smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nnc(Cl)cc1C#N)C2 ZINC001164815704 720090607 /nfs/dbraw/zinc/09/06/07/720090607.db2.gz ZELMUHMCGNTLLB-YJBOKZPZSA-N 1 0 361.877 2.186 20 30 FEEDRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(OC)c(C#N)cc1F)C2 ZINC001164814388 720158397 /nfs/dbraw/zinc/15/83/97/720158397.db2.gz FYRNBHCHXHZGGE-OXQOHEQNSA-N 1 0 374.460 2.286 20 30 FEEDRO Cc1cc(Cl)nc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)c1C#N ZINC001164744947 720622364 /nfs/dbraw/zinc/62/23/64/720622364.db2.gz SJZPNIRRPQRLCP-UONOGXRCSA-N 1 0 370.844 2.047 20 30 FEEDRO COCC[N@@H+]1CCO[C@H]2CN(c3nccc4ccc(C#N)cc43)CC[C@@H]2C1 ZINC001164850142 720849350 /nfs/dbraw/zinc/84/93/50/720849350.db2.gz DMNDERRXXJBIEQ-QUCCMNQESA-N 1 0 366.465 2.280 20 30 FEEDRO COCC[N@@H+]1CCO[C@@H]2CN(c3cc(C#N)c4ccccc4n3)CC[C@@H]2C1 ZINC001164861778 720875153 /nfs/dbraw/zinc/87/51/53/720875153.db2.gz QFVNZQMSECEMHY-OXQOHEQNSA-N 1 0 366.465 2.280 20 30 FEEDRO N#Cc1c(Cl)ccnc1N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164871914 721064640 /nfs/dbraw/zinc/06/46/40/721064640.db2.gz ZQNFCZYMABWXIL-HZPDHXFCSA-N 1 0 369.856 2.481 20 30 FEEDRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4cc(C#N)cc(Cl)n4)C[C@@H]3C2)cn1 ZINC001164766555 721069895 /nfs/dbraw/zinc/06/98/95/721069895.db2.gz KUGYLIRIJBNNLI-HOTGVXAUSA-N 1 0 356.861 2.298 20 30 FEEDRO N#Cc1cc(Cl)cc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164865717 721076552 /nfs/dbraw/zinc/07/65/52/721076552.db2.gz OUXJGDNWONJHOG-ZWKOTPCHSA-N 1 0 369.856 2.481 20 30 FEEDRO N#Cc1cnc2cc[nH]c(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)c1-2 ZINC001164880420 721127702 /nfs/dbraw/zinc/12/77/02/721127702.db2.gz WLENDNSNJJULAX-ROUUACIJSA-N 1 0 374.448 2.309 20 30 FEEDRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ncc(Cl)cc4C#N)C[C@H]3C2)cn1 ZINC001164766849 721177266 /nfs/dbraw/zinc/17/72/66/721177266.db2.gz JHOUGPAKOSHTJO-GOEBONIOSA-N 1 0 356.861 2.298 20 30 FEEDRO Cc1cnc(N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)c(C#N)c1 ZINC001164887180 721386754 /nfs/dbraw/zinc/38/67/54/721386754.db2.gz HHGRTRHEPGNZPW-FPOVZHCZSA-N 1 0 369.513 2.027 20 30 FEEDRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2C(F)(F)c1cc(Cl)nc(C#N)c1 ZINC001164928895 721862403 /nfs/dbraw/zinc/86/24/03/721862403.db2.gz OVOFAXOMCIZCIA-LSDHHAIUSA-N 1 0 369.847 2.366 20 30 FEEDRO Cc1nc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)ccc1C#N ZINC001164973148 722129611 /nfs/dbraw/zinc/12/96/11/722129611.db2.gz BARRXMNAXZPOGE-VQTJNVASSA-N 1 0 363.465 2.384 20 30 FEEDRO Cc1nc(N2CCCn3cnc(COCC[NH+](C)C)c3C2)ccc1CC#N ZINC001165004480 722256618 /nfs/dbraw/zinc/25/66/18/722256618.db2.gz SGCPLZKGWULNGJ-UHFFFAOYSA-N 1 0 368.485 2.141 20 30 FEEDRO CC(C)(CNC(=O)CNc1ccc(C#N)cn1)[N@@H+]1CCc2ccccc2C1 ZINC000497636504 887650217 /nfs/dbraw/zinc/65/02/17/887650217.db2.gz HBRVBPRMSLACAM-UHFFFAOYSA-N 1 0 363.465 2.318 20 30 FEEDRO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N1CC[NH+](CCc2ccccc2)CC1 ZINC000022747557 539698197 /nfs/dbraw/zinc/69/81/97/539698197.db2.gz ITJZECVRQPFHKX-GHTZIAJQSA-N 1 0 356.514 2.290 20 30 FEEDRO N#CCc1ccc(OC[C@H](O)C[NH+]2CCN(c3ccc(O)cc3)CC2)cc1 ZINC000025865910 539771415 /nfs/dbraw/zinc/77/14/15/539771415.db2.gz MHMZLSFNQWSRAS-HXUWFJFHSA-N 1 0 367.449 2.020 20 30 FEEDRO CCCC[N@H+](C)CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000025911850 539772738 /nfs/dbraw/zinc/77/27/38/539772738.db2.gz AHGKMZMKKDUOEZ-UHFFFAOYSA-N 1 0 371.441 2.187 20 30 FEEDRO N#Cc1ccnc(N2CC[NH+](CCC(=O)Nc3cccc(F)c3)CC2)c1 ZINC000025941155 539772937 /nfs/dbraw/zinc/77/29/37/539772937.db2.gz AOYIEPCNUUZSHD-UHFFFAOYSA-N 1 0 353.401 2.243 20 30 FEEDRO N#Cc1ccc(NC(=O)CC[NH+]2CCN(c3cnccn3)CC2)cc1Cl ZINC000026170987 539778905 /nfs/dbraw/zinc/77/89/05/539778905.db2.gz BVKDBHBSIKFQSI-UHFFFAOYSA-N 1 0 370.844 2.152 20 30 FEEDRO C[N@H+](CCC(=O)N1CCN(c2ccccn2)CC1)Cc1cccc(C#N)c1 ZINC000026331415 539783948 /nfs/dbraw/zinc/78/39/48/539783948.db2.gz KZFRCSZOVVOFQR-UHFFFAOYSA-N 1 0 363.465 2.124 20 30 FEEDRO C[NH+]1CCC(C#N)(NC(=O)c2ccccc2I)CC1 ZINC000040221804 540008591 /nfs/dbraw/zinc/00/85/91/540008591.db2.gz MYONXAFLNYFLDD-UHFFFAOYSA-N 1 0 369.206 2.009 20 30 FEEDRO COc1ccc(Br)c(C(=O)NC2(C#N)CC[NH+](C)CC2)c1 ZINC000040221739 540008667 /nfs/dbraw/zinc/00/86/67/540008667.db2.gz PITMGGSMCFFLMV-UHFFFAOYSA-N 1 0 352.232 2.175 20 30 FEEDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)C(=O)Nc2ccc(C#N)cc2)C1 ZINC000041791331 540033551 /nfs/dbraw/zinc/03/35/51/540033551.db2.gz ZPVBHOQJOGIEDR-HZPDHXFCSA-N 1 0 356.470 2.371 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cn(-c2ccccc2)nn1 ZINC000044566204 540131215 /nfs/dbraw/zinc/13/12/15/540131215.db2.gz HHYIBNSPQXBCIB-UHFFFAOYSA-N 1 0 374.448 2.343 20 30 FEEDRO C[C@H]1CCC[N@H+](CCNC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)C1 ZINC000046382098 540254694 /nfs/dbraw/zinc/25/46/94/540254694.db2.gz UADBZADUXNWYGV-SFHVURJKSA-N 1 0 369.513 2.117 20 30 FEEDRO C=CCOc1ccc(C(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)cc1OC ZINC000047434107 540310172 /nfs/dbraw/zinc/31/01/72/540310172.db2.gz GACGSDVUKNUZAA-HZPDHXFCSA-N 1 0 362.470 2.489 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)S(=O)(=O)N1CCCCCC1 ZINC000047281096 540301642 /nfs/dbraw/zinc/30/16/42/540301642.db2.gz VNCJWFCXFSHESD-UHFFFAOYSA-N 1 0 364.515 2.043 20 30 FEEDRO Cc1ccccc1C[N@@H+]1CCCN(CC(=O)N(CCC#N)CCC#N)CC1 ZINC000054989375 540620634 /nfs/dbraw/zinc/62/06/34/540620634.db2.gz LWLFZBLKTJUXGH-UHFFFAOYSA-N 1 0 367.497 2.159 20 30 FEEDRO COc1cc(/C=C/C(=O)N2CC[NH+](CC3CC3)CC2)ccc1OCC#N ZINC000055668392 540669253 /nfs/dbraw/zinc/66/92/53/540669253.db2.gz ZYHYYUJTYPCJFD-FNORWQNLSA-N 1 0 355.438 2.165 20 30 FEEDRO Cc1ccc(C#N)cc1NC(=O)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000057667232 540806364 /nfs/dbraw/zinc/80/63/64/540806364.db2.gz NHPZHSOUEHCKCG-UHFFFAOYSA-N 1 0 350.422 2.183 20 30 FEEDRO C[C@H](CNC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)[N@H+](C)C1CC1 ZINC000076301085 542258514 /nfs/dbraw/zinc/25/85/14/542258514.db2.gz WLOXXJOFBOJKSC-SNVBAGLBSA-N 1 0 368.359 2.114 20 30 FEEDRO C[N@@H+]1CCC[C@@H](CNC(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)C1 ZINC000541097777 541150566 /nfs/dbraw/zinc/15/05/66/541150566.db2.gz DXYNFKWJZGQOBM-AWEZNQCLSA-N 1 0 356.405 2.346 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1ccc(CN2CCCC2=O)cc1 ZINC000064361889 541203133 /nfs/dbraw/zinc/20/31/33/541203133.db2.gz WKMSQUQJGCKIEU-UHFFFAOYSA-N 1 0 356.470 2.117 20 30 FEEDRO C[C@@H](Oc1ccc(C#N)cc1)C(=O)N(C)C1CC[NH+](C2CCOCC2)CC1 ZINC000065040076 541223914 /nfs/dbraw/zinc/22/39/14/541223914.db2.gz GIXBCWINZGHHDA-MRXNPFEDSA-N 1 0 371.481 2.427 20 30 FEEDRO COCC[N@H+](CCCc1ccccc1)CC(=O)N(CCC#N)CCC#N ZINC000065958546 541274893 /nfs/dbraw/zinc/27/48/93/541274893.db2.gz YLTCAASIPAAQGZ-UHFFFAOYSA-N 1 0 356.470 2.224 20 30 FEEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)S(=O)(=O)CCc1ccccc1 ZINC000065975159 541276184 /nfs/dbraw/zinc/27/61/84/541276184.db2.gz ZUSWWLVRNZTGJO-UHFFFAOYSA-N 1 0 371.506 2.494 20 30 FEEDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)C1 ZINC000066241167 541294271 /nfs/dbraw/zinc/29/42/71/541294271.db2.gz LJFBPUZFHXRAGY-OAHLLOKOSA-N 1 0 366.469 2.176 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1cccnc1-n1cncn1)C(C)C ZINC000066669278 541357410 /nfs/dbraw/zinc/35/74/10/541357410.db2.gz OSHWRZOUBBQMNB-KRWDZBQOSA-N 1 0 369.473 2.482 20 30 FEEDRO CNS(=O)(=O)c1cccc(C[NH2+]Cc2ccc(N(C)CCC#N)cc2)c1 ZINC000066988981 541404847 /nfs/dbraw/zinc/40/48/47/541404847.db2.gz LUPSVIKWTNTQHX-UHFFFAOYSA-N 1 0 372.494 2.234 20 30 FEEDRO CCOc1ccc(C#N)cc1NC(=O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000067315992 541443716 /nfs/dbraw/zinc/44/37/16/541443716.db2.gz WCWCVWLAZOYDFK-UHFFFAOYSA-N 1 0 372.469 2.321 20 30 FEEDRO C[C@@H]1C[C@@H](NC(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CC[N@@H+]1C ZINC000542960256 541508927 /nfs/dbraw/zinc/50/89/27/541508927.db2.gz VPSHLDPLGSQGSM-OCCSQVGLSA-N 1 0 356.405 2.487 20 30 FEEDRO CN(C1CC[NH+](CCc2ccccn2)CC1)S(=O)(=O)CCCCC#N ZINC000068907304 541639163 /nfs/dbraw/zinc/63/91/63/541639163.db2.gz NTHOZTGNCSFNKV-UHFFFAOYSA-N 1 0 364.515 2.044 20 30 FEEDRO Cc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000069121726 541659419 /nfs/dbraw/zinc/65/94/19/541659419.db2.gz MIFVDYYYVNZBIL-SFHVURJKSA-N 1 0 364.449 2.094 20 30 FEEDRO N#Cc1cccc(NC(=O)C(=O)N[C@H]2CCC[N@@H+](C3CCCCC3)C2)c1 ZINC000069553921 541696537 /nfs/dbraw/zinc/69/65/37/541696537.db2.gz ABJUSRPASQDTEE-KRWDZBQOSA-N 1 0 354.454 2.410 20 30 FEEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000070880843 541748258 /nfs/dbraw/zinc/74/82/58/541748258.db2.gz VDMUJVCUGNJWFP-UHFFFAOYSA-N 1 0 358.486 2.177 20 30 FEEDRO O=S1(=O)CC[C@@H](CNC(=[NH+]C2CCCC2)N2CCc3ccccc32)C1 ZINC000073025904 541910469 /nfs/dbraw/zinc/91/04/69/541910469.db2.gz KKQMRKULGGFSJJ-HNNXBMFYSA-N 1 0 361.511 2.372 20 30 FEEDRO N#C[C@@H](NC(=O)CC[NH+]1CCN(c2ccccn2)CC1)c1ccccc1F ZINC000073336981 541945290 /nfs/dbraw/zinc/94/52/90/541945290.db2.gz XPGXWFFSCNZZTE-GOSISDBHSA-N 1 0 367.428 2.114 20 30 FEEDRO CN(C)C(=O)C(C)(C)[NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000074286421 542063474 /nfs/dbraw/zinc/06/34/74/542063474.db2.gz ATSYODBZLCVVTC-UHFFFAOYSA-N 1 0 362.499 2.284 20 30 FEEDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCCN(c2ccccc2C#N)CC1 ZINC000074494195 542089814 /nfs/dbraw/zinc/08/98/14/542089814.db2.gz BKIGFOQDRRTHLP-GOSISDBHSA-N 1 0 355.486 2.264 20 30 FEEDRO Cc1ccn2ncc(C(=O)N(CC[NH+](C)C)Cc3cccc(C#N)c3)c2n1 ZINC000074596033 542101815 /nfs/dbraw/zinc/10/18/15/542101815.db2.gz GMYKUMZREADZTP-UHFFFAOYSA-N 1 0 362.437 2.113 20 30 FEEDRO C[NH+](C)Cc1cccc(NC(=O)N2CCN(c3ncccc3C#N)CC2)c1 ZINC000076129803 542235965 /nfs/dbraw/zinc/23/59/65/542235965.db2.gz UUAMDLBUIIZICR-UHFFFAOYSA-N 1 0 364.453 2.369 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cccc(Cl)c2OC)CC1 ZINC000076526450 542288794 /nfs/dbraw/zinc/28/87/94/542288794.db2.gz UZWDGJOBHJYJER-UHFFFAOYSA-N 1 0 351.834 2.054 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N2CCC(Nc3cccc(OC)c3)CC2)CC1 ZINC000077015398 542341907 /nfs/dbraw/zinc/34/19/07/542341907.db2.gz LXLVULOKJJCPMA-UHFFFAOYSA-N 1 0 355.482 2.443 20 30 FEEDRO Cc1cc(C#N)ccc1S(=O)(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000077373228 542373945 /nfs/dbraw/zinc/37/39/45/542373945.db2.gz NBROAQJSEGYBSW-SFHVURJKSA-N 1 0 357.479 2.318 20 30 FEEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000077468631 542385091 /nfs/dbraw/zinc/38/50/91/542385091.db2.gz QKVHZNDMVKZGCJ-CABCVRRESA-N 1 0 361.515 2.448 20 30 FEEDRO C=CCCCN(C)C(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000077594699 542401710 /nfs/dbraw/zinc/40/17/10/542401710.db2.gz QWOINYWNRFSCRA-IBGZPJMESA-N 1 0 372.513 2.492 20 30 FEEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000077817127 542423636 /nfs/dbraw/zinc/42/36/36/542423636.db2.gz WXMWNWDETDSABS-ZIAGYGMSSA-N 1 0 360.483 2.087 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)NCc1c(C)cc(C)[nH]c1=O)C(C)C ZINC000078982583 542492234 /nfs/dbraw/zinc/49/22/34/542492234.db2.gz TUDCKZIUBMTBCV-SFHVURJKSA-N 1 0 360.502 2.490 20 30 FEEDRO C#CCNC(=O)C[NH2+][C@H]1CCN(C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000801951221 674156389 /nfs/dbraw/zinc/15/63/89/674156389.db2.gz SMGYKSBZRVLPRD-WMZOPIPTSA-N 1 0 351.853 2.342 20 30 FEEDRO CCN1CC[NH+](CCCCNC(=O)c2cccc(SCC#N)c2)CC1 ZINC000079527650 542523910 /nfs/dbraw/zinc/52/39/10/542523910.db2.gz IMOGLEUEXBKPDP-UHFFFAOYSA-N 1 0 360.527 2.450 20 30 FEEDRO Cc1cc(-c2noc(CCC(=O)NC3(C#N)CC[NH+](C)CC3)n2)ccc1F ZINC000080349733 542585520 /nfs/dbraw/zinc/58/55/20/542585520.db2.gz KKEUQUZBBMOSIH-UHFFFAOYSA-N 1 0 371.416 2.221 20 30 FEEDRO CC[NH+]1CCN(CC(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)CC1 ZINC000081257198 542641960 /nfs/dbraw/zinc/64/19/60/542641960.db2.gz HOXJYUHZNSJWHK-UHFFFAOYSA-N 1 0 370.375 2.075 20 30 FEEDRO C[N@@H+]1CCCN(C(=O)c2ccccc2NC(=O)C#Cc2ccccc2)CC1 ZINC000081626442 542669220 /nfs/dbraw/zinc/66/92/20/542669220.db2.gz PRKYEFAKXMJQOE-UHFFFAOYSA-N 1 0 361.445 2.455 20 30 FEEDRO C[NH+](C)CCN(CC(=O)OC(C)(C)C)C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 ZINC000081626517 542669482 /nfs/dbraw/zinc/66/94/82/542669482.db2.gz SPSOGASDDGKJRN-ZWKOTPCHSA-N 1 0 371.481 2.394 20 30 FEEDRO CC[NH+](CC)CC#C[C@H](C)OC(=O)c1c(C)nn(C)c1Br ZINC000802113621 674161125 /nfs/dbraw/zinc/16/11/25/674161125.db2.gz ABPQSWLIOKAJSS-NSHDSACASA-N 1 0 356.264 2.382 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)Cc2c[nH]c3c2cccc3C)c1C#N ZINC000089677766 542768110 /nfs/dbraw/zinc/76/81/10/542768110.db2.gz HDMWDZBAXWNRCC-UHFFFAOYSA-N 1 0 350.426 2.404 20 30 FEEDRO C#CCOc1ccc([C@H](C)[NH2+]C2CCN(C(=O)c3cnccn3)CC2)cc1 ZINC000090052691 542781346 /nfs/dbraw/zinc/78/13/46/542781346.db2.gz OTLSCHJYVFNMKK-INIZCTEOSA-N 1 0 364.449 2.444 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N(CC(=O)OC)[C@H](CC)c2ccccc2)CC1 ZINC000090687132 542788568 /nfs/dbraw/zinc/78/85/68/542788568.db2.gz HYSASNMDCLXELI-LJQANCHMSA-N 1 0 356.466 2.485 20 30 FEEDRO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+](C)CCCOc2ccccc2)CC1 ZINC000092617018 542875333 /nfs/dbraw/zinc/87/53/33/542875333.db2.gz MYHBVFYMGLRPOX-HXUWFJFHSA-N 1 0 372.513 2.080 20 30 FEEDRO C=CCNC(=O)NC(=O)C[NH+]1CCC(n2c(CC)nc3ccccc32)CC1 ZINC000093302121 542924685 /nfs/dbraw/zinc/92/46/85/542924685.db2.gz BVGZLWPCJSYAMB-UHFFFAOYSA-N 1 0 369.469 2.247 20 30 FEEDRO C[C@H](C(=O)N(C)CCC#N)[NH+]1CCC(C(=O)Nc2ccc(F)cc2)CC1 ZINC000101917701 543049203 /nfs/dbraw/zinc/04/92/03/543049203.db2.gz NJSDIEYZHJDBJI-CQSZACIVSA-N 1 0 360.433 2.237 20 30 FEEDRO C=CCOc1cccc(NC(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)c1 ZINC000102047002 543056292 /nfs/dbraw/zinc/05/62/92/543056292.db2.gz HHJXUBKBMQXZRP-GOSISDBHSA-N 1 0 374.485 2.316 20 30 FEEDRO COc1ccccc1C[N@H+](CCO)CCC(=O)Nc1ccc(C#N)cc1 ZINC000103144160 543095008 /nfs/dbraw/zinc/09/50/08/543095008.db2.gz HHNPQQQTEYMENV-UHFFFAOYSA-N 1 0 353.422 2.390 20 30 FEEDRO COc1cc[nH+]c(N2CCN(C(=O)CSc3ccc(C#N)cc3)CC2)c1 ZINC000104521534 543133453 /nfs/dbraw/zinc/13/34/53/543133453.db2.gz YDHGFOBMWVDEQG-UHFFFAOYSA-N 1 0 368.462 2.403 20 30 FEEDRO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+](C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000106077207 543190693 /nfs/dbraw/zinc/19/06/93/543190693.db2.gz YVIHEAMOHKSFJP-IAGOWNOFSA-N 1 0 370.501 2.108 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C[C@@H](NC(N)=O)c2ccccc2C)CC1 ZINC000106036746 543186126 /nfs/dbraw/zinc/18/61/26/543186126.db2.gz VBEIHIIEAHMOFS-GOSISDBHSA-N 1 0 358.486 2.251 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)NCCCNC(=O)c2cccs2)CC1 ZINC000106275438 543221742 /nfs/dbraw/zinc/22/17/42/543221742.db2.gz GJSURSYMLLDUMT-UHFFFAOYSA-N 1 0 364.515 2.208 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2COc3c(cccc3OC)C2)CC1 ZINC000106338789 543224241 /nfs/dbraw/zinc/22/42/41/543224241.db2.gz GSXJLXLJHVXQOC-KRWDZBQOSA-N 1 0 359.470 2.338 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(-n3cnnn3)c(C)c2)CC1 ZINC000106319684 543222937 /nfs/dbraw/zinc/22/29/37/543222937.db2.gz QPXJWEDKBMBWAC-UHFFFAOYSA-N 1 0 355.446 2.133 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)NCC[C@@H]2c3ccccc3NC2=O)CC1 ZINC000106329015 543223569 /nfs/dbraw/zinc/22/35/69/543223569.db2.gz PARGMPDYBCKNEP-QGZVFWFLSA-N 1 0 356.470 2.452 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)NCC[C@H]2c3ccccc3NC2=O)CC1 ZINC000106329016 543223673 /nfs/dbraw/zinc/22/36/73/543223673.db2.gz PARGMPDYBCKNEP-KRWDZBQOSA-N 1 0 356.470 2.452 20 30 FEEDRO CC1CC[NH+]([C@@H](CNC(=O)N2CCO[C@@H](C#N)C2)c2ccccc2)CC1 ZINC000106334405 543223982 /nfs/dbraw/zinc/22/39/82/543223982.db2.gz OHLITNYIWHTRMY-OALUTQOASA-N 1 0 356.470 2.394 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc3nc(C)oc3c2)CC1 ZINC000106349321 543224713 /nfs/dbraw/zinc/22/47/13/543224713.db2.gz LOPTXHGOOMZZDO-UHFFFAOYSA-N 1 0 356.426 2.231 20 30 FEEDRO C=CCOc1cccc(NC(=O)C(=O)NC2CC[NH+](CC(=C)C)CC2)c1 ZINC000106348902 543224766 /nfs/dbraw/zinc/22/47/66/543224766.db2.gz DFDRSKCJUDLGST-UHFFFAOYSA-N 1 0 357.454 2.347 20 30 FEEDRO C[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)C1 ZINC000109399729 543324003 /nfs/dbraw/zinc/32/40/03/543324003.db2.gz BPVFMFZLHWTPIT-IAGOWNOFSA-N 1 0 373.476 2.307 20 30 FEEDRO C=CC1CC[NH+](CC(=O)N2CCN(C(=O)Nc3ccccc3)CC2)CC1 ZINC000111257172 543390259 /nfs/dbraw/zinc/39/02/59/543390259.db2.gz DXVJQOZJPKHBTF-UHFFFAOYSA-N 1 0 356.470 2.261 20 30 FEEDRO C=CCOc1ccccc1CNC(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000112297708 543440169 /nfs/dbraw/zinc/44/01/69/543440169.db2.gz BYCRNWNADPRXMO-UHFFFAOYSA-N 1 0 366.465 2.328 20 30 FEEDRO C[C@@H](Nc1ccc(CC[NH+]2CCSCC2)cc1)C(=O)N(C)CCC#N ZINC000112537950 543450882 /nfs/dbraw/zinc/45/08/82/543450882.db2.gz IDPAMULRNVJAJQ-MRXNPFEDSA-N 1 0 360.527 2.450 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CC(=O)N(C)[C@H]2c2ccccc2)CC1 ZINC000112636571 543454884 /nfs/dbraw/zinc/45/48/84/543454884.db2.gz OEUWDKCKGKRIJO-QUCCMNQESA-N 1 0 355.482 2.363 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2ccccc2)CC1 ZINC000112636565 543455129 /nfs/dbraw/zinc/45/51/29/543455129.db2.gz OEUWDKCKGKRIJO-UYAOXDASSA-N 1 0 355.482 2.363 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1cnc2ccc(C)cn2c1=O)C(C)C ZINC000112919824 543468358 /nfs/dbraw/zinc/46/83/58/543468358.db2.gz JHQKPKUMUNSOLE-SFHVURJKSA-N 1 0 368.481 2.431 20 30 FEEDRO Cc1cccc(N2CC[NH+](CCCNC(=O)c3ccc(C#N)nc3)CC2)c1 ZINC000115331176 543560041 /nfs/dbraw/zinc/56/00/41/543560041.db2.gz GODPAXLIVMJMML-UHFFFAOYSA-N 1 0 363.465 2.204 20 30 FEEDRO C[C@@H]1C[NH+](Cc2ccc(CNC(=O)c3ccc(C#N)nc3)cc2)C[C@@H](C)O1 ZINC000115331234 543560290 /nfs/dbraw/zinc/56/02/90/543560290.db2.gz YBOCZLDDVSNPAU-HZPDHXFCSA-N 1 0 364.449 2.492 20 30 FEEDRO CC[NH+](CC)CCNC(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000118094827 543644604 /nfs/dbraw/zinc/64/46/04/543644604.db2.gz JDALDDHXRGMMEB-CQSZACIVSA-N 1 0 362.499 2.477 20 30 FEEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000118104040 543645269 /nfs/dbraw/zinc/64/52/69/543645269.db2.gz CLUBPKPKCIDEQR-ZIAGYGMSSA-N 1 0 360.483 2.230 20 30 FEEDRO C#CCSCCNC(=O)N(C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000121454896 543695103 /nfs/dbraw/zinc/69/51/03/543695103.db2.gz CJGNGYHPEZDCRW-UHFFFAOYSA-N 1 0 360.527 2.096 20 30 FEEDRO CCCn1c(C[NH2+]CCNC(=O)C2N=CC=CC2=O)nc2ccccc21 ZINC000119262149 543665593 /nfs/dbraw/zinc/66/55/93/543665593.db2.gz DISQETTWSZCYEG-VHEBQXMUSA-N 1 0 353.426 2.062 20 30 FEEDRO C=CCCS(=O)(=O)NCc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000119606977 543669838 /nfs/dbraw/zinc/66/98/38/543669838.db2.gz WXSIASVPATUCJG-HZPDHXFCSA-N 1 0 352.500 2.291 20 30 FEEDRO C=CCN1C(=O)c2ccc(C(=O)NC[C@@H]3CC[N@@H+](CC(C)C)C3)cc2C1=O ZINC000119742734 543671398 /nfs/dbraw/zinc/67/13/98/543671398.db2.gz QQWGAXNITUWDND-HNNXBMFYSA-N 1 0 369.465 2.176 20 30 FEEDRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)N1CCO[C@H](C#N)C1 ZINC000121810023 543699847 /nfs/dbraw/zinc/69/98/47/543699847.db2.gz AIGFPZHRSMOJAA-JFIYKMOQSA-N 1 0 356.470 2.077 20 30 FEEDRO C=CCCS(=O)(=O)N[C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000120183702 543677036 /nfs/dbraw/zinc/67/70/36/543677036.db2.gz HTWUKSYWWKUVGY-CQSZACIVSA-N 1 0 355.479 2.134 20 30 FEEDRO N#CCCN(CCC#N)C(=O)CN1CC[C@H](Oc2cccc(Cl)c2)C1 ZINC000120240491 543677361 /nfs/dbraw/zinc/67/73/61/543677361.db2.gz JDFLOAJXQOZRFR-KRWDZBQOSA-N 1 0 360.845 2.449 20 30 FEEDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)Nc3ccc(C(C)(C)C#N)cc3)CC[C@@H]21 ZINC000120317821 543678309 /nfs/dbraw/zinc/67/83/09/543678309.db2.gz IVMOQYVBXKEIQU-QAPCUYQASA-N 1 0 368.481 2.369 20 30 FEEDRO Cn1ccnc1C[C@@H]1CCCN(C(=O)Cc2ccc(OCC#N)cc2)C1 ZINC000120504170 543681112 /nfs/dbraw/zinc/68/11/12/543681112.db2.gz WOWDIGPZOBBZQD-KRWDZBQOSA-N 1 0 352.438 2.346 20 30 FEEDRO C[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(C#N)cc2)C[N@@H+]1Cc1ccccc1 ZINC000122916883 543731445 /nfs/dbraw/zinc/73/14/45/543731445.db2.gz HIQMVCCTWFCYST-HNAYVOBHSA-N 1 0 362.433 2.276 20 30 FEEDRO CC(C)N(C)c1cccc(NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C)c1 ZINC000122150432 543703622 /nfs/dbraw/zinc/70/36/22/543703622.db2.gz ZGKMUNUVUDSMFJ-UHFFFAOYSA-N 1 0 373.501 2.164 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1cccc2c1CCCC2 ZINC000122127803 543703951 /nfs/dbraw/zinc/70/39/51/543703951.db2.gz JGHKQXNDZWLFOO-UHFFFAOYSA-N 1 0 356.470 2.198 20 30 FEEDRO C[C@@]1(O)CCC[N@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC000124616795 543832867 /nfs/dbraw/zinc/83/28/67/543832867.db2.gz MYDNEIXMIPFRIP-QGZVFWFLSA-N 1 0 354.372 2.020 20 30 FEEDRO CN(C(=O)c1ccc(C#N)cn1)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000124880011 543848710 /nfs/dbraw/zinc/84/87/10/543848710.db2.gz MJQFWMQVBKYOOH-UXHICEINSA-N 1 0 369.513 2.362 20 30 FEEDRO C=C(C)CNC(=O)C(=O)Nc1cccc(NC(=O)C[NH+]2CCCCCC2)c1 ZINC000126528853 543941732 /nfs/dbraw/zinc/94/17/32/543941732.db2.gz KIMGOMCERHWGJX-UHFFFAOYSA-N 1 0 372.469 2.132 20 30 FEEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)NCC[NH2+]C(C)(C)C ZINC000127890685 544019482 /nfs/dbraw/zinc/01/94/82/544019482.db2.gz AUVYTBXTOASHLU-CYBMUJFWSA-N 1 0 362.499 2.381 20 30 FEEDRO C[C@H]1C[C@@H](NC(=O)N2CCN(c3cccc(F)c3C#N)CC2)C[N@@H+]1C1CC1 ZINC000127556169 544000219 /nfs/dbraw/zinc/00/02/19/544000219.db2.gz RYAOOKPUEPAEAE-LSDHHAIUSA-N 1 0 371.460 2.154 20 30 FEEDRO CC(C)Cn1ncc2cc(C(=O)N(CCC#N)CCC[NH+](C)C)cnc21 ZINC000130780193 544164317 /nfs/dbraw/zinc/16/43/17/544164317.db2.gz CCDAJCFDQAERJS-UHFFFAOYSA-N 1 0 356.474 2.395 20 30 FEEDRO C[C@@H]1CCC[N@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)[C@@H]1CO ZINC000132815256 544244543 /nfs/dbraw/zinc/24/45/43/544244543.db2.gz QLUOMZJRQDSMJM-RHSMWYFYSA-N 1 0 368.399 2.266 20 30 FEEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)[C@@H](C)C1 ZINC000247503514 549346707 /nfs/dbraw/zinc/34/67/07/549346707.db2.gz VCVGIJZTEGKTMH-BLLLJJGKSA-N 1 0 362.861 2.339 20 30 FEEDRO N#Cc1cc(S(=O)(=O)N2CCC[C@H]2C[NH+]2CCCC2)ccc1Cl ZINC000146232348 544438437 /nfs/dbraw/zinc/43/84/37/544438437.db2.gz HUDMGCNJAAKMOT-AWEZNQCLSA-N 1 0 353.875 2.461 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N2C[C@H](C(=O)OC)C[C@H](c3ccccc3)C2)CC1 ZINC000151413163 544538253 /nfs/dbraw/zinc/53/82/53/544538253.db2.gz HAAOLQBZPVUJAS-VQTJNVASSA-N 1 0 368.477 2.137 20 30 FEEDRO CCN(C[C@@H](C)C#N)C(=O)CN(C)Cc1cc(Br)cn1C ZINC000151490905 544548188 /nfs/dbraw/zinc/54/81/88/544548188.db2.gz XHZUKQQTANTBTH-LBPRGKRZSA-N 1 0 355.280 2.228 20 30 FEEDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2S(=O)(=O)c2ccc(Cl)cc2C#N)C1 ZINC000152888583 544707165 /nfs/dbraw/zinc/70/71/65/544707165.db2.gz BANWSNUAZPTAGN-DOMZBBRYSA-N 1 0 353.875 2.316 20 30 FEEDRO CC(C)N(C(=O)C[N@H+](C)CCCc1[nH]nc(N)c1C#N)c1ccccc1 ZINC000153246450 544751458 /nfs/dbraw/zinc/75/14/58/544751458.db2.gz GSGXGPDFKAQXNR-UHFFFAOYSA-N 1 0 354.458 2.170 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)CSc2nc3ccccc3[nH]2)c1C#N ZINC000153476966 544779818 /nfs/dbraw/zinc/77/98/18/544779818.db2.gz IYMBPAKMAFWPJP-UHFFFAOYSA-N 1 0 369.454 2.040 20 30 FEEDRO N#CCSCC(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000153956734 544845268 /nfs/dbraw/zinc/84/52/68/544845268.db2.gz IIEGARLLZIDFLN-AWEZNQCLSA-N 1 0 353.875 2.383 20 30 FEEDRO N#Cc1ccnc(N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)c1Cl ZINC000553082285 674237798 /nfs/dbraw/zinc/23/77/98/674237798.db2.gz YHXSJBYLGPTDTP-DLBZAZTESA-N 1 0 356.857 2.902 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCC[C@@H](SCC)C2)CC1 ZINC000553329724 674253344 /nfs/dbraw/zinc/25/33/44/674253344.db2.gz OXKMZGLHFOLJHQ-DLBZAZTESA-N 1 0 367.559 2.324 20 30 FEEDRO N#Cc1c(F)cccc1C(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000187584797 328034507 /nfs/dbraw/zinc/03/45/07/328034507.db2.gz AINRDODDPXVMPX-INIZCTEOSA-N 1 0 353.397 2.194 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cn(C(C)(C)C)nn1 ZINC000188884305 328115767 /nfs/dbraw/zinc/11/57/67/328115767.db2.gz YENVLECZUQCRQR-UHFFFAOYSA-N 1 0 354.458 2.109 20 30 FEEDRO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+](C)CC1(O)CCOCC1 ZINC000189753867 328166030 /nfs/dbraw/zinc/16/60/30/328166030.db2.gz YHIOXNMXADIMNM-GFCCVEGCSA-N 1 0 351.834 2.012 20 30 FEEDRO CCO[C@@H]1C[C@@](CO)([NH2+]CC(=O)Nc2sc(C)c(C)c2C#N)C1(C)C ZINC000190012813 328182467 /nfs/dbraw/zinc/18/24/67/328182467.db2.gz FGZAWYGARHMQSF-KDOFPFPSSA-N 1 0 365.499 2.331 20 30 FEEDRO CC(=O)Nc1ccc(C[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 ZINC000192244020 328308662 /nfs/dbraw/zinc/30/86/62/328308662.db2.gz ILYMJRYGFJVIMH-FQEVSTJZSA-N 1 0 362.433 2.407 20 30 FEEDRO Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+](C)[C@H]3CCCC[C@@H]3C)CC2)o1 ZINC000192846641 328343252 /nfs/dbraw/zinc/34/32/52/328343252.db2.gz FGGVTZAXEBVCQR-YOEHRIQHSA-N 1 0 359.474 2.014 20 30 FEEDRO C[C@@H](O)C[N@@H+]1CCN(Cc2cc(C#N)ccc2Br)[C@@H](C)C1 ZINC000192819595 328341190 /nfs/dbraw/zinc/34/11/90/328341190.db2.gz BDYUCAPOOFQKFX-QWHCGFSZSA-N 1 0 352.276 2.208 20 30 FEEDRO CC(C)(C)[NH+]1CCC(NC(=O)N2CCN(c3ncccc3C#N)CC2)CC1 ZINC000193846915 328398864 /nfs/dbraw/zinc/39/88/64/328398864.db2.gz VPLIWSFQPNFOOF-UHFFFAOYSA-N 1 0 370.501 2.048 20 30 FEEDRO N#Cc1ccc(N2CC[NH+](CCc3nc(-c4ccccc4)no3)CC2)nc1 ZINC000077269061 324983186 /nfs/dbraw/zinc/98/31/86/324983186.db2.gz SCRBCZWVOOCCPQ-UHFFFAOYSA-N 1 0 360.421 2.368 20 30 FEEDRO CCOc1ccc(C#N)cc1NC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000078523021 325049736 /nfs/dbraw/zinc/04/97/36/325049736.db2.gz WPLRUPZWSFWMAO-MRXNPFEDSA-N 1 0 358.442 2.143 20 30 FEEDRO CC[NH+]1CCN(c2ccc(CNC(=O)Nc3ccc(C#N)cc3)cn2)CC1 ZINC000079217862 325081665 /nfs/dbraw/zinc/08/16/65/325081665.db2.gz DDMADZFAVRCCRU-UHFFFAOYSA-N 1 0 364.453 2.417 20 30 FEEDRO COC[C@@](C)(CCO)[NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000079928934 325110429 /nfs/dbraw/zinc/11/04/29/325110429.db2.gz NBLRMJQZHNFMHZ-GOSISDBHSA-N 1 0 365.499 2.204 20 30 FEEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000081289770 325167507 /nfs/dbraw/zinc/16/75/07/325167507.db2.gz VEPYDNIFAJOGBG-KRWDZBQOSA-N 1 0 370.497 2.177 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2cnn(-c3ccccc3F)c2)c1C#N ZINC000089663233 325326179 /nfs/dbraw/zinc/32/61/79/325326179.db2.gz QZIHAMVATLNBGB-UHFFFAOYSA-N 1 0 367.388 2.010 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(C(F)(F)F)nc2)c1C#N ZINC000089661769 325326209 /nfs/dbraw/zinc/32/62/09/325326209.db2.gz MEIFKMCUYXUROD-UHFFFAOYSA-N 1 0 352.320 2.099 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)COc2cccc(Cl)c2C)c1C#N ZINC000089675643 325326614 /nfs/dbraw/zinc/32/66/14/325326614.db2.gz XVZOINZYWFJKFE-UHFFFAOYSA-N 1 0 361.833 2.413 20 30 FEEDRO CCn1c(C[N@H+](C)CCCc2[nH]nc(N)c2C#N)nc2c1cccc2F ZINC000089942665 325343649 /nfs/dbraw/zinc/34/36/49/325343649.db2.gz RCMITPVIUNNLQA-UHFFFAOYSA-N 1 0 355.421 2.437 20 30 FEEDRO CC[C@@H](C(=O)Nc1ccc(OC)cc1)[N@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000089943647 325343712 /nfs/dbraw/zinc/34/37/12/325343712.db2.gz IMVHFZRWODXVFE-KRWDZBQOSA-N 1 0 370.457 2.154 20 30 FEEDRO Cc1cccc(NC(=O)[C@@H](C)[N@H+](C)CCCc2[nH]nc(N)c2C#N)c1C ZINC000089942463 325344016 /nfs/dbraw/zinc/34/40/16/325344016.db2.gz ZEXXUJNCUIHHQH-CQSZACIVSA-N 1 0 354.458 2.372 20 30 FEEDRO C[NH+](C)[C@H]1CCCN(C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)C1 ZINC000092423698 325415082 /nfs/dbraw/zinc/41/50/82/325415082.db2.gz LVYGDRZPUIXWRC-ADKAHSJRSA-N 1 0 371.485 2.379 20 30 FEEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000097258588 325460288 /nfs/dbraw/zinc/46/02/88/325460288.db2.gz DPRHNKYEJYBFLD-OAHLLOKOSA-N 1 0 372.469 2.275 20 30 FEEDRO C[NH+](C)CCC(=O)Nc1ccc(NS(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000107061994 325618970 /nfs/dbraw/zinc/61/89/70/325618970.db2.gz UYCCWGABZYENSV-UHFFFAOYSA-N 1 0 372.450 2.249 20 30 FEEDRO Cc1cccc(N2CC[NH+](CCCNC(=O)c3ccc(C#N)cn3)CC2)c1 ZINC000107552024 325630022 /nfs/dbraw/zinc/63/00/22/325630022.db2.gz DOVFUUUSPGDXJW-UHFFFAOYSA-N 1 0 363.465 2.204 20 30 FEEDRO C[C@H](NC(=O)CNC(=O)c1ccc(C#N)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000119859698 326205695 /nfs/dbraw/zinc/20/56/95/326205695.db2.gz UWRKFXJNNWYSHC-YJBOKZPZSA-N 1 0 368.481 2.057 20 30 FEEDRO CN1CCC([NH+]2CCC(NC(=O)Nc3ccc(F)cc3C#N)CC2)CC1 ZINC000120246929 326243850 /nfs/dbraw/zinc/24/38/50/326243850.db2.gz XTCJBQHXAZOXDQ-UHFFFAOYSA-N 1 0 359.449 2.377 20 30 FEEDRO CCC[C@@H]1CN(CCC(=O)Nc2sccc2C#N)CC[N@@H+]1CCOC ZINC000121706711 326360029 /nfs/dbraw/zinc/36/00/29/326360029.db2.gz MWVGVRZARTUYNL-MRXNPFEDSA-N 1 0 364.515 2.381 20 30 FEEDRO C[N@@H+]1CCC[C@H]2CN(S(=O)(=O)c3ccc(C#N)c(Cl)c3)CC[C@@H]21 ZINC000122438257 326396815 /nfs/dbraw/zinc/39/68/15/326396815.db2.gz BTOPUOIAJNHKPN-BBRMVZONSA-N 1 0 353.875 2.316 20 30 FEEDRO C[NH+](C)CCOc1cc(CNC(=O)/C=C/c2cccc(C#N)c2)ccn1 ZINC000124112173 326447807 /nfs/dbraw/zinc/44/78/07/326447807.db2.gz XBEZNFOKXHADJB-VOTSOKGWSA-N 1 0 350.422 2.223 20 30 FEEDRO C[NH+]1CCC(N(Cc2ccco2)S(=O)(=O)c2ccccc2C#N)CC1 ZINC000130762583 326562777 /nfs/dbraw/zinc/56/27/77/326562777.db2.gz SHGPMBNFGZGQKK-UHFFFAOYSA-N 1 0 359.451 2.436 20 30 FEEDRO C[C@@H](Oc1ccccc1C#N)C(=O)N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000158333670 326892482 /nfs/dbraw/zinc/89/24/82/326892482.db2.gz WEPCVMRGPQUMCF-IEBWSBKVSA-N 1 0 371.481 2.429 20 30 FEEDRO COc1cc(C#N)ccc1OCC[N@@H+]1CC[C@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000162996357 327040026 /nfs/dbraw/zinc/04/00/26/327040026.db2.gz KWBPTZWCILVFAH-AEFFLSMTSA-N 1 0 369.465 2.421 20 30 FEEDRO CC[C@@H]1CN(C(=O)C(C)(C)Oc2ccc(C#N)cc2)CC[N@@H+]1C[C@@H](C)O ZINC000163400873 327050580 /nfs/dbraw/zinc/05/05/80/327050580.db2.gz WHVFVSNYEFSVJR-NVXWUHKLSA-N 1 0 359.470 2.019 20 30 FEEDRO C[NH+]1CCN(CCNC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)CC1 ZINC000171487058 327142382 /nfs/dbraw/zinc/14/23/82/327142382.db2.gz PHLOSBBCBWXJPX-UHFFFAOYSA-N 1 0 364.449 2.328 20 30 FEEDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)NCc2ccc(C#N)cc2)[C@H](C)C1 ZINC000172079693 327179782 /nfs/dbraw/zinc/17/97/82/327179782.db2.gz WWRDHAMQQFVXAS-APWZRJJASA-N 1 0 358.486 2.494 20 30 FEEDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)C1 ZINC000173612865 327271245 /nfs/dbraw/zinc/27/12/45/327271245.db2.gz QUMDAPDODZXAOG-ZDUSSCGKSA-N 1 0 362.861 2.340 20 30 FEEDRO N#Cc1ccc(-c2nnc(CN3CCCC[C@H]3CN3CCOCC3)o2)cc1 ZINC000174173745 327310608 /nfs/dbraw/zinc/31/06/08/327310608.db2.gz SUBKOWAJTVHLJX-SFHVURJKSA-N 1 0 367.453 2.295 20 30 FEEDRO Cc1cccc(NC(=O)C(=O)NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)c1C#N ZINC000174767834 327349601 /nfs/dbraw/zinc/34/96/01/327349601.db2.gz BLYRBPAUYYWDGZ-JLTOFOAXSA-N 1 0 356.470 2.432 20 30 FEEDRO C[C@@H](NS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1)[C@@H]1CCC[NH2+]C1 ZINC000261972612 328832685 /nfs/dbraw/zinc/83/26/85/328832685.db2.gz BPHQBGHAOQBDMW-GHMZBOCLSA-N 1 0 361.389 2.243 20 30 FEEDRO C[C@@H](NS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1)[C@H]1CCC[NH2+]C1 ZINC000261972615 328832722 /nfs/dbraw/zinc/83/27/22/328832722.db2.gz BPHQBGHAOQBDMW-MNOVXSKESA-N 1 0 361.389 2.243 20 30 FEEDRO C[NH+](C)CCOc1ccc(CCNC(=O)COc2ccccc2C#N)cc1 ZINC000264173151 328997054 /nfs/dbraw/zinc/99/70/54/328997054.db2.gz CRNIYPOFWOFTAZ-UHFFFAOYSA-N 1 0 367.449 2.236 20 30 FEEDRO N#Cc1ccc(N2CCC([NH2+][C@@H]3CCN(CC(F)(F)F)C3=O)CC2)cc1 ZINC000265118100 329092803 /nfs/dbraw/zinc/09/28/03/329092803.db2.gz CQGIVTGWVNFWNB-MRXNPFEDSA-N 1 0 366.387 2.280 20 30 FEEDRO COc1cc(C#N)ccc1OCCN1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000265853489 329166562 /nfs/dbraw/zinc/16/65/62/329166562.db2.gz QNBOXWLMEPCVLG-IBGZPJMESA-N 1 0 372.513 2.048 20 30 FEEDRO COc1cc(C#N)ccc1OCCN1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000265853492 329166589 /nfs/dbraw/zinc/16/65/89/329166589.db2.gz QNBOXWLMEPCVLG-LJQANCHMSA-N 1 0 372.513 2.048 20 30 FEEDRO N#Cc1ccc(N2CCC[C@H]([NH+]3CCC(CCC(N)=O)CC3)C2=O)cc1 ZINC000272600434 329795907 /nfs/dbraw/zinc/79/59/07/329795907.db2.gz YMNSUYOETGIANT-SFHVURJKSA-N 1 0 354.454 2.031 20 30 FEEDRO C[C@]1([NH2+]CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CCO[C@H]1C1CC1 ZINC000273007841 329829558 /nfs/dbraw/zinc/82/95/58/329829558.db2.gz BKWVOFHEESNCLC-ICSRJNTNSA-N 1 0 365.437 2.230 20 30 FEEDRO Cc1ccnc(N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)c1C#N ZINC000273286872 329852775 /nfs/dbraw/zinc/85/27/75/329852775.db2.gz FBARLBFUNVFQAH-UHFFFAOYSA-N 1 0 355.486 2.080 20 30 FEEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[NH2+][C@H](C)[C@H](C)CO)c1C#N ZINC000273951470 329905026 /nfs/dbraw/zinc/90/50/26/329905026.db2.gz FMWLIFHUQLFJRC-TZMCWYRMSA-N 1 0 358.442 2.163 20 30 FEEDRO CN(C)C(=O)CC[NH+]1CCN(c2cc(C#N)ccc2C(F)(F)F)CC1 ZINC000274713779 329973488 /nfs/dbraw/zinc/97/34/88/329973488.db2.gz VOCLVOKBLBUMIZ-UHFFFAOYSA-N 1 0 354.376 2.177 20 30 FEEDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)Nc2ccc(C#N)cc2Cl)C1 ZINC000275888809 330100269 /nfs/dbraw/zinc/10/02/69/330100269.db2.gz FJQHPLKPGPCPDH-BBRMVZONSA-N 1 0 360.845 2.093 20 30 FEEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000294190295 330191288 /nfs/dbraw/zinc/19/12/88/330191288.db2.gz PLYRIODDGSWDSL-HXUWFJFHSA-N 1 0 356.470 2.153 20 30 FEEDRO N#Cc1ccc(OCCNC(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)cc1 ZINC000361448583 330204191 /nfs/dbraw/zinc/20/41/91/330204191.db2.gz BAITVGLYNVHFDX-WDSOQIARSA-N 1 0 354.454 2.063 20 30 FEEDRO CC[C@@](C)([NH2+]CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2)C(N)=O ZINC000411382649 330256493 /nfs/dbraw/zinc/25/64/93/330256493.db2.gz CSDMJBNVYLOCMO-ADLMAVQZSA-N 1 0 362.499 2.317 20 30 FEEDRO CCN(CCC#N)S(=O)(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000554534144 674322439 /nfs/dbraw/zinc/32/24/39/674322439.db2.gz MTXNJRDSPASDBE-HNNXBMFYSA-N 1 0 358.895 2.013 20 30 FEEDRO CC(C)[N@H+](C)C[C@H](C)NS(=O)(=O)c1cccc(Br)c1C#N ZINC000554912896 674341103 /nfs/dbraw/zinc/34/11/03/674341103.db2.gz OCHOFBJFFMDPNK-NSHDSACASA-N 1 0 374.304 2.328 20 30 FEEDRO Cc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000155499206 545533666 /nfs/dbraw/zinc/53/36/66/545533666.db2.gz NBGUAQDXOIXQFA-KRWDZBQOSA-N 1 0 356.470 2.289 20 30 FEEDRO C=CCN1C(=O)c2ccc(C(=O)N[C@H](C[NH3+])C3CCCCC3)cc2C1=O ZINC000155607602 545548223 /nfs/dbraw/zinc/54/82/23/545548223.db2.gz PPQNYOBGEWVSEH-QGZVFWFLSA-N 1 0 355.438 2.106 20 30 FEEDRO Cc1cnn(CCCCC[N@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)c1 ZINC000155688756 545559438 /nfs/dbraw/zinc/55/94/38/545559438.db2.gz XRJGUVDTZVWEFP-KRWDZBQOSA-N 1 0 353.474 2.234 20 30 FEEDRO N#Cc1ccc(NCC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)nc1 ZINC000497667896 538777716 /nfs/dbraw/zinc/77/77/16/538777716.db2.gz KWCIQMKRLAMGMZ-UHFFFAOYSA-N 1 0 367.428 2.285 20 30 FEEDRO C#Cc1cccc(NC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000156026578 545593251 /nfs/dbraw/zinc/59/32/51/545593251.db2.gz CJLDOOFQDXXOLB-QFBILLFUSA-N 1 0 351.450 2.082 20 30 FEEDRO N#Cc1cccc(S(=O)(=O)CCN2CCC[C@H]2C[NH+]2CCCCC2)c1 ZINC000156717935 545652460 /nfs/dbraw/zinc/65/24/60/545652460.db2.gz OCZDISAHLBKYCN-SFHVURJKSA-N 1 0 361.511 2.282 20 30 FEEDRO N#Cc1cccc(S(=O)(=O)CCN2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000156791065 545661198 /nfs/dbraw/zinc/66/11/98/545661198.db2.gz JWYBVGAUBCZPHM-SFHVURJKSA-N 1 0 361.511 2.140 20 30 FEEDRO CN1CCN(CCS(=O)(=O)c2cccc(C#N)c2)C2(CCCCC2)C1 ZINC000156829290 545666425 /nfs/dbraw/zinc/66/64/25/545666425.db2.gz BZZAXAXZDZWRLZ-UHFFFAOYSA-N 1 0 361.511 2.282 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)CCN1c2ccccc2CCC1=O ZINC000157181094 545709761 /nfs/dbraw/zinc/70/97/61/545709761.db2.gz SRMPKCLNPLMGNG-UHFFFAOYSA-N 1 0 356.470 2.050 20 30 FEEDRO C=CCN(C[C@@H](O)c1ccccc1Br)[C@@H]1CCS(=O)(=O)C1 ZINC000157254178 545719506 /nfs/dbraw/zinc/71/95/06/545719506.db2.gz XQQOPCRWFOVXPC-IUODEOHRSA-N 1 0 374.300 2.158 20 30 FEEDRO CN(CCO[NH+]=C(N)c1ccc(N2CCC(O)CC2)cc1)c1ccccc1 ZINC000159222299 545932857 /nfs/dbraw/zinc/93/28/57/545932857.db2.gz RSKJVMDEBPCVAA-UHFFFAOYSA-N 1 0 368.481 2.421 20 30 FEEDRO N#Cc1ccc(OCC(=O)N2CC[C@H](OCC[NH+]3CCCCC3)C2)cc1 ZINC000159588248 545965313 /nfs/dbraw/zinc/96/53/13/545965313.db2.gz PAMQMIYZMYQXPE-IBGZPJMESA-N 1 0 357.454 2.040 20 30 FEEDRO CO/N=C/c1ccc(C(=O)NC[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)cc1 ZINC000160627885 546057992 /nfs/dbraw/zinc/05/79/92/546057992.db2.gz BWXXUKOTZGDTIP-LGCLYSGLSA-N 1 0 367.449 2.032 20 30 FEEDRO CC1CC[NH+](C[C@H](O)CNC(=O)N[C@@H](CCC#N)c2ccccc2)CC1 ZINC000160676031 546062627 /nfs/dbraw/zinc/06/26/27/546062627.db2.gz HZTUFZJQPYFIEI-MOPGFXCFSA-N 1 0 358.486 2.423 20 30 FEEDRO CN(CC(=O)N(CCC#N)c1cccc(Cl)c1)[C@@H]1CCCCNC1=O ZINC000162351255 546138942 /nfs/dbraw/zinc/13/89/42/546138942.db2.gz NHORLCCHCPOBRU-MRXNPFEDSA-N 1 0 362.861 2.187 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N2CCCc3cc(C(=O)OCC)ccc32)CC1 ZINC000162634833 546141418 /nfs/dbraw/zinc/14/14/18/546141418.db2.gz ADBLGZXIJPPQJV-UHFFFAOYSA-N 1 0 354.450 2.488 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)Nc2c(C)nn(C)c2Oc2cccnc2)CC1 ZINC000170769439 546175268 /nfs/dbraw/zinc/17/52/68/546175268.db2.gz VGXMAFTYECQCSJ-UHFFFAOYSA-N 1 0 353.426 2.200 20 30 FEEDRO CCOC(=O)N1CCC(NC(=[NH2+])NC[C@@H]2CCN(C)c3ccccc32)CC1 ZINC000170907776 546181541 /nfs/dbraw/zinc/18/15/41/546181541.db2.gz ROHKLKTWIKIECQ-HNNXBMFYSA-N 1 0 373.501 2.135 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc3ncsc3c2)CC1 ZINC000171621133 546216243 /nfs/dbraw/zinc/21/62/43/546216243.db2.gz RMUALJKVQDNMQM-UHFFFAOYSA-N 1 0 358.467 2.392 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(C)c(OC)c2C)CC1 ZINC000171621215 546216372 /nfs/dbraw/zinc/21/63/72/546216372.db2.gz UWSKKQCHOCUARN-UHFFFAOYSA-N 1 0 359.470 2.407 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000171717418 546220470 /nfs/dbraw/zinc/22/04/70/546220470.db2.gz XZXPICXTHDLFHO-UHFFFAOYSA-N 1 0 355.398 2.161 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)Cc2csc(NC(=O)C(C)C)n2)CC1 ZINC000171718035 546220947 /nfs/dbraw/zinc/22/09/47/546220947.db2.gz HSRCMIKGQDMEPE-UHFFFAOYSA-N 1 0 350.488 2.047 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(OC(F)F)c(F)c2)CC1 ZINC000173271746 546277136 /nfs/dbraw/zinc/27/71/36/546277136.db2.gz WFZJOLHOFUJWOU-UHFFFAOYSA-N 1 0 371.359 2.132 20 30 FEEDRO C#CCCCNC(=O)N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000174086924 546291565 /nfs/dbraw/zinc/29/15/65/546291565.db2.gz XNEDRLTXYOYTHW-IBGZPJMESA-N 1 0 369.513 2.039 20 30 FEEDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3cc(C#N)c[nH]3)cc2F)CC1 ZINC000175594571 546316838 /nfs/dbraw/zinc/31/68/38/546316838.db2.gz KZJUPMRXRRXWBS-UHFFFAOYSA-N 1 0 355.417 2.097 20 30 FEEDRO C[C@H]1C[NH+](CCC2CCN(S(=O)(=O)CCCCC#N)CC2)C[C@H](C)O1 ZINC000175664941 546330355 /nfs/dbraw/zinc/33/03/55/546330355.db2.gz YWIJOKUWEZOMKG-IRXDYDNUSA-N 1 0 371.547 2.221 20 30 FEEDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)Nc2ccc(F)cc2C#N)C1 ZINC000175967702 546382146 /nfs/dbraw/zinc/38/21/46/546382146.db2.gz MQKVWJSUXKPLLE-CYBMUJFWSA-N 1 0 360.433 2.263 20 30 FEEDRO CCN(C[C@@H]1CC[N@H+](CC(=O)N[C@@](C)(C#N)C2CC2)C1)CC(F)(F)F ZINC000176397774 546440604 /nfs/dbraw/zinc/44/06/04/546440604.db2.gz XFLBQNIYVHRDDS-BBRMVZONSA-N 1 0 360.424 2.001 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)NCc2nccn2CCCc2ccccc2)CC1 ZINC000176509908 546455513 /nfs/dbraw/zinc/45/55/13/546455513.db2.gz MJNPBPOXKQITAY-UHFFFAOYSA-N 1 0 364.493 2.477 20 30 FEEDRO N#C[C@H](NC(=O)CC[NH+]1CCN(c2ccccn2)CC1)C1CCCCC1 ZINC000176583393 546464087 /nfs/dbraw/zinc/46/40/87/546464087.db2.gz WEZHDKXNIDKUIU-SFHVURJKSA-N 1 0 355.486 2.182 20 30 FEEDRO C[NH+]1CCC([C@H]2CCN(S(=O)(=O)Cc3ccc(C#N)cc3F)C2)CC1 ZINC000480722856 561215169 /nfs/dbraw/zinc/21/51/69/561215169.db2.gz QKFXSRBLDOKKAU-INIZCTEOSA-N 1 0 365.474 2.191 20 30 FEEDRO CC(C)(CNS(=O)(=O)Cc1cc(C#N)ccc1F)C[NH+]1CCCC1 ZINC000480761566 561216208 /nfs/dbraw/zinc/21/62/08/561216208.db2.gz SVBIECSTYICUAF-UHFFFAOYSA-N 1 0 353.463 2.239 20 30 FEEDRO N#CCCn1ccc(NC(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)n1 ZINC000177863143 546697702 /nfs/dbraw/zinc/69/77/02/546697702.db2.gz ARWZCSNULCTCHM-UHFFFAOYSA-N 1 0 374.489 2.201 20 30 FEEDRO CN(C(=O)c1cc(C#N)cn1C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000178928925 546874791 /nfs/dbraw/zinc/87/47/91/546874791.db2.gz YQJQQWQXPIQEQS-RTBURBONSA-N 1 0 371.529 2.306 20 30 FEEDRO CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH2+]C2(c3cccc(F)c3)CC2)CC1 ZINC000179692313 546998906 /nfs/dbraw/zinc/99/89/06/546998906.db2.gz IIJIHEZMUCZGAR-GOSISDBHSA-N 1 0 358.461 2.097 20 30 FEEDRO CC(C)[C@@H](CNC(=O)Nc1ccccc1O[C@@H](C)C#N)[NH+]1CCN(C)CC1 ZINC000180081900 547049225 /nfs/dbraw/zinc/04/92/25/547049225.db2.gz NTOFQUJCDSLQRE-FUHWJXTLSA-N 1 0 373.501 2.371 20 30 FEEDRO Cn1cc(C[NH2+]CCn2c3ccccc3[nH]c2=O)c(-c2ccc(C#N)cc2)n1 ZINC000180282057 547078264 /nfs/dbraw/zinc/07/82/64/547078264.db2.gz HALJKFXGQDPEGL-UHFFFAOYSA-N 1 0 372.432 2.392 20 30 FEEDRO C#CCOc1ccc(C[NH2+]CCOc2ccc(NS(C)(=O)=O)cc2)cc1 ZINC000180350930 547089161 /nfs/dbraw/zinc/08/91/61/547089161.db2.gz NTQWZXKPDWLVFW-UHFFFAOYSA-N 1 0 374.462 2.239 20 30 FEEDRO N#Cc1ccc(CN2CC[NH+](C[C@H]3CCOC3)CC2)c(Br)c1 ZINC000181138319 547256714 /nfs/dbraw/zinc/25/67/14/547256714.db2.gz QYEGFQRRYAMPMY-OAHLLOKOSA-N 1 0 364.287 2.475 20 30 FEEDRO C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)c3c[nH]c(C#N)c3)cc2)C[C@H](C)O1 ZINC000181204854 547269375 /nfs/dbraw/zinc/26/93/75/547269375.db2.gz AHADTHMYXIUKJL-GASCZTMLSA-N 1 0 352.438 2.426 20 30 FEEDRO C[NH+](C)CCNC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 ZINC000181504458 547324432 /nfs/dbraw/zinc/32/44/32/547324432.db2.gz IRIVWRZZOVYMEK-UHFFFAOYSA-N 1 0 362.484 2.385 20 30 FEEDRO CNC(=O)C[C@@H]([NH2+]CC(=O)N(C)C1(C#N)CCCCC1)c1ccccc1 ZINC000483401867 561276004 /nfs/dbraw/zinc/27/60/04/561276004.db2.gz FFQHDKSEFCITEN-QGZVFWFLSA-N 1 0 356.470 2.138 20 30 FEEDRO CC(C)[C@H](CNC(=O)C(=O)Nc1ccccc1O[C@H](C)C#N)[NH+]1CCCC1 ZINC000181737388 547370330 /nfs/dbraw/zinc/37/03/30/547370330.db2.gz XOAUGTNUVVLEPT-WBVHZDCISA-N 1 0 372.469 2.153 20 30 FEEDRO C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000181742480 547371253 /nfs/dbraw/zinc/37/12/53/547371253.db2.gz BKRNEWUZYIDOQR-HZPDHXFCSA-N 1 0 372.469 2.154 20 30 FEEDRO CN(C)C1(C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CCOCC1 ZINC000181751067 547374589 /nfs/dbraw/zinc/37/45/89/547374589.db2.gz IEHCMFTZZCLMFA-UHFFFAOYSA-N 1 0 356.514 2.223 20 30 FEEDRO C=C(C)COc1cc(C[NH2+]C[C@H]2CC[C@@H](C(=O)N(C)C)O2)ccc1OC ZINC000182041234 547427629 /nfs/dbraw/zinc/42/76/29/547427629.db2.gz VKGRVEYKBFLFNH-AEFFLSMTSA-N 1 0 362.470 2.376 20 30 FEEDRO C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000182145825 547444299 /nfs/dbraw/zinc/44/42/99/547444299.db2.gz SMGFLROBJKDAIC-JKSUJKDBSA-N 1 0 372.469 2.297 20 30 FEEDRO CC[C@H]1CC[N@H+](CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)C1 ZINC000182843676 547560771 /nfs/dbraw/zinc/56/07/71/547560771.db2.gz SYBPTQYLERBKEK-LPHOPBHVSA-N 1 0 358.461 2.266 20 30 FEEDRO COc1c(C)cnc(C[NH+]2CCC(N(C)C(=O)NC[C@H](C)C#N)CC2)c1C ZINC000182868136 547563936 /nfs/dbraw/zinc/56/39/36/547563936.db2.gz CKIWUEPVSYWYAW-CQSZACIVSA-N 1 0 373.501 2.473 20 30 FEEDRO COCC1(C#N)CCN(C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)CC1 ZINC000484297405 561295701 /nfs/dbraw/zinc/29/57/01/561295701.db2.gz QGNQIYXVUVWCPT-GOSISDBHSA-N 1 0 358.486 2.121 20 30 FEEDRO COc1cccc([C@@H]2[C@@H](NC(=O)C3(C#N)CCOCC3)CC[N@@H+]2C2CC2)c1 ZINC000183266243 547630071 /nfs/dbraw/zinc/63/00/71/547630071.db2.gz QXJBJRZXPITBAW-RBUKOAKNSA-N 1 0 369.465 2.410 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@H]1CCOC[C@H]1OCC ZINC000484637703 561301849 /nfs/dbraw/zinc/30/18/49/561301849.db2.gz HLCMEAYGDVXETF-BHYGNILZSA-N 1 0 352.500 2.435 20 30 FEEDRO CC(C)[NH2+]C1CCN(C(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1 ZINC000184575608 547849313 /nfs/dbraw/zinc/84/93/13/547849313.db2.gz CGRUJZFMSNSNHP-UHFFFAOYSA-N 1 0 353.430 2.133 20 30 FEEDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000184602379 547851944 /nfs/dbraw/zinc/85/19/44/547851944.db2.gz ATFZXXZBFSYSOJ-HUUCEWRRSA-N 1 0 367.457 2.381 20 30 FEEDRO C=CCC[C@H](C)[NH2+]Cc1ccccc1CS(=O)(=O)N1CCOCC1 ZINC000185015981 547918162 /nfs/dbraw/zinc/91/81/62/547918162.db2.gz AFRXWULRKSKCGJ-INIZCTEOSA-N 1 0 352.500 2.293 20 30 FEEDRO CC[N@H+](CCO)CCNC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000185416390 547981997 /nfs/dbraw/zinc/98/19/97/547981997.db2.gz BHOXRBZGCJABED-AWEZNQCLSA-N 1 0 350.488 2.374 20 30 FEEDRO C#CCC(C)(C)C(=O)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000185725193 548025507 /nfs/dbraw/zinc/02/55/07/548025507.db2.gz KXTCJEDSMAEGCR-GOSISDBHSA-N 1 0 355.482 2.050 20 30 FEEDRO COc1cc(C#N)ccc1S(=O)(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000185786173 548035418 /nfs/dbraw/zinc/03/54/18/548035418.db2.gz VRNRPQKIEZUNQR-OAHLLOKOSA-N 1 0 351.472 2.062 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C[C@H](O)Cc1ccccc1 ZINC000485791371 561328158 /nfs/dbraw/zinc/32/81/58/561328158.db2.gz SNPWFBNQJOVEHE-OAQYLSRUSA-N 1 0 365.477 2.442 20 30 FEEDRO C=CCNC(=O)c1ccc(NC(=O)Nc2ccn(CC[NH+](C)C)n2)cc1 ZINC000186569242 548153669 /nfs/dbraw/zinc/15/36/69/548153669.db2.gz SPLIATWWWAEZHS-UHFFFAOYSA-N 1 0 356.430 2.005 20 30 FEEDRO C[NH+](C)[C@@H](CNC(=O)N1CCO[C@H](C#N)C1)c1cccc(C(F)(F)F)c1 ZINC000187468220 548257485 /nfs/dbraw/zinc/25/74/85/548257485.db2.gz QYZNUZCFMQBMMP-CABCVRRESA-N 1 0 370.375 2.242 20 30 FEEDRO C#CCOc1ccccc1NC(=O)NC[C@@H](C)C[NH+]1CCN(CC)CC1 ZINC000188036333 548269826 /nfs/dbraw/zinc/26/98/26/548269826.db2.gz VVQUMLJOFBKQOS-QGZVFWFLSA-N 1 0 358.486 2.094 20 30 FEEDRO C=C[C@](C)(CCOC)C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000188242047 548275246 /nfs/dbraw/zinc/27/52/46/548275246.db2.gz SYLYULBYSKTMSU-OAQYLSRUSA-N 1 0 360.498 2.488 20 30 FEEDRO CCN(C[C@@H](C)C#N)C(=O)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000189135887 548296722 /nfs/dbraw/zinc/29/67/22/548296722.db2.gz GTINPVAQUNBPRC-INIZCTEOSA-N 1 0 356.470 2.272 20 30 FEEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CC[NH+]2CCC1CC2 ZINC000189805807 548312395 /nfs/dbraw/zinc/31/23/95/548312395.db2.gz FWPOLDGNRUNVEK-CQSZACIVSA-N 1 0 372.494 2.326 20 30 FEEDRO COC(=O)[C@@](C)(C[NH2+][C@H](C)C(=O)NC1(C#N)CCCCC1)c1ccccc1 ZINC000189947187 548313846 /nfs/dbraw/zinc/31/38/46/548313846.db2.gz COGQYQFNTKGHDX-UZLBHIALSA-N 1 0 371.481 2.438 20 30 FEEDRO O=C1[C@@H](N2CCN(CC#Cc3ccccc3)CC2)CCN1c1ccccc1 ZINC000192023828 548355852 /nfs/dbraw/zinc/35/58/52/548355852.db2.gz IZWAGXPMQAEUAC-QFIPXVFZSA-N 1 0 359.473 2.461 20 30 FEEDRO CC[NH+](CC)CCN(CCOC)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192614795 548367911 /nfs/dbraw/zinc/36/79/11/548367911.db2.gz YGZFFGVQJKGIFK-FQEVSTJZSA-N 1 0 372.513 2.344 20 30 FEEDRO CC(C)(C)[C@@H](CO)[NH2+]CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000193100762 548380453 /nfs/dbraw/zinc/38/04/53/548380453.db2.gz XLONTJLOGQLLCB-OAHLLOKOSA-N 1 0 356.388 2.170 20 30 FEEDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3ccnc(C#N)c3)cc2F)CC1 ZINC000193183224 548381924 /nfs/dbraw/zinc/38/19/24/548381924.db2.gz BEVHUXINLVJXRT-UHFFFAOYSA-N 1 0 367.428 2.164 20 30 FEEDRO CC(C)(C)[NH+]1CCC(NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)CC1 ZINC000193982011 548416752 /nfs/dbraw/zinc/41/67/52/548416752.db2.gz NVGRRQKGLIAIJT-UHFFFAOYSA-N 1 0 370.501 2.048 20 30 FEEDRO C[C@H](C(=O)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000486560350 561350812 /nfs/dbraw/zinc/35/08/12/561350812.db2.gz NWCDWHKCJFVKEL-HTAPYJJXSA-N 1 0 363.461 2.415 20 30 FEEDRO C[C@@H]([NH2+]CCc1ccc(S(N)(=O)=O)cc1)c1ccc(OCC#N)cc1 ZINC000194454422 548485013 /nfs/dbraw/zinc/48/50/13/548485013.db2.gz HXDNOOUDZPTSML-CQSZACIVSA-N 1 0 359.451 2.130 20 30 FEEDRO C[S@](=O)c1ccc(C[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 ZINC000486905878 561359382 /nfs/dbraw/zinc/35/93/82/561359382.db2.gz RTDJCZFSHZJNID-BCHFMIIMSA-N 1 0 367.474 2.186 20 30 FEEDRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)COc2cc(Cl)cc(C#N)c2)C1 ZINC000487390873 561369007 /nfs/dbraw/zinc/36/90/07/561369007.db2.gz QDKCSFFPAYIEKV-QGZVFWFLSA-N 1 0 365.861 2.063 20 30 FEEDRO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000245461574 548927222 /nfs/dbraw/zinc/92/72/22/548927222.db2.gz NDDBCTJFSKVDER-GPMSIDNRSA-N 1 0 358.461 2.407 20 30 FEEDRO CC[NH+](CC)CC(=O)N1CCN(c2c(C#N)cnc3ccc(C)cc32)CC1 ZINC000488083218 561383034 /nfs/dbraw/zinc/38/30/34/561383034.db2.gz ZHQGUPMMKLBXMX-UHFFFAOYSA-N 1 0 365.481 2.405 20 30 FEEDRO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCCC[C@H]2C(=O)N2CCOCC2)cc1 ZINC000245714103 548981637 /nfs/dbraw/zinc/98/16/37/548981637.db2.gz GPEDIHMMSIIKHG-APWZRJJASA-N 1 0 357.454 2.191 20 30 FEEDRO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CCc3ccccc3[C@H]2C)CC1 ZINC000246165522 549067567 /nfs/dbraw/zinc/06/75/67/549067567.db2.gz UXGAMKPEFQFXPJ-YLJYHZDGSA-N 1 0 354.498 2.298 20 30 FEEDRO CCN(C[C@H]1CC[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)C1)CC(F)(F)F ZINC000246201677 549075802 /nfs/dbraw/zinc/07/58/02/549075802.db2.gz MSZDXOQEAIBIFW-GDBMZVCRSA-N 1 0 362.440 2.247 20 30 FEEDRO COC(=O)[C@@]1(C)CC[N@@H+]([C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1 ZINC000246439081 549133570 /nfs/dbraw/zinc/13/35/70/549133570.db2.gz KTWINEWCNGNQRE-KUHUBIRLSA-N 1 0 361.417 2.346 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N2CC[C@@](C(=O)OC)(c3ccccc3)C2)CC1 ZINC000488808334 561397561 /nfs/dbraw/zinc/39/75/61/561397561.db2.gz YXVGCEFTERYFSP-NRFANRHFSA-N 1 0 371.481 2.163 20 30 FEEDRO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)N3CCO[C@@H](C#N)C3)cc2)C1 ZINC000246916533 549241786 /nfs/dbraw/zinc/24/17/86/549241786.db2.gz AISIVCAVYGYQDO-LPHOPBHVSA-N 1 0 356.470 2.352 20 30 FEEDRO N#Cc1ccc(N2CC[C@H](N3CCCN(c4ccccn4)CC3)C2=O)cc1 ZINC000248903959 549525592 /nfs/dbraw/zinc/52/55/92/549525592.db2.gz XULCDYZMWQZFOW-IBGZPJMESA-N 1 0 361.449 2.271 20 30 FEEDRO Cc1ncc(S(=O)(=O)N[C@@H](C)[C@H](c2ccccc2)[NH+](C)C)cc1C#N ZINC000489614816 561415538 /nfs/dbraw/zinc/41/55/38/561415538.db2.gz WUVKMCOQVREJDY-KBXCAEBGSA-N 1 0 358.467 2.231 20 30 FEEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000249174467 549564781 /nfs/dbraw/zinc/56/47/81/549564781.db2.gz LVVLVMOIDJRBGH-RHSMWYFYSA-N 1 0 372.469 2.083 20 30 FEEDRO CCOc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000253358712 549683769 /nfs/dbraw/zinc/68/37/69/549683769.db2.gz RCMSJRODERWVFN-HUUCEWRRSA-N 1 0 372.469 2.132 20 30 FEEDRO C[NH+]=C(NCc1ccc(C(=O)N(C)C)cc1)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000261620302 549735819 /nfs/dbraw/zinc/73/58/19/549735819.db2.gz HOTPLGTZCXXMKL-RCCFBDPRSA-N 1 0 370.497 2.011 20 30 FEEDRO C[NH+]=C(NCc1cc(Br)cs1)N1CCC[C@@H](CC(N)=O)C1 ZINC000261846524 549762724 /nfs/dbraw/zinc/76/27/24/549762724.db2.gz XJOVAGXJUJVREJ-JTQLQIEISA-N 1 0 373.320 2.173 20 30 FEEDRO C=CCN(C(=O)CC[C@H]1CC[NH2+]C1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000261906462 549768680 /nfs/dbraw/zinc/76/86/80/549768680.db2.gz VUXIEQMPYDESFP-CVEARBPZSA-N 1 0 354.458 2.128 20 30 FEEDRO C[NH+]=C(NCCS(C)(=O)=O)N[C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000261961377 549774882 /nfs/dbraw/zinc/77/48/82/549774882.db2.gz KHONZDDYCWUDKD-OAHLLOKOSA-N 1 0 365.499 2.033 20 30 FEEDRO C[NH+]=C(NCC(C)(C)c1cccs1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261987934 549776988 /nfs/dbraw/zinc/77/69/88/549776988.db2.gz QOJKEFYIUDVORM-UHFFFAOYSA-N 1 0 357.545 2.110 20 30 FEEDRO C[NH+]=C(NCc1c[nH]nc1C)NC[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000262013688 549779877 /nfs/dbraw/zinc/77/98/77/549779877.db2.gz VIJRENJLRPSGNI-AWEZNQCLSA-N 1 0 356.257 2.424 20 30 FEEDRO O=S1(=O)CC[C@H](C[NH+]=C(NCc2cccs2)N2CCCCC2)C1 ZINC000262227768 549800685 /nfs/dbraw/zinc/80/06/85/549800685.db2.gz LOUUJTYNDFGYFU-CQSZACIVSA-N 1 0 355.529 2.114 20 30 FEEDRO C[C@@H](NC(NCC(=O)N(C)C)=[NH+][C@@H]1CCO[C@H](C)C1)c1cccs1 ZINC000262287777 549807122 /nfs/dbraw/zinc/80/71/22/549807122.db2.gz KOAXHCMHHIWEBK-MGPQQGTHSA-N 1 0 352.504 2.000 20 30 FEEDRO CC[NH+]=C(NC[C@](C)(O)c1ccsc1)N[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000262465642 549822250 /nfs/dbraw/zinc/82/22/50/549822250.db2.gz YDWOJIQITWDKRH-BSXFFOKHSA-N 1 0 351.516 2.324 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N2CCC(C(=O)Nc3ccc(F)cc3)CC2)CC1 ZINC000263664216 549916271 /nfs/dbraw/zinc/91/62/71/549916271.db2.gz CWCVUWFDQWOAHL-UHFFFAOYSA-N 1 0 371.456 2.348 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCC(N(C)C(C)=O)CC1)C(C)C ZINC000263669892 549916631 /nfs/dbraw/zinc/91/66/31/549916631.db2.gz HAMIIHHWPCIQMJ-IBGZPJMESA-N 1 0 364.534 2.337 20 30 FEEDRO C=CCc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@H](C(=O)OC)C2)c(OC)c1 ZINC000263880456 549950375 /nfs/dbraw/zinc/95/03/75/549950375.db2.gz LLRPPUWNRZEXAI-IRXDYDNUSA-N 1 0 363.454 2.048 20 30 FEEDRO C[NH+]=C(NCc1ccco1)NCC1(c2ccc3c(c2)OCO3)CCOCC1 ZINC000264099971 549979026 /nfs/dbraw/zinc/97/90/26/549979026.db2.gz YQVBYONHXOUZFN-UHFFFAOYSA-N 1 0 371.437 2.422 20 30 FEEDRO COc1ccc(CCNC(=[NH2+])NCc2ccc(N3CCOCC3)cc2)cc1 ZINC000264103357 549979667 /nfs/dbraw/zinc/97/96/67/549979667.db2.gz OSLCIUFJLYFGRR-UHFFFAOYSA-N 1 0 368.481 2.179 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N[C@H](C)c2ccc3c(c2)CC(=O)N3C)CC1 ZINC000264370872 549995239 /nfs/dbraw/zinc/99/52/39/549995239.db2.gz QXQPEFOIMPBQEP-CQSZACIVSA-N 1 0 356.470 2.216 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N2CCC(NC(=O)c3ccccc3)CC2)CC1 ZINC000264367361 549995475 /nfs/dbraw/zinc/99/54/75/549995475.db2.gz QFZHZOJHLIFZOS-UHFFFAOYSA-N 1 0 370.497 2.241 20 30 FEEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCC(C)(C)[NH+](C)C ZINC000264515739 549997468 /nfs/dbraw/zinc/99/74/68/549997468.db2.gz AAWCMYWOLKJPID-ZDUSSCGKSA-N 1 0 362.499 2.476 20 30 FEEDRO C[C@@H](NC(=O)NCC(C)(C)C#N)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000491049895 561442250 /nfs/dbraw/zinc/44/22/50/561442250.db2.gz GVOSVMOYWAXQPR-CQSZACIVSA-N 1 0 361.465 2.487 20 30 FEEDRO COc1cc(C[NH2+]CCNC(=O)C2N=CC=CC2=O)ccc1OC(C)C ZINC000264947808 550004472 /nfs/dbraw/zinc/00/44/72/550004472.db2.gz JNBIAGDKVCPCFG-HNENSFHCSA-N 1 0 359.426 2.098 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1ccnc(OCC(F)(F)F)c1 ZINC000265956436 550015586 /nfs/dbraw/zinc/01/55/86/550015586.db2.gz OQOXNTQOJFRRIU-UHFFFAOYSA-N 1 0 358.364 2.330 20 30 FEEDRO CCOCCC[NH+]=C(NCc1noc(C)n1)NCc1ccc(OC)cc1 ZINC000266111427 550017232 /nfs/dbraw/zinc/01/72/32/550017232.db2.gz KHXVBTAVQQFRIA-UHFFFAOYSA-N 1 0 361.446 2.049 20 30 FEEDRO CN(C)c1ncc(CNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)n1C ZINC000267388682 550030404 /nfs/dbraw/zinc/03/04/04/550030404.db2.gz CHVSMCFDZVQGSX-UHFFFAOYSA-N 1 0 356.352 2.312 20 30 FEEDRO CC[C@@H](C)NC(=[NH2+])NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N ZINC000267428096 550031762 /nfs/dbraw/zinc/03/17/62/550031762.db2.gz LXCJTTQIYNBGGO-GFCCVEGCSA-N 1 0 357.437 2.101 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N(CCOCCOC)Cc2ccccc2)CC1 ZINC000268333776 550051348 /nfs/dbraw/zinc/05/13/48/550051348.db2.gz FSSGJKKJTYHOOS-UHFFFAOYSA-N 1 0 358.482 2.023 20 30 FEEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)[C@H](O)CCc1ccccc1 ZINC000491570428 561446579 /nfs/dbraw/zinc/44/65/79/561446579.db2.gz PJEHBCZNVWICTC-OAQYLSRUSA-N 1 0 365.477 2.442 20 30 FEEDRO C[NH+](C)[C@@H]1CCN(c2ccc(NC(=O)c3ccccc3OCC#N)nc2)C1 ZINC000269397414 550190214 /nfs/dbraw/zinc/19/02/14/550190214.db2.gz BZGHAZVSWLVIIW-MRXNPFEDSA-N 1 0 365.437 2.377 20 30 FEEDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)Nc2ccc(C#N)cc2F)C1 ZINC000269550650 550205475 /nfs/dbraw/zinc/20/54/75/550205475.db2.gz FDFNDDLWSDPQJG-OAHLLOKOSA-N 1 0 360.433 2.120 20 30 FEEDRO N#Cc1cc(Cl)ccc1S(=O)(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000269658318 550214903 /nfs/dbraw/zinc/21/49/03/550214903.db2.gz KLHYGMFRQQDUBZ-HNNXBMFYSA-N 1 0 353.875 2.461 20 30 FEEDRO Cc1cc(C#N)ccc1C(=O)N[C@H](C)CN1CCN(c2ccccn2)CC1 ZINC000269692705 550217764 /nfs/dbraw/zinc/21/77/64/550217764.db2.gz KLGVZJQXDJVXIG-QGZVFWFLSA-N 1 0 363.465 2.202 20 30 FEEDRO C=C[C@@H](CC(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccccc1 ZINC000270322858 550261765 /nfs/dbraw/zinc/26/17/65/550261765.db2.gz VFOQHZMTTYJBDS-PKOBYXMFSA-N 1 0 357.498 2.405 20 30 FEEDRO CN(Cc1ccccc1)CC(C)(C)[NH2+]CC(=O)N(CCC#N)CCC#N ZINC000270411256 550269975 /nfs/dbraw/zinc/26/99/75/550269975.db2.gz DUGSHLKUABFECU-UHFFFAOYSA-N 1 0 355.486 2.143 20 30 FEEDRO COc1ccc(NC(=[NH2+])NC[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1 ZINC000270441840 550272945 /nfs/dbraw/zinc/27/29/45/550272945.db2.gz RPWHDXPTHIEPIR-INIZCTEOSA-N 1 0 352.438 2.471 20 30 FEEDRO CN(CCC#N)C(=O)CC[NH+]1CCC(C(=O)Nc2cccc(F)c2)CC1 ZINC000270655400 550293524 /nfs/dbraw/zinc/29/35/24/550293524.db2.gz MWUBPMNCHATDHF-UHFFFAOYSA-N 1 0 360.433 2.238 20 30 FEEDRO N#CCc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)cc1 ZINC000270871081 550315826 /nfs/dbraw/zinc/31/58/26/550315826.db2.gz ODHIQTHIZRYQQP-NHCUHLMSSA-N 1 0 363.461 2.365 20 30 FEEDRO C[C@@H]1C[C@H](NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)CCO1 ZINC000271269487 550359565 /nfs/dbraw/zinc/35/95/65/550359565.db2.gz MEEZGBLPZKMGOF-VQIMIIECSA-N 1 0 356.470 2.343 20 30 FEEDRO C=CCOc1cccc(C[NH2+][C@@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)c1 ZINC000272113880 550423405 /nfs/dbraw/zinc/42/34/05/550423405.db2.gz YDVQJASVCMEPHI-SJLPKXTDSA-N 1 0 351.468 2.077 20 30 FEEDRO COCCOc1ccc(C#N)cc1NC(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000273241878 550491206 /nfs/dbraw/zinc/49/12/06/550491206.db2.gz WVWOHXFBYCNBCQ-NVXWUHKLSA-N 1 0 358.442 2.141 20 30 FEEDRO CS[C@@H]1CN(S(=O)(=O)c2cccc(C)c2C#N)C[C@H]1[NH+]1CCCC1 ZINC000274744649 550551795 /nfs/dbraw/zinc/55/17/95/550551795.db2.gz GLLMWHVTVLFDRM-HZPDHXFCSA-N 1 0 365.524 2.067 20 30 FEEDRO CN(C)C1(C#N)CCN(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)CC1 ZINC000275009373 550570028 /nfs/dbraw/zinc/57/00/28/550570028.db2.gz DWZXJZWESUEBGL-ROUUACIJSA-N 1 0 355.486 2.061 20 30 FEEDRO CC(C)COc1cccc(NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C)c1 ZINC000275855021 550574801 /nfs/dbraw/zinc/57/48/01/550574801.db2.gz LKFPCCBNOVRFEB-UHFFFAOYSA-N 1 0 374.485 2.354 20 30 FEEDRO N#CCCCOc1cccnc1NC(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000276017046 550575891 /nfs/dbraw/zinc/57/58/91/550575891.db2.gz BOPDGNDCBKOOMY-UHFFFAOYSA-N 1 0 373.457 2.093 20 30 FEEDRO C=CCNC(=O)c1ccc(NC(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)cc1 ZINC000277582791 550687554 /nfs/dbraw/zinc/68/75/54/550687554.db2.gz UDRDBGFKIHGDBZ-MRXNPFEDSA-N 1 0 374.485 2.225 20 30 FEEDRO CCOC(=O)c1n[nH]c(C2CC[NH+](CCOc3cccc(C#N)c3)CC2)n1 ZINC000277655608 550697128 /nfs/dbraw/zinc/69/71/28/550697128.db2.gz DITATOLGWMUYSV-UHFFFAOYSA-N 1 0 369.425 2.111 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)[C@H]2CCN(C(=O)OCc3ccccc3)C2)CC1 ZINC000277664803 550698637 /nfs/dbraw/zinc/69/86/37/550698637.db2.gz GVIOLDFBYVCSCD-SFHVURJKSA-N 1 0 371.481 2.412 20 30 FEEDRO CC[C@@H]([NH2+]C[C@H](O)CS(=O)(=O)c1cccs1)c1ccc(C#N)cc1 ZINC000278367429 550778008 /nfs/dbraw/zinc/77/80/08/550778008.db2.gz BWVHSCWTJHQWGQ-JKSUJKDBSA-N 1 0 364.492 2.495 20 30 FEEDRO N#C[C@H]1CC[C@@H]([NH+]2CCC(NS(=O)(=O)c3ccc(F)cc3)CC2)C1 ZINC000278618878 550804871 /nfs/dbraw/zinc/80/48/71/550804871.db2.gz NEPTYODKYQASOJ-XJKSGUPXSA-N 1 0 351.447 2.261 20 30 FEEDRO C#CCC(CC#C)C(=O)NCc1ccccc1CN1CC[NH+](CC)CC1 ZINC000278903142 550834216 /nfs/dbraw/zinc/83/42/16/550834216.db2.gz PWTGHTHBYCBCBU-UHFFFAOYSA-N 1 0 351.494 2.103 20 30 FEEDRO CC(C)(C#N)c1ccccc1C[N@@H+]1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000278939472 550838222 /nfs/dbraw/zinc/83/82/22/550838222.db2.gz UGSDXJNHAHCVFJ-KRWDZBQOSA-N 1 0 361.511 2.488 20 30 FEEDRO C=C(C)[C@H]1OCC[C@H]1C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000279016873 550847186 /nfs/dbraw/zinc/84/71/86/550847186.db2.gz IEDZQQSBBKUWNE-WOJBJXKFSA-N 1 0 358.482 2.241 20 30 FEEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000279051629 550850908 /nfs/dbraw/zinc/85/09/08/550850908.db2.gz MJDZXNDFMDQLNV-UHFFFAOYSA-N 1 0 356.470 2.199 20 30 FEEDRO CCCN1CCCN(Cc2cn(CCC#N)nc2-c2ccncc2)CC1=O ZINC000279454786 550891886 /nfs/dbraw/zinc/89/18/86/550891886.db2.gz SYUUCYMWCVRXBP-UHFFFAOYSA-N 1 0 366.469 2.303 20 30 FEEDRO N#CCCn1cc(C[N@H+]2CC[C@@H](N3CCCC3=O)C2)c(-c2ccncc2)n1 ZINC000279483903 550895368 /nfs/dbraw/zinc/89/53/68/550895368.db2.gz XDTREGWDQXDXRF-GOSISDBHSA-N 1 0 364.453 2.055 20 30 FEEDRO C=CCCCNC(=O)C(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1C ZINC000280445590 550995012 /nfs/dbraw/zinc/99/50/12/550995012.db2.gz KVADVHMKPSHCSB-UHFFFAOYSA-N 1 0 358.486 2.158 20 30 FEEDRO C[C@H]1OCC[C@]12C[N@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)CCO2 ZINC000280472338 550997734 /nfs/dbraw/zinc/99/77/34/550997734.db2.gz PBGGSHIVOHACER-ACJLOTCBSA-N 1 0 363.845 2.420 20 30 FEEDRO N#Cc1cccc(S(=O)(=O)N2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000280542084 551005689 /nfs/dbraw/zinc/00/56/89/551005689.db2.gz SMSGBVZKMVECBS-KDURUIRLSA-N 1 0 367.474 2.311 20 30 FEEDRO C=C(C)CS(=O)(=O)NCc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000280599811 551011921 /nfs/dbraw/zinc/01/19/21/551011921.db2.gz PETSOPKTZNGNNI-HZPDHXFCSA-N 1 0 352.500 2.291 20 30 FEEDRO N#Cc1ccc(C[C@@H](C#N)C(=O)NC2CC[NH+](Cc3cccnc3)CC2)cc1 ZINC000280991968 551052690 /nfs/dbraw/zinc/05/26/90/551052690.db2.gz TTYSRQOMCPSVRO-FQEVSTJZSA-N 1 0 373.460 2.416 20 30 FEEDRO COc1cc(C[NH2+]C2CCN(S(=O)(=O)C(C)(C)C)CC2)ccc1C#N ZINC000281752323 551139283 /nfs/dbraw/zinc/13/92/83/551139283.db2.gz RBLBAWGMDNCERK-UHFFFAOYSA-N 1 0 365.499 2.249 20 30 FEEDRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+]Cc2ccc(C#N)c(OC)c2)c1 ZINC000281850220 551148227 /nfs/dbraw/zinc/14/82/27/551148227.db2.gz ZCSRBMNXTSHDPV-ZDUSSCGKSA-N 1 0 359.451 2.326 20 30 FEEDRO C[N@@H+]1CCN(CCNC(=O)CCCCOc2cccc(C#N)c2)CC1(C)C ZINC000281886694 551153120 /nfs/dbraw/zinc/15/31/20/551153120.db2.gz XTGXBPZMXZYBEB-UHFFFAOYSA-N 1 0 372.513 2.250 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000281900050 551155244 /nfs/dbraw/zinc/15/52/44/551155244.db2.gz UWLOELBADNTRSK-HKUYNNGSSA-N 1 0 361.486 2.407 20 30 FEEDRO C[N@@H+]1CC[C@H]2CCN(S(=O)(=O)c3ccc(C(F)(F)F)c(C#N)c3)[C@H]2C1 ZINC000282349323 551215144 /nfs/dbraw/zinc/21/51/44/551215144.db2.gz PEULDMKIRVZPTR-NHYWBVRUSA-N 1 0 373.400 2.292 20 30 FEEDRO CCC(CC)(CCO)[NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000282513059 551240422 /nfs/dbraw/zinc/24/04/22/551240422.db2.gz SIGJGWVCGRUYJR-UHFFFAOYSA-N 1 0 355.442 2.213 20 30 FEEDRO C=CCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000282671126 551257982 /nfs/dbraw/zinc/25/79/82/551257982.db2.gz RWPVWDSRXNRUFK-SFHVURJKSA-N 1 0 371.533 2.494 20 30 FEEDRO C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC000282794067 551271157 /nfs/dbraw/zinc/27/11/57/551271157.db2.gz GKWVXLFLHMHDLU-UHFFFAOYSA-N 1 0 372.517 2.155 20 30 FEEDRO C#Cc1cc(F)c(NC(=O)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c(F)c1 ZINC000283125870 551315649 /nfs/dbraw/zinc/31/56/49/551315649.db2.gz CCYBNSNDRWASET-AGUYFDCRSA-N 1 0 361.392 2.016 20 30 FEEDRO C#Cc1cc(F)c(NC(=O)C(=O)N2CC[C@@H](C[N@@H+](C)CCC)C2)c(F)c1 ZINC000283319094 551347296 /nfs/dbraw/zinc/34/72/96/551347296.db2.gz QEABAVOHFFBDDM-AWEZNQCLSA-N 1 0 363.408 2.075 20 30 FEEDRO C[C@H](NC(=O)C(=O)N(C)CC[C@H]1CCCC[N@@H+]1C)c1ccc(C#N)cc1 ZINC000283534109 551383033 /nfs/dbraw/zinc/38/30/33/551383033.db2.gz DKSOICIYUBEUAK-MAUKXSAKSA-N 1 0 356.470 2.068 20 30 FEEDRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C)C1 ZINC000283616930 551397745 /nfs/dbraw/zinc/39/77/45/551397745.db2.gz VVWYNGRDUIGLAU-QGZVFWFLSA-N 1 0 368.485 2.434 20 30 FEEDRO CN1CC[C@H]([NH2+]CC(=O)N[C@](C)(C#N)C2CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000283650455 551403410 /nfs/dbraw/zinc/40/34/10/551403410.db2.gz BDRSFFSLBMTWDL-YTQUADARSA-N 1 0 362.424 2.108 20 30 FEEDRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H](C)c2ccc(C#N)cc2)CC1=O ZINC000498190968 561517868 /nfs/dbraw/zinc/51/78/68/561517868.db2.gz SCLRHQJEZWKFKR-ATZDWAIDSA-N 1 0 368.481 2.068 20 30 FEEDRO C=C(C)CN(CC)C(=O)C(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000284494454 551561648 /nfs/dbraw/zinc/56/16/48/551561648.db2.gz RXJHVCXHSBFTEF-IBGZPJMESA-N 1 0 373.497 2.373 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)CCOC[C@@H]1CCCO1 ZINC000498387783 561523884 /nfs/dbraw/zinc/52/38/84/561523884.db2.gz YXKYQRYOFQNFKM-IBGZPJMESA-N 1 0 359.470 2.034 20 30 FEEDRO C[NH+]1CCC(Oc2ccc(CNC(=O)C3(C#N)CCOCC3)cc2)CC1 ZINC000284702659 551612288 /nfs/dbraw/zinc/61/22/88/551612288.db2.gz ONVGPICYSBWIRZ-UHFFFAOYSA-N 1 0 357.454 2.096 20 30 FEEDRO Cc1oc(NC(=O)CN2CCC[C@@](O)(C(F)(F)F)CC2)c(C#N)c1C ZINC000285355011 551743102 /nfs/dbraw/zinc/74/31/02/551743102.db2.gz ABDYBMNRABJJMY-HNNXBMFYSA-N 1 0 359.348 2.486 20 30 FEEDRO CC1CC[NH+]([C@H](CNC(=O)C(=O)NCCCCC#N)c2ccccc2)CC1 ZINC000285422631 551754187 /nfs/dbraw/zinc/75/41/87/551754187.db2.gz IXYNKTOJAIOWMB-LJQANCHMSA-N 1 0 370.497 2.386 20 30 FEEDRO C[NH+](C)[C@@H]1CCCN(C(=O)C2CCN(c3ccc(C#N)cc3F)CC2)C1 ZINC000285430471 551755425 /nfs/dbraw/zinc/75/54/25/551755425.db2.gz WKHXFBDMYQONMH-QGZVFWFLSA-N 1 0 358.461 2.466 20 30 FEEDRO C=CCN(CCc1ccccc1)C(=O)C(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000498856264 561535957 /nfs/dbraw/zinc/53/59/57/561535957.db2.gz OHXYETUIUSESFJ-UHFFFAOYSA-N 1 0 355.482 2.012 20 30 FEEDRO CCNC(=O)OC[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccccc1C#N ZINC000285759371 551806545 /nfs/dbraw/zinc/80/65/45/551806545.db2.gz WZTKVRYKFHUCMO-INIZCTEOSA-N 1 0 358.442 2.487 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCCOc3ccccc32)CC1 ZINC000285827225 551815717 /nfs/dbraw/zinc/81/57/17/551815717.db2.gz GAACPEWDLJYSDN-GOSISDBHSA-N 1 0 371.481 2.173 20 30 FEEDRO Cc1ccc([C@H](CNC(=O)C(=O)NCCCCC#N)[NH+]2CCCC2)cc1 ZINC000286285741 551869732 /nfs/dbraw/zinc/86/97/32/551869732.db2.gz PEWVLKUXYCHADH-SFHVURJKSA-N 1 0 356.470 2.058 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N2CCSC[C@@H]2c2ccccc2)CC1 ZINC000286425106 551885041 /nfs/dbraw/zinc/88/50/41/551885041.db2.gz GCLGBDAWSDWKIK-GOSISDBHSA-N 1 0 373.522 2.070 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(C#N)o1 ZINC000286461185 551888086 /nfs/dbraw/zinc/88/80/86/551888086.db2.gz AZGLCZBARCXVBN-UHFFFAOYSA-N 1 0 351.403 2.043 20 30 FEEDRO C=CCOc1ccc(CNC(=O)NCCCC[NH+]2CCN(CC)CC2)cc1 ZINC000286561904 551900347 /nfs/dbraw/zinc/90/03/47/551900347.db2.gz IJAWPFGQPLVYNR-UHFFFAOYSA-N 1 0 374.529 2.468 20 30 FEEDRO Cc1ccccc1C[NH+]1CCC(NS(=O)(=O)c2ccc(C#N)o2)CC1 ZINC000286592454 551903419 /nfs/dbraw/zinc/90/34/19/551903419.db2.gz KNQBDMYANVQDAM-UHFFFAOYSA-N 1 0 359.451 2.403 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(C)[C@H](C)c2ccc(OC)cc2)CC1 ZINC000286624293 551907406 /nfs/dbraw/zinc/90/74/06/551907406.db2.gz MBBBZPZJAASSSM-MRXNPFEDSA-N 1 0 373.497 2.371 20 30 FEEDRO CNC(=O)OC[C@@H]1CCCCN1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000286682820 551914226 /nfs/dbraw/zinc/91/42/26/551914226.db2.gz CJELHYUNBGPDNT-HNNXBMFYSA-N 1 0 355.398 2.319 20 30 FEEDRO C=C(C)CN(CC)C(=O)C(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000286778930 551925065 /nfs/dbraw/zinc/92/50/65/551925065.db2.gz UQNOHDUDKYUZQQ-UHFFFAOYSA-N 1 0 361.486 2.058 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(Cc2cccs2)C2CC2)CC1 ZINC000286795286 551926795 /nfs/dbraw/zinc/92/67/95/551926795.db2.gz UNPPKKNNZIKQRH-UHFFFAOYSA-N 1 0 361.511 2.396 20 30 FEEDRO C=CCOc1ccc(CNC(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000287279349 551984537 /nfs/dbraw/zinc/98/45/37/551984537.db2.gz SYMWMJXOFMGUSD-UHFFFAOYSA-N 1 0 360.502 2.077 20 30 FEEDRO CC[C@@](C)(C#N)C(=O)N1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000287367064 551995153 /nfs/dbraw/zinc/99/51/53/551995153.db2.gz NYWSTAOEMTYFNO-FPOVZHCZSA-N 1 0 354.498 2.345 20 30 FEEDRO N#Cc1ccc(-c2nnc(C[N@H+]3CC[C@@H](C(=O)N4CCCC4)C3)o2)cc1 ZINC000287597886 552023557 /nfs/dbraw/zinc/02/35/57/552023557.db2.gz YPSSMEZHAKRXNW-MRXNPFEDSA-N 1 0 351.410 2.053 20 30 FEEDRO C#CC[C@@H](Cc1ccccc1)NC(=O)N1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000288240573 552116814 /nfs/dbraw/zinc/11/68/14/552116814.db2.gz SFWNDKOFORGRBS-SFTDATJTSA-N 1 0 368.525 2.042 20 30 FEEDRO C#C[C@H](NC(=O)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1)C(C)(C)C ZINC000288421397 552150932 /nfs/dbraw/zinc/15/09/32/552150932.db2.gz NTIVTTNDURTPRN-SFHVURJKSA-N 1 0 355.482 2.428 20 30 FEEDRO C#C[C@H](NC(=O)C(=O)Nc1ccc(C)cc1OCC[NH+](C)C)C(C)(C)C ZINC000288436466 552153274 /nfs/dbraw/zinc/15/32/74/552153274.db2.gz PDPIPFQCFJTUDH-KRWDZBQOSA-N 1 0 359.470 2.038 20 30 FEEDRO Cc1onc(CC(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)c1C#N ZINC000499845103 561559654 /nfs/dbraw/zinc/55/96/54/561559654.db2.gz FSOYDECPXJVKPP-KRWDZBQOSA-N 1 0 352.438 2.078 20 30 FEEDRO C[C@@H]1CC[C@H](CNC(=O)C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)C1 ZINC000499916499 561561511 /nfs/dbraw/zinc/56/15/11/561561511.db2.gz RVSAGCLOZBCJGN-APWZRJJASA-N 1 0 370.497 2.001 20 30 FEEDRO N#Cc1ccc(CS(=O)(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000289141486 552272279 /nfs/dbraw/zinc/27/22/79/552272279.db2.gz KCRDNKDTHSDNBR-IEBWSBKVSA-N 1 0 359.495 2.337 20 30 FEEDRO N#Cc1ccc(CS(=O)(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000289141487 552272351 /nfs/dbraw/zinc/27/23/51/552272351.db2.gz KCRDNKDTHSDNBR-MJGOQNOKSA-N 1 0 359.495 2.337 20 30 FEEDRO C=CCN(Cc1ccc(COCCOC)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000289242411 552287760 /nfs/dbraw/zinc/28/77/60/552287760.db2.gz ZRGRZVOLRXZBNC-GOSISDBHSA-N 1 0 353.484 2.025 20 30 FEEDRO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H]1[C@@H]1COCC[C@H]1O ZINC000500351187 561570522 /nfs/dbraw/zinc/57/05/22/561570522.db2.gz BHNUOHPRVASAAX-IYWMVGAKSA-N 1 0 361.482 2.017 20 30 FEEDRO CC(C)[C@](C)([NH2+]CC(=O)Nc1sc2c(c1C#N)CCCCC2)C(N)=O ZINC000289393112 552314113 /nfs/dbraw/zinc/31/41/13/552314113.db2.gz REXVGAIJAHYTRG-SFHVURJKSA-N 1 0 362.499 2.317 20 30 FEEDRO CN(CCC#N)C(=O)CC[NH2+][C@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 ZINC000289452018 552323906 /nfs/dbraw/zinc/32/39/06/552323906.db2.gz UVYIYQQQWCLQFI-WMZOPIPTSA-N 1 0 350.413 2.062 20 30 FEEDRO C[C@H]1C[C@H](NS(=O)(=O)c2cncc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000289613082 552349755 /nfs/dbraw/zinc/34/97/55/552349755.db2.gz YONPRZFKPJLJRK-MAUKXSAKSA-N 1 0 370.478 2.285 20 30 FEEDRO C=CCn1c(COc2ccccc2OC)nnc1N1CC[NH+](CC)CC1 ZINC000289623585 552351643 /nfs/dbraw/zinc/35/16/43/552351643.db2.gz KACVVXKGBKIKDW-UHFFFAOYSA-N 1 0 357.458 2.194 20 30 FEEDRO C=CCn1c(-c2ccc[nH]2)nnc1N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC000290116491 552429464 /nfs/dbraw/zinc/42/94/64/552429464.db2.gz FVNDMCHRJKDJLL-OAHLLOKOSA-N 1 0 356.474 2.149 20 30 FEEDRO C[NH+](C)C1(CNS(=O)(=O)Cc2cc(C#N)ccc2F)CCCCC1 ZINC000500791859 561582578 /nfs/dbraw/zinc/58/25/78/561582578.db2.gz JGBKKHZWNACABA-UHFFFAOYSA-N 1 0 353.463 2.381 20 30 FEEDRO C[NH+]1CCC([C@H]2CCN(S(=O)(=O)Cc3cc(C#N)ccc3F)C2)CC1 ZINC000501057944 561588701 /nfs/dbraw/zinc/58/87/01/561588701.db2.gz NUYSYYADDGGTLP-INIZCTEOSA-N 1 0 365.474 2.191 20 30 FEEDRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2ccc(C#N)c(F)c2)C1 ZINC000290832423 552545775 /nfs/dbraw/zinc/54/57/75/552545775.db2.gz POWAJVLHNXXNMU-AWEZNQCLSA-N 1 0 360.433 2.120 20 30 FEEDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)Nc2ccc(C#N)c(F)c2)C1 ZINC000290832424 552545795 /nfs/dbraw/zinc/54/57/95/552545795.db2.gz POWAJVLHNXXNMU-CQSZACIVSA-N 1 0 360.433 2.120 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCC(F)(F)[C@@H](CO)C1)C(C)C ZINC000291579890 552639631 /nfs/dbraw/zinc/63/96/31/552639631.db2.gz YGECUTFIQTYNKL-CVEARBPZSA-N 1 0 359.461 2.344 20 30 FEEDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)C1 ZINC000291636945 552646250 /nfs/dbraw/zinc/64/62/50/552646250.db2.gz BZNUORNUOFBJKV-QZTJIDSGSA-N 1 0 371.485 2.236 20 30 FEEDRO C[NH+](C)C[C@@H]1CCc2ccccc2N1S(=O)(=O)c1cncc(C#N)c1 ZINC000291944837 552677566 /nfs/dbraw/zinc/67/75/66/552677566.db2.gz YUJZKHHIAZJDDN-INIZCTEOSA-N 1 0 356.451 2.025 20 30 FEEDRO N#Cc1ccc(O[C@@H]2CC[N@@H+](C[C@H](O)COCc3cccs3)C2)nc1 ZINC000292375442 552720843 /nfs/dbraw/zinc/72/08/43/552720843.db2.gz YWBXTHOQEMDWLK-JKSUJKDBSA-N 1 0 359.451 2.046 20 30 FEEDRO C[C@@H]([NH2+]CC(=O)N[C@](C)(C#N)C1CC1)c1ccc(-n2cccn2)c(F)c1 ZINC000292830258 552762834 /nfs/dbraw/zinc/76/28/34/552762834.db2.gz ALMKJHGWHAIFSL-BFUOFWGJSA-N 1 0 355.417 2.470 20 30 FEEDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)C(=O)Nc2sccc2C#N)C1 ZINC000292971706 552776423 /nfs/dbraw/zinc/77/64/23/552776423.db2.gz GSZGRMZKDNXAQT-ZIAGYGMSSA-N 1 0 362.499 2.433 20 30 FEEDRO C=CCC(F)(F)C(=O)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000293477023 552827773 /nfs/dbraw/zinc/82/77/73/552827773.db2.gz SDVBCTFKNKJSGN-INIZCTEOSA-N 1 0 365.424 2.212 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000293910579 552867102 /nfs/dbraw/zinc/86/71/02/552867102.db2.gz GAZFBQLQFZAWIR-UHFFFAOYSA-N 1 0 360.845 2.394 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)c1ccc(NC(=O)OCC(F)(F)F)cc1 ZINC000293958763 552871028 /nfs/dbraw/zinc/87/10/28/552871028.db2.gz KUHZDHMFUGIYFX-UHFFFAOYSA-N 1 0 371.359 2.482 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000294090344 552881093 /nfs/dbraw/zinc/88/10/93/552881093.db2.gz XLNXSOOZRBRQJI-UHFFFAOYSA-N 1 0 362.495 2.088 20 30 FEEDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NS(=O)(=O)Cc1ccc(F)cc1C#N ZINC000294174921 552887996 /nfs/dbraw/zinc/88/79/96/552887996.db2.gz JQFUUVHJOMDLTR-KGLIPLIRSA-N 1 0 353.463 2.237 20 30 FEEDRO C[C@@H](CNS(=O)(=O)Cc1ccc(F)cc1C#N)[N@@H+]1CCC[C@H](C)C1 ZINC000294338679 552898329 /nfs/dbraw/zinc/89/83/29/552898329.db2.gz JRMVCEVEORUYQX-KBPBESRZSA-N 1 0 353.463 2.237 20 30 FEEDRO C[NH+]1CCC([C@@H]2CCN(S(=O)(=O)Cc3ccc(F)cc3C#N)C2)CC1 ZINC000295233660 552973340 /nfs/dbraw/zinc/97/33/40/552973340.db2.gz XEXJDFMIMKDUOF-OAHLLOKOSA-N 1 0 365.474 2.191 20 30 FEEDRO C[NH+](C)Cc1cccc(CNS(=O)(=O)Cc2ccc(F)cc2C#N)c1 ZINC000295255927 552976883 /nfs/dbraw/zinc/97/68/83/552976883.db2.gz XKFWXZIVHJTYHT-UHFFFAOYSA-N 1 0 361.442 2.379 20 30 FEEDRO CC[NH+](CC)C[C@H]1CCN(S(=O)(=O)Cc2ccc(F)cc2C#N)C1 ZINC000295352492 552992402 /nfs/dbraw/zinc/99/24/02/552992402.db2.gz YOZSIKGRSMTDRL-CQSZACIVSA-N 1 0 353.463 2.191 20 30 FEEDRO N#Cc1cc(F)ccc1CS(=O)(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000295716039 553049273 /nfs/dbraw/zinc/04/92/73/553049273.db2.gz VAFZSMZORZILFL-SFHVURJKSA-N 1 0 365.474 2.477 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)NCc1cccc(NC(=O)C2CCC2)c1 ZINC000296137604 553110978 /nfs/dbraw/zinc/11/09/78/553110978.db2.gz DCDZMMXNFHLYIU-UHFFFAOYSA-N 1 0 356.470 2.180 20 30 FEEDRO C[C@H]1CN([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC[N@@H+](C2CC2)C1 ZINC000296695562 553199043 /nfs/dbraw/zinc/19/90/43/553199043.db2.gz KFRWRSHBEBYKJM-OXQOHEQNSA-N 1 0 352.482 2.470 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)N1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000296766861 553208811 /nfs/dbraw/zinc/20/88/11/553208811.db2.gz GCZHSBDQPLUEPQ-UHFFFAOYSA-N 1 0 351.454 2.317 20 30 FEEDRO Cc1cc(C(=O)NCc2ccc(N(C)C)nc2)nn1-c1cccc(C#N)c1 ZINC000502923883 561630086 /nfs/dbraw/zinc/63/00/86/561630086.db2.gz FQHRVUWIOHOWHO-UHFFFAOYSA-N 1 0 360.421 2.443 20 30 FEEDRO C#Cc1ccc(CNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3CCOC)cc1 ZINC000297169379 553258741 /nfs/dbraw/zinc/25/87/41/553258741.db2.gz ACIMTNYLBRSWKI-YOFSQIOKSA-N 1 0 355.482 2.451 20 30 FEEDRO N#Cc1ccc(OCC(=O)N2CC[C@H](c3ccc(F)cc3)[C@H]([NH3+])C2)cc1 ZINC000297277329 553272346 /nfs/dbraw/zinc/27/23/46/553272346.db2.gz SZFPYNCEWBBVIF-RTBURBONSA-N 1 0 353.397 2.420 20 30 FEEDRO N#Cc1ccc(N2CC[C@H](C(=O)NCc3ccc4c[nH+]cn4c3)C2)c(F)c1 ZINC000297374578 553284809 /nfs/dbraw/zinc/28/48/09/553284809.db2.gz VZPGTXASFYGZLQ-INIZCTEOSA-N 1 0 363.396 2.488 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)N(CCc1ccccn1)Cc1ccncc1 ZINC000297450410 553293674 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2.407 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)CCn1cc(Cl)cn1 ZINC000298872774 553483423 /nfs/dbraw/zinc/48/34/23/553483423.db2.gz UROVZDIJMHVYSP-UHFFFAOYSA-N 1 0 359.861 2.389 20 30 FEEDRO CCCCNC(=O)[C@H]1CCC[N@@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000299476134 553568534 /nfs/dbraw/zinc/56/85/34/553568534.db2.gz WZFYFGCROVHACA-HKUYNNGSSA-N 1 0 368.481 2.292 20 30 FEEDRO N#Cc1cc(S(N)(=O)=O)ccc1NCCC[N@@H+]1CCc2ccccc2C1 ZINC000301342833 553643977 /nfs/dbraw/zinc/64/39/77/553643977.db2.gz JFWNSAMTBYBNLT-UHFFFAOYSA-N 1 0 370.478 2.066 20 30 FEEDRO C[C@H]1CCC[N@H+](CCCCNc2ccc(S(N)(=O)=O)cc2C#N)C1 ZINC000301388730 553647991 /nfs/dbraw/zinc/64/79/91/553647991.db2.gz YRFVGOZTGZYNBD-AWEZNQCLSA-N 1 0 350.488 2.130 20 30 FEEDRO C=CC[NH+]1CCC(Nc2ncc(C(=O)N3CCOCC3)cc2Cl)CC1 ZINC000301406397 553649001 /nfs/dbraw/zinc/64/90/01/553649001.db2.gz UZMCLPYLIBOFMA-UHFFFAOYSA-N 1 0 364.877 2.270 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)c(Cl)c1 ZINC000326247755 553779515 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COC[C@@H]1CCN(C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)C1 ZINC000328790200 553822759 /nfs/dbraw/zinc/82/27/59/553822759.db2.gz LGOIXFXIFOXSNX-QGZVFWFLSA-N 1 0 353.507 2.151 20 30 FEEDRO C[N@H+](CC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1)[C@H]1CCSC1 ZINC000328824103 553828342 /nfs/dbraw/zinc/82/83/42/553828342.db2.gz RJPNHDBPEPEVQA-IBGZPJMESA-N 1 0 372.538 2.030 20 30 FEEDRO COCc1ncsc1C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000328842870 553831289 /nfs/dbraw/zinc/83/12/89/553831289.db2.gz WBFAAGKMYJMOCT-CABCVRRESA-N 1 0 353.488 2.362 20 30 FEEDRO CCC[NH+]1CCC(CNC(=O)[C@@H]2CC(=O)N(C)[C@H]2c2ccnn2C)CC1 ZINC000328858660 553834707 /nfs/dbraw/zinc/83/47/07/553834707.db2.gz LADMBHOVVSGEEQ-CRAIPNDOSA-N 1 0 361.490 2.018 20 30 FEEDRO C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)N[C@@H]1CC[N@@H+]3CCCC[C@@H]13)C2=O ZINC000328923081 553845628 /nfs/dbraw/zinc/84/56/28/553845628.db2.gz MXDGBYZSXJGTNF-CUYVQJCZSA-N 1 0 362.474 2.275 20 30 FEEDRO C[C@]1(O)CCOC[C@H]1[C@H]1CCC[N@@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000328954679 553852595 /nfs/dbraw/zinc/85/25/95/553852595.db2.gz IOAYALHSYDSQRK-QKLQHJQFSA-N 1 0 368.437 2.360 20 30 FEEDRO Cc1noc([C@H](NC(=O)N[C@H](C)C[NH+]2CCCCC2)C2CCOCC2)n1 ZINC000329022029 553866593 /nfs/dbraw/zinc/86/65/93/553866593.db2.gz IEQWWWLYDBJDAO-CZUORRHYSA-N 1 0 365.478 2.224 20 30 FEEDRO CC(C)n1nccc1[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000329032703 553868594 /nfs/dbraw/zinc/86/85/94/553868594.db2.gz QDYRMPCMBOUORP-LZLYRXPVSA-N 1 0 363.506 2.134 20 30 FEEDRO CO[C@H]1C[C@@H](C(N)=O)N(C(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)C1 ZINC000329038008 553868976 /nfs/dbraw/zinc/86/89/76/553868976.db2.gz ZKTXULOIRXFTAG-JYJNAYRXSA-N 1 0 352.479 2.322 20 30 FEEDRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000329036648 553869108 /nfs/dbraw/zinc/86/91/08/553869108.db2.gz YXDQUKIQQLZKRT-SJORKVTESA-N 1 0 365.522 2.045 20 30 FEEDRO Cn1nccc1[C@@H]1OCCC[C@H]1C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000329038911 553869636 /nfs/dbraw/zinc/86/96/36/553869636.db2.gz SBZSFBJDLOFPTE-FRFSOERESA-N 1 0 352.504 2.282 20 30 FEEDRO CC[NH+]1CCC(CCNC(=O)N2CC[C@H]3[C@@H](C2)NC(=O)N3C(C)C)CC1 ZINC000329041515 553870157 /nfs/dbraw/zinc/87/01/57/553870157.db2.gz IHWOHNJBTKZIHL-SJORKVTESA-N 1 0 365.522 2.103 20 30 FEEDRO CN1CCOC[C@@H]1C(=O)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000329049728 553871513 /nfs/dbraw/zinc/87/15/13/553871513.db2.gz WCQZBJDJARDPOP-QZTJIDSGSA-N 1 0 374.485 2.221 20 30 FEEDRO C[C@H](CNC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)[NH+]1CCC(C)CC1 ZINC000506108594 561690652 /nfs/dbraw/zinc/69/06/52/561690652.db2.gz JUYPKIVNIHLHOG-BEFAXECRSA-N 1 0 351.491 2.485 20 30 FEEDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N[C@H]2CCO[C@@H]2c2nccn2C)C1 ZINC000329081362 553876900 /nfs/dbraw/zinc/87/69/00/553876900.db2.gz RRTSRFLVQRJGFK-IKGGRYGDSA-N 1 0 363.506 2.122 20 30 FEEDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O ZINC000329112366 553882474 /nfs/dbraw/zinc/88/24/74/553882474.db2.gz HBOLQFUJGKLHGM-SSHHRWTQSA-N 1 0 364.490 2.234 20 30 FEEDRO CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCN2C(=O)c2ccc3c(c2)OCO3)C1 ZINC000329116385 553883020 /nfs/dbraw/zinc/88/30/20/553883020.db2.gz IOHLTCFZKKBBKC-JKSUJKDBSA-N 1 0 373.453 2.461 20 30 FEEDRO O=C(N[C@@H]1CCO[C@]2(CCOC2)C1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000329130311 553885816 /nfs/dbraw/zinc/88/58/16/553885816.db2.gz WWMYFYAJRKSBBI-ZHALLVOQSA-N 1 0 351.491 2.189 20 30 FEEDRO C[C@@H](NC(=O)NC1CC[NH+](Cc2ccccc2)CC1)c1nnc2n1CCC2 ZINC000329147573 553889048 /nfs/dbraw/zinc/88/90/48/553889048.db2.gz AXLXWWJACDGNCE-OAHLLOKOSA-N 1 0 368.485 2.454 20 30 FEEDRO O=C(N[C@@H]1CCO[C@]2(CCOC2)C1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000329148397 553889825 /nfs/dbraw/zinc/88/98/25/553889825.db2.gz PRZVPVGLVJXYAR-ZIFCJYIRSA-N 1 0 351.491 2.189 20 30 FEEDRO CN1CC[C@@H]([NH+]2CCC(NC(=O)c3ncccc3C(F)(F)F)CC2)C1=O ZINC000329153873 553890144 /nfs/dbraw/zinc/89/01/44/553890144.db2.gz BTKNXENBDRGNTJ-CYBMUJFWSA-N 1 0 370.375 2.100 20 30 FEEDRO CC(C)[C@@H]1C[C@H](NC(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CCO1 ZINC000329154497 553890716 /nfs/dbraw/zinc/89/07/16/553890716.db2.gz URPDLQXJQSFFPS-BDXSIMOUSA-N 1 0 353.507 2.071 20 30 FEEDRO C[C@]1(O)CCOC[C@@H]1[C@@H]1CCCN1C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000329157120 553891600 /nfs/dbraw/zinc/89/16/00/553891600.db2.gz CGYAAIMJJYFLME-DMUMMCEESA-N 1 0 365.518 2.169 20 30 FEEDRO O=C(Nc1cccc(C[NH+]2CCC(O)CC2)c1)[C@@H]1CCc2n[nH]nc2C1 ZINC000329166181 553893480 /nfs/dbraw/zinc/89/34/80/553893480.db2.gz HYGKHNFEWMBKKN-CQSZACIVSA-N 1 0 355.442 2.155 20 30 FEEDRO O=C(N[C@@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000329172924 553894897 /nfs/dbraw/zinc/89/48/97/553894897.db2.gz AJUUFVMXRAWDGC-KYJSFNMBSA-N 1 0 370.515 2.086 20 30 FEEDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC(=O)N(C)[C@@H]1c1cnn(C)c1 ZINC000329175584 553895474 /nfs/dbraw/zinc/89/54/74/553895474.db2.gz BOKIISOWRUBZIJ-LZLYRXPVSA-N 1 0 361.490 2.161 20 30 FEEDRO CC(=O)N1CCC[C@H](C(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2ccnn2C)C1 ZINC000329173555 553895652 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362.518 2.391 20 30 FEEDRO CC(=O)Nc1ncc(S(=O)(=O)NC[C@@H]2CCCn3cc(C)nc32)s1 ZINC000329254802 553911732 /nfs/dbraw/zinc/91/17/32/553911732.db2.gz DDINOHHGDPJDEG-NSHDSACASA-N 1 0 369.472 2.112 20 30 FEEDRO C[C@H](NC(=O)c1cccc(S(=O)(=O)NC2CC2)c1)C1=CC[N@H+](C)CC1 ZINC000329258805 553913116 /nfs/dbraw/zinc/91/31/16/553913116.db2.gz AAGOBBMMHMNLFQ-ZDUSSCGKSA-N 1 0 363.483 2.082 20 30 FEEDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCO[C@@]3(CCCOC3)C2)C1 ZINC000329276949 553915747 /nfs/dbraw/zinc/91/57/47/553915747.db2.gz LKSPHDPGPATBNY-APWZRJJASA-N 1 0 353.507 2.292 20 30 FEEDRO CC(=O)Nc1ncc(S(=O)(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)s1 ZINC000329279008 553916398 /nfs/dbraw/zinc/91/63/98/553916398.db2.gz MHWBQEQSYBOPPP-NSHDSACASA-N 1 0 358.489 2.046 20 30 FEEDRO C[C@H](NC(=O)N1CCN(C(=O)C2CCCCC2)CC1)C1=CC[N@H+](C)CC1 ZINC000329281808 553917219 /nfs/dbraw/zinc/91/72/19/553917219.db2.gz FBNNJAHPXNUISU-INIZCTEOSA-N 1 0 362.518 2.275 20 30 FEEDRO CC(C)[C@H](NC(=O)NCc1ccccc1)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000329305402 553921985 /nfs/dbraw/zinc/92/19/85/553921985.db2.gz YHPAQQGQGNBKJH-IBGZPJMESA-N 1 0 372.513 2.412 20 30 FEEDRO O=C(NCc1cccc(CN2CCCC2=O)c1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000329327153 553925952 /nfs/dbraw/zinc/92/59/52/553925952.db2.gz XBDNNAOUMVKIBE-KRWDZBQOSA-N 1 0 356.470 2.049 20 30 FEEDRO C[NH+]1CCN(Cc2ccc(CNC(=O)c3ccc(F)c(C#N)c3)cc2)CC1 ZINC000506512430 561700694 /nfs/dbraw/zinc/70/06/94/561700694.db2.gz ULKUTEUCZVWEBS-UHFFFAOYSA-N 1 0 366.440 2.375 20 30 FEEDRO Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)cc1 ZINC000329338552 553928396 /nfs/dbraw/zinc/92/83/96/553928396.db2.gz NDWOFMLQLPAQFG-GJZGRUSLSA-N 1 0 365.499 2.269 20 30 FEEDRO Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000329383606 553935558 /nfs/dbraw/zinc/93/55/58/553935558.db2.gz RFCXQZZWBZCKMB-SFHVURJKSA-N 1 0 373.476 2.373 20 30 FEEDRO C[C@@H]1CCC[C@](CNC(=O)N2CCC[C@@H]2[C@@H]2COCC[C@@H]2O)([NH+](C)C)C1 ZINC000329400934 553939097 /nfs/dbraw/zinc/93/90/97/553939097.db2.gz 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C[C@H]1C[C@@H](C(=O)NC[C@@H]2C[C@H](F)CN2Cc2nccn2C)CC[N@@H+]1C ZINC000329550309 553966331 /nfs/dbraw/zinc/96/63/31/553966331.db2.gz FMWWPIZPESQAET-VGWMRTNUSA-N 1 0 351.470 2.019 20 30 FEEDRO CC1=CC[N@H+](CCNC(=O)NC2CCN(C(=O)c3ccccc3)CC2)CC1 ZINC000329611609 553976479 /nfs/dbraw/zinc/97/64/79/553976479.db2.gz DHNHTPBNVWKLBQ-UHFFFAOYSA-N 1 0 370.497 2.447 20 30 FEEDRO Cc1ccc(N2CCC[C@H](NC(=O)N3CC[C@H]([NH+]4CCCCC4)C3)C2)nn1 ZINC000329656714 553983154 /nfs/dbraw/zinc/98/31/54/553983154.db2.gz GKMAGQMSLNRSLU-ROUUACIJSA-N 1 0 372.517 2.228 20 30 FEEDRO Cc1ccc(N2CCC[C@H](NC(=O)N3CCC[C@@H]3C[NH+]3CCCC3)C2)nn1 ZINC000329684590 553987937 /nfs/dbraw/zinc/98/79/37/553987937.db2.gz UHIULMIRECQLHD-ZWKOTPCHSA-N 1 0 372.517 2.228 20 30 FEEDRO Cn1ccnc1[C@H](NC(=O)C(=O)Nc1ccc(C#N)cc1Cl)C1CC1 ZINC000507386776 561727771 /nfs/dbraw/zinc/72/77/71/561727771.db2.gz WIEJENPAPXQFGD-CQSZACIVSA-N 1 0 357.801 2.151 20 30 FEEDRO C[C@@H]1C[C@@H](NC(=O)N2CCN(c3ncnc4ccsc43)CC2)CC[N@@H+]1C ZINC000329806250 554009134 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UDJUCSQZCYYIQC-APWZRJJASA-N 1 0 353.507 2.435 20 30 FEEDRO O=C(Cn1c(=O)[nH]c2ccccc2c1=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000329943494 554036814 /nfs/dbraw/zinc/03/68/14/554036814.db2.gz HTAPWNITLQFGPD-CQSZACIVSA-N 1 0 356.426 2.076 20 30 FEEDRO C[C@@H]1CCN(C(=O)NC[C@]2([NH+](C)C)CCSC2)C[C@@H]1n1ccnc1 ZINC000329948900 554037439 /nfs/dbraw/zinc/03/74/39/554037439.db2.gz LBOSZADNHWFZDR-HLLBOEOZSA-N 1 0 351.520 2.117 20 30 FEEDRO CC(=O)N1CCC[C@H](CNC(=O)NC[C@]2([NH+](C)C)CCC[C@H](C)C2)C1 ZINC000329953429 554037914 /nfs/dbraw/zinc/03/79/14/554037914.db2.gz JIEHFTGJPRIPJG-WDYCEAGBSA-N 1 0 352.523 2.259 20 30 FEEDRO CCC[N@@H+]1CCC[C@H]1C(=O)Nc1cnn(Cc2nnc3n2CCCC3)c1 ZINC000329957476 554039037 /nfs/dbraw/zinc/03/90/37/554039037.db2.gz PLZXPZURNJZMPA-HNNXBMFYSA-N 1 0 357.462 2.322 20 30 FEEDRO O=C(NC[C@H](O)C1CCOCC1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000330008014 554048658 /nfs/dbraw/zinc/04/86/58/554048658.db2.gz FBDBNKFBNGRWPO-SFHVURJKSA-N 1 0 353.507 2.075 20 30 FEEDRO CC(=O)N1CCC[C@H](CNC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000330029504 554052080 /nfs/dbraw/zinc/05/20/80/554052080.db2.gz QCNFRMVSYNXDPZ-QZTJIDSGSA-N 1 0 350.507 2.109 20 30 FEEDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CCC(O[C@H]2CCOC2)CC1 ZINC000330089155 554062953 /nfs/dbraw/zinc/06/29/53/554062953.db2.gz VLWWWTUKABHVBM-RYRKJORJSA-N 1 0 353.507 2.291 20 30 FEEDRO C[C@H]1N(CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)CCOC1(C)C ZINC000330094988 554063368 /nfs/dbraw/zinc/06/33/68/554063368.db2.gz URZDIWBBLWFKOG-QGZVFWFLSA-N 1 0 367.534 2.477 20 30 FEEDRO CC[C@H](C)n1ncc(NC(=O)N2CC[C@H](N3CC[NH+](CC)CC3)C2)c1C ZINC000330097440 554063848 /nfs/dbraw/zinc/06/38/48/554063848.db2.gz ASEVVUUSOXFTAX-RDJZCZTQSA-N 1 0 362.522 2.420 20 30 FEEDRO O=C(Nc1cccc(C[NH+]2CCC(O)CC2)c1)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC000330155069 554074989 /nfs/dbraw/zinc/07/49/89/554074989.db2.gz YBQFRXHGEIZRNE-ZYSHUDEJSA-N 1 0 360.454 2.283 20 30 FEEDRO Cn1nccc1[C@@H]1OCC[C@H]1C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000330195116 554082633 /nfs/dbraw/zinc/08/26/33/554082633.db2.gz PAYWJRWPQILRQO-NVXWUHKLSA-N 1 0 362.474 2.099 20 30 FEEDRO O=C(NCC1([NH+]2CCCC2)CCOCC1)N[C@@H]1CCOC2(CCC2)C1 ZINC000330218736 554087547 /nfs/dbraw/zinc/08/75/47/554087547.db2.gz OWWAOLSFFOHQIG-MRXNPFEDSA-N 1 0 351.491 2.237 20 30 FEEDRO O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)N1CCOC[C@H]1c1ccccc1 ZINC000330225483 554088690 /nfs/dbraw/zinc/08/86/90/554088690.db2.gz OFMZDVBMSWVEJH-AABGKKOBSA-N 1 0 373.497 2.352 20 30 FEEDRO CC(C)(C(N)=O)N1CCN(C(=O)NC2CC[NH+](C3CCCC3)CC2)CC1 ZINC000330240273 554091395 /nfs/dbraw/zinc/09/13/95/554091395.db2.gz FDURMAGELFUHIW-UHFFFAOYSA-N 1 0 365.522 2.239 20 30 FEEDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@@H]1CCOC2(CCOCC2)C1 ZINC000330256466 554094105 /nfs/dbraw/zinc/09/41/05/554094105.db2.gz KPXNSPNWGIQWOY-IAGOWNOFSA-N 1 0 353.507 2.483 20 30 FEEDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H]1CCOC2(CCOCC2)C1 ZINC000330272958 554096964 /nfs/dbraw/zinc/09/69/64/554096964.db2.gz YKOMZQCWYGHBON-ZACQAIPSSA-N 1 0 351.491 2.187 20 30 FEEDRO CCN(C[C@H](C)C#N)S(=O)(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000330378702 554113430 /nfs/dbraw/zinc/11/34/30/554113430.db2.gz ROVOLGHFOFBAGD-OWCLPIDISA-N 1 0 358.552 2.059 20 30 FEEDRO CC1CC[NH+](C2CCC(NC(=O)NC[C@H](O)C(F)(F)F)CC2)CC1 ZINC000330386423 554114389 /nfs/dbraw/zinc/11/43/89/554114389.db2.gz UYUZNSQKZFEZQP-RUXDESIVSA-N 1 0 351.413 2.456 20 30 FEEDRO CC[NH+](CC)C[C@@H](C)NC(=O)N1CCN(C(=O)c2ccc(C)cc2)CC1 ZINC000330477176 554126272 /nfs/dbraw/zinc/12/62/72/554126272.db2.gz IIZMKJGTVJWOGX-QGZVFWFLSA-N 1 0 360.502 2.397 20 30 FEEDRO CCC[NH+]1CCC(CNC(=O)N2CCC(NC(=O)C(C)C)CC2)CC1 ZINC000330481823 554126619 /nfs/dbraw/zinc/12/66/19/554126619.db2.gz QKZGOQVPQVQHFB-UHFFFAOYSA-N 1 0 352.523 2.259 20 30 FEEDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)Cc2cc(C#N)ccc2F)[C@H](C)C1 ZINC000330588412 554142269 /nfs/dbraw/zinc/14/22/69/554142269.db2.gz YUWLLHFCSIUFLW-CXAGYDPISA-N 1 0 353.463 2.189 20 30 FEEDRO CCCS(=O)(=O)Nc1cccc(NC(=O)N2CC[N@H+](C)[C@@H](C)[C@@H]2C)c1 ZINC000330708580 554160845 /nfs/dbraw/zinc/16/08/45/554160845.db2.gz NTACTEPKVWNQHI-KBPBESRZSA-N 1 0 368.503 2.408 20 30 FEEDRO CC(C)NC(=O)N1CCC[C@H]1C(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000330971443 554195830 /nfs/dbraw/zinc/19/58/30/554195830.db2.gz JWYVAIKHGXHHQN-GJZGRUSLSA-N 1 0 352.504 2.254 20 30 FEEDRO C=CCn1c(Cn2nc(C)cc2C)nnc1N1CCC([NH+]2CCCC2)CC1 ZINC000508951783 561779135 /nfs/dbraw/zinc/77/91/35/561779135.db2.gz OCQUPWZPMXACMM-UHFFFAOYSA-N 1 0 369.517 2.390 20 30 FEEDRO COC(=O)[C@]1(C)C[N@@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@H]1C ZINC000331477176 554271820 /nfs/dbraw/zinc/27/18/20/554271820.db2.gz PQDRVLBOYLEOGR-CFLQYTFWSA-N 1 0 355.438 2.185 20 30 FEEDRO CS[C@@H]1CN([C@H](C)C(=O)Nc2cccc(C#N)c2)C[C@H]1[NH+]1CCCC1 ZINC000331526101 554280471 /nfs/dbraw/zinc/28/04/71/554280471.db2.gz FWSMGJAUKGHDHR-ZTFGCOKTSA-N 1 0 358.511 2.397 20 30 FEEDRO Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N3CC[NH+](CC(C)C)CC3)C2)n1 ZINC000331553857 554283931 /nfs/dbraw/zinc/28/39/31/554283931.db2.gz NQAAGKGFTMSGCL-IBGZPJMESA-N 1 0 369.513 2.278 20 30 FEEDRO CC[N@H+](CCC1CCN(S(=O)(=O)N(C)[C@@H](C)CC#N)CC1)CC1CC1 ZINC000509202708 561789789 /nfs/dbraw/zinc/78/97/89/561789789.db2.gz LFRJOTYYIFOZLJ-INIZCTEOSA-N 1 0 370.563 2.299 20 30 FEEDRO CC(C)(C)c1csc(NC(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1C#N ZINC000331837069 554327954 /nfs/dbraw/zinc/32/79/54/554327954.db2.gz SEKJCCQJFFTBDG-NJZAAPMLSA-N 1 0 374.510 2.442 20 30 FEEDRO CC(C)(C)c1csc(NC(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1C#N ZINC000331837064 554327968 /nfs/dbraw/zinc/32/79/68/554327968.db2.gz SEKJCCQJFFTBDG-LNSITVRQSA-N 1 0 374.510 2.442 20 30 FEEDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000509439617 561799761 /nfs/dbraw/zinc/79/97/61/561799761.db2.gz XQEHWOFYQYXJNF-LSDHHAIUSA-N 1 0 367.415 2.198 20 30 FEEDRO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)Cc1cc(C#N)ccc1F ZINC000332626148 554486428 /nfs/dbraw/zinc/48/64/28/554486428.db2.gz OQYROSXEBAVLTO-CVEARBPZSA-N 1 0 351.447 2.086 20 30 FEEDRO C[C@@H]1CN(C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)[C@@H](C)C[NH2+]1 ZINC000333584582 554625643 /nfs/dbraw/zinc/62/56/43/554625643.db2.gz AMYMJVWHWXYKFD-VBJONLRCSA-N 1 0 357.458 2.035 20 30 FEEDRO C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CCC(F)(C#N)CC1 ZINC000510905665 561850223 /nfs/dbraw/zinc/85/02/23/561850223.db2.gz RJJYUEQUNWRPEO-KRWDZBQOSA-N 1 0 372.488 2.483 20 30 FEEDRO C[NH+](C)CCOc1cccc(NC(=O)C(=O)NCC(C)(C)CCC#N)c1 ZINC000510960214 561852209 /nfs/dbraw/zinc/85/22/09/561852209.db2.gz SXDCRLRTBZFHBM-UHFFFAOYSA-N 1 0 360.458 2.012 20 30 FEEDRO C=CCNC(=O)C[N@H+]1CCC[C@H]([C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000360145820 554864487 /nfs/dbraw/zinc/86/44/87/554864487.db2.gz AEUYPTSBYYBDQO-JKSUJKDBSA-N 1 0 351.491 2.400 20 30 FEEDRO Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N1CCC[C@H]([NH2+]C(C)C)C1 ZINC000613161000 554894514 /nfs/dbraw/zinc/89/45/14/554894514.db2.gz JLPWSZMSGBDAKS-INIZCTEOSA-N 1 0 367.457 2.442 20 30 FEEDRO C=CCOc1cccc(NC(=O)C(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)c1 ZINC000361479423 554921469 /nfs/dbraw/zinc/92/14/69/554921469.db2.gz UIAFPDPAWPWEGC-SNRMKQJTSA-N 1 0 369.465 2.133 20 30 FEEDRO COc1cc(C#N)ccc1OCCCC(=O)N1CC[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000361904443 554937504 /nfs/dbraw/zinc/93/75/04/554937504.db2.gz ACDFCIWXIAMFEG-DLBZAZTESA-N 1 0 357.454 2.278 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N[C@H](c2nc(C)no2)c2ccccc2)CC1 ZINC000361943886 554939909 /nfs/dbraw/zinc/93/99/09/554939909.db2.gz MHXHHVHWJOJGEA-KRWDZBQOSA-N 1 0 355.442 2.417 20 30 FEEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1CCCc2cn[nH]c21 ZINC000362407489 554970560 /nfs/dbraw/zinc/97/05/60/554970560.db2.gz JIJDSYZUAYHMNJ-GOSISDBHSA-N 1 0 351.454 2.292 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCC[C@H]1C(=O)NC1CC1)C(C)C ZINC000362473552 554974311 /nfs/dbraw/zinc/97/43/11/554974311.db2.gz NNOGFJQRXWZUDD-ROUUACIJSA-N 1 0 362.518 2.138 20 30 FEEDRO C[C@H]1CN(c2nc3c(cc2C#N)CCCC3)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000362660264 554979337 /nfs/dbraw/zinc/97/93/37/554979337.db2.gz VSDSOFKIJSULDH-JXFKEZNVSA-N 1 0 353.514 2.294 20 30 FEEDRO CN(C(=O)c1c(F)cc(C#N)cc1F)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000362834308 554991741 /nfs/dbraw/zinc/99/17/41/554991741.db2.gz KTFASYJTFBYZCC-HNNXBMFYSA-N 1 0 362.424 2.077 20 30 FEEDRO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCC[C@@H](C(=O)NC2CCCCC2)C1 ZINC000363045838 555017431 /nfs/dbraw/zinc/01/74/31/555017431.db2.gz PBSIZYIELFRIOV-DLBZAZTESA-N 1 0 362.518 2.155 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N2CCC([C@@H]3C(=O)Nc4ccccc43)CC2)CC1 ZINC000363120182 555034343 /nfs/dbraw/zinc/03/43/43/555034343.db2.gz OREHNMRUFZHDBD-FQEVSTJZSA-N 1 0 365.477 2.306 20 30 FEEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[N@@H+](CC(C)C)CC1 ZINC000363378714 555089858 /nfs/dbraw/zinc/08/98/58/555089858.db2.gz CPYNQWKEQQDLGV-UHFFFAOYSA-N 1 0 358.486 2.399 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](C)c2nnc3n2CCCCC3)CC1 ZINC000363392183 555093455 /nfs/dbraw/zinc/09/34/55/555093455.db2.gz DOCJAZLMKAWFJO-HNNXBMFYSA-N 1 0 360.506 2.405 20 30 FEEDRO C=CCc1cc(C[NH2+][C@@H]2CCCc3c2cnn3CCO)cc(OC)c1O ZINC000363411988 555099385 /nfs/dbraw/zinc/09/93/85/555099385.db2.gz NQBVMCJXRRGVJT-QGZVFWFLSA-N 1 0 357.454 2.485 20 30 FEEDRO C#CCNC(=O)C1CC[NH+]([C@H]2CCCN(c3ccc(F)cc3C)C2=O)CC1 ZINC000363547177 555133806 /nfs/dbraw/zinc/13/38/06/555133806.db2.gz RCVJZVHPWDMULP-IBGZPJMESA-N 1 0 371.456 2.091 20 30 FEEDRO C=CCN(C(=O)NCCc1cnn(C)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000363825832 555194371 /nfs/dbraw/zinc/19/43/71/555194371.db2.gz PNVVRHXNCFMXSN-FQEVSTJZSA-N 1 0 367.497 2.435 20 30 FEEDRO CC(=O)N1CCC[C@H]1[C@H]1CCC[N@H+]1CC(=O)N(C)C1(C#N)CCCCC1 ZINC000364019605 555234871 /nfs/dbraw/zinc/23/48/71/555234871.db2.gz LWMMPZHESFAIHS-MSOLQXFVSA-N 1 0 360.502 2.147 20 30 FEEDRO C=C(C)C[N@@H+](Cc1ccc(CO)o1)C[C@H](O)COc1ccc(C#N)cc1 ZINC000512199798 561895849 /nfs/dbraw/zinc/89/58/49/561895849.db2.gz DMARUXBTEOPREK-KRWDZBQOSA-N 1 0 356.422 2.462 20 30 FEEDRO N#Cc1cc(NC(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)ccc1N1CCC(O)CC1 ZINC000364090484 555247721 /nfs/dbraw/zinc/24/77/21/555247721.db2.gz NIKYQEYHOJGAOZ-SJLPKXTDSA-N 1 0 368.481 2.332 20 30 FEEDRO N#CC1(NC(=O)CN2CCCN(Cc3ccc(Cl)cc3)CC2)CCC1 ZINC000364135079 555256626 /nfs/dbraw/zinc/25/66/26/555256626.db2.gz ISUCAWSDJDAIPO-UHFFFAOYSA-N 1 0 360.889 2.410 20 30 FEEDRO CC(C)[C@H](CNC(=O)C1(c2cc(F)cc(C#N)c2)CC1)[NH+]1CCN(C)CC1 ZINC000512298668 561899048 /nfs/dbraw/zinc/89/90/48/561899048.db2.gz HPYSMTHSMQBWJT-IBGZPJMESA-N 1 0 372.488 2.117 20 30 FEEDRO C[C@H](Oc1ccc(C#N)cc1)C(=O)N[C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@@H]1C ZINC000364553921 555336991 /nfs/dbraw/zinc/33/69/91/555336991.db2.gz CUVMXHFJWVZTGR-CPLUKWAASA-N 1 0 371.481 2.331 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H](c2nc[nH]n2)c2ccccc2)CC1 ZINC000364755106 555394605 /nfs/dbraw/zinc/39/46/05/555394605.db2.gz AMEZUHKOAMDIKZ-KRWDZBQOSA-N 1 0 354.458 2.234 20 30 FEEDRO Cc1cc(CNc2cccc(S(=O)(=O)NCC[NH+](C)C)c2)ccc1C#N ZINC000512652062 561911455 /nfs/dbraw/zinc/91/14/55/561911455.db2.gz HQWDYAUEONZDRB-UHFFFAOYSA-N 1 0 372.494 2.319 20 30 FEEDRO COC(=O)[C@@H]1C[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2)CC1(C)C ZINC000364764601 555396489 /nfs/dbraw/zinc/39/64/89/555396489.db2.gz OLKPRQZYBUEOPK-RDJZCZTQSA-N 1 0 357.454 2.453 20 30 FEEDRO COC(=O)[C@H]1C[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2)CC1(C)C ZINC000364764599 555396801 /nfs/dbraw/zinc/39/68/01/555396801.db2.gz OLKPRQZYBUEOPK-DOTOQJQBSA-N 1 0 357.454 2.453 20 30 FEEDRO N#Cc1ncn(CC[NH2+]Cc2cn(-c3ccccc3)nc2-c2cccnc2)n1 ZINC000512855474 561918047 /nfs/dbraw/zinc/91/80/47/561918047.db2.gz IDPLDKGGFZCNLG-UHFFFAOYSA-N 1 0 370.420 2.187 20 30 FEEDRO C=CCN(C(=O)[C@@H]1CCCN1C(C)=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000365258460 555525286 /nfs/dbraw/zinc/52/52/86/555525286.db2.gz OSSHSCVPLAQSBK-PMACEKPBSA-N 1 0 355.482 2.286 20 30 FEEDRO CC(C)[N@@H+](CC(=O)N1CCCCCC1)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000513265584 561931661 /nfs/dbraw/zinc/93/16/61/561931661.db2.gz GMFUGXLHJHUMLF-LJQANCHMSA-N 1 0 373.497 2.411 20 30 FEEDRO CCOC(=O)CCCCC[N@@H+]1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000513659952 561946239 /nfs/dbraw/zinc/94/62/39/561946239.db2.gz IKYYROWTLMWCIR-FOIQADDNSA-N 1 0 355.438 2.455 20 30 FEEDRO CC[C@@H]1CN(Cc2nnc(-c3ccc(C#N)cc3)o2)C[C@@]2(CCOC2)O1 ZINC000366579858 555881884 /nfs/dbraw/zinc/88/18/84/555881884.db2.gz XAXNXWIADJJJOR-VQIMIIECSA-N 1 0 354.410 2.378 20 30 FEEDRO CN1CC[NH+](C[C@@H]2CCCN(c3nc4c(cc3C#N)CCCC4)C2)CC1 ZINC000367342844 556023313 /nfs/dbraw/zinc/02/33/13/556023313.db2.gz RLZVYXAAFBPIBJ-KRWDZBQOSA-N 1 0 353.514 2.296 20 30 FEEDRO CN1CCC(CNC(=O)c2ccc(F)c(C#N)c2)([NH+]2CCCCC2)CC1 ZINC000367400562 556038543 /nfs/dbraw/zinc/03/85/43/556038543.db2.gz WEJHRGIMYQOCBE-UHFFFAOYSA-N 1 0 358.461 2.377 20 30 FEEDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1ccc(-n2ncc(C#N)c2N)cc1 ZINC000367464690 556057163 /nfs/dbraw/zinc/05/71/63/556057163.db2.gz IRYVZYQAYBDWAS-KDOFPFPSSA-N 1 0 364.453 2.025 20 30 FEEDRO C=CCc1cc(C[N@@H+]2C[C@@H](C(N)=O)[C@H](C(F)(F)F)C2)cc(OC)c1O ZINC000367468176 556058413 /nfs/dbraw/zinc/05/84/13/556058413.db2.gz CKGBLLOIXLGQQT-CHWSQXEVSA-N 1 0 358.360 2.225 20 30 FEEDRO COC(=O)[C@]12CCC[C@H]1CN([C@H](C)C(=O)Nc1oc(C)c(C)c1C#N)C2 ZINC000367794137 556141260 /nfs/dbraw/zinc/14/12/60/556141260.db2.gz KRUUVWCMHFDGRT-UHYGZKCKSA-N 1 0 359.426 2.370 20 30 FEEDRO CC(C)[N@@H+]1CC[C@@H](N(C)CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1 ZINC000514993737 561990587 /nfs/dbraw/zinc/99/05/87/561990587.db2.gz KBVBZDGXYZMCPQ-GOSISDBHSA-N 1 0 366.469 2.097 20 30 FEEDRO N#Cc1c(F)ccc(C[NH2+][C@@H]2CCC(=O)N[C@@H]2[C@H]2CCCO2)c1Cl ZINC000368082774 556213457 /nfs/dbraw/zinc/21/34/57/556213457.db2.gz ZOYLSXKUYBBGDH-CPUCHLNUSA-N 1 0 351.809 2.267 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)o1 ZINC000368086389 556214883 /nfs/dbraw/zinc/21/48/83/556214883.db2.gz XBMCINGQQMCYQV-SJORKVTESA-N 1 0 371.462 2.294 20 30 FEEDRO CC[C@@H](CC#N)[NH2+]C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 ZINC000368136756 556227492 /nfs/dbraw/zinc/22/74/92/556227492.db2.gz XWRAFQXOILILDE-AWEZNQCLSA-N 1 0 351.472 2.130 20 30 FEEDRO CN(CCC#N)C[C@@H](O)C[NH2+][C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 ZINC000515468145 562011488 /nfs/dbraw/zinc/01/14/88/562011488.db2.gz KHWKFKAJWDZAPW-HIFRSBDPSA-N 1 0 371.312 2.368 20 30 FEEDRO C[C@H](C(=O)N1CCC(Nc2ccc(C#N)cn2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000368732412 556400387 /nfs/dbraw/zinc/40/03/87/556400387.db2.gz JUGWEEDRPNDPDV-OWCLPIDISA-N 1 0 355.486 2.617 20 30 FEEDRO N#Cc1ccc(OC[C@H](O)C[NH2+][C@@H]2CCN(c3ccc(F)cc3)C2)cc1 ZINC000515638009 562017842 /nfs/dbraw/zinc/01/78/42/562017842.db2.gz NGVFTFOBOGFFMQ-IEBWSBKVSA-N 1 0 355.413 2.306 20 30 FEEDRO N#Cc1ccccc1N1CCC[C@@H](NC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000369136288 556513421 /nfs/dbraw/zinc/51/34/21/556513421.db2.gz CBKGSHGHZCAXTR-RTBURBONSA-N 1 0 367.497 2.407 20 30 FEEDRO CN1C(=O)[C@@H]2C[N@H+](Cc3ccc(-c4ccccc4C#N)cc3)CCN2C1=O ZINC000369460784 556605410 /nfs/dbraw/zinc/60/54/10/556605410.db2.gz FPONINAAHZHRAY-IBGZPJMESA-N 1 0 360.417 2.303 20 30 FEEDRO N#Cc1ccsc1NC(=O)CC[NH+]1CCC(Oc2cnccn2)CC1 ZINC000369631384 556652791 /nfs/dbraw/zinc/65/27/91/556652791.db2.gz PBVHJHJRITVBKT-UHFFFAOYSA-N 1 0 357.439 2.282 20 30 FEEDRO N#Cc1ccsc1NC(=O)CC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000369677956 556666394 /nfs/dbraw/zinc/66/63/94/556666394.db2.gz BFLQWUJUEQIRDC-UHFFFAOYSA-N 1 0 374.426 2.390 20 30 FEEDRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)c3cccc(SCC#N)c3)CC2)C1 ZINC000370215804 556813390 /nfs/dbraw/zinc/81/33/90/556813390.db2.gz MPCZNVPLFVHXSM-QGZVFWFLSA-N 1 0 358.511 2.154 20 30 FEEDRO C[N@H+](CCC(=O)Nc1ccc(C#N)cc1)C1CCN(c2cccnn2)CC1 ZINC000370433215 556871081 /nfs/dbraw/zinc/87/10/81/556871081.db2.gz JKKKLEDCFFTKRX-UHFFFAOYSA-N 1 0 364.453 2.278 20 30 FEEDRO N#CCCCN1CCCN(S(=O)(=O)c2cccc3cnccc32)CC1 ZINC000370749683 556957181 /nfs/dbraw/zinc/95/71/81/556957181.db2.gz NUDRREPBXATGQP-UHFFFAOYSA-N 1 0 358.467 2.235 20 30 FEEDRO CN(C(=O)/C=C/c1cccc(C#N)c1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000370818966 556977792 /nfs/dbraw/zinc/97/77/92/556977792.db2.gz IPVPHWYGGPDIRG-YJJPMGAVSA-N 1 0 352.482 2.198 20 30 FEEDRO CN(C(=O)/C=C/c1cccc(C#N)c1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000370818965 556977898 /nfs/dbraw/zinc/97/78/98/556977898.db2.gz IPVPHWYGGPDIRG-ROUKRRSUSA-N 1 0 352.482 2.198 20 30 FEEDRO N#C[C@@H]1CN(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)CCN1C1CC1 ZINC000370970093 557031141 /nfs/dbraw/zinc/03/11/41/557031141.db2.gz VOBNQUDLEBYGOQ-WOJBJXKFSA-N 1 0 367.497 2.205 20 30 FEEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000371241853 557117118 /nfs/dbraw/zinc/11/71/18/557117118.db2.gz DNXSJBBYJLMGBE-SFHVURJKSA-N 1 0 356.470 2.199 20 30 FEEDRO COCC[NH+]1CCC(NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)CC1 ZINC000371344289 557153795 /nfs/dbraw/zinc/15/37/95/557153795.db2.gz LDSOWGFJFLFYNQ-UHFFFAOYSA-N 1 0 368.481 2.468 20 30 FEEDRO Cc1ncc(S(=O)(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)cc1C#N ZINC000517469379 562090898 /nfs/dbraw/zinc/09/08/98/562090898.db2.gz FIQJVJSQBLZVHW-LJQANCHMSA-N 1 0 370.478 2.377 20 30 FEEDRO C#CCCOc1ccc(C[N@H+]2CCCN(C(=O)[C@H]3CCCO3)CC2)cc1 ZINC000371404170 557175224 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20 30 FEEDRO Cc1cc(C(=O)NC2(C#N)CC[NH+](C)CC2)c(C)n1Cc1ccccn1 ZINC000518299720 562108194 /nfs/dbraw/zinc/10/81/94/562108194.db2.gz JBAVSQOHNURKOY-UHFFFAOYSA-N 1 0 351.454 2.266 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N[C@H](c2nnc3ccccn32)C(C)C)CC1 ZINC000518531423 562113724 /nfs/dbraw/zinc/11/37/24/562113724.db2.gz ZDPUCUXNIOLKRC-KRWDZBQOSA-N 1 0 356.474 2.376 20 30 FEEDRO COC(=O)c1cn([C@@H]2CCC[N@H+](CCCOc3ccc(C#N)cc3)C2)nn1 ZINC000372034416 557362553 /nfs/dbraw/zinc/36/25/53/557362553.db2.gz WQYYYQXGDZYZSF-MRXNPFEDSA-N 1 0 369.425 2.042 20 30 FEEDRO C[C@@H]1C[C@]1(C#N)C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCC[N@H+](C)C2)cc1 ZINC000518689015 562116433 /nfs/dbraw/zinc/11/64/33/562116433.db2.gz GJIGYYGCZZFYNM-CFLQYTFWSA-N 1 0 354.454 2.341 20 30 FEEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCCCNC(C)=O ZINC000518729020 562117145 /nfs/dbraw/zinc/11/71/45/562117145.db2.gz YTNUISOBJYUZLA-UHFFFAOYSA-N 1 0 351.520 2.111 20 30 FEEDRO C[C@H]1CN(C(=O)Nc2ccc(F)c(C#N)c2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000372353632 557448658 /nfs/dbraw/zinc/44/86/58/557448658.db2.gz AYQNEBSMZQUARZ-KBXCAEBGSA-N 1 0 359.449 2.187 20 30 FEEDRO N#Cc1ccccc1Cn1cccc1CN1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000372462703 557477196 /nfs/dbraw/zinc/47/71/96/557477196.db2.gz IRSHHPHPDITEHY-FCHUYYIVSA-N 1 0 364.493 2.439 20 30 FEEDRO C=CCN(C(=O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000372598009 557516120 /nfs/dbraw/zinc/51/61/20/557516120.db2.gz COLIAGQKCCMPGF-KRWDZBQOSA-N 1 0 369.425 2.080 20 30 FEEDRO Cc1cc(C#N)cc(NC(=O)C(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)c1 ZINC000519584933 562135880 /nfs/dbraw/zinc/13/58/80/562135880.db2.gz XGDJYWUWYBDAII-UHFFFAOYSA-N 1 0 356.470 2.384 20 30 FEEDRO N#Cc1cnn2cc(CN3CCC(NC(=O)CC4CCCC4)CC3)cnc12 ZINC000519764550 562143109 /nfs/dbraw/zinc/14/31/09/562143109.db2.gz ATBLZAIPTUKXBS-UHFFFAOYSA-N 1 0 366.469 2.262 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(CC)Cc2cccc(F)c2)CC1 ZINC000519665824 562139112 /nfs/dbraw/zinc/13/91/12/562139112.db2.gz XMBICHPPKMPNGA-UHFFFAOYSA-N 1 0 361.461 2.331 20 30 FEEDRO CN(Cc1nccc(N)n1)[C@H]1CCN(Cc2ccc(F)c(C#N)c2Cl)C1 ZINC000373024002 557612263 /nfs/dbraw/zinc/61/22/63/557612263.db2.gz BOZYQPAHOKATJT-ZDUSSCGKSA-N 1 0 374.851 2.429 20 30 FEEDRO Cc1ccc(C[C@H](CO)[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)cc1C ZINC000519820118 562145278 /nfs/dbraw/zinc/14/52/78/562145278.db2.gz DBNHBKVVEMGBAO-LJQANCHMSA-N 1 0 372.490 2.142 20 30 FEEDRO CCN(CC(=O)NC(C)C)C(=O)C[N@@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC000520172982 562149887 /nfs/dbraw/zinc/14/98/87/562149887.db2.gz AKWNMDMKBSHCOO-UHFFFAOYSA-N 1 0 372.513 2.389 20 30 FEEDRO Cn1cc(C(=O)NC2CCN(Cc3ccc(Cl)cc3C#N)CC2)cn1 ZINC000373461247 557698308 /nfs/dbraw/zinc/69/83/08/557698308.db2.gz UTNUSCXRNIAMAA-UHFFFAOYSA-N 1 0 357.845 2.340 20 30 FEEDRO C[C@H](C(=O)NC1(C#N)CCCCC1)N1CC(C)(C)O[C@@]2(CCCOC2)C1 ZINC000373797041 557760989 /nfs/dbraw/zinc/76/09/89/557760989.db2.gz MJFHVMDWIIBDPV-UZLBHIALSA-N 1 0 363.502 2.378 20 30 FEEDRO C[C@H]1CN(CC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@@]2(CCCOC2)O1 ZINC000373811435 557764249 /nfs/dbraw/zinc/76/42/49/557764249.db2.gz MCZZYISQJAZFCU-SCLBCKFNSA-N 1 0 363.845 2.420 20 30 FEEDRO C[C@H]1COCCN1CCNC(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000520572293 562159302 /nfs/dbraw/zinc/15/93/02/562159302.db2.gz SYHXWPDVMWNWRW-NSHDSACASA-N 1 0 354.357 2.002 20 30 FEEDRO N#Cc1cccc(CS(=O)(=O)N2CCCc3cccc(CC[NH3+])c32)c1 ZINC000373845372 557771945 /nfs/dbraw/zinc/77/19/45/557771945.db2.gz NZFUHVQLJUZLRT-UHFFFAOYSA-N 1 0 355.463 2.342 20 30 FEEDRO C=CCN1C(=O)c2ccc(C(=O)NCC[N@H+]3[C@H](C)CCC[C@@H]3C)cc2C1=O ZINC000520761135 562162975 /nfs/dbraw/zinc/16/29/75/562162975.db2.gz WLEDJWRYCIXWOL-GASCZTMLSA-N 1 0 369.465 2.461 20 30 FEEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)NC[C@@H](C)[NH+]1CCCC1 ZINC000520844443 562165048 /nfs/dbraw/zinc/16/50/48/562165048.db2.gz XGASRJASRNDGDJ-HUUCEWRRSA-N 1 0 374.510 2.477 20 30 FEEDRO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@H]1C[C@H](O)c1cnn(C)c1 ZINC000374306497 557862691 /nfs/dbraw/zinc/86/26/91/557862691.db2.gz DWPVLIFMQUKDKD-CCKFTAQKSA-N 1 0 367.453 2.207 20 30 FEEDRO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCC[C@@H](CNC(=O)c2ccco2)C1 ZINC000374553099 557899057 /nfs/dbraw/zinc/89/90/57/557899057.db2.gz VULMZVFPRLVEKH-SJORKVTESA-N 1 0 359.470 2.311 20 30 FEEDRO C[C@H](NC(=O)N[C@@H]1CCCN(c2ccccc2C#N)C1)C1=CC[N@H+](C)CC1 ZINC000374752074 557925503 /nfs/dbraw/zinc/92/55/03/557925503.db2.gz QXMUQFAGBXFNRX-QFBILLFUSA-N 1 0 367.497 2.477 20 30 FEEDRO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCCNC(=O)[C@@H]1CC(C)C ZINC000521279082 562173420 /nfs/dbraw/zinc/17/34/20/562173420.db2.gz YQXYARROKKGEGD-MOPGFXCFSA-N 1 0 360.498 2.391 20 30 FEEDRO Cc1noc(C)c1CO[C@H]1CCN(CC(=O)NCc2cccc(C#N)c2)C1 ZINC000375170618 557986883 /nfs/dbraw/zinc/98/68/83/557986883.db2.gz HUGROVDLDCCMGH-SFHVURJKSA-N 1 0 368.437 2.070 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2CCCC3(CC[NH2+]CC3)C2)cc1Cl ZINC000375268860 558001918 /nfs/dbraw/zinc/00/19/18/558001918.db2.gz GJQWPLDLMDJGAB-UHFFFAOYSA-N 1 0 353.875 2.366 20 30 FEEDRO N#C[C@@H]1C[N@@H+](CC2CCC3(CC2)OCCO3)C[C@]12C(=O)Nc1ccccc12 ZINC000375434417 558026557 /nfs/dbraw/zinc/02/65/57/558026557.db2.gz DQONFRDZCMVUOH-IERDGZPVSA-N 1 0 367.449 2.265 20 30 FEEDRO C[C@@H](CC#N)N(C)S(=O)(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000375699257 558069366 /nfs/dbraw/zinc/06/93/66/558069366.db2.gz XHDABAAGTMOHIU-INIZCTEOSA-N 1 0 356.536 2.053 20 30 FEEDRO C=C[C@@H](CC(=O)N1CCN(CC[N@@H+]2CCCOCC2)CC1)c1ccccc1 ZINC000376102490 558127388 /nfs/dbraw/zinc/12/73/88/558127388.db2.gz LFLSRWFEHABGTL-FQEVSTJZSA-N 1 0 371.525 2.213 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N2C[C@H](C)O[C@@]3(CCO[C@H](C)C3)C2)CC1 ZINC000376112087 558128588 /nfs/dbraw/zinc/12/85/88/558128588.db2.gz JNPXXNUEKMWLNZ-JTDSTZFVSA-N 1 0 351.491 2.005 20 30 FEEDRO COCC[N@@H+]1CC[C@@H](NC(=O)c2cc(C3CC3)nc(SC)c2C#N)C1 ZINC000521679425 562181919 /nfs/dbraw/zinc/18/19/19/562181919.db2.gz VKRAHPOTIDPEPP-CYBMUJFWSA-N 1 0 360.483 2.003 20 30 FEEDRO C[NH+](C)[C@@H]1CCCN(C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CC1 ZINC000376461446 558176275 /nfs/dbraw/zinc/17/62/75/558176275.db2.gz YXPWEXVORYVXQL-OAHLLOKOSA-N 1 0 370.432 2.831 20 30 FEEDRO N#CC1(CNC(=O)NCCc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000521742897 562182913 /nfs/dbraw/zinc/18/29/13/562182913.db2.gz SZNCCXSUOXULAX-UHFFFAOYSA-N 1 0 356.470 2.307 20 30 FEEDRO N#Cc1ccccc1N1CCC(CNC(=O)N2CC[NH+]3CCC2CC3)CC1 ZINC000376646123 558202515 /nfs/dbraw/zinc/20/25/15/558202515.db2.gz NHPJKJPGRGQEJD-UHFFFAOYSA-N 1 0 367.497 2.264 20 30 FEEDRO CC1(C)CN(CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CCCO1 ZINC000377233242 558294762 /nfs/dbraw/zinc/29/47/62/558294762.db2.gz RSJXKVMSNYZNAI-UHFFFAOYSA-N 1 0 353.426 2.183 20 30 FEEDRO C[N@@H+]1CCN(CCNC(=O)c2cccc(CC#N)c2)[C@H](c2ccccc2)C1 ZINC000377430004 558339128 /nfs/dbraw/zinc/33/91/28/558339128.db2.gz BLQUVQFIKYPNAK-NRFANRHFSA-N 1 0 362.477 2.471 20 30 FEEDRO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCCC1 ZINC000377468722 558345918 /nfs/dbraw/zinc/34/59/18/558345918.db2.gz OVQMWQCCMBEPDN-OAHLLOKOSA-N 1 0 360.483 2.425 20 30 FEEDRO N#Cc1ccccc1N1CCC(CNC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000377895394 558443383 /nfs/dbraw/zinc/44/33/83/558443383.db2.gz IXRBDZLTFSTPCQ-LJQANCHMSA-N 1 0 367.497 2.264 20 30 FEEDRO C=CCCO[C@@H](C)C(=O)Nc1ccccc1C[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000522890146 562205615 /nfs/dbraw/zinc/20/56/15/562205615.db2.gz OKECFUJCTIVSFT-DOTOQJQBSA-N 1 0 359.470 2.304 20 30 FEEDRO C#CC[C@H](NC(=O)N1CCC[C@H]1C[N@H+]1CCC[C@H]1CO)c1ccccc1 ZINC000378277439 558517664 /nfs/dbraw/zinc/51/76/64/558517664.db2.gz MMEVLYMBGORCDK-UFYCRDLUSA-N 1 0 355.482 2.382 20 30 FEEDRO C=C(C)CN(CC)C(=O)[C@H](C)N1C[C@@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000378296934 558523080 /nfs/dbraw/zinc/52/30/80/558523080.db2.gz ZZRBBSDNRVGLCX-MRUHUIDDSA-N 1 0 366.465 2.145 20 30 FEEDRO C#CCOc1ccccc1C[NH+]1C[C@@H]2CN(Cc3noc(CC)n3)C[C@H]2C1 ZINC000378349351 558535176 /nfs/dbraw/zinc/53/51/76/558535176.db2.gz JOHWRTAUXMHTCF-QZTJIDSGSA-N 1 0 366.465 2.208 20 30 FEEDRO Cn1cc(N2CC[C@H]([NH2+]Cc3cn(C)nc3-c3ccc(C#N)cc3)C2)cn1 ZINC000378480318 558566963 /nfs/dbraw/zinc/56/69/63/558566963.db2.gz FKZVMFWSFLAHOK-SFHVURJKSA-N 1 0 361.453 2.061 20 30 FEEDRO C[C@H](C[NH2+]CCS(=O)(=O)c1cccc(C#N)c1)N(C)Cc1ccccc1 ZINC000390715384 558611572 /nfs/dbraw/zinc/61/15/72/558611572.db2.gz KKEFTCVSTIDNEA-QGZVFWFLSA-N 1 0 371.506 2.442 20 30 FEEDRO N#Cc1ccc(C(=O)N2CCO[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]32)nc1 ZINC000404208938 558631070 /nfs/dbraw/zinc/63/10/70/558631070.db2.gz VPDLAJRAQJWTBN-VQTJNVASSA-N 1 0 362.433 2.069 20 30 FEEDRO C[C@H](C(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)n1cnc(C#N)n1 ZINC000409452500 558693482 /nfs/dbraw/zinc/69/34/82/558693482.db2.gz INMDCGVRVRIZJM-CZUORRHYSA-N 1 0 372.860 2.317 20 30 FEEDRO CCN(CCC#N)S(=O)(=O)N(CC[NH+](CC)CC)Cc1cccs1 ZINC000409551637 558702672 /nfs/dbraw/zinc/70/26/72/558702672.db2.gz CUMNOUIBOMASDI-UHFFFAOYSA-N 1 0 372.560 2.372 20 30 FEEDRO CC[NH+](CC)CCN(Cc1cccs1)S(=O)(=O)N(C)C[C@H](C)C#N ZINC000409557518 558702876 /nfs/dbraw/zinc/70/28/76/558702876.db2.gz QZCHSNLXHJWUIG-OAHLLOKOSA-N 1 0 372.560 2.228 20 30 FEEDRO N#Cc1cc(S(=O)(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)ccc1C(F)(F)F ZINC000409578612 558704612 /nfs/dbraw/zinc/70/46/12/558704612.db2.gz YCHVIXBIIKSQSE-NSHDSACASA-N 1 0 373.400 2.340 20 30 FEEDRO C[C@H](C(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1)n1cnc(C#N)n1 ZINC000409638288 558709409 /nfs/dbraw/zinc/70/94/09/558709409.db2.gz MPTVAAPHIAZNAE-MRXNPFEDSA-N 1 0 366.469 2.259 20 30 FEEDRO C[NH+](C)CCN(Cc1ccccn1)C(=O)c1ccn(-c2cccc(C#N)c2)n1 ZINC000409843767 558722975 /nfs/dbraw/zinc/72/29/75/558722975.db2.gz QELJHQQKCUJYMQ-UHFFFAOYSA-N 1 0 374.448 2.343 20 30 FEEDRO Cc1cc(NC(=O)C(=O)NCc2cccc(C#N)c2)ccc1C[NH+](C)C ZINC000411140396 558844300 /nfs/dbraw/zinc/84/43/00/558844300.db2.gz ZYJCJDOFXISBPV-UHFFFAOYSA-N 1 0 350.422 2.183 20 30 FEEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)C[C@@H]1C ZINC000525395891 562247372 /nfs/dbraw/zinc/24/73/72/562247372.db2.gz IKZUKKDIYKAWBV-KBXCAEBGSA-N 1 0 366.469 2.271 20 30 FEEDRO C=CCOCC(=O)NCc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1 ZINC000525545414 562250156 /nfs/dbraw/zinc/25/01/56/562250156.db2.gz AMQUFVDMQAGXFX-UHFFFAOYSA-N 1 0 371.403 2.276 20 30 FEEDRO COCCC[N@H+](C)CCNC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000525603952 562250681 /nfs/dbraw/zinc/25/06/81/562250681.db2.gz OPTAKUPSMKQDMD-UHFFFAOYSA-N 1 0 368.437 2.444 20 30 FEEDRO CCO[C@@H]1COCC[C@H]1[NH2+]CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000411556405 558916575 /nfs/dbraw/zinc/91/65/75/558916575.db2.gz IMYFKARYMGQPJC-HZPDHXFCSA-N 1 0 351.834 2.324 20 30 FEEDRO C[N@@H+]1CCC[C@H](CCNC(=O)C(=O)Nc2cccc(OCCCC#N)c2)C1 ZINC000411670871 558940273 /nfs/dbraw/zinc/94/02/73/558940273.db2.gz KZANXCLMZHCFIX-MRXNPFEDSA-N 1 0 372.469 2.156 20 30 FEEDRO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CC[C@H](c3nnc(C)[nH]3)C2)c(OC)c1 ZINC000412028059 559003887 /nfs/dbraw/zinc/00/38/87/559003887.db2.gz MPGOSUWKLRUISX-DLBZAZTESA-N 1 0 372.469 2.079 20 30 FEEDRO COC1([C@H](C)[NH2+]CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CCC1 ZINC000412029514 559004204 /nfs/dbraw/zinc/00/42/04/559004204.db2.gz YITABPISPXAACU-AWEZNQCLSA-N 1 0 353.426 2.230 20 30 FEEDRO C[C@@H](NC(=O)C[C@H](CC#N)c1ccccc1)C(=O)NCC[NH+]1CCCCC1 ZINC000412325871 559027892 /nfs/dbraw/zinc/02/78/92/559027892.db2.gz YOXMAAGIOGMUNV-MJGOQNOKSA-N 1 0 370.497 2.181 20 30 FEEDRO C=CC[C@@H](Cc1ccccc1)NC(=O)N[C@H](C)CC[NH+]1CCN(C)CC1 ZINC000413836896 559133938 /nfs/dbraw/zinc/13/39/38/559133938.db2.gz PYPRYAGMRMZXSS-QUCCMNQESA-N 1 0 358.530 2.499 20 30 FEEDRO C=C(C)CN(C)C(=O)NCc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000413839526 559134211 /nfs/dbraw/zinc/13/42/11/559134211.db2.gz VRRBPXSHAJSVHB-UHFFFAOYSA-N 1 0 358.486 2.101 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)C(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000414712516 559181482 /nfs/dbraw/zinc/18/14/82/559181482.db2.gz JCIJCMOMQPYKEL-CQSZACIVSA-N 1 0 370.478 2.112 20 30 FEEDRO C[NH2+]Cc1ccc(NC(=O)C(=O)N(Cc2ccc(C#N)cc2)C2CC2)cc1 ZINC000415178392 559212226 /nfs/dbraw/zinc/21/22/26/559212226.db2.gz IJNCFJHOKXNOGJ-UHFFFAOYSA-N 1 0 362.433 2.407 20 30 FEEDRO C[C@H](NC(=O)C(=O)Nc1sc(C(C)(C)C)cc1C#N)[C@@H]1CCC[NH2+]C1 ZINC000415360455 559227386 /nfs/dbraw/zinc/22/73/86/559227386.db2.gz ZHUPTILYEYIITP-NWDGAFQWSA-N 1 0 362.499 2.360 20 30 FEEDRO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000415428045 559235372 /nfs/dbraw/zinc/23/53/72/559235372.db2.gz NZVSUZFCHTXEID-UONOGXRCSA-N 1 0 362.499 2.366 20 30 FEEDRO N#Cc1ccc(-n2ccc(NC(=O)N3CC[C@H]4CC[C@@H](C3)[NH2+]4)n2)c(Cl)c1 ZINC000415434185 559236245 /nfs/dbraw/zinc/23/62/45/559236245.db2.gz ADBYHCKIXMJDJZ-KGLIPLIRSA-N 1 0 370.844 2.756 20 30 FEEDRO Cc1onc(CC(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)c1C#N ZINC000527194628 562279663 /nfs/dbraw/zinc/27/96/63/562279663.db2.gz RZOXQQFMTHBHIS-UHFFFAOYSA-N 1 0 370.375 2.319 20 30 FEEDRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 ZINC000415445454 559237838 /nfs/dbraw/zinc/23/78/38/559237838.db2.gz GUCKKXLZZJXHAM-NEPJUHHUSA-N 1 0 358.833 2.598 20 30 FEEDRO CC(C)(C)[C@@H](C[NH3+])NC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 ZINC000415447507 559238208 /nfs/dbraw/zinc/23/82/08/559238208.db2.gz HOVNAIRUSUEHPV-CQSZACIVSA-N 1 0 360.849 2.892 20 30 FEEDRO CC[NH2+]CC1CCN(C(=O)C(=O)Nc2ccc(OC(C)C)c(C#N)c2)CC1 ZINC000415479839 559241831 /nfs/dbraw/zinc/24/18/31/559241831.db2.gz SEPLUYLIQSCZDM-UHFFFAOYSA-N 1 0 372.469 2.132 20 30 FEEDRO CC(C)[C@H]1CCc2c(C#N)c(NC(=O)C(=O)NCCCC[NH3+])sc2C1 ZINC000415555488 559249177 /nfs/dbraw/zinc/24/91/77/559249177.db2.gz BQFHNUDCENIJCZ-LBPRGKRZSA-N 1 0 362.499 2.174 20 30 FEEDRO N#CCCCN1C(=O)CCc2cc(NC(=O)N[C@@H]3CCC[NH2+]C3)ccc21 ZINC000415560833 559249800 /nfs/dbraw/zinc/24/98/00/559249800.db2.gz MSENSGTZNGNHLS-MRXNPFEDSA-N 1 0 355.442 2.143 20 30 FEEDRO C[C@]1(CNC(=O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CCC[NH2+]C1 ZINC000415562957 559250021 /nfs/dbraw/zinc/25/00/21/559250021.db2.gz ANHKDDKXICKBDR-INIZCTEOSA-N 1 0 368.359 2.021 20 30 FEEDRO N#Cc1cccc(-c2csc(NC(=O)C(=O)N[C@H]3CCC[C@H]([NH3+])C3)n2)c1 ZINC000415636196 559257188 /nfs/dbraw/zinc/25/71/88/559257188.db2.gz FBEXQARNJHKINV-KBPBESRZSA-N 1 0 369.450 2.006 20 30 FEEDRO C[N@@H+]1CCC[C@H](CNC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)C1 ZINC000527224837 562281080 /nfs/dbraw/zinc/28/10/80/562281080.db2.gz JCWRWDURJOYYMU-QGZVFWFLSA-N 1 0 356.470 2.453 20 30 FEEDRO CO[C@H]1CCN(C(=O)Nc2ccc(C#N)c(Br)c2)[C@@H](C[NH3+])C1 ZINC000415687016 559261778 /nfs/dbraw/zinc/26/17/78/559261778.db2.gz FCOKELPRAPZOOX-OLZOCXBDSA-N 1 0 367.247 2.291 20 30 FEEDRO COC[C@@]1(CNC(=O)Nc2ccc(C#N)c(Br)c2)CCC[NH2+]1 ZINC000415695007 559262718 /nfs/dbraw/zinc/26/27/18/559262718.db2.gz PVLDZQKINANHSO-HNNXBMFYSA-N 1 0 367.247 2.211 20 30 FEEDRO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NC[C@@]1(COC)CCC[NH2+]1 ZINC000415705783 559263995 /nfs/dbraw/zinc/26/39/95/559263995.db2.gz JSJCZFNWLJQBGR-OAQYLSRUSA-N 1 0 373.497 2.362 20 30 FEEDRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000415741901 559266571 /nfs/dbraw/zinc/26/65/71/559266571.db2.gz KKTVDRPTNZBOEI-GUYCJALGSA-N 1 0 364.405 2.237 20 30 FEEDRO C=CCOc1cccc(NC(=O)C(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000415820277 559274740 /nfs/dbraw/zinc/27/47/40/559274740.db2.gz KYNXPAPUOHJVQC-HZPDHXFCSA-N 1 0 357.454 2.038 20 30 FEEDRO C[C@H]1CCN(C(=O)C(=O)Nc2ccccc2SCCC#N)C[C@@H]1C[NH3+] ZINC000415848001 559278047 /nfs/dbraw/zinc/27/80/47/559278047.db2.gz LJTXYOQAHXOZSJ-KBPBESRZSA-N 1 0 360.483 2.074 20 30 FEEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000415874191 559280597 /nfs/dbraw/zinc/28/05/97/559280597.db2.gz WFMZFXDPYRCSFX-ZIAGYGMSSA-N 1 0 360.483 2.135 20 30 FEEDRO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)CCCCOc1cccc(C#N)c1 ZINC000416287862 559302391 /nfs/dbraw/zinc/30/23/91/559302391.db2.gz CJKJGUORVAZELG-IRXDYDNUSA-N 1 0 359.470 2.021 20 30 FEEDRO CCCN(C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1)[C@@H]1CC[NH2+]C1 ZINC000417569031 559367077 /nfs/dbraw/zinc/36/70/77/559367077.db2.gz BYTPGIIZFRSUKW-IAGOWNOFSA-N 1 0 373.476 2.450 20 30 FEEDRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000417581077 559367807 /nfs/dbraw/zinc/36/78/07/559367807.db2.gz SBWKQZJTMDUXST-QRTARXTBSA-N 1 0 359.449 2.106 20 30 FEEDRO CCCC[C@H](C[NH3+])NC(=O)NC1CCC(Oc2ncccc2C#N)CC1 ZINC000418052586 559388344 /nfs/dbraw/zinc/38/83/44/559388344.db2.gz WVRBHDFWKOXUFH-AQFXKWCLSA-N 1 0 359.474 2.460 20 30 FEEDRO N#C[C@@H]1CN(C(=O)N[C@H](C[NH3+])C2CCCCC2)CCN1Cc1ccccc1 ZINC000418358643 559398917 /nfs/dbraw/zinc/39/89/17/559398917.db2.gz DQXLMTYZPMSGQK-WOJBJXKFSA-N 1 0 369.513 2.314 20 30 FEEDRO N#Cc1cccc([C@@H]2CN(C(=O)NC[C@H]([NH3+])c3ccccc3)CCO2)c1 ZINC000418426503 559401007 /nfs/dbraw/zinc/40/10/07/559401007.db2.gz JZOPYGUJFAEDIU-OALUTQOASA-N 1 0 350.422 2.341 20 30 FEEDRO C[C@H]1C[C@@H](NC(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)CC[NH2+]1 ZINC000418596886 559407335 /nfs/dbraw/zinc/40/73/35/559407335.db2.gz HHUVMZVMLMGAEV-ZFWWWQNUSA-N 1 0 360.433 2.391 20 30 FEEDRO C[C@@H]1C[C@@H](NC(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)CC[NH2+]1 ZINC000418596882 559407391 /nfs/dbraw/zinc/40/73/91/559407391.db2.gz HHUVMZVMLMGAEV-HIFRSBDPSA-N 1 0 360.433 2.391 20 30 FEEDRO C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1 ZINC000419241343 559433764 /nfs/dbraw/zinc/43/37/64/559433764.db2.gz BXIOLFAAILMMFB-GXTWGEPZSA-N 1 0 360.408 2.423 20 30 FEEDRO C=CCC[C@H](NC(=O)C(=O)N1CC[C@H]([NH3+])C1)c1ccc(C(F)(F)F)cc1 ZINC000419482257 559444649 /nfs/dbraw/zinc/44/46/49/559444649.db2.gz YAHSEIRIHSIINL-GJZGRUSLSA-N 1 0 369.387 2.389 20 30 FEEDRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000419622007 559450369 /nfs/dbraw/zinc/45/03/69/559450369.db2.gz SHLQKVKJMMVUMN-SPYBWZPUSA-N 1 0 356.470 2.032 20 30 FEEDRO C=C(C)[C@@H](NC(=O)C(=O)N(CCC)[C@@H]1CC[NH2+]C1)c1ccc(F)c(F)c1 ZINC000419668957 559452903 /nfs/dbraw/zinc/45/29/03/559452903.db2.gz BCPFYUBTHWMBEI-RHSMWYFYSA-N 1 0 365.424 2.299 20 30 FEEDRO C=CCC[C@H]1NC(=O)N(C[C@@H](C)[NH+]2CCN(c3ccccc3)CC2)C1=O ZINC000419919518 559464444 /nfs/dbraw/zinc/46/44/44/559464444.db2.gz AYHPLPALWWSLRV-SJLPKXTDSA-N 1 0 356.470 2.084 20 30 FEEDRO C=CCC[C@@H]1NC(=O)N([C@@H](C)C[NH+]2CCN(c3ccccc3)CC2)C1=O ZINC000419974241 559467186 /nfs/dbraw/zinc/46/71/86/559467186.db2.gz JGRJTAAYPRPTEE-WMZOPIPTSA-N 1 0 356.470 2.084 20 30 FEEDRO N#Cc1cc(S(=O)(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)ccc1C(F)(F)F ZINC000420477208 559489645 /nfs/dbraw/zinc/48/96/45/559489645.db2.gz ZNNIBMNFGNZLRA-ZYHUDNBSSA-N 1 0 361.389 2.373 20 30 FEEDRO C[C@H]1CCN(S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)C[C@H]1C[NH3+] ZINC000420482689 559489854 /nfs/dbraw/zinc/48/98/54/559489854.db2.gz URLLMUXYLZUDFC-CMPLNLGQSA-N 1 0 361.389 2.182 20 30 FEEDRO CC(=O)Nc1ccc(C[NH+]2CCC(Nc3cncc(C#N)n3)CC2)cc1 ZINC000420639425 559494740 /nfs/dbraw/zinc/49/47/40/559494740.db2.gz QAVZIVNHUQFSNO-UHFFFAOYSA-N 1 0 350.426 2.383 20 30 FEEDRO CC(C)(CC#N)CNC(=O)C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000420730130 559500922 /nfs/dbraw/zinc/50/09/22/559500922.db2.gz REATVJUBPAKDPU-UHFFFAOYSA-N 1 0 362.518 2.347 20 30 FEEDRO CCOC(=O)c1c(NC(=O)NC[C@@H]2CC[N@H+](CC)C2)c(C#N)cn1CC ZINC000421162926 559528001 /nfs/dbraw/zinc/52/80/01/559528001.db2.gz GZYDGFPYNKBWAU-ZDUSSCGKSA-N 1 0 361.446 2.020 20 30 FEEDRO C[NH+](C)C1CCC(NC(=O)C(=O)Nc2ccc(CC#N)cc2Cl)CC1 ZINC000421288751 559536047 /nfs/dbraw/zinc/53/60/47/559536047.db2.gz NORXZYXGAIRLPO-UHFFFAOYSA-N 1 0 362.861 2.334 20 30 FEEDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)Nc1sc(C(C)(C)C)cc1C#N ZINC000421308758 559538189 /nfs/dbraw/zinc/53/81/89/559538189.db2.gz YTDKSUMMJXIPLE-ZDUSSCGKSA-N 1 0 362.499 2.408 20 30 FEEDRO C[C@@H](CN1CCN(c2ccccn2)CC1)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000421367749 559540318 /nfs/dbraw/zinc/54/03/18/559540318.db2.gz UEJLOTQPSQFPJR-INIZCTEOSA-N 1 0 353.445 2.393 20 30 FEEDRO C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000421508534 559543964 /nfs/dbraw/zinc/54/39/64/559543964.db2.gz FIOCWNZBMZSYDQ-PKOBYXMFSA-N 1 0 357.498 2.138 20 30 FEEDRO C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000422292058 559576157 /nfs/dbraw/zinc/57/61/57/559576157.db2.gz FZYRSTKOCDHQOI-GOSISDBHSA-N 1 0 357.498 2.281 20 30 FEEDRO C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000422350090 559580596 /nfs/dbraw/zinc/58/05/96/559580596.db2.gz AEKDXYAYJOGONH-WMZOPIPTSA-N 1 0 359.514 2.383 20 30 FEEDRO C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000422520516 559592604 /nfs/dbraw/zinc/59/26/04/559592604.db2.gz CFUDUZUABCQCOR-UXHICEINSA-N 1 0 369.509 2.377 20 30 FEEDRO C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC000422533840 559593439 /nfs/dbraw/zinc/59/34/39/559593439.db2.gz YDICEMPNFIGICM-YLJYHZDGSA-N 1 0 371.525 2.479 20 30 FEEDRO CC(C)N(Cc1ccc(C#N)cc1)C(=O)C(=O)NC1CCC([NH+](C)C)CC1 ZINC000422627119 559598534 /nfs/dbraw/zinc/59/85/34/559598534.db2.gz MWARQZBRBIHSPL-UHFFFAOYSA-N 1 0 370.497 2.284 20 30 FEEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000423023171 559615425 /nfs/dbraw/zinc/61/54/25/559615425.db2.gz JGGYZJMLWANPFJ-OCCSQVGLSA-N 1 0 367.902 2.127 20 30 FEEDRO C=C(C)CN(Cc1ccccc1)C(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000423371970 559627068 /nfs/dbraw/zinc/62/70/68/559627068.db2.gz QRDKQDMGRVENAM-GBESFXJTSA-N 1 0 355.482 2.177 20 30 FEEDRO C=CCOc1cc(OC)ccc1C(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000423709694 559636734 /nfs/dbraw/zinc/63/67/34/559636734.db2.gz WSCFKLZGWHKQFR-MJGOQNOKSA-N 1 0 360.454 2.228 20 30 FEEDRO COc1ccc(I)c(NC(=O)[C@H]([NH3+])CCCC#N)c1 ZINC000424111212 559655140 /nfs/dbraw/zinc/65/51/40/559655140.db2.gz GQTTWWYLXIXTSB-LLVKDONJSA-N 1 0 373.194 2.259 20 30 FEEDRO COc1cc(CN(C)C(=O)[C@@H]([NH3+])CCCC#N)c(SC)cc1OC ZINC000424115392 559655376 /nfs/dbraw/zinc/65/53/76/559655376.db2.gz AJYAOOWGBZGJQC-ZDUSSCGKSA-N 1 0 351.472 2.405 20 30 FEEDRO Cc1c(NC(=O)[C@@H]([NH3+])CCCC#N)cccc1S(=O)(=O)NC(C)(C)C ZINC000424127017 559655476 /nfs/dbraw/zinc/65/54/76/559655476.db2.gz POJLASPMTCLYMM-ZDUSSCGKSA-N 1 0 366.487 2.032 20 30 FEEDRO COc1ncc(C(=O)N(CCC#N)CCC[NH+](C)C)cc1Br ZINC000424626723 559671578 /nfs/dbraw/zinc/67/15/78/559671578.db2.gz VCHOWDDSZKBSMY-UHFFFAOYSA-N 1 0 369.263 2.160 20 30 FEEDRO C=CCC1(C(=O)NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CCOCC1 ZINC000424697105 559673863 /nfs/dbraw/zinc/67/38/63/559673863.db2.gz NZAZUAOUEQFDBE-NRFANRHFSA-N 1 0 358.482 2.113 20 30 FEEDRO C=CCCn1cc(C(=O)Nc2ccc(OCC[NH+](C)C)cc2OC)nn1 ZINC000424889452 559679478 /nfs/dbraw/zinc/67/94/78/559679478.db2.gz XINHQGQUDRMYEO-UHFFFAOYSA-N 1 0 359.430 2.056 20 30 FEEDRO C[NH+](C)CCOc1ccc(CCNc2ncc3c(c2C#N)CCC3)cc1 ZINC000425229683 559692432 /nfs/dbraw/zinc/69/24/32/559692432.db2.gz RWQOPAFCSSUJMC-UHFFFAOYSA-N 1 0 350.466 3.037 20 30 FEEDRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(c2ncc3c(c2C#N)CCC3)CC1 ZINC000425230094 559692530 /nfs/dbraw/zinc/69/25/30/559692530.db2.gz URHPLLWMIJCEIT-IRXDYDNUSA-N 1 0 353.514 2.437 20 30 FEEDRO COC(=O)[C@H](CC[NH+]1CCN(c2ccc(C#N)cn2)CC1)c1ccccc1 ZINC000425401099 559700205 /nfs/dbraw/zinc/70/02/05/559700205.db2.gz DKIRKORIGZRRSX-LJQANCHMSA-N 1 0 364.449 2.422 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000425411022 559700901 /nfs/dbraw/zinc/70/09/01/559700901.db2.gz CZGWTNZYCJTIEI-ICSRJNTNSA-N 1 0 372.513 2.089 20 30 FEEDRO CC(C)[N@H+](C)CC1CCN(C(=O)C(=O)Nc2ccc(C#N)cc2F)CC1 ZINC000527327496 562285547 /nfs/dbraw/zinc/28/55/47/562285547.db2.gz AJEDTFCAKZRMKR-UHFFFAOYSA-N 1 0 360.433 2.215 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCC[C@@H](n2ccnn2)C1)C(C)C ZINC000425659880 559713567 /nfs/dbraw/zinc/71/35/67/559713567.db2.gz WQPSJCICSQWQJB-MSOLQXFVSA-N 1 0 360.506 2.323 20 30 FEEDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)N(C)[C@@H](C)c1cccc(C#N)c1 ZINC000425874533 559723648 /nfs/dbraw/zinc/72/36/48/559723648.db2.gz RMLOTUPANMVMNN-HOTGVXAUSA-N 1 0 356.470 2.068 20 30 FEEDRO C[C@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000425908510 559724923 /nfs/dbraw/zinc/72/49/23/559724923.db2.gz IFZLTQPFHYAGNY-DNVCBOLYSA-N 1 0 368.481 2.211 20 30 FEEDRO CN(C(=O)CNC(=O)c1ccc(C#N)cc1)C(C)(C)C[NH+]1CCCCCC1 ZINC000428428596 559775360 /nfs/dbraw/zinc/77/53/60/559775360.db2.gz XTARDUSESSMFAO-UHFFFAOYSA-N 1 0 370.497 2.401 20 30 FEEDRO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CC[C@](C(=O)OC)(c2ccccc2)C1 ZINC000428771193 559782881 /nfs/dbraw/zinc/78/28/81/559782881.db2.gz HMESZXYBEGVBMY-DYESRHJHSA-N 1 0 356.466 2.392 20 30 FEEDRO C[C@H]1CC[N@H+](C)CCN1C(=O)NC1CCC(Oc2ncccc2C#N)CC1 ZINC000527352272 562286318 /nfs/dbraw/zinc/28/63/18/562286318.db2.gz FNJFGEZNURWKHG-ZLPCBKJTSA-N 1 0 371.485 2.379 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)[C@H]1CCCN(c2ccccc2)C1=O ZINC000432779413 559864604 /nfs/dbraw/zinc/86/46/04/559864604.db2.gz JXKRCDQDAGGBDA-GOSISDBHSA-N 1 0 356.470 2.124 20 30 FEEDRO C[N@H+](CC(=O)NC1CCC(Oc2ncccc2C#N)CC1)[C@H]1CCSC1 ZINC000527364142 562286551 /nfs/dbraw/zinc/28/65/51/562286551.db2.gz YDNMGJGHWFZGQR-CGZBRXJRSA-N 1 0 374.510 2.197 20 30 FEEDRO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)C2(c3cccc(C#N)c3)CC2)CC1 ZINC000435018275 559914439 /nfs/dbraw/zinc/91/44/39/559914439.db2.gz BXNSTWYYIOJWOT-FQEVSTJZSA-N 1 0 366.509 2.218 20 30 FEEDRO CN(C)CC[N@H+](C)CCCNC(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000436507939 559943764 /nfs/dbraw/zinc/94/37/64/559943764.db2.gz XXVKSNHDQQINCV-UHFFFAOYSA-N 1 0 369.416 2.165 20 30 FEEDRO N#Cc1ccc(CN2CC[NH+](C3CCOCC3)CC2)c(OC(F)F)c1 ZINC000437832192 559970409 /nfs/dbraw/zinc/97/04/09/559970409.db2.gz FHCIDVNHLHSPMI-UHFFFAOYSA-N 1 0 351.397 2.456 20 30 FEEDRO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000437993344 559972557 /nfs/dbraw/zinc/97/25/57/559972557.db2.gz DKNKMRLWBPTSJZ-IEBWSBKVSA-N 1 0 365.518 2.254 20 30 FEEDRO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1C[C@@H]2CCC[C@@]2(C(=O)OC(C)(C)C)C1 ZINC000439476403 559995076 /nfs/dbraw/zinc/99/50/76/559995076.db2.gz FWZGQFASIJFERB-RYGJVYDSSA-N 1 0 363.502 2.485 20 30 FEEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N(C)CCC[NH+]1CCCC1 ZINC000440283010 560008074 /nfs/dbraw/zinc/00/80/74/560008074.db2.gz NGCUETWHSJMRAE-UHFFFAOYSA-N 1 0 372.469 2.228 20 30 FEEDRO COc1cc(C[NH2+]CCCN2c3ccccc3OCC2=O)ccc1C#N ZINC000440816573 560018780 /nfs/dbraw/zinc/01/87/80/560018780.db2.gz YSQBSMDFIFVRKD-UHFFFAOYSA-N 1 0 351.406 2.472 20 30 FEEDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000442107045 560044098 /nfs/dbraw/zinc/04/40/98/560044098.db2.gz DEUMHPLINFQBRF-HZSPNIEDSA-N 1 0 353.463 2.342 20 30 FEEDRO C[C@@H]1C[C@H](NS(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)CC[N@@H+]1C ZINC000443239200 560075918 /nfs/dbraw/zinc/07/59/18/560075918.db2.gz HKLYADHHOZZTHT-ZWNOBZJWSA-N 1 0 361.389 2.338 20 30 FEEDRO C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC000443866382 560094837 /nfs/dbraw/zinc/09/48/37/560094837.db2.gz FLUZWHYVXYXCDO-VQIMIIECSA-N 1 0 357.454 2.039 20 30 FEEDRO Cc1cc(S(=O)(=O)NCc2ccc(OCC[NH+](C)C)cc2)ccc1C#N ZINC000443942617 560096815 /nfs/dbraw/zinc/09/68/15/560096815.db2.gz DDFKYXWRJVZALX-UHFFFAOYSA-N 1 0 373.478 2.286 20 30 FEEDRO C[NH+](C)C1(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)CCC1 ZINC000445739630 560134505 /nfs/dbraw/zinc/13/45/05/560134505.db2.gz DRHKNXXJVDYZIM-UHFFFAOYSA-N 1 0 361.389 2.340 20 30 FEEDRO C[C@H]1CN(c2ccnc(C(=O)N(CCC#N)CCC[NH+](C)C)c2)C[C@H](C)O1 ZINC000446021263 560138143 /nfs/dbraw/zinc/13/81/43/560138143.db2.gz RJSADPQZQWRSRP-IRXDYDNUSA-N 1 0 373.501 2.003 20 30 FEEDRO CC[C@@H]([NH2+]CCN1CCN(c2ncccn2)CC1)c1ccc(C#N)cc1 ZINC000447539057 560164142 /nfs/dbraw/zinc/16/41/42/560164142.db2.gz FJAGPXRZVFUCIK-LJQANCHMSA-N 1 0 350.470 2.211 20 30 FEEDRO C=CCCC[NH2+]C1CCN(S(=O)(=O)c2ccc(NC(C)=O)cc2)CC1 ZINC000448031839 560176418 /nfs/dbraw/zinc/17/64/18/560176418.db2.gz VKYALFSFHFEXTD-UHFFFAOYSA-N 1 0 365.499 2.354 20 30 FEEDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)Nc1cc(C#N)ccc1Cl ZINC000448326020 560184820 /nfs/dbraw/zinc/18/48/20/560184820.db2.gz VRFQKXXPIDFWDJ-OAHLLOKOSA-N 1 0 362.861 2.387 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)Nc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000448962851 560209056 /nfs/dbraw/zinc/20/90/56/560209056.db2.gz SRQIXPKRTYEAJJ-MSOLQXFVSA-N 1 0 357.454 2.042 20 30 FEEDRO C[NH+](C)CCCCNC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 ZINC000448976950 560210040 /nfs/dbraw/zinc/21/00/40/560210040.db2.gz WLIQNWQFNPUDTI-CQSZACIVSA-N 1 0 362.861 2.023 20 30 FEEDRO CC#CCC[NH2+]Cc1cc(Br)ccc1O[C@H](C)C(=O)NC ZINC000449226670 560220800 /nfs/dbraw/zinc/22/08/00/560220800.db2.gz NGHPTEKGPQCSAM-GFCCVEGCSA-N 1 0 353.260 2.465 20 30 FEEDRO C=CC(C)(C)C[NH2+]Cc1ccc(OCC(=O)N2CCOCC2)c(OC)c1 ZINC000449486172 560231528 /nfs/dbraw/zinc/23/15/28/560231528.db2.gz QTUMHXYRYPYVRV-UHFFFAOYSA-N 1 0 362.470 2.235 20 30 FEEDRO COC[C@@]1(CO)CC[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000449704569 560237537 /nfs/dbraw/zinc/23/75/37/560237537.db2.gz VZNASLGKBJMTSG-FQEVSTJZSA-N 1 0 354.454 2.295 20 30 FEEDRO C[NH+](C)C[C@H](O)COc1ccc(NC(=O)[C@]2(C#N)CC23CCCC3)cc1 ZINC000450134226 560251692 /nfs/dbraw/zinc/25/16/92/560251692.db2.gz OIYCKUNUHYKPAZ-OXJNMPFZSA-N 1 0 357.454 2.400 20 30 FEEDRO Cc1c(C#N)c(NC2CC[NH+](CCC(=O)N(C)C)CC2)nc2ccccc12 ZINC000450325895 560258749 /nfs/dbraw/zinc/25/87/49/560258749.db2.gz FWVUEXDSRAAPBU-UHFFFAOYSA-N 1 0 365.481 2.770 20 30 FEEDRO CN(C(=O)C[N@@H+]1CCC[C@@H](CC(C)(C)C(N)=O)C1)C1(C#N)CCCCC1 ZINC000451214247 560293376 /nfs/dbraw/zinc/29/33/76/560293376.db2.gz VSYKRQYYOWUZQU-INIZCTEOSA-N 1 0 362.518 2.285 20 30 FEEDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NS(=O)(=O)c1ccc(CC#N)cc1Cl ZINC000451322422 560300153 /nfs/dbraw/zinc/30/01/53/560300153.db2.gz UDKKYNCMQRNGNM-NHYWBVRUSA-N 1 0 353.875 2.167 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]CC(=O)NCc1c(C)nn(Cc2ccccc2)c1C ZINC000451597937 560316770 /nfs/dbraw/zinc/31/67/70/560316770.db2.gz JCTCKQXZPCDLFM-UXHICEINSA-N 1 0 368.481 2.098 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]CC(=O)N1CCC[C@H]1c1ccc(OC)c(OC)c1 ZINC000451605834 560317045 /nfs/dbraw/zinc/31/70/45/560317045.db2.gz KOJAKXOPMOOQAF-IKGGRYGDSA-N 1 0 360.454 2.300 20 30 FEEDRO C[C@@H]1CN(CC#Cc2ccc(OC(F)(F)F)cc2)C[C@H](C)[N@H+]1CCO ZINC000451657036 560320063 /nfs/dbraw/zinc/32/00/63/560320063.db2.gz XFASNBAGUOJTRI-GASCZTMLSA-N 1 0 356.388 2.324 20 30 FEEDRO COc1ccc(N2CC[NH+](CCC(=O)Nc3cccc(C#N)c3)CC2)nc1 ZINC000452059298 560348727 /nfs/dbraw/zinc/34/87/27/560348727.db2.gz ODAQSKKWTREWOA-UHFFFAOYSA-N 1 0 365.437 2.113 20 30 FEEDRO CC1CC[NH+](CCNC(=O)C(=O)Nc2ccc(CC#N)cc2Cl)CC1 ZINC000453587727 560389844 /nfs/dbraw/zinc/38/98/44/560389844.db2.gz CAUBVACHRQLMOE-UHFFFAOYSA-N 1 0 362.861 2.193 20 30 FEEDRO C[NH+](C)C[C@H]1CCN(C(=O)C(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)C1 ZINC000453647416 560393253 /nfs/dbraw/zinc/39/32/53/560393253.db2.gz NEOBLDXRWRSTAZ-CQSZACIVSA-N 1 0 372.469 2.084 20 30 FEEDRO C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(CC#N)cc2Cl)C[N@@H+]1C1CC1 ZINC000453681425 560396270 /nfs/dbraw/zinc/39/62/70/560396270.db2.gz UYCIBLPBBKJVJV-DGCLKSJQSA-N 1 0 360.845 2.086 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000453726122 560399784 /nfs/dbraw/zinc/39/97/84/560399784.db2.gz DGSHITHWLQKMDA-SNRMKQJTSA-N 1 0 371.481 2.271 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1NC(=O)C(=O)Nc1cccc2c1C[N@H+]([C@H](C)C(C)C)C2 ZINC000453930448 560414205 /nfs/dbraw/zinc/41/42/05/560414205.db2.gz JSYMBJDYQHFJJP-ZMYBRWDISA-N 1 0 371.481 2.445 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N[C@H](C)C(=O)N2c3ccccc3C[C@@H]2C)CC1 ZINC000454535966 560448612 /nfs/dbraw/zinc/44/86/12/560448612.db2.gz FZQONSYYJBJXIE-JKSUJKDBSA-N 1 0 370.497 2.302 20 30 FEEDRO CC(C)Oc1ccc(NC(=O)NC[C@@H]2CCCC[N@@H+]2CCO)cc1C#N ZINC000455005078 560467056 /nfs/dbraw/zinc/46/70/56/560467056.db2.gz VULYPCBWQNPJQH-KRWDZBQOSA-N 1 0 360.458 2.314 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000455424412 560481798 /nfs/dbraw/zinc/48/17/98/560481798.db2.gz OUCQFRVMVSLLDI-MOPGFXCFSA-N 1 0 365.518 2.254 20 30 FEEDRO C[C@H](CNC(=O)C(C)(C)Cc1ccc(C#N)cc1)C[NH+]1CCN(C)CC1 ZINC000455656892 560490781 /nfs/dbraw/zinc/49/07/81/560490781.db2.gz CDQHFJXSAZXQHD-QGZVFWFLSA-N 1 0 356.514 2.127 20 30 FEEDRO C=C(C)CCNC(=O)N1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000458992965 560660731 /nfs/dbraw/zinc/66/07/31/560660731.db2.gz DQTZXXAEGISYRO-UHFFFAOYSA-N 1 0 352.523 2.078 20 30 FEEDRO C=CCN(CC=C)C(=O)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000459818677 560710627 /nfs/dbraw/zinc/71/06/27/560710627.db2.gz RBMTVKREQAICFM-PMACEKPBSA-N 1 0 367.493 2.168 20 30 FEEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000459863864 560714523 /nfs/dbraw/zinc/71/45/23/560714523.db2.gz PEZUMCUQRWGOJX-ZDUSSCGKSA-N 1 0 369.918 2.469 20 30 FEEDRO COC(=O)[C@@H](C)[C@H]([NH2+]CC(=O)NCc1ccc(C#N)cc1)c1ccccc1 ZINC000464887533 560854573 /nfs/dbraw/zinc/85/45/73/560854573.db2.gz NPVIXQFMSKHFFG-YWZLYKJASA-N 1 0 365.433 2.314 20 30 FEEDRO C=C[C@@H](C)NC(=O)C(=O)Nc1cccc(NC(=O)C[NH+]2CCCCCC2)c1 ZINC000465352004 560863725 /nfs/dbraw/zinc/86/37/25/560863725.db2.gz YVUOSVPCGLIIFA-OAHLLOKOSA-N 1 0 372.469 2.130 20 30 FEEDRO C[C@H](C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)n1cnc(C#N)n1 ZINC000466985411 560900901 /nfs/dbraw/zinc/90/09/01/560900901.db2.gz KXLWYLBBROJEOR-CYBMUJFWSA-N 1 0 372.860 2.145 20 30 FEEDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C ZINC000468472061 560930749 /nfs/dbraw/zinc/93/07/49/560930749.db2.gz ZQAABUUNAGMECK-KUHUBIRLSA-N 1 0 351.491 2.485 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@@H](CCC)CCCS(C)(=O)=O)CC1 ZINC000468753715 560937852 /nfs/dbraw/zinc/93/78/52/560937852.db2.gz AAYJAIYKPQBLDK-INIZCTEOSA-N 1 0 358.548 2.384 20 30 FEEDRO CC[NH+]1CCN(CCC(=O)N[C@H](C#N)c2cccc(C(F)(F)F)c2)CC1 ZINC000468765971 560938096 /nfs/dbraw/zinc/93/80/96/560938096.db2.gz AYNLDFGJURUWCS-MRXNPFEDSA-N 1 0 368.403 2.414 20 30 FEEDRO COc1cc([C@@H](C)[NH2+][C@@H](C)C(=O)NC2(C#N)CCC2)cc(OC)c1OC ZINC000469303625 560952123 /nfs/dbraw/zinc/95/21/23/560952123.db2.gz HISIQUQFMRULBT-OLZOCXBDSA-N 1 0 361.442 2.314 20 30 FEEDRO CCN(C[C@@H]1CC[N@H+](CC(=O)N(CC)C[C@H](C)C#N)C1)CC(F)(F)F ZINC000470367728 560979743 /nfs/dbraw/zinc/97/97/43/560979743.db2.gz SGQSDCYZBVCPDX-CABCVRRESA-N 1 0 362.440 2.201 20 30 FEEDRO C=CCOCCC[NH+]1CCN([C@@H](C(N)=O)c2ccc(Cl)cc2)CC1 ZINC000470769935 560989337 /nfs/dbraw/zinc/98/93/37/560989337.db2.gz VLKBQCPTQVYNCN-QGZVFWFLSA-N 1 0 351.878 2.077 20 30 FEEDRO Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N[C@H]3CC[N@@H+]4CCC[C@H]4C3)C2)n1 ZINC000471814751 561012345 /nfs/dbraw/zinc/01/23/45/561012345.db2.gz FIXRBWRCYGABCB-FHWLQOOXSA-N 1 0 367.497 2.221 20 30 FEEDRO C[NH+](C)CCN(C(=O)CNC(=O)c1ccc(C#N)cc1)C1CCCCC1 ZINC000474069682 561064837 /nfs/dbraw/zinc/06/48/37/561064837.db2.gz WACWHIWNQWKBKN-UHFFFAOYSA-N 1 0 356.470 2.011 20 30 FEEDRO C=C[C@](C)(CCOC)C(=O)N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000474235418 561069058 /nfs/dbraw/zinc/06/90/58/561069058.db2.gz VTKDURUUEVIMEG-HXUWFJFHSA-N 1 0 351.535 2.232 20 30 FEEDRO CC[N@H+](CCNS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)C1CC1 ZINC000477006205 561134145 /nfs/dbraw/zinc/13/41/45/561134145.db2.gz LISMZZFPPSEFHZ-UHFFFAOYSA-N 1 0 361.389 2.340 20 30 FEEDRO N#Cc1ccc([C@H]([NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])C(N)=O)cc1 ZINC000477223277 561139735 /nfs/dbraw/zinc/13/97/35/561139735.db2.gz PHPMZGSKYRPXPG-INIZCTEOSA-N 1 0 358.785 2.479 20 30 FEEDRO Cc1ccccc1N1CC[NH+](C[C@H](O)COc2ccccc2C#N)CC1 ZINC000528342206 562323611 /nfs/dbraw/zinc/32/36/11/562323611.db2.gz OZWFFOZZIRPYMT-IBGZPJMESA-N 1 0 351.450 2.429 20 30 FEEDRO N#Cc1ccccc1OC[C@H](O)C[NH+]1CCC(CC(=O)N2CCCC2)CC1 ZINC000528355129 562324445 /nfs/dbraw/zinc/32/44/45/562324445.db2.gz YEDKIPYMVPFUNC-LJQANCHMSA-N 1 0 371.481 2.022 20 30 FEEDRO N#CC1(C[C@H](O)C[NH+]2CCC(c3nc(-c4ccccn4)no3)CC2)CC1 ZINC000528367927 562325280 /nfs/dbraw/zinc/32/52/80/562325280.db2.gz KHDMZMDCZCFNCP-HNNXBMFYSA-N 1 0 353.426 2.366 20 30 FEEDRO COc1ccc2c(c1)CC[N@@H+](C[C@@H](O)COc1ccccc1C#N)CC2 ZINC000528422167 562328575 /nfs/dbraw/zinc/32/85/75/562328575.db2.gz IRZOMCHWTCXACJ-LJQANCHMSA-N 1 0 352.434 2.407 20 30 FEEDRO N#Cc1ccccc1OC[C@@H](O)CN1CCC(C#N)(c2ccccn2)CC1 ZINC000528488495 562332062 /nfs/dbraw/zinc/33/20/62/562332062.db2.gz CHUGQFPKICGZJT-SFHVURJKSA-N 1 0 362.433 2.250 20 30 FEEDRO CCOC1CC2(C1)CC[N@H+](CC#CCN1C(=O)c3ccccc3C1=O)C2 ZINC000528501900 562332670 /nfs/dbraw/zinc/33/26/70/562332670.db2.gz FQXWGHCSGLEXBH-UHFFFAOYSA-N 1 0 352.434 2.177 20 30 FEEDRO CO[C@@H]1C[C@@H]([N@H+](C)CC#CCN2C(=O)c3ccccc3C2=O)C12CCC2 ZINC000528515463 562333370 /nfs/dbraw/zinc/33/33/70/562333370.db2.gz AAUDULZDNMXRNK-QZTJIDSGSA-N 1 0 352.434 2.175 20 30 FEEDRO CC(C)C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCN(CC#N)CC1 ZINC000528617707 562338555 /nfs/dbraw/zinc/33/85/55/562338555.db2.gz HTEUDICQZARXJQ-NHCUHLMSSA-N 1 0 368.525 2.448 20 30 FEEDRO N#Cc1ccc(C2([NH2+][C@H]3CCN(CC(F)(F)F)C3=O)CCOCC2)cc1 ZINC000528780072 562347164 /nfs/dbraw/zinc/34/71/64/562347164.db2.gz ATROYMPXGFTLRV-HNNXBMFYSA-N 1 0 367.371 2.317 20 30 FEEDRO N#Cc1ccc(CC(=O)Nc2cccc(C[NH+]3CCC(O)CC3)c2)cn1 ZINC000528795408 562348274 /nfs/dbraw/zinc/34/82/74/562348274.db2.gz QABCPMYUAQHYFU-UHFFFAOYSA-N 1 0 350.422 2.091 20 30 FEEDRO N#Cc1ccccc1N1CCCN(C(=O)N[C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000529367100 562371296 /nfs/dbraw/zinc/37/12/96/562371296.db2.gz OQRQNDSWCGWVJV-GOSISDBHSA-N 1 0 353.470 2.065 20 30 FEEDRO COCc1ccc(NC(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1C#N ZINC000529816830 562386566 /nfs/dbraw/zinc/38/65/66/562386566.db2.gz QECZCKKLHPUPCX-NRFANRHFSA-N 1 0 365.433 2.280 20 30 FEEDRO N#Cc1ccccc1OC[C@@H](O)C[NH2+][C@@H]1CCO[C@@H](c2ccccn2)C1 ZINC000530233808 562403265 /nfs/dbraw/zinc/40/32/65/562403265.db2.gz MEALQCLEHLPLFN-FUHIMQAGSA-N 1 0 353.422 2.203 20 30 FEEDRO C[NH+]1CCC(C#N)(NC(=O)CCc2ccc(Br)cc2)CC1 ZINC000531369698 562443646 /nfs/dbraw/zinc/44/36/46/562443646.db2.gz MYTOFDWDLAXNOX-UHFFFAOYSA-N 1 0 350.260 2.486 20 30 FEEDRO CCN(C[C@@H](C)C#N)C(=O)CN1CCC[C@H](CC(=O)OC(C)(C)C)C1 ZINC000531614815 562451694 /nfs/dbraw/zinc/45/16/94/562451694.db2.gz ITPKCMVRODKUSU-JKSUJKDBSA-N 1 0 351.491 2.438 20 30 FEEDRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2Cl)C1 ZINC000531786331 562456652 /nfs/dbraw/zinc/45/66/52/562456652.db2.gz OKZUQYIAGDIJRG-OAHLLOKOSA-N 1 0 374.872 2.340 20 30 FEEDRO C=CCN1C(=O)c2ccc(C(=O)N3CC[C@@H]4[C@H](CCC[N@H+]4C)C3)cc2C1=O ZINC000531982496 562463136 /nfs/dbraw/zinc/46/31/36/562463136.db2.gz VCFAUBLLUKYJFZ-CRAIPNDOSA-N 1 0 367.449 2.025 20 30 FEEDRO CC(C)Oc1ccc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)cc1C#N ZINC000532938207 562493111 /nfs/dbraw/zinc/49/31/11/562493111.db2.gz PWHFXSWKVVIMKJ-HNNXBMFYSA-N 1 0 372.469 2.130 20 30 FEEDRO COC(=O)CCC1CC[NH+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000533023285 562495958 /nfs/dbraw/zinc/49/59/58/562495958.db2.gz AJBCARZJCVBOSB-SFHVURJKSA-N 1 0 355.438 2.329 20 30 FEEDRO CC1CC(C#N)(C(=O)N2CCC(C(=O)NCCC[NH+]3CCCCC3)CC2)C1 ZINC000533565272 562513360 /nfs/dbraw/zinc/51/33/60/562513360.db2.gz GNWUSGQQYFIRID-UHFFFAOYSA-N 1 0 374.529 2.157 20 30 FEEDRO N#Cc1cccc(CNC(=O)C[N@H+](Cc2ccccc2)[C@@H](CO)C2CC2)c1 ZINC000534355235 562532479 /nfs/dbraw/zinc/53/24/79/562532479.db2.gz PLIBQRMBMFNYRQ-NRFANRHFSA-N 1 0 363.461 2.448 20 30 FEEDRO N#Cc1ccccc1OCc1ccc(C(=O)NCCNc2cc[nH+]cc2)o1 ZINC000535256918 562554347 /nfs/dbraw/zinc/55/43/47/562554347.db2.gz DWWBHSNLPMDROY-UHFFFAOYSA-N 1 0 362.389 2.389 20 30 FEEDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3ccc(CC#N)cc3)cn2)CC1 ZINC000535362088 562556900 /nfs/dbraw/zinc/55/69/00/562556900.db2.gz OLHKQQCAPUVSPZ-UHFFFAOYSA-N 1 0 363.465 2.220 20 30 FEEDRO C=C(C)[C@H](CC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)OCC ZINC000536433013 562575424 /nfs/dbraw/zinc/57/54/24/562575424.db2.gz INKUTMFCYZGLBU-ZCNNSNEGSA-N 1 0 360.498 2.357 20 30 FEEDRO C=C(C)[C@H](CC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)OCC ZINC000536433008 562575500 /nfs/dbraw/zinc/57/55/00/562575500.db2.gz INKUTMFCYZGLBU-AQNXPRMDSA-N 1 0 360.498 2.357 20 30 FEEDRO N#Cc1ccc2ncc(C[NH2+]Cc3ccnc(OC4CCOCC4)c3)n2c1 ZINC000537297471 562589314 /nfs/dbraw/zinc/58/93/14/562589314.db2.gz KLZKYLYZSUYWEL-UHFFFAOYSA-N 1 0 363.421 2.449 20 30 FEEDRO C[C@@H](C(=O)N(C)C[C@H]1COc2ccccc2O1)[NH+]1CCC(CC#N)CC1 ZINC000541025131 562600765 /nfs/dbraw/zinc/60/07/65/562600765.db2.gz TYASRWSESMIAEW-RDJZCZTQSA-N 1 0 357.454 2.299 20 30 FEEDRO C=CCN1C(=O)c2ccc(C(=O)N3CCC4(CCC[N@H+]4C)CC3)cc2C1=O ZINC000545560157 562629058 /nfs/dbraw/zinc/62/90/58/562629058.db2.gz AWKGDTJKXVPDSW-UHFFFAOYSA-N 1 0 367.449 2.169 20 30 FEEDRO CN(CCC#N)C[C@@H](O)C[NH2+][C@@H]1CCCCCN(Cc2ccccc2)C1 ZINC000601970135 567890462 /nfs/dbraw/zinc/89/04/62/567890462.db2.gz YJAZOXBBRFSJLG-RTWAWAEBSA-N 1 0 358.530 2.227 20 30 FEEDRO COCCNc1ccc(C[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000568502278 568039284 /nfs/dbraw/zinc/03/92/84/568039284.db2.gz LSWXBACFUCVKFE-UHFFFAOYSA-N 1 0 373.478 2.180 20 30 FEEDRO C[C@@H]1CN(C(=O)c2cnn(-c3ccncc3)c2C(F)F)C[C@@H](C)N1CC#N ZINC000603099573 568060385 /nfs/dbraw/zinc/06/03/85/568060385.db2.gz RZQBLXJTRBXMCD-CHWSQXEVSA-N 1 0 374.395 2.263 20 30 FEEDRO C[C@H](C(=O)N(CCC#N)c1ccccc1)n1cc([C@H]2CCC[NH2+]C2)nn1 ZINC000603172012 568071054 /nfs/dbraw/zinc/07/10/54/568071054.db2.gz BYJGOJFMUQIQPA-CVEARBPZSA-N 1 0 352.442 2.253 20 30 FEEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)Cn1cc(C[NH2+]C2CC2)nn1 ZINC000603216298 568076671 /nfs/dbraw/zinc/07/66/71/568076671.db2.gz OQNXWDZKIZHCID-ZDUSSCGKSA-N 1 0 370.482 2.421 20 30 FEEDRO COc1ccccc1O[C@@H](C)C[NH2+]CCS(=O)(=O)c1cccc(C#N)c1 ZINC000568741606 568151934 /nfs/dbraw/zinc/15/19/34/568151934.db2.gz YSUHRYBAYLKNEQ-HNNXBMFYSA-N 1 0 374.462 2.398 20 30 FEEDRO C[N@H+](CC1CC1)C[C@H]1CCN(S(=O)(=O)Cc2ccc(F)cc2C#N)C1 ZINC000568951291 568255031 /nfs/dbraw/zinc/25/50/31/568255031.db2.gz UUFIZMKQHHQBHB-OAHLLOKOSA-N 1 0 365.474 2.191 20 30 FEEDRO COc1ccc([C@@H](OC)[C@H](C)[NH2+]Cc2cnc3c(C#N)cnn3c2)cc1 ZINC000569927967 568437693 /nfs/dbraw/zinc/43/76/93/568437693.db2.gz RZNSKVKJQQXPCE-UGSOOPFHSA-N 1 0 351.410 2.475 20 30 FEEDRO C=CCN(CC=C)C(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000637185025 568534126 /nfs/dbraw/zinc/53/41/26/568534126.db2.gz DUQZFCZOOSPAJN-MJGOQNOKSA-N 1 0 355.482 2.071 20 30 FEEDRO CC[NH+](CC)Cc1ccc(C(=O)Nc2ccc(-c3nn[nH]n3)c(C#N)c2)o1 ZINC000736530886 599196856 /nfs/dbraw/zinc/19/68/56/599196856.db2.gz OFYGOOARDXKPBT-UHFFFAOYSA-N 1 0 365.397 2.425 20 30 FEEDRO N#CCCCC[NH+]1CCN(c2c(-c3nn[nH]n3)cnc3ccccc32)CC1 ZINC000737687031 598355356 /nfs/dbraw/zinc/35/53/56/598355356.db2.gz GLJASULRXNQRDF-UHFFFAOYSA-N 1 0 362.441 2.231 20 30 FEEDRO Cc1nc(Cl)cc(NN=C2c3ccccc3N(CC[NH+](C)C)C2=O)n1 ZINC000807974031 674436571 /nfs/dbraw/zinc/43/65/71/674436571.db2.gz QWTXEZYYDQJITF-UHFFFAOYSA-N 1 0 358.833 2.163 20 30 FEEDRO N#Cc1cccc(N2CC[NH+](C[C@H](O)Cc3cccc(Cl)c3)CC2)n1 ZINC000558124004 674483914 /nfs/dbraw/zinc/48/39/14/674483914.db2.gz DCUAFOJUKHGTHR-GOSISDBHSA-N 1 0 356.857 2.332 20 30 FEEDRO CC[NH+](CC)CCCNS(=O)(=O)c1cccc(Br)c1C#N ZINC000559641578 674551634 /nfs/dbraw/zinc/55/16/34/674551634.db2.gz ZZNLRYVBNCZPEA-UHFFFAOYSA-N 1 0 374.304 2.331 20 30 FEEDRO C#CC[C@@H]([NH2+]CC(=O)Nc1sccc1-c1nn[nH]n1)c1ccccc1 ZINC000823837997 608519033 /nfs/dbraw/zinc/51/90/33/608519033.db2.gz KOYCXUBJPWHDEL-CQSZACIVSA-N 1 0 352.423 2.221 20 30 FEEDRO CCS(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H](C)C(=O)NC2(C#N)CCC2)cc1 ZINC000560175156 674570922 /nfs/dbraw/zinc/57/09/22/674570922.db2.gz PGSKBRNVBGZYQW-KBPBESRZSA-N 1 0 363.483 2.082 20 30 FEEDRO CC[C@H](C)[N@H+](C)CCNS(=O)(=O)c1cccc(Br)c1C#N ZINC000561504134 674672922 /nfs/dbraw/zinc/67/29/22/674672922.db2.gz ALKJKZMUBRAIHP-NSHDSACASA-N 1 0 374.304 2.329 20 30 FEEDRO C=C(C[NH+](C)C)C(=O)N1CCC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000813648454 674764992 /nfs/dbraw/zinc/76/49/92/674764992.db2.gz GVUOSPCJNCABLD-IBGZPJMESA-N 1 0 351.491 2.354 20 30 FEEDRO C[C@@H](C[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)N(C)c1ccccc1 ZINC000562986552 674831233 /nfs/dbraw/zinc/83/12/33/674831233.db2.gz ZEBJZPBZHPPVLU-INIZCTEOSA-N 1 0 357.479 2.446 20 30 FEEDRO N#Cc1ccc(N2CCC[C@@H](N3CCO[C@@]4(CCSC4)C3)C2=O)cc1 ZINC000563067752 674843135 /nfs/dbraw/zinc/84/31/35/674843135.db2.gz IXURAMRCWYAIOZ-MJGOQNOKSA-N 1 0 357.479 2.262 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@H]1C[N@H+](CC2CCCCC2)C[C@@H]1O ZINC001047561477 674960786 /nfs/dbraw/zinc/96/07/86/674960786.db2.gz MJTAPGRVTTVAGO-VJANTYMQSA-N 1 0 350.503 2.051 20 30 FEEDRO C#CCN(C)CCC[NH2+][C@@H](CC)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000815652400 674963828 /nfs/dbraw/zinc/96/38/28/674963828.db2.gz ATHAXBWDGCSCGK-INIZCTEOSA-N 1 0 371.934 2.244 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C(N)=O)c1ccc(Br)cc1F ZINC000564074767 674970451 /nfs/dbraw/zinc/97/04/51/674970451.db2.gz VKVARBZJAKZIKO-HERUPUMHSA-N 1 0 357.223 2.295 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H](C)OC ZINC001048526328 675008909 /nfs/dbraw/zinc/00/89/09/675008909.db2.gz RVYFUYDENKVONA-RRQVMCLOSA-N 1 0 350.503 2.362 20 30 FEEDRO CC[C@@H]1[C@@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)CCN1c1snc(C)c1C#N ZINC001049005322 675020844 /nfs/dbraw/zinc/02/08/44/675020844.db2.gz OZEVBHKYBRZHGC-VBNZEHGJSA-N 1 0 361.515 2.281 20 30 FEEDRO CO[C@@H](C[NH2+]CCS(=O)(=O)c1cccc(C#N)c1)Cc1ccccc1 ZINC000564859566 675069566 /nfs/dbraw/zinc/06/95/66/675069566.db2.gz GSDBYZKMOKEUAG-GOSISDBHSA-N 1 0 358.463 2.179 20 30 FEEDRO C[NH+]1CCN(c2ccccc2NS(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000007109511 669964011 /nfs/dbraw/zinc/96/40/11/669964011.db2.gz KISBJCCQXAHPDS-UHFFFAOYSA-N 1 0 356.451 2.111 20 30 FEEDRO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCC[C@H]2C[N@H+](C)C[C@H]21 ZINC000564879857 675071531 /nfs/dbraw/zinc/07/15/31/675071531.db2.gz CNOOYSBKWQGHFB-HEHGZKQESA-N 1 0 358.511 2.461 20 30 FEEDRO CS(=O)(=O)NCC[C@@H]1CCCC[N@@H+]1CCCOc1ccc(C#N)cc1 ZINC000052134629 670309091 /nfs/dbraw/zinc/30/90/91/670309091.db2.gz HFEXPMVHJYYYPM-KRWDZBQOSA-N 1 0 365.499 2.121 20 30 FEEDRO CC1=C[C@H](C)C[N@H+](CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)C1 ZINC000569181734 670520646 /nfs/dbraw/zinc/52/06/46/670520646.db2.gz WOTZSAQJKMCJFI-DOTOQJQBSA-N 1 0 358.511 2.355 20 30 FEEDRO C=CCSc1ccccc1NC(=O)C[NH2+][C@H](CO)C1CCOCC1 ZINC000569280262 670536232 /nfs/dbraw/zinc/53/62/32/670536232.db2.gz AYEXFIKOBHAESL-MRXNPFEDSA-N 1 0 350.484 2.280 20 30 FEEDRO C=C(Br)CN1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000076324787 670548316 /nfs/dbraw/zinc/54/83/16/670548316.db2.gz KCZXWITVPVUTFW-UHFFFAOYSA-N 1 0 360.340 2.311 20 30 FEEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CS(=O)(=O)c3ccccc3O1)CC2 ZINC000570395674 670707478 /nfs/dbraw/zinc/70/74/78/670707478.db2.gz NRCDLOSQAOLZPD-NVXWUHKLSA-N 1 0 354.431 2.370 20 30 FEEDRO C[C@@H]1CCCN(C(=[NH2+])NC[C@H](O)COc2cccc(C(F)(F)F)c2)C1 ZINC000104179972 670791055 /nfs/dbraw/zinc/79/10/55/670791055.db2.gz KCPFLYFUSSGGED-OCCSQVGLSA-N 1 0 359.392 2.492 20 30 FEEDRO N#Cc1cccc(CC[NH2+][C@@H]2CCCc3cc(S(N)(=O)=O)ccc32)c1 ZINC000571185312 670832083 /nfs/dbraw/zinc/83/20/83/670832083.db2.gz QZRYMDWQDIKJHZ-LJQANCHMSA-N 1 0 355.463 2.415 20 30 FEEDRO CC[NH+]=C(NCCn1ccnc1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000114061681 670889434 /nfs/dbraw/zinc/88/94/34/670889434.db2.gz DRSRAEWJGGKTLN-UHFFFAOYSA-N 1 0 360.893 2.324 20 30 FEEDRO CC[C@H](COCC(F)(F)F)[NH2+]CCS(=O)(=O)c1cccc(C#N)c1 ZINC000571671839 670909457 /nfs/dbraw/zinc/90/94/57/670909457.db2.gz PUVPKUDXIVGMNW-CYBMUJFWSA-N 1 0 364.389 2.279 20 30 FEEDRO CC(C)CN1CCCC[C@H]1C[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000571909904 670939365 /nfs/dbraw/zinc/93/93/65/670939365.db2.gz HWDLUTILMOYBCG-SFHVURJKSA-N 1 0 363.527 2.432 20 30 FEEDRO C=CCC[C@H](CO)[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000571921045 670940722 /nfs/dbraw/zinc/94/07/22/670940722.db2.gz WSISZKKVIXBLKC-KGLIPLIRSA-N 1 0 362.239 2.245 20 30 FEEDRO C#CC[N@H+]1CCC[C@H]1COC(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCC1 ZINC000817716603 675164527 /nfs/dbraw/zinc/16/45/27/675164527.db2.gz OWBZQUWQVKNCRG-HOTGVXAUSA-N 1 0 350.459 2.321 20 30 FEEDRO N#Cc1ccc(OCC(=O)N2CC[NH+]3CCC2CC3)cc1Br ZINC000573792539 671165021 /nfs/dbraw/zinc/16/50/21/671165021.db2.gz KVUPJNBIXKLRII-UHFFFAOYSA-N 1 0 364.243 2.006 20 30 FEEDRO C[C@@H](Cc1ccc(F)c(Br)c1)[NH2+]C[C@@H](O)CN(C)CCC#N ZINC000566117296 675182835 /nfs/dbraw/zinc/18/28/35/675182835.db2.gz UEIAGUPKPBFZMT-GXTWGEPZSA-N 1 0 372.282 2.315 20 30 FEEDRO N#C[C@@H]1CN(C(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)CCO1 ZINC000609282036 675916965 /nfs/dbraw/zinc/91/69/65/675916965.db2.gz QZJHRPVXAMIUKZ-RHSMWYFYSA-N 1 0 362.861 2.411 20 30 FEEDRO CC[NH+](CC)[C@H](CNC(=O)NC1CCN(CC#N)CC1)c1ccsc1 ZINC000609336396 675918934 /nfs/dbraw/zinc/91/89/34/675918934.db2.gz WPGWXOZBGOWJMY-QGZVFWFLSA-N 1 0 363.531 2.418 20 30 FEEDRO C[N@@H+]1CCC[C@@H](CNC(=O)COc2cccc(Br)c2C#N)C1 ZINC000579673472 671752052 /nfs/dbraw/zinc/75/20/52/671752052.db2.gz KPEMPFITVYQQGY-LBPRGKRZSA-N 1 0 366.259 2.158 20 30 FEEDRO CC[NH+](CC)CC#C[C@H](C)OC(=O)c1ccc(CS(C)(=O)=O)cc1 ZINC000119417873 671898991 /nfs/dbraw/zinc/89/89/91/671898991.db2.gz FXYDODGGCXWTBF-HNNXBMFYSA-N 1 0 351.468 2.122 20 30 FEEDRO C=CCNC(=O)NC(=O)C[N@@H+](CCC)[C@H]1C[C@H](OCC)C12CCCC2 ZINC000610134191 675955943 /nfs/dbraw/zinc/95/59/43/675955943.db2.gz USHBPRLRIBMNGG-HOTGVXAUSA-N 1 0 351.491 2.448 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]CC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl ZINC000582401949 671998696 /nfs/dbraw/zinc/99/86/96/671998696.db2.gz TZNXXVKMZMAWPF-HIFRSBDPSA-N 1 0 372.874 2.005 20 30 FEEDRO C=CCN1C(=S)N=NC1c1sc(NC(=O)C[C@@H]2CC[NH2+]C2)nc1C ZINC000127969102 672043920 /nfs/dbraw/zinc/04/39/20/672043920.db2.gz PUROFNRYVUHTRJ-JTQLQIEISA-N 1 0 364.500 2.123 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)COCc2cccc(Cl)c2)c1C#N ZINC000582950663 672048780 /nfs/dbraw/zinc/04/87/80/672048780.db2.gz BZJHJPWIINJOPK-UHFFFAOYSA-N 1 0 361.833 2.242 20 30 FEEDRO C[C@H]([NH3+])[C@H]1CCCCN1S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000583142743 672067419 /nfs/dbraw/zinc/06/74/19/672067419.db2.gz JHSNPRBPZLXGCO-IINYFYTJSA-N 1 0 372.288 2.211 20 30 FEEDRO C#CCOc1ccc(F)cc1NC(=O)NC[C@@H](CC[NH+](C)C)OCC ZINC000132420261 672098071 /nfs/dbraw/zinc/09/80/71/672098071.db2.gz KQAZSRQDGPUAHU-OAHLLOKOSA-N 1 0 351.422 2.316 20 30 FEEDRO CC[C@H](C)c1ccc(NC(=[NH2+])NC[C@H]2CCCN2S(C)(=O)=O)cc1 ZINC000133937262 672117324 /nfs/dbraw/zinc/11/73/24/672117324.db2.gz HSGUWIWGMRZVSG-XJKSGUPXSA-N 1 0 352.504 2.351 20 30 FEEDRO C[NH+]=C(NC[C@@H]1CCCCO1)N1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000156116708 672242355 /nfs/dbraw/zinc/24/23/55/672242355.db2.gz HTZDUCPFSAKXAC-ROUUACIJSA-N 1 0 353.507 2.181 20 30 FEEDRO CC[NH+]=C(NCc1ccccc1Cl)N1CCS(=O)(=O)C(C)(C)C1 ZINC000158603074 672270836 /nfs/dbraw/zinc/27/08/36/672270836.db2.gz OAHYBSUYMRIFDM-UHFFFAOYSA-N 1 0 357.907 2.315 20 30 FEEDRO COc1cc(CCNC(=[NH2+])N2CCC[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000170909100 672326884 /nfs/dbraw/zinc/32/68/84/672326884.db2.gz ICXJAVHGJZKXGR-LBPRGKRZSA-N 1 0 350.419 2.201 20 30 FEEDRO CCOC(=O)N1CCC(NC(=[NH2+])NCCO[C@@H]2CCCC[C@H]2C)CC1 ZINC000170904194 672327002 /nfs/dbraw/zinc/32/70/02/672327002.db2.gz SVWNQNWJGLTPCG-GDBMZVCRSA-N 1 0 354.495 2.107 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000171724011 672335264 /nfs/dbraw/zinc/33/52/64/672335264.db2.gz PEAQBSNQHDWRAL-UHFFFAOYSA-N 1 0 351.491 2.400 20 30 FEEDRO Cn1cc(CCCNC(=[NH2+])NCc2ccc(OC(F)(F)F)cc2)cn1 ZINC000176968624 672378414 /nfs/dbraw/zinc/37/84/14/672378414.db2.gz WWWZRMCHBHBTCC-UHFFFAOYSA-N 1 0 355.364 2.356 20 30 FEEDRO CCOC(=O)CCC1CC[NH+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC1 ZINC000610995828 676009548 /nfs/dbraw/zinc/00/95/48/676009548.db2.gz GBVLFKWTJBUZRQ-DNVCBOLYSA-N 1 0 351.491 2.485 20 30 FEEDRO CC[C@@H](C#N)Oc1cc(C[NH2+][C@@H]2CCCS(=O)(=O)C2)ccc1OC ZINC000183256689 672463983 /nfs/dbraw/zinc/46/39/83/672463983.db2.gz MDGZSQVUOGIBTG-CABCVRRESA-N 1 0 352.456 2.043 20 30 FEEDRO N#C[C@@]1(NC(=O)c2ccc(C[NH+]3CCC(CO)CC3)cc2)CCSC1 ZINC000611213644 676025539 /nfs/dbraw/zinc/02/55/39/676025539.db2.gz BJYGLERPDIPLBG-IBGZPJMESA-N 1 0 359.495 2.020 20 30 FEEDRO CN(C)CC[N@H+](C)CCCNC(=O)c1c(Cl)cc(C#N)cc1Cl ZINC000589943750 672549338 /nfs/dbraw/zinc/54/93/38/672549338.db2.gz GLXGBVZEFIWPIG-UHFFFAOYSA-N 1 0 357.285 2.478 20 30 FEEDRO CCN(CCC#N)C(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C ZINC000191174669 672660692 /nfs/dbraw/zinc/66/06/92/672660692.db2.gz SBDKSEPEAHIHGW-HUUCEWRRSA-N 1 0 352.479 2.174 20 30 FEEDRO CN(CCC#N)C[C@H](O)C[NH2+][C@@H]1CCOc2ccc(Br)cc21 ZINC000591240862 672660795 /nfs/dbraw/zinc/66/07/95/672660795.db2.gz SDAJWHJMZZDDOW-UKRRQHHQSA-N 1 0 368.275 2.069 20 30 FEEDRO N#Cc1cc(S(=O)(=O)N2CCC[C@H]([C@H]3CCC[NH2+]3)C2)ccc1Cl ZINC000592376044 672793871 /nfs/dbraw/zinc/79/38/71/672793871.db2.gz XKXNESDMRCJREY-BLLLJJGKSA-N 1 0 353.875 2.364 20 30 FEEDRO N#Cc1ccsc1NC(=O)CC[NH2+][C@H](C1CC1)C1(CO)CCOCC1 ZINC000592432158 672801688 /nfs/dbraw/zinc/80/16/88/672801688.db2.gz GRZJFGPMECMBCE-MRXNPFEDSA-N 1 0 363.483 2.106 20 30 FEEDRO O=C(NCC[NH2+]Cc1cnc(-c2cccs2)s1)C1N=CC=CC1=O ZINC000255028736 672882681 /nfs/dbraw/zinc/88/26/81/672882681.db2.gz JPYQIFMMPXPRSB-CCEZHUSRSA-N 1 0 360.464 2.488 20 30 FEEDRO C[NH+]=C(NCCS(=O)(=O)c1ccccc1)N1CCS[C@@H](C(C)C)C1 ZINC000261703281 672901696 /nfs/dbraw/zinc/90/16/96/672901696.db2.gz GLHSBSJGYUKNQM-MRXNPFEDSA-N 1 0 369.556 2.109 20 30 FEEDRO C=C(C)CNC(NC[C@@H]1CCS(=O)(=O)C1)=[NH+][C@@H]1CC[C@H](C)[C@H](C)C1 ZINC000262347357 672913898 /nfs/dbraw/zinc/91/38/98/672913898.db2.gz DNCMOTLRNBRFOK-VVLHAWIVSA-N 1 0 355.548 2.357 20 30 FEEDRO C[C@H](CNC(=[NH2+])N1CCN(c2ncccn2)CC1)Sc1ccccc1 ZINC000262544275 672917532 /nfs/dbraw/zinc/91/75/32/672917532.db2.gz UIYYNFOFKXTJCN-OAHLLOKOSA-N 1 0 356.499 2.094 20 30 FEEDRO CCc1cccc(NC(=[NH2+])NC[C@H]2CCCC[C@H]2NS(C)(=O)=O)c1 ZINC000262687892 672919022 /nfs/dbraw/zinc/91/90/22/672919022.db2.gz ZEGIURVSSIGPLG-GDBMZVCRSA-N 1 0 352.504 2.084 20 30 FEEDRO C[C@@H](CNC(=O)Cc1ccc(Br)cc1C#N)[NH+]1CCCC1 ZINC000593451087 672925313 /nfs/dbraw/zinc/92/53/13/672925313.db2.gz UABCLZMZNKXNKH-LBPRGKRZSA-N 1 0 350.260 2.464 20 30 FEEDRO COc1ccc(NC(=[NH2+])NCc2nn(C)cc2Br)cc1OC ZINC000263083157 672927201 /nfs/dbraw/zinc/92/72/01/672927201.db2.gz HZUHAKTZKRYDPR-UHFFFAOYSA-N 1 0 368.235 2.127 20 30 FEEDRO C[C@@H]1C[C@@H](NC(=O)Cc2ccc(Br)cc2C#N)CC[N@@H+]1C ZINC000593486372 672929803 /nfs/dbraw/zinc/92/98/03/672929803.db2.gz URJLVUHKFNXBQZ-ABAIWWIYSA-N 1 0 350.260 2.462 20 30 FEEDRO N#Cc1cnc2c(Br)cccc2c1N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000593502433 672930590 /nfs/dbraw/zinc/93/05/90/672930590.db2.gz BUYLZWFFTWINGH-CYBMUJFWSA-N 1 0 373.254 2.124 20 30 FEEDRO Cn1ncc(NC2CC[NH+](Cc3cccc(C#N)c3)CC2)c(Cl)c1=O ZINC000593515400 672931967 /nfs/dbraw/zinc/93/19/67/672931967.db2.gz OCOLESLKSZVMHY-UHFFFAOYSA-N 1 0 357.845 2.382 20 30 FEEDRO N#Cc1cccc(CN2CCC([NH2+]Cc3cc(C(N)=O)cs3)CC2)c1 ZINC000593693064 672979758 /nfs/dbraw/zinc/97/97/58/672979758.db2.gz NTLQUJXWBCXCHM-UHFFFAOYSA-N 1 0 354.479 2.473 20 30 FEEDRO CC[N@H+](CCCNC(=O)C(=O)NCC(C)(C)CC#N)C1CCCCC1 ZINC000593932693 673010577 /nfs/dbraw/zinc/01/05/77/673010577.db2.gz XXDNISXMBXDZSQ-UHFFFAOYSA-N 1 0 350.507 2.203 20 30 FEEDRO CC[C@@H](C)NC(=[NH2+])NCCCNC(=O)c1cccc(Br)c1 ZINC000303378507 673017097 /nfs/dbraw/zinc/01/70/97/673017097.db2.gz PWPKGPNGWSURJJ-LLVKDONJSA-N 1 0 355.280 2.272 20 30 FEEDRO CNS(=O)(=O)Cc1ccc(CNC(=[NH2+])Nc2ccc(C)c(C)c2)cc1 ZINC000303788840 673017403 /nfs/dbraw/zinc/01/74/03/673017403.db2.gz UUWIQIIXKBWBRH-UHFFFAOYSA-N 1 0 360.483 2.279 20 30 FEEDRO COC[C@H](C)NC(=[NH2+])NCCCc1ccc(Br)cc1OC ZINC000305812131 673021828 /nfs/dbraw/zinc/02/18/28/673021828.db2.gz JVCKCRINLGFQBS-NSHDSACASA-N 1 0 358.280 2.330 20 30 FEEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(Cc2nc(CC)cs2)CC1 ZINC000594019746 673021930 /nfs/dbraw/zinc/02/19/30/673021930.db2.gz ROUOXCFFSGPSFS-ZDUSSCGKSA-N 1 0 364.515 2.360 20 30 FEEDRO N#Cc1ccc(NC(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1Cl ZINC000594326949 673059260 /nfs/dbraw/zinc/05/92/60/673059260.db2.gz SNMWHQXYWKVISU-HOTGVXAUSA-N 1 0 360.845 2.283 20 30 FEEDRO COc1ccc(CNC(=O)[C@H]([NH3+])CCCCC#N)cc1Br ZINC000594439831 673071737 /nfs/dbraw/zinc/07/17/37/673071737.db2.gz RCNJJDFKPATRHC-CYBMUJFWSA-N 1 0 354.248 2.485 20 30 FEEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)CCN2CCCS2(=O)=O)C1 ZINC000329103359 673072321 /nfs/dbraw/zinc/07/23/21/673072321.db2.gz DFKDXYAGXLCICU-WBVHZDCISA-N 1 0 365.499 2.204 20 30 FEEDRO CC[N@@H+]1C[C@H](C)N(C(=O)NC2CCN(c3nccs3)CC2)C[C@H]1C ZINC000329772025 673082972 /nfs/dbraw/zinc/08/29/72/673082972.db2.gz KGJNPJMRRVKVNL-KGLIPLIRSA-N 1 0 351.520 2.440 20 30 FEEDRO C=CCC[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O ZINC000721711996 673083082 /nfs/dbraw/zinc/08/30/82/673083082.db2.gz ZVLOBJAFBADDOL-LSDHHAIUSA-N 1 0 360.520 2.355 20 30 FEEDRO N#Cc1cc(F)ccc1CS(=O)(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594483023 673086389 /nfs/dbraw/zinc/08/63/89/673086389.db2.gz HPZGUWTUUUIQAN-IAGOWNOFSA-N 1 0 351.447 2.134 20 30 FEEDRO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000595072217 673190777 /nfs/dbraw/zinc/19/07/77/673190777.db2.gz HCBKCOPXKFSPHA-GFCCVEGCSA-N 1 0 362.861 2.387 20 30 FEEDRO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000595109575 673194672 /nfs/dbraw/zinc/19/46/72/673194672.db2.gz XZILWODKLKATQT-KRWDZBQOSA-N 1 0 361.492 2.456 20 30 FEEDRO Cc1cc(S(=O)(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)ccc1C#N ZINC000595119797 673196884 /nfs/dbraw/zinc/19/68/84/673196884.db2.gz HRHRBDSSHPJJLU-RTBURBONSA-N 1 0 355.463 2.291 20 30 FEEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000423023878 673201286 /nfs/dbraw/zinc/20/12/86/673201286.db2.gz KQCQLEDPJNOFQH-KRWDZBQOSA-N 1 0 367.902 2.271 20 30 FEEDRO CCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2ccccc2SCCC#N)C1 ZINC000595194493 673207852 /nfs/dbraw/zinc/20/78/52/673207852.db2.gz NWFWMEBBCAOUOL-AWEZNQCLSA-N 1 0 360.483 2.231 20 30 FEEDRO N#CCCC[C@H]([NH3+])C(=O)Nc1ccc(I)cc1F ZINC000595255044 673214101 /nfs/dbraw/zinc/21/41/01/673214101.db2.gz HMPCIJSQJAEPCT-JTQLQIEISA-N 1 0 361.158 2.390 20 30 FEEDRO C=CCSCC[NH2+]Cc1c(C)nn([C@@H]2CCS(=O)(=O)C2)c1Cl ZINC000729683267 673243895 /nfs/dbraw/zinc/24/38/95/673243895.db2.gz VIISCEQVNFKJPT-GFCCVEGCSA-N 1 0 363.936 2.213 20 30 FEEDRO N#Cc1ccc(F)c(CS(=O)(=O)NC[C@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC000595411456 673246144 /nfs/dbraw/zinc/24/61/44/673246144.db2.gz QFHIVHDRQUFRJE-MRXNPFEDSA-N 1 0 365.474 2.239 20 30 FEEDRO COCC1([NH2+]CCC(=O)Nc2ccc(C#N)c(Cl)c2)CCOCC1 ZINC000595499014 673258344 /nfs/dbraw/zinc/25/83/44/673258344.db2.gz KAKACZRVGFJGAN-UHFFFAOYSA-N 1 0 351.834 2.325 20 30 FEEDRO CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+]CC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000595631685 673276301 /nfs/dbraw/zinc/27/63/01/673276301.db2.gz JWNAGLUBXQLBDE-XGWLTEMNSA-N 1 0 365.861 2.306 20 30 FEEDRO COc1cc(Br)cc(C[NH2+]C2CCN(CC#N)CC2)c1O ZINC000730578204 673284975 /nfs/dbraw/zinc/28/49/75/673284975.db2.gz BDFXYWXYBYLPMD-UHFFFAOYSA-N 1 0 354.248 2.241 20 30 FEEDRO C[NH+](C)CCCNC(=S)NN=Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000731929638 673348377 /nfs/dbraw/zinc/34/83/77/673348377.db2.gz HPMAWAVVKONJEX-UHFFFAOYSA-N 1 0 364.906 2.275 20 30 FEEDRO COc1ccc(C(C)=NNCCS(C)(=O)=O)cc1C[NH+]1CCCCC1 ZINC000733203785 673403214 /nfs/dbraw/zinc/40/32/14/673403214.db2.gz ADLSWBYSFXIXRK-UHFFFAOYSA-N 1 0 367.515 2.039 20 30 FEEDRO CC(C)(C)OC(=O)C1CC[NH+](C[C@H](O)CC2(C#N)CCOCC2)CC1 ZINC000599281873 673653126 /nfs/dbraw/zinc/65/31/26/673653126.db2.gz WUJYLYRCAPKLLL-MRXNPFEDSA-N 1 0 352.475 2.111 20 30 FEEDRO COC[C@H]([NH2+]C[C@@H](O)CC1(C#N)CCOCC1)c1ccc(F)c(F)c1 ZINC000599354576 673663130 /nfs/dbraw/zinc/66/31/30/673663130.db2.gz QJSQQUDZIDRIHY-YOEHRIQHSA-N 1 0 354.397 2.313 20 30 FEEDRO CCC[C@@]1(C(=O)OCC)CCC[N@@H+]1C[C@H](O)CC1(C#N)CCOCC1 ZINC000599386708 673667464 /nfs/dbraw/zinc/66/74/64/673667464.db2.gz WNYUPPKXNODASW-APWZRJJASA-N 1 0 352.475 2.256 20 30 FEEDRO CC[C@@](C)(C(=O)OC)[N@H+](C[C@H](O)CC1(C#N)CCOCC1)CC1CC1 ZINC000599439915 673675668 /nfs/dbraw/zinc/67/56/68/673675668.db2.gz JHIUNJJHHRIXQF-AEFFLSMTSA-N 1 0 352.475 2.111 20 30 FEEDRO CCN(CC)S(=O)(=O)c1ccc(N=NC2CC[N@H+](CC)C[C@@H]2C)nc1 ZINC000741454096 673687500 /nfs/dbraw/zinc/68/75/00/673687500.db2.gz BZKWGFGNRBVHGK-AWEZNQCLSA-N 1 0 367.519 2.242 20 30 FEEDRO N#Cc1ccsc1NC(=O)CC[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000544439349 673711959 /nfs/dbraw/zinc/71/19/59/673711959.db2.gz UYQPIYWYNDSSHE-UHFFFAOYSA-N 1 0 357.395 2.310 20 30 FEEDRO Cc1c2cc(C#N)ccc2sc1C(=O)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000599939044 673729068 /nfs/dbraw/zinc/72/90/68/673729068.db2.gz GBZMWRQCQBHSBH-LSDHHAIUSA-N 1 0 355.463 2.363 20 30 FEEDRO CCC(C#N)(CC)C(=O)N[C@@H](CC(C)C)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000599968506 673731104 /nfs/dbraw/zinc/73/11/04/673731104.db2.gz KQIFAVJNXRNGFA-CVEARBPZSA-N 1 0 350.507 2.010 20 30 FEEDRO COCCOc1ccc(C(=O)NC2(C#N)CC[NH+](C)CC2)c(Cl)c1 ZINC000546729576 673813677 /nfs/dbraw/zinc/81/36/77/673813677.db2.gz UJQZPMNJNCBDCT-UHFFFAOYSA-N 1 0 351.834 2.083 20 30 FEEDRO N#Cc1cnc(N2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)c2sccc21 ZINC000601133080 673827992 /nfs/dbraw/zinc/82/79/92/673827992.db2.gz TVBVFYQFUQRALK-HNNXBMFYSA-N 1 0 355.467 2.086 20 30 FEEDRO Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000601319580 673841918 /nfs/dbraw/zinc/84/19/18/673841918.db2.gz PLXDYXODIQZOGV-INIZCTEOSA-N 1 0 351.447 2.255 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2CCC[C@H]3C[NH2+]CC[C@@H]32)cc1C(F)(F)F ZINC000601351702 673846545 /nfs/dbraw/zinc/84/65/45/673846545.db2.gz MJXFMMUPZBHVQM-WFASDCNBSA-N 1 0 373.400 2.340 20 30 FEEDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2c(C)cc(F)cc2C#N)[C@H](C)C1 ZINC000601357016 673847514 /nfs/dbraw/zinc/84/75/14/673847514.db2.gz YGJLMWQUTYQBDV-CJNGLKHVSA-N 1 0 353.463 2.357 20 30 FEEDRO Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000601372445 673850546 /nfs/dbraw/zinc/85/05/46/673850546.db2.gz YFZNQERSFLMEOS-CJNGLKHVSA-N 1 0 351.447 2.111 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N[C@H](c2c(C)nn(C)c2C)C(F)(F)F)CC1 ZINC000746446353 673878498 /nfs/dbraw/zinc/87/84/98/673878498.db2.gz GUZMWZDNTWVSAK-OAHLLOKOSA-N 1 0 356.392 2.102 20 30 FEEDRO CC(=NNC(=S)NCC(F)(F)F)c1cccc(OCC[NH+](C)C)c1 ZINC000746492609 673881573 /nfs/dbraw/zinc/88/15/73/673881573.db2.gz ZVFAQWLGHLLJHH-UHFFFAOYSA-N 1 0 362.421 2.377 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+]CC2([C@@H]3CCCCO3)CCC2)nc1 ZINC000601969666 673900564 /nfs/dbraw/zinc/90/05/64/673900564.db2.gz RTLDHNWUNDJZQB-INIZCTEOSA-N 1 0 363.483 2.056 20 30 FEEDRO C[N@H+](CC(=O)N1CCC(Nc2ccccc2C#N)CC1)[C@@H]1CCSC1 ZINC000602191126 673903129 /nfs/dbraw/zinc/90/31/29/673903129.db2.gz KZYZPQQQXIZTBG-QGZVFWFLSA-N 1 0 358.511 2.398 20 30 FEEDRO C[NH+](C)C[C@]1(O)CCCN(Cc2cc(C#N)ccc2Br)C1 ZINC000602878512 673912185 /nfs/dbraw/zinc/91/21/85/673912185.db2.gz XTHRHCXLQXRHSU-MRXNPFEDSA-N 1 0 352.276 2.209 20 30 FEEDRO C[NH2+]Cc1cn([C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)nn1 ZINC000603184879 673918463 /nfs/dbraw/zinc/91/84/63/673918463.db2.gz CVMLMABRAQSZJF-LLVKDONJSA-N 1 0 358.471 2.399 20 30 FEEDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)Nc1ccc(C#N)cc1CS(N)(=O)=O ZINC000603279555 673921626 /nfs/dbraw/zinc/92/16/26/673921626.db2.gz FOYSPVGKIPSMNP-QLFBSQMISA-N 1 0 364.515 2.125 20 30 FEEDRO C[C@H]1CCC[N@H+](CCCCNc2ccc(C#N)cc2CS(N)(=O)=O)C1 ZINC000603282052 673921791 /nfs/dbraw/zinc/92/17/91/673921791.db2.gz BPSWVMKFINPVPE-HNNXBMFYSA-N 1 0 364.515 2.271 20 30 FEEDRO C#CC[N@@H+](C)CCCNC(=O)c1nnn(-c2cccc(Cl)c2)c1CC ZINC000818599555 675227383 /nfs/dbraw/zinc/22/73/83/675227383.db2.gz XGLWZYYYQMEGEX-UHFFFAOYSA-N 1 0 359.861 2.168 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)c1cnnn1-c1c(Cl)cccc1Cl ZINC000818606480 675228102 /nfs/dbraw/zinc/22/81/02/675228102.db2.gz VCUNHJVYZFREPF-UHFFFAOYSA-N 1 0 366.252 2.259 20 30 FEEDRO C#CC[N@@H+](C)CCCNC(=O)[C@H]1C[C@@H](C)CCN1C(=O)OC(C)(C)C ZINC000818609394 675228412 /nfs/dbraw/zinc/22/84/12/675228412.db2.gz SQPXIBDHHABHDC-JKSUJKDBSA-N 1 0 351.491 2.093 20 30 FEEDRO N#Cc1ccc(OC[C@H](O)C[NH2+][C@@H]2CC[C@@H]3SCCS[C@H]23)cc1 ZINC000819197584 675268841 /nfs/dbraw/zinc/26/88/41/675268841.db2.gz KVQSSVHCLQDRNA-MXASKKJJSA-N 1 0 350.509 2.267 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H]2CC[C@H]3SCCS[C@@H]23)cc1 ZINC000819198902 675269193 /nfs/dbraw/zinc/26/91/93/675269193.db2.gz VOMXNDVIHNDOJC-OAGGEKHMSA-N 1 0 368.549 2.301 20 30 FEEDRO C[NH+](C)C[C@@H]1CCCN1C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C ZINC000819230869 675272258 /nfs/dbraw/zinc/27/22/58/675272258.db2.gz MYJNITVEDHOAKX-GJZGRUSLSA-N 1 0 352.479 2.126 20 30 FEEDRO Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+]C[C@H](O)c2ccc(C#N)cc2)cc1 ZINC000819241846 675273412 /nfs/dbraw/zinc/27/34/12/675273412.db2.gz XQMBAEPHAOVEEP-KXBFYZLASA-N 1 0 358.463 2.352 20 30 FEEDRO C[C@@H]1CN(CCS(=O)(=O)c2cccc(C#N)c2)CC[N@@H+](C2CCC2)C1 ZINC000567210082 675275533 /nfs/dbraw/zinc/27/55/33/675275533.db2.gz SFQSFWPFDIGZEO-MRXNPFEDSA-N 1 0 361.511 2.138 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+]C[C@@H](CO)CC2CCCC2)cc1 ZINC000567352952 675286866 /nfs/dbraw/zinc/28/68/66/675286866.db2.gz TVEPJJXRERWTEN-KRWDZBQOSA-N 1 0 350.484 2.110 20 30 FEEDRO C=CCn1c(Cc2nc(C)cs2)nnc1N1CC[NH+](C2CCC2)CC1 ZINC000567612332 675306380 /nfs/dbraw/zinc/30/63/80/675306380.db2.gz KCAOLEJNTPBRGW-UHFFFAOYSA-N 1 0 358.515 2.494 20 30 FEEDRO C#C[C@@H](NC(=O)N1CC[N@H+](CCO)C(C)(C)C1)c1ccc(Cl)cc1F ZINC000820751304 675385175 /nfs/dbraw/zinc/38/51/75/675385175.db2.gz WJYLHOAEHYYGEI-MRXNPFEDSA-N 1 0 367.852 2.252 20 30 FEEDRO C=C(C)Cn1c(-c2sccc2C)nnc1N1CCN2CCOC[C@@H]2C1 ZINC000569006061 675417072 /nfs/dbraw/zinc/41/70/72/675417072.db2.gz HSFLVIFWWZAMQH-HNNXBMFYSA-N 1 0 359.499 2.412 20 30 FEEDRO C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CCC(F)(F)CC1 ZINC000828429941 675819533 /nfs/dbraw/zinc/81/95/33/675819533.db2.gz AJDZXCFNCOFODG-KGLIPLIRSA-N 1 0 353.417 2.235 20 30 FEEDRO C=C(C[NH+](C)C)C(=O)N1CCC(c2nc(C)c(C(=O)OCC)s2)CC1 ZINC000828748249 675842025 /nfs/dbraw/zinc/84/20/25/675842025.db2.gz ABWSUCTZJAJTIE-UHFFFAOYSA-N 1 0 365.499 2.452 20 30 FEEDRO C=C(C)C[C@H](NC(C)=O)C(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000616157036 676241054 /nfs/dbraw/zinc/24/10/54/676241054.db2.gz QYFRZHXKBBXAIT-HNNXBMFYSA-N 1 0 363.424 2.333 20 30 FEEDRO C=C(C)C[NH+]1CCC(NCc2ccc(Cl)c(S(N)(=O)=O)c2)CC1 ZINC000631063864 676931534 /nfs/dbraw/zinc/93/15/34/676931534.db2.gz GZISIJFDYCGRKY-UHFFFAOYSA-N 1 0 357.907 2.118 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCC(C)(C)C(F)(F)CC)CC1 ZINC000636676919 677123938 /nfs/dbraw/zinc/12/39/38/677123938.db2.gz MYUTZRGXQOLQNL-UHFFFAOYSA-N 1 0 359.461 2.331 20 30 FEEDRO C=CC[C@@H]1N(C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)CCCC1(C)C ZINC000637375371 677127323 /nfs/dbraw/zinc/12/73/23/677127323.db2.gz JPUYTDMMPNAMPC-HOTGVXAUSA-N 1 0 350.507 2.103 20 30 FEEDRO C=CCNC(=O)C[NH2+][C@H]1CCN(C)[C@@H](c2ccc(Br)cc2)C1 ZINC000638847334 677151089 /nfs/dbraw/zinc/15/10/89/677151089.db2.gz PKLBNSUSYHIYOG-JKSUJKDBSA-N 1 0 366.303 2.476 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)NCCSCc1ccnc(Cl)c1 ZINC000838547360 680700707 /nfs/dbraw/zinc/70/07/07/680700707.db2.gz ITEGVQPQFTYYRB-UHFFFAOYSA-N 1 0 354.907 2.223 20 30 FEEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@@H](C)C(=O)Nc2cccc(S(=O)(=O)NC)c2)C1 ZINC000651700372 677445450 /nfs/dbraw/zinc/44/54/50/677445450.db2.gz BMCDRNMRLFRZLQ-SQWLQELKSA-N 1 0 365.499 2.256 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)Nc1ccc(I)cc1 ZINC000838624118 680706784 /nfs/dbraw/zinc/70/67/84/680706784.db2.gz HYIJIZYALVCZAA-UHFFFAOYSA-N 1 0 371.222 2.368 20 30 FEEDRO C#C[C@H]([NH2+]CCC(=O)Nc1cc(OC)c(Cl)cc1OC)[C@@H]1CCCO1 ZINC000839565644 680762390 /nfs/dbraw/zinc/76/23/90/680762390.db2.gz ZETAAGXYGSYWFT-ZFWWWQNUSA-N 1 0 366.845 2.456 20 30 FEEDRO C=CCC1([NH2+]CCC(=O)Nc2cccc(S(N)(=O)=O)c2)CCCC1 ZINC000661867834 678544523 /nfs/dbraw/zinc/54/45/23/678544523.db2.gz ZSPDDCUOSFVROM-UHFFFAOYSA-N 1 0 351.472 2.141 20 30 FEEDRO C=CC[C@]1(C(=O)Nc2cccc(S(=O)(=O)NC(C)(C)C)c2)CCC[NH2+]1 ZINC000662448970 678622352 /nfs/dbraw/zinc/62/23/52/678622352.db2.gz HUHJAJWKFUULOV-GOSISDBHSA-N 1 0 365.499 2.400 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@H](C[C@@H]2COCCO2)C(F)(F)F)CC1 ZINC000668370087 679170097 /nfs/dbraw/zinc/17/00/97/679170097.db2.gz MXKXDSMOSRSLPQ-CABCVRRESA-N 1 0 364.408 2.127 20 30 FEEDRO C[C@H]([NH2+]C1CCN(CC#N)CC1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000765856586 680857722 /nfs/dbraw/zinc/85/77/22/680857722.db2.gz OBOJGNBKCMNJFJ-LBPRGKRZSA-N 1 0 357.426 2.321 20 30 FEEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)Nc1ccc(N2CCSCC2)c(Cl)c1 ZINC000841093975 680862860 /nfs/dbraw/zinc/86/28/60/680862860.db2.gz WLBCQBAAJRBJIS-BXUZGUMPSA-N 1 0 365.890 2.126 20 30 FEEDRO C=C(Cl)C(C)(C)C(=O)N1CC[C@@H]2CN(C(=O)C[N@H+]3CCC[C@H]3C)[C@@H]2C1 ZINC000975212409 680022038 /nfs/dbraw/zinc/02/20/38/680022038.db2.gz OSQTYLYBGRYEFB-FVQBIDKESA-N 1 0 367.921 2.309 20 30 FEEDRO CCCC[N@H+](C)CC1CCN(c2ccc(S(N)(=O)=O)cc2C#N)CC1 ZINC000749272436 680035953 /nfs/dbraw/zinc/03/59/53/680035953.db2.gz QPHAVTLYTXXGFS-UHFFFAOYSA-N 1 0 364.515 2.154 20 30 FEEDRO C[C@@H]1[C@H](C(=O)N[C@H]2CCN(CC#Cc3ccccc3Cl)C2)CC[N@@H+]1C ZINC001014475992 680038738 /nfs/dbraw/zinc/03/87/38/680038738.db2.gz MZZSJVOJIVJTOY-BPQIPLTHSA-N 1 0 359.901 2.222 20 30 FEEDRO C=C(C)[C@H](CO)[N@@H+]1C[C@H](CNC(=O)OC(C)(C)C)C2(C1)CCOCC2 ZINC000832031414 680079120 /nfs/dbraw/zinc/07/91/20/680079120.db2.gz ZTIUUOFPCBWKBV-HOTGVXAUSA-N 1 0 354.491 2.177 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N[C@]12CCC[C@@H]1[N@H+](CCc1ccns1)CC2 ZINC000992242435 680097586 /nfs/dbraw/zinc/09/75/86/680097586.db2.gz RNKDLLUSTGWVLL-DFEOGRTESA-N 1 0 361.511 2.390 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCc2ccc(F)c(F)c2)C1 ZINC001020604555 680111997 /nfs/dbraw/zinc/11/19/97/680111997.db2.gz CVUFEOUSVOWNQF-ADAWSYLGSA-N 1 0 350.409 2.335 20 30 FEEDRO C#CCN(C)C(=O)C(=O)Nc1ccc(SCC[NH+]2CCCCC2)cc1 ZINC000832409932 680130974 /nfs/dbraw/zinc/13/09/74/680130974.db2.gz OECDXFGXXUDNLN-UHFFFAOYSA-N 1 0 359.495 2.295 20 30 FEEDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNS(=O)(=O)c2cccc(F)c2C#N)C1 ZINC000751008434 680147377 /nfs/dbraw/zinc/14/73/77/680147377.db2.gz MYJOPGIEWVTCES-OKILXGFUSA-N 1 0 353.463 2.344 20 30 FEEDRO CC[C@H](Cc1ccccc1Br)C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000834479618 680233021 /nfs/dbraw/zinc/23/30/21/680233021.db2.gz GXBPNXFJEBFABL-OSAQELSMSA-N 1 0 350.260 2.246 20 30 FEEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)CCc1nc2cc(C(F)(F)F)ccc2s1 ZINC000834485656 680233409 /nfs/dbraw/zinc/23/34/09/680233409.db2.gz ZWJDYVFHOZNTSI-SKDRFNHKSA-N 1 0 368.384 2.475 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]([NH2+]CCC2CCOCC2)C(C)(C)C1 ZINC000996331333 680328715 /nfs/dbraw/zinc/32/87/15/680328715.db2.gz QVMKZBQDTDTRSZ-SQNIBIBYSA-N 1 0 350.503 2.221 20 30 FEEDRO C=C(Br)C[NH2+]C1CCN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)CC1 ZINC000996810922 680341492 /nfs/dbraw/zinc/34/14/92/680341492.db2.gz LFDNXQVLDMBQSS-AEGPPILISA-N 1 0 357.292 2.291 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC([NH2+]C[C@@H]2CCCOC2)CC1 ZINC000997087727 680347262 /nfs/dbraw/zinc/34/72/62/680347262.db2.gz YYVHXSKYDXLSDZ-WDSOQIARSA-N 1 0 350.503 2.365 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)C1CC[NH+](CCc2ccns2)CC1 ZINC000997760790 680365298 /nfs/dbraw/zinc/36/52/98/680365298.db2.gz IUXBNLFQUNDCKP-QGTPRVQTSA-N 1 0 363.527 2.493 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(C[NH2+]C[C@@H]2CC(C)(C)CO2)CC1 ZINC000998095741 680375097 /nfs/dbraw/zinc/37/50/97/680375097.db2.gz VXVOEMSNDSQYCP-KSZLIROESA-N 1 0 350.503 2.221 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](Cc2cc(OC)ns2)C1 ZINC001028863942 680385649 /nfs/dbraw/zinc/38/56/49/680385649.db2.gz HCUCHJVSVZRIMH-QRTARXTBSA-N 1 0 365.499 2.071 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([C@@H](C)[NH2+]Cc2nnc(C)s2)CC1 ZINC001029146049 680387413 /nfs/dbraw/zinc/38/74/13/680387413.db2.gz JIUNHBBGULOPHR-WQVCFCJDSA-N 1 0 364.515 2.154 20 30 FEEDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(c2cccc(S(N)(=O)=O)c2C#N)C1 ZINC000754975359 680391102 /nfs/dbraw/zinc/39/11/02/680391102.db2.gz DYNPCICIUVKMPZ-RBSFLKMASA-N 1 0 362.499 2.047 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(C[N@H+](C)CC2CCOCC2)CC1 ZINC001029997751 680395972 /nfs/dbraw/zinc/39/59/72/680395972.db2.gz CNVIODPKTUBWAS-MOPGFXCFSA-N 1 0 350.503 2.175 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1C[NH+](C[C@@H](OC)C2CCCC2)C1 ZINC001032047779 680412266 /nfs/dbraw/zinc/41/22/66/680412266.db2.gz MLNXQBSJMZPBPG-OTWHNJEPSA-N 1 0 350.503 2.221 20 30 FEEDRO C=C(Br)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCO[C@H]2C(=C)C)C1 ZINC001000426205 680431869 /nfs/dbraw/zinc/43/18/69/680431869.db2.gz HIRNIGOAMKSHBY-ILXRZTDVSA-N 1 0 357.292 2.457 20 30 FEEDRO C=C(Br)C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCO[C@H]2C(=C)C)C1 ZINC001000426208 680431906 /nfs/dbraw/zinc/43/19/06/680431906.db2.gz HIRNIGOAMKSHBY-KKUMJFAQSA-N 1 0 357.292 2.457 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCCC[N@H+](CC2CCOCC2)C1 ZINC001034440818 680436124 /nfs/dbraw/zinc/43/61/24/680436124.db2.gz YWSDEDCUJUCLQH-QYZOEREBSA-N 1 0 350.503 2.365 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]C[C@H]2CC(C)(C)CO2)CC1 ZINC001034738763 680439130 /nfs/dbraw/zinc/43/91/30/680439130.db2.gz HCHXOJFLCQAJMD-ZKXLYKBJSA-N 1 0 350.503 2.410 20 30 FEEDRO C[C@@H]1C[N@@H+](C2CC2)CC1N=Nc1ccc(S(=O)(=O)NC(C)(C)C)cn1 ZINC000755893207 680443093 /nfs/dbraw/zinc/44/30/93/680443093.db2.gz QPYCLMYUPAQPRG-GFCCVEGCSA-N 1 0 365.503 2.040 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC2(CC[N@@H+]([C@H](C)COC)C2)CC1 ZINC001035185943 680443474 /nfs/dbraw/zinc/44/34/74/680443474.db2.gz MQPSEPAKYREDGX-KURKYZTESA-N 1 0 350.503 2.317 20 30 FEEDRO C=C(Cl)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[C@@H]3O[C@H]1[C@H]1C[C@H]13)CC2 ZINC001035208230 680444154 /nfs/dbraw/zinc/44/41/54/680444154.db2.gz RVHNDOQQMCSKOP-ALYAQQCSSA-N 1 0 350.890 2.477 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC2(CC[N@@H+](C[C@@H](CC)OC)C2)CC1 ZINC001035230999 680444682 /nfs/dbraw/zinc/44/46/82/680444682.db2.gz UAUYUEZHICVBII-KURKYZTESA-N 1 0 350.503 2.317 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N(C)CCNC(=O)OC(C)(C)C)CC1 ZINC000836286885 680445002 /nfs/dbraw/zinc/44/50/02/680445002.db2.gz KMAZLKBFTQSXHP-UHFFFAOYSA-N 1 0 354.495 2.193 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([N@H+](C)CC[C@H]2CCOC2)CC1 ZINC000985435526 680447820 /nfs/dbraw/zinc/44/78/20/680447820.db2.gz NQFHSGZPNZRFTO-UHOSZYNNSA-N 1 0 350.503 2.317 20 30 FEEDRO C=C(Cl)C[N@H+]1CC[C@H](C2CCN(C(=O)[C@H]3C[C@H]3C(=O)N(C)C)CC2)C1 ZINC001039159500 680462305 /nfs/dbraw/zinc/46/23/05/680462305.db2.gz PNZQUQWUJNGWLU-BBWFWOEESA-N 1 0 367.921 2.024 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)N1CCc2c(Br)cccc2C1 ZINC000836487222 680475724 /nfs/dbraw/zinc/47/57/24/680475724.db2.gz BKGWAJCJHQSXIJ-UHFFFAOYSA-N 1 0 364.287 2.472 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)NCCC(=O)Nc1cccc(Cl)c1C ZINC000836487229 680475757 /nfs/dbraw/zinc/47/57/57/680475757.db2.gz BLLBHTGEOOFWOU-UHFFFAOYSA-N 1 0 364.877 2.231 20 30 FEEDRO C#CC[N@@H+](C)CCCNC(=O)N(C)Cc1csc([C@@H](C)OCC)n1 ZINC000836488988 680476048 /nfs/dbraw/zinc/47/60/48/680476048.db2.gz SNIICVLKVOKNDX-CQSZACIVSA-N 1 0 352.504 2.337 20 30 FEEDRO C=C(Cl)C(C)(C)C(=O)N1C[C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@H]2C1 ZINC000986158724 680497422 /nfs/dbraw/zinc/49/74/22/680497422.db2.gz QRAJVLGSRKRDJO-OAGGEKHMSA-N 1 0 367.921 2.024 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)NC1CC[NH+](CCC[C@@H]2CCOC2)CC1 ZINC001002848318 680510612 /nfs/dbraw/zinc/51/06/12/680510612.db2.gz JFJIXEHSIFNNLF-QRQLOZEOSA-N 1 0 350.503 2.365 20 30 FEEDRO CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(c2snc(C)c2C#N)C[C@H]1C ZINC001042008320 680518229 /nfs/dbraw/zinc/51/82/29/680518229.db2.gz UEGQMXBOXGZZRT-WQVCFCJDSA-N 1 0 361.515 2.139 20 30 FEEDRO C=C(Cl)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2C[C@H]2C(=O)N(C)C)CC1 ZINC001004548237 680559812 /nfs/dbraw/zinc/55/98/12/680559812.db2.gz QRLURCNOWAMPGO-IXDOHACOSA-N 1 0 367.921 2.166 20 30 FEEDRO C[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1Nc1snc(Cl)c1C#N ZINC001043251198 680569600 /nfs/dbraw/zinc/56/96/00/680569600.db2.gz LPGAUDHHERXLMA-NQBHXWOUSA-N 1 0 367.906 2.269 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1CC[NH+](C[C@H]2CCCCO2)CC1 ZINC001005409973 680574479 /nfs/dbraw/zinc/57/44/79/680574479.db2.gz NYKJABBYIBXBDP-QRVBRYPASA-N 1 0 350.503 2.460 20 30 FEEDRO C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1Nc1ncc(C#N)cc1Cl ZINC001043450582 680582371 /nfs/dbraw/zinc/58/23/71/680582371.db2.gz JSEGCMAXLTVFIO-WQVCFCJDSA-N 1 0 361.877 2.350 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)C1C[NH+](CCC2CCOCC2)C1 ZINC001044029378 680606443 /nfs/dbraw/zinc/60/64/43/680606443.db2.gz GWWCAGVGKYXSAM-OALUTQOASA-N 1 0 350.503 2.317 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1c(C)nn(C)c1Cl ZINC001045208198 680624808 /nfs/dbraw/zinc/62/48/08/680624808.db2.gz XJVJVJFTGAUHTJ-LZWOXQAQSA-N 1 0 366.893 2.054 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CC2(CO1)CC[NH+](CCC)CC2 ZINC001045681411 680637986 /nfs/dbraw/zinc/63/79/86/680637986.db2.gz GZBBNKBKRXGVHR-SQNIBIBYSA-N 1 0 350.503 2.365 20 30 FEEDRO C=C(Cl)C[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CN(C)C[C@@H](C)O1)C2 ZINC001045946897 680642069 /nfs/dbraw/zinc/64/20/69/680642069.db2.gz DMPXBXLDXOHHNT-ZHALLVOQSA-N 1 0 369.937 2.163 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@]1(C)CC[N@H+](CCC2CCOCC2)C1 ZINC001046325687 680645720 /nfs/dbraw/zinc/64/57/20/680645720.db2.gz AAVBLJIESBWGER-HBFSDRIKSA-N 1 0 350.503 2.365 20 30 FEEDRO C=C(C)C[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2C[C@H]2c2cnn(C)c2)C1 ZINC001046976988 680655689 /nfs/dbraw/zinc/65/56/89/680655689.db2.gz IGPTXEPWRCMVBG-OWCLPIDISA-N 1 0 352.429 2.173 20 30 FEEDRO CCOc1ccc(NC(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)cc1Br ZINC000841200435 680868740 /nfs/dbraw/zinc/86/87/40/680868740.db2.gz BAZUIUXLRSXWSB-JOYOIKCWSA-N 1 0 353.220 2.081 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)C(=O)NCc1ccc(CC[NH3+])cc1 ZINC000842230856 680933998 /nfs/dbraw/zinc/93/39/98/680933998.db2.gz KFDAAASCKAEALH-UHFFFAOYSA-N 1 0 357.479 2.080 20 30 FEEDRO C#CCC[C@H](O)C[NH2+]CCC(=O)Nc1cc(OC)c(Cl)cc1OC ZINC000843101908 680987675 /nfs/dbraw/zinc/98/76/75/680987675.db2.gz RQDIWJRBPHXSJN-LBPRGKRZSA-N 1 0 354.834 2.050 20 30 FEEDRO C#CCC[C@@H](O)C[NH2+]CCC(=O)Nc1cc(OC)c(Cl)cc1OC ZINC000843101907 680987813 /nfs/dbraw/zinc/98/78/13/680987813.db2.gz RQDIWJRBPHXSJN-GFCCVEGCSA-N 1 0 354.834 2.050 20 30 FEEDRO CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccc(O[C@H](C)C#N)cc2)C1 ZINC000843433173 681003714 /nfs/dbraw/zinc/00/37/14/681003714.db2.gz VKIWXKRNWXBQQR-MLGOLLRUSA-N 1 0 355.360 2.478 20 30 FEEDRO N#Cc1ccc(C[N@H+]2C[C@@H]3CCCN(C(=O)[C@]45C[C@H]4COC5)[C@@H]3C2)s1 ZINC001050052040 681040112 /nfs/dbraw/zinc/04/01/12/681040112.db2.gz NSFPLLJDNCGQGM-PDVMFTSQSA-N 1 0 357.479 2.079 20 30 FEEDRO C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)CCN1c1snc(Cl)c1C#N ZINC001050901818 681057385 /nfs/dbraw/zinc/05/73/85/681057385.db2.gz ANFNGOPCHWCKOD-WXHSDQCUSA-N 1 0 367.906 2.236 20 30 FEEDRO C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)CCN1c1nc(C#N)c(Cl)s1 ZINC001050902126 681057430 /nfs/dbraw/zinc/05/74/30/681057430.db2.gz IRYSWNJKUVLIGC-MDZLAQPJSA-N 1 0 367.906 2.236 20 30 FEEDRO C[C@@H]1[C@H](C(=O)NCC2CC(Nc3ncc(C#N)cc3Cl)C2)CC[N@@H+]1C ZINC001052124631 681071832 /nfs/dbraw/zinc/07/18/32/681071832.db2.gz QYCYZIQKRVWYQH-BNQIPGGESA-N 1 0 361.877 2.254 20 30 FEEDRO C[C@@H]1C[N@H+](CCC(=O)N(C)CCC#N)[C@@H](C)CN1C(=O)OC(C)(C)C ZINC000772323118 681092876 /nfs/dbraw/zinc/09/28/76/681092876.db2.gz HJKVZCOQNMNFLQ-LSDHHAIUSA-N 1 0 352.479 2.078 20 30 FEEDRO C#CCSCCNC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000845002197 681097776 /nfs/dbraw/zinc/09/77/76/681097776.db2.gz HPWISQILBSBKOV-UHFFFAOYSA-N 1 0 356.495 2.188 20 30 FEEDRO C#CCOc1ccc([C@@H](C)[NH2+][C@@H](CCSC)C(=O)N(C)OC)cc1 ZINC000773050144 681122564 /nfs/dbraw/zinc/12/25/64/681122564.db2.gz FEJAPJOTCBBKNM-PBHICJAKSA-N 1 0 350.484 2.491 20 30 FEEDRO C[C@@H]1[C@H](C(=O)N2CCC(Nc3nc(C#N)c(Cl)s3)CC2)CC[N@@H+]1C ZINC001057443209 681160654 /nfs/dbraw/zinc/16/06/54/681160654.db2.gz BMMFJEZQSLPXQC-ZYHUDNBSSA-N 1 0 367.906 2.411 20 30 FEEDRO C[N@@H+](Cc1cccc(NS(C)(=O)=O)c1)C[C@H](O)c1cccc(C#N)c1 ZINC000846008013 681172724 /nfs/dbraw/zinc/17/27/24/681172724.db2.gz SEDSEQDVUOKTKY-SFHVURJKSA-N 1 0 359.451 2.095 20 30 FEEDRO CC(C)(C)OC[C@H]1CCCN1CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000932166825 681187286 /nfs/dbraw/zinc/18/72/86/681187286.db2.gz BCPGWWDRLJYEMV-OAHLLOKOSA-N 1 0 351.472 2.006 20 30 FEEDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(c2ccc(S(N)(=O)=O)cc2C#N)C1 ZINC000774519545 681198173 /nfs/dbraw/zinc/19/81/73/681198173.db2.gz RVHRPOTXHNNCTH-LZWOXQAQSA-N 1 0 362.499 2.047 20 30 FEEDRO C#CCC1([NH2+]CC(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)CCC1 ZINC000933300868 681390746 /nfs/dbraw/zinc/39/07/46/681390746.db2.gz LZURLEXUMSRNRT-UHFFFAOYSA-N 1 0 356.394 2.157 20 30 FEEDRO C=CC1(CC(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)CN(C(=O)OC(C)(C)C)C1 ZINC000933492776 681420752 /nfs/dbraw/zinc/42/07/52/681420752.db2.gz VLOIVMJWJNQXTB-CABCVRRESA-N 1 0 351.491 2.399 20 30 FEEDRO C#CC[N@H+]1CCC[C@@H]1COC(=O)C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000777312582 681481477 /nfs/dbraw/zinc/48/14/77/681481477.db2.gz YUANKYUFQZPXDL-JKSUJKDBSA-N 1 0 350.459 2.417 20 30 FEEDRO N#Cc1ccc(CN2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)c(Br)c1 ZINC000934263044 681538307 /nfs/dbraw/zinc/53/83/07/681538307.db2.gz ARBLDAYGQVMBAN-DLBZAZTESA-N 1 0 364.287 2.352 20 30 FEEDRO C#CCOc1cccc(Cl)c1C[NH2+]C[C@@H]1CCC[C@H]1NS(C)(=O)=O ZINC000778176293 681582952 /nfs/dbraw/zinc/58/29/52/681582952.db2.gz HVCAYRLCBFLXJV-XJKSGUPXSA-N 1 0 370.902 2.160 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCOC2(CC[NH+](C(C)C)CC2)C1 ZINC000949207294 681624623 /nfs/dbraw/zinc/62/46/23/681624623.db2.gz JVCBJVIKSGQIMW-ROUUACIJSA-N 1 0 350.503 2.460 20 30 FEEDRO C=C(Cl)C(C)(C)C(=O)N1C[C@@H](C)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC000949361980 681634912 /nfs/dbraw/zinc/63/49/12/681634912.db2.gz PHRPMYBJTLPLJB-CZUORRHYSA-N 1 0 369.937 2.460 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCCC[C@@H]([C@@H]3CCOC3)C2)cc1 ZINC000934836979 681645799 /nfs/dbraw/zinc/64/57/99/681645799.db2.gz GZHBEOGRZDNVSP-QZTJIDSGSA-N 1 0 362.495 2.471 20 30 FEEDRO CCOC(=O)N1CCC(NC(=[NH2+])NCc2ccc(C#N)c(Cl)c2)CC1 ZINC000848988859 681647372 /nfs/dbraw/zinc/64/73/72/681647372.db2.gz JFXITTMUAYRRNQ-UHFFFAOYSA-N 1 0 363.849 2.447 20 30 FEEDRO C=C(C)CNC(=[NH2+])NC[C@H](CO)Cc1ccc(F)c(Br)c1 ZINC000849117001 681657973 /nfs/dbraw/zinc/65/79/73/681657973.db2.gz PFFGGDSRGDWNCH-GFCCVEGCSA-N 1 0 358.255 2.429 20 30 FEEDRO COc1ccc(Br)cc1C[C@H](CO)C[NH+]=C(N(C)C)N(C)C ZINC000849116119 681658134 /nfs/dbraw/zinc/65/81/34/681658134.db2.gz FVQYKVQHPJMYBY-LBPRGKRZSA-N 1 0 372.307 2.088 20 30 FEEDRO CN(C)[C@H](CNS(=O)(=O)Cc1csc(C#N)c1)c1cccc(F)c1 ZINC000913850715 685486605 /nfs/dbraw/zinc/48/66/05/685486605.db2.gz PPIMSARNQYXGMO-MRXNPFEDSA-N 1 0 367.471 2.481 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(C[N@H+](CC)C[C@H]2CCOC2)CC1 ZINC000957755553 681922458 /nfs/dbraw/zinc/92/24/58/681922458.db2.gz IHPUHCBWVOHZKC-QRVBRYPASA-N 1 0 350.503 2.175 20 30 FEEDRO C[NH+]1CCC(N(C[C@H](O)CC(C)(C)C)S(=O)(=O)CC(C)(C)C#N)CC1 ZINC000915221595 685513339 /nfs/dbraw/zinc/51/33/39/685513339.db2.gz RWBBGXJIVRNWIE-MRXNPFEDSA-N 1 0 373.563 2.059 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC3CCC(F)(F)CC3)C[C@H]21 ZINC000961813634 682100060 /nfs/dbraw/zinc/10/00/60/682100060.db2.gz JIVUCOOYKFZAFB-NRKLIOEPSA-N 1 0 354.441 2.449 20 30 FEEDRO C=C(Br)CNC(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(OC)cc1 ZINC000851655942 682102100 /nfs/dbraw/zinc/10/21/00/682102100.db2.gz DEEBWBPITPYCOU-GJZGRUSLSA-N 1 0 368.275 2.349 20 30 FEEDRO COC(=O)C1(C#N)CC[NH+](CC[C@H]2Sc3ccccc3NC2=O)CC1 ZINC000852136465 682225711 /nfs/dbraw/zinc/22/57/11/682225711.db2.gz MGJADJCVBWZSTE-OAHLLOKOSA-N 1 0 359.451 2.268 20 30 FEEDRO CC[N@H+](C)Cc1cccc(CNc2cccc(S(N)(=O)=O)c2C#N)c1 ZINC000784574367 682238561 /nfs/dbraw/zinc/23/85/61/682238561.db2.gz OZFRCZGSQXPBRS-UHFFFAOYSA-N 1 0 358.467 2.269 20 30 FEEDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)N2CCN(c3ccsc3C#N)CC2)C1 ZINC000852223374 682242452 /nfs/dbraw/zinc/24/24/52/682242452.db2.gz KPNNSNDEPYEEDU-GJZGRUSLSA-N 1 0 361.515 2.324 20 30 FEEDRO C=CCN1C(=S)N=NC1c1sc(NC(=O)C[NH2+]C(C)C)nc1C ZINC000852784474 682342614 /nfs/dbraw/zinc/34/26/14/682342614.db2.gz MMUXTBZJSJQVNX-UHFFFAOYSA-N 1 0 352.489 2.121 20 30 FEEDRO CN(CCOc1ccc(Br)cc1)C(=O)C#CC1CC[NH2+]CC1 ZINC000852802755 682344846 /nfs/dbraw/zinc/34/48/46/682344846.db2.gz SVVRDBFCUVMTGY-UHFFFAOYSA-N 1 0 365.271 2.289 20 30 FEEDRO CN1CC[C@@H](NC(=O)C#CC2CC[NH2+]CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000852885885 682353517 /nfs/dbraw/zinc/35/35/17/682353517.db2.gz DNPJFJDQYDVEBI-MJGOQNOKSA-N 1 0 363.864 2.344 20 30 FEEDRO CC(C)[C@H]([NH2+]C[C@H](O)CN(C)CCC#N)[C@@H](O)c1ccc(Cl)cc1 ZINC000853126637 682379372 /nfs/dbraw/zinc/37/93/72/682379372.db2.gz PAHHEKMKXIONAR-BZSNNMDCSA-N 1 0 353.894 2.194 20 30 FEEDRO C#C[C@H](CCC)NC(=O)C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000792449240 682811274 /nfs/dbraw/zinc/81/12/74/682811274.db2.gz JWLYJCIBFPSTTD-MRXNPFEDSA-N 1 0 359.495 2.092 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)OCc2cc(OC)ncc2Br)CC1 ZINC000856929405 682828344 /nfs/dbraw/zinc/82/83/44/682828344.db2.gz GKLDLSBBLWLAMW-UHFFFAOYSA-N 1 0 367.243 2.241 20 30 FEEDRO C[NH+](C)CCCNC(=S)NN=C(C[C@@H]1CCOC1)c1ccc(F)cc1 ZINC000793014096 682857519 /nfs/dbraw/zinc/85/75/19/682857519.db2.gz WXQGCKDUUKLFPP-AWEZNQCLSA-N 1 0 366.506 2.372 20 30 FEEDRO C=CCn1c(CC[NH+]2CCCCC2)nn(CN2CCO[C@@H]3C[C@@H]32)c1=S ZINC000793609300 682899548 /nfs/dbraw/zinc/89/95/48/682899548.db2.gz CJBYQVDCGUISAM-JKSUJKDBSA-N 1 0 363.531 2.059 20 30 FEEDRO C[C@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1ccc(Br)cn1 ZINC000794808881 682997597 /nfs/dbraw/zinc/99/75/97/682997597.db2.gz CVMQKRVJCGQNND-PQJBRBTKSA-N 1 0 365.231 2.021 20 30 FEEDRO C[C@@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1ccc(Br)cn1 ZINC000794808880 682997602 /nfs/dbraw/zinc/99/76/02/682997602.db2.gz CVMQKRVJCGQNND-KDGRRTAISA-N 1 0 365.231 2.021 20 30 FEEDRO C#CCOc1ccc(Br)cc1C[NH2+]C[C@H](CO)[C@@H]1CCOC1 ZINC000795581448 683069524 /nfs/dbraw/zinc/06/95/24/683069524.db2.gz FDNDXJIRURVYQL-UKRRQHHQSA-N 1 0 368.271 2.196 20 30 FEEDRO C=CCS(=O)(=O)CC[NH2+][C@@H]1C[C@H]2CC[C@@H]([C@@H]1C)N2C(=O)OC(C)(C)C ZINC000926127302 683080002 /nfs/dbraw/zinc/08/00/02/683080002.db2.gz WLBWAXIBPLOMIM-FPCVCCKLSA-N 1 0 372.531 2.353 20 30 FEEDRO C[C@@H](CC(C)(C)C#N)[NH2+]CCNC(=O)c1ccc(Br)cn1 ZINC000926683149 683161618 /nfs/dbraw/zinc/16/16/18/683161618.db2.gz LILRDXAYZDDLAZ-NSHDSACASA-N 1 0 353.264 2.492 20 30 FEEDRO C=CCOCCC[NH2+][C@H]1[C@@H]2COC[C@H]1C[C@H](NC(=O)OC(C)(C)C)C2 ZINC000926703627 683163761 /nfs/dbraw/zinc/16/37/61/683163761.db2.gz LZSXBOVUVNCUDZ-ZYGGUILKSA-N 1 0 354.491 2.487 20 30 FEEDRO CCOC(=O)C(F)(F)[C@H]1CC[C@@H]([NH2+]CCNc2ccc(C#N)cn2)C1 ZINC000927164270 683213599 /nfs/dbraw/zinc/21/35/99/683213599.db2.gz OGSYXLLMRSLGQH-UONOGXRCSA-N 1 0 352.385 2.322 20 30 FEEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CC[C@@H](CC[NH3+])C1 ZINC000927886092 683333599 /nfs/dbraw/zinc/33/35/99/683333599.db2.gz KYJYJUDIEDHDIM-ZIAGYGMSSA-N 1 0 360.483 2.074 20 30 FEEDRO C=CCN1CC[C@H]([N@H+](CCC)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1=O ZINC000799119379 683423787 /nfs/dbraw/zinc/42/37/87/683423787.db2.gz CVHWFSXXOSAHSW-CVEARBPZSA-N 1 0 351.491 2.495 20 30 FEEDRO C=CCN1CC[C@H]([NH+]2CCC([C@@H](C)NC(=O)OC(C)(C)C)CC2)C1=O ZINC000799121614 683424187 /nfs/dbraw/zinc/42/41/87/683424187.db2.gz HXMNNSXDCBTFMH-ZBFHGGJFSA-N 1 0 351.491 2.399 20 30 FEEDRO C=CCCC[C@H](NC(=O)C1CC[NH+]([C@H]2CCSC2)CC1)C(=O)OC ZINC000928318829 683434008 /nfs/dbraw/zinc/43/40/08/683434008.db2.gz FMGPCQWOKBVXNU-HOTGVXAUSA-N 1 0 354.516 2.218 20 30 FEEDRO C=CCCC[C@H](NC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1)C(=O)OC ZINC000928318827 683434250 /nfs/dbraw/zinc/43/42/50/683434250.db2.gz FMGPCQWOKBVXNU-CVEARBPZSA-N 1 0 354.516 2.218 20 30 FEEDRO N#Cc1ccc(N2CCC([NH2+]Cc3cc(C(F)(F)F)n[nH]3)CC2)nc1 ZINC000799337428 683446931 /nfs/dbraw/zinc/44/69/31/683446931.db2.gz HLADNXNASNLKSK-UHFFFAOYSA-N 1 0 350.348 2.454 20 30 FEEDRO Cc1ccc(C#N)cc1S(=O)(=O)N[C@@H](CC[NH+](C)C)c1cccnc1 ZINC000921481196 683481827 /nfs/dbraw/zinc/48/18/27/683481827.db2.gz DIVGESLNLIJJMV-KRWDZBQOSA-N 1 0 358.467 2.233 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)[C@@H](CC(C)C)NC(=O)OC(C)(C)C)CC1 ZINC000928659668 683482859 /nfs/dbraw/zinc/48/28/59/683482859.db2.gz XAIMWKVRGXIBIN-MRXNPFEDSA-N 1 0 351.491 2.140 20 30 FEEDRO C#C[C@H]([NH2+]C[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C)C1CCOCC1 ZINC000862419920 683589010 /nfs/dbraw/zinc/58/90/10/683589010.db2.gz UOCWCVFHTRMGPV-CVEARBPZSA-N 1 0 352.475 2.376 20 30 FEEDRO N#Cc1ccc(Br)c(C[NH2+]CC2CCS(=O)(=O)CC2)c1 ZINC000921939014 683620815 /nfs/dbraw/zinc/62/08/15/683620815.db2.gz RYAOLQUSRQJVIM-UHFFFAOYSA-N 1 0 357.273 2.235 20 30 FEEDRO C=CC[C@@H](CO)[NH2+][C@H]1CCOC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000921993697 683633173 /nfs/dbraw/zinc/63/31/73/683633173.db2.gz JMZXWPSQQYLZAB-HOTGVXAUSA-N 1 0 354.491 2.462 20 30 FEEDRO C#CCOc1ccc(Br)cc1C[NH2+]CC[C@@H]1CC(=O)N(C)C1 ZINC000922486131 683732781 /nfs/dbraw/zinc/73/27/81/683732781.db2.gz OSJYHZGBXONWNU-CYBMUJFWSA-N 1 0 365.271 2.419 20 30 FEEDRO C#CC[C@@H](CCOC)[NH2+]C[C@H](O)COc1cccc(Br)c1 ZINC000863589639 683746744 /nfs/dbraw/zinc/74/67/44/683746744.db2.gz SZOLEZZLOYTGEM-GJZGRUSLSA-N 1 0 356.260 2.207 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)Nc2ccc(Br)nc2C)CC1 ZINC000930688506 683772061 /nfs/dbraw/zinc/77/20/61/683772061.db2.gz YQDFJLDHXWDGKU-UHFFFAOYSA-N 1 0 351.248 2.372 20 30 FEEDRO C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000864940456 683911704 /nfs/dbraw/zinc/91/17/04/683911704.db2.gz UOJJPXOXHXFZIL-ZIAGYGMSSA-N 1 0 359.898 2.479 20 30 FEEDRO C=C(Cl)C[C@H]1NC(=O)N(CC2([NH+]3CCSCC3)CCCC2)C1=O ZINC000865299806 683963992 /nfs/dbraw/zinc/96/39/92/683963992.db2.gz QRNWOWUHWOJBSA-CYBMUJFWSA-N 1 0 357.907 2.411 20 30 FEEDRO C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000865608557 684004687 /nfs/dbraw/zinc/00/46/87/684004687.db2.gz KXMICNAUXVQVTH-KBPBESRZSA-N 1 0 359.898 2.480 20 30 FEEDRO C=CCOc1c(Br)cc(C[NH2+]C[C@H](O)[C@@H](C)O)cc1OCC ZINC000865741817 684021764 /nfs/dbraw/zinc/02/17/64/684021764.db2.gz SUDIRVBANHSZPU-RISCZKNCSA-N 1 0 374.275 2.244 20 30 FEEDRO C[NH+]1CCC([C@@H]2CCN(S(=O)(=O)c3cc(F)cc(C#N)c3)C2)CC1 ZINC000867011995 684195762 /nfs/dbraw/zinc/19/57/62/684195762.db2.gz HTAITMPIWZFGCP-OAHLLOKOSA-N 1 0 351.447 2.050 20 30 FEEDRO C#CC[C@@H](CO)NC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000923449157 684282398 /nfs/dbraw/zinc/28/23/98/684282398.db2.gz KNUJAIADIREVTQ-SWLSCSKDSA-N 1 0 358.269 2.280 20 30 FEEDRO CCOC(=O)c1sc(CC2CC[NH+](C[C@H](O)CC#N)CC2)nc1C ZINC000931684194 684328406 /nfs/dbraw/zinc/32/84/06/684328406.db2.gz PDPRXVKAFCBYID-CQSZACIVSA-N 1 0 351.472 2.157 20 30 FEEDRO C[NH+]1CCC2(CCN(S(=O)(=O)Cc3ccc(F)cc3C#N)CC2)CC1 ZINC000867618824 684333294 /nfs/dbraw/zinc/33/32/94/684333294.db2.gz MRUSFVOSNLENBS-UHFFFAOYSA-N 1 0 365.474 2.335 20 30 FEEDRO Cc1cccc(S(=O)(=O)N[C@H]2C[C@@](C[NH3+])(c3ccccc3)C2)c1C#N ZINC000923739452 684343642 /nfs/dbraw/zinc/34/36/42/684343642.db2.gz CHXIKSOBLKOYSA-UWUNEBHHSA-N 1 0 355.463 2.204 20 30 FEEDRO N#Cc1cccc([C@@H](NC(=O)N[C@@H]2C[NH2+]CCC2(F)F)C(F)(F)F)c1 ZINC000868211299 684465165 /nfs/dbraw/zinc/46/51/65/684465165.db2.gz UDEIEFBIYBJQSU-VXGBXAGGSA-N 1 0 362.302 2.458 20 30 FEEDRO C#CCSCC[NH2+][C@H]1[C@@H]2COC[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C2 ZINC000925455849 684563805 /nfs/dbraw/zinc/56/38/05/684563805.db2.gz RQHGUNRQUMZDOW-LDKKBFSKSA-N 1 0 354.516 2.261 20 30 FEEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)c1ccc(OC(F)(F)F)cc1C(F)(F)F ZINC000870941412 684773601 /nfs/dbraw/zinc/77/36/01/684773601.db2.gz UXMDNSNLJUAQNX-RDDDGLTNSA-N 1 0 367.249 2.445 20 30 FEEDRO Cc1ccc(S(=O)(=O)N(CC[NH+](C)C)Cc2ccccn2)c(C#N)c1 ZINC000872447907 684951084 /nfs/dbraw/zinc/95/10/84/684951084.db2.gz ZFAIVKIQGHXDFW-UHFFFAOYSA-N 1 0 358.467 2.014 20 30 FEEDRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000872663889 685000462 /nfs/dbraw/zinc/00/04/62/685000462.db2.gz PLMNRBCDSCAULU-GJZGRUSLSA-N 1 0 373.400 2.434 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000911515207 685220373 /nfs/dbraw/zinc/22/03/73/685220373.db2.gz AZQLGXPUGVLQQR-IAGOWNOFSA-N 1 0 355.463 2.004 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1nc(C2CCCCC2)cs1 ZINC000873895725 685241516 /nfs/dbraw/zinc/24/15/16/685241516.db2.gz BCJFRKYASXKHOM-UHFFFAOYSA-N 1 0 362.499 2.201 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NC1CCN(C(=O)Nc2ccccc2)CC1 ZINC000876573700 686222309 /nfs/dbraw/zinc/22/23/09/686222309.db2.gz ZPHCKKBEDGPHRF-HNNXBMFYSA-N 1 0 350.850 2.269 20 30 FEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@H](CC)c1ccccc1OCC(=O)N(C)C ZINC000876592522 686225897 /nfs/dbraw/zinc/22/58/97/686225897.db2.gz SVPGIUIVBBNSOJ-HUUCEWRRSA-N 1 0 367.877 2.191 20 30 FEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000876620637 686229610 /nfs/dbraw/zinc/22/96/10/686229610.db2.gz NYWJYPTUFLRXDT-WCQYABFASA-N 1 0 366.767 2.031 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N1CCN(C(=O)Cc2ccccc2Cl)CC1 ZINC000876624345 686231443 /nfs/dbraw/zinc/23/14/43/686231443.db2.gz LSUURSLRLJFYIM-HNNXBMFYSA-N 1 0 370.280 2.023 20 30 FEEDRO N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N1CCO[C@@H](c2cccs2)C1 ZINC000876627705 686231850 /nfs/dbraw/zinc/23/18/50/686231850.db2.gz IWMXEFMFGXNYKN-SJLPKXTDSA-N 1 0 353.447 2.407 20 30 FEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC(NC(=O)c2ccc(C)s2)CC1 ZINC000876631507 686232494 /nfs/dbraw/zinc/23/24/94/686232494.db2.gz SYLVZEUINWFSET-CYBMUJFWSA-N 1 0 355.891 2.247 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC(NC(=O)c2ccc(C)s2)CC1 ZINC000876631508 686232751 /nfs/dbraw/zinc/23/27/51/686232751.db2.gz SYLVZEUINWFSET-ZDUSSCGKSA-N 1 0 355.891 2.247 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[C@@H](C(=O)N(CC)CC(F)(F)F)C1 ZINC000876686317 686243564 /nfs/dbraw/zinc/24/35/64/686243564.db2.gz UXXIRZUIKBCOSI-NEPJUHHUSA-N 1 0 369.815 2.106 20 30 FEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@H]1CCN(c2ccccc2OC(F)F)C1 ZINC000876757293 686261488 /nfs/dbraw/zinc/26/14/88/686261488.db2.gz BSJGRMDVEUBXLE-NWDGAFQWSA-N 1 0 359.804 2.453 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H]1CN(c2ccc(Cl)cc2)CCO1 ZINC000877013119 686309743 /nfs/dbraw/zinc/30/97/43/686309743.db2.gz KHLXZZIOXDICIB-CABCVRRESA-N 1 0 358.269 2.131 20 30 FEEDRO CN(C)c1ccc(C#N)cc1C[N@@H+]1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC000877436479 686376469 /nfs/dbraw/zinc/37/64/69/686376469.db2.gz TVNQYPWGCSLYBN-CYBMUJFWSA-N 1 0 354.376 2.125 20 30 FEEDRO CC(C)(C)OC(=O)N(CCO)C1CC[NH+](CCCSCC#N)CC1 ZINC000879229278 686775972 /nfs/dbraw/zinc/77/59/72/686775972.db2.gz WXPLNBPZQNALEC-UHFFFAOYSA-N 1 0 357.520 2.327 20 30 FEEDRO CCOC(=O)[C@@H]1C[N@H+](CCC(=O)Nc2sccc2C#N)CCC1(F)F ZINC000879372140 686808008 /nfs/dbraw/zinc/80/80/08/686808008.db2.gz XWDJSKOQCRIYLX-LBPRGKRZSA-N 1 0 371.409 2.469 20 30 FEEDRO C[C@H]([NH2+]CC(=O)N(CCC#N)CCC#N)c1ccc(C(F)(F)F)nc1 ZINC000880101285 686998606 /nfs/dbraw/zinc/99/86/06/686998606.db2.gz DZNUSTFVGBBZOP-LBPRGKRZSA-N 1 0 353.348 2.407 20 30 FEEDRO CCC[NH+]1CCN(C(=O)Nc2ccc(Br)c(C#N)n2)CC1 ZINC000883077433 687557858 /nfs/dbraw/zinc/55/78/58/687557858.db2.gz JYJUMYLLKJJEHN-UHFFFAOYSA-N 1 0 352.236 2.275 20 30 FEEDRO C[C@H](NC(=O)Nc1ccc(Br)c(C#N)n1)C1=CC[N@H+](C)CC1 ZINC000883101683 687564954 /nfs/dbraw/zinc/56/49/54/687564954.db2.gz QNKSJZGEISEMBF-JTQLQIEISA-N 1 0 364.247 2.488 20 30 FEEDRO C[C@H](Cc1nc2ccccc2s1)NC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884108814 687791201 /nfs/dbraw/zinc/79/12/01/687791201.db2.gz MTIFVUQOPQNEHT-GWMLXNDSSA-N 1 0 354.479 2.483 20 30 FEEDRO N#C[C@H]1C[NH2+]CC12CC(C(=O)N[C@H](c1nccs1)c1ccccc1)C2 ZINC000884110264 687791671 /nfs/dbraw/zinc/79/16/71/687791671.db2.gz DSBFRSXTWRLIDN-IOSXPMGOSA-N 1 0 352.463 2.488 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1C(F)(F)F ZINC000884951629 687972517 /nfs/dbraw/zinc/97/25/17/687972517.db2.gz GUZQBHUWZDYTJA-OLZOCXBDSA-N 1 0 373.400 2.482 20 30 FEEDRO C[C@H]([NH2+]C[C@@H](O)CC1(C#N)CCC1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000886109882 688204336 /nfs/dbraw/zinc/20/43/36/688204336.db2.gz UHRFZULJCIDMJA-HOCLYGCPSA-N 1 0 365.499 2.032 20 30 FEEDRO C#CCN(C(=O)[C@H](C)[C@H](C)NC(=O)OC(C)(C)C)C1CC[NH+](C)CC1 ZINC000886577373 688278751 /nfs/dbraw/zinc/27/87/51/688278751.db2.gz GHORZLAUTREITB-CABCVRRESA-N 1 0 351.491 2.092 20 30 FEEDRO C=CCS(=O)(=O)CC[NH2+]C[C@@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC000893503542 689358530 /nfs/dbraw/zinc/35/85/30/689358530.db2.gz AXLWOAQSKUMWBN-QGZVFWFLSA-N 1 0 360.520 2.214 20 30 FEEDRO C#CCSCC(=O)N1CC[C@@]2(C1)CN(Cc1ccccc1)C[C@@H](C)O2 ZINC000893921131 689429746 /nfs/dbraw/zinc/42/97/46/689429746.db2.gz ICERLCPNGMWAQF-XLIONFOSSA-N 1 0 358.507 2.245 20 30 FEEDRO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@H]1CCCN(O)C1=O ZINC000895162753 689669700 /nfs/dbraw/zinc/66/97/00/689669700.db2.gz NLXNLGUSLVZSGW-GWCFXTLKSA-N 1 0 370.247 2.136 20 30 FEEDRO CC1([NH+]2CCCC2)CCC(Nc2ccc(S(N)(=O)=O)cc2C#N)CC1 ZINC000895527803 689730283 /nfs/dbraw/zinc/73/02/83/689730283.db2.gz HHQMBGMJBKKBET-UHFFFAOYSA-N 1 0 362.499 2.415 20 30 FEEDRO C=CCOc1c(Cl)cc(C[NH2+]C2(C(=O)NC)CCOCC2)cc1OC ZINC000895885079 689788690 /nfs/dbraw/zinc/78/86/90/689788690.db2.gz RMYHXDVAAFNUCL-UHFFFAOYSA-N 1 0 368.861 2.298 20 30 FEEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]CC1(S(=O)(=O)NC(C)(C)C)CCC1 ZINC000896282241 689848880 /nfs/dbraw/zinc/84/88/80/689848880.db2.gz JEVPFTOFPUWRHV-HNNXBMFYSA-N 1 0 371.547 2.316 20 30 FEEDRO N#Cc1cccc(Br)c1N1CC[C@H]2[C@@H]1CCCN2CCO ZINC000897220110 689990258 /nfs/dbraw/zinc/99/02/58/689990258.db2.gz SNYHYWVVYBKBBJ-GJZGRUSLSA-N 1 0 350.260 2.356 20 30 FEEDRO C[C@H](C[NH2+]CCNc1ccc(C#N)cn1)c1ccc(S(C)(=O)=O)cc1 ZINC000897395745 690016238 /nfs/dbraw/zinc/01/62/38/690016238.db2.gz BOUDNHPTEFOXGV-CQSZACIVSA-N 1 0 358.467 2.162 20 30 FEEDRO COCCC[NH+]1CCC(NC(=O)C(F)(F)c2ccccc2C#N)CC1 ZINC000900518313 690527055 /nfs/dbraw/zinc/52/70/55/690527055.db2.gz OXRVSMUSAISHSZ-UHFFFAOYSA-N 1 0 351.397 2.267 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000901344259 690638254 /nfs/dbraw/zinc/63/82/54/690638254.db2.gz ROFXIPXAOFCREJ-OAHLLOKOSA-N 1 0 353.825 2.209 20 30 FEEDRO CC[C@H]([NH2+]C[C@H](O)CS(=O)(=O)c1cccs1)c1cccc(C#N)c1 ZINC000902886656 690817089 /nfs/dbraw/zinc/81/70/89/690817089.db2.gz QSJBGLUFXXIONG-HOTGVXAUSA-N 1 0 364.492 2.495 20 30 FEEDRO C[C@H](CCNS(=O)(=O)c1ccccc1)[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000903230504 690871419 /nfs/dbraw/zinc/87/14/19/690871419.db2.gz DPGPTIGBUPMJKF-CABCVRRESA-N 1 0 358.467 2.361 20 30 FEEDRO C[C@H]([NH2+]C[C@H]1CCCC[C@H]1NS(C)(=O)=O)c1ccc(OCC#N)cc1 ZINC000903233608 690872798 /nfs/dbraw/zinc/87/27/98/690872798.db2.gz JDDFADVQFHRKIZ-YXJHDRRASA-N 1 0 365.499 2.348 20 30 FEEDRO C[C@H]([NH2+]C[C@@H]1CCCC[C@H]1NS(C)(=O)=O)c1ccc(OCC#N)cc1 ZINC000903233607 690872910 /nfs/dbraw/zinc/87/29/10/690872910.db2.gz JDDFADVQFHRKIZ-QILLFSRXSA-N 1 0 365.499 2.348 20 30 FEEDRO N#Cc1sccc1S(=O)(=O)N1C[C@@H](C[NH3+])Cc2cc(F)ccc21 ZINC000903520827 690909409 /nfs/dbraw/zinc/90/94/09/690909409.db2.gz ZPELMLDSESNYBU-SNVBAGLBSA-N 1 0 351.428 2.085 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2CCC(C[NH3+])(c3ccccc3)CC2)cc1 ZINC000903531521 690913714 /nfs/dbraw/zinc/91/37/14/690913714.db2.gz QQYZFGCVAFRHJF-UHFFFAOYSA-N 1 0 355.463 2.239 20 30 FEEDRO N#CCCc1ccc(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@H]([NH3+])C2)cc1 ZINC000903581694 690929647 /nfs/dbraw/zinc/92/96/47/690929647.db2.gz SQHGIVALLNAKTA-ZIAGYGMSSA-N 1 0 361.389 2.043 20 30 FEEDRO C[C@@](O)(C[NH2+]C[C@H](O)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F ZINC000905447557 691119817 /nfs/dbraw/zinc/11/98/17/691119817.db2.gz SLLQTBXAAYXHDF-CRCLSJGQSA-N 1 0 355.172 2.083 20 30 FEEDRO Cc1oc(-c2cccs2)nc1C=NNC(=S)NCCC[NH+](C)C ZINC000905449403 691120229 /nfs/dbraw/zinc/12/02/29/691120229.db2.gz VQZRPJDMTGMMBA-UHFFFAOYSA-N 1 0 351.501 2.461 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@H]2CCSC3(CCC3)C2)nc1 ZINC000905601252 691149464 /nfs/dbraw/zinc/14/94/64/691149464.db2.gz OMFGSILHSXUCIX-AWEZNQCLSA-N 1 0 351.497 2.135 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)N[C@H](C(=O)OCC)c1ccc(OC)c(F)c1 ZINC000907469733 691491416 /nfs/dbraw/zinc/49/14/16/691491416.db2.gz FTEQGNNJHHVSFW-INIZCTEOSA-N 1 0 352.406 2.063 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)NC[C@@H](CO)Cc1ccccc1Br ZINC000907739771 691551089 /nfs/dbraw/zinc/55/10/89/691551089.db2.gz WBTWRRLZDNSPSY-AWEZNQCLSA-N 1 0 369.303 2.224 20 30 FEEDRO C=C(C)Cn1c([C@@H](C)OCCOC)nnc1N1CC[N@H+](C)C(C)(C)C1 ZINC000909231572 691797860 /nfs/dbraw/zinc/79/78/60/691797860.db2.gz CYGSYVUCPDFXNV-OAHLLOKOSA-N 1 0 351.495 2.109 20 30 FEEDRO CCOC(=O)c1cc(C#N)c(Cl)nc1C(F)(F)N1CCC[C@H]2[NH2+]C[C@H]21 ZINC001164450504 718997591 /nfs/dbraw/zinc/99/75/91/718997591.db2.gz XLHZGOUENWRZGY-VXGBXAGGSA-N 1 0 370.787 2.269 20 30 FEEDRO N#Cc1cncc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)n1 ZINC001164695314 719888208 /nfs/dbraw/zinc/88/82/08/719888208.db2.gz NCCGHDMJZACLCS-UHFFFAOYSA-N 1 0 355.467 2.281 20 30 FEEDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncc(C)cc1C=NO)C2 ZINC001164818799 720150912 /nfs/dbraw/zinc/15/09/12/720150912.db2.gz UTNFGDJQVOMPGJ-AZUAARDMSA-N 1 0 358.486 2.383 20 30 FEEDRO N#Cc1nc(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)ccc1Cl ZINC001164733111 720552573 /nfs/dbraw/zinc/55/25/73/720552573.db2.gz JRFWDAZLUZSWQF-UHFFFAOYSA-N 1 0 356.861 2.462 20 30 FEEDRO CC(C)c1ccc(C#N)c(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164742265 720630517 /nfs/dbraw/zinc/63/05/17/720630517.db2.gz MJSRXIBFVYPXMV-IRXDYDNUSA-N 1 0 364.453 2.209 20 30 FEEDRO COCC[N@@H+]1CCO[C@H]2CN(c3nc(Cl)cc(C)c3C#N)CC[C@@H]2C1 ZINC001164853265 720835495 /nfs/dbraw/zinc/83/54/95/720835495.db2.gz NRBICQFHCSVNLF-ZBFHGGJFSA-N 1 0 364.877 2.089 20 30 FEEDRO N#Cc1cc(Cl)cc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164865714 721076323 /nfs/dbraw/zinc/07/63/23/721076323.db2.gz OUXJGDNWONJHOG-MSOLQXFVSA-N 1 0 369.856 2.481 20 30 FEEDRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ccc5[nH]c(C#N)cc5n4)C[C@@H]3C2)cn1 ZINC001164771482 721188239 /nfs/dbraw/zinc/18/82/39/721188239.db2.gz QLHHQIYLPBVFJL-CVEARBPZSA-N 1 0 361.453 2.126 20 30 FEEDRO Cc1ccc(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)nc1C#N ZINC001164883563 721408050 /nfs/dbraw/zinc/40/80/50/721408050.db2.gz AWIJFFUCFUJLJQ-GHTZIAJQSA-N 1 0 369.513 2.027 20 30 FEEDRO COc1cc(C#N)nc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c1 ZINC001164906323 721537215 /nfs/dbraw/zinc/53/72/15/721537215.db2.gz JSBLUBUGUMJVBG-QFBILLFUSA-N 1 0 368.412 2.443 20 30 FEEDRO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2C(F)(F)c1nc(Cl)ccc1C#N ZINC001164928285 721865623 /nfs/dbraw/zinc/86/56/23/721865623.db2.gz YBIQKVKQBGVZQJ-KBPBESRZSA-N 1 0 369.847 2.366 20 30 FEEDRO N#Cc1cnc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c(F)c1 ZINC001164978922 722132630 /nfs/dbraw/zinc/13/26/30/722132630.db2.gz LAWOJQJAGMRFRW-HKUYNNGSSA-N 1 0 367.428 2.215 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)CNc1ccc(C#N)cn1 ZINC000497880948 883816488 /nfs/dbraw/zinc/81/64/88/883816488.db2.gz KZOHTLQKHOPYBC-UHFFFAOYSA-N 1 0 355.417 2.095 20 30 FEEDRO N#Cc1cccc(NC(=O)CC[NH+]2CCN(c3ccc(O)cc3)CC2)c1 ZINC000026160308 539779044 /nfs/dbraw/zinc/77/90/44/539779044.db2.gz YFPFVRGNFHDXBY-UHFFFAOYSA-N 1 0 350.422 2.415 20 30 FEEDRO CC[N@H+](CC(=O)N1CCN(c2oc(C)nc2C#N)CC1)C1CCCCC1 ZINC000029720259 539862160 /nfs/dbraw/zinc/86/21/60/539862160.db2.gz HJNZRVGPXUQJSP-UHFFFAOYSA-N 1 0 359.474 2.158 20 30 FEEDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C(=O)Nc2cccc(OCC#N)c2)C1 ZINC000041731491 540031015 /nfs/dbraw/zinc/03/10/15/540031015.db2.gz DBOIBHLQGYJYAF-HZPDHXFCSA-N 1 0 372.469 2.012 20 30 FEEDRO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1cccc(OCC#N)c1)c1cccs1 ZINC000048743868 540372495 /nfs/dbraw/zinc/37/24/95/540372495.db2.gz XDZMPSGZGRVEOL-OAHLLOKOSA-N 1 0 372.450 2.008 20 30 FEEDRO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCC[C@H](C(=O)Nc2ccccn2)C1 ZINC000054183103 540573940 /nfs/dbraw/zinc/57/39/40/540573940.db2.gz PGYDMDHKMBOURQ-SJORKVTESA-N 1 0 356.470 2.321 20 30 FEEDRO C[C@@H]1CCCCN1C(=O)CN1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000055171782 540632661 /nfs/dbraw/zinc/63/26/61/540632661.db2.gz NLFQJCHANMWGRQ-GOSISDBHSA-N 1 0 354.498 2.467 20 30 FEEDRO CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@@H](C)C1CCN(CC(F)(F)F)CC1 ZINC000550660202 674104535 /nfs/dbraw/zinc/10/45/35/674104535.db2.gz JVSHGCPHBAVVAA-XJKSGUPXSA-N 1 0 362.440 2.293 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N[C@H](c2nccn2C)c2ccccc2F)CC1 ZINC000057154072 540773412 /nfs/dbraw/zinc/77/34/12/540773412.db2.gz ZXSIPRBUBINVPB-SFHVURJKSA-N 1 0 354.429 2.110 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)NCc2cccc(NC(=O)C3CCC3)c2)CC1 ZINC000057169011 540775294 /nfs/dbraw/zinc/77/52/94/540775294.db2.gz ICNGZNZCQJJMKB-UHFFFAOYSA-N 1 0 353.466 2.387 20 30 FEEDRO Cc1ccc(C#N)cc1NC(=O)C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000057672367 540807081 /nfs/dbraw/zinc/80/70/81/540807081.db2.gz FLNYVFCLOSIORS-UHFFFAOYSA-N 1 0 354.454 2.282 20 30 FEEDRO N#Cc1ccccc1N1CCC[N@@H+](C[C@@H](O)COCc2ccco2)CC1 ZINC000058580496 540850086 /nfs/dbraw/zinc/85/00/86/540850086.db2.gz XWARBFOCHXKKIU-GOSISDBHSA-N 1 0 355.438 2.241 20 30 FEEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)CNC(=O)CC(C)(C)C ZINC000065930237 541272205 /nfs/dbraw/zinc/27/22/05/541272205.db2.gz LSNBUSSMCXIKBY-UHFFFAOYSA-N 1 0 358.486 2.001 20 30 FEEDRO CC(=O)c1cc(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)n(C)c1 ZINC000065930686 541272588 /nfs/dbraw/zinc/27/25/88/541272588.db2.gz GQYYEFCZLNSGKC-UHFFFAOYSA-N 1 0 352.438 2.303 20 30 FEEDRO C[C@@H](CNC(=O)c1ccc(-n2ncc(C#N)c2N)cc1)[N@@H+]1CCC[C@H](C)C1 ZINC000066240564 541294541 /nfs/dbraw/zinc/29/45/41/541294541.db2.gz FQAJMPQLRLYNFH-GJZGRUSLSA-N 1 0 366.469 2.176 20 30 FEEDRO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N1CC[NH+](CCc2cccs2)CC1 ZINC000066435085 541317347 /nfs/dbraw/zinc/31/73/47/541317347.db2.gz VDQXKIBEBUIYLK-QFBILLFUSA-N 1 0 362.543 2.351 20 30 FEEDRO CCCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000066473112 541323215 /nfs/dbraw/zinc/32/32/15/541323215.db2.gz HSSISJFZLHAEPW-UHOSZYNNSA-N 1 0 373.497 2.315 20 30 FEEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000067265302 541437196 /nfs/dbraw/zinc/43/71/96/541437196.db2.gz AGJLZCGITJBLCZ-UHFFFAOYSA-N 1 0 358.486 2.033 20 30 FEEDRO C=CCOc1cccc(NC(=O)C(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000067397559 541456664 /nfs/dbraw/zinc/45/66/64/541456664.db2.gz XHJAYNZGPCFRHK-HZPDHXFCSA-N 1 0 359.470 2.427 20 30 FEEDRO C[C@@H]1C[C@H](NC(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CC[N@@H+]1C ZINC000542960257 541508910 /nfs/dbraw/zinc/50/89/10/541508910.db2.gz VPSHLDPLGSQGSM-TZMCWYRMSA-N 1 0 356.405 2.487 20 30 FEEDRO COc1ccc(CNC(=O)C[NH2+]Cc2ccc(N(C)CCC#N)cc2)cc1 ZINC000068258129 541569419 /nfs/dbraw/zinc/56/94/19/541569419.db2.gz KPWZPCWAPLVLRV-UHFFFAOYSA-N 1 0 366.465 2.451 20 30 FEEDRO C[C@H](OC[C@H]1CCCCO1)C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000068309995 541575325 /nfs/dbraw/zinc/57/53/25/541575325.db2.gz NBACVUQRIWSKCG-FXAWDEMLSA-N 1 0 373.497 2.423 20 30 FEEDRO C[NH+]1CCC(NC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)CC1 ZINC000069383726 541681818 /nfs/dbraw/zinc/68/18/18/541681818.db2.gz OQAJRWPAZJJQAB-INIZCTEOSA-N 1 0 359.449 2.060 20 30 FEEDRO C[N@H+](CCCNS(=O)(=O)Cc1cccc(C#N)c1)Cc1ccccc1 ZINC000071891138 541775187 /nfs/dbraw/zinc/77/51/87/541775187.db2.gz HJNVTXIUKBCSBK-UHFFFAOYSA-N 1 0 357.479 2.500 20 30 FEEDRO Cc1nsc(N2CCC[N@H+](CCC(=O)Nc3ccc(C#N)cc3)CC2)n1 ZINC000072801049 541868543 /nfs/dbraw/zinc/86/85/43/541868543.db2.gz CPCQMCKGSGYZDQ-UHFFFAOYSA-N 1 0 370.482 2.259 20 30 FEEDRO Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N(C)CC[NH+]1CCCC1 ZINC000545190825 541897285 /nfs/dbraw/zinc/89/72/85/541897285.db2.gz QCMCQGJRKMRXDY-UHFFFAOYSA-N 1 0 353.430 2.007 20 30 FEEDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)NC2CCN(CC#N)CC2)C1 ZINC000073216274 541930624 /nfs/dbraw/zinc/93/06/24/541930624.db2.gz GSIDMAMBWKAUTA-ROUUACIJSA-N 1 0 361.534 2.270 20 30 FEEDRO C[NH+]1CCN(Cc2ccc(C(=O)NCc3cc(C#N)ccc3F)cc2)CC1 ZINC000075177551 542157846 /nfs/dbraw/zinc/15/78/46/542157846.db2.gz YPZHFPRVBMRMOW-UHFFFAOYSA-N 1 0 366.440 2.375 20 30 FEEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1CC[NH+](C(C)C)CC1 ZINC000075635573 542193986 /nfs/dbraw/zinc/19/39/86/542193986.db2.gz GTPVTLLUSGRMOK-KRWDZBQOSA-N 1 0 358.486 2.356 20 30 FEEDRO COC(=O)CC[N@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)C1CCOCC1 ZINC000076144458 542237205 /nfs/dbraw/zinc/23/72/05/542237205.db2.gz HJYRDRHFDRSHKW-UHFFFAOYSA-N 1 0 370.409 2.152 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(OC(C)C)cc2C)CC1 ZINC000076526419 542289037 /nfs/dbraw/zinc/28/90/37/542289037.db2.gz YIMXOHVCJXTJNW-UHFFFAOYSA-N 1 0 359.470 2.487 20 30 FEEDRO CC(=O)NCC1CC[NH+]([C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)CC1 ZINC000076997405 542340563 /nfs/dbraw/zinc/34/05/63/542340563.db2.gz WFXOFWVQVGSNPZ-KRWDZBQOSA-N 1 0 370.497 2.478 20 30 FEEDRO N#CCOc1cccc(NC(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)c1 ZINC000077273079 542360581 /nfs/dbraw/zinc/36/05/81/542360581.db2.gz PIFLEALOAWFGEE-OAHLLOKOSA-N 1 0 358.442 2.211 20 30 FEEDRO C[C@H](NC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc(C#N)cc1 ZINC000077348638 542371081 /nfs/dbraw/zinc/37/10/81/542371081.db2.gz WMFXPVBKEVONRZ-DOTOQJQBSA-N 1 0 356.470 2.419 20 30 FEEDRO N#Cc1ccc(C[N@@H+]2CCCN(c3cc(-n4ccnc4)ncn3)CC2)cc1 ZINC000077487020 542388219 /nfs/dbraw/zinc/38/82/19/542388219.db2.gz NKSXAQBBNCUALN-UHFFFAOYSA-N 1 0 359.437 2.246 20 30 FEEDRO C[C@H](C[NH+]1CCCCC1)NC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000079296182 542510994 /nfs/dbraw/zinc/51/09/94/542510994.db2.gz BQBOUVUWFRAOII-GOSISDBHSA-N 1 0 369.513 2.260 20 30 FEEDRO N#CCSc1cccc(C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000079545622 542526228 /nfs/dbraw/zinc/52/62/28/542526228.db2.gz VKZMTLLMORBQIK-MRXNPFEDSA-N 1 0 359.495 2.487 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)Cc2csc(NC(=O)C(C)(C)C)n2)CC1 ZINC000080079592 542562770 /nfs/dbraw/zinc/56/27/70/542562770.db2.gz DBXXIEPQGBRKQQ-UHFFFAOYSA-N 1 0 364.515 2.437 20 30 FEEDRO CC(C)[C@@](C)(C#N)NC(=O)CN(C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000081005999 542623026 /nfs/dbraw/zinc/62/30/26/542623026.db2.gz MVGAFLKHQQSYJJ-OAQYLSRUSA-N 1 0 371.529 2.075 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@](O)(C(F)(F)F)C1)C(C)C ZINC000081478407 542659250 /nfs/dbraw/zinc/65/92/50/542659250.db2.gz DPBHJHZCEDMXDL-GDBMZVCRSA-N 1 0 363.424 2.394 20 30 FEEDRO CN(C[C@H]1CC[N@H+](C)C1)S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000083537889 542698156 /nfs/dbraw/zinc/69/81/56/542698156.db2.gz UGJUZMVLVYMHIQ-NSHDSACASA-N 1 0 361.389 2.149 20 30 FEEDRO C[C@@H](Oc1ccc(C#N)cc1)C(=O)NCCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000083027314 542689678 /nfs/dbraw/zinc/68/96/78/542689678.db2.gz DFZSNYQDYHPGMN-BRWVUGGUSA-N 1 0 359.470 2.331 20 30 FEEDRO Cc1ccc(NC(=O)CCNC(=[NH2+])N[C@H]2CCOc3ccccc32)nc1 ZINC000083035013 542690107 /nfs/dbraw/zinc/69/01/07/542690107.db2.gz PCBKRRSUENFNOL-HNNXBMFYSA-N 1 0 353.426 2.147 20 30 FEEDRO C=CCNC(=O)c1ccc(NC[C@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)nc1 ZINC000089644437 542767443 /nfs/dbraw/zinc/76/74/43/542767443.db2.gz KDGYSLQFSOIUBP-MOPGFXCFSA-N 1 0 366.465 2.045 20 30 FEEDRO N#CCOc1cccc(CC(=O)NC2CC[NH+](Cc3ccccn3)CC2)c1 ZINC000089757489 542769634 /nfs/dbraw/zinc/76/96/34/542769634.db2.gz AIRCGQMTWUPKTG-UHFFFAOYSA-N 1 0 364.449 2.307 20 30 FEEDRO Cn1ccnc1[C@H](O)C1CC[NH+](CCC(=O)Nc2ccccc2C#N)CC1 ZINC000089926003 542773464 /nfs/dbraw/zinc/77/34/64/542773464.db2.gz SIDQKKNRKVRDTM-LJQANCHMSA-N 1 0 367.453 2.066 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)NC[C@@H](C)c2nc(-c3ccccc3)no2)CC1 ZINC000089953579 542776818 /nfs/dbraw/zinc/77/68/18/542776818.db2.gz OMAPKOSCRIOAHZ-OAHLLOKOSA-N 1 0 352.438 2.302 20 30 FEEDRO C=CCCOCC[NH2+]C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000090883583 542789265 /nfs/dbraw/zinc/78/92/65/542789265.db2.gz OGJSENPZEZSMER-UHFFFAOYSA-N 1 0 352.500 2.330 20 30 FEEDRO CN(C)C(NCc1ccccc1)=[NH+]C[C@H]1CCCN(c2ncccn2)C1 ZINC000093887662 542944294 /nfs/dbraw/zinc/94/42/94/542944294.db2.gz WTTKEUVTKQNOSL-GOSISDBHSA-N 1 0 352.486 2.400 20 30 FEEDRO C=CCOc1cccc(NC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)c1 ZINC000103236885 543098717 /nfs/dbraw/zinc/09/87/17/543098717.db2.gz POJTYZKRBWWAIR-UHFFFAOYSA-N 1 0 372.469 2.023 20 30 FEEDRO COc1cc[nH+]c(N2CCN(C(=O)[C@H](C)Oc3ccccc3C#N)CC2)c1 ZINC000104518668 543133352 /nfs/dbraw/zinc/13/33/52/543133352.db2.gz DIYCFPHJIBCRHX-HNNXBMFYSA-N 1 0 366.421 2.078 20 30 FEEDRO COc1cc[nH+]c(N2CCN(C(=O)CCc3ccc(C#N)cc3)CC2)c1 ZINC000104517593 543133416 /nfs/dbraw/zinc/13/34/16/543133416.db2.gz HARHENRQGRRIFX-UHFFFAOYSA-N 1 0 350.422 2.243 20 30 FEEDRO COC(=O)N(C)CCCC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000104221081 543126854 /nfs/dbraw/zinc/12/68/54/543126854.db2.gz NKJDILJNDYUNIH-UHFFFAOYSA-N 1 0 372.469 2.071 20 30 FEEDRO C[C@@H](CNC(=O)N1CCN(c2ccc(C#N)cc2F)CC1)[N@H+](C)C1CC1 ZINC000105264451 543167207 /nfs/dbraw/zinc/16/72/07/543167207.db2.gz WSKSPCTXTAJNIB-AWEZNQCLSA-N 1 0 359.449 2.012 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@H]2CC(=O)N(CCc3ccccc3)C2)CC1 ZINC000106037252 543186065 /nfs/dbraw/zinc/18/60/65/543186065.db2.gz AJEXAHVJQBAPQR-IBGZPJMESA-N 1 0 369.509 2.234 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)COc2ccc(N3CCCC3=O)cc2)CC1 ZINC000106038508 543186269 /nfs/dbraw/zinc/18/62/69/543186269.db2.gz QZUYVWREBANFKL-UHFFFAOYSA-N 1 0 371.481 2.349 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@@H](C(=O)NCCCC)C2)CC1 ZINC000106275638 543221784 /nfs/dbraw/zinc/22/17/84/543221784.db2.gz XQJSCUJSQDBXDJ-QGZVFWFLSA-N 1 0 364.534 2.365 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(F)c(F)c2F)CC1 ZINC000106349405 543224667 /nfs/dbraw/zinc/22/46/67/543224667.db2.gz SDSBVIMZLKXSRX-UHFFFAOYSA-N 1 0 355.360 2.199 20 30 FEEDRO CC(C)[C@@H](C(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)[NH+](C)C ZINC000106430119 543229865 /nfs/dbraw/zinc/22/98/65/543229865.db2.gz IWFFWCPAQUBDDH-INIZCTEOSA-N 1 0 371.441 2.041 20 30 FEEDRO C[C@@H](C(=O)Nc1ccccc1C#N)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000106868701 543251414 /nfs/dbraw/zinc/25/14/14/543251414.db2.gz HURUPXUTJXIERM-ZFWWWQNUSA-N 1 0 358.442 2.484 20 30 FEEDRO N#Cc1cc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)ccc1Cl ZINC000106963494 543258508 /nfs/dbraw/zinc/25/85/08/543258508.db2.gz QAQMPCMVRTXJGH-CQSZACIVSA-N 1 0 360.845 2.283 20 30 FEEDRO C#CCOc1cccc(NC(=O)C(=O)NCCC[N@H+]2CCCC[C@H]2C)c1 ZINC000108605202 543297164 /nfs/dbraw/zinc/29/71/64/543297164.db2.gz JAGZKGJJCQRVGS-MRXNPFEDSA-N 1 0 357.454 2.018 20 30 FEEDRO COc1ccc(C[C@@H]([NH2+]CC(=O)NCC#N)c2ccc(OC)cc2)cc1 ZINC000108851940 543305961 /nfs/dbraw/zinc/30/59/61/543305961.db2.gz OJJMGSHEYZTOIR-LJQANCHMSA-N 1 0 353.422 2.217 20 30 FEEDRO N#Cc1ccc(OCC(=O)NCC2([NH+]3CCCCC3)CCOCC2)cc1 ZINC000109982252 543345677 /nfs/dbraw/zinc/34/56/77/543345677.db2.gz FWLAWAFNAYFFIP-UHFFFAOYSA-N 1 0 357.454 2.088 20 30 FEEDRO CC[C@@H](C)[C@@H](C)[N@H+](CC(=O)N1CCN(c2oc(C)nc2C#N)CC1)C1CC1 ZINC000111226787 543386625 /nfs/dbraw/zinc/38/66/25/543386625.db2.gz LTUYIGSCOJAIOB-HUUCEWRRSA-N 1 0 373.501 2.402 20 30 FEEDRO C=CC1CC[NH+](CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)OC)CC1 ZINC000111256643 543389872 /nfs/dbraw/zinc/38/98/72/543389872.db2.gz BYBPVYZKYKUHFF-IBGZPJMESA-N 1 0 369.465 2.266 20 30 FEEDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCN(c2ccccc2C#N)CC1 ZINC000111511344 543405692 /nfs/dbraw/zinc/40/56/92/543405692.db2.gz COUAYALIUKGAHH-GOSISDBHSA-N 1 0 355.486 2.264 20 30 FEEDRO C[C@H](CNC(=O)C(=O)Nc1cccc(C#N)c1)[N@H+](C)Cc1ccccc1 ZINC000111910933 543424437 /nfs/dbraw/zinc/42/44/37/543424437.db2.gz ZRHHSVVKQXQPBH-OAHLLOKOSA-N 1 0 350.422 2.133 20 30 FEEDRO CC(C)(C)C(=O)NC[C@H]1CCC[N@H+](C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000112699605 543457811 /nfs/dbraw/zinc/45/78/11/543457811.db2.gz YNMKKMVGSXCYPG-MSOLQXFVSA-N 1 0 373.497 2.172 20 30 FEEDRO O=C(NCC[NH2+]Cc1ccccc1OC(F)(F)F)C1N=CC=CC1=O ZINC000113361029 543484325 /nfs/dbraw/zinc/48/43/25/543484325.db2.gz FJKAOBHCTGFQKC-PFONDFGASA-N 1 0 355.316 2.201 20 30 FEEDRO C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000114200766 543507424 /nfs/dbraw/zinc/50/74/24/543507424.db2.gz OYFCWRXVXJBZBP-MRXNPFEDSA-N 1 0 367.453 2.268 20 30 FEEDRO N#Cc1ccc(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)cc1 ZINC000114843292 543540117 /nfs/dbraw/zinc/54/01/17/543540117.db2.gz CMQAHNPWQCXLLW-IBGZPJMESA-N 1 0 362.433 2.278 20 30 FEEDRO N#Cc1cccc(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)c1 ZINC000114843135 543540142 /nfs/dbraw/zinc/54/01/42/543540142.db2.gz KUBOCVMAZMHMRA-IBGZPJMESA-N 1 0 362.433 2.278 20 30 FEEDRO COc1cc(C)c(Br)cc1C(=O)NC1(C#N)CC[NH+](C)CC1 ZINC000551989335 674179177 /nfs/dbraw/zinc/17/91/77/674179177.db2.gz SZAMARWLOVVTHL-UHFFFAOYSA-N 1 0 366.259 2.484 20 30 FEEDRO C#CCOc1cccc(NC(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)c1 ZINC000116589124 543611258 /nfs/dbraw/zinc/61/12/58/543611258.db2.gz FIOLWVLWQGFENQ-KRWDZBQOSA-N 1 0 359.470 2.120 20 30 FEEDRO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1cccc(C#N)c1)c1ccc(F)cc1 ZINC000118092487 543644809 /nfs/dbraw/zinc/64/48/09/543644809.db2.gz IVQNRQLHLHNHKT-KRWDZBQOSA-N 1 0 354.385 2.055 20 30 FEEDRO C=CCc1cc([N+](=O)[O-])ccc1OCC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000120899809 543685848 /nfs/dbraw/zinc/68/58/48/543685848.db2.gz STSKZMCKPLISTP-UHFFFAOYSA-N 1 0 359.426 2.445 20 30 FEEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000118897877 543661868 /nfs/dbraw/zinc/66/18/68/543661868.db2.gz SXPBGNGUNAHRCR-HUUCEWRRSA-N 1 0 374.510 2.335 20 30 FEEDRO C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)Nc3ccc(C(C)(C)C#N)cc3)CC[C@H]21 ZINC000120317983 543677884 /nfs/dbraw/zinc/67/78/84/543677884.db2.gz IVMOQYVBXKEIQU-MAUKXSAKSA-N 1 0 368.481 2.369 20 30 FEEDRO C=CCCOCCNC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1 ZINC000122475522 543707112 /nfs/dbraw/zinc/70/71/12/543707112.db2.gz ABUMIYBXJJKDEQ-HZPDHXFCSA-N 1 0 362.474 2.087 20 30 FEEDRO C=CCOc1cccc(NC(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000123296815 543753438 /nfs/dbraw/zinc/75/34/38/543753438.db2.gz UHRCMEPJJWEQJW-MRXNPFEDSA-N 1 0 357.454 2.134 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)Nc1ncc(C)s1)C(C)C ZINC000123359990 543757046 /nfs/dbraw/zinc/75/70/46/543757046.db2.gz YLAVSXIQMWPGSU-AWEZNQCLSA-N 1 0 350.488 2.205 20 30 FEEDRO COc1cc(OC)cc(OCC[NH2+]Cc2cnc3ccc(C#N)cn23)c1 ZINC000124536684 543828627 /nfs/dbraw/zinc/82/86/27/543828627.db2.gz CUEMCAVLICWUOS-UHFFFAOYSA-N 1 0 352.394 2.392 20 30 FEEDRO C=C(C)C[N@@H+](CC)[C@@H](C)C(=O)NCc1ccc(CN2CCOCC2)cc1 ZINC000125957036 543911392 /nfs/dbraw/zinc/91/13/92/543911392.db2.gz YKLLVTAYXQPFAX-SFHVURJKSA-N 1 0 359.514 2.422 20 30 FEEDRO C=C[C@H](CC(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccccc1 ZINC000125575968 543890081 /nfs/dbraw/zinc/89/00/81/543890081.db2.gz VFOQHZMTTYJBDS-IEBWSBKVSA-N 1 0 357.498 2.405 20 30 FEEDRO C=CC[C@@H](C)[C@H](C)[NH2+]Cc1ccccc1S(=O)(=O)N1CCN(C)CC1 ZINC000127777936 544013255 /nfs/dbraw/zinc/01/32/55/544013255.db2.gz UEFLGKSSYRJJKX-SJORKVTESA-N 1 0 365.543 2.313 20 30 FEEDRO CC[C@@H](CC#N)NC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000128221066 544039929 /nfs/dbraw/zinc/03/99/29/544039929.db2.gz SCMODJZVXYPOCB-LBPRGKRZSA-N 1 0 366.849 2.027 20 30 FEEDRO CCC[C@@H]1CN(C(=O)Cc2ccc(OCC#N)cc2)CC[N@@H+]1CCOC ZINC000128411917 544050732 /nfs/dbraw/zinc/05/07/32/544050732.db2.gz CHJYROCXLJXGAB-GOSISDBHSA-N 1 0 359.470 2.091 20 30 FEEDRO Cc1cccc(NC(=O)C(=O)NC[C@@H]2CCCC[N@H+]2CC(C)C)c1C#N ZINC000128526761 544057469 /nfs/dbraw/zinc/05/74/69/544057469.db2.gz OKOSDTIZNOGVTL-INIZCTEOSA-N 1 0 356.470 2.432 20 30 FEEDRO C=CCNC(=O)CN1CCC[C@@H](NC(=O)c2ccc3ccccc3c2)C1 ZINC000129644413 544121795 /nfs/dbraw/zinc/12/17/95/544121795.db2.gz YGFGDCDPTYJZJK-LJQANCHMSA-N 1 0 351.450 2.336 20 30 FEEDRO COc1cc(C#N)ccc1OCCN(CCS(C)(=O)=O)C(C)(C)C ZINC000131638093 544199054 /nfs/dbraw/zinc/19/90/54/544199054.db2.gz UGGXDBGSKRRCCK-UHFFFAOYSA-N 1 0 354.472 2.091 20 30 FEEDRO C=CCOc1cccc(NC(=O)C(=O)N2[C@@H]3CC[C@H]2C[N@H+](CC)CC3)c1 ZINC000133295558 544263729 /nfs/dbraw/zinc/26/37/29/544263729.db2.gz XJQVBEBODSXLLP-SJORKVTESA-N 1 0 357.454 2.275 20 30 FEEDRO COc1ccc(CNC(=[NH2+])NC[C@@](C)(O)c2ccc(F)cc2)cc1OC ZINC000134235538 544299588 /nfs/dbraw/zinc/29/95/88/544299588.db2.gz TYZJVEOMEWVHIZ-LJQANCHMSA-N 1 0 361.417 2.155 20 30 FEEDRO N#Cc1ccc(C[NH+]2CCC(N[C@@H](C(N)=O)c3ccc(F)cc3)CC2)cc1 ZINC000134870566 544324706 /nfs/dbraw/zinc/32/47/06/544324706.db2.gz SKJADAQFZNRFDV-HXUWFJFHSA-N 1 0 366.440 2.478 20 30 FEEDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2S(=O)(=O)c2cccc(Cl)c2C#N)C1 ZINC000247508707 549347545 /nfs/dbraw/zinc/34/75/45/549347545.db2.gz MZFDZRFJFKVREQ-SWLSCSKDSA-N 1 0 353.875 2.316 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)c(C(F)(F)F)c1 ZINC000146590585 544440295 /nfs/dbraw/zinc/44/02/95/544440295.db2.gz DHLXGRZMQTYATB-CYBMUJFWSA-N 1 0 373.400 2.436 20 30 FEEDRO C[C@H](CNC(=O)c1cn(CCC#N)nc1-c1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000150216477 544462193 /nfs/dbraw/zinc/46/21/93/544462193.db2.gz CMDPRNUVMVXRFO-CYBMUJFWSA-N 1 0 370.413 2.052 20 30 FEEDRO N#Cc1ccnc(Sc2nnc([C@@H]3CCC[NH2+]C3)n2C2CC2)c1[N+](=O)[O-] ZINC000150863777 544479691 /nfs/dbraw/zinc/47/96/91/544479691.db2.gz UQAGRXDCQUKYBR-LLVKDONJSA-N 1 0 371.426 2.406 20 30 FEEDRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)CCCC(=O)Nc1ccccc1C#N ZINC000151933630 544597608 /nfs/dbraw/zinc/59/76/08/544597608.db2.gz RTDOWNVWJGUPAD-SFHVURJKSA-N 1 0 356.470 2.466 20 30 FEEDRO C=CCOc1ccc(C(F)(F)F)cc1C(=O)NC[C@](C)(O)C[NH+](C)C ZINC000152573847 544669848 /nfs/dbraw/zinc/66/98/48/544669848.db2.gz KDFXOWJGPOTKAZ-INIZCTEOSA-N 1 0 360.376 2.313 20 30 FEEDRO CCO[C@@H]1C[C@@H](O)C12CC[NH+](CCC(=O)Nc1ccc(C#N)cc1)CC2 ZINC000152945726 544715140 /nfs/dbraw/zinc/71/51/40/544715140.db2.gz FQSVXOIXNDBKKV-QZTJIDSGSA-N 1 0 357.454 2.139 20 30 FEEDRO N#Cc1cccnc1N1CCC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000153766378 544820701 /nfs/dbraw/zinc/82/07/01/544820701.db2.gz XLLZRGVYASZFMK-SFHVURJKSA-N 1 0 367.409 2.107 20 30 FEEDRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)Nc1cc(C#N)ccc1Cl ZINC000154400012 544901008 /nfs/dbraw/zinc/90/10/08/544901008.db2.gz VXDBZEHVWXFSFY-CQSZACIVSA-N 1 0 362.861 2.483 20 30 FEEDRO N#Cc1ccnc(N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)c1Cl ZINC000553082288 674237807 /nfs/dbraw/zinc/23/78/07/674237807.db2.gz YHXSJBYLGPTDTP-SJORKVTESA-N 1 0 356.857 2.902 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCCC[C@H]2SCC)CC1 ZINC000553395405 674257562 /nfs/dbraw/zinc/25/75/62/674257562.db2.gz HQGLKNLFHXJPIC-DLBZAZTESA-N 1 0 367.559 2.324 20 30 FEEDRO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)c2c[nH]c(C#N)c2)cc1 ZINC000179899890 327664197 /nfs/dbraw/zinc/66/41/97/327664197.db2.gz NFFKDTQZHLTOEY-UHFFFAOYSA-N 1 0 353.426 2.210 20 30 FEEDRO Cc1cc(C[NH+]2CCN(c3ccc(C#N)cn3)CC2)ccc1-n1cncn1 ZINC000179985929 327667369 /nfs/dbraw/zinc/66/73/69/327667369.db2.gz LGSQLHPETMHNAA-UHFFFAOYSA-N 1 0 359.437 2.165 20 30 FEEDRO N#Cc1c(N2CC[NH+](CCCOCC(F)(F)F)CC2)nc2ccccn12 ZINC000181451577 327731161 /nfs/dbraw/zinc/73/11/61/327731161.db2.gz QSVVZUUWCMXXAQ-UHFFFAOYSA-N 1 0 367.375 2.297 20 30 FEEDRO N#Cc1cccnc1-n1cc(NC(=O)NCCCC[NH+]2CCCC2)cn1 ZINC000184605035 327875204 /nfs/dbraw/zinc/87/52/04/327875204.db2.gz SRZONFBPOVXUCZ-UHFFFAOYSA-N 1 0 353.430 2.136 20 30 FEEDRO N#Cc1ccc(OC[C@@H](O)C[NH+]2CCC(O)(c3ccccc3)CC2)cc1 ZINC000185519731 327920508 /nfs/dbraw/zinc/92/05/08/327920508.db2.gz BDSRQVSAVCHPJH-IBGZPJMESA-N 1 0 352.434 2.282 20 30 FEEDRO N#Cc1ccccc1Cn1cccc1C[NH2+]C[C@H]1COC2(CCOCC2)O1 ZINC000188231910 328074897 /nfs/dbraw/zinc/07/48/97/328074897.db2.gz YYKLTKWJWLLQKO-FQEVSTJZSA-N 1 0 367.449 2.420 20 30 FEEDRO Cc1nc(C#N)c(N2CCC(C(=O)NC[C@@H](C)[NH+]3CCC(C)CC3)CC2)o1 ZINC000189268162 328138057 /nfs/dbraw/zinc/13/80/57/328138057.db2.gz ZWRSWABSUYZICC-OAHLLOKOSA-N 1 0 373.501 2.308 20 30 FEEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CN2CC[C@@H](C)[C@@H]2CO)c1C#N ZINC000190446382 328208046 /nfs/dbraw/zinc/20/80/46/328208046.db2.gz HUULKQCNAWLDDT-ACJLOTCBSA-N 1 0 370.453 2.259 20 30 FEEDRO CCc1nnc(C2CC[NH+](CCC(=O)Nc3cccc(C#N)c3)CC2)[nH]1 ZINC000190690075 328224962 /nfs/dbraw/zinc/22/49/62/328224962.db2.gz UKTSHRJAGPFDRX-UHFFFAOYSA-N 1 0 352.442 2.447 20 30 FEEDRO C[C@H](C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)[NH+]1CCCCCC1 ZINC000191075995 328248718 /nfs/dbraw/zinc/24/87/18/328248718.db2.gz ODQHMLBOCFVLBE-APWZRJJASA-N 1 0 368.481 2.040 20 30 FEEDRO COc1cc(C#N)ccc1OCCN1CCSC[C@H]1c1cnn(C)c1 ZINC000191218450 328254496 /nfs/dbraw/zinc/25/44/96/328254496.db2.gz CMKFBMBVDBPFCW-INIZCTEOSA-N 1 0 358.467 2.469 20 30 FEEDRO CCOC(=O)c1ccc(N2CCC[N@H+](Cc3cc(C#N)n(C)c3)CC2)nc1 ZINC000191283942 328258256 /nfs/dbraw/zinc/25/82/56/328258256.db2.gz KQKOFEVBILSYAF-UHFFFAOYSA-N 1 0 367.453 2.181 20 30 FEEDRO Cc1ccn2c(C[NH2+][C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)cnc2c1 ZINC000192245062 328308650 /nfs/dbraw/zinc/30/86/50/328308650.db2.gz BAMXWVJMFJEAJK-IBGZPJMESA-N 1 0 359.433 2.405 20 30 FEEDRO CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000192683965 328333091 /nfs/dbraw/zinc/33/30/91/328333091.db2.gz JBMOOJMSVGBMDI-UHFFFAOYSA-N 1 0 371.485 2.140 20 30 FEEDRO C[C@@H](O)C[N@@H+]1CCN(Cc2ccc(C#N)cc2Br)[C@@H](C)C1 ZINC000192959952 328349267 /nfs/dbraw/zinc/34/92/67/328349267.db2.gz APWLOKMAAMIHFI-QWHCGFSZSA-N 1 0 352.276 2.208 20 30 FEEDRO C[NH+](C)CC1(CNC(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)CCCC1 ZINC000193284937 328366752 /nfs/dbraw/zinc/36/67/52/328366752.db2.gz LSFFQLIODOIVDW-UHFFFAOYSA-N 1 0 373.501 2.291 20 30 FEEDRO N#Cc1ccc(NC(=O)C(=O)N2CCC(C[NH+]3CCCC3)CC2)cc1Cl ZINC000193634429 328386933 /nfs/dbraw/zinc/38/69/33/328386933.db2.gz GPSSSUFIRQBHJG-UHFFFAOYSA-N 1 0 374.872 2.485 20 30 FEEDRO CCCCN(C)C(=O)C1CC[NH+](C[C@H](O)COc2ccc(C#N)cc2)CC1 ZINC000052185831 324712054 /nfs/dbraw/zinc/71/20/54/324712054.db2.gz CQIKKKQIYJTNPE-IBGZPJMESA-N 1 0 373.497 2.268 20 30 FEEDRO Cc1ccc(C#N)cc1S(=O)(=O)NC1CC[NH+](CCOC(C)C)CC1 ZINC000080822289 325145139 /nfs/dbraw/zinc/14/51/39/325145139.db2.gz VCWJVOYEERJHCG-UHFFFAOYSA-N 1 0 365.499 2.034 20 30 FEEDRO CCC[NH+]1CCC(CNC(=O)C(=O)Nc2cc(C#N)ccc2Cl)CC1 ZINC000088777633 325301129 /nfs/dbraw/zinc/30/11/29/325301129.db2.gz KQPCZVCTQPUALI-UHFFFAOYSA-N 1 0 362.861 2.388 20 30 FEEDRO CSc1ccc(NC(=O)[C@@H](C)[N@H+](C)CCCc2[nH]nc(N)c2C#N)cc1 ZINC000089943678 325343728 /nfs/dbraw/zinc/34/37/28/325343728.db2.gz SVOBAZVIYUOJAT-GFCCVEGCSA-N 1 0 372.498 2.477 20 30 FEEDRO N#Cc1ccsc1NC(=O)C[NH2+][C@H](CN1CCOCC1)c1ccccc1 ZINC000102700817 325497185 /nfs/dbraw/zinc/49/71/85/325497185.db2.gz LKCJGXJCWYMJOT-QGZVFWFLSA-N 1 0 370.478 2.221 20 30 FEEDRO C[NH+](C)[C@@H]1CCCN(S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)C1 ZINC000116347493 326008652 /nfs/dbraw/zinc/00/86/52/326008652.db2.gz RWIXRQABTJPGTA-GFCCVEGCSA-N 1 0 361.389 2.292 20 30 FEEDRO Cc1nc2c(cnn2C)c(N2CC[NH+]([C@@H](C)c3ccc(C#N)cc3)CC2)n1 ZINC000118398430 326090567 /nfs/dbraw/zinc/09/05/67/326090567.db2.gz VSNXCPAIFHDLCK-AWEZNQCLSA-N 1 0 361.453 2.427 20 30 FEEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000119295051 326146150 /nfs/dbraw/zinc/14/61/50/326146150.db2.gz LVVLVMOIDJRBGH-PBHICJAKSA-N 1 0 372.469 2.083 20 30 FEEDRO C[N@H+](CCC1CCOCC1)CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000120393285 326255290 /nfs/dbraw/zinc/25/52/90/326255290.db2.gz PNANIISULHVCBZ-UHFFFAOYSA-N 1 0 367.453 2.431 20 30 FEEDRO N#Cc1ccc(F)c(CNC(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)c1 ZINC000120883851 326296244 /nfs/dbraw/zinc/29/62/44/326296244.db2.gz DLZFXMDFZLKFMG-MOPGFXCFSA-N 1 0 374.460 2.264 20 30 FEEDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)C1 ZINC000122028606 326381213 /nfs/dbraw/zinc/38/12/13/326381213.db2.gz BMPSOCAVYGNRLA-MLGOLLRUSA-N 1 0 360.845 2.093 20 30 FEEDRO C[NH+](C)CCN(Cc1ccco1)C(=O)C(=O)Nc1ccc(Cl)c(C#N)c1 ZINC000123012551 326417123 /nfs/dbraw/zinc/41/71/23/326417123.db2.gz WBTAPJGQSQRFRY-UHFFFAOYSA-N 1 0 374.828 2.334 20 30 FEEDRO C[NH+](C)CCCOC1CCN(C(=O)c2c(F)cc(C#N)cc2F)CC1 ZINC000126960911 326498130 /nfs/dbraw/zinc/49/81/30/326498130.db2.gz GAAIISJSRPDNPU-UHFFFAOYSA-N 1 0 351.397 2.409 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(NC(=O)C3CC3)cc2)c1C#N ZINC000128137975 326518639 /nfs/dbraw/zinc/51/86/39/326518639.db2.gz VCLHNCBWPNIGAX-UHFFFAOYSA-N 1 0 366.425 2.034 20 30 FEEDRO CN(C)c1ncc(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cn1 ZINC000154858514 326770845 /nfs/dbraw/zinc/77/08/45/326770845.db2.gz MDNOEQRHRUISGY-UHFFFAOYSA-N 1 0 367.457 2.010 20 30 FEEDRO N#Cc1ccccc1OCC(=O)N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000158334733 326892602 /nfs/dbraw/zinc/89/26/02/326892602.db2.gz IMNANKJPNGFRBP-SFHVURJKSA-N 1 0 357.454 2.040 20 30 FEEDRO N#Cc1ccc(F)c(CS(=O)(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)c1 ZINC000162320407 327022552 /nfs/dbraw/zinc/02/25/52/327022552.db2.gz HCTMXLMFOSUBBH-HNNXBMFYSA-N 1 0 351.447 2.134 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)NCC2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000171082277 327116347 /nfs/dbraw/zinc/11/63/47/327116347.db2.gz DNGGCPYJUJYMTB-UHFFFAOYSA-N 1 0 370.478 2.144 20 30 FEEDRO C[NH+](C)CCN1CCC(NC(=O)Nc2cc(C#N)cn2C(C)(C)C)CC1 ZINC000171145959 327120628 /nfs/dbraw/zinc/12/06/28/327120628.db2.gz DEJPIOOUNAOBGD-UHFFFAOYSA-N 1 0 360.506 2.262 20 30 FEEDRO CC(C)(C)n1cc(C#N)cc1NC(=O)NCCCC[N@@H+]1CCC[C@H]1CO ZINC000171788423 327161681 /nfs/dbraw/zinc/16/16/81/327161681.db2.gz BLWYQXWJLNRVCL-INIZCTEOSA-N 1 0 361.490 2.473 20 30 FEEDRO COCC[NH+]1CCC(N[C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000173644218 327273254 /nfs/dbraw/zinc/27/32/54/327273254.db2.gz PEVAYABZSJCHTC-CYBMUJFWSA-N 1 0 364.877 2.239 20 30 FEEDRO C[C@H]([NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccc(C#N)cc1 ZINC000174009488 327301086 /nfs/dbraw/zinc/30/10/86/327301086.db2.gz UOJIADQLCJCBKL-ZDUSSCGKSA-N 1 0 374.422 2.096 20 30 FEEDRO COc1ccc([C@@H](C[NH2+]Cc2ccc(C#N)o2)N2CCOCC2)cc1OC ZINC000174246979 327315306 /nfs/dbraw/zinc/31/53/06/327315306.db2.gz PWTNJSBOMQMCCY-GOSISDBHSA-N 1 0 371.437 2.332 20 30 FEEDRO N#Cc1ccccc1OCC(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000175119283 327375102 /nfs/dbraw/zinc/37/51/02/327375102.db2.gz SPUUFIYMLPXCDV-UHFFFAOYSA-N 1 0 357.454 2.040 20 30 FEEDRO C[C@@H](Oc1ccccc1C#N)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000175123040 327375345 /nfs/dbraw/zinc/37/53/45/327375345.db2.gz QUPKJSUJSRMFJD-QGZVFWFLSA-N 1 0 371.481 2.429 20 30 FEEDRO Cc1cccc(N2CC[NH+](CCCNC(=O)c3cc(C#N)c[nH]3)CC2)c1 ZINC000175267957 327383410 /nfs/dbraw/zinc/38/34/10/327383410.db2.gz LJEZCWINNFUHAK-UHFFFAOYSA-N 1 0 351.454 2.137 20 30 FEEDRO CC(C)CC(=O)NCCC(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000265852843 329166538 /nfs/dbraw/zinc/16/65/38/329166538.db2.gz BCLYNJILMQDHLX-UHFFFAOYSA-N 1 0 358.486 2.001 20 30 FEEDRO N#Cc1ccc(NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000267963194 329372125 /nfs/dbraw/zinc/37/21/25/329372125.db2.gz UBNGTYGLERCZSN-GOSISDBHSA-N 1 0 352.394 2.298 20 30 FEEDRO CCN(CC)C(=O)CCC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000267972581 329373099 /nfs/dbraw/zinc/37/30/99/329373099.db2.gz VIKIMARVVQPOMH-UHFFFAOYSA-N 1 0 358.486 2.097 20 30 FEEDRO COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000268171940 329393131 /nfs/dbraw/zinc/39/31/31/329393131.db2.gz QVHVISKJYGQHCX-HNAYVOBHSA-N 1 0 356.470 2.199 20 30 FEEDRO N#Cc1cc(F)c(S(=O)(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)c(F)c1 ZINC000268181121 329394081 /nfs/dbraw/zinc/39/40/81/329394081.db2.gz NPOCSJSKNWXLTA-CYBMUJFWSA-N 1 0 355.410 2.085 20 30 FEEDRO C[C@H](NC(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1ccc(C#N)cc1 ZINC000268972495 329473927 /nfs/dbraw/zinc/47/39/27/329473927.db2.gz NOVJVJQFTDXOBG-KYNGSXCRSA-N 1 0 356.470 2.296 20 30 FEEDRO C[C@@H]([NH2+]CC(=O)NCCCN1CCCCCC1=O)c1ccc(C#N)cc1 ZINC000271627987 329709054 /nfs/dbraw/zinc/70/90/54/329709054.db2.gz FCDYCVZJLWUPCD-MRXNPFEDSA-N 1 0 356.470 2.118 20 30 FEEDRO CC(C)(C)OC(=O)NC[C@H]([NH2+]CC(=O)NCc1ccc(C#N)cc1)C1CC1 ZINC000273222631 329846715 /nfs/dbraw/zinc/84/67/15/329846715.db2.gz DHXJFCJIWHRXRI-KRWDZBQOSA-N 1 0 372.469 2.067 20 30 FEEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(C#N)cc2Cl)[C@@H](C)C1 ZINC000276211311 330129638 /nfs/dbraw/zinc/12/96/38/330129638.db2.gz ZYEMVDHRAPEZFF-LRDDRELGSA-N 1 0 362.861 2.339 20 30 FEEDRO Cc1nc(C#N)c(N2CCC(C(=O)NC3CC[NH+](C(C)(C)C)CC3)CC2)o1 ZINC000276453447 330153600 /nfs/dbraw/zinc/15/36/00/330153600.db2.gz NPGLECQLEDDBFP-UHFFFAOYSA-N 1 0 373.501 2.450 20 30 FEEDRO N#Cc1cccc(NC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCCCC2)c1 ZINC000364813564 330206960 /nfs/dbraw/zinc/20/69/60/330206960.db2.gz AXAJJYXYQDJDRT-SFHVURJKSA-N 1 0 354.454 2.364 20 30 FEEDRO CSC[C@](C)(C#N)NC(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000554776900 674335981 /nfs/dbraw/zinc/33/59/81/674335981.db2.gz VMOGPBWLTKFQMG-IBGZPJMESA-N 1 0 360.527 2.350 20 30 FEEDRO C[N@H+](CC1CC1)C[C@H]1CCN(S(=O)(=O)Cc2ccc(C#N)cc2F)C1 ZINC000555406663 674359519 /nfs/dbraw/zinc/35/95/19/674359519.db2.gz NKNKAOMVZUADKM-MRXNPFEDSA-N 1 0 365.474 2.191 20 30 FEEDRO C#CC[N@@H+](CC(=O)N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1)C1CCCC1 ZINC000155738998 545564260 /nfs/dbraw/zinc/56/42/60/545564260.db2.gz PHVCYVRENUSTQK-GOSISDBHSA-N 1 0 373.541 2.361 20 30 FEEDRO CNS(=O)(=O)[C@@H]1CC[N@H+](Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000156062520 545596510 /nfs/dbraw/zinc/59/65/10/545596510.db2.gz YYPOWQPUHVSELS-GOSISDBHSA-N 1 0 355.463 2.349 20 30 FEEDRO N#Cc1ccc(CNC(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)c(F)c1 ZINC000156193726 545606526 /nfs/dbraw/zinc/60/65/26/545606526.db2.gz ZRNFTROWLFKAPR-OALUTQOASA-N 1 0 374.460 2.264 20 30 FEEDRO CCC[NH+]1CCC(N2CCN(C[C@H](O)c3ccc(C#N)cc3)CC2)CC1 ZINC000156370904 545622319 /nfs/dbraw/zinc/62/23/19/545622319.db2.gz WCCHYMHNRJOHGF-NRFANRHFSA-N 1 0 356.514 2.084 20 30 FEEDRO CC(=O)N1CC[C@@H](C[N@@H+](C)[C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000156585804 545637262 /nfs/dbraw/zinc/63/72/62/545637262.db2.gz RIPVYZQVGQJEGZ-OCCSQVGLSA-N 1 0 362.861 2.339 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@@H]1CCC[C@H](C(N)=O)C1)C(C)C ZINC000156581989 545637347 /nfs/dbraw/zinc/63/73/47/545637347.db2.gz RGAIHZLITCVIPM-GVDBMIGSSA-N 1 0 350.507 2.028 20 30 FEEDRO COc1cc2c(cc1CN[C@H](C(N)=O)c1ccc(C#N)cc1)O[C@@H](C)C2 ZINC000158882788 545902439 /nfs/dbraw/zinc/90/24/39/545902439.db2.gz NRJWYERWDROVBS-BUXKBTBVSA-N 1 0 351.406 2.206 20 30 FEEDRO CC(C)Oc1ccc(NC(=O)C(=O)NCC[N@@H+]2CCC[C@H](C)C2)cc1C#N ZINC000160180631 546014980 /nfs/dbraw/zinc/01/49/80/546014980.db2.gz COIZGDVALQONMI-HNNXBMFYSA-N 1 0 372.469 2.132 20 30 FEEDRO C#CCOc1ccc(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)cc1 ZINC000160581904 546053608 /nfs/dbraw/zinc/05/36/08/546053608.db2.gz MPYHGJYHLVLCQM-WOJBJXKFSA-N 1 0 356.466 2.196 20 30 FEEDRO N#CCc1ccc(OC[C@H](O)C[NH+]2CCC([C@H](O)C(F)(F)F)CC2)cc1 ZINC000161598480 546132005 /nfs/dbraw/zinc/13/20/05/546132005.db2.gz ISMPWFKFDHJNAA-WBVHZDCISA-N 1 0 372.387 2.128 20 30 FEEDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)Nc1ccn(CCC#N)n1 ZINC000163493900 546146063 /nfs/dbraw/zinc/14/60/63/546146063.db2.gz JFRITXXWOXUQRN-WBVHZDCISA-N 1 0 352.442 2.439 20 30 FEEDRO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)C2(C#N)CCCCC2)c1 ZINC000171285966 546200807 /nfs/dbraw/zinc/20/08/07/546200807.db2.gz YCGJPYGKZQTFKX-UHFFFAOYSA-N 1 0 356.470 2.068 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)[C@@H]2CCCN2C(=O)Nc2ccccc2)CC1 ZINC000171720191 546220606 /nfs/dbraw/zinc/22/06/06/546220606.db2.gz YMMNQLWEGFQTTL-SFHVURJKSA-N 1 0 356.470 2.450 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)[C@H]2CCCN2C(=O)Cc2cccs2)CC1 ZINC000171714861 546220869 /nfs/dbraw/zinc/22/08/69/546220869.db2.gz IDXWDIQHEAVNHK-QGZVFWFLSA-N 1 0 361.511 2.048 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C[C@@H](NC(C)=O)c2ccc(OC)cc2)CC1 ZINC000171724062 546222226 /nfs/dbraw/zinc/22/22/26/546222226.db2.gz NGUZNSYDVOLTHZ-LJQANCHMSA-N 1 0 359.470 2.029 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N2CCc3c(cccc3NC(C)=O)C2)CC1 ZINC000171740432 546223697 /nfs/dbraw/zinc/22/36/97/546223697.db2.gz CFRVPXGROTVAEI-UHFFFAOYSA-N 1 0 356.470 2.363 20 30 FEEDRO Cn1c(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000479315422 561187057 /nfs/dbraw/zinc/18/70/57/561187057.db2.gz XCWXMFOFNQVVGT-UHFFFAOYSA-N 1 0 367.409 2.221 20 30 FEEDRO Cc1ccccc1C[NH+]1CCC(NC(=O)CN(CCC#N)CCC#N)CC1 ZINC000172623578 546261850 /nfs/dbraw/zinc/26/18/50/546261850.db2.gz RWMFJVNCFIXYIL-UHFFFAOYSA-N 1 0 367.497 2.205 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C[C@@H]2CN(Cc3ccccc3)CCO2)CC1 ZINC000173160751 546274868 /nfs/dbraw/zinc/27/48/68/546274868.db2.gz ICQVTHDZRVXRCW-HXUWFJFHSA-N 1 0 357.498 2.044 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(F)cc2OC(F)F)CC1 ZINC000173275990 546276997 /nfs/dbraw/zinc/27/69/97/546276997.db2.gz UBLOIHXZGBVGGV-UHFFFAOYSA-N 1 0 371.359 2.132 20 30 FEEDRO C#CCCOc1ccc(C[NH2+][C@H]2CCCN(c3ccn(C)n3)C2=O)cc1 ZINC000174588318 546300306 /nfs/dbraw/zinc/30/03/06/546300306.db2.gz UTONDTSQWJYAOQ-SFHVURJKSA-N 1 0 352.438 2.107 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH+]1CCC(CC(=O)NC)CC1 ZINC000175021073 546305610 /nfs/dbraw/zinc/30/56/10/546305610.db2.gz SZQZPTCYBKWJAI-HNNXBMFYSA-N 1 0 363.527 2.499 20 30 FEEDRO CCOc1ccc(C#N)cc1NC(=O)NC[C@@H](C)C[NH+]1CCN(CC)CC1 ZINC000175619713 546321582 /nfs/dbraw/zinc/32/15/82/546321582.db2.gz MCDLDQLZFNQPSQ-MRXNPFEDSA-N 1 0 373.501 2.352 20 30 FEEDRO N#CCOc1ccccc1C(=O)NC1CC[NH+](Cc2cccnc2)CC1 ZINC000175675507 546332037 /nfs/dbraw/zinc/33/20/37/546332037.db2.gz QXRSGFWPDGSRLJ-UHFFFAOYSA-N 1 0 350.422 2.378 20 30 FEEDRO C[NH+](C)Cc1cccc(CNC(=O)C(=O)Nc2ccc(F)cc2C#N)c1 ZINC000175950643 546377755 /nfs/dbraw/zinc/37/77/55/546377755.db2.gz QQQNUQQHYWFYFF-UHFFFAOYSA-N 1 0 354.385 2.014 20 30 FEEDRO Cc1ccc(C#N)cc1NC(=O)C(=O)NCC[N@@H+](C)Cc1ccc(F)cc1 ZINC000176332387 546433128 /nfs/dbraw/zinc/43/31/28/546433128.db2.gz WZQHKAFLUOMYRO-UHFFFAOYSA-N 1 0 368.412 2.193 20 30 FEEDRO N#Cc1cc(F)c(S(=O)(=O)N2CCC[C@H]2C[NH+]2CCCC2)c(F)c1 ZINC000177135346 546552609 /nfs/dbraw/zinc/55/26/09/546552609.db2.gz IFQPXCZUJXZGPK-ZDUSSCGKSA-N 1 0 355.410 2.085 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H](C)c2cn(-c3ccccc3)nn2)CC1 ZINC000177994698 546719596 /nfs/dbraw/zinc/71/95/96/546719596.db2.gz RXWMOELMTRDQIR-HNNXBMFYSA-N 1 0 354.458 2.278 20 30 FEEDRO C[C@H]1C[NH+](CCC2CCN(C(=O)c3ccc(C#N)cn3)CC2)C[C@H](C)O1 ZINC000178251726 546764933 /nfs/dbraw/zinc/76/49/33/546764933.db2.gz WETUOEVKPSTCBB-HOTGVXAUSA-N 1 0 356.470 2.305 20 30 FEEDRO Cc1c(C#N)cccc1NC(=O)C(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000178418549 546790550 /nfs/dbraw/zinc/79/05/50/546790550.db2.gz WJVNDTOSINOZSQ-HNNXBMFYSA-N 1 0 356.470 2.434 20 30 FEEDRO Cc1c(C#N)cccc1NC(=O)C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000178448893 546795981 /nfs/dbraw/zinc/79/59/81/546795981.db2.gz RNHOMRYPTWCYEQ-CQSZACIVSA-N 1 0 356.470 2.432 20 30 FEEDRO N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)NCCC[NH+]1CCCC1 ZINC000178500220 546803589 /nfs/dbraw/zinc/80/35/89/546803589.db2.gz OXPUUVMFGZRBHO-UHFFFAOYSA-N 1 0 361.389 2.341 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N2CCN(c3nc(C)c(C)s3)CC2)CC1 ZINC000178830020 546857326 /nfs/dbraw/zinc/85/73/26/546857326.db2.gz NXDIQTRYUUTZJH-UHFFFAOYSA-N 1 0 363.531 2.242 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000179301737 546927958 /nfs/dbraw/zinc/92/79/58/546927958.db2.gz WQVBKPMPOXEIQY-UHFFFAOYSA-N 1 0 350.532 2.472 20 30 FEEDRO COc1ccccc1CNC(=[NH2+])NC[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000179395234 546945080 /nfs/dbraw/zinc/94/50/80/546945080.db2.gz HWVXUGZFGSLHEP-QGZVFWFLSA-N 1 0 366.465 2.148 20 30 FEEDRO C=CCNC(=O)NC(=O)C[NH2+][C@@H](C)c1cccc(OCc2ccccn2)c1 ZINC000179692416 546998790 /nfs/dbraw/zinc/99/87/90/546998790.db2.gz MGWUAWFSUHABNO-HNNXBMFYSA-N 1 0 368.437 2.323 20 30 FEEDRO C=CCNC(=O)NC(=O)C[NH2+][C@H](C)c1cccc(OCc2ccccn2)c1 ZINC000179692427 546999172 /nfs/dbraw/zinc/99/91/72/546999172.db2.gz MGWUAWFSUHABNO-OAHLLOKOSA-N 1 0 368.437 2.323 20 30 FEEDRO CC[C@@H]1Oc2cc([C@H](C)[NH2+]CC(=O)N(CC)C[C@@H](C)C#N)ccc2NC1=O ZINC000180013232 547039569 /nfs/dbraw/zinc/03/95/69/547039569.db2.gz CBOASRSRQCWMHK-ZQIUZPCESA-N 1 0 372.469 2.455 20 30 FEEDRO C=CCNC(=O)CNC(=O)NCc1ccccc1C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000180351821 547088948 /nfs/dbraw/zinc/08/89/48/547088948.db2.gz KGCCNMZYXXFGEN-IRXDYDNUSA-N 1 0 372.513 2.266 20 30 FEEDRO C=CCNC(=O)CNC(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC000180394323 547098956 /nfs/dbraw/zinc/09/89/56/547098956.db2.gz ZNMKXAGQQUTPMT-MRXNPFEDSA-N 1 0 358.486 2.251 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)c2cn(-c3cccc(Cl)c3F)nn2)CC1 ZINC000180522586 547123878 /nfs/dbraw/zinc/12/38/78/547123878.db2.gz YXLXMVQRMVDPRD-UHFFFAOYSA-N 1 0 363.824 2.440 20 30 FEEDRO C[C@H]([NH2+]CC(=O)NCC#N)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000180607008 547140517 /nfs/dbraw/zinc/14/05/17/547140517.db2.gz HTOIORLVCUXSSK-ZDUSSCGKSA-N 1 0 354.385 2.368 20 30 FEEDRO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2Cc3ccccc3C[C@H]2C)CC1 ZINC000180685530 547158226 /nfs/dbraw/zinc/15/82/26/547158226.db2.gz IWXFMOGNCHWNNT-XLIONFOSSA-N 1 0 354.498 2.126 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2C[C@H]3CCC[N@@H+]3Cc3ccccc32)cn1 ZINC000180954746 547218013 /nfs/dbraw/zinc/21/80/13/547218013.db2.gz CARPZDOXDUYLTC-MRXNPFEDSA-N 1 0 354.435 2.127 20 30 FEEDRO C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(S(=O)(=O)NC)cc1 ZINC000181046314 547238584 /nfs/dbraw/zinc/23/85/84/547238584.db2.gz BFXLCLMKSUWTOQ-GJZGRUSLSA-N 1 0 367.515 2.058 20 30 FEEDRO Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CCC[C@@H](C(C)(C)C)C3)CC2)o1 ZINC000483257829 561272053 /nfs/dbraw/zinc/27/20/53/561272053.db2.gz SDODSDMUZPLTOS-MRXNPFEDSA-N 1 0 373.501 2.261 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@H](CCO)C2CCCCC2)cc1 ZINC000181498242 547323519 /nfs/dbraw/zinc/32/35/19/547323519.db2.gz OBNSVAQLJPIQMB-GOSISDBHSA-N 1 0 350.484 2.253 20 30 FEEDRO C[C@H]([NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1cccc(C#N)c1 ZINC000181613448 547344783 /nfs/dbraw/zinc/34/47/83/547344783.db2.gz IEYZDFLLPXEJNN-ZDUSSCGKSA-N 1 0 374.422 2.096 20 30 FEEDRO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1CCCOCc1ccccc1 ZINC000182461023 547497617 /nfs/dbraw/zinc/49/76/17/547497617.db2.gz XJNBEYNPHMVDAM-KRWDZBQOSA-N 1 0 351.454 2.466 20 30 FEEDRO C[C@@H]1CCCC[N@@H+]1CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000182622616 547523198 /nfs/dbraw/zinc/52/31/98/547523198.db2.gz SCAYGSURZXQGDK-APWZRJJASA-N 1 0 358.461 2.409 20 30 FEEDRO C=CCOc1cccc(NC(=O)C(=O)NCC2(C[NH+](C)C)CCCC2)c1 ZINC000183347832 547642154 /nfs/dbraw/zinc/64/21/54/547642154.db2.gz JUBAQNSHDGVTCY-UHFFFAOYSA-N 1 0 359.470 2.428 20 30 FEEDRO C[C@@H]([NH2+]CC(=O)N(CCC#N)CCC#N)c1cccc(-n2cccn2)c1 ZINC000183606198 547688625 /nfs/dbraw/zinc/68/86/25/547688625.db2.gz GJUIQIHNRCQRTR-MRXNPFEDSA-N 1 0 350.426 2.179 20 30 FEEDRO CCO[C@@H]1COCC[C@@H]1[NH2+]CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000484615170 561301187 /nfs/dbraw/zinc/30/11/87/561301187.db2.gz LIGCFRSNKDWADL-DLBZAZTESA-N 1 0 365.861 2.370 20 30 FEEDRO N#Cc1cccc(/C=C/C(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)c1 ZINC000183784202 547719703 /nfs/dbraw/zinc/71/97/03/547719703.db2.gz QDJRZYGAFVHSKQ-SHBDEGQCSA-N 1 0 361.445 2.454 20 30 FEEDRO CC[N@H+](CCO)CCNC(=O)c1ccccc1Oc1ccccc1C#N ZINC000183952896 547744325 /nfs/dbraw/zinc/74/43/25/547744325.db2.gz QJNOOZYDGOOLFH-UHFFFAOYSA-N 1 0 353.422 2.395 20 30 FEEDRO CN1CC[NH+](CCC(C)(C)NC(=O)CSCc2ccc(C#N)cc2)CC1 ZINC000184221647 547790027 /nfs/dbraw/zinc/79/00/27/547790027.db2.gz PBBFURTUUFSUQN-UHFFFAOYSA-N 1 0 374.554 2.324 20 30 FEEDRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)CCCCOc1cccc(C#N)c1 ZINC000184393608 547819245 /nfs/dbraw/zinc/81/92/45/547819245.db2.gz VGQRWQONQPXZMI-SFHVURJKSA-N 1 0 372.513 2.250 20 30 FEEDRO C[N@@H+]1CCC[C@H]2CN(C(=O)Nc3cnn(-c4ncccc4C#N)c3)CC[C@@H]21 ZINC000184597027 547851170 /nfs/dbraw/zinc/85/11/70/547851170.db2.gz OBRBUGPQQNDROB-RDJZCZTQSA-N 1 0 365.441 2.087 20 30 FEEDRO CCOC(=O)N1CC[C@H]([NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000185769784 548033991 /nfs/dbraw/zinc/03/39/91/548033991.db2.gz AUPAXZNTPQYZAF-KRWDZBQOSA-N 1 0 353.426 2.279 20 30 FEEDRO COc1cc(C#N)ccc1S(=O)(=O)N[C@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000185838484 548043778 /nfs/dbraw/zinc/04/37/78/548043778.db2.gz JNRWAISVCCKVAE-RBSFLKMASA-N 1 0 365.499 2.212 20 30 FEEDRO CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)c1cccc(CC#N)c1 ZINC000188167527 548273915 /nfs/dbraw/zinc/27/39/15/548273915.db2.gz GUVGMRQJODJCEG-JOCHJYFZSA-N 1 0 363.461 2.462 20 30 FEEDRO C[C@H]([NH2+]Cc1ccc(S(=O)(=O)CCO)cc1)c1ccc(OCC#N)cc1 ZINC000189165444 548297529 /nfs/dbraw/zinc/29/75/29/548297529.db2.gz YCXZKKLAVHHUAH-HNNXBMFYSA-N 1 0 374.462 2.206 20 30 FEEDRO C=CCOc1ccc(/C=C/C(=O)NCC[N@@H+]2CCCOCC2)cc1OC ZINC000189401963 548302279 /nfs/dbraw/zinc/30/22/79/548302279.db2.gz MHTAENLABKKCPD-SOFGYWHQSA-N 1 0 360.454 2.112 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000189391506 548302550 /nfs/dbraw/zinc/30/25/50/548302550.db2.gz MKKOYJCPXVWHOZ-UHFFFAOYSA-N 1 0 374.441 2.408 20 30 FEEDRO C=C(C)CS(=O)(=O)N[C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000189554930 548304624 /nfs/dbraw/zinc/30/46/24/548304624.db2.gz OQIMNVMYYFVBFV-MRXNPFEDSA-N 1 0 350.484 2.470 20 30 FEEDRO Cc1cccc(N(CCC#N)C(=O)C[N@@H+](C)CC2(O)CCOCC2)c1C ZINC000189776939 548310599 /nfs/dbraw/zinc/31/05/99/548310599.db2.gz RLOVUZFCSDVGPX-UHFFFAOYSA-N 1 0 359.470 2.023 20 30 FEEDRO CCS[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1 ZINC000190066241 548316586 /nfs/dbraw/zinc/31/65/86/548316586.db2.gz CGHZJYRNWSZNAE-FGTMMUONSA-N 1 0 366.575 2.333 20 30 FEEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+](C)C2(CO)CCOCC2)c1 ZINC000191002431 548339103 /nfs/dbraw/zinc/33/91/03/548339103.db2.gz SMXHNHVCBOIBJU-UHFFFAOYSA-N 1 0 359.470 2.023 20 30 FEEDRO C[C@H]1CC(O)C[C@H](C)[NH+]1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000191193619 548341662 /nfs/dbraw/zinc/34/16/62/548341662.db2.gz XGEXNYYSIBUENM-KBPBESRZSA-N 1 0 368.399 2.407 20 30 FEEDRO C[NH+](C)CCn1ccc(NC(=O)Nc2ncccc2OCCCC#N)n1 ZINC000191683929 548349164 /nfs/dbraw/zinc/34/91/64/548349164.db2.gz GLUCDOVBNRPJJQ-UHFFFAOYSA-N 1 0 357.418 2.166 20 30 FEEDRO COc1cccc(C[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1O ZINC000192242710 548360834 /nfs/dbraw/zinc/36/08/34/548360834.db2.gz OCVQKDDIQWSECI-KRWDZBQOSA-N 1 0 351.406 2.163 20 30 FEEDRO N#CCOc1ccccc1C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000194175767 548445653 /nfs/dbraw/zinc/44/56/53/548445653.db2.gz OCJHDJKCNRQBNP-UHFFFAOYSA-N 1 0 350.422 2.378 20 30 FEEDRO CCOC(=O)[C@@H]1CCCCN1C(=O)CN(Cc1ccc(C#N)cc1)C1CC1 ZINC000194964063 548556127 /nfs/dbraw/zinc/55/61/27/548556127.db2.gz DPXBRYLWQGSJGH-IBGZPJMESA-N 1 0 369.465 2.467 20 30 FEEDRO C[C@](C#N)(NC(=O)CN1CC[N@H+](Cc2ccccc2)C(C)(C)C1)C1CC1 ZINC000216906644 548678344 /nfs/dbraw/zinc/67/83/44/548678344.db2.gz QHHZAYUWYVGKPN-OAQYLSRUSA-N 1 0 354.498 2.391 20 30 FEEDRO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000227905115 548753390 /nfs/dbraw/zinc/75/33/90/548753390.db2.gz HRQLXCHWRWNRJN-RHSMWYFYSA-N 1 0 354.454 2.123 20 30 FEEDRO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CCC[C@@H](CCC(N)=O)C1 ZINC000245393510 548905706 /nfs/dbraw/zinc/90/57/06/548905706.db2.gz DDGWHXSZJNMGQQ-ASPXRTSYSA-N 1 0 362.518 2.283 20 30 FEEDRO CC[NH+](CC)CC(=O)Nc1cccc(N[C@@H](C)C(=O)NC2(C#N)CCC2)c1 ZINC000487900099 561378262 /nfs/dbraw/zinc/37/82/62/561378262.db2.gz SHLXCIWYEJSSJW-HNNXBMFYSA-N 1 0 371.485 2.330 20 30 FEEDRO N#Cc1ccc(N2CCC[C@H]([N@@H+]3CCC[C@@H](Cn4cncn4)C3)C2=O)cc1 ZINC000245513399 548937614 /nfs/dbraw/zinc/93/76/14/548937614.db2.gz AHBQWPBKFBGUPB-MJGOQNOKSA-N 1 0 364.453 2.057 20 30 FEEDRO C[C@H](O)C[N@@H+]1CCN(Cc2ccc(C#N)cc2Br)C[C@@H]1C ZINC000245564151 548948062 /nfs/dbraw/zinc/94/80/62/548948062.db2.gz YVHASOJKSJQYLD-STQMWFEESA-N 1 0 352.276 2.208 20 30 FEEDRO C[S@](=O)C[C@@H]([NH2+]C[C@@H](O)COc1ccc(C#N)cc1)c1ccccc1 ZINC000245907586 549015637 /nfs/dbraw/zinc/01/56/37/549015637.db2.gz UKELCVKGBXPLFW-IZJXBPLLSA-N 1 0 358.463 2.007 20 30 FEEDRO C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCCC[C@H]1CN1CCOCC1 ZINC000246228470 549084132 /nfs/dbraw/zinc/08/41/32/549084132.db2.gz CAURIPBMMCPHKF-APWZRJJASA-N 1 0 356.470 2.072 20 30 FEEDRO Cn1cc(C#N)cc1C(=O)NCCC[N@@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000246289321 549097533 /nfs/dbraw/zinc/09/75/33/549097533.db2.gz AYAYJYIZNKWJKX-FQEVSTJZSA-N 1 0 365.481 2.005 20 30 FEEDRO C=CCc1ccccc1OC[C@@H](O)C[NH+]1CCC(Oc2cnccn2)CC1 ZINC000488739899 561395731 /nfs/dbraw/zinc/39/57/31/561395731.db2.gz XHHNYEZHIQPULZ-SFHVURJKSA-N 1 0 369.465 2.488 20 30 FEEDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)COc2ccccc2C#N)[C@@H](C)C1 ZINC000246674268 549187008 /nfs/dbraw/zinc/18/70/08/549187008.db2.gz BRMFZICHDZOYPI-FUHWJXTLSA-N 1 0 359.470 2.190 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CCC[C@@H]([S@@](=O)CC)C2)CC1 ZINC000246778088 549210016 /nfs/dbraw/zinc/21/00/16/549210016.db2.gz ZDVGKTDBIKUXOB-OJLQRUNKSA-N 1 0 355.548 2.406 20 30 FEEDRO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)N3CCO[C@@H](C#N)C3)cc2)C1 ZINC000246916497 549242592 /nfs/dbraw/zinc/24/25/92/549242592.db2.gz AISIVCAVYGYQDO-APWZRJJASA-N 1 0 356.470 2.352 20 30 FEEDRO C=CC[C@@H](C)NC(=O)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000246925423 549243552 /nfs/dbraw/zinc/24/35/52/549243552.db2.gz BLFPLCBEYJLEDO-CRAIPNDOSA-N 1 0 358.486 2.148 20 30 FEEDRO C=CC[C@H](CO)NC(=O)C(=O)Nc1cccc2c1C[N@H+]([C@H](C)C(C)C)C2 ZINC000248497088 549450685 /nfs/dbraw/zinc/45/06/85/549450685.db2.gz LPXMXULMOHYGJZ-GDBMZVCRSA-N 1 0 359.470 2.038 20 30 FEEDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)Nc1cccc(OCCCC#N)c1 ZINC000249163886 549564070 /nfs/dbraw/zinc/56/40/70/549564070.db2.gz JUAWFAKLDCNKKK-CRAIPNDOSA-N 1 0 372.469 2.106 20 30 FEEDRO C=CCCCS(=O)(=O)N(C[C@H](O)CC(C)(C)C)C1CC[NH+](C)CC1 ZINC000489897990 561421799 /nfs/dbraw/zinc/42/17/99/561421799.db2.gz RCWSJQLIWQWXHY-QGZVFWFLSA-N 1 0 360.564 2.476 20 30 FEEDRO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC[C@@H](Cc2nccn2C)C1 ZINC000252656445 549676228 /nfs/dbraw/zinc/67/62/28/549676228.db2.gz GKKIFKIAGQWFQX-IRXDYDNUSA-N 1 0 357.502 2.406 20 30 FEEDRO CCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000253357942 549683524 /nfs/dbraw/zinc/68/35/24/549683524.db2.gz JNWYZWGJWRBQAQ-CABCVRRESA-N 1 0 372.469 2.132 20 30 FEEDRO C[NH+]=C(NCc1ccc(OC)c(OC)c1)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000261615296 549734812 /nfs/dbraw/zinc/73/48/12/549734812.db2.gz GQIYCCBGSPXBKS-BMGDILEWSA-N 1 0 359.470 2.326 20 30 FEEDRO C[NH+]=C(NCc1nc(C(F)(F)F)cs1)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000261955264 549773426 /nfs/dbraw/zinc/77/34/26/549773426.db2.gz IOXVSBHKDVLEMJ-ONGXEEELSA-N 1 0 361.437 2.310 20 30 FEEDRO C[NH+]=C(NCc1nnc(C)n1C)N(C)Cc1ccc(Br)cc1 ZINC000261967018 549775400 /nfs/dbraw/zinc/77/54/00/549775400.db2.gz LRGREHFONKNNNC-UHFFFAOYSA-N 1 0 365.279 2.093 20 30 FEEDRO [NH2+]=C(NCc1ccc(N2CCOCC2)nc1)Nc1ccc2c(c1)CCC2 ZINC000262193966 549796886 /nfs/dbraw/zinc/79/68/86/549796886.db2.gz CMDVOAUCAIPNMI-UHFFFAOYSA-N 1 0 351.454 2.334 20 30 FEEDRO C[C@@H]1CCCC[C@@H]1[NH+]=C(NCc1ccco1)NC[C@H]1CCS(=O)(=O)C1 ZINC000262334329 549811398 /nfs/dbraw/zinc/81/13/98/549811398.db2.gz BMLKCDJUMXLZKE-INMHGKMJSA-N 1 0 367.515 2.328 20 30 FEEDRO CC[C@@H](C)[NH+]=C(NC[C@H]1CCS(=O)(=O)C1)N1CCc2ccccc2C1 ZINC000262365070 549814017 /nfs/dbraw/zinc/81/40/17/549814017.db2.gz HNLVRAGMKFGMDP-HZPDHXFCSA-N 1 0 363.527 2.224 20 30 FEEDRO C[NH+]=C(NCc1ccc(NS(C)(=O)=O)cc1)N1CCc2ccccc21 ZINC000263261550 549890335 /nfs/dbraw/zinc/89/03/35/549890335.db2.gz SQGXUSALNWOALY-UHFFFAOYSA-N 1 0 358.467 2.196 20 30 FEEDRO CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCC(C(=O)Nc2cccc(F)c2)CC1 ZINC000263785501 549936848 /nfs/dbraw/zinc/93/68/48/549936848.db2.gz ZUODAZSWQYJRDU-OAHLLOKOSA-N 1 0 374.460 2.484 20 30 FEEDRO CC(C)C(=O)NC[C@H]1CCC[N@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000263789781 549937438 /nfs/dbraw/zinc/93/74/38/549937438.db2.gz XDXDFQULFZQHPN-MRXNPFEDSA-N 1 0 356.470 2.371 20 30 FEEDRO CCOCCC[NH+]=C(NCCn1ccnc1C)NCc1ccc(OC)cc1 ZINC000263991089 549964973 /nfs/dbraw/zinc/96/49/73/549964973.db2.gz VTCUUESPWGDLTC-UHFFFAOYSA-N 1 0 373.501 2.362 20 30 FEEDRO CN1CCN(C(=O)c2ccc(CNC(=[NH2+])Nc3ccccc3)cc2)CC1 ZINC000264064786 549974855 /nfs/dbraw/zinc/97/48/55/549974855.db2.gz DRUFWAYFLIXYGU-UHFFFAOYSA-N 1 0 351.454 2.001 20 30 FEEDRO CC(C)c1cccc(NC(=[NH2+])NCCc2ccc(S(N)(=O)=O)cc2)c1 ZINC000264083329 549977198 /nfs/dbraw/zinc/97/71/98/549977198.db2.gz JCONKTOXGQJYQS-UHFFFAOYSA-N 1 0 360.483 2.427 20 30 FEEDRO COc1ccc(NC(=[NH2+])NC[C@@H]2CN(Cc3ccccc3)CCO2)cc1 ZINC000264118440 549981174 /nfs/dbraw/zinc/98/11/74/549981174.db2.gz QLUXDAAARHZSJN-LJQANCHMSA-N 1 0 354.454 2.323 20 30 FEEDRO COc1ccc(NC(=[NH2+])NC[C@@H](O)COc2ccc(F)cc2)cc1OC ZINC000264124011 549982257 /nfs/dbraw/zinc/98/22/57/549982257.db2.gz VXLGBALTQOPBDW-CQSZACIVSA-N 1 0 363.389 2.009 20 30 FEEDRO CCCC[NH+]=C(NCc1ccc(C)cc1)NCC1(C(N)=O)CCOCC1 ZINC000264130720 549982900 /nfs/dbraw/zinc/98/29/00/549982900.db2.gz XZBFPDNLFVFRPR-UHFFFAOYSA-N 1 0 360.502 2.112 20 30 FEEDRO C[C@H](NC(=[NH2+])NC[C@H]1CCS(=O)(=O)C1)c1ccc(Cl)cc1Cl ZINC000264132042 549983277 /nfs/dbraw/zinc/98/32/77/549983277.db2.gz UGWYHWJJBNPEMO-VHSXEESVSA-N 1 0 364.298 2.393 20 30 FEEDRO COc1ccc(CNC(=[NH2+])NCc2cccc(OC)c2OC)cc1OC ZINC000264148503 549985137 /nfs/dbraw/zinc/98/51/37/549985137.db2.gz YRNHYIOIARQJKO-UHFFFAOYSA-N 1 0 359.426 2.326 20 30 FEEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000264747648 550000750 /nfs/dbraw/zinc/00/07/50/550000750.db2.gz JJKTYYJXYOVQBE-CYBMUJFWSA-N 1 0 356.923 2.345 20 30 FEEDRO C[C@@H](CN(C)C(=O)OC(C)(C)C)C(N)=NOCc1cccc(C(N)=O)c1 ZINC000264822385 550002360 /nfs/dbraw/zinc/00/23/60/550002360.db2.gz GFYZOHRMBFIXEO-LBPRGKRZSA-N 1 0 364.446 2.077 20 30 FEEDRO C[C@H](CN(C)C(=O)OC(C)(C)C)C(N)=NOCc1ccc(C(N)=O)cc1 ZINC000264931396 550003640 /nfs/dbraw/zinc/00/36/40/550003640.db2.gz PJUHBTJBZABMBD-GFCCVEGCSA-N 1 0 364.446 2.077 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H](CO)c2c(F)cccc2F)CC1 ZINC000265267246 550008083 /nfs/dbraw/zinc/00/80/83/550008083.db2.gz UEFPHHBRPPRTBY-MRXNPFEDSA-N 1 0 353.413 2.338 20 30 FEEDRO COCC[N@@H+]1CC[C@H](NC(=O)Nc2cccc(C#Cc3ccccn3)c2)C1 ZINC000265469909 550010162 /nfs/dbraw/zinc/01/01/62/550010162.db2.gz HUWORRDDPCOQIT-FQEVSTJZSA-N 1 0 364.449 2.324 20 30 FEEDRO CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCC(C(=O)Nc2ccc(O)cc2)CC1 ZINC000265974987 550015461 /nfs/dbraw/zinc/01/54/61/550015461.db2.gz BFQXIEADJPSKGN-HNNXBMFYSA-N 1 0 372.469 2.051 20 30 FEEDRO C=CCOCCCC(=O)NCc1ccccc1CN1CC[NH+](CC)CC1 ZINC000266279571 550018940 /nfs/dbraw/zinc/01/89/40/550018940.db2.gz UHYLRDIWTJQBRE-UHFFFAOYSA-N 1 0 359.514 2.423 20 30 FEEDRO CCOC(=O)N1CCC(NC(=[NH2+])NC[C@H]2CCOc3ccccc32)CC1 ZINC000267473116 550032413 /nfs/dbraw/zinc/03/24/13/550032413.db2.gz YKWJQGBTABVYHT-CQSZACIVSA-N 1 0 360.458 2.078 20 30 FEEDRO COC(=O)CCc1ccc(NC(=O)N(CCC#N)CCC[NH+](C)C)cc1 ZINC000267906001 550035251 /nfs/dbraw/zinc/03/52/51/550035251.db2.gz AQKILDARFSSLNL-UHFFFAOYSA-N 1 0 360.458 2.491 20 30 FEEDRO CON(C)C(=O)c1ccc(NC(=O)N(CCC#N)CCC[NH+](C)C)cc1 ZINC000267960224 550035994 /nfs/dbraw/zinc/03/59/94/550035994.db2.gz WYYLGIRVJBWVCG-UHFFFAOYSA-N 1 0 361.446 2.019 20 30 FEEDRO COC[C@](C)(CCO)[NH2+]CC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000267950955 550036117 /nfs/dbraw/zinc/03/61/17/550036117.db2.gz QEMJIEBZMUUULY-KDOFPFPSSA-N 1 0 365.499 2.396 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc3c(c2)CC(C)(C)O3)CC1 ZINC000268423646 550063503 /nfs/dbraw/zinc/06/35/03/550063503.db2.gz WGHFADSLZGCRQY-UHFFFAOYSA-N 1 0 357.454 2.105 20 30 FEEDRO CN(C(C)(C)C[NH+]1CCCCCC1)S(=O)(=O)c1ccc(C#N)nc1 ZINC000492021128 561448897 /nfs/dbraw/zinc/44/88/97/561448897.db2.gz DYUIHTOBASZCEF-UHFFFAOYSA-N 1 0 350.488 2.228 20 30 FEEDRO C[NH+](C)[C@H]1CCN(c2ccc(NC(=O)c3ccccc3OCC#N)nc2)C1 ZINC000269397413 550190453 /nfs/dbraw/zinc/19/04/53/550190453.db2.gz BZGHAZVSWLVIIW-INIZCTEOSA-N 1 0 365.437 2.377 20 30 FEEDRO N#Cc1ccc(CNC(=O)CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000269699952 550218101 /nfs/dbraw/zinc/21/81/01/550218101.db2.gz YCEJWVUBSYBOTQ-AZUAARDMSA-N 1 0 352.482 2.123 20 30 FEEDRO N#CCc1cccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)c1 ZINC000270862209 550314758 /nfs/dbraw/zinc/31/47/58/550314758.db2.gz NEAOGIQLCXOUPE-SFTDATJTSA-N 1 0 363.461 2.365 20 30 FEEDRO C[C@H]1OCC[C@]1(C)[NH2+]CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000494207095 561464661 /nfs/dbraw/zinc/46/46/61/561464661.db2.gz BAQGDFBKZMNLOD-DYVFJYSZSA-N 1 0 354.372 2.330 20 30 FEEDRO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CCNC(=O)C1N=CC=CC1=O ZINC000271536734 550383548 /nfs/dbraw/zinc/38/35/48/550383548.db2.gz XVEGPOCGDFYMBS-MGVNEBLISA-N 1 0 368.481 2.013 20 30 FEEDRO C=CCN(CC=C)C(=O)C[NH2+][C@@H]1CC(=O)N(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000494245543 561465627 /nfs/dbraw/zinc/46/56/27/561465627.db2.gz RZQVSFXAISAQLV-VQIMIIECSA-N 1 0 363.408 2.027 20 30 FEEDRO C=C(Cl)CNC(=O)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000271688228 550395361 /nfs/dbraw/zinc/39/53/61/550395361.db2.gz QQPLLLJIGIPUIH-UHFFFAOYSA-N 1 0 364.877 2.024 20 30 FEEDRO CC(C)[NH+]1CCN(c2ccc(C(=O)N3CCSC[C@H]3C#N)cc2)CC1 ZINC000271726802 550397944 /nfs/dbraw/zinc/39/79/44/550397944.db2.gz MQUIQHRPJJPVSJ-GOSISDBHSA-N 1 0 358.511 2.298 20 30 FEEDRO COc1cc([C@H](C)[NH2+]CC(=O)N(CCC#N)CCC#N)cc(OC)c1OC ZINC000271741389 550399054 /nfs/dbraw/zinc/39/90/54/550399054.db2.gz ITVWFDFYERFWEA-AWEZNQCLSA-N 1 0 374.441 2.019 20 30 FEEDRO N#CCCN(CCC#N)C(=O)C[NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000271770610 550400645 /nfs/dbraw/zinc/40/06/45/550400645.db2.gz ITCCYLHVPKFFLE-PKOBYXMFSA-N 1 0 354.454 2.400 20 30 FEEDRO C#CCC[NH+]1CCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000272023594 550416594 /nfs/dbraw/zinc/41/65/94/550416594.db2.gz NOPMBWVSHPHJIK-UHFFFAOYSA-N 1 0 354.410 2.433 20 30 FEEDRO COc1cc(C#N)ccc1OCCCC(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000272567940 550458143 /nfs/dbraw/zinc/45/81/43/550458143.db2.gz VAHVYWVYYAPCCB-DLBZAZTESA-N 1 0 357.454 2.278 20 30 FEEDRO Cc1nn(C)c2ncc(C[NH2+][C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)cc12 ZINC000272636932 550462304 /nfs/dbraw/zinc/46/23/04/550462304.db2.gz YNBPRYLNSWBBPF-LJQANCHMSA-N 1 0 374.448 2.434 20 30 FEEDRO CC1(C#N)CCN(C(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)CC1 ZINC000272750192 550468529 /nfs/dbraw/zinc/46/85/29/550468529.db2.gz IRTRJDKTMFSFOK-SFHVURJKSA-N 1 0 356.470 2.088 20 30 FEEDRO CCCC[C@@H](ON=C(C)C)C(=O)Nc1ccc(=O)n(CC[NH+](C)C)c1 ZINC000273466778 550499564 /nfs/dbraw/zinc/49/95/64/550499564.db2.gz NUVXFZQNMDGRHX-MRXNPFEDSA-N 1 0 350.463 2.320 20 30 FEEDRO CN(CC[N@H+](C)C1CC1)C(=O)CCC(=O)N(CCC#N)c1ccccc1 ZINC000274593258 550545218 /nfs/dbraw/zinc/54/52/18/550545218.db2.gz RFRIZWKEXIRFEW-UHFFFAOYSA-N 1 0 356.470 2.266 20 30 FEEDRO CC(C)[C@@H](CN(C)Cc1ccccc1)[NH2+]CC(=O)N(CCC#N)CCC#N ZINC000274867299 550560919 /nfs/dbraw/zinc/56/09/19/550560919.db2.gz URGVCKDFHRFNTF-HXUWFJFHSA-N 1 0 369.513 2.389 20 30 FEEDRO C[C@@H](C#N)CN(C)C(=O)C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000275734608 550574084 /nfs/dbraw/zinc/57/40/84/550574084.db2.gz VGJOAWPIHZHPSM-CVEARBPZSA-N 1 0 356.470 2.475 20 30 FEEDRO O=C1N[C@]2(CC[N@H+](Cc3ccccc3)C2)C(=O)N1CC#Cc1ccccc1 ZINC000276526602 550579047 /nfs/dbraw/zinc/57/90/47/550579047.db2.gz FKMCGORKFPHQMD-QFIPXVFZSA-N 1 0 359.429 2.235 20 30 FEEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000277152847 550637500 /nfs/dbraw/zinc/63/75/00/550637500.db2.gz RBWQZQMNEQCBAI-MRXNPFEDSA-N 1 0 372.469 2.227 20 30 FEEDRO C[C@H]1CCN(CCC(=O)Nc2sc3c(c2C#N)CCC3)CC[S@]1=O ZINC000277268420 550649873 /nfs/dbraw/zinc/64/98/73/550649873.db2.gz RLIKYUFNAZOMDZ-FNODVLLQSA-N 1 0 365.524 2.280 20 30 FEEDRO N#Cc1ccc(Cl)c(NC(=O)C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)c1 ZINC000277442448 550670988 /nfs/dbraw/zinc/67/09/88/550670988.db2.gz HBWQDWQQYMUWCA-AWEZNQCLSA-N 1 0 360.845 2.283 20 30 FEEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C2CCN(c3oc(C)nc3C#N)CC2)[C@@H](C)C1 ZINC000277814426 550717078 /nfs/dbraw/zinc/71/70/78/550717078.db2.gz WNTASDPZDVKNIR-KBXCAEBGSA-N 1 0 373.501 2.260 20 30 FEEDRO CCn1nccc1[C@@H]1OCC[C@H]1CNC(=[NH2+])NCc1ccccc1OC ZINC000277881724 550724908 /nfs/dbraw/zinc/72/49/08/550724908.db2.gz COJFROQKGYSYLM-MAUKXSAKSA-N 1 0 357.458 2.094 20 30 FEEDRO N#Cc1ccc(NC(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)c(Cl)c1 ZINC000278239576 550764194 /nfs/dbraw/zinc/76/41/94/550764194.db2.gz SSRZGBXFEDPAKZ-UHFFFAOYSA-N 1 0 360.845 2.141 20 30 FEEDRO CC1(C)CN(CC[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)CCO1 ZINC000278542386 550797501 /nfs/dbraw/zinc/79/75/01/550797501.db2.gz ABYSBKRXWUUXMJ-UHFFFAOYSA-N 1 0 368.485 2.059 20 30 FEEDRO COC(=O)C1CC[NH+](Cc2cn(CCC#N)nc2-c2ccncc2)CC1 ZINC000279483890 550895342 /nfs/dbraw/zinc/89/53/42/550895342.db2.gz XDEWSVBOWYHZDU-UHFFFAOYSA-N 1 0 353.426 2.244 20 30 FEEDRO N#Cc1ccc(CN2CCN(C(=O)C3CC[NH+](C4CC4)CC3)CC2)cc1 ZINC000279681097 550916236 /nfs/dbraw/zinc/91/62/36/550916236.db2.gz HBJQUXJZPLMHIC-UHFFFAOYSA-N 1 0 352.482 2.077 20 30 FEEDRO C[C@@H]1C[N@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@@]2(CCOC2)O1 ZINC000280372934 550986582 /nfs/dbraw/zinc/98/65/82/550986582.db2.gz VMCQLKJXYQJSHO-FOIQADDNSA-N 1 0 352.438 2.339 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(OCC(=O)NC)cc2C)CC1 ZINC000280587037 551010340 /nfs/dbraw/zinc/01/03/40/551010340.db2.gz VKOKIHZSXRGXCF-UHFFFAOYSA-N 1 0 374.485 2.282 20 30 FEEDRO C=C(C)CS(=O)(=O)NCc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000280599813 551012124 /nfs/dbraw/zinc/01/21/24/551012124.db2.gz PETSOPKTZNGNNI-IYBDPMFKSA-N 1 0 352.500 2.291 20 30 FEEDRO C=CCN1CC[C@H](N(C)C(=O)Nc2ccc(C)cc2OCC[NH+](C)C)C1=O ZINC000281358303 551088248 /nfs/dbraw/zinc/08/82/48/551088248.db2.gz LYPWWYVHUKMODH-KRWDZBQOSA-N 1 0 374.485 2.186 20 30 FEEDRO C=CCN1CC[C@H]([N@H+](C)CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1=O ZINC000281480360 551102953 /nfs/dbraw/zinc/10/29/53/551102953.db2.gz WMMPVRVSAXYDPB-INIZCTEOSA-N 1 0 360.845 2.259 20 30 FEEDRO C[NH+](C)[C@H]1CCCN(S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)C1 ZINC000281877292 551152018 /nfs/dbraw/zinc/15/20/18/551152018.db2.gz BCVMIZBDMGSPBY-LBPRGKRZSA-N 1 0 361.389 2.292 20 30 FEEDRO C=CCN1CC[C@H]([NH+]2CCC(NC(=O)Nc3ccc(F)cc3)CC2)C1=O ZINC000282023937 551170694 /nfs/dbraw/zinc/17/06/94/551170694.db2.gz PKRSTVDCZGLDTF-KRWDZBQOSA-N 1 0 360.433 2.199 20 30 FEEDRO C[NH+](C)CCOc1ccc(NC(=O)C(=O)NCC2CCC(C#N)CC2)cc1 ZINC000282083675 551178452 /nfs/dbraw/zinc/17/84/52/551178452.db2.gz RJWKNLAOFOUBRM-UHFFFAOYSA-N 1 0 372.469 2.012 20 30 FEEDRO CC(C)(C)C(=O)NC[C@H]1CCC[N@H+](CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000497423150 561500741 /nfs/dbraw/zinc/50/07/41/561500741.db2.gz YIBOETVCHLQPIT-GOSISDBHSA-N 1 0 370.497 2.049 20 30 FEEDRO C=CCn1c(-c2ccccc2)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000282288231 551207087 /nfs/dbraw/zinc/20/70/87/551207087.db2.gz NOPWIHNDZYAUJT-QGZVFWFLSA-N 1 0 353.470 2.290 20 30 FEEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+](C)CCOCCO)sc2C1 ZINC000282489643 551236388 /nfs/dbraw/zinc/23/63/88/551236388.db2.gz MYWQSSNWEVCYNG-CYBMUJFWSA-N 1 0 365.499 2.014 20 30 FEEDRO C=CCn1c(-c2cnn(C)c2)nnc1N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000282644910 551255335 /nfs/dbraw/zinc/25/53/35/551255335.db2.gz QCGMSAUOKPCFDR-YJBOKZPZSA-N 1 0 367.501 2.318 20 30 FEEDRO C#Cc1cc(F)c(NC(=O)C(=O)NCC[NH+](C(C)C)C(C)C)c(F)c1 ZINC000282951999 551289204 /nfs/dbraw/zinc/28/92/04/551289204.db2.gz NKKWQIGMELHJBW-UHFFFAOYSA-N 1 0 351.397 2.120 20 30 FEEDRO Cc1nc(C#N)c(N2CCC(C(=O)Nc3ccn4ccnc4c3)CC2)o1 ZINC000282983878 551293215 /nfs/dbraw/zinc/29/32/15/551293215.db2.gz JUJVRZMMJKKTGG-UHFFFAOYSA-N 1 0 350.382 2.358 20 30 FEEDRO C[C@H](CC#N)N(C)S(=O)(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000282992132 551294689 /nfs/dbraw/zinc/29/46/89/551294689.db2.gz NASLPEOTRPHUDX-HUUCEWRRSA-N 1 0 370.544 2.028 20 30 FEEDRO C[C@@H](CC#N)N(C)S(=O)(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000282992124 551294772 /nfs/dbraw/zinc/29/47/72/551294772.db2.gz NASLPEOTRPHUDX-GJZGRUSLSA-N 1 0 370.544 2.028 20 30 FEEDRO C=CCN(CC=C)C(=O)C(=O)NC[C@H](c1ccccc1OC)[NH+]1CCCC1 ZINC000283286118 551341948 /nfs/dbraw/zinc/34/19/48/551341948.db2.gz DDOIJUQDZNBOMX-GOSISDBHSA-N 1 0 371.481 2.149 20 30 FEEDRO C=C(C)Cn1c(-c2cnn(C)c2)nnc1N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000283353650 551352134 /nfs/dbraw/zinc/35/21/34/551352134.db2.gz SGNXGZBWQCAQMX-MRXNPFEDSA-N 1 0 357.506 2.423 20 30 FEEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000283951723 551456439 /nfs/dbraw/zinc/45/64/39/551456439.db2.gz LFEODKTYMXEPND-UHFFFAOYSA-N 1 0 368.481 2.040 20 30 FEEDRO C=CCN(CCc1ccco1)C(=O)C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000284181323 551499531 /nfs/dbraw/zinc/49/95/31/551499531.db2.gz VJGMZNATTUHAOG-IBGZPJMESA-N 1 0 369.465 2.256 20 30 FEEDRO COC(=O)c1ccc(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)[nH]1 ZINC000498222517 561519106 /nfs/dbraw/zinc/51/91/06/561519106.db2.gz UTOIUOBPRQACFK-UHFFFAOYSA-N 1 0 366.421 2.089 20 30 FEEDRO C[C@@H](O)C[N@@H+]1CCN(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)[C@@H](C)C1 ZINC000284576279 551581109 /nfs/dbraw/zinc/58/11/09/551581109.db2.gz KNWHGCNJICRXFX-NWDGAFQWSA-N 1 0 370.375 2.496 20 30 FEEDRO C=CCCO[C@H](C)C(=O)NCc1ccc(CN2CC[NH+](CC)CC2)cc1 ZINC000498532172 561527180 /nfs/dbraw/zinc/52/71/80/561527180.db2.gz BHRBDHXAIGTIBF-GOSISDBHSA-N 1 0 359.514 2.422 20 30 FEEDRO CN(CCC[N@H+](C)C[C@@H](O)COc1ccc(C#N)cc1)Cc1ccco1 ZINC000285522083 551769688 /nfs/dbraw/zinc/76/96/88/551769688.db2.gz DYQLFFUQAZXYCP-GOSISDBHSA-N 1 0 357.454 2.345 20 30 FEEDRO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1C[C@H](N2CCOCC2)C[C@H]1C ZINC000285771444 551808203 /nfs/dbraw/zinc/80/82/03/551808203.db2.gz DMBCBSOFXNYWJR-WSTZPKSXSA-N 1 0 370.497 2.117 20 30 FEEDRO C=CCOc1ccccc1CNC(=O)C(=O)NC1CC[NH+](CCCC)CC1 ZINC000285790804 551811007 /nfs/dbraw/zinc/81/10/07/551811007.db2.gz GEXMLUHKSLRNNH-UHFFFAOYSA-N 1 0 373.497 2.248 20 30 FEEDRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)c2ccc(F)c(C#N)c2)CC1 ZINC000285864327 551820530 /nfs/dbraw/zinc/82/05/30/551820530.db2.gz DOCUGYOYEXFRKE-HZPDHXFCSA-N 1 0 358.461 2.328 20 30 FEEDRO N#Cc1cc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)ccc1F ZINC000285875881 551822206 /nfs/dbraw/zinc/82/22/06/551822206.db2.gz WFOPZXWGQNGXSQ-ICSRJNTNSA-N 1 0 367.424 2.310 20 30 FEEDRO COc1cc(OC)c2ncc(C#N)c(NCCC[NH+]3CCN(C)CC3)c2c1 ZINC000285957934 551831959 /nfs/dbraw/zinc/83/19/59/551831959.db2.gz AHFXJZJRUWKTPJ-UHFFFAOYSA-N 1 0 369.469 2.173 20 30 FEEDRO N#Cc1ccc(N2CCC([NH2+]CC(=O)NCCc3ccccc3)CC2)cc1 ZINC000286033043 551840868 /nfs/dbraw/zinc/84/08/68/551840868.db2.gz JHKUSFNJUOUVDX-UHFFFAOYSA-N 1 0 362.477 2.476 20 30 FEEDRO N#CCCN(CCC#N)C(=O)C[N@@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 ZINC000286065188 551844679 /nfs/dbraw/zinc/84/46/79/551844679.db2.gz RRLKXAPTYZSBBD-VAMGGRTRSA-N 1 0 366.465 2.147 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)NCc2cccc(OCC(C)C)c2)CC1 ZINC000286227545 551863237 /nfs/dbraw/zinc/86/32/37/551863237.db2.gz YCGXVGLIWZIQOP-UHFFFAOYSA-N 1 0 373.497 2.104 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CC[C@H](Cc3ccccc3)C2)CC1 ZINC000286451348 551887025 /nfs/dbraw/zinc/88/70/25/551887025.db2.gz HNNLZZJLIPWCER-LJQANCHMSA-N 1 0 369.509 2.234 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(C)[C@@H](C)c2ccc(OC)cc2)CC1 ZINC000286624290 551907412 /nfs/dbraw/zinc/90/74/12/551907412.db2.gz MBBBZPZJAASSSM-INIZCTEOSA-N 1 0 373.497 2.371 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N(C)Cc2ccccc2SC)CC1 ZINC000286849302 551932973 /nfs/dbraw/zinc/93/29/73/551932973.db2.gz YRQOKVDZZNUXGU-UHFFFAOYSA-N 1 0 361.511 2.134 20 30 FEEDRO N#Cc1ccc(N2CC[C@@H](C(=O)N3CC[N@@H+]4CCCC[C@H]4C3)C2)c(F)c1 ZINC000286886051 551936435 /nfs/dbraw/zinc/93/64/35/551936435.db2.gz IUBFRHBWFYKECZ-SJORKVTESA-N 1 0 356.445 2.220 20 30 FEEDRO CN(C1CC[NH+](Cc2ccccc2)CC1)S(=O)(=O)c1ccc(C#N)o1 ZINC000287076490 551960400 /nfs/dbraw/zinc/96/04/00/551960400.db2.gz XTPMXTHFPSMRRP-UHFFFAOYSA-N 1 0 359.451 2.436 20 30 FEEDRO C=CCCN(C)C(=O)C(=O)NCC1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000287201713 551975846 /nfs/dbraw/zinc/97/58/46/551975846.db2.gz UQMARPKUBJCMBY-UHFFFAOYSA-N 1 0 373.497 2.058 20 30 FEEDRO C#CCN(Cc1ccccc1)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000287381819 551996863 /nfs/dbraw/zinc/99/68/63/551996863.db2.gz IPPOHJJZOPXMRW-IBGZPJMESA-N 1 0 355.482 2.332 20 30 FEEDRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)S(=O)(=O)c1ccc(C#N)o1 ZINC000287642326 552029194 /nfs/dbraw/zinc/02/91/94/552029194.db2.gz BZJOAJSIZLWQPM-UHFFFAOYSA-N 1 0 374.466 2.473 20 30 FEEDRO N#Cc1cc(Br)ccc1CN1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000287808225 552049186 /nfs/dbraw/zinc/04/91/86/552049186.db2.gz OYJHLDZDERWFDO-AWEZNQCLSA-N 1 0 364.287 2.475 20 30 FEEDRO C[C@H](C[N@H+](C)Cc1ccccc1)NS(=O)(=O)Cc1ccc(C#N)cc1 ZINC000288247366 552118447 /nfs/dbraw/zinc/11/84/47/552118447.db2.gz BHHZXFBDULEQPE-MRXNPFEDSA-N 1 0 357.479 2.498 20 30 FEEDRO CCCCCCCCNC(=[NH2+])NCc1ccc(OC)c(S(N)(=O)=O)c1 ZINC000288755144 552206277 /nfs/dbraw/zinc/20/62/77/552206277.db2.gz RJXVWRLLXVNGSZ-UHFFFAOYSA-N 1 0 370.519 2.107 20 30 FEEDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)C(=O)Nc1ccc(C#N)cc1Cl ZINC000289120926 552269366 /nfs/dbraw/zinc/26/93/66/552269366.db2.gz QHPUMIQOWMXKEV-OCCSQVGLSA-N 1 0 360.845 2.235 20 30 FEEDRO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H]1[C@@H]1COCC[C@@H]1O ZINC000500351197 561570574 /nfs/dbraw/zinc/57/05/74/561570574.db2.gz BHNUOHPRVASAAX-WCIQWLHISA-N 1 0 361.482 2.017 20 30 FEEDRO C[C@@H]1C[C@H](NS(=O)(=O)c2cncc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000289613077 552349631 /nfs/dbraw/zinc/34/96/31/552349631.db2.gz YONPRZFKPJLJRK-CRAIPNDOSA-N 1 0 370.478 2.285 20 30 FEEDRO C[C@@H]1C[C@@H](NS(=O)(=O)c2cncc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000289613086 552349655 /nfs/dbraw/zinc/34/96/55/552349655.db2.gz YONPRZFKPJLJRK-QAPCUYQASA-N 1 0 370.478 2.285 20 30 FEEDRO C[C@H]1CCC[C@@](CNC(=O)C(=O)Nc2ccc(C#N)c(F)c2)([NH+](C)C)C1 ZINC000289825483 552384789 /nfs/dbraw/zinc/38/47/89/552384789.db2.gz AIMBOLDIWIGKEM-ORAYPTAESA-N 1 0 360.433 2.263 20 30 FEEDRO C=CCc1cc(C[N@@H+]2CCC[C@H]2C[C@]2(C)NC(=O)NC2=O)cc(OC)c1O ZINC000289838813 552386772 /nfs/dbraw/zinc/38/67/72/552386772.db2.gz UNCDDDIVSHMYFP-YWZLYKJASA-N 1 0 373.453 2.082 20 30 FEEDRO C=C[C@H](CO)NC(=O)C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000289965704 552406673 /nfs/dbraw/zinc/40/66/73/552406673.db2.gz FHDVSHJXDRGVMC-MRXNPFEDSA-N 1 0 359.470 2.053 20 30 FEEDRO C=C[C@@H](CO)NC(=O)C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000289965700 552406889 /nfs/dbraw/zinc/40/68/89/552406889.db2.gz FHDVSHJXDRGVMC-INIZCTEOSA-N 1 0 359.470 2.053 20 30 FEEDRO Cc1cccnc1[C@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)C(C)C ZINC000290021283 552415486 /nfs/dbraw/zinc/41/54/86/552415486.db2.gz STRCNPJTCQODCD-QGZVFWFLSA-N 1 0 358.467 2.417 20 30 FEEDRO CCO[C@@H]1C[C@H](N(C)CCS(=O)(=O)c2ccc(C#N)cn2)C12CCC2 ZINC000290262950 552450390 /nfs/dbraw/zinc/45/03/90/552450390.db2.gz KVSWFDVGISNROL-JKSUJKDBSA-N 1 0 363.483 2.006 20 30 FEEDRO C=CCn1c(COc2ccc(OC)cc2)nnc1N1CC[NH+](CC)CC1 ZINC000290387649 552471268 /nfs/dbraw/zinc/47/12/68/552471268.db2.gz NHYCBVGOOJIYNL-UHFFFAOYSA-N 1 0 357.458 2.194 20 30 FEEDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000290530677 552493597 /nfs/dbraw/zinc/49/35/97/552493597.db2.gz WNPBUOUHTGLVQN-GFCCVEGCSA-N 1 0 350.850 2.387 20 30 FEEDRO C=C(C)Cn1c(-c2ccc[nH]2)nnc1N1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000291048491 552580513 /nfs/dbraw/zinc/58/05/13/552580513.db2.gz OSEVZJMAHHBBSC-QGZVFWFLSA-N 1 0 369.517 2.066 20 30 FEEDRO C[C@@H]([NH2+]CC(=O)N[C@](C)(C#N)C1CC1)c1ccc(N2CCCNC2=O)cc1 ZINC000291363546 552618924 /nfs/dbraw/zinc/61/89/24/552618924.db2.gz ZCHQLMPPFHDENG-JLTOFOAXSA-N 1 0 369.469 2.065 20 30 FEEDRO N#Cc1ccc(N2CC[C@H]([N@@H+]3CC[C@@](CO)(c4ccccc4)C3)C2=O)cc1 ZINC000291898664 552673037 /nfs/dbraw/zinc/67/30/37/552673037.db2.gz RBAYAXLORPXEKN-RBBKRZOGSA-N 1 0 361.445 2.300 20 30 FEEDRO COc1ccc([C@H](O)C2CC[NH+]([C@@H](C)C(=O)N(C)CCC#N)CC2)cc1 ZINC000291906982 552673662 /nfs/dbraw/zinc/67/36/62/552673662.db2.gz ROPXQEKRNXMBDM-KXBFYZLASA-N 1 0 359.470 2.201 20 30 FEEDRO C=CCN(CCC#N)CC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1 ZINC000292176585 552701436 /nfs/dbraw/zinc/70/14/36/552701436.db2.gz MEOCHVHQXBYBMI-UHFFFAOYSA-N 1 0 354.498 2.431 20 30 FEEDRO Cc1c(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)nnn1C(C)C ZINC000292290964 552712893 /nfs/dbraw/zinc/71/28/93/552712893.db2.gz PGQFLEXGAGVBIU-UHFFFAOYSA-N 1 0 354.458 2.243 20 30 FEEDRO C[C@@H](CCNC(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1)[NH+]1CCCCC1 ZINC000292300996 552713627 /nfs/dbraw/zinc/71/36/27/552713627.db2.gz MYIBAXBTDVCEHX-WMZOPIPTSA-N 1 0 371.485 2.380 20 30 FEEDRO C[C@@H]1CN(C(=O)C(C)(C)C)C[C@H](C)N1C[C@@H](O)COc1ccc(C#N)cc1 ZINC000292432470 552726242 /nfs/dbraw/zinc/72/62/42/552726242.db2.gz WEZIAUWSSIVJRH-SOLBZPMBSA-N 1 0 373.497 2.265 20 30 FEEDRO N#Cc1ccc(O[C@@H]2CCN(Cc3cnnn3Cc3ccccc3)C2)nc1 ZINC000292817462 552761280 /nfs/dbraw/zinc/76/12/80/552761280.db2.gz PLVZRKSNWQWVCQ-LJQANCHMSA-N 1 0 360.421 2.246 20 30 FEEDRO C[C@H](CNC(=O)N1CCN(c2ncccc2C#N)CC1)[N@@H+]1CCCC[C@@H]1C ZINC000501533572 561599884 /nfs/dbraw/zinc/59/98/84/561599884.db2.gz RQQQPFMAUSHHBO-DLBZAZTESA-N 1 0 370.501 2.048 20 30 FEEDRO N#Cc1ccsc1NC(=O)C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000293047498 552783901 /nfs/dbraw/zinc/78/39/01/552783901.db2.gz NUOCCJWBBPPNAT-INIZCTEOSA-N 1 0 368.462 2.339 20 30 FEEDRO C[N@@H+]1CC[C@@]2(CCN(C(=O)C(=O)Nc3ccccc3SCCC#N)C2)C1 ZINC000293120061 552790594 /nfs/dbraw/zinc/79/05/94/552790594.db2.gz DRUYDUWOHMRWED-LJQANCHMSA-N 1 0 372.494 2.185 20 30 FEEDRO O=C(C[N@H+]1CCC[C@@H](CO)CC1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000293258631 552804385 /nfs/dbraw/zinc/80/43/85/552804385.db2.gz UHCZABGDMVLPMD-MRXNPFEDSA-N 1 0 368.399 2.268 20 30 FEEDRO N#Cc1ccc(OC[C@@H](O)C[NH+]2CCC(CO)(c3ccccc3)CC2)cc1 ZINC000293434308 552823255 /nfs/dbraw/zinc/82/32/55/552823255.db2.gz UOWATTJRCSRGJR-FQEVSTJZSA-N 1 0 366.461 2.324 20 30 FEEDRO CN(C)c1cc(C#N)cc(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)c1 ZINC000294302696 552895361 /nfs/dbraw/zinc/89/53/61/552895361.db2.gz QYIKEZRQAXOESF-WOJBJXKFSA-N 1 0 370.497 2.122 20 30 FEEDRO C[C@@H](c1cccc(C#N)c1)[N@H+](C)CCN(C)c1ccc(S(N)(=O)=O)cc1 ZINC000295205513 552969650 /nfs/dbraw/zinc/96/96/50/552969650.db2.gz LKQSWGFVHLTZKY-HNNXBMFYSA-N 1 0 372.494 2.335 20 30 FEEDRO N#Cc1ccc(NC(=O)CC[N@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)cc1 ZINC000295558267 553026006 /nfs/dbraw/zinc/02/60/06/553026006.db2.gz KVDZNZOHMDEFRS-DLBZAZTESA-N 1 0 362.433 2.168 20 30 FEEDRO N#C[C@]1(C(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)CC12CCCC2 ZINC000295721252 553049952 /nfs/dbraw/zinc/04/99/52/553049952.db2.gz UHLPLUINPDKFHO-NQIIRXRSSA-N 1 0 353.466 2.343 20 30 FEEDRO C=CCOc1ccc(CC(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)cc1 ZINC000295745707 553053501 /nfs/dbraw/zinc/05/35/01/553053501.db2.gz GPZVIVKYIQMZPW-SFHVURJKSA-N 1 0 358.482 2.411 20 30 FEEDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1S(=O)(=O)Cc1ccc(F)cc1C#N ZINC000295980973 553084677 /nfs/dbraw/zinc/08/46/77/553084677.db2.gz LALLTRFFULPKKW-CXAGYDPISA-N 1 0 351.447 2.086 20 30 FEEDRO CC1(C)[C@H]([NH2+]CC(=O)Nc2c(C#N)cnn2-c2ccccc2)[C@@H]2CCO[C@@H]21 ZINC000296089819 553102906 /nfs/dbraw/zinc/10/29/06/553102906.db2.gz HJJHQLAAEJETPM-JQHSSLGASA-N 1 0 365.437 2.086 20 30 FEEDRO C#CC[N@@H+](C)CCCNC(=O)N[C@H](C)c1nc(-c2ccccc2OC)no1 ZINC000296393015 553152445 /nfs/dbraw/zinc/15/24/45/553152445.db2.gz IKDQWUPMVBAPGO-CQSZACIVSA-N 1 0 371.441 2.061 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(F)cc1)S(=O)(=O)CC(C)(C)CC#N ZINC000296718825 553202485 /nfs/dbraw/zinc/20/24/85/553202485.db2.gz MVGDYPLUSZZJEY-UHFFFAOYSA-N 1 0 355.479 2.459 20 30 FEEDRO COc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H](CC(C)C)C[NH+]1CCCC1 ZINC000296943658 553233100 /nfs/dbraw/zinc/23/31/00/553233100.db2.gz TZSVNUVOLJCMLY-INIZCTEOSA-N 1 0 372.469 2.132 20 30 FEEDRO N#Cc1cnc2ccccc2c1N1CC[NH+](C[C@@H]2CCNC(=O)CC2)CC1 ZINC000296987737 553239165 /nfs/dbraw/zinc/23/91/65/553239165.db2.gz FBDZWKAFYJZJNL-INIZCTEOSA-N 1 0 363.465 2.145 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@H](C)[S@](=O)CC1)C(C)C ZINC000297013400 553242337 /nfs/dbraw/zinc/24/23/37/553242337.db2.gz HONNVOYWOKDCAD-OBWXTZQISA-N 1 0 355.548 2.238 20 30 FEEDRO C=CCCN(C)C(=O)C(=O)N1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC000297408538 553288579 /nfs/dbraw/zinc/28/85/79/553288579.db2.gz AMSXFQGBRPNFJW-UHFFFAOYSA-N 1 0 363.889 2.409 20 30 FEEDRO CC(C)[C@](C)([NH2+]CC(=O)N(CCC#N)c1cccc(Cl)c1)C(N)=O ZINC000297688853 553325208 /nfs/dbraw/zinc/32/52/08/553325208.db2.gz PTAXWICGPSPNHF-KRWDZBQOSA-N 1 0 350.850 2.076 20 30 FEEDRO COc1cc2[nH+]ccc(NCCCc3[nH]nc(N)c3C#N)c2cc1OC ZINC000298177608 553394519 /nfs/dbraw/zinc/39/45/19/553394519.db2.gz GHCYBSHUVLEATJ-UHFFFAOYSA-N 1 0 352.398 2.474 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1cccc(OCC(N)=O)c1)C(C)C ZINC000298477881 553429662 /nfs/dbraw/zinc/42/96/62/553429662.db2.gz FGJUXWMBWZCKLX-GOSISDBHSA-N 1 0 374.485 2.371 20 30 FEEDRO COC[C@@H]([NH2+]CCC(=O)Nc1ccc(C#N)c(Cl)c1)[C@@H]1CCCO1 ZINC000298582807 553444259 /nfs/dbraw/zinc/44/42/59/553444259.db2.gz RDUSIBZXQOEWGB-CVEARBPZSA-N 1 0 351.834 2.324 20 30 FEEDRO N#Cc1cccc(C2([NH2+]CCC(=O)Nc3sccc3C(N)=O)CC2)c1 ZINC000299011778 553503123 /nfs/dbraw/zinc/50/31/23/553503123.db2.gz QSSDCYPRYXNSLI-UHFFFAOYSA-N 1 0 354.435 2.326 20 30 FEEDRO COCCN(CC(=O)NCc1ccc(C#N)cc1)Cc1ccc(C#N)cc1 ZINC000299411518 553559932 /nfs/dbraw/zinc/55/99/32/553559932.db2.gz PBNRXVIXCIVZNE-UHFFFAOYSA-N 1 0 362.433 2.195 20 30 FEEDRO COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000299428192 553561852 /nfs/dbraw/zinc/56/18/52/553561852.db2.gz HKFQEYDSFZGZFM-RBUKOAKNSA-N 1 0 356.470 2.343 20 30 FEEDRO CCCCCC(=O)NC1CC[NH+](C[C@H](O)COc2ccc(C#N)cc2)CC1 ZINC000299577512 553583674 /nfs/dbraw/zinc/58/36/74/553583674.db2.gz QNTITJVZKJUNQD-IBGZPJMESA-N 1 0 373.497 2.459 20 30 FEEDRO N#CCC[C@@H](C#N)CN1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000299590634 553585650 /nfs/dbraw/zinc/58/56/50/553585650.db2.gz SWDSYULCLIJVPQ-PMACEKPBSA-N 1 0 366.513 2.359 20 30 FEEDRO CC[NH+](CC)C[C@@H](C)NC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000504440202 561658216 /nfs/dbraw/zinc/65/82/16/561658216.db2.gz AKFYUWDHCWMQRD-QAPCUYQASA-N 1 0 371.485 2.083 20 30 FEEDRO CCN(CC)C(=O)C[N@@H+]1CCCN(c2cc(C#N)nc3ccccc32)CC1 ZINC000301366147 553645763 /nfs/dbraw/zinc/64/57/63/553645763.db2.gz SHFMIGOIAAYMKR-UHFFFAOYSA-N 1 0 365.481 2.487 20 30 FEEDRO C#CCNC(=O)c1ccc(N(C)CC2CCN(c3cc[nH+]cc3)CC2)nc1 ZINC000301942120 553693681 /nfs/dbraw/zinc/69/36/81/553693681.db2.gz VHHVPAXYJGMYMD-UHFFFAOYSA-N 1 0 363.465 2.192 20 30 FEEDRO Cc1ccc(N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)nc1C#N ZINC000302659804 553724616 /nfs/dbraw/zinc/72/46/16/553724616.db2.gz OUABYWLNGXTHMA-UHFFFAOYSA-N 1 0 355.486 2.080 20 30 FEEDRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1c1cc(C#N)c2cc([N+](=O)[O-])ccc2n1 ZINC000302708896 553727468 /nfs/dbraw/zinc/72/74/68/553727468.db2.gz YXXNJRLWSLJZAR-ZDUSSCGKSA-N 1 0 369.425 2.296 20 30 FEEDRO CC1CCN(C(=[NH2+])NCc2ccc(C(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)CC1 ZINC000303257986 553743903 /nfs/dbraw/zinc/74/39/03/553743903.db2.gz KDZUUSFWPCPXBV-IRXDYDNUSA-N 1 0 372.513 2.483 20 30 FEEDRO CC(C)N(C)S(=O)(=O)c1ccc(CNC(=[NH2+])N2CCC(C)CC2)cc1 ZINC000303260497 553743951 /nfs/dbraw/zinc/74/39/51/553743951.db2.gz NHYZWHYYCYURHN-UHFFFAOYSA-N 1 0 366.531 2.262 20 30 FEEDRO CC[C@@H](C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)[NH+](CC)CC ZINC000505668013 561676875 /nfs/dbraw/zinc/67/68/75/561676875.db2.gz COTRCIOJHUTRKO-MSOLQXFVSA-N 1 0 356.470 2.290 20 30 FEEDRO CCCc1noc2nc(CC)cc(C(=O)NC[C@H]3C[N@H+](C)CCN3C)c12 ZINC000328636265 553800097 /nfs/dbraw/zinc/80/00/97/553800097.db2.gz ADDXHMXLTDYKAA-AWEZNQCLSA-N 1 0 359.474 2.288 20 30 FEEDRO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)CNC(=O)C2CCCCC2)CC1 ZINC000328659881 553803694 /nfs/dbraw/zinc/80/36/94/553803694.db2.gz UISRCARLLSRFMY-SFHVURJKSA-N 1 0 364.534 2.152 20 30 FEEDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCN(c2ccc3c(c2)OCCO3)C1=O ZINC000328665652 553804859 /nfs/dbraw/zinc/80/48/59/553804859.db2.gz ZJTXXSAFTUGUAX-HZPDHXFCSA-N 1 0 373.453 2.252 20 30 FEEDRO O=C(Nc1cccc(CN2C(=O)CNC2=O)c1)C1CC[NH+](C2CC2)CC1 ZINC000328696966 553808725 /nfs/dbraw/zinc/80/87/25/553808725.db2.gz LCHXIAJMILJPQW-UHFFFAOYSA-N 1 0 356.426 2.405 20 30 FEEDRO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)N1CCN(C2CC2)C(=O)C1 ZINC000328704398 553809679 /nfs/dbraw/zinc/80/96/79/553809679.db2.gz KOFGUBDQMULTAB-UHFFFAOYSA-N 1 0 370.497 2.393 20 30 FEEDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H]1CCOC2(CCOCC2)C1 ZINC000328706578 553810297 /nfs/dbraw/zinc/81/02/97/553810297.db2.gz LNJVIWCEZNXPQZ-DLBZAZTESA-N 1 0 353.507 2.339 20 30 FEEDRO CS(=O)(=O)[C@H]1CCCN(C(=O)NC2CC[NH+](C3CCCC3)CC2)CC1 ZINC000328718537 553811861 /nfs/dbraw/zinc/81/18/61/553811861.db2.gz PVUADNGECQTITO-KRWDZBQOSA-N 1 0 371.547 2.207 20 30 FEEDRO O=C(CCC(=O)N1CC[NH+](CC2CCOCC2)CC1)NC1CCCC1 ZINC000328787293 553822281 /nfs/dbraw/zinc/82/22/81/553822281.db2.gz OWSKEFDHQUJELE-UHFFFAOYSA-N 1 0 351.491 2.237 20 30 FEEDRO C[C@@H]1CN(C(=O)[C@H](Cc2c[nH]cn2)NC(=O)C2CCCCC2)[C@H](C)CO1 ZINC000328796689 553823505 /nfs/dbraw/zinc/82/35/05/553823505.db2.gz UZQTXYSKUQIBCN-CPUCHLNUSA-N 1 0 362.474 2.493 20 30 FEEDRO CC(C)Cn1ncc(NC(=O)NC[C@@H]2C[N@H+](C)CCN2C)c1C(F)F ZINC000328848937 553832136 /nfs/dbraw/zinc/83/21/36/553832136.db2.gz TVPAVHJXOIOXJZ-GFCCVEGCSA-N 1 0 358.437 2.048 20 30 FEEDRO Cc1noc([C@H](NC(=O)NCC[N@H+]2CCC[C@@H](C)C2)C2CCOCC2)n1 ZINC000329024619 553866967 /nfs/dbraw/zinc/86/69/67/553866967.db2.gz JCMCAOGQSDTVRZ-CZUORRHYSA-N 1 0 365.478 2.081 20 30 FEEDRO CCc1ccccc1OCC(=O)NC1CC[NH+]([C@@H]2CCN(C)C2=O)CC1 ZINC000329152023 553890307 /nfs/dbraw/zinc/89/03/07/553890307.db2.gz BCJWZJZIYAIROR-QGZVFWFLSA-N 1 0 359.470 2.279 20 30 FEEDRO CN1CC[C@H]([NH+]2CCC(NC(=O)COc3ccccc3Cl)CC2)C1=O ZINC000329162458 553893190 /nfs/dbraw/zinc/89/31/90/553893190.db2.gz FZIVJMINSDVDMQ-HNNXBMFYSA-N 1 0 365.861 2.370 20 30 FEEDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)N[C@H](c1cnn(C)c1)C(F)(F)F ZINC000329229239 553906985 /nfs/dbraw/zinc/90/69/85/553906985.db2.gz CKQHRZZEZPHQAJ-MRVWCRGKSA-N 1 0 359.396 2.496 20 30 FEEDRO Cc1cc(NC(=O)N2C[C@@H]3OCCN(C)[C@H]3C2)cnc1N1CCCC[C@@H]1C ZINC000329249232 553910635 /nfs/dbraw/zinc/91/06/35/553910635.db2.gz AREYQKYKHFQLMZ-SZMVWBNQSA-N 1 0 373.501 2.329 20 30 FEEDRO Cn1cncc1[C@H]1[C@H](NC(=O)N2CCCC3(CC3)C2)CCC(=O)N1C1CC1 ZINC000329254522 553911921 /nfs/dbraw/zinc/91/19/21/553911921.db2.gz ZVGOHCPZWUBSQI-CRAIPNDOSA-N 1 0 371.485 2.405 20 30 FEEDRO CCC1(CNC(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CCOCC1 ZINC000329265674 553913301 /nfs/dbraw/zinc/91/33/01/553913301.db2.gz FIVYESGICAIBIP-MSOLQXFVSA-N 1 0 367.534 2.465 20 30 FEEDRO CC1CCC(NS(=O)(=O)CC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000329270028 553914897 /nfs/dbraw/zinc/91/48/97/553914897.db2.gz IPQCWIKAYFXVCA-FJBKBRRZSA-N 1 0 357.520 2.068 20 30 FEEDRO C[C@@H]1C[C@H](C(=O)NC[C@@H]2CN(C(=O)c3ccccc3)[C@H]3CC[N@@H+]2C3)CCO1 ZINC000329284460 553917652 /nfs/dbraw/zinc/91/76/52/553917652.db2.gz OMGOJWUHJYVEJG-OQIJWPOYSA-N 1 0 371.481 2.357 20 30 FEEDRO Cn1nccc1[C@H]1[C@H](NC(=O)CC[C@H]2CCCC[N@@H+]2C)CC(=O)N1C1CC1 ZINC000329287778 553918584 /nfs/dbraw/zinc/91/85/84/553918584.db2.gz HLKBVMIFZZSZTA-AKCHCHLHSA-N 1 0 373.501 2.446 20 30 FEEDRO CC(C)N(CC(=O)N1CCCCCC1)C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000329296671 553919735 /nfs/dbraw/zinc/91/97/35/553919735.db2.gz SZQAZYHOAGPSBI-IAGOWNOFSA-N 1 0 352.523 2.496 20 30 FEEDRO COc1ccc2c(c1)OC[C@H](NC(=O)N1C[C@H]([NH+]3CCCC3)C[C@H]1C)C2 ZINC000329316337 553923741 /nfs/dbraw/zinc/92/37/41/553923741.db2.gz CWVFHVARRSKDSP-DJIMGWMZSA-N 1 0 359.470 2.471 20 30 FEEDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@@H]1[C@@H]1C[C@H](C)CC[C@H]1O ZINC000329325900 553925675 /nfs/dbraw/zinc/92/56/75/553925675.db2.gz WHVXLKZPEWNABO-UJWQCDCRSA-N 1 0 367.534 2.273 20 30 FEEDRO CC(C)c1nnc2n1C[C@@H]([NH+]=C([O-])N1CCC(c3c[nH]cn3)CC1)CC2 ZINC000329343838 553928615 /nfs/dbraw/zinc/92/86/15/553928615.db2.gz QGZPXFSENUBJFQ-AWEZNQCLSA-N 1 0 357.462 2.233 20 30 FEEDRO CC(C)CCNC(=O)[C@@H]1CSCN1C(=O)[C@H](C)N1CCSCC1 ZINC000329355510 553930452 /nfs/dbraw/zinc/93/04/52/553930452.db2.gz FOHHFKFCYQFVLD-KBPBESRZSA-N 1 0 359.561 2.328 20 30 FEEDRO C[C@H](NC(=O)N1CCOC[C@@H]1[C@@H]1CCCO1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000329391435 553937234 /nfs/dbraw/zinc/93/72/34/553937234.db2.gz STNWMZWMNXJXRA-ISARSNTHSA-N 1 0 365.518 2.433 20 30 FEEDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)NCCNC(=O)Cc3cccc(F)c3)[C@@H]2C1 ZINC000329422116 553943604 /nfs/dbraw/zinc/94/36/04/553943604.db2.gz HJNMVOSFZNLVHV-NVXWUHKLSA-N 1 0 362.449 2.265 20 30 FEEDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)Nc3cnn(CC(=O)NC4CCCC4)c3)[C@@H]2C1 ZINC000329433454 553945752 /nfs/dbraw/zinc/94/57/52/553945752.db2.gz KVRLICSAEQSTCB-RHSMWYFYSA-N 1 0 374.489 2.354 20 30 FEEDRO CC(C)C[C@@H]1C[C@H](NC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)CCO1 ZINC000329434020 553945775 /nfs/dbraw/zinc/94/57/75/553945775.db2.gz JDASPFQWMIVJTK-KZNAEPCWSA-N 1 0 353.507 2.148 20 30 FEEDRO C[NH+](C)CC1(CNC(=O)N[C@H]2CCOC3(CCOCC3)C2)CCCC1 ZINC000329440270 553947366 /nfs/dbraw/zinc/94/73/66/553947366.db2.gz ACSJHXAATMBGLW-INIZCTEOSA-N 1 0 353.507 2.340 20 30 FEEDRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2cc(C)n(-c3cccc(C#N)c3)n2)C1 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O=C(NC1CC([NH+]2CCCCC2)C1)c1cnn2c1[nH]c(=O)c1ccccc12 ZINC000330013778 554049621 /nfs/dbraw/zinc/04/96/21/554049621.db2.gz AHKIXHMRIRBFGC-UHFFFAOYSA-N 1 0 365.437 2.497 20 30 FEEDRO C[C@H](CNC(=O)N1CCC(c2nnc3n2CCCC3)CC1)C[NH+]1CCCC1 ZINC000330085858 554062221 /nfs/dbraw/zinc/06/22/21/554062221.db2.gz LUBLEIXIQHNISM-MRXNPFEDSA-N 1 0 374.533 2.440 20 30 FEEDRO C[NH+]1CCC(CCNC(=O)N2CCC(c3nnc4n3CCCC4)CC2)CC1 ZINC000330095193 554063412 /nfs/dbraw/zinc/06/34/12/554063412.db2.gz VAKYZFZDRSBMNS-UHFFFAOYSA-N 1 0 374.533 2.440 20 30 FEEDRO CS[C@@H]1CN(CC(=O)Nc2c(C)nn(C)c2C)C[C@H]1[NH+]1CCCC1 ZINC000330098591 554064027 /nfs/dbraw/zinc/06/40/27/554064027.db2.gz CBYOBWYBVXXQMF-HUUCEWRRSA-N 1 0 351.520 2.137 20 30 FEEDRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N2CC[C@H](N3CCCC3=O)C2)C1 ZINC000330111142 554066813 /nfs/dbraw/zinc/06/68/13/554066813.db2.gz QZOGGQCDKBCPAZ-BBWFWOEESA-N 1 0 364.534 2.354 20 30 FEEDRO CN1C[C@H](NC(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)CC1=O ZINC000330121271 554068546 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CC(C)N1C[C@@H](NC(=O)NC2CC[NH+](C3CCCCC3)CC2)CC1=O ZINC000330277251 554097723 /nfs/dbraw/zinc/09/77/23/554097723.db2.gz NZERRHSBBKLYSM-INIZCTEOSA-N 1 0 350.507 2.296 20 30 FEEDRO Cc1nnc([C@@H](C)NC(=O)N2CC[N@@H+](C3CCOCC3)C[C@H]2C)s1 ZINC000330324245 554105538 /nfs/dbraw/zinc/10/55/38/554105538.db2.gz UAPOWZBHJQINSA-VXGBXAGGSA-N 1 0 353.492 2.007 20 30 FEEDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)N1CCc2c(nnn2-c2ccccc2)C1 ZINC000330345116 554109121 /nfs/dbraw/zinc/10/91/21/554109121.db2.gz DTDVUHCFLSUOIN-SJLPKXTDSA-N 1 0 366.469 2.166 20 30 FEEDRO CC(C)C(=O)NC[C@H]1CCCN(C(=O)NCC[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000330416545 554118649 /nfs/dbraw/zinc/11/86/49/554118649.db2.gz BAVKENBSVFKKGF-IAGOWNOFSA-N 1 0 352.523 2.117 20 30 FEEDRO CCCNC(=O)[C@H]1CCCN(C(=O)NC2CC[NH+](CC(C)C)CC2)C1 ZINC000330471895 554125471 /nfs/dbraw/zinc/12/54/71/554125471.db2.gz CZMVNEPJLPRFGR-INIZCTEOSA-N 1 0 352.523 2.259 20 30 FEEDRO C[NH+](C)C1CCN(CCNC(=O)N[C@@H]2CCO[C@@H](C(C)(C)C)C2)CC1 ZINC000330513621 554132109 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CC(C)CNC(=O)N1CCC[C@H](CC(=O)N2CCC[C@@H]2C[NH+](C)C)C1 ZINC000330932073 554190665 /nfs/dbraw/zinc/19/06/65/554190665.db2.gz WVDUFZHAJDUVQT-IAGOWNOFSA-N 1 0 352.523 2.211 20 30 FEEDRO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CC[C@@H](C(F)(F)F)C2(C)C)CC1 ZINC000330972679 554195488 /nfs/dbraw/zinc/19/54/88/554195488.db2.gz NFQZIZQIMZGWFA-HUUCEWRRSA-N 1 0 374.451 2.342 20 30 FEEDRO C=CCOc1ccc(CNC(=O)NC(C)(C)CC[NH+]2CCN(C)CC2)cc1 ZINC000508452064 561762523 /nfs/dbraw/zinc/76/25/23/561762523.db2.gz SGRIFALOELPQOU-UHFFFAOYSA-N 1 0 374.529 2.467 20 30 FEEDRO COc1cc(NC(=O)N2CC[NH+](CC(C)(C)O)CC2)ccc1OC(C)C ZINC000330999039 554199376 /nfs/dbraw/zinc/19/93/76/554199376.db2.gz PPZCCSAABRNWEO-UHFFFAOYSA-N 1 0 365.474 2.416 20 30 FEEDRO COc1cc(NC(=O)NC[C@@H]2C[N@H+](C)CCN2C)ccc1OC(C)C ZINC000331005887 554200162 /nfs/dbraw/zinc/20/01/62/554200162.db2.gz SIRLTARHXKAFNY-OAHLLOKOSA-N 1 0 350.463 2.054 20 30 FEEDRO CC[N@H+](C)C[C@H]1CCN(C(=O)C2(NC(=O)NC(C)C)CCCCC2)C1 ZINC000331009824 554200621 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358.534 2.336 20 30 FEEDRO C=CCn1c(CC2CCCC2)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000508840707 561774680 /nfs/dbraw/zinc/77/46/80/561774680.db2.gz MHPABZOCAIOJGM-GOSISDBHSA-N 1 0 359.518 2.355 20 30 FEEDRO C=CCn1c(COCC)nnc1N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000508901392 561777431 /nfs/dbraw/zinc/77/74/31/561777431.db2.gz FVQJFJWRPKRGRO-UHFFFAOYSA-N 1 0 363.506 2.082 20 30 FEEDRO C=CCn1c(-c2cccn2C)nnc1N1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000508955796 561779271 /nfs/dbraw/zinc/77/92/71/561779271.db2.gz JWSMUFXYHYPUNU-INIZCTEOSA-N 1 0 370.501 2.159 20 30 FEEDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNS(=O)(=O)Cc2ccc(F)cc2C#N)C1 ZINC000332587124 554476842 /nfs/dbraw/zinc/47/68/42/554476842.db2.gz CMMDEAVZDYNMRL-HUUCEWRRSA-N 1 0 367.490 2.485 20 30 FEEDRO C[C@@H]1CN(C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)CC[C@H]1[NH3+] ZINC000333724263 554636971 /nfs/dbraw/zinc/63/69/71/554636971.db2.gz GYVGWJASITVIEE-LHUBUQBQSA-N 1 0 357.458 2.022 20 30 FEEDRO C=CC[C@@H](C(=O)N1CC[NH+]([C@H]2CCNC(=O)CC2)CC1)c1ccccc1 ZINC000333730699 554637474 /nfs/dbraw/zinc/63/74/74/554637474.db2.gz JUZYMEGTFOUNTD-RTBURBONSA-N 1 0 355.482 2.159 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c(Cl)c1 ZINC000333855419 554649630 /nfs/dbraw/zinc/64/96/30/554649630.db2.gz OMEJGDUUWQWQMQ-HIFRSBDPSA-N 1 0 353.875 2.364 20 30 FEEDRO C=CCOC[C@@H]1NC(=O)N(C[C@@H]2CCCC[N@@H+]2Cc2ccccc2)C1=O ZINC000348456904 554685566 /nfs/dbraw/zinc/68/55/66/554685566.db2.gz CFGGMYVOGDIYMQ-ROUUACIJSA-N 1 0 357.454 2.164 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)c2ccc(Br)cc2)CC1 ZINC000511147077 561859049 /nfs/dbraw/zinc/85/90/49/561859049.db2.gz RLNLPPNHUDLCGG-UHFFFAOYSA-N 1 0 351.244 2.398 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1c1nc(-c2ccccc2CN2CCC[C@H]2C(N)=O)no1 ZINC000351125613 554838349 /nfs/dbraw/zinc/83/83/49/554838349.db2.gz XVDKVZZUSDHPJL-IKGGRYGDSA-N 1 0 368.437 2.245 20 30 FEEDRO C=CCOc1ccc(C[NH2+]C[C@@H]2CCC[C@]23NC(=O)N(C)C3=O)cc1OC ZINC000360021279 554859829 /nfs/dbraw/zinc/85/98/29/554859829.db2.gz NFEPLRFOXMSTDY-YWZLYKJASA-N 1 0 373.453 2.070 20 30 FEEDRO CCN1C(=O)N=NC1C1CC[NH+](CCC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000360900332 554894382 /nfs/dbraw/zinc/89/43/82/554894382.db2.gz ITVCQPNJBUQZFK-UHFFFAOYSA-N 1 0 368.441 2.083 20 30 FEEDRO C=C(C)[C@H](CC(=O)N1CCC(CC[NH+]2CCN(C)CC2)CC1)OCC ZINC000361192869 554909654 /nfs/dbraw/zinc/90/96/54/554909654.db2.gz XXHIJTSJBIKBON-IBGZPJMESA-N 1 0 351.535 2.234 20 30 FEEDRO Cc1cc(C#N)ccc1C(=O)N1CCC(CC[NH+]2CCN(C)CC2)CC1 ZINC000361278840 554914331 /nfs/dbraw/zinc/91/43/31/554914331.db2.gz QLIYDRCJWLXBPU-UHFFFAOYSA-N 1 0 354.498 2.356 20 30 FEEDRO C=CCc1cc(C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc(OC)c1OC ZINC000363102122 555030674 /nfs/dbraw/zinc/03/06/74/555030674.db2.gz ZGSCCNSPZBEKGY-IRXDYDNUSA-N 1 0 360.454 2.025 20 30 FEEDRO C=CCOc1ccc(C(=O)N2CCC[N@@H+](CCCOC)CC2)cc1OC ZINC000363190867 555049818 /nfs/dbraw/zinc/04/98/18/555049818.db2.gz MVNULMSWWLIKNM-UHFFFAOYSA-N 1 0 362.470 2.444 20 30 FEEDRO Cc1cc(N2CCC([N@@H+](C)CC(=O)N[C@@](C)(C#N)C(C)C)CC2)nc(C)n1 ZINC000363349743 555083548 /nfs/dbraw/zinc/08/35/48/555083548.db2.gz RNYKAGBYCKXEME-FQEVSTJZSA-N 1 0 372.517 2.049 20 30 FEEDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCN(c2cccc(F)c2C#N)CC1 ZINC000511903335 561884717 /nfs/dbraw/zinc/88/47/17/561884717.db2.gz AFVWHDTVAZCCDD-INIZCTEOSA-N 1 0 373.476 2.403 20 30 FEEDRO CC(C)(C#N)c1ccc(NC(=O)C(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000363440709 555106135 /nfs/dbraw/zinc/10/61/35/555106135.db2.gz CQBNAWYEHSXNRK-QGZVFWFLSA-N 1 0 354.454 2.123 20 30 FEEDRO CN1CC[NH+](C[C@H]2CCCN(C(=O)CSc3ccc(C#N)cc3)C2)CC1 ZINC000363672025 555160475 /nfs/dbraw/zinc/16/04/75/555160475.db2.gz MESQNRFHDDXUJN-GOSISDBHSA-N 1 0 372.538 2.136 20 30 FEEDRO N#Cc1cc(NC(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)ccc1N1CCC(O)CC1 ZINC000364090482 555247557 /nfs/dbraw/zinc/24/75/57/555247557.db2.gz NIKYQEYHOJGAOZ-AEFFLSMTSA-N 1 0 368.481 2.332 20 30 FEEDRO CC(C)[C@@H](CNC(=O)C1(c2cc(F)cc(C#N)c2)CC1)[NH+]1CCN(C)CC1 ZINC000512298669 561899064 /nfs/dbraw/zinc/89/90/64/561899064.db2.gz HPYSMTHSMQBWJT-LJQANCHMSA-N 1 0 372.488 2.117 20 30 FEEDRO C=CCN(C(=O)NCc1nc(C)no1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000364282356 555284005 /nfs/dbraw/zinc/28/40/05/555284005.db2.gz WLPITSUXROHUHM-KRWDZBQOSA-N 1 0 355.442 2.350 20 30 FEEDRO COCc1nccc([C@@H]2CCC[N@H+](C[C@@H](O)c3ccc(C#N)cc3)C2)n1 ZINC000364406236 555307396 /nfs/dbraw/zinc/30/73/96/555307396.db2.gz RTZCAFNFMUGKPA-IEBWSBKVSA-N 1 0 352.438 2.408 20 30 FEEDRO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC[C@]2(C1)c1ccccc1NC2=O ZINC000364434589 555313555 /nfs/dbraw/zinc/31/35/55/555313555.db2.gz NNPZYNIIESYWPF-BTYIYWSLSA-N 1 0 366.465 2.313 20 30 FEEDRO CC(C)(C)C(=O)N1CCC[N@H+](CCC(=O)Nc2ccccc2C#N)CC1 ZINC000364595624 555348496 /nfs/dbraw/zinc/34/84/96/555348496.db2.gz POIDHUDFHDYKKZ-UHFFFAOYSA-N 1 0 356.470 2.467 20 30 FEEDRO CCC[NH+]1CCC(N2CCN(c3nc4ccccn4c3C#N)CC2)CC1 ZINC000364690596 555375733 /nfs/dbraw/zinc/37/57/33/555375733.db2.gz LXXSONQJIMRLRF-UHFFFAOYSA-N 1 0 352.486 2.202 20 30 FEEDRO CN1CC[NH+](CC2(C)CCN(C(=O)Nc3ccc(C#N)cc3)CC2)CC1 ZINC000364709968 555381793 /nfs/dbraw/zinc/38/17/93/555381793.db2.gz MJPXSHUYGYSVPQ-UHFFFAOYSA-N 1 0 355.486 2.440 20 30 FEEDRO CC[NH+](CC)C[C@@H](C)NC(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 ZINC000512605821 561910187 /nfs/dbraw/zinc/91/01/87/561910187.db2.gz IFBNTRMYKDORAA-MJGOQNOKSA-N 1 0 357.502 2.136 20 30 FEEDRO COC(=O)CN1CCC[N@H+](Cc2cccn2Cc2ccccc2C#N)CC1 ZINC000364847994 555414406 /nfs/dbraw/zinc/41/44/06/555414406.db2.gz PMOVBDHAGIKCRA-UHFFFAOYSA-N 1 0 366.465 2.089 20 30 FEEDRO C=CCN(CC=C)C(=O)C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000512745854 561913896 /nfs/dbraw/zinc/91/38/96/561913896.db2.gz XBDAJIPYKHBOPL-RDJZCZTQSA-N 1 0 361.511 2.448 20 30 FEEDRO C=CCN(CC=C)C(=O)C[NH2+][C@@H]1CCN(Cc2cnc(C)s2)C[C@H]1C ZINC000364913563 555435314 /nfs/dbraw/zinc/43/53/14/555435314.db2.gz GVDUKANILBOPNN-CRAIPNDOSA-N 1 0 362.543 2.452 20 30 FEEDRO COc1ccc(C[NH2+][C@@H](C)C2(S(C)(=O)=O)CC2)cc1OCCCC#N ZINC000512903871 561919632 /nfs/dbraw/zinc/91/96/32/561919632.db2.gz IQUFVPGRNGQJDA-AWEZNQCLSA-N 1 0 366.483 2.433 20 30 FEEDRO COCCNC(=O)c1c[nH]nc1[C@H]1CCCN(CC#Cc2ccccc2)C1 ZINC000365253342 555523414 /nfs/dbraw/zinc/52/34/14/555523414.db2.gz DQAJHMFBAYJJPK-SFHVURJKSA-N 1 0 366.465 2.017 20 30 FEEDRO C#CCOc1ccc(C(=O)N(C)C2CC[NH+](C3CCOCC3)CC2)cc1 ZINC000365536914 555602427 /nfs/dbraw/zinc/60/24/27/555602427.db2.gz NMSCJMJKFAQYQU-UHFFFAOYSA-N 1 0 356.466 2.414 20 30 FEEDRO C[N@@H+]1C[C@@H]2CN(C(=O)C(=O)Nc3ccc(C#N)cc3)C[C@H]2[C@@H]1c1ccccc1 ZINC000365689702 555641292 /nfs/dbraw/zinc/64/12/92/555641292.db2.gz AUWJWNVKSBTJBV-RLLQIKCJSA-N 1 0 374.444 2.258 20 30 FEEDRO Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)NCC[N@H+]3CCC[C@@H](C)C3)C2)n1 ZINC000365751291 555659515 /nfs/dbraw/zinc/65/95/15/555659515.db2.gz JDYRDCGQVIXOKN-VQIMIIECSA-N 1 0 369.513 2.326 20 30 FEEDRO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCC[C@@H](C(=O)Nc2ncccc2C)C1 ZINC000365792711 555668623 /nfs/dbraw/zinc/66/86/23/555668623.db2.gz PDDRGGYYGHCMDM-NVXWUHKLSA-N 1 0 371.485 2.049 20 30 FEEDRO N#Cc1ccc(Cl)cc1NC(=O)CN1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000365893912 555694676 /nfs/dbraw/zinc/69/46/76/555694676.db2.gz RBNBLYPHFMFNGO-OAHLLOKOSA-N 1 0 364.902 2.273 20 30 FEEDRO CC[C@](C)(C#N)C(=O)N1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000513570430 561943142 /nfs/dbraw/zinc/94/31/42/561943142.db2.gz CIPCFOQBFDINAL-HXUWFJFHSA-N 1 0 358.486 2.215 20 30 FEEDRO CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000366148596 555765039 /nfs/dbraw/zinc/76/50/39/555765039.db2.gz ZMHDACKQWORXQR-HNNXBMFYSA-N 1 0 371.485 2.186 20 30 FEEDRO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@@H](NC(=O)C(C)C)C1 ZINC000513821413 561951575 /nfs/dbraw/zinc/95/15/75/561951575.db2.gz IKWGGLVCENYCOL-RTBURBONSA-N 1 0 360.498 2.391 20 30 FEEDRO Cc1ccccc1CN(C)C(=O)[C@H](C)[NH+]1CCC(n2cnc(C#N)n2)CC1 ZINC000366376833 555826193 /nfs/dbraw/zinc/82/61/93/555826193.db2.gz FFQCDRVIAWURCK-INIZCTEOSA-N 1 0 366.469 2.142 20 30 FEEDRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2C(=O)CSc1ccc(C#N)cc1 ZINC000366437863 555843726 /nfs/dbraw/zinc/84/37/26/555843726.db2.gz LUSSENYOPLNUQP-BPQIPLTHSA-N 1 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CN(CCC#N)c1ccc(CN2CCC[C@H]2C[N@@H+]2CCC[C@H]2CO)cc1 ZINC000367467115 556057800 /nfs/dbraw/zinc/05/78/00/556057800.db2.gz IJWPFMHFPARARN-SFTDATJTSA-N 1 0 356.514 2.458 20 30 FEEDRO COCC[N@H+]([C@H]1CCO[C@@H]1C)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000514838989 561982511 /nfs/dbraw/zinc/98/25/11/561982511.db2.gz UDCJNTVWYLZFIA-AYOQOUSVSA-N 1 0 357.454 2.179 20 30 FEEDRO CCc1nc(CN2CCC(CNc3nc(C)cc(C#N)n3)CC2)cs1 ZINC000367716071 556122035 /nfs/dbraw/zinc/12/20/35/556122035.db2.gz NKRPUMDVBAGBCE-UHFFFAOYSA-N 1 0 356.499 3.000 20 30 FEEDRO N#Cc1ccc(N2CC[C@@H](C(=O)N3CCC[N@@H+]4CCC[C@@H]4C3)C2)c(F)c1 ZINC000367721691 556123182 /nfs/dbraw/zinc/12/31/82/556123182.db2.gz RFPRSFIPAOOIEP-IAGOWNOFSA-N 1 0 356.445 2.220 20 30 FEEDRO C[C@H]1C[C@H](C)C[NH+](C2CCN(S(=O)(=O)c3ccc(C#N)o3)CC2)C1 ZINC000367745430 556128394 /nfs/dbraw/zinc/12/83/94/556128394.db2.gz FKQFJRYTIFDROC-KBPBESRZSA-N 1 0 351.472 2.282 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)NC2(c3noc(C(F)F)n3)CCC2)CC1 ZINC000368191885 556244097 /nfs/dbraw/zinc/24/40/97/556244097.db2.gz CTPDVUXIHKDPPT-UHFFFAOYSA-N 1 0 355.389 2.336 20 30 FEEDRO C[NH+](C)Cc1ccccc1C(=O)N1CCCN(c2ncccc2C#N)CC1 ZINC000368281846 556266918 /nfs/dbraw/zinc/26/69/18/556266918.db2.gz WYVSPVOIKUXBDM-UHFFFAOYSA-N 1 0 363.465 2.367 20 30 FEEDRO N#C[C@H](c1ccccc1)N1CCN(C(=O)CSCC2CC[NH2+]CC2)CC1 ZINC000515349942 562006446 /nfs/dbraw/zinc/00/64/46/562006446.db2.gz IKAZZEBFHOOIKE-LJQANCHMSA-N 1 0 372.538 2.128 20 30 FEEDRO CC(C)(C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1)c1cc(F)cc(C#N)c1 ZINC000368612054 556362191 /nfs/dbraw/zinc/36/21/91/556362191.db2.gz GADZRXQRKVUEHT-SFHVURJKSA-N 1 0 359.445 2.344 20 30 FEEDRO N#Cc1ccc(N2CCN(C(=O)N[C@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)c(F)c1 ZINC000368884662 556438564 /nfs/dbraw/zinc/43/85/64/556438564.db2.gz VSDKANBUGWCIRN-IRXDYDNUSA-N 1 0 371.460 2.156 20 30 FEEDRO N#Cc1ccc(N2CCN(C(=O)N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)c(F)c1 ZINC000368884660 556438601 /nfs/dbraw/zinc/43/86/01/556438601.db2.gz VSDKANBUGWCIRN-DLBZAZTESA-N 1 0 371.460 2.156 20 30 FEEDRO N#Cc1cccnc1OC1CCC(NC(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000515620860 562017510 /nfs/dbraw/zinc/01/75/10/562017510.db2.gz MRSMWZOICGPSAJ-DVHLICQRSA-N 1 0 371.485 2.460 20 30 FEEDRO N#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000369013355 556476388 /nfs/dbraw/zinc/47/63/88/556476388.db2.gz ZIFSIPDQKYRACC-INIZCTEOSA-N 1 0 368.397 2.329 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)[C@@H]2CCN(c3ccc(C)c(C)c3)C2=O)CC1 ZINC000369040179 556486231 /nfs/dbraw/zinc/48/62/31/556486231.db2.gz CEUVKJQPUQYRJK-IBGZPJMESA-N 1 0 355.482 2.423 20 30 FEEDRO CCN(C[C@@H](C)C#N)S(=O)(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000369106337 556506718 /nfs/dbraw/zinc/50/67/18/556506718.db2.gz HJQZKGNDTBZJSU-AOCRQIFASA-N 1 0 370.563 2.345 20 30 FEEDRO CC[NH+](CC)Cc1ccccc1CNC(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000369231371 556542984 /nfs/dbraw/zinc/54/29/84/556542984.db2.gz MASWVOXBUSDIMX-HXUWFJFHSA-N 1 0 369.513 2.410 20 30 FEEDRO COc1ccc([C@@H]2[C@@H](CNS(=O)(=O)CCCC#N)CCC[N@@H+]2C)cc1 ZINC000369341720 556574668 /nfs/dbraw/zinc/57/46/68/556574668.db2.gz GBUUUQUHTLICRB-SJLPKXTDSA-N 1 0 365.499 2.301 20 30 FEEDRO C=CCOc1ccccc1CNC(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000369392461 556588660 /nfs/dbraw/zinc/58/86/60/556588660.db2.gz AIEICOMPFPASPT-LJQANCHMSA-N 1 0 372.513 2.173 20 30 FEEDRO C=CCC[C@@H](CC)[NH2+]C[C@@H]1CCn2ncc(C(=O)N3CCN(C)CC3)c2C1 ZINC000369515483 556617070 /nfs/dbraw/zinc/61/70/70/556617070.db2.gz JPGWFMWGOHJXCJ-QZTJIDSGSA-N 1 0 373.545 2.168 20 30 FEEDRO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)C[C@H]1CCCc2sc(C)nc21 ZINC000369556391 556630426 /nfs/dbraw/zinc/63/04/26/556630426.db2.gz LTZWGUOGMFQYNH-DGCLKSJQSA-N 1 0 350.488 2.204 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)CN2c3ccsc3CCCC2=O)CC1 ZINC000369591017 556641030 /nfs/dbraw/zinc/64/10/30/556641030.db2.gz HYGVDVGCZQJKDE-UHFFFAOYSA-N 1 0 359.495 2.021 20 30 FEEDRO N#Cc1cccc(-n2ccc(C(=O)N3CC[C@@H](Oc4ccncc4)C3)n2)c1 ZINC000369740927 556682309 /nfs/dbraw/zinc/68/23/09/556682309.db2.gz UOFABVQBZDSNOV-GOSISDBHSA-N 1 0 359.389 2.432 20 30 FEEDRO C[C@H]1CN(Cc2cn3ccccc3c2C#N)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000369767020 556689001 /nfs/dbraw/zinc/68/90/01/556689001.db2.gz PKJUHFNXMRDZKC-PXNSSMCTSA-N 1 0 351.498 2.269 20 30 FEEDRO CC(C)S(=O)(=O)N1CCC([NH2+][C@@H]2CCC[C@@H]3O[C@H](CC#N)C[C@H]32)CC1 ZINC000369853889 556712927 /nfs/dbraw/zinc/71/29/27/556712927.db2.gz SPNXPYIJDCPOJO-XDNAFOTISA-N 1 0 369.531 2.018 20 30 FEEDRO C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1NC(=O)NCCc1cccc(C#N)c1 ZINC000369873670 556718365 /nfs/dbraw/zinc/71/83/65/556718365.db2.gz MOEGGCXBTQMTDH-NSISKUIASA-N 1 0 370.497 2.289 20 30 FEEDRO CC[N@@H+]1CCc2c(cccc2NC(=O)C(=O)N(CCC#N)CC2CC2)C1 ZINC000369930389 556733896 /nfs/dbraw/zinc/73/38/96/556733896.db2.gz MDBPVKRRJUBJFO-UHFFFAOYSA-N 1 0 354.454 2.155 20 30 FEEDRO CC[NH+](CC)[C@H]1CCN(C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)C1 ZINC000369998936 556753590 /nfs/dbraw/zinc/75/35/90/556753590.db2.gz QBSLNUKWVWQDSZ-HNNXBMFYSA-N 1 0 370.432 2.831 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)[C@H]2CC(=O)N([C@H](C)c3ccccc3)C2)CC1 ZINC000370015013 556758460 /nfs/dbraw/zinc/75/84/60/556758460.db2.gz BFAYNPGKODYWHJ-MJGOQNOKSA-N 1 0 367.493 2.200 20 30 FEEDRO N#Cc1ccc(NC(=O)C(=O)N2CCC[C@H]([NH+]3CCCCCC3)C2)cc1 ZINC000370119391 556785817 /nfs/dbraw/zinc/78/58/17/556785817.db2.gz HSNRPBGVFTXGDJ-SFHVURJKSA-N 1 0 354.454 2.364 20 30 FEEDRO CCOc1cc(C[NH+]2CCC(n3cnc(C#N)n3)CC2)ccc1[N+](=O)[O-] ZINC000370132030 556789417 /nfs/dbraw/zinc/78/94/17/556789417.db2.gz MNPPWPFHOUJOFP-UHFFFAOYSA-N 1 0 356.386 2.294 20 30 FEEDRO N#Cc1ccsc1N1CC[C@H](N2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@H]3C2)C1=O ZINC000370236648 556818574 /nfs/dbraw/zinc/81/85/74/556818574.db2.gz SXLOBHNUWGUWMO-NXOAAHMSSA-N 1 0 356.495 2.141 20 30 FEEDRO C=C(C)Cn1c(-c2cnn(C)c2)nnc1N1CC[N@@H+]([C@@H]2C[C@@H]2C)C[C@@H](C)C1 ZINC000516719375 562055657 /nfs/dbraw/zinc/05/56/57/562055657.db2.gz UVQROPRDQVKTBE-SOLBZPMBSA-N 1 0 369.517 2.421 20 30 FEEDRO N#Cc1cccc(OC2CCN(C(=O)NCCC3=CC[NH2+]CC3)CC2)c1 ZINC000516750275 562056258 /nfs/dbraw/zinc/05/62/58/562056258.db2.gz GIABKMZLXNPZDG-UHFFFAOYSA-N 1 0 354.454 2.421 20 30 FEEDRO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC[C@@]2(C1)CCCN(C)C2=O ZINC000370406489 556863176 /nfs/dbraw/zinc/86/31/76/556863176.db2.gz NAIMLEDDNVUBEH-DYESRHJHSA-N 1 0 368.481 2.266 20 30 FEEDRO C=CCC[C@@H](O)C[NH+]1CCC([C@H]2CCCCCN2C(=O)COC)CC1 ZINC000370487427 556887467 /nfs/dbraw/zinc/88/74/67/556887467.db2.gz DOYYBKIVUOHTQP-RTBURBONSA-N 1 0 352.519 2.443 20 30 FEEDRO C#CCNC(=O)C1CC[NH+](CC(=O)N2CCc3sccc3[C@@H]2CC)CC1 ZINC000370797280 556971852 /nfs/dbraw/zinc/97/18/52/556971852.db2.gz UQLZEYPVVKRBRM-KRWDZBQOSA-N 1 0 373.522 2.045 20 30 FEEDRO CN(C(=O)CSc1ccc(C#N)cc1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000370819554 556978480 /nfs/dbraw/zinc/97/84/80/556978480.db2.gz LCILMJXPQIDPGS-GOSISDBHSA-N 1 0 372.538 2.277 20 30 FEEDRO CC(C)Oc1ccc(NC(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1C#N ZINC000370910043 557011543 /nfs/dbraw/zinc/01/15/43/557011543.db2.gz YTFFKVPCQDDSSY-IAGOWNOFSA-N 1 0 358.442 2.330 20 30 FEEDRO CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)Nc2cccc(CC#N)c2)CC1=O ZINC000517014118 562071070 /nfs/dbraw/zinc/07/10/70/562071070.db2.gz IVUINMMPQUUSMJ-WMZOPIPTSA-N 1 0 354.454 2.024 20 30 FEEDRO CC[NH+]1CCC(N2CCCN(C(=O)NCc3ccc(C#N)cc3)CC2)CC1 ZINC000517023836 562071822 /nfs/dbraw/zinc/07/18/22/562071822.db2.gz IUJFGQAOSMGDON-UHFFFAOYSA-N 1 0 369.513 2.260 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@@H]1CCO[C@@]2(CCOC2)C1)C(C)C ZINC000371431139 557185318 /nfs/dbraw/zinc/18/53/18/557185318.db2.gz MWDPYIHEMPPIGH-GGPKGHCWSA-N 1 0 365.518 2.322 20 30 FEEDRO C=CCN(C(=O)c1ccc(C(N)=O)cn1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000371590451 557232164 /nfs/dbraw/zinc/23/21/64/557232164.db2.gz NKRMTDIVFNSRFW-GOSISDBHSA-N 1 0 364.449 2.083 20 30 FEEDRO COC1CC[NH+](C(C)(C)CNC(=O)[C@H](C)Oc2ccc(C#N)cc2)CC1 ZINC000518080093 562104056 /nfs/dbraw/zinc/10/40/56/562104056.db2.gz AEEKTHNVNTWOLJ-HNNXBMFYSA-N 1 0 359.470 2.331 20 30 FEEDRO C[C@H](C#N)Oc1ccccc1NC(=O)N1CCC[C@@H]1C[N@@H+]1CCC[C@@H]1CO ZINC000371609049 557238885 /nfs/dbraw/zinc/23/88/85/557238885.db2.gz UGQVQQDIRFXXFH-BRWVUGGUSA-N 1 0 372.469 2.430 20 30 FEEDRO O=C(NCC1CC[NH2+]CC1)C(=O)Nc1ccccc1C#Cc1ccccc1 ZINC000517894406 562100099 /nfs/dbraw/zinc/10/00/99/562100099.db2.gz RGYAEBGFLPUDDP-UHFFFAOYSA-N 1 0 361.445 2.141 20 30 FEEDRO C[C@@H]1C[C@H](CCNC2=[NH+]C[C@@H]3CN(C(=O)OC(C)(C)C)CCN23)CCO1 ZINC000371714902 557272526 /nfs/dbraw/zinc/27/25/26/557272526.db2.gz IFJKEUJDQRPMOE-BZUAXINKSA-N 1 0 366.506 2.072 20 30 FEEDRO COCC[NH+](CCOC)C1CCN(C(=O)c2ccc(C#N)cc2C)CC1 ZINC000518582864 562114751 /nfs/dbraw/zinc/11/47/51/562114751.db2.gz BMDKVTMDSBIXNB-UHFFFAOYSA-N 1 0 359.470 2.066 20 30 FEEDRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000518870260 562120004 /nfs/dbraw/zinc/12/00/04/562120004.db2.gz AZLUIWCIENLCGC-SOLBZPMBSA-N 1 0 371.485 2.379 20 30 FEEDRO C=CCN(C(=O)NCCc1cnccn1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000372487061 557483958 /nfs/dbraw/zinc/48/39/58/557483958.db2.gz MKOJTYRDUKWNIL-HXUWFJFHSA-N 1 0 365.481 2.491 20 30 FEEDRO CCN(C[C@H](C)C#N)C(=O)CN(C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000372525794 557493406 /nfs/dbraw/zinc/49/34/06/557493406.db2.gz YDLVFCFYLQNBPD-KPFFTGBYSA-N 1 0 357.502 2.014 20 30 FEEDRO O=C1NCCN1[C@@H]1CCCN(CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000372768833 557558895 /nfs/dbraw/zinc/55/88/95/557558895.db2.gz WQVSHGQUTFFHPL-OAHLLOKOSA-N 1 0 367.371 2.426 20 30 FEEDRO N#Cc1ccccc1NC(=O)CCN1CCn2c(nnc2-c2cccnc2)C1 ZINC000372780249 557561183 /nfs/dbraw/zinc/56/11/83/557561183.db2.gz JXMQPHUHVBCCLT-UHFFFAOYSA-N 1 0 373.420 2.056 20 30 FEEDRO COc1ccc2c(c1)[C@H]([NH3+])CCN2S(=O)(=O)Cc1cccc(C#N)c1 ZINC000373171917 557643229 /nfs/dbraw/zinc/64/32/29/557643229.db2.gz DMRGMNIOTKZVMO-QGZVFWFLSA-N 1 0 357.435 2.307 20 30 FEEDRO C=CCc1cc(C[NH+]2CCC(n3cnc(C#N)n3)CC2)cc(OC)c1O ZINC000373468959 557699299 /nfs/dbraw/zinc/69/92/99/557699299.db2.gz LMAGCBXQBTYHQT-UHFFFAOYSA-N 1 0 353.426 2.430 20 30 FEEDRO CC[C@@H](CNC(=O)[C@H]1CCC(=O)N1Cc1cccc(C#N)c1)[NH+]1CCCC1 ZINC000373708604 557742959 /nfs/dbraw/zinc/74/29/59/557742959.db2.gz PYFDRCQKYLUVAX-RBUKOAKNSA-N 1 0 368.481 2.040 20 30 FEEDRO C#CCNC(=O)[C@H](C)[NH+]1CCC([C@@H]2c3ccc(Cl)cc3NC2=O)CC1 ZINC000373984177 557801060 /nfs/dbraw/zinc/80/10/60/557801060.db2.gz YIATYIJWDWZWBE-YVEFUNNKSA-N 1 0 359.857 2.226 20 30 FEEDRO C[NH+]1CCC(C#N)(NC(=O)CSc2ccc(C(F)(F)F)cn2)CC1 ZINC000520711463 562162049 /nfs/dbraw/zinc/16/20/49/562162049.db2.gz HGYCJNIRMORWSX-UHFFFAOYSA-N 1 0 358.389 2.297 20 30 FEEDRO COc1cccc2c1C[C@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)C2 ZINC000521031295 562168048 /nfs/dbraw/zinc/16/80/48/562168048.db2.gz ZFORKVROARQJDX-MRXNPFEDSA-N 1 0 356.447 2.098 20 30 FEEDRO COc1ccnc(N2CCC[N@H+](Cc3ccc(C#N)c(OC)c3)CC2)n1 ZINC000374208238 557843465 /nfs/dbraw/zinc/84/34/65/557843465.db2.gz YKHSIRNHWPCZJH-UHFFFAOYSA-N 1 0 353.426 2.078 20 30 FEEDRO Cn1cc([C@H](O)C[C@@H]2CCC[N@@H+]2Cc2cnc3ccc(C#N)cn23)cn1 ZINC000374259175 557853397 /nfs/dbraw/zinc/85/33/97/557853397.db2.gz ZKJJGIXCAZLHPO-FUHWJXTLSA-N 1 0 350.426 2.028 20 30 FEEDRO N#Cc1ccc2ncc(C[N@H+]3CCC[C@H](C(=O)N4CCCCC4)C3)n2c1 ZINC000374306836 557862972 /nfs/dbraw/zinc/86/29/72/557862972.db2.gz BGZUDLKDDNBQFL-KRWDZBQOSA-N 1 0 351.454 2.430 20 30 FEEDRO N#Cc1ccc2ncc(C[N@H+]3CCC[C@@H](C(=O)N4CCCCC4)C3)n2c1 ZINC000374306838 557863023 /nfs/dbraw/zinc/86/30/23/557863023.db2.gz BGZUDLKDDNBQFL-QGZVFWFLSA-N 1 0 351.454 2.430 20 30 FEEDRO COc1cccc(OCCN2C[C@@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)c1 ZINC000374390454 557877334 /nfs/dbraw/zinc/87/73/34/557877334.db2.gz WLMBVWNAIMOFOD-VFNWGFHPSA-N 1 0 363.417 2.419 20 30 FEEDRO N#Cc1ccc(CN2CCC([NH2+][C@@H]3CC(=O)N4CCCC[C@@H]34)CC2)cc1 ZINC000374503957 557892369 /nfs/dbraw/zinc/89/23/69/557892369.db2.gz KFNZNVQOYWRSRD-UXHICEINSA-N 1 0 352.482 2.266 20 30 FEEDRO C[C@H](CC#N)N(C)S(=O)(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000374587958 557903163 /nfs/dbraw/zinc/90/31/63/557903163.db2.gz YKVTVWCOLWYRDP-ZACQAIPSSA-N 1 0 356.536 2.052 20 30 FEEDRO N#Cc1ccc(N2CCC[C@@H]([NH+]3CCC(c4nnc[nH]4)CC3)C2=O)cc1 ZINC000374899148 557948117 /nfs/dbraw/zinc/94/81/17/557948117.db2.gz VAFNWFHHBXJSIU-QGZVFWFLSA-N 1 0 350.426 2.051 20 30 FEEDRO C=CCc1ccc(OC[C@H](O)CN2CC[C@H]3CC[N@H+](C)[C@H]3C2)c(OC)c1 ZINC000375028310 557966556 /nfs/dbraw/zinc/96/65/56/557966556.db2.gz CFOVCQMEYJXRGQ-QRVBRYPASA-N 1 0 360.498 2.189 20 30 FEEDRO C(#CC[N@@H+]1CCC[C@@H](n2cccn2)C1)CN1CCC[C@@H](n2cccn2)C1 ZINC000375386546 558019151 /nfs/dbraw/zinc/01/91/51/558019151.db2.gz IQQNJXLYWCWPFO-WOJBJXKFSA-N 1 0 352.486 2.057 20 30 FEEDRO C[C@H]([NH2+][C@H]1CCCC[C@@H]1N1CCOCC1)C(=O)Nc1ccccc1C#N ZINC000375474700 558033794 /nfs/dbraw/zinc/03/37/94/558033794.db2.gz RTARFHOFDDVUJA-SNRMKQJTSA-N 1 0 356.470 2.118 20 30 FEEDRO COC(=O)C[C@@H]1CC[C@H]([NH2+]C2CCN(c3ccc(C#N)cn3)CC2)[C@H]1C ZINC000375675162 558065732 /nfs/dbraw/zinc/06/57/32/558065732.db2.gz CVXFYBMSTKNJSM-ZVZYQTTQSA-N 1 0 356.470 2.489 20 30 FEEDRO C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1Nc1cc(N)c([N+](=O)[O-])c(C#N)c1 ZINC000376175336 558136982 /nfs/dbraw/zinc/13/69/82/558136982.db2.gz VYONAFTYOKXECS-SRCQZFHVSA-N 1 0 359.430 2.350 20 30 FEEDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1cccc(Cl)c1C#N ZINC000376349634 558161557 /nfs/dbraw/zinc/16/15/57/558161557.db2.gz JCOSBSVMSZBBQC-IUODEOHRSA-N 1 0 353.875 2.459 20 30 FEEDRO C[NH+](C)CCN(CC(=O)OC(C)(C)C)C(=O)CCc1ccc(C#N)cc1 ZINC000522313352 562196919 /nfs/dbraw/zinc/19/69/19/562196919.db2.gz TYULUFLRUGGVLT-UHFFFAOYSA-N 1 0 359.470 2.223 20 30 FEEDRO CN1CC[C@H]([NH2+]CC(=O)N[C@@](C)(C#N)C2CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000377650368 558386833 /nfs/dbraw/zinc/38/68/33/558386833.db2.gz MDQJIXYGGOSHMX-WDSOQIARSA-N 1 0 360.889 2.483 20 30 FEEDRO CN1CC[C@@H]([NH2+]CC(=O)NC2(C#N)CCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000377676743 558394146 /nfs/dbraw/zinc/39/41/46/558394146.db2.gz QDDQQXHWQDUROT-WBVHZDCISA-N 1 0 364.852 2.376 20 30 FEEDRO N#Cc1cccc(S(=O)(=O)CCN2CC3(CCC3)[C@H]2[C@H]2CCCO2)c1 ZINC000377768797 558416058 /nfs/dbraw/zinc/41/60/58/558416058.db2.gz SDKLLVKVSZJYOG-QZTJIDSGSA-N 1 0 360.479 2.365 20 30 FEEDRO COc1ccc(C[NH2+][C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)cc1OCCCC#N ZINC000377838095 558432528 /nfs/dbraw/zinc/43/25/28/558432528.db2.gz VNXWQAILRGCQND-DJIMGWMZSA-N 1 0 357.454 2.477 20 30 FEEDRO CCc1nc(CN2C[C@@H]3C[NH+](CC#Cc4ccc(F)cc4)C[C@H]3C2)no1 ZINC000378221219 558505294 /nfs/dbraw/zinc/50/52/94/558505294.db2.gz WWVXQXZDDKKMSF-IRXDYDNUSA-N 1 0 354.429 2.186 20 30 FEEDRO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CC[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000378459544 558562706 /nfs/dbraw/zinc/56/27/06/558562706.db2.gz UAQWJEUSAZPSTG-JTDSTZFVSA-N 1 0 358.461 2.487 20 30 FEEDRO Cn1cc(C[NH2+][C@H]2CCO[C@@]3(CCOC3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000378486736 558567790 /nfs/dbraw/zinc/56/77/90/558567790.db2.gz WMJGPTAWZFAQLR-ICSRJNTNSA-N 1 0 352.438 2.386 20 30 FEEDRO C=CCCOCC[NH2+]C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 ZINC000378494888 558569128 /nfs/dbraw/zinc/56/91/28/558569128.db2.gz LOXNAASLLTUTEU-UHFFFAOYSA-N 1 0 368.499 2.031 20 30 FEEDRO N#Cc1ccc(N2CC[C@@H](N3CC[C@](O)(c4ccc(F)cc4)C3)C2=O)cc1 ZINC000378514611 558572883 /nfs/dbraw/zinc/57/28/83/558572883.db2.gz FZVSPBCWDQCMEP-TZIWHRDSSA-N 1 0 365.408 2.396 20 30 FEEDRO C=CCNC(=O)CNC(=O)C1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000378524664 558575114 /nfs/dbraw/zinc/57/51/14/558575114.db2.gz VWCBDUHHLXYYPS-UHFFFAOYSA-N 1 0 355.891 2.032 20 30 FEEDRO N#Cc1ccc(CNC(=O)CN2CC[C@H](Oc3ccc(F)cc3)C2)cc1 ZINC000378645402 558599974 /nfs/dbraw/zinc/59/99/74/558599974.db2.gz BDUDAHMZXQFZMU-IBGZPJMESA-N 1 0 353.397 2.467 20 30 FEEDRO CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NS(=O)(=O)c1cccnc1C#N ZINC000398113048 558626130 /nfs/dbraw/zinc/62/61/30/558626130.db2.gz ZDLJSZFOWSQJOL-SFHVURJKSA-N 1 0 372.494 2.388 20 30 FEEDRO CC1CC(C#N)(C(=O)N2CCO[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000404191794 558631225 /nfs/dbraw/zinc/63/12/25/558631225.db2.gz NRTRXGYHQNUTBW-HLZCYKFHSA-N 1 0 353.466 2.428 20 30 FEEDRO C[C@@H](C(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)n1cnc(C#N)n1 ZINC000409452501 558693583 /nfs/dbraw/zinc/69/35/83/558693583.db2.gz INMDCGVRVRIZJM-XJKSGUPXSA-N 1 0 372.860 2.317 20 30 FEEDRO CCN(CCC#N)S(=O)(=O)N1CCC(CC[N@H+](CC)CC2CC2)CC1 ZINC000409483047 558695949 /nfs/dbraw/zinc/69/59/49/558695949.db2.gz HWINPFAVVQWHKE-UHFFFAOYSA-N 1 0 370.563 2.301 20 30 FEEDRO CCN(CCC#N)S(=O)(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000409492497 558697082 /nfs/dbraw/zinc/69/70/82/558697082.db2.gz WFHJBMFQCDCGHC-QGZVFWFLSA-N 1 0 370.563 2.443 20 30 FEEDRO CCC[C@@H]1CN(C(=O)[C@@H](C)n2cnc(C#N)n2)CC[N@@H+]1Cc1ccccc1 ZINC000409901393 558726045 /nfs/dbraw/zinc/72/60/45/558726045.db2.gz NHHIZIUQVWUYCU-SJLPKXTDSA-N 1 0 366.469 2.224 20 30 FEEDRO C=CCN1CC[C@@H](N(C)C(=O)c2ccc(Nc3cc[nH+]cc3)cc2)C1=O ZINC000410109617 558739018 /nfs/dbraw/zinc/73/90/18/558739018.db2.gz LVISYJPFSHUSHU-GOSISDBHSA-N 1 0 350.422 2.106 20 30 FEEDRO CC[C@H]1CCC[N@@H+](C(C)(C)CNS(=O)(=O)N(CC)C[C@@H](C)C#N)C1 ZINC000410130633 558740787 /nfs/dbraw/zinc/74/07/87/558740787.db2.gz MTTUMODGUQBYGU-HOTGVXAUSA-N 1 0 358.552 2.203 20 30 FEEDRO C=C(C)CN(C)C(=O)C(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000410474448 558764867 /nfs/dbraw/zinc/76/48/67/558764867.db2.gz KVLRMKKQGFADLK-UHFFFAOYSA-N 1 0 357.498 2.392 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C[C@H]2CCCN(C(=O)NCC(C)C)C2)CC1 ZINC000524939863 562237927 /nfs/dbraw/zinc/23/79/27/562237927.db2.gz AHOUCLJCAQEDDP-QGZVFWFLSA-N 1 0 364.534 2.221 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H](CC(C)(C)C)C(F)(F)F)CC1 ZINC000411265982 558863529 /nfs/dbraw/zinc/86/35/29/558863529.db2.gz WXNWYKJTMIMYQL-ZDUSSCGKSA-N 1 0 363.424 2.236 20 30 FEEDRO COC(=O)C1CC[NH+](CCCNC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)CC1 ZINC000411421415 558892054 /nfs/dbraw/zinc/89/20/54/558892054.db2.gz KIYJWMCEBHHJMT-RBUKOAKNSA-N 1 0 369.465 2.053 20 30 FEEDRO C[N@@H+]1CCC[C@H](CCNC(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)C1 ZINC000411662091 558938058 /nfs/dbraw/zinc/93/80/58/558938058.db2.gz BETAAZLOIOJDHI-OAHLLOKOSA-N 1 0 356.470 2.274 20 30 FEEDRO C[NH+](C)[C@H]1CCCN(C(=O)NC2CCC(Oc3ncccc3C#N)CC2)C1 ZINC000525861757 562257637 /nfs/dbraw/zinc/25/76/37/562257637.db2.gz NIYZLCBUSOAKME-ADKAHSJRSA-N 1 0 371.485 2.379 20 30 FEEDRO C=CCSc1ccccc1NC(=O)C[NH2+][C@H](CO)[C@@H]1CCCOC1 ZINC000411999217 559000899 /nfs/dbraw/zinc/00/08/99/559000899.db2.gz XBPLMUSRDNTHQX-GDBMZVCRSA-N 1 0 350.484 2.280 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+]C2(CO)C3CC4CC(C3)CC2C4)cc1 ZINC000412002624 559001372 /nfs/dbraw/zinc/00/13/72/559001372.db2.gz MFNMYHMBXLYZHF-UHFFFAOYSA-N 1 0 374.506 2.109 20 30 FEEDRO COc1cc(OCC[NH+](C)C)ccc1NC(=O)c1cc(C)c(C#N)cn1 ZINC000412583443 559044894 /nfs/dbraw/zinc/04/48/94/559044894.db2.gz WHISYSXMIOEQCQ-UHFFFAOYSA-N 1 0 354.410 2.463 20 30 FEEDRO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1c[nH]c(C#N)c1 ZINC000412679433 559050180 /nfs/dbraw/zinc/05/01/80/559050180.db2.gz WULLMCWYEHAMBR-IEBWSBKVSA-N 1 0 352.438 2.153 20 30 FEEDRO N#Cc1ccc(C(=O)NCC2(O)CC[NH+](Cc3ccccc3)CC2)s1 ZINC000412778443 559055624 /nfs/dbraw/zinc/05/56/24/559055624.db2.gz JZCVAUBWNUPUSZ-UHFFFAOYSA-N 1 0 355.463 2.377 20 30 FEEDRO C=CCn1cccc1C(=O)NCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000412781321 559055793 /nfs/dbraw/zinc/05/57/93/559055793.db2.gz TZSVAFAUVCYAIF-UHFFFAOYSA-N 1 0 353.466 2.431 20 30 FEEDRO COc1cc(C#N)ccc1NC(=O)C(=O)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000526085567 562266387 /nfs/dbraw/zinc/26/63/87/562266387.db2.gz URIHCUYPUMJJDU-UHFFFAOYSA-N 1 0 372.469 2.084 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CCN(c3ccc(F)cc3)C2=O)CC1 ZINC000413231386 559090521 /nfs/dbraw/zinc/09/05/21/559090521.db2.gz FLWAROCYDRANBM-SFHVURJKSA-N 1 0 374.460 2.271 20 30 FEEDRO COCC(COC)[NH+]1CCN(c2ccc(C(F)(F)F)c(C#N)c2)CC1 ZINC000413481505 559111148 /nfs/dbraw/zinc/11/11/48/559111148.db2.gz UHEZNVAEEQLLOC-UHFFFAOYSA-N 1 0 357.376 2.360 20 30 FEEDRO COC(=O)[C@H]1CN(C(=O)N[C@@H](CCCC#N)c2ccccc2)CC[N@H+](C)C1 ZINC000413588336 559118473 /nfs/dbraw/zinc/11/84/73/559118473.db2.gz XSFBUFSUBVSDAR-MSOLQXFVSA-N 1 0 372.469 2.168 20 30 FEEDRO C=CCOc1ccc(C[NH+]2CCC(N3CCCS3(=O)=O)CC2)cc1 ZINC000414470543 559166994 /nfs/dbraw/zinc/16/69/94/559166994.db2.gz MQDJULCTBHFJFX-UHFFFAOYSA-N 1 0 350.484 2.251 20 30 FEEDRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NCC(=O)NC1(C#N)CCC1 ZINC000527049619 562274570 /nfs/dbraw/zinc/27/45/70/562274570.db2.gz GCTCEYZGDRJNKR-YRWFTTLQSA-N 1 0 354.498 2.295 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)Nc1cc(N)ccc1F)C(C)C ZINC000414698020 559180620 /nfs/dbraw/zinc/18/06/20/559180620.db2.gz RSUHOVOJHQRURB-KRWDZBQOSA-N 1 0 362.449 2.161 20 30 FEEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(CC[NH3+])CCO)cc1 ZINC000415077578 559204139 /nfs/dbraw/zinc/20/41/39/559204139.db2.gz FNLFOBQDKBXDNM-UHFFFAOYSA-N 1 0 370.409 2.144 20 30 FEEDRO COC[C@]1(CNC(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CCC[NH2+]1 ZINC000415213689 559215327 /nfs/dbraw/zinc/21/53/27/559215327.db2.gz OEERSYHPTCGXFE-OAHLLOKOSA-N 1 0 356.348 2.467 20 30 FEEDRO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)Nc2ccccc2SC[C@H](C)C#N)C1 ZINC000415287489 559221232 /nfs/dbraw/zinc/22/12/32/559221232.db2.gz WNAJUDPOHIQWDK-HUUCEWRRSA-N 1 0 374.510 2.335 20 30 FEEDRO C[NH2+][C@@H]1CCN(C(=O)C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)C1 ZINC000415293034 559221704 /nfs/dbraw/zinc/22/17/04/559221704.db2.gz CLIMNNIIDVWBER-MRXNPFEDSA-N 1 0 364.405 2.109 20 30 FEEDRO C[NH2+]CCCNC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C ZINC000415303348 559222423 /nfs/dbraw/zinc/22/24/23/559222423.db2.gz FAAADJNDXMGLAR-UHFFFAOYSA-N 1 0 366.421 2.323 20 30 FEEDRO N#Cc1ccc(NC(=O)C(=O)N2CCC([NH2+]CC3CC3)CC2)c(Cl)c1 ZINC000415448899 559238344 /nfs/dbraw/zinc/23/83/44/559238344.db2.gz KKYBKEDKAMCERY-UHFFFAOYSA-N 1 0 360.845 2.141 20 30 FEEDRO N#Cc1ccc(-n2ccc(NC(=O)N[C@H]3CC[C@@H](C[NH3+])C3)n2)c(Cl)c1 ZINC000415464623 559239999 /nfs/dbraw/zinc/23/99/99/559239999.db2.gz RQVHQMVXDNEHGB-YPMHNXCESA-N 1 0 358.833 2.646 20 30 FEEDRO C[NH2+]CC1CCN(C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)CC1 ZINC000415468416 559240517 /nfs/dbraw/zinc/24/05/17/559240517.db2.gz WJLLYIQFDFOLOV-UHFFFAOYSA-N 1 0 372.860 2.861 20 30 FEEDRO C[C@H]1CCN(C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)[C@H](C[NH3+])C1 ZINC000415468330 559240544 /nfs/dbraw/zinc/24/05/44/559240544.db2.gz WEWRYDUTAAMTIX-JSGCOSHPSA-N 1 0 372.860 2.988 20 30 FEEDRO N#CCCCN1C(=O)CCc2cc(NC(=O)NC[C@H]3CCC[NH2+]3)ccc21 ZINC000415556684 559249470 /nfs/dbraw/zinc/24/94/70/559249470.db2.gz GZNQHLXSPDJATG-MRXNPFEDSA-N 1 0 355.442 2.143 20 30 FEEDRO COC[C@]1(CNC(=O)Nc2ccc(C#N)c(Br)c2)CCC[NH2+]1 ZINC000415695015 559262732 /nfs/dbraw/zinc/26/27/32/559262732.db2.gz PVLDZQKINANHSO-OAHLLOKOSA-N 1 0 367.247 2.211 20 30 FEEDRO CCc1ccccc1[C@@H]([NH3+])CNC(=O)C(=O)Nc1cc(C#N)ccc1C ZINC000415827096 559275877 /nfs/dbraw/zinc/27/58/77/559275877.db2.gz ADKRCUSLWHQIEW-KRWDZBQOSA-N 1 0 350.422 2.184 20 30 FEEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000415845080 559277905 /nfs/dbraw/zinc/27/79/05/559277905.db2.gz JNJQCLXXVHUQGS-RBSFLKMASA-N 1 0 374.510 2.320 20 30 FEEDRO C[C@@H]1CCN(C(=O)C(=O)Nc2ccccc2SCCC#N)C[C@@H]1C[NH3+] ZINC000415848003 559278123 /nfs/dbraw/zinc/27/81/23/559278123.db2.gz LJTXYOQAHXOZSJ-KGLIPLIRSA-N 1 0 360.483 2.074 20 30 FEEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000415856080 559278946 /nfs/dbraw/zinc/27/89/46/559278946.db2.gz ZHWGJELUMXEUCO-RRFJBIMHSA-N 1 0 374.510 2.463 20 30 FEEDRO Cc1cc(C#N)cc(NC(=O)C(=O)N2CCC([C@@H]3[NH2+]CC3(C)C)CC2)c1 ZINC000415857583 559279094 /nfs/dbraw/zinc/27/90/94/559279094.db2.gz HYJIJTPPZPGWME-KRWDZBQOSA-N 1 0 354.454 2.042 20 30 FEEDRO N#CCc1ccc(NC(=O)C(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c(Cl)c1 ZINC000415858707 559279129 /nfs/dbraw/zinc/27/91/29/559279129.db2.gz UCCAIDHLVMLVQO-CABCVRRESA-N 1 0 374.872 2.193 20 30 FEEDRO CCC([NH3+])(CC)CNC(=O)NC1CCC(Oc2ncccc2C#N)CC1 ZINC000418051131 559388326 /nfs/dbraw/zinc/38/83/26/559388326.db2.gz QZPYUFIPIJPKMU-UHFFFAOYSA-N 1 0 359.474 2.460 20 30 FEEDRO N#Cc1ccccc1N1CCCN(C(=O)N[C@@H](C[NH3+])C2CCCC2)CC1 ZINC000418620894 559408185 /nfs/dbraw/zinc/40/81/85/559408185.db2.gz LHNOZTTXWOTIPE-SFHVURJKSA-N 1 0 355.486 2.297 20 30 FEEDRO N#Cc1ccc(N2CCN(C(=O)N[C@@H](C[NH3+])C3CCCC3)CC2)c(F)c1 ZINC000418630389 559408571 /nfs/dbraw/zinc/40/85/71/559408571.db2.gz XEKRGHFORTUJHC-KRWDZBQOSA-N 1 0 359.449 2.046 20 30 FEEDRO N#Cc1c(F)cccc1N1CCN(C(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000418738913 559413296 /nfs/dbraw/zinc/41/32/96/559413296.db2.gz ZSPIXOAZMSWXCO-CABCVRRESA-N 1 0 359.449 2.046 20 30 FEEDRO N#Cc1cccc(NC(=O)C2CCN(C(=O)N[C@H]3CC[C@@H](C[NH3+])C3)CC2)c1 ZINC000418795667 559416391 /nfs/dbraw/zinc/41/63/91/559416391.db2.gz SFXWPJTUNKZKRS-QAPCUYQASA-N 1 0 369.469 2.046 20 30 FEEDRO C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000419055078 559426417 /nfs/dbraw/zinc/42/64/17/559426417.db2.gz IVKIQOSQIRCYOI-IBGZPJMESA-N 1 0 369.509 2.282 20 30 FEEDRO C=CCC[C@@H](NC(=O)C(=O)N[C@@H](C)C[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000419473606 559444303 /nfs/dbraw/zinc/44/43/03/559444303.db2.gz LLPSBHWZWHZUPI-SMDDNHRTSA-N 1 0 357.376 2.292 20 30 FEEDRO N#CC1(CNC(=O)C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)CCC1 ZINC000419813145 559460618 /nfs/dbraw/zinc/46/06/18/559460618.db2.gz GJVQIBAYMYRWOO-UHFFFAOYSA-N 1 0 354.454 2.073 20 30 FEEDRO C=CCC[C@H]1NC(=O)N(C[C@H](C)[NH+]2CCN(c3ccccc3)CC2)C1=O ZINC000419919516 559464527 /nfs/dbraw/zinc/46/45/27/559464527.db2.gz AYHPLPALWWSLRV-FUHWJXTLSA-N 1 0 356.470 2.084 20 30 FEEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000420199456 559476301 /nfs/dbraw/zinc/47/63/01/559476301.db2.gz MHTPFKGUWWYWDL-RYUDHWBXSA-N 1 0 355.891 2.160 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c(Cl)c1 ZINC000420450841 559488118 /nfs/dbraw/zinc/48/81/18/559488118.db2.gz HMZWTDWGVNJGNN-ZIAGYGMSSA-N 1 0 353.875 2.222 20 30 FEEDRO N#Cc1cc(S(=O)(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)ccc1Cl ZINC000420465288 559488876 /nfs/dbraw/zinc/48/88/76/559488876.db2.gz YMYDSBZOACSTMG-CHWSQXEVSA-N 1 0 353.875 2.222 20 30 FEEDRO CN(CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)C[C@H]1CCC[N@@H+]1C ZINC000420996225 559518491 /nfs/dbraw/zinc/51/84/91/559518491.db2.gz FRBXDTYXBLPIBF-QGZVFWFLSA-N 1 0 367.415 2.199 20 30 FEEDRO COC1([C@@H](C)[NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCOCC1 ZINC000421037611 559521132 /nfs/dbraw/zinc/52/11/32/559521132.db2.gz SAYONSFACRYDNT-QAPCUYQASA-N 1 0 357.454 2.227 20 30 FEEDRO CCOC(=O)c1c(NC(=O)NC2CC[NH+](C3CC3)CC2)c(C#N)cn1CC ZINC000421166866 559528248 /nfs/dbraw/zinc/52/82/48/559528248.db2.gz RGUHEJBZTOOCIK-UHFFFAOYSA-N 1 0 373.457 2.305 20 30 FEEDRO COc1cc(C[NH2+]Cc2ccc(C#N)c(F)c2)ccc1OCC(=O)N(C)C ZINC000421332491 559539390 /nfs/dbraw/zinc/53/93/90/559539390.db2.gz LYXIUKLLKPHDPE-UHFFFAOYSA-N 1 0 371.412 2.463 20 30 FEEDRO CC[NH+](CC)Cc1cccc(CNC(=O)C(=O)NCC(C)(C)CC#N)c1 ZINC000421402117 559541386 /nfs/dbraw/zinc/54/13/86/559541386.db2.gz CCQXADOCYVRBME-UHFFFAOYSA-N 1 0 358.486 2.201 20 30 FEEDRO Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N(C)C[C@H]3CCC[N@@H+]3C)C2)n1 ZINC000421715134 559550717 /nfs/dbraw/zinc/55/07/17/559550717.db2.gz XBQXIASXWNAOMY-QZTJIDSGSA-N 1 0 355.486 2.031 20 30 FEEDRO C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000422071211 559563660 /nfs/dbraw/zinc/56/36/60/559563660.db2.gz MGVISYPJBIYUDN-QRVBRYPASA-N 1 0 355.482 2.033 20 30 FEEDRO C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000422425973 559587405 /nfs/dbraw/zinc/58/74/05/559587405.db2.gz AKZZSGBYLABSLY-LJQANCHMSA-N 1 0 369.509 2.281 20 30 FEEDRO C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000422524872 559592795 /nfs/dbraw/zinc/59/27/95/559592795.db2.gz HCFLZNKABZXGHO-IBGZPJMESA-N 1 0 357.498 2.090 20 30 FEEDRO C=C(C)[C@H](NC(=O)C(=O)N1CCC2(CC[NH2+]2)CC1)c1ccc(F)c(F)c1 ZINC000422965774 559613234 /nfs/dbraw/zinc/61/32/34/559613234.db2.gz PQXKSIHQRZXSCB-INIZCTEOSA-N 1 0 363.408 2.053 20 30 FEEDRO CCOC(=O)[C@H]1NCC[C@@H]1[NH2+]C1CCC(Oc2ccccc2C#N)CC1 ZINC000422987489 559614011 /nfs/dbraw/zinc/61/40/11/559614011.db2.gz ISAJRLGDGBATEV-AKSNENBUSA-N 1 0 357.454 2.131 20 30 FEEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000423029786 559615726 /nfs/dbraw/zinc/61/57/26/559615726.db2.gz VLWBTBDDHHYXRS-UHFFFAOYSA-N 1 0 357.907 2.359 20 30 FEEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@]2(COC)CC[NH2+]C2)cc1 ZINC000423053441 559616605 /nfs/dbraw/zinc/61/66/05/559616605.db2.gz SHMUZIWMJZALIT-FQEVSTJZSA-N 1 0 357.454 2.065 20 30 FEEDRO N#CCCC[C@@H]([NH3+])C(=O)N1CCCC[C@@H]1CNC(=O)Nc1ccccc1 ZINC000424099655 559654726 /nfs/dbraw/zinc/65/47/26/559654726.db2.gz VPDDFYGNTAMABS-IAGOWNOFSA-N 1 0 357.458 2.210 20 30 FEEDRO CC(C)(C)S(=O)(=O)Cc1ccc(NC(=O)[C@H]([NH3+])CCCC#N)cc1 ZINC000424110221 559655116 /nfs/dbraw/zinc/65/51/16/559655116.db2.gz CFOFPSLJBCQSGL-OAHLLOKOSA-N 1 0 351.472 2.360 20 30 FEEDRO C=CCn1c(-c2cccnc2)nnc1N1CC[NH+](C(C)(C)COC)CC1 ZINC000424110940 559655212 /nfs/dbraw/zinc/65/52/12/559655212.db2.gz DTQVSRDQENWNMQ-UHFFFAOYSA-N 1 0 356.474 2.073 20 30 FEEDRO CN(C)C(=O)C[C@@H]1CN(C(=O)[C@@H]([NH3+])CCCC#N)c2ccc(Cl)cc21 ZINC000424120084 559655301 /nfs/dbraw/zinc/65/53/01/559655301.db2.gz GPNSWSMHANIVPB-DOMZBBRYSA-N 1 0 362.861 2.270 20 30 FEEDRO N#CCCC[C@H]([NH3+])C(=O)N1CCN(Cc2ccc(F)cc2Cl)CC1 ZINC000424128416 559655690 /nfs/dbraw/zinc/65/56/90/559655690.db2.gz FIQXOEVQRFKPRO-INIZCTEOSA-N 1 0 352.841 2.144 20 30 FEEDRO C[C@@H](CNC(=O)[C@H]([NH3+])CCCC#N)Oc1ccccc1Br ZINC000424135674 559655731 /nfs/dbraw/zinc/65/57/31/559655731.db2.gz ZQNZVMJYSDJUKK-WCQYABFASA-N 1 0 354.248 2.354 20 30 FEEDRO N#CCCC[C@H]([NH3+])C(=O)N1CCC[C@@H](NC(=O)c2cc3ccccc3o2)C1 ZINC000424141372 559655988 /nfs/dbraw/zinc/65/59/88/559655988.db2.gz UCQLFNKHSKJXHA-CVEARBPZSA-N 1 0 368.437 2.175 20 30 FEEDRO N#CCCC[C@@H]([NH3+])C(=O)N1CCc2c(Br)ccc(F)c2C1 ZINC000424168211 559656497 /nfs/dbraw/zinc/65/64/97/559656497.db2.gz HZYWEPFYLGHGAW-CQSZACIVSA-N 1 0 354.223 2.494 20 30 FEEDRO CCN1CC[C@H](NC(=O)[C@H]([NH3+])CCCC#N)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000424178533 559656985 /nfs/dbraw/zinc/65/69/85/559656985.db2.gz WVXWKXIGWKOIHE-VYDXJSESSA-N 1 0 368.403 2.377 20 30 FEEDRO C=CCC1(C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)CCOCC1 ZINC000424744556 559675457 /nfs/dbraw/zinc/67/54/57/559675457.db2.gz UXEIRJAUEYVXEU-ROUUACIJSA-N 1 0 350.503 2.243 20 30 FEEDRO C=CCSc1ccccc1C(=O)NC1CC[NH+]([C@@H]2CCN(C)C2=O)CC1 ZINC000425316802 559696347 /nfs/dbraw/zinc/69/63/47/559696347.db2.gz YOEGHOULEDWASX-QGZVFWFLSA-N 1 0 373.522 2.390 20 30 FEEDRO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000425389829 559699605 /nfs/dbraw/zinc/69/96/05/559699605.db2.gz VGJYATHMWPZHHP-LPHOPBHVSA-N 1 0 368.481 2.164 20 30 FEEDRO C=CCn1cc(CNC(=O)N2CCC(CCC[NH+]3CCCC3)CC2)nn1 ZINC000425562476 559709882 /nfs/dbraw/zinc/70/98/82/559709882.db2.gz GKDOHDAEAMFDNZ-UHFFFAOYSA-N 1 0 360.506 2.262 20 30 FEEDRO CC(C)[NH+]1CCC(NC(=O)C(=O)N(C)[C@@H](C)c2cccc(C#N)c2)CC1 ZINC000425869014 559723473 /nfs/dbraw/zinc/72/34/73/559723473.db2.gz ULOZGFLTHHCTBU-HNNXBMFYSA-N 1 0 356.470 2.067 20 30 FEEDRO C[NH+](C)CCOc1ccc(NS(=O)(=O)c2ccc(C#N)c(F)c2)cc1 ZINC000427314419 559753087 /nfs/dbraw/zinc/75/30/87/559753087.db2.gz JXHPGIOUXKLUEC-UHFFFAOYSA-N 1 0 363.414 2.439 20 30 FEEDRO C=CCCCS(=O)(=O)Nc1ccccc1C[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000427756168 559761523 /nfs/dbraw/zinc/76/15/23/559761523.db2.gz HEPHATTWMRZMFA-MRXNPFEDSA-N 1 0 365.499 2.092 20 30 FEEDRO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1cccnc1C#N ZINC000428371292 559774014 /nfs/dbraw/zinc/77/40/14/559774014.db2.gz VOOWVJSBHLUPIZ-GJZGRUSLSA-N 1 0 350.488 2.132 20 30 FEEDRO Cc1cc(C)cc(OC[C@H](O)C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)c1 ZINC000428779710 559783087 /nfs/dbraw/zinc/78/30/87/559783087.db2.gz CZXNRRVNRRKMHB-MOPGFXCFSA-N 1 0 367.449 2.463 20 30 FEEDRO N#Cc1ccc(O[C@@H]2CC[N@@H+](CCC(=O)NCC3CCCCC3)C2)nc1 ZINC000428782493 559783176 /nfs/dbraw/zinc/78/31/76/559783176.db2.gz GVLXMOGPQZXUIC-GOSISDBHSA-N 1 0 356.470 2.493 20 30 FEEDRO COC(=O)[C@]1(c2ccccc2)CC[N@@H+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000428803043 559783746 /nfs/dbraw/zinc/78/37/46/559783746.db2.gz IFPHOSQVGNLLHL-MAODMQOUSA-N 1 0 371.481 2.246 20 30 FEEDRO C[NH+](C)[C@H]1CCCN(C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CC1 ZINC000429619302 559802358 /nfs/dbraw/zinc/80/23/58/559802358.db2.gz NGLXFYLKEOPBGB-AWEZNQCLSA-N 1 0 370.432 2.831 20 30 FEEDRO N#Cc1cccnc1OC1CCC(NC(=O)NCC[NH+]2CCCCC2)CC1 ZINC000527352875 562286273 /nfs/dbraw/zinc/28/62/73/562286273.db2.gz GHAADLVKXHIDCN-UHFFFAOYSA-N 1 0 371.485 2.428 20 30 FEEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)C[C@H]1C ZINC000434807340 559909866 /nfs/dbraw/zinc/90/98/66/559909866.db2.gz DZIFKJAUADNXRI-GDBMZVCRSA-N 1 0 373.501 2.384 20 30 FEEDRO N#CCCn1cc(C[N@H+]2CCSC[C@H]2CCO)c(-c2ccncc2)n1 ZINC000435125212 559916725 /nfs/dbraw/zinc/91/67/25/559916725.db2.gz DEJBNEGDEYDRES-QGZVFWFLSA-N 1 0 357.483 2.159 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)Nc1cc(C[NH+](C)C)ccc1C ZINC000437041317 559959749 /nfs/dbraw/zinc/95/97/49/559959749.db2.gz LLOKWMUCZFEISD-WMZOPIPTSA-N 1 0 359.470 2.093 20 30 FEEDRO C[N@H+](CCC(=O)Nc1cccc(C#N)c1)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000437881955 559971158 /nfs/dbraw/zinc/97/11/58/559971158.db2.gz NMWDHUWOTSOMAX-DLBZAZTESA-N 1 0 363.483 2.174 20 30 FEEDRO N#Cc1ccc([C@@H]([NH2+]CCc2nc(C(F)(F)F)cs2)C(N)=O)cc1 ZINC000439659154 559998447 /nfs/dbraw/zinc/99/84/47/559998447.db2.gz RVYJMKIZXIFZRP-CYBMUJFWSA-N 1 0 354.357 2.392 20 30 FEEDRO Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NCCc1cccc(C#N)c1 ZINC000440119698 560005015 /nfs/dbraw/zinc/00/50/15/560005015.db2.gz QNUQZUQNCQLVNW-UHFFFAOYSA-N 1 0 364.449 2.226 20 30 FEEDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000442107056 560044049 /nfs/dbraw/zinc/04/40/49/560044049.db2.gz DEUMHPLINFQBRF-MJBXVCDLSA-N 1 0 353.463 2.342 20 30 FEEDRO Cc1cc(C[NH2+][C@H](Cc2ccccc2)C(=O)N2CCOCC2)ccc1C#N ZINC000443994554 560098858 /nfs/dbraw/zinc/09/88/58/560098858.db2.gz LGNLRATVQUNFRN-OAQYLSRUSA-N 1 0 363.461 2.426 20 30 FEEDRO COCCNC(=O)[C@H](Cc1ccccc1)[NH2+]Cc1ccc(C#N)c(C)c1 ZINC000444004010 560099077 /nfs/dbraw/zinc/09/90/77/560099077.db2.gz PSKGQOOPZXPVOF-FQEVSTJZSA-N 1 0 351.450 2.330 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNS(=O)(=O)c1cnn(C(C)C)c1)C(C)C ZINC000444111592 560102052 /nfs/dbraw/zinc/10/20/52/560102052.db2.gz NMQIXMHZZOZCAX-KRWDZBQOSA-N 1 0 354.520 2.441 20 30 FEEDRO CC[NH+](CC)CCNC(=O)NC1CCC(Oc2ncccc2C#N)CC1 ZINC000446563282 560147476 /nfs/dbraw/zinc/14/74/76/560147476.db2.gz GCEDNSBBWBLGHB-UHFFFAOYSA-N 1 0 359.474 2.284 20 30 FEEDRO CC1CC[NH+](C[C@@H](O)CNC(=O)c2cc(-c3cccc(C#N)c3)no2)CC1 ZINC000447556127 560164523 /nfs/dbraw/zinc/16/45/23/560164523.db2.gz FCBKQBFJXNYQPW-KRWDZBQOSA-N 1 0 368.437 2.036 20 30 FEEDRO C[NH+](C)C(C)(C)CNC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 ZINC000448583595 560191395 /nfs/dbraw/zinc/19/13/95/560191395.db2.gz UVFDIGMQONEYDJ-ZDUSSCGKSA-N 1 0 362.861 2.021 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)NCCC[N@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000448677062 560193636 /nfs/dbraw/zinc/19/36/36/560193636.db2.gz KZHMCXGXYOYBOI-AABGKKOBSA-N 1 0 357.498 2.073 20 30 FEEDRO C[C@@H](NC(=O)c1ccc(C#N)n1C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000448843201 560202250 /nfs/dbraw/zinc/20/22/50/560202250.db2.gz CZUDIZGMXIQCDG-CQSZACIVSA-N 1 0 369.444 2.279 20 30 FEEDRO CN(C[C@H]1CC[N@H+](C)C1)C(=O)COc1ccc(C#N)c(Br)c1 ZINC000449843772 560242371 /nfs/dbraw/zinc/24/23/71/560242371.db2.gz SLWQUSFQBXZVIA-LBPRGKRZSA-N 1 0 366.259 2.110 20 30 FEEDRO CC(C)C[N@@H+]1CCO[C@H](CNc2ncc(Br)cc2C#N)C1 ZINC000450224142 560254509 /nfs/dbraw/zinc/25/45/09/560254509.db2.gz SIGOMAFDLNDERN-CQSZACIVSA-N 1 0 353.264 2.484 20 30 FEEDRO C[C@@H]1C[N@@H+](CCCNc2ncc(Br)cc2C#N)C[C@H](C)O1 ZINC000450240751 560255328 /nfs/dbraw/zinc/25/53/28/560255328.db2.gz HDFXWPFBZUVCKK-TXEJJXNPSA-N 1 0 353.264 2.627 20 30 FEEDRO N#Cc1cnc(NCCC[NH+]2CCN(c3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000450249743 560255805 /nfs/dbraw/zinc/25/58/05/560255805.db2.gz CCBKDWIXAHMZTB-UHFFFAOYSA-N 1 0 366.425 2.486 20 30 FEEDRO C=CCOc1ccc(CC(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)cc1 ZINC000450319479 560258501 /nfs/dbraw/zinc/25/85/01/560258501.db2.gz YWMDMAVZZVYGAZ-GHTZIAJQSA-N 1 0 371.525 2.278 20 30 FEEDRO C[C@H](c1ccccc1)[C@@H](O)C[N@@H+]1CCN(c2nccnc2C#N)C[C@H]1C ZINC000450480660 560263701 /nfs/dbraw/zinc/26/37/01/560263701.db2.gz BWQLYKFMWIDODR-MDZRGWNJSA-N 1 0 351.454 2.023 20 30 FEEDRO N#Cc1cc(C(F)(F)F)ccc1N1CC[NH+]([C@@H]2CCNC(=O)CC2)CC1 ZINC000450891272 560277046 /nfs/dbraw/zinc/27/70/46/560277046.db2.gz JLARZZUGHCSKIH-HNNXBMFYSA-N 1 0 366.387 2.368 20 30 FEEDRO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CC[C@@H](Oc2cccnc2N(C)C)C1 ZINC000451026984 560283181 /nfs/dbraw/zinc/28/31/81/560283181.db2.gz MCDGWSMRSFJSOE-DLBZAZTESA-N 1 0 360.502 2.414 20 30 FEEDRO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CC[C@H](Oc2cccnc2N(C)C)C1 ZINC000451026601 560283236 /nfs/dbraw/zinc/28/32/36/560283236.db2.gz LOSHBMGBVPZVSZ-SJORKVTESA-N 1 0 358.486 2.190 20 30 FEEDRO N#CCc1ccc(S(=O)(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)c(Cl)c1 ZINC000451052899 560284823 /nfs/dbraw/zinc/28/48/23/560284823.db2.gz FZOWOMWWGPSLBJ-LSDHHAIUSA-N 1 0 353.875 2.311 20 30 FEEDRO CCO[C@@H](CC[NH+](C)C)CNS(=O)(=O)c1ccc(CC#N)cc1Cl ZINC000451301546 560298967 /nfs/dbraw/zinc/29/89/67/560298967.db2.gz XMGBOPODNDZHEC-AWEZNQCLSA-N 1 0 373.906 2.041 20 30 FEEDRO C[N@@H+]1CC[C@@H]2CCN(S(=O)(=O)c3ccc(CC#N)cc3Cl)[C@H]2C1 ZINC000451382676 560303737 /nfs/dbraw/zinc/30/37/37/560303737.db2.gz ITABEZXUSLFEGR-HIFRSBDPSA-N 1 0 353.875 2.121 20 30 FEEDRO C[N@@H+]1CC[C@@]2(CCN(S(=O)(=O)c3ccc(CC#N)cc3Cl)C2)C1 ZINC000451575917 560315726 /nfs/dbraw/zinc/31/57/26/560315726.db2.gz UFJNOMBLYWPSFN-MRXNPFEDSA-N 1 0 353.875 2.122 20 30 FEEDRO CC(C)[C@@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)[C@@H](CO)C(C)C ZINC000451597719 560316781 /nfs/dbraw/zinc/31/67/81/560316781.db2.gz NBBHKEBCWHDIPL-ZWKOTPCHSA-N 1 0 352.500 2.211 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H](C)C(=O)N(C)CCOc1ccc(Cl)cc1 ZINC000451607693 560317102 /nfs/dbraw/zinc/31/71/02/560317102.db2.gz QDGILEDUIFDIBH-XYPHTWIQSA-N 1 0 352.862 2.499 20 30 FEEDRO C[NH+](C)CC1(NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CCC1 ZINC000451635784 560318548 /nfs/dbraw/zinc/31/85/48/560318548.db2.gz RSFRMVZRCMRPEC-AWEZNQCLSA-N 1 0 374.872 2.165 20 30 FEEDRO C[C@H](CC#N)N(C)S(=O)(=O)NCC1([N@H+](C)Cc2ccccc2)CCC1 ZINC000451798905 560329140 /nfs/dbraw/zinc/32/91/40/560329140.db2.gz VGQUHMDAZOGWAM-MRXNPFEDSA-N 1 0 364.515 2.109 20 30 FEEDRO C=C(C)CS(=O)(=O)NC1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1 ZINC000451867902 560333530 /nfs/dbraw/zinc/33/35/30/560333530.db2.gz DDHAQGIFOWXBGL-UHFFFAOYSA-N 1 0 365.499 2.105 20 30 FEEDRO C=CCNC(=O)NC(=O)C[NH+]1CCC(Cc2cccc(F)c2F)CC1 ZINC000451953490 560340344 /nfs/dbraw/zinc/34/03/44/560340344.db2.gz UBQFQNHAYGLHME-UHFFFAOYSA-N 1 0 351.397 2.231 20 30 FEEDRO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@@H](CCCO)C2)cc1 ZINC000452128679 560353025 /nfs/dbraw/zinc/35/30/25/560353025.db2.gz MKNAANCIEOBVMM-QGZVFWFLSA-N 1 0 359.470 2.426 20 30 FEEDRO C[NH+](C)CCn1nccc1NC(=O)c1cccc(C#N)c1Br ZINC000452521208 560366867 /nfs/dbraw/zinc/36/68/67/560366867.db2.gz LHNAJNVBYZKWAZ-UHFFFAOYSA-N 1 0 362.231 2.331 20 30 FEEDRO C=CCn1c([C@@H]2CC[C@H](C)O2)nnc1N1CC[N@H+](CCOC)[C@H](CC)C1 ZINC000453413469 560386144 /nfs/dbraw/zinc/38/61/44/560386144.db2.gz KMXAQPUJKFTCES-BBWFWOEESA-N 1 0 363.506 2.251 20 30 FEEDRO C=C(C)Cn1c([C@@H]2CC[C@H](C)O2)nnc1N1CC[N@@H+](CCOC)[C@H](C)C1 ZINC000453472078 560387514 /nfs/dbraw/zinc/38/75/14/560387514.db2.gz VTJUPCWBKAQJCL-IKGGRYGDSA-N 1 0 363.506 2.251 20 30 FEEDRO CCC[NH+](CCC)CCCNC(=O)C(=O)Nc1cnc(C#N)c(Cl)c1 ZINC000453633024 560392145 /nfs/dbraw/zinc/39/21/45/560392145.db2.gz IMSSJTGZYBXMRL-UHFFFAOYSA-N 1 0 365.865 2.173 20 30 FEEDRO C[NH+](C)Cc1cc(CNC(=O)C(=O)Nc2cccc(CC#N)c2)ccc1F ZINC000453656310 560393990 /nfs/dbraw/zinc/39/39/90/560393990.db2.gz YQXVBWSPZIYAHP-UHFFFAOYSA-N 1 0 368.412 2.208 20 30 FEEDRO N#CCc1cccc(NC(=O)C(=O)NCCCCC[NH+]2CCCCC2)c1 ZINC000453669143 560395160 /nfs/dbraw/zinc/39/51/60/560395160.db2.gz IRUQAYNADAADFK-UHFFFAOYSA-N 1 0 356.470 2.464 20 30 FEEDRO C[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2cccc(CC#N)c2)[C@@H]1c1ccccc1 ZINC000453686228 560396636 /nfs/dbraw/zinc/39/66/36/560396636.db2.gz DNEKUUKQKZYBLM-MOPGFXCFSA-N 1 0 362.433 2.253 20 30 FEEDRO Cc1cc(C#N)cc(NC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCCC2)c1 ZINC000453704980 560398352 /nfs/dbraw/zinc/39/83/52/560398352.db2.gz GBNVKPMVQYFRAK-SFHVURJKSA-N 1 0 354.454 2.282 20 30 FEEDRO C=C(C)CNC(=O)C(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1 ZINC000453726394 560399810 /nfs/dbraw/zinc/39/98/10/560399810.db2.gz XJIMOLKCBBSNIZ-UHFFFAOYSA-N 1 0 365.861 2.444 20 30 FEEDRO C[C@H](NC(=O)C(=O)Nc1cccc(CC#N)c1)[C@H](c1ccccc1)[NH+](C)C ZINC000453730178 560400140 /nfs/dbraw/zinc/40/01/40/560400140.db2.gz BBZDMPMCUYKMSS-HNAYVOBHSA-N 1 0 364.449 2.499 20 30 FEEDRO CC(C)(C)c1cc(C#N)c(NC(=O)C(=O)N[C@H]2CCc3[nH]cnc3C2)s1 ZINC000453760490 560402216 /nfs/dbraw/zinc/40/22/16/560402216.db2.gz KIWDPKPZSHZUGA-NSHDSACASA-N 1 0 371.466 2.253 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)NCc2c(F)cccc2-n2cccn2)CC1 ZINC000454548159 560449050 /nfs/dbraw/zinc/44/90/50/560449050.db2.gz PAUWZSPTOFUGIR-UHFFFAOYSA-N 1 0 357.433 2.461 20 30 FEEDRO CSC1(CNC(=O)NCc2ccc(C#N)c(F)c2)CC[NH+](C)CC1 ZINC000454976677 560465780 /nfs/dbraw/zinc/46/57/80/560465780.db2.gz RHBQRWXIEZOZKY-UHFFFAOYSA-N 1 0 350.463 2.324 20 30 FEEDRO CC[C@H](C)[NH+]1CCN(C(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1 ZINC000455142890 560471656 /nfs/dbraw/zinc/47/16/56/560471656.db2.gz MLJUVKHSUKEIHE-AWEZNQCLSA-N 1 0 353.430 2.087 20 30 FEEDRO C[C@@H]1CN(C(=O)Nc2cccc(CC#N)c2)CCN1C1CC[NH+](C)CC1 ZINC000455906086 560499830 /nfs/dbraw/zinc/49/98/30/560499830.db2.gz MWNRLTOJDXLIHH-MRXNPFEDSA-N 1 0 355.486 2.385 20 30 FEEDRO Cc1cc(C#N)cc(NC(=O)NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c1 ZINC000455958729 560502093 /nfs/dbraw/zinc/50/20/93/560502093.db2.gz SNPZGMARLFTURA-HXUWFJFHSA-N 1 0 364.449 2.407 20 30 FEEDRO CC[C@@H]1C[N@H+](CC)CCN1C(=O)[C@@H]1CCCN(c2nc(C)ccc2C#N)C1 ZINC000456393328 560519031 /nfs/dbraw/zinc/51/90/31/560519031.db2.gz XVVUIMJQICMJMD-RTBURBONSA-N 1 0 369.513 2.421 20 30 FEEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCC[N@@H+]1CCCOCC1 ZINC000458840035 560651265 /nfs/dbraw/zinc/65/12/65/560651265.db2.gz JEDRFEHFQBMGRU-UHFFFAOYSA-N 1 0 362.430 2.015 20 30 FEEDRO C[N@@H+]1CCCC[C@H]1CN1CCN(Cc2c(C#N)cccc2[N+](=O)[O-])CC1 ZINC000459348825 560681462 /nfs/dbraw/zinc/68/14/62/560681462.db2.gz NBFVCTOAJBKFKR-KRWDZBQOSA-N 1 0 357.458 2.068 20 30 FEEDRO CC(C)(C)OC(=O)[C@]1(C)CC[N@H+](CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000459581307 560695918 /nfs/dbraw/zinc/69/59/18/560695918.db2.gz KVISBJUYWVODTI-HXUWFJFHSA-N 1 0 357.454 2.228 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000459873363 560715539 /nfs/dbraw/zinc/71/55/39/560715539.db2.gz WVTLNQDTRRHIFW-MRXNPFEDSA-N 1 0 361.511 2.350 20 30 FEEDRO C[C@H]([NH2+]C1CCN(C(=O)C2CC2)CC1)C(=O)N(CCC#N)c1ccccc1 ZINC000461619900 560776977 /nfs/dbraw/zinc/77/69/77/560776977.db2.gz MXXRRBAHHPXOOL-INIZCTEOSA-N 1 0 368.481 2.312 20 30 FEEDRO C[C@@H](C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)c1cccc(C#N)c1 ZINC000462265318 560803500 /nfs/dbraw/zinc/80/35/00/560803500.db2.gz HPWSJYROOWFNMA-ZEDDUWKQSA-N 1 0 366.509 2.431 20 30 FEEDRO CCCC[N@@H+]1CCCC[C@@H]1CNS(=O)(=O)c1ccc(C#N)cc1OC ZINC000463680257 560821095 /nfs/dbraw/zinc/82/10/95/560821095.db2.gz WIDOOZDRPQUWKP-MRXNPFEDSA-N 1 0 365.499 2.500 20 30 FEEDRO C=CC[C@@H](CC)NC(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000466378126 560885431 /nfs/dbraw/zinc/88/54/31/560885431.db2.gz JYRJYTVKWWWSRT-GOSISDBHSA-N 1 0 364.534 2.365 20 30 FEEDRO N#Cc1ccc([N+](=O)[O-])c(NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000466493433 560887954 /nfs/dbraw/zinc/88/79/54/560887954.db2.gz VDGRKUQLXXBLAY-UHFFFAOYSA-N 1 0 366.425 2.486 20 30 FEEDRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C ZINC000468472060 560930868 /nfs/dbraw/zinc/93/08/68/560930868.db2.gz ZQAABUUNAGMECK-IFXJQAMLSA-N 1 0 351.491 2.485 20 30 FEEDRO C[NH+](C)CCOC1CCN(C(=O)c2cc(-c3cccc(C#N)c3)no2)CC1 ZINC000468772463 560938396 /nfs/dbraw/zinc/93/83/96/560938396.db2.gz AVNJGAMGRQKHMQ-UHFFFAOYSA-N 1 0 368.437 2.396 20 30 FEEDRO COc1cc([C@H](C#N)NC(=O)C[NH+]2[C@H](C)CC[C@H]2C)cc(OC)c1OC ZINC000468945459 560942941 /nfs/dbraw/zinc/94/29/41/560942941.db2.gz ISYHYXBCYLKTOF-NFAWXSAZSA-N 1 0 361.442 2.266 20 30 FEEDRO COCC[N@@H+]1CC[C@H](Nc2ccc3c(c2)CCC(=O)N3CCCC#N)C1 ZINC000469132461 560947942 /nfs/dbraw/zinc/94/79/42/560947942.db2.gz WCIQAAKVXGCQPJ-SFHVURJKSA-N 1 0 356.470 2.402 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)C1CCC(NC(=O)C(C)(C)C)CC1 ZINC000469323519 560952442 /nfs/dbraw/zinc/95/24/42/560952442.db2.gz ZRIQTDAZBPEZJY-UHFFFAOYSA-N 1 0 364.534 2.401 20 30 FEEDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000469328739 560952601 /nfs/dbraw/zinc/95/26/01/560952601.db2.gz PFQUJWKAYGWVSX-INIZCTEOSA-N 1 0 354.410 2.054 20 30 FEEDRO C[NH+]1CCN(c2ccc(NC(=O)[C@@H](C#N)Cc3ccc(C#N)cc3)cn2)CC1 ZINC000470729630 560988253 /nfs/dbraw/zinc/98/82/53/560988253.db2.gz JDRXMRLOLXTEAZ-GOSISDBHSA-N 1 0 374.448 2.026 20 30 FEEDRO C=CCOCCC[NH+]1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000470764776 560989163 /nfs/dbraw/zinc/98/91/63/560989163.db2.gz INWRHDWTHAUQPZ-UHFFFAOYSA-N 1 0 356.463 2.161 20 30 FEEDRO COc1ccc(C#N)cc1C[N@H+](C)C[C@@H]1C[C@H](F)CN1Cc1ncccn1 ZINC000470807690 560990251 /nfs/dbraw/zinc/99/02/51/560990251.db2.gz GTPUDBJDQBMMCN-ROUUACIJSA-N 1 0 369.444 2.401 20 30 FEEDRO COc1cccc(CCC[NH+]2CCN(c3c(C#N)c(C)nn3C)CC2)c1 ZINC000472151290 561019437 /nfs/dbraw/zinc/01/94/37/561019437.db2.gz GHKUSWFLRCWOLZ-UHFFFAOYSA-N 1 0 353.470 2.364 20 30 FEEDRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)COc2cc(Cl)ccc2C#N)C1 ZINC000474327072 561071351 /nfs/dbraw/zinc/07/13/51/561071351.db2.gz BZYMVIHTIXMZQI-MRXNPFEDSA-N 1 0 365.861 2.063 20 30 FEEDRO CC[NH+](CC)CCN(CCOC)S(=O)(=O)CC1(C#N)CCCCC1 ZINC000475810350 561105929 /nfs/dbraw/zinc/10/59/29/561105929.db2.gz PTTRVNFGKCXWPA-UHFFFAOYSA-N 1 0 359.536 2.080 20 30 FEEDRO CC(C)OCCN1CCC([NH2+][C@@H](C)C(=O)NC2(C#N)CCCCC2)CC1 ZINC000476826016 561129317 /nfs/dbraw/zinc/12/93/17/561129317.db2.gz YSXHFDJOZSBIQQ-KRWDZBQOSA-N 1 0 364.534 2.197 20 30 FEEDRO Cn1ncc(C(=O)Nc2ccccc2N2CCC(C[NH+](C)C)CC2)c1C#N ZINC000477139415 561137666 /nfs/dbraw/zinc/13/76/66/561137666.db2.gz PJKKQZSIHFTNBE-UHFFFAOYSA-N 1 0 366.469 2.322 20 30 FEEDRO CC[NH+]1CCN(c2ccccc2NS(=O)(=O)CC2(C#N)CCC2)CC1 ZINC000477161412 561138249 /nfs/dbraw/zinc/13/82/49/561138249.db2.gz DPCUBZWCNIGVPR-UHFFFAOYSA-N 1 0 362.499 2.264 20 30 FEEDRO N#Cc1cc(S(=O)(=O)N[C@@H]2CC[NH2+]C23CCC3)ccc1C(F)(F)F ZINC000528053508 562312683 /nfs/dbraw/zinc/31/26/83/562312683.db2.gz XSMUWDYCOAXOCU-CYBMUJFWSA-N 1 0 359.373 2.140 20 30 FEEDRO Cc1nccc([C@@H]2CCC[N@H+](C[C@@H](O)COc3ccccc3C#N)C2)n1 ZINC000528357137 562324698 /nfs/dbraw/zinc/32/46/98/562324698.db2.gz UDBYOQMGZBNBHL-QZTJIDSGSA-N 1 0 352.438 2.276 20 30 FEEDRO N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@@H](OCC(F)(F)F)C1 ZINC000528386823 562326296 /nfs/dbraw/zinc/32/62/96/562326296.db2.gz JSUZIJVAJGMGMI-LSDHHAIUSA-N 1 0 358.360 2.341 20 30 FEEDRO O=C1c2ccccc2C(=O)N1CC#CCN1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000528387592 562326372 /nfs/dbraw/zinc/32/63/72/562326372.db2.gz DSTUQAHKXPPLHU-SFHVURJKSA-N 1 0 365.477 2.094 20 30 FEEDRO O=C1c2ccccc2C(=O)N1CC#CCN1CCC[N@@H+](C2CCCC2)CC1 ZINC000528388137 562326417 /nfs/dbraw/zinc/32/64/17/562326417.db2.gz OGDGPSZTGNPCKM-UHFFFAOYSA-N 1 0 365.477 2.236 20 30 FEEDRO N#Cc1ccccc1OC[C@@H](O)C[NH+]1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000528399550 562326888 /nfs/dbraw/zinc/32/68/88/562326888.db2.gz WQVNURGYUATFEN-ICSRJNTNSA-N 1 0 374.481 2.348 20 30 FEEDRO CC(C)C[C@H]1OCCC[C@@H]1[NH2+]CC#CCN1C(=O)c2ccccc2C1=O ZINC000528459065 562330540 /nfs/dbraw/zinc/33/05/40/562330540.db2.gz RZIDUOAKYGPLGT-RBUKOAKNSA-N 1 0 354.450 2.469 20 30 FEEDRO CN1CC[C@H]([NH2+]CC#CCN2C(=O)c3ccccc3C2=O)[C@@H]1c1ccccc1 ZINC000528495711 562332240 /nfs/dbraw/zinc/33/22/40/562332240.db2.gz ZPMZRGOCRRDNSZ-SFTDATJTSA-N 1 0 373.456 2.321 20 30 FEEDRO O=C1c2ccccc2C(=O)N1CC#CC[N@@H+]1C[C@H](O)C[C@@H]1c1ccccc1 ZINC000528525163 562334009 /nfs/dbraw/zinc/33/40/09/562334009.db2.gz MIGYJAWLYANDEA-YLJYHZDGSA-N 1 0 360.413 2.094 20 30 FEEDRO N#Cc1ccccc1OC[C@H](O)C[N@H+]1CC[C@@](CO)(c2cccc(F)c2)C1 ZINC000528546036 562335254 /nfs/dbraw/zinc/33/52/54/562335254.db2.gz REMJBQNHCBMTGY-TZIWHRDSSA-N 1 0 370.424 2.073 20 30 FEEDRO N#Cc1ccc(-c2nnc(C[N@H+]3CC4(CCOCC4)CC[C@@H]3CO)o2)cc1 ZINC000528639424 562339629 /nfs/dbraw/zinc/33/96/29/562339629.db2.gz KMPHHPQFBHSDAY-QGZVFWFLSA-N 1 0 368.437 2.362 20 30 FEEDRO Cc1n[nH]c(C)c1NC(=O)C[NH2+]C1(c2ccc(C#N)cc2)CCOCC1 ZINC000528780445 562347340 /nfs/dbraw/zinc/34/73/40/562347340.db2.gz CIUDZCNSVMSKDQ-UHFFFAOYSA-N 1 0 353.426 2.132 20 30 FEEDRO N#CCC1(O)CN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C2CCCC2)C1 ZINC000529066936 562358601 /nfs/dbraw/zinc/35/86/01/562358601.db2.gz CWFZVGWEQASEJA-VQTJNVASSA-N 1 0 367.493 2.412 20 30 FEEDRO CC[C@H]1CN(C(=O)Nc2ccc(COC)c(C#N)c2)CC[N@@H+]1C[C@@H](C)O ZINC000529213590 562365155 /nfs/dbraw/zinc/36/51/55/562365155.db2.gz SJOMHLXDTLHQOT-KDOFPFPSSA-N 1 0 360.458 2.014 20 30 FEEDRO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CC[C@H](Cc2cnn(C)c2)C1 ZINC000530627745 562418343 /nfs/dbraw/zinc/41/83/43/562418343.db2.gz SDZHSYXJHCJCLP-YLJYHZDGSA-N 1 0 355.482 2.453 20 30 FEEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)C[C@H]1C ZINC000531012692 562431864 /nfs/dbraw/zinc/43/18/64/562431864.db2.gz HIXHSHJULDEJMD-IUODEOHRSA-N 1 0 362.861 2.481 20 30 FEEDRO CC1CC(C#N)(C(=O)Nc2ccc(CC[NH+]3CCC(C(N)=O)CC3)cc2)C1 ZINC000532326880 562474094 /nfs/dbraw/zinc/47/40/94/562474094.db2.gz SAICCBYVISCEPL-UHFFFAOYSA-N 1 0 368.481 2.305 20 30 FEEDRO CC[C@@H](C)[C@H]1CCCC[N@@H+]1CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 ZINC000533289955 562503973 /nfs/dbraw/zinc/50/39/73/562503973.db2.gz HSWNPGCJBYHECG-CRAIPNDOSA-N 1 0 373.501 2.404 20 30 FEEDRO C[C@@H]1C[C@@H](CCNC(=O)N2CCO[C@@H](C#N)C2)C[N@@H+]1Cc1ccccc1 ZINC000533578398 562513692 /nfs/dbraw/zinc/51/36/92/562513692.db2.gz ADFLEHFEMGHPHP-QRQLOZEOSA-N 1 0 356.470 2.221 20 30 FEEDRO C[C@@H]1C[C@@H](CCNC(=O)N2CCO[C@H](C#N)C2)C[N@@H+]1Cc1ccccc1 ZINC000533578395 562513701 /nfs/dbraw/zinc/51/37/01/562513701.db2.gz ADFLEHFEMGHPHP-BHIYHBOVSA-N 1 0 356.470 2.221 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(C(F)(F)F)cn2)c1C#N ZINC000534792189 562542474 /nfs/dbraw/zinc/54/24/74/562542474.db2.gz IJRLPMRZTZKPBQ-UHFFFAOYSA-N 1 0 352.320 2.099 20 30 FEEDRO C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)Nc1cccc(F)c1C#N ZINC000535230329 562553633 /nfs/dbraw/zinc/55/36/33/562553633.db2.gz UUEWZGXGLDPCLD-IBGZPJMESA-N 1 0 354.429 2.398 20 30 FEEDRO C=C(C)[C@H](CC(=O)NCCN1CC[NH+](Cc2ccccc2)CC1)OCC ZINC000535911123 562570730 /nfs/dbraw/zinc/57/07/30/562570730.db2.gz LVENZAAJKUPSAS-FQEVSTJZSA-N 1 0 359.514 2.292 20 30 FEEDRO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000540962538 562598579 /nfs/dbraw/zinc/59/85/79/562598579.db2.gz FBRPDYTVRIMQON-RKVPGOIHSA-N 1 0 354.454 2.043 20 30 FEEDRO C[C@@H](C(=O)N(C)C[C@@H]1COc2ccccc2O1)[NH+]1CCC(CC#N)CC1 ZINC000541024852 562600733 /nfs/dbraw/zinc/60/07/33/562600733.db2.gz TYASRWSESMIAEW-DOTOQJQBSA-N 1 0 357.454 2.299 20 30 FEEDRO Cc1nc(C#N)c(N2CCN(C(=O)C[NH2+]C(C)(C)c3cccs3)CC2)o1 ZINC000541638824 562617027 /nfs/dbraw/zinc/61/70/27/562617027.db2.gz XNVLFJGKZVTYED-UHFFFAOYSA-N 1 0 373.482 2.090 20 30 FEEDRO CC(=O)Nc1ccc(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)nc1 ZINC000542044539 562626018 /nfs/dbraw/zinc/62/60/18/562626018.db2.gz BQGWHOXBRCSEJT-UHFFFAOYSA-N 1 0 365.437 2.116 20 30 FEEDRO COc1cc(C#N)ccc1NC(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000546002513 562632493 /nfs/dbraw/zinc/63/24/93/562632493.db2.gz IYXDGIXBQPQUNC-ROUUACIJSA-N 1 0 372.469 2.456 20 30 FEEDRO CN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000550109970 562642708 /nfs/dbraw/zinc/64/27/08/562642708.db2.gz SFLIXDSSAPWRGZ-UHFFFAOYSA-N 1 0 370.497 2.287 20 30 FEEDRO CC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1cc(Br)ccc1C#N ZINC000555947813 674382952 /nfs/dbraw/zinc/38/29/52/674382952.db2.gz COEDYAMWGXAIAP-CYBMUJFWSA-N 1 0 372.288 2.083 20 30 FEEDRO N#Cc1ccc(N2CCC[C@H](NC(=O)NCCC[NH+]3CCCC3)C2)c(F)c1 ZINC000609470652 567842718 /nfs/dbraw/zinc/84/27/18/567842718.db2.gz XCUABSYVBJTYBG-KRWDZBQOSA-N 1 0 373.476 2.451 20 30 FEEDRO Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CCN(CCC#N)CC1)[NH+](C)C ZINC000602312076 567965969 /nfs/dbraw/zinc/96/59/69/567965969.db2.gz PMYZOUIEFPJCFQ-HKUYNNGSSA-N 1 0 357.502 2.227 20 30 FEEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000602557803 567991377 /nfs/dbraw/zinc/99/13/77/567991377.db2.gz JGANRLKZLFIOJJ-GHTZIAJQSA-N 1 0 357.498 2.312 20 30 FEEDRO C=CC[C@@]1(C(=O)N2CCC(c3ncc(C(=O)OC)s3)CC2)CCC[NH2+]1 ZINC000602537733 567992415 /nfs/dbraw/zinc/99/24/15/567992415.db2.gz AGKMSOACQLWJET-SFHVURJKSA-N 1 0 363.483 2.334 20 30 FEEDRO N#CCN1CCC([NH2+]Cc2ccc(I)s2)CC1 ZINC000602539064 567992696 /nfs/dbraw/zinc/99/26/96/567992696.db2.gz QINNKGVMLZHYIQ-UHFFFAOYSA-N 1 0 361.252 2.430 20 30 FEEDRO C[C@@H]1C[N@@H+](C[C@@H](O)COc2ccccc2C(F)(F)F)C[C@H](C)N1CC#N ZINC000602856036 568002368 /nfs/dbraw/zinc/00/23/68/568002368.db2.gz YCPUHPBNCZRCGQ-QLFBSQMISA-N 1 0 371.403 2.363 20 30 FEEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1CCN(C(=O)COc2ccccc2)C1 ZINC000602659735 568011843 /nfs/dbraw/zinc/01/18/43/568011843.db2.gz WCIGKYVOHIDRKP-ZWKOTPCHSA-N 1 0 371.481 2.355 20 30 FEEDRO COc1ccc(N2C[C@@H]([NH2+][C@@H](C)CC3(C#N)CCOCC3)CC2=O)cc1 ZINC000602709897 568018849 /nfs/dbraw/zinc/01/88/49/568018849.db2.gz JPPZFKBYMPPMDM-HOTGVXAUSA-N 1 0 357.454 2.489 20 30 FEEDRO CNC(=O)[C@H](C[NH2+]Cc1cc(C#N)cs1)Cc1ccc(OC)c(F)c1 ZINC000568390765 568036546 /nfs/dbraw/zinc/03/65/46/568036546.db2.gz IASMXOWXFJEDFH-AWEZNQCLSA-N 1 0 361.442 2.462 20 30 FEEDRO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N(C)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000603554264 568116440 /nfs/dbraw/zinc/11/64/40/568116440.db2.gz VURYPQFCVDUMFF-VFNWGFHPSA-N 1 0 370.497 2.454 20 30 FEEDRO N#Cc1c(NCC(=O)NCC[NH+]2CCCCCC2)cccc1-n1cccn1 ZINC000568768132 568195938 /nfs/dbraw/zinc/19/59/38/568195938.db2.gz HLZNENIEDCYQHQ-UHFFFAOYSA-N 1 0 366.469 2.148 20 30 FEEDRO CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)N2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000330302680 568197944 /nfs/dbraw/zinc/19/79/44/568197944.db2.gz OQNIXGJSOBAZSE-IYBDPMFKSA-N 1 0 366.506 2.231 20 30 FEEDRO N#CCc1ccc(CS(=O)(=O)NC[C@@H]2[NH2+]CCc3ccccc32)cc1 ZINC000563138193 568273107 /nfs/dbraw/zinc/27/31/07/568273107.db2.gz WSQLRGOMHDXRGQ-IBGZPJMESA-N 1 0 355.463 2.059 20 30 FEEDRO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000604541749 568309734 /nfs/dbraw/zinc/30/97/34/568309734.db2.gz IQEARUQTZRPWLH-RTBURBONSA-N 1 0 358.461 2.409 20 30 FEEDRO N#Cc1ccc(C[NH2+][C@H](CC(N)=O)C2CCOCC2)c(Br)c1 ZINC000181980720 568328893 /nfs/dbraw/zinc/32/88/93/568328893.db2.gz LVYFLVHGJOUHQU-OAHLLOKOSA-N 1 0 366.259 2.081 20 30 FEEDRO C[NH+](C)CCOc1ccc(NC(=O)C(=O)Nc2ccc(C#N)c(F)c2)cc1 ZINC000569294800 568343465 /nfs/dbraw/zinc/34/34/65/568343465.db2.gz JXKVSFNWTUJFLY-UHFFFAOYSA-N 1 0 370.384 2.215 20 30 FEEDRO COC(=O)c1cccc(C[NH2+][C@@H]2CCCC[C@H]2N2CCOCC2)c1C#N ZINC000569777933 568423907 /nfs/dbraw/zinc/42/39/07/568423907.db2.gz UTCJXOXTAPSYRG-RTBURBONSA-N 1 0 357.454 2.078 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C=Cc2ccccc2-c2nn[nH]n2)CC1 ZINC000735398481 598361232 /nfs/dbraw/zinc/36/12/32/598361232.db2.gz HSMGZLKORONODQ-BQYQJAHWSA-N 1 0 352.442 2.037 20 30 FEEDRO N#Cc1ccccc1CN1CCC[N@H+](Cc2ccccc2-c2nn[nH]n2)CC1 ZINC000737727006 598417312 /nfs/dbraw/zinc/41/73/12/598417312.db2.gz BDRPSYFDURIGOC-UHFFFAOYSA-N 1 0 373.464 2.446 20 30 FEEDRO N#Cc1ncn(CCNc2ccnc3c(Br)ccc(F)c23)n1 ZINC000557429296 674448757 /nfs/dbraw/zinc/44/87/57/674448757.db2.gz SOOGSXJXWMTRSQ-UHFFFAOYSA-N 1 0 361.178 2.134 20 30 FEEDRO N#Cc1ccnc(N[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2CO)c1Cl ZINC000557625275 674458017 /nfs/dbraw/zinc/45/80/17/674458017.db2.gz LFWMIIVJKSFAGI-IRXDYDNUSA-N 1 0 356.857 2.902 20 30 FEEDRO C[C@@H]([NH2+]CCC(=O)Nc1cccc(-c2nn[nH]n2)c1)c1cccc(C#N)c1 ZINC000824585464 608490745 /nfs/dbraw/zinc/49/07/45/608490745.db2.gz QPDGVWBTKQWLDA-CYBMUJFWSA-N 1 0 361.409 2.418 20 30 FEEDRO Cn1cc(C[NH2+]Cc2ccc(C#N)cc2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361715 609337630 /nfs/dbraw/zinc/33/76/30/609337630.db2.gz KTUOQTLBJLHDDU-UHFFFAOYSA-N 1 0 370.420 2.429 20 30 FEEDRO C[NH+](C)C[C@H](NC(=O)C(=O)Nc1sccc1C#N)c1ccc(F)cc1 ZINC000559909748 674560077 /nfs/dbraw/zinc/56/00/77/674560077.db2.gz PVASXVRCIYTRJQ-AWEZNQCLSA-N 1 0 360.414 2.116 20 30 FEEDRO C#C[C@H](NC(=O)NCC(C)(C)N1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000811998586 674645795 /nfs/dbraw/zinc/64/57/95/674645795.db2.gz TWVAGDMTGLZLRU-KRWDZBQOSA-N 1 0 362.905 2.340 20 30 FEEDRO CCCCCC[N@H+](C)CC(=O)N1CCN(c2snc(C)c2C#N)CC1 ZINC000812271581 674660794 /nfs/dbraw/zinc/66/07/94/674660794.db2.gz NZAAZGJGKCLUPF-UHFFFAOYSA-N 1 0 363.531 2.484 20 30 FEEDRO CC(C)N(CC[NH+]1CCCCCC1)S(=O)(=O)c1ccc(C#N)nc1 ZINC000561553497 674678899 /nfs/dbraw/zinc/67/88/99/674678899.db2.gz VQPBLYNBDQAFNA-UHFFFAOYSA-N 1 0 350.488 2.228 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N(C)[C@H]1CC(C)(C)OC1=O)C(C)C ZINC000813582098 674760418 /nfs/dbraw/zinc/76/04/18/674760418.db2.gz FOPGPVFNHYZDQX-JKSUJKDBSA-N 1 0 351.491 2.421 20 30 FEEDRO C=C(C)[C@@H](NC(=O)C(=O)NCCC[NH2+]C(C)C)c1ccc(F)c(F)c1 ZINC000562825793 674813906 /nfs/dbraw/zinc/81/39/06/674813906.db2.gz YWMGEGGITJDKIF-MRXNPFEDSA-N 1 0 353.413 2.203 20 30 FEEDRO C[C@@H]1CCC[C@H](NC(=S)NN=C2CC[NH+](CC(C)(C)O)CC2)[C@@H]1C ZINC000814215213 674826779 /nfs/dbraw/zinc/82/67/79/674826779.db2.gz MQFXFZREXJDLBI-FMKPAKJESA-N 1 0 354.564 2.498 20 30 FEEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCC[C@H]1CCNC1=O ZINC000563411246 674883885 /nfs/dbraw/zinc/88/38/85/674883885.db2.gz AZHXZDUQYVUBIB-OAHLLOKOSA-N 1 0 363.531 2.111 20 30 FEEDRO C#CC[N@H+](C)CCCNS(=O)(=O)/C=C\c1cccc(Br)c1 ZINC000815083267 674914556 /nfs/dbraw/zinc/91/45/56/674914556.db2.gz VBOZAENKIZNTSP-WQLSENKSSA-N 1 0 371.300 2.294 20 30 FEEDRO C#CCNC(=O)CC[NH2+][C@H]1CCN(CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000815112518 674920788 /nfs/dbraw/zinc/92/07/88/674920788.db2.gz TYGGLKBODGDNMV-FUHWJXTLSA-N 1 0 351.853 2.344 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cc(Cl)c(C)c(Cl)c1 ZINC000815860691 674978905 /nfs/dbraw/zinc/97/89/05/674978905.db2.gz WXIDNNOIRKCHPJ-UHFFFAOYSA-N 1 0 356.253 2.312 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[C@H](C[NH2+]Cc2cnns2)CC1 ZINC001048616315 675012289 /nfs/dbraw/zinc/01/22/89/675012289.db2.gz JREQVGDTDNCNHT-SRABZTEZSA-N 1 0 364.515 2.141 20 30 FEEDRO C[C@H]([NH3+])C1CCN(S(=O)(=O)c2cccc(Br)c2C#N)CC1 ZINC000564570166 675038791 /nfs/dbraw/zinc/03/87/91/675038791.db2.gz TZMPBRVQJIKKCI-JTQLQIEISA-N 1 0 372.288 2.069 20 30 FEEDRO C[C@H](CN1C[C@H](C)C[C@H](C)C1)[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000564845863 675067368 /nfs/dbraw/zinc/06/73/68/675067368.db2.gz FCCZHQJPHPUNFU-IXDOHACOSA-N 1 0 363.527 2.288 20 30 FEEDRO C=CCCOCC[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000564850190 675067949 /nfs/dbraw/zinc/06/79/49/675067949.db2.gz UZAWQMKJXAGEMW-UHFFFAOYSA-N 1 0 362.289 2.405 20 30 FEEDRO CCOC(=O)c1c(C)[nH]c(C(=O)C(C(=S)NC)[n+]2ccccc2)c1C ZINC000022734638 670043475 /nfs/dbraw/zinc/04/34/75/670043475.db2.gz MGJQORYKKSPBLX-UHFFFAOYSA-O 1 0 360.459 2.254 20 30 FEEDRO C[C@H]1CN(S(=O)(=O)CC2(C#N)CCC2)CC[N@H+](Cc2ccccc2)C1 ZINC000569796610 670613614 /nfs/dbraw/zinc/61/36/14/670613614.db2.gz YDISEFNRMJHOKN-QGZVFWFLSA-N 1 0 361.511 2.464 20 30 FEEDRO CC[NH+]=C(NCc1ccc(Br)s1)NCc1ccnn1C ZINC000083856907 670661829 /nfs/dbraw/zinc/66/18/29/670661829.db2.gz DGKVMXUINYJFME-UHFFFAOYSA-N 1 0 356.293 2.499 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+]CCc2ccc3c(c2)CCO3)cc1 ZINC000570510062 670724814 /nfs/dbraw/zinc/72/48/14/670724814.db2.gz WMBHBVZXVFPJRT-UHFFFAOYSA-N 1 0 356.447 2.099 20 30 FEEDRO CC(C)c1cccc(/N=C2\NC(=O)C(CC(=O)NCC[NH+](C)C)S2)c1 ZINC000106898583 670815677 /nfs/dbraw/zinc/81/56/77/670815677.db2.gz UCVTZNCUJLMXQE-HNNXBMFYSA-N 1 0 362.499 2.097 20 30 FEEDRO COc1ccc(Cl)cc1NC(=O)CON=C(N)C[NH+]1CCCCCC1 ZINC000111178720 670855628 /nfs/dbraw/zinc/85/56/28/670855628.db2.gz ISPJUUAYALUNHM-UHFFFAOYSA-N 1 0 368.865 2.452 20 30 FEEDRO C[C@H](ON=C(N)C[NH+]1CCCCCC1)C(=O)Nc1ccc(F)c(F)c1 ZINC000113250048 670882346 /nfs/dbraw/zinc/88/23/46/670882346.db2.gz WTOCJSBAQNUKFL-LBPRGKRZSA-N 1 0 354.401 2.457 20 30 FEEDRO O=C(NCC[NH2+]Cc1cccc(OC(F)(F)F)c1)C1N=CC=CC1=O ZINC000113360907 670884124 /nfs/dbraw/zinc/88/41/24/670884124.db2.gz JOYDEJAALRXDOS-PFONDFGASA-N 1 0 355.316 2.201 20 30 FEEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 ZINC000573528615 671133485 /nfs/dbraw/zinc/13/34/85/671133485.db2.gz DEJIWLMTXPVVDH-MAZHCROVSA-N 1 0 364.877 2.075 20 30 FEEDRO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)[NH2+]CCS(=O)(=O)c1cccc(C#N)c1 ZINC000566110038 675181770 /nfs/dbraw/zinc/18/17/70/675181770.db2.gz WVLPKKOEKUJRGU-BBWFWOEESA-N 1 0 363.527 2.288 20 30 FEEDRO CN(CCC#N)C[C@H](O)C[NH2+][C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000574312739 671225737 /nfs/dbraw/zinc/22/57/37/671225737.db2.gz RVXQYCDSTOKOOJ-OWCLPIDISA-N 1 0 352.276 2.101 20 30 FEEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+]CCC[C@H]2CCCC[C@H]2O)c1 ZINC000574323753 671226660 /nfs/dbraw/zinc/22/66/60/671226660.db2.gz ILSITTWIWYURGM-SJLPKXTDSA-N 1 0 350.484 2.253 20 30 FEEDRO C=CCOc1c(Br)cc(C[NH2+]C2CN(C(C)=O)C2)cc1OC ZINC000575136888 671300732 /nfs/dbraw/zinc/30/07/32/671300732.db2.gz MWVDQYCTRRZFFO-UHFFFAOYSA-N 1 0 369.259 2.343 20 30 FEEDRO N#Cc1cc(Br)cc(S(=O)(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000566224482 675195649 /nfs/dbraw/zinc/19/56/49/675195649.db2.gz OIBCZEXCFNDDLK-GXFFZTMASA-N 1 0 372.288 2.117 20 30 FEEDRO N#Cc1c(Cl)cccc1S(=O)(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000576989933 671409243 /nfs/dbraw/zinc/40/92/43/671409243.db2.gz KQOFAHCXADWZBV-UHFFFAOYSA-N 1 0 353.875 2.366 20 30 FEEDRO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCSC3(CCC3)CC2)CC1 ZINC000577349148 671589542 /nfs/dbraw/zinc/58/95/42/671589542.db2.gz NAOPVRSGOGZZGS-KRWDZBQOSA-N 1 0 364.559 2.040 20 30 FEEDRO N#Cc1c(Br)cccc1S(=O)(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000577632436 671609995 /nfs/dbraw/zinc/60/99/95/671609995.db2.gz MASXXRGWPHQNGW-MFKMUULPSA-N 1 0 372.288 2.117 20 30 FEEDRO C[C@@H](CNC(=O)C(=O)Nc1ccccc1SCCC#N)[NH+]1CCCC1 ZINC000609400941 675921345 /nfs/dbraw/zinc/92/13/45/675921345.db2.gz HDBFDPAMENSANF-AWEZNQCLSA-N 1 0 360.483 2.231 20 30 FEEDRO CN(CCC#N)C[C@H](O)C[NH2+][C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000578998189 671704784 /nfs/dbraw/zinc/70/47/84/671704784.db2.gz PBSMOXSVYKQRRR-OLMNPRSZSA-N 1 0 368.884 2.020 20 30 FEEDRO C[C@@H]1CN(C(=O)c2ccc(Cl)c(C#N)c2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000579177076 671716822 /nfs/dbraw/zinc/71/68/22/671716822.db2.gz OGXVJWZFCRJJND-RDTXWAMCSA-N 1 0 360.889 2.310 20 30 FEEDRO CC(C)(C)[C@@H]1OCCC[C@H]1C[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000582960068 672049968 /nfs/dbraw/zinc/04/99/68/672049968.db2.gz YJTVIKSRDYLMKQ-DOTOQJQBSA-N 1 0 365.499 2.158 20 30 FEEDRO CC(C)(C)[C@H]1OCCC[C@@H]1C[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000582960071 672050150 /nfs/dbraw/zinc/05/01/50/672050150.db2.gz YJTVIKSRDYLMKQ-WBVHZDCISA-N 1 0 365.499 2.158 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2cccnc2SC(F)F)c1C#N ZINC000133462256 672111245 /nfs/dbraw/zinc/11/12/45/672111245.db2.gz PVPQUDWVRPJVHK-UHFFFAOYSA-N 1 0 366.397 2.395 20 30 FEEDRO CC[NH+](CC)CCOC1CCN(S(=O)(=O)CCC(C)(C)C#N)CC1 ZINC000583962104 672142424 /nfs/dbraw/zinc/14/24/24/672142424.db2.gz DVODHDHODNXPIW-UHFFFAOYSA-N 1 0 359.536 2.079 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)NCCOc2ncc(Cl)cc2Cl)CC1 ZINC000152213962 672177007 /nfs/dbraw/zinc/17/70/07/672177007.db2.gz ZUHSKOAEQAHCJZ-UHFFFAOYSA-N 1 0 356.253 2.229 20 30 FEEDRO CC(=O)OC1CC[NH+](CCC(=O)Nc2sc3c(c2C#N)CCC3)CC1 ZINC000153511409 672199753 /nfs/dbraw/zinc/19/97/53/672199753.db2.gz LYIFMLZRJMDVDZ-UHFFFAOYSA-N 1 0 361.467 2.465 20 30 FEEDRO C#CCCOc1ccc(C[N@H+]2CCCC[C@@H]2CCNS(C)(=O)=O)cc1 ZINC000159426875 672281937 /nfs/dbraw/zinc/28/19/37/672281937.db2.gz XRJDVCVJPHQGPI-GOSISDBHSA-N 1 0 364.511 2.383 20 30 FEEDRO CCN(C1CC[NH+](CCCOc2ccc(C#N)cc2)CC1)S(C)(=O)=O ZINC000171000982 672328284 /nfs/dbraw/zinc/32/82/84/672328284.db2.gz VMGWICKGAMPJMI-UHFFFAOYSA-N 1 0 365.499 2.073 20 30 FEEDRO C=C(Br)CNC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000175389242 672368160 /nfs/dbraw/zinc/36/81/60/672368160.db2.gz LPXOCPBUWRCBMH-UHFFFAOYSA-N 1 0 374.323 2.477 20 30 FEEDRO C[NH+]=C(NCc1ccc(Cl)s1)N1CCN(C[C@H]2CCOC2)CC1 ZINC000179077551 672398793 /nfs/dbraw/zinc/39/87/93/672398793.db2.gz MEXFNLGJWAATBP-CYBMUJFWSA-N 1 0 356.923 2.131 20 30 FEEDRO CNS(=O)(=O)Cc1ccc(C[NH2+][C@H]2CCc3ccc(C#N)cc32)cc1 ZINC000589337906 672522260 /nfs/dbraw/zinc/52/22/60/672522260.db2.gz DPDJXYVGIOAXLM-IBGZPJMESA-N 1 0 355.463 2.385 20 30 FEEDRO COCCNC(=[NH2+])NCc1cc(Br)ccc1Br ZINC000186888310 672557915 /nfs/dbraw/zinc/55/79/15/672557915.db2.gz MNKPPJGUBLYKPY-UHFFFAOYSA-N 1 0 365.069 2.262 20 30 FEEDRO CN(CCC#N)C[C@H](O)C[NH2+][C@H]1CCc2c1cccc2Br ZINC000591733524 672706239 /nfs/dbraw/zinc/70/62/39/672706239.db2.gz BSMWQHBTVKUILW-WBMJQRKESA-N 1 0 352.276 2.232 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+]C[C@@H]2OCCc3ccccc32)cc1 ZINC000591739524 672706696 /nfs/dbraw/zinc/70/66/96/672706696.db2.gz AVJYTFPLRJKPIT-IBGZPJMESA-N 1 0 356.447 2.236 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+]C[C@H]2CCc3ccccc3C2)nc1 ZINC000591741833 672707089 /nfs/dbraw/zinc/70/70/89/672707089.db2.gz UYNZKDOQVFBEOD-HNNXBMFYSA-N 1 0 355.463 2.122 20 30 FEEDRO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+]CCS(=O)(=O)c1cccc(C#N)c1 ZINC000591764232 672709032 /nfs/dbraw/zinc/70/90/32/672709032.db2.gz YJUIFIJGPZPNGX-IBGZPJMESA-N 1 0 351.431 2.481 20 30 FEEDRO C[C@H]([NH2+]C[C@@H](O)CN(C)CCC#N)c1ccc(F)c(Br)c1 ZINC000591767864 672709522 /nfs/dbraw/zinc/70/95/22/672709522.db2.gz WQARFJYMIGAVRC-WCQYABFASA-N 1 0 358.255 2.445 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000682035477 672729056 /nfs/dbraw/zinc/72/90/56/672729056.db2.gz ZDSDQYSXUDZERX-MRXNPFEDSA-N 1 0 365.543 2.040 20 30 FEEDRO CSc1ccc([C@H](CNC(=O)N2CC[C@](O)(CC#N)C2)[NH+](C)C)cc1 ZINC000592026535 672736027 /nfs/dbraw/zinc/73/60/27/672736027.db2.gz AWOZIJNOPKIAIR-FUHWJXTLSA-N 1 0 362.499 2.071 20 30 FEEDRO CC(C)N([C@@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)N(C)CCC#N ZINC000592085395 672751655 /nfs/dbraw/zinc/75/16/55/672751655.db2.gz ZNMMUSPVGALNJR-GOSISDBHSA-N 1 0 364.515 2.062 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](C(=O)OC)C1 ZINC000592127450 672761454 /nfs/dbraw/zinc/76/14/54/672761454.db2.gz FOOGFGXUSUFANI-IIAWOOMASA-N 1 0 350.484 2.392 20 30 FEEDRO C[C@H]1CCCN(S(=O)(=O)c2cccc(Br)c2C#N)[C@@H]1C[NH3+] ZINC000592370513 672793074 /nfs/dbraw/zinc/79/30/74/672793074.db2.gz JGYQTOIPDHHZHI-GXFFZTMASA-N 1 0 372.288 2.069 20 30 FEEDRO N#Cc1ccsc1NC(=O)CC[NH2+][C@@H]([C@@H]1CCCO1)C1(CO)CCC1 ZINC000592432188 672801749 /nfs/dbraw/zinc/80/17/49/672801749.db2.gz KUTZXJCIEXINPZ-HOCLYGCPSA-N 1 0 363.483 2.248 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)[C@H]1CSCN1C(=O)CC)C(C)C ZINC000592884763 672851197 /nfs/dbraw/zinc/85/11/97/672851197.db2.gz AVJMTNFXYIWGAV-HZPDHXFCSA-N 1 0 353.532 2.113 20 30 FEEDRO C[N@@H+]1CCN(CC(=O)Nc2sccc2C#N)[C@H](Cc2ccccc2)C1 ZINC000593088874 672874190 /nfs/dbraw/zinc/87/41/90/672874190.db2.gz MQMXTJCDZQFPGE-QGZVFWFLSA-N 1 0 354.479 2.417 20 30 FEEDRO CCN1C(=O)[C@H](CC(=O)NCCC[NH+](C)C)SC1=Nc1ccccc1 ZINC000255625432 672894727 /nfs/dbraw/zinc/89/47/27/672894727.db2.gz DAZFVMNVBBFUCB-HNNXBMFYSA-N 1 0 362.499 2.096 20 30 FEEDRO CC[NH+]=C(NC[C@]1(C)CCOC1)N[C@H]1CCN(c2ncccc2Cl)C1 ZINC000261722800 672902057 /nfs/dbraw/zinc/90/20/57/672902057.db2.gz IOWYEKIOCMJZBZ-KSSFIOAISA-N 1 0 365.909 2.295 20 30 FEEDRO C[NH+]=C(NC[C@@H]1CCN(CC(F)(F)F)C1)N1CCSC(C)(C)C1 ZINC000261768563 672903106 /nfs/dbraw/zinc/90/31/06/672903106.db2.gz DNPAMXVSRBBODF-LBPRGKRZSA-N 1 0 352.470 2.273 20 30 FEEDRO C[NH+]=C(NCC1(O)CCCCC1)N[C@@H]1CCN(c2ncccc2Cl)C1 ZINC000261834181 672904125 /nfs/dbraw/zinc/90/41/25/672904125.db2.gz VVXUVVYOOYQLFY-CQSZACIVSA-N 1 0 365.909 2.174 20 30 FEEDRO CC[C@@H](C)NC(=[NH2+])NCc1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1 ZINC000261888429 672905093 /nfs/dbraw/zinc/90/50/93/672905093.db2.gz SLWSHFOCPFUOFZ-LSDHHAIUSA-N 1 0 366.531 2.310 20 30 FEEDRO CC[NH+]=C(N[C@@H]1C[C@@H]1Cc1ccccc1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000262005130 672907272 /nfs/dbraw/zinc/90/72/72/672907272.db2.gz VJXAPGPDKJBOMW-DLBZAZTESA-N 1 0 363.527 2.092 20 30 FEEDRO C[NH+]=C(NCC1(SC)CCOCC1)N1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000262005171 672907332 /nfs/dbraw/zinc/90/73/32/672907332.db2.gz VKQSYFUTEIVCBL-HOTGVXAUSA-N 1 0 365.547 2.254 20 30 FEEDRO C[NH+]=C(NCCNc1ncc(Cl)cc1Cl)N1CC[C@@]2(CCOC2)C1 ZINC000262010587 672907423 /nfs/dbraw/zinc/90/74/23/672907423.db2.gz WMAFTJVZISJXJK-MRXNPFEDSA-N 1 0 372.300 2.488 20 30 FEEDRO CC[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000262232588 672911353 /nfs/dbraw/zinc/91/13/53/672911353.db2.gz MMLWOWJKEHRNER-LUKYLMHMSA-N 1 0 355.548 2.335 20 30 FEEDRO O=S1(=O)CC[C@H](CNC(NC[C@@H]2CCCS2)=[NH+]C2CCCCC2)C1 ZINC000262344678 672913812 /nfs/dbraw/zinc/91/38/12/672913812.db2.gz DEFDWNRKMZRSKQ-ZBFHGGJFSA-N 1 0 373.588 2.185 20 30 FEEDRO CS(=O)(=O)c1ccc(CNC(=[NH2+])NC2CCCC2)cc1C(F)(F)F ZINC000262785259 672920975 /nfs/dbraw/zinc/92/09/75/672920975.db2.gz MGODSCVOLINSCQ-UHFFFAOYSA-N 1 0 363.405 2.456 20 30 FEEDRO N#Cc1cc(Br)ccc1CC(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000593455470 672926199 /nfs/dbraw/zinc/92/61/99/672926199.db2.gz ULHMMJZKBBVOMR-INIZCTEOSA-N 1 0 362.271 2.464 20 30 FEEDRO Cn1cc(Br)c(CNC(=[NH2+])N[C@H]2CCOc3ccccc32)n1 ZINC000263069509 672926885 /nfs/dbraw/zinc/92/68/85/672926885.db2.gz GMCIZEOSCDFSDB-LBPRGKRZSA-N 1 0 364.247 2.111 20 30 FEEDRO N#CCCCNC(=O)C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000593582063 672950412 /nfs/dbraw/zinc/95/04/12/672950412.db2.gz TUGFSACQNMDVNG-UHFFFAOYSA-N 1 0 360.483 2.233 20 30 FEEDRO CC(C)NS(=O)(=O)Cc1ccccc1CNC(=[NH2+])N1CCC[C@@H](C)C1 ZINC000303777446 673017385 /nfs/dbraw/zinc/01/73/85/673017385.db2.gz ITKIFVBDHLNIDB-OAHLLOKOSA-N 1 0 366.531 2.061 20 30 FEEDRO COc1ccc(NC(=[NH2+])NC[C@H](C(C)C)N2CCOCC2)cc1Cl ZINC000303783932 673017609 /nfs/dbraw/zinc/01/76/09/673017609.db2.gz ORKVZQQUUILIGP-OAHLLOKOSA-N 1 0 354.882 2.432 20 30 FEEDRO COc1ccc(CCNC(=[NH2+])NCCc2cccs2)c(OC)c1OC ZINC000303882661 673018321 /nfs/dbraw/zinc/01/83/21/673018321.db2.gz LTIYFJKXNWZQPW-UHFFFAOYSA-N 1 0 363.483 2.463 20 30 FEEDRO COc1ccc(OC)c(NC(=[NH2+])NCCCNC(=O)c2cccs2)c1 ZINC000303969756 673019122 /nfs/dbraw/zinc/01/91/22/673019122.db2.gz CCAKFAAYJYGYHU-UHFFFAOYSA-N 1 0 362.455 2.312 20 30 FEEDRO CCCNC(=[NH2+])NC[C@@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1 ZINC000303990113 673019821 /nfs/dbraw/zinc/01/98/21/673019821.db2.gz YGTOOZLNWLLOGJ-HNNXBMFYSA-N 1 0 358.408 2.393 20 30 FEEDRO C=C(C)CNC(=[NH2+])NCCC(=O)N(C)Cc1ccccc1Br ZINC000304745884 673020107 /nfs/dbraw/zinc/02/01/07/673020107.db2.gz FILLVCCLATWSPV-UHFFFAOYSA-N 1 0 367.291 2.278 20 30 FEEDRO Cc1nc(C)c(CNC(=[NH2+])N2CCN(C(=O)OC(C)(C)C)CC2)s1 ZINC000304764378 673020929 /nfs/dbraw/zinc/02/09/29/673020929.db2.gz XZFBMDVQMPJXBS-UHFFFAOYSA-N 1 0 353.492 2.127 20 30 FEEDRO CC(C)CCC[C@@H](C)NC(=[NH2+])NCCN(C)S(=O)(=O)c1cccs1 ZINC000305207900 673021087 /nfs/dbraw/zinc/02/10/87/673021087.db2.gz ORZNQDQQJNUOMW-CQSZACIVSA-N 1 0 374.576 2.488 20 30 FEEDRO N#Cc1cc(NC(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)ccc1Cl ZINC000594325124 673058829 /nfs/dbraw/zinc/05/88/29/673058829.db2.gz BGXIHOCSKAIWIJ-JKSUJKDBSA-N 1 0 360.845 2.283 20 30 FEEDRO CCOC(=O)c1sc([C@@H](C)NC(=O)[C@H]([NH3+])CCCCC#N)nc1C ZINC000594445791 673072738 /nfs/dbraw/zinc/07/27/38/673072738.db2.gz MCWRJZIZEHELNB-VXGBXAGGSA-N 1 0 352.460 2.217 20 30 FEEDRO Cc1ncc(CN2CCN(C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@@H]34)CC2)s1 ZINC000329498060 673078524 /nfs/dbraw/zinc/07/85/24/673078524.db2.gz XSJNBJGYEAUXAW-SJORKVTESA-N 1 0 363.531 2.110 20 30 FEEDRO CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000329944402 673084692 /nfs/dbraw/zinc/08/46/92/673084692.db2.gz IJXANPKSXNCENK-MRXNPFEDSA-N 1 0 357.520 2.022 20 30 FEEDRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NCCC2CCCCC2)CC1 ZINC000330136356 673086092 /nfs/dbraw/zinc/08/60/92/673086092.db2.gz NGXNOUONCSIZJL-KRWDZBQOSA-N 1 0 350.507 2.109 20 30 FEEDRO O=C(NCc1nc(C(F)(F)F)n[nH]1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000330165951 673086511 /nfs/dbraw/zinc/08/65/11/673086511.db2.gz XNDSOYJJDARBCT-UHFFFAOYSA-N 1 0 360.384 2.045 20 30 FEEDRO N#Cc1cccc(OC2CCN(C(=O)N[C@H](C[NH3+])C(F)(F)F)CC2)c1 ZINC000594523949 673095055 /nfs/dbraw/zinc/09/50/55/673095055.db2.gz FOZCYRBACASWSG-CQSZACIVSA-N 1 0 356.348 2.001 20 30 FEEDRO COCCN(Cc1ccc(C#N)cc1)C(=S)NCC(C)(C)C[NH+](C)C ZINC000727082899 673154457 /nfs/dbraw/zinc/15/44/57/673154457.db2.gz OINCWDZDEOFBIX-UHFFFAOYSA-N 1 0 362.543 2.469 20 30 FEEDRO C[N@H+](CCc1ccccc1)[C@H]1CCN(S(=O)(=O)c2ccc(C#N)o2)C1 ZINC000594851071 673163333 /nfs/dbraw/zinc/16/33/33/673163333.db2.gz ZMDBYDXNVUEPBK-INIZCTEOSA-N 1 0 359.451 2.089 20 30 FEEDRO COc1ccc(C[NH2+][C@H]2CC[C@H](C)S(=O)(=O)C2)cc1OCCCC#N ZINC000594973969 673181531 /nfs/dbraw/zinc/18/15/31/673181531.db2.gz IKRONJMSKYXEJA-HOCLYGCPSA-N 1 0 366.483 2.433 20 30 FEEDRO C[C@@H]1C[C@H](NC(=O)N2CCN(c3ccsc3C#N)CC2)C[N@@H+]1C1CC1 ZINC000595553435 673265623 /nfs/dbraw/zinc/26/56/23/673265623.db2.gz HEPKZILDXADQEB-KGLIPLIRSA-N 1 0 359.499 2.077 20 30 FEEDRO COc1cc(C)c(C(C)=NNC(=S)NCCC[NH+](C)C)cc1OC ZINC000731930789 673348637 /nfs/dbraw/zinc/34/86/37/673348637.db2.gz MAXKGECZUSZOCC-UHFFFAOYSA-N 1 0 352.504 2.152 20 30 FEEDRO C[C@H](c1ccccc1)[C@@H](O)C[NH2+]CCS(=O)(=O)c1cccc(C#N)c1 ZINC000596068219 673355473 /nfs/dbraw/zinc/35/54/73/673355473.db2.gz GESVQKRYPHDASX-BEFAXECRSA-N 1 0 358.463 2.086 20 30 FEEDRO CCc1nc(C#N)cc(N2CC[NH+](CCCOCC(F)(F)F)CC2)n1 ZINC000596087872 673357248 /nfs/dbraw/zinc/35/72/48/673357248.db2.gz JZNXGRMIYVPNIU-UHFFFAOYSA-N 1 0 357.380 2.002 20 30 FEEDRO C=CCOc1ccc(C[NH2+][C@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)cc1 ZINC000537385873 673387175 /nfs/dbraw/zinc/38/71/75/673387175.db2.gz RIOQSGIOGWGFLE-FUHWJXTLSA-N 1 0 351.468 2.077 20 30 FEEDRO C[NH+](C)CCC[C@@H]1CN(c2ncc(Br)cc2C#N)CCO1 ZINC000596566366 673394224 /nfs/dbraw/zinc/39/42/24/673394224.db2.gz KBJHWGSJHMLZJR-CQSZACIVSA-N 1 0 353.264 2.263 20 30 FEEDRO C=CCCSCCNC(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000596721260 673407311 /nfs/dbraw/zinc/40/73/11/673407311.db2.gz FPAPZHSFGWKTDS-KRWDZBQOSA-N 1 0 354.564 2.107 20 30 FEEDRO CCS(=O)(=O)C[C@@H](C)[NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000538218478 673427349 /nfs/dbraw/zinc/42/73/49/673427349.db2.gz ZKGFXUDUMIDICE-HIFRSBDPSA-N 1 0 353.463 2.079 20 30 FEEDRO C=CCCSCCNC(=O)C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000597277456 673462495 /nfs/dbraw/zinc/46/24/95/673462495.db2.gz AQFZSXMSQIWMML-QGZVFWFLSA-N 1 0 367.559 2.325 20 30 FEEDRO N#Cc1ccc(CSCC(=O)N2CCC[C@H](N3CCOCC3)C2)cc1 ZINC000597710059 673501488 /nfs/dbraw/zinc/50/14/88/673501488.db2.gz PTHQSASMRHQZOQ-SFHVURJKSA-N 1 0 359.495 2.115 20 30 FEEDRO C[C@@H](CCNC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)[NH+](C)C ZINC000597994062 673528117 /nfs/dbraw/zinc/52/81/17/673528117.db2.gz XQJSGRGCIKWQAX-GXTWGEPZSA-N 1 0 362.861 2.021 20 30 FEEDRO CCC[N@@H+]1CC[C@@H](NC(=O)COc2ccc(C#N)c(Br)c2)C1 ZINC000598343465 673561842 /nfs/dbraw/zinc/56/18/42/673561842.db2.gz VZLKDCKNDHEDAP-CYBMUJFWSA-N 1 0 366.259 2.300 20 30 FEEDRO CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH2+][C@@H](c2cccs2)C2CC2)CC1 ZINC000542510083 673587413 /nfs/dbraw/zinc/58/74/13/673587413.db2.gz ISCPASKAVFGEGS-VQIMIIECSA-N 1 0 360.527 2.481 20 30 FEEDRO COC[C@@H]([NH2+]CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)C(C)C ZINC000542524497 673588747 /nfs/dbraw/zinc/58/87/47/673588747.db2.gz AEZMOVNQCHUUQN-MRXNPFEDSA-N 1 0 356.388 2.434 20 30 FEEDRO CC(C)(C#N)C[C@H](O)C[NH2+][C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000598722972 673603341 /nfs/dbraw/zinc/60/33/41/673603341.db2.gz FELOYHHDQPIUOO-SWLSCSKDSA-N 1 0 353.825 2.475 20 30 FEEDRO CC(C)(C#N)C[C@H](O)C[NH2+]C[C@@H](CO)Cc1ccccc1Br ZINC000598728906 673604039 /nfs/dbraw/zinc/60/40/39/673604039.db2.gz FZIGABJRYXPKQD-ZFWWWQNUSA-N 1 0 369.303 2.490 20 30 FEEDRO N#Cc1ccc(CN2CCC([NH2+]C[C@H]3CCCCS3(=O)=O)CC2)cc1 ZINC000543412197 673645487 /nfs/dbraw/zinc/64/54/87/673645487.db2.gz XFPVQXZRAJJFBF-LJQANCHMSA-N 1 0 361.511 2.080 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)COc2ccc(Br)cc2)CC1 ZINC000740735354 673651824 /nfs/dbraw/zinc/65/18/24/673651824.db2.gz BIGVWEMZCIWSMB-UHFFFAOYSA-N 1 0 365.271 2.432 20 30 FEEDRO CN1C(=O)C[C@H]([NH2+]C[C@H](O)CC2(C#N)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000599384533 673667550 /nfs/dbraw/zinc/66/75/50/673667550.db2.gz OVKJILRZDBREOI-PVUWLOKVSA-N 1 0 365.836 2.395 20 30 FEEDRO N#CCCOCC[NH2+][C@@]1(CO)CCc2cc(Br)ccc2C1 ZINC000599572455 673692931 /nfs/dbraw/zinc/69/29/31/673692931.db2.gz BQKHSGVGDGVVAX-INIZCTEOSA-N 1 0 353.260 2.189 20 30 FEEDRO N#CC1(CS(=O)(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CCCC1 ZINC000545365297 673763295 /nfs/dbraw/zinc/76/32/95/673763295.db2.gz RXNCNVWQNVMLLO-DOTOQJQBSA-N 1 0 351.516 2.349 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N(C[C@@H](O)CC(C)(C)C)C1CC[NH+](C)CC1 ZINC000614443814 676175036 /nfs/dbraw/zinc/17/50/36/676175036.db2.gz QCSZPYWIMIPMIR-KSZLIROESA-N 1 0 352.519 2.297 20 30 FEEDRO N#Cc1ccccc1OC[C@H](O)C[NH2+]CCc1nc2c(s1)CCCC2 ZINC000600730444 673795013 /nfs/dbraw/zinc/79/50/13/673795013.db2.gz GZSFAIKNMHLUHX-OAHLLOKOSA-N 1 0 357.479 2.466 20 30 FEEDRO N#CC1(C[C@@H](O)C[NH2+][C@@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)CC1 ZINC000600733304 673795223 /nfs/dbraw/zinc/79/52/23/673795223.db2.gz YNCYKXWHQQHYSD-DGCLKSJQSA-N 1 0 351.809 2.229 20 30 FEEDRO Cn1c(C[NH2+]C[C@@H](O)CC2(C#N)CCOCC2)nc2cc(Cl)ccc21 ZINC000600733365 673795248 /nfs/dbraw/zinc/79/52/48/673795248.db2.gz IYISOHNNLLVZMU-AWEZNQCLSA-N 1 0 362.861 2.388 20 30 FEEDRO N#CC1(C[C@@H](O)C[NH2+]C[C@@H](CO)Cc2ccc(Br)cc2)CC1 ZINC000600744151 673795883 /nfs/dbraw/zinc/79/58/83/673795883.db2.gz ARBFELTXQZCRRF-GOEBONIOSA-N 1 0 367.287 2.244 20 30 FEEDRO N#CC1(C[C@@H](O)C[NH2+]C[C@@H](CO)Cc2ccccc2Br)CC1 ZINC000600750390 673796738 /nfs/dbraw/zinc/79/67/38/673796738.db2.gz VQEAULIVJIYGRI-DZGCQCFKSA-N 1 0 367.287 2.244 20 30 FEEDRO Cc1cccc(S(=O)(=O)N2CCCN(c3cc[nH+]cc3)CC2)c1C#N ZINC000601524192 673877410 /nfs/dbraw/zinc/87/74/10/673877410.db2.gz ZCEMGJCMRDTAEE-UHFFFAOYSA-N 1 0 356.451 2.163 20 30 FEEDRO C[C@@H](CNS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1)[NH+]1CCCC1 ZINC000548041552 673917608 /nfs/dbraw/zinc/91/76/08/673917608.db2.gz XANNRBILCMCCCX-NSHDSACASA-N 1 0 361.389 2.340 20 30 FEEDRO C[NH2+][C@@H](C)c1cn(CC(=O)Nc2sc3c(c2C#N)CCCCC3)nn1 ZINC000603171476 673918743 /nfs/dbraw/zinc/91/87/43/673918743.db2.gz ATLSHANRPXROKU-NSHDSACASA-N 1 0 358.471 2.399 20 30 FEEDRO CC[NH2+]Cc1ccn(Cc2cn(Cc3ccc(C#N)cc3Cl)nn2)n1 ZINC000603227968 673918974 /nfs/dbraw/zinc/91/89/74/673918974.db2.gz XHDCHFPGIOVQTG-UHFFFAOYSA-N 1 0 355.833 2.206 20 30 FEEDRO N#Cc1ccc(Cn2cc([C@@H]([NH3+])[C@H]3CCCO3)nn2)c(C(F)(F)F)c1 ZINC000603253003 673920165 /nfs/dbraw/zinc/92/01/65/673920165.db2.gz YODNWXCIHIIKRM-HUUCEWRRSA-N 1 0 351.332 2.396 20 30 FEEDRO C[C@@H]1CN(C(=O)c2ccc(C#N)c(Cl)c2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000548633583 673982217 /nfs/dbraw/zinc/98/22/17/673982217.db2.gz WBAKOTVNBLVYOI-KDOFPFPSSA-N 1 0 360.889 2.310 20 30 FEEDRO CCNc1ccc(S(=O)(=O)C(F)F)cc1NC(=O)[C@H]([NH3+])CCCC#N ZINC000818115809 675197463 /nfs/dbraw/zinc/19/74/63/675197463.db2.gz CRQKEGGZJSCFLL-LLVKDONJSA-N 1 0 374.413 2.074 20 30 FEEDRO COc1cccc([C@@H]2C[C@H]2[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)c1 ZINC000566674066 675233776 /nfs/dbraw/zinc/23/37/76/675233776.db2.gz PWAZMKYMBIXCKF-RBUKOAKNSA-N 1 0 356.447 2.486 20 30 FEEDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNS(=O)(=O)c2cncc(C#N)c2)C1 ZINC000566943511 675254467 /nfs/dbraw/zinc/25/44/67/675254467.db2.gz VCSVLBAONBOHHZ-CQSZACIVSA-N 1 0 350.488 2.132 20 30 FEEDRO N#Cc1ccc(C[NH2+]C[C@@H](O)COc2cccc(Br)c2)nc1 ZINC000819311303 675280051 /nfs/dbraw/zinc/28/00/51/675280051.db2.gz BYADNADJDBCSLS-OAHLLOKOSA-N 1 0 362.227 2.245 20 30 FEEDRO N#CCNC(=O)C[NH2+][C@@H](c1cccc(C(F)(F)F)c1)C1CCOCC1 ZINC000567297180 675281991 /nfs/dbraw/zinc/28/19/91/675281991.db2.gz OYZJNABDFZNMEH-MRXNPFEDSA-N 1 0 355.360 2.402 20 30 FEEDRO C[C@H]1CC[N@H+](CCNC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)C1 ZINC000819342188 675283126 /nfs/dbraw/zinc/28/31/26/675283126.db2.gz PCDNUTDCGTYPNG-LSDHHAIUSA-N 1 0 352.479 2.032 20 30 FEEDRO C[N@@H+]1CCN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)C(C)(C)C1 ZINC000819452853 675291966 /nfs/dbraw/zinc/29/19/66/675291966.db2.gz VYLZIGYQFDXGFA-AWEZNQCLSA-N 1 0 352.479 2.126 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)NC[C@@H](CC(C)C)C(=O)OC(C)(C)C)CC1 ZINC000819622432 675305227 /nfs/dbraw/zinc/30/52/27/675305227.db2.gz YFPIUKKPSGLHLT-QGZVFWFLSA-N 1 0 350.503 2.452 20 30 FEEDRO C[C@@H](C[NH+]1CCC(C)CC1)NS(=O)(=O)Cc1ccc(F)cc1C#N ZINC000567627989 675307961 /nfs/dbraw/zinc/30/79/61/675307961.db2.gz GSRJSIYQEUMLTJ-AWEZNQCLSA-N 1 0 353.463 2.237 20 30 FEEDRO C#C[C@H](NC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc(Cl)cc1 ZINC000820564518 675370758 /nfs/dbraw/zinc/37/07/58/675370758.db2.gz CIXIXSGHMFILTO-QAPCUYQASA-N 1 0 361.873 2.378 20 30 FEEDRO O=C(C#Cc1cccs1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000827919542 675786998 /nfs/dbraw/zinc/78/69/98/675786998.db2.gz KTDDUQHJSLHZKB-IEBWSBKVSA-N 1 0 354.475 2.099 20 30 FEEDRO N#Cc1ncccc1S(=O)(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000617465443 676287092 /nfs/dbraw/zinc/28/70/92/676287092.db2.gz WPQVVHYHZYJSEI-UHFFFAOYSA-N 1 0 362.499 2.230 20 30 FEEDRO N#Cc1ccc(CNC(=O)NCCCC[NH+]2CCOCC2)cc1Cl ZINC000619756571 676393534 /nfs/dbraw/zinc/39/35/34/676393534.db2.gz KJWXJEMXLUENKZ-UHFFFAOYSA-N 1 0 350.850 2.123 20 30 FEEDRO C[C@H]1CN(C(=O)NCc2ccc(C#N)c(Cl)c2)CC[N@@H+]1CC(C)(C)O ZINC000619827035 676396579 /nfs/dbraw/zinc/39/65/79/676396579.db2.gz RQIOYHWCCOOPCE-ZDUSSCGKSA-N 1 0 364.877 2.198 20 30 FEEDRO COC1CC[NH+](CCNC(=O)NCc2ccc(C#N)c(Cl)c2)CC1 ZINC000619827649 676396639 /nfs/dbraw/zinc/39/66/39/676396639.db2.gz YXBDEMYNRMEZMI-UHFFFAOYSA-N 1 0 350.850 2.122 20 30 FEEDRO C=CCOc1ccc(Br)cc1NC(=O)N(C)CCOCC[NH3+] ZINC000625893147 676677602 /nfs/dbraw/zinc/67/76/02/676677602.db2.gz LIRWIUGWNRALTJ-UHFFFAOYSA-N 1 0 372.263 2.453 20 30 FEEDRO C=CCCCCCN(C)C(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629796925 676868843 /nfs/dbraw/zinc/86/88/43/676868843.db2.gz LTLRHGDBWPJHMQ-KBPBESRZSA-N 1 0 363.424 2.177 20 30 FEEDRO C=CCCCCCN(C)C(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629796927 676868867 /nfs/dbraw/zinc/86/88/67/676868867.db2.gz LTLRHGDBWPJHMQ-KGLIPLIRSA-N 1 0 363.424 2.177 20 30 FEEDRO C=CCNS(=O)(=O)c1ccccc1N[C@@H]1CCN(c2ccccn2)C1 ZINC000641460603 677206832 /nfs/dbraw/zinc/20/68/32/677206832.db2.gz VAQKXCUXBSUVRR-OAHLLOKOSA-N 1 0 358.467 2.237 20 30 FEEDRO C=CCC[C@H](NC(=O)C(=O)NC[C@H](C)[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000642747257 677221802 /nfs/dbraw/zinc/22/18/02/677221802.db2.gz MQXMZYVFQXUBKU-FZMZJTMJSA-N 1 0 357.376 2.292 20 30 FEEDRO C=CC[C@@H]1CC[C@@H]([NH2+]Cc2cccc(S(=O)(=O)NCCOC)c2)C1 ZINC000651717465 677446821 /nfs/dbraw/zinc/44/68/21/677446821.db2.gz GMXWXBGHJTVGTQ-NVXWUHKLSA-N 1 0 352.500 2.446 20 30 FEEDRO C[C@@H]1CC(=NNC(=S)NC2CC[NH+](Cc3ccccc3)CC2)CN1C ZINC000761802068 680731887 /nfs/dbraw/zinc/73/18/87/680731887.db2.gz SUFOFGZAINIBMF-OAHLLOKOSA-N 1 0 359.543 2.195 20 30 FEEDRO C=CC[C@H]1CCCC[C@H]1NS(=O)(=O)c1c(C)nn(CC[NH+](C)C)c1C ZINC000657036665 677919966 /nfs/dbraw/zinc/91/99/66/677919966.db2.gz LJWRQQRYGCJESL-DLBZAZTESA-N 1 0 368.547 2.475 20 30 FEEDRO C=CCCn1cc(C[NH2+]C[C@@H](CO)Cc2cc(F)c(F)c(F)c2)nn1 ZINC000657450102 678001140 /nfs/dbraw/zinc/00/11/40/678001140.db2.gz IIIYDSRVIOMRMK-ZDUSSCGKSA-N 1 0 354.376 2.212 20 30 FEEDRO N#Cc1ccc([C@@H](O)C[NH2+]C[C@H](c2cccs2)N2CCOCC2)cc1 ZINC000763227195 680776541 /nfs/dbraw/zinc/77/65/41/680776541.db2.gz XDECVUAXMZSVAK-MSOLQXFVSA-N 1 0 357.479 2.316 20 30 FEEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccc(C)c(S(N)(=O)=O)c1 ZINC000661117895 678437150 /nfs/dbraw/zinc/43/71/50/678437150.db2.gz UZYZASITLMGDSI-GOEBONIOSA-N 1 0 365.499 2.305 20 30 FEEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N(CC(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000661118413 678437252 /nfs/dbraw/zinc/43/72/52/678437252.db2.gz DQZDLYCRJXDXIF-KZNAEPCWSA-N 1 0 370.559 2.383 20 30 FEEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccc(C)c(S(N)(=O)=O)c1 ZINC000661117894 678437319 /nfs/dbraw/zinc/43/73/19/678437319.db2.gz UZYZASITLMGDSI-GDBMZVCRSA-N 1 0 365.499 2.305 20 30 FEEDRO C=CCN(CC(=O)Nc1cc(Cl)ccc1-n1cncn1)[C@@H](C)COC ZINC000661241686 678456959 /nfs/dbraw/zinc/45/69/59/678456959.db2.gz AJESYUOJEMGSNA-ZDUSSCGKSA-N 1 0 363.849 2.382 20 30 FEEDRO C=CCC1([NH2+]CC(=O)NCc2ccc(S(C)(=O)=O)cc2)CCCC1 ZINC000661850720 678542166 /nfs/dbraw/zinc/54/21/66/678542166.db2.gz NJGCHJDDANFICA-UHFFFAOYSA-N 1 0 350.484 2.185 20 30 FEEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000662086173 678575577 /nfs/dbraw/zinc/57/55/77/678575577.db2.gz PVLSDTFEPAYMMX-IYBDPMFKSA-N 1 0 363.483 2.058 20 30 FEEDRO C=CC[C@]1(C(=O)Nc2nc(CN3C[C@@H](C)O[C@@H](C)C3)cs2)CCC[NH2+]1 ZINC000662671348 678649272 /nfs/dbraw/zinc/64/92/72/678649272.db2.gz NPNQPAVGXNJPCW-QWQRMKEZSA-N 1 0 364.515 2.389 20 30 FEEDRO C=C(C[NH+](C)C)C(=O)N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000764445940 680809255 /nfs/dbraw/zinc/80/92/55/680809255.db2.gz WDINSBJKZDPJLQ-HNNXBMFYSA-N 1 0 353.260 2.467 20 30 FEEDRO C=C(C[NH+](C)C)C(=O)N[C@@H]1CCN(c2ccccc2Br)C1 ZINC000764506929 680812197 /nfs/dbraw/zinc/81/21/97/680812197.db2.gz HJAIFGZFKFGEON-CYBMUJFWSA-N 1 0 352.276 2.262 20 30 FEEDRO O=C(NCC#Cc1cccc(C(F)(F)F)c1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000668996954 679213675 /nfs/dbraw/zinc/21/36/75/679213675.db2.gz ISVKIYIXXFIZKE-GDBMZVCRSA-N 1 0 351.372 2.450 20 30 FEEDRO N#CCCn1cc(C[NH2+]CCS(=O)(=O)C2CC2)c(-c2ccccc2)n1 ZINC000840965007 680857633 /nfs/dbraw/zinc/85/76/33/680857633.db2.gz VVBJBVZQCYAYLW-UHFFFAOYSA-N 1 0 358.467 2.131 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCc2ccns2)CC1(C)C ZINC000974589378 679960602 /nfs/dbraw/zinc/96/06/02/679960602.db2.gz UTAQHXOGPVLEFD-IXDOHACOSA-N 1 0 363.527 2.493 20 30 FEEDRO C#CCC[NH+]1CCC(NS(=O)(=O)c2ccccc2Br)CC1 ZINC000748672238 679986333 /nfs/dbraw/zinc/98/63/33/679986333.db2.gz RKOJWMSMFNYQKL-UHFFFAOYSA-N 1 0 371.300 2.215 20 30 FEEDRO C=C(C)[C@@H](CO)[NH+]1CCC([C@@H]2OCC[C@H]2NC(=O)OC(C)(C)C)CC1 ZINC000831704890 680028884 /nfs/dbraw/zinc/02/88/84/680028884.db2.gz PIHZMMGIZXVTGA-ZACQAIPSSA-N 1 0 354.491 2.318 20 30 FEEDRO CCO[C@H](CNC(=O)CSc1nc(C)c(C)c(C)c1C#N)C[NH+](C)C ZINC000831770651 680040500 /nfs/dbraw/zinc/04/05/00/680040500.db2.gz BKBNIHBDGCTNIO-OAHLLOKOSA-N 1 0 364.515 2.054 20 30 FEEDRO C=C(Br)CN1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC000981197718 680220966 /nfs/dbraw/zinc/22/09/66/680220966.db2.gz LQRLFFHIOBPOFU-LSDHHAIUSA-N 1 0 358.324 2.160 20 30 FEEDRO Cc1cc(C(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)nn1-c1ccc(Cl)c(Cl)c1 ZINC000834484479 680233442 /nfs/dbraw/zinc/23/34/42/680233442.db2.gz JLDDXCRSNGORPO-MEBBXXQBSA-N 1 0 364.236 2.329 20 30 FEEDRO Cc1cc(C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)c2ccc(Br)cc2n1 ZINC000834488538 680233698 /nfs/dbraw/zinc/23/36/98/680233698.db2.gz DEWDILFQXROBNB-ZUZCIYMTSA-N 1 0 359.227 2.147 20 30 FEEDRO CC(C)c1c(C(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)cnn1-c1ccccc1Cl ZINC000834500961 680235767 /nfs/dbraw/zinc/23/57/67/680235767.db2.gz YNSIICSILIULJI-IUODEOHRSA-N 1 0 357.845 2.490 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](CC2CCOCC2)C1 ZINC001023375030 680257300 /nfs/dbraw/zinc/25/73/00/680257300.db2.gz FQZKECOQRXDGFC-QRVBRYPASA-N 1 0 350.503 2.222 20 30 FEEDRO C=C(C)CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C1 ZINC001023444171 680260868 /nfs/dbraw/zinc/26/08/68/680260868.db2.gz DZLVYAPNKBHLEP-ZNMIVQPWSA-N 1 0 364.408 2.127 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]CC2CCOCC2)C1 ZINC001023988505 680276593 /nfs/dbraw/zinc/27/65/93/680276593.db2.gz CRLLZOGLFANLTD-QRVBRYPASA-N 1 0 350.503 2.222 20 30 FEEDRO C=C(Cl)C(C)(C)C(=O)N1CC[C@@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC000982803512 680288144 /nfs/dbraw/zinc/28/81/44/680288144.db2.gz IEYDRYDQTPLYEL-HRCADAONSA-N 1 0 369.937 2.460 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC2(CO[C@@H](C[NH2+]C(C)C)C2)CC1 ZINC000982905098 680292833 /nfs/dbraw/zinc/29/28/33/680292833.db2.gz MJUBYTOAHDVZKO-KURKYZTESA-N 1 0 350.503 2.363 20 30 FEEDRO C[C@H]1CC(N=Nc2ncnc3c2c(Br)nn3C)C[N@@H+]1C1CC1 ZINC000753959188 680326878 /nfs/dbraw/zinc/32/68/78/680326878.db2.gz FLPGFPKWEACOIP-QMMMGPOBSA-N 1 0 364.251 2.150 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([NH2+]Cc2cc(OC)ns2)CC1 ZINC000996600341 680336484 /nfs/dbraw/zinc/33/64/84/680336484.db2.gz ILTRHNWDUVTRIB-CVEARBPZSA-N 1 0 365.499 2.214 20 30 FEEDRO C=C(Cl)C[NH2+]C1CCN(C(=O)[C@@H]2OCCO[C@@H]2c2ccccc2)CC1 ZINC000996685868 680338666 /nfs/dbraw/zinc/33/86/66/680338666.db2.gz BFWLXQFJVSNWNL-QZTJIDSGSA-N 1 0 364.873 2.476 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)NC1CCC([NH2+]Cc2nncs2)CC1 ZINC001026496240 680344762 /nfs/dbraw/zinc/34/47/62/680344762.db2.gz SAUQRKNRHMHASJ-CVSAEHQPSA-N 1 0 350.488 2.036 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC([NH2+]Cc2nn(C)cc2Cl)CC1 ZINC000997085382 680346695 /nfs/dbraw/zinc/34/66/95/680346695.db2.gz RUQURGOPEMNUNY-YOEHRIQHSA-N 1 0 366.893 2.135 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2ccc(F)cc2F)C1 ZINC001027074878 680354378 /nfs/dbraw/zinc/35/43/78/680354378.db2.gz IAWPUIBWBYVSAV-XCRHUMRWSA-N 1 0 350.409 2.494 20 30 FEEDRO C=C(Cl)C[N@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CC[C@@H](C(N)=O)C2)CC1 ZINC000998121283 680376096 /nfs/dbraw/zinc/37/60/96/680376096.db2.gz OVVKYUXMCYSKIB-PMPSAXMXSA-N 1 0 355.910 2.344 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC(C[NH2+][C@@H](C)c2csnn2)CC1 ZINC000998148984 680377624 /nfs/dbraw/zinc/37/76/24/680377624.db2.gz SFXOLERDAFYDRR-QRTARXTBSA-N 1 0 364.515 2.409 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2nnc(CCC)s2)C1 ZINC000984826277 680384538 /nfs/dbraw/zinc/38/45/38/680384538.db2.gz OSZSZXVNVNVNMR-TUVASFSCSA-N 1 0 364.515 2.066 20 30 FEEDRO CCCCCCCCNC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000755076918 680397740 /nfs/dbraw/zinc/39/77/40/680397740.db2.gz CWRNBHKKCMMACT-KRWDZBQOSA-N 1 0 352.523 2.295 20 30 FEEDRO C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCO[C@H]2c2nccn2C)C1 ZINC000999408612 680402236 /nfs/dbraw/zinc/40/22/36/680402236.db2.gz TVPFEDOCDPYBCK-BZUAXINKSA-N 1 0 366.893 2.221 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)NCC1C[NH+](CCOc2cccc(Cl)c2)C1 ZINC001031989023 680410436 /nfs/dbraw/zinc/41/04/36/680410436.db2.gz UZXSQEQHLYNYHH-MSOLQXFVSA-N 1 0 364.873 2.358 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]CC2CCOCC2)C1 ZINC001000414897 680430571 /nfs/dbraw/zinc/43/05/71/680430571.db2.gz JJVAOPZBOIUPLR-FHWLQOOXSA-N 1 0 350.503 2.365 20 30 FEEDRO C=C(Br)CN1CCCC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001034213982 680431151 /nfs/dbraw/zinc/43/11/51/680431151.db2.gz FQVHRKODOJMNOK-RBSFLKMASA-N 1 0 358.324 2.206 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]CCC2CCOCC2)C1 ZINC001000435886 680431891 /nfs/dbraw/zinc/43/18/91/680431891.db2.gz RAZRWIXUDRRSCS-FHWLQOOXSA-N 1 0 350.503 2.365 20 30 FEEDRO C=C(Cl)C(C)(C)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+]1CC[C@@H](C)C1)C2 ZINC001000487321 680433707 /nfs/dbraw/zinc/43/37/07/680433707.db2.gz YIOYASBOCLZRMG-OJLVUWQFSA-N 1 0 367.921 2.355 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)NCc1cc(F)ccc1Br ZINC000836228997 680438336 /nfs/dbraw/zinc/43/83/36/680438336.db2.gz AIZQFXIQFXYVQL-UHFFFAOYSA-N 1 0 356.239 2.343 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2csnc2OC)CC1 ZINC001034738787 680439309 /nfs/dbraw/zinc/43/93/09/680439309.db2.gz IFWWECGGHRNPRY-FPCVCCKLSA-N 1 0 365.499 2.260 20 30 FEEDRO C[C@@H]1C[N@@H+](C2CC2)CC1N=Nc1ncnc2c1c(Br)nn2C ZINC000755890692 680443119 /nfs/dbraw/zinc/44/31/19/680443119.db2.gz YBBBMZFZGGCVNG-MRVPVSSYSA-N 1 0 364.251 2.008 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)NCC1CC[NH+](CCOC2CCC2)CC1 ZINC001001412976 680460735 /nfs/dbraw/zinc/46/07/35/680460735.db2.gz JBTBJJJFJLVIHE-MOPGFXCFSA-N 1 0 350.503 2.365 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([N@@H+](C)Cc2cc(OC)ns2)CC1 ZINC000985658993 680467294 /nfs/dbraw/zinc/46/72/94/680467294.db2.gz URKCUBFOGFWKBV-CVEARBPZSA-N 1 0 365.499 2.166 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)NC[C@@H](O)c1c(Cl)cccc1Cl ZINC000836488716 680476306 /nfs/dbraw/zinc/47/63/06/680476306.db2.gz MCEPVBAAJMLNLF-CQSZACIVSA-N 1 0 358.269 2.281 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)N1Cc2ccc(Br)cc2C1 ZINC000836489988 680476576 /nfs/dbraw/zinc/47/65/76/680476576.db2.gz ARFKSKXRQOBGLP-UHFFFAOYSA-N 1 0 350.260 2.429 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)NC1CC[NH+](C[C@H](OC)C2CCC2)CC1 ZINC001002847158 680509944 /nfs/dbraw/zinc/50/99/44/680509944.db2.gz QLWDVXRBGUPUKP-QYZOEREBSA-N 1 0 350.503 2.363 20 30 FEEDRO CCS(=O)(=O)N1CCC(C[NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)CC1 ZINC000758056657 680552916 /nfs/dbraw/zinc/55/29/16/680552916.db2.gz OYCXONKTWKISSY-HNNXBMFYSA-N 1 0 365.499 2.129 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC([C@@H]2CCC[N@@H+]2CCO)CC1 ZINC001004579631 680560923 /nfs/dbraw/zinc/56/09/23/680560923.db2.gz OZAHWGURZKIJHW-FHWLQOOXSA-N 1 0 350.503 2.053 20 30 FEEDRO C=C(Cl)C[NH+]1CCC2(CO[C@@H](CNC(=O)[C@H]3OCC[C@H]3C)C2)CC1 ZINC001045679023 680638163 /nfs/dbraw/zinc/63/81/63/680638163.db2.gz FYOPSIFVLFKBEU-BMFZPTHFSA-N 1 0 356.894 2.151 20 30 FEEDRO CC[NH+](CC)CCOC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 ZINC000837839170 680653790 /nfs/dbraw/zinc/65/37/90/680653790.db2.gz JPCLCRQDLBMQQU-AWEZNQCLSA-N 1 0 363.845 2.450 20 30 FEEDRO CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@H](CC[NH3+])C(F)(F)F)c1 ZINC000841334398 680873537 /nfs/dbraw/zinc/87/35/37/680873537.db2.gz CIWDXFQCGBTMBF-TZMCWYRMSA-N 1 0 358.364 2.446 20 30 FEEDRO C=C(Br)CN1C(=O)N[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1=O ZINC000767154544 680900847 /nfs/dbraw/zinc/90/08/47/680900847.db2.gz SADHTPOOQWUCDD-MRXNPFEDSA-N 1 0 364.243 2.092 20 30 FEEDRO CS[C@H]1CN(C(=O)Nc2cc(C)c(N(C)C)cc2C#N)C[C@H]1[NH+](C)C ZINC000841713510 680908894 /nfs/dbraw/zinc/90/88/94/680908894.db2.gz OZFKEPKVTBICIG-SJORKVTESA-N 1 0 361.515 2.442 20 30 FEEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCCC1OCCO1 ZINC000767385375 680909847 /nfs/dbraw/zinc/90/98/47/680909847.db2.gz NAPPGDBUMXDVSE-UHFFFAOYSA-N 1 0 352.504 2.348 20 30 FEEDRO C=CCS(=O)(=O)CC[NH2+][C@@H](C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000768250902 680941978 /nfs/dbraw/zinc/94/19/78/680941978.db2.gz DEYAXYISWRTPOL-AWEZNQCLSA-N 1 0 360.520 2.212 20 30 FEEDRO C#CC[N@H+]1CCC[C@@H]1COC(=O)C[C@@H](C)n1cc(Br)cn1 ZINC000842711074 680961183 /nfs/dbraw/zinc/96/11/83/680961183.db2.gz WBYOUXVLMQUSLQ-TZMCWYRMSA-N 1 0 354.248 2.238 20 30 FEEDRO C[C@@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)[C@H](O)c1cccc(F)c1 ZINC000843105018 680987980 /nfs/dbraw/zinc/98/79/80/680987980.db2.gz RUGRJEMRCUZAIQ-ACJLOTCBSA-N 1 0 362.426 2.183 20 30 FEEDRO C[C@@H](C[C@H](O)c1cccs1)[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000843108119 680988076 /nfs/dbraw/zinc/98/80/76/680988076.db2.gz RROUSJWMVNHXHK-BBRMVZONSA-N 1 0 364.492 2.495 20 30 FEEDRO CSCCNC(=S)NN=Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000769604368 680988729 /nfs/dbraw/zinc/98/87/29/680988729.db2.gz IUXCDMCHXUAOBG-UHFFFAOYSA-N 1 0 366.556 2.322 20 30 FEEDRO CC[NH+](CC)CC#C[C@H](C)OC(=O)CCn1cc(Br)cn1 ZINC000770804432 681027832 /nfs/dbraw/zinc/02/78/32/681027832.db2.gz PCHWTDCMUWPIQR-ZDUSSCGKSA-N 1 0 356.264 2.313 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[C@H](C[NH2+]Cc2nncs2)CC1 ZINC001050329264 681045448 /nfs/dbraw/zinc/04/54/48/681045448.db2.gz QETDYXPKAZVQPN-FPCVCCKLSA-N 1 0 364.515 2.284 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC2(C1)CC[NH+](C[C@H](CC)OC)CC2 ZINC001050522952 681049472 /nfs/dbraw/zinc/04/94/72/681049472.db2.gz KBMSKVMFQGABFS-KSZLIROESA-N 1 0 350.503 2.317 20 30 FEEDRO C[C@@H]1[C@@H](NC(=O)C[N@H+]2CCC[C@@H]2C)CCN1c1nc(C#N)c(Cl)s1 ZINC001051026828 681060848 /nfs/dbraw/zinc/06/08/48/681060848.db2.gz HSJSGEKIETVDDV-TUAOUCFPSA-N 1 0 367.906 2.236 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@H](C[NH2+]Cc2sccc2Cl)C1 ZINC001051834201 681069728 /nfs/dbraw/zinc/06/97/28/681069728.db2.gz JIORNEBIXDPWTP-NFAWXSAZSA-N 1 0 370.902 2.310 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)OC[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000772112996 681086397 /nfs/dbraw/zinc/08/63/97/681086397.db2.gz HRPVPGNGYNDGRX-INIZCTEOSA-N 1 0 350.459 2.274 20 30 FEEDRO C[C@H]1CCC[N@@H+]1CCNC(=O)Cc1ccc(Br)cc1C#N ZINC000846639608 681270789 /nfs/dbraw/zinc/27/07/89/681270789.db2.gz RPZMGRYDNNQNCA-LBPRGKRZSA-N 1 0 350.260 2.464 20 30 FEEDRO C#C[C@H]1CCC[N@@H+](CCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)C1 ZINC000847027956 681322679 /nfs/dbraw/zinc/32/26/79/681322679.db2.gz DZYOVCKDJDZZHJ-ZDUSSCGKSA-N 1 0 359.495 2.400 20 30 FEEDRO N#CC[C@@H](NC(=O)NCC1([NH+]2CCOCC2)CCCCC1)C(F)(F)F ZINC000932928811 681330083 /nfs/dbraw/zinc/33/00/83/681330083.db2.gz SHGCZRQYCDVXLL-CYBMUJFWSA-N 1 0 362.396 2.165 20 30 FEEDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)C2(C#N)CCSCC2)[C@@H](C)C1 ZINC000932945633 681333035 /nfs/dbraw/zinc/33/30/35/681333035.db2.gz DMPNNPCNJYSBKF-HOTGVXAUSA-N 1 0 353.532 2.277 20 30 FEEDRO CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@](C)(CO)Cc1ccc(Cl)cc1 ZINC000933449879 681415281 /nfs/dbraw/zinc/41/52/81/681415281.db2.gz RIKFJXBFQHHAOY-ZWKOTPCHSA-N 1 0 351.878 2.278 20 30 FEEDRO CC[N@H+](CCC(=O)NC)CC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000933863533 681475935 /nfs/dbraw/zinc/47/59/35/681475935.db2.gz MDGFGGYWAAREIL-AWEZNQCLSA-N 1 0 362.499 2.335 20 30 FEEDRO CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000848939982 681645421 /nfs/dbraw/zinc/64/54/21/681645421.db2.gz FIIBRUGZWQIZHJ-HUUCEWRRSA-N 1 0 352.479 2.222 20 30 FEEDRO Cc1cscc1CNC1=[NH+]C[C@H]2CN(C(=O)OC(C)(C)C)CCN12 ZINC000849109311 681654483 /nfs/dbraw/zinc/65/44/83/681654483.db2.gz IFWVVNKUDQYNAO-AWEZNQCLSA-N 1 0 350.488 2.437 20 30 FEEDRO C[NH+]=C(NCc1ccco1)NC[C@@H]1C[C@H](F)CN1C(=O)OC(C)(C)C ZINC000849106911 681654505 /nfs/dbraw/zinc/65/45/05/681654505.db2.gz SLNGZQNPWIPMJA-STQMWFEESA-N 1 0 354.426 2.292 20 30 FEEDRO CCNC(NC[C@@H](CO)Cc1cccc(Br)c1C)=[NH+]CC ZINC000849109796 681654900 /nfs/dbraw/zinc/65/49/00/681654900.db2.gz HUNLBPWURINPKM-ZDUSSCGKSA-N 1 0 356.308 2.484 20 30 FEEDRO CCC(C)(C)OCCNC1=[NH+]C[C@@H]2CN(C(=O)OC(C)(C)C)CCN12 ZINC000849115988 681657990 /nfs/dbraw/zinc/65/79/90/681657990.db2.gz GNJYRLPYLOZIFM-CQSZACIVSA-N 1 0 354.495 2.072 20 30 FEEDRO CCCCCCCCNC(=[NH2+])NCC1(N2CCOCC2)CCOCC1 ZINC000849116560 681658173 /nfs/dbraw/zinc/65/81/73/681658173.db2.gz SOYPGNQUQHDPNW-UHFFFAOYSA-N 1 0 354.539 2.342 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)N[C@H]1CCN(c2ccc(Cl)cc2F)C1=O ZINC000913151938 685472981 /nfs/dbraw/zinc/47/29/81/685472981.db2.gz ISWVSRUNFRYCDB-AWEZNQCLSA-N 1 0 353.825 2.209 20 30 FEEDRO C[C@H](C#N)Oc1ccc(C[N@@H+]2CC[C@@H](C(=O)NCC(F)(F)F)C2)cc1 ZINC000779196368 681687752 /nfs/dbraw/zinc/68/77/52/681687752.db2.gz SXUPHLUFLQAXSJ-TZMCWYRMSA-N 1 0 355.360 2.478 20 30 FEEDRO O=S1(=O)NC(=NN=C2CC[NH+](CCC(F)(F)F)CC2)c2ccccc21 ZINC000779772029 681752324 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351.491 2.141 20 30 FEEDRO N#Cc1ccc(NC(=S)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)cc1Cl ZINC000853043424 682367255 /nfs/dbraw/zinc/36/72/55/682367255.db2.gz KEDHOHDSHAVOGM-HNNXBMFYSA-N 1 0 364.902 2.439 20 30 FEEDRO C=CCn1cc(C(=O)O[C@@H](C[NH+](C)C)c2cc(F)c(F)c(F)c2)nn1 ZINC000853215458 682392779 /nfs/dbraw/zinc/39/27/79/682392779.db2.gz SDTOVAKAUAXHFC-AWEZNQCLSA-N 1 0 354.332 2.341 20 30 FEEDRO C#CCN(CC(=O)N[C@H](C)C[NH+]1CCC(C)CC1)C(=O)OC(C)(C)C ZINC000855903458 682723701 /nfs/dbraw/zinc/72/37/01/682723701.db2.gz PTMYEDMBRJTCAP-MRXNPFEDSA-N 1 0 351.491 2.093 20 30 FEEDRO C=C(C[NH+](C)C)C(=O)N1Cc2sc(C(=O)OC)c(Br)c2C1 ZINC000856435430 682781454 /nfs/dbraw/zinc/78/14/54/682781454.db2.gz KVWVKZOCVWZTJK-UHFFFAOYSA-N 1 0 373.272 2.257 20 30 FEEDRO Cc1cc(C=NNC(=S)NC2CC[NH+](Cc3ccccc3)CC2)on1 ZINC000857205709 682864888 /nfs/dbraw/zinc/86/48/88/682864888.db2.gz JGTIMEBFYNILSV-UHFFFAOYSA-N 1 0 357.483 2.446 20 30 FEEDRO C#CC[C@H](COC)[NH2+]Cc1ccc(OCCN2CCOCC2)c(Cl)c1 ZINC000858334882 682958356 /nfs/dbraw/zinc/95/83/56/682958356.db2.gz HLNCDXBKOYGCAT-QGZVFWFLSA-N 1 0 366.889 2.179 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)N[C@@H]1CCN(c2ccc(Cl)cc2F)C1 ZINC000858493476 682972878 /nfs/dbraw/zinc/97/28/78/682972878.db2.gz VZJBUEVVTZZKAO-OAHLLOKOSA-N 1 0 366.868 2.312 20 30 FEEDRO CN(CCC[N@H+](C)Cc1ccco1)S(=O)(=O)c1cccc(F)c1C#N ZINC000796234124 683143999 /nfs/dbraw/zinc/14/39/99/683143999.db2.gz BSIFFQNBPVXECR-UHFFFAOYSA-N 1 0 365.430 2.433 20 30 FEEDRO CO[C@@H]1C[N@H+](C)[C@](C)(COC(=O)c2cnc(C(F)(F)F)c(C#N)c2)C1 ZINC000861354454 683397043 /nfs/dbraw/zinc/39/70/43/683397043.db2.gz VRDNVYBCULYDKB-WFASDCNBSA-N 1 0 357.332 2.238 20 30 FEEDRO C=CCN1CC[C@H]([NH2+][C@H]2CCCC[C@H]2CNC(=O)OC(C)(C)C)C1=O ZINC000799165000 683431729 /nfs/dbraw/zinc/43/17/29/683431729.db2.gz PTCOLSIEKCUGNC-JYJNAYRXSA-N 1 0 351.491 2.446 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)c2ccc(NC(=O)N(C)C)cc2Cl)CC1 ZINC000928654997 683482068 /nfs/dbraw/zinc/48/20/68/683482068.db2.gz PHNUHOCTVXYJKR-UHFFFAOYSA-N 1 0 362.861 2.261 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)COc2ccc(Br)cc2F)CC1 ZINC000928661093 683483557 /nfs/dbraw/zinc/48/35/57/683483557.db2.gz NDVJONSXIQDIHO-UHFFFAOYSA-N 1 0 369.234 2.181 20 30 FEEDRO CCN(C[C@@H](C)C#N)S(=O)(=O)NC[C@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000800007793 683519164 /nfs/dbraw/zinc/51/91/64/683519164.db2.gz PMQSPFYXYNPFBN-DLBZAZTESA-N 1 0 358.552 2.059 20 30 FEEDRO CC(C)NC(=O)c1cnn2c1C[C@@H](C[NH2+]Cc1csc(C#N)c1)CC2 ZINC000922043778 683645903 /nfs/dbraw/zinc/64/59/03/683645903.db2.gz RPIVVLCHIQKWAF-ZDUSSCGKSA-N 1 0 357.483 2.307 20 30 FEEDRO CC[NH+](CC)Cc1cc(C(C)=NN[C@@H]2CCCS(=O)(=O)C2)ccc1O ZINC000863130116 683679241 /nfs/dbraw/zinc/67/92/41/683679241.db2.gz QCYVHHDTINBAMB-QGZVFWFLSA-N 1 0 367.515 2.125 20 30 FEEDRO N#Cc1ccc(NC(=O)NCC[NH+]2CCC(O)CC2)cc1C(F)(F)F ZINC000930249798 683698938 /nfs/dbraw/zinc/69/89/38/683698938.db2.gz TWGRDSYHGLNIFU-UHFFFAOYSA-N 1 0 356.348 2.155 20 30 FEEDRO C=CC1(CC(=O)NC[C@@H]2CC[N@@H+](CC)C2)CN(C(=O)OC(C)(C)C)C1 ZINC000930369846 683720066 /nfs/dbraw/zinc/72/00/66/683720066.db2.gz YRSKAIOMVJYYRG-HNNXBMFYSA-N 1 0 351.491 2.258 20 30 FEEDRO N#Cc1ccccc1OC[C@H](O)C[NH2+]C[C@@H](O)c1c(F)cccc1Cl ZINC000863564050 683742810 /nfs/dbraw/zinc/74/28/10/683742810.db2.gz SPMPABODWSRYLC-CZUORRHYSA-N 1 0 364.804 2.414 20 30 FEEDRO C#CC[C@H](CCOC)[NH2+]C[C@]1(O)CCCN(C(=O)OC(C)(C)C)CC1 ZINC000863589925 683747335 /nfs/dbraw/zinc/74/73/35/683747335.db2.gz ZSQBROZTKLDVKL-APWZRJJASA-N 1 0 354.491 2.157 20 30 FEEDRO C=CC[C@@H]1CC[N@@H+](C[C@H]2CC3(CN(C(=O)OC(C)(C)C)C3)C(=O)O2)C1 ZINC000931162397 683843503 /nfs/dbraw/zinc/84/35/03/683843503.db2.gz ABOHYMREJWHWNW-HUUCEWRRSA-N 1 0 350.459 2.437 20 30 FEEDRO C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC1CC[NH+](C)CC1 ZINC000865094018 683935173 /nfs/dbraw/zinc/93/51/73/683935173.db2.gz CJPZSMZANVNHLF-AWEZNQCLSA-N 1 0 359.898 2.480 20 30 FEEDRO C=C(Cl)C[C@H]1NC(=O)N(CC2([NH+]3CCOCC3)CCCCC2)C1=O ZINC000865297113 683963041 /nfs/dbraw/zinc/96/30/41/683963041.db2.gz NGINQKPXLGKQPK-CQSZACIVSA-N 1 0 355.866 2.085 20 30 FEEDRO CN1CC[NH+](C2CCN(c3cc(C(F)(F)F)cnc3C#N)CC2)CC1 ZINC000866212782 684083387 /nfs/dbraw/zinc/08/33/87/684083387.db2.gz VRLRHBNTGXMBFI-UHFFFAOYSA-N 1 0 353.392 2.188 20 30 FEEDRO CS(=O)(=O)[C@H]1CCCC[C@H]1[NH2+]C1CCN(c2ccccc2C#N)CC1 ZINC000866449315 684105994 /nfs/dbraw/zinc/10/59/94/684105994.db2.gz UGNDAUJSGJEJFK-MJGOQNOKSA-N 1 0 361.511 2.472 20 30 FEEDRO N#Cc1cc(F)cc(S(=O)(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000866766335 684148245 /nfs/dbraw/zinc/14/82/45/684148245.db2.gz OUXCYHHAVXUUNG-CABCVRRESA-N 1 0 351.447 2.098 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2C3CCC2(C[NH3+])CC3)cc1C(F)(F)F ZINC000866793595 684154169 /nfs/dbraw/zinc/15/41/69/684154169.db2.gz AYTVMOGMYBVPOQ-UHFFFAOYSA-N 1 0 359.373 2.221 20 30 FEEDRO N#Cc1cc(S(=O)(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)ccc1C(F)(F)F ZINC000866822228 684161226 /nfs/dbraw/zinc/16/12/26/684161226.db2.gz ALVKVLPGWBFTTQ-KGLIPLIRSA-N 1 0 359.373 2.092 20 30 FEEDRO C[NH+](C)C1(CS(=O)(=O)Oc2cc(Br)ccc2C#N)CC1 ZINC000867376640 684262811 /nfs/dbraw/zinc/26/28/11/684262811.db2.gz OLYMFHPTAKCJEJ-UHFFFAOYSA-N 1 0 359.245 2.124 20 30 FEEDRO N#Cc1cccc(CS(=O)(=O)N2CCC([C@H]3CCC[NH2+]CC3)CC2)c1 ZINC000923703914 684335876 /nfs/dbraw/zinc/33/58/76/684335876.db2.gz HEXYOTYBOYJHLY-SFHVURJKSA-N 1 0 361.511 2.490 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2CC[C@]3(C2)CCCC[NH2+]3)cc1C(F)(F)F ZINC000923736544 684343131 /nfs/dbraw/zinc/34/31/31/684343131.db2.gz QZVMQIBSYDXSLF-HNNXBMFYSA-N 1 0 373.400 2.484 20 30 FEEDRO N#Cc1cccc(CS(=O)(=O)N[C@H]2C[C@@](C[NH3+])(c3ccccc3)C2)c1 ZINC000923739670 684344065 /nfs/dbraw/zinc/34/40/65/684344065.db2.gz DTFPAXVVLBVPKR-KDURUIRLSA-N 1 0 355.463 2.037 20 30 FEEDRO N#Cc1ccsc1NC(=O)CN1C[C@@H]2COC[C@]2(c2ccccc2)C1 ZINC000931905667 684367472 /nfs/dbraw/zinc/36/74/72/684367472.db2.gz NCDRGTIADNSLKE-APWZRJJASA-N 1 0 353.447 2.458 20 30 FEEDRO CC(C)(C)c1nnc(CNC(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)s1 ZINC000867967171 684433570 /nfs/dbraw/zinc/43/35/70/684433570.db2.gz XWJPWICZOGIKAE-HNNXBMFYSA-N 1 0 355.467 2.210 20 30 FEEDRO CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)C1 ZINC000868311502 684479208 /nfs/dbraw/zinc/47/92/08/684479208.db2.gz VNNZDRYRKMXUEC-SFHVURJKSA-N 1 0 362.861 2.374 20 30 FEEDRO N#Cc1cccc(C2(NC(=O)N[C@@H]3CCC[N@@H+]4CCSC[C@@H]34)CC2)c1 ZINC000925165856 684533778 /nfs/dbraw/zinc/53/37/78/684533778.db2.gz LHJPYGDLSDZYPY-SJORKVTESA-N 1 0 356.495 2.426 20 30 FEEDRO CC[C@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)[C@@H](O)c1ccccc1 ZINC000872252667 684932405 /nfs/dbraw/zinc/93/24/05/684932405.db2.gz VIHMNFVCQHYVRJ-OALUTQOASA-N 1 0 358.463 2.434 20 30 FEEDRO C[N@@H+]1CCC[C@H]2[C@H]1CCN2S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000872663888 685000350 /nfs/dbraw/zinc/00/03/50/685000350.db2.gz PLMNRBCDSCAULU-CABCVRRESA-N 1 0 373.400 2.434 20 30 FEEDRO C=CCc1cc(OCC)cc(C[N@@H+]2CC[C@@H]3CS(=O)(=O)C[C@@H]3C2)c1O ZINC000872793706 685016639 /nfs/dbraw/zinc/01/66/39/685016639.db2.gz CKRVTWOOHZPHSY-WBVHZDCISA-N 1 0 365.495 2.386 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)N1CC[C@]2(CCCN2C(=O)OC(C)(C)C)C1 ZINC000910581782 685080332 /nfs/dbraw/zinc/08/03/32/685080332.db2.gz RUVLZPHMAIXYKJ-LJQANCHMSA-N 1 0 351.491 2.496 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)NC[C@H](O)Cc2cccc(Cl)c2)CC1 ZINC000875249172 685765554 /nfs/dbraw/zinc/76/55/54/685765554.db2.gz XSXIYWINHVXMHK-QGZVFWFLSA-N 1 0 351.878 2.193 20 30 FEEDRO C[NH+](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(F)cc1C#N ZINC000875422591 686009062 /nfs/dbraw/zinc/00/90/62/686009062.db2.gz RBFGLVZIROWCGB-AWEZNQCLSA-N 1 0 350.394 2.091 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N(C)CC(=O)Nc1ccccc1Br ZINC000876555682 686218562 /nfs/dbraw/zinc/21/85/62/686218562.db2.gz CQVNKZUUHMQDDA-NSHDSACASA-N 1 0 374.666 2.316 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC(NC(=O)Nc2ccc(F)cc2)CC1 ZINC000876603923 686227180 /nfs/dbraw/zinc/22/71/80/686227180.db2.gz FDHYOFTXZXAOTQ-HNNXBMFYSA-N 1 0 368.840 2.408 20 30 FEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1ccc(CN2C(=O)CSC2=O)cc1 ZINC000876634164 686233850 /nfs/dbraw/zinc/23/38/50/686233850.db2.gz ZSUXRIZXPUEUGZ-GFCCVEGCSA-N 1 0 353.831 2.290 20 30 FEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)NCC(=O)Nc1cc(Br)ccc1C ZINC000876634003 686234152 /nfs/dbraw/zinc/23/41/52/686234152.db2.gz IZXXUWKSASAYHQ-LLVKDONJSA-N 1 0 374.666 2.282 20 30 FEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1ccc(F)c(-n2nnnc2C2CC2)c1 ZINC000876672945 686240183 /nfs/dbraw/zinc/24/01/83/686240183.db2.gz SNLWPZXYSOYFDO-GFCCVEGCSA-N 1 0 350.785 2.087 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000876680118 686242479 /nfs/dbraw/zinc/24/24/79/686242479.db2.gz AFDFQBOCYCRNRC-HNNXBMFYSA-N 1 0 353.806 2.435 20 30 FEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)NCCCc1nc(-c2ccc(F)cc2)no1 ZINC000876906111 686292310 /nfs/dbraw/zinc/29/23/10/686292310.db2.gz QRNXXEBHOHGBCF-CYBMUJFWSA-N 1 0 352.797 2.394 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC(c2nc(C(=O)OCC)cs2)CC1 ZINC000876910378 686293703 /nfs/dbraw/zinc/29/37/03/686293703.db2.gz YNMNBTYJIKMYQF-LBPRGKRZSA-N 1 0 371.890 2.496 20 30 FEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC[C@H]1c1nc(C(=O)OCC)cs1 ZINC000876909866 686293869 /nfs/dbraw/zinc/29/38/69/686293869.db2.gz KYIMYWJAALJWNN-PWSUYJOCSA-N 1 0 357.863 2.453 20 30 FEEDRO COC[C@@H](NC(=O)C#CC1CC[NH2+]CC1)c1cccc(Br)c1 ZINC000877262968 686345856 /nfs/dbraw/zinc/34/58/56/686345856.db2.gz OYGIQCBINYLGEA-MRXNPFEDSA-N 1 0 365.271 2.256 20 30 FEEDRO C[C@@H]1C[N@@H+](C[C@@H](O)c2ccc(Br)cc2)C[C@H](C)N1CC#N ZINC000878771349 686655580 /nfs/dbraw/zinc/65/55/80/686655580.db2.gz JNMDPKOAVPWZMV-DVOMOZLQSA-N 1 0 352.276 2.401 20 30 FEEDRO COCCN(CC1CC[NH+](C)CC1)C(=O)Nc1snc(C)c1C#N ZINC000879527608 686847306 /nfs/dbraw/zinc/84/73/06/686847306.db2.gz UFLJWGTVXMFRLK-UHFFFAOYSA-N 1 0 351.476 2.145 20 30 FEEDRO C#CCC1(O)CC[NH+](CC(=O)N(C)[C@@H](C)c2ccc(F)c(F)c2)CC1 ZINC000880480629 687052544 /nfs/dbraw/zinc/05/25/44/687052544.db2.gz ZFZVAHBWGKKYFZ-AWEZNQCLSA-N 1 0 350.409 2.334 20 30 FEEDRO C[N@@H+]1CCCN(CCCNc2ncc(C#N)cc2Br)CC1 ZINC000881869655 687240417 /nfs/dbraw/zinc/24/04/17/687240417.db2.gz PKCFRVASNXFDLE-UHFFFAOYSA-N 1 0 352.280 2.155 20 30 FEEDRO C=CCCc1ccc(S(=O)(=O)N(C)CCCN2CC[NH+](C)CC2)cc1 ZINC000881907144 687256453 /nfs/dbraw/zinc/25/64/53/687256453.db2.gz CVIWTUCYHCGRSK-UHFFFAOYSA-N 1 0 365.543 2.063 20 30 FEEDRO C=CCC[C@@H]([NH2+]CCNS(=O)(=O)Cc1ccccc1)[C@@H]1CCCO1 ZINC000883175443 687581981 /nfs/dbraw/zinc/58/19/81/687581981.db2.gz HKJDTCCKSDTKMB-MSOLQXFVSA-N 1 0 352.500 2.209 20 30 FEEDRO C=CCC[C@H]([NH2+]Cc1ccc(CS(=O)(=O)NC)cc1)[C@H]1CCCO1 ZINC000883175315 687582051 /nfs/dbraw/zinc/58/20/51/687582051.db2.gz DOJCSLUCQXWHSW-ZWKOTPCHSA-N 1 0 352.500 2.339 20 30 FEEDRO C=CCCc1ccc(S(=O)(=O)NCC2(COC)CC[NH2+]CC2)cc1 ZINC000883467685 687637797 /nfs/dbraw/zinc/63/77/97/687637797.db2.gz WAFQIZWNUDKXNF-UHFFFAOYSA-N 1 0 352.500 2.100 20 30 FEEDRO N#C[C@H]1C[NH2+]CC12CC(C(=O)NCc1cc(Br)cs1)C2 ZINC000884089808 687786809 /nfs/dbraw/zinc/78/68/09/687786809.db2.gz ANCFUZWJHTZHST-XIRUVYRFSA-N 1 0 354.273 2.266 20 30 FEEDRO COCCC[N@H+](C)CCNC(=O)NCc1ccc(SC)c(C#N)c1 ZINC000884173258 687807845 /nfs/dbraw/zinc/80/78/45/687807845.db2.gz QPSHALAAKCAUFU-UHFFFAOYSA-N 1 0 350.488 2.048 20 30 FEEDRO N#C[C@H]1C[NH2+]CC12CC(C(=O)N1CCc3cc(Br)ccc3C1)C2 ZINC000884322287 687848088 /nfs/dbraw/zinc/84/80/88/687848088.db2.gz JRHJTCSQJPQEMO-CSLYMUCUSA-N 1 0 374.282 2.473 20 30 FEEDRO N#CC1(C[C@H](O)C[NH+]2CCN(c3ncnc4sccc43)CC2)CCC1 ZINC000886049628 688197328 /nfs/dbraw/zinc/19/73/28/688197328.db2.gz QENWUZZMGQQSTL-AWEZNQCLSA-N 1 0 357.483 2.258 20 30 FEEDRO C#CCN(C(=O)[C@@H](O)c1ccccc1C(F)(F)F)C1CC[NH+](C)CC1 ZINC000886572745 688278064 /nfs/dbraw/zinc/27/80/64/688278064.db2.gz YPAPHVFMEDULTO-INIZCTEOSA-N 1 0 354.372 2.295 20 30 FEEDRO C#CCN(C(=O)c1ccc(OCC(F)(F)F)nc1)C1CC[NH+](C)CC1 ZINC000886585340 688280154 /nfs/dbraw/zinc/28/01/54/688280154.db2.gz RLNAGHQHEYTOMS-UHFFFAOYSA-N 1 0 355.360 2.192 20 30 FEEDRO N#CCCc1ccc(S(=O)(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)cc1 ZINC000886889064 688333429 /nfs/dbraw/zinc/33/34/29/688333429.db2.gz DRXLNKRPPKBFKJ-SFHVURJKSA-N 1 0 355.463 2.136 20 30 FEEDRO C[N@@H+]1CCC[C@](O)(CC(=O)Nc2ccc(Br)c(C#N)c2)C1 ZINC000887994965 688532786 /nfs/dbraw/zinc/53/27/86/688532786.db2.gz QMEHMHAABOXENS-HNNXBMFYSA-N 1 0 352.232 2.106 20 30 FEEDRO C[NH+](C)CCn1ccc(C(=O)Nc2ccc(Br)c(C#N)c2)n1 ZINC000887995060 688532881 /nfs/dbraw/zinc/53/28/81/688532881.db2.gz VZGPFQNYBKYMNS-UHFFFAOYSA-N 1 0 362.231 2.331 20 30 FEEDRO C#CCSCC(=O)Nc1ccc(NC(=O)NC2CC[NH+](C)CC2)cc1 ZINC000889071796 688726524 /nfs/dbraw/zinc/72/65/24/688726524.db2.gz NCHYILQHXJAEGZ-UHFFFAOYSA-N 1 0 360.483 2.207 20 30 FEEDRO C#CCSCC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000889906558 688848124 /nfs/dbraw/zinc/84/81/24/688848124.db2.gz GIRUTZHBTKMCDS-ZWKOTPCHSA-N 1 0 351.560 2.148 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)N1CC[C@@H]2CC[C@@]21CNC(=O)OC(C)(C)C ZINC000890823451 688969988 /nfs/dbraw/zinc/96/99/88/688969988.db2.gz PPSDSQYUJAGONJ-HNAYVOBHSA-N 1 0 351.491 2.400 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)N1CC[C@@H]2CC[C@]21CNC(=O)OC(C)(C)C ZINC000890823452 688970005 /nfs/dbraw/zinc/97/00/05/688970005.db2.gz PPSDSQYUJAGONJ-KXBFYZLASA-N 1 0 351.491 2.400 20 30 FEEDRO N#Cc1csc(CNC(=O)NCCC[N@@H+]2CCc3ccccc3C2)n1 ZINC000891892483 689123718 /nfs/dbraw/zinc/12/37/18/689123718.db2.gz JQMCEGUFZFUHJX-UHFFFAOYSA-N 1 0 355.467 2.262 20 30 FEEDRO C=CCS(=O)(=O)CC[NH2+]C[C@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC000893503541 689358478 /nfs/dbraw/zinc/35/84/78/689358478.db2.gz AXLWOAQSKUMWBN-KRWDZBQOSA-N 1 0 360.520 2.214 20 30 FEEDRO C=CCS(=O)(=O)CC[NH2+][C@@H]1CC[C@H](C(=O)OCC)[C@@H](C(F)(F)F)C1 ZINC000893505415 689358520 /nfs/dbraw/zinc/35/85/20/689358520.db2.gz MCIMAYDUQHNODR-AGIUHOORSA-N 1 0 371.421 2.087 20 30 FEEDRO N#Cc1cc(C[N@H+]2C[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3C2)cs1 ZINC000895320109 689695143 /nfs/dbraw/zinc/69/51/43/689695143.db2.gz WFNXLSBYIXLFGK-CALCHBBNSA-N 1 0 351.431 2.237 20 30 FEEDRO N#Cc1c(Br)cccc1N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000897220609 689990042 /nfs/dbraw/zinc/99/00/42/689990042.db2.gz CCHMAMXAQPPWDW-JKSUJKDBSA-N 1 0 350.260 2.356 20 30 FEEDRO C[N@@H+]1C[C@@H](CNC(=O)NCc2nc(C#N)cs2)[C@H](c2ccccc2)C1 ZINC000897262215 689996329 /nfs/dbraw/zinc/99/63/29/689996329.db2.gz VSWFSFPHOSQRDA-ZBFHGGJFSA-N 1 0 355.467 2.159 20 30 FEEDRO CN(C(=O)NCc1nc(C#N)cs1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000897289455 690000648 /nfs/dbraw/zinc/00/06/48/690000648.db2.gz XTQYZYSTRONSND-MRXNPFEDSA-N 1 0 355.467 2.431 20 30 FEEDRO CCOC(=O)C1([C@@H](C)[NH2+][C@@H](C)CC2(C#N)CCOCC2)CCOCC1 ZINC000897740577 690073400 /nfs/dbraw/zinc/07/34/00/690073400.db2.gz BTTROORYUITXDL-JKSUJKDBSA-N 1 0 352.475 2.423 20 30 FEEDRO COc1ccc(C[NH2+][C@@H]2CCN(c3cn[nH]c(=O)c3Cl)C2)cc1C#N ZINC000898364867 690166704 /nfs/dbraw/zinc/16/67/04/690166704.db2.gz RIALXOXXYFYESW-CYBMUJFWSA-N 1 0 359.817 2.084 20 30 FEEDRO COc1cc(C[NH+]2CCC(CN=[S@@](C)(=O)N(C)C)CC2)ccc1C#N ZINC000898398226 690174957 /nfs/dbraw/zinc/17/49/57/690174957.db2.gz ICIQZSJZMRWHLU-RUZDIDTESA-N 1 0 364.515 2.353 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)NCc1cc(Br)c2c(c1)OCCO2 ZINC000900392896 690511159 /nfs/dbraw/zinc/51/11/59/690511159.db2.gz HKBFFYXWEXPKHH-UHFFFAOYSA-N 1 0 369.259 2.344 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)NC[C@H](O)COc1cccc(C(F)(F)F)c1 ZINC000901069145 690608233 /nfs/dbraw/zinc/60/82/33/690608233.db2.gz VTOVJBLGPXKENN-AWEZNQCLSA-N 1 0 360.376 2.069 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)NC[C@@H](CO)Cc1ccccc1C(F)(F)F ZINC000901135496 690617222 /nfs/dbraw/zinc/61/72/22/690617222.db2.gz NZFRGQLSORULSI-AWEZNQCLSA-N 1 0 358.404 2.481 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)N(C)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000901175526 690621505 /nfs/dbraw/zinc/62/15/05/690621505.db2.gz QXFQUBYCICMZJR-AWEZNQCLSA-N 1 0 356.875 2.135 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)N1CCN([C@@H](CO)c2ccc(Cl)cc2)CC1 ZINC000901227471 690627714 /nfs/dbraw/zinc/62/77/14/690627714.db2.gz ZPKYQEKVCFBKOW-SFHVURJKSA-N 1 0 365.905 2.026 20 30 FEEDRO CC[C@@H]([NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1)c1cccc(C#N)c1 ZINC000902886657 690817330 /nfs/dbraw/zinc/81/73/30/690817330.db2.gz QSJBGLUFXXIONG-HZPDHXFCSA-N 1 0 364.492 2.495 20 30 FEEDRO C=CCC[C@H](COc1ccccc1)[NH2+]C[C@@]1(OC)CCS(=O)(=O)C1 ZINC000903363887 690885885 /nfs/dbraw/zinc/88/58/85/690885885.db2.gz SIZWWWDMGBVWAW-AEFFLSMTSA-N 1 0 353.484 2.194 20 30 FEEDRO N#Cc1cc(S(=O)(=O)NC2(C3CC[NH2+]CC3)CC2)ccc1C(F)(F)F ZINC000903557747 690923571 /nfs/dbraw/zinc/92/35/71/690923571.db2.gz JMSMZACVFRKITD-UHFFFAOYSA-N 1 0 373.400 2.388 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2CC[C@@H]3CC[C@@]32C[NH3+])cc1C(F)(F)F ZINC000903589327 690933566 /nfs/dbraw/zinc/93/35/66/690933566.db2.gz OYBHRWFFHVLJQG-SMDDNHRTSA-N 1 0 359.373 2.079 20 30 FEEDRO CO[C@H](C)c1nc(Cc2noc(C3CC4(C3)C[NH2+]C[C@@H]4C#N)n2)cs1 ZINC000904098567 691002426 /nfs/dbraw/zinc/00/24/26/691002426.db2.gz BWRWSQFLOROYAD-CPJULBENSA-N 1 0 359.455 2.431 20 30 FEEDRO N#Cc1ccc(-c2cccc(C[NH2+]C[C@H](O)C[C@@]3(O)CCOC3)c2)s1 ZINC000905134717 691072153 /nfs/dbraw/zinc/07/21/53/691072153.db2.gz OHBKJGXETSZMTE-APWZRJJASA-N 1 0 358.463 2.279 20 30 FEEDRO CC[C@H](C[NH2+]CCS(=O)(=O)c1cccc(C#N)c1)C(=O)OC(C)(C)C ZINC000905551197 691138981 /nfs/dbraw/zinc/13/89/81/691138981.db2.gz CXGZFNBGJYWZSO-OAHLLOKOSA-N 1 0 366.483 2.289 20 30 FEEDRO Cc1cc(Br)c(CC(=O)NC2(C#N)CC[NH+](C)CC2)s1 ZINC000906599676 691290034 /nfs/dbraw/zinc/29/00/34/691290034.db2.gz GAEBBFZWUVFNCQ-UHFFFAOYSA-N 1 0 356.289 2.466 20 30 FEEDRO CC(C)(C)c1csc(NC(=O)C(=O)N2CCC[C@@]23CC[NH2+]C3)c1C#N ZINC000906770859 691313210 /nfs/dbraw/zinc/31/32/10/691313210.db2.gz KXNWFBVBWNYFFR-SFHVURJKSA-N 1 0 360.483 2.210 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000907259354 691434427 /nfs/dbraw/zinc/43/44/27/691434427.db2.gz WYGORWXIRMIRCR-OALUTQOASA-N 1 0 350.503 2.319 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)NC[C@H](CO)Cc1cccc(Br)c1 ZINC000907739807 691550942 /nfs/dbraw/zinc/55/09/42/691550942.db2.gz XBUIMHGQFOSMHO-OAHLLOKOSA-N 1 0 369.303 2.224 20 30 FEEDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncnc3[nH]cc(C#N)c31)C2 ZINC001164806441 720069665 /nfs/dbraw/zinc/06/96/65/720069665.db2.gz CWKBRTPNZSWADL-JXFKEZNVSA-N 1 0 366.469 2.014 20 30 FEEDRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncnc(Cl)c1C#N)C2 ZINC001164807947 720087489 /nfs/dbraw/zinc/08/74/89/720087489.db2.gz GPUSQBUDROKSNE-RDTXWAMCSA-N 1 0 361.877 2.186 20 30 FEEDRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nccc(OC)c1C#N)C2 ZINC001164814370 720100183 /nfs/dbraw/zinc/10/01/83/720100183.db2.gz SDAGLHRWHIGOES-UZLBHIALSA-N 1 0 356.470 2.147 20 30 FEEDRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc(OC)cc(C#N)n1)C2 ZINC001164816175 720122770 /nfs/dbraw/zinc/12/27/70/720122770.db2.gz YBNZLRZNIBERBV-OXQOHEQNSA-N 1 0 356.470 2.147 20 30 FEEDRO Cc1cc(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)ncc1C#N ZINC001164818915 720312963 /nfs/dbraw/zinc/31/29/63/720312963.db2.gz BREGFBXSKNVNOL-RTBURBONSA-N 1 0 367.497 2.173 20 30 FEEDRO Cc1cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc(C#N)n1 ZINC001164837375 720555193 /nfs/dbraw/zinc/55/51/93/720555193.db2.gz MCBWXZKHLRHNKY-RCCFBDPRSA-N 1 0 365.485 2.231 20 30 FEEDRO N#Cc1ccc2ccnc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)c2c1 ZINC001164741589 720675786 /nfs/dbraw/zinc/67/57/86/720675786.db2.gz UHRUFVVHCAJLGU-MSOLQXFVSA-N 1 0 372.432 2.238 20 30 FEEDRO COCC[N@@H+]1CCO[C@H]2CN(c3ncc4c(c3C#N)CCCC4)CC[C@@H]2C1 ZINC001164863008 720890827 /nfs/dbraw/zinc/89/08/27/720890827.db2.gz SGJGXTUBYBAKGL-XLIONFOSSA-N 1 0 370.497 2.006 20 30 FEEDRO Cc1nc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)ccc1CC#N ZINC001164880931 721157403 /nfs/dbraw/zinc/15/74/03/721157403.db2.gz XWMRUFATBLHSFS-PMACEKPBSA-N 1 0 363.465 2.331 20 30 FEEDRO N#Cc1nccnc1N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164907944 721584675 /nfs/dbraw/zinc/58/46/75/721584675.db2.gz WZUMJFXVCSCCBU-SFHVURJKSA-N 1 0 370.407 2.481 20 30 FEEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cnc(C#N)c(C#N)n3)C[C@@H]21 ZINC001165026283 721826024 /nfs/dbraw/zinc/82/60/24/721826024.db2.gz OOLSGXQPPORLDI-OXFYSEKESA-N 1 0 373.464 2.352 20 30 FEEDRO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2c1nc(Cl)c(Cl)cc1C#N ZINC001164928662 721863688 /nfs/dbraw/zinc/86/36/88/721863688.db2.gz ZTSNAGLAAKFIDZ-KGLIPLIRSA-N 1 0 354.285 2.475 20 30 FEEDRO N#Cc1ncc(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)nc1C#N ZINC001164956146 722022667 /nfs/dbraw/zinc/02/26/67/722022667.db2.gz XGNQJKRNONLYRJ-UHFFFAOYSA-N 1 0 359.437 2.107 20 30 FEEDRO N#Cc1ccc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)nc1 ZINC001164960532 722051887 /nfs/dbraw/zinc/05/18/87/722051887.db2.gz RONYZOBTZNDAMQ-UHFFFAOYSA-N 1 0 363.465 2.467 20 30 FEEDRO N#Cc1ccnc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c1F ZINC001164980430 722117675 /nfs/dbraw/zinc/11/76/75/722117675.db2.gz RECRPXRDMSGRFC-MSOLQXFVSA-N 1 0 367.428 2.215 20 30 FEEDRO N#Cc1c(F)ccnc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164979221 722126294 /nfs/dbraw/zinc/12/62/94/722126294.db2.gz POVJIDWZPQWWOK-VQIMIIECSA-N 1 0 367.428 2.215 20 30 FEEDRO Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N1CC[N@@H+](C)CC[C@H]1C ZINC000499127637 889030885 /nfs/dbraw/zinc/03/08/85/889030885.db2.gz MVMHXYWTRAILSJ-CQSZACIVSA-N 1 0 353.430 2.005 20 30 FEEDRO N#Cc1ccnc(N2CC[NH+](CCC(=O)N3CCc4ccccc43)CC2)c1 ZINC000025941338 539772902 /nfs/dbraw/zinc/77/29/02/539772902.db2.gz MHOWFTIHRHRRPB-UHFFFAOYSA-N 1 0 361.449 2.055 20 30 FEEDRO CN(C(=O)C[N@H+](CCC(N)=O)Cc1ccccc1)C1(C#N)CCCCC1 ZINC000027548116 539809663 /nfs/dbraw/zinc/80/96/63/539809663.db2.gz WFLGRBRDALLMNM-UHFFFAOYSA-N 1 0 356.470 2.049 20 30 FEEDRO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000029832239 539865038 /nfs/dbraw/zinc/86/50/38/539865038.db2.gz RNLNZCYKFZXHKH-UONOGXRCSA-N 1 0 356.426 2.408 20 30 FEEDRO Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+](C)[C@H]3CCC[C@@H](C)C3)CC2)o1 ZINC000029820690 539865113 /nfs/dbraw/zinc/86/51/13/539865113.db2.gz YROXLTRLTOTOCT-ZBFHGGJFSA-N 1 0 359.474 2.014 20 30 FEEDRO C=CCNc1ncc(C(=O)N2CCC(C)([NH+]3CCOCC3)CC2)s1 ZINC000530272859 539928367 /nfs/dbraw/zinc/92/83/67/539928367.db2.gz FOYOYBSPBDMFMR-UHFFFAOYSA-N 1 0 350.488 2.068 20 30 FEEDRO C[NH+]1CCC(C#N)(NC(=O)c2cccc(I)c2)CC1 ZINC000040221808 540009095 /nfs/dbraw/zinc/00/90/95/540009095.db2.gz WBEMRYOSRJPJLL-UHFFFAOYSA-N 1 0 369.206 2.009 20 30 FEEDRO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1cccc(OCC#N)c1)C1CCCCC1 ZINC000041642389 540028607 /nfs/dbraw/zinc/02/86/07/540028607.db2.gz PWTCHEXAEXWWJZ-GOSISDBHSA-N 1 0 372.469 2.154 20 30 FEEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1nnnn1C1CC1 ZINC000044120418 540118748 /nfs/dbraw/zinc/11/87/48/540118748.db2.gz GYPLRAASBAYIFW-UHFFFAOYSA-N 1 0 374.518 2.106 20 30 FEEDRO COc1cc(CNC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)ccn1 ZINC000045521736 540215739 /nfs/dbraw/zinc/21/57/39/540215739.db2.gz ZGUYVDXFSPCVCG-UHFFFAOYSA-N 1 0 367.453 2.235 20 30 FEEDRO N#Cc1ccc(CSCC(=O)N2CCN(CC[NH+]3CCCC3)CC2)cc1 ZINC000047777746 540328207 /nfs/dbraw/zinc/32/82/07/540328207.db2.gz PVCWXOBRGHDRGM-UHFFFAOYSA-N 1 0 372.538 2.031 20 30 FEEDRO C=CCNC(=O)c1ccc(NC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)cc1 ZINC000048159438 540348329 /nfs/dbraw/zinc/34/83/29/540348329.db2.gz BXMWAQZUYHXGCV-SFHVURJKSA-N 1 0 374.485 2.081 20 30 FEEDRO CC[NH+](CC)CCN(CC(C)C)C(=O)C(=O)Nc1cc(C#N)ccc1OC ZINC000050167352 540401903 /nfs/dbraw/zinc/40/19/03/540401903.db2.gz GHSVRYQAZVXJDJ-UHFFFAOYSA-N 1 0 374.485 2.332 20 30 FEEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)NCCc3nccs3)CC2)cc1 ZINC000051339181 540430872 /nfs/dbraw/zinc/43/08/72/540430872.db2.gz SILJDZLOXBZJLC-UHFFFAOYSA-N 1 0 369.494 2.475 20 30 FEEDRO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCC(C(=O)Nc2ccccn2)CC1 ZINC000052829000 540491957 /nfs/dbraw/zinc/49/19/57/540491957.db2.gz NNODFKUXWOIPCL-MRXNPFEDSA-N 1 0 356.470 2.321 20 30 FEEDRO CC1CC[NH+](Cc2ccccc2CNS(=O)(=O)N(C)CCC#N)CC1 ZINC000056061960 540698122 /nfs/dbraw/zinc/69/81/22/540698122.db2.gz OGXLNKHNWAKILL-UHFFFAOYSA-N 1 0 364.515 2.098 20 30 FEEDRO CCC[NH+]1CCC(N(C)C(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)CC1 ZINC000057255039 540782457 /nfs/dbraw/zinc/78/24/57/540782457.db2.gz JFENQAFMRMIKJM-UHFFFAOYSA-N 1 0 358.486 2.129 20 30 FEEDRO Cc1ccc(C#N)cc1NC(=O)C(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000057666546 540806750 /nfs/dbraw/zinc/80/67/50/540806750.db2.gz VTACDIBHHQEXGA-HNNXBMFYSA-N 1 0 356.470 2.434 20 30 FEEDRO Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CCC[C@H]3CC(C)(C)C)CC2)o1 ZINC000057863209 540820448 /nfs/dbraw/zinc/82/04/48/540820448.db2.gz HSMCSPOIPFWEPU-INIZCTEOSA-N 1 0 373.501 2.404 20 30 FEEDRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)CN2CCC(C#N)CC2)CC1 ZINC000057874986 540821582 /nfs/dbraw/zinc/82/15/82/540821582.db2.gz LOXHXJJEHWBKNA-UHFFFAOYSA-N 1 0 354.498 2.265 20 30 FEEDRO C=CCOc1cccc(NC(=O)N2CCC(C(=O)NCC[NH+](C)C)CC2)c1 ZINC000062410368 541148821 /nfs/dbraw/zinc/14/88/21/541148821.db2.gz MZYNPNFISGSDQG-UHFFFAOYSA-N 1 0 374.485 2.173 20 30 FEEDRO CC(C)[N@H+](CC(=O)NC(=O)NCc1ccco1)Cc1ccc(C#N)cc1 ZINC000063751188 541183932 /nfs/dbraw/zinc/18/39/32/541183932.db2.gz JDKLRQRDJPRMOQ-UHFFFAOYSA-N 1 0 354.410 2.388 20 30 FEEDRO C=CCN(CC=C)C(=O)C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000064270146 541198622 /nfs/dbraw/zinc/19/86/22/541198622.db2.gz BNAALKZIMIROST-UHFFFAOYSA-N 1 0 373.522 2.417 20 30 FEEDRO CC[NH+](CC)[C@H](CNC(=O)C(=O)Nc1cccc(C#N)c1)c1ccco1 ZINC000065602427 541247956 /nfs/dbraw/zinc/24/79/56/541247956.db2.gz NUCNMWOUAQNHAD-MRXNPFEDSA-N 1 0 354.410 2.289 20 30 FEEDRO CCN(CC(=O)N1CCC[N@H+](Cc2ccc(OC)cc2)CC1)C[C@H](C)C#N ZINC000066424128 541316596 /nfs/dbraw/zinc/31/65/96/541316596.db2.gz BIABGSDCTZUXIK-GOSISDBHSA-N 1 0 372.513 2.211 20 30 FEEDRO CCOc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000067345261 541446944 /nfs/dbraw/zinc/44/69/44/541446944.db2.gz RCMSJRODERWVFN-GJZGRUSLSA-N 1 0 372.469 2.132 20 30 FEEDRO C[N@@H+]1CC[C@H]2CCN(C(=O)Nc3ccn(-c4cccc(F)c4C#N)n3)[C@@H]2C1 ZINC000542839637 541484076 /nfs/dbraw/zinc/48/40/76/541484076.db2.gz IQTSYVBHWZPNDX-SUMWQHHRSA-N 1 0 368.416 2.441 20 30 FEEDRO C[C@H]1C[C@@H](NC(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CC[N@@H+]1C ZINC000542838651 541484641 /nfs/dbraw/zinc/48/46/41/541484641.db2.gz MWMDCBAFBLDSGZ-STQMWFEESA-N 1 0 356.405 2.487 20 30 FEEDRO CC(C)[N@@H+]1CCCN(CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CC1 ZINC000069080661 541655471 /nfs/dbraw/zinc/65/54/71/541655471.db2.gz RBLUDNYHYAWCKL-UHFFFAOYSA-N 1 0 366.469 2.099 20 30 FEEDRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 ZINC000544637450 541798414 /nfs/dbraw/zinc/79/84/14/541798414.db2.gz GWWWIOGILMNMOS-CHWSQXEVSA-N 1 0 356.405 2.439 20 30 FEEDRO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 ZINC000544637452 541798459 /nfs/dbraw/zinc/79/84/59/541798459.db2.gz GWWWIOGILMNMOS-QWHCGFSZSA-N 1 0 356.405 2.439 20 30 FEEDRO C[C@@H](C(=O)Nc1cccc(F)c1)N1CC[NH+](CCCSCC#N)CC1 ZINC000072515021 541824543 /nfs/dbraw/zinc/82/45/43/541824543.db2.gz JODPIQLHFPLLKS-HNNXBMFYSA-N 1 0 364.490 2.417 20 30 FEEDRO N#Cc1ccc(CO[NH+]=C(N)c2ccc(N3CCC(O)CC3)cc2)c(F)c1 ZINC000072921410 541893783 /nfs/dbraw/zinc/89/37/83/541893783.db2.gz BFMIGNIWZNUQCI-UHFFFAOYSA-N 1 0 368.412 2.496 20 30 FEEDRO CC[C@@H]1CN(C(=O)CNc2ccc(C#N)cn2)CC[N@@H+]1Cc1ccccc1 ZINC000545403932 541961230 /nfs/dbraw/zinc/96/12/30/541961230.db2.gz FOUXUFIJUAJYTK-LJQANCHMSA-N 1 0 363.465 2.488 20 30 FEEDRO CN1CCC(CNC(=O)NCC#Cc2ccccc2)([NH+]2CCCCC2)CC1 ZINC000073571439 541968638 /nfs/dbraw/zinc/96/86/38/541968638.db2.gz PAAUUCZUBXFHOB-UHFFFAOYSA-N 1 0 368.525 2.288 20 30 FEEDRO CN(Cc1cccc(Cl)c1)C(NC[C@H]1CCS(=O)(=O)C1)=[NH+]C1CC1 ZINC000073780962 541998568 /nfs/dbraw/zinc/99/85/68/541998568.db2.gz XNOWUBBDVGFMSJ-CQSZACIVSA-N 1 0 369.918 2.315 20 30 FEEDRO C=CCc1ccccc1OC[C@H](O)C[NH+]1CCC(C(=O)NCCC)CC1 ZINC000073800537 542000849 /nfs/dbraw/zinc/00/08/49/542000849.db2.gz BHCSIRJUVKQUOX-LJQANCHMSA-N 1 0 360.498 2.393 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@@H]1CCC[C@@H](C(N)=O)C1)C(C)C ZINC000247399924 549329153 /nfs/dbraw/zinc/32/91/53/549329153.db2.gz RGAIHZLITCVIPM-BRWVUGGUSA-N 1 0 350.507 2.028 20 30 FEEDRO C[C@H](C(=O)NC1CCN(c2ccc(C#N)cn2)CC1)[NH+]1CCCCCC1 ZINC000074563528 542098261 /nfs/dbraw/zinc/09/82/61/542098261.db2.gz WXOXQMTULZMKJV-MRXNPFEDSA-N 1 0 355.486 2.303 20 30 FEEDRO N#Cc1ccccc1N1CCC[N@@H+](C[C@H](O)COCc2ccco2)CC1 ZINC000076199773 542242851 /nfs/dbraw/zinc/24/28/51/542242851.db2.gz XWARBFOCHXKKIU-SFHVURJKSA-N 1 0 355.438 2.241 20 30 FEEDRO COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000076980432 542337199 /nfs/dbraw/zinc/33/71/99/542337199.db2.gz PYCSPVZXZIBYNQ-LJQANCHMSA-N 1 0 356.470 2.201 20 30 FEEDRO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+]CCO[C@@H](C)C#N)cc1 ZINC000801930937 674155710 /nfs/dbraw/zinc/15/57/10/674155710.db2.gz ZWMOZZAINWWBGR-LSDHHAIUSA-N 1 0 353.488 2.296 20 30 FEEDRO CCN1CC[C@H]([NH2+]CC(=O)NCCC#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000801958065 674157046 /nfs/dbraw/zinc/15/70/46/674157046.db2.gz WHKZKHLNJNCJLN-DOTOQJQBSA-N 1 0 352.841 2.234 20 30 FEEDRO CCN(Cc1ccccc1)C(=O)CNC(=[NH2+])N[C@@H]1CCOc2ccccc21 ZINC000083033543 542690172 /nfs/dbraw/zinc/69/01/72/542690172.db2.gz CHFVUNDEIWNJMB-GOSISDBHSA-N 1 0 366.465 2.463 20 30 FEEDRO CN(C)C(=O)c1cc(NC(=O)N(CCC#N)CCC[NH+](C)C)ccc1F ZINC000086303268 542735966 /nfs/dbraw/zinc/73/59/66/542735966.db2.gz GEDKJVNMUFOJPD-UHFFFAOYSA-N 1 0 363.437 2.227 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H](C)Cc2ccc(OC)cc2)c1C#N ZINC000089677843 542768400 /nfs/dbraw/zinc/76/84/00/542768400.db2.gz RKJZXGZGSAIXOI-ZDUSSCGKSA-N 1 0 355.442 2.259 20 30 FEEDRO N#CCOc1cccc(CC(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)c1 ZINC000089777725 542770835 /nfs/dbraw/zinc/77/08/35/542770835.db2.gz PQPKUHKFVGCDCV-PMACEKPBSA-N 1 0 371.481 2.016 20 30 FEEDRO N#CCOc1cccc(CC(=O)NCC2([NH+]3CCCCC3)CCOCC2)c1 ZINC000089824982 542771821 /nfs/dbraw/zinc/77/18/21/542771821.db2.gz TUBPUYAVDZPKTK-UHFFFAOYSA-N 1 0 371.481 2.283 20 30 FEEDRO N#CCC[C@@H]([NH2+]C1CCN(CCN2CCOCC2)CC1)c1ccccc1 ZINC000090665461 542788549 /nfs/dbraw/zinc/78/85/49/542788549.db2.gz VYEGRYLOLRZLJH-OAQYLSRUSA-N 1 0 356.514 2.418 20 30 FEEDRO CN1CCN(C[C@H]([NH2+]Cc2cnc3ccc(C#N)cn23)c2ccccc2)CC1 ZINC000092175231 542847404 /nfs/dbraw/zinc/84/74/04/542847404.db2.gz DTGCTHWVURFUMZ-NRFANRHFSA-N 1 0 374.492 2.284 20 30 FEEDRO Cc1ocnc1CNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000092522986 542868673 /nfs/dbraw/zinc/86/86/73/542868673.db2.gz OGDBBLVUMJYWQO-UHFFFAOYSA-N 1 0 353.426 2.272 20 30 FEEDRO COC(=O)C(C)(C)[C@H]1CCC[N@H+](C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000093281515 542923902 /nfs/dbraw/zinc/92/39/02/542923902.db2.gz SBTBFFCYKHUKOZ-IRXDYDNUSA-N 1 0 360.454 2.209 20 30 FEEDRO C#CCCOc1ccc(C[NH+]2CCC(N(CC)S(C)(=O)=O)CC2)cc1 ZINC000093320716 542926450 /nfs/dbraw/zinc/92/64/50/542926450.db2.gz HUMQXPSPKVVNEB-UHFFFAOYSA-N 1 0 364.511 2.335 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N2CCCN(C(=O)Oc3ccccc3)CC2)CC1 ZINC000101532366 543029053 /nfs/dbraw/zinc/02/90/53/543029053.db2.gz PTLJEMUAFLXGMJ-UHFFFAOYSA-N 1 0 369.465 2.065 20 30 FEEDRO COc1cc[nH+]c(N2CCN(C(=O)[C@@H](C)Oc3ccc(C#N)cc3)CC2)c1 ZINC000104516489 543133181 /nfs/dbraw/zinc/13/31/81/543133181.db2.gz WFBSJOUZKYEIRM-OAHLLOKOSA-N 1 0 366.421 2.078 20 30 FEEDRO N#Cc1ccc(N2CCC([NH2+]Cc3nccn3CC(F)(F)F)CC2)nc1 ZINC000105429480 543173853 /nfs/dbraw/zinc/17/38/53/543173853.db2.gz XGHIHSIRPYHCHS-UHFFFAOYSA-N 1 0 364.375 2.471 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CC(=O)N(c3ccccc3OC)C2)CC1 ZINC000106037385 543186000 /nfs/dbraw/zinc/18/60/00/543186000.db2.gz JBFVJPPTXPSYMC-MRXNPFEDSA-N 1 0 371.481 2.205 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2ccc(N3CCOCC3)cc2)CC1 ZINC000106265889 543221655 /nfs/dbraw/zinc/22/16/55/543221655.db2.gz IJYOXYUGCIXNNF-UHFFFAOYSA-N 1 0 372.513 2.363 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@H](c2ccccc2)N2CCC(O)CC2)CC1 ZINC000106290655 543221809 /nfs/dbraw/zinc/22/18/09/543221809.db2.gz ACWNEULAFJNQDD-NRFANRHFSA-N 1 0 371.525 2.341 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(N(C)C)cc2C)CC1 ZINC000106349535 543224650 /nfs/dbraw/zinc/22/46/50/543224650.db2.gz OTCSEKYWVZKFOL-UHFFFAOYSA-N 1 0 358.486 2.156 20 30 FEEDRO COc1ccc(C[NH2+]C[C@H]2CN(C3CC3)CCO2)cc1OCCCC#N ZINC000106379793 543227187 /nfs/dbraw/zinc/22/71/87/543227187.db2.gz BOOYDCQCFAVSOG-SFHVURJKSA-N 1 0 359.470 2.331 20 30 FEEDRO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)CCc1ccc(Br)cc1 ZINC000106861800 543250925 /nfs/dbraw/zinc/25/09/25/543250925.db2.gz JSDFBUBRERGAJR-GFCCVEGCSA-N 1 0 368.275 2.324 20 30 FEEDRO CC[NH+](CC)CCCNC(=O)C(=O)Nc1ccccc1SCCC#N ZINC000108603924 543297035 /nfs/dbraw/zinc/29/70/35/543297035.db2.gz MYRBQSOTSRALOW-UHFFFAOYSA-N 1 0 362.499 2.479 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)Nc2cc(C(C)C)nn2-c2ncccn2)CC1 ZINC000108733266 543300726 /nfs/dbraw/zinc/30/07/26/543300726.db2.gz QFOIPLOBMHLUJC-UHFFFAOYSA-N 1 0 352.442 2.069 20 30 FEEDRO C#CCOc1cccc(NC(=O)NC[C@H](C(C)C)[NH+]2CCN(C)CC2)c1 ZINC000108520010 543292509 /nfs/dbraw/zinc/29/25/09/543292509.db2.gz AOYZFTYERDKSGF-LJQANCHMSA-N 1 0 358.486 2.092 20 30 FEEDRO C=CCNC(=O)NC(=O)C[NH+]1CCC(c2c[nH]c3cc(F)ccc32)CC1 ZINC000111260732 543390065 /nfs/dbraw/zinc/39/00/65/543390065.db2.gz KODJPQVSHQPDQZ-UHFFFAOYSA-N 1 0 358.417 2.498 20 30 FEEDRO CNC(=O)[C@@H]1CCC[N@H+](CC(=O)N(CCC#N)c2ccc(C)c(C)c2)C1 ZINC000111267102 543390543 /nfs/dbraw/zinc/39/05/43/543390543.db2.gz ZPABYRHWGLBJFG-QGZVFWFLSA-N 1 0 356.470 2.008 20 30 FEEDRO C#CCOc1cccc(NC(=O)C(=O)NCCCCC[NH+]2CCCCC2)c1 ZINC000111919755 543425483 /nfs/dbraw/zinc/42/54/83/543425483.db2.gz MVEUIWPSWZOAGR-UHFFFAOYSA-N 1 0 371.481 2.410 20 30 FEEDRO C[C@@H]([NH2+]CC1(N2CCSCC2)CCCCC1)C(=O)N(C)CCC#N ZINC000112547528 543451018 /nfs/dbraw/zinc/45/10/18/543451018.db2.gz BVAKPKFKZQNHOE-MRXNPFEDSA-N 1 0 352.548 2.088 20 30 FEEDRO C=CCc1ccc(OCC(=O)NCC2([NH+](C)C)CCOCC2)c(OC)c1 ZINC000113990264 543500421 /nfs/dbraw/zinc/50/04/21/543500421.db2.gz HSUNHQGCKKMYBG-UHFFFAOYSA-N 1 0 362.470 2.030 20 30 FEEDRO C=CC[C@H](C)NC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000117077071 543623260 /nfs/dbraw/zinc/62/32/60/543623260.db2.gz NWJBWCSKWUNGTG-LBPRGKRZSA-N 1 0 353.850 2.300 20 30 FEEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000118105486 543645685 /nfs/dbraw/zinc/64/56/85/543645685.db2.gz LQHZXCFFSGADRQ-KGLIPLIRSA-N 1 0 360.483 2.087 20 30 FEEDRO C[C@@H](CNC(=O)C(=O)Nc1ccccc1SCCC#N)[N@H+](C)C1CC1 ZINC000118128972 543647601 /nfs/dbraw/zinc/64/76/01/543647601.db2.gz FZHYSVQCKCNGCB-ZDUSSCGKSA-N 1 0 360.483 2.230 20 30 FEEDRO COC(=O)c1ccc(NC(=O)N(CCC#N)CCC[NH+](C)C)cc1F ZINC000121479899 543695154 /nfs/dbraw/zinc/69/51/54/543695154.db2.gz FLNXXGXJVOKFRV-UHFFFAOYSA-N 1 0 350.394 2.312 20 30 FEEDRO C#CCOc1cccc(NC(=O)NC[C@H](C)C[NH+]2CCN(CC)CC2)c1 ZINC000118821251 543659771 /nfs/dbraw/zinc/65/97/71/543659771.db2.gz BPVONZWKLITJEH-KRWDZBQOSA-N 1 0 358.486 2.094 20 30 FEEDRO C[C@H]1C[NH+](CC2CCN(C(=O)Nc3ccn(CCC#N)n3)CC2)C[C@H](C)O1 ZINC000118894249 543660871 /nfs/dbraw/zinc/66/08/71/543660871.db2.gz VWOIDZKMBNDRNM-HOTGVXAUSA-N 1 0 374.489 2.150 20 30 FEEDRO C=CCOc1cccc(C[NH2+]C2CCN(C(=O)c3cnccn3)CC2)c1 ZINC000124658330 543835699 /nfs/dbraw/zinc/83/56/99/543835699.db2.gz YCQLZZLLGMBHAG-UHFFFAOYSA-N 1 0 352.438 2.436 20 30 FEEDRO N#Cc1ccc(NC(=O)C[N@@H+]2CCCC[C@H]2[C@H]2CNC(=O)C2)cc1Cl ZINC000125449852 543882716 /nfs/dbraw/zinc/88/27/16/543882716.db2.gz VKUJQYWRGALCIB-CJNGLKHVSA-N 1 0 360.845 2.141 20 30 FEEDRO CN1CC[NH+]([C@@H]2CCCCN(C(=O)Nc3ccc(F)c(C#N)c3)C2)CC1 ZINC000126280903 543927736 /nfs/dbraw/zinc/92/77/36/543927736.db2.gz GLSMIXRLZZQBIB-QGZVFWFLSA-N 1 0 359.449 2.331 20 30 FEEDRO C[C@@H]1C[C@@H](NC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)C[N@@H+]1C1CC1 ZINC000127834459 544016039 /nfs/dbraw/zinc/01/60/39/544016039.db2.gz AZBPLNZRKPIONS-GDBMZVCRSA-N 1 0 371.460 2.154 20 30 FEEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+][C@@H]2CCCC[C@@H]2n2cccn2)c1 ZINC000127930221 544022603 /nfs/dbraw/zinc/02/26/03/544022603.db2.gz RGXRRJCCMHKELZ-MSOLQXFVSA-N 1 0 358.467 2.302 20 30 FEEDRO N#Cc1ccc(C(F)(F)F)c(N2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)c1 ZINC000127996165 544026793 /nfs/dbraw/zinc/02/67/93/544026793.db2.gz ANWJGJRPNNLRRT-HNNXBMFYSA-N 1 0 366.387 2.496 20 30 FEEDRO C[C@H]1CN(c2ccc(C(=O)N(CCC#N)CCC[NH+](C)C)cn2)C[C@H](C)O1 ZINC000129015999 544085941 /nfs/dbraw/zinc/08/59/41/544085941.db2.gz FMVGTBMNBLWECT-IRXDYDNUSA-N 1 0 373.501 2.003 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)CC[C@@H]1Cc2ccccc2NC1=O ZINC000130803653 544165425 /nfs/dbraw/zinc/16/54/25/544165425.db2.gz CMTRIVSTAXZYLM-QGZVFWFLSA-N 1 0 356.470 2.272 20 30 FEEDRO C#CCNC(=O)CN1CCCN(C(=O)/C(C)=C\c2ccccc2Cl)CC1 ZINC000131539135 544194399 /nfs/dbraw/zinc/19/43/99/544194399.db2.gz XXAIDDUQKGSIMM-PEZBUJJGSA-N 1 0 373.884 2.027 20 30 FEEDRO Cn1nccc1C1C[C@H]2CC[C@@H](C1)N2Cn1nc(CC#N)n(C)c1=S ZINC000802747279 674195709 /nfs/dbraw/zinc/19/57/09/674195709.db2.gz QPHYUZXDSWUCJG-AGUYFDCRSA-N 1 0 357.487 2.119 20 30 FEEDRO N#CCCN(CC1CC1)C(=O)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000132695840 544240753 /nfs/dbraw/zinc/24/07/53/544240753.db2.gz YQVCQFBNMYHJRQ-UHFFFAOYSA-N 1 0 368.481 2.416 20 30 FEEDRO Cn1cc(C#N)cc1C(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1 ZINC000133448043 544270089 /nfs/dbraw/zinc/27/00/89/544270089.db2.gz UGNGSTJYTMSLIK-ROUUACIJSA-N 1 0 372.856 2.352 20 30 FEEDRO CC[NH+](CC)[C@H](C)CNC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 ZINC000134121533 544295162 /nfs/dbraw/zinc/29/51/62/544295162.db2.gz GNYYRVKQHSDKGI-OAHLLOKOSA-N 1 0 365.499 2.224 20 30 FEEDRO C=C(C)COCCNC(=O)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000135022590 544331557 /nfs/dbraw/zinc/33/15/57/544331557.db2.gz FLFBCFPUCXWTQW-CALCHBBNSA-N 1 0 353.507 2.110 20 30 FEEDRO C=CCNc1ncc(C(=O)NC2CC[NH+](CCOC(C)C)CC2)s1 ZINC000136314649 544370994 /nfs/dbraw/zinc/37/09/94/544370994.db2.gz HVPIIBBNMFLKNT-UHFFFAOYSA-N 1 0 352.504 2.360 20 30 FEEDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2S(=O)(=O)c2cccc(Cl)c2C#N)C1 ZINC000247508716 549348106 /nfs/dbraw/zinc/34/81/06/549348106.db2.gz MZFDZRFJFKVREQ-WFASDCNBSA-N 1 0 353.875 2.316 20 30 FEEDRO CC(C)[C@H](Oc1ccccc1C#N)C(=O)NCCCC[N@@H+]1CCC[C@@H]1CO ZINC000152196801 544624100 /nfs/dbraw/zinc/62/41/00/544624100.db2.gz RKMPQDZFVLUDTR-QUCCMNQESA-N 1 0 373.497 2.315 20 30 FEEDRO N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@H](c3nncn3C3CC3)C2)cc1 ZINC000152403283 544648643 /nfs/dbraw/zinc/64/86/43/544648643.db2.gz OGLUKDGCPLHBPS-WMZOPIPTSA-N 1 0 367.453 2.104 20 30 FEEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(Cc2ccc(OC)cc2)CC1 ZINC000155172389 544997329 /nfs/dbraw/zinc/99/73/29/544997329.db2.gz LNXRQEVRMXOFED-OAHLLOKOSA-N 1 0 359.470 2.350 20 30 FEEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000552472204 674211226 /nfs/dbraw/zinc/21/12/26/674211226.db2.gz BNLVHESAZZDRKX-LBPRGKRZSA-N 1 0 367.902 2.269 20 30 FEEDRO CC(=O)N(C)C1CC[NH+](Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1 ZINC000179998022 327667535 /nfs/dbraw/zinc/66/75/35/327667535.db2.gz MCHFCUCCEZEZNX-UHFFFAOYSA-N 1 0 351.454 2.401 20 30 FEEDRO CC[C@@H]([NH2+]Cc1ccc(OC)c(C#N)c1)c1cccc(S(N)(=O)=O)c1 ZINC000181738618 327744118 /nfs/dbraw/zinc/74/41/18/327744118.db2.gz NLZLQVLJQIIARE-QGZVFWFLSA-N 1 0 359.451 2.455 20 30 FEEDRO C[S@@](=O)C[C@@H]([NH2+]C[C@H](O)COc1ccc(C#N)cc1)c1ccccc1 ZINC000183122182 327802598 /nfs/dbraw/zinc/80/25/98/327802598.db2.gz UKELCVKGBXPLFW-SXMMONRFSA-N 1 0 358.463 2.007 20 30 FEEDRO N#Cc1ccc(Cl)c(NC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)c1 ZINC000190022140 328183094 /nfs/dbraw/zinc/18/30/94/328183094.db2.gz SAUCFCXSDWCJDE-CQSZACIVSA-N 1 0 360.845 2.237 20 30 FEEDRO COc1cccc(CN(CC[NH+](C)C)S(=O)(=O)c2ccc(C#N)cc2)c1 ZINC000190497030 328211633 /nfs/dbraw/zinc/21/16/33/328211633.db2.gz UWYYIUUECLTJNF-UHFFFAOYSA-N 1 0 373.478 2.319 20 30 FEEDRO CCCN(CCC[NH+](C)C)C(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000191668048 328276599 /nfs/dbraw/zinc/27/65/99/328276599.db2.gz BRAIUQMQYMLUTJ-UHFFFAOYSA-N 1 0 355.446 2.335 20 30 FEEDRO Cc1nc(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)ccc1C#N ZINC000192220137 328307539 /nfs/dbraw/zinc/30/75/39/328307539.db2.gz LSPLPZAAQDZMKN-LJQANCHMSA-N 1 0 364.449 2.283 20 30 FEEDRO COc1ccc(C[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1OC ZINC000192244890 328308796 /nfs/dbraw/zinc/30/87/96/328308796.db2.gz QTDZGCCMUVQOBF-GOSISDBHSA-N 1 0 365.433 2.466 20 30 FEEDRO N#Cc1cc(S(=O)(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)ccc1F ZINC000192987395 328350700 /nfs/dbraw/zinc/35/07/00/328350700.db2.gz UXXXUOTUVGZPPX-MRXNPFEDSA-N 1 0 373.453 2.498 20 30 FEEDRO CCc1ccc([C@@H](CNC(=O)C(=O)Nc2cccc(C#N)c2)[NH+](C)C)cc1 ZINC000048846374 324675126 /nfs/dbraw/zinc/67/51/26/324675126.db2.gz NKPWURHAVGBJPZ-LJQANCHMSA-N 1 0 364.449 2.478 20 30 FEEDRO Cc1ccc(C#N)cc1NC(=O)C(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC000084347669 325234108 /nfs/dbraw/zinc/23/41/08/325234108.db2.gz XTQGVKXJQQEEHC-UHFFFAOYSA-N 1 0 370.478 2.457 20 30 FEEDRO C[C@H](NC(=O)NC1CCN(c2ccc(C#N)cn2)CC1)C(C)(C)C[NH+](C)C ZINC000085360409 325251418 /nfs/dbraw/zinc/25/14/18/325251418.db2.gz NAOZJGISSDNZSM-HNNXBMFYSA-N 1 0 372.517 2.198 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H](C)CCOc2ccccc2)c1C#N ZINC000089676907 325326686 /nfs/dbraw/zinc/32/66/86/325326686.db2.gz FSFCBVQFDLCUBZ-AWEZNQCLSA-N 1 0 355.442 2.477 20 30 FEEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000089936671 325342858 /nfs/dbraw/zinc/34/28/58/325342858.db2.gz VJEAEDKOAVGTHE-OAHLLOKOSA-N 1 0 364.515 2.389 20 30 FEEDRO Cc1ccc(F)cc1NC(=O)[C@@H](C)[N@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000089943593 325343680 /nfs/dbraw/zinc/34/36/80/325343680.db2.gz MPKCJSIXZGIINZ-GFCCVEGCSA-N 1 0 358.421 2.203 20 30 FEEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1ncn(-c2ccccc2)n1 ZINC000092282848 325408791 /nfs/dbraw/zinc/40/87/91/325408791.db2.gz HJHWKBDCNOZQNM-UHFFFAOYSA-N 1 0 374.448 2.343 20 30 FEEDRO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)COc1ccccc1C#N ZINC000116251606 326002083 /nfs/dbraw/zinc/00/20/83/326002083.db2.gz ZUTJQBFXYDPZKL-APWZRJJASA-N 1 0 364.449 2.359 20 30 FEEDRO CC[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 ZINC000118986392 326116005 /nfs/dbraw/zinc/11/60/05/326116005.db2.gz MCJCBJXLQYVQCT-CVEARBPZSA-N 1 0 359.474 2.062 20 30 FEEDRO CC(C)Oc1ccc(NC(=O)C(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1C#N ZINC000119207823 326137709 /nfs/dbraw/zinc/13/77/09/326137709.db2.gz BNWFQMVDUXKOMG-CJNGLKHVSA-N 1 0 370.453 2.025 20 30 FEEDRO CC(C)Oc1ccc(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)cc1C#N ZINC000119441632 326162918 /nfs/dbraw/zinc/16/29/18/326162918.db2.gz LFGVRBJVFQDEAE-YOEHRIQHSA-N 1 0 372.469 2.083 20 30 FEEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cc(C#N)ccc2Cl)[C@H](C)C1 ZINC000119766952 326196011 /nfs/dbraw/zinc/19/60/11/326196011.db2.gz HYXXLLXIRSJCMC-MLGOLLRUSA-N 1 0 362.861 2.339 20 30 FEEDRO Cc1cc(C#N)ccc1C(=O)NCc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000121315579 326328826 /nfs/dbraw/zinc/32/88/26/326328826.db2.gz FBJRBQBYOZGPKO-UHFFFAOYSA-N 1 0 364.449 2.088 20 30 FEEDRO C[C@H]1CCC[N@@H+]1C1CCN(C(=O)C(=O)Nc2ccc(F)cc2C#N)CC1 ZINC000121703204 326359536 /nfs/dbraw/zinc/35/95/36/326359536.db2.gz ZXYMTIRDXXRHQN-ZDUSSCGKSA-N 1 0 358.417 2.111 20 30 FEEDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NS(=O)(=O)c1cccc(C#N)c1 ZINC000162387527 327024567 /nfs/dbraw/zinc/02/45/67/327024567.db2.gz DNPFHZXHBFJMIP-BEFAXECRSA-N 1 0 355.463 2.357 20 30 FEEDRO COCC[N@H+](C)CCCC1CCN(c2nccc(C#N)c2[N+](=O)[O-])CC1 ZINC000162588558 327029238 /nfs/dbraw/zinc/02/92/38/327029238.db2.gz VVOVXEXXZOFCRY-UHFFFAOYSA-N 1 0 361.446 2.436 20 30 FEEDRO Cc1nc(C#N)c(N2CCN(C(=O)C[NH2+][C@H]3CCCC[C@H]3C(C)C)CC2)o1 ZINC000162601260 327029636 /nfs/dbraw/zinc/02/96/36/327029636.db2.gz GKCFUFZIPDIOCW-IRXDYDNUSA-N 1 0 373.501 2.308 20 30 FEEDRO C[NH+](C)CC[C@@H](NS(=O)(=O)Cc1cc(C#N)ccc1F)C(C)(C)C ZINC000162959099 327038676 /nfs/dbraw/zinc/03/86/76/327038676.db2.gz TWIJBOWZXNAZCL-MRXNPFEDSA-N 1 0 355.479 2.483 20 30 FEEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000163631992 327055405 /nfs/dbraw/zinc/05/54/05/327055405.db2.gz ANXVBGSAQGFJHG-KRWDZBQOSA-N 1 0 372.513 2.280 20 30 FEEDRO CC[NH+](CC)C[C@H]1CCN(S(=O)(=O)Cc2cc(C#N)ccc2F)C1 ZINC000163950352 327061837 /nfs/dbraw/zinc/06/18/37/327061837.db2.gz ODONIHNBYPMQOV-OAHLLOKOSA-N 1 0 353.463 2.191 20 30 FEEDRO N#Cc1ccc(CN(C(=O)NCCCC[NH+]2CCOCC2)C2CC2)cc1 ZINC000171306843 327131227 /nfs/dbraw/zinc/13/12/27/327131227.db2.gz HHYJVJNJVJKPDC-UHFFFAOYSA-N 1 0 356.470 2.345 20 30 FEEDRO CC1(C)COCCN1CCNC(=O)CCCCOc1cccc(C#N)c1 ZINC000171778321 327161061 /nfs/dbraw/zinc/16/10/61/327161061.db2.gz CCKNYCGAEJDCDU-UHFFFAOYSA-N 1 0 359.470 2.334 20 30 FEEDRO CNC(=O)c1cccc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1 ZINC000172804335 327220286 /nfs/dbraw/zinc/22/02/86/327220286.db2.gz CWJLZRCSRZNUHP-UHFFFAOYSA-N 1 0 364.449 2.122 20 30 FEEDRO N#Cc1cc(S(=O)(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)ccc1F ZINC000173866916 327289907 /nfs/dbraw/zinc/28/99/07/327289907.db2.gz GEQLEGGXAVKGEA-OAHLLOKOSA-N 1 0 351.447 2.240 20 30 FEEDRO C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000174237912 327314793 /nfs/dbraw/zinc/31/47/93/327314793.db2.gz OQERPIGYSYGBQK-QGZVFWFLSA-N 1 0 370.497 2.462 20 30 FEEDRO CC[NH+](CC)CCN(CC(C)C)C(=O)C(=O)Nc1ccc(F)cc1C#N ZINC000175953353 327423901 /nfs/dbraw/zinc/42/39/01/327423901.db2.gz LXKRDPPOAIXRDV-UHFFFAOYSA-N 1 0 362.449 2.462 20 30 FEEDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)N2CCN(c3cccc(F)c3C#N)CC2)C1 ZINC000176572353 327464212 /nfs/dbraw/zinc/46/42/12/327464212.db2.gz MQLPOHZKWNUSIB-CVEARBPZSA-N 1 0 373.476 2.402 20 30 FEEDRO N#Cc1cc(S(=O)(=O)NC2CC[NH+](C3CCCC3)CC2)ccc1F ZINC000176939650 327486279 /nfs/dbraw/zinc/48/62/79/327486279.db2.gz FZZKFFNFLXVZGE-UHFFFAOYSA-N 1 0 351.447 2.383 20 30 FEEDRO N#Cc1cc(S(=O)(=O)N2CCC[C@@H](CC[NH3+])C2)ccc1C(F)(F)F ZINC000262323070 328858981 /nfs/dbraw/zinc/85/89/81/328858981.db2.gz QORNJTXYAGPEKP-NSHDSACASA-N 1 0 361.389 2.327 20 30 FEEDRO CCO[C@H]1C[C@@H](O)C12CC[NH+](CCOc1ccc(C#N)cc1OC)CC2 ZINC000265954123 329176114 /nfs/dbraw/zinc/17/61/14/329176114.db2.gz HWLWHBHOSLCQGN-MOPGFXCFSA-N 1 0 360.454 2.198 20 30 FEEDRO COCCC[N@H+](C)CCNC(=O)c1occc1COc1cccc(C#N)c1 ZINC000266139421 329194130 /nfs/dbraw/zinc/19/41/30/329194130.db2.gz GLTVTVYFRARTCF-UHFFFAOYSA-N 1 0 371.437 2.428 20 30 FEEDRO Cc1cc(C)c(C#N)c(N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)n1 ZINC000266425571 329221523 /nfs/dbraw/zinc/22/15/23/329221523.db2.gz SQUMHBGIOHTHKT-UHFFFAOYSA-N 1 0 369.513 2.389 20 30 FEEDRO N#Cc1ccc(NC(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)c(Cl)c1 ZINC000269063097 329482317 /nfs/dbraw/zinc/48/23/17/329482317.db2.gz BYIVTVNDQSNVJU-UHFFFAOYSA-N 1 0 360.845 2.141 20 30 FEEDRO C[NH+](C)CCCCCCCNC(=O)C(=O)N1CCc2ccc(C#N)cc21 ZINC000270248390 329585138 /nfs/dbraw/zinc/58/51/38/329585138.db2.gz WZFDFASJTGULNH-UHFFFAOYSA-N 1 0 356.470 2.076 20 30 FEEDRO CS[C@@H]1CN([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C[C@@H]1[NH+](C)C ZINC000270659676 329619465 /nfs/dbraw/zinc/61/94/65/329619465.db2.gz OJQXQXVMESMHTE-TUKIKUTGSA-N 1 0 350.488 2.073 20 30 FEEDRO N#Cc1ccc(OCC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000271672048 329714000 /nfs/dbraw/zinc/71/40/00/329714000.db2.gz LMFBHLCJDKUBAQ-UHFFFAOYSA-N 1 0 350.422 2.365 20 30 FEEDRO CS[C@@H]1CN(C(=O)c2c(F)cc(C#N)cc2F)C[C@H]1[NH+]1CCCC1 ZINC000274190952 329924557 /nfs/dbraw/zinc/92/45/57/329924557.db2.gz LOXTVXHZLSYCMP-HUUCEWRRSA-N 1 0 351.422 2.488 20 30 FEEDRO N#Cc1c(C[N@H+]2CC[C@H](C(=O)NCC(F)(F)F)C2)cn2ccccc12 ZINC000275125079 330013146 /nfs/dbraw/zinc/01/31/46/330013146.db2.gz QQLRLJBOKNVUNK-LBPRGKRZSA-N 1 0 350.344 2.311 20 30 FEEDRO CO[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000275171843 330017987 /nfs/dbraw/zinc/01/79/87/330017987.db2.gz BDFJXNXYZBPBCM-IAGOWNOFSA-N 1 0 353.426 2.230 20 30 FEEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(C#N)cc2Cl)[C@@H](C)C1 ZINC000276211305 330129568 /nfs/dbraw/zinc/12/95/68/330129568.db2.gz ZYEMVDHRAPEZFF-BLLLJJGKSA-N 1 0 362.861 2.339 20 30 FEEDRO Cc1nc(C#N)c(N2CCC(C(=O)N(C)[C@H]3CC[N@H+](C)[C@H](C)C3)CC2)o1 ZINC000276415343 330149735 /nfs/dbraw/zinc/14/97/35/330149735.db2.gz JBHRHMMEJDIWDQ-CJNGLKHVSA-N 1 0 359.474 2.012 20 30 FEEDRO Cc1nc(C#N)c(N2CCC(C(=O)N3CC[C@H]4[C@H](CCC[N@H+]4C)C3)CC2)o1 ZINC000276470117 330155528 /nfs/dbraw/zinc/15/55/28/330155528.db2.gz QFAJOBCYHKUTQY-AEFFLSMTSA-N 1 0 371.485 2.014 20 30 FEEDRO CCCCNC(=O)C1([NH2+]CC(=O)NCc2cccc(C#N)c2)CCCCC1 ZINC000440883586 330278340 /nfs/dbraw/zinc/27/83/40/330278340.db2.gz GQKWZITVSXMZKN-UHFFFAOYSA-N 1 0 370.497 2.383 20 30 FEEDRO C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000805795834 674354572 /nfs/dbraw/zinc/35/45/72/674354572.db2.gz XBDBYQRNYHPZCT-DNVCBOLYSA-N 1 0 351.491 2.400 20 30 FEEDRO CN(CC(=O)NCc1cccnc1)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC000328622254 522405065 /nfs/dbraw/zinc/40/50/65/522405065.db2.gz BARYSYFWJZHXDV-FXAWDEMLSA-N 1 0 370.501 2.287 20 30 FEEDRO C=CCN1C(=O)c2ccc(C(=O)N3CC[C@H]4[C@@H](CCC[N@H+]4C)C3)cc2C1=O ZINC000155399233 545521197 /nfs/dbraw/zinc/52/11/97/545521197.db2.gz VCFAUBLLUKYJFZ-YJBOKZPZSA-N 1 0 367.449 2.025 20 30 FEEDRO C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCCC[C@@H]1CN1CCOCC1 ZINC000157042763 545693541 /nfs/dbraw/zinc/69/35/41/545693541.db2.gz CAURIPBMMCPHKF-QFBILLFUSA-N 1 0 356.470 2.072 20 30 FEEDRO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N(CCO)Cc1cccnc1 ZINC000157044023 545693663 /nfs/dbraw/zinc/69/36/63/545693663.db2.gz LFVSEGPLBQWGOK-CYBMUJFWSA-N 1 0 358.829 2.428 20 30 FEEDRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)c2ccc(C#N)[nH]2)c1 ZINC000158389668 545855226 /nfs/dbraw/zinc/85/52/26/545855226.db2.gz USQIONFRRPQBQU-UHFFFAOYSA-N 1 0 353.426 2.210 20 30 FEEDRO N#Cc1ccc(OC[C@@H](O)CN2CCO[C@]3(CCc4ccccc43)C2)cc1 ZINC000158893777 545903572 /nfs/dbraw/zinc/90/35/72/545903572.db2.gz IHAYAKFLONBRHD-SIKLNZKXSA-N 1 0 364.445 2.472 20 30 FEEDRO COc1ccc(C[NH2+]CCNS(=O)(=O)c2ccc(C)s2)cc1C#N ZINC000159032774 545915414 /nfs/dbraw/zinc/91/54/14/545915414.db2.gz ZYHAYKMJARMCNK-UHFFFAOYSA-N 1 0 365.480 2.005 20 30 FEEDRO N#CCOc1ccc(CC(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000160323213 546030343 /nfs/dbraw/zinc/03/03/43/546030343.db2.gz OWJFDYXCNSBLJH-UXHICEINSA-N 1 0 371.481 2.016 20 30 FEEDRO C#CCOc1ccc(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000160581652 546053374 /nfs/dbraw/zinc/05/33/74/546053374.db2.gz MPYHGJYHLVLCQM-UXHICEINSA-N 1 0 356.466 2.196 20 30 FEEDRO C#CCOc1ccc(C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000160581782 546053729 /nfs/dbraw/zinc/05/37/29/546053729.db2.gz MPYHGJYHLVLCQM-PMACEKPBSA-N 1 0 356.466 2.196 20 30 FEEDRO CC[NH+](CC)[C@@H](CNS(=O)(=O)CC1(C#N)CC1)c1cccc(OC)c1 ZINC000164457099 546151085 /nfs/dbraw/zinc/15/10/85/546151085.db2.gz LHRYGBSYIDXOSP-KRWDZBQOSA-N 1 0 365.499 2.301 20 30 FEEDRO C=CC1CCN(C(=O)C(=O)Nc2ccc(C)cc2OCC[NH+](C)C)CC1 ZINC000164457644 546151101 /nfs/dbraw/zinc/15/11/01/546151101.db2.gz FLZREIYQFBZGNM-UHFFFAOYSA-N 1 0 359.470 2.299 20 30 FEEDRO COc1ccc(NC(=[NH2+])NCc2cccnc2-n2ccnc2)cc1OC ZINC000170912414 546182683 /nfs/dbraw/zinc/18/26/83/546182683.db2.gz CKMHGEWZYBLLQF-UHFFFAOYSA-N 1 0 352.398 2.211 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc3scnc3c2)CC1 ZINC000171621102 546215960 /nfs/dbraw/zinc/21/59/60/546215960.db2.gz SVRXHTKNHCCLMG-UHFFFAOYSA-N 1 0 358.467 2.392 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)NCCNC(=O)CC2CCCCC2)CC1 ZINC000171730676 546221424 /nfs/dbraw/zinc/22/14/24/546221424.db2.gz HKWAXVUUQUXQRN-UHFFFAOYSA-N 1 0 350.507 2.023 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)[C@@H]2CC(=O)N(c3cc(C)ccc3OC)C2)CC1 ZINC000171722013 546221642 /nfs/dbraw/zinc/22/16/42/546221642.db2.gz YNJMVEYZVCVUNQ-MRXNPFEDSA-N 1 0 371.481 2.123 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)CC1 ZINC000171740685 546223324 /nfs/dbraw/zinc/22/33/24/546223324.db2.gz AQWWYNXYKXLHKC-UHFFFAOYSA-N 1 0 369.469 2.256 20 30 FEEDRO C[NH+](C)C1CCN(C(=O)C(=O)Nc2ccccc2SCCC#N)CC1 ZINC000171773625 546225504 /nfs/dbraw/zinc/22/55/04/546225504.db2.gz VTKWSYGSJLUORG-UHFFFAOYSA-N 1 0 360.483 2.183 20 30 FEEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCC[NH+]1CCCC1 ZINC000172303521 546246014 /nfs/dbraw/zinc/24/60/14/546246014.db2.gz YMBFEZMMURCJTQ-CQSZACIVSA-N 1 0 360.483 2.231 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C2CCN(C(=O)c3ccccc3)CC2)CC1 ZINC000173578816 546283454 /nfs/dbraw/zinc/28/34/54/546283454.db2.gz DNAKHJYWQMDOLR-UHFFFAOYSA-N 1 0 355.482 2.305 20 30 FEEDRO CN(CCC#N)c1ccc(C[NH2+]Cc2cccc(OCC(N)=O)c2)cc1 ZINC000174603699 546300184 /nfs/dbraw/zinc/30/01/84/546300184.db2.gz YVSFKFXRNFTOEF-UHFFFAOYSA-N 1 0 352.438 2.190 20 30 FEEDRO CC[NH+]1CCN([C@H]2CCN(C(=O)c3cccc(SCC#N)c3)C2)CC1 ZINC000176045533 546395751 /nfs/dbraw/zinc/39/57/51/546395751.db2.gz FRFXUCOXCNVLEP-KRWDZBQOSA-N 1 0 358.511 2.154 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)NC2CCN(c3cc(C)nc(C)n3)CC2)CC1 ZINC000176159205 546415583 /nfs/dbraw/zinc/41/55/83/546415583.db2.gz OLBKFGGFWMMUCE-UHFFFAOYSA-N 1 0 372.517 2.012 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCOC[C@H]1[C@@H]1CCCO1)C(C)C ZINC000480521728 561211117 /nfs/dbraw/zinc/21/11/17/561211117.db2.gz UQDIILNHRDYMRN-QYZOEREBSA-N 1 0 365.518 2.274 20 30 FEEDRO C[NH+]1CCC([C@@H]2CCN(S(=O)(=O)Cc3ccc(C#N)cc3F)C2)CC1 ZINC000480722861 561215151 /nfs/dbraw/zinc/21/51/51/561215151.db2.gz QKFXSRBLDOKKAU-MRXNPFEDSA-N 1 0 365.474 2.191 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(F)cc2OCCC)CC1 ZINC000177240080 546576723 /nfs/dbraw/zinc/57/67/23/546576723.db2.gz CNZRDBNKKRCGLA-UHFFFAOYSA-N 1 0 363.433 2.320 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccc(CS(C)(=O)=O)c(F)c2)CC1 ZINC000177667260 546662855 /nfs/dbraw/zinc/66/28/55/546662855.db2.gz QYEGWHRERGZQNI-UHFFFAOYSA-N 1 0 369.462 2.142 20 30 FEEDRO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCC[C@H](CNC(=O)c2ccccc2)C1 ZINC000178042747 546728151 /nfs/dbraw/zinc/72/81/51/546728151.db2.gz LYVMEBZUABEZJV-QZTJIDSGSA-N 1 0 370.497 2.137 20 30 FEEDRO C=CCN(Cc1ccccc1)C(=O)C(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000481132557 561225910 /nfs/dbraw/zinc/22/59/10/561225910.db2.gz XKEVSYTVPAMXTM-MSOLQXFVSA-N 1 0 357.498 2.438 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)NCc2cc3c(cc2OC)C[C@@H](C)O3)CC1 ZINC000178903926 546871498 /nfs/dbraw/zinc/87/14/98/546871498.db2.gz OJAHQSMWPSEKOE-CQSZACIVSA-N 1 0 359.470 2.468 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)C(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000481782577 561242114 /nfs/dbraw/zinc/24/21/14/561242114.db2.gz YGLYBVZETQDAIJ-HOTGVXAUSA-N 1 0 363.527 2.499 20 30 FEEDRO C[C@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)c1ccc2c(c1)OCO2 ZINC000179118081 546901277 /nfs/dbraw/zinc/90/12/77/546901277.db2.gz ZPAGGPNWJYUUNF-ZDUSSCGKSA-N 1 0 358.419 2.411 20 30 FEEDRO N#CCCn1cc(C[N@H+]2CCC[C@@H](OCCO)C2)c(-c2ccccc2)n1 ZINC000179571259 546979696 /nfs/dbraw/zinc/97/96/96/546979696.db2.gz MJCCAYVWIAQREY-LJQANCHMSA-N 1 0 354.454 2.437 20 30 FEEDRO C[C@H]([NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1)C1CCOCC1 ZINC000179864052 547022299 /nfs/dbraw/zinc/02/22/99/547022299.db2.gz ICSUNVLCBAJTGH-AWEZNQCLSA-N 1 0 353.426 2.087 20 30 FEEDRO C=C(C)CN(CC)C(=O)C[NH2+][C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000180526911 547123684 /nfs/dbraw/zinc/12/36/84/547123684.db2.gz GIIPAKIPGJGWPE-HNNXBMFYSA-N 1 0 367.515 2.012 20 30 FEEDRO CN(CCC#N)C(=O)CC[N@@H+]1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000181306691 547291175 /nfs/dbraw/zinc/29/11/75/547291175.db2.gz VPCIJSXJJBGSPJ-KRWDZBQOSA-N 1 0 366.469 2.413 20 30 FEEDRO C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000181657238 547354202 /nfs/dbraw/zinc/35/42/02/547354202.db2.gz WHBBXKGKWWFAFV-INIZCTEOSA-N 1 0 372.469 2.154 20 30 FEEDRO CC(C)C[C@H](CNC(=O)C(=O)Nc1ccccc1O[C@H](C)C#N)[NH+](C)C ZINC000181661242 547355887 /nfs/dbraw/zinc/35/58/87/547355887.db2.gz URFUJJMEVJWBFH-HUUCEWRRSA-N 1 0 360.458 2.008 20 30 FEEDRO C=CCCO[C@@H](C)C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000483497620 561278365 /nfs/dbraw/zinc/27/83/65/561278365.db2.gz UVIHFRQYXJOCDZ-DOTOQJQBSA-N 1 0 359.470 2.304 20 30 FEEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)N[C@H]3CCCOCC3)CC2)cc1 ZINC000181800327 547383976 /nfs/dbraw/zinc/38/39/76/547383976.db2.gz RXKDFJCGNDMKKJ-IBGZPJMESA-N 1 0 356.470 2.345 20 30 FEEDRO N#Cc1ccc(N2CCC[C@H]([NH2+][C@@H](CC(N)=O)C3CCCCC3)C2=O)cc1 ZINC000182011395 547421772 /nfs/dbraw/zinc/42/17/72/547421772.db2.gz SDGQXUKESFJOOO-OALUTQOASA-N 1 0 368.481 2.468 20 30 FEEDRO C[C@H]([NH2+]CC(=O)NC1(C#N)CCCCC1)c1ccc(-n2ccnn2)cc1 ZINC000182050051 547429338 /nfs/dbraw/zinc/42/93/38/547429338.db2.gz BENLUHWNVSIVSV-HNNXBMFYSA-N 1 0 352.442 2.261 20 30 FEEDRO Cc1nc(C#N)c(N2CCN(C(=O)C[NH2+][C@@H](C)c3ccc(C)cc3)CC2)o1 ZINC000182351353 547477004 /nfs/dbraw/zinc/47/70/04/547477004.db2.gz KKLBSVDLYVVPSV-HNNXBMFYSA-N 1 0 367.453 2.163 20 30 FEEDRO CCO[C@@H]1COCC[C@H]1[NH2+]CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000484636138 561301675 /nfs/dbraw/zinc/30/16/75/561301675.db2.gz BQKYKUSAKIESQI-IEBWSBKVSA-N 1 0 359.470 2.334 20 30 FEEDRO COCCOc1ccc(C#N)cc1NC(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000184607239 547853481 /nfs/dbraw/zinc/85/34/81/547853481.db2.gz CQPBDNYURQRHMZ-HNNXBMFYSA-N 1 0 360.458 2.437 20 30 FEEDRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000186742281 548184014 /nfs/dbraw/zinc/18/40/14/548184014.db2.gz BTBOJKVYPRWGDQ-AWEZNQCLSA-N 1 0 361.490 2.424 20 30 FEEDRO COc1cc(C#N)ccc1S(=O)(=O)N[C@@H](C)C[NH+]1CCCCCC1 ZINC000186771596 548189387 /nfs/dbraw/zinc/18/93/87/548189387.db2.gz HBILOGZDMGNZLR-AWEZNQCLSA-N 1 0 351.472 2.110 20 30 FEEDRO N#Cc1ccc(C2(C(=O)N3CCC[C@H](C[NH+]4CCOCC4)C3)CC2)cc1 ZINC000186843441 548204482 /nfs/dbraw/zinc/20/44/82/548204482.db2.gz QWWDTHNYHCMAJY-GOSISDBHSA-N 1 0 353.466 2.161 20 30 FEEDRO C#CCOc1ccccc1NC(=O)C(=O)NCCC[N@H+]1CCCC[C@H]1C ZINC000187205515 548253139 /nfs/dbraw/zinc/25/31/39/548253139.db2.gz YJJORVIXJASFAS-MRXNPFEDSA-N 1 0 357.454 2.018 20 30 FEEDRO C#CCOc1ccccc1NC(=O)NCCCC[NH+]1CCN(CC)CC1 ZINC000188030719 548269435 /nfs/dbraw/zinc/26/94/35/548269435.db2.gz AAGPHLJFKMUELH-UHFFFAOYSA-N 1 0 358.486 2.238 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)[C@H](O)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000189278370 548298696 /nfs/dbraw/zinc/29/86/96/548298696.db2.gz WOXYCJBUFKNTLP-MRXNPFEDSA-N 1 0 356.388 2.375 20 30 FEEDRO COc1ccc(O)c(C[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1 ZINC000190838661 548335171 /nfs/dbraw/zinc/33/51/71/548335171.db2.gz IBUSECFLHPBDAA-GOSISDBHSA-N 1 0 351.406 2.163 20 30 FEEDRO O=C1[C@H](N2CCN(CC#Cc3ccccc3)CC2)CCN1c1ccccc1 ZINC000192023824 548356036 /nfs/dbraw/zinc/35/60/36/548356036.db2.gz IZWAGXPMQAEUAC-JOCHJYFZSA-N 1 0 359.473 2.461 20 30 FEEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 ZINC000192108511 548358434 /nfs/dbraw/zinc/35/84/34/548358434.db2.gz FIOAXTQUGUZWTI-WKPIXPDZSA-N 1 0 369.824 2.299 20 30 FEEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 ZINC000192108498 548358789 /nfs/dbraw/zinc/35/87/89/548358789.db2.gz FIOAXTQUGUZWTI-VCTAVGKDSA-N 1 0 369.824 2.299 20 30 FEEDRO C#CCCCC(=O)N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000192099577 548358939 /nfs/dbraw/zinc/35/89/39/548358939.db2.gz AUOMEAHDCJBDDY-LJQANCHMSA-N 1 0 354.498 2.246 20 30 FEEDRO CC(C)OC(=O)[C@@H]1CCCN1[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192677832 548370575 /nfs/dbraw/zinc/37/05/75/548370575.db2.gz JYXKHDCOSATTPP-MSOLQXFVSA-N 1 0 355.438 2.470 20 30 FEEDRO C[C@@H](C(=O)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000486560359 561350802 /nfs/dbraw/zinc/35/08/02/561350802.db2.gz NWCDWHKCJFVKEL-VGSWGCGISA-N 1 0 363.461 2.415 20 30 FEEDRO C=CCc1cc(CNC(=O)C[C@@H]2CSCC[NH2+]2)cc(OC)c1OC ZINC000237342561 548819353 /nfs/dbraw/zinc/81/93/53/548819353.db2.gz IZQLAHDDQFBEEA-OAHLLOKOSA-N 1 0 350.484 2.144 20 30 FEEDRO C[N@H+](CCC(=O)Nc1ccccc1C#N)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000245435893 548918494 /nfs/dbraw/zinc/91/84/94/548918494.db2.gz QROYNVYTOCAAFN-DLBZAZTESA-N 1 0 363.483 2.174 20 30 FEEDRO N#Cc1ccc(NC(=O)CC[N@@H+]2CC[C@H]3[C@@H](CCC(=O)N3C3CC3)C2)cc1 ZINC000245582475 548951415 /nfs/dbraw/zinc/95/14/15/548951415.db2.gz CYUHXLORCFLQCH-LPHOPBHVSA-N 1 0 366.465 2.362 20 30 FEEDRO CN1CC[C@@H](NS(=O)(=O)c2ccc(F)c(C#N)c2)[C@H]1c1ccccc1 ZINC000245677795 548972208 /nfs/dbraw/zinc/97/22/08/548972208.db2.gz UIOMPHOOPRTABH-QZTJIDSGSA-N 1 0 359.426 2.421 20 30 FEEDRO CCC[C@H]1CN([C@@H](C(=O)OC)c2cccc(C#N)c2)CC[N@@H+]1CCOC ZINC000245931864 549021988 /nfs/dbraw/zinc/02/19/88/549021988.db2.gz PMFNESIECFCYMF-RBUKOAKNSA-N 1 0 359.470 2.205 20 30 FEEDRO CC(=O)N1CC[C@H](C[N@@H+](C)[C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1 ZINC000246086342 549048652 /nfs/dbraw/zinc/04/86/52/549048652.db2.gz CFTLPDXSNCUGMX-DOTOQJQBSA-N 1 0 374.460 2.261 20 30 FEEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+](C)C[C@@H]1CCC[C@H]1O ZINC000246247074 549087679 /nfs/dbraw/zinc/08/76/79/549087679.db2.gz GOXIVMWRAMRANO-XYJFISCASA-N 1 0 359.470 2.423 20 30 FEEDRO C=CCNC(=O)C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000248398010 549428154 /nfs/dbraw/zinc/42/81/54/549428154.db2.gz MLTMDDVBNSUBFV-BZUAXINKSA-N 1 0 351.491 2.446 20 30 FEEDRO CN1CC[N@H+](CCCNC(=O)c2ccnc(C#N)c2)[C@@H](c2ccccc2)C1 ZINC000248821052 549506655 /nfs/dbraw/zinc/50/66/55/549506655.db2.gz BQJFMRJHKJHWSY-HXUWFJFHSA-N 1 0 363.465 2.062 20 30 FEEDRO CC[NH+](CC)C[C@H]1CCCC[C@@H]1NS(=O)(=O)c1cnc(C)c(C#N)c1 ZINC000489580504 561414716 /nfs/dbraw/zinc/41/47/16/561414716.db2.gz DGWQEHQSJKPAQX-QAPCUYQASA-N 1 0 364.515 2.441 20 30 FEEDRO C[C@H](O)C[N@@H+]1CCN(Cc2cc(C#N)ccc2Br)C[C@@H]1C ZINC000249053471 549543654 /nfs/dbraw/zinc/54/36/54/549543654.db2.gz ONPKKEJUHBQUJV-STQMWFEESA-N 1 0 352.276 2.208 20 30 FEEDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)C1 ZINC000489763967 561418608 /nfs/dbraw/zinc/41/86/08/561418608.db2.gz VTNMRYINMIVPSE-VQTJNVASSA-N 1 0 369.513 2.258 20 30 FEEDRO C[NH+]=C(NCc1ccc(OC)c(OC)c1)N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000261615299 549735012 /nfs/dbraw/zinc/73/50/12/549735012.db2.gz GQIYCCBGSPXBKS-OLMNPRSZSA-N 1 0 359.470 2.326 20 30 FEEDRO COc1ccc(CNC(=[NH2+])N[C@@H]2[C@H]3CCO[C@H]3C23CCCC3)cc1OC ZINC000261701601 549745187 /nfs/dbraw/zinc/74/51/87/549745187.db2.gz UASYMMJBHOKGLS-ZTFGCOKTSA-N 1 0 359.470 2.456 20 30 FEEDRO CC[S@](=O)[C@H]1CCC[C@@H](NC(NCc2ccc(O)c(F)c2)=[NH+]C)C1 ZINC000261823616 549759779 /nfs/dbraw/zinc/75/97/79/549759779.db2.gz USDKDONVRMMVNC-CDEUHXGRSA-N 1 0 355.479 2.276 20 30 FEEDRO COc1ccc(NC(=[NH2+])NCC(=O)N2CCc3ccccc32)cc1OC ZINC000261972219 549775754 /nfs/dbraw/zinc/77/57/54/549775754.db2.gz DMTZRBKTCPFARK-UHFFFAOYSA-N 1 0 354.410 2.020 20 30 FEEDRO CNC(=O)c1cccc(CNC(=[NH+]C)N(C)Cc2cc(Cl)cn2C)c1 ZINC000262010582 549779815 /nfs/dbraw/zinc/77/98/15/549779815.db2.gz WLSJVNVIIJIULM-UHFFFAOYSA-N 1 0 361.877 2.246 20 30 FEEDRO C[NH+]=C(NCc1cn2c(n1)CCCC2)N1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000262014483 549780488 /nfs/dbraw/zinc/78/04/88/549780488.db2.gz XKYQYUQAVIWUGO-RDJZCZTQSA-N 1 0 355.490 2.074 20 30 FEEDRO Cc1ccc(CNC(NC[C@H]2CCS(=O)(=O)C2)=[NH+]C(C)C)c(C)c1 ZINC000262339479 549812502 /nfs/dbraw/zinc/81/25/02/549812502.db2.gz CIKKZIHSZDGATD-MRXNPFEDSA-N 1 0 351.516 2.182 20 30 FEEDRO CC(C)CNC(=[NH2+])NCc1cccc(N2C(=O)NC3(CCCC3)C2=O)c1 ZINC000262402057 549817225 /nfs/dbraw/zinc/81/72/25/549817225.db2.gz VEEPXLQKNNKOAH-UHFFFAOYSA-N 1 0 357.458 2.116 20 30 FEEDRO CC/[NH+]=C(/NCc1cn2ccsc2n1)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000262443669 549820463 /nfs/dbraw/zinc/82/04/63/549820463.db2.gz IEJPXBGCMBUSAS-CYBMUJFWSA-N 1 0 357.487 2.084 20 30 FEEDRO Cc1cc(C)c(CNC(NC[C@@H]2CCS(=O)(=O)C2)=[NH+]C2CC2)c(C)c1 ZINC000262444465 549820655 /nfs/dbraw/zinc/82/06/55/549820655.db2.gz VCMAPSPJEUQGHU-INIZCTEOSA-N 1 0 363.527 2.244 20 30 FEEDRO C[NH+]=C(NCc1cc(Cl)c2c(c1)OCCO2)N1CC[C@@H](COC)C1 ZINC000262499861 549824827 /nfs/dbraw/zinc/82/48/27/549824827.db2.gz XXDNCIQBSSEDGJ-GFCCVEGCSA-N 1 0 353.850 2.155 20 30 FEEDRO CC[NH+]=C(NC[C@H]1CCc2nnc(C)n2C1)N[C@H]1CCOc2ccccc21 ZINC000262805206 549851660 /nfs/dbraw/zinc/85/16/60/549851660.db2.gz SAICQBTWQNSODA-WBVHZDCISA-N 1 0 368.485 2.228 20 30 FEEDRO C/[NH+]=C(/NCc1cn2ccsc2n1)N1CCN(c2ccccc2)CC1 ZINC000263229934 549887606 /nfs/dbraw/zinc/88/76/06/549887606.db2.gz HVQIRVBTNVYOEM-UHFFFAOYSA-N 1 0 354.483 2.293 20 30 FEEDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000490729036 561437821 /nfs/dbraw/zinc/43/78/21/561437821.db2.gz KLCIDHZEKOQLSP-WBVHZDCISA-N 1 0 359.474 2.236 20 30 FEEDRO CCOC(=O)N1CCC(NC(=[NH2+])NCCc2c(F)cccc2F)CC1 ZINC000264070007 549975509 /nfs/dbraw/zinc/97/55/09/549975509.db2.gz CVKOHMYGPQTMJE-UHFFFAOYSA-N 1 0 354.401 2.033 20 30 FEEDRO COc1ccc(CCNC(=[NH2+])NC[C@H](O)c2ccccc2F)cc1OC ZINC000264081588 549976701 /nfs/dbraw/zinc/97/67/01/549976701.db2.gz HQLDELIEMGCCOL-INIZCTEOSA-N 1 0 361.417 2.023 20 30 FEEDRO COc1ccccc1CNC(=[NH2+])NCCc1ccc(OC)c(OC)c1OC ZINC000264105440 549979478 /nfs/dbraw/zinc/97/94/78/549979478.db2.gz PGNQTWXKOQZTHI-UHFFFAOYSA-N 1 0 373.453 2.368 20 30 FEEDRO COc1ccc(NC(=[NH2+])NCC(C)(C)N2C[C@@H](C)O[C@H](C)C2)cc1OC ZINC000264124002 549981793 /nfs/dbraw/zinc/98/17/93/549981793.db2.gz RSAPXKKPSJDZJB-ZIAGYGMSSA-N 1 0 364.490 2.318 20 30 FEEDRO CCOC(=O)N1CCC(NC(=[NH2+])NCC2(c3ccccc3OC)CC2)CC1 ZINC000264241887 549993277 /nfs/dbraw/zinc/99/32/77/549993277.db2.gz FDTMPWDNNDABOT-UHFFFAOYSA-N 1 0 374.485 2.252 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N[C@H]2CCN(c3cccc(OC)c3)C2)CC1 ZINC000264343810 549994449 /nfs/dbraw/zinc/99/44/49/549994449.db2.gz JGNTZHJKZOFYQR-KRWDZBQOSA-N 1 0 358.486 2.224 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc3c(c2)OC(C)(C)O3)CC1 ZINC000264367025 549994619 /nfs/dbraw/zinc/99/46/19/549994619.db2.gz IOQWEFZCNBUFCR-UHFFFAOYSA-N 1 0 373.453 2.289 20 30 FEEDRO C=C(C)C[NH+]1CCC(Nc2ccc(S(=O)(=O)N3CCCC3)cn2)CC1 ZINC000264522785 549997269 /nfs/dbraw/zinc/99/72/69/549997269.db2.gz XHRFZVSVBVMLKN-UHFFFAOYSA-N 1 0 364.515 2.319 20 30 FEEDRO C=CCOc1cccc(NC(=O)C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)c1 ZINC000264510754 549997474 /nfs/dbraw/zinc/99/74/74/549997474.db2.gz SYYVOBCFVZAAFG-KRWDZBQOSA-N 1 0 357.454 2.277 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N[C@H](C)c1nnc2n1CCC2)C(C)C ZINC000264534294 549997591 /nfs/dbraw/zinc/99/75/91/549997591.db2.gz LUCVBYHZNZLRBX-CVEARBPZSA-N 1 0 360.506 2.283 20 30 FEEDRO C=CCc1cc(C(=O)NCC2([NH+](C)C)CCOCC2)cc(OC)c1OC ZINC000265029873 550004839 /nfs/dbraw/zinc/00/48/39/550004839.db2.gz NZMVYSPEGAKUPZ-UHFFFAOYSA-N 1 0 362.470 2.273 20 30 FEEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCC[N@H+](C)C1CC1 ZINC000265347367 550008841 /nfs/dbraw/zinc/00/88/41/550008841.db2.gz APPHSBUTOQMHMH-ZDUSSCGKSA-N 1 0 360.483 2.230 20 30 FEEDRO COCC[N@@H+]1CC[C@@H](NC(=O)Nc2cccc(C#Cc3ccccn3)c2)C1 ZINC000265469914 550010301 /nfs/dbraw/zinc/01/03/01/550010301.db2.gz HUWORRDDPCOQIT-HXUWFJFHSA-N 1 0 364.449 2.324 20 30 FEEDRO N#CC1CCN(C(=O)C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)CC1 ZINC000267843560 550034756 /nfs/dbraw/zinc/03/47/56/550034756.db2.gz VZUKPAJYBSMJDJ-UHFFFAOYSA-N 1 0 368.481 2.416 20 30 FEEDRO COC[C@@](C)(CCO)[NH2+]CC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000267950957 550036063 /nfs/dbraw/zinc/03/60/63/550036063.db2.gz QEMJIEBZMUUULY-RDTXWAMCSA-N 1 0 365.499 2.396 20 30 FEEDRO COc1ccc(CNC(=[NH2+])NCc2nnc(C(C)(C)C)s2)cc1OC ZINC000268241083 550038490 /nfs/dbraw/zinc/03/84/90/550038490.db2.gz XHHICTPKYCMNLC-UHFFFAOYSA-N 1 0 363.487 2.457 20 30 FEEDRO NC(=O)[C@@H]1CC[C@@H](CNC(=[NH2+])Nc2cccc(Oc3ccccc3)c2)O1 ZINC000268454172 550068580 /nfs/dbraw/zinc/06/85/80/550068580.db2.gz WDOSYHXXYDEHRO-IRXDYDNUSA-N 1 0 354.410 2.238 20 30 FEEDRO C=CCOc1ccccc1CNC(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000269035243 550146819 /nfs/dbraw/zinc/14/68/19/550146819.db2.gz UNPJNRFLDBYWAC-RBUKOAKNSA-N 1 0 373.497 2.428 20 30 FEEDRO CC(C)[NH+]1CCC(N2CCN(C(=O)c3ccccc3OCC#N)CC2)CC1 ZINC000269510556 550203020 /nfs/dbraw/zinc/20/30/20/550203020.db2.gz OPJYFBFKADDQTC-UHFFFAOYSA-N 1 0 370.497 2.220 20 30 FEEDRO N#Cc1c(N)n[nH]c1CCCNC(=[NH2+])Nc1ccccc1OC(F)(F)F ZINC000269603791 550210229 /nfs/dbraw/zinc/21/02/29/550210229.db2.gz IGADCCKGKRJKNY-UHFFFAOYSA-N 1 0 367.335 2.122 20 30 FEEDRO N#Cc1ccc(NC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(F)c1 ZINC000269611851 550210380 /nfs/dbraw/zinc/21/03/80/550210380.db2.gz YQOLJEHFMZWQPD-KSSFIOAISA-N 1 0 370.428 2.111 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC(Cn2ccnn2)CC1)C(C)C ZINC000269961387 550239861 /nfs/dbraw/zinc/23/98/61/550239861.db2.gz HPUDNODHGAKDNY-LJQANCHMSA-N 1 0 374.533 2.398 20 30 FEEDRO C#CC[C@H](NC(=O)CC[NH+]1CCN(c2ccccn2)CC1)c1ccccc1 ZINC000270417798 550270754 /nfs/dbraw/zinc/27/07/54/550270754.db2.gz FSQGKRKLAQLIPF-FQEVSTJZSA-N 1 0 362.477 2.475 20 30 FEEDRO CC(C)N1CC[NH+](C2CCN(c3ccc(C#N)cc3[N+](=O)[O-])CC2)CC1 ZINC000270432822 550272182 /nfs/dbraw/zinc/27/21/82/550272182.db2.gz BZPNPBJPMCHJBL-UHFFFAOYSA-N 1 0 357.458 2.461 20 30 FEEDRO C[C@@H](NC(=O)NCc1ccnc(OCC[NH+](C)C)c1)c1ccc(C#N)cc1 ZINC000270578635 550285760 /nfs/dbraw/zinc/28/57/60/550285760.db2.gz PHYUNKDHYWKKKF-OAHLLOKOSA-N 1 0 367.453 2.454 20 30 FEEDRO C=CCc1ccc(OC[C@@H](O)C[N@H+](C)CCCn2ccnc2)c(OC)c1 ZINC000271615477 550389894 /nfs/dbraw/zinc/38/98/94/550389894.db2.gz DBRHFMPNHLLDGR-SFHVURJKSA-N 1 0 359.470 2.382 20 30 FEEDRO C=CCN(CC=C)C(=O)C[NH2+][C@H](C)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000271745148 550398882 /nfs/dbraw/zinc/39/88/82/550398882.db2.gz JJXMWCMGVUKNOB-MRXNPFEDSA-N 1 0 371.481 2.195 20 30 FEEDRO C[C@H]([NH2+]C[C@@](O)(c1nccn1C)C(F)(F)F)c1ccc(OCC#N)cc1 ZINC000272144842 550425423 /nfs/dbraw/zinc/42/54/23/550425423.db2.gz UCHAALCRNWGCOR-BLLLJJGKSA-N 1 0 368.359 2.423 20 30 FEEDRO C[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)N1CCC(C)(C#N)CC1 ZINC000272619715 550461230 /nfs/dbraw/zinc/46/12/30/550461230.db2.gz UORPPRUWURCOJX-HKUYNNGSSA-N 1 0 354.498 2.391 20 30 FEEDRO C=CCCOCCNC(=O)NCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000272931500 550477105 /nfs/dbraw/zinc/47/71/05/550477105.db2.gz CHNJKGNPYLDVQL-IBGZPJMESA-N 1 0 361.486 2.035 20 30 FEEDRO C[C@@H](NCC(=O)NCc1ccc(C#N)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000273314705 550494176 /nfs/dbraw/zinc/49/41/76/550494176.db2.gz VGUOPGHVZMPHJC-VQIMIIECSA-N 1 0 354.498 2.417 20 30 FEEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCC(=O)N[C@](C)(C#N)C1CC1 ZINC000274838554 550558464 /nfs/dbraw/zinc/55/84/64/550558464.db2.gz NWUDVWGYZKWGMH-LKUPVBHCSA-N 1 0 354.498 2.295 20 30 FEEDRO Cc1ccsc1[C@H](CO)[NH2+]CCS(=O)(=O)c1cccc(C#N)c1 ZINC000494662065 561473637 /nfs/dbraw/zinc/47/36/37/561473637.db2.gz ADVFNCSJCHZLFN-HNNXBMFYSA-N 1 0 350.465 2.025 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)[C@@H](O)Cc1cccc(C(F)(F)F)c1 ZINC000275158726 550570872 /nfs/dbraw/zinc/57/08/72/550570872.db2.gz RABLTDXHSNPDNB-INIZCTEOSA-N 1 0 371.403 2.303 20 30 FEEDRO C=CC[C@@H](C)[C@H](C)[NH2+]C[C@@H]1CC(=O)N(CCOC)[C@H]1c1cnn(C)c1C ZINC000275630220 550573209 /nfs/dbraw/zinc/57/32/09/550573209.db2.gz SFSFSFIUTCMLRW-TXDAXLQXSA-N 1 0 362.518 2.455 20 30 FEEDRO COc1ccc2c(c1)[C@@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)CCS2 ZINC000276138318 550576958 /nfs/dbraw/zinc/57/69/58/550576958.db2.gz MYIPNSPRALGVPK-DNZUHHBVSA-N 1 0 359.451 2.348 20 30 FEEDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(S(=O)(=O)c2cccnc2C#N)C1 ZINC000277010382 550621587 /nfs/dbraw/zinc/62/15/87/550621587.db2.gz LIVGTSLTGYIPBS-CVEARBPZSA-N 1 0 362.499 2.228 20 30 FEEDRO Cn1cnc2cc(C[NH2+][C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)ccc21 ZINC000277173054 550639897 /nfs/dbraw/zinc/63/98/97/550639897.db2.gz IBHQXDJUSPIGER-GOSISDBHSA-N 1 0 359.433 2.336 20 30 FEEDRO Cn1cc([C@@H]2C[N@H+](CC#Cc3ccc(C(F)(F)F)cc3)C[C@H]2CO)cn1 ZINC000277746816 550709426 /nfs/dbraw/zinc/70/94/26/550709426.db2.gz LEDAUPQRTXKRBA-WMZOPIPTSA-N 1 0 363.383 2.498 20 30 FEEDRO N#Cc1ccc(Cl)c(NC(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)c1 ZINC000278260693 550766542 /nfs/dbraw/zinc/76/65/42/550766542.db2.gz WLAMZJSUNHPFHV-UHFFFAOYSA-N 1 0 360.845 2.141 20 30 FEEDRO CC(C)(C#N)c1ccc(NC(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)cc1 ZINC000278289506 550769353 /nfs/dbraw/zinc/76/93/53/550769353.db2.gz ZTRDJYUDIFHHMO-UHFFFAOYSA-N 1 0 368.481 2.417 20 30 FEEDRO CC(C)Oc1ccc(NC(=O)N2CC[N@@H+](C[C@H](C)O)C[C@H]2C)cc1C#N ZINC000278562766 550799405 /nfs/dbraw/zinc/79/94/05/550799405.db2.gz MRWFDTYFQXWKIF-CABCVRRESA-N 1 0 360.458 2.264 20 30 FEEDRO CC(C)Oc1ccc(NC(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@H]2C)cc1C#N ZINC000278562774 550799418 /nfs/dbraw/zinc/79/94/18/550799418.db2.gz MRWFDTYFQXWKIF-HUUCEWRRSA-N 1 0 360.458 2.264 20 30 FEEDRO CC(C)(C)[S@](=O)CC[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000278570216 550800157 /nfs/dbraw/zinc/80/01/57/550800157.db2.gz DNOYOBCVRHSYIW-RUZDIDTESA-N 1 0 359.499 2.496 20 30 FEEDRO CCn1nccc1C1CC[NH+](C[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC000278763466 550819428 /nfs/dbraw/zinc/81/94/28/550819428.db2.gz BSCZGJUQLCTTMG-GOSISDBHSA-N 1 0 354.454 2.394 20 30 FEEDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(C)(C)Oc1ccc(C#N)cc1 ZINC000278901360 550834065 /nfs/dbraw/zinc/83/40/65/550834065.db2.gz RRJDKRZDFWZPJT-INIZCTEOSA-N 1 0 371.481 2.427 20 30 FEEDRO COC[C@H]([NH2+]CC(=O)N(CCC#N)c1cc(C)cc(C)c1)[C@@H]1CCCO1 ZINC000279108161 550855001 /nfs/dbraw/zinc/85/50/01/550855001.db2.gz RZEPUJFFPLMEOY-OALUTQOASA-N 1 0 359.470 2.334 20 30 FEEDRO C[N@@H+]1CC[C@H]2CCN(Cc3cn(CCC#N)nc3-c3ccncc3)[C@@H]2C1 ZINC000279411102 550887150 /nfs/dbraw/zinc/88/71/50/550887150.db2.gz NVHOSNFTLMBHIF-QFBILLFUSA-N 1 0 350.470 2.385 20 30 FEEDRO CC(=O)N1CCC[C@@H](CNC(=[NH2+])NCc2cccc(C(F)(F)F)c2)C1 ZINC000279933803 550944501 /nfs/dbraw/zinc/94/45/01/550944501.db2.gz GKUBXSFVWPTNAQ-AWEZNQCLSA-N 1 0 356.392 2.368 20 30 FEEDRO CC[NH+](CC)CC[C@@H](CO)NC(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000495604673 561489772 /nfs/dbraw/zinc/48/97/72/561489772.db2.gz CCFIXYRFBGTLBB-ZDUSSCGKSA-N 1 0 370.400 2.374 20 30 FEEDRO Cc1oc(C#N)cc1C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000280484210 550999021 /nfs/dbraw/zinc/99/90/21/550999021.db2.gz ATKLGHVQYFECPO-UHFFFAOYSA-N 1 0 352.438 2.402 20 30 FEEDRO Cc1nc(C#N)c(N2CCC(C(=O)N3CC[C@@H]([NH+]4CCCCC4)C3)CC2)o1 ZINC000280515909 551002714 /nfs/dbraw/zinc/00/27/14/551002714.db2.gz MHXCYPKEFIBFKU-QGZVFWFLSA-N 1 0 371.485 2.158 20 30 FEEDRO N#Cc1ccc(C[C@@H](C#N)C(=O)NC2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000280751621 551028204 /nfs/dbraw/zinc/02/82/04/551028204.db2.gz HXOIDUNQRWFOQA-IBGZPJMESA-N 1 0 373.460 2.416 20 30 FEEDRO C=CCN1CC[C@H](N(C)C(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1=O ZINC000281122910 551065982 /nfs/dbraw/zinc/06/59/82/551065982.db2.gz BKVCOPAHMUZKNA-OALUTQOASA-N 1 0 355.482 2.144 20 30 FEEDRO COc1cc(C[NH2+][C@@H](C)CN2CCN(c3ccccn3)CC2)ccc1C#N ZINC000281644263 551124921 /nfs/dbraw/zinc/12/49/21/551124921.db2.gz JEMSCCLUJDIHFH-KRWDZBQOSA-N 1 0 365.481 2.262 20 30 FEEDRO N#CC1(CCC[NH+]2CCN(c3ccc(C(N)=O)cc3)CC2)CCOCC1 ZINC000281878529 551152168 /nfs/dbraw/zinc/15/21/68/551152168.db2.gz CTCVADFDEYDIRF-UHFFFAOYSA-N 1 0 356.470 2.008 20 30 FEEDRO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H](CNC(=O)Nc3cccc(F)c3)C2)C1=O ZINC000282070558 551176772 /nfs/dbraw/zinc/17/67/72/551176772.db2.gz SXAYOUWRGBOKDZ-MAUKXSAKSA-N 1 0 374.460 2.446 20 30 FEEDRO C=CCN(CCc1ccco1)C(=O)NC[C@@H](C)C[NH+]1CCN(CC)CC1 ZINC000497511794 561502686 /nfs/dbraw/zinc/50/26/86/561502686.db2.gz YPWZQWHFUGSMPO-GOSISDBHSA-N 1 0 362.518 2.293 20 30 FEEDRO C=CCn1c(-c2cccc(C)n2)nnc1N1CC[NH+](CCOC(C)C)CC1 ZINC000282447997 551230665 /nfs/dbraw/zinc/23/06/65/551230665.db2.gz ADAXHAKHZTUGDE-UHFFFAOYSA-N 1 0 370.501 2.382 20 30 FEEDRO CC[NH+](CC)Cc1ccc(CNS(=O)(=O)N(C)[C@@H](C)CC#N)cc1 ZINC000282929800 551286422 /nfs/dbraw/zinc/28/64/22/551286422.db2.gz HXWLLWXTPWNJFE-HNNXBMFYSA-N 1 0 352.504 2.097 20 30 FEEDRO C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000283126118 551315654 /nfs/dbraw/zinc/31/56/54/551315654.db2.gz CEUHVEZLWCKVLE-QGZVFWFLSA-N 1 0 372.517 2.155 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H](C)c2cc(C)ccc2OC)CC1 ZINC000283556327 551387127 /nfs/dbraw/zinc/38/71/27/551387127.db2.gz QWZWUXXSERWESR-MRXNPFEDSA-N 1 0 373.497 2.338 20 30 FEEDRO CCOC(=O)CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)c1sccc1C#N ZINC000497987981 561513315 /nfs/dbraw/zinc/51/33/15/561513315.db2.gz FEIILQPQUYZQAK-OAHLLOKOSA-N 1 0 363.483 2.499 20 30 FEEDRO C[C@H](NC(=O)C(=O)NCCCC[NH+]1CCC(C)CC1)c1ccc(C#N)cc1 ZINC000284154887 551494251 /nfs/dbraw/zinc/49/42/51/551494251.db2.gz XNSPSNZENVVYSC-KRWDZBQOSA-N 1 0 370.497 2.364 20 30 FEEDRO C=CCC[C@@H](NC(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccccc1 ZINC000285332249 551739783 /nfs/dbraw/zinc/73/97/83/551739783.db2.gz UJOBTSDOPLGXDD-VQIMIIECSA-N 1 0 355.482 2.411 20 30 FEEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH2+][C@@H]1CCC[C@@H]1CCO ZINC000285585267 551778788 /nfs/dbraw/zinc/77/87/88/551778788.db2.gz BEMOAPPIRYHCST-GVDBMIGSSA-N 1 0 359.470 2.471 20 30 FEEDRO O=C(C[NH2+][C@H]1CCC[C@@H]1CCO)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000285591837 551779725 /nfs/dbraw/zinc/77/97/25/551779725.db2.gz BMYJNRIPRPEZIB-WBVHZDCISA-N 1 0 368.399 2.314 20 30 FEEDRO C[C@@H]1CCC[N@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)[C@H]1CO ZINC000499065276 561542369 /nfs/dbraw/zinc/54/23/69/561542369.db2.gz QLUOMZJRQDSMJM-PBHICJAKSA-N 1 0 368.399 2.266 20 30 FEEDRO CN(CCC#N)C(=O)CC[NH2+][C@@](C)(CO)c1ccc(Br)cc1 ZINC000286328814 551874786 /nfs/dbraw/zinc/87/47/86/551874786.db2.gz DQLKBTMZMRIXEO-INIZCTEOSA-N 1 0 368.275 2.008 20 30 FEEDRO N#Cc1ccc(N2CC[C@@H](C(=O)NC3CC[NH+](C4CC4)CC3)C2)c(F)c1 ZINC000286381478 551881334 /nfs/dbraw/zinc/88/13/34/551881334.db2.gz QHGFPCGFFOTBMV-OAHLLOKOSA-N 1 0 356.445 2.267 20 30 FEEDRO N#CCCN(C(=O)CN1CC[C@@H](C(F)(F)F)[C@@H](CO)C1)c1ccccc1 ZINC000286403389 551883659 /nfs/dbraw/zinc/88/36/59/551883659.db2.gz HOESWLRHERQJFQ-GDBMZVCRSA-N 1 0 369.387 2.426 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC2CC(C)(c3ccccc3)C2)CC1 ZINC000286410152 551884695 /nfs/dbraw/zinc/88/46/95/551884695.db2.gz FDVHXOTYLJHNQY-UHFFFAOYSA-N 1 0 369.509 2.380 20 30 FEEDRO CNC(=O)CC[C@@H]1CCCC[N@@H+]1[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000286471929 551889784 /nfs/dbraw/zinc/88/97/84/551889784.db2.gz NTBXMSMHOUAZQA-PKOBYXMFSA-N 1 0 368.481 2.434 20 30 FEEDRO N#Cc1c(N2CCC[C@H](C[NH+]3CCOCC3)C2)nc2cc(Cl)ccn12 ZINC000286477316 551890693 /nfs/dbraw/zinc/89/06/93/551890693.db2.gz OVDQZSXBFRIHKS-CQSZACIVSA-N 1 0 359.861 2.408 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(CC)[C@@H](C)c2cccnc2)CC1 ZINC000286483161 551891148 /nfs/dbraw/zinc/89/11/48/551891148.db2.gz JJEDOXQKHSLIRF-INIZCTEOSA-N 1 0 358.486 2.148 20 30 FEEDRO COc1cc(OC)c2ncc(C#N)c(NCCC[NH+]3CCC(O)CC3)c2c1 ZINC000286518101 551895272 /nfs/dbraw/zinc/89/52/72/551895272.db2.gz XGKQJJVPZCFTQS-UHFFFAOYSA-N 1 0 370.453 2.382 20 30 FEEDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000286541172 551897712 /nfs/dbraw/zinc/89/77/12/551897712.db2.gz CDJHOUVCCCTIJY-IUODEOHRSA-N 1 0 353.875 2.459 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(C)[C@H]2CCc3ccccc32)CC1 ZINC000286808979 551928115 /nfs/dbraw/zinc/92/81/15/551928115.db2.gz VMJBNSJOIKHPKF-IBGZPJMESA-N 1 0 355.482 2.289 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)o1 ZINC000286879384 551936093 /nfs/dbraw/zinc/93/60/93/551936093.db2.gz MTVJUWTWOFDQCQ-ZDUSSCGKSA-N 1 0 365.480 2.403 20 30 FEEDRO COc1ccc(CN2CC[C@H]([NH2+][C@@H]3CCC[C@@H](C#N)C3)C2=O)c(OC)c1 ZINC000287155827 551970213 /nfs/dbraw/zinc/97/02/13/551970213.db2.gz SWQGQGNOWAVXKF-KYJSFNMBSA-N 1 0 357.454 2.477 20 30 FEEDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)C(=O)Nc1ccc(Cl)c(C#N)c1 ZINC000287996759 552072809 /nfs/dbraw/zinc/07/28/09/552072809.db2.gz GNAVWLCJNCILEP-SWLSCSKDSA-N 1 0 360.845 2.235 20 30 FEEDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)C(=O)Nc1ccc(Cl)c(C#N)c1 ZINC000287996728 552072812 /nfs/dbraw/zinc/07/28/12/552072812.db2.gz GNAVWLCJNCILEP-DOMZBBRYSA-N 1 0 360.845 2.235 20 30 FEEDRO C#CC[C@@H](Cc1ccccc1)NC(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000288134325 552097253 /nfs/dbraw/zinc/09/72/53/552097253.db2.gz LAZMPRMPETVTKK-FQEVSTJZSA-N 1 0 370.541 2.288 20 30 FEEDRO C=CCOc1ccc(CNC(=O)N2CC[C@@H](N3CC[NH+](CC)CC3)C2)cc1 ZINC000288370489 552142206 /nfs/dbraw/zinc/14/22/06/552142206.db2.gz JEBUAMSYHKKVQM-LJQANCHMSA-N 1 0 372.513 2.173 20 30 FEEDRO CN(CCC[N@H+](C)Cc1ccco1)C(=O)C(=O)Nc1cccc(C#N)c1 ZINC000288584102 552179514 /nfs/dbraw/zinc/17/95/14/552179514.db2.gz XGLZOLHNESKBOR-UHFFFAOYSA-N 1 0 354.410 2.070 20 30 FEEDRO [NH2+]=C(NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)Nc1cc(F)ccc1F ZINC000288666474 552194819 /nfs/dbraw/zinc/19/48/19/552194819.db2.gz HCPNVFPJFGYYCL-MRXNPFEDSA-N 1 0 360.408 2.111 20 30 FEEDRO C[C@@H]1CC[C@@H](CNC(=O)C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)C1 ZINC000499916503 561561604 /nfs/dbraw/zinc/56/16/04/561561604.db2.gz RVSAGCLOZBCJGN-VQIMIIECSA-N 1 0 370.497 2.001 20 30 FEEDRO C=CCN1CC[C@@H]([N@H+](C)C[C@H](O)COc2cccc3ccccc32)C1=O ZINC000499940387 561562503 /nfs/dbraw/zinc/56/25/03/561562503.db2.gz RPFASAAXHKXRIH-PKOBYXMFSA-N 1 0 354.450 2.298 20 30 FEEDRO C=CCN(CC=C)C(=O)C[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C ZINC000289427597 552320022 /nfs/dbraw/zinc/32/00/22/552320022.db2.gz VGQYTCOYEKRVLC-HOTGVXAUSA-N 1 0 351.491 2.422 20 30 FEEDRO C#CCCOc1ccc(C[NH+]2CCC(C(=O)N3CCN(C)CC3)CC2)cc1 ZINC000289829223 552385283 /nfs/dbraw/zinc/38/52/83/552385283.db2.gz OPLGATQDCXXAJR-UHFFFAOYSA-N 1 0 369.509 2.075 20 30 FEEDRO CN(C)C(=O)c1ccc(CN(CC[NH+](C)C)Cc2ccc(C#N)cc2)[nH]1 ZINC000289944940 552403702 /nfs/dbraw/zinc/40/37/02/552403702.db2.gz XJEZLUJMWSOFHA-UHFFFAOYSA-N 1 0 353.470 2.152 20 30 FEEDRO C[C@@H](CNS(=O)(=O)Cc1cc(C#N)ccc1F)[N@@H+]1CCCC[C@@H]1C ZINC000500806195 561583148 /nfs/dbraw/zinc/58/31/48/561583148.db2.gz FNFWWENIXIFLTH-KBPBESRZSA-N 1 0 353.463 2.380 20 30 FEEDRO CC1CC[NH+](CCCCNC(=O)C(=O)Nc2ccc(C#N)c(F)c2)CC1 ZINC000290187235 552440297 /nfs/dbraw/zinc/44/02/97/552440297.db2.gz GPSWKYJVOVHMFR-UHFFFAOYSA-N 1 0 360.433 2.264 20 30 FEEDRO C[C@H]1CCC[N@H+](CCCCNC(=O)C(=O)Nc2ccc(C#N)c(F)c2)C1 ZINC000290325581 552460713 /nfs/dbraw/zinc/46/07/13/552460713.db2.gz WATZJWSWEJMKKQ-AWEZNQCLSA-N 1 0 360.433 2.264 20 30 FEEDRO C=CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[N@@H+](CC)CC1 ZINC000290384193 552470608 /nfs/dbraw/zinc/47/06/08/552470608.db2.gz MZIKIDJHTWYVJN-UHFFFAOYSA-N 1 0 366.469 2.447 20 30 FEEDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)Cc2cc(C#N)ccc2F)C[C@@H]1C ZINC000500934567 561586068 /nfs/dbraw/zinc/58/60/68/561586068.db2.gz JKSAUIKOKHFJDL-BBRMVZONSA-N 1 0 353.463 2.332 20 30 FEEDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)Cc2cc(C#N)ccc2F)C[C@H]1C ZINC000500934570 561586109 /nfs/dbraw/zinc/58/61/09/561586109.db2.gz JKSAUIKOKHFJDL-CZUORRHYSA-N 1 0 353.463 2.332 20 30 FEEDRO C#Cc1cc(F)c(NC(=O)C(=O)N[C@@H](C)C[N@@H+](C)CCCC)c(F)c1 ZINC000290695399 552521707 /nfs/dbraw/zinc/52/17/07/552521707.db2.gz CXPCYELQDTVBSH-LBPRGKRZSA-N 1 0 351.397 2.121 20 30 FEEDRO N#Cc1ccc(NC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1F ZINC000290764522 552534071 /nfs/dbraw/zinc/53/40/71/552534071.db2.gz KMLMKPUREOUEJU-KDOFPFPSSA-N 1 0 370.428 2.111 20 30 FEEDRO CC[NH+](CC)C[C@@H](C)NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 ZINC000501226473 561592805 /nfs/dbraw/zinc/59/28/05/561592805.db2.gz JUCOQDUJCIJNAD-OAHLLOKOSA-N 1 0 365.499 2.224 20 30 FEEDRO C[C@H](NC(=O)C(=O)Nc1ccc(C#N)c(F)c1)[C@H](c1ccccc1)[NH+](C)C ZINC000291247213 552605731 /nfs/dbraw/zinc/60/57/31/552605731.db2.gz JRDVGEPCOIGATQ-SCLBCKFNSA-N 1 0 368.412 2.443 20 30 FEEDRO CC(C)[NH+](CCNC(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1)C(C)C ZINC000291732903 552655865 /nfs/dbraw/zinc/65/58/65/552655865.db2.gz RPNYVJKUCAWLBT-QGZVFWFLSA-N 1 0 359.474 2.235 20 30 FEEDRO CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCC([C@@H](O)c2ccc(OC)cc2)CC1 ZINC000291863648 552669648 /nfs/dbraw/zinc/66/96/48/552669648.db2.gz PKYFBQFDINJZRJ-KKSFZXQISA-N 1 0 373.497 2.449 20 30 FEEDRO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292074045 552691028 /nfs/dbraw/zinc/69/10/28/552691028.db2.gz DZGWVRHLKYBTAB-OXJNMPFZSA-N 1 0 358.461 2.488 20 30 FEEDRO COc1cc(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc2c1OCCO2 ZINC000292751165 552755254 /nfs/dbraw/zinc/75/52/54/552755254.db2.gz ILLQVUGNDYUNNE-MRXNPFEDSA-N 1 0 367.405 2.386 20 30 FEEDRO N#Cc1ccsc1NC(=O)C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000292960594 552775008 /nfs/dbraw/zinc/77/50/08/552775008.db2.gz AIKPRVUBQOTJSK-INIZCTEOSA-N 1 0 368.462 2.339 20 30 FEEDRO CS[C@H]1CN(C(=O)c2cnc(C(F)(F)F)c(C#N)c2)C[C@@H]1[NH+](C)C ZINC000293317566 552810834 /nfs/dbraw/zinc/81/08/34/552810834.db2.gz FJAWZEWIYBRSKW-RYUDHWBXSA-N 1 0 358.389 2.090 20 30 FEEDRO C=CCC(C)(C)CNC(=O)C(=O)Nc1ccnn1C1CC[NH+](CC)CC1 ZINC000293359365 552815182 /nfs/dbraw/zinc/81/51/82/552815182.db2.gz LHGBVTQOEHNTEV-UHFFFAOYSA-N 1 0 361.490 2.197 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(-c2ccco2)cc1F ZINC000293481703 552828173 /nfs/dbraw/zinc/82/81/73/552828173.db2.gz VPQOCNAISCFZFU-UHFFFAOYSA-N 1 0 357.385 2.096 20 30 FEEDRO COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1CCOCCC#N ZINC000293501051 552830037 /nfs/dbraw/zinc/83/00/37/552830037.db2.gz NQANFSZLOCJNFI-MRXNPFEDSA-N 1 0 362.426 2.096 20 30 FEEDRO C=CCCCS(=O)(=O)N(C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000293555536 552835156 /nfs/dbraw/zinc/83/51/56/552835156.db2.gz VPMUTKISJFBCSG-UHFFFAOYSA-N 1 0 351.516 2.316 20 30 FEEDRO C[C@@H](NC(=O)C(=O)Nc1sccc1C#N)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000293903305 552866497 /nfs/dbraw/zinc/86/64/97/552866497.db2.gz WNMCOCTVIUJLLN-OCCSQVGLSA-N 1 0 360.483 2.327 20 30 FEEDRO C#CC[N@H+](C)CCCNS(=O)(=O)c1ccc(NC(C)=O)c2ccccc21 ZINC000293902294 552866596 /nfs/dbraw/zinc/86/65/96/552866596.db2.gz WCFHLJQOMRETGM-UHFFFAOYSA-N 1 0 373.478 2.032 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)c1cccc(C)c1NC(=O)c1ccncc1 ZINC000294068686 552879373 /nfs/dbraw/zinc/87/93/73/552879373.db2.gz VSIBXQXPQOBVQA-UHFFFAOYSA-N 1 0 364.449 2.327 20 30 FEEDRO CCN1CC[NH+](C[C@@H](C)CNc2ncc(Br)cc2C#N)CC1 ZINC000294800536 552935279 /nfs/dbraw/zinc/93/52/79/552935279.db2.gz CEUSUBYVRPCUFN-ZDUSSCGKSA-N 1 0 366.307 2.401 20 30 FEEDRO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1C[C@@H](c2cnn(C)c2)C2(C1)CCOCC2 ZINC000295133291 552962119 /nfs/dbraw/zinc/96/21/19/552962119.db2.gz LHKGWPKEMRIQMG-MJGOQNOKSA-N 1 0 372.513 2.205 20 30 FEEDRO CC1(C)OCC[C@@H]1[NH2+]CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000295133673 552962216 /nfs/dbraw/zinc/96/22/16/552962216.db2.gz BEFCLOLHIAYVTK-HNNXBMFYSA-N 1 0 354.372 2.330 20 30 FEEDRO CN(CC[C@H]1CCCC[N@@H+]1C)S(=O)(=O)Cc1ccc(F)cc1C#N ZINC000295250321 552975745 /nfs/dbraw/zinc/97/57/45/552975745.db2.gz QKGCLTWWBREUSM-QGZVFWFLSA-N 1 0 353.463 2.333 20 30 FEEDRO C=CCn1c(C(=O)N2CCCC2)nnc1N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC000295896298 553072914 /nfs/dbraw/zinc/07/29/14/553072914.db2.gz IEQPVHITVMFXIN-MRXNPFEDSA-N 1 0 372.517 2.011 20 30 FEEDRO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)Nc1cccc(OCC#N)c1 ZINC000296799008 553213221 /nfs/dbraw/zinc/21/32/21/553213221.db2.gz KAHAEORGFGHWKD-KRWDZBQOSA-N 1 0 372.469 2.154 20 30 FEEDRO C[C@H]1CC[N@H+](C)CCN1C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000502977801 561631399 /nfs/dbraw/zinc/63/13/99/561631399.db2.gz BFWPIQZZAJGDNG-DOTOQJQBSA-N 1 0 373.476 2.402 20 30 FEEDRO CC(C)(C)NC(=O)C[NH+]1CCC(CNc2cc(C#N)nc(C3CC3)n2)CC1 ZINC000601125029 553350576 /nfs/dbraw/zinc/35/05/76/553350576.db2.gz BBYAVBTZOVGPAX-UHFFFAOYSA-N 1 0 370.501 2.264 20 30 FEEDRO C[C@@H](CNC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)[NH+](C)C ZINC000298396389 553420239 /nfs/dbraw/zinc/42/02/39/553420239.db2.gz FKFJIKKMSKTBNV-ZDUSSCGKSA-N 1 0 371.441 2.089 20 30 FEEDRO CC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2)[C@@H]1CCNC1=O ZINC000298419102 553423061 /nfs/dbraw/zinc/42/30/61/553423061.db2.gz FUMPNMLYFFAJSL-SWLSCSKDSA-N 1 0 374.510 2.284 20 30 FEEDRO N#CCCN(CCC#N)C(=O)C[NH2+][C@H]1CCC[C@H]1OCc1ccccc1 ZINC000503525929 561643848 /nfs/dbraw/zinc/64/38/48/561643848.db2.gz LOUMXGXFVLEQBV-RBUKOAKNSA-N 1 0 354.454 2.370 20 30 FEEDRO N#Cc1ccc(N2CC[C@H]([NH2+][C@H](CC(N)=O)C3CCCCC3)C2=O)cc1 ZINC000298856666 553481623 /nfs/dbraw/zinc/48/16/23/553481623.db2.gz IWNDSRRGSXQPDD-ZWKOTPCHSA-N 1 0 354.454 2.077 20 30 FEEDRO N#CCCCOc1cccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000298980936 553498780 /nfs/dbraw/zinc/49/87/80/553498780.db2.gz MFTAXPGXNNZIPK-MSOLQXFVSA-N 1 0 370.453 2.051 20 30 FEEDRO CC[C@@H](C)[N@H+](C)CCNC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000503910658 561649745 /nfs/dbraw/zinc/64/97/45/561649745.db2.gz OCLBMASPORXUEZ-QAPCUYQASA-N 1 0 371.485 2.083 20 30 FEEDRO C=CCN(C(=O)c1ccc(C[NH+](CC)CC)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000299143813 553521377 /nfs/dbraw/zinc/52/13/77/553521377.db2.gz IMUUFVXCCCPXDN-SFHVURJKSA-N 1 0 364.511 2.344 20 30 FEEDRO N#Cc1ccc(CN2CCN(C(=O)N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000504303841 561655865 /nfs/dbraw/zinc/65/58/65/561655865.db2.gz VSPNLOIRQSZWPO-WOJBJXKFSA-N 1 0 367.497 2.012 20 30 FEEDRO CC[NH+](CC)C[C@H](C)NC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000504440203 561658297 /nfs/dbraw/zinc/65/82/97/561658297.db2.gz AKFYUWDHCWMQRD-YJBOKZPZSA-N 1 0 371.485 2.083 20 30 FEEDRO CCOCC[NH+]1CCN(c2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000301397314 553648421 /nfs/dbraw/zinc/64/84/21/553648421.db2.gz GYPHIMGSWPCJSE-UHFFFAOYSA-N 1 0 355.398 2.173 20 30 FEEDRO C[N@@H+]1CCCC[C@@H]1CN1CCN(c2nc3c(cc2C#N)CCCC3)CC1 ZINC000301900481 553689850 /nfs/dbraw/zinc/68/98/50/553689850.db2.gz USPMBTNEOIKGGV-LJQANCHMSA-N 1 0 353.514 2.438 20 30 FEEDRO Cc1cccc(OC[C@H](O)CNC(=[NH2+])N[C@H]2CCOc3ccccc32)c1 ZINC000304518028 553747710 /nfs/dbraw/zinc/74/77/10/553747710.db2.gz WKKZVJNZXLZEKK-QAPCUYQASA-N 1 0 355.438 2.163 20 30 FEEDRO C[C@@H]1C[C@H](NC(=O)N[C@H]2CCCN(C3CCCCC3)C2=O)CC[N@@H+]1C ZINC000328605501 553795119 /nfs/dbraw/zinc/79/51/19/553795119.db2.gz JPGYRMRXXGXAFX-INMHGKMJSA-N 1 0 350.507 2.296 20 30 FEEDRO O=C(NCC1([NH+]2CCCC2)CCOCC1)N[C@@H]1CCCC12CCOCC2 ZINC000328646371 553801833 /nfs/dbraw/zinc/80/18/33/553801833.db2.gz AZOXGDPDLHRHLY-QGZVFWFLSA-N 1 0 365.518 2.484 20 30 FEEDRO C[C@@H]1C[C@H](NC(=O)N2C[C@@H]3COC[C@H](C2)O3)CC[N@@H+]1Cc1ccccc1 ZINC000328661353 553804237 /nfs/dbraw/zinc/80/42/37/553804237.db2.gz AEAJSZJXZVFRMP-OWYHZJEWSA-N 1 0 359.470 2.053 20 30 FEEDRO Cn1ncc2c1C[C@H](C(=O)NC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1)CC2 ZINC000328688262 553807340 /nfs/dbraw/zinc/80/73/40/553807340.db2.gz ZSEYIWGEXTUJPK-NZSAHSFTSA-N 1 0 368.481 2.117 20 30 FEEDRO CC(C)[C@@H](NC(=O)C1CC[NH+](C2CC2)CC1)c1nc(-c2nc[nH]n2)no1 ZINC000328707041 553810092 /nfs/dbraw/zinc/81/00/92/553810092.db2.gz AMYQJOOUESQOGS-CYBMUJFWSA-N 1 0 359.434 2.383 20 30 FEEDRO C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCN(C(=O)Nc3ccccc3)C2)CC[N@@H+]1C ZINC000328728526 553813087 /nfs/dbraw/zinc/81/30/87/553813087.db2.gz GXQOZRCWGORLCY-DJIMGWMZSA-N 1 0 359.474 2.293 20 30 FEEDRO O=C(Nc1nccn1-c1ccccc1)N1CC[NH+](C2CCOCC2)CC1 ZINC000328739320 553815187 /nfs/dbraw/zinc/81/51/87/553815187.db2.gz LEYWQGPDLYVGAA-UHFFFAOYSA-N 1 0 355.442 2.214 20 30 FEEDRO C[C@H](CNC(=O)c1cccc(NC(=O)[C@H]2CCCO2)c1)N1CC[NH+](C)CC1 ZINC000328777079 553820733 /nfs/dbraw/zinc/82/07/33/553820733.db2.gz LGYLRQQFXFTHME-CRAIPNDOSA-N 1 0 374.485 2.394 20 30 FEEDRO CC(=O)N1CCCC[C@@H]1C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000328783600 553821801 /nfs/dbraw/zinc/82/18/01/553821801.db2.gz GMNMRHCTDZPIFZ-HXUWFJFHSA-N 1 0 372.513 2.162 20 30 FEEDRO C[C@H]1CN(C(=O)Nc2ccc3nc(N4CCOCC4)oc3c2)C[C@@H]1[NH+](C)C ZINC000328799709 553824194 /nfs/dbraw/zinc/82/41/94/553824194.db2.gz HMGWEUZRLVVVTB-BBRMVZONSA-N 1 0 373.457 2.092 20 30 FEEDRO C[N@@H+]1CC[C@H](NC(=O)NC2CCN(C(=O)C3CC3)CC2)[C@H]1c1ccccc1 ZINC000328825824 553828567 /nfs/dbraw/zinc/82/85/67/553828567.db2.gz SBLJXADRDXTFNW-RBUKOAKNSA-N 1 0 370.497 2.336 20 30 FEEDRO CC(=O)N1CC[C@H](C[N@@H+](C)[C@H](C)C(=O)Nc2ccc3c(c2)OCCO3)C1 ZINC000328861594 553834620 /nfs/dbraw/zinc/83/46/20/553834620.db2.gz VLWQUURZMCYJOQ-UKRRQHHQSA-N 1 0 361.442 2.235 20 30 FEEDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1[C@@H](C)OCC(=O)N1Cc1ccccc1 ZINC000328934121 553847750 /nfs/dbraw/zinc/84/77/50/553847750.db2.gz FCBAWWPTHKZLCQ-SUMDDJOVSA-N 1 0 359.470 2.243 20 30 FEEDRO CO[C@H]1C[C@@H](C(=O)N2CCCC2)N(CC(=O)NC2CCCCCC2)C1 ZINC000328936790 553848744 /nfs/dbraw/zinc/84/87/44/553848744.db2.gz JPMXJTZTYDPRMZ-IRXDYDNUSA-N 1 0 351.491 2.377 20 30 FEEDRO Cn1nccc1[C@@H]1OCC[C@H]1C[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000328942016 553849629 /nfs/dbraw/zinc/84/96/29/553849629.db2.gz IHPQTTIUMVZRGV-OXJNMPFZSA-N 1 0 369.444 2.331 20 30 FEEDRO CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000329002722 553862491 /nfs/dbraw/zinc/86/24/91/553862491.db2.gz XYHFIHZYEXYYER-SJORKVTESA-N 1 0 359.474 2.305 20 30 FEEDRO COc1ccc2c(c1)OC[C@H](NC(=O)N1CC[C@H]([NH+]3CCCCC3)C1)C2 ZINC000329007302 553863078 /nfs/dbraw/zinc/86/30/78/553863078.db2.gz NHMIEQWOLDMBFH-SJORKVTESA-N 1 0 359.470 2.473 20 30 FEEDRO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N[C@@H]1CC(=O)N(C2CC2)[C@H]1c1ccnn1C ZINC000329035644 553868580 /nfs/dbraw/zinc/86/85/80/553868580.db2.gz YNLQZTREMVKOKL-FCIKYMEBSA-N 1 0 359.474 2.054 20 30 FEEDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@H]1CCO[C@@H]1c1nccn1C ZINC000329044791 553870821 /nfs/dbraw/zinc/87/08/21/553870821.db2.gz JFSADGJVXQINRA-IKGGRYGDSA-N 1 0 363.506 2.264 20 30 FEEDRO CO[C@@H]1CCC[C@@H]1[C@@H]1COCCN1C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000329056614 553872953 /nfs/dbraw/zinc/87/29/53/553872953.db2.gz SRRAOBGBKAIYGZ-FGTMMUONSA-N 1 0 351.491 2.043 20 30 FEEDRO O=C(NC1CC1)[C@H](c1ccccc1)[N@@H+]1CCC[C@@](O)(C(=O)N2CCCC2)C1 ZINC000329078095 553876396 /nfs/dbraw/zinc/87/63/96/553876396.db2.gz CUIUKVWJYUYLRI-RXVVDRJESA-N 1 0 371.481 2.296 20 30 FEEDRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N[C@H]2CCO[C@@H]2c2nccn2C)C1 ZINC000329081363 553877016 /nfs/dbraw/zinc/87/70/16/553877016.db2.gz RRTSRFLVQRJGFK-ULQDDVLXSA-N 1 0 363.506 2.122 20 30 FEEDRO C[C@@H]1C[C@H](NC(=O)N2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)CCO1 ZINC000329105569 553881484 /nfs/dbraw/zinc/88/14/84/553881484.db2.gz ONABRUAHILTYDD-MUQADHOPSA-N 1 0 353.507 2.289 20 30 FEEDRO CCC(=O)N1CCC[C@@H](C(=O)NCC2([NH+]3CCCC3)CCOCC2)C1 ZINC000329119238 553883599 /nfs/dbraw/zinc/88/35/99/553883599.db2.gz VICOATMHQJYIEE-MRXNPFEDSA-N 1 0 351.491 2.237 20 30 FEEDRO C[NH+](C)[C@H](CNC(=O)N[C@@H]1CCO[C@@]2(CCOC2)C1)Cc1ccccc1 ZINC000329126329 553885255 /nfs/dbraw/zinc/88/52/55/553885255.db2.gz UFNAGAUQEFIGPQ-HBFSDRIKSA-N 1 0 361.486 2.001 20 30 FEEDRO CN1CC[C@H]([NH+]2CCC(NC(=O)c3ccccc3OCC3CC3)CC2)C1=O ZINC000329158269 553891559 /nfs/dbraw/zinc/89/15/59/553891559.db2.gz DKGWGZLHKANTOJ-SFHVURJKSA-N 1 0 371.481 2.475 20 30 FEEDRO CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)C1 ZINC000329169759 553894547 /nfs/dbraw/zinc/89/45/47/553894547.db2.gz JHXGHZCEQUXGIN-TXTZMMAHSA-N 1 0 363.502 2.043 20 30 FEEDRO C[C@H](Sc1ccccn1)C(=O)NC1CC[NH+]([C@@H]2CCN(C)C2=O)CC1 ZINC000329169469 553894680 /nfs/dbraw/zinc/89/46/80/553894680.db2.gz JPRGESYETPOLQV-DZGCQCFKSA-N 1 0 362.499 2.214 20 30 FEEDRO CCO[C@H](C(=O)NC1CC[NH+]([C@H]2CCN(C)C2=O)CC1)c1ccccc1 ZINC000329196627 553900263 /nfs/dbraw/zinc/90/02/63/553900263.db2.gz UVAVQAIORABGPS-ROUUACIJSA-N 1 0 359.470 2.416 20 30 FEEDRO Cn1ccnc1[C@H]1OCC[C@@H]1NC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000329224845 553906034 /nfs/dbraw/zinc/90/60/34/553906034.db2.gz FTWRWMAPEHHXPX-SPUZQDLCSA-N 1 0 373.501 2.113 20 30 FEEDRO O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)NC[C@H]1CCCS(=O)(=O)C1 ZINC000329237044 553908257 /nfs/dbraw/zinc/90/82/57/553908257.db2.gz OSUQQXZNPLTOQV-WBVHZDCISA-N 1 0 371.547 2.112 20 30 FEEDRO CN(C(=O)N[C@@H]1CC(=O)N(C2CCCCC2)C1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000329252556 553911312 /nfs/dbraw/zinc/91/13/12/553911312.db2.gz BZLJLJCOUBCIBQ-NAZJXLNTSA-N 1 0 362.518 2.391 20 30 FEEDRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)[C@@H]2CC[C@H](C(=O)N(C)C)O2)C1 ZINC000329261843 553912956 /nfs/dbraw/zinc/91/29/56/553912956.db2.gz ZGBHVVLOVHNIQY-LVQVYYBASA-N 1 0 353.507 2.335 20 30 FEEDRO C[N@H+](CCNC(=O)N[C@@H]1CCCN(C(=O)N2CCCC2)C1)C1CCCC1 ZINC000329264548 553913711 /nfs/dbraw/zinc/91/37/11/553913711.db2.gz GTHARZJBODGSHS-MRXNPFEDSA-N 1 0 365.522 2.045 20 30 FEEDRO CC(C)[C@@H]1CN(C(=O)NCC2(N3CCOCC3)CCCCC2)CCO1 ZINC000329293149 553919248 /nfs/dbraw/zinc/91/92/48/553919248.db2.gz RNJXUGSTKTWOGQ-KRWDZBQOSA-N 1 0 353.507 2.292 20 30 FEEDRO O=C(CNC(=O)c1ccc(F)cc1F)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000329296899 553919563 /nfs/dbraw/zinc/91/95/63/553919563.db2.gz OXYRPZYTJDKWFV-CQSZACIVSA-N 1 0 351.397 2.356 20 30 FEEDRO C[C@@H](NC(=O)N[C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000329331792 553926587 /nfs/dbraw/zinc/92/65/87/553926587.db2.gz ZSHVOFMLYRHKFR-HBPKQKSZSA-N 1 0 362.518 2.152 20 30 FEEDRO Cn1nccc1[C@H]1CCCCN1C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000329332782 553927025 /nfs/dbraw/zinc/92/70/25/553927025.db2.gz NBBOKKREDDICOG-WBVHZDCISA-N 1 0 351.520 2.298 20 30 FEEDRO CCO[C@@H]1C[C@H](NC(=O)N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)[C@]12CCCO2 ZINC000329403942 553940535 /nfs/dbraw/zinc/94/05/35/553940535.db2.gz YVULHZSJVFOQMP-YTGMWSOZSA-N 1 0 351.491 2.186 20 30 FEEDRO CN(C(=O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC000329426970 553944479 /nfs/dbraw/zinc/94/44/79/553944479.db2.gz GPWZDVQQAQDFRB-PKOBYXMFSA-N 1 0 370.497 2.497 20 30 FEEDRO O=C(NC[C@H]1CC(=O)N(C2CC2)C1)[C@H](c1ccccc1)N1CCC(O)CC1 ZINC000329476568 553953925 /nfs/dbraw/zinc/95/39/25/553953925.db2.gz BOAPDKDHUWTDJG-QRWLVFNGSA-N 1 0 371.481 2.152 20 30 FEEDRO CC(C)CNC(=O)N1CCC[C@H](C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)C1 ZINC000329582596 553971961 /nfs/dbraw/zinc/97/19/61/553971961.db2.gz QICXHMHPHZPSMK-ZWKOTPCHSA-N 1 0 364.534 2.355 20 30 FEEDRO O=C(Cc1ccc2c(c1)OCCO2)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000329599541 553974371 /nfs/dbraw/zinc/97/43/71/553974371.db2.gz PWCLRRJMRZLRLM-MRXNPFEDSA-N 1 0 360.454 2.458 20 30 FEEDRO N#CCCCOc1cccc(C[NH+]2CCC(C(=O)NCCCO)CC2)c1 ZINC000506881869 561710807 /nfs/dbraw/zinc/71/08/07/561710807.db2.gz RNDZSJIOOXWUIE-UHFFFAOYSA-N 1 0 359.470 2.080 20 30 FEEDRO Cn1cc(NC(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)c(C2CC2)n1 ZINC000329637429 553980815 /nfs/dbraw/zinc/98/08/15/553980815.db2.gz VQDVOBUOJKWKAT-IAGOWNOFSA-N 1 0 361.490 2.391 20 30 FEEDRO CC[C@H](C)[NH2+][C@H](CNC(=O)C(=O)Nc1ccc(C#N)cc1F)c1ccco1 ZINC000506953241 561712537 /nfs/dbraw/zinc/71/25/37/561712537.db2.gz JDFJIOWNJQKFJA-BLLLJJGKSA-N 1 0 372.400 2.474 20 30 FEEDRO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)Nc1cccc(OCC(=O)N2CCCC2)c1 ZINC000329669037 553985853 /nfs/dbraw/zinc/98/58/53/553985853.db2.gz MCUOKZPMHILBIU-JKSUJKDBSA-N 1 0 374.485 2.258 20 30 FEEDRO CC[C@@H]1CN(C(=O)[C@H](C)NC(=O)C2CCCC2)C[C@H]1N1CCOCC1 ZINC000329744396 553998449 /nfs/dbraw/zinc/99/84/49/553998449.db2.gz QQNWBZRLEZWJRO-ZMSDIMECSA-N 1 0 351.491 2.091 20 30 FEEDRO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@H]1CC(=O)N(c2ccccc2F)C1 ZINC000329772939 554003541 /nfs/dbraw/zinc/00/35/41/554003541.db2.gz LBLGDQICKGIGNV-QLFBSQMISA-N 1 0 360.433 2.014 20 30 FEEDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@H]2CCCN(c3ccc(C)nn3)C2)C1 ZINC000329779092 554004188 /nfs/dbraw/zinc/00/41/88/554004188.db2.gz QRIASZAQZJGPOK-ROUUACIJSA-N 1 0 374.533 2.332 20 30 FEEDRO C[NH+](C)[C@@H](CNC(=O)C1CCN(c2ccc(C#N)cc2F)CC1)C1CC1 ZINC000507146097 561719077 /nfs/dbraw/zinc/71/90/77/561719077.db2.gz VOCVLBVJWBROQH-IBGZPJMESA-N 1 0 358.461 2.370 20 30 FEEDRO Cc1cc(CN2C[C@@H](F)C[C@H]2CN(C)C(=O)N[C@H](C)[C@@H]2CCOC2)on1 ZINC000329799478 554007872 /nfs/dbraw/zinc/00/78/72/554007872.db2.gz HNTXHYSDJFEFNK-WCVJEAGWSA-N 1 0 368.453 2.166 20 30 FEEDRO C[C@@H]1C[C@H](NC(=O)N2CCC[NH+](Cc3ccc(C#N)cc3)CC2)CC[N@@H+]1C ZINC000329818337 554011434 /nfs/dbraw/zinc/01/14/34/554011434.db2.gz XALCJMVJEUSQLF-YLJYHZDGSA-N 1 0 369.513 2.463 20 30 FEEDRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)Nc1c(-c2cnn(C)c2)nc2ccccn21 ZINC000329859403 554020150 /nfs/dbraw/zinc/02/01/50/554020150.db2.gz WPZKSOZXFMUQCT-ZIAGYGMSSA-N 1 0 367.457 2.305 20 30 FEEDRO CN1CCO[C@@H](C(=O)Nc2ccccc2C[N@@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000329858651 554020165 /nfs/dbraw/zinc/02/01/65/554020165.db2.gz OEIISPCUCMAKIG-DOTOQJQBSA-N 1 0 360.458 2.352 20 30 FEEDRO CC[C@H]1CC[C@H](C)N1C(=O)Nc1ccnc(C(=O)N2CCN(C)CC2)c1 ZINC000329860322 554020202 /nfs/dbraw/zinc/02/02/02/554020202.db2.gz XGKOEVLDZOTRJN-HOCLYGCPSA-N 1 0 359.474 2.278 20 30 FEEDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2CCO[C@]3(CCO[C@H]3C)C2)C1 ZINC000329902602 554028354 /nfs/dbraw/zinc/02/83/54/554028354.db2.gz HTFKNDKRKKHJQW-YQVWRLOYSA-N 1 0 353.507 2.148 20 30 FEEDRO CC1CC[NH+](Cc2ccccc2CNC(=O)N[C@H]2CC(=O)N(C)C2)CC1 ZINC000329929141 554033586 /nfs/dbraw/zinc/03/35/86/554033586.db2.gz NDMPZRHYFHUZRD-SFHVURJKSA-N 1 0 358.486 2.153 20 30 FEEDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)N[C@H]3CC(=O)N(C)C3)cc2)C1 ZINC000329931662 554034019 /nfs/dbraw/zinc/03/40/19/554034019.db2.gz PDWWFKPYYMSPFH-FCEWJHQRSA-N 1 0 372.513 2.399 20 30 FEEDRO C[C@@H]1C[C@@H](NC(=O)N2CCn3ncnc3C2)CC[N@@H+]1Cc1ccccc1 ZINC000329952431 554037727 /nfs/dbraw/zinc/03/77/27/554037727.db2.gz IUOFZKOCZZECKX-WBVHZDCISA-N 1 0 354.458 2.061 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCN(CC)[C@H](c3ncc[nH]3)C2)CC1 ZINC000329952407 554038183 /nfs/dbraw/zinc/03/81/83/554038183.db2.gz ITWRUXQEHJUJJV-KRWDZBQOSA-N 1 0 360.506 2.043 20 30 FEEDRO CCO[C@@H]1C[C@H](NC(=O)NC[C@H]2CCC[N@H+](CC)C2)C12CCOCC2 ZINC000329993006 554045729 /nfs/dbraw/zinc/04/57/29/554045729.db2.gz YCFRYWRETAPASJ-IXDOHACOSA-N 1 0 353.507 2.196 20 30 FEEDRO C[C@@H]1CN(C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)C[C@]2(CCOC2)O1 ZINC000330000251 554047364 /nfs/dbraw/zinc/04/73/64/554047364.db2.gz WCUNXVXVKKPHFL-LMNJBCLMSA-N 1 0 373.497 2.302 20 30 FEEDRO Cc1c([C@@H]2[C@H](C(=O)NC3CC([NH+]4CCCCC4)C3)CC(=O)N2C)cnn1C ZINC000330048186 554054431 /nfs/dbraw/zinc/05/44/31/554054431.db2.gz IHLCDCPIXOWREX-FCJNSDPXSA-N 1 0 373.501 2.221 20 30 FEEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2cn([C@H]3CCOC3)nn2)C1 ZINC000330053837 554056185 /nfs/dbraw/zinc/05/61/85/554056185.db2.gz RAJODFRNWWFLQG-PVAVHDDUSA-N 1 0 355.442 2.380 20 30 FEEDRO O=C(NCC1([NH+]2CCSCC2)CCCC1)Nc1ccn(CC(F)F)n1 ZINC000330096903 554063882 /nfs/dbraw/zinc/06/38/82/554063882.db2.gz ACRBDQZGEVGIRG-UHFFFAOYSA-N 1 0 373.473 2.836 20 30 FEEDRO C[C@@H]1CCC[C@@](CNC(=O)N2CC(=O)N(CC(F)(F)F)C2)([NH+](C)C)C1 ZINC000330133945 554071548 /nfs/dbraw/zinc/07/15/48/554071548.db2.gz MFBQLYCXZVJONE-IUODEOHRSA-N 1 0 364.412 2.075 20 30 FEEDRO CCS(=O)(=O)N1CCC[C@H](C(=O)NC2CC[NH+](C3CCCC3)CC2)C1 ZINC000330160933 554076379 /nfs/dbraw/zinc/07/63/79/554076379.db2.gz SNHUOJJMWVEILC-HNNXBMFYSA-N 1 0 371.547 2.412 20 30 FEEDRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CCOC[C@H](C3CCC3)C2)C1 ZINC000330189078 554080992 /nfs/dbraw/zinc/08/09/92/554080992.db2.gz UWXSSPZMPNBGFG-QZTJIDSGSA-N 1 0 353.507 2.006 20 30 FEEDRO CS(=O)(=O)C[C@@H]1CCN(C(=O)NC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000330191860 554081759 /nfs/dbraw/zinc/08/17/59/554081759.db2.gz NIHMQCXQPUWRPP-OAHLLOKOSA-N 1 0 371.547 2.064 20 30 FEEDRO CC(C)[C@@H]1OCC[C@H]1CNC(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000330219983 554087704 /nfs/dbraw/zinc/08/77/04/554087704.db2.gz PWAXTLXQIPCVLU-ROUUACIJSA-N 1 0 353.507 2.006 20 30 FEEDRO C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)CC1=O ZINC000330223268 554088038 /nfs/dbraw/zinc/08/80/38/554088038.db2.gz AERXTUXHIOOFGE-YSHGAJCASA-N 1 0 370.497 2.336 20 30 FEEDRO O=C(N[C@@H]1CCOC2(CCOCC2)C1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000330257995 554094604 /nfs/dbraw/zinc/09/46/04/554094604.db2.gz LZPGEECXPOHOTQ-IAGOWNOFSA-N 1 0 351.491 2.046 20 30 FEEDRO CC(C)N1C[C@H](NC(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC1=O ZINC000330257987 554094658 /nfs/dbraw/zinc/09/46/58/554094658.db2.gz RAQQHQCXKZPNEU-MSOLQXFVSA-N 1 0 358.486 2.164 20 30 FEEDRO 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554136089 /nfs/dbraw/zinc/13/60/89/554136089.db2.gz KIJKRDJXLAHKDQ-GOSISDBHSA-N 1 0 364.515 2.139 20 30 FEEDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(CC(=O)NC(=O)NC(C)(C)C)C1 ZINC000330782372 554170572 /nfs/dbraw/zinc/17/05/72/554170572.db2.gz PKQMNFQCEAAJLZ-CVEARBPZSA-N 1 0 352.523 2.402 20 30 FEEDRO CC(C)NC(=O)[C@@H]1CCC[C@H](NC(=O)N(C)C[C@H]2CCC[N@H+](C)C2)C1 ZINC000330813971 554174873 /nfs/dbraw/zinc/17/48/73/554174873.db2.gz OBQIALHFHOQWOQ-BBWFWOEESA-N 1 0 352.523 2.257 20 30 FEEDRO COCCOc1cc(NC(=O)N2CC[N@H+](C)[C@@H](C)[C@@H]2C)ccc1OC ZINC000330867728 554180852 /nfs/dbraw/zinc/18/08/52/554180852.db2.gz ABCBDKFKRRUFIB-KBPBESRZSA-N 1 0 351.447 2.290 20 30 FEEDRO CC(C)CNC(=O)N1CCC[C@@H](C(=O)N(C)CC2CC[NH+](C)CC2)C1 ZINC000330904542 554186106 /nfs/dbraw/zinc/18/61/06/554186106.db2.gz MBYLFFQQCHWQTB-QGZVFWFLSA-N 1 0 352.523 2.069 20 30 FEEDRO CC[N@H+](C)C[C@H]1CCN(C(=O)Nc2cccc(CS(C)(=O)=O)c2C)C1 ZINC000331138475 554220388 /nfs/dbraw/zinc/22/03/88/554220388.db2.gz QPUZGRJUICGRFT-OAHLLOKOSA-N 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355.438 2.349 20 30 FEEDRO CN(CCC#N)C(=O)CC[N@@H+]1CC[C@@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC000367014637 555997460 /nfs/dbraw/zinc/99/74/60/555997460.db2.gz GLGAHYCYCYNTDK-LJQANCHMSA-N 1 0 364.490 2.224 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)[C@H]2CCC(=O)N(c3ccccc3OC)C2)CC1 ZINC000367359913 556027771 /nfs/dbraw/zinc/02/77/71/556027771.db2.gz CTLGMHWBUCIGFE-INIZCTEOSA-N 1 0 371.481 2.205 20 30 FEEDRO N#Cc1ccc(N2CC[C@H](C(=O)N3CC[C@@H]([NH+]4CCCC4)C3)C2)c(F)c1 ZINC000367651465 556105147 /nfs/dbraw/zinc/10/51/47/556105147.db2.gz SCEZGQRXHKVJIW-DLBZAZTESA-N 1 0 356.445 2.220 20 30 FEEDRO CN1CC[NH+](CC2(C)CCN(C(=O)c3ccc(F)c(C#N)c3)CC2)CC1 ZINC000367668426 556109626 /nfs/dbraw/zinc/10/96/26/556109626.db2.gz AYIOKGPQLISALL-UHFFFAOYSA-N 1 0 358.461 2.187 20 30 FEEDRO N#Cc1ccc(N2CC[C@@H](C(=O)N3CCC[N@@H+]4CCC[C@H]4C3)C2)c(F)c1 ZINC000367721693 556123080 /nfs/dbraw/zinc/12/30/80/556123080.db2.gz RFPRSFIPAOOIEP-SJORKVTESA-N 1 0 356.445 2.220 20 30 FEEDRO C[C@H](NC(=O)C(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C)c1ccc(C#N)cc1 ZINC000514875640 561984716 /nfs/dbraw/zinc/98/47/16/561984716.db2.gz KONKEJPAYYOQIY-XHSDSOJGSA-N 1 0 356.470 2.115 20 30 FEEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000367823191 556147402 /nfs/dbraw/zinc/14/74/02/556147402.db2.gz CWMASHXMKVUVBH-CRAIPNDOSA-N 1 0 357.502 2.431 20 30 FEEDRO N#Cc1ccc(N2CCC[C@H]([NH+]3CCC(C(=O)NC4CC4)CC3)C2=O)cc1 ZINC000367925270 556174323 /nfs/dbraw/zinc/17/43/23/556174323.db2.gz HFOHCEBAZWGTEN-IBGZPJMESA-N 1 0 366.465 2.044 20 30 FEEDRO N#C[C@@H]1CN(C(=O)N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CCO1 ZINC000368186898 556242515 /nfs/dbraw/zinc/24/25/15/556242515.db2.gz BRPCTPMXLOJUCH-UAFMIMERSA-N 1 0 368.481 2.221 20 30 FEEDRO C[C@H]1C[C@H](C)C[NH+](C2CCN(S(=O)(=O)c3cccnc3C#N)CC2)C1 ZINC000368463744 556317729 /nfs/dbraw/zinc/31/77/29/556317729.db2.gz XRPISEDLJHWYHH-GJZGRUSLSA-N 1 0 362.499 2.084 20 30 FEEDRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)[C@@]1(C#N)CCc2ccccc2C1 ZINC000368589763 556355565 /nfs/dbraw/zinc/35/55/65/556355565.db2.gz JJFJXQKQOHNBEM-QFIPXVFZSA-N 1 0 368.525 2.170 20 30 FEEDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H](O)COc1ccc(C#N)cc1 ZINC000515415944 562009934 /nfs/dbraw/zinc/00/99/34/562009934.db2.gz YVLGUHATEFNESC-INIZCTEOSA-N 1 0 357.366 2.005 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CCCc2nccn21 ZINC000368692500 556386701 /nfs/dbraw/zinc/38/67/01/556386701.db2.gz NRYWHVXCPREEND-GOSISDBHSA-N 1 0 351.454 2.223 20 30 FEEDRO C[C@H]1CN(C(=O)C2(c3ccc(C#N)cc3)CC2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000368712194 556394924 /nfs/dbraw/zinc/39/49/24/556394924.db2.gz LAYWTGCQDYERGP-PXNSSMCTSA-N 1 0 366.509 2.074 20 30 FEEDRO N#Cc1ccc(NC(=O)CC[N@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)cc1Cl ZINC000368975635 556464770 /nfs/dbraw/zinc/46/47/70/556464770.db2.gz RSUSGORMQDKHGK-QEORTHHSSA-N 1 0 360.845 2.126 20 30 FEEDRO COc1cc(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)ccc1C#N ZINC000515834016 562023071 /nfs/dbraw/zinc/02/30/71/562023071.db2.gz KHOPARARQCJFNR-MRXNPFEDSA-N 1 0 357.366 2.005 20 30 FEEDRO C[NH+]1CCC(N2CC[C@@H](NC(=O)CSCc3ccc(C#N)cc3)C2)CC1 ZINC000369277362 556561836 /nfs/dbraw/zinc/56/18/36/556561836.db2.gz LPNQBBKBXYFZHW-GOSISDBHSA-N 1 0 372.538 2.076 20 30 FEEDRO Cn1cc([C@@H](O)C[C@@H]2CCC[N@@H+]2CCC(=O)Nc2sccc2C#N)cn1 ZINC000369284439 556564569 /nfs/dbraw/zinc/56/45/69/556564569.db2.gz RDKDUYAZOHDDSV-HOTGVXAUSA-N 1 0 373.482 2.270 20 30 FEEDRO O=C(C[N@@H+]1CC[C@H]2OCC[C@H]2C1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000369561081 556631446 /nfs/dbraw/zinc/63/14/46/556631446.db2.gz MNPJTKWVQLVYGW-DOTOQJQBSA-N 1 0 366.383 2.284 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)[C@H]2CCCN(C(=O)c3cccs3)C2)CC1 ZINC000369592031 556640917 /nfs/dbraw/zinc/64/09/17/556640917.db2.gz ODFUTOCBWAKOJG-INIZCTEOSA-N 1 0 373.522 2.204 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)CC1 ZINC000369591861 556641202 /nfs/dbraw/zinc/64/12/02/556641202.db2.gz NKDGERWUGMUDEP-OAHLLOKOSA-N 1 0 373.884 2.297 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)[C@H]2CC(=O)N(c3cccc(C)c3C)C2)CC1 ZINC000369594478 556641845 /nfs/dbraw/zinc/64/18/45/556641845.db2.gz YOXRLLZRBNSKPI-SFHVURJKSA-N 1 0 367.493 2.260 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)[C@@H]2CCN(c3cccc(Cl)c3)C2=O)CC1 ZINC000369757317 556686702 /nfs/dbraw/zinc/68/67/02/556686702.db2.gz KXCSYUGCVGVPJS-SFHVURJKSA-N 1 0 373.884 2.297 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cnc2n1CCCC2 ZINC000369775519 556691387 /nfs/dbraw/zinc/69/13/87/556691387.db2.gz XZKWJLZHMKYJIN-UHFFFAOYSA-N 1 0 351.454 2.295 20 30 FEEDRO C[C@H]1C[C@H](N(C)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CC[N@@H+]1C ZINC000369859238 556714245 /nfs/dbraw/zinc/71/42/45/556714245.db2.gz AFIUAKXDZKPIJW-MAUKXSAKSA-N 1 0 370.501 2.046 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N(C)C[C@H]2CCCN2c2cccnn2)CC1 ZINC000369864567 556716108 /nfs/dbraw/zinc/71/61/08/556716108.db2.gz WAFZZPPZGHSUJB-GOSISDBHSA-N 1 0 372.517 2.127 20 30 FEEDRO CC(C)(C)OC(=O)[C@@]12CCC[C@H]1C[N@H+](C[C@@H]1CNc3c(C#N)cnn3C1)C2 ZINC000516468590 562043988 /nfs/dbraw/zinc/04/39/88/562043988.db2.gz ZKEXUDQISMVKCL-DKICVRJWSA-N 1 0 371.485 2.240 20 30 FEEDRO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 ZINC000370001281 556754396 /nfs/dbraw/zinc/75/43/96/556754396.db2.gz ZTONEQLVWJELIP-HIFRSBDPSA-N 1 0 368.416 2.583 20 30 FEEDRO Cc1cc(N2CCC(NC(=O)[C@H](C)Oc3ccc(C#N)cc3)CC2)ncn1 ZINC000370273464 556827048 /nfs/dbraw/zinc/82/70/48/556827048.db2.gz WPLRFMAQKNVYCO-HNNXBMFYSA-N 1 0 365.437 2.209 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N2C[C@H](C)O[C@@]3(CCO[C@@H]3C)C2)CC1 ZINC000370507461 556894201 /nfs/dbraw/zinc/89/42/01/556894201.db2.gz IETBTBNRYLYRER-FCEWJHQRSA-N 1 0 351.491 2.005 20 30 FEEDRO N#Cc1ccc(CSCC(=O)NC[C@@H]2CCC[C@H]2[NH+]2CCOCC2)cc1 ZINC000370772400 556963501 /nfs/dbraw/zinc/96/35/01/556963501.db2.gz KEOFYJJKQLHPFP-RBUKOAKNSA-N 1 0 373.522 2.409 20 30 FEEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@@H]2CCN(c3ccccc3C(N)=O)C2)cc1 ZINC000370831447 556983705 /nfs/dbraw/zinc/98/37/05/556983705.db2.gz VAUDSPTWYIRBFT-NVXWUHKLSA-N 1 0 364.449 2.445 20 30 FEEDRO Cc1oc(NC(=O)C[N@@H+](C)C2CCN(c3ncccn3)CC2)c(C#N)c1C ZINC000370871581 556997746 /nfs/dbraw/zinc/99/77/46/556997746.db2.gz BKMGQKJASLAQPJ-UHFFFAOYSA-N 1 0 368.441 2.097 20 30 FEEDRO N#CCOc1ccc(CC(=O)N[C@@H]2[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC000371129336 557082995 /nfs/dbraw/zinc/08/29/95/557082995.db2.gz WLNFDXJZRIZUNJ-XVAYZXCPSA-N 1 0 361.445 2.378 20 30 FEEDRO C[N@H+](C[C@@H]1CC12CCN(C(=O)C(=O)Nc1cccc(C#N)c1)CC2)C1CC1 ZINC000371311778 557141750 /nfs/dbraw/zinc/14/17/50/557141750.db2.gz ZIRGOUYYWAKKES-INIZCTEOSA-N 1 0 366.465 2.220 20 30 FEEDRO CCc1nn(C)c(CC)c1CN1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000371469017 557189955 /nfs/dbraw/zinc/18/99/55/557189955.db2.gz CMZZRZGQWWVZOC-SPLOXXLWSA-N 1 0 363.465 2.390 20 30 FEEDRO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+](C)C[C@H]1CCCN1c1cccnn1 ZINC000371549396 557219260 /nfs/dbraw/zinc/21/92/60/557219260.db2.gz SCODVWQOQKFBIN-NVXWUHKLSA-N 1 0 364.453 2.276 20 30 FEEDRO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)COc1ccc(C#N)cc1 ZINC000371655040 557252509 /nfs/dbraw/zinc/25/25/09/557252509.db2.gz YCVKUVPHQCEHJG-OXJNMPFZSA-N 1 0 364.449 2.359 20 30 FEEDRO COCCOc1ccc(C#N)cc1NC(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000371765904 557287165 /nfs/dbraw/zinc/28/71/65/557287165.db2.gz LXLQYCHQEHLKGF-HZPDHXFCSA-N 1 0 358.442 2.332 20 30 FEEDRO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[NH2+]C[C@H]2CN(C3CC3)CCO2)cc1 ZINC000371793293 557295132 /nfs/dbraw/zinc/29/51/32/557295132.db2.gz VNORVZCZWGSFDF-XLIONFOSSA-N 1 0 370.497 2.083 20 30 FEEDRO C[NH+]1CCC(C#N)(NC(=O)c2ccc(OCC(F)(F)C(F)F)nc2)CC1 ZINC000518300333 562108207 /nfs/dbraw/zinc/10/82/07/562108207.db2.gz NICNXNCCLNVHBO-UHFFFAOYSA-N 1 0 374.338 2.079 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)NCc2ccccc2Cn2cccn2)CC1 ZINC000518531087 562113718 /nfs/dbraw/zinc/11/37/18/562113718.db2.gz HNIJBWXLBWKQJF-UHFFFAOYSA-N 1 0 353.470 2.381 20 30 FEEDRO CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CC(=O)Nc3sc(C)c(C)c3C#N)[C@@H]2C1 ZINC000518828281 562119520 /nfs/dbraw/zinc/11/95/20/562119520.db2.gz FUVHKCNYTNRPMY-USXIJHARSA-N 1 0 374.510 2.412 20 30 FEEDRO Cc1cc(NC(=O)NCCC2CC[NH+](C)CC2)nn1-c1cccc(C#N)c1 ZINC000372380829 557455470 /nfs/dbraw/zinc/45/54/70/557455470.db2.gz QBBDBBQAPHLKPR-UHFFFAOYSA-N 1 0 366.469 2.906 20 30 FEEDRO CN(C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)S(=O)(=O)CCCCC#N ZINC000372406749 557462879 /nfs/dbraw/zinc/46/28/79/557462879.db2.gz ZIAMPTREROZTTK-IRXDYDNUSA-N 1 0 350.488 2.030 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2COc3cc(OC)ccc3C2)CC1 ZINC000372450279 557473675 /nfs/dbraw/zinc/47/36/75/557473675.db2.gz SRLGKCWMXNEQDZ-QGZVFWFLSA-N 1 0 359.470 2.338 20 30 FEEDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2cc(C)n(-c3cccc(C#N)c3)n2)C1 ZINC000372482173 557482503 /nfs/dbraw/zinc/48/25/03/557482503.db2.gz NMHJUXDCTNOKNL-KRWDZBQOSA-N 1 0 366.469 2.858 20 30 FEEDRO COc1cc(CNC(=O)NCC2(SC)CC[NH+](C)CC2)ccc1C#N ZINC000519684549 562139768 /nfs/dbraw/zinc/13/97/68/562139768.db2.gz ADMMLLYFPGZRGB-UHFFFAOYSA-N 1 0 362.499 2.193 20 30 FEEDRO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CC[C@@]2(C1)CCCN(C)C2=O ZINC000372901548 557585116 /nfs/dbraw/zinc/58/51/16/557585116.db2.gz GCVMCSDAZAALRY-ORAYPTAESA-N 1 0 374.872 2.483 20 30 FEEDRO COc1cc(/C=C/C(=O)N2CC[C@H]3CC[N@H+](C)[C@H]3C2)ccc1OCC#N ZINC000372983806 557603280 /nfs/dbraw/zinc/60/32/80/557603280.db2.gz VIIDAJNOXHERCZ-UPXOEVQQSA-N 1 0 355.438 2.163 20 30 FEEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1CC[C@](O)(C2CC2)C1 ZINC000373240171 557656438 /nfs/dbraw/zinc/65/64/38/557656438.db2.gz CDTOSONFVBHYDP-MGPUTAFESA-N 1 0 357.454 2.177 20 30 FEEDRO CN1CCC([N@@H+]2CC[C@@H](NC(=O)C[C@H](CC#N)c3ccccc3)C2)CC1 ZINC000373507431 557707589 /nfs/dbraw/zinc/70/75/89/557707589.db2.gz IAHSYEDIVWTFHQ-RBUKOAKNSA-N 1 0 354.498 2.359 20 30 FEEDRO N#CC1(NC(=O)[C@@H](O)Cc2ccccc2)CC[NH+](Cc2ccccc2)CC1 ZINC000373516200 557709216 /nfs/dbraw/zinc/70/92/16/557709216.db2.gz QGTONHNIWVOMHW-FQEVSTJZSA-N 1 0 363.461 2.265 20 30 FEEDRO N#Cc1c(Cl)cccc1S(=O)(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000374183729 557839626 /nfs/dbraw/zinc/83/96/26/557839626.db2.gz OWOQWBZAEDNARK-HNNXBMFYSA-N 1 0 353.875 2.364 20 30 FEEDRO CCc1nc(CN2C[C@@H]3C[N@@H+](Cc4ccc(C#N)c(OC)c4)C[C@@H]3C2)no1 ZINC000374204216 557843103 /nfs/dbraw/zinc/84/31/03/557843103.db2.gz IEPNRGFNRUSKBZ-CALCHBBNSA-N 1 0 367.453 2.076 20 30 FEEDRO CCCCCCCS(=O)(=O)N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000374236271 557848087 /nfs/dbraw/zinc/84/80/87/557848087.db2.gz ADFPXSRNYBWCRL-GOSISDBHSA-N 1 0 359.580 2.387 20 30 FEEDRO C=CCOc1ccc(C(=O)N2CCN[C@@H](c3ccncc3)C2)cc1OC ZINC000374376103 557874320 /nfs/dbraw/zinc/87/43/20/557874320.db2.gz VMHNAYSLWSLXGK-QGZVFWFLSA-N 1 0 353.422 2.442 20 30 FEEDRO CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCC[C@H]([NH+]2CCCCCC2)C1 ZINC000374455606 557886215 /nfs/dbraw/zinc/88/62/15/557886215.db2.gz BLTDQXMKRPCBQC-IRXDYDNUSA-N 1 0 356.536 2.053 20 30 FEEDRO CCN(C[C@H](C)C#N)S(=O)(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000374457856 557886579 /nfs/dbraw/zinc/88/65/79/557886579.db2.gz HAKNDSGDGXSJKC-OAHLLOKOSA-N 1 0 356.536 2.099 20 30 FEEDRO Cc1noc(C2(C)CC[NH+](C[C@H](O)COc3ccc(C#N)cc3)CC2)n1 ZINC000374748884 557924999 /nfs/dbraw/zinc/92/49/99/557924999.db2.gz ITAGXDPUMXYWIA-INIZCTEOSA-N 1 0 356.426 2.043 20 30 FEEDRO CCNC(=O)Nc1c[nH]nc1[C@H]1CCC[N@H+](CCCSCC#N)C1 ZINC000374776529 557929831 /nfs/dbraw/zinc/92/98/31/557929831.db2.gz FUWAYYYEYYYCGL-ZDUSSCGKSA-N 1 0 350.492 2.377 20 30 FEEDRO CN1CC[NH+](CC2(C)CCN(c3nc4ccccn4c3C#N)CC2)CC1 ZINC000374932284 557953117 /nfs/dbraw/zinc/95/31/17/557953117.db2.gz QCGCRXCLLFNVIK-UHFFFAOYSA-N 1 0 352.486 2.060 20 30 FEEDRO N#Cc1ccc(C2(C(=O)N3CCC[N@@H+](C4CCOCC4)CC3)CC2)cc1 ZINC000375256675 557999749 /nfs/dbraw/zinc/99/97/49/557999749.db2.gz UPUJWCWKIJKUIS-UHFFFAOYSA-N 1 0 353.466 2.303 20 30 FEEDRO CN1C(=O)C[C@H]([NH2+]C[C@H](O)c2ccc(C#N)cc2)[C@@H]1c1ccc(F)cc1 ZINC000375429882 558025810 /nfs/dbraw/zinc/02/58/10/558025810.db2.gz TURZHSYSGGVCCZ-BJLQDIEVSA-N 1 0 353.397 2.292 20 30 FEEDRO N#C[C@H]1C[N@@H+](CC2CCC3(CC2)OCCO3)C[C@]12C(=O)Nc1ccccc12 ZINC000375434421 558026768 /nfs/dbraw/zinc/02/67/68/558026768.db2.gz DQONFRDZCMVUOH-KKSFZXQISA-N 1 0 367.449 2.265 20 30 FEEDRO C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCC[C@H](NC(=O)OC(C)(C)C)[C@@H]3C2)C1=O ZINC000375610464 558056612 /nfs/dbraw/zinc/05/66/12/558056612.db2.gz GHWOHGIJERRIAP-YVSFHVDLSA-N 1 0 363.502 2.399 20 30 FEEDRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(C)(C)c3cc(F)cc(C#N)c3)CC2)C1 ZINC000375757647 558077925 /nfs/dbraw/zinc/07/79/25/558077925.db2.gz MCJRQVMFKGMJFO-LJQANCHMSA-N 1 0 372.488 2.213 20 30 FEEDRO N#Cc1ccc(C[C@H](C#N)C(=O)NC2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000375918687 558099704 /nfs/dbraw/zinc/09/97/04/558099704.db2.gz WZMWGBGKSPYRKL-HXUWFJFHSA-N 1 0 373.460 2.416 20 30 FEEDRO C=CCOCCNC(=O)N(C)C[C@@H]1CCC[N@@H+](CC)[C@H]1c1cnn(C)c1 ZINC000376070613 558122864 /nfs/dbraw/zinc/12/28/64/558122864.db2.gz USQXXSPWUXKGBZ-FUHWJXTLSA-N 1 0 363.506 2.037 20 30 FEEDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)C3CCN(c4ccc(C#N)cc4F)CC3)C[C@@H]21 ZINC000376075046 558123339 /nfs/dbraw/zinc/12/33/39/558123339.db2.gz KYDTYTDXLGFHDJ-UZLBHIALSA-N 1 0 370.472 2.466 20 30 FEEDRO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1Nc1cc(N)c([N+](=O)[O-])c(C#N)c1 ZINC000376175335 558136946 /nfs/dbraw/zinc/13/69/46/558136946.db2.gz VYONAFTYOKXECS-PVUWLOKVSA-N 1 0 359.430 2.350 20 30 FEEDRO C#CCOc1ccccc1NC(=O)N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000376335032 558159436 /nfs/dbraw/zinc/15/94/36/558159436.db2.gz QYMXHWQXEUOMIP-SFHVURJKSA-N 1 0 370.497 2.331 20 30 FEEDRO COc1cc(C[NH2+]C[C@H]2C[C@H](O)CN2Cc2ccccc2)ccc1C#N ZINC000376609330 558197090 /nfs/dbraw/zinc/19/70/90/558197090.db2.gz IVHVGBLGHGYQJY-UXHICEINSA-N 1 0 351.450 2.292 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@@H](c3nc(C4CC4)no3)C2)CC1 ZINC000376704669 558211215 /nfs/dbraw/zinc/21/12/15/558211215.db2.gz KXUWRNPFYARDHM-OAHLLOKOSA-N 1 0 359.474 2.486 20 30 FEEDRO C[N@H+]1CC=C(CNC(=O)C2CCN(c3c(F)cc(C#N)cc3F)CC2)CC1 ZINC000376932979 558241169 /nfs/dbraw/zinc/24/11/69/558241169.db2.gz OKXJWLXXFYUETH-UHFFFAOYSA-N 1 0 374.435 2.431 20 30 FEEDRO CC(C)(CCC#N)CNC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000377033159 558253927 /nfs/dbraw/zinc/25/39/27/558253927.db2.gz SSGBHMVKXQOZGH-RBUKOAKNSA-N 1 0 372.513 2.499 20 30 FEEDRO Cc1cc(C#N)cc(N2CCN([C@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)n1 ZINC000377158615 558278333 /nfs/dbraw/zinc/27/83/33/558278333.db2.gz MITIDEZUSDEWLB-KRWDZBQOSA-N 1 0 371.485 2.393 20 30 FEEDRO CCOc1ccc(C#N)cc1NC(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000522086664 562191156 /nfs/dbraw/zinc/19/11/56/562191156.db2.gz MHWKJNATBGASKZ-UHFFFAOYSA-N 1 0 359.474 2.106 20 30 FEEDRO C=C(C)COc1cccc(NC(=O)C(=O)N2CCC[N@@H+]3CCC[C@H]3C2)c1 ZINC000377524752 558357052 /nfs/dbraw/zinc/35/70/52/558357052.db2.gz UVGACBDFHSGLKK-KRWDZBQOSA-N 1 0 357.454 2.277 20 30 FEEDRO CCN1C(=O)N=NC1C1CC[NH+](CCC(=O)Nc2sccc2C#N)CC1 ZINC000377582404 558370969 /nfs/dbraw/zinc/37/09/69/558370969.db2.gz OEUNUPXBXKONCQ-UHFFFAOYSA-N 1 0 374.470 2.145 20 30 FEEDRO Cc1cn2c(n1)CC[C@H]([NH2+][C@H](C)C(=O)N(CCC#N)c1ccccc1)C2 ZINC000377822956 558426908 /nfs/dbraw/zinc/42/69/08/558426908.db2.gz DVPVNQKWFGEJEI-SJORKVTESA-N 1 0 351.454 2.431 20 30 FEEDRO CC(C)(C#N)CCS(=O)(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000377835727 558432033 /nfs/dbraw/zinc/43/20/33/558432033.db2.gz WAZZWDSDTXZAAW-QZTJIDSGSA-N 1 0 361.511 2.462 20 30 FEEDRO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000378299970 558523414 /nfs/dbraw/zinc/52/34/14/558523414.db2.gz UFBZZSMHISXWCY-VQTJNVASSA-N 1 0 371.481 2.251 20 30 FEEDRO CCC(=O)N1CCC[N@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1 ZINC000378496682 558569563 /nfs/dbraw/zinc/56/95/63/558569563.db2.gz LVOTVSMFZUBCCB-UHFFFAOYSA-N 1 0 351.454 2.403 20 30 FEEDRO Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N3C[C@@H](C)[N@H+](C)[C@@H](C)C3)C2)n1 ZINC000408170277 558652848 /nfs/dbraw/zinc/65/28/48/558652848.db2.gz WJPZRCIKMWRQNL-JZXOWHBKSA-N 1 0 355.486 2.029 20 30 FEEDRO CC[N@H+](CCC1CCN(S(=O)(=O)N(C)C[C@@H](C)C#N)CC1)CC1CC1 ZINC000409482848 558696111 /nfs/dbraw/zinc/69/61/11/558696111.db2.gz HBVRLLFKJFAXHQ-INIZCTEOSA-N 1 0 370.563 2.157 20 30 FEEDRO CCN(C[C@H](C)C#N)S(=O)(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000409554798 558702828 /nfs/dbraw/zinc/70/28/28/558702828.db2.gz UHHIKOMMKZXTET-QGZVFWFLSA-N 1 0 370.563 2.491 20 30 FEEDRO Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)[C@H](C)n1cnc(C#N)n1 ZINC000409598212 558706657 /nfs/dbraw/zinc/70/66/57/558706657.db2.gz CPTLBZGRIYVIHE-AWEZNQCLSA-N 1 0 370.482 2.207 20 30 FEEDRO C[C@@H](C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1)n1cnc(C#N)n1 ZINC000409843309 558722835 /nfs/dbraw/zinc/72/28/35/558722835.db2.gz HHVIMWUTJHGYHD-HNNXBMFYSA-N 1 0 368.441 2.214 20 30 FEEDRO C=CC[C@@H](CO)NC(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2 ZINC000410071663 558737301 /nfs/dbraw/zinc/73/73/01/558737301.db2.gz IDVXSJPQTXARRR-INIZCTEOSA-N 1 0 355.482 2.461 20 30 FEEDRO CCN(CCC#N)S(=O)(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000410125645 558740318 /nfs/dbraw/zinc/74/03/18/558740318.db2.gz ZDWRZEDHNUHTFL-INIZCTEOSA-N 1 0 364.515 2.282 20 30 FEEDRO C=CCCCN(C)C(=O)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000410685792 558798628 /nfs/dbraw/zinc/79/86/28/558798628.db2.gz DYEMVUAJUJRDTP-PMACEKPBSA-N 1 0 369.509 2.392 20 30 FEEDRO C=CCCN(C)C(=O)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000410838627 558815557 /nfs/dbraw/zinc/81/55/57/558815557.db2.gz BKSJIXYSVINIHZ-OALUTQOASA-N 1 0 355.482 2.001 20 30 FEEDRO N#Cc1ccc(OCCNC(=O)[C@H]2CCC[N@H+](Cc3cccnc3)C2)cc1 ZINC000525262197 562244230 /nfs/dbraw/zinc/24/42/30/562244230.db2.gz YSHZGQNUCCYLOM-IBGZPJMESA-N 1 0 364.449 2.360 20 30 FEEDRO CC(C)C(=O)N(C)Cc1ccc(C(=O)NC2(C#N)CC[NH+](C)CC2)cc1 ZINC000525576669 562250398 /nfs/dbraw/zinc/25/03/98/562250398.db2.gz QKCMCCCHIQGLEM-UHFFFAOYSA-N 1 0 356.470 2.019 20 30 FEEDRO C=CC[N@@H+](C)CCN(CC)CC(=O)Nc1cc(C)ccc1-c1n[nH]c(C)n1 ZINC000411634777 558932836 /nfs/dbraw/zinc/93/28/36/558932836.db2.gz AUWDWDINNALJLA-UHFFFAOYSA-N 1 0 370.501 2.467 20 30 FEEDRO CCC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2)CC(N)=O ZINC000411754683 558957010 /nfs/dbraw/zinc/95/70/10/558957010.db2.gz FMZQWSQSKAQRBZ-GFCCVEGCSA-N 1 0 362.499 2.270 20 30 FEEDRO C=C(C)Cn1c(SCC(=O)NC[C@H](C)[NH+](C)C)nnc1-c1ccco1 ZINC000412387588 559032586 /nfs/dbraw/zinc/03/25/86/559032586.db2.gz CCFKKCIFUFFWAP-ZDUSSCGKSA-N 1 0 363.487 2.273 20 30 FEEDRO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1ccnc(C#N)c1 ZINC000412670629 559049566 /nfs/dbraw/zinc/04/95/66/559049566.db2.gz IYPGGIBAQVNSLU-UYAOXDASSA-N 1 0 364.449 2.220 20 30 FEEDRO Cc1cc(N2CCC(C[NH+]3CCN(C)CC3)CC2)c(C#N)cc1[N+](=O)[O-] ZINC000413067044 559074511 /nfs/dbraw/zinc/07/45/11/559074511.db2.gz DMJRFWXLFCMRLU-UHFFFAOYSA-N 1 0 357.458 2.239 20 30 FEEDRO C[C@H](CC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)c1cnn(C)c1 ZINC000413180809 559086094 /nfs/dbraw/zinc/08/60/94/559086094.db2.gz PQRKIPKFSNAFAF-MRXNPFEDSA-N 1 0 353.470 2.376 20 30 FEEDRO N#Cc1nc(NCC2(O)CC[NH+](Cc3ccccc3)CC2)ccc1Cl ZINC000413577788 559118004 /nfs/dbraw/zinc/11/80/04/559118004.db2.gz JUAKWTDVPAUMQE-UHFFFAOYSA-N 1 0 356.857 3.046 20 30 FEEDRO C=CC(C)(C)CNC(=O)NCc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000413584339 559118569 /nfs/dbraw/zinc/11/85/69/559118569.db2.gz DNFRFSZIMIQCRQ-UHFFFAOYSA-N 1 0 372.513 2.395 20 30 FEEDRO Cc1cc(S(=O)(=O)N[C@H]2C[N@@H+](C)C[C@H]2c2ccccc2)ccc1C#N ZINC000414467606 559166314 /nfs/dbraw/zinc/16/63/14/559166314.db2.gz WPNHZCGDFQOWNK-OALUTQOASA-N 1 0 355.463 2.243 20 30 FEEDRO Cc1cc(S(=O)(=O)N[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)ccc1C#N ZINC000414467608 559166477 /nfs/dbraw/zinc/16/64/77/559166477.db2.gz WPNHZCGDFQOWNK-RBUKOAKNSA-N 1 0 355.463 2.243 20 30 FEEDRO CC[NH2+]Cc1cccc(NC(=O)C(=O)N[C@H](C)c2ccc(C#N)cc2)c1 ZINC000414686090 559179454 /nfs/dbraw/zinc/17/94/54/559179454.db2.gz AOTQHQRRVALRIA-CQSZACIVSA-N 1 0 350.422 2.484 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)Nc1ccc2c(c1)CCN2)C(C)C ZINC000414694519 559180339 /nfs/dbraw/zinc/18/03/39/559180339.db2.gz OALYKDVZONBHAB-LJQANCHMSA-N 1 0 370.497 2.408 20 30 FEEDRO N#CCC[C@H](NC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CC2)c1ccccc1 ZINC000414988864 559199149 /nfs/dbraw/zinc/19/91/49/559199149.db2.gz MLFDXQDWCRDNCN-IBGZPJMESA-N 1 0 362.433 2.432 20 30 FEEDRO C[C@H](C#N)CN(C(=O)C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1)C1CC1 ZINC000415151676 559209549 /nfs/dbraw/zinc/20/95/49/559209549.db2.gz AQUCIPPHTZNNNC-SNVBAGLBSA-N 1 0 368.359 2.253 20 30 FEEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CCC(C[NH3+])CC1 ZINC000415299876 559222021 /nfs/dbraw/zinc/22/20/21/559222021.db2.gz IRLOXWBNRQOGIQ-ZDUSSCGKSA-N 1 0 360.483 2.074 20 30 FEEDRO C[C@H]1C[C@H](NC(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)CC[NH2+]1 ZINC000415445510 559237816 /nfs/dbraw/zinc/23/78/16/559237816.db2.gz GUQRFRLSRKYPDC-SMDDNHRTSA-N 1 0 358.833 2.659 20 30 FEEDRO N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)N[C@H]2CCCC[C@@H]2C[NH3+])n1 ZINC000415461823 559239734 /nfs/dbraw/zinc/23/97/34/559239734.db2.gz OQMSZEJOWKSHOB-DOMZBBRYSA-N 1 0 372.860 3.036 20 30 FEEDRO N#Cc1ccc(-n2ccc(NC(=O)N[C@@H]3CCC[C@H]([NH3+])C3)n2)c(Cl)c1 ZINC000415469673 559240676 /nfs/dbraw/zinc/24/06/76/559240676.db2.gz XQYCQQSXRBAREE-QWHCGFSZSA-N 1 0 358.833 2.789 20 30 FEEDRO C[C@@H](CCCC[NH3+])NC(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 ZINC000415469710 559240756 /nfs/dbraw/zinc/24/07/56/559240756.db2.gz XVDLGWDXHOMFDN-LBPRGKRZSA-N 1 0 360.849 3.036 20 30 FEEDRO C[NH2+]CCN(C)C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C ZINC000415545957 559248047 /nfs/dbraw/zinc/24/80/47/559248047.db2.gz LPVKVEAMHXMFJC-UHFFFAOYSA-N 1 0 366.421 2.275 20 30 FEEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000415572975 559251258 /nfs/dbraw/zinc/25/12/58/559251258.db2.gz VAMNYVMQSVBARA-MGPQQGTHSA-N 1 0 360.483 2.086 20 30 FEEDRO CC(C)Oc1ccc(NC(=O)C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)cc1C#N ZINC000415727162 559265429 /nfs/dbraw/zinc/26/54/29/559265429.db2.gz PTHUAGLIWNVERA-SHTZXODSSA-N 1 0 372.469 2.165 20 30 FEEDRO C=C(C)COc1cccc(NC(=O)C(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000415742256 559266662 /nfs/dbraw/zinc/26/66/62/559266662.db2.gz BCFOJPRKHFCWLP-QGZVFWFLSA-N 1 0 371.481 2.428 20 30 FEEDRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 ZINC000415751357 559267611 /nfs/dbraw/zinc/26/76/11/559267611.db2.gz VTNZGWPPRLBUEX-GUYCJALGSA-N 1 0 364.405 2.237 20 30 FEEDRO O=C(Nc1cccc(C#Cc2ccccc2)c1)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000415751096 559267660 /nfs/dbraw/zinc/26/76/60/559267660.db2.gz VOMIKCBPGXFQIX-WOJBJXKFSA-N 1 0 373.456 2.093 20 30 FEEDRO CC(C)[C@@H]1CCc2c(C#N)c(NC(=O)C(=O)N(C)C3CC([NH3+])C3)sc2C1 ZINC000415783750 559270649 /nfs/dbraw/zinc/27/06/49/559270649.db2.gz DCQZHJUYKWCHGF-PNESKVBLSA-N 1 0 374.510 2.267 20 30 FEEDRO N#Cc1ccc(NC(=O)C(=O)NCCC[C@@H]2CCC[NH2+]2)cc1C(F)(F)F ZINC000415807289 559273171 /nfs/dbraw/zinc/27/31/71/559273171.db2.gz QNORCSADFNZWLE-LBPRGKRZSA-N 1 0 368.359 2.164 20 30 FEEDRO N#Cc1ccc(NC(=O)C(=O)NC[C@H]2CCC[C@H]([NH3+])C2)cc1C(F)(F)F ZINC000415811697 559273849 /nfs/dbraw/zinc/27/38/49/559273849.db2.gz PAWNRFSQCILBPY-JQWIXIFHSA-N 1 0 368.359 2.149 20 30 FEEDRO N#CCc1ccc(NC(=O)C(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c(Cl)c1 ZINC000415858708 559279155 /nfs/dbraw/zinc/27/91/55/559279155.db2.gz UCCAIDHLVMLVQO-GJZGRUSLSA-N 1 0 374.872 2.193 20 30 FEEDRO O=C(Nc1ccccc1C#Cc1ccccc1)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000415868621 559280095 /nfs/dbraw/zinc/28/00/95/559280095.db2.gz METFFSBOHKYKKB-VQTJNVASSA-N 1 0 373.456 2.093 20 30 FEEDRO N#Cc1ccccc1N1CCN(C(=O)Nc2ccc(OCC[NH3+])cc2)CC1 ZINC000415937771 559283351 /nfs/dbraw/zinc/28/33/51/559283351.db2.gz NYLVTMCHULVWOI-UHFFFAOYSA-N 1 0 365.437 2.250 20 30 FEEDRO CN(C(C)(C)C[NH+]1CCCC1)S(=O)(=O)Cc1ccc(F)cc1C#N ZINC000416661263 559328414 /nfs/dbraw/zinc/32/84/14/559328414.db2.gz MCZCKQQMAATANM-UHFFFAOYSA-N 1 0 353.463 2.333 20 30 FEEDRO C=CCN(C(=O)N[C@H]1CC[N@@H+](CC)C1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000416735085 559330572 /nfs/dbraw/zinc/33/05/72/559330572.db2.gz PVNCRHABAGULOA-WBVHZDCISA-N 1 0 369.473 2.015 20 30 FEEDRO N#Cc1ccc(N2CCC[C@@H](NC(=O)NCCC[NH2+]C3CC3)C2)c(F)c1 ZINC000417579187 559367445 /nfs/dbraw/zinc/36/74/45/559367445.db2.gz OZNGOFFLRMOAEX-MRXNPFEDSA-N 1 0 359.449 2.107 20 30 FEEDRO CCC([NH3+])(CC)CNC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000417579873 559367566 /nfs/dbraw/zinc/36/75/66/559367566.db2.gz QDJYRBLOKBAKLK-HNNXBMFYSA-N 1 0 361.465 2.483 20 30 FEEDRO C=C(C)[C@@H](NC(=O)NCCCN1CC[NH2+]CC1)c1ccc(F)c(F)c1 ZINC000418037870 559387491 /nfs/dbraw/zinc/38/74/91/559387491.db2.gz XWRGILGAYVSACQ-QGZVFWFLSA-N 1 0 352.429 2.177 20 30 FEEDRO N#Cc1ccc(N2CCN(C(=O)NCC[NH2+]C3CCCCCC3)CC2)nc1 ZINC000418446646 559401846 /nfs/dbraw/zinc/40/18/46/559401846.db2.gz OLEJXBVVYVEVMD-UHFFFAOYSA-N 1 0 370.501 2.097 20 30 FEEDRO N#C[C@@H]1CN(C(=O)NC[C@H]([NH3+])c2ccccc2)CCN1Cc1ccccc1 ZINC000418456543 559402353 /nfs/dbraw/zinc/40/23/53/559402353.db2.gz TVKXRVFIWRKAJC-UXHICEINSA-N 1 0 363.465 2.106 20 30 FEEDRO C[C@@H]1CN(C(=O)N[C@H]2CCCc3cc(C#N)ccc32)[C@@H](C)C[N@@H+]1CCO ZINC000419622011 559450260 /nfs/dbraw/zinc/45/02/60/559450260.db2.gz SHLQKVKJMMVUMN-VCBZYWHSSA-N 1 0 356.470 2.032 20 30 FEEDRO CN(CCCN1CC[NH+](C)CC1)C(=O)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000419645329 559451473 /nfs/dbraw/zinc/45/14/73/559451473.db2.gz PKRFCRUPMXRDGW-FQEVSTJZSA-N 1 0 369.513 2.215 20 30 FEEDRO C=C(C)[C@@H](NC(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)c1ccc(F)c(F)c1 ZINC000419678511 559453500 /nfs/dbraw/zinc/45/35/00/559453500.db2.gz OFTQKZWTOZEDPA-JKIFEVAISA-N 1 0 363.408 2.051 20 30 FEEDRO C=C(C)[C@H](NC(=O)C(=O)N1CCC[C@H](C)[C@@H]1C[NH3+])c1ccc(F)c(F)c1 ZINC000419684475 559453987 /nfs/dbraw/zinc/45/39/87/559453987.db2.gz WJZHTDRFJRATCI-ZLIFDBKOSA-N 1 0 365.424 2.284 20 30 FEEDRO C=C(C)[C@H](NC(=O)C(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+])c1ccc(F)c(F)c1 ZINC000419684464 559454043 /nfs/dbraw/zinc/45/40/43/559454043.db2.gz WJZHTDRFJRATCI-DQYPLSBCSA-N 1 0 365.424 2.284 20 30 FEEDRO CCOC(=O)c1c(NC(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)c(C#N)cn1CC ZINC000421172330 559528678 /nfs/dbraw/zinc/52/86/78/559528678.db2.gz JLXUSLXHMJUASV-ZFWWWQNUSA-N 1 0 373.457 2.114 20 30 FEEDRO CCOC(=O)C1CCN(C(=O)C[C@H](C)[NH2+]Cc2ccc(C#N)s2)CC1 ZINC000421347609 559539853 /nfs/dbraw/zinc/53/98/53/559539853.db2.gz CTJAMOUVRQLEHB-ZDUSSCGKSA-N 1 0 363.483 2.290 20 30 FEEDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 ZINC000421710879 559550450 /nfs/dbraw/zinc/55/04/50/559550450.db2.gz MTSPDYXYEPPZRP-HOCLYGCPSA-N 1 0 374.872 2.117 20 30 FEEDRO C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000422327449 559579057 /nfs/dbraw/zinc/57/90/57/559579057.db2.gz DILHXDRHDZIYLA-IBGZPJMESA-N 1 0 355.482 2.058 20 30 FEEDRO C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000422350088 559580599 /nfs/dbraw/zinc/58/05/99/559580599.db2.gz AEKDXYAYJOGONH-FUHWJXTLSA-N 1 0 359.514 2.383 20 30 FEEDRO C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000422432132 559587858 /nfs/dbraw/zinc/58/78/58/559587858.db2.gz MDFJLWBSPNHTAM-UYAOXDASSA-N 1 0 369.509 2.423 20 30 FEEDRO CC(C)(CC#N)CNC(=O)C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000422482925 559591060 /nfs/dbraw/zinc/59/10/60/559591060.db2.gz UCOCRPVDSDGGPM-QGZVFWFLSA-N 1 0 362.518 2.157 20 30 FEEDRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)NCC(C)(C)CC#N ZINC000422493173 559591798 /nfs/dbraw/zinc/59/17/98/559591798.db2.gz XTPOTESQUBYCLO-GOSISDBHSA-N 1 0 370.497 2.023 20 30 FEEDRO C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000422533430 559593436 /nfs/dbraw/zinc/59/34/36/559593436.db2.gz XHHCEIGMUZFZAF-UHOSZYNNSA-N 1 0 357.498 2.089 20 30 FEEDRO C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CC[C@H](C[N@@H+](C)CC)C1 ZINC000422543885 559594021 /nfs/dbraw/zinc/59/40/21/559594021.db2.gz PSAKUQYWARZEPR-MOPGFXCFSA-N 1 0 357.498 2.090 20 30 FEEDRO C=CCN(Cc1ccccc1)C(=O)C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000423121206 559620050 /nfs/dbraw/zinc/62/00/50/559620050.db2.gz IGFINPXZTWOISC-UHFFFAOYSA-N 1 0 355.482 2.193 20 30 FEEDRO C=CCN(CCc1ccccc1)C(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000423188200 559622398 /nfs/dbraw/zinc/62/23/98/559622398.db2.gz NGOIYZACKWCFTF-FQEVSTJZSA-N 1 0 369.509 2.234 20 30 FEEDRO C=CCN(CCc1ccccc1)C(=O)C(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000423188534 559622464 /nfs/dbraw/zinc/62/24/64/559622464.db2.gz NYTLBZSRRNFDFZ-PMACEKPBSA-N 1 0 369.509 2.092 20 30 FEEDRO C=C(C)CN(Cc1ccccc1)C(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000423371972 559626989 /nfs/dbraw/zinc/62/69/89/559626989.db2.gz QRDKQDMGRVENAM-OTWHNJEPSA-N 1 0 355.482 2.177 20 30 FEEDRO C=C(C)CN(Cc1ccccc1)C(=O)C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000423377605 559627134 /nfs/dbraw/zinc/62/71/34/559627134.db2.gz VSPCBSGZEYYRHH-NRFANRHFSA-N 1 0 355.482 2.193 20 30 FEEDRO COC(=O)c1ccc(NC(=O)[C@H]([NH3+])CCCC#N)c(OCC(F)(F)F)c1 ZINC000424112369 559655175 /nfs/dbraw/zinc/65/51/75/559655175.db2.gz JJZSIECRCGNGJH-LLVKDONJSA-N 1 0 373.331 2.374 20 30 FEEDRO CCCCS(=O)(=O)Nc1ccc(NC(=O)[C@H]([NH3+])CCCC#N)cc1 ZINC000424129552 559655704 /nfs/dbraw/zinc/65/57/04/559655704.db2.gz SDSPQQBCXODLAR-OAHLLOKOSA-N 1 0 352.460 2.188 20 30 FEEDRO C[C@H](c1ccc(F)cc1F)N1CCN(C(=O)[C@@H]([NH3+])CCCC#N)CC1 ZINC000424153178 559656200 /nfs/dbraw/zinc/65/62/00/559656200.db2.gz JREPQZVMFNJLAH-DYVFJYSZSA-N 1 0 350.413 2.191 20 30 FEEDRO C=CCCn1cc(C(=O)N[C@@H]2C[NH2+]CC[C@H]2c2ccc(F)c(F)c2)nn1 ZINC000424150359 559656237 /nfs/dbraw/zinc/65/62/37/559656237.db2.gz DGLILNFZHXZGIX-XJKSGUPXSA-N 1 0 361.396 2.008 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000424933117 559680323 /nfs/dbraw/zinc/68/03/23/559680323.db2.gz PMPRVMGXQNTCRD-PMACEKPBSA-N 1 0 358.482 2.212 20 30 FEEDRO C[C@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000425378866 559698931 /nfs/dbraw/zinc/69/89/31/559698931.db2.gz BYYNFWNHYRZXTM-MRXNPFEDSA-N 1 0 368.481 2.164 20 30 FEEDRO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)N(C)CCC[NH+]1CCCC1 ZINC000425383084 559699125 /nfs/dbraw/zinc/69/91/25/559699125.db2.gz JTSSRICCBVMWFC-INIZCTEOSA-N 1 0 356.470 2.022 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@H](C(CC)CC)[NH+]1CCOCC1 ZINC000425394762 559699940 /nfs/dbraw/zinc/69/99/40/559699940.db2.gz GCDWHQHBVUSCSK-KSZLIROESA-N 1 0 353.507 2.014 20 30 FEEDRO C=CCn1cc(CNC(=O)NC[C@@H](c2ccccc2)[NH+](CC)CC)nn1 ZINC000425400670 559700192 /nfs/dbraw/zinc/70/01/92/559700192.db2.gz CXDXBNYHYRUWMP-SFHVURJKSA-N 1 0 356.474 2.346 20 30 FEEDRO CCOC(=O)[C@H]1CCCCN1C(=O)CN(C)[C@@H](C)c1cccc(C#N)c1 ZINC000425543036 559708850 /nfs/dbraw/zinc/70/88/50/559708850.db2.gz RKKKNOUTYMHTPU-MAUKXSAKSA-N 1 0 357.454 2.495 20 30 FEEDRO C[NH+](C)C1(CNC(=O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CCC1 ZINC000527330165 562285626 /nfs/dbraw/zinc/28/56/26/562285626.db2.gz JYPHDWXQJJXRPW-UHFFFAOYSA-N 1 0 368.359 2.116 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)Nc1ccc(C[NH+](CC)CC)cc1 ZINC000425795977 559719996 /nfs/dbraw/zinc/71/99/96/559719996.db2.gz MORJTFAZMHXYRS-WMZOPIPTSA-N 1 0 359.470 2.174 20 30 FEEDRO CC[NH+](CC)CCOc1ccc(NC(=O)C(=O)N[C@@H]2CC[C@H](C#N)C2)cc1 ZINC000425800459 559720256 /nfs/dbraw/zinc/72/02/56/559720256.db2.gz FCUDVJZVSFATRF-DOTOQJQBSA-N 1 0 372.469 2.154 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC(=O)N[C@@H]2CCCC[C@H]21)C(C)C ZINC000426026666 559727943 /nfs/dbraw/zinc/72/79/43/559727943.db2.gz BPTQTLKFYURONX-KZNAEPCWSA-N 1 0 362.518 2.138 20 30 FEEDRO C[N@@H+]1CCC[C@H]1CNC(=O)NC1CCC(Oc2ncccc2C#N)CC1 ZINC000527335319 562285708 /nfs/dbraw/zinc/28/57/08/562285708.db2.gz XWZNJIDWBRJTLA-CGZBRXJRSA-N 1 0 357.458 2.037 20 30 FEEDRO C=CC[C@H](C)[C@@H](C)[NH2+]C1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 ZINC000428411765 559775113 /nfs/dbraw/zinc/77/51/13/559775113.db2.gz FWZMKKCBJJTZDD-UONOGXRCSA-N 1 0 366.483 2.021 20 30 FEEDRO N#CC1(CCC[NH+]2CCC3(CC2)CCS(=O)(=O)CC3)CCOCC1 ZINC000428682428 559781027 /nfs/dbraw/zinc/78/10/27/559781027.db2.gz BTOCVLCJRLLLMH-UHFFFAOYSA-N 1 0 354.516 2.378 20 30 FEEDRO N#Cc1ccc(O[C@H]2CC[N@@H+](C[C@@H](O)COc3ccc(Cl)cc3)C2)nc1 ZINC000428792493 559783425 /nfs/dbraw/zinc/78/34/25/559783425.db2.gz XBMAKMUDVUABQG-AEFFLSMTSA-N 1 0 373.840 2.500 20 30 FEEDRO C[C@H]([NH2+]CC1(CC#N)CC1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000430738277 559827403 /nfs/dbraw/zinc/82/74/03/559827403.db2.gz AMYZKEKRBKQFKJ-HNNXBMFYSA-N 1 0 363.483 2.052 20 30 FEEDRO C=CCc1ccccc1OC[C@H](O)C[NH2+][C@H]1CCO[C@@H]1c1cnn(C)c1C ZINC000431966713 559849543 /nfs/dbraw/zinc/84/95/43/559849543.db2.gz WSJPBRBFGJCCMW-SLYNCCJLSA-N 1 0 371.481 2.317 20 30 FEEDRO C[NH+](C)C1(CNS(=O)(=O)c2ccc(C#N)c(Br)c2)CCC1 ZINC000433356270 559878246 /nfs/dbraw/zinc/87/82/46/559878246.db2.gz SRXPSRUBKHXRMR-UHFFFAOYSA-N 1 0 372.288 2.083 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@H]([C@H](O)C(F)(F)F)C2)CC1 ZINC000433606009 559884863 /nfs/dbraw/zinc/88/48/63/559884863.db2.gz FHEWKXKHSWMRRB-ZFWWWQNUSA-N 1 0 363.424 2.372 20 30 FEEDRO CCOCCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccc(C#N)s2)[C@H](C)C1 ZINC000435436742 559923031 /nfs/dbraw/zinc/92/30/31/559923031.db2.gz GTLMDWDEFXBEOC-UKRRQHHQSA-N 1 0 371.528 2.035 20 30 FEEDRO C=CCN(CC=C)C(=O)CN(Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000435681226 559927883 /nfs/dbraw/zinc/92/78/83/559927883.db2.gz APWOEVGPXWSSLS-INIZCTEOSA-N 1 0 360.527 2.288 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1cc(Cl)c(OCC(N)=O)c(OC)c1 ZINC000435752168 559929581 /nfs/dbraw/zinc/92/95/81/559929581.db2.gz WNOMHYVYRZPOKJ-DYVFJYSZSA-N 1 0 368.861 2.284 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@H]1CC[N@@H+](CCCOCC)C[C@@H]1C ZINC000437735058 559968733 /nfs/dbraw/zinc/96/87/33/559968733.db2.gz JGHIODUNYDBQSP-RDGPPVDQSA-N 1 0 367.534 2.404 20 30 FEEDRO CC[C@@H](CNC(=O)N=c1ccn(CCC#N)[nH]1)[N@@H+]1CCc2ccccc2C1 ZINC000438334629 559977555 /nfs/dbraw/zinc/97/75/55/559977555.db2.gz YVGDDYKGWLKWTA-SFHVURJKSA-N 1 0 366.469 2.755 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CC[N@H+](CCOC)[C@H](CCC)C1 ZINC000438442204 559979172 /nfs/dbraw/zinc/97/91/72/559979172.db2.gz JDTPDKMZXJLMQA-KURKYZTESA-N 1 0 353.507 2.110 20 30 FEEDRO C[C@@H](NC(=O)C(=O)Nc1ccc(C#N)cc1F)[C@@H](c1ccccc1)[NH+](C)C ZINC000441716523 560038221 /nfs/dbraw/zinc/03/82/21/560038221.db2.gz ODCLPTKALARGCF-ACJLOTCBSA-N 1 0 368.412 2.443 20 30 FEEDRO CCC[N@H+](CC)CCNS(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000443471875 560084593 /nfs/dbraw/zinc/08/45/93/560084593.db2.gz GAXNZZRQVKVIPN-UHFFFAOYSA-N 1 0 374.304 2.331 20 30 FEEDRO C=CC[C@@H]1[N@H+](CC(=O)c2c(N)n(CCC)c(=O)[nH]c2=O)CCCC1(C)C ZINC000444774648 560120421 /nfs/dbraw/zinc/12/04/21/560120421.db2.gz JYADLQVMOBHNAK-AWEZNQCLSA-N 1 0 362.474 2.191 20 30 FEEDRO CC1(C)CCC[N@H+](CCNC(=O)C(=O)Nc2cc(C#N)ccc2Cl)C1 ZINC000447424672 560162015 /nfs/dbraw/zinc/16/20/15/560162015.db2.gz XPYLABWSFNXMKN-UHFFFAOYSA-N 1 0 362.861 2.388 20 30 FEEDRO COc1ccc(CC(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)nc1 ZINC000447481020 560162930 /nfs/dbraw/zinc/16/29/30/560162930.db2.gz IFEMOGDEJQORRM-UHFFFAOYSA-N 1 0 352.438 2.095 20 30 FEEDRO CC[NH+]1CCC(NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1 ZINC000448601505 560192148 /nfs/dbraw/zinc/19/21/48/560192148.db2.gz UQXXBXYDHNJMMQ-AWEZNQCLSA-N 1 0 374.872 2.165 20 30 FEEDRO C[C@@H]1C[C@@]1(C#N)C(=O)NCCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000448739084 560197286 /nfs/dbraw/zinc/19/72/86/560197286.db2.gz SHOOGDGUORNWNR-NQIIRXRSSA-N 1 0 354.498 2.250 20 30 FEEDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)c1ccc(C#N)n1C ZINC000448951015 560208534 /nfs/dbraw/zinc/20/85/34/560208534.db2.gz OLNWIFXRNPFIGL-SFHVURJKSA-N 1 0 351.454 2.418 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1ccc(OCC(=O)N2CCCC2)c(OC)c1 ZINC000449518395 560232547 /nfs/dbraw/zinc/23/25/47/560232547.db2.gz JJPPTFDQJYORRF-SJORKVTESA-N 1 0 360.454 2.130 20 30 FEEDRO C[NH+]1CCC(CNC(=O)COc2cccc(Br)c2C#N)CC1 ZINC000449825374 560241493 /nfs/dbraw/zinc/24/14/93/560241493.db2.gz BOQXWFAIHZEAAG-UHFFFAOYSA-N 1 0 366.259 2.158 20 30 FEEDRO C[NH+](C)C[C@H]1CCCN1C(=O)COc1ccc(C#N)c(Br)c1 ZINC000449830211 560241735 /nfs/dbraw/zinc/24/17/35/560241735.db2.gz WTKCZCWAKDVTJX-CYBMUJFWSA-N 1 0 366.259 2.252 20 30 FEEDRO C[C@@H]1C[C@H](NC(=O)COc2cccc(Br)c2C#N)CC[N@@H+]1C ZINC000449938647 560245843 /nfs/dbraw/zinc/24/58/43/560245843.db2.gz GLZJPYAZUYYHLT-VXGBXAGGSA-N 1 0 366.259 2.298 20 30 FEEDRO CC(=O)N1CCC[N@H+](C[C@H]2CCCN(c3cc(C#N)cc(C)n3)C2)CC1 ZINC000450770175 560272675 /nfs/dbraw/zinc/27/26/75/560272675.db2.gz IGBABKUFMHJJDW-GOSISDBHSA-N 1 0 355.486 2.032 20 30 FEEDRO N#Cc1cnn(CC(=O)N2CC[NH+](Cc3cccc4ccccc43)CC2)c1 ZINC000450947434 560279545 /nfs/dbraw/zinc/27/95/45/560279545.db2.gz BTFRZXDTRSWABJ-UHFFFAOYSA-N 1 0 359.433 2.252 20 30 FEEDRO C[NH+](C)C1(CNC(=O)COc2ccc(C#N)c(Br)c2)CCC1 ZINC000450997516 560281723 /nfs/dbraw/zinc/28/17/23/560281723.db2.gz GDFGPIVPJMCFIZ-UHFFFAOYSA-N 1 0 366.259 2.300 20 30 FEEDRO C[NH+](C)C1(CNC(=O)COc2cccc(Br)c2C#N)CCC1 ZINC000450997682 560281730 /nfs/dbraw/zinc/28/17/30/560281730.db2.gz GPEXHZVSSMOLTF-UHFFFAOYSA-N 1 0 366.259 2.300 20 30 FEEDRO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@@H](CO)[C@@H]2CC)cc1 ZINC000451257694 560296328 /nfs/dbraw/zinc/29/63/28/560296328.db2.gz VUEPAEVTPPFIRF-LPHOPBHVSA-N 1 0 359.470 2.425 20 30 FEEDRO Cn1c(C#N)ccc1C(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000451544781 560313636 /nfs/dbraw/zinc/31/36/36/560313636.db2.gz FSVSCMAIOTYQIU-UHFFFAOYSA-N 1 0 352.438 2.300 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]CC(=O)Nc1sc2c(c1C(=O)OC)CCCC2 ZINC000451603791 560316977 /nfs/dbraw/zinc/31/69/77/560316977.db2.gz DSZZKCCHULWJIG-OLZOCXBDSA-N 1 0 364.467 2.285 20 30 FEEDRO CN(CC(=O)N[C@@](C)(C#N)C1CC1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000452107628 560351805 /nfs/dbraw/zinc/35/18/05/560351805.db2.gz BUSUUZFBEZCFGK-INIZCTEOSA-N 1 0 360.424 2.143 20 30 FEEDRO Cc1cc(C#N)cc(NC(=O)C(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000453616899 560391506 /nfs/dbraw/zinc/39/15/06/560391506.db2.gz HLRGLCKFGFXEAT-CQSZACIVSA-N 1 0 356.470 2.432 20 30 FEEDRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)Nc1ccc(CC#N)cc1Cl ZINC000453709974 560398704 /nfs/dbraw/zinc/39/87/04/560398704.db2.gz MTCGAFIUDKWLOH-CQSZACIVSA-N 1 0 362.861 2.145 20 30 FEEDRO C[NH+](C)CC(C)(C)NC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 ZINC000455107890 560470480 /nfs/dbraw/zinc/47/04/80/560470480.db2.gz OEDAPKAIKUEYAU-UHFFFAOYSA-N 1 0 360.849 2.859 20 30 FEEDRO C=C(C)CCNC(=O)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000455309758 560477413 /nfs/dbraw/zinc/47/74/13/560477413.db2.gz LRBCOQMIZPDFAY-GOSISDBHSA-N 1 0 358.486 2.149 20 30 FEEDRO C=CCN1CC[C@H](N(C)C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)C1=O ZINC000455835248 560496861 /nfs/dbraw/zinc/49/68/61/560496861.db2.gz AAHUDBFSGABQNP-ROUUACIJSA-N 1 0 356.470 2.486 20 30 FEEDRO C[C@H](Cc1cnn(C)c1)C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000457694413 560582253 /nfs/dbraw/zinc/58/22/53/560582253.db2.gz PYJGSIGSFCXWQX-QGZVFWFLSA-N 1 0 365.481 2.273 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N2C[C@@H](c3ccccc3)[C@](F)(CO)C2)CC1 ZINC000458331019 560615289 /nfs/dbraw/zinc/61/52/89/560615289.db2.gz HKJGYTPCNVKMCS-AZUAARDMSA-N 1 0 361.461 2.146 20 30 FEEDRO C=C(CC)CNC(=O)N1CCC(C(=O)NCCC[NH+](CC)CC)CC1 ZINC000459075945 560665277 /nfs/dbraw/zinc/66/52/77/560665277.db2.gz MAMAEPMUAJYBKY-UHFFFAOYSA-N 1 0 352.523 2.222 20 30 FEEDRO COCC[N@H+](CCC(=O)Nc1ccccc1C#N)Cc1c(C)nn(C)c1C ZINC000459571853 560695051 /nfs/dbraw/zinc/69/50/51/560695051.db2.gz QAOYFJDDUPVKHU-UHFFFAOYSA-N 1 0 369.469 2.386 20 30 FEEDRO CC(C)(C)OC(=O)[C@@]1(C)CC[N@H+](C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000459585178 560696084 /nfs/dbraw/zinc/69/60/84/560696084.db2.gz OUGWQIQOQJXVAU-UZLBHIALSA-N 1 0 360.454 2.352 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000459873362 560715590 /nfs/dbraw/zinc/71/55/90/560715590.db2.gz WVTLNQDTRRHIFW-INIZCTEOSA-N 1 0 361.511 2.350 20 30 FEEDRO CCn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000460241145 560739030 /nfs/dbraw/zinc/73/90/30/560739030.db2.gz VPXDETIKBGNVLQ-QGZVFWFLSA-N 1 0 366.469 2.422 20 30 FEEDRO C=C(C)Cn1c(C(=O)NC(C)C)nnc1N(C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000460953771 560757057 /nfs/dbraw/zinc/75/70/57/560757057.db2.gz ULLGHPMSLSEOGC-JKSUJKDBSA-N 1 0 362.522 2.159 20 30 FEEDRO CC[NH+](CC)CCOc1ccc(NC(=O)C(=O)N[C@@H]2CCC[C@@H]2C#N)cc1 ZINC000461782413 560783270 /nfs/dbraw/zinc/78/32/70/560783270.db2.gz CBUFOGKOSUHTTO-CRAIPNDOSA-N 1 0 372.469 2.154 20 30 FEEDRO N#C[C@H]1CCC[C@@H]1NC(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000461954024 560789542 /nfs/dbraw/zinc/78/95/42/560789542.db2.gz FKLNRRPYHVSYAA-MJGOQNOKSA-N 1 0 356.470 2.135 20 30 FEEDRO COCC[N@H+](C)CCOc1cccc(CNC(=O)N[C@H]2CCC[C@H]2C#N)c1 ZINC000461960235 560789768 /nfs/dbraw/zinc/78/97/68/560789768.db2.gz SXSKLKJVDDREBZ-HKUYNNGSSA-N 1 0 374.485 2.135 20 30 FEEDRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)N[C@H]2CCC[C@@H]2C#N)CC1 ZINC000461962767 560789920 /nfs/dbraw/zinc/78/99/20/560789920.db2.gz GZCVCUOPCKTHSC-XLIONFOSSA-N 1 0 369.513 2.316 20 30 FEEDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000462094488 560796789 /nfs/dbraw/zinc/79/67/89/560796789.db2.gz BHQHAZFAEHKENB-AWEZNQCLSA-N 1 0 367.457 2.333 20 30 FEEDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)N1CC(Oc2ccc(C#N)cc2)C1 ZINC000462139726 560798867 /nfs/dbraw/zinc/79/88/67/560798867.db2.gz ZCJVCXZOAJLKEF-HOTGVXAUSA-N 1 0 356.470 2.451 20 30 FEEDRO C[C@H](C(=O)NC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1)c1cccc(C#N)c1 ZINC000462270434 560803841 /nfs/dbraw/zinc/80/38/41/560803841.db2.gz NSDKBQBDODGHMZ-ORYQWCPZSA-N 1 0 363.461 2.413 20 30 FEEDRO N#Cc1cc(Cl)ccc1S(=O)(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000462287538 560804623 /nfs/dbraw/zinc/80/46/23/560804623.db2.gz HUUZXHKLFZXYTQ-OAHLLOKOSA-N 1 0 353.875 2.461 20 30 FEEDRO CCOCC[N@@H+]1CCN(C(=O)NCc2ccc(C#N)c(OC)c2)C[C@H]1CC ZINC000462468980 560811335 /nfs/dbraw/zinc/81/13/35/560811335.db2.gz AATQJIRRVCPFSA-GOSISDBHSA-N 1 0 374.485 2.209 20 30 FEEDRO COC(=O)[C@@H](C)[C@@H]([NH2+]CC(=O)NCc1cccc(C#N)c1)c1ccccc1 ZINC000464873811 560854117 /nfs/dbraw/zinc/85/41/17/560854117.db2.gz HXQYRIOUJAJDGQ-MGPUTAFESA-N 1 0 365.433 2.314 20 30 FEEDRO COC(=O)[C@@H](C)[C@@H]([NH2+]CC(=O)NCc1ccc(C#N)cc1)c1ccccc1 ZINC000464887531 560854733 /nfs/dbraw/zinc/85/47/33/560854733.db2.gz NPVIXQFMSKHFFG-MGPUTAFESA-N 1 0 365.433 2.314 20 30 FEEDRO N#Cc1ccc(C[NH2+]CCCNS(=O)(=O)c2ccccc2Cl)o1 ZINC000466381963 560885515 /nfs/dbraw/zinc/88/55/15/560885515.db2.gz JSRSMSWJEZLWSR-UHFFFAOYSA-N 1 0 353.831 2.263 20 30 FEEDRO C[C@H](c1ccccc1)[N@H+](CCC(=O)Nc1cccc(C#N)c1)CC(N)=O ZINC000466680242 560892762 /nfs/dbraw/zinc/89/27/62/560892762.db2.gz QRUIYBJUSXQMEV-OAHLLOKOSA-N 1 0 350.422 2.435 20 30 FEEDRO CC[NH+]1CCN(CC(=O)N[C@H](C#N)c2cccc(C(F)(F)F)c2)CC1 ZINC000469089723 560946938 /nfs/dbraw/zinc/94/69/38/560946938.db2.gz XLNZDQIKBFUFHN-OAHLLOKOSA-N 1 0 354.376 2.024 20 30 FEEDRO C=C[C@](C)(O)CC(=O)NCCCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000469515364 560956791 /nfs/dbraw/zinc/95/67/91/560956791.db2.gz LZBIBERUJJWABZ-NRFANRHFSA-N 1 0 359.514 2.341 20 30 FEEDRO CCN(C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)NC2(C#N)CCC2)C1)CC(F)(F)F ZINC000469720582 560962804 /nfs/dbraw/zinc/96/28/04/560962804.db2.gz IVZJCQGTWMJEEK-KBPBESRZSA-N 1 0 360.424 2.143 20 30 FEEDRO Cn1ncc(C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)c1C#N ZINC000469825384 560965547 /nfs/dbraw/zinc/96/55/47/560965547.db2.gz SJZQWRGNDRHNFK-UHFFFAOYSA-N 1 0 357.845 2.340 20 30 FEEDRO CCOCCOCC[N@H+](C)[C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000469851516 560966647 /nfs/dbraw/zinc/96/66/47/560966647.db2.gz IWDZOBTWCRHZJO-HFCFLWKCSA-N 1 0 353.507 2.291 20 30 FEEDRO COC(=O)[C@@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)[C@@H]1C ZINC000469998852 560971430 /nfs/dbraw/zinc/97/14/30/560971430.db2.gz HVHJGAIMBUUTPC-VXGBXAGGSA-N 1 0 361.467 2.320 20 30 FEEDRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000470211631 560976647 /nfs/dbraw/zinc/97/66/47/560976647.db2.gz KDIZWLNZXHTJMD-CQSZACIVSA-N 1 0 374.872 2.340 20 30 FEEDRO Cc1nc(C#N)c(N2CCC(C(=O)N3CCC([NH+]4CCCC4)CC3)CC2)o1 ZINC000473343456 561047963 /nfs/dbraw/zinc/04/79/63/561047963.db2.gz IPTRJOIYHWFYKB-UHFFFAOYSA-N 1 0 371.485 2.158 20 30 FEEDRO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H]1CCCN(c2nc(C)ccc2C#N)C1 ZINC000473506725 561051463 /nfs/dbraw/zinc/05/14/63/561051463.db2.gz NOXOYDFCBBZBOG-RTBURBONSA-N 1 0 369.513 2.421 20 30 FEEDRO CCN1CC[NH+](C[C@H](C)CNC(=O)C[C@@H](CC#N)c2ccccc2)CC1 ZINC000476041409 561110073 /nfs/dbraw/zinc/11/00/73/561110073.db2.gz MXFXHBRXLAEYIT-UYAOXDASSA-N 1 0 356.514 2.464 20 30 FEEDRO N#Cc1ccccc1OC[C@@H](O)CN1CC[NH+](CCc2ccccc2)CC1 ZINC000528338174 562323575 /nfs/dbraw/zinc/32/35/75/562323575.db2.gz GRDFFGBKGIEJBS-NRFANRHFSA-N 1 0 365.477 2.158 20 30 FEEDRO N#Cc1ccccc1OC[C@H](O)C[NH+]1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000528399552 562326873 /nfs/dbraw/zinc/32/68/73/562326873.db2.gz WQVNURGYUATFEN-QUCCMNQESA-N 1 0 374.481 2.348 20 30 FEEDRO N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000528427471 562328814 /nfs/dbraw/zinc/32/88/14/562328814.db2.gz ZEUNUTBHPKYYHF-FUHWJXTLSA-N 1 0 367.453 2.104 20 30 FEEDRO N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000528438817 562329361 /nfs/dbraw/zinc/32/93/61/562329361.db2.gz NFFYUHXHLIQMKY-QUCCMNQESA-N 1 0 356.397 2.031 20 30 FEEDRO Cc1noc(C)c1CO[C@H]1CC[N@H+](C[C@@H](O)COc2ccccc2C#N)C1 ZINC000528447032 562329856 /nfs/dbraw/zinc/32/98/56/562329856.db2.gz CNAVDMBEZVVXHT-MSOLQXFVSA-N 1 0 371.437 2.194 20 30 FEEDRO O=C1c2ccccc2C(=O)N1CC#CCN1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000528504138 562332853 /nfs/dbraw/zinc/33/28/53/562332853.db2.gz BPYHFAONGNIAMU-MOPGFXCFSA-N 1 0 364.445 2.320 20 30 FEEDRO O=C1c2ccccc2C(=O)N1CC#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000528534681 562334757 /nfs/dbraw/zinc/33/47/57/562334757.db2.gz CZMUMGVZXVZRNJ-VQIMIIECSA-N 1 0 352.434 2.177 20 30 FEEDRO N#Cc1cc(F)ccc1CS(=O)(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000528551783 562335765 /nfs/dbraw/zinc/33/57/65/562335765.db2.gz PFOXVXHUIXZVLH-KRWDZBQOSA-N 1 0 351.447 2.134 20 30 FEEDRO CC(C)[C@H](C#N)N1CCN(C(=O)C[NH2+][C@@H](c2ccccn2)C2CCC2)CC1 ZINC000528654308 562340538 /nfs/dbraw/zinc/34/05/38/562340538.db2.gz BOLOQUMZBSVNAB-PZJWPPBQSA-N 1 0 369.513 2.205 20 30 FEEDRO COCc1ccc(NC(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cc1C#N ZINC000529212078 562365051 /nfs/dbraw/zinc/36/50/51/562365051.db2.gz MYLKHEZGUFTORY-MOPGFXCFSA-N 1 0 372.469 2.204 20 30 FEEDRO CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@H]1CCCN(O)C1=O ZINC000529426954 562373531 /nfs/dbraw/zinc/37/35/31/562373531.db2.gz JFROEWFZZPBIFL-KURKYZTESA-N 1 0 359.470 2.031 20 30 FEEDRO COc1ccc(C[N@H+]2C[C@](C)(CO)[C@](C)(CO)C2)cc1OCCCC#N ZINC000529668524 562380693 /nfs/dbraw/zinc/38/06/93/562380693.db2.gz KTSLDTHTCTVLAU-BGYRXZFFSA-N 1 0 362.470 2.191 20 30 FEEDRO N#Cc1ccccc1OC[C@@H](O)C[NH2+][C@@H]1CCN(c2ccc(F)cc2)C1 ZINC000530233034 562403338 /nfs/dbraw/zinc/40/33/38/562403338.db2.gz OBGHMTSLQAWAMZ-MJGOQNOKSA-N 1 0 355.413 2.306 20 30 FEEDRO COc1ccc(CN2CC[C@@H]2C[NH2+]C[C@H](O)c2ccc(C#N)cc2)cc1 ZINC000530239385 562403663 /nfs/dbraw/zinc/40/36/63/562403663.db2.gz FLJBCWKJDJZLLP-CTNGQTDRSA-N 1 0 351.450 2.464 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H]2[C@@H]3Cc4c(cccc4Cl)[C@@H]32)nc1 ZINC000530241626 562403884 /nfs/dbraw/zinc/40/38/84/562403884.db2.gz GFCYCSVMKPFNFM-FHLIZLRMSA-N 1 0 373.865 2.308 20 30 FEEDRO N#Cc1cccc(NC(=O)C2CC[NH+](CCCN3CCCC3=O)CC2)c1 ZINC000532669979 562485191 /nfs/dbraw/zinc/48/51/91/562485191.db2.gz QDIYFCYQVNVQHP-UHFFFAOYSA-N 1 0 354.454 2.221 20 30 FEEDRO C[NH+]1CCC(C#N)(NC(=O)c2cc(N3CCCC3=O)ccc2Cl)CC1 ZINC000535518967 562560305 /nfs/dbraw/zinc/56/03/05/562560305.db2.gz GNFXUDOCKBPTDY-UHFFFAOYSA-N 1 0 360.845 2.185 20 30 FEEDRO C[N@H+](CC1CC1)C[C@@H]1CCN(S(=O)(=O)Cc2cc(C#N)ccc2F)C1 ZINC000536587458 562579808 /nfs/dbraw/zinc/57/98/08/562579808.db2.gz GWVVOYJXHWMDMC-INIZCTEOSA-N 1 0 365.474 2.191 20 30 FEEDRO COc1cc([C@H](C)[NH2+]CC(=O)N[C@](C)(C#N)C2CC2)cc(OC)c1OC ZINC000537022127 562584223 /nfs/dbraw/zinc/58/42/23/562584223.db2.gz YZTCBRKYQXGBRM-HXPMCKFVSA-N 1 0 361.442 2.171 20 30 FEEDRO C=CCOc1ccccc1C[NH2+][C@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC000540686562 562591312 /nfs/dbraw/zinc/59/13/12/562591312.db2.gz PVYVSXVXMOYYGC-WMZOPIPTSA-N 1 0 351.468 2.077 20 30 FEEDRO COc1cc(C[NH+]2CCC(CC#N)CC2)cc(Cl)c1OCC(N)=O ZINC000541920724 562623366 /nfs/dbraw/zinc/62/33/66/562623366.db2.gz MTRIQPUKBMIMQD-UHFFFAOYSA-N 1 0 351.834 2.338 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N1CCS[C@H](C)CC1)C(C)C ZINC000556209905 674392217 /nfs/dbraw/zinc/39/22/17/674392217.db2.gz ZOFVLSKYPXLDIT-SJORKVTESA-N 1 0 367.559 2.155 20 30 FEEDRO Cc1ccc(CN2CC[C@@H]([NH2+]C[C@@H](O)CC3(C#N)CCOCC3)C2)cc1 ZINC000601966398 567889195 /nfs/dbraw/zinc/88/91/95/567889195.db2.gz AJJUGONQMBVOTO-UXHICEINSA-N 1 0 357.498 2.230 20 30 FEEDRO CC(=O)NCC[C@H]1CCC[N@@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000568117469 567890709 /nfs/dbraw/zinc/89/07/09/567890709.db2.gz SFNCXCUVJGSSLC-QUCCMNQESA-N 1 0 368.481 2.292 20 30 FEEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]Cc1cccc(C(=O)N2CCOCC2)c1 ZINC000602520547 567987234 /nfs/dbraw/zinc/98/72/34/567987234.db2.gz HUIITYSWIULCIJ-QGZVFWFLSA-N 1 0 371.481 2.348 20 30 FEEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1CC(=O)N(CCOc2ccccc2)C1 ZINC000602552441 567990842 /nfs/dbraw/zinc/99/08/42/567990842.db2.gz WVUWICAXVXXEOO-QZTJIDSGSA-N 1 0 371.481 2.355 20 30 FEEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]CC(=O)N1CCN(c2ccccc2)CC1 ZINC000602532548 567991951 /nfs/dbraw/zinc/99/19/51/567991951.db2.gz VNWZDPZYTPKRGR-SFHVURJKSA-N 1 0 370.497 2.024 20 30 FEEDRO CC(C)CS(=O)(=O)N1CCC([NH2+][C@H](C)CC2(C#N)CCOCC2)CC1 ZINC000602584517 567994232 /nfs/dbraw/zinc/99/42/32/567994232.db2.gz DJEYAFQIBJGVAO-MRXNPFEDSA-N 1 0 371.547 2.125 20 30 FEEDRO N#Cc1ccc(CNC(=O)C[N@@H+]2CC3(CCC3)[C@@H]2C2CCOCC2)cc1 ZINC000568503775 568039638 /nfs/dbraw/zinc/03/96/38/568039638.db2.gz RTOBZBOPKFLKRB-FQEVSTJZSA-N 1 0 353.466 2.456 20 30 FEEDRO C[C@H]1C[NH+](Cc2ccc(OCc3nccn3C)cc2)C[C@H](C)N1CC#N ZINC000602863180 568050307 /nfs/dbraw/zinc/05/03/07/568050307.db2.gz OZEVKSVMIOUMIG-IRXDYDNUSA-N 1 0 353.470 2.417 20 30 FEEDRO N#CCCN(C(=O)Cn1cc([C@@H]2CCC[NH2+]C2)nn1)c1cccc(Cl)c1 ZINC000603175404 568067941 /nfs/dbraw/zinc/06/79/41/568067941.db2.gz HKKMFYSREHAHJQ-CQSZACIVSA-N 1 0 372.860 2.345 20 30 FEEDRO N#CCCN(C(=O)Cn1cc(C2CC[NH2+]CC2)nn1)c1cccc(Cl)c1 ZINC000603177236 568068192 /nfs/dbraw/zinc/06/81/92/568068192.db2.gz OEPUTOXTTPTASY-UHFFFAOYSA-N 1 0 372.860 2.345 20 30 FEEDRO N#CCSc1ccccc1NC(=O)Cn1cc(C[C@@H]2CCC[NH2+]C2)nn1 ZINC000603178118 568068283 /nfs/dbraw/zinc/06/82/83/568068283.db2.gz QQROKPYCFABMID-AWEZNQCLSA-N 1 0 370.482 2.075 20 30 FEEDRO CN(C(=O)Cn1cc(C[NH2+]C2CCCCC2)nn1)C1(C#N)CCCCC1 ZINC000603178691 568068352 /nfs/dbraw/zinc/06/83/52/568068352.db2.gz IWGMNECGCOQHKE-UHFFFAOYSA-N 1 0 358.490 2.385 20 30 FEEDRO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)n1cc(C[C@H]2CC[NH2+]C2)nn1 ZINC000603192832 568072235 /nfs/dbraw/zinc/07/22/35/568072235.db2.gz ARUPEALOMCKHBO-HUUCEWRRSA-N 1 0 370.432 2.077 20 30 FEEDRO Cc1ccccc1C[N@@H+]1CCCN(CC(=O)N[C@](C)(C#N)C2CC2)CC1 ZINC000603603221 568124983 /nfs/dbraw/zinc/12/49/83/568124983.db2.gz WFHHPVMOPWLNEM-OAQYLSRUSA-N 1 0 354.498 2.311 20 30 FEEDRO C[C@H](CNC(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1)[NH+]1CCC(C)CC1 ZINC000569060578 568295565 /nfs/dbraw/zinc/29/55/65/568295565.db2.gz OAKKSPMVTRECGR-AEFFLSMTSA-N 1 0 371.485 2.236 20 30 FEEDRO CC(C)[NH+]1CCN(c2ccc(C(=O)N[C@@]3(C#N)CCSC3)cc2)CC1 ZINC000604536789 568308967 /nfs/dbraw/zinc/30/89/67/568308967.db2.gz AILLPBXDFGARBK-LJQANCHMSA-N 1 0 358.511 2.346 20 30 FEEDRO CC[NH+](CC)CC#C[C@@H](C)OC(=O)C=Cc1ccccc1-c1nn[nH]n1 ZINC000821182536 607322596 /nfs/dbraw/zinc/32/25/96/607322596.db2.gz WCOJQSQLVXPAGS-WIDZWVOGSA-N 1 0 353.426 2.157 20 30 FEEDRO Cc1ccc(N=NC2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)nn1 ZINC000737361569 598357104 /nfs/dbraw/zinc/35/71/04/598357104.db2.gz JXPOTWTVECEEFJ-UHFFFAOYSA-N 1 0 363.429 2.029 20 30 FEEDRO C#CCCS(=O)(=O)N(CC[NH+](C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000808285116 674450040 /nfs/dbraw/zinc/45/00/40/674450040.db2.gz USVHESZPQMYFAZ-UHFFFAOYSA-N 1 0 362.417 2.422 20 30 FEEDRO C[C@@H]([NH2+][C@H]1CCN(c2ccc(C#N)cc2)C1=O)c1cccc(-c2nn[nH]n2)c1 ZINC000820420655 599388705 /nfs/dbraw/zinc/38/87/05/599388705.db2.gz VDWHZHGALUQFKW-ACJLOTCBSA-N 1 0 373.420 2.194 20 30 FEEDRO C#CC[C@]1(C(=O)NCC[N@@H+](C)C(C)C)CCCN1C(=O)OC(C)(C)C ZINC000809647137 674503067 /nfs/dbraw/zinc/50/30/67/674503067.db2.gz KHUJPEYZPORUDS-LJQANCHMSA-N 1 0 351.491 2.236 20 30 FEEDRO CC(C)[NH+]1CCN(C2CC[NH+]([C@@H](C(=O)[O-])c3cccc(C#N)c3)CC2)CC1 ZINC000833499884 604938926 /nfs/dbraw/zinc/93/89/26/604938926.db2.gz RTQLQUJCXYXAFU-HXUWFJFHSA-N 1 0 370.497 2.174 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(F)cc2-c2nn[nH]n2)CC1 ZINC000819723110 606351985 /nfs/dbraw/zinc/35/19/85/606351985.db2.gz ZEKWGZRWHWLALE-UHFFFAOYSA-N 1 0 359.409 2.168 20 30 FEEDRO C=CC[N@H+](Cc1cccc(C#N)c1)C[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000819745702 606888568 /nfs/dbraw/zinc/88/85/68/606888568.db2.gz PYUPKEKHKQZZFY-IBGZPJMESA-N 1 0 360.421 2.460 20 30 FEEDRO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000560634517 674605602 /nfs/dbraw/zinc/60/56/02/674605602.db2.gz HHKHPPLWHVECDE-KBPBESRZSA-N 1 0 358.360 2.017 20 30 FEEDRO CN(CCC#N)C[C@@H](O)C[NH2+][C@@H]1CCCc2cc(OC(F)F)ccc21 ZINC000562986633 674831306 /nfs/dbraw/zinc/83/13/06/674831306.db2.gz HOIRQTMWKMBMOW-WMLDXEAASA-N 1 0 353.413 2.461 20 30 FEEDRO C#CCNC(=O)CC[N@@H+](C)[C@H]1CCOc2ccc(Br)cc21 ZINC000815099891 674917929 /nfs/dbraw/zinc/91/79/29/674917929.db2.gz OCEPRFNCFQKKJQ-AWEZNQCLSA-N 1 0 351.244 2.344 20 30 FEEDRO C#CCN(C)CCC[NH2+][C@H](C)c1ccc(S(=O)(=O)N(CC)CC)cc1 ZINC000815652305 674963766 /nfs/dbraw/zinc/96/37/66/674963766.db2.gz XGFQPSSZKNGINP-QGZVFWFLSA-N 1 0 365.543 2.323 20 30 FEEDRO CC(C)(C)OC1CC(CC[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000564651881 675047839 /nfs/dbraw/zinc/04/78/39/675047839.db2.gz YERVOVMMPSSBTG-UHFFFAOYSA-N 1 0 365.499 2.300 20 30 FEEDRO CO[C@H](C[NH2+]CCS(=O)(=O)c1cccc(C#N)c1)Cc1ccccc1 ZINC000564859567 675069576 /nfs/dbraw/zinc/06/95/76/675069576.db2.gz GSDBYZKMOKEUAG-SFHVURJKSA-N 1 0 358.463 2.179 20 30 FEEDRO C[N@@H+](Cc1cccnc1)C[C@H]1CCN(S(=O)(=O)CCC(C)(C)C#N)C1 ZINC000569532176 670574082 /nfs/dbraw/zinc/57/40/82/670574082.db2.gz RGHWVKLYDSLXQL-QGZVFWFLSA-N 1 0 364.515 2.105 20 30 FEEDRO C=CCn1c(-c2cnccn2)nn(CN(C)C[C@@H]2CCC[N@@H+]2C)c1=S ZINC000817374712 675126777 /nfs/dbraw/zinc/12/67/77/675126777.db2.gz UZRUVGIREUCYCG-AWEZNQCLSA-N 1 0 359.503 2.041 20 30 FEEDRO N#Cc1c(Br)cccc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000565541008 675130997 /nfs/dbraw/zinc/13/09/97/675130997.db2.gz KDESDQBKCYAYFX-ZDUSSCGKSA-N 1 0 350.260 2.479 20 30 FEEDRO C#CCCCC[NH2+][C@@H](C)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000090399018 670711897 /nfs/dbraw/zinc/71/18/97/670711897.db2.gz FMOISFJHVYRQQC-INIZCTEOSA-N 1 0 350.484 2.162 20 30 FEEDRO CN(C)[C@H](C[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)C1CCCCC1 ZINC000571073763 670812023 /nfs/dbraw/zinc/81/20/23/670812023.db2.gz AYGWFMGADBQQOR-LJQANCHMSA-N 1 0 363.527 2.432 20 30 FEEDRO C=CCn1c(CC(F)(F)F)nnc1N1CC[NH+](C(C)(C)COC)CC1 ZINC000571324732 670855800 /nfs/dbraw/zinc/85/58/00/670855800.db2.gz CQDVQVZCWUOEAJ-UHFFFAOYSA-N 1 0 361.412 2.116 20 30 FEEDRO O=C(NCC[NH2+]Cc1ccc(Br)cc1F)C1N=CC=CC1=O ZINC000113361120 670884112 /nfs/dbraw/zinc/88/41/12/670884112.db2.gz HDZUYVZGCCMBIW-PFONDFGASA-N 1 0 368.206 2.204 20 30 FEEDRO C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H](C)C[N@@H+](C)CCCC)c1 ZINC000571916574 670940734 /nfs/dbraw/zinc/94/07/34/670940734.db2.gz HBWSNKIKOPXTCE-HNNXBMFYSA-N 1 0 367.515 2.001 20 30 FEEDRO N#Cc1cnn2cc(C[NH2+][C@@H]3CCN(c4ncccc4Cl)C3)cnc12 ZINC000572842673 671051398 /nfs/dbraw/zinc/05/13/98/671051398.db2.gz RMUPKRHPHSMZAR-CQSZACIVSA-N 1 0 353.817 2.018 20 30 FEEDRO CCOCc1ccc(C[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)cc1 ZINC000575052869 671295327 /nfs/dbraw/zinc/29/53/27/671295327.db2.gz PJIAAIZBWSJFMZ-UHFFFAOYSA-N 1 0 359.451 2.053 20 30 FEEDRO Cc1nsc(N2CCN(C(=O)CC[C@@H]3CCCC[N@H+]3C)CC2)c1C#N ZINC000577671759 671612475 /nfs/dbraw/zinc/61/24/75/671612475.db2.gz FPPNELHPDOXUCJ-HNNXBMFYSA-N 1 0 361.515 2.236 20 30 FEEDRO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1sccc1C#N)c1ccc(F)cc1 ZINC000577722794 671616063 /nfs/dbraw/zinc/61/60/63/671616063.db2.gz MCRIELQTULAXMT-AWEZNQCLSA-N 1 0 360.414 2.116 20 30 FEEDRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)Nc1ccccc1SCCC#N ZINC000609403543 675921397 /nfs/dbraw/zinc/92/13/97/675921397.db2.gz GHQRKMHMCLKQNG-CQSZACIVSA-N 1 0 362.499 2.477 20 30 FEEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+]C[C@H]2CCOc3ccccc32)c1 ZINC000579583381 671746469 /nfs/dbraw/zinc/74/64/69/671746469.db2.gz QVYDESQTKSDJHA-MRXNPFEDSA-N 1 0 356.447 2.488 20 30 FEEDRO C#CC[N@@H+](CCc1ccc(S(N)(=O)=O)cc1)[C@@H]1CCc2ccccc21 ZINC000120939993 671939454 /nfs/dbraw/zinc/93/94/54/671939454.db2.gz PGWYMWPXBNDMQM-HXUWFJFHSA-N 1 0 354.475 2.499 20 30 FEEDRO CN(CCC#N)C[C@@H](O)C[NH2+]CC1(c2cccc(Br)c2)CC1 ZINC000583989614 672145286 /nfs/dbraw/zinc/14/52/86/672145286.db2.gz KLKPUBYRDRRQSF-INIZCTEOSA-N 1 0 366.303 2.277 20 30 FEEDRO C=CCc1ccccc1OC[C@H](O)C[NH2+][C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000584108818 672156724 /nfs/dbraw/zinc/15/67/24/672156724.db2.gz VJVRKHAILXNWOL-KSZLIROESA-N 1 0 367.511 2.100 20 30 FEEDRO N#CC1(NC(=O)C[NH2+][C@H](c2cncc(Br)c2)C2CC2)CCC1 ZINC000584246631 672169633 /nfs/dbraw/zinc/16/96/33/672169633.db2.gz ABEJENBWPCKPAF-HNNXBMFYSA-N 1 0 363.259 2.447 20 30 FEEDRO N#CC1(CS(=O)(=O)N2C[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)CC1 ZINC000584689344 672205875 /nfs/dbraw/zinc/20/58/75/672205875.db2.gz JDPQNJTVGCDCGV-QZTJIDSGSA-N 1 0 359.495 2.074 20 30 FEEDRO CS[C@@H]1CN(C(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)C[C@H]1[NH+](C)C ZINC000611217546 676026131 /nfs/dbraw/zinc/02/61/31/676026131.db2.gz KWOSBLDVNCKCPC-RCCFBDPRSA-N 1 0 358.511 2.031 20 30 FEEDRO CN(CCN1CC[NH+](Cc2ccccc2)CC1)Cc1nc(C#N)cs1 ZINC000589516606 672529911 /nfs/dbraw/zinc/52/99/11/672529911.db2.gz LYFMMFQQXJMVPS-UHFFFAOYSA-N 1 0 355.511 2.264 20 30 FEEDRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)C(=O)Nc1scc(C(C)(C)C)c1C#N ZINC000591306298 672667468 /nfs/dbraw/zinc/66/74/68/672667468.db2.gz JJYOUCKWYBIRLT-QWRGUYRKSA-N 1 0 366.462 2.014 20 30 FEEDRO C[C@@H]1CC2(CN1S(=O)(=O)c1ccc(C#N)c(Cl)c1)CC[NH2+]CC2 ZINC000591667558 672699058 /nfs/dbraw/zinc/69/90/58/672699058.db2.gz WQCKJNPTWDERPT-GFCCVEGCSA-N 1 0 353.875 2.364 20 30 FEEDRO CCOC(=O)C1CCC([NH2+]CCS(=O)(=O)c2cccc(C#N)c2)CC1 ZINC000591727682 672705364 /nfs/dbraw/zinc/70/53/64/672705364.db2.gz PKWBUWRCIKDUJZ-UHFFFAOYSA-N 1 0 364.467 2.043 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+]C[C@@H]2CCc3ccccc3C2)nc1 ZINC000591741834 672707178 /nfs/dbraw/zinc/70/71/78/672707178.db2.gz UYNZKDOQVFBEOD-OAHLLOKOSA-N 1 0 355.463 2.122 20 30 FEEDRO C[S@](=O)c1ccc(C[NH2+]C[C@H](O)COc2ccc(CC#N)cc2)cc1 ZINC000591750279 672708110 /nfs/dbraw/zinc/70/81/10/672708110.db2.gz YKKYNOREBJCVLS-GKVSMKOHSA-N 1 0 358.463 2.020 20 30 FEEDRO CN1Cc2ccccc2[C@H]([NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000591757264 672708422 /nfs/dbraw/zinc/70/84/22/672708422.db2.gz GGLJPHOUBKWTER-LJQANCHMSA-N 1 0 355.463 2.108 20 30 FEEDRO CN1Cc2ccccc2[C@H]([NH2+]CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000591757290 672708508 /nfs/dbraw/zinc/70/85/08/672708508.db2.gz JBTUOBUESYVNNJ-LJQANCHMSA-N 1 0 355.463 2.108 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNS(=O)(=O)c1ncn(C)c1Cl)C(C)C ZINC000193098058 672711993 /nfs/dbraw/zinc/71/19/93/672711993.db2.gz JEVRYQTYUSQPJS-CYBMUJFWSA-N 1 0 360.911 2.050 20 30 FEEDRO C[NH+]1CCC2(CC1)CN(Cc1ccc(C#N)cc1OC(F)F)CCO2 ZINC000592184019 672768500 /nfs/dbraw/zinc/76/85/00/672768500.db2.gz XGIPVZCXDBZZNH-UHFFFAOYSA-N 1 0 351.397 2.456 20 30 FEEDRO C=C(Br)CNC(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000195180049 672778141 /nfs/dbraw/zinc/77/81/41/672778141.db2.gz LVXAINFRGNGOGS-UHFFFAOYSA-N 1 0 353.264 2.254 20 30 FEEDRO N#Cc1cc(S(=O)(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)ccc1Cl ZINC000592376046 672793986 /nfs/dbraw/zinc/79/39/86/672793986.db2.gz XKXNESDMRCJREY-LRDDRELGSA-N 1 0 353.875 2.364 20 30 FEEDRO CC(C)[C@H]1CN(S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)CC[NH2+]1 ZINC000592378824 672794564 /nfs/dbraw/zinc/79/45/64/672794564.db2.gz FYJSSEWSLAQADK-CQSZACIVSA-N 1 0 361.389 2.196 20 30 FEEDRO CC[C@H]1CN(S(=O)(=O)c2ccc(C#N)c(Br)c2)CC[C@@H]1[NH3+] ZINC000592381768 672794873 /nfs/dbraw/zinc/79/48/73/672794873.db2.gz DNQAJSIPBDPIJM-HZMBPMFUSA-N 1 0 372.288 2.069 20 30 FEEDRO N#Cc1cnn2cc(C[NH2+]C[C@]3(O)CCC[C@@H](C(F)(F)F)C3)cnc12 ZINC000592509541 672809336 /nfs/dbraw/zinc/80/93/36/672809336.db2.gz YMLNVNDRWSWHMK-HIFRSBDPSA-N 1 0 353.348 2.174 20 30 FEEDRO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCCC[C@H]2CCNS(C)(=O)=O)cc1 ZINC000245545250 672820527 /nfs/dbraw/zinc/82/05/27/672820527.db2.gz SZUUXCQXECHQKD-RDJZCZTQSA-N 1 0 365.499 2.271 20 30 FEEDRO CC[NH+]=C(NC[C@@H]1CCCO1)N(C)Cc1cc(Br)cn1C ZINC000261696975 672901664 /nfs/dbraw/zinc/90/16/64/672901664.db2.gz FTNVHAGZMNXNAS-AWEZNQCLSA-N 1 0 357.296 2.364 20 30 FEEDRO CC[S@](=O)[C@@H]1CCC[C@H](NC(NC[C@]2(C)CCCC[C@@H]2O)=[NH+]C)C1 ZINC000261736677 672902344 /nfs/dbraw/zinc/90/23/44/672902344.db2.gz MCKYDQLULGTANX-XPGRIIKNSA-N 1 0 357.564 2.172 20 30 FEEDRO C[NH+]=C(NCC1(O)CCCC1)N[C@@H]1CCN(c2cccc(Cl)c2)C1 ZINC000261855388 672904557 /nfs/dbraw/zinc/90/45/57/672904557.db2.gz XTULIPSZOGIKBX-OAHLLOKOSA-N 1 0 350.894 2.389 20 30 FEEDRO CC[NH+]=C(NCc1cn(C)nc1C(F)(F)F)N1CC[C@@]2(CCOC2)C1 ZINC000261940148 672905532 /nfs/dbraw/zinc/90/55/32/672905532.db2.gz DKAWZCWOXRRTPZ-OAHLLOKOSA-N 1 0 359.396 2.017 20 30 FEEDRO C[C@H]1CN([C@H](CNC(=[NH2+])NC2CC2)c2c(F)cccc2Cl)CCO1 ZINC000261982652 672906829 /nfs/dbraw/zinc/90/68/29/672906829.db2.gz PHCUJPRLHZTFBT-XHDPSFHLSA-N 1 0 354.857 2.308 20 30 FEEDRO C[NH+]=C(NCCOc1ncccc1F)N1CCC[C@]2(CCCOC2)C1 ZINC000262059908 672908457 /nfs/dbraw/zinc/90/84/57/672908457.db2.gz VVRSLVJGTSRPSK-SFHVURJKSA-N 1 0 350.438 2.068 20 30 FEEDRO C[NH+]=C(NCc1nc(C)no1)N(C)Cc1ccccc1Br ZINC000262240390 672911383 /nfs/dbraw/zinc/91/13/83/672911383.db2.gz OPVAGVPHLPHXBE-UHFFFAOYSA-N 1 0 352.236 2.348 20 30 FEEDRO C[C@@H]1CCC[C@H](NC(NC[C@@H]2CCS(=O)(=O)C2)=[NH+]C2CCCC2)C1 ZINC000262429812 672915571 /nfs/dbraw/zinc/91/55/71/672915571.db2.gz SHCXIQXTNVTNBY-VYDXJSESSA-N 1 0 355.548 2.478 20 30 FEEDRO CC[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)N1CCC[C@@H](C(=O)OCC)C1 ZINC000262443591 672916101 /nfs/dbraw/zinc/91/61/01/672916101.db2.gz VAJIMZHEOQSHBZ-QXSJWSMHSA-N 1 0 351.491 2.041 20 30 FEEDRO C[NH+]=C(NC[C@]1(N2CCOCC2)CCSC1)N1CC[C@H](CC(C)C)C1 ZINC000262468653 672916470 /nfs/dbraw/zinc/91/64/70/672916470.db2.gz OHONSAXSUZLXLI-IEBWSBKVSA-N 1 0 368.591 2.138 20 30 FEEDRO CC[NH+]=C(NCC1CCSCC1)NC1CCN(C(=O)C2CC2)CC1 ZINC000262788251 672920780 /nfs/dbraw/zinc/92/07/80/672920780.db2.gz NCWMWNATBHRJDI-UHFFFAOYSA-N 1 0 352.548 2.086 20 30 FEEDRO C[NH+]=C(NCC1(SC)CCOCC1)N1CCC[C@]2(CCCOC2)C1 ZINC000262800489 672921383 /nfs/dbraw/zinc/92/13/83/672921383.db2.gz QROFSNLNKJXQJZ-KRWDZBQOSA-N 1 0 355.548 2.367 20 30 FEEDRO C[NH+](C)[C@H]1CCCN(C(=O)Cc2ccc(Br)cc2C#N)C1 ZINC000593448234 672924801 /nfs/dbraw/zinc/92/48/01/672924801.db2.gz LERFVGSMOVDOTN-HNNXBMFYSA-N 1 0 350.260 2.416 20 30 FEEDRO Cc1cnc(CCNC(=[NH2+])N2CCN(c3ccc(Cl)cc3)CC2)cn1 ZINC000263188222 672929470 /nfs/dbraw/zinc/92/94/70/672929470.db2.gz VEUJXMRBJWRMGY-UHFFFAOYSA-N 1 0 358.877 2.118 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)C(=O)N[C@H](C)C[NH+]1CCC(C)CC1 ZINC000612484508 676084225 /nfs/dbraw/zinc/08/42/25/676084225.db2.gz BNUUHVLGSKZEMW-MRXNPFEDSA-N 1 0 363.527 2.499 20 30 FEEDRO COCC[NH2+]C1CCN(C(=O)NCc2ccc(C#N)c(Cl)c2)CC1 ZINC000593727386 672983190 /nfs/dbraw/zinc/98/31/90/672983190.db2.gz WTWBPLZIOCVIGA-UHFFFAOYSA-N 1 0 350.850 2.122 20 30 FEEDRO [NH2+]=C(NCCNC(=O)c1ccccc1Cl)NCCc1cccs1 ZINC000303783117 673017486 /nfs/dbraw/zinc/01/74/86/673017486.db2.gz NXJCYUOOMFWAGJ-UHFFFAOYSA-N 1 0 350.875 2.278 20 30 FEEDRO CCC(CC)[C@H](CNC(=[NH2+])NCCc1cccs1)N1CCOCC1 ZINC000303789761 673017721 /nfs/dbraw/zinc/01/77/21/673017721.db2.gz VSHHLFSSBCHZPO-KRWDZBQOSA-N 1 0 352.548 2.332 20 30 FEEDRO [NH2+]=C(NC[C@H](c1c(F)cccc1Cl)N1CCCC1)N1CCOCC1 ZINC000303878700 673017995 /nfs/dbraw/zinc/01/79/95/673017995.db2.gz GAXYEMJVTWZVBD-OAHLLOKOSA-N 1 0 354.857 2.263 20 30 FEEDRO [NH2+]=C(NCCNc1nccc(C(F)(F)F)n1)NCCc1cccs1 ZINC000304754832 673020215 /nfs/dbraw/zinc/02/02/15/673020215.db2.gz MDVIGANDSFRFSD-UHFFFAOYSA-N 1 0 358.393 2.116 20 30 FEEDRO C[NH+]=C(NCCN1CCOCC1)NCC1(c2cccs2)CCCCC1 ZINC000304546220 673020235 /nfs/dbraw/zinc/02/02/35/673020235.db2.gz AUHWWUSSLFXPMP-UHFFFAOYSA-N 1 0 364.559 2.447 20 30 FEEDRO COc1cccc(NC(=[NH2+])NCCNc2nccc(C(F)(F)F)n2)c1 ZINC000304760201 673020755 /nfs/dbraw/zinc/02/07/55/673020755.db2.gz SDCLMUCLPIVJNQ-UHFFFAOYSA-N 1 0 354.336 2.343 20 30 FEEDRO [NH2+]=C(NCC1CCS(=O)(=O)CC1)Nc1ccccc1OC(F)(F)F ZINC000305298844 673021404 /nfs/dbraw/zinc/02/14/04/673021404.db2.gz MACAWHXEDWXSTD-UHFFFAOYSA-N 1 0 365.377 2.137 20 30 FEEDRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)COc2cccc(Br)c2C#N)C1 ZINC000594102207 673031543 /nfs/dbraw/zinc/03/15/43/673031543.db2.gz IHAUFEPWCNGEKW-TXEJJXNPSA-N 1 0 366.259 2.156 20 30 FEEDRO C[C@H](NC(=O)[C@H]1COCCO1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000328700707 673065469 /nfs/dbraw/zinc/06/54/69/673065469.db2.gz MXGCBCPSKCTSLT-SUMWQHHRSA-N 1 0 351.422 2.010 20 30 FEEDRO Cc1ncc(CNC(=O)N2CCC(N3CC[NH+](C(C)C)CC3)CC2)s1 ZINC000328858906 673068000 /nfs/dbraw/zinc/06/80/00/673068000.db2.gz YJLUHRPJYMWBHP-UHFFFAOYSA-N 1 0 365.547 2.356 20 30 FEEDRO CO[C@H]1C[C@@H](C(=O)NC[C@H]2CCc3nc(C(F)(F)F)cn3C2)N(C)C1 ZINC000329018456 673071100 /nfs/dbraw/zinc/07/11/00/673071100.db2.gz HCFBXBDCKDQQQK-WOPDTQHZSA-N 1 0 360.380 2.140 20 30 FEEDRO COc1ccc(Cl)cc1N1CC[C@H](NC(=O)[C@H]([NH3+])CCCCC#N)C1 ZINC000594435947 673071865 /nfs/dbraw/zinc/07/18/65/673071865.db2.gz BJCRYVXZFLLNLF-LSDHHAIUSA-N 1 0 364.877 2.455 20 30 FEEDRO CN1C(=O)C[C@H](NC(=O)[C@H]([NH3+])CCCCC#N)[C@H]1c1ccc(Cl)cc1 ZINC000594443745 673072332 /nfs/dbraw/zinc/07/23/32/673072332.db2.gz TYVYSKMAVXYOSJ-HLLBOEOZSA-N 1 0 362.861 2.139 20 30 FEEDRO CC[C@H](C)NS(=O)(=O)c1cccc(NC(=O)[C@H]([NH3+])CCCCC#N)c1 ZINC000594445591 673073052 /nfs/dbraw/zinc/07/30/52/673073052.db2.gz IJEDLGUMIMBZAW-XJKSGUPXSA-N 1 0 366.487 2.113 20 30 FEEDRO COC(=O)CCC[NH+]1CCC(=NNC(=S)NCc2ccccc2)CC1 ZINC000727059254 673152429 /nfs/dbraw/zinc/15/24/29/673152429.db2.gz MZWTWXHTQJAQCC-UHFFFAOYSA-N 1 0 362.499 2.056 20 30 FEEDRO CC(C)Cc1nc(C#N)c(NNC(=S)NCC(C)(C)C[NH+](C)C)o1 ZINC000727082832 673154640 /nfs/dbraw/zinc/15/46/40/673154640.db2.gz DJUUEFRXTBVGAE-UHFFFAOYSA-N 1 0 352.508 2.124 20 30 FEEDRO C[C@H]1CC[C@@H]([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CS1(=O)=O ZINC000594975199 673182080 /nfs/dbraw/zinc/18/20/80/673182080.db2.gz MRQFGUSLDFMKIZ-HNAYVOBHSA-N 1 0 361.511 2.078 20 30 FEEDRO C=CCSCCNC(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(OC)c(F)c1 ZINC000595263696 673215054 /nfs/dbraw/zinc/21/50/54/673215054.db2.gz JZSXPORJEOUHFU-HOCLYGCPSA-N 1 0 367.490 2.498 20 30 FEEDRO N#C[C@@]1(F)CCN(C(=O)N[C@H]2C[NH2+]CC[C@H]2c2ccc(F)c(F)c2)C1 ZINC000595269538 673215367 /nfs/dbraw/zinc/21/53/67/673215367.db2.gz CJWZVUCGEVGUHE-NUTKFTJISA-N 1 0 352.360 2.057 20 30 FEEDRO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCC[C@H](N2CCOCC2)CC1 ZINC000595469320 673254938 /nfs/dbraw/zinc/25/49/38/673254938.db2.gz FLLHZERJNGSYFD-INIZCTEOSA-N 1 0 362.499 2.135 20 30 FEEDRO N#Cc1sccc1N1CCN(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000595496112 673258055 /nfs/dbraw/zinc/25/80/55/673258055.db2.gz VPWUMIUDQWJXRG-HUUCEWRRSA-N 1 0 359.499 2.078 20 30 FEEDRO CCCN1C(=O)[C@H](CC(=O)NCC[NH+](C)C)SC1=Nc1ccccc1 ZINC000730141003 673263674 /nfs/dbraw/zinc/26/36/74/673263674.db2.gz ISTBBQKOGCYMHV-HNNXBMFYSA-N 1 0 362.499 2.096 20 30 FEEDRO COC[C@@H]([NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1)C1CCOCC1 ZINC000595614829 673273980 /nfs/dbraw/zinc/27/39/80/673273980.db2.gz IYUKZAZUYVRRPD-MRXNPFEDSA-N 1 0 351.834 2.181 20 30 FEEDRO N#Cc1ccc(C[N@H+]2C[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3C2)s1 ZINC000595624867 673274865 /nfs/dbraw/zinc/27/48/65/673274865.db2.gz KLJKUUAATLSWEC-CALCHBBNSA-N 1 0 351.431 2.237 20 30 FEEDRO CO[C@@H]1CCC[C@@H]([C@@H](CO)[NH2+]CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000595630718 673276223 /nfs/dbraw/zinc/27/62/23/673276223.db2.gz BHWXFBVMVDMGON-SRCQZFHVSA-N 1 0 365.861 2.306 20 30 FEEDRO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)N1CCN(c2ccsc2C#N)CC1 ZINC000595661486 673280059 /nfs/dbraw/zinc/28/00/59/673280059.db2.gz CEMNPUKDUMMGCP-AWEZNQCLSA-N 1 0 361.515 2.324 20 30 FEEDRO CCNc1nc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cs1 ZINC000596829602 673417626 /nfs/dbraw/zinc/41/76/26/673417626.db2.gz ULJKTRMAIMZHRO-UHFFFAOYSA-N 1 0 357.483 2.651 20 30 FEEDRO CS[C@@H]1CN(c2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)C[C@H]1[NH+](C)C ZINC000538096296 673421904 /nfs/dbraw/zinc/42/19/04/673421904.db2.gz IVDOJHNIJVBTTF-HZPDHXFCSA-N 1 0 357.439 2.496 20 30 FEEDRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)c2cc(F)c(C#N)c(F)c2)C1 ZINC000597331777 673468860 /nfs/dbraw/zinc/46/88/60/673468860.db2.gz MFQOYLVCBRJOCA-CQSZACIVSA-N 1 0 351.397 2.409 20 30 FEEDRO CS[C@@H]1CN(C(=O)c2cc(F)c(C#N)c(F)c2)C[C@@H]1[NH+]1CCCC1 ZINC000597507690 673483382 /nfs/dbraw/zinc/48/33/82/673483382.db2.gz RSPADOGTUDGTQI-JKSUJKDBSA-N 1 0 351.422 2.488 20 30 FEEDRO C[N@@H+]1CCC[C@@H](N2CCN(Cc3cc(Cl)ccc3OCC#N)CC2)C1 ZINC000735310719 673490146 /nfs/dbraw/zinc/49/01/46/673490146.db2.gz CQEPXSPRRPRBAT-GOSISDBHSA-N 1 0 362.905 2.454 20 30 FEEDRO N#Cc1ccc(C[NH2+]C[C@H](O)COc2ccc3c(c2)CCC(=O)N3)s1 ZINC000539473359 673492114 /nfs/dbraw/zinc/49/21/14/673492114.db2.gz RJXUNVFGTKLXED-ZDUSSCGKSA-N 1 0 357.435 2.034 20 30 FEEDRO C[NH+](C)C[C@H](CO)NC(=O)c1ccc(Sc2ccccc2C#N)cc1 ZINC000597653793 673496598 /nfs/dbraw/zinc/49/65/98/673496598.db2.gz MMUWSRXXUPARIF-MRXNPFEDSA-N 1 0 355.463 2.362 20 30 FEEDRO COCCCN(C(=O)c1cc(F)c(C#N)c(F)c1)C1CC[NH+](C)CC1 ZINC000597669610 673497641 /nfs/dbraw/zinc/49/76/41/673497641.db2.gz BYRVVXAZUXTALK-UHFFFAOYSA-N 1 0 351.397 2.409 20 30 FEEDRO C=CC[C@H](CO)CNC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000540409208 673537854 /nfs/dbraw/zinc/53/78/54/673537854.db2.gz BBINQMJWZGZEJM-HOTGVXAUSA-N 1 0 351.516 2.444 20 30 FEEDRO Cc1cc(Br)ccc1CC(=O)NC1(C#N)CC[NH+](C)CC1 ZINC000541849014 673557208 /nfs/dbraw/zinc/55/72/08/673557208.db2.gz YVJBPEVTRZCOGZ-UHFFFAOYSA-N 1 0 350.260 2.404 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2cscc2C(F)(F)F)c1C#N ZINC000598653205 673594207 /nfs/dbraw/zinc/59/42/07/673594207.db2.gz UMSDMEVRQAYRGN-UHFFFAOYSA-N 1 0 357.361 2.766 20 30 FEEDRO CCN(CC)C(=O)CCC1CC[NH+](CCC(=O)N(C)CCC#N)CC1 ZINC000542979973 673619007 /nfs/dbraw/zinc/61/90/07/673619007.db2.gz DUSJBGOUQLOGQC-UHFFFAOYSA-N 1 0 350.507 2.109 20 30 FEEDRO C=CCC[N@H+]1CCC[C@H](C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000739912609 673638722 /nfs/dbraw/zinc/63/87/22/673638722.db2.gz OMSBRFRYDYTYKZ-INIZCTEOSA-N 1 0 351.491 2.354 20 30 FEEDRO N#CC1(C[C@H](O)C[NH2+][C@H](CO)c2ccc(Br)c(F)c2)CC1 ZINC000599425421 673674328 /nfs/dbraw/zinc/67/43/28/673674328.db2.gz GKTXOACFVZQANW-SMDDNHRTSA-N 1 0 357.223 2.266 20 30 FEEDRO N#Cc1ccc(CN2CCC([NH+]3CCOCC3)CC2)c(OC(F)F)c1 ZINC000599474118 673680712 /nfs/dbraw/zinc/68/07/12/673680712.db2.gz IGWFXMAZDYWKSB-UHFFFAOYSA-N 1 0 351.397 2.456 20 30 FEEDRO C[C@@H]1CC(N=Nc2ccc(S(=O)(=O)NC3CCCC3)cn2)CC[N@@H+]1C ZINC000741460058 673687510 /nfs/dbraw/zinc/68/75/10/673687510.db2.gz LAOHDHYUJVCAGQ-CYBMUJFWSA-N 1 0 365.503 2.185 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)COCc2nc3ccccc3s2)CC1 ZINC000743489669 673761545 /nfs/dbraw/zinc/76/15/45/673761545.db2.gz JJGLMEOJFGBXER-UHFFFAOYSA-N 1 0 357.479 2.417 20 30 FEEDRO C[C@H](C[NH2+]C[C@H](O)CC1(C#N)CCOCC1)N1CCc2sccc2C1 ZINC000600717359 673794001 /nfs/dbraw/zinc/79/40/01/673794001.db2.gz KOUXPOUNMHYCNQ-NVXWUHKLSA-N 1 0 363.527 2.156 20 30 FEEDRO Cc1nc(NC(=O)c2cnn(CC[NH+](C)C)c2)sc1SCC#N ZINC000601028065 673820539 /nfs/dbraw/zinc/82/05/39/673820539.db2.gz BLBKSSJFGZCASH-UHFFFAOYSA-N 1 0 350.473 2.078 20 30 FEEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)S(=O)(=O)C[C@H]1CCC1(F)F ZINC000601321605 673842578 /nfs/dbraw/zinc/84/25/78/673842578.db2.gz PIZRHGBPXVKCOD-MRXNPFEDSA-N 1 0 371.453 2.297 20 30 FEEDRO CC[NH+](CC)C[C@@H]1CCN(S(=O)(=O)c2c(C)cc(F)cc2C#N)C1 ZINC000601359729 673847968 /nfs/dbraw/zinc/84/79/68/673847968.db2.gz YBEFOTOWIXVJNB-AWEZNQCLSA-N 1 0 353.463 2.358 20 30 FEEDRO CCC1([NH+](C)C)CCN(C(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)CC1 ZINC000602068744 673901768 /nfs/dbraw/zinc/90/17/68/673901768.db2.gz ZRJGTSVKDBMDBX-UHFFFAOYSA-N 1 0 362.861 2.483 20 30 FEEDRO CC[NH2+]Cc1cn(CC(=O)Nc2sc3c(c2C#N)CCCCC3)nn1 ZINC000603172983 673918730 /nfs/dbraw/zinc/91/87/30/673918730.db2.gz KNOFEPISFVGRFJ-UHFFFAOYSA-N 1 0 358.471 2.228 20 30 FEEDRO C[C@@H]1CCCC[N@@H+]1CCCNc1ccc(C#N)cc1CS(N)(=O)=O ZINC000603268109 673920180 /nfs/dbraw/zinc/92/01/80/673920180.db2.gz FLZGUQJNGYEHOZ-CQSZACIVSA-N 1 0 350.488 2.023 20 30 FEEDRO CC[C@H]1CCCC[N@@H+]1CCNc1ccc(C#N)cc1CS(N)(=O)=O ZINC000603290539 673922999 /nfs/dbraw/zinc/92/29/99/673922999.db2.gz CCEPKOVNKGZTBZ-INIZCTEOSA-N 1 0 350.488 2.023 20 30 FEEDRO CN(C)CC[N@H+](C)CCCN(C)c1cc(C#N)c(Br)cn1 ZINC000603383733 673928136 /nfs/dbraw/zinc/92/81/36/673928136.db2.gz ULGODWDTQZNGPL-UHFFFAOYSA-N 1 0 354.296 2.035 20 30 FEEDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNCCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000548908174 674005572 /nfs/dbraw/zinc/00/55/72/674005572.db2.gz CJBBKKZNHWBDIT-IAGOWNOFSA-N 1 0 363.527 2.290 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)c1nc(NCc2ccco2)ncc1Cl ZINC000818584606 675226219 /nfs/dbraw/zinc/22/62/19/675226219.db2.gz RAFVKCJZARWTAP-UHFFFAOYSA-N 1 0 361.833 2.020 20 30 FEEDRO C=CCn1c(Cc2nc(C)cs2)nnc1N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000566738325 675239076 /nfs/dbraw/zinc/23/90/76/675239076.db2.gz WBJOWEODLWHVOC-OAHLLOKOSA-N 1 0 358.515 2.493 20 30 FEEDRO Cc1ccc(Cl)c(OC[C@@H](O)C[NH2+]CCNc2ncccc2C#N)c1 ZINC000818976229 675249058 /nfs/dbraw/zinc/24/90/58/675249058.db2.gz XSMZLUFPRJUPPN-HNNXBMFYSA-N 1 0 360.845 2.357 20 30 FEEDRO C=C(Br)C[NH2+]C[C@@H](O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000818979525 675249337 /nfs/dbraw/zinc/24/93/37/675249337.db2.gz PGPCEDLHGHQVNS-CYBMUJFWSA-N 1 0 363.296 2.493 20 30 FEEDRO C=C(Br)C[NH2+]C[C@@H](O)COc1ccc(CCC(C)=O)cc1 ZINC000818979600 675249414 /nfs/dbraw/zinc/24/94/14/675249414.db2.gz RJWQWSLGYULGSW-OAHLLOKOSA-N 1 0 356.260 2.446 20 30 FEEDRO O=C(NCC[NH2+]C[C@@H](O)c1ccc(Cl)cc1Cl)C1N=CC=CC1=O ZINC000819049623 675255603 /nfs/dbraw/zinc/25/56/03/675255603.db2.gz MFOBWPLDLUPBTG-HDUPEWFZSA-N 1 0 370.236 2.143 20 30 FEEDRO C#C[C@H](NC(=O)N1CC[N@@H+](C[C@@H](C)O)C[C@H]1C)c1ccc(Cl)cc1F ZINC000820749411 675384903 /nfs/dbraw/zinc/38/49/03/675384903.db2.gz AMCRRSUQDMIMBT-XNJGSVPQSA-N 1 0 367.852 2.250 20 30 FEEDRO C#C[C@@H](NC(=O)NC[C@@H]1CCCC[N@H+]1CCO)c1ccc(Cl)cc1F ZINC000820750143 675385033 /nfs/dbraw/zinc/38/50/33/675385033.db2.gz LAQUQOXGWRRHFE-WMLDXEAASA-N 1 0 367.852 2.299 20 30 FEEDRO C#CCN(CC(=O)N1CCC[N@@H+](C(C)(C)C)CC1)C(=O)OC(C)(C)C ZINC000824632348 675614290 /nfs/dbraw/zinc/61/42/90/675614290.db2.gz FNVOYSZUOOPRSI-UHFFFAOYSA-N 1 0 351.491 2.190 20 30 FEEDRO C#CCOc1ccc(C[NH2+]Cc2cccc(S(=O)(=O)N(C)C)c2)cc1 ZINC000824737831 675619244 /nfs/dbraw/zinc/61/92/44/675619244.db2.gz FFZIWGUIZOHNOJ-UHFFFAOYSA-N 1 0 358.463 2.239 20 30 FEEDRO C#CCO[C@H](C)C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000827095711 675728738 /nfs/dbraw/zinc/72/87/38/675728738.db2.gz LENJSUNHFBOYHZ-CJNGLKHVSA-N 1 0 350.846 2.165 20 30 FEEDRO C=C(C[NH+](C)C)C(=O)N1CCC[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]21 ZINC000829376624 675877607 /nfs/dbraw/zinc/87/76/07/675877607.db2.gz IKJCSZKNJWFVKK-CVEARBPZSA-N 1 0 351.491 2.352 20 30 FEEDRO N#CCc1cccc(S(=O)(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000619492386 676380984 /nfs/dbraw/zinc/38/09/84/676380984.db2.gz MQTCMELUYWUDKS-VQIMIIECSA-N 1 0 359.495 2.390 20 30 FEEDRO C=CC(C)(C)CCNC(=O)N1CCCN(CC(=O)N(CC)CC)CC1 ZINC000624466049 676580504 /nfs/dbraw/zinc/58/05/04/676580504.db2.gz GHFKOFIQISQWQD-UHFFFAOYSA-N 1 0 352.523 2.174 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)COc2ccc(Br)cn2)CC1 ZINC000630941787 676926764 /nfs/dbraw/zinc/92/67/64/676926764.db2.gz FAJAOXANUHPEME-UHFFFAOYSA-N 1 0 368.275 2.380 20 30 FEEDRO C#CC1CC[NH+](CC(=O)N(C)CC(=O)Nc2ccccc2SC)CC1 ZINC000830311860 677034043 /nfs/dbraw/zinc/03/40/43/677034043.db2.gz XYIJIQDRSZUFRI-UHFFFAOYSA-N 1 0 359.495 2.151 20 30 FEEDRO CC#CC[C@@H](CO)[NH2+]Cc1cc(Br)c2c(c1)OCCCO2 ZINC000641768790 677215289 /nfs/dbraw/zinc/21/52/89/677215289.db2.gz IAWLHXJBFSZFCB-ZDUSSCGKSA-N 1 0 354.244 2.474 20 30 FEEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000643477277 677227011 /nfs/dbraw/zinc/22/70/11/677227011.db2.gz SMWDVICIHVSNCJ-GXTWGEPZSA-N 1 0 367.902 2.127 20 30 FEEDRO C=CCc1ccccc1OC[C@@H](O)C[NH2+][C@H]1CCN(CC(F)(F)F)C1 ZINC000644532475 677245329 /nfs/dbraw/zinc/24/53/29/677245329.db2.gz ULBGDZUQEPHPAR-HOTGVXAUSA-N 1 0 358.404 2.381 20 30 FEEDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)Nc1cccc(C#Cc2cccs2)c1 ZINC000647493860 677302108 /nfs/dbraw/zinc/30/21/08/677302108.db2.gz CFVYLAVGDRKHIO-ZIAGYGMSSA-N 1 0 355.463 2.328 20 30 FEEDRO N#Cc1ccc(C(=O)CNC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)cc1 ZINC000655064857 677620471 /nfs/dbraw/zinc/62/04/71/677620471.db2.gz HDMFGDNOLUDINU-KRWDZBQOSA-N 1 0 357.479 2.075 20 30 FEEDRO C=CCCn1cc(C[NH2+][C@H](C)[C@@H](C)C(=O)Nc2nnc(CC)s2)nn1 ZINC000657465566 678002584 /nfs/dbraw/zinc/00/25/84/678002584.db2.gz CRNGQENAOWSYJS-VXGBXAGGSA-N 1 0 363.491 2.021 20 30 FEEDRO Cc1ccc(N(CCC#N)C(=O)C[NH2+]C2(CO)CCSCC2)cc1C ZINC000839179903 680743406 /nfs/dbraw/zinc/74/34/06/680743406.db2.gz OXWKSVOPJFJTDU-UHFFFAOYSA-N 1 0 361.511 2.398 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNS(=O)(=O)c1ccc(N)cc1F)C(C)C ZINC000659947203 678236889 /nfs/dbraw/zinc/23/68/89/678236889.db2.gz MIBOVCHVFGNHAH-MRXNPFEDSA-N 1 0 355.479 2.385 20 30 FEEDRO C[C@H]1CN(C(=S)Nc2ccccc2C#N)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000763297474 680778942 /nfs/dbraw/zinc/77/89/42/680778942.db2.gz AZMCOPKFSNJAHX-YJBOKZPZSA-N 1 0 357.527 2.213 20 30 FEEDRO C=CC[C@@]1(C(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)CCC[NH2+]1 ZINC000662445144 678621916 /nfs/dbraw/zinc/62/19/16/678621916.db2.gz DIRWIFDSSLIPHG-KRWDZBQOSA-N 1 0 351.472 2.010 20 30 FEEDRO CC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2)CC(=O)NC ZINC000764204238 680802543 /nfs/dbraw/zinc/80/25/43/680802543.db2.gz OMJIHZXVNSJSHN-GFCCVEGCSA-N 1 0 362.499 2.141 20 30 FEEDRO CC[C@H](C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N)[NH+](CC)CC ZINC000764205083 680802575 /nfs/dbraw/zinc/80/25/75/680802575.db2.gz YQRZDBIURKPPBC-LSDHHAIUSA-N 1 0 352.479 2.078 20 30 FEEDRO C=CCCC1(CNC(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)CCCC1 ZINC000668527569 679182500 /nfs/dbraw/zinc/18/25/00/679182500.db2.gz WSAZYUNOZKAVLL-IBGZPJMESA-N 1 0 367.559 2.183 20 30 FEEDRO CC(C)(c1nnc(NC(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)s1)c1ccccc1 ZINC000841109472 680863780 /nfs/dbraw/zinc/86/37/80/680863780.db2.gz IJRAMKPQXJMWLQ-WCQYABFASA-N 1 0 356.455 2.097 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N[C@H](C)[C@H](O)c2c(F)cccc2Cl)CC1 ZINC000748001951 679920080 /nfs/dbraw/zinc/92/00/80/679920080.db2.gz UKXILNVYKYNMKL-PXAZEXFGSA-N 1 0 352.837 2.362 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CCc2ccc(F)c(F)c2)C1 ZINC001015721774 680049487 /nfs/dbraw/zinc/04/94/87/680049487.db2.gz OMDUQRZVMOXNIK-RKVPGOIHSA-N 1 0 350.409 2.289 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)NC[C@H](C)CNC(=O)OC(C)(C)C)CC1 ZINC000749839882 680079726 /nfs/dbraw/zinc/07/97/26/680079726.db2.gz FZBGGPGLUFRADU-AWEZNQCLSA-N 1 0 354.495 2.097 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CC[NH+](CCCCO)CC1 ZINC000750055765 680097696 /nfs/dbraw/zinc/09/76/96/680097696.db2.gz PQSSPVBRTXLVOL-QGZVFWFLSA-N 1 0 365.543 2.041 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]C[C@H](O)C2CCCCC2)C1 ZINC001020726370 680113758 /nfs/dbraw/zinc/11/37/58/680113758.db2.gz HSHGCLGQANEWIJ-VMXHOPILSA-N 1 0 350.503 2.146 20 30 FEEDRO C=C(Cl)C(C)(C)C(=O)N1C[C@@H]2CN(C(=O)[C@H](CC)[NH+](C)C)C[C@]2(C)C1 ZINC000993161184 680152076 /nfs/dbraw/zinc/15/20/76/680152076.db2.gz GDZGJJCHGQGLIB-YZVOILCLSA-N 1 0 369.937 2.412 20 30 FEEDRO CN(CCC#N)C(=O)CC[N@@H+]1CCN(C(=O)OC(C)(C)C)C(C)(C)C1 ZINC000832703489 680168297 /nfs/dbraw/zinc/16/82/97/680168297.db2.gz WHYDIJIPRBGPKN-UHFFFAOYSA-N 1 0 352.479 2.080 20 30 FEEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)CCCCOc1ccc(Br)cc1 ZINC000834485001 680233371 /nfs/dbraw/zinc/23/33/71/680233371.db2.gz QVCSMGWUGKJTBL-IUODEOHRSA-N 1 0 366.259 2.226 20 30 FEEDRO Cc1cc(C(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)c2ccc(Br)cc2n1 ZINC000834488536 680233709 /nfs/dbraw/zinc/23/37/09/680233709.db2.gz DEWDILFQXROBNB-BONVTDFDSA-N 1 0 359.227 2.147 20 30 FEEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1 ZINC000834494678 680235005 /nfs/dbraw/zinc/23/50/05/680235005.db2.gz OUYSZINDKDGQGO-TVQRCGJNSA-N 1 0 350.209 2.020 20 30 FEEDRO Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000834498852 680235437 /nfs/dbraw/zinc/23/54/37/680235437.db2.gz CEWAEKWUPNFWQD-HOCLYGCPSA-N 1 0 357.845 2.043 20 30 FEEDRO Cc1noc(C)c1CSc1ccccc1C(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000834516825 680237105 /nfs/dbraw/zinc/23/71/05/680237105.db2.gz MKVSNHGHWDZRGC-CJNGLKHVSA-N 1 0 356.451 2.425 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[N@@H+](C[C@H](OC)C2CCCC2)CC1 ZINC000981994323 680261082 /nfs/dbraw/zinc/26/10/82/680261082.db2.gz CVRWNRXVXHVVQK-QYZOEREBSA-N 1 0 350.503 2.317 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(C1)CCC[N@@H+](Cc1scnc1C)C2 ZINC000982023550 680263792 /nfs/dbraw/zinc/26/37/92/680263792.db2.gz LTLLLTOYJQJCTP-CVEARBPZSA-N 1 0 361.511 2.467 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]Cc2csnc2OC)C1 ZINC001024165898 680282716 /nfs/dbraw/zinc/28/27/16/680282716.db2.gz XRUVHFYKNPNGAL-BMFZPTHFSA-N 1 0 365.499 2.071 20 30 FEEDRO C#CC(=O)NCCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000753945959 680325803 /nfs/dbraw/zinc/32/58/03/680325803.db2.gz BVKHLQNKSQWIIR-UHFFFAOYSA-N 1 0 353.388 2.357 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCC2CCOCC2)C(C)(C)C1 ZINC000996331332 680328777 /nfs/dbraw/zinc/32/87/77/680328777.db2.gz QVMKZBQDTDTRSZ-FGTMMUONSA-N 1 0 350.503 2.221 20 30 FEEDRO CC(C)(C)OC(=O)NC[C@@H]([NH2+]CC(=O)NCCC#N)C1CCCCC1 ZINC000754186785 680342698 /nfs/dbraw/zinc/34/26/98/680342698.db2.gz WRBMGMSQFBWTLY-OAHLLOKOSA-N 1 0 352.479 2.079 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC([NH2+][C@H](C)c2csnn2)CC1 ZINC000997086281 680346802 /nfs/dbraw/zinc/34/68/02/680346802.db2.gz YRRVZCHMWWMUHY-INWMFGNUSA-N 1 0 350.488 2.161 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC([NH2+][C@@H](C)c2csnn2)CC1 ZINC000997086282 680346872 /nfs/dbraw/zinc/34/68/72/680346872.db2.gz YRRVZCHMWWMUHY-NOLJZWGESA-N 1 0 350.488 2.161 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)NC1CCC([NH2+]Cc2csnc2OC)CC1 ZINC001026563818 680347217 /nfs/dbraw/zinc/34/72/17/680347217.db2.gz IFWWECGGHRNPRY-FJBKBRRZSA-N 1 0 365.499 2.260 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CCC([NH2+]Cc2snnc2C)CC1 ZINC001026575401 680347643 /nfs/dbraw/zinc/34/76/43/680347643.db2.gz PLHWRLCHTYBVLC-NDTCATRNSA-N 1 0 364.515 2.345 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2csc(Cl)n2)C1 ZINC001027076486 680354806 /nfs/dbraw/zinc/35/48/06/680354806.db2.gz OXOAGRSYYMMJQE-BNOWGMLFSA-N 1 0 355.891 2.326 20 30 FEEDRO C=C(Cl)C[N@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2C[C@H]2C(=O)N(C)C)CC1 ZINC000998110144 680375455 /nfs/dbraw/zinc/37/54/55/680375455.db2.gz MHNLTJNSORRRTN-OAGGEKHMSA-N 1 0 355.910 2.166 20 30 FEEDRO N#Cc1ccc(C[N@H+]2CC[C@H](CNC(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)C2)s1 ZINC001028697330 680380432 /nfs/dbraw/zinc/38/04/32/680380432.db2.gz NMGGCYGWPHLGFK-IDCJVQTKSA-N 1 0 359.495 2.373 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+](Cc2snnc2C)C1 ZINC001028856072 680384943 /nfs/dbraw/zinc/38/49/43/680384943.db2.gz WVAVJEKLOYORRC-ZOBUZTSGSA-N 1 0 364.515 2.156 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1CC[N@H+](CCc2ccns2)C1 ZINC001028855769 680385219 /nfs/dbraw/zinc/38/52/19/680385219.db2.gz MKOSHDLJIHZVCB-NJAFHUGGSA-N 1 0 363.527 2.495 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CC[N@H+](CCc2csc(C)n2)C1 ZINC001028860784 680385832 /nfs/dbraw/zinc/38/58/32/680385832.db2.gz DTODCFVMMCDYDS-NJAFHUGGSA-N 1 0 363.527 2.413 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H](C[N@@H+](C)Cc2snnc2C)C1 ZINC001029741532 680391155 /nfs/dbraw/zinc/39/11/55/680391155.db2.gz VXJDPUJLRAIBKA-XHSDSOJGSA-N 1 0 364.515 2.108 20 30 FEEDRO C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CN(c3ccccn3)C[C@H]2C)C1 ZINC000999184938 680397302 /nfs/dbraw/zinc/39/73/02/680397302.db2.gz GSAPNURGWHIRPJ-DJIMGWMZSA-N 1 0 362.905 2.487 20 30 FEEDRO CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[C@H]2CN3Cc2ccc(C#N)s2)CC[N@@H+]1C ZINC001032412210 680412913 /nfs/dbraw/zinc/41/29/13/680412913.db2.gz MJKWUMQIFGRJBW-DFEHZGFQSA-N 1 0 358.511 2.135 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2cnc(Cl)s2)C1 ZINC001000234936 680424309 /nfs/dbraw/zinc/42/43/09/680424309.db2.gz LETVXKOECVAPPX-BNOWGMLFSA-N 1 0 355.891 2.468 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]C[C@@H]2CCCOC2)CC1 ZINC001034754782 680440256 /nfs/dbraw/zinc/44/02/56/680440256.db2.gz RLQJZXYFWUHAFS-VMXHOPILSA-N 1 0 350.503 2.411 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([N@H+](C)C[C@H]2CCCOC2)CC1 ZINC000985435455 680447630 /nfs/dbraw/zinc/44/76/30/680447630.db2.gz KVMAEVLTWOEWIB-QRQLOZEOSA-N 1 0 350.503 2.317 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC2(C[NH+](CCc3ccns3)C2)CC1 ZINC001035801171 680452621 /nfs/dbraw/zinc/45/26/21/680452621.db2.gz WBYPBQWABYBAQD-SJORKVTESA-N 1 0 361.511 2.201 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)NCC1CC[NH+](CC[C@H]2CCOC2)CC1 ZINC001001412480 680460934 /nfs/dbraw/zinc/46/09/34/680460934.db2.gz BAHCVDIGMQIMPB-OTWHNJEPSA-N 1 0 350.503 2.222 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC([N@H+](C)CC[C@@H]2CCOC2)CC1 ZINC000985695493 680471445 /nfs/dbraw/zinc/47/14/45/680471445.db2.gz WOWZOBGVWZZIKZ-NEWSRXKRSA-N 1 0 350.503 2.317 20 30 FEEDRO C#C[C@H](NC(=O)N1C[C@H]2CC[N@@H+](C)[C@H]2C1)c1ccc(Br)cc1 ZINC000836519597 680479677 /nfs/dbraw/zinc/47/96/77/680479677.db2.gz OIRZZOOBFMUPQW-KBMXLJTQSA-N 1 0 362.271 2.469 20 30 FEEDRO C=C(Br)CN1CC[C@]2(CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC001041296513 680503218 /nfs/dbraw/zinc/50/32/18/680503218.db2.gz IBBYLAMYUUQNGO-INMHGKMJSA-N 1 0 370.335 2.160 20 30 FEEDRO C=C(Cl)C(C)(C)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](C)CC1)C2 ZINC001003745195 680541208 /nfs/dbraw/zinc/54/12/08/680541208.db2.gz GLFOUQXROQPOEI-OAGGEKHMSA-N 1 0 367.921 2.355 20 30 FEEDRO C=C(Cl)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)CC1 ZINC001004549365 680559844 /nfs/dbraw/zinc/55/98/44/680559844.db2.gz YHCZPTGUGNQUFK-IXDOHACOSA-N 1 0 367.921 2.344 20 30 FEEDRO C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1Nc1snc(Cl)c1C#N ZINC001043206578 680566046 /nfs/dbraw/zinc/56/60/46/680566046.db2.gz UABKWVCHUVPOGK-ZYHUDNBSSA-N 1 0 353.879 2.023 20 30 FEEDRO Cc1nc[nH]c1CC(=O)N1C[C@@H](C)[C@H](Nc2nc(C#N)c(Cl)s2)C1 ZINC001043274539 680571350 /nfs/dbraw/zinc/57/13/50/680571350.db2.gz OJKNGAAZMZHCFS-PRHODGIISA-N 1 0 364.862 2.201 20 30 FEEDRO C#CCNC(=S)C(C(=O)C1=C(C)C(C(C)=O)C(C)=N1)[n+]1ccccc1 ZINC000759055419 680623904 /nfs/dbraw/zinc/62/39/04/680623904.db2.gz UQSGPFMDWCDQPZ-UHFFFAOYSA-O 1 0 354.455 2.402 20 30 FEEDRO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2Nc2ncc(C#N)cc2Cl)C1 ZINC001045497936 680632065 /nfs/dbraw/zinc/63/20/65/680632065.db2.gz NVFNWVKOCAWXDS-FVQBIDKESA-N 1 0 361.877 2.398 20 30 FEEDRO C=C(C)C[NH+]1CCC2(CO[C@H](CNC(=O)[C@@H]3CCO[C@H]3CC)C2)CC1 ZINC001045673244 680637689 /nfs/dbraw/zinc/63/76/89/680637689.db2.gz AGYMJHFYVKBOQZ-KSZLIROESA-N 1 0 350.503 2.365 20 30 FEEDRO C=C(Cl)C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CC[C@@H](C(N)=O)C1)C2 ZINC001045967143 680642710 /nfs/dbraw/zinc/64/27/10/680642710.db2.gz NDWDGEDWHTVHQL-GJYPPUQNSA-N 1 0 367.921 2.345 20 30 FEEDRO CC(C)Oc1cc(Br)cc(NC(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)c1 ZINC000841136471 680865276 /nfs/dbraw/zinc/86/52/76/680865276.db2.gz TWWWWUCPRBGPIT-IINYFYTJSA-N 1 0 367.247 2.469 20 30 FEEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)Nc1cc(Br)c(F)cc1Cl ZINC000841144158 680865612 /nfs/dbraw/zinc/86/56/12/680865612.db2.gz XZNVPMRJQYKZLI-UPONEAKYSA-N 1 0 361.602 2.475 20 30 FEEDRO COC(=O)c1c2c(sc1NC(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N)CCCCC2 ZINC000841159961 680866722 /nfs/dbraw/zinc/86/67/22/680866722.db2.gz OEYGWDYYDDDGJS-CMPLNLGQSA-N 1 0 362.455 2.037 20 30 FEEDRO CCOc1ccc(NC(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)cc1Br ZINC000841200434 680868761 /nfs/dbraw/zinc/86/87/61/680868761.db2.gz BAZUIUXLRSXWSB-CABZTGNLSA-N 1 0 353.220 2.081 20 30 FEEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)Nc1cccc2cc(Br)cnc21 ZINC000841237025 680870531 /nfs/dbraw/zinc/87/05/31/680870531.db2.gz GCNFUNNNGVYERF-MFKMUULPSA-N 1 0 360.215 2.230 20 30 FEEDRO Cc1nc(NC(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)sc1Cc1ccccc1F ZINC000841258837 680871911 /nfs/dbraw/zinc/87/19/11/680871911.db2.gz HQLPPSWUQZGZMG-TZMCWYRMSA-N 1 0 359.430 2.415 20 30 FEEDRO C=CCS(=O)(=O)CC[NH2+][C@H](C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000768250903 680941976 /nfs/dbraw/zinc/94/19/76/680941976.db2.gz DEYAXYISWRTPOL-CQSZACIVSA-N 1 0 360.520 2.212 20 30 FEEDRO CC(C)(C)[NH+]=C(NCCCN1CCOCC1)NCc1ccccc1F ZINC000912498575 685387089 /nfs/dbraw/zinc/38/70/89/685387089.db2.gz BLADBDOEUZYWHM-UHFFFAOYSA-N 1 0 350.482 2.382 20 30 FEEDRO C[C@H](C[C@H](O)c1cccs1)[NH2+]CCS(=O)(=O)c1cccc(C#N)c1 ZINC000843103448 680987965 /nfs/dbraw/zinc/98/79/65/680987965.db2.gz BGXAZRACMRXAMD-CJNGLKHVSA-N 1 0 364.492 2.495 20 30 FEEDRO CSCCNC(=S)NN=C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000769601697 680988763 /nfs/dbraw/zinc/98/87/63/680988763.db2.gz HMKOWLXYECVYQX-UHFFFAOYSA-N 1 0 361.540 2.337 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)c2cc(Cl)ccc2-n2cncn2)CC1 ZINC000843803240 681019234 /nfs/dbraw/zinc/01/92/34/681019234.db2.gz KBVJXZLEYBTBSS-UHFFFAOYSA-N 1 0 357.845 2.138 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N[C@@H](CO)c2ccc(C(F)(F)F)cc2)CC1 ZINC000770886069 681031057 /nfs/dbraw/zinc/03/10/57/681031057.db2.gz SOUYHTXKAYFABX-INIZCTEOSA-N 1 0 354.372 2.200 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[C@H](C[NH2+]Cc2csnn2)CC1 ZINC001050327551 681045008 /nfs/dbraw/zinc/04/50/08/681045008.db2.gz AFXHBSDLIAFURC-SRABZTEZSA-N 1 0 364.515 2.284 20 30 FEEDRO C=C(Br)CN1CCC2(CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)CC1 ZINC001050523733 681049382 /nfs/dbraw/zinc/04/93/82/681049382.db2.gz IBXVFQHQTCLPJR-HUUCEWRRSA-N 1 0 370.335 2.160 20 30 FEEDRO COCCN(C(=O)OC(C)(C)C)C1CC[NH+](CCO[C@@H](C)C#N)CC1 ZINC000844356851 681053601 /nfs/dbraw/zinc/05/36/01/681053601.db2.gz UBESVYOALHITGI-HNNXBMFYSA-N 1 0 355.479 2.263 20 30 FEEDRO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(CNC(=O)OC(C)(C)C)C1 ZINC000844360526 681053807 /nfs/dbraw/zinc/05/38/07/681053807.db2.gz QSVHPPMVJARHAR-VCBZYWHSSA-N 1 0 351.491 2.304 20 30 FEEDRO C[C@@H]1CCC[N@@H+]1CC(=O)N[C@H]1CCN(c2ncc(C#N)cc2Cl)[C@@H]1C ZINC001051027575 681060643 /nfs/dbraw/zinc/06/06/43/681060643.db2.gz XDRKEICSXHRQIL-IOASZLSFSA-N 1 0 361.877 2.174 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@H](C[NH2+]Cc2ccccc2Cl)C1 ZINC001051834613 681069787 /nfs/dbraw/zinc/06/97/87/681069787.db2.gz SBXNIEBLBAFMQC-NUJGCVRESA-N 1 0 364.873 2.248 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](CC2CCOCC2)CC1 ZINC001052786455 681086486 /nfs/dbraw/zinc/08/64/86/681086486.db2.gz VSPJOUAVVDCQFR-FHWLQOOXSA-N 1 0 350.503 2.365 20 30 FEEDRO C=C(Cl)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1C[C@@H]3O[C@H]1[C@H]1C[C@H]13)C2 ZINC001054166998 681106297 /nfs/dbraw/zinc/10/62/97/681106297.db2.gz OOPXZUXPMNEBRD-MPTZMVSHSA-N 1 0 350.890 2.477 20 30 FEEDRO C=C[C@H](C)ONC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000845626410 681142035 /nfs/dbraw/zinc/14/20/35/681142035.db2.gz GRIJMIXTAJYWOL-CGTJXYLNSA-N 1 0 352.523 2.471 20 30 FEEDRO C=C[C@@H](C)ONC(=O)N[C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000845643294 681142664 /nfs/dbraw/zinc/14/26/64/681142664.db2.gz YDNUINLCMCGZEC-KGLIPLIRSA-N 1 0 350.438 2.444 20 30 FEEDRO N#CC[C@H](NC(=O)NC1CC[NH+](Cc2ccccn2)CC1)C(F)(F)F ZINC000932928153 681330147 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FEEDRO CO[C@@H]1CC[C@H]1[N@H+](C)CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000934117085 681511100 /nfs/dbraw/zinc/51/11/00/681511100.db2.gz JXKMVNNNGSCCDC-HZPDHXFCSA-N 1 0 354.372 2.282 20 30 FEEDRO CC[NH+](CC)CCOc1ccc(CNS(=O)(=O)CC(C)(C)C#N)cc1 ZINC000777817307 681534146 /nfs/dbraw/zinc/53/41/46/681534146.db2.gz GWYNWQFFKQDVCR-UHFFFAOYSA-N 1 0 367.515 2.376 20 30 FEEDRO N#Cc1ccsc1NC(=O)CC[N@@H+]1C[C@@H](Cc2ccccc2)[C@H](O)C1 ZINC000934437588 681572962 /nfs/dbraw/zinc/57/29/62/681572962.db2.gz IJYUFERBZYMRTK-IAGOWNOFSA-N 1 0 355.463 2.484 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000848581153 681582023 /nfs/dbraw/zinc/58/20/23/681582023.db2.gz KELJIRFSLBWZCT-UHFFFAOYSA-N 1 0 355.341 2.333 20 30 FEEDRO COc1ccc(C[NH+]2CCC(CN=[S@@](C)(=O)N(C)C)CC2)cc1C#N ZINC000934751200 681621541 /nfs/dbraw/zinc/62/15/41/681621541.db2.gz IJFGGUYMDLUTEA-RUZDIDTESA-N 1 0 364.515 2.353 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC2(CC1)C[N@H+](CCCC)CCO2 ZINC000949492391 681643884 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2.438 20 30 FEEDRO O=C(NCC[NH2+]Cc1cc(F)ccc1OC(F)F)C1N=CC=CC1=O ZINC000850137308 681857789 /nfs/dbraw/zinc/85/77/89/681857789.db2.gz MKBLYEPFDWOHKO-CCEZHUSRSA-N 1 0 355.316 2.043 20 30 FEEDRO C[C@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1cncc(Br)c1 ZINC000850444844 681902687 /nfs/dbraw/zinc/90/26/87/681902687.db2.gz ZWHGNBRTQGWHAH-SJHSGFPMSA-N 1 0 365.231 2.021 20 30 FEEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)Nc1ncc(Cc2cc(F)cc(F)c2)s1 ZINC000850764792 681958224 /nfs/dbraw/zinc/95/82/24/681958224.db2.gz TVHZHLMNFJVVEQ-YGRLFVJLSA-N 1 0 363.393 2.245 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)NCc2cc(F)ccc2Br)CC1 ZINC000914277362 685502189 /nfs/dbraw/zinc/50/21/89/685502189.db2.gz JLJJNXDOFNYNCC-UHFFFAOYSA-N 1 0 368.250 2.485 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)NCc2ccc(Br)c(F)c2)CC1 ZINC000915342638 685514402 /nfs/dbraw/zinc/51/44/02/685514402.db2.gz ZSWCYESOLCMRBS-UHFFFAOYSA-N 1 0 368.250 2.485 20 30 FEEDRO N#Cc1ccc(C[NH2+]CC2CC(NC(=O)[C@@H]3CCO[C@H]3C3CC3)C2)s1 ZINC000962112133 682110430 /nfs/dbraw/zinc/11/04/30/682110430.db2.gz YNYCPUOBIPUEHO-VQHUDLGKSA-N 1 0 359.495 2.419 20 30 FEEDRO COCCCNC(=S)NN=C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000915944002 685519821 /nfs/dbraw/zinc/51/98/21/685519821.db2.gz BTARODYQXGSSDH-UHFFFAOYSA-N 1 0 366.506 2.321 20 30 FEEDRO CC(CC[NH+](C)C)N=Nc1ccc(S(=O)(=O)NC2CCCC2)cn1 ZINC000915962734 685519998 /nfs/dbraw/zinc/51/99/98/685519998.db2.gz WTNFPWPFXHJCTE-UHFFFAOYSA-N 1 0 353.492 2.042 20 30 FEEDRO C#C[C@H]([NH2+]C[C@H](O)COc1cc(F)cc(Br)c1)[C@H]1CCCO1 ZINC000784353177 682219287 /nfs/dbraw/zinc/21/92/87/682219287.db2.gz XZGDYBJXRUSMHF-CWRNSKLLSA-N 1 0 372.234 2.098 20 30 FEEDRO C[C@H](CNC(=O)N1CCN(c2ccsc2C#N)CC1)[NH+]1CCCCC1 ZINC000852185902 682235591 /nfs/dbraw/zinc/23/55/91/682235591.db2.gz VVNIIFJFGHPNOV-OAHLLOKOSA-N 1 0 361.515 2.326 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)NC[C@H]1CCN(c2ccccc2Cl)C1 ZINC000852357431 682265851 /nfs/dbraw/zinc/26/58/51/682265851.db2.gz BECGAWAAXVFHTO-MRXNPFEDSA-N 1 0 362.905 2.421 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]Cc2c(C)nn(C)c2Cl)C1 ZINC000970239275 682290916 /nfs/dbraw/zinc/29/09/16/682290916.db2.gz KICVXJOMHVGWFC-YCPHGPKFSA-N 1 0 366.893 2.054 20 30 FEEDRO C[C@H](CNC(=O)C#CC1CC[NH2+]CC1)Oc1cccc(Br)c1 ZINC000852847871 682350037 /nfs/dbraw/zinc/35/00/37/682350037.db2.gz WBYVVWOYQFEMCV-CYBMUJFWSA-N 1 0 365.271 2.336 20 30 FEEDRO C=C(Cl)C(C)(C)C(=O)N1CC[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+](C)C)[C@@H]2C1 ZINC000972665394 682429137 /nfs/dbraw/zinc/42/91/37/682429137.db2.gz RNJUNTNHAYYMLT-OAGGEKHMSA-N 1 0 369.937 2.411 20 30 FEEDRO N#Cc1ncc(Br)cc1N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000853720467 682460842 /nfs/dbraw/zinc/46/08/42/682460842.db2.gz ZGVILTZTHGBZAK-AWEZNQCLSA-N 1 0 365.275 2.407 20 30 FEEDRO Cc1c(Br)c(C)n(N=Cc2c[nH+]ccc2N(C)C)c(=O)c1C#N ZINC000788454140 682531101 /nfs/dbraw/zinc/53/11/01/682531101.db2.gz OXLWLPXRVJACGH-UHFFFAOYSA-N 1 0 374.242 2.443 20 30 FEEDRO C#CCOc1ccccc1CNS(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000788627847 682543939 /nfs/dbraw/zinc/54/39/39/682543939.db2.gz QJRQXABYVQWYOE-UHFFFAOYSA-N 1 0 358.463 2.239 20 30 FEEDRO CC(C)[C@H]1CN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)CC[NH2+]1 ZINC000856490879 682789077 /nfs/dbraw/zinc/78/90/77/682789077.db2.gz TYVZSYTZVQBYBZ-LSDHHAIUSA-N 1 0 352.479 2.030 20 30 FEEDRO CC(C)(C#N)C[C@H](O)C[NH2+]C[C@@H](O)c1cc(Cl)c2c(c1)OCCO2 ZINC000857242791 682868695 /nfs/dbraw/zinc/86/86/95/682868695.db2.gz NEHUKCHMQAGAPA-GXTWGEPZSA-N 1 0 354.834 2.035 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N(C)C[C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000858236536 682947806 /nfs/dbraw/zinc/94/78/06/682947806.db2.gz RFXDBUBBBDVGEJ-CQSZACIVSA-N 1 0 354.495 2.191 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1cccc(N=S(C)(C)=O)c1 ZINC000858776403 683001780 /nfs/dbraw/zinc/00/17/80/683001780.db2.gz WIDULCRJGCGONP-UHFFFAOYSA-N 1 0 350.488 2.353 20 30 FEEDRO C=CCS(=O)(=O)CC[NH2+][C@@H]1CCCc2ncc(Br)cc21 ZINC000926127465 683079931 /nfs/dbraw/zinc/07/99/31/683079931.db2.gz RJVMELDPZNXFAO-CYBMUJFWSA-N 1 0 359.289 2.412 20 30 FEEDRO CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)c1cc(C#N)ccc1Cl)C2 ZINC000926150075 683083057 /nfs/dbraw/zinc/08/30/57/683083057.db2.gz FMTJDLULNQDWSZ-MTNOOBJLSA-N 1 0 361.873 2.421 20 30 FEEDRO C#CCCOc1ccc(C[NH2+]C[C@@H]2CCCC[C@H]2NS(C)(=O)=O)cc1 ZINC000796485858 683165106 /nfs/dbraw/zinc/16/51/06/683165106.db2.gz OSJJKECHGCFLAE-PKOBYXMFSA-N 1 0 364.511 2.286 20 30 FEEDRO C#CCSCC[NH2+][C@@H](C1CC1)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000796815699 683197873 /nfs/dbraw/zinc/19/78/73/683197873.db2.gz GBJOLDOCHGUSSV-CVEARBPZSA-N 1 0 354.516 2.357 20 30 FEEDRO C=CCN1CC[C@H]([NH2+][C@@H]2CCCC[C@@H]2CNC(=O)OC(C)(C)C)C1=O ZINC000799165001 683431512 /nfs/dbraw/zinc/43/15/12/683431512.db2.gz PTCOLSIEKCUGNC-OAGGEKHMSA-N 1 0 351.491 2.446 20 30 FEEDRO C=CCN1CC[C@H]([NH2+][C@H](C)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1=O ZINC000799165689 683431569 /nfs/dbraw/zinc/43/15/69/683431569.db2.gz KOOKMMHZSQGWRS-PMPSAXMXSA-N 1 0 351.491 2.399 20 30 FEEDRO N#CC1(CCC[NH+]2CCC(CNC(=O)C(F)(F)F)CC2)CCOCC1 ZINC000799174860 683432752 /nfs/dbraw/zinc/43/27/52/683432752.db2.gz SMLCTLFSNSRLSF-UHFFFAOYSA-N 1 0 361.408 2.477 20 30 FEEDRO CCCCCCCCNC(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000861773090 683470320 /nfs/dbraw/zinc/47/03/20/683470320.db2.gz IEGJLZOFXZROHP-UONOGXRCSA-N 1 0 365.440 2.449 20 30 FEEDRO Cc1ccc(S(=O)(=O)N[C@@H](CC[NH+](C)C)c2cccnc2)c(C#N)c1 ZINC000921478944 683480837 /nfs/dbraw/zinc/48/08/37/683480837.db2.gz XVQLCTWXAOMDJL-KRWDZBQOSA-N 1 0 358.467 2.233 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)c2ccc(S(=O)(=O)CCCC)cc2)CC1 ZINC000928652854 683482074 /nfs/dbraw/zinc/48/20/74/683482074.db2.gz PJIRJWDZFRNASQ-UHFFFAOYSA-N 1 0 362.495 2.088 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000928655639 683482348 /nfs/dbraw/zinc/48/23/48/683482348.db2.gz VHPJLRPHSQMMSF-UHFFFAOYSA-N 1 0 365.817 2.231 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)Cc2cccc(OCC(F)(F)F)c2)CC1 ZINC000928654596 683482360 /nfs/dbraw/zinc/48/23/60/683482360.db2.gz IXLCEAYPUHZWPR-UHFFFAOYSA-N 1 0 354.372 2.384 20 30 FEEDRO N#CC[C@H](NC(=O)CC[NH+]1CCN(c2ccccc2)CC1)C(F)(F)F ZINC000928805434 683506223 /nfs/dbraw/zinc/50/62/23/683506223.db2.gz GCQQIGPDMHLHNK-HNNXBMFYSA-N 1 0 354.376 2.159 20 30 FEEDRO N#Cc1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3CN2C(=O)C(F)(F)F)o1 ZINC000862537550 683598460 /nfs/dbraw/zinc/59/84/60/683598460.db2.gz CLHCQJCRVCLVME-QOWREQOWSA-N 1 0 353.344 2.382 20 30 FEEDRO N#Cc1ccc(C[N@@H+]2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3CN2C(=O)C(F)(F)F)o1 ZINC000862537549 683598515 /nfs/dbraw/zinc/59/85/15/683598515.db2.gz CLHCQJCRVCLVME-PUPMMZHASA-N 1 0 353.344 2.382 20 30 FEEDRO N#Cc1ccc(Br)c(C[NH2+]C[C@@H]2COC3(CCOCC3)O2)c1 ZINC000921974379 683629502 /nfs/dbraw/zinc/62/95/02/683629502.db2.gz OVGIXDVXKUFAKI-CQSZACIVSA-N 1 0 367.243 2.332 20 30 FEEDRO C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1c(Cl)ccc(F)c1F ZINC000922022596 683638894 /nfs/dbraw/zinc/63/88/94/683638894.db2.gz OTKZYDHEEBTWFA-UHFFFAOYSA-N 1 0 362.829 2.336 20 30 FEEDRO C=C(C[NH+](C)C)C(=O)N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O ZINC000862962652 683656567 /nfs/dbraw/zinc/65/65/67/683656567.db2.gz YLGXYEOSZSINOZ-AWEZNQCLSA-N 1 0 355.360 2.045 20 30 FEEDRO C#Cc1ccc(NC(=O)CC[N@@H+](C)[C@@H]2CCCC[C@H]2S(C)(=O)=O)cc1 ZINC000930000615 683667325 /nfs/dbraw/zinc/66/73/25/683667325.db2.gz NCCGKUBIBJYILY-QZTJIDSGSA-N 1 0 362.495 2.284 20 30 FEEDRO CN(Cc1cc(C#N)cs1)C(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000930212132 683693792 /nfs/dbraw/zinc/69/37/92/683693792.db2.gz IDSXAGRJZPIBEO-OAHLLOKOSA-N 1 0 364.515 2.061 20 30 FEEDRO C#CCOc1ccc(Br)cc1C[NH2+]C1CC(CC(N)=O)C1 ZINC000922510229 683737700 /nfs/dbraw/zinc/73/77/00/683737700.db2.gz CMGOPYYYDYQOMG-UHFFFAOYSA-N 1 0 351.244 2.205 20 30 FEEDRO N#CC1(C[C@@H](O)C[NH2+]C[C@H]2COC3(CCCCCC3)O2)CCOCC1 ZINC000863553487 683742259 /nfs/dbraw/zinc/74/22/59/683742259.db2.gz CKJPBLZGQQGVCJ-SJORKVTESA-N 1 0 352.475 2.113 20 30 FEEDRO C=CCN(CC(F)(F)F)C(=O)[C@H](C[NH+](C)C)NC(=O)OC(C)(C)C ZINC000865045736 683927155 /nfs/dbraw/zinc/92/71/55/683927155.db2.gz HGGRHCHIDBTEAU-NSHDSACASA-N 1 0 353.385 2.018 20 30 FEEDRO C[NH+]1CCC(NC(=S)Nc2cnn(Cc3ccc(C#N)cc3)c2)CC1 ZINC000865258311 683958265 /nfs/dbraw/zinc/95/82/65/683958265.db2.gz VQIFCQYSXGSIBT-UHFFFAOYSA-N 1 0 354.483 2.184 20 30 FEEDRO CN(C)c1ccc(C#N)cc1C[NH2+]C[C@H]1CS(=O)(=O)c2ccccc21 ZINC000865583833 684001238 /nfs/dbraw/zinc/00/12/38/684001238.db2.gz XFNIEBVIZHHMDL-INIZCTEOSA-N 1 0 355.463 2.285 20 30 FEEDRO C[C@@H]1CCC[C@](C#N)(NC(=O)[C@H](C[NH+](C)C)NC(=O)OC(C)(C)C)C1 ZINC000865919270 684045454 /nfs/dbraw/zinc/04/54/54/684045454.db2.gz DDSYGRWEKNJARU-GLJUWKHASA-N 1 0 352.479 2.030 20 30 FEEDRO N#Cc1cc(F)cc(S(=O)(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000866880376 684172858 /nfs/dbraw/zinc/17/28/58/684172858.db2.gz OSBLOCNZNMXAJN-CQSZACIVSA-N 1 0 351.447 2.194 20 30 FEEDRO N#CCc1ccsc1C(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000867314027 684245494 /nfs/dbraw/zinc/24/54/94/684245494.db2.gz KHLORGSCIQQJDC-QGZVFWFLSA-N 1 0 355.463 2.311 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)NC[C@@H](OC2CCCC2)C(F)(F)F)CC1 ZINC000923232857 684246261 /nfs/dbraw/zinc/24/62/61/684246261.db2.gz NSIKKRADQYTHHZ-OAHLLOKOSA-N 1 0 361.408 2.273 20 30 FEEDRO C#CC[C@H](CO)NC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000923449155 684282461 /nfs/dbraw/zinc/28/24/61/684282461.db2.gz KNUJAIADIREVTQ-DOMZBBRYSA-N 1 0 358.269 2.280 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)C(=O)NCc1cc(N(C)C)cc[nH+]1 ZINC000931602526 684311100 /nfs/dbraw/zinc/31/11/00/684311100.db2.gz FTEDOZOUSJWJNU-UHFFFAOYSA-N 1 0 358.467 2.040 20 30 FEEDRO C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)CC[C@H]1C[NH3+] ZINC000923704855 684336504 /nfs/dbraw/zinc/33/65/04/684336504.db2.gz VAABOBZKULWDKU-MNOVXSKESA-N 1 0 361.389 2.182 20 30 FEEDRO N#Cc1cc(S(=O)(=O)N2CC[C@@]3(C2)CCCC[NH2+]3)ccc1C(F)(F)F ZINC000923734703 684342148 /nfs/dbraw/zinc/34/21/48/684342148.db2.gz CNOFBXXZTFISDR-OAHLLOKOSA-N 1 0 373.400 2.484 20 30 FEEDRO N#Cc1ccc(CS(=O)(=O)N[C@H]2C[C@@](C[NH3+])(c3ccccc3)C2)cc1 ZINC000923740432 684344115 /nfs/dbraw/zinc/34/41/15/684344115.db2.gz MWULDKZVIDIIFS-KDURUIRLSA-N 1 0 355.463 2.037 20 30 FEEDRO C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)c3ccc(C(F)(F)F)c(C#N)c3)CC[C@@H]21 ZINC000867806602 684393987 /nfs/dbraw/zinc/39/39/87/684393987.db2.gz GXSUNPWZOUGVQJ-ABAIWWIYSA-N 1 0 373.400 2.292 20 30 FEEDRO CCN(C[C@H](C)C#N)S(=O)(=O)N(CC(C)C)CC1CC[NH+](C)CC1 ZINC000867864137 684413561 /nfs/dbraw/zinc/41/35/61/684413561.db2.gz PCTMGICGHLRSLX-MRXNPFEDSA-N 1 0 358.552 2.013 20 30 FEEDRO N#Cc1cccc(C2(NC(=O)N[C@@H]3CCC[N@@H+]4CCSC[C@H]34)CC2)c1 ZINC000925165852 684533756 /nfs/dbraw/zinc/53/37/56/684533756.db2.gz LHJPYGDLSDZYPY-IAGOWNOFSA-N 1 0 356.495 2.426 20 30 FEEDRO N#Cc1ccccc1OC[C@H](O)C[NH2+]CCOC(F)(F)C(F)(F)F ZINC000872245164 684931435 /nfs/dbraw/zinc/93/14/35/684931435.db2.gz ZFSMMIBCGFCTOE-LLVKDONJSA-N 1 0 354.275 2.059 20 30 FEEDRO C#C[C@H]1CC[C@H]([NH2+]Cc2cc(Cl)c(OCC(N)=O)c(OC)c2)CC1 ZINC000873198439 685094427 /nfs/dbraw/zinc/09/44/27/685094427.db2.gz KFVJVTIQXOPEEA-MQMHXKEQSA-N 1 0 350.846 2.494 20 30 FEEDRO CCC(C)(C)N(CCC#N)C(=O)[C@H](C[NH+](C)C)NC(=O)OC(C)(C)C ZINC000875569450 686040335 /nfs/dbraw/zinc/04/03/35/686040335.db2.gz FYKMBNQGIAGIHK-AWEZNQCLSA-N 1 0 354.495 2.372 20 30 FEEDRO N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1CCO[C@H](c2cccs2)C1 ZINC000876627706 686231968 /nfs/dbraw/zinc/23/19/68/686231968.db2.gz IWMXEFMFGXNYKN-WMZOPIPTSA-N 1 0 353.447 2.407 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NCC(=O)Nc1ccc(Br)c(C)c1 ZINC000876636161 686233766 /nfs/dbraw/zinc/23/37/66/686233766.db2.gz RFKTWKPADORYDI-LBPRGKRZSA-N 1 0 374.666 2.282 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC(C(=O)Nc2ccc(F)cc2)CC1 ZINC000876640212 686234503 /nfs/dbraw/zinc/23/45/03/686234503.db2.gz NMRRPGAQFRRCLP-HNNXBMFYSA-N 1 0 353.825 2.473 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC(n2cc(Br)cn2)CC1 ZINC000876658197 686238122 /nfs/dbraw/zinc/23/81/22/686238122.db2.gz PIKUANVWGLORME-LBPRGKRZSA-N 1 0 361.671 2.279 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NCCC(=O)Nc1cc(Cl)ccc1OC ZINC000876697119 686246031 /nfs/dbraw/zinc/24/60/31/686246031.db2.gz QHHMEXKXOKQGSQ-NSHDSACASA-N 1 0 360.241 2.263 20 30 FEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H](c1cccc(Cl)c1)N1CCOCC1 ZINC000876751564 686261010 /nfs/dbraw/zinc/26/10/10/686261010.db2.gz ROPXOBVXUUWAMZ-CVEARBPZSA-N 1 0 372.296 2.299 20 30 FEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H]1CCN(c2cc(OC)cc(OC)c2)C1 ZINC000876777468 686266582 /nfs/dbraw/zinc/26/65/82/686266582.db2.gz NFTZYPIGHBPOCB-SUMWQHHRSA-N 1 0 367.877 2.116 20 30 FEEDRO C#CC[N@@H+](Cc1ccc(S(N)(=O)=O)c(Br)c1)C1CCCC1 ZINC000876784899 686268137 /nfs/dbraw/zinc/26/81/37/686268137.db2.gz QVJYNCCLDSFWIR-UHFFFAOYSA-N 1 0 371.300 2.474 20 30 FEEDRO CC[C@@H](C#N)Oc1cc(C[NH2+]CC2CCS(=O)(=O)CC2)ccc1OC ZINC000877029522 686313864 /nfs/dbraw/zinc/31/38/64/686313864.db2.gz FZRMDQHJMGFNMG-INIZCTEOSA-N 1 0 366.483 2.291 20 30 FEEDRO CC(C)CS(=O)(=O)N1CCC([NH2+]Cc2cc(C#N)cnc2Cl)CC1 ZINC000877142596 686332051 /nfs/dbraw/zinc/33/20/51/686332051.db2.gz VDUVOUNIXJAKBG-UHFFFAOYSA-N 1 0 370.906 2.146 20 30 FEEDRO N#Cc1cnc(Cl)c(CNCc2ccccc2C[N@H+]2CC[C@H](O)C2)c1 ZINC000877191247 686337949 /nfs/dbraw/zinc/33/79/49/686337949.db2.gz MMZMMVMWCVPFEM-SFHVURJKSA-N 1 0 356.857 2.463 20 30 FEEDRO CN(CCC#N)C(=O)CC[NH2+][C@H]1C[C@H](NC(=O)OC(C)(C)C)C1(C)C ZINC000878826525 686669440 /nfs/dbraw/zinc/66/94/40/686669440.db2.gz UZSRRKIDNLMOHT-KBPBESRZSA-N 1 0 352.479 2.030 20 30 FEEDRO CN(Cc1ccc(C#N)cc1F)C[C@H](O)CN(C)C(=O)OC(C)(C)C ZINC000879084916 686735132 /nfs/dbraw/zinc/73/51/32/686735132.db2.gz YBHKVJDANIJCIO-HNNXBMFYSA-N 1 0 351.422 2.357 20 30 FEEDRO C[C@@H]1C[N@H+](C[C@H](O)COc2ccc(C#N)cc2)CC[C@H](C(F)(F)F)O1 ZINC000880050401 686986742 /nfs/dbraw/zinc/98/67/42/686986742.db2.gz BYTCEURTIANHDH-IVMMDQJWSA-N 1 0 358.360 2.340 20 30 FEEDRO C[C@@H]1CN(CC(=O)NCc2ccc(C#N)cc2)CC[C@H](C(F)(F)F)O1 ZINC000880061384 686990827 /nfs/dbraw/zinc/99/08/27/686990827.db2.gz UHCFXJIVLZKOBS-IUODEOHRSA-N 1 0 355.360 2.216 20 30 FEEDRO COC(=O)[C@]12CCC[C@H]1[N@@H+]([C@@H]1CCN(c3sccc3C#N)C1=O)CC2 ZINC000880183150 687012754 /nfs/dbraw/zinc/01/27/54/687012754.db2.gz MYVBSUIQICXJPB-LBTNJELSSA-N 1 0 359.451 2.143 20 30 FEEDRO C#CCC1(O)CC[NH+](C[C@@H](O)COc2ccccc2C(F)(F)F)CC1 ZINC000880481511 687052853 /nfs/dbraw/zinc/05/28/53/687052853.db2.gz VNIWLUGUAPBLKI-CQSZACIVSA-N 1 0 357.372 2.295 20 30 FEEDRO N#CCSCCC[N@H+]1CC[C@@]2(C1)CN(Cc1ccccc1)C(=O)CO2 ZINC000880496463 687054781 /nfs/dbraw/zinc/05/47/81/687054781.db2.gz WLLGIPYOIUALGE-LJQANCHMSA-N 1 0 359.495 2.137 20 30 FEEDRO CC(C)(C)[NH+]1CCC(Nc2ccc(C#N)cc2CS(N)(=O)=O)CC1 ZINC000881829521 687228847 /nfs/dbraw/zinc/22/88/47/687228847.db2.gz OODNGNIZNZOZJZ-UHFFFAOYSA-N 1 0 350.488 2.022 20 30 FEEDRO CC1([NH+]2CCC2)CCN(S(=O)(=O)c2cc(C#N)ccc2Cl)CC1 ZINC000882768283 687479907 /nfs/dbraw/zinc/47/99/07/687479907.db2.gz XJTAKUMKIFEMNI-UHFFFAOYSA-N 1 0 353.875 2.461 20 30 FEEDRO Cc1nc(N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)c(Cl)cc1C#N ZINC000882814294 687501213 /nfs/dbraw/zinc/50/12/13/687501213.db2.gz IOYJVXPLYOBESD-UHFFFAOYSA-N 1 0 361.877 2.225 20 30 FEEDRO C[C@H]1CC[N@H+](CCNC(=O)Nc2ccc(Br)c(C#N)n2)C1 ZINC000883093598 687562923 /nfs/dbraw/zinc/56/29/23/687562923.db2.gz ACQUTSCZGIEBSA-JTQLQIEISA-N 1 0 352.236 2.179 20 30 FEEDRO C=C(Br)CNC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883213306 687589100 /nfs/dbraw/zinc/58/91/00/687589100.db2.gz DBSVFKLDBQBYSG-UHFFFAOYSA-N 1 0 367.291 2.146 20 30 FEEDRO CC(C)(C#N)c1ccc(S(=O)(=O)N(CCC[NH3+])CC(F)(F)F)cc1 ZINC000883470636 687639284 /nfs/dbraw/zinc/63/92/84/687639284.db2.gz AYMZWFSINWONAG-UHFFFAOYSA-N 1 0 363.405 2.390 20 30 FEEDRO CCC1([NH3+])CCN(S(=O)(=O)c2ccc(C#N)c(Br)c2)CC1 ZINC000883482788 687646363 /nfs/dbraw/zinc/64/63/63/687646363.db2.gz IUNMBWPVPXCURA-UHFFFAOYSA-N 1 0 372.288 2.213 20 30 FEEDRO CN(C)C(=O)c1ccc(NC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)cc1Cl ZINC000884100912 687789097 /nfs/dbraw/zinc/78/90/97/687789097.db2.gz JBVIPWRPKCCNMD-BJCXPLBRSA-N 1 0 360.845 2.120 20 30 FEEDRO N#C[C@@H]1C[NH2+]CC12CC(C(=O)NC[C@@H](O)c1cc3ccccc3s1)C2 ZINC000884140255 687798682 /nfs/dbraw/zinc/79/86/82/687798682.db2.gz NZYPYDTWBSPWKE-YYHKSVKZSA-N 1 0 355.463 2.190 20 30 FEEDRO C#CCN1CCC[C@@H]([NH2+]Cc2ccc(OC)c(O)c2Br)C1 ZINC000886211131 688214422 /nfs/dbraw/zinc/21/44/22/688214422.db2.gz JQLPLOGXEXHRJC-CYBMUJFWSA-N 1 0 353.260 2.351 20 30 FEEDRO CC(C)(C)OC(=O)N[C@@H]1C[N@H+](C[C@@H](O)CC2(C#N)CCC2)CC[C@H]1F ZINC000886287332 688225603 /nfs/dbraw/zinc/22/56/03/688225603.db2.gz PEPPSNGTGJPNMN-RRFJBIMHSA-N 1 0 355.454 2.368 20 30 FEEDRO C#CCN(C(=O)[C@H](CC)N(C)C(=O)OC(C)(C)C)C1CC[NH+](C)CC1 ZINC000886573701 688278002 /nfs/dbraw/zinc/27/80/02/688278002.db2.gz SPGYADLRUAYWCO-INIZCTEOSA-N 1 0 351.491 2.188 20 30 FEEDRO C#CCN(C(=O)[C@@H](C)[C@H](C)NC(=O)OC(C)(C)C)C1CC[NH+](C)CC1 ZINC000886577374 688279045 /nfs/dbraw/zinc/27/90/45/688279045.db2.gz GHORZLAUTREITB-GJZGRUSLSA-N 1 0 351.491 2.092 20 30 FEEDRO C#CCN(C(=O)[C@@H](C)[C@@H](C)NC(=O)OC(C)(C)C)C1CC[NH+](C)CC1 ZINC000886577376 688279076 /nfs/dbraw/zinc/27/90/76/688279076.db2.gz GHORZLAUTREITB-LSDHHAIUSA-N 1 0 351.491 2.092 20 30 FEEDRO C=CCNc1nc(-c2cn(CCC[NH+]3CCSCC3)nn2)cs1 ZINC000887350058 688412144 /nfs/dbraw/zinc/41/21/44/688412144.db2.gz SFPZDDGWRQJXDY-UHFFFAOYSA-N 1 0 350.517 2.438 20 30 FEEDRO N#Cc1sc(NC(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)nc1Cl ZINC000888421073 688609438 /nfs/dbraw/zinc/60/94/38/688609438.db2.gz XGWHJJBMZJJZRG-LLVKDONJSA-N 1 0 369.878 2.244 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)NCCCCC2(C(=O)OC)CCC2)CC1 ZINC000892858901 689255082 /nfs/dbraw/zinc/25/50/82/689255082.db2.gz YOUGVROYBZGPNP-UHFFFAOYSA-N 1 0 351.491 2.450 20 30 FEEDRO Cc1c2cc(C#N)ccc2sc1C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC000896540832 689888758 /nfs/dbraw/zinc/88/87/58/689888758.db2.gz YUNJPHPNQNWHHI-BBRMVZONSA-N 1 0 356.495 2.446 20 30 FEEDRO N#Cc1ccc(Br)c(C[NH2+][C@@H]2CCN(c3cc(=O)[nH]cn3)C2)c1 ZINC000898149850 690134456 /nfs/dbraw/zinc/13/44/56/690134456.db2.gz HUGAGQJUWHNLFM-CYBMUJFWSA-N 1 0 374.242 2.185 20 30 FEEDRO N#Cc1ccc(Br)c(C[NH2+][C@H]2CCN(c3cc(=O)[nH]cn3)C2)c1 ZINC000898149851 690134504 /nfs/dbraw/zinc/13/45/04/690134504.db2.gz HUGAGQJUWHNLFM-ZDUSSCGKSA-N 1 0 374.242 2.185 20 30 FEEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1CCN(c2cn[nH]c(=O)c2Cl)C1 ZINC000898369303 690168634 /nfs/dbraw/zinc/16/86/34/690168634.db2.gz VETFYZOUVDYKKT-CHWSQXEVSA-N 1 0 365.865 2.103 20 30 FEEDRO C#CCOc1ccc(C[NH+]2CCC(CN=[S@](C)(=O)N(C)C)CC2)cc1 ZINC000898398150 690174953 /nfs/dbraw/zinc/17/49/53/690174953.db2.gz CMECCCYYNSKXMP-VWLOTQADSA-N 1 0 363.527 2.485 20 30 FEEDRO CC[N@@H+]1CCC[C@@H]1CNC(=S)N1CCO[C@@H](c2ccc(C#N)cc2)C1 ZINC000899634920 690394155 /nfs/dbraw/zinc/39/41/55/690394155.db2.gz CHYUERGXCCLEOO-QZTJIDSGSA-N 1 0 358.511 2.290 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)[C@H](O)c1ccccc1C(F)(F)F ZINC000900377785 690509049 /nfs/dbraw/zinc/50/90/49/690509049.db2.gz FJSORIDUVZSQBB-OAHLLOKOSA-N 1 0 357.376 2.433 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)N1CCN([C@H](CO)c2ccc(Cl)cc2)CC1 ZINC000901227469 690627772 /nfs/dbraw/zinc/62/77/72/690627772.db2.gz ZPKYQEKVCFBKOW-GOSISDBHSA-N 1 0 365.905 2.026 20 30 FEEDRO C=CCC[C@H]([NH2+]C1CCN(CCS(C)(=O)=O)CC1)[C@]1(C)CCCCO1 ZINC000902795768 690808495 /nfs/dbraw/zinc/80/84/95/690808495.db2.gz GPOWTRVRGDOCJP-OALUTQOASA-N 1 0 372.575 2.379 20 30 FEEDRO C[C@H]([NH2+]Cc1ccc(N2CCCS2(=O)=O)cc1)c1cc(C#N)ccn1 ZINC000902953748 690823435 /nfs/dbraw/zinc/82/34/35/690823435.db2.gz JIQXPPPSTYEORL-AWEZNQCLSA-N 1 0 356.451 2.344 20 30 FEEDRO C=CCC[C@H]([NH2+]C[C@@]1(OC)CCS(=O)(=O)C1)[C@@H]1Cc2ccccc2O1 ZINC000903364486 690886294 /nfs/dbraw/zinc/88/62/94/690886294.db2.gz XLAZMXVXBTUYNP-WDSOQIARSA-N 1 0 365.495 2.118 20 30 FEEDRO C[C@@H]1CCN(S(=O)(=O)c2ccc(Br)c(C#N)c2)[C@H](C[NH3+])C1 ZINC000903509767 690905103 /nfs/dbraw/zinc/90/51/03/690905103.db2.gz ASKGUPVJFXEXGR-PWSUYJOCSA-N 1 0 372.288 2.069 20 30 FEEDRO Cc1cc(C#N)cc(C)c1CS(=O)(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000903517453 690907990 /nfs/dbraw/zinc/90/79/90/690907990.db2.gz CCVLNFDKTRWVQB-SFHVURJKSA-N 1 0 361.511 2.326 20 30 FEEDRO N#CCCc1ccc(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@H]([NH3+])C2)cc1 ZINC000903581693 690929757 /nfs/dbraw/zinc/92/97/57/690929757.db2.gz SQHGIVALLNAKTA-UONOGXRCSA-N 1 0 361.389 2.043 20 30 FEEDRO N#Cc1cccc(CS(=O)(=O)N2C[C@H](C[NH3+])Cc3cc(F)ccc32)c1 ZINC000903589550 690933547 /nfs/dbraw/zinc/93/35/47/690933547.db2.gz XCUJPVWCEVZOFR-HNNXBMFYSA-N 1 0 359.426 2.165 20 30 FEEDRO CC1(C)C[NH2+][C@@H]1C1CCN(S(=O)(=O)Cc2ccc(CC#N)cc2)CC1 ZINC000905355294 691107363 /nfs/dbraw/zinc/10/73/63/691107363.db2.gz BEWKHSPWIJCWIK-GOSISDBHSA-N 1 0 361.511 2.292 20 30 FEEDRO Cn1ncc(C(F)(F)F)c1C[NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F ZINC000905390059 691112561 /nfs/dbraw/zinc/11/25/61/691112561.db2.gz ODAMQPOTCLPURQ-MRVPVSSYSA-N 1 0 355.229 2.477 20 30 FEEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@H]1C[NH2+]CC1(C)C ZINC000906709732 691304906 /nfs/dbraw/zinc/30/49/06/691304906.db2.gz VOSSLLGSWKYWKO-WFASDCNBSA-N 1 0 360.483 2.134 20 30 FEEDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(S(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000906951255 691352484 /nfs/dbraw/zinc/35/24/84/691352484.db2.gz ROINTWIILYBZEK-WBVHZDCISA-N 1 0 362.499 2.228 20 30 FEEDRO CN(CC[N@H+](C)C1CC1)S(=O)(=O)c1ccc(Br)c(C#N)c1 ZINC000907132283 691403609 /nfs/dbraw/zinc/40/36/09/691403609.db2.gz YQTAEJOVJQFLJD-UHFFFAOYSA-N 1 0 372.288 2.035 20 30 FEEDRO C[C@@H]1C[N@H+](CCCNC(=O)C(F)(F)c2ccccc2C#N)CCCO1 ZINC000907757846 691554379 /nfs/dbraw/zinc/55/43/79/691554379.db2.gz XWZRKJJMCULAGG-CQSZACIVSA-N 1 0 351.397 2.267 20 30 FEEDRO C[N@@H+]1CCC[C@@](O)(CC(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)C1 ZINC000908005731 691596621 /nfs/dbraw/zinc/59/66/21/691596621.db2.gz IWYIBRHDJBJEJE-OAHLLOKOSA-N 1 0 357.332 2.242 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)N1CCC2(CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000908328274 691660598 /nfs/dbraw/zinc/66/05/98/691660598.db2.gz RXAKHOLAXHUULW-UHFFFAOYSA-N 1 0 351.491 2.354 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)Nc1ccc(I)c(C)n1 ZINC000908330557 691660956 /nfs/dbraw/zinc/66/09/56/691660956.db2.gz SBQFQMYVCSUSSY-UHFFFAOYSA-N 1 0 359.211 2.441 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)N1CC[C@@H]2[C@@H](CCN2C(=O)OC(C)(C)C)C1 ZINC000908354105 691664785 /nfs/dbraw/zinc/66/47/85/691664785.db2.gz KIVIFOPSFZFMDZ-JKSUJKDBSA-N 1 0 351.491 2.352 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)N(C)C[C@H](O)c1ccccc1Br ZINC000909412462 691819365 /nfs/dbraw/zinc/81/93/65/691819365.db2.gz UQYDSSLNCFIHGZ-HNNXBMFYSA-N 1 0 355.276 2.449 20 30 FEEDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncc(C)cc1C=NO)C2 ZINC001164818802 720150763 /nfs/dbraw/zinc/15/07/63/720150763.db2.gz UTNFGDJQVOMPGJ-ICSRJNTNSA-N 1 0 358.486 2.383 20 30 FEEDRO Cc1cnc(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c(C#N)c1 ZINC001164821391 720296931 /nfs/dbraw/zinc/29/69/31/720296931.db2.gz KNGMBVCCLAAJCD-MOPGFXCFSA-N 1 0 367.497 2.173 20 30 FEEDRO Cc1nc(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)ccc1C#N ZINC001164828909 720327883 /nfs/dbraw/zinc/32/78/83/720327883.db2.gz KNLVMYQAHCIMQP-MOPGFXCFSA-N 1 0 367.497 2.173 20 30 FEEDRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2cc(CC#N)ccn2)CC1 ZINC001164831380 720329416 /nfs/dbraw/zinc/32/94/16/720329416.db2.gz RRBDHNXAZMTHHT-OALUTQOASA-N 1 0 367.497 2.059 20 30 FEEDRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2ncc(C#N)cc2F)CC1 ZINC001164827722 720329809 /nfs/dbraw/zinc/32/98/09/720329809.db2.gz HYHAOUXHTGNYBO-ROUUACIJSA-N 1 0 371.460 2.004 20 30 FEEDRO N#Cc1cnc(Cl)cc1N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001164732705 720552160 /nfs/dbraw/zinc/55/21/60/720552160.db2.gz FCVGHALVILHIOL-UHFFFAOYSA-N 1 0 356.861 2.462 20 30 FEEDRO N#Cc1cc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)nc2ccccc12 ZINC001164746441 720760103 /nfs/dbraw/zinc/76/01/03/720760103.db2.gz YECNTQCOEOQBAD-DLBZAZTESA-N 1 0 372.432 2.238 20 30 FEEDRO COCC[N@@H+]1CCO[C@H]2CN(c3nc(C(C)C)ccc3C#N)CC[C@@H]2C1 ZINC001164855077 720837493 /nfs/dbraw/zinc/83/74/93/720837493.db2.gz SRUXYDDBGZPOIQ-MJGOQNOKSA-N 1 0 358.486 2.250 20 30 FEEDRO Cc1ccnc(N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)c1C#N ZINC001164884963 721388074 /nfs/dbraw/zinc/38/80/74/721388074.db2.gz BEQTWEOWAPSUSM-RXVVDRJESA-N 1 0 369.513 2.027 20 30 FEEDRO Cc1ncc(C#N)c(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164911913 721526007 /nfs/dbraw/zinc/52/60/07/721526007.db2.gz XLWPCMKRCQUQPU-FUHWJXTLSA-N 1 0 353.401 2.138 20 30 FEEDRO Cc1nc(C#N)cnc1N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164912095 721548707 /nfs/dbraw/zinc/54/87/07/721548707.db2.gz YRRJPMHAWFGNQU-AEFFLSMTSA-N 1 0 353.401 2.138 20 30 FEEDRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2cncc(C#N)n2)CC1 ZINC001165019229 721839051 /nfs/dbraw/zinc/83/90/51/721839051.db2.gz AIZKYHYVOBSXMJ-UHFFFAOYSA-N 1 0 367.453 2.466 20 30 FEEDRO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2c1nc(-c2ccncc2)ccc1C#N ZINC001164929180 721877158 /nfs/dbraw/zinc/87/71/58/721877158.db2.gz AHWQXKWMMDPICI-UXHICEINSA-N 1 0 362.481 2.230 20 30 FEEDRO C[NH+](C)CCOCc1ncn2c1CN(c1cc(C#N)cc(Cl)n1)CCC2 ZINC001165000739 722250244 /nfs/dbraw/zinc/25/02/44/722250244.db2.gz KGSUGFBCLGUWHO-UHFFFAOYSA-N 1 0 374.876 2.292 20 30 FEEDRO CC[NH+]1CCN(c2ccc(C(=O)Nc3cc(C)n(CCC#N)n3)cc2)CC1 ZINC000504254449 815149721 /nfs/dbraw/zinc/14/97/21/815149721.db2.gz SXBUKQZSKBSAMH-UHFFFAOYSA-N 1 0 366.469 2.499 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)Nc1ccc2n[nH]cc2c1)C(C)C ZINC000076240487 542249561 /nfs/dbraw/zinc/24/95/61/542249561.db2.gz NETLTIFKWDEBSA-SFHVURJKSA-N 1 0 369.469 2.316 20 30 FEEDRO COc1cccc([C@@H](CNC(=O)COc2ccc(C#N)cc2)[NH+](C)C)c1 ZINC000018016988 539644648 /nfs/dbraw/zinc/64/46/48/539644648.db2.gz DTMAUXWZQDTNOB-LJQANCHMSA-N 1 0 353.422 2.365 20 30 FEEDRO C[C@@H](C(=O)NCC(F)(F)F)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000022850351 539700889 /nfs/dbraw/zinc/70/08/89/539700889.db2.gz YODMBOQIUCWWJE-AWEZNQCLSA-N 1 0 368.403 2.133 20 30 FEEDRO C[C@@H](CNC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000041653143 540029708 /nfs/dbraw/zinc/02/97/08/540029708.db2.gz OCMWGFHIVTVYNC-OLZOCXBDSA-N 1 0 362.861 2.387 20 30 FEEDRO C[C@H]1CCC[N@H+](CCCCNC(=O)C(=O)Nc2cccc(OCC#N)c2)C1 ZINC000041789197 540033232 /nfs/dbraw/zinc/03/32/32/540033232.db2.gz FPFAVLQLVBJQKP-INIZCTEOSA-N 1 0 372.469 2.156 20 30 FEEDRO C=CCn1c(SCC(=O)NC2CC[NH+](C3CC3)CC2)nnc1C1CC1 ZINC000043851448 540112425 /nfs/dbraw/zinc/11/24/25/540112425.db2.gz WIYIYPRGUYSXOD-UHFFFAOYSA-N 1 0 361.515 2.177 20 30 FEEDRO Cc1cc(NC(=O)CC[N@@H+]2CCCN(c3ccccc3C#N)CC2)no1 ZINC000046086534 540241551 /nfs/dbraw/zinc/24/15/51/540241551.db2.gz XTDLVYWRYRTTOK-UHFFFAOYSA-N 1 0 353.426 2.396 20 30 FEEDRO C[C@H]1CCC[N@H+](CCNC(=O)N2CCN(c3cccc(F)c3C#N)CC2)C1 ZINC000046380718 540254880 /nfs/dbraw/zinc/25/48/80/540254880.db2.gz XQJMPSMPIYCXJS-INIZCTEOSA-N 1 0 373.476 2.261 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)CCCNC(=O)C(C)(C)C ZINC000047010213 540284701 /nfs/dbraw/zinc/28/47/01/540284701.db2.gz IXEXEBXMONQXPM-UHFFFAOYSA-N 1 0 372.513 2.391 20 30 FEEDRO N#CCCN(C(=O)C[N@@H+]1CCC[C@@H](C(=O)NCC2CC2)C1)c1ccccc1 ZINC000047981394 540338347 /nfs/dbraw/zinc/33/83/47/540338347.db2.gz CTTIGZUUJUIPQY-GOSISDBHSA-N 1 0 368.481 2.171 20 30 FEEDRO N#Cc1cccc(NC(=O)C(=O)NCc2ccccc2C[NH+]2CCCC2)c1 ZINC000049392248 540389196 /nfs/dbraw/zinc/38/91/96/540389196.db2.gz NIKCGVOLCLAKCC-UHFFFAOYSA-N 1 0 362.433 2.409 20 30 FEEDRO COc1ccc(C#N)cc1NC(=O)C(=O)NCCCCCCC[NH+](C)C ZINC000050175589 540402750 /nfs/dbraw/zinc/40/27/50/540402750.db2.gz DIGFSCUIUKIYBE-UHFFFAOYSA-N 1 0 360.458 2.134 20 30 FEEDRO C=C(C)C[N@@H+](CC)CC(=O)N1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000051559931 540437461 /nfs/dbraw/zinc/43/74/61/540437461.db2.gz AIQZBSMSTRGZOK-UHFFFAOYSA-N 1 0 359.518 2.455 20 30 FEEDRO C[C@@H]1CN(C(=O)C2CC[NH+](CCOc3ccc(C#N)cc3)CC2)C[C@@H](C)O1 ZINC000051764632 540443709 /nfs/dbraw/zinc/44/37/09/540443709.db2.gz PVDCTMXAOXOCOK-IAGOWNOFSA-N 1 0 371.481 2.285 20 30 FEEDRO N#Cc1ccc(C[N@H+]2CCCN(CC(=O)NCc3cccs3)CC2)cc1 ZINC000054642633 540599710 /nfs/dbraw/zinc/59/97/10/540599710.db2.gz WQZUSZRMVLQHHZ-UHFFFAOYSA-N 1 0 368.506 2.444 20 30 FEEDRO CCOc1ccc(C#N)cc1NC(=O)NCCCC[NH+]1CCN(CC)CC1 ZINC000056642746 540737560 /nfs/dbraw/zinc/73/75/60/540737560.db2.gz HFVFTDAZAFOJPR-UHFFFAOYSA-N 1 0 373.501 2.496 20 30 FEEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)NC[C@@H]3CCCOC3)CC2)cc1 ZINC000057161963 540774226 /nfs/dbraw/zinc/77/42/26/540774226.db2.gz RVLKEVQCQBPUGB-IBGZPJMESA-N 1 0 356.470 2.202 20 30 FEEDRO C[C@@H](CNC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)[N@H+](C)C1CC1 ZINC000076301077 542258254 /nfs/dbraw/zinc/25/82/54/542258254.db2.gz WLOXXJOFBOJKSC-JTQLQIEISA-N 1 0 368.359 2.114 20 30 FEEDRO C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000061648733 541137100 /nfs/dbraw/zinc/13/71/00/541137100.db2.gz MJWYPLWQFIGZTM-KRWDZBQOSA-N 1 0 371.481 2.286 20 30 FEEDRO CC(C)[NH+]1CCN(C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CC1 ZINC000541924438 541299357 /nfs/dbraw/zinc/29/93/57/541299357.db2.gz NVNJWFKGYPXTMT-UHFFFAOYSA-N 1 0 356.405 2.441 20 30 FEEDRO C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000066561892 541335926 /nfs/dbraw/zinc/33/59/26/541335926.db2.gz VIOKMERERRAKSV-CVEARBPZSA-N 1 0 356.470 2.070 20 30 FEEDRO N#CCCN(C(=O)CCC(=O)N[C@H]1CC[N@@H+](C2CC2)C1)c1ccccc1 ZINC000066622053 541348653 /nfs/dbraw/zinc/34/86/53/541348653.db2.gz NAFVEJQUMUYROX-INIZCTEOSA-N 1 0 354.454 2.066 20 30 FEEDRO CC[N@H+](CC(=O)NCC(C)(C)N1CCOCC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000066962075 541401670 /nfs/dbraw/zinc/40/16/70/541401670.db2.gz OUFLYJMYHJMVET-KRWDZBQOSA-N 1 0 372.513 2.168 20 30 FEEDRO N#Cc1cccnc1N1CCC[N@@H+](C[C@@H](O)COc2ccccc2F)CC1 ZINC000067460038 541466694 /nfs/dbraw/zinc/46/66/94/541466694.db2.gz KXMAWXIRIASGLJ-QGZVFWFLSA-N 1 0 370.428 2.044 20 30 FEEDRO C[C@@H]1C[C@@H](NC(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CC[N@@H+]1C ZINC000542838648 541484556 /nfs/dbraw/zinc/48/45/56/541484556.db2.gz MWMDCBAFBLDSGZ-OLZOCXBDSA-N 1 0 356.405 2.487 20 30 FEEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(S(=O)(=O)N(CC)CC)cc1 ZINC000070753102 541740597 /nfs/dbraw/zinc/74/05/97/541740597.db2.gz ROPQYJHBWMOODN-LSDHHAIUSA-N 1 0 367.515 2.058 20 30 FEEDRO CC(C)[NH+]1CCC(C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)CC1 ZINC000072813333 541870938 /nfs/dbraw/zinc/87/09/38/541870938.db2.gz IHSHRGVOWOHZJJ-UHFFFAOYSA-N 1 0 354.498 2.323 20 30 FEEDRO C[N@H+](CC(=O)N(CCC#N)CCC#N)C1CCN(c2cccc(F)c2)CC1 ZINC000072826212 541873973 /nfs/dbraw/zinc/87/39/73/541873973.db2.gz UTHQPNPYVOSZCK-UHFFFAOYSA-N 1 0 371.460 2.382 20 30 FEEDRO C[NH+]=C(NCc1nnc2n1CCC2)N1CCC(Cc2ccccc2)CC1 ZINC000073042194 541911661 /nfs/dbraw/zinc/91/16/61/541911661.db2.gz KGPSUBHSLIBSPB-UHFFFAOYSA-N 1 0 352.486 2.254 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)NCCc2nc(-c3ccc(F)cc3)c[nH]2)CC1 ZINC000074024973 542027534 /nfs/dbraw/zinc/02/75/34/542027534.db2.gz AVSWHGKOIPDEQI-UHFFFAOYSA-N 1 0 354.429 2.220 20 30 FEEDRO CC[NH+](CC)CCOC1CCN([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC1 ZINC000075007499 542144979 /nfs/dbraw/zinc/14/49/79/542144979.db2.gz RKHSJNBHOVLMLI-XLIONFOSSA-N 1 0 366.550 2.252 20 30 FEEDRO CC[C@@H](C)[NH2+][C@H](CNC(=O)C(=O)Nc1sccc1C#N)c1ccco1 ZINC000551258067 674134258 /nfs/dbraw/zinc/13/42/58/674134258.db2.gz BSMWNEDZECRPDQ-DGCLKSJQSA-N 1 0 360.439 2.397 20 30 FEEDRO C=CCSCCNC(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000075976011 542221251 /nfs/dbraw/zinc/22/12/51/542221251.db2.gz IFRWLCCADLZNEQ-SFHVURJKSA-N 1 0 362.543 2.194 20 30 FEEDRO COCC[N@H+](C)CCNC(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC000076460952 542281404 /nfs/dbraw/zinc/28/14/04/542281404.db2.gz NAAQABJHVNNBOU-UHFFFAOYSA-N 1 0 357.410 2.038 20 30 FEEDRO CC(=O)NCC1CC[NH+]([C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)CC1 ZINC000076997410 542340363 /nfs/dbraw/zinc/34/03/63/542340363.db2.gz IZQVWKAXOWLQLO-NGEICVOHSA-N 1 0 362.518 2.154 20 30 FEEDRO C[NH+]1CCC(C#N)(NC(=O)Cc2csc(Cc3ccccc3)n2)CC1 ZINC000077039874 542342933 /nfs/dbraw/zinc/34/29/33/542342933.db2.gz MCCQFSKSJFCJNO-UHFFFAOYSA-N 1 0 354.479 2.381 20 30 FEEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000077202539 542353317 /nfs/dbraw/zinc/35/33/17/542353317.db2.gz XZCFKEVKSCCYJZ-MRXNPFEDSA-N 1 0 373.501 2.350 20 30 FEEDRO COc1cc(C#N)ccc1OCC[N@@H+]1CCC[C@@H](CNC(=O)C(C)C)C1 ZINC000077276592 542360624 /nfs/dbraw/zinc/36/06/24/542360624.db2.gz YCJMASCOADNBQV-KRWDZBQOSA-N 1 0 359.470 2.430 20 30 FEEDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(=O)Nc2ccc(F)c(C#N)c2)C1 ZINC000077538879 542394133 /nfs/dbraw/zinc/39/41/33/542394133.db2.gz BXBSUJXWWZEGLT-OKILXGFUSA-N 1 0 360.433 2.120 20 30 FEEDRO Cc1nccn1CCCNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000080053116 542560281 /nfs/dbraw/zinc/56/02/81/542560281.db2.gz FVXYZGXEWHFXIS-UHFFFAOYSA-N 1 0 368.485 2.227 20 30 FEEDRO N#Cc1ccc(N2CCN(C(=O)[C@@H]3C[C@@H]4CCCC[N@@H+]4C3)CC2)c(F)c1 ZINC000080621868 542598249 /nfs/dbraw/zinc/59/82/49/542598249.db2.gz UKCXJGMYWXOETL-SJORKVTESA-N 1 0 356.445 2.220 20 30 FEEDRO COCCC[N@@H+]1CCCN(CC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000081085779 542629928 /nfs/dbraw/zinc/62/99/28/542629928.db2.gz IQMPJMBOQOJESB-UHFFFAOYSA-N 1 0 364.877 2.194 20 30 FEEDRO C=CCN1C(=O)c2ccc(C(=O)N3CC[C@H](C[NH+](CC)CC)C3)cc2C1=O ZINC000081329934 542649059 /nfs/dbraw/zinc/64/90/59/542649059.db2.gz PEEUHWXKZVDSAY-OAHLLOKOSA-N 1 0 369.465 2.273 20 30 FEEDRO C[N@H+](CCC(=O)Nc1cccc(C#N)c1)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000084089953 542706906 /nfs/dbraw/zinc/70/69/06/542706906.db2.gz NMWDHUWOTSOMAX-IRXDYDNUSA-N 1 0 363.483 2.174 20 30 FEEDRO COCCn1ncc2ccc(NC(=O)N(CCC#N)CCC[NH+](C)C)cc21 ZINC000086284658 542735642 /nfs/dbraw/zinc/73/56/42/542735642.db2.gz SCLJARBUZIHUTP-UHFFFAOYSA-N 1 0 372.473 2.382 20 30 FEEDRO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N(C)CC[NH+]1CCCC1 ZINC000089899249 542772226 /nfs/dbraw/zinc/77/22/26/542772226.db2.gz UDOTXRSSBHUVJX-QGZVFWFLSA-N 1 0 358.486 2.358 20 30 FEEDRO C[C@@H](O)[C@@H]1CCC[N@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC000089928218 542775052 /nfs/dbraw/zinc/77/50/52/542775052.db2.gz WVPFVHRXBPUAFP-GDBMZVCRSA-N 1 0 368.399 2.266 20 30 FEEDRO C=CCCC[C@@H](C)[NH+]1CCN(c2ccccc2S(=O)(=O)NC)CC1 ZINC000091554875 542812535 /nfs/dbraw/zinc/81/25/35/542812535.db2.gz KQFCDXPTLCHJIV-MRXNPFEDSA-N 1 0 351.516 2.462 20 30 FEEDRO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CC[C@H](Cc3ccccc3)C2)CC1 ZINC000091581406 542813133 /nfs/dbraw/zinc/81/31/33/542813133.db2.gz ISJMWIRWMQGQQA-NHCUHLMSSA-N 1 0 368.525 2.243 20 30 FEEDRO Cc1cccnc1[C@@H]([NH2+]CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1)C(C)C ZINC000092643054 542876795 /nfs/dbraw/zinc/87/67/95/542876795.db2.gz GLEUGNYDQKPFCH-ICSRJNTNSA-N 1 0 371.529 2.369 20 30 FEEDRO C#CCOc1ccc(C[NH+]2CCC(CNC(=O)c3cnn(C)c3)CC2)cc1 ZINC000092759545 542885537 /nfs/dbraw/zinc/88/55/37/542885537.db2.gz VCHQFSSSLDGTSO-UHFFFAOYSA-N 1 0 366.465 2.074 20 30 FEEDRO COc1ccc(NC(=[NH2+])NC[C@@H]2CCCN(c3ncccn3)C2)cc1OC ZINC000093887791 542944015 /nfs/dbraw/zinc/94/40/15/542944015.db2.gz RCDSUKRODHMEKG-AWEZNQCLSA-N 1 0 370.457 2.137 20 30 FEEDRO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccc(F)c(C#N)c1)C1CCCCC1 ZINC000102962825 543086936 /nfs/dbraw/zinc/08/69/36/543086936.db2.gz VCRQEUVJJHZDNA-QGZVFWFLSA-N 1 0 360.433 2.263 20 30 FEEDRO C[NH+](C)CCCOc1ccc(CNS(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000103162889 543095665 /nfs/dbraw/zinc/09/56/65/543095665.db2.gz KFBLLZNERICXIP-UHFFFAOYSA-N 1 0 373.478 2.367 20 30 FEEDRO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000103284918 543101557 /nfs/dbraw/zinc/10/15/57/543101557.db2.gz WPZRKSCFPJAPSC-ZIAGYGMSSA-N 1 0 362.861 2.172 20 30 FEEDRO CC[NH+]1CCN(c2ccccc2NS(=O)(=O)CCCCC#N)CC1 ZINC000104109569 543123454 /nfs/dbraw/zinc/12/34/54/543123454.db2.gz MFNFAXUNIYNDTO-UHFFFAOYSA-N 1 0 350.488 2.264 20 30 FEEDRO COc1ccc([C@H](CNS(=O)(=O)CCCC#N)[NH+]2CCCC2)cc1 ZINC000104106626 543123698 /nfs/dbraw/zinc/12/36/98/543123698.db2.gz QPJDMROAWVKCQC-KRWDZBQOSA-N 1 0 351.472 2.055 20 30 FEEDRO CCOc1ccc(Oc2cc(CNC(=[NH2+])N3CCOCC3)ccn2)cc1 ZINC000104164755 543125310 /nfs/dbraw/zinc/12/53/10/543125310.db2.gz RHZABGUGAKFPHW-UHFFFAOYSA-N 1 0 356.426 2.420 20 30 FEEDRO COc1ccc(CCNC(=[NH2+])NC[C@@H](O)c2ccc(F)cc2)cc1OC ZINC000104168780 543125323 /nfs/dbraw/zinc/12/53/23/543125323.db2.gz ZUNIFPYNDSUMAX-MRXNPFEDSA-N 1 0 361.417 2.023 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)CC1 ZINC000106035042 543186452 /nfs/dbraw/zinc/18/64/52/543186452.db2.gz XJZPJEITSCUWKZ-UHFFFAOYSA-N 1 0 364.453 2.096 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C2=NN(c3ccccc3)C(=O)CC2)CC1 ZINC000106039297 543186973 /nfs/dbraw/zinc/18/69/73/543186973.db2.gz VXYLOGCNNXCDDM-UHFFFAOYSA-N 1 0 354.454 2.326 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(OCC(=O)NCC)cc2)CC1 ZINC000106319429 543223002 /nfs/dbraw/zinc/22/30/02/543223002.db2.gz FWBRBPDCXOOJJO-UHFFFAOYSA-N 1 0 374.485 2.364 20 30 FEEDRO C#CCOc1cccc(NC(=O)C(=O)NC[C@@H](c2cccs2)[NH+](C)C)c1 ZINC000108604402 543297120 /nfs/dbraw/zinc/29/71/20/543297120.db2.gz DEPHFTIXEWGGOC-INIZCTEOSA-N 1 0 371.462 2.118 20 30 FEEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)NC1CC[NH+](C)CC1 ZINC000108604459 543297142 /nfs/dbraw/zinc/29/71/42/543297142.db2.gz CICOVJNSXGFNQS-CYBMUJFWSA-N 1 0 360.483 2.087 20 30 FEEDRO C#CC[NH+]1CCC(c2nc(-c3cccc(CN4CCOCC4)c3)no2)CC1 ZINC000109581565 543328040 /nfs/dbraw/zinc/32/80/40/543328040.db2.gz OEGQTPJCDUDKCM-UHFFFAOYSA-N 1 0 366.465 2.381 20 30 FEEDRO C[C@H](CNC(=O)C(=O)Nc1ccc(C#N)cc1)[N@H+](C)Cc1ccccc1 ZINC000111911412 543424926 /nfs/dbraw/zinc/42/49/26/543424926.db2.gz KEZVYLJXSSFYEL-OAHLLOKOSA-N 1 0 350.422 2.133 20 30 FEEDRO C=CCOc1ccccc1CNC(=O)N1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000111886273 543423564 /nfs/dbraw/zinc/42/35/64/543423564.db2.gz WORWKGDYRFGBDF-IBGZPJMESA-N 1 0 372.513 2.173 20 30 FEEDRO C=CCCO[C@H](C)C(=O)Nc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000112256111 543436333 /nfs/dbraw/zinc/43/63/33/543436333.db2.gz JYELHBQEGMAHET-MRXNPFEDSA-N 1 0 359.470 2.432 20 30 FEEDRO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N1CCC([NH+](C)C)CC1 ZINC000114801898 543536873 /nfs/dbraw/zinc/53/68/73/543536873.db2.gz RUZKUJZWSJIGOY-MRXNPFEDSA-N 1 0 358.486 2.356 20 30 FEEDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)COc2ccc(C#N)cc2)[C@H](C)C1 ZINC000115273279 543557702 /nfs/dbraw/zinc/55/77/02/543557702.db2.gz QJKXXGJCCUDWOT-APWZRJJASA-N 1 0 359.470 2.190 20 30 FEEDRO C[NH+](C)CC[C@@H](NC(=O)c1ccc(-n2ncc(C#N)c2N)cc1)C(C)(C)C ZINC000116231263 543605685 /nfs/dbraw/zinc/60/56/85/543605685.db2.gz YOAVBHUAJRUBMT-QGZVFWFLSA-N 1 0 368.485 2.422 20 30 FEEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000118104038 543645757 /nfs/dbraw/zinc/64/57/57/543645757.db2.gz CLUBPKPKCIDEQR-UONOGXRCSA-N 1 0 360.483 2.230 20 30 FEEDRO C#CCCCCNC(=O)NCc1cccc(OCCN2CCOCC2)c1 ZINC000120763223 543684171 /nfs/dbraw/zinc/68/41/71/543684171.db2.gz QCZFXSNGACISAF-UHFFFAOYSA-N 1 0 359.470 2.000 20 30 FEEDRO C[N@H+](CC#Cc1ccc(C(F)(F)F)cc1)C1CCN(S(C)(=O)=O)CC1 ZINC000121285873 543691283 /nfs/dbraw/zinc/69/12/83/543691283.db2.gz DTYGQARELRMYQC-UHFFFAOYSA-N 1 0 374.428 2.413 20 30 FEEDRO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCC[C@H](Cn2ccnn2)C1 ZINC000119881018 543673450 /nfs/dbraw/zinc/67/34/50/543673450.db2.gz GCXQEECJPWTLAR-ROUUACIJSA-N 1 0 366.469 2.325 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)Cc2cccc(S(=O)(=O)CC)c2)CC1 ZINC000123487135 543765211 /nfs/dbraw/zinc/76/52/11/543765211.db2.gz OATPQJGOQWJQMB-UHFFFAOYSA-N 1 0 364.511 2.179 20 30 FEEDRO CCN(CCC#N)C(=O)C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000123994584 543795284 /nfs/dbraw/zinc/79/52/84/543795284.db2.gz KLYALGNYYWSTST-UHFFFAOYSA-N 1 0 372.469 2.252 20 30 FEEDRO C=CCNC(=O)NC(=O)[C@@H](C)Nc1cccc(N2CC[NH+](C(C)C)CC2)c1 ZINC000125037202 543857328 /nfs/dbraw/zinc/85/73/28/543857328.db2.gz DHFHAVJYQPPRNA-MRXNPFEDSA-N 1 0 373.501 2.029 20 30 FEEDRO C=CCOc1cc(OC)ccc1C(=O)NC[C@@H](C)N1CC[NH+](CC)CC1 ZINC000125092827 543859911 /nfs/dbraw/zinc/85/99/11/543859911.db2.gz PWLACAFPDAFBQO-MRXNPFEDSA-N 1 0 361.486 2.016 20 30 FEEDRO CC[NH+]=C(NC[C@H]1CCOc2ccccc21)N[C@@H]1CCc2nc(C)nn2C1 ZINC000125989627 543912467 /nfs/dbraw/zinc/91/24/67/543912467.db2.gz JBJMFBVTGVTISQ-HZPDHXFCSA-N 1 0 368.485 2.023 20 30 FEEDRO CC[NH+]=C(NC[C@@H]1CCOc2ccccc21)N[C@@H]1CCc2nc(C)nn2C1 ZINC000125989411 543912561 /nfs/dbraw/zinc/91/25/61/543912561.db2.gz JBJMFBVTGVTISQ-JKSUJKDBSA-N 1 0 368.485 2.023 20 30 FEEDRO Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CCCC(C)(C)CC3)CC2)o1 ZINC000127133387 543975048 /nfs/dbraw/zinc/97/50/48/543975048.db2.gz XKXWFHYCIKPIGL-UHFFFAOYSA-N 1 0 359.474 2.015 20 30 FEEDRO C[C@](C#N)(NC(=O)CN1CCC(C(=O)c2ccc(O)cc2)CC1)C1CC1 ZINC000127759561 544012050 /nfs/dbraw/zinc/01/20/50/544012050.db2.gz KQJPDSKUCWIGOV-HXUWFJFHSA-N 1 0 355.438 2.095 20 30 FEEDRO C=CCCOCCNC(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000127287034 543983519 /nfs/dbraw/zinc/98/35/19/543983519.db2.gz PQKNRCGSGULSDP-UHFFFAOYSA-N 1 0 361.486 2.035 20 30 FEEDRO CCOC(=O)N1CCC(NC(=[NH2+])NC[C@H]2[C@@H]3Cc4ccccc4[C@@H]32)CC1 ZINC000128846375 544076689 /nfs/dbraw/zinc/07/66/89/544076689.db2.gz OCPUDUKZZCIRHC-BZSNNMDCSA-N 1 0 356.470 2.098 20 30 FEEDRO Cc1cc(C#N)ccc1C(=O)Nc1ccc(OC[C@@H](O)C[NH+](C)C)cc1 ZINC000129264289 544101347 /nfs/dbraw/zinc/10/13/47/544101347.db2.gz BFTUILBIUHOIRY-KRWDZBQOSA-N 1 0 353.422 2.420 20 30 FEEDRO C=CCCS(=O)(=O)NCCCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000130513653 544153998 /nfs/dbraw/zinc/15/39/98/544153998.db2.gz HXEHNIOOMOKHDL-UHFFFAOYSA-N 1 0 365.543 2.393 20 30 FEEDRO CN(CCC#N)CC(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000133294632 544263749 /nfs/dbraw/zinc/26/37/49/544263749.db2.gz PRUVMBKQWVMCFC-UHFFFAOYSA-N 1 0 350.466 2.329 20 30 FEEDRO CCc1cnc(CNC2=[NH+]C[C@@H]3CN(C(=O)OC(C)(C)C)CCN23)s1 ZINC000133991463 544290892 /nfs/dbraw/zinc/29/08/92/544290892.db2.gz TVCIYBNDAXVVHY-GFCCVEGCSA-N 1 0 365.503 2.086 20 30 FEEDRO C[NH+](C)C[C@](C)(O)CNc1c(C#N)cnc2ccc(OC(F)F)cc21 ZINC000133032992 544253204 /nfs/dbraw/zinc/25/32/04/544253204.db2.gz DVNUMZIAYLSLFL-QGZVFWFLSA-N 1 0 350.369 2.432 20 30 FEEDRO C=C(C)COCCNC(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000135033780 544331694 /nfs/dbraw/zinc/33/16/94/544331694.db2.gz MBRDJFYZXUDRFK-UHFFFAOYSA-N 1 0 360.502 2.091 20 30 FEEDRO C=CCOc1cc(OC)ccc1C(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000134907605 544326966 /nfs/dbraw/zinc/32/69/66/544326966.db2.gz JAFGTVRUDKYOKO-MRXNPFEDSA-N 1 0 362.470 2.083 20 30 FEEDRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(Cc2ccccc2C(C)(C)C#N)CC1 ZINC000135293783 544340745 /nfs/dbraw/zinc/34/07/45/544340745.db2.gz JOYXLYDDUMAOLE-LJQANCHMSA-N 1 0 354.498 2.226 20 30 FEEDRO C[NH+](C)CCn1ccc(NC(=O)CCCC(=O)Nc2ccccc2C#N)n1 ZINC000151360428 544532005 /nfs/dbraw/zinc/53/20/05/544532005.db2.gz AANPDBJQKBYOHQ-UHFFFAOYSA-N 1 0 368.441 2.064 20 30 FEEDRO N#Cc1ccccc1NC(=O)CCCC(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000151603829 544561530 /nfs/dbraw/zinc/56/15/30/544561530.db2.gz UVFDFISGIGMJTP-QGZVFWFLSA-N 1 0 354.454 2.268 20 30 FEEDRO C[C@H](C(=O)N1c2ccccc2C[C@@H]1C)[N@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000153267561 544753964 /nfs/dbraw/zinc/75/39/64/544753964.db2.gz WNQRDVAWHWAXRU-UONOGXRCSA-N 1 0 366.469 2.094 20 30 FEEDRO C=CCOc1ccccc1CNC(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000154970366 544972277 /nfs/dbraw/zinc/97/22/77/544972277.db2.gz KBMPRBYKNYSMBB-UHFFFAOYSA-N 1 0 361.486 2.240 20 30 FEEDRO CC#CCC[NH+]1CCN(Cc2nc3sc4c(c3c(=O)[nH]2)CCCC4)CC1 ZINC000155015614 544978135 /nfs/dbraw/zinc/97/81/35/544978135.db2.gz AKAUFDKORYQHHY-UHFFFAOYSA-N 1 0 370.522 2.394 20 30 FEEDRO C[NH+](C)[C@H]1CCCN(S(=O)(=O)c2cc(Br)cc(C#N)c2)C1 ZINC000155208307 545001986 /nfs/dbraw/zinc/00/19/86/545001986.db2.gz OCHXMFOMOOWYRG-ZDUSSCGKSA-N 1 0 372.288 2.035 20 30 FEEDRO COCC[N@@H+]1CC[C@@H](Nc2c(C#N)cnc3c(F)c(F)c(F)cc32)C1 ZINC000553058861 674235789 /nfs/dbraw/zinc/23/57/89/674235789.db2.gz RSDWXOASQRCSDG-LLVKDONJSA-N 1 0 350.344 2.078 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCC[C@H](SCC)C2)CC1 ZINC000553329729 674253559 /nfs/dbraw/zinc/25/35/59/674253559.db2.gz OXKMZGLHFOLJHQ-IRXDYDNUSA-N 1 0 367.559 2.324 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)C(=O)NC1CC[NH+](CC(=C)C)CC1 ZINC000553712548 674281341 /nfs/dbraw/zinc/28/13/41/674281341.db2.gz ZNCOYKWXVAJZRE-UHFFFAOYSA-N 1 0 361.511 2.419 20 30 FEEDRO COc1cc(C#N)ccc1S(=O)(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000185491384 327919178 /nfs/dbraw/zinc/91/91/78/327919178.db2.gz AZCHKXWEZKNXHT-QGZVFWFLSA-N 1 0 373.478 2.018 20 30 FEEDRO Cc1cc(N2CC[NH+](CCC(=O)Nc3ccc(C#N)c(Cl)c3)CC2)n[nH]1 ZINC000187235814 328010275 /nfs/dbraw/zinc/01/02/75/328010275.db2.gz ALKORCYGSUABHC-UHFFFAOYSA-N 1 0 372.860 2.394 20 30 FEEDRO N#Cc1c(F)cccc1C(=O)NC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000187377025 328020843 /nfs/dbraw/zinc/02/08/43/328020843.db2.gz HPPUGFDSSAMICZ-HZPDHXFCSA-N 1 0 353.397 2.063 20 30 FEEDRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)c2cccc(F)c2C#N)CC1 ZINC000188875529 328115465 /nfs/dbraw/zinc/11/54/65/328115465.db2.gz XXJLQYLULYGXSL-HZPDHXFCSA-N 1 0 358.461 2.328 20 30 FEEDRO C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000190614882 328219631 /nfs/dbraw/zinc/21/96/31/328219631.db2.gz ZLPFPSMUSDRPBF-RHSMWYFYSA-N 1 0 357.454 2.369 20 30 FEEDRO N#Cc1ccc(Br)c(CN2CC[NH+](C[C@H]3CCOC3)CC2)c1 ZINC000191805456 328282917 /nfs/dbraw/zinc/28/29/17/328282917.db2.gz WYQGWQIKAUKVIQ-OAHLLOKOSA-N 1 0 364.287 2.475 20 30 FEEDRO CC(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)CC1 ZINC000192545011 328324934 /nfs/dbraw/zinc/32/49/34/328324934.db2.gz AREZQUPYACJFCU-UHFFFAOYSA-N 1 0 373.501 2.290 20 30 FEEDRO CN(Cc1cccc(C#N)c1)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000077670600 325004066 /nfs/dbraw/zinc/00/40/66/325004066.db2.gz YNJQHAAVXWTMCK-GOSISDBHSA-N 1 0 356.470 2.201 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2cccnc2OCC(C)C)c1C#N ZINC000089674842 325326086 /nfs/dbraw/zinc/32/60/86/325326086.db2.gz DPABFRLEOXZZDI-UHFFFAOYSA-N 1 0 356.430 2.115 20 30 FEEDRO CCOc1ncc(C(=O)Nc2n[nH]c(CCC[NH2+]C)c2C#N)cc1Cl ZINC000089674955 325326323 /nfs/dbraw/zinc/32/63/23/325326323.db2.gz PRJXCMZAONRQBD-UHFFFAOYSA-N 1 0 362.821 2.133 20 30 FEEDRO CC1CCC(N(C(=O)C[N@H+](C)CCCc2[nH]nc(N)c2C#N)C2CC2)CC1 ZINC000089943492 325343585 /nfs/dbraw/zinc/34/35/85/325343585.db2.gz ULBXEMPETOEOEP-UHFFFAOYSA-N 1 0 372.517 2.298 20 30 FEEDRO CN(CC(=O)OC(C)(C)C)[C@H]1C[N@H+](CCCCC(C)(C)C#N)C[C@H]1O ZINC000553896182 674293140 /nfs/dbraw/zinc/29/31/40/674293140.db2.gz SLLCCEBBJWAHPE-JKSUJKDBSA-N 1 0 353.507 2.025 20 30 FEEDRO CC1CC[NH+](C[C@H]2CCCN(C(=O)C(=O)Nc3ccc(C#N)cc3)C2)CC1 ZINC000119664253 326185870 /nfs/dbraw/zinc/18/58/70/326185870.db2.gz RSSHORVDSNEEJI-GOSISDBHSA-N 1 0 368.481 2.467 20 30 FEEDRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)C(=O)Nc3ccc(C#N)cc3)C2)CC1 ZINC000119664103 326186030 /nfs/dbraw/zinc/18/60/30/326186030.db2.gz RSSHORVDSNEEJI-SFHVURJKSA-N 1 0 368.481 2.467 20 30 FEEDRO C[C@@H](NC(=O)CNC(=O)c1ccc(C#N)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000119859836 326205925 /nfs/dbraw/zinc/20/59/25/326205925.db2.gz UWRKFXJNNWYSHC-QAPCUYQASA-N 1 0 368.481 2.057 20 30 FEEDRO CCC[C@H]1CCC[N@H+](CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C1 ZINC000121010251 326305979 /nfs/dbraw/zinc/30/59/79/326305979.db2.gz XCJRXKDDNDKYQP-INIZCTEOSA-N 1 0 359.474 2.015 20 30 FEEDRO N#Cc1ccc(C[NH2+]CCNS(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000127822549 326513154 /nfs/dbraw/zinc/51/31/54/326513154.db2.gz KTMATWMHVWVIME-UHFFFAOYSA-N 1 0 355.872 2.341 20 30 FEEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+][C@H]2CCCC[C@@H]2n2cccn2)c1 ZINC000127930461 326515033 /nfs/dbraw/zinc/51/50/33/326515033.db2.gz RGXRRJCCMHKELZ-ROUUACIJSA-N 1 0 358.467 2.302 20 30 FEEDRO N#Cc1ccc(N2C(=O)C[C@H](N3CC[NH+](C4CCCCC4)CC3)C2=O)cc1 ZINC000130447114 326556952 /nfs/dbraw/zinc/55/69/52/326556952.db2.gz CHXALFUPJRVGAR-IBGZPJMESA-N 1 0 366.465 2.140 20 30 FEEDRO COCC[NH+]1CCC(NC(=O)[C@@H](Oc2ccccc2C#N)C(C)C)CC1 ZINC000141345863 326664784 /nfs/dbraw/zinc/66/47/84/326664784.db2.gz BQCWSJJMKPHQSO-IBGZPJMESA-N 1 0 359.470 2.189 20 30 FEEDRO CCC(CC)[C@@H](CNC(=O)CNc1cccc(C#N)c1)[NH+]1CCOCC1 ZINC000152578927 326711035 /nfs/dbraw/zinc/71/10/35/326711035.db2.gz SZKIAXJPBGZBJM-LJQANCHMSA-N 1 0 358.486 2.223 20 30 FEEDRO CCOCCCNC(=O)C1CC[NH+](Cc2cc(C#N)ccc2OC)CC1 ZINC000156080837 326816810 /nfs/dbraw/zinc/81/68/10/326816810.db2.gz RTKOINGRXIRFKX-UHFFFAOYSA-N 1 0 359.470 2.322 20 30 FEEDRO COCCC[NH+]1CCC(NC(=O)C(C)(C)Oc2ccc(C#N)cc2)CC1 ZINC000161184182 326991013 /nfs/dbraw/zinc/99/10/13/326991013.db2.gz ZJEBPLDKRJHFQF-UHFFFAOYSA-N 1 0 359.470 2.333 20 30 FEEDRO CC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000162185787 327019261 /nfs/dbraw/zinc/01/92/61/327019261.db2.gz KYFUTDRHMCMSMN-ZDUSSCGKSA-N 1 0 361.389 2.340 20 30 FEEDRO CC[NH+](CC)Cc1cccc(CNS(=O)(=O)c2ccc(C#N)nc2)c1 ZINC000170665001 327092533 /nfs/dbraw/zinc/09/25/33/327092533.db2.gz UFNFCWTYJGUBCC-UHFFFAOYSA-N 1 0 358.467 2.274 20 30 FEEDRO CC(C)(C)[NH+]1CCC(NC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)CC1 ZINC000171135885 327120078 /nfs/dbraw/zinc/12/00/78/327120078.db2.gz ANRYTROHKHBZCR-UHFFFAOYSA-N 1 0 366.469 2.319 20 30 FEEDRO N#Cc1cccc(NC(=O)CC[N@@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)c1 ZINC000171620857 327148599 /nfs/dbraw/zinc/14/85/99/327148599.db2.gz NIFVSGHNAVBJMW-MRXNPFEDSA-N 1 0 364.453 2.304 20 30 FEEDRO CCOc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000172373504 327198526 /nfs/dbraw/zinc/19/85/26/327198526.db2.gz HMUFKVUGPILMDU-HNNXBMFYSA-N 1 0 372.469 2.134 20 30 FEEDRO N#Cc1ccc(C[NH2+]C2CCN(S(=O)(=O)Cc3ccccc3)CC2)o1 ZINC000174407046 327325069 /nfs/dbraw/zinc/32/50/69/327325069.db2.gz YXIFYHUWVMGLDT-UHFFFAOYSA-N 1 0 359.451 2.235 20 30 FEEDRO Cc1cccc(NC(=O)C(=O)NCCCC[NH+]2CCC(C)CC2)c1C#N ZINC000174641910 327340849 /nfs/dbraw/zinc/34/08/49/327340849.db2.gz VDZWGJDIDXYHPZ-UHFFFAOYSA-N 1 0 356.470 2.434 20 30 FEEDRO Cc1cccc(NC(=O)C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)c1C#N ZINC000174761557 327349117 /nfs/dbraw/zinc/34/91/17/327349117.db2.gz PHCUDYWRKGMQKZ-KRWDZBQOSA-N 1 0 364.449 2.094 20 30 FEEDRO C[C@@H](NC(=O)c1cc(C#N)c[nH]1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000175502584 327396548 /nfs/dbraw/zinc/39/65/48/327396548.db2.gz ZUUNNHDKMXYDOB-CYBMUJFWSA-N 1 0 355.417 2.268 20 30 FEEDRO C[NH+](C)CCOc1ccc(CCNC(=O)Cc2ccc(C#N)cc2)cc1 ZINC000264273888 329006610 /nfs/dbraw/zinc/00/66/10/329006610.db2.gz SDWUMTICRDGPDS-UHFFFAOYSA-N 1 0 351.450 2.400 20 30 FEEDRO N#Cc1cc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)ccc1Cl ZINC000264479688 329027447 /nfs/dbraw/zinc/02/74/47/329027447.db2.gz NCBOMHAKGCMORA-OAHLLOKOSA-N 1 0 360.845 2.237 20 30 FEEDRO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)CSc2ccc(C#N)cc2)CC1 ZINC000264510495 329031070 /nfs/dbraw/zinc/03/10/70/329031070.db2.gz KAVLTBUAQFKOLD-SFHVURJKSA-N 1 0 372.538 2.279 20 30 FEEDRO C[C@@H](CNC(=O)OC(C)(C)C)[N@H+](C)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000264746134 329056023 /nfs/dbraw/zinc/05/60/23/329056023.db2.gz UCLIWLQFJKKDNC-GOEBONIOSA-N 1 0 363.458 2.143 20 30 FEEDRO N#Cc1ccc(SCC(=O)N2CC[NH+](CC3CCOCC3)CC2)cc1 ZINC000265462798 329129749 /nfs/dbraw/zinc/12/97/49/329129749.db2.gz UGQUHGFAZLBITP-UHFFFAOYSA-N 1 0 359.495 2.221 20 30 FEEDRO CN1CC[C@H]([N@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C1=O ZINC000265676392 329149225 /nfs/dbraw/zinc/14/92/25/329149225.db2.gz ZJMOWUIFEWUVPX-HNNXBMFYSA-N 1 0 374.510 2.380 20 30 FEEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+](C)[C@@H]3CCN(C)C3=O)sc2C1 ZINC000265677709 329149283 /nfs/dbraw/zinc/14/92/83/329149283.db2.gz ZTKUSZOCMQCTSM-IUODEOHRSA-N 1 0 374.510 2.236 20 30 FEEDRO N#Cc1cccc(OCCCCC(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000266206321 329200297 /nfs/dbraw/zinc/20/02/97/329200297.db2.gz INUUZYBCQLDWHG-LJQANCHMSA-N 1 0 371.481 2.288 20 30 FEEDRO CC(C)OC(=O)[C@H](C)CNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000266747595 329255847 /nfs/dbraw/zinc/25/58/47/329255847.db2.gz DAAFQQKEJDAXBR-MRXNPFEDSA-N 1 0 374.485 2.219 20 30 FEEDRO CN1CCN(C(=O)c2ccc(C[NH2+]Cc3ccc(C#N)s3)cc2)CC1 ZINC000267221989 329304003 /nfs/dbraw/zinc/30/40/03/329304003.db2.gz SVFFBKPBUAISSU-UHFFFAOYSA-N 1 0 354.479 2.297 20 30 FEEDRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)Nc1ccc(F)cc1C#N ZINC000267541712 329336644 /nfs/dbraw/zinc/33/66/44/329336644.db2.gz DPGLJMHNHMEMDG-AWEZNQCLSA-N 1 0 360.433 2.407 20 30 FEEDRO COC(=O)[C@]1(F)CCN(CCC(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000267776089 329356956 /nfs/dbraw/zinc/35/69/56/329356956.db2.gz HDLIMJQXLFCGGS-KRWDZBQOSA-N 1 0 365.430 2.024 20 30 FEEDRO CS[C@@H]1CN(CC(=O)Nc2sc(C)c(C)c2C#N)C[C@@H]1[NH+](C)C ZINC000270686924 329622437 /nfs/dbraw/zinc/62/24/37/329622437.db2.gz WLZZDTRVJFLZMN-UONOGXRCSA-N 1 0 352.529 2.153 20 30 FEEDRO CS[C@@H]1CN(C(=O)c2c(F)cc(C#N)cc2F)C[C@@H]1[NH+]1CCCC1 ZINC000274190956 329924712 /nfs/dbraw/zinc/92/47/12/329924712.db2.gz LOXTVXHZLSYCMP-LSDHHAIUSA-N 1 0 351.422 2.488 20 30 FEEDRO C[C@H](NC(=O)C(=O)Nc1ccccc1CC[NH+](C)C)c1ccc(C#N)cc1 ZINC000275615939 330070547 /nfs/dbraw/zinc/07/05/47/330070547.db2.gz MCRTXOVPHLMAOV-HNNXBMFYSA-N 1 0 364.449 2.478 20 30 FEEDRO CN(Cc1nccs1)[C@H]1CC12CCN(C(=O)c1ccc(C#N)[nH]1)CC2 ZINC000275740098 330083319 /nfs/dbraw/zinc/08/33/19/330083319.db2.gz QANRHBMSFFHCFV-HNNXBMFYSA-N 1 0 355.467 2.470 20 30 FEEDRO C[C@@H]1CCC[N@@H+]1CCNS(=O)(=O)c1cccc(Br)c1C#N ZINC000805072688 674316898 /nfs/dbraw/zinc/31/68/98/674316898.db2.gz OSFMPHISLOMHPB-LLVKDONJSA-N 1 0 372.288 2.083 20 30 FEEDRO CC(C)OCCNC(=O)N(C)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC000328617643 519754788 /nfs/dbraw/zinc/75/47/88/519754788.db2.gz CYMRFJLQLYWFRS-DOTOQJQBSA-N 1 0 351.495 2.074 20 30 FEEDRO N#Cc1cc(F)ccc1NC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000155929422 545584271 /nfs/dbraw/zinc/58/42/71/545584271.db2.gz KGTIUXUXCYPVMX-UGSOOPFHSA-N 1 0 370.428 2.111 20 30 FEEDRO CC(=O)N1CC[C@H](C[N@@H+](C)CC(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000156558234 545635690 /nfs/dbraw/zinc/63/56/90/545635690.db2.gz GCGRRWCDRBNAGK-LJQANCHMSA-N 1 0 370.497 2.350 20 30 FEEDRO C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCCC[C@@H]1CN1CCOCC1 ZINC000157042938 545692880 /nfs/dbraw/zinc/69/28/80/545692880.db2.gz CAURIPBMMCPHKF-VQIMIIECSA-N 1 0 356.470 2.072 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N2CCC[C@@H](Oc3ccc(Cl)cn3)C2)CC1 ZINC000158116393 545825691 /nfs/dbraw/zinc/82/56/91/545825691.db2.gz MLQBJQJHKNRUBC-QGZVFWFLSA-N 1 0 361.873 2.450 20 30 FEEDRO CC(C)(O)C[NH+]1CCN(CC#Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000158188855 545833400 /nfs/dbraw/zinc/83/34/00/545833400.db2.gz QKEYHNZIOHQSGK-UHFFFAOYSA-N 1 0 356.388 2.325 20 30 FEEDRO N#Cc1cccc(/C=C/C(=O)NC[C@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)c1 ZINC000160588401 546055244 /nfs/dbraw/zinc/05/52/44/546055244.db2.gz MIQAVCYYQOYODJ-KSDPHVGKSA-N 1 0 361.445 2.323 20 30 FEEDRO CN(C)c1cccc(CNC(=[NH2+])N2CCN(c3ccc(Cl)cc3)CC2)n1 ZINC000162899866 546142936 /nfs/dbraw/zinc/14/29/36/546142936.db2.gz WTWCCLOOSUXDSI-UHFFFAOYSA-N 1 0 372.904 2.438 20 30 FEEDRO N#CCCN(C(=O)C[NH2+]C1(C(N)=O)CCCCC1)c1cccc(Cl)c1 ZINC000164236507 546150015 /nfs/dbraw/zinc/15/00/15/546150015.db2.gz SWSCUWXGUGERAE-UHFFFAOYSA-N 1 0 362.861 2.364 20 30 FEEDRO [NH2+]=C(NC[C@H](O)COc1cccc(C(F)(F)F)c1)Nc1ccccn1 ZINC000170910683 546181799 /nfs/dbraw/zinc/18/17/99/546181799.db2.gz PWSHBFNGJSWCHN-LBPRGKRZSA-N 1 0 354.332 2.267 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H](CN2CCOCC2)c2ccccc2)CC1 ZINC000171704558 546219866 /nfs/dbraw/zinc/21/98/66/546219866.db2.gz ADOCYBHJBBWRTC-FQEVSTJZSA-N 1 0 372.513 2.010 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)c2ccc(N3C[C@@H](C)O[C@H](C)C3)nc2)CC1 ZINC000171721476 546221948 /nfs/dbraw/zinc/22/19/48/546221948.db2.gz QSXNVMMEKOPHMK-HZPDHXFCSA-N 1 0 358.486 2.075 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)NCc2ccn(-c3ccc(OC)cc3)n2)CC1 ZINC000171723352 546221998 /nfs/dbraw/zinc/22/19/98/546221998.db2.gz AWULOBANYDHXCX-UHFFFAOYSA-N 1 0 369.469 2.331 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)Nc1ccc(F)cc1C#N)C(C)C ZINC000175950317 546377835 /nfs/dbraw/zinc/37/78/35/546377835.db2.gz MRTIYYUTMMYPDS-GOSISDBHSA-N 1 0 372.444 2.451 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)CCN2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000176251152 546424786 /nfs/dbraw/zinc/42/47/86/546424786.db2.gz ZSWIGTGPJXWXCJ-SFHVURJKSA-N 1 0 361.511 2.282 20 30 FEEDRO C[NH+]=C(NCc1cc(Cl)c2c(c1)OCCO2)NCC1CCOCC1 ZINC000176355235 546435560 /nfs/dbraw/zinc/43/55/60/546435560.db2.gz MYAKHTLZYYCJQI-UHFFFAOYSA-N 1 0 353.850 2.203 20 30 FEEDRO CN1CCC([NH+]2CCC(NC(=O)NCc3cc(C#N)ccc3F)CC2)CC1 ZINC000176382526 546438405 /nfs/dbraw/zinc/43/84/05/546438405.db2.gz WYDUAUKVFCHISP-UHFFFAOYSA-N 1 0 373.476 2.055 20 30 FEEDRO C=CCNC(=O)c1ccc(NC(=O)N(CCC#N)CCC[NH+](C)C)cc1 ZINC000176555198 546461035 /nfs/dbraw/zinc/46/10/35/546461035.db2.gz CMIQBMDUOFMVJQ-UHFFFAOYSA-N 1 0 357.458 2.302 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)[C@H]1COCCN1C1CCCC1)C(C)C ZINC000480948465 561220930 /nfs/dbraw/zinc/22/09/30/561220930.db2.gz AXNCVMDIWXXOPJ-WOJBJXKFSA-N 1 0 363.546 2.445 20 30 FEEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000178004425 546721262 /nfs/dbraw/zinc/72/12/62/546721262.db2.gz NEKWMKVLCGVCEW-HZPDHXFCSA-N 1 0 372.469 2.273 20 30 FEEDRO C=CCC[C@@H](O)C[NH+]1CCN(Cc2nc(-c3ccc(OC)cc3)no2)CC1 ZINC000178043009 546728755 /nfs/dbraw/zinc/72/87/55/546728755.db2.gz OEBAVZZNFCJVAU-QGZVFWFLSA-N 1 0 372.469 2.190 20 30 FEEDRO N#Cc1cccc(OCCCCC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)c1 ZINC000178097916 546738423 /nfs/dbraw/zinc/73/84/23/546738423.db2.gz JSHLNWOEZOHJLV-LJQANCHMSA-N 1 0 371.481 2.288 20 30 FEEDRO Cc1c(C#N)cccc1NC(=O)C(=O)N[C@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000178450448 546795664 /nfs/dbraw/zinc/79/56/64/546795664.db2.gz NOBDQAGVHCZVDC-QLFBSQMISA-N 1 0 356.470 2.288 20 30 FEEDRO Cc1c(C#N)cccc1NC(=O)C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000178447455 546796040 /nfs/dbraw/zinc/79/60/40/546796040.db2.gz YONGAAYGGCRXIU-GOSISDBHSA-N 1 0 368.412 2.363 20 30 FEEDRO N#Cc1ccc(NC(=O)C(=O)N2CCC[N@@H+](C3CCCC3)CC2)c(F)c1 ZINC000178863798 546863104 /nfs/dbraw/zinc/86/31/04/546863104.db2.gz UGHGBAMHKYRFCK-UHFFFAOYSA-N 1 0 358.417 2.113 20 30 FEEDRO C[C@H]([NH3+])C1CCN(S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)CC1 ZINC000178927357 546875064 /nfs/dbraw/zinc/87/50/64/546875064.db2.gz MQUGBCGXXIVWDH-JTQLQIEISA-N 1 0 361.389 2.325 20 30 FEEDRO CCCN([C@H]1CC[NH2+]C1)S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000178934781 546877149 /nfs/dbraw/zinc/87/71/49/546877149.db2.gz KZYITYHSFUMQID-LBPRGKRZSA-N 1 0 361.389 2.340 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N2C[C@H](O)C[C@H]2c2cc(F)ccc2F)CC1 ZINC000179033417 546889370 /nfs/dbraw/zinc/88/93/70/546889370.db2.gz GLSWPRDRWITFSF-QAPCUYQASA-N 1 0 365.424 2.433 20 30 FEEDRO C=CCc1cc(C[NH+]2CCC(C(=O)N3CCOCC3)CC2)cc(OC)c1O ZINC000179689365 546998758 /nfs/dbraw/zinc/99/87/58/546998758.db2.gz CJGBGXTTXJXHIF-UHFFFAOYSA-N 1 0 374.481 2.200 20 30 FEEDRO C[C@H](C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)CN1CCOCC1 ZINC000180233205 547070867 /nfs/dbraw/zinc/07/08/67/547070867.db2.gz KQKNRUQSPYMQLF-MRXNPFEDSA-N 1 0 353.470 2.017 20 30 FEEDRO COc1ccc([C@@H](CNS(=O)(=O)CC2(C#N)CC2)[NH+]2CCCC2)cc1 ZINC000180386108 547097639 /nfs/dbraw/zinc/09/76/39/547097639.db2.gz JLOOVDCEHUPNKM-QGZVFWFLSA-N 1 0 363.483 2.055 20 30 FEEDRO C[C@@H]([NH2+]CC(=O)NCC#N)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000180607024 547141889 /nfs/dbraw/zinc/14/18/89/547141889.db2.gz HTOIORLVCUXSSK-CYBMUJFWSA-N 1 0 354.385 2.368 20 30 FEEDRO N#CCCn1ccc(NC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000180893990 547204495 /nfs/dbraw/zinc/20/44/95/547204495.db2.gz WTXXMWNMCVJJFV-UHFFFAOYSA-N 1 0 353.430 2.230 20 30 FEEDRO C[C@H]([NH2+]CCS(=O)(=O)NCc1ccccc1)c1ccc(OCC#N)cc1 ZINC000181588408 547341335 /nfs/dbraw/zinc/34/13/35/547341335.db2.gz AZSZYLOAGZFKKV-INIZCTEOSA-N 1 0 373.478 2.359 20 30 FEEDRO C[C@@H]([NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cccc(C#N)c1 ZINC000181612382 547344421 /nfs/dbraw/zinc/34/44/21/547344421.db2.gz YBRQIFBTKJHWFJ-CYBMUJFWSA-N 1 0 374.422 2.096 20 30 FEEDRO CC[NH+](CC)C[C@H](C)NC(=O)Nc1ccc(S(=O)(=O)[C@@H](C)C#N)cc1 ZINC000483576317 561280067 /nfs/dbraw/zinc/28/00/67/561280067.db2.gz PZRNULVTZPMPMR-KBPBESRZSA-N 1 0 366.487 2.224 20 30 FEEDRO C[C@H]([NH2+]CC(=O)Nc1sccc1C#N)c1ccc(-n2ccnn2)cc1 ZINC000182036157 547426790 /nfs/dbraw/zinc/42/67/90/547426790.db2.gz IZCCPGHXXJFEDQ-LBPRGKRZSA-N 1 0 352.423 2.490 20 30 FEEDRO C[C@@H]([NH2+]C[C@H](O)COc1ccc(C#N)cc1)c1ccc(-n2ccnn2)cc1 ZINC000182043216 547427350 /nfs/dbraw/zinc/42/73/50/547427350.db2.gz GCYGEUOGVWZWFZ-BEFAXECRSA-N 1 0 363.421 2.229 20 30 FEEDRO N#CCCN(C(=O)C[NH2+][C@H](CC(N)=O)C1CCCCC1)c1ccccc1 ZINC000182044118 547428208 /nfs/dbraw/zinc/42/82/08/547428208.db2.gz GIACLFKBZXWSAM-GOSISDBHSA-N 1 0 356.470 2.347 20 30 FEEDRO C[C@@H]([NH2+]C[C@H](O)CS(=O)(=O)c1cccs1)c1ccc(C#N)cc1 ZINC000182061770 547429904 /nfs/dbraw/zinc/42/99/04/547429904.db2.gz YLJJDNVEIAEEKS-DOMZBBRYSA-N 1 0 350.465 2.105 20 30 FEEDRO N#Cc1ccc(C(=O)NCCc2ccc(OCC[NH+]3CCCC3)cc2)nc1 ZINC000182295685 547468594 /nfs/dbraw/zinc/46/85/94/547468594.db2.gz UPFVXNGKLZAWPC-UHFFFAOYSA-N 1 0 364.449 2.400 20 30 FEEDRO CC[C@@H]([NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1)[C@H]1CCCO1 ZINC000182355592 547478783 /nfs/dbraw/zinc/47/87/83/547478783.db2.gz MOAGXIFEOUIKKY-IAGOWNOFSA-N 1 0 353.426 2.230 20 30 FEEDRO C[N@H+](CCC1CC1)CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000182969811 547581072 /nfs/dbraw/zinc/58/10/72/547581072.db2.gz ARPORUIVPSCYGI-IBGZPJMESA-N 1 0 358.461 2.266 20 30 FEEDRO CCO[C@H]1COCC[C@H]1[NH2+]CC(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000484649597 561302314 /nfs/dbraw/zinc/30/23/14/561302314.db2.gz ROTWGCAMKQUSIS-MOPGFXCFSA-N 1 0 359.470 2.334 20 30 FEEDRO C[NH+](C)CC(C)(C)CNS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000184088984 547768371 /nfs/dbraw/zinc/76/83/71/547768371.db2.gz NSLBKHAGKIDYCH-UHFFFAOYSA-N 1 0 363.405 2.443 20 30 FEEDRO C[C@@H](CNC(=O)Nc1cnn(-c2ncccc2C#N)c1)C[NH+]1CCCCC1 ZINC000184606770 547853406 /nfs/dbraw/zinc/85/34/06/547853406.db2.gz CAKQVYVYVUXXBY-HNNXBMFYSA-N 1 0 367.457 2.382 20 30 FEEDRO C#CCC(C)(C)C(=O)NCCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000185056099 547924908 /nfs/dbraw/zinc/92/49/08/547924908.db2.gz VZAQGJXMXBWUDZ-UHFFFAOYSA-N 1 0 357.498 2.373 20 30 FEEDRO N#Cc1ccc(C[NH2+][C@@H](Cc2ccccc2)C(=O)N2CCOCC2)s1 ZINC000185161539 547944087 /nfs/dbraw/zinc/94/40/87/547944087.db2.gz IWSOPESXORCSQC-SFHVURJKSA-N 1 0 355.463 2.179 20 30 FEEDRO C[C@]1(C(N)=O)CCCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000185915266 548058634 /nfs/dbraw/zinc/05/86/34/548058634.db2.gz SPNDLGNMLKCCTO-GOSISDBHSA-N 1 0 360.483 2.167 20 30 FEEDRO CCOCCC[N@@H+]1CC[C@@H](NCC(=O)NC2(C#N)CCCCC2)[C@H](C)C1 ZINC000187020467 548243186 /nfs/dbraw/zinc/24/31/86/548243186.db2.gz PMTPLFHHRGRTDD-QZTJIDSGSA-N 1 0 364.534 2.056 20 30 FEEDRO CC(C)(C)OC(=O)N1Cc2ccc(CNC(=[NH2+])N3CCOCC3)cc2C1 ZINC000187133023 548251728 /nfs/dbraw/zinc/25/17/28/548251728.db2.gz LHXHSEUTUGSWIU-UHFFFAOYSA-N 1 0 360.458 2.084 20 30 FEEDRO C=C(C)[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(F)c(F)c1 ZINC000187755209 548262616 /nfs/dbraw/zinc/26/26/16/548262616.db2.gz UAECMWXPPBISIK-BBRMVZONSA-N 1 0 352.341 2.337 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)c2ccc(OC)cc2OCCOC)CC1 ZINC000188415200 548279028 /nfs/dbraw/zinc/27/90/28/548279028.db2.gz IDEAWJHZILVCKF-UHFFFAOYSA-N 1 0 362.470 2.491 20 30 FEEDRO C#CCOc1ccc([C@@H](C)[NH2+]Cc2ccc(S(=O)(=O)CCO)cc2)cc1 ZINC000189164501 548297660 /nfs/dbraw/zinc/29/76/60/548297660.db2.gz DQVGZGROGMBSAR-MRXNPFEDSA-N 1 0 373.474 2.315 20 30 FEEDRO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+](C)CC2(c3ccccc3)CC2)CC1 ZINC000189287835 548299627 /nfs/dbraw/zinc/29/96/27/548299627.db2.gz JMMIJYGKPUPXPO-FQEVSTJZSA-N 1 0 368.525 2.342 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+](C)CC1(O)CCOCC1 ZINC000189761854 548310948 /nfs/dbraw/zinc/31/09/48/548310948.db2.gz SZUXSMQXQHCEHU-OAHLLOKOSA-N 1 0 352.500 2.125 20 30 FEEDRO CCn1nccc1N1CCC[C@H]([NH2+]Cc2ccc(O[C@H](C)C#N)cc2)C1=O ZINC000191642560 548347394 /nfs/dbraw/zinc/34/73/94/548347394.db2.gz PPZWDBIZCHWQRN-QAPCUYQASA-N 1 0 367.453 2.479 20 30 FEEDRO CNC(=O)[C@@H]1CN(CCC(C#N)(c2ccccc2)c2ccccc2)CCO1 ZINC000191610368 548348394 /nfs/dbraw/zinc/34/83/94/548348394.db2.gz YSACDEIZNMGIDX-FQEVSTJZSA-N 1 0 363.461 2.333 20 30 FEEDRO C=CCc1ccccc1OC[C@@H](O)C[N@@H+](C)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC000192450078 548363739 /nfs/dbraw/zinc/36/37/39/548363739.db2.gz MRTBEEWMXGYPRO-NSHGMRRFSA-N 1 0 362.514 2.196 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2nc3c(s2)CCCC3)CC1 ZINC000192893843 548375265 /nfs/dbraw/zinc/37/52/65/548375265.db2.gz PEDSDLYNIVGBPC-UHFFFAOYSA-N 1 0 362.499 2.117 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)c2cc(N3C[C@@H](C)O[C@@H](C)C3)ccn2)CC1 ZINC000194608436 548504979 /nfs/dbraw/zinc/50/49/79/548504979.db2.gz KFCVCGSJGAQWHO-IYBDPMFKSA-N 1 0 358.486 2.075 20 30 FEEDRO C#Cc1cccc(NC(=O)C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000194629366 548508371 /nfs/dbraw/zinc/50/83/71/548508371.db2.gz USIUEHWVZZEUIA-IBGZPJMESA-N 1 0 361.445 2.245 20 30 FEEDRO COc1cc(C#N)ccc1OCC[N@@H+]1CC[C@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000245609050 548956925 /nfs/dbraw/zinc/95/69/25/548956925.db2.gz KWBPTZWCILVFAH-WMZOPIPTSA-N 1 0 369.465 2.421 20 30 FEEDRO CCC[C@H]1CN([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CC[N@@H+]1CCOC ZINC000245926823 549021000 /nfs/dbraw/zinc/02/10/00/549021000.db2.gz OSMQCPFGIVTSPN-PMACEKPBSA-N 1 0 370.497 2.096 20 30 FEEDRO COC(=O)[C@@H]1C[C@@H](c2ccccc2)C[N@@H+]([C@@H](C)C(=O)N(C)CCC#N)C1 ZINC000246291437 549098481 /nfs/dbraw/zinc/09/84/81/549098481.db2.gz OWCXWLOJHJGHAT-CGTJXYLNSA-N 1 0 357.454 2.026 20 30 FEEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1CC[C@@H](C[NH+](C)C)C1 ZINC000246396167 549124543 /nfs/dbraw/zinc/12/45/43/549124543.db2.gz PTPZKVURBXKDDB-IRXDYDNUSA-N 1 0 358.486 2.214 20 30 FEEDRO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000246674146 549186752 /nfs/dbraw/zinc/18/67/52/549186752.db2.gz LLRWGLOJBZNXCF-MJGOQNOKSA-N 1 0 356.470 2.159 20 30 FEEDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 ZINC000246814789 549219036 /nfs/dbraw/zinc/21/90/36/549219036.db2.gz VHSHDGAJDJGPGB-PMACEKPBSA-N 1 0 369.513 2.280 20 30 FEEDRO N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@H](Oc3ncccc3F)C2)cc1 ZINC000489025183 561401900 /nfs/dbraw/zinc/40/19/00/561401900.db2.gz GRHZMIMGCAIHBX-WMZOPIPTSA-N 1 0 371.412 2.375 20 30 FEEDRO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)N2CCO[C@@]3(CCOC3)C2)cc1 ZINC000248905350 549525853 /nfs/dbraw/zinc/52/58/53/549525853.db2.gz BCXGXTLXEMIOMB-XLIONFOSSA-N 1 0 357.454 2.122 20 30 FEEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000248979572 549534621 /nfs/dbraw/zinc/53/46/21/549534621.db2.gz FIOAXTQUGUZWTI-LKTVYLICSA-N 1 0 369.824 2.299 20 30 FEEDRO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H](c3nc(C(F)(F)F)cn3C)C2)C1=O ZINC000489932194 561422654 /nfs/dbraw/zinc/42/26/54/561422654.db2.gz IRBYAMDUUVVBGV-QWHCGFSZSA-N 1 0 356.392 2.405 20 30 FEEDRO C[NH+]=C(NCc1coc(-c2ccc(C)cc2)n1)N1CCC[C@H](CC(N)=O)C1 ZINC000261671288 549741359 /nfs/dbraw/zinc/74/13/59/549741359.db2.gz CAUKSMNITJKLDP-OAHLLOKOSA-N 1 0 369.469 2.313 20 30 FEEDRO CC(C)c1cccc(NC(=[NH2+])NCC2CCN(S(C)(=O)=O)CC2)c1 ZINC000261730850 549748476 /nfs/dbraw/zinc/74/84/76/549748476.db2.gz YCZXEPFCFOIVQI-UHFFFAOYSA-N 1 0 352.504 2.208 20 30 FEEDRO C/[NH+]=C(/NCc1cn2ccsc2n1)N1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000261733843 549748928 /nfs/dbraw/zinc/74/89/28/549748928.db2.gz LVROCHUAVSCOGB-GFCCVEGCSA-N 1 0 363.487 2.135 20 30 FEEDRO C[NH+]=C(NCc1coc(-c2ccccc2)n1)N1CCC[C@H](CC(N)=O)C1 ZINC000261781850 549754842 /nfs/dbraw/zinc/75/48/42/549754842.db2.gz PKFBQCQVFUSEBN-CQSZACIVSA-N 1 0 355.442 2.004 20 30 FEEDRO CC[S@](=O)[C@@H]1CCC[C@H](NC(NCc2ccc(O)c(F)c2)=[NH+]C)C1 ZINC000261823618 549759635 /nfs/dbraw/zinc/75/96/35/549759635.db2.gz USDKDONVRMMVNC-LCHIKPRUSA-N 1 0 355.479 2.276 20 30 FEEDRO C[NH+]=C(NC[C@H]1CCc2nnc(C)n2C1)N[C@H](C)Cc1ccc(C)s1 ZINC000261836177 549760807 /nfs/dbraw/zinc/76/08/07/549760807.db2.gz WBLKVRMOTYIBJH-IUODEOHRSA-N 1 0 360.531 2.315 20 30 FEEDRO C[NH+]=C(NCc1cc(Br)cs1)N1CCC[C@H](CC(N)=O)C1 ZINC000261846525 549762173 /nfs/dbraw/zinc/76/21/73/549762173.db2.gz XJOVAGXJUJVREJ-SNVBAGLBSA-N 1 0 373.320 2.173 20 30 FEEDRO C[NH+]=C(NCC(=O)N1CCc2ccccc21)Nc1ccc(OC)c(OC)c1 ZINC000261846425 549762702 /nfs/dbraw/zinc/76/27/02/549762702.db2.gz XHJKTJNYOCMJLB-UHFFFAOYSA-N 1 0 368.437 2.280 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)cc1Cl ZINC000261952382 549773535 /nfs/dbraw/zinc/77/35/35/549773535.db2.gz WOBISFVHHQOVDW-INIZCTEOSA-N 1 0 353.875 2.364 20 30 FEEDRO C[C@@H]1CCCC[C@@H]1[NH+]=C(NCc1ccco1)NC[C@@H]1CCS(=O)(=O)C1 ZINC000262334330 549811519 /nfs/dbraw/zinc/81/15/19/549811519.db2.gz BMLKCDJUMXLZKE-VYDXJSESSA-N 1 0 367.515 2.328 20 30 FEEDRO CC(C)c1cccc(NC(=[NH2+])NC[C@H]2CCC[C@H]2NS(C)(=O)=O)c1 ZINC000262349862 549812892 /nfs/dbraw/zinc/81/28/92/549812892.db2.gz DZQASTBMITWLGX-GDBMZVCRSA-N 1 0 352.504 2.255 20 30 FEEDRO C=CCNC(=[NH+]C[C@H]1CCS(=O)(=O)C1)N1CC[C@H](c2ccccc2)C1 ZINC000262382723 549815533 /nfs/dbraw/zinc/81/55/33/549815533.db2.gz KSLRATGLLUHKSD-AEFFLSMTSA-N 1 0 361.511 2.042 20 30 FEEDRO C/[NH+]=C(/NCc1cn2ccsc2n1)NC[C@@](C)(O)c1cc(C)oc1C ZINC000262482036 549823527 /nfs/dbraw/zinc/82/35/27/549823527.db2.gz YDGDJYPMKASCEO-QGZVFWFLSA-N 1 0 361.471 2.178 20 30 FEEDRO [NH2+]=C(NC[C@H]1CCCC[C@H]1C(F)(F)F)N1CCN(c2ncccn2)CC1 ZINC000262500146 549824839 /nfs/dbraw/zinc/82/48/39/549824839.db2.gz YZCGEVQZGZOGQB-ZIAGYGMSSA-N 1 0 370.423 2.282 20 30 FEEDRO Cc1ccc(NC(=[NH2+])NCC2CCN(S(=O)(=O)C(F)F)CC2)cc1C ZINC000262550117 549827617 /nfs/dbraw/zinc/82/76/17/549827617.db2.gz XOKGJAQOZLDFLI-UHFFFAOYSA-N 1 0 374.457 2.294 20 30 FEEDRO CC[NH+]=C(NC[C@@H]1CCc2nnc(C)n2C1)N1CCc2ccccc2C1 ZINC000262758981 549846849 /nfs/dbraw/zinc/84/68/49/549846849.db2.gz FIKDWOKBHVIBHC-INIZCTEOSA-N 1 0 352.486 2.173 20 30 FEEDRO C=CCNC(=O)Nc1ccc(NC(=O)[C@]2([NH3+])C[C@H](OCC)C2(C)C)cc1 ZINC000262795203 549851208 /nfs/dbraw/zinc/85/12/08/549851208.db2.gz PGJAYZNFTFLPLT-HNAYVOBHSA-N 1 0 360.458 2.465 20 30 FEEDRO CCC[NH+](CCC)CCCNC(=O)C(=O)Nc1cccc(OCC#N)c1 ZINC000263956710 549959875 /nfs/dbraw/zinc/95/98/75/549959875.db2.gz GOAWWAGAWKFQLK-UHFFFAOYSA-N 1 0 360.458 2.156 20 30 FEEDRO COCC[N@H+](C)CCCNC(=O)c1occc1COc1cccc(C#N)c1 ZINC000264002516 549966672 /nfs/dbraw/zinc/96/66/72/549966672.db2.gz RMVGSKNSHSHHKZ-UHFFFAOYSA-N 1 0 371.437 2.428 20 30 FEEDRO CC[C@@H](C)NC(=[NH2+])NCc1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000264311622 549994030 /nfs/dbraw/zinc/99/40/30/549994030.db2.gz UWTCHZRRAOBELD-CQSZACIVSA-N 1 0 352.504 2.064 20 30 FEEDRO CC[NH+]1CCN(c2ccc(CNC(=O)N(C)C[C@H](C)C#N)cc2F)CC1 ZINC000264395162 549995378 /nfs/dbraw/zinc/99/53/78/549995378.db2.gz XUVBZQUEYDKGFF-OAHLLOKOSA-N 1 0 361.465 2.269 20 30 FEEDRO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N1CCC[C@@H]([NH+](C)C)C1 ZINC000264656388 549999463 /nfs/dbraw/zinc/99/94/63/549999463.db2.gz ZPDUNOKCMCEDFJ-IAGOWNOFSA-N 1 0 358.486 2.356 20 30 FEEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000264747650 550000917 /nfs/dbraw/zinc/00/09/17/550000917.db2.gz JJKTYYJXYOVQBE-ZDUSSCGKSA-N 1 0 356.923 2.345 20 30 FEEDRO C[C@H](CN(C)C(=O)OC(C)(C)C)C(N)=NOCc1cccc(C(N)=O)c1 ZINC000264822381 550002178 /nfs/dbraw/zinc/00/21/78/550002178.db2.gz GFYZOHRMBFIXEO-GFCCVEGCSA-N 1 0 364.446 2.077 20 30 FEEDRO N#CCOc1ccc(/C=C/C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)cc1 ZINC000265478578 550010020 /nfs/dbraw/zinc/01/00/20/550010020.db2.gz CBJMZJRUYUVLTP-HNSSHINMSA-N 1 0 369.465 2.219 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CC[C@H](COCCOC)C1)C(C)C ZINC000266650832 550022466 /nfs/dbraw/zinc/02/24/66/550022466.db2.gz HAPNEMDCFZCNOT-OALUTQOASA-N 1 0 367.534 2.380 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)CCSc1n[nH]c(C)n1)C(C)C ZINC000266820313 550024622 /nfs/dbraw/zinc/02/46/22/550024622.db2.gz ICFAZEDRJUZZHJ-HNNXBMFYSA-N 1 0 351.520 2.410 20 30 FEEDRO [NH2+]=C(NCc1nnc2n1CCCC2)NCc1cccc(C(F)(F)F)c1 ZINC000266987721 550025921 /nfs/dbraw/zinc/02/59/21/550025921.db2.gz RPXYNZAWEKSGAK-UHFFFAOYSA-N 1 0 352.364 2.238 20 30 FEEDRO C[NH+](C)Cc1c2ccccc2oc1C(=O)NC[C@H]1CCCN(CC#N)C1 ZINC000267106447 550027684 /nfs/dbraw/zinc/02/76/84/550027684.db2.gz PXEHVIGKFNFVHT-OAHLLOKOSA-N 1 0 354.454 2.460 20 30 FEEDRO COc1cc(OC)cc(N2CC[C@@H]([N@H+](C)CCCSCC#N)C2=O)c1 ZINC000267108701 550027752 /nfs/dbraw/zinc/02/77/52/550027752.db2.gz WVFRSYNDSQLEJY-QGZVFWFLSA-N 1 0 363.483 2.388 20 30 FEEDRO C=CCOc1ccccc1CNC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000267396467 550030427 /nfs/dbraw/zinc/03/04/27/550030427.db2.gz XXAWCRNAWRULED-QGZVFWFLSA-N 1 0 359.470 2.115 20 30 FEEDRO C[C@@H]1C[NH+](CC2CCN(c3nccc(C#N)c3[N+](=O)[O-])CC2)C[C@@H](C)O1 ZINC000268517010 550080321 /nfs/dbraw/zinc/08/03/21/550080321.db2.gz UDOOQVZMRGXBCE-ZIAGYGMSSA-N 1 0 359.430 2.187 20 30 FEEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000269037799 550147593 /nfs/dbraw/zinc/14/75/93/550147593.db2.gz BPXHDOJGLUWMPL-UHFFFAOYSA-N 1 0 350.422 2.493 20 30 FEEDRO N#CCOc1cccc(NC(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c1 ZINC000269231480 550169791 /nfs/dbraw/zinc/16/97/91/550169791.db2.gz XXOUYERVJMZSAB-ZWKOTPCHSA-N 1 0 358.442 2.088 20 30 FEEDRO C=CCC[C@@H](NC(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O)c1ccccc1 ZINC000269335437 550182345 /nfs/dbraw/zinc/18/23/45/550182345.db2.gz DJKAHVBLFWTHHU-QZTJIDSGSA-N 1 0 358.486 2.333 20 30 FEEDRO C[C@](C#N)(NC(=O)C[N@@H+]1CCC[C@@H]1Cn1cnc2ccccc21)C1CC1 ZINC000270439282 550272621 /nfs/dbraw/zinc/27/26/21/550272621.db2.gz JKUXVLVKVWNSHT-OXQOHEQNSA-N 1 0 351.454 2.309 20 30 FEEDRO Cc1nn(CC(F)(F)F)c(C)c1CC(=O)N(CCC#N)CCC[NH+](C)C ZINC000270637891 550291635 /nfs/dbraw/zinc/29/16/35/550291635.db2.gz FYNOWCWFSUIART-UHFFFAOYSA-N 1 0 373.423 2.299 20 30 FEEDRO COc1ccc(C[NH+]2CCC3(CNC(=O)C3)CC2)cc1OCCCC#N ZINC000271176801 550349105 /nfs/dbraw/zinc/34/91/05/550349105.db2.gz KBDNFZYFQMRTPP-UHFFFAOYSA-N 1 0 357.454 2.480 20 30 FEEDRO CC(C)[NH+]1CCN(c2ccc(C(=O)N3CCSC[C@@H]3C#N)cc2)CC1 ZINC000271726804 550397755 /nfs/dbraw/zinc/39/77/55/550397755.db2.gz MQUIQHRPJJPVSJ-SFHVURJKSA-N 1 0 358.511 2.298 20 30 FEEDRO C=C(C)COc1cccc(NC(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@H]32)c1 ZINC000272361854 550441219 /nfs/dbraw/zinc/44/12/19/550441219.db2.gz SGZFUWCDVGSGKK-CRAIPNDOSA-N 1 0 357.454 2.133 20 30 FEEDRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N(CCC#N)CC(C)(C)C)CC1=O ZINC000494411529 561469244 /nfs/dbraw/zinc/46/92/44/561469244.db2.gz BVMKSDAMIVYFQF-DLBZAZTESA-N 1 0 362.518 2.108 20 30 FEEDRO CCOC(=O)N1CCC(NC(=[NH2+])NC[C@H](C)c2nc(C)cs2)CC1 ZINC000273464610 550499595 /nfs/dbraw/zinc/49/95/95/550499595.db2.gz IHOMVYBWXAIRBH-NSHDSACASA-N 1 0 353.492 2.080 20 30 FEEDRO C[C@H](C#N)CN(C)C(=O)C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000275699830 550573728 /nfs/dbraw/zinc/57/37/28/550573728.db2.gz OAACCDPDNZSEDB-MRXNPFEDSA-N 1 0 356.470 2.475 20 30 FEEDRO C(#CC[NH+]1CCC(n2ccnc2)CC1)C[NH+]1CCC(n2ccnc2)CC1 ZINC000276280651 550577820 /nfs/dbraw/zinc/57/78/20/550577820.db2.gz FTGKLOOHTIPTAA-UHFFFAOYSA-N 1 0 352.486 2.057 20 30 FEEDRO C[C@@H]([NH2+]Cc1ccc(S(=O)(=O)CCO)cc1)c1ccc(C#N)c(F)c1 ZINC000276910154 550609902 /nfs/dbraw/zinc/60/99/02/550609902.db2.gz OWGFCJMPRNRVEG-CYBMUJFWSA-N 1 0 362.426 2.314 20 30 FEEDRO CN1C(=O)C[C@H]([NH2+]C[C@H](O)c2ccc(C#N)cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000276961559 550615979 /nfs/dbraw/zinc/61/59/79/550615979.db2.gz QCSSLTLMUQMYSK-BJLQDIEVSA-N 1 0 371.387 2.431 20 30 FEEDRO CC(C)[N@H+](C)Cc1ccccc1CNS(=O)(=O)c1cccnc1C#N ZINC000276962483 550616134 /nfs/dbraw/zinc/61/61/34/550616134.db2.gz DNNAXIKDNRJXFX-UHFFFAOYSA-N 1 0 358.467 2.272 20 30 FEEDRO CC1CC[NH+](C2CCC(NS(=O)(=O)c3cccnc3C#N)CC2)CC1 ZINC000277142197 550636505 /nfs/dbraw/zinc/63/65/05/550636505.db2.gz KEPDXOMXIGMDLA-UHFFFAOYSA-N 1 0 362.499 2.275 20 30 FEEDRO COc1ccc(CNC(=[NH2+])NCCOCC(F)(F)C(F)F)cc1OC ZINC000277412445 550667244 /nfs/dbraw/zinc/66/72/44/550667244.db2.gz DTCUYSUBWLYSSO-UHFFFAOYSA-N 1 0 367.343 2.025 20 30 FEEDRO CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cccc(Br)c1[O-] ZINC000277476778 550675240 /nfs/dbraw/zinc/67/52/40/550675240.db2.gz KHWBPVRLDLICHL-LBPRGKRZSA-N 1 0 355.280 2.043 20 30 FEEDRO CC(C)[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)C[C@@H](O)COc1ccccc1 ZINC000277843156 550720704 /nfs/dbraw/zinc/72/07/04/550720704.db2.gz SDBLRDRTJWLZGT-YLJYHZDGSA-N 1 0 361.486 2.191 20 30 FEEDRO Cc1cc(S(N)(=O)=O)ccc1CNC(=[NH2+])N[C@H](C)CCCC(C)C ZINC000278039933 550741851 /nfs/dbraw/zinc/74/18/51/550741851.db2.gz RZNSMKFBEGWYND-CQSZACIVSA-N 1 0 354.520 2.262 20 30 FEEDRO CCNC(=O)C1(C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)CCC1 ZINC000278553763 550798660 /nfs/dbraw/zinc/79/86/60/550798660.db2.gz BTHZWIMCFOGJBH-UHFFFAOYSA-N 1 0 366.469 2.255 20 30 FEEDRO CCOC(=O)c1ncn(C2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1N ZINC000279209051 550865315 /nfs/dbraw/zinc/86/53/15/550865315.db2.gz GVPCJCFOLPUYHW-UHFFFAOYSA-N 1 0 353.426 2.351 20 30 FEEDRO CNC(=O)[C@]1(C)CC[N@H+](CC(=O)N(CCC#N)c2cccc(C)c2C)C1 ZINC000280492445 550999870 /nfs/dbraw/zinc/99/98/70/550999870.db2.gz AQUDUANJAYUZLR-HXUWFJFHSA-N 1 0 356.470 2.008 20 30 FEEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CC[C@](C)(C(N)=O)C2)c1 ZINC000280714083 551024415 /nfs/dbraw/zinc/02/44/15/551024415.db2.gz JNDPKVJDJJWMTB-JXFKEZNVSA-N 1 0 356.470 2.136 20 30 FEEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CC[C@@](C)(C(N)=O)C3)sc2C1 ZINC000280868334 551040897 /nfs/dbraw/zinc/04/08/97/551040897.db2.gz ZJAUXQIUFGNWLX-HXPMCKFVSA-N 1 0 374.510 2.270 20 30 FEEDRO N#Cc1ccc(C[C@@H](C#N)C(=O)NCC2([NH+]3CCCC3)CCOCC2)cc1 ZINC000280960556 551049466 /nfs/dbraw/zinc/04/94/66/551049466.db2.gz QZJKPTJUSFUJNN-IBGZPJMESA-N 1 0 366.465 2.002 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)NC[C@@H]2CC(c3ccc(C)cc3)=NO2)CC1 ZINC000282076580 551177358 /nfs/dbraw/zinc/17/73/58/551177358.db2.gz BUAKZZAHJONFNC-SFHVURJKSA-N 1 0 356.470 2.438 20 30 FEEDRO C=CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC000282295494 551208116 /nfs/dbraw/zinc/20/81/16/551208116.db2.gz OBZVIUKBIPTYLO-UHFFFAOYSA-N 1 0 369.473 2.078 20 30 FEEDRO C=CCn1c(Cn2nc(C)cc2C)nnc1N1CC[NH+](C2CCC2)CC1 ZINC000282397161 551222843 /nfs/dbraw/zinc/22/28/43/551222843.db2.gz WFSLQZXGIKWZEM-UHFFFAOYSA-N 1 0 355.490 2.000 20 30 FEEDRO C=CCOc1ccc(C(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)cc1 ZINC000497462083 561501312 /nfs/dbraw/zinc/50/13/12/561501312.db2.gz OOWYTDLCQRDDNZ-PXNSSMCTSA-N 1 0 357.498 2.349 20 30 FEEDRO C#Cc1cc(F)c(NC(=O)C(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)c(F)c1 ZINC000283086329 551309546 /nfs/dbraw/zinc/30/95/46/551309546.db2.gz YOSUACGRMOEXCJ-STQMWFEESA-N 1 0 363.408 2.121 20 30 FEEDRO C=C(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[NH+](C2CCC2)CC1 ZINC000283427996 551364419 /nfs/dbraw/zinc/36/44/19/551364419.db2.gz YBRCRDDHVLUCPY-UHFFFAOYSA-N 1 0 369.517 2.390 20 30 FEEDRO C#CCC[NH+]1CCC(c2nnc3n2CCN(C(=O)OC(C)(C)C)C3)CC1 ZINC000283650259 551403377 /nfs/dbraw/zinc/40/33/77/551403377.db2.gz DDBFEXAJAJXJKI-UHFFFAOYSA-N 1 0 359.474 2.232 20 30 FEEDRO C[C@@H](NC(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)c1ccc(C#N)cc1 ZINC000284092634 551481834 /nfs/dbraw/zinc/48/18/34/551481834.db2.gz SREQYNFRQBSANT-RHSMWYFYSA-N 1 0 358.486 2.218 20 30 FEEDRO CC(C)CC[NH+]1CCC(CNC(=O)C(=O)NCc2cccc(C#N)c2)CC1 ZINC000284167495 551496504 /nfs/dbraw/zinc/49/65/04/551496504.db2.gz YMFJCVTZYCHSAD-UHFFFAOYSA-N 1 0 370.497 2.049 20 30 FEEDRO CC(C)(C)[C@H](O)C[C@@H](CO)[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000284343601 551528555 /nfs/dbraw/zinc/52/85/55/551528555.db2.gz MYOWPXBHSMWAOX-VQTJNVASSA-N 1 0 359.514 2.270 20 30 FEEDRO Cc1nn(C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)c(=O)c(C#N)c1C ZINC000284401989 551541878 /nfs/dbraw/zinc/54/18/78/551541878.db2.gz ZTNGDVYVOAPBKU-GOSISDBHSA-N 1 0 352.438 2.023 20 30 FEEDRO C[N@@H+]1CC[C@@H]2OCCN(Cc3cn(CCC#N)nc3-c3ccccc3)[C@H]2C1 ZINC000284459100 551553598 /nfs/dbraw/zinc/55/35/98/551553598.db2.gz AHKHPRQSWIXUIP-PMACEKPBSA-N 1 0 365.481 2.369 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H](c2ccc(C)cc2)C2CC2)CC1 ZINC000284651359 551599295 /nfs/dbraw/zinc/59/92/95/551599295.db2.gz XTLUJGGMVWFUFY-IBGZPJMESA-N 1 0 355.482 2.329 20 30 FEEDRO C=CCCCCCN(C)C(=O)C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000284796137 551635669 /nfs/dbraw/zinc/63/56/69/551635669.db2.gz GMSAQFQEBGUPRJ-UHFFFAOYSA-N 1 0 372.513 2.367 20 30 FEEDRO CC[N@@H+]1CC[C@H](CNC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)C1 ZINC000284920504 551667822 /nfs/dbraw/zinc/66/78/22/551667822.db2.gz ATGTVRJVKHXHPZ-MRXNPFEDSA-N 1 0 358.461 2.372 20 30 FEEDRO C=CCOc1ccc(C[NH2+]Cc2c(C)nn(C)c2N2CCOCC2)cc1 ZINC000285495935 551765386 /nfs/dbraw/zinc/76/53/86/551765386.db2.gz IYFFVAZXQPBUID-UHFFFAOYSA-N 1 0 356.470 2.420 20 30 FEEDRO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@](O)(C(F)(F)F)CC2)cc1 ZINC000285576434 551777234 /nfs/dbraw/zinc/77/72/34/551777234.db2.gz OCIPZLCIQLUAGH-ZBFHGGJFSA-N 1 0 358.360 2.077 20 30 FEEDRO CC(C)[C@@H](C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1)N1CCOCC1 ZINC000285676805 551793530 /nfs/dbraw/zinc/79/35/30/551793530.db2.gz NSAJPWKBLYAIKZ-OAQYLSRUSA-N 1 0 356.514 2.473 20 30 FEEDRO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@@H](C)[C@H]2CO)cc1 ZINC000498972697 561539798 /nfs/dbraw/zinc/53/97/98/561539798.db2.gz JGTPBAOEIUJNQG-VQIMIIECSA-N 1 0 359.470 2.425 20 30 FEEDRO C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C)c1ccc(OCC#N)cc1 ZINC000285808633 551813730 /nfs/dbraw/zinc/81/37/30/551813730.db2.gz WHYDJFUBSPVKPF-UXDRXVOSSA-N 1 0 370.497 2.323 20 30 FEEDRO C[N@@H+]1CCN(C(=O)C2CCN(c3ccc(C#N)cc3F)CC2)C(C)(C)C1 ZINC000285858982 551819986 /nfs/dbraw/zinc/81/99/86/551819986.db2.gz QTSBGTSHHKWWNX-UHFFFAOYSA-N 1 0 358.461 2.466 20 30 FEEDRO N#Cc1ccc(N2CCC([NH2+]CCn3c(=O)[nH]c4ccccc43)CC2)cc1 ZINC000286168388 551856663 /nfs/dbraw/zinc/85/66/63/551856663.db2.gz PSMNYKQVGMGIHY-UHFFFAOYSA-N 1 0 361.449 2.460 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(CC)CCc2cccs2)CC1 ZINC000286842936 551932430 /nfs/dbraw/zinc/93/24/30/551932430.db2.gz YGZVRHYXYFRFPX-UHFFFAOYSA-N 1 0 363.527 2.296 20 30 FEEDRO N#Cc1ccc(N2CC[C@H](C(=O)N3CC[N@@H+]4CCCC[C@@H]4C3)C2)c(F)c1 ZINC000286886039 551936605 /nfs/dbraw/zinc/93/66/05/551936605.db2.gz IUBFRHBWFYKECZ-DLBZAZTESA-N 1 0 356.445 2.220 20 30 FEEDRO COCCNC(=[NH2+])NCc1cccc2c1CCCN2C(=O)OC(C)(C)C ZINC000286948407 551943595 /nfs/dbraw/zinc/94/35/95/551943595.db2.gz AMJKFWGCSDGMKJ-UHFFFAOYSA-N 1 0 362.474 2.425 20 30 FEEDRO C=CCN(CCc1ccco1)C(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000286966279 551945457 /nfs/dbraw/zinc/94/54/57/551945457.db2.gz CJDUJMKEBNFQLV-KRWDZBQOSA-N 1 0 363.502 2.319 20 30 FEEDRO CCN(CCC[NH+](C)C)C(=O)Nc1ccc(S(=O)(=O)[C@H](C)C#N)cc1 ZINC000287044143 551955690 /nfs/dbraw/zinc/95/56/90/551955690.db2.gz GJWYXBYFVBTTQQ-CQSZACIVSA-N 1 0 366.487 2.178 20 30 FEEDRO C=CCOc1ccccc1CNC(=O)C(=O)N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000287422894 552002228 /nfs/dbraw/zinc/00/22/28/552002228.db2.gz QWXSSIJUPYNEBJ-QGZVFWFLSA-N 1 0 373.497 2.058 20 30 FEEDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC000287503154 552012659 /nfs/dbraw/zinc/01/26/59/552012659.db2.gz UPQDNANVOCIGPH-SIIHOXLZSA-N 1 0 356.445 2.123 20 30 FEEDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)C(=O)Nc1ccc(Cl)c(C#N)c1 ZINC000287996773 552072709 /nfs/dbraw/zinc/07/27/09/552072709.db2.gz GNAVWLCJNCILEP-WFASDCNBSA-N 1 0 360.845 2.235 20 30 FEEDRO C[NH+](C)C[C@H]1CCCN1S(=O)(=O)c1cccc(Br)c1C#N ZINC000288109219 552092902 /nfs/dbraw/zinc/09/29/02/552092902.db2.gz LLFRSQOJDHMDLT-LLVKDONJSA-N 1 0 372.288 2.035 20 30 FEEDRO C=CCCCNC(=O)C(=O)N[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000288164382 552102747 /nfs/dbraw/zinc/10/27/47/552102747.db2.gz MEZIRXPOFDQSIF-DZFIZOCASA-N 1 0 357.498 2.342 20 30 FEEDRO C=C(CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)c1ccccc1 ZINC000288238607 552116503 /nfs/dbraw/zinc/11/65/03/552116503.db2.gz STQBLBUGNIDILX-YQQQUEKLSA-N 1 0 370.497 2.083 20 30 FEEDRO C=CCN1CC[C@H]([N@H+](C)C[C@@H](O)COc2ccc(Cl)cc2Cl)C1=O ZINC000499943053 561562375 /nfs/dbraw/zinc/56/23/75/561562375.db2.gz ZUKCPYJUJQAWMP-HIFRSBDPSA-N 1 0 373.280 2.452 20 30 FEEDRO CC(C)(CCC#N)CNC(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000500192882 561567586 /nfs/dbraw/zinc/56/75/86/561567586.db2.gz YZLBCDNJHZFZHA-IAGOWNOFSA-N 1 0 350.507 2.383 20 30 FEEDRO C#Cc1ccc(C[N@H+]2CCCN(Cc3nc([C@H](C)OC)no3)CC2)cc1 ZINC000289214506 552283481 /nfs/dbraw/zinc/28/34/81/552283481.db2.gz IVLSZZHGVJEDLL-INIZCTEOSA-N 1 0 354.454 2.466 20 30 FEEDRO CCN(CCC#N)C(=O)C[NH2+][C@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000289361372 552306935 /nfs/dbraw/zinc/30/69/35/552306935.db2.gz IVUYLBJFEWATHM-FUHWJXTLSA-N 1 0 350.413 2.062 20 30 FEEDRO C#Cc1cc(F)c(NC(=O)C(=O)N[C@H](C)C[N@@H+](C)CCCC)c(F)c1 ZINC000289945775 552403686 /nfs/dbraw/zinc/40/36/86/552403686.db2.gz CXPCYELQDTVBSH-GFCCVEGCSA-N 1 0 351.397 2.121 20 30 FEEDRO C#Cc1ccccc1CC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000290289272 552454649 /nfs/dbraw/zinc/45/46/49/552454649.db2.gz ASIZVHQHBSUVLA-VXKWHMMOSA-N 1 0 362.473 2.210 20 30 FEEDRO C[C@@]1(CNC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)CCOC1 ZINC000500840019 561583926 /nfs/dbraw/zinc/58/39/26/561583926.db2.gz PBKOHTAAQLBGID-FQEVSTJZSA-N 1 0 356.470 2.202 20 30 FEEDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)Cc2cc(C#N)ccc2F)C[C@@H]1C ZINC000500934571 561586080 /nfs/dbraw/zinc/58/60/80/561586080.db2.gz JKSAUIKOKHFJDL-XJKSGUPXSA-N 1 0 353.463 2.332 20 30 FEEDRO C[NH+]1CCC([C@@H]2CCN(S(=O)(=O)Cc3cc(C#N)ccc3F)C2)CC1 ZINC000501057945 561588720 /nfs/dbraw/zinc/58/87/20/561588720.db2.gz NUYSYYADDGGTLP-MRXNPFEDSA-N 1 0 365.474 2.191 20 30 FEEDRO CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@@H](C)c1ccc(N2CCCNC2=O)cc1 ZINC000291192903 552598284 /nfs/dbraw/zinc/59/82/84/552598284.db2.gz JAGWMKYJIAHBMM-YWZLYKJASA-N 1 0 371.485 2.311 20 30 FEEDRO C[NH+]1CCC(CC(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)CC1 ZINC000291486019 552629541 /nfs/dbraw/zinc/62/95/41/552629541.db2.gz LBEFSPSFOLWOHQ-UHFFFAOYSA-N 1 0 368.481 2.467 20 30 FEEDRO CC(C)[NH+](CCNC(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1)C(C)C ZINC000291732901 552655861 /nfs/dbraw/zinc/65/58/61/552655861.db2.gz RPNYVJKUCAWLBT-KRWDZBQOSA-N 1 0 359.474 2.235 20 30 FEEDRO C[NH+](C)C[C@H]1CCc2ccccc2N1S(=O)(=O)c1ccc(C#N)nc1 ZINC000291792043 552662344 /nfs/dbraw/zinc/66/23/44/552662344.db2.gz AAGGVGGGPNAGGD-MRXNPFEDSA-N 1 0 356.451 2.025 20 30 FEEDRO COc1ccc([C@@H](O)C2CC[NH+]([C@H](C)C(=O)N(C)CCC#N)CC2)cc1 ZINC000291906978 552673816 /nfs/dbraw/zinc/67/38/16/552673816.db2.gz ROPXQEKRNXMBDM-DNVCBOLYSA-N 1 0 359.470 2.201 20 30 FEEDRO Cc1oc(NC(=O)CN2CC[C@](CO)(c3ccccc3)C2)c(C#N)c1C ZINC000291961929 552679144 /nfs/dbraw/zinc/67/91/44/552679144.db2.gz VCJVPGJHWQVNOV-FQEVSTJZSA-N 1 0 353.422 2.343 20 30 FEEDRO N#Cc1ccc(O[C@@H]2CCN(CC(=O)Nc3ccc(F)cc3F)C2)nc1 ZINC000292178567 552701757 /nfs/dbraw/zinc/70/17/57/552701757.db2.gz MGYHMNDOFICMFZ-CQSZACIVSA-N 1 0 358.348 2.323 20 30 FEEDRO CN(Cc1ccccc1F)C(=O)CN1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292198296 552703757 /nfs/dbraw/zinc/70/37/57/552703757.db2.gz NOVWPZPKSHSHKX-KRWDZBQOSA-N 1 0 368.412 2.204 20 30 FEEDRO COc1cc(/C=C/C(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)ccc1OCC#N ZINC000292431131 552726123 /nfs/dbraw/zinc/72/61/23/552726123.db2.gz WCTFPHWBJFVYHY-XXIDSNJLSA-N 1 0 355.438 2.165 20 30 FEEDRO CCNC(=O)[C@@H]([NH2+]CC(=O)N(CCC#N)c1cccc(Cl)c1)C(C)C ZINC000293254559 552803739 /nfs/dbraw/zinc/80/37/39/552803739.db2.gz MIUUVBYPRATOJG-KRWDZBQOSA-N 1 0 364.877 2.337 20 30 FEEDRO C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1cc(Cl)c(Cl)cc1OC ZINC000293459525 552826197 /nfs/dbraw/zinc/82/61/97/552826197.db2.gz TYWYMJNVLABKNX-UHFFFAOYSA-N 1 0 372.252 2.012 20 30 FEEDRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)Cc1ccc(F)cc1C#N ZINC000294243635 552890655 /nfs/dbraw/zinc/89/06/55/552890655.db2.gz PLRYHWPSJUYSFI-IAGOWNOFSA-N 1 0 351.447 2.086 20 30 FEEDRO C#CCO[C@H](C)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C(F)(F)F ZINC000294506991 552911730 /nfs/dbraw/zinc/91/17/30/552911730.db2.gz FVQSLMKWYZGMSZ-CYBMUJFWSA-N 1 0 369.387 2.434 20 30 FEEDRO C[C@@H]([N@H+](C)CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)C(C)(C)O ZINC000295123357 552961194 /nfs/dbraw/zinc/96/11/94/552961194.db2.gz JBDWKAWPFGWWBC-CYBMUJFWSA-N 1 0 356.388 2.264 20 30 FEEDRO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C(=O)c2cccc(C#N)c2)CC1 ZINC000501988722 561609551 /nfs/dbraw/zinc/60/95/51/561609551.db2.gz XEACLFDIRQFCPU-UHFFFAOYSA-N 1 0 370.497 2.114 20 30 FEEDRO CC(C)(C[C@@H]1CCCN([C@H]2CCN(c3sccc3C#N)C2=O)C1)C(N)=O ZINC000295468648 553011461 /nfs/dbraw/zinc/01/14/61/553011461.db2.gz GABJCQCCBSYOFZ-ZFWWWQNUSA-N 1 0 374.510 2.339 20 30 FEEDRO C=CCc1cc(C(=O)N[C@H]2CCC[N@H+](CCCO)C2)cc(OC)c1OC ZINC000295581070 553028245 /nfs/dbraw/zinc/02/82/45/553028245.db2.gz VRRPFZAXDUHTFR-KRWDZBQOSA-N 1 0 362.470 2.009 20 30 FEEDRO CC1(C)C[C@@H](O)CCN(CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1 ZINC000295988642 553085457 /nfs/dbraw/zinc/08/54/57/553085457.db2.gz JTEZQOKOPLGFDI-KRWDZBQOSA-N 1 0 367.453 2.165 20 30 FEEDRO N#Cc1ccc(NC(=O)C(=O)NC2CC[NH+](C3CCC3)CC2)c(Cl)c1 ZINC000296143342 553111384 /nfs/dbraw/zinc/11/13/84/553111384.db2.gz JWAPZUJPQBQXCT-UHFFFAOYSA-N 1 0 360.845 2.283 20 30 FEEDRO C#CCOc1ccc(CNC(=O)NC2CC[NH+](CCOC(C)C)CC2)cc1 ZINC000297027578 553244068 /nfs/dbraw/zinc/24/40/68/553244068.db2.gz LVFILAPXAYRGSA-UHFFFAOYSA-N 1 0 373.497 2.387 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)N[C@H]1c2ccccc2CC12CCOCC2 ZINC000297256309 553270051 /nfs/dbraw/zinc/27/00/51/553270051.db2.gz YRSGDVIHBWCLBQ-IBGZPJMESA-N 1 0 355.482 2.335 20 30 FEEDRO COc1ccc([C@H]2CCN(C(=O)c3ccc(C#N)c(C)n3)C[C@H]2[NH3+])cc1F ZINC000297263108 553270673 /nfs/dbraw/zinc/27/06/73/553270673.db2.gz RVBKZRATIZXZFL-NVXWUHKLSA-N 1 0 368.412 2.366 20 30 FEEDRO N#Cc1cccc(N2CC[NH+](CCC(=O)N3CCc4ccccc43)CC2)n1 ZINC000503162558 561635573 /nfs/dbraw/zinc/63/55/73/561635573.db2.gz VMHHIGGMVKQELU-UHFFFAOYSA-N 1 0 361.449 2.055 20 30 FEEDRO C[N@H+]1CC=C(CNC(=O)C(=O)Nc2sc(C(C)(C)C)cc2C#N)CC1 ZINC000297563143 553309446 /nfs/dbraw/zinc/30/94/46/553309446.db2.gz YAYIGLLAKRJKCC-UHFFFAOYSA-N 1 0 360.483 2.234 20 30 FEEDRO CC(C)[C@@](C)([NH2+]CC(=O)N(CCC#N)c1cccc(Cl)c1)C(N)=O ZINC000297688855 553325197 /nfs/dbraw/zinc/32/51/97/553325197.db2.gz PTAXWICGPSPNHF-QGZVFWFLSA-N 1 0 350.850 2.076 20 30 FEEDRO C=C(C)CN(Cc1ccccc1)C(=O)C(=O)N1CC[C@H](C[N@@H+](C)CC)C1 ZINC000298131835 553388283 /nfs/dbraw/zinc/38/82/83/553388283.db2.gz XIRTXGIJWZZIBU-LJQANCHMSA-N 1 0 357.498 2.392 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1ccc(CNC(N)=O)cc1)C(C)C ZINC000298521696 553435590 /nfs/dbraw/zinc/43/55/90/553435590.db2.gz VGNDCIHXRXTPFH-SFHVURJKSA-N 1 0 358.486 2.283 20 30 FEEDRO N#Cc1ccc(NC(=O)CC[NH2+][C@H]2CCC(=O)NC23CCC3)cc1Cl ZINC000298524872 553435984 /nfs/dbraw/zinc/43/59/84/553435984.db2.gz LSSDWTUWEPDWMV-HNNXBMFYSA-N 1 0 360.845 2.331 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)NCc1cccc(C(N)=O)c1)C(C)C ZINC000298678026 553457999 /nfs/dbraw/zinc/45/79/99/553457999.db2.gz POTWXHUQWOFLBE-SFHVURJKSA-N 1 0 358.486 2.283 20 30 FEEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N1CCC([NH2+]C(C)C)CC1 ZINC000298711190 553462307 /nfs/dbraw/zinc/46/23/07/553462307.db2.gz ZRAOSNUTBNWTMD-UHFFFAOYSA-N 1 0 373.497 2.199 20 30 FEEDRO C=CCCN(C)C(=O)C(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000298721586 553463869 /nfs/dbraw/zinc/46/38/69/553463869.db2.gz OKPVZBXMARGBPX-UHFFFAOYSA-N 1 0 357.498 2.188 20 30 FEEDRO COc1cc(C[N@H+](C)C[C@H](O)COc2ccc(C#N)cc2)cc(OC)c1 ZINC000299129814 553519266 /nfs/dbraw/zinc/51/92/66/553519266.db2.gz KYGZFPYSTZPUCO-KRWDZBQOSA-N 1 0 356.422 2.447 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)NCc2ccc(N3CCC(C)CC3)nc2)CC1 ZINC000299132619 553519519 /nfs/dbraw/zinc/51/95/19/553519519.db2.gz FDEJTXHANMOHQQ-UHFFFAOYSA-N 1 0 354.498 2.279 20 30 FEEDRO CCCCNC(=O)[C@H]1CC[C@H](C)[N@H+](CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000299142857 553520770 /nfs/dbraw/zinc/52/07/70/553520770.db2.gz AEBGAVJRWFTXQE-LPHOPBHVSA-N 1 0 370.497 2.191 20 30 FEEDRO C=CCN(CCc1ccccc1)C(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000299183751 553526663 /nfs/dbraw/zinc/52/66/63/553526663.db2.gz QGZSJACGPRVRMT-UXHICEINSA-N 1 0 369.509 2.186 20 30 FEEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CN2CCC[N@@H+](C)CC2)c1C#N ZINC000299261836 553538686 /nfs/dbraw/zinc/53/86/86/553538686.db2.gz CMSLIJHCVQJLRV-UHFFFAOYSA-N 1 0 369.469 2.194 20 30 FEEDRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)CSCC#N)CC1 ZINC000299562315 553581633 /nfs/dbraw/zinc/58/16/33/553581633.db2.gz VSYWXZYPDYORIV-AWEZNQCLSA-N 1 0 364.490 2.402 20 30 FEEDRO N#Cc1ccc(CN2CCN(C(=O)N[C@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000504303838 561655978 /nfs/dbraw/zinc/65/59/78/561655978.db2.gz VSPNLOIRQSZWPO-PMACEKPBSA-N 1 0 367.497 2.012 20 30 FEEDRO CCC[N@H+](CC)CCNC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000504434815 561658269 /nfs/dbraw/zinc/65/82/69/561658269.db2.gz OVBXAIUTHAAYQA-GOSISDBHSA-N 1 0 371.485 2.085 20 30 FEEDRO CCc1ccc([C@@H](CNc2ccc(S(N)(=O)=O)cc2C#N)[NH+](C)C)cc1 ZINC000301208598 553631397 /nfs/dbraw/zinc/63/13/97/553631397.db2.gz SCIHMLNHLVDVGG-LJQANCHMSA-N 1 0 372.494 2.483 20 30 FEEDRO N#Cc1cc(C(F)(F)F)ccc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000301637163 553667861 /nfs/dbraw/zinc/66/78/61/553667861.db2.gz XEGHNIODROHXHZ-UHFFFAOYSA-N 1 0 366.387 2.321 20 30 FEEDRO N#Cc1ccnc(NCCN2CC[NH+](Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000301647639 553668220 /nfs/dbraw/zinc/66/82/20/553668220.db2.gz OKVKKWACFPWTKD-UHFFFAOYSA-N 1 0 366.425 2.091 20 30 FEEDRO CCOc1ccc(C#N)cc1NC(=O)C(=O)N(C)CC[NH+](C(C)C)C(C)C ZINC000505342121 561669898 /nfs/dbraw/zinc/66/98/98/561669898.db2.gz JBADYOQDXYNQKH-UHFFFAOYSA-N 1 0 374.485 2.473 20 30 FEEDRO [NH2+]=C(NCC[S@](=O)Cc1ccccc1)N[C@@H]1CCOc2ccccc21 ZINC000304756561 553747377 /nfs/dbraw/zinc/74/73/77/553747377.db2.gz NUCSJOJBTRJKPF-NSYGIPOTSA-N 1 0 357.479 2.363 20 30 FEEDRO CC[NH+]1CCN([C@H](C)CNc2cc(C#N)c(Br)cn2)CC1 ZINC000603285237 553754156 /nfs/dbraw/zinc/75/41/56/553754156.db2.gz YGTLZQZTKUQATE-GFCCVEGCSA-N 1 0 352.280 2.154 20 30 FEEDRO N#CC1(C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)CCOCC1 ZINC000312071127 553756049 /nfs/dbraw/zinc/75/60/49/553756049.db2.gz NPEKDNGWUJPOOY-RBUKOAKNSA-N 1 0 353.466 2.287 20 30 FEEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH2+]C(C)(C)C(C)(C)O ZINC000505610106 561675380 /nfs/dbraw/zinc/67/53/80/561675380.db2.gz MGSIDZHSTUPLSQ-UHFFFAOYSA-N 1 0 364.490 2.091 20 30 FEEDRO C[N@@H+]1CCN(CCNc2cc(C#N)c(Br)cn2)CC1(C)C ZINC000603369007 553773478 /nfs/dbraw/zinc/77/34/78/553773478.db2.gz FTYAYAKOINVSNC-UHFFFAOYSA-N 1 0 352.280 2.154 20 30 FEEDRO N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000327624614 553790082 /nfs/dbraw/zinc/79/00/82/553790082.db2.gz OCLYEGPCMKHZPN-HOCLYGCPSA-N 1 0 358.360 2.077 20 30 FEEDRO CC[NH+](CC)[C@H](CNS(=O)(=O)c1cncc(C#N)c1)c1ccccc1 ZINC000327705211 553791186 /nfs/dbraw/zinc/79/11/86/553791186.db2.gz PEZGFDYIQQMGQU-GOSISDBHSA-N 1 0 358.467 2.315 20 30 FEEDRO CC1CC[NH+](C2CCC(NC(=O)NC[C@H](O)C3CCOCC3)CC2)CC1 ZINC000328645291 553801155 /nfs/dbraw/zinc/80/11/55/553801155.db2.gz GIGXNJZVXCYYBS-ACBHZAAOSA-N 1 0 367.534 2.321 20 30 FEEDRO C[NH+](C)C1CCN(C(=O)CC2CCN(C(=O)C3(C#N)CCCC3)CC2)CC1 ZINC000328663498 553804069 /nfs/dbraw/zinc/80/40/69/553804069.db2.gz BHPBCDIYDPJELE-UHFFFAOYSA-N 1 0 374.529 2.252 20 30 FEEDRO CCC1(CNC(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)CCOCC1 ZINC000328664230 553804451 /nfs/dbraw/zinc/80/44/51/553804451.db2.gz BLCAKVJYXQTARQ-QGZVFWFLSA-N 1 0 353.507 2.151 20 30 FEEDRO C[C@H](CNC(=O)NC[C@@H]1CCC2(CCOCC2)[C@@H]1O)[N@@H+]1CCC[C@@H](C)C1 ZINC000328682417 553806878 /nfs/dbraw/zinc/80/68/78/553806878.db2.gz DAERPMVMWWUKTG-ZJPYXAASSA-N 1 0 367.534 2.178 20 30 FEEDRO O=C(CNC(=O)C1CCCCC1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000328704947 553809824 /nfs/dbraw/zinc/80/98/24/553809824.db2.gz KVHGTYOSBFQMPS-INIZCTEOSA-N 1 0 351.491 2.094 20 30 FEEDRO C[C@@H](CNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)C[NH+]1CCCCC1 ZINC000505793596 561681025 /nfs/dbraw/zinc/68/10/25/561681025.db2.gz VSOVHSNCVDMPSF-HNAYVOBHSA-N 1 0 351.491 2.486 20 30 FEEDRO Cc1csc([C@@H]2CN(C(=O)NCC[N@H+]3CCC[C@H](C)C3)CCO2)n1 ZINC000328787360 553822266 /nfs/dbraw/zinc/82/22/66/553822266.db2.gz JLVCHHSBFDTYKE-ZFWWWQNUSA-N 1 0 352.504 2.471 20 30 FEEDRO CC(C)C[NH+]1CCC(NC(=O)[C@@H]2CC(=O)N(C)[C@H]2c2ccnn2C)CC1 ZINC000328793911 553823503 /nfs/dbraw/zinc/82/35/03/553823503.db2.gz BEQQFIFKINMFCS-CRAIPNDOSA-N 1 0 361.490 2.016 20 30 FEEDRO Cc1cn2c(n1)[C@H](CNC(=O)CN1C(=O)[C@@H]3CCCC[C@H]3C1=O)CCC2 ZINC000328836204 553830252 /nfs/dbraw/zinc/83/02/52/553830252.db2.gz SMVXEBJFXJSMSA-RRFJBIMHSA-N 1 0 358.442 2.201 20 30 FEEDRO CN1C(=O)NC2(CC[NH+](CC(=O)NC34CC5CC(CC(C5)C3)C4)CC2)C1=O ZINC000328881346 553837914 /nfs/dbraw/zinc/83/79/14/553837914.db2.gz MGNJDFCOMXSPEF-UHFFFAOYSA-N 1 0 374.485 2.132 20 30 FEEDRO CCC(=O)N1CSC[C@@H]1C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000328939939 553849881 /nfs/dbraw/zinc/84/98/81/553849881.db2.gz KPHVADWBDJEGJH-BZUAXINKSA-N 1 0 369.531 2.022 20 30 FEEDRO C[C@H](NC(=O)C1(S(C)(=O)=O)CCOCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000328946282 553850987 /nfs/dbraw/zinc/85/09/87/553850987.db2.gz GNAGONPWUQLLSJ-LSDHHAIUSA-N 1 0 372.531 2.190 20 30 FEEDRO C[NH+](C)C1(CNC(=O)N2CCOC[C@@H]2[C@@H]2CCC[C@H]2O)CCCCC1 ZINC000328954729 553852605 /nfs/dbraw/zinc/85/26/05/553852605.db2.gz IQBNHHIEUVREGO-GVDBMIGSSA-N 1 0 353.507 2.027 20 30 FEEDRO C[C@H]1OCC(=O)N(Cc2ccccc2)[C@@H]1C(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000328981361 553858131 /nfs/dbraw/zinc/85/81/31/553858131.db2.gz DOWWAEYGMFWVBR-QKLQHJQFSA-N 1 0 373.497 2.491 20 30 FEEDRO C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)NC1CC[NH+](C3CC3)CC1)C2=O ZINC000329004895 553862523 /nfs/dbraw/zinc/86/25/23/553862523.db2.gz YLTBKOIPMOQWMG-YJYMSZOUSA-N 1 0 362.474 2.275 20 30 FEEDRO C[N@@H+]1CC[C@@H]2OCCN(CC(=O)NCc3ccc(OC(F)F)cc3)[C@@H]2C1 ZINC000329024140 553866708 /nfs/dbraw/zinc/86/67/08/553866708.db2.gz NDTBZJQPKRDLLE-CVEARBPZSA-N 1 0 369.412 2.149 20 30 FEEDRO C[NH+]1CCC2(CCCN2C(=O)NCc2ccnc(-n3cccn3)c2)CC1 ZINC000329029473 553867938 /nfs/dbraw/zinc/86/79/38/553867938.db2.gz APYGNGLFDPGXEI-UHFFFAOYSA-N 1 0 354.458 2.242 20 30 FEEDRO CO[C@H]1C[C@@H](CN(C)CC(=O)NC(=O)N[C@@H]2CCCC[C@@H]2C)[N@H+](C)C1 ZINC000329044622 553870614 /nfs/dbraw/zinc/87/06/14/553870614.db2.gz UMBAVBGIXULXMO-YHUYYLMFSA-N 1 0 354.495 2.087 20 30 FEEDRO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)N[C@H]1CCO[C@@H]1c1nccn1C ZINC000329044792 553870718 /nfs/dbraw/zinc/87/07/18/553870718.db2.gz JFSADGJVXQINRA-ULQDDVLXSA-N 1 0 363.506 2.264 20 30 FEEDRO C[C@@H]1CN(CC(=O)Nc2nc(CN3CCCC3)cs2)C[C@H]1[NH+](C)C ZINC000329132567 553886603 /nfs/dbraw/zinc/88/66/03/553886603.db2.gz ATKYIGKTOVONHL-UKRRQHHQSA-N 1 0 351.520 2.209 20 30 FEEDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCOC[C@H]1c1c(C)nn(C)c1C ZINC000329141128 553888088 /nfs/dbraw/zinc/88/80/88/553888088.db2.gz KAENQPLPTQWIMK-SJORKVTESA-N 1 0 363.506 2.199 20 30 FEEDRO C[C@H](NC(=O)NC1CC[NH+](Cc2ccccc2)CC1)c1nnc2n1CCC2 ZINC000329147571 553889132 /nfs/dbraw/zinc/88/91/32/553889132.db2.gz AXLXWWJACDGNCE-HNNXBMFYSA-N 1 0 368.485 2.454 20 30 FEEDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCOC[C@@H]1[C@@H]1CCC[C@H]1OC ZINC000329151077 553890119 /nfs/dbraw/zinc/89/01/19/553890119.db2.gz ZWXFWRIMIYHVRW-XMTFNYHQSA-N 1 0 353.507 2.291 20 30 FEEDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]CC(=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000329166587 553893408 /nfs/dbraw/zinc/89/34/08/553893408.db2.gz HXDXXTGYLMVDEL-ZBFHGGJFSA-N 1 0 354.454 2.397 20 30 FEEDRO CC(C)[NH2+]C1CCN(C(=O)N[C@H]2CC(=O)N(C3CCCCC3)C2)CC1 ZINC000329169161 553894154 /nfs/dbraw/zinc/89/41/54/553894154.db2.gz JKRFNOQYPWPCRH-INIZCTEOSA-N 1 0 350.507 2.296 20 30 FEEDRO CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)N[C@H]2CCOC3(CCC3)C2)C1 ZINC000329193072 553899246 /nfs/dbraw/zinc/89/92/46/553899246.db2.gz RHZXURUCRBTGJS-ULQDDVLXSA-N 1 0 351.491 2.187 20 30 FEEDRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N[C@@H]1CCO[C@@]2(CCOC2)C1 ZINC000329212946 553903933 /nfs/dbraw/zinc/90/39/33/553903933.db2.gz IRDXATKENWDPGH-POAQFYNOSA-N 1 0 361.486 2.349 20 30 FEEDRO C[C@H]1C[N@H+](C)CCN1CC(=O)NCc1ccc(C(=O)N2CCCC2)cc1 ZINC000329221508 553905443 /nfs/dbraw/zinc/90/54/43/553905443.db2.gz UXOMIJLUBCCHTH-INIZCTEOSA-N 1 0 358.486 2.015 20 30 FEEDRO Cc1cc(C)n(-c2ccc(NC(=O)NC[C@@H]3C[N@@H+](C)CCN3C)cc2F)n1 ZINC000329239284 553908919 /nfs/dbraw/zinc/90/89/19/553908919.db2.gz QFHUUJKZSCMDRN-MRXNPFEDSA-N 1 0 374.464 2.200 20 30 FEEDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)N[C@@H](c1cnn(C)c1)C(F)(F)F ZINC000329254386 553911541 /nfs/dbraw/zinc/91/15/41/553911541.db2.gz WVIRDVDDUHGBIE-XBFCOCLRSA-N 1 0 359.396 2.496 20 30 FEEDRO CC(=O)Nc1ncc(S(=O)(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)s1 ZINC000329278940 553916316 /nfs/dbraw/zinc/91/63/16/553916316.db2.gz MGHUNJPCZSMXFB-CYBMUJFWSA-N 1 0 372.516 2.390 20 30 FEEDRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)N1CCC(c2nnc3ccccn32)CC1 ZINC000329286035 553917684 /nfs/dbraw/zinc/91/76/84/553917684.db2.gz GQMSTQBCASSJQT-OAHLLOKOSA-N 1 0 354.458 2.059 20 30 FEEDRO C[C@H](NC(=O)N[C@@H]1CCc2nc(C(C)(C)C)cn2C1)C(=O)N1CCCC1 ZINC000329289713 553918290 /nfs/dbraw/zinc/91/82/90/553918290.db2.gz AGNGOYPQVHXIBO-UONOGXRCSA-N 1 0 361.490 2.010 20 30 FEEDRO CC(C)N(CC(=O)N1CCCCCC1)C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000329296672 553919640 /nfs/dbraw/zinc/91/96/40/553919640.db2.gz SZQAZYHOAGPSBI-SJORKVTESA-N 1 0 352.523 2.496 20 30 FEEDRO CCC[NH+]1CCC(NC(=O)[C@@H]2CCC(=O)N(C)[C@@H]2c2cnn(C)c2)CC1 ZINC000329299823 553920137 /nfs/dbraw/zinc/92/01/37/553920137.db2.gz MDWDHZDAQBGDAI-SJLPKXTDSA-N 1 0 361.490 2.161 20 30 FEEDRO CCC[NH+]1CCC(NC(=O)[C@@H]2CCC(=O)N(C)[C@H]2c2cnn(C)c2)CC1 ZINC000329299822 553920279 /nfs/dbraw/zinc/92/02/79/553920279.db2.gz MDWDHZDAQBGDAI-AEFFLSMTSA-N 1 0 361.490 2.161 20 30 FEEDRO O=C(NCC1([NH+]2CCCC2)CCOCC1)[C@@H]1COCCN1C1CCCC1 ZINC000329306300 553921923 /nfs/dbraw/zinc/92/19/23/553921923.db2.gz YPSADNRPLOMYLM-SFHVURJKSA-N 1 0 365.518 2.231 20 30 FEEDRO CCc1nc2n(n1)C[C@H]([NH+]=C([O-])N1CCC([NH+]3CCCCC3)CC1)CC2 ZINC000329310241 553922588 /nfs/dbraw/zinc/92/25/88/553922588.db2.gz QTERMZWMLMLBKY-OAHLLOKOSA-N 1 0 360.506 2.020 20 30 FEEDRO CN1CC[C@@H]([NH+]2CCC(NC(=O)c3cnc4ccc(F)cc4c3)CC2)C1=O ZINC000329311354 553923078 /nfs/dbraw/zinc/92/30/78/553923078.db2.gz COERWJZILLDHSO-GOSISDBHSA-N 1 0 370.428 2.374 20 30 FEEDRO CN(C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C)[C@@H]1CCSC1 ZINC000329317514 553923841 /nfs/dbraw/zinc/92/38/41/553923841.db2.gz HWLYGYKJESGMDO-SQWLQELKSA-N 1 0 351.520 2.154 20 30 FEEDRO Cc1nc([C@@H]2CN(C(=O)NCC(C)(C)[N@@H+]3CCC[C@@H](C)C3)CCO2)no1 ZINC000329318005 553924108 /nfs/dbraw/zinc/92/41/08/553924108.db2.gz HZIOGMJLWCQDRP-HIFRSBDPSA-N 1 0 365.478 2.176 20 30 FEEDRO Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000329383605 553935313 /nfs/dbraw/zinc/93/53/13/553935313.db2.gz RFCXQZZWBZCKMB-GOSISDBHSA-N 1 0 373.476 2.373 20 30 FEEDRO CN1CCO[C@@H]2CN(C(=O)N[C@@H]3CCO[C@@H]3c3ccc(Cl)cc3)C[C@@H]21 ZINC000329401310 553939494 /nfs/dbraw/zinc/93/94/94/553939494.db2.gz WDIIUGSCWGMZNU-YYIAUSFCSA-N 1 0 365.861 2.099 20 30 FEEDRO N#CC1(F)CCN(C(=O)C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)CC1 ZINC000506620549 561704109 /nfs/dbraw/zinc/70/41/09/561704109.db2.gz IWFYMVYKEZESGN-UHFFFAOYSA-N 1 0 372.444 2.118 20 30 FEEDRO Cc1nccc(N2CCN(C(=O)NC[C@@H]3CCCC[N@H+]3CC(C)C)CC2)n1 ZINC000329442259 553948098 /nfs/dbraw/zinc/94/80/98/553948098.db2.gz BQHXIDLTXDOBFV-SFHVURJKSA-N 1 0 374.533 2.332 20 30 FEEDRO COc1ccc(NC(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)cc1N1CCCC1=O ZINC000329471331 553952607 /nfs/dbraw/zinc/95/26/07/553952607.db2.gz ZLTQJORQQIUDFB-PBHICJAKSA-N 1 0 372.469 2.394 20 30 FEEDRO CC(C)(C)N1C[C@H](C(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)CC1=O ZINC000329477278 553953632 /nfs/dbraw/zinc/95/36/32/553953632.db2.gz UKGGYQKOCKFZRB-QZTJIDSGSA-N 1 0 373.497 2.357 20 30 FEEDRO CCO[C@@H]1C[C@H](NC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)[C@@]12CCCO2 ZINC000329521282 553961523 /nfs/dbraw/zinc/96/15/23/553961523.db2.gz OUAGNULJMPKZEE-BMFAXAFESA-N 1 0 351.491 2.187 20 30 FEEDRO CCO[C@@H]1C[C@H](NC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2CC)[C@@]12CCCO2 ZINC000329527782 553962310 /nfs/dbraw/zinc/96/23/10/553962310.db2.gz SGNAHJJHWJZMQZ-CWLGOENISA-N 1 0 351.491 2.186 20 30 FEEDRO O=C(NCC1([NH+]2CCCCC2)CCOCC1)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC000329537890 553963926 /nfs/dbraw/zinc/96/39/26/553963926.db2.gz VDBIJDRFRXQZBD-YESZJQIVSA-N 1 0 352.475 2.030 20 30 FEEDRO CC[C@H](C(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1)[N@H+](C)Cc1ccccc1 ZINC000329540328 553964228 /nfs/dbraw/zinc/96/42/28/553964228.db2.gz WMKKHKMOSRNOQP-IAGOWNOFSA-N 1 0 367.515 2.278 20 30 FEEDRO Cc1ccc(N2CCC[C@H](NC(=O)NC[C@H](C)C[NH+]3CCCCC3)C2)nn1 ZINC000329562035 553967789 /nfs/dbraw/zinc/96/77/89/553967789.db2.gz GJPPWYJDXXYJQJ-WMZOPIPTSA-N 1 0 374.533 2.379 20 30 FEEDRO Cn1cc(NC(=O)N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)c(C2CC2)n1 ZINC000329601847 553974784 /nfs/dbraw/zinc/97/47/84/553974784.db2.gz FKLHKQPTXYCORB-UHFFFAOYSA-N 1 0 374.533 2.193 20 30 FEEDRO O=C(NC[C@@H]1CCCCS1(=O)=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000329657781 553983585 /nfs/dbraw/zinc/98/35/85/553983585.db2.gz NIQNILAQKMLNAL-KRWDZBQOSA-N 1 0 371.547 2.112 20 30 FEEDRO Cc1ccc(N2CCC[C@H](NC(=O)NC[C@H](C)[NH+]3CCC(C)CC3)C2)nn1 ZINC000329658862 553984122 /nfs/dbraw/zinc/98/41/22/553984122.db2.gz HKCJLBDUFDEMLG-ROUUACIJSA-N 1 0 374.533 2.378 20 30 FEEDRO C[C@@H]1C[C@H](NC(=O)CN2C(=O)Cn3c(cc4ccccc43)C2=O)CC[N@@H+]1C ZINC000329721294 553995334 /nfs/dbraw/zinc/99/53/34/553995334.db2.gz NBFJWYFOFNIFKA-UKRRQHHQSA-N 1 0 368.437 2.063 20 30 FEEDRO COCCn1cc2c(n1)[C@H](NC(=O)N[C@@H]1CC[N@@H+]3CCCC[C@@H]13)CCC2 ZINC000329725542 553995989 /nfs/dbraw/zinc/99/59/89/553995989.db2.gz BYJIKYMZKZZPCH-ZACQAIPSSA-N 1 0 361.490 2.037 20 30 FEEDRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NCC2(C)CCCCC2)CC1 ZINC000329746892 553998964 /nfs/dbraw/zinc/99/89/64/553998964.db2.gz SBGAWQIXRJDGLI-INIZCTEOSA-N 1 0 350.507 2.109 20 30 FEEDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N[C@H]1CCc2nc(C(C)(C)C)cn2C1 ZINC000329786188 554005358 /nfs/dbraw/zinc/00/53/58/554005358.db2.gz XPZUIPVZELQCBI-YCPHGPKFSA-N 1 0 359.518 2.482 20 30 FEEDRO Cc1ccc(CNC(=O)NCC2([NH+]3CCCCC3)CCN(C)CC2)cn1 ZINC000329802653 554008426 /nfs/dbraw/zinc/00/84/26/554008426.db2.gz JIWXQBOCVCJRMV-UHFFFAOYSA-N 1 0 359.518 2.344 20 30 FEEDRO Cc1ccc(N(C)C2CCN(C(=O)N[C@@H]3CC[N@H+](C)[C@H](C)C3)CC2)nn1 ZINC000329804770 554009009 /nfs/dbraw/zinc/00/90/09/554009009.db2.gz MJBLXYHIVHSDBA-HZPDHXFCSA-N 1 0 360.506 2.082 20 30 FEEDRO C[C@H](C[C@H]1CCCO1)NC(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000329806475 554009249 /nfs/dbraw/zinc/00/92/49/554009249.db2.gz NYGCCKUZETZKND-QZTJIDSGSA-N 1 0 366.550 2.398 20 30 FEEDRO O=C(NCC1([NH+]2CCSCC2)CCCC1)[C@@H]1OC[C@@H]2COCC[C@@H]12 ZINC000329825598 554012843 /nfs/dbraw/zinc/01/28/43/554012843.db2.gz IESYCSFMWHYUTE-ARFHVFGLSA-N 1 0 354.516 2.356 20 30 FEEDRO CCc1nc(C)c([C@H](C)N(C)C(=O)NC[C@@H]2C[N@H+](C)CCN2C)s1 ZINC000329824418 554012883 /nfs/dbraw/zinc/01/28/83/554012883.db2.gz ZYKNRLLLITXMOV-UONOGXRCSA-N 1 0 353.536 2.167 20 30 FEEDRO O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)N[C@@H]1CCc2c[nH]nc2C1 ZINC000329840077 554016374 /nfs/dbraw/zinc/01/63/74/554016374.db2.gz OANIXIRJEYBQJB-MSOLQXFVSA-N 1 0 353.470 2.435 20 30 FEEDRO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)Nc1ccc(F)c(-n2nnnc2C2CC2)c1 ZINC000329852356 554018871 /nfs/dbraw/zinc/01/88/71/554018871.db2.gz RJWJEAOVGGYLFD-NWDGAFQWSA-N 1 0 373.436 2.249 20 30 FEEDRO C[C@@H]1[C@H](C)N(C(=O)Nc2ccc(F)c(-n3nnnc3C3CC3)c2)CC[N@H+]1C ZINC000329852355 554019028 /nfs/dbraw/zinc/01/90/28/554019028.db2.gz RJWJEAOVGGYLFD-NEPJUHHUSA-N 1 0 373.436 2.249 20 30 FEEDRO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)Nc1c(-c2cnn(C)c2)nc2ccccn21 ZINC000329859402 554020141 /nfs/dbraw/zinc/02/01/41/554020141.db2.gz WPZKSOZXFMUQCT-UONOGXRCSA-N 1 0 367.457 2.305 20 30 FEEDRO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CCN(CC(=O)NC2CCCCC2)CC1 ZINC000329870708 554022551 /nfs/dbraw/zinc/02/25/51/554022551.db2.gz BWCOFCOOBWEYHD-CALCHBBNSA-N 1 0 364.534 2.293 20 30 FEEDRO CC(C)c1nnc([C@H]2CN(C(=O)N[C@H](C)C[NH+]3CCCCC3)CCO2)o1 ZINC000329921693 554032417 /nfs/dbraw/zinc/03/24/17/554032417.db2.gz STEFDBUMIQRFOU-HUUCEWRRSA-N 1 0 365.478 2.355 20 30 FEEDRO CCC[N@@H+]1CCC[C@@H]1C(=O)Nc1cnn(Cc2nnc3n2CCCC3)c1 ZINC000329957477 554039016 /nfs/dbraw/zinc/03/90/16/554039016.db2.gz PLZXPZURNJZMPA-OAHLLOKOSA-N 1 0 357.462 2.322 20 30 FEEDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1C[C@H](C)O[C@]2(CCOC2)C1 ZINC000329965077 554040364 /nfs/dbraw/zinc/04/03/64/554040364.db2.gz QXOSPESUDMBNRI-CNMWIUBYSA-N 1 0 353.507 2.147 20 30 FEEDRO NC(=O)NC[C@@H]1CCCN(C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000329983855 554043981 /nfs/dbraw/zinc/04/39/81/554043981.db2.gz PYJRAVUIJGXSNL-ZWKOTPCHSA-N 1 0 373.501 2.217 20 30 FEEDRO C[C@H](CNC(=O)N1C[C@@]2(CCOC2)OC(C)(C)C1)C[NH+]1CCCCC1 ZINC000329996415 554046142 /nfs/dbraw/zinc/04/61/42/554046142.db2.gz OVVRVADXYMSMMS-VQIMIIECSA-N 1 0 353.507 2.292 20 30 FEEDRO CC(=O)N1CCC[C@H](CNC(=O)N2CCC([NH+]3CCCCC3)CC2)C1 ZINC000329996331 554046155 /nfs/dbraw/zinc/04/61/55/554046155.db2.gz OQXXTWNLDQWPQW-QGZVFWFLSA-N 1 0 350.507 2.109 20 30 FEEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C2CCN(c3oc(C)nc3C#N)CC2)C[C@@H]1C ZINC000330008911 554048399 /nfs/dbraw/zinc/04/83/99/554048399.db2.gz GZCWHMNGDWGNAC-WMLDXEAASA-N 1 0 373.501 2.402 20 30 FEEDRO CN(C)c1ncn(-c2cccc(NC(=O)NC3CC[NH+](C4CC4)CC3)c2)n1 ZINC000330015039 554049485 /nfs/dbraw/zinc/04/94/85/554049485.db2.gz NMFRBFYSHYRYFF-UHFFFAOYSA-N 1 0 369.473 2.286 20 30 FEEDRO COCC[NH+]1CCC(Nc2nc3c(c(C#N)c2C#N)CCCCCC3)CC1 ZINC000330033347 554052444 /nfs/dbraw/zinc/05/24/44/554052444.db2.gz AEFHVOLIGQRJAT-UHFFFAOYSA-N 1 0 367.497 3.007 20 30 FEEDRO C[NH+](C)C1(CNC(=O)N2CCC(N3CCCCC3=O)CC2)CCCC1 ZINC000330070470 554058797 /nfs/dbraw/zinc/05/87/97/554058797.db2.gz XBXKQXDWHMELBH-UHFFFAOYSA-N 1 0 350.507 2.252 20 30 FEEDRO C[NH+](C)[C@]1(CNC(=O)[C@H]2CSCN2C(=O)C2CCCC2)CCSC1 ZINC000330071160 554059171 /nfs/dbraw/zinc/05/91/71/554059171.db2.gz IRVBETVEHKGXHY-PBHICJAKSA-N 1 0 371.572 2.472 20 30 FEEDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1CC(=O)Nc1ccc2c(c1)OCO2 ZINC000330170682 554077792 /nfs/dbraw/zinc/07/77/92/554077792.db2.gz BVCUPUFRKZVVTL-AWEZNQCLSA-N 1 0 361.442 2.188 20 30 FEEDRO O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)N1CCOC[C@@H](C2CCC2)C1 ZINC000330178554 554079542 /nfs/dbraw/zinc/07/95/42/554079542.db2.gz LRJKPIHVLNZEJS-WMZOPIPTSA-N 1 0 365.518 2.150 20 30 FEEDRO CC(C)CO[C@@H]1CCN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)C1 ZINC000330236011 554090438 /nfs/dbraw/zinc/09/04/38/554090438.db2.gz UEHRYXNVVWGFTA-KZNAEPCWSA-N 1 0 353.507 2.025 20 30 FEEDRO O=C(CCNC(=O)[C@H]1CCC[N@@H+]1C1CC1)N1CCN(c2ccccc2)CC1 ZINC000330271705 554097066 /nfs/dbraw/zinc/09/70/66/554097066.db2.gz WIGGFXCHAHIYOM-LJQANCHMSA-N 1 0 370.497 2.309 20 30 FEEDRO COCCn1cc([C@H]2OCC[C@@H]2C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)cn1 ZINC000330283049 554098963 /nfs/dbraw/zinc/09/89/63/554098963.db2.gz BBXXDGILAPQRKS-MXASKKJJSA-N 1 0 350.463 2.046 20 30 FEEDRO Cc1c([C@H]2OCC[C@@H]2NC(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)cnn1C ZINC000330327737 554105897 /nfs/dbraw/zinc/10/58/97/554105897.db2.gz LDNRHABMANBZBT-IHETXDGRSA-N 1 0 363.506 2.183 20 30 FEEDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@H]1CCO[C@@H]1c1c(C)nn(C)c1C ZINC000330333243 554106763 /nfs/dbraw/zinc/10/67/63/554106763.db2.gz PQHKAYZHJUBAQL-RYRKJORJSA-N 1 0 363.506 2.245 20 30 FEEDRO CCN1C(=O)CC[C@H](C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)[C@H]1c1cnn(C)c1 ZINC000330353825 554110465 /nfs/dbraw/zinc/11/04/65/554110465.db2.gz OWVAQTWAWLJSAC-UCLAIMLFSA-N 1 0 373.501 2.161 20 30 FEEDRO C[C@H](C#N)CN(C)S(=O)(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000330379116 554113426 /nfs/dbraw/zinc/11/34/26/554113426.db2.gz GMWKIDVAMSKTCN-CVEARBPZSA-N 1 0 364.515 2.138 20 30 FEEDRO CC[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCC[C@H](C(=O)NC(C)C)C2)C1 ZINC000330437550 554121626 /nfs/dbraw/zinc/12/16/26/554121626.db2.gz ZFPFTMIQCLUZFV-IXDOHACOSA-N 1 0 352.523 2.305 20 30 FEEDRO CC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1cccc(Br)c1C#N ZINC000330476666 554126308 /nfs/dbraw/zinc/12/63/08/554126308.db2.gz LCLFUMVYRRFZKM-NSHDSACASA-N 1 0 372.288 2.083 20 30 FEEDRO CC(=O)Nc1ccc(NC(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@H]2C)c(Cl)c1 ZINC000330553946 554137262 /nfs/dbraw/zinc/13/72/62/554137262.db2.gz USKIQFXMJHQPED-VXGBXAGGSA-N 1 0 368.865 2.231 20 30 FEEDRO CC(C)C(=O)NC1CCN(C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC000330632265 554148537 /nfs/dbraw/zinc/14/85/37/554148537.db2.gz HSZWQRZCGVGWDW-MRXNPFEDSA-N 1 0 352.523 2.257 20 30 FEEDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(S(=O)(=O)N(C)C)oc1C ZINC000330672451 554155352 /nfs/dbraw/zinc/15/53/52/554155352.db2.gz OBBLGOZODSJVAS-ZDUSSCGKSA-N 1 0 357.476 2.017 20 30 FEEDRO CC(C)CNC(=O)NC(=O)CN1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000330771451 554169414 /nfs/dbraw/zinc/16/94/14/554169414.db2.gz CDTXONORBBLSCU-IRXDYDNUSA-N 1 0 352.523 2.259 20 30 FEEDRO CCNC(=O)NC(=O)[C@H](C)[N@H+](C)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000330833243 554176631 /nfs/dbraw/zinc/17/66/31/554176631.db2.gz HMHDPNZLFUFOOX-APHBMKBZSA-N 1 0 351.422 2.416 20 30 FEEDRO C[C@H](C[S@](C)=O)NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000330847732 554178839 /nfs/dbraw/zinc/17/88/39/554178839.db2.gz ORIIMCKPBHNZSO-FINWYRBZSA-N 1 0 351.516 2.168 20 30 FEEDRO CC(C)CNC(=O)N1CCC[C@H](CC(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000330887888 554183550 /nfs/dbraw/zinc/18/35/50/554183550.db2.gz ABHXGBVEEZOHQQ-GVDBMIGSSA-N 1 0 352.523 2.257 20 30 FEEDRO Cc1c(CS(C)(=O)=O)cccc1NC(=O)N1CC[N@@H+](C)[C@H](C)[C@H]1C ZINC000330897405 554184385 /nfs/dbraw/zinc/18/43/85/554184385.db2.gz UEUHHXSNRLWUID-ZIAGYGMSSA-N 1 0 353.488 2.110 20 30 FEEDRO C=CCOc1ccc(CNC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)cc1 ZINC000508428763 561762160 /nfs/dbraw/zinc/76/21/60/561762160.db2.gz WAUIXLXOZUCYLP-GOSISDBHSA-N 1 0 359.470 2.115 20 30 FEEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cccc(S(C)(=O)=O)c2)C[C@H]1C ZINC000331096592 554211731 /nfs/dbraw/zinc/21/17/31/554211731.db2.gz AMGUWQPHOAINFQ-HIFRSBDPSA-N 1 0 353.488 2.440 20 30 FEEDRO CC(C)CC(=O)N1CCC(NC(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000331151918 554222832 /nfs/dbraw/zinc/22/28/32/554222832.db2.gz OOSLVAYERBRRBZ-IAGOWNOFSA-N 1 0 352.523 2.400 20 30 FEEDRO COc1cc(C#N)ccc1OCC(=O)N[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000508741863 561771242 /nfs/dbraw/zinc/77/12/42/561771242.db2.gz NPAZCFPJZSRALB-XHSDSOJGSA-N 1 0 359.470 2.428 20 30 FEEDRO CC(C)C[C@@H]1C[C@H](NC(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)CCO1 ZINC000331226109 554233578 /nfs/dbraw/zinc/23/35/78/554233578.db2.gz NDNCJRRZFZLZJR-GVDBMIGSSA-N 1 0 355.523 2.271 20 30 FEEDRO CC(C)C[C@@H]1C[C@H](NC(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)CCO1 ZINC000331226108 554233620 /nfs/dbraw/zinc/23/36/20/554233620.db2.gz NDNCJRRZFZLZJR-BRWVUGGUSA-N 1 0 355.523 2.271 20 30 FEEDRO CC(C)C[C@@H]1OCCC[C@@H]1NC(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000331235518 554234733 /nfs/dbraw/zinc/23/47/33/554234733.db2.gz LTJYNJYXYSHSLX-ULQDDVLXSA-N 1 0 355.523 2.271 20 30 FEEDRO C=CCn1c(-c2cc(C)oc2C)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000508810917 561773494 /nfs/dbraw/zinc/77/34/94/561773494.db2.gz QWOCISCFRIUCMX-KRWDZBQOSA-N 1 0 371.485 2.499 20 30 FEEDRO C=CCn1c(C2CC2)nnc1N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000508833952 561774405 /nfs/dbraw/zinc/77/44/05/561774405.db2.gz RHFLQHFRZPGBRO-IAGOWNOFSA-N 1 0 358.534 2.336 20 30 FEEDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000331430487 554263044 /nfs/dbraw/zinc/26/30/44/554263044.db2.gz CDEOQBYCEJZEMU-MEBBXXQBSA-N 1 0 373.400 2.338 20 30 FEEDRO N#CCN1CCC(CNC(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)CC1 ZINC000331479566 554271497 /nfs/dbraw/zinc/27/14/97/554271497.db2.gz TVPPWPKGHZJHBE-LJQANCHMSA-N 1 0 372.488 2.389 20 30 FEEDRO CC[NH+](CC)CCCC1CCN(S(=O)(=O)N(C)[C@@H](C)CC#N)CC1 ZINC000509220431 561790832 /nfs/dbraw/zinc/79/08/32/561790832.db2.gz QICDCHPBMRHXCV-INIZCTEOSA-N 1 0 358.552 2.299 20 30 FEEDRO CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NS(=O)(=O)N(C)[C@@H](C)CC#N ZINC000509287086 561793865 /nfs/dbraw/zinc/79/38/65/561793865.db2.gz NAVWBJCPXREBPP-WMZOPIPTSA-N 1 0 366.531 2.211 20 30 FEEDRO C[NH+](C)C[C@H](NC(=O)C(=O)Nc1cccc(C#N)c1)c1ccc(F)cc1 ZINC000510016661 561822275 /nfs/dbraw/zinc/82/22/75/561822275.db2.gz ZVUUKMOJZHKLRS-KRWDZBQOSA-N 1 0 354.385 2.055 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)cc1C(F)(F)F ZINC000332302078 554420759 /nfs/dbraw/zinc/42/07/59/554420759.db2.gz KWPYXYWMAGZOJY-LSDHHAIUSA-N 1 0 373.400 2.482 20 30 FEEDRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000332515838 554460116 /nfs/dbraw/zinc/46/01/16/554460116.db2.gz AAUGWZQQQMERRN-BBRMVZONSA-N 1 0 361.877 2.041 20 30 FEEDRO Cc1cc(C#N)cc(NC(=O)N2CCC(C[NH+]3CCN(C)CC3)CC2)c1 ZINC000332536408 554466593 /nfs/dbraw/zinc/46/65/93/554466593.db2.gz ITGRTVSFLILTNP-UHFFFAOYSA-N 1 0 355.486 2.358 20 30 FEEDRO C[C@@H]1[C@H](C)N(C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)CC[N@H+]1C ZINC000332667925 554493895 /nfs/dbraw/zinc/49/38/95/554493895.db2.gz MIWCSTLUJUSJLN-OLZOCXBDSA-N 1 0 372.860 2.954 20 30 FEEDRO N#Cc1ccccc1NC(=O)CC[N@@H+]1CC[C@@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000333199521 554587835 /nfs/dbraw/zinc/58/78/35/554587835.db2.gz XGDJOSOAVZDEGH-VQIMIIECSA-N 1 0 366.465 2.362 20 30 FEEDRO CS(=O)(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C#N)cc1OC(F)F ZINC000510776635 561846215 /nfs/dbraw/zinc/84/62/15/561846215.db2.gz HWFFXJVECQBEEP-ZIAGYGMSSA-N 1 0 373.425 2.110 20 30 FEEDRO C[C@@H](NC(=O)CCC(=O)N(CCC#N)c1ccccc1)C1=CC[N@H+](C)CC1 ZINC000510803723 561847044 /nfs/dbraw/zinc/84/70/44/561847044.db2.gz LVSCBPYMVBYRAC-QGZVFWFLSA-N 1 0 368.481 2.480 20 30 FEEDRO Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+](C)[C@@H](C)C3CCCCC3)CC2)o1 ZINC000333319346 554602215 /nfs/dbraw/zinc/60/22/15/554602215.db2.gz PDEQUEDTDCARNS-HNNXBMFYSA-N 1 0 373.501 2.404 20 30 FEEDRO N#Cc1ccc(N2CCN(C(=O)NC[C@@H]3CCC[NH2+]C3)CC2)c(Cl)c1 ZINC000333748694 554638934 /nfs/dbraw/zinc/63/89/34/554638934.db2.gz YREUNHABGVCRCK-OAHLLOKOSA-N 1 0 361.877 2.043 20 30 FEEDRO C[NH+](C)C1CCN(C(=O)Cc2noc(/C=C/c3ccc(C#N)cc3)n2)CC1 ZINC000350921040 554822746 /nfs/dbraw/zinc/82/27/46/554822746.db2.gz FZSAMAGCYGCTTN-BQYQJAHWSA-N 1 0 365.437 2.207 20 30 FEEDRO N#CC[C@@H]1C[C@H]2[C@H](CCC[C@H]2[NH2+]C[C@H](O)CN2CCc3ccccc3C2)O1 ZINC000360790860 554889647 /nfs/dbraw/zinc/88/96/47/554889647.db2.gz CIYABQREDCZLMU-POHUPDAJSA-N 1 0 369.509 2.235 20 30 FEEDRO COc1cc(C#N)ccc1OCCCC(=O)N1CC[C@H]2CC[N@H+](C)[C@H]2C1 ZINC000361904450 554937756 /nfs/dbraw/zinc/93/77/56/554937756.db2.gz ACDFCIWXIAMFEG-SJORKVTESA-N 1 0 357.454 2.278 20 30 FEEDRO CCC[NH+]1CCC(N2CCN(C(=O)c3cccc(CC#N)c3)CC2)CC1 ZINC000362980922 555004996 /nfs/dbraw/zinc/00/49/96/555004996.db2.gz VLLSYNFCYJIEEP-UHFFFAOYSA-N 1 0 354.498 2.385 20 30 FEEDRO N#CCCSc1ccccc1NC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000363034001 555015086 /nfs/dbraw/zinc/01/50/86/555015086.db2.gz GGFODHBANCOCQR-CABCVRRESA-N 1 0 372.494 2.374 20 30 FEEDRO COc1ccc(C[NH2+]CCCN2C(=O)NC3(CCCCC3)C2=O)cc1C#N ZINC000363264584 555067365 /nfs/dbraw/zinc/06/73/65/555067365.db2.gz OWFKMVWJJGKPKK-UHFFFAOYSA-N 1 0 370.453 2.301 20 30 FEEDRO CCC(=O)N1CCC[C@H]1[C@@H]1CCC[N@@H+]1CC(=O)NC1(C#N)CCCCC1 ZINC000363473445 555114653 /nfs/dbraw/zinc/11/46/53/555114653.db2.gz BKTOSQJHMDNWMN-IRXDYDNUSA-N 1 0 360.502 2.194 20 30 FEEDRO N#Cc1ccccc1NC(=O)CC[N@@H+]1CCC[C@H](N2CCCCC2=O)C1 ZINC000363501096 555121960 /nfs/dbraw/zinc/12/19/60/555121960.db2.gz ULQODMFTRQVUCR-KRWDZBQOSA-N 1 0 354.454 2.364 20 30 FEEDRO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)c1cc(C#N)cn1C ZINC000363594756 555143836 /nfs/dbraw/zinc/14/38/36/555143836.db2.gz FRQHKVJQKZINAW-UHFFFAOYSA-N 1 0 371.529 2.165 20 30 FEEDRO CS[C@H]1CN(Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@H]1[NH+](C)C ZINC000363689816 555164791 /nfs/dbraw/zinc/16/47/91/555164791.db2.gz OQKIQYMRYJDMEP-MSOLQXFVSA-N 1 0 355.511 2.436 20 30 FEEDRO C=CCN=c1[nH]cc(C(=O)NC[C@H]2CCC[N@H+](Cc3cccnc3)C2)s1 ZINC000363706123 555168422 /nfs/dbraw/zinc/16/84/22/555168422.db2.gz AAMRHWJSJKYIRG-MRXNPFEDSA-N 1 0 371.510 2.778 20 30 FEEDRO COC(=O)CNC(=O)CC[NH2+][C@@H](C)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000363807754 555190475 /nfs/dbraw/zinc/19/04/75/555190475.db2.gz ZBMBQXUMUKAGKJ-LBPRGKRZSA-N 1 0 372.450 2.012 20 30 FEEDRO C=CCN(C(=O)NCc1ccnn1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000363826056 555194298 /nfs/dbraw/zinc/19/42/98/555194298.db2.gz QCXNTKYEGUCDOW-LJQANCHMSA-N 1 0 353.470 2.392 20 30 FEEDRO C=C[C@@](C)(CCOC)C(=O)NC1CC[NH+](CC2(O)CCCCC2)CC1 ZINC000364122834 555254296 /nfs/dbraw/zinc/25/42/96/555254296.db2.gz NOKTUUNCDDKKDG-IBGZPJMESA-N 1 0 352.519 2.491 20 30 FEEDRO C=CCN(C(=O)N[C@H]1CCC(=O)N(C)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000364277350 555283060 /nfs/dbraw/zinc/28/30/60/555283060.db2.gz AQXPTIYVBGYRPH-RBUKOAKNSA-N 1 0 370.497 2.079 20 30 FEEDRO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CCC[C@@H]2Cc2ccccc2)CC1 ZINC000512450304 561905601 /nfs/dbraw/zinc/90/56/01/561905601.db2.gz QRHVDDUEIOMCFL-NHCUHLMSSA-N 1 0 368.525 2.386 20 30 FEEDRO Cc1c(C#N)cccc1C(=O)N1CCN(c2ccc(C[NH+](C)C)cn2)CC1 ZINC000512681393 561912076 /nfs/dbraw/zinc/91/20/76/561912076.db2.gz VRMCSPJKUSENAB-UHFFFAOYSA-N 1 0 363.465 2.286 20 30 FEEDRO Cc1c(C#N)cccc1NC(=O)C(=O)N1CCC([NH2+]C2CCCC2)CC1 ZINC000364790277 555403343 /nfs/dbraw/zinc/40/33/43/555403343.db2.gz OWFJCYWRSSTQDG-UHFFFAOYSA-N 1 0 354.454 2.328 20 30 FEEDRO N#Cc1ccc(NC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCCCC2)cc1 ZINC000364823525 555408017 /nfs/dbraw/zinc/40/80/17/555408017.db2.gz VBWHYSUSRWQTHF-SFHVURJKSA-N 1 0 354.454 2.364 20 30 FEEDRO C=CCN(CC=C)C(=O)C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000512745855 561913996 /nfs/dbraw/zinc/91/39/96/561913996.db2.gz XBDAJIPYKHBOPL-WBVHZDCISA-N 1 0 361.511 2.448 20 30 FEEDRO CCN(CCC#N)C(=O)C[NH2+][C@@H]1CCN(Cc2cnc(C)s2)C[C@@H]1C ZINC000364898749 555429944 /nfs/dbraw/zinc/42/99/44/555429944.db2.gz WNJKMTRCFIRMQG-WMLDXEAASA-N 1 0 363.531 2.014 20 30 FEEDRO C[N@@H+]1C[C@@H]2CN(C(=O)C(=O)Nc3ccc(C#N)cc3)C[C@@H]2[C@@H]1c1ccccc1 ZINC000365689700 555641535 /nfs/dbraw/zinc/64/15/35/555641535.db2.gz AUWJWNVKSBTJBV-HOJAQTOUSA-N 1 0 374.444 2.258 20 30 FEEDRO CCCCCCCCNC(=[NH2+])NC[C@@H]1CCC[C@]12NC(=O)N(C)C2=O ZINC000365691271 555641818 /nfs/dbraw/zinc/64/18/18/555641818.db2.gz JJPYYWBQGBXFQC-KSSFIOAISA-N 1 0 351.495 2.181 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@](CO)(c3ccccc3)C2)CC1 ZINC000365959486 555711680 /nfs/dbraw/zinc/71/16/80/555711680.db2.gz HOHAUNJLGSHMGD-NRFANRHFSA-N 1 0 357.498 2.373 20 30 FEEDRO C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1NC(=O)c1c(F)cc(C#N)cc1F ZINC000365959309 555711739 /nfs/dbraw/zinc/71/17/39/555711739.db2.gz IQTDRAAYHNYREN-SUYBPPKGSA-N 1 0 363.408 2.456 20 30 FEEDRO C#CC[C@]1(C(=O)N2CC[C@H](C[NH+](C)C)C2)CCCN1C(=O)OC(C)(C)C ZINC000365977234 555716021 /nfs/dbraw/zinc/71/60/21/555716021.db2.gz FVNOAVKGIITNMV-OXQOHEQNSA-N 1 0 363.502 2.190 20 30 FEEDRO C[NH+](C)Cc1ccccc1C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 ZINC000365987012 555718674 /nfs/dbraw/zinc/71/86/74/555718674.db2.gz QPFLZDCFJFYBLH-UHFFFAOYSA-N 1 0 363.465 2.414 20 30 FEEDRO N#Cc1ccc(N2CCC[C@H]([NH2+]C3(CO)Cc4ccccc4C3)C2=O)cc1 ZINC000366089223 555747935 /nfs/dbraw/zinc/74/79/35/555747935.db2.gz WFILXOCQGMBGAK-FQEVSTJZSA-N 1 0 361.445 2.173 20 30 FEEDRO N#Cc1cc(C(=O)NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)ccc1F ZINC000513691000 561946825 /nfs/dbraw/zinc/94/68/25/561946825.db2.gz PPAIBUOHGNDCGM-FQEVSTJZSA-N 1 0 353.397 2.064 20 30 FEEDRO C[NH+](C)C[C@H]1CN(S(=O)(=O)c2ccccc2C#N)c2ccccc2O1 ZINC000366185214 555774879 /nfs/dbraw/zinc/77/48/79/555774879.db2.gz ZLXPOQMPGOIZGV-HNNXBMFYSA-N 1 0 357.435 2.076 20 30 FEEDRO C[C@@H](NC(=O)[C@H](C)[NH+]1CCC(n2cnc(C#N)n2)CC1)c1ccc(F)cc1 ZINC000366392782 555831608 /nfs/dbraw/zinc/83/16/08/555831608.db2.gz PVXFBUWRKBLCRS-KGLIPLIRSA-N 1 0 370.432 2.192 20 30 FEEDRO N#Cc1ccc(O[C@H]2CC[N@@H+](CCc3nc4ccccc4c(=O)[nH]3)C2)nc1 ZINC000366425802 555840041 /nfs/dbraw/zinc/84/00/41/555840041.db2.gz XOQAKAVGDXWIMF-HNNXBMFYSA-N 1 0 361.405 2.298 20 30 FEEDRO CCN(CCC#N)C(=O)C[N@@H+]1CC[C@@H]2[C@H](CCN2C(=O)OC(C)(C)C)C1 ZINC000366536163 555870916 /nfs/dbraw/zinc/87/09/16/555870916.db2.gz QSXTZHGNEJVCEG-HZPDHXFCSA-N 1 0 364.490 2.080 20 30 FEEDRO CC[NH+](CC)CC[C@@H](CO)Nc1c(C#N)cnc2c(F)c(F)c(F)cc21 ZINC000514627492 561970598 /nfs/dbraw/zinc/97/05/98/561970598.db2.gz LYAVJZQLQMYQFQ-LBPRGKRZSA-N 1 0 366.387 2.450 20 30 FEEDRO C#CC[C@H](NC(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1)c1ccccc1 ZINC000367030662 556000358 /nfs/dbraw/zinc/00/03/58/556000358.db2.gz ROFUTISSXOWLTR-JBACZVJFSA-N 1 0 368.525 2.418 20 30 FEEDRO Cc1ccc(N(CCC#N)C(=O)C[NH2+][C@H]2CCC(=O)N[C@H]2C2CC2)cc1C ZINC000367460038 556056183 /nfs/dbraw/zinc/05/61/83/556056183.db2.gz XVYMPVMJASOSDG-RXVVDRJESA-N 1 0 368.481 2.197 20 30 FEEDRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@@]2(C#N)CCc3ccccc3C2)C1 ZINC000367569719 556085682 /nfs/dbraw/zinc/08/56/82/556085682.db2.gz KHOVIGZFQAGSLS-CTNGQTDRSA-N 1 0 355.482 2.158 20 30 FEEDRO C[C@H]1C[C@H](N2CCOCC2)CN1CC(=O)Nc1ccccc1SCC#N ZINC000367602528 556094332 /nfs/dbraw/zinc/09/43/32/556094332.db2.gz UHTKDMBSTSWYCM-HOTGVXAUSA-N 1 0 374.510 2.036 20 30 FEEDRO Cn1cc([C@H]2[C@@H](CNc3cc(N)c([N+](=O)[O-])c(C#N)c3)CCC[N@@H+]2C)cn1 ZINC000367732386 556125750 /nfs/dbraw/zinc/12/57/50/556125750.db2.gz ZIBJGIBSKYDJEE-SJKOYZFVSA-N 1 0 369.429 2.277 20 30 FEEDRO Cn1ccc(N2CC[C@H]([NH2+]Cc3cn(C)nc3-c3ccc(C#N)cc3)C2)n1 ZINC000367879229 556162976 /nfs/dbraw/zinc/16/29/76/556162976.db2.gz OKNNHJYPJKFDBL-SFHVURJKSA-N 1 0 361.453 2.061 20 30 FEEDRO CSCC[C@H]([NH2+]C1CCN(c2ccc(C#N)cc2)CC1)C(=O)N(C)C ZINC000367906131 556169222 /nfs/dbraw/zinc/16/92/22/556169222.db2.gz XXVKIQYUNXDJIC-SFHVURJKSA-N 1 0 360.527 2.327 20 30 FEEDRO C=CCN1CC[C@H]([NH+]2CCC(C(=O)N3CCc4ccccc43)CC2)C1=O ZINC000368537045 556338333 /nfs/dbraw/zinc/33/83/33/556338333.db2.gz GWJCXTABOZYDQD-IBGZPJMESA-N 1 0 353.466 2.075 20 30 FEEDRO N#CC[C@@H]1C[C@H]2[C@H](CCC[C@@H]2[NH2+]CCn2cc(Br)cn2)O1 ZINC000368602332 556359360 /nfs/dbraw/zinc/35/93/60/556359360.db2.gz JLTQOMXWVBHGCW-KBXIAJHMSA-N 1 0 353.264 2.475 20 30 FEEDRO N#C[C@@H]1CCC[C@H]([NH2+]C2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)C1 ZINC000368649847 556374120 /nfs/dbraw/zinc/37/41/20/556374120.db2.gz JZTLEDRPLAYRPP-SYNHAJSKSA-N 1 0 369.465 2.489 20 30 FEEDRO C[C@@H](C(=O)N1CCC(Nc2ccc(C#N)cn2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000368732413 556400309 /nfs/dbraw/zinc/40/03/09/556400309.db2.gz JUGWEEDRPNDPDV-XHSDSOJGSA-N 1 0 355.486 2.617 20 30 FEEDRO Cc1cc(NC(=O)NCCCC[NH+]2CCCC2)nn1-c1cccc(C#N)c1 ZINC000368878343 556436885 /nfs/dbraw/zinc/43/68/85/556436885.db2.gz CDTFAOYKCKKGJC-UHFFFAOYSA-N 1 0 366.469 3.050 20 30 FEEDRO Cc1c(C#N)c(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)nc2ccccc12 ZINC000515594470 562016297 /nfs/dbraw/zinc/01/62/97/562016297.db2.gz FOHZUNACYGRWQU-IBGZPJMESA-N 1 0 363.465 2.158 20 30 FEEDRO C[C@@H](CO)[N@@H+]1CCCN(CC(=O)c2cn(CCC#N)c3ccccc23)CC1 ZINC000368972701 556463851 /nfs/dbraw/zinc/46/38/51/556463851.db2.gz GHHVKVVSBOKYOB-KRWDZBQOSA-N 1 0 368.481 2.126 20 30 FEEDRO C[N@H+](Cc1ccc(F)cc1C#N)C1CCN(CC(=O)N2CCCC2)CC1 ZINC000369064191 556494319 /nfs/dbraw/zinc/49/43/19/556494319.db2.gz MDCBUBDOPFMCMF-UHFFFAOYSA-N 1 0 358.461 2.216 20 30 FEEDRO C=CCN1CC[C@@H]([N@@H+]2CCC3(C2)CCN(C(=O)OC(C)(C)C)CC3)C1=O ZINC000369204935 556535100 /nfs/dbraw/zinc/53/51/00/556535100.db2.gz QGHBEHWNIHCTPU-MRXNPFEDSA-N 1 0 363.502 2.496 20 30 FEEDRO C[NH+](C)Cc1c2ccccc2oc1C(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000369317003 556572798 /nfs/dbraw/zinc/57/27/98/556572798.db2.gz IHRMWIYXYBGDSM-OAHLLOKOSA-N 1 0 352.438 2.307 20 30 FEEDRO C=CCC[C@@H](CC)[NH2+]C[C@H]1CCn2ncc(C(=O)N3CCN(C)CC3)c2C1 ZINC000369515485 556617207 /nfs/dbraw/zinc/61/72/07/556617207.db2.gz JPGWFMWGOHJXCJ-ZWKOTPCHSA-N 1 0 373.545 2.168 20 30 FEEDRO C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CCC[N@@H+](C2CCOCC2)CC1 ZINC000369543847 556627290 /nfs/dbraw/zinc/62/72/90/556627290.db2.gz NESBKXLETPQZOP-MRXNPFEDSA-N 1 0 357.454 2.039 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)c2ccc3c(c2)NC(=O)CCS3)CC1 ZINC000369592656 556640983 /nfs/dbraw/zinc/64/09/83/556640983.db2.gz QSAYKWUYLUMFHR-UHFFFAOYSA-N 1 0 357.479 2.338 20 30 FEEDRO C=CCc1ccccc1OC[C@@H](O)C[NH2+][C@H]1CCCN(c2cnn(C)c2)C1 ZINC000516277032 562038427 /nfs/dbraw/zinc/03/84/27/562038427.db2.gz SYTOPHPURHRUGP-ICSRJNTNSA-N 1 0 370.497 2.147 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)[C@H]2CCC(=O)N2Cc2ccc(C)cc2)CC1 ZINC000369756202 556686149 /nfs/dbraw/zinc/68/61/49/556686149.db2.gz DKJOKEJSWSBEOJ-HXUWFJFHSA-N 1 0 367.493 2.090 20 30 FEEDRO C[C@@H]1CN(Cc2cn3ccccc3c2C#N)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000369767022 556689097 /nfs/dbraw/zinc/68/90/97/556689097.db2.gz PKJUHFNXMRDZKC-YLJYHZDGSA-N 1 0 351.498 2.269 20 30 FEEDRO C[C@H]([NH2+]C1CCN(CC(=O)N2CCCC2)CC1)c1ccc(OCC#N)cc1 ZINC000369840305 556709322 /nfs/dbraw/zinc/70/93/22/556709322.db2.gz KWIHJMIXWPMZFV-KRWDZBQOSA-N 1 0 370.497 2.326 20 30 FEEDRO C[N@H+](Cc1ccccc1)[C@H]1CCN(CC(=O)NCc2cccc(C#N)c2)C1 ZINC000369953070 556740009 /nfs/dbraw/zinc/74/00/09/556740009.db2.gz WCZJXGSZZDFPST-NRFANRHFSA-N 1 0 362.477 2.381 20 30 FEEDRO COC(=O)c1ccnc(N2CCC([NH2+]Cc3ccc(C#N)cc3)CC2)c1 ZINC000369968057 556744232 /nfs/dbraw/zinc/74/42/32/556744232.db2.gz WNWYEEVSJVJSDQ-UHFFFAOYSA-N 1 0 350.422 2.498 20 30 FEEDRO C[C@@H](C#N)Oc1ccc(C[NH2+][C@H]2CCN(C(=O)c3cccnc3)C2)cc1 ZINC000370521886 556898721 /nfs/dbraw/zinc/89/87/21/556898721.db2.gz IWOXKVPUPOLJMA-YJBOKZPZSA-N 1 0 350.422 2.377 20 30 FEEDRO N#Cc1c(Cl)cccc1S(=O)(=O)N1CCC[C@H]2C[NH2+]CCC[C@@H]21 ZINC000370607824 556920289 /nfs/dbraw/zinc/92/02/89/556920289.db2.gz ZDWSVGOEUSZFPU-WFASDCNBSA-N 1 0 353.875 2.364 20 30 FEEDRO N#Cc1cccc(CNC(=O)C[N@@H+]2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)c1 ZINC000516908714 562063983 /nfs/dbraw/zinc/06/39/83/562063983.db2.gz QJYWIDUSTNEWDZ-MOPGFXCFSA-N 1 0 353.466 2.456 20 30 FEEDRO C[C@H](C#N)Oc1ccc(CN2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)cc1 ZINC000370711140 556946486 /nfs/dbraw/zinc/94/64/86/556946486.db2.gz WBNLIHNDGOMMPY-WAOWUJCRSA-N 1 0 356.514 2.435 20 30 FEEDRO Cc1ncc(C[N@@H+]2CC[C@@H](NC(=O)c3ccc(C#N)nc3)[C@@H](C)C2)s1 ZINC000370962502 557028470 /nfs/dbraw/zinc/02/84/70/557028470.db2.gz OOJYOIPZWKLUOC-YVEFUNNKSA-N 1 0 355.467 2.359 20 30 FEEDRO N#Cc1cccc(CNC(=O)CN2CCC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000371194827 557103540 /nfs/dbraw/zinc/10/35/40/557103540.db2.gz GROFVJWPCFSHBQ-HXUWFJFHSA-N 1 0 354.498 2.372 20 30 FEEDRO C#CCOc1ccccc1C[NH+]1CCC(NC(=O)c2cccn2C)CC1 ZINC000371420436 557181060 /nfs/dbraw/zinc/18/10/60/557181060.db2.gz XKIMQZWORLLOQK-UHFFFAOYSA-N 1 0 351.450 2.432 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2C[C@@H]3[C@H]4CCCC[N@H+]4C[C@H]3C2)c(Cl)c1 ZINC000371632616 557246203 /nfs/dbraw/zinc/24/62/03/557246203.db2.gz IYCMUEUVHRZJCT-OFQRWUPVSA-N 1 0 365.886 2.316 20 30 FEEDRO N#CCc1ccc(OC[C@@H](O)C[NH2+]CCOc2ccc(C#N)cc2)cc1 ZINC000517924823 562100734 /nfs/dbraw/zinc/10/07/34/562100734.db2.gz AFDCGAGJDVNDQR-SFHVURJKSA-N 1 0 351.406 2.033 20 30 FEEDRO C=CCN(CC)C(=O)C(=O)Nc1ccc(N(C)C2CC[NH+](C)CC2)cc1 ZINC000371713956 557271980 /nfs/dbraw/zinc/27/19/80/557271980.db2.gz QNBOMOWMDSCWDZ-UHFFFAOYSA-N 1 0 358.486 2.190 20 30 FEEDRO C#CCOc1ccc(C(=O)NC[C@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)cc1 ZINC000371762717 557285924 /nfs/dbraw/zinc/28/59/24/557285924.db2.gz NWNHIPYIVSNJMV-YLJYHZDGSA-N 1 0 366.465 2.245 20 30 FEEDRO C#CCOc1ccc(C(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cnn(C)c2)cc1 ZINC000371762716 557286128 /nfs/dbraw/zinc/28/61/28/557286128.db2.gz NWNHIPYIVSNJMV-XLIONFOSSA-N 1 0 366.465 2.245 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2C[C@@H](OCC)[C@@]23CCCO3)CC1 ZINC000371937463 557333787 /nfs/dbraw/zinc/33/37/87/557333787.db2.gz LLUYELRHUQGFSM-ZHALLVOQSA-N 1 0 351.491 2.053 20 30 FEEDRO Cc1cc(C#N)ccc1S(=O)(=O)N1C[C@@H](C[NH+](C)C)Oc2ccccc21 ZINC000372016932 557357441 /nfs/dbraw/zinc/35/74/41/557357441.db2.gz JKIBPMAKFZLCHW-MRXNPFEDSA-N 1 0 371.462 2.385 20 30 FEEDRO C[C@H](O)C[C@@H](C[NH2+]C[C@H](O)COc1ccc(C#N)cc1)c1ccccc1 ZINC000518964811 562122035 /nfs/dbraw/zinc/12/20/35/562122035.db2.gz DYQACGCOTQQVEB-VDGAXYAQSA-N 1 0 354.450 2.442 20 30 FEEDRO Cc1cccc(N(CCC#N)C(=O)CN2CCCC[C@H]2C(=[NH2+])NO)c1C ZINC000372311067 557436502 /nfs/dbraw/zinc/43/65/02/557436502.db2.gz XUMLVRHJSCCRMG-KRWDZBQOSA-N 1 0 357.458 2.361 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)NCc2ccc(OC)c(NC(C)=O)c2)CC1 ZINC000519301580 562128890 /nfs/dbraw/zinc/12/88/90/562128890.db2.gz LVPZOUBCQFHIJD-UHFFFAOYSA-N 1 0 360.458 2.103 20 30 FEEDRO CSCc1nc2ccccc2n1CC(=O)NC1(C#N)CC[NH+](C)CC1 ZINC000519304660 562128973 /nfs/dbraw/zinc/12/89/73/562128973.db2.gz KOLHDHIHGWPGSX-UHFFFAOYSA-N 1 0 357.483 2.003 20 30 FEEDRO CC[N@H+](C)C[C@H]1CCN(C(=O)Nc2cc(C)n(-c3cccc(C#N)c3)n2)C1 ZINC000372482175 557482312 /nfs/dbraw/zinc/48/23/12/557482312.db2.gz NMHJUXDCTNOKNL-QGZVFWFLSA-N 1 0 366.469 2.858 20 30 FEEDRO C=CCN(C(=O)[C@@H]1CCN(C)C(=O)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000372597807 557516027 /nfs/dbraw/zinc/51/60/27/557516027.db2.gz BZSYVBXTUGMSPD-RTBURBONSA-N 1 0 355.482 2.144 20 30 FEEDRO CC(C)Oc1ccc(NC(=O)N2CCC[N@@H+]([C@@H](C)CO)CC2)cc1C#N ZINC000372721612 557546904 /nfs/dbraw/zinc/54/69/04/557546904.db2.gz XYHJEXSDUSNNCG-HNNXBMFYSA-N 1 0 360.458 2.266 20 30 FEEDRO C[C@H]1CN(S(=O)(=O)c2ccc(C#N)cc2F)CC[N@@H+](C2CCC2)C1 ZINC000519797477 562144253 /nfs/dbraw/zinc/14/42/53/562144253.db2.gz AEGSNTZYGUGLJM-CYBMUJFWSA-N 1 0 351.447 2.192 20 30 FEEDRO COc1ccc(C(=O)NCC[NH2+][C@@H]2CCC[C@@H]3O[C@H](CC#N)C[C@H]32)cc1 ZINC000373193054 557647220 /nfs/dbraw/zinc/64/72/20/557647220.db2.gz XAJPSAJYDUEEKX-HCXYKTFWSA-N 1 0 357.454 2.254 20 30 FEEDRO N#Cc1ccsc1NC(=O)CC[N@H+]1CC[C@@](C(N)=O)(c2ccccc2)C1 ZINC000520189672 562150124 /nfs/dbraw/zinc/15/01/24/562150124.db2.gz NXRLVWRLBDWRJI-IBGZPJMESA-N 1 0 368.462 2.077 20 30 FEEDRO C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000373322335 557672162 /nfs/dbraw/zinc/67/21/62/557672162.db2.gz VBIKOVXZAVZMOD-UKBAYJJMSA-N 1 0 350.503 2.315 20 30 FEEDRO Cc1cccc2nc(C[NH2+]C[C@@H](O)COc3ccc(CC#N)cc3)cn21 ZINC000520220131 562150993 /nfs/dbraw/zinc/15/09/93/562150993.db2.gz ROPFNSBTVYOKCB-GOSISDBHSA-N 1 0 350.422 2.238 20 30 FEEDRO COCCCOc1cccc(C[NH+]2CCC(n3cnc(C#N)n3)CC2)c1 ZINC000373464301 557698828 /nfs/dbraw/zinc/69/88/28/557698828.db2.gz DRTRUVQLKXYEQR-UHFFFAOYSA-N 1 0 355.442 2.402 20 30 FEEDRO CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)Nc2ccccc2CC#N)CC1=O ZINC000520426322 562156234 /nfs/dbraw/zinc/15/62/34/562156234.db2.gz FBUFFUUZSMWLNE-IRXDYDNUSA-N 1 0 354.454 2.024 20 30 FEEDRO C=CCN(C[C@H](O)CO[C@H](C)COC)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000373910588 557785023 /nfs/dbraw/zinc/78/50/23/557785023.db2.gz ZYUMZEGANJVHJY-NRSPTQNISA-N 1 0 362.514 2.161 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H]2CC(=O)N(Cc3ccccc3)[C@@H]2C)CC1 ZINC000373948182 557793884 /nfs/dbraw/zinc/79/38/84/557793884.db2.gz AGUAEWNYBGDIAE-VQIMIIECSA-N 1 0 370.497 2.126 20 30 FEEDRO C=CCN(C(=O)[C@@H](OC)c1cnn(C)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000373987029 557801511 /nfs/dbraw/zinc/80/15/11/557801511.db2.gz WKAQBLPXRMZBJZ-UXHICEINSA-N 1 0 368.481 2.397 20 30 FEEDRO C[C@H]1CN(C(=O)CCc2ccc(C#N)cc2)CCN1C1CC[NH+](C)CC1 ZINC000374252794 557851443 /nfs/dbraw/zinc/85/14/43/557851443.db2.gz AAWANNSWRKCMTM-KRWDZBQOSA-N 1 0 354.498 2.118 20 30 FEEDRO C[C@H]1CN(C(=O)CSc2ccc(C#N)cc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000374322464 557865347 /nfs/dbraw/zinc/86/53/47/557865347.db2.gz DIEQMWISYKVKQX-QFBILLFUSA-N 1 0 372.538 2.135 20 30 FEEDRO C[NH+](C)Cc1cccc(C(=O)N2C[C@@H](C#N)[C@]3(C2)c2ccccc2NC3=O)c1 ZINC000374379521 557875298 /nfs/dbraw/zinc/87/52/98/557875298.db2.gz HEVQRPNLNQMFCI-VGOFRKELSA-N 1 0 374.444 2.234 20 30 FEEDRO COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@H](C)[N@@H+]2CCCC2(C#N)CCOCC2)O1 ZINC000374558630 557899792 /nfs/dbraw/zinc/89/97/92/557899792.db2.gz ALJCHRJERMCZSR-HZMVEIRTSA-N 1 0 350.459 2.270 20 30 FEEDRO C[NH+](C)CCN(Cc1ccccc1F)S(=O)(=O)CC1(CC#N)CC1 ZINC000521112317 562169843 /nfs/dbraw/zinc/16/98/43/562169843.db2.gz HJQSISCAKYEYNH-UHFFFAOYSA-N 1 0 353.463 2.213 20 30 FEEDRO C[C@H](CC#N)N(C)S(=O)(=O)N1CC[N@H+](Cc2ccccc2)CC[C@H]1C ZINC000374592011 557903820 /nfs/dbraw/zinc/90/38/20/557903820.db2.gz IOBDKCWCPJNADM-IAGOWNOFSA-N 1 0 364.515 2.062 20 30 FEEDRO C[C@H](CSc1ccccc1)C(=O)N(CCC#N)CCN1CCOCC1 ZINC000521118709 562169969 /nfs/dbraw/zinc/16/99/69/562169969.db2.gz JIQYRLYLALCEOV-QGZVFWFLSA-N 1 0 361.511 2.489 20 30 FEEDRO CN1CCN(C2CC[NH+](Cc3ccccc3C(C)(C)C#N)CC2)C(=O)C1 ZINC000374726591 557921872 /nfs/dbraw/zinc/92/18/72/557921872.db2.gz PJDBADVKSXSSTO-UHFFFAOYSA-N 1 0 354.498 2.226 20 30 FEEDRO Cn1nccc1C1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H](O)COc1ccc(C#N)cc1 ZINC000374794075 557932339 /nfs/dbraw/zinc/93/23/39/557932339.db2.gz NOGYVDNOZWDALA-XVLXNVKGSA-N 1 0 366.465 2.442 20 30 FEEDRO N#CC1(NC(=O)COCC(F)(F)F)CC[NH+](Cc2ccccc2)CC1 ZINC000374890359 557946575 /nfs/dbraw/zinc/94/65/75/557946575.db2.gz FXJNCBSORYKIHP-UHFFFAOYSA-N 1 0 355.360 2.240 20 30 FEEDRO N#C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C[C@H]3CCCc4ccccc43)C2)CCO1 ZINC000374929327 557952588 /nfs/dbraw/zinc/95/25/88/557952588.db2.gz KTQULYJAOFLKAD-GUDVDZBRSA-N 1 0 353.466 2.179 20 30 FEEDRO CN1CC[C@@H]([NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)[C@@H]1c1ccccc1 ZINC000375070834 557973615 /nfs/dbraw/zinc/97/36/15/557973615.db2.gz JZPOWZVPUNXWKC-UXHICEINSA-N 1 0 369.490 2.367 20 30 FEEDRO N#Cc1ccc(CN2CCC([NH2+][C@@H]3CCC(=O)N[C@H]3C3CC3)CC2)cc1 ZINC000375301136 558006369 /nfs/dbraw/zinc/00/63/69/558006369.db2.gz FDOYWYIYLUSSSB-CTNGQTDRSA-N 1 0 352.482 2.169 20 30 FEEDRO CN1C(=O)C[C@H]([NH2+]C[C@H](O)c2ccc(C#N)cc2)[C@H]1c1ccc(F)cc1 ZINC000375429883 558025794 /nfs/dbraw/zinc/02/57/94/558025794.db2.gz TURZHSYSGGVCCZ-CMKODMSKSA-N 1 0 353.397 2.292 20 30 FEEDRO CN1C(=O)C[C@H]([NH2+]C[C@@H](O)c2ccc(C#N)cc2)[C@@H]1c1ccc(F)cc1 ZINC000375429885 558025843 /nfs/dbraw/zinc/02/58/43/558025843.db2.gz TURZHSYSGGVCCZ-NSHGMRRFSA-N 1 0 353.397 2.292 20 30 FEEDRO CCC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1CC(=O)NCc1cccc(C#N)c1 ZINC000375790755 558079720 /nfs/dbraw/zinc/07/97/20/558079720.db2.gz LDQNXYIMJGCBHM-RTBURBONSA-N 1 0 368.481 2.040 20 30 FEEDRO C=CC[C@H](C(=O)N1CCN(CC[N@@H+]2CCCOCC2)CC1)c1ccccc1 ZINC000376102461 558127568 /nfs/dbraw/zinc/12/75/68/558127568.db2.gz LBVRNNHOBRRTDT-NRFANRHFSA-N 1 0 371.525 2.213 20 30 FEEDRO C[C@@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)C1(S(C)(=O)=O)CC1 ZINC000376117080 558129033 /nfs/dbraw/zinc/12/90/33/558129033.db2.gz OLPLSUMGXWLYDF-OAHLLOKOSA-N 1 0 361.511 2.078 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)NC2CC[NH+](CC3CCCCC3)CC2)o1 ZINC000376244229 558146897 /nfs/dbraw/zinc/14/68/97/558146897.db2.gz SWJUFUNFHUMMPC-UHFFFAOYSA-N 1 0 351.472 2.474 20 30 FEEDRO C[C@H]1C[C@@H](CNS(=O)(=O)c2ccc(C#N)o2)C[N@@H+]1Cc1ccccc1 ZINC000376318755 558157177 /nfs/dbraw/zinc/15/71/77/558157177.db2.gz BERRJIZSPOIIHS-HOCLYGCPSA-N 1 0 359.451 2.340 20 30 FEEDRO COCC[N@@H+]1CC[C@H](NC(=O)c2cc(C3CC3)nc(SC)c2C#N)C1 ZINC000521679428 562181944 /nfs/dbraw/zinc/18/19/44/562181944.db2.gz VKRAHPOTIDPEPP-ZDUSSCGKSA-N 1 0 360.483 2.003 20 30 FEEDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000376361859 558163149 /nfs/dbraw/zinc/16/31/49/558163149.db2.gz ZTBKGQHHJSEAJH-DOMZBBRYSA-N 1 0 353.875 2.459 20 30 FEEDRO Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)NCC[N@@H+](C)C3CCCC3)C2)n1 ZINC000376783000 558220937 /nfs/dbraw/zinc/22/09/37/558220937.db2.gz PGOMHIPWOMDYSM-GOSISDBHSA-N 1 0 369.513 2.469 20 30 FEEDRO C#CCCS(=O)(=O)N[C@@H]1CCN(C2CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000377297075 558309056 /nfs/dbraw/zinc/30/90/56/558309056.db2.gz PORIEOIALDMAAJ-SJORKVTESA-N 1 0 354.422 2.185 20 30 FEEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000522085727 562191263 /nfs/dbraw/zinc/19/12/63/562191263.db2.gz XMTYRAXTDOYYPP-UHFFFAOYSA-N 1 0 373.501 2.495 20 30 FEEDRO COc1cc(C[N@@H+]2CCCC[C@H]2COC(=O)N[C@@H]2CCOC2)ccc1C#N ZINC000377690374 558398069 /nfs/dbraw/zinc/39/80/69/558398069.db2.gz GGVSPNPTAVEVKW-MSOLQXFVSA-N 1 0 373.453 2.436 20 30 FEEDRO C#Cc1ccccc1CC(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cnn(C)c1 ZINC000377939120 558449140 /nfs/dbraw/zinc/44/91/40/558449140.db2.gz JFAINZVBHOHYAC-RXVVDRJESA-N 1 0 350.466 2.143 20 30 FEEDRO CN1CCN(C(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)C[C@H]1C#N ZINC000378112457 558483667 /nfs/dbraw/zinc/48/36/67/558483667.db2.gz VIDAPSKOHDVSAF-WOJBJXKFSA-N 1 0 369.513 2.138 20 30 FEEDRO Cc1ncc(C[N@@H+]2CC[C@H](Nc3nccc(C#N)c3[N+](=O)[O-])[C@H](C)C2)s1 ZINC000378130974 558487721 /nfs/dbraw/zinc/48/77/21/558487721.db2.gz DKTPHEVECQTPLZ-ABAIWWIYSA-N 1 0 372.454 2.949 20 30 FEEDRO C#CC[C@H](NC(=O)N1CCC[C@@H]1C[N@H+]1CCC[C@H]1CO)c1ccccc1 ZINC000378277437 558517693 /nfs/dbraw/zinc/51/76/93/558517693.db2.gz MMEVLYMBGORCDK-AABGKKOBSA-N 1 0 355.482 2.382 20 30 FEEDRO C[C@@H]1CN(C(=O)Nc2ccc(CC#N)cc2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000378308720 558525826 /nfs/dbraw/zinc/52/58/26/558525826.db2.gz NRHKXJYWYDPFEN-APWZRJJASA-N 1 0 355.486 2.242 20 30 FEEDRO CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCC2(C[C@H]2C(=O)N2CCCCC2)CC1 ZINC000378405797 558549283 /nfs/dbraw/zinc/54/92/83/558549283.db2.gz DPPLRCMEYTYZSR-ROUUACIJSA-N 1 0 374.529 2.109 20 30 FEEDRO Cc1cc(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)cc(=O)[nH]1 ZINC000378500435 558570510 /nfs/dbraw/zinc/57/05/10/558570510.db2.gz XOAWBJPCFKMYOG-UHFFFAOYSA-N 1 0 350.422 2.384 20 30 FEEDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NS(=O)(=O)Cc1ccc(C#N)cc1 ZINC000389879670 558610073 /nfs/dbraw/zinc/61/00/73/558610073.db2.gz NMZWXXXQYGBVLV-OXQOHEQNSA-N 1 0 369.490 2.498 20 30 FEEDRO CCc1nc(C#N)cc(N2CCO[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]32)n1 ZINC000404181508 558631580 /nfs/dbraw/zinc/63/15/80/558631580.db2.gz JKULFTSNIDOYRU-RTBURBONSA-N 1 0 363.465 2.390 20 30 FEEDRO Cc1ncc(S(=O)(=O)N[C@]2(C)CC[N@H+](Cc3ccccc3)C2)cc1C#N ZINC000405947620 558632820 /nfs/dbraw/zinc/63/28/20/558632820.db2.gz CZNJTLXKXASBHR-LJQANCHMSA-N 1 0 370.478 2.205 20 30 FEEDRO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000408135713 558650418 /nfs/dbraw/zinc/65/04/18/558650418.db2.gz ZIMADOALLVCEAH-SJORKVTESA-N 1 0 360.502 2.052 20 30 FEEDRO Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N[C@@H]3CC[N@H+](C)[C@H](C)C3)C2)n1 ZINC000408288361 558664416 /nfs/dbraw/zinc/66/44/16/558664416.db2.gz XKIJDSMFHFQQST-BPQIPLTHSA-N 1 0 355.486 2.077 20 30 FEEDRO C=C1CCN([C@@H](C)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)CC1 ZINC000524564420 562230287 /nfs/dbraw/zinc/23/02/87/562230287.db2.gz VSNLMVNSHNPHAK-INIZCTEOSA-N 1 0 354.454 2.463 20 30 FEEDRO CC1CC[NH+](C[C@@H](O)CNC(=O)CSCc2ccc(C#N)cc2)CC1 ZINC000409716506 558715872 /nfs/dbraw/zinc/71/58/72/558715872.db2.gz LPCJZIWNGMUGJR-SFHVURJKSA-N 1 0 361.511 2.000 20 30 FEEDRO C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)CCCC1(C#N)CCOCC1 ZINC000410317827 558751318 /nfs/dbraw/zinc/75/13/18/558751318.db2.gz SYMFRRQZKZIOFM-HNNXBMFYSA-N 1 0 365.499 2.427 20 30 FEEDRO C=CCCCN(C)C(=O)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000410685795 558798707 /nfs/dbraw/zinc/79/87/07/558798707.db2.gz DYEMVUAJUJRDTP-VQTJNVASSA-N 1 0 369.509 2.392 20 30 FEEDRO C=CCN(CCc1ccco1)C(=O)C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000410822768 558814321 /nfs/dbraw/zinc/81/43/21/558814321.db2.gz HGZIJNWTKJSNQB-UHFFFAOYSA-N 1 0 373.497 2.314 20 30 FEEDRO C[C@@H](C#N)CN(C)C(=O)C(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000410900375 558821001 /nfs/dbraw/zinc/82/10/01/558821001.db2.gz QMMUHAILIPXDQP-DLBZAZTESA-N 1 0 362.518 2.108 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H]([C@H](C)CC)C(F)(F)F)CC1 ZINC000411229123 558856702 /nfs/dbraw/zinc/85/67/02/558856702.db2.gz PVLQWBBSWSPHKV-TZMCWYRMSA-N 1 0 363.424 2.236 20 30 FEEDRO Cc1cc(NC(=O)C(=O)NCCc2cccc(C#N)c2)ccc1C[NH+](C)C ZINC000411494715 558905069 /nfs/dbraw/zinc/90/50/69/558905069.db2.gz UJLAPLCSEFVJBH-UHFFFAOYSA-N 1 0 364.449 2.226 20 30 FEEDRO COC(=O)C[C@@](C)([NH2+]CCC(=O)Nc1ccccc1C#N)c1ccccn1 ZINC000411562893 558918122 /nfs/dbraw/zinc/91/81/22/558918122.db2.gz PWYGDDBNRRFCAC-HXUWFJFHSA-N 1 0 366.421 2.350 20 30 FEEDRO CC[NH+](CC)CCCNC(=O)C1CCN(c2ncc(C#N)cc2F)CC1 ZINC000413053499 559073330 /nfs/dbraw/zinc/07/33/30/559073330.db2.gz JSHHXIBNBWACTJ-UHFFFAOYSA-N 1 0 361.465 2.157 20 30 FEEDRO C=CC[C@H](Cc1ccccc1)NC(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1 ZINC000413836882 559133844 /nfs/dbraw/zinc/13/38/44/559133844.db2.gz PYPRYAGMRMZXSS-AZUAARDMSA-N 1 0 358.530 2.499 20 30 FEEDRO CCS(=O)(=O)CCC[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000414538380 559170651 /nfs/dbraw/zinc/17/06/51/559170651.db2.gz BNBFQSYAMIPIAI-UHFFFAOYSA-N 1 0 360.483 2.378 20 30 FEEDRO N#Cc1cccc(COc2cccc(C[N@@H+]3CC[C@H](O)[C@H](CO)C3)c2)c1 ZINC000414556052 559171361 /nfs/dbraw/zinc/17/13/61/559171361.db2.gz JEEHUHOXRHIIMR-FPOVZHCZSA-N 1 0 352.434 2.312 20 30 FEEDRO N#Cc1cc(NC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)ccc1OCC(F)(F)F ZINC000414852359 559190759 /nfs/dbraw/zinc/19/07/59/559190759.db2.gz RBBAXVSBXPSXMD-TXEJJXNPSA-N 1 0 354.332 2.182 20 30 FEEDRO C=CCOc1c(Br)cc(C[NH2+]C[C@@H]2CNCCO2)cc1OC ZINC000415093035 559204852 /nfs/dbraw/zinc/20/48/52/559204852.db2.gz HHZGJRYVRFBHFD-ZDUSSCGKSA-N 1 0 371.275 2.101 20 30 FEEDRO CC(C)[C@H]1CCc2c(C#N)c(NC(=O)C(=O)NCC[C@H](C)[NH3+])sc2C1 ZINC000415354175 559226828 /nfs/dbraw/zinc/22/68/28/559226828.db2.gz BQTHOMQABBBUES-RYUDHWBXSA-N 1 0 362.499 2.173 20 30 FEEDRO CC(C)Oc1ccc(NC(=O)C(=O)N[C@@H](C[NH3+])C2CCCCC2)cc1C#N ZINC000415432325 559235987 /nfs/dbraw/zinc/23/59/87/559235987.db2.gz VSXQUSFYPOKIHL-KRWDZBQOSA-N 1 0 372.469 2.308 20 30 FEEDRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)Nc2sc(C(C)(C)C)cc2C#N)C1 ZINC000415432829 559236036 /nfs/dbraw/zinc/23/60/36/559236036.db2.gz HPEJGVUHAXCTJX-VXGBXAGGSA-N 1 0 362.499 2.442 20 30 FEEDRO CC1(C)[NH2+]CC[C@H]1NC(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 ZINC000415436639 559236641 /nfs/dbraw/zinc/23/66/41/559236641.db2.gz BPOZBWZBIILRHK-CQSZACIVSA-N 1 0 358.833 2.659 20 30 FEEDRO N#Cc1c(F)cccc1-n1ccc(NC(=O)N[C@@H](C[NH3+])C2CCCCC2)n1 ZINC000415440700 559237210 /nfs/dbraw/zinc/23/72/10/559237210.db2.gz OOAIMKVQVWKBNI-INIZCTEOSA-N 1 0 370.432 2.912 20 30 FEEDRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000415449144 559238244 /nfs/dbraw/zinc/23/82/44/559238244.db2.gz VHGMTYBRQQHKIG-GOSISDBHSA-N 1 0 366.421 2.389 20 30 FEEDRO COCCOc1ccc(C#N)cc1NC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000415472264 559240868 /nfs/dbraw/zinc/24/08/68/559240868.db2.gz VVJURFCRVQJTQP-IBGZPJMESA-N 1 0 358.442 2.191 20 30 FEEDRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)Nc1ccccc1SCCC#N ZINC000415505272 559244626 /nfs/dbraw/zinc/24/46/26/559244626.db2.gz PWEDLQANSGAHIF-AWEZNQCLSA-N 1 0 362.499 2.463 20 30 FEEDRO CC(C)[C@H]1CCc2c(C#N)c(NC(=O)C(=O)NC[C@H](C)C[NH3+])sc2C1 ZINC000415510899 559245255 /nfs/dbraw/zinc/24/52/55/559245255.db2.gz LKWSLOUQVCCBPQ-NEPJUHHUSA-N 1 0 362.499 2.030 20 30 FEEDRO N#Cc1cc(NC(=O)NC[C@@H]2C[NH2+]CCO2)ccc1Oc1ccccc1 ZINC000415535555 559247525 /nfs/dbraw/zinc/24/75/25/559247525.db2.gz LUNLXOXTQOUJSA-KRWDZBQOSA-N 1 0 352.394 2.460 20 30 FEEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000415551471 559248743 /nfs/dbraw/zinc/24/87/43/559248743.db2.gz DONUDRJQBROBRE-HZSPNIEDSA-N 1 0 360.483 2.228 20 30 FEEDRO C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000415601631 559254212 /nfs/dbraw/zinc/25/42/12/559254212.db2.gz PXJSYYAVUNUYPY-HZSPNIEDSA-N 1 0 364.471 2.011 20 30 FEEDRO C=CCOc1ccc(Br)cc1NC(=O)N1CCO[C@H](C[NH3+])C1 ZINC000415802124 559272628 /nfs/dbraw/zinc/27/26/28/559272628.db2.gz HVJNSHDRDHXAPN-GFCCVEGCSA-N 1 0 370.247 2.205 20 30 FEEDRO Cc1cccc(NC(=O)C(=O)N2CCC([C@H]3[NH2+]CC3(C)C)CC2)c1C#N ZINC000415867935 559279927 /nfs/dbraw/zinc/27/99/27/559279927.db2.gz XIXCBYFCZZWNDU-QGZVFWFLSA-N 1 0 354.454 2.042 20 30 FEEDRO O=C(Nc1ccccc1C#Cc1ccccc1)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000415868619 559280128 /nfs/dbraw/zinc/28/01/28/559280128.db2.gz METFFSBOHKYKKB-PMACEKPBSA-N 1 0 373.456 2.093 20 30 FEEDRO C[NH2+]Cc1cccc(NC(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)c1 ZINC000415935103 559283272 /nfs/dbraw/zinc/28/32/72/559283272.db2.gz SOQXXQARIOXDGI-QGZVFWFLSA-N 1 0 351.410 2.358 20 30 FEEDRO C[N@@H+](Cc1cccc(C#N)c1)C[C@H](O)COc1ccc2c(c1)CCC(=O)N2 ZINC000416462541 559314822 /nfs/dbraw/zinc/31/48/22/559314822.db2.gz QZNUMWYHOWPPGF-SFHVURJKSA-N 1 0 365.433 2.315 20 30 FEEDRO C[C@H]([NH3+])[C@H]1CCN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)C1 ZINC000417570204 559367111 /nfs/dbraw/zinc/36/71/11/559367111.db2.gz DANSBRZTESQMPG-CWRNSKLLSA-N 1 0 359.449 2.045 20 30 FEEDRO COc1ccc(S(=O)(=O)N2CCC([NH2+]CC3(C#N)CCC3)CC2)cc1 ZINC000418145736 559391747 /nfs/dbraw/zinc/39/17/47/559391747.db2.gz YTOZAGOIQVNFNT-UHFFFAOYSA-N 1 0 363.483 2.132 20 30 FEEDRO N#Cc1ccccc1N1CCCN(C(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000418715532 559412255 /nfs/dbraw/zinc/41/22/55/559412255.db2.gz IPGFPEPJVDAURN-SJLPKXTDSA-N 1 0 355.486 2.297 20 30 FEEDRO N#Cc1cccc(NC(=O)C2CCN(C(=O)N[C@@H]3CC[C@H](C[NH3+])C3)CC2)c1 ZINC000418795666 559416438 /nfs/dbraw/zinc/41/64/38/559416438.db2.gz SFXWPJTUNKZKRS-MAUKXSAKSA-N 1 0 369.469 2.046 20 30 FEEDRO C[N@H+](CCCO)C1CCN(C(=O)N[C@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000419633455 559450768 /nfs/dbraw/zinc/45/07/68/559450768.db2.gz HBBIVVUXPUSCBW-FQEVSTJZSA-N 1 0 370.497 2.424 20 30 FEEDRO C=CCC[C@H](NC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1)c1ccccc1 ZINC000419661519 559452461 /nfs/dbraw/zinc/45/24/61/559452461.db2.gz FOCJWASPCHXDNN-OKYOBFRVSA-N 1 0 355.482 2.396 20 30 FEEDRO C=CCC[C@@H](NC(=O)C(=O)N1CCC(OCCC[NH3+])CC1)c1ccccc1 ZINC000419664676 559452541 /nfs/dbraw/zinc/45/25/41/559452541.db2.gz MOWRMAKSTOCQMZ-LJQANCHMSA-N 1 0 373.497 2.167 20 30 FEEDRO C=C(C)[C@H](NC(=O)C(=O)N[C@H]1CCCC[C@H]1C[NH3+])c1ccc(F)c(F)c1 ZINC000419668885 559452730 /nfs/dbraw/zinc/45/27/30/559452730.db2.gz ATJFTPCFBAGOPA-JQFCIGGWSA-N 1 0 365.424 2.332 20 30 FEEDRO C=CCC[C@H](NC(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1ccccc1 ZINC000419669924 559452867 /nfs/dbraw/zinc/45/28/67/559452867.db2.gz WAEKOWIUYNSVFU-HCXYKTFWSA-N 1 0 355.482 2.314 20 30 FEEDRO C=C(C)[C@H](NC(=O)C(=O)N1CCCC[C@@H]1C[NH3+])c1ccc(F)c(F)c1 ZINC000419674667 559453222 /nfs/dbraw/zinc/45/32/22/559453222.db2.gz JILNVKHGCPCIQY-CJNGLKHVSA-N 1 0 351.397 2.038 20 30 FEEDRO C[N@H+](CCc1cccc(NC(=O)C(=O)NCC2(C#N)CCC2)c1)C1CC1 ZINC000419820979 559461077 /nfs/dbraw/zinc/46/10/77/559461077.db2.gz SXDBGVHOCDLECO-UHFFFAOYSA-N 1 0 354.454 2.072 20 30 FEEDRO C=CCC[C@H]1NC(=O)N([C@@H](C)C[NH+]2CCN(c3ccccc3)CC2)C1=O ZINC000419974239 559467128 /nfs/dbraw/zinc/46/71/28/559467128.db2.gz JGRJTAAYPRPTEE-FUHWJXTLSA-N 1 0 356.470 2.084 20 30 FEEDRO N#Cc1cc(S(=O)(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)ccc1C(F)(F)F ZINC000420477207 559489607 /nfs/dbraw/zinc/48/96/07/559489607.db2.gz ZNNIBMNFGNZLRA-PWSUYJOCSA-N 1 0 361.389 2.373 20 30 FEEDRO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2C[C@H](C)C[C@H](CO)C2)cc1 ZINC000420936140 559512602 /nfs/dbraw/zinc/51/26/02/559512602.db2.gz KKXKJPJTRALOHB-SJORKVTESA-N 1 0 359.470 2.282 20 30 FEEDRO COC1([C@@H](C)[NH2+]CC(=O)Nc2cc(Cl)ccc2C#N)CCOCC1 ZINC000421030903 559520725 /nfs/dbraw/zinc/52/07/25/559520725.db2.gz JWUUHJDNVGDKFJ-GFCCVEGCSA-N 1 0 351.834 2.324 20 30 FEEDRO CCOC(=O)c1c(NC(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)c(C#N)cn1CC ZINC000421179335 559529248 /nfs/dbraw/zinc/52/92/48/559529248.db2.gz ZTNIZCXDALJDSP-JSGCOSHPSA-N 1 0 361.446 2.161 20 30 FEEDRO Cc1ccccc1C[NH+]1CCC(NC(=O)C(=O)NCC(C)(C)CC#N)CC1 ZINC000421398576 559541150 /nfs/dbraw/zinc/54/11/50/559541150.db2.gz GMLPZPVAVGKYGQ-UHFFFAOYSA-N 1 0 370.497 2.132 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)c2nnn(Cc3ccccc3)c2CC)CC1 ZINC000421766585 559552445 /nfs/dbraw/zinc/55/24/45/559552445.db2.gz GEIHQKSLXNAMOR-UHFFFAOYSA-N 1 0 353.470 2.269 20 30 FEEDRO C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)NC[C@H]1CCCC[N@H+]1CC ZINC000422310113 559577589 /nfs/dbraw/zinc/57/75/89/559577589.db2.gz VMGRELVLBMNRKN-RBUKOAKNSA-N 1 0 357.498 2.281 20 30 FEEDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C(=O)NCC(C)(C)CC#N)C1 ZINC000422478797 559590853 /nfs/dbraw/zinc/59/08/53/559590853.db2.gz IQEHOUVGTOXUSC-IAGOWNOFSA-N 1 0 362.518 2.155 20 30 FEEDRO C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N1CC[C@@H]([NH+](CC)CC)C1 ZINC000422536086 559593608 /nfs/dbraw/zinc/59/36/08/559593608.db2.gz CTIPPJOYNCSUKV-RTBURBONSA-N 1 0 357.498 2.233 20 30 FEEDRO CCOC(=O)[C@H]1NCC[C@H]1[NH2+]C1CCC(Oc2ccccc2C#N)CC1 ZINC000422987492 559614015 /nfs/dbraw/zinc/61/40/15/559614015.db2.gz ISAJRLGDGBATEV-WXVPWVKJSA-N 1 0 357.454 2.131 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000423011857 559615050 /nfs/dbraw/zinc/61/50/50/559615050.db2.gz BRGNKTUIIKGEPT-INIZCTEOSA-N 1 0 361.511 2.111 20 30 FEEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000423020443 559615316 /nfs/dbraw/zinc/61/53/16/559615316.db2.gz BLUVXDJTVLWECQ-STQMWFEESA-N 1 0 369.918 2.359 20 30 FEEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000423023169 559615511 /nfs/dbraw/zinc/61/55/11/559615511.db2.gz JGGYZJMLWANPFJ-GXTWGEPZSA-N 1 0 367.902 2.127 20 30 FEEDRO C=C(C)CN(Cc1ccccc1)C(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000423371971 559626988 /nfs/dbraw/zinc/62/69/88/559626988.db2.gz QRDKQDMGRVENAM-IPMKNSEASA-N 1 0 355.482 2.177 20 30 FEEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000423557909 559632053 /nfs/dbraw/zinc/63/20/53/559632053.db2.gz IOQDUDLUPRUKDM-AWEZNQCLSA-N 1 0 372.494 2.231 20 30 FEEDRO COC(=O)[C@@H](CNC(=O)[C@H]([NH3+])CCCC#N)Cc1cccc2ccccc21 ZINC000424122314 559655538 /nfs/dbraw/zinc/65/55/38/559655538.db2.gz JCXHGUFYVFFRDX-IEBWSBKVSA-N 1 0 367.449 2.309 20 30 FEEDRO N#CCCC[C@H]([NH3+])C(=O)Nc1ccc2nc(N3CCOCC3)sc2c1 ZINC000424141936 559655923 /nfs/dbraw/zinc/65/59/23/559655923.db2.gz UMLOQNUFLZIUPU-ZDUSSCGKSA-N 1 0 359.455 2.093 20 30 FEEDRO C=CCCn1cc(C(=O)N(Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)nn1 ZINC000424157686 559656341 /nfs/dbraw/zinc/65/63/41/559656341.db2.gz NQGDIHYOLHQSGK-QGZVFWFLSA-N 1 0 354.458 2.034 20 30 FEEDRO COc1cc(N[C@H]2CCCN(C(=O)[C@H]([NH3+])CCCC#N)C2)cc(OC)c1 ZINC000424165104 559656574 /nfs/dbraw/zinc/65/65/74/559656574.db2.gz DJQVGUYJOWANPO-KBXCAEBGSA-N 1 0 360.458 2.128 20 30 FEEDRO C=C(C)Cn1c(-c2cccnc2)nnc1N1CC[NH+](C(C)(C)COC)CC1 ZINC000424221051 559658407 /nfs/dbraw/zinc/65/84/07/559658407.db2.gz JOZFKYVXMWXGFR-UHFFFAOYSA-N 1 0 370.501 2.463 20 30 FEEDRO N#Cc1ccc(-n2ccc(NC(=O)N[C@@H]3CCCC[C@H]3[NH3+])n2)c(Cl)c1 ZINC000424420522 559663808 /nfs/dbraw/zinc/66/38/08/559663808.db2.gz WCPRAXXJUAYOSK-ZIAGYGMSSA-N 1 0 358.833 2.789 20 30 FEEDRO C=CCn1cc(CNC(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)nn1 ZINC000424420100 559663833 /nfs/dbraw/zinc/66/38/33/559663833.db2.gz UMJGBHYTQZELKT-UHFFFAOYSA-N 1 0 354.336 2.263 20 30 FEEDRO Cc1cc(C[NH3+])cc(NC(=O)N2CCN(c3cc(C#N)ccn3)CC2)c1 ZINC000424448439 559665461 /nfs/dbraw/zinc/66/54/61/559665461.db2.gz XWWMSYAHASJEMT-UHFFFAOYSA-N 1 0 350.426 2.075 20 30 FEEDRO C=CCC1(C(=O)N2CCN(C3CC[NH+](C(C)C)CC3)CC2)CCOCC1 ZINC000424738345 559675198 /nfs/dbraw/zinc/67/51/98/559675198.db2.gz PDPSGHYJDVXUGR-UHFFFAOYSA-N 1 0 363.546 2.376 20 30 FEEDRO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000425384996 559699302 /nfs/dbraw/zinc/69/93/02/559699302.db2.gz MWOWPWGOTDZSKV-LPHOPBHVSA-N 1 0 368.481 2.164 20 30 FEEDRO C=CCn1cc(CNC(=O)NC[C@@H]2CCC[N@@H+]2CC2CCCCC2)nn1 ZINC000425442521 559702435 /nfs/dbraw/zinc/70/24/35/559702435.db2.gz JMFSDBLUUKYVDS-SFHVURJKSA-N 1 0 360.506 2.308 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)NCC1([NH+]2CCC(OC)CC2)CCCC1 ZINC000425450960 559702764 /nfs/dbraw/zinc/70/27/64/559702764.db2.gz ZMQSSHJZFMIBFH-WMZOPIPTSA-N 1 0 365.518 2.300 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@H]1CC[N@@H+](CCCOCC)C[C@H]1C ZINC000425456416 559702987 /nfs/dbraw/zinc/70/29/87/559702987.db2.gz WODLNNHKTJQRAQ-OWSLCNJRSA-N 1 0 353.507 2.014 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000425521797 559707566 /nfs/dbraw/zinc/70/75/66/559707566.db2.gz KZEQSXBXHGDXKM-ZCNNSNEGSA-N 1 0 373.497 2.168 20 30 FEEDRO N#Cc1ccc(NC(=O)CC[NH2+][C@@H](C2CCOCC2)C2(CO)CCC2)cc1 ZINC000425539596 559708583 /nfs/dbraw/zinc/70/85/83/559708583.db2.gz KMTGHVVTIIFEGY-FQEVSTJZSA-N 1 0 371.481 2.434 20 30 FEEDRO C[NH+](C)CCOc1cccc(CNC(=O)c2ncc(C#N)cc2Cl)c1 ZINC000427915160 559765097 /nfs/dbraw/zinc/76/50/97/559765097.db2.gz SODSUOYIILKOSS-UHFFFAOYSA-N 1 0 358.829 2.477 20 30 FEEDRO Cc1ccccc1[C@H]([C@H](C)NS(=O)(=O)c1cccnc1C#N)[NH+](C)C ZINC000428398557 559774699 /nfs/dbraw/zinc/77/46/99/559774699.db2.gz GAHFDQIQZPFKHD-KSSFIOAISA-N 1 0 358.467 2.231 20 30 FEEDRO C[C@H]([NH2+][C@@H](CO)c1ccc(Br)cc1)C(=O)NC1(C#N)CCC1 ZINC000428774421 559782846 /nfs/dbraw/zinc/78/28/46/559782846.db2.gz WAZZBGSYQGWNKL-FZMZJTMJSA-N 1 0 366.259 2.023 20 30 FEEDRO Cc1ccc(C)c(OC[C@H](O)C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)c1 ZINC000428781553 559783222 /nfs/dbraw/zinc/78/32/22/559783222.db2.gz GZUKCNBMLYFUSG-MOPGFXCFSA-N 1 0 367.449 2.463 20 30 FEEDRO Cc1c(C#N)cccc1NC(=O)C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000431845385 559847242 /nfs/dbraw/zinc/84/72/42/559847242.db2.gz ODHKOBMFAHTABR-SFHVURJKSA-N 1 0 364.449 2.094 20 30 FEEDRO N#CCCn1cc(C[NH2+]Cc2ccc(C(N)=O)cc2)c(-c2ccncc2)n1 ZINC000433337437 559877344 /nfs/dbraw/zinc/87/73/44/559877344.db2.gz YXXHUXJLQKMSMB-UHFFFAOYSA-N 1 0 360.421 2.247 20 30 FEEDRO N#CCCn1cc(C[N@H+]2CCCC[C@@H]2CC(N)=O)c(-c2ccncc2)n1 ZINC000435132564 559916977 /nfs/dbraw/zinc/91/69/77/559916977.db2.gz KGBICHVRHOWCEX-QGZVFWFLSA-N 1 0 352.442 2.089 20 30 FEEDRO C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1cc(Cl)c(OCC(N)=O)c(OC)c1 ZINC000435752172 559929508 /nfs/dbraw/zinc/92/95/08/559929508.db2.gz WNOMHYVYRZPOKJ-SUMWQHHRSA-N 1 0 368.861 2.284 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)CC(=O)N1CCC(C(=O)OCC)CC1 ZINC000436304975 559939497 /nfs/dbraw/zinc/93/94/97/559939497.db2.gz GFDBLCAQYBLUAD-WDYCEAGBSA-N 1 0 366.502 2.138 20 30 FEEDRO COCCn1cc(C[NH2+]C2CCC(Oc3ncccc3C#N)CC2)cn1 ZINC000438468041 559979461 /nfs/dbraw/zinc/97/94/61/559979461.db2.gz VWOSAWXGKIFLCQ-UHFFFAOYSA-N 1 0 355.442 2.276 20 30 FEEDRO C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000439354706 559992512 /nfs/dbraw/zinc/99/25/12/559992512.db2.gz RYPKQIPLSNHTLO-NSHDSACASA-N 1 0 368.359 2.068 20 30 FEEDRO Cc1cc(F)cc2c1ncc(C#N)c2NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000440668821 560015859 /nfs/dbraw/zinc/01/58/59/560015859.db2.gz RXCXIEVLBIRION-UHFFFAOYSA-N 1 0 355.461 2.414 20 30 FEEDRO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[NH2+]C1(CCO)CCCCC1 ZINC000440904548 560019338 /nfs/dbraw/zinc/01/93/38/560019338.db2.gz NISFQYZDXGLSTE-UHFFFAOYSA-N 1 0 367.453 2.357 20 30 FEEDRO CCN1C[C@H](C)N(C(=O)C(=O)Nc2cc(C#N)ccc2OC(C)C)C[C@H]1C ZINC000441090054 560023316 /nfs/dbraw/zinc/02/33/16/560023316.db2.gz CAWPVIZPTATDBT-CABCVRRESA-N 1 0 372.469 2.225 20 30 FEEDRO C=CC[C@H]1N(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CCCC1(C)C ZINC000445153249 560130031 /nfs/dbraw/zinc/13/00/31/560130031.db2.gz SOAQNYLZEILHEF-IAGOWNOFSA-N 1 0 364.534 2.350 20 30 FEEDRO C=CCNC(=O)Nc1ccc(NC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@@H]3C2(C)C)cc1 ZINC000446386978 560145342 /nfs/dbraw/zinc/14/53/42/560145342.db2.gz UPRMPQSUJSFQJT-GQIGUUNPSA-N 1 0 372.469 2.465 20 30 FEEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)C[NH2+][C@@H](CO)[C@H]2CCCO2)c1C#N ZINC000447915636 560172904 /nfs/dbraw/zinc/17/29/04/560172904.db2.gz SDDXDNMMPGRAPU-ZWKOTPCHSA-N 1 0 374.485 2.160 20 30 FEEDRO CN1C2(CCC2)COC[C@@]1(CO)C[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000527754976 562302622 /nfs/dbraw/zinc/30/26/22/562302622.db2.gz QXJKLODVALHLEY-NRFANRHFSA-N 1 0 373.497 2.075 20 30 FEEDRO Cc1[nH]c(C#N)cc1C(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000448687165 560194331 /nfs/dbraw/zinc/19/43/31/560194331.db2.gz QASUHJSVIHQKJZ-UHFFFAOYSA-N 1 0 365.481 2.133 20 30 FEEDRO CC[NH+]1CCN(Cc2ccc(CNC(=O)c3cc(C#N)[nH]c3C)cc2)CC1 ZINC000448709037 560195506 /nfs/dbraw/zinc/19/55/06/560195506.db2.gz POGRRQDJIJQWKM-UHFFFAOYSA-N 1 0 365.481 2.262 20 30 FEEDRO Cc1c(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)nn2c1OCCC2 ZINC000448725980 560196706 /nfs/dbraw/zinc/19/67/06/560196706.db2.gz OONAWXWTHKGBCM-UHFFFAOYSA-N 1 0 367.453 2.050 20 30 FEEDRO C=CCOc1ccc(C[N@H+]2C[C@@H](C(=O)OCC)C3(COC3)C2)cc1OC ZINC000449358591 560226585 /nfs/dbraw/zinc/22/65/85/560226585.db2.gz FWMCECAUAVZGDZ-INIZCTEOSA-N 1 0 361.438 2.272 20 30 FEEDRO C=CCOc1ccc(C(F)(F)F)cc1C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000449708027 560237759 /nfs/dbraw/zinc/23/77/59/560237759.db2.gz FMDZFUHOXVUECC-ZDUSSCGKSA-N 1 0 358.360 2.379 20 30 FEEDRO CCn1ccnc(N2CCC([NH2+]Cc3ccc(C#N)c(F)c3)CC2)c1=O ZINC000449737601 560238523 /nfs/dbraw/zinc/23/85/23/560238523.db2.gz STKLQHHDKOAJIR-UHFFFAOYSA-N 1 0 355.417 2.033 20 30 FEEDRO C[NH+](C)C[C@H](O)COc1ccc(NC(=O)c2ncc(C#N)cc2Cl)cc1 ZINC000450133942 560251718 /nfs/dbraw/zinc/25/17/18/560251718.db2.gz NGWWTHAVGGMOJQ-AWEZNQCLSA-N 1 0 374.828 2.160 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000450229067 560254830 /nfs/dbraw/zinc/25/48/30/560254830.db2.gz WEAYQBIMDKFRFP-WTGUMLROSA-N 1 0 363.546 2.373 20 30 FEEDRO C[C@H](c1ccccc1)[C@H](O)CN1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000450615935 560268047 /nfs/dbraw/zinc/26/80/47/560268047.db2.gz QDGIKWNMMUDTAH-WEMWZYORSA-N 1 0 361.445 2.496 20 30 FEEDRO CC(=O)N1CCC[N@H+](C[C@H]2CCCN(c3nc(C)ccc3C#N)C2)CC1 ZINC000450772317 560272888 /nfs/dbraw/zinc/27/28/88/560272888.db2.gz KWKDGJPNQIZGGQ-GOSISDBHSA-N 1 0 355.486 2.032 20 30 FEEDRO C[NH+]1CCC(N(Cc2ccco2)S(=O)(=O)CC2(CC#N)CC2)CC1 ZINC000451021091 560282943 /nfs/dbraw/zinc/28/29/43/560282943.db2.gz OLJVZJVRVCQKCH-UHFFFAOYSA-N 1 0 351.472 2.199 20 30 FEEDRO C[N@@H+]1CC[C@@H]2CCN(S(=O)(=O)c3ccc(CC#N)cc3Cl)[C@@H]2C1 ZINC000451382677 560303748 /nfs/dbraw/zinc/30/37/48/560303748.db2.gz ITABEZXUSLFEGR-UKRRQHHQSA-N 1 0 353.875 2.121 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H](C)C(=O)Nc1sc(C)cc1C(=O)OCC ZINC000451603595 560316875 /nfs/dbraw/zinc/31/68/75/560316875.db2.gz DKTNPGRNIGHHLL-BNOWGMLFSA-N 1 0 352.456 2.493 20 30 FEEDRO CCN(C[C@H](C)C#N)C(=O)CN1CC[N@H+](Cc2ccccc2)C[C@@H](C)C1 ZINC000451703135 560323357 /nfs/dbraw/zinc/32/33/57/560323357.db2.gz DOCRMHOTMOEOHG-RTBURBONSA-N 1 0 356.514 2.448 20 30 FEEDRO COc1cc(C[N@@H+]2C[C@@H](O)[C@H](OC)C2)ccc1OCc1cccc(C#N)c1 ZINC000451755271 560326706 /nfs/dbraw/zinc/32/67/06/560326706.db2.gz DRJDUTOTCKMGNV-WIYYLYMNSA-N 1 0 368.433 2.337 20 30 FEEDRO CC(C)[C@](C)(C#N)NC(=O)CN(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000452120550 560352437 /nfs/dbraw/zinc/35/24/37/560352437.db2.gz RRDIUZCOXDIVAO-INIZCTEOSA-N 1 0 362.440 2.389 20 30 FEEDRO C=CCn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@H]1CC[N@@H+](C(C)C)C1 ZINC000453433048 560386580 /nfs/dbraw/zinc/38/65/80/560386580.db2.gz FWDGZEIIOXSTKE-HNNXBMFYSA-N 1 0 369.473 2.030 20 30 FEEDRO Cc1cc(C#N)cc(NC(=O)C(=O)NC[C@H](c2ccccc2)[NH+](C)C)c1 ZINC000453568162 560389079 /nfs/dbraw/zinc/38/90/79/560389079.db2.gz AXYTXSXPNCUSBW-GOSISDBHSA-N 1 0 350.422 2.224 20 30 FEEDRO CC(C)C[C@H](CNC(=O)C(=O)Nc1ccc(CC#N)cc1Cl)[NH+](C)C ZINC000453572078 560389193 /nfs/dbraw/zinc/38/91/93/560389193.db2.gz NKBLLXCKIDIKAK-CQSZACIVSA-N 1 0 364.877 2.437 20 30 FEEDRO CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)CC1 ZINC000453584111 560389728 /nfs/dbraw/zinc/38/97/28/560389728.db2.gz OOEQVDOHSVNTDA-UHFFFAOYSA-N 1 0 372.469 2.275 20 30 FEEDRO C[NH+](C)C[C@@H](NC(=O)C(=O)Nc1cccc(CC#N)c1)c1ccccc1 ZINC000453592959 560390121 /nfs/dbraw/zinc/39/01/21/560390121.db2.gz RVBSNDGCSBOWJD-GOSISDBHSA-N 1 0 350.422 2.110 20 30 FEEDRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)Nc1ccc(CC#N)cc1Cl ZINC000453622023 560391686 /nfs/dbraw/zinc/39/16/86/560391686.db2.gz APDQJUYBXPQJGT-GFCCVEGCSA-N 1 0 350.850 2.191 20 30 FEEDRO C[C@H]1CN(C(=O)C(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)C[C@@H]1[NH+](C)C ZINC000453672762 560395456 /nfs/dbraw/zinc/39/54/56/560395456.db2.gz LMYKFYILRXWNTO-BBRMVZONSA-N 1 0 372.469 2.083 20 30 FEEDRO Cc1cc(C#N)cc(NC(=O)C(=O)N2CC[NH+](C3CCCCC3)CC2)c1 ZINC000453674047 560395614 /nfs/dbraw/zinc/39/56/14/560395614.db2.gz NFESMHDTVOCXTN-UHFFFAOYSA-N 1 0 354.454 2.282 20 30 FEEDRO C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(CC#N)cc2Cl)CC1 ZINC000453758986 560402120 /nfs/dbraw/zinc/40/21/20/560402120.db2.gz ROEWOHKWTWGNJV-CQSZACIVSA-N 1 0 362.861 2.287 20 30 FEEDRO CC(C)(C#N)c1ccc(NC(=O)C(=O)NCC[N@@H+]2CCCC2(C)C)cc1 ZINC000454065696 560426116 /nfs/dbraw/zinc/42/61/16/560426116.db2.gz GFRXBRNANOYFHH-UHFFFAOYSA-N 1 0 356.470 2.417 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCC(OCC[NH+](CC)CC)CC1 ZINC000455435574 560482192 /nfs/dbraw/zinc/48/21/92/560482192.db2.gz QEVCNPGCXXLPLU-MSOLQXFVSA-N 1 0 353.507 2.252 20 30 FEEDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NCc1ccc(C#N)c(F)c1 ZINC000455550396 560486636 /nfs/dbraw/zinc/48/66/36/560486636.db2.gz VZCAOTSFMZRORK-CQSZACIVSA-N 1 0 360.433 2.092 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc2ncnn2c1 ZINC000455877710 560498843 /nfs/dbraw/zinc/49/88/43/560498843.db2.gz OUYQJNJSYKBMRP-UHFFFAOYSA-N 1 0 363.425 2.197 20 30 FEEDRO CC1CC[NH+](C[C@H](O)CNC(=O)C(C)(C)Cc2ccc(C#N)cc2)CC1 ZINC000455973033 560502851 /nfs/dbraw/zinc/50/28/51/560502851.db2.gz PCKOCMIUVANERK-LJQANCHMSA-N 1 0 357.498 2.336 20 30 FEEDRO CC(C)(C#N)C(=O)NCC1([NH+]2CCN(c3ccccc3)CC2)CCOCC1 ZINC000456325974 560515313 /nfs/dbraw/zinc/51/53/13/560515313.db2.gz WMNRELBGKVEWCL-UHFFFAOYSA-N 1 0 370.497 2.024 20 30 FEEDRO CC(C)(C)CC(C)(C)[NH+]1CCN(C(=O)CNc2ccc(C#N)cn2)CC1 ZINC000456698999 560529567 /nfs/dbraw/zinc/52/95/67/560529567.db2.gz SBUBHTBOXQABBB-UHFFFAOYSA-N 1 0 357.502 2.724 20 30 FEEDRO Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N(C)[C@@H]3CC[N@@H+](C(C)C)C3)C2)n1 ZINC000457142191 560552644 /nfs/dbraw/zinc/55/26/44/560552644.db2.gz ZVUBFVAGNWEAEQ-RTBURBONSA-N 1 0 369.513 2.419 20 30 FEEDRO Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N(C)[C@@H]3CC[N@@H+](C(C)C)C3)C2)n1 ZINC000457142189 560552800 /nfs/dbraw/zinc/55/28/00/560552800.db2.gz ZVUBFVAGNWEAEQ-RBUKOAKNSA-N 1 0 369.513 2.419 20 30 FEEDRO C=CCC[C@@H](CO)NC(=O)NC[C@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC000457488160 560570149 /nfs/dbraw/zinc/57/01/49/560570149.db2.gz QGFGAUPIEUREGJ-PKOBYXMFSA-N 1 0 361.486 2.458 20 30 FEEDRO C=CCC[C@H](CO)NC(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000458363091 560617143 /nfs/dbraw/zinc/61/71/43/560617143.db2.gz KFKKPADQYYQSPQ-QGZVFWFLSA-N 1 0 367.534 2.426 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1NC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000459038707 560663070 /nfs/dbraw/zinc/66/30/70/560663070.db2.gz WKTHGXJDNXGDMP-NMLBUPMWSA-N 1 0 355.482 2.493 20 30 FEEDRO C[C@@H]1C[N@@H+](C2CCN(C(=O)NCc3ccc(C#N)c(F)c3)CC2)CCO1 ZINC000459104053 560666952 /nfs/dbraw/zinc/66/69/52/560666952.db2.gz BMKVURODXAEXTA-CQSZACIVSA-N 1 0 360.433 2.092 20 30 FEEDRO CCC[C@@H]1CN(C(=O)NCc2ccc(C#N)c(F)c2)CC[N@@H+]1CCOC ZINC000459122231 560667994 /nfs/dbraw/zinc/66/79/94/560667994.db2.gz OJHCRNBFCGVZGK-QGZVFWFLSA-N 1 0 362.449 2.340 20 30 FEEDRO C[C@@H](NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)c1ccn(C)n1 ZINC000459301870 560678472 /nfs/dbraw/zinc/67/84/72/560678472.db2.gz QJDYNYONDFUADJ-MRXNPFEDSA-N 1 0 366.469 2.270 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)C(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000459867683 560715013 /nfs/dbraw/zinc/71/50/13/560715013.db2.gz MGDSKRFTTYJUDQ-UHFFFAOYSA-N 1 0 363.527 2.453 20 30 FEEDRO C=CCCCN(C)C(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1 ZINC000460055352 560731982 /nfs/dbraw/zinc/73/19/82/560731982.db2.gz HXEDTQBEWMEVQI-UHFFFAOYSA-N 1 0 367.440 2.280 20 30 FEEDRO C=C(C)Cn1c(COCC)nnc1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC000460369478 560742520 /nfs/dbraw/zinc/74/25/20/560742520.db2.gz JGVFGRDRAUVECV-INIZCTEOSA-N 1 0 363.506 2.080 20 30 FEEDRO C=C(C)Cn1c(C(=O)NC(C)C)nnc1N(C)[C@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000460379397 560742770 /nfs/dbraw/zinc/74/27/70/560742770.db2.gz HQOXRJUAJQHBOB-CVEARBPZSA-N 1 0 362.522 2.301 20 30 FEEDRO Cc1cccc(N2CC[NH+](CCCNC(=O)N[C@H]3CCC[C@@H]3C#N)CC2)c1 ZINC000461964637 560789998 /nfs/dbraw/zinc/78/99/98/560789998.db2.gz VTTZFDSYSZCMFM-QUCCMNQESA-N 1 0 369.513 2.499 20 30 FEEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cnn(-c3ncccc3C#N)c2)C[C@H]1C ZINC000462087804 560796199 /nfs/dbraw/zinc/79/61/99/560796199.db2.gz FBNSTINESUNMSL-PBHICJAKSA-N 1 0 367.457 2.475 20 30 FEEDRO COc1cc(C[N@@H+]2C[C@@H](O)C[C@@H]2CO)ccc1OCc1cccc(C#N)c1 ZINC000462339188 560806718 /nfs/dbraw/zinc/80/67/18/560806718.db2.gz XXYOPTPNOQGARX-MOPGFXCFSA-N 1 0 368.433 2.073 20 30 FEEDRO COc1cc(C#N)ccc1S(=O)(=O)N(C)CC[NH+](C(C)C)C(C)C ZINC000464219188 560836529 /nfs/dbraw/zinc/83/65/29/560836529.db2.gz VTRDBIDJQGIUCL-UHFFFAOYSA-N 1 0 353.488 2.306 20 30 FEEDRO CC[NH+](CC)CCOC1CCN(C(=O)COc2ccccc2C#N)CC1 ZINC000465253331 560861584 /nfs/dbraw/zinc/86/15/84/560861584.db2.gz LGHPICGCYYHENA-UHFFFAOYSA-N 1 0 359.470 2.286 20 30 FEEDRO C[NH+](C)CCc1ccc(CNS(=O)(=O)Cc2cccc(C#N)c2)cc1 ZINC000466830480 560896682 /nfs/dbraw/zinc/89/66/82/560896682.db2.gz GDFPWIPWEHFENM-UHFFFAOYSA-N 1 0 357.479 2.282 20 30 FEEDRO N#Cc1ccc([C@@H]([NH2+]CCCc2ccc3c(c2)OCCO3)C(N)=O)cc1 ZINC000467414976 560909803 /nfs/dbraw/zinc/90/98/03/560909803.db2.gz XLOGEWKRBILPBQ-LJQANCHMSA-N 1 0 351.406 2.078 20 30 FEEDRO N#Cc1cccc(CCNC(=O)CC[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000467779045 560917150 /nfs/dbraw/zinc/91/71/50/560917150.db2.gz ZXZNEOZCLUOKBH-UHFFFAOYSA-N 1 0 362.477 2.429 20 30 FEEDRO CC[NH+]1CCN(CCC(=O)N[C@@H](C#N)c2cccc(C(F)(F)F)c2)CC1 ZINC000468765926 560938128 /nfs/dbraw/zinc/93/81/28/560938128.db2.gz AYNLDFGJURUWCS-INIZCTEOSA-N 1 0 368.403 2.414 20 30 FEEDRO C[N@H+](CCOc1cccc(C#N)c1)C[C@@H]1C[C@H](F)CN1Cc1ncccn1 ZINC000470823337 560990811 /nfs/dbraw/zinc/99/08/11/560990811.db2.gz WSEIIPQXOSUSTI-ROUUACIJSA-N 1 0 369.444 2.271 20 30 FEEDRO C[NH+](C)CCOCCNC(=O)NC1CCC(Oc2ccccc2C#N)CC1 ZINC000471653984 561009758 /nfs/dbraw/zinc/00/97/58/561009758.db2.gz CCBTXPJTPONIOJ-UHFFFAOYSA-N 1 0 374.485 2.126 20 30 FEEDRO O=C1c2ccccc2C(=O)N1CC#CC[N@@H+]1CCCC2(CCOCC2)C1 ZINC000528388124 562326402 /nfs/dbraw/zinc/32/64/02/562326402.db2.gz IYSDJHQWDWTSJG-UHFFFAOYSA-N 1 0 352.434 2.179 20 30 FEEDRO N#CC1(C[C@H](O)C[NH+]2CCN(c3cc(C(F)(F)F)ccn3)CC2)CC1 ZINC000528451016 562329948 /nfs/dbraw/zinc/32/99/48/562329948.db2.gz KTAKHGGVWKSTEJ-AWEZNQCLSA-N 1 0 354.376 2.277 20 30 FEEDRO Cn1cc([C@@H]2C[N@H+](C[C@H](O)COc3ccccc3C#N)CC2(C)C)cn1 ZINC000528513685 562333379 /nfs/dbraw/zinc/33/33/79/562333379.db2.gz FJMBTOLGZPESMH-ROUUACIJSA-N 1 0 354.454 2.157 20 30 FEEDRO N#Cc1ccc(C2([NH2+]Cc3cc(=O)n4ccccc4n3)CCOCC2)cc1 ZINC000528778252 562347073 /nfs/dbraw/zinc/34/70/73/562347073.db2.gz HPRKFEDPRKCCOJ-UHFFFAOYSA-N 1 0 360.417 2.362 20 30 FEEDRO COCc1ccc(NC(=O)N2CCC([N@H+](C)CCCO)CC2)cc1C#N ZINC000529212348 562365034 /nfs/dbraw/zinc/36/50/34/562365034.db2.gz IQDFHAJGIJBCFD-UHFFFAOYSA-N 1 0 360.458 2.015 20 30 FEEDRO CC(C)[C@H]1CN(C(=O)[C@@H](C)n2cnc(C#N)n2)CC[N@@H+]1Cc1ccccc1 ZINC000529806193 562386250 /nfs/dbraw/zinc/38/62/50/562386250.db2.gz ZPFQLSDEQKDNCR-SJLPKXTDSA-N 1 0 366.469 2.080 20 30 FEEDRO C[C@@H]1C[C@H]([NH2+]C[C@@H](O)COc2ccccc2C#N)C(=O)N1c1ccccc1 ZINC000530230851 562403045 /nfs/dbraw/zinc/40/30/45/562403045.db2.gz KJMASJHKZPJDKG-LZQZEXGQSA-N 1 0 365.433 2.082 20 30 FEEDRO N#Cc1ccccc1OC[C@H](O)C[NH2+]C1CCC(O)(c2cccnc2)CC1 ZINC000530233590 562403185 /nfs/dbraw/zinc/40/31/85/562403185.db2.gz XXQRVOVWPJGVLQ-OBXNSHGQSA-N 1 0 367.449 2.113 20 30 FEEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)C[C@@H]1C ZINC000531012693 562431835 /nfs/dbraw/zinc/43/18/35/562431835.db2.gz HIXHSHJULDEJMD-SWLSCSKDSA-N 1 0 362.861 2.481 20 30 FEEDRO N#Cc1ccccc1OCC[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000532706677 562486116 /nfs/dbraw/zinc/48/61/16/562486116.db2.gz ZWTPRLJBVPGGIP-OAHLLOKOSA-N 1 0 353.382 2.427 20 30 FEEDRO CCN(CC)C(=O)C1([NH2+]CC(=O)NCc2cccc(C#N)c2)CCCCC1 ZINC000532710619 562486308 /nfs/dbraw/zinc/48/63/08/562486308.db2.gz NBZHVOLPRFIKNZ-UHFFFAOYSA-N 1 0 370.497 2.335 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N(C)C[C@@H]1CCN(C(C)=O)C1)C(C)C ZINC000534376533 562532925 /nfs/dbraw/zinc/53/29/25/562532925.db2.gz GPSWTCMXGPHFSM-OALUTQOASA-N 1 0 364.534 2.195 20 30 FEEDRO C[C@H]1CC[N@H+](C)CCN1C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000535079288 562550613 /nfs/dbraw/zinc/55/06/13/562550613.db2.gz LMWSFZPRUMCDLE-ZLPCBKJTSA-N 1 0 371.485 2.379 20 30 FEEDRO COc1ccc2c(c1)CC[N@@H+](C[C@@H](O)COc1ccc(C#N)cc1)CC2 ZINC000535549843 562560943 /nfs/dbraw/zinc/56/09/43/562560943.db2.gz MUNPHWLTPGXJLG-LJQANCHMSA-N 1 0 352.434 2.407 20 30 FEEDRO Cn1cc([C@@H]([NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)C(C)(C)C)cn1 ZINC000537174969 562587150 /nfs/dbraw/zinc/58/71/50/562587150.db2.gz KSYSXOKBVRBUIC-QGZVFWFLSA-N 1 0 360.483 2.442 20 30 FEEDRO Cc1c2cc(C#N)ccc2sc1C(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000555937084 674381763 /nfs/dbraw/zinc/38/17/63/674381763.db2.gz BBVYOIRVBQMUQR-ZDUSSCGKSA-N 1 0 356.495 2.447 20 30 FEEDRO CN(C(=O)C(=O)Nc1ccc(OCCC[NH+](C)C)cc1)[C@H]1CCC[C@H]1C#N ZINC000602078574 567918204 /nfs/dbraw/zinc/91/82/04/567918204.db2.gz WYEFKLQAJUCDTL-YJBOKZPZSA-N 1 0 372.469 2.106 20 30 FEEDRO N#CCCN1CCN(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)CC1 ZINC000602224599 567957166 /nfs/dbraw/zinc/95/71/66/567957166.db2.gz LXUOXYNAQYBWAB-KRWDZBQOSA-N 1 0 359.474 2.047 20 30 FEEDRO CC(C)N1C[C@@H](NC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)CC1=O ZINC000330262963 567959062 /nfs/dbraw/zinc/95/90/62/567959062.db2.gz VXGWYCVZFSSUED-IBGZPJMESA-N 1 0 372.513 2.412 20 30 FEEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]CCN1CCN(c2ccccc2)CC1 ZINC000602512886 567989411 /nfs/dbraw/zinc/98/94/11/567989411.db2.gz ZXAWBPVKDNZMRW-IBGZPJMESA-N 1 0 356.514 2.497 20 30 FEEDRO COCCOCCOc1ccc(C[N@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)cc1 ZINC000602855082 568002223 /nfs/dbraw/zinc/00/22/23/568002223.db2.gz RRRMZPPIBNBZAR-HDICACEKSA-N 1 0 361.486 2.147 20 30 FEEDRO COC(=O)[C@@]1(C)C[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2)C[C@@H]1C ZINC000602933083 568019990 /nfs/dbraw/zinc/01/99/90/568019990.db2.gz ZRCQMIIJUPGZHT-FTRWYGJKSA-N 1 0 357.454 2.453 20 30 FEEDRO CN(CC(=O)NCc1ccc(C(=O)N2CCCC2)cc1)[C@@H]1CCC[C@@H]1C#N ZINC000602975382 568035903 /nfs/dbraw/zinc/03/59/03/568035903.db2.gz AETOOMGBNMPNOO-RTBURBONSA-N 1 0 368.481 2.163 20 30 FEEDRO C[C@@H]1C[N@@H+](Cc2ccc(OCc3nccn3C)cc2)C[C@H](C)N1CC#N ZINC000602863176 568050040 /nfs/dbraw/zinc/05/00/40/568050040.db2.gz OZEVKSVMIOUMIG-CALCHBBNSA-N 1 0 353.470 2.417 20 30 FEEDRO C[C@@H](C(=O)N(CCC#N)c1ccccc1)n1cc(C2CC[NH2+]CC2)nn1 ZINC000603177924 568068142 /nfs/dbraw/zinc/06/81/42/568068142.db2.gz QZBZCLWQMIGNPF-HNNXBMFYSA-N 1 0 352.442 2.253 20 30 FEEDRO Cc1cc(C)cc(N(CCC#N)C(=O)Cn2cc(C3CC[NH2+]CC3)nn2)c1 ZINC000603186916 568071577 /nfs/dbraw/zinc/07/15/77/568071577.db2.gz LPURZWSQWZUQTH-UHFFFAOYSA-N 1 0 366.469 2.309 20 30 FEEDRO CN(C)C(=O)C1(CNC(=O)NCC2CC[NH+](C3CC3)CC2)CCCC1 ZINC000330281353 568101708 /nfs/dbraw/zinc/10/17/08/568101708.db2.gz UMISULWESHERSA-UHFFFAOYSA-N 1 0 350.507 2.013 20 30 FEEDRO N#CCc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H](c3ccncn3)C2)cc1 ZINC000603842987 568155438 /nfs/dbraw/zinc/15/54/38/568155438.db2.gz VWYHPYQKLQWPHT-ZWKOTPCHSA-N 1 0 352.438 2.162 20 30 FEEDRO C=CCc1cc(CNC(=O)N[C@H]2CC[N@@H+](C3CC3)C2)cc(OC)c1OC ZINC000604185439 568222556 /nfs/dbraw/zinc/22/25/56/568222556.db2.gz NGCFTEKQZMXZJJ-INIZCTEOSA-N 1 0 359.470 2.468 20 30 FEEDRO C[NH+]1CCN(c2ccc(NC(=O)[C@@H]3C[C@H]3c3cccc(C#N)c3)nc2)CC1 ZINC000569197859 568310222 /nfs/dbraw/zinc/31/02/22/568310222.db2.gz BPVYXZFLPLAUNC-RBUKOAKNSA-N 1 0 361.449 2.447 20 30 FEEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]CCNS(=O)(=O)Cc1ccon1 ZINC000569301572 568346318 /nfs/dbraw/zinc/34/63/18/568346318.db2.gz LOFRRADWQIWPJT-GOSISDBHSA-N 1 0 374.466 2.023 20 30 FEEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+]Cc2ccc(N3CCCC3)nc2)c1 ZINC000569568187 568408048 /nfs/dbraw/zinc/40/80/48/568408048.db2.gz GYJPXHOAJPVPFN-UHFFFAOYSA-N 1 0 370.478 2.117 20 30 FEEDRO CC1(CNC(=O)NC2CCC(Oc3ncccc3C#N)CC2)CC[NH2+]CC1 ZINC000570307289 568474796 /nfs/dbraw/zinc/47/47/96/568474796.db2.gz SFQUFOBUCGSMQL-UHFFFAOYSA-N 1 0 371.485 2.332 20 30 FEEDRO COC(=O)c1cccc(CN2CC[C@@H](C(F)(F)F)[C@H](CO)C2)c1C#N ZINC000556829118 674423087 /nfs/dbraw/zinc/42/30/87/674423087.db2.gz XFXGNGCEIXEXRX-SWLSCSKDSA-N 1 0 356.344 2.338 20 30 FEEDRO CC[NH+](CC)CC#C[C@@H](C)OC(=O)CCc1ccc(-c2nn[nH]n2)cc1 ZINC000821181705 607322513 /nfs/dbraw/zinc/32/25/13/607322513.db2.gz OTITWSINUCPLKU-OAHLLOKOSA-N 1 0 355.442 2.076 20 30 FEEDRO C[N@H+](CC1CC1)C[C@@H]1CCN(S(=O)(=O)c2ccc(C#N)c(F)c2)C1 ZINC000557599263 674456782 /nfs/dbraw/zinc/45/67/82/674456782.db2.gz AWONLYGDTSLLNX-AWEZNQCLSA-N 1 0 351.447 2.050 20 30 FEEDRO C[C@H](c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000736198430 599307260 /nfs/dbraw/zinc/30/72/60/599307260.db2.gz IJFZUQSJMLBFNN-CQSZACIVSA-N 1 0 360.425 2.017 20 30 FEEDRO C[C@H]([NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1)C(=O)Nc1ccccc1C#N ZINC000820410054 599389524 /nfs/dbraw/zinc/38/95/24/599389524.db2.gz CLDXEOWUINGQKG-STQMWFEESA-N 1 0 361.409 2.416 20 30 FEEDRO C=CCNC(=O)[C@H](C)[N@@H+]1CC2CCC1(CNC(=O)OC(C)(C)C)CC2 ZINC000809568384 674498096 /nfs/dbraw/zinc/49/80/96/674498096.db2.gz MTTBDCXAXNSTLD-XVTSOASTSA-N 1 0 351.491 2.446 20 30 FEEDRO N#CC1(NC(=O)CN[C@H]2CCOc3c(Br)cccc32)CCC1 ZINC000558613117 674506661 /nfs/dbraw/zinc/50/66/61/674506661.db2.gz PDRUXLYPBGPDDE-ZDUSSCGKSA-N 1 0 364.243 2.425 20 30 FEEDRO C#C[C@@H]([NH2+]C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1)C(C)(C)C ZINC000809781061 674509652 /nfs/dbraw/zinc/50/96/52/674509652.db2.gz FZFWAGDCWWMQIE-GOSISDBHSA-N 1 0 364.511 2.486 20 30 FEEDRO CC(C)[NH+]1CCN(C2CC[NH+]([C@@H](C(=O)[O-])c3ccc(C#N)cc3)CC2)CC1 ZINC000833499350 604938903 /nfs/dbraw/zinc/93/89/03/604938903.db2.gz NUTFPCBEFBSGAO-HXUWFJFHSA-N 1 0 370.497 2.174 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H](c2cccs2)C2CC2)CC1 ZINC000559482821 674545125 /nfs/dbraw/zinc/54/51/25/674545125.db2.gz QZPIRXVEUZUKMO-QGZVFWFLSA-N 1 0 361.511 2.472 20 30 FEEDRO Cc1oc(NC(=O)C[NH2+][C@H](C)c2ccc(-c3nn[nH]n3)cc2)c(C#N)c1C ZINC000826342163 608464532 /nfs/dbraw/zinc/46/45/32/608464532.db2.gz ZMUOKQUSDXBNSC-LLVKDONJSA-N 1 0 365.397 2.238 20 30 FEEDRO COc1cc(-c2nn[nH]n2)ccc1OCC[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000826176449 608468941 /nfs/dbraw/zinc/46/89/41/608468941.db2.gz QBCCIMOABVTQRM-ZDUSSCGKSA-N 1 0 364.409 2.477 20 30 FEEDRO C[C@H]([NH2+]CC(=O)N(C)C1(C#N)CCCCC1)c1cccc(-c2nn[nH]n2)c1 ZINC000824555506 608485828 /nfs/dbraw/zinc/48/58/28/608485828.db2.gz WXIHGVDYZHLNAE-AWEZNQCLSA-N 1 0 367.457 2.202 20 30 FEEDRO COc1cc(-c2nn[nH]n2)ccc1OCC[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000826176546 608492815 /nfs/dbraw/zinc/49/28/15/608492815.db2.gz UFDLTGWTLNDWOK-CYBMUJFWSA-N 1 0 364.409 2.477 20 30 FEEDRO C#CCOc1ccccc1C[NH+]1CCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000823861605 608514243 /nfs/dbraw/zinc/51/42/43/608514243.db2.gz NZTNWYNSQNHPOR-UHFFFAOYSA-N 1 0 374.448 2.201 20 30 FEEDRO CC[NH+](CC)CCN1c2ccccc2C(=NNC[C@H]2CCSC2)C1=O ZINC000811661262 674619223 /nfs/dbraw/zinc/61/92/23/674619223.db2.gz HREQTFLXRQOQIS-OAHLLOKOSA-N 1 0 360.527 2.422 20 30 FEEDRO COc1ccc(CNC(=O)NCC2(SC)CC[NH+](C)CC2)cc1C#N ZINC000811895856 674636670 /nfs/dbraw/zinc/63/66/70/674636670.db2.gz BHAGQRGXDIKQSH-UHFFFAOYSA-N 1 0 362.499 2.193 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N(C)[C@@H]1CC(C)(C)OC1=O)C(C)C ZINC000813582093 674760393 /nfs/dbraw/zinc/76/03/93/674760393.db2.gz FOPGPVFNHYZDQX-CVEARBPZSA-N 1 0 351.491 2.421 20 30 FEEDRO C#CCNC(=O)CC[NH2+][C@H](C)c1cc2c(cc1Br)OCCO2 ZINC000815081340 674913320 /nfs/dbraw/zinc/91/33/20/674913320.db2.gz ABGMKSOJJVGGEY-LLVKDONJSA-N 1 0 367.243 2.010 20 30 FEEDRO CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)CCN1c1ncc(C#N)cc1Cl ZINC001048710820 675013407 /nfs/dbraw/zinc/01/34/07/675013407.db2.gz IXGAWHIAXGWMGC-CWRNSKLLSA-N 1 0 361.877 2.032 20 30 FEEDRO C=C(Br)CN1C[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C[C@@H]2C1 ZINC001048827826 675015903 /nfs/dbraw/zinc/01/59/03/675015903.db2.gz IJKJNWABDXDZLL-XUWVNRHRSA-N 1 0 370.335 2.016 20 30 FEEDRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)C(=O)c3cnn(C)c3C#N)C2)s1 ZINC000565093596 675094217 /nfs/dbraw/zinc/09/42/17/675094217.db2.gz NOQQNENFDRVYKW-CQSZACIVSA-N 1 0 357.483 2.256 20 30 FEEDRO C[C@@H]1CN([C@@H](CNC(=[NH2+])NC2CC2)c2c(F)cccc2Cl)CCO1 ZINC000066243216 670439068 /nfs/dbraw/zinc/43/90/68/670439068.db2.gz PHCUJPRLHZTFBT-ABAIWWIYSA-N 1 0 354.857 2.308 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000084599911 670671737 /nfs/dbraw/zinc/67/17/37/670671737.db2.gz YKNVXJFODFCQEN-HNNXBMFYSA-N 1 0 364.511 2.350 20 30 FEEDRO C[NH+]=C(NCC[S@@](=O)C(C)(C)C)N1CCN(c2ccc(F)cc2)CC1 ZINC000088667152 670692898 /nfs/dbraw/zinc/69/28/98/670692898.db2.gz ROSHAXMRGDYQQR-VWLOTQADSA-N 1 0 368.522 2.070 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)cc1Br ZINC000572761763 671042131 /nfs/dbraw/zinc/04/21/31/671042131.db2.gz DUSJPCUYTWYIIO-CMPLNLGQSA-N 1 0 372.288 2.117 20 30 FEEDRO CN(CCC#N)C[C@@H](O)C[NH2+]Cc1cc2cc(Br)ccc2[nH]1 ZINC000573200415 671093966 /nfs/dbraw/zinc/09/39/66/671093966.db2.gz RJGYNGUXTGGHSX-HNNXBMFYSA-N 1 0 365.275 2.226 20 30 FEEDRO N#Cc1ccccc1CSCCNC(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000573223536 671096906 /nfs/dbraw/zinc/09/69/06/671096906.db2.gz DFTTUCXONYSMFF-CGTJXYLNSA-N 1 0 358.511 2.479 20 30 FEEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1 ZINC000573528610 671133435 /nfs/dbraw/zinc/13/34/35/671133435.db2.gz DEJIWLMTXPVVDH-APHBMKBZSA-N 1 0 364.877 2.075 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+]C[C@H]2CSc3ccccc32)nc1 ZINC000566120958 675183608 /nfs/dbraw/zinc/18/36/08/675183608.db2.gz ZZMGDFYSFQYBDU-AWEZNQCLSA-N 1 0 359.476 2.206 20 30 FEEDRO C=CCn1cc(CNC(=O)NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)nn1 ZINC000566142417 675185698 /nfs/dbraw/zinc/18/56/98/675185698.db2.gz CLADMDGCUQWRQA-MRXNPFEDSA-N 1 0 362.865 2.220 20 30 FEEDRO N#CCCC[C@@H]([NH3+])C(=O)N1CCO[C@H](c2ccccc2Br)C1 ZINC000818101849 675196271 /nfs/dbraw/zinc/19/62/71/675196271.db2.gz XGPALQNEYBNTGJ-CABCVRRESA-N 1 0 366.259 2.370 20 30 FEEDRO CC(C)c1noc(CCC[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)n1 ZINC000576816272 671396732 /nfs/dbraw/zinc/39/67/32/671396732.db2.gz UALAZNOMTIQSBA-UHFFFAOYSA-N 1 0 362.455 2.061 20 30 FEEDRO N#C[C@H]1CN(C(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)CCO1 ZINC000609282038 675916726 /nfs/dbraw/zinc/91/67/26/675916726.db2.gz QZJHRPVXAMIUKZ-YOEHRIQHSA-N 1 0 362.861 2.411 20 30 FEEDRO CC(C)C[C@H](CNS(=O)(=O)N(C)CCC#N)[NH2+][C@H](C)c1ccccc1 ZINC000609545886 675925732 /nfs/dbraw/zinc/92/57/32/675925732.db2.gz RMEVTPTXJYFVEZ-SJLPKXTDSA-N 1 0 366.531 2.432 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N(CC[NH+]2CCCCCC2)C2CCC2)cn1 ZINC000578152772 671644981 /nfs/dbraw/zinc/64/49/81/671644981.db2.gz CHZFYQVQQHXWCH-UHFFFAOYSA-N 1 0 362.499 2.372 20 30 FEEDRO N#CCCC[C@H]([NH3+])C(=O)NCCNc1ncc(C(F)(F)F)cc1Cl ZINC000578502065 671669868 /nfs/dbraw/zinc/66/98/68/671669868.db2.gz FWOPUDLSGNWMKA-NSHDSACASA-N 1 0 363.771 2.303 20 30 FEEDRO CN(CCC#N)C[C@@H](O)C[NH2+][C@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000578981658 671703303 /nfs/dbraw/zinc/70/33/03/671703303.db2.gz RLIVZCCZPPOOOP-GJZGRUSLSA-N 1 0 371.312 2.368 20 30 FEEDRO Cc1ncc(S(=O)(=O)NC[C@H]([NH3+])c2ccc(C(C)C)cc2)cc1C#N ZINC000579615760 671748827 /nfs/dbraw/zinc/74/88/27/671748827.db2.gz RVNCBLZCSQGIID-SFHVURJKSA-N 1 0 358.467 2.363 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+]CC2(Cc3ccccc3)CC2)nc1 ZINC000579701506 671754264 /nfs/dbraw/zinc/75/42/64/671754264.db2.gz ICQAKYSEBKQDRI-UHFFFAOYSA-N 1 0 355.463 2.339 20 30 FEEDRO N#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@H](n3ccnn3)C2)cc1Cl ZINC000580437778 671807437 /nfs/dbraw/zinc/80/74/37/671807437.db2.gz WVHCMCYKKAJNSJ-HNNXBMFYSA-N 1 0 358.833 2.469 20 30 FEEDRO CN(C)C(=[NH+]Cc1ccc(Br)cc1N1CCOCC1)N(C)C ZINC000119556595 671902592 /nfs/dbraw/zinc/90/25/92/671902592.db2.gz MVTQCGHSTPCBAL-UHFFFAOYSA-N 1 0 369.307 2.265 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)cc1F ZINC000581979314 671955082 /nfs/dbraw/zinc/95/50/82/671955082.db2.gz CYRASOCRDKPQFS-HNNXBMFYSA-N 1 0 351.447 2.336 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H](CO)CC2CCCCC2)cc1 ZINC000582725974 672029000 /nfs/dbraw/zinc/02/90/00/672029000.db2.gz IKHOQZZKXSOREV-QGZVFWFLSA-N 1 0 350.484 2.253 20 30 FEEDRO C=CCCCN(C)C(=O)C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000582804194 672035487 /nfs/dbraw/zinc/03/54/87/672035487.db2.gz LSFHTZYOBSGCML-UHFFFAOYSA-N 1 0 367.559 2.279 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1cc(S(C)(=O)=O)ccc1Cl ZINC000129028029 672056115 /nfs/dbraw/zinc/05/61/15/672056115.db2.gz BYYZSSIXWLNYHZ-UHFFFAOYSA-N 1 0 371.890 2.051 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H](C)c2csc(CC)n2)CC1 ZINC000583339258 672085777 /nfs/dbraw/zinc/08/57/77/672085777.db2.gz CBESADHPYFCELF-CYBMUJFWSA-N 1 0 364.515 2.039 20 30 FEEDRO CN(CCC#N)C(=O)CC[N@@H+]1CCCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000131404059 672087694 /nfs/dbraw/zinc/08/76/94/672087694.db2.gz RSSTXRVOLDPSGO-OAHLLOKOSA-N 1 0 352.479 2.128 20 30 FEEDRO C#CCOc1ccc(Br)cc1C[NH2+]C[C@H](O)COCC1CC1 ZINC000131576813 672089640 /nfs/dbraw/zinc/08/96/40/672089640.db2.gz MAJLNBYVEURBES-INIZCTEOSA-N 1 0 368.271 2.338 20 30 FEEDRO CCC[N@H+](CC)CCNS(=O)(=O)c1cccc(Br)c1C#N ZINC000583398603 672091074 /nfs/dbraw/zinc/09/10/74/672091074.db2.gz BNSJCVDNMYDPDD-UHFFFAOYSA-N 1 0 374.304 2.331 20 30 FEEDRO N#Cc1ccc(CN2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c(OC(F)F)c1 ZINC000610613781 675984307 /nfs/dbraw/zinc/98/43/07/675984307.db2.gz MAEQDXZZSGGVKR-HOTGVXAUSA-N 1 0 351.397 2.191 20 30 FEEDRO CCc1nsc(N2CCN(C(NCc3ccc(C)s3)=[NH+]C)CC2)n1 ZINC000153160114 672194102 /nfs/dbraw/zinc/19/41/02/672194102.db2.gz CKGLNHZWXZZSGL-UHFFFAOYSA-N 1 0 364.544 2.368 20 30 FEEDRO COc1cc(CNC(=[NH2+])NC[C@H]2CCCO2)ccc1OCC(F)(F)F ZINC000161517001 672297746 /nfs/dbraw/zinc/29/77/46/672297746.db2.gz XTRPJLXGNDXVHT-GFCCVEGCSA-N 1 0 361.364 2.220 20 30 FEEDRO CC(C)(C)NC(=[NH2+])NCc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000170914672 672326977 /nfs/dbraw/zinc/32/69/77/672326977.db2.gz BRNSHIJHYUQCLV-UHFFFAOYSA-N 1 0 351.252 2.437 20 30 FEEDRO COCCNC(=[NH2+])NC[C@H](c1ccccc1)N1CCc2sccc2C1 ZINC000171144506 672329865 /nfs/dbraw/zinc/32/98/65/672329865.db2.gz KFEXKYMCTHASHI-QGZVFWFLSA-N 1 0 358.511 2.398 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)NCCCN(C)C(=O)OC(C)(C)C)CC1 ZINC000171714748 672335096 /nfs/dbraw/zinc/33/50/96/672335096.db2.gz RPHLNKGKIHAEBO-UHFFFAOYSA-N 1 0 354.495 2.193 20 30 FEEDRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)c1c(Cl)cc(C#N)cc1Cl ZINC000611094688 676016753 /nfs/dbraw/zinc/01/67/53/676016753.db2.gz VBUOITFMJAMJDC-LLVKDONJSA-N 1 0 355.269 2.231 20 30 FEEDRO CN(C)C(=O)Nc1ccc(Cl)c(C(=O)NC2(C#N)CC[NH+](C)CC2)c1 ZINC000611032219 676013149 /nfs/dbraw/zinc/01/31/49/676013149.db2.gz MEBZIFIQNFCXNA-UHFFFAOYSA-N 1 0 363.849 2.151 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2CCC(C[NH+]3CCCCCC3)CC2)o1 ZINC000588110769 672450275 /nfs/dbraw/zinc/45/02/75/672450275.db2.gz WLBQHXCGYVAXDP-UHFFFAOYSA-N 1 0 351.472 2.428 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)COc2cc(C)ccc2Cl)c1C#N ZINC000611166581 676022297 /nfs/dbraw/zinc/02/22/97/676022297.db2.gz UEPHMQSLBNBMNB-UHFFFAOYSA-N 1 0 361.833 2.413 20 30 FEEDRO CSC1(CNC(=O)NCc2ccc(C#N)cc2F)CC[NH+](C)CC1 ZINC000589628689 672536114 /nfs/dbraw/zinc/53/61/14/672536114.db2.gz WBGQPRPNDHMHDN-UHFFFAOYSA-N 1 0 350.463 2.324 20 30 FEEDRO CC(C)CS(=O)(=O)N1CCC([NH2+]Cc2cccc(F)c2C#N)CC1 ZINC000589821371 672542484 /nfs/dbraw/zinc/54/24/84/672542484.db2.gz RABVHAMTDILJFW-UHFFFAOYSA-N 1 0 353.463 2.237 20 30 FEEDRO C[N@@H+]1C[C@H]2CCN(CC(=O)Nc3sc4c(c3C#N)CCCCC4)[C@@H]2C1 ZINC000590012740 672554633 /nfs/dbraw/zinc/55/46/33/672554633.db2.gz XDOBZISKBHEFMJ-CZUORRHYSA-N 1 0 358.511 2.463 20 30 FEEDRO C[N@@H+]1C[C@@H]2CCN(CCC(=O)Nc3sc4c(c3C#N)CCCC4)[C@@H]2C1 ZINC000590010711 672554697 /nfs/dbraw/zinc/55/46/97/672554697.db2.gz BYSIAHYLNUKLTM-XJKSGUPXSA-N 1 0 358.511 2.463 20 30 FEEDRO C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)Nc3scc(C(C)(C)C)c3C#N)C[C@@H]21 ZINC000590791602 672618632 /nfs/dbraw/zinc/61/86/32/672618632.db2.gz ILOMJVQZWGIKDA-RISCZKNCSA-N 1 0 360.483 2.018 20 30 FEEDRO CC(C)(CO)[NH+]1CCN(Cc2ccc(C#N)cc2Br)CC1 ZINC000611500640 676041064 /nfs/dbraw/zinc/04/10/64/676041064.db2.gz DYCXJSHJWGXJKR-UHFFFAOYSA-N 1 0 352.276 2.209 20 30 FEEDRO Cc1nnc([C@H]2CC[N@H+](CCC(=O)Nc3ccc(C#N)c(Cl)c3)C2)[nH]1 ZINC000591053836 672645100 /nfs/dbraw/zinc/64/51/00/672645100.db2.gz WMACEKFHQNTDDM-ZDUSSCGKSA-N 1 0 358.833 2.456 20 30 FEEDRO N#Cc1ccc(-n2ccc(NC(=O)N[C@@H]3CCC[NH2+]CC3)n2)c(Cl)c1 ZINC000591297792 672667052 /nfs/dbraw/zinc/66/70/52/672667052.db2.gz VJXOYHFBOFNBJN-CYBMUJFWSA-N 1 0 358.833 2.661 20 30 FEEDRO C[S@@](=O)c1ccc(C[NH2+]C[C@H](O)COc2ccc(CC#N)cc2)cc1 ZINC000591750281 672708175 /nfs/dbraw/zinc/70/81/75/672708175.db2.gz YKKYNOREBJCVLS-SSOJOUAXSA-N 1 0 358.463 2.020 20 30 FEEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+][C@@H]2CCc3cc(O)ccc3C2)c1 ZINC000591763587 672708997 /nfs/dbraw/zinc/70/89/97/672708997.db2.gz LSEIVKNZUKDXMG-QGZVFWFLSA-N 1 0 356.447 2.185 20 30 FEEDRO C[NH+]1CCC2(CC1)CN(c1ncc(Br)cc1C#N)CCO2 ZINC000591992579 672730716 /nfs/dbraw/zinc/73/07/16/672730716.db2.gz QIZWUUHZBISHNO-UHFFFAOYSA-N 1 0 351.248 2.017 20 30 FEEDRO C[C@@H](CC(=O)N(CCC#N)CCC[NH+](C)C)n1cc(Br)cn1 ZINC000592753840 672833803 /nfs/dbraw/zinc/83/38/03/672833803.db2.gz VSZGFRSEMVOERG-ZDUSSCGKSA-N 1 0 370.295 2.291 20 30 FEEDRO N#C[C@@H](c1cccs1)N1CCN(C(=O)C[NH2+]C2(C3CCC3)CC2)CC1 ZINC000593082992 672873304 /nfs/dbraw/zinc/87/33/04/672873304.db2.gz TWLZQPHDQNXFKN-INIZCTEOSA-N 1 0 358.511 2.379 20 30 FEEDRO COC(=O)[C@@H]1C[N@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@H]1C1CC1 ZINC000593132349 672881050 /nfs/dbraw/zinc/88/10/50/672881050.db2.gz UFKKRQLVTNPBNM-LSDHHAIUSA-N 1 0 361.829 2.281 20 30 FEEDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)Cc1ccc(Br)cc1C#N ZINC000593175176 672886814 /nfs/dbraw/zinc/88/68/14/672886814.db2.gz FCNUTJMSWUOZSA-HNNXBMFYSA-N 1 0 350.260 2.416 20 30 FEEDRO CC(C)(C)NC(=[NH2+])NCCOc1ccc(I)cc1 ZINC000261762103 672902526 /nfs/dbraw/zinc/90/25/26/672902526.db2.gz LVDGHBNUPDQDNI-UHFFFAOYSA-N 1 0 361.227 2.373 20 30 FEEDRO C[NH+]=C(NC[C@]1(C)CCCC[C@@H]1O)N1CCN([C@@H](C)C(F)(F)F)CC1 ZINC000261812062 672903511 /nfs/dbraw/zinc/90/35/11/672903511.db2.gz JPLYJBJEYHRMPS-DZKIICNBSA-N 1 0 364.456 2.071 20 30 FEEDRO C[NH+]=C(NCc1ccc(-n2nc(C)cc2C)nc1)NC[C@@H]1CCCS1 ZINC000261957244 672906072 /nfs/dbraw/zinc/90/60/72/672906072.db2.gz JDERCKZNZCTYNA-INIZCTEOSA-N 1 0 358.515 2.445 20 30 FEEDRO CN(C)C(=O)CNC(N[C@@H]1CCO[C@@H](C(C)(C)C)C1)=[NH+]C1CCCC1 ZINC000262250088 672911884 /nfs/dbraw/zinc/91/18/84/672911884.db2.gz BTFGUHWVZHWOFW-HZPDHXFCSA-N 1 0 352.523 2.146 20 30 FEEDRO [NH2+]=C(NC[C@H]1CCCCS1(=O)=O)Nc1ccccc1OC(F)(F)F ZINC000262247875 672911926 /nfs/dbraw/zinc/91/19/26/672911926.db2.gz OZVCNMMOUCMRIR-SNVBAGLBSA-N 1 0 365.377 2.279 20 30 FEEDRO C[C@@H]1CCCC[C@@H]1NC(NC[C@H]1CCS(=O)(=O)C1)=[NH+]C1CCCC1 ZINC000262400429 672915268 /nfs/dbraw/zinc/91/52/68/672915268.db2.gz NQLVUGZVAVGGPT-INMHGKMJSA-N 1 0 355.548 2.478 20 30 FEEDRO CC[NH+]=C(NC[C@]1(N2CCOCC2)CCSC1)N1C[C@H](C)C[C@@H](C)C1 ZINC000262514766 672917463 /nfs/dbraw/zinc/91/74/63/672917463.db2.gz CHUTYOBYJPLHKU-ZHALLVOQSA-N 1 0 368.591 2.138 20 30 FEEDRO C[NH+]=C(NCc1cn2cc(Cl)ccc2n1)NCc1c(C)nn(C)c1C ZINC000262812317 672921185 /nfs/dbraw/zinc/92/11/85/672921185.db2.gz OJRQFEINYLGLDI-UHFFFAOYSA-N 1 0 359.865 2.203 20 30 FEEDRO C[NH+]=C(NC[C@H](OC)C(C)(C)C)N1CCS(=O)(=O)C2(CCCCC2)C1 ZINC000262808787 672921349 /nfs/dbraw/zinc/92/13/49/672921349.db2.gz UOPXDMLEISZSQF-HNNXBMFYSA-N 1 0 373.563 2.056 20 30 FEEDRO [NH2+]=C(NCC1(CF)CCOCC1)N1CCN(c2ccc(F)cc2)CC1 ZINC000263207874 672930079 /nfs/dbraw/zinc/93/00/79/672930079.db2.gz YPHNPBBSSCQWIG-UHFFFAOYSA-N 1 0 352.429 2.029 20 30 FEEDRO C=CC[C@H]1CC[C@@H]([NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000593591453 672952858 /nfs/dbraw/zinc/95/28/58/672952858.db2.gz IXNFHQXSFQNUBK-UONOGXRCSA-N 1 0 353.444 2.208 20 30 FEEDRO CC(C)(C#N)c1ccc(S(=O)(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000593728973 672983609 /nfs/dbraw/zinc/98/36/09/672983609.db2.gz JREZMOMQDYLWBH-JKSUJKDBSA-N 1 0 361.511 2.498 20 30 FEEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)NCCC1(C[NH3+])CC1 ZINC000593770544 672989492 /nfs/dbraw/zinc/98/94/92/672989492.db2.gz KFJMBPWGHDNGGK-ZDUSSCGKSA-N 1 0 360.483 2.122 20 30 FEEDRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)CSc1nc(C)c(C)c(C)c1C#N ZINC000593908121 673006977 /nfs/dbraw/zinc/00/69/77/673006977.db2.gz ZROFUMIYYRKCMW-KBPBESRZSA-N 1 0 350.463 2.129 20 30 FEEDRO CCOCCCNC(=[NH2+])NCc1cc2c(c(Br)c1)OCO2 ZINC000303867918 673018094 /nfs/dbraw/zinc/01/80/94/673018094.db2.gz DCUHTJCQZKLNIH-UHFFFAOYSA-N 1 0 358.236 2.009 20 30 FEEDRO C=C[C@H](O)C(=O)Nc1ccc(C(=O)NCCC[NH+](CC)CC)c(Cl)c1 ZINC000612647845 676091755 /nfs/dbraw/zinc/09/17/55/676091755.db2.gz FHCGHACFJCPPSI-INIZCTEOSA-N 1 0 367.877 2.287 20 30 FEEDRO O=C(CSc1nncs1)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000328933861 673070020 /nfs/dbraw/zinc/07/00/20/673070020.db2.gz ITQZKGLPNVRBQB-CHWSQXEVSA-N 1 0 356.517 2.355 20 30 FEEDRO CC(C)S(=O)(=O)Cc1cccc(NC(=O)[C@@H]([NH3+])CCCCC#N)c1 ZINC000594434249 673071321 /nfs/dbraw/zinc/07/13/21/673071321.db2.gz LXJZXXQPCBZVLS-INIZCTEOSA-N 1 0 351.472 2.360 20 30 FEEDRO N#CCCCC[C@@H]([NH3+])C(=O)Nc1cccc(C(=O)N2CCSCC2)c1 ZINC000594432234 673071494 /nfs/dbraw/zinc/07/14/94/673071494.db2.gz ZYRRBDABCQJPLW-MRXNPFEDSA-N 1 0 360.483 2.225 20 30 FEEDRO CN1CC[C@H](NC(=O)[C@@H]([NH3+])CCCCC#N)[C@H]1c1ccc(F)c(F)c1 ZINC000594445837 673073309 /nfs/dbraw/zinc/07/33/09/673073309.db2.gz KYFZGEBVBMWIPH-YESZJQIVSA-N 1 0 350.413 2.237 20 30 FEEDRO CC[C@@H]1CN(C(=O)N[C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)CC[N@@H+]1CCOC ZINC000329813444 673083872 /nfs/dbraw/zinc/08/38/72/673083872.db2.gz SVFMCKYHONZYCJ-TWMKSMIVSA-N 1 0 353.507 2.147 20 30 FEEDRO C[N@H+](CCc1ccccc1)[C@@H]1CCN(S(=O)(=O)c2ccc(C#N)o2)C1 ZINC000594851073 673163186 /nfs/dbraw/zinc/16/31/86/673163186.db2.gz ZMDBYDXNVUEPBK-MRXNPFEDSA-N 1 0 359.451 2.089 20 30 FEEDRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=S)Nc2ccccc2C#N)CC1 ZINC000730467624 673282010 /nfs/dbraw/zinc/28/20/10/673282010.db2.gz HKCYHSZMBUVAMF-QGZVFWFLSA-N 1 0 357.527 2.357 20 30 FEEDRO CCOc1ccc(C=NNC(=S)NCCC[NH+](C)C)cc1OCC ZINC000731928031 673348274 /nfs/dbraw/zinc/34/82/74/673348274.db2.gz BDHIHBATPBYPAT-UHFFFAOYSA-N 1 0 352.504 2.234 20 30 FEEDRO COc1cc(C#N)ccc1C[NH+]1CCC(C(=O)NCC(F)(F)F)CC1 ZINC000536594864 673371125 /nfs/dbraw/zinc/37/11/25/673371125.db2.gz LDNAUWFNKUTLHU-UHFFFAOYSA-N 1 0 355.360 2.457 20 30 FEEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SC[C@@H]1CCOCO1 ZINC000732738604 673380355 /nfs/dbraw/zinc/38/03/55/673380355.db2.gz SDNVWKMEGRAPSK-HNNXBMFYSA-N 1 0 352.504 2.348 20 30 FEEDRO N#Cc1cc(Br)ccc1N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000596538621 673392571 /nfs/dbraw/zinc/39/25/71/673392571.db2.gz MWJUQZSIWYBOCF-HNNXBMFYSA-N 1 0 350.260 2.356 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N[C@@H](C#N)c2ccccc2Br)CC1 ZINC000733266852 673406069 /nfs/dbraw/zinc/40/60/69/673406069.db2.gz OGMQRDSMIMOGKV-INIZCTEOSA-N 1 0 360.255 2.475 20 30 FEEDRO CN(C)c1cc(C(=O)NC2(C#N)CC[NH+](C)CC2)cc(C(F)(F)F)c1 ZINC000597166182 673452836 /nfs/dbraw/zinc/45/28/36/673452836.db2.gz OXLJQPYCRXOBMJ-UHFFFAOYSA-N 1 0 354.376 2.489 20 30 FEEDRO C[C@@H]1C[N@@H+](CCCCNC(=O)c2cc(F)c(C#N)c(F)c2)C[C@H](C)O1 ZINC000597361981 673471682 /nfs/dbraw/zinc/47/16/82/673471682.db2.gz VYJGZYKUPDYRSX-BETUJISGSA-N 1 0 351.397 2.456 20 30 FEEDRO CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000597862259 673513780 /nfs/dbraw/zinc/51/37/80/673513780.db2.gz YTIPLGCRKLJZQV-IFXJQAMLSA-N 1 0 351.491 2.485 20 30 FEEDRO CS[C@@H]1CN([C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C[C@H]1[NH+](C)C ZINC000540589133 673548526 /nfs/dbraw/zinc/54/85/26/673548526.db2.gz OETCJKZQXPFYKU-RWBIUQBRSA-N 1 0 366.575 2.283 20 30 FEEDRO C[N@H+](C[C@H](O)CC(C)(C)C#N)C[C@@H](c1cccs1)N1CCOCC1 ZINC000598588410 673587258 /nfs/dbraw/zinc/58/72/58/673587258.db2.gz LKXAPGGHIALHLB-CVEARBPZSA-N 1 0 351.516 2.354 20 30 FEEDRO CC(C)(C#N)C[C@@H](O)C[NH2+][C@@](C)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000598598269 673587945 /nfs/dbraw/zinc/58/79/45/673587945.db2.gz PDUQKKFMNIBZAQ-CZUORRHYSA-N 1 0 357.376 2.296 20 30 FEEDRO CN(CC(=O)OC(C)(C)C)C1CC[NH+](C[C@@H](O)CC(C)(C)C#N)CC1 ZINC000598609296 673589808 /nfs/dbraw/zinc/58/98/08/673589808.db2.gz GIONNBCVHRBSSC-INIZCTEOSA-N 1 0 353.507 2.025 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)Cc2cccc(OC)c2Cl)c1C#N ZINC000598649182 673594102 /nfs/dbraw/zinc/59/41/02/673594102.db2.gz JLXBLKLNXUMREP-UHFFFAOYSA-N 1 0 361.833 2.277 20 30 FEEDRO CCN(CC)C(=O)CCC1CC[NH+]([C@H](C)C(=O)N(C)CCC#N)CC1 ZINC000542981289 673619022 /nfs/dbraw/zinc/61/90/22/673619022.db2.gz ROAIQCDVHSGHMG-MRXNPFEDSA-N 1 0 350.507 2.108 20 30 FEEDRO N#Cc1cnc2c(Br)cccc2c1NCC[N@H+]1CC[C@@H](O)C1 ZINC000599175950 673638645 /nfs/dbraw/zinc/63/86/45/673638645.db2.gz KSZPPBDVJKFLFR-GFCCVEGCSA-N 1 0 361.243 2.347 20 30 FEEDRO Cc1ccc([C@H]([NH2+]C[C@H](O)CC2(C#N)CC2)[C@H](C)S(C)(=O)=O)cc1 ZINC000599398124 673669425 /nfs/dbraw/zinc/66/94/25/673669425.db2.gz AJAFNVWXOUGTQO-USXIJHARSA-N 1 0 350.484 2.114 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)c2ccc3c(c2)NC(=O)[C@@H](C)S3)CC1 ZINC000742180565 673709740 /nfs/dbraw/zinc/70/97/40/673709740.db2.gz ZYHNQNLTLAWRLN-CYBMUJFWSA-N 1 0 357.479 2.337 20 30 FEEDRO N#CCc1ccc(CNC(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1 ZINC000599925255 673728238 /nfs/dbraw/zinc/72/82/38/673728238.db2.gz VDLBUTGMTHEMDY-GJZGRUSLSA-N 1 0 354.376 2.421 20 30 FEEDRO Cc1ccc(Br)cc1NC(=O)C[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000600723402 673794844 /nfs/dbraw/zinc/79/48/44/673794844.db2.gz NNVCAUGPEBCUKQ-CYBMUJFWSA-N 1 0 366.259 2.340 20 30 FEEDRO N#CC1(C[C@H](O)C[NH2+]CCc2cc(C(F)(F)F)ccn2)CCOCC1 ZINC000600739529 673795450 /nfs/dbraw/zinc/79/54/50/673795450.db2.gz QGXIQOGNPRBQTE-HNNXBMFYSA-N 1 0 357.376 2.304 20 30 FEEDRO CN(CCC#N)C[C@H](O)C[NH2+]Cc1ccc(Br)c(F)c1F ZINC000600754718 673796502 /nfs/dbraw/zinc/79/65/02/673796502.db2.gz BWQOFSKNVYXYPV-LLVKDONJSA-N 1 0 362.218 2.023 20 30 FEEDRO CN(CCC#N)C[C@H](O)C[NH2+]CCc1c[nH]c2cc(F)c(Cl)cc12 ZINC000600757773 673797095 /nfs/dbraw/zinc/79/70/95/673797095.db2.gz AHHGBFCLCQFKEM-CYBMUJFWSA-N 1 0 352.841 2.299 20 30 FEEDRO Cc1cc(S(=O)(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)sn1 ZINC000601321767 673842420 /nfs/dbraw/zinc/84/24/20/673842420.db2.gz RLRAFBCKLKUNDL-UHFFFAOYSA-N 1 0 364.496 2.076 20 30 FEEDRO N#CCc1ccccc1S(=O)(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000601376656 673851491 /nfs/dbraw/zinc/85/14/91/673851491.db2.gz NMOQYQPZJIVRAJ-FUHWJXTLSA-N 1 0 359.495 2.390 20 30 FEEDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000601421618 673859746 /nfs/dbraw/zinc/85/97/46/673859746.db2.gz IILROSIEZQAXFF-MFKMUULPSA-N 1 0 361.389 2.290 20 30 FEEDRO Cc1cccnc1CC(=NNC(=S)NCCC[NH+](C)C)C(F)(F)F ZINC000746371775 673875210 /nfs/dbraw/zinc/87/52/10/673875210.db2.gz GJNFYTHRKJNTHV-UHFFFAOYSA-N 1 0 361.437 2.267 20 30 FEEDRO Cc1cc(C#N)ccc1S(=O)(=O)N1CCCN(c2cc[nH+]cc2)CC1 ZINC000601518935 673876041 /nfs/dbraw/zinc/87/60/41/673876041.db2.gz HTPFYVKROAUTCR-UHFFFAOYSA-N 1 0 356.451 2.163 20 30 FEEDRO CCN(CC(F)(F)F)C(=O)CN(CCOC)Cc1ccc(C#N)cc1 ZINC000602766398 673910846 /nfs/dbraw/zinc/91/08/46/673910846.db2.gz ROPAQWWOHTYUDC-UHFFFAOYSA-N 1 0 357.376 2.417 20 30 FEEDRO N#Cc1ccsc1NC(=O)CC[N@H+]1C[C@@H](O)[C@H](Oc2ccccc2)C1 ZINC000602923363 673913939 /nfs/dbraw/zinc/91/39/39/673913939.db2.gz IAWDPNRIODXYGQ-HZPDHXFCSA-N 1 0 357.435 2.072 20 30 FEEDRO CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000548832762 673999361 /nfs/dbraw/zinc/99/93/61/673999361.db2.gz NKTPPURFUIYNOK-CZUORRHYSA-N 1 0 372.922 2.259 20 30 FEEDRO CC(C)[C@H]1CC[N@H+](CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)C1 ZINC000566393757 675210262 /nfs/dbraw/zinc/21/02/62/675210262.db2.gz GAIWQELXBMEKRD-DLBZAZTESA-N 1 0 360.527 2.435 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)C1=Cc2cc(Br)ccc2OC1 ZINC000818608957 675228519 /nfs/dbraw/zinc/22/85/19/675228519.db2.gz AYNOQPFKFJIVPR-UHFFFAOYSA-N 1 0 363.255 2.296 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2CC[NH3+])cc1Br ZINC000566973696 675257452 /nfs/dbraw/zinc/25/74/52/675257452.db2.gz NWOXJGZCRJLAGQ-GFCCVEGCSA-N 1 0 372.288 2.213 20 30 FEEDRO C#CCNC(=O)CC[NH2+][C@H](C)[C@H](OC)c1ccc(Br)cc1 ZINC000819209157 675270186 /nfs/dbraw/zinc/27/01/86/675270186.db2.gz UTTAPFDBJSOMCE-WBMJQRKESA-N 1 0 353.260 2.254 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)c2cnc(OC)c(Br)c2)CC1 ZINC000819305792 675279190 /nfs/dbraw/zinc/27/91/90/675279190.db2.gz UZEBSUNQOYKFSV-UHFFFAOYSA-N 1 0 366.259 2.070 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]C[C@]1(O)CCCN(C(=O)OC(C)(C)C)CC1 ZINC000819349856 675284018 /nfs/dbraw/zinc/28/40/18/675284018.db2.gz LQYNXMCXMGQSGU-GJYPPUQNSA-N 1 0 354.491 2.462 20 30 FEEDRO N#Cc1cnc(C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c(Cl)c1 ZINC000820079974 675335073 /nfs/dbraw/zinc/33/50/73/675335073.db2.gz ZTFUKUVLEHQHHS-QLPKVWCKSA-N 1 0 352.825 2.467 20 30 FEEDRO C#C[C@H](NC(=O)NCCN(C)CCC[NH+](C)C)c1ccc(Cl)cc1F ZINC000820755627 675385458 /nfs/dbraw/zinc/38/54/58/675385458.db2.gz NBQWBXQNCMEGAB-KRWDZBQOSA-N 1 0 368.884 2.336 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(Cl)nc1N ZINC000822475474 675487061 /nfs/dbraw/zinc/48/70/61/675487061.db2.gz GHHWFWBWGUIKHI-UHFFFAOYSA-N 1 0 357.845 2.393 20 30 FEEDRO C[C@H](NC(=O)OC(C)(C)C)c1nc(C(=O)NCC#CC[NH+](C)C)cs1 ZINC000827971686 675789984 /nfs/dbraw/zinc/78/99/84/675789984.db2.gz DZEJHTDHYWCTGY-LBPRGKRZSA-N 1 0 366.487 2.024 20 30 FEEDRO N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H](OCC(F)(F)F)C2)cc1 ZINC000603840832 675801351 /nfs/dbraw/zinc/80/13/51/675801351.db2.gz ZEBCWJBVTPSMQD-GOEBONIOSA-N 1 0 358.360 2.341 20 30 FEEDRO CN(CCCC[NH+](C)C)S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000618995509 676359426 /nfs/dbraw/zinc/35/94/26/676359426.db2.gz FUYWULOHJUMFCY-UHFFFAOYSA-N 1 0 374.304 2.283 20 30 FEEDRO C[C@H](C#N)CN(C)S(=O)(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000619714099 676392006 /nfs/dbraw/zinc/39/20/06/676392006.db2.gz VSEBNJSEBTUIET-SJLPKXTDSA-N 1 0 364.515 2.139 20 30 FEEDRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)NCc1ccc(C#N)c(Cl)c1 ZINC000619828602 676396632 /nfs/dbraw/zinc/39/66/32/676396632.db2.gz WDZMTUHCOORLCL-INIZCTEOSA-N 1 0 364.877 2.464 20 30 FEEDRO C=CCOc1c(Cl)cc(C[NH2+]CCN2CCCS2(=O)=O)cc1OC ZINC000623404982 676533262 /nfs/dbraw/zinc/53/32/62/676533262.db2.gz SLZJLIAQMJMUFF-UHFFFAOYSA-N 1 0 374.890 2.039 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)NCc2cc(Br)cc(OC)c2)CC1 ZINC000830426063 677038783 /nfs/dbraw/zinc/03/87/83/677038783.db2.gz FFYTUIDFWAUYGB-UHFFFAOYSA-N 1 0 365.271 2.419 20 30 FEEDRO CN(c1ccc(OCC[NH+](C)C)cc1)S(=O)(=O)CC1(CC#N)CC1 ZINC000830451083 677040376 /nfs/dbraw/zinc/04/03/76/677040376.db2.gz MVXMPPFSTBHFSC-UHFFFAOYSA-N 1 0 351.472 2.087 20 30 FEEDRO C=CCNS(=O)(=O)c1ccccc1NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000641536752 677209360 /nfs/dbraw/zinc/20/93/60/677209360.db2.gz GXUUKRRHDKWISS-INIZCTEOSA-N 1 0 367.515 2.064 20 30 FEEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000643477280 677227013 /nfs/dbraw/zinc/22/70/13/677227013.db2.gz SMWDVICIHVSNCJ-TZMCWYRMSA-N 1 0 367.902 2.127 20 30 FEEDRO C=CCc1ccccc1OC[C@@H](O)C[NH2+][C@@H]1CCN(CC(F)(F)F)C1 ZINC000644532474 677245288 /nfs/dbraw/zinc/24/52/88/677245288.db2.gz ULBGDZUQEPHPAR-CVEARBPZSA-N 1 0 358.404 2.381 20 30 FEEDRO C=C(Br)CNC(=O)N1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000760826970 680702236 /nfs/dbraw/zinc/70/22/36/680702236.db2.gz IFNYBMFDEMIOIX-UHFFFAOYSA-N 1 0 373.339 2.095 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)N1CCC(Oc2ccc(Cl)cn2)CC1 ZINC000838622602 680706573 /nfs/dbraw/zinc/70/65/73/680706573.db2.gz WLWYBTBCNQKDSN-UHFFFAOYSA-N 1 0 364.877 2.243 20 30 FEEDRO C#CC[N@@H+](C)CCCNC(=O)N[C@@H](C)[C@H](O)c1c(F)cccc1Cl ZINC000838623204 680706822 /nfs/dbraw/zinc/70/68/22/680706822.db2.gz UYODEWNIHQPTCR-LRDDRELGSA-N 1 0 355.841 2.155 20 30 FEEDRO FC(F)(F)CC[NH+]1CCC(N=Nc2ccc(-n3ccnc3)nn2)CC1 ZINC000761858627 680732967 /nfs/dbraw/zinc/73/29/67/680732967.db2.gz WAEWOSSRWGIQFV-UHFFFAOYSA-N 1 0 353.352 2.478 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)C(=O)c1ccc(Br)s1 ZINC000839700588 680773028 /nfs/dbraw/zinc/77/30/28/680773028.db2.gz PDTPYULJFFMWEB-UHFFFAOYSA-N 1 0 372.288 2.387 20 30 FEEDRO C=CC[C@H]1CCC[N@@H+](CC(=O)NCC(=O)Nc2ccc(F)c(F)c2)C1 ZINC000661379523 678472454 /nfs/dbraw/zinc/47/24/54/678472454.db2.gz CYZURMQJIWCQPQ-ZDUSSCGKSA-N 1 0 351.397 2.308 20 30 FEEDRO C=CC[C@]1(C(=O)Nc2cccc(NS(=O)(=O)CCC)c2)CCC[NH2+]1 ZINC000662614231 678643606 /nfs/dbraw/zinc/64/36/06/678643606.db2.gz NXFSVTIHNZFUMK-QGZVFWFLSA-N 1 0 351.472 2.475 20 30 FEEDRO C=CC[C@@]1(C(=O)Nc2cccc(S(=O)(=O)N[C@H](C)CC)c2)CCC[NH2+]1 ZINC000662645033 678646490 /nfs/dbraw/zinc/64/64/90/678646490.db2.gz HBBHJVSZZAGCQP-KDOFPFPSSA-N 1 0 365.499 2.400 20 30 FEEDRO C=CC[C@]1(C(=O)NCc2cc3c(cc2OC(F)F)OCO3)CCC[NH2+]1 ZINC000662645096 678646531 /nfs/dbraw/zinc/64/65/31/678646531.db2.gz ICGNQTDFQYVPLV-QGZVFWFLSA-N 1 0 354.353 2.331 20 30 FEEDRO C=CC[C@@]1(C(=O)N(C)Cc2nc([C@@H](C)OCC(C)C)no2)CCC[NH2+]1 ZINC000662647733 678646936 /nfs/dbraw/zinc/64/69/36/678646936.db2.gz HNBNEDRAZLRPPW-KDOFPFPSSA-N 1 0 350.463 2.460 20 30 FEEDRO C=CC[C@]1(C(=O)N[C@H](CC)CS(=O)(=O)c2ccccc2)CCC[NH2+]1 ZINC000662799556 678662839 /nfs/dbraw/zinc/66/28/39/678662839.db2.gz MWNVBBLUSZTATQ-CRAIPNDOSA-N 1 0 350.484 2.053 20 30 FEEDRO CCOCCC[N@@H+]1CCC(=NNS(=O)(=O)c2ccc(F)cc2)[C@H](C)C1 ZINC000764721690 680819565 /nfs/dbraw/zinc/81/95/65/680819565.db2.gz QXTDQPXCDDSMGM-CQSZACIVSA-N 1 0 371.478 2.228 20 30 FEEDRO C[C@@H]([NH2+]C1CCN(CC#N)CC1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000765856585 680857743 /nfs/dbraw/zinc/85/77/43/680857743.db2.gz OBOJGNBKCMNJFJ-GFCCVEGCSA-N 1 0 357.426 2.321 20 30 FEEDRO C[NH+](C)Cc1ccc(C(N)=NOCc2nccn2CC(F)(F)F)cc1 ZINC000747838845 679906804 /nfs/dbraw/zinc/90/68/04/679906804.db2.gz OCNJOKXENVPIPD-UHFFFAOYSA-N 1 0 355.364 2.344 20 30 FEEDRO CC(=NNS(=O)(=O)c1ccccc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000748132624 679934183 /nfs/dbraw/zinc/93/41/83/679934183.db2.gz XJUICNMFWUXVNJ-UHFFFAOYSA-N 1 0 361.467 2.330 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](CCCC2CCOCC2)C1 ZINC001015829243 680053069 /nfs/dbraw/zinc/05/30/69/680053069.db2.gz PDOCWKKFSXYGJL-QYZOEREBSA-N 1 0 350.503 2.365 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H](C[N@H+](C)CC2CCOCC2)C1 ZINC001017212365 680073297 /nfs/dbraw/zinc/07/32/97/680073297.db2.gz KEXIWDSMEFIRSB-QRVBRYPASA-N 1 0 350.503 2.175 20 30 FEEDRO C[NH+](C)CCCNC(=S)NN=CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000749860121 680081834 /nfs/dbraw/zinc/08/18/34/680081834.db2.gz WHFDBYJBWLNYIB-UHFFFAOYSA-N 1 0 371.551 2.035 20 30 FEEDRO C=C(Br)C[NH2+][C@H]1CCN(C(=O)[C@@H]2C[C@H]2C2CCOCC2)C1 ZINC001019136004 680088703 /nfs/dbraw/zinc/08/87/03/680088703.db2.gz DIWJFFKIJXPKPM-SOUVJXGZSA-N 1 0 357.292 2.148 20 30 FEEDRO N#Cc1ccc(C[NH2+][C@H]2CCN(C(=O)[C@@H]3C[C@H]3C3CCOCC3)C2)s1 ZINC001019136660 680088921 /nfs/dbraw/zinc/08/89/21/680088921.db2.gz SEZOKZHAJUIJCK-JCGIZDLHSA-N 1 0 359.495 2.373 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]C[C@H](O)C2CCCCC2)C1 ZINC001020167849 680101426 /nfs/dbraw/zinc/10/14/26/680101426.db2.gz IQHGJIHCWNUSPG-QQXKLLMISA-N 1 0 350.503 2.146 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CC2CCOCC2)CC1(C)C ZINC000977311077 680159991 /nfs/dbraw/zinc/15/99/91/680159991.db2.gz BQTRFGLBPWITCO-KSZLIROESA-N 1 0 350.503 2.221 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3cc(C)ns3)C[C@H]21 ZINC000978170521 680170558 /nfs/dbraw/zinc/17/05/58/680170558.db2.gz WQTNERGYMZMYTC-DZVNLGKHSA-N 1 0 361.511 2.227 20 30 FEEDRO C#C[C@H](NC(=O)[C@H](C)C[NH+]1CCOCC1)c1ccc(Br)cc1 ZINC000833231280 680191254 /nfs/dbraw/zinc/19/12/54/680191254.db2.gz SHQHMLXFJXNYHH-CJNGLKHVSA-N 1 0 365.271 2.208 20 30 FEEDRO C[C@H]1CN(C)CC1=NNC(=S)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000752157886 680225874 /nfs/dbraw/zinc/22/58/74/680225874.db2.gz FGNZOLGOWWUQSX-HNNXBMFYSA-N 1 0 359.543 2.053 20 30 FEEDRO CC(C)Oc1ccc(-c2nc(C(=O)N[C@@H]3C[NH2+]C[C@@H]3C#N)cs2)cc1 ZINC000834493115 680234469 /nfs/dbraw/zinc/23/44/69/680234469.db2.gz ARDLLBQQIPFEQZ-DZGCQCFKSA-N 1 0 356.451 2.439 20 30 FEEDRO Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000834499606 680235201 /nfs/dbraw/zinc/23/52/01/680235201.db2.gz KJWWLVFQASMXJO-GOEBONIOSA-N 1 0 357.845 2.043 20 30 FEEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)CCSc1ccccc1Br ZINC000834499363 680235277 /nfs/dbraw/zinc/23/52/77/680235277.db2.gz HTLPKZPUXJEHCD-CMPLNLGQSA-N 1 0 354.273 2.159 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+](CCOC2CCC2)C1 ZINC001023642940 680268674 /nfs/dbraw/zinc/26/86/74/680268674.db2.gz KSPVGSZXCFAEPJ-NEWSRXKRSA-N 1 0 350.503 2.365 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[N@H+](CC[C@@H]2CCCO2)CC1 ZINC000982135065 680270421 /nfs/dbraw/zinc/27/04/21/680270421.db2.gz PIXGWSFJRGPKEQ-FHWLQOOXSA-N 1 0 350.503 2.461 20 30 FEEDRO C=C(C)CC[NH2+][C@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000834882159 680279847 /nfs/dbraw/zinc/27/98/47/680279847.db2.gz JEHZUDAVBQZUMO-CYBMUJFWSA-N 1 0 360.501 2.029 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]Cc2csnc2OC)C1 ZINC001024165899 680282932 /nfs/dbraw/zinc/28/29/32/680282932.db2.gz XRUVHFYKNPNGAL-IMJJTQAJSA-N 1 0 365.499 2.071 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@H](C[NH2+]Cc2nncs2)C1 ZINC001024191817 680283194 /nfs/dbraw/zinc/28/31/94/680283194.db2.gz DZCXKEPBOHXYDR-VYDXJSESSA-N 1 0 364.515 2.238 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+][C@H](C)c2nnc(C)s2)C1 ZINC000983698841 680321982 /nfs/dbraw/zinc/32/19/82/680321982.db2.gz RQGQEERCCSOIES-BTAUDXDXSA-N 1 0 364.515 2.373 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@@H]3CCC(F)(F)C3)C[C@H]21 ZINC001025791276 680338461 /nfs/dbraw/zinc/33/84/61/680338461.db2.gz JMLGBFYUPSUDHL-FFRIZKCHSA-N 1 0 354.441 2.449 20 30 FEEDRO CC(C)[N@H+]1CC(N=Nc2ccc(S(=O)(=O)NC3CC3)cc2)[C@H](C)C1 ZINC000754256671 680345644 /nfs/dbraw/zinc/34/56/44/680345644.db2.gz DBFRNZMAFAOMBV-CYBMUJFWSA-N 1 0 350.488 2.255 20 30 FEEDRO N#Cc1ccc(C[N@H+]2CC[C@@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH]cn3)C2)s1 ZINC001028606136 680379227 /nfs/dbraw/zinc/37/92/27/680379227.db2.gz MIFXKAIOGPXKGY-APHBMKBZSA-N 1 0 355.467 2.085 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](C[N@@H+](C)Cc2ccc(C#N)s2)C1 ZINC001029847932 680393672 /nfs/dbraw/zinc/39/36/72/680393672.db2.gz YKKYRUUNZVBOHT-QGTPRVQTSA-N 1 0 359.495 2.491 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(C[N@@H+](C)C[C@H]2CCCOC2)CC1 ZINC001029998594 680396328 /nfs/dbraw/zinc/39/63/28/680396328.db2.gz YQXXEFKMAIQYCE-QRVBRYPASA-N 1 0 350.503 2.175 20 30 FEEDRO C=CC[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3C[C@H]3c3ccsc3)nn2)C1 ZINC000999998503 680416370 /nfs/dbraw/zinc/41/63/70/680416370.db2.gz TVABIJHHLSAVQY-YESZJQIVSA-N 1 0 357.483 2.192 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)NCCc1ccc(OC(F)(F)F)cc1 ZINC000836223916 680437510 /nfs/dbraw/zinc/43/75/10/680437510.db2.gz ZDGCXTQVRKXNAP-UHFFFAOYSA-N 1 0 357.376 2.382 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2nnc(C)s2)CC1 ZINC001034754381 680439924 /nfs/dbraw/zinc/43/99/24/680439924.db2.gz KNEMMQFDJGDTNN-JKQORVJESA-N 1 0 364.515 2.345 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC[C@H]2CCOC2)CC1 ZINC001034754455 680439949 /nfs/dbraw/zinc/43/99/49/680439949.db2.gz LNKSXJLDECUXEJ-VMXHOPILSA-N 1 0 350.503 2.411 20 30 FEEDRO C=C(C)CC[N@H+]1CC=C(CNC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)CC1 ZINC001000837632 680440973 /nfs/dbraw/zinc/44/09/73/680440973.db2.gz OSZHUJPLMQKJJJ-CABCVRRESA-N 1 0 362.392 2.047 20 30 FEEDRO C#CC[N@@H+](C)CCCNC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1 ZINC000836376668 680459956 /nfs/dbraw/zinc/45/99/56/680459956.db2.gz INTGIFBTYDIANM-QZTJIDSGSA-N 1 0 362.905 2.340 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([N@H+](C)C[C@@H]2CC(C)(C)CO2)CC1 ZINC000985662379 680467822 /nfs/dbraw/zinc/46/78/22/680467822.db2.gz STIYJBQHEJCWKF-KSZLIROESA-N 1 0 350.503 2.315 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([N@H+](C)CC[C@@H]2CCCCO2)CC1 ZINC000985661607 680467890 /nfs/dbraw/zinc/46/78/90/680467890.db2.gz OTPAAETYMMADBA-OTWHNJEPSA-N 1 0 350.503 2.460 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)N1CCO[C@@H](c2ccc(F)cc2F)C1 ZINC000836490041 680476517 /nfs/dbraw/zinc/47/65/17/680476517.db2.gz DBIWURGSICVZAI-QGZVFWFLSA-N 1 0 351.397 2.003 20 30 FEEDRO C=C(C[NH+](C)C)C(=O)Nc1cc(N2CCOCC2)ccc1Br ZINC000836903617 680529683 /nfs/dbraw/zinc/52/96/83/680529683.db2.gz JBESUOWGVAECAW-UHFFFAOYSA-N 1 0 368.275 2.342 20 30 FEEDRO C[C@@H]1CN(c2nc(C#N)c(Cl)s2)C[C@H]1NC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001042510471 680533514 /nfs/dbraw/zinc/53/35/14/680533514.db2.gz LFLZMVJJNAFTJU-NTZNESFSSA-N 1 0 367.906 2.093 20 30 FEEDRO C[C@@H]1CN(c2snc(Cl)c2C#N)C[C@H]1NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001042633684 680537315 /nfs/dbraw/zinc/53/73/15/680537315.db2.gz HCCCGXGDPJZSCB-RAIGVLPGSA-N 1 0 367.906 2.093 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1CC[NH+](C[C@H]2CCCOC2)CC1 ZINC001003763644 680541080 /nfs/dbraw/zinc/54/10/80/680541080.db2.gz QEPBONQDAVSKPN-NEWSRXKRSA-N 1 0 350.503 2.365 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CC[NH+](CCC2CCOCC2)CC1 ZINC001003786825 680541984 /nfs/dbraw/zinc/54/19/84/680541984.db2.gz CXYHICZETBBVFL-OALUTQOASA-N 1 0 350.503 2.365 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CC[NH+](C[C@@H]2CC(C)(C)CO2)CC1 ZINC001003788236 680541989 /nfs/dbraw/zinc/54/19/89/680541989.db2.gz MJXMJXPUHAMTPC-BZSNNMDCSA-N 1 0 350.503 2.363 20 30 FEEDRO CC[C@H](C(=O)N1C[C@@H](C)[C@H](Nc2nc(C#N)c(Cl)s2)C1)[NH+](C)C ZINC001043261607 680569938 /nfs/dbraw/zinc/56/99/38/680569938.db2.gz KPYZWXOJAVFZGV-YUSALJHKSA-N 1 0 355.895 2.267 20 30 FEEDRO C[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1Nc1snc(Cl)c1C#N ZINC001043517064 680585452 /nfs/dbraw/zinc/58/54/52/680585452.db2.gz JZAMVIMTSPVKQA-DMDPSCGWSA-N 1 0 367.906 2.269 20 30 FEEDRO C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1Nc1ncc(C#N)cc1Cl ZINC001043564484 680588041 /nfs/dbraw/zinc/58/80/41/680588041.db2.gz KYPWQUJYAGXQED-ZNEHSRBWSA-N 1 0 361.877 2.206 20 30 FEEDRO C#CCNC(=S)C(C(=O)c1cnn(C)c1)[n+]1ccc(C(C)(C)C)cc1 ZINC000759059119 680624413 /nfs/dbraw/zinc/62/44/13/680624413.db2.gz PYUNJMVRMGRUMB-UHFFFAOYSA-O 1 0 355.487 2.439 20 30 FEEDRO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCCC[C@H]2Nc2nc(Cl)c(C#N)s2)C1 ZINC001045498394 680632144 /nfs/dbraw/zinc/63/21/44/680632144.db2.gz XRJJROAMMSCGRY-QJPTWQEYSA-N 1 0 367.906 2.459 20 30 FEEDRO C=C(C)C[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2C[C@H]2c2ccnn2C)C1 ZINC001046957837 680654739 /nfs/dbraw/zinc/65/47/39/680654739.db2.gz JOLDFPSABJRDFK-RRFJBIMHSA-N 1 0 352.429 2.173 20 30 FEEDRO Cc1cc(N(CCC#N)C(=O)C[NH2+]C2(C(N)=O)CCCC2)ccc1Cl ZINC000759715163 680665340 /nfs/dbraw/zinc/66/53/40/680665340.db2.gz FBNKVJVTLMWSTG-UHFFFAOYSA-N 1 0 362.861 2.283 20 30 FEEDRO C=C(C[NH+](C)C)C(=O)N[C@@H]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC000838175922 680677947 /nfs/dbraw/zinc/67/79/47/680677947.db2.gz SKVCLESWZUETQG-OWCLPIDISA-N 1 0 351.491 2.256 20 30 FEEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)Nc1nnc(-c2c(F)cccc2Cl)s1 ZINC000841195676 680868559 /nfs/dbraw/zinc/86/85/59/680868559.db2.gz HRVWXTZPRIGPQI-XCBNKYQSSA-N 1 0 366.809 2.231 20 30 FEEDRO C#CCCC[NH+]1CCN(C(=O)COc2ccc(Br)cc2)CC1 ZINC000766901769 680892241 /nfs/dbraw/zinc/89/22/41/680892241.db2.gz RWMSNFUCKYVHPM-UHFFFAOYSA-N 1 0 365.271 2.386 20 30 FEEDRO COc1ccc(C(C)=NNC2=[NH+]CCN2)cc1CSc1ncccn1 ZINC000841660586 680904935 /nfs/dbraw/zinc/90/49/35/680904935.db2.gz FGDWDYQCTXGQCN-UHFFFAOYSA-N 1 0 356.455 2.050 20 30 FEEDRO C=CCS(=O)(=O)CC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC000842696305 680960213 /nfs/dbraw/zinc/96/02/13/680960213.db2.gz UOBQOAUNLKCUCN-BZUAXINKSA-N 1 0 372.531 2.212 20 30 FEEDRO N#CCc1ccc(OC[C@@H](O)C[NH2+]C[C@@H](O)c2ccccc2Cl)cc1 ZINC000843061473 680984982 /nfs/dbraw/zinc/98/49/82/680984982.db2.gz ALYXRQIZUCSFRW-HNAYVOBHSA-N 1 0 360.841 2.469 20 30 FEEDRO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)[C@@H](O)c1ccc(F)cc1 ZINC000843072103 680985812 /nfs/dbraw/zinc/98/58/12/680985812.db2.gz AJUYAHJPGONWDW-FZKQIMNGSA-N 1 0 362.426 2.183 20 30 FEEDRO N#CCc1ccc(OC[C@H](O)C[NH2+]C[C@@H](O)c2ccc(Cl)cc2)cc1 ZINC000843094219 680987278 /nfs/dbraw/zinc/98/72/78/680987278.db2.gz PNIWFIDCWLSMBL-IEBWSBKVSA-N 1 0 360.841 2.469 20 30 FEEDRO Cc1cc(C)cc([C@@H](O)C[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)c1 ZINC000843095717 680987422 /nfs/dbraw/zinc/98/74/22/680987422.db2.gz WDJUVYZRTVQGNQ-IBGZPJMESA-N 1 0 358.463 2.272 20 30 FEEDRO C[C@@H]1[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)CCN1c1snc(Cl)c1C#N ZINC001050454636 681048355 /nfs/dbraw/zinc/04/83/55/681048355.db2.gz MIYXONQCQVSQCF-WZRBSPASSA-N 1 0 367.906 2.093 20 30 FEEDRO C=CCNC(=S)C(C(=O)c1cn(C)nn1)[n+]1ccc(C(C)(C)C)cc1 ZINC000844603327 681068442 /nfs/dbraw/zinc/06/84/42/681068442.db2.gz XJTHFIPGSXAGLH-UHFFFAOYSA-O 1 0 358.491 2.387 20 30 FEEDRO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2OCC[C@@H]2Cn2cccn2)CC1 ZINC001052785965 681086195 /nfs/dbraw/zinc/08/61/95/681086195.db2.gz MYKVXMRDQKIDRH-BRWVUGGUSA-N 1 0 366.893 2.011 20 30 FEEDRO Cn1nc(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)cc1Cl ZINC000845004523 681097852 /nfs/dbraw/zinc/09/78/52/681097852.db2.gz UMRHSTFWUKIWMW-UHFFFAOYSA-N 1 0 357.845 2.340 20 30 FEEDRO Cc1nsc(NC[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]2C)c1C#N ZINC001054426329 681108540 /nfs/dbraw/zinc/10/85/40/681108540.db2.gz UBFQTWCBTBHQMB-XPKDYRNWSA-N 1 0 363.531 2.416 20 30 FEEDRO C[C@@H]1[C@H](C(=O)N2CC[C@H](N(C)c3nc(Cl)c(C#N)s3)C2)CC[N@@H+]1C ZINC001057052909 681158512 /nfs/dbraw/zinc/15/85/12/681158512.db2.gz RZNQVBWWHPNQDA-GRYCIOLGSA-N 1 0 367.906 2.045 20 30 FEEDRO C[C@@H]1[C@H](C(=O)N2CC[C@H](Nc3nc(Cl)c(C#N)s3)C2)CC[N@@H+]1C ZINC001059096845 681178624 /nfs/dbraw/zinc/17/86/24/681178624.db2.gz PZOJDGKTONWXKK-OUAUKWLOSA-N 1 0 353.879 2.021 20 30 FEEDRO N#C[C@H]1CCCN(CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C1 ZINC000932152764 681184785 /nfs/dbraw/zinc/18/47/85/681184785.db2.gz TZEZPAVTUJEHKT-QGZVFWFLSA-N 1 0 358.511 2.409 20 30 FEEDRO C=CC1(CC(=O)N2CCC([NH+](C)C)CC2)CN(C(=O)OC(C)(C)C)C1 ZINC000932359818 681235211 /nfs/dbraw/zinc/23/52/11/681235211.db2.gz BKVQLWPGNCJBDU-UHFFFAOYSA-N 1 0 351.491 2.352 20 30 FEEDRO COc1ccc([C@H](C[NH+](C)C)NC(=O)N[C@@H](CC#N)C(F)(F)F)cc1 ZINC000932903135 681325692 /nfs/dbraw/zinc/32/56/92/681325692.db2.gz OXFVQSNDBZQSRR-KBPBESRZSA-N 1 0 358.364 2.442 20 30 FEEDRO CCOC(=O)N1CCC[C@H]([C@H](C)[NH2+]CC(=O)Nc2sccc2C#N)C1 ZINC000776824222 681438873 /nfs/dbraw/zinc/43/88/73/681438873.db2.gz UDBASAIBRWKFPS-JSGCOSHPSA-N 1 0 364.471 2.405 20 30 FEEDRO C#CC[N@H+](C)CCCNS(=O)(=O)Cc1cccc(Br)c1C ZINC000848456539 681549346 /nfs/dbraw/zinc/54/93/46/681549346.db2.gz IASWSKCXWCXAHS-UHFFFAOYSA-N 1 0 373.316 2.132 20 30 FEEDRO CC[NH+](CC)CC#C[C@H](C)OC(=O)[C@@H](C(C)C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000778686028 681639489 /nfs/dbraw/zinc/63/94/89/681639489.db2.gz SSAKTKRSOXTOOH-INDMIFKZSA-N 1 0 352.519 2.397 20 30 FEEDRO C=C(C)CNC(=[NH2+])NC[C@@H](CO)Cc1cc(Br)ccc1F ZINC000849115244 681657663 /nfs/dbraw/zinc/65/76/63/681657663.db2.gz KZQRQVSEHNURQO-NSHDSACASA-N 1 0 358.255 2.429 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N(CC)C1C[NH+](C[C@H](OC)C2CCC2)C1 ZINC000950353311 681684451 /nfs/dbraw/zinc/68/44/51/681684451.db2.gz PUDZBDJHLPNKJB-QYZOEREBSA-N 1 0 350.503 2.315 20 30 FEEDRO C[C@H]([NH2+]CC1(NC(=O)OC(C)(C)C)CCCC1)C(=O)N(C)CCC#N ZINC000849323276 681686057 /nfs/dbraw/zinc/68/60/57/681686057.db2.gz KIIBVZCHTRPWDP-AWEZNQCLSA-N 1 0 352.479 2.174 20 30 FEEDRO C[NH+](C)CC#CCNC(=O)C[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000913521056 685479200 /nfs/dbraw/zinc/47/92/00/685479200.db2.gz JSBIDTPLTVKIRP-MRXNPFEDSA-N 1 0 351.491 2.095 20 30 FEEDRO C[NH+](C)CC#CCNC(=O)C[C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000913521055 685479240 /nfs/dbraw/zinc/47/92/40/685479240.db2.gz JSBIDTPLTVKIRP-INIZCTEOSA-N 1 0 351.491 2.095 20 30 FEEDRO COC(=O)Nc1cc(C(=O)NCC#CC[NH+](C)C)cc(C(F)(F)F)c1 ZINC000913519548 685479258 /nfs/dbraw/zinc/47/92/58/685479258.db2.gz FCGHYUGMFBSHTL-UHFFFAOYSA-N 1 0 357.332 2.179 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)N[C@@](C)(CO)Cc1ccc(Br)cc1 ZINC000913715296 685483361 /nfs/dbraw/zinc/48/33/61/685483361.db2.gz ZRKGXAAGYZIDAG-QGZVFWFLSA-N 1 0 369.303 2.367 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)N[C@@]1(c2ccc(Br)cc2)C[C@@H](O)C1 ZINC000914175314 685497395 /nfs/dbraw/zinc/49/73/95/685497395.db2.gz XKBFNEYOMQAVJQ-WOVMCDHWSA-N 1 0 367.287 2.423 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CC[C@H](C2OCCO2)C1)C(C)C ZINC000914125579 685495427 /nfs/dbraw/zinc/49/54/27/685495427.db2.gz HYARCXRWUASXFV-IRXDYDNUSA-N 1 0 351.491 2.089 20 30 FEEDRO C=CCSCCNC(=O)N[C@@H]1C[C@]2(C[N@@H+](CC)[C@@H]2C(C)C)C[C@H]1O ZINC000915205026 685513055 /nfs/dbraw/zinc/51/30/55/685513055.db2.gz LFKOWYMYVCNRJS-YFHUEUNASA-N 1 0 355.548 2.075 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)NC1CC(C[NH2+]Cc2csc(Cl)n2)C1 ZINC000962322396 682115910 /nfs/dbraw/zinc/11/59/10/682115910.db2.gz WMDNZJKMXZHGJA-QUINOFQRSA-N 1 0 355.891 2.372 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)NC1CC(C[NH2+]Cc2nnc(CCC)s2)C1 ZINC000962321830 682116107 /nfs/dbraw/zinc/11/61/07/682116107.db2.gz OSZSZXVNVNVNMR-CVSAEHQPSA-N 1 0 364.515 2.066 20 30 FEEDRO C#CC[N@H+](C[C@H]1CNC(=O)C1)[C@H]1CCOc2ccc(Br)cc21 ZINC000851771342 682129245 /nfs/dbraw/zinc/12/92/45/682129245.db2.gz BVXHERIATLWLEV-DOMZBBRYSA-N 1 0 363.255 2.344 20 30 FEEDRO C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)c3ccc(C(F)(F)F)c(C#N)c3)C[C@@H]2C1 ZINC000916661777 685526788 /nfs/dbraw/zinc/52/67/88/685526788.db2.gz DLSSSIMTLXHVDO-YPMHNXCESA-N 1 0 373.400 2.149 20 30 FEEDRO C=C(C)CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC000968964920 682252135 /nfs/dbraw/zinc/25/21/35/682252135.db2.gz BCHFOWMUKUMJBQ-CADBVGFASA-N 1 0 350.503 2.365 20 30 FEEDRO C#CCOCCN1CC[C@H](c2ccccc2)[C@H](NC(=O)C(F)(F)F)C1 ZINC000852672056 682317406 /nfs/dbraw/zinc/31/74/06/682317406.db2.gz LHTHGCFSLBPGQN-HZPDHXFCSA-N 1 0 354.372 2.173 20 30 FEEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](C(C)C)[C@@H](O)c1ccc(Cl)cc1 ZINC000852730793 682327861 /nfs/dbraw/zinc/32/78/61/682327861.db2.gz GSIYHHXKSQTBJY-RCBQFDQVSA-N 1 0 367.877 2.388 20 30 FEEDRO COc1cc(CN(C)C(=O)C#CC2CC[NH2+]CC2)ccc1OC(F)F ZINC000852802394 682344823 /nfs/dbraw/zinc/34/48/23/682344823.db2.gz OHRNSFUADKJHNP-UHFFFAOYSA-N 1 0 352.381 2.258 20 30 FEEDRO COCCN(Cc1ccc(F)cc1Cl)C(=O)C#CC1CC[NH2+]CC1 ZINC000852834975 682349013 /nfs/dbraw/zinc/34/90/13/682349013.db2.gz FSSKXVLJAYOXNB-UHFFFAOYSA-N 1 0 352.837 2.457 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@@H]([N@H+](C)CC2CCOCC2)C1 ZINC000972512383 682417942 /nfs/dbraw/zinc/41/79/42/682417942.db2.gz CLZHSVGWIGAKFM-QYZOEREBSA-N 1 0 350.503 2.317 20 30 FEEDRO C#CCC[N@@H+](CCOC)Cn1nc(Br)c(=O)c2ccccc21 ZINC000853620981 682446633 /nfs/dbraw/zinc/44/66/33/682446633.db2.gz LVGFOMWSZODWKT-UHFFFAOYSA-N 1 0 364.243 2.088 20 30 FEEDRO C=CCn1c(C2CC2)nn(CN2CCO[C@@H](CCC[NH+](C)C)C2)c1=S ZINC000853625108 682447648 /nfs/dbraw/zinc/44/76/48/682447648.db2.gz UPEYUICCCMWJER-INIZCTEOSA-N 1 0 365.547 2.478 20 30 FEEDRO N#CCSCCC[NH+]1CCC(c2nccc(N3CCOCC3)n2)CC1 ZINC000854105243 682514172 /nfs/dbraw/zinc/51/41/72/682514172.db2.gz RYUAJLOFUKTIQJ-UHFFFAOYSA-N 1 0 361.515 2.139 20 30 FEEDRO C#CCNC(=O)C[NH2+][C@H](Cc1ccccn1)c1ccc(Br)cc1 ZINC000789445891 682605583 /nfs/dbraw/zinc/60/55/83/682605583.db2.gz XONHFVKBIHKSGU-QGZVFWFLSA-N 1 0 372.266 2.467 20 30 FEEDRO O=C(C#Cc1ccc(C(F)(F)F)cc1)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000790542529 682684619 /nfs/dbraw/zinc/68/46/19/682684619.db2.gz KAGJBNHEFPQBQG-HZPDHXFCSA-N 1 0 352.356 2.036 20 30 FEEDRO CCC(CC)[C@H](CNS(=O)(=O)Cc1ccc(C#N)cc1F)[NH+](C)C ZINC000790880746 682709751 /nfs/dbraw/zinc/70/97/51/682709751.db2.gz PRYZTOXKGORBPR-KRWDZBQOSA-N 1 0 355.479 2.483 20 30 FEEDRO C[C@@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1ccc(Br)cn1 ZINC000794808883 682997592 /nfs/dbraw/zinc/99/75/92/682997592.db2.gz CVMQKRVJCGQNND-ZEIZSXSISA-N 1 0 365.231 2.021 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)CCC2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000859250919 683064889 /nfs/dbraw/zinc/06/48/89/683064889.db2.gz QVVFKADPEYFXHU-UHFFFAOYSA-N 1 0 351.491 2.400 20 30 FEEDRO CCCCCCCCNC(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000861773089 683470393 /nfs/dbraw/zinc/47/03/93/683470393.db2.gz IEGJLZOFXZROHP-KGLIPLIRSA-N 1 0 365.440 2.449 20 30 FEEDRO C[NH+](C)CC[C@H](NS(=O)(=O)c1cc(F)cc(C#N)c1)c1cccnc1 ZINC000921478245 683480294 /nfs/dbraw/zinc/48/02/94/683480294.db2.gz DROMHWBCMGMFOK-KRWDZBQOSA-N 1 0 362.430 2.064 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])CC1 ZINC000928651546 683481391 /nfs/dbraw/zinc/48/13/91/683481391.db2.gz VSMKPHNJAMKIHX-UHFFFAOYSA-N 1 0 355.316 2.441 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)c2c[nH]c3ncc(Br)cc23)CC1 ZINC000928653266 683481968 /nfs/dbraw/zinc/48/19/68/683481968.db2.gz GKRAOTWUIMTHBZ-UHFFFAOYSA-N 1 0 361.243 2.153 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)CSc2nc(-c3ccccc3)no2)CC1 ZINC000928653901 683482058 /nfs/dbraw/zinc/48/20/58/683482058.db2.gz FOORBEPWEJDERH-UHFFFAOYSA-N 1 0 356.451 2.043 20 30 FEEDRO C[NH+](C)CC[C@@H](NS(=O)(=O)Cc1ccc(C#N)cc1)c1cccnc1 ZINC000921482101 683482358 /nfs/dbraw/zinc/48/23/58/683482358.db2.gz DEGZFSIORGKDIM-GOSISDBHSA-N 1 0 358.467 2.066 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)Cn2c(CSC)nc3ccccc32)CC1 ZINC000928659601 683482567 /nfs/dbraw/zinc/48/25/67/683482567.db2.gz TXTUBSPFSFRDSZ-UHFFFAOYSA-N 1 0 356.495 2.113 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)C[C@H](NC(C)=O)c2ccc(Cl)cc2)CC1 ZINC000928658187 683482648 /nfs/dbraw/zinc/48/26/48/683482648.db2.gz DIKBJCPRUJTLIQ-SFHVURJKSA-N 1 0 361.873 2.121 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)c2cnn(C(C)C)c2Br)CC1 ZINC000928660559 683483580 /nfs/dbraw/zinc/48/35/80/683483580.db2.gz QKRSYRYAKCGQSF-UHFFFAOYSA-N 1 0 353.264 2.054 20 30 FEEDRO C#C[C@H]([NH2+][C@@H](C)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1)C1CCOCC1 ZINC000862419340 683588720 /nfs/dbraw/zinc/58/87/20/683588720.db2.gz QGHVKTBPFNFOJU-XIRDDKMYSA-N 1 0 352.475 2.029 20 30 FEEDRO Cc1cc(S(=O)(=O)NCC[NH2+]Cc2csc(C#N)c2)c(C)s1 ZINC000921915589 683612175 /nfs/dbraw/zinc/61/21/75/683612175.db2.gz NMJRDDUVSMPTSG-UHFFFAOYSA-N 1 0 355.510 2.366 20 30 FEEDRO C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)[C@@H]1C[C@H]1c1cccc(F)c1 ZINC000922023603 683639348 /nfs/dbraw/zinc/63/93/48/683639348.db2.gz WWMFBLSGOQWNLH-ZWKOTPCHSA-N 1 0 350.459 2.041 20 30 FEEDRO C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)N1CCC2(CCCCC2)CC1 ZINC000922024433 683639926 /nfs/dbraw/zinc/63/99/26/683639926.db2.gz QSFTXJQWQFXNAG-UHFFFAOYSA-N 1 0 367.559 2.307 20 30 FEEDRO C#CC[C@H](CCOC)[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000863589637 683746786 /nfs/dbraw/zinc/74/67/86/683746786.db2.gz SWTLEMSMVVPAPE-CQSZACIVSA-N 1 0 374.300 2.241 20 30 FEEDRO CC#CC[N@H+](C)C[C@H](O)c1ccc2c(c1)CN(C(=O)C(F)(F)F)CC2 ZINC000930588644 683756104 /nfs/dbraw/zinc/75/61/04/683756104.db2.gz IHXOATWTJWYAMT-INIZCTEOSA-N 1 0 354.372 2.122 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]C[C@@H]1C[C@]2(CCN(C(=O)OC(C)(C)C)C2)CO1 ZINC000930638670 683762964 /nfs/dbraw/zinc/76/29/64/683762964.db2.gz JJHMZUGKMHDMSW-RCJHGTSTSA-N 1 0 352.475 2.336 20 30 FEEDRO CC1(C)CC[C@@H](CNC(=O)N2CCN(c3ccsc3C#N)CC2)[NH2+]C1 ZINC000864055231 683798706 /nfs/dbraw/zinc/79/87/06/683798706.db2.gz LBYUAYOTNXOSFG-AWEZNQCLSA-N 1 0 361.515 2.230 20 30 FEEDRO C=C(Cl)C[C@@H]1NC(=O)N(C[C@@H](c2cccc(OC)c2)[NH+](C)C)C1=O ZINC000865297583 683963066 /nfs/dbraw/zinc/96/30/66/683963066.db2.gz YWHDXLDGXWWZBS-GJZGRUSLSA-N 1 0 351.834 2.361 20 30 FEEDRO C=C(Cl)C[C@@H]1NC(=O)N(Cc2ccc(OCC[NH+](C)C)cc2)C1=O ZINC000865297647 683963107 /nfs/dbraw/zinc/96/31/07/683963107.db2.gz ARBOFOZXOFJUHN-HNNXBMFYSA-N 1 0 351.834 2.190 20 30 FEEDRO O=C(NCC[NH2+]Cc1ccc(CC(F)(F)F)cc1)C1N=CC=CC1=O ZINC000865463223 683986209 /nfs/dbraw/zinc/98/62/09/683986209.db2.gz XXOLHAQFQOHUFZ-NXVVXOECSA-N 1 0 353.344 2.407 20 30 FEEDRO N#Cc1cccc(Br)c1N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000865957021 684051765 /nfs/dbraw/zinc/05/17/65/684051765.db2.gz SERRNCYQICJSKQ-AWEZNQCLSA-N 1 0 350.260 2.356 20 30 FEEDRO N#Cc1cccc(Br)c1N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000865957022 684051776 /nfs/dbraw/zinc/05/17/76/684051776.db2.gz SERRNCYQICJSKQ-CQSZACIVSA-N 1 0 350.260 2.356 20 30 FEEDRO COC(=O)[C@H](c1ccc(C#N)cc1)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000866668751 684131865 /nfs/dbraw/zinc/13/18/65/684131865.db2.gz KDBBPCPEDWTYGL-ILXRZTDVSA-N 1 0 355.360 2.231 20 30 FEEDRO C[NH2+]C[C@](C)(O)CN1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000923530518 684299890 /nfs/dbraw/zinc/29/98/90/684299890.db2.gz FAGZSFIBWXJEIU-HLTSFMKQSA-N 1 0 370.284 2.060 20 30 FEEDRO N#Cc1ccc(CS(=O)(=O)N2C[C@H](CC[NH3+])Cc3ccccc32)cc1 ZINC000923749600 684346789 /nfs/dbraw/zinc/34/67/89/684346789.db2.gz QWSNBVKQSHHBFH-QGZVFWFLSA-N 1 0 355.463 2.416 20 30 FEEDRO C#CCN1CCC[C@@H](NC(=O)Nc2cc3sc(=O)n(C)c3cc2C)C1 ZINC000931906631 684367752 /nfs/dbraw/zinc/36/77/52/684367752.db2.gz XCABSUXRQZVZMR-CYBMUJFWSA-N 1 0 358.467 2.128 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)C(=O)N1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000868356588 684485483 /nfs/dbraw/zinc/48/54/83/684485483.db2.gz AQJIOCAPSBAIPJ-IBGZPJMESA-N 1 0 363.527 2.486 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)Cc1csc(COc2ccccc2)n1 ZINC000868582228 684513772 /nfs/dbraw/zinc/51/37/72/684513772.db2.gz WOCPGRWKZNXWQB-UHFFFAOYSA-N 1 0 357.479 2.336 20 30 FEEDRO C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000868732928 684534737 /nfs/dbraw/zinc/53/47/37/684534737.db2.gz XDQFDGBJSUYBHB-RQJABVFESA-N 1 0 357.882 2.041 20 30 FEEDRO C[NH+](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(F)cc(C#N)c1 ZINC000869861447 684662520 /nfs/dbraw/zinc/66/25/20/684662520.db2.gz GEAGDSZBDBIJSX-AWEZNQCLSA-N 1 0 350.394 2.091 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)Nc1cc2n(n1)CC[N@H+](C)C2 ZINC000871928652 684884435 /nfs/dbraw/zinc/88/44/35/684884435.db2.gz IHWCAHKDSSHELM-AWEZNQCLSA-N 1 0 359.499 2.405 20 30 FEEDRO C=C(Cl)C[C@H](N)c1nc(-c2ccc(N3CC[NH+](CC)CC3)nc2)no1 ZINC000872177352 684924590 /nfs/dbraw/zinc/92/45/90/684924590.db2.gz HVLPRVHFPFKULX-AWEZNQCLSA-N 1 0 362.865 2.416 20 30 FEEDRO C#CCNC(=O)CC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)CC(C)(C)C1 ZINC000872221838 684929016 /nfs/dbraw/zinc/92/90/16/684929016.db2.gz ZEIYTRKGEWDPOW-HNNXBMFYSA-N 1 0 351.491 2.141 20 30 FEEDRO CS[C@H]1CN(S(=O)(=O)c2c(C)cccc2C#N)C[C@H]1[NH+]1CCCC1 ZINC000872476865 684959938 /nfs/dbraw/zinc/95/99/38/684959938.db2.gz BMMISXQYJRCEJT-CVEARBPZSA-N 1 0 365.524 2.067 20 30 FEEDRO C[C@]12C[NH2+]C[C@H]1CN(C(=O)N[C@H](c1cccc(C#N)c1)C(F)(F)F)C2 ZINC000873334482 685113770 /nfs/dbraw/zinc/11/37/70/685113770.db2.gz XHTHTGLHEMWVIZ-SQWLQELKSA-N 1 0 352.360 2.413 20 30 FEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC(C(=O)Nc2ccccc2OC)CC1 ZINC000876602563 686226630 /nfs/dbraw/zinc/22/66/30/686226630.db2.gz BQKAQUQMDVBASP-CQSZACIVSA-N 1 0 365.861 2.342 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)Nc1ccc(C(=O)NCCOC)c(Cl)c1 ZINC000876607228 686227992 /nfs/dbraw/zinc/22/79/92/686227992.db2.gz JUCDBGISHDFAIN-ZDUSSCGKSA-N 1 0 360.241 2.125 20 30 FEEDRO C[C@@H](CCC#N)C[NH+]1CCN(c2ccc(NS(C)(=O)=O)cc2)CC1 ZINC000876817276 686276423 /nfs/dbraw/zinc/27/64/23/686276423.db2.gz BVACHSDWQRQFKA-HNNXBMFYSA-N 1 0 350.488 2.120 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[C@H]1c1nc(C(=O)OCC)cs1 ZINC000876909865 686293522 /nfs/dbraw/zinc/29/35/22/686293522.db2.gz KYIMYWJAALJWNN-JQWIXIFHSA-N 1 0 357.863 2.453 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NCc1cccc(COC[C@@H]2CCCO2)c1 ZINC000876977895 686304006 /nfs/dbraw/zinc/30/40/06/686304006.db2.gz BXHNTLFKQPSLHO-IRXDYDNUSA-N 1 0 352.862 2.468 20 30 FEEDRO COC(=O)c1ccc(C[NH2+]C2CCN(CC#N)CC2)cc1Br ZINC000877013403 686310225 /nfs/dbraw/zinc/31/02/25/686310225.db2.gz QHVTYTDBVOCHFP-UHFFFAOYSA-N 1 0 366.259 2.313 20 30 FEEDRO C=CCOc1ccc(C(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)cc1OC ZINC000877367520 686366119 /nfs/dbraw/zinc/36/61/19/686366119.db2.gz DJPGCFOSGHFVDT-OLZOCXBDSA-N 1 0 358.360 2.469 20 30 FEEDRO CN(C)c1ccc(C#N)cc1C[N@@H+]1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC000877436480 686376732 /nfs/dbraw/zinc/37/67/32/686376732.db2.gz TVNQYPWGCSLYBN-ZDUSSCGKSA-N 1 0 354.376 2.125 20 30 FEEDRO CS(=O)(=O)[C@H]1CCC[C@@H]([NH2+]C2CCN(c3ccccc3C#N)CC2)C1 ZINC000877682817 686436726 /nfs/dbraw/zinc/43/67/26/686436726.db2.gz UIZAUIZQFDICLL-MSOLQXFVSA-N 1 0 361.511 2.472 20 30 FEEDRO C[C@@H]1C[NH+](C[C@H](O)c2ccc(Br)cc2)C[C@@H](C)N1CC#N ZINC000878771351 686655557 /nfs/dbraw/zinc/65/55/57/686655557.db2.gz JNMDPKOAVPWZMV-IOASZLSFSA-N 1 0 352.276 2.401 20 30 FEEDRO C[C@@H]1C[N@H+](C[C@@H](O)COc2ccc(C#N)cc2)CC[C@H](C(F)(F)F)O1 ZINC000880050402 686986604 /nfs/dbraw/zinc/98/66/04/686986604.db2.gz BYTCEURTIANHDH-XNRPHZJLSA-N 1 0 358.360 2.340 20 30 FEEDRO C=CCN1CC[C@H]([NH2+][C@@]2(c3ccc(Br)cc3)C[C@@H](O)C2)C1=O ZINC000880218119 687017465 /nfs/dbraw/zinc/01/74/65/687017465.db2.gz HPAHVVMISBCXIF-YQQAZPJKSA-N 1 0 365.271 2.176 20 30 FEEDRO CO[C@@]1(C(F)(F)F)CC[N@H+](C[C@@H](O)COc2ccc(CC#N)cc2)C1 ZINC000880301676 687029471 /nfs/dbraw/zinc/02/94/71/687029471.db2.gz WPYVZSAQSWVICQ-ZBFHGGJFSA-N 1 0 358.360 2.146 20 30 FEEDRO CO[C@]1(C(F)(F)F)CC[N@H+](C[C@@H](O)COc2ccc(CC#N)cc2)C1 ZINC000880301673 687029595 /nfs/dbraw/zinc/02/95/95/687029595.db2.gz WPYVZSAQSWVICQ-GDBMZVCRSA-N 1 0 358.360 2.146 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1C[C@H]2CN(C(C)=O)C[C@H]2C1 ZINC000880311259 687032236 /nfs/dbraw/zinc/03/22/36/687032236.db2.gz YYYLMEPJRLETNT-OIISXLGYSA-N 1 0 361.511 2.061 20 30 FEEDRO C[N@H+](CCCO)C1CCN(C(=O)Nc2cc(C#N)c(F)cc2F)CC1 ZINC000880715871 687077866 /nfs/dbraw/zinc/07/78/66/687077866.db2.gz INIJUQUKOROQDS-UHFFFAOYSA-N 1 0 352.385 2.147 20 30 FEEDRO C[C@@H](C#N)OCCn1cc([C@@H]([NH3+])c2ccc(Br)cc2)nn1 ZINC000881323526 687124201 /nfs/dbraw/zinc/12/42/01/687124201.db2.gz KMIJLHQETNTXDP-HZMBPMFUSA-N 1 0 350.220 2.017 20 30 FEEDRO C=CCCc1ccc(S(=O)(=O)NCCN2CCC([NH+](C)C)CC2)cc1 ZINC000881963647 687272033 /nfs/dbraw/zinc/27/20/33/687272033.db2.gz CTNDWXAUGPOCFA-UHFFFAOYSA-N 1 0 365.543 2.110 20 30 FEEDRO N#Cc1cnc(N2CCC([N@@H+]3CCCOCC3)CC2)c(Br)c1 ZINC000882446538 687367971 /nfs/dbraw/zinc/36/79/71/687367971.db2.gz FGCVLYMEAKMNKX-UHFFFAOYSA-N 1 0 365.275 2.407 20 30 FEEDRO CCC1([NH+]2CCCCC2)CCN(S(=O)(=O)N(C)[C@H](C)CC#N)CC1 ZINC000882618310 687410401 /nfs/dbraw/zinc/41/04/01/687410401.db2.gz OJJZWQFZEPAXCV-MRXNPFEDSA-N 1 0 356.536 2.196 20 30 FEEDRO NC(=[NH+]OCCCOC(F)(F)F)c1ccc(N2CCC(O)CC2)cc1 ZINC000882980250 687539942 /nfs/dbraw/zinc/53/99/42/687539942.db2.gz DNTRFCBGACNBMU-UHFFFAOYSA-N 1 0 361.364 2.211 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccc(Br)c(C#N)n2)CC1 ZINC000883086746 687560840 /nfs/dbraw/zinc/56/08/40/687560840.db2.gz DGTTZHGDGIEZPZ-UHFFFAOYSA-N 1 0 364.247 2.488 20 30 FEEDRO C[NH+](C)C1(CNC(=O)Nc2ccc(Br)c(C#N)n2)CCC1 ZINC000883104002 687566310 /nfs/dbraw/zinc/56/63/10/687566310.db2.gz MGWSXLHKZAEYMR-UHFFFAOYSA-N 1 0 352.236 2.322 20 30 FEEDRO C[N@@H+]1CC[C@H]2CN(C(=O)Nc3ccc(Br)c(C#N)n3)CC[C@H]21 ZINC000883121964 687571913 /nfs/dbraw/zinc/57/19/13/687571913.db2.gz WMQTYZVMJWCXGC-GXFFZTMASA-N 1 0 364.247 2.274 20 30 FEEDRO CS(=O)(=O)[C@H]1C[C@H]([NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000883379384 687618969 /nfs/dbraw/zinc/61/89/69/687618969.db2.gz ZESBYSPNLCYZKW-QAQDUYKDSA-N 1 0 358.467 2.129 20 30 FEEDRO C=C(Cl)CNC(=O)NCCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000883490077 687648951 /nfs/dbraw/zinc/64/89/51/687648951.db2.gz CFFRLVJVRMNJFF-UHFFFAOYSA-N 1 0 351.878 2.455 20 30 FEEDRO C=CC(C)(C)CCNC(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC000883736588 687713160 /nfs/dbraw/zinc/71/31/60/687713160.db2.gz GPZXJWIHTSUVGN-UHFFFAOYSA-N 1 0 350.507 2.104 20 30 FEEDRO N#C[C@@H]1C[NH2+]CC12CC(C(=O)N1CCc3cc(Br)ccc3C1)C2 ZINC000884322288 687848365 /nfs/dbraw/zinc/84/83/65/687848365.db2.gz JRHJTCSQJPQEMO-SWKXRBFHSA-N 1 0 374.282 2.473 20 30 FEEDRO N#C[C@H]1C[NH2+]CC12CC(C(=O)NC[C@@H](OC1CCCC1)C(F)(F)F)C2 ZINC000884400571 687863577 /nfs/dbraw/zinc/86/35/77/687863577.db2.gz LZVWUAJDAPPOJK-QRFPHZIJSA-N 1 0 359.392 2.132 20 30 FEEDRO C#CCN(C(=O)Cc1ccc(Br)cc1C#N)C1CC[NH+](C)CC1 ZINC000886574654 688278367 /nfs/dbraw/zinc/27/83/67/688278367.db2.gz NUDPYXGYFRPAGF-UHFFFAOYSA-N 1 0 374.282 2.419 20 30 FEEDRO C#CCN(C(=O)Cc1ccc(Br)cc1O)C1CC[NH+](C)CC1 ZINC000886577784 688278556 /nfs/dbraw/zinc/27/85/56/688278556.db2.gz XBTFGAVZXVGUTQ-UHFFFAOYSA-N 1 0 365.271 2.253 20 30 FEEDRO C#CCN(C(=O)C[C@H](c1nccn1C)C(F)(F)F)C1CC[NH+](C)CC1 ZINC000886576136 688278952 /nfs/dbraw/zinc/27/89/52/688278952.db2.gz YBOBEZGDWLVCLK-CQSZACIVSA-N 1 0 356.392 2.012 20 30 FEEDRO C#CCN(C(=O)c1sc2nc(C)nc(N)c2c1C)C1CC[NH+](C)CC1 ZINC000886579097 688279491 /nfs/dbraw/zinc/27/94/91/688279491.db2.gz XZHVNSCJDSHMKH-UHFFFAOYSA-N 1 0 357.483 2.060 20 30 FEEDRO C#CCN(C(=O)c1ccc2c(c1)NC(=O)[C@@H](C)S2)C1CC[NH+](C)CC1 ZINC000886587381 688280016 /nfs/dbraw/zinc/28/00/16/688280016.db2.gz UILSSHRZFFOWHB-CYBMUJFWSA-N 1 0 357.479 2.289 20 30 FEEDRO CC[NH+](CC)CCN(CCOC)C(=O)Nc1nc(Cl)c(C#N)s1 ZINC000888411067 688606611 /nfs/dbraw/zinc/60/66/11/688606611.db2.gz LRGIFMWLZREQEN-UHFFFAOYSA-N 1 0 359.883 2.490 20 30 FEEDRO COC1CC[NH+](CCNC(=O)NCc2ccc(SC)c(C#N)c2)CC1 ZINC000890452217 688922449 /nfs/dbraw/zinc/92/24/49/688922449.db2.gz LLIIXKJVWOXVOI-UHFFFAOYSA-N 1 0 362.499 2.190 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N2C[C@@H](C)N(CC(F)(F)F)[C@@H](C)C2)CC1 ZINC000892857675 689254533 /nfs/dbraw/zinc/25/45/33/689254533.db2.gz GDGCPMHBDMUWJT-OKILXGFUSA-N 1 0 362.440 2.303 20 30 FEEDRO COC(=O)[C@@H]1[C@H](C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)C1(F)F ZINC000893996141 689445786 /nfs/dbraw/zinc/44/57/86/689445786.db2.gz ZBHUIMGLFJCHLZ-HOTGVXAUSA-N 1 0 350.365 2.456 20 30 FEEDRO CCOc1cc(C[NH2+][C@@H]2CCCN(O)C2=O)ccc1OCC(F)(F)F ZINC000895167443 689670263 /nfs/dbraw/zinc/67/02/63/689670263.db2.gz WIJSDDIYFPRHSJ-GFCCVEGCSA-N 1 0 362.348 2.496 20 30 FEEDRO C[NH+](C)CCN(CCc1ccccc1)C(=O)NCc1nc(C#N)cs1 ZINC000897301690 690002847 /nfs/dbraw/zinc/00/28/47/690002847.db2.gz RBBGDLHZUTVBNG-UHFFFAOYSA-N 1 0 357.483 2.331 20 30 FEEDRO CCOC(=O)C1([C@@H](C)[NH2+]Cc2cc(C#N)cnc2Cl)CCOCC1 ZINC000897740972 690073364 /nfs/dbraw/zinc/07/33/64/690073364.db2.gz KGTOGNLTUHDGLX-GFCCVEGCSA-N 1 0 351.834 2.445 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)Nc1cccc(S(=O)(=O)NC(C)(C)C)c1 ZINC000899976522 690456187 /nfs/dbraw/zinc/45/61/87/690456187.db2.gz ZOVCCSRDWKAHRP-UHFFFAOYSA-N 1 0 353.488 2.210 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)[C@@H](O)c2cccc(Br)c2)CC1 ZINC000900798428 690563240 /nfs/dbraw/zinc/56/32/40/690563240.db2.gz MZXKPGLYECXAJF-INIZCTEOSA-N 1 0 365.271 2.086 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000901344258 690638164 /nfs/dbraw/zinc/63/81/64/690638164.db2.gz ROFXIPXAOFCREJ-HNNXBMFYSA-N 1 0 353.825 2.209 20 30 FEEDRO C[C@H]([NH3+])[C@@H]1CCCCN1S(=O)(=O)c1ccc(Br)c(C#N)c1 ZINC000903484371 690898430 /nfs/dbraw/zinc/89/84/30/690898430.db2.gz ZHJNPRUWIPANBP-HZMBPMFUSA-N 1 0 372.288 2.211 20 30 FEEDRO C[C@@H]([NH3+])C1CCN(S(=O)(=O)c2ccc(Br)c(C#N)c2)CC1 ZINC000903485377 690898896 /nfs/dbraw/zinc/89/88/96/690898896.db2.gz DDJRRLVUQKLMQB-SNVBAGLBSA-N 1 0 372.288 2.069 20 30 FEEDRO Cc1cc(C#N)cc(C)c1CS(=O)(=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000903513507 690906111 /nfs/dbraw/zinc/90/61/11/690906111.db2.gz BMQWHNYEDSWMOK-PKOBYXMFSA-N 1 0 361.511 2.469 20 30 FEEDRO C[NH2+]C[C@H]1CCCCN1S(=O)(=O)c1ccc(Br)c(C#N)c1 ZINC000903515898 690907199 /nfs/dbraw/zinc/90/71/99/690907199.db2.gz UMRYKPSTFOYEQD-GFCCVEGCSA-N 1 0 372.288 2.083 20 30 FEEDRO N#Cc1cc(S(=O)(=O)N2CCC[C@@H]3CC[C@@]32C[NH3+])ccc1C(F)(F)F ZINC000903536143 690915136 /nfs/dbraw/zinc/91/51/36/690915136.db2.gz ANXAUJUBPPKCHA-IUODEOHRSA-N 1 0 373.400 2.469 20 30 FEEDRO N#CCc1ccccc1S(=O)(=O)N1CCCc2cc(CC[NH3+])ccc21 ZINC000903598838 690936229 /nfs/dbraw/zinc/93/62/29/690936229.db2.gz GATACUHDYUXZKC-UHFFFAOYSA-N 1 0 355.463 2.395 20 30 FEEDRO COCC[C@@H]1C[NH2+]CCN1C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000904476325 691030357 /nfs/dbraw/zinc/03/03/57/691030357.db2.gz QMKAUDDQDJFHBF-CYBMUJFWSA-N 1 0 367.247 2.163 20 30 FEEDRO N#CCc1ccc(OC[C@H](O)C[NH2+]C[C@@H]2CC[C@@H](C(F)(F)F)O2)cc1 ZINC000905518135 691130819 /nfs/dbraw/zinc/13/08/19/691130819.db2.gz WYVWVEYIPWUINC-KBMXLJTQSA-N 1 0 358.360 2.192 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+]CCC2(c3ccccc3)CC2)nc1 ZINC000905523036 691132038 /nfs/dbraw/zinc/13/20/38/691132038.db2.gz YBSOCJGKMLPSFQ-UHFFFAOYSA-N 1 0 355.463 2.438 20 30 FEEDRO Cc1cc(CO)cc(C)c1C[NH2+]CCS(=O)(=O)c1cccc(C#N)c1 ZINC000905541403 691137059 /nfs/dbraw/zinc/13/70/59/691137059.db2.gz OOCWOSKXOMUTNF-UHFFFAOYSA-N 1 0 358.463 2.231 20 30 FEEDRO CCS(=O)(=O)c1ccccc1CC[NH2+]C[C@@H](O)c1ccc(C#N)cc1 ZINC000905562884 691141198 /nfs/dbraw/zinc/14/11/98/691141198.db2.gz ZUJVAUMEURVQLD-GOSISDBHSA-N 1 0 358.463 2.218 20 30 FEEDRO C[C@@H]1Cc2cc(C[NH2+]CCS(=O)(=O)c3ccc(C#N)cc3)ccc2O1 ZINC000905563774 691141490 /nfs/dbraw/zinc/14/14/90/691141490.db2.gz GQIVGDOWPIHQSI-CQSZACIVSA-N 1 0 356.447 2.445 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)N[C@@H](CCO)c1ccccc1Br ZINC000907291442 691443322 /nfs/dbraw/zinc/44/33/22/691443322.db2.gz JLIOPWJIAOMETG-HNNXBMFYSA-N 1 0 355.276 2.497 20 30 FEEDRO Cc1c(F)ccc2nc(Cl)c(C#N)c(N3CCN4CC[NH2+]C[C@H]4C3)c12 ZINC001164400314 718844994 /nfs/dbraw/zinc/84/49/94/718844994.db2.gz WEWHKNVYGIXKDF-LBPRGKRZSA-N 1 0 359.836 2.301 20 30 FEEDRO CCOC(=O)c1cc(C#N)c(Cl)nc1C(F)(F)N1CC[C@@H]2C[C@]2([NH3+])C1 ZINC001164422582 718895828 /nfs/dbraw/zinc/89/58/28/718895828.db2.gz WSADZESWDKKACH-BMIGLBTASA-N 1 0 370.787 2.256 20 30 FEEDRO C[N@@H+]1CCO[C@H]2CN(c3cc(F)c(C#N)cc3-c3ccnc(Cl)n3)C[C@H]21 ZINC001164668055 719397087 /nfs/dbraw/zinc/39/70/87/719397087.db2.gz PTBRLYDUCJUUOZ-SJORKVTESA-N 1 0 373.819 2.327 20 30 FEEDRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nc(C(C)C)ccc1C#N)CC2 ZINC001164682132 719702312 /nfs/dbraw/zinc/70/23/12/719702312.db2.gz BGYCGVXKWUECIN-UHFFFAOYSA-N 1 0 355.486 2.257 20 30 FEEDRO Cc1ccc(N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)nc1C#N ZINC001164813438 720222078 /nfs/dbraw/zinc/22/20/78/720222078.db2.gz MDJFOZIQGBCMPZ-UHFFFAOYSA-N 1 0 366.469 2.069 20 30 FEEDRO N#Cc1ccc2ccnc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)c2c1 ZINC001164741595 720676717 /nfs/dbraw/zinc/67/67/17/720676717.db2.gz UHRUFVVHCAJLGU-ROUUACIJSA-N 1 0 372.432 2.238 20 30 FEEDRO N#Cc1nc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)ccc1Cl ZINC001164870868 721053957 /nfs/dbraw/zinc/05/39/57/721053957.db2.gz WZIHLMPZWWJYTI-CVEARBPZSA-N 1 0 369.856 2.481 20 30 FEEDRO Cc1cc(C#N)c(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)nc1C ZINC001164865964 721077020 /nfs/dbraw/zinc/07/70/20/721077020.db2.gz QLFJPBSOLTZPTQ-VQTJNVASSA-N 1 0 363.465 2.445 20 30 FEEDRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ccc5c(C#N)c[nH]c5n4)C[C@@H]3C2)cn1 ZINC001164773301 721148770 /nfs/dbraw/zinc/14/87/70/721148770.db2.gz YBPNVZWBYRZPEN-WBVHZDCISA-N 1 0 361.453 2.126 20 30 FEEDRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ncc(CC#N)cc4Cl)C[C@@H]3C2)cn1 ZINC001164774500 721226581 /nfs/dbraw/zinc/22/65/81/721226581.db2.gz ZYBGWQDHYJPQCH-SJORKVTESA-N 1 0 370.888 2.493 20 30 FEEDRO Cc1ccnc(N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)c1C#N ZINC001164884964 721388124 /nfs/dbraw/zinc/38/81/24/721388124.db2.gz BEQTWEOWAPSUSM-WIYYLYMNSA-N 1 0 369.513 2.027 20 30 FEEDRO N#Cc1cnc(Cl)nc1N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164898535 721521015 /nfs/dbraw/zinc/52/10/15/721521015.db2.gz IIOJWRJGVDQDPR-ZBFHGGJFSA-N 1 0 373.819 2.483 20 30 FEEDRO Cc1cc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)nc(C#N)n1 ZINC001164903345 721538850 /nfs/dbraw/zinc/53/88/50/721538850.db2.gz CDFBZGAKXSZZTQ-NVXWUHKLSA-N 1 0 353.401 2.138 20 30 FEEDRO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2c1c(C#N)cnc2cnc(Cl)cc21 ZINC001164930455 721852451 /nfs/dbraw/zinc/85/24/51/721852451.db2.gz SATHLYRYTXCEAJ-IRXDYDNUSA-N 1 0 370.888 2.369 20 30 FEEDRO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2C(F)(F)c1cnc(Cl)c(C#N)c1 ZINC001164921904 721864786 /nfs/dbraw/zinc/86/47/86/721864786.db2.gz DNOYTQRMUQNXCC-GJZGRUSLSA-N 1 0 369.847 2.366 20 30 FEEDRO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2C(F)(F)c1cc(Cl)ncc1C#N ZINC001164921474 721865754 /nfs/dbraw/zinc/86/57/54/721865754.db2.gz CYNKAQFVWWERAZ-CABCVRRESA-N 1 0 369.847 2.366 20 30 FEEDRO C[C@@H]1CCN(C(=O)CNc2ccc(C#N)cn2)CC[N@@H+]1Cc1ccccc1 ZINC000502072298 813810018 /nfs/dbraw/zinc/81/00/18/813810018.db2.gz UATLEGPZCSNDEN-QGZVFWFLSA-N 1 0 363.465 2.488 20 30 FEEDRO N#CCCCS(=O)(=O)c1ccc(C(=O)OCCC[NH+]2CCCC2)cc1 ZINC000800156907 674027748 /nfs/dbraw/zinc/02/77/48/674027748.db2.gz VJJAWFCCIFJVNQ-UHFFFAOYSA-N 1 0 364.467 2.407 20 30 FEEDRO Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+](C)[C@@H](C)c3ccccc3)CC2)o1 ZINC000029717711 539862073 /nfs/dbraw/zinc/86/20/73/539862073.db2.gz CIQKYMNYCWJJHP-HNNXBMFYSA-N 1 0 367.453 2.196 20 30 FEEDRO CCCNC(=O)CN1CCC([NH2+]Cc2ccc(N(C)CCC#N)cc2)CC1 ZINC000030911915 539894010 /nfs/dbraw/zinc/89/40/10/539894010.db2.gz GSIQBGOBUZIGIC-UHFFFAOYSA-N 1 0 371.529 2.117 20 30 FEEDRO Cc1sc(NC(=O)C[NH2+][C@H](C2CC2)[C@]2(CO)CCCO2)c(C#N)c1C ZINC000550141622 674083433 /nfs/dbraw/zinc/08/34/33/674083433.db2.gz ZVPGUIHFCVUERJ-SJLPKXTDSA-N 1 0 363.483 2.085 20 30 FEEDRO C[NH+](C)C1(CNC(=O)N2CCN(c3cccc(F)c3C#N)CC2)CCCC1 ZINC000043146922 540091570 /nfs/dbraw/zinc/09/15/70/540091570.db2.gz HRQYRSNNSCSUHU-UHFFFAOYSA-N 1 0 373.476 2.403 20 30 FEEDRO COc1ccc(CNC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cn1 ZINC000045374850 540211450 /nfs/dbraw/zinc/21/14/50/540211450.db2.gz BYPYMMFXGHUVMO-UHFFFAOYSA-N 1 0 367.453 2.235 20 30 FEEDRO CCOc1ccc(N(CCC#N)C(=O)CN2CC[NH+](C(C)C)CC2)cc1 ZINC000045778984 540227506 /nfs/dbraw/zinc/22/75/06/540227506.db2.gz DNNVNPRXKSDLPT-UHFFFAOYSA-N 1 0 358.486 2.358 20 30 FEEDRO COc1cc(/C=C/C(=O)NCC[N@@H+]2CCC[C@@H](C)C2)ccc1OCC#N ZINC000046861992 540274342 /nfs/dbraw/zinc/27/43/42/540274342.db2.gz QONRVEWDVYGFKB-IQIBNGDESA-N 1 0 357.454 2.459 20 30 FEEDRO COc1cc(C[NH2+]Cc2ccc(C#N)cc2)ccc1OCC(=O)N(C)C ZINC000048713512 540371318 /nfs/dbraw/zinc/37/13/18/540371318.db2.gz PQZSSGCFICIURW-UHFFFAOYSA-N 1 0 353.422 2.324 20 30 FEEDRO COc1ccc(C#N)cc1NC(=O)C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000050173933 540402539 /nfs/dbraw/zinc/40/25/39/540402539.db2.gz HWQQQWNTOMYMIR-CQSZACIVSA-N 1 0 372.469 2.132 20 30 FEEDRO CCCNC(=O)[C@H]1CCC[N@H+](CC(=O)N(CCC#N)c2ccccc2)C1 ZINC000051003043 540419539 /nfs/dbraw/zinc/41/95/39/540419539.db2.gz RENGOLUZWTXKSX-KRWDZBQOSA-N 1 0 356.470 2.171 20 30 FEEDRO C=CCNC(=O)NC(=O)C[NH+]1CCC(CCc2ccc(OC)cc2)CC1 ZINC000053847373 540557636 /nfs/dbraw/zinc/55/76/36/540557636.db2.gz SIMGEUXSFUEMQW-UHFFFAOYSA-N 1 0 359.470 2.352 20 30 FEEDRO C=CCc1ccccc1OC[C@H](O)C[NH+]1CCC(NC(=O)C(C)C)CC1 ZINC000061023372 541124731 /nfs/dbraw/zinc/12/47/31/541124731.db2.gz IHMMHKQMTNOXKG-LJQANCHMSA-N 1 0 360.498 2.391 20 30 FEEDRO CCOCCC[NH+]=C(NCCn1ccnc1)NCc1ccc(OC)cc1 ZINC000066244993 541294664 /nfs/dbraw/zinc/29/46/64/541294664.db2.gz JCNRSCCJZHDFSU-UHFFFAOYSA-N 1 0 359.474 2.054 20 30 FEEDRO CCCC[N@H+](CCC(=O)Nc1ccc(C#N)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000066559149 541334884 /nfs/dbraw/zinc/33/48/84/541334884.db2.gz CWYLNXLNHYWEQT-QGZVFWFLSA-N 1 0 363.483 2.176 20 30 FEEDRO CCOc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000067345065 541447044 /nfs/dbraw/zinc/44/70/44/541447044.db2.gz UNLCNXZCOITINF-GJZGRUSLSA-N 1 0 372.469 2.275 20 30 FEEDRO CC(=O)NC[C@@H]1CCC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000067414815 541459701 /nfs/dbraw/zinc/45/97/01/541459701.db2.gz GFXDVJFFPBCVFH-AWEZNQCLSA-N 1 0 374.510 2.285 20 30 FEEDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)Nc3ccn(-c4cccc(F)c4C#N)n3)[C@H]2C1 ZINC000542839632 541484750 /nfs/dbraw/zinc/48/47/50/541484750.db2.gz IQTSYVBHWZPNDX-DYVFJYSZSA-N 1 0 368.416 2.441 20 30 FEEDRO CC(C)[NH+]1CCN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)CC1 ZINC000069474046 541688928 /nfs/dbraw/zinc/68/89/28/541688928.db2.gz DGSZVYYPEUQCJI-KRWDZBQOSA-N 1 0 373.476 2.402 20 30 FEEDRO CC(=O)N[C@H](CC(=O)N(CCC#N)CCC[NH+](C)C)c1ccc(C)cc1 ZINC000069576473 541698116 /nfs/dbraw/zinc/69/81/16/541698116.db2.gz JBMXOPWLYKFOAH-LJQANCHMSA-N 1 0 358.486 2.256 20 30 FEEDRO N#CCCCCS(=O)(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000069870274 541721308 /nfs/dbraw/zinc/72/13/08/541721308.db2.gz WMWTXIVYQZTRTR-UHFFFAOYSA-N 1 0 359.561 2.351 20 30 FEEDRO CC(C)[C@@](C)(C#N)NC(=O)CNc1ccccc1C[NH+]1CCC(CO)CC1 ZINC000072079576 541783382 /nfs/dbraw/zinc/78/33/82/541783382.db2.gz XPDMGEGZQCLUGR-OAQYLSRUSA-N 1 0 372.513 2.357 20 30 FEEDRO N#Cc1ccccc1CO[NH+]=C(N)c1ccc(N2CCC(O)CC2)cc1 ZINC000072921440 541893574 /nfs/dbraw/zinc/89/35/74/541893574.db2.gz KKDAHQOWWGVGAD-UHFFFAOYSA-N 1 0 350.422 2.356 20 30 FEEDRO COC(=O)[C@@H]1CCC[C@@H](C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)C1 ZINC000073108036 541918923 /nfs/dbraw/zinc/91/89/23/541918923.db2.gz YBQSNTCOYQAGJM-RTBURBONSA-N 1 0 371.481 2.428 20 30 FEEDRO CC[NH+](CC)CCSCC(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 ZINC000073681484 541986595 /nfs/dbraw/zinc/98/65/95/541986595.db2.gz FFIOAJVMJWMGTF-LJQANCHMSA-N 1 0 374.554 2.298 20 30 FEEDRO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[NH+]2CCC3(CNC(=O)C3)CC2)cc1 ZINC000075012636 542145249 /nfs/dbraw/zinc/14/52/49/542145249.db2.gz FPEQAKUVQUWWCS-KRWDZBQOSA-N 1 0 368.481 2.232 20 30 FEEDRO N#Cc1cccc(-c2nnc(CN3CCC[C@H](C[NH+]4CCOCC4)C3)o2)c1 ZINC000075739224 542201730 /nfs/dbraw/zinc/20/17/30/542201730.db2.gz NKHVOKDJUDGQSG-QGZVFWFLSA-N 1 0 367.453 2.152 20 30 FEEDRO C[C@H](NC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc(C#N)cc1 ZINC000077348636 542370520 /nfs/dbraw/zinc/37/05/20/542370520.db2.gz WMFXPVBKEVONRZ-RDJZCZTQSA-N 1 0 356.470 2.419 20 30 FEEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000077468630 542385199 /nfs/dbraw/zinc/38/51/99/542385199.db2.gz QKVHZNDMVKZGCJ-GJZGRUSLSA-N 1 0 361.515 2.448 20 30 FEEDRO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccc(F)c(C#N)c1)c1ccccc1 ZINC000077537925 542394481 /nfs/dbraw/zinc/39/44/81/542394481.db2.gz DPLRJKUWLWAAQW-QGZVFWFLSA-N 1 0 354.385 2.055 20 30 FEEDRO C[NH+]1CCC(C#N)(NC(=O)c2cccc(-c3noc(C4CC4)n3)c2)CC1 ZINC000080088172 542563655 /nfs/dbraw/zinc/56/36/55/542563655.db2.gz GUSOFYUGNHOEJC-UHFFFAOYSA-N 1 0 351.410 2.332 20 30 FEEDRO C[C@H]1C[C@@H](NC(=O)NC2CCN(CC#N)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000080122551 542567517 /nfs/dbraw/zinc/56/75/17/542567517.db2.gz NPSUCKMPMSUIGM-PXNSSMCTSA-N 1 0 369.513 2.327 20 30 FEEDRO C#CCN(Cc1ccc(F)cc1)C(=O)NC[C@@H](C)C[NH+]1CCN(CC)CC1 ZINC000080432900 542588958 /nfs/dbraw/zinc/58/89/58/542588958.db2.gz IEBXXJUUDBBWFB-GOSISDBHSA-N 1 0 374.504 2.244 20 30 FEEDRO C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 ZINC000080934451 542616207 /nfs/dbraw/zinc/61/62/07/542616207.db2.gz RZPTXZJQASZTRZ-ZWKOTPCHSA-N 1 0 362.433 2.461 20 30 FEEDRO C=C(C)COc1cccc(NC(=O)C(=O)N2CC[C@@H]3CC[C@H](C2)[N@@H+]3C)c1 ZINC000081171720 542637464 /nfs/dbraw/zinc/63/74/64/542637464.db2.gz PYLLWJHPMPBFQR-DLBZAZTESA-N 1 0 357.454 2.275 20 30 FEEDRO CC[NH+]=C(NCCc1nc(C(C)(C)C)cs1)N1CCN(C(C)=O)CC1 ZINC000081724177 542673536 /nfs/dbraw/zinc/67/35/36/542673536.db2.gz GTLMKBHBLIEMDA-UHFFFAOYSA-N 1 0 365.547 2.113 20 30 FEEDRO CC[N@H+](CC(=O)N1CCN([C@H](C#N)C(C)C)CC1)Cc1ccc(OC)cc1 ZINC000091540298 542811732 /nfs/dbraw/zinc/81/17/32/542811732.db2.gz CIYYDJAGIFJQMD-HXUWFJFHSA-N 1 0 372.513 2.209 20 30 FEEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(Nc2c(C#N)c(=O)n(C)c(=O)n2C)cc1 ZINC000091605774 542815860 /nfs/dbraw/zinc/81/58/60/542815860.db2.gz JWUKKMDABZQLLP-CQSZACIVSA-N 1 0 367.453 2.074 20 30 FEEDRO C[NH+](C)[C@@H]1CC[C@H](NC(=O)N2CCCN(c3ccccc3C#N)CC2)C1 ZINC000091760669 542824361 /nfs/dbraw/zinc/82/43/61/542824361.db2.gz CVOIFSAQIYOAHI-ZWKOTPCHSA-N 1 0 355.486 2.263 20 30 FEEDRO C[NH+]1CCC(NC(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)CC1 ZINC000092148775 542846441 /nfs/dbraw/zinc/84/64/41/542846441.db2.gz RKEQNMKJCXFBAR-UHFFFAOYSA-N 1 0 357.458 2.037 20 30 FEEDRO CN(CCC#N)C(=O)CC[NH+]1CCC(C(=O)N2CCc3ccccc32)CC1 ZINC000092803100 542888119 /nfs/dbraw/zinc/88/81/19/542888119.db2.gz JUVFLJSDPULONL-UHFFFAOYSA-N 1 0 368.481 2.050 20 30 FEEDRO C=CCOc1ccccc1C[NH+]1CCC(N(C)S(=O)(=O)CC)CC1 ZINC000093321013 542925867 /nfs/dbraw/zinc/92/58/67/542925867.db2.gz GOQKKHATARLDFU-UHFFFAOYSA-N 1 0 352.500 2.497 20 30 FEEDRO N#Cc1ccc2ncc(C[NH+]3CCC(CN4CCCCC4=O)CC3)n2c1 ZINC000093532101 542933457 /nfs/dbraw/zinc/93/34/57/542933457.db2.gz ZGSOUNLQICIPAX-UHFFFAOYSA-N 1 0 351.454 2.430 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)CCc2nc(-c3cccnc3)no2)CC1 ZINC000106036309 543186092 /nfs/dbraw/zinc/18/60/92/543186092.db2.gz MWDUBOMIIHAMJV-UHFFFAOYSA-N 1 0 355.442 2.221 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@@H](C)N2C(=O)c3ccc(C)cc3C2=O)CC1 ZINC000106037047 543186114 /nfs/dbraw/zinc/18/61/14/543186114.db2.gz ZXSWUSQIXYCFFC-OAHLLOKOSA-N 1 0 369.465 2.136 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C2CCN(C(=O)N(CC)CC)CC2)CC1 ZINC000106036487 543186430 /nfs/dbraw/zinc/18/64/30/543186430.db2.gz RXCRZZYMUUTDMJ-UHFFFAOYSA-N 1 0 364.534 2.317 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@@H](c2ccccc2)N2CCC(O)CC2)CC1 ZINC000106290651 543221473 /nfs/dbraw/zinc/22/14/73/543221473.db2.gz ACWNEULAFJNQDD-OAQYLSRUSA-N 1 0 371.525 2.341 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H](CO)Cc2c[nH]c3ccccc23)CC1 ZINC000106340790 543224082 /nfs/dbraw/zinc/22/40/82/543224082.db2.gz CBVRAAKLVYCJLI-SFHVURJKSA-N 1 0 370.497 2.411 20 30 FEEDRO C[C@H](C(=O)Nc1ccccc1C#N)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000106868705 543251719 /nfs/dbraw/zinc/25/17/19/543251719.db2.gz HURUPXUTJXIERM-HIFRSBDPSA-N 1 0 358.442 2.484 20 30 FEEDRO C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)c3ccc(C#N)cn3)cc2)C[C@H](C)O1 ZINC000107552110 543272170 /nfs/dbraw/zinc/27/21/70/543272170.db2.gz GDXNKSILKPBZEH-IYBDPMFKSA-N 1 0 364.449 2.492 20 30 FEEDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(C2CC2)nc(SC)c1C#N ZINC000108278045 543284741 /nfs/dbraw/zinc/28/47/41/543284741.db2.gz KHWSIIZXPXRKJK-AWEZNQCLSA-N 1 0 374.510 2.393 20 30 FEEDRO CC1CC[NH+](CCNC(=O)C(=O)Nc2ccccc2SCCC#N)CC1 ZINC000108606577 543297275 /nfs/dbraw/zinc/29/72/75/543297275.db2.gz AUUMDPDYUSUROT-UHFFFAOYSA-N 1 0 374.510 2.479 20 30 FEEDRO C=CC1CC[NH+](CC(=O)NCc2ccccc2CN2CCOCC2)CC1 ZINC000111258665 543389745 /nfs/dbraw/zinc/38/97/45/543389745.db2.gz ONWJMLXBWRCWDF-UHFFFAOYSA-N 1 0 357.498 2.033 20 30 FEEDRO C[NH+](C)CCN(C(=O)C(=O)Nc1ccc(C#N)c(Cl)c1)C1CCCC1 ZINC000112915899 543467620 /nfs/dbraw/zinc/46/76/20/543467620.db2.gz NRAHKJKKFOIAQZ-UHFFFAOYSA-N 1 0 362.861 2.483 20 30 FEEDRO CN(CC[NH+]1CCCC1)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000112750133 543463036 /nfs/dbraw/zinc/46/30/36/543463036.db2.gz ZMXXCWUOOIRZFI-QGZVFWFLSA-N 1 0 373.476 2.403 20 30 FEEDRO CCOc1ccc(N(CCC#N)C(=O)CN2CC[C@H](C[NH+](C)C)C2)cc1 ZINC000113515464 543489814 /nfs/dbraw/zinc/48/98/14/543489814.db2.gz NBCGFNAQXXAWRZ-QGZVFWFLSA-N 1 0 358.486 2.215 20 30 FEEDRO C[NH+](C)C[C@H]1CCN(CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC000114477985 543519458 /nfs/dbraw/zinc/51/94/58/543519458.db2.gz QMIPRZBMRWKNJV-MRXNPFEDSA-N 1 0 367.415 2.057 20 30 FEEDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)C(=O)N(CCC#N)c1ccc(C)cc1)CC2 ZINC000114803200 543537519 /nfs/dbraw/zinc/53/75/19/543537519.db2.gz RYVSXBLDBJKIBG-RDJZCZTQSA-N 1 0 366.469 2.135 20 30 FEEDRO C=CCOc1cccc(NC(=O)C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC000118112026 543645848 /nfs/dbraw/zinc/64/58/48/543645848.db2.gz LHMWLYRQDCWCGI-MRXNPFEDSA-N 1 0 359.470 2.427 20 30 FEEDRO N#CCCN(C(=O)CN1CCN(c2cccc(O)c2)CC1)c1ccccc1 ZINC000120695115 543683789 /nfs/dbraw/zinc/68/37/89/543683789.db2.gz YMCMUKKQMUGMEI-UHFFFAOYSA-N 1 0 364.449 2.461 20 30 FEEDRO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCCN(C(=O)C2CC2)CC1 ZINC000121290372 543692372 /nfs/dbraw/zinc/69/23/72/543692372.db2.gz MXZFSLAZWJRJOB-LJQANCHMSA-N 1 0 358.482 2.099 20 30 FEEDRO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CCC[C@H](Cn2ccnn2)C1 ZINC000119032835 543662643 /nfs/dbraw/zinc/66/26/43/543662643.db2.gz AJNXPIYPTRJGPF-NRGCRIOASA-N 1 0 372.517 2.309 20 30 FEEDRO C=C(C)COc1cccc(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000119433436 543667698 /nfs/dbraw/zinc/66/76/98/543667698.db2.gz LKIDJHDABLENML-QAPCUYQASA-N 1 0 359.470 2.379 20 30 FEEDRO C=C(C)COc1cccc(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000119433603 543667892 /nfs/dbraw/zinc/66/78/92/543667892.db2.gz LKIDJHDABLENML-YJBOKZPZSA-N 1 0 359.470 2.379 20 30 FEEDRO C=CC[N@@H+](CCCN1C(=O)NC(C)(C)C1=O)Cc1cccc([N+](=O)[O-])c1 ZINC000119637354 543669687 /nfs/dbraw/zinc/66/96/87/543669687.db2.gz WBVKPGYMVASICS-UHFFFAOYSA-N 1 0 360.414 2.303 20 30 FEEDRO N#Cc1ccc2ncc(C[NH2+]CC(=O)Nc3ccc(F)c(F)c3F)n2c1 ZINC000123162344 543746032 /nfs/dbraw/zinc/74/60/32/543746032.db2.gz JKFWDKXQYJYISB-UHFFFAOYSA-N 1 0 359.311 2.352 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)OCC(=O)N[C@H]2CCCc3ccccc32)CC1 ZINC000122543535 543709176 /nfs/dbraw/zinc/70/91/76/543709176.db2.gz KHQHFFIOFYDMHU-IBGZPJMESA-N 1 0 354.450 2.069 20 30 FEEDRO C[NH+](C)Cc1ccccc1CNS(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000124087999 543800181 /nfs/dbraw/zinc/80/01/81/543800181.db2.gz TVXWCLDQIKBMSO-UHFFFAOYSA-N 1 0 365.405 2.377 20 30 FEEDRO CC(C)[NH+]1CCN(c2cccc(N[C@@H](C)C(=O)N(C)CCC#N)c2)CC1 ZINC000125026813 543856678 /nfs/dbraw/zinc/85/66/78/543856678.db2.gz TWSKDZLRYPYEDF-KRWDZBQOSA-N 1 0 357.502 2.389 20 30 FEEDRO C=C(C)C[N@@H+](CC)[C@H](C)C(=O)NCc1ccc(CN2CCOCC2)cc1 ZINC000125957259 543910989 /nfs/dbraw/zinc/91/09/89/543910989.db2.gz YKLLVTAYXQPFAX-GOSISDBHSA-N 1 0 359.514 2.422 20 30 FEEDRO C[NH+]=C(NC[C@@H]1CCOc2ccccc21)N1CC[C@H](c2cnn(C)c2)C1 ZINC000126902223 543962401 /nfs/dbraw/zinc/96/24/01/543962401.db2.gz QDFJXKDTMOFRSS-HOTGVXAUSA-N 1 0 353.470 2.351 20 30 FEEDRO N#Cc1ccc([C@@H](O)C[NH2+][C@@H](CN2CCOCC2)c2ccccc2)cc1 ZINC000126904771 543963069 /nfs/dbraw/zinc/96/30/69/543963069.db2.gz VVJAKWFIZCRQLC-SFTDATJTSA-N 1 0 351.450 2.255 20 30 FEEDRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)c2ccc(C#N)c(Cl)c2)CC1 ZINC000126920202 543963707 /nfs/dbraw/zinc/96/37/07/543963707.db2.gz OIMDNHGGIJFTBP-QGZVFWFLSA-N 1 0 360.889 2.454 20 30 FEEDRO C[C@H]1C[C@H](NC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)C[N@@H+]1C1CC1 ZINC000127834203 544016201 /nfs/dbraw/zinc/01/62/01/544016201.db2.gz AZBPLNZRKPIONS-HOCLYGCPSA-N 1 0 371.460 2.154 20 30 FEEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)[C@H](C)C1 ZINC000127289095 543983545 /nfs/dbraw/zinc/98/35/45/543983545.db2.gz VCVGIJZTEGKTMH-WBMJQRKESA-N 1 0 362.861 2.339 20 30 FEEDRO CC[N@H+](C)Cc1cccc(CNC(=O)C(=O)Nc2ccc(C#N)cc2)c1 ZINC000128806006 544074144 /nfs/dbraw/zinc/07/41/44/544074144.db2.gz HJEMZDBWDVQUCA-UHFFFAOYSA-N 1 0 350.422 2.265 20 30 FEEDRO CC(C)[N@H+](C)CC(=O)N1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000129343042 544106788 /nfs/dbraw/zinc/10/67/88/544106788.db2.gz MKKDHQODXQNCBK-UHFFFAOYSA-N 1 0 351.454 2.095 20 30 FEEDRO Cc1cc(C)n(-c2ccc(C(=O)N(CCC#N)CCC[NH+](C)C)cn2)n1 ZINC000130771177 544163836 /nfs/dbraw/zinc/16/38/36/544163836.db2.gz DIWGWTGDGHOVLU-UHFFFAOYSA-N 1 0 354.458 2.192 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@H]2CN(Cc3ccccc3)CCO2)CC1 ZINC000133060778 544254434 /nfs/dbraw/zinc/25/44/34/544254434.db2.gz NSAWHXVIDBSDCO-HXUWFJFHSA-N 1 0 357.498 2.044 20 30 FEEDRO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3CCC[C@H]3CCC(C)C)CC2)o1 ZINC000135315511 544341681 /nfs/dbraw/zinc/34/16/81/544341681.db2.gz RBNCFBPAGDMKGG-KRWDZBQOSA-N 1 0 373.501 2.404 20 30 FEEDRO C[NH+](C)[C@H](CNS(=O)(=O)c1ccc(C#N)cc1F)Cc1ccccc1 ZINC000151017035 544496274 /nfs/dbraw/zinc/49/62/74/544496274.db2.gz PPOBNHHUCDGMPR-INIZCTEOSA-N 1 0 361.442 2.149 20 30 FEEDRO N#Cc1cc(S(=O)(=O)N2CC[C@H](C[NH+]3CCCC3)C2)ccc1Cl ZINC000151616288 544562660 /nfs/dbraw/zinc/56/26/60/544562660.db2.gz NPVBARWGRWJPHS-CYBMUJFWSA-N 1 0 353.875 2.318 20 30 FEEDRO N#Cc1ccc2ncc(C[NH2+][C@H]3CCN(C(=O)C4CCCCC4)C3)n2c1 ZINC000152538221 544665661 /nfs/dbraw/zinc/66/56/61/544665661.db2.gz CNFMVCRISDJTMP-KRWDZBQOSA-N 1 0 351.454 2.477 20 30 FEEDRO CCO[C@H]1C[C@@H](O)C12CC[NH+](CCC(=O)Nc1cccc(C#N)c1)CC2 ZINC000152706480 544685694 /nfs/dbraw/zinc/68/56/94/544685694.db2.gz PSAWJNZDMXQRFU-MSOLQXFVSA-N 1 0 357.454 2.139 20 30 FEEDRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N2CCO[C@@H](C#N)C2)C1 ZINC000247536240 549352958 /nfs/dbraw/zinc/35/29/58/549352958.db2.gz CNHDIZUEJXLYGT-APWZRJJASA-N 1 0 356.470 2.352 20 30 FEEDRO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1CCC(OCCCO)CC1 ZINC000154834626 544956509 /nfs/dbraw/zinc/95/65/09/544956509.db2.gz UKXYWPZSSMUWDP-OHTSDLOESA-N 1 0 365.518 2.169 20 30 FEEDRO C[C@@H]([NH2+]C[C@H](O)c1ccc(C#N)cc1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000180539575 327689952 /nfs/dbraw/zinc/68/99/52/327689952.db2.gz QRIFWCCPIQUQNR-KUHUBIRLSA-N 1 0 373.478 2.193 20 30 FEEDRO CN(C[C@@H](O)c1ccc(C#N)cc1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188293690 328078866 /nfs/dbraw/zinc/07/88/66/328078866.db2.gz MFVQDTXUNCIRBN-FGZHOGPDSA-N 1 0 365.477 2.160 20 30 FEEDRO COCCO[C@H]1CC[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000189664305 328160781 /nfs/dbraw/zinc/16/07/81/328160781.db2.gz HQHJMCLDSPHHBJ-HNNXBMFYSA-N 1 0 351.834 2.278 20 30 FEEDRO N#Cc1ccc(OC[C@@H](O)C[NH+]2CCC(Oc3ccc(F)nc3)CC2)cc1 ZINC000190480396 328210241 /nfs/dbraw/zinc/21/02/41/328210241.db2.gz VKTSOPAVCGLXOV-INIZCTEOSA-N 1 0 371.412 2.375 20 30 FEEDRO CCN(CCC[NH+]1CCCC1)C(=O)C(=O)Nc1ccc(Cl)c(C#N)c1 ZINC000190697906 328225836 /nfs/dbraw/zinc/22/58/36/328225836.db2.gz WEVNSCGIRWDZAH-UHFFFAOYSA-N 1 0 362.861 2.485 20 30 FEEDRO CC(C)N(C)S(=O)(=O)c1ccc(C[NH2+]Cc2cc(C#N)n(C)c2)cc1 ZINC000190869517 328237383 /nfs/dbraw/zinc/23/73/83/328237383.db2.gz MLITUAFOKLIGMF-UHFFFAOYSA-N 1 0 360.483 2.215 20 30 FEEDRO CC(C)C[C@]1(CO)CCC[N@@H+]1CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000191657326 328276173 /nfs/dbraw/zinc/27/61/73/328276173.db2.gz DRWYJXUXTCOLEL-SFHVURJKSA-N 1 0 350.484 2.205 20 30 FEEDRO CN(CC(=O)OC(C)(C)C)C1CCN(C(=O)c2cc(C#N)cs2)CC1 ZINC000191904019 328287811 /nfs/dbraw/zinc/28/78/11/328287811.db2.gz HZHJABYXXSANQK-UHFFFAOYSA-N 1 0 363.483 2.498 20 30 FEEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+][C@@H]2CCO[C@H]2c2ccccc2)c1 ZINC000191951461 328290202 /nfs/dbraw/zinc/29/02/02/328290202.db2.gz OOJJPJQXOWIZTO-MOPGFXCFSA-N 1 0 356.447 2.452 20 30 FEEDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)C1CCN(c2oc(C)nc2C#N)CC1 ZINC000193225748 328363697 /nfs/dbraw/zinc/36/36/97/328363697.db2.gz STKRNQBBLJBMND-MRXNPFEDSA-N 1 0 359.474 2.062 20 30 FEEDRO CCOc1ccc(C#N)cc1NC(=O)NC[C@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000193620594 328385921 /nfs/dbraw/zinc/38/59/21/328385921.db2.gz ZOMLUJKGNQHOBC-GOSISDBHSA-N 1 0 373.501 2.350 20 30 FEEDRO CCOc1ccc(C#N)cc1NC(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000193627453 328386485 /nfs/dbraw/zinc/38/64/85/328386485.db2.gz IMLXFHCKJMNRAP-UHFFFAOYSA-N 1 0 359.474 2.104 20 30 FEEDRO N#Cc1cc(NC(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)ccc1Cl ZINC000193705909 328390497 /nfs/dbraw/zinc/39/04/97/328390497.db2.gz SRMAVTSRGLZDFH-UHFFFAOYSA-N 1 0 360.845 2.141 20 30 FEEDRO COc1cc(CNC(=O)c2cccc(C#N)c2)ccc1OCC[NH+](C)C ZINC000194854774 328443606 /nfs/dbraw/zinc/44/36/06/328443606.db2.gz GWTJFWVKQRYNFV-UHFFFAOYSA-N 1 0 353.422 2.437 20 30 FEEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)Cc1ccc2c(c1)OCO2 ZINC000195141515 328457950 /nfs/dbraw/zinc/45/79/50/328457950.db2.gz MLLXTONSURQHIP-UHFFFAOYSA-N 1 0 365.433 2.420 20 30 FEEDRO C[C@H]([NH2+]C[C@@H](O)COc1ccc(C#N)cc1)c1ccc(-n2cncn2)cc1 ZINC000012900115 324373154 /nfs/dbraw/zinc/37/31/54/324373154.db2.gz NHDJXRCRIOPCQH-HNAYVOBHSA-N 1 0 363.421 2.229 20 30 FEEDRO CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@H](C[NH+](CC)CC)C1 ZINC000076645988 324957880 /nfs/dbraw/zinc/95/78/80/324957880.db2.gz GZJGIZLFFHRWJC-MRXNPFEDSA-N 1 0 372.469 2.086 20 30 FEEDRO N#Cc1ccccc1OCC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000081667832 325192163 /nfs/dbraw/zinc/19/21/63/325192163.db2.gz ZYRJJKPRXWBUMU-UHFFFAOYSA-N 1 0 371.481 2.336 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H]2C[C@@H]2c2cc(F)ccc2F)c1C#N ZINC000089675020 325326673 /nfs/dbraw/zinc/32/66/73/325326673.db2.gz YYUKHSWZOHMSHS-DGCLKSJQSA-N 1 0 359.380 2.454 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2cc3ccccc3c(OC)n2)c1C#N ZINC000089676108 325326813 /nfs/dbraw/zinc/32/68/13/325326813.db2.gz NKVKZVAOELAFBO-UHFFFAOYSA-N 1 0 364.409 2.242 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2c[nH]nc2-c2ccccc2F)c1C#N ZINC000089675722 325326868 /nfs/dbraw/zinc/32/68/68/325326868.db2.gz KKRWGIQESVRGEG-UHFFFAOYSA-N 1 0 367.388 2.215 20 30 FEEDRO N#Cc1c[nH]c(C(=O)NCCc2ccc(OCC[NH+]3CCCC3)cc2)c1 ZINC000091631138 325389413 /nfs/dbraw/zinc/38/94/13/325389413.db2.gz WOKADAVHYDSNSB-UHFFFAOYSA-N 1 0 352.438 2.333 20 30 FEEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)NCC[NH+]1CCCCCC1 ZINC000097258580 325459764 /nfs/dbraw/zinc/45/97/64/325459764.db2.gz ZSLYKFKWNOMUKY-UHFFFAOYSA-N 1 0 372.469 2.276 20 30 FEEDRO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccc(F)c(C#N)c1)c1cccc(F)c1 ZINC000102962287 325502490 /nfs/dbraw/zinc/50/24/90/325502490.db2.gz LUGSCKAVULXHAJ-KRWDZBQOSA-N 1 0 372.375 2.194 20 30 FEEDRO N#Cc1cccc(OCC[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000118866364 326109876 /nfs/dbraw/zinc/10/98/76/326109876.db2.gz GHCPNANDIWYMSY-HNNXBMFYSA-N 1 0 353.382 2.427 20 30 FEEDRO Cn1cc(C(=O)NCC2CC[NH+](Cc3ccc(F)c(C#N)c3)CC2)cn1 ZINC000119972778 326217362 /nfs/dbraw/zinc/21/73/62/326217362.db2.gz NJIMJPHEWBQMPY-UHFFFAOYSA-N 1 0 355.417 2.073 20 30 FEEDRO N#Cc1cc(S(=O)(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)ccc1F ZINC000121626920 326353264 /nfs/dbraw/zinc/35/32/64/326353264.db2.gz YIGXVGVUARGFBZ-FZKQIMNGSA-N 1 0 363.458 2.335 20 30 FEEDRO N#Cc1cccc(CS(=O)(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000121639696 326353870 /nfs/dbraw/zinc/35/38/70/326353870.db2.gz AINWWYAXWFPUDS-IEBWSBKVSA-N 1 0 359.495 2.337 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(F)c1 ZINC000121715098 326360692 /nfs/dbraw/zinc/36/06/92/326360692.db2.gz FXVWCZIKYHIUQC-PBHICJAKSA-N 1 0 363.458 2.335 20 30 FEEDRO C[N@@H+]1CCC[C@@H]2CN(S(=O)(=O)c3ccc(C#N)c(Cl)c3)CC[C@@H]21 ZINC000122438474 326396919 /nfs/dbraw/zinc/39/69/19/326396919.db2.gz BTOPUOIAJNHKPN-CJNGLKHVSA-N 1 0 353.875 2.316 20 30 FEEDRO CC1CCC([NH+]2CCN(C(=O)C(=O)Nc3ccc(C#N)cc3F)CC2)CC1 ZINC000136302795 326651573 /nfs/dbraw/zinc/65/15/73/326651573.db2.gz HNBPTQSDMUGUNM-UHFFFAOYSA-N 1 0 372.444 2.359 20 30 FEEDRO N#Cc1ccc(SCC(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)cc1 ZINC000136960613 326656721 /nfs/dbraw/zinc/65/67/21/326656721.db2.gz PCZSQSCHYSGYMC-INIZCTEOSA-N 1 0 359.495 2.267 20 30 FEEDRO C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)c1c(F)cc(C#N)cc1F ZINC000152418935 326706776 /nfs/dbraw/zinc/70/67/76/326706776.db2.gz OIGSCAZECDTQLG-UHFFFAOYSA-N 1 0 358.348 2.249 20 30 FEEDRO CCO[C@H]1C[C@@H](O)C12CC[NH+](CCC(=O)Nc1ccc(C#N)cc1)CC2 ZINC000152945814 326720253 /nfs/dbraw/zinc/72/02/53/326720253.db2.gz FQSVXOIXNDBKKV-MSOLQXFVSA-N 1 0 357.454 2.139 20 30 FEEDRO C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000158350803 326892970 /nfs/dbraw/zinc/89/29/70/326892970.db2.gz IKDBPARPQFFWAG-YLJYHZDGSA-N 1 0 371.481 2.429 20 30 FEEDRO N#Cc1ccc(F)c(CS(=O)(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)c1 ZINC000162079616 327016362 /nfs/dbraw/zinc/01/63/62/327016362.db2.gz OUJLBQBGDHCQCG-QGZVFWFLSA-N 1 0 365.474 2.477 20 30 FEEDRO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)c2ccc(C#N)cn2)cc1 ZINC000170966710 327110567 /nfs/dbraw/zinc/11/05/67/327110567.db2.gz ZKWIPXDMXRBRKQ-UHFFFAOYSA-N 1 0 365.437 2.277 20 30 FEEDRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)CNC(=O)c2ccc(C#N)cc2)C1 ZINC000171112644 327119032 /nfs/dbraw/zinc/11/90/32/327119032.db2.gz LBGJQAFRXAZSTN-IRXDYDNUSA-N 1 0 370.497 2.162 20 30 FEEDRO Cc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000172299888 327193867 /nfs/dbraw/zinc/19/38/67/327193867.db2.gz ZATDNPJODLHNMU-GOSISDBHSA-N 1 0 368.412 2.363 20 30 FEEDRO Cc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000173282199 327246554 /nfs/dbraw/zinc/24/65/54/327246554.db2.gz IJMNADYLRXWDAS-SJORKVTESA-N 1 0 354.454 2.279 20 30 FEEDRO CC[NH+](CC)[C@H]1CCN(C(=O)CCc2c(C)nc3c(C#N)cnn3c2C)C1 ZINC000174160740 327309584 /nfs/dbraw/zinc/30/95/84/327309584.db2.gz VZFMQOGNFQFYLE-KRWDZBQOSA-N 1 0 368.485 2.093 20 30 FEEDRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2ccc(OC)c(C#N)c2)cc1 ZINC000174300801 327318127 /nfs/dbraw/zinc/31/81/27/327318127.db2.gz BBXMVJJZCKYSBT-CYBMUJFWSA-N 1 0 359.451 2.326 20 30 FEEDRO Cc1cccc(NC(=O)C(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1C#N ZINC000174636036 327340366 /nfs/dbraw/zinc/34/03/66/327340366.db2.gz ROMDIVFRHJYXJD-GASCZTMLSA-N 1 0 356.470 2.289 20 30 FEEDRO C[C@H](Oc1ccccc1C#N)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000175123024 327375440 /nfs/dbraw/zinc/37/54/40/327375440.db2.gz QUPKJSUJSRMFJD-KRWDZBQOSA-N 1 0 371.481 2.429 20 30 FEEDRO N#Cc1cc(F)ccc1NC(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000175994306 327426932 /nfs/dbraw/zinc/42/69/32/327426932.db2.gz MPIOYUQWXRLABJ-INIZCTEOSA-N 1 0 358.417 2.113 20 30 FEEDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N2CCN(c3cccc(F)c3C#N)CC2)C1 ZINC000176572304 327463976 /nfs/dbraw/zinc/46/39/76/327463976.db2.gz MQLPOHZKWNUSIB-JKSUJKDBSA-N 1 0 373.476 2.402 20 30 FEEDRO C[C@H]([NH2+][C@@H]1CCCC[C@H]1C(N)=O)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000249406075 328768276 /nfs/dbraw/zinc/76/82/76/328768276.db2.gz WOKJUIIQLMDBKG-ZKYQVNSYSA-N 1 0 360.483 2.069 20 30 FEEDRO C[C@H](NC(=O)N(C)CC[N@H+](C)C1CCN(C)CC1)c1ccc(C#N)cc1 ZINC000264279316 329006972 /nfs/dbraw/zinc/00/69/72/329006972.db2.gz REEXSPPKHNYROT-INIZCTEOSA-N 1 0 357.502 2.287 20 30 FEEDRO C[C@@H](CNC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)[NH+](C)C ZINC000264638982 329043456 /nfs/dbraw/zinc/04/34/56/329043456.db2.gz YYOSBXMKIHNUSA-AWEZNQCLSA-N 1 0 366.421 2.355 20 30 FEEDRO N#Cc1ccc(N2CCC([NH2+][C@H]3CCN(CC(F)(F)F)C3=O)CC2)cc1 ZINC000265118098 329092903 /nfs/dbraw/zinc/09/29/03/329092903.db2.gz CQGIVTGWVNFWNB-INIZCTEOSA-N 1 0 366.387 2.280 20 30 FEEDRO CN1CC[C@@H]([N@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C1=O ZINC000265676396 329149249 /nfs/dbraw/zinc/14/92/49/329149249.db2.gz ZJMOWUIFEWUVPX-OAHLLOKOSA-N 1 0 374.510 2.380 20 30 FEEDRO CC[NH+](CC)CCN(CCOC)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000267367244 329319667 /nfs/dbraw/zinc/31/96/67/329319667.db2.gz JOSSRGCWNVQWQD-UHFFFAOYSA-N 1 0 357.458 2.398 20 30 FEEDRO N#Cc1ccc(NC(=O)CC[NH+]2CCN(c3cncc(F)c3)CC2)cc1 ZINC000270924986 329645760 /nfs/dbraw/zinc/64/57/60/329645760.db2.gz PKPMRVFQHMOYTL-UHFFFAOYSA-N 1 0 353.401 2.243 20 30 FEEDRO CC(=O)Nc1cccc([C@@H](C)[NH2+]CC(=O)NCc2ccc(C#N)cc2)c1 ZINC000271829363 329729031 /nfs/dbraw/zinc/72/90/31/329729031.db2.gz WRHAONRPJJCOIG-CQSZACIVSA-N 1 0 350.422 2.484 20 30 FEEDRO N#Cc1ccc(N2CCC[C@H]([NH2+]Cc3cc(C(N)=O)cs3)C2=O)cc1 ZINC000272533440 329789148 /nfs/dbraw/zinc/78/91/48/329789148.db2.gz KHPMTBCBMXBJPL-INIZCTEOSA-N 1 0 354.435 2.004 20 30 FEEDRO N#Cc1cccc(OCCC[N@H+]2CC[C@H](C(=O)NCC(F)(F)F)C2)c1 ZINC000275087753 330009111 /nfs/dbraw/zinc/00/91/11/330009111.db2.gz GYKZYYRROQSEOS-AWEZNQCLSA-N 1 0 355.360 2.328 20 30 FEEDRO C[NH+]1CCC(CNC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)CC1 ZINC000367151099 330223174 /nfs/dbraw/zinc/22/31/74/330223174.db2.gz MHSOICZLKJRJBW-UHFFFAOYSA-N 1 0 358.461 2.372 20 30 FEEDRO C#CCCCS(=O)(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCOCC1 ZINC000805004039 674311926 /nfs/dbraw/zinc/31/19/26/674311926.db2.gz XVTBXPNXSGWJQG-KRWDZBQOSA-N 1 0 364.511 2.219 20 30 FEEDRO CSC1(CNS(=O)(=O)c2ccc(C#N)c(Cl)c2)CC[NH+](C)CC1 ZINC000554971279 674343892 /nfs/dbraw/zinc/34/38/92/674343892.db2.gz ZJNMXJLLHCILNQ-UHFFFAOYSA-N 1 0 373.931 2.317 20 30 FEEDRO COCCO[C@H]1COCC[C@@H]1[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC000555104468 674347774 /nfs/dbraw/zinc/34/77/74/674347774.db2.gz ZBATUAMVHOUANW-HOTGVXAUSA-N 1 0 358.360 2.487 20 30 FEEDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)Nc2ccc(F)cc2C#N)C1 ZINC000155476693 545531254 /nfs/dbraw/zinc/53/12/54/545531254.db2.gz HQZSPDXCDYOGNC-CQSZACIVSA-N 1 0 360.433 2.120 20 30 FEEDRO CC(C)CCC[C@H](C)NC(=O)CN1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000155677684 545556920 /nfs/dbraw/zinc/55/69/20/545556920.db2.gz RPOMJWRGJLLBEQ-IRXDYDNUSA-N 1 0 372.517 2.190 20 30 FEEDRO Cc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000155963672 545587388 /nfs/dbraw/zinc/58/73/88/545587388.db2.gz SPXXHJBGWAVCTL-APWZRJJASA-N 1 0 366.465 2.281 20 30 FEEDRO CN(C)[C@@H](CNS(=O)(=O)c1ccc(F)cc1C#N)c1cccs1 ZINC000156131978 545601796 /nfs/dbraw/zinc/60/17/96/545601796.db2.gz LVUMDXHHYOPHMK-ZDUSSCGKSA-N 1 0 353.444 2.340 20 30 FEEDRO N#Cc1cccc(S(=O)(=O)CCN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000156937354 545680697 /nfs/dbraw/zinc/68/06/97/545680697.db2.gz HSCWXMLREMIGKS-YLJYHZDGSA-N 1 0 373.522 2.281 20 30 FEEDRO N#Cc1ccc(CCC(=O)NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000159357627 545946342 /nfs/dbraw/zinc/94/63/42/545946342.db2.gz BTEJDPZQGCMLCT-OAQYLSRUSA-N 1 0 363.461 2.026 20 30 FEEDRO COc1c[nH+]ccc1N1CCN(C(=O)C2(c3ccc(C#N)cc3)CC2)CC1 ZINC000478454701 561167317 /nfs/dbraw/zinc/16/73/17/561167317.db2.gz RZJDJBAANJBYRG-UHFFFAOYSA-N 1 0 362.433 2.342 20 30 FEEDRO N#Cc1cccc(/C=C/C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)c1 ZINC000160157486 546012746 /nfs/dbraw/zinc/01/27/46/546012746.db2.gz BTEKDVRFISKVSE-MQFDZRFESA-N 1 0 353.466 2.456 20 30 FEEDRO CCN(CC(=O)NCc1ccc(F)cc1)Cc1cnc2ccc(C#N)cn12 ZINC000160232655 546020719 /nfs/dbraw/zinc/02/07/19/546020719.db2.gz OJILFMRVRCSKDQ-UHFFFAOYSA-N 1 0 365.412 2.483 20 30 FEEDRO CCOC(=O)CC[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000162148792 546136282 /nfs/dbraw/zinc/13/62/82/546136282.db2.gz FXFLANJKIYJKFN-BXWFABGCSA-N 1 0 351.491 2.485 20 30 FEEDRO N#CC1(NC(=O)C[C@H]2CN(Cc3ccccc3)CCO2)CCSCC1 ZINC000162307430 546138541 /nfs/dbraw/zinc/13/85/41/546138541.db2.gz ZISPGCIEZQLNKG-KRWDZBQOSA-N 1 0 359.495 2.183 20 30 FEEDRO CC[N@@H+]1CCCN(C(=O)C(=O)Nc2ccccc2SC[C@@H](C)C#N)CC1 ZINC000163271061 546144082 /nfs/dbraw/zinc/14/40/82/546144082.db2.gz UBSUIZFQDISZCU-HNNXBMFYSA-N 1 0 374.510 2.431 20 30 FEEDRO N#CC1(CS(=O)(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)CC1 ZINC000164974332 546152203 /nfs/dbraw/zinc/15/22/03/546152203.db2.gz NCXDUYYBDDYIQS-AWEZNQCLSA-N 1 0 353.513 2.183 20 30 FEEDRO C=CCOc1cccc(NC(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)c1 ZINC000165169831 546152246 /nfs/dbraw/zinc/15/22/46/546152246.db2.gz RIFYTJGGVDMZMB-SFHVURJKSA-N 1 0 372.469 2.022 20 30 FEEDRO C=CCc1cc(CNC(=O)C2(COC)CC[NH2+]CC2)cc(OC)c1OC ZINC000479150100 561182806 /nfs/dbraw/zinc/18/28/06/561182806.db2.gz LMBBYKYDNDZWHB-UHFFFAOYSA-N 1 0 362.470 2.065 20 30 FEEDRO [NH2+]=C(NCc1cccc(S(=O)(=O)N2CCCCC2)c1)Nc1ccccn1 ZINC000170914250 546182674 /nfs/dbraw/zinc/18/26/74/546182674.db2.gz ILJBOCODRKSJRX-UHFFFAOYSA-N 1 0 373.482 2.183 20 30 FEEDRO C[N@H+](CCN1CCN(C(=O)NCCCCC#N)CC1)Cc1ccccc1 ZINC000171689724 546219962 /nfs/dbraw/zinc/21/99/62/546219962.db2.gz DBZWLMNIHMDBHH-UHFFFAOYSA-N 1 0 357.502 2.139 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)CC1 ZINC000171740522 546223179 /nfs/dbraw/zinc/22/31/79/546223179.db2.gz HFKVXRSAIHSXDQ-UHFFFAOYSA-N 1 0 371.460 2.179 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N2CCN(c3cccc(F)c3C#N)CC2)CC1 ZINC000171737016 546223360 /nfs/dbraw/zinc/22/33/60/546223360.db2.gz RVWJUIWNKDWQNR-UHFFFAOYSA-N 1 0 371.460 2.179 20 30 FEEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)NCCC[NH+]1CCCC1 ZINC000171772873 546225070 /nfs/dbraw/zinc/22/50/70/546225070.db2.gz IRAPYJNSAKGPBO-OAHLLOKOSA-N 1 0 374.510 2.479 20 30 FEEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CCC([NH+](C)C)CC1 ZINC000171773622 546225209 /nfs/dbraw/zinc/22/52/09/546225209.db2.gz PUQUANGBOXOVFG-AWEZNQCLSA-N 1 0 374.510 2.429 20 30 FEEDRO CN(CCC#N)c1ccc(CN2CCN(CC[NH+]3CCCC3)CC2)cc1 ZINC000171922605 546231017 /nfs/dbraw/zinc/23/10/17/546231017.db2.gz TVWLYKDLYRXDPL-UHFFFAOYSA-N 1 0 355.530 2.250 20 30 FEEDRO Cc1cccc(N(CCC#N)C(=O)CN2CCC[C@@H](OCCO)C2)c1C ZINC000172293846 546244522 /nfs/dbraw/zinc/24/45/22/546244522.db2.gz GHKDEJSAFGNPBM-GOSISDBHSA-N 1 0 359.470 2.023 20 30 FEEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000172292553 546244869 /nfs/dbraw/zinc/24/48/69/546244869.db2.gz CRQHLQCWYWQUOE-HUUCEWRRSA-N 1 0 374.510 2.429 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H]2CCN(c3ccc(C)cc3)C2=O)CC1 ZINC000173196236 546275906 /nfs/dbraw/zinc/27/59/06/546275906.db2.gz VBTATXYMXHMRFD-GOSISDBHSA-N 1 0 356.470 2.050 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)[C@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000173255635 546276661 /nfs/dbraw/zinc/27/66/61/546276661.db2.gz SMJSDCPICMPPBV-SJORKVTESA-N 1 0 357.454 2.255 20 30 FEEDRO C#CCOc1ccc(F)cc1NC(=O)N1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000173799851 546286733 /nfs/dbraw/zinc/28/67/33/546286733.db2.gz UIXJEPMOMHWAJQ-KRWDZBQOSA-N 1 0 374.460 2.081 20 30 FEEDRO CN(CC(=O)N[C@@](C)(C#N)C1CC1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000174954644 546305269 /nfs/dbraw/zinc/30/52/69/546305269.db2.gz ISRPDHJCCUYNEM-CTNGQTDRSA-N 1 0 354.498 2.391 20 30 FEEDRO CCN(CCC#N)C(=O)C[NH+]1CCC(C(=O)NCc2ccc(C)cc2)CC1 ZINC000175322390 546308854 /nfs/dbraw/zinc/30/88/54/546308854.db2.gz LLUYZFOKZKMLCM-UHFFFAOYSA-N 1 0 370.497 2.085 20 30 FEEDRO C[N@H+](CCNC(=O)C(=O)Nc1ccc(F)cc1C#N)Cc1ccc(F)cc1 ZINC000176007266 546388725 /nfs/dbraw/zinc/38/87/25/546388725.db2.gz KXRQWASOHLOQOB-UHFFFAOYSA-N 1 0 372.375 2.023 20 30 FEEDRO CCc1cnc(CNC(N[C@@H]2CCc3nnc(C(C)C)n3C2)=[NH+]C)s1 ZINC000176013032 546390209 /nfs/dbraw/zinc/39/02/09/546390209.db2.gz IZXAENZZKLEZNT-GFCCVEGCSA-N 1 0 361.519 2.100 20 30 FEEDRO CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cccc(SCC#N)c3)C2)CC1 ZINC000176045514 546395559 /nfs/dbraw/zinc/39/55/59/546395559.db2.gz FRFXUCOXCNVLEP-QGZVFWFLSA-N 1 0 358.511 2.154 20 30 FEEDRO C[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccccc2C#Cc2ccccc2)C1 ZINC000176047581 546395774 /nfs/dbraw/zinc/39/57/74/546395774.db2.gz OWJONTALCGMGAC-SFHVURJKSA-N 1 0 361.445 2.093 20 30 FEEDRO Cc1ccc(OC(F)F)c(C[NH2+]CCNC(=O)C2N=CC=CC2=O)c1 ZINC000176244018 546424093 /nfs/dbraw/zinc/42/40/93/546424093.db2.gz OEOIWFNUPDPKLX-NXVVXOECSA-N 1 0 351.353 2.212 20 30 FEEDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(-n2ncc(C#N)c2N)cc1 ZINC000176311009 546429901 /nfs/dbraw/zinc/42/99/01/546429901.db2.gz ZHNRBPAKFITJDS-AEFFLSMTSA-N 1 0 364.453 2.025 20 30 FEEDRO C=CCc1ccccc1OC[C@@H](O)C[NH+]1CCC(O[C@H]2CCOC2)CC1 ZINC000480306671 561206842 /nfs/dbraw/zinc/20/68/42/561206842.db2.gz KSZMHZBIMMZXMN-ICSRJNTNSA-N 1 0 361.482 2.425 20 30 FEEDRO Cc1cc(NC(=O)N(CCC#N)CCC[NH+](C)C)n(-c2ccccn2)n1 ZINC000176324061 546432019 /nfs/dbraw/zinc/43/20/19/546432019.db2.gz KPMDYGMTIRTXKB-UHFFFAOYSA-N 1 0 355.446 2.275 20 30 FEEDRO N#CC1(F)CCN(C(=O)NCC2([NH+]3CCSCC3)CCCC2)CC1 ZINC000481117803 561225626 /nfs/dbraw/zinc/22/56/26/561225626.db2.gz OOTKDAWLYCEZIH-UHFFFAOYSA-N 1 0 354.495 2.385 20 30 FEEDRO C=CCOC[C@H](NC(=O)c1ccc(C[NH+]2CCCCC2)cc1)C(=O)OC ZINC000481779716 561241965 /nfs/dbraw/zinc/24/19/65/561241965.db2.gz NDIAPVNPXKJNAP-SFHVURJKSA-N 1 0 360.454 2.147 20 30 FEEDRO Cc1c(C#N)cccc1NC(=O)C(=O)NC[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000178901402 546871570 /nfs/dbraw/zinc/87/15/70/546871570.db2.gz FVRUISJGNACWHD-MRXNPFEDSA-N 1 0 356.470 2.289 20 30 FEEDRO O=C(C[NH2+]C1(CO)CCCC1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000179061065 546893868 /nfs/dbraw/zinc/89/38/68/546893868.db2.gz JHTSPYQGYQKQFQ-UHFFFAOYSA-N 1 0 354.372 2.068 20 30 FEEDRO C[C@](C#N)(NC(=O)C[NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1)C1CC1 ZINC000179744978 547006718 /nfs/dbraw/zinc/00/67/18/547006718.db2.gz ILKVFLDHSWJMRE-WOJBJXKFSA-N 1 0 355.438 2.307 20 30 FEEDRO C=CCOC[C@H](N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)C(=O)OC ZINC000482440150 561253904 /nfs/dbraw/zinc/25/39/04/561253904.db2.gz PYSAZGUZYINYDA-NMLBUPMWSA-N 1 0 358.482 2.231 20 30 FEEDRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)c2ccc(C3(C#N)CC3)cc2)CC1 ZINC000180351646 547089498 /nfs/dbraw/zinc/08/94/98/547089498.db2.gz DENQKCCURWFICV-HXUWFJFHSA-N 1 0 366.509 2.484 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)NC[C@H]2COC3(CCC(C)CC3)O2)CC1 ZINC000180690224 547159277 /nfs/dbraw/zinc/15/92/77/547159277.db2.gz YROZLDRUDVNAIC-RMXPPQQLSA-N 1 0 351.491 2.258 20 30 FEEDRO CC[C@H](CO)[NH+]1CCN(Cc2ccc(C#N)cc2Br)CC1 ZINC000181122852 547253389 /nfs/dbraw/zinc/25/33/89/547253389.db2.gz NXQYRLKIPWNPQF-OAHLLOKOSA-N 1 0 352.276 2.209 20 30 FEEDRO CS[C@@H]1CN(C(=O)c2ncc(C#N)cc2Cl)C[C@H]1[NH+]1CCCC1 ZINC000483390721 561275600 /nfs/dbraw/zinc/27/56/00/561275600.db2.gz CTYBZYGDWZQPKM-ZIAGYGMSSA-N 1 0 350.875 2.258 20 30 FEEDRO CC(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccccc2O[C@H](C)C#N)CC1 ZINC000181660937 547355275 /nfs/dbraw/zinc/35/52/75/547355275.db2.gz DGUSYEMTZUGCHC-OAHLLOKOSA-N 1 0 372.469 2.153 20 30 FEEDRO Cc1nc2cc(F)c(F)cc2n1CC(=O)Nc1nc2n(c1C#N)CCS2 ZINC000483481635 561277897 /nfs/dbraw/zinc/27/78/97/561277897.db2.gz IGJAODGTGPDUKZ-UHFFFAOYSA-N 1 0 374.376 2.436 20 30 FEEDRO C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000181742374 547371448 /nfs/dbraw/zinc/37/14/48/547371448.db2.gz UFHYEOBYVGYWFC-AWEZNQCLSA-N 1 0 372.469 2.295 20 30 FEEDRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+]CCOc2ccccc2C#N)c1 ZINC000181944359 547410543 /nfs/dbraw/zinc/41/05/43/547410543.db2.gz ZWLVJPIJJDXVOW-AWEZNQCLSA-N 1 0 359.451 2.196 20 30 FEEDRO C[C@H](C1CC1)[N@H+](C)CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000182620600 547523562 /nfs/dbraw/zinc/52/35/62/547523562.db2.gz DEEPZBNWZHCSCZ-BEFAXECRSA-N 1 0 358.461 2.265 20 30 FEEDRO N#Cc1ccccc1/C=C/C(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000183435399 547658626 /nfs/dbraw/zinc/65/86/26/547658626.db2.gz VETYOSKRKYMBPR-GLCJEOIMSA-N 1 0 361.445 2.454 20 30 FEEDRO C=CCN1CCC([NH2+][C@@H](C)CC(=O)Nc2cccc(C(=O)OC)c2)CC1 ZINC000183499814 547671598 /nfs/dbraw/zinc/67/15/98/547671598.db2.gz LDEZCIOKVNDNDC-HNNXBMFYSA-N 1 0 359.470 2.430 20 30 FEEDRO C=CC[N@@H+](CCOC)C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000484553662 561299968 /nfs/dbraw/zinc/29/99/68/561299968.db2.gz FAQOREYDHHBENS-AWEZNQCLSA-N 1 0 362.239 2.462 20 30 FEEDRO CC[C@@H]1CN(CC(=O)N(CCC#N)CCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000183755361 547713994 /nfs/dbraw/zinc/71/39/94/547713994.db2.gz FQYPPSDHXKUICJ-HXUWFJFHSA-N 1 0 367.497 2.239 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N(Cc2ccc(OC)cc2)[C@H](CO)C(C)C)CC1 ZINC000184135704 547775332 /nfs/dbraw/zinc/77/53/32/547775332.db2.gz NPZPIEKKZHBSEL-OAQYLSRUSA-N 1 0 372.509 2.386 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000184278409 547799446 /nfs/dbraw/zinc/79/94/46/547799446.db2.gz SABYLHAFRNCJBO-UHFFFAOYSA-N 1 0 367.409 2.253 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1ccn(-c2ccc(F)cc2F)n1 ZINC000184639933 547858933 /nfs/dbraw/zinc/85/89/33/547858933.db2.gz MUKVGOVJMOVZIX-UHFFFAOYSA-N 1 0 361.396 2.458 20 30 FEEDRO CC(C)[C@H]([NH2+]CCCOc1ccc(C#N)cc1)c1nc(-c2nc[nH]n2)no1 ZINC000184860160 547887969 /nfs/dbraw/zinc/88/79/69/547887969.db2.gz XQBQVZXSJHZDTD-HNNXBMFYSA-N 1 0 367.413 2.482 20 30 FEEDRO C=CCOc1cc(OC)ccc1C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000185202105 547950761 /nfs/dbraw/zinc/95/07/61/547950761.db2.gz ZKOBUAAZGUCRDA-MRXNPFEDSA-N 1 0 360.454 2.054 20 30 FEEDRO COc1cc(C#N)ccc1S(=O)(=O)NC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000185620496 548010098 /nfs/dbraw/zinc/01/00/98/548010098.db2.gz XAUFSHSIHYFZQX-OAHLLOKOSA-N 1 0 373.478 2.366 20 30 FEEDRO C=CCc1cc(C[NH2+][C@@H]2CCOC[C@H]2OCCOC)cc(OC)c1O ZINC000485724321 561326636 /nfs/dbraw/zinc/32/66/36/561326636.db2.gz JPLLNVOAWKBBBX-SJLPKXTDSA-N 1 0 351.443 2.039 20 30 FEEDRO C[C@@H](C#N)Oc1ccccc1NC(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000186755512 548185481 /nfs/dbraw/zinc/18/54/81/548185481.db2.gz BPUPESBBPWRYIB-GJZGRUSLSA-N 1 0 360.458 2.286 20 30 FEEDRO C=CCOc1ccc(C(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)cc1OC ZINC000186948878 548226449 /nfs/dbraw/zinc/22/64/49/548226449.db2.gz AMURBCVPAVLKEW-HNNXBMFYSA-N 1 0 362.470 2.177 20 30 FEEDRO CCOCCC[N@@H+]1CC[C@@H](N[C@H](C(=O)OC)c2cccc(C#N)c2)[C@H](C)C1 ZINC000187018284 548241872 /nfs/dbraw/zinc/24/18/72/548241872.db2.gz OFMKHPYOZUMOPA-AHRSYUTCSA-N 1 0 373.497 2.499 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ncc(CCC)s2)CC1 ZINC000190456007 548325714 /nfs/dbraw/zinc/32/57/14/548325714.db2.gz YLIFDSSLSXOLDG-UHFFFAOYSA-N 1 0 350.488 2.191 20 30 FEEDRO CN1C(=O)C[C@H]([NH2+]CC(=O)N[C@@](C)(C#N)C2CC2)[C@H]1c1ccc(Cl)cc1 ZINC000192150715 548359745 /nfs/dbraw/zinc/35/97/45/548359745.db2.gz FXATZRSYAXLBDV-IPELMVKDSA-N 1 0 374.872 2.010 20 30 FEEDRO C[C@@H](O)C[N@@H+]1CCN(CC#Cc2ccc(OC(F)(F)F)cc2)[C@H](C)C1 ZINC000192829777 548373819 /nfs/dbraw/zinc/37/38/19/548373819.db2.gz GUDHYZXJZMXRBQ-HUUCEWRRSA-N 1 0 356.388 2.324 20 30 FEEDRO CC(C)(C#N)c1ccc(NC(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)cc1 ZINC000193708161 548394797 /nfs/dbraw/zinc/39/47/97/548394797.db2.gz NUAZTFSTBQHYNI-UHFFFAOYSA-N 1 0 368.481 2.417 20 30 FEEDRO C=CCOc1ccccc1C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000194522877 548494402 /nfs/dbraw/zinc/49/44/02/548494402.db2.gz QZINLBXQZVOZGN-UHFFFAOYSA-N 1 0 366.465 2.328 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)c2cc(N3C[C@@H](C)O[C@H](C)C3)ccn2)CC1 ZINC000194608463 548504733 /nfs/dbraw/zinc/50/47/33/548504733.db2.gz KFCVCGSJGAQWHO-HZPDHXFCSA-N 1 0 358.486 2.075 20 30 FEEDRO CC[N@H+](C[C@@H](O)COc1ccc(C#N)cc1)C[C@@H]1COc2ccccc2O1 ZINC000228669216 548754309 /nfs/dbraw/zinc/75/43/09/548754309.db2.gz LKJZTZQOSHSQIQ-IEBWSBKVSA-N 1 0 368.433 2.460 20 30 FEEDRO CC(C)[C@@H]([NH3+])CCN(C)S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000236799840 548780528 /nfs/dbraw/zinc/78/05/28/548780528.db2.gz PBHFPRJFQKPSEY-AWEZNQCLSA-N 1 0 374.304 2.315 20 30 FEEDRO N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)cc1 ZINC000245728358 548983506 /nfs/dbraw/zinc/98/35/06/548983506.db2.gz JBPCNYVDLRBOIT-SJORKVTESA-N 1 0 367.453 2.173 20 30 FEEDRO C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000245829471 548999791 /nfs/dbraw/zinc/99/97/91/548999791.db2.gz RHXMEFYYTDITEG-CABCVRRESA-N 1 0 362.449 2.350 20 30 FEEDRO C[C@@H]1CC[N@H+](CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)[C@@H]1C ZINC000245848176 549002342 /nfs/dbraw/zinc/00/23/42/549002342.db2.gz LTOBDCYZXBJNGG-GPMSIDNRSA-N 1 0 358.461 2.265 20 30 FEEDRO C=CCN(C(=O)C[N@@H+](CC)C1CC1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000488212310 561386166 /nfs/dbraw/zinc/38/61/66/561386166.db2.gz BVULALUINSBGPF-OAHLLOKOSA-N 1 0 354.458 2.222 20 30 FEEDRO CCC[C@H]1CN([C@H](C)C(=O)NC2(C#N)CCCCC2)CC[N@@H+]1CCOC ZINC000246060858 549043592 /nfs/dbraw/zinc/04/35/92/549043592.db2.gz YIGIKQKEZNGZFB-MSOLQXFVSA-N 1 0 364.534 2.150 20 30 FEEDRO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+](C)C[C@@H](O)COCc1ccccc1 ZINC000246366997 549116725 /nfs/dbraw/zinc/11/67/25/549116725.db2.gz LQRNOFYXZSOBCE-PKOBYXMFSA-N 1 0 373.497 2.227 20 30 FEEDRO C[N@H+](CCNC(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1)C1CCCC1 ZINC000246721784 549196910 /nfs/dbraw/zinc/19/69/10/549196910.db2.gz NGKXPRDQECUMLP-FQEVSTJZSA-N 1 0 369.513 2.280 20 30 FEEDRO N#Cc1ccc(NC(=O)CC[N@@H+]2CCO[C@H]([C@H]3CCCO3)C2)cc1Cl ZINC000246786838 549211152 /nfs/dbraw/zinc/21/11/52/549211152.db2.gz CPSROHDCZKFKLR-SJORKVTESA-N 1 0 363.845 2.420 20 30 FEEDRO C=CCn1cccc1C(=O)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000489017533 561401699 /nfs/dbraw/zinc/40/16/99/561401699.db2.gz FSQRNOBVHFQIEG-MOPGFXCFSA-N 1 0 353.466 2.287 20 30 FEEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N2CCO[C@@H](C#N)C2)cc1 ZINC000247868143 549387053 /nfs/dbraw/zinc/38/70/53/549387053.db2.gz XCJSWJRUNMTNII-APWZRJJASA-N 1 0 356.470 2.495 20 30 FEEDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)Nc1ccn(CCC#N)n1 ZINC000248796541 549503816 /nfs/dbraw/zinc/50/38/16/549503816.db2.gz JFRITXXWOXUQRN-NVXWUHKLSA-N 1 0 352.442 2.439 20 30 FEEDRO Cn1c2cc(NC(=O)N(CCC#N)CCC[NH+](C)C)ccc2ccc1=O ZINC000489574295 561414502 /nfs/dbraw/zinc/41/45/02/561414502.db2.gz RPJVWYXUZSBELV-UHFFFAOYSA-N 1 0 355.442 2.238 20 30 FEEDRO N#Cc1c(F)cccc1C(=O)NC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000249881342 549633706 /nfs/dbraw/zinc/63/37/06/549633706.db2.gz HPPUGFDSSAMICZ-JKSUJKDBSA-N 1 0 353.397 2.063 20 30 FEEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)N[C@@H]3C[C@@H]4OCCC[C@@H]34)CC2)cc1 ZINC000251614115 549648260 /nfs/dbraw/zinc/64/82/60/549648260.db2.gz GGZXPKIURPFRCO-ZCNNSNEGSA-N 1 0 368.481 2.343 20 30 FEEDRO C[NH+]=C(NCc1cc(-c2ccccc2)no1)N1CCC[C@@H](CC(N)=O)C1 ZINC000261652948 549738907 /nfs/dbraw/zinc/73/89/07/549738907.db2.gz ADJKLYCFCLKREC-AWEZNQCLSA-N 1 0 355.442 2.004 20 30 FEEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N(CC[NH3+])CCc1ccccc1 ZINC000261814154 549757773 /nfs/dbraw/zinc/75/77/73/549757773.db2.gz XDTFJCVPJKGRAJ-UHFFFAOYSA-N 1 0 366.465 2.238 20 30 FEEDRO CCc1nn(C)c(CC)c1CNC(=[NH+]C)N1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000261995305 549778241 /nfs/dbraw/zinc/77/82/41/549778241.db2.gz SFVAGTFEMFHHRU-KXBFYZLASA-N 1 0 371.533 2.400 20 30 FEEDRO C[C@@H](NC(NCC(=O)N(C)C)=[NH+][C@@H]1CCOC2(CCC2)C1)c1ccccc1 ZINC000262312139 549809180 /nfs/dbraw/zinc/80/91/80/549809180.db2.gz PXNFQNDJWXYNER-SJLPKXTDSA-N 1 0 372.513 2.473 20 30 FEEDRO [NH2+]=C(NCC(=O)N1CCCc2ccccc21)N[C@@H]1CCOc2ccccc21 ZINC000262339129 549812456 /nfs/dbraw/zinc/81/24/56/549812456.db2.gz AASNRIQIFAKJBD-QGZVFWFLSA-N 1 0 364.449 2.394 20 30 FEEDRO C[NH+]=C(NCC1(SC)CCOCC1)N(C)Cc1ccc2c(c1)OCO2 ZINC000262430253 549819330 /nfs/dbraw/zinc/81/93/30/549819330.db2.gz SJRHVHDQTMMKAR-UHFFFAOYSA-N 1 0 365.499 2.335 20 30 FEEDRO [NH2+]=C(NCC(=O)N1CCc2ccccc21)N[C@H]1CCOc2ccccc21 ZINC000262547649 549827491 /nfs/dbraw/zinc/82/74/91/549827491.db2.gz SLWFGJAGAOQLCL-INIZCTEOSA-N 1 0 350.422 2.004 20 30 FEEDRO N#Cc1ccc(NC(=O)C(=O)N2CCC(C[NH+]3CCCC3)CC2)c(Cl)c1 ZINC000490384232 561432127 /nfs/dbraw/zinc/43/21/27/561432127.db2.gz YSPKZXWQUDAPRH-UHFFFAOYSA-N 1 0 374.872 2.485 20 30 FEEDRO [NH2+]=C(NCCn1cc(Br)cn1)N[C@@H]1CCOc2ccccc21 ZINC000262668400 549836864 /nfs/dbraw/zinc/83/68/64/549836864.db2.gz PVINBMRPOOADAH-CYBMUJFWSA-N 1 0 364.247 2.074 20 30 FEEDRO Cc1cc(S(N)(=O)=O)ccc1CNC(=[NH2+])Nc1cccc2c1CCCC2 ZINC000262788296 549849718 /nfs/dbraw/zinc/84/97/18/549849718.db2.gz NGYSTPZNWCXLAI-UHFFFAOYSA-N 1 0 372.494 2.448 20 30 FEEDRO [NH2+]=C(N[C@@H]1C[C@H]1c1ccc(Cl)cc1)N1CCN(c2ncccn2)CC1 ZINC000262795113 549850563 /nfs/dbraw/zinc/85/05/63/549850563.db2.gz LPGBUHHLTRPASM-JKSUJKDBSA-N 1 0 356.861 2.123 20 30 FEEDRO [NH2+]=C(NC[C@@H]1COc2ccccc2O1)Nc1ccc2c(c1)OCCCO2 ZINC000263249533 549889070 /nfs/dbraw/zinc/88/90/70/549889070.db2.gz OHYCXRDWDKFXPW-CQSZACIVSA-N 1 0 355.394 2.415 20 30 FEEDRO CC[NH+]=C(NCc1csc(Br)c1)N1CCN(C(C)=O)CC1 ZINC000263276416 549891462 /nfs/dbraw/zinc/89/14/62/549891462.db2.gz YMGAZNUWBNWOCR-UHFFFAOYSA-N 1 0 373.320 2.140 20 30 FEEDRO C=CCN(Cc1ccccc1)C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000263642501 549911778 /nfs/dbraw/zinc/91/17/78/549911778.db2.gz ADZYLMDLOXLFQC-IBGZPJMESA-N 1 0 372.513 2.327 20 30 FEEDRO CC(C)C(=O)NC[C@H]1CCC[N@H+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000263660540 549914722 /nfs/dbraw/zinc/91/47/22/549914722.db2.gz AUCWZFXJIMDDQU-QGZVFWFLSA-N 1 0 356.470 2.371 20 30 FEEDRO CC[C@H](C)[N@H+](C)CCNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000263894674 549952015 /nfs/dbraw/zinc/95/20/15/549952015.db2.gz VEVZZEFEFOXJNT-KRWDZBQOSA-N 1 0 359.518 2.362 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N(CC(=O)Nc2ccc(F)cc2)C(C)C)CC1 ZINC000264021326 549968966 /nfs/dbraw/zinc/96/89/66/549968966.db2.gz HWYUUVNUERJTTH-UHFFFAOYSA-N 1 0 359.445 2.346 20 30 FEEDRO CC(C)NS(=O)(=O)Cc1ccccc1CNC(=[NH2+])N1CCC(C)CC1 ZINC000264058043 549973919 /nfs/dbraw/zinc/97/39/19/549973919.db2.gz BUAPXGYGMDCLAM-UHFFFAOYSA-N 1 0 366.531 2.061 20 30 FEEDRO CCc1cccc(NC(=[NH2+])NC[C@H](O)COc2ccc3c(c2)OCO3)c1 ZINC000264088712 549978072 /nfs/dbraw/zinc/97/80/72/549978072.db2.gz KFLTYQSMXNUSCY-HNNXBMFYSA-N 1 0 357.410 2.144 20 30 FEEDRO C=CCc1ccc(OC[C@H](O)C[N@H+](C)CCc2noc(C)n2)c(OC)c1 ZINC000264229991 549993363 /nfs/dbraw/zinc/99/33/63/549993363.db2.gz RIGNLLPFIBUDKK-MRXNPFEDSA-N 1 0 361.442 2.029 20 30 FEEDRO COc1cccc(CNC(=[NH2+])NCCc2ccc(OC)c(OC)c2)c1O ZINC000264264206 549993372 /nfs/dbraw/zinc/99/33/72/549993372.db2.gz JZNGGSNZDMVUMO-UHFFFAOYSA-N 1 0 359.426 2.065 20 30 FEEDRO [NH2+]=C(NC[C@@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1)NC1CC1 ZINC000264302398 549993747 /nfs/dbraw/zinc/99/37/47/549993747.db2.gz SDJKFYBSAGCBJK-HNNXBMFYSA-N 1 0 356.392 2.145 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccccc2SCC(N)=O)CC1 ZINC000264399013 549995078 /nfs/dbraw/zinc/99/50/78/549995078.db2.gz OQLDYSGUJDBXNG-UHFFFAOYSA-N 1 0 362.499 2.426 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)[C@@H]2CC(=O)N(Cc3ccc(C)cc3)C2)CC1 ZINC000264492317 549996494 /nfs/dbraw/zinc/99/64/94/549996494.db2.gz OFKAVOHDFRBCED-GOSISDBHSA-N 1 0 355.482 2.110 20 30 FEEDRO C=CCOc1ccc(/C=C/C(=O)N[C@H]2CC[N@@H+](CCOC)C2)cc1OC ZINC000264562812 549997697 /nfs/dbraw/zinc/99/76/97/549997697.db2.gz RCVPARGBJIHIFF-JKNJVXJCSA-N 1 0 360.454 2.110 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)NCc2nc(-c3cccc(Cl)c3)no2)CC1 ZINC000265317751 550008750 /nfs/dbraw/zinc/00/87/50/550008750.db2.gz PYFKMHDLKSJVGU-UHFFFAOYSA-N 1 0 358.829 2.351 20 30 FEEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)NCC[N@H+](C)C1CC1 ZINC000265395309 550009272 /nfs/dbraw/zinc/00/92/72/550009272.db2.gz QFONYDMAJPFMNI-CYBMUJFWSA-N 1 0 360.483 2.087 20 30 FEEDRO C[C@@H]1SCCN(CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)[C@H]1C ZINC000265534073 550011660 /nfs/dbraw/zinc/01/16/60/550011660.db2.gz QCNUYYNWKFWHJJ-SGMGOOAPSA-N 1 0 356.451 2.337 20 30 FEEDRO C[NH+](C)CCOc1ccccc1N1CCN(C(=O)NCCCCC#N)CC1 ZINC000265719327 550013772 /nfs/dbraw/zinc/01/37/72/550013772.db2.gz ZXTHTHRBBCPPGU-UHFFFAOYSA-N 1 0 373.501 2.152 20 30 FEEDRO COCCOCc1cc(C(=O)N(CCC#N)CCC[NH+](C)C)ccc1F ZINC000266079084 550016545 /nfs/dbraw/zinc/01/65/45/550016545.db2.gz NMFZMMWVOIUCQD-UHFFFAOYSA-N 1 0 365.449 2.296 20 30 FEEDRO N#CCN1CCC[C@@H](CNC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000266109432 550017194 /nfs/dbraw/zinc/01/71/94/550017194.db2.gz SJYNKENUHZJHJX-PMACEKPBSA-N 1 0 354.498 2.250 20 30 FEEDRO COc1ccc(C[NH2+]CC2(CS(C)(=O)=O)CC2)cc1OCCCC#N ZINC000267102271 550027592 /nfs/dbraw/zinc/02/75/92/550027592.db2.gz PGLIRWRBQILQTF-UHFFFAOYSA-N 1 0 366.483 2.292 20 30 FEEDRO COCC[N@@H+]1CC[C@@H](NC(=O)NCC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000267655873 550034328 /nfs/dbraw/zinc/03/43/28/550034328.db2.gz COUJHGGHOSWYAJ-MRXNPFEDSA-N 1 0 369.387 2.077 20 30 FEEDRO COc1ccc(CNC(=[NH2+])NCCOc2ncccc2Cl)cc1OC ZINC000268388634 550057935 /nfs/dbraw/zinc/05/79/35/550057935.db2.gz FNVZGUJAOBESNU-UHFFFAOYSA-N 1 0 364.833 2.236 20 30 FEEDRO COc1ccc(C#N)cc1NC(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000269100056 550154847 /nfs/dbraw/zinc/15/48/47/550154847.db2.gz FUFNXXLTFHZQCM-ROUUACIJSA-N 1 0 372.469 2.456 20 30 FEEDRO N#Cc1ccc(NC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(F)c1 ZINC000269611843 550210398 /nfs/dbraw/zinc/21/03/98/550210398.db2.gz YQOLJEHFMZWQPD-KBXCAEBGSA-N 1 0 370.428 2.111 20 30 FEEDRO CC(C)[NH+]1CCC(N2CCN(CCOc3cccc(C#N)c3)CC2)CC1 ZINC000269656444 550214143 /nfs/dbraw/zinc/21/41/43/550214143.db2.gz NIMKNMQZPGXPOC-UHFFFAOYSA-N 1 0 356.514 2.427 20 30 FEEDRO C=CCOc1ccc(C[N@H+](C)C[C@@H](O)COCCOC(C)C)cc1OC ZINC000271131079 550343590 /nfs/dbraw/zinc/34/35/90/550343590.db2.gz KBVMRIXCMHYZNJ-GOSISDBHSA-N 1 0 367.486 2.494 20 30 FEEDRO CN(CCC#N)C(=O)CC[N@H+](CCO)Cc1cc(Br)cs1 ZINC000494253308 561465711 /nfs/dbraw/zinc/46/57/11/561465711.db2.gz GVYZXNGTUOKKFE-UHFFFAOYSA-N 1 0 374.304 2.067 20 30 FEEDRO COc1cc(C)c([C@H](C)[NH2+]CC(=O)N(CCC#N)CCC#N)cc1OC ZINC000271820465 550404522 /nfs/dbraw/zinc/40/45/22/550404522.db2.gz VRGRDZGVRNLAFF-HNNXBMFYSA-N 1 0 358.442 2.319 20 30 FEEDRO C=C(C)[C@H]1OCC[C@H]1C(=O)NCCC[N@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000494315976 561466969 /nfs/dbraw/zinc/46/69/69/561466969.db2.gz SVWNBJSNQLGNKG-NJDAHSKKSA-N 1 0 371.525 2.463 20 30 FEEDRO C=CCN(CCc1ccco1)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000272418556 550446080 /nfs/dbraw/zinc/44/60/80/550446080.db2.gz BBUFJIPLUYLLNM-OALUTQOASA-N 1 0 361.486 2.398 20 30 FEEDRO C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000272447804 550449112 /nfs/dbraw/zinc/44/91/12/550449112.db2.gz BABZMDVOPQPZAN-OAHLLOKOSA-N 1 0 372.469 2.297 20 30 FEEDRO CC1(C#N)CCN(C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000272456809 550449809 /nfs/dbraw/zinc/44/98/09/550449809.db2.gz UJONBAGLJMLXHM-UHFFFAOYSA-N 1 0 369.513 2.139 20 30 FEEDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)CCC(=O)N(CCC#N)c3ccccc3)[C@@H]2C1 ZINC000272455891 550449822 /nfs/dbraw/zinc/44/98/22/550449822.db2.gz JYMAXLAEAXAMSJ-IEBWSBKVSA-N 1 0 368.481 2.266 20 30 FEEDRO C=CCN(CC=C)C(=O)C[N@H+]1CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000272594669 550459829 /nfs/dbraw/zinc/45/98/29/550459829.db2.gz XRHVOKUKSFLCKA-CVEARBPZSA-N 1 0 351.491 2.422 20 30 FEEDRO C[C@@H](NC(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1)C1=CC[N@H+](C)CC1 ZINC000272958265 550478435 /nfs/dbraw/zinc/47/84/35/550478435.db2.gz NGWHLHRQGUPDSU-YLJYHZDGSA-N 1 0 367.497 2.056 20 30 FEEDRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(c2cc(C#N)ccc2[N+](=O)[O-])CC1 ZINC000274278248 550530990 /nfs/dbraw/zinc/53/09/90/550530990.db2.gz ULQDGQGZUXYBPC-IYBDPMFKSA-N 1 0 357.458 2.461 20 30 FEEDRO CCO[C@H]1C[C@H](NC(=[NH2+])Nc2ccc(OC)c(OC)c2)C12CCOCC2 ZINC000274402762 550536022 /nfs/dbraw/zinc/53/60/22/550536022.db2.gz DYFSGVMYXSFJFD-IRXDYDNUSA-N 1 0 363.458 2.405 20 30 FEEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)N(C)CC[N@H+](C)C1CC1 ZINC000274451277 550538333 /nfs/dbraw/zinc/53/83/33/550538333.db2.gz FGRYTNABDJNKGA-INIZCTEOSA-N 1 0 358.486 2.356 20 30 FEEDRO CCN(C[C@H](C)C#N)C(=O)CN[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000274796776 550555042 /nfs/dbraw/zinc/55/50/42/550555042.db2.gz DKPZWCWDUYHVKD-QWFCFKBJSA-N 1 0 356.514 2.495 20 30 FEEDRO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCC(c2nnc3n2CCCC3)CC1 ZINC000274953003 550567197 /nfs/dbraw/zinc/56/71/97/550567197.db2.gz HJGNLUSDRXVNBB-MRXNPFEDSA-N 1 0 357.502 2.383 20 30 FEEDRO C#Cc1cccc(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000275587520 550573210 /nfs/dbraw/zinc/57/32/10/550573210.db2.gz DBBYOHOKTNBTFF-HXUWFJFHSA-N 1 0 361.445 2.339 20 30 FEEDRO CCCOc1cc(C)ccc1NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C ZINC000275914226 550575193 /nfs/dbraw/zinc/57/51/93/550575193.db2.gz SXBOJEHBPAPWLG-UHFFFAOYSA-N 1 0 374.485 2.416 20 30 FEEDRO C[C@@H](NC(=O)C(=O)Nc1cccc(OCCCC#N)c1)C1=CC[N@H+](C)CC1 ZINC000276158501 550577383 /nfs/dbraw/zinc/57/73/83/550577383.db2.gz ROGLNSFJRAYNJQ-OAHLLOKOSA-N 1 0 370.453 2.074 20 30 FEEDRO Cc1noc(C[C@@H]([NH2+]CC(=O)N[C@@](C)(C#N)C2CC2)c2ccccc2)n1 ZINC000277054467 550626434 /nfs/dbraw/zinc/62/64/34/550626434.db2.gz CQNXUHFWPOYVCK-APWZRJJASA-N 1 0 353.426 2.060 20 30 FEEDRO Cc1noc(C[C@H]([NH2+]CC(=O)N[C@@](C)(C#N)C2CC2)c2ccccc2)n1 ZINC000277054474 550626440 /nfs/dbraw/zinc/62/64/40/550626440.db2.gz CQNXUHFWPOYVCK-LPHOPBHVSA-N 1 0 353.426 2.060 20 30 FEEDRO C[NH+](C)CCOc1ccccc1N1CCN(C(=O)CC(C)(C)C#N)CC1 ZINC000278350147 550775858 /nfs/dbraw/zinc/77/58/58/550775858.db2.gz MZMWUIUFZPGXNH-UHFFFAOYSA-N 1 0 358.486 2.215 20 30 FEEDRO N#Cc1ccc(CN2CCCN(C(=O)C34CCC[NH+]3CCC4)CC2)cc1 ZINC000278606591 550803606 /nfs/dbraw/zinc/80/36/06/550803606.db2.gz LNWJPTZRNYOYKU-UHFFFAOYSA-N 1 0 352.482 2.221 20 30 FEEDRO C#CCC(CC#C)C(=O)NCCC[N@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000278770313 550820149 /nfs/dbraw/zinc/82/01/49/550820149.db2.gz WYRQUJWKRWFTBH-OAQYLSRUSA-N 1 0 351.494 2.144 20 30 FEEDRO C[C@H]1CN(CC(=O)N(CCC#N)c2ccccc2)CC2(CCOCC2)O1 ZINC000279140297 550858123 /nfs/dbraw/zinc/85/81/23/550858123.db2.gz YAYMVXPOFGXJDQ-KRWDZBQOSA-N 1 0 357.454 2.203 20 30 FEEDRO C#CCn1ccc(CN(CC)C(=O)N[C@@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)n1 ZINC000279422961 550888757 /nfs/dbraw/zinc/88/87/57/550888757.db2.gz ISJQLLGPMMOJTB-KSZLIROESA-N 1 0 359.518 2.414 20 30 FEEDRO C[C@@H]1CN([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC2(CCOCC2)O1 ZINC000279695164 550917776 /nfs/dbraw/zinc/91/77/76/550917776.db2.gz GKUKUDWACFYTGD-VQIMIIECSA-N 1 0 369.465 2.324 20 30 FEEDRO COc1cc(C#N)ccc1C[N@H+](C)C[C@@H]1C[C@H](F)CN1Cc1ccnn1C ZINC000279729725 550922344 /nfs/dbraw/zinc/92/23/44/550922344.db2.gz NLEKKZGUXQAQPW-HKUYNNGSSA-N 1 0 371.460 2.345 20 30 FEEDRO C=CCNC(=O)c1ccc(N2CC[NH+](CCc3cccs3)CC2)nc1 ZINC000495466136 561488705 /nfs/dbraw/zinc/48/87/05/561488705.db2.gz WSXKVIVMSRWVKM-UHFFFAOYSA-N 1 0 356.495 2.424 20 30 FEEDRO CCOC(=O)CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)c1cc(C#N)oc1C ZINC000280753144 551028615 /nfs/dbraw/zinc/02/86/15/551028615.db2.gz MOAXMKLPHOPSQZ-HNNXBMFYSA-N 1 0 361.442 2.339 20 30 FEEDRO N#Cc1c(C#N)c(N2CCC([NH2+]CCO)CC2)nc2c1CCCCCC2 ZINC000280828472 551036749 /nfs/dbraw/zinc/03/67/49/551036749.db2.gz YXOZNRQZXLGTHM-UHFFFAOYSA-N 1 0 353.470 2.035 20 30 FEEDRO Cc1oc(C#N)cc1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000281012783 551055032 /nfs/dbraw/zinc/05/50/32/551055032.db2.gz HKXPFKYUGIEORK-QFBILLFUSA-N 1 0 353.422 2.073 20 30 FEEDRO C[N@@H+]1CCN(CCNC(=O)N(Cc2ccc(C#N)cc2)C2CC2)CC1(C)C ZINC000281960120 551162979 /nfs/dbraw/zinc/16/29/79/551162979.db2.gz MVPYQNBPWDREKB-UHFFFAOYSA-N 1 0 369.513 2.258 20 30 FEEDRO CC(C)(C)C(=O)NC[C@@H]1CCCN(CC(=O)NCc2cccc(C#N)c2)C1 ZINC000497366631 561499466 /nfs/dbraw/zinc/49/94/66/561499466.db2.gz MEAZCIIFKWRRKN-SFHVURJKSA-N 1 0 370.497 2.049 20 30 FEEDRO CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+](CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000497370081 561499511 /nfs/dbraw/zinc/49/95/11/561499511.db2.gz MTHFKEHGLULSAB-VQIMIIECSA-N 1 0 370.497 2.191 20 30 FEEDRO C=CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[NH+](C2CC2)CC1 ZINC000282420610 551226557 /nfs/dbraw/zinc/22/65/57/551226557.db2.gz XYHGTAWITGSXLU-UHFFFAOYSA-N 1 0 354.414 2.324 20 30 FEEDRO Cc1ccc([C@@H](CNS(=O)(=O)N(C)C[C@H](C)C#N)[NH+]2CCCC2)cc1 ZINC000282639054 551254837 /nfs/dbraw/zinc/25/48/37/551254837.db2.gz LEOQNSQLMXDMGZ-SJLPKXTDSA-N 1 0 364.515 2.058 20 30 FEEDRO COc1nnc(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)s1 ZINC000282931180 551286674 /nfs/dbraw/zinc/28/66/74/551286674.db2.gz WPCIFNFTOMBHLA-UHFFFAOYSA-N 1 0 360.443 2.014 20 30 FEEDRO C=CCN(CCc1ccccc1)C(=O)C(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000283947709 551455461 /nfs/dbraw/zinc/45/54/61/551455461.db2.gz RDLOAFRRIXCLKZ-GOSISDBHSA-N 1 0 357.498 2.092 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N(C)[C@@H](C)c1cccnc1)C(C)C ZINC000284062448 551477126 /nfs/dbraw/zinc/47/71/26/551477126.db2.gz NLKUCCUFEAULST-HKUYNNGSSA-N 1 0 372.513 2.416 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N(CC)Cc1ccncc1)C(C)C ZINC000284080073 551480096 /nfs/dbraw/zinc/48/00/96/551480096.db2.gz OIKHLTLCUOOWTI-LJQANCHMSA-N 1 0 372.513 2.245 20 30 FEEDRO C=C(C)CNC(=S)C(C(=O)c1cnn(C)n1)[n+]1ccc(CCC)cc1 ZINC000284404279 551541985 /nfs/dbraw/zinc/54/19/85/551541985.db2.gz NERKDWMKOOURGI-UHFFFAOYSA-O 1 0 358.491 2.160 20 30 FEEDRO C=CCCCN(C)C(=O)C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000284619841 551592039 /nfs/dbraw/zinc/59/20/39/551592039.db2.gz XYRLYKGKJZVGRY-UHFFFAOYSA-N 1 0 357.498 2.234 20 30 FEEDRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+][C@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000498489226 561525686 /nfs/dbraw/zinc/52/56/86/561525686.db2.gz WUQCJGAEZFPKGI-BHIYHBOVSA-N 1 0 370.497 2.443 20 30 FEEDRO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@@H]1[C@@H]1COCC[C@]1(C)O ZINC000284827193 551644433 /nfs/dbraw/zinc/64/44/33/551644433.db2.gz OQTNBZVSGNXJPH-CAUGKJMWSA-N 1 0 357.454 2.137 20 30 FEEDRO CN(C(=O)C1CCN(c2ccc(C#N)cc2F)CC1)C1CC[NH+](C)CC1 ZINC000285113310 551706511 /nfs/dbraw/zinc/70/65/11/551706511.db2.gz MTKOXHAEBJSPTL-UHFFFAOYSA-N 1 0 358.461 2.466 20 30 FEEDRO C=CCc1ccc(OC[C@H](O)C[NH2+][C@H](c2nncn2C)C(C)C)c(OC)c1 ZINC000285305495 551735101 /nfs/dbraw/zinc/73/51/01/551735101.db2.gz HRAGZPVCTSMUPA-APWZRJJASA-N 1 0 374.485 2.279 20 30 FEEDRO N#CCCn1cc(C[NH2+]CCC2(O)CCOCC2)c(-c2ccccc2)n1 ZINC000285400324 551750119 /nfs/dbraw/zinc/75/01/19/551750119.db2.gz FBNVHSHZPVDVHW-UHFFFAOYSA-N 1 0 354.454 2.485 20 30 FEEDRO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@](O)(C(F)(F)F)CC2)cc1 ZINC000285576419 551777350 /nfs/dbraw/zinc/77/73/50/551777350.db2.gz OCIPZLCIQLUAGH-GDBMZVCRSA-N 1 0 358.360 2.077 20 30 FEEDRO CC[C@H]([NH2+]CC(=O)N(CCC#N)CCC#N)c1ccc(OC)c(OC)c1 ZINC000285602321 551781175 /nfs/dbraw/zinc/78/11/75/551781175.db2.gz YGTWSBIHJPVDPL-INIZCTEOSA-N 1 0 358.442 2.400 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H](C)c2cccc(OCC)c2)CC1 ZINC000285619224 551784060 /nfs/dbraw/zinc/78/40/60/551784060.db2.gz ULGIPJSCTRMPOC-OAHLLOKOSA-N 1 0 359.470 2.029 20 30 FEEDRO C=CCCCN(C)C(=O)C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000285833215 551816722 /nfs/dbraw/zinc/81/67/22/551816722.db2.gz OOFMVCUVHYWSRW-IBGZPJMESA-N 1 0 357.498 2.092 20 30 FEEDRO N#Cc1ccccc1NC(=O)CC[N@@H+]1CC[C@@H](C(F)(F)F)[C@H](CO)C1 ZINC000286294248 551870825 /nfs/dbraw/zinc/87/08/25/551870825.db2.gz CEHZIFIRUSXSQQ-UONOGXRCSA-N 1 0 355.360 2.380 20 30 FEEDRO Cc1c(Cl)cnc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)c1C#N ZINC000286341394 551876396 /nfs/dbraw/zinc/87/63/96/551876396.db2.gz KWMDHDMNMQLVQS-AGUYFDCRSA-N 1 0 361.877 2.411 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)CC1 ZINC000286572928 551901395 /nfs/dbraw/zinc/90/13/95/551901395.db2.gz GGZDGCAASUUWRT-UHFFFAOYSA-N 1 0 369.440 2.412 20 30 FEEDRO CCN(CCC#N)C(=O)C[NH2+][C@@](C)(CO)c1ccc(Br)cc1 ZINC000286589864 551903122 /nfs/dbraw/zinc/90/31/22/551903122.db2.gz QQKDSWQUFVNJAQ-INIZCTEOSA-N 1 0 368.275 2.008 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N2C[C@H](c3ccccc3C)C[C@@H]2C)CC1 ZINC000286754246 551922570 /nfs/dbraw/zinc/92/25/70/551922570.db2.gz SVPYGRURMCVSCQ-ZWKOTPCHSA-N 1 0 369.509 2.466 20 30 FEEDRO COc1cc(C#N)ccc1OCC[N@@H+]1CC[C@H](C(F)(F)F)[C@@H](CO)C1 ZINC000286763692 551923646 /nfs/dbraw/zinc/92/36/46/551923646.db2.gz ZLSMNACPJAEINK-KGLIPLIRSA-N 1 0 358.360 2.438 20 30 FEEDRO C=C(C)CN(CC)C(=O)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000286927676 551941329 /nfs/dbraw/zinc/94/13/29/551941329.db2.gz ZRHCAZCYUHZZLE-UHFFFAOYSA-N 1 0 357.498 2.439 20 30 FEEDRO Cc1ccc(NC(=O)c2cc(C#N)ccn2)cc1NC(=O)CC[NH+](C)C ZINC000287690272 552034702 /nfs/dbraw/zinc/03/47/02/552034702.db2.gz CLDVODKTXNLVKZ-UHFFFAOYSA-N 1 0 351.410 2.404 20 30 FEEDRO C=CCN1CC[C@@H]([NH2+]C(C)(C)COc2ncccc2Br)C1=O ZINC000499600034 561554415 /nfs/dbraw/zinc/55/44/15/561554415.db2.gz MUHNLDMYYTUUSW-CYBMUJFWSA-N 1 0 368.275 2.378 20 30 FEEDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NS(=O)(=O)c1ccc(C#N)o1 ZINC000288191059 552107280 /nfs/dbraw/zinc/10/72/80/552107280.db2.gz PRFFMWYTULJOCR-YOEHRIQHSA-N 1 0 359.451 2.340 20 30 FEEDRO C=CCN1CC[C@H]([N@H+](C)C[C@H](O)COc2ccc(Cl)cc2Cl)C1=O ZINC000499943055 561562428 /nfs/dbraw/zinc/56/24/28/561562428.db2.gz ZUKCPYJUJQAWMP-ZFWWWQNUSA-N 1 0 373.280 2.452 20 30 FEEDRO C=CCN1CC[C@@H]([N@H+](C)C[C@@H](O)COc2ccc(Cl)cc2Cl)C1=O ZINC000499943054 561562489 /nfs/dbraw/zinc/56/24/89/561562489.db2.gz ZUKCPYJUJQAWMP-UKRRQHHQSA-N 1 0 373.280 2.452 20 30 FEEDRO C=CCN1CC[C@H]([N@@H+](C)C[C@@H](O)COc2ccc(/C=C\C)cc2OC)C1=O ZINC000500019134 561564132 /nfs/dbraw/zinc/56/41/32/561564132.db2.gz MVVXAKUXOOAGBL-CORAPOBDSA-N 1 0 374.481 2.187 20 30 FEEDRO N#CCCn1cc(CN2CCO[C@]3(CCCOC3)C2)c(-c2ccncc2)n1 ZINC000289074772 552262332 /nfs/dbraw/zinc/26/23/32/552262332.db2.gz ANKAQYPZIRXKEZ-HXUWFJFHSA-N 1 0 367.453 2.240 20 30 FEEDRO C=CCN(C)C(=O)C(=O)NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000289102837 552266665 /nfs/dbraw/zinc/26/66/65/552266665.db2.gz VKYJONRBXVRDKJ-CQSZACIVSA-N 1 0 357.376 2.069 20 30 FEEDRO C[C@H](NS(=O)(=O)c1cncc(C#N)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000289462186 552325246 /nfs/dbraw/zinc/32/52/46/552325246.db2.gz MDDMAVSRTSLTHZ-YJBOKZPZSA-N 1 0 370.478 2.142 20 30 FEEDRO C#CCOc1ccccc1C[NH2+]C[C@@H](CO)Cc1ccc(OC)c(O)c1 ZINC000289469054 552326889 /nfs/dbraw/zinc/32/68/89/552326889.db2.gz PGXHDOKZXMRAIH-KRWDZBQOSA-N 1 0 355.434 2.354 20 30 FEEDRO C=CCn1c(Cn2nc(C)cc2C)nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000289724499 552368348 /nfs/dbraw/zinc/36/83/48/552368348.db2.gz PQLFHMWZOCPYAR-YJBOKZPZSA-N 1 0 371.533 2.492 20 30 FEEDRO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC[C@@H](N2CCOCC2)[C@H]1C ZINC000289941626 552402991 /nfs/dbraw/zinc/40/29/91/552402991.db2.gz VKOQOFSSBLVOSP-QWFCFKBJSA-N 1 0 370.497 2.117 20 30 FEEDRO C[C@](C#N)(NC(=O)C[NH2+][C@@H]1c2ccccc2CC12CCOCC2)C1CC1 ZINC000290051073 552420110 /nfs/dbraw/zinc/42/01/10/552420110.db2.gz DLEIFKUGQIVJLX-WOJBJXKFSA-N 1 0 353.466 2.479 20 30 FEEDRO CN(C)CC[N@H+](C)CCCN(C)C(=O)C(C)(C)c1cc(F)cc(C#N)c1 ZINC000290056310 552421308 /nfs/dbraw/zinc/42/13/08/552421308.db2.gz IJQSQAQPEYTHGE-UHFFFAOYSA-N 1 0 362.493 2.317 20 30 FEEDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)Cc2cc(C#N)ccc2F)C[C@H]1C ZINC000500934569 561586037 /nfs/dbraw/zinc/58/60/37/561586037.db2.gz JKSAUIKOKHFJDL-CJNGLKHVSA-N 1 0 353.463 2.332 20 30 FEEDRO C[C@H](NC(=[NH2+])NCCCn1cc(CO)nn1)c1ccc(Cl)cc1Cl ZINC000290759001 552533055 /nfs/dbraw/zinc/53/30/55/552533055.db2.gz ZCXPKEIKQBQLOS-JTQLQIEISA-N 1 0 371.272 2.133 20 30 FEEDRO N#Cc1ccc(NC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1F ZINC000290764526 552533931 /nfs/dbraw/zinc/53/39/31/552533931.db2.gz KMLMKPUREOUEJU-RDTXWAMCSA-N 1 0 370.428 2.111 20 30 FEEDRO C[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc(C#N)c(F)c2)[C@@H]1c1ccccc1 ZINC000290895127 552557566 /nfs/dbraw/zinc/55/75/66/552557566.db2.gz VGDIMYYGGTXZHV-ROUUACIJSA-N 1 0 366.396 2.197 20 30 FEEDRO C#C[C@@H](NC(=O)NCc1ccccc1C[NH+]1CCC(O)CC1)C(C)(C)C ZINC000290957617 552568452 /nfs/dbraw/zinc/56/84/52/552568452.db2.gz HJPFXLWMDPBNKY-LJQANCHMSA-N 1 0 357.498 2.490 20 30 FEEDRO N#Cc1ccc(NC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)cc1F ZINC000291272589 552609206 /nfs/dbraw/zinc/60/92/06/552609206.db2.gz LGTSSNIIZLLLEE-MRXNPFEDSA-N 1 0 358.417 2.113 20 30 FEEDRO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@@H](C)c1ccc(N2CCCNC2=O)cc1 ZINC000291297804 552612012 /nfs/dbraw/zinc/61/20/12/552612012.db2.gz RUINJCKYRYHJCB-CVEARBPZSA-N 1 0 371.485 2.265 20 30 FEEDRO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292195774 552703482 /nfs/dbraw/zinc/70/34/82/552703482.db2.gz RTXQMHXCAMAZKG-UTKZUKDTSA-N 1 0 370.497 2.358 20 30 FEEDRO Cc1ccccc1CCNC(=O)CN1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292218032 552705419 /nfs/dbraw/zinc/70/54/19/552705419.db2.gz OVIVWYPRQUNPCG-IBGZPJMESA-N 1 0 364.449 2.074 20 30 FEEDRO C[C@H](C(=O)NC1(C#N)CCCCC1)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292292423 552712978 /nfs/dbraw/zinc/71/29/78/552712978.db2.gz UHCOBFNNVRPKTQ-NVXWUHKLSA-N 1 0 367.453 2.138 20 30 FEEDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)C1 ZINC000292601885 552742125 /nfs/dbraw/zinc/74/21/25/552742125.db2.gz NCYGXYVRMASBJM-QZTJIDSGSA-N 1 0 371.485 2.094 20 30 FEEDRO CC[NH+](CC)Cc1ccc(CNC(=O)C(=O)Nc2ccc(C#N)cn2)cc1 ZINC000292921097 552771453 /nfs/dbraw/zinc/77/14/53/552771453.db2.gz BMSWLTJNFSLXQD-UHFFFAOYSA-N 1 0 365.437 2.050 20 30 FEEDRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C(=O)Nc1ccc(C#N)cn1 ZINC000292947222 552773893 /nfs/dbraw/zinc/77/38/93/552773893.db2.gz AEXZYCNDKVDYMO-UHFFFAOYSA-N 1 0 365.437 2.002 20 30 FEEDRO C=C(C)Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N(C)OC ZINC000293020368 552781280 /nfs/dbraw/zinc/78/12/80/552781280.db2.gz POOAOOOCMPNWQY-UHFFFAOYSA-N 1 0 370.501 2.217 20 30 FEEDRO C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc2nc(C(C)C)sc2c1 ZINC000293520657 552831932 /nfs/dbraw/zinc/83/19/32/552831932.db2.gz YWBWCULDPSIFOA-UHFFFAOYSA-N 1 0 372.494 2.430 20 30 FEEDRO CN(C)c1cc(C#N)cc(C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)c1 ZINC000294302687 552895385 /nfs/dbraw/zinc/89/53/85/552895385.db2.gz QYIKEZRQAXOESF-VQTJNVASSA-N 1 0 370.497 2.122 20 30 FEEDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1cnc(C(F)(F)F)c(C#N)c1 ZINC000294914195 552943813 /nfs/dbraw/zinc/94/38/13/552943813.db2.gz KAUIGNANCGFYGQ-ZDUSSCGKSA-N 1 0 358.364 2.059 20 30 FEEDRO CN(C)C(=O)O[C@H]1CC[N@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000295096799 552958801 /nfs/dbraw/zinc/95/88/01/552958801.db2.gz JWSBDILYIOSYJR-KRWDZBQOSA-N 1 0 353.426 2.231 20 30 FEEDRO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1C[C@@H](c2cnn(C)c2)C2(C1)CCOCC2 ZINC000295115686 552960379 /nfs/dbraw/zinc/96/03/79/552960379.db2.gz JBMGDGXAHMEZQO-HKUYNNGSSA-N 1 0 374.529 2.429 20 30 FEEDRO CN(CCC#N)C(=O)CC[N@H+](C)C[C@H](O)c1ccccc1Br ZINC000295256323 552976680 /nfs/dbraw/zinc/97/66/80/552976680.db2.gz GKHWWDCBKAABBQ-HNNXBMFYSA-N 1 0 368.275 2.176 20 30 FEEDRO N#Cc1cc(Br)ccc1CN1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000295333168 552989197 /nfs/dbraw/zinc/98/91/97/552989197.db2.gz MOSSIPHUIXWGNY-LLVKDONJSA-N 1 0 363.215 2.377 20 30 FEEDRO CC[C@@H](C)[NH+]1CCN(CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CC1 ZINC000296143203 553111375 /nfs/dbraw/zinc/11/13/75/553111375.db2.gz RYPFMAXNUJVJNU-MRXNPFEDSA-N 1 0 366.469 2.099 20 30 FEEDRO N#Cc1ccc(NC(=O)C(=O)NC2CC[NH+](C3CCC3)CC2)cc1Cl ZINC000296323613 553141351 /nfs/dbraw/zinc/14/13/51/553141351.db2.gz XMZMFFGTOSQVBL-UHFFFAOYSA-N 1 0 360.845 2.283 20 30 FEEDRO N#CCc1ccc(NC(=O)NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000296414552 553155636 /nfs/dbraw/zinc/15/56/36/553155636.db2.gz RWFCTJWIAMZMLH-HXUWFJFHSA-N 1 0 364.449 2.293 20 30 FEEDRO CO[C@@H](Cc1ccccc1)C[N@@H+]1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000296723382 553203046 /nfs/dbraw/zinc/20/30/46/553203046.db2.gz HRTTTXJJKQZFDU-WMZOPIPTSA-N 1 0 351.454 2.116 20 30 FEEDRO CN(CC[N@H+](C)C1CC1)C(=O)C(=O)Nc1sc(C(C)(C)C)cc1C#N ZINC000296791838 553212102 /nfs/dbraw/zinc/21/21/02/553212102.db2.gz GNUAVZGSZAJOSC-UHFFFAOYSA-N 1 0 362.499 2.408 20 30 FEEDRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]CC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000502834264 561626969 /nfs/dbraw/zinc/62/69/69/561626969.db2.gz RFLZGEXKQSIRBM-RBSFLKMASA-N 1 0 374.510 2.381 20 30 FEEDRO CC[C@H](C)[NH+]1CCN(C(=O)CCc2c(C)nc3c(C#N)cnn3c2C)CC1 ZINC000296986098 553238888 /nfs/dbraw/zinc/23/88/88/553238888.db2.gz PNWNKTKKGCSZSF-AWEZNQCLSA-N 1 0 368.485 2.093 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@@H](C)[S@](=O)CC1)C(C)C ZINC000297013393 553242331 /nfs/dbraw/zinc/24/23/31/553242331.db2.gz HONNVOYWOKDCAD-HOZJOUCCSA-N 1 0 355.548 2.238 20 30 FEEDRO Cc1cc(NCC[NH2+]C[C@@H](O)COc2ccc(C#N)cc2)nc(C(C)C)n1 ZINC000600764058 553312589 /nfs/dbraw/zinc/31/25/89/553312589.db2.gz WJKWYEARDZDISC-QGZVFWFLSA-N 1 0 369.469 2.222 20 30 FEEDRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)C(=O)N(C)C[C@H](C)C#N ZINC000297977128 553365397 /nfs/dbraw/zinc/36/53/97/553365397.db2.gz YRGXRXHJDQONHD-OAHLLOKOSA-N 1 0 364.515 2.037 20 30 FEEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000298177788 553394533 /nfs/dbraw/zinc/39/45/33/553394533.db2.gz DAMIYWSXFFMGIX-UHFFFAOYSA-N 1 0 370.497 2.097 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1ccc(-n2cnnn2)cc1)C(C)C ZINC000503411405 561640684 /nfs/dbraw/zinc/64/06/84/561640684.db2.gz PJCJPEZZYFZHOI-SFHVURJKSA-N 1 0 369.473 2.482 20 30 FEEDRO CC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2)[C@H]1CCNC1=O ZINC000298419107 553423036 /nfs/dbraw/zinc/42/30/36/553423036.db2.gz FUMPNMLYFFAJSL-WFASDCNBSA-N 1 0 374.510 2.284 20 30 FEEDRO N#Cc1ccc(CNC(=O)CN2CCC[N@H+](Cc3ccccc3)CC2)cc1 ZINC000298464509 553427995 /nfs/dbraw/zinc/42/79/95/553427995.db2.gz MZJFRQHEZGPORO-UHFFFAOYSA-N 1 0 362.477 2.382 20 30 FEEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CC[C@@H](C[N@H+](C)CC)C1 ZINC000298504678 553433677 /nfs/dbraw/zinc/43/36/77/553433677.db2.gz YNTVECPKNLTXAP-IBGZPJMESA-N 1 0 370.497 2.097 20 30 FEEDRO C[NH+](C)CC1CCC(NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)CC1 ZINC000503610071 561645427 /nfs/dbraw/zinc/64/54/27/561645427.db2.gz GUTUWFWTHOBNOC-JFIBYHEFSA-N 1 0 351.491 2.485 20 30 FEEDRO CC(C)[C@H](CNC(=O)N[C@H](C)c1ccc(C#N)cc1)[NH+]1CCN(C)CC1 ZINC000298766646 553470156 /nfs/dbraw/zinc/47/01/56/553470156.db2.gz ZIHGRGWECWZOOY-APWZRJJASA-N 1 0 357.502 2.190 20 30 FEEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)CCn1cc(Cl)cn1 ZINC000299351828 553551663 /nfs/dbraw/zinc/55/16/63/553551663.db2.gz PKJXZEQENFALSB-UHFFFAOYSA-N 1 0 359.861 2.389 20 30 FEEDRO N#CCC[C@H](C#N)CN1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000299590637 553585694 /nfs/dbraw/zinc/58/56/94/553585694.db2.gz SWDSYULCLIJVPQ-UXHICEINSA-N 1 0 366.513 2.359 20 30 FEEDRO C#CCNC(=O)c1ccc(N[C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)nc1 ZINC000301323916 553642540 /nfs/dbraw/zinc/64/25/40/553642540.db2.gz WXPGFHYXSGECKT-LPHOPBHVSA-N 1 0 363.465 2.162 20 30 FEEDRO CC[NH+]1CCN(CCNc2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000302664304 553724532 /nfs/dbraw/zinc/72/45/32/553724532.db2.gz MFVNGNBBLYDZGR-UHFFFAOYSA-N 1 0 354.414 2.064 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1Cl ZINC000321644692 553767022 /nfs/dbraw/zinc/76/70/22/553767022.db2.gz BJCVXXGFQRWELX-BBRMVZONSA-N 1 0 353.875 2.364 20 30 FEEDRO N#Cc1ccc2nc(N[C@@H]3CCC[N@H+](CCN4CCOCC4)C3)ccc2c1 ZINC000603423142 553784861 /nfs/dbraw/zinc/78/48/61/553784861.db2.gz MKSRWWRXASRWJT-LJQANCHMSA-N 1 0 365.481 2.315 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000327064717 553785763 /nfs/dbraw/zinc/78/57/63/553785763.db2.gz YJKIXSRDZUNPPR-UHFFFAOYSA-N 1 0 359.407 2.072 20 30 FEEDRO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CCC[C@@H]2[C@H]2CCCC[C@@H]2O)c1 ZINC000328473160 553794305 /nfs/dbraw/zinc/79/43/05/553794305.db2.gz DSWYAOJZHBNVJD-QRVBRYPASA-N 1 0 362.495 2.347 20 30 FEEDRO O=C(NCC1([NH+]2CCCC2)CCOCC1)N[C@H]1CCCC12CCOCC2 ZINC000328646370 553801767 /nfs/dbraw/zinc/80/17/67/553801767.db2.gz AZOXGDPDLHRHLY-KRWDZBQOSA-N 1 0 365.518 2.484 20 30 FEEDRO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CCC[C@H](Cn2ccnn2)C1 ZINC000328660753 553803773 /nfs/dbraw/zinc/80/37/73/553803773.db2.gz VXFOPFGLUFCTEC-RBUKOAKNSA-N 1 0 368.485 2.179 20 30 FEEDRO Cc1nn(C)c(C)c1NC(=O)[C@@H](C)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000328659451 553803812 /nfs/dbraw/zinc/80/38/12/553803812.db2.gz SUCQNRGNRMZZFS-SJORKVTESA-N 1 0 363.506 2.058 20 30 FEEDRO CNC(=O)NC1CN(C(=O)NCc2ccccc2C[NH+]2CCCCCC2)C1 ZINC000328693321 553808464 /nfs/dbraw/zinc/80/84/64/553808464.db2.gz JOKOFVNUGIDSNL-UHFFFAOYSA-N 1 0 373.501 2.294 20 30 FEEDRO CC[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCN(c3ccccc3OC)C2=O)C1 ZINC000328697957 553808652 /nfs/dbraw/zinc/80/86/52/553808652.db2.gz HIKHVAMDVYHCKX-HZPDHXFCSA-N 1 0 374.485 2.036 20 30 FEEDRO CC(C)[C@H](NC(=O)C1CC[NH+](C2CC2)CC1)c1nc(-c2nc[nH]n2)no1 ZINC000328707043 553810225 /nfs/dbraw/zinc/81/02/25/553810225.db2.gz AMYQJOOUESQOGS-ZDUSSCGKSA-N 1 0 359.434 2.383 20 30 FEEDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3cn4c(n3)CCCC4)cn2)CC1 ZINC000328709757 553810719 /nfs/dbraw/zinc/81/07/19/553810719.db2.gz MPQPDMOUGKZRAX-UHFFFAOYSA-N 1 0 368.485 2.261 20 30 FEEDRO C[N@@H+]1CCN(CCNC(=O)c2cnc([C@@H]3CCCO3)s2)CC1(C)C ZINC000328717819 553811826 /nfs/dbraw/zinc/81/18/26/553811826.db2.gz PMJQVNDOWZZBBQ-ZDUSSCGKSA-N 1 0 352.504 2.325 20 30 FEEDRO O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)N1CC[C@@](F)(CO)C1 ZINC000328718254 553811842 /nfs/dbraw/zinc/81/18/42/553811842.db2.gz UYPMQAOZMJAQHJ-PBHICJAKSA-N 1 0 355.479 2.280 20 30 FEEDRO C[C@@H]1C[N@@H+](C2CCN(C(=O)N[C@@H]3CCCC34CCOCC4)CC2)CCO1 ZINC000328737308 553814463 /nfs/dbraw/zinc/81/44/63/553814463.db2.gz ZZHAHYYYDWRHPR-SJLPKXTDSA-N 1 0 365.518 2.435 20 30 FEEDRO O=C(NCC1CCN(C(=O)C2CC[NH+](C3CC3)CC2)CC1)c1ccccn1 ZINC000328749890 553816614 /nfs/dbraw/zinc/81/66/14/553816614.db2.gz MNINWFCVTDFKPA-UHFFFAOYSA-N 1 0 370.497 2.499 20 30 FEEDRO C[C@H](C(=O)NCCc1cccs1)[N@@H+]1CCC[C@@H]1[C@@H]1COCC[C@H]1O ZINC000328846689 553831706 /nfs/dbraw/zinc/83/17/06/553831706.db2.gz VPCQYOYLVOHKIG-XLNGHYISSA-N 1 0 352.500 2.497 20 30 FEEDRO Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)N1CC[C@@H]2OCCN(C)[C@@H]2C1 ZINC000328898635 553841069 /nfs/dbraw/zinc/84/10/69/553841069.db2.gz WTGZFSSVVYXQBD-XKQJLSEDSA-N 1 0 363.506 2.326 20 30 FEEDRO Cc1noc([C@H]2CCN([C@H]3CCCN(c4ccc(C#N)cc4)C3=O)C2)n1 ZINC000329014296 553864709 /nfs/dbraw/zinc/86/47/09/553864709.db2.gz FSYQEHWQRNHOFM-RDJZCZTQSA-N 1 0 351.410 2.235 20 30 FEEDRO CC(=O)N[C@H](C(=O)N1CCC([N@H+]2CCO[C@@H](C)C2)CC1)C1CCCC1 ZINC000329029385 553867656 /nfs/dbraw/zinc/86/76/56/553867656.db2.gz PFHFFVXBRKKJPW-KSSFIOAISA-N 1 0 351.491 2.233 20 30 FEEDRO C[N@@H+]1CC[C@@H]2OCCN(CC(=O)Nc3nc4c(s3)CCCC4)[C@@H]2C1 ZINC000329030501 553867987 /nfs/dbraw/zinc/86/79/87/553867987.db2.gz PMPWIEHFQDQTCW-KGLIPLIRSA-N 1 0 350.488 2.015 20 30 FEEDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1cnn2c1[nH]c(=O)c1ccccc12 ZINC000329066446 553874536 /nfs/dbraw/zinc/87/45/36/553874536.db2.gz LLKWGNUSKGFMOQ-GDBMZVCRSA-N 1 0 351.410 2.107 20 30 FEEDRO O=C(NC1CC[NH+](C2CCCC2)CC1)N[C@@H]1CCO[C@]2(CCOC2)C1 ZINC000329109980 553882183 /nfs/dbraw/zinc/88/21/83/553882183.db2.gz JEGMHJNXQOFBSC-VQIMIIECSA-N 1 0 351.491 2.235 20 30 FEEDRO C[C@@H]1CC[C@H](C)N1CC(=O)Nc1cc(S(=O)(=O)NC2CC2)ccc1O ZINC000329118247 553883398 /nfs/dbraw/zinc/88/33/98/553883398.db2.gz OIBFCWRJAXOGLP-TXEJJXNPSA-N 1 0 367.471 2.294 20 30 FEEDRO C[C@H]1CN(CC(=O)Nc2nc(CN3CCCC3)cs2)C[C@@H]1[NH+](C)C ZINC000329132569 553886196 /nfs/dbraw/zinc/88/61/96/553886196.db2.gz ATKYIGKTOVONHL-ZFWWWQNUSA-N 1 0 351.520 2.209 20 30 FEEDRO CC(=O)N1CC[C@H](CN(C)C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000329137565 553887484 /nfs/dbraw/zinc/88/74/84/553887484.db2.gz HRGPKQZZYUBOQC-GOSISDBHSA-N 1 0 373.501 2.012 20 30 FEEDRO CN1CC[C@@H]([NH+]2CCC(NC(=O)COc3ccccc3Cl)CC2)C1=O ZINC000329162461 553893041 /nfs/dbraw/zinc/89/30/41/553893041.db2.gz FZIVJMINSDVDMQ-OAHLLOKOSA-N 1 0 365.861 2.370 20 30 FEEDRO CCSc1ccc(C(=O)NC2CC[NH+]([C@@H]3CCN(C)C3=O)CC2)cn1 ZINC000329171757 553895033 /nfs/dbraw/zinc/89/50/33/553895033.db2.gz KSDYZAWUMOLJSN-OAHLLOKOSA-N 1 0 362.499 2.193 20 30 FEEDRO Cc1ccc(OCC(=O)NC2CC[NH+]([C@H]3CCN(C)C3=O)CC2)cc1C ZINC000329195504 553899777 /nfs/dbraw/zinc/89/97/77/553899777.db2.gz UHHSIYDCEYIFNI-SFHVURJKSA-N 1 0 359.470 2.334 20 30 FEEDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)N[C@H]1CC(=O)N(C2CCCCC2)C1 ZINC000329204455 553901702 /nfs/dbraw/zinc/90/17/02/553901702.db2.gz YWFQSSUIXITEMU-HOTGVXAUSA-N 1 0 350.507 2.108 20 30 FEEDRO Cn1nccc1[C@H]1[C@H](CNC(=O)c2csc(NC3CC3)n2)CCC[N@@H+]1C ZINC000329212416 553903716 /nfs/dbraw/zinc/90/37/16/553903716.db2.gz ZWFCNGPIHBMYNV-BLLLJJGKSA-N 1 0 374.514 2.839 20 30 FEEDRO CC1(CNC(=O)NC[C@H]2CN(C(=O)c3ccccc3)[C@H]3CC[N@@H+]2C3)CCC1 ZINC000329224110 553905960 /nfs/dbraw/zinc/90/59/60/553905960.db2.gz ZCPLAUQIRWJOJQ-ROUUACIJSA-N 1 0 370.497 2.279 20 30 FEEDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)N[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000329242445 553909534 /nfs/dbraw/zinc/90/95/34/553909534.db2.gz OIBIFKUEAYPUBA-JFIYKMOQSA-N 1 0 356.470 2.265 20 30 FEEDRO CN(C(=O)Nc1ccnc(C(=O)N2CCN(C)CC2)c1)C(C1CC1)C1CC1 ZINC000329245847 553909779 /nfs/dbraw/zinc/90/97/79/553909779.db2.gz AJOIQZYECDHVMG-UHFFFAOYSA-N 1 0 371.485 2.135 20 30 FEEDRO CC1(C)C[C@H](NC(=O)NC[C@@]2(N3CCOCC3)CCSC2)C(C)(C)O1 ZINC000329245506 553909781 /nfs/dbraw/zinc/90/97/81/553909781.db2.gz QOLAAQRCCUUELV-KSSFIOAISA-N 1 0 371.547 2.044 20 30 FEEDRO C[N@@H+]1CC[C@H](NC(=O)N2CCOC[C@@H]2[C@@H]2CCCO2)[C@H]1c1ccccc1 ZINC000329297906 553920287 /nfs/dbraw/zinc/92/02/87/553920287.db2.gz UBJDRUUUQAYPKR-ZSYWTGECSA-N 1 0 359.470 2.226 20 30 FEEDRO CC(C)[C@H](C(=O)NCC(C)(C)N1CCS(=O)CC1)[NH+]1CCCCC1 ZINC000329322413 553925356 /nfs/dbraw/zinc/92/53/56/553925356.db2.gz USQAEVGZVXIHRZ-MRXNPFEDSA-N 1 0 357.564 2.296 20 30 FEEDRO CC[C@H](C)[C@H](NC(=O)N1CCCC1)C(=O)N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000329369245 553933567 /nfs/dbraw/zinc/93/35/67/553933567.db2.gz JKXNKILWBUCVFC-MLHJIOFPSA-N 1 0 364.534 2.496 20 30 FEEDRO CC(C)C[C@@H]1C[C@H](NC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)CCO1 ZINC000329434021 553945697 /nfs/dbraw/zinc/94/56/97/553945697.db2.gz JDASPFQWMIVJTK-RCCFBDPRSA-N 1 0 353.507 2.148 20 30 FEEDRO O=C(NC[C@H]1CC(=O)N(C2CC2)C1)[C@@H](c1ccccc1)N1CCC(O)CC1 ZINC000329476560 553953716 /nfs/dbraw/zinc/95/37/16/553953716.db2.gz BOAPDKDHUWTDJG-FOIQADDNSA-N 1 0 371.481 2.152 20 30 FEEDRO Cc1cc(C(=O)NC[C@@]2([NH+](C)C)CCSC2)nn1-c1cccc(C#N)c1 ZINC000506727407 561706962 /nfs/dbraw/zinc/70/69/62/561706962.db2.gz YOYPQFQBOPQEBJ-IBGZPJMESA-N 1 0 369.494 2.220 20 30 FEEDRO C[C@@H](CN1CCN(c2ccccn2)CC1)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000329517977 553961016 /nfs/dbraw/zinc/96/10/16/553961016.db2.gz NJAAOGSYZMOUQY-BZSNNMDCSA-N 1 0 359.518 2.279 20 30 FEEDRO CCO[C@@H]1C[C@H](NC(=O)N2CC[C@H]([NH+]3CCCC3)[C@H]2C)C12CCOCC2 ZINC000329539435 553964434 /nfs/dbraw/zinc/96/44/34/553964434.db2.gz MUBKWGNPZLQTKM-VSZNYVQBSA-N 1 0 365.518 2.433 20 30 FEEDRO Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000329709111 553993008 /nfs/dbraw/zinc/99/30/08/553993008.db2.gz LKUKFRWGAMXPTE-UKRRQHHQSA-N 1 0 365.499 2.223 20 30 FEEDRO C[C@@H]1C[C@H](NC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)CC[N@@H+]1C ZINC000329720822 553994652 /nfs/dbraw/zinc/99/46/52/553994652.db2.gz MWJDSGPOKQINTH-RBSFLKMASA-N 1 0 373.453 2.250 20 30 FEEDRO C[C@H](NC(=O)NCCc1csc(N2CCCC2)n1)C1=CC[N@H+](C)CC1 ZINC000329718507 553995012 /nfs/dbraw/zinc/99/50/12/553995012.db2.gz YWRAJAUJUHBAPA-AWEZNQCLSA-N 1 0 363.531 2.440 20 30 FEEDRO Cn1cc(N2CCC[C@@H](NC(=O)N3CCC([NH+]4CCCCC4)CC3)C2)cn1 ZINC000329793658 554007112 /nfs/dbraw/zinc/00/71/12/554007112.db2.gz BHXYRFLHCRPZMP-QGZVFWFLSA-N 1 0 374.533 2.253 20 30 FEEDRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000329805257 554009196 /nfs/dbraw/zinc/00/91/96/554009196.db2.gz MUVBFBBAYFDWPK-GUDVDZBRSA-N 1 0 370.497 2.260 20 30 FEEDRO CN(C(=O)CNC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1)C1CCCCC1 ZINC000329828579 554013662 /nfs/dbraw/zinc/01/36/62/554013662.db2.gz RWUFHMNJWLZHDZ-QGZVFWFLSA-N 1 0 350.507 2.252 20 30 FEEDRO CN1C[C@H](NC(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)CCC1=O ZINC000329823148 554013054 /nfs/dbraw/zinc/01/30/54/554013054.db2.gz ZJCZFDCECIUOLU-JJRVBVJISA-N 1 0 364.515 2.255 20 30 FEEDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)N[C@H]2CC(=O)N(c3ccccc3F)C2)C1 ZINC000329829642 554014095 /nfs/dbraw/zinc/01/40/95/554014095.db2.gz SDXWBKFSOYJPGK-HLLBOEOZSA-N 1 0 374.460 2.261 20 30 FEEDRO CC(C)(C)[C@@H]1CCN(C(=O)NCC2([NH+]3CCCC3)CCOCC2)C[C@@H]1O ZINC000329837873 554015588 /nfs/dbraw/zinc/01/55/88/554015588.db2.gz NAXJGIBUFUXNLF-SJORKVTESA-N 1 0 367.534 2.274 20 30 FEEDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)CSc1nnnn1C1CCCC1 ZINC000329846345 554017711 /nfs/dbraw/zinc/01/77/11/554017711.db2.gz QRBWFCBXTMHCMJ-RISCZKNCSA-N 1 0 350.492 2.320 20 30 FEEDRO O=C(NCCc1cn2c(n1)SCC2)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000329849499 554018475 /nfs/dbraw/zinc/01/84/75/554018475.db2.gz NSSZSGUUWGFPQJ-UHFFFAOYSA-N 1 0 363.531 2.396 20 30 FEEDRO O=C(N[C@H]1CCCS(=O)(=O)C1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000329864490 554021215 /nfs/dbraw/zinc/02/12/15/554021215.db2.gz ZRZHEFUEJIZRKJ-IRXDYDNUSA-N 1 0 371.547 2.066 20 30 FEEDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@H]2C[C@H](OC)CN2C(C)=O)C1 ZINC000329888873 554025043 /nfs/dbraw/zinc/02/50/43/554025043.db2.gz ZMROKFFTYMKLRX-IXDOHACOSA-N 1 0 353.507 2.479 20 30 FEEDRO CCO[C@@H]1C[C@@H](NC(=O)N2CCC[N@@H+](C(C)C)CC2)C12CCOCC2 ZINC000329915941 554030990 /nfs/dbraw/zinc/03/09/90/554030990.db2.gz DKUGEVNMJYJLGS-IAGOWNOFSA-N 1 0 353.507 2.291 20 30 FEEDRO CC(=O)N1CCC[C@@H](CNC(=O)NCC2([NH+](C)C)CCCCCC2)C1 ZINC000329929596 554033656 /nfs/dbraw/zinc/03/36/56/554033656.db2.gz NRDXDMAXMKSPAK-KRWDZBQOSA-N 1 0 352.523 2.403 20 30 FEEDRO [O-]C(=[NH+][C@@H]1CCn2ccnc2C1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000329958399 554038899 /nfs/dbraw/zinc/03/88/99/554038899.db2.gz QPFRIQKLENJAPX-CEXWTWQISA-N 1 0 365.481 2.176 20 30 FEEDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2C[C@H](C)O[C@@]3(CCOC3)C2)C1 ZINC000329997807 554046704 /nfs/dbraw/zinc/04/67/04/554046704.db2.gz RDQAHPPLELPRMT-GJYPPUQNSA-N 1 0 353.507 2.291 20 30 FEEDRO CO[C@]1(C)CCCN(C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC000329998807 554046734 /nfs/dbraw/zinc/04/67/34/554046734.db2.gz SYDGYHZEBVFYDC-VQIMIIECSA-N 1 0 353.507 2.292 20 30 FEEDRO O=C(NC1CC[NH+](C2CC2)CC1)N1CCC(c2nnc3n2CCCC3)CC1 ZINC000330006765 554048439 /nfs/dbraw/zinc/04/84/39/554048439.db2.gz DBEBQGSYOZPVIW-UHFFFAOYSA-N 1 0 372.517 2.335 20 30 FEEDRO CCN(C(=O)N[C@@H]1CCN(C(C)=O)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000330007666 554048445 /nfs/dbraw/zinc/04/84/45/554048445.db2.gz DTSXMVSZPBIOOH-RTBURBONSA-N 1 0 358.486 2.118 20 30 FEEDRO O=C(Cn1cc(NC(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)cn1)NC1CCCC1 ZINC000330011239 554049006 /nfs/dbraw/zinc/04/90/06/554049006.db2.gz IQWDZBRDUMRRPN-QGZVFWFLSA-N 1 0 372.473 2.274 20 30 FEEDRO CC[NH+]1CCC(N(C)C(=O)C2CCN(c3oc(C)nc3C#N)CC2)CC1 ZINC000330031271 554052045 /nfs/dbraw/zinc/05/20/45/554052045.db2.gz SXRDIQMXRPCBEO-UHFFFAOYSA-N 1 0 359.474 2.014 20 30 FEEDRO Cc1nc2ncnn2c(C)c1CCC(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000330058412 554056631 /nfs/dbraw/zinc/05/66/31/554056631.db2.gz YXMSTQVGUWOICT-KRWDZBQOSA-N 1 0 362.503 2.068 20 30 FEEDRO CC[N@@H+]1CCC[C@H](CNC(=O)N[C@H]2CCN(Cc3ccc(C)cc3)C2=O)C1 ZINC000330076148 554060055 /nfs/dbraw/zinc/06/00/55/554060055.db2.gz DOKJVPHWNIAATN-MOPGFXCFSA-N 1 0 372.513 2.331 20 30 FEEDRO CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)NCC1([NH+](C)C)CCCCC1)CC2 ZINC000330091751 554062921 /nfs/dbraw/zinc/06/29/21/554062921.db2.gz YBQQTTDUHUKDSX-IAGOWNOFSA-N 1 0 367.534 2.417 20 30 FEEDRO CO[C@]1(C)C[C@H](NC(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)C1(C)C ZINC000330127350 554069633 /nfs/dbraw/zinc/06/96/33/554069633.db2.gz CMGTYSXPVOQKJN-OAFZBRQQSA-N 1 0 353.507 2.071 20 30 FEEDRO CC[NH+]1CCN(c2ccc(CNC(=O)N[C@@H]3CCCSC3)cn2)CC1 ZINC000330136809 554071939 /nfs/dbraw/zinc/07/19/39/554071939.db2.gz ULDSASRYHVTUAN-MRXNPFEDSA-N 1 0 363.531 2.123 20 30 FEEDRO O=C(NCC1([NH+]2CCSCC2)CCCC1)N[C@@H]1CCn2ccnc2C1 ZINC000330168685 554077513 /nfs/dbraw/zinc/07/75/13/554077513.db2.gz AYYJVWKJSCYGED-OAHLLOKOSA-N 1 0 363.531 2.063 20 30 FEEDRO CS(=O)(=O)C[C@@H]1CCN(C(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)C1 ZINC000330170500 554077697 /nfs/dbraw/zinc/07/76/97/554077697.db2.gz BTDOQOUEKIXRAR-WBVHZDCISA-N 1 0 371.547 2.064 20 30 FEEDRO CC(=O)NC[C@@H]1CCn2ncc(C(=O)N3CC[C@@H]([NH+]4CCCCC4)C3)c2C1 ZINC000330177984 554078928 /nfs/dbraw/zinc/07/89/28/554078928.db2.gz LFXBVYCIDIPCFC-IAGOWNOFSA-N 1 0 373.501 2.122 20 30 FEEDRO CC[C@@H]1CO[C@H](C)CN1C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000330231559 554089953 /nfs/dbraw/zinc/08/99/53/554089953.db2.gz RBQNHJFZPWKFKQ-VDHUWJSZSA-N 1 0 353.507 2.168 20 30 FEEDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1ccnn1C ZINC000330238509 554091002 /nfs/dbraw/zinc/09/10/02/554091002.db2.gz HXLWXRVPWFUIHZ-BASYENTBSA-N 1 0 361.490 2.016 20 30 FEEDRO CC(C)CN1CCN(C(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)[C@@H](C)C1=O ZINC000330243092 554091737 /nfs/dbraw/zinc/09/17/37/554091737.db2.gz CJZZAZOERGCRHY-IRXDYDNUSA-N 1 0 352.523 2.210 20 30 FEEDRO CN(C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)C1Cc2ccccc2C1 ZINC000330245257 554092235 /nfs/dbraw/zinc/09/22/35/554092235.db2.gz XQDZEJBUXZVYLD-UXHICEINSA-N 1 0 357.498 2.377 20 30 FEEDRO O=C(NC1CC[NH+](CC2CC2)CC1)N[C@H]1CCOC2(CCOCC2)C1 ZINC000330257499 554093960 /nfs/dbraw/zinc/09/39/60/554093960.db2.gz LNZFFFDBSLGWEA-KRWDZBQOSA-N 1 0 351.491 2.093 20 30 FEEDRO C[C@@H]1C[C@H](NC(=O)N2CCC(OC[C@@H]3CCCCO3)CC2)CC[N@@H+]1C ZINC000330257979 554094701 /nfs/dbraw/zinc/09/47/01/554094701.db2.gz RAMBWVLPFHNGLD-NUJGCVRESA-N 1 0 353.507 2.433 20 30 FEEDRO CC[N@@H+]1CCC[C@H](NC(=O)N2CCC[C@@H](Oc3ncccc3F)C2)C1 ZINC000330261556 554095504 /nfs/dbraw/zinc/09/55/04/554095504.db2.gz PELKIBCEVJBKAY-LSDHHAIUSA-N 1 0 350.438 2.462 20 30 FEEDRO C[C@H](CNC(=O)[C@@H]1OCC(=O)N(C)[C@@H]1c1ccccc1)C[NH+]1CCCC1 ZINC000330292176 554100667 /nfs/dbraw/zinc/10/06/67/554100667.db2.gz HAURGWIOOFLZBQ-ATZDWAIDSA-N 1 0 359.470 2.273 20 30 FEEDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1cnn(CCO)c1-c1ccccc1 ZINC000330324757 554105338 /nfs/dbraw/zinc/10/53/38/554105338.db2.gz ITCRONZTYGEMQH-MSOLQXFVSA-N 1 0 354.454 2.474 20 30 FEEDRO CNS(=O)(=O)c1cccc(C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC000330375228 554112839 /nfs/dbraw/zinc/11/28/39/554112839.db2.gz COOUXPBDQHWFGJ-CQSZACIVSA-N 1 0 353.488 2.020 20 30 FEEDRO CC(C)C(=O)NC[C@@H]1CCCN(C(=O)NCC[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000330416546 554118728 /nfs/dbraw/zinc/11/87/28/554118728.db2.gz BAVKENBSVFKKGF-SJORKVTESA-N 1 0 352.523 2.117 20 30 FEEDRO CC[NH+](CC)C[C@@H](C)NC(=O)N1CCN(C(=O)c2ccc(C)s2)CC1 ZINC000330484585 554127192 /nfs/dbraw/zinc/12/71/92/554127192.db2.gz YEZIAVFMCTUHKK-CQSZACIVSA-N 1 0 366.531 2.459 20 30 FEEDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCC[C@H](CNC(N)=O)C2)C1 ZINC000330484994 554127503 /nfs/dbraw/zinc/12/75/03/554127503.db2.gz ZEQDFSMFFAIXGX-HUUCEWRRSA-N 1 0 353.511 2.205 20 30 FEEDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NS(=O)(=O)Cc1cc(C#N)ccc1F ZINC000330489375 554128284 /nfs/dbraw/zinc/12/82/84/554128284.db2.gz KKKKSUAAVROHPU-KFWWJZLASA-N 1 0 367.490 2.483 20 30 FEEDRO C[C@H](O)C[N@@H+]1CCN(C(=O)Nc2ccc(OC(F)F)c(F)c2)[C@H](C)C1 ZINC000330541961 554135572 /nfs/dbraw/zinc/13/55/72/554135572.db2.gz WTFKNCWAJQKVNR-MNOVXSKESA-N 1 0 361.364 2.360 20 30 FEEDRO COc1c(NC(=O)N2CC[C@H]([NH+](C)C)C2)cc(Cl)cc1C(=O)N(C)C ZINC000330578391 554140981 /nfs/dbraw/zinc/14/09/81/554140981.db2.gz RZCHRRGVXYIYKF-LBPRGKRZSA-N 1 0 368.865 2.232 20 30 FEEDRO C[C@@H](CNC(=O)c1sccc1S(=O)(=O)N1CCCCC1)C[NH+](C)C ZINC000330621273 554146932 /nfs/dbraw/zinc/14/69/32/554146932.db2.gz LTMVCFQGFBINHY-ZDUSSCGKSA-N 1 0 373.544 2.425 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H](C)C(=O)N2CCCC[C@@H]2C)CC1 ZINC000330663114 554153529 /nfs/dbraw/zinc/15/35/29/554153529.db2.gz UUWOTYVHAXGNOI-JKSUJKDBSA-N 1 0 350.507 2.320 20 30 FEEDRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)Nc1cccc(CS(C)(=O)=O)c1 ZINC000330758438 554167540 /nfs/dbraw/zinc/16/75/40/554167540.db2.gz LNZUWYPFIYDXGU-INIZCTEOSA-N 1 0 353.488 2.049 20 30 FEEDRO CC(C)[C@H](Oc1ccccc1C#N)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000508319833 561758769 /nfs/dbraw/zinc/75/87/69/561758769.db2.gz QYDSOHANXFHYHL-IBGZPJMESA-N 1 0 372.513 2.104 20 30 FEEDRO COc1ccc(CNC(=O)N2CC[N@H+](C)C[C@@H]2C(C)C)c(OC)c1OC ZINC000330884359 554183013 /nfs/dbraw/zinc/18/30/13/554183013.db2.gz KPSSLWHECBBJQF-OAHLLOKOSA-N 1 0 365.474 2.398 20 30 FEEDRO Cc1c(CS(C)(=O)=O)cccc1NC(=O)N1CC[N@@H+](C)[C@@H](C)[C@H]1C ZINC000330897404 554184685 /nfs/dbraw/zinc/18/46/85/554184685.db2.gz UEUHHXSNRLWUID-UONOGXRCSA-N 1 0 353.488 2.110 20 30 FEEDRO CCNC(=O)[C@H](C)NC(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000330936749 554191155 /nfs/dbraw/zinc/19/11/55/554191155.db2.gz SYUYGCOUGWSTMF-YDHLFZDLSA-N 1 0 352.504 2.159 20 30 FEEDRO COc1cc(NC(=O)N2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)ccc1OC(C)C ZINC000330975584 554196042 /nfs/dbraw/zinc/19/60/42/554196042.db2.gz HGWOVTXBWRHFII-LSDHHAIUSA-N 1 0 365.474 2.415 20 30 FEEDRO C[C@H](C(=O)NC(=O)NC(C)(C)C)[NH+]1CCC(OC[C@H]2CCCCO2)CC1 ZINC000331179738 554226461 /nfs/dbraw/zinc/22/64/61/554226461.db2.gz YOUZSGTVPJGINE-GDBMZVCRSA-N 1 0 369.506 2.254 20 30 FEEDRO C=CCn1c(C)nnc1N(C)C[C@@H]1CCC[N@@H+](CC)[C@H]1c1cnn(C)c1 ZINC000508706885 561770346 /nfs/dbraw/zinc/77/03/46/561770346.db2.gz RIOUDJYJCSKFRF-FUHWJXTLSA-N 1 0 357.506 2.415 20 30 FEEDRO C[C@H]1CN(C(=O)NCCc2cc(F)c(F)c(F)c2)CC[N@@H+]1CC(C)(C)O ZINC000331215954 554232427 /nfs/dbraw/zinc/23/24/27/554232427.db2.gz DIEFEGNMMWHFDB-LBPRGKRZSA-N 1 0 373.419 2.337 20 30 FEEDRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NCCc1cc(F)c(F)c(F)c1 ZINC000331220097 554232938 /nfs/dbraw/zinc/23/29/38/554232938.db2.gz IYDSHAIGQUNOCL-LBPRGKRZSA-N 1 0 373.419 2.337 20 30 FEEDRO Cc1cc(NC(=O)NCCN2CC[N@H+](C)C(C)(C)C2)c(C#N)cc1N(C)C ZINC000331250722 554236468 /nfs/dbraw/zinc/23/64/68/554236468.db2.gz ZWAGTXDHXFAOCK-UHFFFAOYSA-N 1 0 372.517 2.285 20 30 FEEDRO COCCN1CCC([NH2+][C@@H]2CCCN(c3ccc(C#N)cc3F)C2)CC1 ZINC000331550168 554284064 /nfs/dbraw/zinc/28/40/64/554284064.db2.gz MXZAIJCQNNKQCU-GOSISDBHSA-N 1 0 360.477 2.367 20 30 FEEDRO CC[C@@](C)(C#N)C(=O)Nc1ccc(CC[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000509093773 561784578 /nfs/dbraw/zinc/78/45/78/561784578.db2.gz JNTWPEDSKGVVTP-FQEVSTJZSA-N 1 0 356.470 2.305 20 30 FEEDRO Cc1ccccc1[C@H]([C@H](C)NS(=O)(=O)N(C)[C@@H](C)CC#N)[NH+](C)C ZINC000509252472 561792314 /nfs/dbraw/zinc/79/23/14/561792314.db2.gz CLCLPBJOCSMEJB-ZOBUZTSGSA-N 1 0 352.504 2.055 20 30 FEEDRO Cc1cc(C(=O)N2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)ncc1C#N ZINC000332100296 554380438 /nfs/dbraw/zinc/38/04/38/554380438.db2.gz DWSWPABYGYBWAH-HZPDHXFCSA-N 1 0 356.470 2.223 20 30 FEEDRO CN1CC[NH+](CC2(C)CCN([C@@H](C(N)=O)c3ccc(C#N)cc3)CC2)CC1 ZINC000332116460 554383722 /nfs/dbraw/zinc/38/37/22/554383722.db2.gz KEDUKKSAJKIDPS-LJQANCHMSA-N 1 0 369.513 2.484 20 30 FEEDRO CC[NH+](CC)CCN(Cc1ccccc1)S(=O)(=O)N(C)[C@@H](C)CC#N ZINC000510097290 561824769 /nfs/dbraw/zinc/82/47/69/561824769.db2.gz ATPPGNBAQWZATN-KRWDZBQOSA-N 1 0 366.531 2.309 20 30 FEEDRO C[C@@H]1COCC[C@H]1CNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000510616492 561840930 /nfs/dbraw/zinc/84/09/30/561840930.db2.gz OPCPXEAWRZQOFY-APWZRJJASA-N 1 0 358.486 2.304 20 30 FEEDRO CC[NH+](CC)CCOc1ccc(NC(=O)C(=O)NCC(C)(C)C#N)cc1 ZINC000510688245 561843566 /nfs/dbraw/zinc/84/35/66/561843566.db2.gz ZQJVWIRAVHNSIF-UHFFFAOYSA-N 1 0 360.458 2.012 20 30 FEEDRO C[C@@H]1CN(Cc2nnc(-c3cccc(C#N)c3)o2)CC2(CCOCC2)O1 ZINC000333248817 554594274 /nfs/dbraw/zinc/59/42/74/554594274.db2.gz CWJCLSQYPQFZGL-CQSZACIVSA-N 1 0 354.410 2.378 20 30 FEEDRO C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000333357290 554605691 /nfs/dbraw/zinc/60/56/91/554605691.db2.gz STXDJDUNYDQGSQ-OAHLLOKOSA-N 1 0 361.877 2.137 20 30 FEEDRO Cc1cc(N2CC[C@@H]([N+]34CCN(CC3)CC4)C2=O)ccc1Br ZINC000359879844 554855893 /nfs/dbraw/zinc/85/58/93/554855893.db2.gz ZHQLTQPFCXOBHZ-MRXNPFEDSA-N 1 0 365.295 2.009 20 30 FEEDRO C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@H](C(=O)Nc2nc(C)cs2)C1 ZINC000360292377 554869870 /nfs/dbraw/zinc/86/98/70/554869870.db2.gz QTHMNXZQHZNHAO-HNNXBMFYSA-N 1 0 362.499 2.303 20 30 FEEDRO Cc1cc(C#N)ccc1C(=O)N1CCC2(CC1)NC(=O)C1(CCCCC1)N2 ZINC000360341433 554871835 /nfs/dbraw/zinc/87/18/35/554871835.db2.gz FPWCKJVSTUGKLJ-UHFFFAOYSA-N 1 0 366.465 2.221 20 30 FEEDRO C[NH+](C)CCOc1cccc(CNC(=O)Cc2c(F)cccc2C#N)c1 ZINC000511496139 561870953 /nfs/dbraw/zinc/87/09/53/561870953.db2.gz PMUSJXQIKILQOQ-UHFFFAOYSA-N 1 0 355.413 2.497 20 30 FEEDRO CS(=O)(=O)N1CCC[C@H](C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)C1 ZINC000362107619 554950798 /nfs/dbraw/zinc/95/07/98/554950798.db2.gz XBZJQPRQKKONIF-QGZVFWFLSA-N 1 0 359.495 2.319 20 30 FEEDRO COCC[N@@H+]1CCCN(C(=O)[C@H](Oc2ccccc2C#N)C(C)C)CC1 ZINC000362143063 554952657 /nfs/dbraw/zinc/95/26/57/554952657.db2.gz SODQUCIHAJRGMR-LJQANCHMSA-N 1 0 359.470 2.142 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C2(c3ccccc3)CCN(C(C)=O)CC2)CC1 ZINC000362880990 554995491 /nfs/dbraw/zinc/99/54/91/554995491.db2.gz QWLXTIQPCRTPLK-UHFFFAOYSA-N 1 0 369.509 2.333 20 30 FEEDRO CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCC(C(=O)Nc2cc(C)ccn2)CC1 ZINC000363007712 555008695 /nfs/dbraw/zinc/00/86/95/555008695.db2.gz NFVZTHILPMMVIW-INIZCTEOSA-N 1 0 371.485 2.049 20 30 FEEDRO N#Cc1ccc(NC(=O)CC[NH+]2CCC(NC(=O)c3ccc[nH]3)CC2)cc1 ZINC000363121218 555034939 /nfs/dbraw/zinc/03/49/39/555034939.db2.gz XRRDFEHQKJVUIK-UHFFFAOYSA-N 1 0 365.437 2.109 20 30 FEEDRO C[C@@H]([NH2+]C(C)(C)CNC(=O)N1CCN(C2CC2)[C@@H](C#N)C1)c1ccccc1 ZINC000363129236 555036926 /nfs/dbraw/zinc/03/69/26/555036926.db2.gz DEZVTDFJVBOFOH-APWZRJJASA-N 1 0 369.513 2.498 20 30 FEEDRO C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1NCc1cnc2ccc(C#N)cn12 ZINC000363236021 555060825 /nfs/dbraw/zinc/06/08/25/555060825.db2.gz IYQMEYVEJXOKOI-LZQZEXGQSA-N 1 0 353.470 2.185 20 30 FEEDRO CN(CC(=O)Nc1ccc(C#N)cc1)C1CC[NH+](C2CCOCC2)CC1 ZINC000363452969 555108976 /nfs/dbraw/zinc/10/89/76/555108976.db2.gz OSQXAIPXFVPSSW-UHFFFAOYSA-N 1 0 356.470 2.072 20 30 FEEDRO CN(CC(=O)Nc1sccc1C#N)C1CC[NH+](C2CCOCC2)CC1 ZINC000363453261 555109940 /nfs/dbraw/zinc/10/99/40/555109940.db2.gz UHAPCSTYAMEWIQ-UHFFFAOYSA-N 1 0 362.499 2.133 20 30 FEEDRO CC(C)OCC[NH+]1CCC(NC(=O)NCC#Cc2cccc(F)c2)CC1 ZINC000512160597 561894622 /nfs/dbraw/zinc/89/46/22/561894622.db2.gz YETAEYMHAZCPJB-UHFFFAOYSA-N 1 0 361.461 2.366 20 30 FEEDRO C=C(C)C[N@H+](CCC(=O)Nc1ccc(C(N)=O)cc1)Cc1ccc(CO)o1 ZINC000512229185 561896628 /nfs/dbraw/zinc/89/66/28/561896628.db2.gz QJUXBMBCOZFPSL-UHFFFAOYSA-N 1 0 371.437 2.278 20 30 FEEDRO Cc1cc(CN2CCC([N@H+](C)CC(=O)Nc3ccc(C#N)cc3)CC2)on1 ZINC000364193991 555267174 /nfs/dbraw/zinc/26/71/74/555267174.db2.gz ZTOACSIFHGMZJQ-UHFFFAOYSA-N 1 0 367.453 2.390 20 30 FEEDRO CC[C@@](C)(C#N)C(=O)N1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000512311149 561899694 /nfs/dbraw/zinc/89/96/94/561899694.db2.gz WLLGPQUFQAQEFY-FQEVSTJZSA-N 1 0 362.518 2.157 20 30 FEEDRO N#Cc1c(F)cccc1C(=O)NC[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000364478556 555321038 /nfs/dbraw/zinc/32/10/38/555321038.db2.gz WGCPYYAWUPJTHR-MRXNPFEDSA-N 1 0 353.397 2.328 20 30 FEEDRO C=CCc1cc(C(=O)N2CCN([C@@H]3CCC[C@H]3O)CC2)cc(OC)c1OC ZINC000364742405 555391213 /nfs/dbraw/zinc/39/12/13/555391213.db2.gz KVNJMMIOPILSNE-QZTJIDSGSA-N 1 0 374.481 2.104 20 30 FEEDRO CC(C)C[C@@H](CNC(=O)[C@@H]1CCC(=O)N1Cc1cccc(C#N)c1)[NH+](C)C ZINC000364766976 555397361 /nfs/dbraw/zinc/39/73/61/555397361.db2.gz FOCRXNOPYPNVCE-OALUTQOASA-N 1 0 370.497 2.142 20 30 FEEDRO N#Cc1cnccc1NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F ZINC000512710662 561913088 /nfs/dbraw/zinc/91/30/88/561913088.db2.gz XHXAVJXMCPNSIT-MRXNPFEDSA-N 1 0 356.376 2.471 20 30 FEEDRO CN(C)c1ccncc1C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 ZINC000364942389 555445057 /nfs/dbraw/zinc/44/50/57/555445057.db2.gz GFLSNRILPLOIGN-UHFFFAOYSA-N 1 0 350.357 2.596 20 30 FEEDRO CN(CCC#N)C(=O)CC[N@@H+]1CC[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1 ZINC000365222019 555515074 /nfs/dbraw/zinc/51/50/74/555515074.db2.gz JQICTYHTJAYSKC-CVEARBPZSA-N 1 0 364.490 2.080 20 30 FEEDRO Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N(C)[C@@H]3CCC[N@H+](C)C3)C2)n1 ZINC000365768520 555663082 /nfs/dbraw/zinc/66/30/82/555663082.db2.gz HAMFLEXAHIAGHJ-ZWKOTPCHSA-N 1 0 355.486 2.031 20 30 FEEDRO Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N3CCC([NH+](C)C)CC3)C2)n1 ZINC000365774818 555665102 /nfs/dbraw/zinc/66/51/02/555665102.db2.gz YUAHNIGHTFFKHX-KRWDZBQOSA-N 1 0 355.486 2.031 20 30 FEEDRO N#Cc1cc(F)ccc1NC(=O)C(=O)N1CCC[C@@H]([NH+]2CCCCC2)C1 ZINC000365944424 555707707 /nfs/dbraw/zinc/70/77/07/555707707.db2.gz ZALINRBBLHFXPS-MRXNPFEDSA-N 1 0 358.417 2.113 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCCC[C@H]2CCS(C)(=O)=O)CC1 ZINC000366177764 555773392 /nfs/dbraw/zinc/77/33/92/555773392.db2.gz LASURTBANQQSLO-KRWDZBQOSA-N 1 0 371.547 2.026 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N2C[C@@H](CC)O[C@]3(CCCOC3)C2)CC1 ZINC000366303422 555806838 /nfs/dbraw/zinc/80/68/38/555806838.db2.gz GGRZDYWGLHEVEN-IEBWSBKVSA-N 1 0 351.491 2.006 20 30 FEEDRO CS(=O)(=O)CC[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC000366372905 555825717 /nfs/dbraw/zinc/82/57/17/555825717.db2.gz DEVZXXSNVQOKIH-KRWDZBQOSA-N 1 0 363.483 2.176 20 30 FEEDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)/C=C/c1ccc(OCC#N)cc1 ZINC000366432137 555842099 /nfs/dbraw/zinc/84/20/99/555842099.db2.gz BCNKVVWPGAAQCI-JXKNLXJDSA-N 1 0 369.465 2.312 20 30 FEEDRO C[NH+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CCCN(c3ccccc3C#N)C2)C1 ZINC000366627599 555893889 /nfs/dbraw/zinc/89/38/89/555893889.db2.gz FLLPFRASVKKYBP-FUHWJXTLSA-N 1 0 355.486 2.120 20 30 FEEDRO C[NH+](C)C[C@H]1CN(S(=O)(=O)c2ccc(C#N)s2)c2ccccc2O1 ZINC000366625230 555894005 /nfs/dbraw/zinc/89/40/05/555894005.db2.gz TUOOERJIWNEHRK-LBPRGKRZSA-N 1 0 363.464 2.138 20 30 FEEDRO N#Cc1ccc(S(N)(=O)=O)cc1N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000366818169 555942468 /nfs/dbraw/zinc/94/24/68/555942468.db2.gz JUDARKSXZAVEOF-QGZVFWFLSA-N 1 0 370.478 2.282 20 30 FEEDRO C=CCN1CC[C@@H](N(C)CC(=O)N2CCc3sccc3[C@@H]2CC)C1=O ZINC000366873501 555956988 /nfs/dbraw/zinc/95/69/88/555956988.db2.gz ZVJTUUVPSYQURV-JKSUJKDBSA-N 1 0 361.511 2.303 20 30 FEEDRO Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CCCC34CCCCC4)CC2)o1 ZINC000366986914 555990434 /nfs/dbraw/zinc/99/04/34/555990434.db2.gz KCRKFSDLHZFCOL-UHFFFAOYSA-N 1 0 371.485 2.302 20 30 FEEDRO C=CCN(CC=C)C(=O)C[NH+]1CCC(n2ncc(C(=O)OCC)c2C)CC1 ZINC000367150231 556002472 /nfs/dbraw/zinc/00/24/72/556002472.db2.gz CSMMXRMEOSXLGP-UHFFFAOYSA-N 1 0 374.485 2.206 20 30 FEEDRO C=CCN(C(=O)c1nc(C)c(C)[nH]c1=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000367199127 556003531 /nfs/dbraw/zinc/00/35/31/556003531.db2.gz AZADMSWONBZXED-SFHVURJKSA-N 1 0 366.465 2.289 20 30 FEEDRO C[C@@H]1CN(c2nc3cc(Cl)ccn3c2C#N)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000367436885 556048593 /nfs/dbraw/zinc/04/85/93/556048593.db2.gz TVVGIJAWFBRXHI-GDBMZVCRSA-N 1 0 372.904 2.322 20 30 FEEDRO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCC2(C[C@H]2C(=O)N2CCCC2)CC1 ZINC000367562156 556082941 /nfs/dbraw/zinc/08/29/41/556082941.db2.gz GEZZFKZKKKMBHQ-MSOLQXFVSA-N 1 0 359.514 2.300 20 30 FEEDRO Cc1cc(S(=O)(=O)N2C[C@H]([NH3+])[C@@H](c3ccc(F)cc3)C2)ccc1C#N ZINC000367686062 556114299 /nfs/dbraw/zinc/11/42/99/556114299.db2.gz IMWNVFJPHYQQTD-MSOLQXFVSA-N 1 0 359.426 2.121 20 30 FEEDRO N#C[C@@]1(C(=O)NCCCC[N@H+]2CCC[C@@H]2CO)CCc2ccccc2C1 ZINC000367699569 556117995 /nfs/dbraw/zinc/11/79/95/556117995.db2.gz QYVMDKLSZQYWJF-TZIWHRDSSA-N 1 0 355.482 2.038 20 30 FEEDRO N#C[C@H](c1cccs1)N1CCN(C(=O)C[N@@H+]2CC3CCC2CC3)CC1 ZINC000367763316 556132591 /nfs/dbraw/zinc/13/25/91/556132591.db2.gz KUHHFVHYUYVFMO-OFLPRAFFSA-N 1 0 358.511 2.331 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2C[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)o1 ZINC000368086386 556214788 /nfs/dbraw/zinc/21/47/88/556214788.db2.gz XBMCINGQQMCYQV-IAGOWNOFSA-N 1 0 371.462 2.294 20 30 FEEDRO C=CCC[C@@H](NC(=O)C(=O)N[C@H]1CCn2ccnc2C1)c1ccccc1 ZINC000515245716 562002483 /nfs/dbraw/zinc/00/24/83/562002483.db2.gz ZTNRTSXLMMQQNT-DLBZAZTESA-N 1 0 352.438 2.138 20 30 FEEDRO Cc1oc(NC(=O)CN[C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@H]2C)c(C#N)c1C ZINC000368418870 556303872 /nfs/dbraw/zinc/30/38/72/556303872.db2.gz YZEQOJNHAWPSOL-RPVQJOFSSA-N 1 0 374.485 2.186 20 30 FEEDRO COc1ccc(C(=O)N2CCN([C@H]3CC[C@@H](C#N)C3)CC2)c(OC)c1OC ZINC000515314821 562004851 /nfs/dbraw/zinc/00/48/51/562004851.db2.gz PTJYXDNUDVWRPV-CABCVRRESA-N 1 0 373.453 2.162 20 30 FEEDRO COc1ccc(C(=O)N2CCN([C@@H]3CC[C@H](C#N)C3)CC2)c(OC)c1OC ZINC000515314824 562004858 /nfs/dbraw/zinc/00/48/58/562004858.db2.gz PTJYXDNUDVWRPV-LSDHHAIUSA-N 1 0 373.453 2.162 20 30 FEEDRO O=C(C[NH+]1CCC2(CCO2)CC1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000368522831 556334709 /nfs/dbraw/zinc/33/47/09/556334709.db2.gz RQGYFLIVTVEQKB-UHFFFAOYSA-N 1 0 366.383 2.428 20 30 FEEDRO Cc1cc(=NC(=O)N[C@@H]2CCC[N@@H+](C3CCCCC3)C2)[nH]n1CCC#N ZINC000368592907 556356702 /nfs/dbraw/zinc/35/67/02/556356702.db2.gz RHDDXTMJXTWDJL-MRXNPFEDSA-N 1 0 358.490 3.024 20 30 FEEDRO C#CCCCS(=O)(=O)NCC1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000368622906 556366757 /nfs/dbraw/zinc/36/67/57/556366757.db2.gz ILTOVVNVLSVRRA-UHFFFAOYSA-N 1 0 364.511 2.240 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)NCCNc2cc(C)nc(C(C)C)n2)CC1 ZINC000623635116 556459920 /nfs/dbraw/zinc/45/99/20/556459920.db2.gz VLAHOIPYHKXPCP-UHFFFAOYSA-N 1 0 360.506 2.270 20 30 FEEDRO N#Cc1c(NC(=O)CC[N@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)sc2c1CCC2 ZINC000368967204 556461840 /nfs/dbraw/zinc/46/18/40/556461840.db2.gz VSWNDAPZHKTZLW-PRXAMGSTSA-N 1 0 372.494 2.023 20 30 FEEDRO COc1ccc(C#N)cc1C[N@@H+]1CCC[C@@H](c2n[nH]cc2C(=O)N(C)C)C1 ZINC000369043671 556486451 /nfs/dbraw/zinc/48/64/51/556486451.db2.gz BUQKJJRQBWZYCB-OAHLLOKOSA-N 1 0 367.453 2.371 20 30 FEEDRO COc1cc(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)ccc1C#N ZINC000515834015 562023127 /nfs/dbraw/zinc/02/31/27/562023127.db2.gz KHOPARARQCJFNR-INIZCTEOSA-N 1 0 357.366 2.005 20 30 FEEDRO C[C@H]1CCC[C@@](CNC(=O)N2CCC(n3cnc(C#N)n3)CC2)([NH+](C)C)C1 ZINC000369093232 556503125 /nfs/dbraw/zinc/50/31/25/556503125.db2.gz UIZOLKMFEWBQRY-HNAYVOBHSA-N 1 0 373.505 2.007 20 30 FEEDRO C[N@@H+]1CC[C@@H]2CCN(S(=O)(=O)c3ccc(C(F)(F)F)c(C#N)c3)C[C@@H]21 ZINC000369116832 556508625 /nfs/dbraw/zinc/50/86/25/556508625.db2.gz OCJYRLJMVLEIBF-ABAIWWIYSA-N 1 0 373.400 2.292 20 30 FEEDRO N#C[C@@H]1CN(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)CCN1C1CC1 ZINC000369219257 556539275 /nfs/dbraw/zinc/53/92/75/556539275.db2.gz NHSPHUHZUXTWPY-IAGOWNOFSA-N 1 0 373.526 2.267 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N(C)C2CCN(c3ncccn3)CC2)CC1 ZINC000369309655 556571112 /nfs/dbraw/zinc/57/11/12/556571112.db2.gz ZMPJBIUJUMORKI-UHFFFAOYSA-N 1 0 372.517 2.127 20 30 FEEDRO Cn1cc([C@H]2[C@H](C[NH2+]Cc3cnc4ccc(C#N)cn34)CCCN2C)cn1 ZINC000369479060 556607804 /nfs/dbraw/zinc/60/78/04/556607804.db2.gz RBBLMOLNIMCQIP-OXJNMPFZSA-N 1 0 363.469 2.112 20 30 FEEDRO N#Cc1ccccc1NC(=O)CCN1CCC[N@@H+](C2CCOCC2)CC1 ZINC000369553302 556629630 /nfs/dbraw/zinc/62/96/30/556629630.db2.gz YCFVQOHIEPMYME-UHFFFAOYSA-N 1 0 356.470 2.074 20 30 FEEDRO N#Cc1ccc(OC[C@H](O)C[NH2+][C@@H]2c3ccccc3CC[C@H]2CO)cc1 ZINC000369557989 556630872 /nfs/dbraw/zinc/63/08/72/556630872.db2.gz BQGVTYXEBQNBGT-UEXGIBASSA-N 1 0 352.434 2.184 20 30 FEEDRO C=CCc1ccccc1OC[C@H](O)C[NH2+][C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000516277034 562038341 /nfs/dbraw/zinc/03/83/41/562038341.db2.gz SYTOPHPURHRUGP-UYAOXDASSA-N 1 0 370.497 2.147 20 30 FEEDRO C[NH+](C)CCn1ccc(=NC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)[nH]1 ZINC000369778187 556691948 /nfs/dbraw/zinc/69/19/48/556691948.db2.gz AOCSXCMPILBXFX-MSOLQXFVSA-N 1 0 366.469 2.748 20 30 FEEDRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)Nc2ccc(C#N)cc2)C1 ZINC000369803740 556699770 /nfs/dbraw/zinc/69/97/70/556699770.db2.gz OBAYJNIHCXZWIS-LJQANCHMSA-N 1 0 362.433 2.230 20 30 FEEDRO N#CC[C@@H]1C[C@H]2[C@H](CCC[C@@H]2[NH2+]Cc2cccnc2N2CCOCC2)O1 ZINC000369848123 556711383 /nfs/dbraw/zinc/71/13/83/556711383.db2.gz SAJFACICQMEHQB-YRXWBPOGSA-N 1 0 356.470 2.248 20 30 FEEDRO C=CCOc1ccccc1CNC(=O)C1(N2CCN(C)CC2)CCCC1 ZINC000369927963 556732483 /nfs/dbraw/zinc/73/24/83/556732483.db2.gz RXJRMSSGSWQCKM-UHFFFAOYSA-N 1 0 357.498 2.428 20 30 FEEDRO CCc1nc(CN2C[C@@H]3C[N@@H+](Cc4ccc(F)c(C#N)c4)C[C@@H]3C2)no1 ZINC000370424654 556868787 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ZINC000371739102 557280089 /nfs/dbraw/zinc/28/00/89/557280089.db2.gz JJVZIWUEYSHJKN-GOEBONIOSA-N 1 0 351.520 2.021 20 30 FEEDRO N#CCCn1ccc(=NC(=O)NC2CC[NH+](Cc3ccccc3F)CC2)[nH]1 ZINC000371792400 557295003 /nfs/dbraw/zinc/29/50/03/557295003.db2.gz JYYMUSJUNJHGPO-UHFFFAOYSA-N 1 0 370.432 2.722 20 30 FEEDRO C=CCn1c(-c2nnn(C)c2C)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC000518698632 562116646 /nfs/dbraw/zinc/11/66/46/562116646.db2.gz JEXXGCSBBDGCEV-UHFFFAOYSA-N 1 0 370.505 2.023 20 30 FEEDRO CN(Cc1cccc(C#N)c1)C(=O)C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000518801231 562118938 /nfs/dbraw/zinc/11/89/38/562118938.db2.gz GSEJQBIOXLKUOR-UHFFFAOYSA-N 1 0 370.497 2.287 20 30 FEEDRO N#Cc1ccc(N2CCC[C@@H]([NH+]3CCC(O[C@H]4CCOC4)CC3)C2=O)cc1 ZINC000518812880 562119212 /nfs/dbraw/zinc/11/92/12/562119212.db2.gz VHYPCJWAIJPPAZ-VQTJNVASSA-N 1 0 369.465 2.324 20 30 FEEDRO COc1ccccc1N1CC[C@H](C)N(CC(=O)N[C@@](C)(C#N)C2CC2)CC1 ZINC000372197990 557406997 /nfs/dbraw/zinc/40/69/97/557406997.db2.gz VDNOMRQOTASHJW-KKSFZXQISA-N 1 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CC(C)c1ccccc1OC[C@H](O)C[NH+]1CCC(n2cnc(C#N)n2)CC1 ZINC000373407265 557688227 /nfs/dbraw/zinc/68/82/27/557688227.db2.gz UBBSCPYXLAGWIY-QGZVFWFLSA-N 1 0 369.469 2.350 20 30 FEEDRO CC(C)c1ccccc1OC[C@@H](O)C[NH+]1CCC(n2cnc(C#N)n2)CC1 ZINC000373407262 557688325 /nfs/dbraw/zinc/68/83/25/557688325.db2.gz UBBSCPYXLAGWIY-KRWDZBQOSA-N 1 0 369.469 2.350 20 30 FEEDRO C=CCN(C(=O)NCc1noc(C)n1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000373503466 557706242 /nfs/dbraw/zinc/70/62/42/557706242.db2.gz DRSZRLJHSTWBAY-QGZVFWFLSA-N 1 0 355.442 2.350 20 30 FEEDRO N#Cc1cccc(-n2ccc(C(=O)N3C[C@@H]4C[N@@H+]5CCCC[C@H]5[C@@H]4C3)n2)c1 ZINC000373960170 557796666 /nfs/dbraw/zinc/79/66/66/557796666.db2.gz YUHGGMTUHDFTFH-HQRMLTQVSA-N 1 0 361.449 2.300 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000520693850 562161856 /nfs/dbraw/zinc/16/18/56/562161856.db2.gz YPEPHHFMJNHOHJ-UHFFFAOYSA-N 1 0 362.430 2.443 20 30 FEEDRO N#Cc1cccc(S(=O)(=O)CCN2CCC([C@H]3CCCOC3)CC2)c1 ZINC000374737954 557923719 /nfs/dbraw/zinc/92/37/19/557923719.db2.gz UTCXQEPFMGCWDZ-SFHVURJKSA-N 1 0 362.495 2.471 20 30 FEEDRO N#Cc1ccc(N2CC[C@@H]([N@@H+]3CC[C@]4(C3)C(=O)Nc3ccccc34)C2=O)cc1 ZINC000375316564 558007974 /nfs/dbraw/zinc/00/79/74/558007974.db2.gz ADXAAFIPVWNUPL-DENIHFKCSA-N 1 0 372.428 2.259 20 30 FEEDRO Cc1n[nH]cc1C1CCN(CCS(=O)(=O)c2cccc(C#N)c2)CC1 ZINC000375338108 558011313 /nfs/dbraw/zinc/01/13/13/558011313.db2.gz WBBMVJDDXYGLCB-UHFFFAOYSA-N 1 0 358.467 2.243 20 30 FEEDRO N#CCCCOc1cccc(C[N@H+]2C[C@@H](C(N)=O)[C@H](C(F)(F)F)C2)c1 ZINC000375413872 558023333 /nfs/dbraw/zinc/02/33/33/558023333.db2.gz XREAXFYYOWCGMA-HUUCEWRRSA-N 1 0 355.360 2.465 20 30 FEEDRO CC(C)[NH+](CCCNC(=O)N1CCC(n2cnc(C#N)n2)CC1)C(C)C ZINC000375920239 558100063 /nfs/dbraw/zinc/10/00/63/558100063.db2.gz MOLPNWWRROFQBO-UHFFFAOYSA-N 1 0 361.494 2.005 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cnc3cc(OC)ccc3c2O)CC1 ZINC000521584411 562179372 /nfs/dbraw/zinc/17/93/72/562179372.db2.gz HWWKISAWIFJJJA-UHFFFAOYSA-N 1 0 355.438 2.307 20 30 FEEDRO C[C@H]1CN(C(=O)c2cc(C#N)ccc2Cl)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000376107511 558127908 /nfs/dbraw/zinc/12/79/08/558127908.db2.gz UKRXJLFUSLSOPF-KSSFIOAISA-N 1 0 360.889 2.310 20 30 FEEDRO C[C@@H]1C[C@@H](NC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)C[N@@H+]1C1CC1 ZINC000376220075 558143446 /nfs/dbraw/zinc/14/34/46/558143446.db2.gz HTHWBDYVSYYHTN-VNQPRFMTSA-N 1 0 356.445 2.265 20 30 FEEDRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1ccc(C#Cc2ccccc2)cc1 ZINC000521667514 562181828 /nfs/dbraw/zinc/18/18/28/562181828.db2.gz ODUFKGZEEDEOLK-IBGZPJMESA-N 1 0 361.489 2.452 20 30 FEEDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000376572448 558192460 /nfs/dbraw/zinc/19/24/60/558192460.db2.gz GQOPIYFKHUSLNC-WMLDXEAASA-N 1 0 365.441 2.229 20 30 FEEDRO C=CCCO[C@@H](C)C(=O)N(Cc1nccn1CC)[C@H]1CC12CC[NH2+]CC2 ZINC000376681212 558207477 /nfs/dbraw/zinc/20/74/77/558207477.db2.gz QHWVDKZJWXAGRH-IRXDYDNUSA-N 1 0 360.502 2.355 20 30 FEEDRO C[NH+]1CCC(CCNC(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CC1 ZINC000376870275 558231932 /nfs/dbraw/zinc/23/19/32/558231932.db2.gz OAKIONIHRFNSEY-UHFFFAOYSA-N 1 0 370.432 2.736 20 30 FEEDRO C#CC[C@H](Cc1ccccc1)NC(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000377239773 558296320 /nfs/dbraw/zinc/29/63/20/558296320.db2.gz RJXOZAWZLVHPFM-RTWAWAEBSA-N 1 0 368.525 2.042 20 30 FEEDRO N#Cc1cc(F)ccc1NC(=O)C(=O)N1CCC([NH2+]C2CCCC2)CC1 ZINC000377251032 558298467 /nfs/dbraw/zinc/29/84/67/558298467.db2.gz PFDWDYQFKGHWRQ-UHFFFAOYSA-N 1 0 358.417 2.159 20 30 FEEDRO C#CCC(CC#C)C(=O)N(C)C[C@@H]1CCC[N@@H+](CC)[C@H]1c1cnn(C)c1 ZINC000377278888 558305090 /nfs/dbraw/zinc/30/50/90/558305090.db2.gz DXXSPGCGQRJSBN-AZUAARDMSA-N 1 0 354.498 2.314 20 30 FEEDRO CCc1nc(CN2C[C@@H]3C[N@@H+](Cc4cc(C#N)ccc4F)C[C@@H]3C2)no1 ZINC000377431886 558339494 /nfs/dbraw/zinc/33/94/94/558339494.db2.gz KPRUROXFHDYGPF-IYBDPMFKSA-N 1 0 355.417 2.207 20 30 FEEDRO CCc1nc(CN2CCCN(C(=O)C3(C#N)CCOCC3)CC2)cs1 ZINC000377632022 558381107 /nfs/dbraw/zinc/38/11/07/558381107.db2.gz ZWVHUIBZDNAAND-UHFFFAOYSA-N 1 0 362.499 2.060 20 30 FEEDRO Cc1noc([C@H](C)NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)n1 ZINC000522440952 562198579 /nfs/dbraw/zinc/19/85/79/562198579.db2.gz HTOONGYTUGILFO-ZDUSSCGKSA-N 1 0 356.430 2.084 20 30 FEEDRO N#C[C@@H]1CN(C(=O)C2CC[NH+](Cc3ccccc3)CC2)CCN1C1CC1 ZINC000377666186 558390917 /nfs/dbraw/zinc/39/09/17/558390917.db2.gz CZMHXQXLTHALBP-HXUWFJFHSA-N 1 0 352.482 2.097 20 30 FEEDRO Cc1noc([C@@H](C)NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000522445101 562198657 /nfs/dbraw/zinc/19/86/57/562198657.db2.gz UIQPEVXESDYJTJ-CQSZACIVSA-N 1 0 368.441 2.228 20 30 FEEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1CC(=O)NCc1ccc(C#N)cc1 ZINC000523634599 562216409 /nfs/dbraw/zinc/21/64/09/562216409.db2.gz FZZDQCSLGJXEFB-GOSISDBHSA-N 1 0 362.477 2.381 20 30 FEEDRO C[C@H](CNC(=O)c1ccc(C#Cc2ccccc2)cc1)N1CC[NH+](C)CC1 ZINC000523697766 562218085 /nfs/dbraw/zinc/21/80/85/562218085.db2.gz ZNHRPUMXSZULMU-LJQANCHMSA-N 1 0 361.489 2.452 20 30 FEEDRO CCN(C[C@H](C)C#N)S(=O)(=O)N1CCC[C@@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000407955584 558633457 /nfs/dbraw/zinc/63/34/57/558633457.db2.gz RTXGDWANAVWORL-WCXIOVBPSA-N 1 0 356.536 2.050 20 30 FEEDRO CC[N@@H+]1CCCN(C(=O)[C@@H]2CCCN(c3nc(C)ccc3C#N)C2)CC1 ZINC000408287610 558664271 /nfs/dbraw/zinc/66/42/71/558664271.db2.gz SNSIFEFOPMPAKO-GOSISDBHSA-N 1 0 355.486 2.032 20 30 FEEDRO C[C@@H](C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C)n1cnc(C#N)n1 ZINC000409461920 558694242 /nfs/dbraw/zinc/69/42/42/558694242.db2.gz AYDBPKVIEWNZEU-CVEARBPZSA-N 1 0 366.469 2.402 20 30 FEEDRO C[C@@H](C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1)n1cnc(C#N)n1 ZINC000409463029 558694740 /nfs/dbraw/zinc/69/47/40/558694740.db2.gz ISLVLHPURPEOCA-CVEARBPZSA-N 1 0 366.469 2.259 20 30 FEEDRO N#Cc1cccc(NC(=O)NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000524976941 562238859 /nfs/dbraw/zinc/23/88/59/562238859.db2.gz IVZIFSBEOOCBEC-HXUWFJFHSA-N 1 0 350.422 2.317 20 30 FEEDRO CCOC(=O)[C@H](CC)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000411203418 558852648 /nfs/dbraw/zinc/85/26/48/558852648.db2.gz ZAKLUQCNSYGZIA-GOSISDBHSA-N 1 0 357.454 2.182 20 30 FEEDRO CCO[C@H]1COCC[C@@H]1[NH2+]CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000411554252 558916249 /nfs/dbraw/zinc/91/62/49/558916249.db2.gz FGKWMYCLDUZZTJ-GJZGRUSLSA-N 1 0 363.483 2.221 20 30 FEEDRO C=CC[N@@H+](C)CCN(CC)CC(=O)Nc1ccccc1N1CCCC1=O ZINC000411637136 558933280 /nfs/dbraw/zinc/93/32/80/558933280.db2.gz FNJQKGPQPYWEOR-UHFFFAOYSA-N 1 0 358.486 2.192 20 30 FEEDRO C[NH+]1CCC(NC(=O)NC2CCC(Oc3ncccc3C#N)CC2)CC1 ZINC000525846372 562257226 /nfs/dbraw/zinc/25/72/26/562257226.db2.gz HAXOZYJYLKCOBJ-UHFFFAOYSA-N 1 0 357.458 2.037 20 30 FEEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+]C2(CO)C3CC4CC(C3)CC2C4)c1 ZINC000412001565 559001197 /nfs/dbraw/zinc/00/11/97/559001197.db2.gz HCVZCTKFLBGACH-UHFFFAOYSA-N 1 0 374.506 2.109 20 30 FEEDRO C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CC[C@@H](c3nnc(C)[nH]3)C2)c(OC)c1 ZINC000412028062 559004048 /nfs/dbraw/zinc/00/40/48/559004048.db2.gz MPGOSUWKLRUISX-SJORKVTESA-N 1 0 372.469 2.079 20 30 FEEDRO CC[NH+]1CCN([C@@H]2CCN(c3cc(C(F)(F)F)cnc3C#N)C2)CC1 ZINC000413143355 559082614 /nfs/dbraw/zinc/08/26/14/559082614.db2.gz WBPIISNDUZBICG-CQSZACIVSA-N 1 0 353.392 2.188 20 30 FEEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]CCCCn1cc(C(N)=O)nn1 ZINC000414345132 559157579 /nfs/dbraw/zinc/15/75/79/559157579.db2.gz DHQMXLJCJJULQZ-KRWDZBQOSA-N 1 0 352.442 2.086 20 30 FEEDRO C[NH+](C)[C@H]1CCC[C@@H]1NS(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000414465138 559166143 /nfs/dbraw/zinc/16/61/43/559166143.db2.gz PMGDNMLMTCOLOE-KBPBESRZSA-N 1 0 372.288 2.082 20 30 FEEDRO C[C@@H]1C[N@@H+](Cc2ccccc2NCC(=O)NC2(C#N)CCC2)C[C@H](C)O1 ZINC000527117686 562277022 /nfs/dbraw/zinc/27/70/22/562277022.db2.gz CJCHBSVHICOSHW-IYBDPMFKSA-N 1 0 356.470 2.270 20 30 FEEDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)NC1CCC(Oc2ncccc2C#N)CC1 ZINC000527103191 562276618 /nfs/dbraw/zinc/27/66/18/562276618.db2.gz QXUCXJDFZVSEHN-LXPRWKDFSA-N 1 0 371.485 2.427 20 30 FEEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000415293709 559221600 /nfs/dbraw/zinc/22/16/00/559221600.db2.gz MYWIRGDKYIFGAF-OAHLLOKOSA-N 1 0 364.405 2.157 20 30 FEEDRO N#Cc1cccc(Oc2ccc(NC(=O)C(=O)N[C@H]3CCC[NH2+]C3)cc2)c1 ZINC000415309307 559222887 /nfs/dbraw/zinc/22/28/87/559222887.db2.gz ZBTUSPAPEWIJIA-INIZCTEOSA-N 1 0 364.405 2.157 20 30 FEEDRO N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N[C@@H]3CCC[NH2+]C3)cc2)cc1 ZINC000415319603 559223758 /nfs/dbraw/zinc/22/37/58/559223758.db2.gz UAOITNSBTYHSBK-MRXNPFEDSA-N 1 0 364.405 2.157 20 30 FEEDRO C[NH2+][C@@H]1CCCN(C(=O)C(=O)Nc2ccccc2S[C@@H](C)CC#N)C1 ZINC000415375040 559228830 /nfs/dbraw/zinc/22/88/30/559228830.db2.gz LBZDGPHHFRQPLM-UONOGXRCSA-N 1 0 360.483 2.230 20 30 FEEDRO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)Nc1scc(C(C)(C)C)c1C#N ZINC000415426017 559235107 /nfs/dbraw/zinc/23/51/07/559235107.db2.gz LAOGADBSXWZWII-LLVKDONJSA-N 1 0 350.488 2.345 20 30 FEEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000415427110 559235400 /nfs/dbraw/zinc/23/54/00/559235400.db2.gz BIUKFNNWMHCBKG-RBSFLKMASA-N 1 0 374.510 2.463 20 30 FEEDRO CC(C)[C@H](C(=O)OC(C)(C)C)N1CC[C@H]([NH2+]CCC(C)(C)C#N)C1=O ZINC000527193837 562279572 /nfs/dbraw/zinc/27/95/72/562279572.db2.gz YJUJSMKJJCSMFF-LSDHHAIUSA-N 1 0 351.491 2.483 20 30 FEEDRO CC(C)C[C@H](C[NH3+])NC(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 ZINC000415444347 559237613 /nfs/dbraw/zinc/23/76/13/559237613.db2.gz GBRDNDKKCSSORT-CYBMUJFWSA-N 1 0 360.849 2.892 20 30 FEEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000415469928 559240746 /nfs/dbraw/zinc/24/07/46/559240746.db2.gz XKAQEHPUHKVMBT-RDBSUJKOSA-N 1 0 360.483 2.073 20 30 FEEDRO C[NH2+]CCC1CCN(C(=O)C(=O)Nc2ccccc2SCCC#N)CC1 ZINC000415556232 559249265 /nfs/dbraw/zinc/24/92/65/559249265.db2.gz VPDUOLSIIOWPFF-UHFFFAOYSA-N 1 0 374.510 2.479 20 30 FEEDRO N#Cc1ccc(Oc2cccc(NC(=O)C(=O)NCC3([NH3+])CCC3)c2)cc1 ZINC000415566866 559250527 /nfs/dbraw/zinc/25/05/27/559250527.db2.gz WSPATFFDYRUTDP-UHFFFAOYSA-N 1 0 364.405 2.287 20 30 FEEDRO CCC([NH3+])(CC)CNC(=O)Nc1ccc(S(=O)(=O)[C@H](C)C#N)cc1 ZINC000415594802 559253773 /nfs/dbraw/zinc/25/37/73/559253773.db2.gz GMYOTMHHLYSVIX-GFCCVEGCSA-N 1 0 352.460 2.011 20 30 FEEDRO CCC([NH3+])(CC)CNC(=O)Nc1ccc(S(=O)(=O)[C@@H](C)C#N)cc1 ZINC000415594803 559253797 /nfs/dbraw/zinc/25/37/97/559253797.db2.gz GMYOTMHHLYSVIX-LBPRGKRZSA-N 1 0 352.460 2.011 20 30 FEEDRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)Nc1ccccc1C#Cc1ccccc1 ZINC000415623487 559255822 /nfs/dbraw/zinc/25/58/22/559255822.db2.gz ZTQQNMGNDOPDGY-OXQOHEQNSA-N 1 0 361.445 2.139 20 30 FEEDRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)Nc1cccc(C#Cc2ccccc2)c1 ZINC000415660195 559259246 /nfs/dbraw/zinc/25/92/46/559259246.db2.gz PHJVTNKMCZMRSN-OXQOHEQNSA-N 1 0 361.445 2.139 20 30 FEEDRO COC[C@@]1(CNC(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)CCC[NH2+]1 ZINC000415663614 559259308 /nfs/dbraw/zinc/25/93/08/559259308.db2.gz YUZSKRQATYQBQW-HNNXBMFYSA-N 1 0 372.347 2.347 20 30 FEEDRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)C(=O)Nc2ccccc2C#Cc2ccccc2)C1 ZINC000415842188 559277557 /nfs/dbraw/zinc/27/75/57/559277557.db2.gz WSQDQQOHGJFTFH-IEBWSBKVSA-N 1 0 361.445 2.269 20 30 FEEDRO O=C(Nc1ccccc1C#Cc1ccccc1)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000415860524 559279347 /nfs/dbraw/zinc/27/93/47/559279347.db2.gz CKHOEJWFGBESEW-LJQANCHMSA-N 1 0 361.445 2.283 20 30 FEEDRO C[N@@H+]1CCC[C@@H](CCNS(=O)(=O)c2ccc(CC#N)cc2Cl)C1 ZINC000416563685 559322122 /nfs/dbraw/zinc/32/21/22/559322122.db2.gz YLFSZNGLYGKRAE-AWEZNQCLSA-N 1 0 355.891 2.416 20 30 FEEDRO N#Cc1ccc(N2CCC[C@H](NC(=O)NCCC[C@@H]3CCC[NH2+]3)C2)c(F)c1 ZINC000417581903 559367735 /nfs/dbraw/zinc/36/77/35/559367735.db2.gz UICQDHBQSIZCOX-IRXDYDNUSA-N 1 0 373.476 2.498 20 30 FEEDRO N#Cc1ccccc1-c1ccc(CNC(=O)N2CCCO[C@@H](C[NH3+])C2)cc1 ZINC000418005587 559386205 /nfs/dbraw/zinc/38/62/05/559386205.db2.gz ZHUMMKMEPPDHMD-IBGZPJMESA-N 1 0 364.449 2.484 20 30 FEEDRO N#Cc1ccc(N2CCN(C(=O)N[C@H]3CCCC[C@H]3C[NH3+])CC2)c(F)c1 ZINC000418420227 559400864 /nfs/dbraw/zinc/40/08/64/559400864.db2.gz YUBRFUNZOPFNLU-RDJZCZTQSA-N 1 0 359.449 2.046 20 30 FEEDRO COCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000418640416 559408995 /nfs/dbraw/zinc/40/89/95/559408995.db2.gz MRFBZYRDCMHPPN-GOSISDBHSA-N 1 0 358.486 2.494 20 30 FEEDRO C[C@@H]1CN(Cc2ccc(Br)cc2C#N)[C@@H](C)C[N@@H+]1CCO ZINC000419347706 559438807 /nfs/dbraw/zinc/43/88/07/559438807.db2.gz XGSJUWFTDKKELB-OLZOCXBDSA-N 1 0 352.276 2.208 20 30 FEEDRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1Cc1cc(C#N)ccc1Br ZINC000419348527 559438942 /nfs/dbraw/zinc/43/89/42/559438942.db2.gz XRCBWBLUVMATQP-CHWSQXEVSA-N 1 0 352.276 2.208 20 30 FEEDRO C[C@H]([NH3+])c1ccc(CNC(=O)C(=O)N[C@@H](CCC#N)c2ccccc2)cc1 ZINC000419469337 559443956 /nfs/dbraw/zinc/44/39/56/559443956.db2.gz CSCCHUYIHBBXFM-KXBFYZLASA-N 1 0 364.449 2.484 20 30 FEEDRO C=CCC[C@@H](NC(=O)C(=O)N1CC[C@H]([NH3+])C1)c1ccc(C(F)(F)F)cc1 ZINC000419482262 559444567 /nfs/dbraw/zinc/44/45/67/559444567.db2.gz YAHSEIRIHSIINL-LSDHHAIUSA-N 1 0 369.387 2.389 20 30 FEEDRO N#CCC[C@@H](NC(=O)C(=O)NCC1([NH3+])CCCCCC1)c1ccccc1 ZINC000419482174 559444574 /nfs/dbraw/zinc/44/45/74/559444574.db2.gz XWYFNLGQZRIYGQ-QGZVFWFLSA-N 1 0 356.470 2.316 20 30 FEEDRO C=C(C)[C@H](NC(=O)C(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1)c1ccc(F)c(F)c1 ZINC000419686164 559454103 /nfs/dbraw/zinc/45/41/03/559454103.db2.gz YQYIPHMFLWKFBR-QEORTHHSSA-N 1 0 365.424 2.203 20 30 FEEDRO C=CCC[C@@H]1NC(=O)N(C[C@H]2CSCC[N@@H+]2Cc2ccccc2)C1=O ZINC000419938784 559465570 /nfs/dbraw/zinc/46/55/70/559465570.db2.gz QGGPHKFJIGCYSD-IRXDYDNUSA-N 1 0 359.495 2.491 20 30 FEEDRO C=CC[C@@H]1N(C(=O)C(=O)NCc2ccc3c(c2)C[NH2+]C3)CCCC1(C)C ZINC000420106809 559473041 /nfs/dbraw/zinc/47/30/41/559473041.db2.gz VDVVALMXVSBMBO-SFHVURJKSA-N 1 0 355.482 2.499 20 30 FEEDRO C[C@H]1CCN(S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)[C@H](C[NH3+])C1 ZINC000420423786 559486898 /nfs/dbraw/zinc/48/68/98/559486898.db2.gz OYXKMFGTAQYEIL-JQWIXIFHSA-N 1 0 361.389 2.325 20 30 FEEDRO N#Cc1cc(S(=O)(=O)NCCC[C@@H]2CCC[NH2+]2)ccc1C(F)(F)F ZINC000420455589 559488318 /nfs/dbraw/zinc/48/83/18/559488318.db2.gz ZNIYIYYGWWHAKL-LBPRGKRZSA-N 1 0 361.389 2.388 20 30 FEEDRO CCN1CCC([N@@H+]2CCCN(c3ccc(C#N)c([N+](=O)[O-])c3)CC2)CC1 ZINC000420630264 559494433 /nfs/dbraw/zinc/49/44/33/559494433.db2.gz SSLPXMIHKNQENV-UHFFFAOYSA-N 1 0 357.458 2.463 20 30 FEEDRO C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000420796481 559504975 /nfs/dbraw/zinc/50/49/75/559504975.db2.gz MVOWKNDKJDBBNF-LJQANCHMSA-N 1 0 357.498 2.279 20 30 FEEDRO N#C[C@H](c1ccc(Br)cc1)N1CC[NH+](C[C@H]2C[C@@H](O)C2)CC1 ZINC000420946967 559513480 /nfs/dbraw/zinc/51/34/80/559513480.db2.gz OEMLRIKEZOQIJR-XOKHGSTOSA-N 1 0 364.287 2.402 20 30 FEEDRO COC1([C@@H](C)[NH2+]CC(=O)Nc2ccc(C#N)c(Cl)c2)CCOCC1 ZINC000421036555 559521261 /nfs/dbraw/zinc/52/12/61/559521261.db2.gz QKNLSUKCBBMDTD-GFCCVEGCSA-N 1 0 351.834 2.324 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc3c(c2)C(=O)CCCC3)CC1 ZINC000421202341 559530728 /nfs/dbraw/zinc/53/07/28/559530728.db2.gz QJSVJBLRXLSBTN-UHFFFAOYSA-N 1 0 369.465 2.301 20 30 FEEDRO CCCN1C[C@@H](C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1=O ZINC000421355978 559539987 /nfs/dbraw/zinc/53/99/87/559539987.db2.gz VRQIKZVBODDENN-MRXNPFEDSA-N 1 0 351.454 2.307 20 30 FEEDRO C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)NCC[NH+]1CCC(C)CC1 ZINC000421528554 559544563 /nfs/dbraw/zinc/54/45/63/559544563.db2.gz ZTNIOYZGNXQPOT-IBGZPJMESA-N 1 0 357.498 2.138 20 30 FEEDRO C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000422533403 559593407 /nfs/dbraw/zinc/59/34/07/559593407.db2.gz XCIKRXXOLZZZRS-RBUKOAKNSA-N 1 0 357.498 2.090 20 30 FEEDRO C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000422538215 559593665 /nfs/dbraw/zinc/59/36/65/559593665.db2.gz GGEVPEQPSPQZBR-LJQANCHMSA-N 1 0 369.509 2.377 20 30 FEEDRO C=CCN(Cc1ccccc1)C(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000423130715 559620233 /nfs/dbraw/zinc/62/02/33/559620233.db2.gz YRWMCUJPYKVTSB-VQTJNVASSA-N 1 0 363.461 2.155 20 30 FEEDRO C=CCN(Cc1ccccc1F)C(=O)C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000423194752 559622525 /nfs/dbraw/zinc/62/25/25/559622525.db2.gz YOWYYBWBINJBTO-QGZVFWFLSA-N 1 0 373.472 2.188 20 30 FEEDRO N#CCCC[C@H]([NH3+])C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000424066423 559653385 /nfs/dbraw/zinc/65/33/85/559653385.db2.gz NGUCDCHAXCSIBC-NSHDSACASA-N 1 0 373.335 2.163 20 30 FEEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000424098743 559654738 /nfs/dbraw/zinc/65/47/38/559654738.db2.gz HPFUCHUEUGCATG-MRXNPFEDSA-N 1 0 355.442 2.040 20 30 FEEDRO C[C@H](CNC(=O)[C@H]([NH3+])CCCC#N)Oc1ccc(Br)cc1 ZINC000424124168 559655540 /nfs/dbraw/zinc/65/55/40/559655540.db2.gz LZOSPLQEKJJWJS-BXUZGUMPSA-N 1 0 354.248 2.354 20 30 FEEDRO C=CCn1c([C@H]2CCCS2)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC000424131155 559655567 /nfs/dbraw/zinc/65/55/67/559655567.db2.gz VYEHZHXTCCXQFK-MRXNPFEDSA-N 1 0 363.531 2.333 20 30 FEEDRO N#CCCC[C@@H]([NH3+])C(=O)Nc1ccc(C(=O)NC2CCCCC2)c(O)c1 ZINC000424183257 559656842 /nfs/dbraw/zinc/65/68/42/559656842.db2.gz BCYXIKVGICYIHG-MRXNPFEDSA-N 1 0 358.442 2.414 20 30 FEEDRO N#CCCC[C@@H]([NH3+])C(=O)N[C@@H]1COc2cc(F)c(Br)cc21 ZINC000424181347 559656997 /nfs/dbraw/zinc/65/69/97/559656997.db2.gz CAASGDHHPSJSHH-VXGBXAGGSA-N 1 0 356.195 2.159 20 30 FEEDRO C=CCC1(C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)CCOCC1 ZINC000424556355 559669265 /nfs/dbraw/zinc/66/92/65/559669265.db2.gz GPFGZHHOUDXTPX-UHFFFAOYSA-N 1 0 371.525 2.293 20 30 FEEDRO C=CCCn1cc(C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)nn1 ZINC000424643510 559672132 /nfs/dbraw/zinc/67/21/32/559672132.db2.gz LMTGEIMIRDGRAS-SFHVURJKSA-N 1 0 353.470 2.149 20 30 FEEDRO C=CCC1(C(=O)NC[C@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)CCOCC1 ZINC000424759822 559675848 /nfs/dbraw/zinc/67/58/48/559675848.db2.gz WNKSZEUSGVTHJG-MOPGFXCFSA-N 1 0 358.482 2.111 20 30 FEEDRO C[C@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000425378406 559698771 /nfs/dbraw/zinc/69/87/71/559698771.db2.gz BGZHHFXYMKHCTB-ATZDWAIDSA-N 1 0 368.481 2.020 20 30 FEEDRO C=CCn1cc(CNC(=O)NCC2CC[NH+](Cc3cccs3)CC2)nn1 ZINC000425436028 559702384 /nfs/dbraw/zinc/70/23/84/559702384.db2.gz VMPSZZNGNKHFAM-UHFFFAOYSA-N 1 0 374.514 2.237 20 30 FEEDRO C=CCn1cc(CNC(=O)NC[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)nn1 ZINC000425514745 559707234 /nfs/dbraw/zinc/70/72/34/559707234.db2.gz VHGKTHKDAISVFC-HXUWFJFHSA-N 1 0 368.485 2.318 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000425562781 559709956 /nfs/dbraw/zinc/70/99/56/559709956.db2.gz HICNQQUAIKQXFC-HAGHYFMRSA-N 1 0 355.482 2.493 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2sc(CC)nc2C)CC1 ZINC000426703856 559740531 /nfs/dbraw/zinc/74/05/31/559740531.db2.gz OCFJIHFJZPPYDT-UHFFFAOYSA-N 1 0 350.488 2.109 20 30 FEEDRO C[C@@H]([NH2+][C@H](CO)c1ccc(Br)cc1)C(=O)NC1(C#N)CCC1 ZINC000428774420 559782954 /nfs/dbraw/zinc/78/29/54/559782954.db2.gz WAZZBGSYQGWNKL-BXUZGUMPSA-N 1 0 366.259 2.023 20 30 FEEDRO C=CCc1ccccc1OC[C@H](O)C[NH2+][C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000428999106 559787907 /nfs/dbraw/zinc/78/79/07/559787907.db2.gz LKCVUXXTSSLBAE-ZHALLVOQSA-N 1 0 367.511 2.100 20 30 FEEDRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)NCC2(CC#N)CC2)CC1 ZINC000430171206 559814717 /nfs/dbraw/zinc/81/47/17/559814717.db2.gz NVYWDGUNOMGWGW-UHFFFAOYSA-N 1 0 369.513 2.317 20 30 FEEDRO CC[NH+]1CCN(Cc2ccc(CNC(=O)NCC3(CC#N)CC3)cc2)CC1 ZINC000430175380 559814868 /nfs/dbraw/zinc/81/48/68/559814868.db2.gz ZJKYPCAUZDJZQZ-UHFFFAOYSA-N 1 0 369.513 2.317 20 30 FEEDRO C[C@H]([NH2+]CC1(CC#N)CC1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430741369 559827544 /nfs/dbraw/zinc/82/75/44/559827544.db2.gz MEBXZVWLFBFRJS-JTQLQIEISA-N 1 0 372.288 2.441 20 30 FEEDRO N#CCC1(CNC(=O)NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)CC1 ZINC000430911182 559830071 /nfs/dbraw/zinc/83/00/71/559830071.db2.gz GKPBVILAIYACJV-GOSISDBHSA-N 1 0 356.470 2.136 20 30 FEEDRO COCC[N@H+](C[C@@H](O)COc1ccc(C#N)cc1)[C@@H]1CCCSC1 ZINC000433193388 559873261 /nfs/dbraw/zinc/87/32/61/559873261.db2.gz QCOYCDGUIQMXPC-IAGOWNOFSA-N 1 0 350.484 2.142 20 30 FEEDRO C[C@@H](CCN1CCOCC1)[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000433305633 559876467 /nfs/dbraw/zinc/87/64/67/559876467.db2.gz OGFSKUCNFROGNR-KRWDZBQOSA-N 1 0 368.485 2.059 20 30 FEEDRO C=CCN(CC=C)C(=O)CN(Cc1nccn1CC)[C@H]1CC12CC[NH2+]CC2 ZINC000435691962 559928151 /nfs/dbraw/zinc/92/81/51/559928151.db2.gz NMDFRXZVVSDZQA-SFHVURJKSA-N 1 0 371.529 2.048 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000435742421 559929209 /nfs/dbraw/zinc/92/92/09/559929209.db2.gz UYGLVWQXSDOFAV-KSSFIOAISA-N 1 0 364.398 2.217 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000437547595 559965865 /nfs/dbraw/zinc/96/58/65/559965865.db2.gz NEVMAQNSSCVCQO-BVBHFADKSA-N 1 0 365.518 2.035 20 30 FEEDRO N#Cc1ccc(CN2CC[NH+](C[C@@H]3CCOC3)CC2)c(OC(F)F)c1 ZINC000437648094 559967267 /nfs/dbraw/zinc/96/72/67/559967267.db2.gz FUNMMPKZSOVEBZ-HNNXBMFYSA-N 1 0 351.397 2.314 20 30 FEEDRO CCOC(=O)[C@@]1(COC)CCC[N@H+](CCC(=O)Nc2cccc(C#N)c2)C1 ZINC000439464431 559994523 /nfs/dbraw/zinc/99/45/23/559994523.db2.gz CZCRVEFIEFPMTO-FQEVSTJZSA-N 1 0 373.453 2.179 20 30 FEEDRO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1C[C@@H]2CCC[C@@]2(C(=O)OC(C)(C)C)C1 ZINC000439479078 559995232 /nfs/dbraw/zinc/99/52/32/559995232.db2.gz RDZHFAHTLQWOLY-AUSJPIAWSA-N 1 0 361.486 2.381 20 30 FEEDRO C=C(C)COc1cccc(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000439596430 559997605 /nfs/dbraw/zinc/99/76/05/559997605.db2.gz ONGPYIGLWYEQRW-KRWDZBQOSA-N 1 0 357.454 2.275 20 30 FEEDRO CCC(CC)[C@H](CNS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)[NH+](C)C ZINC000440076115 560004334 /nfs/dbraw/zinc/00/43/34/560004334.db2.gz JQRVKSKQVOSFBG-HNNXBMFYSA-N 1 0 368.459 2.111 20 30 FEEDRO C[C@H](NS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1)[C@@H]1CCC[NH2+]C1 ZINC000440359947 560009413 /nfs/dbraw/zinc/00/94/13/560009413.db2.gz QKIUOVPNXGTSCO-CMPLNLGQSA-N 1 0 361.389 2.243 20 30 FEEDRO N#C[C@@H]1CC[C@@H]([NH2+]Cc2cccc(NC(=O)CCN3CCOCC3)c2)C1 ZINC000442717992 560055121 /nfs/dbraw/zinc/05/51/21/560055121.db2.gz PMPRJTGVCITJKM-SJLPKXTDSA-N 1 0 356.470 2.129 20 30 FEEDRO CCOc1ccc(C#N)cc1NC(=O)C(=O)N(C)[C@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000443368519 560082231 /nfs/dbraw/zinc/08/22/31/560082231.db2.gz JMSWYZXUEGSDBK-HOCLYGCPSA-N 1 0 372.469 2.227 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNS(=O)(=O)c1cn2c(n1)CCCC2)C(C)C ZINC000444109816 560102009 /nfs/dbraw/zinc/10/20/09/560102009.db2.gz HOEBZRWLGRFUNB-INIZCTEOSA-N 1 0 366.531 2.196 20 30 FEEDRO COc1ccc([C@H](CNC(=O)Cc2ccc(C#N)nc2)[NH+]2CCCC2)cc1 ZINC000527669694 562299554 /nfs/dbraw/zinc/29/95/54/562299554.db2.gz KGIWISPDDYGPLC-FQEVSTJZSA-N 1 0 364.449 2.458 20 30 FEEDRO CC[NH+](CC)CCNC(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000444889976 560124041 /nfs/dbraw/zinc/12/40/41/560124041.db2.gz UHNXINZUUUJMJX-UHFFFAOYSA-N 1 0 363.893 2.385 20 30 FEEDRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)c2c(F)cc(C#N)cc2F)C1 ZINC000445923257 560136940 /nfs/dbraw/zinc/13/69/40/560136940.db2.gz BFXPFINOEBQDBI-CQSZACIVSA-N 1 0 351.397 2.409 20 30 FEEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@H](CO)[C@@H]1CCCO1 ZINC000447914904 560172874 /nfs/dbraw/zinc/17/28/74/560172874.db2.gz QEINKXNVTLZOMV-BMFZPTHFSA-N 1 0 363.483 2.006 20 30 FEEDRO C[NH+](C)[C@@H]1CCN(c2ccc(NC(=O)CNc3cccc(C#N)c3)nc2)C1 ZINC000448453504 560187407 /nfs/dbraw/zinc/18/74/07/560187407.db2.gz YZMPITIVJJKKEC-GOSISDBHSA-N 1 0 364.453 2.144 20 30 FEEDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 ZINC000448601767 560192236 /nfs/dbraw/zinc/19/22/36/560192236.db2.gz XESFSEONGHBVGX-GOEBONIOSA-N 1 0 374.872 2.165 20 30 FEEDRO CC(C)[NH+]1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1 ZINC000448669903 560193440 /nfs/dbraw/zinc/19/34/40/560193440.db2.gz IGAONOFRPADSAD-HNNXBMFYSA-N 1 0 374.872 2.117 20 30 FEEDRO CN(C(=O)COc1ccc(C#N)c(Br)c1)C1CC[NH+](C)CC1 ZINC000449039864 560213935 /nfs/dbraw/zinc/21/39/35/560213935.db2.gz DVWWYCICVJDFHE-UHFFFAOYSA-N 1 0 366.259 2.252 20 30 FEEDRO COCCNS(=O)(=O)c1cccc(C[NH2+]C2CCC(C)(C#N)CC2)c1 ZINC000449158943 560218353 /nfs/dbraw/zinc/21/83/53/560218353.db2.gz WJBYOOPFFXHQQT-UHFFFAOYSA-N 1 0 365.499 2.173 20 30 FEEDRO C=CCOc1ccc(CN2CC[NH+]([C@H]3CCNC(=O)CC3)CC2)cc1OC ZINC000449696975 560237264 /nfs/dbraw/zinc/23/72/64/560237264.db2.gz KVKLPSQJRCWVSS-GOSISDBHSA-N 1 0 373.497 2.046 20 30 FEEDRO C[NH+](C)[C@@H]1CCCN(C(=O)COc2cccc(Br)c2C#N)C1 ZINC000449833937 560241759 /nfs/dbraw/zinc/24/17/59/560241759.db2.gz JDJPXFFMZDGWSA-GFCCVEGCSA-N 1 0 366.259 2.252 20 30 FEEDRO C[C@H](CC[NH+](C)C)NC(=O)COc1cccc(Br)c1C#N ZINC000449887112 560244234 /nfs/dbraw/zinc/24/42/34/560244234.db2.gz IZULLHJRWLGEFE-LLVKDONJSA-N 1 0 354.248 2.156 20 30 FEEDRO CN(C(=O)COc1ccc(C#N)c(Br)c1)[C@@H]1CCC[N@H+](C)C1 ZINC000449943885 560246040 /nfs/dbraw/zinc/24/60/40/560246040.db2.gz DFXURPOPIXAWSU-CYBMUJFWSA-N 1 0 366.259 2.252 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000450229069 560254818 /nfs/dbraw/zinc/25/48/18/560254818.db2.gz WEAYQBIMDKFRFP-ZRNYENFQSA-N 1 0 363.546 2.373 20 30 FEEDRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)COc1ccc(C#N)c(Br)c1 ZINC000450382325 560260741 /nfs/dbraw/zinc/26/07/41/560260741.db2.gz WBVCJAZGMBTFTA-VXGBXAGGSA-N 1 0 366.259 2.251 20 30 FEEDRO C[C@@H]1[C@@H](NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CCC[N@@H+]1C ZINC000450559067 560266155 /nfs/dbraw/zinc/26/61/55/560266155.db2.gz XJUKLYHBRHYKMI-IFIJOSMWSA-N 1 0 374.872 2.163 20 30 FEEDRO CC1CC[NH+](CCNS(=O)(=O)c2ccc(CC#N)cc2Cl)CC1 ZINC000451057223 560285128 /nfs/dbraw/zinc/28/51/28/560285128.db2.gz JBCFZCVMFONICR-UHFFFAOYSA-N 1 0 355.891 2.416 20 30 FEEDRO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1ccc(CC#N)cc1Cl ZINC000451190183 560292276 /nfs/dbraw/zinc/29/22/76/560292276.db2.gz KLXDBURKOZRBBQ-GXTWGEPZSA-N 1 0 353.875 2.263 20 30 FEEDRO CC[NH+](CC)CCOCCNS(=O)(=O)c1ccc(CC#N)cc1Cl ZINC000451398725 560304441 /nfs/dbraw/zinc/30/44/41/560304441.db2.gz UJGSDMCMJWLYFF-UHFFFAOYSA-N 1 0 373.906 2.043 20 30 FEEDRO CCC[C@@H]([NH2+]CC(=O)N1CCN(c2oc(C)nc2C#N)CC1)C(C)(C)C ZINC000451443716 560307399 /nfs/dbraw/zinc/30/73/99/560307399.db2.gz ZXSDQBYDNOJEBH-MRXNPFEDSA-N 1 0 361.490 2.308 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]CCS(=O)(=O)c1ccc(Br)cc1 ZINC000451599612 560316774 /nfs/dbraw/zinc/31/67/74/560316774.db2.gz PCWHAHLIYDSYPY-KGLIPLIRSA-N 1 0 360.273 2.156 20 30 FEEDRO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000451903653 560336157 /nfs/dbraw/zinc/33/61/57/560336157.db2.gz JNULCSXGTASVIP-INMHGKMJSA-N 1 0 359.388 2.400 20 30 FEEDRO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+]1CC[C@H](CCCO)C1 ZINC000452127277 560353090 /nfs/dbraw/zinc/35/30/90/560353090.db2.gz KZXPGAAAULBHPV-SJORKVTESA-N 1 0 359.470 2.425 20 30 FEEDRO C[C@@H]1CN(C(=O)COc2ccc(C#N)c(Br)c2)C[C@H](C)[N@H+]1C ZINC000452148818 560353855 /nfs/dbraw/zinc/35/38/55/560353855.db2.gz FNVUEAYJKCXKPU-TXEJJXNPSA-N 1 0 366.259 2.251 20 30 FEEDRO C=CCNC(=O)C[NH2+][C@H](C)c1ccc(F)c(I)c1 ZINC000453183864 560384219 /nfs/dbraw/zinc/38/42/19/560384219.db2.gz OYINYOOTQHONGT-SECBINFHSA-N 1 0 362.186 2.383 20 30 FEEDRO C=CCn1c([C@@H]2CCCO2)nnc1N1CCN(c2cc[nH+]cc2OC)CC1 ZINC000453422773 560386402 /nfs/dbraw/zinc/38/64/02/560386402.db2.gz BCPBJXRZEVUKJX-INIZCTEOSA-N 1 0 370.457 2.046 20 30 FEEDRO C=CCn1c([C@H](C)OCCOC)nnc1N1CC[NH+]([C@H](C)CC)CC1 ZINC000453430565 560386461 /nfs/dbraw/zinc/38/64/61/560386461.db2.gz DKDUXLVAHGYILU-CVEARBPZSA-N 1 0 351.495 2.109 20 30 FEEDRO C=CCn1c([C@H]2CCCCO2)nnc1N1CC[N@@H+](CCOCC)[C@@H](C)C1 ZINC000453440917 560386637 /nfs/dbraw/zinc/38/66/37/560386637.db2.gz NPFXRTACKFJYGX-DLBZAZTESA-N 1 0 363.506 2.253 20 30 FEEDRO C=CCn1c([C@@H](C)OCCOC)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC000453452376 560387131 /nfs/dbraw/zinc/38/71/31/560387131.db2.gz SYHRQFRKROTLRB-MRXNPFEDSA-N 1 0 351.495 2.109 20 30 FEEDRO Cc1cc(C#N)cc(NC(=O)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000453573362 560389224 /nfs/dbraw/zinc/38/92/24/560389224.db2.gz IMEDAKWTEHWFAH-SFHVURJKSA-N 1 0 362.433 2.196 20 30 FEEDRO N#CCc1cccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000453582290 560389567 /nfs/dbraw/zinc/38/95/67/560389567.db2.gz SYLTULBQFKGIIP-LJQANCHMSA-N 1 0 362.433 2.082 20 30 FEEDRO Cc1cc(C#N)cc(NC(=O)C(=O)N2CC[NH+](CCC(C)(C)C)CC2)c1 ZINC000453619912 560391598 /nfs/dbraw/zinc/39/15/98/560391598.db2.gz LFHULQALLJNPHX-UHFFFAOYSA-N 1 0 356.470 2.386 20 30 FEEDRO CC[N@H+](CCNC(=O)C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1)C1CC1 ZINC000453648953 560393391 /nfs/dbraw/zinc/39/33/91/560393391.db2.gz UGVCUEPLDUCMIP-UHFFFAOYSA-N 1 0 372.469 2.275 20 30 FEEDRO N#CCc1cccc(NC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000453658815 560394150 /nfs/dbraw/zinc/39/41/50/560394150.db2.gz XTSFGTZWTICSTA-GOSISDBHSA-N 1 0 354.454 2.168 20 30 FEEDRO Cc1cc(C#N)cc(NC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000453674457 560395723 /nfs/dbraw/zinc/39/57/23/560395723.db2.gz RGLQQGWICVTMLM-APWZRJJASA-N 1 0 366.465 2.281 20 30 FEEDRO N#CCc1cccc(NC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000453675739 560395778 /nfs/dbraw/zinc/39/57/78/560395778.db2.gz SEIKUMWNQOKZEL-LPHOPBHVSA-N 1 0 366.465 2.166 20 30 FEEDRO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C(=O)Nc1ccc(CC#N)cc1Cl ZINC000453691154 560397112 /nfs/dbraw/zinc/39/71/12/560397112.db2.gz JEBDYFCVMHAALZ-AWEZNQCLSA-N 1 0 362.861 2.287 20 30 FEEDRO C[C@@H](NC(=O)C(=O)Nc1ccc(CC#N)cc1Cl)C1=CC[N@H+](C)CC1 ZINC000453753873 560401755 /nfs/dbraw/zinc/40/17/55/560401755.db2.gz KVTDLONBUNQOCZ-GFCCVEGCSA-N 1 0 360.845 2.111 20 30 FEEDRO C=C(C)CCNC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000453894427 560411305 /nfs/dbraw/zinc/41/13/05/560411305.db2.gz RTMGSPRCYXREFF-UHFFFAOYSA-N 1 0 353.850 2.301 20 30 FEEDRO Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NCc1ccc(C#N)c(F)c1 ZINC000454032503 560423573 /nfs/dbraw/zinc/42/35/73/560423573.db2.gz HALCUJBJJFDRQP-UHFFFAOYSA-N 1 0 368.412 2.322 20 30 FEEDRO CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)NCC[N@@H+]1CCCC1(C)C ZINC000454070959 560426748 /nfs/dbraw/zinc/42/67/48/560426748.db2.gz QOXSPVJPUOQANL-UHFFFAOYSA-N 1 0 359.474 2.044 20 30 FEEDRO C[NH+](C)CCn1nccc1NC(=O)NCCSCc1ccccc1C#N ZINC000455668696 560491286 /nfs/dbraw/zinc/49/12/86/560491286.db2.gz MGEWNXLHFFHIFM-UHFFFAOYSA-N 1 0 372.498 2.371 20 30 FEEDRO CC[C@@H]1CN(C(=O)Nc2cnc(C#N)c(Cl)c2)CC[N@@H+]1CCOC ZINC000455777962 560494663 /nfs/dbraw/zinc/49/46/63/560494663.db2.gz GEHCMXBFUMKMQN-CYBMUJFWSA-N 1 0 351.838 2.181 20 30 FEEDRO C[NH+]1CCN(c2cc(CNC(=O)Nc3cccc(CC#N)c3)ccn2)CC1 ZINC000455925289 560500427 /nfs/dbraw/zinc/50/04/27/560500427.db2.gz XKTZDICRTNZNNM-UHFFFAOYSA-N 1 0 364.453 2.221 20 30 FEEDRO C=CCC[C@@H](CO)NC(=O)NC[C@H](c1ccccc1OC)[NH+]1CCCC1 ZINC000457489241 560569975 /nfs/dbraw/zinc/56/99/75/560569975.db2.gz SNKLGKMCKKBJGA-FUHWJXTLSA-N 1 0 361.486 2.458 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC000458734778 560644611 /nfs/dbraw/zinc/64/46/11/560644611.db2.gz MTTXLPWWHMCUPO-FSGLHJGXSA-N 1 0 365.518 2.251 20 30 FEEDRO CO[C@@H]1C[C@H](NC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)C12CCC2 ZINC000459300440 560678437 /nfs/dbraw/zinc/67/84/37/560678437.db2.gz KDCSQSBDCQFHLK-RBUKOAKNSA-N 1 0 368.481 2.343 20 30 FEEDRO N#C[C@@H]1CCC[C@H]1NCC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000459444841 560686797 /nfs/dbraw/zinc/68/67/97/560686797.db2.gz BFRPCDWRBAXIIO-FUHWJXTLSA-N 1 0 358.511 2.456 20 30 FEEDRO N#C[C@@H]1CCC[C@H]1NCC(=O)N1CCN(Cc2cccc(Cl)c2)CC1 ZINC000459453928 560687313 /nfs/dbraw/zinc/68/73/13/560687313.db2.gz DHAGMKOXWNQRAL-FUHWJXTLSA-N 1 0 360.889 2.266 20 30 FEEDRO CC(C)(C)OC(=O)[C@@]1(C)CC[N@H+](CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000459581306 560695869 /nfs/dbraw/zinc/69/58/69/560695869.db2.gz KVISBJUYWVODTI-FQEVSTJZSA-N 1 0 357.454 2.228 20 30 FEEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000459863862 560714608 /nfs/dbraw/zinc/71/46/08/560714608.db2.gz PEZUMCUQRWGOJX-CYBMUJFWSA-N 1 0 369.918 2.469 20 30 FEEDRO C=CCN(Cc1ccccc1)C(=O)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000459981858 560726163 /nfs/dbraw/zinc/72/61/63/560726163.db2.gz AEANIEUOWGWVBH-UHFFFAOYSA-N 1 0 355.482 2.288 20 30 FEEDRO N#Cc1ccc([C@@H]([NH2+]C[C@H]2CCN(c3ccccc3F)C2)C(N)=O)cc1 ZINC000461061324 560760428 /nfs/dbraw/zinc/76/04/28/560760428.db2.gz GEGYABJRROEWPH-DNVCBOLYSA-N 1 0 352.413 2.340 20 30 FEEDRO COC(=O)[C@H](Nc1cccc(C[N@@H+]2CC[C@H](O)C2)c1)c1cccc(C#N)c1 ZINC000461098378 560761316 /nfs/dbraw/zinc/76/13/16/560761316.db2.gz OVFJCVBGLZARGZ-VQTJNVASSA-N 1 0 365.433 2.451 20 30 FEEDRO N#C[C@H]1CCC[C@H]1NC(=O)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000461777665 560782854 /nfs/dbraw/zinc/78/28/54/560782854.db2.gz NJIKDQOHYJQVTG-IEBWSBKVSA-N 1 0 368.481 2.462 20 30 FEEDRO N#C[C@@H]1CCC[C@H]1NC(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000461950522 560789414 /nfs/dbraw/zinc/78/94/14/560789414.db2.gz AKOPRJVFDJFZAK-PKOBYXMFSA-N 1 0 355.486 2.190 20 30 FEEDRO C[C@@H]1CN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)C[C@@H]1[NH+](C)C ZINC000465181732 560859851 /nfs/dbraw/zinc/85/98/51/560859851.db2.gz DWMHTZXCXIKYMU-ALKREAHSSA-N 1 0 373.476 2.258 20 30 FEEDRO C=CCC[N@@H+](C)CC(=O)Nc1ccc(C)c(S(=O)(=O)N(CC)CC)c1 ZINC000467288356 560907727 /nfs/dbraw/zinc/90/77/27/560907727.db2.gz NYUVWQWEFQFLRP-UHFFFAOYSA-N 1 0 367.515 2.472 20 30 FEEDRO CCOC(=O)[C@@](C)(C[NH2+][C@H](C(N)=O)c1ccc(C#N)cc1)c1ccccc1 ZINC000468778146 560938637 /nfs/dbraw/zinc/93/86/37/560938637.db2.gz AVIVARZDMRISFW-RXVVDRJESA-N 1 0 365.433 2.195 20 30 FEEDRO CC[NH+](CC)[C@H](C)CNC(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 ZINC000469902369 560968629 /nfs/dbraw/zinc/96/86/29/560968629.db2.gz QNPAPSJCJDQAHP-CYBMUJFWSA-N 1 0 358.421 2.735 20 30 FEEDRO C[N@H+](CCOc1ccc(C#N)cc1)C[C@@H]1C[C@H](F)CN1Cc1ncccn1 ZINC000470818450 560990621 /nfs/dbraw/zinc/99/06/21/560990621.db2.gz YIPLDFHWHUAAOC-ROUUACIJSA-N 1 0 369.444 2.271 20 30 FEEDRO CN(CCC#N)C(=O)CC[NH+]1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000471006088 560996243 /nfs/dbraw/zinc/99/62/43/560996243.db2.gz MNSUCPWCVDYLMG-SFHVURJKSA-N 1 0 373.888 2.284 20 30 FEEDRO Cc1cnn(CCCCC[NH+]2CCN(c3c(C#N)c(C)nn3C)CC2)c1 ZINC000472154183 561019688 /nfs/dbraw/zinc/01/96/88/561019688.db2.gz KFBBJKUAWSGZRQ-UHFFFAOYSA-N 1 0 355.490 2.098 20 30 FEEDRO CC(C)(C#N)CCC[NH+]1CCN(Cc2nnnn2-c2ccccc2)CC1 ZINC000472240465 561021718 /nfs/dbraw/zinc/02/17/18/561021718.db2.gz KBXMHKIGPRHNQA-UHFFFAOYSA-N 1 0 353.474 2.110 20 30 FEEDRO C=CCCCCNC(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000474089669 561065408 /nfs/dbraw/zinc/06/54/08/561065408.db2.gz OUZMNOXXAIYKGC-UHFFFAOYSA-N 1 0 364.534 2.366 20 30 FEEDRO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)CNC(=O)c1ccc(C#N)cc1 ZINC000474473638 561074990 /nfs/dbraw/zinc/07/49/90/561074990.db2.gz FMIIXGYKXJXTHH-OALUTQOASA-N 1 0 370.497 2.305 20 30 FEEDRO C=CCN(C(=O)C[NH+]1CCC(C)CC1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000474701209 561080822 /nfs/dbraw/zinc/08/08/22/561080822.db2.gz DFUXCWXKKMVMOI-QGZVFWFLSA-N 1 0 368.485 2.470 20 30 FEEDRO Cn1ncc(C(=O)N[C@H](C[N@@H+]2CCc3ccccc3C2)C(C)(C)C)c1C#N ZINC000474959543 561086249 /nfs/dbraw/zinc/08/62/49/561086249.db2.gz HJNCKARHPDHPTC-LJQANCHMSA-N 1 0 365.481 2.495 20 30 FEEDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cnn(C)c1C#N ZINC000476210797 561113324 /nfs/dbraw/zinc/11/33/24/561113324.db2.gz ZENWOIAZBQMUMF-KRWDZBQOSA-N 1 0 351.454 2.276 20 30 FEEDRO COc1cc(OC)cc(N2CCC[N@H+](C[C@H](O)CC3(C#N)CC3)CC2)c1 ZINC000528406033 562327411 /nfs/dbraw/zinc/32/74/11/562327411.db2.gz SANXPBRPLFIKOM-QGZVFWFLSA-N 1 0 359.470 2.271 20 30 FEEDRO N#Cc1ccccc1OC[C@@H](O)C[NH+]1CCC(CN2CCCCC2=O)CC1 ZINC000528417471 562328202 /nfs/dbraw/zinc/32/82/02/562328202.db2.gz QGGFSNFEFVKVDH-IBGZPJMESA-N 1 0 371.481 2.022 20 30 FEEDRO O=C1c2ccccc2C(=O)N1CC#CC[N@@H+]1CCOCC2(CCCC2)C1 ZINC000528456401 562330417 /nfs/dbraw/zinc/33/04/17/562330417.db2.gz FMMVCVVWABFWCZ-UHFFFAOYSA-N 1 0 352.434 2.179 20 30 FEEDRO N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCCN2c3ccccc3C[C@@H]2C1 ZINC000528504692 562332749 /nfs/dbraw/zinc/33/27/49/562332749.db2.gz NCUILZPTGQOMJW-WOJBJXKFSA-N 1 0 363.461 2.435 20 30 FEEDRO CC(C)OCCOC1CC[NH+](C[C@H](O)COc2ccccc2C#N)CC1 ZINC000528522003 562333776 /nfs/dbraw/zinc/33/37/76/562333776.db2.gz UIQAMJMUWBSGKM-SFHVURJKSA-N 1 0 362.470 2.204 20 30 FEEDRO N#Cc1cccc(NC(=O)CC[N@H+]2CC3(CCOCC3)CC[C@H]2CO)c1 ZINC000528643526 562339995 /nfs/dbraw/zinc/33/99/95/562339995.db2.gz ZFLJWZBRRKVVJE-SFHVURJKSA-N 1 0 357.454 2.140 20 30 FEEDRO CC1([NH+]2CCOCC2)CCN(C(=O)[C@H](C#N)CCc2ccccc2)CC1 ZINC000529910107 562390906 /nfs/dbraw/zinc/39/09/06/562390906.db2.gz REMZAVNWULKAQA-IBGZPJMESA-N 1 0 355.482 2.472 20 30 FEEDRO CCOC(=O)CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)Cc1cccc(C#N)c1 ZINC000530668573 562419866 /nfs/dbraw/zinc/41/98/66/562419866.db2.gz CHLBLRPCGAUFEL-IBGZPJMESA-N 1 0 371.481 2.367 20 30 FEEDRO N#Cc1cccc(CC(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)c1 ZINC000531390985 562444462 /nfs/dbraw/zinc/44/44/62/562444462.db2.gz XFHOJUNDMQHMCJ-UHFFFAOYSA-N 1 0 363.461 2.374 20 30 FEEDRO N#Cc1cccc(C2(C(=O)NC3CC[NH+](C[C@@H]4CCOC4)CC3)CC2)c1 ZINC000532521198 562480186 /nfs/dbraw/zinc/48/01/86/562480186.db2.gz LQEVSDRQNIUVPQ-KRWDZBQOSA-N 1 0 353.466 2.207 20 30 FEEDRO CC(C)(O)C[N@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)C1CCOCC1 ZINC000533022871 562495983 /nfs/dbraw/zinc/49/59/83/562495983.db2.gz QEDBXWQSTDETAG-UHFFFAOYSA-N 1 0 365.861 2.402 20 30 FEEDRO CCCCNC(=O)[C@@H]1CCCN(Cc2cccc(C(=O)OC)c2C#N)C1 ZINC000533722270 562516830 /nfs/dbraw/zinc/51/68/30/562516830.db2.gz MYZOEGDRYYXXSA-MRXNPFEDSA-N 1 0 357.454 2.473 20 30 FEEDRO N#Cc1cccc(CC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)c1 ZINC000536432779 562575427 /nfs/dbraw/zinc/57/54/27/562575427.db2.gz VFGFLAUAZDDEJX-SFTDATJTSA-N 1 0 363.461 2.100 20 30 FEEDRO C=CCCOCCCCC(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000537330288 562589730 /nfs/dbraw/zinc/58/97/30/562589730.db2.gz WPRCPEZEYSVCNN-IBGZPJMESA-N 1 0 351.535 2.378 20 30 FEEDRO CN(C(=O)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1)[C@H]1CCC[C@@H]1C#N ZINC000602065216 567923787 /nfs/dbraw/zinc/92/37/87/567923787.db2.gz CFFXGTPECIJSGG-MJGOQNOKSA-N 1 0 368.481 2.414 20 30 FEEDRO N#C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+]2C2CCCC2)CCN1Cc1ccccc1 ZINC000602099257 567926642 /nfs/dbraw/zinc/92/66/42/567926642.db2.gz ZAGPJKRHQHAKFV-UXHICEINSA-N 1 0 352.482 2.240 20 30 FEEDRO N#CC[C@@]1(O)CCN(C(=O)N[C@H]2CCCCC[N@H+](Cc3ccccc3)C2)C1 ZINC000602392509 567974955 /nfs/dbraw/zinc/97/49/55/567974955.db2.gz RHHJVGXQEUKPET-PZJWPPBQSA-N 1 0 370.497 2.491 20 30 FEEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccccc1S(=O)(=O)N(C)C ZINC000602511191 567989288 /nfs/dbraw/zinc/98/92/88/567989288.db2.gz MYEUSZXVYJKHMZ-OAHLLOKOSA-N 1 0 365.499 2.125 20 30 FEEDRO C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)N1CCc2c(CC#N)cccc2C1 ZINC000602573920 567996402 /nfs/dbraw/zinc/99/64/02/567996402.db2.gz OAEKKPXEYGREDF-NRFANRHFSA-N 1 0 362.477 2.097 20 30 FEEDRO COc1ccccc1CCNC(=O)C[NH2+][C@H](C)CC1(C#N)CCOCC1 ZINC000602645481 568003813 /nfs/dbraw/zinc/00/38/13/568003813.db2.gz JCKRITZUADIHMS-MRXNPFEDSA-N 1 0 359.470 2.042 20 30 FEEDRO N#CCCN(C(=O)C[N@@H+]1CCC[C@H](n2ccnn2)CC1)c1ccccc1 ZINC000602889441 568006750 /nfs/dbraw/zinc/00/67/50/568006750.db2.gz RILKKYOWNUPKHX-SFHVURJKSA-N 1 0 352.442 2.252 20 30 FEEDRO COc1ccc(C[C@@H](CO)C[NH2+][C@@H](C)CC2(C#N)CCOCC2)cc1O ZINC000602661551 568012560 /nfs/dbraw/zinc/01/25/60/568012560.db2.gz FBPGVTSSDDBNSA-DOTOQJQBSA-N 1 0 362.470 2.240 20 30 FEEDRO N#Cc1ccc(CN2CCN(C(=O)NCc3ccc(C[NH3+])cc3)CC2)cc1 ZINC000568507566 568051674 /nfs/dbraw/zinc/05/16/74/568051674.db2.gz AEYOQAZSNKMXHW-UHFFFAOYSA-N 1 0 363.465 2.044 20 30 FEEDRO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)n1cc(C[NH2+]C2CC2)nn1 ZINC000603194028 568072455 /nfs/dbraw/zinc/07/24/55/568072455.db2.gz DYFWHRNGVPTAHJ-ZDUSSCGKSA-N 1 0 356.405 2.177 20 30 FEEDRO CCCCNC(=O)[C@H]1CC[C@H](C)[N@H+](Cc2cnc3c(C#N)cnn3c2)C1 ZINC000568884343 568247893 /nfs/dbraw/zinc/24/78/93/568247893.db2.gz CITMJMDRVFTJCR-HOCLYGCPSA-N 1 0 354.458 2.118 20 30 FEEDRO CCCCNC(=O)[C@@H]1CCC[N@H+](C[C@@H](O)COc2ccc(CC#N)cc2)C1 ZINC000604522125 568305125 /nfs/dbraw/zinc/30/51/25/568305125.db2.gz PPCSUGZUBPJMGB-RTBURBONSA-N 1 0 373.497 2.121 20 30 FEEDRO COc1ccc(Cl)cc1CNCCS(=O)(=O)c1ccc(C#N)cn1 ZINC000569508557 568404228 /nfs/dbraw/zinc/40/42/28/568404228.db2.gz XCSYIRGKOPSIJV-UHFFFAOYSA-N 1 0 365.842 2.179 20 30 FEEDRO Cc1csc(NC(=O)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C)c1C#N ZINC000569588058 568408688 /nfs/dbraw/zinc/40/86/88/568408688.db2.gz FRTYJOVVRLYEGO-AWEZNQCLSA-N 1 0 365.503 2.142 20 30 FEEDRO C=C(C)CN(CC)C(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000637185248 568534692 /nfs/dbraw/zinc/53/46/92/568534692.db2.gz GTNCMXRALMOLOK-PKOBYXMFSA-N 1 0 357.498 2.295 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(F)c(-c3nn[nH]n3)c2)CC1 ZINC000735398672 598372405 /nfs/dbraw/zinc/37/24/05/598372405.db2.gz OCNJVCOWUHMFFB-UHFFFAOYSA-N 1 0 359.409 2.168 20 30 FEEDRO C[C@@H]([NH2+][C@H](C)c1cccc(C#N)c1)C(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000820414027 599391347 /nfs/dbraw/zinc/39/13/47/599391347.db2.gz WVIRQCHTIZZOOB-CHWSQXEVSA-N 1 0 361.409 2.416 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2ccc(C[S@](C)=O)cc2)CC1 ZINC000557838029 674469924 /nfs/dbraw/zinc/46/99/24/674469924.db2.gz BTTGNECVYJRBKW-VWLOTQADSA-N 1 0 363.527 2.405 20 30 FEEDRO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@@H](CN(C)S(C)(=O)=O)C2)cc1 ZINC000809688704 674505316 /nfs/dbraw/zinc/50/53/16/674505316.db2.gz OBQFEYJNOJAHNU-RDJZCZTQSA-N 1 0 365.499 2.081 20 30 FEEDRO N#Cc1cccc(C2([NH2+]CCC(=O)Nc3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000826386498 608530788 /nfs/dbraw/zinc/53/07/88/608530788.db2.gz HSYWORXUBZVRHN-UHFFFAOYSA-N 1 0 373.420 2.346 20 30 FEEDRO C[C@@H]1CN(C(=O)OC(C)(C)C)CCC1=NNC(=S)NCCC[NH+](C)C ZINC000811642324 674618048 /nfs/dbraw/zinc/61/80/48/674618048.db2.gz MLDBUGJNBHLXNT-CYBMUJFWSA-N 1 0 371.551 2.035 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)c2nnn(C3CC3)c2C(F)(F)F)CC1 ZINC000608586734 675895478 /nfs/dbraw/zinc/89/54/78/675895478.db2.gz OOLLHHSRENOREI-UHFFFAOYSA-N 1 0 357.380 2.402 20 30 FEEDRO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CC[C@@H](c2nnc[nH]2)C1 ZINC000563022176 674835856 /nfs/dbraw/zinc/83/58/56/674835856.db2.gz PGDMTQDXUBHQBW-WDEREUQCSA-N 1 0 356.455 2.043 20 30 FEEDRO C#CC[N@H+](C)CCCNS(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000815082800 674914135 /nfs/dbraw/zinc/91/41/35/674914135.db2.gz FYQKDDMELRZQOE-UHFFFAOYSA-N 1 0 353.246 2.366 20 30 FEEDRO C=CC[C@@H](CC)Nc1ccc(S(=O)(=O)NCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000564014257 674964316 /nfs/dbraw/zinc/96/43/16/674964316.db2.gz OJHFVIMTUMNDBU-CYBMUJFWSA-N 1 0 370.475 2.201 20 30 FEEDRO CC(C)N1CCO[C@@H](COC(=O)c2cnc(C(F)(F)F)c(C#N)c2)C1 ZINC000816016680 674997476 /nfs/dbraw/zinc/99/74/76/674997476.db2.gz XJUFMCLUKDIBSU-CYBMUJFWSA-N 1 0 357.332 2.238 20 30 FEEDRO C=C(Cl)C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCO[C@H]3c3ccncc3)C[C@H]2C1 ZINC001048826996 675015930 /nfs/dbraw/zinc/01/59/30/675015930.db2.gz QUCOLZGMTZXVCM-XDNAFOTISA-N 1 0 361.873 2.302 20 30 FEEDRO C[C@@H]([NH3+])[C@H]1CCCN(S(=O)(=O)c2cccc(Br)c2C#N)C1 ZINC000564959420 675081814 /nfs/dbraw/zinc/08/18/14/675081814.db2.gz WOZLVKWKAGUTAS-MNOVXSKESA-N 1 0 372.288 2.069 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)CC2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000073436889 670502383 /nfs/dbraw/zinc/50/23/83/670502383.db2.gz FDUPYRNQTRSTDZ-UHFFFAOYSA-N 1 0 351.491 2.400 20 30 FEEDRO C=C(Br)CNC(=O)c1ccc(N2CC[NH+](CC)CC2)cc1 ZINC000074248805 670516312 /nfs/dbraw/zinc/51/63/12/670516312.db2.gz BAOULNGJGTYBEO-UHFFFAOYSA-N 1 0 352.276 2.467 20 30 FEEDRO CN(C)Cc1cccc(C[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)c1 ZINC000570794261 670770121 /nfs/dbraw/zinc/77/01/21/670770121.db2.gz GLFQDABFGBTXJO-UHFFFAOYSA-N 1 0 357.479 2.183 20 30 FEEDRO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000106867882 670815276 /nfs/dbraw/zinc/81/52/76/670815276.db2.gz SWIFFXQZWQORQG-QWQRMKEZSA-N 1 0 352.479 2.028 20 30 FEEDRO C[C@H](C[NH2+]C[C@H](O)CN(C)CCC#N)Oc1ccc(Br)cc1 ZINC000571908782 670939462 /nfs/dbraw/zinc/93/94/62/670939462.db2.gz DLYSJAGXWOUFGU-HIFRSBDPSA-N 1 0 370.291 2.012 20 30 FEEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N(C)CCC[NH+](C)C ZINC000572221001 670974587 /nfs/dbraw/zinc/97/45/87/670974587.db2.gz HVXTUYPSXPZONB-UHFFFAOYSA-N 1 0 357.907 2.326 20 30 FEEDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)Nc1cnc(C#N)c(Cl)c1 ZINC000573419429 671120063 /nfs/dbraw/zinc/12/00/63/671120063.db2.gz NSEALUWMIJNQPG-LBPRGKRZSA-N 1 0 363.849 2.324 20 30 FEEDRO N#CCCC1CC[NH+](CC(=O)N2CCN(Cc3cccs3)CC2)CC1 ZINC000573442777 671123353 /nfs/dbraw/zinc/12/33/53/671123353.db2.gz OTHYMBSPAUIIFW-UHFFFAOYSA-N 1 0 360.527 2.408 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000574837810 671280274 /nfs/dbraw/zinc/28/02/74/671280274.db2.gz AGRDQZJWWIFLET-MOPGFXCFSA-N 1 0 364.511 2.471 20 30 FEEDRO CC(C)C[C@](C)(C[NH3+])NS(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000566215579 675194474 /nfs/dbraw/zinc/19/44/74/675194474.db2.gz AMMOZNROMVPPJX-CQSZACIVSA-N 1 0 374.304 2.363 20 30 FEEDRO CC[C@@H](CC#N)NCC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000576954513 671407002 /nfs/dbraw/zinc/40/70/02/671407002.db2.gz MHWMTKORTLGENQ-ZDUSSCGKSA-N 1 0 370.284 2.319 20 30 FEEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CCN3C[C@H]4C[NH2+]C[C@H]4C3)sc2C1 ZINC000609144213 675911778 /nfs/dbraw/zinc/91/17/78/675911778.db2.gz BMJGPRULJNAGQP-MELADBBJSA-N 1 0 358.511 2.224 20 30 FEEDRO N#CCN1CCC([NH2+]Cc2cc(Br)c3c(c2)OCCO3)CC1 ZINC000609335074 675918974 /nfs/dbraw/zinc/91/89/74/675918974.db2.gz SKMLHPZNRGNQLG-UHFFFAOYSA-N 1 0 366.259 2.298 20 30 FEEDRO N#CCCC[C@@H]([NH3+])C(=O)NCCNc1ncc(C(F)(F)F)cc1Cl ZINC000578502064 671669770 /nfs/dbraw/zinc/66/97/70/671669770.db2.gz FWOPUDLSGNWMKA-LLVKDONJSA-N 1 0 363.771 2.303 20 30 FEEDRO CCc1nnc(NC(=O)[C@@H](C)[C@H](C)[NH2+]Cc2nc(C#N)cs2)s1 ZINC000581636892 671920189 /nfs/dbraw/zinc/92/01/89/671920189.db2.gz VPPBVKIWJRKNQN-IUCAKERBSA-N 1 0 350.473 2.182 20 30 FEEDRO C#CC[N@@H+](CCc1ccc(S(N)(=O)=O)cc1)[C@H]1CCc2ccccc21 ZINC000120940168 671939407 /nfs/dbraw/zinc/93/94/07/671939407.db2.gz PGWYMWPXBNDMQM-FQEVSTJZSA-N 1 0 354.475 2.499 20 30 FEEDRO N#Cc1ccc(NC(=O)C(=O)N2CCC3(CC[NH2+]CC3)CC2)cc1Cl ZINC000581931891 671950910 /nfs/dbraw/zinc/95/09/10/671950910.db2.gz MVJHNRGUSBQMAG-UHFFFAOYSA-N 1 0 360.845 2.142 20 30 FEEDRO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NS(=O)(=O)c1cncc(C#N)c1 ZINC000582031439 671960460 /nfs/dbraw/zinc/96/04/60/671960460.db2.gz JMHZEFQYRWXOTJ-DOTOQJQBSA-N 1 0 350.488 2.132 20 30 FEEDRO C[C@@H]1CCCN(C(C)(C)C[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000582117610 671969845 /nfs/dbraw/zinc/96/98/45/671969845.db2.gz XUQXSTWYHGDCMH-MRXNPFEDSA-N 1 0 363.527 2.432 20 30 FEEDRO C=CCOc1ccccc1C[NH2+]C[C@H]1CCCCN1S(=O)(=O)N(C)C ZINC000582443593 672002151 /nfs/dbraw/zinc/00/21/51/672002151.db2.gz VVFOOLUDRRPSHI-QGZVFWFLSA-N 1 0 367.515 2.002 20 30 FEEDRO CN(C)[C@H](C[NH2+]C[C@@H](O)COc1ccc(CC#N)cc1)c1ccsc1 ZINC000582565057 672013497 /nfs/dbraw/zinc/01/34/97/672013497.db2.gz GBQQYOBHOZVGLI-IEBWSBKVSA-N 1 0 359.495 2.446 20 30 FEEDRO CCN1CCC([NH+]2CCC(C(=O)NCc3ccc(C#N)s3)CC2)CC1 ZINC000584301480 672175020 /nfs/dbraw/zinc/17/50/20/672175020.db2.gz VNJBILMRKFAUPF-UHFFFAOYSA-N 1 0 360.527 2.432 20 30 FEEDRO C[NH+]=C(NCc1nccs1)N1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000156162906 672242879 /nfs/dbraw/zinc/24/28/79/672242879.db2.gz JVCYRRLHLWOWEP-HNNXBMFYSA-N 1 0 352.504 2.269 20 30 FEEDRO O=C(NCC[NH2+]Cc1ccc(Br)c(F)c1)C1N=CC=CC1=O ZINC000158416625 672269353 /nfs/dbraw/zinc/26/93/53/672269353.db2.gz LOBFJMPXVRWEPO-CCEZHUSRSA-N 1 0 368.206 2.204 20 30 FEEDRO C[NH+]=C(NC[C@@H](c1ccco1)N(C)C)N1CCN(c2cccs2)CC1 ZINC000158904791 672274524 /nfs/dbraw/zinc/27/45/24/672274524.db2.gz FKUSDVANSNPDNX-HNNXBMFYSA-N 1 0 361.515 2.341 20 30 FEEDRO C=CCc1cc(OC)cc(C[NH+]2CCC(NS(=O)(=O)CC)CC2)c1O ZINC000164029144 672311591 /nfs/dbraw/zinc/31/15/91/672311591.db2.gz KIOSVKMHZITTES-UHFFFAOYSA-N 1 0 368.499 2.033 20 30 FEEDRO C[NH+]1CCC(C#N)(NC(=O)Cc2cc(Br)ccc2F)CC1 ZINC000610922359 676005386 /nfs/dbraw/zinc/00/53/86/676005386.db2.gz PTZFUGBWHPFHOT-UHFFFAOYSA-N 1 0 354.223 2.235 20 30 FEEDRO C[C@@H]1COCC[N@@H+]1C1CCN(C(=O)CSc2ccc(C#N)cc2)CC1 ZINC000590554415 672589181 /nfs/dbraw/zinc/58/91/81/672589181.db2.gz BPFACELYTQJIQV-OAHLLOKOSA-N 1 0 359.495 2.362 20 30 FEEDRO CN(CCC#N)C[C@H](O)C[NH+]1CC(Cc2cccc(C(F)(F)F)c2)C1 ZINC000591241518 672661225 /nfs/dbraw/zinc/66/12/25/672661225.db2.gz XNLKJFUFMFSYLN-KRWDZBQOSA-N 1 0 355.404 2.386 20 30 FEEDRO N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)NC[C@@H]2CCCC[NH2+]2)n1 ZINC000591297673 672666684 /nfs/dbraw/zinc/66/66/84/672666684.db2.gz COCGDHDUEXHRAK-AWEZNQCLSA-N 1 0 358.833 2.661 20 30 FEEDRO CN(CCC#N)C(=O)CC[N@@H+](Cc1ccccc1)C[C@@H](O)C(F)(F)F ZINC000611578269 676045388 /nfs/dbraw/zinc/04/53/88/676045388.db2.gz ZXEZVTQOLKCFTF-OAHLLOKOSA-N 1 0 357.376 2.174 20 30 FEEDRO COCC1(CNC(=O)NCc2ccc(C#N)c(Cl)c2)CC[NH2+]CC1 ZINC000591358122 672676013 /nfs/dbraw/zinc/67/60/13/672676013.db2.gz NDCDWEUEQBHGOT-UHFFFAOYSA-N 1 0 350.850 2.027 20 30 FEEDRO N#Cc1ccc(N2CCN(C(=O)NCC[C@H]3CCC[NH2+]3)CC2)c(Cl)c1 ZINC000591360584 672676167 /nfs/dbraw/zinc/67/61/67/672676167.db2.gz MCLMRWIXMYEBLR-OAHLLOKOSA-N 1 0 361.877 2.185 20 30 FEEDRO C[C@H]1CC2(CN1S(=O)(=O)c1ccc(C#N)c(Cl)c1)CC[NH2+]CC2 ZINC000591667559 672699235 /nfs/dbraw/zinc/69/92/35/672699235.db2.gz WQCKJNPTWDERPT-LBPRGKRZSA-N 1 0 353.875 2.364 20 30 FEEDRO N#CC[C@]1(O)CC[N@H+](CCC(=O)Nc2cccc(Br)c2)C1 ZINC000592152553 672764682 /nfs/dbraw/zinc/76/46/82/672764682.db2.gz ZTEMPVLWUSLMSK-HNNXBMFYSA-N 1 0 352.232 2.128 20 30 FEEDRO N#CCCC[C@@H]([NH3+])C(=O)N1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000592963306 672859634 /nfs/dbraw/zinc/85/96/34/672859634.db2.gz LCFYRAQOQZJORV-QWHCGFSZSA-N 1 0 356.348 2.101 20 30 FEEDRO CC[S@](=O)[C@@H]1CCC[C@H](NC(N[C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)=[NH+]C)C1 ZINC000261706297 672901773 /nfs/dbraw/zinc/90/17/73/672901773.db2.gz JPJPGBGGUGPHKK-PJNQPINSSA-N 1 0 369.575 2.435 20 30 FEEDRO CC[C@@]1(C)CCN(C(NCCNS(=O)(=O)c2ccc(C)s2)=[NH+]C)C1 ZINC000261711518 672902259 /nfs/dbraw/zinc/90/22/59/672902259.db2.gz HGBANHVXRKCOKO-INIZCTEOSA-N 1 0 372.560 2.032 20 30 FEEDRO C[NH+]=C(NCc1csc(-c2ccccc2)n1)N1CCO[C@H](COC)C1 ZINC000261776050 672903086 /nfs/dbraw/zinc/90/30/86/672903086.db2.gz FCWARYIFAQSZEJ-INIZCTEOSA-N 1 0 360.483 2.233 20 30 FEEDRO C[NH+]=C(NCc1nnc2n1CCC2)NC[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000261818746 672903493 /nfs/dbraw/zinc/90/34/93/672903493.db2.gz UDHLRVXRLFCOOY-VXGBXAGGSA-N 1 0 358.412 2.258 20 30 FEEDRO CC[C@@H]1CN(C(NC[C@H]2CCN(CC(F)(F)F)C2)=[NH+]C)CCS1 ZINC000261918430 672904812 /nfs/dbraw/zinc/90/48/12/672904812.db2.gz KCSSFSGPTRGHPA-CHWSQXEVSA-N 1 0 352.470 2.273 20 30 FEEDRO COc1cc(Br)c(CNC(=[NH2+])N2CCSCC2)cc1OC ZINC000261986767 672906767 /nfs/dbraw/zinc/90/67/67/672906767.db2.gz KFCCNZVFINPXJQ-UHFFFAOYSA-N 1 0 374.304 2.330 20 30 FEEDRO CC(C)CNC(=[NH2+])NCc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1 ZINC000261993761 672906928 /nfs/dbraw/zinc/90/69/28/672906928.db2.gz MYJWLRSTUKXZOE-OAHLLOKOSA-N 1 0 366.531 2.168 20 30 FEEDRO CC[NH+]=C(NCc1cnc(C)s1)N1CC(=O)N(C(C)C)C(C)(C)C1 ZINC000262026763 672907910 /nfs/dbraw/zinc/90/79/10/672907910.db2.gz WSOREAUPPFFQHT-UHFFFAOYSA-N 1 0 351.520 2.248 20 30 FEEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)Cn3cc(Cl)cn3)CC2)c1 ZINC000593349535 672912351 /nfs/dbraw/zinc/91/23/51/672912351.db2.gz QKXDKEGSPZJBAI-UHFFFAOYSA-N 1 0 357.845 2.189 20 30 FEEDRO CCc1ccc(NC(=[NH2+])NCC2CCN(S(=O)(=O)C(F)F)CC2)cc1 ZINC000262524941 672917253 /nfs/dbraw/zinc/91/72/53/672917253.db2.gz KLOGHQMNSLYYQG-UHFFFAOYSA-N 1 0 374.457 2.240 20 30 FEEDRO C[C@@](O)(CNC(=[NH2+])N1CCN(c2ccc(Cl)cc2)CC1)c1ccco1 ZINC000262528921 672917260 /nfs/dbraw/zinc/91/72/60/672917260.db2.gz MLQRXXXRQSUVEV-GOSISDBHSA-N 1 0 362.861 2.277 20 30 FEEDRO C[C@@H](CNC(=[NH2+])N1CCN(c2ncccn2)CC1)Sc1ccccc1 ZINC000262544273 672917311 /nfs/dbraw/zinc/91/73/11/672917311.db2.gz UIYYNFOFKXTJCN-HNNXBMFYSA-N 1 0 356.499 2.094 20 30 FEEDRO C[C@@H]1C[NH+]=C(NC[C@@H](c2c(F)cccc2Cl)N2CCO[C@H](C)C2)N1 ZINC000262651264 672918623 /nfs/dbraw/zinc/91/86/23/672918623.db2.gz KMXRQHJKLIXWTJ-JMSVASOKSA-N 1 0 354.857 2.178 20 30 FEEDRO C[C@@H]1C[NH+]=C(NC[C@H](c2c(F)cccc2Cl)N2CCO[C@H](C)C2)N1 ZINC000262651265 672918717 /nfs/dbraw/zinc/91/87/17/672918717.db2.gz KMXRQHJKLIXWTJ-LALPHHSUSA-N 1 0 354.857 2.178 20 30 FEEDRO Cc1cc(Br)cn2cc(CCNC3=[NH+]CCCN3C)nc12 ZINC000263196666 672929984 /nfs/dbraw/zinc/92/99/84/672929984.db2.gz WOEWLEBHVYLEPY-UHFFFAOYSA-N 1 0 350.264 2.229 20 30 FEEDRO C[NH+](C)[C@@]1(CNS(=O)(=O)c2ccc(C(C)(C)C#N)cc2)CCSC1 ZINC000593556186 672941724 /nfs/dbraw/zinc/94/17/24/672941724.db2.gz IGNWGZDTBPNPJF-QGZVFWFLSA-N 1 0 367.540 2.203 20 30 FEEDRO CCOC(=O)N1CCC(NC(=[NH2+])NCCCOC2CCCCC2)CC1 ZINC000303768949 673017198 /nfs/dbraw/zinc/01/71/98/673017198.db2.gz AQYQUUKXMVXQHO-UHFFFAOYSA-N 1 0 354.495 2.251 20 30 FEEDRO CC(C)NS(=O)(=O)Cc1ccccc1CNC(=[NH2+])N1CCC[C@H](C)C1 ZINC000303777444 673017568 /nfs/dbraw/zinc/01/75/68/673017568.db2.gz ITKIFVBDHLNIDB-HNNXBMFYSA-N 1 0 366.531 2.061 20 30 FEEDRO C[C@@H]1CCCN(C(=[NH2+])NCc2ccc(S(=O)(=O)N3CCCC3)cc2)C1 ZINC000303867910 673018004 /nfs/dbraw/zinc/01/80/04/673018004.db2.gz DCOYDMQQEIASQC-OAHLLOKOSA-N 1 0 364.515 2.018 20 30 FEEDRO CC(C)CCNC(=[NH2+])NCc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000303899920 673018706 /nfs/dbraw/zinc/01/87/06/673018706.db2.gz RVYKJPXYRXWOPT-UHFFFAOYSA-N 1 0 366.531 2.312 20 30 FEEDRO [NH2+]=C(NCCOC[C@@H]1CCCO1)NCc1ccc(OC(F)(F)F)cc1 ZINC000304752370 673020214 /nfs/dbraw/zinc/02/02/14/673020214.db2.gz KEEJIVOIAIGNAG-AWEZNQCLSA-N 1 0 361.364 2.185 20 30 FEEDRO [NH2+]=C(NCCOc1cccnc1)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000304764363 673020831 /nfs/dbraw/zinc/02/08/31/673020831.db2.gz XYMYJWVDRXRDLK-UHFFFAOYSA-N 1 0 359.861 2.251 20 30 FEEDRO Cc1ncsc1CNC(=O)N1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000328846315 673068095 /nfs/dbraw/zinc/06/80/95/673068095.db2.gz RZNYXFVEJHLAMZ-UHFFFAOYSA-N 1 0 365.547 2.356 20 30 FEEDRO N#CCCCC[C@@H]([NH3+])C(=O)N[C@@H]1CCCN(c2ccccc2Cl)C1=O ZINC000594433193 673071501 /nfs/dbraw/zinc/07/15/01/673071501.db2.gz MCXRBNOKGVCTKV-HUUCEWRRSA-N 1 0 362.861 2.363 20 30 FEEDRO COC(=O)[C@H](NC(=O)[C@@H]([NH3+])CCCCC#N)c1ccc(Cl)c(F)c1 ZINC000594443187 673072225 /nfs/dbraw/zinc/07/22/25/673072225.db2.gz NOULRQZQKDBRFJ-UONOGXRCSA-N 1 0 355.797 2.221 20 30 FEEDRO CC(C)C[C@@H](NC(=O)[C@H]([NH3+])CCCCC#N)C(=O)Nc1nccs1 ZINC000594447158 673073642 /nfs/dbraw/zinc/07/36/42/673073642.db2.gz UKSPXSDZZHEAIT-CHWSQXEVSA-N 1 0 351.476 2.024 20 30 FEEDRO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000595112599 673195184 /nfs/dbraw/zinc/19/51/84/673195184.db2.gz VQTKJWCTUDUHTC-DZGCQCFKSA-N 1 0 361.492 2.454 20 30 FEEDRO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000595242074 673213226 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20 30 FEEDRO N#Cc1ccc(NC(=O)CC[N@@H+](CCOCCO)C2CCC2)cc1Cl ZINC000595598812 673272000 /nfs/dbraw/zinc/27/20/00/673272000.db2.gz GYIHIYWCWXGUDX-UHFFFAOYSA-N 1 0 365.861 2.404 20 30 FEEDRO COC[C@@H]([NH2+]CC(=O)Nc1sc(C)c(C)c1C#N)C1CCOCC1 ZINC000595613639 673273329 /nfs/dbraw/zinc/27/33/29/673273329.db2.gz CGLSYKBLNWXMEO-OAHLLOKOSA-N 1 0 351.472 2.206 20 30 FEEDRO N#Cc1ccc(NC(=O)CC[N@@H+]2CC[C@@H]3NC(=O)CC[C@@H]3C2)cc1Cl ZINC000595744962 673288284 /nfs/dbraw/zinc/28/82/84/673288284.db2.gz WTUSOGYIMPTKSX-CJNGLKHVSA-N 1 0 360.845 2.141 20 30 FEEDRO COc1ccc(C=NNC(=S)NCCC[NH+](C)C)cc1OC(F)F ZINC000731928316 673348238 /nfs/dbraw/zinc/34/82/38/673348238.db2.gz IFIRWVBZRVFSBY-UHFFFAOYSA-N 1 0 360.430 2.046 20 30 FEEDRO CS[C@H]1CN(c2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)C[C@H]1[NH+](C)C ZINC000538096289 673421559 /nfs/dbraw/zinc/42/15/59/673421559.db2.gz IVDOJHNIJVBTTF-CVEARBPZSA-N 1 0 357.439 2.496 20 30 FEEDRO CCS(=O)(=O)C[C@H](C)[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000538218477 673427487 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COc1cc(CC[NH2+]C[C@@H](O)CC(C)(C)C#N)c([N+](=O)[O-])cc1OC ZINC000598701019 673599880 /nfs/dbraw/zinc/59/98/80/673599880.db2.gz SNYOZXFHTKFMBZ-ZDUSSCGKSA-N 1 0 351.403 2.045 20 30 FEEDRO CO[C@]1(C(F)(F)F)CCC[N@H+](C[C@H](O)COc2ccccc2C#N)C1 ZINC000599380451 673666897 /nfs/dbraw/zinc/66/68/97/673666897.db2.gz VFFSPUZLYYRBOA-GOEBONIOSA-N 1 0 358.360 2.341 20 30 FEEDRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 ZINC000599605492 673696725 /nfs/dbraw/zinc/69/67/25/673696725.db2.gz YGRVHFBNNPJBBF-UONOGXRCSA-N 1 0 358.833 2.659 20 30 FEEDRO CC(C)[C@@H](C#N)N1CC[NH+](C[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000741785900 673697722 /nfs/dbraw/zinc/69/77/22/673697722.db2.gz TUEBHBGJQQJGOD-IAGOWNOFSA-N 1 0 350.507 2.409 20 30 FEEDRO N#Cc1cc(S(N)(=O)=O)ccc1NCCCCC[NH+]1CCCCC1 ZINC000742406218 673726416 /nfs/dbraw/zinc/72/64/16/673726416.db2.gz HRRUXRRPKRCLSC-UHFFFAOYSA-N 1 0 350.488 2.274 20 30 FEEDRO C[C@@H]1C[C@H](C)CN(C(C)(C)C[NH2+]C[C@H](O)CC2(C#N)CCOCC2)C1 ZINC000600717844 673794409 /nfs/dbraw/zinc/79/44/09/673794409.db2.gz COTHZLWHDZZHKG-FGTMMUONSA-N 1 0 351.535 2.404 20 30 FEEDRO N#CC1(C[C@@H](O)C[NH2+][C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)CC1 ZINC000600732578 673795197 /nfs/dbraw/zinc/79/51/97/673795197.db2.gz SILCODDYMZSZEH-IUODEOHRSA-N 1 0 351.809 2.229 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H]2C[C@H]2c2ccc(F)cc2F)nc1 ZINC000600760512 673797369 /nfs/dbraw/zinc/79/73/69/673797369.db2.gz VAPOPKMSOVFINZ-GOEBONIOSA-N 1 0 363.389 2.151 20 30 FEEDRO Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000601377815 673851850 /nfs/dbraw/zinc/85/18/50/673851850.db2.gz GFJHVDSHJQOCOT-HNNXBMFYSA-N 1 0 365.474 2.358 20 30 FEEDRO CC1([NH+]2CCCC2)CCN(S(=O)(=O)Cc2cc(C#N)ccc2F)CC1 ZINC000601496459 673870514 /nfs/dbraw/zinc/87/05/14/673870514.db2.gz FKOJKDDBNAXMQC-UHFFFAOYSA-N 1 0 365.474 2.477 20 30 FEEDRO C=CCn1c(C)nn(CN2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c1=S ZINC000746653505 673888342 /nfs/dbraw/zinc/88/83/42/673888342.db2.gz XGKCLMYUSAWZMY-ARFHVFGLSA-N 1 0 351.520 2.050 20 30 FEEDRO CCC1([NH+](C)C)CCN(C(=O)C(=O)Nc2ccc(C#N)cc2Cl)CC1 ZINC000602066277 673901816 /nfs/dbraw/zinc/90/18/16/673901816.db2.gz OQSZDCQPFSTCBK-UHFFFAOYSA-N 1 0 362.861 2.483 20 30 FEEDRO C[NH+](C)[C@@H](CNc1ccc(C#N)cc1CS(N)(=O)=O)c1ccccc1 ZINC000603266551 673920001 /nfs/dbraw/zinc/92/00/01/673920001.db2.gz CSFZHMTTZSFHCX-SFHVURJKSA-N 1 0 358.467 2.062 20 30 FEEDRO N#Cc1cc(N2CCC[N@H+](C[C@H]3CCCO3)CC2)ncc1Br ZINC000603270125 673920518 /nfs/dbraw/zinc/92/05/18/673920518.db2.gz CNDFMKUJCRCWOR-CQSZACIVSA-N 1 0 365.275 2.407 20 30 FEEDRO C[NH+](C)CCN1CCC(Nc2cc(C#N)c(Br)cn2)CC1 ZINC000603276436 673920932 /nfs/dbraw/zinc/92/09/32/673920932.db2.gz VNPILPBCFBVYDO-UHFFFAOYSA-N 1 0 352.280 2.154 20 30 FEEDRO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CC[C@H](OC(F)F)C2)c(OC)c1 ZINC000549077837 674015133 /nfs/dbraw/zinc/01/51/33/674015133.db2.gz TZZLLVXLDXEZSD-CABCVRRESA-N 1 0 357.397 2.477 20 30 FEEDRO C#CC[N@@H+](C)CCCNC(=O)CCc1ccc(OC)c(Br)c1 ZINC000818593124 675226724 /nfs/dbraw/zinc/22/67/24/675226724.db2.gz NAVPSECRIQHENB-UHFFFAOYSA-N 1 0 367.287 2.462 20 30 FEEDRO N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)N2CCC[C@H](C[NH3+])C2)n1 ZINC000566608785 675228132 /nfs/dbraw/zinc/22/81/32/675228132.db2.gz PQJZNDBWAAIDEQ-GFCCVEGCSA-N 1 0 358.833 2.600 20 30 FEEDRO C#CC[N@@H+](C)CCCNC(=O)[C@H]1C[C@H](C)CCN1C(=O)OC(C)(C)C ZINC000818609393 675228491 /nfs/dbraw/zinc/22/84/91/675228491.db2.gz SQPXIBDHHABHDC-HZPDHXFCSA-N 1 0 351.491 2.093 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+]CC[C@H]2CCc3ccccc32)nc1 ZINC000566614879 675228949 /nfs/dbraw/zinc/22/89/49/675228949.db2.gz CCCCDCLFUSLLGV-QGZVFWFLSA-N 1 0 355.463 2.437 20 30 FEEDRO O=C(NCC[NH2+]C[C@H](O)c1ccc(Cl)cc1Cl)C1N=CC=CC1=O ZINC000819049621 675255554 /nfs/dbraw/zinc/25/55/54/675255554.db2.gz MFOBWPLDLUPBTG-DQHOPXMZSA-N 1 0 370.236 2.143 20 30 FEEDRO CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)NCC[NH+]1CCCCC1 ZINC000819106832 675260879 /nfs/dbraw/zinc/26/08/79/675260879.db2.gz BHJXYBCOHKWTAE-OAHLLOKOSA-N 1 0 352.479 2.176 20 30 FEEDRO C#CCNC(=O)CC[NH2+][C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000819154099 675264867 /nfs/dbraw/zinc/26/48/67/675264867.db2.gz NVCZFVNERZJQOB-GFCCVEGCSA-N 1 0 374.794 2.062 20 30 FEEDRO C=CC[C@@H](CO)CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC000567298664 675282338 /nfs/dbraw/zinc/28/23/38/675282338.db2.gz KUFQYHZKGNQIIR-SJORKVTESA-N 1 0 352.425 2.445 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)[C@H](O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000820197164 675342783 /nfs/dbraw/zinc/34/27/83/675342783.db2.gz LAFHAFRHXKSUHC-MRXNPFEDSA-N 1 0 354.372 2.343 20 30 FEEDRO C#CCC[NH+]1CCN(Cc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000822785317 675506562 /nfs/dbraw/zinc/50/65/62/675506562.db2.gz NOYBHZZPRBNKRS-UHFFFAOYSA-N 1 0 352.232 2.498 20 30 FEEDRO CON=C(C(=O)N(CC[NH+]1CCCCCC1)C(C)C)c1csc(N)n1 ZINC000822922281 675516581 /nfs/dbraw/zinc/51/65/81/675516581.db2.gz MAJHUNSPRCSKDA-UHFFFAOYSA-N 1 0 367.519 2.189 20 30 FEEDRO C=CCNC(=O)C[N@H+]1CC2(C[C@H]1C)CCN(C(=O)OC(C)(C)C)CC2 ZINC000823642224 675564774 /nfs/dbraw/zinc/56/47/74/675564774.db2.gz BRISKHSQBFHYBJ-OAHLLOKOSA-N 1 0 351.491 2.400 20 30 FEEDRO C[NH+](C)CCC[C@@H]1CN(c2cc(C#N)c(Br)cn2)CCO1 ZINC000603410388 675798090 /nfs/dbraw/zinc/79/80/90/675798090.db2.gz AZDDNLGYUYYMCW-CYBMUJFWSA-N 1 0 353.264 2.263 20 30 FEEDRO CC(C)(CO)[NH+]1CCN(Cc2cc(C#N)ccc2Br)CC1 ZINC000617212555 676274991 /nfs/dbraw/zinc/27/49/91/676274991.db2.gz DNLRSDWOOLMFGC-UHFFFAOYSA-N 1 0 352.276 2.209 20 30 FEEDRO C[NH+](C)CCOc1ccc(NS(=O)(=O)c2cccc(CC#N)c2)cc1 ZINC000619463763 676377770 /nfs/dbraw/zinc/37/77/70/676377770.db2.gz ZQNFRRRJLBYPOJ-UHFFFAOYSA-N 1 0 359.451 2.494 20 30 FEEDRO C=CCCOCC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000677290198 679674451 /nfs/dbraw/zinc/67/44/51/679674451.db2.gz IKAZLAGQQFEBBV-RTBURBONSA-N 1 0 351.535 2.375 20 30 FEEDRO C=C(C[NH+](C)C)C(=O)Nc1ccc2nc(N3CCN(C)CC3)sc2c1 ZINC000830252837 677032199 /nfs/dbraw/zinc/03/21/99/677032199.db2.gz HTGCUFZBEKLTJC-UHFFFAOYSA-N 1 0 359.499 2.104 20 30 FEEDRO C=CCNC(=O)CNC(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000650416034 677372142 /nfs/dbraw/zinc/37/21/42/677372142.db2.gz QYUWFXXGWDNVDT-UHFFFAOYSA-N 1 0 362.499 2.298 20 30 FEEDRO C=CCCCS(=O)(=O)N1CCO[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]21 ZINC000651840930 677455927 /nfs/dbraw/zinc/45/59/27/677455927.db2.gz BEYKDVMIYWFHCP-RTBURBONSA-N 1 0 364.511 2.258 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)N(Cc1cccs1)[C@@H]1C=C[C@H](CO)C1 ZINC000838622242 680706514 /nfs/dbraw/zinc/70/65/14/680706514.db2.gz RPCKUFNSWSSTIA-DLBZAZTESA-N 1 0 361.511 2.152 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cccc(F)c2SC)CC1 ZINC000657681324 678025588 /nfs/dbraw/zinc/02/55/88/678025588.db2.gz POCDKVKDADMZKX-UHFFFAOYSA-N 1 0 351.447 2.253 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CCC[C@](CO)(OC)C1 ZINC000661392681 678475646 /nfs/dbraw/zinc/47/56/46/678475646.db2.gz XLHJTXUMZONNAL-QAPCUYQASA-N 1 0 352.500 2.125 20 30 FEEDRO C=CC[C@]1(C(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)CCC[NH2+]1 ZINC000662433424 678620222 /nfs/dbraw/zinc/62/02/22/678620222.db2.gz FWKIVDSKDJRSJX-GOSISDBHSA-N 1 0 363.483 2.108 20 30 FEEDRO C=CCn1c(CC[NH+]2CCCCC2)nn(CN2CC[C@@H]2COC)c1=S ZINC000840083978 680797013 /nfs/dbraw/zinc/79/70/13/680797013.db2.gz SEMVLGFFJGPAMR-MRXNPFEDSA-N 1 0 365.547 2.307 20 30 FEEDRO CC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2)CC(=O)NC ZINC000764204239 680802611 /nfs/dbraw/zinc/80/26/11/680802611.db2.gz OMJIHZXVNSJSHN-LBPRGKRZSA-N 1 0 362.499 2.141 20 30 FEEDRO C=CCC1(NC(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)CCCC1 ZINC000664051582 678826257 /nfs/dbraw/zinc/82/62/57/678826257.db2.gz PLYXSZYURKKGDR-UHFFFAOYSA-N 1 0 350.507 2.117 20 30 FEEDRO C=CCNC(=S)C(C(=O)c1oc(C)nc1C)[n+]1ccc(N(C)C)cc1 ZINC000764416215 680808203 /nfs/dbraw/zinc/80/82/03/680808203.db2.gz JWOKGIUSZNOPAJ-UHFFFAOYSA-O 1 0 359.475 2.112 20 30 FEEDRO C#CCOc1ccc(Br)cc1C[NH2+][C@@H]1CCC[C@H]1C(=O)NC ZINC000765794105 680855428 /nfs/dbraw/zinc/85/54/28/680855428.db2.gz AILGZXIRLXFXMB-HUUCEWRRSA-N 1 0 365.271 2.465 20 30 FEEDRO Cc1cc(Sc2ncccn2)ccc1NC(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000841097268 680863096 /nfs/dbraw/zinc/86/30/96/680863096.db2.gz IAEVUXWTJSLHSU-IUODEOHRSA-N 1 0 354.439 2.169 20 30 FEEDRO C#CCN(CC(=O)NC1CCC(C[NH+](C)C)CC1)C(=O)OC(C)(C)C ZINC000830877782 679892941 /nfs/dbraw/zinc/89/29/41/679892941.db2.gz MXMZMHJHRHKAAT-UHFFFAOYSA-N 1 0 351.491 2.093 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCC2CCOCC2)CC1(C)C ZINC000975052599 680008592 /nfs/dbraw/zinc/00/85/92/680008592.db2.gz BFFNWLPXNLCHFJ-FGTMMUONSA-N 1 0 350.503 2.221 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCc2csc(C)n2)CC1(C)C ZINC000975064268 680011281 /nfs/dbraw/zinc/01/12/81/680011281.db2.gz MPVDTXVRHZHQDU-IXDOHACOSA-N 1 0 363.527 2.412 20 30 FEEDRO C=C(Cl)C(C)(C)C(=O)N1CC[C@@H]2CN(C(=O)C[N@H+]3CCC[C@@H]3C)[C@@H]2C1 ZINC000975212410 680021996 /nfs/dbraw/zinc/02/19/96/680021996.db2.gz OSQTYLYBGRYEFB-NUEKZKHPSA-N 1 0 367.921 2.309 20 30 FEEDRO C=C(C)[C@@H](CO)[N@@H+]1C[C@H](CNC(=O)OC(C)(C)C)C2(C1)CCOCC2 ZINC000832031416 680079015 /nfs/dbraw/zinc/07/90/15/680079015.db2.gz ZTIUUOFPCBWKBV-JKSUJKDBSA-N 1 0 354.491 2.177 20 30 FEEDRO C=C(Cl)C(C)(C)C(=O)N1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)[C@@H]2C1 ZINC001022423459 680213810 /nfs/dbraw/zinc/21/38/10/680213810.db2.gz APFDSQKMLTUBDW-HRCADAONSA-N 1 0 367.921 2.309 20 30 FEEDRO Cc1cc(Br)ccc1SCC(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000834493162 680234394 /nfs/dbraw/zinc/23/43/94/680234394.db2.gz BFOHTIXLEHGBFF-ZYHUDNBSSA-N 1 0 354.273 2.077 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cc(O)ccc2Cl)C1 ZINC001022737096 680234455 /nfs/dbraw/zinc/23/44/55/680234455.db2.gz OJUMLZBLIXZHBP-CXUGXGMPSA-N 1 0 350.846 2.374 20 30 FEEDRO CC(C)Oc1cc(Br)ccc1C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000834493329 680234608 /nfs/dbraw/zinc/23/46/08/680234608.db2.gz CYHVDCMVTKIZDF-GWCFXTLKSA-N 1 0 352.232 2.078 20 30 FEEDRO C=C(Br)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2cccnc2)C1 ZINC001022751909 680235200 /nfs/dbraw/zinc/23/52/00/680235200.db2.gz FDFADLTUMRLIAM-LJISPDSOSA-N 1 0 350.260 2.331 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000874192870 685321323 /nfs/dbraw/zinc/32/13/23/685321323.db2.gz YYMSXZCUIVMLIA-HNNXBMFYSA-N 1 0 357.376 2.433 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[N@H+](CC[C@H]2CCOC2)CC1 ZINC000982135029 680270444 /nfs/dbraw/zinc/27/04/44/680270444.db2.gz NYLNZFBPFBMMDZ-FHWLQOOXSA-N 1 0 350.503 2.319 20 30 FEEDRO C=C(C)CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F ZINC001024508335 680294624 /nfs/dbraw/zinc/29/46/24/680294624.db2.gz IGVUASGJAHEQED-KFWWJZLASA-N 1 0 364.408 2.270 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2snnc2C)C(C)(C)C1 ZINC000995831729 680305610 /nfs/dbraw/zinc/30/56/10/680305610.db2.gz LBLRMEPQVWKTRX-IJEWVQPXSA-N 1 0 364.515 2.154 20 30 FEEDRO N#Cc1ccc(C[NH2+]C2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]cn3)CC2)s1 ZINC000996683604 680338487 /nfs/dbraw/zinc/33/84/87/680338487.db2.gz FLBVVJFNCWOOPU-HZPDHXFCSA-N 1 0 355.467 2.227 20 30 FEEDRO C=C(Cl)C[NH2+]C1CCC(NC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)CC1 ZINC001026515351 680346190 /nfs/dbraw/zinc/34/61/90/680346190.db2.gz PXTRBNPDFKXKTK-TUUUFIMRSA-N 1 0 370.799 2.102 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(C[NH2+][C@H](C)c2nnc(C)s2)CC1 ZINC000998094654 680375023 /nfs/dbraw/zinc/37/50/23/680375023.db2.gz LZEAHSKQNUFUFS-WQVCFCJDSA-N 1 0 364.515 2.327 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(C[NH2+]CC2CC(OCC)C2)CC1 ZINC000998094167 680375278 /nfs/dbraw/zinc/37/52/78/680375278.db2.gz HBZWFHCRDPEVEY-GMNCBBECSA-N 1 0 350.503 2.221 20 30 FEEDRO C[C@H]1CCC[N@H+](CCCCNc2cccc(S(N)(=O)=O)c2C#N)C1 ZINC000754981438 680391675 /nfs/dbraw/zinc/39/16/75/680391675.db2.gz YILGJVLSQPTCJM-AWEZNQCLSA-N 1 0 350.488 2.130 20 30 FEEDRO CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@@H]1CCN(Cc2ccc(C#N)s2)C1 ZINC001033834659 680425079 /nfs/dbraw/zinc/42/50/79/680425079.db2.gz SDHGUWGZQKHGDQ-IIDMSEBBSA-N 1 0 360.527 2.383 20 30 FEEDRO C#CC[N@H+]1CCC[C@H]1COC(=O)[C@@H](c1ccccc1)N1CCSCC1 ZINC000755664980 680427362 /nfs/dbraw/zinc/42/73/62/680427362.db2.gz ZLEZEZJVLHNWAI-RBUKOAKNSA-N 1 0 358.507 2.417 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)NCc1cc(F)cc(Br)c1 ZINC000836231120 680438617 /nfs/dbraw/zinc/43/86/17/680438617.db2.gz VLLYYDZVZNQBJX-UHFFFAOYSA-N 1 0 356.239 2.343 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)NCCc1ccc(Br)cc1F ZINC000836290375 680445895 /nfs/dbraw/zinc/44/58/95/680445895.db2.gz YPZZWLMLKCDEHV-UHFFFAOYSA-N 1 0 370.266 2.385 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)NCC1=CC[N@H+](CCc2csc(C)n2)CC1 ZINC001001162820 680452671 /nfs/dbraw/zinc/45/26/71/680452671.db2.gz IIIRMKOFKCVFEU-MSOLQXFVSA-N 1 0 361.511 2.333 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)NCC1CC[NH+](CC[C@@H]2CCOC2)CC1 ZINC001001412481 680460890 /nfs/dbraw/zinc/46/08/90/680460890.db2.gz BAHCVDIGMQIMPB-QRVBRYPASA-N 1 0 350.503 2.222 20 30 FEEDRO C[C@@H]1[C@H](C(=O)N2CC[C@H](Nc3nc(Cl)c(C#N)s3)[C@@H]2C)CC[N@@H+]1C ZINC001040274061 680470373 /nfs/dbraw/zinc/47/03/73/680470373.db2.gz IUEHIQMJPJMHRS-KXNHARMFSA-N 1 0 367.906 2.410 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)N1CCc2ccc(Br)cc2C1 ZINC000836490396 680476479 /nfs/dbraw/zinc/47/64/79/680476479.db2.gz YTIXSOJGPOOUSR-UHFFFAOYSA-N 1 0 364.287 2.472 20 30 FEEDRO C#CC[N@H+]1CCC[C@@H]1COC(=O)[C@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000756545465 680484299 /nfs/dbraw/zinc/48/42/99/680484299.db2.gz YBUVVCCLMVVTGK-LSDHHAIUSA-N 1 0 360.841 2.334 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1CC[NH+](CC[C@@H]2CCOC2)CC1 ZINC001003763067 680541136 /nfs/dbraw/zinc/54/11/36/680541136.db2.gz KCSKHAITVFONKY-NEWSRXKRSA-N 1 0 350.503 2.365 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1CC[NH+](CC[C@H]2CCOC2)CC1 ZINC001003763068 680541236 /nfs/dbraw/zinc/54/12/36/680541236.db2.gz KCSKHAITVFONKY-WDSOQIARSA-N 1 0 350.503 2.365 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1C[NH+](C[C@@H](OC)C2CCCC2)C1 ZINC001042743017 680541372 /nfs/dbraw/zinc/54/13/72/680541372.db2.gz CYFMPMAEMPATBH-CEXWTWQISA-N 1 0 350.503 2.315 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1CC[NH+](CC[C@H]2CCCO2)CC1 ZINC001005408542 680574568 /nfs/dbraw/zinc/57/45/68/680574568.db2.gz BOWMKGKAKDPWST-QRVBRYPASA-N 1 0 350.503 2.460 20 30 FEEDRO C=C(Br)CN1CCC(N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001005411473 680574605 /nfs/dbraw/zinc/57/46/05/680574605.db2.gz CBNQYDQPHBSQPZ-UKRRQHHQSA-N 1 0 358.324 2.158 20 30 FEEDRO CC[C@@H](C(=O)N1CC[C@H]2CCN(c3snc(C)c3C#N)[C@H]2C1)[NH+](C)C ZINC001045073736 680621060 /nfs/dbraw/zinc/62/10/60/680621060.db2.gz SDRKQJGZPFDRDE-BPUTZDHNSA-N 1 0 361.515 2.091 20 30 FEEDRO C#CCNC(=S)C(C(=O)c1ccc(F)cc1)[n+]1ccc(N(C)C)cc1 ZINC000759048632 680623248 /nfs/dbraw/zinc/62/32/48/680623248.db2.gz GDHPQTFUGODDAA-UHFFFAOYSA-O 1 0 356.446 2.093 20 30 FEEDRO C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CC[C@@H](Nc3ncc(C#N)cc3Cl)C2)C1 ZINC001047310843 680660125 /nfs/dbraw/zinc/66/01/25/680660125.db2.gz XWAFZBMDOMAVSK-NWANDNLSSA-N 1 0 361.877 2.255 20 30 FEEDRO CCOC(=O)c1cc2cc(NC(=O)N[C@H]3C[NH2+]C[C@@H]3C#N)ccc2s1 ZINC000841161956 680866898 /nfs/dbraw/zinc/86/68/98/680866898.db2.gz RJWQPCCTVMWLFV-AAEUAGOBSA-N 1 0 358.423 2.311 20 30 FEEDRO CCOc1cc(Br)c(F)cc1NC(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000841246202 680870870 /nfs/dbraw/zinc/87/08/70/680870870.db2.gz AJVWMTAUDJMDAY-PRHODGIISA-N 1 0 371.210 2.220 20 30 FEEDRO CS[C@@H]1CN(C(=O)Nc2cc(C)c(N(C)C)cc2C#N)C[C@H]1[NH+](C)C ZINC000841713505 680908842 /nfs/dbraw/zinc/90/88/42/680908842.db2.gz OZFKEPKVTBICIG-IAGOWNOFSA-N 1 0 361.515 2.442 20 30 FEEDRO CCCC[C@H](ON=C(C)C)C(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000768129243 680938687 /nfs/dbraw/zinc/93/86/87/680938687.db2.gz YLKOEZGFZXTOOH-SFHVURJKSA-N 1 0 354.539 2.442 20 30 FEEDRO C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCCCCCC[NH3+])cc1 ZINC000843038868 680984417 /nfs/dbraw/zinc/98/44/17/680984417.db2.gz OEVLBHIVAGYIMB-UHFFFAOYSA-N 1 0 368.503 2.134 20 30 FEEDRO N#CCc1ccc(OC[C@@H](O)C[NH2+]C[C@H](O)c2ccccc2Cl)cc1 ZINC000843061474 680985006 /nfs/dbraw/zinc/98/50/06/680985006.db2.gz ALYXRQIZUCSFRW-KXBFYZLASA-N 1 0 360.841 2.469 20 30 FEEDRO C[C@@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)[C@@H](O)c1ccc(F)cc1 ZINC000843073453 680986026 /nfs/dbraw/zinc/98/60/26/680986026.db2.gz IESWTGCBUKVBBF-FZKQIMNGSA-N 1 0 362.426 2.183 20 30 FEEDRO CC[NH+](CC)CC#C[C@@H](C)OC(=O)CCn1cnc2sccc2c1=O ZINC000770803911 681027856 /nfs/dbraw/zinc/02/78/56/681027856.db2.gz WUACBTRKXSLZRM-CQSZACIVSA-N 1 0 361.467 2.125 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[C@H](C[NH2+]Cc2cnsn2)CC1 ZINC001050329911 681045478 /nfs/dbraw/zinc/04/54/78/681045478.db2.gz VKHAHRXQCDBUIN-SRABZTEZSA-N 1 0 364.515 2.284 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC2(C1)CC[NH+](C[C@@H](CC)OC)CC2 ZINC001050522953 681049319 /nfs/dbraw/zinc/04/93/19/681049319.db2.gz KBMSKVMFQGABFS-KURKYZTESA-N 1 0 350.503 2.317 20 30 FEEDRO C[C@@H]1[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)CCN1c1nc(Cl)c(C#N)s1 ZINC001051014733 681059832 /nfs/dbraw/zinc/05/98/32/681059832.db2.gz CMKUMUMXZRQSAM-TUAOUCFPSA-N 1 0 367.906 2.093 20 30 FEEDRO N#Cc1ccc(C[NH2+]C[C@H]2CN(C(=O)C[C@@H]3C[C@H]3C3CC3)CCO2)s1 ZINC001051723038 681068849 /nfs/dbraw/zinc/06/88/49/681068849.db2.gz BHFZWEJRJVXIGW-MPGHIAIKSA-N 1 0 359.495 2.373 20 30 FEEDRO C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)CC1 ZINC001052493130 681079984 /nfs/dbraw/zinc/07/99/84/681079984.db2.gz OGJWNBQZAXDHHZ-KFWWJZLASA-N 1 0 364.408 2.270 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)OCC(=O)Nc2ncc(Cl)cc2Cl)CC1 ZINC000772115080 681086502 /nfs/dbraw/zinc/08/65/02/681086502.db2.gz VJVKSUFFTHVWDC-UHFFFAOYSA-N 1 0 370.236 2.215 20 30 FEEDRO C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1CNc1nc(C#N)c(Cl)s1 ZINC001054410278 681107434 /nfs/dbraw/zinc/10/74/34/681107434.db2.gz UBSIBPZJXKBJIQ-IJLUTSLNSA-N 1 0 367.906 2.126 20 30 FEEDRO C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(C#N)CCCCC1 ZINC000845359368 681120961 /nfs/dbraw/zinc/12/09/61/681120961.db2.gz NRNXLXGUWAHLBG-AWEZNQCLSA-N 1 0 352.479 2.174 20 30 FEEDRO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCN(c3snc(Cl)c3C#N)C2)CC[N@@H+]1C ZINC001058573073 681172848 /nfs/dbraw/zinc/17/28/48/681172848.db2.gz BIPJLCMVUDBPDA-NTZNESFSSA-N 1 0 367.906 2.093 20 30 FEEDRO 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2.219 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)NC1CC2(C1)CC([NH2+]Cc1cnns1)C2 ZINC000963815124 682147307 /nfs/dbraw/zinc/14/73/07/682147307.db2.gz DEBOBXKPBGACKA-WKGBCYBTSA-N 1 0 362.499 2.036 20 30 FEEDRO CC(C)[C@@](C)(CNC(=O)OC(C)(C)C)[NH2+]CC(=O)NC1(C#N)CCC1 ZINC000784339009 682217965 /nfs/dbraw/zinc/21/79/65/682217965.db2.gz DVNZXZMYTZWHTI-QGZVFWFLSA-N 1 0 352.479 2.078 20 30 FEEDRO C#CCOCCNC(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000784399827 682222919 /nfs/dbraw/zinc/22/29/19/682222919.db2.gz DRWUIJBGFUCULR-PBHICJAKSA-N 1 0 367.852 2.421 20 30 FEEDRO C#CCOCC[N@@H+]1C[C@@H](c2ccc(Br)cc2)[C@H](C(=O)OC)C1 ZINC000852190001 682236594 /nfs/dbraw/zinc/23/65/94/682236594.db2.gz GARRWWCDZNNFJN-JKSUJKDBSA-N 1 0 366.255 2.287 20 30 FEEDRO C=C(Br)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccncc2)C1 ZINC000968731545 682243255 /nfs/dbraw/zinc/24/32/55/682243255.db2.gz VBRMJDLUJDMKRG-QLFBSQMISA-N 1 0 350.260 2.284 20 30 FEEDRO C#C[C@@H]([NH2+]C[C@@H](O)COc1cccc(C(F)(F)F)c1)C1CCOCC1 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30 FEEDRO Cc1ccc(S(=O)(=O)N[C@H](CC[NH+](C)C)c2cccnc2)c(C#N)c1 ZINC000921478945 683480817 /nfs/dbraw/zinc/48/08/17/683480817.db2.gz XVQLCTWXAOMDJL-QGZVFWFLSA-N 1 0 358.467 2.233 20 30 FEEDRO C[NH+](C)CC[C@@H](NS(=O)(=O)Cc1cccc(C#N)c1)c1cccnc1 ZINC000921482692 683482319 /nfs/dbraw/zinc/48/23/19/683482319.db2.gz SRCUFQQWKJWHJP-GOSISDBHSA-N 1 0 358.467 2.066 20 30 FEEDRO C#C[C@H](CO)NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccs1 ZINC000861884254 683492641 /nfs/dbraw/zinc/49/26/41/683492641.db2.gz KOJDJVZPFJHCGH-KZNAEPCWSA-N 1 0 354.475 2.074 20 30 FEEDRO C#CC[C@H](CO)NC(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000921701730 683548992 /nfs/dbraw/zinc/54/89/92/683548992.db2.gz BNPWCLWIWIDMNX-VBQJREDUSA-N 1 0 367.852 2.155 20 30 FEEDRO C=CC1(CC(=O)NC2CC[NH+](CC)CC2)CN(C(=O)OC(C)(C)C)C1 ZINC000929460744 683598867 /nfs/dbraw/zinc/59/88/67/683598867.db2.gz VLRNWWXRZKHXCT-UHFFFAOYSA-N 1 0 351.491 2.400 20 30 FEEDRO N#Cc1ccc(Br)c(C[NH2+]CC[C@H]2CCCS2(=O)=O)c1 ZINC000922333503 683699907 /nfs/dbraw/zinc/69/99/07/683699907.db2.gz PABMLWBAUOKKGS-CYBMUJFWSA-N 1 0 357.273 2.378 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)Nc2ccc(C)nc2Br)CC1 ZINC000930463529 683737765 /nfs/dbraw/zinc/73/77/65/683737765.db2.gz ZLUVGVSHMKPONZ-UHFFFAOYSA-N 1 0 351.248 2.372 20 30 FEEDRO Cc1cn2c(nc(C[N@H+](C)C[C@H](O)c3cccc(C#N)c3)cc2=O)s1 ZINC000930844534 683791912 /nfs/dbraw/zinc/79/19/12/683791912.db2.gz CSOBMAKRGYQKOE-INIZCTEOSA-N 1 0 354.435 2.102 20 30 FEEDRO C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000865007110 683922123 /nfs/dbraw/zinc/92/21/23/683922123.db2.gz NACYAZOKESTFCR-TZMCWYRMSA-N 1 0 357.882 2.375 20 30 FEEDRO N#Cc1cccc(Br)c1NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000865965973 684053803 /nfs/dbraw/zinc/05/38/03/684053803.db2.gz RVIVRCDGEWHNGU-ZDUSSCGKSA-N 1 0 351.248 2.072 20 30 FEEDRO N#Cc1cc(S(N)(=O)=O)ccc1NC[C@@H]1CC[N@@H+]1C1CCCCCC1 ZINC000866192631 684081825 /nfs/dbraw/zinc/08/18/25/684081825.db2.gz LLYLBDPVCBHDAM-INIZCTEOSA-N 1 0 362.499 2.415 20 30 FEEDRO N#Cc1cc(S(N)(=O)=O)ccc1NC[C@H]1CC[N@@H+]1C1CCCCCC1 ZINC000866192632 684081922 /nfs/dbraw/zinc/08/19/22/684081922.db2.gz LLYLBDPVCBHDAM-MRXNPFEDSA-N 1 0 362.499 2.415 20 30 FEEDRO C[C@@H]([NH2+]C1CCN(c2ccccc2C#N)CC1)C1CCS(=O)(=O)CC1 ZINC000866448224 684106008 /nfs/dbraw/zinc/10/60/08/684106008.db2.gz BQCYAKUKQZAFAN-OAHLLOKOSA-N 1 0 361.511 2.330 20 30 FEEDRO N#Cc1sc(NC(=O)N[C@H]2CCC[N@@H+]3CCSC[C@@H]23)nc1Cl ZINC000931725151 684337548 /nfs/dbraw/zinc/33/75/48/684337548.db2.gz SQVCBAOTOFJCEI-IUCAKERBSA-N 1 0 357.892 2.369 20 30 FEEDRO N#Cc1sc(NC(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)nc1Cl ZINC000931725149 684337609 /nfs/dbraw/zinc/33/76/09/684337609.db2.gz SQVCBAOTOFJCEI-BDAKNGLRSA-N 1 0 357.892 2.369 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)Nc2nn(CC(F)(F)F)cc2Cl)CC1 ZINC000931800901 684350660 /nfs/dbraw/zinc/35/06/60/684350660.db2.gz ZEAKNGIHYDDHPN-UHFFFAOYSA-N 1 0 363.771 2.318 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)NCc2nc(-c3ccncc3)cs2)CC1 ZINC000923979391 684381428 /nfs/dbraw/zinc/38/14/28/684381428.db2.gz UPGRCJZXRBLXBL-UHFFFAOYSA-N 1 0 355.467 2.102 20 30 FEEDRO N#Cc1c(NC(=O)CC[N@@H+]2CC[C@H](C3OCCO3)C2)sc2c1CCC2 ZINC000932005812 684387914 /nfs/dbraw/zinc/38/79/14/684387914.db2.gz WZHOMCGDPWUPAV-LBPRGKRZSA-N 1 0 361.467 2.132 20 30 FEEDRO C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)c3ccc(C#N)cc3C(F)(F)F)CC[C@H]21 ZINC000867812240 684396827 /nfs/dbraw/zinc/39/68/27/684396827.db2.gz ISFLBMHBUUHVLN-TZMCWYRMSA-N 1 0 373.400 2.292 20 30 FEEDRO CC(C)Oc1cc(NC(=O)N[C@H]2C[NH2+]C[C@H]2C#N)ccc1Br ZINC000868191925 684462888 /nfs/dbraw/zinc/46/28/88/684462888.db2.gz YNLHKLBMBARINH-MFKMUULPSA-N 1 0 367.247 2.469 20 30 FEEDRO N#Cc1cccc(C2(NC(=O)N[C@H]3CCC[N@@H+]4CCSC[C@H]34)CC2)c1 ZINC000925165850 684533763 /nfs/dbraw/zinc/53/37/63/684533763.db2.gz LHJPYGDLSDZYPY-DLBZAZTESA-N 1 0 356.495 2.426 20 30 FEEDRO CN(CCc1cccc(C#N)c1)C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000925167226 684534123 /nfs/dbraw/zinc/53/41/23/684534123.db2.gz AYEKMUJXWQGAGI-ZWKOTPCHSA-N 1 0 358.511 2.322 20 30 FEEDRO C[C@H](Nc1cc2n(n1)CC[N@H+](C)C2)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000871929265 684884463 /nfs/dbraw/zinc/88/44/63/684884463.db2.gz VZWHAHIBVLJHJA-NSHDSACASA-N 1 0 358.833 2.293 20 30 FEEDRO CN(CCC#N)C[C@H](O)C[NH2+][C@@H]1CCCO[C@H]1c1ccc(Cl)cc1 ZINC000872237565 684930625 /nfs/dbraw/zinc/93/06/25/684930625.db2.gz MAUJRKOCOIWISG-KURKYZTESA-N 1 0 351.878 2.356 20 30 FEEDRO CC(Cc1ccc(F)cc1[N+](=O)[O-])=NNC(=S)NCCC[NH+](C)C ZINC000872351686 684939275 /nfs/dbraw/zinc/93/92/75/684939275.db2.gz MMGLZDPEMVQNKN-UHFFFAOYSA-N 1 0 355.439 2.068 20 30 FEEDRO CSc1nnc(SC)n1N=Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000872417941 684945612 /nfs/dbraw/zinc/94/56/12/684945612.db2.gz URQJLHMUQXJHRA-UHFFFAOYSA-N 1 0 362.528 2.356 20 30 FEEDRO C#C[C@H]1CC[C@H]([NH2+]Cc2c(C)nn([C@H]3CCS(=O)(=O)C3)c2Cl)CC1 ZINC000873198620 685094117 /nfs/dbraw/zinc/09/41/17/685094117.db2.gz SCRWZFLPIMNPQD-KKUMJFAQSA-N 1 0 369.918 2.486 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)NC[C@@H](O)Cc2cccc(Cl)c2)CC1 ZINC000875249171 685765546 /nfs/dbraw/zinc/76/55/46/685765546.db2.gz XSXIYWINHVXMHK-KRWDZBQOSA-N 1 0 351.878 2.193 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NCC(=O)Nc1ccc(Br)cc1C ZINC000876558454 686220239 /nfs/dbraw/zinc/22/02/39/686220239.db2.gz RFUGTXWRONAGEK-NSHDSACASA-N 1 0 374.666 2.282 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)Nc1ccc(C(=O)N2CCOCC2)c(Cl)c1 ZINC000876583613 686224386 /nfs/dbraw/zinc/22/43/86/686224386.db2.gz NOJFCDMMSOWIMX-AWEZNQCLSA-N 1 0 372.252 2.221 20 30 FEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1ccc(C(=O)NCCOC)c(Cl)c1 ZINC000876607226 686227691 /nfs/dbraw/zinc/22/76/91/686227691.db2.gz JUCDBGISHDFAIN-CYBMUJFWSA-N 1 0 360.241 2.125 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC(NC(=O)Nc2ccccc2)CC1 ZINC000876619972 686229681 /nfs/dbraw/zinc/22/96/81/686229681.db2.gz HOOLNSRLVTZLFZ-HNNXBMFYSA-N 1 0 350.850 2.269 20 30 FEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@H](CCC)C(=O)N1CCc2sccc2C1 ZINC000876638004 686234979 /nfs/dbraw/zinc/23/49/79/686234979.db2.gz ZAEKQBUFGLDUOH-ZIAGYGMSSA-N 1 0 369.918 2.388 20 30 FEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC(NC(=O)c2cc(C)oc2C)CC1 ZINC000876642880 686235365 /nfs/dbraw/zinc/23/53/65/686235365.db2.gz OKGQZQFQPDARHY-OAHLLOKOSA-N 1 0 353.850 2.087 20 30 FEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC[C@@H](C(=O)Nc2cccc(C)n2)C1 ZINC000876727682 686254397 /nfs/dbraw/zinc/25/43/97/686254397.db2.gz QSMDEVZGWVFAPP-ZIAGYGMSSA-N 1 0 350.850 2.037 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NCC1CCN(Cc2nc(C)c(C)o2)CC1 ZINC000876759710 686262120 /nfs/dbraw/zinc/26/21/20/686262120.db2.gz QVPVEXNWEUSZDP-HNNXBMFYSA-N 1 0 354.882 2.090 20 30 FEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)NCC1CCN(Cc2nc(C)c(C)o2)CC1 ZINC000876759711 686262362 /nfs/dbraw/zinc/26/23/62/686262362.db2.gz QVPVEXNWEUSZDP-OAHLLOKOSA-N 1 0 354.882 2.090 20 30 FEEDRO C[C@H](CCC#N)C[NH+]1CCN(c2ccc(NS(C)(=O)=O)cc2)CC1 ZINC000876817277 686276608 /nfs/dbraw/zinc/27/66/08/686276608.db2.gz BVACHSDWQRQFKA-OAHLLOKOSA-N 1 0 350.488 2.120 20 30 FEEDRO C=CC[C@@H](C(=O)OC)[N@@H+]1CCC[C@@H](C(=O)N(CC)CC(F)(F)F)C1 ZINC000878136484 686528087 /nfs/dbraw/zinc/52/80/87/686528087.db2.gz AEXSYLQJBWWZGM-OLZOCXBDSA-N 1 0 350.381 2.227 20 30 FEEDRO C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCNc1cc[nH+]cc1 ZINC000878337941 686567456 /nfs/dbraw/zinc/56/74/56/686567456.db2.gz UIBIDAIYKVTEJU-AWEZNQCLSA-N 1 0 368.865 2.068 20 30 FEEDRO C[NH+]1CCC(N2CC[C@H](Nc3ncc(C#N)cc3Br)C2)CC1 ZINC000881977496 687276197 /nfs/dbraw/zinc/27/61/97/687276197.db2.gz PPDHVISKSTVTQB-ZDUSSCGKSA-N 1 0 364.291 2.296 20 30 FEEDRO C#CC[C@@H](CO)[NH2+]Cc1cc(Br)c(OCC=C)c(OC)c1 ZINC000883122998 687571927 /nfs/dbraw/zinc/57/19/27/687571927.db2.gz ICXGVWCLQAUWKK-ZDUSSCGKSA-N 1 0 354.244 2.496 20 30 FEEDRO N#C[C@@H]1C[NH2+]CC12CC(C(=O)N1CCc3c(Br)cccc3C1)C2 ZINC000884116925 687793891 /nfs/dbraw/zinc/79/38/91/687793891.db2.gz JTGINFPKZYSISS-TXKKKEFDSA-N 1 0 374.282 2.473 20 30 FEEDRO N#C[C@H]1C[NH2+]CC12CC(C(=O)N1CCN(c3cccc(Cl)c3)CC1)C2 ZINC000884175952 687808636 /nfs/dbraw/zinc/80/86/36/687808636.db2.gz OQTJYFPVGONDGP-HVEKOLDVSA-N 1 0 358.873 2.128 20 30 FEEDRO N#C[C@H]1C[NH2+]CC12CC(C(=O)N1CC[C@@H](Oc3ccccc3Cl)C1)C2 ZINC000884323796 687848104 /nfs/dbraw/zinc/84/81/04/687848104.db2.gz YSIYSPASQKOGPW-UARSRXHTSA-N 1 0 359.857 2.459 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1C(F)(F)F ZINC000884951631 687972598 /nfs/dbraw/zinc/97/25/98/687972598.db2.gz GUZQBHUWZDYTJA-STQMWFEESA-N 1 0 373.400 2.482 20 30 FEEDRO C#CCN(C(=O)c1nc(C)ccc1Br)C1CC[NH+](C)CC1 ZINC000886571526 688277727 /nfs/dbraw/zinc/27/77/27/688277727.db2.gz ZGWOKGAZXVJFQS-UHFFFAOYSA-N 1 0 350.260 2.322 20 30 FEEDRO C#CCN(C(=O)c1ccc(OCC(F)(F)F)cn1)C1CC[NH+](C)CC1 ZINC000886577801 688279021 /nfs/dbraw/zinc/27/90/21/688279021.db2.gz XVUWKBOAKSUVIV-UHFFFAOYSA-N 1 0 355.360 2.192 20 30 FEEDRO C#CCN1CCC[C@H]([NH2+][C@H](C)c2ccc(S(=O)(=O)C(F)F)cc2)C1 ZINC000886660655 688287203 /nfs/dbraw/zinc/28/72/03/688287203.db2.gz CDDAZDRHDSVLOH-HIFRSBDPSA-N 1 0 356.438 2.431 20 30 FEEDRO COC[C@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1C#N)[C@@H]1CCCOC1 ZINC000886910901 688339488 /nfs/dbraw/zinc/33/94/88/688339488.db2.gz XNDVJNPEIRXLHG-CJNGLKHVSA-N 1 0 351.834 2.181 20 30 FEEDRO C#CCC1([NH2+]CC(=O)Nc2ccc3c(c2)OC(F)(F)O3)CCOCC1 ZINC000887125579 688370306 /nfs/dbraw/zinc/37/03/06/688370306.db2.gz BEUUXSNXFJBCGF-UHFFFAOYSA-N 1 0 352.337 2.109 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)N[C@@](C)(CO)c1cccc(Br)c1 ZINC000890629976 688947606 /nfs/dbraw/zinc/94/76/06/688947606.db2.gz HVONCWZUPMZEBY-INIZCTEOSA-N 1 0 355.276 2.281 20 30 FEEDRO CC[NH+]1CCC(NC(=O)COc2cccc(C#N)c2)(C(F)(F)F)CC1 ZINC000891205447 689032198 /nfs/dbraw/zinc/03/21/98/689032198.db2.gz GSEKUJWUEGZNDA-UHFFFAOYSA-N 1 0 355.360 2.470 20 30 FEEDRO C=CC[NH+]1CCC(NCc2sc(N3CCOCC3)nc2Cl)CC1 ZINC000894229573 689490858 /nfs/dbraw/zinc/49/08/58/689490858.db2.gz UBEXBKKCWFHAJK-UHFFFAOYSA-N 1 0 356.923 2.373 20 30 FEEDRO C[NH+](C)C[C@@]1(O)CCN(c2c(C#N)cnc3c(F)c(F)c(F)cc32)C1 ZINC000895009906 689639555 /nfs/dbraw/zinc/63/95/55/689639555.db2.gz HJDZUEHVRJFSHC-KRWDZBQOSA-N 1 0 350.344 2.027 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)[C@H](O)c1cccc(Br)c1 ZINC000900378001 690509070 /nfs/dbraw/zinc/50/90/70/690509070.db2.gz JCYBIDVEEVKZML-OAHLLOKOSA-N 1 0 368.275 2.176 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)N1CSC[C@H]1C(=O)Nc1ccc(OC)cc1 ZINC000900534241 690529369 /nfs/dbraw/zinc/52/93/69/690529369.db2.gz LHKBUEFUNHHMKE-INIZCTEOSA-N 1 0 363.483 2.043 20 30 FEEDRO Cc1cc(C#N)cc(C)c1CS(=O)(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000903517550 690908031 /nfs/dbraw/zinc/90/80/31/690908031.db2.gz FGMFJSRULYUGAL-UHFFFAOYSA-N 1 0 355.463 2.398 20 30 FEEDRO Cc1cccc(S(=O)(=O)N2C[C@@H](C[NH3+])Cc3cc(F)ccc32)c1C#N ZINC000903589475 690933559 /nfs/dbraw/zinc/93/35/59/690933559.db2.gz VTDWOIZQKCBTJK-CYBMUJFWSA-N 1 0 359.426 2.332 20 30 FEEDRO N#Cc1cc(S(=O)(=O)N2CC[C@@H]3CC[C@@]32C[NH3+])ccc1C(F)(F)F ZINC000903590723 690933820 /nfs/dbraw/zinc/93/38/20/690933820.db2.gz YXCZWHYRGUMUSJ-SMDDNHRTSA-N 1 0 359.373 2.079 20 30 FEEDRO C[NH+](C)CCOc1cc(-c2noc(C3(C#N)CCSCC3)n2)ccn1 ZINC000904022419 690995179 /nfs/dbraw/zinc/99/51/79/690995179.db2.gz FQWWVOMEXAXZQI-UHFFFAOYSA-N 1 0 359.455 2.360 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)s1 ZINC000905363161 691109204 /nfs/dbraw/zinc/10/92/04/691109204.db2.gz ZSLIEFRVTGVBPJ-UHFFFAOYSA-N 1 0 351.497 2.052 20 30 FEEDRO N#Cc1cccc(S(=O)(=O)CCNCc2nccc3c2CCCC3)c1 ZINC000905517672 691130714 /nfs/dbraw/zinc/13/07/14/691130714.db2.gz SURIONQETJXXBH-UHFFFAOYSA-N 1 0 355.463 2.396 20 30 FEEDRO CC(C)(C[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)C1CCOCC1 ZINC000905642069 691155193 /nfs/dbraw/zinc/15/51/93/691155193.db2.gz XMWQRVRZXILGCZ-UHFFFAOYSA-N 1 0 350.484 2.374 20 30 FEEDRO COCCN(CC[C@@H]1CCCC[N@@H+]1C)S(=O)(=O)c1ccc(C#N)cc1 ZINC000906502377 691277907 /nfs/dbraw/zinc/27/79/07/691277907.db2.gz QWRBHDOSMYHXJR-KRWDZBQOSA-N 1 0 365.499 2.070 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2CCC[N@H+](CC3CCCCC3)CC2)nc1 ZINC000906855038 691329186 /nfs/dbraw/zinc/32/91/86/691329186.db2.gz WRBYBLVMXDGHBG-UHFFFAOYSA-N 1 0 362.499 2.230 20 30 FEEDRO CN(C(C)(C)C[NH+]1CCCCCC1)S(=O)(=O)c1ccc(C#N)cn1 ZINC000907138782 691404668 /nfs/dbraw/zinc/40/46/68/691404668.db2.gz XMBLBGUVBGIYLI-UHFFFAOYSA-N 1 0 350.488 2.228 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)N1CC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000907398106 691471387 /nfs/dbraw/zinc/47/13/87/691471387.db2.gz PQJSCJWNKDOHGD-LJQANCHMSA-N 1 0 351.491 2.354 20 30 FEEDRO Cc1nn(CCC#N)c(C)c1OS(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000908389178 691671108 /nfs/dbraw/zinc/67/11/08/691671108.db2.gz DNOMURJJEWTOED-UHFFFAOYSA-N 1 0 362.455 2.243 20 30 FEEDRO C#C[C@H](NC(=O)C[C@]1(O)CCC[N@@H+](C)C1)c1ccc(Br)cc1 ZINC000908516392 691692518 /nfs/dbraw/zinc/69/25/18/691692518.db2.gz IELVHSFCGWCDLF-DOTOQJQBSA-N 1 0 365.271 2.086 20 30 FEEDRO C[N@@H+]1CCO[C@H]2CN(c3cnc(Cl)nc3Oc3ccccc3C#N)C[C@@H]21 ZINC001164667753 719479763 /nfs/dbraw/zinc/47/97/63/719479763.db2.gz MPYMHGMVZPTJHE-HOCLYGCPSA-N 1 0 371.828 2.313 20 30 FEEDRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)ncc1C#N)C2 ZINC001164813175 720088144 /nfs/dbraw/zinc/08/81/44/720088144.db2.gz SWHULXSFEHZKEK-CRAIPNDOSA-N 1 0 361.877 2.186 20 30 FEEDRO N#Cc1cc([N+](=O)[O-])cnc1N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164726910 720371715 /nfs/dbraw/zinc/37/17/15/720371715.db2.gz PVTQOICXPLIRCG-DLBZAZTESA-N 1 0 350.382 2.110 20 30 FEEDRO N#Cc1ccc([N+](=O)[O-])c(N2CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)n1 ZINC001164725992 720379579 /nfs/dbraw/zinc/37/95/79/720379579.db2.gz OIQILEPZNHGSLZ-HZPDHXFCSA-N 1 0 350.382 2.110 20 30 FEEDRO COc1nc(N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)c(F)cc1C#N ZINC001164732877 720427767 /nfs/dbraw/zinc/42/77/67/720427767.db2.gz OTPPMUFDCIYNOC-SJORKVTESA-N 1 0 353.401 2.349 20 30 FEEDRO COc1nc(N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)c(F)cc1C#N ZINC001164732875 720428607 /nfs/dbraw/zinc/42/86/07/720428607.db2.gz OTPPMUFDCIYNOC-IRXDYDNUSA-N 1 0 353.401 2.349 20 30 FEEDRO C[NH+](C)C[C@H]1Cn2ccnc2CN(c2ncc3c(c2C#N)CCCC3)C1 ZINC001164733223 720534102 /nfs/dbraw/zinc/53/41/02/720534102.db2.gz CGLGKPDNEFPAGS-HNNXBMFYSA-N 1 0 350.470 2.227 20 30 FEEDRO Cc1cnc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)c(C#N)n1 ZINC001164844180 720589008 /nfs/dbraw/zinc/58/90/08/720589008.db2.gz ZQEDSWZJZUFGBN-JENIJYKNSA-N 1 0 365.485 2.231 20 30 FEEDRO N#Cc1cnc2cc[nH]c(N3C[C@@H]4C[N@@H+](Cc5nccs5)C[C@@H]4C3)c1-2 ZINC001164789009 721422482 /nfs/dbraw/zinc/42/24/82/721422482.db2.gz UFCJGNZXABROAG-OKILXGFUSA-N 1 0 350.451 2.459 20 30 FEEDRO COc1cc(C#N)nc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c1 ZINC001164906324 721537248 /nfs/dbraw/zinc/53/72/48/721537248.db2.gz JSBLUBUGUMJVBG-VQIMIIECSA-N 1 0 368.412 2.443 20 30 FEEDRO COc1cc(C#N)nc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c1 ZINC001164906322 721537573 /nfs/dbraw/zinc/53/75/73/721537573.db2.gz JSBLUBUGUMJVBG-LPHOPBHVSA-N 1 0 368.412 2.443 20 30 FEEDRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc(CC#N)ccn2)[C@@H]2CCCO[C@@H]12 ZINC001164805733 721568500 /nfs/dbraw/zinc/56/85/00/721568500.db2.gz OPKPBGJNHKHWAD-SFHLNBCPSA-N 1 0 363.465 2.411 20 30 FEEDRO N#Cc1cnn2cc(C[NH2+]CCNc3ccc(-c4ccccc4)nn3)cnc12 ZINC000515077566 816093362 /nfs/dbraw/zinc/09/33/62/816093362.db2.gz NQXITFWFOOHRGT-UHFFFAOYSA-N 1 0 370.420 2.260 20 30 FEEDRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CNc1ccc(C#N)cn1 ZINC000497727512 887337581 /nfs/dbraw/zinc/33/75/81/887337581.db2.gz NEMIMLJHCUCAHR-IBGZPJMESA-N 1 0 363.465 2.346 20 30 FEEDRO C=CCN1C(=O)c2ccc(C(=O)NC3CC[NH+](CCC)CC3)cc2C1=O ZINC000008157467 539478610 /nfs/dbraw/zinc/47/86/10/539478610.db2.gz XBBMVWUJMGDXCO-UHFFFAOYSA-N 1 0 355.438 2.073 20 30 FEEDRO Cc1nn(C)c(C)c1CC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000023753827 539719793 /nfs/dbraw/zinc/71/97/93/539719793.db2.gz OVFUMSUAQPRRAO-UHFFFAOYSA-N 1 0 365.481 2.186 20 30 FEEDRO COC(=O)c1ccc(C[N@H+](C)C[C@H](O)COc2ccc(C#N)cc2)cc1 ZINC000026320738 539783145 /nfs/dbraw/zinc/78/31/45/539783145.db2.gz ZRLMPQVNDLMANS-SFHVURJKSA-N 1 0 354.406 2.217 20 30 FEEDRO CN(C)S(=O)(=O)c1ccc(OCC[N@H+](C)Cc2cccc(C#N)c2)cc1 ZINC000026328511 539783705 /nfs/dbraw/zinc/78/37/05/539783705.db2.gz AVHUAKTZULHUGR-UHFFFAOYSA-N 1 0 373.478 2.319 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)C(=O)NCC[NH+](C(C)C)C(C)C ZINC000549969685 674075863 /nfs/dbraw/zinc/07/58/63/674075863.db2.gz BQGMUZXHKNIZNF-UHFFFAOYSA-N 1 0 351.516 2.498 20 30 FEEDRO Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+](C)[C@@H]3CCC[C@H](C)C3)CC2)o1 ZINC000029820689 539865377 /nfs/dbraw/zinc/86/53/77/539865377.db2.gz YROXLTRLTOTOCT-GOEBONIOSA-N 1 0 359.474 2.014 20 30 FEEDRO COc1cccc(N2CC[NH+](C[C@@H](O)COc3ccc(C#N)cc3)CC2)c1 ZINC000030964128 539895155 /nfs/dbraw/zinc/89/51/55/539895155.db2.gz FVMSDIKVPMKBGC-LJQANCHMSA-N 1 0 367.449 2.129 20 30 FEEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000037170327 539995668 /nfs/dbraw/zinc/99/56/68/539995668.db2.gz QCTJTYIJSJPIMX-UHFFFAOYSA-N 1 0 366.469 2.090 20 30 FEEDRO CC(C)[NH+](CCNC(=O)C1CCN(c2ccc(C#N)cn2)CC1)C(C)C ZINC000039549269 540002338 /nfs/dbraw/zinc/00/23/38/540002338.db2.gz PGPGFBLCFFSXEJ-UHFFFAOYSA-N 1 0 357.502 2.405 20 30 FEEDRO N#CCc1cccc(C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000042378725 540060798 /nfs/dbraw/zinc/06/07/98/540060798.db2.gz HQTOTAYNJJUZGX-UHFFFAOYSA-N 1 0 362.477 2.300 20 30 FEEDRO N#Cc1cccc(NC(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000043329931 540098142 /nfs/dbraw/zinc/09/81/42/540098142.db2.gz DVSSKUBAOIMSRR-UHFFFAOYSA-N 1 0 363.465 2.498 20 30 FEEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(C[NH+](C)C)cc1 ZINC000043520814 540102384 /nfs/dbraw/zinc/10/23/84/540102384.db2.gz MEVKSBJGJRWOCZ-UHFFFAOYSA-N 1 0 352.438 2.496 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1cnc2sccn2c1=O)C(C)C ZINC000046049139 540239396 /nfs/dbraw/zinc/23/93/96/540239396.db2.gz RPUGIDUDZWKZFL-HNNXBMFYSA-N 1 0 360.483 2.184 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)COc1ccccc1C#N ZINC000047010964 540284809 /nfs/dbraw/zinc/28/48/09/540284809.db2.gz HSEZPCXFSVKJGP-UHFFFAOYSA-N 1 0 362.433 2.399 20 30 FEEDRO N#Cc1ccccc1N1CCCN(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000047104394 540289676 /nfs/dbraw/zinc/28/96/76/540289676.db2.gz KIRXYDGUPVNUDH-AZUAARDMSA-N 1 0 367.497 2.407 20 30 FEEDRO CCC(CC)[C@H](CNC(=O)NCc1ccc(C#N)cc1)[NH+]1CCOCC1 ZINC000048504339 540365019 /nfs/dbraw/zinc/36/50/19/540365019.db2.gz HKLFFGGUOYKFJE-IBGZPJMESA-N 1 0 358.486 2.494 20 30 FEEDRO C#CCOc1ccccc1C[NH2+]Cc1cccc(OCC(=O)N(C)C)c1 ZINC000048745675 540372480 /nfs/dbraw/zinc/37/24/80/540372480.db2.gz VYJVAMHRULTBOR-UHFFFAOYSA-N 1 0 352.434 2.455 20 30 FEEDRO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](C)[C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000051855480 540446191 /nfs/dbraw/zinc/44/61/91/540446191.db2.gz WNPDSMMTTAQWGZ-HOTGVXAUSA-N 1 0 354.458 2.268 20 30 FEEDRO C=CCc1ccc(OC[C@H](O)CN2CC[NH+](CC(C)C)CC2)c(OC)c1 ZINC000053420186 540533521 /nfs/dbraw/zinc/53/35/21/540533521.db2.gz NPIHCJCDGCDNGH-LJQANCHMSA-N 1 0 362.514 2.437 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)c(C(F)(F)F)c1 ZINC000053667204 540547672 /nfs/dbraw/zinc/54/76/72/540547672.db2.gz FTIUXXIOKHXWIE-ZIAGYGMSSA-N 1 0 373.400 2.482 20 30 FEEDRO Cc1n[nH]c(C)c1NC(=O)CN1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000055172197 540632641 /nfs/dbraw/zinc/63/26/41/540632641.db2.gz WLMIGYHKEDJXMK-UHFFFAOYSA-N 1 0 366.469 2.045 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)CSc1nncs1 ZINC000055388372 540649901 /nfs/dbraw/zinc/64/99/01/540649901.db2.gz ZFVPDPLITHXXCL-UHFFFAOYSA-N 1 0 361.496 2.092 20 30 FEEDRO N#CCSc1ccccc1C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000801113981 674102917 /nfs/dbraw/zinc/10/29/17/674102917.db2.gz HENSHDPRWCIVLU-MRXNPFEDSA-N 1 0 359.495 2.487 20 30 FEEDRO Cc1nccc(CNC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000056474177 540729023 /nfs/dbraw/zinc/72/90/23/540729023.db2.gz MMJRPRMSCLPPQH-UHFFFAOYSA-N 1 0 364.453 2.074 20 30 FEEDRO C[NH+](C)CC(C)(C)CNC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000076298983 542257883 /nfs/dbraw/zinc/25/78/83/542257883.db2.gz WOFGKYQHURGHJB-UHFFFAOYSA-N 1 0 370.375 2.220 20 30 FEEDRO CC(C)[C@](C)(C#N)NC(=O)C[N@H+](C)[C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000057800497 540815926 /nfs/dbraw/zinc/81/59/26/540815926.db2.gz ACQWAOMZEQACCT-KXBFYZLASA-N 1 0 354.458 2.315 20 30 FEEDRO C[N@@H+]1CCC[C@H](CNC(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)C1 ZINC000541097778 541150104 /nfs/dbraw/zinc/15/01/04/541150104.db2.gz DXYNFKWJZGQOBM-CQSZACIVSA-N 1 0 356.405 2.346 20 30 FEEDRO C=CCN(CC(=O)NC1CC[NH+](C2CC2)CC1)Cc1ccc(OC)cc1 ZINC000064508802 541209500 /nfs/dbraw/zinc/20/95/00/541209500.db2.gz SWHMFCGUMPKYKS-UHFFFAOYSA-N 1 0 357.498 2.426 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1ccc(OCC(F)(F)F)nc1 ZINC000064361302 541203065 /nfs/dbraw/zinc/20/30/65/541203065.db2.gz QIFXSGGKSLCZHN-UHFFFAOYSA-N 1 0 358.364 2.330 20 30 FEEDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)C1 ZINC000065441219 541238650 /nfs/dbraw/zinc/23/86/50/541238650.db2.gz ARJTTZBBZYVWPD-HXUWFJFHSA-N 1 0 369.513 2.116 20 30 FEEDRO COCc1nc(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)cs1 ZINC000065930166 541272584 /nfs/dbraw/zinc/27/25/84/541272584.db2.gz SZPCATJYIWYTSG-UHFFFAOYSA-N 1 0 358.467 2.365 20 30 FEEDRO CC1CC[NH+](CCCNC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)CC1 ZINC000066239895 541293911 /nfs/dbraw/zinc/29/39/11/541293911.db2.gz WGJLXRRPIPLKOI-UHFFFAOYSA-N 1 0 366.469 2.178 20 30 FEEDRO C[NH+](C)C1CCN(C(=O)CCC(=O)N(CCC#N)c2ccccc2)CC1 ZINC000066620833 541347852 /nfs/dbraw/zinc/34/78/52/541347852.db2.gz LPHCJALDJXMZIY-UHFFFAOYSA-N 1 0 356.470 2.266 20 30 FEEDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)N2CCN(c3cccc(F)c3C#N)CC2)C1 ZINC000067682939 541498318 /nfs/dbraw/zinc/49/83/18/541498318.db2.gz DUIUYCSABBOGST-MRXNPFEDSA-N 1 0 373.476 2.259 20 30 FEEDRO Cc1nc(C(=O)Nc2ccc(NC(=O)CC[NH+](C)C)cc2)ccc1C#N ZINC000067870122 541522572 /nfs/dbraw/zinc/52/25/72/541522572.db2.gz UMXWWHGUJCJURY-UHFFFAOYSA-N 1 0 351.410 2.404 20 30 FEEDRO C[NH+](C)[C@H]1CCCN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)C1 ZINC000069473484 541688670 /nfs/dbraw/zinc/68/86/70/541688670.db2.gz WMFYKDANSNCCQG-SJORKVTESA-N 1 0 373.476 2.402 20 30 FEEDRO C=CC[C@H]1N(C(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)CCCC1(C)C ZINC000550838871 674113991 /nfs/dbraw/zinc/11/39/91/674113991.db2.gz MDLZQBZBQQCGST-DNVCBOLYSA-N 1 0 367.559 2.133 20 30 FEEDRO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCC[C@]3(CNC(=O)C3)C1)CCC2 ZINC000072831276 541875568 /nfs/dbraw/zinc/87/55/68/541875568.db2.gz HUSYIFXENODGEK-IBGZPJMESA-N 1 0 372.494 2.039 20 30 FEEDRO C[NH+](C)[C@H](CNS(=O)(=O)Cc1cccc(C#N)c1)Cc1ccccc1 ZINC000073793994 542000947 /nfs/dbraw/zinc/00/09/47/542000947.db2.gz XXAAUWSFZRXIPJ-IBGZPJMESA-N 1 0 357.479 2.151 20 30 FEEDRO CC[NH+](CC)CCOC1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000074974484 542142801 /nfs/dbraw/zinc/14/28/01/542142801.db2.gz VARPWFBQNZMPHK-UHFFFAOYSA-N 1 0 365.499 2.070 20 30 FEEDRO N#Cc1c(F)cccc1N1CCN(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000076981834 542338183 /nfs/dbraw/zinc/33/81/83/542338183.db2.gz UYJMHZPOAGXRFU-INIZCTEOSA-N 1 0 371.460 2.013 20 30 FEEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000077466342 542385140 /nfs/dbraw/zinc/38/51/40/542385140.db2.gz HIRFMYXFJALHGT-GJZGRUSLSA-N 1 0 361.515 2.306 20 30 FEEDRO CC(C)[C@H](C#N)N1CCN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000078451668 542462176 /nfs/dbraw/zinc/46/21/76/542462176.db2.gz WIIIVDCEZCLQRL-UXHICEINSA-N 1 0 354.498 2.343 20 30 FEEDRO COc1ccc([C@H](CNC(=O)CN(C)CCC#N)[NH+]2CCCCC2)cc1 ZINC000078645528 542473660 /nfs/dbraw/zinc/47/36/60/542473660.db2.gz JQPLPORTMSWDJB-IBGZPJMESA-N 1 0 358.486 2.184 20 30 FEEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000801951218 674156350 /nfs/dbraw/zinc/15/63/50/674156350.db2.gz SMGYKSBZRVLPRD-AEFFLSMTSA-N 1 0 351.853 2.342 20 30 FEEDRO C=C(C)CN(CC)C(=O)C[NH+]1CCC(C(=O)Nc2cc(C)ccn2)CC1 ZINC000079883092 542547408 /nfs/dbraw/zinc/54/74/08/542547408.db2.gz WAQKPABUHUUYPT-UHFFFAOYSA-N 1 0 358.486 2.465 20 30 FEEDRO N#Cc1cc(S(N)(=O)=O)ccc1NC1CCC([NH+]2CCCCC2)CC1 ZINC000080247832 542577990 /nfs/dbraw/zinc/57/79/90/542577990.db2.gz RTKRHHDJCMDCRP-UHFFFAOYSA-N 1 0 362.499 2.415 20 30 FEEDRO CN(C(=O)c1cc(C#N)cn1C)C1CC[NH+](CCc2ccncc2)CC1 ZINC000081728530 542673775 /nfs/dbraw/zinc/67/37/75/542673775.db2.gz YWRQYXOYPIEYJQ-UHFFFAOYSA-N 1 0 351.454 2.071 20 30 FEEDRO CCCCNC(=O)C1([NH2+]CC(=O)N[C@@](C)(C#N)C(C)C)CCCCC1 ZINC000085907211 542734268 /nfs/dbraw/zinc/73/42/68/542734268.db2.gz UVPWYXLWYZPQEC-SFHVURJKSA-N 1 0 350.507 2.250 20 30 FEEDRO CCN(CCC#N)C(=O)CNc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000088524470 542752459 /nfs/dbraw/zinc/75/24/59/542752459.db2.gz JMLGPGDFZQKWSW-IAGOWNOFSA-N 1 0 358.486 2.470 20 30 FEEDRO Cc1nc(C)c(CNC2=[NH+]C[C@H]3CN(C(=O)OC(C)(C)C)CCN23)s1 ZINC000089120944 542757992 /nfs/dbraw/zinc/75/79/92/542757992.db2.gz GSRUUBVFAJEFMB-ZDUSSCGKSA-N 1 0 365.503 2.140 20 30 FEEDRO Cc1nn(-c2ccccc2)c(CN2CC[NH+](C[C@@H]3CCOC3)CC2)c1C#N ZINC000091071928 542793039 /nfs/dbraw/zinc/79/30/39/542793039.db2.gz MRIUDMDCQHRAHV-SFHVURJKSA-N 1 0 365.481 2.207 20 30 FEEDRO C#CCC[NH+]1CCN(c2cc(Nc3ccc(OC)cc3OC)ncn2)CC1 ZINC000091480391 542810238 /nfs/dbraw/zinc/81/02/38/542810238.db2.gz LRBBPVMRJWTQIW-UHFFFAOYSA-N 1 0 367.453 2.383 20 30 FEEDRO CC[N@H+](CCc1ccccc1)CC(=O)N1CCN([C@H](C#N)C(C)C)CC1 ZINC000091539861 542811443 /nfs/dbraw/zinc/81/14/43/542811443.db2.gz ZAIYYWDGSLTPLU-HXUWFJFHSA-N 1 0 356.514 2.243 20 30 FEEDRO C[NH+](C)[C@H]1CC[C@H](NC(=O)N2CCN(c3cccc(F)c3C#N)CC2)C1 ZINC000091711580 542821652 /nfs/dbraw/zinc/82/16/52/542821652.db2.gz DJTFQZHBGNETRB-GJZGRUSLSA-N 1 0 359.449 2.012 20 30 FEEDRO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CC[C@H](c3ccccc3)C2)CC1 ZINC000092618201 542875809 /nfs/dbraw/zinc/87/58/09/542875809.db2.gz MWUQDBPQAXSSFI-PMACEKPBSA-N 1 0 354.498 2.168 20 30 FEEDRO Cc1cccnc1[C@H]([NH2+]CC(=O)N1CCN([C@H](C#N)C(C)C)CC1)C(C)C ZINC000092643055 542876512 /nfs/dbraw/zinc/87/65/12/542876512.db2.gz GLEUGNYDQKPFCH-UYAOXDASSA-N 1 0 371.529 2.369 20 30 FEEDRO C=CCOc1ccc(C[NH+]2CCC(N(C)S(=O)(=O)CC)CC2)cc1 ZINC000093320888 542926224 /nfs/dbraw/zinc/92/62/24/542926224.db2.gz VCLPKRCSDHSKCL-UHFFFAOYSA-N 1 0 352.500 2.497 20 30 FEEDRO CC1CC[NH+](CCNC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)CC1 ZINC000101607831 543036981 /nfs/dbraw/zinc/03/69/81/543036981.db2.gz YQVQVOZSMZIFRQ-UHFFFAOYSA-N 1 0 373.476 2.261 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1cnc2ccccn2c1=O)C(C)C ZINC000101684533 543041113 /nfs/dbraw/zinc/04/11/13/543041113.db2.gz VRLIEHJFXFDEGJ-KRWDZBQOSA-N 1 0 354.454 2.123 20 30 FEEDRO C[C@H](C[NH+]1CCCCC1)NC(=O)N1CCN(c2ccccc2C#N)CC1 ZINC000101788661 543045002 /nfs/dbraw/zinc/04/50/02/543045002.db2.gz REBQQIDBEJGEMY-QGZVFWFLSA-N 1 0 355.486 2.264 20 30 FEEDRO C=CCNC(=O)NC(=O)C[NH2+][C@H](C)c1ccc(OC)c(Br)c1 ZINC000102697636 543078317 /nfs/dbraw/zinc/07/83/17/543078317.db2.gz ROUUBMLFXFQCLD-SNVBAGLBSA-N 1 0 370.247 2.120 20 30 FEEDRO COc1cc(/C=C/C(=O)N(C)CC2CC[NH+](C)CC2)ccc1OCC#N ZINC000103453624 543107884 /nfs/dbraw/zinc/10/78/84/543107884.db2.gz AVMQYQBAAOUFCU-FNORWQNLSA-N 1 0 357.454 2.411 20 30 FEEDRO CCC[N@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)CC(=O)N(C)C ZINC000103469452 543109057 /nfs/dbraw/zinc/10/90/57/543109057.db2.gz YHHSGWNJANSWTR-UHFFFAOYSA-N 1 0 350.850 2.340 20 30 FEEDRO COc1ccc(NC(=[NH2+])NC[C@@H](c2ccccc2)N2CCOCC2)cc1 ZINC000104170209 543125347 /nfs/dbraw/zinc/12/53/47/543125347.db2.gz GLMQWQUHZXIFDE-IBGZPJMESA-N 1 0 354.454 2.495 20 30 FEEDRO Cc1ccc(NC(=[NH2+])NCCS(=O)(=O)NCc2ccccc2)cc1C ZINC000104170842 543125542 /nfs/dbraw/zinc/12/55/42/543125542.db2.gz RBQNDIPBWLVUBF-UHFFFAOYSA-N 1 0 360.483 2.150 20 30 FEEDRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)c2ccc(C#N)cn2)CC1 ZINC000107449855 543270875 /nfs/dbraw/zinc/27/08/75/543270875.db2.gz VGMVBTPBYGGOSA-UHFFFAOYSA-N 1 0 363.465 2.021 20 30 FEEDRO C[C@@H]1C[NH+](Cc2ccc(CNC(=O)c3ccc(C#N)cn3)cc2)C[C@@H](C)O1 ZINC000107552115 543272181 /nfs/dbraw/zinc/27/21/81/543272181.db2.gz GDXNKSILKPBZEH-HZPDHXFCSA-N 1 0 364.449 2.492 20 30 FEEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)NCC[NH+]1CCCCC1 ZINC000108605498 543297201 /nfs/dbraw/zinc/29/72/01/543297201.db2.gz YUDSPZWZRYMJKI-OAHLLOKOSA-N 1 0 374.510 2.479 20 30 FEEDRO C#CCOc1cccc(NC(=O)C(=O)NC[C@H](c2cccs2)[NH+](C)C)c1 ZINC000108604406 543297404 /nfs/dbraw/zinc/29/74/04/543297404.db2.gz DEPHFTIXEWGGOC-MRXNPFEDSA-N 1 0 371.462 2.118 20 30 FEEDRO C#CCOc1cccc(NC(=O)NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)c1 ZINC000108520012 543292543 /nfs/dbraw/zinc/29/25/43/543292543.db2.gz AOYZFTYERDKSGF-IBGZPJMESA-N 1 0 358.486 2.092 20 30 FEEDRO COc1ccccc1[C@@H](CNC(=O)C1(C#N)CCOCC1)[NH+]1CCCC1 ZINC000109138441 543315693 /nfs/dbraw/zinc/31/56/93/543315693.db2.gz YVPSCYAOWSQWKC-QGZVFWFLSA-N 1 0 357.454 2.269 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)C)CC1 ZINC000109174659 543316753 /nfs/dbraw/zinc/31/67/53/543316753.db2.gz XILWVIJUUOEOSP-IBGZPJMESA-N 1 0 372.513 2.026 20 30 FEEDRO C[N@@H+]1CCCC[C@H]1CN1CCN(CCCOc2ccc(C#N)cc2)CC1 ZINC000109756001 543337945 /nfs/dbraw/zinc/33/79/45/543337945.db2.gz YXEHQOVWUNBNEI-FQEVSTJZSA-N 1 0 356.514 2.429 20 30 FEEDRO CNC(=O)[C@H]1CCC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000111265168 543390222 /nfs/dbraw/zinc/39/02/22/543390222.db2.gz OFPYSFZMIWSOCN-ROUUACIJSA-N 1 0 370.497 2.397 20 30 FEEDRO N#Cc1cc(NC(=O)C(=O)NCCCCC[NH+]2CCCCC2)ccc1F ZINC000111919756 543425471 /nfs/dbraw/zinc/42/54/71/543425471.db2.gz IUODQMZGHHJPKO-UHFFFAOYSA-N 1 0 360.433 2.408 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1cc2c([nH]c1=O)CCCC2=O)C(C)C ZINC000112919884 543468584 /nfs/dbraw/zinc/46/85/84/543468584.db2.gz MOSZROQYRBVXPT-GOSISDBHSA-N 1 0 371.481 2.322 20 30 FEEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)COc1cccc(C=O)c1 ZINC000113158401 543475577 /nfs/dbraw/zinc/47/55/77/543475577.db2.gz WMQZGNRZKWQYLX-UHFFFAOYSA-N 1 0 365.433 2.340 20 30 FEEDRO C#CCOc1ccc(C[NH2+][C@@H](C)c2ccc(S(=O)(=O)NC)cc2)cc1 ZINC000113327215 543484335 /nfs/dbraw/zinc/48/43/35/543484335.db2.gz ZBAYZIKCZGEMFN-HNNXBMFYSA-N 1 0 358.463 2.458 20 30 FEEDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(S(=O)(=O)c2ccc(C#N)nc2)C1 ZINC000113945182 543499854 /nfs/dbraw/zinc/49/98/54/543499854.db2.gz JSUIYQZVRPECIZ-HOTGVXAUSA-N 1 0 362.499 2.228 20 30 FEEDRO C[C@@H](C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000114558161 543523981 /nfs/dbraw/zinc/52/39/81/543523981.db2.gz KGLXURQAETYACP-HLNWXESRSA-N 1 0 354.498 2.484 20 30 FEEDRO CC(C)(C[NH2+][C@H](C(N)=O)c1ccc(C#N)cc1)c1ccc2c(c1)OCO2 ZINC000115598693 543577949 /nfs/dbraw/zinc/57/79/49/543577949.db2.gz SRMHYAYBTSCQRX-SFHVURJKSA-N 1 0 351.406 2.381 20 30 FEEDRO CC(C)(C[NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1)c1ccc2c(c1)OCCO2 ZINC000115598699 543577735 /nfs/dbraw/zinc/57/77/35/543577735.db2.gz FVKRQUPVBWFIGO-LJQANCHMSA-N 1 0 365.433 2.423 20 30 FEEDRO CCN(CC)c1ccc(/C=[NH+]/[C@@H]2CCN(c3cnn(C)c3)C2=O)c(O)c1 ZINC000117544847 543635528 /nfs/dbraw/zinc/63/55/28/543635528.db2.gz ROSRNXGXDYRBRS-MLHZQLSASA-N 1 0 355.442 2.196 20 30 FEEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N(C)CCC[NH+](C)C ZINC000121015572 543687733 /nfs/dbraw/zinc/68/77/33/543687733.db2.gz FJWANRFCFDREHP-AWEZNQCLSA-N 1 0 362.499 2.287 20 30 FEEDRO CC1CC[NH+](C[C@H]2CCCN(CC(=O)N(CCC#N)CCC#N)C2)CC1 ZINC000118832774 543660163 /nfs/dbraw/zinc/66/01/63/543660163.db2.gz QOBMTKRBQYTGRD-LJQANCHMSA-N 1 0 359.518 2.086 20 30 FEEDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000119289413 543665628 /nfs/dbraw/zinc/66/56/28/543665628.db2.gz UXAMDFZNEGMZDQ-YOEHRIQHSA-N 1 0 356.470 2.225 20 30 FEEDRO C=CCN1C(=O)c2ccc(C(=O)NC[C@H]3CC[N@@H+](CC(C)C)C3)cc2C1=O ZINC000119742570 543671362 /nfs/dbraw/zinc/67/13/62/543671362.db2.gz QQWGAXNITUWDND-OAHLLOKOSA-N 1 0 369.465 2.176 20 30 FEEDRO C=CCc1cc(C[N@@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)cc(OC)c1O ZINC000124450760 543822623 /nfs/dbraw/zinc/82/26/23/543822623.db2.gz MRIHDEWGIFDDFP-SFHVURJKSA-N 1 0 374.481 2.200 20 30 FEEDRO C=CCOc1cc(OC)ccc1C(=O)NCCCN1CC[NH+](CC)CC1 ZINC000125053451 543858043 /nfs/dbraw/zinc/85/80/43/543858043.db2.gz ZSPNXRKTKQZLTK-UHFFFAOYSA-N 1 0 361.486 2.017 20 30 FEEDRO CCc1cccc(C)c1NC(=O)C[N@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000125478616 543883689 /nfs/dbraw/zinc/88/36/89/543883689.db2.gz IESLXRLCINJOEI-UHFFFAOYSA-N 1 0 354.458 2.238 20 30 FEEDRO C=C[C@H](CC(=O)N1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1)c1ccccc1 ZINC000125913586 543908382 /nfs/dbraw/zinc/90/83/82/543908382.db2.gz SRKZHUSGPNOIST-VQIMIIECSA-N 1 0 355.482 2.287 20 30 FEEDRO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N(C)CC(=O)NC(C)(C)C ZINC000127065504 543971142 /nfs/dbraw/zinc/97/11/42/543971142.db2.gz VDMIYDCRJIXRNY-HVEKOLDVSA-N 1 0 350.507 2.152 20 30 FEEDRO Cc1c(CCC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cnn1C ZINC000126633895 543948199 /nfs/dbraw/zinc/94/81/99/543948199.db2.gz OATNYGAUDHCVMZ-UHFFFAOYSA-N 1 0 365.481 2.267 20 30 FEEDRO COC[C@H](NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)C1CC1 ZINC000126675653 543950169 /nfs/dbraw/zinc/95/01/69/543950169.db2.gz BLPZSRYIQXGQDG-IBGZPJMESA-N 1 0 356.470 2.201 20 30 FEEDRO C=CC[C@H](C)[C@H](C)[NH2+]Cc1ccccc1S(=O)(=O)N1CCN(C)CC1 ZINC000127777645 544013408 /nfs/dbraw/zinc/01/34/08/544013408.db2.gz UEFLGKSSYRJJKX-IRXDYDNUSA-N 1 0 365.543 2.313 20 30 FEEDRO C=CCOc1cc(OC)ccc1C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000127959630 544024061 /nfs/dbraw/zinc/02/40/61/544024061.db2.gz QGXAJPDADMCOMH-INIZCTEOSA-N 1 0 374.481 2.491 20 30 FEEDRO C=CCN1C(=O)c2ccc(C(=O)N3CC[C@@H](C[NH+]4CCCC4)C3)cc2C1=O ZINC000128240986 544040745 /nfs/dbraw/zinc/04/07/45/544040745.db2.gz NKBKWBMULKYOII-HNNXBMFYSA-N 1 0 367.449 2.027 20 30 FEEDRO C=C[C@@H](CC(=O)N1CCN(C(=O)C[NH+](CC)CC)CC1)c1ccccc1 ZINC000129652659 544121758 /nfs/dbraw/zinc/12/17/58/544121758.db2.gz ZGQWBCNUDIBDGI-SFHVURJKSA-N 1 0 357.498 2.359 20 30 FEEDRO C=C[C@H](CC(=O)N1CCN(C(=O)C[NH+](CC)CC)CC1)c1ccccc1 ZINC000129652416 544121832 /nfs/dbraw/zinc/12/18/32/544121832.db2.gz ZGQWBCNUDIBDGI-GOSISDBHSA-N 1 0 357.498 2.359 20 30 FEEDRO CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000130209132 544143226 /nfs/dbraw/zinc/14/32/26/544143226.db2.gz AWRXGUFGTIOVLT-SFHVURJKSA-N 1 0 355.442 2.358 20 30 FEEDRO C=CC[C@@H](C)[C@H](C)[NH2+]C1CCN(S(=O)(=O)[N-]CC(F)(F)F)CC1 ZINC000130536365 544154896 /nfs/dbraw/zinc/15/48/96/544154896.db2.gz XIITUHNKQRKGNA-NEPJUHHUSA-N 1 0 357.442 2.038 20 30 FEEDRO CCOc1ccc(N(CCC#N)C(=O)CN2CCOC[C@@H]2C2CC2)cc1 ZINC000132400130 544229818 /nfs/dbraw/zinc/22/98/18/544229818.db2.gz WOBYWAVBTSGDQL-LJQANCHMSA-N 1 0 357.454 2.443 20 30 FEEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000133460002 544270555 /nfs/dbraw/zinc/27/05/55/544270555.db2.gz VROWHPZJILXUNW-AWEZNQCLSA-N 1 0 374.485 2.376 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)CSc2ccccc2OC)c1C#N ZINC000134089647 544293675 /nfs/dbraw/zinc/29/36/75/544293675.db2.gz LTHXTFDLMPYQDB-UHFFFAOYSA-N 1 0 359.455 2.173 20 30 FEEDRO COc1ccc(C[N@H+](C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)cc1C#N ZINC000134970338 544329718 /nfs/dbraw/zinc/32/97/18/544329718.db2.gz OCSZALNMBRLPNM-CYBMUJFWSA-N 1 0 359.451 2.407 20 30 FEEDRO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccc(C#N)cc1F)c1ccccc1 ZINC000135660047 544358367 /nfs/dbraw/zinc/35/83/67/544358367.db2.gz JUQFKKMCSSLDIK-KRWDZBQOSA-N 1 0 354.385 2.055 20 30 FEEDRO C=CCNc1ncc(C(=O)N2CCC([N@H+]3CCO[C@@H](C)C3)CC2)s1 ZINC000136218596 544369449 /nfs/dbraw/zinc/36/94/49/544369449.db2.gz HKPNMDWRQKIPOI-ZDUSSCGKSA-N 1 0 350.488 2.066 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)Nc2nnc(-c3ccc(OC)cc3)s2)CC1 ZINC000136363648 544371816 /nfs/dbraw/zinc/37/18/16/544371816.db2.gz DIZBQGZLZQVPKG-UHFFFAOYSA-N 1 0 356.451 2.497 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)CC1 ZINC000139914560 544405804 /nfs/dbraw/zinc/40/58/04/544405804.db2.gz GDQONEHQXMLSNV-KRWDZBQOSA-N 1 0 359.539 2.422 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CCO[C@@]3(CCSC3)C2)CC1 ZINC000150929277 544487930 /nfs/dbraw/zinc/48/79/30/544487930.db2.gz VLSIBPCAMXRJJF-WMZOPIPTSA-N 1 0 353.532 2.381 20 30 FEEDRO C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)C[N@@H+]1C1CC1 ZINC000151790593 544580069 /nfs/dbraw/zinc/58/00/69/544580069.db2.gz MHJYWFDVKKKZLF-CZUORRHYSA-N 1 0 354.454 2.168 20 30 FEEDRO C[C@@H]1CCC[N@@H+]1C1CCN(CCS(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000153224238 544748868 /nfs/dbraw/zinc/74/88/68/544748868.db2.gz YURDFHRKSYUNIS-MRXNPFEDSA-N 1 0 361.511 2.281 20 30 FEEDRO C[C@H](C(=O)NCc1ccc(Cl)cc1)[N@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000153320042 544760469 /nfs/dbraw/zinc/76/04/69/544760469.db2.gz SAUWTGWQDNDROA-GFCCVEGCSA-N 1 0 374.876 2.086 20 30 FEEDRO CC[NH+]=C(NC[C@@H](O)c1ccc(C)cc1)N[C@H]1CCCn2nc(C)nc21 ZINC000153615553 544798867 /nfs/dbraw/zinc/79/88/67/544798867.db2.gz KEPHUEDWYQOJIJ-DLBZAZTESA-N 1 0 356.474 2.019 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ncn(-c2ccccc2)n1 ZINC000154035033 544856624 /nfs/dbraw/zinc/85/66/24/544856624.db2.gz BDMKDTFYGWXJEX-UHFFFAOYSA-N 1 0 374.448 2.343 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCCC[C@@H]2SCC)CC1 ZINC000553395412 674257614 /nfs/dbraw/zinc/25/76/14/674257614.db2.gz HQGLKNLFHXJPIC-IRXDYDNUSA-N 1 0 367.559 2.324 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(C)[C@@H]2CC[C@@H](SCC)C2)CC1 ZINC000553397636 674257774 /nfs/dbraw/zinc/25/77/74/674257774.db2.gz VWIDLHATOGHYNH-IAGOWNOFSA-N 1 0 367.559 2.276 20 30 FEEDRO Cc1nc(C(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)ccc1C#N ZINC000180295519 327679992 /nfs/dbraw/zinc/67/99/92/327679992.db2.gz HGITVDAVWBELSY-UHFFFAOYSA-N 1 0 356.470 2.226 20 30 FEEDRO N#Cc1ccc(C(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)cc1O ZINC000188400748 328084782 /nfs/dbraw/zinc/08/47/82/328084782.db2.gz XSUFHJQMBQZIRH-UHFFFAOYSA-N 1 0 365.433 2.151 20 30 FEEDRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)COc2ccc(C#N)c(Cl)c2)C1 ZINC000190249309 328196508 /nfs/dbraw/zinc/19/65/08/328196508.db2.gz HPSZARWPTLLSNT-INIZCTEOSA-N 1 0 365.861 2.063 20 30 FEEDRO CCc1nc(C2CCN([C@H]3CCN(c4sccc4C#N)C3=O)CC2)n[nH]1 ZINC000190668529 328223496 /nfs/dbraw/zinc/22/34/96/328223496.db2.gz JSGFBGFTBJYVDU-AWEZNQCLSA-N 1 0 370.482 2.285 20 30 FEEDRO COc1cc(C#N)ccc1OCCN1CCSC[C@@H]1c1cnn(C)c1 ZINC000191218464 328254365 /nfs/dbraw/zinc/25/43/65/328254365.db2.gz CMKFBMBVDBPFCW-MRXNPFEDSA-N 1 0 358.467 2.469 20 30 FEEDRO COc1ccc(C[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1OC ZINC000192244895 328308616 /nfs/dbraw/zinc/30/86/16/328308616.db2.gz QTDZGCCMUVQOBF-SFHVURJKSA-N 1 0 365.433 2.466 20 30 FEEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000054848273 324766401 /nfs/dbraw/zinc/76/64/01/324766401.db2.gz XDOZYJRZQDHSGN-UHFFFAOYSA-N 1 0 370.453 2.027 20 30 FEEDRO Cc1ccc(C#N)cc1NC(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000058452318 324837464 /nfs/dbraw/zinc/83/74/64/324837464.db2.gz UFHZJXLTZWTTBS-UHFFFAOYSA-N 1 0 364.453 2.335 20 30 FEEDRO C[C@@H](Oc1ccccc1C#N)C(=O)NCCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000083025535 325210411 /nfs/dbraw/zinc/21/04/11/325210411.db2.gz UGYCCMUCAQFKNL-BRWVUGGUSA-N 1 0 359.470 2.331 20 30 FEEDRO C[NH+](C)C[C@H]1CCN(S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)C1 ZINC000083537971 325218517 /nfs/dbraw/zinc/21/85/17/325218517.db2.gz VCIPNQYTYIYZPB-LLVKDONJSA-N 1 0 361.389 2.149 20 30 FEEDRO N#Cc1csc(C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000084070348 325228189 /nfs/dbraw/zinc/22/81/89/325228189.db2.gz DXNPHUYCJSPZCS-UHFFFAOYSA-N 1 0 354.479 2.167 20 30 FEEDRO CCc1c(C(=O)Nc2n[nH]c(CCC[NH2+]C)c2C#N)cnn1CC(C)C ZINC000089675818 325326632 /nfs/dbraw/zinc/32/66/32/325326632.db2.gz DRVOLLAWLUDFJY-UHFFFAOYSA-N 1 0 357.462 2.101 20 30 FEEDRO Cc1cc(C)cc(NC(=O)[C@@H](C)[N@H+](C)CCCc2[nH]nc(N)c2C#N)c1 ZINC000089943025 325343767 /nfs/dbraw/zinc/34/37/67/325343767.db2.gz LJEBJCWFQLDCJN-CQSZACIVSA-N 1 0 354.458 2.372 20 30 FEEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000118132258 326084811 /nfs/dbraw/zinc/08/48/11/326084811.db2.gz APGNTRIMSKYRJF-UHFFFAOYSA-N 1 0 372.469 2.275 20 30 FEEDRO CC(C)n1cnnc1[C@H]1CCC[N@H+](C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000118861062 326109123 /nfs/dbraw/zinc/10/91/23/326109123.db2.gz LXSGVRCYYFXZCG-ROUUACIJSA-N 1 0 369.469 2.350 20 30 FEEDRO CC(C)Oc1ccc(NC(=O)C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)cc1C#N ZINC000119168869 326133941 /nfs/dbraw/zinc/13/39/41/326133941.db2.gz RNBZTZMJXGYTGJ-DOTOQJQBSA-N 1 0 372.469 2.273 20 30 FEEDRO CC[C@@H]1CCCC[C@H]1[N@H+](C)CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 ZINC000120893610 326296997 /nfs/dbraw/zinc/29/69/97/326296997.db2.gz OZGBTHPUPOZPDW-SJLPKXTDSA-N 1 0 373.501 2.404 20 30 FEEDRO N#Cc1cccc(NC(=O)CC[NH+]2CCC(OC[C@H]3CCOC3)CC2)c1 ZINC000131871188 326583313 /nfs/dbraw/zinc/58/33/13/326583313.db2.gz MXVZFQTVVFWEOR-KRWDZBQOSA-N 1 0 357.454 2.404 20 30 FEEDRO N#Cc1ccc(NC(=O)CC[N@@H+]2CC[C@@H]3[C@H](CCC(=O)N3C3CC3)C2)cc1 ZINC000162964514 327038991 /nfs/dbraw/zinc/03/89/91/327038991.db2.gz CYUHXLORCFLQCH-VQIMIIECSA-N 1 0 366.465 2.362 20 30 FEEDRO Cc1cc(C#N)ccc1C(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000164212772 327066583 /nfs/dbraw/zinc/06/65/83/327066583.db2.gz SHXRQYRIOJFWAE-QZTJIDSGSA-N 1 0 354.498 2.497 20 30 FEEDRO N#Cc1cccc(NCC(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)c1 ZINC000164445108 327070440 /nfs/dbraw/zinc/07/04/40/327070440.db2.gz RLIBGKWLLHVPCQ-UHFFFAOYSA-N 1 0 370.497 2.369 20 30 FEEDRO CN(CC1CCN(c2cc[nH+]cc2)CC1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000165946767 327080075 /nfs/dbraw/zinc/08/00/75/327080075.db2.gz UOVPTCSNJAAGSH-UHFFFAOYSA-N 1 0 370.478 2.490 20 30 FEEDRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+]Cc2ccc(OC)c(C#N)c2)c1 ZINC000174341441 327321260 /nfs/dbraw/zinc/32/12/60/327321260.db2.gz DCIWHIJYGJPKDY-ZDUSSCGKSA-N 1 0 359.451 2.326 20 30 FEEDRO N#Cc1ccc(C[NH2+]CCCC(=O)N2CCN(c3ccccc3)CC2)o1 ZINC000174413334 327325892 /nfs/dbraw/zinc/32/58/92/327325892.db2.gz BQTDVCXBKXTSME-UHFFFAOYSA-N 1 0 352.438 2.370 20 30 FEEDRO Cc1cccc(NC(=O)C(=O)NC[C@H](c2ccccc2)[NH+](C)C)c1C#N ZINC000174562571 327335226 /nfs/dbraw/zinc/33/52/26/327335226.db2.gz AMCYCGZJSZNBOT-GOSISDBHSA-N 1 0 350.422 2.224 20 30 FEEDRO Cc1c(C#N)cccc1NC(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000178555045 327592131 /nfs/dbraw/zinc/59/21/31/327592131.db2.gz INXWMAHGIOQQJZ-UHFFFAOYSA-N 1 0 364.453 2.335 20 30 FEEDRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(c2c(C#N)nnc3ccccc32)CC1 ZINC000265846596 329166103 /nfs/dbraw/zinc/16/61/03/329166103.db2.gz PAVRRHBNCYAAQK-IAGOWNOFSA-N 1 0 364.497 2.496 20 30 FEEDRO N#Cc1cccc(OCCCCC(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000266206319 329200218 /nfs/dbraw/zinc/20/02/18/329200218.db2.gz INUUZYBCQLDWHG-IBGZPJMESA-N 1 0 371.481 2.288 20 30 FEEDRO N#Cc1ccc(NC(=O)C(=O)N2CC[NH+](C3CCCCC3)CC2)c(F)c1 ZINC000269333839 329508635 /nfs/dbraw/zinc/50/86/35/329508635.db2.gz NIUAQEPWCAEVPM-UHFFFAOYSA-N 1 0 358.417 2.113 20 30 FEEDRO CC(C)[NH+]1CCC(N2CCN(CCOc3ccccc3C#N)CC2)CC1 ZINC000269664357 329538414 /nfs/dbraw/zinc/53/84/14/329538414.db2.gz PNJHNBJKDXMWEE-UHFFFAOYSA-N 1 0 356.514 2.427 20 30 FEEDRO CN(C)[C@]1(C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)CCSC1 ZINC000272306769 329769055 /nfs/dbraw/zinc/76/90/55/329769055.db2.gz OGGWDEAHWNYWCB-IBGZPJMESA-N 1 0 355.511 2.486 20 30 FEEDRO Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1[NH2+]CC(=O)Nc1oc(C)c(C)c1C#N ZINC000275263725 330028131 /nfs/dbraw/zinc/02/81/31/330028131.db2.gz IDJRVBWWCBYWRS-YJBOKZPZSA-N 1 0 371.441 2.177 20 30 FEEDRO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1cc(C#N)ccc1Cl ZINC000276176174 330126418 /nfs/dbraw/zinc/12/64/18/330126418.db2.gz LOYFBUNPEURHOX-KBPBESRZSA-N 1 0 360.845 2.235 20 30 FEEDRO C[C@H](CO)[N@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)C1CCCC1 ZINC000276260452 330134385 /nfs/dbraw/zinc/13/43/85/330134385.db2.gz AZBMDZMGADHFCU-OAHLLOKOSA-N 1 0 367.453 2.308 20 30 FEEDRO C[C@@H](CO)[N@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)C1CCCC1 ZINC000276260448 330134455 /nfs/dbraw/zinc/13/44/55/330134455.db2.gz AZBMDZMGADHFCU-HNNXBMFYSA-N 1 0 367.453 2.308 20 30 FEEDRO Cc1nc(C#N)c(N2CCC(C(=O)N3CC[C@@H](C[NH+]4CCCC4)C3)CC2)o1 ZINC000276466647 330155224 /nfs/dbraw/zinc/15/52/24/330155224.db2.gz PPVCJQHLMZSSPN-INIZCTEOSA-N 1 0 371.485 2.015 20 30 FEEDRO CCC[N@H+](CC)CCNC(=O)[C@H]1CCCN(c2nc(C)ccc2C#N)C1 ZINC000377929929 330252413 /nfs/dbraw/zinc/25/24/13/330252413.db2.gz AZNBBFNGENLDPY-SFHVURJKSA-N 1 0 357.502 2.326 20 30 FEEDRO C[C@@]1(CNS(=O)(=O)c2ccc(C#N)o2)CC[N@H+](Cc2ccccc2)C1 ZINC000805086610 674318092 /nfs/dbraw/zinc/31/80/92/674318092.db2.gz DGDULCIDABTVJC-SFHVURJKSA-N 1 0 359.451 2.342 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCCc2cccc(Cl)c2)CC1 ZINC000555717866 674373462 /nfs/dbraw/zinc/37/34/62/674373462.db2.gz BVSYFTRXYWXVLK-UHFFFAOYSA-N 1 0 363.889 2.155 20 30 FEEDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2cc(C#N)ccc2Cl)C1 ZINC000155595603 545546495 /nfs/dbraw/zinc/54/64/95/545546495.db2.gz IUAUOPVILSWOCK-AWEZNQCLSA-N 1 0 362.861 2.387 20 30 FEEDRO C[C@@H]1CN(c2nccnc2C#N)CCN1CCC(=O)Nc1ccc(F)cc1 ZINC000155683397 545557831 /nfs/dbraw/zinc/55/78/31/545557831.db2.gz NZQUTJXKCHLHJX-CQSZACIVSA-N 1 0 368.416 2.027 20 30 FEEDRO C[NH+]=C(NCc1c(C)noc1C)NC[C@H](C)N1CCc2sccc2C1 ZINC000156089944 545598845 /nfs/dbraw/zinc/59/88/45/545598845.db2.gz LLLFIMUFRFTPSF-LBPRGKRZSA-N 1 0 361.515 2.465 20 30 FEEDRO CC[NH+]=C(NCCc1c[nH]c2c1cccc2C)N[C@@H]1CCc2ncnn2C1 ZINC000156372927 545622345 /nfs/dbraw/zinc/62/23/45/545622345.db2.gz MTMKBAYWMHRLLE-MRXNPFEDSA-N 1 0 365.485 2.180 20 30 FEEDRO CC(=O)N1CC[C@@H](C[N@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000156499169 545632057 /nfs/dbraw/zinc/63/20/57/545632057.db2.gz WQDKSDCTDOGWJK-AWEZNQCLSA-N 1 0 374.510 2.237 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)NCc2ccc(C)cc2O[C@@H]2CCOC2)CC1 ZINC000156742146 545654811 /nfs/dbraw/zinc/65/48/11/545654811.db2.gz NIZZZGQHOKHINC-LJQANCHMSA-N 1 0 356.466 2.124 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N2CCC[C@H](Oc3ccc(Cl)cn3)C2)CC1 ZINC000158116280 545824925 /nfs/dbraw/zinc/82/49/25/545824925.db2.gz MLQBJQJHKNRUBC-KRWDZBQOSA-N 1 0 361.873 2.450 20 30 FEEDRO C#CCCCCNC(=O)C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000159135653 545924759 /nfs/dbraw/zinc/92/47/59/545924759.db2.gz DBSIHBIUWOLMFX-UHFFFAOYSA-N 1 0 373.522 2.136 20 30 FEEDRO C=CC[C@H](C)[C@H](C)[NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000159735225 545976482 /nfs/dbraw/zinc/97/64/82/545976482.db2.gz QLUUKAIVFUCRDQ-HOTGVXAUSA-N 1 0 352.500 2.398 20 30 FEEDRO COc1ccccc1CNC(=[NH2+])NCC[C@@H](C)NC(=O)OC(C)(C)C ZINC000170914375 546182494 /nfs/dbraw/zinc/18/24/94/546182494.db2.gz MZJDLISXQUTOBH-CYBMUJFWSA-N 1 0 350.463 2.403 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)NCC(=O)N2CCCc3ccccc32)CC1 ZINC000171556950 546214008 /nfs/dbraw/zinc/21/40/08/546214008.db2.gz WVQRXXKAIDKEGK-UHFFFAOYSA-N 1 0 370.497 2.306 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC[C@H](C2OCCO2)C1)C(C)C ZINC000171628330 546216060 /nfs/dbraw/zinc/21/60/60/546216060.db2.gz VNWNXUNJEVEZIF-ZWKOTPCHSA-N 1 0 365.518 2.480 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)NC2CCN(C(=O)C(CC)CC)CC2)CC1 ZINC000171719483 546220183 /nfs/dbraw/zinc/22/01/83/546220183.db2.gz QYURLCVQWRMBSH-UHFFFAOYSA-N 1 0 364.534 2.363 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)CCC(=O)N2CCc3sccc3C2)CC1 ZINC000171715939 546221050 /nfs/dbraw/zinc/22/10/50/546221050.db2.gz OKUJCOPGXPBCFZ-UHFFFAOYSA-N 1 0 361.511 2.180 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)[C@@H]2CC(=O)N(c3ccccc3CC)C2)CC1 ZINC000171726516 546221781 /nfs/dbraw/zinc/22/17/81/546221781.db2.gz MTSSXTDKRCIKIZ-QGZVFWFLSA-N 1 0 355.482 2.369 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)[C@H]2CC(=O)N(c3ccccc3OCC)C2)CC1 ZINC000171726904 546222288 /nfs/dbraw/zinc/22/22/88/546222288.db2.gz QWDCIHMXROLBPT-INIZCTEOSA-N 1 0 371.481 2.205 20 30 FEEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCC[NH+]1CCCC1 ZINC000172303517 546245733 /nfs/dbraw/zinc/24/57/33/546245733.db2.gz YMBFEZMMURCJTQ-AWEZNQCLSA-N 1 0 360.483 2.231 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc3oc(C4CC4)nc3c2)CC1 ZINC000173270895 546277066 /nfs/dbraw/zinc/27/70/66/546277066.db2.gz YEQJDCNQSLYEMB-UHFFFAOYSA-N 1 0 368.437 2.410 20 30 FEEDRO CCC(CC)C[N@H+](CCC#N)C[C@@H](O)CN1C(=O)c2ccccc2C1=O ZINC000173554494 546282673 /nfs/dbraw/zinc/28/26/73/546282673.db2.gz RTGDTPKRBXTEDM-MRXNPFEDSA-N 1 0 357.454 2.295 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N(CC)CC2CCN(c3ccccn3)CC2)CC1 ZINC000174897796 546304585 /nfs/dbraw/zinc/30/45/85/546304585.db2.gz AOMDBSJTVAMQHZ-UHFFFAOYSA-N 1 0 368.525 2.492 20 30 FEEDRO Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@H](CC(N)=O)C2)cc1C ZINC000175205361 546306872 /nfs/dbraw/zinc/30/68/72/546306872.db2.gz JPLKSLIOHICQMF-QGZVFWFLSA-N 1 0 356.470 2.138 20 30 FEEDRO CN1CC[N@H+](CCCNC(=O)NCC(C)(C)C#N)[C@@H](c2ccccc2)C1 ZINC000479820268 561197562 /nfs/dbraw/zinc/19/75/62/561197562.db2.gz XIIVBKCWSXWQEO-GOSISDBHSA-N 1 0 357.502 2.214 20 30 FEEDRO CSc1c(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)cnn1C ZINC000479907156 561199241 /nfs/dbraw/zinc/19/92/41/561199241.db2.gz AYNVVJSDTYJEEN-UHFFFAOYSA-N 1 0 357.483 2.218 20 30 FEEDRO CCC[N@H+](CC)CCNC(=O)C(=O)Nc1ccccc1SCCC#N ZINC000176219469 546420876 /nfs/dbraw/zinc/42/08/76/546420876.db2.gz XXHJOQFVYDJXGZ-UHFFFAOYSA-N 1 0 362.499 2.479 20 30 FEEDRO COc1ccc(CCNC(=[NH2+])NCC2(CCO)CCCCC2)cc1OC ZINC000176948275 546514148 /nfs/dbraw/zinc/51/41/48/546514148.db2.gz CRHNGOFXFUNBFO-UHFFFAOYSA-N 1 0 363.502 2.484 20 30 FEEDRO C[NH+](C)CCN(C1CCCC1)S(=O)(=O)Cc1ccc(C#N)cc1F ZINC000480718636 561215165 /nfs/dbraw/zinc/21/51/65/561215165.db2.gz WLWUFTHVAKHGOP-UHFFFAOYSA-N 1 0 353.463 2.333 20 30 FEEDRO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)/C=C/c2ccc(OCC#N)cc2)CC1 ZINC000177443393 546619964 /nfs/dbraw/zinc/61/99/64/546619964.db2.gz YMXYRUSOWAZVHO-JZLODUJNSA-N 1 0 371.481 2.153 20 30 FEEDRO CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000177591441 546650339 /nfs/dbraw/zinc/65/03/39/546650339.db2.gz MLUBFLONHPFBMN-WMZOPIPTSA-N 1 0 351.491 2.045 20 30 FEEDRO [NH2+]=C(NCCN1CCN(c2cccc(Cl)c2)CC1)Nc1ccccn1 ZINC000178148994 546746826 /nfs/dbraw/zinc/74/68/26/546746826.db2.gz YGPCEIMTUMOMKL-UHFFFAOYSA-N 1 0 358.877 2.284 20 30 FEEDRO C=CC[C@H](CO)C[NH2+][C@@H](CC)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481678199 561238483 /nfs/dbraw/zinc/23/84/83/561238483.db2.gz PHERRGJVFIZVTQ-WFASDCNBSA-N 1 0 360.907 2.473 20 30 FEEDRO CC(C)[C@H](C#N)N1CCN(C(=O)C[NH2+][C@H](c2ccccc2)C2CC2)CC1 ZINC000179692707 547000100 /nfs/dbraw/zinc/00/01/00/547000100.db2.gz NBIHQRJAXBXWSF-PZJWPPBQSA-N 1 0 354.498 2.420 20 30 FEEDRO Cn1cc(C[NH+]2CCC(NC(=O)C3CC3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000179906753 547026953 /nfs/dbraw/zinc/02/69/53/547026953.db2.gz AZGHYHQKSAAUPI-UHFFFAOYSA-N 1 0 363.465 2.449 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N2CCC(n3ccc(C(F)(F)F)n3)CC2)CC1 ZINC000179916354 547028886 /nfs/dbraw/zinc/02/88/86/547028886.db2.gz PCKPKNIQGSAGPV-UHFFFAOYSA-N 1 0 368.403 2.411 20 30 FEEDRO CC(C)C(=O)N1CCC([NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000179970379 547034849 /nfs/dbraw/zinc/03/48/49/547034849.db2.gz UCENKWDJXZHMRZ-LJQANCHMSA-N 1 0 368.481 2.290 20 30 FEEDRO C[C@H](NC(=O)C(=O)Nc1cccc(C#N)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000180413672 547104017 /nfs/dbraw/zinc/10/40/17/547104017.db2.gz ZZWVIJNWKLOPJQ-GOEBONIOSA-N 1 0 354.454 2.266 20 30 FEEDRO O=C(NCC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)C1N=CC=CC1=O ZINC000180870118 547199343 /nfs/dbraw/zinc/19/93/43/547199343.db2.gz HDUBNACMFQVEBS-RAJOGRCSSA-N 1 0 370.409 2.032 20 30 FEEDRO Cc1ccc(NC(=O)C[C@@H](C)[NH2+]CCNC(=O)C2N=CC=CC2=O)c(C)c1 ZINC000180879829 547200878 /nfs/dbraw/zinc/20/08/78/547200878.db2.gz KQAPDGHYWIDQOD-MVZUJROASA-N 1 0 370.453 2.137 20 30 FEEDRO C=CCCC[C@H](C)NC(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000180944099 547216407 /nfs/dbraw/zinc/21/64/07/547216407.db2.gz JVZXFAMRAVPVSO-KRWDZBQOSA-N 1 0 372.513 2.234 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)[C@@](N)(c2ccccc2OC)C(F)(F)F)CC1 ZINC000483072226 561266584 /nfs/dbraw/zinc/26/65/84/561266584.db2.gz FYZRFKVWQFMDAX-KRWDZBQOSA-N 1 0 371.403 2.178 20 30 FEEDRO COc1c[nH+]ccc1N1CCN(CCC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000483209126 561270596 /nfs/dbraw/zinc/27/05/96/561270596.db2.gz JKUHITBATRTOBP-UHFFFAOYSA-N 1 0 365.437 2.113 20 30 FEEDRO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000181275430 547283690 /nfs/dbraw/zinc/28/36/90/547283690.db2.gz XYYHEEWBTRHZFQ-GJZGRUSLSA-N 1 0 358.442 2.302 20 30 FEEDRO C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)NCCC[NH+]1CCCCCC1 ZINC000181652099 547352997 /nfs/dbraw/zinc/35/29/97/547352997.db2.gz RRIDHSFYCBNCFA-MRXNPFEDSA-N 1 0 372.469 2.298 20 30 FEEDRO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1CCCCC(=O)OC(C)(C)C ZINC000181995758 547419778 /nfs/dbraw/zinc/41/97/78/547419778.db2.gz OIIHCNGGLNWLIT-OAHLLOKOSA-N 1 0 359.474 2.371 20 30 FEEDRO COc1ccc([C@@H](CCO)[NH2+]CC(=O)Nc2oc(C)c(C)c2C#N)cc1 ZINC000182393468 547484033 /nfs/dbraw/zinc/48/40/33/547484033.db2.gz UFTFTNBBWQWNHA-QGZVFWFLSA-N 1 0 357.410 2.429 20 30 FEEDRO N#Cc1ccc(N2CCC[C@@H]([NH+]3CCC(C4OCCO4)CC3)C2=O)cc1 ZINC000182738505 547544657 /nfs/dbraw/zinc/54/46/57/547544657.db2.gz PORWUSMOGCXIKZ-GOSISDBHSA-N 1 0 355.438 2.139 20 30 FEEDRO CNC(=O)[C@@H]([NH2+]CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1)C(C)C ZINC000183685749 547701349 /nfs/dbraw/zinc/70/13/49/547701349.db2.gz PMPBGSOGJMHGQF-KRWDZBQOSA-N 1 0 364.877 2.255 20 30 FEEDRO CC(C)(C)OC(=O)[C@](C)(O)C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000484744415 561305162 /nfs/dbraw/zinc/30/51/62/561305162.db2.gz YWTVSBAGEYJCBL-OAQYLSRUSA-N 1 0 373.497 2.205 20 30 FEEDRO CCOc1ccc(C#N)cc1NC(=O)N[C@H](C)CC[NH+]1CCN(C)CC1 ZINC000184220279 547789753 /nfs/dbraw/zinc/78/97/53/547789753.db2.gz HAGKPDBIBWNVKZ-OAHLLOKOSA-N 1 0 359.474 2.104 20 30 FEEDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000184602395 547852596 /nfs/dbraw/zinc/85/25/96/547852596.db2.gz ATFZXXZBFSYSOJ-LSDHHAIUSA-N 1 0 367.457 2.381 20 30 FEEDRO COc1cc(C#N)ccc1S(=O)(=O)N(CC[NH+](C)C)Cc1ccccc1 ZINC000185408894 547980670 /nfs/dbraw/zinc/98/06/70/547980670.db2.gz YPUSBQWPUBUKTO-UHFFFAOYSA-N 1 0 373.478 2.319 20 30 FEEDRO Cc1c(-c2cc(CO[NH+]=C(N)c3ccc(N(C)C)cc3)on2)cnn1C ZINC000185811309 548038422 /nfs/dbraw/zinc/03/84/22/548038422.db2.gz XOPVHEGXFGBYLC-UHFFFAOYSA-N 1 0 354.414 2.287 20 30 FEEDRO C=CCN(c1ccccc1)S(=O)(=O)c1c(C)nn(CC[NH+](C)C)c1C ZINC000186601212 548156389 /nfs/dbraw/zinc/15/63/89/548156389.db2.gz SDIPWJDEUCBJIG-UHFFFAOYSA-N 1 0 362.499 2.443 20 30 FEEDRO N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CC[C@@]3(C2)OCc2ccccc23)cc1 ZINC000186674093 548171870 /nfs/dbraw/zinc/17/18/70/548171870.db2.gz YWVGKTLLRLKWAG-RXVVDRJESA-N 1 0 350.418 2.429 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)NCc2cc(COC(C)(C)C)on2)CC1 ZINC000186905747 548216644 /nfs/dbraw/zinc/21/66/44/548216644.db2.gz QXBNZXNEANIEMU-UHFFFAOYSA-N 1 0 350.463 2.439 20 30 FEEDRO C[NH+](C)[C@@H](CNC(=O)N1CCO[C@@H](C#N)C1)c1cccc(C(F)(F)F)c1 ZINC000187468257 548258572 /nfs/dbraw/zinc/25/85/72/548258572.db2.gz QYZNUZCFMQBMMP-GJZGRUSLSA-N 1 0 370.375 2.242 20 30 FEEDRO C=C[C@@](C)(CCOC)C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000188761318 548286994 /nfs/dbraw/zinc/28/69/94/548286994.db2.gz VLLCJDHLBZZNDL-CTNGQTDRSA-N 1 0 360.498 2.488 20 30 FEEDRO CCOC(=O)N1CCC(NC(=[NH2+])NCCc2ccc(F)c(F)c2)CC1 ZINC000189055162 548294169 /nfs/dbraw/zinc/29/41/69/548294169.db2.gz ISUYHAWJYUYTHR-UHFFFAOYSA-N 1 0 354.401 2.033 20 30 FEEDRO C=CCN(C(=O)CC1CC[NH+](C)CC1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000486211644 561341244 /nfs/dbraw/zinc/34/12/44/561341244.db2.gz FRGIBSPFBGCKLW-INIZCTEOSA-N 1 0 368.485 2.470 20 30 FEEDRO C#CCOc1ccc([C@H](C)[NH2+]Cc2ccc(S(=O)(=O)CCO)cc2)cc1 ZINC000189164473 548297544 /nfs/dbraw/zinc/29/75/44/548297544.db2.gz DQVGZGROGMBSAR-INIZCTEOSA-N 1 0 373.474 2.315 20 30 FEEDRO C=C(C)CS(=O)(=O)N[C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000189554955 548304569 /nfs/dbraw/zinc/30/45/69/548304569.db2.gz OQIMNVMYYFVBFV-INIZCTEOSA-N 1 0 350.484 2.470 20 30 FEEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CC[NH+]2CCC1CC2 ZINC000189805791 548311608 /nfs/dbraw/zinc/31/16/08/548311608.db2.gz FWPOLDGNRUNVEK-AWEZNQCLSA-N 1 0 372.494 2.326 20 30 FEEDRO CCCC[NH+]1CCC(NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)CC1 ZINC000194959625 548556565 /nfs/dbraw/zinc/55/65/65/548556565.db2.gz FGWYEPZSZHRXPX-UHFFFAOYSA-N 1 0 370.501 2.049 20 30 FEEDRO CCCCCCCS(=O)(=O)N1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000195442680 548641370 /nfs/dbraw/zinc/64/13/70/548641370.db2.gz KABJENDYCLPALZ-SFHVURJKSA-N 1 0 359.580 2.389 20 30 FEEDRO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N ZINC000487429327 561369691 /nfs/dbraw/zinc/36/96/91/561369691.db2.gz JCOHAPDXMAOJCB-YOEHRIQHSA-N 1 0 354.454 2.406 20 30 FEEDRO C=CCN1C(=S)N=NC1c1sc(NC(=O)[C@H]2CC[C@@H]([NH3+])C2)nc1C ZINC000237671584 548843281 /nfs/dbraw/zinc/84/32/81/548843281.db2.gz ZOBJSKPNVNYJHT-VHSXEESVSA-N 1 0 364.500 2.251 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N[C@H]2CCCC[C@@H]2C[NH3+])cc1C(F)(F)F ZINC000237996556 548870937 /nfs/dbraw/zinc/87/09/37/548870937.db2.gz ZCRZXUJDLIRYMA-RISCZKNCSA-N 1 0 361.389 2.373 20 30 FEEDRO N#Cc1ccc(N2CCC([NH2+]Cc3cc4c(cc3O)OCO4)CC2)nc1 ZINC000238123707 548878489 /nfs/dbraw/zinc/87/84/89/548878489.db2.gz UDXAWIMCGDKZMN-UHFFFAOYSA-N 1 0 352.394 2.146 20 30 FEEDRO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000246486122 549143778 /nfs/dbraw/zinc/14/37/78/549143778.db2.gz AJNXPIYPTRJGPF-AGYKMIKPSA-N 1 0 372.517 2.309 20 30 FEEDRO C[C@H](Oc1ccccc1C#N)C(=O)NCCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000246554383 549159506 /nfs/dbraw/zinc/15/95/06/549159506.db2.gz UGYCCMUCAQFKNL-BBWFWOEESA-N 1 0 359.470 2.331 20 30 FEEDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)Cc2ccc(OCC#N)cc2)[C@@H](C)C1 ZINC000246718918 549195386 /nfs/dbraw/zinc/19/53/86/549195386.db2.gz GKCQRBNOWHIEPL-FXAWDEMLSA-N 1 0 373.497 2.385 20 30 FEEDRO C=CCn1cccc1C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000488973131 561400651 /nfs/dbraw/zinc/40/06/51/561400651.db2.gz BZYFZTDWOSDLNV-UHFFFAOYSA-N 1 0 354.410 2.396 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000247186069 549295749 /nfs/dbraw/zinc/29/57/49/549295749.db2.gz ZFMNROJQYFXJIR-IPMKNSEASA-N 1 0 370.497 2.445 20 30 FEEDRO Cc1ncc(S(=O)(=O)NC[C@H](C2CCCCC2)[NH+](C)C)cc1C#N ZINC000489111954 561403650 /nfs/dbraw/zinc/40/36/50/561403650.db2.gz BSOYXQYXUWTOHL-QGZVFWFLSA-N 1 0 350.488 2.051 20 30 FEEDRO Cc1cc([N+](=O)[O-])ccc1CN1CCN(c2nccnc2C#N)C[C@H]1C ZINC000248637033 549472616 /nfs/dbraw/zinc/47/26/16/549472616.db2.gz QOGJPWMXYXVBPM-CQSZACIVSA-N 1 0 352.398 2.276 20 30 FEEDRO N#Cc1ccc(N2CCC[C@H]([N@@H+]3CCS[C@@H]4COCC[C@@H]43)C2=O)cc1 ZINC000248732426 549492946 /nfs/dbraw/zinc/49/29/46/549492946.db2.gz JUOLYFLFSUAARE-OKZBNKHCSA-N 1 0 357.479 2.260 20 30 FEEDRO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NS(=O)(=O)c1cnc(C)c(C#N)c1 ZINC000489580501 561414836 /nfs/dbraw/zinc/41/48/36/561414836.db2.gz DGWQEHQSJKPAQX-MAUKXSAKSA-N 1 0 364.515 2.441 20 30 FEEDRO CCN(CC(=O)N[C@](C)(C#N)C1CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000248872468 549519304 /nfs/dbraw/zinc/51/93/04/549519304.db2.gz KTTXIBYVBHUOFX-PZJWPPBQSA-N 1 0 354.498 2.391 20 30 FEEDRO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000249112885 549554455 /nfs/dbraw/zinc/55/44/55/549554455.db2.gz AWTGBWBJXOOBJC-PBHICJAKSA-N 1 0 354.454 2.121 20 30 FEEDRO C[C@@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)[C@@H](C(N)=O)C1 ZINC000249560163 549605671 /nfs/dbraw/zinc/60/56/71/549605671.db2.gz LJIMTMYPTHHUJP-IUODEOHRSA-N 1 0 374.510 2.413 20 30 FEEDRO C=CCOc1cccc(NC(=O)C(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)c1 ZINC000250671167 549643843 /nfs/dbraw/zinc/64/38/43/549643843.db2.gz XHJAYNZGPCFRHK-HOTGVXAUSA-N 1 0 359.470 2.427 20 30 FEEDRO C=CCCCS(=O)(=O)N(C[C@@H](O)CC(C)(C)C)C1CC[NH+](C)CC1 ZINC000489897986 561421816 /nfs/dbraw/zinc/42/18/16/561421816.db2.gz RCWSJQLIWQWXHY-KRWDZBQOSA-N 1 0 360.564 2.476 20 30 FEEDRO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](c3nc(C(F)(F)F)cn3C)C2)C1=O ZINC000489932193 561422639 /nfs/dbraw/zinc/42/26/39/561422639.db2.gz IRBYAMDUUVVBGV-OLZOCXBDSA-N 1 0 356.392 2.405 20 30 FEEDRO C=CC[C@@H](C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)c1ccccc1 ZINC000253232696 549680347 /nfs/dbraw/zinc/68/03/47/549680347.db2.gz GCDFETAMMBYGRK-RTBURBONSA-N 1 0 355.482 2.111 20 30 FEEDRO C[NH+]=C(NC[C@H]1CCOC1)N[C@H]1CCN(c2cc(Cl)ccc2OC)C1 ZINC000261610671 549734103 /nfs/dbraw/zinc/73/41/03/549734103.db2.gz ARFGQNXDVHSCSW-HIFRSBDPSA-N 1 0 366.893 2.129 20 30 FEEDRO C[NH+]=C(NCc1nc(C(C)(C)C)cs1)N1CCC[C@@H](CC(N)=O)C1 ZINC000261737977 549749500 /nfs/dbraw/zinc/74/95/00/549749500.db2.gz KHBXPWFRKWDMSL-LBPRGKRZSA-N 1 0 351.520 2.103 20 30 FEEDRO C/[NH+]=C(/NCc1cn2ccsc2n1)N1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000261972143 549775343 /nfs/dbraw/zinc/77/53/43/549775343.db2.gz NBKDTRJFMAZPPP-UKRRQHHQSA-N 1 0 357.487 2.251 20 30 FEEDRO C[NH+]=C(NCCc1ccc(Cl)s1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261996014 549777964 /nfs/dbraw/zinc/77/79/64/549777964.db2.gz SLPJXDHVVAACIA-UHFFFAOYSA-N 1 0 363.936 2.028 20 30 FEEDRO N#Cc1cc(S(=O)(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)ccc1C(F)(F)F ZINC000262122741 549790697 /nfs/dbraw/zinc/79/06/97/549790697.db2.gz VWBYBEHBEXMGAH-GFCCVEGCSA-N 1 0 359.373 2.092 20 30 FEEDRO [NH2+]=C(NCC(=O)N1CCCc2ccccc21)N[C@H]1CCOc2ccccc21 ZINC000262339126 549812440 /nfs/dbraw/zinc/81/24/40/549812440.db2.gz AASNRIQIFAKJBD-KRWDZBQOSA-N 1 0 364.449 2.394 20 30 FEEDRO [NH2+]=C(NCCc1c[nH]c2cccc(Br)c12)N1CCOCC1 ZINC000262386310 549816052 /nfs/dbraw/zinc/81/60/52/549816052.db2.gz QBMGZHHNYGDDLV-UHFFFAOYSA-N 1 0 351.248 2.120 20 30 FEEDRO C[NH+]=C(N[C@@H]1[C@H]2CCO[C@@H]2C1(C)C)N[C@@H]1CCN(c2cccc(OC)c2)C1 ZINC000262384114 549816065 /nfs/dbraw/zinc/81/60/65/549816065.db2.gz KZHDUFLSTUUAJF-AXUOBQJMSA-N 1 0 372.513 2.252 20 30 FEEDRO CC[NH+]=C(NC[C@@]1(O)CCSC1)N1CC[C@@H](c2ccc(OC)cc2)C1 ZINC000262440585 549820008 /nfs/dbraw/zinc/82/00/08/549820008.db2.gz UNYLYZWKPSURAO-APWZRJJASA-N 1 0 363.527 2.318 20 30 FEEDRO [NH2+]=C(NC[C@H](c1ccccc1)C1CC1)N1CCN(c2ncccn2)CC1 ZINC000262663162 549836351 /nfs/dbraw/zinc/83/63/51/549836351.db2.gz ZZRSQRLNEVXBGJ-GOSISDBHSA-N 1 0 350.470 2.107 20 30 FEEDRO CCOC(=O)N1CCC(NC(=[NH2+])NCc2ccc3c(c2)CCCN3C)CC1 ZINC000264072897 549975366 /nfs/dbraw/zinc/97/53/66/549975366.db2.gz DPGUBVCCYDVIIS-UHFFFAOYSA-N 1 0 373.501 2.094 20 30 FEEDRO [NH2+]=C(NCCS(=O)(=O)NCc1ccccc1)Nc1ccc2c(c1)CCC2 ZINC000264080809 549976936 /nfs/dbraw/zinc/97/69/36/549976936.db2.gz HDJIPDSMRPRYSC-UHFFFAOYSA-N 1 0 372.494 2.022 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCc1noc(C2CC2)n1 ZINC000490962377 561441026 /nfs/dbraw/zinc/44/10/26/561441026.db2.gz VFTABHFVXFATLP-UHFFFAOYSA-N 1 0 368.441 2.092 20 30 FEEDRO COC[C@H](C)NC(=[NH2+])NC[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000264134227 549983248 /nfs/dbraw/zinc/98/32/48/549983248.db2.gz ZDHTXSVTVHMEEB-QWHCGFSZSA-N 1 0 369.307 2.215 20 30 FEEDRO C[C@@H](NC(=[NH2+])NC[C@@H]1CCS(=O)(=O)C1)c1ccc(Cl)cc1Cl ZINC000264132045 549983398 /nfs/dbraw/zinc/98/33/98/549983398.db2.gz UGWYHWJJBNPEMO-ZJUUUORDSA-N 1 0 364.298 2.393 20 30 FEEDRO CC(C)NS(=O)(=O)Cc1ccccc1CNC(=[NH2+])NC1CCCCC1 ZINC000264135944 549983908 /nfs/dbraw/zinc/98/39/08/549983908.db2.gz VCZGJEDIUKIHEP-UHFFFAOYSA-N 1 0 366.531 2.251 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)NC[C@@H]2CCN(c3cccc(OC)c3)C2)CC1 ZINC000264332318 549994551 /nfs/dbraw/zinc/99/45/51/549994551.db2.gz FOVVODWVNJGSAH-KRWDZBQOSA-N 1 0 372.513 2.471 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)Nc2ccccc2Sc2nncn2C)CC1 ZINC000264709039 550000456 /nfs/dbraw/zinc/00/04/56/550000456.db2.gz GAFJNBOPIDRNSH-UHFFFAOYSA-N 1 0 355.467 2.250 20 30 FEEDRO N#CCCN(C(=O)CCC(=O)N1CC[NH+](C2CCC2)CC1)c1ccccc1 ZINC000264996432 550004941 /nfs/dbraw/zinc/00/49/41/550004941.db2.gz RUDODQZHIIOFDG-UHFFFAOYSA-N 1 0 368.481 2.410 20 30 FEEDRO C=CC[C@@H](C)NC(=O)N1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000265841650 550014898 /nfs/dbraw/zinc/01/48/98/550014898.db2.gz XELRYOMOMZZBAC-QGZVFWFLSA-N 1 0 360.502 2.423 20 30 FEEDRO COc1ccc(C)cc1NC(=O)CON=C(N)c1ccc(C[NH+](C)C)cc1 ZINC000266997371 550026364 /nfs/dbraw/zinc/02/63/64/550026364.db2.gz FMQPGJVRWVDJHC-UHFFFAOYSA-N 1 0 370.453 2.341 20 30 FEEDRO CC(=O)N1CCC(CNC(=[NH2+])NCc2cccc(C(F)(F)F)c2)CC1 ZINC000267414253 550030957 /nfs/dbraw/zinc/03/09/57/550030957.db2.gz IVTHBEMIBRTOLF-UHFFFAOYSA-N 1 0 356.392 2.368 20 30 FEEDRO Cc1ccc(-n2nc(CCCNC(=[NH2+])NC3CCCC3)c(C#N)c2N)cc1 ZINC000267450382 550031576 /nfs/dbraw/zinc/03/15/76/550031576.db2.gz RELBQGWWABYFBV-UHFFFAOYSA-N 1 0 365.485 2.414 20 30 FEEDRO Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=[NH2+])NCCCN2CCOCC2)cc1 ZINC000267454516 550031832 /nfs/dbraw/zinc/03/18/32/550031832.db2.gz SLBAJFUGLDUFEI-UXHICEINSA-N 1 0 374.529 2.089 20 30 FEEDRO C#CCN(Cc1ccc(F)cc1)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000269245696 550171876 /nfs/dbraw/zinc/17/18/76/550171876.db2.gz IKCCTSAJQNQAFE-VQTJNVASSA-N 1 0 373.472 2.348 20 30 FEEDRO C=CCC[C@H](NC(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O)c1ccccc1 ZINC000269335445 550182530 /nfs/dbraw/zinc/18/25/30/550182530.db2.gz DJKAHVBLFWTHHU-ZWKOTPCHSA-N 1 0 358.486 2.333 20 30 FEEDRO N#Cc1cc(F)ccc1S(=O)(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000269682371 550216459 /nfs/dbraw/zinc/21/64/59/550216459.db2.gz SYMOKQGXYPOBDQ-UHFFFAOYSA-N 1 0 351.447 2.336 20 30 FEEDRO C[C@]1(CO)CCC[C@H]1[NH2+]CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000493709321 561457837 /nfs/dbraw/zinc/45/78/37/561457837.db2.gz QTLHCEBZIFDIRP-SJLPKXTDSA-N 1 0 368.399 2.314 20 30 FEEDRO CC(C)N1CC[NH+](C2CCN(c3c(C#N)nnc4ccccc43)CC2)CC1 ZINC000270435273 550272126 /nfs/dbraw/zinc/27/21/26/550272126.db2.gz CVMDMTRLZOCRIJ-UHFFFAOYSA-N 1 0 364.497 2.496 20 30 FEEDRO CC(=O)N1CCN(CC[NH2+]C2CCC(C#N)(c3ccccc3)CC2)CC1 ZINC000271062468 550336722 /nfs/dbraw/zinc/33/67/22/550336722.db2.gz HINVFYOKAMUGBK-UHFFFAOYSA-N 1 0 354.498 2.144 20 30 FEEDRO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[NH+]1CCC(CCC(N)=O)CC1 ZINC000271086245 550338909 /nfs/dbraw/zinc/33/89/09/550338909.db2.gz GKNGYDJQUROEQK-HNNXBMFYSA-N 1 0 374.460 2.438 20 30 FEEDRO C=C(C)CN(CC)C(=O)C[NH2+][C@H]1CC(=O)N(C)[C@H]1c1ccc(F)c(F)c1 ZINC000494245360 561465633 /nfs/dbraw/zinc/46/56/33/561465633.db2.gz QKPDRBCLUJVGGX-LPHOPBHVSA-N 1 0 365.424 2.251 20 30 FEEDRO COc1cc([C@@H](C)[NH2+]CC(=O)N(CCC#N)CCC#N)cc(OC)c1OC ZINC000271741391 550398965 /nfs/dbraw/zinc/39/89/65/550398965.db2.gz ITVWFDFYERFWEA-CQSZACIVSA-N 1 0 374.441 2.019 20 30 FEEDRO C#Cc1cc(F)c(NC(=O)C(=O)NC2CC[NH+](CCCC)CC2)c(F)c1 ZINC000271763257 550400114 /nfs/dbraw/zinc/40/01/14/550400114.db2.gz GQNSHKYPGKGFKC-UHFFFAOYSA-N 1 0 363.408 2.265 20 30 FEEDRO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@H](C)c1cc(OC)c(OC)c(OC)c1 ZINC000271826065 550404485 /nfs/dbraw/zinc/40/44/85/550404485.db2.gz WHVBLPXESIOMER-UONOGXRCSA-N 1 0 363.458 2.371 20 30 FEEDRO C[C@@H](NC(=O)C(=O)Nc1ccc(C#N)cc1F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000272937473 550477336 /nfs/dbraw/zinc/47/73/36/550477336.db2.gz NJYDDOZEVXERSL-UKRRQHHQSA-N 1 0 372.444 2.405 20 30 FEEDRO C=CCc1ccc(OC[C@@H](O)C[NH2+][C@H](CO)c2ccccc2)c(OC)c1 ZINC000273082334 550484285 /nfs/dbraw/zinc/48/42/85/550484285.db2.gz HSEZIYALUIHQPN-RBUKOAKNSA-N 1 0 357.450 2.487 20 30 FEEDRO C#CCOc1cccc(NC(=O)C(=O)NCC[C@@H](C)[NH+]2CCCCC2)c1 ZINC000273093820 550484980 /nfs/dbraw/zinc/48/49/80/550484980.db2.gz FVRRXGKJLDFQRU-MRXNPFEDSA-N 1 0 357.454 2.018 20 30 FEEDRO C=CCCc1nc(-c2ccc(S(=O)(=O)NCCC[NH+](C)C)cc2)no1 ZINC000273874439 550514364 /nfs/dbraw/zinc/51/43/64/550514364.db2.gz GFKUBWVVQCKQEG-UHFFFAOYSA-N 1 0 364.471 2.085 20 30 FEEDRO CN(C)C1(C#N)CCN(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)CC1 ZINC000275009366 550569983 /nfs/dbraw/zinc/56/99/83/550569983.db2.gz DWZXJZWESUEBGL-MSOLQXFVSA-N 1 0 355.486 2.061 20 30 FEEDRO COCCCN(CCO)CC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000275424019 550572144 /nfs/dbraw/zinc/57/21/44/550572144.db2.gz IAKWYFMKHHQPGM-HNNXBMFYSA-N 1 0 365.499 2.350 20 30 FEEDRO C[C@@H](CC#N)N(C)C(=O)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000275783736 550574323 /nfs/dbraw/zinc/57/43/23/550574323.db2.gz AVSYROZPICUYPZ-INIZCTEOSA-N 1 0 356.470 2.414 20 30 FEEDRO C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000276725484 550589480 /nfs/dbraw/zinc/58/94/80/550589480.db2.gz CJLNYYAEVDXENJ-HNNXBMFYSA-N 1 0 372.469 2.154 20 30 FEEDRO C#CCC(CC#C)C(=O)NCCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000277409739 550667051 /nfs/dbraw/zinc/66/70/51/550667051.db2.gz LOECVCYTUIOVGR-UHFFFAOYSA-N 1 0 351.494 2.286 20 30 FEEDRO C=C[C@H]1CCCCN1C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000494907949 561479090 /nfs/dbraw/zinc/47/90/90/561479090.db2.gz JZNZQESKQWAMOH-SFHVURJKSA-N 1 0 372.517 2.129 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N[C@H](C)c2nc(-c3cc(C)ccn3)n[nH]2)CC1 ZINC000278386560 550779884 /nfs/dbraw/zinc/77/98/84/550779884.db2.gz DJUPLKJGBFQANH-CQSZACIVSA-N 1 0 369.473 2.186 20 30 FEEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CC[C@]3(CNC(=O)C3)C2)c1 ZINC000278876926 550831714 /nfs/dbraw/zinc/83/17/14/550831714.db2.gz MQPUARQKIGHWEV-UTKZUKDTSA-N 1 0 368.481 2.151 20 30 FEEDRO C[C@H]1C[NH+](CCCNC(=O)c2cc(-c3cccc(C#N)c3)no2)C[C@H](C)O1 ZINC000278898092 550833746 /nfs/dbraw/zinc/83/37/46/550833746.db2.gz FJTMNLCEZSKZLJ-GJZGRUSLSA-N 1 0 368.437 2.442 20 30 FEEDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(C)(C)Oc1ccc(C#N)cc1 ZINC000278901361 550833983 /nfs/dbraw/zinc/83/39/83/550833983.db2.gz RRJDKRZDFWZPJT-MRXNPFEDSA-N 1 0 371.481 2.427 20 30 FEEDRO C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000278918092 550835679 /nfs/dbraw/zinc/83/56/79/550835679.db2.gz UNZKSNJBJPLWRZ-HZPDHXFCSA-N 1 0 357.454 2.037 20 30 FEEDRO Cn1cc(C[NH2+]CC2(S(C)(=O)=O)CCC2)c(-c2ccc(C#N)cc2)n1 ZINC000279911250 550942157 /nfs/dbraw/zinc/94/21/57/550942157.db2.gz WRJUZFHBFHMOSI-UHFFFAOYSA-N 1 0 358.467 2.016 20 30 FEEDRO C=CCN1CC[C@H](N(C)C(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1=O ZINC000281122905 551065987 /nfs/dbraw/zinc/06/59/87/551065987.db2.gz BKVCOPAHMUZKNA-MOPGFXCFSA-N 1 0 355.482 2.144 20 30 FEEDRO C=CCN1CC[C@H](N(C)C(=O)C2CC[NH+](Cc3ccccc3)CC2)C1=O ZINC000281351763 551087385 /nfs/dbraw/zinc/08/73/85/551087385.db2.gz MDZNTRUEQCBOAL-IBGZPJMESA-N 1 0 355.482 2.144 20 30 FEEDRO C=CCN1CC[C@H]([N@H+](C)C[C@H](O)COc2cccc(C(F)(F)F)c2)C1=O ZINC000281500485 551105680 /nfs/dbraw/zinc/10/56/80/551105680.db2.gz XZLFUFIJULRGQC-HOCLYGCPSA-N 1 0 372.387 2.164 20 30 FEEDRO COc1cc(C[NH2+]Cc2ccc(S(=O)(=O)N(C)C)cc2)ccc1C#N ZINC000281621303 551121416 /nfs/dbraw/zinc/12/14/16/551121416.db2.gz HLJCWJVXFDUHPF-UHFFFAOYSA-N 1 0 359.451 2.107 20 30 FEEDRO CS(=O)(=O)C[C@H]([NH2+]CCCC1(C#N)CCOCC1)c1ccccc1 ZINC000282134221 551185129 /nfs/dbraw/zinc/18/51/29/551185129.db2.gz ZBVCMBZSRMEWSB-KRWDZBQOSA-N 1 0 350.484 2.462 20 30 FEEDRO CC(C)SCCON=C(N)c1ccccc1C[NH+]1CCC(O)CC1 ZINC000282188309 551192298 /nfs/dbraw/zinc/19/22/98/551192298.db2.gz HANYPHXDIFJERO-UHFFFAOYSA-N 1 0 351.516 2.422 20 30 FEEDRO CC[NH+]1CCC(NS(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)CC1 ZINC000282330453 551212599 /nfs/dbraw/zinc/21/25/99/551212599.db2.gz ZAAKOJLRBHNYHZ-UHFFFAOYSA-N 1 0 361.389 2.340 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)[C@](N)(c2cccc(F)c2)C(F)(F)F)CC1 ZINC000497483555 561501666 /nfs/dbraw/zinc/50/16/66/561501666.db2.gz RXSUZSDHYPDRSJ-MRXNPFEDSA-N 1 0 359.367 2.309 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N[C@@H](C)c1cccnc1)C(C)C ZINC000283226162 551332517 /nfs/dbraw/zinc/33/25/17/551332517.db2.gz VEDVUJNTLIXQQU-FUHWJXTLSA-N 1 0 358.486 2.074 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCc2nc3ccccc3s2)CC1 ZINC000283478842 551373516 /nfs/dbraw/zinc/37/35/16/551373516.db2.gz OGQLDVYWZNQPSL-UHFFFAOYSA-N 1 0 372.494 2.069 20 30 FEEDRO C[C@H](NC(=O)C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(C#N)cc1 ZINC000283531150 551382810 /nfs/dbraw/zinc/38/28/10/551382810.db2.gz DDYDHGXIUCZUCP-BBWFWOEESA-N 1 0 370.497 2.220 20 30 FEEDRO C=CCCCNC(=O)C(=O)NC[C@@H](c1ccccc1OC)[NH+]1CCCC1 ZINC000283570351 551389532 /nfs/dbraw/zinc/38/95/32/551389532.db2.gz UGUGTRFHBZEPHQ-KRWDZBQOSA-N 1 0 359.470 2.031 20 30 FEEDRO C#Cc1cc(F)c(NC(=O)C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)c(F)c1 ZINC000283575536 551390521 /nfs/dbraw/zinc/39/05/21/551390521.db2.gz JTPUXEGTMFMQEH-AWEZNQCLSA-N 1 0 361.392 2.018 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)c2ccc(F)cc2F)CC1 ZINC000283631445 551400224 /nfs/dbraw/zinc/40/02/24/551400224.db2.gz YBEXUXUPBWYCOD-ZDUSSCGKSA-N 1 0 365.424 2.299 20 30 FEEDRO C=C(C)Cn1c(-c2cccnc2)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000283705597 551412972 /nfs/dbraw/zinc/41/29/72/551412972.db2.gz VRDXPUJUSWKDKR-KRWDZBQOSA-N 1 0 368.485 2.075 20 30 FEEDRO COc1ccc([C@H](CNC(=O)Cn2ccnc2C#N)[NH+]2CCCCC2)cc1 ZINC000283766474 551424289 /nfs/dbraw/zinc/42/42/89/551424289.db2.gz BHUBLHMOWPJMNP-SFHVURJKSA-N 1 0 367.453 2.107 20 30 FEEDRO CCOC(=O)N1CCC(NC(=[NH2+])NCCc2cccc3[nH]ccc32)CC1 ZINC000283821439 551432685 /nfs/dbraw/zinc/43/26/85/551432685.db2.gz PZELVCJWUDIXPA-UHFFFAOYSA-N 1 0 357.458 2.236 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cnc(C(=O)OC(C)(C)C)cn2)CC1 ZINC000283838443 551435801 /nfs/dbraw/zinc/43/58/01/551435801.db2.gz GOAVXMOZXMXBDT-UHFFFAOYSA-N 1 0 360.458 2.202 20 30 FEEDRO CC(C)N(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000283850844 551438186 /nfs/dbraw/zinc/43/81/86/551438186.db2.gz HNYVXNPYGUDKMD-KRWDZBQOSA-N 1 0 370.497 2.286 20 30 FEEDRO C[C@@H](NC(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)c1ccc(C#N)cc1 ZINC000284092628 551482119 /nfs/dbraw/zinc/48/21/19/551482119.db2.gz SREQYNFRQBSANT-PBHICJAKSA-N 1 0 358.486 2.218 20 30 FEEDRO C[C@H](NC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCCCC1)c1ccc(C#N)cc1 ZINC000284143890 551491793 /nfs/dbraw/zinc/49/17/93/551491793.db2.gz WTAUTPAXLNZGCG-QFBILLFUSA-N 1 0 368.481 2.212 20 30 FEEDRO C=CCN(Cc1ccccc1)C(=O)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000284295533 551517406 /nfs/dbraw/zinc/51/74/06/551517406.db2.gz YISFAUQOOVPFCQ-UHFFFAOYSA-N 1 0 355.482 2.192 20 30 FEEDRO C[NH+](C)[C@H]1CCN(c2ccc(NC(=O)c3ccc(F)c(C#N)c3)nc2)C1 ZINC000284339320 551527405 /nfs/dbraw/zinc/52/74/05/551527405.db2.gz XIURTRYFZBREOT-INIZCTEOSA-N 1 0 353.401 2.485 20 30 FEEDRO C[C@H](NC(=O)C(=O)NC[C@H](c1cccs1)[NH+](C)C)c1ccc(C#N)cc1 ZINC000284400389 551541284 /nfs/dbraw/zinc/54/12/84/551541284.db2.gz MZXXQIXRRIVLMG-XJKSGUPXSA-N 1 0 370.478 2.216 20 30 FEEDRO C=CCN(CCc1ccccc1)C(=O)C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000284981542 551682886 /nfs/dbraw/zinc/68/28/86/551682886.db2.gz SHRUQQNADWGVRS-UHFFFAOYSA-N 1 0 357.498 2.233 20 30 FEEDRO C=CCC[C@@H](NC(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccccc1 ZINC000285332244 551739765 /nfs/dbraw/zinc/73/97/65/551739765.db2.gz UJOBTSDOPLGXDD-QFBILLFUSA-N 1 0 355.482 2.411 20 30 FEEDRO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)c2cc(C#N)ccc2Cl)CC1 ZINC000285431037 551755365 /nfs/dbraw/zinc/75/53/65/551755365.db2.gz KQTSRZDSZPWGSK-INIZCTEOSA-N 1 0 360.889 2.454 20 30 FEEDRO CN(C)[C@@H](CNS(=O)(=O)CC1(C#N)CCCC1)c1ccc(F)cc1 ZINC000498849357 561535712 /nfs/dbraw/zinc/53/57/12/561535712.db2.gz IXRWLFQKQHKAMF-INIZCTEOSA-N 1 0 353.463 2.432 20 30 FEEDRO CC[NH+]1CCN([C@@H]2CCN(C(=O)C(C)(C)c3cc(F)cc(C#N)c3)C2)CC1 ZINC000285519088 551768886 /nfs/dbraw/zinc/76/88/86/551768886.db2.gz YZAMTMMBNLVJJI-LJQANCHMSA-N 1 0 372.488 2.213 20 30 FEEDRO C=C(C)CN(Cc1ccccc1)C(=O)C(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000498941604 561538711 /nfs/dbraw/zinc/53/87/11/561538711.db2.gz SUYZGUNJSGIQMM-UHFFFAOYSA-N 1 0 355.482 2.360 20 30 FEEDRO CN(CC1CC[NH+](C)CC1)C(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC000286006429 551837428 /nfs/dbraw/zinc/83/74/28/551837428.db2.gz DUABEZIVSZUHAD-QGZVFWFLSA-N 1 0 358.461 2.324 20 30 FEEDRO C[C@@H]1C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)C[C@H]1C(N)=O ZINC000286184645 551858621 /nfs/dbraw/zinc/85/86/21/551858621.db2.gz NEZPJNFCEDEHLE-LALPHHSUSA-N 1 0 374.510 2.126 20 30 FEEDRO N#Cc1ccc(N2CC[C@H](C(=O)N3CC[C@@H](C[NH+]4CCCC4)C3)C2)c(F)c1 ZINC000286215236 551862094 /nfs/dbraw/zinc/86/20/94/551862094.db2.gz LBLXPLWIKWYDQS-ROUUACIJSA-N 1 0 370.472 2.468 20 30 FEEDRO CNC(=O)CC[C@@H]1CCCC[N@@H+]1CC(=O)N(CCC#N)c1ccccc1 ZINC000286359886 551878542 /nfs/dbraw/zinc/87/85/42/551878542.db2.gz HKTZSMZAKHTWCH-KRWDZBQOSA-N 1 0 356.470 2.314 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H]2c2ccccc2C)CC1 ZINC000286372918 551879991 /nfs/dbraw/zinc/87/99/91/551879991.db2.gz CNEBYRIBQXLATK-IBGZPJMESA-N 1 0 355.482 2.425 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H]2Cc2ccc(C)cc2)CC1 ZINC000286412480 551884711 /nfs/dbraw/zinc/88/47/11/551884711.db2.gz FJJZWLITCNXEPS-HXUWFJFHSA-N 1 0 369.509 2.295 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2CCC([N@@H+]3CCc4ccccc4C3)CC2)o1 ZINC000286622257 551907392 /nfs/dbraw/zinc/90/73/92/551907392.db2.gz MREJDYZZITZZJY-UHFFFAOYSA-N 1 0 371.462 2.363 20 30 FEEDRO C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)C(=O)NCCCCC#N ZINC000286689588 551915019 /nfs/dbraw/zinc/91/50/19/551915019.db2.gz JGYQDSZRMNTHTD-UHFFFAOYSA-N 1 0 364.877 2.040 20 30 FEEDRO COc1cc(C#N)ccc1OCC[N@@H+]1CC[C@@H](C(F)(F)F)[C@H](CO)C1 ZINC000286763693 551923654 /nfs/dbraw/zinc/92/36/54/551923654.db2.gz ZLSMNACPJAEINK-UONOGXRCSA-N 1 0 358.360 2.438 20 30 FEEDRO C[C@H](CC#N)NC(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1c1cnn(C)c1 ZINC000286895411 551937569 /nfs/dbraw/zinc/93/75/69/551937569.db2.gz YUHQNXVDBXMEML-LZQZEXGQSA-N 1 0 351.454 2.054 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCO[C@]2(CCCOC2)C1)C(C)C ZINC000287032445 551954129 /nfs/dbraw/zinc/95/41/29/551954129.db2.gz HAXZCXAHXODUOU-AZUAARDMSA-N 1 0 365.518 2.276 20 30 FEEDRO C#CCCCCNC(=O)N1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000287191553 551974669 /nfs/dbraw/zinc/97/46/69/551974669.db2.gz UGVADTFKVNKSLQ-NRFANRHFSA-N 1 0 368.525 2.392 20 30 FEEDRO C=CCOc1ccccc1CNC(=O)C(=O)N(C)C1CC[NH+](CCC)CC1 ZINC000287201507 551975516 /nfs/dbraw/zinc/97/55/16/551975516.db2.gz FWRLAMGWVSIHCC-UHFFFAOYSA-N 1 0 373.497 2.200 20 30 FEEDRO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1C[C@H](O)Cc1cccc(Cl)c1 ZINC000287812634 552049826 /nfs/dbraw/zinc/04/98/26/552049826.db2.gz PHFKCAIBBXRNAB-RHSMWYFYSA-N 1 0 371.872 2.116 20 30 FEEDRO C=CCN(CCc1ccccc1)C(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000288084026 552087922 /nfs/dbraw/zinc/08/79/22/552087922.db2.gz LEJSFNBTLCXWLX-IHWFROFDSA-N 1 0 369.509 2.375 20 30 FEEDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000288190066 552107391 /nfs/dbraw/zinc/10/73/91/552107391.db2.gz OVFBIKTWIXLMLO-HOCLYGCPSA-N 1 0 371.485 2.138 20 30 FEEDRO C[C@@H](CNS(=O)(=O)Cc1ccc(C#N)cc1)[N@H+](C)Cc1ccccc1 ZINC000288322313 552133068 /nfs/dbraw/zinc/13/30/68/552133068.db2.gz LEALLZJFDFNFRS-INIZCTEOSA-N 1 0 357.479 2.498 20 30 FEEDRO C#C[C@H](NC(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1)C(C)(C)C ZINC000289126186 552269774 /nfs/dbraw/zinc/26/97/74/552269774.db2.gz IYUIBRRVXGSDJD-IBGZPJMESA-N 1 0 357.498 2.490 20 30 FEEDRO C=CCCCCNC(=O)C(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000289244386 552288072 /nfs/dbraw/zinc/28/80/72/552288072.db2.gz VCXSMLKVYRUXTF-PKOBYXMFSA-N 1 0 357.498 2.486 20 30 FEEDRO C[NH+](C)CCN(CC1CCCCC1)S(=O)(=O)c1cncc(C#N)c1 ZINC000289396048 552314398 /nfs/dbraw/zinc/31/43/98/552314398.db2.gz FCBNIFRAWMGHIZ-UHFFFAOYSA-N 1 0 350.488 2.086 20 30 FEEDRO CC[NH+](CC)Cc1ccccc1CNS(=O)(=O)c1cncc(C#N)c1 ZINC000289658776 552357841 /nfs/dbraw/zinc/35/78/41/552357841.db2.gz FGGHKISTNOTSJN-UHFFFAOYSA-N 1 0 358.467 2.274 20 30 FEEDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(S(=O)(=O)c2cncc(C#N)c2)C1 ZINC000289875554 552392772 /nfs/dbraw/zinc/39/27/72/552392772.db2.gz RCSYXUZROYTNPD-JKSUJKDBSA-N 1 0 362.499 2.228 20 30 FEEDRO Cc1ccccc1C[NH+]1CCC(NS(=O)(=O)c2cncc(C#N)c2)CC1 ZINC000289954656 552405036 /nfs/dbraw/zinc/40/50/36/552405036.db2.gz WDRYBQCREFCDCR-UHFFFAOYSA-N 1 0 370.478 2.205 20 30 FEEDRO C[NH+](C)CCN(Cc1ccccc1)C(=O)C(=O)Nc1ccc(C#N)c(F)c1 ZINC000290270383 552451572 /nfs/dbraw/zinc/45/15/72/552451572.db2.gz PHCXOOAXMVWEND-UHFFFAOYSA-N 1 0 368.412 2.226 20 30 FEEDRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000290306948 552457539 /nfs/dbraw/zinc/45/75/39/552457539.db2.gz JEPRTJPAPWKNCH-LLVKDONJSA-N 1 0 370.375 2.360 20 30 FEEDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)CCc1c(C)nc2c(C#N)cnn2c1C ZINC000290652370 552513213 /nfs/dbraw/zinc/51/32/13/552513213.db2.gz RBCGISZIYRBGEW-CQSZACIVSA-N 1 0 370.501 2.387 20 30 FEEDRO C=C(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[N@@H+](CC)CC1 ZINC000290920038 552561548 /nfs/dbraw/zinc/56/15/48/552561548.db2.gz FEZAFKLVQQWCMA-UHFFFAOYSA-N 1 0 357.506 2.248 20 30 FEEDRO C=C[C@@H](CO)NC(=O)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000291064821 552582681 /nfs/dbraw/zinc/58/26/81/552582681.db2.gz RTGRAGFMJQFYAV-GJZGRUSLSA-N 1 0 357.376 2.126 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)Nc1cn(C)nc1C1CC1)C(C)C ZINC000291352912 552617696 /nfs/dbraw/zinc/61/76/96/552617696.db2.gz PXOMIJFWNOIIFD-QGZVFWFLSA-N 1 0 373.501 2.051 20 30 FEEDRO COCC1(C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)CCOCC1 ZINC000291731822 552655977 /nfs/dbraw/zinc/65/59/77/552655977.db2.gz NXPOECZLWZVLNU-UHFFFAOYSA-N 1 0 369.469 2.392 20 30 FEEDRO C[N@@H+]1CC[C@]2(CCN(S(=O)(=O)c3ccc(C(F)(F)F)c(C#N)c3)C2)C1 ZINC000292077563 552691448 /nfs/dbraw/zinc/69/14/48/552691448.db2.gz QPKJMVZGIFQSGG-HNNXBMFYSA-N 1 0 373.400 2.293 20 30 FEEDRO CO[C@](C)(CNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)C1CC1 ZINC000292169782 552700878 /nfs/dbraw/zinc/70/08/78/552700878.db2.gz FUYDFUSAZFJXSD-HXUWFJFHSA-N 1 0 358.486 2.447 20 30 FEEDRO CCOc1ccccc1NC(=O)CN1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292172275 552701101 /nfs/dbraw/zinc/70/11/01/552701101.db2.gz LYZIOCVTMZXFOI-INIZCTEOSA-N 1 0 366.421 2.444 20 30 FEEDRO N#Cc1ccc(O[C@H]2CC[N@@H+](C[C@@H](O)COCc3cccs3)C2)nc1 ZINC000292375436 552720699 /nfs/dbraw/zinc/72/06/99/552720699.db2.gz YWBXTHOQEMDWLK-CVEARBPZSA-N 1 0 359.451 2.046 20 30 FEEDRO C=C(C)Cn1c([C@H](C)CC)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000292857760 552765474 /nfs/dbraw/zinc/76/54/74/552765474.db2.gz GPPLLIZSSYOLEV-IAGOWNOFSA-N 1 0 374.533 2.111 20 30 FEEDRO C[N@@H+]1CCC[C@]2(CCN([C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)C2)C1 ZINC000292968386 552775647 /nfs/dbraw/zinc/77/56/47/552775647.db2.gz MCTZXLJDKQMHFE-CTNGQTDRSA-N 1 0 352.482 2.471 20 30 FEEDRO N#Cc1ccsc1NC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000293666695 552845492 /nfs/dbraw/zinc/84/54/92/552845492.db2.gz MJTIMRYDHVZTOS-ZFWWWQNUSA-N 1 0 358.467 2.034 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)CCc1nnc(-c2ccc(Cl)cc2)o1 ZINC000293977149 552872334 /nfs/dbraw/zinc/87/23/34/552872334.db2.gz MONJUIXLDNTZSZ-UHFFFAOYSA-N 1 0 360.845 2.394 20 30 FEEDRO CC(C)CC[NH+]1CCC(CNC(=O)C(=O)Nc2sccc2C#N)CC1 ZINC000294138610 552885158 /nfs/dbraw/zinc/88/51/58/552885158.db2.gz QFPILWWREMFZAB-UHFFFAOYSA-N 1 0 362.499 2.433 20 30 FEEDRO CO[C@]1(C)C[C@@H]([NH2+]CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1(C)C ZINC000295093523 552958361 /nfs/dbraw/zinc/95/83/61/552958361.db2.gz AHHNWQDMPUXIBY-OXQOHEQNSA-N 1 0 367.453 2.476 20 30 FEEDRO C[N@H+](Cc1cn(CCC#N)nc1-c1ccccc1)[C@@H]1CCN2CCO[C@H]1C2 ZINC000295121670 552961153 /nfs/dbraw/zinc/96/11/53/552961153.db2.gz NHRPYDBTFFNUGQ-UXHICEINSA-N 1 0 365.481 2.369 20 30 FEEDRO C[C@@H]1C[C@H](C(F)(F)F)CCN1CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000295228365 552972687 /nfs/dbraw/zinc/97/26/87/552972687.db2.gz YTFIIJAETLPHKG-DGCLKSJQSA-N 1 0 361.389 2.390 20 30 FEEDRO CCN(C)C(=O)[C@@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)C(C)C ZINC000296191015 553119494 /nfs/dbraw/zinc/11/94/94/553119494.db2.gz IXQGLWUYNFFZCY-MSOLQXFVSA-N 1 0 356.470 2.146 20 30 FEEDRO CC(C)(CC#N)CS(=O)(=O)N1CCN(CCc2cccs2)CC1 ZINC000296745469 553206165 /nfs/dbraw/zinc/20/61/65/553206165.db2.gz PDDGHNDPLJPCFI-UHFFFAOYSA-N 1 0 355.529 2.178 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)N1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000296841936 553218976 /nfs/dbraw/zinc/21/89/76/553218976.db2.gz JHPZQOJJPUMZHS-KRWDZBQOSA-N 1 0 357.502 2.064 20 30 FEEDRO COCC[N@H+](C)CCCC1CCN(c2ncc(C#N)cc2[N+](=O)[O-])CC1 ZINC000297590545 553312716 /nfs/dbraw/zinc/31/27/16/553312716.db2.gz UEEABLJWJZFHQB-UHFFFAOYSA-N 1 0 361.446 2.436 20 30 FEEDRO C=CCN(CC=C)C(=O)[C@H](C)[NH2+]C[C@H](c1cccs1)N1CCOCC1 ZINC000298066223 553379548 /nfs/dbraw/zinc/37/95/48/553379548.db2.gz FINFYKVSHTXBSU-DLBZAZTESA-N 1 0 363.527 2.300 20 30 FEEDRO C=CCN(Cc1ccccc1)C(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000298210278 553398591 /nfs/dbraw/zinc/39/85/91/553398591.db2.gz HBBXPKIPKJJKGV-IBGZPJMESA-N 1 0 355.482 2.146 20 30 FEEDRO C=CCc1ccc(OC[C@@H](O)C[NH+]2CCC(C(=O)OC)CC2)c(OC)c1 ZINC000298210968 553398603 /nfs/dbraw/zinc/39/86/03/553398603.db2.gz UQBSSCMQMCUJTP-KRWDZBQOSA-N 1 0 363.454 2.048 20 30 FEEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[NH2+][C@H]3C(=O)NCC[C@@H]3C)sc2C1 ZINC000298374087 553418049 /nfs/dbraw/zinc/41/80/49/553418049.db2.gz DBFMSWHKILMMAI-BWACUDIHSA-N 1 0 374.510 2.187 20 30 FEEDRO CC[NH+](CC)CCN(CC(C)C)C(=O)C(=O)Nc1cccc(OCC#N)c1 ZINC000298917001 553489492 /nfs/dbraw/zinc/48/94/92/553489492.db2.gz AMBPJKFFKUHJDG-UHFFFAOYSA-N 1 0 374.485 2.354 20 30 FEEDRO CN(C)c1ccc(C(N)=[NH+]OCc2cc([N+](=O)[O-])cc3c2OCOC3)cc1 ZINC000298988006 553499667 /nfs/dbraw/zinc/49/96/67/553499667.db2.gz KKBXWJAPHPBHHU-UHFFFAOYSA-N 1 0 372.381 2.364 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)c(C(F)(F)F)c1 ZINC000299047752 553508302 /nfs/dbraw/zinc/50/83/02/553508302.db2.gz FTIUXXIOKHXWIE-KBPBESRZSA-N 1 0 373.400 2.482 20 30 FEEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000299071401 553511555 /nfs/dbraw/zinc/51/15/55/553511555.db2.gz CEFHFSPTQSCPAM-RDJZCZTQSA-N 1 0 370.453 2.027 20 30 FEEDRO N#Cc1c2c(sc1NC(=O)CC[NH2+][C@H]1CCCC[C@H]1C(N)=O)CCC2 ZINC000299235329 553534625 /nfs/dbraw/zinc/53/46/25/553534625.db2.gz IUSKWUZUCOPOQU-OCCSQVGLSA-N 1 0 360.483 2.071 20 30 FEEDRO N#Cc1cc(S(N)(=O)=O)ccc1NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000301326243 553642353 /nfs/dbraw/zinc/64/23/53/553642353.db2.gz AWUHTNRJBZJSME-IBGZPJMESA-N 1 0 370.478 2.455 20 30 FEEDRO N#Cc1cc(NC[C@H](O)C[NH+]2CCCCC2)nc2ccc([N+](=O)[O-])cc12 ZINC000301335163 553643337 /nfs/dbraw/zinc/64/33/37/553643337.db2.gz CQOHXNXTJWMFLI-HNNXBMFYSA-N 1 0 355.398 2.273 20 30 FEEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000505555182 561673954 /nfs/dbraw/zinc/67/39/54/561673954.db2.gz JFPBQHADROVZRC-HXUWFJFHSA-N 1 0 357.502 2.291 20 30 FEEDRO COc1ccc(C[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)cc1OC ZINC000327056384 553785729 /nfs/dbraw/zinc/78/57/29/553785729.db2.gz VSDOOKHYEKCCJM-UHFFFAOYSA-N 1 0 360.435 2.139 20 30 FEEDRO CC[N@@H+]1CCC[C@H](CNC(=O)NCc2cc(F)cc3c2OCOC3)C1 ZINC000328694013 553808243 /nfs/dbraw/zinc/80/82/43/553808243.db2.gz FVZLMPGMLIRSKG-CYBMUJFWSA-N 1 0 351.422 2.428 20 30 FEEDRO Cc1nc(N2CCN(C(=O)N[C@@H]3C[N@H+](C4CC4)C[C@H]3C)CC2)sc1C ZINC000328701583 553809401 /nfs/dbraw/zinc/80/94/01/553809401.db2.gz WTCQNKMIOFGFAP-MLGOLLRUSA-N 1 0 363.531 2.279 20 30 FEEDRO CCc1cc(N2CCC(NC(=O)NC[C@@H]3CCC[N@@H+](CC)C3)CC2)ncn1 ZINC000328705711 553810199 /nfs/dbraw/zinc/81/01/99/553810199.db2.gz LFVKGMGBFDFYJT-INIZCTEOSA-N 1 0 374.533 2.243 20 30 FEEDRO C=C(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000328709904 553810826 /nfs/dbraw/zinc/81/08/26/553810826.db2.gz BNBTYKBYGAKUTN-GOSISDBHSA-N 1 0 369.517 2.390 20 30 FEEDRO CNC(=O)NC1CN(C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)C1 ZINC000328717958 553811812 /nfs/dbraw/zinc/81/18/12/553811812.db2.gz UVGCUCUGZVGZIH-UHFFFAOYSA-N 1 0 373.501 2.294 20 30 FEEDRO O=C(NCC1([NH+]2CCCC2)CCOCC1)N[C@@H]1CCC(=O)NC12CCC2 ZINC000328727925 553813128 /nfs/dbraw/zinc/81/31/28/553813128.db2.gz DNQBCEUPXMBPCI-OAHLLOKOSA-N 1 0 364.490 2.177 20 30 FEEDRO CC(C)n1cnnc1SCC(=O)NC1CCN(c2nccn2C)CC1 ZINC000328791268 553822922 /nfs/dbraw/zinc/82/29/22/553822922.db2.gz ZEWYASHJGASCHO-UHFFFAOYSA-N 1 0 363.491 2.310 20 30 FEEDRO C[C@@H]1C[NH+](CC2CCN(C(=O)N[C@@H]3CCO[C@@H]3C3CC3)CC2)C[C@@H](C)O1 ZINC000328842881 553831322 /nfs/dbraw/zinc/83/13/22/553831322.db2.gz QGCGZFYWKVPCOL-OHDICMOHSA-N 1 0 365.518 2.289 20 30 FEEDRO O=C(Nc1ccc(F)cc1)N[C@H]1CCN(C(=O)[C@@H]2CCn3cncc3C2)C1 ZINC000328897660 553840667 /nfs/dbraw/zinc/84/06/67/553840667.db2.gz CUONTKFGNAGRJT-CJNGLKHVSA-N 1 0 371.416 2.212 20 30 FEEDRO O=C(NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)[C@H]1CCn2cncc2C1 ZINC000328903116 553842087 /nfs/dbraw/zinc/84/20/87/553842087.db2.gz HLEQZGJLYDMGAW-WDSOQIARSA-N 1 0 354.454 2.037 20 30 FEEDRO O=C(C[N@@H+]1CC[C@H]2[C@H](CCC(=O)N2C2CC2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000328986782 553859129 /nfs/dbraw/zinc/85/91/29/553859129.db2.gz RGMOGMJENDTTBJ-BEFAXECRSA-N 1 0 374.529 2.045 20 30 FEEDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)[C@@H]1[C@@H](C)OCC(=O)N1Cc1ccccc1 ZINC000328999606 553862232 /nfs/dbraw/zinc/86/22/32/553862232.db2.gz XECZFIGDMDVARN-OHRYMORCSA-N 1 0 371.481 2.242 20 30 FEEDRO C[C@@H]1CCCC[N@@H+]1CCC(=O)N[C@@H]1CCC(=O)N(C)[C@H]1c1ccnn1C ZINC000329026194 553866884 /nfs/dbraw/zinc/86/68/84/553866884.db2.gz VNPLNZPBGDTDJR-SPYBWZPUSA-N 1 0 361.490 2.303 20 30 FEEDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCN1C(=O)c1ccc2c(c1)OCO2 ZINC000329049175 553871502 /nfs/dbraw/zinc/87/15/02/553871502.db2.gz VXZFCIQNTMSYMS-CVEARBPZSA-N 1 0 373.453 2.461 20 30 FEEDRO CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000329057084 553872847 /nfs/dbraw/zinc/87/28/47/553872847.db2.gz SUWASAQBVVUQDQ-QGZVFWFLSA-N 1 0 371.547 2.412 20 30 FEEDRO C[C@@H](CNC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)[NH+]1CCC(C)CC1 ZINC000506108602 561690563 /nfs/dbraw/zinc/69/05/63/561690563.db2.gz JUYPKIVNIHLHOG-KXBFYZLASA-N 1 0 351.491 2.485 20 30 FEEDRO O=C(NC1CC1)[C@@H](c1ccccc1)[N@@H+]1CCC[C@@](O)(C(=O)N2CCCC2)C1 ZINC000329078094 553876650 /nfs/dbraw/zinc/87/66/50/553876650.db2.gz CUIUKVWJYUYLRI-NQIIRXRSSA-N 1 0 371.481 2.296 20 30 FEEDRO C[NH+](C)C1(CNC(=O)N[C@@H]2CCO[C@@]3(CCOC3)C2)CCCCCC1 ZINC000329093456 553879191 /nfs/dbraw/zinc/87/91/91/553879191.db2.gz APWXMNRSXRWTKI-APWZRJJASA-N 1 0 353.507 2.483 20 30 FEEDRO O=C(C[NH+]1CCC2(C[C@@H]2C(=O)N2CCCCC2)CC1)NC1CCOCC1 ZINC000329104236 553880978 /nfs/dbraw/zinc/88/09/78/553880978.db2.gz GMYKBQRWNLSHEC-QGZVFWFLSA-N 1 0 363.502 2.237 20 30 FEEDRO Cc1c(C(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)cnn1-c1ccc(=O)[nH]n1 ZINC000329108108 553881634 /nfs/dbraw/zinc/88/16/34/553881634.db2.gz FMQRCNBELQCBNG-AWEZNQCLSA-N 1 0 358.446 2.101 20 30 FEEDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C(C)C ZINC000329110748 553882081 /nfs/dbraw/zinc/88/20/81/553882081.db2.gz GMVXFVVJLQMXDX-ZACQAIPSSA-N 1 0 365.522 2.246 20 30 FEEDRO C[C@@H]1CCC[C@](CNC(=O)N[C@@H]2CCO[C@]3(CCOC3)C2)([NH+](C)C)C1 ZINC000329111293 553882209 /nfs/dbraw/zinc/88/22/09/553882209.db2.gz JZJNRRSQFRGQSY-ZAWLATJESA-N 1 0 353.507 2.339 20 30 FEEDRO C[NH+](C)[C@H](CNC(=O)N[C@@H]1CCO[C@@]2(CCOC2)C1)C1CCCCC1 ZINC000329131055 553885973 /nfs/dbraw/zinc/88/59/73/553885973.db2.gz XPBGURNKMKWTOC-LMMKCTJWSA-N 1 0 353.507 2.339 20 30 FEEDRO C[C@H]1CN(CC(=O)Nc2nc(CN3CCCC3)cs2)C[C@H]1[NH+](C)C ZINC000329132564 553886510 /nfs/dbraw/zinc/88/65/10/553886510.db2.gz ATKYIGKTOVONHL-DZGCQCFKSA-N 1 0 351.520 2.209 20 30 FEEDRO CCn1ccnc1[C@H](NC(=O)[C@H](C)N1CCOCC1)C1CCOCC1 ZINC000329159477 553891427 /nfs/dbraw/zinc/89/14/27/553891427.db2.gz DJFVKDWSQQBUER-GOEBONIOSA-N 1 0 350.463 2.048 20 30 FEEDRO C[C@H](Sc1ccccn1)C(=O)NC1CC[NH+]([C@H]2CCN(C)C2=O)CC1 ZINC000329169470 553894589 /nfs/dbraw/zinc/89/45/89/553894589.db2.gz JPRGESYETPOLQV-ZFWWWQNUSA-N 1 0 362.499 2.214 20 30 FEEDRO COc1ccccc1C1(C(=O)NC2CC[NH+]([C@H]3CCN(C)C3=O)CC2)CC1 ZINC000329169780 553894606 /nfs/dbraw/zinc/89/46/06/553894606.db2.gz JTFMCMDXHHCXRW-KRWDZBQOSA-N 1 0 371.481 2.378 20 30 FEEDRO O=C(N[C@H]1CCS(=O)(=O)C1)[C@@]12CCC[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000329183693 553897189 /nfs/dbraw/zinc/89/71/89/553897189.db2.gz FQRYVCXSPLXZBV-ZIFCJYIRSA-N 1 0 362.495 2.432 20 30 FEEDRO CC(C)[C@@H](C(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1)N1CCCC1=O ZINC000329183387 553897380 /nfs/dbraw/zinc/89/73/80/553897380.db2.gz PHJIKJNAHVEVJX-SFHVURJKSA-N 1 0 359.474 2.068 20 30 FEEDRO CN1CC[C@H]([NH+]2CCC(NC(=O)c3coc(C4CCCC4)n3)CC2)C1=O ZINC000329209115 553902580 /nfs/dbraw/zinc/90/25/80/553902580.db2.gz YXJBYGCKHMVDQX-INIZCTEOSA-N 1 0 360.458 2.332 20 30 FEEDRO CC(=O)N1CCCC[C@@H]1C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000329208883 553902677 /nfs/dbraw/zinc/90/26/77/553902677.db2.gz YVDADGIAKXHJFI-KURKYZTESA-N 1 0 351.491 2.112 20 30 FEEDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(C)cc1 ZINC000329219046 553904949 /nfs/dbraw/zinc/90/49/49/553904949.db2.gz AORSXIJVIYBXCH-HOTGVXAUSA-N 1 0 367.515 2.493 20 30 FEEDRO CC[C@@H]1CN(C(=O)NCC2([NH+](C)C)CCCCCC2)C[C@H](C)S1(=O)=O ZINC000329222038 553905338 /nfs/dbraw/zinc/90/53/38/553905338.db2.gz VRTHEUXYMLSPPW-JKSUJKDBSA-N 1 0 373.563 2.453 20 30 FEEDRO Cc1noc([C@@H]2CCCN2C(=O)NCC2([NH+]3CCCC3)CCOCC2)n1 ZINC000329234157 553907792 /nfs/dbraw/zinc/90/77/92/553907792.db2.gz MOLBEOAHUXRKRY-HNNXBMFYSA-N 1 0 363.462 2.074 20 30 FEEDRO C[C@H](C(=O)N[C@@H]1CCCN(S(=O)(=O)C2CC2)C1)[NH+]1CCCCCC1 ZINC000329273433 553915108 /nfs/dbraw/zinc/91/51/08/553915108.db2.gz JXIVUEOHSYKVJV-HUUCEWRRSA-N 1 0 357.520 2.164 20 30 FEEDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)NCCc3csc(N4CCCC4)n3)[C@@H]2C1 ZINC000329278817 553916536 /nfs/dbraw/zinc/91/65/36/553916536.db2.gz LIGVOWDWAFPCCP-GDBMZVCRSA-N 1 0 363.531 2.226 20 30 FEEDRO CC1(C)CN(C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)CC[C@H]1O ZINC000329286563 553917697 /nfs/dbraw/zinc/91/76/97/553917697.db2.gz OTAZERBUHHFOMA-QGZVFWFLSA-N 1 0 367.534 2.276 20 30 FEEDRO CN(C(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC000329288174 553918595 /nfs/dbraw/zinc/91/85/95/553918595.db2.gz MPRMYMIACUEYKP-VQIMIIECSA-N 1 0 356.445 2.076 20 30 FEEDRO O=C(NC1CC[NH+](Cc2ccncc2)CC1)C1(N2CCOCC2)CCC1 ZINC000329349811 553929825 /nfs/dbraw/zinc/92/98/25/553929825.db2.gz WPSHCOZEWTWMFG-UHFFFAOYSA-N 1 0 358.486 2.257 20 30 FEEDRO CC(C)c1nc([C@@H]2COCCN2C(=O)NC2CC[NH+](C(C)C)CC2)no1 ZINC000329350954 553930148 /nfs/dbraw/zinc/93/01/48/553930148.db2.gz TYWUSXQBAGHSMY-HNNXBMFYSA-N 1 0 365.478 2.353 20 30 FEEDRO CC[C@@H]1CN(C(=O)Nc2cccc3c2OCCC3=O)C[C@H]1N1CCOCC1 ZINC000329355581 553930721 /nfs/dbraw/zinc/93/07/21/553930721.db2.gz VUHRNGMWACADDK-RHSMWYFYSA-N 1 0 373.453 2.240 20 30 FEEDRO COc1cccc([C@H](C)C(=O)NC2CC[NH+]([C@H]3CCN(C)C3=O)CC2)c1 ZINC000329427519 553944350 /nfs/dbraw/zinc/94/43/50/553944350.db2.gz JLUAWHOMELYPCV-KSSFIOAISA-N 1 0 359.470 2.450 20 30 FEEDRO CO[C@]1(C)CCCN(C(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2ccnn2C)C1 ZINC000329431745 553945890 /nfs/dbraw/zinc/94/58/90/553945890.db2.gz HZGFHJFFHSGTPY-KVSKMBFKSA-N 1 0 363.506 2.218 20 30 FEEDRO Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000329485037 553956084 /nfs/dbraw/zinc/95/60/84/553956084.db2.gz QPPHUBLJOBHSCM-KRWDZBQOSA-N 1 0 358.486 2.130 20 30 FEEDRO O=C(CN1CCOCC2(CC2)C1)N1CCC(NC(=O)c2ccccc2)CC1 ZINC000329491371 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CC(C)C[N@@H+]1CC[C@H](CNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)C1 ZINC000507320490 561724794 /nfs/dbraw/zinc/72/47/94/561724794.db2.gz AGFQJYXKRLWUDL-DNVCBOLYSA-N 1 0 351.491 2.342 20 30 FEEDRO CN1CCO[C@@H]2C[N@H+](CCC(=O)Nc3sc4c(c3C#N)CCCC4)C[C@H]21 ZINC000329927406 554033427 /nfs/dbraw/zinc/03/34/27/554033427.db2.gz LNXAYIMVPAYOAJ-HZPDHXFCSA-N 1 0 374.510 2.491 20 30 FEEDRO CC(C)[NH+]1CCC(O)(CNC(=O)[C@@H]2CC[C@@H](C(F)(F)F)NC2=O)CC1 ZINC000329936607 554035019 /nfs/dbraw/zinc/03/50/19/554035019.db2.gz LCQCSCLDQXWPAE-RYUDHWBXSA-N 1 0 365.396 2.476 20 30 FEEDRO Cc1ccnc(-c2cccc(NC(=O)N3C[C@@H]4[C@H](C3)OCCN4C)c2)n1 ZINC000329940051 554035239 /nfs/dbraw/zinc/03/52/39/554035239.db2.gz BIPYEBSQPLPKNE-SJORKVTESA-N 1 0 353.426 2.012 20 30 FEEDRO CC[C@@H](NC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1)C1CCOCC1 ZINC000329951637 554038007 /nfs/dbraw/zinc/03/80/07/554038007.db2.gz MOPAHXOGZREYAA-LJQANCHMSA-N 1 0 366.550 2.254 20 30 FEEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C2CCN(c3oc(C)nc3C#N)CC2)C[C@H]1C ZINC000330008910 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2.289 20 30 FEEDRO CC[C@H](NC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1)c1c(C)nn(C)c1C ZINC000330199558 554083608 /nfs/dbraw/zinc/08/36/08/554083608.db2.gz VPAMUGIYJICNBY-IRXDYDNUSA-N 1 0 363.506 2.056 20 30 FEEDRO C[C@H](CNC(=O)N[C@@H]1CCOC2(CCOCC2)C1)[NH+]1CCC(C)CC1 ZINC000330223144 554087825 /nfs/dbraw/zinc/08/78/25/554087825.db2.gz MXTVXLIDBFKUFL-IAGOWNOFSA-N 1 0 353.507 2.339 20 30 FEEDRO C[C@H](NC(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C)c1cncc(F)c1 ZINC000330231918 554089986 /nfs/dbraw/zinc/08/99/86/554089986.db2.gz RGCNGEKFMXYRQQ-KGLIPLIRSA-N 1 0 350.438 2.381 20 30 FEEDRO O=C(CN1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CC2)CC1)NC1CCCCC1 ZINC000330234647 554090341 /nfs/dbraw/zinc/09/03/41/554090341.db2.gz SSAKHKJXVYEMJS-GOSISDBHSA-N 1 0 362.518 2.047 20 30 FEEDRO O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)N1CCC[C@@H](OCC2CC2)C1 ZINC000330242843 554091698 /nfs/dbraw/zinc/09/16/98/554091698.db2.gz CHIGGJDHGXSSDU-QRVBRYPASA-N 1 0 365.518 2.169 20 30 FEEDRO C[NH+](C)[C@H]1CCCN(C(=O)Nc2ccccc2CN2C(=O)CCC2=O)CC1 ZINC000330248287 554092998 /nfs/dbraw/zinc/09/29/98/554092998.db2.gz MDRFOKXINNUMGH-INIZCTEOSA-N 1 0 372.469 2.297 20 30 FEEDRO Cc1noc(C)c1C[C@H](C)NC(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC000330272286 554097273 /nfs/dbraw/zinc/09/72/73/554097273.db2.gz XJXXISGKXDXRHZ-KBPBESRZSA-N 1 0 364.490 2.322 20 30 FEEDRO CC[C@H](C)[C@H](NC(=O)N1CCCC1)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000330276362 554097711 /nfs/dbraw/zinc/09/77/11/554097711.db2.gz MUDRNJNEUIXDIM-MLHJIOFPSA-N 1 0 364.534 2.354 20 30 FEEDRO CCC[N@@H+]1CC[C@H](CNC(=O)N[C@H]2CCO[C@@H]2c2c(C)nn(C)c2C)C1 ZINC000330355271 554110628 /nfs/dbraw/zinc/11/06/28/554110628.db2.gz QLJFNYGVPDPHNW-RYRKJORJSA-N 1 0 363.506 2.102 20 30 FEEDRO C[C@@H](CC#N)N(C)S(=O)(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000330409229 554117687 /nfs/dbraw/zinc/11/76/87/554117687.db2.gz JYTRTDQFFOZWSC-WMZOPIPTSA-N 1 0 364.515 2.109 20 30 FEEDRO C[NH+](C)CC[C@H](NC(=O)N1CCCC[C@@H]1[C@@H]1CNC(=O)C1)C(C)(C)C ZINC000330513123 554132322 /nfs/dbraw/zinc/13/23/22/554132322.db2.gz CRPCDOVJGHENRK-XHSDSOJGSA-N 1 0 352.523 2.257 20 30 FEEDRO CC(C)C(=O)NC1CCN(C(=O)NCC[C@@H](C)[NH+]2CCCCC2)CC1 ZINC000330799596 554172805 /nfs/dbraw/zinc/17/28/05/554172805.db2.gz GBNUGXVCERNHNM-MRXNPFEDSA-N 1 0 352.523 2.402 20 30 FEEDRO C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CCC[C@H](c2cc(C(F)(F)F)n[nH]2)C1 ZINC000330898107 554184733 /nfs/dbraw/zinc/18/47/33/554184733.db2.gz OUFNKCZNSUZMBA-RYUDHWBXSA-N 1 0 357.380 2.368 20 30 FEEDRO CS[C@H]1CN(C(=O)Nc2cccc(OCC(F)F)n2)C[C@@H]1[NH+](C)C ZINC000330922225 554189237 /nfs/dbraw/zinc/18/92/37/554189237.db2.gz RBJITWINUYOZEN-QWRGUYRKSA-N 1 0 360.430 2.248 20 30 FEEDRO CC(C)NC(=O)NC1(C(=O)NCC[N@@H+]2CCC[C@H](C)C2)CCCCC1 ZINC000330969522 554195755 /nfs/dbraw/zinc/19/57/55/554195755.db2.gz JJKKJBBUSUUSFI-INIZCTEOSA-N 1 0 352.523 2.449 20 30 FEEDRO CC[C@@H]1CN(C(=O)Nc2cc(NC(C)=O)ccc2F)CC[N@@H+]1C[C@@H](C)O ZINC000331128380 554218090 /nfs/dbraw/zinc/21/80/90/554218090.db2.gz IGHGUVRYBXQJBY-IUODEOHRSA-N 1 0 366.437 2.107 20 30 FEEDRO C=CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[NH+](C(C)C)CC1 ZINC000508701135 561770008 /nfs/dbraw/zinc/77/00/08/561770008.db2.gz VLFXTYPKROKQBL-UHFFFAOYSA-N 1 0 369.469 2.433 20 30 FEEDRO C=CCn1c(C2CC2)nnc1N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000508715972 561770467 /nfs/dbraw/zinc/77/04/67/561770467.db2.gz QEZUIJRSJPQNCS-UHFFFAOYSA-N 1 0 358.534 2.336 20 30 FEEDRO Cc1cc(NC(=O)N2CCC([N@H+](C)CCCO)CC2)c(C#N)cc1N(C)C ZINC000331232176 554234154 /nfs/dbraw/zinc/23/41/54/554234154.db2.gz IWACOWGCEJMEAK-UHFFFAOYSA-N 1 0 373.501 2.243 20 30 FEEDRO COC[C@@H]1CN(C(=O)NCc2ccc(C[NH+](C)C)c(F)c2)C[C@@H](C)O1 ZINC000331258097 554237670 /nfs/dbraw/zinc/23/76/70/554237670.db2.gz DXWZERIBTMLFRD-CJNGLKHVSA-N 1 0 353.438 2.037 20 30 FEEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccccc2S(C)(=O)=O)C[C@@H]1C ZINC000331274619 554240031 /nfs/dbraw/zinc/24/00/31/554240031.db2.gz HXJJUJXNLPWFJP-KBPBESRZSA-N 1 0 353.488 2.440 20 30 FEEDRO CC(=O)Nc1ccc(F)c(NC(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)c1 ZINC000331295492 554242885 /nfs/dbraw/zinc/24/28/85/554242885.db2.gz NKEAOJPQNBTOIR-LBPRGKRZSA-N 1 0 366.437 2.107 20 30 FEEDRO C=CCn1c(CC2CC2)nnc1N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000508843388 561774678 /nfs/dbraw/zinc/77/46/78/561774678.db2.gz CEJXAHZHHVHWPI-ROUUACIJSA-N 1 0 372.561 2.411 20 30 FEEDRO CC[C@](C)(C#N)C(=O)Nc1ccc(CC[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000509093778 561784427 /nfs/dbraw/zinc/78/44/27/561784427.db2.gz JNTWPEDSKGVVTP-HXUWFJFHSA-N 1 0 356.470 2.305 20 30 FEEDRO C[C@@H](C(=O)Nc1ccccc1C#N)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000332029098 554366948 /nfs/dbraw/zinc/36/69/48/554366948.db2.gz HITSRBXPCUKXSN-CVEARBPZSA-N 1 0 356.470 2.070 20 30 FEEDRO C=C[C@@H](C)NC(=O)N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000332372367 554434256 /nfs/dbraw/zinc/43/42/56/554434256.db2.gz BNJDMQZWEZETTP-QZTJIDSGSA-N 1 0 357.502 2.200 20 30 FEEDRO N#Cc1ccc(N2CCN(C(=O)N[C@H]3CCC[C@@H]([NH3+])C3)CC2)c(Cl)c1 ZINC000332517732 554461327 /nfs/dbraw/zinc/46/13/27/554461327.db2.gz AYDXWMOCRTUVSS-CABCVRRESA-N 1 0 361.877 2.313 20 30 FEEDRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 ZINC000332667895 554493928 /nfs/dbraw/zinc/49/39/28/554493928.db2.gz MIWCSTLUJUSJLN-CHWSQXEVSA-N 1 0 372.860 2.954 20 30 FEEDRO CC[C@H](C)[NH2+][C@H](CNS(=O)(=O)N(CC)C[C@H](C)C#N)c1ccco1 ZINC000510417183 561833979 /nfs/dbraw/zinc/83/39/79/561833979.db2.gz VGVCQJCMHMUNIE-QLFBSQMISA-N 1 0 356.492 2.025 20 30 FEEDRO Cc1cc(N2CC[C@H](N3CC[NH2+]CC3)C2)n2c3ccccc3nc2c1C#N ZINC000333518648 554620275 /nfs/dbraw/zinc/62/02/75/554620275.db2.gz KFBWLVXITYYNMN-INIZCTEOSA-N 1 0 360.465 2.152 20 30 FEEDRO C[C@H]1CN(C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)CC[C@@H]1[NH3+] ZINC000333724264 554636965 /nfs/dbraw/zinc/63/69/65/554636965.db2.gz GYVGWJASITVIEE-LYAPFXNSSA-N 1 0 357.458 2.022 20 30 FEEDRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000333895993 554653253 /nfs/dbraw/zinc/65/32/53/554653253.db2.gz ZBAZIHPDAQQQOH-GUYCJALGSA-N 1 0 360.433 2.248 20 30 FEEDRO C=CCOC[C@@H]1NC(=O)N([C@H](C[N@H+](C)Cc2ccccc2)C(C)C)C1=O ZINC000348577021 554689263 /nfs/dbraw/zinc/68/92/63/554689263.db2.gz LKGBJUOJTBQGLZ-ZWKOTPCHSA-N 1 0 359.470 2.266 20 30 FEEDRO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C(=O)Nc2nccs2)C1 ZINC000360113532 554863563 /nfs/dbraw/zinc/86/35/63/554863563.db2.gz UDWUNLLXYAODSG-HUUCEWRRSA-N 1 0 362.499 2.383 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H](c2nc(C)no2)c2ccccc2)CC1 ZINC000361943887 554939694 /nfs/dbraw/zinc/93/96/94/554939694.db2.gz MHXHHVHWJOJGEA-QGZVFWFLSA-N 1 0 355.442 2.417 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCCN(C(=O)c3ccoc3)CC2)CC1 ZINC000362797753 554989658 /nfs/dbraw/zinc/98/96/58/554989658.db2.gz PLHHAPNVBVWBFZ-UHFFFAOYSA-N 1 0 374.485 2.178 20 30 FEEDRO C=CCOc1cccc(NC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000362916930 554998865 /nfs/dbraw/zinc/99/88/65/554998865.db2.gz DOKAXJLBXOTHHP-QGZVFWFLSA-N 1 0 357.454 2.277 20 30 FEEDRO CCc1nc([C@@H]2CCC[N@H+](C[C@H](O)COc3ccc(C#N)cc3)C2)no1 ZINC000363103144 555030899 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2.829 20 30 FEEDRO CN1CC[NH+](CC2(C)CCN(C(=O)c3cccc(CC#N)c3)CC2)CC1 ZINC000363853433 555199617 /nfs/dbraw/zinc/19/96/17/555199617.db2.gz KTPGGEXENFBCIA-UHFFFAOYSA-N 1 0 354.498 2.242 20 30 FEEDRO CCCC[C@H](ON=C(C)C)C(=O)N1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000363884069 555206565 /nfs/dbraw/zinc/20/65/65/555206565.db2.gz FJMYIHCFDMAULO-ROUUACIJSA-N 1 0 352.523 2.196 20 30 FEEDRO COc1cc(C#N)ccc1OCCCC(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000363941980 555218679 /nfs/dbraw/zinc/21/86/79/555218679.db2.gz SFQWHOWYIUSCGB-IRXDYDNUSA-N 1 0 357.454 2.469 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N2CC[C@@H](OCc3c(C)noc3C)C2)CC1 ZINC000364005492 555231918 /nfs/dbraw/zinc/23/19/18/555231918.db2.gz SPFVQYPQOXQQJG-QGZVFWFLSA-N 1 0 362.474 2.242 20 30 FEEDRO CN(C(=O)C1(c2ccc(C#N)cc2)CC1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000364154502 555259520 /nfs/dbraw/zinc/25/95/20/555259520.db2.gz FHVWRTJUGLDRRN-FQEVSTJZSA-N 1 0 366.509 2.217 20 30 FEEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)[C@H]1CCN(C2CCOCC2)C1=O ZINC000364172111 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FEEDRO Cc1c(C#N)cccc1C(=O)N(C)C1CC[NH+](CCn2cccn2)CC1 ZINC000512660731 561911590 /nfs/dbraw/zinc/91/15/90/561911590.db2.gz JAUGZOYTVDLFRU-UHFFFAOYSA-N 1 0 351.454 2.300 20 30 FEEDRO CCCOc1ccc(Br)cc1C[NH2+]CCn1cnc(C#N)n1 ZINC000512889811 561919003 /nfs/dbraw/zinc/91/90/03/561919003.db2.gz HERFAVYTPGYXCK-UHFFFAOYSA-N 1 0 364.247 2.491 20 30 FEEDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)Cc2c(F)cccc2C#N)[C@H](C)C1 ZINC000512951859 561920704 /nfs/dbraw/zinc/92/07/04/561920704.db2.gz XJGZHFDLEXPJFW-BEFAXECRSA-N 1 0 361.461 2.493 20 30 FEEDRO N#Cc1ccc(CNC(=O)NC2CC[NH+](CCc3ccncc3)CC2)cc1 ZINC000365314050 555539436 /nfs/dbraw/zinc/53/94/36/555539436.db2.gz HGEWEOGWLUBEMU-UHFFFAOYSA-N 1 0 363.465 2.460 20 30 FEEDRO C=C(C)[C@H]1OCCC[C@H]1C(=O)N(C)C1CC[NH+](C2CCOCC2)CC1 ZINC000365359388 555552778 /nfs/dbraw/zinc/55/27/78/555552778.db2.gz FZBNYHQPAPUCBW-RTBURBONSA-N 1 0 350.503 2.460 20 30 FEEDRO COCC[N@H+](C)CC[C@H](NC(=O)c1cnccc1C#N)c1ccccc1 ZINC000513198882 561929133 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C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCN(c4ccc(C#N)cc4F)C3)C[C@H]21 ZINC000367843986 556152658 /nfs/dbraw/zinc/15/26/58/556152658.db2.gz RLQDHHXZUOPAMX-JTDSTZFVSA-N 1 0 356.445 2.076 20 30 FEEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CC[C@@H](CC(N)=O)C3)sc2C1 ZINC000367987556 556188658 /nfs/dbraw/zinc/18/86/58/556188658.db2.gz FTXGFCFIOOMGTM-STQMWFEESA-N 1 0 374.510 2.270 20 30 FEEDRO C=CCOc1cccnc1C(=O)NC1CC[NH+](Cc2cccnc2)CC1 ZINC000515148010 561998145 /nfs/dbraw/zinc/99/81/45/561998145.db2.gz RQVMOCFKFQGDMN-UHFFFAOYSA-N 1 0 352.438 2.436 20 30 FEEDRO C=CCC[C@@H](NC(=O)C(=O)N[C@@H]1CCn2ccnc2C1)c1ccccc1 ZINC000515245717 562002475 /nfs/dbraw/zinc/00/24/75/562002475.db2.gz ZTNRTSXLMMQQNT-IAGOWNOFSA-N 1 0 352.438 2.138 20 30 FEEDRO C=CCn1c([C@H](C)OCCOC)nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000515333512 562005570 /nfs/dbraw/zinc/00/55/70/562005570.db2.gz STGXTFAZBJDAPO-ULQDDVLXSA-N 1 0 365.522 2.355 20 30 FEEDRO N#Cc1cc(NC[C@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)cc(N)c1[N+](=O)[O-] ZINC000368547145 556341833 /nfs/dbraw/zinc/34/18/33/556341833.db2.gz ZYXZAMLETIILLY-IAGOWNOFSA-N 1 0 367.409 2.096 20 30 FEEDRO N#C[C@@H]1CCC[C@H]([NH2+]C2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)C1 ZINC000368649846 556373799 /nfs/dbraw/zinc/37/37/99/556373799.db2.gz JZTLEDRPLAYRPP-OXFYSEKESA-N 1 0 369.465 2.489 20 30 FEEDRO COc1cc(C#N)ccc1OCC[N@@H+]1CCc2nn(C(C)C)c(=O)cc2C1 ZINC000368693036 556387172 /nfs/dbraw/zinc/38/71/72/556387172.db2.gz GDBAQXKSPGHINK-UHFFFAOYSA-N 1 0 368.437 2.142 20 30 FEEDRO CCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000369059466 556492175 /nfs/dbraw/zinc/49/21/75/556492175.db2.gz WQIIONOCLJQHAC-OAHLLOKOSA-N 1 0 370.453 2.029 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCCC[C@@H]2CN2CCCC2=O)CC1 ZINC000369200076 556534136 /nfs/dbraw/zinc/53/41/36/556534136.db2.gz DMISFOGCYGHAMP-GOSISDBHSA-N 1 0 362.518 2.213 20 30 FEEDRO C=CCc1ccccc1OC[C@@H](O)C[NH2+]CCn1c(=O)oc2ccccc21 ZINC000516049152 562028844 /nfs/dbraw/zinc/02/88/44/562028844.db2.gz YBAIUMUDKQEUNT-KRWDZBQOSA-N 1 0 368.433 2.353 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N[C@H]2CCCN(c3ccccc3OC)C2)CC1 ZINC000369421804 556596643 /nfs/dbraw/zinc/59/66/43/556596643.db2.gz OUBZFZHLCKXSEW-SFHVURJKSA-N 1 0 355.482 2.125 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)[C@@H]2COc3ccc(OCC)cc3C2)CC1 ZINC000369591245 556641094 /nfs/dbraw/zinc/64/10/94/556641094.db2.gz KBTZKIUUHAQIQC-KRWDZBQOSA-N 1 0 356.466 2.240 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)CC[C@@H]2Cc3ccccc3NC2=O)CC1 ZINC000369593643 556641791 /nfs/dbraw/zinc/64/17/91/556641791.db2.gz VIQCTXKLUXSQQE-QGZVFWFLSA-N 1 0 353.466 2.182 20 30 FEEDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCC(n3cnc(C#N)n3)CC2)C1 ZINC000369609693 556646862 /nfs/dbraw/zinc/64/68/62/556646862.db2.gz RWSUUZXFIGFAGP-OAHLLOKOSA-N 1 0 373.505 2.007 20 30 FEEDRO COc1ccc(C[NH2+]C[C@H]2CCCN(C)[C@@H]2c2cnn(C)c2)cc1C#N ZINC000369671137 556664822 /nfs/dbraw/zinc/66/48/22/556664822.db2.gz DAVYDNASXSTLQE-UZLBHIALSA-N 1 0 353.470 2.473 20 30 FEEDRO C[N@@H+]1C[C@@H]2CN(S(=O)(=O)c3ccc(C#N)cc3)C[C@H]2[C@H]1c1ccccc1 ZINC000369677306 556665663 /nfs/dbraw/zinc/66/56/63/556665663.db2.gz DVGMLZXGUHUZMJ-MISYRCLQSA-N 1 0 367.474 2.482 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[S@@](=O)CC[C@@H]1C)C(C)C ZINC000369731842 556680044 /nfs/dbraw/zinc/68/00/44/556680044.db2.gz LJSMIUGLMAWXPD-SRGWNRLKSA-N 1 0 355.548 2.238 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3F)C2)CC1 ZINC000369756580 556686292 /nfs/dbraw/zinc/68/62/92/556686292.db2.gz GHNCAIWUUCQQQH-INIZCTEOSA-N 1 0 371.456 2.091 20 30 FEEDRO CC(C)S(=O)(=O)N1CCC([NH2+][C@@H]2CCC[C@@H]3O[C@@H](CC#N)C[C@H]32)CC1 ZINC000369853886 556712919 /nfs/dbraw/zinc/71/29/19/556712919.db2.gz SPNXPYIJDCPOJO-FJIDUMEYSA-N 1 0 369.531 2.018 20 30 FEEDRO C=CCN1CC[C@@H](N(C)C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)C1=O ZINC000369855755 556713649 /nfs/dbraw/zinc/71/36/49/556713649.db2.gz JDNDOYBWEKIBBG-RBUKOAKNSA-N 1 0 370.497 2.079 20 30 FEEDRO CCN(C(=O)[C@@H](C)[NH+]1CCC(n2cnc(C#N)n2)CC1)c1ccccc1 ZINC000370123248 556786840 /nfs/dbraw/zinc/78/68/40/556786840.db2.gz RQAOONCNDWAJTE-OAHLLOKOSA-N 1 0 352.442 2.228 20 30 FEEDRO CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1cccs1 ZINC000370295250 556832231 /nfs/dbraw/zinc/83/22/31/556832231.db2.gz VMRQRHUPBDOLJG-IIAWOOMASA-N 1 0 370.544 2.057 20 30 FEEDRO C=C(C)Cn1c(-c2cnn(C)c2)nnc1N1CC[N@@H+]([C@@H]2C[C@H]2C)C[C@@H](C)C1 ZINC000516719373 562055622 /nfs/dbraw/zinc/05/56/22/562055622.db2.gz UVQROPRDQVKTBE-JFIYKMOQSA-N 1 0 369.517 2.421 20 30 FEEDRO C[N@H+](CCOCc1ccc(C#N)cc1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000516874039 562062181 /nfs/dbraw/zinc/06/21/81/562062181.db2.gz FJPQGLFFGGFDNO-OAHLLOKOSA-N 1 0 355.360 2.170 20 30 FEEDRO N#CCCN(CCC#N)C(=O)C[N@H+]1CCCC[C@@H]1[C@H](O)c1ccccc1 ZINC000370774089 556964480 /nfs/dbraw/zinc/96/44/80/556964480.db2.gz NYKCXQDCNNFUOP-UYAOXDASSA-N 1 0 354.454 2.230 20 30 FEEDRO Cn1cc([C@H]2[C@@H](CNC(=O)c3cccc(CC#N)c3)CCC[N@@H+]2C)cn1 ZINC000370909705 557011779 /nfs/dbraw/zinc/01/17/79/557011779.db2.gz DMIJEJNSIACWMV-IEBWSBKVSA-N 1 0 351.454 2.299 20 30 FEEDRO Cc1ncc(C[N@@H+]2CC[C@@H](NC(=O)c3ccc(C#N)nc3)[C@H](C)C2)s1 ZINC000370962501 557028665 /nfs/dbraw/zinc/02/86/65/557028665.db2.gz OOJYOIPZWKLUOC-SJKOYZFVSA-N 1 0 355.467 2.359 20 30 FEEDRO N#C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CCN1C1CC1 ZINC000370965924 557029928 /nfs/dbraw/zinc/02/99/28/557029928.db2.gz BKLRCDMPWJKQOO-UYAOXDASSA-N 1 0 352.482 2.097 20 30 FEEDRO N#C[C@@H]1CN(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)CCN1C1CC1 ZINC000370970091 557031274 /nfs/dbraw/zinc/03/12/74/557031274.db2.gz VOBNQUDLEBYGOQ-UXHICEINSA-N 1 0 367.497 2.205 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNc1ccc(S(=O)(=O)NC)cn1)C(C)C ZINC000517162515 562077880 /nfs/dbraw/zinc/07/78/80/562077880.db2.gz AURYJSZDHKQHLZ-INIZCTEOSA-N 1 0 352.504 2.100 20 30 FEEDRO N#Cc1cccnc1OC1CCC(NC(=O)NCC[C@H]2CCC[NH2+]2)CC1 ZINC000517225239 562080873 /nfs/dbraw/zinc/08/08/73/562080873.db2.gz OVXJLUWNMYAAFP-KLAILNCOSA-N 1 0 357.458 2.085 20 30 FEEDRO N#CCOc1cccc(CC(=O)N2CCC(CC[NH+]3CCOCC3)CC2)c1 ZINC000371216263 557110023 /nfs/dbraw/zinc/11/00/23/557110023.db2.gz RIPRWXBYPCLTKV-UHFFFAOYSA-N 1 0 371.481 2.092 20 30 FEEDRO Cc1oc(NC(=O)CN2CCC(C)(C[NH+]3CCOCC3)CC2)c(C#N)c1C ZINC000371374153 557165307 /nfs/dbraw/zinc/16/53/07/557165307.db2.gz PRINIYMUUFZNMM-UHFFFAOYSA-N 1 0 374.485 2.141 20 30 FEEDRO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3CC[C@@H](C)C4(CCC4)C3)CC2)o1 ZINC000371440565 557187990 /nfs/dbraw/zinc/18/79/90/557187990.db2.gz RZZXFOOZWUPDTK-OAHLLOKOSA-N 1 0 371.485 2.015 20 30 FEEDRO C[C@@H](NC(=O)C(C)(C)C)C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000371526872 557209810 /nfs/dbraw/zinc/20/98/10/557209810.db2.gz GAJLTDRWYLKOOE-MRXNPFEDSA-N 1 0 370.497 2.212 20 30 FEEDRO Cc1cc(=NC(=O)NC2CC[NH+](Cc3cccs3)CC2)[nH]n1CCC#N ZINC000371527330 557211017 /nfs/dbraw/zinc/21/10/17/557211017.db2.gz VZMCQPNFRPXVNV-UHFFFAOYSA-N 1 0 372.498 2.953 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CC1 ZINC000371707179 557270050 /nfs/dbraw/zinc/27/00/50/557270050.db2.gz NKZCXCFOFVXATP-UHFFFAOYSA-N 1 0 368.416 2.655 20 30 FEEDRO N#Cc1ccc(-n2ccc(NC(=O)N3CC[C@H]([NH+]4CCCC4)C3)n2)c(F)c1 ZINC000371707577 557271095 /nfs/dbraw/zinc/27/10/95/557271095.db2.gz OWQOVTPWRCNXJW-HNNXBMFYSA-N 1 0 368.416 2.585 20 30 FEEDRO CC(C)Oc1ccc(NC(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cc1C#N ZINC000372086088 557376513 /nfs/dbraw/zinc/37/65/13/557376513.db2.gz GGOJIYNVIJWGEO-ZWKOTPCHSA-N 1 0 372.469 2.408 20 30 FEEDRO C=CCN(C(=O)NCCNC(=O)C(C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000372173701 557399433 /nfs/dbraw/zinc/39/94/33/557399433.db2.gz SFDWYUXWXUDWFM-LJQANCHMSA-N 1 0 372.513 2.231 20 30 FEEDRO C[C@@H]1CN(C(=O)Nc2ccc(F)c(C#N)c2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000372353633 557448614 /nfs/dbraw/zinc/44/86/14/557448614.db2.gz AYQNEBSMZQUARZ-KDOFPFPSSA-N 1 0 359.449 2.187 20 30 FEEDRO CC[NH+](CC)[C@H]1CCN(C(=O)Nc2cc(C)n(-c3cccc(C#N)c3)n2)C1 ZINC000372362886 557450282 /nfs/dbraw/zinc/45/02/82/557450282.db2.gz ALOGEKDWBQBAEY-SFHVURJKSA-N 1 0 366.469 3.000 20 30 FEEDRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)C(C)(C)c1cc(F)cc(C#N)c1 ZINC000519170073 562126591 /nfs/dbraw/zinc/12/65/91/562126591.db2.gz IWRWCJAVNQCSRG-OAHLLOKOSA-N 1 0 360.477 2.117 20 30 FEEDRO C=C(C)CN(CC)C(=O)[C@H](C)N[C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000372478313 557480801 /nfs/dbraw/zinc/48/08/01/557480801.db2.gz QBXIMHMMHYDTLH-YDZRNGNQSA-N 1 0 351.535 2.279 20 30 FEEDRO CC[NH+]1CCC(N(C)C(=O)[C@@H]2C[C@@H]3CCCC[C@H]3N2C(=O)CC#N)CC1 ZINC000372954282 557596396 /nfs/dbraw/zinc/59/63/96/557596396.db2.gz LRDNUORRFPLVFQ-JQHSSLGASA-N 1 0 360.502 2.002 20 30 FEEDRO COC(=O)c1cn([C@@H]2CCN(Cc3ccc(F)c(C#N)c3Cl)C2)nn1 ZINC000373012351 557609846 /nfs/dbraw/zinc/60/98/46/557609846.db2.gz IDEBLCHLQIAFME-LLVKDONJSA-N 1 0 363.780 2.176 20 30 FEEDRO C=CCNC(=O)[C@H](C)[NH+]1CCC(c2c[nH]c3ccc(C(N)=O)cc32)CC1 ZINC000373126259 557634068 /nfs/dbraw/zinc/63/40/68/557634068.db2.gz PCBGXSAKDBDYHZ-ZDUSSCGKSA-N 1 0 354.454 2.137 20 30 FEEDRO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CC[C@](O)(c3ccc(F)cc3)C2)cc1 ZINC000373200081 557648580 /nfs/dbraw/zinc/64/85/80/557648580.db2.gz CTRCVCYJYZXWQL-UYAOXDASSA-N 1 0 356.397 2.031 20 30 FEEDRO O=C(C[N@H+]1CC[C@](O)(C2CC2)C1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000373237916 557655804 /nfs/dbraw/zinc/65/58/04/557655804.db2.gz WCGWHDOKADNNBW-GOSISDBHSA-N 1 0 366.383 2.020 20 30 FEEDRO N#Cc1ccc(C(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)cn1 ZINC000373430077 557691858 /nfs/dbraw/zinc/69/18/58/557691858.db2.gz JHIKZTNQOREAFO-UHFFFAOYSA-N 1 0 352.360 2.488 20 30 FEEDRO N#CCc1ccc(OC[C@@H](O)C[NH2+]CCn2cnc3ccccc32)cc1 ZINC000520267742 562152089 /nfs/dbraw/zinc/15/20/89/562152089.db2.gz ZAOMMOFXSWAOSX-KRWDZBQOSA-N 1 0 350.422 2.132 20 30 FEEDRO N#C[C@@H]1COCCN1C(=O)[C@@H]1CC[N@H+](C[C@H]2CCCc3ccccc32)C1 ZINC000373506645 557707021 /nfs/dbraw/zinc/70/70/21/557707021.db2.gz MVINSZBNPKMXRT-GUDVDZBRSA-N 1 0 353.466 2.179 20 30 FEEDRO CN1CCC([N@@H+]2CC[C@H](NC(=O)C[C@H](CC#N)c3ccccc3)C2)CC1 ZINC000373507430 557707878 /nfs/dbraw/zinc/70/78/78/557707878.db2.gz IAHSYEDIVWTFHQ-OALUTQOASA-N 1 0 354.498 2.359 20 30 FEEDRO N#Cc1ccccc1NC(=O)CC[N@@H+]1CC[C@@]2(C1)C(=O)Nc1ccccc12 ZINC000373527973 557711380 /nfs/dbraw/zinc/71/13/80/557711380.db2.gz QYCKKYGMJMLFDK-NRFANRHFSA-N 1 0 360.417 2.483 20 30 FEEDRO C=CCN(C(=O)NCc1ncnn1CC)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000373538699 557713567 /nfs/dbraw/zinc/71/35/67/557713567.db2.gz OYFGMPDWNFNTDA-SFHVURJKSA-N 1 0 368.485 2.270 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2CCC[C@@H]3C[NH2+]CCC[C@H]32)cc1Cl ZINC000373548926 557716288 /nfs/dbraw/zinc/71/62/88/557716288.db2.gz PXALHVMHJMFMOH-CZUORRHYSA-N 1 0 353.875 2.364 20 30 FEEDRO CN1CC[NH2+]C[C@H]1CNC(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000520420887 562156195 /nfs/dbraw/zinc/15/61/95/562156195.db2.gz NJPNAUUCIFQSNQ-KRWDZBQOSA-N 1 0 365.437 2.376 20 30 FEEDRO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000373837110 557770140 /nfs/dbraw/zinc/77/01/40/557770140.db2.gz VWLXFJYUULKWOF-RTBURBONSA-N 1 0 365.518 2.112 20 30 FEEDRO C=CCN(C(=O)[C@H](OC)c1cnn(C)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000373987031 557801966 /nfs/dbraw/zinc/80/19/66/557801966.db2.gz WKAQBLPXRMZBJZ-WOJBJXKFSA-N 1 0 368.481 2.397 20 30 FEEDRO COc1cc(C#N)ccc1OCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(C)=O ZINC000374175766 557837645 /nfs/dbraw/zinc/83/76/45/557837645.db2.gz PHZQHISQGMRVHW-MSOLQXFVSA-N 1 0 357.454 2.421 20 30 FEEDRO Cn1cc([C@@H](O)C[C@@H]2CCC[N@@H+]2Cc2cnc3ccc(C#N)cn23)cn1 ZINC000374259179 557853103 /nfs/dbraw/zinc/85/31/03/557853103.db2.gz ZKJJGIXCAZLHPO-WMZOPIPTSA-N 1 0 350.426 2.028 20 30 FEEDRO N#CCOc1cccc(CC(=O)N2CCN[C@@H](c3cccc(F)c3)C2)c1 ZINC000374311546 557863505 /nfs/dbraw/zinc/86/35/05/557863505.db2.gz CDLZINKWURVGFJ-LJQANCHMSA-N 1 0 353.397 2.444 20 30 FEEDRO N#CC1(c2ccccn2)CCN(C(=O)NCc2ccn3ccnc3c2)CC1 ZINC000374396376 557878355 /nfs/dbraw/zinc/87/83/55/557878355.db2.gz SQLISWUCRGGWRY-UHFFFAOYSA-N 1 0 360.421 2.496 20 30 FEEDRO N#Cc1ccc(OC[C@H](O)C[N@H+]2CCC[C@](CO)(c3ccccc3)C2)cc1 ZINC000374559279 557899764 /nfs/dbraw/zinc/89/97/64/557899764.db2.gz FZZQKHHLCWHALI-IRLDBZIGSA-N 1 0 366.461 2.324 20 30 FEEDRO CN(C)c1ccc(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000374884659 557945821 /nfs/dbraw/zinc/94/58/21/557945821.db2.gz VZXBYBYNQNQUGO-UHFFFAOYSA-N 1 0 363.465 2.436 20 30 FEEDRO CC(C)[C@](C)(C#N)NC(=O)CN(C)C1CC[NH+](CCc2ccncc2)CC1 ZINC000375011729 557963685 /nfs/dbraw/zinc/96/36/85/557963685.db2.gz HXJRGCGIVFAHAP-NRFANRHFSA-N 1 0 371.529 2.075 20 30 FEEDRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)c3ccc(C4(C#N)CC4)cc3)CC2)C1 ZINC000375033578 557967509 /nfs/dbraw/zinc/96/75/09/557967509.db2.gz WXLARUFPRBGKJC-IBGZPJMESA-N 1 0 352.482 2.094 20 30 FEEDRO C[C@H]1C[C@H](CNS(=O)(=O)c2cccnc2C#N)C[N@@H+]1Cc1ccccc1 ZINC000375440147 558027583 /nfs/dbraw/zinc/02/75/83/558027583.db2.gz YLRPOVXZKUUUTA-DOTOQJQBSA-N 1 0 370.478 2.142 20 30 FEEDRO N#Cc1ccc(NC(=O)CC[NH2+][C@H]2CCCC[C@H]2N2CCOCC2)cc1 ZINC000375467125 558032468 /nfs/dbraw/zinc/03/24/68/558032468.db2.gz AZSOVLIIEPSEQL-RBUKOAKNSA-N 1 0 356.470 2.120 20 30 FEEDRO C#CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCC(=O)N[C@H]2c2cncn2C)cc1 ZINC000375517606 558041988 /nfs/dbraw/zinc/04/19/88/558041988.db2.gz XBALDVFOBPFFHF-WIBUTAKZSA-N 1 0 352.438 2.103 20 30 FEEDRO N#Cc1ccc(C[C@@H](C#N)C(=O)NC2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000375918686 558099739 /nfs/dbraw/zinc/09/97/39/558099739.db2.gz WZMWGBGKSPYRKL-FQEVSTJZSA-N 1 0 373.460 2.416 20 30 FEEDRO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)N1CCN(c2ncccc2C#N)CC1 ZINC000521691460 562182324 /nfs/dbraw/zinc/18/23/24/562182324.db2.gz VIODGMSVXAKVAM-IRXDYDNUSA-N 1 0 370.501 2.048 20 30 FEEDRO N#Cc1ccc(S(N)(=O)=O)cc1NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000376433343 558172675 /nfs/dbraw/zinc/17/26/75/558172675.db2.gz HQOLNEKEBMXVRN-MRXNPFEDSA-N 1 0 362.499 2.415 20 30 FEEDRO C#CCN(Cc1ccccc1)C(=O)N=c1ccn(C2CC[NH+](C)CC2)[nH]1 ZINC000376618673 558198657 /nfs/dbraw/zinc/19/86/57/558198657.db2.gz YQXANLPOPXGURQ-UHFFFAOYSA-N 1 0 351.454 2.817 20 30 FEEDRO C[N@@H+]1CC[C@@H](CNC(=O)C2CCN(c3c(F)cc(C#N)cc3F)CC2)C1 ZINC000376640492 558201784 /nfs/dbraw/zinc/20/17/84/558201784.db2.gz IHIZJCDVPNPJGZ-ZDUSSCGKSA-N 1 0 362.424 2.121 20 30 FEEDRO N#Cc1cc(S(=O)(=O)N2CCC[C@]3(CC[NH2+]C3)C2)ccc1C(F)(F)F ZINC000376722037 558213496 /nfs/dbraw/zinc/21/34/96/558213496.db2.gz HKGJIHNQCMBZBA-OAHLLOKOSA-N 1 0 373.400 2.341 20 30 FEEDRO C=CCCCCCCNC(=O)N1CCC([NH2+][C@@H]2CCS(=O)(=O)C2)CC1 ZINC000377044104 558255309 /nfs/dbraw/zinc/25/53/09/558255309.db2.gz OAGDSSNEBKWDRD-QGZVFWFLSA-N 1 0 371.547 2.074 20 30 FEEDRO N#Cc1cc(F)c(N2CCC(C(=O)NCC[N@H+]3CC=CCC3)CC2)c(F)c1 ZINC000377214260 558290417 /nfs/dbraw/zinc/29/04/17/558290417.db2.gz ULRNVCGSZJRKSM-UHFFFAOYSA-N 1 0 374.435 2.431 20 30 FEEDRO Cn1cc([C@@H]2C[N@H+](Cc3cccc(OCCCC#N)c3)C[C@H]2CO)cn1 ZINC000377273411 558303545 /nfs/dbraw/zinc/30/35/45/558303545.db2.gz NREJLDQXDYUZMK-ICSRJNTNSA-N 1 0 354.454 2.311 20 30 FEEDRO C#CCCS(=O)(=O)N[C@@H]1CCN(C2CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000377297073 558309089 /nfs/dbraw/zinc/30/90/89/558309089.db2.gz PORIEOIALDMAAJ-IAGOWNOFSA-N 1 0 354.422 2.185 20 30 FEEDRO CCN(CCC#N)C(=O)C[NH+]1CCC(n2cc(Br)cn2)CC1 ZINC000377593921 558373344 /nfs/dbraw/zinc/37/33/44/558373344.db2.gz UAOXFSXMHMYESA-UHFFFAOYSA-N 1 0 368.279 2.045 20 30 FEEDRO CN1CC[C@H]([NH2+]CCS(=O)(=O)c2cccc(C#N)c2)[C@H]1c1ccccc1 ZINC000377650466 558386710 /nfs/dbraw/zinc/38/67/10/558386710.db2.gz IZAPGWKZPJDTJT-VQTJNVASSA-N 1 0 369.490 2.367 20 30 FEEDRO N#C[C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CCN1Cc1ccccc1 ZINC000377669785 558391677 /nfs/dbraw/zinc/39/16/77/558391677.db2.gz ORUWWVZJSLJSDE-HSALFYBXSA-N 1 0 367.497 2.033 20 30 FEEDRO N#Cc1ccc([C@@H]([NH2+][C@H]2CCCN(c3cccc(F)c3)C2)C(N)=O)cc1 ZINC000522546682 562199659 /nfs/dbraw/zinc/19/96/59/562199659.db2.gz YYYQLLCJFRGKJP-PKOBYXMFSA-N 1 0 352.413 2.482 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC[C@H](NC(=O)CC)C1)C(C)C ZINC000522802717 562203983 /nfs/dbraw/zinc/20/39/83/562203983.db2.gz DHAULMSDCPSZMW-ZWKOTPCHSA-N 1 0 364.534 2.385 20 30 FEEDRO CCc1nc(CN2C[C@H]3C[NH+](CC#Cc4ccc(F)cc4)C[C@@H]3C2)no1 ZINC000378221216 558505140 /nfs/dbraw/zinc/50/51/40/558505140.db2.gz WWVXQXZDDKKMSF-IAGOWNOFSA-N 1 0 354.429 2.186 20 30 FEEDRO C#CCOc1ccc(C[N@@H+](C)C2CCN(CC(=O)N3CCCC3)CC2)cc1 ZINC000378351821 558536708 /nfs/dbraw/zinc/53/67/08/558536708.db2.gz UGGWNYNNGQMPQD-UHFFFAOYSA-N 1 0 369.509 2.217 20 30 FEEDRO COc1ccc(N2CCC([N@H+](C)CCC(=O)N(C)CCC#N)CC2)cc1 ZINC000378417003 558552197 /nfs/dbraw/zinc/55/21/97/558552197.db2.gz USRJXLIFLRCZHI-UHFFFAOYSA-N 1 0 358.486 2.358 20 30 FEEDRO CCOC(=O)c1ccc(C[NH2+]C2CCN(c3ccc(C#N)cn3)CC2)o1 ZINC000378458610 558562052 /nfs/dbraw/zinc/56/20/52/558562052.db2.gz XIEJXHUSWJGCFD-UHFFFAOYSA-N 1 0 354.410 2.482 20 30 FEEDRO CN(C(=O)[C@@H]1CC12CCN(CC(=O)Nc1sccc1C#N)CC2)C1CC1 ZINC000378467732 558564220 /nfs/dbraw/zinc/56/42/20/558564220.db2.gz VZMGFOQVZAQXNU-HNNXBMFYSA-N 1 0 372.494 2.281 20 30 FEEDRO C[NH+]1CCN(c2cc(C[NH2+][C@@H]3CCC[C@@H]4O[C@H](CC#N)C[C@@H]43)ccn2)CC1 ZINC000378466227 558564372 /nfs/dbraw/zinc/56/43/72/558564372.db2.gz ZQUWVVFZAGUKQB-WTGUMLROSA-N 1 0 369.513 2.163 20 30 FEEDRO Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N3CC[N@@H+](C)C[C@@H]3C(C)C)C2)n1 ZINC000408283604 558663858 /nfs/dbraw/zinc/66/38/58/558663858.db2.gz MNIDUTJTCRWLHS-RBUKOAKNSA-N 1 0 369.513 2.277 20 30 FEEDRO CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@@H]1CCCC[C@H]1C[NH+](CC)CC ZINC000409485094 558696352 /nfs/dbraw/zinc/69/63/52/558696352.db2.gz NHARYYYPGZXPCW-YESZJQIVSA-N 1 0 358.552 2.203 20 30 FEEDRO CCN(CCC#N)S(=O)(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000409506353 558698405 /nfs/dbraw/zinc/69/84/05/558698405.db2.gz GGAMKFOJOMTGFH-UHFFFAOYSA-N 1 0 356.536 2.055 20 30 FEEDRO CCN(CCC#N)S(=O)(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000409595606 558706617 /nfs/dbraw/zinc/70/66/17/558706617.db2.gz QUPKGEVOHIJDHP-OAHLLOKOSA-N 1 0 370.544 2.030 20 30 FEEDRO C[C@H](C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1)n1cnc(C#N)n1 ZINC000409694721 558714005 /nfs/dbraw/zinc/71/40/05/558714005.db2.gz NHGPQHMMDKQCJE-LSDHHAIUSA-N 1 0 352.442 2.053 20 30 FEEDRO CCN(CCC#N)S(=O)(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000410150518 558742091 /nfs/dbraw/zinc/74/20/91/558742091.db2.gz CBJSSOJNEVAKGU-UHFFFAOYSA-N 1 0 364.515 2.063 20 30 FEEDRO N#Cc1cccc(NC(=O)NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000524976939 562238955 /nfs/dbraw/zinc/23/89/55/562238955.db2.gz IVZIFSBEOOCBEC-FQEVSTJZSA-N 1 0 350.422 2.317 20 30 FEEDRO C=CC[N@@H+](C)CCN(CC)[C@H]1CCN(c2cc(OC)cc(OC)c2)C1=O ZINC000411646887 558935390 /nfs/dbraw/zinc/93/53/90/558935390.db2.gz WOOOYNPDGGYZNQ-IBGZPJMESA-N 1 0 361.486 2.249 20 30 FEEDRO C=C(C)COc1cccc(NC(=O)C(=O)NCC[C@H]2CCC[N@@H+](C)C2)c1 ZINC000411680561 558942555 /nfs/dbraw/zinc/94/25/55/558942555.db2.gz XOOZSRBHNFKVRC-MRXNPFEDSA-N 1 0 359.470 2.428 20 30 FEEDRO CN(C)c1noc([C@@H]2CCC[N@H+](CCC(=O)Nc3ccccc3C#N)C2)n1 ZINC000411692635 558945340 /nfs/dbraw/zinc/94/53/40/558945340.db2.gz POPVKQOCZGIZOW-OAHLLOKOSA-N 1 0 368.441 2.215 20 30 FEEDRO N#Cc1cccc(NC(=O)CC[NH2+]C2(C(N)=O)C3CC4CC(C3)CC2C4)c1 ZINC000411814071 558968479 /nfs/dbraw/zinc/96/84/79/558968479.db2.gz BWODNPUEPFXPNA-UHFFFAOYSA-N 1 0 366.465 2.157 20 30 FEEDRO CC[C@@](C)(COc1ncccc1Cl)[NH2+]CC(=O)NC1(C#N)CCC1 ZINC000525893723 562258818 /nfs/dbraw/zinc/25/88/18/562258818.db2.gz IMHFYTFRFPPMRA-INIZCTEOSA-N 1 0 350.850 2.435 20 30 FEEDRO C=CCN(CC=C)C(=O)C[NH2+][C@@H](c1ccccc1)C1(CO)CCOCC1 ZINC000412003782 559001333 /nfs/dbraw/zinc/00/13/33/559001333.db2.gz ARFHMFLAZTZHCH-FQEVSTJZSA-N 1 0 358.482 2.307 20 30 FEEDRO CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@H](c1ccccc1)C1(CO)CCOCC1 ZINC000412010492 559002009 /nfs/dbraw/zinc/00/20/09/559002009.db2.gz QRBBGCVHLBHYEY-WOJBJXKFSA-N 1 0 373.497 2.161 20 30 FEEDRO COC(=O)[C@H]1CSCC[N@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000412086044 559011450 /nfs/dbraw/zinc/01/14/50/559011450.db2.gz UXRNTQIIQFNCOD-QGZVFWFLSA-N 1 0 370.478 2.297 20 30 FEEDRO CC[N@@H+]1CC[C@@H](NC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)C1 ZINC000413263698 559093303 /nfs/dbraw/zinc/09/33/03/559093303.db2.gz MSQHBGOWZWZDBG-HZPDHXFCSA-N 1 0 359.449 2.060 20 30 FEEDRO N#CCC1(CNC(=O)NCC2(O)CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000413513214 559113231 /nfs/dbraw/zinc/11/32/31/559113231.db2.gz KYOQHMXGOJZJIM-UHFFFAOYSA-N 1 0 356.470 2.007 20 30 FEEDRO N#CC[C@@H]1CC[C@H](NC(=O)NCC2(O)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000413590199 559118777 /nfs/dbraw/zinc/11/87/77/559118777.db2.gz QJCQQBWHCCDVNT-HKUYNNGSSA-N 1 0 370.497 2.395 20 30 FEEDRO C[NH2+][C@H](C)Cc1noc(COc2ccc(C#N)c(Br)c2)n1 ZINC000414646191 559177029 /nfs/dbraw/zinc/17/70/29/559177029.db2.gz OTKQYMIUXQSONA-SECBINFHSA-N 1 0 351.204 2.433 20 30 FEEDRO Cc1cccc(NC(=O)C(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)c1C#N ZINC000527076426 562275748 /nfs/dbraw/zinc/27/57/48/562275748.db2.gz BVHNVDNOPFRRAW-UHFFFAOYSA-N 1 0 356.470 2.384 20 30 FEEDRO C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000415117910 559206194 /nfs/dbraw/zinc/20/61/94/559206194.db2.gz CPEDYBSVDYCZDZ-SKDRFNHKSA-N 1 0 354.357 2.394 20 30 FEEDRO C=C(C)CN(Cc1ccc(CO)o1)C(=O)C(=O)Nc1ccccc1C[NH2+]C ZINC000415234368 559216920 /nfs/dbraw/zinc/21/69/20/559216920.db2.gz UFYHDCQIQWDYKQ-UHFFFAOYSA-N 1 0 371.437 2.035 20 30 FEEDRO N#CCCCOc1cccc(NC(=O)C(=O)NCC2([NH3+])CCCCCC2)c1 ZINC000415312351 559223295 /nfs/dbraw/zinc/22/32/95/559223295.db2.gz GCZOGYHAMPRJIY-UHFFFAOYSA-N 1 0 372.469 2.476 20 30 FEEDRO C[NH2+][C@H]1CCCN(C(=O)C(=O)Nc2cccc(C#Cc3ccccc3)c2)C1 ZINC000415354280 559226786 /nfs/dbraw/zinc/22/67/86/559226786.db2.gz DXIRXPJMOMNHJO-FQEVSTJZSA-N 1 0 361.445 2.235 20 30 FEEDRO C[NH2+][C@H]1CCCN(C(=O)C(=O)Nc2ccccc2S[C@@H](C)CC#N)C1 ZINC000415375028 559228713 /nfs/dbraw/zinc/22/87/13/559228713.db2.gz LBZDGPHHFRQPLM-KBPBESRZSA-N 1 0 360.483 2.230 20 30 FEEDRO N#Cc1ccc(Oc2ccc(NC(=O)C(=O)NC[C@@H]3CCC[NH2+]3)cc2)cc1 ZINC000415376738 559228943 /nfs/dbraw/zinc/22/89/43/559228943.db2.gz LJXZCYOYQAYPHK-INIZCTEOSA-N 1 0 364.405 2.157 20 30 FEEDRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 ZINC000415405485 559232148 /nfs/dbraw/zinc/23/21/48/559232148.db2.gz CJMUAGZCZVPDSJ-CQSZACIVSA-N 1 0 366.421 2.261 20 30 FEEDRO C[NH2+]C[C@H](C)CNC(=O)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000415409108 559232464 /nfs/dbraw/zinc/23/24/64/559232464.db2.gz DDYCADLFNUHDNF-AWEZNQCLSA-N 1 0 366.421 2.261 20 30 FEEDRO C[C@H]1CN(C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)CC[C@@H]1[NH3+] ZINC000415437475 559236872 /nfs/dbraw/zinc/23/68/72/559236872.db2.gz CAZXIFGBYXYKKB-FZMZJTMJSA-N 1 0 358.833 2.598 20 30 FEEDRO N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)NCCC[C@@H]2CCC[NH2+]2)n1 ZINC000415443749 559237519 /nfs/dbraw/zinc/23/75/19/559237519.db2.gz GALJNLQGYLSEFG-HNNXBMFYSA-N 1 0 372.860 3.051 20 30 FEEDRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 ZINC000415445733 559237822 /nfs/dbraw/zinc/23/78/22/559237822.db2.gz SOOXUBUEDSICSG-SWLSCSKDSA-N 1 0 356.405 2.617 20 30 FEEDRO N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N[C@@H](C[NH3+])C3CC3)cc2)cc1 ZINC000415445440 559237835 /nfs/dbraw/zinc/23/78/35/559237835.db2.gz FIEJCXRSFFXKRG-SFHVURJKSA-N 1 0 364.405 2.143 20 30 FEEDRO N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)n1 ZINC000415461723 559239714 /nfs/dbraw/zinc/23/97/14/559239714.db2.gz OJQMHCOWTDMPMJ-BXUZGUMPSA-N 1 0 358.833 2.646 20 30 FEEDRO C[C@]1(CNC(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)CCC[NH2+]C1 ZINC000415467490 559240321 /nfs/dbraw/zinc/24/03/21/559240321.db2.gz VKIAEKRFLBZHCY-SFHVURJKSA-N 1 0 372.860 2.909 20 30 FEEDRO C[NH2+]C[C@H]1CCCN1C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 ZINC000415468017 559240391 /nfs/dbraw/zinc/24/03/91/559240391.db2.gz VXVVMQNFJQAKAZ-CQSZACIVSA-N 1 0 358.833 2.613 20 30 FEEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000415551476 559248846 /nfs/dbraw/zinc/24/88/46/559248846.db2.gz DONUDRJQBROBRE-MGPQQGTHSA-N 1 0 360.483 2.228 20 30 FEEDRO C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000415601632 559254261 /nfs/dbraw/zinc/25/42/61/559254261.db2.gz PXJSYYAVUNUYPY-MCIONIFRSA-N 1 0 364.471 2.011 20 30 FEEDRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)Nc1cccc(C#Cc2ccccc2)c1 ZINC000415660193 559259130 /nfs/dbraw/zinc/25/91/30/559259130.db2.gz PHJVTNKMCZMRSN-JXFKEZNVSA-N 1 0 361.445 2.139 20 30 FEEDRO CC[NH2+][C@H](C)CNC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000415663092 559259388 /nfs/dbraw/zinc/25/93/88/559259388.db2.gz XWPNINWOTMASLC-CQSZACIVSA-N 1 0 366.421 2.403 20 30 FEEDRO C=C(C)COc1cccc(NC(=O)C(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)c1 ZINC000415751108 559267732 /nfs/dbraw/zinc/26/77/32/559267732.db2.gz VRGMCPVADZSFTD-ZWKOTPCHSA-N 1 0 357.454 2.084 20 30 FEEDRO CC(C)[C@@H]1CCc2c(sc(NC(=O)C(=O)N[C@H](C)[C@@H](C)[NH3+])c2C#N)C1 ZINC000415800164 559272425 /nfs/dbraw/zinc/27/24/25/559272425.db2.gz FCMLNTULJHVLGR-IJLUTSLNSA-N 1 0 362.499 2.171 20 30 FEEDRO Cc1ccc(C#N)cc1NC(=O)C(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1 ZINC000415848362 559278060 /nfs/dbraw/zinc/27/80/60/559278060.db2.gz CYLAQARELHHCRK-QGZVFWFLSA-N 1 0 354.454 2.042 20 30 FEEDRO CC(C)Oc1ccc(NC(=O)N2C[C@@H](C)[N@H+](CCO)C[C@H]2C)cc1C#N ZINC000416931501 559338943 /nfs/dbraw/zinc/33/89/43/559338943.db2.gz LQNYWBBAMJWZRY-HUUCEWRRSA-N 1 0 360.458 2.264 20 30 FEEDRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)C1 ZINC000417570206 559367137 /nfs/dbraw/zinc/36/71/37/559367137.db2.gz DANSBRZTESQMPG-NUEKZKHPSA-N 1 0 359.449 2.045 20 30 FEEDRO C[C@@H]1CCN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)C[C@@H]1C[NH3+] ZINC000417573281 559367268 /nfs/dbraw/zinc/36/72/68/559367268.db2.gz HDLQRBWXXOSYFM-HYVNUMGLSA-N 1 0 373.476 2.292 20 30 FEEDRO C[C@H]([NH3+])C1CCN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)CC1 ZINC000417572746 559367332 /nfs/dbraw/zinc/36/73/32/559367332.db2.gz GLQXFLUCOSYZTD-WMLDXEAASA-N 1 0 373.476 2.435 20 30 FEEDRO C[NH2+][C@H]1CCCN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)C1 ZINC000417579981 559367630 /nfs/dbraw/zinc/36/76/30/559367630.db2.gz QIWHLNMFYKWJJI-HOTGVXAUSA-N 1 0 359.449 2.060 20 30 FEEDRO C=CCOc1ccc(CNC(=O)N2C[C@@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000418172003 559392952 /nfs/dbraw/zinc/39/29/52/559392952.db2.gz WBLMPAKNGILURT-QGZVFWFLSA-N 1 0 359.470 2.148 20 30 FEEDRO N#Cc1cccc([C@@H]2CN(C(=O)NC[C@@H]([NH3+])c3ccccc3)CCO2)c1 ZINC000418426502 559401036 /nfs/dbraw/zinc/40/10/36/559401036.db2.gz JZOPYGUJFAEDIU-MOPGFXCFSA-N 1 0 350.422 2.341 20 30 FEEDRO C[C@@H]([NH3+])c1ccc(CNC(=O)N2CCN(c3cc(C#N)ccn3)CC2)cc1 ZINC000418460636 559402607 /nfs/dbraw/zinc/40/26/07/559402607.db2.gz KJHOOHMQKCQXMC-OAHLLOKOSA-N 1 0 364.453 2.005 20 30 FEEDRO C[C@@H](NC(=O)C(=O)N(C)[C@@H](C)C[NH3+])c1ccc(-c2cccc(C#N)c2)cc1 ZINC000419208276 559432670 /nfs/dbraw/zinc/43/26/70/559432670.db2.gz NYCGNOOZOIYIOD-LSDHHAIUSA-N 1 0 364.449 2.208 20 30 FEEDRO C=C(C)[C@H](NC(=O)C(=O)N1CCC[C@H](C[NH2+]C)C1)c1ccc(F)c(F)c1 ZINC000419675866 559453370 /nfs/dbraw/zinc/45/33/70/559453370.db2.gz KTOAGPGKLXVTOY-DYVFJYSZSA-N 1 0 365.424 2.156 20 30 FEEDRO C=CCC[C@@H]1NC(=O)N([C@H]2CC[N@@H+](Cc3cc(OC)cc(OC)c3)C2)C1=O ZINC000419948648 559465915 /nfs/dbraw/zinc/46/59/15/559465915.db2.gz KKTZZBALKYZDKU-YJBOKZPZSA-N 1 0 373.453 2.165 20 30 FEEDRO C=CC[C@H]1N(C(=O)C(=O)NCc2ccc3c(c2)C[NH2+]C3)CCCC1(C)C ZINC000420106806 559473011 /nfs/dbraw/zinc/47/30/11/559473011.db2.gz VDVVALMXVSBMBO-GOSISDBHSA-N 1 0 355.482 2.499 20 30 FEEDRO CCC(CC)(C[NH3+])NS(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000420422963 559486903 /nfs/dbraw/zinc/48/69/03/559486903.db2.gz QREINGCNEMTGCZ-UHFFFAOYSA-N 1 0 360.277 2.117 20 30 FEEDRO N#Cc1c(Cl)cccc1S(=O)(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420457526 559488534 /nfs/dbraw/zinc/48/85/34/559488534.db2.gz OSWRJZWPIFRXIK-OLZOCXBDSA-N 1 0 353.875 2.222 20 30 FEEDRO Cc1cc(C#N)ccc1S(=O)(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000420473805 559489473 /nfs/dbraw/zinc/48/94/73/559489473.db2.gz WQHHCVMAAXWMFY-DLBZAZTESA-N 1 0 359.426 2.121 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)cc1C(F)(F)F ZINC000420477091 559489689 /nfs/dbraw/zinc/48/96/89/559489689.db2.gz YYCRZVHYVANLQT-ZYHUDNBSSA-N 1 0 361.389 2.373 20 30 FEEDRO N#Cc1cc(S(=O)(=O)NC[C@H]2CCC[C@H]([NH3+])C2)ccc1C(F)(F)F ZINC000420477206 559489704 /nfs/dbraw/zinc/48/97/04/559489704.db2.gz ZNNIBMNFGNZLRA-JQWIXIFHSA-N 1 0 361.389 2.373 20 30 FEEDRO C[C@H](c1nc(-c2ccccc2)no1)N1CCN(c2cncc(C#N)n2)CC1 ZINC000420583509 559492913 /nfs/dbraw/zinc/49/29/13/559492913.db2.gz JAZYATMTOOLQNE-CQSZACIVSA-N 1 0 361.409 2.281 20 30 FEEDRO CN(C[C@H]1CCC[N@@H+]1C)S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000420757852 559502630 /nfs/dbraw/zinc/50/26/30/559502630.db2.gz CAKSGLHQAJIQBX-CYBMUJFWSA-N 1 0 361.389 2.292 20 30 FEEDRO COc1c[nH+]ccc1N1CCN(C(=O)NCc2ccc(C#N)s2)CC1 ZINC000420886038 559509363 /nfs/dbraw/zinc/50/93/63/559509363.db2.gz KCGFLSQIBLARJQ-UHFFFAOYSA-N 1 0 357.439 2.055 20 30 FEEDRO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2C[C@H](C)C[C@@H](CO)C2)cc1 ZINC000420936138 559512476 /nfs/dbraw/zinc/51/24/76/559512476.db2.gz KKXKJPJTRALOHB-IAGOWNOFSA-N 1 0 359.470 2.282 20 30 FEEDRO C[NH+](C)[C@H]1CCc2cc(NC(=O)C(=O)NCc3ccc(C#N)s3)ccc21 ZINC000421250749 559533574 /nfs/dbraw/zinc/53/35/74/559533574.db2.gz XRQDGARKMLEBAE-KRWDZBQOSA-N 1 0 368.462 2.424 20 30 FEEDRO N#Cc1ccc(C[NH2+]CC(=O)N2CCN(c3ccccc3)CC2)cc1F ZINC000421328088 559539279 /nfs/dbraw/zinc/53/92/79/559539279.db2.gz RPJZCORGWLTFPP-UHFFFAOYSA-N 1 0 352.413 2.136 20 30 FEEDRO C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000422409984 559586114 /nfs/dbraw/zinc/58/61/14/559586114.db2.gz FQYCLGLBEIZLOK-CGTJXYLNSA-N 1 0 355.482 2.031 20 30 FEEDRO C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000422409991 559586164 /nfs/dbraw/zinc/58/61/64/559586164.db2.gz FQYCLGLBEIZLOK-KBAYOESNSA-N 1 0 355.482 2.031 20 30 FEEDRO C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000422432130 559587950 /nfs/dbraw/zinc/58/79/50/559587950.db2.gz MDFJLWBSPNHTAM-ICSRJNTNSA-N 1 0 369.509 2.423 20 30 FEEDRO CN(C(=O)C(=O)NCC(C)(C)CC#N)C1CC[NH+](Cc2ccccc2)CC1 ZINC000422481371 559591061 /nfs/dbraw/zinc/59/10/61/559591061.db2.gz PIIQPHAFZZUVML-UHFFFAOYSA-N 1 0 370.497 2.165 20 30 FEEDRO C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000422543886 559594098 /nfs/dbraw/zinc/59/40/98/559594098.db2.gz PSAKUQYWARZEPR-OALUTQOASA-N 1 0 357.498 2.090 20 30 FEEDRO C[C@@H]([NH2+][C@@H](C)c1cccc(N2CCCC2=O)c1)C(=O)NC1(C#N)CCC1 ZINC000527299036 562284243 /nfs/dbraw/zinc/28/42/43/562284243.db2.gz ZYHPMEJMZLNZJZ-LSDHHAIUSA-N 1 0 354.454 2.415 20 30 FEEDRO C[C@H](C(=O)NC1(C#N)CCC1)N(C)[C@H]1CCCN(c2ccccc2)C1=O ZINC000527298320 562284345 /nfs/dbraw/zinc/28/43/45/562284345.db2.gz ASOVSZGKWMNKMK-WBVHZDCISA-N 1 0 354.454 2.065 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000423011859 559615120 /nfs/dbraw/zinc/61/51/20/559615120.db2.gz BRGNKTUIIKGEPT-MRXNPFEDSA-N 1 0 361.511 2.111 20 30 FEEDRO C=CCN(CCc1ccccc1)C(=O)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000423188201 559622432 /nfs/dbraw/zinc/62/24/32/559622432.db2.gz NGOIYZACKWCFTF-HXUWFJFHSA-N 1 0 369.509 2.234 20 30 FEEDRO C=CCN(Cc1ccccc1F)C(=O)C(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000423188191 559622457 /nfs/dbraw/zinc/62/24/57/559622457.db2.gz PTRZCUBLTGGYGB-SJORKVTESA-N 1 0 373.472 2.188 20 30 FEEDRO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000423564359 559632318 /nfs/dbraw/zinc/63/23/18/559632318.db2.gz SMDAYWWTZNIJPF-LJQANCHMSA-N 1 0 368.481 2.006 20 30 FEEDRO CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)[C@H]([NH3+])CCCC#N ZINC000424072101 559653656 /nfs/dbraw/zinc/65/36/56/559653656.db2.gz CHSIMDZBFWKHFS-GFCCVEGCSA-N 1 0 357.241 2.411 20 30 FEEDRO N#CCCC[C@H]([NH3+])C(=O)N[C@@H]1COc2cc(F)c(Br)cc21 ZINC000424181344 559657015 /nfs/dbraw/zinc/65/70/15/559657015.db2.gz CAASGDHHPSJSHH-NWDGAFQWSA-N 1 0 356.195 2.159 20 30 FEEDRO C[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000424333485 559661495 /nfs/dbraw/zinc/66/14/95/559661495.db2.gz UIXAIXUFIXCDLY-YQQAZPJKSA-N 1 0 363.483 2.050 20 30 FEEDRO C=CCCn1cc(C(=O)Nc2cccc(NC(=O)C[NH+](CC)CC)c2)nn1 ZINC000424850437 559678580 /nfs/dbraw/zinc/67/85/80/559678580.db2.gz MSYNMIUCAKYIAZ-UHFFFAOYSA-N 1 0 370.457 2.387 20 30 FEEDRO C=CC[N@H+](Cc1cnc(N(C)C)n1C)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000425342299 559697583 /nfs/dbraw/zinc/69/75/83/559697583.db2.gz YXLMCHSUXHGJIY-OAHLLOKOSA-N 1 0 366.473 2.211 20 30 FEEDRO C=CCn1cc(CNC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)nn1 ZINC000425422562 559701288 /nfs/dbraw/zinc/70/12/88/559701288.db2.gz PHLXPRSDYJFBHR-UHFFFAOYSA-N 1 0 368.485 2.176 20 30 FEEDRO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+](C)CCCN1C(=O)c2ccccc2C1=O ZINC000425543908 559708886 /nfs/dbraw/zinc/70/88/86/559708886.db2.gz PBXIQAHYHAOOPS-MRXNPFEDSA-N 1 0 369.465 2.194 20 30 FEEDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N(C)[C@H](C)c1cccc(C#N)c1 ZINC000425883588 559723849 /nfs/dbraw/zinc/72/38/49/559723849.db2.gz MRCMABLJPUQGRW-BRWVUGGUSA-N 1 0 370.497 2.314 20 30 FEEDRO C[C@H](CNC(=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1)[NH+](C)C ZINC000425953057 559725931 /nfs/dbraw/zinc/72/59/31/559725931.db2.gz JDYIAOSRTUPVRI-CQSZACIVSA-N 1 0 366.421 2.355 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)NC[C@@]2(CO)C[C@H]2c2ccc(F)cc2)CC1 ZINC000428591678 559779278 /nfs/dbraw/zinc/77/92/78/559779278.db2.gz RMRYWNFPIXNQKH-AZUAARDMSA-N 1 0 361.461 2.241 20 30 FEEDRO CCc1ccc([C@@H](CNS(=O)(=O)N(C)CCC#N)[NH+](CC)CC)cc1 ZINC000431584544 559841969 /nfs/dbraw/zinc/84/19/69/559841969.db2.gz ITJDISPAOLZYRD-GOSISDBHSA-N 1 0 366.531 2.312 20 30 FEEDRO C[NH+](C)[C@H](CC(=O)N1CCN(c2ncccc2C#N)CC1)c1ccccc1 ZINC000431625269 559842867 /nfs/dbraw/zinc/84/28/67/559842867.db2.gz YSLFNTVELJNTDP-LJQANCHMSA-N 1 0 363.465 2.295 20 30 FEEDRO CCN1CC[NH+](C[C@H](C)CNC(=O)[C@@H](C#N)CCc2ccccc2)CC1 ZINC000433358542 559878513 /nfs/dbraw/zinc/87/85/13/559878513.db2.gz BUTBCZNDGPFUQS-UYAOXDASSA-N 1 0 356.514 2.149 20 30 FEEDRO C[NH+](C)C1(CNC(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)CCCCC1 ZINC000434656626 559904764 /nfs/dbraw/zinc/90/47/64/559904764.db2.gz NIYIEOYSTNVMSM-UHFFFAOYSA-N 1 0 373.501 2.434 20 30 FEEDRO CCOCCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccc(C#N)s2)[C@@H](C)C1 ZINC000435436740 559922970 /nfs/dbraw/zinc/92/29/70/559922970.db2.gz GTLMDWDEFXBEOC-DZGCQCFKSA-N 1 0 371.528 2.035 20 30 FEEDRO CCS(=O)(=O)C[C@H](C)[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000437105537 559960604 /nfs/dbraw/zinc/96/06/04/559960604.db2.gz SGFKTJZLSNQSHZ-JEYLPNPQSA-N 1 0 351.472 2.056 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CC[C@H](OCC[NH+](CC)CC)C1 ZINC000438061928 559973597 /nfs/dbraw/zinc/97/35/97/559973597.db2.gz VLRYMLAJJWFXSL-BZSNNMDCSA-N 1 0 353.507 2.110 20 30 FEEDRO C[C@@H](C#N)CN(C(=O)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1)C1CC1 ZINC000441927882 560041169 /nfs/dbraw/zinc/04/11/69/560041169.db2.gz XSMZZPLOEZFYLO-INIZCTEOSA-N 1 0 368.481 2.414 20 30 FEEDRO C[C@@H](C#N)CN(C(=O)C(=O)Nc1cccc(CC[N@H+](C)C2CC2)c1)C1CC1 ZINC000441940996 560041260 /nfs/dbraw/zinc/04/12/60/560041260.db2.gz GDJGBPPMVZYWLW-HNNXBMFYSA-N 1 0 368.481 2.412 20 30 FEEDRO COC1CC[NH+](C(C)(C)CNS(=O)(=O)c2cccc(C)c2C#N)CC1 ZINC000443068731 560069290 /nfs/dbraw/zinc/06/92/90/560069290.db2.gz LITQZPOMZPOAID-UHFFFAOYSA-N 1 0 365.499 2.034 20 30 FEEDRO C[NH+](C)CCc1ccccc1NC(=O)C(=O)NCc1cc(C#N)ccc1F ZINC000446048422 560138528 /nfs/dbraw/zinc/13/85/28/560138528.db2.gz UDNLLGFTNOCYBY-UHFFFAOYSA-N 1 0 368.412 2.056 20 30 FEEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@H](CO)[C@H]1CCCO1 ZINC000447919305 560172975 /nfs/dbraw/zinc/17/29/75/560172975.db2.gz DQKWZALNOWJWLW-FVQBIDKESA-N 1 0 363.483 2.149 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N2CCc3nc(C(C)(C)C)ncc3C2)CC1 ZINC000527768629 562303192 /nfs/dbraw/zinc/30/31/92/562303192.db2.gz QWUSCYDCXFLJFG-UHFFFAOYSA-N 1 0 357.502 2.492 20 30 FEEDRO CC(C)[NH+](CCNC(=O)C1CCN(C(=O)[C@]2(C#N)C[C@@H]2C)CC1)C(C)C ZINC000448805816 560200526 /nfs/dbraw/zinc/20/05/26/560200526.db2.gz PYZBBFHPYSZIKS-JXFKEZNVSA-N 1 0 362.518 2.010 20 30 FEEDRO CN(C)C(=O)c1ccc(C[NH2+]C2(c3ccc(C#N)cc3)CCOCC2)[nH]1 ZINC000527812366 562304954 /nfs/dbraw/zinc/30/49/54/562304954.db2.gz QVVBSMWLNZZLQS-UHFFFAOYSA-N 1 0 352.438 2.384 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1ccc(O[C@H](C)C(=O)N(C)C)c(OCC)c1 ZINC000449520767 560232667 /nfs/dbraw/zinc/23/26/67/560232667.db2.gz QBNHJJMCXQKZGO-OIISXLGYSA-N 1 0 362.470 2.374 20 30 FEEDRO C[NH+](C)[C@H]1CCCN(C(=O)COc2ccc(C#N)c(Br)c2)C1 ZINC000449835382 560241940 /nfs/dbraw/zinc/24/19/40/560241940.db2.gz PHLSDVHEGJHMQW-ZDUSSCGKSA-N 1 0 366.259 2.252 20 30 FEEDRO CC[N@H+](CCNC(=O)COc1ccc(C#N)c(Br)c1)C1CC1 ZINC000449841417 560242125 /nfs/dbraw/zinc/24/21/25/560242125.db2.gz VKKYHIVDRUMPME-UHFFFAOYSA-N 1 0 366.259 2.300 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000450070508 560249860 /nfs/dbraw/zinc/24/98/60/560249860.db2.gz ZRRWVMAABHETLO-DKKFBQAASA-N 1 0 350.503 2.315 20 30 FEEDRO C[C@H]1C[NH+](CCOc2ccc(CCNc3nccc(C#N)n3)cc2)C[C@@H]1C ZINC000450418158 560261667 /nfs/dbraw/zinc/26/16/67/560261667.db2.gz DXAADAAUYUTGJD-IRXDYDNUSA-N 1 0 365.481 2.969 20 30 FEEDRO CN(C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1)c1ncc(C#N)cc1[N+](=O)[O-] ZINC000450454082 560262729 /nfs/dbraw/zinc/26/27/29/560262729.db2.gz NMXGUEAKRYAKLK-WMLDXEAASA-N 1 0 369.429 2.114 20 30 FEEDRO C=C(C)CCNc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000450708374 560270913 /nfs/dbraw/zinc/27/09/13/560270913.db2.gz CTWAVUDZYLVVEI-UHFFFAOYSA-N 1 0 370.475 2.203 20 30 FEEDRO COc1cc(OC)c2ncc(C#N)c(N3C[C@@H](C)[N@@H+](CCO)[C@@H](C)C3)c2c1 ZINC000450798356 560273673 /nfs/dbraw/zinc/27/36/73/560273673.db2.gz UXCUXNFFYPABBN-OKILXGFUSA-N 1 0 370.453 2.015 20 30 FEEDRO CC(C)(CNS(=O)(=O)Cc1ccc(F)cc1C#N)[NH+]1CCCCC1 ZINC000451036892 560283864 /nfs/dbraw/zinc/28/38/64/560283864.db2.gz MWVHLNLZFPZPMR-UHFFFAOYSA-N 1 0 353.463 2.381 20 30 FEEDRO CC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2ccc(CC#N)cc2Cl)C1 ZINC000451290560 560298416 /nfs/dbraw/zinc/29/84/16/560298416.db2.gz ZJCCHPDVVSLBOK-CQSZACIVSA-N 1 0 355.891 2.368 20 30 FEEDRO CC(=O)N1CCC[N@H+](C[C@H]2CCCN(Cc3ccc(F)cc3C#N)C2)CC1 ZINC000451530161 560312409 /nfs/dbraw/zinc/31/24/09/560312409.db2.gz HMABASVGFRYASO-GOSISDBHSA-N 1 0 372.488 2.464 20 30 FEEDRO C=CCNC(=O)c1cccc(S(=O)(=O)NC(C)(C)CCC[NH+](C)C)c1 ZINC000451886838 560334742 /nfs/dbraw/zinc/33/47/42/560334742.db2.gz JCXVHKWWKIFLHU-UHFFFAOYSA-N 1 0 367.515 2.001 20 30 FEEDRO C=C(C)Cn1c([C@@H]2CCCO2)nnc1N1CC[N@H+](CCOC)[C@H](CC)C1 ZINC000453465615 560387367 /nfs/dbraw/zinc/38/73/67/560387367.db2.gz NJEAQPJDXXCNNG-SJORKVTESA-N 1 0 363.506 2.253 20 30 FEEDRO Cc1cc(C#N)cc(NC(=O)C(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)c1 ZINC000453585176 560389765 /nfs/dbraw/zinc/38/97/65/560389765.db2.gz XDBLVBJTSTTZOF-SFHVURJKSA-N 1 0 368.412 2.363 20 30 FEEDRO CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)C1 ZINC000453599162 560390452 /nfs/dbraw/zinc/39/04/52/560390452.db2.gz BXFPXHDUTHNRBQ-MRXNPFEDSA-N 1 0 372.469 2.275 20 30 FEEDRO C[NH+](C)Cc1cccc(CNC(=O)C(=O)Nc2cccc(CC#N)c2)c1 ZINC000453607242 560390794 /nfs/dbraw/zinc/39/07/94/560390794.db2.gz YZOQPXHBQYOIOX-UHFFFAOYSA-N 1 0 350.422 2.069 20 30 FEEDRO C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)CC[N@@H+]1C ZINC000453666043 560394885 /nfs/dbraw/zinc/39/48/85/560394885.db2.gz WBQBKQTZPVOVHB-CJNGLKHVSA-N 1 0 372.469 2.273 20 30 FEEDRO C[C@H]1C[C@H](N(C)C(=O)C(=O)Nc2ccc(CC#N)cc2Cl)CC[N@@H+]1C ZINC000453713408 560399015 /nfs/dbraw/zinc/39/90/15/560399015.db2.gz IFBARBBEZMUTEX-GXTWGEPZSA-N 1 0 362.861 2.286 20 30 FEEDRO C[C@@H]1[C@@H](C)N(C(=O)C(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)CCN1C ZINC000453771418 560403119 /nfs/dbraw/zinc/40/31/19/560403119.db2.gz UODIGZFYDJGTMI-ZIAGYGMSSA-N 1 0 372.469 2.225 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1NC(=O)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000453960883 560417003 /nfs/dbraw/zinc/41/70/03/560417003.db2.gz ZFOUCNOGFHKMTC-MSOLQXFVSA-N 1 0 357.454 2.071 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N2C[C@@H](C(=O)OC)[C@@H](c3ccccc3)C2)CC1 ZINC000454536864 560448715 /nfs/dbraw/zinc/44/87/15/560448715.db2.gz GOLFHVBUIJGQBK-RTBURBONSA-N 1 0 371.481 2.235 20 30 FEEDRO C=C(C)CNC(=O)NCC1([NH+]2CCN(c3ccccc3)CC2)CCOCC1 ZINC000454840665 560460310 /nfs/dbraw/zinc/46/03/10/560460310.db2.gz RREOUBNCEYAVAS-UHFFFAOYSA-N 1 0 372.513 2.233 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1ccnc(OCC(F)(F)F)n1 ZINC000455968810 560502578 /nfs/dbraw/zinc/50/25/78/560502578.db2.gz CXKKBPNHQLZMPV-UHFFFAOYSA-N 1 0 374.367 2.117 20 30 FEEDRO CC[C@H](C)[NH+]1CCN(C(=O)[C@H]2CCCN(c3nc(C)ccc3C#N)C2)CC1 ZINC000456524099 560523250 /nfs/dbraw/zinc/52/32/50/560523250.db2.gz GGCMJCSHIVNSSS-HKUYNNGSSA-N 1 0 369.513 2.421 20 30 FEEDRO CC[C@@H](C)[NH+]1CCN(C(=O)[C@H]2CCCN(c3nc(C)ccc3C#N)C2)CC1 ZINC000456524101 560523270 /nfs/dbraw/zinc/52/32/70/560523270.db2.gz GGCMJCSHIVNSSS-MJGOQNOKSA-N 1 0 369.513 2.421 20 30 FEEDRO N#Cc1cnc(C(=O)N2CCC(CC[NH+]3CCOCC3)CC2)c(Cl)c1 ZINC000456678248 560528565 /nfs/dbraw/zinc/52/85/65/560528565.db2.gz UAPANDFPYRXVOT-UHFFFAOYSA-N 1 0 362.861 2.181 20 30 FEEDRO COCCN(CC#N)C(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000457204743 560555758 /nfs/dbraw/zinc/55/57/58/560555758.db2.gz PPCXOUHEACSJJQ-UHFFFAOYSA-N 1 0 368.481 2.406 20 30 FEEDRO C=C(C)[C@H]1OCCC[C@H]1C(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000457504698 560571136 /nfs/dbraw/zinc/57/11/36/560571136.db2.gz MUWOHZAKEGAQOH-IYWMVGAKSA-N 1 0 363.546 2.375 20 30 FEEDRO N#Cc1cccnc1-n1cc(NC(=O)C2C[NH+](C3CCCCC3)C2)cn1 ZINC000457734605 560584759 /nfs/dbraw/zinc/58/47/59/560584759.db2.gz FRULMWFDXWCSFF-UHFFFAOYSA-N 1 0 350.426 2.342 20 30 FEEDRO C=C(C)[C@H]1OCCC[C@H]1C(=O)NCc1ccncc1OCCC[NH+](C)C ZINC000457819905 560589332 /nfs/dbraw/zinc/58/93/32/560589332.db2.gz XBQGZVKUFAVMAF-IEBWSBKVSA-N 1 0 361.486 2.400 20 30 FEEDRO CC(C)(C)OC(=O)[C@@]1(C)CC[N@H+](C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000459585142 560696165 /nfs/dbraw/zinc/69/61/65/560696165.db2.gz OUGWQIQOQJXVAU-JXFKEZNVSA-N 1 0 360.454 2.352 20 30 FEEDRO C=CCc1ccc(OC[C@@H](O)C[N@@H+](C)C2CCN(OC)CC2)c(OC)c1 ZINC000459593429 560696636 /nfs/dbraw/zinc/69/66/36/560696636.db2.gz WSZPOXWYQSIREA-SFHVURJKSA-N 1 0 364.486 2.121 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000459868723 560714977 /nfs/dbraw/zinc/71/49/77/560714977.db2.gz ODOWORXIODJFPA-INIZCTEOSA-N 1 0 361.511 2.207 20 30 FEEDRO CCN(C(=O)C(=O)N(C)C[C@H](C)C#N)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000460053999 560731833 /nfs/dbraw/zinc/73/18/33/560731833.db2.gz MXAUTOMCQABTHN-LMMKCTJWSA-N 1 0 370.497 2.288 20 30 FEEDRO C=C(C)Cn1c(CC2CC2)nnc1N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC000460387968 560743007 /nfs/dbraw/zinc/74/30/07/560743007.db2.gz NFNHYOXFYLMZIE-MRXNPFEDSA-N 1 0 359.518 2.496 20 30 FEEDRO N#CCN1CCC[C@@H](CNC(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)C1 ZINC000461482732 560773614 /nfs/dbraw/zinc/77/36/14/560773614.db2.gz SBFWOPNIZREIHS-RBUKOAKNSA-N 1 0 372.488 2.389 20 30 FEEDRO CC[NH+](CC)CCOc1ccc(NC(=O)C(=O)N[C@H]2CCC[C@@H]2C#N)cc1 ZINC000461782415 560783175 /nfs/dbraw/zinc/78/31/75/560783175.db2.gz CBUFOGKOSUHTTO-QAPCUYQASA-N 1 0 372.469 2.154 20 30 FEEDRO C[C@@H](C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1)c1cccc(C#N)c1 ZINC000462022812 560793216 /nfs/dbraw/zinc/79/32/16/560793216.db2.gz HIHNARIVGVJNDF-MRXNPFEDSA-N 1 0 354.498 2.337 20 30 FEEDRO CC(C)[N@@H+]1CCCN(C(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1 ZINC000462095643 560796782 /nfs/dbraw/zinc/79/67/82/560796782.db2.gz WLZDYNHZINFSSF-UHFFFAOYSA-N 1 0 353.430 2.087 20 30 FEEDRO N#CCc1ccc(CN2C(=O)N[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2=O)cc1 ZINC000466355732 560884931 /nfs/dbraw/zinc/88/49/31/560884931.db2.gz JYOYCLVFQIENSL-JOCHJYFZSA-N 1 0 374.444 2.449 20 30 FEEDRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C ZINC000468472062 560930887 /nfs/dbraw/zinc/93/08/87/560930887.db2.gz ZQAABUUNAGMECK-LIRRHRJNSA-N 1 0 351.491 2.485 20 30 FEEDRO COCC[N@@H+]1CC[C@@H](Nc2ccc3c(c2)CCC(=O)N3CCCC#N)C1 ZINC000469132239 560947963 /nfs/dbraw/zinc/94/79/63/560947963.db2.gz WCIQAAKVXGCQPJ-GOSISDBHSA-N 1 0 356.470 2.402 20 30 FEEDRO CC(C)[C@H]([NH2+]CCCC(C)(C)C#N)C(=O)N(C)Cc1nnc2n1CCC2 ZINC000470995929 560996174 /nfs/dbraw/zinc/99/61/74/560996174.db2.gz QQPFZICYKYNURU-KRWDZBQOSA-N 1 0 360.506 2.127 20 30 FEEDRO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCN(C)C[C@@H]2C(C)C)c(OC)c1 ZINC000471211256 561000587 /nfs/dbraw/zinc/00/05/87/561000587.db2.gz ILBPLRQUQQWPMM-RTBURBONSA-N 1 0 362.514 2.435 20 30 FEEDRO C=C(C)CN(Cc1ccccc1)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000471906547 561014110 /nfs/dbraw/zinc/01/41/10/561014110.db2.gz QNDPVDIODMCTBO-IBGZPJMESA-N 1 0 372.513 2.362 20 30 FEEDRO COC1CC[NH+](C(C)(C)CNC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)CC1 ZINC000472090152 561017829 /nfs/dbraw/zinc/01/78/29/561017829.db2.gz ZDTYVZYMBDOBEA-GOSISDBHSA-N 1 0 368.481 2.246 20 30 FEEDRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)c2cnn(C)c2C#N)CC1 ZINC000474571503 561077213 /nfs/dbraw/zinc/07/72/13/561077213.db2.gz AMVLUTVMPYTGFG-UHFFFAOYSA-N 1 0 372.860 2.339 20 30 FEEDRO C=C(C)COCCNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000474798586 561083140 /nfs/dbraw/zinc/08/31/40/561083140.db2.gz YQJDUZSDVBACCL-UHFFFAOYSA-N 1 0 356.470 2.368 20 30 FEEDRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C[C@@H](CC#N)c2ccccc2)CC1 ZINC000475666207 561101837 /nfs/dbraw/zinc/10/18/37/561101837.db2.gz HIHFIQDYXZOBST-LJQANCHMSA-N 1 0 370.497 2.087 20 30 FEEDRO N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@@]2(CO)Cc2ccccc2)cc1 ZINC000475679218 561102154 /nfs/dbraw/zinc/10/21/54/561102154.db2.gz LEVLMZFUAWOFPR-UNMCSNQZSA-N 1 0 366.461 2.368 20 30 FEEDRO C[C@@]1(CCC(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)CCC(=O)N1 ZINC000476559492 561122444 /nfs/dbraw/zinc/12/24/44/561122444.db2.gz DEKUQBCCODDWPQ-FQEVSTJZSA-N 1 0 368.481 2.110 20 30 FEEDRO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCSC[C@H]1CC(=O)OC ZINC000476572430 561122969 /nfs/dbraw/zinc/12/29/69/561122969.db2.gz QFCCBZZFPCLOQQ-SJORKVTESA-N 1 0 365.495 2.135 20 30 FEEDRO C[C@@H]1CCC[C@](CNC(=O)C(=O)N(C)Cc2cccc(C#N)c2)([NH+](C)C)C1 ZINC000477223129 561139804 /nfs/dbraw/zinc/13/98/04/561139804.db2.gz VQDSDRFHDNHCOJ-IERDGZPVSA-N 1 0 370.497 2.143 20 30 FEEDRO N#Cc1ccccc1OC[C@H](O)CN1CC[NH+](CCc2ccccc2)CC1 ZINC000528338179 562323554 /nfs/dbraw/zinc/32/35/54/562323554.db2.gz GRDFFGBKGIEJBS-OAQYLSRUSA-N 1 0 365.477 2.158 20 30 FEEDRO CC(=O)Nc1cccc2c1CC[N@H+](C[C@@H](O)COc1ccccc1C#N)C2 ZINC000528355821 562324542 /nfs/dbraw/zinc/32/45/42/562324542.db2.gz WJLMDIXUNRWDEZ-GOSISDBHSA-N 1 0 365.433 2.315 20 30 FEEDRO O=C1c2ccccc2C(=O)N1CC#CCN1CCOC[C@H]1c1ccccc1 ZINC000528395332 562326711 /nfs/dbraw/zinc/32/67/11/562326711.db2.gz NBRRWZUWNFXLBI-FQEVSTJZSA-N 1 0 360.413 2.360 20 30 FEEDRO CC[N@@H+]1CC[C@@H](N(C)CC#CCN2C(=O)c3ccccc3C2=O)C[C@H]1C ZINC000528399345 562326805 /nfs/dbraw/zinc/32/68/05/562326805.db2.gz VVWVPUYUAXVJRG-IAGOWNOFSA-N 1 0 353.466 2.091 20 30 FEEDRO CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH2+][C@H](c2ccccn2)C2CCC2)CC1 ZINC000528654299 562340540 /nfs/dbraw/zinc/34/05/40/562340540.db2.gz BOLOQUMZBSVNAB-CTNGQTDRSA-N 1 0 369.513 2.205 20 30 FEEDRO COc1ccc(C#N)cc1NC(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000528676652 562341210 /nfs/dbraw/zinc/34/12/10/562341210.db2.gz VHUNONMXJCYKMK-MRXNPFEDSA-N 1 0 358.442 2.189 20 30 FEEDRO COc1ccc([C@@H](C[NH+]2CCCC2)NC(=O)Cc2ccc(C#N)nc2)cc1 ZINC000528943050 562353838 /nfs/dbraw/zinc/35/38/38/562353838.db2.gz LKDUOYMAEQVKRQ-HXUWFJFHSA-N 1 0 364.449 2.458 20 30 FEEDRO Cc1cncn1CC(=O)N1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC000529224196 562365533 /nfs/dbraw/zinc/36/55/33/562365533.db2.gz XJJHDHOQBQTZTN-QGZVFWFLSA-N 1 0 357.845 2.254 20 30 FEEDRO Cc1cncn1CC(=O)N1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000529224194 562365586 /nfs/dbraw/zinc/36/55/86/562365586.db2.gz XJJHDHOQBQTZTN-KRWDZBQOSA-N 1 0 357.845 2.254 20 30 FEEDRO CC(C)[C@@H]1C[NH2+]CCN1C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000529325805 562369610 /nfs/dbraw/zinc/36/96/10/562369610.db2.gz ZRTISTKZXTUENP-ABHNRTSZSA-N 1 0 371.485 2.283 20 30 FEEDRO C=CCn1cc(CNC(=O)[C@H]2CCCN2Cc2ccc(Cl)cc2)nn1 ZINC000529501386 562375536 /nfs/dbraw/zinc/37/55/36/562375536.db2.gz FTSWHBYVCVUKON-QGZVFWFLSA-N 1 0 359.861 2.398 20 30 FEEDRO CC(C)n1ncc2c1C[C@@H]([NH2+]C[C@H](O)COc1ccccc1C#N)CC2 ZINC000530232755 562403250 /nfs/dbraw/zinc/40/32/50/562403250.db2.gz AXBVBHXHEGUMQB-ROUUACIJSA-N 1 0 354.454 2.222 20 30 FEEDRO COc1ccccc1N1CC[C@@H]([NH2+]C[C@H](O)COc2ccccc2C#N)C1 ZINC000530232838 562403276 /nfs/dbraw/zinc/40/32/76/562403276.db2.gz TTWKAZZFGKKYMX-MSOLQXFVSA-N 1 0 367.449 2.175 20 30 FEEDRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)Cc2cccc(C#N)c2)CC1 ZINC000530915091 562428533 /nfs/dbraw/zinc/42/85/33/562428533.db2.gz NOJMGZAEZXRYHF-QZTJIDSGSA-N 1 0 354.498 2.118 20 30 FEEDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CCN(c2ccc(C#N)cc2F)CC1 ZINC000532067625 562465794 /nfs/dbraw/zinc/46/57/94/562465794.db2.gz QMKBURSUUXXMNR-KSSFIOAISA-N 1 0 371.460 2.012 20 30 FEEDRO C=C[C@@H](CC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1)c1ccccc1 ZINC000535389144 562557531 /nfs/dbraw/zinc/55/75/31/562557531.db2.gz KMKFERCWFJLHTR-KRWDZBQOSA-N 1 0 357.498 2.405 20 30 FEEDRO CC[NH+](CC)CCN(CC(C)C)C(=O)CNC(=O)c1ccc(C#N)cc1 ZINC000535505822 562560116 /nfs/dbraw/zinc/56/01/16/562560116.db2.gz XNLSETPAMNPWGK-UHFFFAOYSA-N 1 0 358.486 2.114 20 30 FEEDRO N#Cc1cccc(-c2csc(NC(=O)[C@@H]3C[N@@H+]4CCN3CCC4)n2)c1 ZINC000535728905 562565725 /nfs/dbraw/zinc/56/57/25/562565725.db2.gz CTJHIFFMJYYUNJ-INIZCTEOSA-N 1 0 353.451 2.010 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2nc(SC)n3ccccc23)c1C#N ZINC000536306876 562574132 /nfs/dbraw/zinc/57/41/32/562574132.db2.gz PXCIFFBLXUTYKO-UHFFFAOYSA-N 1 0 369.454 2.055 20 30 FEEDRO C[NH+](C)CCOc1cc(CNC(=O)C2(c3cccc(C#N)c3)CC2)ccn1 ZINC000536483583 562576797 /nfs/dbraw/zinc/57/67/97/562576797.db2.gz UYGHJAMYQXIIRB-UHFFFAOYSA-N 1 0 364.449 2.242 20 30 FEEDRO C=CCOc1cccnc1C(=O)Nc1ccc(OC[C@@H](O)C[NH+](C)C)cc1 ZINC000537170751 562586877 /nfs/dbraw/zinc/58/68/77/562586877.db2.gz SUTBXWWSNAIMOF-INIZCTEOSA-N 1 0 371.437 2.200 20 30 FEEDRO C=CCNC(=O)CNC(=O)NCC1(CC)CC[NH+](Cc2ccccc2)CC1 ZINC000540755325 562592564 /nfs/dbraw/zinc/59/25/64/562592564.db2.gz PVFVSBAGAHEAHS-UHFFFAOYSA-N 1 0 372.513 2.280 20 30 FEEDRO C=CCNC(=O)CNC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000540866773 562594929 /nfs/dbraw/zinc/59/49/29/562594929.db2.gz SDADRTODHMQJBK-MRXNPFEDSA-N 1 0 364.877 2.078 20 30 FEEDRO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)c2ccc(Cl)c(C#N)c2)CC1 ZINC000540884791 562595765 /nfs/dbraw/zinc/59/57/65/562595765.db2.gz XXPURYCKAOSHPR-KRWDZBQOSA-N 1 0 360.889 2.454 20 30 FEEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+]C3CCN(C(=O)C4CC4)CC3)C2=O)cc1 ZINC000540906084 562596292 /nfs/dbraw/zinc/59/62/92/562596292.db2.gz VJHVSQBYYZMZTN-LJQANCHMSA-N 1 0 366.465 2.044 20 30 FEEDRO C[C@@H]([NH2+]CC(=O)NCc1cccc(C#N)c1)c1ccc([S@@](C)=O)cc1 ZINC000541122199 562603736 /nfs/dbraw/zinc/60/37/36/562603736.db2.gz CQCIHHNTQSNKLT-DLUDVSRJSA-N 1 0 355.463 2.263 20 30 FEEDRO N#CCC1(CNC(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@]23CCOC3)CC1 ZINC000602149909 567937359 /nfs/dbraw/zinc/93/73/59/567937359.db2.gz XWFYSQZVIBHKOL-NQIIRXRSSA-N 1 0 353.466 2.335 20 30 FEEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccc(C(=O)N2CCOCC2)cc1 ZINC000602509504 567989142 /nfs/dbraw/zinc/98/91/42/567989142.db2.gz YYRJBQROQWIYCY-KRWDZBQOSA-N 1 0 371.481 2.348 20 30 FEEDRO C[C@@H]1C[N@@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@H](C)N1CC#N ZINC000602864384 568007870 /nfs/dbraw/zinc/00/78/70/568007870.db2.gz QKKRCWGSQBXRFQ-OKILXGFUSA-N 1 0 359.861 2.458 20 30 FEEDRO N#CCCN(C(=O)C[NH2+][C@H]([C@H]1CCCO1)C1(CO)CCC1)c1ccccc1 ZINC000602894582 568013839 /nfs/dbraw/zinc/01/38/39/568013839.db2.gz XXQGLQXGEQSDLE-UYAOXDASSA-N 1 0 371.481 2.233 20 30 FEEDRO C=CCC[C@@H](O)C[NH+]1CCC(n2nnc(C(=O)OCC)c2C(F)F)CC1 ZINC000602969013 568026297 /nfs/dbraw/zinc/02/62/97/568026297.db2.gz XBBWDCLGDPNWAX-CYBMUJFWSA-N 1 0 372.416 2.356 20 30 FEEDRO C[C@H]1CN(C(=O)Nc2cccc(OCC[NH+](C)C)c2)C[C@H](C)N1CC#N ZINC000602794893 568034899 /nfs/dbraw/zinc/03/48/99/568034899.db2.gz DZUPJVOLYPTYCY-HOTGVXAUSA-N 1 0 359.474 2.077 20 30 FEEDRO C[C@@H](c1cccc(NC(=O)N2CCN(CCC#N)CC2)c1)N1CCOCC1 ZINC000602831818 568047937 /nfs/dbraw/zinc/04/79/37/568047937.db2.gz IIIWJQNUBVCNJU-KRWDZBQOSA-N 1 0 371.485 2.143 20 30 FEEDRO C[C@@H]1CN(C(=O)C2CC[NH+](Cc3ccccc3)CC2)C[C@@H](C)N1CC#N ZINC000603097849 568060220 /nfs/dbraw/zinc/06/02/20/568060220.db2.gz GSFYNGFYRBNEIL-QZTJIDSGSA-N 1 0 354.498 2.343 20 30 FEEDRO C[NH2+][C@H](C)c1cn(CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)nn1 ZINC000603191381 568072073 /nfs/dbraw/zinc/07/20/73/568072073.db2.gz RFNYHQNSVXXXAU-CYBMUJFWSA-N 1 0 360.849 2.467 20 30 FEEDRO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)n1cc([C@@H]2CCC[NH2+]C2)nn1 ZINC000603193909 568072453 /nfs/dbraw/zinc/07/24/53/568072453.db2.gz STGQVPAXKVXUQB-BWRBCVJASA-N 1 0 358.490 2.237 20 30 FEEDRO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N(C)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000603554263 568116424 /nfs/dbraw/zinc/11/64/24/568116424.db2.gz VURYPQFCVDUMFF-QVKFZJNVSA-N 1 0 370.497 2.454 20 30 FEEDRO C[NH+]1CCC(C#N)(NC(=O)CCCc2nc(-c3cccs3)no2)CC1 ZINC000603641629 568129522 /nfs/dbraw/zinc/12/95/22/568129522.db2.gz DXSZHFKMQHASPZ-UHFFFAOYSA-N 1 0 359.455 2.225 20 30 FEEDRO CN(C)C(=O)C1([NH2+]CCC(=O)Nc2sc3c(c2C#N)CCCC3)CC1 ZINC000568967791 568258579 /nfs/dbraw/zinc/25/85/79/568258579.db2.gz ANSFLYUVIGNOJN-UHFFFAOYSA-N 1 0 360.483 2.038 20 30 FEEDRO N#Cc1csc(C[NH2+]CCc2ccc(OCC(=O)NC3CC3)cc2)n1 ZINC000570731890 568504398 /nfs/dbraw/zinc/50/43/98/568504398.db2.gz YVTCUSMIPUYGQD-UHFFFAOYSA-N 1 0 356.451 2.004 20 30 FEEDRO C=C(C)CN(CC)C(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000637185246 568534730 /nfs/dbraw/zinc/53/47/30/568534730.db2.gz GTNCMXRALMOLOK-IEBWSBKVSA-N 1 0 357.498 2.295 20 30 FEEDRO CC[NH+](CC)Cc1ccc(C(=O)Nc2ccc(C#N)c(-c3nn[nH]n3)c2)o1 ZINC000736531529 599196989 /nfs/dbraw/zinc/19/69/89/599196989.db2.gz YJSBOGLBUQBROO-UHFFFAOYSA-N 1 0 365.397 2.425 20 30 FEEDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1S(=O)(=O)Cc1cc(C#N)ccc1F ZINC000556818673 674422238 /nfs/dbraw/zinc/42/22/38/674422238.db2.gz JFXZUYRKIMWCOE-CZUORRHYSA-N 1 0 351.447 2.086 20 30 FEEDRO FC(F)(F)c1cc(N=NC2C[NH+]3CCC2CC3)ccc1-c1nn[nH]n1 ZINC000737632069 598314871 /nfs/dbraw/zinc/31/48/71/598314871.db2.gz JJGYNGAIUZTSET-UHFFFAOYSA-N 1 0 351.336 2.379 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)s1)C(C)C ZINC000819739678 606559155 /nfs/dbraw/zinc/55/91/55/606559155.db2.gz CQQILDTUNAWQOR-ZDUSSCGKSA-N 1 0 360.487 2.357 20 30 FEEDRO CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)OCC(=O)Nc2sccc2C#N)C1 ZINC000811449747 674604841 /nfs/dbraw/zinc/60/48/41/674604841.db2.gz UVNXPBYYBWKCGP-INIZCTEOSA-N 1 0 353.419 2.314 20 30 FEEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000561004141 674629496 /nfs/dbraw/zinc/62/94/96/674629496.db2.gz ZQKAHOCCEHZIJN-ZIAGYGMSSA-N 1 0 360.483 2.074 20 30 FEEDRO CC[NH+]1CCN(c2ccc(CNc3nccc(C#N)c3Cl)cn2)CC1 ZINC000561130792 674640132 /nfs/dbraw/zinc/64/01/32/674640132.db2.gz NEYOFIXIGVGWTA-UHFFFAOYSA-N 1 0 356.861 2.756 20 30 FEEDRO N#C[C@H](c1cccc(Cl)c1)N1CC[NH+](C[C@@H]2CCNC(=O)CC2)CC1 ZINC000562542256 674767221 /nfs/dbraw/zinc/76/72/21/674767221.db2.gz HFGOHNMIQKWDBN-MAUKXSAKSA-N 1 0 360.889 2.439 20 30 FEEDRO Cc1ccc(OCCC[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)cc1 ZINC000562988410 674831639 /nfs/dbraw/zinc/83/16/39/674831639.db2.gz ZGTIHFYNIGRTDY-UHFFFAOYSA-N 1 0 359.451 2.094 20 30 FEEDRO CN(CCC#N)C[C@H](O)C[NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000562991652 674832040 /nfs/dbraw/zinc/83/20/40/674832040.db2.gz RZNPNQSTMIKIPO-XYPHTWIQSA-N 1 0 355.841 2.105 20 30 FEEDRO C[N@H+](CC(=O)N(CCC#N)c1ccc2c(c1)OCCO2)[C@H]1CCSC1 ZINC000563323802 674872420 /nfs/dbraw/zinc/87/24/20/674872420.db2.gz QFNFUQULUYSEQI-HNNXBMFYSA-N 1 0 361.467 2.142 20 30 FEEDRO C[C@H]1CCC[N@@H+]1CCNC(=O)C(=O)Nc1scc(C(C)(C)C)c1C#N ZINC000815530184 674957556 /nfs/dbraw/zinc/95/75/56/674957556.db2.gz BATDMCVPIMCNOD-LBPRGKRZSA-N 1 0 362.499 2.456 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(SC(F)F)cc1 ZINC000815860447 674978879 /nfs/dbraw/zinc/97/88/79/674978879.db2.gz LRSOQFDGXCRRFA-UHFFFAOYSA-N 1 0 355.410 2.011 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](CC3CC(F)(F)C3)C[C@@H]2C1 ZINC001049111761 675023384 /nfs/dbraw/zinc/02/33/84/675023384.db2.gz ZAUCSGZOVMRKQW-YVSFHVDLSA-N 1 0 354.441 2.403 20 30 FEEDRO C[NH+](C)CCOc1cnccc1CNC(=O)c1ccc(Cl)c(C#N)c1 ZINC000564537379 675032931 /nfs/dbraw/zinc/03/29/31/675032931.db2.gz RISQXZRYAYMGMV-UHFFFAOYSA-N 1 0 358.829 2.477 20 30 FEEDRO CN(CCC#N)C[C@H](O)C[NH2+][C@@H]1CCc2c1ccc(F)c2Br ZINC000564859648 675069384 /nfs/dbraw/zinc/06/93/84/675069384.db2.gz WVVILDVYQXEQEH-IAQYHMDHSA-N 1 0 370.266 2.371 20 30 FEEDRO C#CCOc1ccc(Br)cc1C[NH2+]CCNC(=O)C(C)C ZINC000041635209 670148113 /nfs/dbraw/zinc/14/81/13/670148113.db2.gz OGQWAKSJJWTNIB-UHFFFAOYSA-N 1 0 353.260 2.323 20 30 FEEDRO C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C[C@@H](C)n2ccnc2)cc1 ZINC000565055827 675090771 /nfs/dbraw/zinc/09/07/71/675090771.db2.gz ZQGMWNGMDIVZGV-CQSZACIVSA-N 1 0 362.455 2.279 20 30 FEEDRO C[NH+]=C(NCc1cnc(C)s1)N1CCN(c2ccccc2OC)CC1 ZINC000072678226 670497054 /nfs/dbraw/zinc/49/70/54/670497054.db2.gz QAEDYIYSIYFPRI-UHFFFAOYSA-N 1 0 359.499 2.358 20 30 FEEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1S[C@@H]1CCCCNC1=O ZINC000078384308 670586123 /nfs/dbraw/zinc/58/61/23/670586123.db2.gz LJFFMXBHDRVGGG-OAHLLOKOSA-N 1 0 363.531 2.253 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2CC[NH3+])cc1C(F)(F)F ZINC000570513880 670725737 /nfs/dbraw/zinc/72/57/37/670725737.db2.gz DDZUNQSGEKVBTH-GFCCVEGCSA-N 1 0 361.389 2.469 20 30 FEEDRO CC[C@H](C)NC(=[NH2+])NCCc1ccc(S(=O)(=O)N(CC)CC)s1 ZINC000103712320 670787247 /nfs/dbraw/zinc/78/72/47/670787247.db2.gz PLOCHGNIPPIBFD-LBPRGKRZSA-N 1 0 360.549 2.024 20 30 FEEDRO COc1ccc(C)cc1CC[NH2+]CCS(=O)(=O)c1cccc(C#N)c1 ZINC000571396787 670868105 /nfs/dbraw/zinc/86/81/05/670868105.db2.gz MJIICNGIVKLSPU-UHFFFAOYSA-N 1 0 358.463 2.481 20 30 FEEDRO O=C(NCC[NH2+]Cc1csc(Br)c1)C1N=CC=CC1=O ZINC000113360885 670884222 /nfs/dbraw/zinc/88/42/22/670884222.db2.gz CCPSLCOZXBIWHC-SEYXRHQNSA-N 1 0 356.245 2.127 20 30 FEEDRO N#C[C@@H](c1cccs1)N1CCN(C(=O)C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)CC1 ZINC000566054768 675176282 /nfs/dbraw/zinc/17/62/82/675176282.db2.gz WSXLIQMWSQDPKA-QZWWFDLISA-N 1 0 358.511 2.235 20 30 FEEDRO C[C@H](C[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)c1ccc(F)cc1F ZINC000574750043 671274302 /nfs/dbraw/zinc/27/43/02/671274302.db2.gz ISEHABIJGLCRNY-GFCCVEGCSA-N 1 0 365.405 2.398 20 30 FEEDRO CN(CCC#N)C[C@H](O)C[NH2+]CCCc1ccc(Br)cc1F ZINC000575040170 671294306 /nfs/dbraw/zinc/29/43/06/671294306.db2.gz MNQMQOHSXSKPND-OAHLLOKOSA-N 1 0 372.282 2.317 20 30 FEEDRO CCCN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000577608978 671607874 /nfs/dbraw/zinc/60/78/74/671607874.db2.gz QNJXTYXHQGAUCJ-GFCCVEGCSA-N 1 0 372.288 2.083 20 30 FEEDRO C[N@@H+]1CCC[C@@H](CNC(=O)COc2ccc(C#N)c(Br)c2)C1 ZINC000577822784 671622029 /nfs/dbraw/zinc/62/20/29/671622029.db2.gz RFARMVUVDGRXKB-LBPRGKRZSA-N 1 0 366.259 2.158 20 30 FEEDRO C[C@H]1CC[N@H+](CCNC(=O)COc2cccc(Br)c2C#N)C1 ZINC000579435312 671734928 /nfs/dbraw/zinc/73/49/28/671734928.db2.gz VWQALULTQMDHQV-LBPRGKRZSA-N 1 0 366.259 2.158 20 30 FEEDRO Cc1csc(CCCC[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)n1 ZINC000579582266 671746236 /nfs/dbraw/zinc/74/62/36/671746236.db2.gz SQPNGYHUMVLUOP-UHFFFAOYSA-N 1 0 364.496 2.104 20 30 FEEDRO CN(CCC#N)C[C@@H](O)C[NH2+]C[C@@H](c1cccc(Cl)c1)N1CCCC1 ZINC000580408011 671804332 /nfs/dbraw/zinc/80/43/32/671804332.db2.gz GTAJWTUQVOAULJ-OALUTQOASA-N 1 0 364.921 2.273 20 30 FEEDRO C[C@H]([NH2+]C[C@H](O)CN(C)CCC#N)c1nc2ccccc2n1C(F)F ZINC000581006792 671854827 /nfs/dbraw/zinc/85/48/27/671854827.db2.gz QFFJZRHEJXIESQ-STQMWFEESA-N 1 0 351.401 2.288 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1cccc(N2CCCS2(=O)=O)c1 ZINC000581067386 671860483 /nfs/dbraw/zinc/86/04/83/671860483.db2.gz IJMKUMWLFUJSJH-ZVZYQTTQSA-N 1 0 350.484 2.468 20 30 FEEDRO C=CCOc1c(Br)cc(C[NH2+]C[C@H](O)COC)cc1OC ZINC000117946662 671883247 /nfs/dbraw/zinc/88/32/47/671883247.db2.gz HXIYKROKLBITEA-LBPRGKRZSA-N 1 0 360.248 2.119 20 30 FEEDRO CC[NH+](CC)CC#C[C@H](C)OC(=O)[C@H]1CSCN1C(=O)C(C)(C)C ZINC000121393083 671948514 /nfs/dbraw/zinc/94/85/14/671948514.db2.gz WUSFGAXIDJPFAO-LSDHHAIUSA-N 1 0 354.516 2.211 20 30 FEEDRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(S(=O)(=O)c2cccc(C#N)c2)C1 ZINC000610267898 675963533 /nfs/dbraw/zinc/96/35/33/675963533.db2.gz PFYBDARIHFMQGK-GOSISDBHSA-N 1 0 355.463 2.453 20 30 FEEDRO C#CCOc1ccc(Br)cc1C[NH2+]C[C@H]1CCCS1(=O)=O ZINC000126724615 672027983 /nfs/dbraw/zinc/02/79/83/672027983.db2.gz YOJQUFGCAJOYGT-CQSZACIVSA-N 1 0 372.284 2.128 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@H](CO)CC2CCCCC2)cc1 ZINC000582725973 672028956 /nfs/dbraw/zinc/02/89/56/672028956.db2.gz IKHOQZZKXSOREV-KRWDZBQOSA-N 1 0 350.484 2.253 20 30 FEEDRO CCC[C@@]1(C)CCCN(C(NCC2CCN(S(C)(=O)=O)CC2)=[NH+]C)C1 ZINC000127550953 672038434 /nfs/dbraw/zinc/03/84/34/672038434.db2.gz GTVPRGPZNDIWPH-SFHVURJKSA-N 1 0 372.579 2.136 20 30 FEEDRO C[NH+]=C(NCc1nc(C)c(C)s1)N1CCN([C@H](C)C(F)(F)F)CC1 ZINC000133329824 672109295 /nfs/dbraw/zinc/10/92/95/672109295.db2.gz BOHUZBYICNQTTE-GFCCVEGCSA-N 1 0 363.453 2.404 20 30 FEEDRO CC(C)(C)OC(=O)N1CCN2C(NCCSC(C)(C)C)=[NH+]C[C@H]2C1 ZINC000133884816 672116666 /nfs/dbraw/zinc/11/66/66/672116666.db2.gz OYXNHVNKEQSDPE-ZDUSSCGKSA-N 1 0 356.536 2.399 20 30 FEEDRO CS(=O)(=O)N[C@H]1CCC[C@H]1CNC(=[NH2+])Nc1cccc2c1CCCC2 ZINC000134118247 672119963 /nfs/dbraw/zinc/11/99/63/672119963.db2.gz ODUBRNMVEPEATA-HOCLYGCPSA-N 1 0 364.515 2.010 20 30 FEEDRO N#CC1(NC(=O)C[NH2+][C@@H](c2cncc(Br)c2)C2CC2)CCC1 ZINC000584246632 672169755 /nfs/dbraw/zinc/16/97/55/672169755.db2.gz ABEJENBWPCKPAF-OAHLLOKOSA-N 1 0 363.259 2.447 20 30 FEEDRO C[NH+]=C(NCc1nccs1)N[C@@H]1CCN(c2ncccc2Cl)C1 ZINC000158949412 672275101 /nfs/dbraw/zinc/27/51/01/672275101.db2.gz RGRMBZMDRMAUFJ-LLVKDONJSA-N 1 0 350.879 2.135 20 30 FEEDRO C#CCNC(=O)[C@@H](C)[N@H+](CC)CCOc1ccc(Br)cc1 ZINC000159638962 672284042 /nfs/dbraw/zinc/28/40/42/672284042.db2.gz LXNCNPPPNHBAHQ-CYBMUJFWSA-N 1 0 353.260 2.288 20 30 FEEDRO CC[NH+]=C(NCC1CCOCC1)N[C@@H]1CCN(c2ncccc2Cl)C1 ZINC000179211386 672399886 /nfs/dbraw/zinc/39/98/86/672399886.db2.gz FSUASYNWORCMSN-OAHLLOKOSA-N 1 0 365.909 2.295 20 30 FEEDRO C=CCSCCNC(=O)C(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000586812882 672436235 /nfs/dbraw/zinc/43/62/35/672436235.db2.gz USNBCCNOCBUURO-UHFFFAOYSA-N 1 0 367.559 2.136 20 30 FEEDRO N#Cc1cc(Br)ccc1CN1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000588200423 672456932 /nfs/dbraw/zinc/45/69/32/672456932.db2.gz RTKQRNGGKFZNIP-SJORKVTESA-N 1 0 364.287 2.352 20 30 FEEDRO C[C@H](OC[C@@H](O)C[NH+]1CCN(CCC#N)CC1)c1ccc(Cl)cc1 ZINC000611174983 676022812 /nfs/dbraw/zinc/02/28/12/676022812.db2.gz QGPKNCQEEHKYLZ-YJBOKZPZSA-N 1 0 351.878 2.310 20 30 FEEDRO N#CCCN1CC[NH+](CCC(=O)Nc2ccccc2Br)CC1 ZINC000591020588 672642197 /nfs/dbraw/zinc/64/21/97/672642197.db2.gz PVYQSBQSLLJJBY-UHFFFAOYSA-N 1 0 365.275 2.309 20 30 FEEDRO CN(CCC#N)C[C@H](O)C[NH2+][C@@H]1CCc2cc(Br)ccc21 ZINC000591240884 672661286 /nfs/dbraw/zinc/66/12/86/672661286.db2.gz YOYYHPDWYBKCSK-GDBMZVCRSA-N 1 0 352.276 2.232 20 30 FEEDRO CCO[C@@H]1C[C@@H]([NH2+][C@H]2CCN(c3sccc3C#N)C2=O)[C@@H]1SC ZINC000592172747 672767458 /nfs/dbraw/zinc/76/74/58/672767458.db2.gz KABFWOZGYJKFJY-DGAVXFQQSA-N 1 0 351.497 2.224 20 30 FEEDRO CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](CCCOc2cccc(C#N)c2)C1 ZINC000592186174 672768964 /nfs/dbraw/zinc/76/89/64/672768964.db2.gz TYBRFSZWISASFT-MRXNPFEDSA-N 1 0 355.360 2.328 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)Nc2cc(S(C)(=O)=O)ccc2C)CC1 ZINC000592524203 672810779 /nfs/dbraw/zinc/81/07/79/672810779.db2.gz YPHOMHJURIHTHT-UHFFFAOYSA-N 1 0 351.472 2.170 20 30 FEEDRO CC[NH+]=C(NC[C@@H]1CCCCO1)N[C@@H]1CCN(c2ncccc2Cl)C1 ZINC000261664654 672900998 /nfs/dbraw/zinc/90/09/98/672900998.db2.gz BFMQFISOMQLPNS-CABCVRRESA-N 1 0 365.909 2.438 20 30 FEEDRO CC[NH+]=C(NC[C@]1(C)CCOC1)N[C@@H]1CCN(c2ncccc2Cl)C1 ZINC000261722796 672902274 /nfs/dbraw/zinc/90/22/74/672902274.db2.gz IOWYEKIOCMJZBZ-KDOFPFPSSA-N 1 0 365.909 2.295 20 30 FEEDRO CC[NH+]=C(NC[C@H](c1ccsc1)N(C)C)N1CC[C@]2(CCOC2)C1 ZINC000261982548 672906992 /nfs/dbraw/zinc/90/69/92/672906992.db2.gz PEYFOHNKWBXIPW-AEFFLSMTSA-N 1 0 350.532 2.429 20 30 FEEDRO [NH2+]=C(NCc1cccc(C(F)(F)F)c1)NC[C@@H]1CCCCS1(=O)=O ZINC000262175243 672910197 /nfs/dbraw/zinc/91/01/97/672910197.db2.gz CZJQPRVYLSBIAP-ZDUSSCGKSA-N 1 0 363.405 2.077 20 30 FEEDRO CC[C@H](C)[NH+]=C(NCC(=O)N(C)C)N[C@@H]1CCOC2(CCCCC2)C1 ZINC000262319564 672913188 /nfs/dbraw/zinc/91/31/88/672913188.db2.gz RPDLMZBZEIJXLO-JKSUJKDBSA-N 1 0 352.523 2.290 20 30 FEEDRO C[NH+]=C(NCC1(SC)CCOCC1)N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000262363680 672914177 /nfs/dbraw/zinc/91/41/77/672914177.db2.gz HIOBJRPIJNUYJN-RRFJBIMHSA-N 1 0 355.548 2.267 20 30 FEEDRO CC1(C)CN(C(NC[C@@H]2CCS(=O)(=O)C2)=[NH+]C2CCCC2)CCS1 ZINC000262396976 672914744 /nfs/dbraw/zinc/91/47/44/672914744.db2.gz NCLHCZMNQNMXHO-AWEZNQCLSA-N 1 0 373.588 2.137 20 30 FEEDRO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1CNC(=[NH2+])Nc1ccc2c(c1)CCC2 ZINC000262655471 672918611 /nfs/dbraw/zinc/91/86/11/672918611.db2.gz LOYAUFJQBGYIJY-NVXWUHKLSA-N 1 0 364.515 2.010 20 30 FEEDRO CCc1ccc(NC(=[NH2+])NC[C@@H]2CCCC[C@H]2NS(C)(=O)=O)cc1 ZINC000262662356 672918658 /nfs/dbraw/zinc/91/86/58/672918658.db2.gz NFSCBGFUNAQQSV-GOEBONIOSA-N 1 0 352.504 2.084 20 30 FEEDRO CC[N@H+](CCCNS(=O)(=O)c1cccnc1C#N)C1CCCCC1 ZINC000593627528 672962193 /nfs/dbraw/zinc/96/21/93/672962193.db2.gz VBHAEPWUUYOFJX-UHFFFAOYSA-N 1 0 350.488 2.276 20 30 FEEDRO [NH2+]=C(NCCCN1CCOCC1)NCCSc1ccc(Cl)cc1 ZINC000303787048 673017443 /nfs/dbraw/zinc/01/74/43/673017443.db2.gz SALXVJYHADADQY-UHFFFAOYSA-N 1 0 356.923 2.059 20 30 FEEDRO [NH2+]=C(NCCc1cccs1)NC[C@H](c1ccccc1)N1CCOCC1 ZINC000303881358 673017889 /nfs/dbraw/zinc/01/78/89/673017889.db2.gz HQNCJUCIPZHAEL-GOSISDBHSA-N 1 0 358.511 2.268 20 30 FEEDRO CC(C)(C)OC(=O)N1CCN(C(=[NH2+])NCCc2cccc(F)c2)CC1 ZINC000303793126 673018029 /nfs/dbraw/zinc/01/80/29/673018029.db2.gz ZDMVIPGGHSXHPM-UHFFFAOYSA-N 1 0 350.438 2.236 20 30 FEEDRO C[C@@H]1CCCN(C(=[NH2+])NCCNC(=O)c2ccc(Br)cc2)C1 ZINC000303884010 673018281 /nfs/dbraw/zinc/01/82/81/673018281.db2.gz MNESFJWXRDWGRF-GFCCVEGCSA-N 1 0 367.291 2.226 20 30 FEEDRO CC(C)CCNC(=[NH2+])NCc1ccccc1S(=O)(=O)NC(C)(C)C ZINC000303901622 673019086 /nfs/dbraw/zinc/01/90/86/673019086.db2.gz XNHRUZKGEKXJFJ-UHFFFAOYSA-N 1 0 354.520 2.214 20 30 FEEDRO N#CCCCC[C@H]([NH3+])C(=O)N1CCC(n2cc(Br)cn2)CC1 ZINC000594433581 673071286 /nfs/dbraw/zinc/07/12/86/673071286.db2.gz HMJSSUVNYPMXAX-AWEZNQCLSA-N 1 0 368.279 2.220 20 30 FEEDRO C[C@@H]1COCCN1CCNC(=O)[C@H]1CCCCN1C(=O)c1cccs1 ZINC000329080288 673071725 /nfs/dbraw/zinc/07/17/25/673071725.db2.gz CMOFPUPBKZCLPW-HUUCEWRRSA-N 1 0 365.499 2.420 20 30 FEEDRO CC(C)(C)OC(=O)NCCNC(=O)[C@H]1CCC[N@H+](CCCCC#N)C1 ZINC000726602039 673131487 /nfs/dbraw/zinc/13/14/87/673131487.db2.gz VRVXZDJPPWPAQI-HNNXBMFYSA-N 1 0 352.479 2.033 20 30 FEEDRO C[C@@H]1CCN(S(=O)(=O)c2cccc(Br)c2C#N)[C@H](C[NH3+])C1 ZINC000595119025 673196973 /nfs/dbraw/zinc/19/69/73/673196973.db2.gz YNYLMEXSVNOODI-MNOVXSKESA-N 1 0 372.288 2.069 20 30 FEEDRO N#CCCC[C@@H]([NH3+])C(=O)N1CCOC[C@@H]1c1cccc(Br)c1 ZINC000595256912 673214514 /nfs/dbraw/zinc/21/45/14/673214514.db2.gz FFZQOBBNHICSQA-HUUCEWRRSA-N 1 0 366.259 2.370 20 30 FEEDRO N#CCc1ccc(CS(=O)(=O)NC[C@H]2CCC[N@H+](CC3CC3)C2)cc1 ZINC000595410483 673245796 /nfs/dbraw/zinc/24/57/96/673245796.db2.gz MMYVYHSALWFABU-LJQANCHMSA-N 1 0 361.511 2.294 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@H]2CSCN2C(=O)OC(C)(C)C)CC1 ZINC000729977656 673255675 /nfs/dbraw/zinc/25/56/75/673255675.db2.gz YESUAEWNQHODTD-OAHLLOKOSA-N 1 0 369.531 2.453 20 30 FEEDRO COC[C@@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1C#N)C1CCOCC1 ZINC000595617044 673273839 /nfs/dbraw/zinc/27/38/39/673273839.db2.gz UUPSSJHNGSUHIL-MRXNPFEDSA-N 1 0 351.834 2.181 20 30 FEEDRO C#CCOc1ccc(Br)cc1C[NH2+][C@H]1CCN(CCOC)C1 ZINC000730817533 673292649 /nfs/dbraw/zinc/29/26/49/673292649.db2.gz QGUMCODZZUHXPL-INIZCTEOSA-N 1 0 367.287 2.271 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)NC[C@H](O)c2cccc(C(F)(F)F)c2)CC1 ZINC000730839331 673293140 /nfs/dbraw/zinc/29/31/40/673293140.db2.gz LEPXQDLFYXCBRV-INIZCTEOSA-N 1 0 354.372 2.200 20 30 FEEDRO N#C[C@H](c1cccc(Cl)c1)N1CCN(CC[N@@H+]2CCCOCC2)CC1 ZINC000463211479 673300787 /nfs/dbraw/zinc/30/07/87/673300787.db2.gz FSNLYZMETXUYHP-LJQANCHMSA-N 1 0 362.905 2.245 20 30 FEEDRO CCOc1cc(C=NNC(=S)NCCC[NH+](C)C)cc(Cl)c1OC ZINC000731931189 673348588 /nfs/dbraw/zinc/34/85/88/673348588.db2.gz ZDDZZZSOEJVQFD-UHFFFAOYSA-N 1 0 372.922 2.497 20 30 FEEDRO CCNC(=S)C(=C(O)C1=CCC(=NC(N)=O)C=C1)[n+]1ccc(C)cc1 ZINC000732177137 673356093 /nfs/dbraw/zinc/35/60/93/673356093.db2.gz DLDBKCBOSWIYGJ-UHFFFAOYSA-O 1 0 357.459 2.406 20 30 FEEDRO C=CCCSCCNC(=O)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000596721624 673407194 /nfs/dbraw/zinc/40/71/94/673407194.db2.gz LVDVVUQYTGYQLS-IBGZPJMESA-N 1 0 363.527 2.232 20 30 FEEDRO C#CCOc1ccc(C[NH2+]Cc2ccc(CS(=O)(=O)NC)cc2)cc1 ZINC000733325375 673409945 /nfs/dbraw/zinc/40/99/45/673409945.db2.gz KWNBMSJDDKMWKK-UHFFFAOYSA-N 1 0 358.463 2.038 20 30 FEEDRO C[NH+](C)CC[C@@H](NC(=O)C(=O)NCC1(C#N)CCCCC1)C(C)(C)C ZINC000597275682 673462122 /nfs/dbraw/zinc/46/21/22/673462122.db2.gz JTQUNCWILWLFAJ-OAHLLOKOSA-N 1 0 350.507 2.059 20 30 FEEDRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)c3ccccc3SCC#N)CC2)C1 ZINC000734454316 673464067 /nfs/dbraw/zinc/46/40/67/673464067.db2.gz WIRPOWHEHRALNK-INIZCTEOSA-N 1 0 358.511 2.154 20 30 FEEDRO CCCN(CC[NH+](CC)CC)C(=O)C(=O)NCC1(C#N)CCCCC1 ZINC000597398444 673475259 /nfs/dbraw/zinc/47/52/59/673475259.db2.gz VYIOQYCAEDLZEO-UHFFFAOYSA-N 1 0 350.507 2.157 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)O[C@H](C)C(=O)Nc2ccc(F)cc2F)CC1 ZINC000735939899 673508463 /nfs/dbraw/zinc/50/84/63/673508463.db2.gz LBFDXVCVBRGETH-GFCCVEGCSA-N 1 0 350.365 2.180 20 30 FEEDRO CS[C@@H]1CN([C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C[C@@H]1[NH+](C)C ZINC000540589134 673548483 /nfs/dbraw/zinc/54/84/83/673548483.db2.gz OETCJKZQXPFYKU-XFHVWQCUSA-N 1 0 366.575 2.283 20 30 FEEDRO CC(C)[C@@H]1CN(C(=O)COc2cccc(Br)c2C#N)CC[NH2+]1 ZINC000598571258 673584906 /nfs/dbraw/zinc/58/49/06/673584906.db2.gz IPTKVGCKJVAYRB-AWEZNQCLSA-N 1 0 366.259 2.156 20 30 FEEDRO Cc1cc(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)ccc1C#N ZINC000599103877 673633460 /nfs/dbraw/zinc/63/34/60/673633460.db2.gz UHYSSWARHNHEEM-TZMCWYRMSA-N 1 0 361.389 2.015 20 30 FEEDRO C[N@@H+]1CCCC[C@@H](CNC(=O)N2CCN(c3ccsc3C#N)CC2)C1 ZINC000599157545 673637206 /nfs/dbraw/zinc/63/72/06/673637206.db2.gz XXFYUTGINXILIK-HNNXBMFYSA-N 1 0 361.515 2.183 20 30 FEEDRO C[NH+]1CCC(C#N)(NC(=O)[C@@H]2[C@@H]3Cc4c(cccc4Br)[C@@H]32)CC1 ZINC000599381431 673667058 /nfs/dbraw/zinc/66/70/58/673667058.db2.gz YEUFITQIUVWDLT-VNQPRFMTSA-N 1 0 374.282 2.439 20 30 FEEDRO CC(C)[C@@H](C#N)N1CC[NH+](C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000741785899 673697713 /nfs/dbraw/zinc/69/77/13/673697713.db2.gz TUEBHBGJQQJGOD-DLBZAZTESA-N 1 0 350.507 2.409 20 30 FEEDRO N#Cc1c(F)cccc1S(=O)(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000742291704 673719450 /nfs/dbraw/zinc/71/94/50/673719450.db2.gz IMKGOAHENNKVPU-AWEZNQCLSA-N 1 0 351.447 2.336 20 30 FEEDRO C[NH+](C)CCCNC(=S)NN=Cc1ccc(Oc2cnccn2)cc1 ZINC000743442100 673759899 /nfs/dbraw/zinc/75/98/99/673759899.db2.gz RNDZMIRVXZESIX-UHFFFAOYSA-N 1 0 358.471 2.019 20 30 FEEDRO C[C@H]1CCC[N@@H+]1CCNC(=O)C(=O)Nc1ccccc1SCCC#N ZINC000743980354 673777647 /nfs/dbraw/zinc/77/76/47/673777647.db2.gz LMLBMGDPFYZITK-AWEZNQCLSA-N 1 0 360.483 2.231 20 30 FEEDRO N#Cc1ccccc1OC[C@H](O)C[NH2+]CCN1CCc2sccc2C1 ZINC000600718228 673794264 /nfs/dbraw/zinc/79/42/64/673794264.db2.gz FUAYQGWYFNXRDU-QGZVFWFLSA-N 1 0 357.479 2.007 20 30 FEEDRO N#Cc1cnc(N2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)c2sccc21 ZINC000601133081 673827925 /nfs/dbraw/zinc/82/79/25/673827925.db2.gz TVBVFYQFUQRALK-OAHLLOKOSA-N 1 0 355.467 2.086 20 30 FEEDRO N#CCc1ccc(CS(=O)(=O)N2C[C@@H](C[NH3+])Cc3ccccc32)cc1 ZINC000601351778 673846510 /nfs/dbraw/zinc/84/65/10/673846510.db2.gz OPLYZYVUZLADPO-QGZVFWFLSA-N 1 0 355.463 2.220 20 30 FEEDRO Cc1cc(F)cc(C#N)c1S(=O)(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC000601387200 673853227 /nfs/dbraw/zinc/85/32/27/673853227.db2.gz PVKYVSQQFPLTTE-CYBMUJFWSA-N 1 0 353.463 2.357 20 30 FEEDRO N#Cc1ccc(OC[C@H](O)C[NH2+]C[C@@H](CO)c2ccc(Cl)cc2)cc1 ZINC000601970498 673900409 /nfs/dbraw/zinc/90/04/09/673900409.db2.gz KFDHHDZVAJPITI-FUHWJXTLSA-N 1 0 360.841 2.317 20 30 FEEDRO C[NH+](C)C[C@@]1(O)CCCN(Cc2ccc(C#N)cc2Br)C1 ZINC000602876659 673912447 /nfs/dbraw/zinc/91/24/47/673912447.db2.gz IFTDVPQCYIIYIQ-INIZCTEOSA-N 1 0 352.276 2.209 20 30 FEEDRO COC[C@](C)(CO)[NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000602931137 673913930 /nfs/dbraw/zinc/91/39/30/673913930.db2.gz HQEXQPMAJZLBJN-SFHVURJKSA-N 1 0 365.499 2.204 20 30 FEEDRO CN1CCC([N@@H+]2CC[C@H](Nc3cc(C#N)c(Br)cn3)C2)CC1 ZINC000603294466 673922893 /nfs/dbraw/zinc/92/28/93/673922893.db2.gz VBYFTXPVPWJHFH-ZDUSSCGKSA-N 1 0 364.291 2.296 20 30 FEEDRO COc1c[nH+]ccc1N1CCN(c2cc(C#N)c(Br)cn2)CC1 ZINC000603368046 673926917 /nfs/dbraw/zinc/92/69/17/673926917.db2.gz DPVLHKHEVLWZRV-UHFFFAOYSA-N 1 0 374.242 2.446 20 30 FEEDRO CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C ZINC000819031993 675254046 /nfs/dbraw/zinc/25/40/46/675254046.db2.gz BDKFFFCCJBEHOD-LSDHHAIUSA-N 1 0 352.479 2.174 20 30 FEEDRO C[C@@H]1CC[N@H+](CCNC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)C1 ZINC000819342187 675283299 /nfs/dbraw/zinc/28/32/99/675283299.db2.gz PCDNUTDCGTYPNG-HUUCEWRRSA-N 1 0 352.479 2.032 20 30 FEEDRO CC[N@@H+]1CCN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)C[C@H]1C ZINC000819429624 675289828 /nfs/dbraw/zinc/28/98/28/675289828.db2.gz XGLWBVKOESOBSQ-HUUCEWRRSA-N 1 0 352.479 2.126 20 30 FEEDRO C=CCn1c(C2CC2)nn(CN2CC[NH+](C(C)(C)COC)CC2)c1=S ZINC000819893117 675320720 /nfs/dbraw/zinc/32/07/20/675320720.db2.gz FCBGXXGNDNQGJD-UHFFFAOYSA-N 1 0 365.547 2.478 20 30 FEEDRO C[C@@H](Cc1cc(Br)ccc1F)[NH2+]C[C@@H](O)CN(C)CCC#N ZINC000567891912 675333420 /nfs/dbraw/zinc/33/34/20/675333420.db2.gz YOFITASIMFMRLW-SWLSCSKDSA-N 1 0 372.282 2.315 20 30 FEEDRO C#CCCC[NH2+]Cc1cc(Br)ccc1O[C@@H](C)C(=O)NC ZINC000823949111 675577645 /nfs/dbraw/zinc/57/76/45/675577645.db2.gz BFCUJWRUARIDTG-LBPRGKRZSA-N 1 0 353.260 2.465 20 30 FEEDRO C#CCCC[NH2+]Cc1cc(Br)ccc1O[C@H](C)C(=O)NC ZINC000823949110 675577735 /nfs/dbraw/zinc/57/77/35/675577735.db2.gz BFCUJWRUARIDTG-GFCCVEGCSA-N 1 0 353.260 2.465 20 30 FEEDRO CC(C)[C@H](C[NH+](C)C)NC(=O)COc1ccc(C#N)c(Br)c1 ZINC000825891885 675673210 /nfs/dbraw/zinc/67/32/10/675673210.db2.gz WGQXZVHVWUOTSS-HNNXBMFYSA-N 1 0 368.275 2.402 20 30 FEEDRO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H](OCC(F)(F)F)C2)cc1 ZINC000603840834 675801282 /nfs/dbraw/zinc/80/12/82/675801282.db2.gz ZEBCWJBVTPSMQD-ZBFHGGJFSA-N 1 0 358.360 2.341 20 30 FEEDRO N#Cc1c(NC(=O)CCN2C[C@@H]3C[NH2+]C[C@H]3C2)sc2c1CCCCC2 ZINC000603867338 675801588 /nfs/dbraw/zinc/80/15/88/675801588.db2.gz MYBUEYCRNWPIHC-KBPBESRZSA-N 1 0 358.511 2.368 20 30 FEEDRO CC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000604016919 675802910 /nfs/dbraw/zinc/80/29/10/675802910.db2.gz IWUZOWXTCGKORC-LBPRGKRZSA-N 1 0 361.389 2.340 20 30 FEEDRO C=C(C)[C@@H](CO)[NH+]1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000677479913 679682239 /nfs/dbraw/zinc/68/22/39/679682239.db2.gz QYVMVLVKEUJYIG-CQSZACIVSA-N 1 0 368.275 2.432 20 30 FEEDRO C=C(C)[C@H](CO)[NH+]1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000677479912 679682248 /nfs/dbraw/zinc/68/22/48/679682248.db2.gz QYVMVLVKEUJYIG-AWEZNQCLSA-N 1 0 368.275 2.432 20 30 FEEDRO C=C(C)[C@@H](CO)[N@@H+]1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000677479029 679682351 /nfs/dbraw/zinc/68/23/51/679682351.db2.gz IDZMNRZHMZVZHL-GXTWGEPZSA-N 1 0 368.275 2.432 20 30 FEEDRO C=CCOc1c(Br)cc(C[NH2+][C@@H]2COCC[C@H]2O)cc1OC ZINC000631258353 676939599 /nfs/dbraw/zinc/93/95/99/676939599.db2.gz SDKWAYKYAQKDQG-ZIAGYGMSSA-N 1 0 372.259 2.262 20 30 FEEDRO C=CCNC(=O)C[NH2+][C@H]1CCN(C)[C@H](c2ccc(Br)cc2)C1 ZINC000638847332 677151064 /nfs/dbraw/zinc/15/10/64/677151064.db2.gz PKLBNSUSYHIYOG-HOTGVXAUSA-N 1 0 366.303 2.476 20 30 FEEDRO C=CCC[C@H](O)Cn1cc([C@@H]([NH3+])c2ccc(Br)cc2)nn1 ZINC000641212639 677197021 /nfs/dbraw/zinc/19/70/21/677197021.db2.gz NJCVCSXHRNZNPW-ZFWWWQNUSA-N 1 0 351.248 2.416 20 30 FEEDRO C#C[C@H](NC(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1)[C@H]1CCCO1 ZINC000838558129 680701324 /nfs/dbraw/zinc/70/13/24/680701324.db2.gz DKEOVEWFUCDTSR-LSDHHAIUSA-N 1 0 361.408 2.225 20 30 FEEDRO C=CC[C@H]1CCCN(C(=O)C(=O)N(CC[NH+](C)C)Cc2cccs2)C1 ZINC000658606255 678106271 /nfs/dbraw/zinc/10/62/71/678106271.db2.gz OAIMDRHGSRYUFC-INIZCTEOSA-N 1 0 363.527 2.453 20 30 FEEDRO C#CCNC(=O)C1CC[NH+](Cc2cccc(C(=O)C(F)(F)F)c2)CC1 ZINC000839477400 680755194 /nfs/dbraw/zinc/75/51/94/680755194.db2.gz ZVEIMNGXPVNCRL-UHFFFAOYSA-N 1 0 352.356 2.393 20 30 FEEDRO C=CCN(C(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(F)c1)C(C)C ZINC000839523982 680759182 /nfs/dbraw/zinc/75/91/82/680759182.db2.gz ZFEKPJAFBJPLDG-UHFFFAOYSA-N 1 0 351.422 2.128 20 30 FEEDRO C[NH+](C)CCCNC(=S)NN=Cc1ccc(Br)c(F)c1 ZINC000763176439 680775053 /nfs/dbraw/zinc/77/50/53/680775053.db2.gz PPAUXKXZQXSBFT-UHFFFAOYSA-N 1 0 361.284 2.338 20 30 FEEDRO C=CC[C@@H]1CCC[N@@H+](CC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)C1 ZINC000661380583 678472406 /nfs/dbraw/zinc/47/24/06/678472406.db2.gz OJMXEWMKYWLYJC-OAHLLOKOSA-N 1 0 365.499 2.164 20 30 FEEDRO C=C(C[NH+](C)C)C(=O)NCCC(=O)Nc1ccc(Br)cc1 ZINC000764424517 680808583 /nfs/dbraw/zinc/80/85/83/680808583.db2.gz QICJEABZNATFTJ-UHFFFAOYSA-N 1 0 354.248 2.012 20 30 FEEDRO C=C(C[NH+](C)C)C(=O)NCc1cc(OC)c(OC)cc1Br ZINC000764470940 680810717 /nfs/dbraw/zinc/81/07/17/680810717.db2.gz JYKGNIMZMQPZJA-UHFFFAOYSA-N 1 0 357.248 2.200 20 30 FEEDRO O=C(C#Cc1ccc(C(F)(F)F)cc1)N[C@@H](CO)C[NH+]1CCCCC1 ZINC000840453229 680824150 /nfs/dbraw/zinc/82/41/50/680824150.db2.gz IXNUMOKVYBJWRX-MRXNPFEDSA-N 1 0 354.372 2.020 20 30 FEEDRO CC[NH2+]CCCNC(=O)C(=O)Nc1cccc(C#Cc2cccs2)c1 ZINC000667252049 679083161 /nfs/dbraw/zinc/08/31/61/679083161.db2.gz SJUONYWDSGUTSQ-UHFFFAOYSA-N 1 0 355.463 2.202 20 30 FEEDRO N#Cc1ccc(NC(=S)NC[C@H]2CCC[N@H+]2CCCO)cc1Cl ZINC000840780477 680842413 /nfs/dbraw/zinc/84/24/13/680842413.db2.gz TXQLZNUVOVVEPG-CQSZACIVSA-N 1 0 352.891 2.345 20 30 FEEDRO Cc1ccc(Cc2cnc(NC(=O)N[C@H]3C[NH2+]C[C@H]3C#N)s2)cc1F ZINC000841020483 680860345 /nfs/dbraw/zinc/86/03/45/680860345.db2.gz RXKVUJDACMFQNW-DOMZBBRYSA-N 1 0 359.430 2.415 20 30 FEEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)Nc1cc(Cl)ccc1N1CCSCC1 ZINC000841092954 680862855 /nfs/dbraw/zinc/86/28/55/680862855.db2.gz NNRTXNZKORILJE-SMDDNHRTSA-N 1 0 365.890 2.126 20 30 FEEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)Nc1cc(Cl)ccc1N1CCSCC1 ZINC000841092950 680862864 /nfs/dbraw/zinc/86/28/64/680862864.db2.gz NNRTXNZKORILJE-BXUZGUMPSA-N 1 0 365.890 2.126 20 30 FEEDRO C#CCNC(=O)C1CC[NH+](C[C@H](O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000747816434 679904767 /nfs/dbraw/zinc/90/47/67/679904767.db2.gz DRYOBOULLLPSMH-INIZCTEOSA-N 1 0 354.372 2.200 20 30 FEEDRO C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H](CNC(=O)OC(C)(C)C)C[C@H]1C ZINC000752084837 680222910 /nfs/dbraw/zinc/22/29/10/680222910.db2.gz XUVBLHOHWRBEBY-HZPDHXFCSA-N 1 0 351.491 2.422 20 30 FEEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)CCc1cc(Cl)ccc1Br ZINC000834479915 680232977 /nfs/dbraw/zinc/23/29/77/680232977.db2.gz JKQQGGFIHHYQLG-GXFFZTMASA-N 1 0 356.651 2.263 20 30 FEEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)c1ccn(-c2ccc(Cl)cc2Cl)n1 ZINC000834483946 680233485 /nfs/dbraw/zinc/23/34/85/680233485.db2.gz BNEIJSDNBGJFKK-ZANVPECISA-N 1 0 350.209 2.020 20 30 FEEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)COc1ccc2cc(Br)ccc2c1 ZINC000834490397 680234259 /nfs/dbraw/zinc/23/42/59/680234259.db2.gz UYHCLTODJNAFIP-CJNGLKHVSA-N 1 0 374.238 2.209 20 30 FEEDRO Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000834499605 680235250 /nfs/dbraw/zinc/23/52/50/680235250.db2.gz KJWWLVFQASMXJO-GDBMZVCRSA-N 1 0 357.845 2.043 20 30 FEEDRO C[NH+](C)CCCNC(=S)NN=Cc1cc(F)cc(Br)c1 ZINC000834957418 680284784 /nfs/dbraw/zinc/28/47/84/680284784.db2.gz JVXQEJXSVNUKLW-UHFFFAOYSA-N 1 0 361.284 2.338 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCC(OC(C)=O)CC1)C(C)C ZINC000753566087 680304173 /nfs/dbraw/zinc/30/41/73/680304173.db2.gz SSFXFTDAMJCUNU-SFHVURJKSA-N 1 0 351.491 2.422 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC[C@H]3CCCC3(F)F)C[C@H]21 ZINC001026056802 680340648 /nfs/dbraw/zinc/34/06/48/680340648.db2.gz CJHVMTSEEZOPFD-FFRIZKCHSA-N 1 0 354.441 2.449 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2csnc2OC)C1 ZINC001027117394 680355519 /nfs/dbraw/zinc/35/55/19/680355519.db2.gz XJQZYGPQPASOSJ-BPUTZDHNSA-N 1 0 365.499 2.071 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CCC1CCOCC1 ZINC001027890750 680362667 /nfs/dbraw/zinc/36/26/67/680362667.db2.gz HUSQUELZQWLEPR-OTWHNJEPSA-N 1 0 350.503 2.365 20 30 FEEDRO C=C(C)CC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)CC1 ZINC000997690352 680363150 /nfs/dbraw/zinc/36/31/50/680363150.db2.gz YNWKRLBTMHBBLY-DSLXNQLJSA-N 1 0 350.503 2.221 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1CCCC1CCOCC1 ZINC001028146981 680370486 /nfs/dbraw/zinc/37/04/86/680370486.db2.gz NWQSTBADJMDYKX-QRVBRYPASA-N 1 0 350.503 2.365 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC(C[NH2+]C[C@@H]2CCCCO2)CC1 ZINC000998148036 680377815 /nfs/dbraw/zinc/37/78/15/680377815.db2.gz JLLVZIILCUKVKC-FHWLQOOXSA-N 1 0 350.503 2.365 20 30 FEEDRO N#Cc1ccc(C[N@H+]2CC[C@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH]cn3)C2)s1 ZINC001028606137 680379308 /nfs/dbraw/zinc/37/93/08/680379308.db2.gz MIFXKAIOGPXKGY-DAXOMENPSA-N 1 0 355.467 2.085 20 30 FEEDRO C=C(C)CC[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C1 ZINC001033875365 680427134 /nfs/dbraw/zinc/42/71/34/680427134.db2.gz RLXNDSZRXARVBF-ZNMIVQPWSA-N 1 0 364.408 2.222 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCCC[N@H+](CC2CCOCC2)C1 ZINC001034215734 680430693 /nfs/dbraw/zinc/43/06/93/680430693.db2.gz BLLDGSXTHRBSAJ-QRVBRYPASA-N 1 0 350.503 2.365 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]CCn2cc(Cl)cn2)C1 ZINC001000435604 680431875 /nfs/dbraw/zinc/43/18/75/680431875.db2.gz PVKMZJNEPAECFH-IKGGRYGDSA-N 1 0 366.893 2.098 20 30 FEEDRO C#CC[N@@H+](C)CCCNC(=O)NCc1ccc(OC)c(Br)c1 ZINC000836270244 680442887 /nfs/dbraw/zinc/44/28/87/680442887.db2.gz PKAKUROEIPLLRF-UHFFFAOYSA-N 1 0 368.275 2.212 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1snnc1C ZINC001035072334 680442948 /nfs/dbraw/zinc/44/29/48/680442948.db2.gz VJSRPUHKVFVMFA-VYDXJSESSA-N 1 0 364.515 2.298 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC2(C[NH+](C[C@H](CC)OC)C2)CC1 ZINC001035815891 680452986 /nfs/dbraw/zinc/45/29/86/680452986.db2.gz DWKXXIIPYHAAAX-BZSNNMDCSA-N 1 0 350.503 2.317 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)NCC1=CC[N@H+](CCc2scnc2C)CC1 ZINC001001172412 680453345 /nfs/dbraw/zinc/45/33/45/680453345.db2.gz VPLAVKABGJUPEZ-SJORKVTESA-N 1 0 361.511 2.333 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)NCC1CC[NH+](CC2CCOCC2)CC1 ZINC001001412489 680460772 /nfs/dbraw/zinc/46/07/72/680460772.db2.gz BGXRLMUZQWCSFV-MOPGFXCFSA-N 1 0 350.503 2.222 20 30 FEEDRO C=C(C)CC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3OCCO[C@H]3C)CC2)C1 ZINC001039205765 680462562 /nfs/dbraw/zinc/46/25/62/680462562.db2.gz ZLTNFKHNCINZFV-UHOSZYNNSA-N 1 0 350.503 2.317 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)NOCc1ccc(F)cc1Br ZINC000836415458 680466426 /nfs/dbraw/zinc/46/64/26/680466426.db2.gz JAZUOHRJYOEEPQ-UHFFFAOYSA-N 1 0 372.238 2.274 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)NCc1cc(F)c(F)cc1Br ZINC000836455274 680472056 /nfs/dbraw/zinc/47/20/56/680472056.db2.gz GDOFOALSSVKGHV-UHFFFAOYSA-N 1 0 374.229 2.482 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)N1CCc2cc(Br)ccc2C1 ZINC000836490046 680476508 /nfs/dbraw/zinc/47/65/08/680476508.db2.gz DKKNHZAAGVZOIX-UHFFFAOYSA-N 1 0 364.287 2.472 20 30 FEEDRO CC[C@H](C(=O)N1CC[C@H]2CN(c3nc(C#N)c(Cl)s3)C[C@H]21)[NH+](C)C ZINC001040670474 680482570 /nfs/dbraw/zinc/48/25/70/680482570.db2.gz FWXQEIXCBDTEMC-CYZMBNFOSA-N 1 0 367.906 2.045 20 30 FEEDRO C[C@@H]1CN(c2snc(Cl)c2C#N)C[C@H]1NC(=O)C[N@@H+]1CCC[C@H]1C ZINC001042511114 680533198 /nfs/dbraw/zinc/53/31/98/680533198.db2.gz UCUHYINOFUXUPE-NQBHXWOUSA-N 1 0 367.906 2.093 20 30 FEEDRO C[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1Nc1ncc(C#N)cc1Cl ZINC001043250566 680569637 /nfs/dbraw/zinc/56/96/37/680569637.db2.gz FAAQXTLIQGEWPP-XJKCOSOUSA-N 1 0 361.877 2.207 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)NC1(C)CC[NH+](C[C@@H]2CC(C)(C)CO2)CC1 ZINC001045563793 680634714 /nfs/dbraw/zinc/63/47/14/680634714.db2.gz LJTDHOIASVZECP-BBWFWOEESA-N 1 0 350.503 2.363 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@]1(C)CC[N@H+](CCCC2CCOCC2)C1 ZINC001046632432 680651770 /nfs/dbraw/zinc/65/17/70/680651770.db2.gz YBIWVRIXFWFIJU-HBFSDRIKSA-N 1 0 350.503 2.365 20 30 FEEDRO C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H](Nc3ncc(C#N)cc3Cl)C2)CC[N@@H+]1C ZINC001046633212 680652118 /nfs/dbraw/zinc/65/21/18/680652118.db2.gz QYCYZIQKRVWYQH-RJZRQDKASA-N 1 0 361.877 2.254 20 30 FEEDRO C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H](Nc3nc(Cl)c(C#N)s3)C2)CC[N@@H+]1C ZINC001046633380 680652229 /nfs/dbraw/zinc/65/22/29/680652229.db2.gz VMHVWMGYVNZPNC-WISYIIOYSA-N 1 0 367.906 2.315 20 30 FEEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)Nc1ccn(-c2ccc(Cl)cc2Cl)n1 ZINC000841170784 680867161 /nfs/dbraw/zinc/86/71/61/680867161.db2.gz ISMXQASEKPXNBT-JOYOIKCWSA-N 1 0 365.224 2.412 20 30 FEEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)N[C@H](c1ccc(F)c(Cl)c1)C(F)(F)F ZINC000841218161 680869530 /nfs/dbraw/zinc/86/95/30/680869530.db2.gz POVBORUYNWKWPB-JFUSQASVSA-N 1 0 364.730 2.493 20 30 FEEDRO C#CCOc1ccc(Br)cc1C[NH2+][C@@H](CO)[C@@H](O)CCC ZINC000842224726 680933653 /nfs/dbraw/zinc/93/36/53/680933653.db2.gz FCLFNDWXZGUGES-GJZGRUSLSA-N 1 0 356.260 2.073 20 30 FEEDRO C#CC[C@@H]1NC(=O)N(C[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)C1=O ZINC000842245630 680934556 /nfs/dbraw/zinc/93/45/56/680934556.db2.gz TYKNUKBYTKEALI-VBNZEHGJSA-N 1 0 363.820 2.416 20 30 FEEDRO CC1(C)C[NH2+]CC[C@H]1NS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000842483397 680950232 /nfs/dbraw/zinc/95/02/32/680950232.db2.gz JTFZTMZFOFEXNE-CYBMUJFWSA-N 1 0 361.389 2.243 20 30 FEEDRO CC1(C)C[NH2+]CC[C@@H]1NS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000842483399 680950237 /nfs/dbraw/zinc/95/02/37/680950237.db2.gz JTFZTMZFOFEXNE-ZDUSSCGKSA-N 1 0 361.389 2.243 20 30 FEEDRO N#Cc1cc(S(=O)(=O)N2CC[C@@]3(CCC[NH2+]3)C2)ccc1C(F)(F)F ZINC000842484435 680950306 /nfs/dbraw/zinc/95/03/06/680950306.db2.gz IZFHKOKDICZRDR-AWEZNQCLSA-N 1 0 359.373 2.094 20 30 FEEDRO C#CC[N@H+]1CCC[C@H]1COC(=O)C[C@@H](C)n1cc(Br)cn1 ZINC000842711073 680961204 /nfs/dbraw/zinc/96/12/04/680961204.db2.gz WBYOUXVLMQUSLQ-OCCSQVGLSA-N 1 0 354.248 2.238 20 30 FEEDRO C#CC[N@H+]1CCC[C@@H]1COC(=O)C[C@H](C)n1cc(Br)cn1 ZINC000842711071 680961301 /nfs/dbraw/zinc/96/13/01/680961301.db2.gz WBYOUXVLMQUSLQ-GXTWGEPZSA-N 1 0 354.248 2.238 20 30 FEEDRO CCCCCCCCn1nc(C)c(S(=O)(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)c1C ZINC000842878006 680973016 /nfs/dbraw/zinc/97/30/16/680973016.db2.gz FSWHKSAUJGOYOL-FVQHAEBGSA-N 1 0 368.547 2.357 20 30 FEEDRO C[C@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)[C@@H](O)c1ccc(F)cc1 ZINC000843073454 680986115 /nfs/dbraw/zinc/98/61/15/680986115.db2.gz IESWTGCBUKVBBF-SCLBCKFNSA-N 1 0 362.426 2.183 20 30 FEEDRO C=CCNc1ncc(C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)s1 ZINC000771021117 681037069 /nfs/dbraw/zinc/03/70/69/681037069.db2.gz PFUQXLHAVZSPQN-AWEZNQCLSA-N 1 0 350.488 2.114 20 30 FEEDRO N#Cc1ccc(C[NH2+]C[C@H]2CC[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)s1 ZINC001050325680 681045078 /nfs/dbraw/zinc/04/50/78/681045078.db2.gz KPWBPNYVAVIMJR-CZPYZCIJSA-N 1 0 362.455 2.050 20 30 FEEDRO C[C@H]1CCC[N@H+](CC(=O)NCCC#N)[C@H]1CCNC(=O)OC(C)(C)C ZINC000844399033 681056450 /nfs/dbraw/zinc/05/64/50/681056450.db2.gz ZYTWNBKCHCNHJE-GJZGRUSLSA-N 1 0 352.479 2.032 20 30 FEEDRO N#Cc1cccc(C[NH+]2CCC(NC(=S)NC[C@H]3CCCO3)CC2)c1 ZINC000844596244 681067900 /nfs/dbraw/zinc/06/79/00/681067900.db2.gz IQSCUHFJJLECBE-GOSISDBHSA-N 1 0 358.511 2.166 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)O[C@H]2CCN(c3cccc(Cl)c3)C2=O)CC1 ZINC000772113602 681086469 /nfs/dbraw/zinc/08/64/69/681086469.db2.gz OUHBCGPBMXXQAV-KRWDZBQOSA-N 1 0 360.841 2.334 20 30 FEEDRO Cn1cc(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)c(Cl)n1 ZINC000845001013 681097611 /nfs/dbraw/zinc/09/76/11/681097611.db2.gz BSHQIXVCTKEIJH-UHFFFAOYSA-N 1 0 357.845 2.340 20 30 FEEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)[C@@H]3CSCCS3)CC2)c1 ZINC000845006990 681098091 /nfs/dbraw/zinc/09/80/91/681098091.db2.gz PLTMCFUHBWJPMD-KRWDZBQOSA-N 1 0 361.536 2.487 20 30 FEEDRO C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1CNc1nc(C#N)c(Cl)s1 ZINC001053653742 681102589 /nfs/dbraw/zinc/10/25/89/681102589.db2.gz WUBXXALVGQHHKJ-WZRBSPASSA-N 1 0 367.906 2.269 20 30 FEEDRO C#C[C@@H](NC(=O)NCC1CC[NH+](Cc2cccs2)CC1)[C@H]1CCCO1 ZINC000773258109 681133427 /nfs/dbraw/zinc/13/34/27/681133427.db2.gz BYBZKWSVMMSCII-QZTJIDSGSA-N 1 0 361.511 2.440 20 30 FEEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000845929468 681163110 /nfs/dbraw/zinc/16/31/10/681163110.db2.gz UZFCXAJBGCIHTC-HZPDHXFCSA-N 1 0 351.491 2.400 20 30 FEEDRO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](Nc3nc(C#N)c(Cl)s3)C2)CC[N@@H+]1C ZINC001059444313 681180676 /nfs/dbraw/zinc/18/06/76/681180676.db2.gz SIXRWISKACCJPH-MRBYEJRBSA-N 1 0 367.906 2.458 20 30 FEEDRO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](Nc3snc(Cl)c3C#N)C2)CC[N@@H+]1C ZINC001059444223 681180839 /nfs/dbraw/zinc/18/08/39/681180839.db2.gz MVOWLFACSHPPSX-MRBYEJRBSA-N 1 0 367.906 2.458 20 30 FEEDRO C#CCNC(=S)C(C(=O)c1ccnn1C)[n+]1ccc(C(C)(C)C)cc1 ZINC000846758157 681285643 /nfs/dbraw/zinc/28/56/43/681285643.db2.gz KCUWBEOYZOZRHT-UHFFFAOYSA-O 1 0 355.487 2.439 20 30 FEEDRO C#CCNC(=S)C(C(=O)c1ccnn1C)[n+]1ccc2c(c1)CCCC2 ZINC000846760403 681286313 /nfs/dbraw/zinc/28/63/13/681286313.db2.gz XLSNPNBHZSQIGS-UHFFFAOYSA-O 1 0 353.471 2.020 20 30 FEEDRO C#C[C@H]([NH2+]CCc1nc2sc3c(c2c(N)n1)CCCC3)[C@H]1CCCO1 ZINC000775795954 681335621 /nfs/dbraw/zinc/33/56/21/681335621.db2.gz QMDLIZWEPYKPFU-UONOGXRCSA-N 1 0 356.495 2.465 20 30 FEEDRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)C1 ZINC000847181284 681341435 /nfs/dbraw/zinc/34/14/35/681341435.db2.gz ZCBDKGYMONKIKN-QLFBSQMISA-N 1 0 352.479 2.030 20 30 FEEDRO CCN1CCN(C(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)CC1 ZINC000847280979 681358377 /nfs/dbraw/zinc/35/83/77/681358377.db2.gz OIHNDXXIAUOUTI-OAHLLOKOSA-N 1 0 352.479 2.128 20 30 FEEDRO C[N@@H+]1CCCN(C(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)CC1 ZINC000847284749 681359050 /nfs/dbraw/zinc/35/90/50/681359050.db2.gz PYVDABKTEYKFEA-HNNXBMFYSA-N 1 0 352.479 2.128 20 30 FEEDRO CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000847544822 681393864 /nfs/dbraw/zinc/39/38/64/681393864.db2.gz BKNMWUVWWOQNTP-CQSZACIVSA-N 1 0 352.479 2.174 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)c2cnc(Br)c(C)c2)CC1 ZINC000933352424 681398515 /nfs/dbraw/zinc/39/85/15/681398515.db2.gz BRNZUIXVYUDFKD-UHFFFAOYSA-N 1 0 350.260 2.370 20 30 FEEDRO C#CCOCC[N@H+]1CCN(C(=O)OC(C)(C)C)CCC12CCOCC2 ZINC000933516064 681425128 /nfs/dbraw/zinc/42/51/28/681425128.db2.gz NRPFDXIXRZJELX-UHFFFAOYSA-N 1 0 352.475 2.128 20 30 FEEDRO CC[N@H+](CCC(=O)NC)CC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000933862907 681476072 /nfs/dbraw/zinc/47/60/72/681476072.db2.gz FMLVBFJDRVMFGU-AWEZNQCLSA-N 1 0 362.499 2.477 20 30 FEEDRO N#CC1(C(=O)N2CCC(OCC[NH+]3CCCC3)CC2)CCSCC1 ZINC000933918002 681483158 /nfs/dbraw/zinc/48/31/58/681483158.db2.gz MCVLAJUWTCIJKS-UHFFFAOYSA-N 1 0 351.516 2.127 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)NCCSCc2ccnc(Cl)c2)CC1 ZINC000777451083 681494914 /nfs/dbraw/zinc/49/49/14/681494914.db2.gz AMORNJKDCIZZMK-UHFFFAOYSA-N 1 0 351.903 2.430 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)CC1 ZINC000848581415 681582969 /nfs/dbraw/zinc/58/29/69/681582969.db2.gz MLFVPBUSQZONGM-UHFFFAOYSA-N 1 0 355.341 2.333 20 30 FEEDRO C=CCCC[N@@H+](CC)CC(=O)Nc1cc(S(N)(=O)=O)cc(C)c1C ZINC000934649397 681605894 /nfs/dbraw/zinc/60/58/94/681605894.db2.gz UPMZZVHUJQCNJC-UHFFFAOYSA-N 1 0 353.488 2.177 20 30 FEEDRO CN(C)[S@](C)(=O)=NCC1CC[NH+](Cc2ccc(OCC#N)cc2)CC1 ZINC000934752838 681622075 /nfs/dbraw/zinc/62/20/75/681622075.db2.gz CCULDUQBUODXNT-RUZDIDTESA-N 1 0 364.515 2.375 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCOC2(CC[NH+](CCCC)CC2)C1 ZINC000949209487 681624695 /nfs/dbraw/zinc/62/46/95/681624695.db2.gz DOZVOHMARBMOGI-ROUUACIJSA-N 1 0 350.503 2.461 20 30 FEEDRO C=C(Cl)C(C)(C)C(=O)N1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000949365072 681635026 /nfs/dbraw/zinc/63/50/26/681635026.db2.gz BZKHRMUNGFCQLY-QHSBEEBCSA-N 1 0 355.910 2.068 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC2(CC1)C[N@H+](CCC(C)C)CCO2 ZINC000949476755 681642569 /nfs/dbraw/zinc/64/25/69/681642569.db2.gz HBBTZNVSEAERID-MSOLQXFVSA-N 1 0 350.503 2.317 20 30 FEEDRO C[NH+]=C(NCCN1CCOCC1)NCC(C)(C)c1cccc(Cl)c1F ZINC000849088698 681651522 /nfs/dbraw/zinc/65/15/22/681651522.db2.gz UTRSVLYYROZDFR-UHFFFAOYSA-N 1 0 370.900 2.254 20 30 FEEDRO CC(C)(C)OC(=O)N1CCN2C(NC[C@@H]3CCC(F)(F)C3)=[NH+]C[C@@H]2C1 ZINC000849097087 681652381 /nfs/dbraw/zinc/65/23/81/681652381.db2.gz ANNYVDFONQOGJZ-CHWSQXEVSA-N 1 0 358.433 2.302 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=[NH2+])N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000849106006 681653773 /nfs/dbraw/zinc/65/37/73/681653773.db2.gz OFKMEFYBKFWSFE-CABCVRRESA-N 1 0 352.479 2.045 20 30 FEEDRO C[NH+]=C(NCCN1CCOCC1)N[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000849105818 681653803 /nfs/dbraw/zinc/65/38/03/681653803.db2.gz CYZQQFULXGGSMH-GOEBONIOSA-N 1 0 371.312 2.347 20 30 FEEDRO CCC(C)(C)OCCNC1=[NH+]C[C@H]2CN(C(=O)OC(C)(C)C)CCN12 ZINC000849115985 681658047 /nfs/dbraw/zinc/65/80/47/681658047.db2.gz GNJYRLPYLOZIFM-AWEZNQCLSA-N 1 0 354.495 2.072 20 30 FEEDRO C=C[C@@H](CC)CC(=O)Nc1cccc(S(=O)(=O)NCC[NH+](C)C)c1 ZINC000935405540 681744910 /nfs/dbraw/zinc/74/49/10/681744910.db2.gz CGKITKMYTJMQDO-AWEZNQCLSA-N 1 0 353.488 2.067 20 30 FEEDRO C[C@@H]1CCC[N@@H+]1CCNS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000780865730 681879333 /nfs/dbraw/zinc/87/93/33/681879333.db2.gz CDSHEWFMIZITRF-LLVKDONJSA-N 1 0 361.389 2.340 20 30 FEEDRO Cn1cc(C[NH2+]CC[S@@](=O)CC(F)(F)F)c(-c2ccc(C#N)cc2)n1 ZINC000850348719 681888678 /nfs/dbraw/zinc/88/86/78/681888678.db2.gz SFEJOTAJEYPPGK-RUZDIDTESA-N 1 0 370.400 2.359 20 30 FEEDRO C[C@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1cncc(Br)c1 ZINC000850444843 681902770 /nfs/dbraw/zinc/90/27/70/681902770.db2.gz ZWHGNBRTQGWHAH-PQJBRBTKSA-N 1 0 365.231 2.021 20 30 FEEDRO CC(CCCC[NH+](C)C)N=Nc1ccc(S(=O)(=O)N2CCCC2)cn1 ZINC000781123924 681903381 /nfs/dbraw/zinc/90/33/81/681903381.db2.gz OGFMTWRWDGVPNF-UHFFFAOYSA-N 1 0 367.519 2.386 20 30 FEEDRO C=C(C[NH+](C)C)C(=O)N[C@@]1(c2ccc(Br)cc2)C[C@@H](O)C1 ZINC000914173143 685497215 /nfs/dbraw/zinc/49/72/15/685497215.db2.gz DTQCPNYOAUWSPB-FZNQNYSPSA-N 1 0 353.260 2.033 20 30 FEEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3C[C@@H]4C[C@]4(CO)C3)sc2C1 ZINC000782602257 682063186 /nfs/dbraw/zinc/06/31/86/682063186.db2.gz AGNLFEARLVPGFD-QHRIQVFBSA-N 1 0 359.495 2.387 20 30 FEEDRO C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C(C)(C)C1 ZINC000940838481 682083726 /nfs/dbraw/zinc/08/37/26/682083726.db2.gz HIAKJYVPALEQTD-MCIONIFRSA-N 1 0 364.408 2.126 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)NCc2ccccc2Br)CC1 ZINC000915262822 685513738 /nfs/dbraw/zinc/51/37/38/685513738.db2.gz XPZBZHCQBNTICY-UHFFFAOYSA-N 1 0 350.260 2.346 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3scnc3C)C[C@H]21 ZINC000961996436 682106033 /nfs/dbraw/zinc/10/60/33/682106033.db2.gz UIJMXHLBKJBBDG-DTJSUFBGSA-N 1 0 361.511 2.369 20 30 FEEDRO O=C1Nc2cc(Br)ccc2C1=NNCC[NH+]1CCCCC1 ZINC000915974087 685520016 /nfs/dbraw/zinc/52/00/16/685520016.db2.gz CAQBUTAAJGBXNJ-UHFFFAOYSA-N 1 0 351.248 2.181 20 30 FEEDRO CC[NH+](CC)Cc1cc(C(C)=NNC(=S)N[C@H](C)COC)ccc1O ZINC000916541396 685525304 /nfs/dbraw/zinc/52/53/04/685525304.db2.gz SOTBITFSFCPENL-CYBMUJFWSA-N 1 0 366.531 2.457 20 30 FEEDRO C[NH+](C)CCCNC(=S)NN=C1CCC(O)(c2cccc(F)c2)CC1 ZINC000783841978 682180873 /nfs/dbraw/zinc/18/08/73/682180873.db2.gz IJUCMVOTWFSJRR-UHFFFAOYSA-N 1 0 366.506 2.359 20 30 FEEDRO C#C[C@H]([NH2+]C[C@H](O)COc1cc(F)cc(Br)c1)[C@@H]1CCCO1 ZINC000784353174 682219308 /nfs/dbraw/zinc/21/93/08/682219308.db2.gz XZGDYBJXRUSMHF-BPUTZDHNSA-N 1 0 372.234 2.098 20 30 FEEDRO C#C[C@](C)(CC)[NH2+]Cc1nc2cc(S(=O)(=O)N(CC)CC)ccc2[nH]1 ZINC000852100172 682220015 /nfs/dbraw/zinc/22/00/15/682220015.db2.gz FWEJGKYAFMETNU-GOSISDBHSA-N 1 0 362.499 2.485 20 30 FEEDRO CCCC[N@H+](C)CC1CCN(c2cccc(S(N)(=O)=O)c2C#N)CC1 ZINC000784571213 682238545 /nfs/dbraw/zinc/23/85/45/682238545.db2.gz IUPIWHDGZWPLQK-UHFFFAOYSA-N 1 0 364.515 2.154 20 30 FEEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC1CCN(C(=O)OCC)CC1 ZINC000852302942 682256857 /nfs/dbraw/zinc/25/68/57/682256857.db2.gz IORUMNHBIBSCBX-NVXWUHKLSA-N 1 0 351.491 2.448 20 30 FEEDRO C[NH+]1C[C@@]2(C)CN(S(=O)(=O)c3ccc(Cl)c(C#N)c3)C[C@]2(C)C1 ZINC000918350306 685538551 /nfs/dbraw/zinc/53/85/51/685538551.db2.gz APPVUYHVPSSSEK-HOTGVXAUSA-N 1 0 353.875 2.174 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCc2ccc(F)c(F)c2)C1 ZINC000970017228 682284164 /nfs/dbraw/zinc/28/41/64/682284164.db2.gz PROWCSGEDSCCGE-RKVPGOIHSA-N 1 0 350.409 2.289 20 30 FEEDRO C[N@H+]1C[C@]2(C)CN(S(=O)(=O)c3ccc(C#N)cc3Cl)C[C@]2(C)C1 ZINC000918359892 685538757 /nfs/dbraw/zinc/53/87/57/685538757.db2.gz MAVOHLMDYXDRPG-IYBDPMFKSA-N 1 0 353.875 2.174 20 30 FEEDRO C[NH+]1C[C@]2(C)CN(S(=O)(=O)c3cc(C#N)ccc3Cl)C[C@@]2(C)C1 ZINC000918359600 685538803 /nfs/dbraw/zinc/53/88/03/685538803.db2.gz FAYKWEJERKOZKI-HZPDHXFCSA-N 1 0 353.875 2.174 20 30 FEEDRO C#CCN(CC(=O)OC(C)(C)C)C(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000853346864 682407388 /nfs/dbraw/zinc/40/73/88/682407388.db2.gz APMLKJZGDFUMLY-OAHLLOKOSA-N 1 0 365.499 2.337 20 30 FEEDRO COc1c[nH+]ccc1N1CCN(c2cc(Br)cnc2C#N)CC1 ZINC000853564872 682434910 /nfs/dbraw/zinc/43/49/10/682434910.db2.gz VOSGTBUKFCWQCD-UHFFFAOYSA-N 1 0 374.242 2.446 20 30 FEEDRO CCCN1C(=O)[C@@H](CC(=O)NCC[NH+](C)C)SC1=Nc1ccsc1 ZINC000790738967 682698431 /nfs/dbraw/zinc/69/84/31/682698431.db2.gz MMXPYUIMRYMWNX-CYBMUJFWSA-N 1 0 368.528 2.158 20 30 FEEDRO CC[NH+](CC)CC#C[C@@H](C)OC(=O)[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000793179844 682869996 /nfs/dbraw/zinc/86/99/96/682869996.db2.gz MULWCTJBNWOMBG-NVXWUHKLSA-N 1 0 363.479 2.225 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N(C)C[C@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000858236535 682947998 /nfs/dbraw/zinc/94/79/98/682947998.db2.gz RFXDBUBBBDVGEJ-AWEZNQCLSA-N 1 0 354.495 2.191 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)NCc1cc(F)c(Br)cc1F ZINC000858493057 682972870 /nfs/dbraw/zinc/97/28/70/682972870.db2.gz HRZTZZIEOOYIEZ-UHFFFAOYSA-N 1 0 374.229 2.482 20 30 FEEDRO C=CCS(=O)(=O)CC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C12CCC2 ZINC000926126063 683079655 /nfs/dbraw/zinc/07/96/55/683079655.db2.gz ORYQELMPJPPSMU-AWEZNQCLSA-N 1 0 358.504 2.109 20 30 FEEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1C[C@H]([NH3+])C(C)(C)C1 ZINC000927854281 683326646 /nfs/dbraw/zinc/32/66/46/683326646.db2.gz LTQMXSVXWKJRBB-DOMZBBRYSA-N 1 0 360.483 2.215 20 30 FEEDRO C[C@@H]1CN(C(=O)C(=O)Nc2scc(C(C)(C)C)c2C#N)CC[C@@H]1C[NH3+] ZINC000927890154 683334701 /nfs/dbraw/zinc/33/47/01/683334701.db2.gz GAOKCCSKWCDEMM-VXGBXAGGSA-N 1 0 362.499 2.299 20 30 FEEDRO C=CCN1CC[C@H]([N@H+]2CCC[C@H](C)[C@H]2CNC(=O)OC(C)(C)C)C1=O ZINC000799124917 683425141 /nfs/dbraw/zinc/42/51/41/683425141.db2.gz BFQBRNKIJFDBSS-HRCADAONSA-N 1 0 351.491 2.399 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)[C@@H](C)Oc2cccc(Br)c2)CC1 ZINC000928656461 683482659 /nfs/dbraw/zinc/48/26/59/683482659.db2.gz VPGAOKLJIVNQAA-CYBMUJFWSA-N 1 0 365.271 2.430 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)c2sc(N3CCCC3)nc2Cl)CC1 ZINC000928656892 683482810 /nfs/dbraw/zinc/48/28/10/683482810.db2.gz FUXGNDLCUSQXDF-UHFFFAOYSA-N 1 0 352.891 2.224 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)c2ccc(Br)cc2OC)CC1 ZINC000928658250 683483083 /nfs/dbraw/zinc/48/30/83/683483083.db2.gz OHASXSDXIOXSTK-UHFFFAOYSA-N 1 0 351.244 2.285 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)c2cccc(I)c2)CC1 ZINC000928660373 683483538 /nfs/dbraw/zinc/48/35/38/683483538.db2.gz BFGHYLWKZRFWAH-UHFFFAOYSA-N 1 0 368.218 2.119 20 30 FEEDRO COc1cc(C[NH2+]Cc2csc(C#N)c2)ccc1OCC(=O)N(C)C ZINC000921539024 683496319 /nfs/dbraw/zinc/49/63/19/683496319.db2.gz MXWKXQCBRAOALX-UHFFFAOYSA-N 1 0 359.451 2.385 20 30 FEEDRO Cc1cc(C#N)cc(C)c1C[NH2+]C[C@](O)(c1nccn1C)C(F)(F)F ZINC000921735941 683560948 /nfs/dbraw/zinc/56/09/48/683560948.db2.gz QEFFGBDPWLRGHG-INIZCTEOSA-N 1 0 352.360 2.448 20 30 FEEDRO CS(=O)(=O)Nc1ccc(OCC[NH2+]Cc2csc(C#N)c2)cc1 ZINC000921962801 683626746 /nfs/dbraw/zinc/62/67/46/683626746.db2.gz CNJWQGTVSMRMKP-UHFFFAOYSA-N 1 0 351.453 2.160 20 30 FEEDRO CC(C)(C)NS(=O)(=O)c1ccccc1N=NC1C[N@@H+]2C[C@@H]1CCC2 ZINC000863082838 683676958 /nfs/dbraw/zinc/67/69/58/683676958.db2.gz QMEJPWQOJVJFAR-ZDUSSCGKSA-N 1 0 350.488 2.257 20 30 FEEDRO O=c1ccn(N=C2CCN(Cc3c(F)cccc3Cl)CC2)c(=O)[nH]1 ZINC000863185059 683683470 /nfs/dbraw/zinc/68/34/70/683683470.db2.gz UDPKAOXJDOLBJS-UHFFFAOYSA-N 1 0 350.781 2.242 20 30 FEEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1cnn(CC)n1 ZINC000863274700 683696533 /nfs/dbraw/zinc/69/65/33/683696533.db2.gz MCDHHZXQPVIGDS-UHFFFAOYSA-N 1 0 361.519 2.396 20 30 FEEDRO N#CC1(C[C@H](O)C[NH2+]C[C@@H]2COC3(CCCCCC3)O2)CCOCC1 ZINC000863553484 683741586 /nfs/dbraw/zinc/74/15/86/683741586.db2.gz CKJPBLZGQQGVCJ-DLBZAZTESA-N 1 0 352.475 2.113 20 30 FEEDRO C[NH+](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(CCC#N)CC(C)(C)C ZINC000865181983 683947005 /nfs/dbraw/zinc/94/70/05/683947005.db2.gz MYQNGXQEXBRMIF-AWEZNQCLSA-N 1 0 354.495 2.230 20 30 FEEDRO C=C(Cl)C[C@H]1NC(=O)N(C[C@@H](c2cccc(OC)c2)[NH+](C)C)C1=O ZINC000865297582 683963187 /nfs/dbraw/zinc/96/31/87/683963187.db2.gz YWHDXLDGXWWZBS-CABCVRRESA-N 1 0 351.834 2.361 20 30 FEEDRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+][C@@H]2Cc3ccc(C#N)cc3C2)c1 ZINC000866617498 684126894 /nfs/dbraw/zinc/12/68/94/684126894.db2.gz KHDQBKGVIZXJRO-FZKQIMNGSA-N 1 0 355.463 2.284 20 30 FEEDRO N#Cc1cc(F)cc(S(=O)(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000866880373 684172993 /nfs/dbraw/zinc/17/29/93/684172993.db2.gz OSBLOCNZNMXAJN-AWEZNQCLSA-N 1 0 351.447 2.194 20 30 FEEDRO C[NH+]1CCC2(CCN(S(=O)(=O)c3ccc(F)cc3C#N)CC2)CC1 ZINC000867619069 684333411 /nfs/dbraw/zinc/33/34/11/684333411.db2.gz OBHWZWGDQBYUBG-UHFFFAOYSA-N 1 0 351.447 2.194 20 30 FEEDRO C[NH+]1CCN(c2ccc(CNC(=O)Nc3sccc3C#N)cn2)CC1 ZINC000931845870 684356011 /nfs/dbraw/zinc/35/60/11/684356011.db2.gz OLPOGDADQJQTAC-UHFFFAOYSA-N 1 0 356.455 2.088 20 30 FEEDRO C=C(C[NH+](C)C)C(=O)NCc1ccn(-c2ccc(Br)cc2)n1 ZINC000924192020 684415490 /nfs/dbraw/zinc/41/54/90/684415490.db2.gz LKTSCBMABGMMHO-UHFFFAOYSA-N 1 0 363.259 2.369 20 30 FEEDRO C=CCN(CC=C)[C@@H](C[NH2+][C@H](C)C1CCN(S(C)(=O)=O)CC1)C(C)C ZINC000924642675 684476770 /nfs/dbraw/zinc/47/67/70/684476770.db2.gz JAHVPELDMOYVJV-MJGOQNOKSA-N 1 0 371.591 2.335 20 30 FEEDRO C[C@@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1cccc(Br)n1 ZINC000925418175 684561196 /nfs/dbraw/zinc/56/11/96/684561196.db2.gz ZTZQYXIAZWQWLM-KDGRRTAISA-N 1 0 365.231 2.021 20 30 FEEDRO C=CC[C@H](CO)C[NH2+][C@H]1[C@@H]2COC[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C2 ZINC000925696220 684579164 /nfs/dbraw/zinc/57/91/64/684579164.db2.gz JQXUXZJHNIXJJE-KSWRQPAISA-N 1 0 354.491 2.079 20 30 FEEDRO CN(CCCCCC[NH3+])S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000871822445 684863612 /nfs/dbraw/zinc/86/36/12/684863612.db2.gz FUKVFOBOZZDHHT-UHFFFAOYSA-N 1 0 374.304 2.460 20 30 FEEDRO C[NH+](C)C1(C)CCC(N=Nc2ccc(S(=O)(=O)NC3CC3)cn2)CC1 ZINC000872342246 684938452 /nfs/dbraw/zinc/93/84/52/684938452.db2.gz KFELYGVRVZLUPX-UHFFFAOYSA-N 1 0 365.503 2.185 20 30 FEEDRO CC(C)[N@H+](CCO)CC1CCN(C(=O)c2ncc(C#N)cc2Cl)CC1 ZINC000910863540 685130546 /nfs/dbraw/zinc/13/05/46/685130546.db2.gz JVYCTZMYKAAPAI-UHFFFAOYSA-N 1 0 364.877 2.162 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cncc(C(F)F)c2)CC1 ZINC000873705761 685194824 /nfs/dbraw/zinc/19/48/24/685194824.db2.gz HXWFAOYHKRZXMC-UHFFFAOYSA-N 1 0 352.385 2.114 20 30 FEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000876546899 686217253 /nfs/dbraw/zinc/21/72/53/686217253.db2.gz ZQVOCCKJSNUOJK-OAHLLOKOSA-N 1 0 371.890 2.270 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N1CCN(C(=O)CCC2CCCCC2)CC1 ZINC000876611906 686228389 /nfs/dbraw/zinc/22/83/89/686228389.db2.gz VOOOPNPPZBBCFM-INIZCTEOSA-N 1 0 355.910 2.488 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N(C)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000876657888 686238316 /nfs/dbraw/zinc/23/83/16/686238316.db2.gz VRQVUXAIGBOZKX-JSGCOSHPSA-N 1 0 356.253 2.374 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H]1CCCN(c2ccccc2Cl)C1=O ZINC000876680666 686242569 /nfs/dbraw/zinc/24/25/69/686242569.db2.gz GVXWFSHIIVGSPN-QWHCGFSZSA-N 1 0 356.253 2.422 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 ZINC000876732328 686255648 /nfs/dbraw/zinc/25/56/48/686255648.db2.gz ZIOVDCYUCWCZRU-ZDUSSCGKSA-N 1 0 371.268 2.382 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NCCc1ccc(OCC(F)(F)F)nc1 ZINC000876892248 686288156 /nfs/dbraw/zinc/28/81/56/686288156.db2.gz INKWFDZRBRGQII-NSHDSACASA-N 1 0 351.756 2.151 20 30 FEEDRO C#CCCCCCC[NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000876907684 686292575 /nfs/dbraw/zinc/29/25/75/686292575.db2.gz HGUDUYDLXDJXBL-UHFFFAOYSA-N 1 0 364.511 2.381 20 30 FEEDRO C[C@H]1C[NH+](C[C@@H](O)c2ccc(Br)cc2)C[C@H](C)N1CC#N ZINC000878771350 686655483 /nfs/dbraw/zinc/65/54/83/686655483.db2.gz JNMDPKOAVPWZMV-HEHGZKQESA-N 1 0 352.276 2.401 20 30 FEEDRO CCOP(=O)(OCC)[C@H](O)C[NH+]1CCN(c2ccc(C#N)cc2)CC1 ZINC000879586512 686864443 /nfs/dbraw/zinc/86/44/43/686864443.db2.gz FNHAKYAECCMBDP-KRWDZBQOSA-N 1 0 367.386 2.265 20 30 FEEDRO C=CCC[C@H]([NH2+]CC1(N2CCOCC2)CC(OCC)C1)[C@@H]1CCCO1 ZINC000883218768 687589660 /nfs/dbraw/zinc/58/96/60/687589660.db2.gz HASCSURDBDWCIG-NUVZVAJJSA-N 1 0 352.519 2.360 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N(CCC[NH3+])CC(F)(F)F)cc1Cl ZINC000883470442 687639272 /nfs/dbraw/zinc/63/92/72/687639272.db2.gz WFYHDAYIBDXTFM-UHFFFAOYSA-N 1 0 355.769 2.113 20 30 FEEDRO N#C[C@H]1C[NH2+]CC12CC(C(=O)NCc1ccc(Br)s1)C2 ZINC000884088379 687786018 /nfs/dbraw/zinc/78/60/18/687786018.db2.gz ICYKDACTRVPNCG-XIRUVYRFSA-N 1 0 354.273 2.266 20 30 FEEDRO N#C[C@@H]1C[NH2+]CC12CC(C(=O)N1CCN(c3cccc(Cl)c3)CC1)C2 ZINC000884175953 687808370 /nfs/dbraw/zinc/80/83/70/687808370.db2.gz OQTJYFPVGONDGP-XAUUPUKJSA-N 1 0 358.873 2.128 20 30 FEEDRO N#C[C@H]1C[NH2+]CC12CC(C(=O)N[C@H]1CCN(c3cccc(Cl)c3)C1)C2 ZINC000884232411 687825815 /nfs/dbraw/zinc/82/58/15/687825815.db2.gz QMNMOHARPWTPGG-IJSAUFJJSA-N 1 0 358.873 2.174 20 30 FEEDRO N#C[C@H]1C[NH2+]CC12CC(C(=O)N(Cc1cccs1)C[C@H]1CCCO1)C2 ZINC000884377632 687859421 /nfs/dbraw/zinc/85/94/21/687859421.db2.gz QEHISTAHHKZSCO-YJTLQXIOSA-N 1 0 359.495 2.395 20 30 FEEDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1c(C)cc(F)cc1C#N ZINC000885459602 688078796 /nfs/dbraw/zinc/07/87/96/688078796.db2.gz LBMJICVZWYACRN-CVEARBPZSA-N 1 0 351.447 2.253 20 30 FEEDRO N#CCCc1ccc(S(=O)(=O)N2CCOc3ccc(C[NH3+])cc32)cc1 ZINC000886889150 688333572 /nfs/dbraw/zinc/33/35/72/688333572.db2.gz IHOQDUVGZSLPFM-UHFFFAOYSA-N 1 0 357.435 2.189 20 30 FEEDRO CCN(C(=O)C(=O)Nc1ccccc1SC[C@@H](C)C#N)[C@@H]1CC[NH2+]C1 ZINC000886997505 688352681 /nfs/dbraw/zinc/35/26/81/688352681.db2.gz NLHAWCONFJTOCY-UONOGXRCSA-N 1 0 360.483 2.087 20 30 FEEDRO C=CCCc1ccccc1NC(=O)C(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC000887034997 688360100 /nfs/dbraw/zinc/36/01/00/688360100.db2.gz DFVLLCONRZFBPN-CQSZACIVSA-N 1 0 351.397 2.105 20 30 FEEDRO CSc1ccc(CNC(=O)Nc2cnn(CC[NH+](C)C)c2)cc1C#N ZINC000887849050 688504849 /nfs/dbraw/zinc/50/48/49/688504849.db2.gz DIWPNWXCPFLIRZ-UHFFFAOYSA-N 1 0 358.471 2.360 20 30 FEEDRO CCN1CC[NH+](C[C@@H](C)CNC(=O)Nc2nc(Cl)c(C#N)s2)CC1 ZINC000888412408 688607063 /nfs/dbraw/zinc/60/70/63/688607063.db2.gz JJYKOHCYONHZKR-NSHDSACASA-N 1 0 370.910 2.063 20 30 FEEDRO CC[NH+](CC)[C@H](CNC(=O)N1CCO[C@@](C)(C#N)C1)c1ccsc1 ZINC000891875940 689120922 /nfs/dbraw/zinc/12/09/22/689120922.db2.gz DDVLXCXPCCLOLI-WBVHZDCISA-N 1 0 350.488 2.455 20 30 FEEDRO CN(Cc1cc(C#N)cs1)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000893742656 689397455 /nfs/dbraw/zinc/39/74/55/689397455.db2.gz LLPRZOATVUTETE-SJORKVTESA-N 1 0 362.499 2.139 20 30 FEEDRO C#C[C@@H]([NH2+]C1CCN(S(C)(=O)=O)CC1)c1ccc(Br)cc1 ZINC000894870936 689611723 /nfs/dbraw/zinc/61/17/23/689611723.db2.gz QEYVFTMMNZDSSG-OAHLLOKOSA-N 1 0 371.300 2.137 20 30 FEEDRO O=C1[C@H]([NH2+]CC2=Cc3cc(Br)ccc3OC2)CCCN1O ZINC000895164088 689669657 /nfs/dbraw/zinc/66/96/57/689669657.db2.gz BUWGCUMYJVRSEU-CYBMUJFWSA-N 1 0 353.216 2.195 20 30 FEEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]CCc1ccccc1S(C)(=O)=O ZINC000896814282 689933772 /nfs/dbraw/zinc/93/37/72/689933772.db2.gz LNCREMAEBOJFLQ-OAHLLOKOSA-N 1 0 350.484 2.321 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCc2cscc2Cl)CC1 ZINC000897675026 690061300 /nfs/dbraw/zinc/06/13/00/690061300.db2.gz OPYQYVAFJVQQBV-UHFFFAOYSA-N 1 0 355.891 2.174 20 30 FEEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@@H]2CCS(=O)(=O)C3(CC(C(=O)OC)C3)C2)C1 ZINC000898486655 690191231 /nfs/dbraw/zinc/19/12/31/690191231.db2.gz FHTCGSVYGNQYIW-MYPHYYIGSA-N 1 0 355.500 2.220 20 30 FEEDRO C#CCSCC(=O)N1CC[C@@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1 ZINC000899024603 690288880 /nfs/dbraw/zinc/28/88/80/690288880.db2.gz BLJQUSCJIHERKU-GOSISDBHSA-N 1 0 361.511 2.268 20 30 FEEDRO C[C@H]1C[NH+](CCCNC(=O)C(F)(F)c2ccccc2C#N)C[C@H](C)O1 ZINC000900055478 690468018 /nfs/dbraw/zinc/46/80/18/690468018.db2.gz FKAQAHCHGZNEJA-KBPBESRZSA-N 1 0 351.397 2.266 20 30 FEEDRO C=C(Cl)C[C@@H]1NC(=O)N(c2cc(C)nn2C2CC[NH+](C)CC2)C1=O ZINC000900237441 690488820 /nfs/dbraw/zinc/48/88/20/690488820.db2.gz JBAZKNRKUPMWPT-ZDUSSCGKSA-N 1 0 351.838 2.026 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000901264106 690630846 /nfs/dbraw/zinc/63/08/46/690630846.db2.gz WERQEDYBGTYDAP-OAHLLOKOSA-N 1 0 353.825 2.209 20 30 FEEDRO CC[NH+]1CCC(NC(=O)COc2cc(Br)ccc2C#N)CC1 ZINC000902435628 690765697 /nfs/dbraw/zinc/76/56/97/690765697.db2.gz KUJZIFIVXHKFLK-UHFFFAOYSA-N 1 0 366.259 2.300 20 30 FEEDRO C=CCC[C@@H]([NH2+]CCS(=O)(=O)C1CCOCC1)[C@@]1(C)CCCCO1 ZINC000903007555 690829968 /nfs/dbraw/zinc/82/99/68/690829968.db2.gz BYZIYMWRFOOKGJ-QZTJIDSGSA-N 1 0 359.532 2.464 20 30 FEEDRO CC[C@@H]1CN(S(=O)(=O)c2ccc(Br)c(C#N)c2)CC[C@H]1[NH3+] ZINC000903495070 690901112 /nfs/dbraw/zinc/90/11/12/690901112.db2.gz RDFTVFLCIPLHET-QMTHXVAHSA-N 1 0 372.288 2.069 20 30 FEEDRO N#Cc1cc(S(=O)(=O)N2CCCC[C@H]2CC[NH3+])ccc1Br ZINC000903498796 690901776 /nfs/dbraw/zinc/90/17/76/690901776.db2.gz IYZFIPKDHVKBQS-LBPRGKRZSA-N 1 0 372.288 2.213 20 30 FEEDRO N#Cc1sc2ccccc2c1S(=O)(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000903499881 690902164 /nfs/dbraw/zinc/90/21/64/690902164.db2.gz OCPYKIUPJHGDEU-GFCCVEGCSA-N 1 0 357.407 2.048 20 30 FEEDRO C=CCCc1ccc(S(=O)(=O)N[C@H]2C[NH2+]CC3(CCOCC3)C2)cc1 ZINC000903544770 690918995 /nfs/dbraw/zinc/91/89/95/690918995.db2.gz YQZNGTBUKCODDM-QGZVFWFLSA-N 1 0 364.511 2.242 20 30 FEEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N1C[C@H]([NH3+])C(C)(C)C1 ZINC000903716319 690966495 /nfs/dbraw/zinc/96/64/95/690966495.db2.gz WDTROSZMRZLQLL-LBPRGKRZSA-N 1 0 355.891 2.112 20 30 FEEDRO CC1(C)C[NH2+][C@H]1C1CCN(S(=O)(=O)c2cc(F)cc(C#N)c2)CC1 ZINC000905358004 691108391 /nfs/dbraw/zinc/10/83/91/691108391.db2.gz ZQFLSGOKNAFVKD-INIZCTEOSA-N 1 0 351.447 2.096 20 30 FEEDRO Cn1ncc(C(F)(F)F)c1C[NH2+]C[C@](C)(O)C(F)(F)C(F)(F)F ZINC000905390060 691112547 /nfs/dbraw/zinc/11/25/47/691112547.db2.gz ODAMQPOTCLPURQ-QMMMGPOBSA-N 1 0 355.229 2.477 20 30 FEEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+]C[C@@H]2CC[C@@H](C(F)(F)F)O2)c1 ZINC000905516026 691130001 /nfs/dbraw/zinc/13/00/01/691130001.db2.gz IVLQGGMDGZTAME-JSGCOSHPSA-N 1 0 362.373 2.031 20 30 FEEDRO CC(C)(C)OC(=O)N1CCC([C@@H](O)C[NH2+]Cc2nc(C#N)cs2)CC1 ZINC000905656507 691157711 /nfs/dbraw/zinc/15/77/11/691157711.db2.gz XCEWGDNKRASURR-AWEZNQCLSA-N 1 0 366.487 2.112 20 30 FEEDRO N#Cc1cnc(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)c(Cl)c1 ZINC001164733746 720552858 /nfs/dbraw/zinc/55/28/58/720552858.db2.gz RDXLDWJQRYHFQH-UHFFFAOYSA-N 1 0 356.861 2.462 20 30 FEEDRO N#Cc1cc(Cl)nc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)c1 ZINC001164867943 721039003 /nfs/dbraw/zinc/03/90/03/721039003.db2.gz LDJSIMYTKWMVNQ-IAGOWNOFSA-N 1 0 369.856 2.481 20 30 FEEDRO Cc1nc(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)ccc1C#N ZINC001164884029 721422852 /nfs/dbraw/zinc/42/28/52/721422852.db2.gz CZNAEXZVNXBMDZ-PZJWPPBQSA-N 1 0 369.513 2.027 20 30 FEEDRO N#Cc1nc(Cl)cnc1N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164897207 721519939 /nfs/dbraw/zinc/51/99/39/721519939.db2.gz FIXFYLQWBOOFMY-DZGCQCFKSA-N 1 0 373.819 2.483 20 30 FEEDRO N#Cc1nc(NCC2(N3CCOCC3)CCOCC2)ccc1C(F)(F)F ZINC000516013082 887752867 /nfs/dbraw/zinc/75/28/67/887752867.db2.gz UKVPZEDFGOLGPD-UHFFFAOYSA-N 1 0 370.375 2.265 20 30 FEEDRO CC(C)N1CC[C@H]([NH2+]CC(=O)NCC#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000549344662 674035348 /nfs/dbraw/zinc/03/53/48/674035348.db2.gz VADSHRILCDFUQZ-DOTOQJQBSA-N 1 0 352.841 2.232 20 30 FEEDRO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)CC(=O)N1CCCC1 ZINC000011502132 539529281 /nfs/dbraw/zinc/52/92/81/539529281.db2.gz PESHYBOVGZNZEZ-UHFFFAOYSA-N 1 0 374.510 2.381 20 30 FEEDRO CC(C)[C@@](C)(C#N)NC(=O)CN1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000021405220 539683022 /nfs/dbraw/zinc/68/30/22/539683022.db2.gz SODLWVBTKJBAOK-OAQYLSRUSA-N 1 0 367.497 2.120 20 30 FEEDRO Cc1ccccc1C[NH+]1CCN(C[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC000025230344 539751833 /nfs/dbraw/zinc/75/18/33/539751833.db2.gz PIAYGZGCGFEHTM-OAQYLSRUSA-N 1 0 365.477 2.424 20 30 FEEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH+]2CCC(C(N)=O)CC2)c1 ZINC000025525595 539761977 /nfs/dbraw/zinc/76/19/77/539761977.db2.gz DBGJVGPUIXHBGE-INIZCTEOSA-N 1 0 356.470 2.136 20 30 FEEDRO N#CCc1ccc(OC[C@@H](O)C[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000025865808 539771478 /nfs/dbraw/zinc/77/14/78/539771478.db2.gz DGWHXXYGRWBGMX-FQEVSTJZSA-N 1 0 351.450 2.315 20 30 FEEDRO N#Cc1ccccc1S(=O)(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000026833001 539794188 /nfs/dbraw/zinc/79/41/88/539794188.db2.gz XZMPDTPLDDPKDT-UHFFFAOYSA-N 1 0 355.463 2.285 20 30 FEEDRO CC1CC[NH+](Cc2ccc(CNS(=O)(=O)N(C)CCC#N)cc2)CC1 ZINC000028038525 539824942 /nfs/dbraw/zinc/82/49/42/539824942.db2.gz FNABBAGNWPHQKK-UHFFFAOYSA-N 1 0 364.515 2.098 20 30 FEEDRO C[N@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)CC(=O)NC(C)(C)C ZINC000028900324 539838873 /nfs/dbraw/zinc/83/88/73/539838873.db2.gz OSZJLXHGUQDNRN-UHFFFAOYSA-N 1 0 350.850 2.387 20 30 FEEDRO CC(=O)Nc1ccc(OC[C@H](O)C[N@@H+](C)Cc2cccc(C#N)c2)cc1 ZINC000029723882 539862394 /nfs/dbraw/zinc/86/23/94/539862394.db2.gz BLHRXEDMKTWNEU-LJQANCHMSA-N 1 0 353.422 2.388 20 30 FEEDRO COc1cc(C#N)ccc1OCC(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000044582443 540131971 /nfs/dbraw/zinc/13/19/71/540131971.db2.gz QOQIQNZBTCDRCK-HZPDHXFCSA-N 1 0 359.470 2.430 20 30 FEEDRO N#Cc1cc([N+](=O)[O-])ccc1NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000046479061 540258972 /nfs/dbraw/zinc/25/89/72/540258972.db2.gz SBYBBRKFOUNSFR-GOSISDBHSA-N 1 0 352.394 2.298 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1ccc2c(c1)NC(=O)CO2)C(C)C ZINC000047633209 540322102 /nfs/dbraw/zinc/32/21/02/540322102.db2.gz WOPMDBOFRPYLEJ-KRWDZBQOSA-N 1 0 357.454 2.446 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N2CCC(NC(=O)c3ccc(C)s3)CC2)CC1 ZINC000050475194 540406609 /nfs/dbraw/zinc/40/66/09/540406609.db2.gz BZRZHDYYOCQBRX-UHFFFAOYSA-N 1 0 373.522 2.123 20 30 FEEDRO CN(C(=O)C[N@@H+]1CCC[C@H](C(=O)N2CCCCC2)C1)C1(C#N)CCCCC1 ZINC000051557014 540437511 /nfs/dbraw/zinc/43/75/11/540437511.db2.gz VLWIXACLAVLZDY-SFHVURJKSA-N 1 0 374.529 2.396 20 30 FEEDRO C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000052829739 540491693 /nfs/dbraw/zinc/49/16/93/540491693.db2.gz WZMYYGJREXHRAN-STQMWFEESA-N 1 0 350.850 2.076 20 30 FEEDRO Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NCC1([NH+](C)C)CCCC1 ZINC000052936880 540501105 /nfs/dbraw/zinc/50/11/05/540501105.db2.gz WUPVAQIGQYDJLV-UHFFFAOYSA-N 1 0 368.485 2.141 20 30 FEEDRO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)CCCOc1cccc(Cl)c1 ZINC000053742208 540551609 /nfs/dbraw/zinc/55/16/09/540551609.db2.gz XNIGILKWKZPFOQ-CYBMUJFWSA-N 1 0 353.850 2.441 20 30 FEEDRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)C(=O)Nc2ccc(C#N)cc2)C1 ZINC000054946255 540618046 /nfs/dbraw/zinc/61/80/46/540618046.db2.gz DJFPIUVNOBFZKQ-GASCZTMLSA-N 1 0 356.470 2.369 20 30 FEEDRO CCC(=O)N1CCC[C@@H](C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)C1 ZINC000055388329 540649809 /nfs/dbraw/zinc/64/98/09/540649809.db2.gz MJASZSWKEXOQFP-LJQANCHMSA-N 1 0 370.497 2.097 20 30 FEEDRO COCCN(Cc1ccc(C#N)cc1)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000057610888 540803956 /nfs/dbraw/zinc/80/39/56/540803956.db2.gz KAALKYPXZITMGV-UHFFFAOYSA-N 1 0 356.470 2.343 20 30 FEEDRO C=CCc1cc(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc(OC)c1OC ZINC000061649948 541136363 /nfs/dbraw/zinc/13/63/63/541136363.db2.gz ZGSCCNSPZBEKGY-DLBZAZTESA-N 1 0 360.454 2.025 20 30 FEEDRO N#Cc1ccsc1NC(=O)CN1CC[NH+](CCc2cccs2)CC1 ZINC000064352336 541202178 /nfs/dbraw/zinc/20/21/78/541202178.db2.gz OAVWFROSCUMBEY-UHFFFAOYSA-N 1 0 360.508 2.480 20 30 FEEDRO COc1ccc(S(=O)(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)cc1 ZINC000065975282 541275975 /nfs/dbraw/zinc/27/59/75/541275975.db2.gz OIHLUKCHOUCXCX-UHFFFAOYSA-N 1 0 373.478 2.319 20 30 FEEDRO C[C@@H](CNC(=O)CCC(=O)N(CCC#N)c1ccccc1)[N@H+](C)C1CC1 ZINC000066623541 541348886 /nfs/dbraw/zinc/34/88/86/541348886.db2.gz CUPXDJQRKMNHMI-INIZCTEOSA-N 1 0 356.470 2.312 20 30 FEEDRO N#CCCN(C(=O)CCC(=O)N1CC[C@H]([NH+]2CCCC2)C1)c1ccccc1 ZINC000066623689 541348906 /nfs/dbraw/zinc/34/89/06/541348906.db2.gz CFHQBIHBEURAOM-IBGZPJMESA-N 1 0 368.481 2.410 20 30 FEEDRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)NC1CCN(c2ccc(C#N)cn2)CC1 ZINC000067033475 541408998 /nfs/dbraw/zinc/40/89/98/541408998.db2.gz ZINYTVQEJTVZPP-MRXNPFEDSA-N 1 0 370.501 2.096 20 30 FEEDRO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)Nc2ccc(C#N)cc2)c1 ZINC000067015323 541406973 /nfs/dbraw/zinc/40/69/73/541406973.db2.gz PULUOQZOFKRUDL-UHFFFAOYSA-N 1 0 365.437 2.171 20 30 FEEDRO N#CCCN(C(=O)CCC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1ccccc1 ZINC000068280386 541572044 /nfs/dbraw/zinc/57/20/44/541572044.db2.gz VGWABEKGNITFFJ-RTBURBONSA-N 1 0 368.481 2.456 20 30 FEEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)CN1CCCCCCC1=O ZINC000068310141 541575052 /nfs/dbraw/zinc/57/50/52/541575052.db2.gz FGPGWTGTNUEFEV-UHFFFAOYSA-N 1 0 370.497 2.241 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)NCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000069111938 541658523 /nfs/dbraw/zinc/65/85/23/541658523.db2.gz RPTZNZKRSQTDII-UHFFFAOYSA-N 1 0 362.430 2.313 20 30 FEEDRO C=CCOc1ccc(C[NH2+]CCS(=O)(=O)NCc2ccccc2)cc1 ZINC000069065414 541653224 /nfs/dbraw/zinc/65/32/24/541653224.db2.gz YXHXREIOMBLBCC-UHFFFAOYSA-N 1 0 360.479 2.461 20 30 FEEDRO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@H](CN2CCOCC2)C1 ZINC000070011405 541729915 /nfs/dbraw/zinc/72/99/15/541729915.db2.gz NPPCDYAULFLIFR-CTNGQTDRSA-N 1 0 374.525 2.199 20 30 FEEDRO C[N@@H+](Cc1ccc2c(c1)OCCO2)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000072702314 541854416 /nfs/dbraw/zinc/85/44/16/541854416.db2.gz CIAOTAWNOMDHLA-SFHVURJKSA-N 1 0 368.433 2.396 20 30 FEEDRO COc1ccc(N2CCC([N@H+](C)CC(=O)N[C@](C)(C#N)C3CC3)CC2)cc1 ZINC000072801315 541868613 /nfs/dbraw/zinc/86/86/13/541868613.db2.gz BVAHLTIPVPITOX-OAQYLSRUSA-N 1 0 370.497 2.404 20 30 FEEDRO CCC(CC)[C@@H](CNC(=O)CNc1ccc(C#N)cc1)[NH+]1CCOCC1 ZINC000050028120 205176830 /nfs/dbraw/zinc/17/68/30/205176830.db2.gz BFFWQHPSZABIAC-LJQANCHMSA-N 1 0 358.486 2.223 20 30 FEEDRO CCCCCNC(=O)C1CC[NH+](C[C@H](O)COc2ccc(C#N)cc2)CC1 ZINC000051800263 205183734 /nfs/dbraw/zinc/18/37/34/205183734.db2.gz WBEFMOSQBKBSQV-IBGZPJMESA-N 1 0 373.497 2.316 20 30 FEEDRO Cc1cc(C)c(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c(=O)[nH]1 ZINC000073304486 541941081 /nfs/dbraw/zinc/94/10/81/541941081.db2.gz NHTSVRMSDWXCAZ-UHFFFAOYSA-N 1 0 364.449 2.212 20 30 FEEDRO N#C[C@H](NC(=O)CC[NH+]1CCN(c2ccccn2)CC1)c1ccccc1F ZINC000073336985 541945492 /nfs/dbraw/zinc/94/54/92/541945492.db2.gz XPGXWFFSCNZZTE-SFHVURJKSA-N 1 0 367.428 2.114 20 30 FEEDRO Cc1ccccc1CNC(=O)CO/[NH+]=C/c1ccc(N2CCOCC2)cc1 ZINC000073459586 541955439 /nfs/dbraw/zinc/95/54/39/541955439.db2.gz ZCHUWRNANUPSQZ-OEAKJJBVSA-N 1 0 367.449 2.499 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1c(C)oc2ncn(C)c(=O)c21)C(C)C ZINC000073707072 541988999 /nfs/dbraw/zinc/98/89/99/541988999.db2.gz SCPPUQGGQAZAKE-HNNXBMFYSA-N 1 0 372.469 2.263 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)CN1C(=O)c2ccccc2C1=O)C(C)C ZINC000073707208 541989084 /nfs/dbraw/zinc/98/90/84/541989084.db2.gz DJZUWRRORMRDAH-GOSISDBHSA-N 1 0 369.465 2.097 20 30 FEEDRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000074134107 542041666 /nfs/dbraw/zinc/04/16/66/542041666.db2.gz WEPWFWVIWMLFHZ-YZGWKJHDSA-N 1 0 369.513 2.104 20 30 FEEDRO C=CCNC(=O)c1ccc(N2CCC(OCC[NH+](CC)CC)CC2)nc1 ZINC000075063875 542150111 /nfs/dbraw/zinc/15/01/11/542150111.db2.gz KRZKXDARSPCTKN-UHFFFAOYSA-N 1 0 360.502 2.325 20 30 FEEDRO C=CCOc1cccc(NC(=O)C(=O)N2CC[C@H](C[NH+](CC)CC)C2)c1 ZINC000076645616 542305230 /nfs/dbraw/zinc/30/52/30/542305230.db2.gz AXEYCLADNWRCIH-MRXNPFEDSA-N 1 0 359.470 2.380 20 30 FEEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000077817124 542423468 /nfs/dbraw/zinc/42/34/68/542423468.db2.gz WXMWNWDETDSABS-KBPBESRZSA-N 1 0 360.483 2.087 20 30 FEEDRO C=C(C)COc1cccc(NC(=O)C(=O)NCCC2CC[NH+](C)CC2)c1 ZINC000077821876 542424459 /nfs/dbraw/zinc/42/44/59/542424459.db2.gz RTEGAGNXUUOXFZ-UHFFFAOYSA-N 1 0 359.470 2.428 20 30 FEEDRO C=CCN1C(=O)c2ccc(C(=O)NCC3([NH+](C)C)CCCCC3)cc2C1=O ZINC000078602502 542470349 /nfs/dbraw/zinc/47/03/49/542470349.db2.gz HOKRZWSOHMOZTB-UHFFFAOYSA-N 1 0 369.465 2.463 20 30 FEEDRO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@]2(C1)CCCN(C(=O)OC(C)(C)C)C2 ZINC000802010687 674158413 /nfs/dbraw/zinc/15/84/13/674158413.db2.gz HCORGUSACUOARM-BEFAXECRSA-N 1 0 351.491 2.400 20 30 FEEDRO N#Cc1cccc(CC(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)c1 ZINC000081668048 542671977 /nfs/dbraw/zinc/67/19/77/542671977.db2.gz CODJWOMZNXCTMB-UHFFFAOYSA-N 1 0 355.482 2.500 20 30 FEEDRO C[C@@H](NC(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1)C(C)(C)C[NH+](C)C ZINC000085423794 542727295 /nfs/dbraw/zinc/72/72/95/542727295.db2.gz RTULLBICYSAREP-IEBWSBKVSA-N 1 0 371.529 2.382 20 30 FEEDRO Cc1nc(-c2cccc(NC(=O)N(CCC#N)CCC[NH+](C)C)c2)n[nH]1 ZINC000086291810 542735731 /nfs/dbraw/zinc/73/57/31/542735731.db2.gz GPWLIBIBBQKENL-UHFFFAOYSA-N 1 0 355.446 2.479 20 30 FEEDRO Cc1csc(CON=C(N)c2ccccc2C[NH+]2CCC(O)CC2)n1 ZINC000088520259 542752304 /nfs/dbraw/zinc/75/23/04/542752304.db2.gz KDZPWRJZJWURFO-UHFFFAOYSA-N 1 0 360.483 2.245 20 30 FEEDRO CC(C)(C)OC(=O)N1CCN2C(NCc3ccc(Cl)nc3)=[NH+]C[C@@H]2C1 ZINC000089120294 542757569 /nfs/dbraw/zinc/75/75/69/542757569.db2.gz NUFULIVSGWPUMI-CYBMUJFWSA-N 1 0 365.865 2.116 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)Cc2c[nH]c3ccc(F)cc23)c1C#N ZINC000089674461 542768446 /nfs/dbraw/zinc/76/84/46/542768446.db2.gz CRDBDCUIEASNSH-UHFFFAOYSA-N 1 0 354.389 2.235 20 30 FEEDRO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)Cc2cccc(OCC#N)c2)C[C@H](C)O1 ZINC000089649764 542767556 /nfs/dbraw/zinc/76/75/56/542767556.db2.gz VKEZGVFDHDDWAV-IYBDPMFKSA-N 1 0 359.470 2.135 20 30 FEEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1CCC[C@@H]([C@@H](C)O)C1 ZINC000089931534 542775428 /nfs/dbraw/zinc/77/54/28/542775428.db2.gz NMPODYQEPUJJPK-GVDBMIGSSA-N 1 0 359.470 2.423 20 30 FEEDRO C[C@H]([NH2+]Cc1cn(CCC#N)nc1-c1ccccc1)[C@@H]1CN(C)CCO1 ZINC000091063559 542792476 /nfs/dbraw/zinc/79/24/76/542792476.db2.gz LNGFIWIXQAQRCE-LPHOPBHVSA-N 1 0 353.470 2.272 20 30 FEEDRO COc1ccc([C@H](C)[N@H+](C)CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)cc1 ZINC000091515364 542811918 /nfs/dbraw/zinc/81/19/18/542811918.db2.gz YAMZDMFNPBOUGR-PXNSSMCTSA-N 1 0 372.513 2.380 20 30 FEEDRO C=CCOc1ccc(C[NH+]2CCC(N(CC)S(C)(=O)=O)CC2)cc1 ZINC000093320538 542926119 /nfs/dbraw/zinc/92/61/19/542926119.db2.gz SSVWLZLYLCFNAJ-UHFFFAOYSA-N 1 0 352.500 2.497 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)NC[C@H]2CCCN(c3ncccn3)C2)CC1 ZINC000094033642 542948483 /nfs/dbraw/zinc/94/84/83/542948483.db2.gz CATFDFQQRBXUNZ-QGZVFWFLSA-N 1 0 372.517 2.033 20 30 FEEDRO N#Cc1cccc(NC(=O)C[NH2+][C@@H](CN2CCOCC2)c2ccccc2)c1 ZINC000102700551 543078330 /nfs/dbraw/zinc/07/83/30/543078330.db2.gz PAXMQFWDWUOHMW-FQEVSTJZSA-N 1 0 364.449 2.160 20 30 FEEDRO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2C[C@H](C(N)=O)CC[C@@H]2C)c1C ZINC000103284091 543101364 /nfs/dbraw/zinc/10/13/64/543101364.db2.gz XKHARMZCLFAWAU-DOTOQJQBSA-N 1 0 356.470 2.136 20 30 FEEDRO N#Cc1ccccc1NC(=O)CC[N@@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000103466782 543108629 /nfs/dbraw/zinc/10/86/29/543108629.db2.gz WOXGPSSQHKZQNK-INIZCTEOSA-N 1 0 364.453 2.304 20 30 FEEDRO CCCCNC(=[NH2+])NCc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000104173118 543125316 /nfs/dbraw/zinc/12/53/16/543125316.db2.gz FENYUKYCNCOSFQ-UHFFFAOYSA-N 1 0 352.504 2.066 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000104800957 543145223 /nfs/dbraw/zinc/14/52/23/543145223.db2.gz HENOTODHSXAOCY-HNNXBMFYSA-N 1 0 364.515 2.033 20 30 FEEDRO CN(C(=O)C[NH+]1CCC(Cc2nccn2C)CC1)C1(C#N)CCCCC1 ZINC000106166390 543211213 /nfs/dbraw/zinc/21/12/13/543211213.db2.gz CRUOGCKQTXNAOZ-UHFFFAOYSA-N 1 0 357.502 2.359 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)NC2CCN(C(=O)CC(C)C)CC2)CC1 ZINC000106268673 543221615 /nfs/dbraw/zinc/22/16/15/543221615.db2.gz DNSHSMUURFASRQ-UHFFFAOYSA-N 1 0 364.534 2.363 20 30 FEEDRO N#C[C@H]1CN(C(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)CCO1 ZINC000106331365 543223292 /nfs/dbraw/zinc/22/32/92/543223292.db2.gz ZGYKQXZEUCOIGN-IRXDYDNUSA-N 1 0 362.861 2.411 20 30 FEEDRO CC1CC[NH+](Cc2cccc(CNC(=O)N3CCO[C@H](C#N)C3)c2)CC1 ZINC000106338649 543223876 /nfs/dbraw/zinc/22/38/76/543223876.db2.gz HQZVIYXVBJPZND-LJQANCHMSA-N 1 0 356.470 2.352 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)Nc2ccc(OCc3nccn3C)cc2)CC1 ZINC000108710307 543300024 /nfs/dbraw/zinc/30/00/24/543300024.db2.gz BXHKXTJJBKRTPL-UHFFFAOYSA-N 1 0 352.438 2.283 20 30 FEEDRO C=CCN(C[C@@H](O)c1ccc(Br)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000108871197 543306704 /nfs/dbraw/zinc/30/67/04/543306704.db2.gz BSWLAQXWPKBCLI-HUUCEWRRSA-N 1 0 374.300 2.158 20 30 FEEDRO CC[NH+](CC)CCOc1ccccc1CNC(=O)C1(C#N)CCOCC1 ZINC000109140465 543315793 /nfs/dbraw/zinc/31/57/93/543315793.db2.gz CIDWEJDOIVBKHH-UHFFFAOYSA-N 1 0 359.470 2.344 20 30 FEEDRO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@@H+](CCO)C1CCCCC1 ZINC000110035997 543346867 /nfs/dbraw/zinc/34/68/67/543346867.db2.gz DWIOYIPNCWCHFE-UHFFFAOYSA-N 1 0 367.453 2.309 20 30 FEEDRO C=CCCO[C@@H](C)C(=O)Nc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000112256110 543436009 /nfs/dbraw/zinc/43/60/09/543436009.db2.gz JYELHBQEGMAHET-INIZCTEOSA-N 1 0 359.470 2.432 20 30 FEEDRO C#CCOc1ccc(C[NH2+]CC[C@@](O)(c2nccn2C)C(F)(F)F)cc1 ZINC000113326540 543483955 /nfs/dbraw/zinc/48/39/55/543483955.db2.gz QSVLTEFQWSEXBG-QGZVFWFLSA-N 1 0 367.371 2.362 20 30 FEEDRO O=C(NCC[NH2+]Cc1ccc(CSC(F)F)o1)C1N=CC=CC1=O ZINC000113361188 543484626 /nfs/dbraw/zinc/48/46/26/543484626.db2.gz LCTIGZAJMHRBFL-YPKPFQOOSA-N 1 0 357.382 2.351 20 30 FEEDRO CC(C)C[C@H](CNC(=O)c1ccc(-n2ncc(C#N)c2N)cc1)[NH+](C)C ZINC000114377812 543511803 /nfs/dbraw/zinc/51/18/03/543511803.db2.gz LEJWZTIAGINQRF-QGZVFWFLSA-N 1 0 354.458 2.032 20 30 FEEDRO CCC[N@@H+]1CC[C@H](CNC(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)C1 ZINC000114573702 543524794 /nfs/dbraw/zinc/52/47/94/543524794.db2.gz MENRQULVBBANPD-WOJBJXKFSA-N 1 0 369.513 2.138 20 30 FEEDRO CC[NH+]1CCN([C@H]2CCN(c3nc(C(F)(F)F)ccc3C#N)C2)CC1 ZINC000115518015 543571269 /nfs/dbraw/zinc/57/12/69/543571269.db2.gz WUUUQFSFIRCFIN-AWEZNQCLSA-N 1 0 353.392 2.188 20 30 FEEDRO N#Cc1ccc([C@@H](Nc2ccc(CC[NH+]3CCOCC3)cc2)C(N)=O)cc1 ZINC000115597905 543577726 /nfs/dbraw/zinc/57/77/26/543577726.db2.gz SIPUEVYYGLGAGP-HXUWFJFHSA-N 1 0 364.449 2.071 20 30 FEEDRO N#Cc1ccc(NC(=O)C(=O)NC2CC[NH+](Cc3ccsc3)CC2)cc1 ZINC000115881186 543592466 /nfs/dbraw/zinc/59/24/66/543592466.db2.gz MQXDOHBKNRTUFF-UHFFFAOYSA-N 1 0 368.462 2.339 20 30 FEEDRO C[N@@H+]1CCC[C@H](CNC(=O)C(=O)Nc2ccccc2SCCC#N)C1 ZINC000118898539 543661622 /nfs/dbraw/zinc/66/16/22/543661622.db2.gz AJFKAPSHIFSTPY-CQSZACIVSA-N 1 0 360.483 2.089 20 30 FEEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000120223712 543676997 /nfs/dbraw/zinc/67/69/97/543676997.db2.gz SLFZNALCRSNXSL-UHFFFAOYSA-N 1 0 369.513 2.282 20 30 FEEDRO CSCc1ccccc1NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C ZINC000122167521 543704471 /nfs/dbraw/zinc/70/44/71/543704471.db2.gz XZKXHEHTAOBQST-UHFFFAOYSA-N 1 0 362.499 2.182 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1c(F)cc(Cl)cc1F ZINC000122178445 543704476 /nfs/dbraw/zinc/70/44/76/543704476.db2.gz RCVYMMPENGALKC-UHFFFAOYSA-N 1 0 372.803 2.251 20 30 FEEDRO N#Cc1ccc2ncc(C[NH2+]C[C@H]3CN(Cc4ccccc4)CCO3)n2c1 ZINC000123176137 543746614 /nfs/dbraw/zinc/74/66/14/543746614.db2.gz SDMAIUCPMSAIOG-FQEVSTJZSA-N 1 0 361.449 2.197 20 30 FEEDRO C=CCN1C(=O)c2ccc(C(=O)N(C)[C@H]3CC[N@H+](C)[C@H](C)C3)cc2C1=O ZINC000123385779 543759125 /nfs/dbraw/zinc/75/91/25/543759125.db2.gz FNTHRCQUAPTXAL-HIFRSBDPSA-N 1 0 355.438 2.023 20 30 FEEDRO C[NH+](C)CCCC1CCN(CCS(=O)(=O)c2cccc(C#N)c2)CC1 ZINC000123449576 543762675 /nfs/dbraw/zinc/76/26/75/543762675.db2.gz QZUGPYUCZNITCM-UHFFFAOYSA-N 1 0 363.527 2.386 20 30 FEEDRO CN(C(=O)c1ccc(C#N)[nH]1)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000124845016 543846776 /nfs/dbraw/zinc/84/67/76/543846776.db2.gz ACIGBYUFAFEGJN-MOPGFXCFSA-N 1 0 357.502 2.296 20 30 FEEDRO C=CCOc1cc(OC)ccc1C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000125034207 543857367 /nfs/dbraw/zinc/85/73/67/543857367.db2.gz RRLINUSCANODAI-UHFFFAOYSA-N 1 0 361.486 2.017 20 30 FEEDRO C=CCN1C(=O)[C@H](CC(=O)NCCC[NH+](C)C)S/C1=N/c1ccccc1 ZINC000125126329 543862342 /nfs/dbraw/zinc/86/23/42/543862342.db2.gz YXJITURIFKOEHY-YGCDDZCOSA-N 1 0 374.510 2.262 20 30 FEEDRO N#Cc1ccc(Cl)cc1NC(=O)CN1CCCC[C@@H]1[C@H]1CNC(=O)C1 ZINC000125564548 543889424 /nfs/dbraw/zinc/88/94/24/543889424.db2.gz HLNQKGGPVYJBHT-CZUORRHYSA-N 1 0 360.845 2.141 20 30 FEEDRO C[N@H+](CCCc1[nH]nc(N)c1C#N)CC(=O)Nc1ccc(F)c(Cl)c1 ZINC000125447558 543882209 /nfs/dbraw/zinc/88/22/09/543882209.db2.gz YCGSXASCZMYPBI-UHFFFAOYSA-N 1 0 364.812 2.159 20 30 FEEDRO CC(C)[N@H+]1[C@@H]2CC[C@H]1CCN(S(=O)(=O)c1c(F)cc(C#N)cc1F)C2 ZINC000125818808 543903183 /nfs/dbraw/zinc/90/31/83/543903183.db2.gz KMOFJQVOLNLOAN-UONOGXRCSA-N 1 0 369.437 2.472 20 30 FEEDRO COc1cc(C#N)ccc1OCC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000126431657 543935152 /nfs/dbraw/zinc/93/51/52/543935152.db2.gz VMTFVTDKUSDWLX-WMZOPIPTSA-N 1 0 369.465 2.421 20 30 FEEDRO CN1CC[NH+]([C@@H]2CCCCN(C(=O)Nc3ccc(F)cc3C#N)C2)CC1 ZINC000126622671 543947675 /nfs/dbraw/zinc/94/76/75/543947675.db2.gz QPNJRVURBXFZON-QGZVFWFLSA-N 1 0 359.449 2.331 20 30 FEEDRO CC(C)(Oc1ccc(C#N)cc1)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000126653036 543948916 /nfs/dbraw/zinc/94/89/16/543948916.db2.gz UWOGDPKOGQGBSA-SFHVURJKSA-N 1 0 371.481 2.286 20 30 FEEDRO C[C@@](C#N)(NC(=O)CN1CCC(C(=O)c2ccc(O)cc2)CC1)C1CC1 ZINC000127759792 544012172 /nfs/dbraw/zinc/01/21/72/544012172.db2.gz KQJPDSKUCWIGOV-FQEVSTJZSA-N 1 0 355.438 2.095 20 30 FEEDRO C[C@@H]1CCC[N@@H+]1C1CCN(S(=O)(=O)c2ccc(F)cc2C#N)CC1 ZINC000128641186 544064251 /nfs/dbraw/zinc/06/42/51/544064251.db2.gz DLIQSIPRFVSJKN-CYBMUJFWSA-N 1 0 351.447 2.335 20 30 FEEDRO CCCCCCC[N@@H+]1CCc2nn(CC(=O)N3CCCC3)c(=O)cc2C1 ZINC000128644938 544064330 /nfs/dbraw/zinc/06/43/30/544064330.db2.gz YVBKBFYAEOVSHH-UHFFFAOYSA-N 1 0 360.502 2.194 20 30 FEEDRO CCCn1ncc(C(=O)Nc2n[nH]c(CCC[NH2+]C)c2C#N)c1C1CC1 ZINC000130009899 544135288 /nfs/dbraw/zinc/13/52/88/544135288.db2.gz QKQPDYAQQOWLBV-UHFFFAOYSA-N 1 0 355.446 2.170 20 30 FEEDRO C[C@@H]1C[C@@H](NC(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)C[N@@H+]1C1CC1 ZINC000130509275 544154001 /nfs/dbraw/zinc/15/40/01/544154001.db2.gz DFBIPXYTBVWTFG-YVWKXTFCSA-N 1 0 367.497 2.031 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC(N3CCCCC3=O)CC2)CC1 ZINC000132527215 544234169 /nfs/dbraw/zinc/23/41/69/544234169.db2.gz OMFVHHGJYLKXJO-UHFFFAOYSA-N 1 0 362.518 2.213 20 30 FEEDRO Cn1ncc2c1CCC[C@H]2[N@H+](C)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000135611890 544355873 /nfs/dbraw/zinc/35/58/73/544355873.db2.gz JZOISMITCISKMQ-QFBILLFUSA-N 1 0 354.454 2.235 20 30 FEEDRO N#Cc1ccc(NC(=O)C(=O)N2CC[NH+](CC3CCCCC3)CC2)c(F)c1 ZINC000136121502 544367274 /nfs/dbraw/zinc/36/72/74/544367274.db2.gz FGAGKSBMGLERCA-UHFFFAOYSA-N 1 0 372.444 2.360 20 30 FEEDRO C[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)C1CCOCC1 ZINC000151238937 544520236 /nfs/dbraw/zinc/52/02/36/544520236.db2.gz CAYHOMSKKVBHOO-INIZCTEOSA-N 1 0 358.486 2.447 20 30 FEEDRO COCc1nc2n(n1)C[C@@H]([NH2+]Cc1cccc(OCCCC#N)c1)CC2 ZINC000151533398 544553759 /nfs/dbraw/zinc/55/37/59/544553759.db2.gz BZRAJKDOFILWEP-INIZCTEOSA-N 1 0 355.442 2.212 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2CC[C@H](C[NH+]3CCCC3)C2)cc1Cl ZINC000151644605 544565360 /nfs/dbraw/zinc/56/53/60/544565360.db2.gz DPCOEARFSBVLMB-CYBMUJFWSA-N 1 0 353.875 2.318 20 30 FEEDRO Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N(CC[NH+](C)C)C(C)C)C2)n1 ZINC000151948859 544599442 /nfs/dbraw/zinc/59/94/42/544599442.db2.gz VRNLBNXKDATHPC-GOSISDBHSA-N 1 0 357.502 2.277 20 30 FEEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](C)[C@@H]1CN(C)CCO1 ZINC000152506179 544662760 /nfs/dbraw/zinc/66/27/60/544662760.db2.gz OWNLGYKEIXVUOH-YOEHRIQHSA-N 1 0 362.430 2.012 20 30 FEEDRO C[NH+](C)C[C@](C)(O)CNC(=O)c1cccc(COc2cccc(C#N)c2)c1 ZINC000153081475 544731122 /nfs/dbraw/zinc/73/11/22/544731122.db2.gz OXDQFJXMCWLIED-OAQYLSRUSA-N 1 0 367.449 2.180 20 30 FEEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC([N@H+]2CCC[C@H]2C)CC1 ZINC000152901552 544709787 /nfs/dbraw/zinc/70/97/87/544709787.db2.gz RKHUDGYGFWDYMO-CQSZACIVSA-N 1 0 370.497 2.271 20 30 FEEDRO C[C@H]1CCC[N@@H+]1C1CCN(CCS(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000153224326 544748968 /nfs/dbraw/zinc/74/89/68/544748968.db2.gz YURDFHRKSYUNIS-INIZCTEOSA-N 1 0 361.511 2.281 20 30 FEEDRO C[NH+](C)C[C@@](C)(O)CNC(=O)c1cccc(OCc2ccccc2C#N)c1 ZINC000153365910 544766777 /nfs/dbraw/zinc/76/67/77/544766777.db2.gz PDAHKDLPOZLWHN-NRFANRHFSA-N 1 0 367.449 2.180 20 30 FEEDRO COC(=O)c1ccc(F)cc1NC(=O)N(CCC#N)CCC[NH+](C)C ZINC000153696988 544810128 /nfs/dbraw/zinc/81/01/28/544810128.db2.gz JXYFQSBJRBFYFQ-UHFFFAOYSA-N 1 0 350.394 2.312 20 30 FEEDRO Cc1nsc(NCCCC[NH+]2CCN(c3ncccn3)CC2)c1C#N ZINC000553363085 674255552 /nfs/dbraw/zinc/25/55/52/674255552.db2.gz AGJWPOWWLZTMFI-UHFFFAOYSA-N 1 0 357.487 2.128 20 30 FEEDRO Cn1cc([C@H]2NC(=[NH2+])Nc3nc4ccccc4n32)c(-c2ccc(C#N)cc2)n1 ZINC000182064380 327759176 /nfs/dbraw/zinc/75/91/76/327759176.db2.gz FFJZJVFESYDUPN-SFHVURJKSA-N 1 0 368.404 2.405 20 30 FEEDRO C[C@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)[C@H](C(N)=O)C1 ZINC000187371111 328020499 /nfs/dbraw/zinc/02/04/99/328020499.db2.gz LJIMTMYPTHHUJP-WFASDCNBSA-N 1 0 374.510 2.413 20 30 FEEDRO COc1ccc(O)cc1C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000188403588 328084806 /nfs/dbraw/zinc/08/48/06/328084806.db2.gz NOOANLGOWBFMRW-UHFFFAOYSA-N 1 0 353.422 2.476 20 30 FEEDRO Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)Nc2cc(C#N)ccc2C)o1 ZINC000189369440 328143601 /nfs/dbraw/zinc/14/36/01/328143601.db2.gz WHKVMSFXALYTKL-UHFFFAOYSA-N 1 0 368.437 2.297 20 30 FEEDRO CCOC(=O)c1csc(CC[NH2+]Cc2cnc3ccc(C#N)cn23)n1 ZINC000190347738 328201687 /nfs/dbraw/zinc/20/16/87/328201687.db2.gz YZEUIEPPSOSMFH-UHFFFAOYSA-N 1 0 355.423 2.171 20 30 FEEDRO CCOc1ccc(C#N)cc1NC(=O)C(=O)N(C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000190849004 328235995 /nfs/dbraw/zinc/23/59/95/328235995.db2.gz UWCBGEOYWPGVHG-PBHICJAKSA-N 1 0 372.469 2.084 20 30 FEEDRO CCn1nccc1N1CCC[C@H]([NH2+]Cc2ccc(OC)c(C#N)c2)C1=O ZINC000191642757 328275312 /nfs/dbraw/zinc/27/53/12/328275312.db2.gz NDXOCOJQODNJPV-INIZCTEOSA-N 1 0 353.426 2.068 20 30 FEEDRO C[C@@H](CNC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C)[NH+]1CCC(C)CC1 ZINC000192791511 328339850 /nfs/dbraw/zinc/33/98/50/328339850.db2.gz QRGVVXUAMCVOKB-HNNXBMFYSA-N 1 0 373.501 2.290 20 30 FEEDRO CC[NH+](CC)CCNC(=O)c1ccc(OC(=O)c2ccnc(C#N)c2)cc1 ZINC000193581070 328383317 /nfs/dbraw/zinc/38/33/17/328383317.db2.gz XUUWKVHRVBBZFI-UHFFFAOYSA-N 1 0 366.421 2.244 20 30 FEEDRO CC[N@H+](CC(=O)NCCCN1CCCC1=O)[C@@H](C)c1ccc(C#N)cc1 ZINC000193726544 328391994 /nfs/dbraw/zinc/39/19/94/328391994.db2.gz JRQQJXHZEOKVRG-INIZCTEOSA-N 1 0 356.470 2.070 20 30 FEEDRO COCCOc1cccc(CN2CCN(c3ccc(C#N)cn3)CC2)c1 ZINC000193852534 328399073 /nfs/dbraw/zinc/39/90/73/328399073.db2.gz MKULSFGTYCTFRY-UHFFFAOYSA-N 1 0 352.438 2.301 20 30 FEEDRO CC(C)[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)CC(N)=O ZINC000016419673 324386228 /nfs/dbraw/zinc/38/62/28/324386228.db2.gz HBQUOIGJWRHSON-UHFFFAOYSA-N 1 0 362.499 2.413 20 30 FEEDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)C1 ZINC000081364152 325171773 /nfs/dbraw/zinc/17/17/73/325171773.db2.gz ZGXZLYNATRXSDD-OAHLLOKOSA-N 1 0 366.469 2.130 20 30 FEEDRO COc1ccccc1[C@@H](CNC(=O)c1cc(C#N)cn1C)[NH+]1CCCC1 ZINC000081562955 325184559 /nfs/dbraw/zinc/18/45/59/325184559.db2.gz MXDCGCYKCCSAJD-GOSISDBHSA-N 1 0 352.438 2.472 20 30 FEEDRO C[NH+]1CCN(Cc2ccc(CNC(=O)c3cc(C#N)cs3)cc2)CC1 ZINC000084181746 325228506 /nfs/dbraw/zinc/22/85/06/325228506.db2.gz YJWVMQJQVNEASR-UHFFFAOYSA-N 1 0 354.479 2.297 20 30 FEEDRO C[C@H](CNC(=O)C(=O)Nc1cc(C#N)ccc1Cl)[NH+]1CCC(C)CC1 ZINC000088771638 325300706 /nfs/dbraw/zinc/30/07/06/325300706.db2.gz PSMMDYGFHDZNAU-CYBMUJFWSA-N 1 0 362.861 2.387 20 30 FEEDRO C[NH+](C)CCC1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2Cl)CC1 ZINC000088771169 325300955 /nfs/dbraw/zinc/30/09/55/325300955.db2.gz AIRGAPBVPTTXKO-UHFFFAOYSA-N 1 0 362.861 2.340 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc3c(c2O)OC(C)(C)C3)c1C#N ZINC000089673927 325326034 /nfs/dbraw/zinc/32/60/34/325326034.db2.gz WTICYALNRDUBBK-UHFFFAOYSA-N 1 0 369.425 2.105 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@H]2C[C@H]2c2cc(F)ccc2F)c1C#N ZINC000089675025 325326566 /nfs/dbraw/zinc/32/65/66/325326566.db2.gz YYUKHSWZOHMSHS-AAEUAGOBSA-N 1 0 359.380 2.454 20 30 FEEDRO C[NH+](C)C[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000103156425 325508610 /nfs/dbraw/zinc/50/86/10/325508610.db2.gz DFGWZYNINCMUSV-MRXNPFEDSA-N 1 0 361.442 2.149 20 30 FEEDRO N#Cc1ccc(NCC(=O)NCC2([NH+]3CCCCC3)CCOCC2)cc1 ZINC000109981556 325681191 /nfs/dbraw/zinc/68/11/91/325681191.db2.gz WLPZZCADZUMEHC-UHFFFAOYSA-N 1 0 356.470 2.121 20 30 FEEDRO C[NH+](C)Cc1cccc(C(=O)N2CCCN(c3ncccc3C#N)CC2)c1 ZINC000155930438 326811126 /nfs/dbraw/zinc/81/11/26/326811126.db2.gz DHEBWOFIDOGGML-UHFFFAOYSA-N 1 0 363.465 2.367 20 30 FEEDRO N#Cc1cc(N2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)ccc1C(F)(F)F ZINC000167256419 327084477 /nfs/dbraw/zinc/08/44/77/327084477.db2.gz KHOSRZQAHRRFKH-MRXNPFEDSA-N 1 0 366.387 2.496 20 30 FEEDRO CC(C)[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)C(=O)Nc1ccc(F)c(C#N)c1)C2 ZINC000173280022 327246465 /nfs/dbraw/zinc/24/64/65/327246465.db2.gz ZLJLAOSDRWGCNO-JKSUJKDBSA-N 1 0 358.417 2.110 20 30 FEEDRO Cc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173338083 327250567 /nfs/dbraw/zinc/25/05/67/327250567.db2.gz SNCKUZKBSZRJQA-QGZVFWFLSA-N 1 0 354.454 2.140 20 30 FEEDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)C1 ZINC000173650191 327273627 /nfs/dbraw/zinc/27/36/27/327273627.db2.gz JNGWGMGRVJEFNX-ZDUSSCGKSA-N 1 0 362.861 2.340 20 30 FEEDRO C[NH+]1CCN(CCOc2ccc(NC(=O)c3cccc(C#N)c3)cc2)CC1 ZINC000174043966 327303428 /nfs/dbraw/zinc/30/34/28/327303428.db2.gz KWPBDBDNODPIKK-UHFFFAOYSA-N 1 0 364.449 2.437 20 30 FEEDRO Cc1cccc(NC(=O)C(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1C#N ZINC000174636062 327340381 /nfs/dbraw/zinc/34/03/81/327340381.db2.gz ROMDIVFRHJYXJD-HUUCEWRRSA-N 1 0 356.470 2.289 20 30 FEEDRO Cc1c(C#N)cccc1NC(=O)C(=O)N[C@H](C)C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000178450465 327585632 /nfs/dbraw/zinc/58/56/32/327585632.db2.gz NOBDQAGVHCZVDC-SOUVJXGZSA-N 1 0 356.470 2.288 20 30 FEEDRO CC(C)CCC(=O)NCC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000264100640 328991724 /nfs/dbraw/zinc/99/17/24/328991724.db2.gz BTDPHAKCQBPITP-UHFFFAOYSA-N 1 0 358.486 2.001 20 30 FEEDRO COc1ccc(C[NH2+][C@@H](C)CN2CCN(c3ccccn3)CC2)cc1C#N ZINC000266169334 329196806 /nfs/dbraw/zinc/19/68/06/329196806.db2.gz QNDIYMQUCHXCTL-KRWDZBQOSA-N 1 0 365.481 2.262 20 30 FEEDRO Cc1cccc(NC(=O)C(=O)N2CCC([NH+]3CCCCC3)CC2)c1C#N ZINC000266577516 329238058 /nfs/dbraw/zinc/23/80/58/329238058.db2.gz SPXJPYBRHSDJNH-UHFFFAOYSA-N 1 0 354.454 2.282 20 30 FEEDRO CC(C)N1CC[C@@H]([NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)C1=O ZINC000267008477 329282757 /nfs/dbraw/zinc/28/27/57/329282757.db2.gz LKUDEMLLWGSEBD-GOSISDBHSA-N 1 0 354.454 2.218 20 30 FEEDRO CN(C)c1ncc(CNC(=O)NCCSCc2ccccc2C#N)n1C ZINC000267625043 329344478 /nfs/dbraw/zinc/34/44/78/329344478.db2.gz OXWMJGGPSQVDDJ-UHFFFAOYSA-N 1 0 372.498 2.090 20 30 FEEDRO CCOc1ccc(C#N)cc1NC(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000269228626 329498444 /nfs/dbraw/zinc/49/84/44/329498444.db2.gz XGSNNDIRSZALKB-ZWKOTPCHSA-N 1 0 372.469 2.456 20 30 FEEDRO C[C@@H](CN1CCN(c2ccccn2)CC1)[NH2+]Cc1ccc(C#N)cc1F ZINC000269439180 329520279 /nfs/dbraw/zinc/52/02/79/329520279.db2.gz SDLQTAUMMHOEDK-INIZCTEOSA-N 1 0 353.445 2.393 20 30 FEEDRO C[NH+](C)[C@@H]1CCN(c2ccc(NC(=O)COc3ccccc3C#N)nc2)C1 ZINC000269455519 329521766 /nfs/dbraw/zinc/52/17/66/329521766.db2.gz UZGLGJREDGGKQI-QGZVFWFLSA-N 1 0 365.437 2.111 20 30 FEEDRO COCCn1cc(C[NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)cn1 ZINC000271087312 329660851 /nfs/dbraw/zinc/66/08/51/329660851.db2.gz PMMSIWHTZZBTRA-UHFFFAOYSA-N 1 0 355.442 2.276 20 30 FEEDRO CC(=O)Nc1cccc([C@H](C)[NH2+]CC(=O)NCc2ccc(C#N)cc2)c1 ZINC000271829361 329728972 /nfs/dbraw/zinc/72/89/72/329728972.db2.gz WRHAONRPJJCOIG-AWEZNQCLSA-N 1 0 350.422 2.484 20 30 FEEDRO C[C@@]1([NH2+]CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CCO[C@@H]1C1CC1 ZINC000273007846 329829651 /nfs/dbraw/zinc/82/96/51/329829651.db2.gz BKWVOFHEESNCLC-UYAOXDASSA-N 1 0 365.437 2.230 20 30 FEEDRO CCCN(CCC[NH+](C)C)C(=O)C(=O)Nc1cc(C#N)ccc1Cl ZINC000276285576 330137163 /nfs/dbraw/zinc/13/71/63/330137163.db2.gz QQJBWDJYOPVGSJ-UHFFFAOYSA-N 1 0 350.850 2.340 20 30 FEEDRO Cc1nc(C#N)c(N2CCC(C(=O)NCC3([NH+](C)C)CCCC3)CC2)o1 ZINC000276384398 330147282 /nfs/dbraw/zinc/14/72/82/330147282.db2.gz DZLIYPIEHQJKLQ-UHFFFAOYSA-N 1 0 359.474 2.062 20 30 FEEDRO COc1cc(C[NH+]2CCC(C(=O)N3C[C@@H](C)O[C@@H](C)C3)CC2)ccc1C#N ZINC000367031128 330209248 /nfs/dbraw/zinc/20/92/48/330209248.db2.gz SDVNZZIBFZXOIB-IYBDPMFKSA-N 1 0 371.481 2.415 20 30 FEEDRO CN(C)C(=O)[C@H]1CC[C@H](C[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)O1 ZINC000554972488 674344042 /nfs/dbraw/zinc/34/40/42/674344042.db2.gz MWGFRGMBHSIWGM-UKRRQHHQSA-N 1 0 355.360 2.302 20 30 FEEDRO C[C@H](C(=O)Nc1ncccn1)N(C)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC000328636924 526196343 /nfs/dbraw/zinc/19/63/43/526196343.db2.gz OIWDXMRXCASHBO-HLLBOEOZSA-N 1 0 371.489 2.202 20 30 FEEDRO N#Cc1ccc(NCC(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)nc1 ZINC000498076903 538806737 /nfs/dbraw/zinc/80/67/37/538806737.db2.gz VRTXNBMNDIJHCO-MRXNPFEDSA-N 1 0 353.426 2.302 20 30 FEEDRO CC(=O)N1CC[C@@H](C[N@@H+](C)[C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1 ZINC000156708895 545650605 /nfs/dbraw/zinc/65/06/05/545650605.db2.gz BFGJKFOJBHHBGL-OUBFZGACSA-N 1 0 362.518 2.106 20 30 FEEDRO C=CCNC(=O)NC(=O)C[NH2+]C1(c2ccc(Br)cc2)CC1 ZINC000477389798 561143809 /nfs/dbraw/zinc/14/38/09/561143809.db2.gz GZRRJWBNMWUGDU-UHFFFAOYSA-N 1 0 352.232 2.040 20 30 FEEDRO COc1cc2c(cc1CN[C@H](C(N)=O)c1ccc(C#N)cc1)O[C@H](C)C2 ZINC000158882650 545902519 /nfs/dbraw/zinc/90/25/19/545902519.db2.gz NRJWYERWDROVBS-BLVKFPJESA-N 1 0 351.406 2.206 20 30 FEEDRO C=CCOc1cccc(NC(=O)C(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)c1 ZINC000159422959 545951998 /nfs/dbraw/zinc/95/19/98/545951998.db2.gz MPQORFOABBVLMG-MRXNPFEDSA-N 1 0 359.470 2.284 20 30 FEEDRO CC[NH+]=C(NCc1ccnc(OC)c1)N1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000160103310 546007474 /nfs/dbraw/zinc/00/74/74/546007474.db2.gz IHEJCEIECQRMQY-RDJZCZTQSA-N 1 0 356.474 2.335 20 30 FEEDRO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1ccc(OC(C)C)c(C#N)c1 ZINC000161259238 546113565 /nfs/dbraw/zinc/11/35/65/546113565.db2.gz SUAUPGXVLBHYNG-CQSZACIVSA-N 1 0 360.458 2.130 20 30 FEEDRO N#CCc1ccc(OC[C@H](O)CN2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000163914506 546147455 /nfs/dbraw/zinc/14/74/55/546147455.db2.gz CJXYUTYGABSNCM-HXUWFJFHSA-N 1 0 357.498 2.443 20 30 FEEDRO COc1ccccc1CNC(=[NH2+])NCc1ccc(-n2nc(C)cc2C)nc1 ZINC000170912521 546182924 /nfs/dbraw/zinc/18/29/24/546182924.db2.gz HLGNPKWOXXUXFG-UHFFFAOYSA-N 1 0 364.453 2.497 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Cn1cc2ccccc2n1 ZINC000479239589 561185739 /nfs/dbraw/zinc/18/57/39/561185739.db2.gz GFUMZOHTHITBRW-UHFFFAOYSA-N 1 0 361.449 2.498 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)NCCc2ccc(C(=O)OC)cc2)CC1 ZINC000171552763 546213568 /nfs/dbraw/zinc/21/35/68/546213568.db2.gz RYNBIMVQIMVNDO-UHFFFAOYSA-N 1 0 359.470 2.355 20 30 FEEDRO C[NH+]=C(NCC(=O)Nc1ccc(F)c(F)c1F)NCc1nc(C)cs1 ZINC000171625617 546216461 /nfs/dbraw/zinc/21/64/61/546216461.db2.gz UKMYOHRAAQABIE-UHFFFAOYSA-N 1 0 371.388 2.173 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000171640559 546217833 /nfs/dbraw/zinc/21/78/33/546217833.db2.gz OEXSBXVYZUVZIE-UHFFFAOYSA-N 1 0 362.449 2.434 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)c2cccc(NC(=O)[C@H]3CCCO3)c2)CC1 ZINC000171719888 546220975 /nfs/dbraw/zinc/22/09/75/546220975.db2.gz NSVYUXKPTGOGKF-GOSISDBHSA-N 1 0 357.454 2.184 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)CCc2c(C)nc3cc(C)nn3c2C)CC1 ZINC000171722647 546221868 /nfs/dbraw/zinc/22/18/68/546221868.db2.gz UQNHPLJRCWNDNN-UHFFFAOYSA-N 1 0 355.486 2.354 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N2CCN(c3ccc(Cl)cn3)CC2)CC1 ZINC000171741104 546222870 /nfs/dbraw/zinc/22/28/70/546222870.db2.gz BPFYEDVWGIZMNQ-UHFFFAOYSA-N 1 0 363.893 2.217 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1ccc(-n2cnnn2)cc1)C(C)C ZINC000171980517 546232331 /nfs/dbraw/zinc/23/23/31/546232331.db2.gz IGVRUQSEASWCFO-GOSISDBHSA-N 1 0 354.458 2.091 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 ZINC000173271236 546277185 /nfs/dbraw/zinc/27/71/85/546277185.db2.gz VVSSAADWCAZELM-UHFFFAOYSA-N 1 0 371.359 2.290 20 30 FEEDRO C=CCc1cc(C[NH2+]CCN2C(=O)NC3(CCCC3)C2=O)cc(OC)c1O ZINC000479606983 561193203 /nfs/dbraw/zinc/19/32/03/561193203.db2.gz BCQHFSZDMOCWAE-UHFFFAOYSA-N 1 0 373.453 2.084 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C2CCN(C(=O)c3ccccn3)CC2)CC1 ZINC000173579950 546283581 /nfs/dbraw/zinc/28/35/81/546283581.db2.gz OWQDYHJRNJBUKT-UHFFFAOYSA-N 1 0 370.497 2.091 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N2CCCC[C@H]2CNC(=O)c2ccccc2)CC1 ZINC000173639988 546284769 /nfs/dbraw/zinc/28/47/69/546284769.db2.gz UXUHDVBYTTYIAZ-FQEVSTJZSA-N 1 0 367.493 2.143 20 30 FEEDRO CN(CCC#N)c1ccc(C[NH2+][C@H]2CCCN(c3ccn(C)n3)C2=O)cc1 ZINC000174588001 546299861 /nfs/dbraw/zinc/29/98/61/546299861.db2.gz MGNPFWHQCPTKTN-SFHVURJKSA-N 1 0 366.469 2.055 20 30 FEEDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)C1 ZINC000176590970 546465340 /nfs/dbraw/zinc/46/53/40/546465340.db2.gz RMUYAMASGBLLGW-XUVXKRRUSA-N 1 0 369.513 2.279 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N[C@H]2CCN(c3ncccc3Cl)C2)CC1 ZINC000176598861 546466224 /nfs/dbraw/zinc/46/62/24/546466224.db2.gz MKAIWNYZKGHIEA-HNNXBMFYSA-N 1 0 363.893 2.263 20 30 FEEDRO C[C@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)c1ccc2c(c1)OCO2 ZINC000176883951 546499823 /nfs/dbraw/zinc/49/98/23/546499823.db2.gz RISSBVWTNJPMHQ-ZDUSSCGKSA-N 1 0 358.419 2.411 20 30 FEEDRO N#Cc1cccnc1N1CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000177622019 546654965 /nfs/dbraw/zinc/65/49/65/546654965.db2.gz LVFHZRRIBBQAFA-GOSISDBHSA-N 1 0 367.497 2.256 20 30 FEEDRO C[N@H+](CCNS(=O)(=O)Cc1ccc(C#N)cc1F)C1CCCCC1 ZINC000481015951 561223000 /nfs/dbraw/zinc/22/30/00/561223000.db2.gz AWFYNXKTYXECHT-UHFFFAOYSA-N 1 0 353.463 2.381 20 30 FEEDRO C[N@@H+]1CCC[C@@H]2CN(S(=O)(=O)c3cc(C#N)ccc3Cl)CC[C@@H]21 ZINC000178002986 546721365 /nfs/dbraw/zinc/72/13/65/546721365.db2.gz WLEMFKHXKURYDG-HIFRSBDPSA-N 1 0 353.875 2.316 20 30 FEEDRO N#Cc1ccc(N2CCN(C(=O)[C@@H]3CC[N@@H+](C4CCCCC4)C3)CC2)nc1 ZINC000178145605 546747234 /nfs/dbraw/zinc/74/72/34/546747234.db2.gz GJAMKPSTKVEAAP-GOSISDBHSA-N 1 0 367.497 2.256 20 30 FEEDRO Cc1c(C#N)cccc1NC(=O)C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000178407382 546788635 /nfs/dbraw/zinc/78/86/35/546788635.db2.gz SNZAPPKABJBWME-GOSISDBHSA-N 1 0 350.422 2.224 20 30 FEEDRO C=CCN(Cc1ccc(C(=O)OC(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000179236533 546918392 /nfs/dbraw/zinc/91/83/92/546918392.db2.gz SOLXYHDUNPWJKL-QGZVFWFLSA-N 1 0 351.468 2.427 20 30 FEEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)/C=C/c3cncc(O)c3)CC2)cc1 ZINC000179401305 546946223 /nfs/dbraw/zinc/94/62/23/546946223.db2.gz MERAMINDZXANAL-VOTSOKGWSA-N 1 0 362.433 2.407 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cn(-c3ccc(F)cc3C)nn2)CC1 ZINC000179481437 546963663 /nfs/dbraw/zinc/96/36/63/546963663.db2.gz OPOAWPJMKYTGPI-UHFFFAOYSA-N 1 0 357.433 2.485 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@H](CCCO)c2ccccc2)cc1 ZINC000179732159 547005748 /nfs/dbraw/zinc/00/57/48/547005748.db2.gz BGMWKEDHIBQPRU-LJQANCHMSA-N 1 0 358.463 2.435 20 30 FEEDRO C[N@@H+]1CCC[C@@H]2CN(S(=O)(=O)c3ccc(C#N)cc3Cl)CC[C@@H]21 ZINC000180161118 547060727 /nfs/dbraw/zinc/06/07/27/547060727.db2.gz XVVRFHSNCOLVCE-HIFRSBDPSA-N 1 0 353.875 2.316 20 30 FEEDRO Cn1cc(C[N@@H+]2CC[C@](O)(C(F)(F)F)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180192892 547065267 /nfs/dbraw/zinc/06/52/67/547065267.db2.gz SILPMEPEIFVNEB-MRXNPFEDSA-N 1 0 350.344 2.458 20 30 FEEDRO N#Cc1cccc(S(=O)(=O)NCC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000180199453 547067144 /nfs/dbraw/zinc/06/71/44/547067144.db2.gz URVIPRNIVBGZME-UHFFFAOYSA-N 1 0 356.451 2.148 20 30 FEEDRO C=CCNC(=O)CNC(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000180394303 547098534 /nfs/dbraw/zinc/09/85/34/547098534.db2.gz ZNMKXAGQQUTPMT-INIZCTEOSA-N 1 0 358.486 2.251 20 30 FEEDRO C[C@H](NC(=O)C(=O)Nc1ccc(F)c(C#N)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000180414770 547105200 /nfs/dbraw/zinc/10/52/00/547105200.db2.gz UUMMTTZARKIJRD-KBPBESRZSA-N 1 0 372.444 2.405 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)NC[C@@H]2COC3(CCC(C)CC3)O2)CC1 ZINC000180690243 547159216 /nfs/dbraw/zinc/15/92/16/547159216.db2.gz YROZLDRUDVNAIC-URSIVYNOSA-N 1 0 351.491 2.258 20 30 FEEDRO C[C@H](NC(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1)c1ccc(C#N)cc1 ZINC000482842244 561261101 /nfs/dbraw/zinc/26/11/01/561261101.db2.gz PQVXHPNNLMGEJA-FUHIMQAGSA-N 1 0 369.513 2.287 20 30 FEEDRO C=CCc1ccccc1OC[C@H](O)C[N@H+]1C[C@H](CC)O[C@@]2(CCOC2)C1 ZINC000483148903 561268914 /nfs/dbraw/zinc/26/89/14/561268914.db2.gz DOWQYINOUBPPMT-DYXWJJEUSA-N 1 0 361.482 2.425 20 30 FEEDRO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000181275446 547283913 /nfs/dbraw/zinc/28/39/13/547283913.db2.gz XYYHEEWBTRHZFQ-CABCVRRESA-N 1 0 358.442 2.302 20 30 FEEDRO C=CCn1c(SCCC[NH+]2CCN(C)CC2)nc2sccc2c1=O ZINC000181306373 547290556 /nfs/dbraw/zinc/29/05/56/547290556.db2.gz AXLBQHLXSDMXQP-UHFFFAOYSA-N 1 0 364.540 2.374 20 30 FEEDRO C=CCc1ccccc1OC[C@H](O)C[N@H+]1C[C@H](C)O[C@@]2(CCCOC2)C1 ZINC000483369674 561275108 /nfs/dbraw/zinc/27/51/08/561275108.db2.gz DWBWIURBXNSWTN-DSKINZAPSA-N 1 0 361.482 2.425 20 30 FEEDRO CCOc1ccc(C#N)cc1NC(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000181762561 547375823 /nfs/dbraw/zinc/37/58/23/547375823.db2.gz BWPNIKICVCDMMC-UHFFFAOYSA-N 1 0 360.458 2.267 20 30 FEEDRO C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000181809333 547385157 /nfs/dbraw/zinc/38/51/57/547385157.db2.gz SSYPCPHMWLJJPL-WMLDXEAASA-N 1 0 374.485 2.399 20 30 FEEDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2ccccc2O[C@@H](C)C#N)C1 ZINC000181824632 547387262 /nfs/dbraw/zinc/38/72/62/547387262.db2.gz VGHIJYJVPKZKQU-HOTGVXAUSA-N 1 0 372.469 2.153 20 30 FEEDRO N#CCCN(C(=O)C[NH2+][C@@H](CC(N)=O)C1CCCCC1)c1ccccc1 ZINC000182044104 547428110 /nfs/dbraw/zinc/42/81/10/547428110.db2.gz GIACLFKBZXWSAM-SFHVURJKSA-N 1 0 356.470 2.347 20 30 FEEDRO CC1(C)[C@@H]([NH2+]CCNC(=O)C2N=CC=CC2=O)C[C@@H]1OCc1ccccc1 ZINC000182363021 547480023 /nfs/dbraw/zinc/48/00/23/547480023.db2.gz SYSGKVAMMKKQCN-KECLDWJTSA-N 1 0 369.465 2.486 20 30 FEEDRO N#C[C@@H](c1cccs1)N1CCN(C(=O)C[N@@H+]2C[C@@H]3CCC[C@@H]3C2)CC1 ZINC000183186096 547618036 /nfs/dbraw/zinc/61/80/36/547618036.db2.gz UHVUIRRNVBRNGH-BBWFWOEESA-N 1 0 358.511 2.189 20 30 FEEDRO CCOc1ccc(C#N)cc1NC(=O)NC(C)(C)CC[NH+]1CCN(C)CC1 ZINC000184220355 547790437 /nfs/dbraw/zinc/79/04/37/547790437.db2.gz MRKJQDHCXWUITM-UHFFFAOYSA-N 1 0 373.501 2.495 20 30 FEEDRO C=CCOc1cc(OC)ccc1C(=O)N[C@H](C)CC[NH+]1CCN(C)CC1 ZINC000184414250 547822916 /nfs/dbraw/zinc/82/29/16/547822916.db2.gz LMFCPMWIMOEKOE-MRXNPFEDSA-N 1 0 361.486 2.016 20 30 FEEDRO N#Cc1c(NC(=O)C[NH2+][C@@H]2CCCC[C@H]2C(N)=O)sc2c1CCCCC2 ZINC000184817313 547882476 /nfs/dbraw/zinc/88/24/76/547882476.db2.gz VNSIWKDJKXMTLU-UKRRQHHQSA-N 1 0 374.510 2.461 20 30 FEEDRO N#Cc1c(NC(=O)C[NH2+][C@H]2CCCC[C@@H]2C(N)=O)sc2c1CCCCC2 ZINC000184817293 547882505 /nfs/dbraw/zinc/88/25/05/547882505.db2.gz VNSIWKDJKXMTLU-ZFWWWQNUSA-N 1 0 374.510 2.461 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cc(F)c(SC)c(F)c2)CC1 ZINC000184891358 547894640 /nfs/dbraw/zinc/89/46/40/547894640.db2.gz MSRYIVDXVAZYBB-UHFFFAOYSA-N 1 0 369.437 2.392 20 30 FEEDRO C#CCOc1ccccc1C[NH2+]Cc1cnc(N2CCOCC2)c(F)c1 ZINC000185077602 547928501 /nfs/dbraw/zinc/92/85/01/547928501.db2.gz JVNISHMKWIBCHF-UHFFFAOYSA-N 1 0 355.413 2.359 20 30 FEEDRO CCOC(=O)CC[N@@H+](Cc1cccnc1)C[C@H](O)c1ccc(C#N)cc1 ZINC000185243223 547958321 /nfs/dbraw/zinc/95/83/21/547958321.db2.gz OAMIBTZBNRWWKN-IBGZPJMESA-N 1 0 353.422 2.442 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H](OCC)[C@H]2Oc2ccccc2)CC1 ZINC000186369634 548125930 /nfs/dbraw/zinc/12/59/30/548125930.db2.gz BOQAZFAQSKFDCC-AABGKKOBSA-N 1 0 356.466 2.073 20 30 FEEDRO CN1CC[NH+](CC2CCN(C(=O)C3(c4ccc(C#N)cc4)CC3)CC2)CC1 ZINC000186801018 548196808 /nfs/dbraw/zinc/19/68/08/548196808.db2.gz CTLMECDGGAMNKY-UHFFFAOYSA-N 1 0 366.509 2.076 20 30 FEEDRO COc1ccc(CNC(=[NH2+])NCC[C@@](C)(O)c2ccccc2)cc1OC ZINC000186890245 548213281 /nfs/dbraw/zinc/21/32/81/548213281.db2.gz BWUKRQLQAICOGA-HXUWFJFHSA-N 1 0 357.454 2.406 20 30 FEEDRO CCOCCC[N@@H+]1CC[C@H](N[C@H](C(=O)OC)c2cccc(C#N)c2)[C@H](C)C1 ZINC000187018262 548242151 /nfs/dbraw/zinc/24/21/51/548242151.db2.gz OFMKHPYOZUMOPA-UXPWSPDFSA-N 1 0 373.497 2.499 20 30 FEEDRO C=C(C)CN(CC)C(=O)C(=O)Nc1ccc(C)c(NC(=O)CC[NH+](C)C)c1 ZINC000187443306 548257871 /nfs/dbraw/zinc/25/78/71/548257871.db2.gz WTFTUYOKIOTIRA-UHFFFAOYSA-N 1 0 374.485 2.248 20 30 FEEDRO C=CC[C@H](C(=O)N1CCC(C(=O)NCC[NH+](C)C)CC1)c1ccccc1 ZINC000189499890 548302985 /nfs/dbraw/zinc/30/29/85/548302985.db2.gz LLXLEWUCQKZLAG-IBGZPJMESA-N 1 0 357.498 2.263 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)NC[C@](C)(C(=O)OC)c2ccccc2)CC1 ZINC000189687474 548308282 /nfs/dbraw/zinc/30/82/82/548308282.db2.gz SAFKJUNUAIYADC-FQEVSTJZSA-N 1 0 359.470 2.067 20 30 FEEDRO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000192126959 548359043 /nfs/dbraw/zinc/35/90/43/548359043.db2.gz NJQFIVQQADGITH-BJOOFOGMSA-N 1 0 351.397 2.393 20 30 FEEDRO C=CCN(CC=C)C(=O)C[NH2+][C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1 ZINC000192156770 548359633 /nfs/dbraw/zinc/35/96/33/548359633.db2.gz UNBBISJWWUNFQT-VQIMIIECSA-N 1 0 361.873 2.402 20 30 FEEDRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CNc2ccc(C#N)cc2Cl)C1 ZINC000486548680 561350364 /nfs/dbraw/zinc/35/03/64/561350364.db2.gz KLQHUKGCBJWPQD-HNNXBMFYSA-N 1 0 364.877 2.097 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cc(N3C[C@H](C)O[C@@H](C)C3)ccn2)CC1 ZINC000194608654 548505167 /nfs/dbraw/zinc/50/51/67/548505167.db2.gz PVGOFUYTRUIBCZ-IRXDYDNUSA-N 1 0 372.513 2.466 20 30 FEEDRO C[C@@H]([NH3+])[C@@H]1CCCCN1S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000237398381 548823330 /nfs/dbraw/zinc/82/33/30/548823330.db2.gz WTJJMOFCAHSEMN-YGRLFVJLSA-N 1 0 372.288 2.211 20 30 FEEDRO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCC[C@@H](CCC(N)=O)C1 ZINC000245397376 548907209 /nfs/dbraw/zinc/90/72/09/548907209.db2.gz PBPZOYVRZZCCAI-SJORKVTESA-N 1 0 356.470 2.299 20 30 FEEDRO N#Cc1ccc(CC(=O)N[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2CO)cc1 ZINC000245570505 548948549 /nfs/dbraw/zinc/94/85/49/548948549.db2.gz ANQPKXGONPBXGC-RTWAWAEBSA-N 1 0 363.461 2.100 20 30 FEEDRO CN(C(=O)CSCC#N)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000245715797 548981304 /nfs/dbraw/zinc/98/13/04/548981304.db2.gz OOSKEMYMULGFSV-IAGOWNOFSA-N 1 0 352.548 2.039 20 30 FEEDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1cc(C#N)ccc1Cl ZINC000246172961 549069030 /nfs/dbraw/zinc/06/90/30/549069030.db2.gz FUGRKASNJJSLIM-OLZOCXBDSA-N 1 0 362.861 2.387 20 30 FEEDRO COc1ccc([C@@H](C)[N@H+](C)CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)cc1 ZINC000246203350 549077160 /nfs/dbraw/zinc/07/71/60/549077160.db2.gz YAMZDMFNPBOUGR-XLIONFOSSA-N 1 0 372.513 2.380 20 30 FEEDRO CN(C(=O)C[N@@H+]1CC[C@@H]2[C@@H](CCC(=O)N2C2CC2)C1)C1(C#N)CCCCC1 ZINC000246202622 549077232 /nfs/dbraw/zinc/07/72/32/549077232.db2.gz BFSUZXKSZBMKDY-FUHWJXTLSA-N 1 0 372.513 2.147 20 30 FEEDRO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N1CC[C@@H](C[NH+](C)C)C1 ZINC000246396181 549123932 /nfs/dbraw/zinc/12/39/32/549123932.db2.gz PTPZKVURBXKDDB-SJORKVTESA-N 1 0 358.486 2.214 20 30 FEEDRO CC(=O)N1CC[C@H](C[N@@H+](C)[C@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000246555142 549161547 /nfs/dbraw/zinc/16/15/47/549161547.db2.gz LMNZPGRKTAQYAH-SJLPKXTDSA-N 1 0 356.470 2.122 20 30 FEEDRO Cc1sc(NC(=O)CN2CCS[C@@H]3COCC[C@H]32)c(C#N)c1C ZINC000246760563 549206791 /nfs/dbraw/zinc/20/67/91/549206791.db2.gz HRLPHQYCFYNVFF-ZIAGYGMSSA-N 1 0 351.497 2.381 20 30 FEEDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)Nc3ccc(Cl)c(C#N)c3)CC[C@H]21 ZINC000247171185 549293966 /nfs/dbraw/zinc/29/39/66/549293966.db2.gz SOPPKQYNQGPRJN-MLGOLLRUSA-N 1 0 360.845 2.093 20 30 FEEDRO C=C[C@H]1CCCC[N@@H+]1CC(=O)N1CCN(Cc2ccc3c(c2)CCO3)CC1 ZINC000489444252 561411401 /nfs/dbraw/zinc/41/14/01/561411401.db2.gz WDXSDQIYUXLVNA-FQEVSTJZSA-N 1 0 369.509 2.306 20 30 FEEDRO CN1C(=O)C[C@H]([NH2+]CC(=O)N[C@](C)(C#N)C2CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000248983159 549535317 /nfs/dbraw/zinc/53/53/17/549535317.db2.gz FXATZRSYAXLBDV-ZYSHUDEJSA-N 1 0 374.872 2.010 20 30 FEEDRO CC(C)Oc1ccc(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)cc1C#N ZINC000249170674 549564676 /nfs/dbraw/zinc/56/46/76/549564676.db2.gz LFGVRBJVFQDEAE-RHSMWYFYSA-N 1 0 372.469 2.083 20 30 FEEDRO CCOc1ccc(C#N)cc1NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000249225192 549570824 /nfs/dbraw/zinc/57/08/24/549570824.db2.gz UWCBGEOYWPGVHG-WMLDXEAASA-N 1 0 372.469 2.084 20 30 FEEDRO CCOCCC[N@@H+]1CC[C@H](NCC(=O)Nc2sccc2C#N)[C@@H](C)C1 ZINC000249422644 549589786 /nfs/dbraw/zinc/58/97/86/549589786.db2.gz HVWQNZXMCKZOBE-HOCLYGCPSA-N 1 0 364.515 2.285 20 30 FEEDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1 ZINC000249982120 549635642 /nfs/dbraw/zinc/63/56/42/549635642.db2.gz AXSNUUOWUWEMIM-OLZOCXBDSA-N 1 0 362.861 2.387 20 30 FEEDRO C[NH+]=C(NC[C@@H]1CCc2nnc(C)n2C1)N[C@@H](C)Cc1ccc(C)s1 ZINC000261836182 549760516 /nfs/dbraw/zinc/76/05/16/549760516.db2.gz WBLKVRMOTYIBJH-WFASDCNBSA-N 1 0 360.531 2.315 20 30 FEEDRO C[NH+]=C(NCC1(SC)CCOCC1)N1CCN(c2cccs2)CC1 ZINC000261856407 549762619 /nfs/dbraw/zinc/76/26/19/549762619.db2.gz YTPYEWYNZRBZID-UHFFFAOYSA-N 1 0 368.572 2.358 20 30 FEEDRO C/[NH+]=C(/NCc1cn2ccsc2n1)N1CCN([C@@H](C)C(F)(F)F)CC1 ZINC000261925769 549770390 /nfs/dbraw/zinc/77/03/90/549770390.db2.gz VSGGEGOSFXTMGF-NSHDSACASA-N 1 0 374.436 2.040 20 30 FEEDRO C[NH+]=C(NCc1coc(-c2cccs2)n1)N1CCC(C(=O)OC)CC1 ZINC000262576014 549829520 /nfs/dbraw/zinc/82/95/20/549829520.db2.gz OHXQLZASKPBBOT-UHFFFAOYSA-N 1 0 362.455 2.364 20 30 FEEDRO C[C@H](C(=O)N(C)CCC#N)[NH+]1CCC(C(=O)Nc2cccc(F)c2)CC1 ZINC000263707696 549923296 /nfs/dbraw/zinc/92/32/96/549923296.db2.gz MORXCGVZHVTJTK-CQSZACIVSA-N 1 0 360.433 2.237 20 30 FEEDRO C=CCOc1ccc(/C=C/C(=O)NC[C@@H](C)N2CC[NH+](C)CC2)cc1OC ZINC000263730610 549927777 /nfs/dbraw/zinc/92/77/77/549927777.db2.gz GZCCGVUYINUXGN-UGAXZCSASA-N 1 0 373.497 2.025 20 30 FEEDRO CCCCCCCCNC(=[NH2+])NCc1ccc(OCC(N)=O)c(OC)c1 ZINC000264086288 549977331 /nfs/dbraw/zinc/97/73/31/549977331.db2.gz JKZSJMDLCZVYKP-UHFFFAOYSA-N 1 0 364.490 2.324 20 30 FEEDRO COc1cc(CNC(=[NH2+])Nc2ccc(C)c(C)c2)ccc1OCC(N)=O ZINC000264101251 549979132 /nfs/dbraw/zinc/97/91/32/549979132.db2.gz NZFYELZQFUBWID-UHFFFAOYSA-N 1 0 356.426 2.103 20 30 FEEDRO C=CCN(CC=C)C(=O)C[N@H+]1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000264181518 549988495 /nfs/dbraw/zinc/98/84/95/549988495.db2.gz KNFMGWQMOURQGH-MRXNPFEDSA-N 1 0 351.491 2.376 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)NCCNC(=O)c2ccccc2Cl)CC1 ZINC000264452341 549995716 /nfs/dbraw/zinc/99/57/16/549995716.db2.gz ZALJTNYGSGGCJN-UHFFFAOYSA-N 1 0 364.877 2.019 20 30 FEEDRO CC[NH+]1CCN(c2ccc(NC(=O)C3(C#N)CCOCC3)c(C)c2)CC1 ZINC000264536225 549998076 /nfs/dbraw/zinc/99/80/76/549998076.db2.gz OICSMFXMCIPMIP-UHFFFAOYSA-N 1 0 356.470 2.396 20 30 FEEDRO CCCC[N@H+](C)CCNC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000491028756 561442078 /nfs/dbraw/zinc/44/20/78/561442078.db2.gz GCAUWBPDNRYMPZ-UHFFFAOYSA-N 1 0 357.502 2.117 20 30 FEEDRO N#CCN1CCC[C@H](CNC(=O)C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000266064435 550016619 /nfs/dbraw/zinc/01/66/19/550016619.db2.gz HAWCBBNNKPEBAL-LJQANCHMSA-N 1 0 354.498 2.250 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+]C1CCN(CCOC)CC1 ZINC000266064592 550016781 /nfs/dbraw/zinc/01/67/81/550016781.db2.gz BMIPOOBXHHOIDZ-INIZCTEOSA-N 1 0 365.543 2.352 20 30 FEEDRO C[NH+]=C(NCc1ccco1)NC[C@H](c1ccc(C)s1)N1CCOCC1 ZINC000267173765 550028301 /nfs/dbraw/zinc/02/83/01/550028301.db2.gz VIQDSSADVQYKDY-MRXNPFEDSA-N 1 0 362.499 2.388 20 30 FEEDRO CCOC(=O)N1CCC(NC(=[NH2+])NC[C@H](c2cccnc2)C(C)C)CC1 ZINC000267542598 550032893 /nfs/dbraw/zinc/03/28/93/550032893.db2.gz CFLKCKFYRCSNCQ-KRWDZBQOSA-N 1 0 361.490 2.346 20 30 FEEDRO N#Cc1cccnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000269659810 550214818 /nfs/dbraw/zinc/21/48/18/550214818.db2.gz XGNHURSFTFBAAU-GOSISDBHSA-N 1 0 353.470 2.009 20 30 FEEDRO C=CCC[C@@H]([NH2+]Cc1ccccc1S(=O)(=O)N(C)CCO)C1CC1 ZINC000271464757 550377395 /nfs/dbraw/zinc/37/73/95/550377395.db2.gz KUUWLQNGCYCXNJ-QGZVFWFLSA-N 1 0 352.500 2.134 20 30 FEEDRO COc1cc([C@H](C)[NH2+]CC(=O)N[C@@](C)(C#N)C(C)C)cc(OC)c1OC ZINC000271770779 550400479 /nfs/dbraw/zinc/40/04/79/550400479.db2.gz NSFDWKBCLUMPPH-DJJJIMSYSA-N 1 0 363.458 2.417 20 30 FEEDRO C=CCNC(=O)CNC(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000272019428 550416633 /nfs/dbraw/zinc/41/66/33/550416633.db2.gz CALGUKXVESJCOL-UHFFFAOYSA-N 1 0 358.486 2.385 20 30 FEEDRO CC(C)(O)C[N@H+](CC(=O)NCc1ccc(C#N)cc1)Cc1ccccc1 ZINC000272120470 550424138 /nfs/dbraw/zinc/42/41/38/550424138.db2.gz SVIDLYPDPYIAMO-UHFFFAOYSA-N 1 0 351.450 2.448 20 30 FEEDRO CN1CC[N@H+](C)C[C@H]1CNC(=O)c1ccccc1Oc1ccccc1C#N ZINC000272483861 550451817 /nfs/dbraw/zinc/45/18/17/550451817.db2.gz GWIAXBUIEDGUIO-QGZVFWFLSA-N 1 0 364.449 2.326 20 30 FEEDRO CCN(CC)C(=O)C[C@H](C)[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000272480302 550452063 /nfs/dbraw/zinc/45/20/63/550452063.db2.gz AWNMCUZAJGUUDL-MAUKXSAKSA-N 1 0 356.470 2.290 20 30 FEEDRO C[NH+]1CCC(C)(CNC(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000272751253 550468541 /nfs/dbraw/zinc/46/85/41/550468541.db2.gz XPWQBFNKPXAPCN-UHFFFAOYSA-N 1 0 356.470 2.274 20 30 FEEDRO C=CCS(=O)(=O)CC[NH2+][C@H](C)c1ccc(OC)c(Cn2cccn2)c1 ZINC000272835717 550472802 /nfs/dbraw/zinc/47/28/02/550472802.db2.gz ITJQBXHMEOLVMF-OAHLLOKOSA-N 1 0 363.483 2.191 20 30 FEEDRO C=CCS(=O)(=O)CC[NH2+][C@H](C)CC(=O)N(C)Cc1cccc(Cl)c1 ZINC000272867312 550474128 /nfs/dbraw/zinc/47/41/28/550474128.db2.gz NZFCODCHEFDCMA-CQSZACIVSA-N 1 0 372.918 2.267 20 30 FEEDRO C=CCS(=O)(=O)CCN[C@@H](C)c1nnn(-c2cccc(Cl)c2)c1C ZINC000272903605 550476282 /nfs/dbraw/zinc/47/62/82/550476282.db2.gz VMFMGPALAWFPFE-LBPRGKRZSA-N 1 0 368.890 2.481 20 30 FEEDRO C[C@]1([NH2+]CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CCO[C@@H]1C1CC1 ZINC000273007843 550480589 /nfs/dbraw/zinc/48/05/89/550480589.db2.gz BKWVOFHEESNCLC-QUCCMNQESA-N 1 0 365.437 2.230 20 30 FEEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH2+][C@@H](C)c1cnn(C)c1 ZINC000273439749 550498531 /nfs/dbraw/zinc/49/85/31/550498531.db2.gz ZFYONFQHUVLREY-GJZGRUSLSA-N 1 0 355.442 2.415 20 30 FEEDRO C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(OCC(=O)OC)cc1 ZINC000274439211 550537713 /nfs/dbraw/zinc/53/77/13/550537713.db2.gz IKWPDJDMBVSAIR-HOTGVXAUSA-N 1 0 360.454 2.478 20 30 FEEDRO C=CCN(CC=C)C(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(OCC(=O)OC)cc1 ZINC000274439213 550537797 /nfs/dbraw/zinc/53/77/97/550537797.db2.gz IKWPDJDMBVSAIR-HZPDHXFCSA-N 1 0 360.454 2.478 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)Nc2cccnc2SCCC(=O)OC)CC1 ZINC000275028735 550570260 /nfs/dbraw/zinc/57/02/60/550570260.db2.gz JYWJUUZZMQGXMR-UHFFFAOYSA-N 1 0 361.467 2.021 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@@H](OCCOC)C1)C(C)C ZINC000275526297 550572641 /nfs/dbraw/zinc/57/26/41/550572641.db2.gz BEIGCDLPNBXAKL-QZTJIDSGSA-N 1 0 353.507 2.132 20 30 FEEDRO C[C@@H](C#N)CN(C)C(=O)C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000275699826 550573765 /nfs/dbraw/zinc/57/37/65/550573765.db2.gz OAACCDPDNZSEDB-INIZCTEOSA-N 1 0 356.470 2.475 20 30 FEEDRO CC[C@@H](CC#N)NC(=O)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000275757505 550574250 /nfs/dbraw/zinc/57/42/50/550574250.db2.gz FMHLMKPXJVJYNY-KRWDZBQOSA-N 1 0 356.470 2.462 20 30 FEEDRO C[C@H](NC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1)C1=CC[N@H+](C)CC1 ZINC000275938344 550575382 /nfs/dbraw/zinc/57/53/82/550575382.db2.gz APGHRECMHBRATC-AWEZNQCLSA-N 1 0 354.454 2.193 20 30 FEEDRO C#CCC(CC#C)C(=O)N[C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000277304153 550653972 /nfs/dbraw/zinc/65/39/72/550653972.db2.gz BDIUGIZQJAWBLI-MRXNPFEDSA-N 1 0 355.457 2.418 20 30 FEEDRO CC[C@H]([NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1)c1ccc(C#N)cc1 ZINC000278367420 550777864 /nfs/dbraw/zinc/77/78/64/550777864.db2.gz BWVHSCWTJHQWGQ-CVEARBPZSA-N 1 0 364.492 2.495 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)NCc2nc(-c3cccc(F)c3)no2)CC1 ZINC000278465953 550789369 /nfs/dbraw/zinc/78/93/69/550789369.db2.gz PTFDNEPEDUWJIW-UHFFFAOYSA-N 1 0 359.405 2.325 20 30 FEEDRO C#CCn1ccc(CN(CC)C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)n1 ZINC000278713940 550814102 /nfs/dbraw/zinc/81/41/02/550814102.db2.gz KGWKFPLBESDKLS-SFHVURJKSA-N 1 0 369.469 2.478 20 30 FEEDRO COc1cc(C#N)ccc1OCCN1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC000278837873 550827398 /nfs/dbraw/zinc/82/73/98/550827398.db2.gz KNBXTUKCZDNPOG-INIZCTEOSA-N 1 0 359.470 2.131 20 30 FEEDRO COC[C@H]([NH2+][C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)[C@H]1CCCO1 ZINC000279083270 550853144 /nfs/dbraw/zinc/85/31/44/550853144.db2.gz OHOYSCOAHMCOCE-FHLIZLRMSA-N 1 0 363.433 2.244 20 30 FEEDRO CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000279208424 550865151 /nfs/dbraw/zinc/86/51/51/550865151.db2.gz LXGSUEJQCGSCHB-MRXNPFEDSA-N 1 0 371.485 2.140 20 30 FEEDRO CCc1n[nH]c(C(=O)N(CCC#N)CCC[NH+](C)C)c1Br ZINC000279278282 550872648 /nfs/dbraw/zinc/87/26/48/550872648.db2.gz SKQLBHBLLLXOLW-UHFFFAOYSA-N 1 0 356.268 2.042 20 30 FEEDRO N#CCCn1cc(CN2CC(=O)N[C@H]3CCCC[C@H]32)c(-c2ccncc2)n1 ZINC000279402168 550886161 /nfs/dbraw/zinc/88/61/61/550886161.db2.gz MOHYAFWOUPQTNT-ZWKOTPCHSA-N 1 0 364.453 2.102 20 30 FEEDRO C[C@@H]1C[N@H+](CCCNC(=O)c2cc(-c3cccc(C#N)c3)no2)CCCO1 ZINC000280006699 550951941 /nfs/dbraw/zinc/95/19/41/550951941.db2.gz CCZGINBMOIKFBI-OAHLLOKOSA-N 1 0 368.437 2.444 20 30 FEEDRO Cc1oc(C#N)cc1C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000280477993 550998380 /nfs/dbraw/zinc/99/83/80/550998380.db2.gz AAWDGMLQKHEYFZ-UHFFFAOYSA-N 1 0 352.438 2.007 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000281212796 551074432 /nfs/dbraw/zinc/07/44/32/551074432.db2.gz DHPSDFTVNKAPHV-PMACEKPBSA-N 1 0 357.498 2.145 20 30 FEEDRO C=CCN1CC[C@@H]([N@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCC3)C1=O ZINC000281292331 551081763 /nfs/dbraw/zinc/08/17/63/551081763.db2.gz JHRGJRXEBKHFBI-OAHLLOKOSA-N 1 0 372.494 2.156 20 30 FEEDRO COc1cc(C[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)ccc1C#N ZINC000281589541 551117316 /nfs/dbraw/zinc/11/73/16/551117316.db2.gz DXFNERKZCLBFTP-IBGZPJMESA-N 1 0 360.417 2.329 20 30 FEEDRO COc1ccc(CN2CC[C@@H]([NH2+]Cc3ccc(C#N)c(OC)c3)C2=O)cc1 ZINC000281783173 551142805 /nfs/dbraw/zinc/14/28/05/551142805.db2.gz TXFCALHOELISPZ-LJQANCHMSA-N 1 0 365.433 2.466 20 30 FEEDRO C=C(C)[C@H]1OCC[C@H]1CNC(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000281857800 551149538 /nfs/dbraw/zinc/14/95/38/551149538.db2.gz RQUGYICTMNHZAW-QFBILLFUSA-N 1 0 358.486 2.326 20 30 FEEDRO C=CCN1CC[C@H]([NH+]2CCC(C(=O)NCc3ccc(C)c(F)c3)CC2)C1=O ZINC000281925572 551158786 /nfs/dbraw/zinc/15/87/86/551158786.db2.gz HNTGHHWNMAWWHP-IBGZPJMESA-N 1 0 373.472 2.249 20 30 FEEDRO C=C(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[NH+](CCC)CC1 ZINC000282777408 551269319 /nfs/dbraw/zinc/26/93/19/551269319.db2.gz DTHWCDMXTFOIOG-UHFFFAOYSA-N 1 0 369.473 2.034 20 30 FEEDRO C[C@@H](CC#N)N(C)S(=O)(=O)N1CCC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000282985300 551293636 /nfs/dbraw/zinc/29/36/36/551293636.db2.gz MJQWZJUPWZSBSP-DLBZAZTESA-N 1 0 364.515 2.062 20 30 FEEDRO C[C@H]([NH2+][C@@H]1CCC(=O)N(C)[C@H]1c1ccnn1C)c1ccc(C#N)c(F)c1 ZINC000497720751 561507057 /nfs/dbraw/zinc/50/70/57/561507057.db2.gz WVXDHWNOPBAYRU-JOKNJTHLSA-N 1 0 355.417 2.444 20 30 FEEDRO COCc1ncsc1C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000283322792 551347675 /nfs/dbraw/zinc/34/76/75/551347675.db2.gz FDTRYQKBOBFMPA-UHFFFAOYSA-N 1 0 358.467 2.365 20 30 FEEDRO C=C(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[NH+](CC(C)C)CC1 ZINC000283415010 551362379 /nfs/dbraw/zinc/36/23/79/551362379.db2.gz XGYAJUOZTNJZMV-UHFFFAOYSA-N 1 0 371.533 2.494 20 30 FEEDRO C=C(C)Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000283494091 551376515 /nfs/dbraw/zinc/37/65/15/551376515.db2.gz DBNKFQWLHSMWME-INIZCTEOSA-N 1 0 362.522 2.161 20 30 FEEDRO C=CCn1c(N)nnc1SC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000283534512 551383116 /nfs/dbraw/zinc/38/31/16/551383116.db2.gz MPVHZFFBGFSNGB-MRXNPFEDSA-N 1 0 359.499 2.430 20 30 FEEDRO C=C(C)Cn1c(C)nnc1N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000283739863 551419629 /nfs/dbraw/zinc/41/96/29/551419629.db2.gz ZRPIPAOQSBALHA-UHFFFAOYSA-N 1 0 361.412 2.254 20 30 FEEDRO CC(C)[N@H+](CCOCCO)CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000283752393 551421721 /nfs/dbraw/zinc/42/17/21/551421721.db2.gz LCFDBXYSSOCCLH-UHFFFAOYSA-N 1 0 365.499 2.156 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)c2cccc(OC(C)C)c2)CC1 ZINC000284037234 551472504 /nfs/dbraw/zinc/47/25/04/551472504.db2.gz JMBCHZVRGQRKRC-INIZCTEOSA-N 1 0 373.497 2.418 20 30 FEEDRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H](C)c2ccc(C#N)cc2)CC1=O ZINC000498190971 561517933 /nfs/dbraw/zinc/51/79/33/561517933.db2.gz SCLRHQJEZWKFKR-KFKAGJAMSA-N 1 0 368.481 2.068 20 30 FEEDRO C=CCOc1ccc(CNC(=[NH2+])NC2CCN(C(=O)OCC)CC2)cc1 ZINC000285025385 551691996 /nfs/dbraw/zinc/69/19/96/551691996.db2.gz JIQJRNWERBXSAM-UHFFFAOYSA-N 1 0 360.458 2.277 20 30 FEEDRO C=CCC[C@H](NC(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccccc1 ZINC000285332239 551739878 /nfs/dbraw/zinc/73/98/78/551739878.db2.gz UJOBTSDOPLGXDD-LPHOPBHVSA-N 1 0 355.482 2.411 20 30 FEEDRO C=CCN(CCc1ccco1)C(=O)C(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000285389838 551748262 /nfs/dbraw/zinc/74/82/62/551748262.db2.gz VAQQIGBYVSXVIR-UHFFFAOYSA-N 1 0 361.486 2.073 20 30 FEEDRO Cc1ccc(C#N)cc1S(=O)(=O)N[C@H]1CN(C)C[C@H]1c1ccccc1 ZINC000498850737 561535799 /nfs/dbraw/zinc/53/57/99/561535799.db2.gz BRMMIVGUIUXHEF-ROUUACIJSA-N 1 0 355.463 2.243 20 30 FEEDRO CC[C@@H]([NH2+]CC(=O)N(CCC#N)CCC#N)c1ccc(OC)c(OC)c1 ZINC000285602324 551781481 /nfs/dbraw/zinc/78/14/81/551781481.db2.gz YGTWSBIHJPVDPL-MRXNPFEDSA-N 1 0 358.442 2.400 20 30 FEEDRO Cc1ccc([C@@H](CNC(=O)C(=O)NCCCCC#N)[NH+]2CCCC2)cc1 ZINC000286285739 551869661 /nfs/dbraw/zinc/86/96/61/551869661.db2.gz PEWVLKUXYCHADH-GOSISDBHSA-N 1 0 356.470 2.058 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H]2Cc2ccc(C)cc2)CC1 ZINC000286412478 551884497 /nfs/dbraw/zinc/88/44/97/551884497.db2.gz FJJZWLITCNXEPS-FQEVSTJZSA-N 1 0 369.509 2.295 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N(Cc2ccc(F)cc2)C2CC2)CC1 ZINC000286468521 551889160 /nfs/dbraw/zinc/88/91/60/551889160.db2.gz IKYLRRPKVCJMAN-UHFFFAOYSA-N 1 0 359.445 2.083 20 30 FEEDRO CNC(=O)CC[C@H]1CCCC[N@@H+]1[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000286471920 551889821 /nfs/dbraw/zinc/88/98/21/551889821.db2.gz NTBXMSMHOUAZQA-IEBWSBKVSA-N 1 0 368.481 2.434 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[C@H](c3cccc(F)c3)C2)CC1 ZINC000286508143 551894170 /nfs/dbraw/zinc/89/41/70/551894170.db2.gz KTJZQFVEIDIBHX-LPHOPBHVSA-N 1 0 373.472 2.345 20 30 FEEDRO COc1cc(OC)c2ncc(C#N)c(NCC[N@@H+]3CCCOCC3)c2c1 ZINC000286554804 551899495 /nfs/dbraw/zinc/89/94/95/551899495.db2.gz DVFYTEQAGGLGST-UHFFFAOYSA-N 1 0 356.426 2.258 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCc3sccc3[C@@H]2C)CC1 ZINC000286611420 551905860 /nfs/dbraw/zinc/90/58/60/551905860.db2.gz LIZRWJLLCKVETI-AWEZNQCLSA-N 1 0 361.511 2.351 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N2CCc3sccc3[C@H]2CC)CC1 ZINC000286648964 551910448 /nfs/dbraw/zinc/91/04/48/551910448.db2.gz NGHCVPZCJYASIB-MRXNPFEDSA-N 1 0 361.511 2.351 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N2CCc3sccc3[C@@H]2CC)CC1 ZINC000286648957 551910495 /nfs/dbraw/zinc/91/04/95/551910495.db2.gz NGHCVPZCJYASIB-INIZCTEOSA-N 1 0 361.511 2.351 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCC2(Cc3ccccc3)CC2)CC1 ZINC000286722464 551918871 /nfs/dbraw/zinc/91/88/71/551918871.db2.gz QZCMEGVZIWKZPT-UHFFFAOYSA-N 1 0 369.509 2.282 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N(C)Cc2cc3ccccc3o2)CC1 ZINC000286730064 551919668 /nfs/dbraw/zinc/91/96/68/551919668.db2.gz RNVHRFWOMUWDKW-UHFFFAOYSA-N 1 0 355.438 2.158 20 30 FEEDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)NCCCCC#N ZINC000286774271 551924647 /nfs/dbraw/zinc/92/46/47/551924647.db2.gz RDNNNRRPMVAHQA-SFHVURJKSA-N 1 0 370.497 2.213 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N(C)[C@@H](C)c2cc(F)ccc2F)CC1 ZINC000286795334 551926681 /nfs/dbraw/zinc/92/66/81/551926681.db2.gz UOFMZIASYMWQRF-ZDUSSCGKSA-N 1 0 365.424 2.251 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)NCc2ccc(C3CCC3)cc2)CC1 ZINC000286837741 551932078 /nfs/dbraw/zinc/93/20/78/551932078.db2.gz XWZKXMUMFLPLAG-UHFFFAOYSA-N 1 0 355.482 2.337 20 30 FEEDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(S(=O)(=O)c2ccc(C#N)o2)C1 ZINC000286844521 551932657 /nfs/dbraw/zinc/93/26/57/551932657.db2.gz KPAJVGKCZPTHOM-HUUCEWRRSA-N 1 0 351.472 2.426 20 30 FEEDRO C#CC[C@H](Cc1ccccc1)NC(=O)NC[C@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000286919233 551940364 /nfs/dbraw/zinc/94/03/64/551940364.db2.gz AWPJPNSOIYZLNP-NHCUHLMSSA-N 1 0 370.541 2.192 20 30 FEEDRO N#CC[C@@H](O)CSc1nnc(CN2CCCC2)n1Cc1ccccc1 ZINC000286958392 551944629 /nfs/dbraw/zinc/94/46/29/551944629.db2.gz BFJNQECBKFRPJU-MRXNPFEDSA-N 1 0 357.483 2.289 20 30 FEEDRO C=CCOc1ccc(CNC(=O)NC[C@H](C(C)C)[NH+]2CCN(C)CC2)cc1 ZINC000287156088 551970230 /nfs/dbraw/zinc/97/02/30/551970230.db2.gz QCBNMILVJQQRRE-HXUWFJFHSA-N 1 0 374.529 2.323 20 30 FEEDRO N#CC1(C(=O)N2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)CCCC1 ZINC000287198108 551975414 /nfs/dbraw/zinc/97/54/14/551975414.db2.gz HZNCBHDTBFIDMG-HXUWFJFHSA-N 1 0 366.509 2.489 20 30 FEEDRO C[C@@H]1C[C@H](NS(=O)(=O)c2ccc(C#N)o2)CC[N@@H+]1Cc1ccccc1 ZINC000287659990 552031283 /nfs/dbraw/zinc/03/12/83/552031283.db2.gz CSXAVRCGRYZTQT-GDBMZVCRSA-N 1 0 359.451 2.483 20 30 FEEDRO C[C@H]1C[C@H](NS(=O)(=O)c2ccc(C#N)o2)CC[N@@H+]1Cc1ccccc1 ZINC000287659996 552031290 /nfs/dbraw/zinc/03/12/90/552031290.db2.gz CSXAVRCGRYZTQT-GOEBONIOSA-N 1 0 359.451 2.483 20 30 FEEDRO CC[NH+](CC)[C@H]1CCN(C(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)C1 ZINC000287938716 552065818 /nfs/dbraw/zinc/06/58/18/552065818.db2.gz PVZWSOVGPOGVHI-SJORKVTESA-N 1 0 358.461 2.466 20 30 FEEDRO Cc1onc(CC(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2F)c1C#N ZINC000499686603 561556047 /nfs/dbraw/zinc/55/60/47/561556047.db2.gz UYNKUMBZOCDCNG-UHFFFAOYSA-N 1 0 362.380 2.266 20 30 FEEDRO C=CCN(CC=C)C(=O)C(=O)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000289189382 552279663 /nfs/dbraw/zinc/27/96/63/552279663.db2.gz QDTKDXQAPXAZTF-HKUYNNGSSA-N 1 0 355.482 2.214 20 30 FEEDRO COc1ccc([C@H](C[NH+]2CCCC2)NC(=O)c2cc(C#N)cn2C)cc1 ZINC000500408303 561571672 /nfs/dbraw/zinc/57/16/72/561571672.db2.gz JMSIGASTPLIFES-SFHVURJKSA-N 1 0 352.438 2.472 20 30 FEEDRO Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N3CC[N@@H+](C)CC3(C)C)C2)n1 ZINC000500509034 561575546 /nfs/dbraw/zinc/57/55/46/561575546.db2.gz VBOJWCVQFZSLHU-QGZVFWFLSA-N 1 0 355.486 2.031 20 30 FEEDRO Cc1onc(CC(=O)N(C)CC2CCN(c3cc[nH+]cc3)CC2)c1C#N ZINC000500412820 561572179 /nfs/dbraw/zinc/57/21/79/561572179.db2.gz ZPYFBXNDAYXGNN-UHFFFAOYSA-N 1 0 353.426 2.167 20 30 FEEDRO C[C@H](CNS(=O)(=O)Cc1cc(C#N)ccc1F)[N@@H+]1CCCC[C@H]1C ZINC000500806201 561583126 /nfs/dbraw/zinc/58/31/26/561583126.db2.gz FNFWWENIXIFLTH-ZIAGYGMSSA-N 1 0 353.463 2.380 20 30 FEEDRO N#CCCN(CCC#N)C(=O)C[NH2+][C@@H]1c2ccccc2CC12CCOCC2 ZINC000290182300 552439359 /nfs/dbraw/zinc/43/93/59/552439359.db2.gz RAQQLYBCWDJXKQ-HXUWFJFHSA-N 1 0 366.465 2.326 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2CC)CC1 ZINC000290235771 552446469 /nfs/dbraw/zinc/44/64/69/552446469.db2.gz LNMHYLFFQCPOBE-UHFFFAOYSA-N 1 0 374.441 2.252 20 30 FEEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N[C@H](C)C[N@H+](C)C(C)C ZINC000290463978 552483142 /nfs/dbraw/zinc/48/31/42/552483142.db2.gz YMJIBLUCYNQPMR-CQSZACIVSA-N 1 0 360.458 2.129 20 30 FEEDRO COCC1(C#N)CCN(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000500998068 561587426 /nfs/dbraw/zinc/58/74/26/561587426.db2.gz GSZJFRRTANNATM-UHFFFAOYSA-N 1 0 371.485 2.260 20 30 FEEDRO C=C(C)Cn1c(-c2cnn(C)c2)nnc1N(C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000290888717 552556046 /nfs/dbraw/zinc/55/60/46/552556046.db2.gz BLSWXMDDWHCPHR-DOTOQJQBSA-N 1 0 357.506 2.421 20 30 FEEDRO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@H](C)c1ccc(N2CCCNC2=O)cc1 ZINC000291297811 552611993 /nfs/dbraw/zinc/61/19/93/552611993.db2.gz RUINJCKYRYHJCB-JKSUJKDBSA-N 1 0 371.485 2.265 20 30 FEEDRO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCC[C@](CO)(Cc2ccccc2)C1 ZINC000291814576 552664460 /nfs/dbraw/zinc/66/44/60/552664460.db2.gz NOZRPKIXZIVOJV-RXVVDRJESA-N 1 0 357.498 2.312 20 30 FEEDRO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000291814567 552664487 /nfs/dbraw/zinc/66/44/87/552664487.db2.gz NOZRPKIXZIVOJV-GHTZIAJQSA-N 1 0 357.498 2.312 20 30 FEEDRO CCCc1nc(C)c(CNC(=[NH2+])N2CCN(C(=O)OC(C)(C)C)CC2)o1 ZINC000292004742 552683749 /nfs/dbraw/zinc/68/37/49/552683749.db2.gz XZMXNKIXUZJLRY-UHFFFAOYSA-N 1 0 365.478 2.303 20 30 FEEDRO C[NH+]1CCC([C@@H]2CCN(S(=O)(=O)c3ccc(C#N)c(F)c3)C2)CC1 ZINC000292166938 552700463 /nfs/dbraw/zinc/70/04/63/552700463.db2.gz DASIWZJPGZXYGT-OAHLLOKOSA-N 1 0 351.447 2.050 20 30 FEEDRO C[C@@H](CCNC(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1)[NH+]1CCCCC1 ZINC000292300988 552713773 /nfs/dbraw/zinc/71/37/73/552713773.db2.gz MYIBAXBTDVCEHX-FUHWJXTLSA-N 1 0 371.485 2.380 20 30 FEEDRO N#Cc1cccc(OC2CC[NH+](C[C@H](O)COCC(F)(F)F)CC2)c1 ZINC000292638140 552745467 /nfs/dbraw/zinc/74/54/67/552745467.db2.gz ODYOJSNWCUGXMX-AWEZNQCLSA-N 1 0 358.360 2.341 20 30 FEEDRO C[N@H+](CCCCC(C)(C)C#N)CCOc1ccc(S(N)(=O)=O)cc1 ZINC000292784313 552758230 /nfs/dbraw/zinc/75/82/30/552758230.db2.gz QDAASQFDZPPDHK-UHFFFAOYSA-N 1 0 353.488 2.365 20 30 FEEDRO C=CCCCS(=O)(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000292798200 552759651 /nfs/dbraw/zinc/75/96/51/552759651.db2.gz ZAFXXNZHLIIUMC-GOSISDBHSA-N 1 0 352.500 2.163 20 30 FEEDRO N#CCCN(CCC#N)C(=O)C[NH2+][C@H](c1ccccc1)C1(CO)CCC1 ZINC000292902331 552769750 /nfs/dbraw/zinc/76/97/50/552769750.db2.gz ZQPAQPALQJQHEN-LJQANCHMSA-N 1 0 354.454 2.136 20 30 FEEDRO C[C@H]1CN(C(=O)C(=O)Nc2cc(C#N)ccc2Cl)CC[N@@H+](C2CCC2)C1 ZINC000293086550 552787481 /nfs/dbraw/zinc/78/74/81/552787481.db2.gz AOSPDFALLFTPCK-CYBMUJFWSA-N 1 0 374.872 2.483 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cc(F)cc(F)c2F)CC1 ZINC000293233684 552801567 /nfs/dbraw/zinc/80/15/67/552801567.db2.gz CCDBLZFIZIUVOL-UHFFFAOYSA-N 1 0 355.360 2.199 20 30 FEEDRO N#Cc1ccsc1NC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000293666684 552845393 /nfs/dbraw/zinc/84/53/93/552845393.db2.gz MJTIMRYDHVZTOS-DZGCQCFKSA-N 1 0 358.467 2.034 20 30 FEEDRO C#CCNC(=O)CC[NH+]1CCC(O)(c2ccccc2C(F)(F)F)CC1 ZINC000293990778 552873359 /nfs/dbraw/zinc/87/33/59/552873359.db2.gz FLLDGXCGLWMJKP-UHFFFAOYSA-N 1 0 354.372 2.128 20 30 FEEDRO C#CC[N@@H+](C)CCCNC(=O)[C@@H](NC(=O)c1ccccc1Cl)C(C)C ZINC000294042428 552877548 /nfs/dbraw/zinc/87/75/48/552877548.db2.gz SRWHFFDZEIRQAN-KRWDZBQOSA-N 1 0 363.889 2.166 20 30 FEEDRO N#Cc1ccsc1NC(=O)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000294126164 552884177 /nfs/dbraw/zinc/88/41/77/552884177.db2.gz PHQIBSXHOLSKIX-UHFFFAOYSA-N 1 0 360.483 2.472 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)Nc1sccc1C#N ZINC000294790098 552934508 /nfs/dbraw/zinc/93/45/08/552934508.db2.gz OICXYBYHHAUFRJ-UHFFFAOYSA-N 1 0 374.441 2.288 20 30 FEEDRO C#CCCOc1ccc(C(=O)NC[C@H](C(C)C)[NH+]2CCN(C)CC2)cc1 ZINC000294931370 552945435 /nfs/dbraw/zinc/94/54/35/552945435.db2.gz LMPSWPIXUINRGJ-HXUWFJFHSA-N 1 0 357.498 2.091 20 30 FEEDRO COc1c(C)cnc(C[N@H+](C)C[C@@H](O)COc2ccc(C#N)cc2)c1C ZINC000295107324 552959274 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30 FEEDRO C=CCN(CC=C)C(=O)C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000297505089 553301545 /nfs/dbraw/zinc/30/15/45/553301545.db2.gz LSUOETLFHJTQQB-IBGZPJMESA-N 1 0 355.482 2.168 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)N(Cc1ccccc1)C[C@H](O)c1ccco1 ZINC000297516009 553303060 /nfs/dbraw/zinc/30/30/60/553303060.db2.gz PNZLTYUHFBOYQK-IBGZPJMESA-N 1 0 369.465 2.480 20 30 FEEDRO CNC(=O)[C@H]1CCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 ZINC000298032439 553374123 /nfs/dbraw/zinc/37/41/23/553374123.db2.gz FSZHWNREMIFJOF-SWLSCSKDSA-N 1 0 374.510 2.284 20 30 FEEDRO C=CCN(Cc1ccccc1)C(=O)C(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000298177633 553394556 /nfs/dbraw/zinc/39/45/56/553394556.db2.gz CZECANQGUYZFIC-NRFANRHFSA-N 1 0 355.482 2.146 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)CC1 ZINC000298317024 553411676 /nfs/dbraw/zinc/41/16/76/553411676.db2.gz YZSBKISFPUSTRZ-UHFFFAOYSA-N 1 0 374.441 2.307 20 30 FEEDRO C[NH+](C)CCOc1cccc(CNS(=O)(=O)Cc2ccc(C#N)cc2)c1 ZINC000298831909 553478555 /nfs/dbraw/zinc/47/85/55/553478555.db2.gz AQENKRXQNSHKEJ-UHFFFAOYSA-N 1 0 373.478 2.118 20 30 FEEDRO C[C@H]1CCC[C@@](CNC(=O)C(=O)Nc2cccc(OCC#N)c2)([NH+](C)C)C1 ZINC000298979076 553498536 /nfs/dbraw/zinc/49/85/36/553498536.db2.gz KBPWETUSSPMWDI-MGPUTAFESA-N 1 0 372.469 2.154 20 30 FEEDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CCC(C)(C#N)CC2)[C@@H](C)C1 ZINC000503898820 561649681 /nfs/dbraw/zinc/64/96/81/561649681.db2.gz BWUITSJPXGMWAL-IRXDYDNUSA-N 1 0 350.507 2.459 20 30 FEEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[NH2+]C(C)(C)CC(N)=O)sc2C1 ZINC000299198039 553529000 /nfs/dbraw/zinc/52/90/00/553529000.db2.gz FDQWRBUBFNJNDX-NSHDSACASA-N 1 0 362.499 2.317 20 30 FEEDRO C[C@H](CNc1ccc(S(N)(=O)=O)cc1C#N)[N@H+](C)Cc1ccccc1 ZINC000301393576 553648143 /nfs/dbraw/zinc/64/81/43/553648143.db2.gz JMHLAEHXNZFEJD-CQSZACIVSA-N 1 0 358.467 2.138 20 30 FEEDRO CN(C(=O)N=c1[nH]n(C)cc1C#N)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000602882316 553659012 /nfs/dbraw/zinc/65/90/12/553659012.db2.gz UTNUTOZJDHYISQ-UHFFFAOYSA-N 1 0 358.368 2.172 20 30 FEEDRO COc1ccc(CNC(=[NH2+])NC[C@@H]2CC(=O)Nc3ccccc32)cc1OC ZINC000304773521 553747333 /nfs/dbraw/zinc/74/73/33/553747333.db2.gz BJEASAUZZFMSFX-AWEZNQCLSA-N 1 0 368.437 2.234 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c(Cl)c1 ZINC000321878901 553767457 /nfs/dbraw/zinc/76/74/57/553767457.db2.gz PVSHNPNKIJMBQH-ZFWWWQNUSA-N 1 0 353.875 2.364 20 30 FEEDRO COC[C@H]1CN(C(=O)NCC[NH+]2CCC3(CCCCC3)CC2)CCO1 ZINC000328608208 553795679 /nfs/dbraw/zinc/79/56/79/553795679.db2.gz LVISCHJJDVGTLS-QGZVFWFLSA-N 1 0 353.507 2.294 20 30 FEEDRO CS(=O)(=O)[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)N[C@H]1CCOc2ccccc21 ZINC000328640655 553800858 /nfs/dbraw/zinc/80/08/58/553800858.db2.gz CTJHADCRIPVHIF-YQQAZPJKSA-N 1 0 366.483 2.412 20 30 FEEDRO COCC1(CNC(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CCC1 ZINC000328644932 553801255 /nfs/dbraw/zinc/80/12/55/553801255.db2.gz GSWQZMLCQSELCQ-IAGOWNOFSA-N 1 0 353.507 2.075 20 30 FEEDRO CC[NH+]1CCC(NC(=O)N2CCN(C(=O)CC3CCCCC3)CC2)CC1 ZINC000328676589 553805661 /nfs/dbraw/zinc/80/56/61/553805661.db2.gz LOSAPJPEZHTIDT-UHFFFAOYSA-N 1 0 364.534 2.499 20 30 FEEDRO CC1CC[NH+](C2CCC(NC(=O)N3C[C@@H]4COC[C@H](C3)O4)CC2)CC1 ZINC000328681098 553806383 /nfs/dbraw/zinc/80/63/83/553806383.db2.gz CIXAVLRWKNSHJO-OWCVQMPJSA-N 1 0 351.491 2.043 20 30 FEEDRO C[C@H](CNC(=O)NC[C@@H]1CCC2(CCOCC2)[C@H]1O)[NH+]1CCC(C)CC1 ZINC000328719778 553812131 /nfs/dbraw/zinc/81/21/31/553812131.db2.gz VTOBAJRRSXLXFO-SQNIBIBYSA-N 1 0 367.534 2.178 20 30 FEEDRO C[C@@H](NC(=O)c1cc2c(s1)CCOC2)C(=O)NCC[NH+]1CCCCC1 ZINC000328752017 553816302 /nfs/dbraw/zinc/81/63/02/553816302.db2.gz CRSBVGMFUOKLQB-CYBMUJFWSA-N 1 0 365.499 2.382 20 30 FEEDRO CC(C)Cn1ncc2cc(C(=O)NC[C@H](C)N3CC[NH+](C)CC3)cnc21 ZINC000328776112 553820010 /nfs/dbraw/zinc/82/00/10/553820010.db2.gz KUQMXXNABJNGNB-HNNXBMFYSA-N 1 0 358.490 2.028 20 30 FEEDRO Cn1ccnc1CN1C[C@@H](F)C[C@H]1CNC(=O)C1CC[NH+](C2CC2)CC1 ZINC000328784205 553821840 /nfs/dbraw/zinc/82/18/40/553821840.db2.gz VPNKIRUSPIPTLV-RDJZCZTQSA-N 1 0 363.481 2.163 20 30 FEEDRO O=C(NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)N1CC=C(C(F)(F)F)CC1 ZINC000328795522 553823644 /nfs/dbraw/zinc/82/36/44/553823644.db2.gz CHVRQFKINIDJFE-HUUCEWRRSA-N 1 0 361.408 2.473 20 30 FEEDRO O=C(C[N@@H+]1CC[C@@H](C2CCOCC2)C1)Nc1cc(-n2cnnn2)ccc1F ZINC000328801339 553824633 /nfs/dbraw/zinc/82/46/33/553824633.db2.gz ZDFPJJWKKPTCFH-CQSZACIVSA-N 1 0 374.420 2.138 20 30 FEEDRO CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCN(c3ccc4c(c3)OCCO4)C2=O)C1 ZINC000328821857 553827885 /nfs/dbraw/zinc/82/78/85/553827885.db2.gz OYPYKJJZGUSKRN-HOCLYGCPSA-N 1 0 373.453 2.252 20 30 FEEDRO Cc1cn2c(n1)[C@H](CNC(=O)CN1C(=O)[C@@H]3CCCC[C@@H]3C1=O)CCC2 ZINC000328836205 553830268 /nfs/dbraw/zinc/83/02/68/553830268.db2.gz SMVXEBJFXJSMSA-SOUVJXGZSA-N 1 0 358.442 2.201 20 30 FEEDRO C[C@H](NC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1)c1nnc2n1CCCC2 ZINC000328867241 553836082 /nfs/dbraw/zinc/83/60/82/553836082.db2.gz ODOYOJLKWSJUGF-HOCLYGCPSA-N 1 0 360.506 2.253 20 30 FEEDRO C[NH+](C)[C@]1(CNC(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)CCSC1 ZINC000328870569 553836578 /nfs/dbraw/zinc/83/65/78/553836578.db2.gz YBPORNNNGXLBFW-IVSAIRAKSA-N 1 0 353.532 2.275 20 30 FEEDRO CN1CCO[C@H]2CC[N@H+](CCC(=O)Nc3sc4c(c3C#N)CCC4)C[C@@H]21 ZINC000328927428 553846210 /nfs/dbraw/zinc/84/62/10/553846210.db2.gz XCRUMAZJIIRKTA-HOTGVXAUSA-N 1 0 374.510 2.491 20 30 FEEDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1cccc(N2CCCS2(=O)=O)c1 ZINC000328955028 553852619 /nfs/dbraw/zinc/85/26/19/553852619.db2.gz YQSCZLINNLQRHB-SJORKVTESA-N 1 0 363.483 2.158 20 30 FEEDRO CC(C)(C)[C@@H]1C[C@H](NC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)CCO1 ZINC000328960277 553853855 /nfs/dbraw/zinc/85/38/55/553853855.db2.gz QFFZCJMFEOJNCM-ZACQAIPSSA-N 1 0 353.507 2.148 20 30 FEEDRO CO[C@H]1C[C@@H](CN(C)C(=O)N[C@@H]2CCOC3(CCCCC3)C2)[N@H+](C)C1 ZINC000328994887 553861078 /nfs/dbraw/zinc/86/10/78/553861078.db2.gz GGJWHFXXFBDLAI-IKGGRYGDSA-N 1 0 353.507 2.433 20 30 FEEDRO O=C(NC1CC[NH+](C2CCCC2)CC1)N1CCOC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000328999478 553862241 /nfs/dbraw/zinc/86/22/41/553862241.db2.gz HFNBLDXESUHCQG-IPMKNSEASA-N 1 0 365.518 2.169 20 30 FEEDRO Cc1noc([C@H](NC(=O)NCC[N@H+]2CCC[C@H](C)C2)C2CCOCC2)n1 ZINC000329024621 553867237 /nfs/dbraw/zinc/86/72/37/553867237.db2.gz JCMCAOGQSDTVRZ-XJKSGUPXSA-N 1 0 365.478 2.081 20 30 FEEDRO CCc1c(NC(=O)N2CC[C@H]3OCCN(C)[C@H]3C2)cnn1-c1ccccc1 ZINC000329041048 553869500 /nfs/dbraw/zinc/86/95/00/553869500.db2.gz OIQDUWPOSLIAQX-RBUKOAKNSA-N 1 0 369.469 2.385 20 30 FEEDRO N#Cc1ccc(NCC(=O)NCC2([NH+]3CCSCC3)CCCC2)nc1 ZINC000329048779 553871569 /nfs/dbraw/zinc/87/15/69/553871569.db2.gz VVHUGKVAUWKMQT-UHFFFAOYSA-N 1 0 359.499 2.683 20 30 FEEDRO CC(C)c1nc(C(=O)NC2CC[NH+]([C@H]3CCN(C)C3=O)CC2)cs1 ZINC000329052984 553871870 /nfs/dbraw/zinc/87/18/70/553871870.db2.gz ADPAGGKDBFWTRG-AWEZNQCLSA-N 1 0 350.488 2.266 20 30 FEEDRO CC(C)[C@@H](C(=O)NCC1([NH+]2CCCC2)CCOCC1)N1CCCC1=O ZINC000329089193 553878492 /nfs/dbraw/zinc/87/84/92/553878492.db2.gz IILAOPNQGSMYSC-KRWDZBQOSA-N 1 0 351.491 2.235 20 30 FEEDRO CNC(=O)Cc1noc(C[N@@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@@H]32)n1 ZINC000329101413 553880580 /nfs/dbraw/zinc/88/05/80/553880580.db2.gz ZRNXEVAETATNHQ-PMPSAXMXSA-N 1 0 356.426 2.203 20 30 FEEDRO CN1CCO[C@H]2CN(C(=O)Nc3ccc4[nH]c(C(F)F)nc4c3)C[C@H]21 ZINC000329106958 553881363 /nfs/dbraw/zinc/88/13/63/553881363.db2.gz DQKAMRDPNSPWLD-OLZOCXBDSA-N 1 0 351.357 2.061 20 30 FEEDRO O=C(N[C@@H]1CCO[C@]2(CCOC2)C1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000329107225 553881519 /nfs/dbraw/zinc/88/15/19/553881519.db2.gz HWFDVADAVRMFFB-QWFCFKBJSA-N 1 0 360.454 2.182 20 30 FEEDRO NC(=O)[C@]1(O)CCCN(C(=O)NC[C@@H]2CCC[N@@H+]2CC2CCCCC2)C1 ZINC000329113225 553882602 /nfs/dbraw/zinc/88/26/02/553882602.db2.gz HIWXDRUCTYSVMV-LPHOPBHVSA-N 1 0 366.506 2.307 20 30 FEEDRO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N[C@@H]2CC(=O)N(C3CCCCC3)C2)C1 ZINC000329140058 553887946 /nfs/dbraw/zinc/88/79/46/553887946.db2.gz JEJRCBJPPUFUGA-INMHGKMJSA-N 1 0 350.507 2.152 20 30 FEEDRO CN1CC[C@H]([NH+]2CCC(NC(=O)c3ccc(C(F)(F)F)nc3)CC2)C1=O ZINC000329156994 553891593 /nfs/dbraw/zinc/89/15/93/553891593.db2.gz CYVIGGHHTCMCKU-ZDUSSCGKSA-N 1 0 370.375 2.100 20 30 FEEDRO CO[C@@H]1CCC[C@@H]1[C@@H]1COCCN1C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000329168792 553894103 /nfs/dbraw/zinc/89/41/03/553894103.db2.gz IXDGAZBFNOLHPY-ZSYWTGECSA-N 1 0 365.518 2.433 20 30 FEEDRO C[NH+](C)C1(CNC(=O)N2CC[C@H](C(=O)N3CCCC3)C2)CCCCCC1 ZINC000329213607 553903690 /nfs/dbraw/zinc/90/36/90/553903690.db2.gz JSJWFWKIOIGAER-KRWDZBQOSA-N 1 0 364.534 2.499 20 30 FEEDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)N[C@@H](c1cnn(C)c1)C(F)(F)F ZINC000329229238 553907054 /nfs/dbraw/zinc/90/70/54/553907054.db2.gz CKQHRZZEZPHQAJ-BNOWGMLFSA-N 1 0 359.396 2.496 20 30 FEEDRO C[C@@H]1CCC[C@](CNC(=O)N2CC[C@H](C(=O)N3CCCC3)C2)([NH+](C)C)C1 ZINC000329236226 553908348 /nfs/dbraw/zinc/90/83/48/553908348.db2.gz ODCRVTCXZAZRFT-UWVAXJGDSA-N 1 0 364.534 2.355 20 30 FEEDRO C[C@@H]1CCC[C@](CNC(=O)N2CCO[C@@]3(CCCOC3)C2)([NH+](C)C)C1 ZINC000329252264 553910957 /nfs/dbraw/zinc/91/09/57/553910957.db2.gz YLDLTBLIDGHURR-NEWSRXKRSA-N 1 0 353.507 2.292 20 30 FEEDRO CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000329310402 553922370 /nfs/dbraw/zinc/92/23/70/553922370.db2.gz QWDYKMSFSODEQK-CYBMUJFWSA-N 1 0 355.442 2.308 20 30 FEEDRO O=C(NCc1cc(Cl)c2c(c1)OCCO2)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000329307261 553922635 /nfs/dbraw/zinc/92/26/35/553922635.db2.gz PMVKPNCZNQIBIL-GFCCVEGCSA-N 1 0 351.834 2.352 20 30 FEEDRO CC(C)c1nc([C@@H]2COCCN2C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)no1 ZINC000329322749 553925292 /nfs/dbraw/zinc/92/52/92/553925292.db2.gz JQYAKDQZVTVBCI-ILXRZTDVSA-N 1 0 363.462 2.107 20 30 FEEDRO CN(C)c1ncc(CNC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)n1C ZINC000329373984 553934389 /nfs/dbraw/zinc/93/43/89/553934389.db2.gz KWPWSTVFQLGLMQ-AWEZNQCLSA-N 1 0 351.520 2.160 20 30 FEEDRO Cc1nc([C@H]2CCCN2C(=O)NC2CC[NH+](Cc3ccncc3)CC2)no1 ZINC000329378715 553935027 /nfs/dbraw/zinc/93/50/27/553935027.db2.gz MRFSGFXOONNEGT-QGZVFWFLSA-N 1 0 370.457 2.489 20 30 FEEDRO Cc1cc(=NC(=O)N2CC[NH+](C3CCC(C)CC3)CC2)[nH]n1CCC#N ZINC000329393768 553938021 /nfs/dbraw/zinc/93/80/21/553938021.db2.gz WIHUNJAIPAKTAC-UHFFFAOYSA-N 1 0 358.490 2.833 20 30 FEEDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)N[C@@H]3CCCN(c4ccccc4F)C3=O)[C@@H]2C1 ZINC000329464659 553951865 /nfs/dbraw/zinc/95/18/65/553951865.db2.gz VDHNJWKYMHPDDF-QGPMSJSTSA-N 1 0 374.460 2.261 20 30 FEEDRO CC[C@@H]1C[C@@H](C(=O)NCc2cccnc2N2CC[NH+](C)CC2)CC(=O)N1 ZINC000329464849 553951895 /nfs/dbraw/zinc/95/18/95/553951895.db2.gz UUACLGBWJGJWSZ-HZPDHXFCSA-N 1 0 359.474 2.435 20 30 FEEDRO COc1ccc(NC(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)cc1N1CCCC1=O ZINC000329471333 553952602 /nfs/dbraw/zinc/95/26/02/553952602.db2.gz ZLTQJORQQIUDFB-WMLDXEAASA-N 1 0 372.469 2.394 20 30 FEEDRO CC(C)[NH+]1CCC(NC(=O)N2CCC[C@@H]2C[C@@]2(C)NC(=O)NC2=O)CC1 ZINC000329487597 553956659 /nfs/dbraw/zinc/95/66/59/553956659.db2.gz UEFLXRDQOVZNQP-RDTXWAMCSA-N 1 0 365.478 2.271 20 30 FEEDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000329502543 553959067 /nfs/dbraw/zinc/95/90/67/553959067.db2.gz YWAKBUXICLCSFI-DLBZAZTESA-N 1 0 350.507 2.109 20 30 FEEDRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CCCC[C@H]2c2ccnn2C)C1 ZINC000329514755 553960619 /nfs/dbraw/zinc/96/06/19/553960619.db2.gz YGAGEUKAWJTVQK-AEFFLSMTSA-N 1 0 363.506 2.218 20 30 FEEDRO O=C(NCC1([NH+]2CCCCC2)CCOCC1)[C@@H]1OC[C@@H]2COCC[C@@H]12 ZINC000329537889 553963920 /nfs/dbraw/zinc/96/39/20/553963920.db2.gz VDBIJDRFRXQZBD-GVDBMIGSSA-N 1 0 352.475 2.030 20 30 FEEDRO C[C@@H]1CCC[C@@H](NC(=O)CN2CCN(C(=O)CCc3ncc[nH]3)CC2)C1 ZINC000329585872 553971954 /nfs/dbraw/zinc/97/19/54/553971954.db2.gz YFLFETJRFVNFMH-HZPDHXFCSA-N 1 0 361.490 2.022 20 30 FEEDRO CC1(C)CN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)[C@@H]1[C@@H]1CCCO1 ZINC000329660056 553984190 /nfs/dbraw/zinc/98/41/90/553984190.db2.gz NZJBTQXGHZBSNE-VSZNYVQBSA-N 1 0 365.518 2.168 20 30 FEEDRO C[NH+]1CCN(c2ccc(CNC(=O)NC[C@@H]3CCCCS3)cn2)CC1 ZINC000329668236 553985371 /nfs/dbraw/zinc/98/53/71/553985371.db2.gz RWUVOGXXFHDTLJ-INIZCTEOSA-N 1 0 363.531 2.123 20 30 FEEDRO C[C@H](NC(=O)N1CCC[C@H](CNC(N)=O)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000329705255 553992805 /nfs/dbraw/zinc/99/28/05/553992805.db2.gz KCHVWTTUINHZLU-XHSDSOJGSA-N 1 0 365.522 2.348 20 30 FEEDRO C[C@@H]1C[C@H](CCNC(=O)N2CCC([N@@H+]3CCO[C@H](C)C3)CC2)CCO1 ZINC000329753455 554000294 /nfs/dbraw/zinc/00/02/94/554000294.db2.gz KAIODPNPQBXJMI-BRWVUGGUSA-N 1 0 353.507 2.291 20 30 FEEDRO CCC[NH+]1CCC(NC(=O)N[C@H]2CCCN(c3ccc(C)nn3)C2)CC1 ZINC000329774911 554003625 /nfs/dbraw/zinc/00/36/25/554003625.db2.gz MPCKRAAOJDRSLG-KRWDZBQOSA-N 1 0 360.506 2.132 20 30 FEEDRO C[NH+]1CCC([C@H]2CCN(C(=O)NCCc3cn4c(n3)SCC4)C2)CC1 ZINC000329813475 554010936 /nfs/dbraw/zinc/01/09/36/554010936.db2.gz CTEVIKWBJMKQSB-HNNXBMFYSA-N 1 0 363.531 2.109 20 30 FEEDRO Cc1ccc(CNC(=O)N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)cn1 ZINC000329825554 554013190 /nfs/dbraw/zinc/01/31/90/554013190.db2.gz IDLKOWGMAOJIPD-UHFFFAOYSA-N 1 0 359.518 2.154 20 30 FEEDRO O=C(NCCc1cn2c(n1)SCC2)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000329844914 554017850 /nfs/dbraw/zinc/01/78/50/554017850.db2.gz LOMCPXCEEDLLIA-INIZCTEOSA-N 1 0 363.531 2.396 20 30 FEEDRO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CSC[C@H]1C(=O)Nc1ccc(C#N)cc1 ZINC000329867929 554021922 /nfs/dbraw/zinc/02/19/22/554021922.db2.gz WTPPNNAJJBRASV-CPUCHLNUSA-N 1 0 372.494 2.271 20 30 FEEDRO CCC[N@@H+]1CC[C@H](CNC(=O)N2CCO[C@H](c3nnc(C(C)C)o3)C2)C1 ZINC000329932586 554034496 /nfs/dbraw/zinc/03/44/96/554034496.db2.gz IUQRPPZTJIRUOS-CABCVRRESA-N 1 0 365.478 2.212 20 30 FEEDRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)c1ccc2nc(C(F)(F)F)cn2c1 ZINC000329940528 554035954 /nfs/dbraw/zinc/03/59/54/554035954.db2.gz UOXILCSAPLEASP-GFCCVEGCSA-N 1 0 369.391 2.294 20 30 FEEDRO Cc1nc(C#N)c(N2CCN(C(=O)C[NH2+]C(C)(C)c3ccccc3)CC2)o1 ZINC000507362495 561726373 /nfs/dbraw/zinc/72/63/73/561726373.db2.gz SVFHSCZGYMXEOK-UHFFFAOYSA-N 1 0 367.453 2.028 20 30 FEEDRO CN(Cc1ccccc1NC(=O)[C@@H]1CCCN1C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC000329959221 554039186 /nfs/dbraw/zinc/03/91/86/554039186.db2.gz QMKDHWJGLHBBRT-ROUUACIJSA-N 1 0 358.486 2.421 20 30 FEEDRO CCN1C(=O)CC[C@H](C(=O)N[C@H](C)C2=CC[N@H+](C)CC2)[C@@H]1c1cnn(C)c1 ZINC000329965015 554040373 /nfs/dbraw/zinc/04/03/73/554040373.db2.gz UERSEVSTDSSAJZ-LJHODMEESA-N 1 0 373.501 2.327 20 30 FEEDRO CC(=O)N1CC[C@H](NC(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000329980982 554043380 /nfs/dbraw/zinc/04/33/80/554043380.db2.gz MJWLVGUUWUULAQ-LPHOPBHVSA-N 1 0 358.486 2.118 20 30 FEEDRO O=C(NC1CC([NH+]2CCCCC2)C1)N1CCN(c2ncccc2F)CC1 ZINC000330001313 554047667 /nfs/dbraw/zinc/04/76/67/554047667.db2.gz XVGDIBZVKDCQCL-UHFFFAOYSA-N 1 0 361.465 2.274 20 30 FEEDRO O=C(Nc1cn(Cc2ccccc2)nn1)N1CC[NH+](C2CCCC2)CC1 ZINC000330007452 554048552 /nfs/dbraw/zinc/04/85/52/554048552.db2.gz FWNOJILYURXIQX-UHFFFAOYSA-N 1 0 354.458 2.432 20 30 FEEDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)N1CCC(c2nnc3n2CCCC3)CC1 ZINC000330020828 554050914 /nfs/dbraw/zinc/05/09/14/554050914.db2.gz AOLWOGLQHUXPCM-SJORKVTESA-N 1 0 372.517 2.335 20 30 FEEDRO C[C@@H]1C[C@H](NC(=O)c2cn([C@H]3CCOC3)nn2)C[N@@H+]1Cc1ccccc1 ZINC000330041731 554053741 /nfs/dbraw/zinc/05/37/41/554053741.db2.gz DFZGNYHVQFWMMF-PVAVHDDUSA-N 1 0 355.442 2.207 20 30 FEEDRO C[NH+](C)C1(CNC(=O)N2CCS(=O)(=O)c3ccccc3C2)CCCC1 ZINC000330043263 554054119 /nfs/dbraw/zinc/05/41/19/554054119.db2.gz CKENUJFOPXOUML-UHFFFAOYSA-N 1 0 365.499 2.064 20 30 FEEDRO O=C(Cn1c(=O)sc2ccccc2c1=O)NC1CC[NH+](C2CC2)CC1 ZINC000330048636 554055182 /nfs/dbraw/zinc/05/51/82/554055182.db2.gz ISODWINMPLKYOV-UHFFFAOYSA-N 1 0 359.451 2.007 20 30 FEEDRO O=C(Nc1cccc(C[NH+]2CCSCC2)c1)c1cn([C@@H]2CCOC2)nn1 ZINC000330052045 554055527 /nfs/dbraw/zinc/05/55/27/554055527.db2.gz OKZBDIYEAYJLLV-MRXNPFEDSA-N 1 0 373.482 2.425 20 30 FEEDRO O=C(Nc1cccc(C[NH+]2CCSCC2)c1)c1cn([C@H]2CCOC2)nn1 ZINC000330052044 554055741 /nfs/dbraw/zinc/05/57/41/554055741.db2.gz OKZBDIYEAYJLLV-INIZCTEOSA-N 1 0 373.482 2.425 20 30 FEEDRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N1CCC(c2nnc3n2CCCC3)CC1 ZINC000330092744 554063414 /nfs/dbraw/zinc/06/34/14/554063414.db2.gz QZKYPJFXMGRJTA-HNNXBMFYSA-N 1 0 372.517 2.192 20 30 FEEDRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)N1CCC(c2nnc3n2CCCC3)CC1 ZINC000330092745 554063502 /nfs/dbraw/zinc/06/35/02/554063502.db2.gz QZKYPJFXMGRJTA-OAHLLOKOSA-N 1 0 372.517 2.192 20 30 FEEDRO CS[C@@H]1CN(C(=O)CNC(=O)c2ccsc2)C[C@@H]1[NH+]1CCCC1 ZINC000330123002 554068525 /nfs/dbraw/zinc/06/85/25/554068525.db2.gz KOTAGRAURBRGTA-UONOGXRCSA-N 1 0 353.513 2.091 20 30 FEEDRO CCC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C)CC[N@@H+]1CCOC ZINC000507810779 561741633 /nfs/dbraw/zinc/74/16/33/561741633.db2.gz VLTIHNWCOSEHNY-SFHVURJKSA-N 1 0 368.485 2.291 20 30 FEEDRO Cc1nc(C2(NC(=O)Nc3ccn(C4CC[NH+](C)CC4)n3)CCCC2)no1 ZINC000330176263 554078823 /nfs/dbraw/zinc/07/88/23/554078823.db2.gz CDYIQRLQTCQLOT-UHFFFAOYSA-N 1 0 373.461 2.637 20 30 FEEDRO CC(=O)N[C@H](CC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)c1cccs1 ZINC000330190780 554081027 /nfs/dbraw/zinc/08/10/27/554081027.db2.gz MQUMVXCVEJDESH-HZPDHXFCSA-N 1 0 365.499 2.336 20 30 FEEDRO Cc1nc(N2CCN(C([O-])=[NH+][C@H]3CCn4ccnc4C3)CC2)sc1C ZINC000330198698 554083823 /nfs/dbraw/zinc/08/38/23/554083823.db2.gz UKQNPONYHOLZGF-AWEZNQCLSA-N 1 0 360.487 2.007 20 30 FEEDRO COc1cc(NC(=O)[C@H]2CCC[N@@H+]2C2CC2)ccc1NS(C)(=O)=O ZINC000330251608 554093614 /nfs/dbraw/zinc/09/36/14/554093614.db2.gz HTWXOIMBDGGFAA-CQSZACIVSA-N 1 0 353.444 2.282 20 30 FEEDRO CC[N@@H+]1C[C@H](C)N(C(=O)NCc2cc(C)nc(N3CCCC3)n2)C[C@@H]1C ZINC000330258479 554094445 /nfs/dbraw/zinc/09/44/45/554094445.db2.gz MLXQLYMBTFOIFR-HOTGVXAUSA-N 1 0 360.506 2.214 20 30 FEEDRO Cc1c([C@H]2OCC[C@@H]2NC(=O)NCC(C)(C)[NH+]2CCCCC2)cnn1C ZINC000330318579 554104622 /nfs/dbraw/zinc/10/46/22/554104622.db2.gz CLWHZKXTBWUMOM-DLBZAZTESA-N 1 0 363.506 2.327 20 30 FEEDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)N[C@H]1CCO[C@@H]1c1cnn(C)c1C ZINC000330337547 554107469 /nfs/dbraw/zinc/10/74/69/554107469.db2.gz UDABUAJPJQIQER-RYQLBKOJSA-N 1 0 363.506 2.327 20 30 FEEDRO C[C@@H](C#N)CN(C)S(=O)(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000330374806 554112966 /nfs/dbraw/zinc/11/29/66/554112966.db2.gz NEHGFUUUHXRGIU-INIZCTEOSA-N 1 0 364.515 2.098 20 30 FEEDRO CCN(C[C@H](C)C#N)S(=O)(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000330385921 554114382 /nfs/dbraw/zinc/11/43/82/554114382.db2.gz LSLXXITWTRUDBM-SQNIBIBYSA-N 1 0 370.563 2.299 20 30 FEEDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)Cc2cc(C#N)ccc2F)[C@@H](C)C1 ZINC000330588415 554142048 /nfs/dbraw/zinc/14/20/48/554142048.db2.gz YUWLLHFCSIUFLW-SUMWQHHRSA-N 1 0 353.463 2.189 20 30 FEEDRO CCOc1ccc(OC)cc1NC(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000330667822 554154104 /nfs/dbraw/zinc/15/41/04/554154104.db2.gz JEZUJANZDVFTKJ-UHFFFAOYSA-N 1 0 351.447 2.028 20 30 FEEDRO CC[C@@H](C)[C@H](NC(=O)N1CCCC1)C(=O)N1CC[NH+](CC(C)C)CC1 ZINC000330671637 554154697 /nfs/dbraw/zinc/15/46/97/554154697.db2.gz FLOASCFOVCXZFW-SJORKVTESA-N 1 0 352.523 2.211 20 30 FEEDRO CC(C)[N@H+](C)CCNC(=O)N[C@H]1C[C@H](C)S(=O)(=O)c2sccc21 ZINC000330894401 554183792 /nfs/dbraw/zinc/18/37/92/554183792.db2.gz ZPCHGQBKXSBEIE-AAEUAGOBSA-N 1 0 359.517 2.199 20 30 FEEDRO CCOc1ccc(C(=O)N(C)C)cc1NC(=O)N1CC[N@H+](C)[C@@H](C)[C@@H]1C ZINC000330895578 554184750 /nfs/dbraw/zinc/18/47/50/554184750.db2.gz SBRQSRONVZTJJA-KBPBESRZSA-N 1 0 362.474 2.357 20 30 FEEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2ccc(S(C)(=O)=O)s2)[C@H](C)C1 ZINC000330950326 554193083 /nfs/dbraw/zinc/19/30/83/554193083.db2.gz JLLMOQHUVOIHRB-OCCSQVGLSA-N 1 0 373.544 2.228 20 30 FEEDRO CCC[NH+]1CCC(N(C)C(=O)NCc2ccc(S(C)(=O)=O)s2)CC1 ZINC000330964675 554195250 /nfs/dbraw/zinc/19/52/50/554195250.db2.gz QZOBPXKVEYSJAP-UHFFFAOYSA-N 1 0 373.544 2.372 20 30 FEEDRO CCC[NH+]1CCC(NC(=O)Nc2ccc(NS(C)(=O)=O)cc2)CC1 ZINC000330996886 554199134 /nfs/dbraw/zinc/19/91/34/554199134.db2.gz XNQSLBNUQCSALG-UHFFFAOYSA-N 1 0 354.476 2.258 20 30 FEEDRO C=CCN(C)c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1CC=C ZINC000508729442 561771034 /nfs/dbraw/zinc/77/10/34/561771034.db2.gz FMNGGMYZLWPHLT-UHFFFAOYSA-N 1 0 366.513 2.451 20 30 FEEDRO C[NH+](C)C[C@H]1CCCN1S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000331225820 554233527 /nfs/dbraw/zinc/23/35/27/554233527.db2.gz FFERUMIBMRDEIF-GFCCVEGCSA-N 1 0 361.389 2.292 20 30 FEEDRO C=CCn1c([C@H](C)OCCOC)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000508810970 561773530 /nfs/dbraw/zinc/77/35/30/561773530.db2.gz FXQQOKADNWCBDH-IRXDYDNUSA-N 1 0 363.506 2.253 20 30 FEEDRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)Nc1ccc(C(N)=O)cc1F ZINC000331310177 554245536 /nfs/dbraw/zinc/24/55/36/554245536.db2.gz YQGXHKJMTAMJBK-NSHDSACASA-N 1 0 352.410 2.032 20 30 FEEDRO C=CCn1c(CC2CC2)nnc1N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000508886746 561776727 /nfs/dbraw/zinc/77/67/27/561776727.db2.gz DPKVSKBDGLABMU-UHFFFAOYSA-N 1 0 372.561 2.411 20 30 FEEDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000331471795 554270246 /nfs/dbraw/zinc/27/02/46/554270246.db2.gz IGBCGDJQMLKWSZ-BMIGLBTASA-N 1 0 373.400 2.338 20 30 FEEDRO C=C[C@H]1CCCC[N@@H+]1CC(=O)N1CCC(NC(=O)c2ccccc2)CC1 ZINC000331531394 554281083 /nfs/dbraw/zinc/28/10/83/554281083.db2.gz OYJVKFFRADELLB-IBGZPJMESA-N 1 0 355.482 2.448 20 30 FEEDRO C=C[C@@H]1CCCC[N@@H+]1CC(=O)N1CCC(NC(=O)c2ccccc2)CC1 ZINC000331531399 554281092 /nfs/dbraw/zinc/28/10/92/554281092.db2.gz OYJVKFFRADELLB-LJQANCHMSA-N 1 0 355.482 2.448 20 30 FEEDRO C[C@H](Oc1ccccc1C#N)C(=O)N1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000331998124 554360436 /nfs/dbraw/zinc/36/04/36/554360436.db2.gz BLFJYDWXNVSKEU-HOTGVXAUSA-N 1 0 357.454 2.037 20 30 FEEDRO Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N3C[C@H](C)[N@@H+](C)C[C@@H]3C)C2)n1 ZINC000509673213 561809907 /nfs/dbraw/zinc/80/99/07/561809907.db2.gz YJPSJPKOSZPUIK-BQFCYCMXSA-N 1 0 355.486 2.029 20 30 FEEDRO CC(C)[C@H]1CCc2c(sc(NC(=O)C(=O)N3CCC[C@H]([NH3+])C3)c2C#N)C1 ZINC000332315441 554423373 /nfs/dbraw/zinc/42/33/73/554423373.db2.gz IPAOIYAYETWUDY-STQMWFEESA-N 1 0 374.510 2.269 20 30 FEEDRO C[NH+](C)C[C@H](NC(=O)C(=O)Nc1ccc(F)c(C#N)c1)c1ccc(F)cc1 ZINC000510015143 561821890 /nfs/dbraw/zinc/82/18/90/561821890.db2.gz TXIFRCPSUGTQRE-KRWDZBQOSA-N 1 0 372.375 2.194 20 30 FEEDRO C[C@H]1[NH2+]CCC[C@H]1NC(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000332537411 554466279 /nfs/dbraw/zinc/46/62/79/554466279.db2.gz JMTSCKJMQDYKKT-CZUORRHYSA-N 1 0 361.877 2.184 20 30 FEEDRO C[NH+]1CCC2(CCCN2S(=O)(=O)Cc2ccc(F)cc2C#N)CC1 ZINC000333455883 554614977 /nfs/dbraw/zinc/61/49/77/554614977.db2.gz SRHVKJBOJFFCKB-UHFFFAOYSA-N 1 0 351.447 2.087 20 30 FEEDRO Cc1cc(N2CCN([C@@H]3CC[NH2+]C3)CC2)n2c3ccccc3nc2c1C#N ZINC000333564638 554623949 /nfs/dbraw/zinc/62/39/49/554623949.db2.gz RAZJCNIBBUYTCO-MRXNPFEDSA-N 1 0 360.465 2.152 20 30 FEEDRO COc1ccc(C[NH2+][C@@H]2CCN(c3ccccc3C(N)=O)C2)cc1C#N ZINC000359876198 554855969 /nfs/dbraw/zinc/85/59/69/554855969.db2.gz UHFSYADTCKNTQC-MRXNPFEDSA-N 1 0 350.422 2.034 20 30 FEEDRO CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H]2CCC[C@@H]3O[C@H](CC#N)C[C@H]32)ncn1 ZINC000360054777 554861513 /nfs/dbraw/zinc/86/15/13/554861513.db2.gz GHWUSVOMJTZJSJ-SFFUCWETSA-N 1 0 370.501 2.317 20 30 FEEDRO Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000613157138 554893908 /nfs/dbraw/zinc/89/39/08/554893908.db2.gz NSQVLCZNIFXZGY-MRXNPFEDSA-N 1 0 365.441 2.053 20 30 FEEDRO CN1CCC([NH+]2CCC(NC(=O)NCC#Cc3cccc(F)c3)CC2)CC1 ZINC000511479430 561870407 /nfs/dbraw/zinc/87/04/07/561870407.db2.gz UXHGIAAMNIUTSI-UHFFFAOYSA-N 1 0 372.488 2.035 20 30 FEEDRO C[C@@H]1CCC[N@H+](CCNC(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)C1 ZINC000362710095 554983215 /nfs/dbraw/zinc/98/32/15/554983215.db2.gz HXHJZUFAOGDMTB-VQIMIIECSA-N 1 0 356.470 2.373 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)[C@H]2CCCN(c3nc(C)ccc3C#N)C2)CC1 ZINC000362878731 554995474 /nfs/dbraw/zinc/99/54/74/554995474.db2.gz SKXCFVFWTUIXNB-SFHVURJKSA-N 1 0 367.497 2.245 20 30 FEEDRO C[NH+]1CCC(CNC(=O)NCC2CCN(c3ccccc3C#N)CC2)CC1 ZINC000362888868 554996226 /nfs/dbraw/zinc/99/62/26/554996226.db2.gz NIGRQPZFCGGZRL-UHFFFAOYSA-N 1 0 369.513 2.416 20 30 FEEDRO N#Cc1ccc(NC(=O)CC[N@@H+]2CCCN(C(=O)c3ccc[nH]3)CC2)cc1 ZINC000363200664 555052102 /nfs/dbraw/zinc/05/21/02/555052102.db2.gz NXUCLCLLCSSRLL-UHFFFAOYSA-N 1 0 365.437 2.063 20 30 FEEDRO C#Cc1cccc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](C)[C@H]2c2cccs2)c1 ZINC000363250079 555063413 /nfs/dbraw/zinc/06/34/13/555063413.db2.gz ISJXMYASEGCKLY-MAUKXSAKSA-N 1 0 367.474 2.477 20 30 FEEDRO C[C@H](Oc1ccccc1C#N)C(=O)N[C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@@H]1C ZINC000363418149 555100627 /nfs/dbraw/zinc/10/06/27/555100627.db2.gz MVIXZKQAVXEZDU-RNIPGJKVSA-N 1 0 371.481 2.331 20 30 FEEDRO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1NC(=O)CCc1ccc(C#N)cc1 ZINC000363424119 555102318 /nfs/dbraw/zinc/10/23/18/555102318.db2.gz OSVXWEXWXJLWKZ-UXPWSPDFSA-N 1 0 355.482 2.496 20 30 FEEDRO N#Cc1ccccc1NC(=O)CC[N@@H+]1CCCN(C(=O)c2ccc[nH]2)CC1 ZINC000363457797 555110893 /nfs/dbraw/zinc/11/08/93/555110893.db2.gz OHJWRHRWULABEM-UHFFFAOYSA-N 1 0 365.437 2.063 20 30 FEEDRO CC[NH+](CC)[C@@H](C)CNC(=O)[C@H]1CCCN(c2nc(C)ccc2C#N)C1 ZINC000363587954 555142540 /nfs/dbraw/zinc/14/25/40/555142540.db2.gz FKLMMNPFIGIEAV-WMZOPIPTSA-N 1 0 357.502 2.325 20 30 FEEDRO C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1NC(=O)Cc1ccc(OCC#N)cc1 ZINC000363663957 555159115 /nfs/dbraw/zinc/15/91/15/555159115.db2.gz VYGHXMJIHWCEGB-NSISKUIASA-N 1 0 371.481 2.137 20 30 FEEDRO COCc1nccc([C@H]2CCC[N@H+](C[C@H](O)c3ccc(C#N)cc3)C2)n1 ZINC000364406235 555307712 /nfs/dbraw/zinc/30/77/12/555307712.db2.gz RTZCAFNFMUGKPA-HKUYNNGSSA-N 1 0 352.438 2.408 20 30 FEEDRO Cc1ccc(N(CCC#N)C(=O)CN2CCCC[C@@H]2C(=[NH2+])NO)cc1C ZINC000364416225 555309524 /nfs/dbraw/zinc/30/95/24/555309524.db2.gz ONYSUTJCDYZBNC-QGZVFWFLSA-N 1 0 357.458 2.361 20 30 FEEDRO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC[C@]2(C1)c1ccccc1NC2=O ZINC000364434592 555313453 /nfs/dbraw/zinc/31/34/53/555313453.db2.gz NNPZYNIIESYWPF-VFNWGFHPSA-N 1 0 366.465 2.313 20 30 FEEDRO Cc1cc(NC(=O)N2CC[C@H]([NH+]3CCCC3)C2)nn1-c1cccc(C#N)c1 ZINC000364506350 555325772 /nfs/dbraw/zinc/32/57/72/555325772.db2.gz GFNYVLZHDLNOFD-SFHVURJKSA-N 1 0 364.453 2.754 20 30 FEEDRO N#Cc1ccc(CN2CC[C@@H]([NH2+]Cc3ccc(-n4cncn4)cc3)C2=O)cc1 ZINC000364599807 555349315 /nfs/dbraw/zinc/34/93/15/555349315.db2.gz FTWLILNSUFWKTJ-HXUWFJFHSA-N 1 0 372.432 2.030 20 30 FEEDRO COc1cc(C[NH2+][C@@H](C)c2ccc(C#N)cc2F)ccc1OCC(N)=O ZINC000512642927 561911049 /nfs/dbraw/zinc/91/10/49/561911049.db2.gz UGVACTHVCLQSBM-LBPRGKRZSA-N 1 0 357.385 2.421 20 30 FEEDRO C[C@@H]([NH2+]C[C@H](O)CN1CCOCC1)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000364931154 555441465 /nfs/dbraw/zinc/44/14/65/555441465.db2.gz BFWCLRYEVBJZAL-PBHICJAKSA-N 1 0 372.494 2.025 20 30 FEEDRO N#Cc1cccnc1N1CCC[N@@H+](CCOCC(F)(F)C(F)F)CC1 ZINC000364963592 555451825 /nfs/dbraw/zinc/45/18/25/555451825.db2.gz UGEIWJYPFUHWAU-UHFFFAOYSA-N 1 0 360.355 2.382 20 30 FEEDRO COCC[NH+](CCOC)C1CCN(Cc2ccc(C#N)cc2OC)CC1 ZINC000512828054 561916796 /nfs/dbraw/zinc/91/67/96/561916796.db2.gz MNTIBRXIHOTOLT-UHFFFAOYSA-N 1 0 361.486 2.126 20 30 FEEDRO C=CCOc1ccccc1C[NH2+]C[C@@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000512909103 561919630 /nfs/dbraw/zinc/91/96/30/561919630.db2.gz RUZVAASHKSHNDF-DOTOQJQBSA-N 1 0 352.500 2.449 20 30 FEEDRO COc1cccc(C(=O)NC2CC[NH+](Cc3cc(C#N)n(C)c3)CC2)c1 ZINC000365239480 555519635 /nfs/dbraw/zinc/51/96/35/555519635.db2.gz FRGVZTLMBVARBI-UHFFFAOYSA-N 1 0 352.438 2.300 20 30 FEEDRO C[N@H+](CCC(=O)Nc1sccc1C#N)C1CCN(c2cnccn2)CC1 ZINC000365510019 555594679 /nfs/dbraw/zinc/59/46/79/555594679.db2.gz FOKFOWJUIHSOOH-UHFFFAOYSA-N 1 0 370.482 2.339 20 30 FEEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000365545797 555605163 /nfs/dbraw/zinc/60/51/63/555605163.db2.gz KGCNJXGEEPVJAS-IPELMVKDSA-N 1 0 368.481 2.151 20 30 FEEDRO C[N@@H+]1C[C@@H]2CN(C(=O)C(=O)Nc3cccc(C#N)c3)C[C@H]2[C@@H]1c1ccccc1 ZINC000365689739 555641373 /nfs/dbraw/zinc/64/13/73/555641373.db2.gz BQUIMHYZVURWOX-RLLQIKCJSA-N 1 0 374.444 2.258 20 30 FEEDRO C[C@H]1C[C@H](NC(=O)N2CCCN(c3ccc(C#N)cc3)CC2)C[N@@H+]1C1CC1 ZINC000365925479 555702440 /nfs/dbraw/zinc/70/24/40/555702440.db2.gz WYSOPOYUAYPTFY-WMZOPIPTSA-N 1 0 367.497 2.405 20 30 FEEDRO Cc1ccc(C#N)cc1NC(=O)N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000366099757 555750934 /nfs/dbraw/zinc/75/09/34/555750934.db2.gz ZSONFHSQODXXJP-GOSISDBHSA-N 1 0 355.486 2.499 20 30 FEEDRO CCOc1cc(C[NH+]2CCC(NC(=O)c3c[nH]c(C#N)c3)CC2)ccc1O ZINC000366413266 555836578 /nfs/dbraw/zinc/83/65/78/555836578.db2.gz JRHHFBSVBDZTTP-UHFFFAOYSA-N 1 0 368.437 2.385 20 30 FEEDRO C#CC[C@H](NC(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1)c1ccccc1 ZINC000367030661 556000388 /nfs/dbraw/zinc/00/03/88/556000388.db2.gz ROFUTISSXOWLTR-HLAWJBBLSA-N 1 0 368.525 2.418 20 30 FEEDRO C=CCN1CC[C@H]([NH+]2CCC3(C[C@@H]3c3nnc4n3CCCCC4)CC2)C1=O ZINC000367181773 556003116 /nfs/dbraw/zinc/00/31/16/556003116.db2.gz SLJAFXCQJHGZSQ-SJORKVTESA-N 1 0 369.513 2.361 20 30 FEEDRO CCCN(CC[NH+]1CCCCCC1)S(=O)(=O)c1cccnc1C#N ZINC000514687725 561974144 /nfs/dbraw/zinc/97/41/44/561974144.db2.gz WDUCTJYYDKVKRU-UHFFFAOYSA-N 1 0 350.488 2.230 20 30 FEEDRO N#Cc1ccc2ncc(C[NH2+][C@@H]3CCN(C(=O)Cc4ccccc4)C3)n2c1 ZINC000367411026 556041434 /nfs/dbraw/zinc/04/14/34/556041434.db2.gz VHVZDBPJUSOQFP-GOSISDBHSA-N 1 0 359.433 2.139 20 30 FEEDRO Cc1cccc(N(CCC#N)C(=O)C[NH2+][C@@H]2CCC(=O)N[C@@H]2C2CC2)c1C ZINC000367460131 556056784 /nfs/dbraw/zinc/05/67/84/556056784.db2.gz YQIUXQVPSWTVLL-DYESRHJHSA-N 1 0 368.481 2.197 20 30 FEEDRO COCC[N@H+]([C@@H]1CCO[C@H]1C)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000514838990 561982482 /nfs/dbraw/zinc/98/24/82/561982482.db2.gz UDCJNTVWYLZFIA-KFKAGJAMSA-N 1 0 357.454 2.179 20 30 FEEDRO CN(C(=O)c1cc(C#N)ccc1Cl)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000367586396 556089962 /nfs/dbraw/zinc/08/99/62/556089962.db2.gz OVQRFJRWESIMTF-INIZCTEOSA-N 1 0 360.889 2.452 20 30 FEEDRO C[C@@H]1C[C@@H](C)C[NH+](C2CCN(S(=O)(=O)c3ccc(C#N)o3)CC2)C1 ZINC000367745432 556128391 /nfs/dbraw/zinc/12/83/91/556128391.db2.gz FKQFJRYTIFDROC-ZIAGYGMSSA-N 1 0 351.472 2.282 20 30 FEEDRO C[NH+](C)[C@@H]1CCN(C(=O)C2CCN(c3c(F)cc(C#N)cc3F)CC2)C1 ZINC000367761782 556132618 /nfs/dbraw/zinc/13/26/18/556132618.db2.gz USEBSTTYJICLSV-OAHLLOKOSA-N 1 0 362.424 2.215 20 30 FEEDRO C[C@@H]1C[C@@H]([NH2+]C[C@H](O)COc2ccc(C#N)cc2)C(=O)N1c1ccccc1 ZINC000514933602 561987393 /nfs/dbraw/zinc/98/73/93/561987393.db2.gz UXDFFUCAUUBXON-MOXGXCLJSA-N 1 0 365.433 2.082 20 30 FEEDRO C[C@H](CO)[N@@H+]1CCCN(Cc2ccc(Br)cc2C#N)CC1 ZINC000367874729 556161551 /nfs/dbraw/zinc/16/15/51/556161551.db2.gz PMHRZDJQMQKCTJ-CYBMUJFWSA-N 1 0 352.276 2.209 20 30 FEEDRO C=CCNc1ncc(C(=O)N2CC3(CCCC3)OC[C@@H]2C[NH+](C)C)s1 ZINC000622185467 556243693 /nfs/dbraw/zinc/24/36/93/556243693.db2.gz DPPQDNJEUYPYDS-AWEZNQCLSA-N 1 0 364.515 2.456 20 30 FEEDRO COc1cccc(CC[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)c1OC ZINC000515194573 562000063 /nfs/dbraw/zinc/00/00/63/562000063.db2.gz BLLHMSQCLICLHC-UHFFFAOYSA-N 1 0 374.462 2.181 20 30 FEEDRO C[C@H](N[C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@@H]1C)C(=O)Nc1ccccc1C#N ZINC000368417262 556302268 /nfs/dbraw/zinc/30/22/68/556302268.db2.gz QMESTDBXNWCCAR-RNIPGJKVSA-N 1 0 370.497 2.364 20 30 FEEDRO N#CC[C@@H]1C[C@H]2[C@@H](CCC[C@@H]2[NH2+]Cc2cccc(N3CCOCC3)n2)O1 ZINC000368417909 556302765 /nfs/dbraw/zinc/30/27/65/556302765.db2.gz VACCKAWHSDYNBK-AKHDSKFASA-N 1 0 356.470 2.248 20 30 FEEDRO CC(C)(C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1)c1cc(F)cc(C#N)c1 ZINC000368612053 556362232 /nfs/dbraw/zinc/36/22/32/556362232.db2.gz GADZRXQRKVUEHT-GOSISDBHSA-N 1 0 359.445 2.344 20 30 FEEDRO CCC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1CC(=O)NCc1ccc(C#N)cc1 ZINC000368669282 556379845 /nfs/dbraw/zinc/37/98/45/556379845.db2.gz ODHDQIKBESKVHU-RTBURBONSA-N 1 0 368.481 2.040 20 30 FEEDRO CCC(=O)N1CCC[C@H]1[C@H]1CCC[N@@H+]1CC(=O)NCc1ccc(C#N)cc1 ZINC000368669279 556379922 /nfs/dbraw/zinc/37/99/22/556379922.db2.gz ODHDQIKBESKVHU-MOPGFXCFSA-N 1 0 368.481 2.040 20 30 FEEDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)NC1CCN(c2ccc(C#N)cn2)CC1 ZINC000368942912 556454498 /nfs/dbraw/zinc/45/44/98/556454498.db2.gz REQMADIPAKCZFS-INIZCTEOSA-N 1 0 370.501 2.096 20 30 FEEDRO N#Cc1c(NC(=O)CC[N@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)sc2c1CCC2 ZINC000368967205 556462030 /nfs/dbraw/zinc/46/20/30/556462030.db2.gz VSWNDAPZHKTZLW-XWCIJXRUSA-N 1 0 372.494 2.023 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2cccc(N3CCC3=O)c2)CC1 ZINC000515825618 562022817 /nfs/dbraw/zinc/02/28/17/562022817.db2.gz GYLJCEMQOSTBMH-UHFFFAOYSA-N 1 0 356.470 2.263 20 30 FEEDRO C=CCNC(=O)C[NH+]1CCC([C@H]2CCCCCN2C(=O)NC(C)C)CC1 ZINC000369158095 556520479 /nfs/dbraw/zinc/52/04/79/556520479.db2.gz VVSUNIFJPBTYOW-GOSISDBHSA-N 1 0 364.534 2.363 20 30 FEEDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N1CCN(c2cnccc2C#N)CC1 ZINC000515952955 562026378 /nfs/dbraw/zinc/02/63/78/562026378.db2.gz RNENVTIVYJQPBY-GOSISDBHSA-N 1 0 370.501 2.049 20 30 FEEDRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@@H](Oc2ccccc2C#N)C(C)C)C1 ZINC000515970346 562026824 /nfs/dbraw/zinc/02/68/24/562026824.db2.gz MGFPQBBKOUUFCZ-QUCCMNQESA-N 1 0 373.497 2.435 20 30 FEEDRO Cc1nc(CN2CCC[C@H]([NH2+]Cc3ccc(O[C@@H](C)C#N)cc3)C2)no1 ZINC000369269868 556557131 /nfs/dbraw/zinc/55/71/31/556557131.db2.gz XCBWMLMUWBKAAX-YOEHRIQHSA-N 1 0 355.442 2.423 20 30 FEEDRO COc1ccc([C@H](CCC#N)[NH2+]C[C@H]2CCC[C@@]23NC(=O)N(C)C3=O)cc1 ZINC000369322330 556574449 /nfs/dbraw/zinc/57/44/49/556574449.db2.gz QRUHYAFLZOFPFS-OXFYSEKESA-N 1 0 370.453 2.350 20 30 FEEDRO C=CCOc1ccccc1CNC(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000369372560 556583029 /nfs/dbraw/zinc/58/30/29/556583029.db2.gz JZVRRBUBYUNKDW-SFHVURJKSA-N 1 0 372.513 2.219 20 30 FEEDRO N#Cc1ncn(C2CC[NH+](CCC(=O)Nc3ccccc3Cl)CC2)n1 ZINC000369389910 556587920 /nfs/dbraw/zinc/58/79/20/556587920.db2.gz UKSVMJKBTDEKIN-UHFFFAOYSA-N 1 0 358.833 2.469 20 30 FEEDRO C=CCC[C@H](CC)[NH2+]C[C@@H]1CCn2ncc(C(=O)N3CCN(C)CC3)c2C1 ZINC000369515482 556617385 /nfs/dbraw/zinc/61/73/85/556617385.db2.gz JPGWFMWGOHJXCJ-MSOLQXFVSA-N 1 0 373.545 2.168 20 30 FEEDRO C[NH+]1CCC(n2ccc(=NC(=O)N(CCC#N)Cc3ccco3)[nH]2)CC1 ZINC000369681096 556666878 /nfs/dbraw/zinc/66/68/78/556666878.db2.gz HYEQGPLGXMNMBX-UHFFFAOYSA-N 1 0 356.430 2.691 20 30 FEEDRO C=C(C)[C@H]1OCCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@@H]1C ZINC000369682575 556667499 /nfs/dbraw/zinc/66/74/99/556667499.db2.gz FRQVKZJZXYZOSJ-NTZUZEMLSA-N 1 0 350.503 2.363 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)[C@@H]2CCC(=O)N(C)[C@@H]2c2cccs2)CC1 ZINC000369755730 556686253 /nfs/dbraw/zinc/68/62/53/556686253.db2.gz ASFZOAQPFVPADF-APWZRJJASA-N 1 0 373.522 2.262 20 30 FEEDRO C[C@H]1CC[N@H+](Cc2ccccc2)CCN1CC(=O)N[C@](C)(C#N)C1CC1 ZINC000370009013 556756031 /nfs/dbraw/zinc/75/60/31/556756031.db2.gz JMMBKPDNRJWWNK-LAUBAEHRSA-N 1 0 354.498 2.391 20 30 FEEDRO C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000370009014 556756367 /nfs/dbraw/zinc/75/63/67/556756367.db2.gz JMMBKPDNRJWWNK-UTKZUKDTSA-N 1 0 354.498 2.391 20 30 FEEDRO CO/N=C/c1ccc(C(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)cc1 ZINC000370231800 556817946 /nfs/dbraw/zinc/81/79/46/556817946.db2.gz FVYIAHAQUAZXCH-YMCCZSAESA-N 1 0 369.469 2.213 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N2C[C@@H](C)OC3(CCOCC3)C2)CC1 ZINC000370510488 556895418 /nfs/dbraw/zinc/89/54/18/556895418.db2.gz XMZODPDDSFVTCH-MRXNPFEDSA-N 1 0 351.491 2.006 20 30 FEEDRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2C(=O)C(C)(C)Oc1ccc(C#N)cc1 ZINC000370834587 556983966 /nfs/dbraw/zinc/98/39/66/556983966.db2.gz YDZLROIQVDNFNE-NEWSRXKRSA-N 1 0 371.481 2.426 20 30 FEEDRO Cn1cc([C@@H]2[C@@H](CNC(=O)CCc3ccc(C#N)cc3)CCC[N@@H+]2C)cn1 ZINC000370905501 557010590 /nfs/dbraw/zinc/01/05/90/557010590.db2.gz PSIDMGXHFBKIMD-NQIIRXRSSA-N 1 0 365.481 2.424 20 30 FEEDRO Cc1ncc(C[N@@H+]2CC[C@@H](NC(=O)C3(C#N)CCOCC3)[C@H](C)C2)s1 ZINC000370960505 557028593 /nfs/dbraw/zinc/02/85/93/557028593.db2.gz GTFSFGGPMVTZAS-CZUORRHYSA-N 1 0 362.499 2.099 20 30 FEEDRO C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCC([N@@H+]2CCOC[C@@H]2C)CC1 ZINC000517214123 562079754 /nfs/dbraw/zinc/07/97/54/562079754.db2.gz ZFFCYBABMWKHNW-HOTGVXAUSA-N 1 0 356.470 2.070 20 30 FEEDRO CN(c1ccccc1CN1CCN(C2CC2)[C@H](C#N)C1)C1CC[NH+](C)CC1 ZINC000371326377 557147239 /nfs/dbraw/zinc/14/72/39/557147239.db2.gz IQBKTPNLKPBEEN-OAQYLSRUSA-N 1 0 367.541 2.389 20 30 FEEDRO C[C@H](NC(=O)C(C)(C)C)C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000371526870 557210184 /nfs/dbraw/zinc/21/01/84/557210184.db2.gz GAJLTDRWYLKOOE-INIZCTEOSA-N 1 0 370.497 2.212 20 30 FEEDRO N#Cc1ccc(SCC(=O)NC[C@H]2CCC[C@H]2[NH+]2CCOCC2)cc1 ZINC000371562298 557223236 /nfs/dbraw/zinc/22/32/36/557223236.db2.gz DFUMFYCJLVBKPL-SJLPKXTDSA-N 1 0 359.495 2.267 20 30 FEEDRO CC[NH+]1CCN(c2ccc(CNC(=O)[C@]3(C#N)CC34CCCC4)cn2)CC1 ZINC000518077397 562103831 /nfs/dbraw/zinc/10/38/31/562103831.db2.gz WXQGERCXXXPRQR-OAQYLSRUSA-N 1 0 367.497 2.314 20 30 FEEDRO CC1CC[NH+](CC2CCN(C(=O)C(=O)Nc3ccc(C#N)cc3)CC2)CC1 ZINC000371830409 557305582 /nfs/dbraw/zinc/30/55/82/557305582.db2.gz ITLNXBHVDBMHEI-UHFFFAOYSA-N 1 0 368.481 2.467 20 30 FEEDRO CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CC(=O)Nc3sc(C)c(C)c3C#N)[C@H]2C1 ZINC000518828279 562119493 /nfs/dbraw/zinc/11/94/93/562119493.db2.gz FUVHKCNYTNRPMY-BHYGNILZSA-N 1 0 374.510 2.412 20 30 FEEDRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]CC(=O)Nc3sc(C)c(C)c3C#N)[C@H]2C1 ZINC000518828282 562119511 /nfs/dbraw/zinc/11/95/11/562119511.db2.gz FUVHKCNYTNRPMY-XIRDDKMYSA-N 1 0 374.510 2.412 20 30 FEEDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000372341414 557444590 /nfs/dbraw/zinc/44/45/90/557444590.db2.gz BSFIYBCRFRYNMZ-NIKGAXFTSA-N 1 0 354.454 2.124 20 30 FEEDRO C#CCOc1cc(F)ccc1NC(=O)N1CCC[N@@H+](CCCOC)CC1 ZINC000372645118 557528230 /nfs/dbraw/zinc/52/82/30/557528230.db2.gz RASPHBOPPFHDOS-UHFFFAOYSA-N 1 0 363.433 2.414 20 30 FEEDRO C[C@@](C#N)(NC(=O)C[N@H+](Cc1cccc(O)c1)[C@H]1CC[C@H](O)CC1)C1CC1 ZINC000519600562 562136551 /nfs/dbraw/zinc/13/65/51/562136551.db2.gz CFHMITIQTQUXMY-WFXMLNOXSA-N 1 0 371.481 2.306 20 30 FEEDRO C#CCOc1ccc([C@H](C)[NH2+]C[C@@H]2CC(=O)N(C)[C@H]2c2cnn(C)c2)cc1 ZINC000372878094 557580864 /nfs/dbraw/zinc/58/08/64/557580864.db2.gz MUYMNNJJWKNILT-HZUJVAHNSA-N 1 0 366.465 2.302 20 30 FEEDRO CN(CCC#N)C(=O)CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C1CCCC1 ZINC000373156874 557640663 /nfs/dbraw/zinc/64/06/63/557640663.db2.gz WLULKJTYJVMRCP-OALUTQOASA-N 1 0 374.529 2.394 20 30 FEEDRO CCOc1ccc(C#N)cc1NC(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000373297894 557668116 /nfs/dbraw/zinc/66/81/16/557668116.db2.gz CHJWNYIMMVFINB-UHFFFAOYSA-N 1 0 368.441 3.064 20 30 FEEDRO N#Cc1ccsc1NC(=O)CC[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000373586221 557723695 /nfs/dbraw/zinc/72/36/95/557723695.db2.gz RCWNGLVMDYVKHC-CYBMUJFWSA-N 1 0 374.426 2.390 20 30 FEEDRO CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000373965153 557797991 /nfs/dbraw/zinc/79/79/91/557797991.db2.gz NVJHDYZMNAWXKK-AQNXPRMDSA-N 1 0 366.465 2.139 20 30 FEEDRO CCOC(=O)[C@]1(COC)CCC[N@H+](CCCC2(C#N)CCOCC2)C1 ZINC000374171101 557836871 /nfs/dbraw/zinc/83/68/71/557836871.db2.gz IFDUOKPDNFZOPY-LJQANCHMSA-N 1 0 352.475 2.379 20 30 FEEDRO COc1cc(C#N)ccc1OCC[N@@H+]1CCC[C@H]1[C@H]1CCCN1C(C)=O ZINC000374175772 557837885 /nfs/dbraw/zinc/83/78/85/557837885.db2.gz PHZQHISQGMRVHW-ZWKOTPCHSA-N 1 0 357.454 2.421 20 30 FEEDRO COc1cc(C[NH+]2CCC(CC(=O)N3CCOCC3)CC2)ccc1C#N ZINC000374204093 557843146 /nfs/dbraw/zinc/84/31/46/557843146.db2.gz HIHAWPKCMZAFED-UHFFFAOYSA-N 1 0 357.454 2.028 20 30 FEEDRO C=CCOc1ccccc1C(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000374284537 557857859 /nfs/dbraw/zinc/85/78/59/557857859.db2.gz AFKOZQBQUHCSJI-PKOBYXMFSA-N 1 0 357.498 2.349 20 30 FEEDRO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCC[C@@H]1[C@H](O)c1ccc(OC)cc1 ZINC000374398495 557878851 /nfs/dbraw/zinc/87/88/51/557878851.db2.gz KCPGYDBTHUHDCP-XFQXTVEOSA-N 1 0 359.470 2.201 20 30 FEEDRO CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCC([N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000374456529 557886291 /nfs/dbraw/zinc/88/62/91/557886291.db2.gz MYEMAJCZWCRTMP-BBWFWOEESA-N 1 0 370.563 2.155 20 30 FEEDRO Cn1cc([C@H]2[C@H](CNC(=O)N3CCC(C)(C#N)CC3)CCC[N@@H+]2C)cn1 ZINC000374804761 557934207 /nfs/dbraw/zinc/93/42/07/557934207.db2.gz DHARSUIESADFAI-DOTOQJQBSA-N 1 0 358.490 2.138 20 30 FEEDRO Cn1cc(CCC(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000374876896 557944741 /nfs/dbraw/zinc/94/47/41/557944741.db2.gz OMDLHBMSLKUVPD-UHFFFAOYSA-N 1 0 351.454 2.027 20 30 FEEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1CC[C@H]2CC[N@H+](C)[C@@H]2C1 ZINC000375019463 557965241 /nfs/dbraw/zinc/96/52/41/557965241.db2.gz LDAKWYAREXARSC-YQVWRLOYSA-N 1 0 370.497 2.356 20 30 FEEDRO C=CCc1ccc(OC[C@H](O)CN2CC[C@H]3CC[N@H+](C)[C@@H]3C2)c(OC)c1 ZINC000375028307 557966452 /nfs/dbraw/zinc/96/64/52/557966452.db2.gz CFOVCQMEYJXRGQ-GUDVDZBRSA-N 1 0 360.498 2.189 20 30 FEEDRO N#Cc1ccc(C(=O)NCC2([NH+]3CCCCC3)CCOCC2)nc1Cl ZINC000375139684 557982779 /nfs/dbraw/zinc/98/27/79/557982779.db2.gz AFQJKIWDOOJWSY-UHFFFAOYSA-N 1 0 362.861 2.372 20 30 FEEDRO Cc1cc(NC(=O)N(C)CC[N@H+](C)C2CC2)nn1-c1cccc(C#N)c1 ZINC000375335906 558011179 /nfs/dbraw/zinc/01/11/79/558011179.db2.gz YDAARYFOVNHEQL-UHFFFAOYSA-N 1 0 352.442 2.610 20 30 FEEDRO C#CC[C@H](C)NC(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1c1cnn(C)c1 ZINC000375466304 558032206 /nfs/dbraw/zinc/03/22/06/558032206.db2.gz SXHVBQODBFBXRI-DBVUQKKJSA-N 1 0 350.466 2.164 20 30 FEEDRO N#Cc1ccc(NC(=O)CC[NH2+][C@H]2CCCC[C@@H]2N2CCOCC2)cc1 ZINC000375467123 558032613 /nfs/dbraw/zinc/03/26/13/558032613.db2.gz AZSOVLIIEPSEQL-OALUTQOASA-N 1 0 356.470 2.120 20 30 FEEDRO Cc1ncc(CN2CC[C@@H]([NH2+]CCC(=O)N(C)CCC#N)[C@H](C)C2)s1 ZINC000375509062 558040299 /nfs/dbraw/zinc/04/02/99/558040299.db2.gz KBYAZLDOUJCYEQ-RHSMWYFYSA-N 1 0 363.531 2.014 20 30 FEEDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000375691575 558068138 /nfs/dbraw/zinc/06/81/38/558068138.db2.gz XFBYDUYSIFWKJW-GXTWGEPZSA-N 1 0 353.875 2.459 20 30 FEEDRO N#Cc1ccc(N2CCC[C@@H]([N@@H+]3CCCC[C@H]3Cn3ccnn3)C2=O)cc1 ZINC000375692293 558068385 /nfs/dbraw/zinc/06/83/85/558068385.db2.gz OTLZIJKXTPEAEI-RBUKOAKNSA-N 1 0 364.453 2.200 20 30 FEEDRO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3cccnc3)no2)C1 ZINC000375971484 558107556 /nfs/dbraw/zinc/10/75/56/558107556.db2.gz ADZDWVOMYWDNMQ-AKCHCHLHSA-N 1 0 367.453 2.176 20 30 FEEDRO CCOC(=O)C1(COC)CC[NH+](CCCC2(C#N)CCOCC2)CC1 ZINC000376003575 558112552 /nfs/dbraw/zinc/11/25/52/558112552.db2.gz NAIDMOIEIOCNQD-UHFFFAOYSA-N 1 0 352.475 2.379 20 30 FEEDRO CC(C)(O)C[N@@H+]1CCCN(C(=O)C(C)(C)c2cc(F)cc(C#N)c2)CC1 ZINC000376073405 558123067 /nfs/dbraw/zinc/12/30/67/558123067.db2.gz HZIQGDJTVNAPQH-UHFFFAOYSA-N 1 0 361.461 2.280 20 30 FEEDRO C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1Nc1cc(N)c([N+](=O)[O-])c(C#N)c1 ZINC000376175337 558137014 /nfs/dbraw/zinc/13/70/14/558137014.db2.gz VYONAFTYOKXECS-VMGRFDJRSA-N 1 0 359.430 2.350 20 30 FEEDRO C[C@H]1C[C@H](CNS(=O)(=O)c2ccc(C#N)o2)C[N@@H+]1Cc1ccccc1 ZINC000376318752 558157332 /nfs/dbraw/zinc/15/73/32/558157332.db2.gz BERRJIZSPOIIHS-GOEBONIOSA-N 1 0 359.451 2.340 20 30 FEEDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000376361861 558162965 /nfs/dbraw/zinc/16/29/65/558162965.db2.gz ZTBKGQHHJSEAJH-IUODEOHRSA-N 1 0 353.875 2.459 20 30 FEEDRO C[C@H]1CN(c2nc3cc(Cl)ccn3c2C#N)CCN1C1CC[NH+](C)CC1 ZINC000376449176 558174585 /nfs/dbraw/zinc/17/45/85/558174585.db2.gz LXXCRUXMXMUGCN-AWEZNQCLSA-N 1 0 372.904 2.464 20 30 FEEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)N1CC[C@@H]([NH+]2CCCC2)[C@H]1C ZINC000376525380 558185599 /nfs/dbraw/zinc/18/55/99/558185599.db2.gz DNQYLLMJCBRACM-IEBWSBKVSA-N 1 0 357.502 2.431 20 30 FEEDRO CCc1nc(CN2C[C@H]3C[NH+](Cc4cc(C#N)ccc4F)C[C@@H]3C2)no1 ZINC000377431884 558339465 /nfs/dbraw/zinc/33/94/65/558339465.db2.gz KPRUROXFHDYGPF-HZPDHXFCSA-N 1 0 355.417 2.207 20 30 FEEDRO C=CCOc1ccc(/C=C/C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1OC ZINC000377472992 558346993 /nfs/dbraw/zinc/34/69/93/558346993.db2.gz PZWIBOOHIXICIC-IIMRFPQDSA-N 1 0 372.465 2.253 20 30 FEEDRO CC(C)(C#N)CCS(=O)(=O)N1C[C@H]2[C@@H](CC[N@@H+]2Cc2ccccc2)C1 ZINC000377835728 558431977 /nfs/dbraw/zinc/43/19/77/558431977.db2.gz WAZZWDSDTXZAAW-ROUUACIJSA-N 1 0 361.511 2.462 20 30 FEEDRO COC(=O)c1ccc(CN2C[C@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)cc1 ZINC000378285139 558519729 /nfs/dbraw/zinc/51/97/29/558519729.db2.gz HTGDTVLZDALJNL-KKSFZXQISA-N 1 0 361.401 2.319 20 30 FEEDRO C[C@@]1(C2CC[NH+](Cc3cccc(OCCCC#N)c3)CC2)NC(=O)NC1=O ZINC000378339104 558533108 /nfs/dbraw/zinc/53/31/08/558533108.db2.gz DOKSMDZYHRZOIL-FQEVSTJZSA-N 1 0 370.453 2.179 20 30 FEEDRO C[C@H](C(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1)n1cnc(C#N)n1 ZINC000409463035 558694420 /nfs/dbraw/zinc/69/44/20/558694420.db2.gz ISLVLHPURPEOCA-JKSUJKDBSA-N 1 0 366.469 2.259 20 30 FEEDRO CCN(CCC#N)S(=O)(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000409586301 558705497 /nfs/dbraw/zinc/70/54/97/558705497.db2.gz JOKFURSXLFILAN-UHFFFAOYSA-N 1 0 370.544 2.030 20 30 FEEDRO CCN(CCC#N)S(=O)(=O)N1CCC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000410126573 558740242 /nfs/dbraw/zinc/74/02/42/558740242.db2.gz BINHXXLIFIIGFA-KRWDZBQOSA-N 1 0 364.515 2.063 20 30 FEEDRO CCN(CCC#N)S(=O)(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000410140040 558741418 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Cc1ccc(CC(=O)NC2(C#N)CC[NH+](C)CC2)cc1Br ZINC000525837956 562256825 /nfs/dbraw/zinc/25/68/25/562256825.db2.gz PBCRPLVJOQTVFP-UHFFFAOYSA-N 1 0 350.260 2.404 20 30 FEEDRO N#Cc1cccnc1OC1CCC(NC(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000525852998 562257312 /nfs/dbraw/zinc/25/73/12/562257312.db2.gz OATJCWBTAQVFAS-PQUAAJSLSA-N 1 0 369.469 2.179 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)Cc2c(F)c(OC)ccc2[N+](=O)[O-])CC1 ZINC000412039725 559005606 /nfs/dbraw/zinc/00/56/06/559005606.db2.gz LQMJNTFASCKNGB-UHFFFAOYSA-N 1 0 351.378 2.052 20 30 FEEDRO C=C[C@H](CC(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1)c1ccccc1 ZINC000412466643 559037413 /nfs/dbraw/zinc/03/74/13/559037413.db2.gz SFNZHQWEQXJFES-LJQANCHMSA-N 1 0 371.525 2.259 20 30 FEEDRO C[C@H]([NH2+]CC1(N2CCSCC2)CCCCC1)C(=O)NC1(C#N)CCC1 ZINC000526048024 562265172 /nfs/dbraw/zinc/26/51/72/562265172.db2.gz SOQYQZAHCNUUMK-INIZCTEOSA-N 1 0 364.559 2.279 20 30 FEEDRO Cc1cc(N2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)c(C#N)cc1[N+](=O)[O-] ZINC000413215343 559089027 /nfs/dbraw/zinc/08/90/27/559089027.db2.gz AEOLJMVEHBQVOP-HNNXBMFYSA-N 1 0 357.458 2.380 20 30 FEEDRO CC[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)C1 ZINC000413263687 559093236 /nfs/dbraw/zinc/09/32/36/559093236.db2.gz MSQHBGOWZWZDBG-CVEARBPZSA-N 1 0 359.449 2.060 20 30 FEEDRO C=CCN(C(=O)NCc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1)C1CC1 ZINC000413836493 559133642 /nfs/dbraw/zinc/13/36/42/559133642.db2.gz QFFNDHHNWXTELT-UHFFFAOYSA-N 1 0 370.497 2.244 20 30 FEEDRO COc1ccc(C[C@H](C)[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cn1 ZINC000414140697 559150673 /nfs/dbraw/zinc/15/06/73/559150673.db2.gz RDKKPMKFZRFYCP-HNAYVOBHSA-N 1 0 364.449 2.284 20 30 FEEDRO C[NH+]1CCN(C[C@@H](O)COc2ccc(Oc3ccc(C#N)cc3)cc2)CC1 ZINC000414155588 559150967 /nfs/dbraw/zinc/15/09/67/559150967.db2.gz VIHNMKVQEHWJRU-GOSISDBHSA-N 1 0 367.449 2.338 20 30 FEEDRO Cn1cc(C[NH2+]CC2(CS(C)(=O)=O)CCC2)c(-c2ccc(C#N)cc2)n1 ZINC000414549373 559170961 /nfs/dbraw/zinc/17/09/61/559170961.db2.gz AEBYSHNMRNGNRN-UHFFFAOYSA-N 1 0 372.494 2.263 20 30 FEEDRO CC(C)[C@H]1CCc2c(C#N)c(NC(=O)C(=O)N[C@@H]3CCC[NH2+]C3)sc2C1 ZINC000415312405 559223287 /nfs/dbraw/zinc/22/32/87/559223287.db2.gz GCQRGZBZOLRTBP-QWHCGFSZSA-N 1 0 374.510 2.187 20 30 FEEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000415353319 559226693 /nfs/dbraw/zinc/22/66/93/559226693.db2.gz LMAMZFFBSVKAAT-QLFBSQMISA-N 1 0 374.510 2.381 20 30 FEEDRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C1 ZINC000415429280 559235669 /nfs/dbraw/zinc/23/56/69/559235669.db2.gz DNPFJALBYRNLKK-JQWIXIFHSA-N 1 0 368.359 2.101 20 30 FEEDRO N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)NCCC[C@H]2CCC[NH2+]2)n1 ZINC000415443754 559237606 /nfs/dbraw/zinc/23/76/06/559237606.db2.gz GALJNLQGYLSEFG-OAHLLOKOSA-N 1 0 372.860 3.051 20 30 FEEDRO N#Cc1ccc(-n2ccc(NC(=O)N[C@@H]3CC[C@H](C[NH3+])C3)n2)c(Cl)c1 ZINC000415464622 559240024 /nfs/dbraw/zinc/24/00/24/559240024.db2.gz RQVHQMVXDNEHGB-WCQYABFASA-N 1 0 358.833 2.646 20 30 FEEDRO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)Nc1ccc(CC#N)cc1Cl ZINC000415479592 559241759 /nfs/dbraw/zinc/24/17/59/559241759.db2.gz ABVCVUAPIPVBPC-CQSZACIVSA-N 1 0 350.850 2.176 20 30 FEEDRO N#Cc1ccccc1Oc1ccc(NC(=O)C(=O)NCC2([NH3+])CCC2)cc1 ZINC000415553043 559248881 /nfs/dbraw/zinc/24/88/81/559248881.db2.gz AYYVOQGYWWAVQI-UHFFFAOYSA-N 1 0 364.405 2.287 20 30 FEEDRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)Nc1cccc(C#Cc2ccccc2)c1 ZINC000415615175 559255438 /nfs/dbraw/zinc/25/54/38/559255438.db2.gz OHSNCHRKVVTJOR-OXJNMPFZSA-N 1 0 361.445 2.139 20 30 FEEDRO C=CCCc1ccccc1NC(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000415670101 559260174 /nfs/dbraw/zinc/26/01/74/559260174.db2.gz GUTYPCJHDZDMTP-GOSISDBHSA-N 1 0 370.497 2.481 20 30 FEEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000415685480 559261814 /nfs/dbraw/zinc/26/18/14/559261814.db2.gz GVMFZTAOAPQUMH-ACJLOTCBSA-N 1 0 360.483 2.217 20 30 FEEDRO CC(C)(CCC[NH3+])NC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000415753080 559267877 /nfs/dbraw/zinc/26/78/77/559267877.db2.gz BVXFXRAUFGBJRM-UHFFFAOYSA-N 1 0 356.348 2.149 20 30 FEEDRO CC(C)(C)c1csc(NC(=O)C(=O)NC(C)(C)CCC[NH3+])c1C#N ZINC000415765342 559269173 /nfs/dbraw/zinc/26/91/73/559269173.db2.gz ULDIMMVDJIXAJA-UHFFFAOYSA-N 1 0 350.488 2.489 20 30 FEEDRO O=C(Nc1ccccc1C#Cc1ccccc1)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000415775828 559270093 /nfs/dbraw/zinc/27/00/93/559270093.db2.gz HFQNPCKSRYBHGL-PMACEKPBSA-N 1 0 373.456 2.235 20 30 FEEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000415845073 559277737 /nfs/dbraw/zinc/27/77/37/559277737.db2.gz JNJQCLXXVHUQGS-ILXRZTDVSA-N 1 0 374.510 2.320 20 30 FEEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCCC[NH2+]C1CC1 ZINC000415863597 559279637 /nfs/dbraw/zinc/27/96/37/559279637.db2.gz UTVWZNGTXIDMBK-CYBMUJFWSA-N 1 0 360.483 2.278 20 30 FEEDRO N#Cc1ccc(N2CCC[C@H](NC(=O)Nc3ncccc3C[NH3+])C2)c(F)c1 ZINC000415990507 559287477 /nfs/dbraw/zinc/28/74/77/559287477.db2.gz TWFMAKSDRSPFME-HNNXBMFYSA-N 1 0 368.416 2.342 20 30 FEEDRO C[C@H](CNC(=O)N[C@@H]1CCCc2cc(C#N)ccc21)C[NH+]1CCN(C)CC1 ZINC000416688322 559329800 /nfs/dbraw/zinc/32/98/00/559329800.db2.gz PABOJIAUIACLEO-OXQOHEQNSA-N 1 0 369.513 2.118 20 30 FEEDRO N#Cc1ccccc1CSCCNC(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000416873936 559336169 /nfs/dbraw/zinc/33/61/69/559336169.db2.gz STWZQIMXZKEOOD-AWEZNQCLSA-N 1 0 354.426 2.088 20 30 FEEDRO C=CCc1cc(CNC(=O)N[C@@H]2C[NH2+]CCC2(F)F)cc(OC)c1OC ZINC000417377698 559359905 /nfs/dbraw/zinc/35/99/05/559359905.db2.gz DJVQFKKDPVNJIS-OAHLLOKOSA-N 1 0 369.412 2.229 20 30 FEEDRO CCCN(C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1)[C@H]1CC[NH2+]C1 ZINC000417569033 559367194 /nfs/dbraw/zinc/36/71/94/559367194.db2.gz BYTPGIIZFRSUKW-SJORKVTESA-N 1 0 373.476 2.450 20 30 FEEDRO N#Cc1ccc(N2CCC[C@H](NC(=O)N[C@H](C[NH3+])C3CCCC3)C2)c(F)c1 ZINC000417575711 559367249 /nfs/dbraw/zinc/36/72/49/559367249.db2.gz JKIRZHZRUFRAPD-FUHWJXTLSA-N 1 0 373.476 2.483 20 30 FEEDRO CC(C)(CCC[NH3+])NC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000417578758 559367352 /nfs/dbraw/zinc/36/73/52/559367352.db2.gz OIAQSWCYLNINKW-HNNXBMFYSA-N 1 0 361.465 2.483 20 30 FEEDRO N#Cc1ccc(OCCNC(=O)N(CC[NH3+])CCc2ccccc2)cc1 ZINC000417757950 559375419 /nfs/dbraw/zinc/37/54/19/559375419.db2.gz GHZKKVNHQUYHCV-UHFFFAOYSA-N 1 0 352.438 2.150 20 30 FEEDRO N#Cc1ccc(OC2CCC(NC(=O)NCCC[C@H]3CCC[NH2+]3)CC2)nc1 ZINC000417959171 559384108 /nfs/dbraw/zinc/38/41/08/559384108.db2.gz DHQWLUWLVZLUMO-WWDZGPRUSA-N 1 0 371.485 2.475 20 30 FEEDRO C=CCC1(CNC(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])CCCC1 ZINC000418259279 559395681 /nfs/dbraw/zinc/39/56/81/559395681.db2.gz OIEKSTADANSHSM-INIZCTEOSA-N 1 0 350.507 2.152 20 30 FEEDRO C[C@@H]([NH3+])c1ccc(CNC(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc1 ZINC000418458504 559402504 /nfs/dbraw/zinc/40/25/04/559402504.db2.gz IDYYSLLEBGHEHT-OAHLLOKOSA-N 1 0 364.453 2.005 20 30 FEEDRO COc1ccc([C@H]2CC[NH2+]C[C@H]2NC(=O)N2CCC(F)(C#N)CC2)cc1 ZINC000418537552 559405269 /nfs/dbraw/zinc/40/52/69/559405269.db2.gz CYZMHOWRAUWELV-IAGOWNOFSA-N 1 0 360.433 2.178 20 30 FEEDRO C[C@@H]1C[C@H](NC(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)CC[NH2+]1 ZINC000418596883 559407456 /nfs/dbraw/zinc/40/74/56/559407456.db2.gz HHUVMZVMLMGAEV-UKRRQHHQSA-N 1 0 360.433 2.391 20 30 FEEDRO N#Cc1ccc(N2CCN(C(=O)NCCC[C@H]3CCC[NH2+]3)CC2)c(F)c1 ZINC000418770396 559415236 /nfs/dbraw/zinc/41/52/36/559415236.db2.gz OHDAKXSITNRLDT-MRXNPFEDSA-N 1 0 359.449 2.061 20 30 FEEDRO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1Cc1cc(C#N)ccc1Br ZINC000419348529 559439045 /nfs/dbraw/zinc/43/90/45/559439045.db2.gz XRCBWBLUVMATQP-QWHCGFSZSA-N 1 0 352.276 2.208 20 30 FEEDRO C=C(C)[C@@H](NC(=O)C(=O)N1CCC[C@@H](CC[NH3+])C1)c1ccc(F)c(F)c1 ZINC000419669421 559452888 /nfs/dbraw/zinc/45/28/88/559452888.db2.gz BFGACCFUZDCRIU-SUMWQHHRSA-N 1 0 365.424 2.286 20 30 FEEDRO C=C(C)[C@H](NC(=O)C(=O)NCC[C@H]1CCC[NH2+]C1)c1ccc(F)c(F)c1 ZINC000419669945 559452911 /nfs/dbraw/zinc/45/29/11/559452911.db2.gz BTXORAFTNLAVKL-DYVFJYSZSA-N 1 0 365.424 2.204 20 30 FEEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N[C@H](C[NH3+])CC(C)C ZINC000419964925 559466714 /nfs/dbraw/zinc/46/67/14/559466714.db2.gz WMLJFOKNIMFHMY-LBPRGKRZSA-N 1 0 357.907 2.406 20 30 FEEDRO C=CCOC[C@H]1NC(=O)N(CC2([N@H+](C)Cc3ccccc3)CCC2)C1=O ZINC000420011503 559468749 /nfs/dbraw/zinc/46/87/49/559468749.db2.gz YXMFTTWFEBDJHT-QGZVFWFLSA-N 1 0 357.454 2.164 20 30 FEEDRO COc1cc(C#N)ccc1S(=O)(=O)N1C[C@H](C)NCc2ccccc21 ZINC000420465582 559488958 /nfs/dbraw/zinc/48/89/58/559488958.db2.gz VZFCFYXKVQZJOA-ZDUSSCGKSA-N 1 0 357.435 2.254 20 30 FEEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+]1C[C@H](CO)C[C@H](C)C1 ZINC000420950827 559513472 /nfs/dbraw/zinc/51/34/72/559513472.db2.gz WQPFRBODLDJKEH-YESZJQIVSA-N 1 0 359.470 2.281 20 30 FEEDRO COCCNC(=O)[C@H](Cc1ccccc1)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000421344425 559539779 /nfs/dbraw/zinc/53/97/79/559539779.db2.gz TVKQYMUYMKPRRY-IBGZPJMESA-N 1 0 355.413 2.161 20 30 FEEDRO COCCS(=O)(=O)c1ccc(C[NH2+]Cc2ccc(C#N)c(F)c2)cc1 ZINC000421348856 559539963 /nfs/dbraw/zinc/53/99/63/559539963.db2.gz BVYHYZDHGFVNKM-UHFFFAOYSA-N 1 0 362.426 2.407 20 30 FEEDRO N#Cc1ccc(C[NH2+][C@H]2CCN(C(=O)COc3ccccc3)C2)cc1F ZINC000421358425 559540150 /nfs/dbraw/zinc/54/01/50/559540150.db2.gz SXSUEYMQNFWJKF-KRWDZBQOSA-N 1 0 353.397 2.467 20 30 FEEDRO C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000422520480 559592643 /nfs/dbraw/zinc/59/26/43/559592643.db2.gz BZTCRISTFOPWKL-UXHICEINSA-N 1 0 371.525 2.384 20 30 FEEDRO C=C(C)CN(Cc1ccccc1)C(=O)C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000423377606 559627221 /nfs/dbraw/zinc/62/72/21/559627221.db2.gz VSPCBSGZEYYRHH-OAQYLSRUSA-N 1 0 355.482 2.193 20 30 FEEDRO C=C[C@@H]1CCCCN1C(=O)C(=O)N1CC[C@@H](c2ccc(F)cc2)[C@H]([NH3+])C1 ZINC000423553673 559631874 /nfs/dbraw/zinc/63/18/74/559631874.db2.gz DMCZUKQEWPUYBQ-FGTMMUONSA-N 1 0 359.445 2.036 20 30 FEEDRO COc1cc(CNC(=O)[C@@H]([NH3+])CCCC#N)cc(Br)c1OC ZINC000424109718 559655037 /nfs/dbraw/zinc/65/50/37/559655037.db2.gz BBGAIZDLOLDRIZ-LBPRGKRZSA-N 1 0 370.247 2.104 20 30 FEEDRO CC(C)(C)S(=O)(=O)Cc1ccc(NC(=O)[C@@H]([NH3+])CCCC#N)cc1 ZINC000424110216 559655070 /nfs/dbraw/zinc/65/50/70/559655070.db2.gz CFOFPSLJBCQSGL-HNNXBMFYSA-N 1 0 351.472 2.360 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1ncc(I)s1 ZINC000424178741 559657007 /nfs/dbraw/zinc/65/70/07/559657007.db2.gz WRZZSHNQUHBNNK-IUCAKERBSA-N 1 0 350.225 2.428 20 30 FEEDRO CCOC(=O)c1csc([C@@H]2CCCN2C(=O)[C@@H]([NH3+])CCCC#N)n1 ZINC000424186911 559657068 /nfs/dbraw/zinc/65/70/68/559657068.db2.gz JEWQEONMXBXIML-AAEUAGOBSA-N 1 0 350.444 2.004 20 30 FEEDRO C=C(C)Cn1c(-c2ccccn2)nnc1N1CC[NH+](C(C)(C)COC)CC1 ZINC000424225869 559658565 /nfs/dbraw/zinc/65/85/65/559658565.db2.gz WECTYHDORGGIFV-UHFFFAOYSA-N 1 0 370.501 2.463 20 30 FEEDRO C=CCCn1cc(C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)nn1 ZINC000424608690 559670987 /nfs/dbraw/zinc/67/09/87/559670987.db2.gz BJWPJGAHDOOSHI-UHFFFAOYSA-N 1 0 353.470 2.496 20 30 FEEDRO C=CCCn1cc(C(=O)NCC2([NH+]3CCSCC3)CCCCC2)nn1 ZINC000424658061 559672664 /nfs/dbraw/zinc/67/26/64/559672664.db2.gz DKOXNWHKMNZFNM-UHFFFAOYSA-N 1 0 363.531 2.336 20 30 FEEDRO C=CCC1(C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)CCOCC1 ZINC000424744558 559675418 /nfs/dbraw/zinc/67/54/18/559675418.db2.gz UXEIRJAUEYVXEU-ZWKOTPCHSA-N 1 0 350.503 2.243 20 30 FEEDRO C=CCCn1cc(C(=O)Nc2ccc(OCC[NH+](C)C)c(OC)c2)nn1 ZINC000424885545 559679312 /nfs/dbraw/zinc/67/93/12/559679312.db2.gz DIQJLWYKGBWOHI-UHFFFAOYSA-N 1 0 359.430 2.056 20 30 FEEDRO CC(C)[NH+]1CCN(C2CCN(c3c(C#N)cccc3[N+](=O)[O-])CC2)CC1 ZINC000425245766 559693035 /nfs/dbraw/zinc/69/30/35/559693035.db2.gz KFAZYMZDELJJMN-UHFFFAOYSA-N 1 0 357.458 2.461 20 30 FEEDRO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N(C)[C@@H](C)c2cccc(C#N)c2)C1 ZINC000425389427 559699557 /nfs/dbraw/zinc/69/95/57/559699557.db2.gz USCZDBZJGFKVEW-YJBOKZPZSA-N 1 0 356.470 2.020 20 30 FEEDRO C[C@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000425859251 559723100 /nfs/dbraw/zinc/72/31/00/559723100.db2.gz DSNRJCOFCUQZAS-OAHLLOKOSA-N 1 0 356.470 2.068 20 30 FEEDRO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000425886980 559724039 /nfs/dbraw/zinc/72/40/39/559724039.db2.gz QXKKRNVASYVPGB-MAUKXSAKSA-N 1 0 368.481 2.211 20 30 FEEDRO N#Cc1c(F)cccc1C(=O)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000427258060 559751541 /nfs/dbraw/zinc/75/15/41/559751541.db2.gz BEQIUALPZSDGOH-FQEVSTJZSA-N 1 0 353.397 2.064 20 30 FEEDRO C=CCCCS(=O)(=O)Nc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000427778309 559762298 /nfs/dbraw/zinc/76/22/98/559762298.db2.gz LTZIVZQBEWRPPE-UHFFFAOYSA-N 1 0 365.499 2.220 20 30 FEEDRO Cc1ccccc1[C@@H]([C@H](C)NS(=O)(=O)c1cccnc1C#N)[NH+](C)C ZINC000428398553 559774768 /nfs/dbraw/zinc/77/47/68/559774768.db2.gz GAHFDQIQZPFKHD-KBXCAEBGSA-N 1 0 358.467 2.231 20 30 FEEDRO N#Cc1ccc(O[C@@H]2CC[N@@H+](CCOc3ccc([N+](=O)[O-])cc3)C2)nc1 ZINC000428804112 559783722 /nfs/dbraw/zinc/78/37/22/559783722.db2.gz GUNYKJKOUYNFAL-QGZVFWFLSA-N 1 0 354.366 2.394 20 30 FEEDRO C=CCNC(=O)C[NH2+][C@H](Cc1ccc(F)cc1)[C@H]1COc2ccccc2O1 ZINC000429238450 559793492 /nfs/dbraw/zinc/79/34/92/559793492.db2.gz RHUFCKWPTVANDR-YLJYHZDGSA-N 1 0 370.424 2.469 20 30 FEEDRO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[NH2+][C@H]1Cc2cccc(O)c2C1 ZINC000429303591 559795344 /nfs/dbraw/zinc/79/53/44/559795344.db2.gz DKYCTQZEHIOLED-INIZCTEOSA-N 1 0 373.416 2.145 20 30 FEEDRO N#Cc1ccc(C(=O)Nc2cccc(C[NH+]3CCC(C(N)=O)CC3)c2)o1 ZINC000429847568 559806961 /nfs/dbraw/zinc/80/69/61/559806961.db2.gz OFGRIGILCOWSCJ-UHFFFAOYSA-N 1 0 352.394 2.101 20 30 FEEDRO N#CCC1(CNC(=O)C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000430363680 559818518 /nfs/dbraw/zinc/81/85/18/559818518.db2.gz HQPZZJLETQJZLH-UHFFFAOYSA-N 1 0 354.454 2.421 20 30 FEEDRO N#Cc1cc(S(=O)(=O)N2CCC3(CC[NH2+]C3)CC2)ccc1C(F)(F)F ZINC000431026253 559832644 /nfs/dbraw/zinc/83/26/44/559832644.db2.gz RNSOFYYDNQIFGN-UHFFFAOYSA-N 1 0 373.400 2.341 20 30 FEEDRO N#CCCC[C@@H](NC(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O)c1ccccc1 ZINC000431931124 559848702 /nfs/dbraw/zinc/84/87/02/559848702.db2.gz MRURDLBLFNVNJB-QZTJIDSGSA-N 1 0 371.485 2.061 20 30 FEEDRO C=CCc1ccccc1OC[C@H](O)C[N@@H+](CCO)[C@@H]1CCCSC1 ZINC000433191031 559872876 /nfs/dbraw/zinc/87/28/76/559872876.db2.gz TXUMTWXCETWQAQ-QZTJIDSGSA-N 1 0 351.512 2.345 20 30 FEEDRO C[C@@H](C#N)CN(C(=O)C(=O)Nc1cccc2c1OCC[C@H]2[NH+](C)C)C1CC1 ZINC000435066553 559915474 /nfs/dbraw/zinc/91/54/74/559915474.db2.gz OBLVAZNOROYQOE-SUMWQHHRSA-N 1 0 370.453 2.161 20 30 FEEDRO Cc1oc(C#N)cc1C(=O)N1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000436133115 559935803 /nfs/dbraw/zinc/93/58/03/559935803.db2.gz VFUUJKNRURCBIT-UHFFFAOYSA-N 1 0 374.485 2.016 20 30 FEEDRO C=C(C)[C@H]1OCC[C@H]1CNC(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000437499540 559965253 /nfs/dbraw/zinc/96/52/53/559965253.db2.gz VLLRQBFLXRSYIC-GHTZIAJQSA-N 1 0 357.498 2.296 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000437547596 559965835 /nfs/dbraw/zinc/96/58/35/559965835.db2.gz NEVMAQNSSCVCQO-LULLPPNCSA-N 1 0 365.518 2.035 20 30 FEEDRO N#Cc1ccc(CN2CC[C@@H](C[NH+]3CCOCC3)C2)c(OC(F)F)c1 ZINC000437895847 559971251 /nfs/dbraw/zinc/97/12/51/559971251.db2.gz LZNDSCDVPXEZIB-HNNXBMFYSA-N 1 0 351.397 2.314 20 30 FEEDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1ccc(C#N)cc1F ZINC000439433852 559993664 /nfs/dbraw/zinc/99/36/64/559993664.db2.gz BKIGEERMZRAUHG-OAHLLOKOSA-N 1 0 360.433 2.263 20 30 FEEDRO CCOC(=O)[C@]1(COC)CCC[N@H+](CCC(=O)Nc2cccc(C#N)c2)C1 ZINC000439464432 559994442 /nfs/dbraw/zinc/99/44/42/559994442.db2.gz CZCRVEFIEFPMTO-HXUWFJFHSA-N 1 0 373.453 2.179 20 30 FEEDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NS(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000442107055 560044004 /nfs/dbraw/zinc/04/40/04/560044004.db2.gz DEUMHPLINFQBRF-MGPQQGTHSA-N 1 0 353.463 2.342 20 30 FEEDRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000443063287 560068606 /nfs/dbraw/zinc/06/86/06/560068606.db2.gz ACWIEYGWDIMNRL-CHWSQXEVSA-N 1 0 366.443 2.008 20 30 FEEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)C[C@@H]1C ZINC000443353916 560081575 /nfs/dbraw/zinc/08/15/75/560081575.db2.gz DMQWHWFMEGWQQW-WFASDCNBSA-N 1 0 362.861 2.481 20 30 FEEDRO C[NH+](C)CCN1CCN(C(=O)c2cn(CCCC#N)c3ccccc23)CC1 ZINC000443917099 560096210 /nfs/dbraw/zinc/09/62/10/560096210.db2.gz QHEKJAOERRCVQX-UHFFFAOYSA-N 1 0 367.497 2.264 20 30 FEEDRO Cc1cc(C[NH2+]CCC(=O)N2CCN(c3ccccn3)CC2)ccc1C#N ZINC000443982065 560098316 /nfs/dbraw/zinc/09/83/16/560098316.db2.gz UVXBVEJLACGHDC-UHFFFAOYSA-N 1 0 363.465 2.090 20 30 FEEDRO COCCNS(=O)(=O)c1cccc(C[NH2+]Cc2ccc(C#N)c(C)c2)c1 ZINC000443984107 560098366 /nfs/dbraw/zinc/09/83/66/560098366.db2.gz DLMKXQSQDNNRJI-UHFFFAOYSA-N 1 0 373.478 2.081 20 30 FEEDRO C[C@H](c1ccc(-c2ccc(C#N)cc2CO)cc1)[NH+]1CCN(CCO)CC1 ZINC000527587326 562296583 /nfs/dbraw/zinc/29/65/83/562296583.db2.gz JOCVDVKHEFSHJK-QGZVFWFLSA-N 1 0 365.477 2.388 20 30 FEEDRO Cc1cc(N(CCC#N)C(=O)C[NH2+][C@@H](CO)[C@H]2CCCO2)ccc1Cl ZINC000447911299 560172687 /nfs/dbraw/zinc/17/26/87/560172687.db2.gz ZNOUBGYGDKMMKS-DLBZAZTESA-N 1 0 365.861 2.025 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)NCCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000448684957 560194151 /nfs/dbraw/zinc/19/41/51/560194151.db2.gz RNOBBQCTQKOCPA-UXHICEINSA-N 1 0 357.498 2.214 20 30 FEEDRO CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C1 ZINC000448763073 560198257 /nfs/dbraw/zinc/19/82/57/560198257.db2.gz MVKMQBGCTQILGQ-DZGCQCFKSA-N 1 0 374.872 2.023 20 30 FEEDRO COCC[N@H+](C)CC[C@H](NC(=O)c1ccc(C#N)n1C)c1ccccc1 ZINC000448907359 560206057 /nfs/dbraw/zinc/20/60/57/560206057.db2.gz HYYDVRPTYRMQJQ-SFHVURJKSA-N 1 0 354.454 2.336 20 30 FEEDRO C[C@@H](CC[NH+](C)C)NC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 ZINC000448978373 560209982 /nfs/dbraw/zinc/20/99/82/560209982.db2.gz XBTMOAVUTXEBQT-JSGCOSHPSA-N 1 0 362.861 2.021 20 30 FEEDRO C[NH+](C)CC(C)(C)CNC(=O)COc1ccc(C#N)c(Br)c1 ZINC000449066979 560214737 /nfs/dbraw/zinc/21/47/37/560214737.db2.gz HFPPEYNQOUWAJK-UHFFFAOYSA-N 1 0 368.275 2.404 20 30 FEEDRO CC(=O)N1CCC[N@H+](C[C@H]2CCCN(Cc3ccc(C#N)s3)C2)CC1 ZINC000449498394 560231704 /nfs/dbraw/zinc/23/17/04/560231704.db2.gz LGFMTCZRQHTHMT-QGZVFWFLSA-N 1 0 360.527 2.386 20 30 FEEDRO CC(=O)N1CCC[N@H+](C[C@@H]2CCCN(Cc3ccc(C#N)cc3)C2)CC1 ZINC000449494042 560231787 /nfs/dbraw/zinc/23/17/87/560231787.db2.gz FYUWUPZZLHIQPN-NRFANRHFSA-N 1 0 354.498 2.324 20 30 FEEDRO C[C@H]1C[C@H](NC(=O)COc2ccc(C#N)c(Br)c2)CC[N@@H+]1C ZINC000449943192 560246020 /nfs/dbraw/zinc/24/60/20/560246020.db2.gz YHBQHRIBCFXCRC-WCQYABFASA-N 1 0 366.259 2.298 20 30 FEEDRO COc1ccccc1[C@H](CNc1nc2c(cc1C#N)COCC2)[NH+](C)C ZINC000450211436 560254005 /nfs/dbraw/zinc/25/40/05/560254005.db2.gz AWFMSCPLIQVHCO-SFHVURJKSA-N 1 0 352.438 2.749 20 30 FEEDRO N#Cc1cccc(NC[C@H](O)C[N@@H+]2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000450243838 560255455 /nfs/dbraw/zinc/25/54/55/560255455.db2.gz UAPZESLBLJZYJG-KRWDZBQOSA-N 1 0 352.394 2.298 20 30 FEEDRO C=CCOc1ccc(CC(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)cc1 ZINC000450319483 560258406 /nfs/dbraw/zinc/25/84/06/560258406.db2.gz YWMDMAVZZVYGAZ-RXVVDRJESA-N 1 0 371.525 2.278 20 30 FEEDRO C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)[C@@H](C)C[N@@H+]1C ZINC000450351549 560259635 /nfs/dbraw/zinc/25/96/35/560259635.db2.gz VJYNITFSEUGVHU-IPYPFGDCSA-N 1 0 374.872 2.116 20 30 FEEDRO N#Cc1cnc2c(F)c(F)c(F)cc2c1NC[C@H]1CCC[N@H+]1CCCO ZINC000450599185 560267542 /nfs/dbraw/zinc/26/75/42/560267542.db2.gz RXBSXYMMMQDUEC-GFCCVEGCSA-N 1 0 364.371 2.204 20 30 FEEDRO CC(=O)N1CCC[N@H+](C[C@H]2CCCN(c3ccc(C)c(C#N)n3)C2)CC1 ZINC000450775245 560272929 /nfs/dbraw/zinc/27/29/29/560272929.db2.gz POCAHUCZHMJOOQ-GOSISDBHSA-N 1 0 355.486 2.032 20 30 FEEDRO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CC[C@H](Oc2cccnc2N(C)C)C1 ZINC000451026599 560283144 /nfs/dbraw/zinc/28/31/44/560283144.db2.gz LOSHBMGBVPZVSZ-IRXDYDNUSA-N 1 0 358.486 2.190 20 30 FEEDRO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CC[C@@H](Oc2cccnc2N(C)C)C1 ZINC000451026595 560283248 /nfs/dbraw/zinc/28/32/48/560283248.db2.gz LOSHBMGBVPZVSZ-DLBZAZTESA-N 1 0 358.486 2.190 20 30 FEEDRO COC1CC[NH+](C2(CNS(=O)(=O)CC(C)(C)CC#N)CCCC2)CC1 ZINC000451177004 560291506 /nfs/dbraw/zinc/29/15/06/560291506.db2.gz SSAAWPHNWVHXJP-UHFFFAOYSA-N 1 0 371.547 2.269 20 30 FEEDRO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1C[C@H](O)C[C@@H]1[C@H]1CCCOC1 ZINC000451301506 560299075 /nfs/dbraw/zinc/29/90/75/560299075.db2.gz NOMHEESBUBHNOB-MTQWCTHYSA-N 1 0 361.482 2.017 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]CC(=O)NCc1c(C)nn(-c2ccccc2)c1C ZINC000451606986 560317115 /nfs/dbraw/zinc/31/71/15/560317115.db2.gz JISZTIVQZKNMTL-MOPGFXCFSA-N 1 0 354.454 2.038 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]CC(=O)NCC1(c2ccccc2)CCOCC1 ZINC000451671367 560321006 /nfs/dbraw/zinc/32/10/06/560321006.db2.gz FRSBQAJKHXHXLH-MOPGFXCFSA-N 1 0 358.482 2.174 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]CC(=O)N(CC)Cc1ccc2c(c1)OCCO2 ZINC000451675691 560321443 /nfs/dbraw/zinc/32/14/43/560321443.db2.gz QMBBWQAIBPAQNQ-SJORKVTESA-N 1 0 360.454 2.130 20 30 FEEDRO C[N@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)[C@H](CO)CC(C)(C)C ZINC000451792914 560328678 /nfs/dbraw/zinc/32/86/78/560328678.db2.gz UQVSIKFSUOATPR-KRWDZBQOSA-N 1 0 369.469 2.411 20 30 FEEDRO C[N@H+](Cc1ccccc1)C1(CNS(=O)(=O)c2ccc(C#N)o2)CCC1 ZINC000451795065 560328898 /nfs/dbraw/zinc/32/88/98/560328898.db2.gz IFGPPLMKKUAHJW-UHFFFAOYSA-N 1 0 359.451 2.484 20 30 FEEDRO CC(C)(C)CC(C)(C)[NH+]1CCN(S(=O)(=O)c2ccc(C#N)nc2)CC1 ZINC000452008275 560345026 /nfs/dbraw/zinc/34/50/26/560345026.db2.gz AHWCJIJCJYJYQW-UHFFFAOYSA-N 1 0 364.515 2.474 20 30 FEEDRO CC[NH+](CC)CC1CCN(C(=O)C(=O)Nc2cc(C)cc(C#N)c2)CC1 ZINC000453593824 560390276 /nfs/dbraw/zinc/39/02/76/560390276.db2.gz DEYRYVNVYBQVMI-UHFFFAOYSA-N 1 0 356.470 2.386 20 30 FEEDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C(=O)Nc2cccc(CC#N)c2)C1 ZINC000453600239 560390525 /nfs/dbraw/zinc/39/05/25/560390525.db2.gz OGOIKPKDFVZWRX-HZPDHXFCSA-N 1 0 356.470 2.175 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cc(C)cnc2OC(C)C)CC1 ZINC000453634267 560392231 /nfs/dbraw/zinc/39/22/31/560392231.db2.gz ASWPOTRPTRMQSA-UHFFFAOYSA-N 1 0 374.485 2.272 20 30 FEEDRO CC[N@H+](C)Cc1cccc(CNC(=O)C(=O)Nc2cccc(CC#N)c2)c1 ZINC000453651601 560393552 /nfs/dbraw/zinc/39/35/52/560393552.db2.gz JMSDPNUMXVDRGF-UHFFFAOYSA-N 1 0 364.449 2.459 20 30 FEEDRO C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)Nc3ccc(CC#N)cc3Cl)CC[C@H]21 ZINC000453670693 560395398 /nfs/dbraw/zinc/39/53/98/560395398.db2.gz JLKRTNMRDUKIKY-WMLDXEAASA-N 1 0 374.872 2.287 20 30 FEEDRO C[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2cccc(CC#N)c2)[C@@H]1c1ccccc1 ZINC000453686229 560396626 /nfs/dbraw/zinc/39/66/26/560396626.db2.gz DNEKUUKQKZYBLM-OALUTQOASA-N 1 0 362.433 2.253 20 30 FEEDRO Cc1cc(C#N)cc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)c1 ZINC000453688832 560396872 /nfs/dbraw/zinc/39/68/72/560396872.db2.gz HNUQASLQIFZWGD-MOPGFXCFSA-N 1 0 362.433 2.367 20 30 FEEDRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)C(=O)NCC#Cc3ccccc3)ccc21 ZINC000453701641 560397861 /nfs/dbraw/zinc/39/78/61/560397861.db2.gz UFPOILFYJADIQO-HXUWFJFHSA-N 1 0 361.445 2.342 20 30 FEEDRO C[C@H](NC(=O)C(=O)Nc1ccc(CC#N)cc1Cl)C1=CC[N@H+](C)CC1 ZINC000453753874 560401820 /nfs/dbraw/zinc/40/18/20/560401820.db2.gz KVTDLONBUNQOCZ-LBPRGKRZSA-N 1 0 360.845 2.111 20 30 FEEDRO C=CCC1(CNC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CCCC1 ZINC000454439370 560444454 /nfs/dbraw/zinc/44/44/54/560444454.db2.gz OYXOISDYXLFOEM-INIZCTEOSA-N 1 0 350.507 2.010 20 30 FEEDRO C=CCN(C)C(=O)NCC1([NH+]2CCN(c3ccccc3)CC2)CCOCC1 ZINC000455440754 560482381 /nfs/dbraw/zinc/48/23/81/560482381.db2.gz GPGKZJSMYTUTSE-UHFFFAOYSA-N 1 0 372.513 2.185 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@H]1C[C@@H]2CCCCN2C1=O)C(C)C ZINC000455623030 560489588 /nfs/dbraw/zinc/48/95/88/560489588.db2.gz MCLXFXKNERBEIB-OKZBNKHCSA-N 1 0 362.518 2.138 20 30 FEEDRO CC(C)(O)C[NH+]1CCN(C(=O)Nc2ccc(CC#N)cc2Cl)CC1 ZINC000455698264 560492191 /nfs/dbraw/zinc/49/21/91/560492191.db2.gz FUROEYNFOWNKOX-UHFFFAOYSA-N 1 0 350.850 2.326 20 30 FEEDRO C[C@@H]1C[N@H+](CCCNC(=O)Nc2cnc(C#N)c(Cl)c2)CCCO1 ZINC000455760074 560494043 /nfs/dbraw/zinc/49/40/43/560494043.db2.gz MDVXMOWHLIWFAQ-GFCCVEGCSA-N 1 0 351.838 2.229 20 30 FEEDRO C[NH+](C)CCOc1cc(CNC(=O)Nc2cnc(C#N)c(Cl)c2)ccn1 ZINC000455796586 560495021 /nfs/dbraw/zinc/49/50/21/560495021.db2.gz UZFYGBHVMQPMOK-UHFFFAOYSA-N 1 0 374.832 2.264 20 30 FEEDRO C[NH+](C)CCCC(C)(C)NC(=O)c1ccc(-n2ncc(C#N)c2N)cc1 ZINC000456196789 560510601 /nfs/dbraw/zinc/51/06/01/560510601.db2.gz IFVBZUNNIGUGDQ-UHFFFAOYSA-N 1 0 354.458 2.176 20 30 FEEDRO Cc1cc(C(=O)Nc2cccc(C[NH+]3CCC(O)CC3)c2)ncc1C#N ZINC000457631666 560578870 /nfs/dbraw/zinc/57/88/70/560578870.db2.gz VKSNJPARKXTELT-UHFFFAOYSA-N 1 0 350.422 2.471 20 30 FEEDRO CC(C)[C@](C)([NH2+]CC(=O)Nc1ccccc1SC[C@@H](C)C#N)C(N)=O ZINC000459491486 560689616 /nfs/dbraw/zinc/68/96/16/560689616.db2.gz XKSAJWDIRBLJKH-UGSOOPFHSA-N 1 0 362.499 2.366 20 30 FEEDRO COc1ccc(S(=O)(=O)N2CCC([NH2+]CC(C)(C)CC#N)CC2)cc1 ZINC000459736217 560705194 /nfs/dbraw/zinc/70/51/94/560705194.db2.gz UCWREJIUFSVKMV-UHFFFAOYSA-N 1 0 365.499 2.378 20 30 FEEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000460039880 560730958 /nfs/dbraw/zinc/73/09/58/560730958.db2.gz YLCDGTKTMQGMHM-UHFFFAOYSA-N 1 0 373.497 2.010 20 30 FEEDRO Cc1nnc(CCNC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)s1 ZINC000461874892 560786061 /nfs/dbraw/zinc/78/60/61/560786061.db2.gz CWEGNCNPFAQWBR-UHFFFAOYSA-N 1 0 372.498 2.034 20 30 FEEDRO Cc1cccc(N2CC[NH+](CCCNC(=O)N[C@@H]3CCC[C@@H]3C#N)CC2)c1 ZINC000461964638 560790155 /nfs/dbraw/zinc/79/01/55/560790155.db2.gz VTTZFDSYSZCMFM-UYAOXDASSA-N 1 0 369.513 2.499 20 30 FEEDRO C[C@H](C(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1)c1cccc(C#N)c1 ZINC000462270478 560803825 /nfs/dbraw/zinc/80/38/25/560803825.db2.gz OCTCGEAOJXKMKQ-FUHIMQAGSA-N 1 0 354.498 2.146 20 30 FEEDRO C=CC[C@H](CC)NC(=O)N1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000466388538 560885758 /nfs/dbraw/zinc/88/57/58/560885758.db2.gz KNGYYVZYXOBWBC-KRWDZBQOSA-N 1 0 366.550 2.467 20 30 FEEDRO CCOc1ccc(N(CCC#N)C(=O)CN(C)[C@H](C)C[S@](C)=O)cc1 ZINC000467193547 560906038 /nfs/dbraw/zinc/90/60/38/560906038.db2.gz CCZQJUFHUDNMEH-BZQUYTCOSA-N 1 0 365.499 2.031 20 30 FEEDRO COc1cc([C@@H](C#N)NC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)cc(OC)c1OC ZINC000468945660 560942908 /nfs/dbraw/zinc/94/29/08/560942908.db2.gz ISYHYXBCYLKTOF-VNHYZAJKSA-N 1 0 361.442 2.266 20 30 FEEDRO CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NCC[N@@H+]1CCCC(C)(C)C1 ZINC000470283938 560978063 /nfs/dbraw/zinc/97/80/63/560978063.db2.gz OYZCMBWMCVUWJF-IBGZPJMESA-N 1 0 351.491 2.486 20 30 FEEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H]1C[C@H](OCc2ccccc2)C1(C)C ZINC000471855045 561013020 /nfs/dbraw/zinc/01/30/20/561013020.db2.gz DQEMUSOPJVBXHS-XIRDDKMYSA-N 1 0 359.470 2.360 20 30 FEEDRO C[C@@H](NC(=O)NC(C)(C)CC[NH+]1CCN(C)CC1)c1ccc(C#N)cc1 ZINC000473660238 561055289 /nfs/dbraw/zinc/05/52/89/561055289.db2.gz MIZVTOVUTTVGDL-MRXNPFEDSA-N 1 0 357.502 2.335 20 30 FEEDRO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)c3cnn(C)c3C#N)cc2)C1 ZINC000474909127 561085373 /nfs/dbraw/zinc/08/53/73/561085373.db2.gz XQZUJSQPLRGUJP-OAHLLOKOSA-N 1 0 351.454 2.454 20 30 FEEDRO N#CCNC(=O)C[NH2+][C@H](Cc1ccccn1)c1ccc(Br)cc1 ZINC000475741576 561104172 /nfs/dbraw/zinc/10/41/72/561104172.db2.gz YODWKKGWYIDXJY-MRXNPFEDSA-N 1 0 373.254 2.357 20 30 FEEDRO N#Cc1ccc(SCC(=O)N2CC[C@H](OCC[NH+]3CCCC3)C2)cc1 ZINC000476443317 561119454 /nfs/dbraw/zinc/11/94/54/561119454.db2.gz OPFPRYSVXQZHTH-KRWDZBQOSA-N 1 0 359.495 2.364 20 30 FEEDRO CC(C)[NH+]1CCN(c2cccc(NC(=O)c3cnn(C)c3C#N)c2)CC1 ZINC000476533516 561121770 /nfs/dbraw/zinc/12/17/70/561121770.db2.gz DWBANNBRMHOIPS-UHFFFAOYSA-N 1 0 352.442 2.074 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N[C@H]2CC[NH2+]C23CCC3)cc1C(F)(F)F ZINC000528050491 562312510 /nfs/dbraw/zinc/31/25/10/562312510.db2.gz COHZVFUQPVMRHQ-ZDUSSCGKSA-N 1 0 359.373 2.140 20 30 FEEDRO CC(=O)N1CC[N@H+](C[C@@H](O)COc2ccccc2C#N)CC12CCCCC2 ZINC000528430017 562329073 /nfs/dbraw/zinc/32/90/73/562329073.db2.gz JLCURKIZRGTFDP-LJQANCHMSA-N 1 0 371.481 2.165 20 30 FEEDRO CCn1nccc1C1CC[NH+](C[C@@H](O)COc2ccccc2C#N)CC1 ZINC000528483347 562331634 /nfs/dbraw/zinc/33/16/34/562331634.db2.gz GAAGRDNSNADQOY-GOSISDBHSA-N 1 0 354.454 2.394 20 30 FEEDRO N#Cc1ccccc1OC[C@@H](O)C[NH+]1CCC(F)(c2cncnc2)CC1 ZINC000528507337 562333032 /nfs/dbraw/zinc/33/30/32/562333032.db2.gz SHKWLXOQELITSW-KRWDZBQOSA-N 1 0 356.401 2.049 20 30 FEEDRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)Cc1ccc(C#N)nc1 ZINC000528513265 562333437 /nfs/dbraw/zinc/33/34/37/562333437.db2.gz SFFJIQQLEFILCK-HXUWFJFHSA-N 1 0 363.465 2.404 20 30 FEEDRO N#Cc1ccccc1OC[C@@H](O)C[N@H+]1CC[C@@](CO)(c2cccc(F)c2)C1 ZINC000528546033 562335308 /nfs/dbraw/zinc/33/53/08/562335308.db2.gz REMJBQNHCBMTGY-PZJWPPBQSA-N 1 0 370.424 2.073 20 30 FEEDRO N#Cc1ccc(F)c(CS(=O)(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)c1 ZINC000528547793 562335496 /nfs/dbraw/zinc/33/54/96/562335496.db2.gz IWUGTPFQQAQTII-INIZCTEOSA-N 1 0 351.447 2.134 20 30 FEEDRO N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC000528554988 562336139 /nfs/dbraw/zinc/33/61/39/562336139.db2.gz MVKBTEPUGVBNHZ-PWRODBHTSA-N 1 0 366.461 2.396 20 30 FEEDRO COc1ccc([C@@H]([NH2+]CCS(=O)(=O)c2cccc(C#N)c2)C2CC2)cn1 ZINC000528848236 562350167 /nfs/dbraw/zinc/35/01/67/562350167.db2.gz ALACLSSIKYSCSI-IBGZPJMESA-N 1 0 371.462 2.476 20 30 FEEDRO N#Cc1ccc(N2CCN(C(=O)N[C@@H]3CC[NH2+]C34CCC4)CC2)c(Cl)c1 ZINC000529351549 562370564 /nfs/dbraw/zinc/37/05/64/562370564.db2.gz IDEGWGFWUCOBFQ-QGZVFWFLSA-N 1 0 373.888 2.328 20 30 FEEDRO COCc1ccc(NC(=O)c2ccnc(OCC[NH+](C)C)c2)cc1C#N ZINC000529817755 562386548 /nfs/dbraw/zinc/38/65/48/562386548.db2.gz QAXHJPJMYPFXHT-UHFFFAOYSA-N 1 0 354.410 2.292 20 30 FEEDRO N#Cc1ccccc1OC[C@@H](O)C[NH2+][C@H]1CCN(c2ccc(F)cc2F)C1 ZINC000530231633 562403052 /nfs/dbraw/zinc/40/30/52/562403052.db2.gz SBXMUVGVXQMUTN-IRXDYDNUSA-N 1 0 373.403 2.445 20 30 FEEDRO C[C@H](N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)C(=O)NC1(C#N)CCC1 ZINC000530336770 562407416 /nfs/dbraw/zinc/40/74/16/562407416.db2.gz VFXZMKJDWOBHDL-ZIFCJYIRSA-N 1 0 354.498 2.438 20 30 FEEDRO C[C@H]1C[NH+](CC2CCN(C(=O)Cc3cccc(C#N)c3)CC2)C[C@H](C)O1 ZINC000530676268 562420147 /nfs/dbraw/zinc/42/01/47/562420147.db2.gz ULLZUCNIFYIXFP-IRXDYDNUSA-N 1 0 355.482 2.449 20 30 FEEDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CCN(c2ccc(C#N)cc2F)CC1 ZINC000532067623 562465852 /nfs/dbraw/zinc/46/58/52/562465852.db2.gz QMKBURSUUXXMNR-KBXCAEBGSA-N 1 0 371.460 2.012 20 30 FEEDRO C[NH+]1CCC(C#N)(NC(=O)Cc2ccc(OCc3ccccn3)cc2)CC1 ZINC000533097191 562498206 /nfs/dbraw/zinc/49/82/06/562498206.db2.gz FMRGYSLJPNMEPZ-UHFFFAOYSA-N 1 0 364.449 2.307 20 30 FEEDRO CS[C@@H]1CN([C@H](C)C(=O)N(CCC#N)c2ccccc2)C[C@@H]1[NH+](C)C ZINC000534951997 562546093 /nfs/dbraw/zinc/54/60/93/562546093.db2.gz QTVDMQLQPDPMQK-BPQIPLTHSA-N 1 0 360.527 2.299 20 30 FEEDRO N#Cc1ccc(CNC(=O)C[N@H+](C[C@H]2CCCO2)[C@H]2CCSC2)cc1 ZINC000535552105 562561087 /nfs/dbraw/zinc/56/10/87/562561087.db2.gz RNQCNQKDKMIHJO-ZWKOTPCHSA-N 1 0 359.495 2.161 20 30 FEEDRO C[NH+](C)CCOCCNC(=O)c1occc1COc1cccc(C#N)c1 ZINC000540846882 562594299 /nfs/dbraw/zinc/59/42/99/562594299.db2.gz WSDJEOMFTOCVJX-UHFFFAOYSA-N 1 0 357.410 2.038 20 30 FEEDRO CN(C(=O)C(=O)Nc1cccc2c1OCC[C@H]2[NH+](C)C)[C@H]1CCC[C@@H]1C#N ZINC000602068543 567924820 /nfs/dbraw/zinc/92/48/20/567924820.db2.gz QYGWALVMOZRBRY-XOKHGSTOSA-N 1 0 370.453 2.161 20 30 FEEDRO N#CCCCCNC(=O)C(=O)N[C@@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC000602244552 567959067 /nfs/dbraw/zinc/95/90/67/567959067.db2.gz HJKZHEXBTISGIH-LJQANCHMSA-N 1 0 370.497 2.357 20 30 FEEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]CCCN1c2ccccc2OCC1=O ZINC000602561035 567991633 /nfs/dbraw/zinc/99/16/33/567991633.db2.gz PSBFCXMLGQDENK-INIZCTEOSA-N 1 0 357.454 2.491 20 30 FEEDRO CO[C@H]1CN(CC(=O)N(CCC#N)c2cccc(Cl)c2)[C@](C)(CO)C1 ZINC000602964493 568023940 /nfs/dbraw/zinc/02/39/40/568023940.db2.gz QMBSTAMZWJYNQH-AEFFLSMTSA-N 1 0 365.861 2.058 20 30 FEEDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)N[C@@H]1CCOC2(CCC2)C1 ZINC000330268709 568052396 /nfs/dbraw/zinc/05/23/96/568052396.db2.gz RIGFQBSONVZAAD-JKSUJKDBSA-N 1 0 351.491 2.187 20 30 FEEDRO Cc1c[nH+]ccc1N1CCC(C(=O)N2C[C@H](C)N(CC#N)[C@@H](C)C2)CC1 ZINC000603098603 568060260 /nfs/dbraw/zinc/06/02/60/568060260.db2.gz HRKMMBCPMAINIT-IRXDYDNUSA-N 1 0 355.486 2.051 20 30 FEEDRO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1C[C@H]2CN(c3ccccc3)C[C@H]2C1 ZINC000603864363 568161393 /nfs/dbraw/zinc/16/13/93/568161393.db2.gz BKTSHOCYXRZYHN-DCXXXQMHSA-N 1 0 354.498 2.498 20 30 FEEDRO CCN(Cc1cccc(F)c1)C(=O)CN1CCN([C@@H](C#N)C(C)C)CC1 ZINC000609486078 568346221 /nfs/dbraw/zinc/34/62/21/568346221.db2.gz CMAJQSYRGXRFFD-IBGZPJMESA-N 1 0 360.477 2.340 20 30 FEEDRO Cc1ccc(NCc2cnc3c(C#N)cnn3c2)c(OCC[NH+](C)C)c1 ZINC000569458589 568398933 /nfs/dbraw/zinc/39/89/33/568398933.db2.gz BXLQYBNBWWVMLN-UHFFFAOYSA-N 1 0 350.426 2.462 20 30 FEEDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000569485557 568403273 /nfs/dbraw/zinc/40/32/73/568403273.db2.gz KTQZYPZXSLATLH-HUUCEWRRSA-N 1 0 364.449 2.083 20 30 FEEDRO CN1CC[C@H]([NH2+]Cc2cnc3c(C#N)cnn3c2)[C@H]1c1ccc(F)c(F)c1 ZINC000569811153 568426729 /nfs/dbraw/zinc/42/67/29/568426729.db2.gz NHQCHIMCTMYYQI-ZWKOTPCHSA-N 1 0 368.391 2.414 20 30 FEEDRO CN(CCC#N)c1ccc(C=[NH+]NCc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000821597582 607254672 /nfs/dbraw/zinc/25/46/72/607254672.db2.gz AGUZGHBDUBWTLQ-UHFFFAOYSA-N 1 0 360.425 2.340 20 30 FEEDRO CS(=O)(=O)[C@H]1CCC[C@@H]([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C1 ZINC000556885854 674426206 /nfs/dbraw/zinc/42/62/06/674426206.db2.gz PSIGZJRGYGZCSE-MJGOQNOKSA-N 1 0 361.511 2.472 20 30 FEEDRO C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000735420248 598269751 /nfs/dbraw/zinc/26/97/51/598269751.db2.gz NOYSCQZROGXRSX-CQSZACIVSA-N 1 0 369.473 2.047 20 30 FEEDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000557853559 674471356 /nfs/dbraw/zinc/47/13/56/674471356.db2.gz AKWDAKMMWSOZJA-WBMJQRKESA-N 1 0 353.875 2.459 20 30 FEEDRO N#Cc1ccc(C[NH2+][C@H]2CCN(S(=O)(=O)c3ccccc3)C2)c(F)c1 ZINC000558121958 674483851 /nfs/dbraw/zinc/48/38/51/674483851.db2.gz UALRMAFEXMSDPV-INIZCTEOSA-N 1 0 359.426 2.250 20 30 FEEDRO C[C@H]([NH2+][C@@H]1CCCN(S(=O)(=O)N(C)C)C1)c1ccc(C#N)cc1Cl ZINC000558259515 674489919 /nfs/dbraw/zinc/48/99/19/674489919.db2.gz SKVSYPXJJPJCFQ-GXTWGEPZSA-N 1 0 370.906 2.133 20 30 FEEDRO CC(C)(CCC#N)C[NH+]1CCN(c2cccc(F)c2-c2nn[nH]n2)CC1 ZINC000824152903 608594201 /nfs/dbraw/zinc/59/42/01/608594201.db2.gz SFQCUWDFBTYCAY-UHFFFAOYSA-N 1 0 357.437 2.458 20 30 FEEDRO N#Cc1ccc(N2CCC[C@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2=O)cc1 ZINC000826385585 609413467 /nfs/dbraw/zinc/41/34/67/609413467.db2.gz SIODVXSOPTXRRD-SFHVURJKSA-N 1 0 373.420 2.024 20 30 FEEDRO CCOC(=O)C1CCC([N@H+](CC)CC(=O)N(CC)C[C@@H](C)C#N)CC1 ZINC000560978377 674628169 /nfs/dbraw/zinc/62/81/69/674628169.db2.gz FVJCDTSNRPWVHQ-GTPINHCMSA-N 1 0 351.491 2.438 20 30 FEEDRO C#C[C@@H](NC(=O)NCCCC[NH+]1CCN(C)CC1)c1ccc(Cl)cc1 ZINC000811859554 674634050 /nfs/dbraw/zinc/63/40/50/674634050.db2.gz UCZVBKMSYGBVLY-GOSISDBHSA-N 1 0 362.905 2.341 20 30 FEEDRO CSC1(CNC(=O)NCc2cc(C#N)ccc2F)CC[NH+](C)CC1 ZINC000811886230 674635876 /nfs/dbraw/zinc/63/58/76/674635876.db2.gz BPBYMUDDPLMNMP-UHFFFAOYSA-N 1 0 350.463 2.324 20 30 FEEDRO CN(CCC#N)C[C@H](O)C[NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 ZINC000562991646 674831980 /nfs/dbraw/zinc/83/19/80/674831980.db2.gz RZNPNQSTMIKIPO-KBRIMQKVSA-N 1 0 355.841 2.105 20 30 FEEDRO C=CCNC(=O)[C@H](C)[NH+]1CCC2(CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000814646283 674872314 /nfs/dbraw/zinc/87/23/14/674872314.db2.gz WZIJJVRRRHXZOW-HNNXBMFYSA-N 1 0 351.491 2.400 20 30 FEEDRO COCC(=NNC(=S)NCCC[NH+](C)C)c1cccc(Cl)c1F ZINC000814845668 674883779 /nfs/dbraw/zinc/88/37/79/674883779.db2.gz RHYVHKOKFPDJSG-UHFFFAOYSA-N 1 0 360.886 2.245 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3scnc3C)C[C@@H]2C1 ZINC001048827219 675015870 /nfs/dbraw/zinc/01/58/70/675015870.db2.gz XIENSKFEULMSFV-TWMKSMIVSA-N 1 0 361.511 2.323 20 30 FEEDRO CCOC(=O)N[C@H]1CCC[N@H+](CCC(=O)Nc2sccc2C#N)C1 ZINC000052868848 670318518 /nfs/dbraw/zinc/31/85/18/670318518.db2.gz AGDGJBULYYODJD-ZDUSSCGKSA-N 1 0 350.444 2.159 20 30 FEEDRO C=C(Br)CNC(=O)NC[C@H](C(CC)CC)[NH+]1CCOCC1 ZINC000069245471 670482429 /nfs/dbraw/zinc/48/24/29/670482429.db2.gz ZOBORAHSEMAQCS-CQSZACIVSA-N 1 0 362.312 2.331 20 30 FEEDRO C[NH+]=C(NCc1cc(F)ccc1F)NCC1(C(=O)N(C)C)CCCC1 ZINC000085429309 670680335 /nfs/dbraw/zinc/68/03/35/670680335.db2.gz USYSHGCOTOZDPK-UHFFFAOYSA-N 1 0 352.429 2.278 20 30 FEEDRO C[NH+]=C(NCc1cnc(N(C)C)n1C)N(C)Cc1ccc(Cl)s1 ZINC000087208647 670685918 /nfs/dbraw/zinc/68/59/18/670685918.db2.gz COAZUNDLPYKVLH-UHFFFAOYSA-N 1 0 354.911 2.408 20 30 FEEDRO CC[C@@H](CSC)[N@H+](C)CN1CC(=O)N(Cc2ccccc2C#N)C1=O ZINC000091024758 670716191 /nfs/dbraw/zinc/71/61/91/670716191.db2.gz YYWFPTPNSFVVEU-INIZCTEOSA-N 1 0 360.483 2.353 20 30 FEEDRO COc1ccc(NC(=[NH2+])NC[C@@H]2CCN(CC(F)(F)F)C2)cc1OC ZINC000104172278 670790623 /nfs/dbraw/zinc/79/06/23/670790623.db2.gz UROMXICGMAFVOQ-NSHDSACASA-N 1 0 360.380 2.315 20 30 FEEDRO NC(C[NH+]1CCCCCC1)=NOCC(=O)NCc1ccc(Cl)cc1 ZINC000106437769 670812421 /nfs/dbraw/zinc/81/24/21/670812421.db2.gz UDZXAXLARIFTME-UHFFFAOYSA-N 1 0 352.866 2.121 20 30 FEEDRO COC(=O)c1ccc(N2CC[NH+](CCc3cccs3)CC2)c(C#N)n1 ZINC000565785552 675151339 /nfs/dbraw/zinc/15/13/39/675151339.db2.gz XIQQIESTHBFJBA-UHFFFAOYSA-N 1 0 356.451 2.166 20 30 FEEDRO C[C@@]1(CO)CCC[N@@H+]1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000571391435 670867051 /nfs/dbraw/zinc/86/70/51/670867051.db2.gz CZEGMVCPJCOTMB-KRWDZBQOSA-N 1 0 354.372 2.020 20 30 FEEDRO CC[NH+]1CCN(Cc2ccc(CNCc3nc(C#N)cs3)cc2)CC1 ZINC000571485183 670880605 /nfs/dbraw/zinc/88/06/05/670880605.db2.gz GJJHDYVGFBVGGK-UHFFFAOYSA-N 1 0 355.511 2.442 20 30 FEEDRO CC1(C[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)Cc2ccccc2C1 ZINC000574033100 671194589 /nfs/dbraw/zinc/19/45/89/671194589.db2.gz HDMDCJPMFKDYCA-UHFFFAOYSA-N 1 0 355.463 2.122 20 30 FEEDRO C=CCNS(=O)(=O)c1ccc(-c2nc([C@@H]([NH3+])CC(C)C)no2)cc1 ZINC000566216460 675194656 /nfs/dbraw/zinc/19/46/56/675194656.db2.gz YPZVBHUUANYJSY-AWEZNQCLSA-N 1 0 350.444 2.247 20 30 FEEDRO C=CCC[C@@H](CO)[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000578192837 671647677 /nfs/dbraw/zinc/64/76/77/671647677.db2.gz BOXJTLAIUDBXLC-ZDUSSCGKSA-N 1 0 362.289 2.140 20 30 FEEDRO N#Cc1ccc(OC[C@H](O)C[NH2+][C@H]2CCOC3(CCSCC3)C2)cc1 ZINC000580543546 671816797 /nfs/dbraw/zinc/81/67/97/671816797.db2.gz HUUZDDKKVFZWFO-DLBZAZTESA-N 1 0 362.495 2.332 20 30 FEEDRO CC(C)[N@H+](C)CC1CCN(S(=O)(=O)c2ccc(C#N)cc2F)CC1 ZINC000610084127 675952236 /nfs/dbraw/zinc/95/22/36/675952236.db2.gz BDWAQZXISFEKKZ-UHFFFAOYSA-N 1 0 353.463 2.438 20 30 FEEDRO C#CCSCCNC(=O)NC[C@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC000118988158 671889918 /nfs/dbraw/zinc/88/99/18/671889918.db2.gz NEVHDOAUCLLIQY-GOSISDBHSA-N 1 0 361.511 2.498 20 30 FEEDRO CC[NH+](CC)CC#C[C@@H](C)OC(=O)Cc1csc(N2CCCC2=O)n1 ZINC000121643016 671954538 /nfs/dbraw/zinc/95/45/38/671954538.db2.gz MVUIFIHWJBGBGY-CQSZACIVSA-N 1 0 363.483 2.089 20 30 FEEDRO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)CCCNC(=O)OC(C)(C)C ZINC000125198524 672008243 /nfs/dbraw/zinc/00/82/43/672008243.db2.gz VEXCHHGRZIBKND-KDOFPFPSSA-N 1 0 354.495 2.276 20 30 FEEDRO CN(C)[C@@H](C[NH2+]C[C@@H](O)COc1ccc(CC#N)cc1)c1ccsc1 ZINC000582565058 672013529 /nfs/dbraw/zinc/01/35/29/672013529.db2.gz GBQQYOBHOZVGLI-MJGOQNOKSA-N 1 0 359.495 2.446 20 30 FEEDRO CCCC[NH+]=C(NCc1ccc(C)cc1)NC[C@@H]1CCCS1(=O)=O ZINC000130673472 672078211 /nfs/dbraw/zinc/07/82/11/672078211.db2.gz FQVGBDYEMMQGAF-KRWDZBQOSA-N 1 0 351.516 2.408 20 30 FEEDRO CN(CCC#N)C[C@@H](O)C[NH2+][C@@H]1C[C@H]1c1ccc(Br)s1 ZINC000583258884 672078511 /nfs/dbraw/zinc/07/85/11/672078511.db2.gz JZQNXLIAGOKUNE-QJPTWQEYSA-N 1 0 358.305 2.162 20 30 FEEDRO C[NH+](C)[C@]1(CNC(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)CCSC1 ZINC000610497287 675975952 /nfs/dbraw/zinc/97/59/52/675975952.db2.gz YSXCAEGCPFVSJW-HKUYNNGSSA-N 1 0 358.511 2.081 20 30 FEEDRO CC(C)C[C@@](C)(C[NH3+])NS(=O)(=O)c1cccc(Br)c1C#N ZINC000583439955 672095188 /nfs/dbraw/zinc/09/51/88/672095188.db2.gz BTSVUCIEVPKSDG-AWEZNQCLSA-N 1 0 374.304 2.363 20 30 FEEDRO Cc1c2cc(C#N)ccc2sc1C(=O)NC[C@@H](C)N1CC[NH+](C)CC1 ZINC000583948969 672141848 /nfs/dbraw/zinc/14/18/48/672141848.db2.gz GURPAJAAFMEEDR-CYBMUJFWSA-N 1 0 356.495 2.447 20 30 FEEDRO COc1cccc(CN(CC[NH+](C)C)S(=O)(=O)CCC(C)(C)C#N)c1 ZINC000584200244 672165445 /nfs/dbraw/zinc/16/54/45/672165445.db2.gz RTICYJNEZACUGF-UHFFFAOYSA-N 1 0 367.515 2.328 20 30 FEEDRO C=CCn1c(=S)n(CN2CC[NH+](C3CC3)CC2)nc1-c1ccccn1 ZINC000157496747 672259536 /nfs/dbraw/zinc/25/95/36/672259536.db2.gz WSNJJGAUCBFQMR-UHFFFAOYSA-N 1 0 356.499 2.400 20 30 FEEDRO CC[NH+]=C(NCc1cccc(OCC)c1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000158568401 672270479 /nfs/dbraw/zinc/27/04/79/672270479.db2.gz FRWLYHOHUMCDFC-UHFFFAOYSA-N 1 0 367.515 2.060 20 30 FEEDRO C#CCSCCNC(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000172400344 672341627 /nfs/dbraw/zinc/34/16/27/672341627.db2.gz XVMLIFAZRSUYRO-GOSISDBHSA-N 1 0 361.511 2.498 20 30 FEEDRO C#CCNC(=O)[C@H](C)[NH+]1CCC(CN(CC)C(=O)OC(C)(C)C)CC1 ZINC000173927267 672355958 /nfs/dbraw/zinc/35/59/58/672355958.db2.gz AYLKNNIZJPUTFN-HNNXBMFYSA-N 1 0 351.491 2.093 20 30 FEEDRO C[C@@H](CNC(=O)c1c(Cl)cc(C#N)cc1Cl)C[NH+]1CCN(C)CC1 ZINC000611094227 676016814 /nfs/dbraw/zinc/01/68/14/676016814.db2.gz BNXIIGSXYGVCGA-LBPRGKRZSA-N 1 0 369.296 2.478 20 30 FEEDRO C[NH+](C)C[C@H](CO)NC(=O)c1ccccc1Sc1ccccc1C#N ZINC000588864469 672486500 /nfs/dbraw/zinc/48/65/00/672486500.db2.gz JIPLKXAJBSSGMV-OAHLLOKOSA-N 1 0 355.463 2.362 20 30 FEEDRO C[C@H](OC[C@H](O)C[NH+]1CCN(CCC#N)CC1)c1ccc(Cl)cc1 ZINC000611174981 676022736 /nfs/dbraw/zinc/02/27/36/676022736.db2.gz QGPKNCQEEHKYLZ-MAUKXSAKSA-N 1 0 351.878 2.310 20 30 FEEDRO CN1CCO[C@@H]([C@@H]([NH2+]C2CCN(CC#N)CC2)c2ccc(Cl)cc2)C1 ZINC000611264518 676028696 /nfs/dbraw/zinc/02/86/96/676028696.db2.gz HXNSWBSVDUQFRX-MOPGFXCFSA-N 1 0 362.905 2.289 20 30 FEEDRO N#Cc1cc(Cl)c(C(=O)N[C@H]2CCC[N@@H+](CCCO)C2)c(Cl)c1 ZINC000590774474 672616703 /nfs/dbraw/zinc/61/67/03/672616703.db2.gz CETDLGQBDNCNAX-LBPRGKRZSA-N 1 0 356.253 2.442 20 30 FEEDRO C[C@@H](CO)C[NH+]1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 ZINC000611530641 676042748 /nfs/dbraw/zinc/04/27/48/676042748.db2.gz DNNZILOWXDJQPZ-CJNGLKHVSA-N 1 0 352.276 2.260 20 30 FEEDRO CN(CCC#N)C[C@@H](O)C[NH2+]CCc1ccc(Br)cc1Cl ZINC000591767843 672709548 /nfs/dbraw/zinc/70/95/48/672709548.db2.gz SILXYVASZWHBJA-AWEZNQCLSA-N 1 0 374.710 2.441 20 30 FEEDRO C[N@@H+]1CCC[C@H](CNC(=O)N2CC[C@@](O)(CC#N)C2)[C@@H]1c1cccs1 ZINC000591965246 672727285 /nfs/dbraw/zinc/72/72/85/672727285.db2.gz HKOMVBRPCDTMJQ-KYJSFNMBSA-N 1 0 362.499 2.191 20 30 FEEDRO CC[C@@H]1CN(S(=O)(=O)c2ccc(C#N)c(Br)c2)CC[C@H]1[NH3+] ZINC000592381770 672794929 /nfs/dbraw/zinc/79/49/29/672794929.db2.gz DNQAJSIPBDPIJM-QMTHXVAHSA-N 1 0 372.288 2.069 20 30 FEEDRO CC[C@H]1CN(S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)CC[C@@H]1[NH3+] ZINC000592382223 672795342 /nfs/dbraw/zinc/79/53/42/672795342.db2.gz MWWBGRAEXHPQDD-HZMBPMFUSA-N 1 0 361.389 2.325 20 30 FEEDRO CS(=O)(=O)N1CCC(C[NH2+]Cc2cccc(OCCCC#N)c2)CC1 ZINC000237367043 672809310 /nfs/dbraw/zinc/80/93/10/672809310.db2.gz PAZABYAUYRFDGI-UHFFFAOYSA-N 1 0 365.499 2.130 20 30 FEEDRO CCc1cnc(CCNC(=[NH+]C)N2CC(=O)N(C(C)C)C(C)(C)C2)s1 ZINC000261656433 672900969 /nfs/dbraw/zinc/90/09/69/672900969.db2.gz BJFPDFYKDOXURN-UHFFFAOYSA-N 1 0 365.547 2.155 20 30 FEEDRO CC[NH+]=C(NC[C@@H]1CCCO1)N[C@H]1CCN(c2ncccc2Cl)C1 ZINC000261973693 672906528 /nfs/dbraw/zinc/90/65/28/672906528.db2.gz NGIFHUXNLZDQER-KBPBESRZSA-N 1 0 351.882 2.048 20 30 FEEDRO C[NH+]=C(NCc1ccc(F)c(Cl)c1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261984923 672907092 /nfs/dbraw/zinc/90/70/92/672907092.db2.gz PURITVPPHAYSGT-UHFFFAOYSA-N 1 0 361.870 2.064 20 30 FEEDRO O=S1(=O)CC[C@H](CNC(N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)=[NH+]C2CC2)C1 ZINC000262222417 672911058 /nfs/dbraw/zinc/91/10/58/672911058.db2.gz KQWYRVCOBKOSFP-KYHPRHEASA-N 1 0 367.559 2.478 20 30 FEEDRO C[C@]1(CNC(NC[C@@H]2CCS(=O)(=O)C2)=[NH+]C2CCCC2)CCCS1 ZINC000262363495 672914407 /nfs/dbraw/zinc/91/44/07/672914407.db2.gz HGVSAIWVEVIZGQ-WMLDXEAASA-N 1 0 373.588 2.185 20 30 FEEDRO O=S1(=O)CC[C@H](CNC(=[NH+]C2CCCC2)N2CC[C@H](C3CC3)C2)C1 ZINC000262431206 672915638 /nfs/dbraw/zinc/91/56/38/672915638.db2.gz SMYHQSYXRIXWOO-ZBFHGGJFSA-N 1 0 353.532 2.041 20 30 FEEDRO C[C@H]1CN(C(=[NH2+])NCCOc2ncc(C(F)(F)F)cc2Cl)CCO1 ZINC000262446016 672915925 /nfs/dbraw/zinc/91/59/25/672915925.db2.gz IQDYKBCEQMPVBO-VIFPVBQESA-N 1 0 366.771 2.168 20 30 FEEDRO C[C@H](CNC(=[NH2+])N1CCO[C@H](C)C1)Oc1cccc(Br)c1 ZINC000262501477 672916968 /nfs/dbraw/zinc/91/69/68/672916968.db2.gz YNDUFHNHOUATRZ-VXGBXAGGSA-N 1 0 356.264 2.252 20 30 FEEDRO [NH2+]=C(NCc1cc(F)c(Cl)cc1F)N1CCN(c2ncccn2)CC1 ZINC000262885595 672922839 /nfs/dbraw/zinc/92/28/39/672922839.db2.gz WJMMRORYQXAVOG-UHFFFAOYSA-N 1 0 366.803 2.045 20 30 FEEDRO C[NH+](C)[C@@H]1CCCN(C(=O)Cc2ccc(Br)cc2C#N)C1 ZINC000593448235 672924686 /nfs/dbraw/zinc/92/46/86/672924686.db2.gz LERFVGSMOVDOTN-OAHLLOKOSA-N 1 0 350.260 2.416 20 30 FEEDRO CN(C(=O)Cc1ccc(Br)cc1C#N)[C@H]1C[NH+]2CCC1CC2 ZINC000593461883 672926955 /nfs/dbraw/zinc/92/69/55/672926955.db2.gz STJDSOZLYWKYJI-INIZCTEOSA-N 1 0 362.271 2.416 20 30 FEEDRO CCOCCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccsc2C#N)[C@@H](C)C1 ZINC000593546324 672938973 /nfs/dbraw/zinc/93/89/73/672938973.db2.gz JUFCTJCMUJICNP-UONOGXRCSA-N 1 0 371.528 2.035 20 30 FEEDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)Cc3ccc(Br)cc3C#N)[C@H]2C1 ZINC000593589998 672952377 /nfs/dbraw/zinc/95/23/77/672952377.db2.gz WPPPFVDUKIDWQG-WBMJQRKESA-N 1 0 362.271 2.416 20 30 FEEDRO C[NH+](C)C1(CNC(=O)Cc2ccc(Br)cc2C#N)CCC1 ZINC000593641101 672967660 /nfs/dbraw/zinc/96/76/60/672967660.db2.gz WAVPXWIJSSNDKW-UHFFFAOYSA-N 1 0 350.260 2.464 20 30 FEEDRO COc1ccc(NC(=[NH2+])NC[C@@H](C(C)C)N2CCOCC2)cc1Cl ZINC000303783930 673017547 /nfs/dbraw/zinc/01/75/47/673017547.db2.gz ORKVZQQUUILIGP-HNNXBMFYSA-N 1 0 354.882 2.432 20 30 FEEDRO CC(C)OC(=O)CCNC(=[NH2+])N1CCN(c2ccc(Cl)cc2)CC1 ZINC000303784900 673017596 /nfs/dbraw/zinc/01/75/96/673017596.db2.gz PWFBILKSJBLWDJ-UHFFFAOYSA-N 1 0 352.866 2.118 20 30 FEEDRO CCCNC(=[NH2+])NC[C@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1 ZINC000303990114 673019698 /nfs/dbraw/zinc/01/96/98/673019698.db2.gz YGTOOZLNWLLOGJ-OAHLLOKOSA-N 1 0 358.408 2.393 20 30 FEEDRO CCOCCCNC(=[NH2+])NC[C@H](c1ccc(Cl)cc1)N1CCOCC1 ZINC000303986732 673019744 /nfs/dbraw/zinc/01/97/44/673019744.db2.gz UTPNQKNDJMQPJS-QGZVFWFLSA-N 1 0 368.909 2.044 20 30 FEEDRO CC(C)(CNC(=[NH2+])NCCCN1CCOCC1)c1ccccc1Cl ZINC000303984497 673019774 /nfs/dbraw/zinc/01/97/74/673019774.db2.gz SARPTMJRDPNIKF-UHFFFAOYSA-N 1 0 352.910 2.244 20 30 FEEDRO [NH2+]=C(NC[C@@H](c1cccc(Cl)c1)N1CCOCC1)NCC1CCC1 ZINC000303976703 673019799 /nfs/dbraw/zinc/01/97/99/673019799.db2.gz KKAKEZYZZAPLOB-KRWDZBQOSA-N 1 0 350.894 2.418 20 30 FEEDRO CCc1ccc(NC(=[NH2+])NCCOc2ccc(S(C)(=O)=O)cc2)cc1 ZINC000304755448 673020685 /nfs/dbraw/zinc/02/06/85/673020685.db2.gz MTIQCVYLJFNPCW-UHFFFAOYSA-N 1 0 361.467 2.458 20 30 FEEDRO Cc1csc([C@@H](C)CNC(=[NH2+])N2CCN(C(=O)OC(C)(C)C)CC2)n1 ZINC000305804739 673021697 /nfs/dbraw/zinc/02/16/97/673021697.db2.gz FZYWJVOOKQQNLV-LBPRGKRZSA-N 1 0 367.519 2.422 20 30 FEEDRO CCCS(=O)(=O)Nc1cccc(NC(=O)[C@@H]([NH3+])CCCCC#N)c1C ZINC000594431082 673070915 /nfs/dbraw/zinc/07/09/15/673070915.db2.gz HBRAQJIJJIHRSP-AWEZNQCLSA-N 1 0 366.487 2.497 20 30 FEEDRO N#CCCCC[C@@H]([NH3+])C(=O)NCCOc1cccc(Br)c1 ZINC000594431131 673071230 /nfs/dbraw/zinc/07/12/30/673071230.db2.gz IFQRJEUTEPAOOT-CQSZACIVSA-N 1 0 354.248 2.355 20 30 FEEDRO CN1CC[C@@H]([NH+]2CCC(NC(=O)Cc3ccc(O)cc3Cl)CC2)C1=O ZINC000329158598 673072711 /nfs/dbraw/zinc/07/27/11/673072711.db2.gz DOFPGRPKSFPDCC-MRXNPFEDSA-N 1 0 365.861 2.240 20 30 FEEDRO CC(C)C(=O)N1CCC(NC(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)CC1 ZINC000329634127 673080617 /nfs/dbraw/zinc/08/06/17/673080617.db2.gz XASYCYOFQYNXJR-KRWDZBQOSA-N 1 0 350.507 2.154 20 30 FEEDRO C=CCOC[C@@H]1NC(=O)N(C[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)C1=O ZINC000348579704 673116061 /nfs/dbraw/zinc/11/60/61/673116061.db2.gz YEODMAVQLAZBGQ-OFQRWUPVSA-N 1 0 363.483 2.254 20 30 FEEDRO CCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)C1 ZINC000595352688 673230674 /nfs/dbraw/zinc/23/06/74/673230674.db2.gz BHBIBASJMBBGOX-GFCCVEGCSA-N 1 0 361.389 2.340 20 30 FEEDRO CN(CCC#N)C(=O)CC[N@@H+]1CCCN(c2cccc(F)c2F)CC1 ZINC000595505877 673258876 /nfs/dbraw/zinc/25/88/76/673258876.db2.gz ZZKYKHYDIXFHBU-UHFFFAOYSA-N 1 0 350.413 2.239 20 30 FEEDRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)N2CCN(c3ccsc3C#N)CC2)C1 ZINC000595704371 673283977 /nfs/dbraw/zinc/28/39/77/673283977.db2.gz QARVUMXCKNBKFQ-CQSZACIVSA-N 1 0 361.515 2.324 20 30 FEEDRO C[C@H](c1ccccc1)[C@@H](CO)[NH2+]CCS(=O)(=O)c1cccc(C#N)c1 ZINC000613390102 676127021 /nfs/dbraw/zinc/12/70/21/676127021.db2.gz WPLIHNZGJDUVPU-DNVCBOLYSA-N 1 0 358.463 2.086 20 30 FEEDRO N#Cc1ccc(CN2CCC([N@@H+]3CC[C@H](O)C3)CC2)c(Br)c1 ZINC000595862325 673331132 /nfs/dbraw/zinc/33/11/32/673331132.db2.gz ACDLRYQQTXZINO-INIZCTEOSA-N 1 0 364.287 2.352 20 30 FEEDRO c1ccc2sc(N=NC3CC[NH+](CCN4CCOCC4)CC3)nc2c1 ZINC000731560911 673334410 /nfs/dbraw/zinc/33/44/10/673334410.db2.gz ZREXGAKWCGATNL-UHFFFAOYSA-N 1 0 359.499 2.492 20 30 FEEDRO CCCOc1ccc2c(c1)C(=NNC(=S)NCCC[NH+](C)C)CCO2 ZINC000731928006 673348293 /nfs/dbraw/zinc/34/82/93/673348293.db2.gz ACEAXTANLHNNSM-UHFFFAOYSA-N 1 0 364.515 2.378 20 30 FEEDRO C[C@H](c1ccccc1)[C@H](O)C[NH2+]CCS(=O)(=O)c1cccc(C#N)c1 ZINC000596068221 673355481 /nfs/dbraw/zinc/35/54/81/673355481.db2.gz GESVQKRYPHDASX-DNVCBOLYSA-N 1 0 358.463 2.086 20 30 FEEDRO N#Cc1sccc1N1CCN(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000596151313 673363465 /nfs/dbraw/zinc/36/34/65/673363465.db2.gz HHKWQYCRZNAXBG-CABCVRRESA-N 1 0 359.499 2.078 20 30 FEEDRO C=CC[C@@H](CO)CNC(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000537112695 673383488 /nfs/dbraw/zinc/38/34/88/673383488.db2.gz HCCOJZWKYGHBSO-MRXNPFEDSA-N 1 0 355.548 2.222 20 30 FEEDRO C=CCc1ccccc1OC[C@H](O)CN1C[C@H](SC)[C@@H]([NH+](C)C)C1 ZINC000537288894 673385366 /nfs/dbraw/zinc/38/53/66/673385366.db2.gz DLUHHEXPOFSOBT-AOIWGVFYSA-N 1 0 350.528 2.132 20 30 FEEDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)N1CCN(c2ccsc2C#N)CC1 ZINC000596478606 673388720 /nfs/dbraw/zinc/38/87/20/673388720.db2.gz HTILUXGKVLHEEZ-HNNXBMFYSA-N 1 0 361.515 2.326 20 30 FEEDRO N#Cc1ccc(N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c(Br)c1 ZINC000596537848 673392455 /nfs/dbraw/zinc/39/24/55/673392455.db2.gz IIJWAJRTOUKRAW-CQSZACIVSA-N 1 0 350.260 2.356 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H](CC(=O)OCC)C(F)(F)F)CC1 ZINC000597010480 673437685 /nfs/dbraw/zinc/43/76/85/673437685.db2.gz JMPABRQSCRIBBU-CYBMUJFWSA-N 1 0 365.396 2.210 20 30 FEEDRO C[C@@H]1CCCC[C@H]1[NH+]1CCC(N=Nc2ccc(S(N)(=O)=O)cn2)CC1 ZINC000733901836 673443306 /nfs/dbraw/zinc/44/33/06/673443306.db2.gz VQRDSYJWDSYGMM-CZUORRHYSA-N 1 0 365.503 2.171 20 30 FEEDRO C=CCCSCCNC(=O)C(=O)NC[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000597224036 673457998 /nfs/dbraw/zinc/45/79/98/673457998.db2.gz BZEHVOCHXCJDOW-YJBOKZPZSA-N 1 0 355.548 2.039 20 30 FEEDRO CC(C)(C#N)C[C@@H](O)C[NH2+][C@](C)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000598598268 673587936 /nfs/dbraw/zinc/58/79/36/673587936.db2.gz PDUQKKFMNIBZAQ-CJNGLKHVSA-N 1 0 357.376 2.296 20 30 FEEDRO CC(C)N(C)S(=O)(=O)c1ccc(C[NH2+]C[C@H](O)CC(C)(C)C#N)cc1 ZINC000598699264 673599888 /nfs/dbraw/zinc/59/98/88/673599888.db2.gz DQOKDPSFIZQEHR-MRXNPFEDSA-N 1 0 367.515 2.106 20 30 FEEDRO CC(C)(C#N)C[C@H](O)C[NH2+]C1CCN(C(=O)c2cc(Cl)c[nH]2)CC1 ZINC000598728410 673603762 /nfs/dbraw/zinc/60/37/62/673603762.db2.gz RXHUIZNRXDHFDF-AWEZNQCLSA-N 1 0 352.866 2.163 20 30 FEEDRO CC(C)S(=O)(=O)CCC[NH2+]C1(c2ccc(C#N)cc2)CCOCC1 ZINC000599632194 673700056 /nfs/dbraw/zinc/70/00/56/673700056.db2.gz TZBULLFTQVRTMN-UHFFFAOYSA-N 1 0 350.484 2.367 20 30 FEEDRO CN(CC(=O)Nc1sc2c(c1C#N)CCCCC2)[C@H]1C[C@@H](C(N)=O)C1 ZINC000599644525 673701301 /nfs/dbraw/zinc/70/13/01/673701301.db2.gz JYMCBKGBAFTWSF-TXEJJXNPSA-N 1 0 360.483 2.023 20 30 FEEDRO C#CCOc1ccc(Br)cc1C[NH2+]C[C@H](O)c1cnn(C)c1 ZINC000742376606 673725980 /nfs/dbraw/zinc/72/59/80/673725980.db2.gz ZFUMQEAPYBIBGP-HNNXBMFYSA-N 1 0 364.243 2.018 20 30 FEEDRO C[NH+](C)CC1(NS(=O)(=O)c2ccc(C#N)c(Br)c2)CCC1 ZINC000544864514 673737613 /nfs/dbraw/zinc/73/76/13/673737613.db2.gz GCYDUOBYDAAMCM-UHFFFAOYSA-N 1 0 372.288 2.083 20 30 FEEDRO N#CC1(C[C@@H](O)C[NH2+]Cc2cc(Cl)cc3c2OCC3)CCOCC1 ZINC000600733092 673795116 /nfs/dbraw/zinc/79/51/16/673795116.db2.gz AZZOPGQXQQNHFK-MRXNPFEDSA-N 1 0 350.846 2.436 20 30 FEEDRO N#CC1(C[C@@H](O)C[NH2+]C[C@H](O)COc2cccc(C(F)(F)F)c2)CC1 ZINC000600745500 673795803 /nfs/dbraw/zinc/79/58/03/673795803.db2.gz RHYFBRVWXKRJTN-KGLIPLIRSA-N 1 0 358.360 2.089 20 30 FEEDRO N#Cc1ccccc1CSCC[NH2+]Cc1cn(C[C@H]2CCOC2)nn1 ZINC000601100621 673826119 /nfs/dbraw/zinc/82/61/19/673826119.db2.gz WHNOMPNBFMXWDD-OAHLLOKOSA-N 1 0 357.483 2.209 20 30 FEEDRO N#CCc1ccc(CS(=O)(=O)NCC[C@H]([NH3+])Cc2ccccc2)cc1 ZINC000601345494 673846054 /nfs/dbraw/zinc/84/60/54/673846054.db2.gz VKTZUESQKFHVIY-IBGZPJMESA-N 1 0 357.479 2.132 20 30 FEEDRO Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000601354693 673846942 /nfs/dbraw/zinc/84/69/42/673846942.db2.gz UCMVFUFIKDFKSA-AWEZNQCLSA-N 1 0 351.447 2.112 20 30 FEEDRO Cc1cc(F)cc(C#N)c1S(=O)(=O)N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000601414918 673858344 /nfs/dbraw/zinc/85/83/44/673858344.db2.gz MFAQSRJUQONQFC-BBRMVZONSA-N 1 0 351.447 2.253 20 30 FEEDRO C[C@@H]1[C@H]([NH+](C)C)CCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000601421620 673859791 /nfs/dbraw/zinc/85/97/91/673859791.db2.gz IILROSIEZQAXFF-ZWNOBZJWSA-N 1 0 361.389 2.290 20 30 FEEDRO CC1([NH+]2CCCC2)CCN(S(=O)(=O)c2ccc(C#N)cc2F)CC1 ZINC000601496465 673870403 /nfs/dbraw/zinc/87/04/03/673870403.db2.gz FVLSAVDIKPIEOM-UHFFFAOYSA-N 1 0 351.447 2.336 20 30 FEEDRO CC1([NH+]2CCCC2)CCN(S(=O)(=O)Cc2ccc(F)cc2C#N)CC1 ZINC000601497416 673870725 /nfs/dbraw/zinc/87/07/25/673870725.db2.gz VORODMRJMOKFCF-UHFFFAOYSA-N 1 0 365.474 2.477 20 30 FEEDRO N#Cc1ccc(Cl)cc1NC(=O)CN1CCC[C@H](n2ccnn2)CC1 ZINC000602888425 673912819 /nfs/dbraw/zinc/91/28/19/673912819.db2.gz MSKHFGHBQCMEFT-HNNXBMFYSA-N 1 0 358.833 2.469 20 30 FEEDRO COc1cc(C#N)ccc1S(=O)(=O)N1CCCC[C@H]1[C@@H](C)C[NH+](C)C ZINC000603391943 673929410 /nfs/dbraw/zinc/92/94/10/673929410.db2.gz VLVNCASRJBQLSG-HOCLYGCPSA-N 1 0 365.499 2.308 20 30 FEEDRO CN(CCC#N)C[C@H](O)C[NH2+]C[C@@H](c1ccccc1Cl)N1CCCC1 ZINC000567680233 675311920 /nfs/dbraw/zinc/31/19/20/675311920.db2.gz UGDWSPQSWAVDDR-APWZRJJASA-N 1 0 364.921 2.273 20 30 FEEDRO CC(=O)N[C@H]1CCC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000603890959 675801732 /nfs/dbraw/zinc/80/17/32/675801732.db2.gz WSWBWGLHODSKFO-ZDUSSCGKSA-N 1 0 360.483 2.038 20 30 FEEDRO C[NH+](C)C[C@@H](NC(=O)NC1CCN(CC#N)CC1)c1ccc(Cl)cc1 ZINC000619817548 676396198 /nfs/dbraw/zinc/39/61/98/676396198.db2.gz CTZFYBLQUQELGQ-QGZVFWFLSA-N 1 0 363.893 2.230 20 30 FEEDRO C=CCOc1c(Cl)cc(C[NH2+]CCC(=O)N2CCOCC2)cc1OC ZINC000623365982 676531099 /nfs/dbraw/zinc/53/10/99/676531099.db2.gz MKWTYHBGLAGJKQ-UHFFFAOYSA-N 1 0 368.861 2.252 20 30 FEEDRO C=CC[C@]1(C(=O)NC[C@@H](C)c2ccc(S(C)(=O)=O)cc2)CCC[NH2+]1 ZINC000639017505 677152865 /nfs/dbraw/zinc/15/28/65/677152865.db2.gz HLZICTJTGVCAQU-RDTXWAMCSA-N 1 0 350.484 2.008 20 30 FEEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000642901933 677222290 /nfs/dbraw/zinc/22/22/90/677222290.db2.gz HCGSYZIPGRMLJJ-GFCCVEGCSA-N 1 0 355.891 2.174 20 30 FEEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000642980878 677222628 /nfs/dbraw/zinc/22/26/28/677222628.db2.gz NVGAGFOWRIISLS-LBPRGKRZSA-N 1 0 355.891 2.174 20 30 FEEDRO C=CCc1cc(CNC(=O)[C@H]2C[NH2+]CCC2(F)F)cc(OC)c1OC ZINC000643985571 677235887 /nfs/dbraw/zinc/23/58/87/677235887.db2.gz ZMZCBBMXERVLPY-CQSZACIVSA-N 1 0 354.397 2.293 20 30 FEEDRO C#CC[N@@H+](C)CCCNC(=O)N[C@@H](C)[C@@H](O)c1c(F)cccc1Cl ZINC000838623203 680706810 /nfs/dbraw/zinc/70/68/10/680706810.db2.gz UYODEWNIHQPTCR-BLLLJJGKSA-N 1 0 355.841 2.155 20 30 FEEDRO C=CCC[C@@H](CO)NC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000659581913 678190488 /nfs/dbraw/zinc/19/04/88/678190488.db2.gz XFUNBZGCMSYRMR-JJRVBVJISA-N 1 0 353.413 2.037 20 30 FEEDRO C#CC[N@H+](CC#CC)CCC(=O)Nc1sc2c(c1C(N)=O)CCCC2 ZINC000839496423 680756890 /nfs/dbraw/zinc/75/68/90/680756890.db2.gz NGPLYWLIFJAWEE-UHFFFAOYSA-N 1 0 357.479 2.013 20 30 FEEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]CCC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000661118034 678437111 /nfs/dbraw/zinc/43/71/11/678437111.db2.gz VQLDUQQGNMOREK-YOEHRIQHSA-N 1 0 365.499 2.387 20 30 FEEDRO C=CCC1([NH2+]CC(=O)N(CCCC)[C@H]2CCS(=O)(=O)C2)CCCC1 ZINC000661848097 678541747 /nfs/dbraw/zinc/54/17/47/678541747.db2.gz AEALNSNODKRBAA-INIZCTEOSA-N 1 0 356.532 2.281 20 30 FEEDRO C=CCC1([NH2+]CC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)CCCC1 ZINC000661851182 678542129 /nfs/dbraw/zinc/54/21/29/678542129.db2.gz NGUYNHOCCODLBT-QGZVFWFLSA-N 1 0 368.543 2.423 20 30 FEEDRO C=CCC1([NH2+]CC(=O)Nc2cc(S(N)(=O)=O)ccc2Cl)CCCC1 ZINC000661852417 678542463 /nfs/dbraw/zinc/54/24/63/678542463.db2.gz UIPVQUTXHCRRHP-UHFFFAOYSA-N 1 0 371.890 2.404 20 30 FEEDRO C=CC[C@@]1(C(=O)N(CC)CC(=O)Nc2c(F)cccc2F)CCC[NH2+]1 ZINC000662441062 678621518 /nfs/dbraw/zinc/62/15/18/678621518.db2.gz HSJBBAJKOWYSDA-SFHVURJKSA-N 1 0 351.397 2.450 20 30 FEEDRO C=CC[C@]1(C(=O)NCCc2cc(Cl)c3c(c2)OCCO3)CCC[NH2+]1 ZINC000662461168 678624628 /nfs/dbraw/zinc/62/46/28/678624628.db2.gz QLLZTOMXEYJPMV-GOSISDBHSA-N 1 0 350.846 2.468 20 30 FEEDRO C=CCNC(=O)Nc1ccc(NC(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)cc1 ZINC000662461473 678624634 /nfs/dbraw/zinc/62/46/34/678624634.db2.gz BYNHNFGVZBHEAW-OAHLLOKOSA-N 1 0 356.348 2.475 20 30 FEEDRO C=CC[C@]1(C(=O)NCCCc2nnc(SC)n2CC(C)C)CCC[NH2+]1 ZINC000662504434 678631010 /nfs/dbraw/zinc/63/10/10/678631010.db2.gz GSUJTVGAHLLUSS-GOSISDBHSA-N 1 0 365.547 2.403 20 30 FEEDRO C=CC[C@]1(C(=O)Nc2ccc(NS(=O)(=O)CCC)cc2)CCC[NH2+]1 ZINC000662538720 678635843 /nfs/dbraw/zinc/63/58/43/678635843.db2.gz LXJKKEILGFJMEW-QGZVFWFLSA-N 1 0 351.472 2.475 20 30 FEEDRO C=CC[C@]1(C(=O)N2CCN(c3ncnc4sccc43)CC2)CCC[NH2+]1 ZINC000662674147 678649313 /nfs/dbraw/zinc/64/93/13/678649313.db2.gz WNSSLTOATKYJDD-GOSISDBHSA-N 1 0 357.483 2.038 20 30 FEEDRO C=C[C@H](CO)[NH2+]C1CCC(NC(=O)COc2ccc(Cl)cc2)CC1 ZINC000668756999 679198476 /nfs/dbraw/zinc/19/84/76/679198476.db2.gz YBIBXRHQGWHZHH-QQFBHYJXSA-N 1 0 352.862 2.283 20 30 FEEDRO C=C(C)Cn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N(C)CC(F)(F)F ZINC000669336218 679229958 /nfs/dbraw/zinc/22/99/58/679229958.db2.gz BWSAAKKZEUKBES-OLZOCXBDSA-N 1 0 359.396 2.388 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CC[NH+](C(C)(C)CO)CC1 ZINC000673894922 679453692 /nfs/dbraw/zinc/45/36/92/679453692.db2.gz INKYIWQMNYYQKI-MRXNPFEDSA-N 1 0 365.543 2.040 20 30 FEEDRO C#CC[N@H+]1CCC[C@@H]1COC(=O)[C@@H](CC(F)F)NC(=O)OC(C)(C)C ZINC000765942964 680860461 /nfs/dbraw/zinc/86/04/61/680860461.db2.gz ULRPHHPPWTUGPI-CHWSQXEVSA-N 1 0 360.401 2.176 20 30 FEEDRO C=CCNS(=O)(=O)c1cccc(C(=O)OCCC[NH+]2CCCCC2)c1 ZINC000747758532 679901677 /nfs/dbraw/zinc/90/16/77/679901677.db2.gz LLDINFVRQJQRBO-UHFFFAOYSA-N 1 0 366.483 2.184 20 30 FEEDRO C#CCN(CC(=O)N(C)[C@H](C)C1CC[NH+](C)CC1)C(=O)OC(C)(C)C ZINC000831453448 679984536 /nfs/dbraw/zinc/98/45/36/679984536.db2.gz HFEIKCNZWZDTIR-OAHLLOKOSA-N 1 0 351.491 2.045 20 30 FEEDRO C#CCC[NH+]1CCC(NS(=O)(=O)c2ccc(OC)c(C)c2C)CC1 ZINC000748672562 679986339 /nfs/dbraw/zinc/98/63/39/679986339.db2.gz WUVIMXVEMYBPKH-UHFFFAOYSA-N 1 0 350.484 2.078 20 30 FEEDRO C=C(C)C[N@@H+]1CC[C@@]2(NC(=O)[C@@H]3OCCO[C@@H]3C(F)(F)F)CCC[C@H]12 ZINC000991383707 680079607 /nfs/dbraw/zinc/07/96/07/680079607.db2.gz IYHIUPLWKUXEAU-FQLMCAECSA-N 1 0 362.392 2.022 20 30 FEEDRO C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2OCCO[C@@H]2c2ccccc2)C1 ZINC001020254125 680103724 /nfs/dbraw/zinc/10/37/24/680103724.db2.gz VCVDWDKBVIZYLB-QBPKDAKJSA-N 1 0 350.846 2.132 20 30 FEEDRO C=CCNC(=O)C[N@H+]1CCC[C@@H]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000832250033 680115962 /nfs/dbraw/zinc/11/59/62/680115962.db2.gz DKJWCKHBIVSDKN-HZPDHXFCSA-N 1 0 351.491 2.258 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@]2(C)CN(Cc3cscn3)C[C@@]2(C)C1 ZINC000982573901 680281187 /nfs/dbraw/zinc/28/11/87/680281187.db2.gz GMJJMQVCZYNKOJ-JFRXWTBNSA-N 1 0 361.511 2.405 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]([NH2+]Cc2cc(OC)ns2)C(C)(C)C1 ZINC000996332354 680328705 /nfs/dbraw/zinc/32/87/05/680328705.db2.gz YTYHTLHJFDHNRT-ILXRZTDVSA-N 1 0 365.499 2.069 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@H]([NH2+]Cc2cnns2)C(C)(C)C1 ZINC000996393998 680330974 /nfs/dbraw/zinc/33/09/74/680330974.db2.gz NGQPIHDZVIVYNS-JYJNAYRXSA-N 1 0 364.515 2.236 20 30 FEEDRO C=C(C)C[N@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)CC1 ZINC000998067511 680374251 /nfs/dbraw/zinc/37/42/51/680374251.db2.gz VHGYSXBPWHFEJT-ZSYWTGECSA-N 1 0 350.503 2.317 20 30 FEEDRO C=C(Cl)C[NH2+]C1CC(N(C)C(=O)[C@@H]2OCCO[C@@H]2c2ccccc2)C1 ZINC000998914646 680391483 /nfs/dbraw/zinc/39/14/83/680391483.db2.gz BRDIJOXCJNUHBT-OPQOLIRYSA-N 1 0 364.873 2.475 20 30 FEEDRO C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2OCCO[C@@H]2c2ccccc2)C1 ZINC000999397950 680401857 /nfs/dbraw/zinc/40/18/57/680401857.db2.gz AOWXZNPOWRTYIY-KZNAEPCWSA-N 1 0 364.873 2.476 20 30 FEEDRO C=C(Br)C[NH2+]C1CC(N(C)C(=O)[C@H]2CCO[C@H]2C(=C)C)C1 ZINC000999540288 680405628 /nfs/dbraw/zinc/40/56/28/680405628.db2.gz UMZRGBJTQTVROQ-WUCCLRPBSA-N 1 0 357.292 2.455 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2cc(OC)ns2)C1 ZINC000999540438 680405729 /nfs/dbraw/zinc/40/57/29/680405729.db2.gz VSNQSPKVXKRSSC-ITMHDFIRSA-N 1 0 365.499 2.212 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)NC1(C2CC[NH+]([C@@H](C)COC)CC2)CC1 ZINC001000152112 680421495 /nfs/dbraw/zinc/42/14/95/680421495.db2.gz ATHRHYVAPYHZND-JQHSSLGASA-N 1 0 350.503 2.363 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)NC1(C2CC[NH+](C[C@@H](C)OC)CC2)CC1 ZINC001000156800 680421878 /nfs/dbraw/zinc/42/18/78/680421878.db2.gz JAILXIYDDITLRN-NXHRZFHOSA-N 1 0 350.503 2.363 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC2(C[NH+](C[C@@H](CC)OC)C2)CC1 ZINC001035707445 680451298 /nfs/dbraw/zinc/45/12/98/680451298.db2.gz JOYAVQJUXJIUEY-KURKYZTESA-N 1 0 350.503 2.317 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)NCC1CC[NH+](C[C@H]2CCCOC2)CC1 ZINC001001414166 680461355 /nfs/dbraw/zinc/46/13/55/680461355.db2.gz UQPLOTWSHCDHBI-QRVBRYPASA-N 1 0 350.503 2.222 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([N@@H+](C)CC2CC(OCC)C2)CC1 ZINC000985662408 680467750 /nfs/dbraw/zinc/46/77/50/680467750.db2.gz VASULVIUDJQRPQ-AWRGBYNESA-N 1 0 350.503 2.315 20 30 FEEDRO C=C(Cl)C(C)(C)C(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@@H]2C1 ZINC000985826137 680482705 /nfs/dbraw/zinc/48/27/05/680482705.db2.gz FWKAUYNMGFLEPP-PMPSAXMXSA-N 1 0 367.921 2.166 20 30 FEEDRO C#CC[N@H+]1CCC[C@H]1COC(=O)Cc1csc(NC(=O)C(C)(C)C)n1 ZINC000756542080 680483973 /nfs/dbraw/zinc/48/39/73/680483973.db2.gz KJZUOGDGCUIXRU-AWEZNQCLSA-N 1 0 363.483 2.311 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@]2(CC[N@@H+](Cc3scnc3C)C2)C1 ZINC001041696821 680508766 /nfs/dbraw/zinc/50/87/66/680508766.db2.gz WLLQLWYODSXPRP-JTDSTZFVSA-N 1 0 361.511 2.467 20 30 FEEDRO C[C@@H]1CN(c2ncc(C#N)cc2Cl)C[C@H]1NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001042425822 680530185 /nfs/dbraw/zinc/53/01/85/680530185.db2.gz FGICLCZJPYRFBX-WQVCFCJDSA-N 1 0 361.877 2.032 20 30 FEEDRO C=C(Cl)C[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)CC1 ZINC001004472077 680556991 /nfs/dbraw/zinc/55/69/91/680556991.db2.gz ZGTOLYBICCSTIS-BPQIPLTHSA-N 1 0 369.937 2.161 20 30 FEEDRO CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@H](Nc3snc(C)c3C#N)C2)CC[N@@H+]1C ZINC001043572989 680588415 /nfs/dbraw/zinc/58/84/15/680588415.db2.gz XZERXWDROJVXLS-WXYCVUISSA-N 1 0 361.515 2.312 20 30 FEEDRO C#CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3C[C@H]3c3sccc3C)CC2)C1 ZINC001046030671 680643099 /nfs/dbraw/zinc/64/30/99/680643099.db2.gz XOLVMJJZICDLIJ-RCCFBDPRSA-N 1 0 357.523 2.012 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N[C@]1(C)CC[N@H+](CCCC2CCOCC2)C1 ZINC001046632433 680651691 /nfs/dbraw/zinc/65/16/91/680651691.db2.gz YBIWVRIXFWFIJU-WSTZPKSXSA-N 1 0 350.503 2.365 20 30 FEEDRO C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[C@@H](Nc2nc(Cl)c(C#N)s2)C1 ZINC001047217943 680658829 /nfs/dbraw/zinc/65/88/29/680658829.db2.gz XQJQZFDYMQAHKR-QJPTWQEYSA-N 1 0 367.906 2.459 20 30 FEEDRO C=C(C)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2c(F)cccc2F)C1 ZINC001047521449 680664932 /nfs/dbraw/zinc/66/49/32/680664932.db2.gz SPKAAQORGFXZEI-OMNBBPDLSA-N 1 0 350.409 2.148 20 30 FEEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)Nc1cc(F)c(Br)c(Cl)c1 ZINC000841239001 680870559 /nfs/dbraw/zinc/87/05/59/680870559.db2.gz ZYLCRFROGVONEB-QUBYGPBYSA-N 1 0 361.602 2.475 20 30 FEEDRO Cc1nc(NC(=O)N[C@H]2C[NH2+]C[C@H]2C#N)sc1Cc1ccc(F)cc1 ZINC000841240487 680870748 /nfs/dbraw/zinc/87/07/48/680870748.db2.gz KNNHIEUBGWUCPV-OCCSQVGLSA-N 1 0 359.430 2.415 20 30 FEEDRO CC(=NNC1=[NH+]CCN1)c1ccc(Br)cc1Br ZINC000841660553 680905036 /nfs/dbraw/zinc/90/50/36/680905036.db2.gz RFQVXWDJHOYHEN-UHFFFAOYSA-N 1 0 360.053 2.484 20 30 FEEDRO C#CC[C@@H]1NC(=O)N(C[C@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)C1=O ZINC000842239972 680934167 /nfs/dbraw/zinc/93/41/67/680934167.db2.gz LEXMZNLQAYNOSX-UONOGXRCSA-N 1 0 353.344 2.252 20 30 FEEDRO C#CC[C@@H]1NC(=O)N(C[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)C1=O ZINC000842245627 680934574 /nfs/dbraw/zinc/93/45/74/680934574.db2.gz TYKNUKBYTKEALI-KCXAZCMYSA-N 1 0 363.820 2.416 20 30 FEEDRO C[C@@H](C[C@@H](O)c1ccccc1)[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000843087200 680986788 /nfs/dbraw/zinc/98/67/88/680986788.db2.gz JINZKEKBTZAURH-HNAYVOBHSA-N 1 0 358.463 2.434 20 30 FEEDRO C[C@@H](C[C@@H](O)c1cccs1)[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000843108125 680988067 /nfs/dbraw/zinc/98/80/67/680988067.db2.gz RROUSJWMVNHXHK-XJKSGUPXSA-N 1 0 364.492 2.495 20 30 FEEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)C1(c2cccc(Br)c2)CCCC1 ZINC000843463517 681004983 /nfs/dbraw/zinc/00/49/83/681004983.db2.gz XAKRJRUBMSOZEZ-SWLSCSKDSA-N 1 0 362.271 2.489 20 30 FEEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)C1(c2cccc(Br)c2)CCCC1 ZINC000843463518 681005020 /nfs/dbraw/zinc/00/50/20/681005020.db2.gz XAKRJRUBMSOZEZ-WFASDCNBSA-N 1 0 362.271 2.489 20 30 FEEDRO COC(=O)C[C@]1([NH2+]Cc2cc(Cl)ccc2OCC#N)CCCOC1 ZINC000770690820 681023840 /nfs/dbraw/zinc/02/38/40/681023840.db2.gz BQPVYEQFDVHCBY-QGZVFWFLSA-N 1 0 352.818 2.444 20 30 FEEDRO CC[NH+](CC)CC#C[C@H](C)OC(=O)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000770790719 681027664 /nfs/dbraw/zinc/02/76/64/681027664.db2.gz HQOBFXSTLOGPQM-HOTGVXAUSA-N 1 0 365.495 2.471 20 30 FEEDRO N#Cc1ccc(C[NH+]2CCC3(CN(C(=O)[C@]45C[C@H]4COC5)C3)CC2)s1 ZINC001050525245 681049727 /nfs/dbraw/zinc/04/97/27/681049727.db2.gz DJGZNDILXHMLIY-LIRRHRJNSA-N 1 0 357.479 2.081 20 30 FEEDRO C[C@@H]1CCC[N@H+](CC(=O)NCCC#N)[C@H]1CCNC(=O)OC(C)(C)C ZINC000844399032 681056484 /nfs/dbraw/zinc/05/64/84/681056484.db2.gz ZYTWNBKCHCNHJE-CABCVRRESA-N 1 0 352.479 2.032 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2snnc2C)CC1 ZINC001052389683 681076514 /nfs/dbraw/zinc/07/65/14/681076514.db2.gz YCWDCGGEOUREEY-OAGGEKHMSA-N 1 0 364.515 2.298 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CCn2cc(Cl)cn2)CC1 ZINC001052721338 681084000 /nfs/dbraw/zinc/08/40/00/681084000.db2.gz CUJQKUYOEMMRKQ-ZACQAIPSSA-N 1 0 366.893 2.098 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CCn2cc(Cl)cn2)CC1 ZINC001052721335 681084105 /nfs/dbraw/zinc/08/41/05/681084105.db2.gz CUJQKUYOEMMRKQ-BBWFWOEESA-N 1 0 366.893 2.098 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCC2(C[NH+](CC(CC)CC)C2)O1 ZINC001053663704 681102846 /nfs/dbraw/zinc/10/28/46/681102846.db2.gz ZHWNHNKTIMPISI-KSZLIROESA-N 1 0 350.503 2.363 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCC2(C[NH+](CCC(C)(C)C)C2)O1 ZINC001053662968 681102862 /nfs/dbraw/zinc/10/28/62/681102862.db2.gz BMLGNYLEAWUTIV-BBWFWOEESA-N 1 0 350.503 2.363 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)N1CCC[C@@](O)(c2ccc(Cl)cc2)C1 ZINC000845220742 681111660 /nfs/dbraw/zinc/11/16/60/681111660.db2.gz NESRFHBGZLSUME-IBGZPJMESA-N 1 0 363.889 2.288 20 30 FEEDRO C=C[C@H](C)ONC(=O)N[C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000845643291 681142570 /nfs/dbraw/zinc/14/25/70/681142570.db2.gz YDNUINLCMCGZEC-KBPBESRZSA-N 1 0 350.438 2.444 20 30 FEEDRO C[C@@H]1[C@H](C(=O)N2CC[C@H](N(C)c3snc(Cl)c3C#N)C2)CC[N@@H+]1C ZINC001057053233 681158535 /nfs/dbraw/zinc/15/85/35/681158535.db2.gz ZDQBOBSVMUESHY-GRYCIOLGSA-N 1 0 367.906 2.045 20 30 FEEDRO C#CC[N@H+](C)CCCNS(=O)(=O)Cc1cc(Cl)sc1Cl ZINC000845940922 681163771 /nfs/dbraw/zinc/16/37/71/681163771.db2.gz ZOKIHRYKTUZULW-UHFFFAOYSA-N 1 0 355.312 2.429 20 30 FEEDRO C=C(Cl)C(C)(C)C(=O)NCC[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001059732111 681183703 /nfs/dbraw/zinc/18/37/03/681183703.db2.gz JYAGNCNRLJQWFN-FVQBIDKESA-N 1 0 369.937 2.460 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H]2C[N@H+](C[C@@H](C)OC)C[C@H]2CC1 ZINC000946818049 681261684 /nfs/dbraw/zinc/26/16/84/681261684.db2.gz BXLQGTOFKQNGTD-GFEQUFNTSA-N 1 0 350.503 2.173 20 30 FEEDRO C=C(C)[C@@H](CO)[NH+]1CCC2(CO[C@H](CNC(=O)OC(C)(C)C)C2)CC1 ZINC000932681064 681285746 /nfs/dbraw/zinc/28/57/46/681285746.db2.gz WQNKRORNDRZJLQ-JKSUJKDBSA-N 1 0 354.491 2.319 20 30 FEEDRO C#CC[C@H]([NH2+]CC(=O)Nc1cccc(S(C)(=O)=O)c1)c1ccccc1 ZINC000775397958 681304325 /nfs/dbraw/zinc/30/43/25/681304325.db2.gz CEDOZNPMUDMFQP-SFHVURJKSA-N 1 0 356.447 2.383 20 30 FEEDRO CNC(=O)CC[NH+]1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932943214 681332056 /nfs/dbraw/zinc/33/20/56/681332056.db2.gz JGXDOTBNIXEDCZ-RNFRBKRXSA-N 1 0 354.241 2.225 20 30 FEEDRO C#CCC1([NH2+]CC(=O)N(CCCC)[C@@H]2CCS(=O)(=O)C2)CCCCC1 ZINC000933267829 681382261 /nfs/dbraw/zinc/38/22/61/681382261.db2.gz OSGXXDMWWJLHQK-QGZVFWFLSA-N 1 0 368.543 2.118 20 30 FEEDRO COC(=O)[C@H](c1ccc(C#N)cc1)N1C[C@@H]([NH+]2CCCC2)[C@@H](SC)C1 ZINC000776479467 681395081 /nfs/dbraw/zinc/39/50/81/681395081.db2.gz XTDQPIHDLJGUTN-SQNIBIBYSA-N 1 0 359.495 2.284 20 30 FEEDRO C[C@@H]1[C@H](C)N(C(=O)OC(C)(C)C)CC[N@H+]1CCC(=O)N(C)CCC#N ZINC000776607970 681415331 /nfs/dbraw/zinc/41/53/31/681415331.db2.gz YFOANOQIDOVPDJ-CABCVRRESA-N 1 0 352.479 2.078 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H]1CCC[N@H+](CC2CCOCC2)CC1 ZINC000948789294 681598740 /nfs/dbraw/zinc/59/87/40/681598740.db2.gz KYNKHXAABPQKFQ-QRVBRYPASA-N 1 0 350.503 2.317 20 30 FEEDRO C[NH+]=C(NCCCCc1ccc(Cl)s1)NCCN1CCOCC1 ZINC000849002885 681647332 /nfs/dbraw/zinc/64/73/32/681647332.db2.gz KYNSXLGJLCWGEO-UHFFFAOYSA-N 1 0 358.939 2.221 20 30 FEEDRO C[NH+]=C(NCCc1cn2cc(Br)cc(C)c2n1)NC1CC1 ZINC000849081959 681651083 /nfs/dbraw/zinc/65/10/83/681651083.db2.gz RWJYTIKBVGUTOE-UHFFFAOYSA-N 1 0 350.264 2.275 20 30 FEEDRO C[NH+]=C(NCCN1CCOCC1)N[C@H]1C[C@H](c2cccc(Cl)c2)C1 ZINC000849106144 681654392 /nfs/dbraw/zinc/65/43/92/681654392.db2.gz XBVLBIWPBCINOB-JCNLHEQBSA-N 1 0 350.894 2.083 20 30 FEEDRO C[NH+]=C(NCc1ccco1)NC[C@H](O)c1ccccc1Br ZINC000849110479 681655110 /nfs/dbraw/zinc/65/51/10/681655110.db2.gz ZTKBHXZKKVPMGJ-AWEZNQCLSA-N 1 0 352.232 2.441 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N2CCC3(CC2)OCCc2ccsc23)CC1 ZINC000778987007 681670683 /nfs/dbraw/zinc/67/06/83/681670683.db2.gz PCRJLGQGFCKUIM-UHFFFAOYSA-N 1 0 358.507 2.484 20 30 FEEDRO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CC[C@@H](C(=O)NCC(F)(F)F)C2)cc1 ZINC000779196358 681687923 /nfs/dbraw/zinc/68/79/23/681687923.db2.gz SXUPHLUFLQAXSJ-GXTWGEPZSA-N 1 0 355.360 2.478 20 30 FEEDRO C[NH+](C)CC#CCNC(=O)c1cccc(-c2noc(C(F)(F)F)n2)c1 ZINC000913521519 685479256 /nfs/dbraw/zinc/47/92/56/685479256.db2.gz CFJLIYXGSOIBQD-UHFFFAOYSA-N 1 0 352.316 2.050 20 30 FEEDRO C[NH+](C)CC#CCNC(=O)CC[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000913524643 685479323 /nfs/dbraw/zinc/47/93/23/685479323.db2.gz WDOZNZHEDXQMHQ-MRXNPFEDSA-N 1 0 351.491 2.095 20 30 FEEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)S(=O)(=O)CC1(F)CCC1 ZINC000913991658 685491390 /nfs/dbraw/zinc/49/13/90/685491390.db2.gz ASMTUJGVJXSZDM-UHFFFAOYSA-N 1 0 353.463 2.144 20 30 FEEDRO C[N@H+](CC1CC1)C[C@@H]1CCN(S(=O)(=O)Cc2csc(C#N)c2)C1 ZINC000914213077 685499163 /nfs/dbraw/zinc/49/91/63/685499163.db2.gz SMDHSUUOZDRXAR-AWEZNQCLSA-N 1 0 353.513 2.113 20 30 FEEDRO C[C@@H]([NH2+]C[C@@H](O)c1ccc(C#N)cc1)c1cccc(NS(C)(=O)=O)c1 ZINC000781910882 681987860 /nfs/dbraw/zinc/98/78/60/681987860.db2.gz OXJYFDGQNQOFFE-FZKQIMNGSA-N 1 0 359.451 2.314 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CC(C[NH2+]Cc2cc(OC)ns2)C1 ZINC000962413709 682117587 /nfs/dbraw/zinc/11/75/87/682117587.db2.gz BLFTURGEDVGMIE-ITMHDFIRSA-N 1 0 365.499 2.117 20 30 FEEDRO C#CC[N@H+](C[C@@H]1CNC(=O)C1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000851771344 682129237 /nfs/dbraw/zinc/12/92/37/682129237.db2.gz BVXHERIATLWLEV-SWLSCSKDSA-N 1 0 363.255 2.344 20 30 FEEDRO CCC1N=NC(=S)N1N=Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000915943711 685519826 /nfs/dbraw/zinc/51/98/26/685519826.db2.gz JJEVVBYLSFCQDD-UHFFFAOYSA-N 1 0 364.906 2.417 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H]2CCC3(CCOCC3)O2)CC1 ZINC000917098012 685529660 /nfs/dbraw/zinc/52/96/60/685529660.db2.gz QDHPVCLOHOTNBH-KRWDZBQOSA-N 1 0 351.491 2.054 20 30 FEEDRO C#CCOCCNC(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000784399830 682222865 /nfs/dbraw/zinc/22/28/65/682222865.db2.gz DRWUIJBGFUCULR-YOEHRIQHSA-N 1 0 367.852 2.421 20 30 FEEDRO CCOP(=O)(OCC)[C@H](O)C[N@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000852210695 682239725 /nfs/dbraw/zinc/23/97/25/682239725.db2.gz JVTWVGUAWTXSMH-HOTGVXAUSA-N 1 0 356.359 2.108 20 30 FEEDRO C=C(C)CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC000968964921 682252177 /nfs/dbraw/zinc/25/21/77/682252177.db2.gz BCHFOWMUKUMJBQ-ZSYWTGECSA-N 1 0 350.503 2.365 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c(C(F)(F)F)c1 ZINC000917654585 685533506 /nfs/dbraw/zinc/53/35/06/685533506.db2.gz HNSPHENXPDYPET-OLZOCXBDSA-N 1 0 373.400 2.482 20 30 FEEDRO C[N@H+]1C[C@]2(C)CN(S(=O)(=O)c3cccc(Cl)c3C#N)C[C@]2(C)C1 ZINC000918351452 685538581 /nfs/dbraw/zinc/53/85/81/685538581.db2.gz JZANCXVXTVHVHQ-IYBDPMFKSA-N 1 0 353.875 2.174 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]([NH2+]C[C@@H](O)c2ccccc2Cl)C1 ZINC000970016612 682284193 /nfs/dbraw/zinc/28/41/93/682284193.db2.gz FJOPJGAXYHIRSL-UWIFEVILSA-N 1 0 364.873 2.155 20 30 FEEDRO C[C@@H](C#N)OCC[NH+]1CCC([C@H]2CCCN(C(=O)C(F)(F)F)C2)CC1 ZINC000852599829 682306655 /nfs/dbraw/zinc/30/66/55/682306655.db2.gz BHKYMXGCSXMVCX-ZFWWWQNUSA-N 1 0 361.408 2.428 20 30 FEEDRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)c1ccccc1SCC#N ZINC000918699479 685541123 /nfs/dbraw/zinc/54/11/23/685541123.db2.gz JGDTWPLGGPEGPY-UHFFFAOYSA-N 1 0 360.527 2.400 20 30 FEEDRO C=CCN1C(=S)N=NC1c1sc(NC(=O)CC2([NH3+])CC2)nc1C ZINC000852809181 682345580 /nfs/dbraw/zinc/34/55/80/682345580.db2.gz VJKBJFDSCADYMW-UHFFFAOYSA-N 1 0 350.473 2.005 20 30 FEEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852827491 682347759 /nfs/dbraw/zinc/34/77/59/682347759.db2.gz JQWOWDDVHRBWHS-GFCCVEGCSA-N 1 0 370.222 2.206 20 30 FEEDRO O=C(C#CC1CC[NH2+]CC1)N[C@H]1COc2cc(F)c(Br)cc21 ZINC000852890364 682353746 /nfs/dbraw/zinc/35/37/46/682353746.db2.gz JDKRHSPGOJQYAA-AWEZNQCLSA-N 1 0 367.218 2.141 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C)CC1 ZINC000786181612 682357565 /nfs/dbraw/zinc/35/75/65/682357565.db2.gz IBEIHIUIJAHPRD-ZBFHGGJFSA-N 1 0 351.491 2.399 20 30 FEEDRO C=CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCCO[C@H]3C(C)C)C2)C1 ZINC000972389215 682412879 /nfs/dbraw/zinc/41/28/79/682412879.db2.gz IRQUDUCNAYHRIM-BJLQDIEVSA-N 1 0 350.503 2.317 20 30 FEEDRO C#CCOc1ccc(Br)cc1C[NH2+]CCC1(O)CCOCC1 ZINC000796465856 683163607 /nfs/dbraw/zinc/16/36/07/683163607.db2.gz LWBDTPHJJFXGKV-UHFFFAOYSA-N 1 0 368.271 2.482 20 30 FEEDRO C#CC[N@H+]1CCC[C@H]1COC(=O)CCC1CN(C(=O)OC(C)(C)C)C1 ZINC000860529615 683256316 /nfs/dbraw/zinc/25/63/16/683256316.db2.gz JPGGDCHHLDGATL-INIZCTEOSA-N 1 0 350.459 2.274 20 30 FEEDRO C=CCN1CC[C@H]([NH+]2CCC([C@H](C)NC(=O)OC(C)(C)C)CC2)C1=O ZINC000799121613 683424273 /nfs/dbraw/zinc/42/42/73/683424273.db2.gz HXMNNSXDCBTFMH-HOCLYGCPSA-N 1 0 351.491 2.399 20 30 FEEDRO C=CCCC[C@@H](NC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1)C(=O)OC ZINC000928318830 683434013 /nfs/dbraw/zinc/43/40/13/683434013.db2.gz FMGPCQWOKBVXNU-HZPDHXFCSA-N 1 0 354.516 2.218 20 30 FEEDRO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H](CCNC(=O)OC(C)(C)C)C2)C1=O ZINC000799358877 683448193 /nfs/dbraw/zinc/44/81/93/683448193.db2.gz OGAFAKJKMJXFBT-JKSUJKDBSA-N 1 0 351.491 2.400 20 30 FEEDRO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H](CCNC(=O)OC(C)(C)C)C2)C1=O ZINC000799358876 683448401 /nfs/dbraw/zinc/44/84/01/683448401.db2.gz OGAFAKJKMJXFBT-HZPDHXFCSA-N 1 0 351.491 2.400 20 30 FEEDRO Cc1cccc(C#N)c1S(=O)(=O)N[C@H](CC[NH+](C)C)c1cccnc1 ZINC000921478421 683480882 /nfs/dbraw/zinc/48/08/82/683480882.db2.gz JMOWHCYNIBQZNM-QGZVFWFLSA-N 1 0 358.467 2.233 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)Cc2ccc(F)cc2Br)CC1 ZINC000928652595 683481536 /nfs/dbraw/zinc/48/15/36/683481536.db2.gz FDJSNIZROSRNJK-UHFFFAOYSA-N 1 0 353.235 2.345 20 30 FEEDRO C[NH+](C)CC[C@H](NS(=O)(=O)c1ccc(F)cc1C#N)c1cccnc1 ZINC000921481146 683481653 /nfs/dbraw/zinc/48/16/53/683481653.db2.gz BQHXGUSMLZGMEL-INIZCTEOSA-N 1 0 362.430 2.064 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)CC1 ZINC000928654674 683482233 /nfs/dbraw/zinc/48/22/33/683482233.db2.gz LXICOGDUVJMLPK-OAHLLOKOSA-N 1 0 351.491 2.140 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)COc2ccc(Cl)c3cccnc23)CC1 ZINC000928656440 683482582 /nfs/dbraw/zinc/48/25/82/683482582.db2.gz ABGCFHZXJVIIRV-UHFFFAOYSA-N 1 0 357.841 2.481 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21 ZINC000861837328 683483664 /nfs/dbraw/zinc/48/36/64/683483664.db2.gz AKZQHCAQDCEXAN-HYVNUMGLSA-N 1 0 361.283 2.406 20 30 FEEDRO C#CC[C@H](CO)NC(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000921701728 683549071 /nfs/dbraw/zinc/54/90/71/683549071.db2.gz BNPWCLWIWIDMNX-JJRVBVJISA-N 1 0 367.852 2.155 20 30 FEEDRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)Nc3ccc(C#N)c(Cl)c3)CC2)C1 ZINC000929256677 683569334 /nfs/dbraw/zinc/56/93/34/683569334.db2.gz HDBMLOBCSODKLR-INIZCTEOSA-N 1 0 361.877 2.455 20 30 FEEDRO CC#CCS(=O)(=O)c1cccc(C(=O)NC2CC[NH+](CCC)CC2)c1 ZINC000929407590 683590555 /nfs/dbraw/zinc/59/05/55/683590555.db2.gz JBXAWLXAOZLAMR-UHFFFAOYSA-N 1 0 362.495 2.088 20 30 FEEDRO CN(C)C(=O)[C@@H]1CC[C@@H](C[NH2+]Cc2cc(C#N)ccc2Br)O1 ZINC000921966121 683627582 /nfs/dbraw/zinc/62/75/82/683627582.db2.gz CJQDZZIGDVDFBA-ZFWWWQNUSA-N 1 0 366.259 2.046 20 30 FEEDRO C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cc(Cl)cc(COC)c1 ZINC000922021714 683638403 /nfs/dbraw/zinc/63/84/03/683638403.db2.gz DGKPBPQAFHEHBR-UHFFFAOYSA-N 1 0 370.902 2.205 20 30 FEEDRO COCC(COC)N[NH+]=Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000863196449 683683876 /nfs/dbraw/zinc/68/38/76/683683876.db2.gz JUJKZABPMSGZAW-UHFFFAOYSA-N 1 0 350.419 2.170 20 30 FEEDRO N#CC1(C[C@H](O)C[NH2+]C[C@@H](O)c2c(F)cccc2Cl)CCOCC1 ZINC000863560841 683741912 /nfs/dbraw/zinc/74/19/12/683741912.db2.gz AUIPGFLVISFYDM-SWLSCSKDSA-N 1 0 356.825 2.173 20 30 FEEDRO N#Cc1ccccc1OC[C@H](O)C[NH2+]C[C@H](O)c1c(F)cccc1Cl ZINC000863564049 683742669 /nfs/dbraw/zinc/74/26/69/683742669.db2.gz SPMPABODWSRYLC-CJNGLKHVSA-N 1 0 364.804 2.414 20 30 FEEDRO C#CC1(O)CC[NH+](CCC(=O)Nc2cc(OC)c(Cl)cc2OC)CC1 ZINC000931148223 683841935 /nfs/dbraw/zinc/84/19/35/683841935.db2.gz SQRIBNGWTPOFRL-UHFFFAOYSA-N 1 0 366.845 2.146 20 30 FEEDRO C=C(Cl)C[C@@H]1NC(=O)N(c2ccc(OCC[NH+](C)C)c(OC)c2)C1=O ZINC000864564279 683868159 /nfs/dbraw/zinc/86/81/59/683868159.db2.gz PVMBHJKFWZWAOR-ZDUSSCGKSA-N 1 0 367.833 2.203 20 30 FEEDRO C=C(Cl)C[C@@H]1NC(=O)N([C@@H]2CC[N@@H+](CCCOCC)C[C@H]2C)C1=O ZINC000865304426 683964976 /nfs/dbraw/zinc/96/49/76/683964976.db2.gz VBKZHLNBWMMJGK-VHDGCEQUSA-N 1 0 357.882 2.186 20 30 FEEDRO Cc1cc(C#N)ccc1S(=O)(=O)N[C@H]1C[C@@](C[NH3+])(c2ccccc2)C1 ZINC000923740774 684343952 /nfs/dbraw/zinc/34/39/52/684343952.db2.gz KYMHSLLYHZMQMD-IZAXUBKRSA-N 1 0 355.463 2.204 20 30 FEEDRO CC[C@@H](CN1CCOCC1)NC(=O)NCc1ccc(SC)c(C#N)c1 ZINC000924043376 684394251 /nfs/dbraw/zinc/39/42/51/684394251.db2.gz YVXVVSUTWFRPBE-INIZCTEOSA-N 1 0 362.499 2.190 20 30 FEEDRO COC[C@@H](NC(=O)[C@H]([NH3+])CCCC#N)c1cccc(Br)c1 ZINC000868024098 684440456 /nfs/dbraw/zinc/44/04/56/684440456.db2.gz HBKMNVCYPMVSKQ-ZIAGYGMSSA-N 1 0 354.248 2.274 20 30 FEEDRO COC[C@H](NC(=O)[C@H]([NH3+])CCCC#N)c1cccc(Br)c1 ZINC000868024096 684440662 /nfs/dbraw/zinc/44/06/62/684440662.db2.gz HBKMNVCYPMVSKQ-KGLIPLIRSA-N 1 0 354.248 2.274 20 30 FEEDRO C=C(C[NH+](C)C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]([C@H]1C)N2C(=O)OC(C)(C)C ZINC000870499024 684725909 /nfs/dbraw/zinc/72/59/09/684725909.db2.gz REUUJVHHXPXVLY-JJXSEGSLSA-N 1 0 351.491 2.397 20 30 FEEDRO C[C@@]12CN(S(=O)(=O)CCCCC#N)C[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000872598075 684985328 /nfs/dbraw/zinc/98/53/28/684985328.db2.gz XTQVNEKINKBMTH-RBUKOAKNSA-N 1 0 361.511 2.464 20 30 FEEDRO C=CCn1c(C)nn(CN(CCOC)CC2CC[NH+](C)CC2)c1=S ZINC000872631698 684992762 /nfs/dbraw/zinc/99/27/62/684992762.db2.gz CFSSZTFHAGPECI-UHFFFAOYSA-N 1 0 353.536 2.156 20 30 FEEDRO C#CCCCNC(=O)C(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000875239461 685762121 /nfs/dbraw/zinc/76/21/21/685762121.db2.gz DSCVZPHBEOCHNA-OAHLLOKOSA-N 1 0 370.280 2.242 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000876620638 686229629 /nfs/dbraw/zinc/22/96/29/686229629.db2.gz NYWJYPTUFLRXDT-YPMHNXCESA-N 1 0 366.767 2.031 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)Nc1ccc(N2CCOCC2)c2ccncc12 ZINC000876714633 686251319 /nfs/dbraw/zinc/25/13/19/686251319.db2.gz AUURZCUABBBQHD-HNNXBMFYSA-N 1 0 360.845 2.480 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC(Cc2nc([C@H]3C[C@H]3C)no2)CC1 ZINC000876945830 686299103 /nfs/dbraw/zinc/29/91/03/686299103.db2.gz JXWBYJMNXQXSGT-SWHYSGLUSA-N 1 0 352.866 2.444 20 30 FEEDRO C=CCS(=O)(=O)CC[NH2+][C@H]1C[C@@H](NC(=O)OC(C)(C)C)C12CCC2 ZINC000877194329 686338630 /nfs/dbraw/zinc/33/86/30/686338630.db2.gz IGGFKHVZEUIGAP-UONOGXRCSA-N 1 0 358.504 2.013 20 30 FEEDRO CC(C)(C)OC(=O)N1CCOC[C@@H]1C[NH2+]Cc1cc(C#N)cnc1Cl ZINC000877655689 686431413 /nfs/dbraw/zinc/43/14/13/686431413.db2.gz HSMHHJAKUFPQDG-AWEZNQCLSA-N 1 0 366.849 2.332 20 30 FEEDRO CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+]C2CCN(c3ccccc3C#N)CC2)C1 ZINC000877682818 686436744 /nfs/dbraw/zinc/43/67/44/686436744.db2.gz UIZAUIZQFDICLL-QZTJIDSGSA-N 1 0 361.511 2.472 20 30 FEEDRO CN1CC[NH+](C2CCN(C(=O)Nc3ccc(C#N)c(Cl)c3)CC2)CC1 ZINC000877981528 686494044 /nfs/dbraw/zinc/49/40/44/686494044.db2.gz XMJWBMAJIACBOQ-UHFFFAOYSA-N 1 0 361.877 2.455 20 30 FEEDRO C[N@H+](CCC(=O)Nc1sccc1C(N)=O)CCc1cccc(C#N)c1 ZINC000879433850 686820471 /nfs/dbraw/zinc/82/04/71/686820471.db2.gz HSQAZVWETHGHIJ-UHFFFAOYSA-N 1 0 356.451 2.222 20 30 FEEDRO C[C@@H]1C[N@H+](C[C@@H](O)COc2ccccc2C#N)CC[C@@H](C(F)(F)F)O1 ZINC000880065905 686992542 /nfs/dbraw/zinc/99/25/42/686992542.db2.gz YJHZZXQYOCTCAH-XPKDYRNWSA-N 1 0 358.360 2.340 20 30 FEEDRO C[NH+]1CCC2(CC1)CN(C(=O)Nc1cc(C#N)c(F)cc1F)CCO2 ZINC000880709916 687077176 /nfs/dbraw/zinc/07/71/76/687077176.db2.gz DSEHBCFGKQXWOW-UHFFFAOYSA-N 1 0 350.369 2.165 20 30 FEEDRO C[C@H]1C[NH+](CCCNC(=O)Nc2cc(C#N)c(F)cc2F)C[C@H](C)O1 ZINC000880716711 687077778 /nfs/dbraw/zinc/07/77/78/687077778.db2.gz RLYJKRVEFXWSOW-RYUDHWBXSA-N 1 0 352.385 2.457 20 30 FEEDRO COc1cc[nH+]c(N2CCN(c3ncc(C#N)cc3Br)CC2)c1 ZINC000881923038 687261468 /nfs/dbraw/zinc/26/14/68/687261468.db2.gz ZFIWLLCNKBCWGO-UHFFFAOYSA-N 1 0 374.242 2.446 20 30 FEEDRO Cc1cccc(C#N)c1S(=O)(=O)N1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000882619529 687411328 /nfs/dbraw/zinc/41/13/28/687411328.db2.gz NXGXDPZGKHOPDN-OAHLLOKOSA-N 1 0 356.451 2.161 20 30 FEEDRO C#CC[C@@H](CO)[NH2+]Cc1cc(Br)cc(Br)c1N ZINC000883125260 687572721 /nfs/dbraw/zinc/57/27/21/687572721.db2.gz DGZPVFYWYIIMFY-JTQLQIEISA-N 1 0 362.065 2.268 20 30 FEEDRO C=CCC[C@@H]([NH2+]C1CCN(S(C)(=O)=O)CC1)[C@H]1Cc2ccccc2O1 ZINC000883169855 687581443 /nfs/dbraw/zinc/58/14/43/687581443.db2.gz FUEQKOBRUQFATQ-IEBWSBKVSA-N 1 0 364.511 2.339 20 30 FEEDRO C[C@H]([NH2+]CC1(S(=O)(=O)NC(C)(C)C)CC1)c1ccc(OCC#N)cc1 ZINC000883299884 687602695 /nfs/dbraw/zinc/60/26/95/687602695.db2.gz IDMBOFWHGRUWCJ-AWEZNQCLSA-N 1 0 365.499 2.490 20 30 FEEDRO C=CCN1C(=S)N=NC1c1sc(NC(=O)[C@@H]([NH3+])CC2CC2)nc1C ZINC000884067184 687782256 /nfs/dbraw/zinc/78/22/56/687782256.db2.gz XLGBDQGSMRRBLM-JTQLQIEISA-N 1 0 364.500 2.251 20 30 FEEDRO N#C[C@H]1C[NH2+]CC12CC(C(=O)NCCc1ccc(Br)cc1)C2 ZINC000884070930 687783127 /nfs/dbraw/zinc/78/31/27/687783127.db2.gz CLFQKAPRFMBZCW-UUCFBXCCSA-N 1 0 362.271 2.247 20 30 FEEDRO CN(C)[C@H](CNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)c1ccccc1Cl ZINC000884179170 687809864 /nfs/dbraw/zinc/80/98/64/687809864.db2.gz HCLJFTZKYMRQNU-VSOMRHIXSA-N 1 0 360.889 2.198 20 30 FEEDRO C#CCN(C(=O)c1cnc(C(F)(F)F)c(C#N)c1)C1CC[NH+](C)CC1 ZINC000886575919 688278849 /nfs/dbraw/zinc/27/88/49/688278849.db2.gz OYRBTRZBRNDCIL-UHFFFAOYSA-N 1 0 350.344 2.142 20 30 FEEDRO C#CCN(C(=O)C[C@@H](c1nccn1C)C(F)(F)F)C1CC[NH+](C)CC1 ZINC000886576135 688278970 /nfs/dbraw/zinc/27/89/70/688278970.db2.gz YBOBEZGDWLVCLK-AWEZNQCLSA-N 1 0 356.392 2.012 20 30 FEEDRO C#CCN(C(=O)c1nc(F)ccc1Br)C1CC[NH+](C)CC1 ZINC000886575836 688279031 /nfs/dbraw/zinc/27/90/31/688279031.db2.gz MKDXYNUEEBGYTJ-UHFFFAOYSA-N 1 0 354.223 2.153 20 30 FEEDRO C=CCC1(O)CC[NH+](CC(=O)N(C)CCOc2ccccc2F)CC1 ZINC000886766876 688304511 /nfs/dbraw/zinc/30/45/11/688304511.db2.gz UAMUGIKBHXZOGN-UHFFFAOYSA-N 1 0 350.434 2.066 20 30 FEEDRO COC[C@@H]([NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1)[C@@H]1CCCOC1 ZINC000886910124 688339344 /nfs/dbraw/zinc/33/93/44/688339344.db2.gz LRJAKDUCEUENFQ-CZUORRHYSA-N 1 0 351.834 2.181 20 30 FEEDRO CN(C)CC[N@H+](C)CCCN(C)C(=O)Nc1nc(Cl)c(C#N)s1 ZINC000888422521 688609866 /nfs/dbraw/zinc/60/98/66/688609866.db2.gz NQBHWYWZTBDFFC-UHFFFAOYSA-N 1 0 358.899 2.015 20 30 FEEDRO C[C@@]1(C#N)CN(C(=O)NCC2CC[NH+](Cc3cccs3)CC2)CCO1 ZINC000892498046 689204130 /nfs/dbraw/zinc/20/41/30/689204130.db2.gz ALLMXTLMUDMGIS-GOSISDBHSA-N 1 0 362.499 2.284 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2ncc(Br)cn2)CC1 ZINC000892851224 689253653 /nfs/dbraw/zinc/25/36/53/689253653.db2.gz FGDFXSLKOFMAOG-UHFFFAOYSA-N 1 0 368.279 2.079 20 30 FEEDRO C[NH+](C)CC[C@H](NC(=O)N1CCC2(CC1)CC(=O)C=CO2)C(C)(C)C ZINC000893065369 689291160 /nfs/dbraw/zinc/29/11/60/689291160.db2.gz LOYVUQIAQLLVBF-INIZCTEOSA-N 1 0 351.491 2.400 20 30 FEEDRO C[NH+](C)[C@H](CNC(=O)N1CCO[C@](C)(C#N)C1)c1ccc(Cl)cc1 ZINC000893382170 689339642 /nfs/dbraw/zinc/33/96/42/689339642.db2.gz NVTUDNJSTCANAM-NVXWUHKLSA-N 1 0 350.850 2.267 20 30 FEEDRO C[C@]1(Br)C[C@H]1C[NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000894005540 689447619 /nfs/dbraw/zinc/44/76/19/689447619.db2.gz KSUOIQOIIVRERK-UXLLHSPISA-N 1 0 362.271 2.422 20 30 FEEDRO N#Cc1ncc(Br)cc1NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000896524402 689885087 /nfs/dbraw/zinc/88/50/87/689885087.db2.gz USRLPRWCBGJAOD-ZDUSSCGKSA-N 1 0 351.248 2.381 20 30 FEEDRO C#CCOc1ccc(C[NH2+][C@@H]2CCN(c3cn[nH]c(=O)c3Cl)C2)cc1 ZINC000898364826 690166643 /nfs/dbraw/zinc/16/66/43/690166643.db2.gz QHGJJBRWYSUYDL-CQSZACIVSA-N 1 0 358.829 2.216 20 30 FEEDRO C[NH+](C)CC(C)(C)CNC(=S)N1CCO[C@H](c2ccc(C#N)cc2)C1 ZINC000899636027 690394594 /nfs/dbraw/zinc/39/45/94/690394594.db2.gz VQTSTRAYKBROHM-KRWDZBQOSA-N 1 0 360.527 2.394 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)N(C)CC(=O)Nc1ccccc1Br ZINC000899956881 690450262 /nfs/dbraw/zinc/45/02/62/690450262.db2.gz KWJHKKKENLWCJD-UHFFFAOYSA-N 1 0 368.275 2.354 20 30 FEEDRO C=C(Cl)C[C@H]1NC(=O)N(c2cc(C)nn2C2CC[NH+](C)CC2)C1=O ZINC000900237440 690488802 /nfs/dbraw/zinc/48/88/02/690488802.db2.gz JBAZKNRKUPMWPT-CYBMUJFWSA-N 1 0 351.838 2.026 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@]2(C(=O)OC(C)(C)C)CCCO2)CC1 ZINC000900599092 690536943 /nfs/dbraw/zinc/53/69/43/690536943.db2.gz NRTCEBSEWVDPGX-IBGZPJMESA-N 1 0 352.475 2.034 20 30 FEEDRO C[N@@H+]1CCC[C@@](O)(CC(=O)N[C@H](C#N)c2cccc(C(F)(F)F)c2)C1 ZINC000900645414 690542712 /nfs/dbraw/zinc/54/27/12/690542712.db2.gz YEUXKFOUYGSDDW-GDBMZVCRSA-N 1 0 355.360 2.233 20 30 FEEDRO C[N@@H+]1CCC[C@@](O)(CC(=O)N[C@@H](C#N)c2cccc(C(F)(F)F)c2)C1 ZINC000900645415 690542846 /nfs/dbraw/zinc/54/28/46/690542846.db2.gz YEUXKFOUYGSDDW-GOEBONIOSA-N 1 0 355.360 2.233 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)N1CCC[C@H](C(=O)N(CC)CC(F)(F)F)C1 ZINC000900857612 690575479 /nfs/dbraw/zinc/57/54/79/690575479.db2.gz DAWNLKTYZHOWSD-AWEZNQCLSA-N 1 0 363.424 2.144 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1CN(C)CCO1 ZINC000901271347 690631651 /nfs/dbraw/zinc/63/16/51/690631651.db2.gz TXVZGOHXUUGKEM-QZTJIDSGSA-N 1 0 365.905 2.336 20 30 FEEDRO CCCN([C@H]1CC[NH2+]C1)S(=O)(=O)c1ccc(Br)c(C#N)c1 ZINC000903486181 690898861 /nfs/dbraw/zinc/89/88/61/690898861.db2.gz OMEZPILLBXHKQM-LBPRGKRZSA-N 1 0 372.288 2.083 20 30 FEEDRO Cc1cc(C#N)cc(C)c1CS(=O)(=O)N1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000903522344 690910281 /nfs/dbraw/zinc/91/02/81/690910281.db2.gz MRJGZODHIBDULV-INIZCTEOSA-N 1 0 361.511 2.469 20 30 FEEDRO N#Cc1cc(F)cc(S(=O)(=O)N2CCCC[C@@H]2C2(C[NH3+])CCC2)c1 ZINC000903545986 690919430 /nfs/dbraw/zinc/91/94/30/690919430.db2.gz DRIRESUOXYBYPU-MRXNPFEDSA-N 1 0 351.447 2.370 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@H]([NH3+])C2)cc1Cl ZINC000903578001 690927499 /nfs/dbraw/zinc/92/74/99/690927499.db2.gz AMQDPRRDSOTOHD-ZYHUDNBSSA-N 1 0 367.780 2.112 20 30 FEEDRO CN(C(=O)Nc1ccc(C#N)c(Br)c1)C1(C[NH3+])CCOCC1 ZINC000904474453 691030354 /nfs/dbraw/zinc/03/03/54/691030354.db2.gz GAHFSBOTHCXFQF-UHFFFAOYSA-N 1 0 367.247 2.292 20 30 FEEDRO N#CCCC[NH2+]C[C@@H](O)c1ccc2c(c1)CN(C(=O)C(F)(F)F)CC2 ZINC000905202138 691079616 /nfs/dbraw/zinc/07/96/16/691079616.db2.gz FWGFTKJNKYXDFR-OAHLLOKOSA-N 1 0 355.360 2.060 20 30 FEEDRO C[C@@H]1Cc2cc(C[NH2+]CCS(=O)(=O)c3cccc(C#N)c3)ccc2O1 ZINC000905565920 691142144 /nfs/dbraw/zinc/14/21/44/691142144.db2.gz SSZFAISCVSONQY-CQSZACIVSA-N 1 0 356.447 2.445 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+]CCc2nc3c(s2)CCC3)cc1 ZINC000905569355 691143615 /nfs/dbraw/zinc/14/36/15/691143615.db2.gz RLKFHNJGDSSHOI-UHFFFAOYSA-N 1 0 361.492 2.109 20 30 FEEDRO C[C@H]([NH2+]C(C)(C)CNS(=O)(=O)c1ccc(C#N)cn1)c1ccccc1 ZINC000906911579 691342196 /nfs/dbraw/zinc/34/21/96/691342196.db2.gz JIPQJFUZLLKIAL-AWEZNQCLSA-N 1 0 358.467 2.361 20 30 FEEDRO C[NH+](C)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)c(C#N)c2)C1 ZINC000906932339 691347453 /nfs/dbraw/zinc/34/74/53/691347453.db2.gz XCAYZWCMFUABKW-LBPRGKRZSA-N 1 0 372.288 2.035 20 30 FEEDRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)cnc1C#N)C2 ZINC001164815342 720087005 /nfs/dbraw/zinc/08/70/05/720087005.db2.gz YIHUUWGYOOYXIF-KDOFPFPSSA-N 1 0 361.877 2.186 20 30 FEEDRO COCC[N@@H+]1CCO[C@H]2CN(c3ccc(C4(C#N)CCC4)cn3)CC[C@H]2C1 ZINC001164862195 720854789 /nfs/dbraw/zinc/85/47/89/720854789.db2.gz ZKIMBZPIMYIIHY-HKUYNNGSSA-N 1 0 370.497 2.200 20 30 FEEDRO N#Cc1nc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)ccc1Cl ZINC001164870872 721054276 /nfs/dbraw/zinc/05/42/76/721054276.db2.gz WZIHLMPZWWJYTI-HZPDHXFCSA-N 1 0 369.856 2.481 20 30 FEEDRO N#Cc1c(Cl)ccnc1N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164871911 721064928 /nfs/dbraw/zinc/06/49/28/721064928.db2.gz ZQNFCZYMABWXIL-CVEARBPZSA-N 1 0 369.856 2.481 20 30 FEEDRO Cc1nc(C#N)cnc1N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164912097 721548338 /nfs/dbraw/zinc/54/83/38/721548338.db2.gz YRRJPMHAWFGNQU-FUHWJXTLSA-N 1 0 353.401 2.138 20 30 FEEDRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2nccnc2C#N)CC1 ZINC001165019334 721838159 /nfs/dbraw/zinc/83/81/59/721838159.db2.gz DOBGDYQXZWDBNR-UHFFFAOYSA-N 1 0 367.453 2.466 20 30 FEEDRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2c1nc(-c2ccncc2)ccc1C#N ZINC001164929181 721877065 /nfs/dbraw/zinc/87/70/65/721877065.db2.gz AHWQXKWMMDPICI-VQTJNVASSA-N 1 0 362.481 2.230 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)C(C)(C)c2ccccc2OC)c1C#N ZINC000535510122 867723211 /nfs/dbraw/zinc/72/32/11/867723211.db2.gz GJEQXYJIQJSBCB-UHFFFAOYSA-N 1 0 355.442 2.358 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)CNc1ccc(C#N)cn1 ZINC000497857874 887223563 /nfs/dbraw/zinc/22/35/63/887223563.db2.gz HIAAIEOMLYOZGU-UHFFFAOYSA-N 1 0 373.407 2.234 20 30 FEEDRO Cc1ccccc1C[NH+]1CCN(C[C@H](O)COc2ccc(C#N)cc2)CC1 ZINC000025230350 539751730 /nfs/dbraw/zinc/75/17/30/539751730.db2.gz PIAYGZGCGFEHTM-NRFANRHFSA-N 1 0 365.477 2.424 20 30 FEEDRO N#Cc1ccc(CN2CCC[N@@H+](CCC(=O)N3CCCCC3)CC2)cc1 ZINC000025934078 539772685 /nfs/dbraw/zinc/77/26/85/539772685.db2.gz XXHRBDKMMAZHQH-UHFFFAOYSA-N 1 0 354.498 2.469 20 30 FEEDRO N#Cc1cccc(C(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000029157198 539844638 /nfs/dbraw/zinc/84/46/38/539844638.db2.gz HDNRIUKKBUNSKP-UHFFFAOYSA-N 1 0 362.477 2.496 20 30 FEEDRO COC(=O)c1ccc(OC[C@H](O)C[NH2+][C@H](C)c2ccc(C#N)cc2)cc1 ZINC000030532477 539884466 /nfs/dbraw/zinc/88/44/66/539884466.db2.gz ILWCHXDVNZECDF-RDTXWAMCSA-N 1 0 354.406 2.435 20 30 FEEDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(=O)Nc2cccc(OCC#N)c2)C1 ZINC000041731482 540031212 /nfs/dbraw/zinc/03/12/12/540031212.db2.gz DBOIBHLQGYJYAF-IYBDPMFKSA-N 1 0 372.469 2.012 20 30 FEEDRO C[C@H](NC(=O)C(=O)Nc1cccc(C[NH+](C)C)c1)c1ccc(C#N)cc1 ZINC000042019822 540046070 /nfs/dbraw/zinc/04/60/70/540046070.db2.gz DKFLCCRJHYZLCE-AWEZNQCLSA-N 1 0 350.422 2.436 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)[C@H]1CCCN(C(=O)C2CC2)C1)C(C)C ZINC000042393349 540062570 /nfs/dbraw/zinc/06/25/70/540062570.db2.gz VVZZZWRPHMDHSR-RBUKOAKNSA-N 1 0 361.530 2.450 20 30 FEEDRO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCC(C(=O)Nc2cc(C)on2)CC1 ZINC000042642145 540071887 /nfs/dbraw/zinc/07/18/87/540071887.db2.gz WQYYBBCPCDLMLW-HNNXBMFYSA-N 1 0 360.458 2.223 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1ccc(OCC(N)=O)cc1)C(C)C ZINC000045697801 540222232 /nfs/dbraw/zinc/22/22/32/540222232.db2.gz WMVPHSOPTPIMQT-SFHVURJKSA-N 1 0 374.485 2.371 20 30 FEEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000047214171 540296866 /nfs/dbraw/zinc/29/68/66/540296866.db2.gz IZORJRBOPAHVCC-UHFFFAOYSA-N 1 0 372.513 2.424 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)S(=O)(=O)CCc1ccccc1 ZINC000047497457 540314597 /nfs/dbraw/zinc/31/45/97/540314597.db2.gz GYGWZGRRXHNPCB-UHFFFAOYSA-N 1 0 371.506 2.494 20 30 FEEDRO CCC(CC)[C@@H](CNC(=O)NCc1cccc(C#N)c1)[NH+]1CCOCC1 ZINC000048505923 540365089 /nfs/dbraw/zinc/36/50/89/540365089.db2.gz KDJNOXVJNPPAIC-LJQANCHMSA-N 1 0 358.486 2.494 20 30 FEEDRO C#Cc1cccc(NC(=O)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000048622562 540368106 /nfs/dbraw/zinc/36/81/06/540368106.db2.gz ZERZSDXZCGHZMK-UHFFFAOYSA-N 1 0 361.445 2.387 20 30 FEEDRO CC(C)[NH+](CCNC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1)C(C)C ZINC000048693333 540370255 /nfs/dbraw/zinc/37/02/55/540370255.db2.gz IEWWMSAEZFNSND-UHFFFAOYSA-N 1 0 350.850 2.385 20 30 FEEDRO COc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000050173421 540402378 /nfs/dbraw/zinc/40/23/78/540402378.db2.gz ZLZGOJVCLQWRFN-JLTOFOAXSA-N 1 0 372.469 2.132 20 30 FEEDRO CCCCNC(=O)[C@@H]1CCC[N@H+](CC(=O)N(C)C2(C#N)CCCCC2)C1 ZINC000051062920 540421799 /nfs/dbraw/zinc/42/17/99/540421799.db2.gz CHEOWAZLKYEUIJ-QGZVFWFLSA-N 1 0 362.518 2.300 20 30 FEEDRO N#CC1(NC(=O)C[N@@H+]2CCC[C@@H](C(=O)N3CCCCC3)C2)CCCCC1 ZINC000051557673 540437644 /nfs/dbraw/zinc/43/76/44/540437644.db2.gz YDBZQXMMYPHUAM-QGZVFWFLSA-N 1 0 360.502 2.054 20 30 FEEDRO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000052315130 540462285 /nfs/dbraw/zinc/46/22/85/540462285.db2.gz CCARABVSCGMMRN-SJORKVTESA-N 1 0 356.470 2.345 20 30 FEEDRO CCC[N@@H+]1CC[C@@H](CNC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)C1 ZINC000054510219 540593401 /nfs/dbraw/zinc/59/34/01/540593401.db2.gz BYXNEQRZHPNKDO-FQEVSTJZSA-N 1 0 369.513 2.117 20 30 FEEDRO Cc1noc(C2CC[NH+](C[C@H](O)COc3ccc(CC#N)cc3)CC2)n1 ZINC000054347413 540584217 /nfs/dbraw/zinc/58/42/17/540584217.db2.gz JIETYZDITOTWOX-KRWDZBQOSA-N 1 0 356.426 2.063 20 30 FEEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2cccc(C#N)c2)C1 ZINC000054939485 540618168 /nfs/dbraw/zinc/61/81/68/540618168.db2.gz TVFANHYMMIVDGL-BEFAXECRSA-N 1 0 362.433 2.448 20 30 FEEDRO CCC(=O)N1CCC[C@H](C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)C1 ZINC000055388328 540650190 /nfs/dbraw/zinc/65/01/90/540650190.db2.gz MJASZSWKEXOQFP-IBGZPJMESA-N 1 0 370.497 2.097 20 30 FEEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNS(=O)(=O)N(C)CCC#N)cc1 ZINC000056060056 540698193 /nfs/dbraw/zinc/69/81/93/540698193.db2.gz GAXNFCNXJKTMNE-MRXNPFEDSA-N 1 0 364.515 2.241 20 30 FEEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNS(=O)(=O)N(C)CCC#N ZINC000056064618 540698849 /nfs/dbraw/zinc/69/88/49/540698849.db2.gz YEUYABWIZWHSPR-MRXNPFEDSA-N 1 0 364.515 2.241 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)NCc2cccc(C(=O)N[C@@H](C)CC)c2)CC1 ZINC000057174377 540776099 /nfs/dbraw/zinc/77/60/99/540776099.db2.gz MBYIJVLYPOIEJU-INIZCTEOSA-N 1 0 355.482 2.176 20 30 FEEDRO Cc1ccc(C#N)cc1NC(=O)C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000057666168 540806496 /nfs/dbraw/zinc/80/64/96/540806496.db2.gz CIHAFAOUWYLRQR-GASCZTMLSA-N 1 0 356.470 2.289 20 30 FEEDRO CCCCNC(=O)[C@@H]1CCC[N@@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000065253558 541230491 /nfs/dbraw/zinc/23/04/91/541230491.db2.gz WZFYFGCROVHACA-MJGOQNOKSA-N 1 0 368.481 2.292 20 30 FEEDRO C[C@@H](CNC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1)[NH+]1CCC(C)CC1 ZINC000065601856 541247723 /nfs/dbraw/zinc/24/77/23/541247723.db2.gz LEQMYSOOIRSWDT-ZDUSSCGKSA-N 1 0 362.861 2.387 20 30 FEEDRO C[NH+](C)[C@H](CNC(=O)c1ccc(-n2ncc(C#N)c2N)cc1)c1ccccc1 ZINC000066239667 541293843 /nfs/dbraw/zinc/29/38/43/541293843.db2.gz YGLALBJECONHEA-LJQANCHMSA-N 1 0 374.448 2.359 20 30 FEEDRO C[NH+]1CCN(c2ncccc2CNc2ccc(C#N)cc2[N+](=O)[O-])CC1 ZINC000066372810 541309408 /nfs/dbraw/zinc/30/94/08/541309408.db2.gz ATQGZZLUQPBCQA-UHFFFAOYSA-N 1 0 352.398 2.225 20 30 FEEDRO C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000066561893 541335732 /nfs/dbraw/zinc/33/57/32/541335732.db2.gz VIOKMERERRAKSV-HOTGVXAUSA-N 1 0 356.470 2.070 20 30 FEEDRO N#Cc1cccnc1N1CCC[N@@H+](C[C@H](O)COCc2cccs2)CC1 ZINC000067460061 541467274 /nfs/dbraw/zinc/46/72/74/541467274.db2.gz SNLWKWVAJXUGFB-KRWDZBQOSA-N 1 0 372.494 2.105 20 30 FEEDRO N#Cc1cccnc1N1CCC[N@@H+](C[C@H](O)COc2ccccc2F)CC1 ZINC000067460041 541467318 /nfs/dbraw/zinc/46/73/18/541467318.db2.gz KXMAWXIRIASGLJ-KRWDZBQOSA-N 1 0 370.428 2.044 20 30 FEEDRO C[C@@H](OC[C@H]1CCCCO1)C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000068309998 541575279 /nfs/dbraw/zinc/57/52/79/541575279.db2.gz NBACVUQRIWSKCG-YLJYHZDGSA-N 1 0 373.497 2.423 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1ccc2c(c1)C(=O)NC2=O)C(C)C ZINC000068602102 541613330 /nfs/dbraw/zinc/61/33/30/541613330.db2.gz YPQSJURBWUIOIA-QGZVFWFLSA-N 1 0 370.453 2.390 20 30 FEEDRO Cc1ccc(CN2C[C@H](C(=O)N(CCC#N)CCC[NH+](C)C)CC2=O)cc1 ZINC000069576501 541698320 /nfs/dbraw/zinc/69/83/20/541698320.db2.gz NOKSFEDPDIHITF-LJQANCHMSA-N 1 0 370.497 2.038 20 30 FEEDRO N#Cc1ccc(CSCC(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000069743797 541709308 /nfs/dbraw/zinc/70/93/08/541709308.db2.gz VQLRZAPTWHIABS-LJQANCHMSA-N 1 0 373.522 2.362 20 30 FEEDRO CC(C)[NH+]1CCC(NC(=O)C(=O)Nc2cccc(OCCCC#N)c2)CC1 ZINC000070726068 541739031 /nfs/dbraw/zinc/73/90/31/541739031.db2.gz UWQGAJWYZQKIHG-UHFFFAOYSA-N 1 0 372.469 2.297 20 30 FEEDRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1cccc(OCCCC#N)c1 ZINC000071008672 541757633 /nfs/dbraw/zinc/75/76/33/541757633.db2.gz QPCFWOBAXYWVDQ-MRXNPFEDSA-N 1 0 372.469 2.298 20 30 FEEDRO C[C@H]1CCC[N@H+](CCNC(=O)C(=O)Nc2cccc(OCCCC#N)c2)C1 ZINC000071009738 541758530 /nfs/dbraw/zinc/75/85/30/541758530.db2.gz XCGLWBMHWVFAIC-INIZCTEOSA-N 1 0 372.469 2.156 20 30 FEEDRO O=C(CO/[NH+]=C/c1ccc(N2CCOCC2)cc1)NCc1ccc(F)cc1 ZINC000072809830 541871034 /nfs/dbraw/zinc/87/10/34/541871034.db2.gz TUWXWGTZLIXJME-OEAKJJBVSA-N 1 0 371.412 2.329 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N1CCSCC[C@@H]1C)C(C)C ZINC000551221449 674132374 /nfs/dbraw/zinc/13/23/74/674132374.db2.gz IUJDSAPFHGMYOL-IRXDYDNUSA-N 1 0 367.559 2.155 20 30 FEEDRO C=CCn1c(SCC(=O)NC2CC[NH+](C(C)C)CC2)nnc1C1CC1 ZINC000074374902 542076877 /nfs/dbraw/zinc/07/68/77/542076877.db2.gz BJSVSWWMNKQSQD-UHFFFAOYSA-N 1 0 363.531 2.423 20 30 FEEDRO C#CCOc1cccc(NC(=O)C(=O)NC2CC[NH+](CCCC)CC2)c1 ZINC000076334121 542262346 /nfs/dbraw/zinc/26/23/46/542262346.db2.gz NMCYJKSMBMVGEF-UHFFFAOYSA-N 1 0 357.454 2.018 20 30 FEEDRO C=CCCC[C@@H](C)NC(=O)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000551388399 674142314 /nfs/dbraw/zinc/14/23/14/674142314.db2.gz AUYQTVRFGILRTC-MRXNPFEDSA-N 1 0 367.559 2.325 20 30 FEEDRO C=C(C)COc1cccc(NC(=O)C(=O)N2CC[C@@H](C[N@@H+](C)CC)C2)c1 ZINC000076673597 542311099 /nfs/dbraw/zinc/31/10/99/542311099.db2.gz VYXWTVUSBJNVQT-INIZCTEOSA-N 1 0 359.470 2.380 20 30 FEEDRO C[C@@H](NC(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1)c1cccc(C#N)c1 ZINC000076724204 542318079 /nfs/dbraw/zinc/31/80/79/542318079.db2.gz YMIQSJGQPGEZFM-OAHLLOKOSA-N 1 0 364.449 2.478 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N2CCN(c3cc(F)ccc3F)CC2)CC1 ZINC000078331652 542455684 /nfs/dbraw/zinc/45/56/84/542455684.db2.gz IOVMCNJJGWNVSD-UHFFFAOYSA-N 1 0 364.440 2.447 20 30 FEEDRO N#CCc1ccc(OC[C@H](O)C[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000078955708 542490854 /nfs/dbraw/zinc/49/08/54/542490854.db2.gz FZBSDWUOMMSLPP-HXUWFJFHSA-N 1 0 369.440 2.454 20 30 FEEDRO C[C@H](C#N)OCC[N@H+](C)[C@@H](C)c1cccc(N2CCCS2(=O)=O)c1 ZINC000801946947 674156374 /nfs/dbraw/zinc/15/63/74/674156374.db2.gz QTECGYNMMVRKIY-CABCVRRESA-N 1 0 351.472 2.148 20 30 FEEDRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@H](Oc2ccccc2C#N)C(C)C)C1 ZINC000080210586 542575568 /nfs/dbraw/zinc/57/55/68/542575568.db2.gz MGFPQBBKOUUFCZ-AZUAARDMSA-N 1 0 373.497 2.435 20 30 FEEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000080446210 542590070 /nfs/dbraw/zinc/59/00/70/542590070.db2.gz JZJHPBDLKOTWSS-SFHVURJKSA-N 1 0 369.513 2.139 20 30 FEEDRO C=C(C)CN(CC)C(=O)CN(C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000081006009 542623218 /nfs/dbraw/zinc/62/32/18/542623218.db2.gz JPSVCNZGHMAYPE-UHFFFAOYSA-N 1 0 358.530 2.445 20 30 FEEDRO C[N@H+](CC(=O)NC1(C#N)CCCCC1)C1CCN(c2ccccn2)CC1 ZINC000080983686 542622079 /nfs/dbraw/zinc/62/20/79/542622079.db2.gz OROZBZILASBGGG-UHFFFAOYSA-N 1 0 355.486 2.325 20 30 FEEDRO C[C@@H]1CCC[N@@H+]1CCNC(=O)COc1ccc(C#N)c(Br)c1 ZINC000828840840 675847883 /nfs/dbraw/zinc/84/78/83/675847883.db2.gz WYAKKIDMDOVEKI-GFCCVEGCSA-N 1 0 366.259 2.300 20 30 FEEDRO C[C@@H]1C[N@@H+](CCC2CCN(C(=O)c3cc(C#N)cn3C)CC2)C[C@H](C)O1 ZINC000081808713 542678066 /nfs/dbraw/zinc/67/80/66/542678066.db2.gz DKYCGZRJWPYVQP-IYBDPMFKSA-N 1 0 358.486 2.248 20 30 FEEDRO [NH2+]=C(NCc1nccn1CC(F)(F)F)N[C@H]1CCOc2ccccc21 ZINC000083052456 542690835 /nfs/dbraw/zinc/69/08/35/542690835.db2.gz FQSYFAJNWNLXMW-LBPRGKRZSA-N 1 0 353.348 2.374 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(C(F)(F)F)nc2C)c1C#N ZINC000089675264 542768343 /nfs/dbraw/zinc/76/83/43/542768343.db2.gz VPLUCFRHPYAWRQ-UHFFFAOYSA-N 1 0 366.347 2.408 20 30 FEEDRO CC[C@H](Oc1ccccc1F)C(=O)Nc1n[nH]c(CCC[NH2+]C)c1C#N ZINC000089677870 542768451 /nfs/dbraw/zinc/76/84/51/542768451.db2.gz HOVBPAYGXFDGJV-HNNXBMFYSA-N 1 0 359.405 2.369 20 30 FEEDRO N#CCOc1cccc(CC(=O)N2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000089846027 542771849 /nfs/dbraw/zinc/77/18/49/542771849.db2.gz AWDNXDKCLQINBT-UHFFFAOYSA-N 1 0 371.481 2.235 20 30 FEEDRO C#CCOc1ccc([C@@H](C)[NH2+][C@H]2CCCN(c3ccn(C)n3)C2=O)cc1 ZINC000090116552 542782770 /nfs/dbraw/zinc/78/27/70/542782770.db2.gz KCPJRBZZFBWWMM-QAPCUYQASA-N 1 0 352.438 2.278 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2=O)CC1 ZINC000090561690 542785988 /nfs/dbraw/zinc/78/59/88/542785988.db2.gz MBULAUYKVYBIIQ-LJQANCHMSA-N 1 0 370.497 2.127 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc3nn(C(C)C)cc3c2)CC1 ZINC000091240307 542801117 /nfs/dbraw/zinc/80/11/17/542801117.db2.gz JPZYWUGMADBLBZ-UHFFFAOYSA-N 1 0 369.469 2.322 20 30 FEEDRO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CC[C@H](Cc3ccccc3)C2)CC1 ZINC000091581409 542813415 /nfs/dbraw/zinc/81/34/15/542813415.db2.gz ISJMWIRWMQGQQA-RTWAWAEBSA-N 1 0 368.525 2.243 20 30 FEEDRO CN(C)S(=O)(=O)c1ccc(CNC(=[NH2+])NC2CCCCCC2)cc1 ZINC000092277661 542853528 /nfs/dbraw/zinc/85/35/28/542853528.db2.gz IUUGKTWKHGDQTB-UHFFFAOYSA-N 1 0 352.504 2.064 20 30 FEEDRO COc1ccc(C)cc1NC(=O)[C@H]1CCC[N@@H+]1CCC(=O)N(C)CCC#N ZINC000092804532 542887962 /nfs/dbraw/zinc/88/79/62/542887962.db2.gz FTJHQPFLSOGKPS-QGZVFWFLSA-N 1 0 372.469 2.169 20 30 FEEDRO CN(CCC#N)C(=O)CC[N@@H+]1CC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000093329170 542927368 /nfs/dbraw/zinc/92/73/68/542927368.db2.gz QMQQIFRYJYLJIY-CQSZACIVSA-N 1 0 370.375 2.316 20 30 FEEDRO C#Cc1cccc(NC(=O)C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000093277610 542922541 /nfs/dbraw/zinc/92/25/41/542922541.db2.gz ZMSPVLVCIDXRBD-UHFFFAOYSA-N 1 0 362.433 2.034 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H]2CCCN(c3ncccn3)C2)CC1 ZINC000094033641 542948522 /nfs/dbraw/zinc/94/85/22/542948522.db2.gz CATFDFQQRBXUNZ-KRWDZBQOSA-N 1 0 372.517 2.033 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Cc1nc2nc(C)cc(C)n2n1)C(C)C ZINC000101684357 543040934 /nfs/dbraw/zinc/04/09/34/543040934.db2.gz BIMDKWNLMVKBGP-KRWDZBQOSA-N 1 0 370.501 2.098 20 30 FEEDRO CCOC(=O)N1CCC(NC(=[NH2+])NCCCN(C)c2ccccc2)CC1 ZINC000104155718 543125289 /nfs/dbraw/zinc/12/52/89/543125289.db2.gz LKPAMPOYCOVKQJ-UHFFFAOYSA-N 1 0 361.490 2.038 20 30 FEEDRO COc1ccc(CNC(=[NH2+])NCCCCNc2ccccn2)cc1OC ZINC000104192069 543126195 /nfs/dbraw/zinc/12/61/95/543126195.db2.gz GIMAHQWJOVFQPW-UHFFFAOYSA-N 1 0 357.458 2.395 20 30 FEEDRO Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N(CC[NH+](C)C)CC(C)C ZINC000104529210 543133984 /nfs/dbraw/zinc/13/39/84/543133984.db2.gz ZDGWEUOOPILORA-UHFFFAOYSA-N 1 0 370.501 2.197 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cc(Cl)ccc2-n2cnnn2)CC1 ZINC000106036584 543186159 /nfs/dbraw/zinc/18/61/59/543186159.db2.gz LHPNGYROPZDNAB-UHFFFAOYSA-N 1 0 360.849 2.086 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)CN2c3ccccc3SCC2=O)CC1 ZINC000106039099 543186782 /nfs/dbraw/zinc/18/67/82/543186782.db2.gz QCMDGUGTGXFMGP-UHFFFAOYSA-N 1 0 359.495 2.282 20 30 FEEDRO C[N@H+](CCC(=O)Nc1sccc1C#N)C[C@@H]1CCCN1c1cccnn1 ZINC000106089015 543193938 /nfs/dbraw/zinc/19/39/38/543193938.db2.gz JBEACQBJLCECQM-HNNXBMFYSA-N 1 0 370.482 2.339 20 30 FEEDRO N#C[C@@H]1CN(C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)CCO1 ZINC000106336305 543224114 /nfs/dbraw/zinc/22/41/14/543224114.db2.gz VVESFMNXEXNJCM-LJQANCHMSA-N 1 0 356.470 2.497 20 30 FEEDRO C[N@@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)C[C@@H]1CCCOC1 ZINC000107690609 543275280 /nfs/dbraw/zinc/27/52/80/543275280.db2.gz QGZADYZKMLXWDL-HNNXBMFYSA-N 1 0 353.426 2.041 20 30 FEEDRO CCN1CCCN(S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000108874388 543306515 /nfs/dbraw/zinc/30/65/15/543306515.db2.gz CTTLJVXLGNNIGK-UHFFFAOYSA-N 1 0 361.389 2.293 20 30 FEEDRO CC(C)C(=O)NC[C@H]1CCC[N@H+](CC(=O)N(C)C2(C#N)CCCCC2)C1 ZINC000110267878 543353741 /nfs/dbraw/zinc/35/37/41/543353741.db2.gz FGZLZEFHBPCJCB-QGZVFWFLSA-N 1 0 362.518 2.155 20 30 FEEDRO COCC[NH+]1CCC(NC(=O)CCCCOc2cccc(C#N)c2)CC1 ZINC000110663635 543364799 /nfs/dbraw/zinc/36/47/99/543364799.db2.gz ILVCSQVFQQREKE-UHFFFAOYSA-N 1 0 359.470 2.334 20 30 FEEDRO C[NH+]=C(NCc1nccn1C(F)F)N1CCN(c2ccccc2F)CC1 ZINC000113954109 543499942 /nfs/dbraw/zinc/49/99/42/543499942.db2.gz GWAJVAMHVNHAFA-UHFFFAOYSA-N 1 0 366.391 2.315 20 30 FEEDRO CN(C)C(=O)CNC(N[C@H]1CCOc2ccccc21)=[NH+]C1CCCCC1 ZINC000114088891 543503854 /nfs/dbraw/zinc/50/38/54/543503854.db2.gz CTDQRIFEENTGEN-KRWDZBQOSA-N 1 0 358.486 2.466 20 30 FEEDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)COc2ccccc2C#N)[C@H](C)C1 ZINC000115274724 543557518 /nfs/dbraw/zinc/55/75/18/543557518.db2.gz BRMFZICHDZOYPI-AEFFLSMTSA-N 1 0 359.470 2.190 20 30 FEEDRO C[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cccc(C#Cc2ccccc2)c1 ZINC000118104352 543645504 /nfs/dbraw/zinc/64/55/04/543645504.db2.gz DPTCTWOQTIJMKF-FQEVSTJZSA-N 1 0 361.445 2.235 20 30 FEEDRO C=CCCS(=O)(=O)NCc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000119606657 543670066 /nfs/dbraw/zinc/67/00/66/543670066.db2.gz WXSIASVPATUCJG-IYBDPMFKSA-N 1 0 352.500 2.291 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)Nc1ccc(Cl)nc1)C(C)C ZINC000120274424 543677907 /nfs/dbraw/zinc/67/79/07/543677907.db2.gz FCGXYBZLGGOIHM-HNNXBMFYSA-N 1 0 364.877 2.488 20 30 FEEDRO C=CCCS(=O)(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCOCC1 ZINC000120602515 543682390 /nfs/dbraw/zinc/68/23/90/543682390.db2.gz JGGHDBNTARQLFL-MRXNPFEDSA-N 1 0 352.500 2.382 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCc1cccnc1 ZINC000122842305 543726812 /nfs/dbraw/zinc/72/68/12/543726812.db2.gz APHCRLNXQKJOAN-UHFFFAOYSA-N 1 0 351.454 2.269 20 30 FEEDRO N#Cc1ccc2ncc(C[NH2+]CCNC(=O)c3c(F)cccc3F)n2c1 ZINC000123746314 543780399 /nfs/dbraw/zinc/78/03/99/543780399.db2.gz UJBNHOKTEAGOAL-UHFFFAOYSA-N 1 0 355.348 2.004 20 30 FEEDRO CCc1noc(C)c1CO[NH+]=C(N)c1ccc(N2CCC(O)CC2)cc1 ZINC000123499562 543765690 /nfs/dbraw/zinc/76/56/90/543765690.db2.gz WRLGVJUMPXQQJR-UHFFFAOYSA-N 1 0 358.442 2.344 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)NC[C@@H](C)Cc2ccc(OC)c(OC)c2)CC1 ZINC000123524012 543767241 /nfs/dbraw/zinc/76/72/41/543767241.db2.gz FPOYZHHSLDVNDK-INIZCTEOSA-N 1 0 358.482 2.344 20 30 FEEDRO CN(C(=O)C[N@@H+]1CCC[C@H](Cc2nccn2C)C1)C1(C#N)CCCCC1 ZINC000123578242 543770329 /nfs/dbraw/zinc/77/03/29/543770329.db2.gz UQWZAAIWCFBINM-QGZVFWFLSA-N 1 0 357.502 2.359 20 30 FEEDRO C=CCN1C(=O)[C@@H](CC(=O)NCCC[NH+](C)C)S/C1=N/c1ccccc1 ZINC000125126124 543862070 /nfs/dbraw/zinc/86/20/70/543862070.db2.gz YXJITURIFKOEHY-QQMHEVNUSA-N 1 0 374.510 2.262 20 30 FEEDRO C[C@@H]1C[C@@H](NC(=O)N2CCN(c3ccccc3C#N)CC2)C[N@@H+]1C1CC1 ZINC000127325503 543986377 /nfs/dbraw/zinc/98/63/77/543986377.db2.gz DLOZLQIMTZKOLA-NVXWUHKLSA-N 1 0 353.470 2.015 20 30 FEEDRO C=CCOc1cccc(C[N@@H+]2CCCN(CC(=O)N3CCCC3)CC2)c1 ZINC000129288207 544102625 /nfs/dbraw/zinc/10/26/25/544102625.db2.gz DVWRJFWPJZVEDA-UHFFFAOYSA-N 1 0 357.498 2.382 20 30 FEEDRO C=CCN(CC=C)C(=O)C[NH+]1CCC(C(=O)N2CCc3ccccc32)CC1 ZINC000129366982 544107952 /nfs/dbraw/zinc/10/79/52/544107952.db2.gz QJHUIHGKBPWAHV-UHFFFAOYSA-N 1 0 367.493 2.488 20 30 FEEDRO CN(CCC#N)C(=O)CC[NH+]1CCC(NC(=O)Nc2ccccc2)CC1 ZINC000131842730 544209288 /nfs/dbraw/zinc/20/92/88/544209288.db2.gz JMFQXTLVZACYTO-UHFFFAOYSA-N 1 0 357.458 2.035 20 30 FEEDRO C[NH+]1CCN(Cc2ccc(CNc3nccc(C#N)c3[N+](=O)[O-])cc2)CC1 ZINC000133148710 544257886 /nfs/dbraw/zinc/25/78/86/544257886.db2.gz NASATLDMZZORAJ-UHFFFAOYSA-N 1 0 366.425 2.221 20 30 FEEDRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)Nc1cccc(OCCCC#N)c1 ZINC000133995474 544290755 /nfs/dbraw/zinc/29/07/55/544290755.db2.gz KDCWMYPTKYTXQS-MRXNPFEDSA-N 1 0 372.469 2.108 20 30 FEEDRO CCN(CCC#N)C(=O)C[N@H+]1C[C@@H](c2ccccc2)C[C@H](C(=O)OC)C1 ZINC000135468500 544348327 /nfs/dbraw/zinc/34/83/27/544348327.db2.gz BUZPMYAUBJHRIZ-ROUUACIJSA-N 1 0 357.454 2.027 20 30 FEEDRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1ccc(C#N)cc1F ZINC000136325692 544371459 /nfs/dbraw/zinc/37/14/59/544371459.db2.gz BCZKMGNQXUOXDH-OAHLLOKOSA-N 1 0 360.433 2.407 20 30 FEEDRO N#Cc1cccc(CNC(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)c1 ZINC000137231517 544387477 /nfs/dbraw/zinc/38/74/77/544387477.db2.gz RMNNGFGYHDHLKJ-RTBURBONSA-N 1 0 356.470 2.125 20 30 FEEDRO N#CC1(NC(=O)CN2CC[NH+](CCc3cccs3)CC2)CCCCC1 ZINC000141463132 544413342 /nfs/dbraw/zinc/41/33/42/544413342.db2.gz XLFKJWAQCAKQHN-UHFFFAOYSA-N 1 0 360.527 2.251 20 30 FEEDRO N#Cc1ccccc1OC[C@@H](O)C[NH2+]CCCn1cnc2ccccc21 ZINC000145611447 544435201 /nfs/dbraw/zinc/43/52/01/544435201.db2.gz IZXYZMIKLVOXEJ-KRWDZBQOSA-N 1 0 350.422 2.328 20 30 FEEDRO C[NH+](C)C[C@](C)(O)CNC(=O)c1cccc(Nc2ccc(C#N)cc2)c1 ZINC000152833062 544701199 /nfs/dbraw/zinc/70/11/99/544701199.db2.gz IEUQHMUHGYWBMF-HXUWFJFHSA-N 1 0 352.438 2.344 20 30 FEEDRO C[C@@H](C(=O)N1c2ccccc2C[C@H]1C)[N@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000153267667 544753739 /nfs/dbraw/zinc/75/37/39/544753739.db2.gz WNQRDVAWHWAXRU-KGLIPLIRSA-N 1 0 366.469 2.094 20 30 FEEDRO N#CCc1ccc(OC[C@H](O)C[NH+]2CCN(c3cccc(O)c3)CC2)cc1 ZINC000153777247 544821866 /nfs/dbraw/zinc/82/18/66/544821866.db2.gz TWQBMDRLNGEXOK-HXUWFJFHSA-N 1 0 367.449 2.020 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N(C)Cc2cc(Br)cn2C)CC1 ZINC000153528489 544787797 /nfs/dbraw/zinc/78/77/97/544787797.db2.gz WXRPJSDOSINKRG-UHFFFAOYSA-N 1 0 352.276 2.091 20 30 FEEDRO C[NH+](C)CCN(Cc1cccc(O)c1)C(=O)CNc1ccc(C#N)cc1 ZINC000153591716 544794790 /nfs/dbraw/zinc/79/47/90/544794790.db2.gz MABHMCSVZJJFTQ-UHFFFAOYSA-N 1 0 352.438 2.266 20 30 FEEDRO C#CCOc1ccc(C(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cc1 ZINC000154375372 544898180 /nfs/dbraw/zinc/89/81/80/544898180.db2.gz RZCDJRJCJQVGPG-YOFSQIOKSA-N 1 0 367.493 2.082 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCCCSCC(C)C)CC1 ZINC000553370971 674256180 /nfs/dbraw/zinc/25/61/80/674256180.db2.gz TUPJKILGBXDNSV-UHFFFAOYSA-N 1 0 355.548 2.039 20 30 FEEDRO C[NH+](C)CCn1nnnc1SCc1ccc(Br)cc1C#N ZINC000553704238 674280359 /nfs/dbraw/zinc/28/03/59/674280359.db2.gz NHWPZYUAYPZSEC-UHFFFAOYSA-N 1 0 367.276 2.161 20 30 FEEDRO N#Cc1nccn1CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000179871375 327662929 /nfs/dbraw/zinc/66/29/29/327662929.db2.gz FDCJBGOFATXVLV-MRXNPFEDSA-N 1 0 357.845 2.361 20 30 FEEDRO Cn1cc(C[NH2+]CCNC(=O)c2ccccc2)c(-c2ccc(C#N)cc2)n1 ZINC000180144005 327673243 /nfs/dbraw/zinc/67/32/43/327673243.db2.gz PPJKWROHQRTLSB-UHFFFAOYSA-N 1 0 359.433 2.478 20 30 FEEDRO COc1cc(C#N)ccc1S(=O)(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000185651008 327926250 /nfs/dbraw/zinc/92/62/50/327926250.db2.gz CHZWBXCITOQKFT-INIZCTEOSA-N 1 0 353.488 2.212 20 30 FEEDRO CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)c1sccc1C#N ZINC000188150956 328069746 /nfs/dbraw/zinc/06/97/46/328069746.db2.gz LOGQVZIGYSUAOH-IBGZPJMESA-N 1 0 355.463 2.329 20 30 FEEDRO N#Cc1ccc(C2(C(=O)N3CCC(C[NH+]4CCOCC4)CC3)CC2)cc1 ZINC000188313425 328080023 /nfs/dbraw/zinc/08/00/23/328080023.db2.gz QJCWTKUDGVDPGD-UHFFFAOYSA-N 1 0 353.466 2.161 20 30 FEEDRO CC[N@H+](C)CCNC(=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 ZINC000188751560 328108689 /nfs/dbraw/zinc/10/86/89/328108689.db2.gz QLMHSYWTWBXUTD-UHFFFAOYSA-N 1 0 366.421 2.357 20 30 FEEDRO Cn1cc([C@@H]2CSCCN2CCC(=O)Nc2ccc(C#N)cc2)cn1 ZINC000191200599 328253779 /nfs/dbraw/zinc/25/37/79/328253779.db2.gz LWTFSIVACDYOQA-KRWDZBQOSA-N 1 0 355.467 2.410 20 30 FEEDRO Cn1cc(C[NH2+]C[C@H](O)COc2ccccc2Br)cc1C#N ZINC000191350679 328261478 /nfs/dbraw/zinc/26/14/78/328261478.db2.gz OJZXYIAVQLVNFS-AWEZNQCLSA-N 1 0 364.243 2.189 20 30 FEEDRO N#Cc1cc(C(=O)Nc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)ccn1 ZINC000193242361 328364601 /nfs/dbraw/zinc/36/46/01/328364601.db2.gz LRGQTZOONUEHMZ-UHFFFAOYSA-N 1 0 363.421 2.031 20 30 FEEDRO CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000193374760 328371378 /nfs/dbraw/zinc/37/13/78/328371378.db2.gz TXUKGWLYJJWWSL-MRXNPFEDSA-N 1 0 371.485 2.140 20 30 FEEDRO CC(=O)N1CCC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)CC1 ZINC000011419819 324370704 /nfs/dbraw/zinc/37/07/04/324370704.db2.gz KTVSOPNYMXWBHN-UHFFFAOYSA-N 1 0 374.510 2.381 20 30 FEEDRO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)C(=O)Nc1cccc(C#N)c1 ZINC000062593744 324860129 /nfs/dbraw/zinc/86/01/29/324860129.db2.gz WPMSKDKHLHIGID-UHFFFAOYSA-N 1 0 368.412 2.226 20 30 FEEDRO CC(C)N(CC[NH+]1CCCCCC1)S(=O)(=O)c1cccnc1C#N ZINC000553894833 674292896 /nfs/dbraw/zinc/29/28/96/674292896.db2.gz GOIKEKWLPWTUSC-UHFFFAOYSA-N 1 0 350.488 2.228 20 30 FEEDRO Cc1nc(C(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)ccc1C#N ZINC000081768061 325197015 /nfs/dbraw/zinc/19/70/15/325197015.db2.gz QFDRGVVAZCRCDR-UHFFFAOYSA-N 1 0 364.449 2.148 20 30 FEEDRO CC(C)OCC[NH+]1CCC(NC(=O)[C@H](C)Oc2ccccc2C#N)CC1 ZINC000081995866 325206155 /nfs/dbraw/zinc/20/61/55/325206155.db2.gz MZUJGQARZYECFY-INIZCTEOSA-N 1 0 359.470 2.331 20 30 FEEDRO C[NH+](C)[C@@H]1CCCN(S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)C1 ZINC000083537927 325218673 /nfs/dbraw/zinc/21/86/73/325218673.db2.gz DCBCCNVIVZLDNV-GFCCVEGCSA-N 1 0 361.389 2.292 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)CCC(=O)c2ccc(C)cc2)c1C#N ZINC000089661563 325326041 /nfs/dbraw/zinc/32/60/41/325326041.db2.gz AVLHMBFFUVZBRE-UHFFFAOYSA-N 1 0 353.426 2.343 20 30 FEEDRO N#Cc1cccc(NC(=O)NC[C@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)c1 ZINC000089682457 325327056 /nfs/dbraw/zinc/32/70/56/325327056.db2.gz CFMMAJFIGAVFFC-MOPGFXCFSA-N 1 0 350.422 2.315 20 30 FEEDRO CSc1ccc(NC(=O)[C@H](C)[N@H+](C)CCCc2[nH]nc(N)c2C#N)cc1 ZINC000089943676 325343884 /nfs/dbraw/zinc/34/38/84/325343884.db2.gz SVOBAZVIYUOJAT-LBPRGKRZSA-N 1 0 372.498 2.477 20 30 FEEDRO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1CCN1CCCc2ccccc21 ZINC000090552221 325363468 /nfs/dbraw/zinc/36/34/68/325363468.db2.gz FLPDDXIHHAHYGU-QGZVFWFLSA-N 1 0 362.481 2.312 20 30 FEEDRO Cn1nnc2cc(C(=O)N(CC[NH+](C)C)Cc3ccc(C#N)cc3)ccc21 ZINC000103759437 325527013 /nfs/dbraw/zinc/52/70/13/325527013.db2.gz DFCDYQZNHUIOJD-UHFFFAOYSA-N 1 0 362.437 2.044 20 30 FEEDRO CCC[NH+]1CCC(NC(=O)N2CCN(c3ccccc3C#N)CC2)CC1 ZINC000107327390 325624511 /nfs/dbraw/zinc/62/45/11/325624511.db2.gz RWFMXESQOOIMMT-UHFFFAOYSA-N 1 0 355.486 2.264 20 30 FEEDRO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000116447803 326015737 /nfs/dbraw/zinc/01/57/37/326015737.db2.gz URIUVWJAOKSSJR-AZUAARDMSA-N 1 0 373.497 2.171 20 30 FEEDRO Cc1nc2c(cnn2C)c(N2CC[NH+]([C@H](C)c3ccc(C#N)cc3)CC2)n1 ZINC000118398432 326090405 /nfs/dbraw/zinc/09/04/05/326090405.db2.gz VSNXCPAIFHDLCK-CQSZACIVSA-N 1 0 361.453 2.427 20 30 FEEDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)C1 ZINC000119374046 326155324 /nfs/dbraw/zinc/15/53/24/326155324.db2.gz WRLKVMPVKAIJPG-HNNXBMFYSA-N 1 0 366.469 2.034 20 30 FEEDRO C[C@H](NC(=O)CNC(=O)c1ccc(C#N)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000119859394 326205932 /nfs/dbraw/zinc/20/59/32/326205932.db2.gz UWRKFXJNNWYSHC-MAUKXSAKSA-N 1 0 368.481 2.057 20 30 FEEDRO N#Cc1cccc(NC(=O)CC[N@@H+]2CC[C@@H]3[C@H](CCC(=O)N3C3CC3)C2)c1 ZINC000120085154 326228754 /nfs/dbraw/zinc/22/87/54/326228754.db2.gz UGBUADBPQQKWLU-VQIMIIECSA-N 1 0 366.465 2.362 20 30 FEEDRO CC(C)C[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2ccc(F)c(C#N)c2)C1 ZINC000120183384 326238811 /nfs/dbraw/zinc/23/88/11/326238811.db2.gz FZNMMMICVXJRDN-AWEZNQCLSA-N 1 0 353.463 2.344 20 30 FEEDRO N#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H]2C(=O)NC2CC2)cc1Cl ZINC000121370652 326333227 /nfs/dbraw/zinc/33/32/27/326333227.db2.gz UFJZLSQMJUQPSZ-MRXNPFEDSA-N 1 0 360.845 2.283 20 30 FEEDRO COc1cc(C#N)ccc1CN1CCN(CC(=O)NC2CCCCC2)CC1 ZINC000121378552 326334244 /nfs/dbraw/zinc/33/42/44/326334244.db2.gz ZRKYNFIPBRXHOV-UHFFFAOYSA-N 1 0 370.497 2.133 20 30 FEEDRO C[N@H+](CCCc1[nH]nc(N)c1C#N)[C@H]1CCCN(c2ccccc2F)C1=O ZINC000121463898 326340561 /nfs/dbraw/zinc/34/05/61/326340561.db2.gz NTHHIKFOKZNVHQ-KRWDZBQOSA-N 1 0 370.432 2.063 20 30 FEEDRO C[NH+](C)CCOc1ccc(NC(=O)C(=O)Nc2ccc(C#N)cc2F)cc1 ZINC000125360172 326470298 /nfs/dbraw/zinc/47/02/98/326470298.db2.gz GOSIZXDLYOROCU-UHFFFAOYSA-N 1 0 370.384 2.215 20 30 FEEDRO C[NH+](C)Cc1ccc(CNS(=O)(=O)c2ccc(F)c(C#N)c2)cc1F ZINC000134905377 326633384 /nfs/dbraw/zinc/63/33/84/326633384.db2.gz UATZQHBZOMKBSP-UHFFFAOYSA-N 1 0 365.405 2.377 20 30 FEEDRO C[C@H](C[NH+]1C[C@@H](C)C[C@H](C)C1)NC(=O)C(=O)Nc1ccc(C#N)cc1F ZINC000136057130 326649608 /nfs/dbraw/zinc/64/96/08/326649608.db2.gz KHNQISBEWZDOAX-MELADBBJSA-N 1 0 360.433 2.118 20 30 FEEDRO N#Cc1ccc2ncc(CNC3CC[NH+]([C@H]4CCCC[C@H]4O)CC3)n2c1 ZINC000136598767 326653581 /nfs/dbraw/zinc/65/35/81/326653581.db2.gz RIHMODCAWMDXAM-RBUKOAKNSA-N 1 0 353.470 2.063 20 30 FEEDRO CCO[C@H]1C[C@@H](O)C12CC[NH+](CCC(=O)Nc1ccccc1C#N)CC2 ZINC000152908110 326719355 /nfs/dbraw/zinc/71/93/55/326719355.db2.gz WTQMJVUCTUUXOZ-MSOLQXFVSA-N 1 0 357.454 2.139 20 30 FEEDRO CN(Cc1cccc(C#N)c1)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000155903332 326810112 /nfs/dbraw/zinc/81/01/12/326810112.db2.gz USJOTFVLARNOKE-WOJBJXKFSA-N 1 0 370.497 2.468 20 30 FEEDRO C[C@H](Oc1ccc(C#N)cc1)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000160670512 326973357 /nfs/dbraw/zinc/97/33/57/326973357.db2.gz HRTGLGRDTUZRSA-BEVDRBHNSA-N 1 0 371.481 2.210 20 30 FEEDRO CC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000162185650 327019238 /nfs/dbraw/zinc/01/92/38/327019238.db2.gz KYFUTDRHMCMSMN-CYBMUJFWSA-N 1 0 361.389 2.340 20 30 FEEDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NS(=O)(=O)c1ccccc1C#N ZINC000162328982 327022715 /nfs/dbraw/zinc/02/27/15/327022715.db2.gz JCGOZZXGFBFPEN-QAPCUYQASA-N 1 0 355.463 2.357 20 30 FEEDRO CCC[C@@H]1CN(C(=O)NCCOc2ccc(C#N)cc2)CC[N@@H+]1CCOC ZINC000162723388 327033029 /nfs/dbraw/zinc/03/30/29/327033029.db2.gz LAWRPELDQAURPQ-GOSISDBHSA-N 1 0 374.485 2.079 20 30 FEEDRO N#Cc1ccc(F)c(CS(=O)(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000163180373 327044988 /nfs/dbraw/zinc/04/49/88/327044988.db2.gz PSFNFXUETDXXAR-QGZVFWFLSA-N 1 0 365.474 2.477 20 30 FEEDRO Cc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)Nc2ccc(C#N)cc2)c1 ZINC000171394372 327136796 /nfs/dbraw/zinc/13/67/96/327136796.db2.gz BUPHEHACZASPQI-UHFFFAOYSA-N 1 0 364.449 2.396 20 30 FEEDRO CC[NH+](CC)CCCCNC(=O)CCc1c(C)nc2c(C#N)cnn2c1C ZINC000171980378 327174103 /nfs/dbraw/zinc/17/41/03/327174103.db2.gz SOKDBKLFEHDKSE-UHFFFAOYSA-N 1 0 370.501 2.389 20 30 FEEDRO Cc1cccc(NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)c1C#N ZINC000173277561 327246307 /nfs/dbraw/zinc/24/63/07/327246307.db2.gz WUACQIWPFZXUEB-CVEARBPZSA-N 1 0 354.454 2.279 20 30 FEEDRO COc1ccc(C[NH2+]Cc2ccc(S(=O)(=O)N(C)C)cc2)cc1C#N ZINC000174274474 327316706 /nfs/dbraw/zinc/31/67/06/327316706.db2.gz HOGZUZJRRZUUKB-UHFFFAOYSA-N 1 0 359.451 2.107 20 30 FEEDRO Cc1cccc(NC(=O)C(=O)NC[C@H](C2CCCCC2)[NH+](C)C)c1C#N ZINC000174631942 327339943 /nfs/dbraw/zinc/33/99/43/327339943.db2.gz BJSOSPDNWOYCMG-GOSISDBHSA-N 1 0 356.470 2.432 20 30 FEEDRO C[N@H+](CCC(=O)Nc1ccccc1C#N)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000174783759 327350778 /nfs/dbraw/zinc/35/07/78/327350778.db2.gz QROYNVYTOCAAFN-SJORKVTESA-N 1 0 363.483 2.174 20 30 FEEDRO COc1cc(OC)cc(N2CC[C@H]([NH2+]Cc3cccc(C#N)c3)C2=O)c1 ZINC000177711506 327539815 /nfs/dbraw/zinc/53/98/15/327539815.db2.gz AQJXDRJKPRAFML-IBGZPJMESA-N 1 0 351.406 2.471 20 30 FEEDRO Cc1c(C#N)cccc1NC(=O)C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000178409411 327583339 /nfs/dbraw/zinc/58/33/39/327583339.db2.gz CJYYDTTXBWQBNB-SFHVURJKSA-N 1 0 368.412 2.363 20 30 FEEDRO C[C@H]([NH2+][C@H]1CCCC[C@H]1C(N)=O)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000249406073 328768336 /nfs/dbraw/zinc/76/83/36/328768336.db2.gz WOKJUIIQLMDBKG-SUHUHFCYSA-N 1 0 360.483 2.069 20 30 FEEDRO C[C@H]([NH3+])[C@H]1CCCN(S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)C1 ZINC000262157337 328846528 /nfs/dbraw/zinc/84/65/28/328846528.db2.gz ZMMKXQREWXVORQ-QWRGUYRKSA-N 1 0 361.389 2.325 20 30 FEEDRO C[C@@H](NC(=O)N(C)CC[N@H+](C)C1CCN(C)CC1)c1ccc(C#N)cc1 ZINC000264279317 329007059 /nfs/dbraw/zinc/00/70/59/329007059.db2.gz REEXSPPKHNYROT-MRXNPFEDSA-N 1 0 357.502 2.287 20 30 FEEDRO CN(Cc1cccc(C#N)c1)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000264461911 329025847 /nfs/dbraw/zinc/02/58/47/329025847.db2.gz YNTJDAMXNTVZQN-UHFFFAOYSA-N 1 0 356.470 2.345 20 30 FEEDRO CC(C)CCC(=O)NCC(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000264707929 329051468 /nfs/dbraw/zinc/05/14/68/329051468.db2.gz VMZQVKRJKYSKPI-UHFFFAOYSA-N 1 0 358.486 2.001 20 30 FEEDRO C[C@H](CNC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1)C[NH+]1CCCCC1 ZINC000265447338 329127796 /nfs/dbraw/zinc/12/77/96/329127796.db2.gz SADMIZMFYXIAJD-CYBMUJFWSA-N 1 0 362.861 2.388 20 30 FEEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)NCCn3cccc3)CC2)cc1 ZINC000267781423 329357554 /nfs/dbraw/zinc/35/75/54/329357554.db2.gz NGPKYIVDMRQWLB-UHFFFAOYSA-N 1 0 351.454 2.277 20 30 FEEDRO N#Cc1c[nH]c(C(=O)NC2CC[NH+](CCOc3ccc(F)cc3)CC2)c1 ZINC000267862577 329363930 /nfs/dbraw/zinc/36/39/30/329363930.db2.gz HMDSRXGLGSOGKU-UHFFFAOYSA-N 1 0 356.401 2.299 20 30 FEEDRO CC(C)[C@@H](C(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1)[NH+](C)C ZINC000269155189 329491435 /nfs/dbraw/zinc/49/14/35/329491435.db2.gz RUGJKQJLPBGAIF-SFHVURJKSA-N 1 0 356.470 2.322 20 30 FEEDRO CS[C@H]1CN(C(=O)c2c(F)cc(C#N)cc2F)C[C@@H]1[NH+]1CCCC1 ZINC000274190949 329924504 /nfs/dbraw/zinc/92/45/04/329924504.db2.gz LOXTVXHZLSYCMP-GJZGRUSLSA-N 1 0 351.422 2.488 20 30 FEEDRO COC(=O)CCCCC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000275362897 330039834 /nfs/dbraw/zinc/03/98/34/330039834.db2.gz WSZGWLCLHHXSMK-UHFFFAOYSA-N 1 0 357.454 2.326 20 30 FEEDRO CN(C)C(=O)c1c[nH]nc1[C@@H]1CCC[N@H+](CCOc2ccccc2C#N)C1 ZINC000364802402 330205328 /nfs/dbraw/zinc/20/53/28/330205328.db2.gz FRLIRPRNEYVOGH-MRXNPFEDSA-N 1 0 367.453 2.242 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000367178638 330226420 /nfs/dbraw/zinc/22/64/20/330226420.db2.gz ACBWPDVNULCJJA-HNNXBMFYSA-N 1 0 361.492 2.420 20 30 FEEDRO N#Cc1cc(Br)ccc1C[NH2+][C@@H](CC(N)=O)C1CCOCC1 ZINC000554272879 674310320 /nfs/dbraw/zinc/31/03/20/674310320.db2.gz WLLDMCGFCGBKMI-HNNXBMFYSA-N 1 0 366.259 2.081 20 30 FEEDRO N#Cc1cc(Br)ccc1CN1CC[NH+](CCCCO)CC1 ZINC000805748856 674351852 /nfs/dbraw/zinc/35/18/52/674351852.db2.gz RREBLCGXNPFCLQ-UHFFFAOYSA-N 1 0 352.276 2.211 20 30 FEEDRO CNC(=O)CCC[N@H+](C)CC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000155315276 545509853 /nfs/dbraw/zinc/50/98/53/545509853.db2.gz JDENGPYFPMLEMZ-CQSZACIVSA-N 1 0 362.499 2.477 20 30 FEEDRO C#CCOc1cccc(NC(=O)C(=O)NC[C@H]2CCC[N@@H+](CC(C)C)C2)c1 ZINC000155466700 545530007 /nfs/dbraw/zinc/53/00/07/545530007.db2.gz KFMWLAAXSOLBPK-QGZVFWFLSA-N 1 0 371.481 2.121 20 30 FEEDRO CC(C)CCC[C@H](C)NC(=O)CN1CCN(c2nccnc2C#N)C[C@H]1C ZINC000155677560 545556966 /nfs/dbraw/zinc/55/69/66/545556966.db2.gz RPOMJWRGJLLBEQ-DLBZAZTESA-N 1 0 372.517 2.190 20 30 FEEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+](C)C[C@@H](C)O)c1C#N ZINC000156271233 545613095 /nfs/dbraw/zinc/61/30/95/545613095.db2.gz GJVUACAGTPXYGY-CYBMUJFWSA-N 1 0 358.442 2.259 20 30 FEEDRO CC(=O)N1CC[C@H](C[N@H+](C)CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000156743109 545655114 /nfs/dbraw/zinc/65/51/14/545655114.db2.gz KGQJXAWXPOHDNH-CQSZACIVSA-N 1 0 362.861 2.340 20 30 FEEDRO CC[NH+](CC)CCN(CCOC)S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000157262112 545719838 /nfs/dbraw/zinc/71/98/38/545719838.db2.gz HKPOVSOFEWLLHV-UHFFFAOYSA-N 1 0 373.906 2.191 20 30 FEEDRO CC(C)CC(=O)NCCC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000159287450 545939888 /nfs/dbraw/zinc/93/98/88/545939888.db2.gz IKVAUSYGERKJGC-UHFFFAOYSA-N 1 0 370.497 2.145 20 30 FEEDRO C=CC[C@@H](C)[C@H](C)[NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000159735382 545976669 /nfs/dbraw/zinc/97/66/69/545976669.db2.gz QLUUKAIVFUCRDQ-CVEARBPZSA-N 1 0 352.500 2.398 20 30 FEEDRO CC[NH+]1CCN([C@H]2CCN(C(=O)N[C@H](CCC#N)c3ccccc3)C2)CC1 ZINC000160665609 546061084 /nfs/dbraw/zinc/06/10/84/546061084.db2.gz PNUXIKAWOSIEOR-VQTJNVASSA-N 1 0 369.513 2.453 20 30 FEEDRO C[NH+](C)C1CCN(CCNC(=O)N[C@@H](CCC#N)c2ccccc2)CC1 ZINC000160687027 546063683 /nfs/dbraw/zinc/06/36/83/546063683.db2.gz CYTUXDNWBBCKPM-IBGZPJMESA-N 1 0 357.502 2.357 20 30 FEEDRO C[N@@H+]1CCCN(C(=O)C(=O)Nc2ccccc2C#Cc2ccccc2)CC1 ZINC000161986560 546136511 /nfs/dbraw/zinc/13/65/11/546136511.db2.gz NNFINQXDFDAJPP-UHFFFAOYSA-N 1 0 361.445 2.189 20 30 FEEDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)CC1(C#N)CC1 ZINC000165785984 546153019 /nfs/dbraw/zinc/15/30/19/546153019.db2.gz FLRCPENCNDSXAZ-SFHVURJKSA-N 1 0 361.511 2.464 20 30 FEEDRO COc1ccc(CCNC(=[NH2+])NCCc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000170909846 546181805 /nfs/dbraw/zinc/18/18/05/546181805.db2.gz HXMSGYNNPLYXQV-UHFFFAOYSA-N 1 0 372.425 2.302 20 30 FEEDRO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)CNC(=O)c2ccc(C#N)cc2)C1 ZINC000171115310 546192047 /nfs/dbraw/zinc/19/20/47/546192047.db2.gz RDPQPALQVYCEKY-HOTGVXAUSA-N 1 0 370.497 2.161 20 30 FEEDRO Cc1ccc(N2CCC(C(=O)N(CCC#N)CCC[NH+](C)C)CC2)nc1 ZINC000171468898 546210764 /nfs/dbraw/zinc/21/07/64/546210764.db2.gz KFQRYOJYJYRFSM-UHFFFAOYSA-N 1 0 357.502 2.300 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc3c(c2)CCCO3)CC1 ZINC000171621107 546215685 /nfs/dbraw/zinc/21/56/85/546215685.db2.gz HBKGHMUAEWDGOR-UHFFFAOYSA-N 1 0 357.454 2.107 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C[C@H]2c3ccccc3CCN2C(C)=O)CC1 ZINC000171723412 546221446 /nfs/dbraw/zinc/22/14/46/546221446.db2.gz ZLIQTMHKPOBZPH-FQEVSTJZSA-N 1 0 355.482 2.289 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)c2ccc3c(c2)C(=O)N(CCCC)C3=O)CC1 ZINC000171726006 546222325 /nfs/dbraw/zinc/22/23/25/546222325.db2.gz ICICSDUXUIPMQR-UHFFFAOYSA-N 1 0 369.465 2.463 20 30 FEEDRO N#CCCn1ccc(NC(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)n1 ZINC000173343380 546278844 /nfs/dbraw/zinc/27/88/44/546278844.db2.gz CJUZJVQKYOIJIN-SFHVURJKSA-N 1 0 366.469 2.483 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)CC1 ZINC000173510751 546282859 /nfs/dbraw/zinc/28/28/59/546282859.db2.gz QHVMFCVQGHWGGU-IBGZPJMESA-N 1 0 353.510 2.455 20 30 FEEDRO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000174846130 546304399 /nfs/dbraw/zinc/30/43/99/546304399.db2.gz AZAOVRUKTYFYGU-GJZGRUSLSA-N 1 0 352.438 2.323 20 30 FEEDRO CN(CC(=O)N(CCC#N)CCC#N)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000174946279 546305366 /nfs/dbraw/zinc/30/53/66/546305366.db2.gz QWIUMHJYRRCPOE-FQEVSTJZSA-N 1 0 367.497 2.239 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)c2ccc(CS(=O)(=O)C(F)F)cc2)CC1 ZINC000175207955 546306997 /nfs/dbraw/zinc/30/69/97/546306997.db2.gz PUVVMGLGCUIBBD-UHFFFAOYSA-N 1 0 372.437 2.204 20 30 FEEDRO CC(C)(C#N)CNC(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000479816498 561197591 /nfs/dbraw/zinc/19/75/91/561197591.db2.gz OHHOJFOEFMQDSY-UHFFFAOYSA-N 1 0 357.502 2.043 20 30 FEEDRO C=CCc1ccccc1OC[C@@H](O)C[NH+]1CCC(O[C@@H]2CCOC2)CC1 ZINC000480306669 561206914 /nfs/dbraw/zinc/20/69/14/561206914.db2.gz KSZMHZBIMMZXMN-AZUAARDMSA-N 1 0 361.482 2.425 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1cccc(C(=O)NC2CC2)c1 ZINC000176546392 546459101 /nfs/dbraw/zinc/45/91/01/546459101.db2.gz GIZSHFRPISDSSR-UHFFFAOYSA-N 1 0 357.458 2.278 20 30 FEEDRO Cc1ccc(C(=O)N(C)C)cc1NC(=O)N(CCC#N)CCC[NH+](C)C ZINC000176551071 546459879 /nfs/dbraw/zinc/45/98/79/546459879.db2.gz MRLVXTPUMPYTLM-UHFFFAOYSA-N 1 0 359.474 2.396 20 30 FEEDRO N#CC1CCN(C(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)CC1 ZINC000176655608 546473013 /nfs/dbraw/zinc/47/30/13/546473013.db2.gz WEYABQWZQIISMK-UHFFFAOYSA-N 1 0 356.470 2.088 20 30 FEEDRO N#Cc1ccc2ncc(C[NH2+]C[C@H](CO)Cc3ccc(F)c(F)c3)n2c1 ZINC000480475604 561210050 /nfs/dbraw/zinc/21/00/50/561210050.db2.gz XNCJYVIAULKOOX-OAHLLOKOSA-N 1 0 356.376 2.425 20 30 FEEDRO C=C(C)COc1cc(C[NH2+][C@@H](CC)C(=O)N2CCOCC2)ccc1OC ZINC000176805126 546490621 /nfs/dbraw/zinc/49/06/21/546490621.db2.gz LTTVBVDJRQOPEU-KRWDZBQOSA-N 1 0 362.470 2.377 20 30 FEEDRO CC(C)(C)OC(=O)N1CCN(CC[NH2+]Cc2ccc(C#N)s2)CC1 ZINC000176963038 546516134 /nfs/dbraw/zinc/51/61/34/546516134.db2.gz CVTIOFMJCGCRLQ-UHFFFAOYSA-N 1 0 350.488 2.262 20 30 FEEDRO COC(=O)[C@]1(C)CC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1 ZINC000177451691 546621445 /nfs/dbraw/zinc/62/14/45/546621445.db2.gz KTWINEWCNGNQRE-IFXJQAMLSA-N 1 0 361.417 2.346 20 30 FEEDRO N#Cc1cc(F)ccc1NC(=O)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000177898503 546705091 /nfs/dbraw/zinc/70/50/91/546705091.db2.gz MXQJXJBSVQUOBB-GOSISDBHSA-N 1 0 368.412 2.238 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)CCCC(=O)Nc2ccccc2C#N)CC1 ZINC000178537714 546809653 /nfs/dbraw/zinc/80/96/53/546809653.db2.gz NMVMTFIRYDLFAM-UHFFFAOYSA-N 1 0 354.454 2.434 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N(C)Cc2cn(C)nc2C(F)(F)F)CC1 ZINC000178674579 546830755 /nfs/dbraw/zinc/83/07/55/546830755.db2.gz VJQDXHDTORZYHM-UHFFFAOYSA-N 1 0 359.396 2.231 20 30 FEEDRO O=C(NCC[NH2+]Cc1cc(F)cc(C(F)(F)F)c1)C1N=CC=CC1=O ZINC000178790847 546849895 /nfs/dbraw/zinc/84/98/95/546849895.db2.gz SIXHNLVAUIOEKO-PFONDFGASA-N 1 0 357.307 2.461 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)NCCNc2cc(OC)cc(OC)c2)CC1 ZINC000179033319 546889792 /nfs/dbraw/zinc/88/97/92/546889792.db2.gz LFVQQTTYKNYYOH-UHFFFAOYSA-N 1 0 362.474 2.065 20 30 FEEDRO C[NH+](C)CCOc1cc(CNC(=O)/C=C/c2ccccc2C#N)ccn1 ZINC000179474779 546960656 /nfs/dbraw/zinc/96/06/56/546960656.db2.gz VDECVHWZSJUELA-BQYQJAHWSA-N 1 0 350.422 2.223 20 30 FEEDRO Cn1cc(CN(CC(N)=O)Cc2ccccc2)c(-c2ccc(C#N)cc2)n1 ZINC000180142016 547057328 /nfs/dbraw/zinc/05/73/28/547057328.db2.gz HTLJONIBFKBAEN-UHFFFAOYSA-N 1 0 359.433 2.446 20 30 FEEDRO C=C(C)CN(C)C(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000180672926 547155370 /nfs/dbraw/zinc/15/53/70/547155370.db2.gz WDDZAELXPAWXEP-UHFFFAOYSA-N 1 0 353.850 2.253 20 30 FEEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+]2CC[C@@](C)(O)C2)c1C#N ZINC000483058147 561266241 /nfs/dbraw/zinc/26/62/41/561266241.db2.gz ZAUUBXJEHZCTFF-HXUWFJFHSA-N 1 0 370.453 2.403 20 30 FEEDRO CCS(=O)(=O)c1ccc(C[NH2+]Cc2cnc3ccc(C#N)cn23)cc1 ZINC000181023029 547232510 /nfs/dbraw/zinc/23/25/10/547232510.db2.gz YGLHAWIGGGOZGC-UHFFFAOYSA-N 1 0 354.435 2.289 20 30 FEEDRO COc1c[nH+]ccc1N1CCN(CCC(=O)Nc2cccc(C#N)c2)CC1 ZINC000483214555 561270747 /nfs/dbraw/zinc/27/07/47/561270747.db2.gz YDNAMEUPARECJG-UHFFFAOYSA-N 1 0 365.437 2.113 20 30 FEEDRO C[C@@H]([NH2+]CC(=O)N[C@@](C)(C#N)C1CC1)c1cccc(N2CCOC2=O)c1 ZINC000181301690 547288876 /nfs/dbraw/zinc/28/88/76/547288876.db2.gz PVLBHVBITXCSCN-YJYMSZOUSA-N 1 0 356.426 2.102 20 30 FEEDRO C[C@@H]([NH2+]CC(=O)N[C@](C)(C#N)C1CC1)c1cccc(N2CCOC2=O)c1 ZINC000181301725 547289169 /nfs/dbraw/zinc/28/91/69/547289169.db2.gz PVLBHVBITXCSCN-BFUOFWGJSA-N 1 0 356.426 2.102 20 30 FEEDRO C[C@H]([NH2+]CCCN1CCN(c2ncccn2)CC1)c1ccc(C#N)cc1 ZINC000181464219 547318807 /nfs/dbraw/zinc/31/88/07/547318807.db2.gz QBVNRXLUOQCLQT-KRWDZBQOSA-N 1 0 350.470 2.211 20 30 FEEDRO C[C@H]([NH2+]CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)c1cccnc1 ZINC000181632630 547347981 /nfs/dbraw/zinc/34/79/81/547347981.db2.gz LBIVHCALRLZILB-RDJZCZTQSA-N 1 0 369.494 2.203 20 30 FEEDRO CNC(=O)C[C@@H]([NH2+]CCC(=O)Nc1sccc1C#N)c1ccccc1 ZINC000483427587 561276946 /nfs/dbraw/zinc/27/69/46/561276946.db2.gz SEEKCXCXNGOSES-OAHLLOKOSA-N 1 0 356.451 2.415 20 30 FEEDRO CC(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccccc2O[C@@H](C)C#N)CC1 ZINC000181660920 547355886 /nfs/dbraw/zinc/35/58/86/547355886.db2.gz DGUSYEMTZUGCHC-HNNXBMFYSA-N 1 0 372.469 2.153 20 30 FEEDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1ccccc1O[C@@H](C)C#N ZINC000181744630 547372867 /nfs/dbraw/zinc/37/28/67/547372867.db2.gz XUTSDXJYKHOJLS-OAGGEKHMSA-N 1 0 372.469 2.153 20 30 FEEDRO C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@H](CC)c1cccc(S(N)(=O)=O)c1 ZINC000181747594 547373047 /nfs/dbraw/zinc/37/30/47/547373047.db2.gz DVNRNSOGDDVPTO-WMLDXEAASA-N 1 0 367.515 2.188 20 30 FEEDRO C[C@H](C#N)CNC(=O)NCc1cccc(OCC[N@H+](C)C2CCOCC2)c1 ZINC000182640142 547525395 /nfs/dbraw/zinc/52/53/95/547525395.db2.gz QRTWGDLPVAPFOQ-MRXNPFEDSA-N 1 0 374.485 2.135 20 30 FEEDRO CC1(C)CC[N@H+](CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)C1 ZINC000182803163 547554276 /nfs/dbraw/zinc/55/42/76/547554276.db2.gz BGOXJCFUELFWDU-SFHVURJKSA-N 1 0 358.461 2.266 20 30 FEEDRO C=CCOc1ccccc1CNC(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC000182832673 547558545 /nfs/dbraw/zinc/55/85/45/547558545.db2.gz WLSRHKFUYFSSLX-UHFFFAOYSA-N 1 0 360.502 2.030 20 30 FEEDRO C=CCc1cc(C[NH2+]C[C@](C)(O)C(=O)OC(C)(C)C)cc(OC)c1O ZINC000484754957 561305369 /nfs/dbraw/zinc/30/53/69/561305369.db2.gz SGCAEFSGZJSWDI-IBGZPJMESA-N 1 0 351.443 2.312 20 30 FEEDRO C[C@H](C#N)Oc1ccccc1NC(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000184340982 547809835 /nfs/dbraw/zinc/80/98/35/547809835.db2.gz BHNSHVJKTGFNKD-OAHLLOKOSA-N 1 0 359.474 2.125 20 30 FEEDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)Nc3cnn(-c4ncccc4C#N)c3)CC[C@@H]21 ZINC000184597047 547851373 /nfs/dbraw/zinc/85/13/73/547851373.db2.gz OBRBUGPQQNDROB-WBVHZDCISA-N 1 0 365.441 2.087 20 30 FEEDRO CC(C)[NH+]1CCC(NC(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1 ZINC000184629036 547856513 /nfs/dbraw/zinc/85/65/13/547856513.db2.gz UHJOSSWISOHRFE-UHFFFAOYSA-N 1 0 353.430 2.133 20 30 FEEDRO C[C@H](C[NH+]1CCCCCC1)NC(=O)c1ccc(-n2ncc(C#N)c2N)cc1 ZINC000185435519 547984625 /nfs/dbraw/zinc/98/46/25/547984625.db2.gz XKZSNKHSUQFVDL-OAHLLOKOSA-N 1 0 366.469 2.320 20 30 FEEDRO C[C@@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)[C@H]1COc2ccccc21 ZINC000185582856 548005267 /nfs/dbraw/zinc/00/52/67/548005267.db2.gz ISDQJRPMEKMTST-RDTXWAMCSA-N 1 0 356.447 2.486 20 30 FEEDRO O=C(NCC#Cc1cccc(C(F)(F)F)c1)NCC[N@@H+]1CCCOCC1 ZINC000186858840 548207835 /nfs/dbraw/zinc/20/78/35/548207835.db2.gz OUZKMNNRNVYIGJ-UHFFFAOYSA-N 1 0 369.387 2.078 20 30 FEEDRO C=C[C@@](C)(CCOC)C(=O)NCCN1CCN(c2ccc(F)cc2)CC1 ZINC000187114365 548251412 /nfs/dbraw/zinc/25/14/12/548251412.db2.gz RKFRDHOXNGJTDB-FQEVSTJZSA-N 1 0 363.477 2.293 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000189404820 548302025 /nfs/dbraw/zinc/30/20/25/548302025.db2.gz XKPIHYRERAFUTI-UHFFFAOYSA-N 1 0 360.414 2.018 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1cccc(C(F)F)c1 ZINC000189998548 548315333 /nfs/dbraw/zinc/31/53/33/548315333.db2.gz MZBGIJYXQAIDIU-UHFFFAOYSA-N 1 0 352.385 2.257 20 30 FEEDRO C=CCNC(=O)[C@@H](C)N1CCC(c2nc(C(=O)OCC)cs2)CC1 ZINC000191573954 548348323 /nfs/dbraw/zinc/34/83/23/548348323.db2.gz IUMNORPBIMPRNM-GFCCVEGCSA-N 1 0 351.472 2.190 20 30 FEEDRO C#CCCOc1ccc(C[NH2+]Cc2ccc(S(=O)(=O)CCO)cc2)cc1 ZINC000191837878 548351151 /nfs/dbraw/zinc/35/11/51/548351151.db2.gz HLXSLWXJMVBGIS-UHFFFAOYSA-N 1 0 373.474 2.145 20 30 FEEDRO CCOC1CC(CNC(=[NH2+])Nc2cccc(CC)c2)(N2CCOCC2)C1 ZINC000193827227 548398804 /nfs/dbraw/zinc/39/88/04/548398804.db2.gz JURKEQRKYLEXLN-UHFFFAOYSA-N 1 0 360.502 2.246 20 30 FEEDRO N#Cc1cccc(NC(=O)C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000194634179 548509443 /nfs/dbraw/zinc/50/94/43/548509443.db2.gz JCHRXLFWLPBXAU-SFHVURJKSA-N 1 0 362.433 2.135 20 30 FEEDRO C=CCN1C(=O)c2ccc(C(=O)N[C@@H]3CCC[C@H]([NH+](C)C)C3)cc2C1=O ZINC000487436878 561369751 /nfs/dbraw/zinc/36/97/51/561369751.db2.gz HHKGVKGIFQVXIG-CABCVRRESA-N 1 0 355.438 2.071 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(C(=O)C3CCC3)cc2)CC1 ZINC000487801717 561376049 /nfs/dbraw/zinc/37/60/49/561376049.db2.gz MEGJZWKJSXICSX-UHFFFAOYSA-N 1 0 369.465 2.375 20 30 FEEDRO C=CCc1ccc(OC[C@H](O)CN2CC[C@@H]([NH+]3CCCC3)C2)c(OC)c1 ZINC000245395629 548906024 /nfs/dbraw/zinc/90/60/24/548906024.db2.gz IGIAHZDBZMHZLJ-RTBURBONSA-N 1 0 360.498 2.334 20 30 FEEDRO C[C@H](CNC(=O)c1ccc(-n2ncc(C#N)c2N)cc1)[N@@H+]1CCC[C@H](C)C1 ZINC000245394448 548906109 /nfs/dbraw/zinc/90/61/09/548906109.db2.gz FQAJMPQLRLYNFH-LSDHHAIUSA-N 1 0 366.469 2.176 20 30 FEEDRO Cc1cccc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)c1C#N ZINC000245673639 548971831 /nfs/dbraw/zinc/97/18/31/548971831.db2.gz SRJWFWJACUOABS-OALUTQOASA-N 1 0 362.433 2.367 20 30 FEEDRO C[C@@H]1CC[N@H+](CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)C[C@@H]1C ZINC000245858526 549005599 /nfs/dbraw/zinc/00/55/99/549005599.db2.gz HLLOZHPIVFFRJQ-IXDOHACOSA-N 1 0 360.527 2.435 20 30 FEEDRO COc1cccc(C[C@H](C)[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)n1 ZINC000488480718 561390577 /nfs/dbraw/zinc/39/05/77/561390577.db2.gz FIMMNBYHUYEEKU-KXBFYZLASA-N 1 0 364.449 2.284 20 30 FEEDRO C=CCCCS(=O)(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000489128687 561404112 /nfs/dbraw/zinc/40/41/12/561404112.db2.gz LNYDJJHDLGREMP-UHFFFAOYSA-N 1 0 365.543 2.080 20 30 FEEDRO N#CCc1ccc(OC[C@H](O)CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000247710608 549374462 /nfs/dbraw/zinc/37/44/62/549374462.db2.gz IZMCTRRXZIIUAE-OAQYLSRUSA-N 1 0 365.477 2.310 20 30 FEEDRO N#CCc1ccc(OC[C@@H](O)CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000247710606 549374997 /nfs/dbraw/zinc/37/49/97/549374997.db2.gz IZMCTRRXZIIUAE-NRFANRHFSA-N 1 0 365.477 2.310 20 30 FEEDRO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCC[C@@H](CNC(=O)c2ccccc2)C1 ZINC000248344744 549420428 /nfs/dbraw/zinc/42/04/28/549420428.db2.gz LYVMEBZUABEZJV-MSOLQXFVSA-N 1 0 370.497 2.137 20 30 FEEDRO C=CC[C@H](CO)NC(=O)N[C@H]1CC[N@H+](C2CC2)[C@H]1c1cccc(OC)c1 ZINC000248605465 549466883 /nfs/dbraw/zinc/46/68/83/549466883.db2.gz WBZQTVLMIWNLRC-MNEFBYGVSA-N 1 0 359.470 2.209 20 30 FEEDRO C=CCCCS(=O)(=O)N1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000489583063 561414714 /nfs/dbraw/zinc/41/47/14/561414714.db2.gz WTGJPRRQMKQGRJ-IAGOWNOFSA-N 1 0 358.548 2.494 20 30 FEEDRO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N(C)[C@H]1CCN(c2ccccc2F)C1=O ZINC000489764002 561418547 /nfs/dbraw/zinc/41/85/47/561418547.db2.gz GSISNVRZVDNHST-LIVBEALHSA-N 1 0 374.460 2.306 20 30 FEEDRO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCC[C@@H](C(=O)Nc2cccc(C)n2)C1 ZINC000249683994 549615413 /nfs/dbraw/zinc/61/54/13/549615413.db2.gz JMGVCGLHYTWRKS-DOTOQJQBSA-N 1 0 371.485 2.049 20 30 FEEDRO COC[C@@H]1C[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@H](C)O1 ZINC000251920312 549658061 /nfs/dbraw/zinc/65/80/61/549658061.db2.gz SICLGDUTRWGKBA-WFASDCNBSA-N 1 0 351.834 2.276 20 30 FEEDRO C=C[C@@H](CC(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)c1ccccc1 ZINC000252801226 549678647 /nfs/dbraw/zinc/67/86/47/549678647.db2.gz ACFKMIJDHZVMLA-PKOBYXMFSA-N 1 0 355.482 2.111 20 30 FEEDRO COc1cccc(NC(=[NH2+])NCC(=O)N[C@H]2CCOc3ccccc32)c1 ZINC000261902273 549767567 /nfs/dbraw/zinc/76/75/67/549767567.db2.gz WXFCRWJVCMZUNQ-INIZCTEOSA-N 1 0 354.410 2.062 20 30 FEEDRO COc1ccc([C@@H]2CCN(C(NCc3nnc(C)n3C)=[NH+]C3CC3)C2)cc1 ZINC000261943235 549772095 /nfs/dbraw/zinc/77/20/95/549772095.db2.gz FBILAFFLDWDPRP-MRXNPFEDSA-N 1 0 368.485 2.230 20 30 FEEDRO Cc1nnc(CNC(N[C@H]2CCOc3ccccc32)=[NH+]CC2CCC2)n1C ZINC000261977826 549776230 /nfs/dbraw/zinc/77/62/30/549776230.db2.gz OCBMPVHPBPAXKA-KRWDZBQOSA-N 1 0 368.485 2.483 20 30 FEEDRO C[NH+]=C(NCc1nncn1-c1ccccc1)N(C)Cc1cc(Cl)cn1C ZINC000261998508 549779064 /nfs/dbraw/zinc/77/90/64/549779064.db2.gz SYMBLNVATHRUKZ-UHFFFAOYSA-N 1 0 371.876 2.467 20 30 FEEDRO N#Cc1cc(S(=O)(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)ccc1C(F)(F)F ZINC000262147232 549792684 /nfs/dbraw/zinc/79/26/84/549792684.db2.gz YMHYZFSVQHEZMZ-NEPJUHHUSA-N 1 0 359.373 2.092 20 30 FEEDRO C[C@@H]([NH3+])[C@H]1CCCN(S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)C1 ZINC000262157335 549793826 /nfs/dbraw/zinc/79/38/26/549793826.db2.gz ZMMKXQREWXVORQ-MNOVXSKESA-N 1 0 361.389 2.325 20 30 FEEDRO CC(C)c1cccc(NC(=[NH2+])NC[C@H]2CCC[C@@H]2NS(C)(=O)=O)c1 ZINC000262349870 549813252 /nfs/dbraw/zinc/81/32/52/549813252.db2.gz DZQASTBMITWLGX-ZBFHGGJFSA-N 1 0 352.504 2.255 20 30 FEEDRO Cc1occc1CN(C)C(NC[C@@H]1CCS(=O)(=O)C1)=[NH+]C1CCCC1 ZINC000262388099 549815860 /nfs/dbraw/zinc/81/58/60/549815860.db2.gz LQEOKEWUUQNEAQ-HNNXBMFYSA-N 1 0 367.515 2.343 20 30 FEEDRO CC(C)[NH+]=C(NC[C@H]1CCS(=O)(=O)C1)N1CC[C@@H](c2ccccc2)C1 ZINC000262438028 549820174 /nfs/dbraw/zinc/82/01/74/549820174.db2.gz UDPAPMCZOPGEHQ-SJLPKXTDSA-N 1 0 363.527 2.265 20 30 FEEDRO C[C@@H]1CCCC[C@@H]1[NH+]=C(NCc1ccoc1)NC[C@H]1CCS(=O)(=O)C1 ZINC000262462107 549821695 /nfs/dbraw/zinc/82/16/95/549821695.db2.gz XTZSAIDLYATEFW-OIISXLGYSA-N 1 0 367.515 2.328 20 30 FEEDRO C[NH+]1CCC(CCNC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)CC1 ZINC000264080651 549976653 /nfs/dbraw/zinc/97/66/53/549976653.db2.gz CVLPCCSVHKIYJO-UHFFFAOYSA-N 1 0 369.513 2.117 20 30 FEEDRO COc1cccc([C@H](CNS(=O)(=O)CCCC#N)[NH+]2CCCC2)c1 ZINC000264725476 550000463 /nfs/dbraw/zinc/00/04/63/550000463.db2.gz OJVPQBHBEKSRNJ-KRWDZBQOSA-N 1 0 351.472 2.055 20 30 FEEDRO CC[NH+](CC)CCOc1ccc(NC(=O)C(=O)NCCCCC#N)cc1 ZINC000265613409 550012556 /nfs/dbraw/zinc/01/25/56/550012556.db2.gz CXVZRHQRODGQGG-UHFFFAOYSA-N 1 0 360.458 2.156 20 30 FEEDRO Cc1ccc(CNC(=O)CON=C(N)c2ccc(C[NH+](C)C)cc2)cc1F ZINC000267014843 550026823 /nfs/dbraw/zinc/02/68/23/550026823.db2.gz OFPBEARGPWVEKL-UHFFFAOYSA-N 1 0 372.444 2.149 20 30 FEEDRO COc1cc(NC(=O)N(CCC#N)CCC[NH+](C)C)ccc1NC(C)=O ZINC000267356148 550030125 /nfs/dbraw/zinc/03/01/25/550030125.db2.gz GJMRSQGHHWGPTG-UHFFFAOYSA-N 1 0 361.446 2.353 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)c2ccc3c(c2)NC(=O)[C@@H](C)N3C)CC1 ZINC000267334160 550030188 /nfs/dbraw/zinc/03/01/88/550030188.db2.gz BJRYIVDXYJQUOD-CQSZACIVSA-N 1 0 356.470 2.234 20 30 FEEDRO CC1CCN(C(=[NH2+])NCCCc2nn(-c3ccccc3)c(N)c2C#N)CC1 ZINC000267464738 550032354 /nfs/dbraw/zinc/03/23/54/550032354.db2.gz WFFGFZVNWIBWNV-UHFFFAOYSA-N 1 0 365.485 2.305 20 30 FEEDRO C=C(C)COc1cccc(NC(=O)C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)c1 ZINC000268169833 550037073 /nfs/dbraw/zinc/03/70/73/550037073.db2.gz LOEXZXPGTARJAX-KBXCAEBGSA-N 1 0 357.454 2.179 20 30 FEEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(C#N)cc2Cl)C[C@@H]1C ZINC000491470996 561445920 /nfs/dbraw/zinc/44/59/20/561445920.db2.gz KKBXXBZWCPEJRM-JSGCOSHPSA-N 1 0 362.861 2.481 20 30 FEEDRO C=CCC[C@H](O)C[N@@H+]1CCc2cc(OC)c(OC)cc2[C@@H]1CC(=O)OC ZINC000268625028 550095813 /nfs/dbraw/zinc/09/58/13/550095813.db2.gz JIXKCXIBIJVGJS-RDJZCZTQSA-N 1 0 363.454 2.493 20 30 FEEDRO C=CCOc1ccc(C(=O)Nc2ccc(N3CC[NH2+]CC3)cn2)cc1OC ZINC000269170575 550163736 /nfs/dbraw/zinc/16/37/36/550163736.db2.gz UCHGVFWVGBHBQB-UHFFFAOYSA-N 1 0 368.437 2.317 20 30 FEEDRO C[NH+](C)C[C@H]1CCCN1S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000269385005 550189204 /nfs/dbraw/zinc/18/92/04/550189204.db2.gz ZDQRZWMTYSXCMG-GFCCVEGCSA-N 1 0 361.389 2.292 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@@H](O)CCc1ccccc1 ZINC000493073157 561454374 /nfs/dbraw/zinc/45/43/74/561454374.db2.gz XAJLLIAWYYWPEY-NRFANRHFSA-N 1 0 365.477 2.442 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N[C@H](CC)[C@@H](O)c2c(F)cccc2F)CC1 ZINC000269606223 550209970 /nfs/dbraw/zinc/20/99/70/550209970.db2.gz VOUDWXWKLUZHMD-SJLPKXTDSA-N 1 0 350.409 2.238 20 30 FEEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH2+][C@H]1CCC[C@]1(C)CO ZINC000493444544 561456147 /nfs/dbraw/zinc/45/61/47/561456147.db2.gz WDDWOIMDTKGDLV-ZAAXVRCTSA-N 1 0 359.470 2.471 20 30 FEEDRO C=C[C@@H](CC(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C)c1ccccc1 ZINC000270322855 550261752 /nfs/dbraw/zinc/26/17/52/550261752.db2.gz VFOQHZMTTYJBDS-HKUYNNGSSA-N 1 0 357.498 2.405 20 30 FEEDRO C#CC[C@H](NC(=O)N1CC[C@H](N2CC[NH+](CC)CC2)C1)c1ccccc1 ZINC000270375317 550266726 /nfs/dbraw/zinc/26/67/26/550266726.db2.gz UVDIYLTVVFDEDH-PMACEKPBSA-N 1 0 354.498 2.172 20 30 FEEDRO Cc1cc(C#N)ccc1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000270852719 550313648 /nfs/dbraw/zinc/31/36/48/550313648.db2.gz MCJOXIJFUFOJTF-FPOVZHCZSA-N 1 0 363.461 2.480 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CC[C@@H](N2CCCC2=O)C1 ZINC000270899102 550318434 /nfs/dbraw/zinc/31/84/34/550318434.db2.gz MHLACTULTYEPOU-HZPDHXFCSA-N 1 0 361.511 2.348 20 30 FEEDRO C#CCOc1ccccc1C[NH2+][C@@H](C)c1ccc(S(=O)(=O)NC)cc1 ZINC000271462391 550377424 /nfs/dbraw/zinc/37/74/24/550377424.db2.gz KFIMTDCRIUFLGU-HNNXBMFYSA-N 1 0 358.463 2.458 20 30 FEEDRO CN(CCC#N)C(=O)CC[NH+]1CCC(c2nc(-c3ccccc3)n[nH]2)CC1 ZINC000271624733 550390842 /nfs/dbraw/zinc/39/08/42/550390842.db2.gz XQQQPQDLAUZEDC-UHFFFAOYSA-N 1 0 366.469 2.413 20 30 FEEDRO C#CC[C@@H]([NH2+]CCC(=O)N1CCN(c2ccccn2)CC1)c1ccccc1 ZINC000271658829 550393283 /nfs/dbraw/zinc/39/32/83/550393283.db2.gz CZJFRXLTQZQIGT-HXUWFJFHSA-N 1 0 362.477 2.475 20 30 FEEDRO C=CCN(CC=C)C(=O)C[NH2+][C@H]1CC(=O)N(C)[C@H]1c1ccc(F)c(F)c1 ZINC000494245541 561465576 /nfs/dbraw/zinc/46/55/76/561465576.db2.gz RZQVSFXAISAQLV-LPHOPBHVSA-N 1 0 363.408 2.027 20 30 FEEDRO C=CCN(CC=C)C(=O)C[NH2+][C@@H]1CC(=O)N(C)[C@H]1c1ccc(F)c(F)c1 ZINC000494245540 561465590 /nfs/dbraw/zinc/46/55/90/561465590.db2.gz RZQVSFXAISAQLV-APWZRJJASA-N 1 0 363.408 2.027 20 30 FEEDRO CCOc1ccc(N(CCC#N)C(=O)C[NH2+][C@@H]2CCO[C@@H]2C2CC2)cc1 ZINC000494464344 561470258 /nfs/dbraw/zinc/47/02/58/561470258.db2.gz QKKJBYQKNIRKLH-UYAOXDASSA-N 1 0 357.454 2.489 20 30 FEEDRO C=CCN(CC=C)C(=O)C[N@H+]1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000272594674 550459914 /nfs/dbraw/zinc/45/99/14/550459914.db2.gz XRHVOKUKSFLCKA-HOTGVXAUSA-N 1 0 351.491 2.422 20 30 FEEDRO C#CCC[NH+]1CCN(C[C@H](O)COc2ccccc2C(F)(F)F)CC1 ZINC000273152157 550487440 /nfs/dbraw/zinc/48/74/40/550487440.db2.gz MCZIQXNSUBFLST-HNNXBMFYSA-N 1 0 356.388 2.086 20 30 FEEDRO COc1ccc(CNC(=[NH2+])NC[C@@H](O)CCc2ccccc2)cc1OC ZINC000273340695 550494942 /nfs/dbraw/zinc/49/49/42/550494942.db2.gz NAZHIQLXLFWAEA-KRWDZBQOSA-N 1 0 357.454 2.102 20 30 FEEDRO C=CC[N@@H+](Cc1ccc(OCC(=O)N2CCOCC2)c(OC)c1)C1CC1 ZINC000273540493 550502225 /nfs/dbraw/zinc/50/22/25/550502225.db2.gz WXGGFMVBVJNYQN-UHFFFAOYSA-N 1 0 360.454 2.083 20 30 FEEDRO C=C(C)C[C@H](C)C(=O)Nc1cccc(S(=O)(=O)NCC[NH+](C)C)c1 ZINC000274346004 550533726 /nfs/dbraw/zinc/53/37/26/550533726.db2.gz JKIDXCOFTZIZBO-AWEZNQCLSA-N 1 0 353.488 2.067 20 30 FEEDRO COC(=O)COc1ccc([C@H](C)[NH2+]CC(=O)NC2(C#N)CCCCC2)cc1 ZINC000274428679 550537349 /nfs/dbraw/zinc/53/73/49/550537349.db2.gz GIDLJHJRXLVCOR-HNNXBMFYSA-N 1 0 373.453 2.232 20 30 FEEDRO C=CCC[C@H](O)C[N@@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000274783682 550554119 /nfs/dbraw/zinc/55/41/19/550554119.db2.gz AJZUXPLAXHUVLN-HNNXBMFYSA-N 1 0 359.430 2.310 20 30 FEEDRO COCCCN(CCO)CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1 ZINC000275413146 550572116 /nfs/dbraw/zinc/57/21/16/550572116.db2.gz GOSMAXQQCMUUBF-UHFFFAOYSA-N 1 0 367.877 2.226 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@H]1CCO[C@@H]1c1cnn(C)c1)C(C)C ZINC000275453267 550572174 /nfs/dbraw/zinc/57/21/74/550572174.db2.gz GWMXMMZOHSURTL-GBESFXJTSA-N 1 0 360.502 2.313 20 30 FEEDRO C=C(C)COc1cccc(NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C)c1 ZINC000275764488 550574317 /nfs/dbraw/zinc/57/43/17/550574317.db2.gz CSZREYRCPAFAQG-UHFFFAOYSA-N 1 0 372.469 2.274 20 30 FEEDRO C[NH+](C)C1(CNC(=O)C(=O)Nc2ccccc2SCCC#N)CCC1 ZINC000275930398 550575198 /nfs/dbraw/zinc/57/51/98/550575198.db2.gz YCJWQLNNGZMEEA-UHFFFAOYSA-N 1 0 360.483 2.231 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1ccc(OCC2CC2)cc1 ZINC000275900231 550575222 /nfs/dbraw/zinc/57/52/22/550575222.db2.gz QUPGLSGOXFCHKQ-UHFFFAOYSA-N 1 0 372.469 2.108 20 30 FEEDRO C=CCN(CC=C)C(=O)[C@H](C)N[C@@H]1CC[N@@H+](CCCOCC)C[C@H]1C ZINC000276242079 550577571 /nfs/dbraw/zinc/57/75/71/550577571.db2.gz OPYNXHFSKHAKFG-CEXWTWQISA-N 1 0 351.535 2.302 20 30 FEEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000276667511 550583356 /nfs/dbraw/zinc/58/33/56/550583356.db2.gz CSNULWNMOQQPGJ-UHFFFAOYSA-N 1 0 358.486 2.447 20 30 FEEDRO CCN(C[C@H](C)C#N)C(=O)C[N@H+](C[C@@H](O)COc1ccccc1)C(C)C ZINC000277716369 550705461 /nfs/dbraw/zinc/70/54/61/550705461.db2.gz FQBWXVLFBCVGGO-QZTJIDSGSA-N 1 0 361.486 2.145 20 30 FEEDRO C=CCNC(=O)C[NH2+]C1(c2cccc(OC(F)(F)F)c2)CCOCC1 ZINC000278321763 550772759 /nfs/dbraw/zinc/77/27/59/550772759.db2.gz KNOOJKORKCPPGW-UHFFFAOYSA-N 1 0 358.360 2.483 20 30 FEEDRO CCC[C@H]1CN(C(=O)c2cc(C#N)cc(N(C)C)c2)CC[N@@H+]1CCOC ZINC000495131562 561482881 /nfs/dbraw/zinc/48/28/81/561482881.db2.gz ONIRFKJESDSXRF-SFHVURJKSA-N 1 0 358.486 2.197 20 30 FEEDRO N#C[C@H]1CC[C@H]([NH+]2CCC(NS(=O)(=O)c3ccc(F)cc3)CC2)C1 ZINC000278618861 550804722 /nfs/dbraw/zinc/80/47/22/550804722.db2.gz NEPTYODKYQASOJ-BBRMVZONSA-N 1 0 351.447 2.261 20 30 FEEDRO C[C@H](C(=O)Nc1cccc(C#N)c1)N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000278658746 550808922 /nfs/dbraw/zinc/80/89/22/550808922.db2.gz NAOGVPADJMANMG-HZPDHXFCSA-N 1 0 356.470 2.070 20 30 FEEDRO CC(C)(C#N)c1ccccc1C[N@@H+]1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000278939473 550838209 /nfs/dbraw/zinc/83/82/09/550838209.db2.gz UGSDXJNHAHCVFJ-QGZVFWFLSA-N 1 0 361.511 2.488 20 30 FEEDRO COC[C@H]([NH2+][C@H](C)C(=O)N(CCC#N)c1ccc(C)cc1)[C@@H]1CCCO1 ZINC000279021442 550847773 /nfs/dbraw/zinc/84/77/73/550847773.db2.gz GUOIEAXDSNEFQD-NEWSRXKRSA-N 1 0 359.470 2.414 20 30 FEEDRO CC(C)[C@H]([NH2+]C[C@@H](O)COc1ccc(C#N)cc1)c1nnc2ccccn21 ZINC000495390891 561487359 /nfs/dbraw/zinc/48/73/59/561487359.db2.gz JITXLFIWIJESSY-APWZRJJASA-N 1 0 365.437 2.328 20 30 FEEDRO C[NH+](C)CCNC(=O)C1CCN(C(=O)c2ccc(C(C)(C)C#N)cc2)CC1 ZINC000279731221 550922516 /nfs/dbraw/zinc/92/25/16/550922516.db2.gz CIKXKSRVQXFBMH-UHFFFAOYSA-N 1 0 370.497 2.018 20 30 FEEDRO COC(=O)C1CC[NH+](CCCNC(=O)c2ccc(C(C)(C)C#N)cc2)CC1 ZINC000280446353 550994894 /nfs/dbraw/zinc/99/48/94/550994894.db2.gz YNEQMDHEGMSSNH-UHFFFAOYSA-N 1 0 371.481 2.493 20 30 FEEDRO C=CCN1CC[C@H]([NH2+][C@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)c(F)c2)C1=O ZINC000280930186 551046694 /nfs/dbraw/zinc/04/66/94/551046694.db2.gz DVXYUGXASUCNQA-YQQAZPJKSA-N 1 0 365.836 2.127 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000281162851 551069719 /nfs/dbraw/zinc/06/97/19/551069719.db2.gz ZVFNKKJGEJZBOC-SXLOBPIMSA-N 1 0 373.497 2.034 20 30 FEEDRO C#C[C@H](NC(=O)C(=O)Nc1ccc(OCC[NH+](CC)CC)cc1)C(C)C ZINC000281578464 551115557 /nfs/dbraw/zinc/11/55/57/551115557.db2.gz QLEFUBMENLPVTN-SFHVURJKSA-N 1 0 359.470 2.120 20 30 FEEDRO COc1cc(C[NH2+]Cc2cccc(OCC(=O)N(C)C)c2)ccc1C#N ZINC000281626841 551122404 /nfs/dbraw/zinc/12/24/04/551122404.db2.gz HWQXMAYYJKLGKA-UHFFFAOYSA-N 1 0 353.422 2.324 20 30 FEEDRO CCC[C@@H]1CN(C(=O)[C@H](C#N)Cc2ccc(C#N)cc2)CC[N@@H+]1CCOC ZINC000281644682 551124859 /nfs/dbraw/zinc/12/48/59/551124859.db2.gz RIGAZHUZNKDLMC-VQTJNVASSA-N 1 0 368.481 2.200 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000281857794 551149404 /nfs/dbraw/zinc/14/94/04/551149404.db2.gz RQUGYICTMNHZAW-LPHOPBHVSA-N 1 0 358.486 2.326 20 30 FEEDRO C=CCN1CC[C@H]([N@H+](C)C[C@H](O)COc2ccccc2C(F)(F)F)C1=O ZINC000281869032 551150982 /nfs/dbraw/zinc/15/09/82/551150982.db2.gz BZQLRAYHGIMDBB-ZFWWWQNUSA-N 1 0 372.387 2.164 20 30 FEEDRO C=CCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC000282338320 551213728 /nfs/dbraw/zinc/21/37/28/551213728.db2.gz RKKZBWIGFDFSLF-GOSISDBHSA-N 1 0 371.533 2.494 20 30 FEEDRO N#CCCN(CCC#N)C(=O)C[NH2+][C@]1(Cc2ccc(Cl)cc2)CCOC1 ZINC000282489971 551236437 /nfs/dbraw/zinc/23/64/37/551236437.db2.gz HQPXDNAEIFKOOS-IBGZPJMESA-N 1 0 374.872 2.287 20 30 FEEDRO N#CCOc1cccc(NC(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000282567164 551247155 /nfs/dbraw/zinc/24/71/55/551247155.db2.gz TUMFYKBFCLPNQO-INIZCTEOSA-N 1 0 358.442 2.165 20 30 FEEDRO COc1cc(C[NH2+]CCS(=O)(=O)CCc2ccccc2)ccc1C#N ZINC000282641936 551255092 /nfs/dbraw/zinc/25/50/92/551255092.db2.gz KMQHQWXFAFXIHV-UHFFFAOYSA-N 1 0 358.463 2.314 20 30 FEEDRO C[C@@H](CC#N)N(C)S(=O)(=O)NCc1ccc(N2CCCCCC2)nc1 ZINC000282893206 551282603 /nfs/dbraw/zinc/28/26/03/551282603.db2.gz DVDPSMXALALFSF-HNNXBMFYSA-N 1 0 365.503 2.030 20 30 FEEDRO CN1CCN(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)C[C@H]1C#N ZINC000282895315 551282689 /nfs/dbraw/zinc/28/26/89/551282689.db2.gz XOXNMTOBTNPTPD-RTBURBONSA-N 1 0 369.513 2.136 20 30 FEEDRO C=CCSCCNC(=O)C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000283269213 551339244 /nfs/dbraw/zinc/33/92/44/551339244.db2.gz CFJZFSJLRAIHDU-AWEZNQCLSA-N 1 0 367.540 2.037 20 30 FEEDRO C#Cc1cc(F)c(NC(=O)C(=O)N2CC[C@H](C[N@@H+](C)CCC)C2)c(F)c1 ZINC000283319102 551347123 /nfs/dbraw/zinc/34/71/23/551347123.db2.gz QEABAVOHFFBDDM-CQSZACIVSA-N 1 0 363.408 2.075 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC(c3ccc(C)c(C)c3)=NO2)CC1 ZINC000283597933 551394036 /nfs/dbraw/zinc/39/40/36/551394036.db2.gz QDLVCVOBAJGYKR-IBGZPJMESA-N 1 0 353.466 2.258 20 30 FEEDRO CN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000283641949 551401752 /nfs/dbraw/zinc/40/17/52/551401752.db2.gz ARMQANYJLVIHED-UHFFFAOYSA-N 1 0 370.497 2.287 20 30 FEEDRO C=C(C)Cn1c(-c2cnn(C)c2)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC000283698570 551411602 /nfs/dbraw/zinc/41/16/02/551411602.db2.gz UYJAXSQQVYNIDS-UHFFFAOYSA-N 1 0 355.490 2.319 20 30 FEEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000283878618 551442743 /nfs/dbraw/zinc/44/27/43/551442743.db2.gz CMYDPUOGTBNOCR-UHFFFAOYSA-N 1 0 368.481 2.063 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H](C)c2cccc(OC(C)C)c2)CC1 ZINC000284037238 551472368 /nfs/dbraw/zinc/47/23/68/551472368.db2.gz JMBCHZVRGQRKRC-MRXNPFEDSA-N 1 0 373.497 2.418 20 30 FEEDRO C[C@H]1CCCC[C@H]1NC(=S)C(C(=O)c1cnn(C)n1)[n+]1ccccc1 ZINC000284051362 551475100 /nfs/dbraw/zinc/47/51/00/551475100.db2.gz JGFZYUCBOYKEPP-UONOGXRCSA-O 1 0 358.491 2.210 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N(C)[C@@H](C)c1ccncc1)C(C)C ZINC000284111731 551485572 /nfs/dbraw/zinc/48/55/72/551485572.db2.gz QGTRWTCTVQATBT-HKUYNNGSSA-N 1 0 372.513 2.416 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)NCC2(c3ccccc3)CCCC2)CC1 ZINC000284255896 551508358 /nfs/dbraw/zinc/50/83/58/551508358.db2.gz IKDWWRHADBBANP-UHFFFAOYSA-N 1 0 369.509 2.381 20 30 FEEDRO C[C@@H](NC(=O)C(=O)NC[C@@H](c1cccs1)[NH+](C)C)c1ccc(C#N)cc1 ZINC000284398715 551540720 /nfs/dbraw/zinc/54/07/20/551540720.db2.gz MZXXQIXRRIVLMG-CJNGLKHVSA-N 1 0 370.478 2.216 20 30 FEEDRO C[N@@H+]1CC[C@H]2OCCN(Cc3cn(CCC#N)nc3-c3ccccc3)[C@H]2C1 ZINC000284459111 551553431 /nfs/dbraw/zinc/55/34/31/551553431.db2.gz AHKHPRQSWIXUIP-VQTJNVASSA-N 1 0 365.481 2.369 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)NCCCO[C@@H](C)c2ccccc2)CC1 ZINC000284600332 551587328 /nfs/dbraw/zinc/58/73/28/551587328.db2.gz GRKNPCIVKPGWIF-KRWDZBQOSA-N 1 0 373.497 2.037 20 30 FEEDRO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@H](C)c1ccc(S(=O)(=O)CC)cc1 ZINC000284649565 551598754 /nfs/dbraw/zinc/59/87/54/551598754.db2.gz FCECCTACPFQHBL-LSDHHAIUSA-N 1 0 365.499 2.139 20 30 FEEDRO CC[N@@H+]1C[C@H](C)N(C(=O)[C@@H]2CCCN(c3nc(C)ccc3C#N)C2)C[C@@H]1C ZINC000498572149 561528978 /nfs/dbraw/zinc/52/89/78/561528978.db2.gz OAAUIXURUMVZAU-JENIJYKNSA-N 1 0 369.513 2.419 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)[C@@](C)(O)CSc2cccc(F)c2)CC1 ZINC000285419785 551753598 /nfs/dbraw/zinc/75/35/98/551753598.db2.gz QEPXYNNRENTYTL-SFHVURJKSA-N 1 0 352.475 2.435 20 30 FEEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCCC1CC[NH+](C)CC1 ZINC000285972577 551833668 /nfs/dbraw/zinc/83/36/68/551833668.db2.gz OHLMHNKLTFIPPP-UHFFFAOYSA-N 1 0 370.497 2.145 20 30 FEEDRO C[C@H]([NH2+]C1CCN(c2ccc(C#N)cc2)CC1)C(=O)NCc1ccco1 ZINC000286237453 551864360 /nfs/dbraw/zinc/86/43/60/551864360.db2.gz TVGNSARZOCURPA-HNNXBMFYSA-N 1 0 352.438 2.415 20 30 FEEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000286387835 551881845 /nfs/dbraw/zinc/88/18/45/551881845.db2.gz YQPHCQGUAXUVMY-XYPWUTKMSA-N 1 0 356.470 2.292 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N2C[C@H](c3ccccc3)C[C@@H]2C)CC1 ZINC000286422458 551884716 /nfs/dbraw/zinc/88/47/16/551884716.db2.gz FWZJCZCMZBGQLU-FUHWJXTLSA-N 1 0 355.482 2.158 20 30 FEEDRO C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)CC1 ZINC000286505427 551893915 /nfs/dbraw/zinc/89/39/15/551893915.db2.gz AZIGDFAUNTUORO-IAGOWNOFSA-N 1 0 358.461 2.466 20 30 FEEDRO COCC[NH+](CCOC)C1CCN(c2c(F)cc(C#N)cc2F)CC1 ZINC000286522984 551895845 /nfs/dbraw/zinc/89/58/45/551895845.db2.gz XYVUMSCKFUTJIF-UHFFFAOYSA-N 1 0 353.413 2.400 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(C)Cc2ccc(OC)c(C)c2)CC1 ZINC000286619412 551906887 /nfs/dbraw/zinc/90/68/87/551906887.db2.gz LVPAJZPTWHCAAF-UHFFFAOYSA-N 1 0 373.497 2.119 20 30 FEEDRO C#Cc1cccc(NC(=O)N2CCC([NH+](CCOC)CCOC)CC2)c1 ZINC000287151617 551970044 /nfs/dbraw/zinc/97/00/44/551970044.db2.gz STDILGUAZLXMGW-UHFFFAOYSA-N 1 0 359.470 2.259 20 30 FEEDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3cc(C#N)ccn3)cc2F)CC1 ZINC000287683679 552034218 /nfs/dbraw/zinc/03/42/18/552034218.db2.gz SIHOSUGNTCOCLD-UHFFFAOYSA-N 1 0 367.428 2.164 20 30 FEEDRO CCN(CCC#N)S(=O)(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000499497358 561552360 /nfs/dbraw/zinc/55/23/60/561552360.db2.gz YCFJAPYKSJSZNX-SFHVURJKSA-N 1 0 364.515 2.111 20 30 FEEDRO C#CCN(Cc1ccccc1)C(=O)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000288156691 552101615 /nfs/dbraw/zinc/10/16/15/552101615.db2.gz OHFCZAYUMUYFDR-UHFFFAOYSA-N 1 0 363.461 2.391 20 30 FEEDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)C(=O)Nc1ccc(C#N)cc1Cl ZINC000288312194 552131020 /nfs/dbraw/zinc/13/10/20/552131020.db2.gz WYENTHFHBDLSLO-MLGOLLRUSA-N 1 0 360.845 2.235 20 30 FEEDRO CN(CCC[N@H+](C)Cc1ccco1)C(=O)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000288394140 552146053 /nfs/dbraw/zinc/14/60/53/552146053.db2.gz KPIRRHIJDYWEDM-UHFFFAOYSA-N 1 0 372.400 2.209 20 30 FEEDRO C=C(C)COc1cc(C[NH+]2CCC3(CC2)NC(=O)N(C)C3=O)ccc1OC ZINC000289381322 552311459 /nfs/dbraw/zinc/31/14/59/552311459.db2.gz CLSCNLPPLXPYIT-UHFFFAOYSA-N 1 0 373.453 2.166 20 30 FEEDRO O=c1nc([C@H]2CCCN(CC#Cc3ccc(OC(F)(F)F)cc3)C2)[nH][nH]1 ZINC000289458440 552324689 /nfs/dbraw/zinc/32/46/89/552324689.db2.gz PVGCTHCWNAKWBX-ZDUSSCGKSA-N 1 0 366.343 2.228 20 30 FEEDRO N#Cc1cccc(OCC[N@H+]2CCC[C@@H](CNC(=O)C(F)(F)F)C2)c1 ZINC000289472478 552327110 /nfs/dbraw/zinc/32/71/10/552327110.db2.gz NGVUYQJKDKUJSO-AWEZNQCLSA-N 1 0 355.360 2.328 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@H](Cc2ccccc2)C2CC2)nc1 ZINC000289741786 552370961 /nfs/dbraw/zinc/37/09/61/552370961.db2.gz HBNSCNWNZWIVSN-GOSISDBHSA-N 1 0 355.463 2.338 20 30 FEEDRO C=CCn1c(C(=O)N2CCCC2)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC000289844451 552388017 /nfs/dbraw/zinc/38/80/17/552388017.db2.gz XNMBGCRTWGINHE-UHFFFAOYSA-N 1 0 372.517 2.155 20 30 FEEDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1ccccc1O[C@H](C)C#N ZINC000290099605 552427201 /nfs/dbraw/zinc/42/72/01/552427201.db2.gz QHBLISDHOJDMJX-HUUCEWRRSA-N 1 0 360.458 2.153 20 30 FEEDRO C#Cc1ccccc1CC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000290288102 552454797 /nfs/dbraw/zinc/45/47/97/552454797.db2.gz ASIZVHQHBSUVLA-FCHUYYIVSA-N 1 0 362.473 2.210 20 30 FEEDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)Nc1ccc(C#N)c(F)c1 ZINC000290323818 552460339 /nfs/dbraw/zinc/46/03/39/552460339.db2.gz VXPBJZFHNUWCED-MGPQQGTHSA-N 1 0 360.433 2.118 20 30 FEEDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)N1CCN(c2cc(C#N)ccn2)CC1 ZINC000500824974 561583507 /nfs/dbraw/zinc/58/35/07/561583507.db2.gz DSRSQWPYMIJRLL-SFHVURJKSA-N 1 0 370.501 2.049 20 30 FEEDRO C#CCC(CC#C)C(=O)N1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000290604556 552505693 /nfs/dbraw/zinc/50/56/93/552505693.db2.gz RLAOJOLNDBXVGE-JOCHJYFZSA-N 1 0 363.505 2.068 20 30 FEEDRO C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CCC(F)(F)[C@H](CO)C2)c(OC)c1 ZINC000291777280 552660806 /nfs/dbraw/zinc/66/08/06/552660806.db2.gz MADLDYICQQIURR-HOTGVXAUSA-N 1 0 371.424 2.113 20 30 FEEDRO C=CCCCS(=O)(=O)Nc1ccc(C(=O)NCC[NH+](CC)CC)cc1 ZINC000291797492 552662496 /nfs/dbraw/zinc/66/24/96/552662496.db2.gz AWGVRETZMOOQEU-UHFFFAOYSA-N 1 0 367.515 2.466 20 30 FEEDRO C=C(CNC(=O)CC[NH+]1CCN(c2ccccn2)CC1)c1ccccc1 ZINC000292016978 552685144 /nfs/dbraw/zinc/68/51/44/552685144.db2.gz ZXCHQMRTBWPFRZ-UHFFFAOYSA-N 1 0 350.466 2.423 20 30 FEEDRO C=CCNC(=O)c1ccc(N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3CCOC)nc1 ZINC000292821504 552761526 /nfs/dbraw/zinc/76/15/26/552761526.db2.gz OYQPWPNRGCCUGX-JWTNVVGKSA-N 1 0 358.486 2.075 20 30 FEEDRO C=CCC(C)(C)C(=O)Nc1ccc(C(=O)NCCN2CCOCC2)cc1 ZINC000292975232 552776683 /nfs/dbraw/zinc/77/66/83/552776683.db2.gz HCYYDXSYYOBFOS-UHFFFAOYSA-N 1 0 359.470 2.289 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(-c2csc(C)n2)cc1 ZINC000293518727 552831926 /nfs/dbraw/zinc/83/19/26/552831926.db2.gz YRTVVGKIQQQQLB-UHFFFAOYSA-N 1 0 370.478 2.128 20 30 FEEDRO CCOc1ccc(C#N)cc1NC(=O)C(=O)NCCCCC[NH+]1CCCC1 ZINC000293652931 552844318 /nfs/dbraw/zinc/84/43/18/552844318.db2.gz ILORTYVZAVDXDA-UHFFFAOYSA-N 1 0 372.469 2.278 20 30 FEEDRO C#CC[N@@H+](C)CCCNC(=O)[C@H](NC(=O)c1ccccc1Cl)C(C)C ZINC000294042432 552877437 /nfs/dbraw/zinc/87/74/37/552877437.db2.gz SRWHFFDZEIRQAN-QGZVFWFLSA-N 1 0 363.889 2.166 20 30 FEEDRO C[C@@H](CNS(=O)(=O)Cc1ccc(F)cc1C#N)[NH+]1CCC(C)CC1 ZINC000294273649 552893020 /nfs/dbraw/zinc/89/30/20/552893020.db2.gz GDOFOJHUUWUHPP-AWEZNQCLSA-N 1 0 353.463 2.237 20 30 FEEDRO C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1CC(=O)N(CCC#N)CCC#N ZINC000501788086 561605584 /nfs/dbraw/zinc/60/55/84/561605584.db2.gz DAMIXEACIZKZGU-RBUKOAKNSA-N 1 0 367.497 2.237 20 30 FEEDRO C=C(C)COc1cc(C[NH2+][C@H](CC)CNS(C)(=O)=O)ccc1OC ZINC000294935743 552945669 /nfs/dbraw/zinc/94/56/69/552945669.db2.gz BWGSBGBVYADNQW-OAHLLOKOSA-N 1 0 356.488 2.068 20 30 FEEDRO N#CCCn1cc(C[NH2+][C@@H]2CCCN(CCCO)C2)c(-c2ccccc2)n1 ZINC000295149494 552963685 /nfs/dbraw/zinc/96/36/85/552963685.db2.gz QZHJBSMIHLBNDN-HXUWFJFHSA-N 1 0 367.497 2.400 20 30 FEEDRO N#Cc1ccc(C[NH2+]C[C@@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)cc1 ZINC000502035513 561610317 /nfs/dbraw/zinc/61/03/17/561610317.db2.gz XCBFZWJROUVXSN-LEWJYISDSA-N 1 0 360.461 2.247 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)NCc1nc(-c2cccc(Cl)c2)no1 ZINC000296261203 553130985 /nfs/dbraw/zinc/13/09/85/553130985.db2.gz CSAKUAMVFIXXJO-UHFFFAOYSA-N 1 0 361.833 2.144 20 30 FEEDRO C#CC[N@@H+](C)CCCNC(=O)N[C@H](C)c1cccc(N2CCCC2=O)c1 ZINC000296420903 553156910 /nfs/dbraw/zinc/15/69/10/553156910.db2.gz RYOVKJKMCWYUME-MRXNPFEDSA-N 1 0 356.470 2.129 20 30 FEEDRO C=CCOc1ccc(/C=C/C(=O)N[C@@H]2CCC[N@H+](CCCO)C2)cc1OC ZINC000296499435 553170445 /nfs/dbraw/zinc/17/04/45/553170445.db2.gz SWFYNLSQYIAQSU-XSFOEPMVSA-N 1 0 374.481 2.236 20 30 FEEDRO N#Cc1cnc2ccccc2c1N1CC[NH+](C[C@H]2CCNC(=O)CC2)CC1 ZINC000296987745 553239152 /nfs/dbraw/zinc/23/91/52/553239152.db2.gz FBDZWKAFYJZJNL-MRXNPFEDSA-N 1 0 363.465 2.145 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)N1CCC(O)(Cc2cccc(C)c2)CC1 ZINC000297291590 553274371 /nfs/dbraw/zinc/27/43/71/553274371.db2.gz HCDAYOAWSKIVEA-UHFFFAOYSA-N 1 0 357.498 2.029 20 30 FEEDRO C#CCOc1ccc(CNC(=O)N2CCC(OCCC[NH+](C)C)CC2)cc1 ZINC000297461718 553295648 /nfs/dbraw/zinc/29/56/48/553295648.db2.gz KENSCGSUNZIMLB-UHFFFAOYSA-N 1 0 373.497 2.341 20 30 FEEDRO C=CCCN(C)C(=O)C(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000297618277 553316418 /nfs/dbraw/zinc/31/64/18/553316418.db2.gz BUKBBHFAOVWCJN-UHFFFAOYSA-N 1 0 358.486 2.181 20 30 FEEDRO COC(=O)[C@]1(C)C[N@@H+]([C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C[C@H]1C ZINC000503241541 561637836 /nfs/dbraw/zinc/63/78/36/561637836.db2.gz MMTTZPQRPZLJSR-WEMLCZSRSA-N 1 0 363.502 2.437 20 30 FEEDRO CC(C)(C#N)c1ccc(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000298590380 553445641 /nfs/dbraw/zinc/44/56/41/553445641.db2.gz IHNIVTKBUVGBLZ-DLBZAZTESA-N 1 0 354.454 2.169 20 30 FEEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000299178387 553525836 /nfs/dbraw/zinc/52/58/36/553525836.db2.gz PHCLSAWMDCFXFH-UHFFFAOYSA-N 1 0 368.481 2.016 20 30 FEEDRO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](C)[C@H](C)c1ccc(-n2cncn2)cc1 ZINC000299298229 553544355 /nfs/dbraw/zinc/54/43/55/553544355.db2.gz ACQWAOMZEQACCT-DNVCBOLYSA-N 1 0 354.458 2.315 20 30 FEEDRO N#Cc1ccc(NC(=O)CC[N@@H+]2CC[C@H](N3CCCC3=O)C2)cc1Cl ZINC000299525072 553575718 /nfs/dbraw/zinc/57/57/18/553575718.db2.gz DDUWRJSNGYTHDG-HNNXBMFYSA-N 1 0 360.845 2.237 20 30 FEEDRO C[N@H+](CCN1CCN(c2nc3ccccn3c2C#N)CC1)Cc1ccccc1 ZINC000302096903 553704096 /nfs/dbraw/zinc/70/40/96/553704096.db2.gz OKGDJUKOKGMTCZ-UHFFFAOYSA-N 1 0 374.492 2.460 20 30 FEEDRO COc1ccc(NC(=[NH2+])NCc2ccc(-n3ccnc3)nc2)cc1OC ZINC000303787846 553746116 /nfs/dbraw/zinc/74/61/16/553746116.db2.gz SYKPRUPJAUAMET-UHFFFAOYSA-N 1 0 352.398 2.211 20 30 FEEDRO N#Cc1cnc(N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)c2sccc21 ZINC000603421771 553784185 /nfs/dbraw/zinc/78/41/85/553784185.db2.gz BXWUJTYXQPZFGJ-MRXNPFEDSA-N 1 0 371.510 2.376 20 30 FEEDRO C[N@@H+]1CCN(CCNC(=O)c2csc([C@@H]3CCCO3)n2)CC1(C)C ZINC000328718273 553811806 /nfs/dbraw/zinc/81/18/06/553811806.db2.gz PSUSCCJZXAXAAQ-AWEZNQCLSA-N 1 0 352.504 2.325 20 30 FEEDRO C=CCN1CC[C@H]([N@@H+]2C[C@H]3CCC[C@@]3(c3nc(CC4CC4)no3)C2)C1=O ZINC000328779013 553821173 /nfs/dbraw/zinc/82/11/73/553821173.db2.gz IUIMAVHPHBNTBQ-GQIGUUNPSA-N 1 0 356.470 2.163 20 30 FEEDRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)N[C@@H]1CCCC12CCOCC2 ZINC000328823835 553828402 /nfs/dbraw/zinc/82/84/02/553828402.db2.gz RXDNXQYAQBQYEZ-DLBZAZTESA-N 1 0 353.507 2.292 20 30 FEEDRO C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)CN1CC[C@H](N2CCCC2=O)C1 ZINC000328829175 553828907 /nfs/dbraw/zinc/82/89/07/553828907.db2.gz JEBDGHWUQCKSTD-ILXRZTDVSA-N 1 0 350.463 2.132 20 30 FEEDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCC[C@@H]1[C@@H]1COCC[C@@]1(C)O ZINC000328935245 553848521 /nfs/dbraw/zinc/84/85/21/553848521.db2.gz AHEXUIMHTLVRGG-SFNKJDCFSA-N 1 0 353.507 2.027 20 30 FEEDRO C[C@H](NC(=O)C1(S(C)(=O)=O)CCOCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000328946281 553851027 /nfs/dbraw/zinc/85/10/27/553851027.db2.gz GNAGONPWUQLLSJ-GJZGRUSLSA-N 1 0 372.531 2.190 20 30 FEEDRO C[C@@H](NC(=O)C1CCCCC1)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000328949271 553851707 /nfs/dbraw/zinc/85/17/07/553851707.db2.gz WMJVZDAPTDWSFM-MRXNPFEDSA-N 1 0 365.518 2.483 20 30 FEEDRO C[NH+]1CCN(c2ccc(NC(=O)Cc3c(F)cccc3C#N)cn2)CC1 ZINC000505966869 561686330 /nfs/dbraw/zinc/68/63/30/561686330.db2.gz WQDDQTRHNVIGFU-UHFFFAOYSA-N 1 0 353.401 2.025 20 30 FEEDRO C[C@H](CNC(=O)N1CCC[C@@H]1[C@@H]1CCCC[C@@]1(C)O)CN1CCOCC1 ZINC000328977992 553857115 /nfs/dbraw/zinc/85/71/15/553857115.db2.gz DNAHSGYVAZIZTN-AJYBTWMASA-N 1 0 367.534 2.274 20 30 FEEDRO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 ZINC000328997167 553861602 /nfs/dbraw/zinc/86/16/02/553861602.db2.gz KBXBCXPKMLLMTJ-SJLPKXTDSA-N 1 0 364.534 2.293 20 30 FEEDRO Cn1ccnc1[C@H]1OCC[C@@H]1NC(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000328996375 553861677 /nfs/dbraw/zinc/86/16/77/553861677.db2.gz WLWUCGUWYKUQPV-HOTGVXAUSA-N 1 0 363.506 2.408 20 30 FEEDRO CO[C@@H]1CCC[C@@H]1[C@@H]1COCCN1C(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000329023885 553866332 /nfs/dbraw/zinc/86/63/32/553866332.db2.gz IWZXNKJRJVNHHP-XWTMOSNGSA-N 1 0 353.507 2.148 20 30 FEEDRO CCc1c(NC(=O)N2CC[C@@H]3OCCN(C)[C@H]3C2)cnn1-c1ccccc1 ZINC000329041045 553869808 /nfs/dbraw/zinc/86/98/08/553869808.db2.gz OIQDUWPOSLIAQX-OALUTQOASA-N 1 0 369.469 2.385 20 30 FEEDRO COC[C@@H]1C[C@H](OC)CN1C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000329051363 553872004 /nfs/dbraw/zinc/87/20/04/553872004.db2.gz KZOHGMABZNFYHC-ROUUACIJSA-N 1 0 353.507 2.433 20 30 FEEDRO C[C@]12CCC(=O)N1[C@@H](C(=O)NCC1([NH+]3CCCC3)CCOCC1)CS2 ZINC000329074750 553875625 /nfs/dbraw/zinc/87/56/25/553875625.db2.gz ADDYXTQCYJEGTJ-PBHICJAKSA-N 1 0 367.515 2.042 20 30 FEEDRO O=C(NC1CC[NH+](Cc2ccccc2)CC1)N[C@@H]1CCO[C@@]2(CCOC2)C1 ZINC000329096520 553879612 /nfs/dbraw/zinc/87/96/12/553879612.db2.gz BUSKUFPVWHCDCV-CTNGQTDRSA-N 1 0 373.497 2.493 20 30 FEEDRO C[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)C1CCOCC1 ZINC000329111325 553882016 /nfs/dbraw/zinc/88/20/16/553882016.db2.gz KABNIYZSGZPZDB-HZTRTUMWSA-N 1 0 351.491 2.089 20 30 FEEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CC(=O)N(C3CCCCC3)C2)[C@@H](C)C1 ZINC000329131492 553885652 /nfs/dbraw/zinc/88/56/52/553885652.db2.gz AFVFRGRRBTXIPQ-JZXOWHBKSA-N 1 0 364.534 2.496 20 30 FEEDRO O=C(N[C@@H]1CCO[C@]2(CCOC2)C1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000329149641 553889695 /nfs/dbraw/zinc/88/96/95/553889695.db2.gz QUJXEVAGDYMXSD-ZHALLVOQSA-N 1 0 351.491 2.189 20 30 FEEDRO CN1CC[C@@H]([NH+]2CCC(NC(=O)c3cnc(C(C)(C)C)s3)CC2)C1=O ZINC000329151372 553890361 /nfs/dbraw/zinc/89/03/61/553890361.db2.gz AWIFKMNYRDQXGZ-CYBMUJFWSA-N 1 0 364.515 2.440 20 30 FEEDRO Cc1nn(C)c(C)c1[C@@H]1COCCN1C(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000329166201 553893634 /nfs/dbraw/zinc/89/36/34/553893634.db2.gz HTMKGRIFMZYZND-XKQJLSEDSA-N 1 0 363.506 2.053 20 30 FEEDRO CCCc1ncc(C(=O)NC2CC[NH+]([C@H]3CCN(C)C3=O)CC2)s1 ZINC000329171646 553895226 /nfs/dbraw/zinc/89/52/26/553895226.db2.gz KPVFQVKEODXBIG-ZDUSSCGKSA-N 1 0 350.488 2.095 20 30 FEEDRO Cc1noc(Cl)c1CCC(=O)NC1CC[NH+]([C@H]2CCN(C)C2=O)CC1 ZINC000329184494 553897776 /nfs/dbraw/zinc/89/77/76/553897776.db2.gz PFOBPVKPIIZSBK-AWEZNQCLSA-N 1 0 368.865 2.221 20 30 FEEDRO C[NH+](C)C1(CNC(=O)N2CC[C@@H](C(=O)N3CCCC3)C2)CCCCCC1 ZINC000329213608 553903589 /nfs/dbraw/zinc/90/35/89/553903589.db2.gz JSJWFWKIOIGAER-QGZVFWFLSA-N 1 0 364.534 2.499 20 30 FEEDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1cnn(C)c1C ZINC000329219168 553904843 /nfs/dbraw/zinc/90/48/43/553904843.db2.gz SHCQFLFVRGGMSW-HDMKZQKVSA-N 1 0 361.490 2.079 20 30 FEEDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CC[C@H](C(=O)N2CCCC2)C1 ZINC000329230593 553907025 /nfs/dbraw/zinc/90/70/25/553907025.db2.gz KDEYARHTRYZXSP-MHORFTMASA-N 1 0 364.534 2.211 20 30 FEEDRO C=CCCCCCN(C)C(=O)C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000506427847 561698627 /nfs/dbraw/zinc/69/86/27/561698627.db2.gz IVZMKKWYCPWHQH-UHFFFAOYSA-N 1 0 371.525 2.407 20 30 FEEDRO O=C(NCc1cn2cc(Cl)ccc2n1)N1CCOC[C@@H]1[C@H]1CCCO1 ZINC000329289043 553918341 /nfs/dbraw/zinc/91/83/41/553918341.db2.gz QGPKPUNSXSYGHO-HUUCEWRRSA-N 1 0 364.833 2.282 20 30 FEEDRO CC[C@@H]1CN(C(=O)N[C@@H](c2nccn2C)C2CCOCC2)CCCO1 ZINC000329319635 553924365 /nfs/dbraw/zinc/92/43/65/553924365.db2.gz IQKMBCGKKTXYTM-HZPDHXFCSA-N 1 0 350.463 2.303 20 30 FEEDRO O=C(N[C@@H]1CCN(c2ccccc2Cl)C1=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000329318652 553924861 /nfs/dbraw/zinc/92/48/61/553924861.db2.gz SXCBTEAUXDZFIF-SWLSCSKDSA-N 1 0 362.861 2.186 20 30 FEEDRO CC(C)c1nnc2n1C[C@H]([NH+]=C([O-])N1CC[C@H]([NH+]3CCCC3)[C@@H]1C)CC2 ZINC000329322880 553925186 /nfs/dbraw/zinc/92/51/86/553925186.db2.gz FOMMPSDPMXDJNE-XHSDSOJGSA-N 1 0 360.506 2.189 20 30 FEEDRO CC(C)c1nnc2n1C[C@H](NC(=O)N1CC[C@H](C3CC[NH+](C)CC3)C1)CC2 ZINC000329334283 553926881 /nfs/dbraw/zinc/92/68/81/553926881.db2.gz KRRZIKLCMAGBAE-DLBZAZTESA-N 1 0 374.533 2.294 20 30 FEEDRO CCn1cc([C@H]2OCC[C@@H]2NC(=O)N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)cn1 ZINC000329376998 553934829 /nfs/dbraw/zinc/93/48/29/553934829.db2.gz LTEMUIDEDDLWED-LEUOFYLZSA-N 1 0 361.490 2.206 20 30 FEEDRO Cc1nc([C@H]2CCCN(CC(=O)Nc3ccc4c(c3)OCCO4)C2)n[nH]1 ZINC000329411115 553941234 /nfs/dbraw/zinc/94/12/34/553941234.db2.gz BRHPROPZKAYZEJ-ZDUSSCGKSA-N 1 0 357.414 2.352 20 30 FEEDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)Nc1ccc2c(c1)C(=O)N(C)CC2 ZINC000329455198 553949977 /nfs/dbraw/zinc/94/99/77/553949977.db2.gz OCZGHAGBXFIJAG-RHSMWYFYSA-N 1 0 356.470 2.419 20 30 FEEDRO COCc1cccc2sc(=NC(=O)NC[C@@H]3CN(C)CCO3)[nH]c21 ZINC000329568323 553968740 /nfs/dbraw/zinc/96/87/40/553968740.db2.gz HZUXEIVIDBVHIB-GFCCVEGCSA-N 1 0 350.444 2.099 20 30 FEEDRO COCCn1cc2c(n1)[C@H](NC(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C)CCC2 ZINC000329582626 553972062 /nfs/dbraw/zinc/97/20/62/553972062.db2.gz QILXMJWILSJRPM-USXIJHARSA-N 1 0 363.506 2.093 20 30 FEEDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCO[C@H](C2CCCCC2)C1 ZINC000329614567 553976984 /nfs/dbraw/zinc/97/69/84/553976984.db2.gz SBNKURQCUZIRGC-MSOLQXFVSA-N 1 0 353.507 2.292 20 30 FEEDRO C[C@@H]1CN(C(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)C[C@@H](C)S1(=O)=O ZINC000329625531 553978798 /nfs/dbraw/zinc/97/87/98/553978798.db2.gz SUWZGTWWXMAWJR-INMHGKMJSA-N 1 0 371.547 2.205 20 30 FEEDRO C[NH+](C)C[C@H](NC(=O)N[C@@H]1CCC(=O)N[C@@H]1[C@@H]1CCCO1)c1ccccc1 ZINC000329629627 553979584 /nfs/dbraw/zinc/97/95/84/553979584.db2.gz VCNOZODXJMRNLD-DFEOGRTESA-N 1 0 374.485 2.459 20 30 FEEDRO CCC[NH+]1CCC(NC(=O)NC2CCN(c3nccs3)CC2)CC1 ZINC000329662260 553984765 /nfs/dbraw/zinc/98/47/65/553984765.db2.gz PGUROGXLIAYKEU-UHFFFAOYSA-N 1 0 351.520 2.490 20 30 FEEDRO C[N@@H+]1CCCN(C(=O)c2ccccc2NC(=O)[C@H]2C[C@@]23CCOC3)CC1 ZINC000329684687 553987867 /nfs/dbraw/zinc/98/78/67/553987867.db2.gz YFIMAFMFSCETQR-OXQOHEQNSA-N 1 0 357.454 2.479 20 30 FEEDRO C[C@@H]1CC(CNC(=O)NCC2([NH+]3CCCC3)CCOCC2)C[C@@H](C)O1 ZINC000329697313 553991457 /nfs/dbraw/zinc/99/14/57/553991457.db2.gz FCAKJBJSLPLVHP-HZPDHXFCSA-N 1 0 353.507 2.339 20 30 FEEDRO C[C@@H]1C[C@H](NC(=O)c2cccc(S(=O)(=O)NCC3CC3)c2)CC[N@@H+]1C ZINC000329706280 553992683 /nfs/dbraw/zinc/99/26/83/553992683.db2.gz JWIWLRCHEJANSB-CZUORRHYSA-N 1 0 365.499 2.162 20 30 FEEDRO C[C@H](NC(=O)N1CCS(=O)(=O)C(C)(C)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000329778967 554003961 /nfs/dbraw/zinc/00/39/61/554003961.db2.gz QPSJBFZMEIUJKI-LSDHHAIUSA-N 1 0 371.547 2.062 20 30 FEEDRO Cc1nc(CNC(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)sc1C ZINC000329785995 554005574 /nfs/dbraw/zinc/00/55/74/554005574.db2.gz XLVOGLJPGQMARR-CQSZACIVSA-N 1 0 352.504 2.264 20 30 FEEDRO CC(C)N1C[C@@H](NC(=O)CC[NH+]2CCN(c3ccccc3)CC2)CC1=O ZINC000329852821 554018996 /nfs/dbraw/zinc/01/89/96/554018996.db2.gz VATKWCSTVWAACM-KRWDZBQOSA-N 1 0 358.486 2.165 20 30 FEEDRO CN1CCO[C@H](C(=O)Nc2ccccc2C[N@@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000329858654 554020441 /nfs/dbraw/zinc/02/04/41/554020441.db2.gz OEIISPCUCMAKIG-WBVHZDCISA-N 1 0 360.458 2.352 20 30 FEEDRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)N[C@@H]1CCOC2(CCCCC2)C1 ZINC000329959687 554038999 /nfs/dbraw/zinc/03/89/99/554038999.db2.gz NKFQIACYUROMEP-QZTJIDSGSA-N 1 0 366.550 2.398 20 30 FEEDRO CN(Cc1ccccc1NC(=O)[C@@H]1CCCN1C)C(=O)[C@H]1CCC[N@@H+]1C ZINC000329959222 554039174 /nfs/dbraw/zinc/03/91/74/554039174.db2.gz QMKDHWJGLHBBRT-ZWKOTPCHSA-N 1 0 358.486 2.421 20 30 FEEDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N2CCO[C@](C)(c3cnn(C)c3)C2)C1 ZINC000329970248 554041444 /nfs/dbraw/zinc/04/14/44/554041444.db2.gz UXGMGIWKWIXTCR-APWZRJJASA-N 1 0 363.506 2.002 20 30 FEEDRO CC[NH+]1CCN(c2cccc(NC(=O)N3C[C@@H]4CC[C@@H](O)[C@H]4C3)c2)CC1 ZINC000329981911 554043420 /nfs/dbraw/zinc/04/34/20/554043420.db2.gz OEXNBUSYJOWZGX-ZYSHUDEJSA-N 1 0 358.486 2.077 20 30 FEEDRO CCC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(CC(=O)N2CCN(C)CC2)c1 ZINC000329985921 554044475 /nfs/dbraw/zinc/04/44/75/554044475.db2.gz RKQYHBCCAHEMHL-IBGZPJMESA-N 1 0 372.513 2.466 20 30 FEEDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N2C[C@]3(CCOC3)OC(C)(C)C2)C1 ZINC000329986410 554044735 /nfs/dbraw/zinc/04/47/35/554044735.db2.gz FFZCGEKOHIFNST-APWZRJJASA-N 1 0 353.507 2.291 20 30 FEEDRO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)Nc1cccc(CC(=O)N2CCN(C)CC2)c1 ZINC000329992966 554045741 /nfs/dbraw/zinc/04/57/41/554045741.db2.gz YBAOEFLFHAPODG-IAGOWNOFSA-N 1 0 372.513 2.464 20 30 FEEDRO CC(=O)N1CCC[C@H](CNC(=O)N2CCC[C@H]2C[NH+]2CCCCC2)C1 ZINC000329996174 554046146 /nfs/dbraw/zinc/04/61/46/554046146.db2.gz OKUDLOMMTWAAPI-MSOLQXFVSA-N 1 0 350.507 2.109 20 30 FEEDRO CN1CC[NH+](CCC(C)(C)NC(=O)CN2c3ccccc3CCC2=O)CC1 ZINC000330002120 554047569 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CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCCN(c3ccc(C)nn3)C2)C[C@@H]1C ZINC000330133100 554070812 /nfs/dbraw/zinc/07/08/12/554070812.db2.gz QWVINORXZLQDCB-KSZLIROESA-N 1 0 374.533 2.472 20 30 FEEDRO C[NH+](C)[C@]1(CNC(=O)N2CCC(NC(=O)C3CC3)CC2)CCSC1 ZINC000330175300 554078208 /nfs/dbraw/zinc/07/82/08/554078208.db2.gz ZPZQZOLQJNVWQV-KRWDZBQOSA-N 1 0 354.520 2.169 20 30 FEEDRO CO[C@@H]1CN(C(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)C[C@@H]1OC ZINC000330184354 554080070 /nfs/dbraw/zinc/08/00/70/554080070.db2.gz QOWHAPVRAAGOFB-GBESFXJTSA-N 1 0 361.486 2.392 20 30 FEEDRO NC(=O)N1CCC[C@@H](CNC(=O)CC2([NH+]3CCOCC3)CCCC2)C1 ZINC000330185363 554080483 /nfs/dbraw/zinc/08/04/83/554080483.db2.gz JCCVOCGTIRXSLO-HNNXBMFYSA-N 1 0 352.479 2.183 20 30 FEEDRO NC(=O)N1CCC[C@H](CNC(=O)CC2([NH+]3CCOCC3)CCCC2)C1 ZINC000330185364 554080662 /nfs/dbraw/zinc/08/06/62/554080662.db2.gz JCCVOCGTIRXSLO-OAHLLOKOSA-N 1 0 352.479 2.183 20 30 FEEDRO CCC1(CNC(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CCOCC1 ZINC000330206745 554084952 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AQHHRGAXJARNEA-JFIYKMOQSA-N 1 0 364.515 2.138 20 30 FEEDRO C[C@H](C#N)CN(C)S(=O)(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000330374807 554112831 /nfs/dbraw/zinc/11/28/31/554112831.db2.gz NEHGFUUUHXRGIU-MRXNPFEDSA-N 1 0 364.515 2.098 20 30 FEEDRO COC(=O)[C@]1(C)CN(C(=O)NC[C@@H]2CCC[N@H+](CC(C)C)C2)C[C@H]1C ZINC000330399181 554116246 /nfs/dbraw/zinc/11/62/46/554116246.db2.gz CSZBOJIHDHSAEP-JTDSTZFVSA-N 1 0 353.507 2.399 20 30 FEEDRO CC(C)C(=O)NC[C@@H]1CCCN(C(=O)NCC[NH+]2CCC(C)CC2)C1 ZINC000330458799 554124453 /nfs/dbraw/zinc/12/44/53/554124453.db2.gz ZEXUFICUBVVJBE-KRWDZBQOSA-N 1 0 352.523 2.117 20 30 FEEDRO CN(CC[C@H]1CCCC[N@@H+]1C)S(=O)(=O)Cc1cc(C#N)ccc1F ZINC000330558956 554137834 /nfs/dbraw/zinc/13/78/34/554137834.db2.gz HBPQGCAEEAZUES-MRXNPFEDSA-N 1 0 353.463 2.333 20 30 FEEDRO COc1cc(SC)ccc1NC(=O)N1CC[N@H+](C[C@H](C)O)C[C@H]1C ZINC000330569555 554139731 /nfs/dbraw/zinc/13/97/31/554139731.db2.gz NZHMRGOBJHETSI-OLZOCXBDSA-N 1 0 353.488 2.350 20 30 FEEDRO COc1cc(SC)ccc1NC(=O)N1CC[N@H+](C[C@H](C)O)C[C@@H]1C ZINC000330569557 554139807 /nfs/dbraw/zinc/13/98/07/554139807.db2.gz NZHMRGOBJHETSI-STQMWFEESA-N 1 0 353.488 2.350 20 30 FEEDRO CC(C)[NH+]1CCC(N(C)S(=O)(=O)Cc2cc(C#N)ccc2F)CC1 ZINC000330573951 554140309 /nfs/dbraw/zinc/14/03/09/554140309.db2.gz PILYIAPWSMNMEW-UHFFFAOYSA-N 1 0 353.463 2.332 20 30 FEEDRO CC[C@@H]1CN(C(=O)Nc2cc(OC)ccc2OC)CC[N@@H+]1C[C@@H](C)O ZINC000330652934 554150822 /nfs/dbraw/zinc/15/08/22/554150822.db2.gz NPOWOXCKLDOJSO-ZIAGYGMSSA-N 1 0 351.447 2.026 20 30 FEEDRO CS[C@@H]1CN(C(=O)Nc2cc(NC(C)=O)ccc2F)C[C@@H]1[NH+](C)C ZINC000330725897 554163660 /nfs/dbraw/zinc/16/36/60/554163660.db2.gz ZTQLTGGMCTXSQH-LSDHHAIUSA-N 1 0 354.451 2.307 20 30 FEEDRO Cc1cc(CCNC(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)cc(C)c1O ZINC000330949163 554192959 /nfs/dbraw/zinc/19/29/59/554192959.db2.gz IWMFKONKHYSPBF-INIZCTEOSA-N 1 0 363.502 2.243 20 30 FEEDRO COc1cc(NC(=O)N2CC[N@H+](C[C@H](C)O)[C@H](C)C2)ccc1OC(C)C ZINC000330975581 554196322 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CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccccc2S(C)(=O)=O)C[C@H]1C ZINC000331274625 554240126 /nfs/dbraw/zinc/24/01/26/554240126.db2.gz HXJJUJXNLPWFJP-ZIAGYGMSSA-N 1 0 353.488 2.440 20 30 FEEDRO C=CCn1c(CC2CCCC2)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000508840708 561774737 /nfs/dbraw/zinc/77/47/37/561774737.db2.gz MHPABZOCAIOJGM-SFHVURJKSA-N 1 0 359.518 2.355 20 30 FEEDRO Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N(C)CC3CC[NH+](C)CC3)C2)n1 ZINC000331659172 554303499 /nfs/dbraw/zinc/30/34/99/554303499.db2.gz XDLWWTSFHMMJCN-IBGZPJMESA-N 1 0 369.513 2.278 20 30 FEEDRO C[C@@H]1CN([C@@H](C(N)=O)c2ccc(C#N)cc2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000332394140 554438365 /nfs/dbraw/zinc/43/83/65/554438365.db2.gz NOSNSPKXXFXJLT-AYOQOUSVSA-N 1 0 355.486 2.092 20 30 FEEDRO N#Cc1ccc(N2CCN(C(=O)NC3CCC([NH3+])CC3)CC2)c(Cl)c1 ZINC000332535400 554465778 /nfs/dbraw/zinc/46/57/78/554465778.db2.gz IQIZCVLIVUQREA-UHFFFAOYSA-N 1 0 361.877 2.313 20 30 FEEDRO C=CCOC[C@H]1NC(=O)N(C[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)C1=O ZINC000348427293 554684811 /nfs/dbraw/zinc/68/48/11/554684811.db2.gz SPBOXNOHKCSVSE-MSOLQXFVSA-N 1 0 357.454 2.255 20 30 FEEDRO C=CCOC[C@H]1NC(=O)N(C2CC[NH+](Cc3ccccc3C)CC2)C1=O ZINC000348504683 554687529 /nfs/dbraw/zinc/68/75/29/554687529.db2.gz YTNVZBNQXAMWTR-GOSISDBHSA-N 1 0 357.454 2.082 20 30 FEEDRO C=CCNC(=O)Cc1noc([C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)n1 ZINC000350727131 554810182 /nfs/dbraw/zinc/81/01/82/554810182.db2.gz SESFMBSAYCVAOD-OAHLLOKOSA-N 1 0 358.417 2.433 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1c1nc(-c2ccccc2CN2CCC[C@@H]2C(N)=O)no1 ZINC000351125614 554838520 /nfs/dbraw/zinc/83/85/20/554838520.db2.gz XVDKVZZUSDHPJL-ZACQAIPSSA-N 1 0 368.437 2.245 20 30 FEEDRO CC(C)(C)n1cc(C#N)cc1NC(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000360280132 554870040 /nfs/dbraw/zinc/87/00/40/554870040.db2.gz QKBAMUGZMRZYDI-CVEARBPZSA-N 1 0 359.474 2.178 20 30 FEEDRO N#CCCN(C(=O)CN1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1)c1ccccc1 ZINC000360925874 554895722 /nfs/dbraw/zinc/89/57/22/554895722.db2.gz HQHKOEAWDBZGNQ-YZGWKJHDSA-N 1 0 352.482 2.349 20 30 FEEDRO C[C@H]1CCC[N@H+](CCNC(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)C1 ZINC000362710094 554983238 /nfs/dbraw/zinc/98/32/38/554983238.db2.gz HXHJZUFAOGDMTB-QFBILLFUSA-N 1 0 356.470 2.373 20 30 FEEDRO C#CC[C@@H](NC(=O)N1CCC[C@@H](C[NH+]2CCN(C)CC2)C1)c1ccccc1 ZINC000362729349 554984559 /nfs/dbraw/zinc/98/45/59/554984559.db2.gz XXMJWLMYTOGUIG-PZJWPPBQSA-N 1 0 368.525 2.420 20 30 FEEDRO C[C@@H](CNC(=O)N1CCO[C@H](c2cccc(C#N)c2)C1)C[NH+]1CCCC1 ZINC000363149848 555040890 /nfs/dbraw/zinc/04/08/90/555040890.db2.gz GWXVOGYZJRJUHJ-LPHOPBHVSA-N 1 0 356.470 2.373 20 30 FEEDRO C[C@H](Oc1ccccc1C#N)C(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000363204812 555052865 /nfs/dbraw/zinc/05/28/65/555052865.db2.gz IFCJFXILIMEQTM-KRWDZBQOSA-N 1 0 371.481 2.286 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)[C@@H]2COc3c(cccc3OCC)C2)CC1 ZINC000363418887 555101152 /nfs/dbraw/zinc/10/11/52/555101152.db2.gz RSKUQECRMVFYJZ-KRWDZBQOSA-N 1 0 356.466 2.240 20 30 FEEDRO C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1NC(=O)CCc1ccc(C#N)cc1 ZINC000363424113 555102004 /nfs/dbraw/zinc/10/20/04/555102004.db2.gz OSVXWEXWXJLWKZ-AHRSYUTCSA-N 1 0 355.482 2.496 20 30 FEEDRO N#Cc1ccc(N2CCC[N@@H+]([C@@H](Cc3ccc(F)cc3)C(N)=O)CC2)cc1 ZINC000363668321 555160163 /nfs/dbraw/zinc/16/01/63/555160163.db2.gz DLTJZHVLWMBFIV-FQEVSTJZSA-N 1 0 366.440 2.306 20 30 FEEDRO CCOC(=O)C1(NC(=O)c2cccc(SCC#N)c2)CC[NH+](C)CC1 ZINC000363692306 555165550 /nfs/dbraw/zinc/16/55/50/555165550.db2.gz VEBDHFVJDGQSFL-UHFFFAOYSA-N 1 0 361.467 2.060 20 30 FEEDRO C[C@@H](C#N)Oc1ccc(C[NH2+][C@H]2CCN(C(=O)c3ccncc3)C2)cc1 ZINC000363854977 555200120 /nfs/dbraw/zinc/20/01/20/555200120.db2.gz HTJIBGVLANMFHN-YJBOKZPZSA-N 1 0 350.422 2.377 20 30 FEEDRO CCOc1ccc(C#N)cc1NC(=O)N1CCC[C@@H]1C[N@@H+]1CCC[C@H]1CO ZINC000364122122 555254300 /nfs/dbraw/zinc/25/43/00/555254300.db2.gz AGBAAJIVODOZSQ-SJORKVTESA-N 1 0 372.469 2.410 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H]2CC(=O)Nc3ccccc32)CC1 ZINC000364269419 555281944 /nfs/dbraw/zinc/28/19/44/555281944.db2.gz SWIXWDBSDGZBDS-HNNXBMFYSA-N 1 0 356.470 2.452 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)NC[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)CC1 ZINC000364414430 555309210 /nfs/dbraw/zinc/30/92/10/555309210.db2.gz GGFMNIDNZYIQTI-OAHLLOKOSA-N 1 0 373.884 2.154 20 30 FEEDRO C[C@H](Oc1ccc(C#N)cc1)C(=O)N[C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000364553923 555336948 /nfs/dbraw/zinc/33/69/48/555336948.db2.gz CUVMXHFJWVZTGR-WOUAJJJCSA-N 1 0 371.481 2.331 20 30 FEEDRO C[C@H](NC(=O)N1CCN(C2CC2)[C@H](C#N)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000364681501 555373449 /nfs/dbraw/zinc/37/34/49/555373449.db2.gz IKBGSYRLHVFWIB-FRQCXROJSA-N 1 0 359.518 2.021 20 30 FEEDRO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000512512695 561907980 /nfs/dbraw/zinc/90/79/80/561907980.db2.gz YTKQFMKUQBFGRG-QGZVFWFLSA-N 1 0 362.434 2.008 20 30 FEEDRO C=CCN(CC=C)C(=O)C[NH2+][C@H]1CCN(Cc2cnc(C)s2)C[C@H]1C ZINC000364913565 555435274 /nfs/dbraw/zinc/43/52/74/555435274.db2.gz GVDUKANILBOPNN-QAPCUYQASA-N 1 0 362.543 2.452 20 30 FEEDRO C[N@@H+]1CC[C@@H](CNC(=O)N=c2ccn(CCC#N)[nH]2)[C@H]1c1cccs1 ZINC000365645498 555630620 /nfs/dbraw/zinc/63/06/20/555630620.db2.gz CIVLKJOABPGLJI-BBRMVZONSA-N 1 0 358.471 2.673 20 30 FEEDRO Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N3CCCC[C@@H]3C[NH+](C)C)C2)n1 ZINC000365755827 555660376 /nfs/dbraw/zinc/66/03/76/555660376.db2.gz ZDPJQYPTNRXLLX-RTBURBONSA-N 1 0 369.513 2.421 20 30 FEEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000513481605 561940336 /nfs/dbraw/zinc/94/03/36/561940336.db2.gz CBOFPNXNOAUGDR-INIZCTEOSA-N 1 0 372.513 2.389 20 30 FEEDRO Cc1nn(C)cc1[C@@H]1CCCN1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000366805134 555938002 /nfs/dbraw/zinc/93/80/02/555938002.db2.gz PZMSKMHWIKPEHQ-SFHVURJKSA-N 1 0 358.467 2.211 20 30 FEEDRO N#Cc1ccc(N2CC[C@@H](C(=O)N3CCC[N@@H+](C4CC4)CC3)C2)c(F)c1 ZINC000367665718 556109066 /nfs/dbraw/zinc/10/90/66/556109066.db2.gz LPQCKGDTHYFMOW-MRXNPFEDSA-N 1 0 356.445 2.220 20 30 FEEDRO N#Cc1ccc(N2CCC([NH2+]Cc3cccnc3-n3cncn3)CC2)cc1 ZINC000367751366 556130297 /nfs/dbraw/zinc/13/02/97/556130297.db2.gz DLMXMDJBEMSDJP-UHFFFAOYSA-N 1 0 359.437 2.293 20 30 FEEDRO COC(=O)[C@]12CCC[C@@H]1CN([C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N)C2 ZINC000367794134 556141089 /nfs/dbraw/zinc/14/10/89/556141089.db2.gz KRUUVWCMHFDGRT-CFZJUORYSA-N 1 0 359.426 2.370 20 30 FEEDRO C=CCN(C(=O)NCc1cncn1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000367851428 556154636 /nfs/dbraw/zinc/15/46/36/556154636.db2.gz VKBTZEGSEFIZQQ-SFHVURJKSA-N 1 0 353.470 2.392 20 30 FEEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CC[C@H](CC(N)=O)C3)sc2C1 ZINC000367987553 556188690 /nfs/dbraw/zinc/18/86/90/556188690.db2.gz FTXGFCFIOOMGTM-CHWSQXEVSA-N 1 0 374.510 2.270 20 30 FEEDRO COC(=O)C[C@@H](C)CC(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000367994470 556190389 /nfs/dbraw/zinc/19/03/89/556190389.db2.gz SBOSVWUQWDECPS-INIZCTEOSA-N 1 0 357.454 2.250 20 30 FEEDRO C=CCN=c1[nH]cc(C(=O)N2CCC([N@H+]3CCOC[C@@H]3C)CC2)s1 ZINC000622059767 556214993 /nfs/dbraw/zinc/21/49/93/556214993.db2.gz APJBVZMLMWJEGY-ZDUSSCGKSA-N 1 0 350.488 2.066 20 30 FEEDRO Cc1oc(NC(=O)CN[C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@@H]2C)c(C#N)c1C ZINC000368418865 556303862 /nfs/dbraw/zinc/30/38/62/556303862.db2.gz YZEQOJNHAWPSOL-FDQGKXFDSA-N 1 0 374.485 2.186 20 30 FEEDRO Cc1oc(NC(=O)CN[C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@@H]2C)c(C#N)c1C ZINC000368418868 556303892 /nfs/dbraw/zinc/30/38/92/556303892.db2.gz YZEQOJNHAWPSOL-QANKJYHBSA-N 1 0 374.485 2.186 20 30 FEEDRO CC(C)n1cc(CN2CCCN(C(=O)NCC3(CC#N)CC3)CC2)cn1 ZINC000368463473 556317764 /nfs/dbraw/zinc/31/77/64/556317764.db2.gz UTPVSZFETNRXPE-UHFFFAOYSA-N 1 0 358.490 2.375 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)[C@H]2C[C@@]23CCN(C(=O)OC(C)(C)C)C3)CC1 ZINC000368724131 556398139 /nfs/dbraw/zinc/39/81/39/556398139.db2.gz HZNUJGSCGZURHH-OXQOHEQNSA-N 1 0 363.502 2.400 20 30 FEEDRO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H](C(=O)N3CCCCC3)C2)cc1 ZINC000368819123 556421835 /nfs/dbraw/zinc/42/18/35/556421835.db2.gz YJADKINUSHOORB-RTBURBONSA-N 1 0 371.481 2.022 20 30 FEEDRO Cc1c(C#N)c(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)nc2ccccc12 ZINC000515594471 562016396 /nfs/dbraw/zinc/01/63/96/562016396.db2.gz FOHZUNACYGRWQU-LJQANCHMSA-N 1 0 363.465 2.158 20 30 FEEDRO Cc1cc(C)n(CC2CC[NH+](CC(=O)NCc3ccc(C#N)cc3)CC2)n1 ZINC000369041269 556485910 /nfs/dbraw/zinc/48/59/10/556485910.db2.gz KHBDTWQQCAOPMV-UHFFFAOYSA-N 1 0 365.481 2.400 20 30 FEEDRO C[C@@H]1CCC[C@@](CNC(=O)N2CCC(n3cnc(C#N)n3)CC2)([NH+](C)C)C1 ZINC000369093231 556503049 /nfs/dbraw/zinc/50/30/49/556503049.db2.gz UIZOLKMFEWBQRY-DNVCBOLYSA-N 1 0 373.505 2.007 20 30 FEEDRO C[N@@H+]1CC[C@H]2CCN(S(=O)(=O)c3ccc(C(F)(F)F)c(C#N)c3)C[C@H]21 ZINC000369116835 556508816 /nfs/dbraw/zinc/50/88/16/556508816.db2.gz OCJYRLJMVLEIBF-XHDPSFHLSA-N 1 0 373.400 2.292 20 30 FEEDRO N#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@H](N3CCCCC3=O)C2)cc1 ZINC000369274014 556559694 /nfs/dbraw/zinc/55/96/94/556559694.db2.gz LRRJZCXRXSTGKK-SFHVURJKSA-N 1 0 354.454 2.364 20 30 FEEDRO COc1ccc([C@@H]2[C@@H](CNC(=O)N3CCO[C@@H](C#N)C3)CCC[N@@H+]2C)cc1 ZINC000369399111 556590865 /nfs/dbraw/zinc/59/08/65/556590865.db2.gz ADZMNSFIFGGZBI-NZSAHSFTSA-N 1 0 372.469 2.012 20 30 FEEDRO Cn1cc([C@H]2[C@H](CNC(=O)NCc3ccc(C#N)cc3)CCC[N@@H+]2C)cn1 ZINC000369427845 556598343 /nfs/dbraw/zinc/59/83/43/556598343.db2.gz RXBOZHAZKFYVOH-PKOBYXMFSA-N 1 0 366.469 2.174 20 30 FEEDRO N#Cc1ccsc1NC(=O)CCN1CCC[N@@H+](C2CCOCC2)CC1 ZINC000369551867 556629170 /nfs/dbraw/zinc/62/91/70/556629170.db2.gz UFALHBPCNNOWTJ-UHFFFAOYSA-N 1 0 362.499 2.135 20 30 FEEDRO C=CCN(C(=O)c1ccc(OC)nn1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000369570771 556634420 /nfs/dbraw/zinc/63/44/20/556634420.db2.gz TXWDRAUZWHLAOP-QGZVFWFLSA-N 1 0 352.438 2.388 20 30 FEEDRO COc1cc(C#N)ccc1OCC[N@@H+]1CCC[C@@H](N2CCCCC2=O)C1 ZINC000369591164 556640899 /nfs/dbraw/zinc/64/08/99/556640899.db2.gz KCCOYXLFCRMMGO-QGZVFWFLSA-N 1 0 357.454 2.423 20 30 FEEDRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCC(n3cnc(C#N)n3)CC2)C1 ZINC000369609692 556646727 /nfs/dbraw/zinc/64/67/27/556646727.db2.gz RWSUUZXFIGFAGP-HNNXBMFYSA-N 1 0 373.505 2.007 20 30 FEEDRO C[N@@H+]1C[C@@H]2CN(S(=O)(=O)c3ccccc3C#N)C[C@H]2[C@H]1c1ccccc1 ZINC000369678089 556666333 /nfs/dbraw/zinc/66/63/33/556666333.db2.gz JLXYCURXVADXBE-QWFCFKBJSA-N 1 0 367.474 2.482 20 30 FEEDRO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 ZINC000370001282 556754314 /nfs/dbraw/zinc/75/43/14/556754314.db2.gz ZTONEQLVWJELIP-UKRRQHHQSA-N 1 0 368.416 2.583 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)[C@@]23CCC(=O)N2c2ccccc2S3)CC1 ZINC000370017840 556759126 /nfs/dbraw/zinc/75/91/26/556759126.db2.gz KZJXXUOAQZJYNZ-FQEVSTJZSA-N 1 0 369.490 2.219 20 30 FEEDRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2C(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000370410798 556865132 /nfs/dbraw/zinc/86/51/32/556865132.db2.gz RWICBZKEYWLNDZ-CEXWTWQISA-N 1 0 353.466 2.300 20 30 FEEDRO C=CCOc1ccccc1C(=O)N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000370422788 556868244 /nfs/dbraw/zinc/86/82/44/556868244.db2.gz IUZPRPOWLVMUKH-SFHVURJKSA-N 1 0 357.498 2.492 20 30 FEEDRO C=CCOc1ccc(C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)cc1OC ZINC000370487300 556887626 /nfs/dbraw/zinc/88/76/26/556887626.db2.gz IHHHSRDQWSOGAB-QGZVFWFLSA-N 1 0 360.454 2.243 20 30 FEEDRO C[C@@H](C#N)Oc1ccc(C[NH2+][C@@H]2CCN(c3ccccc3C(N)=O)C2)cc1 ZINC000370831446 556983362 /nfs/dbraw/zinc/98/33/62/556983362.db2.gz VAUDSPTWYIRBFT-DOTOQJQBSA-N 1 0 364.449 2.445 20 30 FEEDRO Cn1cc([C@H]2[C@@H](CNC(=O)c3ccccc3OCC#N)CCC[N@@H+]2C)cn1 ZINC000370914677 557013332 /nfs/dbraw/zinc/01/33/32/557013332.db2.gz YWOMZFWURXFYCY-DNVCBOLYSA-N 1 0 367.453 2.135 20 30 FEEDRO N#Cc1ccc(OC[C@H](O)CN2CCC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000371205439 557106999 /nfs/dbraw/zinc/10/69/99/557106999.db2.gz RVNHAJILOCGSDT-WOJBJXKFSA-N 1 0 357.498 2.496 20 30 FEEDRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2CCC(=O)Nc1sccc1C#N ZINC000371299071 557136278 /nfs/dbraw/zinc/13/62/78/557136278.db2.gz CKGFFJXJLUFBBT-OWCLPIDISA-N 1 0 362.499 2.132 20 30 FEEDRO COc1ccnc(N2CCC[N@H+](Cc3ccc(O[C@H](C)C#N)cc3)CC2)n1 ZINC000371421263 557181604 /nfs/dbraw/zinc/18/16/04/557181604.db2.gz PIQWOGPNFDXSER-MRXNPFEDSA-N 1 0 367.453 2.488 20 30 FEEDRO Cc1cccc2ncc(CN3C[C@@H](C#N)[C@@]4(C3)c3ccccc3NC4=O)n21 ZINC000371456163 557189998 /nfs/dbraw/zinc/18/99/98/557189998.db2.gz FUOVREYPPNTYBP-VFNWGFHPSA-N 1 0 357.417 2.488 20 30 FEEDRO C[N@@H+]1CC[C@@H]2CCN(S(=O)(=O)c3ccc(C#N)cc3C(F)(F)F)C[C@H]21 ZINC000371505386 557203616 /nfs/dbraw/zinc/20/36/16/557203616.db2.gz IXDNJDMMVNYEGN-TZMCWYRMSA-N 1 0 373.400 2.292 20 30 FEEDRO CS(=O)(=O)[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCCN(c2ccccc2C#N)C1 ZINC000371552898 557219505 /nfs/dbraw/zinc/21/95/05/557219505.db2.gz KBSYUBDUARDFIO-ZIFCJYIRSA-N 1 0 361.511 2.472 20 30 FEEDRO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1CCCN(C)c1ccccc1 ZINC000517735292 562096846 /nfs/dbraw/zinc/09/68/46/562096846.db2.gz HRURPDHVSZTHFU-QGZVFWFLSA-N 1 0 350.470 2.385 20 30 FEEDRO COc1cc(C[N@H+](CCO)C[C@@H](C)O)ccc1OCc1cccc(C#N)c1 ZINC000517784548 562098091 /nfs/dbraw/zinc/09/80/91/562098091.db2.gz JUVHGBQKAIYCCU-MRXNPFEDSA-N 1 0 370.449 2.321 20 30 FEEDRO Cc1ccc(C#N)c(N2CCC[C@H](C(=O)NCC(C)(C)C[NH+](C)C)C2)n1 ZINC000371842881 557309051 /nfs/dbraw/zinc/30/90/51/557309051.db2.gz NOYYCAGVFWKZKV-KRWDZBQOSA-N 1 0 357.502 2.182 20 30 FEEDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000518839935 562119593 /nfs/dbraw/zinc/11/95/93/562119593.db2.gz KLNXJCZZAMQFDB-CQSZACIVSA-N 1 0 355.446 2.381 20 30 FEEDRO C=CCN(CC=C)C(=O)C[N@@H+](C)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000372717944 557545955 /nfs/dbraw/zinc/54/59/55/557545955.db2.gz PQOTUYKFUDSDIT-UHFFFAOYSA-N 1 0 357.502 2.195 20 30 FEEDRO CC(C)(C#N)c1ccccc1CN1C(=O)N[C@]2(CCCC[C@H]2C[NH3+])C1=O ZINC000519713761 562141217 /nfs/dbraw/zinc/14/12/17/562141217.db2.gz OBYOIRHNDBIMDV-YWZLYKJASA-N 1 0 354.454 2.427 20 30 FEEDRO C[NH2+]C[C@H]1CCCN(C(=O)NC2CCC(Oc3ncccc3C#N)CC2)C1 ZINC000519591587 562136069 /nfs/dbraw/zinc/13/60/69/562136069.db2.gz BKKUSYGHXLTRPT-FAEJEUNOSA-N 1 0 371.485 2.284 20 30 FEEDRO N#Cc1c(F)ccc(C[NH2+]C[C@]2(N3CCOCC3)CCCOC2)c1Cl ZINC000373030433 557613362 /nfs/dbraw/zinc/61/33/62/557613362.db2.gz WETPQDIWPCQQSK-GOSISDBHSA-N 1 0 367.852 2.322 20 30 FEEDRO Cc1c(C#N)cccc1NC(=O)N1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000373166030 557642325 /nfs/dbraw/zinc/64/23/25/557642325.db2.gz KWWFVXWKAYFSSU-HNNXBMFYSA-N 1 0 355.486 2.499 20 30 FEEDRO CN(C)C(=O)COc1cccc(C[NH2+][C@@H]2CCC[C@@H]3O[C@@H](CC#N)C[C@H]32)c1 ZINC000373222591 557652954 /nfs/dbraw/zinc/65/29/54/557652954.db2.gz CZYDHEKTDIMDLZ-HAGHYFMRSA-N 1 0 371.481 2.483 20 30 FEEDRO C[C@H](C(=O)NC[C@@H](C)c1ccccc1)[NH+]1CCC(n2cnc(C#N)n2)CC1 ZINC000373400994 557687280 /nfs/dbraw/zinc/68/72/80/557687280.db2.gz UGYKIIDCRGERIX-HZPDHXFCSA-N 1 0 366.469 2.095 20 30 FEEDRO C[NH+]1CCC2(CCCN2S(=O)(=O)c2cc(C#N)ccc2Cl)CC1 ZINC000373471850 557699847 /nfs/dbraw/zinc/69/98/47/557699847.db2.gz BRXPRUQNTXYMCH-UHFFFAOYSA-N 1 0 353.875 2.461 20 30 FEEDRO C=CCN(C(=O)NCc1ncnn1CC)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000373538698 557713560 /nfs/dbraw/zinc/71/35/60/557713560.db2.gz OYFGMPDWNFNTDA-GOSISDBHSA-N 1 0 368.485 2.270 20 30 FEEDRO N#CC1(NC(=O)Cc2ncccc2F)CC[NH+](Cc2ccccc2)CC1 ZINC000373846888 557772174 /nfs/dbraw/zinc/77/21/74/557772174.db2.gz XPWVUNUDQWJTRU-UHFFFAOYSA-N 1 0 352.413 2.438 20 30 FEEDRO C=C(C)[C@H]1OCC[C@H]1C[NH2+]C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000373866810 557776793 /nfs/dbraw/zinc/77/67/93/557776793.db2.gz NMPOMJHURJVCLN-WMLDXEAASA-N 1 0 370.540 2.472 20 30 FEEDRO N#Cc1cccc(-n2ccc(C(=O)N3C[C@@H]4C[N@@H+]5CCCC[C@@H]5[C@@H]4C3)n2)c1 ZINC000373960171 557796536 /nfs/dbraw/zinc/79/65/36/557796536.db2.gz YUHGGMTUHDFTFH-ILZDJORESA-N 1 0 361.449 2.300 20 30 FEEDRO CN(CCC[NH+]1CCCC1)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 ZINC000374166562 557835892 /nfs/dbraw/zinc/83/58/92/557835892.db2.gz XMXARFAIFDPGQC-UHFFFAOYSA-N 1 0 370.432 2.833 20 30 FEEDRO COc1cccc(OCCN2C[C@H](C#N)[C@]3(C2)c2ccccc2NC3=O)c1 ZINC000374390455 557877497 /nfs/dbraw/zinc/87/74/97/557877497.db2.gz WLMBVWNAIMOFOD-YCRPNKLZSA-N 1 0 363.417 2.419 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N2CCC(C#N)(c3ccccn3)CC2)CC1 ZINC000374415868 557880953 /nfs/dbraw/zinc/88/09/53/557880953.db2.gz OYEYEJSIGRHXJT-UHFFFAOYSA-N 1 0 353.470 2.299 20 30 FEEDRO COc1cc(C#N)ccc1OCCN1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000374417493 557881182 /nfs/dbraw/zinc/88/11/82/557881182.db2.gz AVLAVWBTOHKZKS-YQVWRLOYSA-N 1 0 359.470 2.129 20 30 FEEDRO C[C@@H](CNC(=O)N1CCC(C#N)(c2ccccn2)CC1)C[NH+]1CCCC1 ZINC000374425814 557882483 /nfs/dbraw/zinc/88/24/83/557882483.db2.gz ZUCNQNYOMBVOHP-KRWDZBQOSA-N 1 0 355.486 2.380 20 30 FEEDRO N#Cc1ccc(CN2CCC([NH2+][C@@H]3CC(=O)N4CCCC[C@H]34)CC2)cc1 ZINC000374503959 557892275 /nfs/dbraw/zinc/89/22/75/557892275.db2.gz KFNZNVQOYWRSRD-WOJBJXKFSA-N 1 0 352.482 2.266 20 30 FEEDRO Cc1c(/C=C/C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)cnn1C ZINC000374893902 557947018 /nfs/dbraw/zinc/94/70/18/557947018.db2.gz MJFSURZWPIFOKE-CMDGGOBGSA-N 1 0 363.465 2.416 20 30 FEEDRO N#C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C[C@@H]3CCCc4ccccc43)C2)CCO1 ZINC000374929331 557952636 /nfs/dbraw/zinc/95/26/36/557952636.db2.gz KTQULYJAOFLKAD-IPMKNSEASA-N 1 0 353.466 2.179 20 30 FEEDRO CN1CC[C@H]([NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)[C@H]1c1ccccc1 ZINC000375070835 557973700 /nfs/dbraw/zinc/97/37/00/557973700.db2.gz JZPOWZVPUNXWKC-VQTJNVASSA-N 1 0 369.490 2.367 20 30 FEEDRO N#Cc1ccc(N2CCC[C@@H](NC(=O)N3CC[NH+]4CCC3CC4)C2)c(F)c1 ZINC000375221230 557994378 /nfs/dbraw/zinc/99/43/78/557994378.db2.gz XYWACDDJROILOK-MRXNPFEDSA-N 1 0 371.460 2.156 20 30 FEEDRO N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CC[C@H](c3nc(C4CC4)no3)C2)cc1 ZINC000375471094 558033094 /nfs/dbraw/zinc/03/30/94/558033094.db2.gz PPQNTISZANVLSR-HOTGVXAUSA-N 1 0 354.410 2.048 20 30 FEEDRO C=CCOc1ccc(C[N@@H+]2C[C@H](C(N)=O)[C@@H](c3cnn(C)c3)C2)cc1Cl ZINC000375520618 558042490 /nfs/dbraw/zinc/04/24/90/558042490.db2.gz UVPWVNQERJKUQU-CVEARBPZSA-N 1 0 374.872 2.339 20 30 FEEDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000375635782 558060409 /nfs/dbraw/zinc/06/04/09/558060409.db2.gz GTXVDUGEUZBBJY-OCCSQVGLSA-N 1 0 353.875 2.459 20 30 FEEDRO CCN(CCC#N)C(=O)C[N@@H+]1CCN(c2ccccc2OC)CC[C@@H]1C ZINC000375672430 558065365 /nfs/dbraw/zinc/06/53/65/558065365.db2.gz MVABHPDUIYHFBY-KRWDZBQOSA-N 1 0 358.486 2.358 20 30 FEEDRO CCN([C@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)N(C)[C@H](C)CC#N ZINC000375705734 558070463 /nfs/dbraw/zinc/07/04/63/558070463.db2.gz HNIOYINOPOOPCH-AEFFLSMTSA-N 1 0 364.515 2.062 20 30 FEEDRO N#Cc1ccc(CN2CCC([NH2+]C[C@H]3CN4CCCC[C@H]4CO3)CC2)cc1 ZINC000376178697 558137269 /nfs/dbraw/zinc/13/72/69/558137269.db2.gz SVWJWZUPAIKIKP-VXKWHMMOSA-N 1 0 368.525 2.366 20 30 FEEDRO CCN1CC[NH+](CCCCNC(=O)[C@@]2(C#N)CCc3ccccc3C2)CC1 ZINC000376546811 558188506 /nfs/dbraw/zinc/18/85/06/558188506.db2.gz FJOBPBZCDQLNPC-QFIPXVFZSA-N 1 0 368.525 2.219 20 30 FEEDRO C#CC[C@@H](Cc1ccccc1)NC(=O)N=c1ccn(C2CC[NH+](C)CC2)[nH]1 ZINC000376614205 558198008 /nfs/dbraw/zinc/19/80/08/558198008.db2.gz PXDRFPDDDAYOIG-SFHVURJKSA-N 1 0 365.481 2.906 20 30 FEEDRO C=CC[C@@H](C(=O)N1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1)c1ccccc1 ZINC000376906456 558237292 /nfs/dbraw/zinc/23/72/92/558237292.db2.gz FMSKFNZJIINZIY-MOPGFXCFSA-N 1 0 355.482 2.287 20 30 FEEDRO C=CC[C@H](C(=O)N1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1)c1ccccc1 ZINC000376906457 558237369 /nfs/dbraw/zinc/23/73/69/558237369.db2.gz FMSKFNZJIINZIY-OALUTQOASA-N 1 0 355.482 2.287 20 30 FEEDRO CC(C)[C@](C)(C#N)NC(=O)CN(C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000377360225 558324764 /nfs/dbraw/zinc/32/47/64/558324764.db2.gz XUDUOQWDPGDWPO-IHPCNDPISA-N 1 0 357.502 2.061 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@H]1CCC(=O)N[C@@H]1C1CC1 ZINC000377404160 558334416 /nfs/dbraw/zinc/33/44/16/558334416.db2.gz XPBLWOMUCLHAOU-QANKJYHBSA-N 1 0 361.511 2.298 20 30 FEEDRO CN(C(=O)CCc1ccc(C#N)cc1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000377641560 558384354 /nfs/dbraw/zinc/38/43/54/558384354.db2.gz OEWYNWOLCFPGJX-FQEVSTJZSA-N 1 0 354.498 2.118 20 30 FEEDRO N#C[C@H]1CN(C(=O)C2CC[NH+](Cc3ccccc3)CC2)CCN1C1CC1 ZINC000377666179 558391249 /nfs/dbraw/zinc/39/12/49/558391249.db2.gz CZMHXQXLTHALBP-FQEVSTJZSA-N 1 0 352.482 2.097 20 30 FEEDRO N#Cc1cccc(CNC(=O)C[N@@H+]2CCCN3c4ccccc4C[C@H]3C2)c1 ZINC000377684326 558395873 /nfs/dbraw/zinc/39/58/73/558395873.db2.gz WRTBVZPMNZGOMN-FQEVSTJZSA-N 1 0 360.461 2.311 20 30 FEEDRO C[C@H](C(=O)N(C)CCC#N)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000377717127 558404278 /nfs/dbraw/zinc/40/42/78/558404278.db2.gz DLAOYMCBJBCOMD-RLLQIKCJSA-N 1 0 354.498 2.201 20 30 FEEDRO C[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc(C#N)cc2)[C@@H]1c1cccs1 ZINC000377759875 558413984 /nfs/dbraw/zinc/41/39/84/558413984.db2.gz IAUQVCDZXVUQFT-WMLDXEAASA-N 1 0 368.462 2.367 20 30 FEEDRO COc1ccc(C[NH2+][C@@H]2CCN(c3ccn(C)n3)C2)cc1OCCCC#N ZINC000377794750 558420959 /nfs/dbraw/zinc/42/09/59/558420959.db2.gz LXYHJFTWVFPETF-QGZVFWFLSA-N 1 0 369.469 2.480 20 30 FEEDRO N#CC1(C(=O)Nc2ccc(CC[NH+]3CCC(C(N)=O)CC3)cc2)CCC1 ZINC000522876079 562205241 /nfs/dbraw/zinc/20/52/41/562205241.db2.gz SEMHUPUSJDEHIY-UHFFFAOYSA-N 1 0 354.454 2.059 20 30 FEEDRO N#Cc1cccc([C@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C3CCOCC3)CCO2)c1 ZINC000378298564 558523496 /nfs/dbraw/zinc/52/34/96/558523496.db2.gz GVQQUGQTEUEYPC-VQTJNVASSA-N 1 0 369.465 2.102 20 30 FEEDRO C=C(C)[C@H](CC(=O)N1CCC([NH+]2CCN(C(C)C)CC2)CC1)OCC ZINC000378311669 558526696 /nfs/dbraw/zinc/52/66/96/558526696.db2.gz JDQMAQAUDDEQKK-IBGZPJMESA-N 1 0 351.535 2.375 20 30 FEEDRO COc1cc(C#N)ccc1OCCN1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000378369902 558541666 /nfs/dbraw/zinc/54/16/66/558541666.db2.gz MCAGKWHEEVHMGQ-QGZVFWFLSA-N 1 0 372.513 2.046 20 30 FEEDRO COC(=O)[C@@H](c1cccc(C#N)c1)N1CCC(C)(C[NH+]2CCOCC2)CC1 ZINC000378432906 558555984 /nfs/dbraw/zinc/55/59/84/558555984.db2.gz IHSJXJIXFCPDEX-LJQANCHMSA-N 1 0 371.481 2.207 20 30 FEEDRO N#Cc1ccc(CNC(=O)C[N@@H+]2CC[C@H](n3ncc4ccccc43)C2)cc1 ZINC000378564031 558584089 /nfs/dbraw/zinc/58/40/89/558584089.db2.gz HVCXKPDWJUXKLK-IBGZPJMESA-N 1 0 359.433 2.471 20 30 FEEDRO CCN(C[C@H](C)C#N)S(=O)(=O)N1CCC[C@H]([NH+]2[C@H](C)CC[C@H]2C)C1 ZINC000407955581 558633279 /nfs/dbraw/zinc/63/32/79/558633279.db2.gz RTXGDWANAVWORL-VQHPVUNQSA-N 1 0 356.536 2.050 20 30 FEEDRO C[C@@H](C#N)CN(C)S(=O)(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1 ZINC000409596473 558706858 /nfs/dbraw/zinc/70/68/58/558706858.db2.gz KKHZJYJXMUZBHD-AWEZNQCLSA-N 1 0 372.922 2.040 20 30 FEEDRO C=CCOc1ccc(C(=O)NC[C@H](O)C[NH+]2CCC(C)CC2)cc1OC ZINC000409713035 558715616 /nfs/dbraw/zinc/71/56/16/558715616.db2.gz BWPSBJMTYIBURN-KRWDZBQOSA-N 1 0 362.470 2.083 20 30 FEEDRO CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000410099354 558738250 /nfs/dbraw/zinc/73/82/50/558738250.db2.gz LJXIZXOWDYUEDT-ZBFHGGJFSA-N 1 0 368.503 2.041 20 30 FEEDRO C[C@@H](CNS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1)[N@H+](C)C1CC1 ZINC000410117603 558739378 /nfs/dbraw/zinc/73/93/78/558739378.db2.gz MOYFAMWGUPKIBW-JTQLQIEISA-N 1 0 361.389 2.338 20 30 FEEDRO CCN(CCC#N)S(=O)(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000410125647 558740309 /nfs/dbraw/zinc/74/03/09/558740309.db2.gz ZDWRZEDHNUHTFL-MRXNPFEDSA-N 1 0 364.515 2.282 20 30 FEEDRO CCN(CCC#N)S(=O)(=O)N(CC)Cc1ccc(C[NH+](C)C)cc1 ZINC000410149108 558742145 /nfs/dbraw/zinc/74/21/45/558742145.db2.gz GNYOWRVGSZHYFY-UHFFFAOYSA-N 1 0 352.504 2.050 20 30 FEEDRO C[C@H](CNC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)[NH+]1CCCC1 ZINC000525780279 562254877 /nfs/dbraw/zinc/25/48/77/562254877.db2.gz OUUDONPHVJVFPO-LLVKDONJSA-N 1 0 368.359 2.116 20 30 FEEDRO COC(=O)[C@@H]1CCCCC[C@@H]1[NH2+][C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000411776477 558960433 /nfs/dbraw/zinc/96/04/33/558960433.db2.gz VQWBASDTXLTCBS-FGTMMUONSA-N 1 0 355.438 2.375 20 30 FEEDRO N#Cc1cccc(NC(=O)CC[N@H+]2CC[C@](C(N)=O)(c3ccccc3)C2)c1 ZINC000411967360 558996875 /nfs/dbraw/zinc/99/68/75/558996875.db2.gz MUNLVCQCKBMTAI-OAQYLSRUSA-N 1 0 362.433 2.016 20 30 FEEDRO C=CCSc1ccccc1NC(=O)C[NH2+][C@@H](CO)[C@@H]1CCCOC1 ZINC000411999223 559000973 /nfs/dbraw/zinc/00/09/73/559000973.db2.gz XBPLMUSRDNTHQX-ZBFHGGJFSA-N 1 0 350.484 2.280 20 30 FEEDRO Cc1oc(NC(=O)C[NH2+]C2(CO)C3CC4CC(C3)CC2C4)c(C#N)c1C ZINC000411999934 559001269 /nfs/dbraw/zinc/00/12/69/559001269.db2.gz COSNDUKXGAXLRW-UHFFFAOYSA-N 1 0 357.454 2.483 20 30 FEEDRO C=CCC[C@H](NC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1)C(=O)OCC ZINC000412391973 559032716 /nfs/dbraw/zinc/03/27/16/559032716.db2.gz DRUXCDDKRVGAFD-CVEARBPZSA-N 1 0 354.516 2.218 20 30 FEEDRO C[C@@H]([NH2+]CC1(N2CCSCC2)CCCCC1)C(=O)NC1(C#N)CCC1 ZINC000526048025 562265131 /nfs/dbraw/zinc/26/51/31/562265131.db2.gz SOQYQZAHCNUUMK-MRXNPFEDSA-N 1 0 364.559 2.279 20 30 FEEDRO C=CC[C@H](Cc1ccccc1)NC(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000413106261 559078573 /nfs/dbraw/zinc/07/85/73/559078573.db2.gz ZVXOHBOBOLAXTK-HXUWFJFHSA-N 1 0 358.530 2.499 20 30 FEEDRO CC[N@@H+]1CC[C@@H](NC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)C1 ZINC000413263700 559093241 /nfs/dbraw/zinc/09/32/41/559093241.db2.gz MSQHBGOWZWZDBG-JKSUJKDBSA-N 1 0 359.449 2.060 20 30 FEEDRO C=C(C)COc1cc(CN2CC[N@H+](C)C[C@@H](C(=O)OC)C2)ccc1OC ZINC000414489216 559167965 /nfs/dbraw/zinc/16/79/65/559167965.db2.gz MNYXFUUZSPXOHZ-QGZVFWFLSA-N 1 0 362.470 2.187 20 30 FEEDRO N#Cc1cccc(COc2cccc(C[N@@H+]3CC[C@H](O)[C@@H](CO)C3)c2)c1 ZINC000414556048 559171480 /nfs/dbraw/zinc/17/14/80/559171480.db2.gz JEEHUHOXRHIIMR-CTNGQTDRSA-N 1 0 352.434 2.312 20 30 FEEDRO C=CCOc1cccc(NC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)c1 ZINC000415012973 559200548 /nfs/dbraw/zinc/20/05/48/559200548.db2.gz KDGQTSJCFYCJNN-OAHLLOKOSA-N 1 0 372.391 2.209 20 30 FEEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(C)C[C@H](O)C[NH3+])cc1 ZINC000415078016 559204120 /nfs/dbraw/zinc/20/41/20/559204120.db2.gz GEAJUDSRSCCQNN-OAHLLOKOSA-N 1 0 370.409 2.142 20 30 FEEDRO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)Nc2ccccc2S[C@@H](C)CC#N)C1 ZINC000415282881 559220961 /nfs/dbraw/zinc/22/09/61/559220961.db2.gz NLTCKKWFZJNBCQ-GJZGRUSLSA-N 1 0 374.510 2.477 20 30 FEEDRO N#Cc1ccc(Oc2cccc(NC(=O)C(=O)N[C@H]3CCC[NH2+]C3)c2)cc1 ZINC000415302725 559222396 /nfs/dbraw/zinc/22/23/96/559222396.db2.gz CLKILWGSLBIZST-INIZCTEOSA-N 1 0 364.405 2.157 20 30 FEEDRO N#Cc1ccc(Oc2cccc(NC(=O)C(=O)N[C@@H]3CCC[NH2+]C3)c2)cc1 ZINC000415302727 559222402 /nfs/dbraw/zinc/22/24/02/559222402.db2.gz CLKILWGSLBIZST-MRXNPFEDSA-N 1 0 364.405 2.157 20 30 FEEDRO N#Cc1cccc(Oc2ccc(NC(=O)C(=O)N[C@@H]3CCC[NH2+]C3)cc2)c1 ZINC000415309308 559222839 /nfs/dbraw/zinc/22/28/39/559222839.db2.gz ZBTUSPAPEWIJIA-MRXNPFEDSA-N 1 0 364.405 2.157 20 30 FEEDRO CN(C(=O)C(=O)Nc1ccccc1C#Cc1ccccc1)C1CC[NH2+]CC1 ZINC000415327458 559224479 /nfs/dbraw/zinc/22/44/79/559224479.db2.gz OCOOCHNVMWFFKK-UHFFFAOYSA-N 1 0 361.445 2.235 20 30 FEEDRO C[C@H](NC(=O)C(=O)Nc1scc(C(C)(C)C)c1C#N)[C@H]1CCC[NH2+]C1 ZINC000415353982 559226816 /nfs/dbraw/zinc/22/68/16/559226816.db2.gz RPFRKPSGJKRNHK-RYUDHWBXSA-N 1 0 362.499 2.360 20 30 FEEDRO CC(C)[C@@H]1CCc2c(C#N)c(NC(=O)C(=O)NC[C@@H]3CCC[NH2+]3)sc2C1 ZINC000415372814 559228564 /nfs/dbraw/zinc/22/85/64/559228564.db2.gz GVLULXNRYBOMCD-OLZOCXBDSA-N 1 0 374.510 2.187 20 30 FEEDRO C[NH2+]C[C@H]1CCN(C(=O)C(=O)Nc2ccccc2C#Cc2ccccc2)C1 ZINC000415392962 559230591 /nfs/dbraw/zinc/23/05/91/559230591.db2.gz KNFXADQMEILUGD-GOSISDBHSA-N 1 0 361.445 2.093 20 30 FEEDRO C[NH2+]CC1CCN(C(=O)C(=O)Nc2ccccc2SC[C@@H](C)C#N)CC1 ZINC000415397727 559231281 /nfs/dbraw/zinc/23/12/81/559231281.db2.gz JGAKGKUJWFEWLX-AWEZNQCLSA-N 1 0 374.510 2.335 20 30 FEEDRO CC(C)(C)c1cc(C#N)c(NC(=O)C(=O)NCC[C@H]2CCC[NH2+]C2)s1 ZINC000415404675 559231973 /nfs/dbraw/zinc/23/19/73/559231973.db2.gz BHPZMVGVLYVOCO-GFCCVEGCSA-N 1 0 362.499 2.362 20 30 FEEDRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000415431462 559235889 /nfs/dbraw/zinc/23/58/89/559235889.db2.gz DMSWGNRWHFUOMP-GOSISDBHSA-N 1 0 366.421 2.389 20 30 FEEDRO C[NH2+]CC1CCN(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)CC1 ZINC000415437502 559236817 /nfs/dbraw/zinc/23/68/17/559236817.db2.gz CDBLWYVMLCSMGX-UHFFFAOYSA-N 1 0 372.860 2.861 20 30 FEEDRO C[C@H]1C[C@@H](NC(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)CC[NH2+]1 ZINC000415445502 559237775 /nfs/dbraw/zinc/23/77/75/559237775.db2.gz GUQRFRLSRKYPDC-FZMZJTMJSA-N 1 0 358.833 2.659 20 30 FEEDRO C[C@]1(CNC(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)CCC[NH2+]C1 ZINC000415446563 559237909 /nfs/dbraw/zinc/23/79/09/559237909.db2.gz HIVGPOFXGUQMIW-SFHVURJKSA-N 1 0 372.860 2.909 20 30 FEEDRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000415446315 559237969 /nfs/dbraw/zinc/23/79/69/559237969.db2.gz HBKPDXGEQNEISW-KRWDZBQOSA-N 1 0 366.421 2.389 20 30 FEEDRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)C1 ZINC000415447452 559238088 /nfs/dbraw/zinc/23/80/88/559238088.db2.gz HLMCANRWGNDIJN-QWHCGFSZSA-N 1 0 372.860 2.988 20 30 FEEDRO CC[NH2+]CC1CCN(C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CC1 ZINC000415451985 559238728 /nfs/dbraw/zinc/23/87/28/559238728.db2.gz XTCMGNWXRSLIKM-UHFFFAOYSA-N 1 0 370.432 2.736 20 30 FEEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000415469925 559240660 /nfs/dbraw/zinc/24/06/60/559240660.db2.gz XKAQEHPUHKVMBT-HZSPNIEDSA-N 1 0 360.483 2.073 20 30 FEEDRO CCOc1ccc(C#N)cc1NC(=O)C(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000415499755 559243997 /nfs/dbraw/zinc/24/39/97/559243997.db2.gz VESNGBLIVCGBAR-ZDUSSCGKSA-N 1 0 366.421 2.232 20 30 FEEDRO CCC([NH3+])(CC)CNC(=O)C(=O)Nc1sc(C(C)(C)C)cc1C#N ZINC000415503920 559244353 /nfs/dbraw/zinc/24/43/53/559244353.db2.gz YMDAVYGEEJQZEX-UHFFFAOYSA-N 1 0 350.488 2.489 20 30 FEEDRO C=C(C)COc1cccc(NC(=O)C(=O)N2CCC(CC[NH2+]C)CC2)c1 ZINC000415550267 559248759 /nfs/dbraw/zinc/24/87/59/559248759.db2.gz MFXCQMAZCCDISY-UHFFFAOYSA-N 1 0 359.470 2.428 20 30 FEEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000415627788 559256295 /nfs/dbraw/zinc/25/62/95/559256295.db2.gz CSCNALRLBGFVLN-KFWWJZLASA-N 1 0 372.494 2.230 20 30 FEEDRO N#Cc1cccc(-c2csc(NC(=O)C(=O)N[C@H]3CCC[C@@H]([NH3+])C3)n2)c1 ZINC000415636205 559257173 /nfs/dbraw/zinc/25/71/73/559257173.db2.gz FBEXQARNJHKINV-KGLIPLIRSA-N 1 0 369.450 2.006 20 30 FEEDRO C[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccccc2C#Cc2ccccc2)CC[NH2+]1 ZINC000415660809 559259208 /nfs/dbraw/zinc/25/92/08/559259208.db2.gz OCIRDZLMLIZASY-LPHOPBHVSA-N 1 0 361.445 2.282 20 30 FEEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000415684606 559261621 /nfs/dbraw/zinc/26/16/21/559261621.db2.gz XSSKAMHSNANVFO-CABCVRRESA-N 1 0 374.510 2.464 20 30 FEEDRO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NC[C@]1(COC)CCC[NH2+]1 ZINC000415705778 559263942 /nfs/dbraw/zinc/26/39/42/559263942.db2.gz JSJCZFNWLJQBGR-NRFANRHFSA-N 1 0 373.497 2.362 20 30 FEEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000415751294 559267612 /nfs/dbraw/zinc/26/76/12/559267612.db2.gz VYXKOUQJDIZLSJ-KFWWJZLASA-N 1 0 372.494 2.087 20 30 FEEDRO CC1(C)C[NH2+][C@H]1C1CCN(C(=O)C(=O)Nc2ccc(C#N)cc2Cl)CC1 ZINC000415848077 559278108 /nfs/dbraw/zinc/27/81/08/559278108.db2.gz CPHKNOQZDLNSLK-INIZCTEOSA-N 1 0 374.872 2.387 20 30 FEEDRO Cc1cc(C#N)cc(NC(=O)C(=O)N2CCC([C@H]3[NH2+]CC3(C)C)CC2)c1 ZINC000415857584 559279173 /nfs/dbraw/zinc/27/91/73/559279173.db2.gz HYJIJTPPZPGWME-QGZVFWFLSA-N 1 0 354.454 2.042 20 30 FEEDRO CC[NH2+]Cc1cccc(NC(=O)N2CCN(c3cc(C#N)ccn3)CC2)c1 ZINC000415928921 559283198 /nfs/dbraw/zinc/28/31/98/559283198.db2.gz GHXBGZFVCIXELN-UHFFFAOYSA-N 1 0 364.453 2.417 20 30 FEEDRO N#Cc1ccccc1CSCCNC(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000415996247 559287959 /nfs/dbraw/zinc/28/79/59/559287959.db2.gz OUTDVIWODXXBIL-ZDUSSCGKSA-N 1 0 360.405 2.370 20 30 FEEDRO N#Cc1ccc(OC2CCN(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)CC2)cc1 ZINC000416057925 559291103 /nfs/dbraw/zinc/29/11/03/559291103.db2.gz ZQPIJBQWHCKUIU-HNNXBMFYSA-N 1 0 370.375 2.391 20 30 FEEDRO C[NH+](C)[C@@H](CC(=O)N1CCN(c2ccc(C#N)cn2)CC1)c1ccccc1 ZINC000416134951 559293643 /nfs/dbraw/zinc/29/36/43/559293643.db2.gz QBEHCCYCPGVGOK-IBGZPJMESA-N 1 0 363.465 2.295 20 30 FEEDRO C[C@@H](C#N)S(=O)(=O)N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000416399235 559310114 /nfs/dbraw/zinc/31/01/14/559310114.db2.gz OGHFTFDQAYFGBS-SMDDNHRTSA-N 1 0 361.389 2.111 20 30 FEEDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000416685024 559329647 /nfs/dbraw/zinc/32/96/47/559329647.db2.gz LRNNGTVMXFFVLB-PKOBYXMFSA-N 1 0 356.470 2.346 20 30 FEEDRO N#Cc1ccc(N2CCC[C@H](NC(=O)N[C@@H]3CC[C@@H](C[NH3+])C3)C2)c(F)c1 ZINC000417573397 559367296 /nfs/dbraw/zinc/36/72/96/559367296.db2.gz HPTQNTRONQNQLM-BMFZPTHFSA-N 1 0 359.449 2.093 20 30 FEEDRO C[C@@H]([NH3+])C1CCN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)CC1 ZINC000417572743 559367337 /nfs/dbraw/zinc/36/73/37/559367337.db2.gz GLQXFLUCOSYZTD-PBHICJAKSA-N 1 0 373.476 2.435 20 30 FEEDRO N#Cc1ccc(N2CCC[C@@H](NC(=O)N3CCC[C@H](CC[NH3+])C3)C2)c(F)c1 ZINC000417580956 559367513 /nfs/dbraw/zinc/36/75/13/559367513.db2.gz RWVDHKJNDDTXQZ-NVXWUHKLSA-N 1 0 373.476 2.437 20 30 FEEDRO CCCC[C@@H](C[NH3+])NC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000417579971 559367659 /nfs/dbraw/zinc/36/76/59/559367659.db2.gz QHAYAUYUEKSPLN-JKSUJKDBSA-N 1 0 361.465 2.483 20 30 FEEDRO C=CCC[C@H](NC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)c1ccccc1 ZINC000417910490 559381646 /nfs/dbraw/zinc/38/16/46/559381646.db2.gz JZPPRGUSBJJCTP-MSOLQXFVSA-N 1 0 358.486 2.190 20 30 FEEDRO C=CCCOCCNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000417955369 559383767 /nfs/dbraw/zinc/38/37/67/559383767.db2.gz GUKLTZFVKFQANX-RHSMWYFYSA-N 1 0 353.413 2.302 20 30 FEEDRO C=CCCOCCNC(=O)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000417955368 559383790 /nfs/dbraw/zinc/38/37/90/559383790.db2.gz GUKLTZFVKFQANX-PBHICJAKSA-N 1 0 353.413 2.302 20 30 FEEDRO C=CCC1(CNC(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])CCCC1 ZINC000418259283 559395761 /nfs/dbraw/zinc/39/57/61/559395761.db2.gz OIEKSTADANSHSM-MRXNPFEDSA-N 1 0 350.507 2.152 20 30 FEEDRO CC(C)C[C@@H](C[NH3+])NC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000418435307 559401551 /nfs/dbraw/zinc/40/15/51/559401551.db2.gz FZTPGBXHYYEUKJ-SFHVURJKSA-N 1 0 371.485 2.292 20 30 FEEDRO C[C@H]1C[C@@H](NC(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)CC[NH2+]1 ZINC000418605900 559407690 /nfs/dbraw/zinc/40/76/90/559407690.db2.gz PYCKRYXELNZVMT-KSSFIOAISA-N 1 0 369.469 2.059 20 30 FEEDRO N#Cc1ccc(N2CCN(C(=O)N[C@H](C[NH3+])C3CCCC3)CC2)c(F)c1 ZINC000418630390 559408625 /nfs/dbraw/zinc/40/86/25/559408625.db2.gz XEKRGHFORTUJHC-QGZVFWFLSA-N 1 0 359.449 2.046 20 30 FEEDRO C[NH2+]CCCNC(=O)C(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000419211973 559432821 /nfs/dbraw/zinc/43/28/21/559432821.db2.gz UARMJMGWQUZLLM-OAHLLOKOSA-N 1 0 364.449 2.128 20 30 FEEDRO C=C(C)[C@@H](NC(=O)C(=O)N1CC[NH2+]C[C@H]1CCC)c1ccc(F)c(F)c1 ZINC000419679878 559453650 /nfs/dbraw/zinc/45/36/50/559453650.db2.gz QEOBZQGRSCHSIR-RHSMWYFYSA-N 1 0 365.424 2.299 20 30 FEEDRO C=C(C)[C@H](NC(=O)C(=O)N1CCC([C@@H](C)[NH3+])CC1)c1ccc(F)c(F)c1 ZINC000419683862 559453939 /nfs/dbraw/zinc/45/39/39/559453939.db2.gz VPDVPITUCRUPJI-PXAZEXFGSA-N 1 0 365.424 2.284 20 30 FEEDRO C=CCN(CCc1ccco1)C(=O)C(=O)NCC[NH2+]C1CCCCCC1 ZINC000420033937 559469604 /nfs/dbraw/zinc/46/96/04/559469604.db2.gz BNBMUIUVEVZEQF-UHFFFAOYSA-N 1 0 361.486 2.265 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)NCCC[C@@H]2CCC[NH2+]2)cc1C(F)(F)F ZINC000420438324 559487302 /nfs/dbraw/zinc/48/73/02/559487302.db2.gz DTKDDRQSMUCGGS-LBPRGKRZSA-N 1 0 361.389 2.388 20 30 FEEDRO N#Cc1cc(S(=O)(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)ccc1Cl ZINC000420465289 559488872 /nfs/dbraw/zinc/48/88/72/559488872.db2.gz YMYDSBZOACSTMG-OLZOCXBDSA-N 1 0 353.875 2.222 20 30 FEEDRO COC1([C@@H](C)[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCOCC1 ZINC000421037609 559521158 /nfs/dbraw/zinc/52/11/58/559521158.db2.gz SAYONSFACRYDNT-CRAIPNDOSA-N 1 0 357.454 2.227 20 30 FEEDRO CC(C)[C@H](CNC(=O)C(=O)NCC(C)(C)CC#N)[NH+]1CCCCCC1 ZINC000421254417 559533850 /nfs/dbraw/zinc/53/38/50/559533850.db2.gz ZHHOGNMNQVYVDZ-INIZCTEOSA-N 1 0 350.507 2.059 20 30 FEEDRO Cc1ccc(S(=O)(=O)NCC[NH2+]Cc2ccc(C#N)c(F)c2)s1 ZINC000421339036 559539581 /nfs/dbraw/zinc/53/95/81/559539581.db2.gz FJSRKCUCKHYNRH-UHFFFAOYSA-N 1 0 353.444 2.135 20 30 FEEDRO CCCN1C[C@@H](C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CC1=O ZINC000421348543 559539789 /nfs/dbraw/zinc/53/97/89/559539789.db2.gz HPMWMLKJXATUMI-LJQANCHMSA-N 1 0 354.498 2.371 20 30 FEEDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)CCC(=O)N(CCC#N)c1ccccc1 ZINC000421709495 559550423 /nfs/dbraw/zinc/55/04/23/559550423.db2.gz FOAVMYKFUQMTSL-SFHVURJKSA-N 1 0 356.470 2.266 20 30 FEEDRO C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000422086503 559564352 /nfs/dbraw/zinc/56/43/52/559564352.db2.gz OQCAATXYUJLBIV-MJGOQNOKSA-N 1 0 357.498 2.138 20 30 FEEDRO C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000422325309 559578859 /nfs/dbraw/zinc/57/88/59/559578859.db2.gz YQWIMXJRALSGTG-QRVBRYPASA-N 1 0 357.498 2.279 20 30 FEEDRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)C(=O)NCC(C)(C)CC#N ZINC000422478338 559590872 /nfs/dbraw/zinc/59/08/72/559590872.db2.gz GZFIUPLKIFIICA-KRWDZBQOSA-N 1 0 370.497 2.165 20 30 FEEDRO C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000422546664 559594193 /nfs/dbraw/zinc/59/41/93/559594193.db2.gz UYORYZSAWUATOX-WOJBJXKFSA-N 1 0 369.509 2.234 20 30 FEEDRO CC(C)(C(=O)N1CCN(c2cc(C#N)ccn2)CC1)[C@H]([NH3+])c1ccccc1 ZINC000422720763 559604227 /nfs/dbraw/zinc/60/42/27/559604227.db2.gz MVBYSXLOCKTXDR-LJQANCHMSA-N 1 0 363.465 2.328 20 30 FEEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000423020440 559615324 /nfs/dbraw/zinc/61/53/24/559615324.db2.gz BLUVXDJTVLWECQ-CHWSQXEVSA-N 1 0 369.918 2.359 20 30 FEEDRO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000423531022 559631406 /nfs/dbraw/zinc/63/14/06/559631406.db2.gz SECIJYZTNHHEQX-GUDVDZBRSA-N 1 0 370.497 2.117 20 30 FEEDRO CCOC(=O)c1cnn(-c2cccc(NC(=O)[C@H]([NH3+])CCCC#N)c2)c1C ZINC000424097497 559654760 /nfs/dbraw/zinc/65/47/60/559654760.db2.gz RBVVRCNODRDWDI-QGZVFWFLSA-N 1 0 369.425 2.317 20 30 FEEDRO COC(=O)[C@H](CNC(=O)[C@@H]([NH3+])CCCC#N)Cc1cccc2ccccc21 ZINC000424122310 559655486 /nfs/dbraw/zinc/65/54/86/559655486.db2.gz JCXHGUFYVFFRDX-HKUYNNGSSA-N 1 0 367.449 2.309 20 30 FEEDRO CCc1nc(CN2CCC(CNC(=O)[C@H]([NH3+])CCCC#N)CC2)cs1 ZINC000424141704 559655914 /nfs/dbraw/zinc/65/59/14/559655914.db2.gz HNHRHZXCNQFQRW-MRXNPFEDSA-N 1 0 363.531 2.055 20 30 FEEDRO N#CCCC[C@@H]([NH3+])C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccccc1 ZINC000424137781 559655998 /nfs/dbraw/zinc/65/59/98/559655998.db2.gz MEPFJFOYKQVCPK-MOPGFXCFSA-N 1 0 364.449 2.374 20 30 FEEDRO N#CCCC[C@H]([NH3+])C(=O)Nc1ccc(CN2CCOCC2)c(Cl)c1 ZINC000424165021 559656535 /nfs/dbraw/zinc/65/65/35/559656535.db2.gz DBFBHKZHQJIYJI-INIZCTEOSA-N 1 0 350.850 2.132 20 30 FEEDRO Cn1cc([C@@H]2CN(c3nc4c(cc3C#N)CCCC4(C)C)C[C@H]2[NH3+])cn1 ZINC000424411282 559663594 /nfs/dbraw/zinc/66/35/94/559663594.db2.gz KCICIORYUNNWAO-DLBZAZTESA-N 1 0 350.470 2.232 20 30 FEEDRO C=CCCn1cc(C(=O)Nc2cccc(C[NH+]3CCC(CO)CC3)c2)nn1 ZINC000424712715 559674414 /nfs/dbraw/zinc/67/44/14/559674414.db2.gz KNYPYMAYNLQDDS-UHFFFAOYSA-N 1 0 369.469 2.311 20 30 FEEDRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(c2c(C#N)cccc2[N+](=O)[O-])CC1 ZINC000425221052 559692031 /nfs/dbraw/zinc/69/20/31/559692031.db2.gz JOLQTIAZPOLLLX-IYBDPMFKSA-N 1 0 357.458 2.461 20 30 FEEDRO C=CCn1cc(CNC(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)nn1 ZINC000425396153 559700112 /nfs/dbraw/zinc/70/01/12/559700112.db2.gz JSGFBIIOPKGPPB-UHFFFAOYSA-N 1 0 368.485 2.100 20 30 FEEDRO N#C[C@H]1CC[C@@H](NC(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000425409292 559700745 /nfs/dbraw/zinc/70/07/45/559700745.db2.gz AKUOMXCEAQLWBR-VQTJNVASSA-N 1 0 369.513 2.186 20 30 FEEDRO C=CCn1cc(CNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)nn1 ZINC000425470325 559703889 /nfs/dbraw/zinc/70/38/89/559703889.db2.gz FMOKRGADDOINJG-QFBILLFUSA-N 1 0 368.485 2.174 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](C)c2ncc(C(=O)OC)s2)CC1 ZINC000425489831 559705289 /nfs/dbraw/zinc/70/52/89/559705289.db2.gz YHLUAJSWSNKKLD-LBPRGKRZSA-N 1 0 366.487 2.330 20 30 FEEDRO N#Cc1ccsc1NC(=O)C[NH2+][C@H](C1CCOCC1)C1(CO)CCC1 ZINC000425534666 559708225 /nfs/dbraw/zinc/70/82/25/559708225.db2.gz FGKSWRLZXFTDDZ-MRXNPFEDSA-N 1 0 363.483 2.106 20 30 FEEDRO N#Cc1ccccc1NC(=O)CC[NH2+][C@@H](C1CCOCC1)C1(CO)CCC1 ZINC000425550134 559709151 /nfs/dbraw/zinc/70/91/51/559709151.db2.gz VXEPJJOLOAZRFF-FQEVSTJZSA-N 1 0 371.481 2.434 20 30 FEEDRO CCOC(=O)c1c(NC(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)c(C#N)cn1CC ZINC000425679884 559714484 /nfs/dbraw/zinc/71/44/84/559714484.db2.gz MJYUWMVDDDHGDG-DZGCQCFKSA-N 1 0 373.457 2.114 20 30 FEEDRO COCC(C)(C)[NH+]1CCN(C(=O)Nc2cnc(C#N)c(Cl)c2)CC1 ZINC000425688332 559714969 /nfs/dbraw/zinc/71/49/69/559714969.db2.gz YKMMMUYLNITSPV-UHFFFAOYSA-N 1 0 351.838 2.181 20 30 FEEDRO C=CCn1cc(CNC(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)nn1 ZINC000425870060 559723407 /nfs/dbraw/zinc/72/34/07/559723407.db2.gz GTFZMHXTYQMUNN-UHFFFAOYSA-N 1 0 374.411 2.022 20 30 FEEDRO C[C@@H](CNC(=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1)[NH+](C)C ZINC000425953014 559725955 /nfs/dbraw/zinc/72/59/55/559725955.db2.gz JDYIAOSRTUPVRI-AWEZNQCLSA-N 1 0 366.421 2.355 20 30 FEEDRO C[NH+](C)CC1(C(=O)N2CCN(c3cccc(C#N)n3)CC2)CCCCC1 ZINC000427468275 559756095 /nfs/dbraw/zinc/75/60/95/559756095.db2.gz AZVBQJHIHBWBLS-UHFFFAOYSA-N 1 0 355.486 2.114 20 30 FEEDRO CC[NH+](CC)[C@H](CNS(=O)(=O)c1cccnc1C#N)Cc1ccccc1 ZINC000428272071 559772601 /nfs/dbraw/zinc/77/26/01/559772601.db2.gz RJOSFLPLVOPZGU-KRWDZBQOSA-N 1 0 372.494 2.185 20 30 FEEDRO CC[NH+](CC)Cc1ccc(CNS(=O)(=O)c2cccnc2C#N)cc1 ZINC000428271744 559772606 /nfs/dbraw/zinc/77/26/06/559772606.db2.gz PLUDMFSBEWZHBU-UHFFFAOYSA-N 1 0 358.467 2.274 20 30 FEEDRO Cc1cccc(C)c1OC[C@H](O)C[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000428818667 559784029 /nfs/dbraw/zinc/78/40/29/559784029.db2.gz NOUOXLAKYLSOEF-RTBURBONSA-N 1 0 367.449 2.463 20 30 FEEDRO C[C@H]1C[C@@H](O)CC[N@@H+]1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000429130484 559791324 /nfs/dbraw/zinc/79/13/24/559791324.db2.gz CZEGJWWJIMHIOW-BBRMVZONSA-N 1 0 354.372 2.018 20 30 FEEDRO COC(=O)C[C@](C)([NH2+]CCOc1ccc(C#N)cc1OC)c1ccccn1 ZINC000429672905 559803618 /nfs/dbraw/zinc/80/36/18/559803618.db2.gz FYKTXLRAWRABQX-FQEVSTJZSA-N 1 0 369.421 2.409 20 30 FEEDRO C[NH+](C)CCN(C(=O)C(=O)Nc1ccc(C#N)cc1Cl)C1CCCC1 ZINC000429814819 559806089 /nfs/dbraw/zinc/80/60/89/559806089.db2.gz XEOHHGNUSIDMNU-UHFFFAOYSA-N 1 0 362.861 2.483 20 30 FEEDRO Cc1[nH]nc(NC(=O)c2ccc(CN3C[C@@H](C)O[C@H](C)C3)cc2)c1C#N ZINC000431444382 559839352 /nfs/dbraw/zinc/83/93/52/559839352.db2.gz JXPSNOFDDALECT-CHWSQXEVSA-N 1 0 353.426 2.451 20 30 FEEDRO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(C#N)nc1 ZINC000431889899 559847891 /nfs/dbraw/zinc/84/78/91/559847891.db2.gz ACZVCOXVLQVZAT-WMLDXEAASA-N 1 0 350.488 2.132 20 30 FEEDRO N#Cc1ccccc1NC(=O)CCCC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000432462445 559859265 /nfs/dbraw/zinc/85/92/65/559859265.db2.gz SXNYCRIHXGPLPR-QZTJIDSGSA-N 1 0 354.454 2.410 20 30 FEEDRO C[C@@H]1C[N@H+](CCCNc2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)CCCO1 ZINC000432872876 559866821 /nfs/dbraw/zinc/86/68/21/559866821.db2.gz OOCHJKHGIJHIPZ-CQSZACIVSA-N 1 0 369.425 2.927 20 30 FEEDRO CC[NH+](CC)CCCNS(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000432939991 559868267 /nfs/dbraw/zinc/86/82/67/559868267.db2.gz TVBDPNRXQSLZKE-UHFFFAOYSA-N 1 0 374.304 2.331 20 30 FEEDRO C[C@@H](CN1CCOCC1)[N@H+](C)CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000434711848 559907517 /nfs/dbraw/zinc/90/75/17/559907517.db2.gz RZQLPQZPQBOPJY-AWEZNQCLSA-N 1 0 364.877 2.193 20 30 FEEDRO N#Cc1cccc(NC(=O)CC[N@@H+]2CCNC(=O)C[C@H]2c2ccccc2)c1 ZINC000435957723 559933187 /nfs/dbraw/zinc/93/31/87/559933187.db2.gz YHXXWRSEPUARFF-IBGZPJMESA-N 1 0 362.433 2.450 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)CC(=O)N1CCC(C(=O)OCC)CC1 ZINC000436304974 559939537 /nfs/dbraw/zinc/93/95/37/559939537.db2.gz GFDBLCAQYBLUAD-SUMDDJOVSA-N 1 0 366.502 2.138 20 30 FEEDRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2C(=O)C1(c2cccc(C#N)c2)CC1 ZINC000437956409 559972150 /nfs/dbraw/zinc/97/21/50/559972150.db2.gz OYOYOBZCJAXXIH-QYZOEREBSA-N 1 0 353.466 2.300 20 30 FEEDRO Cc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H]1CCCC[N@H+]1CC(C)C ZINC000439419123 559993545 /nfs/dbraw/zinc/99/35/45/559993545.db2.gz FDVDHLCMNCNLJH-QGZVFWFLSA-N 1 0 356.470 2.432 20 30 FEEDRO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1C[C@@H]2CCC[C@@]2(C(=O)OC(C)(C)C)C1 ZINC000439469445 559994723 /nfs/dbraw/zinc/99/47/23/559994723.db2.gz AAADDBWHXBULKW-TWOQFEAHSA-N 1 0 363.502 2.438 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1C[C@@H](C)O[C@@H](COC)C1)C(C)C ZINC000439699983 559999002 /nfs/dbraw/zinc/99/90/02/559999002.db2.gz QVIVCHADKQWOFM-KZNAEPCWSA-N 1 0 353.507 2.130 20 30 FEEDRO C=CCc1ccccc1OC[C@H](O)C[NH2+][C@]1(CO)CCOc2ccccc21 ZINC000440481794 560011967 /nfs/dbraw/zinc/01/19/67/560011967.db2.gz BYSYUFAPYKILGH-GCJKJVERSA-N 1 0 369.461 2.415 20 30 FEEDRO C[C@@H](CNS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)[N@@H+]1CCCC[C@@H]1C ZINC000443104694 560070636 /nfs/dbraw/zinc/07/06/36/560070636.db2.gz NYSBTDHISMEYOJ-STQMWFEESA-N 1 0 366.443 2.008 20 30 FEEDRO Cc1cc(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)ccc1C#N ZINC000444004423 560099130 /nfs/dbraw/zinc/09/91/30/560099130.db2.gz XTVSUSRWUUMNGG-UHFFFAOYSA-N 1 0 359.407 2.338 20 30 FEEDRO CC(C)(C#N)CCCC[NH+]1CCN(c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000444590442 560116165 /nfs/dbraw/zinc/11/61/65/560116165.db2.gz CBRJGMKJLNTDLQ-UHFFFAOYSA-N 1 0 364.515 2.176 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CC[C@H](OCCOC)C1 ZINC000444749822 560119617 /nfs/dbraw/zinc/11/96/17/560119617.db2.gz VSPPXTSBWYYESP-CVEARBPZSA-N 1 0 352.500 2.389 20 30 FEEDRO C=CCOc1cccc(NC(=O)C(=O)NCC[N@H+]2CCCC(C)(C)C2)c1 ZINC000447433067 560162293 /nfs/dbraw/zinc/16/22/93/560162293.db2.gz YRHIIRSANZXRIN-UHFFFAOYSA-N 1 0 359.470 2.428 20 30 FEEDRO CC(C)[C@](C)(C#N)NC(=O)C[N@H+](Cc1ccccc1)C[C@]1(O)CCO[C@H]1C ZINC000447926734 560173515 /nfs/dbraw/zinc/17/35/15/560173515.db2.gz NDHCSULSQLJQMI-DZFGPLHGSA-N 1 0 373.497 2.083 20 30 FEEDRO C=CCOc1ccc(CC(=O)N2CCC(C[NH+]3CCOCC3)CC2)cc1 ZINC000448715415 560196154 /nfs/dbraw/zinc/19/61/54/560196154.db2.gz DORODDANFFXZJY-UHFFFAOYSA-N 1 0 358.482 2.365 20 30 FEEDRO N#Cc1ccc(OCC(=O)NCC[NH+]2CCCCC2)cc1Br ZINC000449617790 560234947 /nfs/dbraw/zinc/23/49/47/560234947.db2.gz IPRRJIYXJXLOOX-UHFFFAOYSA-N 1 0 366.259 2.302 20 30 FEEDRO N#Cc1c(Br)cccc1OCC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000449831511 560241763 /nfs/dbraw/zinc/24/17/63/560241763.db2.gz WLWXAZOXEUCHJP-LBPRGKRZSA-N 1 0 364.243 2.006 20 30 FEEDRO C[C@@H]1CN([C@@H](CNC(=O)c2ccc(C#N)n2C)c2cccs2)CCO1 ZINC000450047880 560249078 /nfs/dbraw/zinc/24/90/78/560249078.db2.gz WFIICELPYCKVHB-CJNGLKHVSA-N 1 0 358.467 2.150 20 30 FEEDRO C[NH+](C)[C@]1(CNC(=O)c2ccc(Br)cc2C#N)CCSC1 ZINC000450085826 560250218 /nfs/dbraw/zinc/25/02/18/560250218.db2.gz JOGYARRKZLQIHZ-HNNXBMFYSA-N 1 0 368.300 2.488 20 30 FEEDRO C[NH+](C)CCCOc1ccc(CNc2nc3c(cc2C#N)COCC3)cc1 ZINC000450317562 560258375 /nfs/dbraw/zinc/25/83/75/560258375.db2.gz TVGUIXZMPHFZIP-UHFFFAOYSA-N 1 0 366.465 2.969 20 30 FEEDRO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)COc1cccc(Br)c1C#N ZINC000450373622 560260335 /nfs/dbraw/zinc/26/03/35/560260335.db2.gz CZEBEQYYLVAJSI-NWDGAFQWSA-N 1 0 366.259 2.251 20 30 FEEDRO Cc1[nH]c(C#N)cc1C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000450519285 560264986 /nfs/dbraw/zinc/26/49/86/560264986.db2.gz MBXCITCUHCYVAU-GOSISDBHSA-N 1 0 352.438 2.082 20 30 FEEDRO C[C@H]1[C@@H](NC(=O)COc2ccc(C#N)c(Br)c2)CCC[N@@H+]1C ZINC000450545995 560265672 /nfs/dbraw/zinc/26/56/72/560265672.db2.gz CVVLIVMEWCGXTG-NHYWBVRUSA-N 1 0 366.259 2.298 20 30 FEEDRO N#Cc1cc(F)ccc1CS(=O)(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000451074222 560285654 /nfs/dbraw/zinc/28/56/54/560285654.db2.gz OZETUKSOAQFZAA-UHFFFAOYSA-N 1 0 351.447 2.087 20 30 FEEDRO CC[C@@H]1CCCC[N@@H+]1CCNS(=O)(=O)Cc1ccc(F)cc1C#N ZINC000451190568 560292376 /nfs/dbraw/zinc/29/23/76/560292376.db2.gz LILWTQAUVLCJAC-QGZVFWFLSA-N 1 0 353.463 2.381 20 30 FEEDRO COCC[N@H+](C)CCCC1CCN(S(=O)(=O)CC(C)(C)CC#N)CC1 ZINC000451365671 560302873 /nfs/dbraw/zinc/30/28/73/560302873.db2.gz WZNQSKBOUGUOQA-UHFFFAOYSA-N 1 0 373.563 2.326 20 30 FEEDRO N#C[C@H](c1cccs1)N1CCN(C(=O)C[NH+]2CCC(CF)CC2)CC1 ZINC000451394493 560304230 /nfs/dbraw/zinc/30/42/30/560304230.db2.gz PACFLZJOFFVGRN-MRXNPFEDSA-N 1 0 364.490 2.138 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 ZINC000451603746 560317067 /nfs/dbraw/zinc/31/70/67/560317067.db2.gz DRSDDOZBPCYBBA-MSOLQXFVSA-N 1 0 368.437 2.490 20 30 FEEDRO C[C@H]1CN(CC(F)(F)F)CC[N@H+](C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000451880590 560334120 /nfs/dbraw/zinc/33/41/20/560334120.db2.gz WZPXEQDVXIVICT-ZBFHGGJFSA-N 1 0 371.403 2.114 20 30 FEEDRO C[N@H+](CC(=O)Nc1ccc(C#N)cc1)C1CCN(CC(F)(F)F)CC1 ZINC000452032882 560346755 /nfs/dbraw/zinc/34/67/55/560346755.db2.gz OKXXDWBGRVHVDO-UHFFFAOYSA-N 1 0 354.376 2.455 20 30 FEEDRO C[N@H+](CC(=O)Nc1cccc(C#N)c1)C1CCN(CC(F)(F)F)CC1 ZINC000452034518 560346994 /nfs/dbraw/zinc/34/69/94/560346994.db2.gz STGWWMLVYSJWPN-UHFFFAOYSA-N 1 0 354.376 2.455 20 30 FEEDRO CC(C)[C@@](C)(C#N)NC(=O)CN(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000452120564 560352354 /nfs/dbraw/zinc/35/23/54/560352354.db2.gz RRDIUZCOXDIVAO-MRXNPFEDSA-N 1 0 362.440 2.389 20 30 FEEDRO O=C(C[N@H+]1CC[C@H](CCCO)C1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000452122525 560352613 /nfs/dbraw/zinc/35/26/13/560352613.db2.gz HLUFQFCIMIDASN-INIZCTEOSA-N 1 0 368.399 2.268 20 30 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20 30 FEEDRO CN(Cc1c(C#N)cccc1[N+](=O)[O-])C1CC[NH+](CCn2cccn2)CC1 ZINC000459329565 560680123 /nfs/dbraw/zinc/68/01/23/560680123.db2.gz AMSJOSMQMXQAAJ-UHFFFAOYSA-N 1 0 368.441 2.259 20 30 FEEDRO N#CCCCOc1cccc(C[NH2+]CC2(N3CCOCC3)CCOCC2)c1 ZINC000459709451 560703672 /nfs/dbraw/zinc/70/36/72/560703672.db2.gz LAEZVHCYNGFBJP-UHFFFAOYSA-N 1 0 373.497 2.340 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000459870862 560715400 /nfs/dbraw/zinc/71/54/00/560715400.db2.gz RKIZBFQPELBEFQ-DOTOQJQBSA-N 1 0 361.511 2.205 20 30 FEEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CC[C@H]([NH+](CC)CC)C1 ZINC000459964272 560724352 /nfs/dbraw/zinc/72/43/52/560724352.db2.gz ALOPFHIBZJUOAL-IBGZPJMESA-N 1 0 370.497 2.240 20 30 FEEDRO CCCN(CCN1CC[NH+](CC)CC1)C(=O)NCC#Cc1cccc(F)c1 ZINC000460625265 560747394 /nfs/dbraw/zinc/74/73/94/560747394.db2.gz IINLYDATOUKAOH-UHFFFAOYSA-N 1 0 374.504 2.236 20 30 FEEDRO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N(CCC)CCN1CC[NH+](CC)CC1 ZINC000460754700 560750910 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354.498 2.074 20 30 FEEDRO N#Cc1ccc(C[NH2+]C[C@H]2CCCN(c3nccn4cnnc34)C2)c(F)c1 ZINC000533308729 562504611 /nfs/dbraw/zinc/50/46/11/562504611.db2.gz ZDCLPOQOWCKJTP-OAHLLOKOSA-N 1 0 365.416 2.141 20 30 FEEDRO N#Cc1ccc(C[NH2+]C[C@@H]2CCCN(c3nccn4cnnc34)C2)c(F)c1 ZINC000533308728 562504706 /nfs/dbraw/zinc/50/47/06/562504706.db2.gz ZDCLPOQOWCKJTP-HNNXBMFYSA-N 1 0 365.416 2.141 20 30 FEEDRO C[N@H+](CC1CC1)C[C@H]1CCN(S(=O)(=O)c2ccc(F)cc2C#N)C1 ZINC000533553192 562512931 /nfs/dbraw/zinc/51/29/31/562512931.db2.gz OIAOTCAPBIAFSL-CQSZACIVSA-N 1 0 351.447 2.050 20 30 FEEDRO C[NH+]1CCC([C@@H]2CCN(S(=O)(=O)c3ccc(C#N)cc3F)C2)CC1 ZINC000535147922 562552121 /nfs/dbraw/zinc/55/21/21/562552121.db2.gz LDBPXAZFIDCWQB-OAHLLOKOSA-N 1 0 351.447 2.050 20 30 FEEDRO C[NH+]1CCN(c2cc(CNC(=O)c3ccc(Cl)c(C#N)c3)ccn2)CC1 ZINC000540886574 562595708 /nfs/dbraw/zinc/59/57/08/562595708.db2.gz OHOSIQREKRROMF-UHFFFAOYSA-N 1 0 369.856 2.288 20 30 FEEDRO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2C[C@@H]3CC[C@@H](O)[C@H]3C2)cc1 ZINC000541315273 562608794 /nfs/dbraw/zinc/60/87/94/562608794.db2.gz AMTZXAIDCOWHFR-ZYSHUDEJSA-N 1 0 357.454 2.035 20 30 FEEDRO COc1cc(C#N)ccc1NC(=O)C(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000546002675 562632433 /nfs/dbraw/zinc/63/24/33/562632433.db2.gz OOLGWSVKWQRCKC-QGZVFWFLSA-N 1 0 372.469 2.132 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N1CCSC[C@@H](C)C1)C(C)C ZINC000556206497 674392157 /nfs/dbraw/zinc/39/21/57/674392157.db2.gz LBWBMJUTSGGSOM-IRXDYDNUSA-N 1 0 367.559 2.013 20 30 FEEDRO C[N@@H+]1CCC[C@@H](CNC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)C1 ZINC000609470571 567821918 /nfs/dbraw/zinc/82/19/18/567821918.db2.gz BPVFMFZLHWTPIT-IRXDYDNUSA-N 1 0 373.476 2.307 20 30 FEEDRO C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N(C)[C@@H]1CCC[C@H]1C#N ZINC000601853437 567861160 /nfs/dbraw/zinc/86/11/60/567861160.db2.gz AMMSOGKHZYWYCO-HZMVEIRTSA-N 1 0 356.474 2.128 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)Nc1cc(F)cc(C#N)c1)C(C)C ZINC000602024191 567902901 /nfs/dbraw/zinc/90/29/01/567902901.db2.gz VBXHETNCQWFCNK-SFHVURJKSA-N 1 0 372.444 2.451 20 30 FEEDRO Cc1cc(NC(=O)C(=O)N(C)[C@H]2CCC[C@@H]2C#N)ccc1OCC[NH+](C)C ZINC000602061724 567922713 /nfs/dbraw/zinc/92/27/13/567922713.db2.gz GSSJUKQFSQLIRH-WBVHZDCISA-N 1 0 372.469 2.025 20 30 FEEDRO CN(C(=O)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1)[C@@H]1CCC[C@H]1C#N ZINC000602065220 567923776 /nfs/dbraw/zinc/92/37/76/567923776.db2.gz CFFXGTPECIJSGG-PKOBYXMFSA-N 1 0 368.481 2.414 20 30 FEEDRO N#C[C@H]1CC[C@@H](NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@]23CCOC3)C1 ZINC000602166861 567946579 /nfs/dbraw/zinc/94/65/79/567946579.db2.gz LDUOKQHKGYSDMO-JTJHWIPRSA-N 1 0 353.466 2.334 20 30 FEEDRO CC1CC[NH+](C2CCC(NC(=O)N3CCN(CCC#N)CC3)CC2)CC1 ZINC000602290555 567963871 /nfs/dbraw/zinc/96/38/71/567963871.db2.gz QCLJFFPUZSLEOQ-UHFFFAOYSA-N 1 0 361.534 2.270 20 30 FEEDRO C[C@H]1C[N@H+](CCCNC(=O)N2CCc3c(CC#N)cccc3C2)CCCO1 ZINC000602303592 567965099 /nfs/dbraw/zinc/96/50/99/567965099.db2.gz WBHMWABLERBZEP-KRWDZBQOSA-N 1 0 370.497 2.321 20 30 FEEDRO C=CCCNC(=O)C(=O)Nc1cccc(NC(=O)C[NH+]2CCCCCC2)c1 ZINC000658388008 567970831 /nfs/dbraw/zinc/97/08/31/567970831.db2.gz NTGFFAFGNPAWCA-UHFFFAOYSA-N 1 0 372.469 2.132 20 30 FEEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]Cc1cccc(OCC(=O)N(C)C)c1 ZINC000602519448 567987026 /nfs/dbraw/zinc/98/70/26/567987026.db2.gz FIQJBYVURFGTHL-MRXNPFEDSA-N 1 0 359.470 2.342 20 30 FEEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+][C@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000602548083 567990413 /nfs/dbraw/zinc/99/04/13/567990413.db2.gz LSRIVSTWRMQJFJ-CVEARBPZSA-N 1 0 356.470 2.053 20 30 FEEDRO N#CCc1ccc(OC[C@H](O)C[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)cc1 ZINC000602847300 568000519 /nfs/dbraw/zinc/00/05/19/568000519.db2.gz VZOUHDNNHJHCDL-HXUWFJFHSA-N 1 0 366.465 2.100 20 30 FEEDRO C[C@@H](CC#N)NCC(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000602863335 568001038 /nfs/dbraw/zinc/00/10/38/568001038.db2.gz NLZKZHVABWDOQB-KRWDZBQOSA-N 1 0 350.466 2.376 20 30 FEEDRO C[C@@H]1CN(C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C[C@H](C)N1CC#N ZINC000602852597 568001536 /nfs/dbraw/zinc/00/15/36/568001536.db2.gz DCDZXKHTAJWQQI-SVFBPWRDSA-N 1 0 356.514 2.196 20 30 FEEDRO N#CC1(CCC[N@H+](CCN2CCOCC2)[C@@H]2CCSC2)CCOCC1 ZINC000602892485 568007597 /nfs/dbraw/zinc/00/75/97/568007597.db2.gz RVVFTZSGTLIBST-GOSISDBHSA-N 1 0 367.559 2.227 20 30 FEEDRO COc1cc(CN2CCN(CCC#N)CC2)cc(OC)c1OCC(F)F ZINC000602748880 568022563 /nfs/dbraw/zinc/02/25/63/568022563.db2.gz UVFHXLNNRQHMAU-UHFFFAOYSA-N 1 0 369.412 2.379 20 30 FEEDRO N#CC1(NC(=O)C[N@@H+]2CCC[C@@H](Cn3cnc4ccccc43)C2)CCC1 ZINC000602810750 568041998 /nfs/dbraw/zinc/04/19/98/568041998.db2.gz IOPJSMNROREYNO-MRXNPFEDSA-N 1 0 351.454 2.311 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)Nc2cnc(C(=O)OC)c(Cl)c2)CC1 ZINC000603055604 568056146 /nfs/dbraw/zinc/05/61/46/568056146.db2.gz SYICGPOAIIKHKJ-UHFFFAOYSA-N 1 0 352.822 2.294 20 30 FEEDRO Cc1c[nH+]ccc1N1CCC(C(=O)N2C[C@@H](C)N(CC#N)[C@@H](C)C2)CC1 ZINC000603098598 568060277 /nfs/dbraw/zinc/06/02/77/568060277.db2.gz HRKMMBCPMAINIT-CALCHBBNSA-N 1 0 355.486 2.051 20 30 FEEDRO CC(C)C[NH+]1CCC(NC(=O)N[C@@H]2CCOC3(CCOCC3)C2)CC1 ZINC000330272776 568064722 /nfs/dbraw/zinc/06/47/22/568064722.db2.gz YCXKXPFVVVEPSG-QGZVFWFLSA-N 1 0 353.507 2.339 20 30 FEEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)n1cc(C[NH2+]C2CC2)nn1 ZINC000603195668 568072596 /nfs/dbraw/zinc/07/25/96/568072596.db2.gz IWDQFRPQTNFYKV-AWEZNQCLSA-N 1 0 368.441 2.047 20 30 FEEDRO CC[NH2+]Cc1cn(CC(=O)Nc2ccccc2SC[C@H](C)C#N)nn1 ZINC000603214095 568076536 /nfs/dbraw/zinc/07/65/36/568076536.db2.gz BCPAJVOBUYFYAQ-CYBMUJFWSA-N 1 0 358.471 2.278 20 30 FEEDRO N#Cc1ccccc1-c1ccc(CNC(=O)NC[C@@H]2C[NH2+]CCO2)cc1 ZINC000568847715 568236048 /nfs/dbraw/zinc/23/60/48/568236048.db2.gz DNVWTSQYGXGFKH-SFHVURJKSA-N 1 0 350.422 2.013 20 30 FEEDRO C=CCN1C(=O)c2ccc(C(=O)NC3CC[NH+](C(C)(C)C)CC3)cc2C1=O ZINC000617136919 568353656 /nfs/dbraw/zinc/35/36/56/568353656.db2.gz DKFLQIHJWXJPGV-UHFFFAOYSA-N 1 0 369.465 2.461 20 30 FEEDRO C[NH2+]Cc1cccc(NC(=O)N2CCN(c3cnccc3C#N)CC2)c1 ZINC000569944536 568444009 /nfs/dbraw/zinc/44/40/09/568444009.db2.gz OPNQGXVRMDJRRI-UHFFFAOYSA-N 1 0 350.426 2.027 20 30 FEEDRO CC(C)(C)OC(=O)[C@@](C)(O)C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000570085604 568458080 /nfs/dbraw/zinc/45/80/80/568458080.db2.gz USLBTWZYSBZNAA-FQEVSTJZSA-N 1 0 359.470 2.209 20 30 FEEDRO C[C@H]1CN(Cc2ccc(C#N)cc2)CC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC000737196454 598899329 /nfs/dbraw/zinc/89/93/29/598899329.db2.gz JWRLQBSCXNNSID-INIZCTEOSA-N 1 0 373.464 2.445 20 30 FEEDRO C[C@H]([NH2+][C@@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O)c1ccc(C#N)cc1 ZINC000736132421 598959185 /nfs/dbraw/zinc/95/91/85/598959185.db2.gz NTXDUDUKDDLQHL-SCLBCKFNSA-N 1 0 373.420 2.194 20 30 FEEDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1S(=O)(=O)Cc1cc(C#N)ccc1F ZINC000556818674 674422160 /nfs/dbraw/zinc/42/21/60/674422160.db2.gz JFXZUYRKIMWCOE-XJKSGUPXSA-N 1 0 351.447 2.086 20 30 FEEDRO C=CCCC(=O)Nc1cccc(S(=O)(=O)NCCCC[NH+](C)C)c1 ZINC000557171618 674440760 /nfs/dbraw/zinc/44/07/60/674440760.db2.gz IMPZMVDPNPPUKW-UHFFFAOYSA-N 1 0 353.488 2.211 20 30 FEEDRO C[NH+]1CCN(C[C@@H](Nc2nccc(C#N)c2Cl)c2ccccc2)CC1 ZINC000557566350 674454382 /nfs/dbraw/zinc/45/43/82/674454382.db2.gz XYNKKLNCOYHZBN-QGZVFWFLSA-N 1 0 355.873 3.007 20 30 FEEDRO C[C@H]([NH2+][C@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O)c1cccc(C#N)c1 ZINC000820413528 599388600 /nfs/dbraw/zinc/38/86/00/599388600.db2.gz RLKGQPJVJIGHCG-UGSOOPFHSA-N 1 0 373.420 2.194 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2ccc(C[S@@](C)=O)cc2)CC1 ZINC000557838026 674469882 /nfs/dbraw/zinc/46/98/82/674469882.db2.gz BTTGNECVYJRBKW-RUZDIDTESA-N 1 0 363.527 2.405 20 30 FEEDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1S(=O)(=O)Cc1cc(C#N)ccc1F ZINC000557852310 674471003 /nfs/dbraw/zinc/47/10/03/674471003.db2.gz DEYDXYLFUZJBNY-GUYCJALGSA-N 1 0 351.447 2.086 20 30 FEEDRO CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000558781776 674515756 /nfs/dbraw/zinc/51/57/56/674515756.db2.gz AWEGDTGBCJDNPN-BBRMVZONSA-N 1 0 372.922 2.259 20 30 FEEDRO CCN(C[C@H](C)C#N)S(=O)(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000558781786 674515795 /nfs/dbraw/zinc/51/57/95/674515795.db2.gz AWEGDTGBCJDNPN-CJNGLKHVSA-N 1 0 372.922 2.259 20 30 FEEDRO C[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CCN1Cc1ccc(C#N)cc1 ZINC000822000393 606178283 /nfs/dbraw/zinc/17/82/83/606178283.db2.gz NKDPCQVJQNOJKW-MRXNPFEDSA-N 1 0 373.464 2.445 20 30 FEEDRO C#CC[N@H+]1CCC[C@H]1COC(=O)[C@@H](NC(=O)OC(C)(C)C)C(F)(F)F ZINC000810573470 674550998 /nfs/dbraw/zinc/55/09/98/674550998.db2.gz RDMSRXXMCRHBCE-NWDGAFQWSA-N 1 0 364.364 2.083 20 30 FEEDRO C=CC[N@@H+](Cc1ccc2c(c1)nnn2C)Cc1cccc(-c2nn[nH]n2)c1 ZINC000819745630 607173366 /nfs/dbraw/zinc/17/33/66/607173366.db2.gz MWAAGTZAIQKPFZ-UHFFFAOYSA-N 1 0 360.425 2.337 20 30 FEEDRO C=CC[N@H+](Cc1cccc(-c2nn[nH]n2)c1)C[C@@H]1CC(C(=O)OC)=C(C)O1 ZINC000823914651 608003528 /nfs/dbraw/zinc/00/35/28/608003528.db2.gz KRHXYCBURSDAIT-INIZCTEOSA-N 1 0 369.425 2.091 20 30 FEEDRO C=CCSCCNC(=O)C(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000560671023 674608383 /nfs/dbraw/zinc/60/83/83/674608383.db2.gz CYZULRCVEKEKOM-UHFFFAOYSA-N 1 0 367.559 2.136 20 30 FEEDRO C[C@H]([NH3+])[C@H]1CCCCN1S(=O)(=O)c1cccc(Br)c1C#N ZINC000563118333 674848405 /nfs/dbraw/zinc/84/84/05/674848405.db2.gz BQCTUINBKICZID-GXFFZTMASA-N 1 0 372.288 2.211 20 30 FEEDRO C=CCNC(=O)[C@@H](C)[NH+]1CCC2(CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000814646284 674872321 /nfs/dbraw/zinc/87/23/21/674872321.db2.gz WZIJJVRRRHXZOW-OAHLLOKOSA-N 1 0 351.491 2.400 20 30 FEEDRO CC(N=Nc1ncnc2c1c(Br)nn2C)C1CC[NH+](C)CC1 ZINC000814828847 674882576 /nfs/dbraw/zinc/88/25/76/674882576.db2.gz BLBHIQLAKODIGB-UHFFFAOYSA-N 1 0 366.267 2.255 20 30 FEEDRO C#CC[N@@H+](C)CCCNS(=O)(=O)c1cc(Cl)c(OC)cc1Cl ZINC000815082688 674914119 /nfs/dbraw/zinc/91/41/19/674914119.db2.gz DIIKTMCSBTWJOC-UHFFFAOYSA-N 1 0 365.282 2.235 20 30 FEEDRO CNC(=S)C(C(=O)c1cccc([N+](=O)[O-])c1)[n+]1ccc(N(C)C)cc1 ZINC000022733785 670043232 /nfs/dbraw/zinc/04/32/32/670043232.db2.gz KMLVRKFEYFVMAE-UHFFFAOYSA-O 1 0 359.431 2.107 20 30 FEEDRO CCOC(=O)c1[nH]c(C)c(C(=O)C(C(=S)NC)[n+]2ccccc2)c1C ZINC000022734792 670043431 /nfs/dbraw/zinc/04/34/31/670043431.db2.gz TYLRSDQTPNBTMS-UHFFFAOYSA-O 1 0 360.459 2.254 20 30 FEEDRO C[C@@H](O)C[N@@H+]1CCN(Cc2ccc(Br)cc2C#N)[C@H](C)C1 ZINC000565098183 675094448 /nfs/dbraw/zinc/09/44/48/675094448.db2.gz JEWCAWRZGAATRR-CHWSQXEVSA-N 1 0 352.276 2.208 20 30 FEEDRO C[NH+]=C(NCc1ccc(Br)s1)N[C@@H]1CCN(C2CC2)C1 ZINC000083131183 670655514 /nfs/dbraw/zinc/65/55/14/670655514.db2.gz OHCOOCWRUKJXEH-SNVBAGLBSA-N 1 0 357.321 2.412 20 30 FEEDRO CCCCn1c([C@@H](CC)[NH+](C)C)nn(CN2CCO[C@H](C#N)C2)c1=S ZINC000106064794 670808395 /nfs/dbraw/zinc/80/83/95/670808395.db2.gz CCMCQOKBJCNBEZ-HUUCEWRRSA-N 1 0 366.535 2.409 20 30 FEEDRO Cc1cc(C)c(CC[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)c(C)c1 ZINC000571425908 670873112 /nfs/dbraw/zinc/87/31/12/670873112.db2.gz DRQFGNPSJSMIQS-UHFFFAOYSA-N 1 0 357.479 2.485 20 30 FEEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]CCS(=O)(=O)NCc1ccccc1)CC2 ZINC000573131830 671087166 /nfs/dbraw/zinc/08/71/66/671087166.db2.gz CKYFTDYNHDICQF-IBGZPJMESA-N 1 0 355.463 2.255 20 30 FEEDRO N#Cc1csc(CNc2ccc(C[N@H+]3CCC[C@H](C(N)=O)C3)cc2)n1 ZINC000573610439 671143293 /nfs/dbraw/zinc/14/32/93/671143293.db2.gz NJVKHKVUAWBRDG-AWEZNQCLSA-N 1 0 355.467 2.324 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000573653370 671147555 /nfs/dbraw/zinc/14/75/55/671147555.db2.gz SJXSMZCEYLFOSN-MSOLQXFVSA-N 1 0 350.484 2.081 20 30 FEEDRO CN(CCC#N)C[C@H](O)C[NH2+]Cc1cccc(Br)c1Cl ZINC000574071685 671199023 /nfs/dbraw/zinc/19/90/23/671199023.db2.gz JLUQNOCHCVAYTC-GFCCVEGCSA-N 1 0 360.683 2.398 20 30 FEEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+]CCC[C@@H]2CCCC[C@@H]2O)c1 ZINC000574323754 671226809 /nfs/dbraw/zinc/22/68/09/671226809.db2.gz ILSITTWIWYURGM-WMZOPIPTSA-N 1 0 350.484 2.253 20 30 FEEDRO CCOC(=O)c1ncn(C2CC[NH+](Cc3ccc(C#N)s3)CC2)c1N ZINC000575193029 671304307 /nfs/dbraw/zinc/30/43/07/671304307.db2.gz WCXJTCPEAMYRHW-UHFFFAOYSA-N 1 0 359.455 2.412 20 30 FEEDRO C[C@@H](O)C[N@@H+]1CCN(c2cc(Br)c(C#N)cc2F)[C@H](C)C1 ZINC000576621214 671382149 /nfs/dbraw/zinc/38/21/49/671382149.db2.gz YOHKVFBOQGASKW-GHMZBOCLSA-N 1 0 356.239 2.351 20 30 FEEDRO C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C)C[N@@H+](C)CCCC)cc1 ZINC000576630415 671382895 /nfs/dbraw/zinc/38/28/95/671382895.db2.gz SYGKAFAWUXHPIA-HNNXBMFYSA-N 1 0 367.515 2.001 20 30 FEEDRO C[C@H]1CCCN(C(C)(C)C[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000576749205 671391403 /nfs/dbraw/zinc/39/14/03/671391403.db2.gz PFKMNJLRFJZHGD-INIZCTEOSA-N 1 0 363.527 2.432 20 30 FEEDRO CCC(CC)[C@H]1C[C@@H]([NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)CCO1 ZINC000577099573 671416642 /nfs/dbraw/zinc/41/66/42/671416642.db2.gz DPRBJSSOISJIFW-DLBZAZTESA-N 1 0 365.499 2.300 20 30 FEEDRO C[C@H](CNC(=O)C(=O)Nc1ccccc1SCCC#N)[NH+]1CCCC1 ZINC000609400942 675921469 /nfs/dbraw/zinc/92/14/69/675921469.db2.gz HDBFDPAMENSANF-CQSZACIVSA-N 1 0 360.483 2.231 20 30 FEEDRO CC(C)C[C@H](CNS(=O)(=O)N(C)CCC#N)[NH2+][C@@H](C)c1ccccc1 ZINC000609545885 675925672 /nfs/dbraw/zinc/92/56/72/675925672.db2.gz RMEVTPTXJYFVEZ-FUHWJXTLSA-N 1 0 366.531 2.432 20 30 FEEDRO CN(CCC#N)C[C@@H](O)C[NH2+][C@H]1CCOc2c(Br)cccc21 ZINC000578620109 671677843 /nfs/dbraw/zinc/67/78/43/671677843.db2.gz OVZFMJPDMIQBRO-WFASDCNBSA-N 1 0 368.275 2.069 20 30 FEEDRO C[N@H+](CCc1ccccc1)[C@@H]1CCN(S(=O)(=O)CC2(CC#N)CC2)C1 ZINC000579615602 671748746 /nfs/dbraw/zinc/74/87/46/671748746.db2.gz NHNKYHFGFQCEDG-GOSISDBHSA-N 1 0 361.511 2.259 20 30 FEEDRO Cc1ncc(S(=O)(=O)NC[C@@H]([NH3+])c2ccc(C(C)C)cc2)cc1C#N ZINC000579615759 671748826 /nfs/dbraw/zinc/74/88/26/671748826.db2.gz RVNCBLZCSQGIID-GOSISDBHSA-N 1 0 358.467 2.363 20 30 FEEDRO CC[NH+](CC)CC#C[C@@H](C)OC(=O)c1ccc(S(=O)(=O)CC)cc1 ZINC000121416362 671949175 /nfs/dbraw/zinc/94/91/75/671949175.db2.gz DSISLDRSUZUWGY-OAHLLOKOSA-N 1 0 351.468 2.371 20 30 FEEDRO CC(C)[NH2+]CCCNC(=O)C(=O)Nc1sc(C(C)(C)C)cc1C#N ZINC000582893037 672043685 /nfs/dbraw/zinc/04/36/85/672043685.db2.gz LLOAPSNUMGHLHV-UHFFFAOYSA-N 1 0 350.488 2.360 20 30 FEEDRO CCc1cc[n+](C(C(=O)c2cccc(C(=O)OC)c2)C(=S)NC)cc1 ZINC000133504528 672111749 /nfs/dbraw/zinc/11/17/49/672111749.db2.gz HKSSBFWDQKNLFC-UHFFFAOYSA-O 1 0 357.455 2.481 20 30 FEEDRO CCO[C@@H]1C[C@H]([NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)C1(CC)CC ZINC000584017538 672147704 /nfs/dbraw/zinc/14/77/04/672147704.db2.gz WKLKXMGSBQWGQQ-JKSUJKDBSA-N 1 0 365.499 2.300 20 30 FEEDRO C[NH+]=C(NCc1scnc1C)N[C@H]1CCN(c2ncccc2Cl)C1 ZINC000158962351 672275346 /nfs/dbraw/zinc/27/53/46/672275346.db2.gz FRMZAMLEPGEVDL-LBPRGKRZSA-N 1 0 364.906 2.444 20 30 FEEDRO C[NH+]=C(NCc1ccnc(C)n1)NC[C@H](O)c1cc2ccccc2s1 ZINC000159079137 672277064 /nfs/dbraw/zinc/27/70/64/672277064.db2.gz WRNDJHMKHWQDIJ-HNNXBMFYSA-N 1 0 355.467 2.398 20 30 FEEDRO C#CCNC(=O)[C@H](C)[N@H+](CC)CCOc1ccc(Br)cc1 ZINC000159638809 672283915 /nfs/dbraw/zinc/28/39/15/672283915.db2.gz LXNCNPPPNHBAHQ-ZDUSSCGKSA-N 1 0 353.260 2.288 20 30 FEEDRO CC(C)CCC[C@@H](C)NC(=[NH2+])NCCNS(=O)(=O)c1cccs1 ZINC000160472131 672291425 /nfs/dbraw/zinc/29/14/25/672291425.db2.gz VEZNMIJWPVDOCQ-CYBMUJFWSA-N 1 0 360.549 2.146 20 30 FEEDRO CC1(C)CN(CCNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)CCO1 ZINC000170912876 672327019 /nfs/dbraw/zinc/32/70/19/672327019.db2.gz SAVDFQKQQTYSMK-UHFFFAOYSA-N 1 0 360.380 2.423 20 30 FEEDRO CCOC(=O)N[C@@H](CNC(=[NH2+])NCc1ccccc1OC)CC(C)C ZINC000170906875 672327055 /nfs/dbraw/zinc/32/70/55/672327055.db2.gz QQGZFJDQBIBPAP-OAHLLOKOSA-N 1 0 350.463 2.260 20 30 FEEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@@H](C)CS(=O)(=O)CC)ccc1OC ZINC000183257092 672463796 /nfs/dbraw/zinc/46/37/96/672463796.db2.gz PODMCFRJLKTYPT-DZGCQCFKSA-N 1 0 354.472 2.289 20 30 FEEDRO COCC[N@@H+]1CCC[C@H](NC(=O)c2ccc(Br)cc2C#N)C1 ZINC000590633203 672597906 /nfs/dbraw/zinc/59/79/06/672597906.db2.gz ARLUOJGUAGXNFR-AWEZNQCLSA-N 1 0 366.259 2.161 20 30 FEEDRO C[C@H](CO)C[NH+]1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 ZINC000611530643 676042769 /nfs/dbraw/zinc/04/27/69/676042769.db2.gz DNNZILOWXDJQPZ-XJKSGUPXSA-N 1 0 352.276 2.260 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)NC2CC[NH+](CC3CC3)CC2)cc1Cl ZINC000193907494 672740740 /nfs/dbraw/zinc/74/07/40/672740740.db2.gz LHYBCSFVUYNZQP-UHFFFAOYSA-N 1 0 353.875 2.364 20 30 FEEDRO N#Cc1cnn2cc(C[NH2+]C[C@@]3(O)CCC[C@H](C(F)(F)F)C3)cnc12 ZINC000592509535 672809152 /nfs/dbraw/zinc/80/91/52/672809152.db2.gz YMLNVNDRWSWHMK-DZGCQCFKSA-N 1 0 353.348 2.174 20 30 FEEDRO CCc1cnc(CNC(=[NH+]C)N2CC(=O)N(C(C)C)C(C)(C)C2)s1 ZINC000261648212 672900448 /nfs/dbraw/zinc/90/04/48/672900448.db2.gz ATXCACJMVJSHSL-UHFFFAOYSA-N 1 0 351.520 2.112 20 30 FEEDRO C[NH+]=C(NCCc1c(C)nn(C)c1C)N1CCN(c2cccs2)CC1 ZINC000261740541 672902056 /nfs/dbraw/zinc/90/20/56/672902056.db2.gz KQGGRQXEMUEFCB-UHFFFAOYSA-N 1 0 360.531 2.039 20 30 FEEDRO CC[C@@H]1CN(C(NC[C@@H]2CCN(CC(F)(F)F)C2)=[NH+]C)CCS1 ZINC000261918434 672905159 /nfs/dbraw/zinc/90/51/59/672905159.db2.gz KCSSFSGPTRGHPA-QWHCGFSZSA-N 1 0 352.470 2.273 20 30 FEEDRO CC(C)N(C)S(=O)(=O)c1ccc(CNC(=[NH2+])NC2CCCCC2)cc1 ZINC000261981437 672906347 /nfs/dbraw/zinc/90/63/47/672906347.db2.gz IBTSKQOLXUNWIV-UHFFFAOYSA-N 1 0 366.531 2.453 20 30 FEEDRO [NH2+]=C(NCc1cc2ccccc2s1)N1CCN(c2ncccn2)CC1 ZINC000261980739 672906493 /nfs/dbraw/zinc/90/64/93/672906493.db2.gz HWKQOBZPLZLCLV-UHFFFAOYSA-N 1 0 352.467 2.328 20 30 FEEDRO C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2)N1CCN(c2cccs2)CC1 ZINC000262002163 672907378 /nfs/dbraw/zinc/90/73/78/672907378.db2.gz USGOTCDBINOZTL-USXIJHARSA-N 1 0 360.527 2.403 20 30 FEEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)CSc3nncs3)CC2)c1 ZINC000593353887 672912905 /nfs/dbraw/zinc/91/29/05/672912905.db2.gz HAOVNYMSUAPRSM-UHFFFAOYSA-N 1 0 373.507 2.283 20 30 FEEDRO O=S1(=O)CC[C@H](CNC(=[NH+]C2CC2)N2CCC3(C2)CCCCC3)C1 ZINC000262339424 672913480 /nfs/dbraw/zinc/91/34/80/672913480.db2.gz CHEULLZSOBSQNN-OAHLLOKOSA-N 1 0 353.532 2.185 20 30 FEEDRO Cc1cc(Br)cn2cc(CNC(=[NH2+])N3CCSCC3)nc12 ZINC000262347170 672913946 /nfs/dbraw/zinc/91/39/46/672913946.db2.gz FCLZSSZKICCVQF-UHFFFAOYSA-N 1 0 368.304 2.269 20 30 FEEDRO CC(C)[C@@H]1CCC[C@H](NC(NC[C@@H]2CCS(=O)(=O)C2)=[NH+]C2CC2)C1 ZINC000262401073 672915142 /nfs/dbraw/zinc/91/51/42/672915142.db2.gz NQTGCCRPFRJAIG-UXLLHSPISA-N 1 0 355.548 2.334 20 30 FEEDRO CC(C)[C@@H]1CCC[C@H](NC(NC[C@H]2CCS(=O)(=O)C2)=[NH+]C2CC2)C1 ZINC000262401071 672915218 /nfs/dbraw/zinc/91/52/18/672915218.db2.gz NQTGCCRPFRJAIG-INMHGKMJSA-N 1 0 355.548 2.334 20 30 FEEDRO [NH2+]=C(NCc1ccc(OC(F)(F)F)cc1)N[C@H]1CCn2ccnc2C1 ZINC000262456651 672916391 /nfs/dbraw/zinc/91/63/91/672916391.db2.gz HVZSTACPBAFTJB-LBPRGKRZSA-N 1 0 353.348 2.201 20 30 FEEDRO C[C@@H]1C[C@H](C)CN(C(NC[C@H]2CCS(=O)(=O)C2)=[NH+]C2CCCC2)C1 ZINC000262477443 672916982 /nfs/dbraw/zinc/91/69/82/672916982.db2.gz ZZTDKBPPODOFAT-OWCLPIDISA-N 1 0 355.548 2.287 20 30 FEEDRO C[C@@H](CNC(=[NH2+])N1CCO[C@@H](C)C1)Oc1ccccc1Br ZINC000262502757 672917050 /nfs/dbraw/zinc/91/70/50/672917050.db2.gz YYPSVIOVZDFXJG-RYUDHWBXSA-N 1 0 356.264 2.252 20 30 FEEDRO COc1ccc(NC(=[NH2+])NCC2(S(C)(=O)=O)CCCC2)cc1Cl ZINC000262670964 672919018 /nfs/dbraw/zinc/91/90/18/672919018.db2.gz QXFZFDXCWWZDDY-UHFFFAOYSA-N 1 0 359.879 2.433 20 30 FEEDRO C[C@H](CNC(=O)Cc1ccc(Br)cc1C#N)[NH+]1CCCC1 ZINC000593451086 672925061 /nfs/dbraw/zinc/92/50/61/672925061.db2.gz UABCLZMZNKXNKH-GFCCVEGCSA-N 1 0 350.260 2.464 20 30 FEEDRO [NH2+]=C(NCc1nc(-c2cccc(Br)c2)no1)NC1CCC1 ZINC000263133767 672928728 /nfs/dbraw/zinc/92/87/28/672928728.db2.gz NKQOVKJDFLLXKU-UHFFFAOYSA-N 1 0 350.220 2.456 20 30 FEEDRO C[NH+](C)[C@]1(CNS(=O)(=O)c2ccc(C(C)(C)C#N)cc2)CCSC1 ZINC000593556168 672941589 /nfs/dbraw/zinc/94/15/89/672941589.db2.gz IGNWGZDTBPNPJF-KRWDZBQOSA-N 1 0 367.540 2.203 20 30 FEEDRO CN(CC[N@H+](C)C1CC1)C(=O)Cc1ccc(Br)cc1C#N ZINC000593613527 672958246 /nfs/dbraw/zinc/95/82/46/672958246.db2.gz LKVGYVNNASDACU-UHFFFAOYSA-N 1 0 350.260 2.416 20 30 FEEDRO N#Cc1cc(S(=O)(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)ccc1C(F)(F)F ZINC000593734515 672984724 /nfs/dbraw/zinc/98/47/24/672984724.db2.gz LXBSOUQJKYWGHH-WFASDCNBSA-N 1 0 373.400 2.327 20 30 FEEDRO CCC(CC)[C@@H](CNC(=[NH2+])NCCc1cccs1)N1CCOCC1 ZINC000303789762 673017625 /nfs/dbraw/zinc/01/76/25/673017625.db2.gz VSHHLFSSBCHZPO-QGZVFWFLSA-N 1 0 352.548 2.332 20 30 FEEDRO CCc1cccc(CC)c1NC(=[NH2+])NCCCN(C)S(=O)(=O)CC ZINC000303905891 673018845 /nfs/dbraw/zinc/01/88/45/673018845.db2.gz VSDXVIWJXYZETL-UHFFFAOYSA-N 1 0 354.520 2.210 20 30 FEEDRO CC(C)(C)NC(=[NH2+])NCCCNC(=O)c1cccc(Br)c1 ZINC000303990375 673019815 /nfs/dbraw/zinc/01/98/15/673019815.db2.gz YLDXQSRYFUVMJB-UHFFFAOYSA-N 1 0 355.280 2.272 20 30 FEEDRO CCc1cccc(CC)c1NC(=[NH2+])NCCS(=O)(=O)NCC1CCC1 ZINC000304765119 673020731 /nfs/dbraw/zinc/02/07/31/673020731.db2.gz YWQYLFGDIFXHRU-UHFFFAOYSA-N 1 0 366.531 2.258 20 30 FEEDRO CC(C)CCC[C@H](C)NC(=[NH2+])NCCN(C)S(=O)(=O)c1cccs1 ZINC000305207899 673021521 /nfs/dbraw/zinc/02/15/21/673021521.db2.gz ORZNQDQQJNUOMW-AWEZNQCLSA-N 1 0 374.576 2.488 20 30 FEEDRO CC(C)(C)OC(=O)N1CCN(C(=[NH2+])NCCC[C@@H]2CCCCO2)CC1 ZINC000305837906 673022001 /nfs/dbraw/zinc/02/20/01/673022001.db2.gz XSPZLAQGYQRNHZ-HNNXBMFYSA-N 1 0 354.495 2.203 20 30 FEEDRO C[C@@H](NC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1)c1cncc(F)c1 ZINC000328667962 673064964 /nfs/dbraw/zinc/06/49/64/673064964.db2.gz DKNMCVASMKFHSO-HUUCEWRRSA-N 1 0 350.438 2.240 20 30 FEEDRO C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)[C@H]([NH3+])CCCCC#N ZINC000594430332 673070675 /nfs/dbraw/zinc/07/06/75/673070675.db2.gz ZOFWARFODLAOPU-XJKSGUPXSA-N 1 0 351.472 2.021 20 30 FEEDRO CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)[C@@H]([NH3+])CCCCC#N)c1 ZINC000594426808 673070864 /nfs/dbraw/zinc/07/08/64/673070864.db2.gz SDSUJWUOSUSQGX-HNNXBMFYSA-N 1 0 366.487 2.113 20 30 FEEDRO COC(=O)C[C@H](NC(=O)[C@@H]([NH3+])CCCCC#N)c1ccc(Cl)cc1 ZINC000594432438 673071353 /nfs/dbraw/zinc/07/13/53/673071353.db2.gz AGPYCIJHLGWDSY-GJZGRUSLSA-N 1 0 351.834 2.472 20 30 FEEDRO C[C@H](NC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)[C@@H]1CCCCO1 ZINC000329480780 673077981 /nfs/dbraw/zinc/07/79/81/673077981.db2.gz PHZVJKBBKOHQCT-RANZSIQMSA-N 1 0 353.507 2.216 20 30 FEEDRO CC(C)CC[NH+]1CCC(CNC(=O)N2CCS(=O)(=O)C(C)(C)C2)CC1 ZINC000329790581 673083619 /nfs/dbraw/zinc/08/36/19/673083619.db2.gz CVUCQWFAEIUQAX-UHFFFAOYSA-N 1 0 373.563 2.168 20 30 FEEDRO C[C@H](CNC(=O)N1CCC(O[C@@H]2CCOC2)CC1)[NH+]1CCC(C)CC1 ZINC000330166841 673086356 /nfs/dbraw/zinc/08/63/56/673086356.db2.gz VLOIIRVUDOHAMT-SJLPKXTDSA-N 1 0 353.507 2.291 20 30 FEEDRO CC(C)CS(=O)(=O)N1CCC(NC(=O)[C@H]2CCC[N@@H+]2C2CC2)CC1 ZINC000330246524 673087956 /nfs/dbraw/zinc/08/79/56/673087956.db2.gz YGWPGZHITKPLFJ-MRXNPFEDSA-N 1 0 357.520 2.020 20 30 FEEDRO CC(C)(C)[N@@H+]1CC[C@@H](CNS(=O)(=O)Cc2ccc(F)cc2C#N)C1 ZINC000594788104 673142550 /nfs/dbraw/zinc/14/25/50/673142550.db2.gz DVYSESRJANRDNO-ZDUSSCGKSA-N 1 0 353.463 2.237 20 30 FEEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCC[C@H](C)[NH+](C)C ZINC000595126464 673198406 /nfs/dbraw/zinc/19/84/06/673198406.db2.gz YGAJDMUJSWLSPJ-KBPBESRZSA-N 1 0 362.499 2.476 20 30 FEEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCC[C@H](C)[NH+](C)C ZINC000595126466 673198410 /nfs/dbraw/zinc/19/84/10/673198410.db2.gz YGAJDMUJSWLSPJ-UONOGXRCSA-N 1 0 362.499 2.476 20 30 FEEDRO C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)Cc1ccc(OCC#N)cc1 ZINC000729267025 673230716 /nfs/dbraw/zinc/23/07/16/673230716.db2.gz HWALRIMPKYOPBC-CQSZACIVSA-N 1 0 359.451 2.429 20 30 FEEDRO N#CCc1ccc(CS(=O)(=O)NC[C@@H]2CCC[N@H+](CC3CC3)C2)cc1 ZINC000595410478 673245626 /nfs/dbraw/zinc/24/56/26/673245626.db2.gz MMYVYHSALWFABU-IBGZPJMESA-N 1 0 361.511 2.294 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)[C@H](CCSC)NC(=O)OC(C)(C)C)CC1 ZINC000729977183 673255671 /nfs/dbraw/zinc/25/56/71/673255671.db2.gz MRPWNHVVISXAMP-HNNXBMFYSA-N 1 0 371.547 2.399 20 30 FEEDRO CCCOc1ccc(C=NNC(=S)NCCC[NH+](C)C)cc1OC ZINC000731930553 673348603 /nfs/dbraw/zinc/34/86/03/673348603.db2.gz BVDCZEAJPZCIBA-UHFFFAOYSA-N 1 0 352.504 2.234 20 30 FEEDRO CN(c1ccc(OCC[NH+](C)C)cc1)S(=O)(=O)c1cccc(C#N)c1 ZINC000732222498 673359073 /nfs/dbraw/zinc/35/90/73/673359073.db2.gz WPCCHKSSXGIACH-UHFFFAOYSA-N 1 0 359.451 2.324 20 30 FEEDRO N#Cc1c(Br)cccc1N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000596541487 673392715 /nfs/dbraw/zinc/39/27/15/673392715.db2.gz YECSKFNAXNWWDK-CYBMUJFWSA-N 1 0 350.260 2.356 20 30 FEEDRO C=CCOc1ccc(C[NH2+]CCCN2CCCS2(=O)=O)cc1Cl ZINC000596676513 673403439 /nfs/dbraw/zinc/40/34/39/673403439.db2.gz WWMCQUQKPYUXLS-UHFFFAOYSA-N 1 0 358.891 2.420 20 30 FEEDRO CC(C)C[C@H](NC(=O)CCCCCC#N)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000597692568 673499701 /nfs/dbraw/zinc/49/97/01/673499701.db2.gz QJRUHUREBUULKZ-SJORKVTESA-N 1 0 350.507 2.154 20 30 FEEDRO CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)c3ccc(Cl)c(C#N)c3)C2)CC1 ZINC000542763209 673603297 /nfs/dbraw/zinc/60/32/97/673603297.db2.gz MNQLXKZMWOSOMW-QGZVFWFLSA-N 1 0 360.889 2.452 20 30 FEEDRO CC(C)(C#N)C[C@@H](O)C[NH2+][C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000598722971 673603436 /nfs/dbraw/zinc/60/34/36/673603436.db2.gz FELOYHHDQPIUOO-IUODEOHRSA-N 1 0 353.825 2.475 20 30 FEEDRO N#CC1(C[C@H](O)C[N@@H+]2CCCC[C@@H]2[C@@H]2CCCC[C@H]2O)CCOCC1 ZINC000599392947 673668644 /nfs/dbraw/zinc/66/86/44/673668644.db2.gz CGMLUQWZGJAONH-INDMIFKZSA-N 1 0 350.503 2.463 20 30 FEEDRO C[C@@H]1CC(N=Nc2ncnc3c2c(Br)nn3C)CC[N@@H+]1C ZINC000741465221 673688009 /nfs/dbraw/zinc/68/80/09/673688009.db2.gz YVOPEEAPHQIWNF-MRVPVSSYSA-N 1 0 352.240 2.008 20 30 FEEDRO CC1(C)CCC[C@@](CO)([NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000599592827 673695036 /nfs/dbraw/zinc/69/50/36/673695036.db2.gz AHPLKOVLGZHYBG-GOSISDBHSA-N 1 0 350.484 2.253 20 30 FEEDRO C=CCNC(=O)NC(=O)C[NH2+][C@@H](CN(C)C)c1ccc(Cl)c(Cl)c1 ZINC000599628956 673699493 /nfs/dbraw/zinc/69/94/93/673699493.db2.gz VZLOGFCZCYEVSR-AWEZNQCLSA-N 1 0 373.284 2.198 20 30 FEEDRO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CC[NH+](CCCF)CC1 ZINC000599666841 673703835 /nfs/dbraw/zinc/70/38/35/673703835.db2.gz DGQHYHGONZUBRJ-HFCFLWKCSA-N 1 0 352.498 2.283 20 30 FEEDRO COc1cc(NC(=O)N2C[C@@H](SC)[C@H]([NH+](C)C)C2)c(F)cc1C#N ZINC000599813949 673720024 /nfs/dbraw/zinc/72/00/24/673720024.db2.gz BOQIGJMZEQXKDJ-UKRRQHHQSA-N 1 0 352.435 2.215 20 30 FEEDRO COc1ccc(C[NH2+]Cc2ccc(N(C)S(C)(=O)=O)cc2)cc1C#N ZINC000742370962 673725870 /nfs/dbraw/zinc/72/58/70/673725870.db2.gz WBIZQHNKVDEVIM-UHFFFAOYSA-N 1 0 359.451 2.252 20 30 FEEDRO N#CCc1ccc(CNC(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1 ZINC000599925254 673728165 /nfs/dbraw/zinc/72/81/65/673728165.db2.gz VDLBUTGMTHEMDY-CABCVRRESA-N 1 0 354.376 2.421 20 30 FEEDRO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000600668800 673790127 /nfs/dbraw/zinc/79/01/27/673790127.db2.gz APNYIFQXKZMIBC-FOLVSLTJSA-N 1 0 361.492 2.262 20 30 FEEDRO N#C[C@H](c1cccs1)N1CCN(C(=O)C[N@@H+]2CC[C@@H]3CCC[C@@H]32)CC1 ZINC000614600341 676182913 /nfs/dbraw/zinc/18/29/13/676182913.db2.gz FXZBJXRFDSMFJC-YESZJQIVSA-N 1 0 358.511 2.331 20 30 FEEDRO N#CC1(C[C@@H](O)C[NH2+]C[C@@H](c2ccc(Cl)cc2)N2CCOCC2)CC1 ZINC000600721961 673794195 /nfs/dbraw/zinc/79/41/95/673794195.db2.gz OYGBNUXECQHYMQ-MSOLQXFVSA-N 1 0 363.889 2.358 20 30 FEEDRO N#CC1(C[C@H](O)C[NH2+]Cc2cc(Br)c3c(c2)OCCO3)CC1 ZINC000600723956 673794840 /nfs/dbraw/zinc/79/48/40/673794840.db2.gz ZYIJRGJZVJPJLP-LBPRGKRZSA-N 1 0 367.243 2.365 20 30 FEEDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2c(C)cc(F)cc2C#N)C[C@H]1C ZINC000601355529 673847152 /nfs/dbraw/zinc/84/71/52/673847152.db2.gz TXCIVFPXWPNVAT-CZUORRHYSA-N 1 0 353.463 2.499 20 30 FEEDRO N#Cc1ccc(Cl)cc1NC(=O)CN1CCC[C@@H](n2ccnn2)CC1 ZINC000602888427 673912562 /nfs/dbraw/zinc/91/25/62/673912562.db2.gz MSKHFGHBQCMEFT-OAHLLOKOSA-N 1 0 358.833 2.469 20 30 FEEDRO CO[C@@H]1C[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)[C@@](C)(CO)C1 ZINC000602964736 673914750 /nfs/dbraw/zinc/91/47/50/673914750.db2.gz SXUOAMDDXYDTOK-WMLDXEAASA-N 1 0 351.834 2.012 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(C)oc2C(F)(F)F)c1C#N ZINC000548111753 673924221 /nfs/dbraw/zinc/92/42/21/673924221.db2.gz SUFMXLXUVZCPJB-UHFFFAOYSA-N 1 0 355.320 2.606 20 30 FEEDRO C[NH+]1CCC2(CCN(S(=O)(=O)c3ccc(C#N)c(Cl)c3)C2)CC1 ZINC000603378980 673927740 /nfs/dbraw/zinc/92/77/40/673927740.db2.gz JOCZAJOSTMIHCE-UHFFFAOYSA-N 1 0 353.875 2.318 20 30 FEEDRO CCOC(=O)[C@@H]1[C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)CCN1C(=O)OC(C)(C)C ZINC000818357224 675216046 /nfs/dbraw/zinc/21/60/46/675216046.db2.gz WXAZHCKLFWDEBI-YJNKXOJESA-N 1 0 351.447 2.209 20 30 FEEDRO C#CC[N@@H+](C)CCCNC(=O)[C@H](NC(=O)c1ccc(Cl)s1)C(C)C ZINC000818615286 675228930 /nfs/dbraw/zinc/22/89/30/675228930.db2.gz GRGMYDDUUFRWBT-OAHLLOKOSA-N 1 0 369.918 2.227 20 30 FEEDRO C#CCSCC[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000819092844 675259862 /nfs/dbraw/zinc/25/98/62/675259862.db2.gz GCQAPCYCUQUWNC-CYBMUJFWSA-N 1 0 362.264 2.284 20 30 FEEDRO C[NH+]1CCN(C[C@H](NC(=O)c2cscc2C#N)c2ccccc2)CC1 ZINC000567026985 675261381 /nfs/dbraw/zinc/26/13/81/675261381.db2.gz KMRRWYUMYUXTGD-SFHVURJKSA-N 1 0 354.479 2.338 20 30 FEEDRO N#CCc1ccc(OC[C@H](O)C[NH2+][C@@H]2CC[C@H]3SCCS[C@H]23)cc1 ZINC000819197000 675268824 /nfs/dbraw/zinc/26/88/24/675268824.db2.gz GPGBWFKFQJIDPT-VDHUWJSZSA-N 1 0 364.536 2.462 20 30 FEEDRO C=CCS(=O)(=O)CC[NH2+]CCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000819221028 675271090 /nfs/dbraw/zinc/27/10/90/675271090.db2.gz AJBBVZLZVXJCRF-UHFFFAOYSA-N 1 0 364.389 2.224 20 30 FEEDRO C#C[C@H](NC(=O)N1CC[N@H+](CCO)C(C)(C)C1)c1ccc(Cl)cc1F ZINC000820751302 675385225 /nfs/dbraw/zinc/38/52/25/675385225.db2.gz WJYLHOAEHYYGEI-INIZCTEOSA-N 1 0 367.852 2.252 20 30 FEEDRO C#C[C@H](NC(=O)COC1CC[NH+](C)CC1)c1ccc(Br)cc1 ZINC000820936753 675400306 /nfs/dbraw/zinc/40/03/06/675400306.db2.gz PBKMUVKFBRQIEA-INIZCTEOSA-N 1 0 365.271 2.350 20 30 FEEDRO C#CCN(CC(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1)C(=O)OC(C)(C)C ZINC000824627167 675613992 /nfs/dbraw/zinc/61/39/92/675613992.db2.gz IONVPFVZJGQFFW-MRXNPFEDSA-N 1 0 351.491 2.093 20 30 FEEDRO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000603909469 675802068 /nfs/dbraw/zinc/80/20/68/675802068.db2.gz AMWVTMJLUKDUMX-RDBSUJKOSA-N 1 0 358.511 2.367 20 30 FEEDRO C[C@H](C[N@H+](C)CC#CCN1C(=O)c2ccccc2C1=O)c1nccs1 ZINC000625313561 676638760 /nfs/dbraw/zinc/63/87/60/676638760.db2.gz MHZVLLCXSVLXGP-CQSZACIVSA-N 1 0 353.447 2.478 20 30 FEEDRO C=CC(C)(C)CCNC(=O)C(=O)N(CC[NH+](C)C)Cc1ccsc1 ZINC000625637375 676664250 /nfs/dbraw/zinc/66/42/50/676664250.db2.gz LZNCDNNWVNJYSY-UHFFFAOYSA-N 1 0 351.516 2.357 20 30 FEEDRO C=CCOc1c(Cl)cc(CN2CC([N@@H+]3CC[C@@H](O)C3)C2)cc1OC ZINC000628325530 676798137 /nfs/dbraw/zinc/79/81/37/676798137.db2.gz QQVNBOIRYBMLRU-OAHLLOKOSA-N 1 0 352.862 2.164 20 30 FEEDRO C=CCc1ccccc1OC[C@H](O)C[NH2+]CCc1cn2c(n1)SCC2 ZINC000644623619 677246836 /nfs/dbraw/zinc/24/68/36/677246836.db2.gz QXUOVONSLWFUHU-QGZVFWFLSA-N 1 0 359.495 2.289 20 30 FEEDRO C=CC[C@H]1CC[C@H]([NH2+]Cc2ccc(S(=O)(=O)NCCOC)cc2)C1 ZINC000651690650 677445015 /nfs/dbraw/zinc/44/50/15/677445015.db2.gz OTWZRLDKCWHFPX-RDJZCZTQSA-N 1 0 352.500 2.446 20 30 FEEDRO C=CC[C@H]1CCCN(C(=O)C(=O)N(CC[NH+](C)C)Cc2ccsc2)C1 ZINC000658752867 678123427 /nfs/dbraw/zinc/12/34/27/678123427.db2.gz RTCVUSFAFMKRIV-INIZCTEOSA-N 1 0 363.527 2.453 20 30 FEEDRO C=CCN1CC[C@@H]([N@H+](C)CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1=O ZINC000839591519 680764396 /nfs/dbraw/zinc/76/43/96/680764396.db2.gz JPMVTPKCPIFABZ-HZPDHXFCSA-N 1 0 351.491 2.352 20 30 FEEDRO C=CC[C@]1(C(=O)N[C@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)CCC[NH2+]1 ZINC000662799265 678662722 /nfs/dbraw/zinc/66/27/22/678662722.db2.gz IDWQOBTUQONWPH-MAUKXSAKSA-N 1 0 365.836 2.399 20 30 FEEDRO CN([C@H](C[NH3+])C(F)(F)F)S(=O)(=O)c1ccc(C(F)(F)F)c(F)c1 ZINC000663311707 678722129 /nfs/dbraw/zinc/72/21/29/678722129.db2.gz PQFAXZAXVLFHER-SECBINFHSA-N 1 0 368.274 2.355 20 30 FEEDRO C=C(C)Cn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CCSC[C@@H]1C ZINC000669335474 679229880 /nfs/dbraw/zinc/22/98/80/679229880.db2.gz MOARVOLXHHHRDU-XHSDSOJGSA-N 1 0 363.531 2.332 20 30 FEEDRO C=C(C)Cn1c([C@H](C)OCCOC)nnc1N1CC[N@@H+](CC)[C@@H](C)C1 ZINC000670230171 679276715 /nfs/dbraw/zinc/27/67/15/679276715.db2.gz LSTLNWWDRFHXOR-HOTGVXAUSA-N 1 0 351.495 2.109 20 30 FEEDRO C[NH+]1CCC(C/N=C\c2cc(Cl)ccc2O)(N2CCOCC2)CC1 ZINC000840711873 680839195 /nfs/dbraw/zinc/83/91/95/680839195.db2.gz SWWJATKPSUHILY-MOSHPQCFSA-N 1 0 351.878 2.261 20 30 FEEDRO CCOC(=O)[C@@H]1[C@@H]([NH2+]CC(C)(C)CC#N)CCN1C(=O)OC(C)(C)C ZINC000840788256 680842899 /nfs/dbraw/zinc/84/28/99/680842899.db2.gz WYKNXCKHWLRXMG-KBPBESRZSA-N 1 0 353.463 2.457 20 30 FEEDRO C#CCC[NH+]1CCC(NS(=O)(=O)c2ccc(Cl)c(OC)c2)CC1 ZINC000840952436 680856605 /nfs/dbraw/zinc/85/66/05/680856605.db2.gz ZYBTXGXIPAVSFH-UHFFFAOYSA-N 1 0 356.875 2.115 20 30 FEEDRO C#CCCCS(=O)(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000840949301 680856139 /nfs/dbraw/zinc/85/61/39/680856139.db2.gz ULLUMOOJLRRROK-UHFFFAOYSA-N 1 0 352.525 2.433 20 30 FEEDRO C#CCC[NH+]1CCC(NS(=O)(=O)c2cc(C)c(OC)c(C)c2)CC1 ZINC000840951484 680856230 /nfs/dbraw/zinc/85/62/30/680856230.db2.gz AHHGPPAMOHRXQI-UHFFFAOYSA-N 1 0 350.484 2.078 20 30 FEEDRO COc1c(Br)cc(Cl)cc1NC(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000841109810 680863828 /nfs/dbraw/zinc/86/38/28/680863828.db2.gz PCGYLLWRJOHXHL-HQJQHLMTSA-N 1 0 373.638 2.344 20 30 FEEDRO C#CCC[NH+]1CCC(NS(=O)(=O)c2ccc(C)c3ncccc23)CC1 ZINC000748672154 679986516 /nfs/dbraw/zinc/98/65/16/679986516.db2.gz NSUSHAJGRXMRJA-UHFFFAOYSA-N 1 0 357.479 2.309 20 30 FEEDRO CC[N@@H+]1CCC[C@H]1Cn1c(C)cc(C=NNS(=O)(=O)C(C)C)c1C ZINC000749747857 680071061 /nfs/dbraw/zinc/07/10/61/680071061.db2.gz QVIRPFPMHUTHGB-KRWDZBQOSA-N 1 0 354.520 2.251 20 30 FEEDRO C=C(Cl)C(C)(C)C(=O)N1CC[C@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)[C@H]2C1 ZINC000975723650 680083282 /nfs/dbraw/zinc/08/32/82/680083282.db2.gz PABIAQASVAKLGY-JYJNAYRXSA-N 1 0 367.921 2.309 20 30 FEEDRO C=C(Cl)C(C)(C)C(=O)N1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@@H]2C1 ZINC001021802684 680177284 /nfs/dbraw/zinc/17/72/84/680177284.db2.gz JKZIIQIIKHJQAE-SLBVQIDZSA-N 1 0 367.921 2.165 20 30 FEEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)CCSc1ccc(Br)cc1 ZINC000834480285 680233096 /nfs/dbraw/zinc/23/30/96/680233096.db2.gz NOMYLPQYFPTAJX-ZWNOBZJWSA-N 1 0 354.273 2.159 20 30 FEEDRO Cn1c(C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)ccc1-c1ccc(Br)cc1 ZINC000834493087 680234623 /nfs/dbraw/zinc/23/46/23/680234623.db2.gz AJQJTYCATNPRQV-GXTWGEPZSA-N 1 0 373.254 2.296 20 30 FEEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)Cc1csc(-c2ccc(Cl)s2)n1 ZINC000834493936 680234959 /nfs/dbraw/zinc/23/49/59/680234959.db2.gz JASDECDTPOVXGA-WPRPVWTQSA-N 1 0 352.872 2.295 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[N@H+](CC[C@H]2CCCCO2)CC1 ZINC000982173992 680272585 /nfs/dbraw/zinc/27/25/85/680272585.db2.gz SYRDZRRVNOWEQZ-QYZOEREBSA-N 1 0 350.503 2.461 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H]([NH2+]Cc2cnns2)C(C)(C)C1 ZINC000996394000 680330888 /nfs/dbraw/zinc/33/08/88/680330888.db2.gz NGQPIHDZVIVYNS-XHSDSOJGSA-N 1 0 364.515 2.236 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([NH2+][C@H](C)c2nnc(C)s2)CC1 ZINC000996601981 680336441 /nfs/dbraw/zinc/33/64/41/680336441.db2.gz UZMJWKFABKGWOK-WQVCFCJDSA-N 1 0 364.515 2.469 20 30 FEEDRO C=C(Cl)C[NH2+]C1CCC(NC(=O)[C@@H]2OCC[C@@H]2Cn2cccn2)CC1 ZINC001026575872 680347675 /nfs/dbraw/zinc/34/76/75/680347675.db2.gz MGNZECXYFILFSG-RDHHWEPZSA-N 1 0 366.893 2.058 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2c(F)cccc2F)C1 ZINC001027075519 680354847 /nfs/dbraw/zinc/35/48/47/680354847.db2.gz UQCJEIQWCOVTSD-LBTNJELSSA-N 1 0 350.409 2.494 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1CCC1CCOCC1 ZINC001027890751 680362591 /nfs/dbraw/zinc/36/25/91/680362591.db2.gz HUSQUELZQWLEPR-QRVBRYPASA-N 1 0 350.503 2.365 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(C[NH2+][C@@H](C)c2nnc(C)s2)CC1 ZINC000998094648 680375048 /nfs/dbraw/zinc/37/50/48/680375048.db2.gz LZEAHSKQNUFUFS-MAZHCROVSA-N 1 0 364.515 2.327 20 30 FEEDRO C[C@@H]1CCC[N@H+](CCCCNc2cccc(S(N)(=O)=O)c2C#N)C1 ZINC000754981439 680391686 /nfs/dbraw/zinc/39/16/86/680391686.db2.gz YILGJVLSQPTCJM-CQSZACIVSA-N 1 0 350.488 2.130 20 30 FEEDRO C=C(Br)C[NH2+]C1CC(N(C)C(=O)[C@@H]2C[C@H]2c2ccnn2C)C1 ZINC000999156011 680396529 /nfs/dbraw/zinc/39/65/29/680396529.db2.gz PUHMPLFCFUATER-NWINJMCUSA-N 1 0 367.291 2.011 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2ncc(Cl)n2C)C1 ZINC000999537935 680405712 /nfs/dbraw/zinc/40/57/12/680405712.db2.gz FHFLLFMZPYMWTA-QKRUXVEJSA-N 1 0 366.893 2.134 20 30 FEEDRO C=C(Br)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C1 ZINC000999741946 680411252 /nfs/dbraw/zinc/41/12/52/680411252.db2.gz MNOZVSMORRVITC-LJISPDSOSA-N 1 0 357.292 2.291 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCn2cc(Cl)cn2)CC1 ZINC001034741639 680439529 /nfs/dbraw/zinc/43/95/29/680439529.db2.gz ZSYHSZFWVSOUDB-VQHPVUNQSA-N 1 0 366.893 2.145 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC2(C[NH+]([C@H](C)COC)C2)CC1 ZINC001035814892 680453127 /nfs/dbraw/zinc/45/31/27/680453127.db2.gz VVGMVYKAYZCUDV-SQNIBIBYSA-N 1 0 350.503 2.317 20 30 FEEDRO C=C(Cl)C[N@@H+](C)C1CCN(C(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)CC1 ZINC000985492187 680453840 /nfs/dbraw/zinc/45/38/40/680453840.db2.gz CWVNMLVGWWQADI-OLZOCXBDSA-N 1 0 370.799 2.008 20 30 FEEDRO C=C(Cl)C[N@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3OCCO[C@H]3C)CC2)C1 ZINC001039134692 680461962 /nfs/dbraw/zinc/46/19/62/680461962.db2.gz ULVWATGCVKYQEA-UAGQMJEPSA-N 1 0 356.894 2.103 20 30 FEEDRO C=C(Cl)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001039290367 680462964 /nfs/dbraw/zinc/46/29/64/680462964.db2.gz AWSPSZZCLXJIKU-DGEDUDFVSA-N 1 0 368.905 2.292 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2C[C@H](CC)OC ZINC001039945364 680467949 /nfs/dbraw/zinc/46/79/49/680467949.db2.gz ZRYXZUCDYHAOSL-PJVZLEMVSA-N 1 0 350.503 2.458 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)N1CCO[C@H](c2ccc(F)cc2F)C1 ZINC000836490040 680476680 /nfs/dbraw/zinc/47/66/80/680476680.db2.gz DBIWURGSICVZAI-KRWDZBQOSA-N 1 0 351.397 2.003 20 30 FEEDRO C=C(Cl)C(C)(C)C(=O)N1CC(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001002257464 680491513 /nfs/dbraw/zinc/49/15/13/680491513.db2.gz GCCQXVZHXHRYGU-LSDHHAIUSA-N 1 0 355.910 2.070 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC2(C1)CC[NH+](C[C@@H](C)O)CC2 ZINC001040881829 680492829 /nfs/dbraw/zinc/49/28/29/680492829.db2.gz UIDXPDHJDZCMOV-SQNIBIBYSA-N 1 0 350.503 2.053 20 30 FEEDRO C[C@@H]1CN(c2ncc(C#N)cc2Cl)C[C@H]1NC(=O)C[N@@H+]1CCC[C@H]1C ZINC001042511171 680533476 /nfs/dbraw/zinc/53/34/76/680533476.db2.gz WLTGYZOZTKPAKU-XJKCOSOUSA-N 1 0 361.877 2.032 20 30 FEEDRO C=C(C)CC[NH+]1CCC(N(C)C(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)CC1 ZINC001005583164 680581020 /nfs/dbraw/zinc/58/10/20/680581020.db2.gz GQQZOJICXFPLEI-CABCVRRESA-N 1 0 364.408 2.222 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1CC[NH+](C[C@H]2CCCCO2)CC1 ZINC001006122007 680594263 /nfs/dbraw/zinc/59/42/63/680594263.db2.gz FEBWGHLXIUABED-QYZOEREBSA-N 1 0 350.503 2.460 20 30 FEEDRO C#CCNC(=S)C(C(=O)c1ccc(C)cc1)[n+]1ccc(N(C)C)cc1 ZINC000759055168 680624018 /nfs/dbraw/zinc/62/40/18/680624018.db2.gz SZTGMEDVJNBYFW-UHFFFAOYSA-O 1 0 352.483 2.262 20 30 FEEDRO C#CCNC(=S)C(C(=O)c1ccc(OC)cc1OC)[n+]1ccccc1 ZINC000759058630 680624346 /nfs/dbraw/zinc/62/43/46/680624346.db2.gz NQJWUNQXFWZMBI-UHFFFAOYSA-O 1 0 355.439 2.425 20 30 FEEDRO CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCN(Cc3ccc(C#N)s3)C2)CC[N@@H+]1C ZINC001007368948 680637662 /nfs/dbraw/zinc/63/76/62/680637662.db2.gz MSZPGBMDWSCZAT-JCGIZDLHSA-N 1 0 360.527 2.431 20 30 FEEDRO C=CCC[NH+]1CCC2(CO[C@H](CNC(=O)[C@@H]3CCO[C@H]3CC)C2)CC1 ZINC001045674373 680637744 /nfs/dbraw/zinc/63/77/44/680637744.db2.gz WCYPUOUNNMYCKT-KSZLIROESA-N 1 0 350.503 2.365 20 30 FEEDRO C=CCC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@H]3OCCO[C@H]3C)C2)CC1 ZINC001047245175 680659198 /nfs/dbraw/zinc/65/91/98/680659198.db2.gz YANXFDXCACAKRS-UHOSZYNNSA-N 1 0 350.503 2.317 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)N[C@H](C(=O)OC)c1ccccc1Br ZINC000912462452 685377401 /nfs/dbraw/zinc/37/74/01/685377401.db2.gz OTKIRTILOBAXPX-AWEZNQCLSA-N 1 0 369.259 2.287 20 30 FEEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)Nc1cc(Br)c(F)cc1Cl ZINC000841144156 680865671 /nfs/dbraw/zinc/86/56/71/680865671.db2.gz XZNVPMRJQYKZLI-KSBSHMNSSA-N 1 0 361.602 2.475 20 30 FEEDRO Cc1nc2cc(Br)cc(NC(=O)N[C@@H]3C[NH2+]C[C@H]3C#N)c2o1 ZINC000841195383 680868585 /nfs/dbraw/zinc/86/85/85/680868585.db2.gz XHSBBOADDFXBII-PRHODGIISA-N 1 0 364.203 2.132 20 30 FEEDRO Cc1nc(NC(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)sc1Cc1ccc(F)cc1 ZINC000841240483 680870677 /nfs/dbraw/zinc/87/06/77/680870677.db2.gz KNNHIEUBGWUCPV-GXTWGEPZSA-N 1 0 359.430 2.415 20 30 FEEDRO Cc1csc(CCNC(NCCCN2CCOCC2)=[NH+]C(C)(C)C)n1 ZINC000912499612 685386640 /nfs/dbraw/zinc/38/66/40/685386640.db2.gz VMORLCXYPSPBFZ-UHFFFAOYSA-N 1 0 367.563 2.050 20 30 FEEDRO C#C[C@@H](NC(=O)NC[C@@H]1CCC[NH2+]C1)c1ccc(Br)cc1 ZINC000841924133 680917465 /nfs/dbraw/zinc/91/74/65/680917465.db2.gz UPNYTJNWCDJQSV-IUODEOHRSA-N 1 0 350.260 2.422 20 30 FEEDRO C#C[C@@H](NC(=O)N[C@@H]1C[NH2+]CCC1(F)F)c1ccc(Br)cc1 ZINC000842006485 680921576 /nfs/dbraw/zinc/92/15/76/680921576.db2.gz SXMWICQZXFGERB-CHWSQXEVSA-N 1 0 372.213 2.420 20 30 FEEDRO C[C@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)[C@@H](O)c1ccc(F)cc1 ZINC000843072104 680985926 /nfs/dbraw/zinc/98/59/26/680985926.db2.gz AJUYAHJPGONWDW-SCLBCKFNSA-N 1 0 362.426 2.183 20 30 FEEDRO N#Cc1ccc(OC[C@H](O)C[NH2+]C[C@H](O)c2c(F)cccc2Cl)cc1 ZINC000843084043 680986644 /nfs/dbraw/zinc/98/66/44/680986644.db2.gz MPPKSSANHPUXIV-DYVFJYSZSA-N 1 0 364.804 2.414 20 30 FEEDRO COC(=O)C[C@]1([NH2+]Cc2ccc(C#N)cc2OC(F)F)CCCOC1 ZINC000770707658 681024844 /nfs/dbraw/zinc/02/48/44/681024844.db2.gz MBBAYOJBQANTCF-QGZVFWFLSA-N 1 0 354.353 2.362 20 30 FEEDRO C#CC[N@H+]1C[C@@H]2CCCN(C(=O)CC[C@@H]3CC[C@H](C(F)(F)F)O3)[C@@H]2C1 ZINC001050068909 681040309 /nfs/dbraw/zinc/04/03/09/681040309.db2.gz OQOXYNFXYRYUEB-CAOSSQGBSA-N 1 0 358.404 2.433 20 30 FEEDRO Cc1nsc(N2CC[C@H](NC(=O)[C@H]3CCC[N@H+]3C(C)C)[C@H]2C)c1C#N ZINC001050620713 681051967 /nfs/dbraw/zinc/05/19/67/681051967.db2.gz CXOLQTYSJUXIDU-VNQPRFMTSA-N 1 0 361.515 2.279 20 30 FEEDRO C[NH+]1CCN(c2ccc(C=NN3C(=S)N=NC3C(C)(C)C)cc2)CC1 ZINC000771555369 681059491 /nfs/dbraw/zinc/05/94/91/681059491.db2.gz KDTORSJANKHAOM-UHFFFAOYSA-N 1 0 358.515 2.498 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)O[C@@H]2CCN(c3cccc(Cl)c3)C2=O)CC1 ZINC000772113604 681086434 /nfs/dbraw/zinc/08/64/34/681086434.db2.gz OUHBCGPBMXXQAV-QGZVFWFLSA-N 1 0 360.841 2.334 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1COC2(C[NH+](CCC(C)(C)C)C2)C1 ZINC001053805258 681103983 /nfs/dbraw/zinc/10/39/83/681103983.db2.gz NHFVAOVXZHGWSS-BBWFWOEESA-N 1 0 350.503 2.363 20 30 FEEDRO C=C(C)CONC(=O)N(C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000845601882 681140576 /nfs/dbraw/zinc/14/05/76/681140576.db2.gz WBHMPUJNBJHOAR-UHFFFAOYSA-N 1 0 352.523 2.332 20 30 FEEDRO C#CCN(C(=O)[C@@H](CC[NH+](C)C)NC(=O)OC(C)(C)C)C1CCCC1 ZINC000845775635 681151756 /nfs/dbraw/zinc/15/17/56/681151756.db2.gz LEAAZTIDXPHZMT-MRXNPFEDSA-N 1 0 351.491 2.236 20 30 FEEDRO C[C@@H]1[C@H](C(=O)N[C@H]2CCCN(c3nc(C#N)c(Cl)s3)C2)CC[N@@H+]1C ZINC001058257944 681169694 /nfs/dbraw/zinc/16/96/94/681169694.db2.gz JMSJGYHWFLXUEQ-GRYCIOLGSA-N 1 0 367.906 2.093 20 30 FEEDRO C=CC1(CC(=O)NC[C@H]2CCC[N@@H+](C)C2)CN(C(=O)OC(C)(C)C)C1 ZINC000932308832 681219230 /nfs/dbraw/zinc/21/92/30/681219230.db2.gz BRKRQFHDHJUYKV-OAHLLOKOSA-N 1 0 351.491 2.258 20 30 FEEDRO C#CCN(CC(=O)NCCc1ccc(OC(F)F)c(OC)c1)C(C)C ZINC000932394869 681240339 /nfs/dbraw/zinc/24/03/39/681240339.db2.gz SISLJPMCQQBTGH-UHFFFAOYSA-N 1 0 354.397 2.299 20 30 FEEDRO C#CC[C@@H]([NH2+]CC(=O)Nc1ccc(S(C)(=O)=O)cc1)c1ccccc1 ZINC000775398729 681304286 /nfs/dbraw/zinc/30/42/86/681304286.db2.gz LJGIXXMYUOKMJH-GOSISDBHSA-N 1 0 356.447 2.383 20 30 FEEDRO N#CC[C@@H](NC(=O)NCC1CC[NH+](C2CCOCC2)CC1)C(F)(F)F ZINC000932895639 681324528 /nfs/dbraw/zinc/32/45/28/681324528.db2.gz BTMORFBNVFXWDW-CQSZACIVSA-N 1 0 362.396 2.021 20 30 FEEDRO N#CC[C@H](NC(=O)NCC1CCN(c2cc[nH+]cc2)CC1)C(F)(F)F ZINC000932910599 681326741 /nfs/dbraw/zinc/32/67/41/681326741.db2.gz LUBLKLAIHDLBGC-AWEZNQCLSA-N 1 0 355.364 2.442 20 30 FEEDRO O=C1C[C@H](C[N@H+]2C[C@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)CN1 ZINC000932943953 681332479 /nfs/dbraw/zinc/33/24/79/681332479.db2.gz LPUNJTJLMOSGHQ-BIIVOSGPSA-N 1 0 366.252 2.225 20 30 FEEDRO O=C1C[C@H](C[NH+]2C[C@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)CN1 ZINC000932943954 681332578 /nfs/dbraw/zinc/33/25/78/681332578.db2.gz LPUNJTJLMOSGHQ-FXQIFTODSA-N 1 0 366.252 2.225 20 30 FEEDRO C#C[C@H]([NH2+][C@H](C)C[C@@H]1COCCN1C(=O)OC(C)(C)C)[C@@H]1CCCO1 ZINC000776003484 681356154 /nfs/dbraw/zinc/35/61/54/681356154.db2.gz WNKCABGQCZUSLE-NCOADZHNSA-N 1 0 352.475 2.171 20 30 FEEDRO C[C@@H]1CCN(Cc2ccccc2)CC1=NNC(=S)NCCC[NH+](C)C ZINC000776186872 681370841 /nfs/dbraw/zinc/37/08/41/681370841.db2.gz WWTLPUUAHKFWFY-MRXNPFEDSA-N 1 0 361.559 2.300 20 30 FEEDRO CC[C@@H]1C(=O)NCCC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000933219176 681377503 /nfs/dbraw/zinc/37/75/03/681377503.db2.gz HJCQGLCYNFTAJH-CQSZACIVSA-N 1 0 360.483 2.038 20 30 FEEDRO C#CCC[NH+]1CCN(Cc2ccc(I)cc2)CC1 ZINC000776593891 681413191 /nfs/dbraw/zinc/41/31/91/681413191.db2.gz PLBNPTDZBANVIY-UHFFFAOYSA-N 1 0 354.235 2.432 20 30 FEEDRO CCOC(=O)N1CCC[C@H]([C@@H](C)[NH2+]CC(=O)Nc2sccc2C#N)C1 ZINC000776824224 681438570 /nfs/dbraw/zinc/43/85/70/681438570.db2.gz UDBASAIBRWKFPS-OCCSQVGLSA-N 1 0 364.471 2.405 20 30 FEEDRO C[N@@H+]1C[C@@H]2CN(CC(=O)[C@H](C#N)c3nc4ccccc4s3)C[C@]2(C)C1 ZINC000933735044 681459485 /nfs/dbraw/zinc/45/94/85/681459485.db2.gz IWRCCCWPIVDPNJ-TYILLQQXSA-N 1 0 354.479 2.356 20 30 FEEDRO C[N@H+](CCC(=O)NC(=O)NCc1ccccc1)Cc1cc(C#N)cs1 ZINC000933776203 681466852 /nfs/dbraw/zinc/46/68/52/681466852.db2.gz UMYZKQLFJXRGPQ-UHFFFAOYSA-N 1 0 356.451 2.468 20 30 FEEDRO C=C(C[NH+](C)C)C(=O)N1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)OC)C1 ZINC000848251979 681502309 /nfs/dbraw/zinc/50/23/09/681502309.db2.gz DUFFJYOSUUQSGS-JKSUJKDBSA-N 1 0 350.846 2.173 20 30 FEEDRO CC[NH+](CC)[C@H](CNS(=O)(=O)CC(C)(C)C#N)Cc1ccccc1 ZINC000777817264 681534004 /nfs/dbraw/zinc/53/40/04/681534004.db2.gz DTKASPRSMPJCDF-KRWDZBQOSA-N 1 0 351.516 2.409 20 30 FEEDRO CC[NH+](CC)CCOc1ccccc1CNS(=O)(=O)CC(C)(C)C#N ZINC000777817770 681534176 /nfs/dbraw/zinc/53/41/76/681534176.db2.gz UKWSKMICXMJDAM-UHFFFAOYSA-N 1 0 367.515 2.376 20 30 FEEDRO CN(C)S(=O)(=O)c1ccc(N=NC2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000848410482 681536479 /nfs/dbraw/zinc/53/64/79/681536479.db2.gz POBSCAZXWUPKCU-KRWDZBQOSA-N 1 0 350.488 2.353 20 30 FEEDRO C=C(C)C[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)CC1 ZINC000948547282 681588931 /nfs/dbraw/zinc/58/89/31/681588931.db2.gz VZFJQHLFERAWQG-KFWWJZLASA-N 1 0 364.408 2.222 20 30 FEEDRO COc1ccc(C[NH+]2CCC(CN=[S@](C)(=O)N(C)C)CC2)cc1C#N ZINC000934751201 681621151 /nfs/dbraw/zinc/62/11/51/681621151.db2.gz IJFGGUYMDLUTEA-VWLOTQADSA-N 1 0 364.515 2.353 20 30 FEEDRO CN(C)[S@@](C)(=O)=NCC1CC[NH+](Cc2ccc(C#N)c(F)c2)CC1 ZINC000934751229 681621182 /nfs/dbraw/zinc/62/11/82/681621182.db2.gz IKRCSLLQMGWLNL-DEOSSOPVSA-N 1 0 352.479 2.484 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCOC2(CC[NH+](C/C=C\Cl)CC2)C1 ZINC000949209471 681624801 /nfs/dbraw/zinc/62/48/01/681624801.db2.gz CULVSPYLBRHSTK-DHVVRSMGSA-N 1 0 368.905 2.414 20 30 FEEDRO CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)NCC1CC[NH2+]CC1 ZINC000848940878 681646042 /nfs/dbraw/zinc/64/60/42/681646042.db2.gz YUZKGSQQHUJEKQ-HNNXBMFYSA-N 1 0 352.479 2.079 20 30 FEEDRO CCNC(NCc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1)=[NH+]CC ZINC000849001988 681647452 /nfs/dbraw/zinc/64/74/52/681647452.db2.gz GFEZOBGPOBEKRO-UHFFFAOYSA-N 1 0 351.394 2.184 20 30 FEEDRO CCCC[NH+]=C(NCCS(=O)(=O)NC(C)C)NCc1ccc(C)cc1 ZINC000849074440 681649785 /nfs/dbraw/zinc/64/97/85/681649785.db2.gz ZRHYTDSNWFYJQR-UHFFFAOYSA-N 1 0 368.547 2.158 20 30 FEEDRO C[NH+]=C(NCCCS(=O)(=O)c1ccc(Cl)cc1)NCc1ccco1 ZINC000849110424 681655078 /nfs/dbraw/zinc/65/50/78/681655078.db2.gz XFFIDBZUAVUPRW-UHFFFAOYSA-N 1 0 369.874 2.462 20 30 FEEDRO C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912901037 685466043 /nfs/dbraw/zinc/46/60/43/685466043.db2.gz XGWBUZVHMWYOTD-KGLIPLIRSA-N 1 0 357.882 2.329 20 30 FEEDRO C[NH+](C)CC#CCNC(=O)CSc1nnc(-c2ccc(Cl)cc2)o1 ZINC000913514952 685479133 /nfs/dbraw/zinc/47/91/33/685479133.db2.gz BSPSOXLZILFPFU-UHFFFAOYSA-N 1 0 364.858 2.163 20 30 FEEDRO COc1cc(Br)ccc1CCC(=O)NCC#CC[NH+](C)C ZINC000913521370 685479220 /nfs/dbraw/zinc/47/92/20/685479220.db2.gz WLKSBRSTZUJAJE-UHFFFAOYSA-N 1 0 353.260 2.072 20 30 FEEDRO C=C(Cl)C(C)(C)C(=O)N1CC[C@@](C)(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000957012257 681874913 /nfs/dbraw/zinc/87/49/13/681874913.db2.gz CGAQTUDKPCSBGS-RVZJWNSFSA-N 1 0 355.910 2.213 20 30 FEEDRO C=C(Cl)C(C)(C)C(=O)N1CC[C@](C)(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000957012256 681874955 /nfs/dbraw/zinc/87/49/55/681874955.db2.gz CGAQTUDKPCSBGS-DFHBCGBQSA-N 1 0 355.910 2.213 20 30 FEEDRO C#CC[N@H+](C[C@@H]1CNC(=O)C1)[C@H]1CCOc2ccc(Br)cc21 ZINC000851771345 682128982 /nfs/dbraw/zinc/12/89/82/682128982.db2.gz BVXHERIATLWLEV-WFASDCNBSA-N 1 0 363.255 2.344 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)NC[C@H]2CCC3(CCOCC3)O2)CC1 ZINC000917098013 685529663 /nfs/dbraw/zinc/52/96/63/685529663.db2.gz QDHPVCLOHOTNBH-QGZVFWFLSA-N 1 0 351.491 2.054 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)NC[C@H](O)c2cc(F)c(F)c(F)c2)CC1 ZINC000852127932 682224491 /nfs/dbraw/zinc/22/44/91/682224491.db2.gz ZBBOHSNMHFKYOG-HNNXBMFYSA-N 1 0 357.376 2.087 20 30 FEEDRO N#CCCOCC[NH+]1CCC([C@@H]2CCCN(C(=O)C(F)(F)F)C2)CC1 ZINC000852604597 682307831 /nfs/dbraw/zinc/30/78/31/682307831.db2.gz RFJXCWKATUWHGJ-OAHLLOKOSA-N 1 0 361.408 2.430 20 30 FEEDRO Cn1ccc([C@@H](NC(=O)C#CC2CC[NH2+]CC2)c2ccc(Cl)cc2)n1 ZINC000852887130 682353548 /nfs/dbraw/zinc/35/35/48/682353548.db2.gz GESYMJSSPSBZIT-IBGZPJMESA-N 1 0 356.857 2.282 20 30 FEEDRO O=C(C#CC1CC[NH2+]CC1)Nc1ccc(CN2CCOCC2)c(Cl)c1 ZINC000852886044 682353591 /nfs/dbraw/zinc/35/35/91/682353591.db2.gz GCKKCIGVUUMNMM-UHFFFAOYSA-N 1 0 361.873 2.114 20 30 FEEDRO C#C[C@@H]([NH2+]C[C@H](O)COc1ccccc1C(F)(F)F)C1CCOCC1 ZINC000853116559 682377989 /nfs/dbraw/zinc/37/79/89/682377989.db2.gz XPNFSIZIXXNOKT-GOEBONIOSA-N 1 0 357.372 2.463 20 30 FEEDRO C=C(Cl)C(C)(C)C(=O)N1C[C@H]2CCN(C(=O)C[N@@H+](C)C3CCC3)C[C@H]21 ZINC000972339439 682407449 /nfs/dbraw/zinc/40/74/49/682407449.db2.gz FUINOUMCOIEJSL-GDBMZVCRSA-N 1 0 367.921 2.309 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@H]([N@H+](C)CC2CCOCC2)C1 ZINC000972512382 682418181 /nfs/dbraw/zinc/41/81/81/682418181.db2.gz CLZHSVGWIGAKFM-FHWLQOOXSA-N 1 0 350.503 2.317 20 30 FEEDRO COC(=O)CC[NH+]1CCC(N=Nc2nc3cc(F)c(F)cc3[nH]2)CC1 ZINC000788709567 682552711 /nfs/dbraw/zinc/55/27/11/682552711.db2.gz MOJOZKXNSYEBBR-UHFFFAOYSA-N 1 0 351.357 2.268 20 30 FEEDRO C[NH+](C)[C@@H](CNS(=O)(=O)c1cccc(F)c1C#N)C1CCCCC1 ZINC000788882313 682561996 /nfs/dbraw/zinc/56/19/96/682561996.db2.gz RKAWMDVQJAXLPK-INIZCTEOSA-N 1 0 353.463 2.486 20 30 FEEDRO C#CC[C@]1(C(=O)NCC[C@H](C)[NH+](C)C)CCCN1C(=O)OC(C)(C)C ZINC000855415447 682667567 /nfs/dbraw/zinc/66/75/67/682667567.db2.gz ICRSTQDQAJMBTB-HNAYVOBHSA-N 1 0 351.491 2.236 20 30 FEEDRO O=C(C#Cc1ccc(C(F)(F)F)cc1)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000790542521 682684610 /nfs/dbraw/zinc/68/46/10/682684610.db2.gz KAGJBNHEFPQBQG-CVEARBPZSA-N 1 0 352.356 2.036 20 30 FEEDRO CC[NH+](CC)CC#C[C@@H](C)OC(=O)c1cc(Br)c[nH]c1=O ZINC000857013080 682843781 /nfs/dbraw/zinc/84/37/81/682843781.db2.gz DWNDFMACJWPRPO-LLVKDONJSA-N 1 0 355.232 2.440 20 30 FEEDRO C[NH+](C)CCCNC(=S)NN=CCN(C(=O)OC(C)(C)C)C(C)(C)C ZINC000794510839 682974257 /nfs/dbraw/zinc/97/42/57/682974257.db2.gz XKNMCPXTFOVXOQ-UHFFFAOYSA-N 1 0 373.567 2.424 20 30 FEEDRO C=C[C@](C)(CCOC)C(=O)N[C@@H]1C[C@]2(C[N@@H+](CC)[C@H]2C(C)C)C[C@H]1O ZINC000926245388 683097201 /nfs/dbraw/zinc/09/72/01/683097201.db2.gz ULWSQGZZCPOFQM-HPUSYDDDSA-N 1 0 352.519 2.201 20 30 FEEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000926288409 683104600 /nfs/dbraw/zinc/10/46/00/683104600.db2.gz UZQSVBCUADMZKW-STQMWFEESA-N 1 0 369.918 2.359 20 30 FEEDRO C[C@H](C#N)Oc1ccc(C[NH2+]C[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)cc1 ZINC000796491909 683165884 /nfs/dbraw/zinc/16/58/84/683165884.db2.gz XLFJRMOAWIWHBH-HFTRVMKXSA-N 1 0 365.499 2.175 20 30 FEEDRO CSc1ccc(CNS(=O)(=O)C[C@@]23CC[N@H+](C2)CCC3)cc1C#N ZINC000919883175 683305625 /nfs/dbraw/zinc/30/56/25/683305625.db2.gz QEIOXQFWDSNURZ-KRWDZBQOSA-N 1 0 365.524 2.185 20 30 FEEDRO N#CCn1c(C(=O)N[C@H]2CCC[N@@H+]3CCSC[C@H]23)cc2ccccc21 ZINC000928100840 683392284 /nfs/dbraw/zinc/39/22/84/683392284.db2.gz UUHPSMHIBRUJRF-MAUKXSAKSA-N 1 0 354.479 2.474 20 30 FEEDRO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](C)[C@@H]2CNC(=O)OC(C)(C)C)C1=O ZINC000799124920 683425163 /nfs/dbraw/zinc/42/51/63/683425163.db2.gz BFQBRNKIJFDBSS-PMPSAXMXSA-N 1 0 351.491 2.399 20 30 FEEDRO C=CCN1CC[C@H]([N@@H+]2CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)C1=O ZINC000799142451 683427151 /nfs/dbraw/zinc/42/71/51/683427151.db2.gz SXSQKZKHWIBGBM-JYJNAYRXSA-N 1 0 351.491 2.399 20 30 FEEDRO CCCCCCCNC(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000861655217 683449488 /nfs/dbraw/zinc/44/94/88/683449488.db2.gz HMVGMCUEDXVDNG-IRXDYDNUSA-N 1 0 352.523 2.247 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)NCc2cc(C)ccc2OC(F)F)CC1 ZINC000921414027 683462002 /nfs/dbraw/zinc/46/20/02/683462002.db2.gz AGVMQMJRAAOAKJ-UHFFFAOYSA-N 1 0 351.397 2.493 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)c2ccc(C(F)(F)Br)nc2)CC1 ZINC000928648057 683480806 /nfs/dbraw/zinc/48/08/06/683480806.db2.gz DYXYAHVZLQRLAS-UHFFFAOYSA-N 1 0 372.213 2.353 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)[C@](C)(CCC)NC(=O)OC(C)(C)C)CC1 ZINC000928658261 683483102 /nfs/dbraw/zinc/48/31/02/683483102.db2.gz OPFVOHUSZGMEJP-IBGZPJMESA-N 1 0 351.491 2.284 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)Cc2csc(CCC(F)(F)F)n2)CC1 ZINC000928661467 683483265 /nfs/dbraw/zinc/48/32/65/683483265.db2.gz XLJKGXHRZHFTHW-UHFFFAOYSA-N 1 0 359.417 2.394 20 30 FEEDRO CC[N@@H+]1CCC[C@H]1CNC(=S)N1CCC(C#N)(c2ccccn2)CC1 ZINC000799899785 683506125 /nfs/dbraw/zinc/50/61/25/683506125.db2.gz FTCZMMRXXKQBOH-INIZCTEOSA-N 1 0 357.527 2.298 20 30 FEEDRO N#Cc1ccc(Br)c(CNC[C@H](O)C[NH+]2CCCCC2)c1 ZINC000921586307 683510858 /nfs/dbraw/zinc/51/08/58/683510858.db2.gz JHZMMQFIHZKNQU-HNNXBMFYSA-N 1 0 352.276 2.257 20 30 FEEDRO C=CCCc1ccc(S(=O)(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)cc1 ZINC000921912674 683611078 /nfs/dbraw/zinc/61/10/78/683611078.db2.gz UVOCVDYLJOUFHH-GOSISDBHSA-N 1 0 364.511 2.337 20 30 FEEDRO C=CC[C@H](CO)[NH2+]Cc1nc(Br)c(Br)n1CC ZINC000921996034 683633413 /nfs/dbraw/zinc/63/34/13/683633413.db2.gz URVKJXRAAHBWCZ-MRVPVSSYSA-N 1 0 367.085 2.455 20 30 FEEDRO C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc2onc(Cl)c2c1 ZINC000922022878 683639387 /nfs/dbraw/zinc/63/93/87/683639387.db2.gz PYPCTHKNVVYBNR-UHFFFAOYSA-N 1 0 367.858 2.199 20 30 FEEDRO N#CC[C@@H](O)C[NH+]1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000929926230 683657238 /nfs/dbraw/zinc/65/72/38/683657238.db2.gz IDJFCELTCDKKNY-OAHLLOKOSA-N 1 0 366.259 2.374 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)N[C@H]2CCc3cc(F)c(F)c(F)c32)CC1 ZINC000922744432 683776381 /nfs/dbraw/zinc/77/63/81/683776381.db2.gz HSTCYXGGYSGRDC-AWEZNQCLSA-N 1 0 351.372 2.488 20 30 FEEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1 ZINC000931062489 683825232 /nfs/dbraw/zinc/82/52/32/683825232.db2.gz JOCOTYKIWKNCGF-OWCLPIDISA-N 1 0 356.532 2.171 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1ccc(N=S(C)(C)=O)cc1 ZINC000865013101 683922991 /nfs/dbraw/zinc/92/29/91/683922991.db2.gz JVZQXBBHJIITCM-UHFFFAOYSA-N 1 0 350.488 2.353 20 30 FEEDRO Cc1cc(CNC(=S)N(CC[NH+](C)C)Cc2cccc(C#N)c2)no1 ZINC000865229855 683952433 /nfs/dbraw/zinc/95/24/33/683952433.db2.gz GVEQWCDHDGHTQE-UHFFFAOYSA-N 1 0 357.483 2.293 20 30 FEEDRO C[NH+]1CCC(NC(=S)NC2CCN(c3ccccc3C#N)CC2)CC1 ZINC000865251656 683957117 /nfs/dbraw/zinc/95/71/17/683957117.db2.gz WQFXAVOGAKVHES-UHFFFAOYSA-N 1 0 357.527 2.085 20 30 FEEDRO N#Cc1cc(F)cc(S(=O)(=O)N2CCC[C@H]2C[NH+]2CCCCC2)c1 ZINC000866719908 684139705 /nfs/dbraw/zinc/13/97/05/684139705.db2.gz BHCDRHOSIYXTCR-INIZCTEOSA-N 1 0 351.447 2.336 20 30 FEEDRO C#CCN1CCC[C@@H](NC(=O)Cc2csc(Cc3ccccc3)n2)C1 ZINC000923584755 684308690 /nfs/dbraw/zinc/30/86/90/684308690.db2.gz XJBLMFXFKJDCOM-QGZVFWFLSA-N 1 0 353.491 2.490 20 30 FEEDRO COCCN(CC1CC[NH+](C)CC1)S(=O)(=O)CC1(C#N)CCCCC1 ZINC000867580498 684320246 /nfs/dbraw/zinc/32/02/46/684320246.db2.gz BPAMPPBYEHSFCT-UHFFFAOYSA-N 1 0 371.547 2.080 20 30 FEEDRO CC1([NH+]2CCCC2)CCN(S(=O)(=O)c2cc(F)cc(C#N)c2)CC1 ZINC000867601133 684326685 /nfs/dbraw/zinc/32/66/85/684326685.db2.gz VYSJAURDGYDTJX-UHFFFAOYSA-N 1 0 351.447 2.336 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2CCC([C@@H]3CCC[NH2+]CC3)CC2)cc1F ZINC000923702634 684335341 /nfs/dbraw/zinc/33/53/41/684335341.db2.gz NZYUYPAHWNAGDC-CQSZACIVSA-N 1 0 365.474 2.488 20 30 FEEDRO N#Cc1cccc(CS(=O)(=O)N2CCC([C@@H]3CCC[NH2+]CC3)CC2)c1 ZINC000923703910 684335881 /nfs/dbraw/zinc/33/58/81/684335881.db2.gz HEXYOTYBOYJHLY-GOSISDBHSA-N 1 0 361.511 2.490 20 30 FEEDRO C[C@H]1CN(S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)CC[C@@H]1C[NH3+] ZINC000923704857 684336693 /nfs/dbraw/zinc/33/66/93/684336693.db2.gz VAABOBZKULWDKU-WDEREUQCSA-N 1 0 361.389 2.182 20 30 FEEDRO C[NH+]1CCC(CNS(=O)(=O)CC2(CC#N)CC2)(c2ccccc2)CC1 ZINC000867705817 684356255 /nfs/dbraw/zinc/35/62/55/684356255.db2.gz MDEMGUINCWAQMX-UHFFFAOYSA-N 1 0 361.511 2.263 20 30 FEEDRO C#CC[N@@H+](C)CCCNC(=O)Nc1c(Cl)n(C)nc1C(F)(F)F ZINC000932087578 684404775 /nfs/dbraw/zinc/40/47/75/684404775.db2.gz QMFFXDKJJCKQDJ-UHFFFAOYSA-N 1 0 351.760 2.169 20 30 FEEDRO COCC[NH+](CCOC)C1CCN(C(=O)c2sccc2CC#N)CC1 ZINC000868298008 684477183 /nfs/dbraw/zinc/47/71/83/684477183.db2.gz KWZBXMJUQNNGBK-UHFFFAOYSA-N 1 0 365.499 2.014 20 30 FEEDRO CC[NH+]1CCC(N2CCCN(C(=O)c3sccc3CC#N)CC2)CC1 ZINC000868923986 684557744 /nfs/dbraw/zinc/55/77/44/684557744.db2.gz USNZIDDTCLWIQS-UHFFFAOYSA-N 1 0 360.527 2.446 20 30 FEEDRO C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000869190874 684591757 /nfs/dbraw/zinc/59/17/57/684591757.db2.gz VXCBPOUASORXSI-MJBXVCDLSA-N 1 0 359.898 2.479 20 30 FEEDRO N#CC1(C[C@@H](O)C[NH2+]Cc2nc(-c3ccncc3)cs2)CCOCC1 ZINC000872245364 684931564 /nfs/dbraw/zinc/93/15/64/684931564.db2.gz BMHLLIFKSSRXST-OAHLLOKOSA-N 1 0 358.467 2.366 20 30 FEEDRO CC[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)[C@@H](O)c1ccccc1 ZINC000872252666 684932330 /nfs/dbraw/zinc/93/23/30/684932330.db2.gz VIHMNFVCQHYVRJ-MOPGFXCFSA-N 1 0 358.463 2.434 20 30 FEEDRO CS[C@@H]1CN(S(=O)(=O)c2ccc(C)cc2C#N)C[C@H]1[NH+]1CCCC1 ZINC000872477381 684960216 /nfs/dbraw/zinc/96/02/16/684960216.db2.gz HWYNJPOYLBHLQC-HZPDHXFCSA-N 1 0 365.524 2.067 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)N(CCC(=O)OC(C)(C)C)C1CCOCC1 ZINC000911447260 685212503 /nfs/dbraw/zinc/21/25/03/685212503.db2.gz KWFMMALCQXCCMF-UHFFFAOYSA-N 1 0 354.491 2.234 20 30 FEEDRO C=CCN1C(=S)N=NC1c1sc(NC(=O)[C@H](C)[NH2+]CC)nc1C ZINC000876574333 686222277 /nfs/dbraw/zinc/22/22/77/686222277.db2.gz CCBOFVKYANZCOZ-VIFPVBQESA-N 1 0 352.489 2.121 20 30 FEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)NC1CCN(C(=O)CCc2ccccc2)CC1 ZINC000876605491 686227194 /nfs/dbraw/zinc/22/71/94/686227194.db2.gz VMOGEEZDROZDQQ-QGZVFWFLSA-N 1 0 363.889 2.196 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H](CC(=O)OCC)c1cccc(OC)c1 ZINC000876607822 686228030 /nfs/dbraw/zinc/22/80/30/686228030.db2.gz QRTKGDDAEYMQSS-LSDHHAIUSA-N 1 0 354.834 2.276 20 30 FEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000876631996 686233195 /nfs/dbraw/zinc/23/31/95/686233195.db2.gz PCKWMDOGQWAJFB-ZIAGYGMSSA-N 1 0 354.813 2.018 20 30 FEEDRO C[N@@H+]1CC[C@@H]2CN(CC(=O)[C@H](C#N)c3nc4ccccc4s3)CC[C@@H]21 ZINC000879576340 686861566 /nfs/dbraw/zinc/86/15/66/686861566.db2.gz BLYQCJFVIFVDDR-YCPHGPKFSA-N 1 0 354.479 2.499 20 30 FEEDRO N#C[C@@H](c1cccs1)N1CCN(C(=O)C[N@H+]2CCC[C@H](CF)C2)CC1 ZINC000880237355 687021314 /nfs/dbraw/zinc/02/13/14/687021314.db2.gz VPJKDOLWCFSNIP-CVEARBPZSA-N 1 0 364.490 2.138 20 30 FEEDRO C=CCCc1ccc(S(=O)(=O)NC[C@@H](C)N2CC[NH+](CC)CC2)cc1 ZINC000882101571 687303920 /nfs/dbraw/zinc/30/39/20/687303920.db2.gz ZFNRYMKXVCFKLW-QGZVFWFLSA-N 1 0 365.543 2.110 20 30 FEEDRO C=CCCCS(=O)(=O)NCCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000882744699 687468459 /nfs/dbraw/zinc/46/84/59/687468459.db2.gz MXLQFMRJJRBDNJ-UHFFFAOYSA-N 1 0 366.527 2.289 20 30 FEEDRO CC1([NH+]2CCC2)CCN(S(=O)(=O)c2ccc(Cl)cc2C#N)CC1 ZINC000882768873 687480749 /nfs/dbraw/zinc/48/07/49/687480749.db2.gz XBOBRMPXXSCFIO-UHFFFAOYSA-N 1 0 353.875 2.461 20 30 FEEDRO CC[N@@H+]1CCCN(C(=O)Nc2ccc(Br)c(C#N)n2)CC1 ZINC000883084124 687559495 /nfs/dbraw/zinc/55/94/95/687559495.db2.gz HRKIJKDERMAQOG-UHFFFAOYSA-N 1 0 352.236 2.275 20 30 FEEDRO C#CC[C@H](CO)[NH2+]Cc1cc(Br)ccc1OCCOCC ZINC000883123656 687572199 /nfs/dbraw/zinc/57/21/99/687572199.db2.gz GJEKZEKMXZXAOM-OAHLLOKOSA-N 1 0 356.260 2.338 20 30 FEEDRO C=CCC[C@H]([NH2+]C[C@@H]1CS(=O)(=O)c2ccccc2O1)[C@H]1CCCO1 ZINC000883231926 687591559 /nfs/dbraw/zinc/59/15/59/687591559.db2.gz WIQATVKNZUZPGC-OWCLPIDISA-N 1 0 351.468 2.325 20 30 FEEDRO C[C@@H]([NH2+]CC1(S(=O)(=O)NC(C)(C)C)CC1)c1ccc(OCC#N)cc1 ZINC000883299885 687602647 /nfs/dbraw/zinc/60/26/47/687602647.db2.gz IDMBOFWHGRUWCJ-CQSZACIVSA-N 1 0 365.499 2.490 20 30 FEEDRO C=C(C)C[C@@H](CO)[NH2+]Cc1ccc(OCCN2CCOCC2)c(Cl)c1 ZINC000883401014 687621942 /nfs/dbraw/zinc/62/19/42/687621942.db2.gz ZUAZXJHJLJOCHU-KRWDZBQOSA-N 1 0 368.905 2.468 20 30 FEEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@@H]([NH3+])CCOC ZINC000884116045 687793233 /nfs/dbraw/zinc/79/32/33/687793233.db2.gz KVDZTIHREOZXEL-AWEZNQCLSA-N 1 0 359.239 2.467 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1C(F)(F)F ZINC000884951628 687972566 /nfs/dbraw/zinc/97/25/66/687972566.db2.gz GUZQBHUWZDYTJA-CHWSQXEVSA-N 1 0 373.400 2.482 20 30 FEEDRO C=C(C[NH+](C)C)C(=O)N1CCC[C@](O)(c2ccc(Br)cc2)C1 ZINC000884967927 687978050 /nfs/dbraw/zinc/97/80/50/687978050.db2.gz JGAMNWAMDPUAEQ-QGZVFWFLSA-N 1 0 367.287 2.377 20 30 FEEDRO C#CCN(C(=O)c1ccc2c(c1)NC(=O)CCS2)C1CC[NH+](C)CC1 ZINC000886587091 688280298 /nfs/dbraw/zinc/28/02/98/688280298.db2.gz GMZYSRJHBVQRKL-UHFFFAOYSA-N 1 0 357.479 2.291 20 30 FEEDRO N#CCCc1ccc(S(=O)(=O)NC[C@H]2Cc3ccccc3C[NH2+]2)cc1 ZINC000886889063 688333421 /nfs/dbraw/zinc/33/34/21/688333421.db2.gz DRXLNKRPPKBFKJ-GOSISDBHSA-N 1 0 355.463 2.136 20 30 FEEDRO COC[C@@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1C#N)[C@H]1CCCOC1 ZINC000886910903 688339519 /nfs/dbraw/zinc/33/95/19/688339519.db2.gz XNDVJNPEIRXLHG-XJKSGUPXSA-N 1 0 351.834 2.181 20 30 FEEDRO COC[C@@H]([NH2+]CC(=O)Nc1sc(C)c(C)c1C#N)[C@@H]1CCCOC1 ZINC000886913658 688340028 /nfs/dbraw/zinc/34/00/28/688340028.db2.gz HOILGGRZBKXCHQ-UKRRQHHQSA-N 1 0 351.472 2.206 20 30 FEEDRO CCN(CC)c1ccc(/C=[NH+]/CC2(S(=O)(=O)N(C)C)CC2)c(O)c1 ZINC000887272784 688397291 /nfs/dbraw/zinc/39/72/91/688397291.db2.gz VOKCIZUFXGOZPZ-LDADJPATSA-N 1 0 353.488 2.081 20 30 FEEDRO C#CCSCC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000889906556 688848085 /nfs/dbraw/zinc/84/80/85/688848085.db2.gz GIRUTZHBTKMCDS-QZTJIDSGSA-N 1 0 351.560 2.148 20 30 FEEDRO C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@H]1CCCN(O)C1=O ZINC000895162495 689669781 /nfs/dbraw/zinc/66/97/81/689669781.db2.gz LYXFFLZRQPTING-MFKMUULPSA-N 1 0 359.348 2.392 20 30 FEEDRO C#CCC1(O)CC[NH+](C[C@H]2COC(C)(C)N2C(=O)OC(C)(C)C)CC1 ZINC000895670848 689752293 /nfs/dbraw/zinc/75/22/93/689752293.db2.gz WNPMHFRXSMGPBO-HNNXBMFYSA-N 1 0 352.475 2.209 20 30 FEEDRO C#C[C@H](NC(=O)C1C[NH+](C2CCOCC2)C1)c1ccc(Cl)cc1F ZINC000897734497 690071882 /nfs/dbraw/zinc/07/18/82/690071882.db2.gz GOAQOKMONQKESK-KRWDZBQOSA-N 1 0 350.821 2.380 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)NC[C@H](c1ccc(Cl)cc1)N1CCOCC1 ZINC000900412589 690513970 /nfs/dbraw/zinc/51/39/70/690513970.db2.gz MFKLDMIWADPNIR-GOSISDBHSA-N 1 0 365.905 2.337 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)N1CCC[C@@H](C2N=NC(=S)N2C(C)C)C1 ZINC000900663852 690544804 /nfs/dbraw/zinc/54/48/04/690544804.db2.gz GXFUDVRRTUFUBQ-CQSZACIVSA-N 1 0 351.520 2.362 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)c2cccc([N+](=O)[O-])c2Br)CC1 ZINC000900666716 690545213 /nfs/dbraw/zinc/54/52/13/690545213.db2.gz KPUJVAJQFTULML-UHFFFAOYSA-N 1 0 366.215 2.185 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)N1CCN(C(=O)c2cc3occc3s2)CC1 ZINC000900818357 690568136 /nfs/dbraw/zinc/56/81/36/690568136.db2.gz ZXESSLHAEQMQCF-UHFFFAOYSA-N 1 0 361.467 2.287 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000900969502 690595102 /nfs/dbraw/zinc/59/51/02/690595102.db2.gz QJIFBAJUADSUIX-CVEARBPZSA-N 1 0 351.491 2.495 20 30 FEEDRO C=CCC[C@H](COc1ccccc1)[NH2+]C[C@]1(OC)CCS(=O)(=O)C1 ZINC000903363889 690886129 /nfs/dbraw/zinc/88/61/29/690886129.db2.gz SIZWWWDMGBVWAW-SJLPKXTDSA-N 1 0 353.484 2.194 20 30 FEEDRO C=CCC[C@H]([NH2+]C[C@]1(OC)CCS(=O)(=O)C1)[C@H]1Cc2ccccc2O1 ZINC000903364484 690886323 /nfs/dbraw/zinc/88/63/23/690886323.db2.gz XLAZMXVXBTUYNP-QXAKKESOSA-N 1 0 365.495 2.118 20 30 FEEDRO N#Cc1sccc1S(=O)(=O)N1C[C@H](C[NH3+])Cc2cc(F)ccc21 ZINC000903520826 690909274 /nfs/dbraw/zinc/90/92/74/690909274.db2.gz ZPELMLDSESNYBU-JTQLQIEISA-N 1 0 351.428 2.085 20 30 FEEDRO N#Cc1c(Cl)cccc1S(=O)(=O)N1CC[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903579727 690928369 /nfs/dbraw/zinc/92/83/69/690928369.db2.gz PXFCJEHINFZSCW-MWLCHTKSSA-N 1 0 367.780 2.112 20 30 FEEDRO C[C@](O)(C[NH2+][C@H]1CCCN(CC(F)(F)F)C1=O)C(F)(F)C(F)(F)F ZINC000905183737 691076855 /nfs/dbraw/zinc/07/68/55/691076855.db2.gz UXPBFSDLGDEITR-CBAPKCEASA-N 1 0 372.256 2.078 20 30 FEEDRO N#Cc1ccc(OC[C@H](O)C[NH2+]C[C@@H]2CCC[C@H](C(F)(F)F)O2)cc1 ZINC000905568604 691143141 /nfs/dbraw/zinc/14/31/41/691143141.db2.gz UVRFZWHZDYCYCC-VNQPRFMTSA-N 1 0 358.360 2.388 20 30 FEEDRO Cn1nc(C(F)(F)F)cc1C[NH2+]C[C@](C)(O)C(F)(F)C(F)(F)F ZINC000905570621 691143636 /nfs/dbraw/zinc/14/36/36/691143636.db2.gz ZMTOFZJVHPZRGS-QMMMGPOBSA-N 1 0 355.229 2.477 20 30 FEEDRO C[NH+]1CCC2(CCN2S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000907854015 691570729 /nfs/dbraw/zinc/57/07/29/691570729.db2.gz SWDQNYYRRVMGEW-UHFFFAOYSA-N 1 0 373.400 2.436 20 30 FEEDRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)ncc1C#N)C2 ZINC001164813178 720088246 /nfs/dbraw/zinc/08/82/46/720088246.db2.gz SWHULXSFEHZKEK-QAPCUYQASA-N 1 0 361.877 2.186 20 30 FEEDRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc(C(C)C)ccc3C#N)CC[C@H]2C1 ZINC001164855080 720837474 /nfs/dbraw/zinc/83/74/74/720837474.db2.gz SRUXYDDBGZPOIQ-PKOBYXMFSA-N 1 0 358.486 2.250 20 30 FEEDRO N#Cc1cnc(Cl)cc1N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164870885 721053099 /nfs/dbraw/zinc/05/30/99/721053099.db2.gz WZQQWQAZUBVRGX-IAGOWNOFSA-N 1 0 369.856 2.481 20 30 FEEDRO N#Cc1cnc(Cl)cc1N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164870883 721053741 /nfs/dbraw/zinc/05/37/41/721053741.db2.gz WZQQWQAZUBVRGX-DLBZAZTESA-N 1 0 369.856 2.481 20 30 FEEDRO Cc1cnc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)c(C=NO)c1 ZINC001164877040 721123270 /nfs/dbraw/zinc/12/32/70/721123270.db2.gz OFEXVUDMUYUOPJ-RTBURBONSA-N 1 0 367.453 2.073 20 30 FEEDRO Cc1nc(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)ccc1C#N ZINC001164884023 721422863 /nfs/dbraw/zinc/42/28/63/721422863.db2.gz CZNAEXZVNXBMDZ-CTNGQTDRSA-N 1 0 369.513 2.027 20 30 FEEDRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CNc1ccc(C#N)cn1 ZINC000497727513 887340029 /nfs/dbraw/zinc/34/00/29/887340029.db2.gz NEMIMLJHCUCAHR-LJQANCHMSA-N 1 0 363.465 2.346 20 30 FEEDRO N#Cc1ccc(CN2CC[NH+](C[C@H](O)COCc3cccs3)CC2)cc1 ZINC000025226629 539751439 /nfs/dbraw/zinc/75/14/39/539751439.db2.gz XDXBEJDDRYJKKM-IBGZPJMESA-N 1 0 371.506 2.315 20 30 FEEDRO N#Cc1ccc(CN2CC[NH+](C[C@@H](O)COCc3cccs3)CC2)cc1 ZINC000025226624 539751510 /nfs/dbraw/zinc/75/15/10/539751510.db2.gz XDXBEJDDRYJKKM-LJQANCHMSA-N 1 0 371.506 2.315 20 30 FEEDRO C[N@H+](CCC(=O)NC(=O)NCc1ccccc1)Cc1cccc(C#N)c1 ZINC000026329072 539784246 /nfs/dbraw/zinc/78/42/46/539784246.db2.gz URTCXGNWJDSQQF-UHFFFAOYSA-N 1 0 350.422 2.406 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)NCCC[N@@H+]2CCc3ccccc3C2)cc1 ZINC000026833009 539794165 /nfs/dbraw/zinc/79/41/65/539794165.db2.gz JNEIGYGTDCOESV-UHFFFAOYSA-N 1 0 355.463 2.285 20 30 FEEDRO C=C(C)C[N@@H+](CC)CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)OC ZINC000032758577 539951180 /nfs/dbraw/zinc/95/11/80/539951180.db2.gz BWKAGMPMRMLICM-GOSISDBHSA-N 1 0 357.454 2.266 20 30 FEEDRO Cc1n[nH]cc1CCCNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000045539355 540216707 /nfs/dbraw/zinc/21/67/07/540216707.db2.gz BSQVUZABEKPOPB-UHFFFAOYSA-N 1 0 368.485 2.296 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1COc2ccccc2O1 ZINC000047010948 540284550 /nfs/dbraw/zinc/28/45/50/540284550.db2.gz QTOYLDUWXFZPNI-FQEVSTJZSA-N 1 0 365.433 2.288 20 30 FEEDRO COc1ccc(C#N)cc1NC(=O)C(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000050166007 540402022 /nfs/dbraw/zinc/40/20/22/540402022.db2.gz BFQWLWBURYHVEX-OAHLLOKOSA-N 1 0 372.469 2.134 20 30 FEEDRO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000051053217 540420096 /nfs/dbraw/zinc/42/00/96/540420096.db2.gz KVOUWBUQTCPQMC-UHOSZYNNSA-N 1 0 373.497 2.315 20 30 FEEDRO N#CCc1ccc(OC[C@H](O)CN2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000052003681 540450948 /nfs/dbraw/zinc/45/09/48/540450948.db2.gz NPNNIXDGZRBVLZ-HXUWFJFHSA-N 1 0 357.498 2.443 20 30 FEEDRO CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCC(C(=O)Nc2cccc(C)n2)CC1 ZINC000053166897 540514694 /nfs/dbraw/zinc/51/46/94/540514694.db2.gz ATGKCHHCIJNZSW-HNNXBMFYSA-N 1 0 371.485 2.049 20 30 FEEDRO Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CCC[C@H]3C3CCCC3)CC2)o1 ZINC000055927421 540688170 /nfs/dbraw/zinc/68/81/70/540688170.db2.gz KUYCTOCGETXDSQ-SFHVURJKSA-N 1 0 371.485 2.158 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)CCc1nc(-c2ccsc2)no1 ZINC000064361509 541203338 /nfs/dbraw/zinc/20/33/38/541203338.db2.gz LVRLZKHSSQGTPH-UHFFFAOYSA-N 1 0 361.471 2.425 20 30 FEEDRO C=CCOc1cccc(NC(=O)C(=O)NC[C@H](C(C)C)[NH+]2CCCC2)c1 ZINC000067375396 541451715 /nfs/dbraw/zinc/45/17/15/541451715.db2.gz KJRWSMINKIFYRE-GOSISDBHSA-N 1 0 359.470 2.427 20 30 FEEDRO C[NH+](C)C1(CNC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CCCC1 ZINC000067381804 541452892 /nfs/dbraw/zinc/45/28/92/541452892.db2.gz PWFXLRNICDWBRN-UHFFFAOYSA-N 1 0 370.501 2.096 20 30 FEEDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1 ZINC000067397800 541456479 /nfs/dbraw/zinc/45/64/79/541456479.db2.gz AXSNUUOWUWEMIM-QWHCGFSZSA-N 1 0 362.861 2.387 20 30 FEEDRO CC(=O)NC[C@H]1CCC[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000067414835 541459739 /nfs/dbraw/zinc/45/97/39/541459739.db2.gz OJWXHSXZXJMBAT-CQSZACIVSA-N 1 0 362.861 2.388 20 30 FEEDRO C=C(C)COc1cccc(NC(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000067524876 541475191 /nfs/dbraw/zinc/47/51/91/541475191.db2.gz KUKKPRQCOUKDNZ-OAHLLOKOSA-N 1 0 357.454 2.181 20 30 FEEDRO C[C@@H]1C[C@H](NC(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CC[N@@H+]1C ZINC000542838645 541484465 /nfs/dbraw/zinc/48/44/65/541484465.db2.gz MWMDCBAFBLDSGZ-CHWSQXEVSA-N 1 0 356.405 2.487 20 30 FEEDRO Cc1noc(C)c1CNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000067761105 541509523 /nfs/dbraw/zinc/50/95/23/541509523.db2.gz ZYTFCAOZVGZTIH-UHFFFAOYSA-N 1 0 355.442 2.437 20 30 FEEDRO C[C@H](CNC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CCC(C)CC1 ZINC000067764221 541510049 /nfs/dbraw/zinc/51/00/49/541510049.db2.gz CUVPKUJQZOLMBF-CYBMUJFWSA-N 1 0 362.861 2.387 20 30 FEEDRO Cc1cc(N2CC[NH+](C)CC2)ccc1NS(=O)(=O)c1ccc(C#N)cc1 ZINC000068038682 541541137 /nfs/dbraw/zinc/54/11/37/541541137.db2.gz GCCSCGUZJLSWTE-UHFFFAOYSA-N 1 0 370.478 2.419 20 30 FEEDRO CCOC(=O)CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)c1cccc(C#N)c1 ZINC000068239980 541566815 /nfs/dbraw/zinc/56/68/15/541566815.db2.gz MEXDVDDAWUNYNY-SFHVURJKSA-N 1 0 357.454 2.438 20 30 FEEDRO Cc1ccc(C#N)cc1NC(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000069121860 541659594 /nfs/dbraw/zinc/65/95/94/541659594.db2.gz FHZUJVGVRJPJLS-SFHVURJKSA-N 1 0 362.433 2.196 20 30 FEEDRO COC(=O)[C@H](CC(C)C)NC(=O)C[N@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000069520422 541693331 /nfs/dbraw/zinc/69/33/31/541693331.db2.gz LYWMUSIVOWUISU-SFHVURJKSA-N 1 0 359.470 2.473 20 30 FEEDRO Cc1ccnc(NCCCC[NH+]2CCN(c3ncccn3)CC2)c1C#N ZINC000544069305 541709048 /nfs/dbraw/zinc/70/90/48/541709048.db2.gz UFIJLGJMVCRNIE-UHFFFAOYSA-N 1 0 351.458 2.066 20 30 FEEDRO CC(C)CC[N@H+](CCC#N)CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000072691630 541851687 /nfs/dbraw/zinc/85/16/87/541851687.db2.gz HWWOHIZAZZDHSP-UHFFFAOYSA-N 1 0 357.502 2.382 20 30 FEEDRO CC[NH+](CC)[C@@H]1CCN(CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1 ZINC000072835564 541877491 /nfs/dbraw/zinc/87/74/91/541877491.db2.gz XJLKVIWQBPFWOS-GOSISDBHSA-N 1 0 366.469 2.099 20 30 FEEDRO COCC[N@H+](C)CCCNC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000073721192 541990906 /nfs/dbraw/zinc/99/09/06/541990906.db2.gz GXAPKFCJZNUJJU-OALUTQOASA-N 1 0 358.486 2.436 20 30 FEEDRO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1CCC(C(=O)N(C)C)CC1 ZINC000073769611 541997724 /nfs/dbraw/zinc/99/77/24/541997724.db2.gz RDCIMPBPLQWDGE-LFDOHDQPSA-N 1 0 362.518 2.106 20 30 FEEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@H+](C)CC(=O)N(C)C)sc2C1 ZINC000074022445 542026781 /nfs/dbraw/zinc/02/67/81/542026781.db2.gz JVWGJAAFORSEFO-LBPRGKRZSA-N 1 0 362.499 2.093 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1nc2ccccc2c(=O)[nH]1)C(C)C ZINC000074273908 542062028 /nfs/dbraw/zinc/06/20/28/542062028.db2.gz UZEBNKSLMLOLTC-QGZVFWFLSA-N 1 0 354.454 2.352 20 30 FEEDRO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N1CC[NH+](C(C)C)CC1 ZINC000075635575 542194263 /nfs/dbraw/zinc/19/42/63/542194263.db2.gz GTPVTLLUSGRMOK-QGZVFWFLSA-N 1 0 358.486 2.356 20 30 FEEDRO C=CCCC[N@@H+](C)[C@@H](C)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F ZINC000076736139 542319267 /nfs/dbraw/zinc/31/92/67/542319267.db2.gz LDZOWJAGYKQVPX-NSHDSACASA-N 1 0 357.376 2.445 20 30 FEEDRO N#CCCn1cc(C[NH2+]C[C@H](O)C2CCOCC2)c(-c2ccccc2)n1 ZINC000076907263 542329139 /nfs/dbraw/zinc/32/91/39/542329139.db2.gz RIOYGODUBNNIDA-IBGZPJMESA-N 1 0 354.454 2.341 20 30 FEEDRO CN1CC[NH+](C[C@@H]2CCCN(C(=O)/C=C/c3ccccc3C#N)C2)CC1 ZINC000077452798 542384112 /nfs/dbraw/zinc/38/41/12/542384112.db2.gz LERWITFSEXMXBD-BLGFXRMMSA-N 1 0 352.482 2.057 20 30 FEEDRO C=CCCCN(C)C(=O)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000077594700 542402015 /nfs/dbraw/zinc/40/20/15/542402015.db2.gz QWOINYWNRFSCRA-LJQANCHMSA-N 1 0 372.513 2.492 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N2CCC(OC[C@@H]3CCCCO3)CC2)CC1 ZINC000078331668 542455595 /nfs/dbraw/zinc/45/55/95/542455595.db2.gz UWANISDWPJZQAR-IBGZPJMESA-N 1 0 365.518 2.397 20 30 FEEDRO Cc1ccc(CNC(=O)CO/[NH+]=C/c2ccc(N3CCOCC3)cc2)cc1 ZINC000078540193 542466248 /nfs/dbraw/zinc/46/62/48/542466248.db2.gz LZAQTADYJDUVPA-HZHRSRAPSA-N 1 0 367.449 2.499 20 30 FEEDRO N#Cc1ccsc1N1CC[C@H](OC(=O)C2CC[NH+](C3CC3)CC2)C1=O ZINC000801873429 674153518 /nfs/dbraw/zinc/15/35/18/674153518.db2.gz SMHRVZFLWXMBRQ-HNNXBMFYSA-N 1 0 359.451 2.143 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)NCc2nccn2CCc2ccccc2)CC1 ZINC000081930180 542680245 /nfs/dbraw/zinc/68/02/45/542680245.db2.gz WHEOSIKUBLRVBT-UHFFFAOYSA-N 1 0 350.466 2.087 20 30 FEEDRO CS(=O)(=O)c1ccc(CNC(=[NH2+])N[C@H]2CCOc3ccccc32)cc1 ZINC000083030897 542690532 /nfs/dbraw/zinc/69/05/32/542690532.db2.gz IWMPWGAQGZCYCJ-INIZCTEOSA-N 1 0 359.451 2.018 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N2CCC(OC[C@H]3CCCO3)CC2)CC1 ZINC000083655154 542699501 /nfs/dbraw/zinc/69/95/01/542699501.db2.gz OZLQGTRCFGQBFF-GOSISDBHSA-N 1 0 351.491 2.006 20 30 FEEDRO CNC(=O)c1cc(NC(=O)N(CCC#N)CCC[NH+](C)C)ccc1Cl ZINC000086283357 542734652 /nfs/dbraw/zinc/73/46/52/542734652.db2.gz RUODEWAAKNMDDS-UHFFFAOYSA-N 1 0 365.865 2.399 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N2CCC[C@@H](C(C)(C)C(=O)OC)C2)CC1 ZINC000089212232 542758835 /nfs/dbraw/zinc/75/88/35/542758835.db2.gz UBRRRKCUQSQHKY-OAHLLOKOSA-N 1 0 351.491 2.258 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@H](C)Cc2ccc(OC)cc2)c1C#N ZINC000089677844 542768290 /nfs/dbraw/zinc/76/82/90/542768290.db2.gz RKJZXGZGSAIXOI-CYBMUJFWSA-N 1 0 355.442 2.259 20 30 FEEDRO C#CCNC(=O)c1ccc(N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)nc1 ZINC000091476029 542809110 /nfs/dbraw/zinc/80/91/10/542809110.db2.gz XUGVSSQGCJSNKX-SFHVURJKSA-N 1 0 354.498 2.393 20 30 FEEDRO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+](C)CCCc2ccccc2)CC1 ZINC000091538799 542811846 /nfs/dbraw/zinc/81/18/46/542811846.db2.gz HJMPTXDTTRBPLY-FQEVSTJZSA-N 1 0 356.514 2.243 20 30 FEEDRO COc1ccc(-n2nc(C(=O)N(CCC#N)CCC[NH+](C)C)cc2C)cc1 ZINC000092342599 542858506 /nfs/dbraw/zinc/85/85/06/542858506.db2.gz ICMLUAIMBDVHKQ-UHFFFAOYSA-N 1 0 369.469 2.497 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)Nc1ccc(F)c(C#N)c1)C(C)C ZINC000102962986 543086900 /nfs/dbraw/zinc/08/69/00/543086900.db2.gz KMCWAMWWWKEDKK-GOSISDBHSA-N 1 0 372.444 2.451 20 30 FEEDRO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000104075735 543122432 /nfs/dbraw/zinc/12/24/32/543122432.db2.gz LQMASQYUEJINOH-STQMWFEESA-N 1 0 374.510 2.413 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C2=NN(Cc3ccccc3)C(=O)CC2)CC1 ZINC000106036120 543186130 /nfs/dbraw/zinc/18/61/30/543186130.db2.gz KDPCXHOIXPSTPM-UHFFFAOYSA-N 1 0 368.481 2.322 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)CC1 ZINC000106039521 543187030 /nfs/dbraw/zinc/18/70/30/543187030.db2.gz BGUHGOVXEUZQCN-UHFFFAOYSA-N 1 0 361.398 2.152 20 30 FEEDRO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+](C)C[C@@H]1CCCN1c1cccnn1 ZINC000106089296 543193912 /nfs/dbraw/zinc/19/39/12/543193912.db2.gz KFUJRUMCAQDDNX-YJBOKZPZSA-N 1 0 364.453 2.276 20 30 FEEDRO COc1ccc([C@@H](CNC(=O)N2CCO[C@@H](C#N)C2)[NH+]2CCCCC2)cc1 ZINC000106328120 543223680 /nfs/dbraw/zinc/22/36/80/543223680.db2.gz BCCPFDLNUPZGRA-RBUKOAKNSA-N 1 0 372.469 2.156 20 30 FEEDRO CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccccc2SCCC#N)C1 ZINC000108611365 543297777 /nfs/dbraw/zinc/29/77/77/543297777.db2.gz FMAFKFRJBSZSTD-HNNXBMFYSA-N 1 0 374.510 2.479 20 30 FEEDRO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)NCc2ccc(C#N)cc2F)CC1 ZINC000108575809 543295465 /nfs/dbraw/zinc/29/54/65/543295465.db2.gz QOEGVUOVMNFNFV-SFHVURJKSA-N 1 0 373.476 2.009 20 30 FEEDRO Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000247451446 549335460 /nfs/dbraw/zinc/33/54/60/549335460.db2.gz QGTFLOYDWFXLTF-GUYCJALGSA-N 1 0 368.485 2.092 20 30 FEEDRO N#Cc1ccccc1NC(=O)CC[N@@H+]1CCC[C@H]1C(=O)NCc1ccco1 ZINC000109093653 543314091 /nfs/dbraw/zinc/31/40/91/543314091.db2.gz QTBICPLEQRSLLH-SFHVURJKSA-N 1 0 366.421 2.261 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N2CSC[C@@H]2C(=O)Nc2ccccc2C)CC1 ZINC000109213818 543318276 /nfs/dbraw/zinc/31/82/76/543318276.db2.gz CIKUHCYNCCHXEX-GOSISDBHSA-N 1 0 371.506 2.180 20 30 FEEDRO CNC(=O)[C@@H]1CCC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)C1 ZINC000111267318 543390756 /nfs/dbraw/zinc/39/07/56/543390756.db2.gz GSDPJQVVGBUSLC-CYBMUJFWSA-N 1 0 374.510 2.285 20 30 FEEDRO CCC[NH+]1CCC(N2CCN(CCOc3ccccc3C#N)CC2)CC1 ZINC000112358259 543443543 /nfs/dbraw/zinc/44/35/43/543443543.db2.gz XMZDSFLFHHXKCX-UHFFFAOYSA-N 1 0 356.514 2.429 20 30 FEEDRO C[C@H](Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1)C(=O)N(C)CCC#N ZINC000112535405 543450618 /nfs/dbraw/zinc/45/06/18/543450618.db2.gz PDWRJDRGJKLPDT-KRWDZBQOSA-N 1 0 369.513 2.391 20 30 FEEDRO C=CCN1C(=O)c2ccc(C(=O)NCC[N@H+]3CCCC[C@@H]3CC)cc2C1=O ZINC000113199026 543476758 /nfs/dbraw/zinc/47/67/58/543476758.db2.gz DOCYYADPFNZUKW-INIZCTEOSA-N 1 0 369.465 2.463 20 30 FEEDRO CCCCN(CCCC)C(=O)CN1CCN(c2nccnc2C#N)C[C@H]1C ZINC000247462809 549337515 /nfs/dbraw/zinc/33/75/15/549337515.db2.gz UNLWFFUVHCAEMT-QGZVFWFLSA-N 1 0 372.517 2.288 20 30 FEEDRO C=CC[C@H](C)NC(=O)C(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000117074391 543622767 /nfs/dbraw/zinc/62/27/67/543622767.db2.gz FXTUCPJJPWLTAF-INIZCTEOSA-N 1 0 370.497 2.238 20 30 FEEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000118100861 543644412 /nfs/dbraw/zinc/64/44/12/543644412.db2.gz ICSFLRSNPMUGLJ-BBRMVZONSA-N 1 0 374.510 2.476 20 30 FEEDRO C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CCCN(C(=O)C2CC2)CC1 ZINC000121478835 543694805 /nfs/dbraw/zinc/69/48/05/543694805.db2.gz KXXAKYTYHDTQHZ-QGZVFWFLSA-N 1 0 368.481 2.266 20 30 FEEDRO C=CCN(C)CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 ZINC000121514323 543695753 /nfs/dbraw/zinc/69/57/53/543695753.db2.gz OOOCKFRRSBXYMI-HNNXBMFYSA-N 1 0 356.470 2.474 20 30 FEEDRO C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)Nc3ccc(C(C)(C)C#N)cc3)CC[C@@H]21 ZINC000120318113 543678243 /nfs/dbraw/zinc/67/82/43/543678243.db2.gz IVMOQYVBXKEIQU-YJBOKZPZSA-N 1 0 368.481 2.369 20 30 FEEDRO N#CCC[C@@H](C#N)CN1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000120298271 543678356 /nfs/dbraw/zinc/67/83/56/543678356.db2.gz PRMCIARGNFCJMY-SFHVURJKSA-N 1 0 359.518 2.134 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1cc(F)ccc1Cl ZINC000122107942 543703897 /nfs/dbraw/zinc/70/38/97/543703897.db2.gz HGLFPASZRJUBCX-UHFFFAOYSA-N 1 0 354.813 2.112 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1ccc(F)cc1Cl ZINC000122158379 543704629 /nfs/dbraw/zinc/70/46/29/543704629.db2.gz SGXXDDVIWRGYBV-UHFFFAOYSA-N 1 0 354.813 2.112 20 30 FEEDRO CC1CCN(C(=[NH2+])NCc2cccc(C(=O)NC[C@H]3CCCO3)c2)CC1 ZINC000122493059 543707894 /nfs/dbraw/zinc/70/78/94/543707894.db2.gz KBKIHEWWNVFABA-GOSISDBHSA-N 1 0 358.486 2.142 20 30 FEEDRO CCC(CC)[C@H](C[NH2+]Cc1cnc2ccc(C#N)cn12)N1CCOCC1 ZINC000123256192 543751438 /nfs/dbraw/zinc/75/14/38/543751438.db2.gz OSBCQGZYJMGETE-IBGZPJMESA-N 1 0 355.486 2.433 20 30 FEEDRO C=CCOc1ccc(C[N@@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)cc1OC ZINC000124483564 543824883 /nfs/dbraw/zinc/82/48/83/543824883.db2.gz SRQRAGCDBQKBCA-GOSISDBHSA-N 1 0 374.481 2.331 20 30 FEEDRO CC(C)[C@@](C)(C#N)NC(=O)CNc1ccc(N2CCCCC2)cc1C(N)=O ZINC000124124728 543801876 /nfs/dbraw/zinc/80/18/76/543801876.db2.gz RDMBZORJRBMMKS-HXUWFJFHSA-N 1 0 371.485 2.242 20 30 FEEDRO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+](C)CC(C)(C)CN1CCOCC1 ZINC000124202686 543806336 /nfs/dbraw/zinc/80/63/36/543806336.db2.gz WFXRMGGAUMJPOY-QGZVFWFLSA-N 1 0 364.534 2.008 20 30 FEEDRO C[NH+](C)CC[C@@H]([N-]S(=O)(=O)c1c(F)cc(C#N)cc1F)C(C)(C)C ZINC000125489729 543884629 /nfs/dbraw/zinc/88/46/29/543884629.db2.gz YGMKJGRPMDHKGB-CQSZACIVSA-N 1 0 359.442 2.481 20 30 FEEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)NCC[NH2+]C(C)(C)C ZINC000127890877 544019677 /nfs/dbraw/zinc/01/96/77/544019677.db2.gz AUVYTBXTOASHLU-ZDUSSCGKSA-N 1 0 362.499 2.381 20 30 FEEDRO C[C@H]1C[C@@H](NC(=O)N2CCCN(c3ccccc3C#N)CC2)C[N@@H+]1C1CC1 ZINC000127901966 544021031 /nfs/dbraw/zinc/02/10/31/544021031.db2.gz GWWNTMNYZDFVOG-FUHWJXTLSA-N 1 0 367.497 2.405 20 30 FEEDRO CC[C@H](CC#N)NC(=O)C(=O)Nc1cccc(CN2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000128094271 544032311 /nfs/dbraw/zinc/03/23/11/544032311.db2.gz KMKCVVWICOVKLQ-HLLBOEOZSA-N 1 0 372.469 2.043 20 30 FEEDRO CC(C)C[N@@H+]1CCC[C@H](CNS(=O)(=O)c2ccc(F)cc2C#N)C1 ZINC000128710805 544067655 /nfs/dbraw/zinc/06/76/55/544067655.db2.gz QMPBTBIIWDYDBE-CQSZACIVSA-N 1 0 353.463 2.344 20 30 FEEDRO Cn1cc(C[N@@H+]2CCCN(c3ncccc3C#N)CC2)c(-c2cccnc2)n1 ZINC000129654074 544121727 /nfs/dbraw/zinc/12/17/27/544121727.db2.gz RHPHWFARFTTZNR-UHFFFAOYSA-N 1 0 373.464 2.461 20 30 FEEDRO CC(C)[C@@H](CNC(=O)C(C)(C)Oc1ccc(C#N)cc1)[NH+]1CCN(C)CC1 ZINC000129732132 544125546 /nfs/dbraw/zinc/12/55/46/544125546.db2.gz LYBNVKYCMHOGEE-LJQANCHMSA-N 1 0 372.513 2.104 20 30 FEEDRO CCN(CC(=O)Nc1c(C)cccc1C)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000130175621 544141261 /nfs/dbraw/zinc/14/12/61/544141261.db2.gz TUMULNKGDFCIGY-FQEVSTJZSA-N 1 0 356.470 2.372 20 30 FEEDRO C=CC[N@@H+](Cc1ccc(OC)cc1)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000131143695 544178397 /nfs/dbraw/zinc/17/83/97/544178397.db2.gz IRESTMQBKKFRJY-QGZVFWFLSA-N 1 0 352.500 2.355 20 30 FEEDRO COc1cc(C#N)ccc1OCC(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000132200508 544222810 /nfs/dbraw/zinc/22/28/10/544222810.db2.gz ZWGSSQIRTVMOMS-GOSISDBHSA-N 1 0 367.449 2.235 20 30 FEEDRO CC[NH+](CC)CCOc1ccc(NC(=O)C(=O)N(C)[C@@H](C)CC#N)cc1 ZINC000132248574 544224294 /nfs/dbraw/zinc/22/42/94/544224294.db2.gz IXHOVQCURSBBPP-HNNXBMFYSA-N 1 0 360.458 2.106 20 30 FEEDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1ccccc1O[C@@H](C)C#N ZINC000133418019 544269245 /nfs/dbraw/zinc/26/92/45/544269245.db2.gz VCEWRWMROMICEQ-XHSDSOJGSA-N 1 0 370.453 2.001 20 30 FEEDRO C=C[C@@H](C)NC(=O)C(=O)Nc1cc(Cl)ccc1N1CC[NH+](CC)CC1 ZINC000133911539 544287642 /nfs/dbraw/zinc/28/76/42/544287642.db2.gz SZLIFFDSEJSJDR-CYBMUJFWSA-N 1 0 364.877 2.111 20 30 FEEDRO C=CCCCCC[N@@H+](C)[C@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000150894927 544483862 /nfs/dbraw/zinc/48/38/62/544483862.db2.gz URUYLWZZGQQJBC-CQSZACIVSA-N 1 0 353.488 2.339 20 30 FEEDRO C[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)C[N@@H+]1C1CC1 ZINC000151790656 544579922 /nfs/dbraw/zinc/57/99/22/544579922.db2.gz MHJYWFDVKKKZLF-XJKSGUPXSA-N 1 0 354.454 2.168 20 30 FEEDRO CC(C)(C)[N@H+](CCC(=O)Nc1ccccc1C#N)CCS(C)(=O)=O ZINC000152250323 544630528 /nfs/dbraw/zinc/63/05/28/544630528.db2.gz WLKJUGSNTWSOQA-UHFFFAOYSA-N 1 0 351.472 2.032 20 30 FEEDRO CCNC(=O)N1CC[C@H]([NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000152676492 544682268 /nfs/dbraw/zinc/68/22/68/544682268.db2.gz GCXBNPGUTMMGSP-SFHVURJKSA-N 1 0 366.469 2.357 20 30 FEEDRO CCNC(=O)N1CC[C@H]([NH2+]Cc2ccc(OC)c(OCCCC#N)c2)C1 ZINC000152686635 544683521 /nfs/dbraw/zinc/68/35/21/544683521.db2.gz UWWJCEJPKGHIRO-INIZCTEOSA-N 1 0 360.458 2.271 20 30 FEEDRO C[C@H](C(=O)N1c2ccccc2C[C@H]1C)[N@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000153267441 544753763 /nfs/dbraw/zinc/75/37/63/544753763.db2.gz WNQRDVAWHWAXRU-ZIAGYGMSSA-N 1 0 366.469 2.094 20 30 FEEDRO C[C@H](C(=O)NC[C@@H](C)c1ccccc1)[N@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000153291105 544757454 /nfs/dbraw/zinc/75/74/54/544757454.db2.gz DZEYCEJDUYQDAD-HUUCEWRRSA-N 1 0 368.485 2.036 20 30 FEEDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2CC(Oc3ccc(C#N)cc3)C2)C1 ZINC000153511334 544784329 /nfs/dbraw/zinc/78/43/29/544784329.db2.gz OMCDXKGTHZOBGB-QGZVFWFLSA-N 1 0 356.470 2.309 20 30 FEEDRO CN(CC[NH+](C)C)C(=O)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000154793200 544950834 /nfs/dbraw/zinc/95/08/34/544950834.db2.gz XOZQLXMIUXYVFO-UHFFFAOYSA-N 1 0 366.421 2.309 20 30 FEEDRO C=C(C[NH+](C)C)C(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000803545895 674248881 /nfs/dbraw/zinc/24/88/81/674248881.db2.gz QODWWWCIGFUWJJ-UHFFFAOYSA-N 1 0 368.231 2.360 20 30 FEEDRO Cn1cc(C[NH2+]CCC(=O)N2CCCCC2)c(-c2ccc(C#N)cc2)n1 ZINC000180061383 327669479 /nfs/dbraw/zinc/66/94/79/327669479.db2.gz FHGMOVWEOYYEDQ-UHFFFAOYSA-N 1 0 351.454 2.451 20 30 FEEDRO C[C@H]([NH2+]CCCN1CCN(c2ncccn2)CC1)c1cccc(C#N)c1 ZINC000181464425 327732140 /nfs/dbraw/zinc/73/21/40/327732140.db2.gz BZJZGQMBKWFJQY-KRWDZBQOSA-N 1 0 350.470 2.211 20 30 FEEDRO CCOC(=O)C1CCN(C(=O)C[C@H](C)[NH2+]Cc2cccc(C#N)c2)CC1 ZINC000183409449 327816028 /nfs/dbraw/zinc/81/60/28/327816028.db2.gz ZGLAMTMLVKLSFK-HNNXBMFYSA-N 1 0 357.454 2.228 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1nc2ccccn2n1 ZINC000184372454 327864391 /nfs/dbraw/zinc/86/43/91/327864391.db2.gz OHRUNIDNTDPAMW-UHFFFAOYSA-N 1 0 363.425 2.197 20 30 FEEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)N[C@H]3CCC[C@@H]3CCO)CC2)cc1 ZINC000188375300 328083202 /nfs/dbraw/zinc/08/32/02/328083202.db2.gz OAQMYAZDCAOOBD-UXHICEINSA-N 1 0 370.497 2.327 20 30 FEEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000188398827 328084415 /nfs/dbraw/zinc/08/44/15/328084415.db2.gz RXXIRROYUXAYQA-UHFFFAOYSA-N 1 0 367.409 2.253 20 30 FEEDRO Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)Nc2ccc(F)c(C#N)c2)o1 ZINC000189370920 328143926 /nfs/dbraw/zinc/14/39/26/328143926.db2.gz BXOHRXUOECVAHD-UHFFFAOYSA-N 1 0 372.400 2.128 20 30 FEEDRO COC[C@H](Cc1ccccc1)[N@H+](C)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000191501077 328268755 /nfs/dbraw/zinc/26/87/55/328268755.db2.gz XFSKWVRVFJUTDK-VQTJNVASSA-N 1 0 354.450 2.487 20 30 FEEDRO Cn1cc(C[NH2+][C@H]2CCCN(Cc3ccc(F)cc3F)C2=O)cc1C#N ZINC000191623616 328274445 /nfs/dbraw/zinc/27/44/45/328274445.db2.gz HIEQBANYMOMBCI-SFHVURJKSA-N 1 0 358.392 2.456 20 30 FEEDRO CCCC[C@@H]1CCC[C@H]1[NH2+]CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 ZINC000191831131 328284015 /nfs/dbraw/zinc/28/40/15/328284015.db2.gz NJZBSJXCVDMQNG-IAGOWNOFSA-N 1 0 373.501 2.452 20 30 FEEDRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000192523329 328323421 /nfs/dbraw/zinc/32/34/21/328323421.db2.gz WIODIVXDJNTUJA-HNNXBMFYSA-N 1 0 373.501 2.434 20 30 FEEDRO CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)NCCC[NH+]1CCCCC1 ZINC000192528028 328323694 /nfs/dbraw/zinc/32/36/94/328323694.db2.gz ZBEJSNOFPIWHTQ-UHFFFAOYSA-N 1 0 359.474 2.045 20 30 FEEDRO C[C@@H]1C[NH+](Cc2ccc(CNC(=O)c3ccnc(C#N)c3)cc2)C[C@@H](C)O1 ZINC000192651437 328330892 /nfs/dbraw/zinc/33/08/92/328330892.db2.gz ODRKMROSIRIERN-HZPDHXFCSA-N 1 0 364.449 2.492 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)S(=O)(=O)c1ccccc1F ZINC000047281104 324630978 /nfs/dbraw/zinc/63/09/78/324630978.db2.gz MUSGCTLBRQAIPW-UHFFFAOYSA-N 1 0 361.442 2.450 20 30 FEEDRO N#Cc1ccc(NC(=O)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000048622634 324668659 /nfs/dbraw/zinc/66/86/59/324668659.db2.gz HKXWKCJSKQPGGV-UHFFFAOYSA-N 1 0 362.433 2.278 20 30 FEEDRO CC(C)[NH+](CCNC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1)C(C)C ZINC000048693578 324671340 /nfs/dbraw/zinc/67/13/40/324671340.db2.gz QDMSKAJTSLKHRB-UHFFFAOYSA-N 1 0 350.850 2.385 20 30 FEEDRO CC(C)(CNC(=O)N1CCN(c2ccc(C#N)cn2)CC1)[NH+]1CCCCC1 ZINC000052499200 324716359 /nfs/dbraw/zinc/71/63/59/324716359.db2.gz AAUIVVCPWNNQTN-UHFFFAOYSA-N 1 0 370.501 2.049 20 30 FEEDRO CCC[NH+]1CCC(N(C)C(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000065876440 324880924 /nfs/dbraw/zinc/88/09/24/324880924.db2.gz VFLQPTWQAYABPP-UHFFFAOYSA-N 1 0 362.861 2.483 20 30 FEEDRO N#Cc1c(F)cccc1N1CCN(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000079458922 325091567 /nfs/dbraw/zinc/09/15/67/325091567.db2.gz WCFHABWVKSDIOI-HNNXBMFYSA-N 1 0 371.460 2.013 20 30 FEEDRO CC(C)[NH+](CCCNC(=O)N1CCN(c2ncccc2C#N)CC1)C(C)C ZINC000080729274 325142205 /nfs/dbraw/zinc/14/22/05/325142205.db2.gz UCIFESPCWZUFTP-UHFFFAOYSA-N 1 0 372.517 2.294 20 30 FEEDRO COc1ccc(C[NH2+]C[C@H]2C[C@@H](O)CN2Cc2ccccc2)cc1C#N ZINC000089799483 325333832 /nfs/dbraw/zinc/33/38/32/325333832.db2.gz HAFBPDHAWRQVHO-WOJBJXKFSA-N 1 0 351.450 2.292 20 30 FEEDRO CCn1c(C[N@H+](C)CCCc2[nH]nc(N)c2C#N)nc2cc(F)ccc21 ZINC000089943783 325344572 /nfs/dbraw/zinc/34/45/72/325344572.db2.gz OEHNEXIFUVIIKX-UHFFFAOYSA-N 1 0 355.421 2.437 20 30 FEEDRO CS(=O)(=O)Nc1ccc(OCC[NH2+]Cc2cc(C#N)cs2)cc1 ZINC000091069827 325372224 /nfs/dbraw/zinc/37/22/24/325372224.db2.gz LWFSDHKNEZNYRP-UHFFFAOYSA-N 1 0 351.453 2.160 20 30 FEEDRO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccc(F)c(C#N)c1)C1CCCCC1 ZINC000102962823 325502717 /nfs/dbraw/zinc/50/27/17/325502717.db2.gz VCRQEUVJJHZDNA-KRWDZBQOSA-N 1 0 360.433 2.263 20 30 FEEDRO CCN1CC[NH+](C[C@@H](C)CNC(=O)CSCc2ccc(C#N)cc2)CC1 ZINC000122191119 326387553 /nfs/dbraw/zinc/38/75/53/326387553.db2.gz FEDNDLZBBCUYCE-KRWDZBQOSA-N 1 0 374.554 2.181 20 30 FEEDRO CCC[NH+]1CCC(N2CCN(Cc3cnc4ccc(C#N)cn34)CC2)CC1 ZINC000124463915 326454333 /nfs/dbraw/zinc/45/43/33/326454333.db2.gz AHFLWKVBRLGSOZ-UHFFFAOYSA-N 1 0 366.513 2.198 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2ccccc2Br)c1C#N ZINC000128133205 326518481 /nfs/dbraw/zinc/51/84/81/326518481.db2.gz TWQZBMDKXMTFCJ-UHFFFAOYSA-N 1 0 362.231 2.448 20 30 FEEDRO N#Cc1ccc2ncc(CNC3CC[NH+]([C@H]4CCCC[C@@H]4O)CC3)n2c1 ZINC000136598690 326653549 /nfs/dbraw/zinc/65/35/49/326653549.db2.gz RIHMODCAWMDXAM-OALUTQOASA-N 1 0 353.470 2.063 20 30 FEEDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3ccc(C#N)cc3C)cn2)CC1 ZINC000161842803 327010481 /nfs/dbraw/zinc/01/04/81/327010481.db2.gz IKUHMFIJVGCJGY-UHFFFAOYSA-N 1 0 363.465 2.334 20 30 FEEDRO COc1ccccc1OC[C@H](C)C[NH2+][C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000162324677 327022652 /nfs/dbraw/zinc/02/26/52/327022652.db2.gz GDCKRRVPALCTOH-KUHUBIRLSA-N 1 0 353.422 2.398 20 30 FEEDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NS(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000162370794 327023951 /nfs/dbraw/zinc/02/39/51/327023951.db2.gz LPSSPJLBBWBLLF-LIRRHRJNSA-N 1 0 373.453 2.496 20 30 FEEDRO CN(CC1CCN(c2cc[nH+]cc2)CC1)S(=O)(=O)c1cccc(C#N)c1 ZINC000165944228 327080069 /nfs/dbraw/zinc/08/00/69/327080069.db2.gz DHPJBQAUIFTNGM-UHFFFAOYSA-N 1 0 370.478 2.490 20 30 FEEDRO CC(C)[N@H+](C)Cc1ccccc1CNS(=O)(=O)c1ccc(C#N)nc1 ZINC000170662196 327091942 /nfs/dbraw/zinc/09/19/42/327091942.db2.gz HYIYYRWADZDNHK-UHFFFAOYSA-N 1 0 358.467 2.272 20 30 FEEDRO C[NH+](C)CCN(CCCc1ccccc1)S(=O)(=O)c1ccc(C#N)nc1 ZINC000171084810 327116838 /nfs/dbraw/zinc/11/68/38/327116838.db2.gz BMODFRTWQYVDBF-UHFFFAOYSA-N 1 0 372.494 2.138 20 30 FEEDRO N#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@@H](OCCO)C2)cc1Cl ZINC000172295734 327193567 /nfs/dbraw/zinc/19/35/67/327193567.db2.gz GBBLMAMZKILVCW-OAHLLOKOSA-N 1 0 351.834 2.014 20 30 FEEDRO Cc1cccc(NC(=O)C(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1C#N ZINC000174636049 327340237 /nfs/dbraw/zinc/34/02/37/327340237.db2.gz ROMDIVFRHJYXJD-GJZGRUSLSA-N 1 0 356.470 2.289 20 30 FEEDRO Cc1cccc(NC(=O)C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)c1C#N ZINC000174882346 327357825 /nfs/dbraw/zinc/35/78/25/327357825.db2.gz ZBYRRIMMBCFNGF-UHFFFAOYSA-N 1 0 368.412 2.322 20 30 FEEDRO Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000177491759 327526160 /nfs/dbraw/zinc/52/61/60/327526160.db2.gz PIXIITNRMVHROO-DLBZAZTESA-N 1 0 368.485 2.139 20 30 FEEDRO Cc1c(C#N)cccc1NC(=O)C(=O)NC[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000178447096 327585825 /nfs/dbraw/zinc/58/58/25/327585825.db2.gz LXVOIGOQKIYAMZ-XOBRGWDASA-N 1 0 356.470 2.432 20 30 FEEDRO N#Cc1cc(S(=O)(=O)N2CCC3(C2)CC[NH2+]CC3)ccc1C(F)(F)F ZINC000262309901 328858409 /nfs/dbraw/zinc/85/84/09/328858409.db2.gz OVQHRTOPBLWLGQ-UHFFFAOYSA-N 1 0 373.400 2.341 20 30 FEEDRO CCOC(=O)N1CCC(NC(=O)CCC[NH2+]Cc2cccc(C#N)c2)CC1 ZINC000264932613 329075868 /nfs/dbraw/zinc/07/58/68/329075868.db2.gz BHTJBZWOHSLOCV-UHFFFAOYSA-N 1 0 372.469 2.165 20 30 FEEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)CNC(=O)C1CCCCC1 ZINC000265222507 329103960 /nfs/dbraw/zinc/10/39/60/329103960.db2.gz ABOTYMYHYBNGJT-UHFFFAOYSA-N 1 0 370.497 2.145 20 30 FEEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+](C)[C@H]3CCN(C)C3=O)sc2C1 ZINC000265677708 329149172 /nfs/dbraw/zinc/14/91/72/329149172.db2.gz ZTKUSZOCMQCTSM-DOMZBBRYSA-N 1 0 374.510 2.236 20 30 FEEDRO COCC[N@@H+]1CC[C@H](NC(=O)Nc2cc(C#N)ccc2OC(F)F)C1 ZINC000265998465 329180446 /nfs/dbraw/zinc/18/04/46/329180446.db2.gz RDHPIIVOTDVJDU-LBPRGKRZSA-N 1 0 354.357 2.002 20 30 FEEDRO CCNC(=O)COc1cccc(C[NH2+]Cc2ccc(OC)c(C#N)c2)c1 ZINC000266247158 329204493 /nfs/dbraw/zinc/20/44/93/329204493.db2.gz ZBQXIIKZDMTGTR-UHFFFAOYSA-N 1 0 353.422 2.372 20 30 FEEDRO C[NH+]1CCC([C@H]2CCN(C(=O)C(=O)Nc3cc(C#N)ccc3Cl)C2)CC1 ZINC000270235861 329584232 /nfs/dbraw/zinc/58/42/32/329584232.db2.gz MZRXZEXRKBEPHX-HNNXBMFYSA-N 1 0 374.872 2.340 20 30 FEEDRO C[C@@H]([NH2+]CCCOc1cccc(C#N)c1)c1cccc(S(N)(=O)=O)c1 ZINC000272131150 329754527 /nfs/dbraw/zinc/75/45/27/329754527.db2.gz SIZHSJJSTGJUMT-CQSZACIVSA-N 1 0 359.451 2.325 20 30 FEEDRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1cc(C#N)ccc1Cl ZINC000276176189 330126516 /nfs/dbraw/zinc/12/65/16/330126516.db2.gz LOYFBUNPEURHOX-ZIAGYGMSSA-N 1 0 360.845 2.235 20 30 FEEDRO N#Cc1ccc(C2=CC[N@H+](CCn3cc([N+](=O)[O-])ccc3=O)CC2)cc1 ZINC000367215774 330231377 /nfs/dbraw/zinc/23/13/77/330231377.db2.gz MUGNVLAMEJDGSX-UHFFFAOYSA-N 1 0 350.378 2.417 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)Nc2cc(Cl)cc(C(=O)OC)c2O)CC1 ZINC000804900688 674305694 /nfs/dbraw/zinc/30/56/94/674305694.db2.gz GMMNWWJEUKYZLY-UHFFFAOYSA-N 1 0 350.802 2.116 20 30 FEEDRO C=CCCCCCCNC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000806003569 674363181 /nfs/dbraw/zinc/36/31/81/674363181.db2.gz KTMJWJNRWYAZGZ-UHFFFAOYSA-N 1 0 350.507 2.073 20 30 FEEDRO CN(C(=O)c1ccc(NC(=O)c2ccc(C#N)[nH]2)cc1)[C@H]1CCC[N@H+](C)C1 ZINC000155511209 545535925 /nfs/dbraw/zinc/53/59/25/545535925.db2.gz QOYVRYGKOACKJJ-KRWDZBQOSA-N 1 0 365.437 2.305 20 30 FEEDRO C[NH+]=C(NCc1c(C)noc1C)NCc1ccc(-n2ccnc2)c(F)c1 ZINC000156625273 545640454 /nfs/dbraw/zinc/64/04/54/545640454.db2.gz SFEGNQVYJYYEEI-UHFFFAOYSA-N 1 0 356.405 2.481 20 30 FEEDRO N#Cc1cccc(S(=O)(=O)CCN2CCC[C@@H]2C[NH+]2CCCCC2)c1 ZINC000156717785 545651959 /nfs/dbraw/zinc/65/19/59/545651959.db2.gz OCZDISAHLBKYCN-GOSISDBHSA-N 1 0 361.511 2.282 20 30 FEEDRO C[NH+](C)CCOc1ccc(CNC(=O)CNc2cccc(C#N)c2)cc1 ZINC000157767513 545781254 /nfs/dbraw/zinc/78/12/54/545781254.db2.gz HUKIPOUBVKLQLP-UHFFFAOYSA-N 1 0 352.438 2.227 20 30 FEEDRO CC(C)Oc1ccc(NC(=O)NC2CCN(CC[NH+](C)C)CC2)cc1C#N ZINC000157862216 545794500 /nfs/dbraw/zinc/79/45/00/545794500.db2.gz ZYCBHKFWVONMGJ-UHFFFAOYSA-N 1 0 373.501 2.493 20 30 FEEDRO C[C@H]1CCCC[N@@H+]1CCCNS(=O)(=O)Cc1ccc(C#N)cc1F ZINC000478167239 561161255 /nfs/dbraw/zinc/16/12/55/561161255.db2.gz IILSRXITYVEFSX-AWEZNQCLSA-N 1 0 353.463 2.381 20 30 FEEDRO COc1ccc(CCNC(=[NH2+])NCc2cccnc2OCC(F)F)cc1 ZINC000160329461 546030808 /nfs/dbraw/zinc/03/08/08/546030808.db2.gz WSTUNQXUCUCERW-UHFFFAOYSA-N 1 0 364.396 2.381 20 30 FEEDRO Cc1sc(NC(=O)CN2CCN(c3cc[nH+]cc3)CC2)c(C#N)c1C ZINC000161308337 546119394 /nfs/dbraw/zinc/11/93/94/546119394.db2.gz PXTJSCFJFLSSTA-UHFFFAOYSA-N 1 0 355.467 2.392 20 30 FEEDRO CCOc1ccc(OCC)c(NC(=[NH2+])NCc2nnc3n2CCCC3)c1 ZINC000170907461 546181551 /nfs/dbraw/zinc/18/15/51/546181551.db2.gz PZQZCNDXNMKBGG-UHFFFAOYSA-N 1 0 358.446 2.339 20 30 FEEDRO COc1ccccc1CNC(=[NH2+])NCC[C@H](C)NC(=O)OC(C)(C)C ZINC000170914373 546182670 /nfs/dbraw/zinc/18/26/70/546182670.db2.gz MZJDLISXQUTOBH-ZDUSSCGKSA-N 1 0 350.463 2.403 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)NCCCc2nnc3n2CCCCC3)CC1 ZINC000171559128 546213850 /nfs/dbraw/zinc/21/38/50/546213850.db2.gz MNCKTRIEWNLPEB-UHFFFAOYSA-N 1 0 374.533 2.277 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)NC[C@H](C)N2CCc3sccc3C2)CC1 ZINC000171715828 546220724 /nfs/dbraw/zinc/22/07/24/546220724.db2.gz OCPFNCNCEXXBMI-HNNXBMFYSA-N 1 0 362.543 2.444 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)CCCOc2ccc(C#N)cc2OC)CC1 ZINC000171718400 546220858 /nfs/dbraw/zinc/22/08/58/546220858.db2.gz IFTLOZHUYHMGII-UHFFFAOYSA-N 1 0 357.454 2.492 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccc(C(=O)NC)c(Cl)c2)CC1 ZINC000171739058 546223115 /nfs/dbraw/zinc/22/31/15/546223115.db2.gz ITPRESBIBUVZRX-UHFFFAOYSA-N 1 0 350.850 2.472 20 30 FEEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000172292556 546244425 /nfs/dbraw/zinc/24/44/25/546244425.db2.gz CRQHLQCWYWQUOE-GJZGRUSLSA-N 1 0 374.510 2.429 20 30 FEEDRO C[NH+](C)C[C@H]1CCN(C(=O)C(=O)Nc2ccccc2SCCC#N)C1 ZINC000172291197 546244889 /nfs/dbraw/zinc/24/48/89/546244889.db2.gz ZWBWEJQPNSWRFZ-CQSZACIVSA-N 1 0 360.483 2.041 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)[C@@]2(C)CCCN2C(=O)c2ccccc2)CC1 ZINC000172291597 546245040 /nfs/dbraw/zinc/24/50/40/546245040.db2.gz BTAZYQKXDQHZJT-OAQYLSRUSA-N 1 0 355.482 2.448 20 30 FEEDRO COCC[NH+]1CCC(N[C@H](C)C(=O)N(CCC#N)c2ccccc2)CC1 ZINC000173644287 546284273 /nfs/dbraw/zinc/28/42/73/546284273.db2.gz MFVHCDSSALCVRQ-QGZVFWFLSA-N 1 0 358.486 2.022 20 30 FEEDRO C[C@@H](CNC(=O)N(Cc1ccc(C#N)cc1)C1CC1)C[NH+]1CCN(C)CC1 ZINC000175792948 546352048 /nfs/dbraw/zinc/35/20/48/546352048.db2.gz ADWGBVAYZGCVFU-KRWDZBQOSA-N 1 0 369.513 2.116 20 30 FEEDRO COc1cc(C#N)ccc1OCC(=O)NCC[N@H+](C)Cc1ccc(F)cc1 ZINC000177077934 546541179 /nfs/dbraw/zinc/54/11/79/546541179.db2.gz VFTVAYWNCLAALL-UHFFFAOYSA-N 1 0 371.412 2.333 20 30 FEEDRO CCN(CCC[NH+]1CCCC1)S(=O)(=O)Cc1ccc(C#N)cc1F ZINC000480711196 561214926 /nfs/dbraw/zinc/21/49/26/561214926.db2.gz PYTWWASLKWFDOP-UHFFFAOYSA-N 1 0 353.463 2.335 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cccc(-c3nc(C)co3)c2)CC1 ZINC000177326211 546595407 /nfs/dbraw/zinc/59/54/07/546595407.db2.gz ZBIBKPPKEQKHQD-UHFFFAOYSA-N 1 0 368.437 2.355 20 30 FEEDRO COc1cc(CNC(=O)c2cc(C#N)cs2)ccc1OCC[NH+](C)C ZINC000177452659 546621249 /nfs/dbraw/zinc/62/12/49/546621249.db2.gz QUQKNDHNSNGJIS-UHFFFAOYSA-N 1 0 359.451 2.499 20 30 FEEDRO C=CCOc1ccccc1CNC(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000177505811 546632936 /nfs/dbraw/zinc/63/29/36/546632936.db2.gz LYXUTNACCJPCAL-UHFFFAOYSA-N 1 0 359.470 2.258 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2CC[C@@H]([NH+]3CCCC3)C2)cc1C(F)(F)F ZINC000177655904 546660736 /nfs/dbraw/zinc/66/07/36/546660736.db2.gz TVUUCHMPRGFEJR-CYBMUJFWSA-N 1 0 373.400 2.436 20 30 FEEDRO CCNC(=O)COc1ccc(C[NH2+]Cc2cc(C#N)cs2)cc1OC ZINC000177686031 546668335 /nfs/dbraw/zinc/66/83/35/546668335.db2.gz XPXLWXKSQSLJHB-UHFFFAOYSA-N 1 0 359.451 2.433 20 30 FEEDRO CC[C@H](C)NC(=O)[C@@H](C)ON=C(N)c1cccc(Cn2nc(C)cc2C)c1 ZINC000178156355 546747708 /nfs/dbraw/zinc/74/77/08/546747708.db2.gz LUJQOCRCFZNTQZ-XJKSGUPXSA-N 1 0 371.485 2.488 20 30 FEEDRO CC[NH+](CC)[C@H](CNC(=O)Cn1cnc(C#N)n1)c1ccccc1Cl ZINC000178368751 546781406 /nfs/dbraw/zinc/78/14/06/546781406.db2.gz BPKRFYACMXCWME-OAHLLOKOSA-N 1 0 360.849 2.002 20 30 FEEDRO CCCN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000178930319 546876223 /nfs/dbraw/zinc/87/62/23/546876223.db2.gz CNEIZUVNJMAAIN-CYBMUJFWSA-N 1 0 372.288 2.083 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)NCCOc2ncccc2C(F)(F)F)CC1 ZINC000179083261 546897488 /nfs/dbraw/zinc/89/74/88/546897488.db2.gz OJEXWTHOQTXKPF-UHFFFAOYSA-N 1 0 372.391 2.429 20 30 FEEDRO C[C@@H](Oc1ccccc1C#N)C(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000482005651 561247272 /nfs/dbraw/zinc/24/72/72/561247272.db2.gz KXPJCADCGWNVDY-MRXNPFEDSA-N 1 0 359.470 2.285 20 30 FEEDRO CC(C)(C)OC(=O)N1CCN2C(NCc3ccc(Cl)cn3)=[NH+]C[C@H]2C1 ZINC000179561963 546977238 /nfs/dbraw/zinc/97/72/38/546977238.db2.gz YKIHDUZUMCUSBS-AWEZNQCLSA-N 1 0 365.865 2.116 20 30 FEEDRO C=CCOC[C@H](N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)C(=O)OC ZINC000482440149 561254006 /nfs/dbraw/zinc/25/40/06/561254006.db2.gz PYSAZGUZYINYDA-HAGHYFMRSA-N 1 0 358.482 2.231 20 30 FEEDRO C=CCNC(=O)CNC(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000180592311 547138040 /nfs/dbraw/zinc/13/80/40/547138040.db2.gz GJRBCSODALUFCN-UHFFFAOYSA-N 1 0 358.486 2.020 20 30 FEEDRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)C(=O)Nc1cccc(C#N)c1 ZINC000180902772 547206266 /nfs/dbraw/zinc/20/62/66/547206266.db2.gz DAGZSOQZYSBNAR-OAHLLOKOSA-N 1 0 350.422 2.133 20 30 FEEDRO C[C@H](CNC(=O)C(=O)Nc1ccccc1O[C@@H](C)C#N)[NH+]1CCC(C)CC1 ZINC000181751926 547373901 /nfs/dbraw/zinc/37/39/01/547373901.db2.gz NEABUQJVIHWYFQ-CVEARBPZSA-N 1 0 372.469 2.153 20 30 FEEDRO C=C(C)C[N@@H+](CC)CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000182670399 547530402 /nfs/dbraw/zinc/53/04/02/547530402.db2.gz WRHJBLIVKGHZLR-LJQANCHMSA-N 1 0 358.461 2.433 20 30 FEEDRO C=CC[C@@H](CO)NC(=O)NCc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000183010391 547587999 /nfs/dbraw/zinc/58/79/99/547587999.db2.gz NUQYFJRDRXPPKW-MDZRGWNJSA-N 1 0 361.486 2.032 20 30 FEEDRO CN(C)c1cc[nH+]cc1C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000183486538 547669687 /nfs/dbraw/zinc/66/96/87/547669687.db2.gz YMGSDLASHIRDCX-UHFFFAOYSA-N 1 0 363.465 2.367 20 30 FEEDRO C=CCN(CCOC)C(=O)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000484630307 561301641 /nfs/dbraw/zinc/30/16/41/561301641.db2.gz UKVWPIZVSSARRS-UHFFFAOYSA-N 1 0 373.497 2.315 20 30 FEEDRO N#Cc1ccc(N2CCC[C@@H]([N@@H+]3CCOCC4(CCOCC4)C3)C2=O)cc1 ZINC000184106024 547770457 /nfs/dbraw/zinc/77/04/57/547770457.db2.gz SXZNZCNSCMMITL-LJQANCHMSA-N 1 0 369.465 2.183 20 30 FEEDRO C[C@@H](C(F)(F)F)S(=O)(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000184210175 547788224 /nfs/dbraw/zinc/78/82/24/547788224.db2.gz MTDVYGWKDRDISS-LBPRGKRZSA-N 1 0 363.405 2.202 20 30 FEEDRO C=C(C)CS(=O)(=O)NCCCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000184375511 547815935 /nfs/dbraw/zinc/81/59/35/547815935.db2.gz FUMWDPHJGKMCQF-UHFFFAOYSA-N 1 0 365.543 2.393 20 30 FEEDRO CC(C)CCN(CCC#N)CC(=O)N1CCC(C(=O)N(C)C(C)C)CC1 ZINC000484912899 561308511 /nfs/dbraw/zinc/30/85/11/561308511.db2.gz RMQFSTXPXLSGOX-UHFFFAOYSA-N 1 0 364.534 2.354 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)Nc2ccccc2-c2nnnn2C(C)C)CC1 ZINC000184569282 547847746 /nfs/dbraw/zinc/84/77/46/547847746.db2.gz FRXMDLCEDSQJER-UHFFFAOYSA-N 1 0 352.442 2.205 20 30 FEEDRO COc1ccc([C@@H](CNC(=O)NCC2(CC#N)CC2)[NH+](C)C)cc1OC ZINC000485375940 561317669 /nfs/dbraw/zinc/31/76/69/561317669.db2.gz JGUCKJCFNKOQBM-OAHLLOKOSA-N 1 0 360.458 2.300 20 30 FEEDRO COc1ccccc1C(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000185638555 548013031 /nfs/dbraw/zinc/01/30/31/548013031.db2.gz BJKLZVVTBWGCIP-UHFFFAOYSA-N 1 0 365.433 2.340 20 30 FEEDRO COc1cc(C#N)ccc1S(=O)(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000185797477 548036328 /nfs/dbraw/zinc/03/63/28/548036328.db2.gz PPTPWQZJCOLYAL-INIZCTEOSA-N 1 0 363.483 2.110 20 30 FEEDRO C=CCc1cc(CNC(=O)c2cc([C@@H]3CC[NH2+]C3)n[nH]2)cc(OC)c1OC ZINC000485773899 561327651 /nfs/dbraw/zinc/32/76/51/561327651.db2.gz IOHMPJUKPPXERZ-OAHLLOKOSA-N 1 0 370.453 2.162 20 30 FEEDRO C=CC[C@H](CO)[NH2+][C@@H](C)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000186717839 548179621 /nfs/dbraw/zinc/17/96/21/548179621.db2.gz QEQMFPYCXKAJCO-GOEBONIOSA-N 1 0 364.467 2.346 20 30 FEEDRO CCOCCC[N@@H+]1CC[C@H](NCC(=O)Nc2sccc2C#N)[C@H](C)C1 ZINC000187019991 548242164 /nfs/dbraw/zinc/24/21/64/548242164.db2.gz HVWQNZXMCKZOBE-ZBFHGGJFSA-N 1 0 364.515 2.285 20 30 FEEDRO N#Cc1c(F)cccc1C(=O)Nc1cccc(CN2CCC[C@@H]2C(N)=O)c1 ZINC000187042521 548246474 /nfs/dbraw/zinc/24/64/74/548246474.db2.gz SFCJYMPRHNJODW-GOSISDBHSA-N 1 0 366.396 2.399 20 30 FEEDRO C=C(C)[C@@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(F)c(F)c1 ZINC000187755267 548262631 /nfs/dbraw/zinc/26/26/31/548262631.db2.gz UAECMWXPPBISIK-CZUORRHYSA-N 1 0 352.341 2.337 20 30 FEEDRO C=C(C)[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(F)c(F)c1 ZINC000187755248 548262746 /nfs/dbraw/zinc/26/27/46/548262746.db2.gz UAECMWXPPBISIK-CJNGLKHVSA-N 1 0 352.341 2.337 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1cn(-c2cccc(Cl)c2)nn1 ZINC000188803432 548288447 /nfs/dbraw/zinc/28/84/47/548288447.db2.gz JGHJELBWXFCYMI-UHFFFAOYSA-N 1 0 360.849 2.228 20 30 FEEDRO CCN(C[C@H](C)C#N)C(=O)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000189133692 548295661 /nfs/dbraw/zinc/29/56/61/548295661.db2.gz XGLYKDZNFOTHPS-MRXNPFEDSA-N 1 0 356.470 2.272 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1cccc(C(C)(F)F)c1 ZINC000189999440 548315033 /nfs/dbraw/zinc/31/50/33/548315033.db2.gz CJFCVASGOBCYNR-UHFFFAOYSA-N 1 0 366.412 2.431 20 30 FEEDRO CCS[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1 ZINC000190066203 548316630 /nfs/dbraw/zinc/31/66/30/548316630.db2.gz CGHZJYRNWSZNAE-OKZBNKHCSA-N 1 0 366.575 2.333 20 30 FEEDRO C=CCN(CCOC)CC(=O)NCc1c(C)nn(-c2ccccc2)c1C ZINC000191111663 548339772 /nfs/dbraw/zinc/33/97/72/548339772.db2.gz RPMPKSZFSSHXQE-UHFFFAOYSA-N 1 0 356.470 2.240 20 30 FEEDRO C#CCOc1ccc(C[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 ZINC000192243273 548361238 /nfs/dbraw/zinc/36/12/38/548361238.db2.gz XQZXLUAMAKEMHL-OAQYLSRUSA-N 1 0 359.429 2.461 20 30 FEEDRO CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)C1 ZINC000193748327 548395336 /nfs/dbraw/zinc/39/53/36/548395336.db2.gz NEBADZFKOCVHBK-OAHLLOKOSA-N 1 0 356.470 2.274 20 30 FEEDRO CCOC(=O)N1CCC(NC(=[NH2+])NC[C@H](OCC)c2ccccc2)CC1 ZINC000194581584 548501185 /nfs/dbraw/zinc/50/11/85/548501185.db2.gz PKNKRFPYVFDVPJ-KRWDZBQOSA-N 1 0 362.474 2.289 20 30 FEEDRO C[S@@](=O)c1ccc(C[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 ZINC000486905881 561359380 /nfs/dbraw/zinc/35/93/80/561359380.db2.gz RTDJCZFSHZJNID-NIYFSFCBSA-N 1 0 367.474 2.186 20 30 FEEDRO C=CCN1C(=S)N=NC1c1sc(NC(=O)C2CC[NH2+]CC2)nc1C ZINC000237666054 548843927 /nfs/dbraw/zinc/84/39/27/548843927.db2.gz YIXRIFRMVBXMKV-UHFFFAOYSA-N 1 0 364.500 2.123 20 30 FEEDRO CCC[N@H+](CC)CCNC(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 ZINC000245423740 548914964 /nfs/dbraw/zinc/91/49/64/548914964.db2.gz BQEVLFWJXKKUNB-IBGZPJMESA-N 1 0 357.502 2.138 20 30 FEEDRO COCCN(CCS(=O)(=O)c1ccc(C#N)cc1)[C@@H]1CCC[C@@H]1C ZINC000487978304 561380461 /nfs/dbraw/zinc/38/04/61/561380461.db2.gz XNTHMPLDDOTTNX-MAUKXSAKSA-N 1 0 350.484 2.469 20 30 FEEDRO COCC[N@H+]1[C@H](C)CN([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@@H]1C ZINC000245521560 548938209 /nfs/dbraw/zinc/93/82/09/548938209.db2.gz KVGAVWGWEKJYCG-QKLQHJQFSA-N 1 0 370.497 2.095 20 30 FEEDRO Cc1ccc(-n2cnc3c2CC[N@@H+](CCC(=O)N(C)CCC#N)C3)cc1 ZINC000488002134 561380971 /nfs/dbraw/zinc/38/09/71/561380971.db2.gz WYECFIRQWFXZNI-UHFFFAOYSA-N 1 0 351.454 2.301 20 30 FEEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 ZINC000246378568 549119012 /nfs/dbraw/zinc/11/90/12/549119012.db2.gz JVHOGWZKQKQFCC-BZSNNMDCSA-N 1 0 359.518 2.472 20 30 FEEDRO C[C@H](NC(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1)C(C)(C)C[NH+](C)C ZINC000246383743 549120496 /nfs/dbraw/zinc/12/04/96/549120496.db2.gz RTULLBICYSAREP-HKUYNNGSSA-N 1 0 371.529 2.382 20 30 FEEDRO C=CCSCCNC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000246477525 549141682 /nfs/dbraw/zinc/14/16/82/549141682.db2.gz ATRALNLPMVOZNF-ZWKOTPCHSA-N 1 0 363.527 2.088 20 30 FEEDRO C=CCOc1cccc(NC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000246934940 549246185 /nfs/dbraw/zinc/24/61/85/549246185.db2.gz GRNBZAQDQCBWMP-CRAIPNDOSA-N 1 0 357.454 2.133 20 30 FEEDRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1CC(=O)N[C@](C)(C#N)C1CC1 ZINC000247142210 549290819 /nfs/dbraw/zinc/29/08/19/549290819.db2.gz YAFYDFMNDPVIQI-LAUBAEHRSA-N 1 0 354.498 2.391 20 30 FEEDRO CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)Nc2cc(C#N)ccc2C)CC1=O ZINC000247190887 549297186 /nfs/dbraw/zinc/29/71/86/549297186.db2.gz ODZQYNWAKVILQX-IRXDYDNUSA-N 1 0 354.454 2.138 20 30 FEEDRO C[NH+](C)[C@H](CNS(=O)(=O)c1ccc(C#N)c(F)c1)C1CCCCC1 ZINC000489118194 561403861 /nfs/dbraw/zinc/40/38/61/561403861.db2.gz SHVMPDNUXIVCGE-QGZVFWFLSA-N 1 0 353.463 2.486 20 30 FEEDRO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@](O)(C3CC3)C2)cc1 ZINC000489162349 561404788 /nfs/dbraw/zinc/40/47/88/561404788.db2.gz RSKALOFVVWACNU-HXUWFJFHSA-N 1 0 357.454 2.179 20 30 FEEDRO Cc1ncc(S(=O)(=O)N(C)CC[N@H+](C)C2CCCCC2)cc1C#N ZINC000489254212 561406591 /nfs/dbraw/zinc/40/65/91/561406591.db2.gz MZTSTXVGDQIVQF-UHFFFAOYSA-N 1 0 350.488 2.147 20 30 FEEDRO Cc1cc(F)ccc1[C@H]1C(=O)NCCN1C[C@@H](O)c1ccc(C#N)cc1 ZINC000248636038 549473036 /nfs/dbraw/zinc/47/30/36/549473036.db2.gz UNCNFDIAVYWZTM-MOPGFXCFSA-N 1 0 353.397 2.212 20 30 FEEDRO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000248876322 549520051 /nfs/dbraw/zinc/52/00/51/549520051.db2.gz VZFPIJTTXDCSEJ-UXLLHSPISA-N 1 0 352.394 2.382 20 30 FEEDRO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000249112890 549554167 /nfs/dbraw/zinc/55/41/67/549554167.db2.gz AWTGBWBJXOOBJC-YOEHRIQHSA-N 1 0 354.454 2.121 20 30 FEEDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)Nc2cc(C#N)ccc2Cl)C1 ZINC000249222409 549571111 /nfs/dbraw/zinc/57/11/11/549571111.db2.gz UOPQFWWFFUFWAW-XJKSGUPXSA-N 1 0 360.845 2.093 20 30 FEEDRO C[C@@H]1CN(c2nccnc2C#N)CCN1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255886400 549708851 /nfs/dbraw/zinc/70/88/51/549708851.db2.gz LQGFBSXXMNNNON-ZDTYVGOBSA-N 1 0 364.409 2.480 20 30 FEEDRO C[NH+]=C(NCCc1c[nH]c2ccccc12)N1CCO[C@@H](c2cnn(C)c2)C1 ZINC000261772381 549753455 /nfs/dbraw/zinc/75/34/55/549753455.db2.gz OGGUIKCCUBFMIO-LJQANCHMSA-N 1 0 366.469 2.093 20 30 FEEDRO C[NH+]=C(NCCc1cc(Cl)c2c(c1)OCCO2)N(C)Cc1ccon1 ZINC000261815317 549758751 /nfs/dbraw/zinc/75/87/51/549758751.db2.gz TUSOZFAVOKWORD-UHFFFAOYSA-N 1 0 364.833 2.349 20 30 FEEDRO C[NH+]=C(NCc1nc(C(C)(C)C)cs1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261952867 549773689 /nfs/dbraw/zinc/77/36/89/549773689.db2.gz HXLNKVTVDGEOSE-UHFFFAOYSA-N 1 0 372.560 2.025 20 30 FEEDRO CC[NH+]=C(NCc1c(C)nn(C)c1C)N1CC[C@@H](Oc2ccccn2)C1 ZINC000261978274 549776652 /nfs/dbraw/zinc/77/66/52/549776652.db2.gz OFHBEKAMIQDIAX-MRXNPFEDSA-N 1 0 356.474 2.051 20 30 FEEDRO CC[C@H](C)[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N1CCc2ccccc2C1 ZINC000262365067 549814028 /nfs/dbraw/zinc/81/40/28/549814028.db2.gz HNLVRAGMKFGMDP-HOTGVXAUSA-N 1 0 363.527 2.224 20 30 FEEDRO CC[C@H](C)[NH+]=C(NC[C@H]1CCS(=O)(=O)C1)N1CCc2ccccc2C1 ZINC000262365073 549814230 /nfs/dbraw/zinc/81/42/30/549814230.db2.gz HNLVRAGMKFGMDP-JKSUJKDBSA-N 1 0 363.527 2.224 20 30 FEEDRO C[NH+]=C(NC[C@H](c1cccs1)N(C)C)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000262437128 549819583 /nfs/dbraw/zinc/81/95/83/549819583.db2.gz GOZVRCWPNNFGBD-GDBMZVCRSA-N 1 0 360.531 2.149 20 30 FEEDRO C[NH+]=C(NCc1cc(Cl)ccc1OC(F)F)N[C@@H]1CCC(=O)N(C)C1 ZINC000262793194 549850489 /nfs/dbraw/zinc/85/04/89/549850489.db2.gz OTNMWLDJTIESMY-GFCCVEGCSA-N 1 0 374.819 2.227 20 30 FEEDRO C[NH+]=C(NCc1cc(Cl)ccc1OC(F)F)N[C@H]1CCC(=O)N(C)C1 ZINC000262793195 549850499 /nfs/dbraw/zinc/85/04/99/549850499.db2.gz OTNMWLDJTIESMY-LBPRGKRZSA-N 1 0 374.819 2.227 20 30 FEEDRO C[NH+]=C(NCc1csc(-c2ccccc2)n1)N1CCN(C(C)=O)CC1 ZINC000263253849 549889489 /nfs/dbraw/zinc/88/94/89/549889489.db2.gz PVSTWEHIXCGFRZ-UHFFFAOYSA-N 1 0 357.483 2.050 20 30 FEEDRO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCCC[C@@H]1[C@@H]1CNC(=O)C1 ZINC000490626973 561436235 /nfs/dbraw/zinc/43/62/35/561436235.db2.gz AFVJXKSTRNXNTD-IPMKNSEASA-N 1 0 358.482 2.145 20 30 FEEDRO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCCC[C@H]1[C@@H]1CNC(=O)C1 ZINC000490626975 561436266 /nfs/dbraw/zinc/43/62/66/561436266.db2.gz AFVJXKSTRNXNTD-OTWHNJEPSA-N 1 0 358.482 2.145 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)NCCC(=O)Nc2cccc(Cl)c2C)CC1 ZINC000263814213 549941076 /nfs/dbraw/zinc/94/10/76/549941076.db2.gz OVIHGYNNCNDDLG-UHFFFAOYSA-N 1 0 361.873 2.438 20 30 FEEDRO COCCOc1ccccc1CNC(=[NH2+])NCc1ccc(OC)c(OC)c1 ZINC000264074621 549975465 /nfs/dbraw/zinc/97/54/65/549975465.db2.gz FGVWTCAMPINVRS-UHFFFAOYSA-N 1 0 373.453 2.334 20 30 FEEDRO COc1ccc(CNC(=[NH2+])NCc2ccc(OCC3CC3)nc2)cc1OC ZINC000264111828 549980001 /nfs/dbraw/zinc/98/00/01/549980001.db2.gz RDXNTZKBBJSSNR-UHFFFAOYSA-N 1 0 370.453 2.492 20 30 FEEDRO COc1ccc(CNC(=[NH2+])NCCNc2ccccc2[N+](=O)[O-])cc1OC ZINC000264144654 549984428 /nfs/dbraw/zinc/98/44/28/549984428.db2.gz XLRIQRKMHYWMHP-UHFFFAOYSA-N 1 0 373.413 2.128 20 30 FEEDRO CC[NH+](CC)CCN(CCOC)C(=O)/C=C/c1ccc(OCC#N)cc1 ZINC000264219512 549992914 /nfs/dbraw/zinc/99/29/14/549992914.db2.gz VQSHSDKDZHRPDC-DHZHZOJOSA-N 1 0 359.470 2.419 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)Nc2cccc([C@H](C)N3CCOCC3)c2)CC1 ZINC000264285777 549993950 /nfs/dbraw/zinc/99/39/50/549993950.db2.gz VFAMPUXUDUNPDO-KRWDZBQOSA-N 1 0 355.482 2.364 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2cccc(C(=O)NC3CC3)c2)CC1 ZINC000264411744 549996116 /nfs/dbraw/zinc/99/61/16/549996116.db2.gz RCBDLYGCNAGQKB-UHFFFAOYSA-N 1 0 370.497 2.419 20 30 FEEDRO COCCN1CC[C@H]([NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000264965570 550004361 /nfs/dbraw/zinc/00/43/61/550004361.db2.gz PIUVSDDUBXFIDM-IBGZPJMESA-N 1 0 353.470 2.274 20 30 FEEDRO C#CCOc1cc(F)ccc1NC(=O)N1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000266400843 550020025 /nfs/dbraw/zinc/02/00/25/550020025.db2.gz MBWRKJQCCULUPU-KRWDZBQOSA-N 1 0 374.460 2.081 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CC[C@@H](COCCOC)C1)C(C)C ZINC000266650831 550022481 /nfs/dbraw/zinc/02/24/81/550022481.db2.gz HAPNEMDCFZCNOT-MOPGFXCFSA-N 1 0 367.534 2.380 20 30 FEEDRO C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CC[NH+](C2CCOCC2)CC1 ZINC000267002614 550026554 /nfs/dbraw/zinc/02/65/54/550026554.db2.gz IADKLJGOOHXIIZ-GOSISDBHSA-N 1 0 370.497 2.118 20 30 FEEDRO CCCOc1ccc(CNC(=[NH2+])NCc2ccc(OC)c(OC)c2)cn1 ZINC000267393919 550030542 /nfs/dbraw/zinc/03/05/42/550030542.db2.gz DRDBMTRJPRUIJB-UHFFFAOYSA-N 1 0 358.442 2.492 20 30 FEEDRO CCN(CC)C(=[NH2+])NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N ZINC000267401030 550031049 /nfs/dbraw/zinc/03/10/49/550031049.db2.gz FWCWVDYJZMADDL-UHFFFAOYSA-N 1 0 357.437 2.054 20 30 FEEDRO COc1ccc(NC(=[NH2+])NCC[S@](=O)Cc2ccccc2)cc1OC ZINC000267429208 550031875 /nfs/dbraw/zinc/03/18/75/550031875.db2.gz MFFSDFSZZRMXCO-VWLOTQADSA-N 1 0 361.467 2.379 20 30 FEEDRO CCOC(=O)N1CCC(NC(=[NH2+])NC[C@@H](c2cccnc2)C(C)C)CC1 ZINC000267542600 550032851 /nfs/dbraw/zinc/03/28/51/550032851.db2.gz CFLKCKFYRCSNCQ-QGZVFWFLSA-N 1 0 361.490 2.346 20 30 FEEDRO C=C(C)COc1cccc(NC(=O)C(=O)N[C@H]2C[N@H+](C3CC3)C[C@@H]2C)c1 ZINC000268169839 550037414 /nfs/dbraw/zinc/03/74/14/550037414.db2.gz LOEXZXPGTARJAX-KSSFIOAISA-N 1 0 357.454 2.179 20 30 FEEDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2cc(C#N)ccc2Cl)C1 ZINC000268718903 550108003 /nfs/dbraw/zinc/10/80/03/550108003.db2.gz VWGDEKUBRDEJLI-CQSZACIVSA-N 1 0 362.861 2.244 20 30 FEEDRO COc1ccc(C#N)cc1NC(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000269100054 550154970 /nfs/dbraw/zinc/15/49/70/550154970.db2.gz FUFNXXLTFHZQCM-QZTJIDSGSA-N 1 0 372.469 2.456 20 30 FEEDRO C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)Nc3ccc(C#N)cc3Cl)CC[C@H]21 ZINC000269121039 550157749 /nfs/dbraw/zinc/15/77/49/550157749.db2.gz SGBHYZVDKGIEHO-XJKSGUPXSA-N 1 0 360.845 2.093 20 30 FEEDRO C[C@@H]1C[NH+](CCCNC(=O)NC2(c3cccc(C#N)c3)CC2)C[C@@H](C)O1 ZINC000269664722 550215120 /nfs/dbraw/zinc/21/51/20/550215120.db2.gz KNSPTAGQMGZEFK-HZPDHXFCSA-N 1 0 356.470 2.346 20 30 FEEDRO C=CCOc1ccc(C(=O)N2C[C@@H]([NH+](C)C)[C@@H](SC)C2)cc1OC ZINC000270551704 550283075 /nfs/dbraw/zinc/28/30/75/550283075.db2.gz ZNNUYMAGEYOJFA-PBHICJAKSA-N 1 0 350.484 2.378 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)NC[C@H](CO)c2ccccc2Cl)CC1 ZINC000494120495 561462858 /nfs/dbraw/zinc/46/28/58/561462858.db2.gz RJPCWENGQAAXRZ-CQSZACIVSA-N 1 0 351.878 2.366 20 30 FEEDRO C#CCCCCC(=O)N1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000271346251 550366966 /nfs/dbraw/zinc/36/69/66/550366966.db2.gz DLXQAEMLNVAZGI-UHFFFAOYSA-N 1 0 357.498 2.469 20 30 FEEDRO COCc1cc([C@H](C)[NH2+]CCNC(=O)C2N=CC=CC2=O)ccc1OC ZINC000271445016 550376047 /nfs/dbraw/zinc/37/60/47/550376047.db2.gz HCPGSMBBCYERQJ-UNQMGURYSA-N 1 0 359.426 2.019 20 30 FEEDRO COc1cc(C)c([C@H](C)[NH2+]CCNC(=O)C2N=CC=CC2=O)cc1OC ZINC000271514004 550381480 /nfs/dbraw/zinc/38/14/80/550381480.db2.gz SZAJINRXVJDEFS-UNQMGURYSA-N 1 0 359.426 2.189 20 30 FEEDRO CS(=O)(=O)CCOCC[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000271560790 550385594 /nfs/dbraw/zinc/38/55/94/550385594.db2.gz XRLLAYJAGQHJRI-UHFFFAOYSA-N 1 0 350.484 2.041 20 30 FEEDRO C#CC[C@H]([NH2+]CCC(=O)N1CCN(c2ccccn2)CC1)c1ccccc1 ZINC000271658828 550393074 /nfs/dbraw/zinc/39/30/74/550393074.db2.gz CZJFRXLTQZQIGT-FQEVSTJZSA-N 1 0 362.477 2.475 20 30 FEEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH2+][C@@]1(C)CCO[C@H]1C ZINC000494256359 561465770 /nfs/dbraw/zinc/46/57/70/561465770.db2.gz IPQUWONZBGINPJ-KXBFYZLASA-N 1 0 362.474 2.109 20 30 FEEDRO [NH2+]=C(NC[C@@H]1CC(=O)N(C2CC2)C1)Nc1ccc(OC(F)(F)F)cc1 ZINC000272373764 550442156 /nfs/dbraw/zinc/44/21/56/550442156.db2.gz HSNYSQASTMTZNG-JTQLQIEISA-N 1 0 356.348 2.323 20 30 FEEDRO C[N@@H+]1CC[C@H]2CCN(C(=O)CCC(=O)N(CCC#N)c3ccccc3)[C@@H]2C1 ZINC000272455899 550449862 /nfs/dbraw/zinc/44/98/62/550449862.db2.gz JYMAXLAEAXAMSJ-PKOBYXMFSA-N 1 0 368.481 2.266 20 30 FEEDRO O=C(NCC#Cc1ccccc1)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000272747773 550468659 /nfs/dbraw/zinc/46/86/59/550468659.db2.gz ICCVKWDICVAABT-OAQYLSRUSA-N 1 0 363.461 2.104 20 30 FEEDRO CC[NH+](CC)CCOc1ccc(CNS(=O)(=O)CC2(C#N)CC2)cc1 ZINC000272802368 550471346 /nfs/dbraw/zinc/47/13/46/550471346.db2.gz AZOAAITUVPUMFB-UHFFFAOYSA-N 1 0 365.499 2.130 20 30 FEEDRO C[C@H]([NH2+]CC(=O)NCc1ccc(C#N)cc1)c1ccc([S@](C)=O)cc1 ZINC000272978877 550479369 /nfs/dbraw/zinc/47/93/69/550479369.db2.gz QAPXELPYQOQANW-SXBQZSJRSA-N 1 0 355.463 2.263 20 30 FEEDRO N#Cc1c[nH]c(-c2nc(-c3ccccc3C[N@H+]3CCC[C@H]3C(N)=O)no2)c1 ZINC000273865614 550514204 /nfs/dbraw/zinc/51/42/04/550514204.db2.gz MLYKHDVQTJAHGW-INIZCTEOSA-N 1 0 362.393 2.053 20 30 FEEDRO C=CCC[C@@H](O)C[N@@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000274783683 550554200 /nfs/dbraw/zinc/55/42/00/550554200.db2.gz AJZUXPLAXHUVLN-OAHLLOKOSA-N 1 0 359.430 2.310 20 30 FEEDRO CN1CCN(c2cc(N[C@H](CCC#N)c3ccccc3)ncn2)CC1=O ZINC000274887346 550562563 /nfs/dbraw/zinc/56/25/63/550562563.db2.gz ISIPVBDVSPOVMU-MRXNPFEDSA-N 1 0 350.426 2.212 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CC[C@@H](OCCOC)C1)C(C)C ZINC000275526292 550572696 /nfs/dbraw/zinc/57/26/96/550572696.db2.gz BEIGCDLPNBXAKL-MSOLQXFVSA-N 1 0 353.507 2.132 20 30 FEEDRO C[NH+](C)[C@@]1(CNC(=O)Nc2ncccc2OCCCC#N)CCSC1 ZINC000276082704 550576410 /nfs/dbraw/zinc/57/64/10/550576410.db2.gz OIRKBLWZQXWHGG-QGZVFWFLSA-N 1 0 363.487 2.323 20 30 FEEDRO COC[C@H](C)NC(=[NH2+])NCc1cccc(-c2nc(C(=O)OC)cs2)c1 ZINC000276560889 550579164 /nfs/dbraw/zinc/57/91/64/550579164.db2.gz BLKZMCSCZSMHBY-NSHDSACASA-N 1 0 362.455 2.036 20 30 FEEDRO C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000276725487 550589380 /nfs/dbraw/zinc/58/93/80/550589380.db2.gz CJLNYYAEVDXENJ-OAHLLOKOSA-N 1 0 372.469 2.154 20 30 FEEDRO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@H](Cc1nc(C)no1)c1ccccc1 ZINC000277152401 550637462 /nfs/dbraw/zinc/63/74/62/550637462.db2.gz JQVPEIOPFRDSJJ-RHSMWYFYSA-N 1 0 355.442 2.260 20 30 FEEDRO CC1(C)CCCN(C(=O)CC[NH+]2CCN(c3ccccn3)CC2)[C@H]1C#N ZINC000277650093 550696407 /nfs/dbraw/zinc/69/64/07/550696407.db2.gz YWAYDQAVXIFNKL-KRWDZBQOSA-N 1 0 355.486 2.134 20 30 FEEDRO CC[C@@H]([NH2+]CCS(=O)(=O)NC[C@H]1CCCCO1)c1ccc(C#N)cc1 ZINC000278395798 550780758 /nfs/dbraw/zinc/78/07/58/550780758.db2.gz FDAQXAXCXYJCLT-QZTJIDSGSA-N 1 0 365.499 2.087 20 30 FEEDRO C[NH+](C)C[C@@H]1CCCN1S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000278749242 550817973 /nfs/dbraw/zinc/81/79/73/550817973.db2.gz KAZRWUUHOATIGS-LBPRGKRZSA-N 1 0 372.288 2.035 20 30 FEEDRO N#Cc1cc(C(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)ccc1F ZINC000278801756 550823416 /nfs/dbraw/zinc/82/34/16/550823416.db2.gz PTTLBLYJIAMPHB-GOSISDBHSA-N 1 0 353.397 2.194 20 30 FEEDRO C#CCC(CC#C)C(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000278908950 550834892 /nfs/dbraw/zinc/83/48/92/550834892.db2.gz QNXJBQHBDNJINT-UHFFFAOYSA-N 1 0 351.494 2.368 20 30 FEEDRO CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000279208419 550865189 /nfs/dbraw/zinc/86/51/89/550865189.db2.gz LXGSUEJQCGSCHB-INIZCTEOSA-N 1 0 371.485 2.140 20 30 FEEDRO COCCC[N@H+](CCOC)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000279411038 550887323 /nfs/dbraw/zinc/88/73/23/550887323.db2.gz NTFPHPRCKYDHMR-UHFFFAOYSA-N 1 0 357.458 2.344 20 30 FEEDRO C[C@H]1CN([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC2(CCOCC2)O1 ZINC000279695159 550917759 /nfs/dbraw/zinc/91/77/59/550917759.db2.gz GKUKUDWACFYTGD-QFBILLFUSA-N 1 0 369.465 2.324 20 30 FEEDRO Cc1sc(NC(=O)C[N@@H+](C)C2(CCO)CCOCC2)c(C#N)c1C ZINC000495454299 561488270 /nfs/dbraw/zinc/48/82/70/561488270.db2.gz IMKHWYWSYBZRAI-UHFFFAOYSA-N 1 0 351.472 2.039 20 30 FEEDRO C[C@@H]1C[NH+](CCCCNC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)C[C@@H](C)O1 ZINC000280172603 550967888 /nfs/dbraw/zinc/96/78/88/550967888.db2.gz CKMBFCOWZHLBRQ-MBOZVWFJSA-N 1 0 368.481 2.246 20 30 FEEDRO Cc1cc(C)cc(N(CCC#N)C(=O)CN2CCO[C@@]3(CCO[C@@H]3C)C2)c1 ZINC000280532282 551004735 /nfs/dbraw/zinc/00/47/35/551004735.db2.gz SLZBSQPLFITYJZ-NQIIRXRSSA-N 1 0 371.481 2.430 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12)C(C)C ZINC000496013454 561491730 /nfs/dbraw/zinc/49/17/30/561491730.db2.gz ITCWIKUZNUOXFE-JTDSTZFVSA-N 1 0 365.543 2.255 20 30 FEEDRO C[NH+]1CCN(c2ccc(NC(=O)[C@H](C#N)Cc3ccc(C#N)cc3)nc2)CC1 ZINC000280801494 551033464 /nfs/dbraw/zinc/03/34/64/551033464.db2.gz LULQQAULVLFHGR-SFHVURJKSA-N 1 0 374.448 2.026 20 30 FEEDRO N#Cc1ccc([C@H](O)C[N@H+]2C[C@@H]3[C@H](C2)OCCN3Cc2ccccc2)cc1 ZINC000280902305 551044198 /nfs/dbraw/zinc/04/41/98/551044198.db2.gz RGPGMQOHANGREF-VSKRKVRLSA-N 1 0 363.461 2.177 20 30 FEEDRO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000281212799 551074397 /nfs/dbraw/zinc/07/43/97/551074397.db2.gz DHPSDFTVNKAPHV-WOJBJXKFSA-N 1 0 357.498 2.145 20 30 FEEDRO C=CCN1CC[C@H]([N@H+](C)C[C@@H](O)COc2cc(C)ccc2Cl)C1=O ZINC000281310680 551083453 /nfs/dbraw/zinc/08/34/53/551083453.db2.gz KPCPNNOWFCROHD-ZBFHGGJFSA-N 1 0 352.862 2.107 20 30 FEEDRO C=CCN1CC[C@@H]([N@@H+](C)Cc2ccc(OCc3nccn3C)cc2)C1=O ZINC000281328894 551085156 /nfs/dbraw/zinc/08/51/56/551085156.db2.gz RWHGAGWKPOWXAR-GOSISDBHSA-N 1 0 354.454 2.218 20 30 FEEDRO CC[C@H]1CN(CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CCCO1 ZINC000281433125 551096683 /nfs/dbraw/zinc/09/66/83/551096683.db2.gz PLNLWZUJFGUGST-KRWDZBQOSA-N 1 0 353.426 2.183 20 30 FEEDRO COc1cc(C[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)ccc1C#N ZINC000281589543 551117285 /nfs/dbraw/zinc/11/72/85/551117285.db2.gz DXFNERKZCLBFTP-LJQANCHMSA-N 1 0 360.417 2.329 20 30 FEEDRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]CCCC2(C#N)CCOCC2)cc1 ZINC000282115043 551182878 /nfs/dbraw/zinc/18/28/78/551182878.db2.gz XGFPTPQNNOJMOX-OAHLLOKOSA-N 1 0 365.499 2.346 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N2CCC(N3CCc4ccccc43)CC2)CC1 ZINC000282287729 551207029 /nfs/dbraw/zinc/20/70/29/551207029.db2.gz LDSLZVVXJCIJOQ-UHFFFAOYSA-N 1 0 351.494 2.385 20 30 FEEDRO N#CCCN(CCC#N)C(=O)C[NH2+][C@@]1(Cc2ccc(Cl)cc2)CCOC1 ZINC000282489975 551236213 /nfs/dbraw/zinc/23/62/13/551236213.db2.gz HQPXDNAEIFKOOS-LJQANCHMSA-N 1 0 374.872 2.287 20 30 FEEDRO C[C@@H](CC#N)N(C)S(=O)(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000282551242 551245627 /nfs/dbraw/zinc/24/56/27/551245627.db2.gz CNMVKNNESJSMKN-WFASDCNBSA-N 1 0 358.895 2.011 20 30 FEEDRO C#Cc1cc(F)c(NC(=O)C(=O)NC[C@H](C(C)C)[NH+]2CCCC2)c(F)c1 ZINC000282795497 551271296 /nfs/dbraw/zinc/27/12/96/551271296.db2.gz GOFYTCPYGKDDNQ-MRXNPFEDSA-N 1 0 363.408 2.121 20 30 FEEDRO COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)C)CC1 ZINC000282842819 551276580 /nfs/dbraw/zinc/27/65/80/551276580.db2.gz CSJORSCKECXPQK-UHFFFAOYSA-N 1 0 368.485 2.241 20 30 FEEDRO COC(=O)[C@]1(C)C[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2)C[C@H]1C ZINC000282959826 551289936 /nfs/dbraw/zinc/28/99/36/551289936.db2.gz ZRCQMIIJUPGZHT-GQIGUUNPSA-N 1 0 357.454 2.453 20 30 FEEDRO C[C@H](CC#N)N(C)S(=O)(=O)N1CCC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000282985305 551293629 /nfs/dbraw/zinc/29/36/29/551293629.db2.gz MJQWZJUPWZSBSP-IAGOWNOFSA-N 1 0 364.515 2.062 20 30 FEEDRO CN(CCC#N)C(=O)CC[NH+]1CCN(c2cncc3ccccc32)CC1 ZINC000283261944 551337842 /nfs/dbraw/zinc/33/78/42/551337842.db2.gz VGMFWQMIPMPSBT-UHFFFAOYSA-N 1 0 351.454 2.119 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCc2ccc(F)c(Cl)c2)CC1 ZINC000283635222 551400750 /nfs/dbraw/zinc/40/07/50/551400750.db2.gz WZCYGFCZXGAZHZ-UHFFFAOYSA-N 1 0 367.852 2.252 20 30 FEEDRO CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[NH+](CCOC(C)C)CC1 ZINC000283666964 551406043 /nfs/dbraw/zinc/40/60/43/551406043.db2.gz FSYOZLBNZRRUJB-UHFFFAOYSA-N 1 0 368.485 2.384 20 30 FEEDRO CC[NH+](CC)[C@H](CNC(=O)C(=O)NCCCCC#N)c1ccsc1 ZINC000283916860 551449467 /nfs/dbraw/zinc/44/94/67/551449467.db2.gz DQXZBRJKRLIBJZ-OAHLLOKOSA-N 1 0 350.488 2.057 20 30 FEEDRO C[C@H](NC(=O)C(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1)c1ccc(C#N)cc1 ZINC000283974831 551460361 /nfs/dbraw/zinc/46/03/61/551460361.db2.gz LRVXGGWHSDZICE-SJORKVTESA-N 1 0 370.497 2.364 20 30 FEEDRO CCN(CCC[NH+]1CCCC1)C(=O)C(=O)N[C@@H](C)c1ccc(C#N)cc1 ZINC000284164454 551495998 /nfs/dbraw/zinc/49/59/98/551495998.db2.gz YICFZXLHVVGIOD-INIZCTEOSA-N 1 0 356.470 2.070 20 30 FEEDRO CCN(CCC[NH+]1CCCC1)C(=O)C(=O)N[C@H](C)c1ccc(C#N)cc1 ZINC000284164461 551496067 /nfs/dbraw/zinc/49/60/67/551496067.db2.gz YICFZXLHVVGIOD-MRXNPFEDSA-N 1 0 356.470 2.070 20 30 FEEDRO C=CCCCCNC(=O)C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000284481873 551558632 /nfs/dbraw/zinc/55/86/32/551558632.db2.gz OVVVIGSOXXDSBK-UHFFFAOYSA-N 1 0 357.498 2.282 20 30 FEEDRO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@@H](C)c1ccc(S(=O)(=O)CC)cc1 ZINC000284649554 551598786 /nfs/dbraw/zinc/59/87/86/551598786.db2.gz FCECCTACPFQHBL-GJZGRUSLSA-N 1 0 365.499 2.139 20 30 FEEDRO C#C[C@@H](NC(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1c1cnn(C)c1)C(C)C ZINC000284771237 551629288 /nfs/dbraw/zinc/62/92/88/551629288.db2.gz AAVBWJHRJHCPIK-QHAWAJNXSA-N 1 0 364.493 2.410 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H](C)Cc2ccccc2C)CC1 ZINC000284862108 551652881 /nfs/dbraw/zinc/65/28/81/551652881.db2.gz DERAEZNKTFCMGR-QGZVFWFLSA-N 1 0 357.498 2.199 20 30 FEEDRO COc1ccc(NC(=[NH2+])NCCn2cc(Br)cn2)cc1OC ZINC000285083193 551701983 /nfs/dbraw/zinc/70/19/83/551701983.db2.gz NMEVHWGKERYAHG-UHFFFAOYSA-N 1 0 368.235 2.090 20 30 FEEDRO CCc1ccc([C@H](O)CNC(=[NH2+])NCc2ccc(OC)c(OC)c2)cc1 ZINC000285096998 551703829 /nfs/dbraw/zinc/70/38/29/551703829.db2.gz OHJRTFJUQUPIMK-QGZVFWFLSA-N 1 0 357.454 2.404 20 30 FEEDRO C=CCc1ccc(OC[C@@H](O)C[NH2+][C@H](c2nncn2C)C(C)C)c(OC)c1 ZINC000285305498 551735311 /nfs/dbraw/zinc/73/53/11/551735311.db2.gz HRAGZPVCTSMUPA-LPHOPBHVSA-N 1 0 374.485 2.279 20 30 FEEDRO CC1=CC[N@H+](CCNC(=O)C(=O)N(Cc2ccc(C#N)cc2)C(C)C)CC1 ZINC000498833466 561535323 /nfs/dbraw/zinc/53/53/23/561535323.db2.gz XLCOCMZVJVUORG-UHFFFAOYSA-N 1 0 368.481 2.063 20 30 FEEDRO Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C[NH2+]CCn1cnc(C#N)n1 ZINC000285556862 551774524 /nfs/dbraw/zinc/77/45/24/551774524.db2.gz REQKBQAYIKPJOX-UHFFFAOYSA-N 1 0 373.823 2.285 20 30 FEEDRO CC(C)[NH+]1CCN(C2CCN(C(=O)c3ccc(F)c(C#N)c3)CC2)CC1 ZINC000285858700 551819859 /nfs/dbraw/zinc/81/98/59/551819859.db2.gz UXTDOJYAZWKWTI-UHFFFAOYSA-N 1 0 358.461 2.328 20 30 FEEDRO CC[C@@](C)(C#N)C(=O)N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000285861503 551820321 /nfs/dbraw/zinc/82/03/21/551820321.db2.gz DKRGZRRTXAZCPJ-RXVVDRJESA-N 1 0 369.513 2.382 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N2CCC[C@H](Oc3ccccc3OC)C2)CC1 ZINC000286138886 551853360 /nfs/dbraw/zinc/85/33/60/551853360.db2.gz AEUGHUHHIAXRIY-SFHVURJKSA-N 1 0 356.466 2.410 20 30 FEEDRO COCC[NH+](CCOC)C1CCN(c2ccc([N+](=O)[O-])cc2C#N)CC1 ZINC000286409246 551884596 /nfs/dbraw/zinc/88/45/96/551884596.db2.gz OYFAYAYKRAKMMY-UHFFFAOYSA-N 1 0 362.430 2.030 20 30 FEEDRO C=CCSCCNC(=O)C(=O)N(CC)Cc1ccc(C[NH+](C)C)cc1 ZINC000286441123 551885842 /nfs/dbraw/zinc/88/58/42/551885842.db2.gz IAOLIAGFYMBTAZ-UHFFFAOYSA-N 1 0 363.527 2.132 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N2CCCCC[C@H]2c2ccncc2)CC1 ZINC000286475500 551890312 /nfs/dbraw/zinc/89/03/12/551890312.db2.gz IVNPONVTSXUHHP-IBGZPJMESA-N 1 0 370.497 2.292 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N(Cc2cccc(F)c2)C(C)C)CC1 ZINC000286487651 551891674 /nfs/dbraw/zinc/89/16/74/551891674.db2.gz JRBLQKJPDBEVSA-UHFFFAOYSA-N 1 0 361.461 2.329 20 30 FEEDRO CC(C)N(Cc1ccc(C#N)cc1)C(=O)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000286492371 551892321 /nfs/dbraw/zinc/89/23/21/551892321.db2.gz VUFHENVRNAZTSB-UHFFFAOYSA-N 1 0 370.497 2.286 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H](CC)c2ccc(F)cc2F)CC1 ZINC000286508213 551894200 /nfs/dbraw/zinc/89/42/00/551894200.db2.gz KTYWSDCMWPDTCF-QGZVFWFLSA-N 1 0 365.424 2.299 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H](C)Oc2cccc(C)c2)CC1 ZINC000286646352 551910242 /nfs/dbraw/zinc/91/02/42/551910242.db2.gz NENROOFCNGVVBT-QGZVFWFLSA-N 1 0 373.497 2.035 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@@H](C)Sc2ccccc2)CC1 ZINC000286711411 551917313 /nfs/dbraw/zinc/91/73/13/551917313.db2.gz QMTIOVKXZRQRKA-OAHLLOKOSA-N 1 0 361.511 2.050 20 30 FEEDRO C=CCOc1ccc(CNC(=O)N2CC[NH+](C3CCOCC3)CC2)cc1 ZINC000286769749 551924127 /nfs/dbraw/zinc/92/41/27/551924127.db2.gz GLNSLWBFXCIJGQ-UHFFFAOYSA-N 1 0 359.470 2.258 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H](C)Cc2ccc(C)s2)CC1 ZINC000286830213 551930878 /nfs/dbraw/zinc/93/08/78/551930878.db2.gz XBYBFVVZCTVJMN-CQSZACIVSA-N 1 0 363.527 2.260 20 30 FEEDRO CC[NH+](CC)CC(=O)Nc1cccc(N[C@H](C)C(=O)N(C)CCC#N)c1 ZINC000287081088 551961016 /nfs/dbraw/zinc/96/10/16/551961016.db2.gz CDWWPNJOBLJMLD-OAHLLOKOSA-N 1 0 359.474 2.139 20 30 FEEDRO CC[NH+](CC)CC(=O)Nc1cccc(N[C@@H](C)C(=O)N(C)CCC#N)c1 ZINC000287081084 551961043 /nfs/dbraw/zinc/96/10/43/551961043.db2.gz CDWWPNJOBLJMLD-HNNXBMFYSA-N 1 0 359.474 2.139 20 30 FEEDRO CCCN(CC[NH+]1CCCCC1)C(=O)C(=O)Nc1cccc(OCC#N)c1 ZINC000287730420 552039645 /nfs/dbraw/zinc/03/96/45/552039645.db2.gz CWEXLWORNAFDLF-UHFFFAOYSA-N 1 0 372.469 2.252 20 30 FEEDRO Cc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H](C[NH+](C)C)c1ccc(F)cc1 ZINC000287887682 552059071 /nfs/dbraw/zinc/05/90/71/552059071.db2.gz OOZSFUNYHCYXLH-SFHVURJKSA-N 1 0 368.412 2.363 20 30 FEEDRO C[C@H](CNS(=O)(=O)Cc1ccc(C#N)cc1)[N@H+](C)Cc1ccccc1 ZINC000288322318 552133017 /nfs/dbraw/zinc/13/30/17/552133017.db2.gz LEALLZJFDFNFRS-MRXNPFEDSA-N 1 0 357.479 2.498 20 30 FEEDRO C=CCN1CC[C@@H]([N@H+](C)C[C@@H](O)COc2cccc3ccccc32)C1=O ZINC000499940385 561562382 /nfs/dbraw/zinc/56/23/82/561562382.db2.gz RPFASAAXHKXRIH-IEBWSBKVSA-N 1 0 354.450 2.298 20 30 FEEDRO Cn1cc(C#N)c(NC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCC2(F)F)n1 ZINC000289084776 552263485 /nfs/dbraw/zinc/26/34/85/552263485.db2.gz CITYOSACBSNIQV-OAHLLOKOSA-N 1 0 359.380 2.388 20 30 FEEDRO C#CCN(Cc1ccccc1)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000289293771 552296622 /nfs/dbraw/zinc/29/66/22/552296622.db2.gz UVDSDOIGIJCWAK-PMACEKPBSA-N 1 0 355.482 2.209 20 30 FEEDRO C=CCN(CCc1ccco1)C(=O)C(=O)NCCC[NH+](C(C)C)C(C)C ZINC000289455963 552324811 /nfs/dbraw/zinc/32/48/11/552324811.db2.gz VUUUAQZCLIRYKO-UHFFFAOYSA-N 1 0 363.502 2.462 20 30 FEEDRO C[C@H]([NH2+]C(C)(C)CNS(=O)(=O)c1cncc(C#N)c1)c1ccccc1 ZINC000289765621 552374917 /nfs/dbraw/zinc/37/49/17/552374917.db2.gz KZFATDBLNCSMDO-AWEZNQCLSA-N 1 0 358.467 2.361 20 30 FEEDRO N#Cc1cncc(S(=O)(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)c1 ZINC000289768084 552375526 /nfs/dbraw/zinc/37/55/26/552375526.db2.gz LCMDWQJNNASLRL-SFHVURJKSA-N 1 0 356.451 2.069 20 30 FEEDRO C=CCOc1c(Br)cc(C[NH2+][C@@H](CO)COC)cc1OC ZINC000289779397 552377341 /nfs/dbraw/zinc/37/73/41/552377341.db2.gz KJKFOMUQMKCIKB-LBPRGKRZSA-N 1 0 360.248 2.119 20 30 FEEDRO C=CCOc1ccc(C[NH2+][C@@H]2CCC[C@@H]2CNS(C)(=O)=O)cc1OC ZINC000500575266 561577363 /nfs/dbraw/zinc/57/73/63/561577363.db2.gz XXTHDMDSEPLKIU-HZPDHXFCSA-N 1 0 368.499 2.068 20 30 FEEDRO C[N@H+](CCCNC(=O)C(=O)Nc1ccc(C#N)c(F)c1)Cc1ccccc1 ZINC000290154137 552435736 /nfs/dbraw/zinc/43/57/36/552435736.db2.gz CNYAUCDIAAGJBN-UHFFFAOYSA-N 1 0 368.412 2.274 20 30 FEEDRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)C(=O)Nc2ccc(C#N)c(F)c2)C1 ZINC000290175457 552438577 /nfs/dbraw/zinc/43/85/77/552438577.db2.gz FNDFNEJTKGKBPN-KBPBESRZSA-N 1 0 360.433 2.120 20 30 FEEDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(=O)Nc2ccc(C#N)c(F)c2)C1 ZINC000290175458 552438637 /nfs/dbraw/zinc/43/86/37/552438637.db2.gz FNDFNEJTKGKBPN-OKILXGFUSA-N 1 0 360.433 2.120 20 30 FEEDRO C[C@]1(CNC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)CCOC1 ZINC000500840020 561583941 /nfs/dbraw/zinc/58/39/41/561583941.db2.gz PBKOHTAAQLBGID-HXUWFJFHSA-N 1 0 356.470 2.202 20 30 FEEDRO C=C[C@@H](CO)NC(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000291064824 552582715 /nfs/dbraw/zinc/58/27/15/552582715.db2.gz RTGRAGFMJQFYAV-LSDHHAIUSA-N 1 0 357.376 2.126 20 30 FEEDRO CC1CC[NH+](CCCNC(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)CC1 ZINC000291727660 552655441 /nfs/dbraw/zinc/65/54/41/552655441.db2.gz RGWOKFHKHGBKSH-SFHVURJKSA-N 1 0 371.485 2.238 20 30 FEEDRO C[C@@H](CNC(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1)C[NH+]1CCCCC1 ZINC000291989006 552682033 /nfs/dbraw/zinc/68/20/33/552682033.db2.gz QLKIJSKFSGPBOL-FUHWJXTLSA-N 1 0 371.485 2.238 20 30 FEEDRO CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)C1 ZINC000292158092 552699644 /nfs/dbraw/zinc/69/96/44/552699644.db2.gz KRSDFJQUNURNBE-HNAYVOBHSA-N 1 0 360.433 2.145 20 30 FEEDRO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3cc(=O)oc4cc(O)ccc34)C2)nc1 ZINC000292272557 552710892 /nfs/dbraw/zinc/71/08/92/552710892.db2.gz SGYZJRAXOJQEFJ-MRXNPFEDSA-N 1 0 363.373 2.419 20 30 FEEDRO CC(C)(C)c1cc(NC(=O)CN2CC[C@H](Oc3ccc(C#N)cn3)C2)on1 ZINC000292311990 552714891 /nfs/dbraw/zinc/71/48/91/552714891.db2.gz VIUUERMUQOLKSN-AWEZNQCLSA-N 1 0 369.425 2.331 20 30 FEEDRO C=C[C@H](CO)NC(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000292933001 552772354 /nfs/dbraw/zinc/77/23/54/552772354.db2.gz KLXZNUUOXZKUOP-XJKCOSOUSA-N 1 0 355.841 2.318 20 30 FEEDRO N#Cc1cc(F)ccc1CS(=O)(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000294291484 552894572 /nfs/dbraw/zinc/89/45/72/552894572.db2.gz HCOAXOCZRCCTFA-LJQANCHMSA-N 1 0 373.453 2.391 20 30 FEEDRO C=CCS(=O)(=O)CC[NH2+][C@@H](C)c1ccc(N2CCCOC2=O)cc1 ZINC000294527671 552912980 /nfs/dbraw/zinc/91/29/80/552912980.db2.gz ZROANOUNXLQRST-AWEZNQCLSA-N 1 0 352.456 2.285 20 30 FEEDRO C#CCCOc1ccc(C(=O)N2CCC(C[NH+]3CCOCC3)CC2)cc1 ZINC000294531159 552913528 /nfs/dbraw/zinc/91/35/28/552913528.db2.gz PQMGHAKEZQUROM-UHFFFAOYSA-N 1 0 356.466 2.273 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)CC1 ZINC000294621372 552921185 /nfs/dbraw/zinc/92/11/85/552921185.db2.gz NNYFJNPZKXRLPD-UHFFFAOYSA-N 1 0 355.398 2.365 20 30 FEEDRO Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)Nc2sccc2C#N)o1 ZINC000294669760 552925382 /nfs/dbraw/zinc/92/53/82/552925382.db2.gz HPACNFUBQRPICD-UHFFFAOYSA-N 1 0 360.439 2.050 20 30 FEEDRO C=CCOc1ccc(CC(=O)NCC2CC[NH+](CCN(C)C)CC2)cc1 ZINC000294990291 552949665 /nfs/dbraw/zinc/94/96/65/552949665.db2.gz UEGQMUIZIADYIF-UHFFFAOYSA-N 1 0 359.514 2.184 20 30 FEEDRO CN(C)C(=O)O[C@@H]1CC[N@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000295103266 552959124 /nfs/dbraw/zinc/95/91/24/552959124.db2.gz KRBPVSBYPFOZFT-QGZVFWFLSA-N 1 0 368.441 2.131 20 30 FEEDRO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1C[C@@H](c2cnn(C)c2)C2(C1)CCOCC2 ZINC000295133283 552962180 /nfs/dbraw/zinc/96/21/80/552962180.db2.gz LHKGWPKEMRIQMG-HKUYNNGSSA-N 1 0 372.513 2.205 20 30 FEEDRO C[C@H](c1ccc(C#N)cc1)[N@H+](C)CCN(C)c1ccc(S(N)(=O)=O)cc1 ZINC000295210478 552970155 /nfs/dbraw/zinc/97/01/55/552970155.db2.gz MCIOGMYSPSWOJD-OAHLLOKOSA-N 1 0 372.494 2.335 20 30 FEEDRO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)C(C)(C)C(N)=O ZINC000295512264 553019010 /nfs/dbraw/zinc/01/90/10/553019010.db2.gz UDZRFQTYUVYWSZ-UHFFFAOYSA-N 1 0 362.499 2.413 20 30 FEEDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1S(=O)(=O)Cc1ccc(F)cc1C#N ZINC000295980978 553084647 /nfs/dbraw/zinc/08/46/47/553084647.db2.gz LALLTRFFULPKKW-GUYCJALGSA-N 1 0 351.447 2.086 20 30 FEEDRO CC(C)[N@@H+]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C)CC1 ZINC000296013108 553089371 /nfs/dbraw/zinc/08/93/71/553089371.db2.gz REWUEEBFBROPSJ-UHFFFAOYSA-N 1 0 354.458 2.186 20 30 FEEDRO C=CCOc1cccc(NC(=O)C(=O)N2CC[N@@H+](C3CC3)C[C@H](C)C2)c1 ZINC000296011772 553089461 /nfs/dbraw/zinc/08/94/61/553089461.db2.gz KGMBJBMVSAPNSJ-HNNXBMFYSA-N 1 0 357.454 2.133 20 30 FEEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]C[C@@]2(O)CCS(=O)(=O)C2)cc1 ZINC000296233619 553126882 /nfs/dbraw/zinc/12/68/82/553126882.db2.gz CDVVLDJHTCYNCO-CJNGLKHVSA-N 1 0 359.875 2.018 20 30 FEEDRO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1CCC(CCC(N)=O)CC1 ZINC000502548589 561620810 /nfs/dbraw/zinc/62/08/10/561620810.db2.gz MZMFBDAGIXTJKI-LFDOHDQPSA-N 1 0 362.518 2.283 20 30 FEEDRO CCC[C@H]([NH2+]C(C)C)C(=O)N1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000502553453 561620905 /nfs/dbraw/zinc/62/09/05/561620905.db2.gz HLOUPINLXGCOBT-GZRFBZBPSA-N 1 0 354.454 2.025 20 30 FEEDRO C=CCOc1ccc(/C=C/C(=O)N[C@H]2CCC[N@H+](CCCO)C2)cc1OC ZINC000296499433 553170425 /nfs/dbraw/zinc/17/04/25/553170425.db2.gz SWFYNLSQYIAQSU-LNENJAERSA-N 1 0 374.481 2.236 20 30 FEEDRO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000296785299 553211378 /nfs/dbraw/zinc/21/13/78/553211378.db2.gz JGYRFSOXFJOHGO-INIZCTEOSA-N 1 0 360.433 2.263 20 30 FEEDRO C#CC[N@@H+](C)CCCNC(=O)N1CCC([C@H](O)c2ccc(OC)cc2)CC1 ZINC000296793569 553212508 /nfs/dbraw/zinc/21/25/08/553212508.db2.gz HQZPRYBQLGVEIM-HXUWFJFHSA-N 1 0 373.497 2.105 20 30 FEEDRO Cc1cc(CNS(=O)(=O)CC(C)(C)CC#N)cc(N2CCCC2)n1 ZINC000296878696 553224101 /nfs/dbraw/zinc/22/41/01/553224101.db2.gz CSQLGQCUIXUBPQ-UHFFFAOYSA-N 1 0 350.488 2.350 20 30 FEEDRO N#Cc1cc(F)ccc1CS(=O)(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000296945342 553233308 /nfs/dbraw/zinc/23/33/08/553233308.db2.gz XQBVGUQBUNCAOU-KRWDZBQOSA-N 1 0 351.447 2.087 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000296958403 553235082 /nfs/dbraw/zinc/23/50/82/553235082.db2.gz QSLIASCZCKEZOM-CQSZACIVSA-N 1 0 371.407 2.204 20 30 FEEDRO C[C@@H]1CN(S(=O)(=O)Cc2ccc(F)cc2C#N)CC[N@@H+](C2CCC2)C1 ZINC000296999158 553240526 /nfs/dbraw/zinc/24/05/26/553240526.db2.gz JLLDNKWXJZNZGN-AWEZNQCLSA-N 1 0 365.474 2.333 20 30 FEEDRO C[NH+](C)C1CCN(CCNc2ncc(Br)cc2C#N)CC1 ZINC000297519526 553303221 /nfs/dbraw/zinc/30/32/21/553303221.db2.gz OKGJODZMTIEBNI-UHFFFAOYSA-N 1 0 352.280 2.154 20 30 FEEDRO C=CCCCN(C)C(=O)C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000297642504 553319550 /nfs/dbraw/zinc/31/95/50/553319550.db2.gz IPBYIPRKNAPVFF-IBGZPJMESA-N 1 0 357.498 2.392 20 30 FEEDRO C=CCN(Cc1ccccc1)C(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000297684415 553324590 /nfs/dbraw/zinc/32/45/90/553324590.db2.gz BAQDDYBKABNOTF-OALUTQOASA-N 1 0 355.482 2.144 20 30 FEEDRO COC(=O)[C@]1(C)C[N@@H+]([C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C[C@H]1C ZINC000503241540 561637830 /nfs/dbraw/zinc/63/78/30/561637830.db2.gz MMTTZPQRPZLJSR-AYXOFBPESA-N 1 0 363.502 2.437 20 30 FEEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N1CC[C@H](C[N@@H+](C)CC)C1 ZINC000298263758 553405303 /nfs/dbraw/zinc/40/53/03/553405303.db2.gz GKIGFGGBOHQPKE-GOSISDBHSA-N 1 0 373.497 2.010 20 30 FEEDRO COC[C@H]([NH2+]CCC(=O)Nc1ccc(C#N)c(Cl)c1)[C@@H]1CCCO1 ZINC000298582810 553444139 /nfs/dbraw/zinc/44/41/39/553444139.db2.gz RDUSIBZXQOEWGB-HOTGVXAUSA-N 1 0 351.834 2.324 20 30 FEEDRO C[NH+](C)C1(CNC(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)CCCC1 ZINC000298597829 553446665 /nfs/dbraw/zinc/44/66/65/553446665.db2.gz CHHGUMGVIQTEEO-UHFFFAOYSA-N 1 0 356.470 2.417 20 30 FEEDRO CCN(CCC[NH+](CC)CC)C(=O)C(=O)N(C)Cc1cccc(C#N)c1 ZINC000298699799 553460213 /nfs/dbraw/zinc/46/02/13/553460213.db2.gz QVLQPAKCBQVEBF-UHFFFAOYSA-N 1 0 358.486 2.097 20 30 FEEDRO CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000299142868 553521078 /nfs/dbraw/zinc/52/10/78/553521078.db2.gz AEBGAVJRWFTXQE-VQIMIIECSA-N 1 0 370.497 2.191 20 30 FEEDRO C[N@H+](CCNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)Cc1ccccc1 ZINC000504095142 561653229 /nfs/dbraw/zinc/65/32/29/561653229.db2.gz PJSHAJNAJGPONN-HXUWFJFHSA-N 1 0 359.470 2.496 20 30 FEEDRO COc1cccc(OC)c1OC[C@@H](O)C[N@H+](C)Cc1ccc(C#N)cc1 ZINC000299244165 553535941 /nfs/dbraw/zinc/53/59/41/553535941.db2.gz WJRSRVIFQKCUBI-KRWDZBQOSA-N 1 0 356.422 2.447 20 30 FEEDRO CC(C)[C@](C)(C#N)NC(=O)C[N@H+](C)[C@H](C)c1ccc(-n2cncn2)cc1 ZINC000299298227 553544258 /nfs/dbraw/zinc/54/42/58/553544258.db2.gz ACQWAOMZEQACCT-BEFAXECRSA-N 1 0 354.458 2.315 20 30 FEEDRO C=CCCc1ccccc1NC(=O)C(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000504055197 561652489 /nfs/dbraw/zinc/65/24/89/561652489.db2.gz NLZQLFMQCYZBSK-UHFFFAOYSA-N 1 0 373.497 2.049 20 30 FEEDRO COc1ccc([C@@H](C/N=C/c2c(O)c(C)ncc2CO)[NH+](C)C)cc1OC ZINC000299505542 553572999 /nfs/dbraw/zinc/57/29/99/553572999.db2.gz VHSMRJKXYOHMLF-LYUVJKPTSA-N 1 0 373.453 2.327 20 30 FEEDRO CC[NH+](CC)CC(=O)N1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000301129338 553624633 /nfs/dbraw/zinc/62/46/33/553624633.db2.gz WQJLTNUUUUVNTH-UHFFFAOYSA-N 1 0 351.454 2.097 20 30 FEEDRO C#CCNC(=O)c1ccc(NCC2([NH+]3CCSCC3)CCCC2)nc1 ZINC000301233651 553633656 /nfs/dbraw/zinc/63/36/56/553633656.db2.gz KPWZBTPJBXHLOL-UHFFFAOYSA-N 1 0 358.511 2.218 20 30 FEEDRO CC(C)c1nc(NC2CCN(c3ccc(C#N)cn3)CC2)nc(N(C)C)n1 ZINC000301952981 553693985 /nfs/dbraw/zinc/69/39/85/553693985.db2.gz COLGTYXWVHHKBJ-UHFFFAOYSA-N 1 0 366.473 2.409 20 30 FEEDRO CN(CC[NH+]1CCN(c2ccccc2)CC1)c1nc2ccccn2c1C#N ZINC000302192584 553709473 /nfs/dbraw/zinc/70/94/73/553709473.db2.gz RNTIDEUBKJNKPD-UHFFFAOYSA-N 1 0 360.465 2.464 20 30 FEEDRO C[C@H]1[C@@H](NS(=O)(=O)c2ccccc2C#N)CC[N@@H+]1Cc1ccccc1 ZINC000310778481 553754026 /nfs/dbraw/zinc/75/40/26/553754026.db2.gz OGQXOJRRJUCKKE-YJBOKZPZSA-N 1 0 355.463 2.500 20 30 FEEDRO C[C@@H]1[C@@H](NS(=O)(=O)c2ccccc2C#N)CC[N@@H+]1Cc1ccccc1 ZINC000310778478 553754479 /nfs/dbraw/zinc/75/44/79/553754479.db2.gz OGQXOJRRJUCKKE-QAPCUYQASA-N 1 0 355.463 2.500 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1Cl ZINC000321644696 553766971 /nfs/dbraw/zinc/76/69/71/553766971.db2.gz BJCVXXGFQRWELX-CJNGLKHVSA-N 1 0 353.875 2.364 20 30 FEEDRO CCNC(=O)N1CC[C@H](NC(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)C1 ZINC000328615944 553796793 /nfs/dbraw/zinc/79/67/93/553796793.db2.gz SBOOREDHGQPUSY-RDJZCZTQSA-N 1 0 365.522 2.295 20 30 FEEDRO C[C@H](CNC(=O)N[C@H]1CC[C@@H](C(=O)N2CCCC2)C1)[NH+]1CCC(C)CC1 ZINC000328621071 553797435 /nfs/dbraw/zinc/79/74/35/553797435.db2.gz XIYMOMRCEVCVDN-KURKYZTESA-N 1 0 364.534 2.402 20 30 FEEDRO CCS(=O)(=O)N1CCC[C@H](C(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC000328645240 553801180 /nfs/dbraw/zinc/80/11/80/553801180.db2.gz ASPSJGUBENJCDM-JKSUJKDBSA-N 1 0 359.536 2.125 20 30 FEEDRO O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)NC[C@H]1COCCO1 ZINC000328701839 553809758 /nfs/dbraw/zinc/80/97/58/553809758.db2.gz WVOMJJFRBZZHGT-IBGZPJMESA-N 1 0 361.486 2.482 20 30 FEEDRO C[NH+](C)C1(CNC(=O)NC[C@@H]2CCC3(CCOCC3)[C@@H]2O)CCCCC1 ZINC000328715067 553811321 /nfs/dbraw/zinc/81/13/21/553811321.db2.gz SSAMDJDFNGEOFS-DLBZAZTESA-N 1 0 367.534 2.322 20 30 FEEDRO Cc1ccc([C@H](CNC(=O)N2CC(=O)N(C)[C@@H](C)C2)[NH+]2CCCC2)cc1 ZINC000328717858 553811712 /nfs/dbraw/zinc/81/17/12/553811712.db2.gz PMZKPDGSWUXZNR-WMZOPIPTSA-N 1 0 358.486 2.208 20 30 FEEDRO C[C@H](C(=O)NC(=O)NC1CC1)N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000328739348 553814987 /nfs/dbraw/zinc/81/49/87/553814987.db2.gz HVWLOBUDIDVNDD-RBSFLKMASA-N 1 0 366.506 2.229 20 30 FEEDRO C[N@@H+]1CC[C@H](NC(=O)NC2CCN(C(=O)C3CC3)CC2)[C@@H]1c1ccccc1 ZINC000328825823 553828242 /nfs/dbraw/zinc/82/82/42/553828242.db2.gz SBLJXADRDXTFNW-OALUTQOASA-N 1 0 370.497 2.336 20 30 FEEDRO CC(=O)N1CCCN(C(=O)N[C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)CC1 ZINC000328825201 553828451 /nfs/dbraw/zinc/82/84/51/553828451.db2.gz RUGRGNNXNZRZAZ-VQIMIIECSA-N 1 0 358.486 2.290 20 30 FEEDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)N1CCN(C(=O)C2CCCCC2)CC1 ZINC000328829279 553829671 /nfs/dbraw/zinc/82/96/71/553829671.db2.gz UBCXPOHWIQTUBJ-MSOLQXFVSA-N 1 0 362.518 2.252 20 30 FEEDRO C[C@H]1C[N@H+](CC(=O)N2CCC(NC(=O)c3ccccc3)CC2)CCCO1 ZINC000328842264 553831162 /nfs/dbraw/zinc/83/11/62/553831162.db2.gz IAGBWHPXBVYQLK-INIZCTEOSA-N 1 0 359.470 2.093 20 30 FEEDRO CN(C(=O)CNC(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1)C1CCCCC1 ZINC000328855704 553833532 /nfs/dbraw/zinc/83/35/32/553833532.db2.gz JZHIMWVCORBQBU-QGZVFWFLSA-N 1 0 364.534 2.355 20 30 FEEDRO COCCOc1ncccc1NC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000328878709 553837497 /nfs/dbraw/zinc/83/74/97/553837497.db2.gz UTBOVBZZIUDVBR-INIZCTEOSA-N 1 0 362.474 2.316 20 30 FEEDRO CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)NCC[NH+]1CCCCCC1 ZINC000328912044 553843793 /nfs/dbraw/zinc/84/37/93/553843793.db2.gz GXVXMVFKCCVZMN-MRXNPFEDSA-N 1 0 359.536 2.413 20 30 FEEDRO CN1CC[C@H](NC(=O)N[C@@H]2CCCNC2=O)[C@H]1c1ccc(F)c(F)c1 ZINC000328936566 553848709 /nfs/dbraw/zinc/84/87/09/553848709.db2.gz FYUDJZSMPYQGPG-RRFJBIMHSA-N 1 0 352.385 2.333 20 30 FEEDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)[C@@H]2CCc3n[nH]nc3C2)CC1 ZINC000328947274 553850936 /nfs/dbraw/zinc/85/09/36/553850936.db2.gz GUBXXLVDZDQQKM-UKRRQHHQSA-N 1 0 354.458 2.487 20 30 FEEDRO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCN(CC(=O)NC2CCCCC2)CC1 ZINC000328961179 553853273 /nfs/dbraw/zinc/85/32/73/553853273.db2.gz PYHNBIMUYZLFSV-SFHVURJKSA-N 1 0 364.534 2.294 20 30 FEEDRO CCn1ccnc1[C@H]1OCC[C@@H]1NC(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000328962811 553854390 /nfs/dbraw/zinc/85/43/90/553854390.db2.gz LELWYJKJUGZBCZ-IRXDYDNUSA-N 1 0 363.506 2.357 20 30 FEEDRO C[C@H]1CCCC[N@@H+]1CCC(=O)N[C@@H]1CC(=O)N(C2CC2)[C@H]1c1ccnn1C ZINC000328994872 553861048 /nfs/dbraw/zinc/86/10/48/553861048.db2.gz JLBTUCGQOBYGDX-YYFZDKIDSA-N 1 0 373.501 2.446 20 30 FEEDRO CC(=O)N1CCN(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)CC12CCCCC2 ZINC000329008395 553862995 /nfs/dbraw/zinc/86/29/95/553862995.db2.gz ZQKHKOUBNCDWLA-QZTJIDSGSA-N 1 0 362.518 2.394 20 30 FEEDRO C[C@H]([NH2+]C1(CNC(=O)[C@@H]2COCCN2C)CCOCC1)c1ccccc1 ZINC000329049755 553871652 /nfs/dbraw/zinc/87/16/52/553871652.db2.gz WCYKENVUUKEDBD-WMZOPIPTSA-N 1 0 361.486 2.174 20 30 FEEDRO CC1(CNC(=O)NCC2([NH+]3CCOCC3)CCCCC2)CCOCC1 ZINC000329122795 553884147 /nfs/dbraw/zinc/88/41/47/553884147.db2.gz LDFBFZJYCRDPFN-UHFFFAOYSA-N 1 0 353.507 2.342 20 30 FEEDRO CCCN(CC(=O)N[C@@H]1CCOc2ccccc21)[C@H]1CCS(=O)(=O)C1 ZINC000329127830 553885001 /nfs/dbraw/zinc/88/50/01/553885001.db2.gz UZYXHUVEYRXAHQ-GOEBONIOSA-N 1 0 366.483 2.366 20 30 FEEDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N[C@H]1CCO[C@@H]1c1nccn1C ZINC000329144563 553889186 /nfs/dbraw/zinc/88/91/86/553889186.db2.gz WJOKFWNGJAJYBW-QEOTZNIISA-N 1 0 363.506 2.120 20 30 FEEDRO CC(C)[C@@H]1C[C@H](NC(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CCO1 ZINC000329154498 553890813 /nfs/dbraw/zinc/89/08/13/553890813.db2.gz URPDLQXJQSFFPS-TVFCKZIOSA-N 1 0 353.507 2.071 20 30 FEEDRO CCOc1cccc(N2CCN(C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@H]34)CC2)n1 ZINC000329164143 553893157 /nfs/dbraw/zinc/89/31/57/553893157.db2.gz GTEFYMUHVIUYSO-IAGOWNOFSA-N 1 0 373.501 2.143 20 30 FEEDRO CC[C@@H]1CN(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C[C@H](C)S1(=O)=O ZINC000329212866 553903786 /nfs/dbraw/zinc/90/37/86/553903786.db2.gz INUGRBPXRWJZDE-GXTWGEPZSA-N 1 0 359.536 2.107 20 30 FEEDRO C[C@@H]1CCC[C@H](NC(=O)CN2CCN(CC(=O)N3CCCCC3)CC2)C1 ZINC000329215790 553904452 /nfs/dbraw/zinc/90/44/52/553904452.db2.gz NIFIIMJMUNSCAB-MSOLQXFVSA-N 1 0 364.534 2.152 20 30 FEEDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NCC(=O)N1CCCc2ccccc21 ZINC000329244555 553910008 /nfs/dbraw/zinc/91/00/08/553910008.db2.gz PXQWYAAGOVSNJI-SJLPKXTDSA-N 1 0 370.497 2.438 20 30 FEEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccc(C#N)cc2)C1 ZINC000506402245 561698126 /nfs/dbraw/zinc/69/81/26/561698126.db2.gz IMXRPHPKWBRCST-DNVCBOLYSA-N 1 0 362.433 2.448 20 30 FEEDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)N[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000329298372 553920311 /nfs/dbraw/zinc/92/03/11/553920311.db2.gz UHYDHTASSIHNMR-RYRKJORJSA-N 1 0 356.470 2.265 20 30 FEEDRO O=C(CNC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1)N1CCCc2ccccc21 ZINC000329331594 553926349 /nfs/dbraw/zinc/92/63/49/553926349.db2.gz WFACSZNXRMHMAD-GOSISDBHSA-N 1 0 370.497 2.440 20 30 FEEDRO CC(C)c1nnc2n1C[C@H](NC(=O)N1CC[C@@H](C3CC[NH+](C)CC3)C1)CC2 ZINC000329334284 553927213 /nfs/dbraw/zinc/92/72/13/553927213.db2.gz KRRZIKLCMAGBAE-IAGOWNOFSA-N 1 0 374.533 2.294 20 30 FEEDRO CC(C)[C@H]([NH2+]CC(=O)N[C@@H]1CCCc2ccccc21)C(=O)N1CCOCC1 ZINC000329417042 553942372 /nfs/dbraw/zinc/94/23/72/553942372.db2.gz ZJFSRSXULZFDFQ-QUCCMNQESA-N 1 0 373.497 2.494 20 30 FEEDRO C[NH+](C)C1(CNC(=O)N2CCO[C@H](Cn3cccn3)C2)CCCCCC1 ZINC000329440866 553947041 /nfs/dbraw/zinc/94/70/41/553947041.db2.gz KVQBBHSCXUFJGG-KRWDZBQOSA-N 1 0 363.506 2.153 20 30 FEEDRO C[C@@H]1C(=O)Nc2cc(C(=O)N[C@@H](CO)C[NH+]3CCCCC3)ccc2N1C ZINC000329447827 553948632 /nfs/dbraw/zinc/94/86/32/553948632.db2.gz LKVIYYVQAZVDAT-UKRRQHHQSA-N 1 0 360.458 2.264 20 30 FEEDRO CC[C@@H]1CN(C(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2ccnn2C)CCCO1 ZINC000329479892 553954365 /nfs/dbraw/zinc/95/43/65/553954365.db2.gz CSTPSHMXKKMOGT-LZLYRXPVSA-N 1 0 363.506 2.218 20 30 FEEDRO Cc1nc([C@H]2CN(C(=O)NC3CC[NH+](C4CCCC4)CC3)CCO2)no1 ZINC000329500270 553958219 /nfs/dbraw/zinc/95/82/19/553958219.db2.gz KFKNYJYBXKJGOR-MRXNPFEDSA-N 1 0 363.462 2.072 20 30 FEEDRO C[NH+]1CCN(c2cc(CNC(=O)NC[C@@H]3CCCCS3)ccn2)CC1 ZINC000329509698 553959369 /nfs/dbraw/zinc/95/93/69/553959369.db2.gz BGKKVHPXBNSGID-INIZCTEOSA-N 1 0 363.531 2.123 20 30 FEEDRO CN(C(=O)NCC[NH+]1CCC2(CCCCC2)CC1)[C@H]1CCN(C)C1=O ZINC000329527616 553962272 /nfs/dbraw/zinc/96/22/72/553962272.db2.gz UHCJESZISKOICY-INIZCTEOSA-N 1 0 350.507 2.109 20 30 FEEDRO CCO[C@@H]1C[C@H](NC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)[C@]12CCCO2 ZINC000329558972 553967296 /nfs/dbraw/zinc/96/72/96/553967296.db2.gz IFGZMGBRXPRSPX-SFNKJDCFSA-N 1 0 351.491 2.045 20 30 FEEDRO Cc1nn(C)c(C)c1NC(=O)[C@@H](C)N1CCOCC2(CCOCC2)C1 ZINC000329566637 553968466 /nfs/dbraw/zinc/96/84/66/553968466.db2.gz OVZSMYRHRSWLLT-OAHLLOKOSA-N 1 0 350.463 2.142 20 30 FEEDRO C[N@@H+]1CCCC[C@@H]1CCC(=O)NC1CCN(S(=O)(=O)C2CC2)CC1 ZINC000329582172 553971247 /nfs/dbraw/zinc/97/12/47/553971247.db2.gz XHSGEJDDCZVFRX-OAHLLOKOSA-N 1 0 357.520 2.164 20 30 FEEDRO C[C@@H]1CN(C[C@@H]2CCCN2C(=O)Nc2cn(C)nc2C2CC2)C[C@@H](C)O1 ZINC000329598258 553974570 /nfs/dbraw/zinc/97/45/70/553974570.db2.gz DCDNWCSQKDEZSJ-FMKPAKJESA-N 1 0 361.490 2.417 20 30 FEEDRO C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCCC[C@H]1c1nnc([C@H]2CCCO2)o1 ZINC000329632889 553980482 /nfs/dbraw/zinc/98/04/82/553980482.db2.gz WLBAEYUXEAFWDJ-QLFBSQMISA-N 1 0 363.462 2.456 20 30 FEEDRO C[C@H](CN1CCCCC1)NC(=O)N1CCS(=O)(=O)C2(CCCCC2)C1 ZINC000329644880 553981445 /nfs/dbraw/zinc/98/14/45/553981445.db2.gz ZIPBWHVVAZIZER-MRXNPFEDSA-N 1 0 371.547 2.208 20 30 FEEDRO Cc1ccc(F)c(OCC(=O)NC2CC[NH+]([C@H]3CCN(C)C3=O)CC2)c1 ZINC000329649420 553982222 /nfs/dbraw/zinc/98/22/22/553982222.db2.gz KENUZQYJWNUNDE-INIZCTEOSA-N 1 0 363.433 2.165 20 30 FEEDRO Cc1ccc(F)c(OCC(=O)NC2CC[NH+]([C@@H]3CCN(C)C3=O)CC2)c1 ZINC000329649421 553982256 /nfs/dbraw/zinc/98/22/56/553982256.db2.gz KENUZQYJWNUNDE-MRXNPFEDSA-N 1 0 363.433 2.165 20 30 FEEDRO C[C@@H]1C[C@H](NC(=O)N[C@H]2C[C@H](C)S(=O)(=O)c3sccc32)CC[N@@H+]1C ZINC000329680451 553987130 /nfs/dbraw/zinc/98/71/30/553987130.db2.gz WLWDPYJNPSZTNY-CZXHOFHRSA-N 1 0 371.528 2.341 20 30 FEEDRO CC(C)(C)c1cn2c(n1)CC[C@@H](NC(=O)N1CCOCC(F)(F)C1)C2 ZINC000329679793 553987441 /nfs/dbraw/zinc/98/74/41/553987441.db2.gz WDKQJHGSRGRSCG-GFCCVEGCSA-N 1 0 356.417 2.377 20 30 FEEDRO C[NH+]1CCN(c2ncccc2CNC(=O)NC[C@H]2CCCCS2)CC1 ZINC000329678271 553987522 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C[NH+](C)[C@]1(CNC(=O)C2CCC3(CC2)NC(=O)NC3=O)CCSC1 ZINC000330049543 554054895 /nfs/dbraw/zinc/05/48/95/554054895.db2.gz KXQKHAGSDOARGD-AJQRCPHMSA-N 1 0 354.476 2.193 20 30 FEEDRO C[C@H](O)C[N@@H+]1CCN(C(=O)NC[C@@H]2CCC3(CCCCC3)O2)C[C@H]1C ZINC000330048902 554055135 /nfs/dbraw/zinc/05/51/35/554055135.db2.gz KJJFKSNBBGMDSU-IKGGRYGDSA-N 1 0 353.507 2.169 20 30 FEEDRO CC(C)[C@@H](CNC(=O)N1CC[C@H](N2CCCC2=O)C1)[NH+]1CCC(C)CC1 ZINC000330065582 554057946 /nfs/dbraw/zinc/05/79/46/554057946.db2.gz SDOSLRNXFMNSNN-ZWKOTPCHSA-N 1 0 364.534 2.354 20 30 FEEDRO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2C[C@H](C)C[C@@H]2c2cccnc2)CC1 ZINC000330096298 554063956 /nfs/dbraw/zinc/06/39/56/554063956.db2.gz XCWLLOQUQKDVIG-RLLQIKCJSA-N 1 0 369.513 2.157 20 30 FEEDRO CS[C@@H]1CN(C(=O)CCNC(=O)c2ccsc2)C[C@H]1[NH+]1CCCC1 ZINC000330125317 554068789 /nfs/dbraw/zinc/06/87/89/554068789.db2.gz LVJPFGHLWYHWQJ-HUUCEWRRSA-N 1 0 367.540 2.481 20 30 FEEDRO CC(C)[C@H](C(=O)N[C@@H]1CCCN(c2ccnn2C)C1=O)[NH+]1CCCCC1 ZINC000330160060 554076470 /nfs/dbraw/zinc/07/64/70/554076470.db2.gz QWCBNXBBWYJNKC-NVXWUHKLSA-N 1 0 361.490 2.383 20 30 FEEDRO Cc1ccc(NC(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)cc1N1CCNC1=O ZINC000330206285 554084927 /nfs/dbraw/zinc/08/49/27/554084927.db2.gz DDLHZMJKSKVHES-JKSUJKDBSA-N 1 0 357.458 2.491 20 30 FEEDRO CC[C@@H]1CO[C@H](C)CN1C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000330231557 554089740 /nfs/dbraw/zinc/08/97/40/554089740.db2.gz RBQNHJFZPWKFKQ-DDBAPUKQSA-N 1 0 353.507 2.168 20 30 FEEDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N[C@H]2CCOC3(CCOCC3)C2)C1 ZINC000330271482 554097255 /nfs/dbraw/zinc/09/72/55/554097255.db2.gz VZTVBCGAPSLJGW-SJORKVTESA-N 1 0 353.507 2.339 20 30 FEEDRO C[NH+](C)C1(CNC(=O)N[C@H]2CCOC3(CCOCC3)C2)CCCCC1 ZINC000330298927 554101736 /nfs/dbraw/zinc/10/17/36/554101736.db2.gz HRUPYIAHXZDQQR-INIZCTEOSA-N 1 0 353.507 2.483 20 30 FEEDRO CN(C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1)C(=O)NCc1ccccn1 ZINC000330319487 554104539 /nfs/dbraw/zinc/10/45/39/554104539.db2.gz DGKRBJHTJDBDPZ-MAUKXSAKSA-N 1 0 356.474 2.244 20 30 FEEDRO C[C@@H]1COCC[C@H]1NC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000330334738 554107494 /nfs/dbraw/zinc/10/74/94/554107494.db2.gz QXYAOGVUJVJHSZ-IAGOWNOFSA-N 1 0 353.507 2.198 20 30 FEEDRO CCC(=O)N[C@@H]1CCCN(C(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000330482316 554127158 /nfs/dbraw/zinc/12/71/58/554127158.db2.gz RGTGKXZHZDJBBC-HZPDHXFCSA-N 1 0 352.523 2.402 20 30 FEEDRO C[C@H](CC[NH+](C)C)NC(=O)c1ccc2c(c1)C[C@@H](C)N2S(C)(=O)=O ZINC000330553850 554137456 /nfs/dbraw/zinc/13/74/56/554137456.db2.gz GCBBBRXYMFFPJV-CHWSQXEVSA-N 1 0 353.488 2.042 20 30 FEEDRO C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)N[C@@H]1CC[C@@H]([NH+](C)C)C1 ZINC000330595460 554143510 /nfs/dbraw/zinc/14/35/10/554143510.db2.gz QXIFSEHXPDTHNQ-FVQBIDKESA-N 1 0 367.515 2.480 20 30 FEEDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000330707650 554161012 /nfs/dbraw/zinc/16/10/12/554161012.db2.gz MGZVOBIMDTVYOR-OAHLLOKOSA-N 1 0 353.488 2.116 20 30 FEEDRO 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ZINC000331009223 554200469 /nfs/dbraw/zinc/20/04/69/554200469.db2.gz RJTUBLQFKSYYHU-INIZCTEOSA-N 1 0 352.523 2.402 20 30 FEEDRO CC[C@H](C)n1ncc(NC(=O)N2CC[N@H+](C[C@@H](C)O)[C@H](CC)C2)c1C ZINC000331132719 554218706 /nfs/dbraw/zinc/21/87/06/554218706.db2.gz PHPTZCAYSAVYFP-SQWLQELKSA-N 1 0 351.495 2.485 20 30 FEEDRO CC[C@@H](C)n1ncc(NC(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)c1C ZINC000331168567 554224853 /nfs/dbraw/zinc/22/48/53/554224853.db2.gz YWFBMSQLGJQLER-ZIAGYGMSSA-N 1 0 351.495 2.485 20 30 FEEDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)NC[C@H](O)C(F)(F)F)CC1 ZINC000331288596 554241803 /nfs/dbraw/zinc/24/18/03/554241803.db2.gz JHLVWPNYRQRXLI-RISCZKNCSA-N 1 0 360.380 2.034 20 30 FEEDRO O=C(NC[C@H]1CCCC[N@H+]1CCO)c1cc(Br)ccc1O ZINC000331316059 554246596 /nfs/dbraw/zinc/24/65/96/554246596.db2.gz JDDXTUFOYXZZRD-GFCCVEGCSA-N 1 0 357.248 2.306 20 30 FEEDRO O=C(NC[C@@H]1CCCC[N@H+]1CCO)c1ccc(Br)cc1O ZINC000331329596 554247927 /nfs/dbraw/zinc/24/79/27/554247927.db2.gz OCUCMOHUINDZQL-LBPRGKRZSA-N 1 0 357.248 2.306 20 30 FEEDRO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000331406979 554259288 /nfs/dbraw/zinc/25/92/88/554259288.db2.gz ULXFKLDGWZOOSU-RDJZCZTQSA-N 1 0 354.454 2.220 20 30 FEEDRO C[C@@H]1CCC[N@H+](CCNC(=O)N2CCN(c3ccccc3C#N)CC2)C1 ZINC000331464569 554268848 /nfs/dbraw/zinc/26/88/48/554268848.db2.gz ZPODWZKHHWJYPG-QGZVFWFLSA-N 1 0 355.486 2.122 20 30 FEEDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000331480086 554271283 /nfs/dbraw/zinc/27/12/83/554271283.db2.gz JKTCDFSOASWRFK-YGRLFVJLSA-N 1 0 373.400 2.338 20 30 FEEDRO C=CC1CC[NH+]([C@@H](C)C(=O)NC(=O)Nc2ccc3c(c2)OCCO3)CC1 ZINC000331635233 554299259 /nfs/dbraw/zinc/29/92/59/554299259.db2.gz TUYJTROHDZVVIZ-ZDUSSCGKSA-N 1 0 359.426 2.392 20 30 FEEDRO CS[C@H]1CN(S(=O)(=O)c2ccc(C#N)cc2C)C[C@H]1[NH+]1CCCC1 ZINC000332085849 554376944 /nfs/dbraw/zinc/37/69/44/554376944.db2.gz QXAJFUMGMOTRDN-CVEARBPZSA-N 1 0 365.524 2.067 20 30 FEEDRO CC(C)(C)c1cc(C#N)c(NC(=O)C(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)s1 ZINC000332108372 554381777 /nfs/dbraw/zinc/38/17/77/554381777.db2.gz SGGDDSXYMKFUEF-WCQYABFASA-N 1 0 360.483 2.066 20 30 FEEDRO N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000332222219 554403737 /nfs/dbraw/zinc/40/37/37/554403737.db2.gz AULPOQYXRLCEMT-KGLIPLIRSA-N 1 0 373.400 2.482 20 30 FEEDRO N#Cc1ccc(N2CCN(C(=O)N[C@@H]3CCC[C@H]([NH3+])C3)CC2)c(Cl)c1 ZINC000332517744 554461048 /nfs/dbraw/zinc/46/10/48/554461048.db2.gz AYDXWMOCRTUVSS-LSDHHAIUSA-N 1 0 361.877 2.313 20 30 FEEDRO C=CC[C@H]1[N@@H+](CC(=O)N2CCN(c3cnccn3)CC2)CCCC1(C)C ZINC000332524679 554462657 /nfs/dbraw/zinc/46/26/57/554462657.db2.gz DLXKXLHLACUILX-QGZVFWFLSA-N 1 0 357.502 2.192 20 30 FEEDRO C[C@@H](C#N)C(=O)NCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000510383556 561832852 /nfs/dbraw/zinc/83/28/52/561832852.db2.gz DSQJVQPJOUTICG-AWEZNQCLSA-N 1 0 368.403 2.493 20 30 FEEDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000510483531 561836085 /nfs/dbraw/zinc/83/60/85/561836085.db2.gz AWHVXMCJQWQMCB-TZMCWYRMSA-N 1 0 353.875 2.459 20 30 FEEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)N[C@H]3CC34CCOCC4)CC2)cc1 ZINC000333189607 554586449 /nfs/dbraw/zinc/58/64/49/554586449.db2.gz NTZRVUZKZXJBCI-IBGZPJMESA-N 1 0 368.481 2.345 20 30 FEEDRO N#Cc1c(F)cccc1-n1ccc(NC(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)n1 ZINC000611600883 554652500 /nfs/dbraw/zinc/65/25/00/554652500.db2.gz ATRAAFHXXWTCPY-CQSZACIVSA-N 1 0 368.416 2.489 20 30 FEEDRO C=CCOC[C@@H]1NC(=O)N([C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1=O ZINC000348512058 554687564 /nfs/dbraw/zinc/68/75/64/554687564.db2.gz NDDHHQMYUGPATG-SZMVWBNQSA-N 1 0 357.454 2.163 20 30 FEEDRO C=CCOC[C@@H]1NC(=O)N(C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)C1=O ZINC000348979454 554706983 /nfs/dbraw/zinc/70/69/83/554706983.db2.gz WVCLFNZZSGOPRK-OALUTQOASA-N 1 0 371.481 2.412 20 30 FEEDRO N#CCCN(C(=O)CN1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1)c1ccccc1 ZINC000360925872 554895165 /nfs/dbraw/zinc/89/51/65/554895165.db2.gz HQHKOEAWDBZGNQ-MISYRCLQSA-N 1 0 352.482 2.349 20 30 FEEDRO C=CCOCCNC(=O)NCC1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000361106280 554904602 /nfs/dbraw/zinc/90/46/02/554904602.db2.gz NRPFIHLLNBAKSX-UHFFFAOYSA-N 1 0 361.486 2.409 20 30 FEEDRO CCc1nc(CN2CCC[C@H]([N@H+](C)CCOc3cccc(C#N)c3)C2)no1 ZINC000363077240 555025088 /nfs/dbraw/zinc/02/50/88/555025088.db2.gz KLTUETFDJWLTEU-KRWDZBQOSA-N 1 0 369.469 2.479 20 30 FEEDRO C[C@@H]([NH2+]C(C)(C)CNC(=O)N1CCN(C2CC2)[C@H](C#N)C1)c1ccccc1 ZINC000363129239 555036887 /nfs/dbraw/zinc/03/68/87/555036887.db2.gz DEZVTDFJVBOFOH-VQIMIIECSA-N 1 0 369.513 2.498 20 30 FEEDRO C[C@@H]1C[C@H](C)C[N@H+](C2CCN(S(=O)(=O)c3ccc(C#N)nc3)CC2)C1 ZINC000363207162 555053659 /nfs/dbraw/zinc/05/36/59/555053659.db2.gz YDDALHOYCTYZBC-GASCZTMLSA-N 1 0 362.499 2.084 20 30 FEEDRO C#Cc1cccc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](C)[C@@H]2c2cccs2)c1 ZINC000363250081 555063475 /nfs/dbraw/zinc/06/34/75/555063475.db2.gz ISJXMYASEGCKLY-YJBOKZPZSA-N 1 0 367.474 2.477 20 30 FEEDRO CCC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1CC(=O)NC1(C#N)CCCCC1 ZINC000363473444 555114599 /nfs/dbraw/zinc/11/45/99/555114599.db2.gz BKTOSQJHMDNWMN-IAGOWNOFSA-N 1 0 360.502 2.194 20 30 FEEDRO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@H](C(=O)N2CCCCCC2)C1 ZINC000363481378 555116616 /nfs/dbraw/zinc/11/66/16/555116616.db2.gz IWPXWNBCNMUBOL-PXNSSMCTSA-N 1 0 362.518 2.155 20 30 FEEDRO CC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCCN(c2nc(C)ccc2C#N)C1 ZINC000363587953 555142505 /nfs/dbraw/zinc/14/25/05/555142505.db2.gz FKLMMNPFIGIEAV-SJLPKXTDSA-N 1 0 357.502 2.325 20 30 FEEDRO C=CCN(C[C@@H](O)COC1CCOCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000363629734 555150482 /nfs/dbraw/zinc/15/04/82/555150482.db2.gz FIKCLUSUWCPZEL-LEWJYISDSA-N 1 0 374.525 2.305 20 30 FEEDRO N#Cc1ccc(N2CCC[N@@H+]([C@H](Cc3ccc(F)cc3)C(N)=O)CC2)cc1 ZINC000363668322 555160176 /nfs/dbraw/zinc/16/01/76/555160176.db2.gz DLTJZHVLWMBFIV-HXUWFJFHSA-N 1 0 366.440 2.306 20 30 FEEDRO C[C@@H]1C[C@H](N(C)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CC[N@@H+]1C ZINC000363716435 555170648 /nfs/dbraw/zinc/17/06/48/555170648.db2.gz RPILFCVJTAAFNF-UKRRQHHQSA-N 1 0 370.432 2.829 20 30 FEEDRO C=CCCS(=O)(=O)NCC1CCN(Cc2csc(CC)n2)CC1 ZINC000363827541 555194920 /nfs/dbraw/zinc/19/49/20/555194920.db2.gz PSIAPQZYZMMKDM-UHFFFAOYSA-N 1 0 357.545 2.413 20 30 FEEDRO C[C@H]1C[N@@H+](C2CCN(C(=O)C3(c4cc(F)cc(C#N)c4)CC3)CC2)CCO1 ZINC000512135321 561893555 /nfs/dbraw/zinc/89/35/55/561893555.db2.gz IHNLBSWNBDHQIJ-HNNXBMFYSA-N 1 0 371.456 2.441 20 30 FEEDRO Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N(C)CCCC[NH+](C)C ZINC000615549403 555211949 /nfs/dbraw/zinc/21/19/49/555211949.db2.gz JPXZGJZWUSESFE-UHFFFAOYSA-N 1 0 355.446 2.253 20 30 FEEDRO C=CCNC(=O)NC(=O)C[NH2+][C@@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000512202410 561895904 /nfs/dbraw/zinc/89/59/04/561895904.db2.gz JZYKHSGTQFYWAJ-ZDUSSCGKSA-N 1 0 360.241 2.018 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@@H]1CC(=O)N2CCCC[C@@H]12)C(C)C ZINC000512392991 561902947 /nfs/dbraw/zinc/90/29/47/561902947.db2.gz MWYWXZKSPHCTEM-FGTMMUONSA-N 1 0 362.518 2.138 20 30 FEEDRO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1NC(=O)c1ccccc1OCC#N ZINC000364567251 555340342 /nfs/dbraw/zinc/34/03/42/555340342.db2.gz ZDODKZJDXZUHIH-RYRKJORJSA-N 1 0 357.454 2.208 20 30 FEEDRO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000512506055 561907902 /nfs/dbraw/zinc/90/79/02/561907902.db2.gz GNPAXZDTDAKJOZ-MRXNPFEDSA-N 1 0 354.520 2.124 20 30 FEEDRO CN1CC[NH+](CC2(C)CCN(c3cc(C#N)ccc3[N+](=O)[O-])CC2)CC1 ZINC000364917188 555436995 /nfs/dbraw/zinc/43/69/95/555436995.db2.gz SCTMLJGGJMHVKK-UHFFFAOYSA-N 1 0 357.458 2.320 20 30 FEEDRO C=CCOc1ccc(/C=C/C(=O)N2CCC[N@@H+]([C@@H](C)CO)CC2)cc1OC ZINC000364930017 555440799 /nfs/dbraw/zinc/44/07/99/555440799.db2.gz CUWIFKWKRWEGLI-LKUPDRCFSA-N 1 0 374.481 2.188 20 30 FEEDRO N#Cc1ncn(CC[NH2+]Cc2cc(Cl)ccc2OC[C@H]2CCCO2)n1 ZINC000512892697 561919079 /nfs/dbraw/zinc/91/90/79/561919079.db2.gz XMCOMGNSTVKTKS-OAHLLOKOSA-N 1 0 361.833 2.151 20 30 FEEDRO N#CCCN(C(=O)CCC(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000365155292 555496921 /nfs/dbraw/zinc/49/69/21/555496921.db2.gz YBEIZUWUZVZPDX-PKOBYXMFSA-N 1 0 368.481 2.456 20 30 FEEDRO CS(=O)(=O)N1CCCC[C@H]1C[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000512984012 561921742 /nfs/dbraw/zinc/92/17/42/561921742.db2.gz ZUMAZLVQTCUHHC-KRWDZBQOSA-N 1 0 365.499 2.273 20 30 FEEDRO CS(=O)(=O)N1CCCC[C@@H]1C[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000512984013 561921781 /nfs/dbraw/zinc/92/17/81/561921781.db2.gz ZUMAZLVQTCUHHC-QGZVFWFLSA-N 1 0 365.499 2.273 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000513484450 561940379 /nfs/dbraw/zinc/94/03/79/561940379.db2.gz NRXGDZIAXJTUPS-CQSZACIVSA-N 1 0 351.516 2.355 20 30 FEEDRO C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000366064390 555741129 /nfs/dbraw/zinc/74/11/29/555741129.db2.gz ALUKUTRFVSUURE-IEBWSBKVSA-N 1 0 372.538 2.445 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N2C[C@@H](CC)O[C@@]3(CCCOC3)C2)CC1 ZINC000366303423 555806802 /nfs/dbraw/zinc/80/68/02/555806802.db2.gz GGRZDYWGLHEVEN-MJGOQNOKSA-N 1 0 351.491 2.006 20 30 FEEDRO C[NH+]1CCN(Cc2cccc(C(=O)NCC#Cc3cccc(F)c3)c2)CC1 ZINC000513919429 561954682 /nfs/dbraw/zinc/95/46/82/561954682.db2.gz ZAZDFLYSYSWKKW-UHFFFAOYSA-N 1 0 365.452 2.355 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CC(C)(C)O[C@@]3(CCCOC3)C2)CC1 ZINC000366732516 555920809 /nfs/dbraw/zinc/92/08/09/555920809.db2.gz XAIRFEKTBHWNHN-FQEVSTJZSA-N 1 0 365.518 2.397 20 30 FEEDRO CN1C(=O)C[C@H]([NH2+]CC(=O)Nc2ccc(C#N)cc2)[C@H]1c1ccc(F)cc1 ZINC000366808573 555939439 /nfs/dbraw/zinc/93/94/39/555939439.db2.gz JKXRETALVGQKDP-FXAWDEMLSA-N 1 0 366.396 2.197 20 30 FEEDRO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[NH2+][C@H]2CCC(=O)NC23CCC3)cc1 ZINC000367251479 556004032 /nfs/dbraw/zinc/00/40/32/556004032.db2.gz GDJVAAVPDLYHTB-AEFFLSMTSA-N 1 0 368.481 2.421 20 30 FEEDRO COc1cccc([C@@H]2[C@@H]([NH2+]CCC(=O)N(C)CCC#N)CCN2C2CC2)c1 ZINC000367252096 556004049 /nfs/dbraw/zinc/00/40/49/556004049.db2.gz LBAKZAGQHNGXLH-PZJWPPBQSA-N 1 0 370.497 2.325 20 30 FEEDRO CN(C(=O)c1cc(C#N)ccc1Cl)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000367586397 556090016 /nfs/dbraw/zinc/09/00/16/556090016.db2.gz OVQRFJRWESIMTF-MRXNPFEDSA-N 1 0 360.889 2.452 20 30 FEEDRO C[NH+]1CCC(n2ccc(=NC(=O)C(C)(C)c3cc(F)cc(C#N)c3)[nH]2)CC1 ZINC000367672394 556111009 /nfs/dbraw/zinc/11/10/09/556111009.db2.gz JOOYPSRIUINVFD-UHFFFAOYSA-N 1 0 369.444 3.077 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)c(Cl)c1 ZINC000368107746 556221130 /nfs/dbraw/zinc/22/11/30/556221130.db2.gz HBHZAIQSJOSKJC-AWEZNQCLSA-N 1 0 353.875 2.222 20 30 FEEDRO N#Cc1cc(NC[C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)cc(N)c1[N+](=O)[O-] ZINC000368547147 556341542 /nfs/dbraw/zinc/34/15/42/556341542.db2.gz ZYXZAMLETIILLY-SJORKVTESA-N 1 0 367.409 2.096 20 30 FEEDRO C[C@@H]1CN(C(=O)C2(c3ccc(C#N)cc3)CC2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000368712195 556394904 /nfs/dbraw/zinc/39/49/04/556394904.db2.gz LAYWTGCQDYERGP-XLIONFOSSA-N 1 0 366.509 2.074 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)[C@H]2C[C@]23CCN(C(=O)OC(C)(C)C)C3)CC1 ZINC000368724132 556398242 /nfs/dbraw/zinc/39/82/42/556398242.db2.gz HZNUJGSCGZURHH-UZLBHIALSA-N 1 0 363.502 2.400 20 30 FEEDRO CNC(=O)CN1CCC[N@H+](Cc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC000368828010 556424230 /nfs/dbraw/zinc/42/42/30/556424230.db2.gz CPTMJXXRHACOLD-UHFFFAOYSA-N 1 0 362.477 2.479 20 30 FEEDRO CN1CC[NH+](CCC2CCN(C(=O)CCc3ccc(C#N)cc3)CC2)CC1 ZINC000368846700 556428343 /nfs/dbraw/zinc/42/83/43/556428343.db2.gz WGKXWFUTMVWBAR-UHFFFAOYSA-N 1 0 368.525 2.367 20 30 FEEDRO C[C@@H](CO)[N@@H+]1CCCN(Cc2ccc(C#N)cc2Br)CC1 ZINC000368966904 556461432 /nfs/dbraw/zinc/46/14/32/556461432.db2.gz SLHGNTGLTSYRQQ-ZDUSSCGKSA-N 1 0 352.276 2.209 20 30 FEEDRO N#Cc1ccccc1N1CCN(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000368884086 556438672 /nfs/dbraw/zinc/43/86/72/556438672.db2.gz NYZDTHWUPSVLOY-MSOLQXFVSA-N 1 0 353.470 2.017 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)NCCC[NH+]2CCCC2)c(C(F)(F)F)c1 ZINC000515726523 562020439 /nfs/dbraw/zinc/02/04/39/562020439.db2.gz BELDVLBGWQQHOC-UHFFFAOYSA-N 1 0 361.389 2.341 20 30 FEEDRO COc1ccc(CNC[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc1OCCCC#N ZINC000369037127 556484314 /nfs/dbraw/zinc/48/43/14/556484314.db2.gz VEFFQLLLJRLZJY-ROUUACIJSA-N 1 0 359.470 2.331 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N[C@H]2CCN(c3ccc(F)cc3F)C2)CC1 ZINC000369073771 556497844 /nfs/dbraw/zinc/49/78/44/556497844.db2.gz JISMKCISGXYEFG-INIZCTEOSA-N 1 0 364.440 2.493 20 30 FEEDRO COc1ccnc(N2CCC[N@H+](CCCC3(C#N)CCOCC3)CC2)n1 ZINC000369191912 556530728 /nfs/dbraw/zinc/53/07/28/556530728.db2.gz CNPLLBBCPBFFOU-UHFFFAOYSA-N 1 0 359.474 2.098 20 30 FEEDRO N#CC1(c2ccccn2)CCN(CC(=O)NCCOc2ccccc2)CC1 ZINC000369215636 556537903 /nfs/dbraw/zinc/53/79/03/556537903.db2.gz QTTXYOYMLBXZFJ-UHFFFAOYSA-N 1 0 364.449 2.134 20 30 FEEDRO C=CCc1ccccc1OC[C@H](O)C[NH2+]CCn1c(=O)oc2ccccc21 ZINC000516049153 562028894 /nfs/dbraw/zinc/02/88/94/562028894.db2.gz YBAIUMUDKQEUNT-QGZVFWFLSA-N 1 0 368.433 2.353 20 30 FEEDRO CC[NH+](CC)[C@@H](C(=O)N1CCC(n2cnc(C#N)n2)CC1)c1ccccc1 ZINC000369384357 556586269 /nfs/dbraw/zinc/58/62/69/556586269.db2.gz RHKFJLNVLRZPTF-LJQANCHMSA-N 1 0 366.469 2.396 20 30 FEEDRO Cn1cc([C@@H]2[C@@H](CNC(=O)Nc3ccc(C#N)cc3)CCC[N@@H+]2C)cn1 ZINC000369421570 556596836 /nfs/dbraw/zinc/59/68/36/556596836.db2.gz ORHJPKDQRDXZDC-QAPCUYQASA-N 1 0 352.442 2.496 20 30 FEEDRO C=CC[C@H](C)[C@H](C)[NH2+]C[C@@H]1CCn2ncc(C(=O)N3CCN(C)CC3)c2C1 ZINC000369519194 556618196 /nfs/dbraw/zinc/61/81/96/556618196.db2.gz PIEOZYFNINHHQI-OKZBNKHCSA-N 1 0 373.545 2.023 20 30 FEEDRO C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)[NH+]1CCC(n2cnc(C#N)n2)CC1 ZINC000369731308 556679788 /nfs/dbraw/zinc/67/97/88/556679788.db2.gz UPDCLWHROBUQDI-AIANPOQGSA-N 1 0 358.490 2.116 20 30 FEEDRO C=CC[C@H](CC)NC(=O)N(C)C1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000369751118 556685156 /nfs/dbraw/zinc/68/51/56/556685156.db2.gz UBTYMSVMYAMGNX-INIZCTEOSA-N 1 0 350.507 2.069 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)[C@H]2CCC(=O)N(C)[C@H]2c2cccs2)CC1 ZINC000369755732 556686250 /nfs/dbraw/zinc/68/62/50/556686250.db2.gz ASFZOAQPFVPADF-QFBILLFUSA-N 1 0 373.522 2.262 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)C2=NN(c3cccc(C)c3)C(=O)CC2)CC1 ZINC000369756858 556686757 /nfs/dbraw/zinc/68/67/57/556686757.db2.gz IFLWZRCTNOONTD-UHFFFAOYSA-N 1 0 366.465 2.082 20 30 FEEDRO C[NH+](C)CCn1ccc(=NC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)[nH]1 ZINC000369778189 556692366 /nfs/dbraw/zinc/69/23/66/556692366.db2.gz AOCSXCMPILBXFX-ROUUACIJSA-N 1 0 366.469 2.748 20 30 FEEDRO CCC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCCN(c3nc(C)ccc3C#N)C2)C1 ZINC000369937511 556735728 /nfs/dbraw/zinc/73/57/28/556735728.db2.gz QHKVJQYGOVRGSE-HKUYNNGSSA-N 1 0 369.513 2.326 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)CCCc2nc3ccccc3[nH]2)c1C#N ZINC000516555277 562047731 /nfs/dbraw/zinc/04/77/31/562047731.db2.gz HOVSTXPDVUGIPX-UHFFFAOYSA-N 1 0 365.441 2.271 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)[C@@H]2CCC(=O)N(Cc3ccccc3)C2)CC1 ZINC000370216584 556813632 /nfs/dbraw/zinc/81/36/32/556813632.db2.gz RUIQGYBSIIIAJX-GOSISDBHSA-N 1 0 355.482 2.192 20 30 FEEDRO CN(CCC#N)C[C@H](O)C[NH2+][C@@H]1C[C@H]1c1ccc(Br)c(F)c1 ZINC000516645998 562052493 /nfs/dbraw/zinc/05/24/93/562052493.db2.gz ZXCOBBYZJSWIPU-DVOMOZLQSA-N 1 0 370.266 2.240 20 30 FEEDRO N#Cc1ccc(Cl)c(S(=O)(=O)N2C[C@H]3[C@H](C2)C[N@@H+]2CCCC[C@@H]32)c1 ZINC000370440281 556873686 /nfs/dbraw/zinc/87/36/86/556873686.db2.gz WVDVRRNAKLHDSX-DZKIICNBSA-N 1 0 365.886 2.316 20 30 FEEDRO C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](C)C[N@@H+](CC)CCC)c1 ZINC000516824788 562059390 /nfs/dbraw/zinc/05/93/90/562059390.db2.gz UMLRGIZHAUGNQB-HNNXBMFYSA-N 1 0 367.515 2.001 20 30 FEEDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)C(C)(C)Oc1ccc(C#N)cc1 ZINC000370834586 556984257 /nfs/dbraw/zinc/98/42/57/556984257.db2.gz YDZLROIQVDNFNE-BHIYHBOVSA-N 1 0 371.481 2.426 20 30 FEEDRO C[C@@H]1C[C@H](NC(=O)N(C)CCOCc2ccc(C#N)cc2)C[N@@H+]1C1CC1 ZINC000516991977 562069757 /nfs/dbraw/zinc/06/97/57/562069757.db2.gz DDJOIJHEVVBEOZ-QAPCUYQASA-N 1 0 356.470 2.341 20 30 FEEDRO CC(C)Oc1ccc(NC(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc1C#N ZINC000370910044 557011711 /nfs/dbraw/zinc/01/17/11/557011711.db2.gz YTFFKVPCQDDSSY-IRXDYDNUSA-N 1 0 358.442 2.330 20 30 FEEDRO CN(CCC#N)C[C@H](O)C[NH2+]Cc1ccnc(Oc2ccc(F)cc2)c1 ZINC000517127500 562076653 /nfs/dbraw/zinc/07/66/53/562076653.db2.gz MVIBGGDYIIFHGG-QGZVFWFLSA-N 1 0 358.417 2.309 20 30 FEEDRO C=CCCO[C@H](C)C(=O)NCCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000371094163 557073473 /nfs/dbraw/zinc/07/34/73/557073473.db2.gz OEQPZDADSYLRDV-QGZVFWFLSA-N 1 0 351.535 2.280 20 30 FEEDRO C=CCSCCNC(=O)N1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000371182873 557100161 /nfs/dbraw/zinc/10/01/61/557100161.db2.gz GIWYXXQWXYCUNP-UHFFFAOYSA-N 1 0 354.564 2.106 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]C[C@H](O)COc1cccc(Br)c1 ZINC000517359759 562086852 /nfs/dbraw/zinc/08/68/52/562086852.db2.gz PDNPCEFLWZZBBU-NOLJZWGESA-N 1 0 356.260 2.370 20 30 FEEDRO COc1ccc(CN2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cc1OCCCC#N ZINC000371325383 557146561 /nfs/dbraw/zinc/14/65/61/557146561.db2.gz DMDGGNMUBBRIEI-MOPGFXCFSA-N 1 0 373.497 2.409 20 30 FEEDRO COc1ccnc(N2CCC[N@H+](Cc3ccc(C#N)cc3OC)CC2)n1 ZINC000371353343 557157859 /nfs/dbraw/zinc/15/78/59/557157859.db2.gz NFBLGRLPKBQGFS-UHFFFAOYSA-N 1 0 353.426 2.078 20 30 FEEDRO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+](C)C[C@H]1CCCN1c1cccnn1 ZINC000371549395 557218592 /nfs/dbraw/zinc/21/85/92/557218592.db2.gz SCODVWQOQKFBIN-DOTOQJQBSA-N 1 0 364.453 2.276 20 30 FEEDRO CC(C)(O)C[N@@H+]1CCc2c(cccc2NC(=O)c2ccc(C#N)nc2)C1 ZINC000371719252 557273355 /nfs/dbraw/zinc/27/33/55/557273355.db2.gz MXCGHPHCBZYTPE-UHFFFAOYSA-N 1 0 350.422 2.335 20 30 FEEDRO C=C[C@](C)(CCOC)c1nc(-c2cccc(N3CC[NH+](C)CC3)n2)no1 ZINC000518254782 562107302 /nfs/dbraw/zinc/10/73/02/562107302.db2.gz JUEIRVAZRKBISY-LJQANCHMSA-N 1 0 357.458 2.364 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)Cc2ccc(-n3cccc3)cc2)c1C#N ZINC000518354262 562109309 /nfs/dbraw/zinc/10/93/09/562109309.db2.gz CZVJFKRXDKXRQA-UHFFFAOYSA-N 1 0 362.437 2.405 20 30 FEEDRO COc1cc(C#N)ccc1OCCCC(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000518366213 562109740 /nfs/dbraw/zinc/10/97/40/562109740.db2.gz QMFKEIWHIANWFJ-QGZVFWFLSA-N 1 0 357.454 2.421 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N(C)C2CCN(c3cccnn3)CC2)CC1 ZINC000371955327 557338441 /nfs/dbraw/zinc/33/84/41/557338441.db2.gz YKUPIZWXQBWLPX-UHFFFAOYSA-N 1 0 372.517 2.127 20 30 FEEDRO C=C(C)[C@@H](CC(=O)N1CCN(C2CC[NH+](CCC)CC2)CC1)OCC ZINC000372300644 557433678 /nfs/dbraw/zinc/43/36/78/557433678.db2.gz DJBRWXXWKLVFSN-LJQANCHMSA-N 1 0 351.535 2.376 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)Cc2nnn(-c3ccc(C)cc3)c2C)CC1 ZINC000519275404 562128310 /nfs/dbraw/zinc/12/83/10/562128310.db2.gz LVQCKPMMEXEGHG-UHFFFAOYSA-N 1 0 353.470 2.193 20 30 FEEDRO Cc1cc(NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)nn1-c1cccc(C#N)c1 ZINC000372378218 557455020 /nfs/dbraw/zinc/45/50/20/557455020.db2.gz PVRSQTRDHLEUSL-WMLDXEAASA-N 1 0 366.469 2.999 20 30 FEEDRO C[C@H](C(=O)N1CCCN(c2ncccc2C#N)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000372553505 557502679 /nfs/dbraw/zinc/50/26/79/557502679.db2.gz PYCCJDFMSPOCGW-IXDOHACOSA-N 1 0 355.486 2.253 20 30 FEEDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1N(C)CC(=O)NC1(C#N)CCC1 ZINC000372611016 557520705 /nfs/dbraw/zinc/52/07/05/557520705.db2.gz ONDULZIAZAEOOF-PKOBYXMFSA-N 1 0 354.498 2.391 20 30 FEEDRO COc1cc(C#N)ccc1C[N@@H+]1CCC[C@@H](c2n[nH]cc2C(=O)N(C)C)C1 ZINC000372621625 557523268 /nfs/dbraw/zinc/52/32/68/557523268.db2.gz SJQVXWGXBKZFKX-MRXNPFEDSA-N 1 0 367.453 2.371 20 30 FEEDRO COc1cc(/C=C/C(=O)N2CC[C@H]3CC[N@H+](C)[C@@H]3C2)ccc1OCC#N ZINC000372983803 557603265 /nfs/dbraw/zinc/60/32/65/557603265.db2.gz VIIDAJNOXHERCZ-TZNLOLHFSA-N 1 0 355.438 2.163 20 30 FEEDRO CCc1ccc(NC(=O)[C@H](C)[NH+]2CCC(n3cnc(C#N)n3)CC2)cc1 ZINC000373413709 557689174 /nfs/dbraw/zinc/68/91/74/557689174.db2.gz SIZFRPFFXSBDFT-AWEZNQCLSA-N 1 0 352.442 2.376 20 30 FEEDRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)Nc2ccccc2CC#N)CC1=O ZINC000520426320 562156302 /nfs/dbraw/zinc/15/63/02/562156302.db2.gz FBUFFUUZSMWLNE-DLBZAZTESA-N 1 0 354.454 2.024 20 30 FEEDRO CC[C@H](CNC(=O)[C@@H]1CCC(=O)N1Cc1cccc(C#N)c1)[NH+]1CCCC1 ZINC000373708601 557742783 /nfs/dbraw/zinc/74/27/83/557742783.db2.gz PYFDRCQKYLUVAX-MOPGFXCFSA-N 1 0 368.481 2.040 20 30 FEEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+][C@H]2c3ccccc3CC[C@@H]2CO)c1 ZINC000373817044 557765903 /nfs/dbraw/zinc/76/59/03/557765903.db2.gz WZFJCQZTOQUMFF-YLJYHZDGSA-N 1 0 370.474 2.218 20 30 FEEDRO CN(C)[C@H](C[NH2+]Cc1cnc2c(C#N)cnn2c1)c1c(F)cccc1F ZINC000520584340 562159623 /nfs/dbraw/zinc/15/96/23/562159623.db2.gz UOMRCTSGZKHZRA-MRXNPFEDSA-N 1 0 356.380 2.272 20 30 FEEDRO C=CCN1CC[C@H](N(C)C(=O)N[C@@H]2c3ccccc3CC[C@@H]2[NH+](C)C)C1=O ZINC000373950429 557794879 /nfs/dbraw/zinc/79/48/79/557794879.db2.gz MOZHWFBUOSSNJE-GBESFXJTSA-N 1 0 370.497 2.032 20 30 FEEDRO C=CCN1C(=O)c2ccc(C(=O)NCC[NH+]3[C@H](C)CCC[C@H]3C)cc2C1=O ZINC000520761137 562162967 /nfs/dbraw/zinc/16/29/67/562162967.db2.gz WLEDJWRYCIXWOL-HUUCEWRRSA-N 1 0 369.465 2.461 20 30 FEEDRO CN(C(=O)NCC1(CC#N)CC1)C1CC[NH+](CCc2ccncc2)CC1 ZINC000374041326 557812700 /nfs/dbraw/zinc/81/27/00/557812700.db2.gz STPZDEGXWFMHGN-UHFFFAOYSA-N 1 0 355.486 2.424 20 30 FEEDRO C=CCN1CC[C@H]([NH+]2CCC(C(=O)Nc3ccccc3OC)CC2)C1=O ZINC000374057144 557815212 /nfs/dbraw/zinc/81/52/12/557815212.db2.gz KOERGBWWUKUFAY-KRWDZBQOSA-N 1 0 357.454 2.133 20 30 FEEDRO C[NH+]1CCC(C#N)(NC(=O)COc2ccc(F)cc2Br)CC1 ZINC000520991046 562167073 /nfs/dbraw/zinc/16/70/73/562167073.db2.gz AQSWCHPIPIUZHB-UHFFFAOYSA-N 1 0 370.222 2.071 20 30 FEEDRO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1CCC(C#N)(c2ccccn2)CC1 ZINC000374467379 557887674 /nfs/dbraw/zinc/88/76/74/557887674.db2.gz QIKRCTJMIXCKHS-IBGZPJMESA-N 1 0 370.497 2.259 20 30 FEEDRO N#Cc1cccc(CNC(=O)C[N@@H+]2CC[C@@H](c3ccccc3)[C@@H](CO)C2)c1 ZINC000375685737 558067538 /nfs/dbraw/zinc/06/75/38/558067538.db2.gz UKLYHTBTGVGQJY-RTWAWAEBSA-N 1 0 363.461 2.272 20 30 FEEDRO Cc1c(C(=O)N(CCC#N)CCC[NH+](C)C)nnn1-c1cccc(C)c1 ZINC000521463649 562177083 /nfs/dbraw/zinc/17/70/83/562177083.db2.gz JOPBOTWPDKZSGR-UHFFFAOYSA-N 1 0 354.458 2.192 20 30 FEEDRO COc1ccnc(NC2CC[NH+](CCCC3(C#N)CCOCC3)CC2)n1 ZINC000375705601 558070356 /nfs/dbraw/zinc/07/03/56/558070356.db2.gz QRRMBMPPVDYNLU-UHFFFAOYSA-N 1 0 359.474 2.462 20 30 FEEDRO C=CCN([C@@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)c1c(C)cnn1C ZINC000375712219 558071357 /nfs/dbraw/zinc/07/13/57/558071357.db2.gz VSGZJGOMQZVXDF-GOSISDBHSA-N 1 0 374.510 2.180 20 30 FEEDRO N#Cc1cc(C(=O)NC[C@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)ccc1F ZINC000376068925 558122469 /nfs/dbraw/zinc/12/24/69/558122469.db2.gz QKKYKJBCJAFVMK-QZTJIDSGSA-N 1 0 353.397 2.063 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N2C[C@H](C)O[C@]3(CCO[C@@H](C)C3)C2)CC1 ZINC000376112085 558128467 /nfs/dbraw/zinc/12/84/67/558128467.db2.gz JNPXXNUEKMWLNZ-BXWFABGCSA-N 1 0 351.491 2.005 20 30 FEEDRO C[C@@H]1CC(CNC2=[NH+]C[C@@H]3CN(C(=O)OC(C)(C)C)CCN23)C[C@@H](C)O1 ZINC000376126111 558130359 /nfs/dbraw/zinc/13/03/59/558130359.db2.gz AQFIQSZOKNZBDF-IIAWOOMASA-N 1 0 366.506 2.071 20 30 FEEDRO C[N@H+](C[C@@H]1CC12CCN(C(=O)C(=O)Nc1ccc(C#N)cc1)CC2)C1CC1 ZINC000376210376 558141334 /nfs/dbraw/zinc/14/13/34/558141334.db2.gz JZSLRNWDCUMGDS-INIZCTEOSA-N 1 0 366.465 2.220 20 30 FEEDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1cccc(Cl)c1C#N ZINC000376349635 558161417 /nfs/dbraw/zinc/16/14/17/558161417.db2.gz JCOSBSVMSZBBQC-SWLSCSKDSA-N 1 0 353.875 2.459 20 30 FEEDRO CCN(C[C@@H](C)C#N)S(=O)(=O)NC1CC[NH+](C2CCC(C)CC2)CC1 ZINC000376383903 558166156 /nfs/dbraw/zinc/16/61/56/558166156.db2.gz HEBOPGOWVVLFPB-PQUAAJSLSA-N 1 0 370.563 2.345 20 30 FEEDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000376572447 558192405 /nfs/dbraw/zinc/19/24/05/558192405.db2.gz GQOPIYFKHUSLNC-RHSMWYFYSA-N 1 0 365.441 2.229 20 30 FEEDRO CCCN(CC[NH+]1CCCC1)C(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000376575677 558192675 /nfs/dbraw/zinc/19/26/75/558192675.db2.gz WIFFQNDYNDWSPJ-UHFFFAOYSA-N 1 0 367.457 2.479 20 30 FEEDRO C=CCCO[C@H](C)C(=O)N(Cc1nccn1CC)[C@H]1CC12CC[NH2+]CC2 ZINC000376681213 558207331 /nfs/dbraw/zinc/20/73/31/558207331.db2.gz QHWVDKZJWXAGRH-SJORKVTESA-N 1 0 360.502 2.355 20 30 FEEDRO C=CCN(C(=O)NCCCC(=O)N(C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000376923179 558239900 /nfs/dbraw/zinc/23/99/00/558239900.db2.gz OVUVADDFDXAATC-LJQANCHMSA-N 1 0 372.513 2.327 20 30 FEEDRO C[C@H](NC(=O)N1CCN(C2CC2)[C@H](C#N)C1)[C@H](c1ccccc1)[NH+](C)C ZINC000377266548 558302171 /nfs/dbraw/zinc/30/21/71/558302171.db2.gz QVUCKTHXBFVBAH-KFKAGJAMSA-N 1 0 355.486 2.060 20 30 FEEDRO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[NH2+][C@H]2CCC(=O)N[C@H]2C2CC2)cc1 ZINC000377400563 558333735 /nfs/dbraw/zinc/33/37/35/558333735.db2.gz QEJRDWURJKACEN-QSFXBCCZSA-N 1 0 368.481 2.277 20 30 FEEDRO N#CCOc1ccc(CNC(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)cc1 ZINC000377808967 558424224 /nfs/dbraw/zinc/42/42/24/558424224.db2.gz JPFWUCCHDHOELD-UHOSZYNNSA-N 1 0 354.454 2.215 20 30 FEEDRO N#Cc1cc(Cl)ccc1S(=O)(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000377844182 558433936 /nfs/dbraw/zinc/43/39/36/558433936.db2.gz KIWVYJWUUCBWPH-IMJJTQAJSA-N 1 0 365.886 2.316 20 30 FEEDRO Cc1ncc(C[N@@H+]2CC[C@@H](Nc3nccc(C#N)c3[N+](=O)[O-])[C@H](C)C2)s1 ZINC000378130976 558487847 /nfs/dbraw/zinc/48/78/47/558487847.db2.gz DKTPHEVECQTPLZ-IAQYHMDHSA-N 1 0 372.454 2.949 20 30 FEEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@]2(CCOC)CC[NH2+]C2)cc1 ZINC000378213282 558503845 /nfs/dbraw/zinc/50/38/45/558503845.db2.gz UPZTUUSUOOVRLK-OAQYLSRUSA-N 1 0 371.481 2.456 20 30 FEEDRO N#Cc1c(Cl)cccc1S(=O)(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000378229895 558506942 /nfs/dbraw/zinc/50/69/42/558506942.db2.gz OQBLJRYALAHQEJ-DOMZBBRYSA-N 1 0 353.875 2.364 20 30 FEEDRO C=C(C)CN(CC)C(=O)[C@H](C)N1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000378296927 558522884 /nfs/dbraw/zinc/52/28/84/558522884.db2.gz ZZRBBSDNRVGLCX-CKJXQJPGSA-N 1 0 366.465 2.145 20 30 FEEDRO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000378299971 558523420 /nfs/dbraw/zinc/52/34/20/558523420.db2.gz UFBZZSMHISXWCY-WOJBJXKFSA-N 1 0 371.481 2.251 20 30 FEEDRO CN(CCC#N)c1ccc(CN2CCN([C@@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC000378353363 558536905 /nfs/dbraw/zinc/53/69/05/558536905.db2.gz XJKICZVEDWCTQA-OAQYLSRUSA-N 1 0 355.530 2.248 20 30 FEEDRO N#C[C@H](c1cccs1)N1CCN(C(=O)C[NH+]2CCC3(CC3)CC2)CC1 ZINC000378444945 558559140 /nfs/dbraw/zinc/55/91/40/558559140.db2.gz ZGPLJBNJYUCRIB-MRXNPFEDSA-N 1 0 358.511 2.333 20 30 FEEDRO C[C@@H]1C[C@@H]1N1C[C@@H]([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CC1=O ZINC000378449914 558560211 /nfs/dbraw/zinc/56/02/11/558560211.db2.gz HDSRKEPNSSMZAL-XPGWFJOJSA-N 1 0 352.482 2.122 20 30 FEEDRO Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N3CC[N@@H+](C)C[C@H]3C(C)C)C2)n1 ZINC000408283603 558663925 /nfs/dbraw/zinc/66/39/25/558663925.db2.gz MNIDUTJTCRWLHS-OALUTQOASA-N 1 0 369.513 2.277 20 30 FEEDRO Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)[C@H](C)n1cnc(C#N)n1 ZINC000409661675 558711538 /nfs/dbraw/zinc/71/15/38/558711538.db2.gz DXKZTAUNQQSDRM-AWEZNQCLSA-N 1 0 370.482 2.207 20 30 FEEDRO C[C@H]1CC[N@H+](CCNC(=O)CCC(=O)N(CCC#N)c2ccccc2)C1 ZINC000524775409 562234408 /nfs/dbraw/zinc/23/44/08/562234408.db2.gz GSEUKRDNZJUFQN-KRWDZBQOSA-N 1 0 356.470 2.171 20 30 FEEDRO C=C(C)CN(C)C(=O)C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000410815888 558813588 /nfs/dbraw/zinc/81/35/88/558813588.db2.gz UOSVBHUUQVOQSM-RTBURBONSA-N 1 0 355.482 2.001 20 30 FEEDRO COCC[C@@]1([NH2+]CCC(=O)Nc2ccc(C#N)c(Cl)c2)CCOC1 ZINC000411640937 558934465 /nfs/dbraw/zinc/93/44/65/558934465.db2.gz LEERDWORFHCJRQ-QGZVFWFLSA-N 1 0 351.834 2.325 20 30 FEEDRO C[C@@H](CNC(=O)NC1CCC(Oc2ncccc2C#N)CC1)[N@H+](C)C1CC1 ZINC000525849224 562257241 /nfs/dbraw/zinc/25/72/41/562257241.db2.gz XLUKDLQSXVGGAS-NXVRBGIVSA-N 1 0 371.485 2.425 20 30 FEEDRO N#Cc1cccc(NC(=O)CC[N@@H+]2C[C@@H](c3ccccc3)[C@H](C(N)=O)C2)c1 ZINC000411966090 558996398 /nfs/dbraw/zinc/99/63/98/558996398.db2.gz AXILUIBCSSCNJO-RBUKOAKNSA-N 1 0 362.433 2.088 20 30 FEEDRO Cc1nc(C#N)c(N2CCC(C(=O)NC[C@H]3[N@H+](C)CCCC3(C)C)CC2)o1 ZINC000526029621 562264462 /nfs/dbraw/zinc/26/44/62/562264462.db2.gz JQTMQNVHZYHLDR-QGZVFWFLSA-N 1 0 373.501 2.308 20 30 FEEDRO C[C@H](C(=O)OC(C)(C)C)C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000413258066 559092833 /nfs/dbraw/zinc/09/28/33/559092833.db2.gz DKGAGBGIQAOTEO-HNNXBMFYSA-N 1 0 359.470 2.426 20 30 FEEDRO C=CC[C@@H](Cc1ccccc1)NC(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000413399975 559105104 /nfs/dbraw/zinc/10/51/04/559105104.db2.gz JUGXOXVJHSALFY-IBGZPJMESA-N 1 0 358.530 2.499 20 30 FEEDRO CC(C)(CC[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)S(C)(=O)=O ZINC000414251184 559154291 /nfs/dbraw/zinc/15/42/91/559154291.db2.gz GZTOQPRPQVLXTB-UHFFFAOYSA-N 1 0 363.527 2.326 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)Nc1cc(N)ccc1F)C(C)C ZINC000414698024 559180469 /nfs/dbraw/zinc/18/04/69/559180469.db2.gz RSUHOVOJHQRURB-QGZVFWFLSA-N 1 0 362.449 2.161 20 30 FEEDRO CC[NH2+]Cc1ccccc1NC(=O)C(=O)N[C@H](C)c1ccc(C#N)cc1 ZINC000414702913 559180765 /nfs/dbraw/zinc/18/07/65/559180765.db2.gz VNEMZFXHGFXHTM-CQSZACIVSA-N 1 0 350.422 2.484 20 30 FEEDRO C[C@H](NC(=O)C(=O)Nc1ccc2c(c1F)CC[NH2+]C2)c1ccc(C#N)cc1 ZINC000414703955 559181126 /nfs/dbraw/zinc/18/11/26/559181126.db2.gz VYMHENVUEGZQMM-LBPRGKRZSA-N 1 0 366.396 2.159 20 30 FEEDRO N#Cc1ccccc1Oc1ccc(NC(=O)NC[C@H]2C[NH2+]CCO2)cc1 ZINC000415010467 559200427 /nfs/dbraw/zinc/20/04/27/559200427.db2.gz PFNOYYQEKHJCRW-QGZVFWFLSA-N 1 0 352.394 2.460 20 30 FEEDRO CCOc1ccc(C#N)cc1NC(=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000415028566 559201384 /nfs/dbraw/zinc/20/13/84/559201384.db2.gz YWVGTUNBWKTDOY-OAHLLOKOSA-N 1 0 358.442 2.176 20 30 FEEDRO N#Cc1ccc(Oc2ccc(NC(=O)NC[C@H]3C[NH2+]CCO3)cc2)cc1 ZINC000415048878 559202339 /nfs/dbraw/zinc/20/23/39/559202339.db2.gz XOSTWHNHEAWFRJ-GOSISDBHSA-N 1 0 352.394 2.460 20 30 FEEDRO COC[C@]1(CNC(=O)Nc2cc(C#N)ccc2OC(F)F)CCC[NH2+]1 ZINC000415121177 559206515 /nfs/dbraw/zinc/20/65/15/559206515.db2.gz HNYPBFFWTINRGE-MRXNPFEDSA-N 1 0 354.357 2.050 20 30 FEEDRO C=CC[C@@H]1N(C(=O)C(=O)Nc2cnc3c(c2)C[C@@H]([NH3+])CC3)CCCC1(C)C ZINC000415196201 559213922 /nfs/dbraw/zinc/21/39/22/559213922.db2.gz RDOXYDKFLDYYLZ-YJBOKZPZSA-N 1 0 370.497 2.429 20 30 FEEDRO CCOc1ccc(C#N)cc1NC(=O)C(=O)NCC1([NH3+])CCCCCC1 ZINC000415315908 559223568 /nfs/dbraw/zinc/22/35/68/559223568.db2.gz MPBHVBWKGFUMJA-UHFFFAOYSA-N 1 0 358.442 2.063 20 30 FEEDRO N#Cc1cc(NC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)ccc1Oc1ccccc1 ZINC000415318105 559223863 /nfs/dbraw/zinc/22/38/63/559223863.db2.gz QITDIRWLCXYGJA-MRXNPFEDSA-N 1 0 364.405 2.157 20 30 FEEDRO N#Cc1ccccc1Oc1ccc(NC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)cc1 ZINC000415321425 559223950 /nfs/dbraw/zinc/22/39/50/559223950.db2.gz YGUQNBTZKPSCHD-MRXNPFEDSA-N 1 0 364.405 2.157 20 30 FEEDRO C[NH2+][C@H]1CCCN(C(=O)C(=O)Nc2ccccc2C#Cc2ccccc2)C1 ZINC000415363040 559227831 /nfs/dbraw/zinc/22/78/31/559227831.db2.gz PUUAAOBIVQAXKQ-IBGZPJMESA-N 1 0 361.445 2.235 20 30 FEEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000415369901 559228287 /nfs/dbraw/zinc/22/82/87/559228287.db2.gz MYWIRGDKYIFGAF-HNNXBMFYSA-N 1 0 364.405 2.157 20 30 FEEDRO C[NH2+][C@@H]1CCCN(C(=O)C(=O)Nc2ccccc2SC[C@@H](C)C#N)C1 ZINC000415380747 559229252 /nfs/dbraw/zinc/22/92/52/559229252.db2.gz SZLSBPXLSQNLFH-UONOGXRCSA-N 1 0 360.483 2.087 20 30 FEEDRO C[NH2+]C[C@H](C)CNC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000415413076 559232989 /nfs/dbraw/zinc/23/29/89/559232989.db2.gz IDYAFAYKKOKJAY-AWEZNQCLSA-N 1 0 366.421 2.261 20 30 FEEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000415421289 559233753 /nfs/dbraw/zinc/23/37/53/559233753.db2.gz BZGDRXISKIGMQU-KRWDZBQOSA-N 1 0 372.469 2.308 20 30 FEEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000415427104 559235344 /nfs/dbraw/zinc/23/53/44/559235344.db2.gz BIUKFNNWMHCBKG-ILXRZTDVSA-N 1 0 374.510 2.463 20 30 FEEDRO CC(C)[C@H]([NH3+])CCN(C)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 ZINC000415439144 559237017 /nfs/dbraw/zinc/23/70/17/559237017.db2.gz MOVBJTHOEXDRHV-OAHLLOKOSA-N 1 0 358.421 2.720 20 30 FEEDRO N#Cc1ccc(-n2ccc(NC(=O)N3CCC(C[NH3+])CC3)n2)c(Cl)c1 ZINC000415455560 559239044 /nfs/dbraw/zinc/23/90/44/559239044.db2.gz JUXVIQJDPJNELF-UHFFFAOYSA-N 1 0 358.833 2.600 20 30 FEEDRO N#Cc1cc(NC(=O)C(=O)N2CCC([NH2+]CC3CC3)CC2)ccc1Cl ZINC000415456970 559239122 /nfs/dbraw/zinc/23/91/22/559239122.db2.gz WZPBWLFDXYSFML-UHFFFAOYSA-N 1 0 360.845 2.141 20 30 FEEDRO CCOc1ccc(C#N)cc1NC(=O)C(=O)NCC[NH2+]C1CCCCCC1 ZINC000415458580 559239309 /nfs/dbraw/zinc/23/93/09/559239309.db2.gz UZTRBMXCHVSTSG-UHFFFAOYSA-N 1 0 372.469 2.324 20 30 FEEDRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 ZINC000415467137 559240361 /nfs/dbraw/zinc/24/03/61/559240361.db2.gz VDTAWDWFNANNJO-WCQYABFASA-N 1 0 358.833 2.598 20 30 FEEDRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)C1 ZINC000415470958 559240827 /nfs/dbraw/zinc/24/08/27/559240827.db2.gz ZLIIEDHEJPMSCN-NWDGAFQWSA-N 1 0 358.833 2.598 20 30 FEEDRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N ZINC000415565027 559250280 /nfs/dbraw/zinc/25/02/80/559250280.db2.gz QOBBRYOPELGCLH-RHSMWYFYSA-N 1 0 369.469 2.389 20 30 FEEDRO Cc1cccc(NC(=O)C(=O)N(CCC[NH3+])Cc2ccccc2)c1C#N ZINC000415657953 559258944 /nfs/dbraw/zinc/25/89/44/559258944.db2.gz KUJWEWNWFOHFDM-UHFFFAOYSA-N 1 0 350.422 2.183 20 30 FEEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000415683796 559261438 /nfs/dbraw/zinc/26/14/38/559261438.db2.gz ZVLSMQPOGLDHFT-QGZVFWFLSA-N 1 0 372.469 2.178 20 30 FEEDRO O=C(Nc1cccc(C#Cc2ccccc2)c1)C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000415792836 559271495 /nfs/dbraw/zinc/27/14/95/559271495.db2.gz TXYMXSXNTOKDQX-TZIWHRDSSA-N 1 0 373.456 2.235 20 30 FEEDRO C[C@H]1CCN(C(=O)C(=O)Nc2scc(C(C)(C)C)c2C#N)C[C@H]1C[NH3+] ZINC000415856259 559278896 /nfs/dbraw/zinc/27/88/96/559278896.db2.gz ZMHWCUUCEBRRDL-NWDGAFQWSA-N 1 0 362.499 2.299 20 30 FEEDRO C[C@H](C#N)S(=O)(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000416380342 559308673 /nfs/dbraw/zinc/30/86/73/559308673.db2.gz AEPVGIKDZJWAFY-CYBMUJFWSA-N 1 0 355.891 2.383 20 30 FEEDRO CC[NH+](CC)C[C@H](C)NS(=O)(=O)c1cc(Br)ccc1C#N ZINC000416469274 559315580 /nfs/dbraw/zinc/31/55/80/559315580.db2.gz DAMATLJEOBQXSZ-NSHDSACASA-N 1 0 374.304 2.329 20 30 FEEDRO C[C@]1(CNC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)CCC[NH2+]C1 ZINC000417578702 559367387 /nfs/dbraw/zinc/36/73/87/559367387.db2.gz NZOOQSCCUAVVKI-UZLBHIALSA-N 1 0 373.476 2.355 20 30 FEEDRO C[C@H](CCCC[NH3+])NC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000417577942 559367393 /nfs/dbraw/zinc/36/73/93/559367393.db2.gz MYNVBIOAKKIZNP-ZBFHGGJFSA-N 1 0 361.465 2.483 20 30 FEEDRO C[C@]1(CNC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)CCC[NH2+]C1 ZINC000417578699 559367434 /nfs/dbraw/zinc/36/74/34/559367434.db2.gz NZOOQSCCUAVVKI-JXFKEZNVSA-N 1 0 373.476 2.355 20 30 FEEDRO C=CCC[C@H](NC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)c1ccccc1 ZINC000417910492 559381618 /nfs/dbraw/zinc/38/16/18/559381618.db2.gz JZPPRGUSBJJCTP-ROUUACIJSA-N 1 0 358.486 2.190 20 30 FEEDRO N#Cc1ccc(N2CCN(C(=O)N[C@H](C[NH3+])C3CCCCC3)CC2)c(F)c1 ZINC000418372835 559399435 /nfs/dbraw/zinc/39/94/35/559399435.db2.gz ZDFUKXQNXURMPG-GOSISDBHSA-N 1 0 373.476 2.437 20 30 FEEDRO CN(CCOCc1ccc(C#N)cc1)C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000418456868 559402317 /nfs/dbraw/zinc/40/23/17/559402317.db2.gz UOCOHJLMHGMMAY-LJQANCHMSA-N 1 0 352.438 2.416 20 30 FEEDRO COc1ccc([C@H]2CC[NH2+]C[C@@H]2NC(=O)N2CCC(F)(C#N)CC2)cc1 ZINC000418537557 559405235 /nfs/dbraw/zinc/40/52/35/559405235.db2.gz CYZMHOWRAUWELV-SJORKVTESA-N 1 0 360.433 2.178 20 30 FEEDRO N#Cc1ccccc1N1CCCN(C(=O)NCCC[C@H]2CCC[NH2+]2)CC1 ZINC000418741376 559413453 /nfs/dbraw/zinc/41/34/53/559413453.db2.gz ASZLJQQIPFVIBC-GOSISDBHSA-N 1 0 355.486 2.312 20 30 FEEDRO N#Cc1ccc(OC2CCN(C(=O)N[C@H]3CC[C@@H](C[NH3+])C3)CC2)c(F)c1 ZINC000418787115 559416060 /nfs/dbraw/zinc/41/60/60/559416060.db2.gz JMSZGRNAYFLGTO-HIFRSBDPSA-N 1 0 360.433 2.378 20 30 FEEDRO N#Cc1ccc(N2CCN(C(=O)N[C@@H]3CC[C@@H](C[NH3+])C3)CC2)c(Cl)c1 ZINC000418794319 559416406 /nfs/dbraw/zinc/41/64/06/559416406.db2.gz RGVYHZZTQMUNIF-UKRRQHHQSA-N 1 0 361.877 2.171 20 30 FEEDRO C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000419057654 559426550 /nfs/dbraw/zinc/42/65/50/559426550.db2.gz OOKOXHFOCKATEB-HXUWFJFHSA-N 1 0 363.461 2.210 20 30 FEEDRO CC[NH2+]CCNC(=O)C(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000419200909 559432334 /nfs/dbraw/zinc/43/23/34/559432334.db2.gz FUJXZYPPXBFZOF-OAHLLOKOSA-N 1 0 364.449 2.128 20 30 FEEDRO N#CCC[C@H](NC(=O)C(=O)N1CCC([NH2+]CC2CC2)CC1)c1ccccc1 ZINC000419470185 559444177 /nfs/dbraw/zinc/44/41/77/559444177.db2.gz FKKKUXREBWULLJ-IBGZPJMESA-N 1 0 368.481 2.138 20 30 FEEDRO C=CCC[C@H](NC(=O)C(=O)N[C@@H](C)C[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000419473604 559444282 /nfs/dbraw/zinc/44/42/82/559444282.db2.gz LLPSBHWZWHZUPI-FZMZJTMJSA-N 1 0 357.376 2.292 20 30 FEEDRO C=CCC[C@H](NC(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC000419669925 559452831 /nfs/dbraw/zinc/45/28/31/559452831.db2.gz WAEKOWIUYNSVFU-MANSERQUSA-N 1 0 355.482 2.314 20 30 FEEDRO C=C(C)[C@H](NC(=O)C(=O)NC[C@]1(C)CCC[NH2+]C1)c1ccc(F)c(F)c1 ZINC000419677827 559453433 /nfs/dbraw/zinc/45/34/33/559453433.db2.gz NHFPKVXTCQVRSW-QFBILLFUSA-N 1 0 365.424 2.204 20 30 FEEDRO N#Cc1ccc(CN(C(=O)C(=O)N[C@H](C[NH3+])C2CCCCC2)C2CC2)cc1 ZINC000419962862 559466491 /nfs/dbraw/zinc/46/64/91/559466491.db2.gz HCKNNQOALGRTFT-LJQANCHMSA-N 1 0 368.481 2.073 20 30 FEEDRO C[C@H](CCCC[NH3+])NS(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000420419610 559486852 /nfs/dbraw/zinc/48/68/52/559486852.db2.gz ICUQTFZLGMDJDZ-SNVBAGLBSA-N 1 0 360.277 2.117 20 30 FEEDRO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2C[C@H](CO)C[C@H](C)C2)cc1 ZINC000420936137 559512524 /nfs/dbraw/zinc/51/25/24/559512524.db2.gz KKXKJPJTRALOHB-DLBZAZTESA-N 1 0 359.470 2.282 20 30 FEEDRO C[C@@H]1C[C@@H](CO)C[N@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC000420943008 559513220 /nfs/dbraw/zinc/51/32/20/559513220.db2.gz PKMHLGJVAWUPJP-GDBMZVCRSA-N 1 0 368.399 2.123 20 30 FEEDRO CCOc1ccc(N(CCC#N)C(=O)CN(C)C[C@H]2CCC[N@@H+]2C)cc1 ZINC000421004246 559518728 /nfs/dbraw/zinc/51/87/28/559518728.db2.gz NXPZWQBAMTWGPQ-GOSISDBHSA-N 1 0 358.486 2.358 20 30 FEEDRO C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000421145601 559526550 /nfs/dbraw/zinc/52/65/50/559526550.db2.gz AKBHAFAEOXXCNA-GOSISDBHSA-N 1 0 355.482 2.033 20 30 FEEDRO CCOC(=O)c1c(NC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c(C#N)cn1CC ZINC000421165910 559528026 /nfs/dbraw/zinc/52/80/26/559528026.db2.gz OGPDZLCDISZBMC-CABCVRRESA-N 1 0 373.457 2.305 20 30 FEEDRO CCOC(=O)c1c(NC(=O)NC2(C[NH+](C)C)CCC2)c(C#N)cn1CC ZINC000421172269 559528629 /nfs/dbraw/zinc/52/86/29/559528629.db2.gz JBJGKLRXFPZPQO-UHFFFAOYSA-N 1 0 361.446 2.162 20 30 FEEDRO CCOC(=O)c1c(NC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)c(C#N)cn1CC ZINC000421174911 559528837 /nfs/dbraw/zinc/52/88/37/559528837.db2.gz OYFJBLPSZSBBJR-HNNXBMFYSA-N 1 0 371.441 2.034 20 30 FEEDRO C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000421543602 559544865 /nfs/dbraw/zinc/54/48/65/559544865.db2.gz FECLANZLIBRKJM-IEBWSBKVSA-N 1 0 357.498 2.281 20 30 FEEDRO C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000422325308 559578960 /nfs/dbraw/zinc/57/89/60/559578960.db2.gz YQWIMXJRALSGTG-GUDVDZBRSA-N 1 0 357.498 2.279 20 30 FEEDRO C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000422425971 559587462 /nfs/dbraw/zinc/58/74/62/559587462.db2.gz AKZZSGBYLABSLY-IBGZPJMESA-N 1 0 369.509 2.281 20 30 FEEDRO C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000422529366 559593127 /nfs/dbraw/zinc/59/31/27/559593127.db2.gz OYEGQRNIQOQQSB-ZCNNSNEGSA-N 1 0 369.509 2.233 20 30 FEEDRO C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)NC[C@@H]1CC[N@@H+](CCC)C1 ZINC000422548029 559594396 /nfs/dbraw/zinc/59/43/96/559594396.db2.gz YIGZAQVEZPRFMO-OALUTQOASA-N 1 0 357.498 2.138 20 30 FEEDRO C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)N(C)CCC[NH+]1CCCC1 ZINC000422548475 559594403 /nfs/dbraw/zinc/59/44/03/559594403.db2.gz ZASQDCVIXORGRR-IBGZPJMESA-N 1 0 357.498 2.234 20 30 FEEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)COC2CC[NH2+]CC2)cc1 ZINC000423051564 559616652 /nfs/dbraw/zinc/61/66/52/559616652.db2.gz OMPVDHYIGNVXJJ-UHFFFAOYSA-N 1 0 357.454 2.208 20 30 FEEDRO COc1ccc(Br)cc1CN(C)C(=O)[C@@H]([NH3+])CCCC#N ZINC000424076506 559654051 /nfs/dbraw/zinc/65/40/51/559654051.db2.gz MESJGUKFNYOULA-ZDUSSCGKSA-N 1 0 354.248 2.437 20 30 FEEDRO Cc1ccc(C(=O)NCC(F)(F)F)cc1NC(=O)[C@H]([NH3+])CCCC#N ZINC000424096731 559654613 /nfs/dbraw/zinc/65/46/13/559654613.db2.gz YMSUFSZYSNWPAH-GFCCVEGCSA-N 1 0 356.348 2.247 20 30 FEEDRO C=CCc1cccc(F)c1OCC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000424104791 559654854 /nfs/dbraw/zinc/65/48/54/559654854.db2.gz ULTKNGALAOUNIC-QGZVFWFLSA-N 1 0 364.461 2.406 20 30 FEEDRO N#CCCC[C@H]([NH3+])C(=O)NC1CCN(c2nc3ccccc3s2)CC1 ZINC000424107319 559655091 /nfs/dbraw/zinc/65/50/91/559655091.db2.gz NXJCYWHJRJMPBJ-AWEZNQCLSA-N 1 0 357.483 2.402 20 30 FEEDRO Cc1ccc(NC(=O)NC[C@H]2CCCN(C(=O)[C@H]([NH3+])CCCC#N)C2)cc1 ZINC000424113896 559655163 /nfs/dbraw/zinc/65/51/63/559655163.db2.gz OXDSWPVQDMCHHS-SJLPKXTDSA-N 1 0 371.485 2.376 20 30 FEEDRO COC(=O)[C@@H](CNC(=O)[C@@H]([NH3+])CCCC#N)Cc1cccc2ccccc21 ZINC000424122317 559655499 /nfs/dbraw/zinc/65/54/99/559655499.db2.gz JCXHGUFYVFFRDX-MJGOQNOKSA-N 1 0 367.449 2.309 20 30 FEEDRO CCc1nc(CN2CCC(CNC(=O)[C@@H]([NH3+])CCCC#N)CC2)cs1 ZINC000424141703 559655889 /nfs/dbraw/zinc/65/58/89/559655889.db2.gz HNHRHZXCNQFQRW-INIZCTEOSA-N 1 0 363.531 2.055 20 30 FEEDRO C=CCn1c([C@H]2CCCCO2)nnc1N1CC[NH+](C(C)(C)COC)CC1 ZINC000424143762 559656153 /nfs/dbraw/zinc/65/61/53/559656153.db2.gz RKBFZUXFZHRLCX-MRXNPFEDSA-N 1 0 363.506 2.253 20 30 FEEDRO N#CCCC[C@@H]([NH3+])C(=O)N[C@H]1CCN(c2ccccc2OC(F)F)C1 ZINC000424150861 559656288 /nfs/dbraw/zinc/65/62/88/559656288.db2.gz ZRPXMFNHPBDTQQ-QWHCGFSZSA-N 1 0 352.385 2.004 20 30 FEEDRO CN(CCCc1cc(-c2ccccc2)n(C)n1)C(=O)[C@H]([NH3+])CCCC#N ZINC000424196767 559657301 /nfs/dbraw/zinc/65/73/01/559657301.db2.gz VSQWGELSVGKLNW-GOSISDBHSA-N 1 0 353.470 2.499 20 30 FEEDRO C=CCn1cc(C[NH2+][C@H](C)CCCCN2C(=O)c3ccccc3C2=O)nn1 ZINC000424294754 559660910 /nfs/dbraw/zinc/66/09/10/559660910.db2.gz LKJIVUIJHDRGDZ-OAHLLOKOSA-N 1 0 367.453 2.409 20 30 FEEDRO C=CCCn1cc(C(=O)N2CC[N@H+](Cc3ccccc3)C[C@H](C)C2)nn1 ZINC000424875969 559679055 /nfs/dbraw/zinc/67/90/55/559679055.db2.gz QCWMDIBSCRYKPP-KRWDZBQOSA-N 1 0 353.470 2.448 20 30 FEEDRO C=CCCCN(C)C(=O)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000425384179 559699245 /nfs/dbraw/zinc/69/92/45/559699245.db2.gz JINQQCVVKWRNIZ-RBUKOAKNSA-N 1 0 355.482 2.144 20 30 FEEDRO C=CCn1cc(CNC(=O)NC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)nn1 ZINC000425496590 559705497 /nfs/dbraw/zinc/70/54/97/559705497.db2.gz AZGBJHGOBBHWHA-IBGZPJMESA-N 1 0 368.485 2.174 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)N(C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000425858100 559723015 /nfs/dbraw/zinc/72/30/15/559723015.db2.gz QBXNXRJKBVAGDD-PXNSSMCTSA-N 1 0 372.513 2.321 20 30 FEEDRO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000425860754 559723116 /nfs/dbraw/zinc/72/31/16/559723116.db2.gz HQLVBTMLCUWMPE-KRWDZBQOSA-N 1 0 370.497 2.316 20 30 FEEDRO C=CCc1ccc(OC[C@@H](O)C[NH+]2CCC(O)(C(F)F)CC2)c(OC)c1 ZINC000426265010 559731908 /nfs/dbraw/zinc/73/19/08/559731908.db2.gz SIAIWWMKLDKYPX-HNNXBMFYSA-N 1 0 371.424 2.255 20 30 FEEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1S[C@H](C(N)=O)C(C)C ZINC000427119493 559748248 /nfs/dbraw/zinc/74/82/48/559748248.db2.gz JSECASZGTGCHFI-HNNXBMFYSA-N 1 0 351.520 2.095 20 30 FEEDRO C[NH+](C)CCCOC1CCN(C(=O)c2ncc(C#N)cc2Cl)CC1 ZINC000428044918 559768461 /nfs/dbraw/zinc/76/84/61/559768461.db2.gz VXJMAPJCOJNBGM-UHFFFAOYSA-N 1 0 350.850 2.180 20 30 FEEDRO N#Cc1ccc(C[C@H](C#N)C(=O)Nc2cccc(C[N@H+]3CC[C@@H](O)C3)c2)cc1 ZINC000428549551 559778011 /nfs/dbraw/zinc/77/80/11/559778011.db2.gz QBCMAOGHUXGAAI-TZIWHRDSSA-N 1 0 374.444 2.446 20 30 FEEDRO Cc1cc(C)cc(OC[C@@H](O)C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)c1 ZINC000428779719 559783216 /nfs/dbraw/zinc/78/32/16/559783216.db2.gz CZXNRRVNRRKMHB-RBUKOAKNSA-N 1 0 367.449 2.463 20 30 FEEDRO CCOc1ccc(N(CCC#N)C(=O)CN2CC[C@@]3(CC[N@H+](C)C3)C2)cc1 ZINC000429025395 559789061 /nfs/dbraw/zinc/78/90/61/559789061.db2.gz IFLILPJNDISPLW-OAQYLSRUSA-N 1 0 370.497 2.360 20 30 FEEDRO COc1cc(C[NH2+]CC2(CC#N)CC2)ccc1OCC(=O)N1CCCC1 ZINC000430037031 559811599 /nfs/dbraw/zinc/81/15/99/559811599.db2.gz RHIBAOZVKGQNTI-UHFFFAOYSA-N 1 0 357.454 2.480 20 30 FEEDRO C=CCN1C(=O)c2ccc(C(=O)N3CCC[C@@H]([NH+](C)C)CC3)cc2C1=O ZINC000430431609 559819998 /nfs/dbraw/zinc/81/99/98/559819998.db2.gz NXCQGTWEJLSRIV-OAHLLOKOSA-N 1 0 355.438 2.025 20 30 FEEDRO C[C@H]([NH2+]CC1(CC#N)CC1)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000430742545 559827568 /nfs/dbraw/zinc/82/75/68/559827568.db2.gz PCZCPJIZYWFHDK-HNNXBMFYSA-N 1 0 363.483 2.052 20 30 FEEDRO C[C@@H]([NH2+]CC1(CC#N)CC1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430741382 559827595 /nfs/dbraw/zinc/82/75/95/559827595.db2.gz MEBXZVWLFBFRJS-SNVBAGLBSA-N 1 0 372.288 2.441 20 30 FEEDRO CC[NH+](CC)CC1CCN(C(=O)C(=O)Nc2cccc(C#N)c2C)CC1 ZINC000431978323 559849653 /nfs/dbraw/zinc/84/96/53/559849653.db2.gz WIDPBFDBHAVUOM-UHFFFAOYSA-N 1 0 356.470 2.386 20 30 FEEDRO C=CCc1ccccc1OC[C@@H](O)C[N@@H+](CCO)[C@@H]1CCCSC1 ZINC000433191030 559872942 /nfs/dbraw/zinc/87/29/42/559872942.db2.gz TXUMTWXCETWQAQ-MSOLQXFVSA-N 1 0 351.512 2.345 20 30 FEEDRO CC(C)C(=O)NCCC[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000433332052 559877310 /nfs/dbraw/zinc/87/73/10/559877310.db2.gz RNLKCALLJSHRHS-UHFFFAOYSA-N 1 0 354.458 2.111 20 30 FEEDRO N#C[C@H](CCc1ccccc1)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000433341541 559877374 /nfs/dbraw/zinc/87/73/74/559877374.db2.gz IHMLVTYCMJGWGC-MOPGFXCFSA-N 1 0 355.482 2.376 20 30 FEEDRO N#C[C@@H](CCc1ccccc1)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000433341543 559877381 /nfs/dbraw/zinc/87/73/81/559877381.db2.gz IHMLVTYCMJGWGC-RBUKOAKNSA-N 1 0 355.482 2.376 20 30 FEEDRO CCN1CC[NH+](C[C@@H](C)CNC(=O)[C@@H](C#N)CCc2ccccc2)CC1 ZINC000433358539 559878410 /nfs/dbraw/zinc/87/84/10/559878410.db2.gz BUTBCZNDGPFUQS-AZUAARDMSA-N 1 0 356.514 2.149 20 30 FEEDRO C[NH+](C)Cc1ccc(CNS(=O)(=O)c2ccc(C#N)s2)cc1F ZINC000435435177 559923082 /nfs/dbraw/zinc/92/30/82/559923082.db2.gz XCPZZZZMRKDCBU-UHFFFAOYSA-N 1 0 353.444 2.299 20 30 FEEDRO N#Cc1ccc(CS(=O)(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)c(F)c1 ZINC000528555265 562336001 /nfs/dbraw/zinc/33/60/01/562336001.db2.gz WSIIFHYGVDBHGF-MRXNPFEDSA-N 1 0 351.447 2.134 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCC(C)(C)[NH+]1CCC(OC)CC1 ZINC000437724583 559968547 /nfs/dbraw/zinc/96/85/47/559968547.db2.gz VCSCLVWRAQOFOA-RDJZCZTQSA-N 1 0 353.507 2.156 20 30 FEEDRO C[N@H+](CCCO)C1CCN(Cc2ccc(C#N)cc2OC(F)F)CC1 ZINC000437882065 559971127 /nfs/dbraw/zinc/97/11/27/559971127.db2.gz OMYDCJAWWPWYDS-UHFFFAOYSA-N 1 0 353.413 2.438 20 30 FEEDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)C1(c2cccc(C#N)c2)CC1 ZINC000437956405 559972142 /nfs/dbraw/zinc/97/21/42/559972142.db2.gz OYOYOBZCJAXXIH-QRVBRYPASA-N 1 0 353.466 2.300 20 30 FEEDRO C=C(C)[C@H]1OCC[C@H]1CNC(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000437993346 559972523 /nfs/dbraw/zinc/97/25/23/559972523.db2.gz DKNKMRLWBPTSJZ-PKOBYXMFSA-N 1 0 365.518 2.254 20 30 FEEDRO CCS(=O)(=O)N1CC(C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)C1 ZINC000439135865 559989076 /nfs/dbraw/zinc/98/90/76/559989076.db2.gz PJAAAGFTVMDAKR-UHFFFAOYSA-N 1 0 361.511 2.262 20 30 FEEDRO CN(CCC[NH+]1CCCC1)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 ZINC000439372537 559993107 /nfs/dbraw/zinc/99/31/07/559993107.db2.gz RWVPVKNLCYTZQR-UHFFFAOYSA-N 1 0 370.432 2.833 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2CCC[C@H](CC[NH3+])C2)cc1C(F)(F)F ZINC000440803405 560018503 /nfs/dbraw/zinc/01/85/03/560018503.db2.gz ASCWKFBGSKMZJM-LLVKDONJSA-N 1 0 361.389 2.327 20 30 FEEDRO CCN1C[C@@H](C)N(C(=O)C(=O)Nc2cccc(OCCCC#N)c2)C[C@@H]1C ZINC000441106274 560024155 /nfs/dbraw/zinc/02/41/55/560024155.db2.gz QYIJXIXQHRUFLS-JKSUJKDBSA-N 1 0 372.469 2.249 20 30 FEEDRO O=C(Nc1cccc(C#Cc2ccccc2)c1)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000441994845 560042074 /nfs/dbraw/zinc/04/20/74/560042074.db2.gz XESWNKAAWCUSCO-HXUWFJFHSA-N 1 0 373.456 2.378 20 30 FEEDRO N#C[C@H]1CC[C@@H]([NH2+]Cc2cccc(NC(=O)CCN3CCOCC3)c2)C1 ZINC000442717990 560055159 /nfs/dbraw/zinc/05/51/59/560055159.db2.gz PMPRJTGVCITJKM-FUHWJXTLSA-N 1 0 356.470 2.129 20 30 FEEDRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000443063285 560068660 /nfs/dbraw/zinc/06/86/60/560068660.db2.gz ACWIEYGWDIMNRL-BETUJISGSA-N 1 0 366.443 2.008 20 30 FEEDRO Cc1cc(S(=O)(=O)NCC2([NH+](C)C)Cc3ccccc3C2)ccc1C#N ZINC000443906174 560095600 /nfs/dbraw/zinc/09/56/00/560095600.db2.gz JLWCJBPIVNBAAI-UHFFFAOYSA-N 1 0 369.490 2.244 20 30 FEEDRO Cc1cc(C[NH2+]C[C@@H]2CCCN(c3nccn4cnnc34)C2)ccc1C#N ZINC000443991244 560098488 /nfs/dbraw/zinc/09/84/88/560098488.db2.gz SXGNJDSMTCBVKW-KRWDZBQOSA-N 1 0 361.453 2.311 20 30 FEEDRO CCC[C@@]1(C(=O)OCC)CCC[N@@H+]1C[C@H](O)COc1ccc(C#N)cc1 ZINC000444777935 560120445 /nfs/dbraw/zinc/12/04/45/560120445.db2.gz UGSUFKKEHHWQEE-PXNSSMCTSA-N 1 0 360.454 2.496 20 30 FEEDRO C=CC[C@@H]1[N@H+](CC(=O)NCC(C)(C)N2CCOCC2)CCCC1(C)C ZINC000444781210 560120707 /nfs/dbraw/zinc/12/07/07/560120707.db2.gz GWUDMRXGYFJNST-KRWDZBQOSA-N 1 0 351.535 2.280 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccnn2[C@H](C)CC(C)C)CC1 ZINC000446737221 560150779 /nfs/dbraw/zinc/15/07/79/560150779.db2.gz UQTYHVCEDABALX-OAHLLOKOSA-N 1 0 361.490 2.195 20 30 FEEDRO C=C(C)CN(CC)C(=O)C[N@H+](Cc1ccccc1)C[C@@]1(O)CCO[C@H]1C ZINC000447927403 560173435 /nfs/dbraw/zinc/17/34/35/560173435.db2.gz OZIYTZWVEBLRBI-RXVVDRJESA-N 1 0 360.498 2.453 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N(CCOC)Cc2cncs2)CC1 ZINC000448013173 560175941 /nfs/dbraw/zinc/17/59/41/560175941.db2.gz WEIQHYYQYBYEMP-UHFFFAOYSA-N 1 0 352.504 2.342 20 30 FEEDRO C[NH+](C)[C@H]1CCN(c2ccc(NC(=O)CNc3ccc(C#N)cc3)nc2)C1 ZINC000448445125 560187336 /nfs/dbraw/zinc/18/73/36/560187336.db2.gz GBLYFFMLPHWKGH-SFHVURJKSA-N 1 0 364.453 2.144 20 30 FEEDRO CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C1 ZINC000448763075 560198262 /nfs/dbraw/zinc/19/82/62/560198262.db2.gz MVKMQBGCTQILGQ-UKRRQHHQSA-N 1 0 374.872 2.023 20 30 FEEDRO CCC[NH+]1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1 ZINC000448893407 560205072 /nfs/dbraw/zinc/20/50/72/560205072.db2.gz CRUSRLNCVRPUSY-OAHLLOKOSA-N 1 0 374.872 2.119 20 30 FEEDRO C[C@H](CC[NH+](C)C)NC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 ZINC000448978374 560209961 /nfs/dbraw/zinc/20/99/61/560209961.db2.gz XBTMOAVUTXEBQT-OCCSQVGLSA-N 1 0 362.861 2.021 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1ccc(OCCN2CCOCC2)c(Cl)c1 ZINC000449519036 560232549 /nfs/dbraw/zinc/23/25/49/560232549.db2.gz KXGMYDBXGORGKT-MSOLQXFVSA-N 1 0 366.889 2.484 20 30 FEEDRO C=CCC1(C(=O)N2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)CCCC1 ZINC000449845633 560242263 /nfs/dbraw/zinc/24/22/63/560242263.db2.gz RBZQSSYEAVIAQI-IBGZPJMESA-N 1 0 363.546 2.376 20 30 FEEDRO Cc1[nH]c(C#N)cc1C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000449978124 560246922 /nfs/dbraw/zinc/24/69/22/560246922.db2.gz KTPYMUMIKPDAAP-UHFFFAOYSA-N 1 0 352.438 2.082 20 30 FEEDRO C[C@@H]1[C@@H](NC(=O)COc2ccc(C#N)c(Br)c2)CCC[N@@H+]1C ZINC000450545993 560265619 /nfs/dbraw/zinc/26/56/19/560265619.db2.gz CVVLIVMEWCGXTG-ABAIWWIYSA-N 1 0 366.259 2.298 20 30 FEEDRO CN(C[C@@H]1CCC[N@H+](C)C1)S(=O)(=O)c1ccc(CC#N)cc1Cl ZINC000451203013 560292920 /nfs/dbraw/zinc/29/29/20/560292920.db2.gz OVGOBKUQYLSSCS-CQSZACIVSA-N 1 0 355.891 2.368 20 30 FEEDRO CCN(CCC#N)C(=O)C[NH2+][C@H](CCO)c1cccc(C(F)(F)F)c1 ZINC000451304698 560299215 /nfs/dbraw/zinc/29/92/15/560299215.db2.gz IZLRMKQDVSXMCJ-OAHLLOKOSA-N 1 0 357.376 2.481 20 30 FEEDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNS(=O)(=O)Cc1ccc(F)cc1C#N ZINC000451478206 560309443 /nfs/dbraw/zinc/30/94/43/560309443.db2.gz JMUHHVBSFXBIRG-MRXNPFEDSA-N 1 0 353.463 2.237 20 30 FEEDRO CC[N@@H+]1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)[C@@H](C)C1 ZINC000451678785 560321602 /nfs/dbraw/zinc/32/16/02/560321602.db2.gz NRBIYVODYJRFSZ-ZFWWWQNUSA-N 1 0 374.872 2.117 20 30 FEEDRO CC[C@H]1C[N@H+](CC)CCN1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000451729777 560325065 /nfs/dbraw/zinc/32/50/65/560325065.db2.gz LURWMZPSCXTWJA-KRWDZBQOSA-N 1 0 366.469 2.099 20 30 FEEDRO CC[C@@H]1C[N@H+](CC)CCN1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000451729778 560325159 /nfs/dbraw/zinc/32/51/59/560325159.db2.gz LURWMZPSCXTWJA-QGZVFWFLSA-N 1 0 366.469 2.099 20 30 FEEDRO N#Cc1cccc(OCCCCC(=O)NC[C@@H]2CCCC[N@H+]2CCO)c1 ZINC000452386409 560362343 /nfs/dbraw/zinc/36/23/43/560362343.db2.gz FQCPPGBEQHGNAV-SFHVURJKSA-N 1 0 359.470 2.070 20 30 FEEDRO C=CCn1c(C(=O)NC(CC)CC)nnc1N1CC[NH+]([C@@H](C)CC)CC1 ZINC000453444566 560386811 /nfs/dbraw/zinc/38/68/11/560386811.db2.gz NHAXCENVBBWVJC-HNNXBMFYSA-N 1 0 362.522 2.303 20 30 FEEDRO C=CCNC(=O)C(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1 ZINC000453557734 560388801 /nfs/dbraw/zinc/38/88/01/560388801.db2.gz CGNGMUBEQMRHHV-UHFFFAOYSA-N 1 0 351.834 2.054 20 30 FEEDRO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1cccc(CC#N)c1)c1cccc(F)c1 ZINC000453586268 560389860 /nfs/dbraw/zinc/38/98/60/560389860.db2.gz YCSXECZWJCSAIJ-GOSISDBHSA-N 1 0 368.412 2.249 20 30 FEEDRO Cc1nc(NC(=O)C(=O)NC[C@@H](C(C)C)[NH+]2CCC(C)CC2)ccc1C#N ZINC000453590112 560390085 /nfs/dbraw/zinc/39/00/85/560390085.db2.gz GMNCIECCCOWFRL-KRWDZBQOSA-N 1 0 371.485 2.073 20 30 FEEDRO N#CCc1cccc(NC(=O)C(=O)N2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000453592706 560390149 /nfs/dbraw/zinc/39/01/49/560390149.db2.gz AZOPLFYWUBUAGB-UHFFFAOYSA-N 1 0 354.454 2.026 20 30 FEEDRO C[C@H]1CCC[C@](CNC(=O)C(=O)Nc2cccc(CC#N)c2)([NH+](C)C)C1 ZINC000453600451 560390570 /nfs/dbraw/zinc/39/05/70/560390570.db2.gz FGDHTXIDRWBNJT-YWZLYKJASA-N 1 0 356.470 2.318 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000453726118 560399871 /nfs/dbraw/zinc/39/98/71/560399871.db2.gz DGSHITHWLQKMDA-LZQZEXGQSA-N 1 0 371.481 2.271 20 30 FEEDRO CCCN(CC[NH+]1CCCCC1)C(=O)C(=O)Nc1cccc(CC#N)c1 ZINC000453743757 560401126 /nfs/dbraw/zinc/40/11/26/560401126.db2.gz LKMHMVRMMYDOKG-UHFFFAOYSA-N 1 0 356.470 2.416 20 30 FEEDRO C[C@@H](C#N)CN(C(=O)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)C1CC1 ZINC000453752840 560401663 /nfs/dbraw/zinc/40/16/63/560401663.db2.gz OJKGQKJAVCTBBP-SCLBCKFNSA-N 1 0 354.454 2.325 20 30 FEEDRO C=C(C)CCNC(=O)C(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1C ZINC000453886120 560410774 /nfs/dbraw/zinc/41/07/74/560410774.db2.gz KDXHFZOKIVTUMJ-UHFFFAOYSA-N 1 0 358.486 2.158 20 30 FEEDRO C[NH+](C)CCc1ccccc1NC(=O)C(=O)Nc1cccc(CC#N)c1 ZINC000454006997 560421581 /nfs/dbraw/zinc/42/15/81/560421581.db2.gz AFAXPEAQASOSPD-UHFFFAOYSA-N 1 0 350.422 2.434 20 30 FEEDRO CC1(C)CCC[N@@H+]1CCNC(=O)C(=O)Nc1cccc(OCCCC#N)c1 ZINC000454075841 560427083 /nfs/dbraw/zinc/42/70/83/560427083.db2.gz YWRPSNNYICLHAC-UHFFFAOYSA-N 1 0 372.469 2.298 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N2CCc3c(cccc3C(=O)OC)C2)CC1 ZINC000454537528 560448628 /nfs/dbraw/zinc/44/86/28/560448628.db2.gz HJWGCCJQWIZRLG-UHFFFAOYSA-N 1 0 357.454 2.191 20 30 FEEDRO CC[C@H]1C[N@H+](CC)CCN1C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 ZINC000455104705 560470387 /nfs/dbraw/zinc/47/03/87/560470387.db2.gz PXVUBVZHFFQCFM-HNNXBMFYSA-N 1 0 370.432 2.831 20 30 FEEDRO CC[C@H](C)[NH+]1CCN(C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CC1 ZINC000455103281 560470391 /nfs/dbraw/zinc/47/03/91/560470391.db2.gz ORZILDNCPDAKAL-AWEZNQCLSA-N 1 0 370.432 2.831 20 30 FEEDRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)Nc1cnc(C#N)c(Cl)c1 ZINC000455748323 560493712 /nfs/dbraw/zinc/49/37/12/560493712.db2.gz AAQCGEBZOJWQAO-CYBMUJFWSA-N 1 0 351.838 2.181 20 30 FEEDRO C[NH+](C)CCOc1cnccc1CNC(=O)Nc1cccc(CC#N)c1 ZINC000455901294 560499702 /nfs/dbraw/zinc/49/97/02/560499702.db2.gz DTDDUVIYVOESIV-UHFFFAOYSA-N 1 0 353.426 2.410 20 30 FEEDRO C=CCN1C(=O)c2ccc(C(=O)N3CC[NH+]([C@H](C)CC)CC3)cc2C1=O ZINC000456543997 560523880 /nfs/dbraw/zinc/52/38/80/560523880.db2.gz FWYWLXDLQKNDHI-CQSZACIVSA-N 1 0 355.438 2.025 20 30 FEEDRO C[NH+]1CCN(Cc2cccc(C(=O)NCc3ccc(C#N)c(F)c3)c2)CC1 ZINC000456833210 560534008 /nfs/dbraw/zinc/53/40/08/560534008.db2.gz IENPQMCKDQICBG-UHFFFAOYSA-N 1 0 366.440 2.375 20 30 FEEDRO CC(C)(CC#N)CNC(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000458520907 560629433 /nfs/dbraw/zinc/62/94/33/560629433.db2.gz WWLXGEVSKLWOKI-UHFFFAOYSA-N 1 0 358.486 2.382 20 30 FEEDRO CN(CC(C)(C)C#N)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000458533553 560630461 /nfs/dbraw/zinc/63/04/61/560630461.db2.gz QEBPWKOZSKCEJG-UHFFFAOYSA-N 1 0 350.507 2.460 20 30 FEEDRO CCN(C[C@@H](C)C#N)C(=O)CN1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000459476615 560688776 /nfs/dbraw/zinc/68/87/76/560688776.db2.gz GFTNKRFCHIQQOF-KRWDZBQOSA-N 1 0 365.481 2.365 20 30 FEEDRO CC(C)[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)C1(CO)CCCC1 ZINC000459528833 560692202 /nfs/dbraw/zinc/69/22/02/560692202.db2.gz KBFZDDDWTKCJKI-GOSISDBHSA-N 1 0 364.511 2.499 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000459866745 560714759 /nfs/dbraw/zinc/71/47/59/560714759.db2.gz LGLQFRXIONGSSH-MRXNPFEDSA-N 1 0 361.511 2.350 20 30 FEEDRO C=CCN(CCc1ccccc1)C(=O)C(=O)N(C)C[C@@H]1CCC[N@H+]1CC ZINC000460054686 560731864 /nfs/dbraw/zinc/73/18/64/560731864.db2.gz DNFFNISTFOGRPN-IBGZPJMESA-N 1 0 357.498 2.186 20 30 FEEDRO COC(=O)[C@@H](Nc1cccc(C[N@@H+]2CC[C@H](O)C2)c1)c1cccc(C#N)c1 ZINC000461098376 560761262 /nfs/dbraw/zinc/76/12/62/560761262.db2.gz OVFJCVBGLZARGZ-PMACEKPBSA-N 1 0 365.433 2.451 20 30 FEEDRO C[N@H+](CCNC(=O)N1CC(Oc2ccc(C#N)cc2)C1)Cc1ccccc1 ZINC000462140444 560798895 /nfs/dbraw/zinc/79/88/95/560798895.db2.gz QGNJCVSVOYQGOJ-UHFFFAOYSA-N 1 0 364.449 2.463 20 30 FEEDRO C[C@H](C(=O)NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1)c1cccc(C#N)c1 ZINC000462270433 560803734 /nfs/dbraw/zinc/80/37/34/560803734.db2.gz NSDKBQBDODGHMZ-NDXORKPFSA-N 1 0 363.461 2.413 20 30 FEEDRO Cc1ccc(C#N)cc1S(=O)(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000462317005 560805521 /nfs/dbraw/zinc/80/55/21/560805521.db2.gz BOXKRAPBEVJNIC-UHFFFAOYSA-N 1 0 369.490 2.244 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@H](C(=O)OC)[C@H]1C)C(C)C ZINC000468434048 560929846 /nfs/dbraw/zinc/92/98/46/560929846.db2.gz CHOAOTDYPYMELI-IXDOHACOSA-N 1 0 351.491 2.278 20 30 FEEDRO Cc1cc(F)cc(-n2cc(C(=O)N(CCC#N)CCC[NH+](C)C)nn2)c1 ZINC000468754842 560937854 /nfs/dbraw/zinc/93/78/54/560937854.db2.gz ADBHQLOQBJKFNX-UHFFFAOYSA-N 1 0 358.421 2.022 20 30 FEEDRO COC(=O)[C@@H]1CC[N@H+]([C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)[C@H]1C ZINC000469998123 560971353 /nfs/dbraw/zinc/97/13/53/560971353.db2.gz BSDUPSJCILYUHS-GRDNDAEWSA-N 1 0 361.417 2.344 20 30 FEEDRO CSc1nc(C2CC2)cc(C(=O)N2CCC[N@@H+]([C@@H](C)CO)CC2)c1C#N ZINC000470091675 560974203 /nfs/dbraw/zinc/97/42/03/560974203.db2.gz HYCNZYANEHNUCG-ZDUSSCGKSA-N 1 0 374.510 2.081 20 30 FEEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000470170412 560975937 /nfs/dbraw/zinc/97/59/37/560975937.db2.gz UMZVTXIHFNKFKC-SFHVURJKSA-N 1 0 357.502 2.479 20 30 FEEDRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)[C@H](C)Oc2ccc(C#N)cc2)C1 ZINC000471530787 561006577 /nfs/dbraw/zinc/00/65/77/561006577.db2.gz LYIVOAMAWKLXPC-QFBILLFUSA-N 1 0 359.470 2.285 20 30 FEEDRO Cn1cc(C#N)cc1C(=O)NC1CC[NH+](CCOc2ccc(F)cc2)CC1 ZINC000471561780 561007330 /nfs/dbraw/zinc/00/73/30/561007330.db2.gz CWKKDGNQXZRMOD-UHFFFAOYSA-N 1 0 370.428 2.309 20 30 FEEDRO CCCC[N@H+](C)CCNC(=O)[C@H]1CCCN(c2nc(C)ccc2C#N)C1 ZINC000471957414 561015028 /nfs/dbraw/zinc/01/50/28/561015028.db2.gz UZEXQOTXYOHULS-SFHVURJKSA-N 1 0 357.502 2.326 20 30 FEEDRO C[NH+](C)[C@H](CNS(=O)(=O)c1ccc(F)cc1C#N)C1CCCCC1 ZINC000473911101 561060399 /nfs/dbraw/zinc/06/03/99/561060399.db2.gz NSNTUYIZWJSBQJ-MRXNPFEDSA-N 1 0 353.463 2.486 20 30 FEEDRO CC(C)[C@H](CNC(=O)C[C@@H](CC#N)c1ccccc1)[NH+]1CCN(C)CC1 ZINC000475940575 561108192 /nfs/dbraw/zinc/10/81/92/561108192.db2.gz TWNOKQALLFWYIL-UXHICEINSA-N 1 0 356.514 2.462 20 30 FEEDRO C[C@@H]1C[C@@H](N(C)C(=O)c2cnn(C)c2C#N)CC[N@@H+]1Cc1ccccc1 ZINC000476083186 561111059 /nfs/dbraw/zinc/11/10/59/561111059.db2.gz BEFROPUIJSXZGJ-WBVHZDCISA-N 1 0 351.454 2.417 20 30 FEEDRO C[C@@H](Oc1ccccc1C#N)C(=O)N1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC000476451848 561119808 /nfs/dbraw/zinc/11/98/08/561119808.db2.gz KFAULOVSRBCKLH-SJLPKXTDSA-N 1 0 357.454 2.039 20 30 FEEDRO C[C@H](O)C[N@@H+]1CCN(C(=O)c2cn(CCCC#N)c3ccccc23)[C@@H](C)C1 ZINC000476850720 561130044 /nfs/dbraw/zinc/13/00/44/561130044.db2.gz KBTQVJBMMZHIRC-IRXDYDNUSA-N 1 0 368.481 2.472 20 30 FEEDRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N(Cc1ccc(C#N)cc1)CC(C)C ZINC000477063002 561135669 /nfs/dbraw/zinc/13/56/69/561135669.db2.gz ZFJIQBATWOLWPZ-KRWDZBQOSA-N 1 0 372.513 2.389 20 30 FEEDRO CC1([NH+]2CCOCC2)CCN(C(=O)NCc2ccc(C#N)c(F)c2)CC1 ZINC000527994187 562310765 /nfs/dbraw/zinc/31/07/65/562310765.db2.gz GRATUDCUXRQBMM-UHFFFAOYSA-N 1 0 360.433 2.094 20 30 FEEDRO COc1cc(C#N)ccc1S(=O)(=O)NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000528480154 562331597 /nfs/dbraw/zinc/33/15/97/562331597.db2.gz YAOGJDKQCCINSB-MRXNPFEDSA-N 1 0 363.483 2.252 20 30 FEEDRO N#Cc1ccc(Oc2cccc(NC(=O)NC[C@@H]3COCC[NH2+]3)c2)cc1 ZINC000528676890 562341251 /nfs/dbraw/zinc/34/12/51/562341251.db2.gz AMXCUXYXZBZDQP-MRXNPFEDSA-N 1 0 352.394 2.460 20 30 FEEDRO C=CC[C@H](CO)NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccncc1 ZINC000529025464 562357148 /nfs/dbraw/zinc/35/71/48/562357148.db2.gz JPMQLNVSXPMUEJ-QHAWAJNXSA-N 1 0 365.477 2.350 20 30 FEEDRO C=CC[C@@H](CO)NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccncc1 ZINC000529025463 562357173 /nfs/dbraw/zinc/35/71/73/562357173.db2.gz JPMQLNVSXPMUEJ-PCCBWWKXSA-N 1 0 365.477 2.350 20 30 FEEDRO C[C@H](NC(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1)c1ccc(C#N)cc1 ZINC000529297703 562367899 /nfs/dbraw/zinc/36/78/99/562367899.db2.gz PTCVFWHYYNJINE-HNAYVOBHSA-N 1 0 356.470 2.419 20 30 FEEDRO C[NH+](C)CCOc1ccc(CCNC(=O)Cc2cccc(C#N)c2)cc1 ZINC000530674586 562420189 /nfs/dbraw/zinc/42/01/89/562420189.db2.gz MSSOFHYCXZNOGJ-UHFFFAOYSA-N 1 0 351.450 2.400 20 30 FEEDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)N2CCN(c3ccccc3C#N)CC2)C1 ZINC000531007331 562431615 /nfs/dbraw/zinc/43/16/15/562431615.db2.gz IASAVVGIAMERJT-QGZVFWFLSA-N 1 0 355.486 2.120 20 30 FEEDRO C[NH+](C)C1CCN(c2ccc(NC(=O)c3ccc(C#N)cn3)nc2)CC1 ZINC000531914384 562461077 /nfs/dbraw/zinc/46/10/77/562461077.db2.gz GZRIUTMHJIBDMH-UHFFFAOYSA-N 1 0 350.426 2.131 20 30 FEEDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)c1ccc(C#N)cc1F ZINC000532108378 562467108 /nfs/dbraw/zinc/46/71/08/562467108.db2.gz OVWRRRGQJCDLPV-HZSPNIEDSA-N 1 0 353.463 2.342 20 30 FEEDRO C[NH+](C)C[C@H](O)COc1ccc(NC(=O)c2ccc(CC#N)cc2)cc1 ZINC000534725059 562541186 /nfs/dbraw/zinc/54/11/86/562541186.db2.gz HGYQPAMKAUNJPT-SFHVURJKSA-N 1 0 353.422 2.306 20 30 FEEDRO COC(=O)c1cc2cc(C[N@H+](C)CCCc3[nH]nc(N)c3C#N)ccc2o1 ZINC000534833546 562543496 /nfs/dbraw/zinc/54/34/96/562543496.db2.gz FSXXZRAFIBTQQK-UHFFFAOYSA-N 1 0 367.409 2.461 20 30 FEEDRO COc1cc([C@H](C)[NH2+]CC(=O)N[C@@](C)(C#N)C2CC2)cc(OC)c1OC ZINC000537022125 562584182 /nfs/dbraw/zinc/58/41/82/562584182.db2.gz YZTCBRKYQXGBRM-BUXKBTBVSA-N 1 0 361.442 2.171 20 30 FEEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CC([NH+](C)C)C2)cc1C ZINC000537121582 562586020 /nfs/dbraw/zinc/58/60/20/562586020.db2.gz BFKWAMQSLRDBNZ-UHFFFAOYSA-N 1 0 351.454 2.467 20 30 FEEDRO N#Cc1ccc2ncc(C[NH2+]CCN3CCN(c4ccccc4)CC3)n2c1 ZINC000537211768 562587915 /nfs/dbraw/zinc/58/79/15/562587915.db2.gz XEISDLGZVHOERQ-UHFFFAOYSA-N 1 0 360.465 2.118 20 30 FEEDRO CC[N@@H+](CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1)CC1CC1 ZINC000537249033 562588778 /nfs/dbraw/zinc/58/87/78/562588778.db2.gz OHNWPYILQHBJBB-LJQANCHMSA-N 1 0 358.461 2.266 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)S(=O)(=O)CC1(C#N)CCCC1 ZINC000546093322 562633529 /nfs/dbraw/zinc/63/35/29/562633529.db2.gz ZQNZBVUPFLOZDN-UHFFFAOYSA-N 1 0 374.510 2.336 20 30 FEEDRO C=CCNC(=O)[C@@H](C)Sc1nnc(CC[NH+]2CCCCC2)n1CC=C ZINC000601983796 567896173 /nfs/dbraw/zinc/89/61/73/567896173.db2.gz WAXMWTRPWPYPPS-OAHLLOKOSA-N 1 0 363.531 2.275 20 30 FEEDRO C=C(C)C[C@@H](NC(=O)c1sc2c(c1Br)CNC2)C(=O)OC ZINC000602601056 568000578 /nfs/dbraw/zinc/00/05/78/568000578.db2.gz QOHCDDQBVXFBCT-SECBINFHSA-N 1 0 373.272 2.351 20 30 FEEDRO C[C@@H]1CN(C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C[C@@H](C)N1CC#N ZINC000602852595 568001550 /nfs/dbraw/zinc/00/15/50/568001550.db2.gz DCDZXKHTAJWQQI-SBHAEUEKSA-N 1 0 356.514 2.196 20 30 FEEDRO C[C@@H]1C[N@@H+](C[C@H](O)COCc2ccccc2Cl)C[C@H](C)N1CC#N ZINC000602858180 568002886 /nfs/dbraw/zinc/00/28/86/568002886.db2.gz ZVDSSMHJDPZLQS-UXLLHSPISA-N 1 0 351.878 2.136 20 30 FEEDRO C[C@@H]1C[N@@H+](C[C@H](O)CO[C@H]2CCCc3ccccc32)C[C@H](C)N1CC#N ZINC000602858157 568002896 /nfs/dbraw/zinc/00/28/96/568002896.db2.gz ZPWLDUGLZZRQQO-NZGUISNBSA-N 1 0 357.498 2.360 20 30 FEEDRO COc1ccc(C[C@H](CO)C[NH2+][C@H](C)CC2(C#N)CCOCC2)cc1O ZINC000602661554 568012581 /nfs/dbraw/zinc/01/25/81/568012581.db2.gz FBPGVTSSDDBNSA-WBVHZDCISA-N 1 0 362.470 2.240 20 30 FEEDRO N#Cc1ccc(CNC(=O)C[N@@H+]2CC3(CCC3)[C@H]2C2CCOCC2)cc1 ZINC000568503776 568039753 /nfs/dbraw/zinc/03/97/53/568039753.db2.gz RTOBZBOPKFLKRB-HXUWFJFHSA-N 1 0 353.466 2.456 20 30 FEEDRO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)n1cc([C@H]2CCC[NH2+]C2)nn1 ZINC000603193910 568072448 /nfs/dbraw/zinc/07/24/48/568072448.db2.gz STGQVPAXKVXUQB-IOSXPMGOSA-N 1 0 358.490 2.237 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1ccc(-n2cnnn2)c(C)c1)C(C)C ZINC000603287918 568083065 /nfs/dbraw/zinc/08/30/65/568083065.db2.gz WZVJDIVWMMKHMW-IBGZPJMESA-N 1 0 368.485 2.399 20 30 FEEDRO Cc1cc(NC(=O)C(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)ncc1C#N ZINC000568661667 568109203 /nfs/dbraw/zinc/10/92/03/568109203.db2.gz VWXOQTVTFWQPAA-QGZVFWFLSA-N 1 0 369.469 2.114 20 30 FEEDRO N#Cc1ccc(OC2CCC(NC(=O)NCC[C@H]3CCC[NH2+]3)CC2)nc1 ZINC000569204131 568308450 /nfs/dbraw/zinc/30/84/50/568308450.db2.gz FSDBPRYWSGUKRM-KLAILNCOSA-N 1 0 357.458 2.085 20 30 FEEDRO CC(C)[C@@H](C#N)N1CCN(CC(=O)NCCc2ccc(Cl)cc2)CC1 ZINC000609487014 568346616 /nfs/dbraw/zinc/34/66/16/568346616.db2.gz VFDAGYVDHGWMGC-GOSISDBHSA-N 1 0 362.905 2.164 20 30 FEEDRO CC(C)[N@H+](C)C[C@@H](O)COc1cc(C#N)ccc1I ZINC000569743560 568418001 /nfs/dbraw/zinc/41/80/01/568418001.db2.gz ADQOYYNJIPRKEC-GFCCVEGCSA-N 1 0 374.222 2.243 20 30 FEEDRO C=C(CNC(=O)NC[C@H]1CN(Cc2ccncc2)CCO1)c1ccccc1 ZINC000637147324 568451174 /nfs/dbraw/zinc/45/11/74/568451174.db2.gz JVZLBJLBDFKBHK-FQEVSTJZSA-N 1 0 366.465 2.295 20 30 FEEDRO CC(C)[NH2+]C1(CO)CCN(Cc2ccc(C#N)cc2OC(F)F)CC1 ZINC000570736100 568505478 /nfs/dbraw/zinc/50/54/78/568505478.db2.gz GAIPRPUCRKMBJV-UHFFFAOYSA-N 1 0 353.413 2.485 20 30 FEEDRO C=C(C)CN(CC)C(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000637185245 568534703 /nfs/dbraw/zinc/53/47/03/568534703.db2.gz GTNCMXRALMOLOK-HKUYNNGSSA-N 1 0 357.498 2.295 20 30 FEEDRO C#CCCS(=O)(=O)N(CC[NH+](C)C)Cc1cccc(C(F)(F)F)c1 ZINC000808285817 674450180 /nfs/dbraw/zinc/45/01/80/674450180.db2.gz DNQBHIPBTWDMKF-UHFFFAOYSA-N 1 0 362.417 2.422 20 30 FEEDRO C[C@H](c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000736194870 599309019 /nfs/dbraw/zinc/30/90/19/599309019.db2.gz CRPSPDNSXHVRQB-CQSZACIVSA-N 1 0 360.425 2.017 20 30 FEEDRO N#Cc1ccc(C[NH+]2CCN(c3ccc(F)cc3-c3nn[nH]n3)CC2)cc1 ZINC000822825489 599466160 /nfs/dbraw/zinc/46/61/60/599466160.db2.gz HNCOYMVNFSRIAP-UHFFFAOYSA-N 1 0 363.400 2.200 20 30 FEEDRO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@H](CN(C)S(C)(=O)=O)C2)cc1 ZINC000809688703 674505219 /nfs/dbraw/zinc/50/52/19/674505219.db2.gz OBQFEYJNOJAHNU-NVXWUHKLSA-N 1 0 365.499 2.081 20 30 FEEDRO C#CCCCCC(=O)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000823838633 608290138 /nfs/dbraw/zinc/29/01/38/608290138.db2.gz SCFXZIBXALDQDS-UHFFFAOYSA-N 1 0 366.469 2.095 20 30 FEEDRO COc1cc(C#N)ccc1OCC[NH2+][C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000826176720 608468898 /nfs/dbraw/zinc/46/88/98/608468898.db2.gz AMWWSIFUFOERND-CYBMUJFWSA-N 1 0 364.409 2.477 20 30 FEEDRO C[C@H]([NH2+]CC(=O)Nc1sccc1C#N)c1cccc(-c2nn[nH]n2)c1 ZINC000824564458 608488372 /nfs/dbraw/zinc/48/83/72/608488372.db2.gz TZMNULDISAAIIE-JTQLQIEISA-N 1 0 353.411 2.089 20 30 FEEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(-c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000823850953 609449788 /nfs/dbraw/zinc/44/97/88/609449788.db2.gz WELHTVXCSQOISN-CABCVRRESA-N 1 0 374.448 2.322 20 30 FEEDRO N#CCCCC(=O)OCC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000812614766 674687993 /nfs/dbraw/zinc/68/79/93/674687993.db2.gz WENHCLOUBSXKBJ-UHFFFAOYSA-N 1 0 361.467 2.411 20 30 FEEDRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1 ZINC000563448253 674890341 /nfs/dbraw/zinc/89/03/41/674890341.db2.gz RYKMOASVRRVQOL-ZDUSSCGKSA-N 1 0 362.861 2.387 20 30 FEEDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1S(=O)(=O)Cc1ccc(C#N)cc1F ZINC000563720177 674932945 /nfs/dbraw/zinc/93/29/45/674932945.db2.gz ACVPSAQDYBGMCS-DYVFJYSZSA-N 1 0 351.447 2.086 20 30 FEEDRO C=CCCCCCNC(=O)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000564099175 674973388 /nfs/dbraw/zinc/97/33/88/674973388.db2.gz GQQJMVPAHWZBEX-UHFFFAOYSA-N 1 0 367.559 2.327 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H](C)O ZINC001048570235 675010761 /nfs/dbraw/zinc/01/07/61/675010761.db2.gz IDWIVIFMOKSALQ-QKDSSNGWSA-N 1 0 350.503 2.098 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[C@H](C[NH2+]Cc2cnsn2)CC1 ZINC001048615760 675012227 /nfs/dbraw/zinc/01/22/27/675012227.db2.gz ZQCQCSAVKIUHEU-SRABZTEZSA-N 1 0 364.515 2.141 20 30 FEEDRO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCN1c1snc(C)c1C#N ZINC001049052993 675021610 /nfs/dbraw/zinc/02/16/10/675021610.db2.gz FFTFOPPJFLWNDV-LUYZLQTOSA-N 1 0 361.515 2.137 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3nc(C)sc3C)C[C@@H]2C1 ZINC001049067898 675022208 /nfs/dbraw/zinc/02/22/08/675022208.db2.gz CDOGXZXJLXIXSO-HPFXQQBRSA-N 1 0 361.511 2.241 20 30 FEEDRO N#CCCC[C@H]([NH3+])C(=O)Nc1cc(-c2ccc(Cl)cc2)nn1CCO ZINC000564898033 675073096 /nfs/dbraw/zinc/07/30/96/675073096.db2.gz DHNJNMVBFMXRAD-AWEZNQCLSA-N 1 0 361.833 2.155 20 30 FEEDRO C[C@@H](CC#N)N(C)S(=O)(=O)NC[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000565083507 675093612 /nfs/dbraw/zinc/09/36/12/675093612.db2.gz OFAIGPULWOBLSN-DZGCQCFKSA-N 1 0 372.922 2.054 20 30 FEEDRO CN(CCC#N)C[C@@H](O)C[NH2+][C@H](c1cncc(Br)c1)C1CC1 ZINC000570202436 670677849 /nfs/dbraw/zinc/67/78/49/670677849.db2.gz IUPFOWGZFMWDRM-HOTGVXAUSA-N 1 0 367.291 2.091 20 30 FEEDRO C[NH+](C)[C@H]1CCCN(S(=O)(=O)c2cc(Br)ccc2C#N)C1 ZINC000565530550 675129718 /nfs/dbraw/zinc/12/97/18/675129718.db2.gz VEDIRVNXCTWQLT-ZDUSSCGKSA-N 1 0 372.288 2.035 20 30 FEEDRO CC(C)[C@@H](C[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)c1cccnc1 ZINC000570444597 670715151 /nfs/dbraw/zinc/71/51/51/670715151.db2.gz SLYXXSZBVCCYRP-QGZVFWFLSA-N 1 0 358.467 2.151 20 30 FEEDRO COc1ccc(CNC(=[NH2+])N2CCN(c3ccc(Cl)cc3)CC2)cn1 ZINC000104158877 670790537 /nfs/dbraw/zinc/79/05/37/670790537.db2.gz PYMQRWAKQOUQIQ-UHFFFAOYSA-N 1 0 359.861 2.381 20 30 FEEDRO N#Cc1ccc(-n2ccc(NC(=O)N3CCC[C@@H](C[NH3+])C3)n2)c(Cl)c1 ZINC000571266047 670845176 /nfs/dbraw/zinc/84/51/76/670845176.db2.gz HJFNAQKKWCPSAT-ZDUSSCGKSA-N 1 0 358.833 2.600 20 30 FEEDRO C#CCCOc1ccc(C[NH2+]C2CCN(S(=O)(=O)CCC)CC2)cc1 ZINC000113321640 670883630 /nfs/dbraw/zinc/88/36/30/670883630.db2.gz XTRPKGQOAULHQQ-UHFFFAOYSA-N 1 0 364.511 2.383 20 30 FEEDRO C=CCSCCNC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000571530833 670887831 /nfs/dbraw/zinc/88/78/31/670887831.db2.gz PZXDTLDRXIJJAP-KRWDZBQOSA-N 1 0 367.559 2.136 20 30 FEEDRO C=CCSCCNC(=O)C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000571530834 670887897 /nfs/dbraw/zinc/88/78/97/670887897.db2.gz PZXDTLDRXIJJAP-QGZVFWFLSA-N 1 0 367.559 2.136 20 30 FEEDRO COc1ccccc1OCC[NH2+]CCS(=O)(=O)c1cccc(C#N)c1 ZINC000571659322 670907715 /nfs/dbraw/zinc/90/77/15/670907715.db2.gz SDWJPKQCPKCZOG-UHFFFAOYSA-N 1 0 360.435 2.009 20 30 FEEDRO CC[S@](=O)[C@@H]1CCC[C@H]([NH2+]C[C@H](O)COc2ccc(CC#N)cc2)C1 ZINC000571790320 670925775 /nfs/dbraw/zinc/92/57/75/670925775.db2.gz IZAVLVJDONNWJK-OPHPKWAKSA-N 1 0 364.511 2.162 20 30 FEEDRO Cc1ccc(OCC[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)c(C)c1 ZINC000572799687 671045557 /nfs/dbraw/zinc/04/55/57/671045557.db2.gz WBJMQIVJBGLKJQ-UHFFFAOYSA-N 1 0 359.451 2.012 20 30 FEEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]CCS(=O)(=O)NCc1ccccc1)CC2 ZINC000573131831 671087139 /nfs/dbraw/zinc/08/71/39/671087139.db2.gz CKYFTDYNHDICQF-LJQANCHMSA-N 1 0 355.463 2.255 20 30 FEEDRO CN(CCC#N)C[C@H](O)C[NH2+]Cc1cc2cc(Br)ccc2[nH]1 ZINC000573200416 671093939 /nfs/dbraw/zinc/09/39/39/671093939.db2.gz RJGYNGUXTGGHSX-OAHLLOKOSA-N 1 0 365.275 2.226 20 30 FEEDRO Cc1nc(C[NH2+]C[C@@H]2CNc3c(C#N)cnn3C2)sc1Br ZINC000576346655 671362559 /nfs/dbraw/zinc/36/25/59/671362559.db2.gz SYAIRRLPYPBGNP-SECBINFHSA-N 1 0 367.276 2.114 20 30 FEEDRO N#C[C@@H]1CN(C(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)CCO1 ZINC000609282035 675916975 /nfs/dbraw/zinc/91/69/75/675916975.db2.gz QZJHRPVXAMIUKZ-PBHICJAKSA-N 1 0 362.861 2.411 20 30 FEEDRO CC(C)[C@H]([NH3+])CCN(C)S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000578192410 671647652 /nfs/dbraw/zinc/64/76/52/671647652.db2.gz PGKIAKRTVYWYSO-CQSZACIVSA-N 1 0 374.304 2.315 20 30 FEEDRO N#Cc1ccc(OC[C@@H](O)C[NH2+][C@H]2CCOC3(CCSCC3)C2)cc1 ZINC000580543548 671816799 /nfs/dbraw/zinc/81/67/99/671816799.db2.gz HUUZDDKKVFZWFO-IRXDYDNUSA-N 1 0 362.495 2.332 20 30 FEEDRO CC(C)(C)NC(=[NH2+])NCc1ccc(Br)cc1N1CCOCC1 ZINC000119554812 671902558 /nfs/dbraw/zinc/90/25/58/671902558.db2.gz ZBWIAPNTYUJKRK-UHFFFAOYSA-N 1 0 369.307 2.489 20 30 FEEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]CCNS(=O)(=O)c2cccs2)cc1 ZINC000122219813 671964001 /nfs/dbraw/zinc/96/40/01/671964001.db2.gz TZDDEVRIOUACCK-ZDUSSCGKSA-N 1 0 365.480 2.107 20 30 FEEDRO C=C(Br)CNC(=[NH+]C)N1CCN([C@@H](C)C(F)(F)F)CC1 ZINC000124019002 671989146 /nfs/dbraw/zinc/98/91/46/671989146.db2.gz YTHINDCQJFCYOL-JTQLQIEISA-N 1 0 357.218 2.039 20 30 FEEDRO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@H+](C)CCCNC(=O)OC(C)(C)C ZINC000125198732 672008235 /nfs/dbraw/zinc/00/82/35/672008235.db2.gz VEXCHHGRZIBKND-KBXCAEBGSA-N 1 0 354.495 2.276 20 30 FEEDRO N#Cc1ncc(NC(=O)N2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)cc1Cl ZINC000582833558 672037982 /nfs/dbraw/zinc/03/79/82/672037982.db2.gz HBWHBPJCVDVIGY-ZBFHGGJFSA-N 1 0 363.849 2.357 20 30 FEEDRO CC[NH+]=C(NC[C@@H]1CCCCO1)N1CCN([C@@H](C)C(F)(F)F)CC1 ZINC000128137067 672045661 /nfs/dbraw/zinc/04/56/61/672045661.db2.gz VZOXPRAYQJLHLX-KBPBESRZSA-N 1 0 350.429 2.089 20 30 FEEDRO C[N@H+](CCN1CCN(Cc2nc(C#N)cs2)CC1)Cc1ccccc1 ZINC000583006609 672053817 /nfs/dbraw/zinc/05/38/17/672053817.db2.gz CXZPVXUNCQHCSR-UHFFFAOYSA-N 1 0 355.511 2.264 20 30 FEEDRO CC(C)(C)OC(=O)N1CCN2C(NC[C@]3(C)CCCS3)=[NH+]C[C@@H]2C1 ZINC000129053421 672056621 /nfs/dbraw/zinc/05/66/21/672056621.db2.gz LWAWSQIFKREIJO-DYVFJYSZSA-N 1 0 354.520 2.153 20 30 FEEDRO CN(CCC#N)C(=O)CC[N@H+](C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000131755453 672091345 /nfs/dbraw/zinc/09/13/45/672091345.db2.gz RLFYQEFWUOWKEU-UHFFFAOYSA-N 1 0 352.479 2.080 20 30 FEEDRO C[NH+]=C(NCc1c(C)noc1C)N[C@@H]1CCN(c2ncccc2Cl)C1 ZINC000158954135 672275052 /nfs/dbraw/zinc/27/50/52/672275052.db2.gz YMAUSYUUFLXNKG-CYBMUJFWSA-N 1 0 362.865 2.284 20 30 FEEDRO C#CCCOc1ccc(C[N@H+]2CCCC[C@H]2CCNS(C)(=O)=O)cc1 ZINC000159426732 672281961 /nfs/dbraw/zinc/28/19/61/672281961.db2.gz XRJDVCVJPHQGPI-SFHVURJKSA-N 1 0 364.511 2.383 20 30 FEEDRO COc1cc(CCNC(=[NH2+])N2CCC[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000170909098 672327105 /nfs/dbraw/zinc/32/71/05/672327105.db2.gz ICXJAVHGJZKXGR-GFCCVEGCSA-N 1 0 350.419 2.201 20 30 FEEDRO C#CCSCCNC(=O)N1CCN([C@@H](C)c2cccc(OC)c2)CC1 ZINC000172516428 672342432 /nfs/dbraw/zinc/34/24/32/672342432.db2.gz PWDAHABFVCCXJX-INIZCTEOSA-N 1 0 361.511 2.450 20 30 FEEDRO CC1(C)CN(CCNC(=[NH2+])Nc2ccccc2OC(F)(F)F)CCO1 ZINC000178574469 672392571 /nfs/dbraw/zinc/39/25/71/672392571.db2.gz ZMJIGYUEPZAXJM-UHFFFAOYSA-N 1 0 360.380 2.423 20 30 FEEDRO C[C@@H]([NH2+]CC(=O)Nc1sccc1C#N)c1ccc(-n2cncn2)cc1 ZINC000181528088 672427660 /nfs/dbraw/zinc/42/76/60/672427660.db2.gz OBMRPYAXCHPTPV-GFCCVEGCSA-N 1 0 352.423 2.490 20 30 FEEDRO N#Cc1nc(NCCN2CC[NH+](Cc3ccccc3)CC2)sc1Cl ZINC000590568249 672590356 /nfs/dbraw/zinc/59/03/56/672590356.db2.gz APJSWFVOORNBJD-UHFFFAOYSA-N 1 0 361.902 2.898 20 30 FEEDRO C[NH+](C)C[C@H]1CN(S(=O)(=O)CC(C)(C)CC#N)c2ccccc2O1 ZINC000590749693 672609670 /nfs/dbraw/zinc/60/96/70/672609670.db2.gz HRGBZSACXRXTGB-AWEZNQCLSA-N 1 0 351.472 2.085 20 30 FEEDRO C[C@H](c1ccccc1)[C@@H](CO)[NH2+][C@@H]1CCN(c2sccc2C#N)C1=O ZINC000591029350 672643032 /nfs/dbraw/zinc/64/30/32/672643032.db2.gz JJOLPMQQFITPHX-KBRIMQKVSA-N 1 0 355.463 2.479 20 30 FEEDRO CC(C)[C@@H]1OCCC[C@H]1C[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000591749261 672707427 /nfs/dbraw/zinc/70/74/27/672707427.db2.gz KODVMMIDLPDYIN-WMZOPIPTSA-N 1 0 350.484 2.373 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H]2CCN(CC(F)(F)F)C2)CC1 ZINC000592298857 672783019 /nfs/dbraw/zinc/78/30/19/672783019.db2.gz VBQGCRVVEMUOEO-AWEZNQCLSA-N 1 0 362.440 2.210 20 30 FEEDRO N#Cc1ccsc1NC(=O)CC[NH2+][C@@H]([C@H]1CCCO1)C1(CO)CCC1 ZINC000592432189 672801551 /nfs/dbraw/zinc/80/15/51/672801551.db2.gz KUTZXJCIEXINPZ-ZBFHGGJFSA-N 1 0 363.483 2.248 20 30 FEEDRO C=CCN1C(=S)N=NC1c1sc(NC(=O)C2([NH3+])CCCC2)nc1C ZINC000237665801 672811082 /nfs/dbraw/zinc/81/10/82/672811082.db2.gz YGNMUUKZJQPTCY-UHFFFAOYSA-N 1 0 364.500 2.395 20 30 FEEDRO C[C@@H]1CCCC[N@@H+]1CC(N)=NOCC(=O)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000245471477 672819382 /nfs/dbraw/zinc/81/93/82/672819382.db2.gz OAYZCUVZKQHLSG-IKGGRYGDSA-N 1 0 350.507 2.331 20 30 FEEDRO N#CCCC[C@@H]([NH3+])C(=O)N1CC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000592963289 672859721 /nfs/dbraw/zinc/85/97/21/672859721.db2.gz LCFYRAQOQZJORV-CHWSQXEVSA-N 1 0 356.348 2.101 20 30 FEEDRO CN(C)C(=[NH+]CCOc1ccc(I)cc1)N(C)C ZINC000261839990 672903926 /nfs/dbraw/zinc/90/39/26/672903926.db2.gz QMHYPPSMOAMMCL-UHFFFAOYSA-N 1 0 361.227 2.149 20 30 FEEDRO CCNC(NCc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1)=[NH+]CC ZINC000261942719 672905371 /nfs/dbraw/zinc/90/53/71/672905371.db2.gz DYBKSLILASMRPK-OAHLLOKOSA-N 1 0 366.531 2.182 20 30 FEEDRO CC(C)NS(=O)(=O)CC[NH+]=C(Nc1ccccc1)N1CCCCC1 ZINC000262002054 672907524 /nfs/dbraw/zinc/90/75/24/672907524.db2.gz PZXVUNCNKLOILF-UHFFFAOYSA-N 1 0 352.504 2.268 20 30 FEEDRO CC(C)[C@@H]1C[C@@H](NC(NCC(=O)N(C)C)=[NH+]C2CCCCC2)CCO1 ZINC000262287894 672912725 /nfs/dbraw/zinc/91/27/25/672912725.db2.gz KPUDSMXTGSZJLM-IRXDYDNUSA-N 1 0 352.523 2.146 20 30 FEEDRO C[C@@H](NC(NC[C@@H]1CCS(=O)(=O)C1)=[NH+]C1CC1)c1ccc(F)cc1F ZINC000262447715 672915921 /nfs/dbraw/zinc/91/59/21/672915921.db2.gz VMCSKTMFWUMLBC-NEPJUHHUSA-N 1 0 371.453 2.158 20 30 FEEDRO CC[NH+]=C(NC[C@]1(N(C)C)CCSC1)N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000262788364 672920925 /nfs/dbraw/zinc/92/09/25/672920925.db2.gz NKEKDMAJVZCEPI-WFXMFSGNSA-N 1 0 368.591 2.182 20 30 FEEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)N3C[C@@H]4C[C@H]3CS4)CC2)c1 ZINC000593516352 672931991 /nfs/dbraw/zinc/93/19/91/672931991.db2.gz NXMBKILKBBPOEL-ROUUACIJSA-N 1 0 356.495 2.422 20 30 FEEDRO C[NH+](C)C[C@@H](CNS(=O)(=O)c1ccc(C#N)o1)c1ccc(Cl)cc1 ZINC000593618150 672959337 /nfs/dbraw/zinc/95/93/37/672959337.db2.gz YYQPSIKEDPXLHI-CYBMUJFWSA-N 1 0 367.858 2.428 20 30 FEEDRO CC(C)CCNC(=[NH2+])NCc1ccccc1S(=O)(=O)N1CCCCC1 ZINC000303786316 673017528 /nfs/dbraw/zinc/01/75/28/673017528.db2.gz RERLJSQAVWOGFL-UHFFFAOYSA-N 1 0 366.531 2.312 20 30 FEEDRO [NH2+]=C(NCCc1ccccc1)NCC(=O)Nc1ccc(F)c(F)c1F ZINC000303792172 673017961 /nfs/dbraw/zinc/01/79/61/673017961.db2.gz YEYINEXECOECIK-UHFFFAOYSA-N 1 0 350.344 2.189 20 30 FEEDRO CCOCCCNC(=[NH2+])NCC(=O)Nc1cc(Br)ccc1C ZINC000303987776 673019737 /nfs/dbraw/zinc/01/97/37/673019737.db2.gz VTEIAEWFJFITSK-UHFFFAOYSA-N 1 0 371.279 2.027 20 30 FEEDRO Cc1cnc([C@H](C)CNC(=[NH2+])N2CCN(C(=O)OC(C)(C)C)CC2)s1 ZINC000305805475 673021737 /nfs/dbraw/zinc/02/17/37/673021737.db2.gz GERQFRPHACTETI-GFCCVEGCSA-N 1 0 367.519 2.422 20 30 FEEDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)Nc1nc(CN2CCOCC2)cs1 ZINC000328866219 673068451 /nfs/dbraw/zinc/06/84/51/673068451.db2.gz WPFNQDMRNLGQOK-AWEZNQCLSA-N 1 0 367.519 2.176 20 30 FEEDRO CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)[C@H]([NH3+])CCCCC#N)c1 ZINC000594426812 673070711 /nfs/dbraw/zinc/07/07/11/673070711.db2.gz SDSUJWUOSUSQGX-OAHLLOKOSA-N 1 0 366.487 2.113 20 30 FEEDRO N#CCCCC[C@H]([NH3+])C(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000594441312 673071651 /nfs/dbraw/zinc/07/16/51/673071651.db2.gz QTEZPJXMCOWIGO-AWEZNQCLSA-N 1 0 370.284 2.448 20 30 FEEDRO CN1CC[C@H](NC(=O)[C@H]([NH3+])CCCCC#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000594445834 673072859 /nfs/dbraw/zinc/07/28/59/673072859.db2.gz KYFZGEBVBMWIPH-IKGGRYGDSA-N 1 0 350.413 2.237 20 30 FEEDRO N#CCCCC[C@@H]([NH3+])C(=O)N1CCN(c2nc3ccccc3s2)CC1 ZINC000594445463 673073061 /nfs/dbraw/zinc/07/30/61/673073061.db2.gz GFTQYTREBFDHNX-CQSZACIVSA-N 1 0 357.483 2.356 20 30 FEEDRO N#Cc1ccc(F)c(CS(=O)(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)c1 ZINC000594483473 673087034 /nfs/dbraw/zinc/08/70/34/673087034.db2.gz LJOUMGSRPPIIRK-IRXDYDNUSA-N 1 0 351.447 2.134 20 30 FEEDRO CC(C)(C)[N@@H+]1CC[C@H](CNS(=O)(=O)Cc2cc(C#N)ccc2F)C1 ZINC000594790512 673143254 /nfs/dbraw/zinc/14/32/54/673143254.db2.gz MBXQHXQLQNNISI-CQSZACIVSA-N 1 0 353.463 2.237 20 30 FEEDRO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)C1 ZINC000595072107 673190751 /nfs/dbraw/zinc/19/07/51/673190751.db2.gz FLWIQAOUAIGLLD-LBPRGKRZSA-N 1 0 362.861 2.387 20 30 FEEDRO N#CCCC[C@H]([NH3+])C(=O)N1CCOC[C@H]1c1ccc(Br)cc1 ZINC000595256003 673213969 /nfs/dbraw/zinc/21/39/69/673213969.db2.gz IQRBPDZPWRQPDS-GJZGRUSLSA-N 1 0 366.259 2.370 20 30 FEEDRO CCC[N@@H+]1CC[C@H](NS(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)C1 ZINC000595355870 673231797 /nfs/dbraw/zinc/23/17/97/673231797.db2.gz SDHGOEABHHQRCU-ZDUSSCGKSA-N 1 0 361.389 2.340 20 30 FEEDRO N#Cc1ccc(NC(=O)CC[N@@H+]2CC[C@H](Cn3ccnn3)C2)cc1Cl ZINC000595604778 673272781 /nfs/dbraw/zinc/27/27/81/673272781.db2.gz CUVRLNRLXJQTKC-ZDUSSCGKSA-N 1 0 358.833 2.154 20 30 FEEDRO CC(C)[NH+]1CCN(CCCN2CCN(c3ccsc3C#N)CC2)CC1 ZINC000595629868 673275865 /nfs/dbraw/zinc/27/58/65/673275865.db2.gz OIQFVZRKZOHXSO-UHFFFAOYSA-N 1 0 361.559 2.158 20 30 FEEDRO C[NH+](C)C1CCC(NC(=O)N2CCN(c3ccsc3C#N)CC2)CC1 ZINC000595643059 673277747 /nfs/dbraw/zinc/27/77/47/673277747.db2.gz MAKZEWWLJHOYMJ-UHFFFAOYSA-N 1 0 361.515 2.324 20 30 FEEDRO C=CCCSCCNC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000595724518 673285651 /nfs/dbraw/zinc/28/56/51/673285651.db2.gz MIERDAQZJHDZLR-JWTNVVGKSA-N 1 0 366.575 2.248 20 30 FEEDRO CC1(C)[C@H](O)CC[N@@H+]1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000463220973 673301465 /nfs/dbraw/zinc/30/14/65/673301465.db2.gz RQFJEDOSYQSPQB-OAHLLOKOSA-N 1 0 354.372 2.018 20 30 FEEDRO CC1(C)[C@@H](O)CC[N@@H+]1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000463220971 673301489 /nfs/dbraw/zinc/30/14/89/673301489.db2.gz RQFJEDOSYQSPQB-HNNXBMFYSA-N 1 0 354.372 2.018 20 30 FEEDRO C[C@@H](c1ccccc1)[C@@H](CO)[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000613389984 676127093 /nfs/dbraw/zinc/12/70/93/676127093.db2.gz OMMWELGWFBFQPW-HNAYVOBHSA-N 1 0 358.463 2.086 20 30 FEEDRO C[NH+](C)CCC[C@@H]1CN(C(=O)NCc2ccc(C#N)c(Cl)c2)CCO1 ZINC000596595774 673396452 /nfs/dbraw/zinc/39/64/52/673396452.db2.gz VUMLBTNXDFWJDU-MRXNPFEDSA-N 1 0 364.877 2.464 20 30 FEEDRO CC(C)CCc1nnc(NC(=O)N(CCC#N)CCC[NH+](C)C)s1 ZINC000596963680 673430314 /nfs/dbraw/zinc/43/03/14/673430314.db2.gz HCKOOQHMGNMUBK-UHFFFAOYSA-N 1 0 352.508 2.826 20 30 FEEDRO C[C@H]1CCCC[C@@H]1[NH+]1CCC(N=Nc2ccc(S(N)(=O)=O)cn2)CC1 ZINC000733901811 673443341 /nfs/dbraw/zinc/44/33/41/673443341.db2.gz VQRDSYJWDSYGMM-BBRMVZONSA-N 1 0 365.503 2.171 20 30 FEEDRO N#CC1(c2ccc(C[N@H+]3CCC[C@@H](N4CCCS4(=O)=O)C3)cc2)CC1 ZINC000597116915 673449599 /nfs/dbraw/zinc/44/95/99/673449599.db2.gz RJJYZSCPEATOGD-GOSISDBHSA-N 1 0 359.495 2.242 20 30 FEEDRO C=CCCSCCNC(=O)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000597293550 673464585 /nfs/dbraw/zinc/46/45/85/673464585.db2.gz FYWDVNTUOMEQBE-UHFFFAOYSA-N 1 0 367.559 2.325 20 30 FEEDRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)COc1cccc(Br)c1C#N ZINC000597698659 673500451 /nfs/dbraw/zinc/50/04/51/673500451.db2.gz HDXXLRRCLNEKBX-BXUZGUMPSA-N 1 0 366.259 2.251 20 30 FEEDRO CC[NH+](CC)CCSCC(=O)N1CCN(c2ccsc2C#N)CC1 ZINC000597937105 673521020 /nfs/dbraw/zinc/52/10/20/673521020.db2.gz LAPFGILMSUGJID-UHFFFAOYSA-N 1 0 366.556 2.343 20 30 FEEDRO C=CC[C@H](CO)CNC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000540409207 673537815 /nfs/dbraw/zinc/53/78/15/673537815.db2.gz BBINQMJWZGZEJM-CVEARBPZSA-N 1 0 351.516 2.444 20 30 FEEDRO CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+](C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598596474 673587539 /nfs/dbraw/zinc/58/75/39/673587539.db2.gz SCMJUTNAJRSKNU-KBPBESRZSA-N 1 0 363.424 2.410 20 30 FEEDRO CC(C)(C#N)C[C@H](O)C[NH2+][C@@](C)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000598598271 673587919 /nfs/dbraw/zinc/58/79/19/673587919.db2.gz PDUQKKFMNIBZAQ-XJKSGUPXSA-N 1 0 357.376 2.296 20 30 FEEDRO CC(C)(C#N)C[C@H](O)C[N@@H+]1CCC[C@@H](S(=O)(=O)Nc2ccccc2)C1 ZINC000598601062 673588108 /nfs/dbraw/zinc/58/81/08/673588108.db2.gz DAWXZXPOACVYTB-DLBZAZTESA-N 1 0 365.499 2.193 20 30 FEEDRO CC(C)(C#N)C[C@@H](O)C[NH2+][C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000598724862 673603702 /nfs/dbraw/zinc/60/37/02/673603702.db2.gz RYWJBZQOOKPDMI-DOMZBBRYSA-N 1 0 353.825 2.475 20 30 FEEDRO CC(C)(C#N)C[C@@H](O)C[NH2+]C1CCN(C(=O)c2cc(Cl)c[nH]2)CC1 ZINC000598728417 673603787 /nfs/dbraw/zinc/60/37/87/673603787.db2.gz RXHUIZNRXDHFDF-CQSZACIVSA-N 1 0 352.866 2.163 20 30 FEEDRO N#CCc1ccc(CS(=O)(=O)N2CCCc3cccc(C[NH3+])c32)cc1 ZINC000599102934 673633513 /nfs/dbraw/zinc/63/35/13/673633513.db2.gz RFBKJVHYOQEYPU-UHFFFAOYSA-N 1 0 355.463 2.494 20 30 FEEDRO C[C@@](O)(C1CC[NH+](C[C@@H](O)CC2(C#N)CCOCC2)CC1)C(F)(F)F ZINC000599367003 673664699 /nfs/dbraw/zinc/66/46/99/673664699.db2.gz ZZHGFOPXNJOABE-LSDHHAIUSA-N 1 0 364.408 2.083 20 30 FEEDRO C[C@H]([NH2+]C[C@@H](O)CC1(C#N)CCOCC1)[C@@H]1OCCc2sccc21 ZINC000599426723 673674577 /nfs/dbraw/zinc/67/45/77/673674577.db2.gz OBGQRGOCVLKGPN-ZQIUZPCESA-N 1 0 350.484 2.411 20 30 FEEDRO N#CC[C@@H](O)C[N@@H+]1CC[C@@H](Cc2cccc(I)c2)C1 ZINC000930603121 683758177 /nfs/dbraw/zinc/75/81/77/683758177.db2.gz HSNMFCYEUJLRCS-DZGCQCFKSA-N 1 0 370.234 2.430 20 30 FEEDRO C[NH2+]CCOCCN(C)C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000599603222 673696534 /nfs/dbraw/zinc/69/65/34/673696534.db2.gz CKSISNATMZNYES-UHFFFAOYSA-N 1 0 355.236 2.020 20 30 FEEDRO C[NH+](C)CCCNC(=S)NN=Cc1ccccc1OCC(F)(F)F ZINC000741763549 673696979 /nfs/dbraw/zinc/69/69/79/673696979.db2.gz RQERBGNINGXROX-UHFFFAOYSA-N 1 0 362.421 2.377 20 30 FEEDRO COC[C@]1(C)C[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)CCO1 ZINC000599691439 673707037 /nfs/dbraw/zinc/70/70/37/673707037.db2.gz BWCKPCBWUXXRDG-KRWDZBQOSA-N 1 0 351.834 2.278 20 30 FEEDRO CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)Nc1ccccc1SCCC#N ZINC000599887422 673726379 /nfs/dbraw/zinc/72/63/79/673726379.db2.gz DAFPXYIONDLBBR-OAHLLOKOSA-N 1 0 360.483 2.087 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)c2[nH]nc(C3CC3)c2Br)CC1 ZINC000743491492 673761829 /nfs/dbraw/zinc/76/18/29/673761829.db2.gz INLJJCVYDGKZFH-UHFFFAOYSA-N 1 0 365.275 2.267 20 30 FEEDRO N#CC1(C[C@@H](O)C[NH2+][C@@H]2CCN(c3ccc(Cl)cc3F)C2=O)CC1 ZINC000600754822 673796588 /nfs/dbraw/zinc/79/65/88/673796588.db2.gz CHTAXMCQMDDUAH-TZMCWYRMSA-N 1 0 351.809 2.229 20 30 FEEDRO CC(C)(C#N)C[C@@H](O)C[NH2+]C[C@@H]1CN(c2ccc(Cl)cc2)CCO1 ZINC000600752217 673796666 /nfs/dbraw/zinc/79/66/66/673796666.db2.gz CKRIJRKYHVLQHC-IAGOWNOFSA-N 1 0 351.878 2.436 20 30 FEEDRO N#CCc1ccccc1S(=O)(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000601376658 673851521 /nfs/dbraw/zinc/85/15/21/673851521.db2.gz NMOQYQPZJIVRAJ-WMZOPIPTSA-N 1 0 359.495 2.390 20 30 FEEDRO Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CC[C@H]([NH+]2CCCC2)[C@@H]1C ZINC000601415018 673858332 /nfs/dbraw/zinc/85/83/32/673858332.db2.gz PGYUEHNCLGRZFP-BBRMVZONSA-N 1 0 351.447 2.253 20 30 FEEDRO Cc1cc(F)cc(C#N)c1S(=O)(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000601415287 673858806 /nfs/dbraw/zinc/85/88/06/673858806.db2.gz RPESXMGBCOXFAI-XYPWUTKMSA-N 1 0 351.447 2.252 20 30 FEEDRO C[C@H]1[C@H]([NH+](C)C)CCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000601421614 673859824 /nfs/dbraw/zinc/85/98/24/673859824.db2.gz IILROSIEZQAXFF-GXFFZTMASA-N 1 0 361.389 2.290 20 30 FEEDRO C[C@H]1[C@H]([NH+](C)C)CCN1S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000601422575 673860099 /nfs/dbraw/zinc/86/00/99/673860099.db2.gz SWPIZEYKFQXVBI-IINYFYTJSA-N 1 0 361.389 2.290 20 30 FEEDRO Cc1cc(F)cc(C#N)c1S(=O)(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000601462403 673866600 /nfs/dbraw/zinc/86/66/00/673866600.db2.gz ZOOOLXFXNMXLCZ-ZDUSSCGKSA-N 1 0 353.463 2.405 20 30 FEEDRO N#Cc1ccc(OC[C@@H](O)C[NH2+]C[C@@H](CO)c2ccc(Cl)cc2)cc1 ZINC000601970500 673900506 /nfs/dbraw/zinc/90/05/06/673900506.db2.gz KFDHHDZVAJPITI-WMZOPIPTSA-N 1 0 360.841 2.317 20 30 FEEDRO C[C@H](Oc1ccccc1C#N)C(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000602542170 673907765 /nfs/dbraw/zinc/90/77/65/673907765.db2.gz UVTMZTZEKVNXEU-YUTCNCBUSA-N 1 0 355.360 2.311 20 30 FEEDRO C[NH2+][C@H](C)c1cn(CC(=O)Nc2sc3c(c2C#N)CCCCC3)nn1 ZINC000603171475 673918530 /nfs/dbraw/zinc/91/85/30/673918530.db2.gz ATLSHANRPXROKU-LLVKDONJSA-N 1 0 358.471 2.399 20 30 FEEDRO N#Cc1ccc(NC(=O)Cn2cc(C[NH2+]C3CCCC3)nn2)cc1Cl ZINC000603170816 673918563 /nfs/dbraw/zinc/91/85/63/673918563.db2.gz IJRCMVNXSTUXED-UHFFFAOYSA-N 1 0 358.833 2.474 20 30 FEEDRO N#Cc1ccc(Cn2cc([C@H]([NH3+])[C@H]3CCCO3)nn2)c(Br)c1 ZINC000603243293 673919830 /nfs/dbraw/zinc/91/98/30/673919830.db2.gz JWMNCOCOAMGLHG-CABCVRRESA-N 1 0 362.231 2.139 20 30 FEEDRO CC[NH+](CC)CCC[C@@H](C)Nc1ccc(C#N)cc1CS(N)(=O)=O ZINC000603267409 673920116 /nfs/dbraw/zinc/92/01/16/673920116.db2.gz KRYPGVINPVWBPZ-CQSZACIVSA-N 1 0 352.504 2.269 20 30 FEEDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1c1cc(C#N)c(Br)cn1 ZINC000603364848 673926656 /nfs/dbraw/zinc/92/66/56/673926656.db2.gz DRJAJPBDKBEBSE-GFCCVEGCSA-N 1 0 365.275 2.405 20 30 FEEDRO C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CC[C@H](OC(F)F)C2)c(OC)c1 ZINC000549077838 674015205 /nfs/dbraw/zinc/01/52/05/674015205.db2.gz TZZLLVXLDXEZSD-GJZGRUSLSA-N 1 0 357.397 2.477 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000818615830 675228707 /nfs/dbraw/zinc/22/87/07/675228707.db2.gz WZZRULXKCJMOQN-INIZCTEOSA-N 1 0 351.491 2.095 20 30 FEEDRO N#Cc1cccnc1NCC[NH2+]C[C@@H](O)COCc1ccccc1Cl ZINC000818974467 675248734 /nfs/dbraw/zinc/24/87/34/675248734.db2.gz AMXXPNLHVLBEMI-MRXNPFEDSA-N 1 0 360.845 2.186 20 30 FEEDRO C[NH+](C)CCCNC(=S)NN=C1C[C@H](NC(=O)OC(C)(C)C)C1(C)C ZINC000819807470 675316113 /nfs/dbraw/zinc/31/61/13/675316113.db2.gz IJSIOVPLDVARIA-LBPRGKRZSA-N 1 0 371.551 2.081 20 30 FEEDRO C#C[C@@H](NC(=O)COC1CC[NH+](C)CC1)c1ccc(Br)cc1 ZINC000820936754 675400202 /nfs/dbraw/zinc/40/02/02/675400202.db2.gz PBKMUVKFBRQIEA-MRXNPFEDSA-N 1 0 365.271 2.350 20 30 FEEDRO C#CCN(CC(=O)NC[C@@H](c1ccsc1)[NH+](C)C)C(=O)OC(C)(C)C ZINC000821253710 675423317 /nfs/dbraw/zinc/42/33/17/675423317.db2.gz SIFPCLCFUYETLP-HNNXBMFYSA-N 1 0 365.499 2.337 20 30 FEEDRO C#CCO[C@H](C)C(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000822841091 675510694 /nfs/dbraw/zinc/51/06/94/675510694.db2.gz SUALROUYVSFGSP-CQSZACIVSA-N 1 0 367.287 2.378 20 30 FEEDRO C#CCN(CC(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1)C(=O)OC(C)(C)C ZINC000824627166 675614019 /nfs/dbraw/zinc/61/40/19/675614019.db2.gz IONVPFVZJGQFFW-INIZCTEOSA-N 1 0 351.491 2.093 20 30 FEEDRO C#CCO[C@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000825838672 675670717 /nfs/dbraw/zinc/67/07/17/675670717.db2.gz FDYIFSJXAQKYCN-CZUORRHYSA-N 1 0 354.372 2.434 20 30 FEEDRO C=CCN1C(=S)N=NC1c1sc(NC(=O)[C@@H]2[NH2+]CC2(C)C)nc1C ZINC000826530639 675690324 /nfs/dbraw/zinc/69/03/24/675690324.db2.gz HPAIPFIOAMZYPB-JTQLQIEISA-N 1 0 364.500 2.121 20 30 FEEDRO C=CCN1C(=S)N=NC1c1sc(NC(=O)[C@H]2CC[NH2+][C@@H]2C)nc1C ZINC000826532771 675690564 /nfs/dbraw/zinc/69/05/64/675690564.db2.gz YAMCZEOIRVJIMW-SCZZXKLOSA-N 1 0 364.500 2.121 20 30 FEEDRO N#Cc1cc(N2CCC([NH+]3CCOCC3)CC2)ncc1Br ZINC000603406632 675798126 /nfs/dbraw/zinc/79/81/26/675798126.db2.gz NBEZTJJNLIAHNM-UHFFFAOYSA-N 1 0 351.248 2.017 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)c2c(F)c(C)cc([N+](=O)[O-])c2F)CC1 ZINC000828477801 675822877 /nfs/dbraw/zinc/82/28/77/675822877.db2.gz IJEHMVBCMQUAND-UHFFFAOYSA-N 1 0 351.353 2.399 20 30 FEEDRO CN1CCN(c2ncc(C[NH2+]Cc3ccc(C#N)c(Cl)c3)cn2)CC1 ZINC000619749036 676393128 /nfs/dbraw/zinc/39/31/28/676393128.db2.gz XTNXQPWVOCTKGH-UHFFFAOYSA-N 1 0 356.861 2.043 20 30 FEEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627445711 676755292 /nfs/dbraw/zinc/75/52/92/676755292.db2.gz VWHAJXTYWOZYGM-ZDUSSCGKSA-N 1 0 367.902 2.317 20 30 FEEDRO C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000629173041 676834532 /nfs/dbraw/zinc/83/45/32/676834532.db2.gz LWZGQLFRIZGLIW-CYBMUJFWSA-N 1 0 358.360 2.067 20 30 FEEDRO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)Nc1cccc(C#Cc2cccs2)c1 ZINC000647493859 677302102 /nfs/dbraw/zinc/30/21/02/677302102.db2.gz CFVYLAVGDRKHIO-UONOGXRCSA-N 1 0 355.463 2.328 20 30 FEEDRO C=CCOc1cn(-c2ccccc2)nc1C(=O)N[C@H](CC[NH3+])C(F)F ZINC000648145829 677311990 /nfs/dbraw/zinc/31/19/90/677311990.db2.gz MRBPENIBLJJTHU-CYBMUJFWSA-N 1 0 350.369 2.149 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)Nc1ccc(Cl)c(C(=O)NC2CC2)c1 ZINC000838624002 680706692 /nfs/dbraw/zinc/70/66/92/680706692.db2.gz BNLHIICAEVHASX-UHFFFAOYSA-N 1 0 362.861 2.309 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000661142564 678440766 /nfs/dbraw/zinc/44/07/66/678440766.db2.gz WXJFSSHACCDCRF-HOTGVXAUSA-N 1 0 359.499 2.265 20 30 FEEDRO C=CC[N@H+](CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl)C(C)(C)C ZINC000661760718 678530897 /nfs/dbraw/zinc/53/08/97/678530897.db2.gz XUJKETOQJHDNIV-UHFFFAOYSA-N 1 0 359.879 2.212 20 30 FEEDRO C=C[C@H](CO)[NH2+]C[C@H](NS(=O)(=O)c1ccc(C)cc1)c1ccccc1 ZINC000662168574 678585365 /nfs/dbraw/zinc/58/53/65/678585365.db2.gz LOCJGYQIFSJSKW-MJGOQNOKSA-N 1 0 360.479 2.151 20 30 FEEDRO C=CCN1CCN(C[N@H+]2CCC[C@H](C(=O)NCCCCCC)C2)C1=O ZINC000839980716 680791305 /nfs/dbraw/zinc/79/13/05/680791305.db2.gz CKQYYFHRBMHYNC-KRWDZBQOSA-N 1 0 350.507 2.276 20 30 FEEDRO C=CC[C@]1(C(=O)N2CCN(Cc3cccc(Cl)c3)C(=O)C2)CCC[NH2+]1 ZINC000662657190 678647785 /nfs/dbraw/zinc/64/77/85/678647785.db2.gz XSQMBAPCFJROIW-LJQANCHMSA-N 1 0 361.873 2.209 20 30 FEEDRO C=CC[C@]1(C(=O)NCc2nnc3ccc(C(F)(F)F)cn32)CCC[NH2+]1 ZINC000662669927 678648849 /nfs/dbraw/zinc/64/88/49/678648849.db2.gz HIUNCNUOKMZRMI-OAHLLOKOSA-N 1 0 353.348 2.063 20 30 FEEDRO C=CC[C@@]1(C(=O)N2CCN(c3ncnc4sccc43)CC2)CCC[NH2+]1 ZINC000662674150 678649303 /nfs/dbraw/zinc/64/93/03/678649303.db2.gz WNSSLTOATKYJDD-SFHVURJKSA-N 1 0 357.483 2.038 20 30 FEEDRO C=CC[C@@]1(C(=O)NCc2nc3cc(Br)cnc3[nH]2)CCC[NH2+]1 ZINC000662745505 678657422 /nfs/dbraw/zinc/65/74/22/678657422.db2.gz MNGCIFVXSQPUNI-HNNXBMFYSA-N 1 0 364.247 2.035 20 30 FEEDRO C=CC[C@@]1(C(=O)N[C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)CCC[NH2+]1 ZINC000662799266 678662579 /nfs/dbraw/zinc/66/25/79/678662579.db2.gz IDWQOBTUQONWPH-QAPCUYQASA-N 1 0 365.836 2.399 20 30 FEEDRO C=CCn1c(-c2ccccn2)nn(CN2C[C@H]3CC[N@@H+](C)[C@H]3C2)c1=S ZINC000840133193 680801198 /nfs/dbraw/zinc/80/11/98/680801198.db2.gz QAURRBIEEPQPRP-ZBFHGGJFSA-N 1 0 356.499 2.255 20 30 FEEDRO C=CCC1(NC(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CCCC1 ZINC000663914979 678807970 /nfs/dbraw/zinc/80/79/70/678807970.db2.gz CNRQJTZWZJEIKC-INIZCTEOSA-N 1 0 350.507 2.117 20 30 FEEDRO C=CCc1cc(C[N@H+]2CCSC[C@@H](C(=O)OC)C2)c(O)c(OC)c1 ZINC000840185874 680805466 /nfs/dbraw/zinc/80/54/66/680805466.db2.gz IQLYBHBSYCMFSV-HNNXBMFYSA-N 1 0 351.468 2.467 20 30 FEEDRO C#CC[C@@]1(C(=O)N[C@@H](C)CC[NH+](C)C)CCCN1C(=O)OC(C)(C)C ZINC000764509617 680812430 /nfs/dbraw/zinc/81/24/30/680812430.db2.gz VRHJRKAVHYAWCU-KXBFYZLASA-N 1 0 351.491 2.236 20 30 FEEDRO [NH3+]C1CCN(C(=O)C(=O)Nc2cccc(C#Cc3cccs3)c2)CC1 ZINC000667196610 679077350 /nfs/dbraw/zinc/07/73/50/679077350.db2.gz QBLMYUFXKSXPBI-UHFFFAOYSA-N 1 0 353.447 2.036 20 30 FEEDRO C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CCS[C@@H](C)[C@H]1C ZINC000669033438 679216091 /nfs/dbraw/zinc/21/60/91/679216091.db2.gz PFODKHGYHDRCMY-QXSJWSMHSA-N 1 0 363.531 2.330 20 30 FEEDRO C#CCC[NH+]1CCC(NS(=O)(=O)c2cc(Cl)ccc2OC)CC1 ZINC000840952082 680856592 /nfs/dbraw/zinc/85/65/92/680856592.db2.gz QYWULIJSALKGDZ-UHFFFAOYSA-N 1 0 356.875 2.115 20 30 FEEDRO C#CCC[NH+]1CCC(NS(=O)(=O)c2ccc(OCCC)cc2)CC1 ZINC000840952144 680856488 /nfs/dbraw/zinc/85/64/88/680856488.db2.gz SGJHXDDWWNWFQT-UHFFFAOYSA-N 1 0 350.484 2.241 20 30 FEEDRO COC(=O)C1(C#N)CC[NH+](C[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000831691095 680025663 /nfs/dbraw/zinc/02/56/63/680025663.db2.gz ICPSNGBFGQJXAB-CQSZACIVSA-N 1 0 351.447 2.022 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CCCC2CCOCC2)C1 ZINC001015829240 680053020 /nfs/dbraw/zinc/05/30/20/680053020.db2.gz PDOCWKKFSXYGJL-FHWLQOOXSA-N 1 0 350.503 2.365 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]C[C@H]2CC(C)(C)CO2)C1 ZINC001020714048 680113284 /nfs/dbraw/zinc/11/32/84/680113284.db2.gz LANTYARLFABQNY-DZVNLGKHSA-N 1 0 350.503 2.410 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]C[C@@H](O)C2CCCCC2)C1 ZINC001020726369 680113698 /nfs/dbraw/zinc/11/36/98/680113698.db2.gz HSHGCLGQANEWIJ-FKSLSLAPSA-N 1 0 350.503 2.146 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C(F)(F)F ZINC000912061304 685307183 /nfs/dbraw/zinc/30/71/83/685307183.db2.gz RWEQFEGKIACNJD-NSHDSACASA-N 1 0 353.385 2.066 20 30 FEEDRO C=C(Cl)C(C)(C)C(=O)N1C[C@@H](CNC(=O)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000994215658 680226674 /nfs/dbraw/zinc/22/66/74/680226674.db2.gz FJWZGMDAMINRLT-CZUORRHYSA-N 1 0 369.937 2.318 20 30 FEEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)c1ccc(Sc2ccccc2Cl)nn1 ZINC000834489038 680233996 /nfs/dbraw/zinc/23/39/96/680233996.db2.gz IOAVGWQVYMCIMU-GWCFXTLKSA-N 1 0 359.842 2.123 20 30 FEEDRO Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000834506632 680236400 /nfs/dbraw/zinc/23/64/00/680236400.db2.gz UOAKGNPQWALFCC-HUUCEWRRSA-N 1 0 357.845 2.043 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](CCc2ccns2)C1 ZINC001023376074 680257636 /nfs/dbraw/zinc/25/76/36/680257636.db2.gz VNTIIQVRBGVTTN-NXHRZFHOSA-N 1 0 363.527 2.495 20 30 FEEDRO C[NH+](C)C[C@@](C)(CN=Nc1ccccc1S(N)(=O)=O)c1ccccc1 ZINC000834976357 680285684 /nfs/dbraw/zinc/28/56/84/680285684.db2.gz DGNNWYDPURPIHZ-GOSISDBHSA-N 1 0 360.483 2.251 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC([NH2+]Cc2nnc(C)s2)CC1 ZINC000997085858 680346734 /nfs/dbraw/zinc/34/67/34/680346734.db2.gz RTVUMDUXMGLYRL-RDJZCZTQSA-N 1 0 364.515 2.298 20 30 FEEDRO N#Cc1ccc(C[NH2+]C[C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]cn3)C2)s1 ZINC001026896740 680352387 /nfs/dbraw/zinc/35/23/87/680352387.db2.gz FPKOKEHETAHHRH-DAXOMENPSA-N 1 0 355.467 2.085 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2ccc(F)c(F)c2)C1 ZINC001027075515 680354557 /nfs/dbraw/zinc/35/45/57/680354557.db2.gz UNKDNCPVNJOBLR-RKVPGOIHSA-N 1 0 350.409 2.494 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]CC2CCOCC2)C1 ZINC001027113836 680355179 /nfs/dbraw/zinc/35/51/79/680355179.db2.gz KEWYGEIPRFSHIZ-FHWLQOOXSA-N 1 0 350.503 2.222 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC(C[NH2+]C[C@H]2CCCOC2)CC1 ZINC000997782165 680365681 /nfs/dbraw/zinc/36/56/81/680365681.db2.gz SASAZVVZMZOUFO-QRVBRYPASA-N 1 0 350.503 2.222 20 30 FEEDRO C=C(Br)CN1CC[C@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001028550625 680374165 /nfs/dbraw/zinc/37/41/65/680374165.db2.gz FFYCKPGUVRBDLL-QLFBSQMISA-N 1 0 358.324 2.063 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2nc(C(C)C)ns2)C1 ZINC000984825950 680384709 /nfs/dbraw/zinc/38/47/09/680384709.db2.gz JRDVPJIBASAKSM-TUVASFSCSA-N 1 0 364.515 2.237 20 30 FEEDRO C[C@@H]1[C@H](C(=O)NCC2CN(CC#Cc3ccccc3Cl)C2)CC[N@@H+]1C ZINC001031681095 680406271 /nfs/dbraw/zinc/40/62/71/680406271.db2.gz DGPSEUDPGIDZCJ-CRAIPNDOSA-N 1 0 359.901 2.080 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2nn(C)cc2Cl)CC1 ZINC001034740533 680439086 /nfs/dbraw/zinc/43/90/86/680439086.db2.gz LYDQTINNUIMFDA-WBOJAVRRSA-N 1 0 366.893 2.182 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([N@H+](C)CC[C@H]2CCCO2)CC1 ZINC000985436405 680447788 /nfs/dbraw/zinc/44/77/88/680447788.db2.gz ZAPWPLWHVOSKTL-QRVBRYPASA-N 1 0 350.503 2.460 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC2(C1)CC[NH+](CCCO)CC2 ZINC001040881980 680492895 /nfs/dbraw/zinc/49/28/95/680492895.db2.gz VLMQAEWOQXNJCZ-ROUUACIJSA-N 1 0 350.503 2.055 20 30 FEEDRO C=C(Cl)C(C)(C)C(=O)N1C[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)CC[C@@H]2C1 ZINC000986157911 680497074 /nfs/dbraw/zinc/49/70/74/680497074.db2.gz JSLPETIJLAZMQU-OWCLPIDISA-N 1 0 367.921 2.166 20 30 FEEDRO C=C(Cl)C(C)(C)C(=O)N1C[C@@H]2CN(C(=O)C[NH+]3CCCC3)CC[C@@H]2C1 ZINC000986157385 680497147 /nfs/dbraw/zinc/49/71/47/680497147.db2.gz HDNFYSYNLMGQOX-CVEARBPZSA-N 1 0 367.921 2.168 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)NC1CC[NH+](CC2CC(OCC)C2)CC1 ZINC001002849726 680510603 /nfs/dbraw/zinc/51/06/03/680510603.db2.gz XGIABVYQYTTYBR-AWRGBYNESA-N 1 0 350.503 2.363 20 30 FEEDRO C=C(Cl)C(C)(C)C(=O)N1CC[C@@H]2CN(C(=O)[C@H](CC)[NH+](C)C)C[C@@H]2C1 ZINC000986424505 680511583 /nfs/dbraw/zinc/51/15/83/680511583.db2.gz IGNUYMYMIWXCSJ-PMPSAXMXSA-N 1 0 369.937 2.412 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001006109489 680593670 /nfs/dbraw/zinc/59/36/70/680593670.db2.gz UWLHVBXOCVTPCA-WDSOQIARSA-N 1 0 350.503 2.317 20 30 FEEDRO N#Cc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)s1 ZINC001045075394 680621320 /nfs/dbraw/zinc/62/13/20/680621320.db2.gz ADIZTCLPAZVLQU-APHBMKBZSA-N 1 0 355.467 2.227 20 30 FEEDRO C#CCNC(=O)C1CC[NH+](C[C@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000759134842 680630026 /nfs/dbraw/zinc/63/00/26/680630026.db2.gz NLFHVHRYUKIYMO-INIZCTEOSA-N 1 0 355.265 2.488 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CC2(CO1)CC[NH+](C(C)C)CC2 ZINC001045682907 680638385 /nfs/dbraw/zinc/63/83/85/680638385.db2.gz WLUIZQHVNBGIEO-SQNIBIBYSA-N 1 0 350.503 2.363 20 30 FEEDRO C=C(Cl)CN1CCC[C@@H](NC(=O)[C@@H]2CCO[C@H]2c2ccnn2CC)C1 ZINC001007523444 680646456 /nfs/dbraw/zinc/64/64/56/680646456.db2.gz AGOSEDIFQPHDTC-BFYDXBDKSA-N 1 0 366.893 2.314 20 30 FEEDRO CC(=NNC(=S)NCCC[NH+](C)C)c1cnn(Cc2ccccc2)c1 ZINC000760259737 680680908 /nfs/dbraw/zinc/68/09/08/680680908.db2.gz WVKOPUDZDKDMMP-UHFFFAOYSA-N 1 0 358.515 2.071 20 30 FEEDRO Cc1c(Br)c(Cl)ncc1NC(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000841192261 680868450 /nfs/dbraw/zinc/86/84/50/680868450.db2.gz QCPIAMKPFDQYPL-IONNQARKSA-N 1 0 358.627 2.039 20 30 FEEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)Nc1cccc2c(Br)ccnc12 ZINC000841259419 680871850 /nfs/dbraw/zinc/87/18/50/680871850.db2.gz OWDIIQPQTHIEIX-NOZJJQNGSA-N 1 0 360.215 2.230 20 30 FEEDRO C#C[C@H](NC(=O)N[C@H]1C[NH2+]CC[C@@H]1C)c1ccc(Br)cc1 ZINC000841978845 680919983 /nfs/dbraw/zinc/91/99/83/680919983.db2.gz ZYDULHMLFUAPNX-CQDKDKBSSA-N 1 0 350.260 2.421 20 30 FEEDRO C#C[C@H](NC(=O)N[C@@H]1CC[NH2+]C[C@@H]1C)c1ccc(Br)cc1 ZINC000841990367 680920458 /nfs/dbraw/zinc/92/04/58/680920458.db2.gz XJTWGZPIUMAOMW-TUKIKUTGSA-N 1 0 350.260 2.421 20 30 FEEDRO CN(C1CCC([NH3+])CC1)S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000842737494 680963131 /nfs/dbraw/zinc/96/31/31/680963131.db2.gz KQXPBIFLIUXQMB-UHFFFAOYSA-N 1 0 372.288 2.211 20 30 FEEDRO N#Cc1ccc(OC[C@@H](O)C[NH2+]C[C@H](O)c2ccc(Cl)c(F)c2)cc1 ZINC000843096110 680987351 /nfs/dbraw/zinc/98/73/51/680987351.db2.gz XCOAZQSEHSOESO-KSSFIOAISA-N 1 0 364.804 2.414 20 30 FEEDRO C[C@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)[C@H](O)c1cccc(F)c1 ZINC000843105028 680987909 /nfs/dbraw/zinc/98/79/09/680987909.db2.gz RUGRJEMRCUZAIQ-UGSOOPFHSA-N 1 0 362.426 2.183 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]2C[N@@H+](Cc3scnc3C)C[C@H]21 ZINC001050143810 681042367 /nfs/dbraw/zinc/04/23/67/681042367.db2.gz GTHYCRQZDNVOKO-HZMVEIRTSA-N 1 0 361.511 2.465 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[C@H](C[NH2+]Cc2nnc(C)s2)CC1 ZINC001050367892 681046470 /nfs/dbraw/zinc/04/64/70/681046470.db2.gz BQTIJAPOIWZHFS-FPCVCCKLSA-N 1 0 364.515 2.202 20 30 FEEDRO CN(CCC#N)C(=O)CC[N@@H+]1CCN(C(=O)OC(C)(C)C)CC1(C)C ZINC000771445686 681056059 /nfs/dbraw/zinc/05/60/59/681056059.db2.gz FGENYJJOIGIQEG-UHFFFAOYSA-N 1 0 352.479 2.080 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCO[C@@H](C[NH2+]Cc2csc(C)c2)C1 ZINC001051867141 681070668 /nfs/dbraw/zinc/07/06/68/681070668.db2.gz BSWJWASNHTXRTL-BZSNNMDCSA-N 1 0 364.511 2.355 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CC2CCOCC2)CC1 ZINC001052388344 681076409 /nfs/dbraw/zinc/07/64/09/681076409.db2.gz GBOPKOSAFRWGIK-OTWHNJEPSA-N 1 0 350.503 2.365 20 30 FEEDRO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)CC1 ZINC001052493131 681080043 /nfs/dbraw/zinc/08/00/43/681080043.db2.gz OGJWNBQZAXDHHZ-ZNMIVQPWSA-N 1 0 364.408 2.270 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2cc(OC)ns2)CC1 ZINC001052723793 681084665 /nfs/dbraw/zinc/08/46/65/681084665.db2.gz UYGRQMKKBQNWBM-IMJJTQAJSA-N 1 0 365.499 2.214 20 30 FEEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)c3ccc(Cl)nn3)CC2)c1 ZINC000845002379 681097742 /nfs/dbraw/zinc/09/77/42/681097742.db2.gz KEGZDFWWDCZWFU-UHFFFAOYSA-N 1 0 355.829 2.396 20 30 FEEDRO N#Cc1c(F)cccc1S(=O)(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000772957470 681120037 /nfs/dbraw/zinc/12/00/37/681120037.db2.gz CIVPJVXMBNQXKD-GUYCJALGSA-N 1 0 363.458 2.335 20 30 FEEDRO C#CCOc1ccc([C@H](C)[NH2+][C@@H](CCSC)C(=O)N(C)OC)cc1 ZINC000773050147 681122508 /nfs/dbraw/zinc/12/25/08/681122508.db2.gz FEJAPJOTCBBKNM-YOEHRIQHSA-N 1 0 350.484 2.491 20 30 FEEDRO CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N ZINC000773271668 681133937 /nfs/dbraw/zinc/13/39/37/681133937.db2.gz VTEBZYJCCRDSLS-KGLIPLIRSA-N 1 0 352.479 2.125 20 30 FEEDRO C=CCNS(=O)(=O)c1cccc(C(=O)OC[C@H]2CC[N@H+]2C(C)(C)C)c1 ZINC000845739008 681149739 /nfs/dbraw/zinc/14/97/39/681149739.db2.gz DJGPXYFKAYHDFR-OAHLLOKOSA-N 1 0 366.483 2.181 20 30 FEEDRO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](Nc3ncc(C#N)cc3Cl)C2)CC[N@@H+]1C ZINC001056802927 681156808 /nfs/dbraw/zinc/15/68/08/681156808.db2.gz KZSKNNWYPQXKAB-IJEWVQPXSA-N 1 0 361.877 2.350 20 30 FEEDRO CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(c3nc(C#N)c(Cl)s3)C2)CC[N@@H+]1C ZINC001058573768 681172946 /nfs/dbraw/zinc/17/29/46/681172946.db2.gz WBHKGHIBWPKQFM-GMXVVIOVSA-N 1 0 367.906 2.093 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C2(n3cc(Br)cn3)CC2)CC1 ZINC000932142399 681183280 /nfs/dbraw/zinc/18/32/80/681183280.db2.gz AZPHZPVIKDWAKF-UHFFFAOYSA-N 1 0 367.291 2.291 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cc(=O)[nH]cc2Br)CC1 ZINC000932144434 681183791 /nfs/dbraw/zinc/18/37/91/681183791.db2.gz RKXHKKLHGADPQY-UHFFFAOYSA-N 1 0 354.248 2.320 20 30 FEEDRO CS(=O)(=O)CCN1CCC([NH2+][C@@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000775387179 681303624 /nfs/dbraw/zinc/30/36/24/681303624.db2.gz JYOKTZTXZVPROS-LJQANCHMSA-N 1 0 361.511 2.034 20 30 FEEDRO C[C@@H]([NH2+]CCCOc1ccc(C#N)cc1)c1cccc(S(N)(=O)=O)c1 ZINC000775617603 681319422 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FEEDRO N#Cc1cc(CS(=O)(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)cs1 ZINC000917395046 685531782 /nfs/dbraw/zinc/53/17/82/685531782.db2.gz GVEFCTIRUMROAJ-CQSZACIVSA-N 1 0 353.513 2.446 20 30 FEEDRO CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C2CN(Cc3ccc(C#N)s3)C2)CC[N@@H+]1C ZINC000969691826 682272909 /nfs/dbraw/zinc/27/29/09/682272909.db2.gz XXRDUHDLMUDGBU-DOPJRALCSA-N 1 0 360.527 2.287 20 30 FEEDRO N#Cc1cc(CS(=O)(=O)N2CCCN(c3cc[nH+]cc3)CC2)cs1 ZINC000918914698 685543304 /nfs/dbraw/zinc/54/33/04/685543304.db2.gz ZSXJTVANSVVEDB-UHFFFAOYSA-N 1 0 362.480 2.057 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@]2(C1)C[N@H+](CC(CC)CC)CCO2 ZINC000972562010 682422475 /nfs/dbraw/zinc/42/24/75/682422475.db2.gz ZGSVTENNDLPEJH-WSTZPKSXSA-N 1 0 350.503 2.317 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)[C@H]1N(C(=O)OC(C)(C)C)CCC1(C)C ZINC000854663697 682577007 /nfs/dbraw/zinc/57/70/07/682577007.db2.gz DCTIHZCKDCZOLZ-OAHLLOKOSA-N 1 0 351.491 2.093 20 30 FEEDRO COC(=O)C1(C#N)CC[NH+](CCC2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000859324597 683084121 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2.418 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)Cc2cc(Br)ccc2F)CC1 ZINC000928654581 683481939 /nfs/dbraw/zinc/48/19/39/683481939.db2.gz IHXRZYXDWVXZMC-UHFFFAOYSA-N 1 0 353.235 2.345 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CC1 ZINC000928653066 683481990 /nfs/dbraw/zinc/48/19/90/683481990.db2.gz XVVBCDSVMIJHFF-UHFFFAOYSA-N 1 0 353.781 2.144 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)CC)CC1 ZINC000928654496 683482026 /nfs/dbraw/zinc/48/20/26/683482026.db2.gz FASUTFSTOYPXKH-HOCLYGCPSA-N 1 0 351.491 2.140 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000928656531 683482552 /nfs/dbraw/zinc/48/25/52/683482552.db2.gz YOAZRMYCRKQFGU-UHFFFAOYSA-N 1 0 355.316 2.441 20 30 FEEDRO C#CCN(C(=O)N[C@@H]1CC[C@H]2SCCS[C@@H]12)C1CC[NH+](C)CC1 ZINC000921701965 683549020 /nfs/dbraw/zinc/54/90/20/683549020.db2.gz VOUSIHWCUGKPAK-OAGGEKHMSA-N 1 0 353.557 2.105 20 30 FEEDRO N#Cc1cc(C[NH2+]CCN2CCN(C(=O)C3CCCCC3)CC2)cs1 ZINC000921736751 683561498 /nfs/dbraw/zinc/56/14/98/683561498.db2.gz KSEHISUZIDQAIR-UHFFFAOYSA-N 1 0 360.527 2.434 20 30 FEEDRO C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cccc2cc(C)cnc21 ZINC000922026415 683640289 /nfs/dbraw/zinc/64/02/89/683640289.db2.gz OFWIRSGEKJUGNF-UHFFFAOYSA-N 1 0 357.479 2.261 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)N1CCC[C@H](c2nc3c(s2)CCC3)C1 ZINC000922630007 683758242 /nfs/dbraw/zinc/75/82/42/683758242.db2.gz NJZINLQSOANKNT-HNNXBMFYSA-N 1 0 360.527 2.476 20 30 FEEDRO C[C@]1(NC(=O)Cc2ccc(Br)cc2C#N)C[NH+]2CCC1CC2 ZINC000864085312 683800674 /nfs/dbraw/zinc/80/06/74/683800674.db2.gz UYOPEJALTKRWPV-KRWDZBQOSA-N 1 0 362.271 2.464 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)NCCC(C)(C)C(=O)OC(C)(C)C)CC1 ZINC000922961680 683812294 /nfs/dbraw/zinc/81/22/94/683812294.db2.gz SCXJRYPRHVEQDM-UHFFFAOYSA-N 1 0 351.491 2.141 20 30 FEEDRO C=C(Cl)C[C@H]1NC(=O)N(c2ccc(OCC[NH+](C)C)c(OC)c2)C1=O ZINC000864564278 683868203 /nfs/dbraw/zinc/86/82/03/683868203.db2.gz PVMBHJKFWZWAOR-CYBMUJFWSA-N 1 0 367.833 2.203 20 30 FEEDRO N#CCc1ccsc1C(=O)NC[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000864613950 683873471 /nfs/dbraw/zinc/87/34/71/683873471.db2.gz LWACOZRGGCLFTC-QGZVFWFLSA-N 1 0 355.463 2.445 20 30 FEEDRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)c2sccc2CC#N)CC1 ZINC000865078506 683932697 /nfs/dbraw/zinc/93/26/97/683932697.db2.gz RATJQYRZHBBCPR-HZPDHXFCSA-N 1 0 360.527 2.445 20 30 FEEDRO C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC1CC[NH+](C)CC1 ZINC000865094019 683935220 /nfs/dbraw/zinc/93/52/20/683935220.db2.gz CJPZSMZANVNHLF-CQSZACIVSA-N 1 0 359.898 2.480 20 30 FEEDRO C[N@@H+]1CC[C@@H](Cn2nnnc2Sc2cc(C(F)(F)F)cc(C#N)n2)C1 ZINC000865620596 684006376 /nfs/dbraw/zinc/00/63/76/684006376.db2.gz NPYMLAPFARSXBL-SECBINFHSA-N 1 0 369.376 2.061 20 30 FEEDRO C[NH+](C)CC#CCNC(=O)Nc1ccc2c(c1)CN(CC(F)(F)F)C2 ZINC000931710893 684334209 /nfs/dbraw/zinc/33/42/09/684334209.db2.gz VMUXHVJXRDKZFL-UHFFFAOYSA-N 1 0 354.376 2.251 20 30 FEEDRO C[NH+](C)C1(C)CCC(NS(=O)(=O)Cc2cc(C#N)ccc2F)CC1 ZINC000867743513 684370337 /nfs/dbraw/zinc/37/03/37/684370337.db2.gz RRLXHLYTSPXMEI-UHFFFAOYSA-N 1 0 353.463 2.380 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CC[C@@H](C2OCCO2)C1 ZINC000932003599 684386531 /nfs/dbraw/zinc/38/65/31/684386531.db2.gz WRXKTQZTDKQVNO-LSDHHAIUSA-N 1 0 350.484 2.346 20 30 FEEDRO CC#CCS(=O)(=O)c1cccc(C(=O)NCC[N@H+](C)C2CCCC2)c1 ZINC000932046317 684397750 /nfs/dbraw/zinc/39/77/50/684397750.db2.gz MZJHTVGSFRIZMM-UHFFFAOYSA-N 1 0 362.495 2.088 20 30 FEEDRO C[NH2+]CCOCCN(C)C(=O)N[C@@H](c1cccc(C#N)c1)C(F)(F)F ZINC000868211987 684465070 /nfs/dbraw/zinc/46/50/70/684465070.db2.gz ZSDURPOWUZTKLB-AWEZNQCLSA-N 1 0 358.364 2.039 20 30 FEEDRO Cc1cccc(C#N)c1S(=O)(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000871805984 684858621 /nfs/dbraw/zinc/85/86/21/684858621.db2.gz UNKQTUUOFVRVPG-STQMWFEESA-N 1 0 361.389 2.015 20 30 FEEDRO N#Cc1cc(F)cc(S(=O)(=O)N[C@@H]2CCCCC23CC[NH2+]CC3)c1 ZINC000871819092 684862910 /nfs/dbraw/zinc/86/29/10/684862910.db2.gz RCQZIBUINZKJQD-MRXNPFEDSA-N 1 0 351.447 2.288 20 30 FEEDRO N#Cc1cc(S(=O)(=O)N[C@]23CCC[C@@H]2[NH2+]CC3)ccc1C(F)(F)F ZINC000871820589 684863231 /nfs/dbraw/zinc/86/32/31/684863231.db2.gz RMJASQCOBYQKQM-KBPBESRZSA-N 1 0 359.373 2.140 20 30 FEEDRO C=CCC[N@H+]1CC[C@@H](N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1 ZINC000872296737 684935703 /nfs/dbraw/zinc/93/57/03/684935703.db2.gz YQXHPNUXSDMAHZ-KFWWJZLASA-N 1 0 351.447 2.077 20 30 FEEDRO C[NH+]1CCC(CN=Nc2ccc(S(=O)(=O)NC3CCCC3)cn2)CC1 ZINC000872341786 684938463 /nfs/dbraw/zinc/93/84/63/684938463.db2.gz BLURMPZNWAABTG-UHFFFAOYSA-N 1 0 365.503 2.042 20 30 FEEDRO N#Cc1cc(F)c(N2C[C@@H]3CCC[N@H+]3C[C@@H]2CO)cc1Br ZINC000872758413 685013513 /nfs/dbraw/zinc/01/35/13/685013513.db2.gz ZOKOQNLNKNUMBA-NWDGAFQWSA-N 1 0 354.223 2.105 20 30 FEEDRO C=CCc1cc(OCC)cc(C[N@@H+]2CC[C@H]3CS(=O)(=O)C[C@H]3C2)c1O ZINC000872793700 685016380 /nfs/dbraw/zinc/01/63/80/685016380.db2.gz CKRVTWOOHZPHSY-DOTOQJQBSA-N 1 0 365.495 2.386 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)Nc1ccc(C(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000876613634 686228606 /nfs/dbraw/zinc/22/86/06/686228606.db2.gz GGGHKJOTKPRTOQ-XEZPLFJOSA-N 1 0 365.861 2.344 20 30 FEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCN(C(=O)Cc2ccccc2Cl)CC1 ZINC000876624396 686231475 /nfs/dbraw/zinc/23/14/75/686231475.db2.gz LSUURSLRLJFYIM-OAHLLOKOSA-N 1 0 370.280 2.023 20 30 FEEDRO N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1CCO[C@@H](c2cccs2)C1 ZINC000876627703 686231776 /nfs/dbraw/zinc/23/17/76/686231776.db2.gz IWMXEFMFGXNYKN-AEFFLSMTSA-N 1 0 353.447 2.407 20 30 FEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@H](CCSC)c1nnc2ccccn21 ZINC000876713480 686251413 /nfs/dbraw/zinc/25/14/13/686251413.db2.gz JTIIKYUPZXLXPU-VXGBXAGGSA-N 1 0 353.879 2.110 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N(CC(=O)OC)Cc1cc(Cl)ccc1O ZINC000876880284 686287115 /nfs/dbraw/zinc/28/71/15/686287115.db2.gz SIEHIIHIYUSOTL-LBPRGKRZSA-N 1 0 361.225 2.017 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N1CCN(C(=O)Nc2ccc(C)cc2)CC1 ZINC000876886467 686287678 /nfs/dbraw/zinc/28/76/78/686287678.db2.gz XRWYZBYAZZQXMN-HNNXBMFYSA-N 1 0 350.850 2.141 20 30 FEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC2(C[C@@H]2C(=O)N2CCCCC2)CC1 ZINC000876902456 686291517 /nfs/dbraw/zinc/29/15/17/686291517.db2.gz CQKMBFUQLOTBBY-HUUCEWRRSA-N 1 0 353.894 2.098 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1 ZINC000876902756 686291651 /nfs/dbraw/zinc/29/16/51/686291651.db2.gz GLLHKNSKBAYGOV-GZBFAFLISA-N 1 0 356.253 2.198 20 30 FEEDRO C=CCOc1ccc(C(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)cc1OC ZINC000877367521 686365976 /nfs/dbraw/zinc/36/59/76/686365976.db2.gz DJPGCFOSGHFVDT-QWHCGFSZSA-N 1 0 358.360 2.469 20 30 FEEDRO C#CCNC(=O)C1CC[NH+](C[C@@H](O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000878018580 686502602 /nfs/dbraw/zinc/50/26/02/686502602.db2.gz KIOYWMDRWOXMJT-MRXNPFEDSA-N 1 0 355.265 2.488 20 30 FEEDRO CNS(=O)(=O)c1ccc(N2CC[NH+](CCCC(C)(C)C#N)CC2)cc1 ZINC000880267220 687025060 /nfs/dbraw/zinc/02/50/60/687025060.db2.gz KZLPVPLTXYHVKG-UHFFFAOYSA-N 1 0 364.515 2.047 20 30 FEEDRO CO[C@H]1COCC[C@@H]1[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000880429610 687047402 /nfs/dbraw/zinc/04/74/02/687047402.db2.gz IAQRVGNUNLDQBC-GJZGRUSLSA-N 1 0 363.483 2.173 20 30 FEEDRO N#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@H]3CCNC(=O)[C@@H]32)cc1Cl ZINC000880527862 687057935 /nfs/dbraw/zinc/05/79/35/687057935.db2.gz VTEWVTPACXFMQJ-YVEFUNNKSA-N 1 0 360.845 2.141 20 30 FEEDRO C=CCCc1ccc(S(=O)(=O)NCCCC[N@H+]2CCC[C@@H]2CO)cc1 ZINC000881921123 687261153 /nfs/dbraw/zinc/26/11/53/687261153.db2.gz XBSOGJVCGLJJPG-GOSISDBHSA-N 1 0 366.527 2.320 20 30 FEEDRO CCC1([NH+]2CCCCC2)CCN(S(=O)(=O)c2cccnc2C#N)CC1 ZINC000882618380 687410459 /nfs/dbraw/zinc/41/04/59/687410459.db2.gz RTEDOMYQMAPNKU-UHFFFAOYSA-N 1 0 362.499 2.372 20 30 FEEDRO CCN(C[C@H](C)C#N)S(=O)(=O)N1CCC(CC)([NH+]2CCCCC2)CC1 ZINC000882618147 687410522 /nfs/dbraw/zinc/41/05/22/687410522.db2.gz KRTVELGLDWGNAY-QGZVFWFLSA-N 1 0 370.563 2.443 20 30 FEEDRO C=CCC[C@H]([NH2+]C1CCN(S(=O)(=O)C(F)(F)F)CC1)[C@@H]1CCCO1 ZINC000883197852 687586072 /nfs/dbraw/zinc/58/60/72/687586072.db2.gz UXPZMHHERDHSKZ-KBPBESRZSA-N 1 0 370.437 2.404 20 30 FEEDRO C=C(C)C[C@H](CO)NC(=O)NCC1([NH+]2CCC(OC)CC2)CCCC1 ZINC000883349557 687612278 /nfs/dbraw/zinc/61/22/78/687612278.db2.gz FWNFQUQZXIWPCD-MRXNPFEDSA-N 1 0 353.507 2.036 20 30 FEEDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)NCc1ccc(SC)c(C#N)c1 ZINC000884160711 687804602 /nfs/dbraw/zinc/80/46/02/687804602.db2.gz MEFHYLMNPUJAFE-INIZCTEOSA-N 1 0 362.499 2.190 20 30 FEEDRO N#C[C@@H]1C[NH2+]CC12CC(C(=O)Nc1nc(CN3CCCCC3)cs1)C2 ZINC000884177606 687808891 /nfs/dbraw/zinc/80/88/91/687808891.db2.gz OOKKRLJZDGXYCJ-TXKKKEFDSA-N 1 0 359.499 2.207 20 30 FEEDRO N#C[C@@H]1C[NH2+]CC12CC(C(=O)NCc1ccc(OC(F)F)cc1F)C2 ZINC000884468629 687876953 /nfs/dbraw/zinc/87/69/53/687876953.db2.gz IMTNFNSIXPTFIH-VMBJYNEYSA-N 1 0 353.344 2.183 20 30 FEEDRO N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000884951999 687972605 /nfs/dbraw/zinc/97/26/05/687972605.db2.gz KFDIFKUZMBDWAH-ZIAGYGMSSA-N 1 0 373.400 2.482 20 30 FEEDRO C[NH+]1CCC([C@H]2CCN(S(=O)(=O)c3ccc(CCC#N)cc3)C2)CC1 ZINC000885077151 688011611 /nfs/dbraw/zinc/01/16/11/688011611.db2.gz NPBNTPTWQSQIFF-SFHVURJKSA-N 1 0 361.511 2.495 20 30 FEEDRO CCN(CCC#N)C(=O)C[N@H+](CC)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000886412531 688249110 /nfs/dbraw/zinc/24/91/10/688249110.db2.gz JYTRWVSSMVNNAL-OAHLLOKOSA-N 1 0 352.479 2.080 20 30 FEEDRO C#CCN(C(=O)CN(C(=O)OC(C)(C)C)C(C)C)C1CC[NH+](C)CC1 ZINC000886573304 688278388 /nfs/dbraw/zinc/27/83/88/688278388.db2.gz DOKSYDZYSMPMID-UHFFFAOYSA-N 1 0 351.491 2.188 20 30 FEEDRO N#CCCc1ccc(S(=O)(=O)NCC[C@@H]([NH3+])Cc2ccccc2)cc1 ZINC000886889436 688333966 /nfs/dbraw/zinc/33/39/66/688333966.db2.gz VFOPEAOOLNOFHT-GOSISDBHSA-N 1 0 357.479 2.381 20 30 FEEDRO N#Cc1c(Cl)cccc1S(=O)(=O)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886899366 688335998 /nfs/dbraw/zinc/33/59/98/688335998.db2.gz ISYOUOXECKMSET-MRXNPFEDSA-N 1 0 353.875 2.366 20 30 FEEDRO CCN(C(=O)C(=O)Nc1ccccc1SC[C@H](C)C#N)[C@@H]1CC[NH2+]C1 ZINC000886997506 688352510 /nfs/dbraw/zinc/35/25/10/688352510.db2.gz NLHAWCONFJTOCY-ZIAGYGMSSA-N 1 0 360.483 2.087 20 30 FEEDRO C#CCC1([NH2+]CC(=O)N[C@@H](C)Cc2c(F)cccc2F)CCOCC1 ZINC000887124693 688369803 /nfs/dbraw/zinc/36/98/03/688369803.db2.gz PAODTMZZZPVTBR-AWEZNQCLSA-N 1 0 350.409 2.174 20 30 FEEDRO C#CCC1([NH2+]CC(=O)Nc2nnc(CCCCC)s2)CCOCC1 ZINC000887123168 688369891 /nfs/dbraw/zinc/36/98/91/688369891.db2.gz BZLPQJFAJOKAOG-UHFFFAOYSA-N 1 0 350.488 2.371 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)c1nc(Cl)nc2nc[nH]c21 ZINC000892912609 689263705 /nfs/dbraw/zinc/26/37/05/689263705.db2.gz WFABMCXHVQFXIC-UHFFFAOYSA-N 1 0 355.833 2.446 20 30 FEEDRO CSc1ccc([C@@H](CNC(=O)N2CCO[C@](C)(C#N)C2)[NH+](C)C)cc1 ZINC000895058197 689650344 /nfs/dbraw/zinc/65/03/44/689650344.db2.gz JNNZIEFCUQXCKA-SJLPKXTDSA-N 1 0 362.499 2.335 20 30 FEEDRO C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@@H]1CCCN(O)C1=O ZINC000895162498 689669724 /nfs/dbraw/zinc/66/97/24/689669724.db2.gz LYXFFLZRQPTING-ZWNOBZJWSA-N 1 0 359.348 2.392 20 30 FEEDRO COC(=O)[C@@H]1[C@@H](C[NH2+]C2(c3ccc(C#N)cc3)CCOCC2)C1(F)F ZINC000895405574 689710537 /nfs/dbraw/zinc/71/05/37/689710537.db2.gz LKGAKIMQTGFGPP-CABCVRRESA-N 1 0 350.365 2.208 20 30 FEEDRO C#C[C@H](NC(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO)c1ccc(Cl)cc1 ZINC000895684897 689754419 /nfs/dbraw/zinc/75/44/19/689754419.db2.gz GTAAGTPSEGCHAX-RCCFBDPRSA-N 1 0 361.873 2.255 20 30 FEEDRO C=CCOc1ccc(C[NH2+][C@H]2C(=O)NCC23CCOCC3)cc1Cl ZINC000895773801 689770253 /nfs/dbraw/zinc/77/02/53/689770253.db2.gz TZBJAJPLQPDWAZ-INIZCTEOSA-N 1 0 350.846 2.290 20 30 FEEDRO Cc1c2cc(C#N)ccc2sc1C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC000896540833 689889038 /nfs/dbraw/zinc/88/90/38/689889038.db2.gz YUNJPHPNQNWHHI-CJNGLKHVSA-N 1 0 356.495 2.446 20 30 FEEDRO N#Cc1cccc(Br)c1N1CC[C@H]2[C@H]1CCCN2CCO ZINC000897220112 689990239 /nfs/dbraw/zinc/99/02/39/689990239.db2.gz SNYHYWVVYBKBBJ-LSDHHAIUSA-N 1 0 350.260 2.356 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)NC[C@H](c1cccc(Cl)c1)N1CCOCC1 ZINC000900516820 690526545 /nfs/dbraw/zinc/52/65/45/690526545.db2.gz WLRGFEKQIDODCY-GOSISDBHSA-N 1 0 365.905 2.337 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)N1CCN(C(=O)c2ccc(Cl)cc2F)CC1 ZINC000900519066 690527064 /nfs/dbraw/zinc/52/70/64/690527064.db2.gz TZBPOXOWACZHAG-UHFFFAOYSA-N 1 0 367.852 2.271 20 30 FEEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1cn(CC)nn1 ZINC000901425376 690645752 /nfs/dbraw/zinc/64/57/52/690645752.db2.gz QXKKQATXVVITLW-UHFFFAOYSA-N 1 0 361.519 2.396 20 30 FEEDRO C=CCN(C)S(=O)(=O)c1ccc(NC(=O)CC[NH2+]C(C)(C)C)cc1 ZINC000902681525 690797907 /nfs/dbraw/zinc/79/79/07/690797907.db2.gz WPBZQTQGXDKAKM-UHFFFAOYSA-N 1 0 353.488 2.210 20 30 FEEDRO C=CCC[C@H](Cc1ccccc1)[NH2+]CCS(=O)(=O)N=S(C)(C)=O ZINC000903227032 690869881 /nfs/dbraw/zinc/86/98/81/690869881.db2.gz QMQPXMRIQHZUDC-MRXNPFEDSA-N 1 0 358.529 2.211 20 30 FEEDRO C=CCC[C@@H](Cc1ccccc1)[NH2+]CCS(=O)(=O)N=S(C)(C)=O ZINC000903227031 690870056 /nfs/dbraw/zinc/87/00/56/690870056.db2.gz QMQPXMRIQHZUDC-INIZCTEOSA-N 1 0 358.529 2.211 20 30 FEEDRO [NH3+][C@@H](CC(F)F)CN1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1 ZINC000903905956 690984901 /nfs/dbraw/zinc/98/49/01/690984901.db2.gz QGHDGUUFQAZOPT-ZETCQYMHSA-N 1 0 359.289 2.487 20 30 FEEDRO C[NH+]1CCC(OCC(=O)OCc2cc(Br)cc(C#N)c2)CC1 ZINC000904958459 691055008 /nfs/dbraw/zinc/05/50/08/691055008.db2.gz GRBSCDIQHZTZAO-UHFFFAOYSA-N 1 0 367.243 2.475 20 30 FEEDRO N#Cc1ccccc1OC[C@H](O)C[NH2+]CC[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC000905557064 691140020 /nfs/dbraw/zinc/14/00/20/691140020.db2.gz RTBKGIBOBCQXNR-IJEWVQPXSA-N 1 0 358.360 2.388 20 30 FEEDRO CN(CCC#N)C[C@@H](O)C[NH+]1CC(Cc2cccc(Br)c2)C1 ZINC000905977324 691204999 /nfs/dbraw/zinc/20/49/99/691204999.db2.gz HFMJLXOQRDZKNF-QGZVFWFLSA-N 1 0 366.303 2.130 20 30 FEEDRO C#Cc1ccc(S(=O)(=O)NCc2cc(C)nc(N3CCCC3)c2)cc1 ZINC000907199068 691420598 /nfs/dbraw/zinc/42/05/98/691420598.db2.gz PMBHARWCOHGWSK-UHFFFAOYSA-N 1 0 355.463 2.450 20 30 FEEDRO C=CCn1c(-c2cnsn2)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000908712774 691716996 /nfs/dbraw/zinc/71/69/96/691716996.db2.gz NUSQFLOXURYGSI-AWEZNQCLSA-N 1 0 359.503 2.295 20 30 FEEDRO Cc1c(F)ccc2nc(Cl)c(C#N)c(N3CCN4CC[NH2+]C[C@@H]4C3)c12 ZINC001164400313 718844974 /nfs/dbraw/zinc/84/49/74/718844974.db2.gz WEWHKNVYGIXKDF-GFCCVEGCSA-N 1 0 359.836 2.301 20 30 FEEDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncc(C#N)cc1C#N)C2 ZINC001164806382 720094154 /nfs/dbraw/zinc/09/41/54/720094154.db2.gz BTZGDOYKFYYYIG-ICSRJNTNSA-N 1 0 351.454 2.010 20 30 FEEDRO Cc1ccnc(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c1C#N ZINC001164824582 720298125 /nfs/dbraw/zinc/29/81/25/720298125.db2.gz RTTFKMVPRLLLOK-RBUKOAKNSA-N 1 0 367.497 2.173 20 30 FEEDRO C=CCNC(=O)c1cccnc1N1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164732043 720436088 /nfs/dbraw/zinc/43/60/88/720436088.db2.gz MWZSBYKIXZFSPI-MOPGFXCFSA-N 1 0 363.465 2.246 20 30 FEEDRO C[NH+](C)C[C@H]1Cn2ccnc2CN(c2nc3c(cc2C#N)CCCC3)C1 ZINC001164734553 720523979 /nfs/dbraw/zinc/52/39/79/720523979.db2.gz QGDGZJCXDQUXGW-HNNXBMFYSA-N 1 0 350.470 2.227 20 30 FEEDRO N#Cc1ccc2ccnc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)c2c1 ZINC001164741592 720676853 /nfs/dbraw/zinc/67/68/53/720676853.db2.gz UHRUFVVHCAJLGU-QZTJIDSGSA-N 1 0 372.432 2.238 20 30 FEEDRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ncnc5ccc(C#N)cc54)C[C@@H]3C2)cn1 ZINC001164761053 721091949 /nfs/dbraw/zinc/09/19/49/721091949.db2.gz ALNHMURJKAABKW-ROUUACIJSA-N 1 0 373.464 2.193 20 30 FEEDRO Cc1cc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)nc(C#N)n1 ZINC001164903343 721539127 /nfs/dbraw/zinc/53/91/27/721539127.db2.gz CDFBZGAKXSZZTQ-DOTOQJQBSA-N 1 0 353.401 2.138 20 30 FEEDRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2ccc(Cl)c(C#N)n2)CC1 ZINC001165007311 721731288 /nfs/dbraw/zinc/73/12/88/721731288.db2.gz BFCCEHKGBDTEAT-UHFFFAOYSA-N 1 0 361.877 2.130 20 30 FEEDRO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2C(F)(F)c1cc(Cl)ncc1C#N ZINC001164921476 721865617 /nfs/dbraw/zinc/86/56/17/721865617.db2.gz CYNKAQFVWWERAZ-GJZGRUSLSA-N 1 0 369.847 2.366 20 30 FEEDRO CC[N@@H+]1CCCN(C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CC1 ZINC000513101398 810775324 /nfs/dbraw/zinc/77/53/24/810775324.db2.gz GQOVOUJHBKMLNE-UHFFFAOYSA-N 1 0 356.405 2.443 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)C(C)(C)c2ccc3c(c2)OCO3)c1C#N ZINC000514652728 815918263 /nfs/dbraw/zinc/91/82/63/815918263.db2.gz YMXRIFNKTQWJJH-UHFFFAOYSA-N 1 0 369.425 2.078 20 30 FEEDRO Cc1ccc(NC(=O)CNc2ccc(C#N)cn2)c(OCC[NH+](C)C)c1 ZINC000497740509 883596403 /nfs/dbraw/zinc/59/64/03/883596403.db2.gz PRVBFCBIVZAKBO-UHFFFAOYSA-N 1 0 353.426 2.253 20 30 FEEDRO N#Cc1ccc(NCC(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)nc1 ZINC000497870434 887706446 /nfs/dbraw/zinc/70/64/46/887706446.db2.gz WPRQEEUSOWKSHA-INIZCTEOSA-N 1 0 369.494 2.455 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)c1cc(I)ccc1F ZINC000818599485 675227549 /nfs/dbraw/zinc/22/75/49/675227549.db2.gz SVNORLDSBCTJLA-UHFFFAOYSA-N 1 0 374.197 2.115 20 30 FEEDRO C#CCOc1ccc(C[NH2+]CCS(=O)(=O)CCc2ccccc2)cc1 ZINC000800312071 674040954 /nfs/dbraw/zinc/04/09/54/674040954.db2.gz WRVPLDJKWJSWEM-UHFFFAOYSA-N 1 0 357.475 2.446 20 30 FEEDRO N#Cc1ccc(C[N@H+]2CCCN(Cc3cc(=O)n4ccccc4n3)CC2)cc1 ZINC000021405852 539682990 /nfs/dbraw/zinc/68/29/90/539682990.db2.gz LVKLZFMQHRDLPT-UHFFFAOYSA-N 1 0 373.460 2.274 20 30 FEEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[NH+]2CCC(C(N)=O)CC2)c1 ZINC000025525590 539762408 /nfs/dbraw/zinc/76/24/08/539762408.db2.gz DBGJVGPUIXHBGE-MRXNPFEDSA-N 1 0 356.470 2.136 20 30 FEEDRO C=CCOc1ccc(C(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)cc1OC ZINC000032269424 539933496 /nfs/dbraw/zinc/93/34/96/539933496.db2.gz KOAZGNYGUVFTEC-KRWDZBQOSA-N 1 0 362.470 2.347 20 30 FEEDRO COc1ccccc1NC(=O)C1CC[NH+]([C@H](C)C(=O)N(C)CCC#N)CC1 ZINC000042133665 540052942 /nfs/dbraw/zinc/05/29/42/540052942.db2.gz CCEBMMNGLROXRX-OAHLLOKOSA-N 1 0 372.469 2.106 20 30 FEEDRO COc1cc(C#N)ccc1OCCCC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000076272833 542253704 /nfs/dbraw/zinc/25/37/04/542253704.db2.gz GBJOMFSWZYXFHG-INIZCTEOSA-N 1 0 357.454 2.326 20 30 FEEDRO C[NH+](C)CCOc1cccc(CNC(=O)NCC#Cc2ccccc2)c1 ZINC000045430898 540212687 /nfs/dbraw/zinc/21/26/87/540212687.db2.gz YZLXMYYYLFBIDC-UHFFFAOYSA-N 1 0 351.450 2.478 20 30 FEEDRO COc1ncccc1CNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000045965834 540235916 /nfs/dbraw/zinc/23/59/16/540235916.db2.gz JLQLBDCBGKNTLX-UHFFFAOYSA-N 1 0 367.453 2.235 20 30 FEEDRO C[N@@H+](Cc1ccc2c(c1)OCCO2)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000046343131 540252498 /nfs/dbraw/zinc/25/24/98/540252498.db2.gz IVWSWGMBKKQTQK-QGZVFWFLSA-N 1 0 354.406 2.201 20 30 FEEDRO CC1CC[NH+](CCNC(=O)N2CCN(c3cccc(F)c3C#N)CC2)CC1 ZINC000046369733 540253786 /nfs/dbraw/zinc/25/37/86/540253786.db2.gz IFZUOUNFHBKYBR-UHFFFAOYSA-N 1 0 373.476 2.261 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc([S@](C)=O)cc1 ZINC000047011744 540284759 /nfs/dbraw/zinc/28/47/59/540284759.db2.gz TUMFJWICEWRKLA-AREMUKBSSA-N 1 0 369.490 2.500 20 30 FEEDRO Cc1c([C@@H](C)NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cnn1C ZINC000047006351 540284248 /nfs/dbraw/zinc/28/42/48/540284248.db2.gz ZFCDAFIXLHRSSB-OAHLLOKOSA-N 1 0 368.485 2.435 20 30 FEEDRO C=CCNC(=O)c1ccc(NC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)cc1 ZINC000048159436 540348362 /nfs/dbraw/zinc/34/83/62/540348362.db2.gz BXMWAQZUYHXGCV-GOSISDBHSA-N 1 0 374.485 2.081 20 30 FEEDRO COc1ccc(C#N)cc1NC(=O)C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000050173935 540402314 /nfs/dbraw/zinc/40/23/14/540402314.db2.gz HWQQQWNTOMYMIR-AWEZNQCLSA-N 1 0 372.469 2.132 20 30 FEEDRO C=CCNC(=O)NC(=O)[C@H](C)[N@H+](C)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000051132417 540423566 /nfs/dbraw/zinc/42/35/66/540423566.db2.gz XPWPPPIPNRSYAC-RYQLBKOJSA-N 1 0 359.470 2.486 20 30 FEEDRO CCCCNC(=O)C1CC[NH+](C[C@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000051182653 540425872 /nfs/dbraw/zinc/42/58/72/540425872.db2.gz KXMZCPSDNSWZFR-IBGZPJMESA-N 1 0 373.497 2.121 20 30 FEEDRO N#Cc1c2c(sc1NC(=O)CCN1CC[NH+](CC3CC3)CC1)CCC2 ZINC000053238006 540519747 /nfs/dbraw/zinc/51/97/47/540519747.db2.gz BEWVKLDOYNRZAR-UHFFFAOYSA-N 1 0 358.511 2.465 20 30 FEEDRO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000053775345 540553801 /nfs/dbraw/zinc/55/38/01/540553801.db2.gz ZBGADBVRVHOEKI-QGZVFWFLSA-N 1 0 358.486 2.215 20 30 FEEDRO C[C@@H](C(=O)Nc1c(F)cccc1F)[N@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000536340527 540580569 /nfs/dbraw/zinc/58/05/69/540580569.db2.gz DXQSNYKDZLSFDV-JTQLQIEISA-N 1 0 362.384 2.033 20 30 FEEDRO Cc1noc(C2CC[NH+](C[C@@H](O)COc3ccc(CC#N)cc3)CC2)n1 ZINC000054347417 540584054 /nfs/dbraw/zinc/58/40/54/540584054.db2.gz JIETYZDITOTWOX-QGZVFWFLSA-N 1 0 356.426 2.063 20 30 FEEDRO CC(C)C[C@@H](CNC(=O)C(=O)Nc1cc(C#N)ccc1OC(C)C)[NH+](C)C ZINC000054848899 540614361 /nfs/dbraw/zinc/61/43/61/540614361.db2.gz JPDRWAWGMWXFMY-INIZCTEOSA-N 1 0 374.485 2.376 20 30 FEEDRO Cc1cc(=NC(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)[nH]n1CCC#N ZINC000538616767 540873246 /nfs/dbraw/zinc/87/32/46/540873246.db2.gz XMFALOHRCOLEKJ-KRWDZBQOSA-N 1 0 354.458 2.400 20 30 FEEDRO C=CCOc1ccc(/C=C/C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc1OC ZINC000061649920 541136852 /nfs/dbraw/zinc/13/68/52/541136852.db2.gz PZWIBOOHIXICIC-XJMNNFRSSA-N 1 0 372.465 2.253 20 30 FEEDRO N#Cc1ccccc1NC(=O)CC[N@@H+](CCC(N)=O)Cc1ccccc1 ZINC000063483653 541170957 /nfs/dbraw/zinc/17/09/57/541170957.db2.gz PKSLBQIPFWFYLR-UHFFFAOYSA-N 1 0 350.422 2.264 20 30 FEEDRO CC(C)[N@H+](CC(=O)NC(=O)NCC(F)(F)F)Cc1ccc(C#N)cc1 ZINC000063750848 541183652 /nfs/dbraw/zinc/18/36/52/541183652.db2.gz RTCPZTPNYNFKAJ-UHFFFAOYSA-N 1 0 356.348 2.157 20 30 FEEDRO COc1cn(-c2ccccc2)nc1C(=O)N(CCC#N)CCC[NH+](C)C ZINC000064361673 541203118 /nfs/dbraw/zinc/20/31/18/541203118.db2.gz MOVABFMOKGRJLE-UHFFFAOYSA-N 1 0 355.442 2.188 20 30 FEEDRO N#CCCN(C(=O)CCC(=O)N[C@H]1CC[N@H+](CC2CC2)C1)c1ccccc1 ZINC000066638900 541352789 /nfs/dbraw/zinc/35/27/89/541352789.db2.gz JYCARHVTPMYXHF-SFHVURJKSA-N 1 0 368.481 2.314 20 30 FEEDRO C[N@H+](CCNC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1)Cc1ccccc1 ZINC000067379818 541452784 /nfs/dbraw/zinc/45/27/84/541452784.db2.gz ALMUSMJBHKWDMR-UHFFFAOYSA-N 1 0 370.840 2.398 20 30 FEEDRO C[C@H](CNC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1)[NH+]1CCC(C)CC1 ZINC000067764151 541510456 /nfs/dbraw/zinc/51/04/56/541510456.db2.gz LEQMYSOOIRSWDT-CYBMUJFWSA-N 1 0 362.861 2.387 20 30 FEEDRO N#CCCN(C(=O)CCC(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1ccccc1 ZINC000068280387 541571974 /nfs/dbraw/zinc/57/19/74/541571974.db2.gz VGWABEKGNITFFJ-RBUKOAKNSA-N 1 0 368.481 2.456 20 30 FEEDRO CC(C)[NH+](CCNC(=O)C1CCN(c2ncccc2C#N)CC1)C(C)C ZINC000068997060 541647253 /nfs/dbraw/zinc/64/72/53/541647253.db2.gz OBRFSLHMAVTFGC-UHFFFAOYSA-N 1 0 357.502 2.405 20 30 FEEDRO C[C@H](OC[C@@H]1CCCCO1)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000069354569 541679948 /nfs/dbraw/zinc/67/99/48/541679948.db2.gz CMIOLGWCTRMLGU-PXNSSMCTSA-N 1 0 373.497 2.423 20 30 FEEDRO N#Cc1ccc(SCC(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000069710261 541706851 /nfs/dbraw/zinc/70/68/51/541706851.db2.gz NBAYKLRUZSXXGZ-KRWDZBQOSA-N 1 0 359.495 2.221 20 30 FEEDRO COCCOC[C@H]1CC[N@@H+]([C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1 ZINC000072796256 541866391 /nfs/dbraw/zinc/86/63/91/541866391.db2.gz GAJSIWJJTBCTDK-NNVNDSJASA-N 1 0 365.518 2.291 20 30 FEEDRO Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000545198071 541900687 /nfs/dbraw/zinc/90/06/87/541900687.db2.gz AXDJJZXDPKTKMJ-MRXNPFEDSA-N 1 0 365.441 2.149 20 30 FEEDRO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCC(NC(=O)c2ccccc2)CC1 ZINC000073648602 541980711 /nfs/dbraw/zinc/98/07/11/541980711.db2.gz CKQVMSUPNDBFEC-QGZVFWFLSA-N 1 0 355.482 2.470 20 30 FEEDRO CCN1CC[C@@H]([NH2+]CC(=O)NCCC#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000801958066 674157118 /nfs/dbraw/zinc/15/71/18/674157118.db2.gz WHKZKHLNJNCJLN-NVXWUHKLSA-N 1 0 352.841 2.234 20 30 FEEDRO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N1CC[NH+](CC2CC2)CC1 ZINC000080051631 542560826 /nfs/dbraw/zinc/56/08/26/542560826.db2.gz CJCGROHRXVNBQI-QGZVFWFLSA-N 1 0 370.497 2.358 20 30 FEEDRO N#CCCCOc1cccc(NC(=O)C(=O)NCC[NH+]2CCCCCC2)c1 ZINC000080172023 542570944 /nfs/dbraw/zinc/57/09/44/542570944.db2.gz GTJCPZZNBXNXFM-UHFFFAOYSA-N 1 0 372.469 2.300 20 30 FEEDRO C=CCN1C(=O)c2ccc(C(=O)N3CC[C@H](C[N@@H+](C)CCC)C3)cc2C1=O ZINC000081360978 542650639 /nfs/dbraw/zinc/65/06/39/542650639.db2.gz RYPBQPIXVWKGKR-OAHLLOKOSA-N 1 0 369.465 2.273 20 30 FEEDRO C[NH+](C)CCN1C[C@@H](C(=O)N[C@H](C#N)c2ccc(C(C)(C)C)cc2)CC1=O ZINC000081368467 542651490 /nfs/dbraw/zinc/65/14/90/542651490.db2.gz PVIWVJNFYGUHMJ-FUHWJXTLSA-N 1 0 370.497 2.075 20 30 FEEDRO CCN(Cc1ccccc1)C(=O)CNC(=[NH2+])N[C@H]1CCOc2ccccc21 ZINC000083033545 542690351 /nfs/dbraw/zinc/69/03/51/542690351.db2.gz CHFVUNDEIWNJMB-SFHVURJKSA-N 1 0 366.465 2.463 20 30 FEEDRO Cc1ccc(C(=O)NCCNC(=[NH2+])N[C@H]2CCOc3ccccc32)cc1F ZINC000083030807 542690512 /nfs/dbraw/zinc/69/05/12/542690512.db2.gz KMLOJJBXLYNDRM-KRWDZBQOSA-N 1 0 370.428 2.292 20 30 FEEDRO [NH2+]=C(NCCCNC(=O)c1cccs1)N[C@@H]1CCOc2ccccc21 ZINC000083035155 542690586 /nfs/dbraw/zinc/69/05/86/542690586.db2.gz OXNDZCPHVNKTRK-CQSZACIVSA-N 1 0 358.467 2.296 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2cc(=O)[nH]c3ccccc23)CC1 ZINC000085403141 542726221 /nfs/dbraw/zinc/72/62/21/542726221.db2.gz DGMSRGZSOVVXIT-UHFFFAOYSA-N 1 0 354.454 2.368 20 30 FEEDRO C[NH+](C)CCN(Cc1ccco1)C(=O)NCCOc1ccc(C#N)cc1 ZINC000088595279 542753848 /nfs/dbraw/zinc/75/38/48/542753848.db2.gz VHZBWFULHISSRO-UHFFFAOYSA-N 1 0 356.426 2.303 20 30 FEEDRO N#CCOc1cccc(CC(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)c1 ZINC000089777727 542770387 /nfs/dbraw/zinc/77/03/87/542770387.db2.gz PQPKUHKFVGCDCV-VQTJNVASSA-N 1 0 371.481 2.016 20 30 FEEDRO CSc1ccc(NC(=O)C[N@H+](C)CCCc2[nH]nc(N)c2C#N)cc1 ZINC000089943667 542775996 /nfs/dbraw/zinc/77/59/96/542775996.db2.gz AGPAXOGBWKYUAU-UHFFFAOYSA-N 1 0 358.471 2.089 20 30 FEEDRO CC[NH+]1CCN(CC(=O)NCc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC000091101401 542794284 /nfs/dbraw/zinc/79/42/84/542794284.db2.gz QAFVKZBEWWFVPC-UHFFFAOYSA-N 1 0 362.477 2.479 20 30 FEEDRO CC[NH+](CC)CC(=O)N1CCN(c2ccc3cc(C#N)ccc3n2)CC1 ZINC000092895138 542894499 /nfs/dbraw/zinc/89/44/99/542894499.db2.gz TUKNYDCOXHZODW-UHFFFAOYSA-N 1 0 351.454 2.097 20 30 FEEDRO COCc1cc(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)ncn1 ZINC000093319899 542925886 /nfs/dbraw/zinc/92/58/86/542925886.db2.gz KSZDZSAJNZBKBH-UHFFFAOYSA-N 1 0 368.441 2.090 20 30 FEEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000103143005 543093894 /nfs/dbraw/zinc/09/38/94/543093894.db2.gz CZFZQVNPQNNCOE-QGZVFWFLSA-N 1 0 372.513 2.231 20 30 FEEDRO C[NH+](C)CCCOc1ccc(CNS(=O)(=O)c2cccc(C#N)c2)cc1 ZINC000103162877 543095550 /nfs/dbraw/zinc/09/55/50/543095550.db2.gz UTLQWMHXOUHJLH-UHFFFAOYSA-N 1 0 373.478 2.367 20 30 FEEDRO N#CCCN(C(=O)C[N@H+]1CCCC[C@@H]1CC(N)=O)c1cccc(Cl)c1 ZINC000103286784 543101167 /nfs/dbraw/zinc/10/11/67/543101167.db2.gz FLZWAXJBYXUCRA-OAHLLOKOSA-N 1 0 362.861 2.317 20 30 FEEDRO N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCCC[C@@H]1CC(N)=O)CCC2 ZINC000103471736 543109328 /nfs/dbraw/zinc/10/93/28/543109328.db2.gz MUYRELBUKQIVGQ-GFCCVEGCSA-N 1 0 360.483 2.167 20 30 FEEDRO Cc1ccc(NC(=[NH2+])NCCCN2CCN(c3ncccn3)CC2)cc1C ZINC000104161277 543125406 /nfs/dbraw/zinc/12/54/06/543125406.db2.gz FRIZGUOKZVOAGP-UHFFFAOYSA-N 1 0 367.501 2.032 20 30 FEEDRO COc1cccc(NC(=[NH2+])NC[C@H]2CN(Cc3ccccc3)CCO2)c1 ZINC000104154552 543125451 /nfs/dbraw/zinc/12/54/51/543125451.db2.gz HOJTWYOTFIIXKA-IBGZPJMESA-N 1 0 354.454 2.323 20 30 FEEDRO CC(C)(C#N)c1ccc(NC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000104997004 543154015 /nfs/dbraw/zinc/15/40/15/543154015.db2.gz DSVRWUQSRSMURF-HNNXBMFYSA-N 1 0 371.485 2.197 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)c2ccc(-c3ccncc3)[nH]c2=O)CC1 ZINC000106034018 543186164 /nfs/dbraw/zinc/18/61/64/543186164.db2.gz UENZGIZSARAMPC-UHFFFAOYSA-N 1 0 352.438 2.207 20 30 FEEDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N2CCO[C@H](C#N)C2)cc1 ZINC000106330794 543223637 /nfs/dbraw/zinc/22/36/37/543223637.db2.gz XCJSWJRUNMTNII-QFBILLFUSA-N 1 0 356.470 2.495 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N2CCC([C@H](O)c3ccc(F)cc3)CC2)CC1 ZINC000108458630 543290543 /nfs/dbraw/zinc/29/05/43/543290543.db2.gz ROJJJFOUPSKFJJ-HXUWFJFHSA-N 1 0 358.457 2.443 20 30 FEEDRO N#CCCSc1ccccc1NC(=O)C(=O)NCC[NH+]1CCCCC1 ZINC000108605507 543297106 /nfs/dbraw/zinc/29/71/06/543297106.db2.gz BWDRDHLIMJUOJJ-UHFFFAOYSA-N 1 0 360.483 2.233 20 30 FEEDRO COc1ccccc1[C@H](CNC(=O)C1(C#N)CCOCC1)[NH+]1CCCC1 ZINC000109138444 543315575 /nfs/dbraw/zinc/31/55/75/543315575.db2.gz YVPSCYAOWSQWKC-KRWDZBQOSA-N 1 0 357.454 2.269 20 30 FEEDRO C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)C3(C#N)CCOCC3)cc2)C[C@H](C)O1 ZINC000109139694 543315737 /nfs/dbraw/zinc/31/57/37/543315737.db2.gz DJVVZGDVLOAFNN-CALCHBBNSA-N 1 0 371.481 2.232 20 30 FEEDRO C[C@@H](Oc1ccc(C#N)cc1)C(=O)NCC1([NH+]2CCCCC2)CCOCC1 ZINC000109981613 543345414 /nfs/dbraw/zinc/34/54/14/543345414.db2.gz RXKUDTPDTLFEDV-QGZVFWFLSA-N 1 0 371.481 2.477 20 30 FEEDRO COc1ccc(OC)c(C[N@H+](CCO)CCOc2cccc(C#N)c2)c1 ZINC000111271446 543391394 /nfs/dbraw/zinc/39/13/94/543391394.db2.gz NGSUNAMRENWJMN-UHFFFAOYSA-N 1 0 356.422 2.449 20 30 FEEDRO COc1ccc(C[N@H+](CCO)CCOc2ccccc2C#N)c(OC)c1 ZINC000111322014 543396445 /nfs/dbraw/zinc/39/64/45/543396445.db2.gz QLIMMSFVGJJBTJ-UHFFFAOYSA-N 1 0 356.422 2.449 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1ccc2c(c1)[nH]c(=O)n2C)C(C)C ZINC000112919887 543468756 /nfs/dbraw/zinc/46/87/56/543468756.db2.gz VPRDOKKFESAITF-SFHVURJKSA-N 1 0 356.470 2.295 20 30 FEEDRO N#C[C@H]1CN(C(=O)NC2CC[NH+](C3CC3)CC2)CCN1Cc1ccccc1 ZINC000114585238 543524788 /nfs/dbraw/zinc/52/47/88/543524788.db2.gz JQAXNKORJHTIMI-FQEVSTJZSA-N 1 0 367.497 2.033 20 30 FEEDRO C[NH+]1CCC(CCNC(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)CC1 ZINC000114595418 543524973 /nfs/dbraw/zinc/52/49/73/543524973.db2.gz DHKZCIHOQMURCW-HXUWFJFHSA-N 1 0 369.513 2.138 20 30 FEEDRO N#Cc1ccc([C@H]([NH2+][C@H]2CCN(c3ccc(F)cc3F)C2)C(N)=O)cc1 ZINC000115599728 543577772 /nfs/dbraw/zinc/57/77/72/543577772.db2.gz IOZJVFRDYUVCAQ-YJBOKZPZSA-N 1 0 356.376 2.231 20 30 FEEDRO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccc(F)c(C#N)c1)c1ccc(F)cc1 ZINC000118092638 543644427 /nfs/dbraw/zinc/64/44/27/543644427.db2.gz PYZUUCZVJSPPCY-QGZVFWFLSA-N 1 0 372.375 2.194 20 30 FEEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000118105494 543645708 /nfs/dbraw/zinc/64/57/08/543645708.db2.gz LQHZXCFFSGADRQ-UONOGXRCSA-N 1 0 360.483 2.087 20 30 FEEDRO CC[N@H+](CCNC(=O)C(=O)Nc1ccccc1SCCC#N)C1CC1 ZINC000118120906 543647076 /nfs/dbraw/zinc/64/70/76/543647076.db2.gz YNQBUKXAITVFGF-UHFFFAOYSA-N 1 0 360.483 2.231 20 30 FEEDRO N#CCCN(CCC#N)C(=O)CN1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000118834236 543660150 /nfs/dbraw/zinc/66/01/50/543660150.db2.gz XBOFZWVAFOTDFX-LJQANCHMSA-N 1 0 359.518 2.230 20 30 FEEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000118898986 543661361 /nfs/dbraw/zinc/66/13/61/543661361.db2.gz YXSRGFOMCATKJQ-HUUCEWRRSA-N 1 0 374.510 2.477 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)[C@@H]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000119357964 543666643 /nfs/dbraw/zinc/66/66/43/543666643.db2.gz AZLPILQEVNGECG-GFCCVEGCSA-N 1 0 371.407 2.227 20 30 FEEDRO C=CCOc1cccc(NC(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)c1 ZINC000122044905 543702451 /nfs/dbraw/zinc/70/24/51/543702451.db2.gz YJIUINULIHADLZ-QAPCUYQASA-N 1 0 357.454 2.133 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1ccc(OC(C)(C)C)cc1 ZINC000122109061 543703930 /nfs/dbraw/zinc/70/39/30/543703930.db2.gz XUZGUGVSBRKBAF-UHFFFAOYSA-N 1 0 374.485 2.496 20 30 FEEDRO CCC(CC)[C@@H](C[NH2+]Cc1cnc2ccc(C#N)cn12)N1CCOCC1 ZINC000123255963 543751152 /nfs/dbraw/zinc/75/11/52/543751152.db2.gz OSBCQGZYJMGETE-LJQANCHMSA-N 1 0 355.486 2.433 20 30 FEEDRO C=CCOc1cccc(NC(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000123297024 543753200 /nfs/dbraw/zinc/75/32/00/543753200.db2.gz UHRCMEPJJWEQJW-INIZCTEOSA-N 1 0 357.454 2.134 20 30 FEEDRO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)cc1 ZINC000124451417 543822838 /nfs/dbraw/zinc/82/28/38/543822838.db2.gz YJZPOGQOFAEEOP-AEFFLSMTSA-N 1 0 357.454 2.048 20 30 FEEDRO CN(C(=O)CSCC#N)[C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000124778280 543842697 /nfs/dbraw/zinc/84/26/97/543842697.db2.gz OOSKEMYMULGFSV-IRXDYDNUSA-N 1 0 352.548 2.039 20 30 FEEDRO CN(C(=O)c1ccc(C#N)[nH]1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000124845295 543846881 /nfs/dbraw/zinc/84/68/81/543846881.db2.gz ACIGBYUFAFEGJN-OALUTQOASA-N 1 0 357.502 2.296 20 30 FEEDRO N#Cc1cc(F)c(S(=O)(=O)N2CCC[C@@H]([NH+]3CCCCC3)C2)c(F)c1 ZINC000125267061 543871910 /nfs/dbraw/zinc/87/19/10/543871910.db2.gz KEJJXVOVZRIPKS-CQSZACIVSA-N 1 0 369.437 2.475 20 30 FEEDRO C[NH+](C)CC[C@H]([N-]S(=O)(=O)c1c(F)cc(C#N)cc1F)C(C)(C)C ZINC000125489931 543884288 /nfs/dbraw/zinc/88/42/88/543884288.db2.gz YGMKJGRPMDHKGB-AWEZNQCLSA-N 1 0 359.442 2.481 20 30 FEEDRO C=CCC[C@H](O)C[N@H+]1CCCN(C(=O)CCc2ccc(OC)cc2)CC1 ZINC000126209389 543923843 /nfs/dbraw/zinc/92/38/43/543923843.db2.gz IHXFQCUYNSNNSQ-IBGZPJMESA-N 1 0 360.498 2.489 20 30 FEEDRO C=CCOc1cc(OC)ccc1C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000127675511 544007596 /nfs/dbraw/zinc/00/75/96/544007596.db2.gz UMWOYUAXTPEUGG-KRWDZBQOSA-N 1 0 374.481 2.444 20 30 FEEDRO C[C@H]1CCC[N@@H+]1C1CCN(CCS(=O)(=O)c2cccc(C#N)c2)CC1 ZINC000128709708 544067785 /nfs/dbraw/zinc/06/77/85/544067785.db2.gz DTHGVYPOOWYGTQ-INIZCTEOSA-N 1 0 361.511 2.281 20 30 FEEDRO CN1CCC([NH+]2CCC(NC(=O)c3c(F)cc(C#N)cc3F)CC2)CC1 ZINC000130546027 544155660 /nfs/dbraw/zinc/15/56/60/544155660.db2.gz JZXZYGRURQBSFJ-UHFFFAOYSA-N 1 0 362.424 2.125 20 30 FEEDRO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N2CCN(c3ccccc3C#N)CC2)C1 ZINC000132261638 544224519 /nfs/dbraw/zinc/22/45/19/544224519.db2.gz OIABUYZZYPYFAX-AEFFLSMTSA-N 1 0 355.486 2.119 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(NC(C)=O)ccc2Cl)c1C#N ZINC000133525555 544273716 /nfs/dbraw/zinc/27/37/16/544273716.db2.gz MJELYYRQOCUZGX-UHFFFAOYSA-N 1 0 374.832 2.297 20 30 FEEDRO C=C[C@H](C)NC(=O)C(=O)Nc1cc(Cl)ccc1N1CC[NH+](CC)CC1 ZINC000133911323 544287448 /nfs/dbraw/zinc/28/74/48/544287448.db2.gz SZLIFFDSEJSJDR-ZDUSSCGKSA-N 1 0 364.877 2.111 20 30 FEEDRO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@@H](C)[C@@H]2CO)cc1 ZINC000133002765 544252249 /nfs/dbraw/zinc/25/22/49/544252249.db2.gz JGTPBAOEIUJNQG-APWZRJJASA-N 1 0 359.470 2.425 20 30 FEEDRO C[NH+](C)Cc1cccc(NC(=O)C(=O)N(CCC#N)Cc2ccccn2)c1 ZINC000133074130 544254666 /nfs/dbraw/zinc/25/46/66/544254666.db2.gz DAUXOUVDZVGKAC-UHFFFAOYSA-N 1 0 365.437 2.024 20 30 FEEDRO COCc1nc2n(n1)C[C@H]([NH2+]Cc1cccc(OCCCC#N)c1)CC2 ZINC000151533329 544553217 /nfs/dbraw/zinc/55/32/17/544553217.db2.gz BZRAJKDOFILWEP-MRXNPFEDSA-N 1 0 355.442 2.212 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)cc1Cl ZINC000151644682 544565737 /nfs/dbraw/zinc/56/57/37/544565737.db2.gz DPCOEARFSBVLMB-ZDUSSCGKSA-N 1 0 353.875 2.318 20 30 FEEDRO CN(C(=O)c1ccc(NC(=O)CSCC#N)cc1)[C@H]1CCC[N@H+](C)C1 ZINC000151801341 544582115 /nfs/dbraw/zinc/58/21/15/544582115.db2.gz FEIZBMOYQYTOCZ-INIZCTEOSA-N 1 0 360.483 2.048 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cnn(CCCC)c2C)CC1 ZINC000152601919 544672409 /nfs/dbraw/zinc/67/24/09/544672409.db2.gz AHIGIYIUNORCRR-UHFFFAOYSA-N 1 0 361.490 2.087 20 30 FEEDRO CCO[C@@H]1C[C@H](O)C12CC[NH+](CCC(=O)Nc1ccc(C#N)cc1)CC2 ZINC000152945489 544714863 /nfs/dbraw/zinc/71/48/63/544714863.db2.gz FQSVXOIXNDBKKV-ZWKOTPCHSA-N 1 0 357.454 2.139 20 30 FEEDRO CSc1ccccc1NC(=O)[C@H](C)[N@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000153274472 544754969 /nfs/dbraw/zinc/75/49/69/544754969.db2.gz ZMVUGENMIHTYPI-LBPRGKRZSA-N 1 0 372.498 2.477 20 30 FEEDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N2CC(Oc3ccc(C#N)cc3)C2)C1 ZINC000153511445 544784268 /nfs/dbraw/zinc/78/42/68/544784268.db2.gz OMCDXKGTHZOBGB-KRWDZBQOSA-N 1 0 356.470 2.309 20 30 FEEDRO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+]1CC[C@]2(CCOC2)C1 ZINC000153525601 544786450 /nfs/dbraw/zinc/78/64/50/544786450.db2.gz BDHXIWGAQHZQPS-UZLBHIALSA-N 1 0 357.454 2.443 20 30 FEEDRO C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000154413638 544903394 /nfs/dbraw/zinc/90/33/94/544903394.db2.gz BWTBZSBYTSAUHL-CVEARBPZSA-N 1 0 372.469 2.249 20 30 FEEDRO CC[C@@H](CO)[NH+]1CCN(C(=O)CCCCOc2cccc(C#N)c2)CC1 ZINC000179416246 327641976 /nfs/dbraw/zinc/64/19/76/327641976.db2.gz JXYOHPSEKRPHHS-SFHVURJKSA-N 1 0 359.470 2.022 20 30 FEEDRO N#Cc1ccc(C[NH2+]Cc2cccnc2N2CCC(C(N)=O)CC2)s1 ZINC000553771904 674284913 /nfs/dbraw/zinc/28/49/13/674284913.db2.gz QZTYAQHNCXKYNW-UHFFFAOYSA-N 1 0 355.467 2.006 20 30 FEEDRO CCOC(=O)N1CC[C@H]([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)C1 ZINC000186450035 327962420 /nfs/dbraw/zinc/96/24/20/327962420.db2.gz LHUBDAAJLHWFCS-IBGZPJMESA-N 1 0 356.470 2.343 20 30 FEEDRO Cc1nc(C#N)c(N2CCC(C(=O)N[C@H](C)C[NH+]3CCCCC3)CC2)o1 ZINC000189064039 328126467 /nfs/dbraw/zinc/12/64/67/328126467.db2.gz WLYNZFALWQEXBZ-CQSZACIVSA-N 1 0 359.474 2.062 20 30 FEEDRO N#Cc1cc(NC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)ccc1F ZINC000189394106 328145342 /nfs/dbraw/zinc/14/53/42/328145342.db2.gz RVVUURAEAUDWGM-MRXNPFEDSA-N 1 0 358.417 2.113 20 30 FEEDRO CCCN(CCC[NH+](C)C)C(=O)C(=O)Nc1cc(C#N)ccc1OCC ZINC000190165124 328192172 /nfs/dbraw/zinc/19/21/72/328192172.db2.gz MZJDHGMLKAVMDD-UHFFFAOYSA-N 1 0 360.458 2.086 20 30 FEEDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)C1 ZINC000193117372 328358473 /nfs/dbraw/zinc/35/84/73/328358473.db2.gz JWVONBZWXGJLJE-HUUCEWRRSA-N 1 0 359.474 2.042 20 30 FEEDRO COc1cc(C[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)ccc1O ZINC000195003589 328451138 /nfs/dbraw/zinc/45/11/38/328451138.db2.gz YWBJEYXIAIINDZ-KRWDZBQOSA-N 1 0 351.406 2.163 20 30 FEEDRO CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@@H](C[NH+](CC)CC)C1 ZINC000076645985 324957936 /nfs/dbraw/zinc/95/79/36/324957936.db2.gz GZJGIZLFFHRWJC-INIZCTEOSA-N 1 0 372.469 2.086 20 30 FEEDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000081364654 325171871 /nfs/dbraw/zinc/17/18/71/325171871.db2.gz STQDMVRAALKHIB-CYBMUJFWSA-N 1 0 362.861 2.340 20 30 FEEDRO COc1cc(C#N)ccc1OCC(=O)N(CC[NH+](C)C)Cc1ccco1 ZINC000088250833 325289301 /nfs/dbraw/zinc/28/93/01/325289301.db2.gz GXHGGEWRDTTZCR-UHFFFAOYSA-N 1 0 357.410 2.129 20 30 FEEDRO CCC(=O)Nc1cccc(C(=O)Nc2n[nH]c(CCC[NH2+]C)c2C#N)c1 ZINC000089674617 325326321 /nfs/dbraw/zinc/32/63/21/325326321.db2.gz VDNNUNWEDQKHSY-UHFFFAOYSA-N 1 0 354.414 2.034 20 30 FEEDRO Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000089943756 325344409 /nfs/dbraw/zinc/34/44/09/325344409.db2.gz HYRLHNBHBFHNLP-GJZGRUSLSA-N 1 0 368.485 2.302 20 30 FEEDRO C[NH+](C)[C@H]1CC[C@@H](NC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)C1 ZINC000091763377 325392698 /nfs/dbraw/zinc/39/26/98/325392698.db2.gz DNXWPTYUGWVOGU-CVEARBPZSA-N 1 0 359.449 2.012 20 30 FEEDRO C[C@@H](c1ccccc1)[NH+]1CCC(NS(=O)(=O)c2ccc(C#N)nc2)CC1 ZINC000116357618 326009320 /nfs/dbraw/zinc/00/93/20/326009320.db2.gz MSOVHTJCFRNNCR-HNNXBMFYSA-N 1 0 370.478 2.457 20 30 FEEDRO CCCC[N@H+](C)CC1CCN(C(=O)C(=O)Nc2ccc(C#N)cc2)CC1 ZINC000118092938 326079999 /nfs/dbraw/zinc/07/99/99/326079999.db2.gz XTUMQQKIJBPWKS-UHFFFAOYSA-N 1 0 356.470 2.467 20 30 FEEDRO CC[C@H]1CCCC[C@@H]1[N@H+](C)CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 ZINC000120893525 326297043 /nfs/dbraw/zinc/29/70/43/326297043.db2.gz OZGBTHPUPOZPDW-WMZOPIPTSA-N 1 0 373.501 2.404 20 30 FEEDRO C[NH+](C)CCOc1ccccc1C(=O)N1CC(Oc2ccc(C#N)cc2)C1 ZINC000130318653 326554757 /nfs/dbraw/zinc/55/47/57/326554757.db2.gz YQPRYQXELVDBOX-UHFFFAOYSA-N 1 0 365.433 2.402 20 30 FEEDRO N#Cc1ccsc1NC(=O)CC[NH+]1CCC(OC[C@@H]2CCOC2)CC1 ZINC000132126228 326587425 /nfs/dbraw/zinc/58/74/25/326587425.db2.gz QEQVKPGDKIUURS-CQSZACIVSA-N 1 0 363.483 2.466 20 30 FEEDRO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccc(C#N)cc1F)c1cccc(F)c1 ZINC000135678722 326646330 /nfs/dbraw/zinc/64/63/30/326646330.db2.gz LWBRBEMDDAJQTB-KRWDZBQOSA-N 1 0 372.375 2.194 20 30 FEEDRO Cc1cc(C#N)ccc1C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000159943312 326947764 /nfs/dbraw/zinc/94/77/64/326947764.db2.gz NNOXGUDFPYXZRK-UHFFFAOYSA-N 1 0 362.477 2.414 20 30 FEEDRO C[C@@H]1C[NH+](CCCNC(=O)C(C)(C)Oc2ccc(C#N)cc2)C[C@@H](C)O1 ZINC000161708794 327007192 /nfs/dbraw/zinc/00/71/92/327007192.db2.gz AYJZLMMBZGTNTA-HZPDHXFCSA-N 1 0 359.470 2.331 20 30 FEEDRO C[NH+]1CCN([C@@H]2CCCCN(C(=O)CSc3ccc(C#N)cc3)C2)CC1 ZINC000173275621 327245897 /nfs/dbraw/zinc/24/58/97/327245897.db2.gz SIXWRLHCYKSECY-GOSISDBHSA-N 1 0 372.538 2.279 20 30 FEEDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)C1 ZINC000173650202 327273650 /nfs/dbraw/zinc/27/36/50/327273650.db2.gz JNGWGMGRVJEFNX-CYBMUJFWSA-N 1 0 362.861 2.340 20 30 FEEDRO CC[NH+]1CCC(CCNC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)CC1 ZINC000174131361 327307893 /nfs/dbraw/zinc/30/78/93/327307893.db2.gz VBZMYASQSDSNCR-UHFFFAOYSA-N 1 0 366.469 2.178 20 30 FEEDRO C[NH+]1CCC(C(=O)N2CCN(c3c(C#N)cnc4ccccc43)CC2)CC1 ZINC000174427788 327326714 /nfs/dbraw/zinc/32/67/14/327326714.db2.gz PNDAEFPNNQQLPJ-UHFFFAOYSA-N 1 0 363.465 2.097 20 30 FEEDRO Cc1cccc(NC(=O)C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)c1C#N ZINC000174761563 327349114 /nfs/dbraw/zinc/34/91/14/327349114.db2.gz PHCUDYWRKGMQKZ-QGZVFWFLSA-N 1 0 364.449 2.094 20 30 FEEDRO C[C@@H](CCNS(=O)(=O)c1ccc(C#N)nc1)[N@H+](C)Cc1ccccc1 ZINC000175334186 327387527 /nfs/dbraw/zinc/38/75/27/327387527.db2.gz IIHMQSGYIVWWAR-HNNXBMFYSA-N 1 0 358.467 2.142 20 30 FEEDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)Nc1ccc(F)cc1C#N ZINC000175969032 327425275 /nfs/dbraw/zinc/42/52/75/327425275.db2.gz HNMPWKLKPLYMCA-MGPQQGTHSA-N 1 0 360.433 2.118 20 30 FEEDRO CC1CCC([NH+]2CCN(C(=O)C(=O)Nc3ccc(F)cc3C#N)CC2)CC1 ZINC000175987435 327426303 /nfs/dbraw/zinc/42/63/03/327426303.db2.gz FHUQAFKNRKXYAN-UHFFFAOYSA-N 1 0 372.444 2.359 20 30 FEEDRO C[C@H]1CCCN(S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)[C@@H]1C[NH3+] ZINC000262023506 328836137 /nfs/dbraw/zinc/83/61/37/328836137.db2.gz IWXPDZNKXAACAY-IINYFYTJSA-N 1 0 361.389 2.325 20 30 FEEDRO COc1ccc(C#N)cc1NC(=O)C(=O)NCCC[NH+](C(C)C)C(C)C ZINC000267123100 329294255 /nfs/dbraw/zinc/29/42/55/329294255.db2.gz YBXAHFGDNLKYMV-UHFFFAOYSA-N 1 0 360.458 2.130 20 30 FEEDRO C[NH+](C)Cc1ccsc1C(=O)N1CCN(c2cc(C#N)ccn2)CC1 ZINC000268067707 329382092 /nfs/dbraw/zinc/38/20/92/329382092.db2.gz BJXPPONGHYEACY-UHFFFAOYSA-N 1 0 355.467 2.039 20 30 FEEDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CCCN(c2ccccc2C#N)CC1 ZINC000268161140 329391876 /nfs/dbraw/zinc/39/18/76/329391876.db2.gz OMJUKSYCYSTRSF-VQIMIIECSA-N 1 0 367.497 2.263 20 30 FEEDRO N#Cc1ccnc(NCc2ccccc2C[NH+]2CCC(O)CC2)c1[N+](=O)[O-] ZINC000268441717 329420127 /nfs/dbraw/zinc/42/01/27/329420127.db2.gz DAZNZPNANKKWSC-UHFFFAOYSA-N 1 0 367.409 2.430 20 30 FEEDRO CC(C)(Oc1ccc(C#N)cc1)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000269057735 329481613 /nfs/dbraw/zinc/48/16/13/329481613.db2.gz XDIIBDDHMFLYLS-UHFFFAOYSA-N 1 0 371.481 2.477 20 30 FEEDRO N#Cc1ccc(NC(=O)C(=O)N2CCC([NH+]3CCCCC3)CC2)c(F)c1 ZINC000269363091 329511527 /nfs/dbraw/zinc/51/15/27/329511527.db2.gz WGRBEJXNYIZBQV-UHFFFAOYSA-N 1 0 358.417 2.113 20 30 FEEDRO CC(C)[NH+]1CCC(N2CCN(C(=O)NCc3ccc(C#N)cc3)CC2)CC1 ZINC000269371348 329512382 /nfs/dbraw/zinc/51/23/82/329512382.db2.gz YSPBSALBESJUQR-UHFFFAOYSA-N 1 0 369.513 2.258 20 30 FEEDRO CCN(CC)C(=O)C[C@@H](C)[NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000272480306 329784431 /nfs/dbraw/zinc/78/44/31/329784431.db2.gz AWNMCUZAJGUUDL-QAPCUYQASA-N 1 0 356.470 2.290 20 30 FEEDRO CC(C)[NH+]1CCC(N2CCN(c3ccc([N+](=O)[O-])c(C#N)c3)CC2)CC1 ZINC000274216804 329927205 /nfs/dbraw/zinc/92/72/05/329927205.db2.gz MMELXSCSAJMEKB-UHFFFAOYSA-N 1 0 357.458 2.461 20 30 FEEDRO C[C@H](O)C[NH+]1CCN(c2c(C#N)cnc3ccc(OC(F)F)cc32)CC1 ZINC000275040067 330004392 /nfs/dbraw/zinc/00/43/92/330004392.db2.gz QDHLTHPWXRLHIB-LBPRGKRZSA-N 1 0 362.380 2.211 20 30 FEEDRO CN(C(=O)C(=O)Nc1cccc(C#N)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000275791890 330089736 /nfs/dbraw/zinc/08/97/36/330089736.db2.gz YOCJLMAJJAEGGQ-LJQANCHMSA-N 1 0 362.433 2.230 20 30 FEEDRO CCC[NH+]1CCC(N(C)C(=O)C2CCN(c3oc(C)nc3C#N)CC2)CC1 ZINC000276559622 330164571 /nfs/dbraw/zinc/16/45/71/330164571.db2.gz IWLPKCOMDCQRJP-UHFFFAOYSA-N 1 0 373.501 2.404 20 30 FEEDRO C=C(Br)CNC(=O)C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](CC)C1 ZINC000805637553 674348573 /nfs/dbraw/zinc/34/85/73/674348573.db2.gz UMOZRVLBFJRYKU-CYBMUJFWSA-N 1 0 374.323 2.028 20 30 FEEDRO C=CCN(C(=O)C(=O)NCC1([NH+]2CCSCC2)CCCCC1)C(C)C ZINC000806206824 674370628 /nfs/dbraw/zinc/37/06/28/674370628.db2.gz MAHSZMQIOYFSGI-UHFFFAOYSA-N 1 0 367.559 2.277 20 30 FEEDRO N#Cc1cccc(OCCC[N@H+]2CCC[C@H]2C(=O)N2CCSCC2)c1 ZINC000156048478 545595544 /nfs/dbraw/zinc/59/55/44/545595544.db2.gz KTCCAXDVINBRPK-SFHVURJKSA-N 1 0 359.495 2.367 20 30 FEEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+]2CC[C@H](CO)C2)c1C#N ZINC000156182404 545605339 /nfs/dbraw/zinc/60/53/39/545605339.db2.gz GFCCTLCISZZOCH-INIZCTEOSA-N 1 0 370.453 2.261 20 30 FEEDRO C[N@H+](CCCNS(=O)(=O)c1ccc(F)cc1C#N)Cc1ccccc1 ZINC000156232057 545610432 /nfs/dbraw/zinc/61/04/32/545610432.db2.gz OAEPIMZXPHBYEE-UHFFFAOYSA-N 1 0 361.442 2.498 20 30 FEEDRO N#Cc1cccc(S(=O)(=O)CCN(CCO)[C@H]2CCc3ccccc32)c1 ZINC000156828054 545666040 /nfs/dbraw/zinc/66/60/40/545666040.db2.gz VJHTZUGBCXMNNQ-FQEVSTJZSA-N 1 0 370.474 2.314 20 30 FEEDRO C[NH+](C)CCOc1cc(CNC(=O)c2ccc(C#N)c(Cl)c2)ccn1 ZINC000159553595 545962785 /nfs/dbraw/zinc/96/27/85/545962785.db2.gz KIYFREQNPJSYMR-UHFFFAOYSA-N 1 0 358.829 2.477 20 30 FEEDRO C=CCN1C(=O)c2ccc(C(=O)NC[C@@H](C)[N@@H+]3CCC[C@@H](C)C3)cc2C1=O ZINC000478528569 561168913 /nfs/dbraw/zinc/16/89/13/561168913.db2.gz JXIAHUZXQVKZCO-HUUCEWRRSA-N 1 0 369.465 2.319 20 30 FEEDRO C[NH+]=C(NC[C@@H](c1ccco1)N(C)C)N1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000160053700 546002912 /nfs/dbraw/zinc/00/29/12/546002912.db2.gz QZPBPHYAKNRHII-YESZJQIVSA-N 1 0 358.490 2.237 20 30 FEEDRO [NH2+]=C(NCc1nnc2n1CCCC2)Nc1ccccc1OC(F)(F)F ZINC000160682350 546062690 /nfs/dbraw/zinc/06/26/90/546062690.db2.gz YZMDYXAWHZVZSR-UHFFFAOYSA-N 1 0 354.336 2.440 20 30 FEEDRO NC(CCN1CC[NH+](Cc2ccccc2)CC1)=NOCc1nccs1 ZINC000161334208 546120782 /nfs/dbraw/zinc/12/07/82/546120782.db2.gz WXKZYRVEOHDKOT-UHFFFAOYSA-N 1 0 359.499 2.140 20 30 FEEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000161738282 546134455 /nfs/dbraw/zinc/13/44/55/546134455.db2.gz WESROVPJWYVXOB-SFHVURJKSA-N 1 0 359.518 2.440 20 30 FEEDRO C#CCNC(=O)c1ccc(N2CCC(CCC[N@@H+](C)CCOC)CC2)nc1 ZINC000162548372 546140605 /nfs/dbraw/zinc/14/06/05/546140605.db2.gz MKMBEFNPEOWWLT-UHFFFAOYSA-N 1 0 372.513 2.019 20 30 FEEDRO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCC[C@H](CCC(N)=O)C1 ZINC000170734791 546173893 /nfs/dbraw/zinc/17/38/93/546173893.db2.gz PBPZOYVRZZCCAI-IAGOWNOFSA-N 1 0 356.470 2.299 20 30 FEEDRO COc1ccccc1CNC(=[NH2+])NC[C@@H](c1ccccc1)N1CCOCC1 ZINC000170903987 546181485 /nfs/dbraw/zinc/18/14/85/546181485.db2.gz YIMURAJDXVVJNN-IBGZPJMESA-N 1 0 368.481 2.173 20 30 FEEDRO COC(=O)[C@H]1CCCN(CC(=O)N(CCC#N)c2cccc(Cl)c2)C1 ZINC000171235823 546198848 /nfs/dbraw/zinc/19/88/48/546198848.db2.gz DZKPVVQKVMROFT-AWEZNQCLSA-N 1 0 363.845 2.472 20 30 FEEDRO C[NH+]=C(NCC(=O)N1CCCc2ccccc21)NCc1nc(C)cs1 ZINC000171621682 546216396 /nfs/dbraw/zinc/21/63/96/546216396.db2.gz YOIASPGPRDWKMZ-UHFFFAOYSA-N 1 0 357.483 2.096 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)NCc2ccc(CN3CCCC3=O)cc2)CC1 ZINC000171721015 546221506 /nfs/dbraw/zinc/22/15/06/546221506.db2.gz GMPZHAGGUYEZQH-UHFFFAOYSA-N 1 0 370.497 2.259 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000171737585 546222969 /nfs/dbraw/zinc/22/29/69/546222969.db2.gz ZCPQNVJHGKZNRD-UHFFFAOYSA-N 1 0 373.457 2.077 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)Nc2cc(C(=O)N(C)C)ccc2OC)CC1 ZINC000171738404 546223680 /nfs/dbraw/zinc/22/36/80/546223680.db2.gz OTTCZRJVDCQOCV-UHFFFAOYSA-N 1 0 360.458 2.169 20 30 FEEDRO C#CCOc1ccccc1C[NH2+]CC1CCN(S(=O)(=O)C(F)F)CC1 ZINC000171841966 546227652 /nfs/dbraw/zinc/22/76/52/546227652.db2.gz OYYYPTGSYVXETD-UHFFFAOYSA-N 1 0 372.437 2.053 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C[C@H](NC(C)=O)c2ccc(F)cc2F)CC1 ZINC000172908722 546269885 /nfs/dbraw/zinc/26/98/85/546269885.db2.gz CGUHLLDTQIQMFT-SFHVURJKSA-N 1 0 365.424 2.299 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)[C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000173255622 546276575 /nfs/dbraw/zinc/27/65/75/546276575.db2.gz SMJSDCPICMPPBV-IAGOWNOFSA-N 1 0 357.454 2.255 20 30 FEEDRO COc1cccc([C@H](CNC(=O)Nc2ccn(CCC#N)n2)[NH+](C)C)c1 ZINC000173340726 546278885 /nfs/dbraw/zinc/27/88/85/546278885.db2.gz DHOWRLYXOIVSAG-INIZCTEOSA-N 1 0 356.430 2.230 20 30 FEEDRO C=CCc1ccccc1OC[C@H](O)C[NH+]1CCC(O[C@@H]2CCOC2)CC1 ZINC000480306674 561206826 /nfs/dbraw/zinc/20/68/26/561206826.db2.gz KSZMHZBIMMZXMN-UYAOXDASSA-N 1 0 361.482 2.425 20 30 FEEDRO COC(=O)[C@@H](NC1CC[NH+](Cc2ccncc2)CC1)c1cccc(C#N)c1 ZINC000176720540 546480174 /nfs/dbraw/zinc/48/01/74/546480174.db2.gz QPGHKGAHWLXOFR-FQEVSTJZSA-N 1 0 364.449 2.422 20 30 FEEDRO COC(=O)[C@H](c1cccc(C#N)c1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000177177350 546561773 /nfs/dbraw/zinc/56/17/73/546561773.db2.gz MFVNKNKIAIEXLZ-FQEVSTJZSA-N 1 0 371.481 2.349 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H]2CCN(C(=O)C3CCCCC3)C2)CC1 ZINC000177522543 546636316 /nfs/dbraw/zinc/63/63/16/546636316.db2.gz FXHDLMLSXDUURQ-GOSISDBHSA-N 1 0 362.518 2.117 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N[C@H]2CCN(C(=O)C3CCCCC3)C2)CC1 ZINC000177522558 546636606 /nfs/dbraw/zinc/63/66/06/546636606.db2.gz FXHDLMLSXDUURQ-SFHVURJKSA-N 1 0 362.518 2.117 20 30 FEEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000177535218 546639287 /nfs/dbraw/zinc/63/92/87/546639287.db2.gz OAEIIIQLRUACOU-GJZGRUSLSA-N 1 0 374.510 2.429 20 30 FEEDRO CC[C@H]1CCCC[N@@H+]1CCNS(=O)(=O)Cc1ccc(C#N)cc1F ZINC000481015594 561222804 /nfs/dbraw/zinc/22/28/04/561222804.db2.gz RPJBYVGFQQOWHV-INIZCTEOSA-N 1 0 353.463 2.381 20 30 FEEDRO CCOc1ccc(C#N)cc1NC(=O)C(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000178100911 546738984 /nfs/dbraw/zinc/73/89/84/546738984.db2.gz OSGQJUZNEXPYOM-INIZCTEOSA-N 1 0 372.469 2.228 20 30 FEEDRO C[C@@H]1C[NH+](CCC2CCN(C(=O)c3ccc(C#N)cn3)CC2)C[C@@H](C)O1 ZINC000178251740 546765177 /nfs/dbraw/zinc/76/51/77/546765177.db2.gz WETUOEVKPSTCBB-HZPDHXFCSA-N 1 0 356.470 2.305 20 30 FEEDRO N#Cc1ccccc1/C=C/C(=O)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000178582410 546814956 /nfs/dbraw/zinc/81/49/56/546814956.db2.gz HYNXLOQEBSTIAL-LCCNJJIFSA-N 1 0 361.445 2.107 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N2C[C@H](O)C[C@@H]2c2cc(F)ccc2F)CC1 ZINC000179033336 546889746 /nfs/dbraw/zinc/88/97/46/546889746.db2.gz GLSWPRDRWITFSF-CRAIPNDOSA-N 1 0 365.424 2.433 20 30 FEEDRO C=CCN(CCc1ccccc1)C(=O)C(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000481829287 561243435 /nfs/dbraw/zinc/24/34/35/561243435.db2.gz JCWAPORYRUBXNH-OALUTQOASA-N 1 0 371.525 2.480 20 30 FEEDRO CCC[C@H]1CN(C(=O)NCc2ccc(OCC#N)cc2)CC[N@@H+]1CCOC ZINC000179533599 546972206 /nfs/dbraw/zinc/97/22/06/546972206.db2.gz QCVXPXUPMNRHAJ-SFHVURJKSA-N 1 0 374.485 2.231 20 30 FEEDRO C=CCOc1ccc(C[N@@H+](Cc2cn(C)c(=O)n(C)c2=O)C(C)(C)C)cc1 ZINC000179722786 547004348 /nfs/dbraw/zinc/00/43/48/547004348.db2.gz CZBICMLELFKYJO-UHFFFAOYSA-N 1 0 371.481 2.450 20 30 FEEDRO N#CCCN(CCC#N)C(=O)C[NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000179760947 547009660 /nfs/dbraw/zinc/00/96/60/547009660.db2.gz JVPZXSKSRUBEPP-FQEVSTJZSA-N 1 0 368.437 2.154 20 30 FEEDRO C[C@H]([NH2+]CC(=O)N[C@@](C)(C#N)C1CC1)c1ccc(NC(=O)C2CC2)cc1 ZINC000179760809 547009919 /nfs/dbraw/zinc/00/99/19/547009919.db2.gz CIAHXFOXGYSMFR-RBZFPXEDSA-N 1 0 354.454 2.494 20 30 FEEDRO CC[C@H]1Oc2cc([C@H](C)[NH2+]CC(=O)N(CC)CCC#N)ccc2NC1=O ZINC000180004216 547037747 /nfs/dbraw/zinc/03/77/47/547037747.db2.gz HRMRJEOAPXHGHR-XJKSGUPXSA-N 1 0 358.442 2.209 20 30 FEEDRO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)c2ccc(C3(C#N)CC3)cc2)CC1 ZINC000180351667 547089463 /nfs/dbraw/zinc/08/94/63/547089463.db2.gz DENQKCCURWFICV-FQEVSTJZSA-N 1 0 366.509 2.484 20 30 FEEDRO CCOc1cccc([C@@H](C)[NH2+]CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)c1 ZINC000180698617 547159991 /nfs/dbraw/zinc/15/99/91/547159991.db2.gz VFWCDULMEGAANW-XLIONFOSSA-N 1 0 372.513 2.428 20 30 FEEDRO COc1ccc(C#N)cc1NC(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000482872262 561261650 /nfs/dbraw/zinc/26/16/50/561261650.db2.gz VKBDCEDYQMJGSE-CRAIPNDOSA-N 1 0 371.485 2.057 20 30 FEEDRO Cc1c(C#N)cccc1NC(=O)C(=O)N[C@H](C)C[N@H+](C)Cc1ccccc1 ZINC000180901330 547205278 /nfs/dbraw/zinc/20/52/78/547205278.db2.gz NLGMFLGVEQAXMR-OAHLLOKOSA-N 1 0 364.449 2.442 20 30 FEEDRO C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000181655832 547352753 /nfs/dbraw/zinc/35/27/53/547352753.db2.gz XVPRKQZCBKGOLJ-HOTGVXAUSA-N 1 0 372.469 2.297 20 30 FEEDRO CC(C)C[C@@H](CNC(=O)C(=O)Nc1ccccc1O[C@H](C)C#N)[NH+](C)C ZINC000181661222 547355934 /nfs/dbraw/zinc/35/59/34/547355934.db2.gz URFUJJMEVJWBFH-CABCVRRESA-N 1 0 360.458 2.008 20 30 FEEDRO C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000181809312 547385002 /nfs/dbraw/zinc/38/50/02/547385002.db2.gz SSYPCPHMWLJJPL-PBHICJAKSA-N 1 0 374.485 2.399 20 30 FEEDRO C=CC1CC[NH+](CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CC1 ZINC000182776582 547551009 /nfs/dbraw/zinc/55/10/09/547551009.db2.gz BEWPDUXLVPZDNS-QGZVFWFLSA-N 1 0 358.511 2.355 20 30 FEEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000183173194 547615497 /nfs/dbraw/zinc/61/54/97/547615497.db2.gz DPUJPYGLHZUDDN-AWEZNQCLSA-N 1 0 358.486 2.177 20 30 FEEDRO C[C@H]([NH2+]CC(=O)N(CCC#N)CCC#N)c1ccccc1-n1cccn1 ZINC000183173526 547615967 /nfs/dbraw/zinc/61/59/67/547615967.db2.gz HOSMJLWIARAGNJ-INIZCTEOSA-N 1 0 350.426 2.179 20 30 FEEDRO CCO[C@@H]1COCC[C@H]1[NH2+][C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000484650550 561302368 /nfs/dbraw/zinc/30/23/68/561302368.db2.gz MSIZHZYWDLQJOA-BMGDILEWSA-N 1 0 363.433 2.244 20 30 FEEDRO CC(C)(C)OC(=O)[C@@](C)(O)C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000484744414 561305077 /nfs/dbraw/zinc/30/50/77/561305077.db2.gz YWTVSBAGEYJCBL-NRFANRHFSA-N 1 0 373.497 2.205 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(C)=O)Cc3cc(F)ccc32)CC1 ZINC000184162763 547778651 /nfs/dbraw/zinc/77/86/51/547778651.db2.gz BYHNNNVOMVBUER-FQEVSTJZSA-N 1 0 371.456 2.080 20 30 FEEDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)Nc2cnn(-c3ncccc3C#N)c2)C1 ZINC000184609295 547853743 /nfs/dbraw/zinc/85/37/43/547853743.db2.gz PWLRGLIHKUOEDC-HNNXBMFYSA-N 1 0 367.457 2.238 20 30 FEEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH2+][C@H]2CCCC[C@@H]2C(N)=O)c1 ZINC000184800775 547880449 /nfs/dbraw/zinc/88/04/49/547880449.db2.gz CTCFGWHAEUYRES-ROUUACIJSA-N 1 0 356.470 2.184 20 30 FEEDRO C#CCOc1ccccc1NC(=O)C(=O)NC[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000185182063 547948004 /nfs/dbraw/zinc/94/80/04/547948004.db2.gz BDCHPAOCOXAXOZ-QGZVFWFLSA-N 1 0 371.481 2.121 20 30 FEEDRO C=CC[C@@H](CO)NC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000185785735 548035801 /nfs/dbraw/zinc/03/58/01/548035801.db2.gz GBFOIELMAAWQBU-RDJZCZTQSA-N 1 0 356.388 2.494 20 30 FEEDRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000185883322 548050461 /nfs/dbraw/zinc/05/04/61/548050461.db2.gz PDCFCPOQHFJNFQ-HKUYNNGSSA-N 1 0 357.502 2.357 20 30 FEEDRO N#Cc1ccc(Cl)c(S(=O)(=O)N2CCC([NH+]3CCCC3)CC2)c1 ZINC000186309659 548117113 /nfs/dbraw/zinc/11/71/13/548117113.db2.gz HORUFTJFNUTYSN-UHFFFAOYSA-N 1 0 353.875 2.461 20 30 FEEDRO N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CC[C@]3(C2)OCc2ccccc23)cc1 ZINC000186674075 548171497 /nfs/dbraw/zinc/17/14/97/548171497.db2.gz YWVGKTLLRLKWAG-GHTZIAJQSA-N 1 0 350.418 2.429 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N[C@@H](c2cnn(C)c2)c2ccc(F)cc2)CC1 ZINC000186814654 548199548 /nfs/dbraw/zinc/19/95/48/548199548.db2.gz UBXSFDVCAQFPFI-LJQANCHMSA-N 1 0 354.429 2.110 20 30 FEEDRO CS(=O)(=O)CCCCC[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000186867407 548208745 /nfs/dbraw/zinc/20/87/45/548208745.db2.gz YJJANSNRONUACF-UHFFFAOYSA-N 1 0 363.527 2.327 20 30 FEEDRO CCOCCC[N@@H+]1CC[C@@H](NCC(=O)Nc2sccc2C#N)[C@H](C)C1 ZINC000187020012 548242223 /nfs/dbraw/zinc/24/22/23/548242223.db2.gz HVWQNZXMCKZOBE-GDBMZVCRSA-N 1 0 364.515 2.285 20 30 FEEDRO N#CCCN(CCN1CCOCC1)C[C@H](O)c1ccc(F)cc1Cl ZINC000187112838 548251357 /nfs/dbraw/zinc/25/13/57/548251357.db2.gz PJBJXHTUVRRMHJ-KRWDZBQOSA-N 1 0 355.841 2.060 20 30 FEEDRO C=CC1CCN(C(=O)C(=O)Nc2cccc(N3CC[NH+](CC)CC3)c2)CC1 ZINC000187157003 548252442 /nfs/dbraw/zinc/25/24/42/548252442.db2.gz AYMCVVUIKCGSKT-UHFFFAOYSA-N 1 0 370.497 2.192 20 30 FEEDRO C#CCOc1ccccc1NC(=O)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000187667195 548261248 /nfs/dbraw/zinc/26/12/48/548261248.db2.gz VQYLYUIMUSASNF-UHFFFAOYSA-N 1 0 357.454 2.016 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1c(C)nn(C)c1-n1cccn1)C(C)C ZINC000189488830 548303439 /nfs/dbraw/zinc/30/34/39/548303439.db2.gz BGNJENUUTKGNGY-KRWDZBQOSA-N 1 0 370.501 2.343 20 30 FEEDRO CCOC1CC(CCNC2=[NH+]C[C@H]3CN(C(=O)OC(C)(C)C)CCN23)C1 ZINC000190135777 548317933 /nfs/dbraw/zinc/31/79/33/548317933.db2.gz VQPLZWSBQGCHML-PCKAHOCUSA-N 1 0 366.506 2.072 20 30 FEEDRO C=CCN(CCOC)Cc1nc2sc(C(=O)OCC)c(C)c2c(N)n1 ZINC000191122492 548340542 /nfs/dbraw/zinc/34/05/42/548340542.db2.gz FAXGTYFIZZXNTB-UHFFFAOYSA-N 1 0 364.471 2.393 20 30 FEEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CCCN(C)C(=O)C2)c1 ZINC000191154023 548341901 /nfs/dbraw/zinc/34/19/01/548341901.db2.gz HUAOHEVNTBZLHB-KRWDZBQOSA-N 1 0 356.470 2.103 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccc(C(=O)OC)cc2N(C)C)CC1 ZINC000191193400 548342079 /nfs/dbraw/zinc/34/20/79/548342079.db2.gz RXTBWOORPCDZNG-UHFFFAOYSA-N 1 0 360.458 2.311 20 30 FEEDRO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000192126973 548358220 /nfs/dbraw/zinc/35/82/20/548358220.db2.gz NJQFIVQQADGITH-PZPSRYQVSA-N 1 0 351.397 2.393 20 30 FEEDRO Cc1c(C(=O)N(CCC#N)CCC[NH+](C)C)nnn1Cc1ccc(F)cc1 ZINC000195453292 548642029 /nfs/dbraw/zinc/64/20/29/548642029.db2.gz SADAXVZCNONMHW-UHFFFAOYSA-N 1 0 372.448 2.082 20 30 FEEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000237283691 548815158 /nfs/dbraw/zinc/81/51/58/548815158.db2.gz JRLKOWOFLCGSDY-UHFFFAOYSA-N 1 0 355.442 2.040 20 30 FEEDRO CCc1cccc(NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C)c1CC ZINC000487794749 561375972 /nfs/dbraw/zinc/37/59/72/561375972.db2.gz CZHSFNLTXGRNLY-UHFFFAOYSA-N 1 0 358.486 2.444 20 30 FEEDRO CCS[C@@H]1CC[C@H]([N@H+](C)CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)C1 ZINC000245556661 548945515 /nfs/dbraw/zinc/94/55/15/548945515.db2.gz JCNMLZZZNZRZQG-RCCFBDPRSA-N 1 0 366.575 2.285 20 30 FEEDRO CN(C(=O)c1ccc(C#N)cn1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000245706366 548979947 /nfs/dbraw/zinc/97/99/47/548979947.db2.gz MJQFWMQVBKYOOH-WOJBJXKFSA-N 1 0 369.513 2.362 20 30 FEEDRO CC[C@H]1CN([C@H](C)C(=O)NC2(C#N)CCCCC2)CCN1CC(F)F ZINC000245746553 548987227 /nfs/dbraw/zinc/98/72/27/548987227.db2.gz MZNVYKBUUBJZIL-CABCVRRESA-N 1 0 356.461 2.379 20 30 FEEDRO N#Cc1cc(F)c(C(=O)NC[C@@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)c(F)c1 ZINC000245996047 549033639 /nfs/dbraw/zinc/03/36/39/549033639.db2.gz XQMWXWMGQUPKKF-JKSUJKDBSA-N 1 0 371.387 2.202 20 30 FEEDRO CC(C)Oc1ccc(NC(=O)N2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)cc1C#N ZINC000246097381 549051373 /nfs/dbraw/zinc/05/13/73/549051373.db2.gz XKNKREISAIWNSQ-CABCVRRESA-N 1 0 360.458 2.264 20 30 FEEDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1CCC(=O)Nc1cccc(C#N)c1 ZINC000488689430 561394561 /nfs/dbraw/zinc/39/45/61/561394561.db2.gz AQNBUZPLZPOVND-MRXNPFEDSA-N 1 0 356.470 2.072 20 30 FEEDRO CN(CC[NH+]1CCCC1)S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000488722317 561395210 /nfs/dbraw/zinc/39/52/10/561395210.db2.gz GHFAMDPPEMMJMH-UHFFFAOYSA-N 1 0 361.389 2.293 20 30 FEEDRO C[C@H](CNC(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1)C[NH+]1CCCC1 ZINC000246704560 549192657 /nfs/dbraw/zinc/19/26/57/549192657.db2.gz KMEAIZJDMZHLGE-QUCCMNQESA-N 1 0 369.513 2.138 20 30 FEEDRO Cc1ncc(S(=O)(=O)NCCCC[NH+]2CCC(C)CC2)cc1C#N ZINC000489099758 561403266 /nfs/dbraw/zinc/40/32/66/561403266.db2.gz JZZNDDQQLVNPLM-UHFFFAOYSA-N 1 0 350.488 2.052 20 30 FEEDRO CC1CC[NH+](CCCCNS(=O)(=O)c2ccc(C#N)c(F)c2)CC1 ZINC000489107752 561403483 /nfs/dbraw/zinc/40/34/83/561403483.db2.gz YCQGPVXLAAOFLZ-UHFFFAOYSA-N 1 0 353.463 2.488 20 30 FEEDRO C[C@H]1C[C@H](C)C[NH+](CCCNS(=O)(=O)c2ccc(C#N)c(F)c2)C1 ZINC000489128076 561404124 /nfs/dbraw/zinc/40/41/24/561404124.db2.gz XFCQUULXDHRUCH-KBPBESRZSA-N 1 0 353.463 2.344 20 30 FEEDRO C[NH+](C)C[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000489137898 561404306 /nfs/dbraw/zinc/40/43/06/561404306.db2.gz ZGQUWNVFWKWAIW-INIZCTEOSA-N 1 0 361.442 2.149 20 30 FEEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)[C@@H](C)C1 ZINC000248677459 549482649 /nfs/dbraw/zinc/48/26/49/549482649.db2.gz KTQBOJXSZMRTIA-HOCLYGCPSA-N 1 0 373.501 2.242 20 30 FEEDRO Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+](C)[C@@H]3CCCC[C@H]3C)CC2)o1 ZINC000248892977 549523740 /nfs/dbraw/zinc/52/37/40/549523740.db2.gz FGGVTZAXEBVCQR-RHSMWYFYSA-N 1 0 359.474 2.014 20 30 FEEDRO CC[NH+](CC)[C@@H](CNS(=O)(=O)c1cnc(C)c(C#N)c1)CC(C)C ZINC000489591573 561415000 /nfs/dbraw/zinc/41/50/00/561415000.db2.gz ARJRPZULOIETPS-MRXNPFEDSA-N 1 0 352.504 2.297 20 30 FEEDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)Nc2cc(C#N)ccc2Cl)C1 ZINC000249222405 549571403 /nfs/dbraw/zinc/57/14/03/549571403.db2.gz UOPQFWWFFUFWAW-BBRMVZONSA-N 1 0 360.845 2.093 20 30 FEEDRO CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](CC(=O)N(CC)C[C@H](C)C#N)C1 ZINC000250569204 549642195 /nfs/dbraw/zinc/64/21/95/549642195.db2.gz VUKZZRAMCUBYQF-IKGGRYGDSA-N 1 0 350.507 2.011 20 30 FEEDRO C[NH+]=C(NCCc1ccc(Cl)s1)N1CCO[C@H](c2cnn(C)c2)C1 ZINC000261717325 549746804 /nfs/dbraw/zinc/74/68/04/549746804.db2.gz HZNWNDKWWYPKDC-AWEZNQCLSA-N 1 0 367.906 2.326 20 30 FEEDRO [NH2+]=C(NC[C@]1(N2CCOCC2)CCSC1)Nc1ccc2c(c1)CCC2 ZINC000261976268 549776144 /nfs/dbraw/zinc/77/61/44/549776144.db2.gz GCNGDBUFAMWDQG-LJQANCHMSA-N 1 0 360.527 2.110 20 30 FEEDRO Cc1nnc(CNC(N[C@@H]2CCOc3ccccc32)=[NH+][C@H]2C[C@@H]2C)n1C ZINC000262025763 549781795 /nfs/dbraw/zinc/78/17/95/549781795.db2.gz ZSRBOFZLNAGREH-MAZHCROVSA-N 1 0 354.458 2.091 20 30 FEEDRO C=CCN(CCc1ccco1)C(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000490282837 561430266 /nfs/dbraw/zinc/43/02/66/561430266.db2.gz CVHUSBPGEAKKDA-UHFFFAOYSA-N 1 0 354.454 2.297 20 30 FEEDRO C[C@@H]1CCCC[C@@H]1[NH+]=C(NCc1ccoc1)NC[C@@H]1CCS(=O)(=O)C1 ZINC000262462108 549821726 /nfs/dbraw/zinc/82/17/26/549821726.db2.gz XTZSAIDLYATEFW-PVAVHDDUSA-N 1 0 367.515 2.328 20 30 FEEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)C[C@@H](C[NH3+])OC ZINC000262914491 549862191 /nfs/dbraw/zinc/86/21/91/549862191.db2.gz RBORCWXDADAHBG-ZDUSSCGKSA-N 1 0 359.239 2.467 20 30 FEEDRO C[C@H](C#N)CN(C)C(=O)N[C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000263647836 549912438 /nfs/dbraw/zinc/91/24/38/549912438.db2.gz CDLSQNNRDYMTMV-CABCVRRESA-N 1 0 361.465 2.440 20 30 FEEDRO CC(C)NS(=O)(=O)Cc1ccccc1CNC(=[NH2+])Nc1ccccc1 ZINC000264119804 549981438 /nfs/dbraw/zinc/98/14/38/549981438.db2.gz QQZLXXZINHAJRF-UHFFFAOYSA-N 1 0 360.483 2.441 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1ccc(Cl)c(S(C)(=O)=O)c1 ZINC000264150809 549985843 /nfs/dbraw/zinc/98/58/43/549985843.db2.gz HQMWADALCHDOPQ-UHFFFAOYSA-N 1 0 371.890 2.051 20 30 FEEDRO CCc1cccc(NC(=O)CNC(=[NH2+])NCc2ccc(OC)c(OC)c2)c1 ZINC000264164716 549986789 /nfs/dbraw/zinc/98/67/89/549986789.db2.gz BWBQFIDUCUMCQU-UHFFFAOYSA-N 1 0 370.453 2.309 20 30 FEEDRO C[C@H](Oc1ccc(C#N)cc1)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000264191423 549990562 /nfs/dbraw/zinc/99/05/62/549990562.db2.gz CMFDFSYHJDEKHD-INIZCTEOSA-N 1 0 357.454 2.087 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N(C)Cc2nccn2CC(F)(F)F)CC1 ZINC000264352697 549994580 /nfs/dbraw/zinc/99/45/80/549994580.db2.gz MLCKZNMXTSWORX-UHFFFAOYSA-N 1 0 359.396 2.237 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)c2nc(C)n(-c3ccc(F)cc3)n2)CC1 ZINC000264485695 549996735 /nfs/dbraw/zinc/99/67/35/549996735.db2.gz MNLZSCKMDIMZGT-UHFFFAOYSA-N 1 0 357.433 2.485 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@@H](C)c1nnc2n1CCC2)C(C)C ZINC000264534297 549997966 /nfs/dbraw/zinc/99/79/66/549997966.db2.gz LUCVBYHZNZLRBX-JKSUJKDBSA-N 1 0 360.506 2.283 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC(CC(=O)NC)CC1)C(C)C ZINC000266843070 550024647 /nfs/dbraw/zinc/02/46/47/550024647.db2.gz IOCOWUGWSZBQJQ-GOSISDBHSA-N 1 0 364.534 2.243 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N[C@H](CC)c2nnc3n2CCCCC3)CC1 ZINC000267321713 550030128 /nfs/dbraw/zinc/03/01/28/550030128.db2.gz KHJQTHIYZLESNB-MRXNPFEDSA-N 1 0 360.506 2.405 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)Nc2c(-c3cnn(C)c3)nc3ccccn32)CC1 ZINC000268104318 550037223 /nfs/dbraw/zinc/03/72/23/550037223.db2.gz BSOCHQBKMMJFDK-UHFFFAOYSA-N 1 0 362.437 2.019 20 30 FEEDRO COc1cc(/C=C/C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)ccc1OCC#N ZINC000268221151 550037619 /nfs/dbraw/zinc/03/76/19/550037619.db2.gz LYCZXGGHCOYYJF-TYBAJPJBSA-N 1 0 355.438 2.210 20 30 FEEDRO C=CCc1ccc(OC[C@@H](O)C[N@H+]2CC[C@@](C)(C(=O)OC)C2)c(OC)c1 ZINC000268333108 550050675 /nfs/dbraw/zinc/05/06/75/550050675.db2.gz JFYBZCPWKVGYAG-OXJNMPFZSA-N 1 0 363.454 2.048 20 30 FEEDRO CCOC(=O)N1CCC(NC(=[NH2+])NC[C@H]2[C@@H]3c4ccccc4C[C@H]23)CC1 ZINC000268970524 550139175 /nfs/dbraw/zinc/13/91/75/550139175.db2.gz OCPUDUKZZCIRHC-KZNAEPCWSA-N 1 0 356.470 2.098 20 30 FEEDRO C#CCOc1cccc(NC(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c1 ZINC000269089227 550153739 /nfs/dbraw/zinc/15/37/39/550153739.db2.gz BNDXMLROUWRSCG-MOPGFXCFSA-N 1 0 357.454 2.198 20 30 FEEDRO CN(Cc1ccc(C#N)cc1)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000269326815 550181719 /nfs/dbraw/zinc/18/17/19/550181719.db2.gz NDCZVGAVEYAOHG-OALUTQOASA-N 1 0 356.470 2.077 20 30 FEEDRO CC(C)[NH+]1CCC(N2CCN(C(=O)Cc3ccc(C#N)cc3)CC2)CC1 ZINC000269340415 550182792 /nfs/dbraw/zinc/18/27/92/550182792.db2.gz CZDWDBHMXIZANT-UHFFFAOYSA-N 1 0 354.498 2.118 20 30 FEEDRO C[C@@H](Cn1cccn1)[NH2+]CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000269397762 550190928 /nfs/dbraw/zinc/19/09/28/550190928.db2.gz BZZSLOAUPXNGQD-AWEZNQCLSA-N 1 0 364.371 2.048 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N[C@@H](CC)[C@@H](O)c2c(F)cccc2F)CC1 ZINC000269606221 550209980 /nfs/dbraw/zinc/20/99/80/550209980.db2.gz VOUDWXWKLUZHMD-FUHWJXTLSA-N 1 0 350.409 2.238 20 30 FEEDRO C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000270001818 550242321 /nfs/dbraw/zinc/24/23/21/550242321.db2.gz YHQWQCIOFIONKF-DRZCJDIDSA-N 1 0 353.825 2.031 20 30 FEEDRO C#CC[C@@H](NC(=O)NC[C@@H](C)C[NH+]1CCN(CC)CC1)c1ccccc1 ZINC000270478429 550276197 /nfs/dbraw/zinc/27/61/97/550276197.db2.gz WFMNZWNDEOLZNT-UYAOXDASSA-N 1 0 356.514 2.324 20 30 FEEDRO COC(=O)[C@H]1CCCC[C@]1(C)[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000270492531 550277465 /nfs/dbraw/zinc/27/74/65/550277465.db2.gz UXYDPNKFRLAQEO-AEFFLSMTSA-N 1 0 364.467 2.043 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@@H](C(F)(F)F)[C@H](CO)C2)CC1 ZINC000493836369 561458508 /nfs/dbraw/zinc/45/85/08/561458508.db2.gz POEDATSVLRZJLW-DZGCQCFKSA-N 1 0 363.424 2.229 20 30 FEEDRO C#CCN(CC)C(=O)C(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000271375694 550370064 /nfs/dbraw/zinc/37/00/64/550370064.db2.gz JPRMFKQPSHNMMC-UHFFFAOYSA-N 1 0 355.482 2.381 20 30 FEEDRO N#CCN1CCC[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC000272058675 550419418 /nfs/dbraw/zinc/41/94/18/550419418.db2.gz BVHCRFBDCBZFNA-UXHICEINSA-N 1 0 354.498 2.393 20 30 FEEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+]Cc3cc(C(N)=O)cs3)C2=O)cc1 ZINC000272533443 550456307 /nfs/dbraw/zinc/45/63/07/550456307.db2.gz KHPMTBCBMXBJPL-MRXNPFEDSA-N 1 0 354.435 2.004 20 30 FEEDRO C[C@H](NC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1)C1=CC[N@H+](C)CC1 ZINC000272940593 550477787 /nfs/dbraw/zinc/47/77/87/550477787.db2.gz LXCRMSGJMREWOQ-KRWDZBQOSA-N 1 0 367.497 2.036 20 30 FEEDRO CCOC(=O)N1CCC(NC(=[NH2+])NCCCNc2cccc(F)c2)CC1 ZINC000273349095 550495382 /nfs/dbraw/zinc/49/53/82/550495382.db2.gz PPCZKTDULWIBNT-UHFFFAOYSA-N 1 0 365.453 2.153 20 30 FEEDRO COc1ccccc1-c1noc([C@@H](C)NCC(=O)N[C@](C)(C#N)C(C)C)n1 ZINC000273425639 550497821 /nfs/dbraw/zinc/49/78/21/550497821.db2.gz WKJDUUXEFFMPTL-BFUOFWGJSA-N 1 0 371.441 2.450 20 30 FEEDRO CS[C@H]1CN(CCC(=O)Nc2ccc(C#N)cc2)C[C@H]1[NH+]1CCCC1 ZINC000274087192 550522541 /nfs/dbraw/zinc/52/25/41/550522541.db2.gz RGLDJSNIFOLNOO-MSOLQXFVSA-N 1 0 358.511 2.398 20 30 FEEDRO CS[C@H]1CN(CCC(=O)Nc2ccc(C#N)cc2)C[C@@H]1[NH+]1CCCC1 ZINC000274087197 550522584 /nfs/dbraw/zinc/52/25/84/550522584.db2.gz RGLDJSNIFOLNOO-ROUUACIJSA-N 1 0 358.511 2.398 20 30 FEEDRO C=C(C)[C@H](NC(=O)NC[C@H]1C[N@@H+](C)CCN1C)c1ccc(F)c(F)c1 ZINC000274712174 550550204 /nfs/dbraw/zinc/55/02/04/550550204.db2.gz AVDPAPVUSAPBSY-YOEHRIQHSA-N 1 0 352.429 2.127 20 30 FEEDRO C[C@H](NC(=O)C(=O)Nc1ccccc1SCCC#N)C1=CC[N@H+](C)CC1 ZINC000276190368 550577372 /nfs/dbraw/zinc/57/73/72/550577372.db2.gz UUBJUBUEFYLRFB-AWEZNQCLSA-N 1 0 372.494 2.397 20 30 FEEDRO COc1cc(/C=C/C(=O)NC[C@H]2CCc3nccn3C2)ccc1OCC#N ZINC000276337962 550578150 /nfs/dbraw/zinc/57/81/50/550578150.db2.gz QGKADMPZXMREJU-IEXSPKMKSA-N 1 0 366.421 2.186 20 30 FEEDRO COc1ccc(C[NH2+]C2CCN(S(=O)(=O)C(C)(C)C)CC2)cc1C#N ZINC000276854606 550603318 /nfs/dbraw/zinc/60/33/18/550603318.db2.gz AGEMAXJDFWMAEE-UHFFFAOYSA-N 1 0 365.499 2.249 20 30 FEEDRO C[C@@H](NS(=O)(=O)c1cccnc1C#N)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000277006729 550621081 /nfs/dbraw/zinc/62/10/81/550621081.db2.gz INFYJVBFTMDBBO-WBVHZDCISA-N 1 0 370.478 2.142 20 30 FEEDRO N#Cc1cc(NC(=O)C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)ccc1Cl ZINC000277453254 550672360 /nfs/dbraw/zinc/67/23/60/550672360.db2.gz IFQHVQAJCJCGCO-HNNXBMFYSA-N 1 0 360.845 2.283 20 30 FEEDRO C[C@H]1COCC[C@H]1NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000277516774 550679779 /nfs/dbraw/zinc/67/97/79/550679779.db2.gz OXHLAQSWMUREMO-QFBILLFUSA-N 1 0 356.470 2.201 20 30 FEEDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)Nc1cccc(OCC#N)c1 ZINC000278509992 550793658 /nfs/dbraw/zinc/79/36/58/550793658.db2.gz MVDYPRHEMAGXCD-HNNXBMFYSA-N 1 0 358.442 2.306 20 30 FEEDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1CCC(=O)Nc1ccccc1C#N ZINC000278806880 550823969 /nfs/dbraw/zinc/82/39/69/550823969.db2.gz ZQLYFUDNOPBWFL-INIZCTEOSA-N 1 0 356.470 2.072 20 30 FEEDRO COCCOC1CC[NH+](Cc2cn(CCC#N)nc2-c2ccncc2)CC1 ZINC000279460198 550892796 /nfs/dbraw/zinc/89/27/96/550892796.db2.gz UJIQEEGXGMHWKR-UHFFFAOYSA-N 1 0 369.469 2.486 20 30 FEEDRO C#CCn1ccc(CN(CC)C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)n1 ZINC000279498727 550896711 /nfs/dbraw/zinc/89/67/11/550896711.db2.gz NUWBQBHENUSNCB-HXUWFJFHSA-N 1 0 367.497 2.221 20 30 FEEDRO N#Cc1ccc(CN2CCCN(C(=O)[C@H]3CCC[N@@H+]3C3CC3)CC2)cc1 ZINC000279658440 550913597 /nfs/dbraw/zinc/91/35/97/550913597.db2.gz CUBROXKWYYWWKG-HXUWFJFHSA-N 1 0 352.482 2.219 20 30 FEEDRO C[N@H+](CCCCCO)CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000279658776 550913622 /nfs/dbraw/zinc/91/36/22/550913622.db2.gz COOZHOANUUOKCM-UHFFFAOYSA-N 1 0 356.388 2.268 20 30 FEEDRO C[C@@H]1C[N@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@]2(CCOC2)O1 ZINC000280372954 550986676 /nfs/dbraw/zinc/98/66/76/550986676.db2.gz VMCQLKJXYQJSHO-QRWLVFNGSA-N 1 0 352.438 2.339 20 30 FEEDRO C=C(C)CS(=O)(=O)NC1CC[NH+](CCOc2ccc(F)cc2)CC1 ZINC000280598215 551011842 /nfs/dbraw/zinc/01/18/42/551011842.db2.gz OZQOJNYVDNMARP-UHFFFAOYSA-N 1 0 356.463 2.164 20 30 FEEDRO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CC[C@H](C(=O)N(C)c2ccccc2)C1 ZINC000280658380 551018638 /nfs/dbraw/zinc/01/86/38/551018638.db2.gz DRRLBNPDKPUDDK-OXJNMPFZSA-N 1 0 356.470 2.026 20 30 FEEDRO CNC(=O)[C@]1(C)CC[N@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)C1 ZINC000280721266 551025070 /nfs/dbraw/zinc/02/50/70/551025070.db2.gz IAVYEFXCZRWCMB-GOSISDBHSA-N 1 0 362.861 2.045 20 30 FEEDRO N#CCN1CC[NH+](CC2CCN(C(=O)OCc3ccccc3)CC2)CC1 ZINC000280961544 551049609 /nfs/dbraw/zinc/04/96/09/551049609.db2.gz JSROJTKXUUNMAW-UHFFFAOYSA-N 1 0 356.470 2.176 20 30 FEEDRO C=CCN1CC[C@H](N(C)C(=O)c2oc3ccccc3c2C[NH+](C)C)C1=O ZINC000281262340 551079107 /nfs/dbraw/zinc/07/91/07/551079107.db2.gz GUOLXFXHANIESM-INIZCTEOSA-N 1 0 355.438 2.353 20 30 FEEDRO C=CCN1CC[C@@H]([N@H+](C)C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)C1=O ZINC000281379469 551090105 /nfs/dbraw/zinc/09/01/05/551090105.db2.gz OXZVEFBXBKGTDO-JKSUJKDBSA-N 1 0 356.388 2.328 20 30 FEEDRO C=CCN1CC[C@@H]([N@H+](C)CCC(=O)N[C@H]2CCCc3ccccc32)C1=O ZINC000281442965 551098302 /nfs/dbraw/zinc/09/83/02/551098302.db2.gz UBSRSRCHRCWFNH-RBUKOAKNSA-N 1 0 355.482 2.289 20 30 FEEDRO CC(C)Oc1ccc(NC(=O)C(=O)N(C)CCC[NH+]2CCCC2)cc1C#N ZINC000281509189 551106701 /nfs/dbraw/zinc/10/67/01/551106701.db2.gz RIWTUMZITCDMQW-UHFFFAOYSA-N 1 0 372.469 2.228 20 30 FEEDRO Cc1nc(C#N)c(N2CCC(C(=O)N[C@@H]3CCC[N@@H+](C(C)C)C3)CC2)o1 ZINC000281694500 551131567 /nfs/dbraw/zinc/13/15/67/551131567.db2.gz VMBWLOHWQYSQCR-MRXNPFEDSA-N 1 0 359.474 2.060 20 30 FEEDRO CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+](CC(=O)NCc2cccc(C#N)c2)C1 ZINC000497371603 561499623 /nfs/dbraw/zinc/49/96/23/561499623.db2.gz QHAQHILSADHYMV-VQIMIIECSA-N 1 0 370.497 2.191 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N(CCNC(C)=O)Cc2ccsc2)CC1 ZINC000282740738 551265533 /nfs/dbraw/zinc/26/55/33/551265533.db2.gz LXOLEYFUIQKNBB-UHFFFAOYSA-N 1 0 364.515 2.046 20 30 FEEDRO C[NH+]1CCC(O)(CNC(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)CC1 ZINC000283009383 551297218 /nfs/dbraw/zinc/29/72/18/551297218.db2.gz MWCFAKVBESDVCP-UHFFFAOYSA-N 1 0 372.347 2.035 20 30 FEEDRO C=C[C@@H](CC(=O)N1CCC(c2nnc3n2CCNC3)CC1)c1ccccc1 ZINC000283015076 551297895 /nfs/dbraw/zinc/29/78/95/551297895.db2.gz OFZSONFCDKVRDP-INIZCTEOSA-N 1 0 365.481 2.447 20 30 FEEDRO C#Cc1cc(F)c(NC(=O)C(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)c(F)c1 ZINC000283069522 551306842 /nfs/dbraw/zinc/30/68/42/551306842.db2.gz XIJOLTXWPURYRQ-QWHCGFSZSA-N 1 0 363.408 2.121 20 30 FEEDRO C[C@@H](O)c1ncc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)s1 ZINC000283073590 551307597 /nfs/dbraw/zinc/30/75/97/551307597.db2.gz PXQWKKOUFQGFGY-CYBMUJFWSA-N 1 0 358.467 2.272 20 30 FEEDRO C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccnc(OCC[NH+](C)C)c1 ZINC000497712173 561506884 /nfs/dbraw/zinc/50/68/84/561506884.db2.gz WXGCBWDZHJRELD-AWEZNQCLSA-N 1 0 354.410 2.300 20 30 FEEDRO CC(C)N1CCN(S(=O)(=O)c2cccc(Br)c2C#N)CC1 ZINC000283510084 551378831 /nfs/dbraw/zinc/37/88/31/551378831.db2.gz KLOBTWWUJFWRMM-UHFFFAOYSA-N 1 0 372.288 2.035 20 30 FEEDRO C=CCn1c(-c2cccnc2)nnc1N1CC[NH+](CCOC(C)C)CC1 ZINC000283613451 551396753 /nfs/dbraw/zinc/39/67/53/551396753.db2.gz VPNKGUDWFHKPFH-UHFFFAOYSA-N 1 0 356.474 2.073 20 30 FEEDRO Cn1ccc(CCC(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)n1 ZINC000498222586 561519203 /nfs/dbraw/zinc/51/92/03/561519203.db2.gz VRZKKHJJDDQIQQ-UHFFFAOYSA-N 1 0 351.454 2.027 20 30 FEEDRO COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]CCNC(=O)C2N=CC=CC2=O)cc1 ZINC000284562967 551578321 /nfs/dbraw/zinc/57/83/21/551578321.db2.gz YLHYXLTUZSDCKU-MDCRWHCESA-N 1 0 355.438 2.303 20 30 FEEDRO CCNC(=O)C[C@H]1CCCC[N@@H+]1CC(=O)N(CCC#N)c1ccccc1 ZINC000284725066 551617655 /nfs/dbraw/zinc/61/76/55/551617655.db2.gz JXDDAMJQBZVJFI-GOSISDBHSA-N 1 0 356.470 2.314 20 30 FEEDRO C=CCN(CC=C)C(=O)C[NH2+][C@H](C)c1ccc(S(=O)(=O)CC)cc1 ZINC000284805832 551638193 /nfs/dbraw/zinc/63/81/93/551638193.db2.gz PWFCNWCASSEETP-OAHLLOKOSA-N 1 0 350.484 2.331 20 30 FEEDRO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@@H]1[C@@H]1COCC[C@@]1(C)O ZINC000284827198 551644713 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/nfs/dbraw/zinc/88/40/13/551884013.db2.gz DYMMDXGXGRYSQD-UHFFFAOYSA-N 1 0 373.472 2.473 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N2CCCC[C@H]2Cc2ccccc2)CC1 ZINC000286487594 551891657 /nfs/dbraw/zinc/89/16/57/551891657.db2.gz JQMQSOCRCKWGES-FQEVSTJZSA-N 1 0 369.509 2.377 20 30 FEEDRO COC(=O)[C@@]1(C(F)(F)F)CC[N@H+](CCOc2ccc(C#N)cc2OC)C1 ZINC000286503687 551893577 /nfs/dbraw/zinc/89/35/77/551893577.db2.gz MLRLMXVNAXUXSV-MRXNPFEDSA-N 1 0 372.343 2.373 20 30 FEEDRO CCN(CCC#N)C(=O)C[NH2+][C@](C)(CO)c1ccc(Br)cc1 ZINC000286589867 551903117 /nfs/dbraw/zinc/90/31/17/551903117.db2.gz QQKDSWQUFVNJAQ-MRXNPFEDSA-N 1 0 368.275 2.008 20 30 FEEDRO CC[C@@H](C#N)NC(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1c1cnn(C)c1 ZINC000286659723 551911644 /nfs/dbraw/zinc/91/16/44/551911644.db2.gz FWXBFWNOWVCZTN-OTWHNJEPSA-N 1 0 351.454 2.054 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[C@@H](c3ccc(F)cc3)C2)CC1 ZINC000286825123 551929898 /nfs/dbraw/zinc/92/98/98/551929898.db2.gz WUEDJMWENFBKLU-VQIMIIECSA-N 1 0 373.472 2.345 20 30 FEEDRO CCC[N@H+](CC)CCNC(=O)Nc1ccc(S(=O)(=O)[C@H](C)C#N)cc1 ZINC000286984929 551948282 /nfs/dbraw/zinc/94/82/82/551948282.db2.gz CFUWDJVAAVYPSO-CQSZACIVSA-N 1 0 366.487 2.226 20 30 FEEDRO COCC[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(C#N)c(Br)c2)C1 ZINC000287145922 551969114 /nfs/dbraw/zinc/96/91/14/551969114.db2.gz HWRCBCMGNOZZIK-CYBMUJFWSA-N 1 0 367.247 2.163 20 30 FEEDRO C#CC[C@H](Cc1ccccc1)NC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000287595867 552023136 /nfs/dbraw/zinc/02/31/36/552023136.db2.gz YJCVQMFNHBJDJC-PZJWPPBQSA-N 1 0 369.509 2.421 20 30 FEEDRO Cn1nccc1[C@H]1[C@H](CNC(=O)N2CCC(C)(C#N)CC2)CCC[N@@H+]1C ZINC000287625078 552027025 /nfs/dbraw/zinc/02/70/25/552027025.db2.gz FKVNOMXUNHNDHK-DOTOQJQBSA-N 1 0 358.490 2.138 20 30 FEEDRO C[C@H](NC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1)C1=CC[N@H+](C)CC1 ZINC000287994831 552072527 /nfs/dbraw/zinc/07/25/27/552072527.db2.gz VJJPXARAEPIUAV-YOEHRIQHSA-N 1 0 356.445 2.290 20 30 FEEDRO C=CCOc1ccc(CNC(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)cc1 ZINC000288478897 552160191 /nfs/dbraw/zinc/16/01/91/552160191.db2.gz PXKRPFUHSZCIML-UHFFFAOYSA-N 1 0 374.529 2.419 20 30 FEEDRO C=C(C)CN(CC)C(=O)C(=O)N[C@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 ZINC000289051360 552258583 /nfs/dbraw/zinc/25/85/83/552258583.db2.gz BZYVBDKCLNYJGW-IRXDYDNUSA-N 1 0 365.424 2.251 20 30 FEEDRO COc1cc(C)c(NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C)c(C)c1C ZINC000500208163 561567779 /nfs/dbraw/zinc/56/77/79/561567779.db2.gz ALZYSDZWWNNPJJ-UHFFFAOYSA-N 1 0 374.485 2.253 20 30 FEEDRO C#CCCOc1ccc(C[N@H+]2CCC[C@@H]2C[C@@]2(C)NC(=O)NC2=O)cc1 ZINC000289201734 552281838 /nfs/dbraw/zinc/28/18/38/552281838.db2.gz BLUNMMNOESJRSO-OXQOHEQNSA-N 1 0 355.438 2.041 20 30 FEEDRO C#CCOc1ccccc1C[NH2+]C[C@H](CO)Cc1ccc(OC)c(O)c1 ZINC000289469057 552326684 /nfs/dbraw/zinc/32/66/84/552326684.db2.gz PGXHDOKZXMRAIH-QGZVFWFLSA-N 1 0 355.434 2.354 20 30 FEEDRO N#CC1(NC(=O)C[N@@H+]2CCCN3c4ccccc4C[C@@H]3C2)CCCCC1 ZINC000289513764 552333606 /nfs/dbraw/zinc/33/36/06/552333606.db2.gz RFEMZKKXCVGZMA-GOSISDBHSA-N 1 0 352.482 2.466 20 30 FEEDRO N#Cc1ccc(NC(=O)NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)cc1F ZINC000289884086 552394270 /nfs/dbraw/zinc/39/42/70/552394270.db2.gz SEPCOTVXIMSZMU-GOSISDBHSA-N 1 0 368.412 2.238 20 30 FEEDRO C=CCN(CCc1ccccc1)C(=O)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000290186514 552439896 /nfs/dbraw/zinc/43/98/96/552439896.db2.gz LPNJWQHHXUWYCI-UHFFFAOYSA-N 1 0 369.509 2.234 20 30 FEEDRO N#Cc1ccc(NC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1F ZINC000290764524 552533795 /nfs/dbraw/zinc/53/37/95/552533795.db2.gz KMLMKPUREOUEJU-KSSFIOAISA-N 1 0 370.428 2.111 20 30 FEEDRO COc1cc(C#N)ccc1OCC[NH2+][C@@H](C(N)=O)[C@H](C)c1ccccc1 ZINC000292039674 552687327 /nfs/dbraw/zinc/68/73/27/552687327.db2.gz AJIJBDFGNZPVCH-AUUYWEPGSA-N 1 0 353.422 2.193 20 30 FEEDRO N#Cc1ccc(O[C@H]2CC[N@@H+](C[C@H]3CN(c4ccccc4)C(=O)O3)C2)nc1 ZINC000292156200 552699175 /nfs/dbraw/zinc/69/91/75/552699175.db2.gz KNTHFQMIPCJQBO-ROUUACIJSA-N 1 0 364.405 2.432 20 30 FEEDRO Cc1cc(C)nc(N2CC[NH+](CCC(=O)Nc3cccc(C#N)c3)CC2)n1 ZINC000501544336 561600227 /nfs/dbraw/zinc/60/02/27/561600227.db2.gz XUEUKWWECKENFS-UHFFFAOYSA-N 1 0 364.453 2.116 20 30 FEEDRO CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)NCCCCC[NH+]1CCCC1 ZINC000293787301 552856429 /nfs/dbraw/zinc/85/64/29/552856429.db2.gz UMZLHNUVIMHXPY-UHFFFAOYSA-N 1 0 373.501 2.436 20 30 FEEDRO C#CC[N@@H+](C)CCCNC(=O)c1ccc(OCc2cscn2)c(OC)c1 ZINC000293858946 552862937 /nfs/dbraw/zinc/86/29/37/552862937.db2.gz AYYSBJQPMQDKJG-UHFFFAOYSA-N 1 0 373.478 2.416 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)c1cc(F)ccc1I ZINC000293979501 552872326 /nfs/dbraw/zinc/87/23/26/552872326.db2.gz MUALZOORTGBDLE-UHFFFAOYSA-N 1 0 374.197 2.115 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)CCc1nc(-c2ccc(C)c(F)c2)no1 ZINC000294107439 552882256 /nfs/dbraw/zinc/88/22/56/552882256.db2.gz YSGSYOJAIPFLNE-UHFFFAOYSA-N 1 0 358.417 2.188 20 30 FEEDRO CO[C@H]1COCC[C@@H]1CC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000294480233 552909637 /nfs/dbraw/zinc/90/96/37/552909637.db2.gz QQRXIUOODJWQBM-UXHICEINSA-N 1 0 371.481 2.034 20 30 FEEDRO C=CCOc1ccc(CC(=O)N2CCC(C[NH+]3CCN(C)CC3)CC2)cc1 ZINC000294714804 552928889 /nfs/dbraw/zinc/92/88/89/552928889.db2.gz URFQGXXWLGOTMK-UHFFFAOYSA-N 1 0 371.525 2.280 20 30 FEEDRO C[C@@H](NC(=O)C(=O)Nc1sccc1C#N)[C@H](c1ccccc1)[NH+](C)C ZINC000294933072 552945425 /nfs/dbraw/zinc/94/54/25/552945425.db2.gz XPVZQCDCPZERHJ-IUODEOHRSA-N 1 0 356.451 2.366 20 30 FEEDRO C=CCOc1c(Br)cc(C[NH2+][C@H]2CCCNC2=O)cc1OC ZINC000295021134 552952197 /nfs/dbraw/zinc/95/21/97/552952197.db2.gz KQEBMJZWAHBPRP-ZDUSSCGKSA-N 1 0 369.259 2.391 20 30 FEEDRO N#Cc1cc(F)ccc1CS(=O)(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000295256152 552976776 /nfs/dbraw/zinc/97/67/76/552976776.db2.gz QYWBPMCISYWPET-HNNXBMFYSA-N 1 0 365.474 2.335 20 30 FEEDRO N#Cc1ccc(C[NH2+]C[C@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)s1 ZINC000502060389 561611220 /nfs/dbraw/zinc/61/12/20/561611220.db2.gz IAOKGMHOWXRJGP-IRXDYDNUSA-N 1 0 366.490 2.308 20 30 FEEDRO C=CCC[C@H](O)C[N@@H+]1CCC[C@H](S(=O)(=O)N2CCc3ccccc32)C1 ZINC000502332306 561616389 /nfs/dbraw/zinc/61/63/89/561616389.db2.gz LQIMVYNFDWXGSY-ROUUACIJSA-N 1 0 364.511 2.170 20 30 FEEDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1S(=O)(=O)Cc1ccc(F)cc1C#N ZINC000295980976 553084482 /nfs/dbraw/zinc/08/44/82/553084482.db2.gz LALLTRFFULPKKW-DYVFJYSZSA-N 1 0 351.447 2.086 20 30 FEEDRO C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2Cc2cccs2)CC1 ZINC000296056139 553096790 /nfs/dbraw/zinc/09/67/90/553096790.db2.gz ROKKGMPNZGKRDX-QGZVFWFLSA-N 1 0 371.510 2.385 20 30 FEEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+][C@@H]2CCCC[C@H]2OC(F)F)c1 ZINC000502513467 561620226 /nfs/dbraw/zinc/62/02/26/561620226.db2.gz YGAKKHANZWECGO-HUUCEWRRSA-N 1 0 358.410 2.472 20 30 FEEDRO C=C(C)COc1cccc(NC(=O)C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000296292580 553135902 /nfs/dbraw/zinc/13/59/02/553135902.db2.gz VDCXVHCOUMUCSE-ALOPSCKCSA-N 1 0 357.454 2.321 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCC[C@H](Cn2ccnn2)C1)C(C)C ZINC000502629236 561622563 /nfs/dbraw/zinc/62/25/63/561622563.db2.gz AYXTTWPSRAZZRO-OALUTQOASA-N 1 0 374.533 2.398 20 30 FEEDRO C#Cc1cccc(NC(=O)CNC(=O)NCCCCC[NH+]2CCCC2)c1 ZINC000296777597 553210245 /nfs/dbraw/zinc/21/02/45/553210245.db2.gz GSOFYMQOFKHETI-UHFFFAOYSA-N 1 0 356.470 2.172 20 30 FEEDRO COCCOc1ccc(C#N)cc1NC(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000297030621 553244418 /nfs/dbraw/zinc/24/44/18/553244418.db2.gz AVDKBXNUHDBQDH-IBGZPJMESA-N 1 0 358.442 2.143 20 30 FEEDRO C=CCOCCCC(=O)N1CC[C@H](c2ccc(OC)c(F)c2)[C@@H]([NH3+])C1 ZINC000297153108 553256701 /nfs/dbraw/zinc/25/67/01/553256701.db2.gz JCKAMIKXZUEUIN-WBVHZDCISA-N 1 0 350.434 2.460 20 30 FEEDRO C=CCOCCCC(=O)N1CC[C@H](c2ccc(OC)c(F)c2)[C@H]([NH3+])C1 ZINC000297153102 553256794 /nfs/dbraw/zinc/25/67/94/553256794.db2.gz JCKAMIKXZUEUIN-NVXWUHKLSA-N 1 0 350.434 2.460 20 30 FEEDRO C[C@@H]1CN(C(=O)C(=O)Nc2sc(C(C)(C)C)cc2C#N)C[C@@H]1[NH+](C)C ZINC000297274899 553272152 /nfs/dbraw/zinc/27/21/52/553272152.db2.gz GLFGKOFFPABKBJ-YPMHNXCESA-N 1 0 362.499 2.264 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)NCc1ccc(NC(=O)c2ccco2)cc1 ZINC000297418529 553290040 /nfs/dbraw/zinc/29/00/40/553290040.db2.gz JKAYCGPFBXIWTC-UHFFFAOYSA-N 1 0 368.437 2.286 20 30 FEEDRO C=CCN(CCc1ccco1)C(=O)C(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000297822921 553343226 /nfs/dbraw/zinc/34/32/26/553343226.db2.gz QDAAGKJVEYNJHO-UHFFFAOYSA-N 1 0 361.486 2.027 20 30 FEEDRO COC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](Cc2ccc(OCC#N)cc2)CC1 ZINC000298183417 553395229 /nfs/dbraw/zinc/39/52/29/553395229.db2.gz AFWFWQXKSWUETE-MOPGFXCFSA-N 1 0 358.438 2.379 20 30 FEEDRO C=CCc1ccc(OC[C@H](O)C[NH+]2CCC(C(=O)OC)CC2)c(OC)c1 ZINC000298210969 553398504 /nfs/dbraw/zinc/39/85/04/553398504.db2.gz UQBSSCMQMCUJTP-QGZVFWFLSA-N 1 0 363.454 2.048 20 30 FEEDRO C[C@@H](c1ccccc1)[C@@H]([NH2+]CCC(=O)Nc1ccccc1C#N)C(N)=O ZINC000298404882 553421420 /nfs/dbraw/zinc/42/14/20/553421420.db2.gz OUYJVHBDVNLQIU-IFXJQAMLSA-N 1 0 350.422 2.134 20 30 FEEDRO C[NH+]1CCN(CCNc2c(C#N)cnc3ccc(OC(F)F)cc32)CC1 ZINC000299101053 553515483 /nfs/dbraw/zinc/51/54/83/553515483.db2.gz ZGKRSJSBFLZJRT-UHFFFAOYSA-N 1 0 361.396 2.367 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(N2CCCCCC2)cc1 ZINC000299457626 553565768 /nfs/dbraw/zinc/56/57/68/553565768.db2.gz XFSRSELVQOPYMJ-UHFFFAOYSA-N 1 0 370.497 2.077 20 30 FEEDRO N#Cc1cc(NCC2CC[NH+](CCO)CC2)nc2ccc([N+](=O)[O-])cc12 ZINC000301396349 553648396 /nfs/dbraw/zinc/64/83/96/553648396.db2.gz GBQAMQMJIRDZJZ-UHFFFAOYSA-N 1 0 355.398 2.131 20 30 FEEDRO N#Cc1ccc(C[N@H+]2CCCN(c3ncnc4nc(N)ccc43)CC2)cc1 ZINC000301796122 553680146 /nfs/dbraw/zinc/68/01/46/553680146.db2.gz SXWHWJNTODNXSH-UHFFFAOYSA-N 1 0 359.437 2.191 20 30 FEEDRO Cc1cc(NC(=O)N2CC3(CCCC3)OC[C@@H]2C[NH+](C)C)ncc1C#N ZINC000603113900 553711031 /nfs/dbraw/zinc/71/10/31/553711031.db2.gz XNOUXVNPZCDMAV-INIZCTEOSA-N 1 0 357.458 2.369 20 30 FEEDRO CC[N@H+](C[C@@H](O)COc1ccc(C#N)cc1)C[C@H]1COc2ccccc2O1 ZINC000302875758 553739272 /nfs/dbraw/zinc/73/92/72/553739272.db2.gz LKJZTZQOSHSQIQ-MJGOQNOKSA-N 1 0 368.433 2.460 20 30 FEEDRO N#CC1(C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)CCOCC1 ZINC000312071126 553755948 /nfs/dbraw/zinc/75/59/48/553755948.db2.gz NPEKDNGWUJPOOY-OALUTQOASA-N 1 0 353.466 2.287 20 30 FEEDRO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CCC[C@@H]2[C@@H]2CCCC[C@H]2O)c1 ZINC000328473155 553793990 /nfs/dbraw/zinc/79/39/90/553793990.db2.gz DSWYAOJZHBNVJD-IPMKNSEASA-N 1 0 362.495 2.347 20 30 FEEDRO Cc1nc(C)n(C[C@@H]2CCCN(C(=O)NC[C@@H]3CCCn4ccnc43)C2)n1 ZINC000328607252 553795166 /nfs/dbraw/zinc/79/51/66/553795166.db2.gz LAUBCORFMIRPMS-SJORKVTESA-N 1 0 371.489 2.295 20 30 FEEDRO O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)N1CC[C@@H](N2CCCC2=O)C1 ZINC000328613671 553796126 /nfs/dbraw/zinc/79/61/26/553796126.db2.gz QNFSBLWBHUUPHN-ZWKOTPCHSA-N 1 0 362.518 2.394 20 30 FEEDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N1CCS(=O)(=O)[C@@H]2CCCC[C@@H]21 ZINC000328616506 553796899 /nfs/dbraw/zinc/79/68/99/553796899.db2.gz SOFYBJOAIMOYOW-IXDOHACOSA-N 1 0 371.547 2.207 20 30 FEEDRO O=C(NCCc1c[nH]c2ncccc12)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000328659962 553803595 /nfs/dbraw/zinc/80/35/95/553803595.db2.gz UMXBKJUSEKRRLU-HNNXBMFYSA-N 1 0 371.485 2.110 20 30 FEEDRO O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)N1CC[C@@](F)(CO)C1 ZINC000328718256 553811852 /nfs/dbraw/zinc/81/18/52/553811852.db2.gz UYPMQAOZMJAQHJ-YOEHRIQHSA-N 1 0 355.479 2.280 20 30 FEEDRO CC[N@@H+]1C[C@@H](C)N(C(=O)C2CCN(c3oc(C)nc3C#N)CC2)C[C@@H]1C ZINC000328720169 553812142 /nfs/dbraw/zinc/81/21/42/553812142.db2.gz GPQUDURWFJTFBY-UONOGXRCSA-N 1 0 359.474 2.012 20 30 FEEDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1C[C@@H]2COC[C@H](C1)O2 ZINC000328737239 553814520 /nfs/dbraw/zinc/81/45/20/553814520.db2.gz LQMQAPZUDJAIAL-CEXWTWQISA-N 1 0 373.497 2.301 20 30 FEEDRO Cc1nc(C#N)c(N2CCC(C(=O)N3CCC[C@H]([NH+](C)C)CC3)CC2)o1 ZINC000328751123 553816343 /nfs/dbraw/zinc/81/63/43/553816343.db2.gz MYCOFIDWPTZCJX-INIZCTEOSA-N 1 0 359.474 2.014 20 30 FEEDRO C[C@H](NC(=O)C1CCCC1)C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000328777371 553820959 /nfs/dbraw/zinc/82/09/59/553820959.db2.gz IIHLUSBOFJXBHY-WMZOPIPTSA-N 1 0 364.534 2.150 20 30 FEEDRO CC1CC[NH+](C2CCC(NC(=O)N3CCC(OCCO)CC3)CC2)CC1 ZINC000328798495 553823935 /nfs/dbraw/zinc/82/39/35/553823935.db2.gz GENVISZEPMWRSC-UHFFFAOYSA-N 1 0 367.534 2.417 20 30 FEEDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)N[C@H]1CCCC12CCOCC2 ZINC000328819716 553827316 /nfs/dbraw/zinc/82/73/16/553827316.db2.gz ONUIGLUXKVHRPK-WMZOPIPTSA-N 1 0 365.518 2.435 20 30 FEEDRO C[C@H](C(=O)Nc1ccc2c(c1)OCO2)[N@@H+]1CCC[C@@H]1[C@H]1COCC[C@H]1O ZINC000328844439 553831149 /nfs/dbraw/zinc/83/11/49/553831149.db2.gz VDSQNIDRACGQLN-DTZQCDIJSA-N 1 0 362.426 2.254 20 30 FEEDRO C[C@H](C(=O)Nc1ccc2c(c1)OCO2)[N@@H+]1CCC[C@@H]1[C@H]1COCC[C@@H]1O ZINC000328844441 553831296 /nfs/dbraw/zinc/83/12/96/553831296.db2.gz VDSQNIDRACGQLN-MIGQKNRLSA-N 1 0 362.426 2.254 20 30 FEEDRO C[C@H](NC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(-n2ccnn2)cc1 ZINC000328866785 553835401 /nfs/dbraw/zinc/83/54/01/553835401.db2.gz NYELPRXASZBICJ-QGTPRVQTSA-N 1 0 354.458 2.459 20 30 FEEDRO CC(C)[C@H](NC(=O)NCc1ccccc1)C(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000328903229 553842061 /nfs/dbraw/zinc/84/20/61/553842061.db2.gz HPKACBPBRGEANA-OALUTQOASA-N 1 0 372.513 2.412 20 30 FEEDRO CC(C)[C@H](NC(=O)NCc1ccccc1)C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000328903228 553842124 /nfs/dbraw/zinc/84/21/24/553842124.db2.gz HPKACBPBRGEANA-MOPGFXCFSA-N 1 0 372.513 2.412 20 30 FEEDRO CO[C@H]1C[C@@H](CO)N(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)C1 ZINC000328974480 553856837 /nfs/dbraw/zinc/85/68/37/553856837.db2.gz PQGWDCZZBABJRE-IRXDYDNUSA-N 1 0 353.507 2.171 20 30 FEEDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCOC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000329012218 553864620 /nfs/dbraw/zinc/86/46/20/553864620.db2.gz ARSPHWDTRZIQOH-BDPHEOEISA-N 1 0 367.534 2.129 20 30 FEEDRO CO[C@@H]1CCC[C@@H]1[C@@H]1COCCN1C(=O)N[C@H](C)C1=CC[N@H+](C)CC1 ZINC000329076742 553876107 /nfs/dbraw/zinc/87/61/07/553876107.db2.gz PVQBPVGNCPCSOI-NRSFXHEJSA-N 1 0 351.491 2.067 20 30 FEEDRO C[C@@H]1C[C@H](NC(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)CCO1 ZINC000329082118 553877229 /nfs/dbraw/zinc/87/72/29/553877229.db2.gz DLJMFINHZLEBKV-IAGOWNOFSA-N 1 0 353.507 2.340 20 30 FEEDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N[C@H]1CCO[C@@H]1c1nccn1C ZINC000329144562 553888837 /nfs/dbraw/zinc/88/88/37/553888837.db2.gz WJOKFWNGJAJYBW-ALYAQQCSSA-N 1 0 363.506 2.120 20 30 FEEDRO C[C@H](Oc1ccc(F)cc1)C(=O)NC1CC[NH+]([C@H]2CCN(C)C2=O)CC1 ZINC000329153914 553890288 /nfs/dbraw/zinc/89/02/88/553890288.db2.gz BUVHDIOZFFJGIH-GUYCJALGSA-N 1 0 363.433 2.245 20 30 FEEDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCN(c4ccc(C#N)cc4F)C3)[C@@H]2C1 ZINC000329172279 553895060 /nfs/dbraw/zinc/89/50/60/553895060.db2.gz AFSJWWAVOFEITA-GPMSIDNRSA-N 1 0 356.445 2.076 20 30 FEEDRO CCSc1ccc(C(=O)NC2CC[NH+]([C@H]3CCN(C)C3=O)CC2)cn1 ZINC000329171756 553895157 /nfs/dbraw/zinc/89/51/57/553895157.db2.gz KSDYZAWUMOLJSN-HNNXBMFYSA-N 1 0 362.499 2.193 20 30 FEEDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)N[C@H]1CC(=O)N(C2CCCCC2)C1 ZINC000329173606 553895618 /nfs/dbraw/zinc/89/56/18/553895618.db2.gz LNXISDISUJZRJS-VYDXJSESSA-N 1 0 350.507 2.106 20 30 FEEDRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)NCc3nnc4n3CCC4)C2)CC1 ZINC000329189335 553898791 /nfs/dbraw/zinc/89/87/91/553898791.db2.gz PQTQACCWVYPZGC-INIZCTEOSA-N 1 0 360.506 2.082 20 30 FEEDRO O=C(Cn1c(=O)[nH]c(=O)c2ccccc21)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000329195948 553899880 /nfs/dbraw/zinc/89/98/80/553899880.db2.gz VNMFSCVYAPOKDM-ZDUSSCGKSA-N 1 0 356.426 2.076 20 30 FEEDRO CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)N[C@@H]2CCO[C@@H](C3CC3)C2)C1 ZINC000329203696 553901531 /nfs/dbraw/zinc/90/15/31/553901531.db2.gz WKKHCFXBLYRGIY-VSZNYVQBSA-N 1 0 351.491 2.043 20 30 FEEDRO CCO[C@@H]1C[C@H](NC(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)[C@@]12CCCO2 ZINC000329240650 553908873 /nfs/dbraw/zinc/90/88/73/553908873.db2.gz RCMAIGAMEMGFFT-KMOPNRPKSA-N 1 0 351.491 2.186 20 30 FEEDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cccc(N2CCCS2(=O)=O)c1 ZINC000329242127 553909196 /nfs/dbraw/zinc/90/91/96/553909196.db2.gz SEDLXOOMOSTASG-QGZVFWFLSA-N 1 0 365.499 2.406 20 30 FEEDRO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CCC[C@@H]1[C@@H]1COCC[C@H]1O ZINC000329253329 553911705 /nfs/dbraw/zinc/91/17/05/553911705.db2.gz ZBWPJXMLANPWCO-IYWMVGAKSA-N 1 0 373.497 2.037 20 30 FEEDRO C[NH+](C)[C@H](CNC(=O)N1CCOC[C@@H]1[C@@H]1CCCO1)C1CCCCC1 ZINC000329261652 553912682 /nfs/dbraw/zinc/91/26/82/553912682.db2.gz FWYZRVFUFSROSK-KURKYZTESA-N 1 0 353.507 2.291 20 30 FEEDRO C[N@@H+]1CC[C@H](NC(=O)N2CCOC[C@@H]2[C@@H]2CCCO2)[C@@H]1c1ccccc1 ZINC000329297905 553920483 /nfs/dbraw/zinc/92/04/83/553920483.db2.gz UBJDRUUUQAYPKR-RDGPPVDQSA-N 1 0 359.470 2.226 20 30 FEEDRO C[C@H](NC(=O)N(C)[C@H]1CCN(c2ccccc2)C1=O)C1=CC[N@H+](C)CC1 ZINC000329331184 553926643 /nfs/dbraw/zinc/92/66/43/553926643.db2.gz ZJLXVUKEYDKYDQ-YJBOKZPZSA-N 1 0 356.470 2.288 20 30 FEEDRO C[C@H](NC(=O)N1CC[C@H]([NH+]2CCCCC2)C1)C(=O)N1CCCC[C@@H]1C ZINC000329339558 553928531 /nfs/dbraw/zinc/92/85/31/553928531.db2.gz ZCFZFLZWHUTJEV-ULQDDVLXSA-N 1 0 350.507 2.250 20 30 FEEDRO COC1(C)CCN(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CC1 ZINC000329360421 553932079 /nfs/dbraw/zinc/93/20/79/553932079.db2.gz GVPHXUAMVHHGHD-IAGOWNOFSA-N 1 0 353.507 2.169 20 30 FEEDRO CC(C)CNC(=O)N1CCC[C@H](C(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C)C1 ZINC000329386122 553936186 /nfs/dbraw/zinc/93/61/86/553936186.db2.gz POCSCLPNORYYJY-FGTMMUONSA-N 1 0 364.534 2.354 20 30 FEEDRO O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)N1CCCC[C@H]1c1cn[nH]c1 ZINC000329431117 553946006 /nfs/dbraw/zinc/94/60/06/553946006.db2.gz KGEZPJZQBOQIJM-KSZLIROESA-N 1 0 361.490 2.229 20 30 FEEDRO C[C@@H]1CSCCN1C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C ZINC000329438541 553947315 /nfs/dbraw/zinc/94/73/15/553947315.db2.gz JRLLBRHARCYFAW-IJEWVQPXSA-N 1 0 351.520 2.154 20 30 FEEDRO CCCC(=O)N[C@@H]1CCCN(C(=O)[C@H]2COCCN2C2CCCC2)C1 ZINC000329457838 553950751 /nfs/dbraw/zinc/95/07/51/553950751.db2.gz QVNIMZIMLFEJRT-NVXWUHKLSA-N 1 0 351.491 2.377 20 30 FEEDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000329502546 553958807 /nfs/dbraw/zinc/95/88/07/553958807.db2.gz YWAKBUXICLCSFI-IAGOWNOFSA-N 1 0 350.507 2.109 20 30 FEEDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CC[C@H](NC(=O)NC2CC2)C1 ZINC000329518882 553961072 /nfs/dbraw/zinc/96/10/72/553961072.db2.gz NSCKKWAPCXEGHA-IVSAIRAKSA-N 1 0 365.522 2.007 20 30 FEEDRO C[C@@H]1CN(C(=O)NC2CC[NH+](CC3CCCC3)CC2)C[C@@H](C)S1(=O)=O ZINC000329536586 553963887 /nfs/dbraw/zinc/96/38/87/553963887.db2.gz BDHOKYITIMZARY-HUUCEWRRSA-N 1 0 371.547 2.062 20 30 FEEDRO CN(C)c1ncccc1C(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000329544810 553965178 /nfs/dbraw/zinc/96/51/78/553965178.db2.gz GHVUMRMEHZGURL-UHFFFAOYSA-N 1 0 359.518 2.403 20 30 FEEDRO CC(C)(C)c1cn2c(n1)CC[C@H](NC(=O)N1CCOCC(F)(F)C1)C2 ZINC000329679795 553987046 /nfs/dbraw/zinc/98/70/46/553987046.db2.gz WDKQJHGSRGRSCG-LBPRGKRZSA-N 1 0 356.417 2.377 20 30 FEEDRO C[NH+]1CCC2(CCCN2C(=O)NC2CCC3(CC2)NC(=O)NC3=O)CC1 ZINC000329704409 553992524 /nfs/dbraw/zinc/99/25/24/553992524.db2.gz JLSPPMHKQVQNBA-UHFFFAOYSA-N 1 0 363.462 2.026 20 30 FEEDRO O=C(N[C@H]1CCCS(=O)(=O)C1)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000329720174 553994738 /nfs/dbraw/zinc/99/47/38/553994738.db2.gz AHVDDCJVRSIDDU-KRWDZBQOSA-N 1 0 371.547 2.066 20 30 FEEDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)N[C@@H]1CCOC2(CCOCC2)C1 ZINC000329724498 553996108 /nfs/dbraw/zinc/99/61/08/553996108.db2.gz BPGKUSNWOBIRGH-NVXWUHKLSA-N 1 0 353.507 2.291 20 30 FEEDRO CC(C)n1nnnc1-c1ccccc1NC(=O)N1CC[N@H+](C)[C@H](C)[C@H]1C ZINC000329728556 553996344 /nfs/dbraw/zinc/99/63/44/553996344.db2.gz CRBBDJIZNPFVIW-ZIAGYGMSSA-N 1 0 357.462 2.491 20 30 FEEDRO C[C@]1(NC(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CCO[C@H]1C1CC1 ZINC000329765548 554002414 /nfs/dbraw/zinc/00/24/14/554002414.db2.gz XCDIMRMQTRNBST-LXZJYRNTSA-N 1 0 365.518 2.216 20 30 FEEDRO Cc1ccc(N(C)C2CCN(C(=O)N[C@@H]3C[N@H+](C4CC4)C[C@H]3C)CC2)nn1 ZINC000329816768 554011427 /nfs/dbraw/zinc/01/14/27/554011427.db2.gz WEGFHXDTJVJOAN-RDTXWAMCSA-N 1 0 372.517 2.082 20 30 FEEDRO CC(C)CC[NH+]1CCC(CNC(=O)N2C[C@@H](C)S(=O)(=O)[C@@H](C)C2)CC1 ZINC000329838070 554015870 /nfs/dbraw/zinc/01/58/70/554015870.db2.gz VPNPWVRHNINLBN-IYBDPMFKSA-N 1 0 373.563 2.166 20 30 FEEDRO CC(C)[C@@H](C(=O)NCC[N@@H+]1CCCC(C)(C)C1)N1CCCS1(=O)=O ZINC000329891960 554025562 /nfs/dbraw/zinc/02/55/62/554025562.db2.gz IPNGEINRTCUHNU-HNNXBMFYSA-N 1 0 359.536 2.125 20 30 FEEDRO C[C@H](CNC(=O)N1C[C@@]2(CCOC2)OC(C)(C)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000329912130 554029856 /nfs/dbraw/zinc/02/98/56/554029856.db2.gz BAIWPEBADDZNGW-GPMSIDNRSA-N 1 0 353.507 2.291 20 30 FEEDRO Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N(C)C[C@@H]3CCC[N@H+](C)C3)C2)n1 ZINC000329920507 554031747 /nfs/dbraw/zinc/03/17/47/554031747.db2.gz DZQAFUDGHJJUPB-IEBWSBKVSA-N 1 0 369.513 2.278 20 30 FEEDRO N#Cc1ccccc1N1CCCN(C([O-])=[NH+][C@H]2CCn3ccnc3C2)CC1 ZINC000329956529 554038371 /nfs/dbraw/zinc/03/83/71/554038371.db2.gz LHKYAQCQBWFKIJ-KRWDZBQOSA-N 1 0 364.453 2.196 20 30 FEEDRO [O-]C(N[C@@H]1CCN(c2ncccc2Cl)C1)=[NH+]C[C@@H]1CCc2nccn2C1 ZINC000329956795 554038724 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2.358 20 30 FEEDRO C[NH+](C)[C@H](CNC(=O)N1CC[C@@H](N2CCCC2=O)C1)C1CCCCC1 ZINC000330072168 554059769 /nfs/dbraw/zinc/05/97/69/554059769.db2.gz YUUAXNSMSIJIJQ-IAGOWNOFSA-N 1 0 350.507 2.108 20 30 FEEDRO CC(C)(CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)N1CCS(=O)CC1 ZINC000330083772 554061803 /nfs/dbraw/zinc/06/18/03/554061803.db2.gz QPCUDIHVDRPOHE-MRXNPFEDSA-N 1 0 369.575 2.440 20 30 FEEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc3c(c2)S(=O)(=O)CC3)C[C@H]1C ZINC000330116731 554067412 /nfs/dbraw/zinc/06/74/12/554067412.db2.gz VXALPNBSPNCZAD-CZUORRHYSA-N 1 0 365.499 2.367 20 30 FEEDRO CCO[C@@H]1C[C@H](NC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)[C@H]1OC ZINC000330127580 554069557 /nfs/dbraw/zinc/06/95/57/554069557.db2.gz MYTBFPKMUPYKDI-REEYDVFISA-N 1 0 351.491 2.042 20 30 FEEDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cnn2c1C[C@H](CNC(C)=O)CC2 ZINC000330136130 554071846 /nfs/dbraw/zinc/07/18/46/554071846.db2.gz NBUJHLMZYMJPSS-ZACQAIPSSA-N 1 0 373.501 2.121 20 30 FEEDRO CC(C)[C@@H]1OCCC[C@@H]1CNC(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000330175963 554079267 /nfs/dbraw/zinc/07/92/67/554079267.db2.gz JMYARAFCACNIMO-OWYHZJEWSA-N 1 0 367.534 2.319 20 30 FEEDRO Cc1ccc(NC(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)cc1N1CCNC1=O ZINC000330196844 554083002 /nfs/dbraw/zinc/08/30/02/554083002.db2.gz QYVSROWOQSHVJV-WMLDXEAASA-N 1 0 357.458 2.301 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)cc1F ZINC000330198810 554083669 /nfs/dbraw/zinc/08/36/69/554083669.db2.gz UQDLQULOAAYOBS-OAHLLOKOSA-N 1 0 351.447 2.336 20 30 FEEDRO CCC[N@@H+]1CCC[C@H]1C(=O)NC1CCN(c2nccn(CC)c2=O)CC1 ZINC000330223997 554088024 /nfs/dbraw/zinc/08/80/24/554088024.db2.gz SNHVKOLMUKSIQF-INIZCTEOSA-N 1 0 361.490 2.063 20 30 FEEDRO C[C@@H](CNC(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C)c1nccs1 ZINC000330228963 554089201 /nfs/dbraw/zinc/08/92/01/554089201.db2.gz PXJDLAAOLUDYGL-UONOGXRCSA-N 1 0 352.504 2.346 20 30 FEEDRO CC(C)C[C@@H]1COCCN1C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000330246165 554092175 /nfs/dbraw/zinc/09/21/75/554092175.db2.gz YBOPJXOWTGAYQM-KZNAEPCWSA-N 1 0 353.507 2.025 20 30 FEEDRO CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)NCC2CC[NH+](C3CC3)CC2)C1 ZINC000330257026 554094044 /nfs/dbraw/zinc/09/40/44/554094044.db2.gz QLAHATNLBPKDGZ-ICKUNSISSA-N 1 0 355.548 2.444 20 30 FEEDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2ccnn2C)C1 ZINC000330262088 554095209 /nfs/dbraw/zinc/09/52/09/554095209.db2.gz UQWGBQFXZPPOCS-RKVPGOIHSA-N 1 0 361.490 2.016 20 30 FEEDRO CC(C)N1C[C@H](NC(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)CC1=O ZINC000330264846 554095765 /nfs/dbraw/zinc/09/57/65/554095765.db2.gz YKFHTXMPBBTXAK-MSOLQXFVSA-N 1 0 358.486 2.336 20 30 FEEDRO C[NH+](C)CCC1CCN(C(=O)N[C@H]2CCOC3(CCOCC3)C2)CC1 ZINC000330273525 554097178 /nfs/dbraw/zinc/09/71/78/554097178.db2.gz ZIOTWJBLHXPSSQ-KRWDZBQOSA-N 1 0 353.507 2.292 20 30 FEEDRO O=C(Cn1cc(NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)cn1)NC1CC1 ZINC000330299130 554101765 /nfs/dbraw/zinc/10/17/65/554101765.db2.gz HUYRQRHBVIONMQ-INIZCTEOSA-N 1 0 361.446 2.233 20 30 FEEDRO CC(C)C[NH+]1CCC(NC(=O)N[C@@H]2CCO[C@@H](c3cncn3C)C2)CC1 ZINC000330319799 554104432 /nfs/dbraw/zinc/10/44/32/554104432.db2.gz DNUDOQRUUAAPJM-SJLPKXTDSA-N 1 0 363.506 2.264 20 30 FEEDRO Cc1c([C@H]2OCC[C@@H]2NC(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)cnn1C ZINC000330341801 554108336 /nfs/dbraw/zinc/10/83/36/554108336.db2.gz ZSWRGHSNGHRRQG-FHLIZLRMSA-N 1 0 363.506 2.183 20 30 FEEDRO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1C[C@H]2OCCN(C)[C@H]2C1 ZINC000330351133 554110122 /nfs/dbraw/zinc/11/01/22/554110122.db2.gz LWMYPRJKFQFRBW-BYCMXARLSA-N 1 0 360.483 2.100 20 30 FEEDRO C[NH+](C)C[C@H]1CCCN1S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000330372371 554112662 /nfs/dbraw/zinc/11/26/62/554112662.db2.gz KEULRMHFKNHLEB-GFCCVEGCSA-N 1 0 361.389 2.292 20 30 FEEDRO CNC(=O)NC(=O)C[NH+]1CCC(c2ccc(Br)cc2)CC1 ZINC000330390100 554114810 /nfs/dbraw/zinc/11/48/10/554114810.db2.gz YKDSVNDXACCXNU-UHFFFAOYSA-N 1 0 354.248 2.289 20 30 FEEDRO CCN1CC[C@H]([NH2+][C@H](C)C(=O)NC(=O)NC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000330442176 554122230 /nfs/dbraw/zinc/12/22/30/554122230.db2.gz PMJGLUSEUQTLTQ-WKPIXPDZSA-N 1 0 370.856 2.253 20 30 FEEDRO CC(C)C(=O)NC1CCN(C(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000330482339 554127204 /nfs/dbraw/zinc/12/72/04/554127204.db2.gz RJXHTZMJVBWSRQ-CVEARBPZSA-N 1 0 352.523 2.257 20 30 FEEDRO CC(=O)Nc1ccc(NC(=O)N2CC[N@@H+](C[C@H](C)O)C[C@H]2C)c(Cl)c1 ZINC000330553940 554137320 /nfs/dbraw/zinc/13/73/20/554137320.db2.gz USKIQFXMJHQPED-NEPJUHHUSA-N 1 0 368.865 2.231 20 30 FEEDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)c1sccc1S(=O)(=O)N(C)C ZINC000330681307 554156874 /nfs/dbraw/zinc/15/68/74/554156874.db2.gz ZTVVYIFRNLQFDJ-LBPRGKRZSA-N 1 0 359.517 2.177 20 30 FEEDRO C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CC[C@H]([NH+](C)C)C2)cc1 ZINC000330732400 554164234 /nfs/dbraw/zinc/16/42/34/554164234.db2.gz JKRJVGWONPATJC-CFVMTHIKSA-N 1 0 364.471 2.181 20 30 FEEDRO CS[C@H]1CN(C(=O)Nc2cccnc2OCC(F)F)C[C@H]1[NH+](C)C ZINC000330813552 554174770 /nfs/dbraw/zinc/17/47/70/554174770.db2.gz LHEXTKRWMITAFI-NEPJUHHUSA-N 1 0 360.430 2.248 20 30 FEEDRO C[NH+](C)CC1(CNC(=O)N2CCC(O)(C(F)(F)F)CC2)CCCC1 ZINC000330874325 554181880 /nfs/dbraw/zinc/18/18/80/554181880.db2.gz STRYMWXZCADPMP-UHFFFAOYSA-N 1 0 351.413 2.412 20 30 FEEDRO C=CCN(C)c1nnc(CN2CC[NH+](Cc3ccc(C)cc3)CC2)n1C ZINC000508430596 561762189 /nfs/dbraw/zinc/76/21/89/561762189.db2.gz YONBYNQDRKPFTB-UHFFFAOYSA-N 1 0 354.502 2.064 20 30 FEEDRO CCC[NH+]1CCC(NC(=O)Nc2ccc(C)c(S(=O)(=O)NC)c2)CC1 ZINC000330990932 554197971 /nfs/dbraw/zinc/19/79/71/554197971.db2.gz TYPXBKPIZBLOFO-UHFFFAOYSA-N 1 0 368.503 2.103 20 30 FEEDRO CCC(=O)Nc1ccc(C)c(NC(=O)N2CC[N@H+](C[C@H](C)O)[C@H](C)C2)c1 ZINC000331017483 554201354 /nfs/dbraw/zinc/20/13/54/554201354.db2.gz HSZURUBSPBSZMU-CABCVRRESA-N 1 0 362.474 2.276 20 30 FEEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cccc(S(C)(=O)=O)c2)C[C@@H]1C ZINC000331096597 554211747 /nfs/dbraw/zinc/21/17/47/554211747.db2.gz AMGUWQPHOAINFQ-ZFWWWQNUSA-N 1 0 353.488 2.440 20 30 FEEDRO C[NH+]1CCC(O)(CNC(=O)Nc2cc(F)c(OC(F)F)cc2F)CC1 ZINC000331190321 554228047 /nfs/dbraw/zinc/22/80/47/554228047.db2.gz VKNGPEYBSSTAFD-UHFFFAOYSA-N 1 0 365.327 2.349 20 30 FEEDRO CNC(=O)c1ccc(NC(=O)N2CC[N@H+](C[C@H](C)O)C[C@H]2C)cc1Cl ZINC000331201293 554229918 /nfs/dbraw/zinc/22/99/18/554229918.db2.gz WTYRJYQLZDXCFH-NEPJUHHUSA-N 1 0 368.865 2.207 20 30 FEEDRO CC(C)COc1ccc(NC(=O)N2CC[N@H+](C[C@@H](C)O)C[C@H]2C)cn1 ZINC000331202917 554230135 /nfs/dbraw/zinc/23/01/35/554230135.db2.gz XRJSCKFAKKURJZ-HUUCEWRRSA-N 1 0 350.463 2.049 20 30 FEEDRO C=CCn1c([C@@H](C)OCCOC)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000508810971 561773487 /nfs/dbraw/zinc/77/34/87/561773487.db2.gz FXQQOKADNWCBDH-SJORKVTESA-N 1 0 363.506 2.253 20 30 FEEDRO C[C@H]1C[N@@H+](C2CCN(C(=O)[C@@H](C#N)CCc3ccccc3)CC2)CCO1 ZINC000331391203 554256682 /nfs/dbraw/zinc/25/66/82/554256682.db2.gz KBFVOQRDWSNDAO-PKOBYXMFSA-N 1 0 355.482 2.471 20 30 FEEDRO C=CCn1c(-c2ccc[nH]2)nnc1N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000508897859 561777221 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Cc1nc(C#N)c(N2CCC(C(=O)N(C)[C@@H]3CC[N@@H+](C(C)C)C3)CC2)o1 ZINC000333759001 554640186 /nfs/dbraw/zinc/64/01/86/554640186.db2.gz OTORTAQKLAINFF-MRXNPFEDSA-N 1 0 359.474 2.012 20 30 FEEDRO C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@@H](C(=O)Nc2nc(C)cs2)C1 ZINC000360292379 554869676 /nfs/dbraw/zinc/86/96/76/554869676.db2.gz QTHMNXZQHZNHAO-OAHLLOKOSA-N 1 0 362.499 2.303 20 30 FEEDRO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3CC[C@@]4(CC[C@H](C)C4)C3)CC2)o1 ZINC000360682890 554885230 /nfs/dbraw/zinc/88/52/30/554885230.db2.gz WSJYFKPWUZVCGP-MGPUTAFESA-N 1 0 371.485 2.015 20 30 FEEDRO N#Cc1cnc(NCCCC[NH+]2CCN(c3ncccn3)CC2)c(Cl)c1 ZINC000511454226 561869752 /nfs/dbraw/zinc/86/97/52/561869752.db2.gz NARBJVOEDQCUJP-UHFFFAOYSA-N 1 0 371.876 2.411 20 30 FEEDRO Cc1nc(C2CCN(CC(=O)N(CCC#N)c3ccccc3)CC2)n[nH]1 ZINC000360929619 554896165 /nfs/dbraw/zinc/89/61/65/554896165.db2.gz RPIPFYQAIKZFIJ-UHFFFAOYSA-N 1 0 352.442 2.239 20 30 FEEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000363006409 555008262 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CCCC[C@H](ON=C(C)C)C(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000363890818 555207888 /nfs/dbraw/zinc/20/78/88/555207888.db2.gz SCBSKIZLUHXTMB-IBGZPJMESA-N 1 0 366.550 2.444 20 30 FEEDRO C#CCN(C(=O)C(=O)Nc1cccc2c1CC[N@@H+](CC)C2)C1CCCC1 ZINC000363926593 555215734 /nfs/dbraw/zinc/21/57/34/555215734.db2.gz JTAUMDLJHRRGDT-UHFFFAOYSA-N 1 0 353.466 2.408 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)[C@@H]2C[C@H]3CCCC[C@H]3N2c2ncccn2)CC1 ZINC000364088223 555247313 /nfs/dbraw/zinc/24/73/13/555247313.db2.gz WZZOCZJXMBFOIJ-QRQLOZEOSA-N 1 0 369.513 2.381 20 30 FEEDRO CCc1nc(CN2CCC[C@H]([N@H+](C)CCOc3ccc(C#N)cc3)C2)no1 ZINC000364108279 555251284 /nfs/dbraw/zinc/25/12/84/555251284.db2.gz PAVQLPZEOZYMKG-KRWDZBQOSA-N 1 0 369.469 2.479 20 30 FEEDRO C[C@@H]([NH2+]CCN1CCN(C(=O)C2CCC2)CC1)c1ccc(C#N)cc1F ZINC000512295886 561899176 /nfs/dbraw/zinc/89/91/76/561899176.db2.gz NRAZDAWBMQKURR-OAHLLOKOSA-N 1 0 358.461 2.292 20 30 FEEDRO C[NH+](C)CCOC1CCN(C(=O)C2(c3cc(F)cc(C#N)c3)CC2)CC1 ZINC000512311501 561899701 /nfs/dbraw/zinc/89/97/01/561899701.db2.gz BGFMSFZSTYFACP-UHFFFAOYSA-N 1 0 359.445 2.298 20 30 FEEDRO CCN1CC[NH+](C[C@@H](C)CNC(=O)C2(c3cc(F)cc(C#N)c3)CC2)CC1 ZINC000512320261 561900168 /nfs/dbraw/zinc/90/01/68/561900168.db2.gz BJRZAZGUOFSSBM-INIZCTEOSA-N 1 0 372.488 2.119 20 30 FEEDRO C[C@@H]1CN(Cc2ncc(-c3ccc(C#N)cc3)o2)CC[N@@H+]1CC(C)(C)O ZINC000364632366 555358169 /nfs/dbraw/zinc/35/81/69/555358169.db2.gz QJBMBOSWPJMGSO-OAHLLOKOSA-N 1 0 354.454 2.490 20 30 FEEDRO C[C@H](C[NH+]1CCCCC1)NC(=O)[C@@H]1CCC(=O)N1Cc1cccc(C#N)c1 ZINC000364715256 555383446 /nfs/dbraw/zinc/38/34/46/555383446.db2.gz CXBVCBBDQSHVIE-APWZRJJASA-N 1 0 368.481 2.040 20 30 FEEDRO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCC[C@@]2(CNC(=O)O2)C1 ZINC000364794742 555405024 /nfs/dbraw/zinc/40/50/24/555405024.db2.gz WYBNFFCGYYOAHO-PIGZYNQJSA-N 1 0 362.817 2.113 20 30 FEEDRO C=CC[C@@]1(C(=O)NC[C@H]2CC[N@@H+](C)C2)CCCN1C(=O)OC(C)(C)C ZINC000364930535 555440769 /nfs/dbraw/zinc/44/07/69/555440769.db2.gz NUCGEMXKPXZKDD-BEFAXECRSA-N 1 0 351.491 2.400 20 30 FEEDRO CCCC[N@H+](C)CCNC(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 ZINC000512611118 561910079 /nfs/dbraw/zinc/91/00/79/561910079.db2.gz HXVGNKYNGKQSCJ-IBGZPJMESA-N 1 0 357.502 2.138 20 30 FEEDRO C=CCOc1cccc(C[NH2+]C[C@H]2CCCC[C@H]2NS(C)(=O)=O)c1 ZINC000512862653 561918125 /nfs/dbraw/zinc/91/81/25/561918125.db2.gz WAOIMNINKFTQPY-SJLPKXTDSA-N 1 0 352.500 2.449 20 30 FEEDRO C=CCOc1cccc(C[NH2+]C[C@H]2CCCC[C@@H]2NS(C)(=O)=O)c1 ZINC000512862651 561918235 /nfs/dbraw/zinc/91/82/35/561918235.db2.gz WAOIMNINKFTQPY-AEFFLSMTSA-N 1 0 352.500 2.449 20 30 FEEDRO CC(C)[NH+](CCNC(=O)[C@H]1CCC(=O)N1Cc1cccc(C#N)c1)C(C)C ZINC000365090157 555483077 /nfs/dbraw/zinc/48/30/77/555483077.db2.gz SHYFVQPVHMAFRS-LJQANCHMSA-N 1 0 370.497 2.284 20 30 FEEDRO N#Cc1ccc(-c2nnc(C[NH2+][C@H]3CCCC[C@@H]3N3CCOCC3)o2)cc1 ZINC000365617725 555623912 /nfs/dbraw/zinc/62/39/12/555623912.db2.gz CQXPOUSQDZXCEP-ROUUACIJSA-N 1 0 367.453 2.341 20 30 FEEDRO CCCCCCCCNC(=[NH2+])NC[C@H]1CCC[C@]12NC(=O)N(C)C2=O ZINC000365691270 555642045 /nfs/dbraw/zinc/64/20/45/555642045.db2.gz JJPYYWBQGBXFQC-KDOFPFPSSA-N 1 0 351.495 2.181 20 30 FEEDRO C=CCNC(=O)CNC(=O)NC[C@H](c1ccc(CC(C)C)cc1)[NH+](C)C ZINC000513378025 561936129 /nfs/dbraw/zinc/93/61/29/561936129.db2.gz NQHIGJPTXLNBSX-GOSISDBHSA-N 1 0 360.502 2.089 20 30 FEEDRO C=CCOc1ccc(C[N@H+]2C[C@@H](c3cnn(C)c3)[C@H](CO)C2)cc1OC ZINC000365827386 555676732 /nfs/dbraw/zinc/67/67/32/555676732.db2.gz BQYMKBVSEJMQPX-ROUUACIJSA-N 1 0 357.454 2.201 20 30 FEEDRO Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N[C@@H]3C[N@H+](C4CC4)C[C@H]3C)C2)n1 ZINC000366039771 555734147 /nfs/dbraw/zinc/73/41/47/555734147.db2.gz HIXBCTRIBOWFIS-DKSSEZFCSA-N 1 0 367.497 2.077 20 30 FEEDRO C[N@H+](CCC(=O)Nc1ccc(C#N)cc1)C1CCN(c2cnccn2)CC1 ZINC000366102360 555752002 /nfs/dbraw/zinc/75/20/02/555752002.db2.gz FTLKJNUBGCBESW-UHFFFAOYSA-N 1 0 364.453 2.278 20 30 FEEDRO CC(C)(C)NC(=O)CN1CCC[N@H+](CCCOc2cccc(C#N)c2)CC1 ZINC000366298546 555804697 /nfs/dbraw/zinc/80/46/97/555804697.db2.gz QOQCMGPJTUGHFS-UHFFFAOYSA-N 1 0 372.513 2.250 20 30 FEEDRO Cc1c(C#N)cccc1C(=O)Nc1ccc(OC[C@H](O)C[NH+](C)C)cc1 ZINC000513839695 561952135 /nfs/dbraw/zinc/95/21/35/561952135.db2.gz OWJXYYFCVJKMLX-QGZVFWFLSA-N 1 0 353.422 2.420 20 30 FEEDRO Cc1ccccc1[C@@H](C)NC(=O)[C@H](C)[NH+]1CCC(n2cnc(C#N)n2)CC1 ZINC000366370438 555824679 /nfs/dbraw/zinc/82/46/79/555824679.db2.gz BWRDDIZRJABQPP-CVEARBPZSA-N 1 0 366.469 2.361 20 30 FEEDRO CS(=O)(=O)CC[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC000366372907 555825566 /nfs/dbraw/zinc/82/55/66/555825566.db2.gz DEVZXXSNVQOKIH-QGZVFWFLSA-N 1 0 363.483 2.176 20 30 FEEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@@H]2C[NH2+]CCC[C@H]21 ZINC000366448144 555847067 /nfs/dbraw/zinc/84/70/67/555847067.db2.gz MCANZSXMXFYEJL-CRAIPNDOSA-N 1 0 356.470 2.199 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@@H]1C ZINC000366704874 555913462 /nfs/dbraw/zinc/91/34/62/555913462.db2.gz SZFUNABAOMUMMS-APAFKAMOSA-N 1 0 365.518 2.156 20 30 FEEDRO C=C(C)CS(=O)(=O)N(C)C[C@@H]1CCC[N@@H+](CC)[C@H]1c1cnn(C)c1 ZINC000367192522 556002939 /nfs/dbraw/zinc/00/29/39/556002939.db2.gz BKZYXTFXDVEKCD-DOTOQJQBSA-N 1 0 354.520 2.031 20 30 FEEDRO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)Nc1cccc2c1CC[N@@H+](CC)C2 ZINC000367194497 556003590 /nfs/dbraw/zinc/00/35/90/556003590.db2.gz JRMRKUQQPUDVPQ-DNVCBOLYSA-N 1 0 371.481 2.101 20 30 FEEDRO Cc1cccc(N(CCC#N)C(=O)C[NH2+][C@H]2CCC(=O)N[C@H]2C2CC2)c1C ZINC000367460134 556056755 /nfs/dbraw/zinc/05/67/55/556056755.db2.gz YQIUXQVPSWTVLL-UWJYYQICSA-N 1 0 368.481 2.197 20 30 FEEDRO N#Cc1ccc(OC[C@H](O)CNC2(c3noc(C(F)F)n3)CCC2)cc1 ZINC000367861312 556157356 /nfs/dbraw/zinc/15/73/56/556157356.db2.gz ZQVXBFQPUGEBLY-GFCCVEGCSA-N 1 0 364.352 2.288 20 30 FEEDRO COCC(=O)N1CCC([NH2+]Cc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000515017941 561992143 /nfs/dbraw/zinc/99/21/43/561992143.db2.gz BABWLJGBOPUCMZ-UHFFFAOYSA-N 1 0 355.360 2.304 20 30 FEEDRO CN(CCC#N)C[C@@H](O)C[NH2+][C@@H]1CSc2ccc(Br)cc21 ZINC000515166436 561998626 /nfs/dbraw/zinc/99/86/26/561998626.db2.gz PCNSTMGUNKNYJK-GXTWGEPZSA-N 1 0 370.316 2.392 20 30 FEEDRO CN(CCC#N)C[C@H](O)C[NH2+][C@H]1CSc2ccc(Br)cc21 ZINC000515166438 561998818 /nfs/dbraw/zinc/99/88/18/561998818.db2.gz PCNSTMGUNKNYJK-OCCSQVGLSA-N 1 0 370.316 2.392 20 30 FEEDRO C[C@H](N[C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C)C(=O)Nc1ccccc1C#N ZINC000368417260 556302212 /nfs/dbraw/zinc/30/22/12/556302212.db2.gz QMESTDBXNWCCAR-KCITZHQASA-N 1 0 370.497 2.364 20 30 FEEDRO CC1(C)CN(C(=O)C2CCN(c3c(F)cc(C#N)cc3F)CC2)CC[NH2+]1 ZINC000368698261 556389730 /nfs/dbraw/zinc/38/97/30/556389730.db2.gz KRELJMPJJSOEHU-UHFFFAOYSA-N 1 0 362.424 2.263 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N[C@H]2CCCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000368729627 556399244 /nfs/dbraw/zinc/39/92/44/556399244.db2.gz QICYUVOFSCAJEY-KRWDZBQOSA-N 1 0 363.502 2.237 20 30 FEEDRO N#CC[C@@H]1CC[C@H](NC(=O)NC[C@@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)C1 ZINC000515608001 562016777 /nfs/dbraw/zinc/01/67/77/562016777.db2.gz SLMHBGWVUKNYPR-WNHJNPCNSA-N 1 0 356.470 2.003 20 30 FEEDRO N#Cc1ccc(OC[C@@H](O)C[NH2+][C@@H]2CCN(c3ccc(F)cc3)C2)cc1 ZINC000515638010 562017783 /nfs/dbraw/zinc/01/77/83/562017783.db2.gz NGVFTFOBOGFFMQ-MJGOQNOKSA-N 1 0 355.413 2.306 20 30 FEEDRO COc1cc(C[NH+]2CCC(NC(=O)c3cc(C)on3)CC2)ccc1C#N ZINC000369115492 556508595 /nfs/dbraw/zinc/50/85/95/556508595.db2.gz IRTVUMMVMMNEPQ-UHFFFAOYSA-N 1 0 354.410 2.258 20 30 FEEDRO C[N@@H+]1CCC[C@]2(CCN(S(=O)(=O)c3ccc(C#N)cc3Cl)C2)C1 ZINC000515875430 562024333 /nfs/dbraw/zinc/02/43/33/562024333.db2.gz ZSIOYENQKISAJP-INIZCTEOSA-N 1 0 353.875 2.318 20 30 FEEDRO N#Cc1ccc(OCC(=O)NC[C@@H]2CCC[N@H+](Cc3cccnc3)C2)cc1 ZINC000369165017 556522878 /nfs/dbraw/zinc/52/28/78/556522878.db2.gz RQMCNWMDECHBSH-IBGZPJMESA-N 1 0 364.449 2.360 20 30 FEEDRO Cn1cc2c(n1)CCC[C@H]2C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000369173057 556524956 /nfs/dbraw/zinc/52/49/56/556524956.db2.gz DQQFQNNOIRVPLH-GOSISDBHSA-N 1 0 365.481 2.302 20 30 FEEDRO N#C[C@@H]1CN(C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)CCN1C1CC1 ZINC000369218225 556538440 /nfs/dbraw/zinc/53/84/40/556538440.db2.gz GUBNQRGDKKUDMT-QZTJIDSGSA-N 1 0 371.485 2.188 20 30 FEEDRO N#Cc1cccc(CNC(=O)CN2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000369312406 556571796 /nfs/dbraw/zinc/57/17/96/556571796.db2.gz OJYJHCHBWPIQIM-SZPZYZBQSA-N 1 0 374.488 2.238 20 30 FEEDRO COc1ccc2c(C[NH+]3CCC(n4cnc(C#N)n4)CC3)cc(=O)oc2c1 ZINC000369389994 556587787 /nfs/dbraw/zinc/58/77/87/556587787.db2.gz VMOJCZUQCAUYPK-UHFFFAOYSA-N 1 0 365.393 2.102 20 30 FEEDRO Cn1cc([C@@H]2[C@H](C[NH2+]Cc3cnc4ccc(C#N)cn34)CCCN2C)cn1 ZINC000369479059 556608033 /nfs/dbraw/zinc/60/80/33/556608033.db2.gz RBBLMOLNIMCQIP-JXFKEZNVSA-N 1 0 363.469 2.112 20 30 FEEDRO C=CCc1cc(C[N@@H+]2C[C@H]3COCC[C@@]3(C(=O)OC)C2)cc(OC)c1O ZINC000369537870 556624567 /nfs/dbraw/zinc/62/45/67/556624567.db2.gz VVKTZZOFVYHXDI-OXJNMPFZSA-N 1 0 361.438 2.141 20 30 FEEDRO COc1cc(C#N)ccc1OCC[N@@H+]1CCC[C@@H]1Cn1nc(C)nc1C ZINC000369593058 556641721 /nfs/dbraw/zinc/64/17/21/556641721.db2.gz TVEPHTRVXRUILC-QGZVFWFLSA-N 1 0 355.442 2.319 20 30 FEEDRO C#CCOc1ccc(C(=O)N2CCC(CC[NH+]3CCOCC3)CC2)cc1 ZINC000369629941 556652296 /nfs/dbraw/zinc/65/22/96/556652296.db2.gz PAQJMPGAGABODQ-UHFFFAOYSA-N 1 0 356.466 2.273 20 30 FEEDRO C=CCc1ccc(OCC(=O)N2CCC[C@@H]2CN2CCOCC2)c(OC)c1 ZINC000369709856 556674707 /nfs/dbraw/zinc/67/47/07/556674707.db2.gz UKXJWCPSBOXNMO-GOSISDBHSA-N 1 0 374.481 2.126 20 30 FEEDRO CN(CCC[NH+]1CCCC1)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 ZINC000369714410 556675630 /nfs/dbraw/zinc/67/56/30/556675630.db2.gz IPEVWZVWEWGJSO-UHFFFAOYSA-N 1 0 370.501 2.049 20 30 FEEDRO C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)[NH+]1CCC(n2cnc(C#N)n2)CC1 ZINC000369731305 556680212 /nfs/dbraw/zinc/68/02/12/556680212.db2.gz UPDCLWHROBUQDI-AESZEHBQSA-N 1 0 358.490 2.116 20 30 FEEDRO C[C@@H](NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)c1cnn(C)c1 ZINC000369792330 556696455 /nfs/dbraw/zinc/69/64/55/556696455.db2.gz GPFPETKDWXJHTO-MRXNPFEDSA-N 1 0 366.469 2.270 20 30 FEEDRO Cc1cc(=NC(=O)N[C@@H]2c3ccccc3CC[C@H]2[NH+](C)C)[nH]n1CCC#N ZINC000369851415 556712423 /nfs/dbraw/zinc/71/24/23/556712423.db2.gz JJNKSILXBCDSRT-IEBWSBKVSA-N 1 0 366.469 2.844 20 30 FEEDRO C[C@H](c1ccccc1)[C@@H](O)C[NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000516563791 562048175 /nfs/dbraw/zinc/04/81/75/562048175.db2.gz UQYOTORUHWWYRE-HBGVWJBISA-N 1 0 363.461 2.413 20 30 FEEDRO COCCc1ccc(OC[C@H](O)C[NH2+]Cc2ccc(C#N)c(F)c2)cc1 ZINC000516563794 562048189 /nfs/dbraw/zinc/04/81/89/562048189.db2.gz UTDPIBDRDQBNIL-GOSISDBHSA-N 1 0 358.413 2.416 20 30 FEEDRO CCN(C[C@H](C)C#N)S(=O)(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000370005310 556755873 /nfs/dbraw/zinc/75/58/73/556755873.db2.gz HROFGLPISDTHRT-MRXNPFEDSA-N 1 0 370.563 2.347 20 30 FEEDRO CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1cccs1 ZINC000370295251 556832260 /nfs/dbraw/zinc/83/22/60/556832260.db2.gz VMRQRHUPBDOLJG-IJEWVQPXSA-N 1 0 370.544 2.057 20 30 FEEDRO CN1CCC[C@]2(CC[N@H+](Cc3nnc(-c4ccc(C#N)cc4)o3)C2)C1=O ZINC000370410742 556865530 /nfs/dbraw/zinc/86/55/30/556865530.db2.gz RJHJVRBKYKDWCJ-LJQANCHMSA-N 1 0 351.410 2.053 20 30 FEEDRO C=CCC[C@H](O)C[NH+]1CCC(C(=O)c2ccc3c(c2)NC(=O)CO3)CC1 ZINC000370503222 556892751 /nfs/dbraw/zinc/89/27/51/556892751.db2.gz PYBGEQVJCACNCW-INIZCTEOSA-N 1 0 358.438 2.239 20 30 FEEDRO Cc1cc(NC(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)nn1-c1cccc(C#N)c1 ZINC000370696063 556942988 /nfs/dbraw/zinc/94/29/88/556942988.db2.gz FGRCEZVQLCYDSN-SJORKVTESA-N 1 0 364.453 2.801 20 30 FEEDRO N#Cc1ccc(C(=O)NCC(=O)N2CCC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000370771040 556962830 /nfs/dbraw/zinc/96/28/30/556962830.db2.gz CYISLXBKVDVQQK-GOSISDBHSA-N 1 0 368.481 2.013 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)NC2CCN(c3ccccn3)CC2)CC1 ZINC000370807579 556974312 /nfs/dbraw/zinc/97/43/12/556974312.db2.gz DBCSRTMMOSNZCT-UHFFFAOYSA-N 1 0 357.502 2.390 20 30 FEEDRO C[C@H]1C[C@@H](NC(=O)N(C)CCOCc2ccc(C#N)cc2)C[N@@H+]1C1CC1 ZINC000516991976 562069724 /nfs/dbraw/zinc/06/97/24/562069724.db2.gz DDJOIJHEVVBEOZ-MAUKXSAKSA-N 1 0 356.470 2.341 20 30 FEEDRO CC(C)Oc1ccc(NC(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc1C#N ZINC000370910042 557011473 /nfs/dbraw/zinc/01/14/73/557011473.db2.gz YTFFKVPCQDDSSY-DLBZAZTESA-N 1 0 358.442 2.330 20 30 FEEDRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)Nc2cccc(CC#N)c2)CC1=O ZINC000517014117 562071088 /nfs/dbraw/zinc/07/10/88/562071088.db2.gz IVUINMMPQUUSMJ-SJLPKXTDSA-N 1 0 354.454 2.024 20 30 FEEDRO Cc1ncc(C[N@@H+]2CC[C@H](NC(=O)C3(C#N)CCOCC3)[C@@H](C)C2)s1 ZINC000370960503 557028717 /nfs/dbraw/zinc/02/87/17/557028717.db2.gz GTFSFGGPMVTZAS-BBRMVZONSA-N 1 0 362.499 2.099 20 30 FEEDRO Cc1ncc(C[N@@H+]2CC[C@@H](NC(=O)C3(C#N)CCOCC3)[C@@H](C)C2)s1 ZINC000370960506 557028981 /nfs/dbraw/zinc/02/89/81/557028981.db2.gz GTFSFGGPMVTZAS-XJKSGUPXSA-N 1 0 362.499 2.099 20 30 FEEDRO C#CCOc1ccccc1C[NH2+]C1CCC(N2CCCS2(=O)=O)CC1 ZINC000371083439 557069248 /nfs/dbraw/zinc/06/92/48/557069248.db2.gz BTJVJGXVYSNCGR-UHFFFAOYSA-N 1 0 362.495 2.135 20 30 FEEDRO CCCN1CC[NH+](C2CCN(Cc3cnc4ccc(C#N)cn34)CC2)CC1 ZINC000371324833 557146491 /nfs/dbraw/zinc/14/64/91/557146491.db2.gz AVUFRRXHORAMAG-UHFFFAOYSA-N 1 0 366.513 2.198 20 30 FEEDRO CC(C)(CC[NH+]1CCCCCC1)NS(=O)(=O)c1cncc(C#N)c1 ZINC000517785256 562098110 /nfs/dbraw/zinc/09/81/10/562098110.db2.gz WXKQZGBEGVCZIO-UHFFFAOYSA-N 1 0 350.488 2.276 20 30 FEEDRO COc1ccc(O[C@H](C)C[NH2+]C[C@@H](O)COc2ccc(C#N)cc2)cc1 ZINC000518362690 562109726 /nfs/dbraw/zinc/10/97/26/562109726.db2.gz SVRKYHQPWLNHQD-NVXWUHKLSA-N 1 0 356.422 2.364 20 30 FEEDRO Cc1cc(C#N)ccc1S(=O)(=O)N1C[C@H](C[NH+](C)C)Oc2ccccc21 ZINC000372016929 557357607 /nfs/dbraw/zinc/35/76/07/557357607.db2.gz JKIBPMAKFZLCHW-INIZCTEOSA-N 1 0 371.462 2.385 20 30 FEEDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000372341412 557444810 /nfs/dbraw/zinc/44/48/10/557444810.db2.gz BSFIYBCRFRYNMZ-CCKFTAQKSA-N 1 0 354.454 2.124 20 30 FEEDRO C[C@@H](C#N)Oc1ccc(C[NH+]2CCC(CC(=O)N3CCOCC3)CC2)cc1 ZINC000372413571 557464601 /nfs/dbraw/zinc/46/46/01/557464601.db2.gz NZOCKPDYVVZOEL-KRWDZBQOSA-N 1 0 371.481 2.438 20 30 FEEDRO C[N@@H+]1CC[C@@H](CNC(=O)COc2ccccc2C#N)[C@@H]1c1cccnc1 ZINC000372421365 557466339 /nfs/dbraw/zinc/46/63/39/557466339.db2.gz KNKDEBSOPDQXHY-PXNSSMCTSA-N 1 0 350.422 2.141 20 30 FEEDRO C#CCN(Cc1ccc(F)cc1)C(=O)NC[C@@H]1CCC[C@@H]1[NH+]1CCOCC1 ZINC000372563405 557505840 /nfs/dbraw/zinc/50/58/40/557505840.db2.gz KFEATKLVWIPOOD-ICSRJNTNSA-N 1 0 373.472 2.471 20 30 FEEDRO CC(C)(C)c1csc(NC(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)c1C#N ZINC000519528310 562133662 /nfs/dbraw/zinc/13/36/62/562133662.db2.gz HPVQSTHJNBOQDD-GOSISDBHSA-N 1 0 360.483 2.068 20 30 FEEDRO Cc1ccc(C#N)c(N2CCC[C@H](C(=O)NC[C@H](C)C[NH+]3CCCC3)C2)n1 ZINC000372673719 557533942 /nfs/dbraw/zinc/53/39/42/557533942.db2.gz IOYQEQNJSKXZHA-LPHOPBHVSA-N 1 0 369.513 2.326 20 30 FEEDRO CCOc1cc(C[NH+]2CCC(NC(=O)CSCC#N)CC2)ccc1O ZINC000372715060 557545354 /nfs/dbraw/zinc/54/53/54/557545354.db2.gz MAHSBDMCQXMEMC-UHFFFAOYSA-N 1 0 363.483 2.128 20 30 FEEDRO N#Cc1ccc([C@H](O)C[NH+]2CCC(C(=O)Nc3ccccn3)CC2)cc1 ZINC000372809116 557566218 /nfs/dbraw/zinc/56/62/18/557566218.db2.gz WPMSNHNNZFXJSO-GOSISDBHSA-N 1 0 350.422 2.337 20 30 FEEDRO CC[NH+]1CCC(N(C)C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2C(=O)CC#N)CC1 ZINC000372954286 557596465 /nfs/dbraw/zinc/59/64/65/557596465.db2.gz LRDNUORRFPLVFQ-SZMVWBNQSA-N 1 0 360.502 2.002 20 30 FEEDRO CCCN([C@H]1CC[NH2+]C1)S(=O)(=O)c1cccc(Br)c1C#N ZINC000519768839 562143281 /nfs/dbraw/zinc/14/32/81/562143281.db2.gz LVBCLLVOEAHSAP-NSHDSACASA-N 1 0 372.288 2.083 20 30 FEEDRO CCN(Cc1ccccc1)C(=O)[C@H](C)[NH+]1CCC(n2cnc(C#N)n2)CC1 ZINC000373408182 557688331 /nfs/dbraw/zinc/68/83/31/557688331.db2.gz WYPSSJXLXVHJSC-INIZCTEOSA-N 1 0 366.469 2.224 20 30 FEEDRO C[C@@H]([NH2+]C[C@@H]1CCCCN1S(=O)(=O)N(C)C)c1ccc(C#N)c(F)c1 ZINC000520650069 562160974 /nfs/dbraw/zinc/16/09/74/562160974.db2.gz ITVJUURKMSDKQN-CJNGLKHVSA-N 1 0 368.478 2.009 20 30 FEEDRO C=CCN1CC[C@H](N(C)C(=O)N[C@@H]2c3ccccc3CC[C@H]2[NH+](C)C)C1=O ZINC000373950427 557794745 /nfs/dbraw/zinc/79/47/45/557794745.db2.gz MOZHWFBUOSSNJE-CEXWTWQISA-N 1 0 370.497 2.032 20 30 FEEDRO C=CCN1CC[C@H]([N@@H+](C)C2CCN(c3ncnc4ccccc43)CC2)C1=O ZINC000374111157 557825104 /nfs/dbraw/zinc/82/51/04/557825104.db2.gz ZXVSJNOZOSOQDB-IBGZPJMESA-N 1 0 365.481 2.317 20 30 FEEDRO COc1cc(C#N)ccc1OCC[N@@H+]1CCC[C@H]1[C@@H]1CCCN1C(C)=O ZINC000374175770 557837769 /nfs/dbraw/zinc/83/77/69/557837769.db2.gz PHZQHISQGMRVHW-ROUUACIJSA-N 1 0 357.454 2.421 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+]C[C@@H]1CN(C2CC2)CCO1 ZINC000374222360 557845791 /nfs/dbraw/zinc/84/57/91/557845791.db2.gz KPFGSLRWCZHTMD-DOTOQJQBSA-N 1 0 363.527 2.104 20 30 FEEDRO N#CC1CCC(CNC(=O)N2CCC(CC[NH+]3CCOCC3)CC2)CC1 ZINC000374245304 557849944 /nfs/dbraw/zinc/84/99/44/557849944.db2.gz QLXCIOLKYRQWCU-UHFFFAOYSA-N 1 0 362.518 2.460 20 30 FEEDRO C[C@H](C(=O)N1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O)[NH+]1CCCCCC1 ZINC000374385328 557876329 /nfs/dbraw/zinc/87/63/29/557876329.db2.gz KWPYUHQBKZIUNZ-XFQAVAEZSA-N 1 0 366.465 2.123 20 30 FEEDRO N#Cc1ccsc1NC(=O)CC[N@H+]1CCC[C@@H](c2ccnc(N)n2)C1 ZINC000374580516 557902292 /nfs/dbraw/zinc/90/22/92/557902292.db2.gz QUVQXIODSIEAEF-CYBMUJFWSA-N 1 0 356.455 2.200 20 30 FEEDRO CN(CCN1CCOCC1)C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000521118674 562169980 /nfs/dbraw/zinc/16/99/80/562169980.db2.gz IOAZWGJVNVFBLR-UHFFFAOYSA-N 1 0 366.421 2.150 20 30 FEEDRO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC[C@]2(C1)c1ccccc1NC2=O ZINC000375311974 558007510 /nfs/dbraw/zinc/00/75/10/558007510.db2.gz ZGPLNJXCBFTNQD-SZNDQCEHSA-N 1 0 360.417 2.481 20 30 FEEDRO C#CC[C@@H](C)NC(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1c1cnn(C)c1 ZINC000375466303 558032090 /nfs/dbraw/zinc/03/20/90/558032090.db2.gz SXHVBQODBFBXRI-AHRSYUTCSA-N 1 0 350.466 2.164 20 30 FEEDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000375691577 558068236 /nfs/dbraw/zinc/06/82/36/558068236.db2.gz XFBYDUYSIFWKJW-OCCSQVGLSA-N 1 0 353.875 2.459 20 30 FEEDRO N#Cc1cccc(C[NH2+]C[C@@H]2CCN(S(=O)(=O)c3cccs3)C2)c1 ZINC000375737601 558074771 /nfs/dbraw/zinc/07/47/71/558074771.db2.gz CULCTPUCXNAINY-INIZCTEOSA-N 1 0 361.492 2.420 20 30 FEEDRO N#Cc1c(F)ccc(C[NH2+][C@@H]2CCCN(S(=O)(=O)C3CC3)C2)c1Cl ZINC000375738363 558075079 /nfs/dbraw/zinc/07/50/79/558075079.db2.gz NHMRXLPHTVEGRQ-GFCCVEGCSA-N 1 0 371.865 2.397 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N2CCC[C@@]2(CO)Cc2ccccc2)CC1 ZINC000376411276 558169626 /nfs/dbraw/zinc/16/96/26/558169626.db2.gz QLIAUAPMRIRQAY-NRFANRHFSA-N 1 0 357.498 2.416 20 30 FEEDRO Cn1cc([C@@H]2NC(=O)CC[C@H]2[NH2+]Cc2cccc(OCCCC#N)c2)cn1 ZINC000376993208 558249204 /nfs/dbraw/zinc/24/92/04/558249204.db2.gz MDYGVXDSBMPVBC-QUCCMNQESA-N 1 0 367.453 2.212 20 30 FEEDRO Cc1nn(C)c(C)c1[C@H]1[C@H](C[NH2+]Cc2cccc(C#N)c2)CC(=O)N1C ZINC000377370808 558327509 /nfs/dbraw/zinc/32/75/09/558327509.db2.gz ZRXFLRRAPCNDAZ-FXAWDEMLSA-N 1 0 351.454 2.218 20 30 FEEDRO C=CCN(C(=O)CCCCNC(N)=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000377573133 558368623 /nfs/dbraw/zinc/36/86/23/558368623.db2.gz NANKJZYQJLCIOA-GOSISDBHSA-N 1 0 358.486 2.114 20 30 FEEDRO C[C@](C#N)(NC(=O)CN1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1)C1CC1 ZINC000377732534 558407600 /nfs/dbraw/zinc/40/76/00/558407600.db2.gz MMTQNEBRACUNLH-CNNODRBYSA-N 1 0 366.509 2.249 20 30 FEEDRO C[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2cccc(C#N)c2)[C@@H]1c1cccs1 ZINC000377758144 558413161 /nfs/dbraw/zinc/41/31/61/558413161.db2.gz BIJKNKFDYRSMCU-RHSMWYFYSA-N 1 0 368.462 2.367 20 30 FEEDRO N#CCOc1ccc(CNC(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)cc1 ZINC000377808966 558424231 /nfs/dbraw/zinc/42/42/31/558424231.db2.gz JPFWUCCHDHOELD-QXAKKESOSA-N 1 0 354.454 2.215 20 30 FEEDRO COc1ccc(C[NH2+][C@@H]2CC(=O)N([C@H]3C[C@@H]3C)C2)cc1OCCCC#N ZINC000377838097 558432491 /nfs/dbraw/zinc/43/24/91/558432491.db2.gz VNXWQAILRGCQND-UAGQMJEPSA-N 1 0 357.454 2.477 20 30 FEEDRO COCCC[N@H+](C)CCNC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000377881074 558441076 /nfs/dbraw/zinc/44/10/76/558441076.db2.gz USDBDFDFQSXYJI-MOPGFXCFSA-N 1 0 358.486 2.436 20 30 FEEDRO CCOC(=O)CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)Cc1ccc(C#N)cc1 ZINC000522881042 562205388 /nfs/dbraw/zinc/20/53/88/562205388.db2.gz FVKTWBRJDZMAAK-IBGZPJMESA-N 1 0 371.481 2.367 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@@H](NC(=O)N2CCCC2)[C@@H](C)CC)CC1 ZINC000522884705 562205444 /nfs/dbraw/zinc/20/54/44/562205444.db2.gz OLEPCZOGYYCAJA-WMZOPIPTSA-N 1 0 364.534 2.363 20 30 FEEDRO C=CCN(C(=O)[C@@H](O)c1cccnc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000378318448 558528668 /nfs/dbraw/zinc/52/86/68/558528668.db2.gz UVRUCSWRMWCVEJ-UXHICEINSA-N 1 0 351.450 2.404 20 30 FEEDRO C#Cc1cccc(NC(=O)C(=O)N2CCC3(C[C@@H]3C[N@@H+](C)C3CC3)CC2)c1 ZINC000378339224 558533305 /nfs/dbraw/zinc/53/33/05/558533305.db2.gz VWTMXFFHZYGOAS-QGZVFWFLSA-N 1 0 365.477 2.329 20 30 FEEDRO N#C[C@@H](c1cccs1)N1CCN(C(=O)C[NH+]2CCC3(CC3)CC2)CC1 ZINC000378444944 558559095 /nfs/dbraw/zinc/55/90/95/558559095.db2.gz ZGPLJBNJYUCRIB-INIZCTEOSA-N 1 0 358.511 2.333 20 30 FEEDRO CCCC(=O)NC[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000523607390 562215821 /nfs/dbraw/zinc/21/58/21/562215821.db2.gz XIJMOINCYXXOBE-BXWFABGCSA-N 1 0 350.507 2.058 20 30 FEEDRO Cc1cc(NC(=O)NCc2cccc(-c3nccn3C)c2)nn1CCC#N ZINC000378516937 558573494 /nfs/dbraw/zinc/57/34/94/558573494.db2.gz DFIJKTDLPICFRE-UHFFFAOYSA-N 1 0 363.425 2.827 20 30 FEEDRO N#Cc1ccc(CNC(=O)C[N@@H+]2CC[C@@H](n3cc4ccccc4n3)C2)cc1 ZINC000378568692 558585328 /nfs/dbraw/zinc/58/53/28/558585328.db2.gz OVKSZVDAPBJHPI-LJQANCHMSA-N 1 0 359.433 2.471 20 30 FEEDRO N#Cc1cccc(CNC(=O)C[N@@H+]2CC[C@@H](n3cc4ccccc4n3)C2)c1 ZINC000378572929 558586583 /nfs/dbraw/zinc/58/65/83/558586583.db2.gz CSVWPLOGBHBQGJ-LJQANCHMSA-N 1 0 359.433 2.471 20 30 FEEDRO CN([C@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)c1ccccc1C#N ZINC000385200249 558606278 /nfs/dbraw/zinc/60/62/78/558606278.db2.gz SJGCZQVAPULTDP-SFHVURJKSA-N 1 0 355.463 2.453 20 30 FEEDRO CCN(CCC#N)S(=O)(=O)NCc1ccc(C[NH+](CC)CC)cc1 ZINC000409557086 558702934 /nfs/dbraw/zinc/70/29/34/558702934.db2.gz PJQPVEYADMAYFJ-UHFFFAOYSA-N 1 0 352.504 2.098 20 30 FEEDRO CC[NH+](CC)CCN(Cc1cccs1)S(=O)(=O)N(C)C[C@@H](C)C#N ZINC000409557517 558703000 /nfs/dbraw/zinc/70/30/00/558703000.db2.gz QZCHSNLXHJWUIG-HNNXBMFYSA-N 1 0 372.560 2.228 20 30 FEEDRO CC[NH+](CC)CCN(Cc1ccccc1)S(=O)(=O)N(C)C[C@H](C)C#N ZINC000409583479 558704873 /nfs/dbraw/zinc/70/48/73/558704873.db2.gz USKNKHKCVRWVRD-QGZVFWFLSA-N 1 0 366.531 2.167 20 30 FEEDRO CCN(CCC#N)S(=O)(=O)N[C@H](C)[C@@H](c1ccccc1C)[NH+](C)C ZINC000410405022 558755567 /nfs/dbraw/zinc/75/55/67/558755567.db2.gz CFIMCJYFGXRNNX-WBVHZDCISA-N 1 0 352.504 2.056 20 30 FEEDRO CCO[C@@H]1COCC[C@H]1[NH2+]CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000411554254 558916304 /nfs/dbraw/zinc/91/63/04/558916304.db2.gz FGKWMYCLDUZZTJ-HUUCEWRRSA-N 1 0 363.483 2.221 20 30 FEEDRO C[C@@H](c1ccccc1)[C@@H]([NH2+]CCC(=O)Nc1cccc(C#N)c1)C(N)=O ZINC000411754624 558957073 /nfs/dbraw/zinc/95/70/73/558957073.db2.gz HNDGWBMKJRHOHR-IFXJQAMLSA-N 1 0 350.422 2.134 20 30 FEEDRO CC[N@@H+](CC(=O)NC1(C#N)CCC1)CC1CCN(c2ccccn2)CC1 ZINC000525893947 562258891 /nfs/dbraw/zinc/25/88/91/562258891.db2.gz DTFHDSIHPGOJJM-UHFFFAOYSA-N 1 0 355.486 2.182 20 30 FEEDRO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@](C(N)=O)(c2ccccc2)C1 ZINC000411973209 558998056 /nfs/dbraw/zinc/99/80/56/558998056.db2.gz WWGGFURWKNZKSG-QVKFZJNVSA-N 1 0 362.433 2.014 20 30 FEEDRO CC(C)[N@H+](C[C@H]1CCC(=O)N1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000412065078 559008880 /nfs/dbraw/zinc/00/88/80/559008880.db2.gz CVEYLOYKGLADMU-AEFFLSMTSA-N 1 0 354.454 2.043 20 30 FEEDRO N#Cc1ccc(OCCNC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)cc1 ZINC000412139621 559016710 /nfs/dbraw/zinc/01/67/10/559016710.db2.gz AIMXWJGJMKGVEE-KRWDZBQOSA-N 1 0 359.495 2.271 20 30 FEEDRO CC(=O)c1ncc(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)s1 ZINC000413272029 559094409 /nfs/dbraw/zinc/09/44/09/559094409.db2.gz WYSFZKBQBJUBIY-UHFFFAOYSA-N 1 0 356.451 2.421 20 30 FEEDRO C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCC([NH3+])(CC)CC)cc1 ZINC000414891970 559193507 /nfs/dbraw/zinc/19/35/07/559193507.db2.gz ISTRTIZBNDJZFF-UHFFFAOYSA-N 1 0 368.503 2.132 20 30 FEEDRO N#Cc1cccc(NC(=O)c2cccc(NC(=O)N[C@@H]3[C@H]4C[NH2+]C[C@H]43)c2)c1 ZINC000414963179 559197464 /nfs/dbraw/zinc/19/74/64/559197464.db2.gz XLGIKMZXEKZZBV-PIIMJCKOSA-N 1 0 361.405 2.150 20 30 FEEDRO C=CCOc1cccc(NC(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])c1 ZINC000415009272 559200303 /nfs/dbraw/zinc/20/03/03/559200303.db2.gz FFSCCVJJVTZPMB-MRXNPFEDSA-N 1 0 360.458 2.103 20 30 FEEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)NC[C@H]2C[NH2+]CCCO2)cc1 ZINC000415008552 559200437 /nfs/dbraw/zinc/20/04/37/559200437.db2.gz FDURFNCUCNNNDC-GOSISDBHSA-N 1 0 372.469 2.001 20 30 FEEDRO C=CCOc1c(Br)cc(CN(C)C[C@H](O)C[NH3+])cc1OCC ZINC000415051197 559202498 /nfs/dbraw/zinc/20/24/98/559202498.db2.gz GSVGXRKSKQEHJP-CYBMUJFWSA-N 1 0 373.291 2.164 20 30 FEEDRO C[C@H](C#N)CSc1ccccc1NC(=O)NCCCN1CC[NH2+]CC1 ZINC000415171977 559211772 /nfs/dbraw/zinc/21/17/72/559211772.db2.gz YLSFTWLPNWISSB-OAHLLOKOSA-N 1 0 361.515 2.355 20 30 FEEDRO Cn1ncc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)c1C#N ZINC000527250537 562282288 /nfs/dbraw/zinc/28/22/88/562282288.db2.gz MEFJEFMYPXLQOI-PKOBYXMFSA-N 1 0 363.465 2.418 20 30 FEEDRO CN(CC(C)(C)C#N)C(=O)C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000415241499 559217467 /nfs/dbraw/zinc/21/74/67/559217467.db2.gz LRPAEJCIZYYZBT-UHFFFAOYSA-N 1 0 356.348 2.111 20 30 FEEDRO O=C(NC[C@H]1CCC[NH2+]C1)C(=O)Nc1ccccc1C#Cc1ccccc1 ZINC000415330049 559224675 /nfs/dbraw/zinc/22/46/75/559224675.db2.gz FCYCWRYGQGMWRM-SFHVURJKSA-N 1 0 361.445 2.141 20 30 FEEDRO C[C@H](NC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)[C@@H]1CCC[NH2+]C1 ZINC000415350879 559226477 /nfs/dbraw/zinc/22/64/77/559226477.db2.gz IJZGECRMMSNSSH-CMPLNLGQSA-N 1 0 368.359 2.020 20 30 FEEDRO C[NH2+]CC1CCN(C(=O)C(=O)Nc2ccccc2SC[C@H](C)C#N)CC1 ZINC000415397729 559231377 /nfs/dbraw/zinc/23/13/77/559231377.db2.gz JGAKGKUJWFEWLX-CQSZACIVSA-N 1 0 374.510 2.335 20 30 FEEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000415414498 559232900 /nfs/dbraw/zinc/23/29/00/559232900.db2.gz ZUSVOLPBQDLGLP-HUUCEWRRSA-N 1 0 374.510 2.383 20 30 FEEDRO CCCN(C(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)[C@@H]1CC[NH2+]C1 ZINC000415412926 559232927 /nfs/dbraw/zinc/23/29/27/559232927.db2.gz YLQYYURTDNVJKA-CYBMUJFWSA-N 1 0 368.359 2.116 20 30 FEEDRO C[C@@H]1CN(C(=O)C(=O)Nc2ccccc2C#Cc2ccccc2)CC[C@H]1[NH3+] ZINC000415435799 559236553 /nfs/dbraw/zinc/23/65/53/559236553.db2.gz JRSNSUAZPHYVAN-VQIMIIECSA-N 1 0 361.445 2.221 20 30 FEEDRO C[C@H]1CCN(C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)C[C@H]1C[NH3+] ZINC000415458042 559239380 /nfs/dbraw/zinc/23/93/80/559239380.db2.gz LNPAHIXFUMODDM-GXTWGEPZSA-N 1 0 372.860 2.846 20 30 FEEDRO N#Cc1ccc(-n2ccc(NC(=O)N3CCC[C@H](CC[NH3+])C3)n2)c(Cl)c1 ZINC000415465022 559239941 /nfs/dbraw/zinc/23/99/41/559239941.db2.gz SBCDNHVIAQDQCT-CYBMUJFWSA-N 1 0 372.860 2.990 20 30 FEEDRO CCC([NH3+])(CC)CNC(=O)C(=O)Nc1nc(-c2cccc(C#N)c2)cs1 ZINC000415478446 559241645 /nfs/dbraw/zinc/24/16/45/559241645.db2.gz BIKUCOZIRPSJNZ-UHFFFAOYSA-N 1 0 371.466 2.254 20 30 FEEDRO CC(C)Oc1ccc(NC(=O)C(=O)N(C)CC[C@H]([NH3+])C(C)C)cc1C#N ZINC000415493277 559243126 /nfs/dbraw/zinc/24/31/26/559243126.db2.gz DAXXOWUVCCDWJY-INIZCTEOSA-N 1 0 360.458 2.116 20 30 FEEDRO CCCC[C@H](C[NH3+])NC(=O)C(=O)Nc1sc(C(C)(C)C)cc1C#N ZINC000415494373 559243128 /nfs/dbraw/zinc/24/31/28/559243128.db2.gz IDSBOOZYOQUNFE-GFCCVEGCSA-N 1 0 350.488 2.489 20 30 FEEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000415515172 559245596 /nfs/dbraw/zinc/24/55/96/559245596.db2.gz DAZHJZKCUHQXPO-MJBXVCDLSA-N 1 0 360.483 2.215 20 30 FEEDRO CC(C)[C@@H]1CCc2c(C#N)c(NC(=O)C(=O)NC[C@@H]([NH3+])C3CC3)sc2C1 ZINC000415537096 559247692 /nfs/dbraw/zinc/24/76/92/559247692.db2.gz GMILJJVMXLMNBG-IUODEOHRSA-N 1 0 374.510 2.173 20 30 FEEDRO N#CCCCN1c2ccc(NC(=O)NCC3([NH3+])CCC3)cc2CCC1=O ZINC000415555953 559249246 /nfs/dbraw/zinc/24/92/46/559249246.db2.gz GNDVBURWLXALLT-UHFFFAOYSA-N 1 0 355.442 2.272 20 30 FEEDRO N#CCCCN1C(=O)CCc2cc(NC(=O)NC[C@H]3CCC[NH2+]C3)ccc21 ZINC000415563661 559250123 /nfs/dbraw/zinc/25/01/23/559250123.db2.gz PQYQJNQFHFARDC-HNNXBMFYSA-N 1 0 369.469 2.391 20 30 FEEDRO CC(C)(C)n1cc(C#N)cc1NC(=O)N1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000415585406 559252778 /nfs/dbraw/zinc/25/27/78/559252778.db2.gz XKEZUAZGUQQKDE-HNNXBMFYSA-N 1 0 359.474 2.334 20 30 FEEDRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)Nc2ccccc2C#Cc2ccccc2)C1 ZINC000415585335 559252807 /nfs/dbraw/zinc/25/28/07/559252807.db2.gz XEIPIJUEBRULPJ-VQIMIIECSA-N 1 0 361.445 2.221 20 30 FEEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000415633151 559256917 /nfs/dbraw/zinc/25/69/17/559256917.db2.gz PVBKSFXATHQHLE-SOUVJXGZSA-N 1 0 372.494 2.372 20 30 FEEDRO N#Cc1cc(NC(=O)N2CCCO[C@H](C[NH3+])C2)ccc1OC(F)(F)F ZINC000415657561 559258939 /nfs/dbraw/zinc/25/89/39/559258939.db2.gz OAWFTCYBLIWLFP-GFCCVEGCSA-N 1 0 358.320 2.038 20 30 FEEDRO C[C@H](CCCC[NH3+])NC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000415746335 559267078 /nfs/dbraw/zinc/26/70/78/559267078.db2.gz UNSURLSASXECOG-SNVBAGLBSA-N 1 0 356.348 2.149 20 30 FEEDRO C=C(C)COc1cccc(NC(=O)C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000415875147 559280593 /nfs/dbraw/zinc/28/05/93/559280593.db2.gz YEPUSPKYNBERAS-YQQAZPJKSA-N 1 0 357.454 2.084 20 30 FEEDRO CC(C)(C)c1csc(NC(=O)C(=O)NCCC2=CC[NH2+]CC2)c1C#N ZINC000415893558 559281372 /nfs/dbraw/zinc/28/13/72/559281372.db2.gz NFEDACBRINMHFP-UHFFFAOYSA-N 1 0 360.483 2.282 20 30 FEEDRO C[NH2+]Cc1cccc(NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)c1 ZINC000415918883 559282513 /nfs/dbraw/zinc/28/25/13/559282513.db2.gz MBDYLEJITJZGIR-UHFFFAOYSA-N 1 0 350.426 2.027 20 30 FEEDRO N#Cc1ccc(N2CCC[C@@H](NC(=O)Nc3ncccc3C[NH3+])C2)c(F)c1 ZINC000415990508 559287525 /nfs/dbraw/zinc/28/75/25/559287525.db2.gz TWFMAKSDRSPFME-OAHLLOKOSA-N 1 0 368.416 2.342 20 30 FEEDRO C[C@@H](C#N)S(=O)(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000416395678 559309991 /nfs/dbraw/zinc/30/99/91/559309991.db2.gz XEEWCJPTJMIRPL-LBPRGKRZSA-N 1 0 374.304 2.055 20 30 FEEDRO C[C@@H](C#N)S(=O)(=O)NC1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000416456350 559314231 /nfs/dbraw/zinc/31/42/31/559314231.db2.gz GYGCPACVUQGYSY-ZDUSSCGKSA-N 1 0 371.890 2.015 20 30 FEEDRO C[N@@H+]1CCC[C@H](CCNS(=O)(=O)c2ccc(CC#N)cc2Cl)C1 ZINC000416563687 559322151 /nfs/dbraw/zinc/32/21/51/559322151.db2.gz YLFSZNGLYGKRAE-CQSZACIVSA-N 1 0 355.891 2.416 20 30 FEEDRO CO[C@@H]1CCN(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)[C@@H](C[NH3+])C1 ZINC000416953872 559340089 /nfs/dbraw/zinc/34/00/89/559340089.db2.gz VVNMBWMLVPSEMH-HZPDHXFCSA-N 1 0 369.387 2.205 20 30 FEEDRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)C1 ZINC000417577221 559367349 /nfs/dbraw/zinc/36/73/49/559367349.db2.gz LOTMZBRLVRWYCD-BHYGNILZSA-N 1 0 373.476 2.435 20 30 FEEDRO C=CCCOCCNC(=O)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000417955370 559383782 /nfs/dbraw/zinc/38/37/82/559383782.db2.gz GUKLTZFVKFQANX-WMLDXEAASA-N 1 0 353.413 2.302 20 30 FEEDRO C=CCCOCCNC(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000417955371 559383821 /nfs/dbraw/zinc/38/38/21/559383821.db2.gz GUKLTZFVKFQANX-YOEHRIQHSA-N 1 0 353.413 2.302 20 30 FEEDRO N#Cc1cccnc1OC1CCC(NC(=O)NCCC[C@H]2CCC[NH2+]2)CC1 ZINC000418051907 559388287 /nfs/dbraw/zinc/38/82/87/559388287.db2.gz SUYZGLJZAOFVRQ-WWDZGPRUSA-N 1 0 371.485 2.475 20 30 FEEDRO C=CCSc1ccccc1NC(=O)CN1C[C@H](C)[N@@H+](CCO)C[C@H]1C ZINC000419317526 559436666 /nfs/dbraw/zinc/43/66/66/559436666.db2.gz AJOBMCHBBDNSCT-JKSUJKDBSA-N 1 0 363.527 2.290 20 30 FEEDRO N#CCC[C@H](NC(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1)c1ccccc1 ZINC000419480177 559444671 /nfs/dbraw/zinc/44/46/71/559444671.db2.gz VZZQRXQHMGFECU-OALUTQOASA-N 1 0 368.481 2.138 20 30 FEEDRO C[C@H]1CN(C(=O)N[C@@H]2CCCc3cc(C#N)ccc32)CC[N@@H+]1CC(C)(C)O ZINC000419619005 559450134 /nfs/dbraw/zinc/45/01/34/559450134.db2.gz PEXXUMKCKDHEER-HNAYVOBHSA-N 1 0 370.497 2.422 20 30 FEEDRO C=C(C)[C@@H](NC(=O)C(=O)N[C@@H](C[NH3+])CCCC)c1ccc(F)c(F)c1 ZINC000419678571 559453448 /nfs/dbraw/zinc/45/34/48/559453448.db2.gz OJHYETHXTADHHA-CZUORRHYSA-N 1 0 353.413 2.332 20 30 FEEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000419921075 559464594 /nfs/dbraw/zinc/46/45/94/559464594.db2.gz XMXILPNCGQGPGE-LJQANCHMSA-N 1 0 364.449 2.113 20 30 FEEDRO CC(C)N(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000419962917 559466576 /nfs/dbraw/zinc/46/65/76/559466576.db2.gz HJJUNXWBSQRFQW-LJQANCHMSA-N 1 0 370.497 2.319 20 30 FEEDRO C=CCN(Cc1ccccc1F)C(=O)C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000419980918 559467518 /nfs/dbraw/zinc/46/75/18/559467518.db2.gz SNBVBNMRSVHDEO-GOSISDBHSA-N 1 0 361.461 2.364 20 30 FEEDRO C=C(C)CN(Cc1ccccc1)C(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000420196596 559476166 /nfs/dbraw/zinc/47/61/66/559476166.db2.gz APGYUPBYYOYOGP-GBESFXJTSA-N 1 0 355.482 2.096 20 30 FEEDRO CC[NH+]1CCC(N2CCCN(c3ccc(C#N)cc3[N+](=O)[O-])CC2)CC1 ZINC000420630153 559494442 /nfs/dbraw/zinc/49/44/42/559494442.db2.gz SGWXRIUCWZSUOL-UHFFFAOYSA-N 1 0 357.458 2.463 20 30 FEEDRO CN(C[C@@H]1CCC[N@@H+]1C)S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000420764074 559503048 /nfs/dbraw/zinc/50/30/48/559503048.db2.gz JQQDXUWSXQEZLV-ZDUSSCGKSA-N 1 0 372.288 2.035 20 30 FEEDRO CN(C[C@H]1CCC[N@@H+]1C)S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000420764072 559503151 /nfs/dbraw/zinc/50/31/51/559503151.db2.gz JQQDXUWSXQEZLV-CYBMUJFWSA-N 1 0 372.288 2.035 20 30 FEEDRO COC1CC[NH+](C(C)(C)CNC(=O)NCc2ccc(C#N)s2)CC1 ZINC000420782483 559504111 /nfs/dbraw/zinc/50/41/11/559504111.db2.gz DCBNGUPVDZVWQJ-UHFFFAOYSA-N 1 0 350.488 2.308 20 30 FEEDRO C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)NCCC[NH+]1CCCCC1 ZINC000420981859 559516735 /nfs/dbraw/zinc/51/67/35/559516735.db2.gz XAHLUYXHFAQEFO-IBGZPJMESA-N 1 0 357.498 2.282 20 30 FEEDRO CNC(=O)[C@@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)C1 ZINC000420980422 559516742 /nfs/dbraw/zinc/51/67/42/559516742.db2.gz USMIHXKBWHNSJS-CHWSQXEVSA-N 1 0 374.510 2.141 20 30 FEEDRO CCOC(=O)c1c(NC(=O)N[C@H](C)C2=CC[N@H+](C)CC2)c(C#N)cn1CC ZINC000421169465 559528300 /nfs/dbraw/zinc/52/83/00/559528300.db2.gz BGYVJBOYBLKCHH-CYBMUJFWSA-N 1 0 373.457 2.328 20 30 FEEDRO CCOC(=O)c1c(NC(=O)N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)c(C#N)cn1CC ZINC000421182569 559529489 /nfs/dbraw/zinc/52/94/89/559529489.db2.gz LIQJEROSMNLPER-BETUJISGSA-N 1 0 361.446 2.113 20 30 FEEDRO C=CCn1c(CC2CC2)nnc1N1CCC[N@@H+](C2CCN(CC)CC2)CC1 ZINC000421258190 559534073 /nfs/dbraw/zinc/53/40/73/559534073.db2.gz DTTKJZWDNFPCCH-UHFFFAOYSA-N 1 0 372.561 2.413 20 30 FEEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000421292471 559536454 /nfs/dbraw/zinc/53/64/54/559536454.db2.gz BEKPNSDMPUBPMP-HUUCEWRRSA-N 1 0 374.510 2.429 20 30 FEEDRO C[C@@H](NC(=O)C(=O)NCC(C)(C)CC#N)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000422432652 559587932 /nfs/dbraw/zinc/58/79/32/559587932.db2.gz XMHKEXRLVPDTLO-SJLPKXTDSA-N 1 0 370.497 2.069 20 30 FEEDRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)C(=O)NCC(C)(C)CC#N)C2)CC1 ZINC000422483511 559591075 /nfs/dbraw/zinc/59/10/75/559591075.db2.gz XKZDVHZOABDYRO-KRWDZBQOSA-N 1 0 362.518 2.013 20 30 FEEDRO C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000422529363 559593101 /nfs/dbraw/zinc/59/31/01/559593101.db2.gz OYEGQRNIQOQQSB-AQNXPRMDSA-N 1 0 369.509 2.233 20 30 FEEDRO C=CCN(Cc1ccccc1)C(=O)C(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000423130780 559620197 /nfs/dbraw/zinc/62/01/97/559620197.db2.gz YZXHPWJGQVPJIH-MOPGFXCFSA-N 1 0 355.482 2.049 20 30 FEEDRO C=C(C)CN(Cc1ccccc1)C(=O)C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000423360574 559626649 /nfs/dbraw/zinc/62/66/49/559626649.db2.gz FVDWVBHCMJBJDV-FQEVSTJZSA-N 1 0 369.509 2.439 20 30 FEEDRO C=CCN(CCc1ccco1)C(=O)C(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1 ZINC000423446222 559629371 /nfs/dbraw/zinc/62/93/71/559629371.db2.gz CJVSOBUFIBQSBM-GOSISDBHSA-N 1 0 373.497 2.073 20 30 FEEDRO COc1cc(C#N)ccc1NC(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000527309322 562284804 /nfs/dbraw/zinc/28/48/04/562284804.db2.gz NVZZIXWDIKALQK-UHFFFAOYSA-N 1 0 371.485 2.058 20 30 FEEDRO COc1cc(Br)c(NC(=O)[C@H]([NH3+])CCCC#N)cc1OC ZINC000424102559 559654881 /nfs/dbraw/zinc/65/48/81/559654881.db2.gz OYGOAXJQLMKBQI-SNVBAGLBSA-N 1 0 356.220 2.426 20 30 FEEDRO CN(C)C(=O)C[C@H]1CN(C(=O)[C@H]([NH3+])CCCC#N)c2ccc(Cl)cc21 ZINC000424120088 559655398 /nfs/dbraw/zinc/65/53/98/559655398.db2.gz GPNSWSMHANIVPB-SWLSCSKDSA-N 1 0 362.861 2.270 20 30 FEEDRO COc1cc2[nH]c(CCCNC(=O)[C@@H]([NH3+])CCCC#N)cc2c(OC)c1 ZINC000424158718 559656475 /nfs/dbraw/zinc/65/64/75/559656475.db2.gz UIRSXYZQRDCGGY-INIZCTEOSA-N 1 0 358.442 2.255 20 30 FEEDRO N#CCCC[C@@H]([NH3+])C(=O)N1CCO[C@H](c2cccc(OC(F)F)c2)C1 ZINC000424167170 559656528 /nfs/dbraw/zinc/65/65/28/559656528.db2.gz GWSJXHUAYMMENK-CABCVRRESA-N 1 0 353.369 2.209 20 30 FEEDRO N#CCCC[C@H]([NH3+])C(=O)N1CCC[C@@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000424164990 559656579 /nfs/dbraw/zinc/65/65/79/559656579.db2.gz CXMPTWRHAHSTEG-CVEARBPZSA-N 1 0 352.442 2.199 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@](C)([NH3+])c1ccc(Br)cc1 ZINC000424209454 559657882 /nfs/dbraw/zinc/65/78/82/559657882.db2.gz LOMJKTMQUMHYLO-PJODQICGSA-N 1 0 353.260 2.330 20 30 FEEDRO Cn1cc([C@@H]2CN(C(=O)N[C@@H](CCCC#N)c3ccccc3)C[C@H]2[NH3+])cn1 ZINC000424474187 559666597 /nfs/dbraw/zinc/66/65/97/559666597.db2.gz IDLXBTPMVKWYQX-OTWHNJEPSA-N 1 0 366.469 2.291 20 30 FEEDRO C=CCC1(C(=O)N2CC[C@@H](OCC[NH+]3CCCCC3)C2)CCOCC1 ZINC000424713134 559674394 /nfs/dbraw/zinc/67/43/94/559674394.db2.gz BLUPFLBMTOJWOW-GOSISDBHSA-N 1 0 350.503 2.463 20 30 FEEDRO C=CCC1(C(=O)N(C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CCOCC1 ZINC000424790787 559676820 /nfs/dbraw/zinc/67/68/20/559676820.db2.gz LCYIHUBIRNCALW-QFIPXVFZSA-N 1 0 372.509 2.455 20 30 FEEDRO C=CCCn1cc(C(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)nn1 ZINC000424809681 559677465 /nfs/dbraw/zinc/67/74/65/559677465.db2.gz IRLSMWCLSUPUSW-UHFFFAOYSA-N 1 0 371.407 2.389 20 30 FEEDRO C[N@@H+]1C[C@@H]2CCCN(S(=O)(=O)c3ccc(C(F)(F)F)c(C#N)c3)[C@@H]2C1 ZINC000425213678 559691701 /nfs/dbraw/zinc/69/17/01/559691701.db2.gz HJAPCTWSUROQKD-XHDPSFHLSA-N 1 0 373.400 2.292 20 30 FEEDRO Cc1cc(N2CCCN(S(=O)(=O)c3ccccc3)CC2)c(C#N)cn1 ZINC000425216417 559691902 /nfs/dbraw/zinc/69/19/02/559691902.db2.gz QWVGUUSWCVBWMT-UHFFFAOYSA-N 1 0 356.451 2.163 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]C1CC(C(=O)OC(C)C)(C(=O)OC(C)C)C1 ZINC000425352232 559698024 /nfs/dbraw/zinc/69/80/24/559698024.db2.gz KGUZIDVVCVLGQB-HOCLYGCPSA-N 1 0 353.459 2.219 20 30 FEEDRO C[C@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000425386770 559699385 /nfs/dbraw/zinc/69/93/85/559699385.db2.gz PUJKHXLCJSMHAI-APWZRJJASA-N 1 0 370.497 2.410 20 30 FEEDRO C=CCn1cc(CNC(=O)N[C@H](C[N@H+](C)Cc2ccccc2)C(C)C)nn1 ZINC000425502263 559706222 /nfs/dbraw/zinc/70/62/22/559706222.db2.gz PNVGMOMQTNUCSL-LJQANCHMSA-N 1 0 370.501 2.420 20 30 FEEDRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN(C)[C@@H](C)c2cccc(C#N)c2)C1 ZINC000425547019 559708976 /nfs/dbraw/zinc/70/89/76/559708976.db2.gz WWNUUXFAOFNTEW-FXAWDEMLSA-N 1 0 372.513 2.024 20 30 FEEDRO C=CCn1cc(CNC(=O)N2CC[N@H+](Cc3ccccc3)[C@H](CC)C2)nn1 ZINC000425562725 559709937 /nfs/dbraw/zinc/70/99/37/559709937.db2.gz GXMRVRJQFHUEEL-LJQANCHMSA-N 1 0 368.485 2.270 20 30 FEEDRO C=CCn1cc(CNC(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)nn1 ZINC000425645191 559712808 /nfs/dbraw/zinc/71/28/08/559712808.db2.gz OICKDNNJVVNUET-OAHLLOKOSA-N 1 0 360.487 2.162 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1ccccc1C(F)F ZINC000425767993 559718528 /nfs/dbraw/zinc/71/85/28/559718528.db2.gz LRIQTRRHKJWKQG-UHFFFAOYSA-N 1 0 352.385 2.257 20 30 FEEDRO C[C@H](CNC(=O)C(=O)N(C)[C@H](C)c1cccc(C#N)c1)[NH+]1CCC(C)CC1 ZINC000425874353 559723663 /nfs/dbraw/zinc/72/36/63/559723663.db2.gz CHXGHZBOEJRGBZ-IAGOWNOFSA-N 1 0 370.497 2.314 20 30 FEEDRO C[C@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000425908509 559724930 /nfs/dbraw/zinc/72/49/30/559724930.db2.gz IFZLTQPFHYAGNY-BEFAXECRSA-N 1 0 368.481 2.211 20 30 FEEDRO N#Cc1c(F)cccc1C(=O)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000427258062 559751518 /nfs/dbraw/zinc/75/15/18/559751518.db2.gz BEQIUALPZSDGOH-HXUWFJFHSA-N 1 0 353.397 2.064 20 30 FEEDRO N#Cc1ccc(O[C@@H]2CC[N@@H+](CCOc3cccc([N+](=O)[O-])c3)C2)nc1 ZINC000428786463 559783364 /nfs/dbraw/zinc/78/33/64/559783364.db2.gz NMEOTAVLAFPYEF-QGZVFWFLSA-N 1 0 354.366 2.394 20 30 FEEDRO CS(=O)(=O)CC[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1cccc(C#N)c1 ZINC000428864262 559785187 /nfs/dbraw/zinc/78/51/87/559785187.db2.gz SIRFSNQNUBZRDA-KRWDZBQOSA-N 1 0 363.483 2.176 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2CCC3(CC[NH2+]C3)CC2)cc1C(F)(F)F ZINC000431035591 559832946 /nfs/dbraw/zinc/83/29/46/559832946.db2.gz SYXRWXVSUWTJMH-UHFFFAOYSA-N 1 0 373.400 2.341 20 30 FEEDRO CN(C)c1cc(C#N)cc(C(=O)NC2CC[NH+](Cc3ccccn3)CC2)c1 ZINC000432398690 559858062 /nfs/dbraw/zinc/85/80/62/559858062.db2.gz FHCYGNJEPRGHMC-UHFFFAOYSA-N 1 0 363.465 2.414 20 30 FEEDRO CC(=O)N1CCC(NC(=O)C[NH2+][C@H](CCCC#N)c2ccccc2)CC1 ZINC000433015365 559869915 /nfs/dbraw/zinc/86/99/15/559869915.db2.gz WVQFZXGDZCVDAZ-LJQANCHMSA-N 1 0 356.470 2.138 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)NCCOCC(F)(F)C(F)F)CC1 ZINC000433606352 559884886 /nfs/dbraw/zinc/88/48/86/559884886.db2.gz CHJZXXAUSYCXMX-UHFFFAOYSA-N 1 0 355.376 2.243 20 30 FEEDRO CCOC(=O)CC1([NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)CCCC1 ZINC000434617066 559903730 /nfs/dbraw/zinc/90/37/30/559903730.db2.gz RTQGPZBEJDVLSW-UHFFFAOYSA-N 1 0 364.467 2.188 20 30 FEEDRO C=C(C)COc1cccc(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000439596431 559997717 /nfs/dbraw/zinc/99/77/17/559997717.db2.gz ONGPYIGLWYEQRW-QGZVFWFLSA-N 1 0 357.454 2.275 20 30 FEEDRO C[C@H]([NH2+]CCNS(=O)(=O)c1ccc(F)cc1F)c1cccc(C#N)c1 ZINC000442096843 560043874 /nfs/dbraw/zinc/04/38/74/560043874.db2.gz IVMIBXCXXLRSIC-LBPRGKRZSA-N 1 0 365.405 2.466 20 30 FEEDRO N#C[C@H]1CC[C@H]([NH2+]Cc2cccc(NC(=O)CCN3CCOCC3)c2)C1 ZINC000442717994 560055167 /nfs/dbraw/zinc/05/51/67/560055167.db2.gz PMPRJTGVCITJKM-WMZOPIPTSA-N 1 0 356.470 2.129 20 30 FEEDRO C=CCCS(=O)(=O)N1CCN(Cc2ccccc2OCC)C[C@H]1C ZINC000443085801 560070013 /nfs/dbraw/zinc/07/00/13/560070013.db2.gz DBTBWGPQRVLOKI-MRXNPFEDSA-N 1 0 352.500 2.497 20 30 FEEDRO CCOC(=O)[C@H]1CCCN(C(=O)C[N@H+](C)CCCCC(C)(C)C#N)C1 ZINC000444602514 560116260 /nfs/dbraw/zinc/11/62/60/560116260.db2.gz KBLMZPWSQCTDPI-INIZCTEOSA-N 1 0 351.491 2.440 20 30 FEEDRO CC(C)[C@H](CC(F)(F)F)[NH2+]CC(=O)N1CCN([C@H](C#N)C(C)C)CC1 ZINC000445904203 560136608 /nfs/dbraw/zinc/13/66/08/560136608.db2.gz OQMVFGYJTPRWBE-LSDHHAIUSA-N 1 0 362.440 2.245 20 30 FEEDRO C[C@@H]1CN(c2ccnc(C(=O)N(CCC#N)CCC[NH+](C)C)c2)C[C@H](C)O1 ZINC000446021261 560138157 /nfs/dbraw/zinc/13/81/57/560138157.db2.gz RJSADPQZQWRSRP-CALCHBBNSA-N 1 0 373.501 2.003 20 30 FEEDRO CC[N@H+](CCNC(=O)NC1CCC(Oc2ncccc2C#N)CC1)C1CC1 ZINC000446534936 560147227 /nfs/dbraw/zinc/14/72/27/560147227.db2.gz GBMUZWUBFPFJRY-UHFFFAOYSA-N 1 0 371.485 2.427 20 30 FEEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cc(C#N)ccc2Cl)C[C@H]1C ZINC000447229145 560158253 /nfs/dbraw/zinc/15/82/53/560158253.db2.gz GXCZJEFUQPFEET-TZMCWYRMSA-N 1 0 362.861 2.481 20 30 FEEDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000448329446 560184746 /nfs/dbraw/zinc/18/47/46/560184746.db2.gz WGLLDQPDCPXUDB-OAHLLOKOSA-N 1 0 373.501 2.290 20 30 FEEDRO COc1ccc(CNc2ccc(C(=O)NCC[NH+](C)C)cc2)cc1C#N ZINC000527762241 562302984 /nfs/dbraw/zinc/30/29/84/562302984.db2.gz HNVCQZDITLALNF-UHFFFAOYSA-N 1 0 352.438 2.470 20 30 FEEDRO Cn1c(C#N)ccc1C(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000448741506 560197545 /nfs/dbraw/zinc/19/75/45/560197545.db2.gz ZTPUKRDXKRUUPX-UHFFFAOYSA-N 1 0 365.481 2.229 20 30 FEEDRO CC1(C#N)CCC([NH2+]CCC(=O)N2CCN(c3ccccn3)CC2)CC1 ZINC000449106875 560216245 /nfs/dbraw/zinc/21/62/45/560216245.db2.gz NFIQDUVJZCCHRD-UHFFFAOYSA-N 1 0 355.486 2.182 20 30 FEEDRO N#CCCn1cc(C[NH2+]C[C@H]2CCCCN2CCO)c(-c2ccccc2)n1 ZINC000449395696 560228829 /nfs/dbraw/zinc/22/88/29/560228829.db2.gz QGRVZNYZAGAYFP-HXUWFJFHSA-N 1 0 367.497 2.400 20 30 FEEDRO CC(C)[NH+]1CCN(C(=O)COc2cccc(Br)c2C#N)CC1 ZINC000449471813 560231344 /nfs/dbraw/zinc/23/13/44/560231344.db2.gz PFUQMFVMLQLRMZ-UHFFFAOYSA-N 1 0 366.259 2.252 20 30 FEEDRO C=CCOc1ccc(C(=O)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)cc1OC ZINC000449671529 560236394 /nfs/dbraw/zinc/23/63/94/560236394.db2.gz RYNSFEAUMRQQPH-APWZRJJASA-N 1 0 360.454 2.228 20 30 FEEDRO CC(C)[N@H+](C)CCNC(=O)COc1cccc(Br)c1C#N ZINC000449838645 560242024 /nfs/dbraw/zinc/24/20/24/560242024.db2.gz HJDFYAHBBOFWFU-UHFFFAOYSA-N 1 0 354.248 2.156 20 30 FEEDRO C[NH+](C)CCNC(=O)c1cccc(CNc2cccc(C#N)c2[N+](=O)[O-])c1 ZINC000450308442 560257790 /nfs/dbraw/zinc/25/77/90/560257790.db2.gz LVWFLDJJGIUJEE-UHFFFAOYSA-N 1 0 367.409 2.370 20 30 FEEDRO C[C@H]1C[NH+](CCCCNc2ncc(Br)cc2C#N)C[C@H](C)O1 ZINC000450374414 560260393 /nfs/dbraw/zinc/26/03/93/560260393.db2.gz FJYRQJPGXVWHND-STQMWFEESA-N 1 0 367.291 3.017 20 30 FEEDRO CN(C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)c1ncc(C#N)cc1[N+](=O)[O-] ZINC000450449868 560262601 /nfs/dbraw/zinc/26/26/01/560262601.db2.gz DASHDHFXSAMTPG-RDJZCZTQSA-N 1 0 352.398 2.386 20 30 FEEDRO CC(=O)N1CCC[N@H+](C[C@@H]2CCCN(c3ccc(C#N)c(C)n3)C2)CC1 ZINC000450781369 560273112 /nfs/dbraw/zinc/27/31/12/560273112.db2.gz ZQRASBCOTLCZCI-SFHVURJKSA-N 1 0 355.486 2.032 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(F)cc1)S(=O)(=O)CC1(CC#N)CC1 ZINC000451091917 560286523 /nfs/dbraw/zinc/28/65/23/560286523.db2.gz XIORVECAQYMTMO-UHFFFAOYSA-N 1 0 353.463 2.213 20 30 FEEDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)Cc2ccc(F)cc2C#N)C[C@@H]1C ZINC000451236054 560294838 /nfs/dbraw/zinc/29/48/38/560294838.db2.gz MKIDWSUKJZIZAP-SUMWQHHRSA-N 1 0 353.463 2.332 20 30 FEEDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)S(=O)(=O)c1ccc(CC#N)cc1Cl ZINC000451238808 560295201 /nfs/dbraw/zinc/29/52/01/560295201.db2.gz DXPDJKIYTBXUEY-SWLSCSKDSA-N 1 0 355.891 2.367 20 30 FEEDRO N#Cc1cc(F)ccc1CS(=O)(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000451266466 560297168 /nfs/dbraw/zinc/29/71/68/560297168.db2.gz PAXDACUMRMDFCE-GOSISDBHSA-N 1 0 365.474 2.381 20 30 FEEDRO N#CC1(NC(=O)C[NH2+][C@@H](CCO)c2cccc(C(F)(F)F)c2)CCC1 ZINC000451314854 560299700 /nfs/dbraw/zinc/29/97/00/560299700.db2.gz XRTARLKNMCFFDY-AWEZNQCLSA-N 1 0 355.360 2.281 20 30 FEEDRO CC1(C)[C@H](Oc2ccccc2)C[C@@H]1[NH2+]CC(=O)N(CCC#N)CCC#N ZINC000451503167 560310848 /nfs/dbraw/zinc/31/08/48/560310848.db2.gz DKVACZGMLIAJSW-ZWKOTPCHSA-N 1 0 354.454 2.478 20 30 FEEDRO N#Cc1ccc(N2CCC[C@H]([NH2+][C@H]([C@@H](CO)C3CC3)C3CC3)C2=O)cc1 ZINC000451614819 560317488 /nfs/dbraw/zinc/31/74/88/560317488.db2.gz PASRUDXRQUZNED-UFYCRDLUSA-N 1 0 353.466 2.440 20 30 FEEDRO C[C@H](CNC(=O)COc1ccc(C#N)c(Br)c1)C[NH+](C)C ZINC000452009449 560345121 /nfs/dbraw/zinc/34/51/21/560345121.db2.gz UNYNUMLQPKFHTH-LLVKDONJSA-N 1 0 354.248 2.013 20 30 FEEDRO C[C@H](CC#N)N(C)S(=O)(=O)N1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000452008699 560345122 /nfs/dbraw/zinc/34/51/22/560345122.db2.gz BKBBWUQMEQVQBW-OAHLLOKOSA-N 1 0 358.552 2.298 20 30 FEEDRO N#Cc1cccc(OCCCCC(=O)NC[C@H]2CCCC[N@H+]2CCO)c1 ZINC000452386408 560362355 /nfs/dbraw/zinc/36/23/55/560362355.db2.gz FQCPPGBEQHGNAV-GOSISDBHSA-N 1 0 359.470 2.070 20 30 FEEDRO C=CCn1c([C@H]2CCCO2)nnc1N1CC[N@H+](CCOC)[C@H](CCC)C1 ZINC000453414466 560386166 /nfs/dbraw/zinc/38/61/66/560386166.db2.gz NQEFGUHVLCCGKU-IAGOWNOFSA-N 1 0 363.506 2.253 20 30 FEEDRO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)Nc2ccc(CC#N)cc2Cl)C1 ZINC000453656890 560393916 /nfs/dbraw/zinc/39/39/16/560393916.db2.gz MEWKOBXTTBVLKJ-CQSZACIVSA-N 1 0 362.861 2.287 20 30 FEEDRO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)Nc2ccc(CC#N)cc2Cl)C1 ZINC000453656889 560393973 /nfs/dbraw/zinc/39/39/73/560393973.db2.gz MEWKOBXTTBVLKJ-AWEZNQCLSA-N 1 0 362.861 2.287 20 30 FEEDRO N#CCc1cccc(NC(=O)C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000453668321 560395035 /nfs/dbraw/zinc/39/50/35/560395035.db2.gz HUPHGLOXWURDKB-GOSISDBHSA-N 1 0 354.454 2.168 20 30 FEEDRO Cc1cc(C#N)cc(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)c1 ZINC000453670167 560395278 /nfs/dbraw/zinc/39/52/78/560395278.db2.gz KVMMDOXJIHGGIB-INIZCTEOSA-N 1 0 356.470 2.289 20 30 FEEDRO CC[N@@H+]1CCCN(C(=O)C(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)CC1 ZINC000453706874 560398435 /nfs/dbraw/zinc/39/84/35/560398435.db2.gz BMAUSDJSLPVVNE-UHFFFAOYSA-N 1 0 372.469 2.228 20 30 FEEDRO CC(C)(C)c1cc(C#N)c(NC(=O)C(=O)N2CC[NH+]3CCC2CC3)s1 ZINC000453724193 560399604 /nfs/dbraw/zinc/39/96/04/560399604.db2.gz FVDDLNJSBKYPDG-UHFFFAOYSA-N 1 0 360.483 2.162 20 30 FEEDRO Cc1cc(C#N)cc(NC(=O)C(=O)N[C@@H](C[NH+](C)C)c2ccc(F)cc2)c1 ZINC000453750812 560401504 /nfs/dbraw/zinc/40/15/04/560401504.db2.gz LYMLOOMLBYVUJV-SFHVURJKSA-N 1 0 368.412 2.363 20 30 FEEDRO C=CCNC(=O)Nc1ccc(NC(=O)Nc2ccnn2CC[NH+](C)C)cc1 ZINC000455673471 560491423 /nfs/dbraw/zinc/49/14/23/560491423.db2.gz XCRXYSNDXOTRTM-UHFFFAOYSA-N 1 0 371.445 2.396 20 30 FEEDRO N#Cc1ncc(NC(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cc1Cl ZINC000455778894 560494645 /nfs/dbraw/zinc/49/46/45/560494645.db2.gz HDOCRRMGSUBXQQ-HOTGVXAUSA-N 1 0 363.849 2.106 20 30 FEEDRO C=C[C@@H](CO)NC(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1 ZINC000455945758 560501414 /nfs/dbraw/zinc/50/14/14/560501414.db2.gz OTOIMKMTOCIPIV-ZDUSSCGKSA-N 1 0 353.850 2.481 20 30 FEEDRO Cc1cc(C#N)cc(NC(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c1 ZINC000455949287 560501725 /nfs/dbraw/zinc/50/17/25/560501725.db2.gz CSOZTDJXVLFCOF-QFBILLFUSA-N 1 0 355.486 2.356 20 30 FEEDRO Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)NCC[N@@H+]3CCCC3(C)C)C2)n1 ZINC000457052147 560545821 /nfs/dbraw/zinc/54/58/21/560545821.db2.gz INOJRDSHFIVLSR-GOSISDBHSA-N 1 0 369.513 2.469 20 30 FEEDRO CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@H]1CC[C@@H](CC#N)C1 ZINC000459005237 560661336 /nfs/dbraw/zinc/66/13/36/560661336.db2.gz HLSBZUKAVCCPOI-HFSMHLIXSA-N 1 0 370.497 2.347 20 30 FEEDRO CN(CCN1CCN(c2ccccc2)CC1)C(=O)NCC(C)(C)CC#N ZINC000459250691 560676082 /nfs/dbraw/zinc/67/60/82/560676082.db2.gz AFORMBGZKZOSGM-UHFFFAOYSA-N 1 0 357.502 2.390 20 30 FEEDRO COC(=O)[C@@H]1C[N@@H+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C[C@@H]1c1ccccc1 ZINC000459556845 560693950 /nfs/dbraw/zinc/69/39/50/560693950.db2.gz ZTRWFCKVDWWGOY-VZRKHXGSSA-N 1 0 371.481 2.318 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccc(F)cc2N2CCOCC2)CC1 ZINC000459737345 560705433 /nfs/dbraw/zinc/70/54/33/560705433.db2.gz QYWANIJPULZNLW-UHFFFAOYSA-N 1 0 362.449 2.434 20 30 FEEDRO CC[C@@H]1OCC[C@H]1[NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1CCCOC ZINC000459793356 560708706 /nfs/dbraw/zinc/70/87/06/560708706.db2.gz JVZHQHCOVXBERN-SJORKVTESA-N 1 0 362.474 2.109 20 30 FEEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000459976404 560725556 /nfs/dbraw/zinc/72/55/56/560725556.db2.gz QYOMQKPGBOUYCJ-UHFFFAOYSA-N 1 0 370.497 2.097 20 30 FEEDRO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)C(=O)N1CCC(C#N)CC1 ZINC000460081398 560733998 /nfs/dbraw/zinc/73/39/98/560733998.db2.gz XWMAEIAYRFVMND-UHFFFAOYSA-N 1 0 370.497 2.119 20 30 FEEDRO N#C[C@@H]1CCC[C@H]1NC(=O)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000461767813 560782437 /nfs/dbraw/zinc/78/24/37/560782437.db2.gz BRYJNYGHNNMZFQ-FUHWJXTLSA-N 1 0 354.454 2.072 20 30 FEEDRO N#C[C@H]1CCC[C@@H]1NC(=O)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000461778037 560782963 /nfs/dbraw/zinc/78/29/63/560782963.db2.gz WHVMQAWSZUNTIY-AEFFLSMTSA-N 1 0 354.454 2.072 20 30 FEEDRO COc1ccc([C@H](CNC(=O)N[C@H]2CCC[C@@H]2C#N)[NH+](C)C)cc1OC ZINC000461936803 560788769 /nfs/dbraw/zinc/78/87/69/560788769.db2.gz AWFODCSEOBHYBA-PMPSAXMXSA-N 1 0 360.458 2.298 20 30 FEEDRO N#C[C@@H]1CCC[C@H]1NC(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000461954025 560789530 /nfs/dbraw/zinc/78/95/30/560789530.db2.gz FKLNRRPYHVSYAA-PKOBYXMFSA-N 1 0 356.470 2.135 20 30 FEEDRO Cc1cccc(N2CC[NH+](CCCNC(=O)N[C@@H]3CCC[C@H]3C#N)CC2)c1 ZINC000461964635 560790143 /nfs/dbraw/zinc/79/01/43/560790143.db2.gz VTTZFDSYSZCMFM-AZUAARDMSA-N 1 0 369.513 2.499 20 30 FEEDRO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 ZINC000462016461 560792629 /nfs/dbraw/zinc/79/26/29/560792629.db2.gz STXJYWSHHXGXTH-PKOBYXMFSA-N 1 0 357.502 2.135 20 30 FEEDRO CC[N@@H+]1C[C@@H](C)N(C(=O)Nc2cnn(-c3ncccc3C#N)c2)C[C@H]1C ZINC000462078785 560795608 /nfs/dbraw/zinc/79/56/08/560795608.db2.gz AODWOBIRCZMTME-ZIAGYGMSSA-N 1 0 353.430 2.085 20 30 FEEDRO C=CCOc1cc(OC)ccc1C(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000463750469 560822914 /nfs/dbraw/zinc/82/29/14/560822914.db2.gz PVEABXYFWFMTFM-UHFFFAOYSA-N 1 0 362.470 2.443 20 30 FEEDRO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000466917237 560899139 /nfs/dbraw/zinc/89/91/39/560899139.db2.gz APZXKZLHPIASCY-PXNSSMCTSA-N 1 0 364.534 2.006 20 30 FEEDRO C[NH+](C)[C@@]1(CNC(=O)c2cc(-c3cccc(C#N)c3)no2)CCSC1 ZINC000469323309 560952516 /nfs/dbraw/zinc/95/25/16/560952516.db2.gz ZSFNGFYDJXWCGQ-GOSISDBHSA-N 1 0 356.451 2.380 20 30 FEEDRO C=C[C@@](C)(O)CC(=O)N[C@@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1 ZINC000469628178 560960134 /nfs/dbraw/zinc/96/01/34/560960134.db2.gz VKQPCWQYCUQUGX-MGPUTAFESA-N 1 0 363.477 2.472 20 30 FEEDRO C[N@H+](CCOc1ccccc1C#N)C[C@@H]1C[C@H](F)CN1Cc1ncccn1 ZINC000470806369 560990145 /nfs/dbraw/zinc/99/01/45/560990145.db2.gz MWTYNOBEQQKYAH-ROUUACIJSA-N 1 0 369.444 2.271 20 30 FEEDRO CC(C)OCC[C@@H](O)C[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000471548293 561006909 /nfs/dbraw/zinc/00/69/09/561006909.db2.gz PYSJIVBTXDVEPU-LJQANCHMSA-N 1 0 359.470 2.385 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCO[C@]2(CCO[C@H]2C)C1)C(C)C ZINC000471600851 561008309 /nfs/dbraw/zinc/00/83/09/561008309.db2.gz DZCUCYREDTYJQN-NLWGTHIKSA-N 1 0 365.518 2.274 20 30 FEEDRO Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)C2)n1 ZINC000471814754 561012296 /nfs/dbraw/zinc/01/22/96/561012296.db2.gz FIXRBWRCYGABCB-OTWHNJEPSA-N 1 0 367.497 2.221 20 30 FEEDRO C=CC[N@@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000472244776 561021751 /nfs/dbraw/zinc/02/17/51/561021751.db2.gz XXMAKWHPBGEKJI-AWEZNQCLSA-N 1 0 368.401 2.016 20 30 FEEDRO CC[NH+](CC)CCO[C@@H]1CCN([C@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000472265764 561022382 /nfs/dbraw/zinc/02/23/82/561022382.db2.gz YYRCVCVDAZOFSA-VQIMIIECSA-N 1 0 358.486 2.318 20 30 FEEDRO C[NH+]1CCC(C(=O)N2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)CC1 ZINC000473566140 561052712 /nfs/dbraw/zinc/05/27/12/561052712.db2.gz HBHBAPJBJQWTBU-SFHVURJKSA-N 1 0 360.889 2.391 20 30 FEEDRO COC(=O)C1CC[NH+](CCCNC(=O)C[C@H](CC#N)c2ccccc2)CC1 ZINC000474905938 561085185 /nfs/dbraw/zinc/08/51/85/561085185.db2.gz MEYAWTYKXKGQRP-IBGZPJMESA-N 1 0 371.481 2.465 20 30 FEEDRO CC(C)[C@H](CNC(=O)C[C@H](CC#N)c1ccccc1)[NH+]1CCN(C)CC1 ZINC000475940574 561108225 /nfs/dbraw/zinc/10/82/25/561108225.db2.gz TWNOKQALLFWYIL-PMACEKPBSA-N 1 0 356.514 2.462 20 30 FEEDRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)c1cnn(C)c1C#N ZINC000476314976 561116265 /nfs/dbraw/zinc/11/62/65/561116265.db2.gz ONYDIVIUFHEXIF-GJZGRUSLSA-N 1 0 351.454 2.178 20 30 FEEDRO C[C@H](C[NH+]1CCCCCC1)NS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000476580750 561123299 /nfs/dbraw/zinc/12/32/99/561123299.db2.gz MPFFDCJHMSVFBA-CYBMUJFWSA-N 1 0 366.443 2.009 20 30 FEEDRO Cc1cccc(C[NH+]2CCN(C[C@@H](O)COc3ccccc3C#N)CC2)c1 ZINC000528341082 562323682 /nfs/dbraw/zinc/32/36/82/562323682.db2.gz UVCNGVOTZMVNFQ-OAQYLSRUSA-N 1 0 365.477 2.424 20 30 FEEDRO CC(C)[C@@H](C)NC(=O)C1CC[NH+](C[C@@H](O)COc2ccccc2C#N)CC1 ZINC000528368851 562325228 /nfs/dbraw/zinc/32/52/28/562325228.db2.gz WODFLQCGJJVQFU-VQIMIIECSA-N 1 0 373.497 2.171 20 30 FEEDRO N#CC1(C[C@H](O)C[NH+]2CCC(n3cc(Br)cn3)CC2)CC1 ZINC000528380408 562325969 /nfs/dbraw/zinc/32/59/69/562325969.db2.gz PKRLNDFPJDPSGP-AWEZNQCLSA-N 1 0 353.264 2.337 20 30 FEEDRO N#Cc1cc(S(=O)(=O)NC[C@@H]2CC[N@@H+]2C2CCCCC2)ccc1F ZINC000528476814 562331324 /nfs/dbraw/zinc/33/13/24/562331324.db2.gz NCFSFJUVLZGPAC-HNNXBMFYSA-N 1 0 351.447 2.383 20 30 FEEDRO O=C1c2ccccc2C(=O)N1CC#CCN1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000528504140 562332772 /nfs/dbraw/zinc/33/27/72/562332772.db2.gz BPYHFAONGNIAMU-OALUTQOASA-N 1 0 364.445 2.320 20 30 FEEDRO CC(C)[C@H]1C[N@H+](Cc2ccccc2)CCN1CC(=O)NC1(C#N)CCC1 ZINC000528612791 562338397 /nfs/dbraw/zinc/33/83/97/562338397.db2.gz WWMVQOHACNBEHX-LJQANCHMSA-N 1 0 354.498 2.391 20 30 FEEDRO COc1cc(C#N)ccc1OCC[N@@H+]1CC2(CCOCC2)CC[C@@H]1CO ZINC000528636632 562339370 /nfs/dbraw/zinc/33/93/70/562339370.db2.gz DFLLNENYTCASIX-QGZVFWFLSA-N 1 0 360.454 2.199 20 30 FEEDRO N#Cc1ccc(CC(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000528980373 562355260 /nfs/dbraw/zinc/35/52/60/562355260.db2.gz XNAXQWSTFHLDJR-UHFFFAOYSA-N 1 0 359.433 2.170 20 30 FEEDRO CC[C@@H]1CN(C(=O)Nc2ccc(COC)c(C#N)c2)CC[N@@H+]1CCOC ZINC000529212604 562364969 /nfs/dbraw/zinc/36/49/69/562364969.db2.gz KUDMYRQPVAJANK-GOSISDBHSA-N 1 0 360.458 2.279 20 30 FEEDRO CC[C@@H]1CN(C(=O)Nc2ccc(COC)c(C#N)c2)CC[N@@H+]1C[C@H](C)O ZINC000529213589 562365123 /nfs/dbraw/zinc/36/51/23/562365123.db2.gz SJOMHLXDTLHQOT-KBXCAEBGSA-N 1 0 360.458 2.014 20 30 FEEDRO N#Cc1ccccc1-c1ccc(CNC(=O)NC[C@@H]2COCC[NH2+]2)cc1 ZINC000529320450 562369159 /nfs/dbraw/zinc/36/91/59/562369159.db2.gz FPZWEQJHYXHTHG-GOSISDBHSA-N 1 0 350.422 2.013 20 30 FEEDRO CC(C)[C@H]1C[NH2+]CCN1C(=O)NC1CCC(Oc2ncccc2C#N)CC1 ZINC000529324655 562369591 /nfs/dbraw/zinc/36/95/91/562369591.db2.gz RJPRSDXTCZNMHZ-DAWZGUTISA-N 1 0 371.485 2.283 20 30 FEEDRO COCc1ccc(NC(=O)c2cccc(N3CC[NH+](C)CC3)n2)cc1C#N ZINC000529818393 562386611 /nfs/dbraw/zinc/38/66/11/562386611.db2.gz ZTEZURVQYMEHIS-UHFFFAOYSA-N 1 0 365.437 2.104 20 30 FEEDRO COc1cccc(N2CC[C@H]([NH2+]C[C@H](O)COc3ccccc3C#N)C2)c1 ZINC000530231298 562403027 /nfs/dbraw/zinc/40/30/27/562403027.db2.gz OBAJDAQTMHMCJT-HKUYNNGSSA-N 1 0 367.449 2.175 20 30 FEEDRO N#Cc1ccccc1OC[C@H](O)C[NH2+][C@H]1CCN(c2ccccc2F)C1 ZINC000530233350 562403284 /nfs/dbraw/zinc/40/32/84/562403284.db2.gz IBOGZTQSZULVHJ-DLBZAZTESA-N 1 0 355.413 2.306 20 30 FEEDRO N#Cc1ccccc1OC[C@@H](O)C[NH2+][C@H]1CC[C@@H](C(=O)N2CCCCC2)C1 ZINC000530232740 562403286 /nfs/dbraw/zinc/40/32/86/562403286.db2.gz AWYMXNWYAICZKW-NEWSRXKRSA-N 1 0 371.481 2.069 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cccc3c2OC(C)(C)C3)CC1 ZINC000530557577 562415771 /nfs/dbraw/zinc/41/57/71/562415771.db2.gz PTXLDJCGFQKOLX-UHFFFAOYSA-N 1 0 371.481 2.495 20 30 FEEDRO C[NH+]1CCN(C[C@@H](NC(=O)c2cc(C#N)cs2)c2ccccc2)CC1 ZINC000530731986 562422182 /nfs/dbraw/zinc/42/21/82/562422182.db2.gz MORWWQMGASSURT-QGZVFWFLSA-N 1 0 354.479 2.338 20 30 FEEDRO CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)C3(c4cccc(C#N)c4)CC3)C2)CC1 ZINC000533256639 562503055 /nfs/dbraw/zinc/50/30/55/562503055.db2.gz HKXAVJYHLQOQTB-HXUWFJFHSA-N 1 0 366.509 2.217 20 30 FEEDRO CC[C@H](C)[C@H]1CCCC[N@@H+]1CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 ZINC000533289956 562504129 /nfs/dbraw/zinc/50/41/29/562504129.db2.gz HSWNPGCJBYHECG-MAUKXSAKSA-N 1 0 373.501 2.404 20 30 FEEDRO Cc1sc(NC(=O)C[N@H+](CC(C)(C)O)C2CCOCC2)c(C#N)c1C ZINC000533482362 562510346 /nfs/dbraw/zinc/51/03/46/562510346.db2.gz XSUCFZDKEMPZNR-UHFFFAOYSA-N 1 0 365.499 2.427 20 30 FEEDRO CC[NH+](CC)CCO[C@H]1CCN(Cc2cccc(C(=O)OC)c2C#N)C1 ZINC000535205659 562553142 /nfs/dbraw/zinc/55/31/42/562553142.db2.gz JOBILXDNAZKHHL-KRWDZBQOSA-N 1 0 359.470 2.278 20 30 FEEDRO N#Cc1ccc(CNC(=O)C[N@H+](C[C@@H]2CCCO2)[C@@H]2CCSC2)cc1 ZINC000535552102 562561037 /nfs/dbraw/zinc/56/10/37/562561037.db2.gz RNQCNQKDKMIHJO-MSOLQXFVSA-N 1 0 359.495 2.161 20 30 FEEDRO CS(=O)(=O)N1CC[C@@H](C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)C1 ZINC000537327540 562589690 /nfs/dbraw/zinc/58/96/90/562589690.db2.gz LROSWFCXXIQNKY-IVMQYODDSA-N 1 0 361.511 2.262 20 30 FEEDRO C=CCN1C(=O)c2ccc(C(=O)N(C)[C@@H](C)C3CC[NH+](C)CC3)cc2C1=O ZINC000540891153 562595895 /nfs/dbraw/zinc/59/58/95/562595895.db2.gz RUUCNURJIUQRFS-AWEZNQCLSA-N 1 0 369.465 2.271 20 30 FEEDRO C[C@@H]([NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1)[C@@H]1CCCOC1 ZINC000541648300 562617142 /nfs/dbraw/zinc/61/71/42/562617142.db2.gz KAKKNJDJJZKBNC-HUUCEWRRSA-N 1 0 353.426 2.087 20 30 FEEDRO CN(C)c1cc(Br)cc(C(=O)NC2(C#N)CC[NH+](C)CC2)c1 ZINC000555936741 674381800 /nfs/dbraw/zinc/38/18/00/674381800.db2.gz KCPRBXTZDSCXNP-UHFFFAOYSA-N 1 0 365.275 2.233 20 30 FEEDRO C[NH+](C)CCn1c2cc(C(=O)N3CCC[C@@](C)(C#N)C3)ccc2[nH]c1=O ZINC000602135980 567934241 /nfs/dbraw/zinc/93/42/41/567934241.db2.gz OAEGELLXCCHKEC-IBGZPJMESA-N 1 0 355.442 2.069 20 30 FEEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+][C@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000602548085 567990391 /nfs/dbraw/zinc/99/03/91/567990391.db2.gz LSRIVSTWRMQJFJ-HOTGVXAUSA-N 1 0 356.470 2.053 20 30 FEEDRO N#CCc1cccc2c1CCN(C(=O)c1cc(C3CC[NH2+]CC3)no1)C2 ZINC000602574083 567996387 /nfs/dbraw/zinc/99/63/87/567996387.db2.gz QXERGYOIDNMSSX-UHFFFAOYSA-N 1 0 350.422 2.406 20 30 FEEDRO Cc1ccc(NC(=O)N2C[C@H](C)N(CC#N)[C@@H](C)C2)c(OCC[NH+](C)C)c1 ZINC000602865290 568008126 /nfs/dbraw/zinc/00/81/26/568008126.db2.gz RSRQLRRJNHZDGB-IRXDYDNUSA-N 1 0 373.501 2.386 20 30 FEEDRO CCn1nc(C)c(C[N@H+](C)C[C@H](O)COc2ccc(CC#N)cc2)c1C ZINC000602926467 568018561 /nfs/dbraw/zinc/01/85/61/568018561.db2.gz RKZNVIHIBWLJCX-SFHVURJKSA-N 1 0 356.470 2.458 20 30 FEEDRO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)n1cc(C2CC[NH2+]CC2)nn1 ZINC000603195031 568072482 /nfs/dbraw/zinc/07/24/82/568072482.db2.gz YDCVDRFRAOOIJJ-XAUUPUKJSA-N 1 0 358.490 2.237 20 30 FEEDRO Cc1cccc(N(CCC#N)C(=O)Cn2cc(C[NH2+]C3CC3)nn2)c1C ZINC000603207409 568073715 /nfs/dbraw/zinc/07/37/15/568073715.db2.gz RKOVUKQBYCHFBX-UHFFFAOYSA-N 1 0 352.442 2.094 20 30 FEEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)Cn1cc(CC[NH+](C)C)nn1 ZINC000603214094 568076576 /nfs/dbraw/zinc/07/65/76/568076576.db2.gz BCGSDCXYBBXUAF-CQSZACIVSA-N 1 0 372.498 2.415 20 30 FEEDRO C[N@H+](Cc1cn(C[C@@H](O)CC2(C#N)CCOCC2)nn1)C1CCCCC1 ZINC000603265748 568083491 /nfs/dbraw/zinc/08/34/91/568083491.db2.gz BUMDIWSILNLWTK-SFHVURJKSA-N 1 0 361.490 2.114 20 30 FEEDRO C[NH+]1CCC(C#N)(NC(=O)c2cccc(NC(=O)c3ccco3)c2)CC1 ZINC000603886900 568177062 /nfs/dbraw/zinc/17/70/62/568177062.db2.gz JJOVZAZXEVGOGC-UHFFFAOYSA-N 1 0 352.394 2.250 20 30 FEEDRO C[C@](CO)(C[NH2+]C[C@H](O)COc1ccc(C#N)cc1)Cc1ccccc1 ZINC000568983324 568260931 /nfs/dbraw/zinc/26/09/31/568260931.db2.gz HOBWBZSQSXDKNJ-PZJWPPBQSA-N 1 0 354.450 2.129 20 30 FEEDRO Cc1cc(NC(=O)C(=O)NC[C@@H](C(C)C)[NH+]2CCC(C)CC2)ncc1C#N ZINC000569017145 568271531 /nfs/dbraw/zinc/27/15/31/568271531.db2.gz KXAGTHTVUWTZIV-KRWDZBQOSA-N 1 0 371.485 2.073 20 30 FEEDRO N#CCc1ccc(CS(=O)(=O)NC[C@H]2[NH2+]CCc3ccccc32)cc1 ZINC000563138195 568273077 /nfs/dbraw/zinc/27/30/77/568273077.db2.gz WSQLRGOMHDXRGQ-LJQANCHMSA-N 1 0 355.463 2.059 20 30 FEEDRO CC(=O)c1cccc(OC[C@@H](O)C[NH2+]CCOc2ccc(C#N)cc2)c1 ZINC000569111624 568277886 /nfs/dbraw/zinc/27/78/86/568277886.db2.gz UPUZJMXDEDMHDD-SFHVURJKSA-N 1 0 354.406 2.169 20 30 FEEDRO N#CCSCC(=O)Nc1ccc2c(ccn2CCN2CCOCC2)c1 ZINC000604530403 568310938 /nfs/dbraw/zinc/31/09/38/568310938.db2.gz KXYBTWFCKJSVCA-UHFFFAOYSA-N 1 0 358.467 2.169 20 30 FEEDRO C[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2cccc(C#Cc3cccs3)c2)C1 ZINC000606108252 568659827 /nfs/dbraw/zinc/65/98/27/568659827.db2.gz RISORHHYOJMZIB-INIZCTEOSA-N 1 0 367.474 2.154 20 30 FEEDRO C[C@@H](c1ccc(C#N)cc1)[NH+]1CCN(c2ncccc2-c2nn[nH]n2)CC1 ZINC000736197627 599307091 /nfs/dbraw/zinc/30/70/91/599307091.db2.gz BMZFICAKFSSRHM-AWEZNQCLSA-N 1 0 360.425 2.017 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H](C)c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000819723036 599435075 /nfs/dbraw/zinc/43/50/75/599435075.db2.gz VHNCNTHMCXMCFN-CQSZACIVSA-N 1 0 369.473 2.267 20 30 FEEDRO CCN(CCC#N)S(=O)(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000558782525 674515842 /nfs/dbraw/zinc/51/58/42/674515842.db2.gz NOXZAUYWKJIBOC-HNNXBMFYSA-N 1 0 358.895 2.013 20 30 FEEDRO CC(C)(C#N)CCC[NH+]1CCN(c2cccc(F)c2-c2nn[nH]n2)CC1 ZINC000819891933 606110898 /nfs/dbraw/zinc/11/08/98/606110898.db2.gz MGSQUEIFCRIPCC-UHFFFAOYSA-N 1 0 357.437 2.458 20 30 FEEDRO C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)NCC[N@@H+](CC)CCC ZINC000819745620 606117301 /nfs/dbraw/zinc/11/73/01/606117301.db2.gz MMWBSECPPMAMAF-UHFFFAOYSA-N 1 0 371.489 2.296 20 30 FEEDRO CC[N@@H+]1CCCN(C(=O)C(=O)Nc2scc(C(C)(C)C)c2C#N)CC1 ZINC000559768956 674555257 /nfs/dbraw/zinc/55/52/57/674555257.db2.gz LWIMQEGWKOPGOG-UHFFFAOYSA-N 1 0 362.499 2.410 20 30 FEEDRO Cc1oc(NC(=O)C[NH2+][C@H](C)c2ccc(C#N)cc2)c(-c2nn[nH]n2)c1C ZINC000826341478 608464522 /nfs/dbraw/zinc/46/45/22/608464522.db2.gz ITPJPEDIZGOARP-LLVKDONJSA-N 1 0 365.397 2.238 20 30 FEEDRO COc1cc(-c2nn[nH]n2)ccc1OCC[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000826176448 608469268 /nfs/dbraw/zinc/46/92/68/608469268.db2.gz QBCCIMOABVTQRM-CYBMUJFWSA-N 1 0 364.409 2.477 20 30 FEEDRO C[C@H]([NH2+]CCC(=O)Nc1ccc(-c2nn[nH]n2)cc1)c1cccc(C#N)c1 ZINC000824584669 608487461 /nfs/dbraw/zinc/48/74/61/608487461.db2.gz DJYGWYNUIAGZDV-ZDUSSCGKSA-N 1 0 361.409 2.418 20 30 FEEDRO Fc1cc(N=NC2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)ccn1 ZINC000826372953 609281317 /nfs/dbraw/zinc/28/13/17/609281317.db2.gz SYZOMDZNONEDIA-UHFFFAOYSA-N 1 0 366.404 2.465 20 30 FEEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000561004139 674629660 /nfs/dbraw/zinc/62/96/60/674629660.db2.gz ZQKAHOCCEHZIJN-UONOGXRCSA-N 1 0 360.483 2.074 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000813458981 674747854 /nfs/dbraw/zinc/74/78/54/674747854.db2.gz LFRARETWCYXIFY-UHFFFAOYSA-N 1 0 351.353 2.019 20 30 FEEDRO N#C[C@@H](c1cccc(Cl)c1)N1CC[NH+](C[C@@H]2CCNC(=O)CC2)CC1 ZINC000562542258 674767415 /nfs/dbraw/zinc/76/74/15/674767415.db2.gz HFGOHNMIQKWDBN-YJBOKZPZSA-N 1 0 360.889 2.439 20 30 FEEDRO C[C@@H]1CCC[C@@H](NC(=S)NN=C2CC[NH+](CC(C)(C)O)CC2)[C@H]1C ZINC000814215215 674826851 /nfs/dbraw/zinc/82/68/51/674826851.db2.gz MQFXFZREXJDLBI-IJEWVQPXSA-N 1 0 354.564 2.498 20 30 FEEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+]CC2(c3ccccn3)CCC2)c1 ZINC000563009437 674834689 /nfs/dbraw/zinc/83/46/89/674834689.db2.gz ADYXFTWITIOFNQ-UHFFFAOYSA-N 1 0 355.463 2.438 20 30 FEEDRO CN(CCC#N)C[C@H](O)C[NH2+]CCc1nc2cc(Cl)ccc2s1 ZINC000563343268 674874697 /nfs/dbraw/zinc/87/46/97/674874697.db2.gz KYSALIDENGKTRD-CYBMUJFWSA-N 1 0 352.891 2.288 20 30 FEEDRO C#CCNC(=O)CC[NH+]1CCC([C@@H]2C(=O)Nc3cc(Cl)ccc32)CC1 ZINC000815036000 674904490 /nfs/dbraw/zinc/90/44/90/674904490.db2.gz IVUFLSWTZTUCQQ-SFHVURJKSA-N 1 0 359.857 2.227 20 30 FEEDRO C#CC[N@H+](C)CCCNS(=O)(=O)/C=C\c1ccccc1Br ZINC000815082961 674914023 /nfs/dbraw/zinc/91/40/23/674914023.db2.gz JPMMDRAGEZYECW-LCYFTJDESA-N 1 0 371.300 2.294 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H](C)COC ZINC001048526064 675008864 /nfs/dbraw/zinc/00/88/64/675008864.db2.gz NMDPQJYFUGGGJA-RRQVMCLOSA-N 1 0 350.503 2.362 20 30 FEEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CS(=O)(=O)c3ccccc3O1)CC2 ZINC000570395675 670707637 /nfs/dbraw/zinc/70/76/37/670707637.db2.gz NRCDLOSQAOLZPD-RDJZCZTQSA-N 1 0 354.431 2.370 20 30 FEEDRO C=CCc1cc(OCC)cc(C[N@H+]2CC[C@@H](S(=O)(=O)NCC)C2)c1O ZINC000092304334 670738217 /nfs/dbraw/zinc/73/82/17/670738217.db2.gz SRZMZOQYRUZPHL-QGZVFWFLSA-N 1 0 368.499 2.033 20 30 FEEDRO N#CCC[C@H](C#N)C[NH2+]CC1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000570709727 670756863 /nfs/dbraw/zinc/75/68/63/670756863.db2.gz OWKXUFKNXRTDOB-QGZVFWFLSA-N 1 0 360.483 2.120 20 30 FEEDRO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000106867884 670815118 /nfs/dbraw/zinc/81/51/18/670815118.db2.gz SWIFFXQZWQORQG-SUNYJGFJSA-N 1 0 352.479 2.028 20 30 FEEDRO C[C@@H](ON=C(N)C[NH+]1CCCCCC1)C(=O)Nc1ccc(F)c(F)c1 ZINC000113250049 670882739 /nfs/dbraw/zinc/88/27/39/670882739.db2.gz WTOCJSBAQNUKFL-GFCCVEGCSA-N 1 0 354.401 2.457 20 30 FEEDRO C[NH+]=C(NCc1ccnc(C)n1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000114061672 670889288 /nfs/dbraw/zinc/88/92/88/670889288.db2.gz LXYNCCFRINSTQG-UHFFFAOYSA-N 1 0 358.877 2.336 20 30 FEEDRO Cc1ncsc1CN(C[C@H]1CC[NH2+]C1)C(=O)c1ccc(C#N)c(C)n1 ZINC000572731438 671037940 /nfs/dbraw/zinc/03/79/40/671037940.db2.gz YNLNGYXLQSCBAT-AWEZNQCLSA-N 1 0 355.467 2.279 20 30 FEEDRO C[C@H](CN1C[C@H](C)C[C@@H](C)C1)[NH2+]CCS(=O)(=O)c1cccc(C#N)c1 ZINC000566110042 675181716 /nfs/dbraw/zinc/18/17/16/675181716.db2.gz WVLPKKOEKUJRGU-BRWVUGGUSA-N 1 0 363.527 2.288 20 30 FEEDRO C[C@H](C[NH2+]C[C@@H](O)CN(C)CCC#N)Oc1ccccc1Br ZINC000566111718 675182048 /nfs/dbraw/zinc/18/20/48/675182048.db2.gz FNFAAKJILOHBQU-ZIAGYGMSSA-N 1 0 370.291 2.012 20 30 FEEDRO C[N@@H+]1CCC[C@H](CNS(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)C1 ZINC000575774366 671319912 /nfs/dbraw/zinc/31/99/12/671319912.db2.gz BGTQSSZQXUSWAK-LLVKDONJSA-N 1 0 361.389 2.197 20 30 FEEDRO N#CC1(NC(=O)CN2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)CCC1 ZINC000576086979 671342956 /nfs/dbraw/zinc/34/29/56/671342956.db2.gz PBYDIHIQWRGBML-CYBMUJFWSA-N 1 0 359.392 2.230 20 30 FEEDRO CC(C)(C)c1csc(NC(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)c1C#N ZINC000576371819 671364012 /nfs/dbraw/zinc/36/40/12/671364012.db2.gz WNZYBLFAISGWAM-TXEJJXNPSA-N 1 0 360.483 2.209 20 30 FEEDRO CN(CCC#N)C(=O)CC[NH+]1CCN(c2nccc3sccc32)CC1 ZINC000580253397 671792853 /nfs/dbraw/zinc/79/28/53/671792853.db2.gz VOGUXEAMIIOCRJ-UHFFFAOYSA-N 1 0 357.483 2.180 20 30 FEEDRO CC(=O)NCC[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000580712593 671826784 /nfs/dbraw/zinc/82/67/84/671826784.db2.gz NFJFOWVYGCTADD-GFCCVEGCSA-N 1 0 362.499 2.141 20 30 FEEDRO C[C@@H](CC#N)N(C)S(=O)(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000581738087 671932464 /nfs/dbraw/zinc/93/24/64/671932464.db2.gz AQQODMQXOIYPAH-SWLSCSKDSA-N 1 0 358.895 2.011 20 30 FEEDRO Cc1ccc(S(=O)(=O)C[C@H](C)NC(=[NH2+])NCCc2ccccc2)cc1 ZINC000123176390 671976256 /nfs/dbraw/zinc/97/62/56/671976256.db2.gz PNWBSBZYTMNBAJ-INIZCTEOSA-N 1 0 359.495 2.304 20 30 FEEDRO N#CCc1ccc(OC[C@H](O)C[NH2+][C@H]2CCO[C@]3(CCSC3)C2)cc1 ZINC000582482050 672005520 /nfs/dbraw/zinc/00/55/20/672005520.db2.gz RQVSMTOTCLOKKX-YQVWRLOYSA-N 1 0 362.495 2.137 20 30 FEEDRO CC(C)(C)[C@@H]1OCCC[C@@H]1C[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000582960069 672050075 /nfs/dbraw/zinc/05/00/75/672050075.db2.gz YJTVIKSRDYLMKQ-NVXWUHKLSA-N 1 0 365.499 2.158 20 30 FEEDRO C[C@H]1CC[N@H+](CCNC(=O)C(=O)Nc2sc(C(C)(C)C)cc2C#N)C1 ZINC000583126177 672065704 /nfs/dbraw/zinc/06/57/04/672065704.db2.gz RBNHXQHRONNIJX-LBPRGKRZSA-N 1 0 362.499 2.314 20 30 FEEDRO C[C@@H]([NH3+])[C@H]1CCCCN1S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000583142744 672067488 /nfs/dbraw/zinc/06/74/88/672067488.db2.gz JHSNPRBPZLXGCO-QMTHXVAHSA-N 1 0 372.288 2.211 20 30 FEEDRO CC[NH+]=C(NCC1CCN(C(C)=O)CC1)N[C@@H]1CCC[C@@H](SC)C1 ZINC000130646687 672078101 /nfs/dbraw/zinc/07/81/01/672078101.db2.gz QYNOWFGOSDICTC-IAGOWNOFSA-N 1 0 354.564 2.474 20 30 FEEDRO CC[C@@H](C)c1ccc(NC(=[NH2+])NC[C@H]2CCN(S(C)(=O)=O)C2)cc1 ZINC000133861562 672116201 /nfs/dbraw/zinc/11/62/01/672116201.db2.gz MFMVKLDDMBNXJZ-ZIAGYGMSSA-N 1 0 352.504 2.208 20 30 FEEDRO CCCN(CC[NH+]1CCCCCC1)S(=O)(=O)N(CC)C[C@@H](C)C#N ZINC000584254490 672170047 /nfs/dbraw/zinc/17/00/47/672170047.db2.gz RUSOOTDNENCFDE-KRWDZBQOSA-N 1 0 358.552 2.301 20 30 FEEDRO C#Cc1cccc(NC(=O)CN(C)C(=O)CSCC[NH+](CC)CC)c1 ZINC000174695749 672362396 /nfs/dbraw/zinc/36/23/96/672362396.db2.gz FWYDYTSNMBZINR-UHFFFAOYSA-N 1 0 361.511 2.140 20 30 FEEDRO C=CCNC(=O)NC(=O)C[N@H+]1CCCCC[C@@H]1C[C@H](O)c1cccs1 ZINC000175855307 672371142 /nfs/dbraw/zinc/37/11/42/672371142.db2.gz XFYXUJDRFWGCRT-CABCVRRESA-N 1 0 365.499 2.428 20 30 FEEDRO CCc1cnc(CCNC(=[NH2+])NCCc2ccc(OC)c(OC)c2)s1 ZINC000178587624 672392917 /nfs/dbraw/zinc/39/29/17/672392917.db2.gz RDEJIHOVKCKPBW-UHFFFAOYSA-N 1 0 362.499 2.412 20 30 FEEDRO COCC#CC[NH2+][C@@](C)(CC(=O)OC)c1ccc(Br)cc1 ZINC000586782544 672434618 /nfs/dbraw/zinc/43/46/18/672434618.db2.gz WGAZKYFVJXZPLX-INIZCTEOSA-N 1 0 354.244 2.467 20 30 FEEDRO [NH2+]=C(NCc1cccc(N2CCCS2(=O)=O)c1)NC1CCCCCC1 ZINC000184875822 672509674 /nfs/dbraw/zinc/50/96/74/672509674.db2.gz RLAAQKQRWQRJDI-UHFFFAOYSA-N 1 0 364.515 2.354 20 30 FEEDRO C[N@@H+]1CCC[C@H]1[C@@H]1COCCN1C(=O)CSCc1ccc(C#N)cc1 ZINC000590402446 672579416 /nfs/dbraw/zinc/57/94/16/672579416.db2.gz UGDDQPCEAASZBH-ROUUACIJSA-N 1 0 359.495 2.113 20 30 FEEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]C1CCN(S(=O)(=O)C2CC2)CC1 ZINC000611394531 676035347 /nfs/dbraw/zinc/03/53/47/676035347.db2.gz PDGZSVURTTYCSF-IBGZPJMESA-N 1 0 359.495 2.482 20 30 FEEDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000590589080 672593167 /nfs/dbraw/zinc/59/31/67/672593167.db2.gz LKTYMTTTYKZEKO-YGRLFVJLSA-N 1 0 361.389 2.290 20 30 FEEDRO N#CCN1CCC(NC(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)CC1 ZINC000591311156 672668466 /nfs/dbraw/zinc/66/84/66/672668466.db2.gz MHZAKMWTAZOCJA-UHFFFAOYSA-N 1 0 355.364 2.274 20 30 FEEDRO C=C(C)COc1cc(C[NH2+]CCCN2CCCS2(=O)=O)ccc1OC ZINC000591716765 672704400 /nfs/dbraw/zinc/70/44/00/672704400.db2.gz NOHODNCHKHXPSR-UHFFFAOYSA-N 1 0 368.499 2.165 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000194148169 672749289 /nfs/dbraw/zinc/74/92/89/672749289.db2.gz GRQQHSMSYJSYNM-CQSZACIVSA-N 1 0 354.495 2.239 20 30 FEEDRO N#CCCC[C@H]([NH3+])C(=O)N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1 ZINC000592145162 672763656 /nfs/dbraw/zinc/76/36/56/672763656.db2.gz PSCGYAROWDPKMH-HIFRSBDPSA-N 1 0 354.376 2.421 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCN(Cc3cscn3)CC2)CC1 ZINC000592302504 672783252 /nfs/dbraw/zinc/78/32/52/672783252.db2.gz ULOXYJSSTCOUGS-UHFFFAOYSA-N 1 0 363.531 2.011 20 30 FEEDRO C=CC[C@@H](CO)[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000682730738 672787971 /nfs/dbraw/zinc/78/79/71/672787971.db2.gz MSGBRDKJFPBNCY-HNNXBMFYSA-N 1 0 355.276 2.312 20 30 FEEDRO C=C(Br)CNC(N[C@@H]1CCC[C@H]([S@@](=O)CC)C1)=[NH+]C ZINC000245693104 672823167 /nfs/dbraw/zinc/82/31/67/672823167.db2.gz JYUXTKPQOVYPDO-UFYHVXEKSA-N 1 0 350.326 2.140 20 30 FEEDRO CC[S@](=O)[C@@H]1CCC[C@@H](NC(NCc2cccc3c2OCO3)=[NH+]C)C1 ZINC000245704986 672823491 /nfs/dbraw/zinc/82/34/91/672823491.db2.gz MAFPQGBQZGVWAD-XGZNKIABSA-N 1 0 365.499 2.160 20 30 FEEDRO CO[C@@H](CC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)C(F)(F)F ZINC000593031237 672865601 /nfs/dbraw/zinc/86/56/01/672865601.db2.gz YPEWOJUKUDEXKJ-HNNXBMFYSA-N 1 0 357.376 2.416 20 30 FEEDRO C[NH+]=C(NC[C@H]1CCCCO1)N(C)Cc1cc(Br)cn1C ZINC000261694266 672901781 /nfs/dbraw/zinc/90/17/81/672901781.db2.gz FKYWYYYKZNOIMK-CQSZACIVSA-N 1 0 357.296 2.364 20 30 FEEDRO CC[NH+]=C(NCCc1ccc(CC)cc1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261932497 672905653 /nfs/dbraw/zinc/90/56/53/672905653.db2.gz BSSMJCYPOLLZDN-UHFFFAOYSA-N 1 0 365.543 2.266 20 30 FEEDRO C=C(C)CNC(=[NH2+])NCc1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1 ZINC000261995520 672906936 /nfs/dbraw/zinc/90/69/36/672906936.db2.gz NLTRKPJGCMAKEJ-HNNXBMFYSA-N 1 0 364.515 2.088 20 30 FEEDRO [NH2+]=C(NCc1cc(Br)c2c(c1)OCCO2)N1CCSCC1 ZINC000261993022 672907081 /nfs/dbraw/zinc/90/70/81/672907081.db2.gz MWDAZQFYQPFQOV-UHFFFAOYSA-N 1 0 372.288 2.084 20 30 FEEDRO CC[NH+]=C(NCCc1ccccc1Cl)N1CCS(=O)(=O)C(C)(C)C1 ZINC000262012180 672907234 /nfs/dbraw/zinc/90/72/34/672907234.db2.gz WUJIZZAIVKWEGS-UHFFFAOYSA-N 1 0 371.934 2.357 20 30 FEEDRO C[NH+]=C(NCC(=O)Nc1cc(Br)ccc1C)N1CCCC1 ZINC000262066520 672908289 /nfs/dbraw/zinc/90/82/89/672908289.db2.gz BDHLRIUAVNBJAN-UHFFFAOYSA-N 1 0 353.264 2.367 20 30 FEEDRO C[NH+]=C(NCc1ccc(Br)s1)NC1CCN(C(C)=O)CC1 ZINC000262267141 672912165 /nfs/dbraw/zinc/91/21/65/672912165.db2.gz SCQWNMSXRKQYTA-UHFFFAOYSA-N 1 0 373.320 2.187 20 30 FEEDRO C[NH+]=C(NC[C@](C)(O)c1ccsc1)N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000262391934 672914675 /nfs/dbraw/zinc/91/46/75/672914675.db2.gz MIMVDFLDKLUYQY-BORJPKMPSA-N 1 0 351.516 2.324 20 30 FEEDRO CC[NH+]=C(N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C)N1CCC(C(=O)OCC)CC1 ZINC000262394043 672914808 /nfs/dbraw/zinc/91/48/08/672914808.db2.gz MPXLXYIVWQABAM-ARFHVFGLSA-N 1 0 351.491 2.041 20 30 FEEDRO CC1(C)CN(C2(CNC(=[NH2+])N3CCSCC3)CCCCC2)CCO1 ZINC000262540958 672917500 /nfs/dbraw/zinc/91/75/00/672917500.db2.gz RUISAKQVRMQTIL-UHFFFAOYSA-N 1 0 354.564 2.164 20 30 FEEDRO C[NH+]=C(NCc1cc2c(c(Br)c1)OCO2)NC[C@@H]1CCCO1 ZINC000262570700 672917785 /nfs/dbraw/zinc/91/77/85/672917785.db2.gz MWQPOJIAJYZLFD-NSHDSACASA-N 1 0 370.247 2.022 20 30 FEEDRO C[NH+]=C(NCc1ccnn1C)N(C)Cc1ccc(Br)cc1 ZINC000262571670 672918023 /nfs/dbraw/zinc/91/80/23/672918023.db2.gz NBIHVDWUVNVROQ-UHFFFAOYSA-N 1 0 350.264 2.390 20 30 FEEDRO CN(C(=O)Cc1ccc(Br)cc1C#N)[C@@H]1C[NH+]2CCC1CC2 ZINC000593461884 672927022 /nfs/dbraw/zinc/92/70/22/672927022.db2.gz STJDSOZLYWKYJI-MRXNPFEDSA-N 1 0 362.271 2.416 20 30 FEEDRO [NH2+]=C(NC[C@H]1CS(=O)(=O)c2ccccc21)Nc1ccc2c(c1)CCC2 ZINC000263177508 672929670 /nfs/dbraw/zinc/92/96/70/672929670.db2.gz SYDQKDRGGBDPFD-HNNXBMFYSA-N 1 0 355.463 2.473 20 30 FEEDRO CCOCCC[N@@H+]1CC[C@H](NS(=O)(=O)c2ccsc2C#N)[C@H](C)C1 ZINC000593546322 672939125 /nfs/dbraw/zinc/93/91/25/672939125.db2.gz JUFCTJCMUJICNP-KGLIPLIRSA-N 1 0 371.528 2.035 20 30 FEEDRO Cc1n[nH]cc1CCCNC(=[NH2+])N1CCN(c2ccc(Cl)cc2)CC1 ZINC000303778983 673017393 /nfs/dbraw/zinc/01/73/93/673017393.db2.gz KGBNMISEWIRNMS-UHFFFAOYSA-N 1 0 360.893 2.441 20 30 FEEDRO COc1cccc(NC(=[NH2+])NCC(=O)Nc2ccc(F)c(F)c2F)c1 ZINC000303788844 673017571 /nfs/dbraw/zinc/01/75/71/673017571.db2.gz UVBGSDPSPKUGCS-UHFFFAOYSA-N 1 0 352.316 2.478 20 30 FEEDRO CCCCCCNC(=[NH2+])NCc1ccc(CS(=O)(=O)NC(C)C)cc1 ZINC000303880972 673018100 /nfs/dbraw/zinc/01/81/00/673018100.db2.gz KLSBMVLOQYKBTC-UHFFFAOYSA-N 1 0 368.547 2.499 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)C(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000685521194 673019318 /nfs/dbraw/zinc/01/93/18/673019318.db2.gz ZGDFSRJQISHYJT-MRXNPFEDSA-N 1 0 363.527 2.499 20 30 FEEDRO CCCCCCNC(=[NH2+])NCC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000304764347 673020749 /nfs/dbraw/zinc/02/07/49/673020749.db2.gz XXLJGBAWOAPHBV-UHFFFAOYSA-N 1 0 372.457 2.033 20 30 FEEDRO C[NH+]=C(NCCN1CCOCC1)NCC1(c2ccc(F)cc2Cl)CC1 ZINC000305696789 673021863 /nfs/dbraw/zinc/02/18/63/673021863.db2.gz DSSLIAMPISBMQY-UHFFFAOYSA-N 1 0 368.884 2.008 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)N[C@H](C[C@H]1CCCO1)C(F)(F)F ZINC000594180381 673040967 /nfs/dbraw/zinc/04/09/67/673040967.db2.gz ZNBXCNLEERXBDC-ZIAGYGMSSA-N 1 0 364.412 2.363 20 30 FEEDRO CC[N@@H+]1CCC[C@H](CNC(=O)NCC(C)(C)N2C[C@H](C)O[C@@H](C)C2)C1 ZINC000328702121 673065200 /nfs/dbraw/zinc/06/52/00/673065200.db2.gz JNFFMFATJPKBME-YESZJQIVSA-N 1 0 354.539 2.110 20 30 FEEDRO CN(CC(=O)N[C@@H]1CCS(=O)(=O)c2ccccc21)[C@@H]1CCSC1 ZINC000328936767 673069884 /nfs/dbraw/zinc/06/98/84/673069884.db2.gz QXAPMQLVXZVYME-TZMCWYRMSA-N 1 0 354.497 2.299 20 30 FEEDRO CO[C@H]1C[C@@H](C(=O)N2CCC(NC(=O)CC3CCCC3)CC2)[N@H+](C)C1 ZINC000329044103 673071360 /nfs/dbraw/zinc/07/13/60/673071360.db2.gz UHZCGZCYGRPANU-IRXDYDNUSA-N 1 0 351.491 2.233 20 30 FEEDRO C[C@@H]1COCCN1CCNC(=O)[C@@H]1CCCCN1C(=O)c1cccs1 ZINC000329080286 673071862 /nfs/dbraw/zinc/07/18/62/673071862.db2.gz CMOFPUPBKZCLPW-CABCVRRESA-N 1 0 365.499 2.420 20 30 FEEDRO C[N@H+](CCNC(=O)N1CCC[C@H](C(=O)N2CCCC2)C1)C1CCCC1 ZINC000329435223 673077590 /nfs/dbraw/zinc/07/75/90/673077590.db2.gz JNQXISAKNXVYAO-INIZCTEOSA-N 1 0 350.507 2.109 20 30 FEEDRO C[N@H+](CCNC(=O)N1CCS(=O)(=O)C2(CCCCC2)C1)C1CCCC1 ZINC000329648343 673080923 /nfs/dbraw/zinc/08/09/23/673080923.db2.gz AWAWUHMMFJFXKF-UHFFFAOYSA-N 1 0 371.547 2.208 20 30 FEEDRO CC[C@H](C)[C@H](NC(=O)N1CCCC1)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000329763145 673082941 /nfs/dbraw/zinc/08/29/41/673082941.db2.gz UDSDBRFNSMEQNF-RDJZCZTQSA-N 1 0 350.507 2.108 20 30 FEEDRO N#Cc1ccc(CS(=O)(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c(F)c1 ZINC000594483773 673087790 /nfs/dbraw/zinc/08/77/90/673087790.db2.gz PIKCVEHWEGXRQD-SJORKVTESA-N 1 0 351.447 2.134 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1Cl ZINC000333869397 673109335 /nfs/dbraw/zinc/10/93/35/673109335.db2.gz RRFOTMKUDQYELD-CZUORRHYSA-N 1 0 353.875 2.364 20 30 FEEDRO N#C[C@H]1CCC[C@@H]([NH2+]CCNC(=O)c2ccc(Br)cn2)C1 ZINC000595056157 673189941 /nfs/dbraw/zinc/18/99/41/673189941.db2.gz BLPYEROBSWXKMT-WCQYABFASA-N 1 0 351.248 2.246 20 30 FEEDRO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000595110955 673194890 /nfs/dbraw/zinc/19/48/90/673194890.db2.gz CACJEOPMQNSIPF-RYUDHWBXSA-N 1 0 353.444 2.060 20 30 FEEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000419885070 673195780 /nfs/dbraw/zinc/19/57/80/673195780.db2.gz YPXZXZCXXXPTHZ-NEPJUHHUSA-N 1 0 355.891 2.302 20 30 FEEDRO CCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2scc(C(C)(C)C)c2C#N)C1 ZINC000595194492 673207750 /nfs/dbraw/zinc/20/77/50/673207750.db2.gz NUWOZMUEYRDSCH-LBPRGKRZSA-N 1 0 362.499 2.456 20 30 FEEDRO CNS(=O)(=O)c1cccc(C[NH2+]Cc2ccc(O[C@H](C)C#N)cc2)c1 ZINC000728711748 673209803 /nfs/dbraw/zinc/20/98/03/673209803.db2.gz PFIGGRLCCPAGFS-CQSZACIVSA-N 1 0 359.451 2.175 20 30 FEEDRO N#Cc1sccc1N1CCN(C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)CC1 ZINC000595274959 673215920 /nfs/dbraw/zinc/21/59/20/673215920.db2.gz XYDYTXQGEZOFNS-SHTZXODSSA-N 1 0 361.515 2.216 20 30 FEEDRO N#Cc1cc(F)ccc1CS(=O)(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000595409275 673245422 /nfs/dbraw/zinc/24/54/22/673245422.db2.gz CZXHQDOSHFYABB-HNNXBMFYSA-N 1 0 365.474 2.239 20 30 FEEDRO N#Cc1sccc1N1CCN(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000595496110 673258118 /nfs/dbraw/zinc/25/81/18/673258118.db2.gz VPWUMIUDQWJXRG-CABCVRRESA-N 1 0 359.499 2.078 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)NCC2(C(=O)OC(C)(C)C)CCC2)CC1 ZINC000595515184 673259995 /nfs/dbraw/zinc/25/99/95/673259995.db2.gz HVGDLUDLAABLSS-UHFFFAOYSA-N 1 0 351.491 2.448 20 30 FEEDRO C=CCN1C(=S)N=NC1c1sc(NC(=O)C[N@@H+](C)CCC)nc1C ZINC000730104227 673262078 /nfs/dbraw/zinc/26/20/78/673262078.db2.gz MVCDTJAUKSVJQZ-UHFFFAOYSA-N 1 0 366.516 2.465 20 30 FEEDRO CCOc1c(Cl)cc(C=NNC(=S)NCCC[NH+](C)C)cc1OC ZINC000731928115 673348247 /nfs/dbraw/zinc/34/82/47/673348247.db2.gz DTCSMVJHOQMOEP-UHFFFAOYSA-N 1 0 372.922 2.497 20 30 FEEDRO COc1ccc(C=NNC(=S)NCCC[NH+](C)C)cc1OCC(C)C ZINC000731928966 673348394 /nfs/dbraw/zinc/34/83/94/673348394.db2.gz SKBFKLPGRAXHNQ-UHFFFAOYSA-N 1 0 366.531 2.480 20 30 FEEDRO COCCC(Cc1cccc(F)c1)=NNC(=S)NCCC[NH+](C)C ZINC000731930884 673348538 /nfs/dbraw/zinc/34/85/38/673348538.db2.gz QKUKQNKEFSBBEW-UHFFFAOYSA-N 1 0 354.495 2.177 20 30 FEEDRO N#Cc1cc(Br)cnc1N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000596267910 673372966 /nfs/dbraw/zinc/37/29/66/673372966.db2.gz CHCCRAXNEGOZAH-UHFFFAOYSA-N 1 0 365.275 2.407 20 30 FEEDRO N#Cc1c(Br)cccc1N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000596541492 673392812 /nfs/dbraw/zinc/39/28/12/673392812.db2.gz YECSKFNAXNWWDK-ZDUSSCGKSA-N 1 0 350.260 2.356 20 30 FEEDRO C=CCc1cc(OCC)cc(C[N@@H+]2CCC[C@H](S(=O)(=O)NC)C2)c1O ZINC000733300183 673407681 /nfs/dbraw/zinc/40/76/81/673407681.db2.gz KHRMALXTISOCCX-KRWDZBQOSA-N 1 0 368.499 2.033 20 30 FEEDRO C[C@H](CCNC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1)[NH+](C)C ZINC000596833493 673417964 /nfs/dbraw/zinc/41/79/64/673417964.db2.gz XJRSLXXHABUSAO-GFCCVEGCSA-N 1 0 360.849 2.859 20 30 FEEDRO CC(C)OCC[NH+]1CCC(NC(=O)c2cc(F)c(C#N)c(F)c2)CC1 ZINC000597336852 673469476 /nfs/dbraw/zinc/46/94/76/673469476.db2.gz MPDOVJURPVTLRR-UHFFFAOYSA-N 1 0 351.397 2.456 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)O[C@H](C)C(=O)Nc2cc(F)ccc2F)CC1 ZINC000735939604 673508480 /nfs/dbraw/zinc/50/84/80/673508480.db2.gz IHVLMYLAZINQQE-GFCCVEGCSA-N 1 0 350.365 2.180 20 30 FEEDRO CS[C@@H]1CN([C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C[C@H]1[NH+](C)C ZINC000540589132 673548469 /nfs/dbraw/zinc/54/84/69/673548469.db2.gz OETCJKZQXPFYKU-RVKOJVRFSA-N 1 0 366.575 2.283 20 30 FEEDRO C=CC[C@H](CC)NC(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000541379340 673551745 /nfs/dbraw/zinc/55/17/45/673551745.db2.gz IGHGCGINDOQAPG-INIZCTEOSA-N 1 0 352.523 2.267 20 30 FEEDRO C[N@H+](CC(=O)NC1(c2cccc(C#N)c2)CCOCC1)[C@@H]1CCSC1 ZINC000598250938 673552387 /nfs/dbraw/zinc/55/23/87/673552387.db2.gz YFCISYRPARPPCP-QGZVFWFLSA-N 1 0 359.495 2.117 20 30 FEEDRO C=C(C)CNC(=S)N1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000737464335 673565337 /nfs/dbraw/zinc/56/53/37/673565337.db2.gz WNXCEQVDSGHOPI-UHFFFAOYSA-N 1 0 362.543 2.200 20 30 FEEDRO C[N@H+](CCCOc1ccc(S(C)(=O)=O)cc1)C[C@H](O)CC(C)(C)C#N ZINC000598585919 673586808 /nfs/dbraw/zinc/58/68/08/673586808.db2.gz BKBWILQEOVYCHD-OAHLLOKOSA-N 1 0 368.499 2.092 20 30 FEEDRO C=CCn1c(C)nn(CN2CCC(CC[NH+]3CCOCC3)CC2)c1=S ZINC000738110247 673602327 /nfs/dbraw/zinc/60/23/27/673602327.db2.gz DQJWKZRGMCEDQI-UHFFFAOYSA-N 1 0 365.547 2.300 20 30 FEEDRO CC(C)(C#N)C[C@@H](O)C[NH2+]CCNC(=O)c1ccc(Br)cc1 ZINC000598719130 673603194 /nfs/dbraw/zinc/60/31/94/673603194.db2.gz GKKKHMKBQNYRTH-CQSZACIVSA-N 1 0 368.275 2.069 20 30 FEEDRO CCN(CC)c1ccc(C=NNC(=S)NCCC[NH+](C)C)cc1F ZINC000739412180 673631370 /nfs/dbraw/zinc/63/13/70/673631370.db2.gz UIBKFVKCODTKBM-UHFFFAOYSA-N 1 0 353.511 2.422 20 30 FEEDRO COC[C@@H]([NH2+]C[C@@H](O)CC1(C#N)CCOCC1)c1ccc(F)c(F)c1 ZINC000599354574 673663225 /nfs/dbraw/zinc/66/32/25/673663225.db2.gz QJSQQUDZIDRIHY-WMLDXEAASA-N 1 0 354.397 2.313 20 30 FEEDRO CO[C@]1(C(F)(F)F)CCC[N@H+](C[C@H](O)CC2(C#N)CCOCC2)C1 ZINC000599380857 673667063 /nfs/dbraw/zinc/66/70/63/673667063.db2.gz ZTKGSGUCCXXTQT-UKRRQHHQSA-N 1 0 350.381 2.101 20 30 FEEDRO CCC[C@]1(C(=O)OCC)CCC[N@@H+]1C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599386712 673667534 /nfs/dbraw/zinc/66/75/34/673667534.db2.gz WNYUPPKXNODASW-QFBILLFUSA-N 1 0 352.475 2.256 20 30 FEEDRO C[C@H]1CC(N=Nc2ccc(S(=O)(=O)NC3CCCC3)cn2)CC[N@@H+]1C ZINC000741460059 673687484 /nfs/dbraw/zinc/68/74/84/673687484.db2.gz LAOHDHYUJVCAGQ-ZDUSSCGKSA-N 1 0 365.503 2.185 20 30 FEEDRO CC1(C)CCC[C@](CO)([NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000599592828 673695161 /nfs/dbraw/zinc/69/51/61/673695161.db2.gz AHPLKOVLGZHYBG-SFHVURJKSA-N 1 0 350.484 2.253 20 30 FEEDRO CNS(=O)(=O)C[C@H]1CCC[N@H+](Cc2cccc(OCCCC#N)c2)C1 ZINC000600214179 673749549 /nfs/dbraw/zinc/74/95/49/673749549.db2.gz SPEZZQOAPOMXFF-KRWDZBQOSA-N 1 0 365.499 2.130 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)CC(C)(C)NC(=O)OC(C)(C)C)CC1 ZINC000743493315 673761814 /nfs/dbraw/zinc/76/18/14/673761814.db2.gz NQMNCMZUVYFCRG-UHFFFAOYSA-N 1 0 351.491 2.284 20 30 FEEDRO N#CC1(C[C@@H](O)C[NH2+]CCNc2ncc(Cl)cc2Cl)CCOCC1 ZINC000600717864 673794266 /nfs/dbraw/zinc/79/42/66/673794266.db2.gz STIHXUMUTBSNOV-CYBMUJFWSA-N 1 0 373.284 2.461 20 30 FEEDRO N#CC1(C[C@@H](O)C[NH2+]C[C@@H](c2ccccc2Cl)N2CCOCC2)CC1 ZINC000600718211 673794275 /nfs/dbraw/zinc/79/42/75/673794275.db2.gz OJXWEMQXOYXCRR-QAPCUYQASA-N 1 0 363.889 2.358 20 30 FEEDRO N#CC1(C[C@@H](O)C[NH2+][C@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)CC1 ZINC000600732797 673795070 /nfs/dbraw/zinc/79/50/70/673795070.db2.gz UZWXNVKBUBWXNX-DOMZBBRYSA-N 1 0 351.809 2.229 20 30 FEEDRO N#CC1(CS(=O)(=O)N2CCCN(c3cc[nH+]cc3)CC2)CCCCC1 ZINC000601524139 673877352 /nfs/dbraw/zinc/87/73/52/673877352.db2.gz YCCVKROXWROFPI-UHFFFAOYSA-N 1 0 362.499 2.398 20 30 FEEDRO C#CCN1CCN(C(=O)C[N@H+]2CCC[C@@H]2Cc2ccccc2Cl)CC1 ZINC000746503278 673882180 /nfs/dbraw/zinc/88/21/80/673882180.db2.gz LAHAGHDUVPIQLC-GOSISDBHSA-N 1 0 359.901 2.124 20 30 FEEDRO C[NH+]1CCC([C@H]2CCN(S(=O)(=O)CC3(C#N)CCCCC3)C2)CC1 ZINC000547801826 673889563 /nfs/dbraw/zinc/88/95/63/673889563.db2.gz LGALTKOENCTZCR-KRWDZBQOSA-N 1 0 353.532 2.454 20 30 FEEDRO C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000602539577 673907594 /nfs/dbraw/zinc/90/75/94/673907594.db2.gz IZIZTLAGYSZEKC-WHOFXGATSA-N 1 0 355.360 2.311 20 30 FEEDRO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)n1cc(C[NH2+]C2CC2)nn1 ZINC000603205033 673918964 /nfs/dbraw/zinc/91/89/64/673918964.db2.gz XKOVNQGLBBCQAB-JTQLQIEISA-N 1 0 356.455 2.152 20 30 FEEDRO C[C@@H](CNS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1)[NH+]1CCCC1 ZINC000548820678 673998172 /nfs/dbraw/zinc/99/81/72/673998172.db2.gz DWCOUPXMCGMPDQ-NSHDSACASA-N 1 0 361.389 2.340 20 30 FEEDRO C#CCC[NH+]1CCC(NS(=O)(=O)CCc2ccc(Cl)cc2)CC1 ZINC000818278099 675209937 /nfs/dbraw/zinc/20/99/37/675209937.db2.gz AZQRMNQFPKWFGY-UHFFFAOYSA-N 1 0 354.903 2.290 20 30 FEEDRO C#CC[N@@H+](C)CCCNC(=O)[C@@H](C)c1c(C)nn(CC(F)(F)F)c1C ZINC000818593244 675226796 /nfs/dbraw/zinc/22/67/96/675226796.db2.gz QVRCWDCHZYGTFL-LBPRGKRZSA-N 1 0 358.408 2.237 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+]CC[C@@H]2CCc3ccccc32)nc1 ZINC000566614878 675228916 /nfs/dbraw/zinc/22/89/16/675228916.db2.gz CCCCDCLFUSLLGV-KRWDZBQOSA-N 1 0 355.463 2.437 20 30 FEEDRO C#CCNC(=O)CC[NH2+][C@H]1CCCN(Cc2ccc(F)cc2Cl)C1 ZINC000819051202 675255725 /nfs/dbraw/zinc/25/57/25/675255725.db2.gz OPEQKMASBMGDSR-INIZCTEOSA-N 1 0 351.853 2.173 20 30 FEEDRO CN(CCC[N@H+](C)Cc1ccco1)S(=O)(=O)c1ccc(C#N)cc1F ZINC000567068933 675264762 /nfs/dbraw/zinc/26/47/62/675264762.db2.gz DYXRJIRZPREJRY-UHFFFAOYSA-N 1 0 365.430 2.433 20 30 FEEDRO C#CCNC(=O)CC[NH2+]C[C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000819195509 675268664 /nfs/dbraw/zinc/26/86/64/675268664.db2.gz DPTOMNJMDXZGFV-KSSFIOAISA-N 1 0 351.853 2.201 20 30 FEEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+][C@@H]2CC[C@@H]3SCCS[C@@H]23)c1 ZINC000819197259 675268808 /nfs/dbraw/zinc/26/88/08/675268808.db2.gz HOYXTOSAUHGJOD-PMPSAXMXSA-N 1 0 368.549 2.301 20 30 FEEDRO CC(C)C[C@H](NC(=O)c1cc(C#N)ccc1Cl)C(=O)NCC[NH+](C)C ZINC000567186246 675273970 /nfs/dbraw/zinc/27/39/70/675273970.db2.gz QQDSJAUKNZILEJ-INIZCTEOSA-N 1 0 364.877 2.034 20 30 FEEDRO CC[N@@H+]1CCN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000819527298 675296455 /nfs/dbraw/zinc/29/64/55/675296455.db2.gz KSZIOBPRMKFGSP-HUUCEWRRSA-N 1 0 352.479 2.126 20 30 FEEDRO C#CCN(CC(=O)N(C)C1CC[NH+](C(C)C)CC1)C(=O)OC(C)(C)C ZINC000820546795 675368984 /nfs/dbraw/zinc/36/89/84/675368984.db2.gz QZOSZCMCOWJZHD-UHFFFAOYSA-N 1 0 351.491 2.188 20 30 FEEDRO C#CCO[C@@H](C)C(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000822841088 675510622 /nfs/dbraw/zinc/51/06/22/675510622.db2.gz SUALROUYVSFGSP-AWEZNQCLSA-N 1 0 367.287 2.378 20 30 FEEDRO C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3ccc(Br)cc3C#N)CC[C@@H]21 ZINC000827234084 675742098 /nfs/dbraw/zinc/74/20/98/675742098.db2.gz WNNRFLZDMPJGFA-CJNGLKHVSA-N 1 0 362.271 2.416 20 30 FEEDRO C[NH+](C)CC#CCNC(=O)c1cc2ccc(C(F)(F)F)cc2[nH]c1=O ZINC000827972228 675789942 /nfs/dbraw/zinc/78/99/42/675789942.db2.gz WPGKKPLHQLDIOP-UHFFFAOYSA-N 1 0 351.328 2.254 20 30 FEEDRO C#CCN(CC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)C(=O)OC(C)(C)C ZINC000827998361 675791232 /nfs/dbraw/zinc/79/12/32/675791232.db2.gz HMSPEDCCLRPBLW-HNNXBMFYSA-N 1 0 353.507 2.339 20 30 FEEDRO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H](OCC(F)(F)F)C2)cc1 ZINC000603840831 675801487 /nfs/dbraw/zinc/80/14/87/675801487.db2.gz ZEBCWJBVTPSMQD-GDBMZVCRSA-N 1 0 358.360 2.341 20 30 FEEDRO CCN(CCC#N)S(=O)(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000619707380 676391421 /nfs/dbraw/zinc/39/14/21/676391421.db2.gz GDRHFDATWIKPDD-UHFFFAOYSA-N 1 0 356.536 2.055 20 30 FEEDRO C=CCOc1c(Cl)cc(CNC[C@H](O)C[NH+]2CCCC2)cc1OC ZINC000623372838 676531519 /nfs/dbraw/zinc/53/15/19/676531519.db2.gz IVUUZDKHNJVMKA-HNNXBMFYSA-N 1 0 354.878 2.460 20 30 FEEDRO C=CCNC(=O)C[NH2+][C@@H]1CCN(C)[C@H](c2ccc(Br)cc2)C1 ZINC000638847331 677151055 /nfs/dbraw/zinc/15/10/55/677151055.db2.gz PKLBNSUSYHIYOG-CVEARBPZSA-N 1 0 366.303 2.476 20 30 FEEDRO C=CCNC(=O)C[NH2+][C@@H]1CCN(C)[C@@H](c2ccc(Br)cc2)C1 ZINC000638847333 677151088 /nfs/dbraw/zinc/15/10/88/677151088.db2.gz PKLBNSUSYHIYOG-HZPDHXFCSA-N 1 0 366.303 2.476 20 30 FEEDRO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)C[C@@H](O)CC1(O)CCOCC1 ZINC000639643661 677162921 /nfs/dbraw/zinc/16/29/21/677162921.db2.gz LYSPLAOWTGJUPJ-SFHVURJKSA-N 1 0 351.491 2.135 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639761885 677165337 /nfs/dbraw/zinc/16/53/37/677165337.db2.gz OTQGYVGWDFFESF-VQIMIIECSA-N 1 0 365.543 2.040 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)n1cc(C[C@@H]2CC[NH2+]C2)nn1 ZINC000640930573 677192002 /nfs/dbraw/zinc/19/20/02/677192002.db2.gz UGKRGFIIMKBCPY-GJZGRUSLSA-N 1 0 359.499 2.267 20 30 FEEDRO C#C[C@H](NC(=O)NC[C@H](c1ccc(SC)cc1)[NH+](C)C)[C@H]1CCCO1 ZINC000838560224 680701684 /nfs/dbraw/zinc/70/16/84/680701684.db2.gz UVSWBPDYUNOBFJ-RCCFBDPRSA-N 1 0 361.511 2.491 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cc(C(F)F)ccc2F)CC1 ZINC000651589618 677436057 /nfs/dbraw/zinc/43/60/57/677436057.db2.gz LLNPFBDPJUZGKT-UHFFFAOYSA-N 1 0 355.360 2.468 20 30 FEEDRO CC[C@@H](C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N)[NH+](CC)CC ZINC000764205079 680802605 /nfs/dbraw/zinc/80/26/05/680802605.db2.gz YQRZDBIURKPPBC-GJZGRUSLSA-N 1 0 352.479 2.078 20 30 FEEDRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)Nc1cccc(C#Cc2cccs2)c1 ZINC000667350593 679094882 /nfs/dbraw/zinc/09/48/82/679094882.db2.gz XQIKWSPPWRKDIA-KRWDZBQOSA-N 1 0 355.463 2.186 20 30 FEEDRO C#CC[C@@H]([NH2+]CC(=O)Nc1nc(CC(=O)OC)cs1)c1ccccc1 ZINC000765004751 680826803 /nfs/dbraw/zinc/82/68/03/680826803.db2.gz VYBFFTMWXDLVIK-OAHLLOKOSA-N 1 0 357.435 2.151 20 30 FEEDRO C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CCS[C@@H](CC)C1 ZINC000669033914 679216271 /nfs/dbraw/zinc/21/62/71/679216271.db2.gz CMDVLIAOIDCSEU-PMPSAXMXSA-N 1 0 363.531 2.332 20 30 FEEDRO C=C(C)Cn1c([C@H](C)OCCOC)nnc1N1CC[N@@H+](CC)[C@H](C)C1 ZINC000670230170 679276646 /nfs/dbraw/zinc/27/66/46/679276646.db2.gz LSTLNWWDRFHXOR-CVEARBPZSA-N 1 0 351.495 2.109 20 30 FEEDRO C#CCCCCCC(=O)Nc1cccc(S(=O)(=O)NCC[NH+](C)C)c1 ZINC000765726819 680852564 /nfs/dbraw/zinc/85/25/64/680852564.db2.gz AQNPWHBQCOVWPY-UHFFFAOYSA-N 1 0 365.499 2.049 20 30 FEEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)Nc1cc(Cl)ccc1OC[C@@H]1CCCO1 ZINC000841082559 680862472 /nfs/dbraw/zinc/86/24/72/680862472.db2.gz ZOGKXPFIMWVLFE-ZLDLUXBVSA-N 1 0 364.833 2.131 20 30 FEEDRO Cc1cc(Sc2ncccn2)ccc1NC(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000841097272 680863153 /nfs/dbraw/zinc/86/31/53/680863153.db2.gz IAEVUXWTJSLHSU-WFASDCNBSA-N 1 0 354.439 2.169 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](CC2CCOCC2)C1 ZINC001008806997 679961307 /nfs/dbraw/zinc/96/13/07/679961307.db2.gz BRHMVAGIQKNMPM-FHWLQOOXSA-N 1 0 350.503 2.365 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@H]([NH2+]Cc2cc(OC)ns2)C1 ZINC001019488067 680094584 /nfs/dbraw/zinc/09/45/84/680094584.db2.gz PNRXSPOHMINCMO-QRTARXTBSA-N 1 0 365.499 2.214 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cc(O)ccc2Cl)C1 ZINC001020604793 680111955 /nfs/dbraw/zinc/11/19/55/680111955.db2.gz OJUMLZBLIXZHBP-SMKXDYDZSA-N 1 0 350.846 2.374 20 30 FEEDRO CC[N@@H+]1CCC[C@@H]1CNC(=S)N1CCN(c2ccccc2C#N)CC1 ZINC000751015049 680148027 /nfs/dbraw/zinc/14/80/27/680148027.db2.gz QYOZXLPBNBMISD-QGZVFWFLSA-N 1 0 357.527 2.039 20 30 FEEDRO C=CCCC[C@H]([NH3+])C(=O)Nc1cc(S(=O)(=O)N(C)C)cc(C)c1C ZINC000912113010 685315423 /nfs/dbraw/zinc/31/54/23/685315423.db2.gz KVCLQIYHYMALMM-HNNXBMFYSA-N 1 0 353.488 2.176 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc3nsnc32)C1 ZINC001022737022 680234307 /nfs/dbraw/zinc/23/43/07/680234307.db2.gz MTQOXGLRRIOYQC-CTASWTNQSA-N 1 0 358.467 2.019 20 30 FEEDRO CC(C)c1c(C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)cnn1-c1cccc(Cl)c1 ZINC000834516820 680237157 /nfs/dbraw/zinc/23/71/57/680237157.db2.gz MKALXXMAVGYITC-BLLLJJGKSA-N 1 0 357.845 2.490 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]C[C@H](O)C2CCCCC2)C1 ZINC001022842847 680241931 /nfs/dbraw/zinc/24/19/31/680241931.db2.gz HSHGCLGQANEWIJ-PJVZLEMVSA-N 1 0 350.503 2.146 20 30 FEEDRO C=C(Br)CN1CCCC2(CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC000981780579 680251514 /nfs/dbraw/zinc/25/15/14/680251514.db2.gz MRNWEFWAIDMYFV-HUUCEWRRSA-N 1 0 370.335 2.160 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@H](C[NH2+]Cc2snnc2C)C1 ZINC001024195334 680283888 /nfs/dbraw/zinc/28/38/88/680283888.db2.gz AFICKUGREGHBRF-VYDXJSESSA-N 1 0 364.515 2.156 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1CCC([NH2+]Cc2cnns2)CC1 ZINC001026574448 680347583 /nfs/dbraw/zinc/34/75/83/680347583.db2.gz WZTCGKBZUBLNKQ-LCSXWQTCSA-N 1 0 364.515 2.426 20 30 FEEDRO COC(=O)C[C@H]([NH2+][C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2)C1CC1 ZINC000754523060 680360962 /nfs/dbraw/zinc/36/09/62/680360962.db2.gz ZGPNQXSAYVTEPB-YGRLFVJLSA-N 1 0 361.467 2.367 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2nnc(C)s2)CC1 ZINC000997782092 680365590 /nfs/dbraw/zinc/36/55/90/680365590.db2.gz PWTJLCGMFXDXFI-CVEARBPZSA-N 1 0 364.515 2.156 20 30 FEEDRO C=C(Cl)C[N@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2C[C@@H](C)CC(=O)N2)CC1 ZINC000998005088 680371269 /nfs/dbraw/zinc/37/12/69/680371269.db2.gz FVYDRQDXPFLNCX-FVQBIDKESA-N 1 0 355.910 2.357 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2nnc(C)s2)CC1 ZINC001034647084 680436573 /nfs/dbraw/zinc/43/65/73/680436573.db2.gz JAECHBXNEFUSKE-FPCVCCKLSA-N 1 0 364.515 2.345 20 30 FEEDRO N#Cc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)s1 ZINC001034962151 680441712 /nfs/dbraw/zinc/44/17/12/680441712.db2.gz ADIZTCLPAZVLQU-DAXOMENPSA-N 1 0 355.467 2.227 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[N@H+](CCC2CCCCC2)CCO1 ZINC001035515376 680449381 /nfs/dbraw/zinc/44/93/81/680449381.db2.gz FSSQTFHBPFBZTO-OTWHNJEPSA-N 1 0 350.503 2.365 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2C[C@@H](C)OC ZINC001039941444 680468008 /nfs/dbraw/zinc/46/80/08/680468008.db2.gz SAZIGLMKVXJSAM-GFEQUFNTSA-N 1 0 350.503 2.458 20 30 FEEDRO C=C(Cl)C(C)(C)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[N@H+]1C)C2 ZINC001001701115 680472751 /nfs/dbraw/zinc/47/27/51/680472751.db2.gz WZWKNCFYKGVIEC-APIJFGDWSA-N 1 0 353.894 2.107 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)N[C@@H](C#C)c1ccc(Br)cc1 ZINC000836491458 680476851 /nfs/dbraw/zinc/47/68/51/680476851.db2.gz SBROPDUBJPHPHV-INIZCTEOSA-N 1 0 362.271 2.378 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1CC[NH+](C[C@H]2CCCOC2)CC1 ZINC001001931167 680482670 /nfs/dbraw/zinc/48/26/70/680482670.db2.gz LAYLGDZKQBSJAV-QYZOEREBSA-N 1 0 350.503 2.222 20 30 FEEDRO C=C(C[NH+](C)C)C(=O)N(C)[C@H](CO)c1cc(OC)ccc1Br ZINC000836822567 680518580 /nfs/dbraw/zinc/51/85/80/680518580.db2.gz MNBCRPTZDSBTMT-OAHLLOKOSA-N 1 0 371.275 2.067 20 30 FEEDRO C[C@@H]1[C@H](C(=O)N(C)C2CN(CC#Cc3ccc(Cl)cc3)C2)CC[N@@H+]1C ZINC001042744838 680541335 /nfs/dbraw/zinc/54/13/35/680541335.db2.gz ACEQQBGKZLUFNW-DNVCBOLYSA-N 1 0 359.901 2.174 20 30 FEEDRO C=C(Cl)C[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2OCCO[C@H]2C)CC1 ZINC001004456807 680556422 /nfs/dbraw/zinc/55/64/22/680556422.db2.gz IFYRNWYIYYFIBH-XIRDDKMYSA-N 1 0 356.894 2.246 20 30 FEEDRO CC[C@@H](C(=O)N1C[C@@H](C)[C@H](Nc2snc(Cl)c2C#N)C1)[NH+](C)C ZINC001043261309 680569991 /nfs/dbraw/zinc/56/99/91/680569991.db2.gz GASRKMYIWYNMMF-JLLWLGSASA-N 1 0 355.895 2.267 20 30 FEEDRO CN(c1ccc(OCC[NH+](C)C)cc1)S(=O)(=O)CC1(C#N)CCCC1 ZINC000759026680 680622359 /nfs/dbraw/zinc/62/23/59/680622359.db2.gz OGJKFLHSLBHWCY-UHFFFAOYSA-N 1 0 365.499 2.477 20 30 FEEDRO C=C(Cl)C[NH+]1CCC2(CO[C@@H](CNC(=O)[C@H]3CC[C@@H](C)O3)C2)CC1 ZINC001045682193 680638410 /nfs/dbraw/zinc/63/84/10/680638410.db2.gz PRZQCRPDOODTMQ-BZUAXINKSA-N 1 0 356.894 2.294 20 30 FEEDRO CC#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3C[C@H]3c3ccsc3)CC2)C1 ZINC001046038000 680642995 /nfs/dbraw/zinc/64/29/95/680642995.db2.gz FLGPRALGOMZTLA-CEXWTWQISA-N 1 0 357.523 2.093 20 30 FEEDRO C[N@H+](CCCc1[nH]nc(N)c1C#N)C[C@@H](O)c1ccc(Cl)c(F)c1 ZINC000759853409 680669956 /nfs/dbraw/zinc/66/99/56/680669956.db2.gz UDKCUZBHRNMLTI-OAHLLOKOSA-N 1 0 351.813 2.254 20 30 FEEDRO C#C[C@@H](NC(=O)C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1)C(C)(C)C ZINC000841130432 680864981 /nfs/dbraw/zinc/86/49/81/680864981.db2.gz QMTIZGGJZJNTCZ-CYBMUJFWSA-N 1 0 355.360 2.267 20 30 FEEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)Nc1ccc2c(c1)N(CC(F)F)CCS2 ZINC000841236116 680870525 /nfs/dbraw/zinc/87/05/25/680870525.db2.gz ZFAPKLFOLCAFIN-ZYHUDNBSSA-N 1 0 367.425 2.097 20 30 FEEDRO CC[C@@H](C#N)Oc1cccc(CNC(=O)N[C@H]2C[NH2+]CCC2(F)F)c1 ZINC000841816290 680913845 /nfs/dbraw/zinc/91/38/45/680913845.db2.gz ACMGWSPAQFLYFU-ZFWWWQNUSA-N 1 0 352.385 2.164 20 30 FEEDRO Cc1ncsc1CNC(NCCCN1CCOCC1)=[NH+]C(C)(C)C ZINC000912506397 685388565 /nfs/dbraw/zinc/38/85/65/685388565.db2.gz NOHANMXVVHIABF-UHFFFAOYSA-N 1 0 353.536 2.008 20 30 FEEDRO CSCCC[NH+]=C(NCCc1cccc(C(N)=O)c1)NC(C)(C)C ZINC000912508406 685388798 /nfs/dbraw/zinc/38/87/98/685388798.db2.gz MQJSWAAEPFQUJP-UHFFFAOYSA-N 1 0 350.532 2.415 20 30 FEEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)C1(c2ccc(Br)cc2)CCCC1 ZINC000843462325 681005014 /nfs/dbraw/zinc/00/50/14/681005014.db2.gz PMKOLMHXNNBTHB-WFASDCNBSA-N 1 0 362.271 2.489 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[C@H](C[NH2+]Cc2cnsn2)CC1 ZINC001050376299 681046958 /nfs/dbraw/zinc/04/69/58/681046958.db2.gz WRNXNHUCQJXENH-OTRWWLKZSA-N 1 0 364.515 2.284 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](Cc2snnc2C)CC1 ZINC001052786313 681086317 /nfs/dbraw/zinc/08/63/17/681086317.db2.gz UADLSYSIDZCTKS-ZOBUZTSGSA-N 1 0 364.515 2.298 20 30 FEEDRO C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1CNc1nc(Cl)c(C#N)s1 ZINC001053653819 681102636 /nfs/dbraw/zinc/10/26/36/681102636.db2.gz ZSHSTQMUYOPHQA-IJLUTSLNSA-N 1 0 367.906 2.269 20 30 FEEDRO C=CC[C@H]1CC[C@H]([NH2+]CC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000845929466 681163043 /nfs/dbraw/zinc/16/30/43/681163043.db2.gz UZFCXAJBGCIHTC-HOTGVXAUSA-N 1 0 351.491 2.400 20 30 FEEDRO C[N@@H+](Cc1cnc(N2CCOCC2)s1)C[C@@H](O)c1cccc(C#N)c1 ZINC000846006904 681172635 /nfs/dbraw/zinc/17/26/35/681172635.db2.gz LFBCYVPLUIAKLB-QGZVFWFLSA-N 1 0 358.467 2.017 20 30 FEEDRO CC(=O)c1ccc(Br)c(NC(=O)NCC#CC[NH+](C)C)c1 ZINC000932220221 681198361 /nfs/dbraw/zinc/19/83/61/681198361.db2.gz KLBPLWWILPZGGW-UHFFFAOYSA-N 1 0 352.232 2.338 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N2CCC[C@](O)(c3ccc(Cl)cc3)C2)CC1 ZINC000846351444 681230259 /nfs/dbraw/zinc/23/02/59/681230259.db2.gz BADVPONSJKCVOA-HXUWFJFHSA-N 1 0 360.885 2.495 20 30 FEEDRO FC1(F)[C@H]2C[NH+](CCc3cn[nH]n3)C[C@@H]2C(F)(F)C(F)(F)C1(F)F ZINC000932941914 681331903 /nfs/dbraw/zinc/33/19/03/681331903.db2.gz DUEVILIGMITNQS-YUMQZZPRSA-N 1 0 364.240 2.450 20 30 FEEDRO FC1(F)[C@@H]2C[NH+](CCc3cn[nH]n3)C[C@H]2C(F)(F)C(F)(F)C1(F)F ZINC000932941908 681332043 /nfs/dbraw/zinc/33/20/43/681332043.db2.gz DUEVILIGMITNQS-HTQZYQBOSA-N 1 0 364.240 2.450 20 30 FEEDRO O=C1NCCC[C@H]1[N@@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932948680 681334143 /nfs/dbraw/zinc/33/41/43/681334143.db2.gz LVGOCKPWQUVQAA-GJMOJQLCSA-N 1 0 366.252 2.368 20 30 FEEDRO C#C[C@H]([NH2+][C@H](C)C[C@H]1COCCN1C(=O)OC(C)(C)C)[C@@H]1CCCO1 ZINC000776003486 681356267 /nfs/dbraw/zinc/35/62/67/681356267.db2.gz WNKCABGQCZUSLE-QZWWFDLISA-N 1 0 352.475 2.171 20 30 FEEDRO C#C[C@H]([NH2+][C@H](C)C[C@H]1COCCN1C(=O)OC(C)(C)C)[C@H]1CCCO1 ZINC000776003481 681356326 /nfs/dbraw/zinc/35/63/26/681356326.db2.gz WNKCABGQCZUSLE-LTIDMASMSA-N 1 0 352.475 2.171 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCOC2(CC[NH+](C/C=C/Cl)CC2)C1 ZINC000949209472 681624459 /nfs/dbraw/zinc/62/44/59/681624459.db2.gz CULVSPYLBRHSTK-UCLCUNAYSA-N 1 0 368.905 2.414 20 30 FEEDRO C[C@@H]1C[N@@H+](C[C@H](O)CC2(C#N)CCOCC2)C[C@H](C)N1CC(F)(F)F ZINC000934790641 681634942 /nfs/dbraw/zinc/63/49/42/681634942.db2.gz DEOFSOXLMXLREY-QLFBSQMISA-N 1 0 363.424 2.015 20 30 FEEDRO CC(C)CSCCNC1=[NH+]C[C@H]2CN(C(=O)OC(C)(C)C)CCN12 ZINC000848993104 681647275 /nfs/dbraw/zinc/64/72/75/681647275.db2.gz WASFPNFRPWDOCM-AWEZNQCLSA-N 1 0 356.536 2.256 20 30 FEEDRO Cc1c(Br)cccc1C[C@@H](CO)C[NH+]=C(N(C)C)N(C)C ZINC000849117294 681658503 /nfs/dbraw/zinc/65/85/03/681658503.db2.gz YTHLQVWCQXBDDF-CYBMUJFWSA-N 1 0 356.308 2.388 20 30 FEEDRO C=C(Cl)C(C)(C)C(=O)N1CC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC000950256087 681681085 /nfs/dbraw/zinc/68/10/85/681681085.db2.gz SSPKIAQIDVWSSF-SOUVJXGZSA-N 1 0 355.910 2.213 20 30 FEEDRO C=CC1(CC(=O)N2CCC(O)(C[NH+]3CCOCC3)CC2)CCCCC1 ZINC000935207287 681710671 /nfs/dbraw/zinc/71/06/71/681710671.db2.gz ORVJXZCVMVLYTB-UHFFFAOYSA-N 1 0 350.503 2.199 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[NH+](CCC[C@H]2CCOC2)CC1 ZINC000951595204 681749810 /nfs/dbraw/zinc/74/98/10/681749810.db2.gz XBFOMOZNXDXYLC-FHWLQOOXSA-N 1 0 350.503 2.319 20 30 FEEDRO C[NH+](C)CC#CCNC(=O)c1[nH]nc(-c2ccccc2)c1Br ZINC000913517606 685479286 /nfs/dbraw/zinc/47/92/86/685479286.db2.gz ILTBQJRJIBRYIS-UHFFFAOYSA-N 1 0 361.243 2.134 20 30 FEEDRO CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC[C@H]([NH+](C)C)CC2)c1 ZINC000935649842 681792492 /nfs/dbraw/zinc/79/24/92/681792492.db2.gz UWHQGJUDKMENSB-KRWDZBQOSA-N 1 0 362.495 2.040 20 30 FEEDRO C[NH+](C)CC1(O)CCN(C(=O)c2c(Cl)cc(C#N)cc2Cl)CC1 ZINC000913679395 685481963 /nfs/dbraw/zinc/48/19/63/685481963.db2.gz ZITDCPZTKCGIKB-UHFFFAOYSA-N 1 0 356.253 2.394 20 30 FEEDRO C=C(Cl)C(C)(C)C(=O)N1CC[C@H](N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000938573472 681941649 /nfs/dbraw/zinc/94/16/49/681941649.db2.gz GLQAVNIWAWCXMA-VHDGCEQUSA-N 1 0 355.910 2.165 20 30 FEEDRO C=C(Cl)C(C)(C)C(=O)N1CC[C@@H](N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000938573471 681941703 /nfs/dbraw/zinc/94/17/03/681941703.db2.gz GLQAVNIWAWCXMA-BPLDGKMQSA-N 1 0 355.910 2.165 20 30 FEEDRO C=C(Cl)C(C)(C)C(=O)N1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000939336284 681978128 /nfs/dbraw/zinc/97/81/28/681978128.db2.gz ONCDROJHWSGDFA-BFJAYTPKSA-N 1 0 369.937 2.459 20 30 FEEDRO C#CCN(C(=O)NCC(=O)Nc1ccc(Cl)cc1)C1CC[NH+](C)CC1 ZINC000914326004 685504061 /nfs/dbraw/zinc/50/40/61/685504061.db2.gz YIWVNRKCKZIXGO-UHFFFAOYSA-N 1 0 362.861 2.018 20 30 FEEDRO C=C(Br)CNC(=O)N1CC2(CCCC2)OC[C@@H]1C[NH+](C)C ZINC000914418777 685507408 /nfs/dbraw/zinc/50/74/08/685507408.db2.gz WXNQVWIDCVEPTC-ZDUSSCGKSA-N 1 0 360.296 2.180 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCOC2CCC2)CC1(C)C ZINC000941040209 682096702 /nfs/dbraw/zinc/09/67/02/682096702.db2.gz XHHJPJAYHKALSP-SQNIBIBYSA-N 1 0 350.503 2.363 20 30 FEEDRO Cc1ncc(S(=O)(=O)NC2CCC3(CC2)CC[NH+](C)CC3)cc1C#N ZINC000915970234 685519970 /nfs/dbraw/zinc/51/99/70/685519970.db2.gz OEXOPKRLHAGEPI-UHFFFAOYSA-N 1 0 362.499 2.195 20 30 FEEDRO C=CCS(=O)(=O)CC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000783536291 682150998 /nfs/dbraw/zinc/15/09/98/682150998.db2.gz KLFCZBSBKDDSIC-CABCVRRESA-N 1 0 360.520 2.355 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CCC([NH2+]Cc2nnc(C)s2)CC1 ZINC000963926184 682151468 /nfs/dbraw/zinc/15/14/68/682151468.db2.gz FYJLUQPUGBJZAD-FJBKBRRZSA-N 1 0 364.515 2.297 20 30 FEEDRO N#CCCCC[NH+]1CCC(n2nncc2I)CC1 ZINC000852532079 682296917 /nfs/dbraw/zinc/29/69/17/682296917.db2.gz COCVOZSLHUKBDG-UHFFFAOYSA-N 1 0 359.215 2.213 20 30 FEEDRO O=C(C#CC1CC[NH2+]CC1)Nc1nc(-c2ccc3c(c2)OCO3)cs1 ZINC000852803058 682344987 /nfs/dbraw/zinc/34/49/87/682344987.db2.gz YXJUSIPHGQFPIY-UHFFFAOYSA-N 1 0 355.419 2.480 20 30 FEEDRO C[N@H+](Cc1ccc(C#N)s1)[C@H]1CCN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C1 ZINC000971965940 682383510 /nfs/dbraw/zinc/38/35/10/682383510.db2.gz IMHWKVPEPIHYQS-DFEHZGFQSA-N 1 0 359.495 2.468 20 30 FEEDRO C#CCOc1cc(F)ccc1NC(=O)N[C@H](CO)CC[NH+](CC)CC ZINC000788005909 682496384 /nfs/dbraw/zinc/49/63/84/682496384.db2.gz BTIDNHXJVBHIKS-HNNXBMFYSA-N 1 0 351.422 2.052 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)c1ccc(C(F)(F)Br)nc1 ZINC000854663716 682577072 /nfs/dbraw/zinc/57/70/72/682577072.db2.gz DLLPOHZVTMOFET-UHFFFAOYSA-N 1 0 360.202 2.211 20 30 FEEDRO CC[C@@H]1CN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)C[C@H](C)[NH2+]1 ZINC000856407593 682776627 /nfs/dbraw/zinc/77/66/27/682776627.db2.gz UMTIFLMTBCZCOC-ZNMIVQPWSA-N 1 0 352.479 2.172 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)NC[C@@H](C)N(CC)C(=O)OC(C)(C)C)CC1 ZINC000791991540 682779203 /nfs/dbraw/zinc/77/92/03/682779203.db2.gz OERHZTMMIOMUBE-OAHLLOKOSA-N 1 0 351.491 2.093 20 30 FEEDRO C=CCNc1ncc(C(=O)OCCCN2CC[NH+](C(C)C)CC2)s1 ZINC000792040111 682783364 /nfs/dbraw/zinc/78/33/64/682783364.db2.gz QZHMCZQVRITDIL-UHFFFAOYSA-N 1 0 352.504 2.314 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)N[C@H]1CCN(c2ccc(Cl)cc2F)C1 ZINC000858493475 682972992 /nfs/dbraw/zinc/97/29/92/682972992.db2.gz VZJBUEVVTZZKAO-HNNXBMFYSA-N 1 0 366.868 2.312 20 30 FEEDRO C[C@@H]1C[NH2+]C[C@H]1CNC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 ZINC000926088812 683074789 /nfs/dbraw/zinc/07/47/89/683074789.db2.gz MVGGHECVEQCZET-YPMHNXCESA-N 1 0 358.833 2.374 20 30 FEEDRO CO[C@H]1C[N@H+](C)[C@@](C)(COC(=O)c2cnc(C(F)(F)F)c(C#N)c2)C1 ZINC000861354452 683396500 /nfs/dbraw/zinc/39/65/00/683396500.db2.gz VRDNVYBCULYDKB-IUODEOHRSA-N 1 0 357.332 2.238 20 30 FEEDRO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](CCNC(=O)OC(C)(C)C)C2)C1=O ZINC000799358875 683448320 /nfs/dbraw/zinc/44/83/20/683448320.db2.gz OGAFAKJKMJXFBT-HOTGVXAUSA-N 1 0 351.491 2.400 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000921420101 683464007 /nfs/dbraw/zinc/46/40/07/683464007.db2.gz ULHHVPSFENVAMK-UHFFFAOYSA-N 1 0 350.806 2.145 20 30 FEEDRO C[NH+](C)CC[C@H](NS(=O)(=O)c1ccc(C#N)cc1F)c1cccnc1 ZINC000921481380 683481646 /nfs/dbraw/zinc/48/16/46/683481646.db2.gz IOGLIISRNHBYQO-INIZCTEOSA-N 1 0 362.430 2.064 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)[C@@H](c2c(F)cccc2Cl)N(C)C)CC1 ZINC000928655428 683482180 /nfs/dbraw/zinc/48/21/80/683482180.db2.gz REOKFEFDBXEPIA-QGZVFWFLSA-N 1 0 351.853 2.296 20 30 FEEDRO C[NH+](C)CC[C@H](NS(=O)(=O)Cc1ccc(C#N)cc1)c1cccnc1 ZINC000921482102 683482366 /nfs/dbraw/zinc/48/23/66/683482366.db2.gz DEGZFSIORGKDIM-SFHVURJKSA-N 1 0 358.467 2.066 20 30 FEEDRO C=CC[C@@H](CO)[NH2+]Cc1nc(Br)c(Br)n1CC ZINC000921996035 683633452 /nfs/dbraw/zinc/63/34/52/683633452.db2.gz URVKJXRAAHBWCZ-QMMMGPOBSA-N 1 0 367.085 2.455 20 30 FEEDRO N#CC[C@@H](O)C[NH+]1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000929949572 683659477 /nfs/dbraw/zinc/65/94/77/683659477.db2.gz CUYANYCVMITRLX-OAHLLOKOSA-N 1 0 366.259 2.374 20 30 FEEDRO N#Cc1ccc(Br)c(C[NH2+]C[C@@H]2CCCCN2CCO)c1 ZINC000922153498 683670972 /nfs/dbraw/zinc/67/09/72/683670972.db2.gz CTTVTEKGQIQBPY-HNNXBMFYSA-N 1 0 352.276 2.257 20 30 FEEDRO CC(C)NS(=O)(=O)c1ccc(N=NC2CC[N@H+](C)C(C)(C)C2)nc1 ZINC000863078898 683676456 /nfs/dbraw/zinc/67/64/56/683676456.db2.gz PGSHUYVCZXSWNU-UHFFFAOYSA-N 1 0 353.492 2.040 20 30 FEEDRO CCO[C@H](CNC(=O)Nc1cc(C#N)ccc1OC(F)F)C[NH+](C)C ZINC000930179316 683689493 /nfs/dbraw/zinc/68/94/93/683689493.db2.gz BQJAZKYYHCTSJK-GFCCVEGCSA-N 1 0 356.373 2.248 20 30 FEEDRO CCCN(CC(F)(F)F)C(=O)CO[NH+]=C(N)c1ccc(N(C)C)cc1 ZINC000863455238 683730268 /nfs/dbraw/zinc/73/02/68/683730268.db2.gz ACBJBQQYVVANLP-UHFFFAOYSA-N 1 0 360.380 2.190 20 30 FEEDRO N#Cc1ccccc1OC[C@@H](O)C[NH2+]C[C@@H](O)c1c(F)cccc1Cl ZINC000863564052 683742789 /nfs/dbraw/zinc/74/27/89/683742789.db2.gz SPMPABODWSRYLC-XJKSGUPXSA-N 1 0 364.804 2.414 20 30 FEEDRO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000930827524 683789677 /nfs/dbraw/zinc/78/96/77/683789677.db2.gz DRNSUWYQOFOWHB-WCXIOVBPSA-N 1 0 350.507 2.408 20 30 FEEDRO C=C(Cl)C[C@@H]1NC(=O)N([C@H]2CC[N@@H+](CCCOCC)C[C@@H]2C)C1=O ZINC000865304424 683965050 /nfs/dbraw/zinc/96/50/50/683965050.db2.gz VBKZHLNBWMMJGK-QEJZJMRPSA-N 1 0 357.882 2.186 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)c2cnn(C(C)C)c2Br)CC1 ZINC000866016422 684060712 /nfs/dbraw/zinc/06/07/12/684060712.db2.gz ZYDQTINNDKSWNH-UHFFFAOYSA-N 1 0 367.291 2.444 20 30 FEEDRO C[N@H+](CC1CC1)C[C@@H]1CCN(S(=O)(=O)c2cc(F)cc(C#N)c2)C1 ZINC000866903280 684177838 /nfs/dbraw/zinc/17/78/38/684177838.db2.gz JSBYQUKKVBJIIG-AWEZNQCLSA-N 1 0 351.447 2.050 20 30 FEEDRO C[NH2+]C[C@](C)(O)CN1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000923530517 684299991 /nfs/dbraw/zinc/29/99/91/684299991.db2.gz FAGZSFIBWXJEIU-CIUDSAMLSA-N 1 0 370.284 2.060 20 30 FEEDRO C#CC[N@@H+](C)CCCNC(=O)Nc1nnc(-c2ccccc2OC)s1 ZINC000931603064 684311136 /nfs/dbraw/zinc/31/11/36/684311136.db2.gz LKFUXZLSZIAVET-UHFFFAOYSA-N 1 0 359.455 2.290 20 30 FEEDRO C#CCN(C(=O)[C@@H](CC)[NH+](C)C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000923683411 684330006 /nfs/dbraw/zinc/33/00/06/684330006.db2.gz IZNCXXIIGNNEKU-MRXNPFEDSA-N 1 0 351.491 2.188 20 30 FEEDRO N#Cc1cccc(CS(=O)(=O)N2C[C@H](CC[NH3+])Cc3ccccc32)c1 ZINC000923745025 684345346 /nfs/dbraw/zinc/34/53/46/684345346.db2.gz KXCYRNBXUFIKEB-MRXNPFEDSA-N 1 0 355.463 2.416 20 30 FEEDRO N#Cc1cccc([C@@H](NC(=O)N[C@H](C[NH3+])C(F)(F)F)C(F)(F)F)c1 ZINC000868169521 684460353 /nfs/dbraw/zinc/46/03/53/684460353.db2.gz YLZBWUMENWUOTG-NXEZZACHSA-N 1 0 354.254 2.350 20 30 FEEDRO C=C(C)CN(C)C(=O)NCC[NH+]1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000924888460 684503525 /nfs/dbraw/zinc/50/35/25/684503525.db2.gz ZFHBLQXRLMTOBW-UHFFFAOYSA-N 1 0 354.495 2.193 20 30 FEEDRO COCCN(CC1CC[NH+](C)CC1)C(=O)c1ncc(C#N)cc1Cl ZINC000869764165 684652741 /nfs/dbraw/zinc/65/27/41/684652741.db2.gz MZGWNIQOIZIEQW-UHFFFAOYSA-N 1 0 350.850 2.037 20 30 FEEDRO C[NH+](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)O[C@H](C#N)C1CCCCC1 ZINC000869832554 684659993 /nfs/dbraw/zinc/65/99/93/684659993.db2.gz UWVGNNOIAKKCNR-LSDHHAIUSA-N 1 0 353.463 2.457 20 30 FEEDRO CN(CCC#N)C[C@@H](O)C[NH2+][C@@H]1CCCO[C@H]1c1ccc(Cl)cc1 ZINC000872237564 684930640 /nfs/dbraw/zinc/93/06/40/684930640.db2.gz MAUJRKOCOIWISG-KSZLIROESA-N 1 0 351.878 2.356 20 30 FEEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+]CCOC(F)(F)C(F)(F)F)c1 ZINC000872244933 684931476 /nfs/dbraw/zinc/93/14/76/684931476.db2.gz VRDJUYPDRUOVDS-UHFFFAOYSA-N 1 0 372.315 2.093 20 30 FEEDRO COCCN(CC1CC[NH+](C)CC1)C(=O)NCC1(C#N)CCCCC1 ZINC000875744320 686075790 /nfs/dbraw/zinc/07/57/90/686075790.db2.gz AAXKUIYLHCOLDD-UHFFFAOYSA-N 1 0 350.507 2.460 20 30 FEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N(CCC)CC(=O)Nc1ccccc1OC ZINC000876556710 686219280 /nfs/dbraw/zinc/21/92/80/686219280.db2.gz QHPJSQDALFHRIH-CYBMUJFWSA-N 1 0 353.850 2.342 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H](CC(=O)OCC)c1cccc(OC)c1 ZINC000876607820 686227716 /nfs/dbraw/zinc/22/77/16/686227716.db2.gz QRTKGDDAEYMQSS-GJZGRUSLSA-N 1 0 354.834 2.276 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC(C(=O)Nc2ccc(O)cc2)CC1 ZINC000876635981 686233862 /nfs/dbraw/zinc/23/38/62/686233862.db2.gz OZOCRMBJNFMJBN-HNNXBMFYSA-N 1 0 351.834 2.039 20 30 FEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC[C@H](C(=O)Nc2cccc(C)n2)C1 ZINC000876727681 686254249 /nfs/dbraw/zinc/25/42/49/686254249.db2.gz QSMDEVZGWVFAPP-UONOGXRCSA-N 1 0 350.850 2.037 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000876728455 686255339 /nfs/dbraw/zinc/25/53/39/686255339.db2.gz MHRFCXMVJBMNRM-YPMHNXCESA-N 1 0 371.268 2.382 20 30 FEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H](c1ccc(Cl)cc1)N1CCOCC1 ZINC000876741289 686258333 /nfs/dbraw/zinc/25/83/33/686258333.db2.gz QCDBGVWNKYJSKY-HZPDHXFCSA-N 1 0 372.296 2.299 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)Nc1ccc(O[C@H]2CCN(C)C2=O)cc1C ZINC000876899423 686290907 /nfs/dbraw/zinc/29/09/07/686290907.db2.gz XJXKBBNDLMULGW-ZFWWWQNUSA-N 1 0 351.834 2.013 20 30 FEEDRO C#CCNC(=O)C1CC[NH+](C[C@H](O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000878018579 686502422 /nfs/dbraw/zinc/50/24/22/686502422.db2.gz KIOYWMDRWOXMJT-INIZCTEOSA-N 1 0 355.265 2.488 20 30 FEEDRO CO[C@@H]1COCC[C@@H]1[N@H+](C)CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000880430396 687047624 /nfs/dbraw/zinc/04/76/24/687047624.db2.gz MFUHJLKQXHUCIA-JKSUJKDBSA-N 1 0 351.834 2.276 20 30 FEEDRO N#Cc1nc(NC(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)ccc1Br ZINC000883080002 687558827 /nfs/dbraw/zinc/55/88/27/687558827.db2.gz MWUWIUGBYVVAEY-MNOVXSKESA-N 1 0 364.247 2.464 20 30 FEEDRO CN(CC[N@H+](C)C1CC1)C(=O)Nc1ccc(Br)c(C#N)n1 ZINC000883103294 687565415 /nfs/dbraw/zinc/56/54/15/687565415.db2.gz QPNRGUUTONCDEO-UHFFFAOYSA-N 1 0 352.236 2.274 20 30 FEEDRO C=CCC[C@@H]([NH2+]C1CCN(S(=O)(=O)C(F)(F)F)CC1)[C@H]1CCCO1 ZINC000883197855 687586051 /nfs/dbraw/zinc/58/60/51/687586051.db2.gz UXPZMHHERDHSKZ-ZIAGYGMSSA-N 1 0 370.437 2.404 20 30 FEEDRO Cn1cc(C[NH2+]CC[C@@H]2CCCS2(=O)=O)c(-c2ccc(C#N)cc2)n1 ZINC000883298325 687602660 /nfs/dbraw/zinc/60/26/60/687602660.db2.gz OSSMOPZPJBALKG-KRWDZBQOSA-N 1 0 358.467 2.016 20 30 FEEDRO C[C@@H](Cc1nc2ccccc2s1)NC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884108815 687790865 /nfs/dbraw/zinc/79/08/65/687790865.db2.gz MTIFVUQOPQNEHT-PNBPBRNGSA-N 1 0 354.479 2.483 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1C(F)(F)F ZINC000884951630 687972492 /nfs/dbraw/zinc/97/24/92/687972492.db2.gz GUZQBHUWZDYTJA-QWHCGFSZSA-N 1 0 373.400 2.482 20 30 FEEDRO N#Cc1cc(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)ccc1C(F)(F)F ZINC000884957415 687974750 /nfs/dbraw/zinc/97/47/50/687974750.db2.gz PXNFSOQLJDTRKR-OLZOCXBDSA-N 1 0 373.400 2.482 20 30 FEEDRO CC(C)(C)OC(=O)N[C@@H]1C[N@H+](C[C@H](O)CC2(C#N)CCC2)CC[C@H]1F ZINC000886287331 688225305 /nfs/dbraw/zinc/22/53/05/688225305.db2.gz PEPPSNGTGJPNMN-RBSFLKMASA-N 1 0 355.454 2.368 20 30 FEEDRO C#CC[C@H]1CC[N@@H+](CC(=O)N(C)CC(=O)Nc2ccccc2SC)C1 ZINC000886356030 688235484 /nfs/dbraw/zinc/23/54/84/688235484.db2.gz SCKYDXKXWWCQDN-HNNXBMFYSA-N 1 0 359.495 2.151 20 30 FEEDRO C#CCN(C(=O)c1sc(-c2ncccn2)nc1C)C1CC[NH+](C)CC1 ZINC000886583217 688279779 /nfs/dbraw/zinc/27/97/79/688279779.db2.gz GUGLSUIAJZQMDE-UHFFFAOYSA-N 1 0 355.467 2.078 20 30 FEEDRO C#CCSCC(=O)Nc1ccc(OCCCN2CC[NH+](C)CC2)cc1 ZINC000892377325 689188263 /nfs/dbraw/zinc/18/82/63/689188263.db2.gz IHDVBFSOOOTMQG-UHFFFAOYSA-N 1 0 361.511 2.008 20 30 FEEDRO C[C@]1(C#N)CN(C(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)CCO1 ZINC000892512371 689206976 /nfs/dbraw/zinc/20/69/76/689206976.db2.gz RFUVKWQVDPWTNM-YJBOKZPZSA-N 1 0 362.499 2.284 20 30 FEEDRO C=CCS(=O)(=O)CC[NH2+]Cc1ccc(C(=O)OC)cc1C(F)(F)F ZINC000894437181 689532149 /nfs/dbraw/zinc/53/21/49/689532149.db2.gz OBOOKKYVRDISSM-UHFFFAOYSA-N 1 0 365.373 2.182 20 30 FEEDRO Cn1cc(C[NH2+]CC2CCC(C#N)CC2)c(I)n1 ZINC000894659072 689574392 /nfs/dbraw/zinc/57/43/92/689574392.db2.gz ZNLNESZBUJPBPV-UHFFFAOYSA-N 1 0 358.227 2.444 20 30 FEEDRO COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@H]1CCCN(O)C1=O ZINC000895162716 689669652 /nfs/dbraw/zinc/66/96/52/689669652.db2.gz NEQUSCCWOUATJZ-JQWIXIFHSA-N 1 0 355.822 2.036 20 30 FEEDRO C#CCN1CCC(Nc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])CC1 ZINC000895808217 689773897 /nfs/dbraw/zinc/77/38/97/689773897.db2.gz CYCKMPQOVLXKGH-UHFFFAOYSA-N 1 0 373.381 2.101 20 30 FEEDRO C#CCOc1cccc(Cl)c1C[NH2+][C@H]1CCN(c2cc(=O)[nH]cn2)C1 ZINC000898158611 690136124 /nfs/dbraw/zinc/13/61/24/690136124.db2.gz ZYJMQKKIJYSDAX-ZDUSSCGKSA-N 1 0 358.829 2.216 20 30 FEEDRO C[N@H+](CC(=O)NCC(F)(C(F)(F)F)C(F)(F)F)[C@@H]1CCSC1 ZINC000899097197 690303254 /nfs/dbraw/zinc/30/32/54/690303254.db2.gz OVUCSAFMNWNATK-SSDOTTSWSA-N 1 0 356.307 2.373 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)NCC(=O)Nc1ccc(Br)c(C)c1 ZINC000900460507 690519360 /nfs/dbraw/zinc/51/93/60/690519360.db2.gz IRBMBYWWXLNKIO-UHFFFAOYSA-N 1 0 368.275 2.320 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)N1CCC[C@@H](C(=O)N(CC)CC(F)(F)F)C1 ZINC000900857613 690575530 /nfs/dbraw/zinc/57/55/30/690575530.db2.gz DAWNLKTYZHOWSD-CQSZACIVSA-N 1 0 363.424 2.144 20 30 FEEDRO C[C@H]([NH2+]C[C@@H]1CCCC[C@@H]1NS(C)(=O)=O)c1ccc(C#N)cc1F ZINC000903234815 690873829 /nfs/dbraw/zinc/87/38/29/690873829.db2.gz PUEIQKCEOKNMIY-JDFRZJQESA-N 1 0 353.463 2.456 20 30 FEEDRO C#CCN(C(=O)Nc1ccc(OCC[NH+](C)C)c(OC)c1)C1CSC1 ZINC000903296455 690879585 /nfs/dbraw/zinc/87/95/85/690879585.db2.gz IKAJOYROLNQPDO-UHFFFAOYSA-N 1 0 363.483 2.218 20 30 FEEDRO C=CCC[C@H]([NH2+]C[C@]1(OC)CCS(=O)(=O)C1)[C@@H]1Cc2ccccc2O1 ZINC000903364487 690886326 /nfs/dbraw/zinc/88/63/26/690886326.db2.gz XLAZMXVXBTUYNP-YTQUADARSA-N 1 0 365.495 2.118 20 30 FEEDRO C=CCC[C@H]([NH2+][C@H]1CCS(=O)(=O)C2(CC(C(=O)OC)C2)C1)C1CC1 ZINC000903451633 690895171 /nfs/dbraw/zinc/89/51/71/690895171.db2.gz HXSQMPZBKVLOML-LPMVOBIJSA-N 1 0 355.500 2.220 20 30 FEEDRO N#Cc1cc(S(=O)(=O)NCCC[C@H]2CCC[NH2+]2)ccc1Br ZINC000903498600 690901828 /nfs/dbraw/zinc/90/18/28/690901828.db2.gz BMJFOXVSJIRIHB-GFCCVEGCSA-N 1 0 372.288 2.131 20 30 FEEDRO C[NH2+]C[C@@H]1C[C@H](F)CN1S(=O)(=O)c1c(C#N)sc2ccccc21 ZINC000903500452 690902247 /nfs/dbraw/zinc/90/22/47/690902247.db2.gz SQYKICKWGGTWDU-QWRGUYRKSA-N 1 0 353.444 2.093 20 30 FEEDRO Cc1cc(C#N)cc(C)c1CS(=O)(=O)N(CC[NH3+])Cc1ccccc1 ZINC000903517762 690907934 /nfs/dbraw/zinc/90/79/34/690907934.db2.gz KOVOXPILCXJIJL-UHFFFAOYSA-N 1 0 357.479 2.466 20 30 FEEDRO Cc1cc(C#N)cc(C)c1CS(=O)(=O)NCc1ccc(C[NH3+])cc1F ZINC000903522790 690910595 /nfs/dbraw/zinc/91/05/95/690910595.db2.gz SHKYVUJBPMPQDV-UHFFFAOYSA-N 1 0 361.442 2.393 20 30 FEEDRO N#Cc1cc(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@@H]([NH3+])C2)ccc1Cl ZINC000903579304 690928389 /nfs/dbraw/zinc/92/83/89/690928389.db2.gz NFZSRXXZPSUSSZ-JQWIXIFHSA-N 1 0 367.780 2.112 20 30 FEEDRO [NH3+][C@H](CC(F)F)CN1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1 ZINC000903905955 690985115 /nfs/dbraw/zinc/98/51/15/690985115.db2.gz QGHDGUUFQAZOPT-SSDOTTSWSA-N 1 0 359.289 2.487 20 30 FEEDRO COCC[C@H]1C[NH2+]CCN1C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000904476330 691030413 /nfs/dbraw/zinc/03/04/13/691030413.db2.gz QMKAUDDQDJFHBF-ZDUSSCGKSA-N 1 0 367.247 2.163 20 30 FEEDRO C=CCC1(C(=O)N2CCC([NH+](C)C)CC2)CN(C(=O)OC(C)(C)C)C1 ZINC000906625577 691293923 /nfs/dbraw/zinc/29/39/23/691293923.db2.gz SJCOPALYHNVFDY-UHFFFAOYSA-N 1 0 351.491 2.352 20 30 FEEDRO CN(Cc1cc(C#N)cs1)C(=O)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000906708491 691304633 /nfs/dbraw/zinc/30/46/33/691304633.db2.gz FAWJLQVQUKUIFA-JKSUJKDBSA-N 1 0 354.435 2.031 20 30 FEEDRO C#Cc1ccc(S(=O)(=O)N[C@@H]2CC[N@@H+](CCCOCC)C[C@@H]2C)cc1 ZINC000906948058 691351728 /nfs/dbraw/zinc/35/17/28/691351728.db2.gz RBVQHSKVZONUGU-QFBILLFUSA-N 1 0 364.511 2.083 20 30 FEEDRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)S(=O)(=O)CC3(C#N)CC3)C2)s1 ZINC000907344839 691457822 /nfs/dbraw/zinc/45/78/22/691457822.db2.gz GKHCTWGJOCWXBB-OAHLLOKOSA-N 1 0 367.540 2.444 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)N[C@@H](C)Cc1c(OC)cc(OC)cc1OC ZINC000908696014 691715030 /nfs/dbraw/zinc/71/50/30/691715030.db2.gz GUYIJDXTXZBSPG-AWEZNQCLSA-N 1 0 350.459 2.268 20 30 FEEDRO C=CCn1c(-c2cnsn2)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC000908713346 691717111 /nfs/dbraw/zinc/71/71/11/691717111.db2.gz CARXWGSUOSWTTP-UHFFFAOYSA-N 1 0 359.503 2.437 20 30 FEEDRO C[N@@H+]1CCO[C@@H]2CN(c3cnc(Cl)nc3Oc3ccc(C#N)cc3)C[C@@H]21 ZINC001164668966 719482160 /nfs/dbraw/zinc/48/21/60/719482160.db2.gz RUBVNNYFOPXPDX-JKSUJKDBSA-N 1 0 371.828 2.313 20 30 FEEDRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncnc3[nH]cc(C#N)c31)C2 ZINC001164806444 720068789 /nfs/dbraw/zinc/06/87/89/720068789.db2.gz CWKBRTPNZSWADL-UZLBHIALSA-N 1 0 366.469 2.014 20 30 FEEDRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2cc(CC#N)ccn2)CC1 ZINC001164831379 720329321 /nfs/dbraw/zinc/32/93/21/720329321.db2.gz RRBDHNXAZMTHHT-MOPGFXCFSA-N 1 0 367.497 2.059 20 30 FEEDRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2cc(CC#N)ccn2)CC1 ZINC001164831382 720329673 /nfs/dbraw/zinc/32/96/73/720329673.db2.gz RRBDHNXAZMTHHT-RTBURBONSA-N 1 0 367.497 2.059 20 30 FEEDRO C=CCNC(=O)c1cccnc1N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164732048 720436810 /nfs/dbraw/zinc/43/68/10/720436810.db2.gz MWZSBYKIXZFSPI-OALUTQOASA-N 1 0 363.465 2.246 20 30 FEEDRO COCC[N@@H+]1CCO[C@H]2CN(c3nc(Cl)cc(C)c3C#N)CC[C@H]2C1 ZINC001164853264 720835202 /nfs/dbraw/zinc/83/52/02/720835202.db2.gz NRBICQFHCSVNLF-HOCLYGCPSA-N 1 0 364.877 2.089 20 30 FEEDRO COCC[N@@H+]1CCO[C@@H]2CN(c3nccc4ccc(C#N)cc43)CC[C@@H]2C1 ZINC001164850145 720849431 /nfs/dbraw/zinc/84/94/31/720849431.db2.gz DMNDERRXXJBIEQ-UYAOXDASSA-N 1 0 366.465 2.280 20 30 FEEDRO COCC[N@@H+]1CCO[C@H]2CN(c3cc(C#N)c4ccccc4n3)CC[C@@H]2C1 ZINC001164861780 720874659 /nfs/dbraw/zinc/87/46/59/720874659.db2.gz QFVNZQMSECEMHY-UZLBHIALSA-N 1 0 366.465 2.280 20 30 FEEDRO COCC[N@@H+]1CCO[C@H]2CN(c3nc4c(cc3C#N)CCCC4)CC[C@H]2C1 ZINC001164863758 720874818 /nfs/dbraw/zinc/87/48/18/720874818.db2.gz UDPSRJJHPXKTGK-PXNSSMCTSA-N 1 0 370.497 2.006 20 30 FEEDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1ncc([N+](=O)[O-])cc1C#N)[C@@H]2C ZINC001164856192 720950278 /nfs/dbraw/zinc/95/02/78/720950278.db2.gz CHYMADBVLBSPRA-CYBMUJFWSA-N 1 0 369.429 2.479 20 30 FEEDRO N#Cc1c[nH]c2nc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)ccc12 ZINC001164866368 721099461 /nfs/dbraw/zinc/09/94/61/721099461.db2.gz STAWTYBLMWUONA-ROUUACIJSA-N 1 0 374.448 2.309 20 30 FEEDRO Cc1nc(Cl)nc(N2C[C@@H]3C[N@H+](Cc4cnn(C)c4)CC[C@@H]3C2)c1C#N ZINC001164771358 721137496 /nfs/dbraw/zinc/13/74/96/721137496.db2.gz SGXOSKOJZPOGRO-CABCVRRESA-N 1 0 371.876 2.002 20 30 FEEDRO N#Cc1cc(Cl)nnc1N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164900136 721521855 /nfs/dbraw/zinc/52/18/55/721521855.db2.gz OKJFWLDZFXKQOB-GOEBONIOSA-N 1 0 373.819 2.483 20 30 FEEDRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2ncc(Cl)cc2C#N)CC1 ZINC001165010579 721742303 /nfs/dbraw/zinc/74/23/03/721742303.db2.gz OUHPRLRJIHEERI-UHFFFAOYSA-N 1 0 361.877 2.130 20 30 FEEDRO CC(C)(C)OC(=O)[C@H](C#N)c1nccnc1N1CC[NH+](C2CCCC2)CC1 ZINC001165032602 721861164 /nfs/dbraw/zinc/86/11/64/721861164.db2.gz SRQLFMOEQMDTGY-MRXNPFEDSA-N 1 0 371.485 2.490 20 30 FEEDRO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2c1nc(Cl)cc(Cl)c1C#N ZINC001164932884 721887539 /nfs/dbraw/zinc/88/75/39/721887539.db2.gz KEIMEBYVBHIQJO-KGLIPLIRSA-N 1 0 354.285 2.475 20 30 FEEDRO CN(C)[C@@H](C[NH2+]CCS(=O)(=O)c1cccc(C#N)c1)c1cccs1 ZINC000549110894 674017397 /nfs/dbraw/zinc/01/73/97/674017397.db2.gz DRFSHMZWHLPPJO-INIZCTEOSA-N 1 0 363.508 2.286 20 30 FEEDRO C#CCOc1cccc(Cl)c1C[NH2+][C@@H]1CCC[C@@H]1CNS(C)(=O)=O ZINC000800310329 674040996 /nfs/dbraw/zinc/04/09/96/674040996.db2.gz WWTJIITUGMNTBW-CZUORRHYSA-N 1 0 370.902 2.160 20 30 FEEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000012913851 539578646 /nfs/dbraw/zinc/57/86/46/539578646.db2.gz HXPOTGDRSKAKSB-MRXNPFEDSA-N 1 0 372.494 2.277 20 30 FEEDRO COC(=O)c1ccc(C[N@H+](C)C[C@@H](O)COc2ccc(C#N)cc2)cc1 ZINC000026320733 539782718 /nfs/dbraw/zinc/78/27/18/539782718.db2.gz ZRLMPQVNDLMANS-GOSISDBHSA-N 1 0 354.406 2.217 20 30 FEEDRO N#Cc1ccsc1NC(=O)CN1CC[NH+](CCc2ccccc2)CC1 ZINC000027575544 539810384 /nfs/dbraw/zinc/81/03/84/539810384.db2.gz DNUISWFJRSKVAF-UHFFFAOYSA-N 1 0 354.479 2.419 20 30 FEEDRO C[NH+]1CCN(Cc2ccc(NC(=O)COc3ccccc3C#N)cc2)CC1 ZINC000041577001 540025474 /nfs/dbraw/zinc/02/54/74/540025474.db2.gz HYECAMQXPNLPBG-UHFFFAOYSA-N 1 0 364.449 2.323 20 30 FEEDRO COC(=O)c1ccnc(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000042632379 540071229 /nfs/dbraw/zinc/07/12/29/540071229.db2.gz NIEVNSFZOQDZCJ-UHFFFAOYSA-N 1 0 350.422 2.452 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCCOCC1CC1 ZINC000045131272 540204756 /nfs/dbraw/zinc/20/47/56/540204756.db2.gz JWARATDISIHQIW-UHFFFAOYSA-N 1 0 358.486 2.448 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)NCc1nnc2n1CCCC2)C(C)C ZINC000046905574 540276495 /nfs/dbraw/zinc/27/64/95/540276495.db2.gz GMTFINOFJFFQKG-MRXNPFEDSA-N 1 0 360.506 2.112 20 30 FEEDRO N#Cc1cccc(COc2cccc(C[NH2+][C@@H]3CCS(=O)(=O)C3)c2)c1 ZINC000047698474 540325008 /nfs/dbraw/zinc/32/50/08/540325008.db2.gz TWYWOKRWHGDDTG-GOSISDBHSA-N 1 0 356.447 2.414 20 30 FEEDRO COc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000050165200 540401772 /nfs/dbraw/zinc/40/17/72/540401772.db2.gz PZZNQGZDCPSPJS-QGZVFWFLSA-N 1 0 372.469 2.132 20 30 FEEDRO N#CC1(NC(=O)C[N@@H+]2CCC[C@H](C(=O)N3CCCCC3)C2)CCCCC1 ZINC000051557672 540437948 /nfs/dbraw/zinc/43/79/48/540437948.db2.gz YDBZQXMMYPHUAM-KRWDZBQOSA-N 1 0 360.502 2.054 20 30 FEEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc(C#N)cc2)C1 ZINC000054939536 540618024 /nfs/dbraw/zinc/61/80/24/540618024.db2.gz IMXRPHPKWBRCST-BEFAXECRSA-N 1 0 362.433 2.448 20 30 FEEDRO Cc1ccc(C#N)cc1NC(=O)C(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000057675988 540807128 /nfs/dbraw/zinc/80/71/28/540807128.db2.gz NDVMFVKFZJERKH-VLIAUNLRSA-N 1 0 356.470 2.432 20 30 FEEDRO Cc1ccc(C#N)cc1NC(=O)C(=O)N[C@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000057677621 540807823 /nfs/dbraw/zinc/80/78/23/540807823.db2.gz DCHSJRJEJMOOMZ-IJEWVQPXSA-N 1 0 356.470 2.288 20 30 FEEDRO CO/N=C/c1ccc(C(=O)NC2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000058496718 540846240 /nfs/dbraw/zinc/84/62/40/540846240.db2.gz XIYZHPHULHLAHW-HYARGMPZSA-N 1 0 352.438 2.456 20 30 FEEDRO COC(=O)[C@@H](CC(C)C)NC(=O)C[N@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000058397066 540841870 /nfs/dbraw/zinc/84/18/70/540841870.db2.gz LYWMUSIVOWUISU-GOSISDBHSA-N 1 0 359.470 2.473 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)Cc1cc(Cl)c2c(c1)OCCO2 ZINC000064361398 541203165 /nfs/dbraw/zinc/20/31/65/541203165.db2.gz BSJJKTLBSRMQFY-UHFFFAOYSA-N 1 0 365.861 2.348 20 30 FEEDRO C[N@H+](CCNC(=O)c1ccc(-n2ncc(C#N)c2N)cc1)C1CCCCC1 ZINC000066241113 541294681 /nfs/dbraw/zinc/29/46/81/541294681.db2.gz ZCVFCUNWCKAWIF-UHFFFAOYSA-N 1 0 366.469 2.320 20 30 FEEDRO C[C@@H]1CN(C2CC[NH+](CCC(=O)Nc3ccc(C#N)cc3)CC2)CCO1 ZINC000066562057 541335708 /nfs/dbraw/zinc/33/57/08/541335708.db2.gz RYQQTSVEVMAHKC-MRXNPFEDSA-N 1 0 356.470 2.072 20 30 FEEDRO CCOc1ccc(C#N)cc1NC(=O)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000067321461 541444375 /nfs/dbraw/zinc/44/43/75/541444375.db2.gz VVBRDBKCSZCZPA-UHFFFAOYSA-N 1 0 372.469 2.276 20 30 FEEDRO CCOc1ccc(C#N)cc1NC(=O)C(=O)NCC[NH+](C(C)C)C(C)C ZINC000067320462 541444430 /nfs/dbraw/zinc/44/44/30/541444430.db2.gz UJRYVIJORIVXKZ-UHFFFAOYSA-N 1 0 360.458 2.130 20 30 FEEDRO N#Cc1cccnc1N1CCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000067387546 541453327 /nfs/dbraw/zinc/45/33/27/541453327.db2.gz QAMSJPCJRPOOHB-UHFFFAOYSA-N 1 0 367.409 2.453 20 30 FEEDRO CCCC[N@H+](CCC(=O)Nc1ccccc1C#N)[C@H]1CCS(=O)(=O)C1 ZINC000067399959 541457539 /nfs/dbraw/zinc/45/75/39/541457539.db2.gz DMDMNCILZPUDRE-INIZCTEOSA-N 1 0 363.483 2.176 20 30 FEEDRO Cc1cccc(OC[C@H](O)C[N@@H+]2CCCN(c3ncccc3C#N)CC2)c1 ZINC000067460047 541467089 /nfs/dbraw/zinc/46/70/89/541467089.db2.gz UIVMVXDBVXOYSA-LJQANCHMSA-N 1 0 366.465 2.214 20 30 FEEDRO CCOc1ccc(C#N)cc1NC(=O)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000067549780 541479247 /nfs/dbraw/zinc/47/92/47/541479247.db2.gz JXVADEPNDBVFQL-INIZCTEOSA-N 1 0 360.458 2.171 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N[C@H](c2nc(-c3ccncc3)no2)C(C)C)CC1 ZINC000067994928 541536611 /nfs/dbraw/zinc/53/66/11/541536611.db2.gz LZRXISQZNWHQOD-KRWDZBQOSA-N 1 0 367.453 2.290 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N=c2cc(C)n([C@H](C)C3CC3)[nH]2)CC1 ZINC000543259970 541561489 /nfs/dbraw/zinc/56/14/89/541561489.db2.gz DNPWJLAZBNJXLF-OAHLLOKOSA-N 1 0 373.501 2.258 20 30 FEEDRO CCC(=O)N1CCC[C@@H](C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)C1 ZINC000068310046 541575011 /nfs/dbraw/zinc/57/50/11/541575011.db2.gz OWNUXBRDFIHKKE-LJQANCHMSA-N 1 0 370.497 2.097 20 30 FEEDRO CN(C1CC[NH+](CCc2ccncc2)CC1)S(=O)(=O)CCCCC#N ZINC000068907547 541640341 /nfs/dbraw/zinc/64/03/41/541640341.db2.gz HVKKDANWKQKKSO-UHFFFAOYSA-N 1 0 364.515 2.044 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CCC[C@@]2(CNC(=O)C2)C1 ZINC000072831962 541875619 /nfs/dbraw/zinc/87/56/19/541875619.db2.gz YMMMDAOSWPSXHW-DNVCBOLYSA-N 1 0 361.511 2.253 20 30 FEEDRO CCOc1ccc(C#N)cc1NC(=O)C(=O)NCC[N@@H+]1CCCC[C@@H]1CC ZINC000072855690 541881928 /nfs/dbraw/zinc/88/19/28/541881928.db2.gz CCVMSVVOOZKBNW-INIZCTEOSA-N 1 0 372.469 2.276 20 30 FEEDRO Cc1cccc(N2CC[NH+](CCC(=O)Nc3ccn(CCC#N)n3)CC2)c1 ZINC000073797278 542001315 /nfs/dbraw/zinc/00/13/15/542001315.db2.gz XTAPPQGIEAPNEE-UHFFFAOYSA-N 1 0 366.469 2.256 20 30 FEEDRO CC(C)[NH+]=C(NC[C@H]1CCS(=O)(=O)C1)N[C@@H](C)c1ccc(F)c(F)c1 ZINC000074718000 542114799 /nfs/dbraw/zinc/11/47/99/542114799.db2.gz IWFIIDZWVYJTCW-QWHCGFSZSA-N 1 0 373.469 2.404 20 30 FEEDRO CCCC[NH+]1CCC(NC(=O)C(=O)Nc2cc(C#N)ccc2OCC)CC1 ZINC000076334201 542262046 /nfs/dbraw/zinc/26/20/46/542262046.db2.gz QXTULUVRMXOZFG-UHFFFAOYSA-N 1 0 372.469 2.276 20 30 FEEDRO N#Cc1ccc(NC(=O)CC[N@H+]2CCCN(CC(F)(F)F)CC2)cc1 ZINC000076398043 542273849 /nfs/dbraw/zinc/27/38/49/542273849.db2.gz UXLGKJWFENLLJB-UHFFFAOYSA-N 1 0 354.376 2.457 20 30 FEEDRO C=CCCC[C@H](C)NC(=O)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000551388398 674142473 /nfs/dbraw/zinc/14/24/73/674142473.db2.gz AUYQTVRFGILRTC-INIZCTEOSA-N 1 0 367.559 2.325 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cc(NC(=O)CC)ccc2C)CC1 ZINC000076526151 542288936 /nfs/dbraw/zinc/28/89/36/542288936.db2.gz BYYKTCDSOSSAMK-UHFFFAOYSA-N 1 0 372.469 2.049 20 30 FEEDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2OC(C)C)C1 ZINC000076672132 542311475 /nfs/dbraw/zinc/31/14/75/542311475.db2.gz XIQVFDHNPCFHCG-INIZCTEOSA-N 1 0 372.469 2.084 20 30 FEEDRO COc1ccc(C#N)cc1NC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000077438093 542381903 /nfs/dbraw/zinc/38/19/03/542381903.db2.gz WIUSKTZFWMALNW-HNNXBMFYSA-N 1 0 358.442 2.189 20 30 FEEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000801951220 674156482 /nfs/dbraw/zinc/15/64/82/674156482.db2.gz SMGYKSBZRVLPRD-SJLPKXTDSA-N 1 0 351.853 2.342 20 30 FEEDRO N#CCSc1cccc(C(=O)N2CC[NH+](CC3CCOCC3)CC2)c1 ZINC000079524009 542524228 /nfs/dbraw/zinc/52/42/28/542524228.db2.gz JXBQHOYLDKPQJU-UHFFFAOYSA-N 1 0 359.495 2.487 20 30 FEEDRO C=C(C)CN(CC)C(=O)C[NH+]1CCC(C(=O)Nc2ccc(C)cn2)CC1 ZINC000079895590 542548758 /nfs/dbraw/zinc/54/87/58/542548758.db2.gz OITBWFDDOMAQCS-UHFFFAOYSA-N 1 0 358.486 2.465 20 30 FEEDRO N#Cc1ccc(N2CCN(C(=O)[C@@H]3C[C@H]4CCCC[N@@H+]4C3)CC2)c(F)c1 ZINC000080621876 542598162 /nfs/dbraw/zinc/59/81/62/542598162.db2.gz UKCXJGMYWXOETL-IAGOWNOFSA-N 1 0 356.445 2.220 20 30 FEEDRO N#C[C@H](c1ccccc1)N1CCN(C(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC000081120628 542634159 /nfs/dbraw/zinc/63/41/59/542634159.db2.gz PPDJMVVCUYXAOF-SLFFLAALSA-N 1 0 352.482 2.270 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N(C)CCCOc2cc(OC)cc(OC)c2)CC1 ZINC000084813615 542721042 /nfs/dbraw/zinc/72/10/42/542721042.db2.gz WJALBRWLBJUUAJ-UHFFFAOYSA-N 1 0 374.481 2.276 20 30 FEEDRO N#Cc1ccc(-c2nnc(CN3CCC[C@H]3C[N@H+]3CCC[C@@H]3CO)o2)cc1 ZINC000085856835 542733389 /nfs/dbraw/zinc/73/33/89/542733389.db2.gz OFXHGBDXJJTHNU-ZWKOTPCHSA-N 1 0 367.453 2.029 20 30 FEEDRO CC[C@@H](Oc1ccccc1F)C(=O)Nc1n[nH]c(CCC[NH2+]C)c1C#N ZINC000089677871 542768321 /nfs/dbraw/zinc/76/83/21/542768321.db2.gz HOVBPAYGXFDGJV-OAHLLOKOSA-N 1 0 359.405 2.369 20 30 FEEDRO C[NH+](C)CCOc1cccc(CNC(=O)Cc2cccc(OCC#N)c2)c1 ZINC000089757506 542769663 /nfs/dbraw/zinc/76/96/63/542769663.db2.gz YHONSXRMSXOLRY-UHFFFAOYSA-N 1 0 367.449 2.388 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCN(c3ncccc3F)CC2)CC1 ZINC000090561528 542786440 /nfs/dbraw/zinc/78/64/40/542786440.db2.gz HIPMMDGQBFGWPP-UHFFFAOYSA-N 1 0 361.465 2.093 20 30 FEEDRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1nn(C(C)C)cc1C#N ZINC000091229320 542799985 /nfs/dbraw/zinc/79/99/85/542799985.db2.gz UQQQYTFEZPSXPZ-MRXNPFEDSA-N 1 0 374.489 2.045 20 30 FEEDRO CC[NH+](CC)CCn1ccc2cc(NC(=O)C(=O)NC[C@@H](C)C#N)ccc21 ZINC000091282151 542804054 /nfs/dbraw/zinc/80/40/54/542804054.db2.gz PYKYJKSFXRFPOG-HNNXBMFYSA-N 1 0 369.469 2.197 20 30 FEEDRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(Cc2cnc3ccc(C#N)cn23)CC1 ZINC000092665068 542879725 /nfs/dbraw/zinc/87/97/25/542879725.db2.gz ZBYFCKQZPBBGAP-ROUUACIJSA-N 1 0 366.513 2.196 20 30 FEEDRO N#CCCCOc1cccc(CN2CCN(C(=O)C[NH+]3CCCC3)CC2)c1 ZINC000093046716 542905206 /nfs/dbraw/zinc/90/52/06/542905206.db2.gz KOYQWMAEJJCHQT-UHFFFAOYSA-N 1 0 370.497 2.109 20 30 FEEDRO CC[C@@H](CO)[NH+]1CCN(Cc2cn(CCC#N)nc2-c2ccccc2)CC1 ZINC000093739787 542939666 /nfs/dbraw/zinc/93/96/66/542939666.db2.gz LDDZGKZBBVYHHL-FQEVSTJZSA-N 1 0 367.497 2.352 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1n[nH]c2c1CCCC2 ZINC000097682304 543014662 /nfs/dbraw/zinc/01/46/62/543014662.db2.gz CULKMICIIBHDID-UHFFFAOYSA-N 1 0 351.454 2.364 20 30 FEEDRO Cc1ccc([C@@H](CNC(=O)C(=O)Nc2ccc(F)c(C#N)c2)[NH+](C)C)cc1 ZINC000102964368 543086810 /nfs/dbraw/zinc/08/68/10/543086810.db2.gz CKNWDKDZHFVXKL-GOSISDBHSA-N 1 0 368.412 2.363 20 30 FEEDRO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2C[C@@H](C(N)=O)CC[C@@H]2C)c1C ZINC000103284094 543101075 /nfs/dbraw/zinc/10/10/75/543101075.db2.gz XKHARMZCLFAWAU-RDJZCZTQSA-N 1 0 356.470 2.136 20 30 FEEDRO C[C@H](CNC(=O)N1CCN(c2ccc(C#N)cc2F)CC1)[N@H+](C)C1CC1 ZINC000105264454 543167811 /nfs/dbraw/zinc/16/78/11/543167811.db2.gz WSKSPCTXTAJNIB-CQSZACIVSA-N 1 0 359.449 2.012 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)CC1 ZINC000106036928 543185975 /nfs/dbraw/zinc/18/59/75/543185975.db2.gz RWWGGGYPKCZMEK-MRXNPFEDSA-N 1 0 371.481 2.205 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@H](C)N2C(=O)c3ccc(C)cc3C2=O)CC1 ZINC000106037046 543186189 /nfs/dbraw/zinc/18/61/89/543186189.db2.gz ZXSWUSQIXYCFFC-HNNXBMFYSA-N 1 0 369.465 2.136 20 30 FEEDRO COc1ccc(C[NH2+]C[C@@H]2CN(C3CC3)CCO2)cc1OCCCC#N ZINC000106379790 543226789 /nfs/dbraw/zinc/22/67/89/543226789.db2.gz BOOYDCQCFAVSOG-GOSISDBHSA-N 1 0 359.470 2.331 20 30 FEEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000106582292 543239803 /nfs/dbraw/zinc/23/98/03/543239803.db2.gz HBRVKXFYJMMIPT-HNNXBMFYSA-N 1 0 359.474 2.103 20 30 FEEDRO C=CCOc1ccc(C(=O)N2CC[C@@H](N3CC[NH+](CC)CC3)C2)cc1OC ZINC000106808032 543248876 /nfs/dbraw/zinc/24/88/76/543248876.db2.gz PMZQMEAGUKGAGV-GOSISDBHSA-N 1 0 373.497 2.112 20 30 FEEDRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)NCc2ccc(C#N)cc2F)CC1 ZINC000108575807 543295297 /nfs/dbraw/zinc/29/52/97/543295297.db2.gz QOEGVUOVMNFNFV-GOSISDBHSA-N 1 0 373.476 2.009 20 30 FEEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CCN(C2CC2)CC1 ZINC000109035706 543311720 /nfs/dbraw/zinc/31/17/20/543311720.db2.gz HBJMCWFSFFGEES-CQSZACIVSA-N 1 0 372.494 2.326 20 30 FEEDRO N#CC1(C(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)CCOCC1 ZINC000109143106 543315566 /nfs/dbraw/zinc/31/55/66/543315566.db2.gz DUBJHNZNBUHPOJ-UHFFFAOYSA-N 1 0 355.482 2.474 20 30 FEEDRO CN1CC[NH+](CC2CCN(C(=O)/C=C/c3cccc(C#N)c3)CC2)CC1 ZINC000110845424 543369999 /nfs/dbraw/zinc/36/99/99/543369999.db2.gz LKYDEKBYRMSXDJ-AATRIKPKSA-N 1 0 352.482 2.057 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cc(I)c[nH]2)CC1 ZINC000115372831 543562739 /nfs/dbraw/zinc/56/27/39/543562739.db2.gz AGPKLBAQSLJKIV-UHFFFAOYSA-N 1 0 373.238 2.390 20 30 FEEDRO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1cccc(C#N)c1)c1ccc(F)cc1 ZINC000118092490 543644746 /nfs/dbraw/zinc/64/47/46/543644746.db2.gz IVQNRQLHLHNHKT-QGZVFWFLSA-N 1 0 354.385 2.055 20 30 FEEDRO CC(C)[N@@H+](C)CCNC(=O)C(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000118122186 543646589 /nfs/dbraw/zinc/64/65/89/543646589.db2.gz PTBFOERHMSACMT-AWEZNQCLSA-N 1 0 362.499 2.476 20 30 FEEDRO C=CCCCN(C)CC(=O)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1 ZINC000121098763 543689392 /nfs/dbraw/zinc/68/93/92/543689392.db2.gz FVIAWMSDSDXWBJ-HNNXBMFYSA-N 1 0 370.540 2.162 20 30 FEEDRO C=CCN(C)CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 ZINC000121514485 543695566 /nfs/dbraw/zinc/69/55/66/543695566.db2.gz OOOCKFRRSBXYMI-OAHLLOKOSA-N 1 0 356.470 2.474 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CCN(c3ncccc3F)C2)CC1 ZINC000119128555 543664336 /nfs/dbraw/zinc/66/43/36/543664336.db2.gz NQAPMKMYRZQGKJ-INIZCTEOSA-N 1 0 361.465 2.139 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCN(c2ncccn2)CC1)C(C)C ZINC000119709968 543671385 /nfs/dbraw/zinc/67/13/85/543671385.db2.gz ACXLFQWTFQMFLN-SFHVURJKSA-N 1 0 372.517 2.007 20 30 FEEDRO CCOC(=O)CC1CC[NH+](C[C@@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000120051500 543674789 /nfs/dbraw/zinc/67/47/89/543674789.db2.gz PAJVEGHITSCBPS-GOSISDBHSA-N 1 0 360.454 2.158 20 30 FEEDRO C[C@@H]1C[C@@H](N(C)C(=O)C(=O)Nc2cccc(OCCCC#N)c2)CC[N@@H+]1C ZINC000120551372 543681679 /nfs/dbraw/zinc/68/16/79/543681679.db2.gz KKSPADLPURQOSF-WBVHZDCISA-N 1 0 372.469 2.249 20 30 FEEDRO C[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccc(C#N)cc2)C[N@@H+]1Cc1ccccc1 ZINC000122916326 543731754 /nfs/dbraw/zinc/73/17/54/543731754.db2.gz HIQMVCCTWFCYST-BEFAXECRSA-N 1 0 362.433 2.276 20 30 FEEDRO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000122985745 543735641 /nfs/dbraw/zinc/73/56/41/543735641.db2.gz PBRHPLSUSVVISJ-LSDHHAIUSA-N 1 0 353.875 2.459 20 30 FEEDRO C=CCOc1ccccc1CN1CCN(CC(=O)Nc2cc(C)on2)CC1 ZINC000123132542 543744500 /nfs/dbraw/zinc/74/45/00/543744500.db2.gz DFRSRFKJUGWWQT-UHFFFAOYSA-N 1 0 370.453 2.304 20 30 FEEDRO N#Cc1ccc2ncc(C[NH2+]CCNC(=O)c3ccccc3Cl)n2c1 ZINC000123755391 543781274 /nfs/dbraw/zinc/78/12/74/543781274.db2.gz SCGYEEVQZYYVGV-UHFFFAOYSA-N 1 0 353.813 2.379 20 30 FEEDRO N#Cc1cc(F)ccc1S(=O)(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000123338824 543756431 /nfs/dbraw/zinc/75/64/31/543756431.db2.gz VVHVAERAVQJGFY-INIZCTEOSA-N 1 0 351.447 2.240 20 30 FEEDRO C#CCSCCNC(=O)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000123557812 543769349 /nfs/dbraw/zinc/76/93/49/543769349.db2.gz QQTXKWFSHDLSKU-UHFFFAOYSA-N 1 0 359.495 2.094 20 30 FEEDRO Cn1cc(C(=O)NCC2CC[NH+](CC#Cc3ccc(F)cc3)CC2)cn1 ZINC000127223568 543979308 /nfs/dbraw/zinc/97/93/08/543979308.db2.gz REUIHAPISMMEFK-UHFFFAOYSA-N 1 0 354.429 2.053 20 30 FEEDRO N#CC1(c2ccccc2)CC([NH2+][C@@H](CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000126972745 543966290 /nfs/dbraw/zinc/96/62/90/543966290.db2.gz FEQDPLZCWFCBAG-RTRUNKLESA-N 1 0 367.405 2.203 20 30 FEEDRO CCc1nsc(N2CCC[N@H+](C[C@H](O)c3ccc(C#N)cc3)CC2)n1 ZINC000127548475 543999564 /nfs/dbraw/zinc/99/95/64/543999564.db2.gz BJQQHTRUABVWCZ-INIZCTEOSA-N 1 0 357.483 2.218 20 30 FEEDRO C[NH+]=C(NC[C@@H]1CCOc2ccccc21)N[C@@H]1CCCn2nc(C)nc21 ZINC000129334682 544106134 /nfs/dbraw/zinc/10/61/34/544106134.db2.gz IEAAEULJBCJUQT-GOEBONIOSA-N 1 0 354.458 2.153 20 30 FEEDRO N#Cc1ccc(OC[C@H](O)C[NH2+]CCN2CCc3sccc3C2)cc1 ZINC000552226478 674195976 /nfs/dbraw/zinc/19/59/76/674195976.db2.gz CTWYXUPPCPAIMD-QGZVFWFLSA-N 1 0 357.479 2.007 20 30 FEEDRO N#Cc1cccc(NC(=O)CC[NH+]2CCC(OC[C@@H]3CCOC3)CC2)c1 ZINC000131871037 544209843 /nfs/dbraw/zinc/20/98/43/544209843.db2.gz MXVZFQTVVFWEOR-QGZVFWFLSA-N 1 0 357.454 2.404 20 30 FEEDRO C[C@@H](NC(=O)C(=O)Nc1cccc(OCCCC#N)c1)C(C)(C)C[NH+](C)C ZINC000133181427 544259408 /nfs/dbraw/zinc/25/94/08/544259408.db2.gz OCIJCSAFWRXNHS-OAHLLOKOSA-N 1 0 374.485 2.400 20 30 FEEDRO N#Cc1c2c(sc1NC(=O)CCN1CC(=O)N[C@@H]3CCCC[C@H]31)CCC2 ZINC000133441894 544270174 /nfs/dbraw/zinc/27/01/74/544270174.db2.gz PSUGVWMMAZZDEN-HUUCEWRRSA-N 1 0 372.494 2.180 20 30 FEEDRO COc1ccccc1CNC(=[NH2+])NCc1cccc(-c2n[nH]c(C)n2)c1 ZINC000134234084 544299481 /nfs/dbraw/zinc/29/94/81/544299481.db2.gz OUOAINBHOIRAND-UHFFFAOYSA-N 1 0 350.426 2.393 20 30 FEEDRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(Cc2ccccc2C(C)(C)C#N)CC1 ZINC000135293762 544340391 /nfs/dbraw/zinc/34/03/91/544340391.db2.gz JOYXLYDDUMAOLE-IBGZPJMESA-N 1 0 354.498 2.226 20 30 FEEDRO CCC[C@@H](C)[C@@H]1CCC[N@@H+]1CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 ZINC000135344968 544342965 /nfs/dbraw/zinc/34/29/65/544342965.db2.gz QFVMOHCLSWAJJF-QAPCUYQASA-N 1 0 373.501 2.404 20 30 FEEDRO CCC[C@@H](C)[C@H]1CCC[N@@H+]1CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 ZINC000135345010 544343317 /nfs/dbraw/zinc/34/33/17/544343317.db2.gz QFVMOHCLSWAJJF-CRAIPNDOSA-N 1 0 373.501 2.404 20 30 FEEDRO Cn1ncc2c1CCC[C@@H]2[N@H+](C)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000135611923 544356035 /nfs/dbraw/zinc/35/60/35/544356035.db2.gz JZOISMITCISKMQ-LPHOPBHVSA-N 1 0 354.454 2.235 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N[C@H](Cc2ccccc2)C(=O)OC(C)(C)C)CC1 ZINC000150996873 544494739 /nfs/dbraw/zinc/49/47/39/544494739.db2.gz AIICSGJFZAHOSB-LJQANCHMSA-N 1 0 370.493 2.401 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)NCCC[N@@H+]2CCc3ccccc3C2)c(F)c1 ZINC000151056462 544500388 /nfs/dbraw/zinc/50/03/88/544500388.db2.gz IWNUZCUTWCANMP-UHFFFAOYSA-N 1 0 373.453 2.424 20 30 FEEDRO C[C@H]1C[C@@H](NC(=O)C(=O)Nc2cccc(OCCCC#N)c2)C[N@@H+]1C1CC1 ZINC000151794612 544581290 /nfs/dbraw/zinc/58/12/90/544581290.db2.gz ALOYNEDUMLPWRP-GOEBONIOSA-N 1 0 370.453 2.049 20 30 FEEDRO C#CCSCCNC(=O)NCC1CCN(Cc2csc(C)n2)CC1 ZINC000154256171 544882069 /nfs/dbraw/zinc/88/20/69/544882069.db2.gz MCZLIVIUIUDBHF-UHFFFAOYSA-N 1 0 366.556 2.329 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)Nc1ccc(C)nc1C)C(C)C ZINC000154543681 544919904 /nfs/dbraw/zinc/91/99/04/544919904.db2.gz RLMPDMRGKKAGEV-GOSISDBHSA-N 1 0 358.486 2.452 20 30 FEEDRO CCN1CCC[C@H](NS(=O)(=O)c2cc(Br)cc(C#N)c2)C1 ZINC000155139852 544994469 /nfs/dbraw/zinc/99/44/69/544994469.db2.gz FTTYYTSJIAGBTL-ZDUSSCGKSA-N 1 0 372.288 2.083 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000552773210 674224171 /nfs/dbraw/zinc/22/41/71/674224171.db2.gz NVWZPMCLFAXVIA-UHFFFAOYSA-N 1 0 363.527 2.499 20 30 FEEDRO CC(C)[NH+]1CCC(NC(=O)COC(=O)c2cc(C#N)ccc2Cl)CC1 ZINC000803834661 674262682 /nfs/dbraw/zinc/26/26/82/674262682.db2.gz NEWDAXOWAAWAOO-UHFFFAOYSA-N 1 0 363.845 2.357 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)NCC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000180199478 327675728 /nfs/dbraw/zinc/67/57/28/327675728.db2.gz DJXKMMOZNRHRMA-UHFFFAOYSA-N 1 0 356.451 2.148 20 30 FEEDRO N#Cc1ccccc1OCC(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000180314002 327680984 /nfs/dbraw/zinc/68/09/84/327680984.db2.gz JXXQOYWHMHWGBY-UHFFFAOYSA-N 1 0 371.481 2.288 20 30 FEEDRO CCOC(=O)C1CCN(C(=O)C[C@@H](C)[NH2+]Cc2cccc(C#N)c2)CC1 ZINC000183409434 327815913 /nfs/dbraw/zinc/81/59/13/327815913.db2.gz ZGLAMTMLVKLSFK-OAHLLOKOSA-N 1 0 357.454 2.228 20 30 FEEDRO CC(C)[C@@H]([NH2+]CCCOc1ccc(C#N)cc1)c1nc(-c2nc[nH]n2)no1 ZINC000184860182 327886059 /nfs/dbraw/zinc/88/60/59/327886059.db2.gz XQBQVZXSJHZDTD-OAHLLOKOSA-N 1 0 367.413 2.482 20 30 FEEDRO N#Cc1ccc(C[NH2+][C@H](Cc2ccccc2)C(=O)N2CCOCC2)s1 ZINC000185161558 327903258 /nfs/dbraw/zinc/90/32/58/327903258.db2.gz IWSOPESXORCSQC-GOSISDBHSA-N 1 0 355.463 2.179 20 30 FEEDRO CC(C)(C)OC(=O)NC[C@@H]([NH2+]CC(=O)Nc1sccc1C#N)C1CC1 ZINC000185216992 327906489 /nfs/dbraw/zinc/90/64/89/327906489.db2.gz AKWXWJUQLAVCAJ-CYBMUJFWSA-N 1 0 364.471 2.451 20 30 FEEDRO C[C@@H]1CN(C(=O)C(C)(C)Oc2ccc(C#N)cc2)CC[N@@H+]1CC(C)(C)O ZINC000188638482 328100381 /nfs/dbraw/zinc/10/03/81/328100381.db2.gz OHKRTVWSLWXCMZ-OAHLLOKOSA-N 1 0 359.470 2.019 20 30 FEEDRO Cc1nc(C#N)c(N2CCC(C(=O)NC[C@H](C)[NH+]3CCC(C)CC3)CC2)o1 ZINC000189268182 328138101 /nfs/dbraw/zinc/13/81/01/328138101.db2.gz ZWRSWABSUYZICC-HNNXBMFYSA-N 1 0 373.501 2.308 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cn2ccnc2s1 ZINC000190720967 328227678 /nfs/dbraw/zinc/22/76/78/328227678.db2.gz MGNDQTIVVKABIV-UHFFFAOYSA-N 1 0 353.451 2.471 20 30 FEEDRO Cn1cc(C[NH2+]CCNC(=O)c2cccc(Br)c2)cc1C#N ZINC000191040659 328246912 /nfs/dbraw/zinc/24/69/12/328246912.db2.gz AABBOBYALCEEBG-UHFFFAOYSA-N 1 0 361.243 2.179 20 30 FEEDRO C[C@@H](NC(=O)C(=O)Nc1ccc(F)cc1C#N)[C@@H](c1ccccc1)[NH+](C)C ZINC000191246288 328256220 /nfs/dbraw/zinc/25/62/20/328256220.db2.gz VCJCVUDRHAOMHB-ACJLOTCBSA-N 1 0 368.412 2.443 20 30 FEEDRO COc1ccnc(NC2CC[NH+](Cc3ccc(OC)c(C#N)c3)CC2)n1 ZINC000191689767 328277365 /nfs/dbraw/zinc/27/73/65/328277365.db2.gz INVUXQJKYZTTDT-UHFFFAOYSA-N 1 0 353.426 2.442 20 30 FEEDRO CCCC[C@H]1CCC[C@H]1[NH2+]CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 ZINC000191831148 328284151 /nfs/dbraw/zinc/28/41/51/328284151.db2.gz NJZBSJXCVDMQNG-DLBZAZTESA-N 1 0 373.501 2.452 20 30 FEEDRO Cc1cccn2c(C[NH2+][C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)cnc12 ZINC000192244324 328308704 /nfs/dbraw/zinc/30/87/04/328308704.db2.gz WVWCVVUDNWDVDM-LJQANCHMSA-N 1 0 359.433 2.405 20 30 FEEDRO C[C@H]1C[NH+](Cc2ccc(CNC(=O)c3ccnc(C#N)c3)cc2)C[C@H](C)O1 ZINC000192651418 328330951 /nfs/dbraw/zinc/33/09/51/328330951.db2.gz ODRKMROSIRIERN-HOTGVXAUSA-N 1 0 364.449 2.492 20 30 FEEDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000193466399 328377102 /nfs/dbraw/zinc/37/71/02/328377102.db2.gz HKMUNPHNPNHJKC-CVEARBPZSA-N 1 0 371.485 2.138 20 30 FEEDRO CC(C)(C)OC(=O)N1C[C@@H]2C[N@@H+](C[C@H](O)c3ccc(C#N)cc3)C[C@@H]2C1 ZINC000193488207 328378160 /nfs/dbraw/zinc/37/81/60/328378160.db2.gz XBENULRQLRFNLX-KSZLIROESA-N 1 0 357.454 2.390 20 30 FEEDRO CC(C)C[C@@H](CNC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1)[NH+](C)C ZINC000041323338 324506471 /nfs/dbraw/zinc/50/64/71/324506471.db2.gz URHFAHOMZBUNBW-AWEZNQCLSA-N 1 0 350.850 2.243 20 30 FEEDRO CC(C)[N@H+]1[C@@H]2CC[C@H]1CCN(CCS(=O)(=O)c1ccc(C#N)cc1)C2 ZINC000081541159 325182356 /nfs/dbraw/zinc/18/23/56/325182356.db2.gz HIVQBDFSOZAQQG-ZWKOTPCHSA-N 1 0 361.511 2.279 20 30 FEEDRO COc1cccc([C@H](CNC(=O)c2cc(C#N)cn2C)[NH+]2CCCC2)c1 ZINC000081566219 325184289 /nfs/dbraw/zinc/18/42/89/325184289.db2.gz PMEVXPRGLJLQLW-IBGZPJMESA-N 1 0 352.438 2.472 20 30 FEEDRO Cc1nc(C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)ccc1C#N ZINC000081667902 325192077 /nfs/dbraw/zinc/19/20/77/325192077.db2.gz IOFUFROCZLRPOE-UHFFFAOYSA-N 1 0 356.470 2.274 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)NCCC[NH+]2CCCC2)cc1C(F)(F)F ZINC000083537113 325218976 /nfs/dbraw/zinc/21/89/76/325218976.db2.gz MQISUVIFVNMYIQ-UHFFFAOYSA-N 1 0 361.389 2.341 20 30 FEEDRO CC(C)C[C@@H](C[NH+](C)C)NC(=O)C(=O)Nc1cc(C#N)ccc1Cl ZINC000088771020 325300867 /nfs/dbraw/zinc/30/08/67/325300867.db2.gz XOBAKWVBKFUJNG-ZDUSSCGKSA-N 1 0 350.850 2.243 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)NCC[C@@H]2CCC[NH2+]C2)cc1C(F)(F)F ZINC000237833139 328530492 /nfs/dbraw/zinc/53/04/92/328530492.db2.gz STBCZLURJUJKCG-NSHDSACASA-N 1 0 361.389 2.245 20 30 FEEDRO Cc1cccc(NC(=O)[C@H](C)[N@H+](C)CCCc2[nH]nc(N)c2C#N)c1C ZINC000089942464 325343664 /nfs/dbraw/zinc/34/36/64/325343664.db2.gz ZEXXUJNCUIHHQH-AWEZNQCLSA-N 1 0 354.458 2.372 20 30 FEEDRO C[NH+]1CCC(CCNC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)CC1 ZINC000103321089 325515003 /nfs/dbraw/zinc/51/50/03/325515003.db2.gz WFTMPQPNJLOQPC-UHFFFAOYSA-N 1 0 373.476 2.261 20 30 FEEDRO CC[C@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 ZINC000118986713 326115620 /nfs/dbraw/zinc/11/56/20/326115620.db2.gz MCJCBJXLQYVQCT-JKSUJKDBSA-N 1 0 359.474 2.062 20 30 FEEDRO CCOC(=O)CCCNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000119727965 326192235 /nfs/dbraw/zinc/19/22/35/326192235.db2.gz NIDXJZXQKCZGGJ-UHFFFAOYSA-N 1 0 372.469 2.119 20 30 FEEDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)Nc3ccc(Cl)c(C#N)c3)CC[C@@H]21 ZINC000120608430 326272634 /nfs/dbraw/zinc/27/26/34/326272634.db2.gz SOPPKQYNQGPRJN-WBMJQRKESA-N 1 0 360.845 2.093 20 30 FEEDRO N#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@H]2C(=O)NC2CC2)cc1Cl ZINC000121370790 326333413 /nfs/dbraw/zinc/33/34/13/326333413.db2.gz UFJZLSQMJUQPSZ-INIZCTEOSA-N 1 0 360.845 2.283 20 30 FEEDRO COC(=O)[C@@H](c1cccnc1)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000121494566 326342759 /nfs/dbraw/zinc/34/27/59/326342759.db2.gz NLVYPYZGOVQWFA-HXUWFJFHSA-N 1 0 364.449 2.375 20 30 FEEDRO Cc1ccc(C#N)cc1NC(=O)C(=O)N1CCC([N@H+]2CCC[C@H]2C)CC1 ZINC000121712307 326360382 /nfs/dbraw/zinc/36/03/82/326360382.db2.gz ZRLHMCJVVCELAC-OAHLLOKOSA-N 1 0 354.454 2.281 20 30 FEEDRO CCN1CC[NH+](C[C@H](C)CNC(=O)CSCc2ccc(C#N)cc2)CC1 ZINC000122191224 326387504 /nfs/dbraw/zinc/38/75/04/326387504.db2.gz FEDNDLZBBCUYCE-QGZVFWFLSA-N 1 0 374.554 2.181 20 30 FEEDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)CNC(=O)c2ccc(C#N)cc2)C1 ZINC000171112650 327119120 /nfs/dbraw/zinc/11/91/20/327119120.db2.gz LBGJQAFRXAZSTN-IAGOWNOFSA-N 1 0 370.497 2.162 20 30 FEEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000172835052 327221512 /nfs/dbraw/zinc/22/15/12/327221512.db2.gz VPIPERDKHCTCLV-INIZCTEOSA-N 1 0 358.486 2.129 20 30 FEEDRO Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000173054101 327232551 /nfs/dbraw/zinc/23/25/51/327232551.db2.gz NAOUXJNNRHDYQX-HNNXBMFYSA-N 1 0 370.501 2.243 20 30 FEEDRO N#Cc1cc(NC(=O)C(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)ccc1Cl ZINC000173341404 327250869 /nfs/dbraw/zinc/25/08/69/327250869.db2.gz URXZTNOLONYVSC-AWEZNQCLSA-N 1 0 374.872 2.485 20 30 FEEDRO COc1ccc(C[NH2+]CCCN2c3ccccc3OCC2=O)cc1C#N ZINC000174520321 327332372 /nfs/dbraw/zinc/33/23/72/327332372.db2.gz NOLXQCNCHOKEKL-UHFFFAOYSA-N 1 0 351.406 2.472 20 30 FEEDRO Cc1cccc(NC(=O)C(=O)N[C@@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)c1C#N ZINC000174789080 327351090 /nfs/dbraw/zinc/35/10/90/327351090.db2.gz XBMMVZVTFVNCRE-LZWOXQAQSA-N 1 0 356.470 2.288 20 30 FEEDRO N#Cc1cc(F)ccc1NC(=O)C(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC000175971362 327425356 /nfs/dbraw/zinc/42/53/56/327425356.db2.gz FCVYTYVUWPPEHC-UHFFFAOYSA-N 1 0 372.444 2.360 20 30 FEEDRO N#Cc1ccc(NC(=O)C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)cc1Cl ZINC000264598251 329039315 /nfs/dbraw/zinc/03/93/15/329039315.db2.gz XHDQDEADLNYQLM-HNNXBMFYSA-N 1 0 360.845 2.237 20 30 FEEDRO COCCC[N@H+](C)CCNC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000266582226 329238515 /nfs/dbraw/zinc/23/85/15/329238515.db2.gz XGJWHVQTDFZUKU-UHFFFAOYSA-N 1 0 374.485 2.079 20 30 FEEDRO C[C@@H]([NH2+]C[C@H](O)c1ccc(C#N)cc1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000271800962 329726432 /nfs/dbraw/zinc/72/64/32/329726432.db2.gz JYWCXMFZOAMQSY-KUHUBIRLSA-N 1 0 373.478 2.193 20 30 FEEDRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(c2cc(C#N)ccc2[N+](=O)[O-])CC1 ZINC000274278246 329933682 /nfs/dbraw/zinc/93/36/82/329933682.db2.gz ULQDGQGZUXYBPC-HOTGVXAUSA-N 1 0 357.458 2.461 20 30 FEEDRO CS[C@@H]1CN(S(=O)(=O)c2cccc(C)c2C#N)C[C@@H]1[NH+]1CCCC1 ZINC000274744652 329976166 /nfs/dbraw/zinc/97/61/66/329976166.db2.gz GLLMWHVTVLFDRM-JKSUJKDBSA-N 1 0 365.524 2.067 20 30 FEEDRO CCC[NH+]1CCC(NC(=O)[C@@H]2CCCN(c3nc(C)ccc3C#N)C2)CC1 ZINC000331794723 330201522 /nfs/dbraw/zinc/20/15/22/330201522.db2.gz DEIGBOJRJYLPJN-GOSISDBHSA-N 1 0 369.513 2.469 20 30 FEEDRO N#Cc1ccc2ncc(C[NH2+][C@@H]3CCN(Cc4ccc(F)cc4)C3=O)n2c1 ZINC000367039751 330210390 /nfs/dbraw/zinc/21/03/90/330210390.db2.gz AASADKSNMTZPFV-GOSISDBHSA-N 1 0 363.396 2.236 20 30 FEEDRO C#CCNc1nc(NC[C@@H]2CCSC2)[nH+]c(NC[C@@H]2CCSC2)n1 ZINC000804677109 674296783 /nfs/dbraw/zinc/29/67/83/674296783.db2.gz JEXYTPTUWOEYKS-STQMWFEESA-N 1 0 364.544 2.247 20 30 FEEDRO CC[N@@H+]1CCC[C@@H](CN(C)C(=O)NCC(C)(C)OC)[C@@H]1c1cnn(C)c1 ZINC000328642263 521615238 /nfs/dbraw/zinc/61/52/38/521615238.db2.gz YJORTLUSKSFYJE-DOTOQJQBSA-N 1 0 365.522 2.464 20 30 FEEDRO C[C@@H]([NH2+][C@H](C)C1CCN(CC(F)(F)F)CC1)C(=O)NC1(C#N)CCC1 ZINC000555510394 674364106 /nfs/dbraw/zinc/36/41/06/674364106.db2.gz QTKVPTIJOGKXFC-CHWSQXEVSA-N 1 0 360.424 2.190 20 30 FEEDRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2ccc(F)c(C#N)c2)C1 ZINC000155540440 545540183 /nfs/dbraw/zinc/54/01/83/545540183.db2.gz CWUVVHXUAYIERF-AWEZNQCLSA-N 1 0 360.433 2.120 20 30 FEEDRO Cc1cccc(NC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1C#N ZINC000155965753 545587580 /nfs/dbraw/zinc/58/75/80/545587580.db2.gz ZDUPIEPMVFNXMC-HNAYVOBHSA-N 1 0 366.465 2.281 20 30 FEEDRO N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)NC1CC[NH+](C2CC2)CC1 ZINC000156309997 545616359 /nfs/dbraw/zinc/61/63/59/545616359.db2.gz PZYYAMLPIGRTIO-UHFFFAOYSA-N 1 0 373.400 2.482 20 30 FEEDRO CS(=O)(=O)CCN(CCC(=O)Nc1ccc(C#N)c(Cl)c1)C1CC1 ZINC000156496447 545630614 /nfs/dbraw/zinc/63/06/14/545630614.db2.gz VMMOTLKYVAKTCQ-UHFFFAOYSA-N 1 0 369.874 2.049 20 30 FEEDRO C[C@H](CNS(=O)(=O)c1ccc(F)cc1C#N)[N@H+](C)Cc1ccccc1 ZINC000157444287 545741338 /nfs/dbraw/zinc/74/13/38/545741338.db2.gz DXEFTUGYOJKUFS-CQSZACIVSA-N 1 0 361.442 2.496 20 30 FEEDRO CN1CC[N@H+](C)C[C@H]1CNC(=O)Nc1cccc(C#Cc2ccccc2)c1 ZINC000477656977 561150521 /nfs/dbraw/zinc/15/05/21/561150521.db2.gz BXNSRKYNANPRTE-OAQYLSRUSA-N 1 0 362.477 2.454 20 30 FEEDRO CC(C)Oc1ccc(NC(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)cc1C#N ZINC000157689378 545770800 /nfs/dbraw/zinc/77/08/00/545770800.db2.gz DLYRMNAMCJHKOU-INIZCTEOSA-N 1 0 373.501 2.350 20 30 FEEDRO C[C@H]1CCC[N@@H+]1C1CCN(S(=O)(=O)c2c(F)cc(C#N)cc2F)CC1 ZINC000158560310 545871717 /nfs/dbraw/zinc/87/17/17/545871717.db2.gz VIJKUOHRTJFMRV-LBPRGKRZSA-N 1 0 369.437 2.474 20 30 FEEDRO CC[NH+]=C(NCc1cccc(N2CCCC2=O)c1)N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000159698656 545974285 /nfs/dbraw/zinc/97/42/85/545974285.db2.gz BLWTYOILMUIWHV-KURKYZTESA-N 1 0 356.470 2.188 20 30 FEEDRO C=CC[C@H](C)[C@@H](C)[NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000159734962 545976719 /nfs/dbraw/zinc/97/67/19/545976719.db2.gz QLUUKAIVFUCRDQ-JKSUJKDBSA-N 1 0 352.500 2.398 20 30 FEEDRO C[C@@H](NC(=O)CNc1ccc(C#N)cc1)C1([NH+]2CCOCC2)CCCC1 ZINC000478529947 561168946 /nfs/dbraw/zinc/16/89/46/561168946.db2.gz XSKUKLDTZPQDJP-MRXNPFEDSA-N 1 0 356.470 2.120 20 30 FEEDRO Cc1cc(C)cc(NC(=[NH2+])NCCNS(=O)(=O)c2cccs2)c1 ZINC000160480157 546045895 /nfs/dbraw/zinc/04/58/95/546045895.db2.gz SSESKCGOFWMDDK-UHFFFAOYSA-N 1 0 352.485 2.070 20 30 FEEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CCC[N@H+](C)CC1 ZINC000162002170 546136879 /nfs/dbraw/zinc/13/68/79/546136879.db2.gz AKUWJZRUUSOBFU-CQSZACIVSA-N 1 0 360.483 2.183 20 30 FEEDRO N#CCc1ccc(OC[C@@H](O)CN2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000163914629 546147752 /nfs/dbraw/zinc/14/77/52/546147752.db2.gz CJXYUTYGABSNCM-FQEVSTJZSA-N 1 0 357.498 2.443 20 30 FEEDRO C=CCN1CCC([NH2+][C@H](C)c2cc(S(N)(=O)=O)c(C)cc2C)CC1 ZINC000479068840 561180836 /nfs/dbraw/zinc/18/08/36/561180836.db2.gz OZPXTBGZAIEANT-OAHLLOKOSA-N 1 0 351.516 2.252 20 30 FEEDRO CN(c1ccc(OCC[NH+]2CCCC2)cc1)S(=O)(=O)CC1(C#N)CC1 ZINC000166097161 546154767 /nfs/dbraw/zinc/15/47/67/546154767.db2.gz XCSANOKZCVPCOQ-UHFFFAOYSA-N 1 0 363.483 2.231 20 30 FEEDRO C[C@@H]1CN(C(C)(C)CNC(=O)NCc2ccc(C#N)cc2F)C[C@H](C)O1 ZINC000170935024 546183532 /nfs/dbraw/zinc/18/35/32/546183532.db2.gz GRBFXPHVJXFLLN-OKILXGFUSA-N 1 0 362.449 2.384 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)/C=C/c2ccc(C(=O)NC3CC3)cc2)CC1 ZINC000171719519 546220155 /nfs/dbraw/zinc/22/01/55/546220155.db2.gz UQYJWZWJLDNGIH-BJMVGYQFSA-N 1 0 353.466 2.359 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)[C@@H]2CCCN2c2ncnc3sccc32)CC1 ZINC000171715075 546220982 /nfs/dbraw/zinc/22/09/82/546220982.db2.gz XYOFEPGLERQHLH-INIZCTEOSA-N 1 0 371.510 2.427 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)CCCNC(=O)c2ccccc2OCC)CC1 ZINC000171722912 546221657 /nfs/dbraw/zinc/22/16/57/546221657.db2.gz PZTDKASTDSJOQA-UHFFFAOYSA-N 1 0 373.497 2.362 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)[C@H](C(C)C)N2C(=O)c3ccccc3C2=O)CC1 ZINC000171724758 546221755 /nfs/dbraw/zinc/22/17/55/546221755.db2.gz LRSOGNCLGYGAIX-SFHVURJKSA-N 1 0 369.465 2.074 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)Nc2cc(C(=O)NC)ccc2Cl)CC1 ZINC000171738198 546223043 /nfs/dbraw/zinc/22/30/43/546223043.db2.gz OEIHDQJIFYPJKO-UHFFFAOYSA-N 1 0 350.850 2.472 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N[C@H](CO)Cc2c[nH]c3ccccc23)CC1 ZINC000171740625 546223160 /nfs/dbraw/zinc/22/31/60/546223160.db2.gz OAEVKWQAMMVWLU-KRWDZBQOSA-N 1 0 356.470 2.021 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N2CCCN(C(=O)c3ccccc3)CC2)CC1 ZINC000171740295 546223686 /nfs/dbraw/zinc/22/36/86/546223686.db2.gz QQUGWLHRTWFESY-UHFFFAOYSA-N 1 0 370.497 2.195 20 30 FEEDRO N#CC1(NC(=O)CCCn2cccn2)CC[NH+](Cc2ccccc2)CC1 ZINC000479314492 561187104 /nfs/dbraw/zinc/18/71/04/561187104.db2.gz OITMLGUAPIKGRN-UHFFFAOYSA-N 1 0 351.454 2.338 20 30 FEEDRO C=CCSc1ccccc1NC(=O)CN1CCC[C@@H](OCCO)C1 ZINC000172294665 546244866 /nfs/dbraw/zinc/24/48/66/546244866.db2.gz NXYVKBVHISDDHI-OAHLLOKOSA-N 1 0 350.484 2.377 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(C)c(OC(F)F)c2)CC1 ZINC000173271412 546276953 /nfs/dbraw/zinc/27/69/53/546276953.db2.gz KVMOSAVXMQYIQT-UHFFFAOYSA-N 1 0 367.396 2.302 20 30 FEEDRO N#CCOc1ccc(CC(=O)N2CCC(OCC[NH+]3CCCC3)CC2)cc1 ZINC000175122125 546306333 /nfs/dbraw/zinc/30/63/33/546306333.db2.gz JZXLGUXOXNEHPB-UHFFFAOYSA-N 1 0 371.481 2.235 20 30 FEEDRO Cn1cc(CNc2ccc(CC[NH+]3CCC(C(N)=O)CC3)cc2)cc1C#N ZINC000480298331 561206676 /nfs/dbraw/zinc/20/66/76/561206676.db2.gz ZMHWNDAXBYAHIX-UHFFFAOYSA-N 1 0 365.481 2.249 20 30 FEEDRO N#Cc1ccc2ncc(C[NH2+]C[C@@H](CO)Cc3ccc(F)c(F)c3)n2c1 ZINC000480475600 561210027 /nfs/dbraw/zinc/21/00/27/561210027.db2.gz XNCJYVIAULKOOX-HNNXBMFYSA-N 1 0 356.376 2.425 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCOC[C@@H]1[C@@H]1CCCO1)C(C)C ZINC000480521725 561211215 /nfs/dbraw/zinc/21/12/15/561211215.db2.gz UQDIILNHRDYMRN-QRVBRYPASA-N 1 0 365.518 2.274 20 30 FEEDRO C=CCN1CCC([NH2+][C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)CC1 ZINC000177313640 546592031 /nfs/dbraw/zinc/59/20/31/546592031.db2.gz BUPVEPWTYWBZNQ-OAHLLOKOSA-N 1 0 351.516 2.238 20 30 FEEDRO C[NH+](C)CC[C@@H](NS(=O)(=O)Cc1ccc(C#N)cc1F)C(C)(C)C ZINC000481035519 561223489 /nfs/dbraw/zinc/22/34/89/561223489.db2.gz JKQVHLBJAHIPAY-MRXNPFEDSA-N 1 0 355.479 2.483 20 30 FEEDRO N#Cc1cccc(OCCCCC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)c1 ZINC000178097904 546737682 /nfs/dbraw/zinc/73/76/82/546737682.db2.gz JSHLNWOEZOHJLV-IBGZPJMESA-N 1 0 371.481 2.288 20 30 FEEDRO CC[C@@H](C)NC(=O)[C@H](C)ON=C(N)c1cccc(Cn2nc(C)cc2C)c1 ZINC000178156368 546747751 /nfs/dbraw/zinc/74/77/51/546747751.db2.gz LUJQOCRCFZNTQZ-CJNGLKHVSA-N 1 0 371.485 2.488 20 30 FEEDRO Cc1c(C#N)cccc1NC(=O)C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000178418561 546790748 /nfs/dbraw/zinc/79/07/48/546790748.db2.gz WJVNDTOSINOZSQ-OAHLLOKOSA-N 1 0 356.470 2.434 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)c2cncc(I)c2)CC1 ZINC000179312789 546929668 /nfs/dbraw/zinc/92/96/68/546929668.db2.gz PVWLPWVUJPECLP-UHFFFAOYSA-N 1 0 371.222 2.066 20 30 FEEDRO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000482018691 561247489 /nfs/dbraw/zinc/24/74/89/561247489.db2.gz STLXOGJGVAKMKD-HXUWFJFHSA-N 1 0 372.513 2.104 20 30 FEEDRO C[C@@H]1CC[N@H+](CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)C[C@@H]1C ZINC000179660819 546994190 /nfs/dbraw/zinc/99/41/90/546994190.db2.gz HLLOZHPIVFFRJQ-IKGGRYGDSA-N 1 0 360.527 2.435 20 30 FEEDRO CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH2+][C@H](c2ccccc2)C2CC2)CC1 ZINC000179692699 546999535 /nfs/dbraw/zinc/99/95/35/546999535.db2.gz NBIHQRJAXBXWSF-TZIWHRDSSA-N 1 0 354.498 2.420 20 30 FEEDRO CC[NH+]1CCN([C@@H]2CCN(C(=O)Nc3ccccc3O[C@H](C)C#N)C2)CC1 ZINC000180037759 547041972 /nfs/dbraw/zinc/04/19/72/547041972.db2.gz DOUXVDFBCUOASB-IAGOWNOFSA-N 1 0 371.485 2.221 20 30 FEEDRO C[C@H](C#N)Oc1ccccc1NC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000180088192 547050293 /nfs/dbraw/zinc/05/02/93/547050293.db2.gz NEPPJRKETORYHO-CVEARBPZSA-N 1 0 358.442 2.163 20 30 FEEDRO C=CCOC[C@H](N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12)C(=O)OC ZINC000482440151 561253999 /nfs/dbraw/zinc/25/39/99/561253999.db2.gz PYSAZGUZYINYDA-WCIQWLHISA-N 1 0 358.482 2.231 20 30 FEEDRO Cc1nn(C)c(N2CC[NH+](CCCc3ccc4c(c3)CCO4)CC2)c1C#N ZINC000482460936 561254348 /nfs/dbraw/zinc/25/43/48/561254348.db2.gz REPOWGIINZWVAK-UHFFFAOYSA-N 1 0 365.481 2.290 20 30 FEEDRO CC[C@H]([NH2+]CC(=O)N(CCC#N)CCC#N)c1ccc2c(c1)OCCO2 ZINC000180646617 547149425 /nfs/dbraw/zinc/14/94/25/547149425.db2.gz AAFXCDNCQAKNEU-INIZCTEOSA-N 1 0 356.426 2.154 20 30 FEEDRO C[C@H](C[N@H+](C)Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1C#N ZINC000180830655 547188060 /nfs/dbraw/zinc/18/80/60/547188060.db2.gz DTVNKTUHUCLASA-CQSZACIVSA-N 1 0 361.442 2.496 20 30 FEEDRO C[C@@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1cnn(Cc2ccccc2)c1 ZINC000180867252 547196842 /nfs/dbraw/zinc/19/68/42/547196842.db2.gz LFJIAQOLUAGBLN-MVZUJROASA-N 1 0 365.437 2.108 20 30 FEEDRO C=CCCC[C@@H](C)NC(=O)C(=O)Nc1ccc(OC2CC[NH+](C)CC2)nc1 ZINC000180931269 547212832 /nfs/dbraw/zinc/21/28/32/547212832.db2.gz ULQVMYLJDMRZSA-OAHLLOKOSA-N 1 0 374.485 2.354 20 30 FEEDRO N#Cc1cccc(COc2cccc(C[NH2+]CC(=O)N3CCOCC3)c2)c1 ZINC000181035127 547236856 /nfs/dbraw/zinc/23/68/56/547236856.db2.gz JGZKRYRKGDKOJM-UHFFFAOYSA-N 1 0 365.433 2.086 20 30 FEEDRO C=CCn1c(SCCC[NH+]2CCN(C)CC2)nc2ccccc2c1=O ZINC000181304189 547289601 /nfs/dbraw/zinc/28/96/01/547289601.db2.gz GNZKFLGWQDPCPN-UHFFFAOYSA-N 1 0 358.511 2.312 20 30 FEEDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)cc1F ZINC000181355456 547299471 /nfs/dbraw/zinc/29/94/71/547299471.db2.gz NWMSUVFQCOUHEL-APWZRJJASA-N 1 0 360.477 2.477 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccccc2O[C@@H](C)C#N)CC1 ZINC000181781923 547380501 /nfs/dbraw/zinc/38/05/01/547380501.db2.gz WFNQASFIWVWIKU-HNNXBMFYSA-N 1 0 370.453 2.073 20 30 FEEDRO C[C@H]([NH2+]C[C@H](O)COc1ccc(C#N)cc1)c1ccc(-n2ccnn2)cc1 ZINC000182043198 547427423 /nfs/dbraw/zinc/42/74/23/547427423.db2.gz GCYGEUOGVWZWFZ-KXBFYZLASA-N 1 0 363.421 2.229 20 30 FEEDRO C[C@@H](C#N)CNC(=O)NCCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000182591259 547518564 /nfs/dbraw/zinc/51/85/64/547518564.db2.gz BDTSEEIDSTXILM-SFHVURJKSA-N 1 0 357.502 2.043 20 30 FEEDRO C[C@H](CCNC(=O)N1CCN(c2ccc(C#N)cn2)CC1)[NH+]1CCCCC1 ZINC000182665501 547530200 /nfs/dbraw/zinc/53/02/00/547530200.db2.gz CGZFSSHJTQXTNW-QGZVFWFLSA-N 1 0 370.501 2.049 20 30 FEEDRO C[C@@H](CCNC(=O)N1CCN(c2ncccc2C#N)CC1)[NH+]1CCCCC1 ZINC000182665307 547530287 /nfs/dbraw/zinc/53/02/87/547530287.db2.gz VLLBKAOOAAOHPG-KRWDZBQOSA-N 1 0 370.501 2.049 20 30 FEEDRO COc1cc(C#N)ccc1S(=O)(=O)NC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000185620477 548010180 /nfs/dbraw/zinc/01/01/80/548010180.db2.gz XAUFSHSIHYFZQX-HNNXBMFYSA-N 1 0 373.478 2.366 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)Nc2ccc(CN3C(=O)CCCC3=O)cc2)CC1 ZINC000186597810 548156993 /nfs/dbraw/zinc/15/69/93/548156993.db2.gz QNEHJXIKUBPWTN-UHFFFAOYSA-N 1 0 367.449 2.009 20 30 FEEDRO C#CCOc1ccccc1NC(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000188042529 548269620 /nfs/dbraw/zinc/26/96/20/548269620.db2.gz LNMZVGOIVJKTBY-UHFFFAOYSA-N 1 0 368.437 2.356 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)NC[C@@]2(O)CCC[C@H](C(F)(F)F)C2)CC1 ZINC000188569539 548283040 /nfs/dbraw/zinc/28/30/40/548283040.db2.gz SCZSEMGMZYCPDL-XJKSGUPXSA-N 1 0 363.424 2.420 20 30 FEEDRO N#CCCN(CCN1CCOCC1)Cc1ccn(-c2ccccc2F)n1 ZINC000189067375 548294368 /nfs/dbraw/zinc/29/43/68/548294368.db2.gz VSPBOHYYPBMOCN-UHFFFAOYSA-N 1 0 357.433 2.059 20 30 FEEDRO C=CCN(CCOC)[C@@H](C)C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000191129221 548340197 /nfs/dbraw/zinc/34/01/97/548340197.db2.gz BQOGTVXRJNUDKX-KMYSJOAASA-N 1 0 363.502 2.304 20 30 FEEDRO CC(C)CCC[C@H](C)NC(=[NH2+])NCc1ccc(S(=O)(=O)CCO)cc1 ZINC000191170077 548341407 /nfs/dbraw/zinc/34/14/07/548341407.db2.gz JPQXZDNBRXRYLZ-HNNXBMFYSA-N 1 0 369.531 2.072 20 30 FEEDRO C=CCSCCNC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000192364134 548362631 /nfs/dbraw/zinc/36/26/31/548362631.db2.gz JSELQJKTRQTOLC-GOSISDBHSA-N 1 0 363.527 2.496 20 30 FEEDRO CCS(=O)(=O)N1CCC([NH2+][C@@H](C)c2ccc(OCC#N)cc2)CC1 ZINC000192954149 548376662 /nfs/dbraw/zinc/37/66/62/548376662.db2.gz RNZTUGKJGQIKKD-AWEZNQCLSA-N 1 0 351.472 2.054 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCN(c2cnccn2)CC1)C(C)C ZINC000193859855 548398686 /nfs/dbraw/zinc/39/86/86/548398686.db2.gz NGYQABRURWMBOD-SFHVURJKSA-N 1 0 372.517 2.007 20 30 FEEDRO CCOC(=O)CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)c1ccc(C#N)c(C)n1 ZINC000195185272 548592319 /nfs/dbraw/zinc/59/23/19/548592319.db2.gz VSGUZOMXDHSYDX-QGZVFWFLSA-N 1 0 372.469 2.141 20 30 FEEDRO C=CCN1C(=O)c2ccc(C(=O)N[C@H]3CCC[C@H]([NH+](C)C)C3)cc2C1=O ZINC000487436879 561369750 /nfs/dbraw/zinc/36/97/50/561369750.db2.gz HHKGVKGIFQVXIG-GJZGRUSLSA-N 1 0 355.438 2.071 20 30 FEEDRO C=CCCC[C@H](C)NC(=O)C(=O)NC1CCN(c2cc(C)nc(C)n2)CC1 ZINC000487770411 561375367 /nfs/dbraw/zinc/37/53/67/561375367.db2.gz MLRPWSOUWCKDQQ-AWEZNQCLSA-N 1 0 373.501 2.039 20 30 FEEDRO CCCNC(=O)[C@H]1CCC[N@@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000245517582 548938169 /nfs/dbraw/zinc/93/81/69/548938169.db2.gz GYMNPFJPWZQPEZ-HKUYNNGSSA-N 1 0 368.481 2.292 20 30 FEEDRO C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000245829475 549000631 /nfs/dbraw/zinc/00/06/31/549000631.db2.gz RHXMEFYYTDITEG-GJZGRUSLSA-N 1 0 362.449 2.350 20 30 FEEDRO C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000246292715 549098463 /nfs/dbraw/zinc/09/84/63/549098463.db2.gz VIOKMERERRAKSV-HZPDHXFCSA-N 1 0 356.470 2.070 20 30 FEEDRO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 ZINC000246509476 549149778 /nfs/dbraw/zinc/14/97/78/549149778.db2.gz ICQJBCNRXOTPSD-JQFCIGGWSA-N 1 0 363.433 2.114 20 30 FEEDRO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)Nc1ccn(CCC#N)n1 ZINC000246726414 549197749 /nfs/dbraw/zinc/19/77/49/549197749.db2.gz MMBVRGPKFMLCLS-NVXWUHKLSA-N 1 0 367.457 2.224 20 30 FEEDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000489589206 561414915 /nfs/dbraw/zinc/41/49/15/561414915.db2.gz UJDACQCFHXWURA-HZSPNIEDSA-N 1 0 353.463 2.342 20 30 FEEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)[C@@H](C)C1 ZINC000249153469 549561997 /nfs/dbraw/zinc/56/19/97/549561997.db2.gz HVCZSYUCBRBEDD-LRDDRELGSA-N 1 0 362.861 2.339 20 30 FEEDRO CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000249410929 549589455 /nfs/dbraw/zinc/58/94/55/549589455.db2.gz VGJKSBVIZSMIOZ-LPHOPBHVSA-N 1 0 373.497 2.265 20 30 FEEDRO CC[C@H](C)[NH2+][C@@H](CNS(=O)(=O)c1cnc(C)c(C#N)c1)c1ccco1 ZINC000489848810 561420452 /nfs/dbraw/zinc/42/04/52/561420452.db2.gz UJHKJVBLACOXPI-LRDDRELGSA-N 1 0 362.455 2.262 20 30 FEEDRO C=C[C@@](C)(CCOC)C(=O)NCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000249953593 549636174 /nfs/dbraw/zinc/63/61/74/549636174.db2.gz VLLCJDHLBZZNDL-FPOVZHCZSA-N 1 0 360.498 2.488 20 30 FEEDRO CC[C@H](C)[NH2+][C@H](CNS(=O)(=O)c1cnc(C)c(C#N)c1)c1ccco1 ZINC000489848808 561420524 /nfs/dbraw/zinc/42/05/24/561420524.db2.gz UJHKJVBLACOXPI-BLLLJJGKSA-N 1 0 362.455 2.262 20 30 FEEDRO COCC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)[C@H]1CCOC1 ZINC000490064826 561425527 /nfs/dbraw/zinc/42/55/27/561425527.db2.gz VBGUJUNBBMDDJW-ZDUSSCGKSA-N 1 0 363.483 2.174 20 30 FEEDRO C[NH+]=C(NCc1nn(-c2ccccc2)c2c1CCC2)N(C)C[C@@H]1CCOC1 ZINC000261729498 549748604 /nfs/dbraw/zinc/74/86/04/549748604.db2.gz XZKGWHKWDURIMS-INIZCTEOSA-N 1 0 367.497 2.405 20 30 FEEDRO C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)N[C@@H]1CCN(c2ccccc2OC)C1 ZINC000261954225 549773821 /nfs/dbraw/zinc/77/38/21/549773821.db2.gz IGAWNARLMXIZBN-OHQAAIJDSA-N 1 0 372.513 2.252 20 30 FEEDRO C[NH+]=C(NCc1cnc(N(C)C)n1C)N[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000261964944 549774444 /nfs/dbraw/zinc/77/44/44/549774444.db2.gz LDECBUGXSGZWGI-MRXNPFEDSA-N 1 0 370.501 2.454 20 30 FEEDRO Cc1nnc(CNC(=[NH+]C2CC2)N(C)Cc2nc3c(s2)CCCC3)n1C ZINC000261958977 549774643 /nfs/dbraw/zinc/77/46/43/549774643.db2.gz JPEDCWWXYYILSW-UHFFFAOYSA-N 1 0 373.530 2.199 20 30 FEEDRO C[NH+]=C(NCC1(SC)CCOCC1)N1CC[C@H](Oc2ccccn2)C1 ZINC000261999615 549778439 /nfs/dbraw/zinc/77/84/39/549778439.db2.gz UAIDBRVBLBAQOA-HNNXBMFYSA-N 1 0 364.515 2.022 20 30 FEEDRO [NH2+]=C(NCc1cccc(N2CCOCC2)n1)Nc1ccc2c(c1)CCC2 ZINC000262443341 549820153 /nfs/dbraw/zinc/82/01/53/549820153.db2.gz CZCOOANPDHITPS-UHFFFAOYSA-N 1 0 351.454 2.334 20 30 FEEDRO C[C@H]1C[NH+]=C(NCC2(c3ccc(Br)cc3)CCOCC2)N1 ZINC000262481125 549823564 /nfs/dbraw/zinc/82/35/64/549823564.db2.gz CZCQPHUNXAWMPT-LBPRGKRZSA-N 1 0 352.276 2.435 20 30 FEEDRO CN(Cc1ccccc1)C(NC[C@@H]1CCS(=O)(=O)C1)=[NH+]C1CCCC1 ZINC000262454615 549820975 /nfs/dbraw/zinc/82/09/75/549820975.db2.gz WOCNBMQLKGXQEF-KRWDZBQOSA-N 1 0 363.527 2.441 20 30 FEEDRO C[NH+]=C(NCCc1cc(Cl)c2c(c1)OCCO2)N1CC[C@@H](COC)C1 ZINC000262488697 549823923 /nfs/dbraw/zinc/82/39/23/549823923.db2.gz UBQIDUZMMOGFIH-CQSZACIVSA-N 1 0 367.877 2.197 20 30 FEEDRO C[NH+]=C(NCc1cn2c(n1)CCCC2)N[C@@H]1CCN(c2ccccc2)C1 ZINC000262783773 549849231 /nfs/dbraw/zinc/84/92/31/549849231.db2.gz MJYLVVYGJWBTGY-MRXNPFEDSA-N 1 0 352.486 2.163 20 30 FEEDRO C[NH+]=C(NCc1cccnc1N1CCOCC1)N1CCc2ccccc21 ZINC000263248153 549889131 /nfs/dbraw/zinc/88/91/31/549889131.db2.gz NUSVWINREMUZPW-UHFFFAOYSA-N 1 0 351.454 2.056 20 30 FEEDRO C[NH+]=C(NCc1ccccc1S(=O)(=O)N(C)C)N1CCc2ccccc21 ZINC000263279856 549891474 /nfs/dbraw/zinc/89/14/74/549891474.db2.gz ZRZQIJDXZXVNKU-UHFFFAOYSA-N 1 0 372.494 2.075 20 30 FEEDRO C=CCN1C(=O)c2ccc(C(=O)NC[C@H](C)C[NH+]3CCCCC3)cc2C1=O ZINC000490647879 561436678 /nfs/dbraw/zinc/43/66/78/561436678.db2.gz JKFMRTPHXTXZAA-HNNXBMFYSA-N 1 0 369.465 2.320 20 30 FEEDRO CC(C)(C)OC(=O)C1CC[NH+](C[C@H](O)COc2ccc(C#N)cc2)CC1 ZINC000263894840 549951956 /nfs/dbraw/zinc/95/19/56/549951956.db2.gz WKIZEMHEVJOGRO-KRWDZBQOSA-N 1 0 360.454 2.352 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)CC1 ZINC000264011857 549967800 /nfs/dbraw/zinc/96/78/00/549967800.db2.gz BWHHFNWQQCRYQL-UHFFFAOYSA-N 1 0 351.450 2.273 20 30 FEEDRO CCc1cccc(NC(=[NH2+])NCCS(=O)(=O)NCc2ccccc2)c1 ZINC000264068291 549974784 /nfs/dbraw/zinc/97/47/84/549974784.db2.gz CDLJKCWTYGUOSY-UHFFFAOYSA-N 1 0 360.483 2.095 20 30 FEEDRO COCCOc1ncccc1CNC(=[NH2+])Nc1ccc(OC)c(OC)c1 ZINC000264135452 549983856 /nfs/dbraw/zinc/98/38/56/549983856.db2.gz ZOSGKSWGTMUCDI-UHFFFAOYSA-N 1 0 360.414 2.051 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cccc(OCC(=O)OC)c2)CC1 ZINC000264408157 549995352 /nfs/dbraw/zinc/99/53/52/549995352.db2.gz QNCZIZSACWROFE-UHFFFAOYSA-N 1 0 361.442 2.400 20 30 FEEDRO N#CC1(C(=O)NCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)CCCC1 ZINC000264440088 549996024 /nfs/dbraw/zinc/99/60/24/549996024.db2.gz AGBKMOAZWIVZRP-GOSISDBHSA-N 1 0 368.481 2.084 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@H](C)c1nnc2n1CCC2)C(C)C ZINC000264534296 549998049 /nfs/dbraw/zinc/99/80/49/549998049.db2.gz LUCVBYHZNZLRBX-HZPDHXFCSA-N 1 0 360.506 2.283 20 30 FEEDRO C[NH+]=C(NCCCCN1C(=O)c2ccccc2C1=O)NCc1ccco1 ZINC000264911897 550003430 /nfs/dbraw/zinc/00/34/30/550003430.db2.gz ZQWGLKANSKWOLJ-UHFFFAOYSA-N 1 0 354.410 2.021 20 30 FEEDRO CCC(CC)[C@@H](CNC(=O)C(=O)Nc1cccc(OCC#N)c1)[NH+](C)C ZINC000265376738 550009408 /nfs/dbraw/zinc/00/94/08/550009408.db2.gz IHEZEHAYWYINJW-QGZVFWFLSA-N 1 0 360.458 2.010 20 30 FEEDRO C[NH+]1CCC(O)(CNC(=O)Nc2cccc(C#Cc3ccccn3)c2)CC1 ZINC000265955927 550015552 /nfs/dbraw/zinc/01/55/52/550015552.db2.gz RMDUJEFVXDSAJM-UHFFFAOYSA-N 1 0 364.449 2.060 20 30 FEEDRO C[C@@H](CNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1)CN1CCOCC1 ZINC000267450411 550031871 /nfs/dbraw/zinc/03/18/71/550031871.db2.gz RFLFXFCESJIBLR-LBPRGKRZSA-N 1 0 360.380 2.280 20 30 FEEDRO C=CCNC(=O)[C@H](C)N1CCCN(Cc2csc([C@H](C)OC)n2)CC1 ZINC000267725079 550034381 /nfs/dbraw/zinc/03/43/81/550034381.db2.gz MILPKPOBIZHYAD-GJZGRUSLSA-N 1 0 366.531 2.049 20 30 FEEDRO COc1cc(/C=C/C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)ccc1OCC#N ZINC000268221149 550037832 /nfs/dbraw/zinc/03/78/32/550037832.db2.gz LYCZXGGHCOYYJF-LUBSWZIOSA-N 1 0 355.438 2.210 20 30 FEEDRO O=C(NCC#Cc1ccccc1)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000268948785 550136069 /nfs/dbraw/zinc/13/60/69/550136069.db2.gz CFDDVZWELMPSMW-VQTJNVASSA-N 1 0 355.482 2.105 20 30 FEEDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)Nc2cccc(OCC#N)c2)C1 ZINC000269559445 550206492 /nfs/dbraw/zinc/20/64/92/550206492.db2.gz ILSYUBGPJJIUNO-MRXNPFEDSA-N 1 0 372.469 2.012 20 30 FEEDRO N#Cc1ccc(C(=O)NC2CC[NH+](CCOc3ccc(F)cc3)CC2)[nH]1 ZINC000269761503 550223375 /nfs/dbraw/zinc/22/33/75/550223375.db2.gz HGEPNZBAHGBAOV-UHFFFAOYSA-N 1 0 356.401 2.299 20 30 FEEDRO COc1ccc(CCNC(=[NH2+])N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)cc1OC ZINC000269918294 550236132 /nfs/dbraw/zinc/23/61/32/550236132.db2.gz LYIYJHBSKSZLOM-QGTPRVQTSA-N 1 0 359.470 2.108 20 30 FEEDRO C=CCN1CC[C@@H]([NH2+]CC2(c3cc(C)ccc3OC)CCOCC2)C1=O ZINC000493766742 561458091 /nfs/dbraw/zinc/45/80/91/561458091.db2.gz QOIHYMUAUYWBQF-GOSISDBHSA-N 1 0 358.482 2.428 20 30 FEEDRO N#CCc1cccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)c1 ZINC000270862206 550314604 /nfs/dbraw/zinc/31/46/04/550314604.db2.gz NEAOGIQLCXOUPE-LEWJYISDSA-N 1 0 363.461 2.365 20 30 FEEDRO CC[C@@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1ccc2c(c1)OCCO2 ZINC000271499438 550380001 /nfs/dbraw/zinc/38/00/01/550380001.db2.gz QLJNEYFZILUKSR-ORIGZDJFSA-N 1 0 357.410 2.025 20 30 FEEDRO CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2)C1 ZINC000271694907 550395456 /nfs/dbraw/zinc/39/54/56/550395456.db2.gz SGUAZWNORCMETN-HDMKZQKVSA-N 1 0 357.454 2.399 20 30 FEEDRO C[C@H]([NH2+]C[C@H](O)COc1ccc(C#N)cc1)c1ccc2c(c1)CC(=O)N2C ZINC000271846176 550405693 /nfs/dbraw/zinc/40/56/93/550405693.db2.gz QQLJIQRPDVGYHM-KSSFIOAISA-N 1 0 365.433 2.168 20 30 FEEDRO N#CCN1CCC[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC000272058685 550419325 /nfs/dbraw/zinc/41/93/25/550419325.db2.gz BVHCRFBDCBZFNA-VQTJNVASSA-N 1 0 354.498 2.393 20 30 FEEDRO C=CCNC(=O)c1ccc(NC(=O)N2C[C@H](SC)[C@@H]([NH+](C)C)C2)cc1 ZINC000272329593 550438362 /nfs/dbraw/zinc/43/83/62/550438362.db2.gz KBKAUVKYJAWWGC-HOTGVXAUSA-N 1 0 362.499 2.112 20 30 FEEDRO CCOc1ccc(N(CCC#N)C(=O)C[NH2+][C@H]2CCO[C@@H]2C2CC2)cc1 ZINC000494464341 561470327 /nfs/dbraw/zinc/47/03/27/561470327.db2.gz QKKJBYQKNIRKLH-AZUAARDMSA-N 1 0 357.454 2.489 20 30 FEEDRO C=CCS(=O)(=O)CCNC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000272910853 550476446 /nfs/dbraw/zinc/47/64/46/550476446.db2.gz WRAZDMLYBPOKIZ-UHFFFAOYSA-N 1 0 350.484 2.003 20 30 FEEDRO N#CCCCNC(=O)NCCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000273122056 550486008 /nfs/dbraw/zinc/48/60/08/550486008.db2.gz HNEGSPUJUIJJPQ-UHFFFAOYSA-N 1 0 357.502 2.187 20 30 FEEDRO C[C@@H](NCC(=O)NCc1ccc(C#N)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000273314702 550494160 /nfs/dbraw/zinc/49/41/60/550494160.db2.gz VGUOPGHVZMPHJC-APWZRJJASA-N 1 0 354.498 2.417 20 30 FEEDRO C#CCOc1ccccc1NC(=O)C(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000274706760 550550030 /nfs/dbraw/zinc/55/00/30/550550030.db2.gz RXXANIFHHHOUTC-KRWDZBQOSA-N 1 0 371.481 2.408 20 30 FEEDRO C=C(C)[C@H](NC(=O)NC[C@@H]1C[N@@H+](C)CCN1C)c1ccc(F)c(F)c1 ZINC000274712169 550550384 /nfs/dbraw/zinc/55/03/84/550550384.db2.gz AVDPAPVUSAPBSY-PBHICJAKSA-N 1 0 352.429 2.127 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cn(C)nc2-c2cnn(CC)c2)CC1 ZINC000275221831 550571070 /nfs/dbraw/zinc/57/10/70/550571070.db2.gz DKIREESKUPBBEV-UHFFFAOYSA-N 1 0 356.474 2.074 20 30 FEEDRO C[C@H](C#N)CN(C)C(=O)C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000275622204 550573241 /nfs/dbraw/zinc/57/32/41/550573241.db2.gz AUJXQSPVHMCVIQ-MRXNPFEDSA-N 1 0 372.469 2.108 20 30 FEEDRO C=CC[C@H](C)[C@H](C)[NH2+]C[C@@H]1CC(=O)N(CCOC)[C@H]1c1cnn(C)c1C ZINC000275630209 550573251 /nfs/dbraw/zinc/57/32/51/550573251.db2.gz SFSFSFIUTCMLRW-MZRZTIOWSA-N 1 0 362.518 2.455 20 30 FEEDRO C=CCOc1cccc(NC(=O)C(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)c1 ZINC000275780042 550574281 /nfs/dbraw/zinc/57/42/81/550574281.db2.gz FHROZUBSPJAGTE-HNNXBMFYSA-N 1 0 359.470 2.379 20 30 FEEDRO CC(C)(CNC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1)C[NH+]1CCCC1 ZINC000276895054 550608372 /nfs/dbraw/zinc/60/83/72/550608372.db2.gz RIOOETZZYWMYGD-UHFFFAOYSA-N 1 0 362.861 2.388 20 30 FEEDRO C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000278302157 550770883 /nfs/dbraw/zinc/77/08/83/550770883.db2.gz SMYMZGGDGDYDJL-BHIYHBOVSA-N 1 0 371.481 2.304 20 30 FEEDRO CC(C)(C)C(=O)NCC[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000278607105 550803488 /nfs/dbraw/zinc/80/34/88/550803488.db2.gz ILGXPSGVEUHENI-UHFFFAOYSA-N 1 0 354.458 2.111 20 30 FEEDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000278621735 550805145 /nfs/dbraw/zinc/80/51/45/550805145.db2.gz JZCMYMHLSJZPHZ-HNNXBMFYSA-N 1 0 367.453 2.293 20 30 FEEDRO C#CCOc1cccc(NC(=O)N2CC[N@H+](C3CCOCC3)C[C@@H]2C)c1 ZINC000278889754 550832665 /nfs/dbraw/zinc/83/26/65/550832665.db2.gz QEQKEJDDISHISD-INIZCTEOSA-N 1 0 357.454 2.416 20 30 FEEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccnn1CC(F)F ZINC000279276469 550872436 /nfs/dbraw/zinc/87/24/36/550872436.db2.gz SFZUGHFVHCIGIA-UHFFFAOYSA-N 1 0 361.396 2.224 20 30 FEEDRO CC(C)[C@@H]([NH2+]C[C@@H](O)COc1ccc(C#N)cc1)c1nnc2ccccn21 ZINC000495390894 561487413 /nfs/dbraw/zinc/48/74/13/561487413.db2.gz JITXLFIWIJESSY-VQIMIIECSA-N 1 0 365.437 2.328 20 30 FEEDRO CC(C)[C@@H]([NH2+]C[C@H](O)COc1ccc(C#N)cc1)c1nnc2ccccn21 ZINC000495390893 561487473 /nfs/dbraw/zinc/48/74/73/561487473.db2.gz JITXLFIWIJESSY-QFBILLFUSA-N 1 0 365.437 2.328 20 30 FEEDRO Cc1nc(C#N)c(N2CCC(C(=O)N3CCC[C@@H]3C[NH+]3CCCC3)CC2)o1 ZINC000279681989 550916249 /nfs/dbraw/zinc/91/62/49/550916249.db2.gz JAXJTWSOMUIIIU-QGZVFWFLSA-N 1 0 371.485 2.158 20 30 FEEDRO C[C@@H](CN1CCOCC1)[N@H+](C)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000279721888 550921501 /nfs/dbraw/zinc/92/15/01/550921501.db2.gz LXJANZATKOPEOV-INIZCTEOSA-N 1 0 353.470 2.111 20 30 FEEDRO C[NH+]1CCC([C@H]2CCN(C(=O)[C@H](C#N)Cc3ccc(C#N)cc3)C2)CC1 ZINC000279888446 550939730 /nfs/dbraw/zinc/93/97/30/550939730.db2.gz CURCGEKEQYDNQI-PMACEKPBSA-N 1 0 350.466 2.431 20 30 FEEDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)C2CCN(c3oc(C)nc3C#N)CC2)C1 ZINC000280127565 550963504 /nfs/dbraw/zinc/96/35/04/550963504.db2.gz MJKVZEMFPCICQQ-MRXNPFEDSA-N 1 0 373.501 2.261 20 30 FEEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(n2c(C)nc3ccccc32)CC1 ZINC000280242243 550974009 /nfs/dbraw/zinc/97/40/09/550974009.db2.gz NMZDZJUPJNJKPH-CQSZACIVSA-N 1 0 369.469 2.382 20 30 FEEDRO C[C@@H](CO)[N@@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)CC1CCC1 ZINC000280344327 550983021 /nfs/dbraw/zinc/98/30/21/550983021.db2.gz IPASUJZRQPHJJE-HNNXBMFYSA-N 1 0 367.453 2.165 20 30 FEEDRO C[NH+](C)CCCOC1CCN(C(=O)[C@H](C#N)Cc2ccc(C#N)cc2)CC1 ZINC000280389316 550988449 /nfs/dbraw/zinc/98/84/49/550988449.db2.gz NHIJZKAXEHAQAK-IBGZPJMESA-N 1 0 368.481 2.200 20 30 FEEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CC[C@@](C)(C(N)=O)C2)c1 ZINC000280714088 551024347 /nfs/dbraw/zinc/02/43/47/551024347.db2.gz JNDPKVJDJJWMTB-OXJNMPFZSA-N 1 0 356.470 2.136 20 30 FEEDRO C=CCN1CC[C@H]([NH2+][C@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)c(F)c2)C1=O ZINC000280930194 551046495 /nfs/dbraw/zinc/04/64/95/551046495.db2.gz DVXYUGXASUCNQA-ZOBUZTSGSA-N 1 0 365.836 2.127 20 30 FEEDRO COc1cc(C[NH2+]C2CCN(C(=O)c3ccncc3)CC2)ccc1C#N ZINC000281598673 551118290 /nfs/dbraw/zinc/11/82/90/551118290.db2.gz FPPCRGGIFAXKIL-UHFFFAOYSA-N 1 0 350.422 2.356 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000281893497 551154227 /nfs/dbraw/zinc/15/42/27/551154227.db2.gz UPEJTKMDCLSHAJ-HKUYNNGSSA-N 1 0 361.486 2.407 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)NC2CCN(c3nccs3)CC2)CC1 ZINC000281961742 551163040 /nfs/dbraw/zinc/16/30/40/551163040.db2.gz SXJDJYDCVXBEEB-UHFFFAOYSA-N 1 0 363.531 2.452 20 30 FEEDRO CN(CC[N@H+](C)C1CC1)S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000282296113 551208239 /nfs/dbraw/zinc/20/82/39/551208239.db2.gz LVVRDBFVCPXMNO-UHFFFAOYSA-N 1 0 361.389 2.292 20 30 FEEDRO C=CCS(=O)(=O)CC[NH2+][C@@H]1CC[C@H](C(=O)OCC)c2ccccc21 ZINC000282685072 551259649 /nfs/dbraw/zinc/25/96/49/551259649.db2.gz AHVUKAHJOSJAHS-DLBZAZTESA-N 1 0 351.468 2.359 20 30 FEEDRO COCCCn1nccc1CN1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000282805835 551272656 /nfs/dbraw/zinc/27/26/56/551272656.db2.gz NSKSDTYBBPGYLA-UHFFFAOYSA-N 1 0 367.497 2.499 20 30 FEEDRO C=C(C)Cn1c([C@H](C)CC)nnc1N1CCN(CC(=O)N2CCCC2)CC1 ZINC000282843148 551276759 /nfs/dbraw/zinc/27/67/59/551276759.db2.gz KWQYEKHSCRDXJA-QGZVFWFLSA-N 1 0 374.533 2.112 20 30 FEEDRO CC(C)[N@H+](C)Cc1ccccc1CNS(=O)(=O)N(C)[C@H](C)CC#N ZINC000282978642 551292650 /nfs/dbraw/zinc/29/26/50/551292650.db2.gz LVSPWBVKGDBRSP-OAHLLOKOSA-N 1 0 352.504 2.095 20 30 FEEDRO CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[NH+](C(C)C)CC1 ZINC000283599218 551394555 /nfs/dbraw/zinc/39/45/55/551394555.db2.gz YCRIRGMJADAYMH-UHFFFAOYSA-N 1 0 354.458 2.279 20 30 FEEDRO C=CCn1c(-c2cccnc2)nnc1N1CC[N@H+](CCOC)[C@H](CCC)C1 ZINC000283675183 551407436 /nfs/dbraw/zinc/40/74/36/551407436.db2.gz ZXSVFHLSFDRSMU-GOSISDBHSA-N 1 0 370.501 2.463 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCc2ccc(OCCC)cc2)CC1 ZINC000284021784 551469690 /nfs/dbraw/zinc/46/96/90/551469690.db2.gz KMPNFLBLIGBMBA-UHFFFAOYSA-N 1 0 373.497 2.248 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N[C@@H](CC)c1ccncc1)C(C)C ZINC000284179647 551499340 /nfs/dbraw/zinc/49/93/40/551499340.db2.gz UWRGCDZORKJKFW-RBUKOAKNSA-N 1 0 372.513 2.464 20 30 FEEDRO C=CCCCCCN(C)C(=O)C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000284532927 551571148 /nfs/dbraw/zinc/57/11/48/551571148.db2.gz RWPDZOKYZLSWJP-UHFFFAOYSA-N 1 0 372.513 2.367 20 30 FEEDRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)C(=O)NCCCCC#N)C1 ZINC000284554947 551576465 /nfs/dbraw/zinc/57/64/65/551576465.db2.gz TWWSLVQVLGIOSK-QGZVFWFLSA-N 1 0 370.497 2.345 20 30 FEEDRO C#CCN(C(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1c1cnn(C)c1)C1CC1 ZINC000284735876 551620685 /nfs/dbraw/zinc/62/06/85/551620685.db2.gz BZHRQUBWDAHQSX-RTWAWAEBSA-N 1 0 362.477 2.260 20 30 FEEDRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N(C)Cc2ccc(C#N)cc2)C1 ZINC000285276336 551730871 /nfs/dbraw/zinc/73/08/71/551730871.db2.gz ZQMHJAFSGWLNOC-INIZCTEOSA-N 1 0 370.497 2.143 20 30 FEEDRO CC(C)(C)c1nn(Cc2ccccc2)cc1C[NH2+]CCn1cnc(C#N)n1 ZINC000285379626 551746317 /nfs/dbraw/zinc/74/63/17/551746317.db2.gz CRJJPMMLVKCICC-UHFFFAOYSA-N 1 0 363.469 2.482 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)c2cn3ccc(Br)cc3n2)CC1 ZINC000285429062 551754985 /nfs/dbraw/zinc/75/49/85/551754985.db2.gz QXEIPSJNOPGUBC-UHFFFAOYSA-N 1 0 363.259 2.477 20 30 FEEDRO Cc1ccc(CN(CC[NH+](C)C)S(=O)(=O)CC2(C#N)CCCC2)o1 ZINC000498853408 561535880 /nfs/dbraw/zinc/53/58/80/561535880.db2.gz WYQKUWPASAVBJA-UHFFFAOYSA-N 1 0 353.488 2.365 20 30 FEEDRO CCC[NH+](CCC)CCCNC(=O)C(=O)N(C)Cc1ccc(C#N)cc1 ZINC000285643887 551788136 /nfs/dbraw/zinc/78/81/36/551788136.db2.gz VKQWKUXNOCNFJO-UHFFFAOYSA-N 1 0 358.486 2.145 20 30 FEEDRO N#Cc1ccc(N2CC[C@@H](C(=O)NC[C@@H]3CC[N@@H+](C4CC4)C3)C2)c(F)c1 ZINC000285941246 551829803 /nfs/dbraw/zinc/82/98/03/551829803.db2.gz HXZQLZVJEQKBGX-JKSUJKDBSA-N 1 0 356.445 2.124 20 30 FEEDRO C=CCC[C@@H]([NH2+]CCC(=O)N1CCN(c2ncccn2)CC1)c1ccco1 ZINC000286215033 551862312 /nfs/dbraw/zinc/86/23/12/551862312.db2.gz SEKHDUZDANBHIO-QGZVFWFLSA-N 1 0 369.469 2.405 20 30 FEEDRO N#Cc1ccccc1NC(=O)CC[N@@H+]1CC[C@H](C(F)(F)F)[C@H](CO)C1 ZINC000286294235 551870795 /nfs/dbraw/zinc/87/07/95/551870795.db2.gz CEHZIFIRUSXSQQ-KBPBESRZSA-N 1 0 355.360 2.380 20 30 FEEDRO COCC[NH+](CCOC)C1CCN(c2cc(C#N)ccc2[N+](=O)[O-])CC1 ZINC000286299625 551871451 /nfs/dbraw/zinc/87/14/51/551871451.db2.gz IFPBAOGQQZVFDT-UHFFFAOYSA-N 1 0 362.430 2.030 20 30 FEEDRO C[C@@H]1C[C@@H](N(C)C(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)CC[N@@H+]1C ZINC000286321928 551874292 /nfs/dbraw/zinc/87/42/92/551874292.db2.gz QAYSBBIERAPKKM-OIISXLGYSA-N 1 0 358.461 2.465 20 30 FEEDRO COC(=O)[C@]1(C(F)(F)F)CC[N@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000286631180 551908528 /nfs/dbraw/zinc/90/85/28/551908528.db2.gz SPMALPBIWGNSOR-INIZCTEOSA-N 1 0 369.343 2.314 20 30 FEEDRO C#CC[C@@H](Cc1ccccc1)NC(=O)NCCCC[NH+]1CCN(CC)CC1 ZINC000286703622 551916518 /nfs/dbraw/zinc/91/65/18/551916518.db2.gz RFHIJUOMZNGCBJ-NRFANRHFSA-N 1 0 370.541 2.338 20 30 FEEDRO N#Cc1ccc(NC(=O)CC[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](CO)C2)cc1 ZINC000286729846 551919701 /nfs/dbraw/zinc/91/97/01/551919701.db2.gz XQZKZEFRSAOXHL-DZGCQCFKSA-N 1 0 355.360 2.380 20 30 FEEDRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)NCc2cccc(C#N)c2)C1 ZINC000286975225 551946784 /nfs/dbraw/zinc/94/67/84/551946784.db2.gz OWOXIOMLVQYLFL-INIZCTEOSA-N 1 0 370.497 2.191 20 30 FEEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000287099793 551963427 /nfs/dbraw/zinc/96/34/27/551963427.db2.gz JCCXRLGKXRHOAB-QZTJIDSGSA-N 1 0 373.497 2.199 20 30 FEEDRO Cc1nc(C#N)c(N2CCC(C(=O)N3CC[C@@H]([NH+]4CCCC4)[C@H]3C)CC2)o1 ZINC000287176459 551973175 /nfs/dbraw/zinc/97/31/75/551973175.db2.gz OMGNPYUAZFLYQG-RDTXWAMCSA-N 1 0 371.485 2.156 20 30 FEEDRO N#Cc1cccnc1N1CC[NH+](C[C@H](O)Cc2cccc(Cl)c2)CC1 ZINC000287281908 551984704 /nfs/dbraw/zinc/98/47/04/551984704.db2.gz LUFFNCLZFVSPEK-GOSISDBHSA-N 1 0 356.857 2.332 20 30 FEEDRO CC[NH+](CC)[C@H]1CCN(C(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)C1 ZINC000287938714 552065779 /nfs/dbraw/zinc/06/57/79/552065779.db2.gz PVZWSOVGPOGVHI-IRXDYDNUSA-N 1 0 358.461 2.466 20 30 FEEDRO CC[NH+](CC)[C@@H]1CCN(C(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)C1 ZINC000287938710 552065829 /nfs/dbraw/zinc/06/58/29/552065829.db2.gz PVZWSOVGPOGVHI-DLBZAZTESA-N 1 0 358.461 2.466 20 30 FEEDRO COc1cc(C[N@@H+]2CC[C@H](Nc3nc(C)cc(C#N)n3)C2)cc(OC)c1 ZINC000287958335 552067713 /nfs/dbraw/zinc/06/77/13/552067713.db2.gz SQHGRLRHBJUBPL-HNNXBMFYSA-N 1 0 353.426 2.360 20 30 FEEDRO C#CC[C@@H](Cc1ccccc1)NC(=O)NCC1(O)CC[NH+](C(C)C)CC1 ZINC000287993149 552072384 /nfs/dbraw/zinc/07/23/84/552072384.db2.gz AXTTVGOWUYFIBZ-IBGZPJMESA-N 1 0 357.498 2.156 20 30 FEEDRO C#CCN(Cc1ccccc1)C(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000287995886 552072689 /nfs/dbraw/zinc/07/26/89/552072689.db2.gz QKFCKZXVXIYIIS-UHFFFAOYSA-N 1 0 366.465 2.367 20 30 FEEDRO C[C@@H](C[NH+](C)C)NC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000288045468 552080394 /nfs/dbraw/zinc/08/03/94/552080394.db2.gz DXAMJFWUOBOTMT-AWEZNQCLSA-N 1 0 366.421 2.355 20 30 FEEDRO Cc1nc(C#N)c(N2CCC(C(=O)N3C[C@H]([NH+]4CCCC4)C[C@H]3C)CC2)o1 ZINC000288301707 552128812 /nfs/dbraw/zinc/12/88/12/552128812.db2.gz IAYSUFRMOIADGY-RHSMWYFYSA-N 1 0 371.485 2.156 20 30 FEEDRO C=CCCCNC(=O)C(=O)N(CC[NH+](CC)CC)CCC(F)(F)F ZINC000288504645 552165255 /nfs/dbraw/zinc/16/52/55/552165255.db2.gz FHFQOFJKWSGFKU-UHFFFAOYSA-N 1 0 351.413 2.192 20 30 FEEDRO C#CC[C@H](Cc1ccccc1)NC(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000288518207 552167632 /nfs/dbraw/zinc/16/76/32/552167632.db2.gz PCDCIDRSDAJLEA-UYAOXDASSA-N 1 0 357.498 2.421 20 30 FEEDRO Cc1onc(CC(=O)NCc2ccc(OCC[NH+]3CCCC3)cc2)c1C#N ZINC000499979597 561563305 /nfs/dbraw/zinc/56/33/05/561563305.db2.gz PILWAZSDXOYLKI-UHFFFAOYSA-N 1 0 368.437 2.188 20 30 FEEDRO C=CCN1CC[C@H]([N@H+](C)C[C@H](O)COc2c(Cl)cccc2Cl)C1=O ZINC000499989558 561563551 /nfs/dbraw/zinc/56/35/51/561563551.db2.gz TZLAXEAMRPKJFN-WFASDCNBSA-N 1 0 373.280 2.452 20 30 FEEDRO C=CCN1CC[C@@H]([N@H+](C)C[C@@H](O)Cc2ccccc2C(F)(F)F)C1=O ZINC000500015348 561564083 /nfs/dbraw/zinc/56/40/83/561564083.db2.gz PHMBULARWRWZDF-GOEBONIOSA-N 1 0 356.388 2.328 20 30 FEEDRO N#CCOc1ccc(C[N@H+]2CCC[C@H](CNC(=O)C(F)(F)F)C2)cc1 ZINC000289365541 552308220 /nfs/dbraw/zinc/30/82/20/552308220.db2.gz APOFXDHBXIVEQO-CQSZACIVSA-N 1 0 355.360 2.479 20 30 FEEDRO COc1ccc([C@H](C[NH+]2CCCC2)NC(=O)Cc2noc(C)c2C#N)cc1 ZINC000500390596 561571414 /nfs/dbraw/zinc/57/14/14/561571414.db2.gz RQSTXMBELCXTDH-IBGZPJMESA-N 1 0 368.437 2.359 20 30 FEEDRO COc1ccc([C@@H](C[NH+]2CCCC2)NC(=O)c2cc(C#N)cn2C)cc1 ZINC000500408302 561571744 /nfs/dbraw/zinc/57/17/44/561571744.db2.gz JMSIGASTPLIFES-GOSISDBHSA-N 1 0 352.438 2.472 20 30 FEEDRO COc1ccc(C[C@H](CO)C[NH2+]Cc2ccc(OC)c(C#N)c2)cc1O ZINC000289481462 552328313 /nfs/dbraw/zinc/32/83/13/552328313.db2.gz QMSDRLNCGMSMHO-INIZCTEOSA-N 1 0 356.422 2.222 20 30 FEEDRO COCCN(CC[NH+](C)C)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000289571677 552342543 /nfs/dbraw/zinc/34/25/43/552342543.db2.gz ZSRDLSBTIBNHJU-UHFFFAOYSA-N 1 0 355.486 2.474 20 30 FEEDRO CCS[C@@H]1CCCC[C@@H]1[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000289630866 552352608 /nfs/dbraw/zinc/35/26/08/552352608.db2.gz BNXLKPPRAUBLES-LSDHHAIUSA-N 1 0 353.513 2.381 20 30 FEEDRO Cn1cc(C[N@H+](CCCN2CCOCC2)Cc2ccncc2)cc1C#N ZINC000289717974 552367219 /nfs/dbraw/zinc/36/72/19/552367219.db2.gz HBKSZLLMXYYKHF-UHFFFAOYSA-N 1 0 353.470 2.016 20 30 FEEDRO C=CCn1c(-c2ccc[nH]2)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC000290114546 552429570 /nfs/dbraw/zinc/42/95/70/552429570.db2.gz FVNDMCHRJKDJLL-HNNXBMFYSA-N 1 0 356.474 2.149 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCCc2ccc(S(N)(=O)=O)cc21 ZINC000290808067 552541837 /nfs/dbraw/zinc/54/18/37/552541837.db2.gz WBANVEHXDDTUHO-QGTPRVQTSA-N 1 0 350.484 2.282 20 30 FEEDRO C[C@H](NC(=O)C(=O)Nc1ccc(C#N)c(F)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000290859181 552551305 /nfs/dbraw/zinc/55/13/05/552551305.db2.gz RRXONABOZKOOQJ-DZGCQCFKSA-N 1 0 372.444 2.405 20 30 FEEDRO C=C[C@H](CO)NC(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000291024749 552577324 /nfs/dbraw/zinc/57/73/24/552577324.db2.gz OFBMCTJWYGGCPO-MRXNPFEDSA-N 1 0 351.878 2.398 20 30 FEEDRO N#Cc1ccc(N2CC[C@@H]([N@@H+]3CC[C@@](CO)(c4ccccc4)C3)C2=O)cc1 ZINC000291898659 552673005 /nfs/dbraw/zinc/67/30/05/552673005.db2.gz RBAYAXLORPXEKN-IFMALSPDSA-N 1 0 361.445 2.300 20 30 FEEDRO C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCN(c4ccc(C#N)cc4F)C3)C2)C1 ZINC000292048365 552688374 /nfs/dbraw/zinc/68/83/74/552688374.db2.gz AQUJZVONZCZWPG-OXQOHEQNSA-N 1 0 356.445 2.078 20 30 FEEDRO C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292312373 552714983 /nfs/dbraw/zinc/71/49/83/552714983.db2.gz VKWYBDKDNZUKFM-KSSFIOAISA-N 1 0 361.405 2.305 20 30 FEEDRO COC(=O)[C@@H]1CCCCN1CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000292664992 552747711 /nfs/dbraw/zinc/74/77/11/552747711.db2.gz OQXVWRFKZJKPFK-AWEZNQCLSA-N 1 0 361.467 2.465 20 30 FEEDRO N#Cc1ccc(O[C@H]2CCN(C(=O)NC[C@H]3CCCC[N@@H+]3C3CC3)C2)nc1 ZINC000292699909 552750694 /nfs/dbraw/zinc/75/06/94/552750694.db2.gz QOWUHHMDTPLMME-MSOLQXFVSA-N 1 0 369.469 2.133 20 30 FEEDRO N#Cc1ccc(N2CCC[C@@H]([NH+]3CCC4(CC3)OCCCO4)C2=O)cc1 ZINC000292972853 552776398 /nfs/dbraw/zinc/77/63/98/552776398.db2.gz KLHAOSYQFPUYEQ-GOSISDBHSA-N 1 0 355.438 2.283 20 30 FEEDRO C[C@H]1CN(C(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)CC[N@@H+](C2CCC2)C1 ZINC000293434506 552823267 /nfs/dbraw/zinc/82/32/67/552823267.db2.gz NZKKKTFWYVIVHO-CYBMUJFWSA-N 1 0 374.872 2.483 20 30 FEEDRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)C(=O)Nc3ccc(C#N)cc3Cl)C2)C1 ZINC000293530798 552832763 /nfs/dbraw/zinc/83/27/63/552832763.db2.gz ZNHJKKNQSIUUOO-GOSISDBHSA-N 1 0 360.845 2.094 20 30 FEEDRO CC(C)(C#N)CNC(=O)N1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000501855417 561606817 /nfs/dbraw/zinc/60/68/17/561606817.db2.gz NYRDFNPLCIPOIX-LJQANCHMSA-N 1 0 369.513 2.138 20 30 FEEDRO CC(C)(CCC#N)CNC(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000501859346 561606984 /nfs/dbraw/zinc/60/69/84/561606984.db2.gz WYWCTCWSYXJKSU-GOSISDBHSA-N 1 0 358.486 2.382 20 30 FEEDRO C=CCS(=O)(=O)CC[NH2+]Cc1ccc(C(=O)OCc2ccccc2)[nH]1 ZINC000294940249 552945877 /nfs/dbraw/zinc/94/58/77/552945877.db2.gz CRCYMHBKLQLTRG-UHFFFAOYSA-N 1 0 362.451 2.062 20 30 FEEDRO C[N@H+](CC#Cc1ccc(OC(F)(F)F)cc1)[C@H]1CCN2CCO[C@H]1C2 ZINC000295342581 552990475 /nfs/dbraw/zinc/99/04/75/552990475.db2.gz ICHNVQKTZWOSDT-IRXDYDNUSA-N 1 0 354.372 2.342 20 30 FEEDRO CC[NH+](CC)C[C@@H]1CCN(S(=O)(=O)Cc2ccc(F)cc2C#N)C1 ZINC000295352481 552992406 /nfs/dbraw/zinc/99/24/06/552992406.db2.gz YOZSIKGRSMTDRL-AWEZNQCLSA-N 1 0 353.463 2.191 20 30 FEEDRO COC1CC[NH+](C2(CNC(=O)COc3ccccc3C#N)CCCC2)CC1 ZINC000502433777 561618401 /nfs/dbraw/zinc/61/84/01/561618401.db2.gz WXGVRVDLTRIYAV-UHFFFAOYSA-N 1 0 371.481 2.477 20 30 FEEDRO C=CCn1c(-c2cnn(C)c2)nnc1N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC000296080346 553101662 /nfs/dbraw/zinc/10/16/62/553101662.db2.gz XGIFKXUSZMIXEI-OAHLLOKOSA-N 1 0 355.490 2.175 20 30 FEEDRO C#Cc1ccc(CNC(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)cc1 ZINC000297037476 553245042 /nfs/dbraw/zinc/24/50/42/553245042.db2.gz XBKRSOBDINVIGD-VQTJNVASSA-N 1 0 355.482 2.235 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)NCc2noc(-c3ccccc3C)n2)CC1 ZINC000297494210 553299694 /nfs/dbraw/zinc/29/96/94/553299694.db2.gz AXCJTWLFMQINIC-UHFFFAOYSA-N 1 0 355.442 2.495 20 30 FEEDRO N#Cc1ccc(CN2CCN(C(=O)NCc3ccc4c[nH+]cn4c3)CC2)cc1 ZINC000297629391 553317734 /nfs/dbraw/zinc/31/77/34/553317734.db2.gz HPDAMDYRFYPDEH-UHFFFAOYSA-N 1 0 374.448 2.233 20 30 FEEDRO COC(=O)[C@@H]1CCCCC[C@@H]1[NH2+][C@@H]1CCN(c2sccc2C#N)C1=O ZINC000298051846 553377594 /nfs/dbraw/zinc/37/75/94/553377594.db2.gz FKCIOHXKEWSVSA-QLFBSQMISA-N 1 0 361.467 2.437 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCC(C(=O)N(C)C)CC1)C(C)C ZINC000503410640 561640812 /nfs/dbraw/zinc/64/08/12/561640812.db2.gz XMIPPDLZCYULGF-SFHVURJKSA-N 1 0 364.534 2.195 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCN(C(=O)C(C)C)CC1)C(C)C ZINC000503439256 561641359 /nfs/dbraw/zinc/64/13/59/561641359.db2.gz QWVYXGIKSJDRBS-SFHVURJKSA-N 1 0 364.534 2.195 20 30 FEEDRO C[C@@H](C(=O)N(C)CCC#N)N(C)C[C@@H](O)c1cccc(Br)c1 ZINC000298542550 553438014 /nfs/dbraw/zinc/43/80/14/553438014.db2.gz XPOPJOTYWMDADP-SWLSCSKDSA-N 1 0 368.275 2.175 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N2CCN(c3ccc4ccccc4n3)CC2)CC1 ZINC000299162662 553523573 /nfs/dbraw/zinc/52/35/73/553523573.db2.gz SCSYWSTXCAUWPV-UHFFFAOYSA-N 1 0 362.477 2.229 20 30 FEEDRO CC(=O)CCc1ccc(OCC(=O)N(CCC#N)CCC[NH+](C)C)cc1 ZINC000299605047 553587508 /nfs/dbraw/zinc/58/75/08/553587508.db2.gz GSSAOVNUIVNGCB-UHFFFAOYSA-N 1 0 359.470 2.281 20 30 FEEDRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(c2ccc([N+](=O)[O-])cc2C#N)CC1 ZINC000299640899 553594111 /nfs/dbraw/zinc/59/41/11/553594111.db2.gz DNPDORPQTCOFBD-IYBDPMFKSA-N 1 0 357.458 2.461 20 30 FEEDRO C=CCCO[C@@H](C)C(=O)NCc1ccc(OCC[NH+](C)C)c(OC)c1 ZINC000299702000 553603490 /nfs/dbraw/zinc/60/34/90/553603490.db2.gz FGRKCCJJLACDDS-HNNXBMFYSA-N 1 0 350.459 2.233 20 30 FEEDRO N#Cc1ccccc1-c1ccc(C[NH+]2CCC3(CC2)NC(=O)NC3=O)cc1 ZINC000299730540 553609028 /nfs/dbraw/zinc/60/90/28/553609028.db2.gz WUXWNUCEWZSUJA-UHFFFAOYSA-N 1 0 360.417 2.399 20 30 FEEDRO C[N@H+](Cc1ccccc1)C1CN(C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000504672620 561661126 /nfs/dbraw/zinc/66/11/26/561661126.db2.gz BLOYVONHVDCRSU-FQEVSTJZSA-N 1 0 351.450 2.114 20 30 FEEDRO N#Cc1ccnc(NCCC[NH+]2CCN(c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000301658403 553669735 /nfs/dbraw/zinc/66/97/35/553669735.db2.gz SRGCLCUVOGDFFN-UHFFFAOYSA-N 1 0 366.425 2.486 20 30 FEEDRO C[C@@H]1CN(c2c(C#N)cnc3ccc(OC(F)F)cc32)CC[N@@H+]1CCO ZINC000302474335 553717885 /nfs/dbraw/zinc/71/78/85/553717885.db2.gz WMCUVCTZDGXBNN-GFCCVEGCSA-N 1 0 362.380 2.211 20 30 FEEDRO C=CC[C@H](CO)CNC(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000505379595 561670194 /nfs/dbraw/zinc/67/01/94/561670194.db2.gz LSOMKWUDSVMSLW-KRWDZBQOSA-N 1 0 361.486 2.143 20 30 FEEDRO CC[NH+]1CCN([C@@H](C)CNc2cc(C#N)c(Br)cn2)CC1 ZINC000603285257 553754434 /nfs/dbraw/zinc/75/44/34/553754434.db2.gz YGTLZQZTKUQATE-LBPRGKRZSA-N 1 0 352.280 2.154 20 30 FEEDRO C[C@H]1CCC[C@@](C[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)(N(C)C)C1 ZINC000327064713 553785769 /nfs/dbraw/zinc/78/57/69/553785769.db2.gz YJJBUILXCXHNFO-QFBILLFUSA-N 1 0 363.527 2.432 20 30 FEEDRO O=C(N[C@@H]1CCOC2(CCC2)C1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000328693162 553808293 /nfs/dbraw/zinc/80/82/93/553808293.db2.gz FNZICYHNCDFXTA-DLBZAZTESA-N 1 0 351.491 2.046 20 30 FEEDRO Cc1nn(C(F)F)c(C)c1CC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000328712283 553810763 /nfs/dbraw/zinc/81/07/63/553810763.db2.gz NIQRPQKDOHVBPF-UHFFFAOYSA-N 1 0 357.449 2.420 20 30 FEEDRO C[N@@H+]1CCN(CCNC(=O)c2csc([C@H]3CCCO3)n2)CC1(C)C ZINC000328718274 553811632 /nfs/dbraw/zinc/81/16/32/553811632.db2.gz PSUSCCJZXAXAAQ-CQSZACIVSA-N 1 0 352.504 2.325 20 30 FEEDRO C[C@H](C(=O)NC(=O)NC1CCCCC1)N1CC[C@@H](N2CCCC2=O)C1 ZINC000328815799 553826699 /nfs/dbraw/zinc/82/66/99/553826699.db2.gz CQEFLUHJDDXSFC-UKRRQHHQSA-N 1 0 350.463 2.275 20 30 FEEDRO C[N@@H+]1CC[C@H](NC(=O)N2CCn3c(nnc3C3CC3)C2)[C@H]1c1ccccc1 ZINC000328818799 553827287 /nfs/dbraw/zinc/82/72/87/553827287.db2.gz HVWIHKTXPKWVTO-FUHWJXTLSA-N 1 0 366.469 2.331 20 30 FEEDRO Cn1cc(CN2CCN(CC(=O)NC34CC5CC(CC(C5)C3)C4)CC2)cn1 ZINC000328817995 553827342 /nfs/dbraw/zinc/82/73/42/553827342.db2.gz OEYUMGMPEJCAPP-UHFFFAOYSA-N 1 0 371.529 2.463 20 30 FEEDRO CC(C)(C)N1C[C@H](C(=O)NC[C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)CC1=O ZINC000328838145 553830481 /nfs/dbraw/zinc/83/04/81/553830481.db2.gz NPYVDOCXYMSDEH-FGTMMUONSA-N 1 0 373.497 2.225 20 30 FEEDRO C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@@H+]1CCC[C@@H]1[C@@H]1COCC[C@@H]1O ZINC000328850045 553832417 /nfs/dbraw/zinc/83/24/17/553832417.db2.gz WISYWWYSDWRBGK-HMDCTGQHSA-N 1 0 367.490 2.297 20 30 FEEDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C ZINC000505930582 561685607 /nfs/dbraw/zinc/68/56/07/561685607.db2.gz PSSBKGAMPCNLKM-CLCXKQKWSA-N 1 0 351.491 2.485 20 30 FEEDRO COc1ccc2c(c1)OC[C@H](NC(=O)N1CCC[C@@H]1C[NH+]1CCCC1)C2 ZINC000328987060 553859632 /nfs/dbraw/zinc/85/96/32/553859632.db2.gz HGQWJLGVFJSKKT-IAGOWNOFSA-N 1 0 359.470 2.473 20 30 FEEDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1CC(=O)NCc1ccccc1CN1CCCC1=O ZINC000329002989 553862467 /nfs/dbraw/zinc/86/24/67/553862467.db2.gz LSLQUJGHXZDCMY-IAGOWNOFSA-N 1 0 372.513 2.290 20 30 FEEDRO C[NH+]1CCC2(CCCN2S(=O)(=O)Cc2cc(C#N)ccc2F)CC1 ZINC000329015093 553865119 /nfs/dbraw/zinc/86/51/19/553865119.db2.gz PYJDDOIWFSXMNS-UHFFFAOYSA-N 1 0 351.447 2.087 20 30 FEEDRO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N[C@@H]1CC(=O)N(C2CC2)[C@H]1c1ccnn1C ZINC000329035643 553868538 /nfs/dbraw/zinc/86/85/38/553868538.db2.gz YNLQZTREMVKOKL-DZDCQFRTSA-N 1 0 359.474 2.054 20 30 FEEDRO C[NH+]1CCC2(CCCN2C(=O)Nc2cnn(CC(=O)NC3CC3)c2)CC1 ZINC000329068498 553874711 /nfs/dbraw/zinc/87/47/11/553874711.db2.gz MKGOJAYGFWNAPR-UHFFFAOYSA-N 1 0 360.462 2.108 20 30 FEEDRO CC(=O)N1CCC[C@](O)(C(=O)NC[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)C1 ZINC000329082488 553876967 /nfs/dbraw/zinc/87/69/67/553876967.db2.gz SDBSAYBIMYCDEX-NHCUHLMSSA-N 1 0 373.497 2.371 20 30 FEEDRO CC(C)[C@@H]1C[C@H](NC(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)CCO1 ZINC000329103279 553881077 /nfs/dbraw/zinc/88/10/77/553881077.db2.gz BZWRXQVJPCVLAI-NXHRZFHOSA-N 1 0 353.507 2.195 20 30 FEEDRO C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCO[C@@]3(CCOC3)C2)C[N@@H+]1Cc1ccccc1 ZINC000329112261 553882448 /nfs/dbraw/zinc/88/24/48/553882448.db2.gz KMBZPFOUNMSATF-RBAQFSTRSA-N 1 0 373.497 2.491 20 30 FEEDRO CCn1ccnc1[C@H]1OCC[C@@H]1NC(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000329130969 553885850 /nfs/dbraw/zinc/88/58/50/553885850.db2.gz ORMDSTKSFDVHQD-IKGGRYGDSA-N 1 0 363.506 2.357 20 30 FEEDRO Cc1nn(C)c(C)c1NC(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000329138945 553887615 /nfs/dbraw/zinc/88/76/15/553887615.db2.gz IORDYOMCYUGNJE-HUUCEWRRSA-N 1 0 362.522 2.073 20 30 FEEDRO CC(C)c1ncc(C(=O)NC2CC[NH+]([C@H]3CCN(C)C3=O)CC2)s1 ZINC000329152381 553890095 /nfs/dbraw/zinc/89/00/95/553890095.db2.gz BFMLBPZDNFTAHC-ZDUSSCGKSA-N 1 0 350.488 2.266 20 30 FEEDRO CC(C)c1ncc(C(=O)NC2CC[NH+]([C@@H]3CCN(C)C3=O)CC2)s1 ZINC000329152380 553890413 /nfs/dbraw/zinc/89/04/13/553890413.db2.gz BFMLBPZDNFTAHC-CYBMUJFWSA-N 1 0 350.488 2.266 20 30 FEEDRO CN1CC[C@@H]([NH+]2CCC(NC(=O)c3ccccc3OCC3CC3)CC2)C1=O ZINC000329158268 553891241 /nfs/dbraw/zinc/89/12/41/553891241.db2.gz DKGWGZLHKANTOJ-GOSISDBHSA-N 1 0 371.481 2.475 20 30 FEEDRO CCOc1cccc(N2CCN(C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@@H]34)CC2)n1 ZINC000329164144 553892773 /nfs/dbraw/zinc/89/27/73/553892773.db2.gz GTEFYMUHVIUYSO-SJORKVTESA-N 1 0 373.501 2.143 20 30 FEEDRO C[C@H](C(=O)NCc1ccccc1Cl)N1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000329182217 553897396 /nfs/dbraw/zinc/89/73/96/553897396.db2.gz OLPQWHLJZFHKEX-OSAQELSMSA-N 1 0 356.875 2.304 20 30 FEEDRO O=C(CC[NH+]1CCC([C@H](O)C(=O)NC2CC2)CC1)N1CCc2ccccc21 ZINC000329189665 553898626 /nfs/dbraw/zinc/89/86/26/553898626.db2.gz PUSRPJHHFQUDAO-FQEVSTJZSA-N 1 0 371.481 2.158 20 30 FEEDRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N[C@@H]1CCO[C@]2(CCOC2)C1 ZINC000329212947 553903580 /nfs/dbraw/zinc/90/35/80/553903580.db2.gz IRDXATKENWDPGH-YVWKXTFCSA-N 1 0 361.486 2.349 20 30 FEEDRO C[C@@H]1C[C@H](N2CCOCC2)CN1C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000329253574 553911532 /nfs/dbraw/zinc/91/15/32/553911532.db2.gz ZGHHYRYRWOIEKK-ICUGJSFKSA-N 1 0 363.502 2.043 20 30 FEEDRO C[C@@H]1CCC[C@H](NC(=O)CCN2CCN(C(=O)[C@@H]3CCCO3)CC2)[C@@H]1C ZINC000329253733 553911660 /nfs/dbraw/zinc/91/16/60/553911660.db2.gz ZIVXOAQSHVCBOJ-BDXSIMOUSA-N 1 0 365.518 2.481 20 30 FEEDRO CN(C(=O)CNC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21)C1CCCCC1 ZINC000329262064 553912697 /nfs/dbraw/zinc/91/26/97/553912697.db2.gz DFMPZDKAPBVRPZ-DOTOQJQBSA-N 1 0 350.507 2.108 20 30 FEEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)NC[C@@H]2CC(=O)N(C3CC3)C2)C1 ZINC000329264238 553913756 /nfs/dbraw/zinc/91/37/56/553913756.db2.gz BUCPQHYLVAKFDD-RYRKJORJSA-N 1 0 370.497 2.336 20 30 FEEDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1ccc(C(=O)N2CCOCC2)cc1 ZINC000329284036 553917777 /nfs/dbraw/zinc/91/77/77/553917777.db2.gz FWZNGNDSRDKRPP-SFHVURJKSA-N 1 0 374.485 2.359 20 30 FEEDRO CC[C@H]1CN(C(=O)Nc2cccc3c2OCCC3=O)C[C@@H]1N1CCOCC1 ZINC000329355583 553930446 /nfs/dbraw/zinc/93/04/46/553930446.db2.gz VUHRNGMWACADDK-YOEHRIQHSA-N 1 0 373.453 2.240 20 30 FEEDRO CN1CC[N@H+](C)C[C@H]1CNC(=O)c1ccc(CNC(=O)C2CCCC2)cc1 ZINC000329366953 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FEEDRO CC1CC[NH+](Cc2ccccc2CNC(=O)CN2CCOCC2=O)CC1 ZINC000329825884 554012902 /nfs/dbraw/zinc/01/29/02/554012902.db2.gz CCFRXLZXZPBQML-UHFFFAOYSA-N 1 0 359.470 2.234 20 30 FEEDRO CCc1nc(C)c([C@H](C)N(C)C(=O)NC[C@H]2C[N@H+](C)CCN2C)s1 ZINC000329824417 554013301 /nfs/dbraw/zinc/01/33/01/554013301.db2.gz ZYKNRLLLITXMOV-KBPBESRZSA-N 1 0 353.536 2.167 20 30 FEEDRO C[C@@H]1[C@H](C)N(C(=O)Nc2cnn(CC(=O)NC3CCCC3)c2)CC[N@H+]1C ZINC000329844003 554017870 /nfs/dbraw/zinc/01/78/70/554017870.db2.gz OHNGRLRHBODXPX-KGLIPLIRSA-N 1 0 362.478 2.352 20 30 FEEDRO CNC(=O)N[C@H]1CCN(Cc2nnc(-c3cc4c(s3)CCCC4)o2)C1 ZINC000329856160 554019779 /nfs/dbraw/zinc/01/97/79/554019779.db2.gz XXYMSOCJGLBUPL-LBPRGKRZSA-N 1 0 361.471 2.385 20 30 FEEDRO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CCN(CC(=O)NC2CCCCC2)CC1 ZINC000329870711 554022544 /nfs/dbraw/zinc/02/25/44/554022544.db2.gz BWCOFCOOBWEYHD-IAGOWNOFSA-N 1 0 364.534 2.293 20 30 FEEDRO Cn1nc(CC(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)c2ccccc2c1=O ZINC000329895539 554026514 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COc1ccc([C@H](C)NC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)cc1F ZINC000330163317 554076742 /nfs/dbraw/zinc/07/67/42/554076742.db2.gz ASEYOAOGLNVOOK-LSDHHAIUSA-N 1 0 365.449 2.463 20 30 FEEDRO CCn1cc(-c2n[nH]cc2C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)cn1 ZINC000330220596 554087735 /nfs/dbraw/zinc/08/77/35/554087735.db2.gz KYADVMOCLOXQSA-CQSZACIVSA-N 1 0 372.473 2.099 20 30 FEEDRO O=C(Nc1cccc(N2CCS(=O)(=O)CC2)c1)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000330242065 554091757 /nfs/dbraw/zinc/09/17/57/554091757.db2.gz FZKNQYFRFUZWGZ-KRWDZBQOSA-N 1 0 363.483 2.136 20 30 FEEDRO Cc1noc(C)c1[C@H](C)CNC(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000330254073 554093364 /nfs/dbraw/zinc/09/33/64/554093364.db2.gz JHAFHYLTWIQENV-ZIAGYGMSSA-N 1 0 364.490 2.494 20 30 FEEDRO C[C@H](CC#N)N(C)S(=O)(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000330409226 554117910 /nfs/dbraw/zinc/11/79/10/554117910.db2.gz JYTRTDQFFOZWSC-AEFFLSMTSA-N 1 0 364.515 2.109 20 30 FEEDRO CC[NH+](CC)C[C@H](C)NC(=O)N1CCN(C(=O)C2CCCCC2)CC1 ZINC000330481457 554126858 /nfs/dbraw/zinc/12/68/58/554126858.db2.gz PJKDVQAQIIKWAO-INIZCTEOSA-N 1 0 352.523 2.355 20 30 FEEDRO COC(=O)CC1CC[NH+]([C@@H](C)C(=O)NC(=O)NC2CCCCC2)CC1 ZINC000330530259 554134187 /nfs/dbraw/zinc/13/41/87/554134187.db2.gz AOBWARLFHIMCBM-ZDUSSCGKSA-N 1 0 353.463 2.013 20 30 FEEDRO COC(=O)CC1CC[NH+]([C@H](C)C(=O)NC(=O)NC2CCCCC2)CC1 ZINC000330530257 554134409 /nfs/dbraw/zinc/13/44/09/554134409.db2.gz AOBWARLFHIMCBM-CYBMUJFWSA-N 1 0 353.463 2.013 20 30 FEEDRO CC[NH+](CC)CCCNC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000508038969 561749363 /nfs/dbraw/zinc/74/93/63/561749363.db2.gz WPXZHIHIZKUSFL-GOSISDBHSA-N 1 0 371.485 2.085 20 30 FEEDRO CC(C)C(=O)NC1CCN(C(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC000330632264 554148847 /nfs/dbraw/zinc/14/88/47/554148847.db2.gz HSZWQRZCGVGWDW-INIZCTEOSA-N 1 0 352.523 2.257 20 30 FEEDRO CCOc1ccccc1CN1CCN(C(=O)c2cnn(C)c2C#N)[C@@H](C)C1 ZINC000508313702 561758566 /nfs/dbraw/zinc/75/85/66/561758566.db2.gz BOEZYWHGJJZPQW-HNNXBMFYSA-N 1 0 367.453 2.037 20 30 FEEDRO CC(C)NS(=O)(=O)c1cccc(C(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000330917213 554187991 /nfs/dbraw/zinc/18/79/91/554187991.db2.gz VYSQJPVOHGVCOU-DZGCQCFKSA-N 1 0 353.488 2.161 20 30 FEEDRO CC(C)CNC(=O)NC(=O)C[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@H](C)CC[C@@H]1O ZINC000330915034 554187980 /nfs/dbraw/zinc/18/79/80/554187980.db2.gz JPANFDYLQPKRJM-TWMKSMIVSA-N 1 0 353.507 2.324 20 30 FEEDRO CCCCNC(=O)NC(=O)C[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@H](C)CC[C@H]1O ZINC000330920442 554188553 /nfs/dbraw/zinc/18/85/53/554188553.db2.gz PESBDFJDMHPLCZ-YYIAUSFCSA-N 1 0 353.507 2.468 20 30 FEEDRO CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@@H]2CCC[C@@H](C(=O)NC(C)C)C2)C1 ZINC000330983647 554197364 /nfs/dbraw/zinc/19/73/64/554197364.db2.gz OTQXMFZTUHUGRC-BRWVUGGUSA-N 1 0 352.523 2.400 20 30 FEEDRO CC(C)NC(=O)NC1(C(=O)N[C@H](C)C2=CC[N@H+](C)CC2)CCCCC1 ZINC000331022930 554202936 /nfs/dbraw/zinc/20/29/36/554202936.db2.gz TXLHBQDEMFCDAK-OAHLLOKOSA-N 1 0 350.507 2.368 20 30 FEEDRO Cc1c(CNC(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000331085126 554210678 /nfs/dbraw/zinc/21/06/78/554210678.db2.gz CHHXVUQVHMUHAN-ZDUSSCGKSA-N 1 0 364.446 2.094 20 30 FEEDRO CC[C@@H]1CN(C(=O)Nc2cc(NC(C)=O)ccc2F)CC[N@@H+]1C[C@H](C)O ZINC000331128382 554217988 /nfs/dbraw/zinc/21/79/88/554217988.db2.gz IGHGUVRYBXQJBY-SWLSCSKDSA-N 1 0 366.437 2.107 20 30 FEEDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CC[C@@H](CS(C)(=O)=O)C2)C1 ZINC000331181307 554226911 /nfs/dbraw/zinc/22/69/11/554226911.db2.gz XCJUQMHFIXCGIF-HZPDHXFCSA-N 1 0 373.563 2.168 20 30 FEEDRO CC[C@@H]1CN(C(=O)Nc2cc(C)c(N(C)C)cc2C#N)CC[N@@H+]1C[C@H](C)O ZINC000331236931 554234579 /nfs/dbraw/zinc/23/45/79/554234579.db2.gz HGAHYLIFGZDOMQ-DOTOQJQBSA-N 1 0 373.501 2.242 20 30 FEEDRO C=CCn1c(C2CC2)nnc1N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000508833953 561774461 /nfs/dbraw/zinc/77/44/61/561774461.db2.gz RHFLQHFRZPGBRO-IRXDYDNUSA-N 1 0 358.534 2.336 20 30 FEEDRO C=CCn1c(-c2ccoc2)nnc1N1CCN(c2cc[nH+]cc2OC)CC1 ZINC000508866583 561776026 /nfs/dbraw/zinc/77/60/26/561776026.db2.gz LRJDEYMHPULOES-UHFFFAOYSA-N 1 0 366.425 2.454 20 30 FEEDRO C=CCn1c([C@H](C)OCCOC)nnc1N1CCC([NH+]2CCCC2)CC1 ZINC000508916753 561778131 /nfs/dbraw/zinc/77/81/31/561778131.db2.gz HZBPOOKENIRFCT-INIZCTEOSA-N 1 0 363.506 2.253 20 30 FEEDRO C=CCn1c([C@@H]2OCC[C@@H]2C)nnc1N1CC[N@H+](CCOC)[C@@H](CC)C1 ZINC000509015219 561781444 /nfs/dbraw/zinc/78/14/44/561781444.db2.gz USMSLWROOBDYEA-YESZJQIVSA-N 1 0 363.506 2.109 20 30 FEEDRO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)C1 ZINC000331613964 554295018 /nfs/dbraw/zinc/29/50/18/554295018.db2.gz KKDLTLQVHFYTLB-ATZDWAIDSA-N 1 0 356.470 2.370 20 30 FEEDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)C1CCN(c2ccc(C#N)cc2F)CC1 ZINC000332339585 554428419 /nfs/dbraw/zinc/42/84/19/554428419.db2.gz DRTHUUDZRHBDPM-HUUCEWRRSA-N 1 0 358.461 2.465 20 30 FEEDRO C=CC[C@@H]1N(C(=O)C(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)CCCC1(C)C ZINC000332412700 554441669 /nfs/dbraw/zinc/44/16/69/554441669.db2.gz OXTFPFNUFTXAEA-BZSNNMDCSA-N 1 0 361.530 2.428 20 30 FEEDRO CC[C@H](C)[NH2+][C@@H](CNS(=O)(=O)N(CC)C[C@@H](C)C#N)c1ccco1 ZINC000510417182 561833914 /nfs/dbraw/zinc/83/39/14/561833914.db2.gz VGVCQJCMHMUNIE-KKUMJFAQSA-N 1 0 356.492 2.025 20 30 FEEDRO C[C@H]1CN(C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)[C@@H](C)C[NH2+]1 ZINC000333584571 554625604 /nfs/dbraw/zinc/62/56/04/554625604.db2.gz AMYMJVWHWXYKFD-JCAIJIATSA-N 1 0 357.458 2.035 20 30 FEEDRO CC(C)[NH+]1CCC(N2CCN(C(=O)[C@]3(C#N)CC34CCCC4)CC2)CC1 ZINC000333623247 554628498 /nfs/dbraw/zinc/62/84/98/554628498.db2.gz YWIJZPRNKRLDPN-OAQYLSRUSA-N 1 0 358.530 2.477 20 30 FEEDRO CC[N@@H+]1CCN(C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)C[C@@H]1C ZINC000611599745 554652434 /nfs/dbraw/zinc/65/24/34/554652434.db2.gz JPAXYXOEAZJANQ-ZDUSSCGKSA-N 1 0 356.405 2.441 20 30 FEEDRO C=CCOC[C@@H]1NC(=O)N([C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)C1=O ZINC000348626837 554692487 /nfs/dbraw/zinc/69/24/87/554692487.db2.gz SWPDYTYHOFOLFE-NJAFHUGGSA-N 1 0 357.454 2.020 20 30 FEEDRO C[C@H]1C[NH+](CC2CCN(C(=O)COc3ccc(C#N)cc3)CC2)C[C@H](C)O1 ZINC000362431166 554971910 /nfs/dbraw/zinc/97/19/10/554971910.db2.gz SRGPXNDVGZADKE-IRXDYDNUSA-N 1 0 371.481 2.285 20 30 FEEDRO N#C[C@@H]1CN(C(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)CCN1C1CC1 ZINC000362983765 555004763 /nfs/dbraw/zinc/00/47/63/555004763.db2.gz KPENPRPXBDAAGT-UXHICEINSA-N 1 0 367.497 2.205 20 30 FEEDRO COc1cc(/C=C/C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)ccc1OCC#N ZINC000363007285 555008919 /nfs/dbraw/zinc/00/89/19/555008919.db2.gz FXJOKFLKEZHBPP-SLLSNFPASA-N 1 0 355.438 2.354 20 30 FEEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000363147209 555040563 /nfs/dbraw/zinc/04/05/63/555040563.db2.gz PNSKCTIEQIGORJ-MRXNPFEDSA-N 1 0 356.470 2.295 20 30 FEEDRO CC[NH+](CC)CCCNC(=O)[C@@H]1CCCN(c2nc(C)ccc2C#N)C1 ZINC000363307865 555075360 /nfs/dbraw/zinc/07/53/60/555075360.db2.gz WQZOYNOJPJQMNJ-GOSISDBHSA-N 1 0 357.502 2.326 20 30 FEEDRO C=CCN(C(=O)c1cc(C(N)=O)c[nH]1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000363311298 555075801 /nfs/dbraw/zinc/07/58/01/555075801.db2.gz UIHWOBARZQEZBT-QGZVFWFLSA-N 1 0 352.438 2.016 20 30 FEEDRO C[C@H](C(=O)NC1CCN(c2ccc(C#N)cn2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000363384685 555091494 /nfs/dbraw/zinc/09/14/94/555091494.db2.gz OCIUGFCZBUQPLV-BZUAXINKSA-N 1 0 355.486 2.300 20 30 FEEDRO COc1cc(C#N)ccc1CN1CCCN(C(=O)c2ccccn2)CC1 ZINC000363486513 555117804 /nfs/dbraw/zinc/11/78/04/555117804.db2.gz DSLAGAZVXOHRNU-UHFFFAOYSA-N 1 0 350.422 2.310 20 30 FEEDRO COc1cc(C#N)ccc1OCC[NH+]1CCC(c2nnc3n2CCC3)CC1 ZINC000363552495 555135645 /nfs/dbraw/zinc/13/56/45/555135645.db2.gz CDRSPPILNNYSLD-UHFFFAOYSA-N 1 0 367.453 2.363 20 30 FEEDRO CC[N@H+](CCNC(=O)[C@@H]1CCCN(c2nc(C)ccc2C#N)C1)C1CC1 ZINC000363588290 555142610 /nfs/dbraw/zinc/14/26/10/555142610.db2.gz FYJVANJDLOYGSS-QGZVFWFLSA-N 1 0 355.486 2.079 20 30 FEEDRO C[N@H+](Cc1ccc(F)c(C#N)c1)C1CCN(CC(=O)N2CCCC2)CC1 ZINC000363929291 555216334 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2.452 20 30 FEEDRO N#Cc1ncccc1S(=O)(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000364348925 555296389 /nfs/dbraw/zinc/29/63/89/555296389.db2.gz BBDIVZGBIZGDCC-UHFFFAOYSA-N 1 0 362.499 2.276 20 30 FEEDRO C#CCn1ccc(CN(CC)C(=O)[C@@]2([NH+](C)C)CCc3ccccc32)n1 ZINC000364445752 555315735 /nfs/dbraw/zinc/31/57/35/555315735.db2.gz GWMRYVHXOYJXGR-OAQYLSRUSA-N 1 0 350.466 2.268 20 30 FEEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCCC2(CC[NH2+]CC2)C1 ZINC000364557523 555337435 /nfs/dbraw/zinc/33/74/35/555337435.db2.gz FWAMIQMYJYFMTD-UHFFFAOYSA-N 1 0 356.470 2.201 20 30 FEEDRO C=CCSCCNC(=O)N1CCC[C@@H](N(C)Cc2noc(C)n2)CC1 ZINC000364718921 555385002 /nfs/dbraw/zinc/38/50/02/555385002.db2.gz YATRCLNPGDONRF-OAHLLOKOSA-N 1 0 367.519 2.293 20 30 FEEDRO N#Cc1cc(F)cc(C2(C(=O)N3CCC[C@H](C[NH+]4CCOCC4)C3)CC2)c1 ZINC000512693779 561912617 /nfs/dbraw/zinc/91/26/17/561912617.db2.gz PQHYTIHWPZKBTD-MRXNPFEDSA-N 1 0 371.456 2.300 20 30 FEEDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC(=O)N1Cc1cccc(C#N)c1 ZINC000365030932 555469294 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C=CCN(C(=O)COC[C@@H]1CCOC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000365325902 555543484 /nfs/dbraw/zinc/54/34/84/555543484.db2.gz JFDDQNRPUFZHHC-UXHICEINSA-N 1 0 358.482 2.329 20 30 FEEDRO N#Cc1ccccc1N1CCC[C@H](NC(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)C1 ZINC000365712444 555648306 /nfs/dbraw/zinc/64/83/06/555648306.db2.gz OROKQXSTWRSTRF-RBUKOAKNSA-N 1 0 365.481 2.183 20 30 FEEDRO C[NH+]1CCC(n2ccc(=NC(=O)c3cccc(SCC#N)c3)[nH]2)CC1 ZINC000365884296 555692553 /nfs/dbraw/zinc/69/25/53/555692553.db2.gz UAFBBDRSYTXQEU-UHFFFAOYSA-N 1 0 355.467 3.018 20 30 FEEDRO C[C@H]([NH2+][C@H]1CCN(CCN2CCOCC2)C1)c1ccc(C#N)cc1Cl ZINC000366013881 555727492 /nfs/dbraw/zinc/72/74/92/555727492.db2.gz YNCDNSXYRWUETR-RDJZCZTQSA-N 1 0 362.905 2.269 20 30 FEEDRO Cc1c(C#N)cccc1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000513608540 561944344 /nfs/dbraw/zinc/94/43/44/561944344.db2.gz JKAOWUNEWSYQDW-CTNGQTDRSA-N 1 0 363.461 2.480 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cccc3c2OCCC3)CC1 ZINC000366163521 555769110 /nfs/dbraw/zinc/76/91/10/555769110.db2.gz VWGVYHCOJBFONZ-UHFFFAOYSA-N 1 0 357.454 2.107 20 30 FEEDRO Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)[NH+]1CCC(n2cnc(C#N)n2)CC1 ZINC000366370441 555824599 /nfs/dbraw/zinc/82/45/99/555824599.db2.gz BWRDDIZRJABQPP-JKSUJKDBSA-N 1 0 366.469 2.361 20 30 FEEDRO C[C@@H](NC(=O)[C@@H](C)[NH+]1CCC(n2cnc(C#N)n2)CC1)c1ccccc1 ZINC000366379948 555827708 /nfs/dbraw/zinc/82/77/08/555827708.db2.gz GKMKAKYDQRAUAB-HUUCEWRRSA-N 1 0 352.442 2.053 20 30 FEEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000366559141 555875352 /nfs/dbraw/zinc/87/53/52/555875352.db2.gz IBQJHTNDUUQJAQ-UHFFFAOYSA-N 1 0 357.502 2.479 20 30 FEEDRO C=CCOCCNC(=O)N1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000366785806 555933762 /nfs/dbraw/zinc/93/37/62/555933762.db2.gz RQOOYZAFDGVBBP-IAGOWNOFSA-N 1 0 353.507 2.110 20 30 FEEDRO C[C@H](CC#N)N(C)S(=O)(=O)NC1CC[NH+](C2CCC(C)CC2)CC1 ZINC000367174823 556003152 /nfs/dbraw/zinc/00/31/52/556003152.db2.gz XNNWXMIJRRIPQQ-ISXOHVOVSA-N 1 0 356.536 2.098 20 30 FEEDRO C#CC[C@@]1(C(=O)N[C@@H]2CCc3[nH]cnc3C2)CCCN1C(=O)OC(C)(C)C ZINC000367723676 556123681 /nfs/dbraw/zinc/12/36/81/556123681.db2.gz CSDHAKWZYNPAAL-VLIAUNLRSA-N 1 0 372.469 2.176 20 30 FEEDRO N#C[C@@H](c1cccs1)N1CCN(C(=O)C[N@@H+]2CC3CCC2CC3)CC1 ZINC000367763315 556132887 /nfs/dbraw/zinc/13/28/87/556132887.db2.gz KUHHFVHYUYVFMO-JCYILVPMSA-N 1 0 358.511 2.331 20 30 FEEDRO N#Cc1ccc(CS(=O)(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000367851267 556154514 /nfs/dbraw/zinc/15/45/14/556154514.db2.gz XXWBGVNIRPUUTJ-HXUWFJFHSA-N 1 0 369.490 2.500 20 30 FEEDRO N#Cc1ccc(C[NH2+]Cc2ccc(C(=O)N3CCOCC3)cc2)cc1F ZINC000515826152 562022945 /nfs/dbraw/zinc/02/29/45/562022945.db2.gz MQGDBDOUEJZJBO-UHFFFAOYSA-N 1 0 353.397 2.460 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCCN(C(=O)c3ccco3)CC2)CC1 ZINC000369085933 556500861 /nfs/dbraw/zinc/50/08/61/556500861.db2.gz XNPPTJFQJABPGT-UHFFFAOYSA-N 1 0 374.485 2.178 20 30 FEEDRO CC(=O)N1CCCCC[C@@H]1C1CC[NH+]([C@H](C)C(=O)N(C)CCC#N)CC1 ZINC000369515079 556616736 /nfs/dbraw/zinc/61/67/36/556616736.db2.gz GWCCTVRYMZUUAU-VQIMIIECSA-N 1 0 362.518 2.250 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)CC[C@H]2Cc3ccccc3NC2=O)CC1 ZINC000369593642 556641447 /nfs/dbraw/zinc/64/14/47/556641447.db2.gz VIQCTXKLUXSQQE-KRWDZBQOSA-N 1 0 353.466 2.182 20 30 FEEDRO N#Cc1ccccc1NC(=O)CC[NH+]1CCC(Oc2cnccn2)CC1 ZINC000369683714 556668013 /nfs/dbraw/zinc/66/80/13/556668013.db2.gz OGMUVGGTVSUTLH-UHFFFAOYSA-N 1 0 351.410 2.220 20 30 FEEDRO CCC[C@H]1C[NH2+]CCN1C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000516431522 562042768 /nfs/dbraw/zinc/04/27/68/562042768.db2.gz WCAVPKXCZWGFRY-ADKAHSJRSA-N 1 0 371.485 2.427 20 30 FEEDRO C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1NC(=O)NCc1cc(C#N)ccc1F ZINC000369865283 556716774 /nfs/dbraw/zinc/71/67/74/556716774.db2.gz YCFLLQRKOWMSBZ-LSBZLQRGSA-N 1 0 374.460 2.386 20 30 FEEDRO CCC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCCN(c3nc(C)ccc3C#N)C2)C1 ZINC000369937513 556735587 /nfs/dbraw/zinc/73/55/87/556735587.db2.gz QHKVJQYGOVRGSE-IEBWSBKVSA-N 1 0 369.513 2.326 20 30 FEEDRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(CC(=O)NCc2cccc(C#N)c2)C1 ZINC000369953071 556739593 /nfs/dbraw/zinc/73/95/93/556739593.db2.gz WCZJXGSZZDFPST-OAQYLSRUSA-N 1 0 362.477 2.381 20 30 FEEDRO C=CCn1c([C@H](C)OCCOC)nnc1N1C[C@H](C)[N@H+](CC)C[C@H]1C ZINC000516514640 562045698 /nfs/dbraw/zinc/04/56/98/562045698.db2.gz CEXHMYAGACHDMY-XHSDSOJGSA-N 1 0 351.495 2.107 20 30 FEEDRO C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[NH+]1CCC(n2cnc(C#N)n2)CC1 ZINC000370123363 556786808 /nfs/dbraw/zinc/78/68/08/556786808.db2.gz RTOHKMWYTIRHLZ-AWEZNQCLSA-N 1 0 370.432 2.145 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)[C@H]2CCC(=O)N(Cc3ccccc3)C2)CC1 ZINC000370216585 556813877 /nfs/dbraw/zinc/81/38/77/556813877.db2.gz RUIQGYBSIIIAJX-SFHVURJKSA-N 1 0 355.482 2.192 20 30 FEEDRO C=C(C)Cn1c(-c2cnn(C)c2)nnc1N1CC[N@@H+]([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000516719374 562055713 /nfs/dbraw/zinc/05/57/13/562055713.db2.gz UVQROPRDQVKTBE-LZLYRXPVSA-N 1 0 369.517 2.421 20 30 FEEDRO CN(C(=O)C#Cc1ccc2c(c1)OCO2)C1CCN(c2cc[nH+]cc2)CC1 ZINC000370522193 556898449 /nfs/dbraw/zinc/89/84/49/556898449.db2.gz KNNVKCLVKHJJOB-UHFFFAOYSA-N 1 0 363.417 2.289 20 30 FEEDRO C#CCOc1ccc([C@H](C)[NH2+]C2CCN(CC(=O)N3CCCC3)CC2)cc1 ZINC000370653407 556931990 /nfs/dbraw/zinc/93/19/90/556931990.db2.gz SGYXZWNGIWABPH-SFHVURJKSA-N 1 0 369.509 2.436 20 30 FEEDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)C(C)(C)Oc1ccc(C#N)cc1 ZINC000370834589 556984179 /nfs/dbraw/zinc/98/41/79/556984179.db2.gz YDZLROIQVDNFNE-QRQLOZEOSA-N 1 0 371.481 2.426 20 30 FEEDRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2C(=O)C(C)(C)Oc1ccc(C#N)cc1 ZINC000370834588 556984314 /nfs/dbraw/zinc/98/43/14/556984314.db2.gz YDZLROIQVDNFNE-NZSAHSFTSA-N 1 0 371.481 2.426 20 30 FEEDRO C[NH+](C)CCn1ccc(C(=O)N[C@@H](C#N)c2cccc(C(F)(F)F)c2)n1 ZINC000517038946 562072892 /nfs/dbraw/zinc/07/28/92/562072892.db2.gz SDPJIALAZBYNDP-HNNXBMFYSA-N 1 0 365.359 2.458 20 30 FEEDRO N#Cc1c2c(sc1NC(=O)CC[NH+]1CCC3(CCOC3=O)CC1)CCC2 ZINC000371151262 557089892 /nfs/dbraw/zinc/08/98/92/557089892.db2.gz LYWREDFHWXRGPE-UHFFFAOYSA-N 1 0 373.478 2.466 20 30 FEEDRO N#Cc1cccc(CNC(=O)CN2CCC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000371194824 557103762 /nfs/dbraw/zinc/10/37/62/557103762.db2.gz GROFVJWPCFSHBQ-FQEVSTJZSA-N 1 0 354.498 2.372 20 30 FEEDRO N#Cc1ncccc1S(=O)(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000517272177 562083941 /nfs/dbraw/zinc/08/39/41/562083941.db2.gz HJUAOJYIIXRNDD-UHFFFAOYSA-N 1 0 370.478 2.418 20 30 FEEDRO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC[C@H]1C[C@@H](O)c1cnn(C)c1 ZINC000371334053 557149582 /nfs/dbraw/zinc/14/95/82/557149582.db2.gz DDTKYPIETUWGSD-BPQIPLTHSA-N 1 0 373.501 2.039 20 30 FEEDRO Cc1cc(C)n2c(CN3C[C@H](C#N)[C@@]4(C3)c3ccccc3NC4=O)cnc2n1 ZINC000371457034 557190235 /nfs/dbraw/zinc/19/02/35/557190235.db2.gz HXJJGFNWZQWFRR-BTYIYWSLSA-N 1 0 372.432 2.192 20 30 FEEDRO Cn1cc([C@@H](NCC(=O)NCc2ccc(C#N)cc2)c2ccccc2)cn1 ZINC000371709875 557271124 /nfs/dbraw/zinc/27/11/24/557271124.db2.gz KLDRBXBJGAFPJL-NRFANRHFSA-N 1 0 359.433 2.287 20 30 FEEDRO C[NH+](C)C[C@@H]1CN(CC(=O)NCc2ccc(C#N)cc2)c2ccccc2O1 ZINC000372001331 557353255 /nfs/dbraw/zinc/35/32/55/557353255.db2.gz LWPWDHQTXDWJGU-GOSISDBHSA-N 1 0 364.449 2.004 20 30 FEEDRO CCC[NH+]1CCN(C(=O)Nc2cc(C)n(-c3cccc(C#N)c3)n2)CC1 ZINC000372373369 557454098 /nfs/dbraw/zinc/45/40/98/557454098.db2.gz CFYNPGXDZDHEPB-UHFFFAOYSA-N 1 0 352.442 2.612 20 30 FEEDRO CC(C)C[N@@H+]1CCCN(C(=O)C(=O)Nc2ccccc2O[C@H](C)C#N)CC1 ZINC000372641645 557527779 /nfs/dbraw/zinc/52/77/79/557527779.db2.gz UKDXYRJWEVXEOP-MRXNPFEDSA-N 1 0 372.469 2.106 20 30 FEEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)N[C@@H]3CCO[C@@H]3C3CC3)CC2)cc1 ZINC000372858915 557576932 /nfs/dbraw/zinc/57/69/32/557576932.db2.gz SPKOMFKUWDJZKY-WOJBJXKFSA-N 1 0 368.481 2.343 20 30 FEEDRO CN1CCC[C@]2(CC[N@H+](CCC(=O)Nc3ccc(C#N)c(Cl)c3)C2)C1=O ZINC000372902859 557585369 /nfs/dbraw/zinc/58/53/69/557585369.db2.gz IZLBUXIWJHYUOR-LJQANCHMSA-N 1 0 374.872 2.485 20 30 FEEDRO COc1ccc(C(=O)NCC[NH2+][C@@H]2CCC[C@@H]3O[C@@H](CC#N)C[C@@H]32)cc1 ZINC000373193055 557647522 /nfs/dbraw/zinc/64/75/22/557647522.db2.gz XAJPSAJYDUEEKX-MANSERQUSA-N 1 0 357.454 2.254 20 30 FEEDRO COc1cccc(C(=O)NCC[NH2+][C@@H]2CCC[C@@H]3O[C@H](CC#N)C[C@@H]32)c1 ZINC000373228495 557653956 /nfs/dbraw/zinc/65/39/56/557653956.db2.gz NUEFXKUWEMOJBT-MKXGPGLRSA-N 1 0 357.454 2.254 20 30 FEEDRO N#CCCSc1ccccc1NC(=O)C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000520199399 562150413 /nfs/dbraw/zinc/15/04/13/562150413.db2.gz JMUAVADWYNGFAN-LJQANCHMSA-N 1 0 372.494 2.233 20 30 FEEDRO COC(=O)[C@]12C[N@H+](Cc3cccc(OCCCC#N)c3)C[C@H]1COCC2 ZINC000373484757 557702665 /nfs/dbraw/zinc/70/26/65/557702665.db2.gz MDWATPIUVWBFKF-FXAWDEMLSA-N 1 0 358.438 2.381 20 30 FEEDRO C[NH+]1CCC(C#N)(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)CC1 ZINC000520361067 562154224 /nfs/dbraw/zinc/15/42/24/562154224.db2.gz GACGJZSHDKAVSY-UHFFFAOYSA-N 1 0 361.405 2.463 20 30 FEEDRO CC(C)NC(=O)c1cnn2c1C[C@@H](C[NH2+]Cc1ccc(C#N)cc1)CC2 ZINC000373669773 557735264 /nfs/dbraw/zinc/73/52/64/557735264.db2.gz ZVYIMTKQGLXRKT-KRWDZBQOSA-N 1 0 351.454 2.245 20 30 FEEDRO C=CCN(C(=O)[C@@H](OC)c1cnn(C)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000373987028 557801533 /nfs/dbraw/zinc/80/15/33/557801533.db2.gz WKAQBLPXRMZBJZ-PMACEKPBSA-N 1 0 368.481 2.397 20 30 FEEDRO Cc1cc(NC(=O)NC2(C[NH+](C)C)CCC2)nn1-c1cccc(C#N)c1 ZINC000374170860 557836699 /nfs/dbraw/zinc/83/66/99/557836699.db2.gz KAUPYARBQDRBOR-UHFFFAOYSA-N 1 0 352.442 2.658 20 30 FEEDRO C[C@@H]1CN(C(=O)CCc2ccc(C#N)cc2)CCN1C1CC[NH+](C)CC1 ZINC000374252795 557851298 /nfs/dbraw/zinc/85/12/98/557851298.db2.gz AAWANNSWRKCMTM-QGZVFWFLSA-N 1 0 354.498 2.118 20 30 FEEDRO N#Cc1c(Cl)cccc1S(=O)(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000374345683 557868855 /nfs/dbraw/zinc/86/88/55/557868855.db2.gz DPTRPGPEJNKLCR-GOEBONIOSA-N 1 0 361.854 2.327 20 30 FEEDRO CCN(C[C@H](C)C#N)S(=O)(=O)N1CCC([NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000374456530 557886405 /nfs/dbraw/zinc/88/64/05/557886405.db2.gz MYEMAJCZWCRTMP-BRWVUGGUSA-N 1 0 370.563 2.155 20 30 FEEDRO N#Cc1ccc(OC[C@H](O)C[N@H+]2CCC[C@@](CO)(c3ccccc3)C2)cc1 ZINC000374559278 557899786 /nfs/dbraw/zinc/89/97/86/557899786.db2.gz FZZQKHHLCWHALI-IFMALSPDSA-N 1 0 366.461 2.324 20 30 FEEDRO N#Cc1ccc([C@H](O)C[N@@H+]2CCC[C@@H](CNC(=O)c3ccco3)C2)cc1 ZINC000374565428 557900615 /nfs/dbraw/zinc/90/06/15/557900615.db2.gz GZFJXHZKGVBKRO-FUHWJXTLSA-N 1 0 353.422 2.327 20 30 FEEDRO COc1cc(C#N)ccc1OCC[N@@H+]1CCC[C@H](c2nc(N(C)C)no2)C1 ZINC000374623461 557908239 /nfs/dbraw/zinc/90/82/39/557908239.db2.gz WBSMQAOXYANSOD-HNNXBMFYSA-N 1 0 371.441 2.274 20 30 FEEDRO C[C@@H](C(=O)Nc1ccccc1C#N)N1CCC[C@H](c2nc(N(C)C)no2)C1 ZINC000374636903 557910268 /nfs/dbraw/zinc/91/02/68/557910268.db2.gz OZCSKMWPDGYLNI-ZFWWWQNUSA-N 1 0 368.441 2.214 20 30 FEEDRO COC(=O)[C@]12CCC[C@@H]1C[N@@H+]([C@@H]1CCN(c3sccc3C#N)C1=O)C2 ZINC000374645889 557911609 /nfs/dbraw/zinc/91/16/09/557911609.db2.gz KCKWEICNXAZWBF-LBTNJELSSA-N 1 0 359.451 2.000 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)CCN2CC[C@H](O)c3ccccc3C2)cc1 ZINC000374807976 557934472 /nfs/dbraw/zinc/93/44/72/557934472.db2.gz QOWAKXHHIOMUKL-IBGZPJMESA-N 1 0 356.447 2.271 20 30 FEEDRO Cc1cccc(N(CCC#N)C(=O)C[NH2+][C@@H]2CCC(=O)NC23CCC3)c1C ZINC000374856270 557941575 /nfs/dbraw/zinc/94/15/75/557941575.db2.gz NQRMCELEOHXYIY-GOSISDBHSA-N 1 0 368.481 2.341 20 30 FEEDRO COC(=O)N(C)CCCC(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000374905548 557948892 /nfs/dbraw/zinc/94/88/92/557948892.db2.gz ZHJZNBGWHCSKSB-UHFFFAOYSA-N 1 0 372.469 2.139 20 30 FEEDRO COC(=O)[C@H]1C[C@H]([NH2+]CC(C)(C)CCC#N)CN1C(=O)OC(C)(C)C ZINC000375683689 558067321 /nfs/dbraw/zinc/06/73/21/558067321.db2.gz VCLYDVNBQTYKPR-UONOGXRCSA-N 1 0 353.463 2.457 20 30 FEEDRO N#Cc1ncn(C2CC[NH+](CCC(=O)Nc3ccc(Cl)cc3)CC2)n1 ZINC000375919243 558099677 /nfs/dbraw/zinc/09/96/77/558099677.db2.gz IWRSNBURKYOXOF-UHFFFAOYSA-N 1 0 358.833 2.469 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2CCCC3(CC[NH2+]CC3)C2)c(Cl)c1 ZINC000376065859 558122067 /nfs/dbraw/zinc/12/20/67/558122067.db2.gz IDUVIBGOCWLAEH-UHFFFAOYSA-N 1 0 353.875 2.366 20 30 FEEDRO C[C@H]1CN(C(=O)c2cc(C#N)ccc2Cl)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000376107509 558128053 /nfs/dbraw/zinc/12/80/53/558128053.db2.gz UKRXJLFUSLSOPF-KBXCAEBGSA-N 1 0 360.889 2.310 20 30 FEEDRO C#CCC(CC#C)C(=O)N(C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000376904367 558237064 /nfs/dbraw/zinc/23/70/64/558237064.db2.gz QCMBMPAHMLTYOX-UHFFFAOYSA-N 1 0 357.542 2.304 20 30 FEEDRO N#Cc1ncn(C2CCN(C(=O)c3cccc(C[NH+]4CCCC4)c3)CC2)n1 ZINC000377429584 558338991 /nfs/dbraw/zinc/33/89/91/558338991.db2.gz BDSIJLJMWKEMMZ-UHFFFAOYSA-N 1 0 364.453 2.223 20 30 FEEDRO C[C@H](Oc1ccccc1Br)C(=O)NC1(C#N)CC[NH+](C)CC1 ZINC000522130926 562192182 /nfs/dbraw/zinc/19/21/82/562192182.db2.gz TXOKAQSDUSXINJ-LBPRGKRZSA-N 1 0 366.259 2.321 20 30 FEEDRO CN1CC[C@H]([NH2+]C[C@H](O)COc2ccc(C#N)cc2)[C@H]1c1ccc(F)cc1 ZINC000377644525 558384954 /nfs/dbraw/zinc/38/49/54/558384954.db2.gz FNFCGUMNMPVGFD-SESVDKBCSA-N 1 0 369.440 2.472 20 30 FEEDRO CN1CC[C@H]([NH2+]CCS(=O)(=O)c2cccc(C#N)c2)[C@@H]1c1ccccc1 ZINC000377650464 558386630 /nfs/dbraw/zinc/38/66/30/558386630.db2.gz IZAPGWKZPJDTJT-PMACEKPBSA-N 1 0 369.490 2.367 20 30 FEEDRO CN1CC[C@H]([NH2+]CC(=O)N(CCC#N)CCC#N)[C@@H]1c1ccc(Cl)cc1 ZINC000377685344 558396406 /nfs/dbraw/zinc/39/64/06/558396406.db2.gz ZXWKKPYPJCBHSH-HKUYNNGSSA-N 1 0 373.888 2.331 20 30 FEEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000377735136 558408004 /nfs/dbraw/zinc/40/80/04/558408004.db2.gz UHDVRUYPEIWRIQ-QZTJIDSGSA-N 1 0 372.469 2.408 20 30 FEEDRO CC(C)(C#N)CCS(=O)(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000377835123 558431396 /nfs/dbraw/zinc/43/13/96/558431396.db2.gz RAWLQSMHVRSSIZ-SFHVURJKSA-N 1 0 363.527 2.410 20 30 FEEDRO C#Cc1ccccc1CC(=O)N1CCC(N2CC[NH+](CCC)CC2)CC1 ZINC000377930818 558449370 /nfs/dbraw/zinc/44/93/70/558449370.db2.gz FHVYXVWGJLQDHG-UHFFFAOYSA-N 1 0 353.510 2.229 20 30 FEEDRO CCc1nc(CN2CCC[C@@H]([N@H+](C)C[C@H](O)c3ccc(C#N)cc3)C2)no1 ZINC000378142235 558489900 /nfs/dbraw/zinc/48/99/00/558489900.db2.gz LTLVYFOLRPAXBZ-MSOLQXFVSA-N 1 0 369.469 2.133 20 30 FEEDRO N#Cc1ccc2ncc(C[NH2+][C@@H]3CC(=O)N([C@H]4C[C@H]4c4ccccc4)C3)n2c1 ZINC000378405152 558548820 /nfs/dbraw/zinc/54/88/20/558548820.db2.gz QOLSUHBGNIEPDS-HOJAQTOUSA-N 1 0 371.444 2.453 20 30 FEEDRO C=CCN(CC=C)C(=O)C[NH+]1CCC2(C[C@@H]2C(=O)N2CCCCC2)CC1 ZINC000378412503 558550859 /nfs/dbraw/zinc/55/08/59/558550859.db2.gz QVNMHUUZYWGHSR-GOSISDBHSA-N 1 0 359.514 2.302 20 30 FEEDRO C=C(C)COc1cccc(NC(=O)C(=O)N2CC[C@@H]3CC[N@@H+](C)[C@@H]3C2)c1 ZINC000378447075 558559328 /nfs/dbraw/zinc/55/93/28/558559328.db2.gz ACPLNFVRSGLZCY-MAUKXSAKSA-N 1 0 357.454 2.133 20 30 FEEDRO CCc1nn(C)cc1C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000378495297 558569404 /nfs/dbraw/zinc/56/94/04/558569404.db2.gz NNXUSXWACIJMCH-UHFFFAOYSA-N 1 0 351.454 2.271 20 30 FEEDRO C[C@H]1CN(Cc2cn(CCC#N)nc2-c2ccccc2)C[C@H](C)[NH+]1CCO ZINC000378568028 558585255 /nfs/dbraw/zinc/58/52/55/558585255.db2.gz WAOKYHFWPZDBBO-ROUUACIJSA-N 1 0 367.497 2.351 20 30 FEEDRO Cn1cc([C@H]([NH2+]C[C@@H](O)COc2ccc(C#N)cc2)c2ccccc2)cn1 ZINC000378650035 558600938 /nfs/dbraw/zinc/60/09/38/558600938.db2.gz WIQWROVWQPYDAN-TZIWHRDSSA-N 1 0 362.433 2.411 20 30 FEEDRO CCN(C[C@@H](C)C#N)S(=O)(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000409530437 558700381 /nfs/dbraw/zinc/70/03/81/558700381.db2.gz SNGBIVBRFDAACH-WMZOPIPTSA-N 1 0 364.515 2.139 20 30 FEEDRO CCN(C[C@@H](C)C#N)S(=O)(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000409597135 558706597 /nfs/dbraw/zinc/70/65/97/558706597.db2.gz RULATBMWRCRPOF-INIZCTEOSA-N 1 0 366.531 2.343 20 30 FEEDRO C[C@@H]([NH2+]C1(CNC(=O)[C@H](C)n2cnc(C#N)n2)CCCC1)c1ccccc1 ZINC000409680292 558712603 /nfs/dbraw/zinc/71/26/03/558712603.db2.gz LXAGJCDLRCOCKG-CVEARBPZSA-N 1 0 366.469 2.491 20 30 FEEDRO C[C@H]([NH2+]C1(CNC(=O)[C@H](C)n2cnc(C#N)n2)CCCC1)c1ccccc1 ZINC000409680293 558712874 /nfs/dbraw/zinc/71/28/74/558712874.db2.gz LXAGJCDLRCOCKG-HOTGVXAUSA-N 1 0 366.469 2.491 20 30 FEEDRO C[NH+]1CCC(C#N)(NC(=O)c2ccc(OCc3ccccc3)nc2)CC1 ZINC000524686756 562232376 /nfs/dbraw/zinc/23/23/76/562232376.db2.gz JDMWPRDQPOCJCL-UHFFFAOYSA-N 1 0 350.422 2.378 20 30 FEEDRO C=C(C)CN(C)C(=O)C(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000410817506 558813868 /nfs/dbraw/zinc/81/38/68/558813868.db2.gz XURQDBCOYZHQQL-NRFANRHFSA-N 1 0 355.482 2.146 20 30 FEEDRO C=CCN1C(=O)c2ccc(C(=O)N(C)[C@H]3CC[N@@H+](CC)[C@H](C)C3)cc2C1=O ZINC000525397242 562247452 /nfs/dbraw/zinc/24/74/52/562247452.db2.gz MNYFZILFORCYOI-ZBFHGGJFSA-N 1 0 369.465 2.413 20 30 FEEDRO C[NH+](C)[C@H]1CCOc2c(NC(=O)C(=O)NCC(C)(C)CC#N)cccc21 ZINC000411640451 558933931 /nfs/dbraw/zinc/93/39/31/558933931.db2.gz GJZHHMAAGIYJQG-HNNXBMFYSA-N 1 0 358.442 2.066 20 30 FEEDRO COCC[C@@]1([NH2+]CCC(=O)Nc2sc3c(c2C#N)CCC3)CCOC1 ZINC000411644582 558935240 /nfs/dbraw/zinc/93/52/40/558935240.db2.gz RFPULFRLVJNRLD-GOSISDBHSA-N 1 0 363.483 2.222 20 30 FEEDRO C[N@H+](CCC(=O)Nc1cccc(C#N)c1)[C@@H](CC(N)=O)c1ccccc1 ZINC000411669034 558939814 /nfs/dbraw/zinc/93/98/14/558939814.db2.gz QAONFYVKZINANU-SFHVURJKSA-N 1 0 350.422 2.435 20 30 FEEDRO CC[C@@H]1Oc2cc([C@H](C)[NH2+]CC(=O)NC3(C#N)CCC3)ccc2NC1=O ZINC000525885985 562258563 /nfs/dbraw/zinc/25/85/63/562258563.db2.gz ZVJALOAFFFUZRZ-WFASDCNBSA-N 1 0 356.426 2.009 20 30 FEEDRO CO[C@@](C)([C@@H](C)[NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1)C1CC1 ZINC000411968931 558997176 /nfs/dbraw/zinc/99/71/76/558997176.db2.gz KQHFUQTWJLRROZ-VLIAUNLRSA-N 1 0 367.453 2.476 20 30 FEEDRO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1C[C@H](C(N)=O)[C@@H](c2ccccc2)C1 ZINC000411985151 558999267 /nfs/dbraw/zinc/99/92/67/558999267.db2.gz RUVLEMCJZFUXCY-ZMYBRWDISA-N 1 0 362.433 2.086 20 30 FEEDRO C=CCC[C@H](NC(=O)C1CC[NH+]([C@H]2CCSC2)CC1)C(=O)OCC ZINC000412391974 559032667 /nfs/dbraw/zinc/03/26/67/559032667.db2.gz DRUXCDDKRVGAFD-HOTGVXAUSA-N 1 0 354.516 2.218 20 30 FEEDRO N#Cc1cnc(NCc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)c(F)c1 ZINC000413573713 559117494 /nfs/dbraw/zinc/11/74/94/559117494.db2.gz MSIWKXSVSKRBGJ-UHFFFAOYSA-N 1 0 367.428 2.402 20 30 FEEDRO CC[NH2+]Cc1cccc(NC(=O)C(=O)N(C)Cc2cccc(C#N)c2)c1 ZINC000414724373 559182384 /nfs/dbraw/zinc/18/23/84/559182384.db2.gz FDDCNFCBYNFXIZ-UHFFFAOYSA-N 1 0 350.422 2.265 20 30 FEEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)NC[C@@H]2C[NH2+]CCCO2)cc1 ZINC000415008554 559200313 /nfs/dbraw/zinc/20/03/13/559200313.db2.gz FDURFNCUCNNNDC-SFHVURJKSA-N 1 0 372.469 2.001 20 30 FEEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CCC(C[NH3+])CC1 ZINC000415299871 559222052 /nfs/dbraw/zinc/22/20/52/559222052.db2.gz IRLOXWBNRQOGIQ-CYBMUJFWSA-N 1 0 360.483 2.074 20 30 FEEDRO C[C@H]1C[NH2+]CCN1C(=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 ZINC000415343664 559225547 /nfs/dbraw/zinc/22/55/47/559225547.db2.gz UBTNYTQDOUGWKT-AWEZNQCLSA-N 1 0 364.405 2.109 20 30 FEEDRO [NH3+]C1CCC(NC(=O)C(=O)Nc2cccc(C#Cc3ccccc3)c2)CC1 ZINC000415347600 559226132 /nfs/dbraw/zinc/22/61/32/559226132.db2.gz CCMIEGWKQKNOQI-UHFFFAOYSA-N 1 0 361.445 2.411 20 30 FEEDRO C[NH2+]C[C@H]1CCN(C(=O)C(=O)Nc2cccc(C#Cc3ccccc3)c2)C1 ZINC000415397322 559231101 /nfs/dbraw/zinc/23/11/01/559231101.db2.gz QXZWVBPXNAWZTN-LJQANCHMSA-N 1 0 361.445 2.093 20 30 FEEDRO C[C@@H]1CN(C(=O)C(=O)Nc2cccc(C#Cc3ccccc3)c2)CC[C@H]1[NH3+] ZINC000415436749 559236691 /nfs/dbraw/zinc/23/66/91/559236691.db2.gz CBQRLZHQXPPAKV-OXQOHEQNSA-N 1 0 361.445 2.221 20 30 FEEDRO C[C@@](C[NH3+])(NC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1)C1CC1 ZINC000415439693 559237179 /nfs/dbraw/zinc/23/71/79/559237179.db2.gz DCSCIGOTYCAUQT-KRWDZBQOSA-N 1 0 358.833 2.646 20 30 FEEDRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000415443501 559237539 /nfs/dbraw/zinc/23/75/39/559237539.db2.gz FQTQQWMRZJEJSU-SFHVURJKSA-N 1 0 366.421 2.389 20 30 FEEDRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 ZINC000415446725 559237931 /nfs/dbraw/zinc/23/79/31/559237931.db2.gz HKSMTNZCZSGDOX-NWDGAFQWSA-N 1 0 358.833 2.611 20 30 FEEDRO CC(C)[C@@H]1CCc2c(C#N)c(NC(=O)C(=O)NCC(C)(C)[NH3+])sc2C1 ZINC000415462565 559239713 /nfs/dbraw/zinc/23/97/13/559239713.db2.gz HGUNOLDISMRPAY-LLVKDONJSA-N 1 0 362.499 2.173 20 30 FEEDRO COCCOc1ccc(C#N)cc1NC(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000415463907 559239965 /nfs/dbraw/zinc/23/99/65/559239965.db2.gz KTJCAWRSPQMNKZ-MRXNPFEDSA-N 1 0 354.410 2.405 20 30 FEEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000415477648 559241546 /nfs/dbraw/zinc/24/15/46/559241546.db2.gz BOVVIGPJOQBBFP-ZDUSSCGKSA-N 1 0 362.499 2.320 20 30 FEEDRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)Nc1ccccc1C#Cc1ccccc1 ZINC000415541266 559247842 /nfs/dbraw/zinc/24/78/42/559247842.db2.gz NIBFJIVQLGLZDQ-SJLPKXTDSA-N 1 0 361.445 2.221 20 30 FEEDRO CCCc1c(NC(=O)NCC[NH2+]CCOC)cnn1-c1cccc(C#N)c1 ZINC000415587487 559252945 /nfs/dbraw/zinc/25/29/45/559252945.db2.gz YZSWDHZVZKUGFJ-UHFFFAOYSA-N 1 0 370.457 2.054 20 30 FEEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000415612101 559255067 /nfs/dbraw/zinc/25/50/67/559255067.db2.gz ZILZDQHBSCIMEQ-IFXJQAMLSA-N 1 0 372.494 2.231 20 30 FEEDRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)Nc1ccccc1C#Cc1ccccc1 ZINC000415623486 559255922 /nfs/dbraw/zinc/25/59/22/559255922.db2.gz ZTQQNMGNDOPDGY-OXJNMPFZSA-N 1 0 361.445 2.139 20 30 FEEDRO C[C@H]1C[C@@H](NC(=O)C(=O)Nc2cccc(C#Cc3ccccc3)c2)CC[NH2+]1 ZINC000415655342 559258666 /nfs/dbraw/zinc/25/86/66/559258666.db2.gz HSCZVZAPJGGSDC-JXFKEZNVSA-N 1 0 361.445 2.282 20 30 FEEDRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)Nc1ccccc1C#Cc1ccccc1 ZINC000415693793 559262471 /nfs/dbraw/zinc/26/24/71/559262471.db2.gz ZKRRHSAXZMILIG-LPHOPBHVSA-N 1 0 361.445 2.282 20 30 FEEDRO C=CCOc1cccc(NC(=O)C(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000415820275 559274755 /nfs/dbraw/zinc/27/47/55/559274755.db2.gz KYNXPAPUOHJVQC-CVEARBPZSA-N 1 0 357.454 2.038 20 30 FEEDRO C[C@@H]1CCN(C(=O)C(=O)Nc2scc(C(C)(C)C)c2C#N)C[C@@H]1C[NH3+] ZINC000415856258 559279008 /nfs/dbraw/zinc/27/90/08/559279008.db2.gz ZMHWCUUCEBRRDL-NEPJUHHUSA-N 1 0 362.499 2.299 20 30 FEEDRO O=C(Nc1cccc(C#Cc2ccccc2)c1)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000415874197 559280537 /nfs/dbraw/zinc/28/05/37/559280537.db2.gz WFTCDYJOGYYYBP-FQEVSTJZSA-N 1 0 361.445 2.283 20 30 FEEDRO C[NH2+]Cc1ccc(NC(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1 ZINC000415987250 559287247 /nfs/dbraw/zinc/28/72/47/559287247.db2.gz WWGKBDAAZUKKAS-QGZVFWFLSA-N 1 0 351.410 2.358 20 30 FEEDRO C[NH+](C)[C@@H](CC(=O)N1CCN(c2cc(C#N)ccn2)CC1)c1ccccc1 ZINC000416140248 559293990 /nfs/dbraw/zinc/29/39/90/559293990.db2.gz SJQQMCNMUUMSOJ-IBGZPJMESA-N 1 0 363.465 2.295 20 30 FEEDRO CC(C)Oc1ccc(NC(=O)N2C[C@H](C)[N@H+](CCO)C[C@@H]2C)cc1C#N ZINC000416931500 559339002 /nfs/dbraw/zinc/33/90/02/559339002.db2.gz LQNYWBBAMJWZRY-GJZGRUSLSA-N 1 0 360.458 2.264 20 30 FEEDRO O=C(NCC#Cc1cccc(C(F)(F)F)c1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000416956653 559340185 /nfs/dbraw/zinc/34/01/85/559340185.db2.gz YDXWTPQEQAUBPX-GDBMZVCRSA-N 1 0 351.372 2.450 20 30 FEEDRO C=C(C)Cn1c(-c2ncccn2)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC000417498707 559364680 /nfs/dbraw/zinc/36/46/80/559364680.db2.gz GHPBAAJLBVNSGJ-MRXNPFEDSA-N 1 0 355.490 2.479 20 30 FEEDRO C[C@]1(C[NH3+])CCN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)C1 ZINC000417572907 559367260 /nfs/dbraw/zinc/36/72/60/559367260.db2.gz HANKELAXFNRYNJ-HNAYVOBHSA-N 1 0 359.449 2.046 20 30 FEEDRO C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000417580678 559367559 /nfs/dbraw/zinc/36/75/59/559367559.db2.gz RKCCMHJOYSJFSN-SQWLQELKSA-N 1 0 359.449 2.058 20 30 FEEDRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000418012114 559386468 /nfs/dbraw/zinc/38/64/68/559386468.db2.gz RSQOZUNIDPSLNQ-ROUUACIJSA-N 1 0 371.485 2.068 20 30 FEEDRO N#C[C@@H]1CN(C(=O)N[C@@H](C[NH3+])C2CCCCC2)CCN1Cc1ccccc1 ZINC000418358637 559398995 /nfs/dbraw/zinc/39/89/95/559398995.db2.gz DQXLMTYZPMSGQK-UXHICEINSA-N 1 0 369.513 2.314 20 30 FEEDRO N#CC1(F)CCN(C(=O)N[C@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000418571754 559406772 /nfs/dbraw/zinc/40/67/72/559406772.db2.gz RSTBQOAZVGEIRY-CJNGLKHVSA-N 1 0 366.387 2.448 20 30 FEEDRO CC(C)(CC#N)CNC(=O)C(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000418968907 559423901 /nfs/dbraw/zinc/42/39/01/559423901.db2.gz DARIZCOFFFAVPP-KRWDZBQOSA-N 1 0 352.438 2.012 20 30 FEEDRO C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N1CCC(CC[NH2+]C)CC1 ZINC000419064993 559426861 /nfs/dbraw/zinc/42/68/61/559426861.db2.gz YNKDUVOALIDOJX-LJQANCHMSA-N 1 0 357.498 2.138 20 30 FEEDRO C=CCCC[C@H](C)NC(=O)C(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(OC)cc1 ZINC000419153573 559430250 /nfs/dbraw/zinc/43/02/50/559430250.db2.gz OUQOJJVHAGFPQC-SNRMKQJTSA-N 1 0 373.497 2.118 20 30 FEEDRO C[C@@H](NC(=O)C(=O)NCCCC[NH3+])c1ccc(-c2cccc(C#N)c2)cc1 ZINC000419181329 559431787 /nfs/dbraw/zinc/43/17/87/559431787.db2.gz ANYAEOPYVLLYHG-OAHLLOKOSA-N 1 0 364.449 2.258 20 30 FEEDRO C=CCC[C@@H](NC(=O)C(=O)NCC1C[NH2+]C1)c1ccc(C(F)(F)F)cc1 ZINC000419476531 559444376 /nfs/dbraw/zinc/44/43/76/559444376.db2.gz PZKLPPFSSFJYCP-OAHLLOKOSA-N 1 0 369.387 2.165 20 30 FEEDRO C=C(C)[C@H](NC(=O)C(=O)N1CC[C@H](C)[C@H](C[NH3+])C1)c1ccc(F)c(F)c1 ZINC000419676141 559453311 /nfs/dbraw/zinc/45/33/11/559453311.db2.gz LFPACOQTJZKWCK-QEORTHHSSA-N 1 0 365.424 2.142 20 30 FEEDRO C=C(C)[C@H](NC(=O)C(=O)N1CCC([C@H](C)[NH3+])CC1)c1ccc(F)c(F)c1 ZINC000419683865 559453975 /nfs/dbraw/zinc/45/39/75/559453975.db2.gz VPDVPITUCRUPJI-SJCJKPOMSA-N 1 0 365.424 2.284 20 30 FEEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCC1([NH+](C)C)CC1 ZINC000419798127 559459815 /nfs/dbraw/zinc/45/98/15/559459815.db2.gz WRHUTUPIIHHVHR-CYBMUJFWSA-N 1 0 360.483 2.230 20 30 FEEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000419888291 559463355 /nfs/dbraw/zinc/46/33/55/559463355.db2.gz LREJBHRXXLHGBE-OLZOCXBDSA-N 1 0 369.918 2.420 20 30 FEEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000420098163 559472555 /nfs/dbraw/zinc/47/25/55/559472555.db2.gz ARLWCTOVDRTPBE-VXGBXAGGSA-N 1 0 355.891 2.173 20 30 FEEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000420152591 559474998 /nfs/dbraw/zinc/47/49/98/559474998.db2.gz AGVMKSOBJXOMLN-GOSISDBHSA-N 1 0 373.497 2.104 20 30 FEEDRO Cc1ccc2c(ncc(C#N)c2NC[C@@H]2C[NH2+]CCN2C)c1Br ZINC000420263036 559477997 /nfs/dbraw/zinc/47/79/97/559477997.db2.gz BJJINSFUFGQZCD-ZDUSSCGKSA-N 1 0 374.286 2.493 20 30 FEEDRO CC(C)(CC#N)CNC(=O)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000421041755 559521514 /nfs/dbraw/zinc/52/15/14/559521514.db2.gz YOOAWJQVPISRMF-UHFFFAOYSA-N 1 0 370.497 2.345 20 30 FEEDRO CCOC(=O)c1c(NC(=O)N[C@@H]2CCC[N@H+](C)[C@@H]2C)c(C#N)cn1CC ZINC000421173675 559528745 /nfs/dbraw/zinc/52/87/45/559528745.db2.gz MCXSNBCQAZEFJQ-TZMCWYRMSA-N 1 0 361.446 2.161 20 30 FEEDRO CCOC(=O)c1c(NC(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)c(C#N)cn1CC ZINC000421174912 559528864 /nfs/dbraw/zinc/52/88/64/559528864.db2.gz OYFJBLPSZSBBJR-OAHLLOKOSA-N 1 0 371.441 2.034 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2nc3c(s2)CCC3(C)C)CC1 ZINC000421209256 559531160 /nfs/dbraw/zinc/53/11/60/559531160.db2.gz YJZQJTYCPBPMQO-UHFFFAOYSA-N 1 0 362.499 2.072 20 30 FEEDRO Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NCc1ccc(C#N)s1 ZINC000421241659 559533054 /nfs/dbraw/zinc/53/30/54/559533054.db2.gz DIJSVERSYIZFMY-UHFFFAOYSA-N 1 0 356.451 2.245 20 30 FEEDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)COc1ccc(C#N)c(Br)c1 ZINC000421708874 559550289 /nfs/dbraw/zinc/55/02/89/559550289.db2.gz BIITYNHBYFCJBU-CYBMUJFWSA-N 1 0 366.259 2.252 20 30 FEEDRO CC[NH+]1CCC(N2CCCN(C(=O)NCC#Cc3ccccc3)CC2)CC1 ZINC000422137769 559567380 /nfs/dbraw/zinc/56/73/80/559567380.db2.gz AKLPYZJKHYUNTK-UHFFFAOYSA-N 1 0 368.525 2.240 20 30 FEEDRO CCC[C@@H]1CN(C(=O)NCc2ccc(C#N)s2)CC[N@@H+]1CCOC ZINC000422219639 559572185 /nfs/dbraw/zinc/57/21/85/559572185.db2.gz OVCYGWGDKWMGGC-CQSZACIVSA-N 1 0 350.488 2.262 20 30 FEEDRO C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)NC1CC[NH+](CC=C)CC1 ZINC000422291286 559576101 /nfs/dbraw/zinc/57/61/01/559576101.db2.gz CYLBFXWKWSYMAW-IBGZPJMESA-N 1 0 355.482 2.057 20 30 FEEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000422493099 559591845 /nfs/dbraw/zinc/59/18/45/559591845.db2.gz XMBUHLILKOBSRN-QGZVFWFLSA-N 1 0 373.497 2.058 20 30 FEEDRO C=CCN(Cc1ccccc1F)C(=O)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000423181929 559622137 /nfs/dbraw/zinc/62/21/37/559622137.db2.gz JYLZPSQENHJUFK-LJQANCHMSA-N 1 0 373.472 2.331 20 30 FEEDRO C=C(C)CN(Cc1ccccc1)C(=O)C(=O)N1CCC(CC[NH2+]C)CC1 ZINC000423358149 559626617 /nfs/dbraw/zinc/62/66/17/559626617.db2.gz BBENDWRKVRAHHP-UHFFFAOYSA-N 1 0 357.498 2.439 20 30 FEEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000423557910 559632059 /nfs/dbraw/zinc/63/20/59/559632059.db2.gz IOQDUDLUPRUKDM-CQSZACIVSA-N 1 0 372.494 2.231 20 30 FEEDRO Cc1ccc(NC(=O)[C@H]([NH3+])CCCC#N)cc1S(=O)(=O)NC(C)(C)C ZINC000424130108 559655634 /nfs/dbraw/zinc/65/56/34/559655634.db2.gz SUJZZFKBAXQCKQ-CQSZACIVSA-N 1 0 366.487 2.032 20 30 FEEDRO CN(CCCc1cc(-c2ccccc2)n(C)n1)C(=O)[C@@H]([NH3+])CCCC#N ZINC000424196772 559657241 /nfs/dbraw/zinc/65/72/41/559657241.db2.gz VSQWGELSVGKLNW-SFHVURJKSA-N 1 0 353.470 2.499 20 30 FEEDRO C=CCCn1cc(C(=O)N(C)C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)nn1 ZINC000424797184 559676858 /nfs/dbraw/zinc/67/68/58/559676858.db2.gz QZIBZTHRGXCDNZ-WMZOPIPTSA-N 1 0 354.458 2.014 20 30 FEEDRO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000425386771 559699507 /nfs/dbraw/zinc/69/95/07/559699507.db2.gz PUJKHXLCJSMHAI-LPHOPBHVSA-N 1 0 370.497 2.410 20 30 FEEDRO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N(C)[C@@H](C)c2cccc(C#N)c2)C1 ZINC000425389424 559699727 /nfs/dbraw/zinc/69/97/27/559699727.db2.gz USCZDBZJGFKVEW-MAUKXSAKSA-N 1 0 356.470 2.020 20 30 FEEDRO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H](n3ccnn3)C2)c(OC)c1 ZINC000425497093 559705666 /nfs/dbraw/zinc/70/56/66/559705666.db2.gz BYFLOAASGLAQAZ-ZWKOTPCHSA-N 1 0 372.469 2.092 20 30 FEEDRO COCC(C)(C)[NH+]1CCN([C@H](C)C(=O)N(CCC#N)c2ccccc2)CC1 ZINC000425513307 559707031 /nfs/dbraw/zinc/70/70/31/559707031.db2.gz ZQWYKXIAMCGFRS-GOSISDBHSA-N 1 0 372.513 2.364 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1ccc(OCC[NH+](C)C)c(OC)c1 ZINC000425682238 559714749 /nfs/dbraw/zinc/71/47/49/559714749.db2.gz RJOSKOXVVZXYCF-HOCLYGCPSA-N 1 0 363.458 2.348 20 30 FEEDRO C=CCn1cc(CNC(=O)N[C@@H](C)[C@H](c2ccccc2C)[NH+](C)C)nn1 ZINC000425784997 559719476 /nfs/dbraw/zinc/71/94/76/559719476.db2.gz KWGAXCNHAXATEN-MAUKXSAKSA-N 1 0 356.474 2.263 20 30 FEEDRO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)NCCCC[N@H+](C)C1CC1 ZINC000425908028 559724847 /nfs/dbraw/zinc/72/48/47/559724847.db2.gz FHHLCVZWNDDDLB-HNNXBMFYSA-N 1 0 356.470 2.068 20 30 FEEDRO C=C[C@H]1CCCCN1C(=O)C(=O)Nc1cccc(N2CC[NH+](CC)CC2)c1 ZINC000427663705 559759975 /nfs/dbraw/zinc/75/99/75/559759975.db2.gz PHSXDBDGONAFRI-SFHVURJKSA-N 1 0 370.497 2.334 20 30 FEEDRO C=C[C@H]1CCCCN1C(=O)C(=O)Nc1ccc(C)cc1OCC[NH+](C)C ZINC000427717099 559760927 /nfs/dbraw/zinc/76/09/27/559760927.db2.gz AFAREVDUADTEDL-INIZCTEOSA-N 1 0 359.470 2.441 20 30 FEEDRO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000429012121 559788228 /nfs/dbraw/zinc/78/82/28/559788228.db2.gz UJLXIECYHBVVIB-YJYMSZOUSA-N 1 0 358.511 2.463 20 30 FEEDRO COC(=O)[C@H]1CC[N@H+](CC(=O)N(CCC#N)c2ccccc2)[C@H]1C(C)C ZINC000429373646 559797165 /nfs/dbraw/zinc/79/71/65/559797165.db2.gz AFQDETNLGQVLRO-HKUYNNGSSA-N 1 0 357.454 2.453 20 30 FEEDRO COC(=O)C[C@@](C)([NH2+]CCOc1ccc(C#N)cc1OC)c1ccccn1 ZINC000429672906 559803561 /nfs/dbraw/zinc/80/35/61/559803561.db2.gz FYKTXLRAWRABQX-HXUWFJFHSA-N 1 0 369.421 2.409 20 30 FEEDRO CNC(=O)[C@H]1CCC[C@H]1[NH2+]CC(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000429777433 559805474 /nfs/dbraw/zinc/80/54/74/559805474.db2.gz XVLVYISXCVPCNU-ZWKOTPCHSA-N 1 0 356.470 2.054 20 30 FEEDRO CC[C@@H](C)[N@H+](C)CCNC(=O)Nc1ccc(S(=O)(=O)[C@@H](C)C#N)cc1 ZINC000429926989 559808852 /nfs/dbraw/zinc/80/88/52/559808852.db2.gz BAUUICDUVTYRTF-KGLIPLIRSA-N 1 0 366.487 2.224 20 30 FEEDRO C=CCN(C(=O)CC1CC[NH2+]CC1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000430527815 559821741 /nfs/dbraw/zinc/82/17/41/559821741.db2.gz VXSBSZBGEXYBNV-OAHLLOKOSA-N 1 0 354.458 2.128 20 30 FEEDRO COC[C@H]([NH2+][C@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1)[C@H]1CCCO1 ZINC000434781749 559909259 /nfs/dbraw/zinc/90/92/59/559909259.db2.gz DEOHQTSFKUKYGW-XFHVWQCUSA-N 1 0 351.491 2.089 20 30 FEEDRO CCN(C[C@@H](C)C#N)C(=O)C(=O)Nc1cccc(CC[N@H+](C)C2CC2)c1 ZINC000437418420 559964442 /nfs/dbraw/zinc/96/44/42/559964442.db2.gz KUIOKCGJCSBZLI-HNNXBMFYSA-N 1 0 356.470 2.270 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CC[C@H](OCC[NH+](CC)CC)C1 ZINC000438061931 559973620 /nfs/dbraw/zinc/97/36/20/559973620.db2.gz VLRYMLAJJWFXSL-SQNIBIBYSA-N 1 0 353.507 2.110 20 30 FEEDRO CN(C)C(=O)c1ccc(C[NH2+]C2CCC(Oc3ncccc3C#N)CC2)[nH]1 ZINC000438496303 559979705 /nfs/dbraw/zinc/97/97/05/559979705.db2.gz UANSPHCEYYKIOP-UHFFFAOYSA-N 1 0 367.453 2.463 20 30 FEEDRO C[C@@H]([NH2+]CCNS(=O)(=O)c1ccc(F)cc1F)c1ccc(C#N)cc1 ZINC000442097796 560043866 /nfs/dbraw/zinc/04/38/66/560043866.db2.gz OTWHPKPVXUQWJF-GFCCVEGCSA-N 1 0 365.405 2.466 20 30 FEEDRO C=CCN(C(=O)C(=O)Nc1cccc(N2CC[NH+](C(C)C)CC2)c1)C1CC1 ZINC000442409145 560050733 /nfs/dbraw/zinc/05/07/33/560050733.db2.gz LTUWJKNRIOKIEC-UHFFFAOYSA-N 1 0 370.497 2.333 20 30 FEEDRO Cc1cc(S(=O)(=O)NCc2ccccc2OCC[NH+](C)C)ccc1C#N ZINC000443896715 560095470 /nfs/dbraw/zinc/09/54/70/560095470.db2.gz FRFMSYNGNJRMCD-UHFFFAOYSA-N 1 0 373.478 2.286 20 30 FEEDRO CCOc1ccc(C#N)cc1NC(=O)C(=O)NCC[N@@H+]1CCCC(C)(C)C1 ZINC000447420172 560161973 /nfs/dbraw/zinc/16/19/73/560161973.db2.gz YKIDLOCLKBHVGA-UHFFFAOYSA-N 1 0 372.469 2.134 20 30 FEEDRO CC[C@@H]([NH2+]CCc1ccc(OC)c(S(N)(=O)=O)c1)c1ccc(C#N)cc1 ZINC000447587067 560165050 /nfs/dbraw/zinc/16/50/50/560165050.db2.gz OHCZRDJXXDUULD-QGZVFWFLSA-N 1 0 373.478 2.498 20 30 FEEDRO Cc1nc(C)n(CCCC(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)n1 ZINC000448817929 560200931 /nfs/dbraw/zinc/20/09/31/560200931.db2.gz ZDTHBXMKULUCQC-UHFFFAOYSA-N 1 0 368.485 2.137 20 30 FEEDRO C[C@H](NC(=O)c1ccc(C#N)n1C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000448843197 560202181 /nfs/dbraw/zinc/20/21/81/560202181.db2.gz CZUDIZGMXIQCDG-AWEZNQCLSA-N 1 0 369.444 2.279 20 30 FEEDRO C=CCC[C@H](CO)[NH2+]C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000449697049 560237320 /nfs/dbraw/zinc/23/73/20/560237320.db2.gz JVESNSXPPMKRMD-QGZVFWFLSA-N 1 0 352.500 2.065 20 30 FEEDRO Cn1nc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c2c1CCCC2 ZINC000449754891 560239044 /nfs/dbraw/zinc/23/90/44/560239044.db2.gz MVXACLKHAOOOFT-UHFFFAOYSA-N 1 0 365.481 2.375 20 30 FEEDRO C[C@@H]1C[C@H](NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC[N@@H+]1C ZINC000449942634 560245932 /nfs/dbraw/zinc/24/59/32/560245932.db2.gz UTYIZOJXAVCNBQ-BPLDGKMQSA-N 1 0 374.872 2.163 20 30 FEEDRO C[NH+](C)C[C@@H](O)COc1ccc(NC(=O)c2ncc(C#N)cc2Cl)cc1 ZINC000450133943 560251633 /nfs/dbraw/zinc/25/16/33/560251633.db2.gz NGWWTHAVGGMOJQ-CQSZACIVSA-N 1 0 374.828 2.160 20 30 FEEDRO CC[NH+]1CCN(c2ccc(CNc3ncc(C#N)cc3[N+](=O)[O-])cn2)CC1 ZINC000450252304 560255840 /nfs/dbraw/zinc/25/58/40/560255840.db2.gz HTZUXCKELHXIIU-UHFFFAOYSA-N 1 0 367.413 2.010 20 30 FEEDRO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CC[C@H](Oc2cccnc2N(C)C)C1 ZINC000451026987 560283044 /nfs/dbraw/zinc/28/30/44/560283044.db2.gz MCDGWSMRSFJSOE-SJORKVTESA-N 1 0 360.502 2.414 20 30 FEEDRO C[C@@H]1CCC[N@H+](CCNS(=O)(=O)c2ccc(CC#N)cc2Cl)C1 ZINC000451052701 560284787 /nfs/dbraw/zinc/28/47/87/560284787.db2.gz BEIWFMZEXLDIFL-CYBMUJFWSA-N 1 0 355.891 2.416 20 30 FEEDRO CS[C@H]1CN(S(=O)(=O)c2ccc(CC#N)cc2Cl)C[C@H]1[NH+](C)C ZINC000451351772 560301971 /nfs/dbraw/zinc/30/19/71/560301971.db2.gz JSEOLVUJKOHPRV-KGLIPLIRSA-N 1 0 373.931 2.072 20 30 FEEDRO C=CCNC(=O)NC(=O)C[NH2+][C@H](CCOC)c1cccc(C(F)(F)F)c1 ZINC000451687043 560321977 /nfs/dbraw/zinc/32/19/77/560321977.db2.gz AVDUVPPPNHQRNR-CQSZACIVSA-N 1 0 373.375 2.384 20 30 FEEDRO CC(C)[C@](C)(C#N)NC(=O)CN1CC[N@H+](Cc2ccccc2)C[C@H](C)C1 ZINC000451706006 560323390 /nfs/dbraw/zinc/32/33/90/560323390.db2.gz JFOKBTBWXOAHKZ-RXVVDRJESA-N 1 0 356.514 2.495 20 30 FEEDRO C=CC(C)(C)C(=O)Nc1cccc(S(=O)(=O)NCCCC[NH+](C)C)c1 ZINC000451766379 560327387 /nfs/dbraw/zinc/32/73/87/560327387.db2.gz XEKGOBGCMUSLFP-UHFFFAOYSA-N 1 0 367.515 2.457 20 30 FEEDRO COC(=O)[C@@H]1C[N@@H+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)C[C@@H]1c1ccccc1 ZINC000452000822 560344277 /nfs/dbraw/zinc/34/42/77/560344277.db2.gz ZTRWFCKVDWWGOY-QTQZEZTPSA-N 1 0 371.481 2.318 20 30 FEEDRO CC(C)(C)CC(C)(C)[NH+]1CCN(S(=O)(=O)c2cncc(C#N)c2)CC1 ZINC000452008291 560344902 /nfs/dbraw/zinc/34/49/02/560344902.db2.gz AMORWIWEZNIXOB-UHFFFAOYSA-N 1 0 364.515 2.474 20 30 FEEDRO CSc1nc(C2CC2)cc(C(=O)N[C@H]2CCC[N@H+](CCCO)C2)c1C#N ZINC000452797835 560374526 /nfs/dbraw/zinc/37/45/26/560374526.db2.gz OAUIDJFZWTVMHQ-AWEZNQCLSA-N 1 0 374.510 2.129 20 30 FEEDRO C=CCn1c(N2CC[N@@H+](CCOCC)[C@H](C)C2)nnc1[C@@]1(C)CCCO1 ZINC000453448038 560386762 /nfs/dbraw/zinc/38/67/62/560386762.db2.gz XTCVSKHABULROR-VQIMIIECSA-N 1 0 363.506 2.037 20 30 FEEDRO C=C(C)Cn1c([C@@H]2CCCCO2)nnc1N1CC[N@@H+](CCOC)[C@H](C)C1 ZINC000453460969 560387219 /nfs/dbraw/zinc/38/72/19/560387219.db2.gz FHNYGIPSNKXJHY-SJORKVTESA-N 1 0 363.506 2.253 20 30 FEEDRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1ccc(CC#N)cc1Cl ZINC000453610961 560391160 /nfs/dbraw/zinc/39/11/60/560391160.db2.gz RFRPYALEAAARTL-CYBMUJFWSA-N 1 0 362.861 2.335 20 30 FEEDRO C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)Nc1ccc(CC#N)cc1Cl ZINC000453617660 560391474 /nfs/dbraw/zinc/39/14/74/560391474.db2.gz YSPPASMBUGQIFY-CYBMUJFWSA-N 1 0 362.861 2.335 20 30 FEEDRO Cc1cc(C#N)cc(NC(=O)C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000453669152 560395167 /nfs/dbraw/zinc/39/51/67/560395167.db2.gz ITEMXRKDVAGXQY-GOSISDBHSA-N 1 0 354.454 2.282 20 30 FEEDRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)Nc2ccc(C#N)c(C)n2)C1 ZINC000453678159 560395959 /nfs/dbraw/zinc/39/59/59/560395959.db2.gz RSCOVUQLJBTSAN-HNNXBMFYSA-N 1 0 371.485 2.217 20 30 FEEDRO C[NH+](C)C1(CNC(=O)C(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)CCC1 ZINC000453689576 560397055 /nfs/dbraw/zinc/39/70/55/560397055.db2.gz GPXNDOKYPSXZLI-UHFFFAOYSA-N 1 0 372.469 2.275 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2nn(C)cc2Br)CC1 ZINC000454467713 560445461 /nfs/dbraw/zinc/44/54/61/560445461.db2.gz RJFHHZKVFUASPY-UHFFFAOYSA-N 1 0 370.295 2.022 20 30 FEEDRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)Nc2cnc(C#N)c(Cl)c2)C1 ZINC000455752516 560493855 /nfs/dbraw/zinc/49/38/55/560493855.db2.gz JEAPXFIOBDSEHU-CYBMUJFWSA-N 1 0 351.838 2.085 20 30 FEEDRO Cc1ccc(C#N)c(N2CCC[C@H](C(=O)NC(C)(C)C[NH+]3CCCC3)C2)n1 ZINC000457048573 560545718 /nfs/dbraw/zinc/54/57/18/560545718.db2.gz JSRAITPUFQFSHJ-SFHVURJKSA-N 1 0 369.513 2.469 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N2C[C@@H](c3ccccc3)[C@@](F)(CO)C2)CC1 ZINC000458331020 560615441 /nfs/dbraw/zinc/61/54/41/560615441.db2.gz HKJGYTPCNVKMCS-ICSRJNTNSA-N 1 0 361.461 2.146 20 30 FEEDRO CO[C@H]([C@H](C)NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)C1CC1 ZINC000459211049 560674326 /nfs/dbraw/zinc/67/43/26/560674326.db2.gz WVVLJPAQSQVTRG-HNAYVOBHSA-N 1 0 358.486 2.445 20 30 FEEDRO CN(CCOCc1ccc(C#N)cc1)C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000459328723 560680138 /nfs/dbraw/zinc/68/01/38/560680138.db2.gz YKKYGMZFGDDMBA-GOSISDBHSA-N 1 0 358.486 2.448 20 30 FEEDRO N#Cc1ccccc1COc1cccc(CN2CC(N3CCNC3=O)C2)c1 ZINC000459554075 560693736 /nfs/dbraw/zinc/69/37/36/560693736.db2.gz ZUWPYUJKKBZQEW-UHFFFAOYSA-N 1 0 362.433 2.347 20 30 FEEDRO COCCN(CC(=O)Nc1sccc1C#N)Cc1c(C)nn(C)c1C ZINC000459574637 560694961 /nfs/dbraw/zinc/69/49/61/560694961.db2.gz TWBRUNWOKSMONJ-UHFFFAOYSA-N 1 0 361.471 2.057 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000459868724 560714989 /nfs/dbraw/zinc/71/49/89/560714989.db2.gz ODOWORXIODJFPA-MRXNPFEDSA-N 1 0 361.511 2.207 20 30 FEEDRO C=C(C)Cn1c(C(=O)NC(CC)CC)nnc1N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000460804418 560752373 /nfs/dbraw/zinc/75/23/73/560752373.db2.gz PWWCVZACNOMMHW-KRWDZBQOSA-N 1 0 374.533 2.446 20 30 FEEDRO C[N@H+](CCc1cccc(NC(=O)C(=O)N[C@H]2CCC[C@@H]2C#N)c1)C1CC1 ZINC000461775556 560782857 /nfs/dbraw/zinc/78/28/57/560782857.db2.gz LAQZSPRDMULBIS-QAPCUYQASA-N 1 0 354.454 2.070 20 30 FEEDRO CC[NH+](CC)CCOc1ccccc1NC(=O)C(=O)N[C@H]1CCC[C@H]1C#N ZINC000461781041 560783164 /nfs/dbraw/zinc/78/31/64/560783164.db2.gz ZOHKRFAOXTVIJR-HOTGVXAUSA-N 1 0 372.469 2.154 20 30 FEEDRO CC[NH+](CC)CCOc1ccc(NC(=O)C(=O)N[C@H]2CCC[C@H]2C#N)cc1 ZINC000461782416 560783213 /nfs/dbraw/zinc/78/32/13/560783213.db2.gz CBUFOGKOSUHTTO-YJBOKZPZSA-N 1 0 372.469 2.154 20 30 FEEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)N[C@H]3CCC[C@@H]3C#N)CC2)cc1 ZINC000461939258 560788881 /nfs/dbraw/zinc/78/88/81/560788881.db2.gz WMMKGFGJIXWVMY-MOPGFXCFSA-N 1 0 351.454 2.468 20 30 FEEDRO C[C@@H](CNC(=O)N1CC(Oc2ccc(C#N)cc2)C1)[NH+]1CCC(C)CC1 ZINC000462009899 560792048 /nfs/dbraw/zinc/79/20/48/560792048.db2.gz RHYYDEQANJHZRG-INIZCTEOSA-N 1 0 356.470 2.451 20 30 FEEDRO C[C@H](C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)c1cccc(C#N)c1 ZINC000462265317 560803681 /nfs/dbraw/zinc/80/36/81/560803681.db2.gz HPWSJYROOWFNMA-XVSDAANHSA-N 1 0 366.509 2.431 20 30 FEEDRO C=CCOc1cc(OC)ccc1C(=O)Nc1ccc(=O)n(CC[NH+](C)C)c1 ZINC000463593363 560819283 /nfs/dbraw/zinc/81/92/83/560819283.db2.gz WBLQEGUMDOEKMF-UHFFFAOYSA-N 1 0 371.437 2.236 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ncc(Cl)cc2C)CC1 ZINC000463665228 560820696 /nfs/dbraw/zinc/82/06/96/560820696.db2.gz OWSNKKZIGNZOND-UHFFFAOYSA-N 1 0 350.850 2.139 20 30 FEEDRO COc1cc(C#N)ccc1S(=O)(=O)NC[C@@H](C)[N@@H+]1CCCC[C@H]1C ZINC000463672196 560820840 /nfs/dbraw/zinc/82/08/40/560820840.db2.gz IFVPTLMCAZGIMT-ZIAGYGMSSA-N 1 0 351.472 2.108 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@H](CCC)CCCS(C)(=O)=O)CC1 ZINC000468753927 560937857 /nfs/dbraw/zinc/93/78/57/560937857.db2.gz AAYJAIYKPQBLDK-MRXNPFEDSA-N 1 0 358.548 2.384 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cn(-c3cc(C)cc(F)c3)nn2)CC1 ZINC000468936004 560942677 /nfs/dbraw/zinc/94/26/77/560942677.db2.gz KBTSBNKKRAFFKF-UHFFFAOYSA-N 1 0 357.433 2.485 20 30 FEEDRO CN(CC[NH+](C)C)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N ZINC000470546093 560984437 /nfs/dbraw/zinc/98/44/37/560984437.db2.gz JXYSZZBWALVLFX-UHFFFAOYSA-N 1 0 357.458 2.295 20 30 FEEDRO C=CCOCCC[NH+]1CCN(Cc2nc(-c3ccc(OC)cc3)no2)CC1 ZINC000470717094 560987988 /nfs/dbraw/zinc/98/79/88/560987988.db2.gz HTNNPURPLKERLQ-UHFFFAOYSA-N 1 0 372.469 2.456 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@@](C)(C(=O)OC)C1)C(C)C ZINC000470900299 560993267 /nfs/dbraw/zinc/99/32/67/560993267.db2.gz OTQZABMHPMQCNG-VQIMIIECSA-N 1 0 351.491 2.280 20 30 FEEDRO Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N3CCC[N@@H+](C(C)C)CC3)C2)n1 ZINC000471875883 561013462 /nfs/dbraw/zinc/01/34/62/561013462.db2.gz KAWAKYCCIMHORL-IBGZPJMESA-N 1 0 369.513 2.421 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N2C[C@@H](CC)N(C(C)=O)C[C@H]2CC)CC1 ZINC000472998340 561039796 /nfs/dbraw/zinc/03/97/96/561039796.db2.gz GBKBEODNHHTKFM-RTBURBONSA-N 1 0 364.534 2.458 20 30 FEEDRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)NCc2cc(C#N)ccc2F)C1 ZINC000473027096 561040653 /nfs/dbraw/zinc/04/06/53/561040653.db2.gz XHTOUOTYNSZYOD-KRWDZBQOSA-N 1 0 362.449 2.340 20 30 FEEDRO Cc1ccccc1[C@@H]([C@@H](C)NS(=O)(=O)c1ccc(C#N)nc1)[NH+](C)C ZINC000473937081 561061129 /nfs/dbraw/zinc/06/11/29/561061129.db2.gz OUOBHFWPGBIFMU-RDTXWAMCSA-N 1 0 358.467 2.231 20 30 FEEDRO CC[NH+](CC)C[C@H]1CCCC[C@H]1NC(=O)CNC(=O)c1ccc(C#N)cc1 ZINC000474473642 561075052 /nfs/dbraw/zinc/07/50/52/561075052.db2.gz FMIIXGYKXJXTHH-RTBURBONSA-N 1 0 370.497 2.305 20 30 FEEDRO CC1CC[NH+](CC(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)CC1 ZINC000474767865 561082394 /nfs/dbraw/zinc/08/23/94/561082394.db2.gz KRWRGUABBOVVQU-UHFFFAOYSA-N 1 0 368.481 2.467 20 30 FEEDRO C[C@@H](O)C[N@@H+]1CCN(C(=O)c2cn(CCCC#N)c3ccccc23)[C@@H](C)C1 ZINC000476850713 561130108 /nfs/dbraw/zinc/13/01/08/561130108.db2.gz KBTQVJBMMZHIRC-DLBZAZTESA-N 1 0 368.481 2.472 20 30 FEEDRO CN(C[C@H](O)COc1ccccc1C#N)[C@H]1CCN(c2ccccc2)C1=O ZINC000528414338 562327811 /nfs/dbraw/zinc/32/78/11/562327811.db2.gz ADRZIEJLUYYKNQ-OALUTQOASA-N 1 0 365.433 2.035 20 30 FEEDRO C[NH+](C)CCCOc1ccc(CNC(=O)Cc2ccc(C#N)nc2)cc1 ZINC000528418551 562328129 /nfs/dbraw/zinc/32/81/29/562328129.db2.gz XCEBDKXSSQNNKK-UHFFFAOYSA-N 1 0 352.438 2.143 20 30 FEEDRO N#Cc1ccccc1OC[C@@H](O)CN1CCO[C@H](Cc2ccccc2)C1 ZINC000528436293 562329215 /nfs/dbraw/zinc/32/92/15/562329215.db2.gz AYGKCKDWWPKRPF-VQTJNVASSA-N 1 0 352.434 2.241 20 30 FEEDRO CCC(C#N)(CC)C(=O)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000528478153 562331340 /nfs/dbraw/zinc/33/13/40/562331340.db2.gz PJCWRGCMPBUCTC-GOSISDBHSA-N 1 0 370.497 2.330 20 30 FEEDRO COc1cccc2c1CC[N@H+](C[C@H](O)COc1ccccc1C#N)CC2 ZINC000528480832 562331611 /nfs/dbraw/zinc/33/16/11/562331611.db2.gz KTJXOWYHJHUOCI-SFHVURJKSA-N 1 0 352.434 2.407 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)NC[C@H]2CC[N@@H+]2C2CCCCC2)cc1F ZINC000528480470 562331621 /nfs/dbraw/zinc/33/16/21/562331621.db2.gz ZXMSLWSSORACOC-OAHLLOKOSA-N 1 0 351.447 2.383 20 30 FEEDRO Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+]C[C@H](O)COc2ccccc2C#N)cn1 ZINC000528558742 562336350 /nfs/dbraw/zinc/33/63/50/562336350.db2.gz ZLHKORZZBRDATL-WDSOQIARSA-N 1 0 354.454 2.032 20 30 FEEDRO COCc1ccc(NC(=O)N2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1C#N ZINC000529206784 562364679 /nfs/dbraw/zinc/36/46/79/562364679.db2.gz GWBFIEFVGJZTPU-LJQANCHMSA-N 1 0 372.469 2.423 20 30 FEEDRO N#Cc1ccccc1OC[C@@H](O)C[NH2+][C@H]1CCCN(c2ccccc2)C1=O ZINC000530230185 562403100 /nfs/dbraw/zinc/40/31/00/562403100.db2.gz FDHFHJFTGCHTQD-OALUTQOASA-N 1 0 365.433 2.083 20 30 FEEDRO COc1ccc2c(c1)[C@@H]([NH2+]C[C@@H](O)COc1ccccc1C#N)CCO2 ZINC000530233196 562403216 /nfs/dbraw/zinc/40/32/16/562403216.db2.gz VAEMYRYKNLJCFR-QAPCUYQASA-N 1 0 354.406 2.420 20 30 FEEDRO Cc1cc(NC(=O)c2cccc(CN3CC[NH+](C)CC3)c2)n(CCC#N)n1 ZINC000531046230 562432903 /nfs/dbraw/zinc/43/29/03/562432903.db2.gz UXEQDOMPMLQMHP-UHFFFAOYSA-N 1 0 366.469 2.105 20 30 FEEDRO C[N@H+](CC1CC1)C[C@@H]1CCN(S(=O)(=O)c2c(F)cc(C#N)cc2F)C1 ZINC000532320656 562473887 /nfs/dbraw/zinc/47/38/87/562473887.db2.gz WKCAVJHMNVCDJP-ZDUSSCGKSA-N 1 0 369.437 2.189 20 30 FEEDRO Cc1ccc(C#N)cc1S(=O)(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000533813443 562518846 /nfs/dbraw/zinc/51/88/46/562518846.db2.gz KZCMFXZEWSKMFU-GOSISDBHSA-N 1 0 357.479 2.318 20 30 FEEDRO N#Cc1ccc(F)c(CS(=O)(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000534305915 562530881 /nfs/dbraw/zinc/53/08/81/562530881.db2.gz LUQIULOZIFRXOM-SFHVURJKSA-N 1 0 373.453 2.391 20 30 FEEDRO CN(C(=O)c1cc(C#N)c[nH]1)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000534359256 562532629 /nfs/dbraw/zinc/53/26/29/562532629.db2.gz HCBQSBPDICDUDK-MOPGFXCFSA-N 1 0 357.502 2.296 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)CCC(=O)c2ccc(F)cc2)c1C#N ZINC000534791762 562542417 /nfs/dbraw/zinc/54/24/17/562542417.db2.gz DTFDRULOJHLYHD-UHFFFAOYSA-N 1 0 357.389 2.174 20 30 FEEDRO N#CCC1CC[NH+](CC(=O)NC2CCN(C(=O)C3CCCCC3)CC2)CC1 ZINC000541948874 562624074 /nfs/dbraw/zinc/62/40/74/562624074.db2.gz NMMZTVNBCHUYJT-UHFFFAOYSA-N 1 0 374.529 2.300 20 30 FEEDRO COc1cc(C#N)ccc1NC(=O)C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000546005240 562632634 /nfs/dbraw/zinc/63/26/34/562632634.db2.gz HHGFZCRCBUGUIX-CQSZACIVSA-N 1 0 372.469 2.132 20 30 FEEDRO C[C@@H](CNC(=O)C(=O)Nc1scc(C(C)(C)C)c1C#N)[N@H+](C)C1CC1 ZINC000555939983 674381947 /nfs/dbraw/zinc/38/19/47/674381947.db2.gz GXXYECPUYOVJAB-NSHDSACASA-N 1 0 362.499 2.455 20 30 FEEDRO N#CCN1CCC([NH2+]C[C@@H](O)COc2cc(Cl)cc(Cl)c2)CC1 ZINC000601967196 567889451 /nfs/dbraw/zinc/88/94/51/567889451.db2.gz UUOGZMSXVJFSSY-OAHLLOKOSA-N 1 0 358.269 2.311 20 30 FEEDRO N#CCc1ccc(OC[C@@H](O)C[NH2+]Cc2cccc3c2CCOC3)cc1 ZINC000601969654 567890259 /nfs/dbraw/zinc/89/02/59/567890259.db2.gz RPMYRQVPNYANNB-IBGZPJMESA-N 1 0 352.434 2.355 20 30 FEEDRO COc1ccc(CC[NH2+]C[C@H](O)COc2ccc(CC#N)cc2)cc1O ZINC000601973642 567891584 /nfs/dbraw/zinc/89/15/84/567891584.db2.gz SRXHUICQFWFZHD-KRWDZBQOSA-N 1 0 356.422 2.039 20 30 FEEDRO C[NH+](C)CCn1c2cc(C(=O)N3CCC(CC#N)CC3)ccc2[nH]c1=O ZINC000602139353 567934901 /nfs/dbraw/zinc/93/49/01/567934901.db2.gz DQTFKTOEPVOHNQ-UHFFFAOYSA-N 1 0 355.442 2.069 20 30 FEEDRO C[N@@H+]1CC[C@H](CC(=O)N2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)C1 ZINC000602144875 567936382 /nfs/dbraw/zinc/93/63/82/567936382.db2.gz QLYTXLSSJSQKKE-CRAIPNDOSA-N 1 0 360.889 2.391 20 30 FEEDRO C[N@@H+]1CC[C@H](CC(=O)N2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)C1 ZINC000602144877 567936393 /nfs/dbraw/zinc/93/63/93/567936393.db2.gz QLYTXLSSJSQKKE-QAPCUYQASA-N 1 0 360.889 2.391 20 30 FEEDRO C[NH+](C)CCn1c2cc(C(=O)NCC3(C#N)CCCC3)ccc2[nH]c1=O ZINC000602172320 567941034 /nfs/dbraw/zinc/94/10/34/567941034.db2.gz PKYDWPZTMOJBSN-UHFFFAOYSA-N 1 0 355.442 2.117 20 30 FEEDRO O=C(NCC[N@H+]1CC[C@@H](O)C1)Nc1cccc(C#Cc2cccs2)c1 ZINC000626250183 567970496 /nfs/dbraw/zinc/97/04/96/567970496.db2.gz ANPFXNULXNKNJZ-QGZVFWFLSA-N 1 0 355.463 2.336 20 30 FEEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000602515508 567986509 /nfs/dbraw/zinc/98/65/09/567986509.db2.gz XDDCYOKZOUBXCF-HNNXBMFYSA-N 1 0 365.499 2.125 20 30 FEEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000602917497 568012490 /nfs/dbraw/zinc/01/24/90/568012490.db2.gz FIOAXTQUGUZWTI-KMUNFCNLSA-N 1 0 369.824 2.299 20 30 FEEDRO C[C@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCC(CCO)(CCO)CC1 ZINC000602966349 568024822 /nfs/dbraw/zinc/02/48/22/568024822.db2.gz BKGVPBGBDQYBDG-GOSISDBHSA-N 1 0 373.497 2.169 20 30 FEEDRO CS(=O)(=O)N1CCC[C@H]([NH2+]Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000568455848 568039812 /nfs/dbraw/zinc/03/98/12/568039812.db2.gz GCFVNDWKWCAIBV-ZDUSSCGKSA-N 1 0 361.389 2.091 20 30 FEEDRO N#Cc1cc(NC(=O)NCc2ccnc(N3CCSCC3)c2)ccn1 ZINC000603117964 568063680 /nfs/dbraw/zinc/06/36/80/568063680.db2.gz DREMUUSDJSZXLC-UHFFFAOYSA-N 1 0 354.439 2.223 20 30 FEEDRO C[C@H](C(=O)N(CCC#N)c1ccccc1)n1cc([C@@H]2CCC[NH2+]C2)nn1 ZINC000603172024 568071127 /nfs/dbraw/zinc/07/11/27/568071127.db2.gz BYJGOJFMUQIQPA-HZPDHXFCSA-N 1 0 352.442 2.253 20 30 FEEDRO N#Cc1cncc(S(=O)(=O)NCC[NH+]2CCC3(CCCCC3)CC2)c1 ZINC000568699377 568131643 /nfs/dbraw/zinc/13/16/43/568131643.db2.gz SDVULPNKKVFXJX-UHFFFAOYSA-N 1 0 362.499 2.278 20 30 FEEDRO C=CC[C@H]1CCN(C(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)C1 ZINC000636899331 568183794 /nfs/dbraw/zinc/18/37/94/568183794.db2.gz DWOJFTWKZLFTND-KRWDZBQOSA-N 1 0 364.534 2.221 20 30 FEEDRO N#Cc1cccc(CCNC(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)c1 ZINC000569146857 568293480 /nfs/dbraw/zinc/29/34/80/568293480.db2.gz KXOKTZPWORQTAY-WOJBJXKFSA-N 1 0 370.497 2.168 20 30 FEEDRO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000604541747 568309687 /nfs/dbraw/zinc/30/96/87/568309687.db2.gz IQEARUQTZRPWLH-OALUTQOASA-N 1 0 358.461 2.409 20 30 FEEDRO C[C@H]1C[C@H](C)C[NH+](CCCNCCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000569421716 568401782 /nfs/dbraw/zinc/40/17/82/568401782.db2.gz XHNNLJKHJRLSNJ-IRXDYDNUSA-N 1 0 363.527 2.290 20 30 FEEDRO C[C@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CCN1Cc1ccc(C#N)cc1 ZINC000737196514 598899692 /nfs/dbraw/zinc/89/96/92/598899692.db2.gz NKDPCQVJQNOJKW-INIZCTEOSA-N 1 0 373.464 2.445 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)CSc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000735399615 598361412 /nfs/dbraw/zinc/36/14/12/598361412.db2.gz RQGWHFUENUKTFH-UHFFFAOYSA-N 1 0 372.498 2.116 20 30 FEEDRO N#Cc1ccnc(N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2CO)c1Cl ZINC000557625274 674457972 /nfs/dbraw/zinc/45/79/72/674457972.db2.gz LFWMIIVJKSFAGI-IAGOWNOFSA-N 1 0 356.857 2.902 20 30 FEEDRO C=CCN(C(=O)C(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C)C(C)C ZINC000808716977 674469604 /nfs/dbraw/zinc/46/96/04/674469604.db2.gz AWNLYNLGBHQMAI-INIZCTEOSA-N 1 0 351.878 2.482 20 30 FEEDRO CN(CCOCc1ccc(C#N)cc1)C(=S)NCC1CC[NH+](C)CC1 ZINC000809164522 674485972 /nfs/dbraw/zinc/48/59/72/674485972.db2.gz WORJHBSERUTVSA-UHFFFAOYSA-N 1 0 360.527 2.223 20 30 FEEDRO C#CCC[NH+]1CCN(c2c(-c3nn[nH]n3)cnc3c(C)cc(F)cc32)CC1 ZINC000823845797 608376647 /nfs/dbraw/zinc/37/66/47/608376647.db2.gz XJIDQRFDDBJCOD-UHFFFAOYSA-N 1 0 365.416 2.008 20 30 FEEDRO C[C@@H]([NH2+]CCC(=O)Nc1sccc1C#N)c1cccc(-c2nn[nH]n2)c1 ZINC000824586005 608484628 /nfs/dbraw/zinc/48/46/28/608484628.db2.gz WFZIOESJVQVCGF-LLVKDONJSA-N 1 0 367.438 2.479 20 30 FEEDRO Cc1oc(NC(=O)C[NH2+][C@@H](C)c2cccc(-c3nn[nH]n3)c2)c(C#N)c1C ZINC000826341394 608486803 /nfs/dbraw/zinc/48/68/03/608486803.db2.gz GPTPGWPMNMTPOL-NSHDSACASA-N 1 0 365.397 2.238 20 30 FEEDRO Cc1ccnc(N2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)c1C#N ZINC000826310732 609527103 /nfs/dbraw/zinc/52/71/03/609527103.db2.gz GKPQJDBPWXUYRY-UHFFFAOYSA-N 1 0 374.452 2.154 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)C(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000560777826 674616253 /nfs/dbraw/zinc/61/62/53/674616253.db2.gz QQSCRKVRTNKSAY-INIZCTEOSA-N 1 0 363.527 2.499 20 30 FEEDRO C=C(C)Cn1c([C@@H](C)OCCOC)nnc1N1CC[NH+](CCC)CC1 ZINC000562757048 674803665 /nfs/dbraw/zinc/80/36/65/674803665.db2.gz OVERWDUZTBISMJ-MRXNPFEDSA-N 1 0 351.495 2.110 20 30 FEEDRO C=CCc1cc(C[N@@H+]2CCC[C@@H](CS(C)(=O)=O)C2)c(O)c(OC)c1 ZINC000814226806 674827112 /nfs/dbraw/zinc/82/71/12/674827112.db2.gz KCBLFDQNIOIWGH-OAHLLOKOSA-N 1 0 353.484 2.386 20 30 FEEDRO CN(CCC#N)C[C@H](O)C[NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 ZINC000562991648 674832125 /nfs/dbraw/zinc/83/21/25/674832125.db2.gz RZNPNQSTMIKIPO-XOKHGSTOSA-N 1 0 355.841 2.105 20 30 FEEDRO COCC[C@@H](Cc1ccco1)[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000563012035 674834670 /nfs/dbraw/zinc/83/46/70/674834670.db2.gz TTWKTBCJCBMKNM-INIZCTEOSA-N 1 0 362.451 2.162 20 30 FEEDRO C[C@H](Cc1ccc(Br)cc1)[NH2+]C[C@@H](O)CN(C)CCC#N ZINC000563347359 674875361 /nfs/dbraw/zinc/87/53/61/674875361.db2.gz PGPVJBCKYHIRRI-CZUORRHYSA-N 1 0 354.292 2.176 20 30 FEEDRO C=CCC(F)(F)C(=O)N1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000815102247 674918623 /nfs/dbraw/zinc/91/86/23/674918623.db2.gz GTQCTPFZKOCDHE-UHFFFAOYSA-N 1 0 359.461 2.140 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C(N)=O)c1ccc(Br)cc1F ZINC000564074768 674970513 /nfs/dbraw/zinc/97/05/13/674970513.db2.gz VKVARBZJAKZIKO-QCZZGDTMSA-N 1 0 357.223 2.295 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+]CCOc2cccc(Cl)c2)nc1 ZINC000564845263 675067258 /nfs/dbraw/zinc/06/72/58/675067258.db2.gz SJJGSTWTYUAUNQ-UHFFFAOYSA-N 1 0 365.842 2.049 20 30 FEEDRO CNC(=S)C(C(=O)c1ccc2c(c1)CCO2)[n+]1ccc(N(C)C)cc1 ZINC000027300651 670077867 /nfs/dbraw/zinc/07/78/67/670077867.db2.gz RKBYBYSVYYORGI-UHFFFAOYSA-O 1 0 356.471 2.133 20 30 FEEDRO C#CCOc1ccc(Br)cc1C[NH2+]CCN(C)CCOC ZINC000061376653 670394772 /nfs/dbraw/zinc/39/47/72/670394772.db2.gz JVZLZEUFXPEPGG-UHFFFAOYSA-N 1 0 355.276 2.129 20 30 FEEDRO C[NH+]=C(NCC[S@](=O)C(C)(C)C)N1CCN(c2ccc(F)cc2)CC1 ZINC000088667151 670692765 /nfs/dbraw/zinc/69/27/65/670692765.db2.gz ROSHAXMRGDYQQR-RUZDIDTESA-N 1 0 368.522 2.070 20 30 FEEDRO COCc1cc(C[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)ccc1F ZINC000570444972 670715130 /nfs/dbraw/zinc/71/51/30/670715130.db2.gz QSURLCFGDZXGHD-UHFFFAOYSA-N 1 0 362.426 2.407 20 30 FEEDRO C=CCOc1ccc(C[N@H+](CCO)CCN2CCOCC2)cc1Cl ZINC000092186416 670735370 /nfs/dbraw/zinc/73/53/70/670735370.db2.gz WLJUDZVEOBSJEH-UHFFFAOYSA-N 1 0 354.878 2.031 20 30 FEEDRO CC(C)[N@H+](C)C[C@H](C)NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 ZINC000570737110 670761084 /nfs/dbraw/zinc/76/10/84/670761084.db2.gz XQZBZSBLWALTNC-HNNXBMFYSA-N 1 0 365.499 2.223 20 30 FEEDRO C=C(C)Cn1c([C@H](C)OCCOC)nnc1N1CC[NH+](C(C)C)CC1 ZINC000570811126 670773075 /nfs/dbraw/zinc/77/30/75/670773075.db2.gz ORTMUTWIKQHQKF-INIZCTEOSA-N 1 0 351.495 2.109 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)CC1 ZINC000106038099 670808647 /nfs/dbraw/zinc/80/86/47/670808647.db2.gz JFCULJYGWJEUOG-UHFFFAOYSA-N 1 0 372.437 2.453 20 30 FEEDRO C#CCOc1ccc(Br)cc1C[NH2+]CC1(O)CCOCC1 ZINC000112717143 670875974 /nfs/dbraw/zinc/87/59/74/670875974.db2.gz SHIWWFQSSXJPSE-UHFFFAOYSA-N 1 0 354.244 2.092 20 30 FEEDRO C[NH+]=C(NCc1nnc(-c2ccc(Br)cc2)[nH]1)NC(C)C ZINC000113773242 670888278 /nfs/dbraw/zinc/88/82/78/670888278.db2.gz LPQWJKKZVXJKBT-UHFFFAOYSA-N 1 0 351.252 2.308 20 30 FEEDRO N#Cc1ccc(CS(=O)(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)c(F)c1 ZINC000572429094 671000399 /nfs/dbraw/zinc/00/03/99/671000399.db2.gz LGMOLLXALLTXND-MRXNPFEDSA-N 1 0 351.447 2.087 20 30 FEEDRO CN(CCC#N)C[C@H](O)C[NH2+]CCC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000573835861 671170621 /nfs/dbraw/zinc/17/06/21/671170621.db2.gz YOFKBYYMNRTVBX-OAHLLOKOSA-N 1 0 373.284 2.118 20 30 FEEDRO CC(C)C[C@@H](CN1CCCC1)[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000574192820 671213390 /nfs/dbraw/zinc/21/33/90/671213390.db2.gz MMPSMKZIUNWTPH-SFHVURJKSA-N 1 0 363.527 2.432 20 30 FEEDRO C[C@@H]([NH3+])[C@H]1CCCN(S(=O)(=O)c2ccc(C#N)c(Br)c2)C1 ZINC000566216088 675194613 /nfs/dbraw/zinc/19/46/13/675194613.db2.gz LOKCLCUKQKYPAN-PWSUYJOCSA-N 1 0 372.288 2.069 20 30 FEEDRO N#CCCC[C@@H]([NH3+])C(=O)N1CCO[C@@H](c2ccccc2Br)C1 ZINC000818101853 675196321 /nfs/dbraw/zinc/19/63/21/675196321.db2.gz XGPALQNEYBNTGJ-HUUCEWRRSA-N 1 0 366.259 2.370 20 30 FEEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CCN3C[C@H]4C[NH2+]C[C@H]4C3)sc2C1 ZINC000609144210 675911800 /nfs/dbraw/zinc/91/18/00/675911800.db2.gz BMJGPRULJNAGQP-MCIONIFRSA-N 1 0 358.511 2.224 20 30 FEEDRO N#Cc1c(Br)cccc1S(=O)(=O)N1CCCC[C@@H]1CC[NH3+] ZINC000578442776 671665937 /nfs/dbraw/zinc/66/59/37/671665937.db2.gz HXTBKOGZXJJARB-LLVKDONJSA-N 1 0 372.288 2.213 20 30 FEEDRO CCOc1ccc(C[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)cc1F ZINC000579582622 671746217 /nfs/dbraw/zinc/74/62/17/671746217.db2.gz IMDAEOIDAIKJRQ-UHFFFAOYSA-N 1 0 363.414 2.055 20 30 FEEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+]CCOc2ncccc2Cl)c1 ZINC000579582728 671746253 /nfs/dbraw/zinc/74/62/53/671746253.db2.gz LLSMTEDOJBQKQE-UHFFFAOYSA-N 1 0 365.842 2.049 20 30 FEEDRO CCN(CC)c1ccc(/C=[NH+]/C[C@@H]2CCC[C@H]2NS(C)(=O)=O)c(O)c1 ZINC000129372186 672061650 /nfs/dbraw/zinc/06/16/50/672061650.db2.gz UQGBGYGRYXVABJ-FCMIHCFBSA-N 1 0 367.515 2.375 20 30 FEEDRO C#CCSCCNC(=O)N[C@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 ZINC000129602290 672064756 /nfs/dbraw/zinc/06/47/56/672064756.db2.gz KHJDXBZEIZSHED-HOTGVXAUSA-N 1 0 353.438 2.376 20 30 FEEDRO CS(=O)(=O)N[C@@H]1CCC[C@H]1CNC(=[NH2+])Nc1cccc2c1CCCC2 ZINC000134118029 672119783 /nfs/dbraw/zinc/11/97/83/672119783.db2.gz ODUBRNMVEPEATA-GOEBONIOSA-N 1 0 364.515 2.010 20 30 FEEDRO C#CCOCCC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000151917796 672171518 /nfs/dbraw/zinc/17/15/18/672171518.db2.gz UYNRXCFUHURKPG-MRXNPFEDSA-N 1 0 354.372 2.436 20 30 FEEDRO C[NH+]=C(NCc1nncn1-c1ccccc1)N1CCS[C@@H](C(C)C)C1 ZINC000153765859 672204080 /nfs/dbraw/zinc/20/40/80/672204080.db2.gz IPLVQMFZCCASRB-MRXNPFEDSA-N 1 0 358.515 2.416 20 30 FEEDRO CC[NH+]=C(NCCN1CCc2sccc2C1)N1CC[C@@]2(CCOC2)C1 ZINC000158086654 672265810 /nfs/dbraw/zinc/26/58/10/672265810.db2.gz HUJDJSULTVLUHD-LJQANCHMSA-N 1 0 362.543 2.184 20 30 FEEDRO [NH2+]=C(NCC(=O)Nc1cccnc1)Nc1ccccc1OC(F)(F)F ZINC000160706137 672292778 /nfs/dbraw/zinc/29/27/78/672292778.db2.gz LOPAZJPOGNHOEZ-UHFFFAOYSA-N 1 0 353.304 2.346 20 30 FEEDRO CN(C)C(NCc1cccc(CS(C)(=O)=O)c1)=[NH+]Cc1ccccc1 ZINC000170912470 672327101 /nfs/dbraw/zinc/32/71/01/672327101.db2.gz RUXBMDSMGOWDOV-UHFFFAOYSA-N 1 0 359.495 2.439 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)NC[C@@H](CC(C)C)NC(=O)OCC)CC1 ZINC000171716599 672335116 /nfs/dbraw/zinc/33/51/16/672335116.db2.gz ZEZLICVGCMODFR-MRXNPFEDSA-N 1 0 354.495 2.097 20 30 FEEDRO C=CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000179210377 672399949 /nfs/dbraw/zinc/39/99/49/672399949.db2.gz ZOKZEPCUAGKFQZ-CVEARBPZSA-N 1 0 351.491 2.400 20 30 FEEDRO C=CC[C@H](C)[NH2+][C@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000180947271 672420162 /nfs/dbraw/zinc/42/01/62/672420162.db2.gz CKPRRLOSWXTXBX-QWHCGFSZSA-N 1 0 360.501 2.027 20 30 FEEDRO N#CCc1ccc(OC[C@H](O)C[N@@H+]2CC[C@H](n3cc(Cl)cn3)C2)cc1 ZINC000589309740 672521514 /nfs/dbraw/zinc/52/15/14/672521514.db2.gz FQAVLTFGLLFRPS-DLBZAZTESA-N 1 0 360.845 2.289 20 30 FEEDRO N#C[C@@H]1CCC[C@@H]([NH2+]CC2CCN(S(=O)(=O)C(F)(F)F)CC2)C1 ZINC000185825605 672535123 /nfs/dbraw/zinc/53/51/23/672535123.db2.gz CWQOWCXZMJXMPJ-CHWSQXEVSA-N 1 0 353.410 2.220 20 30 FEEDRO C[C@H](c1ccccc1)[C@@H](CO)[NH2+][C@H]1CCN(c2sccc2C#N)C1=O ZINC000591029351 672643201 /nfs/dbraw/zinc/64/32/01/672643201.db2.gz JJOLPMQQFITPHX-XOKHGSTOSA-N 1 0 355.463 2.479 20 30 FEEDRO CC[C@@H]1CN(C(=O)C(=O)Nc2ccccc2SCCC#N)CC[C@@H]1[NH3+] ZINC000591304006 672667512 /nfs/dbraw/zinc/66/75/12/672667512.db2.gz JQWSYSFRINEAGE-KGLIPLIRSA-N 1 0 360.483 2.217 20 30 FEEDRO C[N@@H+]1CCC[C@H](CNC(=O)N2CC[C@](O)(CC#N)C2)[C@H]1c1cccs1 ZINC000591965248 672727205 /nfs/dbraw/zinc/72/72/05/672727205.db2.gz HKOMVBRPCDTMJQ-UWWQBHOKSA-N 1 0 362.499 2.191 20 30 FEEDRO CC1(C)CN(CC#Cc2ccc(OC(F)(F)F)cc2)CC[N@@H+]1CCO ZINC000682035398 672728946 /nfs/dbraw/zinc/72/89/46/672728946.db2.gz WRUYWJAKTCDJMD-UHFFFAOYSA-N 1 0 356.388 2.325 20 30 FEEDRO CSc1cc(F)ccc1NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C ZINC000592290274 672781671 /nfs/dbraw/zinc/78/16/71/672781671.db2.gz BJMVKYMAHVKITO-UHFFFAOYSA-N 1 0 366.462 2.180 20 30 FEEDRO C[C@H]1CCCN(S(=O)(=O)c2ccc(C#N)c(Br)c2)[C@H]1C[NH3+] ZINC000592370561 672792938 /nfs/dbraw/zinc/79/29/38/672792938.db2.gz RHCSMCOIPYERCJ-HZMBPMFUSA-N 1 0 372.288 2.069 20 30 FEEDRO CO[C@@H](CC(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1)C(F)(F)F ZINC000593059093 672869599 /nfs/dbraw/zinc/86/95/99/672869599.db2.gz HMCXSPYEKCNRKZ-HNNXBMFYSA-N 1 0 357.376 2.416 20 30 FEEDRO C#CCNC(N[C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1)=[NH+]C ZINC000261703225 672901647 /nfs/dbraw/zinc/90/16/47/672901647.db2.gz GJRHKDACWIJNDH-NSHDSACASA-N 1 0 359.783 2.131 20 30 FEEDRO CC[S@](=O)[C@@H]1CCC[C@H](NC(N[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)=[NH+]C)C1 ZINC000261742583 672902177 /nfs/dbraw/zinc/90/21/77/672902177.db2.gz MSDUHBWJOFAEHR-UZJPZGKNSA-N 1 0 355.548 2.045 20 30 FEEDRO C[NH+]=C(NCC1(O)CCCCC1)N(C)Cc1cc(Br)cn1C ZINC000261761272 672902504 /nfs/dbraw/zinc/90/25/04/672902504.db2.gz NAPYOCZJDDAKOF-UHFFFAOYSA-N 1 0 371.323 2.490 20 30 FEEDRO CCc1nc(CNC(=[NH+]C)N2CCN([C@@H](C)C(F)(F)F)CC2)cs1 ZINC000261876646 672904592 /nfs/dbraw/zinc/90/45/92/672904592.db2.gz ORZNLQSFXZOFLK-NSHDSACASA-N 1 0 363.453 2.349 20 30 FEEDRO CC[NH+]=C(NCCc1cccc(C)c1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261931060 672905630 /nfs/dbraw/zinc/90/56/30/672905630.db2.gz BJHHSTJMMXUSJD-UHFFFAOYSA-N 1 0 351.516 2.012 20 30 FEEDRO C[NH+]=C(NCc1csc([C@H](C)OC)n1)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000261968527 672906434 /nfs/dbraw/zinc/90/64/34/672906434.db2.gz QDRYGMFIZTWINZ-MHEUCROKSA-N 1 0 364.515 2.473 20 30 FEEDRO CC[NH+]=C(NCc1ccc(Cl)cc1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261964968 672906593 /nfs/dbraw/zinc/90/65/93/672906593.db2.gz LDVMQRXNFJXKTG-UHFFFAOYSA-N 1 0 357.907 2.315 20 30 FEEDRO [NH2+]=C(NC[C@@H]1CCCCS1(=O)=O)Nc1ccccc1OC(F)(F)F ZINC000262247874 672911765 /nfs/dbraw/zinc/91/17/65/672911765.db2.gz OZVCNMMOUCMRIR-JTQLQIEISA-N 1 0 365.377 2.279 20 30 FEEDRO C#Cc1cccc(NC(=O)CNC(NCc2nc(C)c(C)s2)=[NH+]C)c1 ZINC000262340868 672913475 /nfs/dbraw/zinc/91/34/75/672913475.db2.gz COJAMVCBUARXJO-UHFFFAOYSA-N 1 0 355.467 2.045 20 30 FEEDRO C[NH+]=C(NCC(=O)N(C)C)N1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000262338128 672913519 /nfs/dbraw/zinc/91/35/19/672913519.db2.gz WOKPYGRYGLCIBT-CYBMUJFWSA-N 1 0 356.392 2.158 20 30 FEEDRO CC(C)C[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)NC1C[C@H](C)C[C@@H](C)C1 ZINC000262341827 672913865 /nfs/dbraw/zinc/91/38/65/672913865.db2.gz CSHIQXDNDGGIGO-OAGGEKHMSA-N 1 0 357.564 2.437 20 30 FEEDRO O=S1(=O)CC[C@H](CNC(=[NH+]C2CCCCC2)N2CC[C@H](C3CC3)C2)C1 ZINC000262365733 672914201 /nfs/dbraw/zinc/91/42/01/672914201.db2.gz HPYFTDNOMCJSME-WBVHZDCISA-N 1 0 367.559 2.431 20 30 FEEDRO C[NH+]=C(NCC1(c2cccc(Cl)c2)CC1)NC[C@]1(O)CCSC1 ZINC000262431251 672915630 /nfs/dbraw/zinc/91/56/30/672915630.db2.gz SOAYFOCHJRIQOK-QGZVFWFLSA-N 1 0 353.919 2.405 20 30 FEEDRO CC(C)C[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N1CCC[C@H](C(C)C)C1 ZINC000262445503 672915918 /nfs/dbraw/zinc/91/59/18/672915918.db2.gz VGOKXMHGGOGHMZ-IRXDYDNUSA-N 1 0 357.564 2.391 20 30 FEEDRO CC(C)C[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N[C@@H]1CC[C@H](C)[C@H](C)C1 ZINC000262473550 672916631 /nfs/dbraw/zinc/91/66/31/672916631.db2.gz ZLBPXGDASPCNMQ-VVLHAWIVSA-N 1 0 357.564 2.437 20 30 FEEDRO O=S1(=O)CC[C@H](CNC(N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)=[NH+]C2CC2)C1 ZINC000262475584 672917136 /nfs/dbraw/zinc/91/71/36/672917136.db2.gz ZRRIASOBOVRDMJ-JYYAWHABSA-N 1 0 353.532 2.088 20 30 FEEDRO C#CCNC(NC[C@H]1CCN(c2cccc(Br)c2)C1)=[NH+]CC ZINC000262609241 672918248 /nfs/dbraw/zinc/91/82/48/672918248.db2.gz AIDORVIVUCKUSN-CQSZACIVSA-N 1 0 363.303 2.464 20 30 FEEDRO COc1ccncc1CNC(=[NH2+])N1CCN(c2ccc(Cl)cc2)CC1 ZINC000262655860 672918675 /nfs/dbraw/zinc/91/86/75/672918675.db2.gz UPAFDUFRFZKOLX-UHFFFAOYSA-N 1 0 359.861 2.381 20 30 FEEDRO [NH2+]=C(NC[C@@H](N1CCOCC1)C(F)(F)F)Nc1ccc2c(c1)CCC2 ZINC000262669758 672919102 /nfs/dbraw/zinc/91/91/02/672919102.db2.gz QMFVWHODCOCFAK-OAHLLOKOSA-N 1 0 356.392 2.165 20 30 FEEDRO C[NH+]=C(NCc1ccc(Br)c(F)c1)N[C@@H]1CCN(C2CC2)C1 ZINC000262768851 672920545 /nfs/dbraw/zinc/92/05/45/672920545.db2.gz JPRHZMAZILQIBR-GFCCVEGCSA-N 1 0 369.282 2.490 20 30 FEEDRO C[NH+]=C(NC[C@](C)(O)c1cc(C)oc1C)NC[C@]1(C)CCCC[C@@H]1O ZINC000262823731 672921672 /nfs/dbraw/zinc/92/16/72/672921672.db2.gz ZDIABVANGIHGCS-WDSOQIARSA-N 1 0 351.491 2.210 20 30 FEEDRO CC[NH+]=C(NCc1cc(Br)c2c(c1)OCCO2)NC1CC1 ZINC000263108240 672927875 /nfs/dbraw/zinc/92/78/75/672927875.db2.gz DCWVCSRZVIFIQT-UHFFFAOYSA-N 1 0 354.248 2.438 20 30 FEEDRO COc1cccnc1CNC(=[NH2+])N1CCN(c2ccc(Cl)cc2)CC1 ZINC000263173433 672929685 /nfs/dbraw/zinc/92/96/85/672929685.db2.gz SLAMTJOLUYJWQY-UHFFFAOYSA-N 1 0 359.861 2.381 20 30 FEEDRO C[N@@H+]1CC[C@H]2CCN(C(=O)Cc3ccc(Br)cc3C#N)[C@H]2C1 ZINC000593589996 672952632 /nfs/dbraw/zinc/95/26/32/672952632.db2.gz WPPPFVDUKIDWQG-LRDDRELGSA-N 1 0 362.271 2.416 20 30 FEEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000593591454 672952919 /nfs/dbraw/zinc/95/29/19/672952919.db2.gz IXNFHQXSFQNUBK-ZIAGYGMSSA-N 1 0 353.444 2.208 20 30 FEEDRO CCNC(NCCCN1CCN(c2ccccc2Cl)CC1)=[NH+]CC ZINC000303368274 673017176 /nfs/dbraw/zinc/01/71/76/673017176.db2.gz IQPQMTOVQLDSSP-UHFFFAOYSA-N 1 0 351.926 2.427 20 30 FEEDRO [NH2+]=C(NCC(=O)NCc1ccco1)Nc1ccc(OC(F)(F)F)cc1 ZINC000303771747 673017477 /nfs/dbraw/zinc/01/74/77/673017477.db2.gz CWRYMPPJYZSAPR-UHFFFAOYSA-N 1 0 356.304 2.221 20 30 FEEDRO CN(CCCNC(=[NH2+])Nc1ccc2c(c1)OCCCO2)CC(F)(F)F ZINC000303889894 673018333 /nfs/dbraw/zinc/01/83/33/673018333.db2.gz MGUQKYOHZQUJJW-UHFFFAOYSA-N 1 0 360.380 2.459 20 30 FEEDRO CC(C)NC(=[NH2+])NC[C@@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1 ZINC000303975212 673018947 /nfs/dbraw/zinc/01/89/47/673018947.db2.gz IVASTGMAIBUVJR-HNNXBMFYSA-N 1 0 358.408 2.391 20 30 FEEDRO Cc1nc(NC(=O)[C@@H]([NH3+])CCCCC#N)ccc1I ZINC000594443621 673072412 /nfs/dbraw/zinc/07/24/12/673072412.db2.gz FXYBXGPDNLRXAQ-NSHDSACASA-N 1 0 372.210 2.344 20 30 FEEDRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)Nc2ccccc2SCCC#N)C1 ZINC000594317675 673057227 /nfs/dbraw/zinc/05/72/27/673057227.db2.gz BKYLIOWZCNKBAO-OKILXGFUSA-N 1 0 360.483 2.087 20 30 FEEDRO N#CCCCC[C@@H]([NH3+])C(=O)NCC(=O)Nc1cc(Cl)ccc1Cl ZINC000594425456 673070872 /nfs/dbraw/zinc/07/08/72/673070872.db2.gz JQLWLSACAQDTES-GFCCVEGCSA-N 1 0 357.241 2.459 20 30 FEEDRO N#CCCCC[C@H]([NH3+])C(=O)N1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000594427856 673070998 /nfs/dbraw/zinc/07/09/98/673070998.db2.gz KMOMPYPSWYOMQN-INIZCTEOSA-N 1 0 362.861 2.036 20 30 FEEDRO N#CCCCC[C@@H]([NH3+])C(=O)N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000594444837 673072718 /nfs/dbraw/zinc/07/27/18/673072718.db2.gz DFSLKYATJVXXLC-HUUCEWRRSA-N 1 0 366.824 2.112 20 30 FEEDRO CCN(CC)C(=O)CCC1CCN(C(=O)[C@@H]([NH3+])CCCCC#N)CC1 ZINC000594447582 673073393 /nfs/dbraw/zinc/07/33/93/673073393.db2.gz ZKGABSWLBADBHM-KRWDZBQOSA-N 1 0 350.507 2.285 20 30 FEEDRO C[C@H](NC(=O)NC[C@H]1C[N@H+](C)CCN1C)c1nc(C(C)(C)C)cs1 ZINC000329417865 673077030 /nfs/dbraw/zinc/07/70/30/673077030.db2.gz DNMYMJNWDOQCKO-STQMWFEESA-N 1 0 353.536 2.251 20 30 FEEDRO O=C(N[C@H]1CC(=O)N(c2ccccc2Cl)C1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000329451284 673077555 /nfs/dbraw/zinc/07/75/55/673077555.db2.gz MZCMCCSTGGMWIY-UONOGXRCSA-N 1 0 362.861 2.139 20 30 FEEDRO CCCS(=O)(=O)N1CCC[C@H]1C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000329944401 673084874 /nfs/dbraw/zinc/08/48/74/673084874.db2.gz IJXANPKSXNCENK-INIZCTEOSA-N 1 0 357.520 2.022 20 30 FEEDRO CC(=O)N1CCC[C@H](CNC(=O)N2CCN(Cc3cccs3)CC2)C1 ZINC000329995341 673085218 /nfs/dbraw/zinc/08/52/18/673085218.db2.gz NAMTWSNABGWDQP-MRXNPFEDSA-N 1 0 364.515 2.038 20 30 FEEDRO N#Cc1cc(F)c(N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cc1Br ZINC000594548767 673096783 /nfs/dbraw/zinc/09/67/83/673096783.db2.gz CKLXWGSMTPECNV-HOCLYGCPSA-N 1 0 368.250 2.495 20 30 FEEDRO CCN(C[C@H](C)C#N)S(=O)(=O)N1CCC2(CCC([NH+](C)C)CC2)CC1 ZINC000595346117 673228950 /nfs/dbraw/zinc/22/89/50/673228950.db2.gz DNYITJQHGIGEKP-MRXNPFEDSA-N 1 0 370.563 2.299 20 30 FEEDRO C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)Cc1ccc(OCC#N)cc1 ZINC000729267021 673230798 /nfs/dbraw/zinc/23/07/98/673230798.db2.gz HWALRIMPKYOPBC-AWEZNQCLSA-N 1 0 359.451 2.429 20 30 FEEDRO N#Cc1sccc1N1CCN(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000595496111 673257947 /nfs/dbraw/zinc/25/79/47/673257947.db2.gz VPWUMIUDQWJXRG-GJZGRUSLSA-N 1 0 359.499 2.078 20 30 FEEDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)N2CCN(c3ccsc3C#N)CC2)C1 ZINC000595546200 673264036 /nfs/dbraw/zinc/26/40/36/673264036.db2.gz LHDPITMBWFIERU-HNNXBMFYSA-N 1 0 361.515 2.182 20 30 FEEDRO COC[C@H]([NH2+]CC(=O)Nc1sc(C)c(C)c1C#N)C1CCOCC1 ZINC000595613638 673273197 /nfs/dbraw/zinc/27/31/97/673273197.db2.gz CGLSYKBLNWXMEO-HNNXBMFYSA-N 1 0 351.472 2.206 20 30 FEEDRO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)C[C@H]1COCCO1 ZINC000595746041 673288606 /nfs/dbraw/zinc/28/86/06/673288606.db2.gz ZUUSJUFGOROMGF-ZDUSSCGKSA-N 1 0 363.483 2.174 20 30 FEEDRO C#CCOc1ccc(Br)cc1C[NH2+][C@@H]1CCN(CCOC)C1 ZINC000730817534 673292709 /nfs/dbraw/zinc/29/27/09/673292709.db2.gz QGUMCODZZUHXPL-MRXNPFEDSA-N 1 0 367.287 2.271 20 30 FEEDRO N#CCCC[C@H]([NH3+])C(=O)N1CCOc2cc(Br)ccc2C1 ZINC000595948441 673343197 /nfs/dbraw/zinc/34/31/97/673343197.db2.gz KGFNMUVKVCPDFG-ZDUSSCGKSA-N 1 0 352.232 2.191 20 30 FEEDRO CC(=NNC(=S)NCCC[NH+](C)C)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000731929323 673348400 /nfs/dbraw/zinc/34/84/00/673348400.db2.gz VJOYYRKAJISZNU-UHFFFAOYSA-N 1 0 357.867 2.388 20 30 FEEDRO COc1ccc(C=NNC(=S)NCCC[NH+](C)C)c(Cl)c1OC ZINC000731930540 673348500 /nfs/dbraw/zinc/34/85/00/673348500.db2.gz BFQIBUJVVAGBSV-UHFFFAOYSA-N 1 0 358.895 2.107 20 30 FEEDRO N#Cc1nc(N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)sc1Cl ZINC000596136368 673362158 /nfs/dbraw/zinc/36/21/58/673362158.db2.gz SZXFTNPPPHOZPX-ZIAGYGMSSA-N 1 0 362.886 2.963 20 30 FEEDRO C=CCCSCCNC(=O)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000596719475 673406971 /nfs/dbraw/zinc/40/69/71/673406971.db2.gz STZRQMWUWRFZAB-GOSISDBHSA-N 1 0 363.527 2.362 20 30 FEEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1csc2cncn21 ZINC000733938589 673444880 /nfs/dbraw/zinc/44/48/80/673444880.db2.gz XBWXZYYIHMLXJP-UHFFFAOYSA-N 1 0 353.451 2.471 20 30 FEEDRO C=CCCSCCNC(=O)C(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000597224035 673458136 /nfs/dbraw/zinc/45/81/36/673458136.db2.gz BZEHVOCHXCJDOW-QAPCUYQASA-N 1 0 355.548 2.039 20 30 FEEDRO C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N(CC)CCSC ZINC000597283313 673463340 /nfs/dbraw/zinc/46/33/40/673463340.db2.gz CYGWDHWXZSUSTA-CABCVRRESA-N 1 0 351.520 2.189 20 30 FEEDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)COc1cccc(Br)c1C#N ZINC000597698661 673500595 /nfs/dbraw/zinc/50/05/95/673500595.db2.gz HDXXLRRCLNEKBX-RISCZKNCSA-N 1 0 366.259 2.251 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)OCC(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC000735939305 673508444 /nfs/dbraw/zinc/50/84/44/673508444.db2.gz CYGOQSOGMFXJRY-UHFFFAOYSA-N 1 0 352.793 2.306 20 30 FEEDRO C=CC[C@@H](CO)CNC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000540409209 673537997 /nfs/dbraw/zinc/53/79/97/673537997.db2.gz BBINQMJWZGZEJM-HZPDHXFCSA-N 1 0 351.516 2.444 20 30 FEEDRO CC(C)(C#N)C[C@@H](O)C[N@@H+]1CCC[C@H](S(=O)(=O)Nc2ccccc2)C1 ZINC000598601069 673588186 /nfs/dbraw/zinc/58/81/86/673588186.db2.gz DAWXZXPOACVYTB-SJORKVTESA-N 1 0 365.499 2.193 20 30 FEEDRO CCN(CC)S(=O)(=O)c1ccc(C[NH2+]C[C@@H](O)CC(C)(C)C#N)s1 ZINC000598715426 673602615 /nfs/dbraw/zinc/60/26/15/673602615.db2.gz QHUOBDHDKNXKFX-ZDUSSCGKSA-N 1 0 373.544 2.169 20 30 FEEDRO Cc1cccc(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1C#N ZINC000599099696 673633287 /nfs/dbraw/zinc/63/32/87/673633287.db2.gz CGJRWCGRZXFJFB-WCQYABFASA-N 1 0 361.389 2.015 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)CCc2nc(-c3cccs3)no2)CC1 ZINC000740737111 673651896 /nfs/dbraw/zinc/65/18/96/673651896.db2.gz YOGJSAWBCLTXPK-UHFFFAOYSA-N 1 0 358.467 2.335 20 30 FEEDRO COC[C@H]([NH2+]C[C@H](O)CC1(C#N)CCOCC1)c1ccc(F)c(F)c1 ZINC000599354570 673662998 /nfs/dbraw/zinc/66/29/98/673662998.db2.gz QJSQQUDZIDRIHY-PBHICJAKSA-N 1 0 354.397 2.313 20 30 FEEDRO C[N@H+](C[C@H](O)CC1(C#N)CCOCC1)C1CCN(CC(F)(F)F)CC1 ZINC000599434606 673675392 /nfs/dbraw/zinc/67/53/92/673675392.db2.gz CTIWXMDIQCWKMT-OAHLLOKOSA-N 1 0 363.424 2.016 20 30 FEEDRO N#Cc1c(F)cccc1S(=O)(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000742301155 673720473 /nfs/dbraw/zinc/72/04/73/673720473.db2.gz KZTNZENQHACCRU-CQSZACIVSA-N 1 0 351.447 2.336 20 30 FEEDRO C#CCOc1ccc(Br)cc1C[NH2+]C[C@@H](O)c1cnn(C)c1 ZINC000742376607 673725760 /nfs/dbraw/zinc/72/57/60/673725760.db2.gz ZFUMQEAPYBIBGP-OAHLLOKOSA-N 1 0 364.243 2.018 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)C(=O)c2ccc(Br)cc2)CC1 ZINC000743489648 673761548 /nfs/dbraw/zinc/76/15/48/673761548.db2.gz JAASALGHEGFCBM-UHFFFAOYSA-N 1 0 363.255 2.236 20 30 FEEDRO C[C@H](COc1ccc(F)cc1F)[NH2+]C[C@@H](O)CC1(C#N)CCOCC1 ZINC000600720781 673794307 /nfs/dbraw/zinc/79/43/07/673794307.db2.gz QMCHDMPEUQTGQO-HIFRSBDPSA-N 1 0 354.397 2.393 20 30 FEEDRO C[C@H](COc1ccc(F)cc1F)[NH2+]C[C@H](O)CC1(C#N)CCOCC1 ZINC000600720782 673794404 /nfs/dbraw/zinc/79/44/04/673794404.db2.gz QMCHDMPEUQTGQO-UKRRQHHQSA-N 1 0 354.397 2.393 20 30 FEEDRO N#CC1(C[C@H](O)C[NH2+][C@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)CC1 ZINC000600732581 673795144 /nfs/dbraw/zinc/79/51/44/673795144.db2.gz SILCODDYMZSZEH-WFASDCNBSA-N 1 0 351.809 2.229 20 30 FEEDRO Cn1c(C[NH2+]C[C@H](O)CC2(C#N)CCOCC2)nc2cccc(Cl)c21 ZINC000600734274 673795564 /nfs/dbraw/zinc/79/55/64/673795564.db2.gz HROKOFKSNOSRHD-CYBMUJFWSA-N 1 0 362.861 2.388 20 30 FEEDRO CC[N@@H+]1CCC[C@@H]1CNC(=S)N(CCOC)Cc1ccc(C#N)cc1 ZINC000745695332 673846766 /nfs/dbraw/zinc/84/67/66/673846766.db2.gz MKSRCLBYSIAAEJ-GOSISDBHSA-N 1 0 360.527 2.365 20 30 FEEDRO C[C@@H]1[C@H]([NH+](C)C)CCN1S(=O)(=O)c1cc(Br)ccc1C#N ZINC000601419949 673859305 /nfs/dbraw/zinc/85/93/05/673859305.db2.gz BFQJSTDFWICIML-ZWNOBZJWSA-N 1 0 372.288 2.034 20 30 FEEDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1S(=O)(=O)c1cc(Br)ccc1C#N ZINC000601419948 673859411 /nfs/dbraw/zinc/85/94/11/673859411.db2.gz BFQJSTDFWICIML-MFKMUULPSA-N 1 0 372.288 2.034 20 30 FEEDRO CCC1([NH+](C)C)CCN(S(=O)(=O)c2c(F)cc(C#N)cc2F)CC1 ZINC000601503961 673872284 /nfs/dbraw/zinc/87/22/84/673872284.db2.gz VIQYUQHEKGBMCH-UHFFFAOYSA-N 1 0 357.426 2.331 20 30 FEEDRO N#Cc1ccccc1OC[C@H](O)C[NH2+]C[C@H](CO)c1ccc(Cl)cc1 ZINC000601969827 673900644 /nfs/dbraw/zinc/90/06/44/673900644.db2.gz FOQTVTCSWKLTLZ-SJLPKXTDSA-N 1 0 360.841 2.317 20 30 FEEDRO C[C@]12C[N@H+](Cc3ccc(C#N)cc3C(F)(F)F)C[C@@]1(C)C(=O)NC2=O ZINC000602725300 673910224 /nfs/dbraw/zinc/91/02/24/673910224.db2.gz PBOYTZPWGSMJTK-IYBDPMFKSA-N 1 0 351.328 2.062 20 30 FEEDRO CO[C@H]1C[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)[C@](C)(CO)C1 ZINC000602964734 673914756 /nfs/dbraw/zinc/91/47/56/673914756.db2.gz SXUOAMDDXYDTOK-PBHICJAKSA-N 1 0 351.834 2.012 20 30 FEEDRO N#Cc1ccsc1N1CC[C@H](n2cc(C[NH2+]C3CCCC3)nn2)C1=O ZINC000603195107 673918931 /nfs/dbraw/zinc/91/89/31/673918931.db2.gz RRUSEGUXVQOHQU-HNNXBMFYSA-N 1 0 356.455 2.221 20 30 FEEDRO CCCC[N@@H+]1CCCC[C@@H]1CNc1ccc(C#N)cc1CS(N)(=O)=O ZINC000603284277 673922220 /nfs/dbraw/zinc/92/22/20/673922220.db2.gz KBNSRYNXBWPUOD-QGZVFWFLSA-N 1 0 364.515 2.413 20 30 FEEDRO N#Cc1ccc(NCCCCC[NH+]2CCCCC2)c(CS(N)(=O)=O)c1 ZINC000603304335 673924023 /nfs/dbraw/zinc/92/40/23/673924023.db2.gz PPTCBHOMWZISGL-UHFFFAOYSA-N 1 0 364.515 2.415 20 30 FEEDRO Cc1cc(N(C)C)ccc1C[NH2+]CCS(=O)(=O)c1cccc(C#N)c1 ZINC000819077846 675258479 /nfs/dbraw/zinc/25/84/79/675258479.db2.gz PILPMMUNLZQMSH-UHFFFAOYSA-N 1 0 357.479 2.496 20 30 FEEDRO CC[C@@H](CS(=O)(=O)c1ccccc1)[NH2+]C[C@H](O)c1ccc(C#N)cc1 ZINC000819187697 675267962 /nfs/dbraw/zinc/26/79/62/675267962.db2.gz QFCGSWDQWXEUEE-HKUYNNGSSA-N 1 0 358.463 2.434 20 30 FEEDRO C#CCNC(=O)CC[NH2+][C@@H](C)[C@H](OC)c1ccc(Br)cc1 ZINC000819209154 675270228 /nfs/dbraw/zinc/27/02/28/675270228.db2.gz UTTAPFDBJSOMCE-LRDDRELGSA-N 1 0 353.260 2.254 20 30 FEEDRO Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+]C[C@H](O)c2ccc(C#N)cc2)cc1 ZINC000819241841 675273226 /nfs/dbraw/zinc/27/32/26/675273226.db2.gz XQMBAEPHAOVEEP-BEFAXECRSA-N 1 0 358.463 2.352 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)NCCC[C@@H]2CCC[NH2+]2)cc1Br ZINC000567352003 675286530 /nfs/dbraw/zinc/28/65/30/675286530.db2.gz LFFWWMPJQWJWKT-LBPRGKRZSA-N 1 0 372.288 2.131 20 30 FEEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)NCCC[NH2+]C(C)C ZINC000567873626 675331761 /nfs/dbraw/zinc/33/17/61/675331761.db2.gz FIPPGKOQPLQPKF-UHFFFAOYSA-N 1 0 357.907 2.420 20 30 FEEDRO C#CCN(CC(=O)NC[C@H](C)[N@@H+]1CCCC[C@H]1C)C(=O)OC(C)(C)C ZINC000821986749 675462405 /nfs/dbraw/zinc/46/24/05/675462405.db2.gz WXTXGGMJODVLJJ-CVEARBPZSA-N 1 0 351.491 2.236 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCC1SCCS1 ZINC000823411163 675551244 /nfs/dbraw/zinc/55/12/44/675551244.db2.gz JPNHAGRBGKLJHO-UHFFFAOYSA-N 1 0 364.540 2.438 20 30 FEEDRO C#CCOc1ccc(Br)cc1C[NH2+][C@H]1CC[C@@H](C(N)=O)C1 ZINC000825278937 675644738 /nfs/dbraw/zinc/64/47/38/675644738.db2.gz LIVVLYVKEJFUDB-RISCZKNCSA-N 1 0 351.244 2.205 20 30 FEEDRO N#Cc1ccc(N2CC[NH+](C[C@H]3CNc4ccnn4C3)CC2)c(Cl)c1 ZINC000619265094 676370331 /nfs/dbraw/zinc/37/03/31/676370331.db2.gz AQNOTLZSQZFUGC-OAHLLOKOSA-N 1 0 356.861 2.272 20 30 FEEDRO C[NH+](C)C[C@@H](Cc1ccccc1)NS(=O)(=O)c1cccc(CC#N)c1 ZINC000619477979 676379306 /nfs/dbraw/zinc/37/93/06/676379306.db2.gz RBDSAWFIABBSML-GOSISDBHSA-N 1 0 357.479 2.204 20 30 FEEDRO CCN(CCC#N)S(=O)(=O)N1CC[N@H+](Cc2ccccc2)CC[C@@H]1C ZINC000619711366 676391553 /nfs/dbraw/zinc/39/15/53/676391553.db2.gz UJQJQXPXWGZLDV-KRWDZBQOSA-N 1 0 364.515 2.063 20 30 FEEDRO N#Cc1ccc(CNC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)cc1Cl ZINC000619828204 676396591 /nfs/dbraw/zinc/39/65/91/676396591.db2.gz ONQDVEKTZOIYDU-HNNXBMFYSA-N 1 0 362.861 2.075 20 30 FEEDRO C=CC(C)(C)CCNC(=O)C(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC000625522465 676653469 /nfs/dbraw/zinc/65/34/69/676653469.db2.gz VHTINEDYNYKBFI-UHFFFAOYSA-N 1 0 351.516 2.357 20 30 FEEDRO C=CCC1([NH2+]CC(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)CCCCC1 ZINC000625937239 676679071 /nfs/dbraw/zinc/67/90/71/676679071.db2.gz QJXFKLMJDNQCSU-UHFFFAOYSA-N 1 0 365.499 2.450 20 30 FEEDRO C[C@](O)(C[N@@H+]1CC[C@](O)(CC#N)C1)c1ccc(Br)cc1F ZINC000829999184 677021016 /nfs/dbraw/zinc/02/10/16/677021016.db2.gz YBNNYCWSLJGNJJ-LSDHHAIUSA-N 1 0 357.223 2.146 20 30 FEEDRO CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](CCCOc2ccc(C#N)cc2)C1 ZINC000830675557 677054262 /nfs/dbraw/zinc/05/42/62/677054262.db2.gz YCEHKSZLIFTPEH-INIZCTEOSA-N 1 0 355.360 2.328 20 30 FEEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SC[C@@H]1CCN(C)C1=O ZINC000641433128 677205965 /nfs/dbraw/zinc/20/59/65/677205965.db2.gz KLGAEFWKXPTJEV-HNNXBMFYSA-N 1 0 363.531 2.063 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N2CCC(Oc3ccc(Cl)cn3)CC2)CC1 ZINC000838378986 680689694 /nfs/dbraw/zinc/68/96/94/680689694.db2.gz DBCSWCVQXARGOH-UHFFFAOYSA-N 1 0 361.873 2.450 20 30 FEEDRO C=CCN1CC[C@@H]([NH2+][C@@H](CCO)c2cccc(OC(F)(F)F)c2)C1=O ZINC000646017544 677277099 /nfs/dbraw/zinc/27/70/99/677277099.db2.gz YMLHHGCKRVDNNP-LSDHHAIUSA-N 1 0 358.360 2.385 20 30 FEEDRO C#CC[N@@H+](C)CCCNC(=O)Nc1ccc(OCCOC)c(Cl)c1 ZINC000838624341 680706698 /nfs/dbraw/zinc/70/66/98/680706698.db2.gz SJEUAZPJRSZGEF-UHFFFAOYSA-N 1 0 353.850 2.442 20 30 FEEDRO C=CCc1cc(CNC(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)cc(OC)c1OC ZINC000659445003 678178176 /nfs/dbraw/zinc/17/81/76/678178176.db2.gz LRIXHECYOCAIOG-HUUCEWRRSA-N 1 0 351.422 2.013 20 30 FEEDRO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+](C)CCCN(C)C(=O)OC(C)(C)C ZINC000839658496 680769751 /nfs/dbraw/zinc/76/97/51/680769751.db2.gz URRIJPGBGCDDPR-AWEZNQCLSA-N 1 0 352.479 2.126 20 30 FEEDRO C[N@H+](CCCOc1cccc(C#N)c1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000763410278 680782495 /nfs/dbraw/zinc/78/24/95/680782495.db2.gz JOIPEMHZDGJTEP-OAHLLOKOSA-N 1 0 355.360 2.422 20 30 FEEDRO C#CC[C@@]1(C(=O)N[C@H](C)CC[NH+](C)C)CCCN1C(=O)OC(C)(C)C ZINC000764509597 680812464 /nfs/dbraw/zinc/81/24/64/680812464.db2.gz VRHJRKAVHYAWCU-BEFAXECRSA-N 1 0 351.491 2.236 20 30 FEEDRO C#CCC[NH+]1CCC(NS(=O)(=O)c2cccc3c(C)ccnc32)CC1 ZINC000840951950 680856559 /nfs/dbraw/zinc/85/65/59/680856559.db2.gz OOKPPXBXUGTBAR-UHFFFAOYSA-N 1 0 357.479 2.309 20 30 FEEDRO CCN(CC)C(=O)c1ccc(NC(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)cc1Cl ZINC000841027928 680860565 /nfs/dbraw/zinc/86/05/65/680860565.db2.gz GQIKBECQJYDUMD-IAQYHMDHSA-N 1 0 363.849 2.055 20 30 FEEDRO C#CC[N@@H+](CCCN1C(=O)CS/C1=C\C(=O)OC)C1CCCCC1 ZINC000747814245 679904867 /nfs/dbraw/zinc/90/48/67/679904867.db2.gz WXHYTEZYGSQWFX-LGMDPLHJSA-N 1 0 350.484 2.234 20 30 FEEDRO C[N@@H+](Cc1ccc(C#N)s1)C[C@H]1CCCN(C(=O)[C@]23C[C@H]2COC3)C1 ZINC001017133566 680070417 /nfs/dbraw/zinc/07/04/17/680070417.db2.gz SLZODWFTZGHNEV-VCBZYWHSSA-N 1 0 359.495 2.327 20 30 FEEDRO C=CCC1(C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)CN(C(=O)OC(C)(C)C)C1 ZINC000912045907 685304751 /nfs/dbraw/zinc/30/47/51/685304751.db2.gz BTNMSLZSMSOASG-GASCZTMLSA-N 1 0 351.491 2.256 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2cc(O)ccc2Cl)C1 ZINC001019407462 680092456 /nfs/dbraw/zinc/09/24/56/680092456.db2.gz BXFXLLIIUKGORA-LXZKKBNFSA-N 1 0 350.846 2.327 20 30 FEEDRO C=C(Cl)C(C)(C)C(=O)N1C[C@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@@]2(C)C1 ZINC000992955740 680138308 /nfs/dbraw/zinc/13/83/08/680138308.db2.gz CWSUHJIWUUOKGX-VCBZYWHSSA-N 1 0 367.921 2.166 20 30 FEEDRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C ZINC000832489914 680139106 /nfs/dbraw/zinc/13/91/06/680139106.db2.gz GGICNKOTFKPYDP-QLFBSQMISA-N 1 0 352.479 2.172 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@H]21 ZINC000978721199 680179490 /nfs/dbraw/zinc/17/94/90/680179490.db2.gz SMQHMGIYDBKXPJ-DZVNLGKHSA-N 1 0 357.479 2.005 20 30 FEEDRO C#C[C@@H](NC(=O)[C@H](C)C[NH+]1CCOCC1)c1ccc(Br)cc1 ZINC000833231282 680191630 /nfs/dbraw/zinc/19/16/30/680191630.db2.gz SHQHMLXFJXNYHH-CZUORRHYSA-N 1 0 365.271 2.208 20 30 FEEDRO CC(C)Oc1cc(Br)cc(C(=O)N[C@H]2C[NH2+]C[C@H]2C#N)c1 ZINC000834479952 680233102 /nfs/dbraw/zinc/23/31/02/680233102.db2.gz JWASUHZSAGHQTM-RISCZKNCSA-N 1 0 352.232 2.078 20 30 FEEDRO Cc1cc(C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)nn1-c1ccc(Cl)c(Cl)c1 ZINC000834484480 680233220 /nfs/dbraw/zinc/23/32/20/680233220.db2.gz JLDDXCRSNGORPO-ZUZCIYMTSA-N 1 0 364.236 2.329 20 30 FEEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)c1ccc(Br)cc1Br ZINC000834484523 680233236 /nfs/dbraw/zinc/23/32/36/680233236.db2.gz KBLUAHQDIAPIJK-HQJQHLMTSA-N 1 0 373.048 2.053 20 30 FEEDRO Cn1c(C(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)ccc1-c1ccc(Br)cc1 ZINC000834493088 680234562 /nfs/dbraw/zinc/23/45/62/680234562.db2.gz AJQJTYCATNPRQV-JSGCOSHPSA-N 1 0 373.254 2.296 20 30 FEEDRO C[C@H](Oc1ccc(Cl)cc1Br)C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000834516735 680237170 /nfs/dbraw/zinc/23/71/70/680237170.db2.gz LLHHRJSBRALBJO-YGOYTEALSA-N 1 0 372.650 2.098 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@]2(C)C[N@@H+]([C@@H](C)COC)C[C@]2(C)C1 ZINC000982282221 680274547 /nfs/dbraw/zinc/27/45/47/680274547.db2.gz RCNOSBUHEOAXGU-SQIBXOBRSA-N 1 0 350.503 2.173 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@H](C[NH2+]CC2CCOCC2)C1 ZINC001024196264 680283929 /nfs/dbraw/zinc/28/39/29/680283929.db2.gz OPXIITMIKNOZGW-FHWLQOOXSA-N 1 0 350.503 2.222 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CC1CCOCC1 ZINC001028192727 680372228 /nfs/dbraw/zinc/37/22/28/680372228.db2.gz KMEYUXRIDLCPLI-FHWLQOOXSA-N 1 0 350.503 2.365 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([C@@H](C)[NH2+]Cc2cnns2)CC1 ZINC001029101508 680386225 /nfs/dbraw/zinc/38/62/25/680386225.db2.gz HGIOXYIYHLERFT-XYPHTWIQSA-N 1 0 364.515 2.236 20 30 FEEDRO CC[C@@H]1[C@@H](NC(=O)c2sccc2C[NH+](C)C)CCN1C(=O)[C@H](C)C#N ZINC000984967046 680401401 /nfs/dbraw/zinc/40/14/01/680401401.db2.gz LRGIRZJTRYGRKN-VHDGCEQUSA-N 1 0 362.499 2.079 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)NCc1cccc(OCC(F)(F)F)c1 ZINC000836221359 680437035 /nfs/dbraw/zinc/43/70/35/680437035.db2.gz AKDSJBZMTQBNKW-UHFFFAOYSA-N 1 0 357.376 2.382 20 30 FEEDRO C=C(Br)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1 ZINC001034697213 680438449 /nfs/dbraw/zinc/43/84/49/680438449.db2.gz DKYRMMWKPRFVEQ-ZWFSKFMGSA-N 1 0 369.303 2.335 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2snnc2C)CC1 ZINC001034754729 680440191 /nfs/dbraw/zinc/44/01/91/680440191.db2.gz PLHWRLCHTYBVLC-JKQORVJESA-N 1 0 364.515 2.345 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)NCc1ccc(Br)c(F)c1 ZINC000836264327 680442437 /nfs/dbraw/zinc/44/24/37/680442437.db2.gz NLUVVWXJJAITLP-UHFFFAOYSA-N 1 0 356.239 2.343 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1C[N@H+](CC2CCCCC2)CCO1 ZINC001035371316 680445028 /nfs/dbraw/zinc/44/50/28/680445028.db2.gz ZWZIZPMSHWUGMM-OTWHNJEPSA-N 1 0 350.503 2.365 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([N@H+](C)CC2CCOCC2)CC1 ZINC000985435046 680447813 /nfs/dbraw/zinc/44/78/13/680447813.db2.gz GWQVKPQKUZFTBY-MOPGFXCFSA-N 1 0 350.503 2.317 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC2(C1)CC[NH+]([C@@H](C)COC)CC2 ZINC001040882106 680492962 /nfs/dbraw/zinc/49/29/62/680492962.db2.gz YKHMMCCDBPCDAA-BZSNNMDCSA-N 1 0 350.503 2.317 20 30 FEEDRO C#CC[N@H+]1CC[C@]2(CCN(C(=O)CC[C@@H]3CC[C@H](C(F)(F)F)O3)C2)C1 ZINC001041376750 680506169 /nfs/dbraw/zinc/50/61/69/680506169.db2.gz VEQLYDLOLVEYFS-UXLLHSPISA-N 1 0 358.404 2.434 20 30 FEEDRO C[C@@H]1CN(c2nc(Cl)c(C#N)s2)C[C@H]1NC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001042511155 680533509 /nfs/dbraw/zinc/53/35/09/680533509.db2.gz VRPRRTJDAXOJOG-GRYCIOLGSA-N 1 0 367.906 2.093 20 30 FEEDRO C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1Nc1nc(C#N)c(Cl)s1 ZINC001043096217 680560556 /nfs/dbraw/zinc/56/05/56/680560556.db2.gz WWOKFINTXYTVBJ-YUSALJHKSA-N 1 0 353.879 2.021 20 30 FEEDRO C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1Nc1snc(Cl)c1C#N ZINC001043359020 680577488 /nfs/dbraw/zinc/57/74/88/680577488.db2.gz PXLHFABAJHQSCZ-WQAKAFBOSA-N 1 0 367.906 2.267 20 30 FEEDRO C=C(Cl)C(C)(C)C(=O)N1CC([C@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001006189083 680598447 /nfs/dbraw/zinc/59/84/47/680598447.db2.gz VUNAQDKOIDNNPQ-YWPYICTPSA-N 1 0 355.910 2.068 20 30 FEEDRO C=CCC[NH+]1CCC2(CO[C@@H](CNC(=O)[C@@H]3CCO[C@H]3CC)C2)CC1 ZINC001045674374 680637692 /nfs/dbraw/zinc/63/76/92/680637692.db2.gz WCYPUOUNNMYCKT-KURKYZTESA-N 1 0 350.503 2.365 20 30 FEEDRO C#CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3C[C@H]3c3ccc(C)s3)CC2)C1 ZINC001046068778 680643550 /nfs/dbraw/zinc/64/35/50/680643550.db2.gz TUQJBKHBWKGQFL-RCCFBDPRSA-N 1 0 357.523 2.012 20 30 FEEDRO C#CCNC(=S)C(C(=O)c1ccc(C(=O)OC)cc1)[n+]1ccccc1 ZINC000766290336 680872928 /nfs/dbraw/zinc/87/29/28/680872928.db2.gz WAQXDSPKWDZKAI-UHFFFAOYSA-O 1 0 353.423 2.195 20 30 FEEDRO CC(=NNC(=S)NCCC[NH+](C)C)c1nc(C(F)(F)F)cs1 ZINC000767378096 680909658 /nfs/dbraw/zinc/90/96/58/680909658.db2.gz MOUMPBGSWJCGRW-UHFFFAOYSA-N 1 0 353.439 2.302 20 30 FEEDRO C#C[C@H](NC(=O)N[C@H]1CC[NH2+]C[C@@H]1C)c1ccc(Br)cc1 ZINC000841990365 680920402 /nfs/dbraw/zinc/92/04/02/680920402.db2.gz XJTWGZPIUMAOMW-CQDKDKBSSA-N 1 0 350.260 2.421 20 30 FEEDRO C#C[C@H](NC(=O)N[C@H]1CC[NH2+]C[C@H]1C)c1ccc(Br)cc1 ZINC000841990369 680920459 /nfs/dbraw/zinc/92/04/59/680920459.db2.gz XJTWGZPIUMAOMW-UGFHNGPFSA-N 1 0 350.260 2.421 20 30 FEEDRO CN(C1CCC([NH3+])CC1)S(=O)(=O)c1cccc(Br)c1C#N ZINC000842737841 680963083 /nfs/dbraw/zinc/96/30/83/680963083.db2.gz QKKIVARWZYZCSD-UHFFFAOYSA-N 1 0 372.288 2.211 20 30 FEEDRO COCCN(C)CCNC(NCc1ccc(OC)cc1)=[NH+]C(C)(C)C ZINC000912509208 685388675 /nfs/dbraw/zinc/38/86/75/685388675.db2.gz XEFGMQVGOBYKMH-UHFFFAOYSA-N 1 0 350.507 2.107 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)NCCCCCC[NH3+])cc1Br ZINC000842915301 680975129 /nfs/dbraw/zinc/97/51/29/680975129.db2.gz LEOBFLTYKSKRMC-UHFFFAOYSA-N 1 0 360.277 2.118 20 30 FEEDRO N#Cc1ccc(OC[C@H](O)C[NH2+]C[C@@H](O)c2ccc(Cl)c(F)c2)cc1 ZINC000843096114 680987413 /nfs/dbraw/zinc/98/74/13/680987413.db2.gz XCOAZQSEHSOESO-RDTXWAMCSA-N 1 0 364.804 2.414 20 30 FEEDRO N#Cc1ccc(OC[C@@H](O)C[NH2+]C[C@H](O)c2cc(F)cc(Cl)c2)cc1 ZINC000843111652 680988300 /nfs/dbraw/zinc/98/83/00/680988300.db2.gz LPQNNNWEHZEVEZ-WMZOPIPTSA-N 1 0 364.804 2.414 20 30 FEEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)C1(c2cccc(Br)c2)CCCC1 ZINC000843463516 681004988 /nfs/dbraw/zinc/00/49/88/681004988.db2.gz XAKRJRUBMSOZEZ-IUODEOHRSA-N 1 0 362.271 2.489 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N[C@H](C)C[C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000843930597 681026626 /nfs/dbraw/zinc/02/66/26/681026626.db2.gz TWZCEIFHLAIDNX-HUUCEWRRSA-N 1 0 351.491 2.140 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC2(C1)CC[NH+](C[C@H](C)OC)CC2 ZINC001050693583 681054277 /nfs/dbraw/zinc/05/42/77/681054277.db2.gz JKNHBMBMZZHAQF-BZSNNMDCSA-N 1 0 350.503 2.317 20 30 FEEDRO C[C@@H]1CCC[N@@H+]1CC(=O)N[C@H]1CCN(c2snc(Cl)c2C#N)[C@@H]1C ZINC001051027096 681060827 /nfs/dbraw/zinc/06/08/27/681060827.db2.gz KLWRJXDCJCNDSY-WZRBSPASSA-N 1 0 367.906 2.236 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@@H](C[NH2+]Cc2ccccc2Cl)C1 ZINC001051834612 681069662 /nfs/dbraw/zinc/06/96/62/681069662.db2.gz SBXNIEBLBAFMQC-JZXOWHBKSA-N 1 0 364.873 2.248 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)OCc2csc(CC(=O)OC(C)C)n2)CC1 ZINC000772109524 681086184 /nfs/dbraw/zinc/08/61/84/681086184.db2.gz KKWMJLBEMOVCQG-UHFFFAOYSA-N 1 0 364.467 2.026 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)OC[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000772115422 681086462 /nfs/dbraw/zinc/08/64/62/681086462.db2.gz GQWAFUWABNGUIG-HNNXBMFYSA-N 1 0 350.459 2.132 20 30 FEEDRO C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1CNc1nc(C#N)c(Cl)s1 ZINC001054411009 681107558 /nfs/dbraw/zinc/10/75/58/681107558.db2.gz ZVBRTAUOAQWJPV-VXGBXAGGSA-N 1 0 367.906 2.270 20 30 FEEDRO C=C(C)CONC(=O)N[C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000845596450 681140364 /nfs/dbraw/zinc/14/03/64/681140364.db2.gz WGLNSGLOOXLUBJ-AWEZNQCLSA-N 1 0 350.438 2.445 20 30 FEEDRO C[C@@H]1[C@H](C(=O)N2CC[C@H](N(C)c3nc(C#N)c(Cl)s3)C2)CC[N@@H+]1C ZINC001057052935 681158495 /nfs/dbraw/zinc/15/84/95/681158495.db2.gz SIUYJTIPOLVGET-GRYCIOLGSA-N 1 0 367.906 2.045 20 30 FEEDRO C#CCCCNC(=O)C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000845891452 681160140 /nfs/dbraw/zinc/16/01/40/681160140.db2.gz SZVFQGMBHNELDV-UHFFFAOYSA-N 1 0 359.495 2.343 20 30 FEEDRO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](Nc3nc(C#N)c(Cl)s3)C2)CC[N@@H+]1C ZINC001059096711 681178692 /nfs/dbraw/zinc/17/86/92/681178692.db2.gz NHFCTBPUXRFPJP-GMXVVIOVSA-N 1 0 367.906 2.411 20 30 FEEDRO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](Nc3snc(Cl)c3C#N)C2)CC[N@@H+]1C ZINC001059859098 681187096 /nfs/dbraw/zinc/18/70/96/681187096.db2.gz MVOWLFACSHPPSX-SRRSOLGSSA-N 1 0 367.906 2.458 20 30 FEEDRO C=C(Br)CNC(=O)C(=O)NCCC[N@@H+](CC)C1CCCCC1 ZINC000846741981 681284167 /nfs/dbraw/zinc/28/41/67/681284167.db2.gz AXIBIUPIDCKINM-UHFFFAOYSA-N 1 0 374.323 2.172 20 30 FEEDRO C=CCN1CC[C@H]([N@H+]2CC[C@H](CNC(=O)OC(C)(C)C)[C@@H](C)C2)C1=O ZINC000932709671 681294116 /nfs/dbraw/zinc/29/41/16/681294116.db2.gz XIGYMMBREBGZCV-XHSDSOJGSA-N 1 0 351.491 2.256 20 30 FEEDRO C#C[C@H](NC(=O)N(CC[NH+](CC)CC)CCC(F)(F)F)[C@@H]1CCCO1 ZINC000776230006 681374834 /nfs/dbraw/zinc/37/48/34/681374834.db2.gz ZDHGJMTVBFTAFC-GJZGRUSLSA-N 1 0 363.424 2.473 20 30 FEEDRO C#CCC1([NH2+]CC(=O)N(CCCC)[C@H]2CCS(=O)(=O)C2)CCCCC1 ZINC000933267826 681382229 /nfs/dbraw/zinc/38/22/29/681382229.db2.gz OSGXXDMWWJLHQK-KRWDZBQOSA-N 1 0 368.543 2.118 20 30 FEEDRO C#CCC[NH+]1CCN(C[C@@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000776593107 681412617 /nfs/dbraw/zinc/41/26/17/681412617.db2.gz REOLOZJEOMDVHU-OAHLLOKOSA-N 1 0 357.281 2.374 20 30 FEEDRO C=CC1(CC(=O)N(C)[C@@H]2CCC[N@H+](C)C2)CN(C(=O)OC(C)(C)C)C1 ZINC000933485826 681419812 /nfs/dbraw/zinc/41/98/12/681419812.db2.gz HWCPBIRBMJAMGY-OAHLLOKOSA-N 1 0 351.491 2.352 20 30 FEEDRO C[N@H+](Cc1ccccc1)CC(C)(C)C=NNC1CCS(=O)(=O)CC1 ZINC000776791606 681436363 /nfs/dbraw/zinc/43/63/63/681436363.db2.gz ANCQVXBFKSSQAV-UHFFFAOYSA-N 1 0 351.516 2.297 20 30 FEEDRO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1C[C@@H]2CCC[C@]2(C(N)=O)C1 ZINC000933753882 681463703 /nfs/dbraw/zinc/46/37/03/681463703.db2.gz AQBYBJICWDTWFK-FNFWKMNBSA-N 1 0 360.845 2.126 20 30 FEEDRO CN(C)[S@](C)(=O)=NCC1CC[NH+](CCOc2ccc(C#N)cc2)CC1 ZINC000934750430 681620847 /nfs/dbraw/zinc/62/08/47/681620847.db2.gz PDSKRPILPPRASZ-RUZDIDTESA-N 1 0 364.515 2.223 20 30 FEEDRO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCC(CN=[S@](C)(=O)N(C)C)CC1 ZINC000934750012 681620914 /nfs/dbraw/zinc/62/09/14/681620914.db2.gz KVVRNNSPUFPHDE-CPJLOUKISA-N 1 0 372.579 2.086 20 30 FEEDRO C[C@@H]1C[N@@H+](C[C@@H](O)CC2(C#N)CCOCC2)C[C@H](C)N1CC(F)(F)F ZINC000934790642 681634790 /nfs/dbraw/zinc/63/47/90/681634790.db2.gz DEOFSOXLMXLREY-ZNMIVQPWSA-N 1 0 363.424 2.015 20 30 FEEDRO CC[NH+](CC)CC#C[C@H](C)OC(=O)[C@H](C(C)C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000778686031 681639386 /nfs/dbraw/zinc/63/93/86/681639386.db2.gz SSAKTKRSOXTOOH-OKYOBFRVSA-N 1 0 352.519 2.397 20 30 FEEDRO C=CCC[C@H](O)C[NH2+][C@@H](CO)c1ccccc1I ZINC000934828151 681643784 /nfs/dbraw/zinc/64/37/84/681643784.db2.gz IAWOBOPGCIALLF-FZMZJTMJSA-N 1 0 361.223 2.241 20 30 FEEDRO CCNC(NCC1(COC)CCN(C(=O)OC(C)(C)C)CC1)=[NH+]CC ZINC000849002891 681647359 /nfs/dbraw/zinc/64/73/59/681647359.db2.gz XIQPVNWEIOPDRK-UHFFFAOYSA-N 1 0 356.511 2.225 20 30 FEEDRO C[NH+]=C(NC[C@H](CO)Cc1ccc(C)c(Br)c1)NC1CC1 ZINC000849109837 681654914 /nfs/dbraw/zinc/65/49/14/681654914.db2.gz JKEMRVUQXCAKAZ-CYBMUJFWSA-N 1 0 354.292 2.236 20 30 FEEDRO CN(C)C(=[NH+]C[C@@H](CO)Cc1cc(Br)ccc1F)N(C)C ZINC000849115268 681657634 /nfs/dbraw/zinc/65/76/34/681657634.db2.gz MCMOVNGTZXESRK-NSHDSACASA-N 1 0 360.271 2.218 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(CC)C1C[NH+](CC[C@H]2CCCO2)C1 ZINC000952428924 681784402 /nfs/dbraw/zinc/78/44/02/681784402.db2.gz CVUPUXKQNIOKKB-QYZOEREBSA-N 1 0 350.503 2.460 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(CC)C1C[NH+](CC[C@@H]2CCOC2)C1 ZINC000952429460 681784458 /nfs/dbraw/zinc/78/44/58/681784458.db2.gz NQGBAJXZACPQQQ-NEWSRXKRSA-N 1 0 350.503 2.317 20 30 FEEDRO CCOc1c(Br)cc(C(=O)NCC#CC[NH+](C)C)cc1OC ZINC000913515240 685479234 /nfs/dbraw/zinc/47/92/34/685479234.db2.gz OHIMVBQTHUUPPW-UHFFFAOYSA-N 1 0 369.259 2.151 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)N1CCC[C@@H]2[C@@H]1CCN2C(=O)OC(C)(C)C ZINC000913777651 685484991 /nfs/dbraw/zinc/48/49/91/685484991.db2.gz LQFMNOFLEZVKHZ-CVEARBPZSA-N 1 0 351.491 2.495 20 30 FEEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)Nc1ncc(Cc2cc(F)cc(F)c2)s1 ZINC000850764789 681958355 /nfs/dbraw/zinc/95/83/55/681958355.db2.gz TVHZHLMNFJVVEQ-HZMBPMFUSA-N 1 0 363.393 2.245 20 30 FEEDRO C[NH+]1CCC([C@H]2CCN(S(=O)(=O)Cc3csc(C#N)c3)C2)CC1 ZINC000914294049 685502731 /nfs/dbraw/zinc/50/27/31/685502731.db2.gz ULZOQDCAIAYFJF-HNNXBMFYSA-N 1 0 353.513 2.113 20 30 FEEDRO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C(C)(C)C1 ZINC000940840293 682084405 /nfs/dbraw/zinc/08/44/05/682084405.db2.gz UOAHSGNSCAJLRC-MCIONIFRSA-N 1 0 364.408 2.126 20 30 FEEDRO C=C(Br)C[NH2+]C1CC2(CC(NC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)C1 ZINC000965230072 682187876 /nfs/dbraw/zinc/18/78/76/682187876.db2.gz MOTJYPIUXFEIBR-CEHQIQABSA-N 1 0 369.303 2.480 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CCC2CCOCC2)C1 ZINC000969692492 682272894 /nfs/dbraw/zinc/27/28/94/682272894.db2.gz NZYUFFPMYUPLBD-LZQZEXGQSA-N 1 0 350.503 2.221 20 30 FEEDRO C[N@H+]1C[C@]2(C)CN(S(=O)(=O)c3ccc(C(C)(C)C#N)cc3)C[C@]2(C)C1 ZINC000918369213 685538863 /nfs/dbraw/zinc/53/88/63/685538863.db2.gz QWBUXLUAFZJECC-KDURUIRLSA-N 1 0 361.511 2.450 20 30 FEEDRO C[C@@H]1CCC[N@H+](CC(=O)NCC#N)[C@@H]1CCCNC(=O)OC(C)(C)C ZINC000852597636 682305822 /nfs/dbraw/zinc/30/58/22/682305822.db2.gz HADNUTUPRAALIP-HUUCEWRRSA-N 1 0 352.479 2.032 20 30 FEEDRO C#CCC[N@@H+](CCOC)C[C@H](O)COc1ccc(Br)cc1 ZINC000852752858 682335890 /nfs/dbraw/zinc/33/58/90/682335890.db2.gz OLUSPIANIYJGFC-HNNXBMFYSA-N 1 0 356.260 2.161 20 30 FEEDRO COc1ccc(Br)c(CNC(=O)C#CC2CC[NH2+]CC2)c1 ZINC000852817536 682346449 /nfs/dbraw/zinc/34/64/49/682346449.db2.gz CWENOQUOFZXWJX-UHFFFAOYSA-N 1 0 351.244 2.077 20 30 FEEDRO O=C(C#CC1CC[NH2+]CC1)N1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC000852856750 682350689 /nfs/dbraw/zinc/35/06/89/682350689.db2.gz DNFDBNJBKLNNMK-UHFFFAOYSA-N 1 0 359.901 2.377 20 30 FEEDRO O=C(C#CC1CC[NH2+]CC1)N1CCC[C@@H]1c1nccc(C(F)(F)F)n1 ZINC000852905252 682355936 /nfs/dbraw/zinc/35/59/36/682355936.db2.gz RASKTRKUBJWMSO-CYBMUJFWSA-N 1 0 352.360 2.162 20 30 FEEDRO C=C(Cl)C(C)(C)C(=O)N1C[C@H]2CCN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]21 ZINC000972339380 682407552 /nfs/dbraw/zinc/40/75/52/682407552.db2.gz DOIYYGQBYCRNGE-QLFBSQMISA-N 1 0 355.910 2.165 20 30 FEEDRO C=CCCS(=O)(=O)N1CC[C@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1 ZINC000856549058 682792617 /nfs/dbraw/zinc/79/26/17/682792617.db2.gz KBQKMAWVENVDGI-SFHVURJKSA-N 1 0 367.515 2.281 20 30 FEEDRO CC(C)(C#N)C[C@@H](O)C[NH2+]C[C@@H](O)c1cc(Cl)c2c(c1)OCCO2 ZINC000857242794 682868446 /nfs/dbraw/zinc/86/84/46/682868446.db2.gz NEHUKCHMQAGAPA-TZMCWYRMSA-N 1 0 354.834 2.035 20 30 FEEDRO C=C(C)CN(Cc1ccc(CO)o1)C(=S)NCC1CC[NH+](C)CC1 ZINC000795132187 683021505 /nfs/dbraw/zinc/02/15/05/683021505.db2.gz RERBJNYOJYMDTO-UHFFFAOYSA-N 1 0 351.516 2.366 20 30 FEEDRO N#Cc1ccc(NC(=O)NCCN2CCC([NH3+])CC2)cc1C(F)(F)F ZINC000926050216 683068891 /nfs/dbraw/zinc/06/88/91/683068891.db2.gz WYZNROHHEAAWLW-UHFFFAOYSA-N 1 0 355.364 2.122 20 30 FEEDRO C=CCS(=O)(=O)CC[NH2+][C@H]1CCCc2ncc(Br)cc21 ZINC000926127466 683079889 /nfs/dbraw/zinc/07/98/89/683079889.db2.gz RJVMELDPZNXFAO-ZDUSSCGKSA-N 1 0 359.289 2.412 20 30 FEEDRO C=CCCOCCCCC(=O)N[C@@H]1C[C@]2(C[N@@H+](C)[C@@H]2C(C)C)C[C@H]1O ZINC000926167586 683087164 /nfs/dbraw/zinc/08/71/64/683087164.db2.gz TXEPEFFSNSTEDU-HNBVOPMISA-N 1 0 352.519 2.345 20 30 FEEDRO C#CCN(C(=O)NCC[C@@H]1CC[C@@H](C(F)(F)F)O1)C1CC[NH+](C)CC1 ZINC000926295084 683105259 /nfs/dbraw/zinc/10/52/59/683105259.db2.gz YRJUHSCYWUXBMH-GJZGRUSLSA-N 1 0 361.408 2.225 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)OCC(=O)Nc2ccc(Cl)c(F)c2)CC1 ZINC000859556521 683128275 /nfs/dbraw/zinc/12/82/75/683128275.db2.gz MSIZAQSVYIHASL-UHFFFAOYSA-N 1 0 352.793 2.306 20 30 FEEDRO CSc1ccc(C[NH2+][C@H](C)C2CCN(S(C)(=O)=O)CC2)cc1C#N ZINC000926869630 683182556 /nfs/dbraw/zinc/18/25/56/683182556.db2.gz VVLYSVGNYOTCOG-CYBMUJFWSA-N 1 0 367.540 2.430 20 30 FEEDRO CSc1ccc(C[NH2+][C@@H](C)C2CCN(S(C)(=O)=O)CC2)cc1C#N ZINC000926869631 683182601 /nfs/dbraw/zinc/18/26/01/683182601.db2.gz VVLYSVGNYOTCOG-ZDUSSCGKSA-N 1 0 367.540 2.430 20 30 FEEDRO CCC1([NH+]2CCC2)CCN(S(=O)(=O)Cc2csc(C#N)c2)CC1 ZINC000919925661 683307321 /nfs/dbraw/zinc/30/73/21/683307321.db2.gz NCAZLEIFSRLBFI-UHFFFAOYSA-N 1 0 353.513 2.400 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)NCCc2nc(C(F)(F)F)cs2)CC1 ZINC000920938241 683381772 /nfs/dbraw/zinc/38/17/72/683381772.db2.gz WSYDJGHQSCWCGR-UHFFFAOYSA-N 1 0 360.405 2.101 20 30 FEEDRO C[NH+](C)CC[C@@H](NS(=O)(=O)c1cc(F)cc(C#N)c1)c1cccnc1 ZINC000921478246 683480252 /nfs/dbraw/zinc/48/02/52/683480252.db2.gz DROMHWBCMGMFOK-QGZVFWFLSA-N 1 0 362.430 2.064 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)c2c(C(F)(F)F)nc3n2CCCC3)CC1 ZINC000928648628 683480667 /nfs/dbraw/zinc/48/06/67/683480667.db2.gz OJAYEAODNCSRMY-UHFFFAOYSA-N 1 0 354.376 2.066 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)COc2ccccc2Br)CC1 ZINC000928654955 683482034 /nfs/dbraw/zinc/48/20/34/683482034.db2.gz NPLFPWKDFHFIDS-UHFFFAOYSA-N 1 0 351.244 2.042 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 ZINC000928655510 683482250 /nfs/dbraw/zinc/48/22/50/683482250.db2.gz YOCUQBUTRSTYSF-UHFFFAOYSA-N 1 0 355.316 2.441 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)c2nnn(-c3cccc(Cl)c3)c2C)CC1 ZINC000928656718 683482783 /nfs/dbraw/zinc/48/27/83/683482783.db2.gz CEGJXOQSNJQOOL-UHFFFAOYSA-N 1 0 357.845 2.057 20 30 FEEDRO C=CCN1CCC([NH2+][C@H](C)[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)CC1 ZINC000862276553 683563423 /nfs/dbraw/zinc/56/34/23/683563423.db2.gz UCLKZWOFXHNNIJ-WBVHZDCISA-N 1 0 353.507 2.251 20 30 FEEDRO C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cc(C)cc(C)c1OC ZINC000922022155 683638740 /nfs/dbraw/zinc/63/87/40/683638740.db2.gz JCCMYVVUQDVKPZ-UHFFFAOYSA-N 1 0 350.484 2.030 20 30 FEEDRO C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(OC)c(C)c1C ZINC000922023690 683639328 /nfs/dbraw/zinc/63/93/28/683639328.db2.gz LNFSQPYJOCVXIG-UHFFFAOYSA-N 1 0 350.484 2.030 20 30 FEEDRO N#Cc1ccc(Br)c(C[NH2+]CC2(N3CCOCC3)CC2)c1 ZINC000922061244 683648937 /nfs/dbraw/zinc/64/89/37/683648937.db2.gz LXFSRUJRVAFXFE-UHFFFAOYSA-N 1 0 350.260 2.275 20 30 FEEDRO COCc1c(Br)cccc1NC(=O)NCC#CC[NH+](C)C ZINC000930087702 683677949 /nfs/dbraw/zinc/67/79/49/683677949.db2.gz VWTIWXIMKYLFCW-UHFFFAOYSA-N 1 0 354.248 2.282 20 30 FEEDRO C#CC[C@H](CCOC)[NH2+]C[C@@H](O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000863588752 683746913 /nfs/dbraw/zinc/74/69/13/683746913.db2.gz FPFQDAQVJXDAOJ-IAGOWNOFSA-N 1 0 354.491 2.012 20 30 FEEDRO C#CC[C@H](CCOC)[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000863589861 683747178 /nfs/dbraw/zinc/74/71/78/683747178.db2.gz YSRWMYNNWXLPNE-HUUCEWRRSA-N 1 0 374.250 2.346 20 30 FEEDRO Cc1cn2c(nc(C[N@H+](C)C[C@@H](O)c3cccc(C#N)c3)cc2=O)s1 ZINC000930844535 683792103 /nfs/dbraw/zinc/79/21/03/683792103.db2.gz CSOBMAKRGYQKOE-MRXNPFEDSA-N 1 0 354.435 2.102 20 30 FEEDRO C[NH+](C)CC#CCNC(=O)Nc1cccc2c1CN(CC(F)(F)F)C2 ZINC000930954595 683809560 /nfs/dbraw/zinc/80/95/60/683809560.db2.gz WLXUUNGIURKEPL-UHFFFAOYSA-N 1 0 354.376 2.251 20 30 FEEDRO C=CC[C@H]1CC[N@@H+](C[C@H]2CC3(CN(C(=O)OC(C)(C)C)C3)C(=O)O2)C1 ZINC000931162398 683843474 /nfs/dbraw/zinc/84/34/74/683843474.db2.gz ABOHYMREJWHWNW-LSDHHAIUSA-N 1 0 350.459 2.437 20 30 FEEDRO C=C(Cl)C[C@H]1NC(=O)N(CCc2ccc(OCC[NH+](C)C)cc2)C1=O ZINC000865301787 683964171 /nfs/dbraw/zinc/96/41/71/683964171.db2.gz MPSYDYSLLRHZGD-MRXNPFEDSA-N 1 0 365.861 2.233 20 30 FEEDRO O=C(NCC[NH2+]Cc1ccc(OC(F)F)cc1F)C1N=CC=CC1=O ZINC000865463237 683986194 /nfs/dbraw/zinc/98/61/94/683986194.db2.gz YFRWMNHAHAUUMW-CCEZHUSRSA-N 1 0 355.316 2.043 20 30 FEEDRO C[NH+](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C#N)C1CCCCC1 ZINC000866342868 684093560 /nfs/dbraw/zinc/09/35/60/684093560.db2.gz GJFJUQSXEMVOJL-CABCVRRESA-N 1 0 352.479 2.030 20 30 FEEDRO C[NH+]1CCC2(CCCN(S(=O)(=O)c3cc(F)cc(C#N)c3)C2)CC1 ZINC000867225297 684229165 /nfs/dbraw/zinc/22/91/65/684229165.db2.gz MTROOCNWPLPCIU-UHFFFAOYSA-N 1 0 351.447 2.194 20 30 FEEDRO C[C@H]1CN(S(=O)(=O)c2cc(F)cc(C#N)c2)CC[N@@H+](C2CCC2)C1 ZINC000867299407 684240953 /nfs/dbraw/zinc/24/09/53/684240953.db2.gz SZBKFEFRMQIQJR-CYBMUJFWSA-N 1 0 351.447 2.192 20 30 FEEDRO C=CCCSCCNC(=O)N[C@@H]1C[C@]2(C[N@@H+](C)[C@H]2C(C)C)C[C@H]1O ZINC000923228733 684245460 /nfs/dbraw/zinc/24/54/60/684245460.db2.gz WZIRAEVHDLBSBZ-XLMAVXFVSA-N 1 0 355.548 2.075 20 30 FEEDRO C=CC1(CC(=O)NCC2CC[NH+](C)CC2)CN(C(=O)OC(C)(C)C)C1 ZINC000931431429 684282029 /nfs/dbraw/zinc/28/20/29/684282029.db2.gz NAODGVZXJJOBPO-UHFFFAOYSA-N 1 0 351.491 2.258 20 30 FEEDRO N#Cc1cc(F)cc(S(=O)(=O)N2CCC([C@@H]3CCC[NH2+]CC3)CC2)c1 ZINC000923702412 684335520 /nfs/dbraw/zinc/33/55/20/684335520.db2.gz NNMUSPOMBUIJGQ-OAHLLOKOSA-N 1 0 365.474 2.488 20 30 FEEDRO C[NH+](C)Cc1ccc(S(=O)(=O)N[C@H]2Cc3ccc(C#N)cc3C2)cc1 ZINC000867863061 684413030 /nfs/dbraw/zinc/41/30/30/684413030.db2.gz WWMDXVRQHQUDLR-SFHVURJKSA-N 1 0 355.463 2.066 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)NCc2ncc(Br)s2)CC1 ZINC000868283702 684475259 /nfs/dbraw/zinc/47/52/59/684475259.db2.gz FDWXNYVTJGWXNJ-UHFFFAOYSA-N 1 0 359.293 2.355 20 30 FEEDRO C=CC[C@H](CO)C[NH2+][C@H]1[C@@H]2COC[C@H]1C[C@H](NC(=O)OC(C)(C)C)C2 ZINC000925696225 684579245 /nfs/dbraw/zinc/57/92/45/684579245.db2.gz JQXUXZJHNIXJJE-SIRPWMCASA-N 1 0 354.491 2.079 20 30 FEEDRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)c2c(Cl)cc(C#N)cc2Cl)C1 ZINC000869778594 684654692 /nfs/dbraw/zinc/65/46/92/684654692.db2.gz FIFCCWCSRLMTMQ-NSHDSACASA-N 1 0 356.253 2.440 20 30 FEEDRO N#CC1(C[C@@H](O)C[NH2+]Cc2ccc(Br)cn2)CCOCC1 ZINC000872233842 684930081 /nfs/dbraw/zinc/93/00/81/684930081.db2.gz HIIDKTQJJTXWOL-CQSZACIVSA-N 1 0 354.248 2.005 20 30 FEEDRO CS[C@@H]1CN(S(=O)(=O)c2c(C)cccc2C#N)C[C@H]1[NH+]1CCCC1 ZINC000872476873 684959885 /nfs/dbraw/zinc/95/98/85/684959885.db2.gz BMMISXQYJRCEJT-HZPDHXFCSA-N 1 0 365.524 2.067 20 30 FEEDRO CC[C@@H](C#N)Oc1cc(C[NH2+][C@@H]2CCCS(=O)(=O)CC2)ccc1OC ZINC000873049198 685058773 /nfs/dbraw/zinc/05/87/73/685058773.db2.gz CCUNYAODOXBIJU-CVEARBPZSA-N 1 0 366.483 2.433 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N1CCN(C(=O)Cc2ccc(Cl)cc2)CC1 ZINC000876590435 686226025 /nfs/dbraw/zinc/22/60/25/686226025.db2.gz WVNQJZMGVRSSAR-HNNXBMFYSA-N 1 0 370.280 2.023 20 30 FEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H](O)COc1cccc(Cl)c1Cl ZINC000876621100 686229590 /nfs/dbraw/zinc/22/95/90/686229590.db2.gz VLVGFSBWDZMJMN-GXSJLCMTSA-N 1 0 367.660 2.319 20 30 FEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC(NC(=O)NC2CCCCC2)CC1 ZINC000876621189 686230193 /nfs/dbraw/zinc/23/01/93/686230193.db2.gz XTDZSALOXQECPT-OAHLLOKOSA-N 1 0 356.898 2.079 20 30 FEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCN(C(=O)c2ccc(Cl)cc2F)CC1 ZINC000876642441 686235448 /nfs/dbraw/zinc/23/54/48/686235448.db2.gz AVQJTSOIOLGPBR-CQSZACIVSA-N 1 0 374.243 2.233 20 30 FEEDRO N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1CCO[C@@H](c2ccsc2)C1 ZINC000876691360 686244651 /nfs/dbraw/zinc/24/46/51/686244651.db2.gz BZVYPINZDNVZHX-MSOLQXFVSA-N 1 0 353.447 2.407 20 30 FEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)NCCCNc1ccc(C(F)(F)F)cn1 ZINC000876726346 686254308 /nfs/dbraw/zinc/25/43/08/686254308.db2.gz DGASVQGNERWJKK-LLVKDONJSA-N 1 0 350.772 2.489 20 30 FEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@@H](C)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000876749345 686259931 /nfs/dbraw/zinc/25/99/31/686259931.db2.gz JJCDUWUHVYLKHE-XJKSGUPXSA-N 1 0 364.877 2.200 20 30 FEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000876893614 686289197 /nfs/dbraw/zinc/28/91/97/686289197.db2.gz GQIOSKSKDIFUAE-CHWSQXEVSA-N 1 0 360.216 2.171 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[C@H](c2ncc(C(=O)OC)s2)C1 ZINC000876979727 686304284 /nfs/dbraw/zinc/30/42/84/686304284.db2.gz PTNVBIPJATYGME-QWRGUYRKSA-N 1 0 357.863 2.106 20 30 FEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H]1CN(c2ccc(Cl)cc2)CCO1 ZINC000877013122 686309679 /nfs/dbraw/zinc/30/96/79/686309679.db2.gz KHLXZZIOXDICIB-LSDHHAIUSA-N 1 0 358.269 2.131 20 30 FEEDRO C[N@H+](C[C@@H](O)c1cc(Br)no1)C[C@H](O)c1cccc(C#N)c1 ZINC000878802081 686664102 /nfs/dbraw/zinc/66/41/02/686664102.db2.gz AQYDCXLASHBPJN-QWHCGFSZSA-N 1 0 366.215 2.008 20 30 FEEDRO C[N@@H+]1CC[C@@H]2CN(CCC(=O)Nc3sc4c(c3C#N)CCC4)CC[C@@H]21 ZINC000879575782 686860810 /nfs/dbraw/zinc/86/08/10/686860810.db2.gz OWORMDYGUMGIBS-CJNGLKHVSA-N 1 0 358.511 2.463 20 30 FEEDRO C[C@@H]1C[N@H+](C[C@H](O)COc2ccccc2C#N)CC[C@H](C(F)(F)F)O1 ZINC000880065902 686991875 /nfs/dbraw/zinc/99/18/75/686991875.db2.gz YJHZZXQYOCTCAH-IVMMDQJWSA-N 1 0 358.360 2.340 20 30 FEEDRO NC(=O)C1([NH+]2CCCCC2)CCN(CC#Cc2ccccc2Cl)CC1 ZINC000880252339 687022384 /nfs/dbraw/zinc/02/23/84/687022384.db2.gz GGGSPRNNWCZBAB-UHFFFAOYSA-N 1 0 359.901 2.497 20 30 FEEDRO CO[C@H]1COCC[C@H]1[N@H+](C)CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000880430393 687047713 /nfs/dbraw/zinc/04/77/13/687047713.db2.gz MFUHJLKQXHUCIA-CVEARBPZSA-N 1 0 351.834 2.276 20 30 FEEDRO C[N@@H+]1CCC[C@@H](CNC(=O)Nc2ccc(Br)c(C#N)n2)C1 ZINC000883087397 687560674 /nfs/dbraw/zinc/56/06/74/687560674.db2.gz VTYFWRHEJOORQW-JTQLQIEISA-N 1 0 352.236 2.179 20 30 FEEDRO C[C@H]1C[C@@H](NC(=O)Nc2ccc(Br)c(C#N)n2)CC[N@@H+]1C ZINC000883092290 687562302 /nfs/dbraw/zinc/56/23/02/687562302.db2.gz LDQQLSXLZLHLMR-UWVGGRQHSA-N 1 0 352.236 2.320 20 30 FEEDRO C=CCC[C@@H]([NH2+]CCNS(=O)(=O)Cc1ccccc1)[C@H]1CCCO1 ZINC000883175444 687582114 /nfs/dbraw/zinc/58/21/14/687582114.db2.gz HKJDTCCKSDTKMB-QZTJIDSGSA-N 1 0 352.500 2.209 20 30 FEEDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884061973 687781864 /nfs/dbraw/zinc/78/18/64/687781864.db2.gz ARUCBFPEABLPNT-UIORMTCPSA-N 1 0 362.817 2.346 20 30 FEEDRO N#C[C@@H]1C[NH2+]CC12CC(C(=O)NCCCc1nc3c(s1)CCCC3)C2 ZINC000884122783 687794592 /nfs/dbraw/zinc/79/45/92/687794592.db2.gz ZFSMCZJAFIOZCA-SHYRYGCCSA-N 1 0 358.511 2.210 20 30 FEEDRO N#C[C@@H]1C[NH2+]CC12CC(C(=O)Nc1ccc(N3CCSCC3)cc1)C2 ZINC000884223287 687822614 /nfs/dbraw/zinc/82/26/14/687822614.db2.gz MYLKWWHWUJJJLS-XAUUPUKJSA-N 1 0 356.495 2.318 20 30 FEEDRO CC(C)(C)OC(=O)CC1([NH2+]C[C@@H](O)CC2(C#N)CCC2)CCOCC1 ZINC000886249421 688219491 /nfs/dbraw/zinc/21/94/91/688219491.db2.gz JVFFFSULIZHWEW-HNNXBMFYSA-N 1 0 352.475 2.302 20 30 FEEDRO C#CCN(C(=O)c1nc(Br)ccc1F)C1CC[NH+](C)CC1 ZINC000886577836 688278932 /nfs/dbraw/zinc/27/89/32/688278932.db2.gz YZIWVSKOTUGDBL-UHFFFAOYSA-N 1 0 354.223 2.153 20 30 FEEDRO C#CCN(C(=O)CC(C)(C)NC(=O)OC(C)(C)C)C1CC[NH+](C)CC1 ZINC000886580952 688279661 /nfs/dbraw/zinc/27/96/61/688279661.db2.gz DOYUGTHVSTXJAH-UHFFFAOYSA-N 1 0 351.491 2.236 20 30 FEEDRO C#CCC1([NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCOCC1 ZINC000887124543 688369990 /nfs/dbraw/zinc/36/99/90/688369990.db2.gz IVMSXTFESXIALX-UHFFFAOYSA-N 1 0 351.790 2.349 20 30 FEEDRO C[NH+](C)CCOc1ccc(/C=C/C(=O)NCc2nc(C#N)cs2)cc1 ZINC000887975139 688529179 /nfs/dbraw/zinc/52/91/79/688529179.db2.gz MTWLYPQUSUAMFT-VMPITWQZSA-N 1 0 356.451 2.285 20 30 FEEDRO CC[NH+]1CCC(NC(=O)c2cnn(CCC#N)c2C)(C(F)(F)F)CC1 ZINC000891206598 689032144 /nfs/dbraw/zinc/03/21/44/689032144.db2.gz XWLZLMWPULBUFL-UHFFFAOYSA-N 1 0 357.380 2.252 20 30 FEEDRO C[NH+](C)[C@H](CNC(=O)N1CCC2(CC1)CC(=O)C=CO2)c1cccs1 ZINC000891507983 689071513 /nfs/dbraw/zinc/07/15/13/689071513.db2.gz JWCFVFNHPUANBH-OAHLLOKOSA-N 1 0 363.483 2.398 20 30 FEEDRO CC(C)[C@@H](CNC(=O)N(C)Cc1cc(C#N)cs1)[NH+]1CCN(C)CC1 ZINC000891752421 689101391 /nfs/dbraw/zinc/10/13/91/689101391.db2.gz IRGKTBQTXCHSHO-QGZVFWFLSA-N 1 0 363.531 2.033 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCOC[C@@H]2C[C@@H]2CCCO2)CC1 ZINC000892850301 689253132 /nfs/dbraw/zinc/25/31/32/689253132.db2.gz GKMGNKFKHDGXAP-ROUUACIJSA-N 1 0 351.491 2.006 20 30 FEEDRO C[C@H]([NH2+]C1CCC(Oc2ccc(C#N)cn2)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000893219999 689315146 /nfs/dbraw/zinc/31/51/46/689315146.db2.gz HTZSAIPEYRGION-OBTMHIKCSA-N 1 0 363.483 2.056 20 30 FEEDRO N#Cc1ccc(CN2CC[C@H]([NH2+]Cc3cn4ccnc4s3)C2=O)cc1 ZINC000894006754 689448066 /nfs/dbraw/zinc/44/80/66/689448066.db2.gz XMBSXHVHNAXMOW-INIZCTEOSA-N 1 0 351.435 2.158 20 30 FEEDRO C[C@H]1[C@H](NC(=O)NCc2nc(C#N)cs2)CC[N@@H+]1Cc1ccccc1 ZINC000894884961 689613868 /nfs/dbraw/zinc/61/38/68/689613868.db2.gz MSMNOAVGUAZKAU-XJKSGUPXSA-N 1 0 355.467 2.477 20 30 FEEDRO C=CCn1cc(C[NH2+][C@@H]2CC[C@@H](C(=O)OCC)[C@H](C(F)(F)F)C2)nn1 ZINC000895005776 689638865 /nfs/dbraw/zinc/63/88/65/689638865.db2.gz HSJDOFNEEDWEJX-MRVWCRGKSA-N 1 0 360.380 2.464 20 30 FEEDRO C=CCCSCC[NH2+]Cc1cn(C)nc1I ZINC000895243326 689683259 /nfs/dbraw/zinc/68/32/59/689683259.db2.gz LOSPIQMLNFRHFU-UHFFFAOYSA-N 1 0 351.257 2.424 20 30 FEEDRO C#CCCCCCC[NH2+][C@@H]1CCS(=O)(=O)C2(CC(C(=O)OC)C2)C1 ZINC000898486409 690190952 /nfs/dbraw/zinc/19/09/52/690190952.db2.gz CWFFKIKFPKFNSW-UPTPFMHGSA-N 1 0 355.500 2.059 20 30 FEEDRO C#CCN(C(=S)NCCCN(C)c1ccccc1)C1CC[NH+](C)CC1 ZINC000899613853 690390093 /nfs/dbraw/zinc/39/00/93/690390093.db2.gz QZCCGURSLJAOPX-UHFFFAOYSA-N 1 0 358.555 2.417 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)NCC(=O)Nc1ccc(Br)cc1C ZINC000899962461 690451708 /nfs/dbraw/zinc/45/17/08/690451708.db2.gz RDAODYYBYHATJH-UHFFFAOYSA-N 1 0 368.275 2.320 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)N1CCC(NC(=O)NC2CCCCC2)CC1 ZINC000900344429 690504702 /nfs/dbraw/zinc/50/47/02/690504702.db2.gz KOCDWMZCGGQUTR-UHFFFAOYSA-N 1 0 350.507 2.117 20 30 FEEDRO C[NH+](C)CCCNC(=S)NN=C1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000901189572 690623067 /nfs/dbraw/zinc/62/30/67/690623067.db2.gz TXAJHZLABHRHLK-CYBMUJFWSA-N 1 0 371.551 2.083 20 30 FEEDRO C#CCN(Cn1nc(N(C)C)n(C(C)C)c1=S)C1CC[NH+](C)CC1 ZINC000902538442 690776106 /nfs/dbraw/zinc/77/61/06/690776106.db2.gz JCFUIKJQEHKGMV-UHFFFAOYSA-N 1 0 350.536 2.048 20 30 FEEDRO CC[C@H]([NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1)c1cccc(C#N)c1 ZINC000902886651 690817301 /nfs/dbraw/zinc/81/73/01/690817301.db2.gz QSJBGLUFXXIONG-CVEARBPZSA-N 1 0 364.492 2.495 20 30 FEEDRO N#Cc1sccc1S(=O)(=O)N[C@H]1C[NH2+]CC[C@H]1c1cccc(F)c1 ZINC000903507590 690904003 /nfs/dbraw/zinc/90/40/03/690904003.db2.gz FZXMBWJCQXPBRF-KBPBESRZSA-N 1 0 365.455 2.183 20 30 FEEDRO Cc1cc(C#N)cc(C)c1CS(=O)(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000903513505 690906070 /nfs/dbraw/zinc/90/60/70/690906070.db2.gz BMQWHNYEDSWMOK-IEBWSBKVSA-N 1 0 361.511 2.469 20 30 FEEDRO N#Cc1sccc1S(=O)(=O)N1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000903532706 690914153 /nfs/dbraw/zinc/91/41/53/690914153.db2.gz KRSCWVPDSGIKLD-UHFFFAOYSA-N 1 0 361.492 2.301 20 30 FEEDRO COCC[C@@H]1C[NH2+]CCN1C(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000904333279 691020473 /nfs/dbraw/zinc/02/04/73/691020473.db2.gz WQADLBXINSWLKP-GFCCVEGCSA-N 1 0 354.357 2.002 20 30 FEEDRO CC[C@](O)(C[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)C(F)(F)F ZINC000905202434 691079542 /nfs/dbraw/zinc/07/95/42/691079542.db2.gz LQLMKVALERDGQW-ZBFHGGJFSA-N 1 0 355.360 2.347 20 30 FEEDRO CN(CCC#N)C[C@@H](O)C[NH2+]CCc1cc(Cl)cc(Br)c1 ZINC000905419612 691116669 /nfs/dbraw/zinc/11/66/69/691116669.db2.gz PLFNCKFOVZHPOH-HNNXBMFYSA-N 1 0 374.710 2.441 20 30 FEEDRO COc1cc(CNC(=O)c2ccsc2C#N)ccc1OCC[NH+](C)C ZINC000906489664 691276366 /nfs/dbraw/zinc/27/63/66/691276366.db2.gz DIGFZIULRJYDTH-UHFFFAOYSA-N 1 0 359.451 2.499 20 30 FEEDRO CCO[C@H](CNS(=O)(=O)c1c(C#N)sc2ccccc21)C[NH+](C)C ZINC000907429607 691479790 /nfs/dbraw/zinc/47/97/90/691479790.db2.gz VZRZTKNWPAGGIE-GFCCVEGCSA-N 1 0 367.496 2.018 20 30 FEEDRO N#C[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000907879332 691575941 /nfs/dbraw/zinc/57/59/41/691575941.db2.gz ZCWYAUBTZJPULP-KRWDZBQOSA-N 1 0 358.873 2.145 20 30 FEEDRO COC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CC[NH+](CC(C)C)CC1 ZINC001164657236 719337335 /nfs/dbraw/zinc/33/73/35/719337335.db2.gz DYJHRNBYBIKOAW-OAHLLOKOSA-N 1 0 367.453 2.188 20 30 FEEDRO C[N@@H+]1CCO[C@@H]2CN(c3cnc(Cl)nc3Oc3ccccc3C#N)C[C@H]21 ZINC001164667746 719480600 /nfs/dbraw/zinc/48/06/00/719480600.db2.gz MPYMHGMVZPTJHE-GDBMZVCRSA-N 1 0 371.828 2.313 20 30 FEEDRO CC(C)N(C)Cc1nn(-c2nc3c(cc2C#N)CCC3)c2c1CC[NH2+]C2 ZINC001164679790 719638162 /nfs/dbraw/zinc/63/81/62/719638162.db2.gz NCFMJRIXCHMPQO-UHFFFAOYSA-N 1 0 350.470 2.114 20 30 FEEDRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nnc(Cl)cc1C#N)C2 ZINC001164815701 720089656 /nfs/dbraw/zinc/08/96/56/720089656.db2.gz ZELMUHMCGNTLLB-QAPCUYQASA-N 1 0 361.877 2.186 20 30 FEEDRO Cc1cc(C#N)cc(N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)n1 ZINC001164816024 720242666 /nfs/dbraw/zinc/24/26/66/720242666.db2.gz FLPQHPXYLFBMMR-UHFFFAOYSA-N 1 0 366.469 2.069 20 30 FEEDRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2ncc(F)cc2C#N)CC1 ZINC001164821596 720301903 /nfs/dbraw/zinc/30/19/03/720301903.db2.gz KYGCHWGEUYGPHA-ZWKOTPCHSA-N 1 0 371.460 2.004 20 30 FEEDRO Cc1cc(C#N)cc(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164829786 720348112 /nfs/dbraw/zinc/34/81/12/720348112.db2.gz UKBQFKJHSMJCSW-OALUTQOASA-N 1 0 367.497 2.173 20 30 FEEDRO Cc1nc(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)ccc1CC#N ZINC001164736958 720587144 /nfs/dbraw/zinc/58/71/44/720587144.db2.gz WRKKWQWWDFTTPP-UHFFFAOYSA-N 1 0 350.470 2.311 20 30 FEEDRO N#Cc1ccc2ccnc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)c2c1 ZINC001164741599 720675501 /nfs/dbraw/zinc/67/55/01/720675501.db2.gz UHRUFVVHCAJLGU-ZWKOTPCHSA-N 1 0 372.432 2.238 20 30 FEEDRO N#Cc1cnc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)c(Cl)c1 ZINC001164870019 721052180 /nfs/dbraw/zinc/05/21/80/721052180.db2.gz VHTDWUQXGDLERV-DLBZAZTESA-N 1 0 369.856 2.481 20 30 FEEDRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ncc(C#N)cc4Cl)C[C@@H]3C2)cn1 ZINC001164765795 721081155 /nfs/dbraw/zinc/08/11/55/721081155.db2.gz JUTQTOJCEBBVSC-HOTGVXAUSA-N 1 0 356.861 2.298 20 30 FEEDRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4nccc(Cl)c4C#N)C[C@H]3C2)cn1 ZINC001164762833 721095715 /nfs/dbraw/zinc/09/57/15/721095715.db2.gz FIEFEWZCECTACI-LSDHHAIUSA-N 1 0 356.861 2.298 20 30 FEEDRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nccc(Cl)c4C#N)C[C@H]3C2)cn1 ZINC001164762826 721096381 /nfs/dbraw/zinc/09/63/81/721096381.db2.gz FIEFEWZCECTACI-HUUCEWRRSA-N 1 0 356.861 2.298 20 30 FEEDRO Cc1cc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)nc(C#N)n1 ZINC001164903347 721539315 /nfs/dbraw/zinc/53/93/15/721539315.db2.gz CDFBZGAKXSZZTQ-RDJZCZTQSA-N 1 0 353.401 2.138 20 30 FEEDRO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2C(F)(F)c1ccnc(Cl)c1C#N ZINC001164928563 721851291 /nfs/dbraw/zinc/85/12/91/721851291.db2.gz OLOPKZZCCDPZAA-HUUCEWRRSA-N 1 0 369.847 2.366 20 30 FEEDRO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2C(F)(F)c1cnc(Cl)c(C#N)c1 ZINC001164921905 721864536 /nfs/dbraw/zinc/86/45/36/721864536.db2.gz DNOYTQRMUQNXCC-HUUCEWRRSA-N 1 0 369.847 2.366 20 30 FEEDRO N#Cc1c(F)ccnc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164979212 722126738 /nfs/dbraw/zinc/12/67/38/722126738.db2.gz POVJIDWZPQWWOK-LPHOPBHVSA-N 1 0 367.428 2.215 20 30 FEEDRO C[NH+](C)C[C@H]1CCN(C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)C1 ZINC000484689880 851051523 /nfs/dbraw/zinc/05/15/23/851051523.db2.gz NEDYPCGYFQLQDS-CYBMUJFWSA-N 1 0 356.405 2.298 20 30 FEEDRO CC[NH+](CC)CCCNC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000076222477 542246281 /nfs/dbraw/zinc/24/62/81/542246281.db2.gz NSQLNQWRAGRWPC-UHFFFAOYSA-N 1 0 370.375 2.364 20 30 FEEDRO C=CCN1C(=O)c2ccc(C(=O)NCCC[N@H+]3CCCC[C@@H]3C)cc2C1=O ZINC000008351452 539484991 /nfs/dbraw/zinc/48/49/91/539484991.db2.gz OCFNJXPDBQDNJO-HNNXBMFYSA-N 1 0 369.465 2.463 20 30 FEEDRO N#Cc1cccc(NC(=O)CC[NH+]2CCN(c3ccccc3O)CC2)c1 ZINC000026218628 539780624 /nfs/dbraw/zinc/78/06/24/539780624.db2.gz XGINKTRNOYLQKC-UHFFFAOYSA-N 1 0 350.422 2.415 20 30 FEEDRO COc1cccc(N2CC[NH+](C[C@H](O)COc3ccc(C#N)cc3)CC2)c1 ZINC000030964129 539894943 /nfs/dbraw/zinc/89/49/43/539894943.db2.gz FVMSDIKVPMKBGC-IBGZPJMESA-N 1 0 367.449 2.129 20 30 FEEDRO CC(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000041277666 540016139 /nfs/dbraw/zinc/01/61/39/540016139.db2.gz MPQHXWWGLGEGBP-UHFFFAOYSA-N 1 0 362.861 2.387 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)Nc1cccc(C#N)c1)C(C)C ZINC000041856053 540036764 /nfs/dbraw/zinc/03/67/64/540036764.db2.gz FGLZXYUQZAGQLW-SFHVURJKSA-N 1 0 354.454 2.312 20 30 FEEDRO C#CCOc1ccc(Br)cc1C[NH2+]CCC(=O)NC(C)C ZINC000042225195 540055525 /nfs/dbraw/zinc/05/55/25/540055525.db2.gz LSQOIGPEFXMEPE-UHFFFAOYSA-N 1 0 353.260 2.465 20 30 FEEDRO CC(C)[NH+]1CCC(NC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)CC1 ZINC000043179598 540092973 /nfs/dbraw/zinc/09/29/73/540092973.db2.gz WLSCNNIXSRZFBB-UHFFFAOYSA-N 1 0 369.513 2.258 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc2c(c1)OCO2 ZINC000047010745 540284572 /nfs/dbraw/zinc/28/45/72/540284572.db2.gz DUHILTZMWGADDV-UHFFFAOYSA-N 1 0 351.406 2.491 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)Nc2ccc(NC(=O)[C@@H]3CCCO3)cc2)CC1 ZINC000050028977 540397313 /nfs/dbraw/zinc/39/73/13/540397313.db2.gz SYKNJOWGOAHPLO-SFHVURJKSA-N 1 0 355.438 2.088 20 30 FEEDRO Cc1nnc(NCc2ccc(CN3CC[NH+](C)CC3)cc2)c(C#N)c1C ZINC000052211652 540459149 /nfs/dbraw/zinc/45/91/49/540459149.db2.gz WZBZGBUQDCOBBK-UHFFFAOYSA-N 1 0 350.470 2.325 20 30 FEEDRO C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)[N@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000535545051 540482176 /nfs/dbraw/zinc/48/21/76/540482176.db2.gz CAASBYZJQGKMRY-NYTXWWLZSA-N 1 0 360.506 2.057 20 30 FEEDRO C[NH+]1CCN(Cc2ccc(CNC(=O)c3cccc(CC#N)c3)cc2)CC1 ZINC000053237941 540519758 /nfs/dbraw/zinc/51/97/58/540519758.db2.gz LSLUXLLLRXXLDV-UHFFFAOYSA-N 1 0 362.477 2.430 20 30 FEEDRO C=C(C)CN(CC)C(=O)C[NH+]1CCC(C(=O)Nc2cccc(C)n2)CC1 ZINC000053163554 540514792 /nfs/dbraw/zinc/51/47/92/540514792.db2.gz YCTDENXYPWUBPW-UHFFFAOYSA-N 1 0 358.486 2.465 20 30 FEEDRO CC[NH+]1CCC(N(C(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)C2CC2)CC1 ZINC000057371308 540791984 /nfs/dbraw/zinc/79/19/84/540791984.db2.gz GFLVCDKDGYHIHT-UHFFFAOYSA-N 1 0 370.497 2.271 20 30 FEEDRO C=C(C)COc1cc(C[NH2+][C@@H]2CCCN(S(C)(=O)=O)C2)ccc1OC ZINC000057969576 540825449 /nfs/dbraw/zinc/82/54/49/540825449.db2.gz FZXRFUSMAIQROB-MRXNPFEDSA-N 1 0 368.499 2.164 20 30 FEEDRO C=CCOc1ccc(/C=C/C(=O)NCCCN2CC[NH+](C)CC2)cc1OC ZINC000061524481 541131677 /nfs/dbraw/zinc/13/16/77/541131677.db2.gz CGEZYOQDKWCSJR-VQHVLOKHSA-N 1 0 373.497 2.027 20 30 FEEDRO COc1cccc(OC)c1OC[C@@H](O)C[N@H+](C)Cc1cccc(C#N)c1 ZINC000063495076 541170485 /nfs/dbraw/zinc/17/04/85/541170485.db2.gz LRLFDQFUWCQDTF-KRWDZBQOSA-N 1 0 356.422 2.447 20 30 FEEDRO CC[NH+](CC)[C@H](CNC(=O)C(=O)Nc1ccc(C#N)cc1)c1ccco1 ZINC000065602447 541248080 /nfs/dbraw/zinc/24/80/80/541248080.db2.gz OBLGHNYMQRHCIS-MRXNPFEDSA-N 1 0 354.410 2.289 20 30 FEEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)CSc1nncs1 ZINC000065930218 541272544 /nfs/dbraw/zinc/27/25/44/541272544.db2.gz RTCNJSLFQZZHBF-UHFFFAOYSA-N 1 0 361.496 2.092 20 30 FEEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)C(=O)Nc1ccccc1 ZINC000065930776 541273060 /nfs/dbraw/zinc/27/30/60/541273060.db2.gz ZIWTXLKSAXBUEQ-UHFFFAOYSA-N 1 0 350.422 2.087 20 30 FEEDRO C[NH+](C)CCCNC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000066981284 541403263 /nfs/dbraw/zinc/40/32/63/541403263.db2.gz ISSVRIFUALUECX-UHFFFAOYSA-N 1 0 366.421 2.357 20 30 FEEDRO C[C@H](CC[NH+](C)C)NC(=O)C(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000066998634 541405491 /nfs/dbraw/zinc/40/54/91/541405491.db2.gz BMXMWGRPWAAMKK-KGLIPLIRSA-N 1 0 362.499 2.476 20 30 FEEDRO C=CCOc1cccc(NC(=O)C(=O)NC[C@@H](C(C)C)[NH+]2CCCC2)c1 ZINC000067375398 541451990 /nfs/dbraw/zinc/45/19/90/541451990.db2.gz KJRWSMINKIFYRE-SFHVURJKSA-N 1 0 359.470 2.427 20 30 FEEDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000067398049 541457321 /nfs/dbraw/zinc/45/73/21/541457321.db2.gz VRBBBTPSUOOSLS-CHWSQXEVSA-N 1 0 362.861 2.387 20 30 FEEDRO CCCC[N@H+](CCC(=O)Nc1ccccc1C#N)[C@@H]1CCS(=O)(=O)C1 ZINC000067399958 541457392 /nfs/dbraw/zinc/45/73/92/541457392.db2.gz DMDMNCILZPUDRE-MRXNPFEDSA-N 1 0 363.483 2.176 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1cccc(CNc2ccncn2)c1 ZINC000542762222 541462784 /nfs/dbraw/zinc/46/27/84/541462784.db2.gz FSDRLJYNTUVKOJ-UHFFFAOYSA-N 1 0 366.469 2.396 20 30 FEEDRO C=CCNC(=O)C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCCC2)cc1 ZINC000067489289 541470813 /nfs/dbraw/zinc/47/08/13/541470813.db2.gz NTXFKBKPRXHKCV-UHFFFAOYSA-N 1 0 372.469 2.132 20 30 FEEDRO CC[N@@H+]1CC[C@@H](CNC(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)C1 ZINC000542960837 541509563 /nfs/dbraw/zinc/50/95/63/541509563.db2.gz FEQVSAUMBYVOON-AWEZNQCLSA-N 1 0 356.405 2.346 20 30 FEEDRO C[C@@H](Oc1ccccc1C#N)C(=O)N1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000068095557 541547719 /nfs/dbraw/zinc/54/77/19/541547719.db2.gz BLFJYDWXNVSKEU-JKSUJKDBSA-N 1 0 357.454 2.037 20 30 FEEDRO Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000068223418 541565881 /nfs/dbraw/zinc/56/58/81/541565881.db2.gz PFVSODCWNGJKHO-KRWDZBQOSA-N 1 0 370.501 2.243 20 30 FEEDRO C[C@H](OC[C@@H]1CCCO1)C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000068310014 541574967 /nfs/dbraw/zinc/57/49/67/541574967.db2.gz QXROYUIHPHGCTN-LPHOPBHVSA-N 1 0 359.470 2.033 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)Oc2ccc(/C=C/C(=O)OC)cc2OC)CC1 ZINC000068919842 541641416 /nfs/dbraw/zinc/64/14/16/541641416.db2.gz YBOYQSKHUHULPA-SOFGYWHQSA-N 1 0 357.406 2.132 20 30 FEEDRO N#CCOc1ccc(/C=C/C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000069745164 541709860 /nfs/dbraw/zinc/70/98/60/541709860.db2.gz ANXBDCDTYWTFJV-MEQKGCOVSA-N 1 0 369.465 2.173 20 30 FEEDRO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H](CN2CCOCC2)C1 ZINC000070011400 541730297 /nfs/dbraw/zinc/73/02/97/541730297.db2.gz NPPCDYAULFLIFR-TZIWHRDSSA-N 1 0 374.525 2.199 20 30 FEEDRO N#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@@]3(CNC(=O)C3)C2)cc1Cl ZINC000072829390 541875161 /nfs/dbraw/zinc/87/51/61/541875161.db2.gz LJFVCQOSTDRMNX-GOSISDBHSA-N 1 0 360.845 2.142 20 30 FEEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(-c2cncnc2)cc1 ZINC000073411563 541950591 /nfs/dbraw/zinc/95/05/91/541950591.db2.gz UNZAIWIXNGAFAR-KGLIPLIRSA-N 1 0 353.426 2.195 20 30 FEEDRO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)NCCOc1ccc(C#N)cc1 ZINC000073793662 542000482 /nfs/dbraw/zinc/00/04/82/542000482.db2.gz RXUXQTOIEYJKEH-LJQANCHMSA-N 1 0 366.465 2.409 20 30 FEEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+](C)CC(=O)N(C)C)sc2C1 ZINC000074022441 542026859 /nfs/dbraw/zinc/02/68/59/542026859.db2.gz JVWGJAAFORSEFO-GFCCVEGCSA-N 1 0 362.499 2.093 20 30 FEEDRO CC[C@@H](CO)[NH+]1CCN([C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)CC1 ZINC000075962772 542218778 /nfs/dbraw/zinc/21/87/78/542218778.db2.gz UUBNKEFPJRKNQO-OALUTQOASA-N 1 0 372.513 2.019 20 30 FEEDRO N#Cc1cc(NC(=O)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)ccc1F ZINC000077538128 542394142 /nfs/dbraw/zinc/39/41/42/542394142.db2.gz ASILWSWLIXOICF-KRWDZBQOSA-N 1 0 366.396 2.027 20 30 FEEDRO C[NH+]1CCC(CCNC(=O)C(=O)Nc2ccccc2SCCC#N)CC1 ZINC000077821808 542424251 /nfs/dbraw/zinc/42/42/51/542424251.db2.gz POZLFYLNQCVFMH-UHFFFAOYSA-N 1 0 374.510 2.479 20 30 FEEDRO C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)Nc1cccc(OCCCC#N)c1 ZINC000080172450 542571236 /nfs/dbraw/zinc/57/12/36/542571236.db2.gz XSKOALFLWLKNOC-MRXNPFEDSA-N 1 0 372.469 2.298 20 30 FEEDRO C=CC[NH+]1CCC(Nc2ccc(S(N)(=O)=O)c(C(F)(F)F)c2)CC1 ZINC000080601202 542596255 /nfs/dbraw/zinc/59/62/55/542596255.db2.gz PASXFIWFOOALGT-UHFFFAOYSA-N 1 0 363.405 2.415 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cccc(N3CCCNC3=O)c2)CC1 ZINC000081412244 542655480 /nfs/dbraw/zinc/65/54/80/542655480.db2.gz TUOOCSDWRZQHRV-UHFFFAOYSA-N 1 0 356.470 2.377 20 30 FEEDRO N#Cc1cccc([C@@H]2C[C@H]2C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000081721396 542673475 /nfs/dbraw/zinc/67/34/75/542673475.db2.gz XCLOVBJKZKYRCA-YZGWKJHDSA-N 1 0 353.466 2.233 20 30 FEEDRO C[N@@H+](Cc1ccc(-c2ccccc2C#N)cc1)C[C@@H](O)CN1CCOCC1 ZINC000083245809 542696626 /nfs/dbraw/zinc/69/66/26/542696626.db2.gz HUSQJBOLKLRRCQ-OAQYLSRUSA-N 1 0 365.477 2.350 20 30 FEEDRO N#Cc1ccc(Cl)c(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)c1 ZINC000088775618 542756561 /nfs/dbraw/zinc/75/65/61/542756561.db2.gz HRLVMPLZNZSFIC-CQSZACIVSA-N 1 0 360.845 2.237 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(-c3cnco3)cc2)c1C#N ZINC000089663038 542768348 /nfs/dbraw/zinc/76/83/48/542768348.db2.gz IIDMYVFUYPTDES-UHFFFAOYSA-N 1 0 350.382 2.341 20 30 FEEDRO C#CCOc1ccc([C@@H](C)[NH2+]C2CCN(S(=O)(=O)C3CC3)CC2)cc1 ZINC000090232080 542784000 /nfs/dbraw/zinc/78/40/00/542784000.db2.gz DGRUMZSUWPOLDY-OAHLLOKOSA-N 1 0 362.495 2.306 20 30 FEEDRO C#CCCCC[NH2+][C@H](C)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000090397478 542784308 /nfs/dbraw/zinc/78/43/08/542784308.db2.gz MERLWEDXSOTDOD-MRXNPFEDSA-N 1 0 350.484 2.162 20 30 FEEDRO CCc1ccccc1NC(=O)[C@H](C)[N@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000089943419 542776184 /nfs/dbraw/zinc/77/61/84/542776184.db2.gz GZRXDVKHXMIEHY-ZDUSSCGKSA-N 1 0 354.458 2.318 20 30 FEEDRO N#Cc1ccc(CCC(=O)NC[C@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)cc1 ZINC000089959871 542776962 /nfs/dbraw/zinc/77/69/62/542776962.db2.gz KQDDSZXZXADTQS-NHCUHLMSSA-N 1 0 363.461 2.242 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)Nc1cccnc1Cl)C(C)C ZINC000091194440 542797674 /nfs/dbraw/zinc/79/76/74/542797674.db2.gz UKGNJVNHOVDEQM-OAHLLOKOSA-N 1 0 364.877 2.488 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N[C@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000091771164 542825136 /nfs/dbraw/zinc/82/51/36/542825136.db2.gz NVNNTUVKNKMKTK-PKOBYXMFSA-N 1 0 373.884 2.073 20 30 FEEDRO C=CCOc1ccc(C[NH+]2CCC(C(=O)NCC(=O)OCC)CC2)cc1 ZINC000092064503 542842293 /nfs/dbraw/zinc/84/22/93/542842293.db2.gz QKMDQLCQYVHLAW-UHFFFAOYSA-N 1 0 360.454 2.143 20 30 FEEDRO COc1cc(N[C@@H]2CCC[N@H+](CCC(=O)N(C)CCC#N)C2)cc(OC)c1 ZINC000092806000 542887783 /nfs/dbraw/zinc/88/77/83/542887783.db2.gz KKHSDXXBXAENAA-MRXNPFEDSA-N 1 0 374.485 2.342 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)cc1 ZINC000103163906 543095904 /nfs/dbraw/zinc/09/59/04/543095904.db2.gz UVYIBJAHZFQTTN-IBGZPJMESA-N 1 0 369.490 2.401 20 30 FEEDRO COC(=O)[C@@H]1CCC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000103481570 543111303 /nfs/dbraw/zinc/11/13/03/543111303.db2.gz HDVINMDHCCITQE-GFCCVEGCSA-N 1 0 361.467 2.322 20 30 FEEDRO C=CCN(CC(=O)NC1CC[NH+](C2CC2)CC1)Cc1cccc([N+](=O)[O-])c1 ZINC000104679267 543137918 /nfs/dbraw/zinc/13/79/18/543137918.db2.gz AHACISFRBBAWGN-UHFFFAOYSA-N 1 0 372.469 2.326 20 30 FEEDRO N#CC1CCN(C(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)CC1 ZINC000105283799 543169102 /nfs/dbraw/zinc/16/91/02/543169102.db2.gz MNMUCGISOMIRHL-UHFFFAOYSA-N 1 0 356.470 2.088 20 30 FEEDRO CN(C(=O)C[N@H+](C)C[C@H]1CCCN1c1cccnn1)C1(C#N)CCCCC1 ZINC000106089347 543194084 /nfs/dbraw/zinc/19/40/84/543194084.db2.gz MXEXCISQTYJTDS-QGZVFWFLSA-N 1 0 370.501 2.062 20 30 FEEDRO CC1CC[NH+]([C@H](CNC(=O)N2CCO[C@H](C#N)C2)c2ccccc2)CC1 ZINC000106334403 543224282 /nfs/dbraw/zinc/22/42/82/543224282.db2.gz OHLITNYIWHTRMY-RTBURBONSA-N 1 0 356.470 2.394 20 30 FEEDRO CC[NH+](CC)[C@@H](CNC(=O)N1CCO[C@@H](C#N)C1)c1cccc(OC)c1 ZINC000106329733 543223412 /nfs/dbraw/zinc/22/34/12/543223412.db2.gz CCYFWCDDUFAOTJ-ROUUACIJSA-N 1 0 360.458 2.012 20 30 FEEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N2CCO[C@H](C#N)C2)cc1 ZINC000106330792 543223431 /nfs/dbraw/zinc/22/34/31/543223431.db2.gz XCJSWJRUNMTNII-VQIMIIECSA-N 1 0 356.470 2.495 20 30 FEEDRO N#C[C@H]1CN(C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)CCO1 ZINC000106329591 543223656 /nfs/dbraw/zinc/22/36/56/543223656.db2.gz XYNBQPAYBBCAMT-KRWDZBQOSA-N 1 0 362.861 2.238 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N(CCO)Cc2ccccc2OC)CC1 ZINC000106340994 543224876 /nfs/dbraw/zinc/22/48/76/543224876.db2.gz UHDYCZOSODUQNA-UHFFFAOYSA-N 1 0 361.486 2.240 20 30 FEEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000106583251 543240375 /nfs/dbraw/zinc/24/03/75/543240375.db2.gz QZLOEVKXLCTULB-QGZVFWFLSA-N 1 0 357.502 2.116 20 30 FEEDRO COc1ccc(C[NH+]2CCC(CNC(=O)C3(C#N)CCOCC3)CC2)cc1 ZINC000109142271 543315776 /nfs/dbraw/zinc/31/57/76/543315776.db2.gz RWXTUJIATWIKAN-UHFFFAOYSA-N 1 0 371.481 2.344 20 30 FEEDRO C[C@H](Nc1ccc(CC[NH+]2CCSCC2)cc1)C(=O)N(C)CCC#N ZINC000112537948 543450966 /nfs/dbraw/zinc/45/09/66/543450966.db2.gz IDPAMULRNVJAJQ-INIZCTEOSA-N 1 0 360.527 2.450 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2ccccc2)CC1 ZINC000112636568 543455025 /nfs/dbraw/zinc/45/50/25/543455025.db2.gz OEUWDKCKGKRIJO-AZUAARDMSA-N 1 0 355.482 2.363 20 30 FEEDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 ZINC000114598321 543525037 /nfs/dbraw/zinc/52/50/37/543525037.db2.gz VHSHDGAJDJGPGB-WOJBJXKFSA-N 1 0 369.513 2.280 20 30 FEEDRO Cc1cc(C[N@H+](C)CCOc2ccc(S(N)(=O)=O)cc2)ccc1C#N ZINC000552072341 674185791 /nfs/dbraw/zinc/18/57/91/674185791.db2.gz DFJVGNQFSMZXBT-UHFFFAOYSA-N 1 0 359.451 2.025 20 30 FEEDRO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCCN(c2cccnn2)CC1 ZINC000118005618 543642947 /nfs/dbraw/zinc/64/29/47/543642947.db2.gz NSDIPLNEADUJAN-LJQANCHMSA-N 1 0 368.481 2.157 20 30 FEEDRO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCCN(c2cccnn2)CC1 ZINC000118005620 543643089 /nfs/dbraw/zinc/64/30/89/543643089.db2.gz NSDIPLNEADUJAN-IBGZPJMESA-N 1 0 368.481 2.157 20 30 FEEDRO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccccc1SCCC#N ZINC000118096419 543644378 /nfs/dbraw/zinc/64/43/78/543644378.db2.gz HZKDGDJXPYYSOH-AWEZNQCLSA-N 1 0 360.483 2.231 20 30 FEEDRO CC[NH+](CC)CCNC(=O)C(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000118094825 543644688 /nfs/dbraw/zinc/64/46/88/543644688.db2.gz JDALDDHXRGMMEB-AWEZNQCLSA-N 1 0 362.499 2.477 20 30 FEEDRO COC(=O)c1cc(NC(=O)N(CCC#N)CCC[NH+](C)C)c(F)cc1F ZINC000120076576 543675309 /nfs/dbraw/zinc/67/53/09/543675309.db2.gz TYDYWAINTFXQJV-UHFFFAOYSA-N 1 0 368.384 2.451 20 30 FEEDRO C#CCOc1ccc(C(=O)NCC2([NH+]3CCCCC3)CCOCC2)cc1 ZINC000120107302 543675337 /nfs/dbraw/zinc/67/53/37/543675337.db2.gz DENWMPJCTDXCNL-UHFFFAOYSA-N 1 0 356.466 2.464 20 30 FEEDRO COc1ccc(S(=O)(=O)N2CCC[N@H+](CCCCC#N)CC2)cc1 ZINC000122163329 543704548 /nfs/dbraw/zinc/70/45/48/543704548.db2.gz IYMORNSMEHGWEE-UHFFFAOYSA-N 1 0 351.472 2.085 20 30 FEEDRO C[C@H](c1ccccc1)[N@H+](CCC(=O)Nc1ccc(C#N)cc1)CC(N)=O ZINC000123892571 543789671 /nfs/dbraw/zinc/78/96/71/543789671.db2.gz QBIOTHIELIOSNJ-OAHLLOKOSA-N 1 0 350.422 2.435 20 30 FEEDRO N#Cc1ccc2ncc(C[NH2+]CCCS(=O)(=O)Cc3ccccc3)n2c1 ZINC000123388579 543758956 /nfs/dbraw/zinc/75/89/56/543758956.db2.gz KEAGGYRXXQJCQO-UHFFFAOYSA-N 1 0 368.462 2.301 20 30 FEEDRO N#CC1(NC(=O)C[N@H+](C[C@@H]2CCCO2)[C@@H]2CCSC2)CCCCC1 ZINC000123640326 543774505 /nfs/dbraw/zinc/77/45/05/543774505.db2.gz NPLLXDUOPRMCQO-CVEARBPZSA-N 1 0 351.516 2.316 20 30 FEEDRO C[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)CN1C1CC1 ZINC000124070346 543799730 /nfs/dbraw/zinc/79/97/30/543799730.db2.gz VZCJNNAVYHMURQ-ZYHUDNBSSA-N 1 0 373.400 2.481 20 30 FEEDRO COc1cc(C#N)ccc1OCC(=O)NC[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000124152227 543803847 /nfs/dbraw/zinc/80/38/47/543803847.db2.gz SIXCJXQMFOLQEV-KRWDZBQOSA-N 1 0 359.470 2.430 20 30 FEEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N(C)CC[NH+]1CCCC1 ZINC000124227246 543808497 /nfs/dbraw/zinc/80/84/97/543808497.db2.gz YECUCTAUPRLXFQ-OAHLLOKOSA-N 1 0 374.510 2.431 20 30 FEEDRO CN(C(=O)c1ccc(C#N)cn1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000124880261 543848367 /nfs/dbraw/zinc/84/83/67/543848367.db2.gz MJQFWMQVBKYOOH-PMACEKPBSA-N 1 0 369.513 2.362 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)Nc2ccc(CN(C(C)=O)C3CC3)cc2)CC1 ZINC000124849891 543846614 /nfs/dbraw/zinc/84/66/14/543846614.db2.gz FWPPASFJQLDHIC-UHFFFAOYSA-N 1 0 353.466 2.481 20 30 FEEDRO CNS(=O)(=O)c1cccc(C[NH2+]C2CC(C#N)(c3ccccc3)C2)c1 ZINC000126122672 543918781 /nfs/dbraw/zinc/91/87/81/543918781.db2.gz RHESHFSPFPAFAR-UHFFFAOYSA-N 1 0 355.463 2.308 20 30 FEEDRO C[NH+]=C(NC[C@H]1CCOc2ccccc21)N1CC[C@H](c2cnn(C)c2)C1 ZINC000126902453 543962136 /nfs/dbraw/zinc/96/21/36/543962136.db2.gz QDFJXKDTMOFRSS-CVEARBPZSA-N 1 0 353.470 2.351 20 30 FEEDRO C[C@@H]1C[C@@H](NC(=O)N2CCN(c3cccc(F)c3C#N)CC2)C[N@@H+]1C1CC1 ZINC000127555925 544000328 /nfs/dbraw/zinc/00/03/28/544000328.db2.gz RYAOOKPUEPAEAE-HUUCEWRRSA-N 1 0 371.460 2.154 20 30 FEEDRO COc1ccc(CCNC(=[NH2+])NC[C@H](O)c2cccc(C)c2)cc1OC ZINC000128872043 544078195 /nfs/dbraw/zinc/07/81/95/544078195.db2.gz LZWIREICGONYKQ-KRWDZBQOSA-N 1 0 357.454 2.193 20 30 FEEDRO CCOC(=O)C(C)(C)C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000129247417 544100892 /nfs/dbraw/zinc/10/08/92/544100892.db2.gz ALACZXJTQBAXMM-UHFFFAOYSA-N 1 0 357.454 2.182 20 30 FEEDRO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[NH2+][C@H]2CCCC[C@@H]2C(N)=O)cc1 ZINC000130673142 544160534 /nfs/dbraw/zinc/16/05/34/544160534.db2.gz SRRUXGAPDFVRFG-NJAFHUGGSA-N 1 0 356.470 2.264 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2cnn(CC(C)C)c2C2CC2)c1C#N ZINC000133361119 544266790 /nfs/dbraw/zinc/26/67/90/544266790.db2.gz WDTBYVNDEGFZOA-UHFFFAOYSA-N 1 0 369.473 2.416 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(-c3ccccc3F)on2)c1C#N ZINC000133706387 544280256 /nfs/dbraw/zinc/28/02/56/544280256.db2.gz DUFIGSDHHHDTJM-UHFFFAOYSA-N 1 0 368.372 2.480 20 30 FEEDRO COc1ccc(C[N@H+](C)[C@@H](C)c2ccc(S(N)(=O)=O)cc2)cc1C#N ZINC000134970316 544329777 /nfs/dbraw/zinc/32/97/77/544329777.db2.gz OCSZALNMBRLPNM-ZDUSSCGKSA-N 1 0 359.451 2.407 20 30 FEEDRO C[NH+](C)Cc1ccc(CNS(=O)(=O)c2ccc(F)cc2C#N)cc1F ZINC000134902251 544326653 /nfs/dbraw/zinc/32/66/53/544326653.db2.gz XJHJFYCPVJFLRU-UHFFFAOYSA-N 1 0 365.405 2.377 20 30 FEEDRO CN(CCCc1[nH]nc(N)c1C#N)C(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000135368009 544343924 /nfs/dbraw/zinc/34/39/24/544343924.db2.gz VNUDLMKMGQLMDR-UHFFFAOYSA-N 1 0 366.469 2.164 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc3c(c2)C(=O)N(C)CC3)CC1 ZINC000136387180 544372543 /nfs/dbraw/zinc/37/25/43/544372543.db2.gz YNGMKOFBFDFSNK-UHFFFAOYSA-N 1 0 356.470 2.477 20 30 FEEDRO COCCC(=O)N1CCC([NH2+]Cc2ccc(N(C)CCC#N)cc2)CC1 ZINC000136655910 544376310 /nfs/dbraw/zinc/37/63/10/544376310.db2.gz CESDHIVZZDPKKN-UHFFFAOYSA-N 1 0 358.486 2.154 20 30 FEEDRO C#CCOc1ccc(F)cc1NC(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000136839141 544380210 /nfs/dbraw/zinc/38/02/10/544380210.db2.gz DVCMZAUBKJCHST-UHFFFAOYSA-N 1 0 363.433 2.148 20 30 FEEDRO C[NH+](C)CCN(Cc1ccccc1)S(=O)(=O)c1ccc(C#N)cc1F ZINC000151027722 544497633 /nfs/dbraw/zinc/49/76/33/544497633.db2.gz GADFCRKZUCRPID-UHFFFAOYSA-N 1 0 361.442 2.450 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N2C[C@@H](c3ccccc3)C[C@H](C(=O)OC)C2)CC1 ZINC000151413238 544538047 /nfs/dbraw/zinc/53/80/47/544538047.db2.gz HAAOLQBZPVUJAS-PMACEKPBSA-N 1 0 368.477 2.137 20 30 FEEDRO C[C@H]1C[C@@H](CNS(=O)(=O)c2ccc(C#N)nc2)C[N@@H+]1Cc1ccccc1 ZINC000152001629 544605246 /nfs/dbraw/zinc/60/52/46/544605246.db2.gz PJPRNBVXXODUSS-RDJZCZTQSA-N 1 0 370.478 2.142 20 30 FEEDRO CN(C(=O)CN1CCC[C@H](c2nncn2C2CC2)C1)C1(C#N)CCCCC1 ZINC000152467535 544657816 /nfs/dbraw/zinc/65/78/16/544657816.db2.gz BVAYGQYEJLJAPU-INIZCTEOSA-N 1 0 370.501 2.477 20 30 FEEDRO C[C@@H](O)C[C@@H]1CCC[N@@H+]1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000153162169 544740712 /nfs/dbraw/zinc/74/07/12/544740712.db2.gz WYXOMQLPXNFCQI-PBHICJAKSA-N 1 0 368.399 2.408 20 30 FEEDRO COc1ccc(C#N)cc1CN(CC(=O)N1CCCC1)C[C@@H]1CCCO1 ZINC000154144970 544870614 /nfs/dbraw/zinc/87/06/14/544870614.db2.gz ZBPZJQVFQAFMRN-SFHVURJKSA-N 1 0 357.454 2.170 20 30 FEEDRO N#Cc1ccc(NC(=O)CC[NH+]2CCC(OCCCO)CC2)cc1Cl ZINC000155083912 544986829 /nfs/dbraw/zinc/98/68/29/544986829.db2.gz NVJMROAAYRSAQD-UHFFFAOYSA-N 1 0 365.861 2.404 20 30 FEEDRO CCN(C[C@H](C)C#N)C(=O)C[NH2+]C(C)(C)C(=O)NCC1CCCCC1 ZINC000155256447 545006302 /nfs/dbraw/zinc/00/63/02/545006302.db2.gz IGUJNGIEPODEFS-OAHLLOKOSA-N 1 0 350.507 2.059 20 30 FEEDRO C[C@@H]([NH2+]C[C@H](O)CS(=O)(=O)c1cccs1)c1cccc(C#N)c1 ZINC000182062105 327759286 /nfs/dbraw/zinc/75/92/86/327759286.db2.gz XUAVSVPUSXWGJY-DOMZBBRYSA-N 1 0 350.465 2.105 20 30 FEEDRO C[C@@H](C[NH+]1CCCCCC1)NC(=O)c1ccc(-n2ncc(C#N)c2N)cc1 ZINC000185435499 327916586 /nfs/dbraw/zinc/91/65/86/327916586.db2.gz XKZSNKHSUQFVDL-HNNXBMFYSA-N 1 0 366.469 2.320 20 30 FEEDRO CCOC(=O)N1CC[C@@H]([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)C1 ZINC000186450053 327962427 /nfs/dbraw/zinc/96/24/27/327962427.db2.gz LHUBDAAJLHWFCS-LJQANCHMSA-N 1 0 356.470 2.343 20 30 FEEDRO C[C@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)[C@H](C(N)=O)C1 ZINC000187409240 328023470 /nfs/dbraw/zinc/02/34/70/328023470.db2.gz AILITEJTJFVCRL-FZMZJTMJSA-N 1 0 360.483 2.023 20 30 FEEDRO COc1ccc(O)cc1C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000189013583 328123498 /nfs/dbraw/zinc/12/34/98/328123498.db2.gz PPYHISNIBKNPSL-UHFFFAOYSA-N 1 0 353.422 2.476 20 30 FEEDRO Cc1nc(C#N)c(N2CCC(C(=O)NC[C@@H](C)C[NH+]3CCCCC3)CC2)o1 ZINC000189187641 328133869 /nfs/dbraw/zinc/13/38/69/328133869.db2.gz WAMYJNRAZKEIKP-OAHLLOKOSA-N 1 0 373.501 2.309 20 30 FEEDRO CCO[C@H]1C[C@](CO)([NH2+]CCC(=O)Nc2sccc2C#N)C1(C)C ZINC000189996985 328181302 /nfs/dbraw/zinc/18/13/02/328181302.db2.gz HIRZPFZFFONRAB-SUMWQHHRSA-N 1 0 351.472 2.104 20 30 FEEDRO COc1cc(C#N)ccc1S(=O)(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000191884622 328286872 /nfs/dbraw/zinc/28/68/72/328286872.db2.gz YMJAJNDGSVEUEH-MRXNPFEDSA-N 1 0 365.499 2.356 20 30 FEEDRO COc1ccc(C[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1O ZINC000192241824 328308877 /nfs/dbraw/zinc/30/88/77/328308877.db2.gz PKWIKILUOLCIQA-QGZVFWFLSA-N 1 0 351.406 2.163 20 30 FEEDRO CC(C)C[C@H](CNC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C)[NH+](C)C ZINC000192546352 328324981 /nfs/dbraw/zinc/32/49/81/328324981.db2.gz IQAOGISJSXJIES-OAHLLOKOSA-N 1 0 361.490 2.146 20 30 FEEDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000192752359 328337363 /nfs/dbraw/zinc/33/73/63/328337363.db2.gz ZCLOGPYCKKKTMX-LSDHHAIUSA-N 1 0 373.501 2.290 20 30 FEEDRO C[C@@H](O)C[N@@H+]1CCN(Cc2cc(C#N)ccc2Br)[C@H](C)C1 ZINC000192819584 328341247 /nfs/dbraw/zinc/34/12/47/328341247.db2.gz BDYUCAPOOFQKFX-CHWSQXEVSA-N 1 0 352.276 2.208 20 30 FEEDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000192939948 328348140 /nfs/dbraw/zinc/34/81/40/328348140.db2.gz YRIBOEXGUACGCX-INIZCTEOSA-N 1 0 373.501 2.434 20 30 FEEDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000192972590 328349881 /nfs/dbraw/zinc/34/98/81/328349881.db2.gz FHLUODKCQYTSNI-HNNXBMFYSA-N 1 0 359.474 2.044 20 30 FEEDRO CN(Cc1cccc(C#N)c1)C(=O)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000193580206 328383148 /nfs/dbraw/zinc/38/31/48/328383148.db2.gz PQAMETMKYLEQBK-UHFFFAOYSA-N 1 0 350.422 2.217 20 30 FEEDRO Cc1nc(C#N)c(N2CCC(C(=O)NCC[C@@H](C)[NH+]3CCCCC3)CC2)o1 ZINC000193804838 328396493 /nfs/dbraw/zinc/39/64/93/328396493.db2.gz MDVJMQCJGSNRAN-OAHLLOKOSA-N 1 0 373.501 2.452 20 30 FEEDRO CC(C)CC[NH+]1CCC(CNC(=O)CNC(=O)c2ccc(C#N)cc2)CC1 ZINC000080040063 325115297 /nfs/dbraw/zinc/11/52/97/325115297.db2.gz QVZOGSMBDQIPLY-UHFFFAOYSA-N 1 0 370.497 2.162 20 30 FEEDRO C[C@@H](NC(=O)N1CCN(c2ccccc2C#N)CC1)C(C)(C)C[NH+](C)C ZINC000085365658 325251270 /nfs/dbraw/zinc/25/12/70/325251270.db2.gz JWYWFGSQMUYBTH-MRXNPFEDSA-N 1 0 357.502 2.366 20 30 FEEDRO CC(C)C[C@@H](CNC(=O)C(=O)Nc1cc(C#N)ccc1Cl)[NH+](C)C ZINC000088768138 325300433 /nfs/dbraw/zinc/30/04/33/325300433.db2.gz SNBCHGLHCNGMKZ-ZDUSSCGKSA-N 1 0 350.850 2.243 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)Cc2csc(C(C)(C)C)n2)c1C#N ZINC000089676161 325326530 /nfs/dbraw/zinc/32/65/30/325326530.db2.gz SWHBSKJXURWKKQ-UHFFFAOYSA-N 1 0 360.487 2.369 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H](C)Oc2ccc(F)c(F)c2)c1C#N ZINC000089675519 325326782 /nfs/dbraw/zinc/32/67/82/325326782.db2.gz CCPDDTJYWARWMU-SNVBAGLBSA-N 1 0 363.368 2.118 20 30 FEEDRO CCCC[C@@H](C(=O)Nc1cc(C)on1)[N@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000089943451 325343552 /nfs/dbraw/zinc/34/35/52/325343552.db2.gz VQZWPWMJOWXKDS-HNNXBMFYSA-N 1 0 373.461 2.222 20 30 FEEDRO CN1CC[NH+]([C@H]2CCCCN(C(=O)/C=C/c3cccc(C#N)c3)C2)CC1 ZINC000091688253 325389984 /nfs/dbraw/zinc/38/99/84/325389984.db2.gz OSWSHLFMAZVFFA-IBDYFIJFSA-N 1 0 352.482 2.200 20 30 FEEDRO Cc1nc2n(n1)C[C@H]([NH2+][C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1)CC2 ZINC000112549557 325789389 /nfs/dbraw/zinc/78/93/89/325789389.db2.gz DQZMBXWTCNJGEX-IINYFYTJSA-N 1 0 358.833 2.043 20 30 FEEDRO CC(C)(C[NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1)c1ccc2c(c1)OCO2 ZINC000115598695 325969209 /nfs/dbraw/zinc/96/92/09/325969209.db2.gz SRMHYAYBTSCQRX-GOSISDBHSA-N 1 0 351.406 2.381 20 30 FEEDRO CS(=O)(=O)N[C@@H]1CC[N@H+](Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000116890919 326040391 /nfs/dbraw/zinc/04/03/91/326040391.db2.gz UESLOZQWVOIHQQ-GOSISDBHSA-N 1 0 355.463 2.349 20 30 FEEDRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)C(=O)Nc3cccc(C#N)c3)C2)CC1 ZINC000119663491 326185821 /nfs/dbraw/zinc/18/58/21/326185821.db2.gz HVECKGGBNHAXFJ-SFHVURJKSA-N 1 0 368.481 2.467 20 30 FEEDRO N#Cc1cc(Cl)ccc1S(=O)(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000120432681 326258276 /nfs/dbraw/zinc/25/82/76/326258276.db2.gz FDZATUWSABGOFQ-CYBMUJFWSA-N 1 0 353.875 2.318 20 30 FEEDRO CCC[NH+]1CCC(N(C)S(=O)(=O)Cc2cc(C#N)ccc2F)CC1 ZINC000120797926 326288738 /nfs/dbraw/zinc/28/87/38/326288738.db2.gz PEPBPGJNMVMYQU-UHFFFAOYSA-N 1 0 353.463 2.333 20 30 FEEDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)Cc1cc(C#N)ccc1F ZINC000120984785 326304278 /nfs/dbraw/zinc/30/42/78/326304278.db2.gz KKKKSUAAVROHPU-QLFBSQMISA-N 1 0 367.490 2.483 20 30 FEEDRO N#Cc1ccsc1NC(=O)CC[NH+]1CCC(OC[C@H]2CCOC2)CC1 ZINC000132126455 326587460 /nfs/dbraw/zinc/58/74/60/326587460.db2.gz QEQVKPGDKIUURS-AWEZNQCLSA-N 1 0 363.483 2.466 20 30 FEEDRO CN(Cc1ccc(C#N)cc1)C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000156118409 326818357 /nfs/dbraw/zinc/81/83/57/326818357.db2.gz VUYMVKDGAMEXHC-VQTJNVASSA-N 1 0 370.497 2.468 20 30 FEEDRO C[C@@](CO)([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)C1CCCCC1 ZINC000156781928 326843636 /nfs/dbraw/zinc/84/36/36/326843636.db2.gz VYEFISNXSLPSPQ-SFHVURJKSA-N 1 0 350.484 2.253 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cn1 ZINC000170657000 327091410 /nfs/dbraw/zinc/09/14/10/327091410.db2.gz DEAMUUFGULRPNM-UHFFFAOYSA-N 1 0 356.451 2.028 20 30 FEEDRO C[NH+](C)CCCN(Cc1ccccc1)S(=O)(=O)c1ccc(C#N)nc1 ZINC000170655167 327091430 /nfs/dbraw/zinc/09/14/30/327091430.db2.gz UQLMKNRXOOWKJU-UHFFFAOYSA-N 1 0 358.467 2.096 20 30 FEEDRO CNC(=O)[C@H]1CCCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000170910123 327106952 /nfs/dbraw/zinc/10/69/52/327106952.db2.gz SGQLKDOJZHBYDA-CQSZACIVSA-N 1 0 360.483 2.038 20 30 FEEDRO C[NH+](C)CC[C@@H](NC(=O)N1CCN(c2ccc(C#N)cn2)CC1)C(C)(C)C ZINC000172125272 327182327 /nfs/dbraw/zinc/18/23/27/327182327.db2.gz UBOXWEYJDXHDPK-QGZVFWFLSA-N 1 0 372.517 2.151 20 30 FEEDRO Cc1cccc(NC(=O)C(=O)NC[C@@H](c2cccs2)[NH+](C)C)c1C#N ZINC000174568694 327335478 /nfs/dbraw/zinc/33/54/78/327335478.db2.gz JMWGEWCVKZOZJH-HNNXBMFYSA-N 1 0 356.451 2.286 20 30 FEEDRO N#Cc1c(NC(=O)CC[N@H+]2CCC[C@@H](CC(N)=O)C2)sc2c1CCCC2 ZINC000175254317 327382522 /nfs/dbraw/zinc/38/25/22/327382522.db2.gz MRAJXTNUORZECN-ZDUSSCGKSA-N 1 0 374.510 2.415 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)CCN2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000176267193 327444903 /nfs/dbraw/zinc/44/49/03/327444903.db2.gz BKYMWJRNPKEAEI-SFHVURJKSA-N 1 0 361.511 2.140 20 30 FEEDRO Cc1c(C#N)cccc1NC(=O)C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000178497317 327588573 /nfs/dbraw/zinc/58/85/73/327588573.db2.gz SUOOPSMGPHUZFU-INIZCTEOSA-N 1 0 354.454 2.140 20 30 FEEDRO Cc1ccc(C#N)cc1NC(=O)C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000178517074 327589772 /nfs/dbraw/zinc/58/97/72/327589772.db2.gz MMWSMQWRVCRNKT-UHFFFAOYSA-N 1 0 354.454 2.282 20 30 FEEDRO CCO[C@@H]1C[C@](CO)([NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1(C)C ZINC000248757441 328739250 /nfs/dbraw/zinc/73/92/50/328739250.db2.gz PXCANAUQYJCAET-WAOWUJCRSA-N 1 0 371.481 2.209 20 30 FEEDRO N#Cc1cc(S(=O)(=O)N[C@@H]2CCCC[C@H]2C[NH3+])ccc1C(F)(F)F ZINC000262006951 328834715 /nfs/dbraw/zinc/83/47/15/328834715.db2.gz GWMOCRHFTASTQZ-IINYFYTJSA-N 1 0 361.389 2.373 20 30 FEEDRO CN(Cc1ccc(C#N)cc1)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000264357145 329013842 /nfs/dbraw/zinc/01/38/42/329013842.db2.gz APHJXRGCOVSSAI-UHFFFAOYSA-N 1 0 356.470 2.345 20 30 FEEDRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)/C=C/c2ccc(C#N)cc2)CC1 ZINC000264371961 329015677 /nfs/dbraw/zinc/01/56/77/329015677.db2.gz CXVZEGQOBHEHRN-SQUSKLHYSA-N 1 0 352.482 2.200 20 30 FEEDRO COCC[N@@H+]1CC[C@H](NC(=O)c2ccc(COc3ccccc3C#N)o2)C1 ZINC000264426821 329021795 /nfs/dbraw/zinc/02/17/95/329021795.db2.gz ADNDMEBAUWJPFA-INIZCTEOSA-N 1 0 369.421 2.181 20 30 FEEDRO COCC[N@@H+]1CC[C@H](NC(=O)c2occc2COc2cccc(C#N)c2)C1 ZINC000264513190 329031458 /nfs/dbraw/zinc/03/14/58/329031458.db2.gz LVEVDYZSXGFLLZ-KRWDZBQOSA-N 1 0 369.421 2.181 20 30 FEEDRO C[C@H](NC(=O)N1CC[NH+](CC2CCOCC2)CC1)c1ccc(C#N)cc1 ZINC000265572716 329139939 /nfs/dbraw/zinc/13/99/39/329139939.db2.gz XEYIIIDMSNHCCK-INIZCTEOSA-N 1 0 356.470 2.373 20 30 FEEDRO C[N@H+](CCC(=O)Nc1ccc(C#N)cc1)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000266871570 329267865 /nfs/dbraw/zinc/26/78/65/329267865.db2.gz QEVRFDCZJIIVNJ-IAGOWNOFSA-N 1 0 363.483 2.174 20 30 FEEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NS(=O)(=O)c1ccc(C#N)nc1 ZINC000267289188 329310841 /nfs/dbraw/zinc/31/08/41/329310841.db2.gz QWOBMMPFGCJPNF-DNVCBOLYSA-N 1 0 370.478 2.142 20 30 FEEDRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)Nc1ccc(F)cc1C#N ZINC000267541713 329336683 /nfs/dbraw/zinc/33/66/83/329336683.db2.gz DPGLJMHNHMEMDG-CQSZACIVSA-N 1 0 360.433 2.407 20 30 FEEDRO CC1CC[NH+](CCCNC(=O)C(=O)Nc2ccc(C#N)cc2Cl)CC1 ZINC000269075752 329483131 /nfs/dbraw/zinc/48/31/31/329483131.db2.gz GNKKPAUZPJNKPX-UHFFFAOYSA-N 1 0 362.861 2.388 20 30 FEEDRO COc1ccc(C#N)cc1NC(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000269103534 329485829 /nfs/dbraw/zinc/48/58/29/329485829.db2.gz GOHDRRPUVSXXKS-SJORKVTESA-N 1 0 358.442 2.066 20 30 FEEDRO CS(=O)(=O)c1ccc([C@H](O)C[NH2+]C2(c3cccc(C#N)c3)CC2)cc1 ZINC000271802405 329726597 /nfs/dbraw/zinc/72/65/97/329726597.db2.gz PGCGLMWNXYACAW-GOSISDBHSA-N 1 0 356.447 2.274 20 30 FEEDRO C[C@H]([NH2+]CC(=O)NCc1ccc(C#N)cc1)c1ccc([S@@](C)=O)cc1 ZINC000272978867 329827958 /nfs/dbraw/zinc/82/79/58/329827958.db2.gz QAPXELPYQOQANW-HWRSSNJWSA-N 1 0 355.463 2.263 20 30 FEEDRO Cc1nc(C#N)c(N2CCC(C(=O)NC3CC[NH+](C(C)C)CC3)CC2)o1 ZINC000276574116 330166272 /nfs/dbraw/zinc/16/62/72/330166272.db2.gz ITNSRUBUZLVTIP-UHFFFAOYSA-N 1 0 359.474 2.060 20 30 FEEDRO CC(C)[C@@H]1CCc2c(C#N)c(NC(=O)C(=O)N3C[C@H](C)[C@H]([NH3+])C3)sc2C1 ZINC000331784258 330200862 /nfs/dbraw/zinc/20/08/62/330200862.db2.gz IHWZFIRBDBZIQH-YWPYICTPSA-N 1 0 374.510 2.125 20 30 FEEDRO N#Cc1ccc(OC[C@H](O)C[NH2+][C@]2(CO)CCCc3ccccc32)cc1 ZINC000367110190 330217940 /nfs/dbraw/zinc/21/79/40/330217940.db2.gz WOUCEJNXAIXUTH-NQIIRXRSSA-N 1 0 352.434 2.112 20 30 FEEDRO N#Cc1ccc2ncc(C[N@H+]3CCC[C@H](C(=O)Nc4ccccn4)C3)n2c1 ZINC000367226402 330233037 /nfs/dbraw/zinc/23/30/37/330233037.db2.gz LRUPJHJUPVJGHR-INIZCTEOSA-N 1 0 360.421 2.452 20 30 FEEDRO CCOCC[NH+]1CCN(Cc2ccc(Br)cc2C#N)CC1 ZINC000554215530 674308536 /nfs/dbraw/zinc/30/85/36/674308536.db2.gz CUJZZDVEXAEDBC-UHFFFAOYSA-N 1 0 352.276 2.475 20 30 FEEDRO N#Cc1cccc(OCCC[NH+]2CCC(c3ccnn3CCO)CC2)c1 ZINC000155968941 545587982 /nfs/dbraw/zinc/58/79/82/545587982.db2.gz ALRFVWLFDCNHNO-UHFFFAOYSA-N 1 0 354.454 2.396 20 30 FEEDRO CC(=O)N1CC[C@@H](C[N@@H+](C)[C@@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000156648223 545642269 /nfs/dbraw/zinc/64/22/69/545642269.db2.gz LMNZPGRKTAQYAH-WMZOPIPTSA-N 1 0 356.470 2.122 20 30 FEEDRO C[NH+](C)CCN(Cc1cccc(O)c1)C(=O)COc1ccccc1C#N ZINC000157287520 545723139 /nfs/dbraw/zinc/72/31/39/545723139.db2.gz WGPCRZABZSWVFL-UHFFFAOYSA-N 1 0 353.422 2.233 20 30 FEEDRO C[C@H](Oc1ccccc1C#N)C(=O)Nc1ccnc(OCC[NH+](C)C)c1 ZINC000478063617 561159401 /nfs/dbraw/zinc/15/94/01/561159401.db2.gz PCKNRSSPBOPCBG-AWEZNQCLSA-N 1 0 354.410 2.300 20 30 FEEDRO COc1c[nH+]ccc1N1CCN(C(=O)[C@H](C)Oc2ccccc2C#N)CC1 ZINC000478478215 561167967 /nfs/dbraw/zinc/16/79/67/561167967.db2.gz DNEJIHOWDKPBHE-HNNXBMFYSA-N 1 0 366.421 2.078 20 30 FEEDRO CC(C)Oc1ccc(NC(=O)C(=O)N[C@@H](C)C[NH+]2CCCCC2)cc1C#N ZINC000160187242 546016051 /nfs/dbraw/zinc/01/60/51/546016051.db2.gz UQCMJRZCRCZOTJ-HNNXBMFYSA-N 1 0 372.469 2.275 20 30 FEEDRO CC(C)Oc1ccc(NC(=O)C(=O)NC[C@@H](C)C[NH+]2CCCC2)cc1C#N ZINC000160623757 546056815 /nfs/dbraw/zinc/05/68/15/546056815.db2.gz BLWKDXIWCXBJBX-OAHLLOKOSA-N 1 0 372.469 2.132 20 30 FEEDRO C[C@H](Oc1ccccc1C#N)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000160664190 546061001 /nfs/dbraw/zinc/06/10/01/546061001.db2.gz MNVDQDAXMPJLPZ-IPELMVKDSA-N 1 0 371.481 2.210 20 30 FEEDRO CCC[C@@H]1CN(C(=O)NCc2ccc(C#N)cc2F)CC[N@@H+]1CCOC ZINC000161752482 546133722 /nfs/dbraw/zinc/13/37/22/546133722.db2.gz HNFXODZRONNJSP-QGZVFWFLSA-N 1 0 362.449 2.340 20 30 FEEDRO CCc1nn(C)c(CC)c1CNC(=[NH2+])NCCc1ccc(OC)c(OC)c1 ZINC000162887208 546142555 /nfs/dbraw/zinc/14/25/55/546142555.db2.gz ZMYMBPYJWWRABP-UHFFFAOYSA-N 1 0 373.501 2.209 20 30 FEEDRO N#CC1CCN(CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)CC1 ZINC000170644079 546167874 /nfs/dbraw/zinc/16/78/74/546167874.db2.gz MHOIIPBZPDOQSO-UHFFFAOYSA-N 1 0 358.511 2.409 20 30 FEEDRO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CCC[C@H](CCC(N)=O)C1 ZINC000170734055 546174594 /nfs/dbraw/zinc/17/45/94/546174594.db2.gz DDGWHXSZJNMGQQ-MUZJZNNISA-N 1 0 362.518 2.283 20 30 FEEDRO COC[C@@H](C)NC(=[NH2+])NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000170909983 546181890 /nfs/dbraw/zinc/18/18/90/546181890.db2.gz UPOOMZMQCXLFOV-LLVKDONJSA-N 1 0 355.364 2.330 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)[C@H]2CCCN(C(=O)Cc3ccccc3)C2)CC1 ZINC000171719019 546220538 /nfs/dbraw/zinc/22/05/38/546220538.db2.gz NIRNCRDWKQIIMX-IBGZPJMESA-N 1 0 369.509 2.234 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)c2ccc(N3C[C@@H](C)O[C@@H](C)C3)nc2)CC1 ZINC000171721468 546221418 /nfs/dbraw/zinc/22/14/18/546221418.db2.gz QSXNVMMEKOPHMK-IYBDPMFKSA-N 1 0 358.486 2.075 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N(CC)Cc2nc3ccccc3c(=O)[nH]2)CC1 ZINC000171738787 546223609 /nfs/dbraw/zinc/22/36/09/546223609.db2.gz MMBJGBHNNYDRET-UHFFFAOYSA-N 1 0 369.469 2.105 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N(C)[C@H]2CCN(c3ccccc3F)C2=O)CC1 ZINC000171944061 546230567 /nfs/dbraw/zinc/23/05/67/546230567.db2.gz HOOYJEMMRBGDDG-SFHVURJKSA-N 1 0 374.460 2.223 20 30 FEEDRO C[NH+]1CCN(c2cc(C(=O)N[C@H](C#N)c3ccccc3Cl)ccn2)CC1 ZINC000172023668 546233844 /nfs/dbraw/zinc/23/38/44/546233844.db2.gz AKUZWPWCHNNMSU-QGZVFWFLSA-N 1 0 369.856 2.481 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C[C@H]2CN(Cc3ccccc3)CCO2)CC1 ZINC000173160762 546275141 /nfs/dbraw/zinc/27/51/41/546275141.db2.gz ICQVTHDZRVXRCW-FQEVSTJZSA-N 1 0 357.498 2.044 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)[C@@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC000173255650 546276645 /nfs/dbraw/zinc/27/66/45/546276645.db2.gz SMJSDCPICMPPBV-DLBZAZTESA-N 1 0 357.454 2.255 20 30 FEEDRO C=CCOc1ccccc1CNC(=O)NC[C@@H](C)C[NH+]1CCN(CC)CC1 ZINC000174842521 546304523 /nfs/dbraw/zinc/30/45/23/546304523.db2.gz LTJSFUYFPPHKMQ-GOSISDBHSA-N 1 0 374.529 2.324 20 30 FEEDRO N#CCCN(C(=O)C[N@H+]1CCC[C@H](CC(N)=O)C1)c1cccc(Cl)c1 ZINC000175311367 546308843 /nfs/dbraw/zinc/30/88/43/546308843.db2.gz SGHPMOMXTISFKM-CQSZACIVSA-N 1 0 362.861 2.174 20 30 FEEDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C(=O)Nc2ccc(F)cc2C#N)C1 ZINC000175948814 546377903 /nfs/dbraw/zinc/37/79/03/546377903.db2.gz KNJCISAEZHIPBJ-ZIAGYGMSSA-N 1 0 360.433 2.120 20 30 FEEDRO C[C@@H]1CCC[N@H+](CCCCNC(=O)C(=O)Nc2ccc(F)cc2C#N)C1 ZINC000175949687 546377990 /nfs/dbraw/zinc/37/79/90/546377990.db2.gz TUQAMILEWQIWSX-CQSZACIVSA-N 1 0 360.433 2.264 20 30 FEEDRO C=CCC1(C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)CCC1 ZINC000480163982 561204088 /nfs/dbraw/zinc/20/40/88/561204088.db2.gz CLLQRJFCWRGYAV-UHFFFAOYSA-N 1 0 357.502 2.241 20 30 FEEDRO CCN1CC[NH+](C[C@H](C)CNC(=O)c2cccc(SCC#N)c2)CC1 ZINC000176024212 546392521 /nfs/dbraw/zinc/39/25/21/546392521.db2.gz ANKIYDUAXHIQRQ-MRXNPFEDSA-N 1 0 360.527 2.306 20 30 FEEDRO N#C[C@@H](NC(=O)CC[NH+]1CCN(c2ccccn2)CC1)C1CCCCC1 ZINC000176583405 546464540 /nfs/dbraw/zinc/46/45/40/546464540.db2.gz WEZHDKXNIDKUIU-GOSISDBHSA-N 1 0 355.486 2.182 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H]2CCN(c3ccccc3OC)C2)CC1 ZINC000176586323 546465444 /nfs/dbraw/zinc/46/54/44/546465444.db2.gz IDDHMEPRQQNCIB-QGZVFWFLSA-N 1 0 358.486 2.224 20 30 FEEDRO N#Cc1ccc(CS(=O)(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)c(F)c1 ZINC000481033693 561223547 /nfs/dbraw/zinc/22/35/47/561223547.db2.gz HPLSPSYRWVLGCI-INIZCTEOSA-N 1 0 365.474 2.335 20 30 FEEDRO Cc1c(C#N)cccc1NC(=O)C(=O)N[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000178450437 546795856 /nfs/dbraw/zinc/79/58/56/546795856.db2.gz NOBDQAGVHCZVDC-ZNMIVQPWSA-N 1 0 356.470 2.288 20 30 FEEDRO Cc1c(C#N)cccc1NC(=O)C(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000178448734 546796254 /nfs/dbraw/zinc/79/62/54/546796254.db2.gz DIINPNCPKACUOT-UHFFFAOYSA-N 1 0 350.422 2.053 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N2CCO[C@@H](c3cccc(OC)c3)C2)CC1 ZINC000178774896 546848124 /nfs/dbraw/zinc/84/81/24/546848124.db2.gz MUURKWKIDLFIAN-LJQANCHMSA-N 1 0 359.470 2.429 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CC1 ZINC000179229304 546917505 /nfs/dbraw/zinc/91/75/05/546917505.db2.gz OVQIKHXREQYJJO-UHFFFAOYSA-N 1 0 355.398 2.161 20 30 FEEDRO C#CCCOc1ccc(C[NH+]2CCC(C(=O)N3CCOCC3)CC2)cc1 ZINC000179690365 546998648 /nfs/dbraw/zinc/99/86/48/546998648.db2.gz ZMUJQBWWXQZFLB-UHFFFAOYSA-N 1 0 356.466 2.160 20 30 FEEDRO CC[C@H]1Oc2cc([C@H](C)[NH2+]CC(=O)N[C@@](C)(C#N)C3CC3)ccc2NC1=O ZINC000180006607 547038757 /nfs/dbraw/zinc/03/87/57/547038757.db2.gz POAMTQIIUARFOX-KRYHZZBUSA-N 1 0 370.453 2.255 20 30 FEEDRO Cn1cc(C[NH2+]CCCNC(=O)C2CCC2)c(-c2ccc(C#N)cc2)n1 ZINC000180279806 547077203 /nfs/dbraw/zinc/07/72/03/547077203.db2.gz BPXRCVBMGIMEDK-UHFFFAOYSA-N 1 0 351.454 2.355 20 30 FEEDRO C[C@H](NC(=O)C(=O)Nc1ccc(C#N)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000180405872 547102923 /nfs/dbraw/zinc/10/29/23/547102923.db2.gz UAGUBZPGFRKHKX-HOCLYGCPSA-N 1 0 354.454 2.266 20 30 FEEDRO CCc1ccccc1NC(=O)C[C@H](C)[NH2+]CCNC(=O)C1N=CC=CC1=O ZINC000180868964 547199494 /nfs/dbraw/zinc/19/94/94/547199494.db2.gz HSZBMNVFYPATQB-SXZOAGKDSA-N 1 0 370.453 2.082 20 30 FEEDRO C=CCNC(=O)CN[C@@H](c1ccc(C)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000181161639 547260626 /nfs/dbraw/zinc/26/06/26/547260626.db2.gz OSNLXTDYWZGYKS-FQEVSTJZSA-N 1 0 372.490 2.380 20 30 FEEDRO N#Cc1cc(C(=O)NCCCC[NH+]2CCN(c3ccccc3)CC2)c[nH]1 ZINC000181229620 547274973 /nfs/dbraw/zinc/27/49/73/547274973.db2.gz JFMOSHUQUXIJRG-UHFFFAOYSA-N 1 0 351.454 2.219 20 30 FEEDRO CC[C@H](O)C[NH+]1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 ZINC000181439245 547315294 /nfs/dbraw/zinc/31/52/94/547315294.db2.gz XWBRACHCHBXSNR-HOTGVXAUSA-N 1 0 352.276 2.402 20 30 FEEDRO CNC(=O)C[C@H]([NH2+]CCC(=O)Nc1ccc(C#N)cc1)c1ccccc1 ZINC000483404870 561276333 /nfs/dbraw/zinc/27/63/33/561276333.db2.gz KCVDKHILALDBDC-SFHVURJKSA-N 1 0 350.422 2.354 20 30 FEEDRO CNC(=O)C[C@H]([NH2+]CCC(=O)Nc1sccc1C#N)c1ccccc1 ZINC000483427583 561276880 /nfs/dbraw/zinc/27/68/80/561276880.db2.gz SEEKCXCXNGOSES-HNNXBMFYSA-N 1 0 356.451 2.415 20 30 FEEDRO CC[C@H]([NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1)[C@H]1CCCO1 ZINC000182355571 547478479 /nfs/dbraw/zinc/47/84/79/547478479.db2.gz MOAGXIFEOUIKKY-DLBZAZTESA-N 1 0 353.426 2.230 20 30 FEEDRO C[NH+](C)C[C@@](C)(O)CNC(=O)c1ccccc1Oc1ccccc1C#N ZINC000182372798 547481383 /nfs/dbraw/zinc/48/13/83/547481383.db2.gz TVZKXAUHVIGVIV-FQEVSTJZSA-N 1 0 353.422 2.393 20 30 FEEDRO C=CCSCCNC(=O)NCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000182618052 547522601 /nfs/dbraw/zinc/52/26/01/547522601.db2.gz NNDCZVAGZCGCQG-SFHVURJKSA-N 1 0 363.527 2.362 20 30 FEEDRO C=CC1CC[NH+](CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)CC1 ZINC000182776562 547551272 /nfs/dbraw/zinc/55/12/72/547551272.db2.gz BEWPDUXLVPZDNS-KRWDZBQOSA-N 1 0 358.511 2.355 20 30 FEEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H](C)c1cnn(-c2ccc(F)cc2)c1C ZINC000182873777 547564604 /nfs/dbraw/zinc/56/46/04/547564604.db2.gz MMNCATBCJZHCGL-OLZOCXBDSA-N 1 0 373.432 2.371 20 30 FEEDRO N#Cc1cccc(NC(=O)CN2CCC(CCC[NH+]3CCOCC3)CC2)c1 ZINC000182972761 547581233 /nfs/dbraw/zinc/58/12/33/547581233.db2.gz NKZARTNIGARLTF-UHFFFAOYSA-N 1 0 370.497 2.321 20 30 FEEDRO C=CC[C@@H](CO)NC(=O)C(=O)Nc1cccc2c1C[N@H+]([C@@H](C)C(C)C)C2 ZINC000183213110 547622035 /nfs/dbraw/zinc/62/20/35/547622035.db2.gz LPXMXULMOHYGJZ-HOCLYGCPSA-N 1 0 359.470 2.038 20 30 FEEDRO C[NH+](C)CCNC(=O)c1cccc(CNc2cc(C#N)ccc2[N+](=O)[O-])c1 ZINC000183791945 547720257 /nfs/dbraw/zinc/72/02/57/547720257.db2.gz IIMRYURILFZPLD-UHFFFAOYSA-N 1 0 367.409 2.370 20 30 FEEDRO CC#CCCCC(=O)NCc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000183826332 547725631 /nfs/dbraw/zinc/72/56/31/547725631.db2.gz FRHSXQQMYFLHFD-UHFFFAOYSA-N 1 0 355.482 2.322 20 30 FEEDRO C[C@@H](C#N)Oc1ccccc1NC(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000184306043 547804414 /nfs/dbraw/zinc/80/44/14/547804414.db2.gz YYJDPTKSGOLZIY-INIZCTEOSA-N 1 0 373.501 2.467 20 30 FEEDRO C#CCOc1ccccc1NC(=O)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000184896059 547895717 /nfs/dbraw/zinc/89/57/17/547895717.db2.gz PBSULKTXUCOWHU-UHFFFAOYSA-N 1 0 369.465 2.160 20 30 FEEDRO COc1cc(C#N)ccc1S(=O)(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000185410753 547980756 /nfs/dbraw/zinc/98/07/56/547980756.db2.gz FVCQSGLPFXVBMH-UHFFFAOYSA-N 1 0 373.478 2.367 20 30 FEEDRO COc1ccc(C[NH2+]Cc2ccc(N3CCCS3(=O)=O)cc2)cc1C#N ZINC000185854777 548045545 /nfs/dbraw/zinc/04/55/45/548045545.db2.gz YAPABBRIMNLAKF-UHFFFAOYSA-N 1 0 371.462 2.397 20 30 FEEDRO C=CCN(CCc1ccccc1)C(=O)N[C@H](C)CC[NH+]1CCN(C)CC1 ZINC000186128508 548088344 /nfs/dbraw/zinc/08/83/44/548088344.db2.gz WGSHBGIWGCVFKW-LJQANCHMSA-N 1 0 358.530 2.453 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)NC[C@](C)(C(=O)OCC)c2ccccc2)CC1 ZINC000189687503 548308291 /nfs/dbraw/zinc/30/82/91/548308291.db2.gz LJLBKSGTHHDYPT-NRFANRHFSA-N 1 0 373.497 2.457 20 30 FEEDRO CN1CCc2cc(C[NH2+][C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)ccc21 ZINC000192244089 548361746 /nfs/dbraw/zinc/36/17/46/548361746.db2.gz VPODFTQELDYSEH-HXUWFJFHSA-N 1 0 360.461 2.441 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2sc(CCC)nc2C)CC1 ZINC000486399861 561346329 /nfs/dbraw/zinc/34/63/29/561346329.db2.gz DISITQGNLAHRHY-UHFFFAOYSA-N 1 0 350.488 2.109 20 30 FEEDRO CCOC1CC(CNC(=[NH2+])Nc2cc(C)cc(C)c2)(N2CCOCC2)C1 ZINC000193827635 548398450 /nfs/dbraw/zinc/39/84/50/548398450.db2.gz ASWAHRFASWCSNS-UHFFFAOYSA-N 1 0 360.502 2.300 20 30 FEEDRO C[C@@H](CNC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1)C[NH+]1CCCC1 ZINC000193876887 548399436 /nfs/dbraw/zinc/39/94/36/548399436.db2.gz GYMJWWUSBPJEPP-HNNXBMFYSA-N 1 0 356.470 2.274 20 30 FEEDRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)Cc2ccc(C#N)cc2)CC1 ZINC000194885488 548544877 /nfs/dbraw/zinc/54/48/77/548544877.db2.gz RVOKMZAMCUXIBZ-HDICACEKSA-N 1 0 354.498 2.118 20 30 FEEDRO COc1ccccc1-n1ncc(C(=O)N(CCC#N)CCC[NH+](C)C)c1C ZINC000195144668 548583739 /nfs/dbraw/zinc/58/37/39/548583739.db2.gz TZBAFORQDZEZIB-UHFFFAOYSA-N 1 0 369.469 2.497 20 30 FEEDRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)c2cccc(CC#N)c2)CC1 ZINC000195457123 548643299 /nfs/dbraw/zinc/64/32/99/548643299.db2.gz ZLODIIHMSKYINU-HDICACEKSA-N 1 0 354.498 2.383 20 30 FEEDRO CC[C@@H]1CN(CC[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)CCO1 ZINC000487172123 561365444 /nfs/dbraw/zinc/36/54/44/561365444.db2.gz RSESFVFNACQNMO-LJQANCHMSA-N 1 0 353.470 2.159 20 30 FEEDRO CC(=O)NC[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000195718933 548655971 /nfs/dbraw/zinc/65/59/71/548655971.db2.gz UHUATPQTAPPJRW-WMZOPIPTSA-N 1 0 356.470 2.170 20 30 FEEDRO C=CCN1C(=S)N=NC1c1sc(NC(=O)[C@@H]([NH3+])C(C)C)nc1C ZINC000236807113 548780155 /nfs/dbraw/zinc/78/01/55/548780155.db2.gz BPFWBVKHLRKZTB-VIFPVBQESA-N 1 0 352.489 2.107 20 30 FEEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+](C)C[C@H]1CCC[C@@H]1O ZINC000246247060 549088020 /nfs/dbraw/zinc/08/80/20/549088020.db2.gz GOXIVMWRAMRANO-JZXOWHBKSA-N 1 0 359.470 2.423 20 30 FEEDRO CCc1nc(CN(C(C)=O)[C@@H]2CC[N@H+](Cc3ccc(C#N)c(C)c3)C2)no1 ZINC000488437532 561389916 /nfs/dbraw/zinc/38/99/16/561389916.db2.gz DYXHJHTYCYNSIK-GOSISDBHSA-N 1 0 367.453 2.435 20 30 FEEDRO CC(C)(C)C(=O)NC[C@H]1CCC[N@H+](C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000247150856 549291558 /nfs/dbraw/zinc/29/15/58/549291558.db2.gz YNMKKMVGSXCYPG-QZTJIDSGSA-N 1 0 373.497 2.172 20 30 FEEDRO C=CCCCS(=O)(=O)NCc1ccccc1CN1CC[NH+](CC)CC1 ZINC000489114825 561403824 /nfs/dbraw/zinc/40/38/24/561403824.db2.gz JMEKPUOHYNVCOX-UHFFFAOYSA-N 1 0 365.543 2.210 20 30 FEEDRO Cc1oc(NC(=O)[C@H](C)N2CCC[C@@H](Cn3cncn3)C2)c(C#N)c1C ZINC000247576305 549361208 /nfs/dbraw/zinc/36/12/08/549361208.db2.gz HUZCNWMBOWIVHV-DZGCQCFKSA-N 1 0 356.430 2.099 20 30 FEEDRO COC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000248876326 549520380 /nfs/dbraw/zinc/52/03/80/549520380.db2.gz VZFPIJTTXDCSEJ-ZOBUZTSGSA-N 1 0 352.394 2.382 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCO[C@@]2(CCOC2)C1 ZINC000249029159 549540604 /nfs/dbraw/zinc/54/06/04/549540604.db2.gz SFDFNXAINTVZBF-QAPCUYQASA-N 1 0 350.484 2.143 20 30 FEEDRO C[C@H]([NH2+][C@H]1CCCC[C@H]1C(N)=O)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000249396057 549587822 /nfs/dbraw/zinc/58/78/22/549587822.db2.gz SWCFNCQDXMKXKF-XKQJLSEDSA-N 1 0 360.433 2.095 20 30 FEEDRO C=C(C)CN(CC)C(=O)[C@H](C)N(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000249552782 549604379 /nfs/dbraw/zinc/60/43/79/549604379.db2.gz IPHANNYXEZEVEJ-UGKGYDQZSA-N 1 0 373.541 2.368 20 30 FEEDRO C=CCOc1cccc(NC(=O)C(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)c1 ZINC000250230379 549640675 /nfs/dbraw/zinc/64/06/75/549640675.db2.gz IZFADYPCIWRGJU-JKSUJKDBSA-N 1 0 359.470 2.427 20 30 FEEDRO C=CC[C@@H](C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)c1ccccc1 ZINC000253232695 549680485 /nfs/dbraw/zinc/68/04/85/549680485.db2.gz GCDFETAMMBYGRK-MOPGFXCFSA-N 1 0 355.482 2.111 20 30 FEEDRO C[NH+]=C(NCc1cc(Cl)c2c(c1)OCCO2)N(C)Cc1ccon1 ZINC000261704545 549745285 /nfs/dbraw/zinc/74/52/85/549745285.db2.gz GMJCNJYJJZZVIU-UHFFFAOYSA-N 1 0 350.806 2.307 20 30 FEEDRO CC[NH+]=C(NC[C@H](C)c1c(C)noc1C)N1CCO[C@H](c2cnn(C)c2)C1 ZINC000261705451 549745297 /nfs/dbraw/zinc/74/52/97/549745297.db2.gz GRWDWNZQEORNER-GUYCJALGSA-N 1 0 374.489 2.167 20 30 FEEDRO C[NH+]=C(NCC(C)(C)c1cccs1)N1CCN(C[C@H]2CCOC2)CC1 ZINC000261814318 549757751 /nfs/dbraw/zinc/75/77/51/549757751.db2.gz SYKTZJBBSJSBGP-MRXNPFEDSA-N 1 0 364.559 2.255 20 30 FEEDRO CNC(=O)CC1CCN(C(NCc2coc(-c3ccccc3)n2)=[NH+]C)CC1 ZINC000261849467 549762536 /nfs/dbraw/zinc/76/25/36/549762536.db2.gz XVSHDMCUPFYKQF-UHFFFAOYSA-N 1 0 369.469 2.265 20 30 FEEDRO Cc1nnc(CNC(N[C@@H]2CCOc3ccccc32)=[NH+][C@@H]2C[C@H]2C)n1C ZINC000262025756 549781623 /nfs/dbraw/zinc/78/16/23/549781623.db2.gz ZSRBOFZLNAGREH-DAXOMENPSA-N 1 0 354.458 2.091 20 30 FEEDRO Cc1ccc(NC(=O)N(CCC#N)CCC[NH+](C)C)cc1N1CCNC1=O ZINC000490302709 561430470 /nfs/dbraw/zinc/43/04/70/561430470.db2.gz TVTWFNXFHXWXLD-UHFFFAOYSA-N 1 0 372.473 2.224 20 30 FEEDRO C[C@@H](NC(NCC(=O)N(C)C)=[NH+][C@H]1CCO[C@H](C)C1)c1cccs1 ZINC000262287775 549807415 /nfs/dbraw/zinc/80/74/15/549807415.db2.gz KOAXHCMHHIWEBK-MCIONIFRSA-N 1 0 352.504 2.000 20 30 FEEDRO C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C)N[C@@H]1CCN(c2cccc(OC)c2)C1 ZINC000262384117 549816044 /nfs/dbraw/zinc/81/60/44/549816044.db2.gz KZHDUFLSTUUAJF-ZWQIFLOQSA-N 1 0 372.513 2.252 20 30 FEEDRO CCc1cnc(CNC(NCC(=O)N2CCCc3ccccc32)=[NH+]C)s1 ZINC000262413184 549817688 /nfs/dbraw/zinc/81/76/88/549817688.db2.gz PQZXHJZGXVKYQB-UHFFFAOYSA-N 1 0 371.510 2.350 20 30 FEEDRO CS(=O)(=O)Cc1ccccc1CNC(=[NH2+])N[C@@H]1CCOc2ccccc21 ZINC000262424502 549818903 /nfs/dbraw/zinc/81/89/03/549818903.db2.gz RJNBIOPXTJCRRE-QGZVFWFLSA-N 1 0 373.478 2.159 20 30 FEEDRO C[NH+]=C(NCc1nn(-c2ccccc2)c2c1CCC2)N1CC[C@H](COC)C1 ZINC000262483842 549823602 /nfs/dbraw/zinc/82/36/02/549823602.db2.gz SCXIRLDHKXDFGN-INIZCTEOSA-N 1 0 367.497 2.405 20 30 FEEDRO CCNS(=O)(=O)c1ccc(CNC(=[NH2+])Nc2ccc3c(c2)CCC3)cc1 ZINC000262499475 549824464 /nfs/dbraw/zinc/82/44/64/549824464.db2.gz KMAWMLOVRKSVSZ-UHFFFAOYSA-N 1 0 372.494 2.400 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)NC1CCC(NC(C)=O)CC1)C(C)C ZINC000263779337 549935553 /nfs/dbraw/zinc/93/55/53/549935553.db2.gz VXMYINNWYHXOCN-CTWPCTMYSA-N 1 0 364.534 2.432 20 30 FEEDRO COc1ccc(NC(=[NH2+])NC[C@H](O)COc2cccc(C)c2)cc1OC ZINC000264074639 549975440 /nfs/dbraw/zinc/97/54/40/549975440.db2.gz FHOVCIFIWCOICX-HNNXBMFYSA-N 1 0 359.426 2.179 20 30 FEEDRO COc1ccc(CCNC(=[NH2+])NCc2cccc3c2OCO3)cc1OC ZINC000264074721 549975705 /nfs/dbraw/zinc/97/57/05/549975705.db2.gz FIWILEREAHAWMM-UHFFFAOYSA-N 1 0 357.410 2.080 20 30 FEEDRO COc1ccc(CCNC(=[NH2+])NCc2ccc(OC)c(OC)c2OC)cc1 ZINC000264104521 549979469 /nfs/dbraw/zinc/97/94/69/549979469.db2.gz PCXMCVVCELDACF-UHFFFAOYSA-N 1 0 373.453 2.368 20 30 FEEDRO CCCC[NH+]=C(NCc1ccc(C)cc1)NC[C@H]1CCS(=O)(=O)C1 ZINC000264117044 549980668 /nfs/dbraw/zinc/98/06/68/549980668.db2.gz QFENEAIJHGGWLB-QGZVFWFLSA-N 1 0 351.516 2.265 20 30 FEEDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000490975271 561441203 /nfs/dbraw/zinc/44/12/03/561441203.db2.gz UVHWUTGDWJPJEI-WBVHZDCISA-N 1 0 359.474 2.236 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000264291122 549993986 /nfs/dbraw/zinc/99/39/86/549993986.db2.gz WVXNWDNBBYTBFY-UHFFFAOYSA-N 1 0 361.446 2.481 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H](CO)Cc2ccc(F)cc2)CC1 ZINC000264408121 549995496 /nfs/dbraw/zinc/99/54/96/549995496.db2.gz QKDSVLMXUFVEPA-KRWDZBQOSA-N 1 0 363.477 2.316 20 30 FEEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N1CCO[C@H](C#N)C1 ZINC000264440898 549995756 /nfs/dbraw/zinc/99/57/56/549995756.db2.gz ZFQIPRRDPHDOPP-VQIMIIECSA-N 1 0 356.470 2.495 20 30 FEEDRO C#CCOc1cccc(NC(=O)N2CCC(C[NH+]3CCN(C)CC3)CC2)c1 ZINC000264572564 549998542 /nfs/dbraw/zinc/99/85/42/549998542.db2.gz VRZCZVKJRNYUKL-UHFFFAOYSA-N 1 0 370.497 2.190 20 30 FEEDRO C#CCOc1ccc(C[NH2+]Cc2cccc(C(=O)N3CCOCC3)c2)cc1 ZINC000264990712 550004973 /nfs/dbraw/zinc/00/49/73/550004973.db2.gz WYXWBWZNOJUPQO-UHFFFAOYSA-N 1 0 364.445 2.461 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@@H](COCCOC)C1)C(C)C ZINC000266650834 550022473 /nfs/dbraw/zinc/02/24/73/550022473.db2.gz HAPNEMDCFZCNOT-RTBURBONSA-N 1 0 367.534 2.380 20 30 FEEDRO CCN(CC)C(=[NH2+])NCCCc1nn(-c2ccc(C)cc2)c(N)c1C#N ZINC000267379643 550030502 /nfs/dbraw/zinc/03/05/02/550030502.db2.gz APWIVKIMBQOJGE-UHFFFAOYSA-N 1 0 353.474 2.224 20 30 FEEDRO COc1ccc(CCNC(=[NH2+])NC[C@@](C)(O)c2cccs2)cc1OC ZINC000267419182 550031132 /nfs/dbraw/zinc/03/11/32/550031132.db2.gz KCDXXFPCIGZGKS-GOSISDBHSA-N 1 0 363.483 2.120 20 30 FEEDRO CCOC(=O)N1CCC(NC(=[NH2+])NCc2nc(C(C)(C)C)cs2)CC1 ZINC000267474207 550032329 /nfs/dbraw/zinc/03/23/29/550032329.db2.gz YYKAFWUEJOGLJP-UHFFFAOYSA-N 1 0 367.519 2.466 20 30 FEEDRO C=C(C)COc1cccc(NC(=O)C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)c1 ZINC000268169842 550037642 /nfs/dbraw/zinc/03/76/42/550037642.db2.gz LOEXZXPGTARJAX-RDTXWAMCSA-N 1 0 357.454 2.179 20 30 FEEDRO COC(=O)C(C)(C)C[NH2+][C@H](C)C(=O)N(CCC#N)c1ccccc1OC ZINC000268341945 550052354 /nfs/dbraw/zinc/05/23/54/550052354.db2.gz PHSOLQAYHFFJBL-CQSZACIVSA-N 1 0 361.442 2.119 20 30 FEEDRO N#Cc1cnc(C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)c(Cl)c1 ZINC000491835418 561447751 /nfs/dbraw/zinc/44/77/51/561447751.db2.gz OWCCKIPWPQGHFO-HOTGVXAUSA-N 1 0 362.861 2.104 20 30 FEEDRO CCOc1ccnc(N2CCC[N@H+](Cc3ccc(OCC#N)cc3)CC2)n1 ZINC000268995142 550141871 /nfs/dbraw/zinc/14/18/71/550141871.db2.gz XIAXNTVKEFCRQZ-UHFFFAOYSA-N 1 0 367.453 2.490 20 30 FEEDRO COC(=O)CCCN(CC(=O)N(CCC#N)CCC#N)Cc1ccccc1 ZINC000269090982 550153607 /nfs/dbraw/zinc/15/36/07/550153607.db2.gz KOZSSMNHRWIWMI-UHFFFAOYSA-N 1 0 370.453 2.098 20 30 FEEDRO C[C@@H](CNC(=O)C(=O)Nc1ccc(C#N)cc1Cl)[N@@H+]1CCC[C@H](C)C1 ZINC000269108974 550156362 /nfs/dbraw/zinc/15/63/62/550156362.db2.gz PWEIKSVJHHOPDE-STQMWFEESA-N 1 0 362.861 2.387 20 30 FEEDRO C=CCNC(=O)c1ccc(N2CC[NH+](CCc3ccccc3)CC2)nc1 ZINC000492955348 561453754 /nfs/dbraw/zinc/45/37/54/561453754.db2.gz SEWRUGJYQXSSJL-UHFFFAOYSA-N 1 0 350.466 2.362 20 30 FEEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000270242524 550255629 /nfs/dbraw/zinc/25/56/29/550255629.db2.gz PHBSINKBTQBOQJ-KRWDZBQOSA-N 1 0 370.497 2.399 20 30 FEEDRO C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)Nc3ccc(C#N)cc3Cl)C2)CC1 ZINC000270254153 550256973 /nfs/dbraw/zinc/25/69/73/550256973.db2.gz QIYRRFBNNSJJQW-OAHLLOKOSA-N 1 0 374.872 2.340 20 30 FEEDRO C[NH+](C)CCCC1CCN(C(=O)C(=O)Nc2cccc(OCC#N)c2)CC1 ZINC000270968472 550327019 /nfs/dbraw/zinc/32/70/19/550327019.db2.gz QKYQFZUKLRFVDX-UHFFFAOYSA-N 1 0 372.469 2.108 20 30 FEEDRO CO[C@@H](C)c1noc(CN2CCCN(c3nc(C)ccc3C#N)CC2)n1 ZINC000271008750 550331155 /nfs/dbraw/zinc/33/11/55/550331155.db2.gz XFXCPCDYPTUSDD-AWEZNQCLSA-N 1 0 356.430 2.064 20 30 FEEDRO N#Cc1cccc(COc2cccc(C[N@H+]3CC[C@@H](NC(N)=O)C3)c2)c1 ZINC000271415895 550373999 /nfs/dbraw/zinc/37/39/99/550373999.db2.gz YLNVCABCNHKDKS-GOSISDBHSA-N 1 0 350.422 2.380 20 30 FEEDRO C#CC[C@@H]([NH2+]CC(=O)NCCCN1CCCCCC1=O)c1ccccc1 ZINC000271685942 550395233 /nfs/dbraw/zinc/39/52/33/550395233.db2.gz JICFFBMCIIXSNN-LJQANCHMSA-N 1 0 355.482 2.250 20 30 FEEDRO C#CCC[NH+]1CCN(C[C@@H](O)CO[C@H](C)c2ccc(Cl)cc2)CC1 ZINC000272004602 550415898 /nfs/dbraw/zinc/41/58/98/550415898.db2.gz INOWDCXHOLROAN-VQIMIIECSA-N 1 0 350.890 2.419 20 30 FEEDRO C=CCN(CCc1ccco1)C(=O)NC[C@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000272288099 550434817 /nfs/dbraw/zinc/43/48/17/550434817.db2.gz COSYPWZUNFWHOM-LJQANCHMSA-N 1 0 362.518 2.292 20 30 FEEDRO [NH2+]=C(NC[C@H]1CC(=O)N(C2CC2)C1)Nc1ccc(OC(F)(F)F)cc1 ZINC000272373766 550442168 /nfs/dbraw/zinc/44/21/68/550442168.db2.gz HSNYSQASTMTZNG-SNVBAGLBSA-N 1 0 356.348 2.323 20 30 FEEDRO COc1cc(/C=C/C(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)ccc1OCC#N ZINC000272657941 550463454 /nfs/dbraw/zinc/46/34/54/550463454.db2.gz GHYPSRRDNSIMMC-ZKKXHLJNSA-N 1 0 355.438 2.377 20 30 FEEDRO CN(C(=[NH2+])NC[C@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1)C1CC1 ZINC000272885625 550475253 /nfs/dbraw/zinc/47/52/53/550475253.db2.gz AIUGTDIOCRTTHI-MRXNPFEDSA-N 1 0 370.419 2.488 20 30 FEEDRO C=CCc1ccc(OC[C@@H](O)C[NH2+][C@@H](CCO)c2ccco2)c(OC)c1 ZINC000274400355 550536084 /nfs/dbraw/zinc/53/60/84/550536084.db2.gz JOYSWAVXPOHPFG-IRXDYDNUSA-N 1 0 361.438 2.470 20 30 FEEDRO CN(C)C1(C#N)CCN(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000275009370 550570134 /nfs/dbraw/zinc/57/01/34/550570134.db2.gz DWZXJZWESUEBGL-QZTJIDSGSA-N 1 0 355.486 2.061 20 30 FEEDRO COCCCN(CCO)CC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000275424022 550572201 /nfs/dbraw/zinc/57/22/01/550572201.db2.gz IAKWYFMKHHQPGM-OAHLLOKOSA-N 1 0 365.499 2.350 20 30 FEEDRO C=CCN(C(=O)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1)C1CC1 ZINC000276135149 550577074 /nfs/dbraw/zinc/57/70/74/550577074.db2.gz QDMTXYUOGAQWDS-UHFFFAOYSA-N 1 0 370.497 2.333 20 30 FEEDRO C=CCC[N@@H+](C)CCC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000276368766 550578236 /nfs/dbraw/zinc/57/82/36/550578236.db2.gz GSQQXJXSUNGYAZ-UHFFFAOYSA-N 1 0 365.499 2.308 20 30 FEEDRO COCCSCCCO[NH+]=C(N)c1ccc(N2CCC(O)CC2)cc1 ZINC000278311042 550771609 /nfs/dbraw/zinc/77/16/09/550771609.db2.gz UGEDQPHBCUGERV-UHFFFAOYSA-N 1 0 367.515 2.054 20 30 FEEDRO CC[C@H]([NH2+]C[C@H](O)CS(=O)(=O)c1cccs1)c1ccc(C#N)cc1 ZINC000278367422 550777928 /nfs/dbraw/zinc/77/79/28/550777928.db2.gz BWVHSCWTJHQWGQ-HOTGVXAUSA-N 1 0 364.492 2.495 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H](c2cnn(C)c2)C(F)(F)F)CC1 ZINC000278470157 550790036 /nfs/dbraw/zinc/79/00/36/550790036.db2.gz ZEDNYVAJWRMHHZ-CQSZACIVSA-N 1 0 359.396 2.363 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)NC[C@H](O)c2cc(F)cc(Cl)c2)CC1 ZINC000278470924 550790157 /nfs/dbraw/zinc/79/01/57/550790157.db2.gz QJUIMHWRSRYYSM-INIZCTEOSA-N 1 0 355.841 2.462 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(CO)c(F)c1 ZINC000279263804 550871208 /nfs/dbraw/zinc/87/12/08/550871208.db2.gz UINCAEFVCWXBOS-UHFFFAOYSA-N 1 0 355.413 2.394 20 30 FEEDRO C[C@H](C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1)N(C)CC(F)(F)F ZINC000279734759 550922815 /nfs/dbraw/zinc/92/28/15/550922815.db2.gz WLZIHOHZTKQLLO-CQSZACIVSA-N 1 0 370.419 2.331 20 30 FEEDRO C=CCc1ccc(OCC(=O)N2C[C@@H](SC)[C@H]([NH+](C)C)C2)c(OC)c1 ZINC000495551203 561489614 /nfs/dbraw/zinc/48/96/14/561489614.db2.gz UQLJNWILUPAPIS-CRAIPNDOSA-N 1 0 364.511 2.307 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cc([C@H]3CCCOC3)nn2C)CC1 ZINC000280212944 550972179 /nfs/dbraw/zinc/97/21/79/550972179.db2.gz QHMNTHNIMIZJOB-HNNXBMFYSA-N 1 0 361.490 2.476 20 30 FEEDRO CS[C@@H]1CN(C(=O)[C@@H](Oc2ccccc2C#N)C(C)C)C[C@@H]1[NH+](C)C ZINC000495638762 561490071 /nfs/dbraw/zinc/49/00/71/561490071.db2.gz SSVJFMFXKZHMMV-JQHSSLGASA-N 1 0 361.511 2.466 20 30 FEEDRO Cc1oc(C#N)cc1C(=O)NCc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000280619746 551014102 /nfs/dbraw/zinc/01/41/02/551014102.db2.gz RKWSEOKADIUETO-UHFFFAOYSA-N 1 0 352.438 2.137 20 30 FEEDRO C=CCN1CC[C@H](N(C)CC(=O)Nc2ccc(N3CCCCC3)cc2)C1=O ZINC000281219707 551075110 /nfs/dbraw/zinc/07/51/10/551075110.db2.gz DSLXXHWMZONTAL-IBGZPJMESA-N 1 0 370.497 2.334 20 30 FEEDRO C=CCN1CC[C@@H]([N@@H+](C)Cc2cc(C)c(OCC(=O)OC)c(C)c2)C1=O ZINC000281227950 551076076 /nfs/dbraw/zinc/07/60/76/551076076.db2.gz KVOVZSWXGFLHRL-QGZVFWFLSA-N 1 0 360.454 2.074 20 30 FEEDRO COc1ccc(C[N@@H+]2CC[C@@H]3NC(=O)OC[C@H]3C2)cc1OCCCC#N ZINC000281241918 551076920 /nfs/dbraw/zinc/07/69/20/551076920.db2.gz LWIZJFWJKMIFNG-CVEARBPZSA-N 1 0 359.426 2.308 20 30 FEEDRO N#Cc1ccc(OCC[NH+]2CCC(CNC(=O)C(F)(F)F)CC2)cc1 ZINC000281391099 551091253 /nfs/dbraw/zinc/09/12/53/551091253.db2.gz PURAQKXKPVITQP-UHFFFAOYSA-N 1 0 355.360 2.328 20 30 FEEDRO COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@H](C)N2CCOc2ccc(C#N)cc2OC)O1 ZINC000282398045 551223035 /nfs/dbraw/zinc/22/30/35/551223035.db2.gz HKJPBIFGVBVXRO-YBKUAAOGSA-N 1 0 374.437 2.129 20 30 FEEDRO CN(C[C@@H]1CC[N@H+](C)C1)S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000282784149 551270023 /nfs/dbraw/zinc/27/00/23/551270023.db2.gz XGGRNPUOVQOOLX-LLVKDONJSA-N 1 0 361.389 2.149 20 30 FEEDRO Cc1cc(CO)oc1C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000282892002 551282391 /nfs/dbraw/zinc/28/23/91/551282391.db2.gz GFCQBRJPJCKOBT-UHFFFAOYSA-N 1 0 353.422 2.300 20 30 FEEDRO C[C@@H](CC#N)N(C)S(=O)(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000283124817 551315591 /nfs/dbraw/zinc/31/55/91/551315591.db2.gz ZGENXXJWCZAPJB-GJZGRUSLSA-N 1 0 352.504 2.184 20 30 FEEDRO C#Cc1cc(F)c(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)c(F)c1 ZINC000283208204 551329503 /nfs/dbraw/zinc/32/95/03/551329503.db2.gz IDWUQPFMQZCRTR-AWEZNQCLSA-N 1 0 363.408 2.121 20 30 FEEDRO CC(C)(C#N)c1ccccc1C[NH+]1CCC(n2cnc(C(N)=O)c2N)CC1 ZINC000283943992 551454546 /nfs/dbraw/zinc/45/45/46/551454546.db2.gz HHGFTXSTMJBANQ-UHFFFAOYSA-N 1 0 366.469 2.202 20 30 FEEDRO CN1CCO[C@H]2CCN(Cc3cn(CCC#N)nc3-c3ccccc3)C[C@@H]21 ZINC000284233153 551506582 /nfs/dbraw/zinc/50/65/82/551506582.db2.gz DPKYMUQDNHAIDR-PMACEKPBSA-N 1 0 365.481 2.369 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@@H](c2ccccc2)C(C)C)CC1 ZINC000284369056 551534475 /nfs/dbraw/zinc/53/44/75/551534475.db2.gz XIFQABICGHWMPE-LJQANCHMSA-N 1 0 357.498 2.309 20 30 FEEDRO CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 ZINC000284412901 551543852 /nfs/dbraw/zinc/54/38/52/551543852.db2.gz XJUMOGKDKLYUJG-WDSOQIARSA-N 1 0 364.440 2.354 20 30 FEEDRO C=CCCN(C)C(=O)C(=O)NCc1ccc(OCC[NH+](CC)CC)cc1 ZINC000285166240 551713840 /nfs/dbraw/zinc/71/38/40/551713840.db2.gz XYUPNOTWIQLPOT-UHFFFAOYSA-N 1 0 361.486 2.058 20 30 FEEDRO CN(CCC[N@H+](C)C[C@H](O)COc1ccc(C#N)cc1)Cc1ccco1 ZINC000285522086 551769458 /nfs/dbraw/zinc/76/94/58/551769458.db2.gz DYQLFFUQAZXYCP-SFHVURJKSA-N 1 0 357.454 2.345 20 30 FEEDRO CC(C)[C@H](C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1)N1CCOCC1 ZINC000285676803 551793582 /nfs/dbraw/zinc/79/35/82/551793582.db2.gz NSAJPWKBLYAIKZ-NRFANRHFSA-N 1 0 356.514 2.473 20 30 FEEDRO CCC[C@]1([NH2+]CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CCOC1 ZINC000285695112 551796559 /nfs/dbraw/zinc/79/65/59/551796559.db2.gz VOMTVSHNDYQVON-IBGZPJMESA-N 1 0 353.426 2.231 20 30 FEEDRO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1C[C@@H](N2CCOCC2)C[C@H]1C ZINC000285771416 551808154 /nfs/dbraw/zinc/80/81/54/551808154.db2.gz DMBCBSOFXNYWJR-GGPKGHCWSA-N 1 0 370.497 2.117 20 30 FEEDRO C[NH+](C)CCOc1cc(CNC(=O)c2cc(C#N)ccc2Cl)ccn1 ZINC000285902123 551825348 /nfs/dbraw/zinc/82/53/48/551825348.db2.gz VCCHQXDHNGASOJ-UHFFFAOYSA-N 1 0 358.829 2.477 20 30 FEEDRO C=CCOc1ccccc1CNC(=O)C(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000285934363 551828967 /nfs/dbraw/zinc/82/89/67/551828967.db2.gz ONXJMUYGFOWASA-KRWDZBQOSA-N 1 0 373.497 2.104 20 30 FEEDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)C1 ZINC000286034706 551841037 /nfs/dbraw/zinc/84/10/37/551841037.db2.gz BGLRHMWJEVCXPB-ZIFCJYIRSA-N 1 0 370.472 2.466 20 30 FEEDRO N#Cc1ccnc(N2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)c1 ZINC000286095929 551847951 /nfs/dbraw/zinc/84/79/51/551847951.db2.gz FBIMMLLGBDTNAJ-LJQANCHMSA-N 1 0 362.481 2.387 20 30 FEEDRO COCCOCCOCCC[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000286111863 551850001 /nfs/dbraw/zinc/85/00/01/551850001.db2.gz NCUCKXXVZUHHPN-UHFFFAOYSA-N 1 0 361.486 2.186 20 30 FEEDRO C=CCC[C@@H]([NH2+]CCS(=O)(=O)NC[C@H]1CCCCO1)c1ccco1 ZINC000286155545 551855410 /nfs/dbraw/zinc/85/54/10/551855410.db2.gz PQOXUTDCRMOUMW-HZPDHXFCSA-N 1 0 356.488 2.365 20 30 FEEDRO C[C@@H]1C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)C[C@H]1C(N)=O ZINC000286184660 551858761 /nfs/dbraw/zinc/85/87/61/551858761.db2.gz NEZPJNFCEDEHLE-YWPYICTPSA-N 1 0 374.510 2.126 20 30 FEEDRO CCOC[C@@H]([NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1)C(C)C ZINC000286329453 551875155 /nfs/dbraw/zinc/87/51/55/551875155.db2.gz WYUZPZFUUMNFPB-QGZVFWFLSA-N 1 0 355.442 2.333 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N(CCc2ccccc2)CC(C)C)CC1 ZINC000286345493 551876723 /nfs/dbraw/zinc/87/67/23/551876723.db2.gz BFLRABMEZIXZBM-UHFFFAOYSA-N 1 0 371.525 2.480 20 30 FEEDRO COCC[NH+](CCOC)C1CCN(C(=O)/C=C/c2cccc(C#N)c2)CC1 ZINC000286358997 551878162 /nfs/dbraw/zinc/87/81/62/551878162.db2.gz SUTPJOISDYYLMK-VOTSOKGWSA-N 1 0 371.481 2.157 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(CC)[C@H](C)c2cccnc2)CC1 ZINC000286483165 551891212 /nfs/dbraw/zinc/89/12/12/551891212.db2.gz JJEDOXQKHSLIRF-MRXNPFEDSA-N 1 0 358.486 2.148 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2C[C@@H](C)[C@@H]2c2ccccc2)CC1 ZINC000286627004 551908021 /nfs/dbraw/zinc/90/80/21/551908021.db2.gz MEKWKAJFEVEKDS-VQIMIIECSA-N 1 0 355.482 2.363 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N(C)Cc2c(F)cccc2Cl)CC1 ZINC000286629647 551908207 /nfs/dbraw/zinc/90/82/07/551908207.db2.gz MHKINNQLEWDWAY-UHFFFAOYSA-N 1 0 367.852 2.204 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N2CCC(Cc3ccccc3)CC2)CC1 ZINC000286635132 551908815 /nfs/dbraw/zinc/90/88/15/551908815.db2.gz MPKSVTWENLTWQH-UHFFFAOYSA-N 1 0 369.509 2.234 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)[C@H](C)c2ccccc2)CC1 ZINC000286661594 551912002 /nfs/dbraw/zinc/91/20/02/551912002.db2.gz NXCGVWMKDATEIR-IRXDYDNUSA-N 1 0 357.498 2.452 20 30 FEEDRO C=CCOc1ccc(CNC(=O)N[C@@H](C)CC[NH+]2CCN(C)CC2)cc1 ZINC000286684066 551914367 /nfs/dbraw/zinc/91/43/67/551914367.db2.gz FTKSEYHLKBLGGC-KRWDZBQOSA-N 1 0 360.502 2.077 20 30 FEEDRO C=CCN(CC=C)C(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000286716060 551917889 /nfs/dbraw/zinc/91/78/89/551917889.db2.gz PHXRNAOXLCCGFX-HKUYNNGSSA-N 1 0 355.482 2.356 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[C@H](Cc3ccccc3)C2)CC1 ZINC000286735235 551920384 /nfs/dbraw/zinc/92/03/84/551920384.db2.gz RTPXBSUUZRYPEA-QUCCMNQESA-N 1 0 369.509 2.281 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)NCc2oc3ccccc3c2C)CC1 ZINC000286735287 551920408 /nfs/dbraw/zinc/92/04/08/551920408.db2.gz RUNGNNHAMLDCNE-UHFFFAOYSA-N 1 0 355.438 2.124 20 30 FEEDRO CCC[C@@H]1CN(C(=O)C(=O)NCCCCC#N)CCN1Cc1ccccc1 ZINC000286816893 551929273 /nfs/dbraw/zinc/92/92/73/551929273.db2.gz WNZGGJWZPULWES-LJQANCHMSA-N 1 0 370.497 2.310 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCCC[C@H]2c2cccn2C)CC1 ZINC000286836222 551931601 /nfs/dbraw/zinc/93/16/01/551931601.db2.gz XVHVOCLFKQNYLS-IBGZPJMESA-N 1 0 372.513 2.235 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CC[C@H](c3ccccc3)C2)CC1 ZINC000286842994 551932492 /nfs/dbraw/zinc/93/24/92/551932492.db2.gz YHIOMIZCBBJNQC-SFHVURJKSA-N 1 0 355.482 2.159 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N(Cc2ccccc2)CC(F)F)CC1 ZINC000286857667 551933908 /nfs/dbraw/zinc/93/39/08/551933908.db2.gz ZINAQKCRICKZGH-UHFFFAOYSA-N 1 0 365.424 2.047 20 30 FEEDRO CN(CCN1CC[NH+](Cc2ccccc2)CC1)C(=O)NCCCCC#N ZINC000287422801 552002109 /nfs/dbraw/zinc/00/21/09/552002109.db2.gz ODHZEJBWSYQZKZ-UHFFFAOYSA-N 1 0 357.502 2.139 20 30 FEEDRO CN(CCC[NH+]1CCCC1)C(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC000287625697 552027208 /nfs/dbraw/zinc/02/72/08/552027208.db2.gz GVCFEJSKCSVTLV-KRWDZBQOSA-N 1 0 358.461 2.468 20 30 FEEDRO CC(C)(C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1)c1cc(F)cc(C#N)c1 ZINC000287723338 552038633 /nfs/dbraw/zinc/03/86/33/552038633.db2.gz YBUSOUOSWBZEIM-HNNXBMFYSA-N 1 0 359.445 2.156 20 30 FEEDRO C=CCCCN(C)C(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000287824099 552051567 /nfs/dbraw/zinc/05/15/67/552051567.db2.gz BTRPIRZFRMRKJU-PKOBYXMFSA-N 1 0 357.498 2.438 20 30 FEEDRO COc1cc(OC)c2ncc(C#N)c(NC[C@@H](C)N3CC[NH+](C)CC3)c2c1 ZINC000287915376 552062523 /nfs/dbraw/zinc/06/25/23/552062523.db2.gz OQVOHZMWHPACOX-CQSZACIVSA-N 1 0 369.469 2.171 20 30 FEEDRO C[NH+](C)C[C@@H]1CCCN1S(=O)(=O)c1cccc(Br)c1C#N ZINC000288109230 552092997 /nfs/dbraw/zinc/09/29/97/552092997.db2.gz LLFRSQOJDHMDLT-NSHDSACASA-N 1 0 372.288 2.035 20 30 FEEDRO Cc1nc(C#N)c(N2CCC(C(=O)N3C[C@@H]([NH+]4CCCC4)C[C@@H]3C)CC2)o1 ZINC000288301723 552128781 /nfs/dbraw/zinc/12/87/81/552128781.db2.gz IAYSUFRMOIADGY-YOEHRIQHSA-N 1 0 371.485 2.156 20 30 FEEDRO N#Cc1ccc(N2CC[C@@H](C(=O)N3CC[NH+](C4CCC4)CC3)C2)c(F)c1 ZINC000288373867 552142481 /nfs/dbraw/zinc/14/24/81/552142481.db2.gz JYIQHVPUUGVZMP-MRXNPFEDSA-N 1 0 356.445 2.220 20 30 FEEDRO CC(C)(C)OC(=O)N1CCN2C(NC[C@H]3COc4ccccc43)=[NH+]C[C@H]2C1 ZINC000288778762 552211111 /nfs/dbraw/zinc/21/11/11/552211111.db2.gz WCFXEAQIQNJGLP-GJZGRUSLSA-N 1 0 372.469 2.043 20 30 FEEDRO CCCC[N@H+](C)C[C@H](C)NC(=O)C(=O)Nc1cc(C#N)ccc1Cl ZINC000288805330 552215653 /nfs/dbraw/zinc/21/56/53/552215653.db2.gz LYNZLFHEUQCHLW-LBPRGKRZSA-N 1 0 350.850 2.387 20 30 FEEDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)Cc1noc(C)c1C#N ZINC000500020554 561564098 /nfs/dbraw/zinc/56/40/98/561564098.db2.gz RTWDTFPVNBWHBN-KRWDZBQOSA-N 1 0 367.453 2.305 20 30 FEEDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)C(=O)Nc1ccc(C#N)cc1Cl ZINC000289120925 552269571 /nfs/dbraw/zinc/26/95/71/552269571.db2.gz QHPUMIQOWMXKEV-JSGCOSHPSA-N 1 0 360.845 2.235 20 30 FEEDRO N#Cc1cncc(S(=O)(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000289371102 552309508 /nfs/dbraw/zinc/30/95/08/552309508.db2.gz BKSOWLYMBFWOOQ-UHFFFAOYSA-N 1 0 356.451 2.028 20 30 FEEDRO CC(C)(COCc1ccccc1)[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000289379995 552311537 /nfs/dbraw/zinc/31/15/37/552311537.db2.gz JBQDAKBGFDNCCM-UHFFFAOYSA-N 1 0 373.478 2.312 20 30 FEEDRO O=C(C[NH2+][C@H](CO)C1CCCC1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000289718543 552367392 /nfs/dbraw/zinc/36/73/92/552367392.db2.gz ZBBDTOPGVSZLFT-QGZVFWFLSA-N 1 0 368.399 2.314 20 30 FEEDRO CC[NH+](CC)Cc1cccc(CNS(=O)(=O)c2cncc(C#N)c2)c1 ZINC000289829964 552385359 /nfs/dbraw/zinc/38/53/59/552385359.db2.gz OOQLSCXGWLXBGO-UHFFFAOYSA-N 1 0 358.467 2.274 20 30 FEEDRO Cc1oc(C#N)cc1-c1nc(-c2cc(N3CC[NH+](C)CC3)ccn2)no1 ZINC000290209211 552442820 /nfs/dbraw/zinc/44/28/20/552442820.db2.gz YGSVUDTUSUONIU-UHFFFAOYSA-N 1 0 350.382 2.324 20 30 FEEDRO C[NH+](C)C1(CNC(=O)C(=O)Nc2ccc(C#N)c(F)c2)CCCCCC1 ZINC000290396535 552472765 /nfs/dbraw/zinc/47/27/65/552472765.db2.gz HJUXWIWTOVMBBF-UHFFFAOYSA-N 1 0 360.433 2.407 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H]1CCCc2ccc(S(N)(=O)=O)cc21 ZINC000290808069 552541799 /nfs/dbraw/zinc/54/17/99/552541799.db2.gz WBANVEHXDDTUHO-WBAXXEDZSA-N 1 0 350.484 2.282 20 30 FEEDRO C[C@H]1CN(S(=O)(=O)c2c(F)cc(C#N)cc2F)CC[N@@H+](C2CCC2)C1 ZINC000291839888 552666960 /nfs/dbraw/zinc/66/69/60/552666960.db2.gz GRCPGEXETOJZMD-GFCCVEGCSA-N 1 0 369.437 2.331 20 30 FEEDRO COc1ccc([C@@H](O)C2CC[NH+]([C@@H](C)C(=O)N(C)CCC#N)CC2)cc1 ZINC000291906980 552673744 /nfs/dbraw/zinc/67/37/44/552673744.db2.gz ROPXQEKRNXMBDM-HNAYVOBHSA-N 1 0 359.470 2.201 20 30 FEEDRO C[N@@H+]1CC[C@@]2(CCN(CCC(=O)Nc3sc4c(c3C#N)CCC4)C2)C1 ZINC000292094845 552693265 /nfs/dbraw/zinc/69/32/65/552693265.db2.gz HFRQRKFMUAGDJL-LJQANCHMSA-N 1 0 358.511 2.465 20 30 FEEDRO Cc1cccc(OC[C@H](O)C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)c1 ZINC000292120141 552695860 /nfs/dbraw/zinc/69/58/60/552695860.db2.gz HYMFROAUDQCIIK-MJGOQNOKSA-N 1 0 353.422 2.155 20 30 FEEDRO Cn1ncc(C(=O)C(C(=S)NC2CCC2)[n+]2ccc(C(C)(C)C)cc2)n1 ZINC000292379820 552721379 /nfs/dbraw/zinc/72/13/79/552721379.db2.gz UHOMDZDZALVQMA-UHFFFAOYSA-O 1 0 372.518 2.481 20 30 FEEDRO C[C@H]1Oc2ccc(C(=O)C3CC[NH+](CCOCCC#N)CC3)cc2NC1=O ZINC000292689280 552749533 /nfs/dbraw/zinc/74/95/33/552749533.db2.gz CKJLNUXOCCASQX-CQSZACIVSA-N 1 0 371.437 2.231 20 30 FEEDRO N#Cc1ccc(N2CCC[C@H]([NH2+]Cc3cnn(CC(F)F)c3)C2=O)cc1 ZINC000292815137 552760952 /nfs/dbraw/zinc/76/09/52/552760952.db2.gz WPZTVUZYZMDOOS-INIZCTEOSA-N 1 0 359.380 2.305 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc([C@H]3CCOC3)cc2)CC1 ZINC000293490668 552828999 /nfs/dbraw/zinc/82/89/99/552828999.db2.gz TWYHNGOAEYFFIP-KRWDZBQOSA-N 1 0 371.481 2.286 20 30 FEEDRO C[N@@H+]1CC[C@]2(CCN(C(=O)CCCC(=O)Nc3ccccc3C#N)C2)C1 ZINC000293616016 552840626 /nfs/dbraw/zinc/84/06/26/552840626.db2.gz DCEQNRRDHQTCTK-FQEVSTJZSA-N 1 0 354.454 2.221 20 30 FEEDRO C[NH+](C)Cc1ccsc1C(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000293720081 552850250 /nfs/dbraw/zinc/85/02/50/552850250.db2.gz MMTWBGGFCCKGOB-HNNXBMFYSA-N 1 0 356.451 2.370 20 30 FEEDRO CN(C)c1cc(C#N)cc(C(=O)NCC2([NH+]3CCCCC3)CCOCC2)c1 ZINC000293847552 552862034 /nfs/dbraw/zinc/86/20/34/552862034.db2.gz TZSONXOTLYSHSH-UHFFFAOYSA-N 1 0 370.497 2.389 20 30 FEEDRO CCOc1ccc(C#N)cc1NC(=O)N(C)CCC[N@H+](C)CCN(C)C ZINC000294292170 552894665 /nfs/dbraw/zinc/89/46/65/552894665.db2.gz SVMHNAAECORGJJ-UHFFFAOYSA-N 1 0 361.490 2.304 20 30 FEEDRO C#CCNC(=O)CC[NH2+]C1(c2cccc(OC(F)(F)F)c2)CCOCC1 ZINC000294330966 552897755 /nfs/dbraw/zinc/89/77/55/552897755.db2.gz YNBIOYLTTHPFNA-UHFFFAOYSA-N 1 0 370.371 2.320 20 30 FEEDRO C#CCO[C@@H](C)C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCC2)cc1 ZINC000294482679 552909534 /nfs/dbraw/zinc/90/95/34/552909534.db2.gz MVHPKTMLBGMUJR-INIZCTEOSA-N 1 0 357.454 2.478 20 30 FEEDRO C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CCC[C@@H](OC(=O)N(C)C)C1 ZINC000295717610 553049427 /nfs/dbraw/zinc/04/94/27/553049427.db2.gz VBVSFRAADPIEQT-SJLPKXTDSA-N 1 0 372.469 2.484 20 30 FEEDRO C=CCOc1ccc(CC(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000296113116 553106786 /nfs/dbraw/zinc/10/67/86/553106786.db2.gz IISLEKXYCHRDMF-IBGZPJMESA-N 1 0 358.482 2.365 20 30 FEEDRO CCN(C)C(=O)[C@@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O)C(C)C ZINC000296191018 553119806 /nfs/dbraw/zinc/11/98/06/553119806.db2.gz IXQGLWUYNFFZCY-ROUUACIJSA-N 1 0 356.470 2.146 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000296956307 553234948 /nfs/dbraw/zinc/23/49/48/553234948.db2.gz QPRJYAAETNZQDS-UHFFFAOYSA-N 1 0 356.470 2.002 20 30 FEEDRO Cc1cc(NCC[NH2+]C[C@H](O)COc2ccccc2C#N)nc(C(C)C)n1 ZINC000600762245 553312631 /nfs/dbraw/zinc/31/26/31/553312631.db2.gz PSRMMZFNCIXXKN-KRWDZBQOSA-N 1 0 369.469 2.222 20 30 FEEDRO C[NH+](C)CCNC(=O)c1cccc(CNc2cc(C#N)nc(C3CC3)n2)c1 ZINC000601110221 553348358 /nfs/dbraw/zinc/34/83/58/553348358.db2.gz AAMGWCKZBBQUPY-UHFFFAOYSA-N 1 0 364.453 2.129 20 30 FEEDRO C[C@H](C#N)N(C)C(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1c1cnn(C)c1 ZINC000297929443 553358738 /nfs/dbraw/zinc/35/87/38/553358738.db2.gz SAUKKYPEJLQHGQ-LZQZEXGQSA-N 1 0 351.454 2.006 20 30 FEEDRO CN(CCC#N)C(=O)CC[N@H+](C)C[C@H](O)c1cccc(Br)c1 ZINC000298083316 553381796 /nfs/dbraw/zinc/38/17/96/553381796.db2.gz HQSIWXPHZSHERX-HNNXBMFYSA-N 1 0 368.275 2.176 20 30 FEEDRO C=C(C)C[C@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCC[NH+](C)C ZINC000298250781 553403944 /nfs/dbraw/zinc/40/39/44/553403944.db2.gz DOPOLABGGSVIGJ-QFBILLFUSA-N 1 0 357.498 2.220 20 30 FEEDRO CO[C@H]1COC[C@@H]1[NH2+]CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 ZINC000298419257 553423168 /nfs/dbraw/zinc/42/31/68/553423168.db2.gz FWGGOMUXXWWCKB-CQDKDKBSSA-N 1 0 363.483 2.077 20 30 FEEDRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000298593028 553446095 /nfs/dbraw/zinc/44/60/95/553446095.db2.gz ZAYCFEDABSOWEU-OAHLLOKOSA-N 1 0 356.470 2.417 20 30 FEEDRO C=CCC(CC=C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCC[NH+](C)C ZINC000298669130 553456554 /nfs/dbraw/zinc/45/65/54/553456554.db2.gz XJASNGOYUJZBMT-HXUWFJFHSA-N 1 0 369.509 2.386 20 30 FEEDRO C[C@@H](C[S@](C)=O)[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000299064643 553510394 /nfs/dbraw/zinc/51/03/94/553510394.db2.gz SQEMJKQRWVUDMP-RULNZOCKSA-N 1 0 353.513 2.136 20 30 FEEDRO N#Cc1c2c(sc1NC(=O)CC[NH2+][C@@H]1CCCC[C@H]1C(N)=O)CCC2 ZINC000299235330 553534617 /nfs/dbraw/zinc/53/46/17/553534617.db2.gz IUSKWUZUCOPOQU-TZMCWYRMSA-N 1 0 360.483 2.071 20 30 FEEDRO N#Cc1ccc(NC(=O)CC[N@@H+]2CC[C@@H](N3CCCC3=O)C2)cc1Cl ZINC000299525073 553575838 /nfs/dbraw/zinc/57/58/38/553575838.db2.gz DDUWRJSNGYTHDG-OAHLLOKOSA-N 1 0 360.845 2.237 20 30 FEEDRO CCC[C@@H]([NH2+]C(C)C)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000504335908 561656469 /nfs/dbraw/zinc/65/64/69/561656469.db2.gz HYANJLHWHCGTSD-QZTJIDSGSA-N 1 0 356.470 2.337 20 30 FEEDRO C[N@H+](Cc1ccccc1)C1CN(C[C@@H](O)COc2ccc(CC#N)cc2)C1 ZINC000504657653 561660718 /nfs/dbraw/zinc/66/07/18/561660718.db2.gz HBLMGTUAQTULPL-OAQYLSRUSA-N 1 0 365.477 2.309 20 30 FEEDRO C[C@@H](CNc1ccc(S(N)(=O)=O)cc1C#N)[N@H+](C)Cc1ccccc1 ZINC000301393575 553647760 /nfs/dbraw/zinc/64/77/60/553647760.db2.gz JMHLAEHXNZFEJD-AWEZNQCLSA-N 1 0 358.467 2.138 20 30 FEEDRO [NH2+]=C(NCC[S@@](=O)Cc1ccccc1)N[C@H]1CCOc2ccccc21 ZINC000304756562 553747758 /nfs/dbraw/zinc/74/77/58/553747758.db2.gz NUCSJOJBTRJKPF-SSOJOUAXSA-N 1 0 357.479 2.363 20 30 FEEDRO CC(C)OCCCCNC1=[NH+]C[C@H]2CN(C(=O)OC(C)(C)C)CCN12 ZINC000305819743 553748256 /nfs/dbraw/zinc/74/82/56/553748256.db2.gz OCSYYZAJEBCONS-HNNXBMFYSA-N 1 0 354.495 2.072 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC000328609475 553795913 /nfs/dbraw/zinc/79/59/13/553795913.db2.gz MTZYILOXVBPPTO-RYRKJORJSA-N 1 0 351.491 2.067 20 30 FEEDRO C[C@H](NC(=O)C[NH2+][C@H]1CCCC12CCOCC2)C(=O)N1CCCCC1 ZINC000328660128 553803543 /nfs/dbraw/zinc/80/35/43/553803543.db2.gz UWFDDAXWZACHMB-HOTGVXAUSA-N 1 0 351.491 2.283 20 30 FEEDRO CC(C)c1nnc(CNC(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)s1 ZINC000328679455 553806155 /nfs/dbraw/zinc/80/61/55/553806155.db2.gz UBYPZTXMWWJSJG-AWEZNQCLSA-N 1 0 367.519 2.120 20 30 FEEDRO Cc1ccc2c(c1)nc(CNC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1)n2C ZINC000328685681 553807356 /nfs/dbraw/zinc/80/73/56/553807356.db2.gz FTPMESDANOUGHS-MRXNPFEDSA-N 1 0 373.501 2.242 20 30 FEEDRO CCN1CC[NH+](C[C@H](C)CNC(=O)N[C@@H]2CCCC23CCOCC3)CC1 ZINC000328689501 553807829 /nfs/dbraw/zinc/80/78/29/553807829.db2.gz BIRMHCBDCOVBBX-QZTJIDSGSA-N 1 0 366.550 2.113 20 30 FEEDRO CS(=O)(=O)N1CCC(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000328699342 553809018 /nfs/dbraw/zinc/80/90/18/553809018.db2.gz VMYHBPHTWCHGII-INIZCTEOSA-N 1 0 357.520 2.022 20 30 FEEDRO CSC[C@H](C)C(=O)N1CCC(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000328709738 553810709 /nfs/dbraw/zinc/81/07/09/553810709.db2.gz MPAGZOHQEWWGFD-ZFWWWQNUSA-N 1 0 353.532 2.417 20 30 FEEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N2CCN(C3CC3)C(=O)C2)C1 ZINC000328723709 553812586 /nfs/dbraw/zinc/81/25/86/553812586.db2.gz SJSCRSIXVWHTOH-WBVHZDCISA-N 1 0 356.470 2.043 20 30 FEEDRO CC(=O)N1CC[C@H](CN(C)C(=O)NC2CC[NH+](C3CCCC3)CC2)C1 ZINC000328725800 553812967 /nfs/dbraw/zinc/81/29/67/553812967.db2.gz BOOMQGDLSRXBCE-MRXNPFEDSA-N 1 0 350.507 2.108 20 30 FEEDRO CCn1ncc2cc(C(=O)NC[C@@H](C)N3CC[NH+](CC)CC3)c(C)nc21 ZINC000328732504 553814148 /nfs/dbraw/zinc/81/41/48/553814148.db2.gz XMVRNPIJATZUJB-CQSZACIVSA-N 1 0 358.490 2.090 20 30 FEEDRO C[C@H](C(=O)NC1CCCC1)N1CCN(C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000328797447 553823651 /nfs/dbraw/zinc/82/36/51/553823651.db2.gz FCTVHSVANCWQAC-OAHLLOKOSA-N 1 0 369.469 2.380 20 30 FEEDRO CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NC[C@@H]1CCCn2cc(C)nc21 ZINC000328836589 553829881 /nfs/dbraw/zinc/82/98/81/553829881.db2.gz SQLVXJDYBNSPNO-LSDHHAIUSA-N 1 0 368.503 2.230 20 30 FEEDRO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CC[C@H](N2CCCC2=O)C1 ZINC000328835518 553830080 /nfs/dbraw/zinc/83/00/80/553830080.db2.gz MJLPOXRJPOJMKI-ASPXRTSYSA-N 1 0 360.502 2.002 20 30 FEEDRO O=C(NCc1ccc(N2CCOCC2)nc1)N1CC[C@@H](C2CCOCC2)C1 ZINC000328836431 553830138 /nfs/dbraw/zinc/83/01/38/553830138.db2.gz MRZMQCGTGJCUHD-GOSISDBHSA-N 1 0 374.485 2.081 20 30 FEEDRO CC(C)(C)N1C[C@H](C(=O)NC[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)CC1=O ZINC000328838310 553830711 /nfs/dbraw/zinc/83/07/11/553830711.db2.gz NPYVDOCXYMSDEH-SQNIBIBYSA-N 1 0 373.497 2.225 20 30 FEEDRO Cn1nccc1[C@@H]1[C@@H](C(=O)NC2CC[NH+](C3CCCC3)CC2)CC(=O)N1C ZINC000328915459 553844208 /nfs/dbraw/zinc/84/42/08/553844208.db2.gz QTUSFOHASMZFMQ-LPHOPBHVSA-N 1 0 373.501 2.303 20 30 FEEDRO CC1(C)CC(NC(=O)N2CCOC[C@@H]2[C@@H]2CCC[C@H]2O)CC(C)(C)[NH2+]1 ZINC000328931086 553847198 /nfs/dbraw/zinc/84/71/98/553847198.db2.gz BAIDOVGNTDODPB-ARFHVFGLSA-N 1 0 353.507 2.071 20 30 FEEDRO C[C@]1(O)CCOC[C@@H]1[C@H]1CCC[N@@H+]1CC(=O)Nc1nc2c(s1)CCC2 ZINC000328979874 553857877 /nfs/dbraw/zinc/85/78/77/553857877.db2.gz RFALCNRZXOTYEO-DFHBCGBQSA-N 1 0 365.499 2.472 20 30 FEEDRO C[C@H](CNC(=O)N1CCC[C@@H]1[C@@H]1COCC[C@@]1(C)O)C[NH+]1CCCCC1 ZINC000329019537 553865922 /nfs/dbraw/zinc/86/59/22/553865922.db2.gz HJSQBLAWXVKSPH-AJYBTWMASA-N 1 0 367.534 2.274 20 30 FEEDRO CO[C@@H]1CCC[C@@H]1[C@@H]1COCCN1C(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000329023887 553866231 /nfs/dbraw/zinc/86/62/31/553866231.db2.gz IWZXNKJRJVNHHP-ZJPYXAASSA-N 1 0 353.507 2.148 20 30 FEEDRO C[N@@H+]1CC[C@@H]2OCCN(CC(=O)Nc3nc4c(s3)CCCC4)[C@H]2C1 ZINC000329030494 553867978 /nfs/dbraw/zinc/86/79/78/553867978.db2.gz PMPWIEHFQDQTCW-KBPBESRZSA-N 1 0 350.488 2.015 20 30 FEEDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)N1CCC[C@H]1Cn1cc(C2CC2)nn1 ZINC000329037390 553868907 /nfs/dbraw/zinc/86/89/07/553868907.db2.gz NGRHFYOPKFGROX-JZXOWHBKSA-N 1 0 358.490 2.161 20 30 FEEDRO CO[C@@H]1CCC[C@@H]1[C@@H]1COCCN1C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000329101342 553880536 /nfs/dbraw/zinc/88/05/36/553880536.db2.gz ZSURUAQVZZQSDQ-MDMSPXHWSA-N 1 0 353.507 2.289 20 30 FEEDRO O=C(N[C@@H]1CCO[C@]2(CCOC2)C1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000329107226 553881567 /nfs/dbraw/zinc/88/15/67/553881567.db2.gz HWFDVADAVRMFFB-WSTZPKSXSA-N 1 0 360.454 2.182 20 30 FEEDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C(C)C ZINC000329110747 553882290 /nfs/dbraw/zinc/88/22/90/553882290.db2.gz GMVXFVVJLQMXDX-BBWFWOEESA-N 1 0 365.522 2.246 20 30 FEEDRO CN1CC[NH+](CCC(C)(C)NC(=O)c2cc3ccccc3c(=O)n2C)CC1 ZINC000329112235 553882516 /nfs/dbraw/zinc/88/25/16/553882516.db2.gz RHSAEEQVYIEUGU-UHFFFAOYSA-N 1 0 370.497 2.259 20 30 FEEDRO C[NH+]1CCC(CCNC(=O)N[C@@H]2CC(=O)N(C3CCCCC3)C2)CC1 ZINC000329143377 553888695 /nfs/dbraw/zinc/88/86/95/553888695.db2.gz MAWGYFZCZDAIJJ-MRXNPFEDSA-N 1 0 350.507 2.156 20 30 FEEDRO Cc1noc(Cl)c1CCC(=O)NC1CC[NH+]([C@@H]2CCN(C)C2=O)CC1 ZINC000329184497 553897910 /nfs/dbraw/zinc/89/79/10/553897910.db2.gz PFOBPVKPIIZSBK-CQSZACIVSA-N 1 0 368.865 2.221 20 30 FEEDRO Cc1ccc(OCC(=O)NC2CC[NH+]([C@H]3CCN(C)C3=O)CC2)c(C)c1 ZINC000329202057 553900864 /nfs/dbraw/zinc/90/08/64/553900864.db2.gz WWDPBYJTVUBDGO-KRWDZBQOSA-N 1 0 359.470 2.334 20 30 FEEDRO CC(C)c1nnc2n1C[C@H]([NH+]=C([O-])N1CC[C@H]([NH+]3CCCCC3)C1)CC2 ZINC000329269403 553914038 /nfs/dbraw/zinc/91/40/38/553914038.db2.gz FDVJWQKKQNQJRY-CVEARBPZSA-N 1 0 360.506 2.191 20 30 FEEDRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)c1cccc(NC(=O)[C@H]2CCCO2)c1 ZINC000329272931 553914839 /nfs/dbraw/zinc/91/48/39/553914839.db2.gz IAFXSUBLGKZZPA-CRAIPNDOSA-N 1 0 374.485 2.394 20 30 FEEDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)N1CCC[C@@H]1[C@H]1CCCO1 ZINC000329295482 553919865 /nfs/dbraw/zinc/91/98/65/553919865.db2.gz SJDHPNNDBMRYKC-AKHDSKFASA-N 1 0 365.518 2.312 20 30 FEEDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)N[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000329298371 553920487 /nfs/dbraw/zinc/92/04/87/553920487.db2.gz UHYDHTASSIHNMR-NUJGCVRESA-N 1 0 356.470 2.265 20 30 FEEDRO O=C(NCc1ccc(CN2CCCC2=O)cc1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000329317359 553923885 /nfs/dbraw/zinc/92/38/85/553923885.db2.gz SNBWAKYXQDAYKQ-QGZVFWFLSA-N 1 0 356.470 2.049 20 30 FEEDRO Cc1cc(N2CCC(NC(=O)N[C@H](C)[C@H]3CCCOC3)CC2)nc(C)n1 ZINC000329320274 553924382 /nfs/dbraw/zinc/92/43/82/553924382.db2.gz DWSZHYFGVKYMDX-ZBFHGGJFSA-N 1 0 361.490 2.381 20 30 FEEDRO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000329354882 553930727 /nfs/dbraw/zinc/93/07/27/553930727.db2.gz FKKIUOVEJNGFGQ-OIISXLGYSA-N 1 0 371.547 2.458 20 30 FEEDRO Cc1noc([C@@H](NC(=O)N2CCC(c3c[nH]cn3)CC2)C2CCOCC2)n1 ZINC000329375874 553934393 /nfs/dbraw/zinc/93/43/93/553934393.db2.gz LBQSVHSAPYSVSI-INIZCTEOSA-N 1 0 374.445 2.362 20 30 FEEDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NCc1ccc(S(C)(=O)=O)s1 ZINC000329390835 553937091 /nfs/dbraw/zinc/93/70/91/553937091.db2.gz SMAPGMAKZFYYES-OCCSQVGLSA-N 1 0 371.528 2.124 20 30 FEEDRO O=C(Nc1cccc2c1OCCC2=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000329390778 553937383 /nfs/dbraw/zinc/93/73/83/553937383.db2.gz SKADDFJFXHCZEX-AEFFLSMTSA-N 1 0 373.453 2.356 20 30 FEEDRO CC[C@@]1(C)CN(C(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2ccnn2C)CCO1 ZINC000329417382 553942387 /nfs/dbraw/zinc/94/23/87/553942387.db2.gz DKWLQKVYQHEXPA-WDYCEAGBSA-N 1 0 363.506 2.218 20 30 FEEDRO CC[NH+]1CCC(CCNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)CC1 ZINC000506673620 561705548 /nfs/dbraw/zinc/70/55/48/561705548.db2.gz ACYDVRXMEXTHRH-LJQANCHMSA-N 1 0 351.491 2.486 20 30 FEEDRO O=C(N[C@H](CO)C1CCOCC1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000329450596 553949207 /nfs/dbraw/zinc/94/92/07/553949207.db2.gz LWWIKLWYHZRYAQ-GOSISDBHSA-N 1 0 353.507 2.075 20 30 FEEDRO CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@H](c2nc(C)no2)C2CCOCC2)C1 ZINC000329478129 553954276 /nfs/dbraw/zinc/95/42/76/553954276.db2.gz CDTMZYVNWXDDGD-CVEARBPZSA-N 1 0 365.478 2.176 20 30 FEEDRO C[C@H](O)CN1CCN(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)CC1 ZINC000329478888 553954387 /nfs/dbraw/zinc/95/43/87/553954387.db2.gz QHNKNDLXUYBMDO-SFHVURJKSA-N 1 0 366.550 2.088 20 30 FEEDRO Cn1nccc1[C@H]1[C@H](CNC(=O)N2CCCSCC2)CCC[N@@H+]1C ZINC000329490101 553956546 /nfs/dbraw/zinc/95/65/46/553956546.db2.gz SJNFVYDODBLMCM-GOEBONIOSA-N 1 0 351.520 2.156 20 30 FEEDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCC[C@@H]1[C@@H]1COCC[C@@H]1O ZINC000329512869 553959821 /nfs/dbraw/zinc/95/98/21/553959821.db2.gz XVTNJQOFXALCPB-BDPHEOEISA-N 1 0 367.534 2.129 20 30 FEEDRO Cc1noc([C@H](NC(=O)N2CCC([NH2+]C(C)C)CC2)C2CCOCC2)n1 ZINC000329513463 553960016 /nfs/dbraw/zinc/96/00/16/553960016.db2.gz NVLWHKIULIRCMQ-MRXNPFEDSA-N 1 0 365.478 2.222 20 30 FEEDRO C[N@H+](CCO)C1CCN(C(=O)Nc2ccc(OC3CCCC3)nc2)CC1 ZINC000329546915 553965904 /nfs/dbraw/zinc/96/59/04/553965904.db2.gz DOGUGBNNIQAWQP-UHFFFAOYSA-N 1 0 362.474 2.337 20 30 FEEDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2CC[C@H](C(=O)N3CCCC3)C2)C1 ZINC000329562236 553968153 /nfs/dbraw/zinc/96/81/53/553968153.db2.gz RRPKWORBIWHTGN-MSOLQXFVSA-N 1 0 364.534 2.213 20 30 FEEDRO C[C@@H]1CN(C[C@@H]2CCCN2C(=O)Nc2cn(C)nc2C2CC2)C[C@H](C)O1 ZINC000329598509 553974536 /nfs/dbraw/zinc/97/45/36/553974536.db2.gz DCDNWCSQKDEZSJ-LZWOXQAQSA-N 1 0 361.490 2.417 20 30 FEEDRO CCO[C@@H]1C[C@H](NC(=O)N(C)[C@@H]2CC[N@H+](CC)[C@H](C)C2)[C@@]12CCCO2 ZINC000329603986 553975112 /nfs/dbraw/zinc/97/51/12/553975112.db2.gz YRQXPPWURAXYLG-ILYVXUQDSA-N 1 0 353.507 2.432 20 30 FEEDRO CCCC(=O)N1CSC[C@@H]1C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000329610929 553976706 /nfs/dbraw/zinc/97/67/06/553976706.db2.gz RFKNGAOYQRULCV-GOEBONIOSA-N 1 0 369.531 2.145 20 30 FEEDRO C[C@@H]1CN(C(=O)N[C@H]2C[C@H](C)S(=O)(=O)c3sccc32)C[C@H]1[NH+](C)C ZINC000329636412 553980417 /nfs/dbraw/zinc/98/04/17/553980417.db2.gz VCYVLFVLLXVJKB-UVLXDEKHSA-N 1 0 371.528 2.151 20 30 FEEDRO C[C@H]1[N@H+](CC(=O)Nc2cc(-n3cnnn3)ccc2F)CCC12CCOCC2 ZINC000329659097 553984207 /nfs/dbraw/zinc/98/42/07/553984207.db2.gz HNFDRXJESOVTLA-CYBMUJFWSA-N 1 0 374.420 2.280 20 30 FEEDRO C[C@@H]1C[C@H](CCNC(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CCO1 ZINC000329685362 553988849 /nfs/dbraw/zinc/98/88/49/553988849.db2.gz ZXNHEDHDBUDAHP-AHCXZYCDSA-N 1 0 353.507 2.073 20 30 FEEDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)N[C@H]1CCOC2(CCOCC2)C1 ZINC000329724500 553996167 /nfs/dbraw/zinc/99/61/67/553996167.db2.gz BPGKUSNWOBIRGH-WBVHZDCISA-N 1 0 353.507 2.291 20 30 FEEDRO C[C@@H]1C[C@H](CCNC(=O)N2CCC([N@@H+]3CCO[C@@H](C)C3)CC2)CCO1 ZINC000329753456 554000275 /nfs/dbraw/zinc/00/02/75/554000275.db2.gz KAIODPNPQBXJMI-IXDOHACOSA-N 1 0 353.507 2.291 20 30 FEEDRO C[C@@H]1C[C@H](CCNC(=O)N2CC[NH+](CC3CCOCC3)CC2)CCO1 ZINC000329761219 554001341 /nfs/dbraw/zinc/00/13/41/554001341.db2.gz RDPKIAUNRYZEEV-IAGOWNOFSA-N 1 0 353.507 2.150 20 30 FEEDRO C[C@@H]1C[C@H](NC(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC[N@@H+]1C ZINC000329791928 554006815 /nfs/dbraw/zinc/00/68/15/554006815.db2.gz FCISGIPURAYZRA-IAGOWNOFSA-N 1 0 352.523 2.008 20 30 FEEDRO C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@@H]2CCOC3(CCCCC3)C2)C[C@H]1C ZINC000329796237 554007599 /nfs/dbraw/zinc/00/75/99/554007599.db2.gz WUGVBUMQACOUDM-IXDOHACOSA-N 1 0 353.507 2.169 20 30 FEEDRO C[C@@H]1C[N@H+](C2CCN(C(=O)NCC3C[C@H](C)O[C@@H](C)C3)CC2)CCO1 ZINC000329809619 554009618 /nfs/dbraw/zinc/00/96/18/554009618.db2.gz QEJYLWWLHAEOQZ-HRCADAONSA-N 1 0 353.507 2.289 20 30 FEEDRO Cc1ncc(C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)c(C2CC2)n1 ZINC000329812731 554010258 /nfs/dbraw/zinc/01/02/58/554010258.db2.gz CMLRDFYEGVICIO-UHFFFAOYSA-N 1 0 366.469 2.314 20 30 FEEDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)N[C@H]1CC(=O)N(c2ccccc2F)C1 ZINC000329823484 554012793 /nfs/dbraw/zinc/01/27/93/554012793.db2.gz QIZOBYYJRPIWCV-HLLBOEOZSA-N 1 0 374.460 2.404 20 30 FEEDRO C[C@@H]1C[C@H](NC(=O)N[C@H]2CCc3c[nH]nc3C2)C[N@@H+]1Cc1ccccc1 ZINC000329824141 554012940 /nfs/dbraw/zinc/01/29/40/554012940.db2.gz HSECMSBCFKRBSM-JLSDUUJJSA-N 1 0 353.470 2.434 20 30 FEEDRO O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)N[C@H]1CCc2c[nH]nc2C1 ZINC000329840078 554016396 /nfs/dbraw/zinc/01/63/96/554016396.db2.gz OANIXIRJEYBQJB-ROUUACIJSA-N 1 0 353.470 2.435 20 30 FEEDRO CC(C)c1nnc([C@H]2CN(C(=O)NC[C@@H](C)C[NH+]3CCCC3)CCO2)o1 ZINC000329952934 554038112 /nfs/dbraw/zinc/03/81/12/554038112.db2.gz NMDQLSQFHLNOMC-HUUCEWRRSA-N 1 0 365.478 2.212 20 30 FEEDRO CN(C)[C@H](CNS(=O)(=O)Cc1cccc(C#N)c1)c1cccc(F)c1 ZINC000507381176 561727258 /nfs/dbraw/zinc/72/72/58/561727258.db2.gz MJWSRRPQAUKWLE-GOSISDBHSA-N 1 0 361.442 2.420 20 30 FEEDRO CC(C)(O)C1CN(C(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)C1 ZINC000329980092 554043377 /nfs/dbraw/zinc/04/33/77/554043377.db2.gz KQPLMEMMYXQNCL-UHFFFAOYSA-N 1 0 363.424 2.408 20 30 FEEDRO CC[NH+]1CCN(c2cccc(NC(=O)N3C[C@@H]4CC[C@H](O)[C@@H]4C3)c2)CC1 ZINC000329981908 554043485 /nfs/dbraw/zinc/04/34/85/554043485.db2.gz OEXNBUSYJOWZGX-IPELMVKDSA-N 1 0 358.486 2.077 20 30 FEEDRO Cn1ccnc1[C@@H](NC(=O)C(=O)Nc1cc(C#N)ccc1Cl)C1CC1 ZINC000507386161 561727567 /nfs/dbraw/zinc/72/75/67/561727567.db2.gz UOLVMDXOPKGHCI-AWEZNQCLSA-N 1 0 357.801 2.151 20 30 FEEDRO Cc1cc(CN2C[C@@H](F)C[C@H]2CNC(=O)[C@H]2CCC[N@@H+]2C2CC2)on1 ZINC000329990141 554045123 /nfs/dbraw/zinc/04/51/23/554045123.db2.gz VXEFFQSMCYUFAS-JLJPHGGASA-N 1 0 350.438 2.479 20 30 FEEDRO CC(C)(CNC(=O)N1C[C@@]2(CCOC2)OC(C)(C)C1)C[NH+]1CCCC1 ZINC000329998667 554046611 /nfs/dbraw/zinc/04/66/11/554046611.db2.gz SSQKSNLMISBHRW-LJQANCHMSA-N 1 0 353.507 2.292 20 30 FEEDRO CC(C)CC[NH+]1CCC(CNC(=O)N2CC[S@](=O)[C@H](C)[C@H]2C)CC1 ZINC000329997740 554046677 /nfs/dbraw/zinc/04/66/77/554046677.db2.gz RAVJAUQCXHWMGO-JOWJHRDDSA-N 1 0 357.564 2.500 20 30 FEEDRO CC1CC[NH+]([C@H](CNC(=O)N[C@@H]2CC[S@](=O)C2)c2ccccc2)CC1 ZINC000329997359 554046709 /nfs/dbraw/zinc/04/67/09/554046709.db2.gz QKSVUEDEHZCVTM-GAKIBJFNSA-N 1 0 363.527 2.484 20 30 FEEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCO[C@H]2c2ccc(=O)[nH]c2)C[C@@H]1C ZINC000330000247 554047198 /nfs/dbraw/zinc/04/71/98/554047198.db2.gz WCSKRSUHZXIHTE-SCNOPHJPSA-N 1 0 362.474 2.336 20 30 FEEDRO CC1CC[NH+](Cc2ccccc2CNC(=O)N[C@@H]2CC[S@@](=O)C2)CC1 ZINC000330001247 554047476 /nfs/dbraw/zinc/04/74/76/554047476.db2.gz XREDWBDKAQWUJJ-IQGLISFBSA-N 1 0 363.527 2.443 20 30 FEEDRO C=CCOc1cccc(NC(=O)C(=O)N[C@@H](c2nccn2C)C2CC2)c1 ZINC000507444255 561729880 /nfs/dbraw/zinc/72/98/80/561729880.db2.gz TYXDNLWGXPAFIZ-MRXNPFEDSA-N 1 0 354.410 2.191 20 30 FEEDRO CC1CC[NH+](Cc2cccc(CNC(=O)N[C@@H]3CC[S@@](=O)C3)c2)CC1 ZINC000330025490 554051377 /nfs/dbraw/zinc/05/13/77/554051377.db2.gz KOHLSFTVJIKZOE-IQGLISFBSA-N 1 0 363.527 2.443 20 30 FEEDRO C[C@H](NC(=O)N1CC[C@H](N2CCCC2=O)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000330034781 554052730 /nfs/dbraw/zinc/05/27/30/554052730.db2.gz BHUQKGVZGLBBSP-BQFCYCMXSA-N 1 0 362.518 2.250 20 30 FEEDRO CC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000330040175 554053641 /nfs/dbraw/zinc/05/36/41/554053641.db2.gz FRDBIKIQVBGOIW-WOSRLPQWSA-N 1 0 359.561 2.328 20 30 FEEDRO Cc1nc2ncnn2c(C)c1CCC(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000330058413 554056710 /nfs/dbraw/zinc/05/67/10/554056710.db2.gz YXMSTQVGUWOICT-QGZVFWFLSA-N 1 0 362.503 2.068 20 30 FEEDRO O=C(NC1CC[NH+](Cc2ccc(F)cc2)CC1)c1cn([C@@H]2CCOC2)nn1 ZINC000330063875 554057536 /nfs/dbraw/zinc/05/75/36/554057536.db2.gz QJTGWTJFGMFUIZ-QGZVFWFLSA-N 1 0 373.432 2.348 20 30 FEEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(SCCOC)cc1 ZINC000507550286 561732700 /nfs/dbraw/zinc/73/27/00/561732700.db2.gz LRZKUMBSSBFACJ-UONOGXRCSA-N 1 0 365.499 2.476 20 30 FEEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(SCCOC)cc1 ZINC000507550284 561732809 /nfs/dbraw/zinc/73/28/09/561732809.db2.gz LRZKUMBSSBFACJ-KGLIPLIRSA-N 1 0 365.499 2.476 20 30 FEEDRO CCc1cc2nncn2c(SCC(=O)NC2CC[NH+](C3CC3)CC2)n1 ZINC000330094009 554063266 /nfs/dbraw/zinc/06/32/66/554063266.db2.gz SFXSETMKICWQND-UHFFFAOYSA-N 1 0 360.487 2.362 20 30 FEEDRO Cc1ccnc(N2CCN(C(=O)NC3CC[NH+](CC4CC4)CC3)CC2)c1 ZINC000330121712 554068271 /nfs/dbraw/zinc/06/82/71/554068271.db2.gz GZSPEGGOUKBDEA-UHFFFAOYSA-N 1 0 357.502 2.300 20 30 FEEDRO CC(C)C[NH+]1CCC(NC(=O)[C@@H](C)S(=O)(=O)C2CCOCC2)CC1 ZINC000330151605 554074521 /nfs/dbraw/zinc/07/45/21/554074521.db2.gz NOEYKIVIAJGEAM-CQSZACIVSA-N 1 0 360.520 2.046 20 30 FEEDRO O=C(Nc1cccc(C[NH+]2CCC(O)CC2)c1)[C@@H]1OC[C@H]2COCC[C@@H]21 ZINC000330155067 554075099 /nfs/dbraw/zinc/07/50/99/554075099.db2.gz YBQFRXHGEIZRNE-AYOQOUSVSA-N 1 0 360.454 2.283 20 30 FEEDRO CS(=O)(=O)C[C@@H]1CCN(C(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)C1 ZINC000330170499 554077957 /nfs/dbraw/zinc/07/79/57/554077957.db2.gz BTDOQOUEKIXRAR-NVXWUHKLSA-N 1 0 371.547 2.064 20 30 FEEDRO CCOC1(C)CCN(C(=O)NCC2([NH+]3CCCC3)CCOCC2)CC1 ZINC000330199463 554083524 /nfs/dbraw/zinc/08/35/24/554083524.db2.gz VMLQMWLWBYMTIW-UHFFFAOYSA-N 1 0 353.507 2.436 20 30 FEEDRO C[N@@H+]1CC[C@]2(CCN(C(=O)N[C@H]3CCCN(C4CCCCC4)C3=O)C2)C1 ZINC000330225887 554088846 /nfs/dbraw/zinc/08/88/46/554088846.db2.gz UDPAZSLQDLEMKC-PXNSSMCTSA-N 1 0 362.518 2.252 20 30 FEEDRO CCn1cc(-c2n[nH]cc2C(=O)NCC2([NH+]3CCCC3)CCOCC2)cn1 ZINC000330238990 554090800 /nfs/dbraw/zinc/09/08/00/554090800.db2.gz VKVOHINZNZREDR-UHFFFAOYSA-N 1 0 372.473 2.243 20 30 FEEDRO CCn1nc(NC(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)cc1C1CC1 ZINC000330263021 554095805 /nfs/dbraw/zinc/09/58/05/554095805.db2.gz VZMGSMFHPKYBKJ-AWEZNQCLSA-N 1 0 361.490 2.607 20 30 FEEDRO CC(C)N1C[C@H](NC(=O)NC2CC[NH+](C3CCCCC3)CC2)CC1=O ZINC000330277252 554097543 /nfs/dbraw/zinc/09/75/43/554097543.db2.gz NZERRHSBBKLYSM-MRXNPFEDSA-N 1 0 350.507 2.296 20 30 FEEDRO Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NC(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000330323642 554105017 /nfs/dbraw/zinc/10/50/17/554105017.db2.gz HUAQIOYLVQPCHH-SKDZVZGDSA-N 1 0 363.506 2.102 20 30 FEEDRO C[NH+](C)C1CCN(S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)CC1 ZINC000330370493 554111995 /nfs/dbraw/zinc/11/19/95/554111995.db2.gz FMVLIBHUYSWBKA-UHFFFAOYSA-N 1 0 361.389 2.292 20 30 FEEDRO C[C@@H](CC#N)N(C)S(=O)(=O)NC[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000330410923 554118291 /nfs/dbraw/zinc/11/82/91/554118291.db2.gz JXIVLEKXBQZSTR-RDJZCZTQSA-N 1 0 356.536 2.099 20 30 FEEDRO C[C@@H](CC#N)N(C)S(=O)(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000330427866 554120398 /nfs/dbraw/zinc/12/03/98/554120398.db2.gz UDMYARSDLWCAEF-JZXOWHBKSA-N 1 0 364.515 2.108 20 30 FEEDRO CCN1CC[C@H]([NH2+][C@H](C)C(=O)NC(=O)NC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000330442174 554122147 /nfs/dbraw/zinc/12/21/47/554122147.db2.gz PMJGLUSEUQTLTQ-ONERCXAPSA-N 1 0 370.856 2.253 20 30 FEEDRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)Nc2ccc(F)cc2F)CC1 ZINC000330659136 554152036 /nfs/dbraw/zinc/15/20/36/554152036.db2.gz AICYZSPWYSFJIP-UHFFFAOYSA-N 1 0 354.401 2.233 20 30 FEEDRO COc1cc(CNC(=O)N2CC[N@H+](C)C[C@@H]2C(C)C)cc(OC)c1OC ZINC000330831708 554176656 /nfs/dbraw/zinc/17/66/56/554176656.db2.gz HDTMGUVZHBOJSK-OAHLLOKOSA-N 1 0 365.474 2.398 20 30 FEEDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)Nc1cccc(CS(C)(=O)=O)c1 ZINC000330898563 554185227 /nfs/dbraw/zinc/18/52/27/554185227.db2.gz UZHANAMUAWHXDB-CQSZACIVSA-N 1 0 367.515 2.439 20 30 FEEDRO CC(C)c1nnc([C@@H]2CN(C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)CCO2)o1 ZINC000330979257 554196743 /nfs/dbraw/zinc/19/67/43/554196743.db2.gz GFIGVWMMPKCCJH-KGLIPLIRSA-N 1 0 367.494 2.457 20 30 FEEDRO CC(C)NC(=O)NC1(C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)CCCCC1 ZINC000331009128 554200698 /nfs/dbraw/zinc/20/06/98/554200698.db2.gz RAQVZNBBZWFUBJ-HZPDHXFCSA-N 1 0 352.523 2.446 20 30 FEEDRO COc1cc(NC(=O)NCC2(O)CC[NH+](C)CC2)ccc1Br ZINC000331024691 554202845 /nfs/dbraw/zinc/20/28/45/554202845.db2.gz VLULOIUJKUJXCM-UHFFFAOYSA-N 1 0 372.263 2.240 20 30 FEEDRO CC(=O)N1CCC[C@@H](CNC(=O)N2CCC(CCC[NH+](C)C)CC2)C1 ZINC000331079843 554210010 /nfs/dbraw/zinc/21/00/10/554210010.db2.gz YMYOFMBTNOMECL-SFHVURJKSA-N 1 0 352.523 2.213 20 30 FEEDRO CCC[NH+]1CCC(NC(=O)Nc2cc(S(N)(=O)=O)cc(C)c2C)CC1 ZINC000331227137 554233711 /nfs/dbraw/zinc/23/37/11/554233711.db2.gz BKMKIMQCWBYCLE-UHFFFAOYSA-N 1 0 368.503 2.151 20 30 FEEDRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)Nc1ccc(C(N)=O)cc1F ZINC000331310175 554245517 /nfs/dbraw/zinc/24/55/17/554245517.db2.gz YQGXHKJMTAMJBK-LLVKDONJSA-N 1 0 352.410 2.032 20 30 FEEDRO C=CCn1c(C(=O)NC(CC)CC)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000508921407 561778451 /nfs/dbraw/zinc/77/84/51/561778451.db2.gz YSDKRELTUOWEJC-KRWDZBQOSA-N 1 0 374.533 2.447 20 30 FEEDRO C=CCn1c(CC2CC2)nnc1N1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000508954918 561779350 /nfs/dbraw/zinc/77/93/50/561779350.db2.gz CIPYCNJFUIONHW-UHFFFAOYSA-N 1 0 372.561 2.411 20 30 FEEDRO CS[C@@H]1CN(C(=O)[C@@H](C)Oc2ccc(C#N)cc2)C[C@@H]1[NH+]1CCCC1 ZINC000331543532 554282877 /nfs/dbraw/zinc/28/28/77/554282877.db2.gz IFGRIUZATLCPQT-FHLIZLRMSA-N 1 0 359.495 2.364 20 30 FEEDRO Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N(C)CC3CC[NH+](C)CC3)C2)n1 ZINC000331659180 554303069 /nfs/dbraw/zinc/30/30/69/554303069.db2.gz XDLWWTSFHMMJCN-LJQANCHMSA-N 1 0 369.513 2.278 20 30 FEEDRO CC(=O)N[C@H]1CCC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)C1 ZINC000331962847 554353580 /nfs/dbraw/zinc/35/35/80/554353580.db2.gz PVUDNILDHOMCGL-AWEZNQCLSA-N 1 0 374.510 2.428 20 30 FEEDRO CN(CCC#N)S(=O)(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000332241246 554408102 /nfs/dbraw/zinc/40/81/02/554408102.db2.gz VAJQFXVLHVBJSY-UHFFFAOYSA-N 1 0 364.515 2.242 20 30 FEEDRO C=CC[C@@H]1N(C(=O)C(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)CCCC1(C)C ZINC000332318365 554423783 /nfs/dbraw/zinc/42/37/83/554423783.db2.gz PWEFQKFYFXGGPP-ROUUACIJSA-N 1 0 361.530 2.428 20 30 FEEDRO Cc1nc(C#N)c(N2CCN(C(=O)C[NH+]3CC(C)(C)CC(C)(C)C3)CC2)o1 ZINC000332334188 554427330 /nfs/dbraw/zinc/42/73/30/554427330.db2.gz UANMJIYKQCSWHN-UHFFFAOYSA-N 1 0 373.501 2.261 20 30 FEEDRO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000332537408 554466560 /nfs/dbraw/zinc/46/65/60/554466560.db2.gz JMTSCKJMQDYKKT-CJNGLKHVSA-N 1 0 361.877 2.184 20 30 FEEDRO Cn1cc(C#N)c(=NC(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)[nH]1 ZINC000610561132 554528371 /nfs/dbraw/zinc/52/83/71/554528371.db2.gz PPTLJFXAJWZLFB-ZDUSSCGKSA-N 1 0 358.471 2.387 20 30 FEEDRO CC[NH+]1CCN(c2ccc(NC(=O)Nc3nn(C)cc3C#N)c(C)c2)CC1 ZINC000610564740 554529986 /nfs/dbraw/zinc/52/99/86/554529986.db2.gz LHVRWXBAUKCSFN-UHFFFAOYSA-N 1 0 367.457 2.386 20 30 FEEDRO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)N2CCC(C)(C#N)CC2)cc1 ZINC000333635630 554629394 /nfs/dbraw/zinc/62/93/94/554629394.db2.gz HHGUNUPETLGELK-ROUUACIJSA-N 1 0 356.470 2.476 20 30 FEEDRO C[C@H](NC(=O)N1CCCN(c2ccccc2C#N)CC1)[C@H]1CCC[NH2+]C1 ZINC000333644735 554630306 /nfs/dbraw/zinc/63/03/06/554630306.db2.gz IVXPMBSZVWMAEP-WMZOPIPTSA-N 1 0 355.486 2.168 20 30 FEEDRO N#Cc1ccc(OC2CCC(NC(=O)N3C[C@@H]4CC[C@@H]([NH3+])[C@@H]4C3)CC2)nc1 ZINC000333856006 554649616 /nfs/dbraw/zinc/64/96/16/554649616.db2.gz YHXRQOLPRQDEMV-VVLHZNOGSA-N 1 0 369.469 2.022 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@H](N3CCCC3=O)CC2)CC1 ZINC000334017427 554668514 /nfs/dbraw/zinc/66/85/14/554668514.db2.gz BSUWUTPCEBHVAF-SFHVURJKSA-N 1 0 362.518 2.213 20 30 FEEDRO C=CCOC[C@@H]1NC(=O)N(C2CC[NH+]([C@@H](C)c3ccccc3)CC2)C1=O ZINC000348506058 554687647 /nfs/dbraw/zinc/68/76/47/554687647.db2.gz JRTVDCZHMIQHMD-YJBOKZPZSA-N 1 0 357.454 2.335 20 30 FEEDRO C=CCOC[C@@H]1NC(=O)N(CC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)C1=O ZINC000348559636 554688569 /nfs/dbraw/zinc/68/85/69/554688569.db2.gz CCOGFDZHOWYPJT-WDSOQIARSA-N 1 0 371.481 2.410 20 30 FEEDRO C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000360588294 554880909 /nfs/dbraw/zinc/88/09/09/554880909.db2.gz MPYDGHBUYKVKIT-KRWDZBQOSA-N 1 0 370.497 2.320 20 30 FEEDRO N#CCC[C@H](NC(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1ccccc1 ZINC000362788302 554988491 /nfs/dbraw/zinc/98/84/91/554988491.db2.gz OQRGDWIDNFTIFC-OTWHNJEPSA-N 1 0 356.470 2.272 20 30 FEEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000362971808 555004533 /nfs/dbraw/zinc/00/45/33/555004533.db2.gz YXUDMVFURRREMY-RTBURBONSA-N 1 0 356.470 2.343 20 30 FEEDRO C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)n1cnc(C#N)n1 ZINC000511743368 561879352 /nfs/dbraw/zinc/87/93/52/561879352.db2.gz MZIPWABGBKRMJW-NVXWUHKLSA-N 1 0 366.469 2.128 20 30 FEEDRO Cn1ncc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)c1C#N ZINC000511753208 561879620 /nfs/dbraw/zinc/87/96/20/561879620.db2.gz CHXIVTRNPGJQRQ-GOSISDBHSA-N 1 0 351.454 2.322 20 30 FEEDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C1 ZINC000363350744 555083416 /nfs/dbraw/zinc/08/34/16/555083416.db2.gz CKTCMVILFMRHCD-ZWKOTPCHSA-N 1 0 370.501 2.094 20 30 FEEDRO CC[N@H+](C)Cc1cccc(CNC(=O)N2CCN(C3CC3)[C@H](C#N)C2)c1 ZINC000363407025 555097702 /nfs/dbraw/zinc/09/77/02/555097702.db2.gz RPBXTQRQPCVPKQ-LJQANCHMSA-N 1 0 355.486 2.020 20 30 FEEDRO Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N[C@H](C)C[NH+]3CCCCC3)C2)n1 ZINC000363426169 555102625 /nfs/dbraw/zinc/10/26/25/555102625.db2.gz LHBCOWBWPUVEMF-IEBWSBKVSA-N 1 0 369.513 2.469 20 30 FEEDRO N#Cc1cnn(-c2ccc(C(=O)N3CCC([NH+]4CCCC4)CC3)cc2)c1N ZINC000363484891 555117720 /nfs/dbraw/zinc/11/77/20/555117720.db2.gz GSJLVLFXFRSUOH-UHFFFAOYSA-N 1 0 364.453 2.027 20 30 FEEDRO N#Cc1cccc(OCCCCC(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)c1 ZINC000363515024 555124873 /nfs/dbraw/zinc/12/48/73/555124873.db2.gz AUBMMUYRRYMPQB-HKUYNNGSSA-N 1 0 357.454 2.087 20 30 FEEDRO C=CCN=c1[nH]cc(C(=O)NC[C@@H]2CCC[N@H+](Cc3cccnc3)C2)s1 ZINC000363706122 555168222 /nfs/dbraw/zinc/16/82/22/555168222.db2.gz AAMRHWJSJKYIRG-INIZCTEOSA-N 1 0 371.510 2.778 20 30 FEEDRO C=CCN1C(=O)c2ccc(C(=O)N(C)C3CC[NH+](CCC)CC3)cc2C1=O ZINC000512084464 561891541 /nfs/dbraw/zinc/89/15/41/561891541.db2.gz WRHFNUXGKWORMI-UHFFFAOYSA-N 1 0 369.465 2.415 20 30 FEEDRO COC(=O)[C@H]1C[C@H]([NH2+][C@H]2CCC[C@@H](C#N)C2)CN1C(=O)OC(C)(C)C ZINC000364030206 555236356 /nfs/dbraw/zinc/23/63/56/555236356.db2.gz JQHHLPOPEXSVAL-CBBWQLFWSA-N 1 0 351.447 2.209 20 30 FEEDRO N#Cc1ccccc1Cn1cccc1C[N@H+]1CCC[C@@H](N2CCNC2=O)C1 ZINC000364089697 555247669 /nfs/dbraw/zinc/24/76/69/555247669.db2.gz BJPLMHHTVGPYOD-HXUWFJFHSA-N 1 0 363.465 2.398 20 30 FEEDRO CO/N=C/c1ccc(C(=O)NC2CC[NH+](CCc3ccncc3)CC2)cc1 ZINC000364426849 555311859 /nfs/dbraw/zinc/31/18/59/555311859.db2.gz DWCDTEHAYOVZMA-XQNSMLJCSA-N 1 0 366.465 2.499 20 30 FEEDRO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000512506054 561907953 /nfs/dbraw/zinc/90/79/53/561907953.db2.gz GNPAXZDTDAKJOZ-INIZCTEOSA-N 1 0 354.520 2.124 20 30 FEEDRO C=CCNC(=O)c1ccc(N(C)C2CC[NH+](Cc3ccncc3)CC2)nc1 ZINC000364865699 555419318 /nfs/dbraw/zinc/41/93/18/555419318.db2.gz SXSNWCIFGSSNHK-UHFFFAOYSA-N 1 0 365.481 2.493 20 30 FEEDRO C=CCNC(=O)NC(=O)C[NH2+][C@@H](c1ccc(Cl)cc1)[C@H]1CCOC1 ZINC000364872774 555421621 /nfs/dbraw/zinc/42/16/21/555421621.db2.gz NNXVWFNOEFUXHL-BBRMVZONSA-N 1 0 351.834 2.019 20 30 FEEDRO C=CCN(C(=O)NCCOCCOC)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000364914298 555435886 /nfs/dbraw/zinc/43/58/86/555435886.db2.gz NHQGVCXBCZGHHT-IBGZPJMESA-N 1 0 361.486 2.122 20 30 FEEDRO C#CCOc1ccc(C(=O)N[C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@@H]2C)cc1 ZINC000365534192 555601176 /nfs/dbraw/zinc/60/11/76/555601176.db2.gz FKJUILUIZBMJQC-FFZOFVMBSA-N 1 0 356.466 2.318 20 30 FEEDRO C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@@H](C(=O)Nc2ncccc2C)C1 ZINC000365791163 555668295 /nfs/dbraw/zinc/66/82/95/555668295.db2.gz KTTOLXHZAZQOSK-QGZVFWFLSA-N 1 0 356.470 2.241 20 30 FEEDRO CC(C)c1nccn1CCC(=O)N1CCN(c2ccc(C#N)nc2)CC1 ZINC000365791891 555668328 /nfs/dbraw/zinc/66/83/28/555668328.db2.gz XSZKLPCEXIUVRN-UHFFFAOYSA-N 1 0 352.442 2.012 20 30 FEEDRO N#C[C@@H]1COCCN1C(=O)C1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000365827189 555676740 /nfs/dbraw/zinc/67/67/40/555676740.db2.gz YSSWPRNJQWBENC-CYBMUJFWSA-N 1 0 353.875 2.364 20 30 FEEDRO C=C(C)[C@H]1OCCC[C@H]1C(=O)N1CCC(N2CC[NH+](CCC)CC2)CC1 ZINC000365945853 555707854 /nfs/dbraw/zinc/70/78/54/555707854.db2.gz DDCQRYSUDXDPHI-WOJBJXKFSA-N 1 0 363.546 2.376 20 30 FEEDRO C[C@@H]([NH2+][C@H]1CCN(CCN2CCOCC2)C1)c1ccc(C#N)cc1Cl ZINC000366013882 555727507 /nfs/dbraw/zinc/72/75/07/555727507.db2.gz YNCDNSXYRWUETR-WBVHZDCISA-N 1 0 362.905 2.269 20 30 FEEDRO N#Cc1cccc(OCCCCC(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000366189232 555776446 /nfs/dbraw/zinc/77/64/46/555776446.db2.gz DNNHPDDCNXJAOI-IBGZPJMESA-N 1 0 371.481 2.477 20 30 FEEDRO Cc1oc(NC(=O)CN(C)C2CC[NH+](C3CCOCC3)CC2)c(C#N)c1C ZINC000366517456 555865643 /nfs/dbraw/zinc/86/56/43/555865643.db2.gz URUQYIGBLADZGA-UHFFFAOYSA-N 1 0 374.485 2.282 20 30 FEEDRO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CC[C@@H]2[C@@H](CCN2C(=O)OC(C)(C)C)C1 ZINC000366547371 555873681 /nfs/dbraw/zinc/87/36/81/555873681.db2.gz ZLDONUOLVIJQSL-OWCLPIDISA-N 1 0 364.490 2.078 20 30 FEEDRO C[NH+](C)C[C@@H]1CCN(C(=O)N[C@H]2CCCN(c3ccccc3C#N)C2)C1 ZINC000366627601 555894138 /nfs/dbraw/zinc/89/41/38/555894138.db2.gz FLLPFRASVKKYBP-WMZOPIPTSA-N 1 0 355.486 2.120 20 30 FEEDRO CCOC(=O)[C@H](C)[C@@H](C)[NH2+][C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000514245208 561965536 /nfs/dbraw/zinc/96/55/36/561965536.db2.gz TZCURTYAASACEP-ZRUZRRJWSA-N 1 0 351.491 2.483 20 30 FEEDRO Cn1cccc1C(=O)NC1CC[NH+](CCCC2(C#N)CCOCC2)CC1 ZINC000366844726 555949460 /nfs/dbraw/zinc/94/94/60/555949460.db2.gz JYRFGDVNCRQGFO-UHFFFAOYSA-N 1 0 358.486 2.320 20 30 FEEDRO CN(Cc1cnc2ccc(C#N)cn12)C1CC[NH+](C2CCOCC2)CC1 ZINC000367427577 556046365 /nfs/dbraw/zinc/04/63/65/556046365.db2.gz ALEYIGMDKAAMRW-UHFFFAOYSA-N 1 0 353.470 2.281 20 30 FEEDRO C[N@@H+]1CCC[C@H](CNCC(=O)N[C@@](C)(C#N)C2CC2)[C@H]1c1ccccc1 ZINC000367485479 556063126 /nfs/dbraw/zinc/06/31/26/556063126.db2.gz YPYBNEFMIBQUMS-UIFIKXQLSA-N 1 0 354.498 2.468 20 30 FEEDRO COC(=O)[C@@]12CCC[C@H]1C[N@H+](Cc1nnc(-c3ccc(C#N)cc3)o1)C2 ZINC000367828676 556149223 /nfs/dbraw/zinc/14/92/23/556149223.db2.gz VPUDBJPFHLPZPK-HNAYVOBHSA-N 1 0 352.394 2.383 20 30 FEEDRO C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000367851576 556154924 /nfs/dbraw/zinc/15/49/24/556154924.db2.gz AXODCLSYKJGIQZ-GJZGRUSLSA-N 1 0 370.453 2.049 20 30 FEEDRO N#Cc1ccc(N2CCC[C@@H](N3CC[NH+]([C@@H]4CCSC4)CC3)C2=O)cc1 ZINC000367918766 556172637 /nfs/dbraw/zinc/17/26/37/556172637.db2.gz SFSPUVGGUQITPU-RTBURBONSA-N 1 0 370.522 2.177 20 30 FEEDRO C[NH+](C)C[C@@H]1CN(S(=O)(=O)Cc2ccc(C#N)cc2)c2ccccc2O1 ZINC000367948777 556180059 /nfs/dbraw/zinc/18/00/59/556180059.db2.gz XCMOYUSPGIWCDV-QGZVFWFLSA-N 1 0 371.462 2.217 20 30 FEEDRO CN(CCC#N)C[C@H](O)C[NH2+]Cc1ccnc(Oc2ccccc2F)c1 ZINC000515166164 561998533 /nfs/dbraw/zinc/99/85/33/561998533.db2.gz CCNBHPZGDIQVPJ-MRXNPFEDSA-N 1 0 358.417 2.309 20 30 FEEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc(=O)[nH]c(C2CC2)n1 ZINC000515310484 562004601 /nfs/dbraw/zinc/00/46/01/562004601.db2.gz SDBHUHGARQPEHI-UHFFFAOYSA-N 1 0 365.437 2.135 20 30 FEEDRO C=C(C)CN(CC)C(=O)C(=O)NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000515473099 562011849 /nfs/dbraw/zinc/01/18/49/562011849.db2.gz VDDBETKVAQUAPC-IBGZPJMESA-N 1 0 357.498 2.438 20 30 FEEDRO C=CC[C@H](C(=O)N1CCN([C@H]2CCCCNC2=O)CC1)c1ccccc1 ZINC000368749871 556405050 /nfs/dbraw/zinc/40/50/50/556405050.db2.gz JZSNJBBMICUUOD-OALUTQOASA-N 1 0 355.482 2.159 20 30 FEEDRO N#Cc1ccc(NC(=O)C(=O)NC2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000368796381 556414643 /nfs/dbraw/zinc/41/46/43/556414643.db2.gz XZCGMBQTXNOKQV-UHFFFAOYSA-N 1 0 368.462 2.339 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)Nc2ccc(-c3nc(C)cc(=O)[nH]3)cc2)CC1 ZINC000368867988 556433558 /nfs/dbraw/zinc/43/35/58/556433558.db2.gz TWYCZUDAEPIAMC-UHFFFAOYSA-N 1 0 350.422 2.029 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)NCCc2coc(-c3ccc(OC)cc3)n2)CC1 ZINC000368873873 556435506 /nfs/dbraw/zinc/43/55/06/556435506.db2.gz AFJCOKJLCDUWLF-UHFFFAOYSA-N 1 0 367.449 2.354 20 30 FEEDRO Cc1cc(NC(=O)N2CC[NH+](CC3CC3)CC2)nn1-c1cccc(C#N)c1 ZINC000368880572 556437608 /nfs/dbraw/zinc/43/76/08/556437608.db2.gz UGXQOEWGZKFKLN-UHFFFAOYSA-N 1 0 364.453 2.612 20 30 FEEDRO N#CC[C@@H]1CC[C@H](NC(=O)NC[C@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)C1 ZINC000515608000 562016772 /nfs/dbraw/zinc/01/67/72/562016772.db2.gz SLMHBGWVUKNYPR-KANFNMMFSA-N 1 0 356.470 2.003 20 30 FEEDRO C=CCN(C(=O)N[C@@H](C)c1nncn1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000368924143 556449975 /nfs/dbraw/zinc/44/99/75/556449975.db2.gz HWWFTGKTLBSHQQ-WMZOPIPTSA-N 1 0 368.485 2.348 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)[C@H]2CCN(c3cc(F)cc(F)c3)C2=O)CC1 ZINC000369041315 556485953 /nfs/dbraw/zinc/48/59/53/556485953.db2.gz KKNYBEAFEHKKEC-QGZVFWFLSA-N 1 0 363.408 2.084 20 30 FEEDRO CCCCCCCS(=O)(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000369105883 556506641 /nfs/dbraw/zinc/50/66/41/556506641.db2.gz BRWHBDSJFGDXSH-ZWKOTPCHSA-N 1 0 359.580 2.244 20 30 FEEDRO N#C[C@H]1CN(C(=O)NCc2ccccc2C[NH+]2CCCC2)CCN1C1CC1 ZINC000369232683 556543107 /nfs/dbraw/zinc/54/31/07/556543107.db2.gz XDKBGIBITPYPQD-FQEVSTJZSA-N 1 0 367.497 2.164 20 30 FEEDRO C=CCN(C(=O)c1cccn(C)c1=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000369308571 556570550 /nfs/dbraw/zinc/57/05/50/556570550.db2.gz ULJZKHYWTUCXGL-GOSISDBHSA-N 1 0 351.450 2.288 20 30 FEEDRO CCOc1ccc(C#N)cc1NC(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000369404427 556592834 /nfs/dbraw/zinc/59/28/34/556592834.db2.gz ZZQORCYDIGDHMQ-DLBZAZTESA-N 1 0 358.442 2.020 20 30 FEEDRO N#Cc1cccnc1OC1CCC(NC(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)CC1 ZINC000516167549 562033591 /nfs/dbraw/zinc/03/35/91/562033591.db2.gz HDZPANLZXLRSCX-CPFNUKBASA-N 1 0 369.469 2.037 20 30 FEEDRO COc1cc(C[NH+]2CCC(NC(=O)C3CCOCC3)CC2)ccc1C#N ZINC000369721138 556677782 /nfs/dbraw/zinc/67/77/82/556677782.db2.gz LXSBKFBHLZWMJK-UHFFFAOYSA-N 1 0 357.454 2.074 20 30 FEEDRO C[C@H]1CN(Cc2cn3ccccc3c2C#N)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000369767019 556689376 /nfs/dbraw/zinc/68/93/76/556689376.db2.gz PKJUHFNXMRDZKC-FXAWDEMLSA-N 1 0 351.498 2.269 20 30 FEEDRO COCCC[N@@H+]1CCCN([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)CC1 ZINC000369904095 556725695 /nfs/dbraw/zinc/72/56/95/556725695.db2.gz HMQKEWUYVPLEMT-HNNXBMFYSA-N 1 0 362.474 2.139 20 30 FEEDRO N#Cc1ccc([C@H](O)C[NH+]2CCC(C(=O)Nc3nccs3)CC2)cc1 ZINC000370558260 556908262 /nfs/dbraw/zinc/90/82/62/556908262.db2.gz OLJIPAFBPQTQAY-MRXNPFEDSA-N 1 0 356.451 2.399 20 30 FEEDRO C=CCOc1ccc(C(=O)NC[C@H]2CCC[C@@H]2[NH+]2CCOCC2)cc1OC ZINC000370760714 556960876 /nfs/dbraw/zinc/96/08/76/556960876.db2.gz SRTFYVSIZNCNLC-MSOLQXFVSA-N 1 0 374.481 2.491 20 30 FEEDRO Cc1nnc([C@H]2CC23CC[NH+](C[C@H](O)COc2ccc(C#N)cc2)CC3)o1 ZINC000370812449 556975796 /nfs/dbraw/zinc/97/57/96/556975796.db2.gz VVMOWCGRRCSRMQ-FUHWJXTLSA-N 1 0 368.437 2.259 20 30 FEEDRO C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@H]1CCCN(Cc2noc(C3CC3)n2)C1 ZINC000370884793 557002316 /nfs/dbraw/zinc/00/23/16/557002316.db2.gz CQRROQOZFNEEKF-RDJZCZTQSA-N 1 0 373.501 2.090 20 30 FEEDRO CN(C(=O)C1(C#N)CCCCC1)C1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000370887113 557003577 /nfs/dbraw/zinc/00/35/77/557003577.db2.gz SWWMBRUIVLXTRU-UHFFFAOYSA-N 1 0 360.502 2.006 20 30 FEEDRO COCC[N@@H+]1CC[C@H](NC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)C1 ZINC000371052349 557058916 /nfs/dbraw/zinc/05/89/16/557058916.db2.gz IAOABCSXRWBCQL-OTWHNJEPSA-N 1 0 356.470 2.188 20 30 FEEDRO C#CC[C@@H](NC(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1)c1ccccc1 ZINC000371090856 557072328 /nfs/dbraw/zinc/07/23/28/557072328.db2.gz YRKSTNIIWZLDQM-UYAOXDASSA-N 1 0 354.498 2.219 20 30 FEEDRO Cc1cnn(C2CCN(CCS(=O)(=O)c3cccc(C#N)c3)CC2)c1 ZINC000371098891 557074479 /nfs/dbraw/zinc/07/44/79/557074479.db2.gz KXRNOKOGJGMUIO-UHFFFAOYSA-N 1 0 358.467 2.174 20 30 FEEDRO Cc1ncc(S(=O)(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)cc1C#N ZINC000517469378 562090801 /nfs/dbraw/zinc/09/08/01/562090801.db2.gz FIQJVJSQBLZVHW-IBGZPJMESA-N 1 0 370.478 2.377 20 30 FEEDRO Cc1cc(C)n2c(CN3C[C@@H](C#N)[C@]4(C3)c3ccccc3NC4=O)cnc2n1 ZINC000371457036 557190311 /nfs/dbraw/zinc/19/03/11/557190311.db2.gz HXJJGFNWZQWFRR-QVKFZJNVSA-N 1 0 372.432 2.192 20 30 FEEDRO N#C[C@H](c1cccs1)N1CCN(C(=O)C[N@@H+]2CC[C@H](C3CC3)C2)CC1 ZINC000371474073 557192399 /nfs/dbraw/zinc/19/23/99/557192399.db2.gz VSZWSIJBMPRSQP-DLBZAZTESA-N 1 0 358.511 2.189 20 30 FEEDRO CC1(C)C(=O)N[C@H]1C1CC[NH+](CCC(=O)Nc2ccccc2C#N)CC1 ZINC000517583295 562093201 /nfs/dbraw/zinc/09/32/01/562093201.db2.gz IYHVSWSHSLCYOG-SFHVURJKSA-N 1 0 354.454 2.123 20 30 FEEDRO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCC2(C[C@H]2C(=O)N(C)C2CC2)CC1 ZINC000371546346 557216900 /nfs/dbraw/zinc/21/69/00/557216900.db2.gz ZOALZQVALJYVCH-AEFFLSMTSA-N 1 0 359.514 2.298 20 30 FEEDRO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1scc(C(C)(C)C)c1C#N)C1CC1 ZINC000517751069 562097194 /nfs/dbraw/zinc/09/71/94/562097194.db2.gz FGSIJXGKFKRGNQ-AWEZNQCLSA-N 1 0 362.499 2.312 20 30 FEEDRO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1scc(C(C)(C)C)c1C#N)C1CC1 ZINC000517751070 562097255 /nfs/dbraw/zinc/09/72/55/562097255.db2.gz FGSIJXGKFKRGNQ-CQSZACIVSA-N 1 0 362.499 2.312 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)c(Cl)c1 ZINC000371632617 557246301 /nfs/dbraw/zinc/24/63/01/557246301.db2.gz IYCMUEUVHRZJCT-SQWLQELKSA-N 1 0 365.886 2.316 20 30 FEEDRO N#Cc1ccccc1NC(=O)CC[N@@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000371635224 557246720 /nfs/dbraw/zinc/24/67/20/557246720.db2.gz UFUOROLLAGJUSY-SFHVURJKSA-N 1 0 356.470 2.074 20 30 FEEDRO COc1ccc(C[NH2+][C@@H]2CCCN(c3ccccc3C(N)=O)C2)cc1C#N ZINC000371799812 557296505 /nfs/dbraw/zinc/29/65/05/557296505.db2.gz UXDNVMCNHGUOPR-QGZVFWFLSA-N 1 0 364.449 2.424 20 30 FEEDRO Cc1cc(NC(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)nn1-c1cccc(C#N)c1 ZINC000372373124 557453575 /nfs/dbraw/zinc/45/35/75/557453575.db2.gz BLXBOIHOKCYKAW-YJBOKZPZSA-N 1 0 364.453 2.753 20 30 FEEDRO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCCN(C(=O)[C@H]3CCCO3)CC2)cc1 ZINC000372434791 557470016 /nfs/dbraw/zinc/47/00/16/557470016.db2.gz FJILUYCZEUTCRP-VQIMIIECSA-N 1 0 357.454 2.191 20 30 FEEDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1N(C)CC(=O)NC1(C#N)CCC1 ZINC000372611009 557520428 /nfs/dbraw/zinc/52/04/28/557520428.db2.gz ONDULZIAZAEOOF-HKUYNNGSSA-N 1 0 354.498 2.391 20 30 FEEDRO C=CCn1c(-c2ncccn2)nnc1N1CC[NH+](C2CCCCC2)CC1 ZINC000519695299 562140397 /nfs/dbraw/zinc/14/03/97/562140397.db2.gz IVJRZAVXTAQLAK-UHFFFAOYSA-N 1 0 353.474 2.376 20 30 FEEDRO COc1ccc2c(c1)[C@@H]([NH3+])CCN2S(=O)(=O)c1cc(C#N)ccc1C ZINC000373182634 557645876 /nfs/dbraw/zinc/64/58/76/557645876.db2.gz KKAHVMQGYPEGDH-INIZCTEOSA-N 1 0 357.435 2.474 20 30 FEEDRO C=C(C)[C@H]1OCCC[C@H]1C(=O)NC[C@H]1CN(Cc2ccccc2)CCO1 ZINC000373208963 557650192 /nfs/dbraw/zinc/65/01/92/557650192.db2.gz VBXOMUMQCNSYEH-XUVXKRRUSA-N 1 0 358.482 2.375 20 30 FEEDRO C=CC[N@H+](CCOc1ccc(S(N)(=O)=O)cc1)CCc1ccccc1 ZINC000520130595 562149441 /nfs/dbraw/zinc/14/94/41/562149441.db2.gz POTOEPHCLKFZJY-UHFFFAOYSA-N 1 0 360.479 2.444 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N2C[C@H](CC)O[C@]3(CCCOC3)C2)CC1 ZINC000373492468 557704110 /nfs/dbraw/zinc/70/41/10/557704110.db2.gz DQMLDUDEPKHXBX-AZUAARDMSA-N 1 0 365.518 2.397 20 30 FEEDRO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCC[C@]3(CNC(=O)O3)C1)CCC2 ZINC000373674303 557736736 /nfs/dbraw/zinc/73/67/36/557736736.db2.gz PCMNNRUROROWBT-SFHVURJKSA-N 1 0 374.466 2.011 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N2C[C@H](C)O[C@]3(CCO[C@H](C)C3)C2)CC1 ZINC000373777624 557757067 /nfs/dbraw/zinc/75/70/67/557757067.db2.gz NMXCSXNDMHSOAF-UWVAXJGDSA-N 1 0 365.518 2.395 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000373837108 557770008 /nfs/dbraw/zinc/77/00/08/557770008.db2.gz VWLXFJYUULKWOF-OALUTQOASA-N 1 0 365.518 2.112 20 30 FEEDRO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000374403782 557879729 /nfs/dbraw/zinc/87/97/29/557879729.db2.gz VSGUJEAWLGSAOE-JKSUJKDBSA-N 1 0 365.437 2.041 20 30 FEEDRO C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000374410829 557880407 /nfs/dbraw/zinc/88/04/07/557880407.db2.gz IYMRAHVIZORJHK-RGIVZKHGSA-N 1 0 357.454 2.036 20 30 FEEDRO C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000374410828 557880511 /nfs/dbraw/zinc/88/05/11/557880511.db2.gz IYMRAHVIZORJHK-QNDJGXFYSA-N 1 0 357.454 2.036 20 30 FEEDRO Cn1nnc2cc(C(=O)NC3(C#N)CC[NH+](Cc4ccccc4)CC3)ccc21 ZINC000374885050 557946050 /nfs/dbraw/zinc/94/60/50/557946050.db2.gz YYEMYYCGVWNEKH-UHFFFAOYSA-N 1 0 374.448 2.256 20 30 FEEDRO C#Cc1cc(F)c(NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)c(F)c1 ZINC000375004040 557962818 /nfs/dbraw/zinc/96/28/18/557962818.db2.gz XDTFZYKZFYADDP-ZDUSSCGKSA-N 1 0 361.392 2.018 20 30 FEEDRO CC(C)[C@@](C)(C#N)NC(=O)CN(C)C1CC[NH+](CCc2ccncc2)CC1 ZINC000375011730 557963839 /nfs/dbraw/zinc/96/38/39/557963839.db2.gz HXJRGCGIVFAHAP-OAQYLSRUSA-N 1 0 371.529 2.075 20 30 FEEDRO C[N@@H+]1CC[C@H]2CCN(C(=O)CCCC(=O)Nc3ccccc3C#N)C[C@H]21 ZINC000375018186 557964801 /nfs/dbraw/zinc/96/48/01/557964801.db2.gz IULDCJLKDGWDPJ-MAUKXSAKSA-N 1 0 354.454 2.220 20 30 FEEDRO C=CCN(CC=C)C(=O)CN(C)C[C@@H]1CCC[N@@H+](CC)[C@H]1c1cnn(C)c1 ZINC000375267452 558001478 /nfs/dbraw/zinc/00/14/78/558001478.db2.gz VNHFZTWDFDCHRC-GHTZIAJQSA-N 1 0 373.545 2.326 20 30 FEEDRO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)N2CCC[N@@H+]([C@H](C)CO)CC2)cc1 ZINC000375492836 558036967 /nfs/dbraw/zinc/03/69/67/558036967.db2.gz GNJNMBQPGQVRSL-RTBURBONSA-N 1 0 372.513 2.019 20 30 FEEDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1S(=O)(=O)c1cccc(Cl)c1C#N ZINC000375635171 558060191 /nfs/dbraw/zinc/06/01/91/558060191.db2.gz AIISUQIHWXATFM-STQMWFEESA-N 1 0 353.875 2.459 20 30 FEEDRO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2ccnc(COC)n2)C1 ZINC000375759869 558078284 /nfs/dbraw/zinc/07/82/84/558078284.db2.gz PKNMZIKBYZEHLT-SJORKVTESA-N 1 0 358.486 2.392 20 30 FEEDRO N#Cc1ccc(N2CCC([NH2+][C@H]3CCCc4c3cnn4CCO)CC2)cc1 ZINC000375795867 558080833 /nfs/dbraw/zinc/08/08/33/558080833.db2.gz YJIGVPQNDFRXSV-FQEVSTJZSA-N 1 0 365.481 2.383 20 30 FEEDRO CC(C)(C)OC(=O)N1CCC(C[NH+]2CCC(n3cnc(C#N)n3)CC2)CC1 ZINC000375919968 558099960 /nfs/dbraw/zinc/09/99/60/558099960.db2.gz LQZNKGYWWRZLDB-UHFFFAOYSA-N 1 0 374.489 2.434 20 30 FEEDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)C3CCN(c4ccc(C#N)cc4F)CC3)C[C@H]21 ZINC000376075045 558123361 /nfs/dbraw/zinc/12/33/61/558123361.db2.gz KYDTYTDXLGFHDJ-OXQOHEQNSA-N 1 0 370.472 2.466 20 30 FEEDRO Cn1cc(CN(C2CC2)[C@H]2CCS(=O)(=O)C2)c(-c2ccc(C#N)cc2)n1 ZINC000376827775 558226576 /nfs/dbraw/zinc/22/65/76/558226576.db2.gz JZXLWKDBJYMTIV-SFHVURJKSA-N 1 0 370.478 2.110 20 30 FEEDRO CCN(CCC[NH+](C)C)C(=O)[C@@H]1CCCN(c2nc(C)ccc2C#N)C1 ZINC000376997824 558249737 /nfs/dbraw/zinc/24/97/37/558249737.db2.gz QTSNHWRFGDYSBE-GOSISDBHSA-N 1 0 357.502 2.278 20 30 FEEDRO C#CC[C@H](Cc1ccccc1)NC(=O)N1CCC[N@@H+](CCCOC)CC1 ZINC000377207494 558288751 /nfs/dbraw/zinc/28/87/51/558288751.db2.gz KSAAJAPDBDPAQL-HXUWFJFHSA-N 1 0 357.498 2.375 20 30 FEEDRO C=CCOc1ccc(CNC(=O)C(=O)Nc2ccc3c(c2)CN(C)C3)cc1 ZINC000377281235 558305241 /nfs/dbraw/zinc/30/52/41/558305241.db2.gz RYEPZPONSUFTRO-UHFFFAOYSA-N 1 0 365.433 2.452 20 30 FEEDRO CCCC(=O)NC[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000522418468 562198182 /nfs/dbraw/zinc/19/81/82/562198182.db2.gz UHQDETFBBAUWJZ-IRXDYDNUSA-N 1 0 362.518 2.346 20 30 FEEDRO CN1CC[C@H]([NH2+]CC(=O)N(CCC#N)CCC#N)[C@H]1c1ccc(Cl)cc1 ZINC000377685347 558396476 /nfs/dbraw/zinc/39/64/76/558396476.db2.gz ZXWKKPYPJCBHSH-PKOBYXMFSA-N 1 0 373.888 2.331 20 30 FEEDRO C#Cc1ccc(C[N@H+]2CCC[C@H](c3n[nH]cc3C(=O)NCCOC)C2)cc1 ZINC000377710901 558402855 /nfs/dbraw/zinc/40/28/55/558402855.db2.gz YHKXVBUIYXOIEY-SFHVURJKSA-N 1 0 366.465 2.147 20 30 FEEDRO N#CCCCCS(=O)(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000377770845 558416764 /nfs/dbraw/zinc/41/67/64/558416764.db2.gz QWQQALBUDWGGAF-RBUKOAKNSA-N 1 0 361.511 2.464 20 30 FEEDRO COc1ccc(C[NH2+][C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)cc1OCCCC#N ZINC000377838096 558432514 /nfs/dbraw/zinc/43/25/14/558432514.db2.gz VNXWQAILRGCQND-OIISXLGYSA-N 1 0 357.454 2.477 20 30 FEEDRO N#Cc1ccc(C[NH2+]C[C@H]2CCCN(c3nccn4cnnc34)C2)s1 ZINC000378194507 558500237 /nfs/dbraw/zinc/50/02/37/558500237.db2.gz ZQMCFSRVAPZKMC-CYBMUJFWSA-N 1 0 353.455 2.064 20 30 FEEDRO C[C@H]1CN(C(=O)c2cccc(SCC#N)c2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000378316993 558528087 /nfs/dbraw/zinc/52/80/87/558528087.db2.gz OMKLQQXVXAYFLP-QFBILLFUSA-N 1 0 372.538 2.400 20 30 FEEDRO FC(F)(F)Oc1ccc(C#CCN2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000378406863 558549358 /nfs/dbraw/zinc/54/93/58/558549358.db2.gz TYKYYVQNBNQQDU-MRXNPFEDSA-N 1 0 354.372 2.343 20 30 FEEDRO C[C@]1(CNS(=O)(=O)c2cccnc2C#N)CCC[N@@H+]1Cc1ccccc1 ZINC000398114422 558626190 /nfs/dbraw/zinc/62/61/90/558626190.db2.gz TYOWRQPIMNOTTM-LJQANCHMSA-N 1 0 370.478 2.286 20 30 FEEDRO CC(=O)N1CCC([NH2+][C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)CC1 ZINC000524300201 562226694 /nfs/dbraw/zinc/22/66/94/562226694.db2.gz HIFBHKXLDCFVIL-LLVKDONJSA-N 1 0 360.483 2.036 20 30 FEEDRO CCN(C[C@@H](C)C#N)S(=O)(=O)NCC1CC[NH+](CCC(C)C)CC1 ZINC000409481230 558695952 /nfs/dbraw/zinc/69/59/52/558695952.db2.gz AEDNYQDECQSFFE-INIZCTEOSA-N 1 0 358.552 2.060 20 30 FEEDRO CCN(C[C@@H](C)C#N)S(=O)(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000409550458 558702693 /nfs/dbraw/zinc/70/26/93/558702693.db2.gz FMJSUMVZEZUBRA-INIZCTEOSA-N 1 0 364.515 2.098 20 30 FEEDRO Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)[C@H](C)n1cnc(C#N)n1 ZINC000409660536 558710884 /nfs/dbraw/zinc/71/08/84/558710884.db2.gz ATSZWERSPBPWED-AWEZNQCLSA-N 1 0 370.482 2.207 20 30 FEEDRO C=CCN1CC[C@@H](N(C)C(=O)c2ccc(C[NH+]3CCSCC3)cc2)C1=O ZINC000410120131 558739724 /nfs/dbraw/zinc/73/97/24/558739724.db2.gz OZQNKZDFFOIHBD-GOSISDBHSA-N 1 0 373.522 2.094 20 30 FEEDRO CCN(CCC#N)S(=O)(=O)N1CCC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000410126574 558740327 /nfs/dbraw/zinc/74/03/27/558740327.db2.gz BINHXXLIFIIGFA-QGZVFWFLSA-N 1 0 364.515 2.063 20 30 FEEDRO CCN(CCC#N)S(=O)(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000410131576 558740727 /nfs/dbraw/zinc/74/07/27/558740727.db2.gz SDPIQAQYLNRORX-GDBMZVCRSA-N 1 0 370.544 2.201 20 30 FEEDRO C=CCCCN(C)C(=O)C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000410685796 558798531 /nfs/dbraw/zinc/79/85/31/558798531.db2.gz DYEMVUAJUJRDTP-WOJBJXKFSA-N 1 0 369.509 2.392 20 30 FEEDRO C=CCCN(C)C(=O)C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000410838629 558815562 /nfs/dbraw/zinc/81/55/62/558815562.db2.gz BKSJIXYSVINIHZ-RTBURBONSA-N 1 0 355.482 2.001 20 30 FEEDRO C[C@H](C#N)CN(C)C(=O)C(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000410900376 558821022 /nfs/dbraw/zinc/82/10/22/558821022.db2.gz QMMUHAILIPXDQP-IAGOWNOFSA-N 1 0 362.518 2.108 20 30 FEEDRO N#Cc1ccc(NC(=O)NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000525493407 562249231 /nfs/dbraw/zinc/24/92/31/562249231.db2.gz ZLASSHIACXYNJU-HXUWFJFHSA-N 1 0 350.422 2.317 20 30 FEEDRO COC(=O)C[C@](C)([NH2+]CCC(=O)Nc1cccc(C#N)c1)c1ccccn1 ZINC000411561247 558917287 /nfs/dbraw/zinc/91/72/87/558917287.db2.gz LXWDAWHRAIQRFP-FQEVSTJZSA-N 1 0 366.421 2.350 20 30 FEEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH2+][C@H](CO)[C@@H]2CCCOC2)c1 ZINC000411996671 559000769 /nfs/dbraw/zinc/00/07/69/559000769.db2.gz SLODUWGFYQFBDT-NLWGTHIKSA-N 1 0 373.497 2.316 20 30 FEEDRO N#Cc1ccc(OC[C@H](O)C[NH2+]C2(CO)C3CC4CC(C3)CC2C4)cc1 ZINC000412010733 559002143 /nfs/dbraw/zinc/00/21/43/559002143.db2.gz JBFHUXBKORPRBB-PRYZXDJCSA-N 1 0 356.466 2.075 20 30 FEEDRO C[NH+](C)CCOc1cc(CNC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)ccn1 ZINC000412237383 559021906 /nfs/dbraw/zinc/02/19/06/559021906.db2.gz VAHKXYIPLCSWPO-RBUKOAKNSA-N 1 0 364.449 2.314 20 30 FEEDRO N#Cc1c(F)cccc1C(=O)NCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000412770177 559055295 /nfs/dbraw/zinc/05/52/95/559055295.db2.gz GWXAKJSPDZYQBE-UHFFFAOYSA-N 1 0 367.424 2.454 20 30 FEEDRO C[N@H+](CCCc1[nH]nc(N)c1C#N)Cc1ccn(-c2ccccc2F)n1 ZINC000526082854 562266413 /nfs/dbraw/zinc/26/64/13/562266413.db2.gz ZRDBSGVLCWDZFC-UHFFFAOYSA-N 1 0 353.405 2.253 20 30 FEEDRO COc1ccc(C[C@@H](C)[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cn1 ZINC000414140691 559150624 /nfs/dbraw/zinc/15/06/24/559150624.db2.gz RDKKPMKFZRFYCP-DNVCBOLYSA-N 1 0 364.449 2.284 20 30 FEEDRO C=CCC1(CNC(=O)C(=O)Nc2ccc3c(c2)C[NH2+]CCO3)CCCC1 ZINC000415258039 559219153 /nfs/dbraw/zinc/21/91/53/559219153.db2.gz QSFPQXVSCAPPKZ-UHFFFAOYSA-N 1 0 357.454 2.360 20 30 FEEDRO N#Cc1cccc(Oc2ccc(NC(=O)C(=O)N3CCC[C@@H]([NH3+])C3)cc2)c1 ZINC000415265492 559219532 /nfs/dbraw/zinc/21/95/32/559219532.db2.gz FBHMKWKQNATQJP-OAHLLOKOSA-N 1 0 364.405 2.239 20 30 FEEDRO N#Cc1cc(NC(=O)C(=O)N2CCC([NH3+])CC2)ccc1Oc1ccccc1 ZINC000415275523 559220306 /nfs/dbraw/zinc/22/03/06/559220306.db2.gz YXRUXXFQABGPHW-UHFFFAOYSA-N 1 0 364.405 2.239 20 30 FEEDRO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)Nc2scc(C(C)(C)C)c2C#N)C1 ZINC000415279198 559220579 /nfs/dbraw/zinc/22/05/79/559220579.db2.gz HLZDQOOGDJQZJZ-LBPRGKRZSA-N 1 0 362.499 2.314 20 30 FEEDRO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)Nc2ccccc2S[C@H](C)CC#N)C1 ZINC000415282875 559220949 /nfs/dbraw/zinc/22/09/49/559220949.db2.gz NLTCKKWFZJNBCQ-CABCVRRESA-N 1 0 374.510 2.477 20 30 FEEDRO CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)NCC1([NH3+])CCCCCC1 ZINC000415310317 559223019 /nfs/dbraw/zinc/22/30/19/559223019.db2.gz BTBKRCWPKYAWCW-UHFFFAOYSA-N 1 0 359.474 2.221 20 30 FEEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)NCC[C@H](C)[NH3+] ZINC000415370044 559228341 /nfs/dbraw/zinc/22/83/41/559228341.db2.gz DFFPTZFWTZKMMX-AWEZNQCLSA-N 1 0 366.421 2.451 20 30 FEEDRO CC1(C)C[NH2+]CC[C@@H]1NC(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 ZINC000415437394 559236637 /nfs/dbraw/zinc/23/66/37/559236637.db2.gz BWUDNKGIDAYJDX-HNNXBMFYSA-N 1 0 372.860 2.907 20 30 FEEDRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 ZINC000415445462 559237717 /nfs/dbraw/zinc/23/77/17/559237717.db2.gz GUCKKXLZZJXHAM-VXGBXAGGSA-N 1 0 358.833 2.598 20 30 FEEDRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 ZINC000415445459 559237766 /nfs/dbraw/zinc/23/77/66/559237766.db2.gz GUCKKXLZZJXHAM-RYUDHWBXSA-N 1 0 358.833 2.598 20 30 FEEDRO CN(C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1)[C@H](C[NH3+])C1CC1 ZINC000415461512 559239670 /nfs/dbraw/zinc/23/96/70/559239670.db2.gz OAICPBXFMYFHKB-OAHLLOKOSA-N 1 0 358.833 2.598 20 30 FEEDRO N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)N[C@H]2CCCC[C@H]2C[NH3+])n1 ZINC000415461831 559239694 /nfs/dbraw/zinc/23/96/94/559239694.db2.gz OQMSZEJOWKSHOB-WFASDCNBSA-N 1 0 372.860 3.036 20 30 FEEDRO C[C@@H]1CCN(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)C[C@@H]1C[NH3+] ZINC000415466670 559240113 /nfs/dbraw/zinc/24/01/13/559240113.db2.gz ULCFDZZJTPBVKX-OCCSQVGLSA-N 1 0 372.860 2.846 20 30 FEEDRO N#Cc1ccc(-n2ccc(NC(=O)N[C@@H]3CCCC[C@H]3C[NH3+])n2)c(Cl)c1 ZINC000415471028 559240957 /nfs/dbraw/zinc/24/09/57/559240957.db2.gz ZTHKEAUUHXJOBF-DZGCQCFKSA-N 1 0 372.860 3.036 20 30 FEEDRO COCCOc1ccc(C#N)cc1NC(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000415472265 559240980 /nfs/dbraw/zinc/24/09/80/559240980.db2.gz VVJURFCRVQJTQP-LJQANCHMSA-N 1 0 358.442 2.191 20 30 FEEDRO CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000415529685 559246789 /nfs/dbraw/zinc/24/67/89/559246789.db2.gz XHLKDHMCVRPFRB-MRXNPFEDSA-N 1 0 371.485 2.044 20 30 FEEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000415584475 559252710 /nfs/dbraw/zinc/25/27/10/559252710.db2.gz SOQCAMZNFUJXLG-AUUYWEPGSA-N 1 0 374.510 2.383 20 30 FEEDRO N#Cc1ccc(NC(=O)N[C@@H]2C[NH2+]CCC2(F)F)cc1Br ZINC000415685254 559261650 /nfs/dbraw/zinc/26/16/50/559261650.db2.gz BGWJHVJMGCWHOV-LLVKDONJSA-N 1 0 359.174 2.439 20 30 FEEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000415773033 559269871 /nfs/dbraw/zinc/26/98/71/559269871.db2.gz UZTMSMNAVXLROP-QLFBSQMISA-N 1 0 372.494 2.230 20 30 FEEDRO Cc1ccc(C#N)cc1NC(=O)C(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1 ZINC000415848360 559278051 /nfs/dbraw/zinc/27/80/51/559278051.db2.gz CYLAQARELHHCRK-KRWDZBQOSA-N 1 0 354.454 2.042 20 30 FEEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000415874188 559280533 /nfs/dbraw/zinc/28/05/33/559280533.db2.gz WFMZFXDPYRCSFX-KGLIPLIRSA-N 1 0 360.483 2.135 20 30 FEEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000415874190 559280590 /nfs/dbraw/zinc/28/05/90/559280590.db2.gz WFMZFXDPYRCSFX-UONOGXRCSA-N 1 0 360.483 2.135 20 30 FEEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000415901801 559281947 /nfs/dbraw/zinc/28/19/47/559281947.db2.gz XSKSWNDMXJLJGJ-QLFBSQMISA-N 1 0 372.494 2.087 20 30 FEEDRO C=CCc1cc(CNC(=O)N[C@H]2C[NH2+]CCC2(F)F)cc(OC)c1OC ZINC000417377695 559359952 /nfs/dbraw/zinc/35/99/52/559359952.db2.gz DJVQFKKDPVNJIS-HNNXBMFYSA-N 1 0 369.412 2.229 20 30 FEEDRO C[C@H]([NH3+])C1CCN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)CC1 ZINC000417572748 559367306 /nfs/dbraw/zinc/36/73/06/559367306.db2.gz GLQXFLUCOSYZTD-YOEHRIQHSA-N 1 0 373.476 2.435 20 30 FEEDRO C=CCCC[C@H](C)NC(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000417982204 559384825 /nfs/dbraw/zinc/38/48/25/559384825.db2.gz MXHXEZRVBRLPHY-YESZJQIVSA-N 1 0 350.507 2.021 20 30 FEEDRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000418012115 559386512 /nfs/dbraw/zinc/38/65/12/559386512.db2.gz RSQOZUNIDPSLNQ-ZWKOTPCHSA-N 1 0 371.485 2.068 20 30 FEEDRO COc1ccc(CN2C[C@H](C)[N@H+](CCO)C[C@H]2C)cc1OCCCC#N ZINC000418123737 559391020 /nfs/dbraw/zinc/39/10/20/559391020.db2.gz YPNUTKONAKRMAN-DLBZAZTESA-N 1 0 361.486 2.265 20 30 FEEDRO C=CCC1(CNC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CCCC1 ZINC000418262454 559395868 /nfs/dbraw/zinc/39/58/68/559395868.db2.gz QRKPBFUWFXYHBG-CQSZACIVSA-N 1 0 362.440 2.258 20 30 FEEDRO C=CCC[C@H](CO)NC(=O)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000418576015 559406944 /nfs/dbraw/zinc/40/69/44/559406944.db2.gz XFUNBZGCMSYRMR-CPUCHLNUSA-N 1 0 353.413 2.037 20 30 FEEDRO COCC1(CNC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)CC[NH2+]CC1 ZINC000418627650 559408447 /nfs/dbraw/zinc/40/84/47/559408447.db2.gz BCLOKJCWQJOGBL-OALUTQOASA-N 1 0 370.497 2.484 20 30 FEEDRO COCC1(CNC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)CC[NH2+]CC1 ZINC000418627651 559408510 /nfs/dbraw/zinc/40/85/10/559408510.db2.gz BCLOKJCWQJOGBL-RBUKOAKNSA-N 1 0 370.497 2.484 20 30 FEEDRO C[C@@H](CCC[NH3+])NC(=O)N1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000418686538 559411269 /nfs/dbraw/zinc/41/12/69/559411269.db2.gz KETSERDLMJFQBU-HNNXBMFYSA-N 1 0 366.469 2.065 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NC[C@@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000418812334 559417093 /nfs/dbraw/zinc/41/70/93/559417093.db2.gz BFUVPQXAKKFJJQ-QRVBRYPASA-N 1 0 373.497 2.023 20 30 FEEDRO C[C@@H]([NH3+])c1ccc(CNC(=O)C(=O)N[C@H](CCC#N)c2ccccc2)cc1 ZINC000419469335 559444022 /nfs/dbraw/zinc/44/40/22/559444022.db2.gz CSCCHUYIHBBXFM-DNVCBOLYSA-N 1 0 364.449 2.484 20 30 FEEDRO C[N@H+](CCN1CCN(C(=O)NCC2(C#N)CCC2)CC1)Cc1ccccc1 ZINC000419622251 559450349 /nfs/dbraw/zinc/45/03/49/559450349.db2.gz GLOARGPZAIWGOB-UHFFFAOYSA-N 1 0 369.513 2.139 20 30 FEEDRO CNC(=O)[C@@H]1CC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000420969895 559515599 /nfs/dbraw/zinc/51/55/99/559515599.db2.gz FOVVBGBLWDEMRP-DLBZAZTESA-N 1 0 356.470 2.007 20 30 FEEDRO CC[NH+]1CCC(N2CCCN(C(=O)c3cccc(F)c3C#N)CC2)CC1 ZINC000422013417 559560514 /nfs/dbraw/zinc/56/05/14/559560514.db2.gz FLNHHIQUOGYDTI-UHFFFAOYSA-N 1 0 358.461 2.330 20 30 FEEDRO CC[NH+]1CCC(N2CCCN(C(=O)c3ccc(CC#N)cc3)CC2)CC1 ZINC000422025914 559561376 /nfs/dbraw/zinc/56/13/76/559561376.db2.gz SVEJNICVVPCOSK-UHFFFAOYSA-N 1 0 354.498 2.385 20 30 FEEDRO C[C@H](NC(=O)C(=O)NCC(C)(C)CC#N)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000422432654 559587948 /nfs/dbraw/zinc/58/79/48/559587948.db2.gz XMHKEXRLVPDTLO-WMZOPIPTSA-N 1 0 370.497 2.069 20 30 FEEDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C(=O)NCC(C)(C)CC#N)C1 ZINC000422478799 559590863 /nfs/dbraw/zinc/59/08/63/559590863.db2.gz IQEHOUVGTOXUSC-SJORKVTESA-N 1 0 362.518 2.155 20 30 FEEDRO C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000422529908 559593140 /nfs/dbraw/zinc/59/31/40/559593140.db2.gz PTIQFSMVAPOAMV-WOJBJXKFSA-N 1 0 369.509 2.377 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000423019176 559615206 /nfs/dbraw/zinc/61/52/06/559615206.db2.gz UJEMZGJKHQYXGL-QGZVFWFLSA-N 1 0 361.511 2.253 20 30 FEEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CCC[C@@H](C[NH2+]C)C1 ZINC000423026576 559615580 /nfs/dbraw/zinc/61/55/80/559615580.db2.gz QHKOLDHKFNUFST-ZDUSSCGKSA-N 1 0 369.918 2.374 20 30 FEEDRO C=CCN(CC1CCCCC1)C(=O)C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000423306021 559624853 /nfs/dbraw/zinc/62/48/53/559624853.db2.gz DESXRBWTRPXVAT-LJQANCHMSA-N 1 0 361.530 2.429 20 30 FEEDRO C=CCN(CC1CCCCC1)C(=O)C(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000423307229 559625135 /nfs/dbraw/zinc/62/51/35/559625135.db2.gz GGNGHVDWXVFVFG-RTBURBONSA-N 1 0 361.530 2.429 20 30 FEEDRO N#CCCC[C@@H]([NH3+])C(=O)N1CCCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000424101008 559654785 /nfs/dbraw/zinc/65/47/85/559654785.db2.gz IUVGAYFMLPADMA-MRXNPFEDSA-N 1 0 362.861 2.036 20 30 FEEDRO N#CCCC[C@@H]([NH3+])C(=O)N1CCC[C@H](NC(=O)c2cc3ccccc3o2)C1 ZINC000424141393 559655877 /nfs/dbraw/zinc/65/58/77/559655877.db2.gz UCQLFNKHSKJXHA-JKSUJKDBSA-N 1 0 368.437 2.175 20 30 FEEDRO COC(=O)c1cc(NC(=O)[C@@H]([NH3+])CCCC#N)cc(Br)c1F ZINC000424185677 559657052 /nfs/dbraw/zinc/65/70/52/559657052.db2.gz HAXZQNHQADSKRM-NSHDSACASA-N 1 0 372.194 2.334 20 30 FEEDRO C=CCCn1cc(C(=O)NC[C@H](c2ccc(OC)cc2)[NH+]2CCCC2)nn1 ZINC000424540922 559668918 /nfs/dbraw/zinc/66/89/18/559668918.db2.gz JKBOJRNFXXYSHH-LJQANCHMSA-N 1 0 369.469 2.430 20 30 FEEDRO COCC(C)(C)[NH+]1CCN(c2ncc(Br)cc2C#N)CC1 ZINC000425283962 559694700 /nfs/dbraw/zinc/69/47/00/559694700.db2.gz URNJXEAPRRFCSC-UHFFFAOYSA-N 1 0 353.264 2.263 20 30 FEEDRO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000425383942 559699236 /nfs/dbraw/zinc/69/92/36/559699236.db2.gz LFQJVOHASHTWKE-WMZOPIPTSA-N 1 0 368.481 2.022 20 30 FEEDRO C=CCn1cc(CNC(=O)NCc2cccc(C[NH+]3CCCC3)c2)nn1 ZINC000425395362 559700000 /nfs/dbraw/zinc/70/00/00/559700000.db2.gz NHPAEUHRTLMROG-UHFFFAOYSA-N 1 0 354.458 2.059 20 30 FEEDRO C=CCn1cc(CNC(=O)NC[C@@H](c2ccsc2)[NH+](CC)CC)nn1 ZINC000425404534 559700415 /nfs/dbraw/zinc/70/04/15/559700415.db2.gz LUHAJKKCDZHNBP-INIZCTEOSA-N 1 0 362.503 2.408 20 30 FEEDRO N#C[C@H]1CC[C@@H](NC(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000425417175 559701225 /nfs/dbraw/zinc/70/12/25/559701225.db2.gz LHQXFQWCKYIGBC-ZWKOTPCHSA-N 1 0 355.486 2.190 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N=c2ccn(CCC(F)(F)F)[nH]2)CC1 ZINC000425705364 559715476 /nfs/dbraw/zinc/71/54/76/559715476.db2.gz CDPYMYNPNIMGLR-UHFFFAOYSA-N 1 0 359.396 2.998 20 30 FEEDRO C=CCCCS(=O)(=O)[N-]c1ncn(Cc2ncc(C)c(OC)c2C)n1 ZINC000427794832 559762732 /nfs/dbraw/zinc/76/27/32/559762732.db2.gz WBENHPCZWJTGJV-UHFFFAOYSA-N 1 0 365.459 2.055 20 30 FEEDRO Cc1cc(C)cc(OC[C@H](O)C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)c1 ZINC000428779722 559783113 /nfs/dbraw/zinc/78/31/13/559783113.db2.gz CZXNRRVNRRKMHB-RTBURBONSA-N 1 0 367.449 2.463 20 30 FEEDRO N#Cc1ccc(O[C@H]2CC[N@@H+](CCOc3cccc([N+](=O)[O-])c3)C2)nc1 ZINC000428786462 559783290 /nfs/dbraw/zinc/78/32/90/559783290.db2.gz NMEOTAVLAFPYEF-KRWDZBQOSA-N 1 0 354.366 2.394 20 30 FEEDRO CCc1ccc([C@H](CNS(=O)(=O)N(C)CCC#N)[NH+](CC)CC)cc1 ZINC000431584545 559841946 /nfs/dbraw/zinc/84/19/46/559841946.db2.gz ITJDISPAOLZYRD-SFHVURJKSA-N 1 0 366.531 2.312 20 30 FEEDRO Cc1c(C#N)cccc1NC(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000431862413 559847570 /nfs/dbraw/zinc/84/75/70/559847570.db2.gz AHYANXHGFKMTNW-GOSISDBHSA-N 1 0 362.433 2.196 20 30 FEEDRO N#CCCC[C@@H]([NH2+]CC(=O)N1CCN(C(=O)C2CC2)CC1)c1ccccc1 ZINC000433016022 559870092 /nfs/dbraw/zinc/87/00/92/559870092.db2.gz MXUCDIVKGOQGKL-LJQANCHMSA-N 1 0 368.481 2.092 20 30 FEEDRO C[C@@H](CNS(=O)(=O)c1ccc(C#N)c(Br)c1)[N@H+](C)C1CC1 ZINC000433091378 559871486 /nfs/dbraw/zinc/87/14/86/559871486.db2.gz KXMCHKSRTLOSEH-JTQLQIEISA-N 1 0 372.288 2.082 20 30 FEEDRO C[C@H](CCN1CCOCC1)[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000433305635 559876431 /nfs/dbraw/zinc/87/64/31/559876431.db2.gz OGFSKUCNFROGNR-QGZVFWFLSA-N 1 0 368.485 2.059 20 30 FEEDRO C[N@H+](CCNC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C)C1CCCCC1 ZINC000434579167 559902826 /nfs/dbraw/zinc/90/28/26/559902826.db2.gz XMEMBHUYXFYVNG-UHFFFAOYSA-N 1 0 373.501 2.434 20 30 FEEDRO CC(C)(COc1ccc(C(F)(F)F)cn1)[NH2+]CC(=O)NC1(C#N)CCC1 ZINC000527377931 562287144 /nfs/dbraw/zinc/28/71/44/562287144.db2.gz JVQNIEIEWPMDTJ-UHFFFAOYSA-N 1 0 370.375 2.410 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@@H]1CC[N@@H+](CCCOCC)C[C@H]1C ZINC000437735056 559968678 /nfs/dbraw/zinc/96/86/78/559968678.db2.gz JGHIODUNYDBQSP-MKXGPGLRSA-N 1 0 367.534 2.404 20 30 FEEDRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2C(=O)C1(c2cccc(C#N)c2)CC1 ZINC000437956391 559972130 /nfs/dbraw/zinc/97/21/30/559972130.db2.gz OYOYOBZCJAXXIH-CEXWTWQISA-N 1 0 353.466 2.300 20 30 FEEDRO C=C(C)[C@H]1OCC[C@H]1CNC(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000437985738 559972561 /nfs/dbraw/zinc/97/25/61/559972561.db2.gz MMRSKKWZFHAFHG-FUHWJXTLSA-N 1 0 353.507 2.110 20 30 FEEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CC[N@H+](C)CC[C@H]1C ZINC000439361558 559992924 /nfs/dbraw/zinc/99/29/24/559992924.db2.gz RVWONKDABQQCSY-HUUCEWRRSA-N 1 0 374.510 2.429 20 30 FEEDRO CC(C)(C)OC(=O)[C@@]12CCC[C@H]1C[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)C2 ZINC000439485484 559995620 /nfs/dbraw/zinc/99/56/20/559995620.db2.gz IGMNEWGURKLBDY-RYGJVYDSSA-N 1 0 361.486 2.239 20 30 FEEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+](C)CCCO)c1C#N ZINC000440968493 560020475 /nfs/dbraw/zinc/02/04/75/560020475.db2.gz VZVNHEWPJWPBEA-UHFFFAOYSA-N 1 0 358.442 2.261 20 30 FEEDRO CCOc1ccc(C#N)cc1NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000443368518 560082082 /nfs/dbraw/zinc/08/20/82/560082082.db2.gz JMSWYZXUEGSDBK-GOEBONIOSA-N 1 0 372.469 2.227 20 30 FEEDRO Cc1cc(S(=O)(=O)NCc2ccc(CC[NH+](C)C)cc2)ccc1C#N ZINC000443909501 560095856 /nfs/dbraw/zinc/09/58/56/560095856.db2.gz WXJHDJSGVMUVJN-UHFFFAOYSA-N 1 0 357.479 2.449 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CC[C@H](OCCOC)C1 ZINC000444749823 560119659 /nfs/dbraw/zinc/11/96/59/560119659.db2.gz VSPPXTSBWYYESP-HOTGVXAUSA-N 1 0 352.500 2.389 20 30 FEEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@H](CO)[C@H]1CCCO1 ZINC000447914905 560172920 /nfs/dbraw/zinc/17/29/20/560172920.db2.gz QEINKXNVTLZOMV-FVQBIDKESA-N 1 0 363.483 2.006 20 30 FEEDRO CN(C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)C1CC[NH+](C)CC1 ZINC000448558672 560190172 /nfs/dbraw/zinc/19/01/72/560190172.db2.gz OOIVTXJYDOVXQH-CQSZACIVSA-N 1 0 374.872 2.117 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)NCCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000448737683 560197355 /nfs/dbraw/zinc/19/73/55/560197355.db2.gz PDYXYDKRMDLRBO-RTWAWAEBSA-N 1 0 371.525 2.292 20 30 FEEDRO COc1cc(C[NH2+]CCn2cc(Br)ccc2=O)ccc1C#N ZINC000449380804 560227718 /nfs/dbraw/zinc/22/77/18/560227718.db2.gz WYSNXVMXIOUDGK-UHFFFAOYSA-N 1 0 362.227 2.281 20 30 FEEDRO N#Cc1c(Br)cccc1OCC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000449803959 560240598 /nfs/dbraw/zinc/24/05/98/560240598.db2.gz LHAWNEDZTMAVMD-LLVKDONJSA-N 1 0 364.243 2.052 20 30 FEEDRO C[C@H]1CN(C(=O)COc2ccc(C#N)c(Br)c2)C[C@@H]1[NH+](C)C ZINC000449985668 560247098 /nfs/dbraw/zinc/24/70/98/560247098.db2.gz MPJULFATWHRTJJ-NHYWBVRUSA-N 1 0 366.259 2.108 20 30 FEEDRO C[C@H]1CN(C(=O)COc2cccc(Br)c2C#N)C[C@H]1[NH+](C)C ZINC000449988290 560247515 /nfs/dbraw/zinc/24/75/15/560247515.db2.gz SCTREWLMLVWNKJ-SMDDNHRTSA-N 1 0 366.259 2.108 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000450070510 560249857 /nfs/dbraw/zinc/24/98/57/560249857.db2.gz ZRRWVMAABHETLO-RWQQGDIJSA-N 1 0 350.503 2.315 20 30 FEEDRO C[NH+](C)C[C@@H](O)COc1ccc(NC(=O)[C@]2(C#N)CC23CCCC3)cc1 ZINC000450134227 560251702 /nfs/dbraw/zinc/25/17/02/560251702.db2.gz OIYCKUNUHYKPAZ-OXQOHEQNSA-N 1 0 357.454 2.400 20 30 FEEDRO Cc1cccc(N2CC[NH+](CCCCNc3nccc(C#N)n3)CC2)c1 ZINC000450250036 560255715 /nfs/dbraw/zinc/25/57/15/560255715.db2.gz FXNYRQQRBMLJRE-UHFFFAOYSA-N 1 0 350.470 2.671 20 30 FEEDRO N#Cc1cnc(NCc2ccccc2C[NH+]2CCC(O)CC2)c([N+](=O)[O-])c1 ZINC000450359166 560259725 /nfs/dbraw/zinc/25/97/25/560259725.db2.gz VFMUIGBBUNJZRN-UHFFFAOYSA-N 1 0 367.409 2.430 20 30 FEEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)c1 ZINC000450856480 560275770 /nfs/dbraw/zinc/27/57/70/560275770.db2.gz ITVUTTZDZNRCFC-KSZLIROESA-N 1 0 360.479 2.269 20 30 FEEDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)S(=O)(=O)c1ccc(CC#N)cc1Cl ZINC000451238809 560295106 /nfs/dbraw/zinc/29/51/06/560295106.db2.gz DXPDJKIYTBXUEY-WFASDCNBSA-N 1 0 355.891 2.367 20 30 FEEDRO C[N@@H+]1CC[C@H]2CCN(S(=O)(=O)c3ccc(CC#N)cc3Cl)[C@H]2C1 ZINC000451382678 560303703 /nfs/dbraw/zinc/30/37/03/560303703.db2.gz ITABEZXUSLFEGR-ZFWWWQNUSA-N 1 0 353.875 2.121 20 30 FEEDRO CC(C)[C@H]1CN(S(=O)(=O)c2ccc(CC#N)cc2Cl)CCN1C ZINC000451460392 560308381 /nfs/dbraw/zinc/30/83/81/560308381.db2.gz RKWRWBJRWHONJM-OAHLLOKOSA-N 1 0 355.891 2.367 20 30 FEEDRO C[N@@H+]1CC[C@]2(CCN(S(=O)(=O)c3ccc(CC#N)cc3Cl)C2)C1 ZINC000451575884 560315806 /nfs/dbraw/zinc/31/58/06/560315806.db2.gz UFJNOMBLYWPSFN-INIZCTEOSA-N 1 0 353.875 2.122 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](C)C(=O)Nc1cccc(C(=O)N(CC)CC)c1 ZINC000451604548 560317001 /nfs/dbraw/zinc/31/70/01/560317001.db2.gz HKFMLJMETWHZHB-QGTPRVQTSA-N 1 0 359.470 2.429 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000451614150 560317371 /nfs/dbraw/zinc/31/73/71/560317371.db2.gz PEILUCWIQKVADP-ILXRZTDVSA-N 1 0 351.244 2.488 20 30 FEEDRO C=CCn1c([C@@H](C)OCCOC)nnc1N1CC[NH+]([C@H](C)CC)CC1 ZINC000453430567 560386595 /nfs/dbraw/zinc/38/65/95/560386595.db2.gz DKDUXLVAHGYILU-HZPDHXFCSA-N 1 0 351.495 2.109 20 30 FEEDRO C=C(C)Cn1c([C@@H]2CC[C@H](C)O2)nnc1N1CC[N@@H+](CCOC)[C@@H](C)C1 ZINC000453472079 560387654 /nfs/dbraw/zinc/38/76/54/560387654.db2.gz VTJUPCWBKAQJCL-ULQDDVLXSA-N 1 0 363.506 2.251 20 30 FEEDRO Cc1cc(C#N)cc(NC(=O)C(=O)NC[C@@H](c2cccs2)[NH+](C)C)c1 ZINC000453584601 560389704 /nfs/dbraw/zinc/38/97/04/560389704.db2.gz WPENNVIJXXJPES-HNNXBMFYSA-N 1 0 356.451 2.286 20 30 FEEDRO C=CCC[C@H](CO)NC(=O)C(=O)Nc1cccc2c1C[N@H+]([C@@H](C)C(C)C)C2 ZINC000454048758 560424852 /nfs/dbraw/zinc/42/48/52/560424852.db2.gz BHKRJFHOGJTCOL-DOTOQJQBSA-N 1 0 373.497 2.429 20 30 FEEDRO CC[NH+]1CCN(CC(C)(C)NC(=O)N[C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000454566841 560449722 /nfs/dbraw/zinc/44/97/22/560449722.db2.gz PPDCWLVXEBWNSN-INIZCTEOSA-N 1 0 357.502 2.335 20 30 FEEDRO C=CC[C@H](CC)NC(=O)N1CCC[C@H](C[N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC000454912644 560463219 /nfs/dbraw/zinc/46/32/19/560463219.db2.gz NCFJYKVQMDKIEA-MOPGFXCFSA-N 1 0 364.534 2.317 20 30 FEEDRO CC[C@@H](C)[NH+]1CCN(C(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1 ZINC000455142891 560471590 /nfs/dbraw/zinc/47/15/90/560471590.db2.gz MLJUVKHSUKEIHE-CQSZACIVSA-N 1 0 353.430 2.087 20 30 FEEDRO CC[NH+]1CCN([C@H](C)CNC(=O)C(C)(C)Cc2ccc(C#N)cc2)CC1 ZINC000455632606 560489903 /nfs/dbraw/zinc/48/99/03/560489903.db2.gz BODJCBKVCUOXCA-QGZVFWFLSA-N 1 0 356.514 2.269 20 30 FEEDRO CC1(C)CCC[N@@H+]1CCNC(=O)[C@@H]1CCC(=O)N1Cc1cccc(C#N)c1 ZINC000457056429 560546108 /nfs/dbraw/zinc/54/61/08/560546108.db2.gz NWDUDRFTAZTODD-SFHVURJKSA-N 1 0 368.481 2.040 20 30 FEEDRO Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NCC[N@@H+]1CCCC1(C)C ZINC000457081446 560547643 /nfs/dbraw/zinc/54/76/43/560547643.db2.gz VQBRNQYRBNUULI-UHFFFAOYSA-N 1 0 368.485 2.141 20 30 FEEDRO C=CCC[C@@H](CO)NC(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000457447154 560567381 /nfs/dbraw/zinc/56/73/81/560567381.db2.gz XZDPRGUODROLSW-HKUYNNGSSA-N 1 0 361.486 2.458 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N2CC[C@@](C)(C(=O)OC(C)(C)C)C2)CC1 ZINC000458346142 560615861 /nfs/dbraw/zinc/61/58/61/560615861.db2.gz VWOMNQFXBGODDA-LJQANCHMSA-N 1 0 351.491 2.400 20 30 FEEDRO N#CC[C@@H]1CC[C@H](NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)C1 ZINC000459006920 560661538 /nfs/dbraw/zinc/66/15/38/560661538.db2.gz JFCGQOYWKONRRN-FRYIKTPZSA-N 1 0 370.497 2.251 20 30 FEEDRO CCc1ncc(CNC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)o1 ZINC000459049895 560663823 /nfs/dbraw/zinc/66/38/23/560663823.db2.gz LWGJKSUHHNJSHR-UHFFFAOYSA-N 1 0 355.442 2.382 20 30 FEEDRO COc1cccnc1CNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000459119050 560667857 /nfs/dbraw/zinc/66/78/57/560667857.db2.gz PSKBJKOQNWHQBR-UHFFFAOYSA-N 1 0 367.453 2.235 20 30 FEEDRO CO[C@H]1C[C@@H](NC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)C12CCC2 ZINC000459300425 560678374 /nfs/dbraw/zinc/67/83/74/560678374.db2.gz KDCSQSBDCQFHLK-MOPGFXCFSA-N 1 0 368.481 2.343 20 30 FEEDRO CCC[C@H]([NH2+]CC(=O)N1CCN(c2oc(C)nc2C#N)CC1)C1CCC1 ZINC000459770340 560707234 /nfs/dbraw/zinc/70/72/34/560707234.db2.gz CHCNKMKULNGPEY-INIZCTEOSA-N 1 0 359.474 2.062 20 30 FEEDRO C=C(C)Cn1c([C@@H](C)OCCOC)nnc1N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000460768345 560751413 /nfs/dbraw/zinc/75/14/13/560751413.db2.gz KYNSOEZIIMOWRQ-WBVHZDCISA-N 1 0 363.506 2.251 20 30 FEEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cnn(-c3ncccc3C#N)c2)C[C@H]1C ZINC000462087805 560796279 /nfs/dbraw/zinc/79/62/79/560796279.db2.gz FBNSTINESUNMSL-RHSMWYFYSA-N 1 0 367.457 2.475 20 30 FEEDRO C[C@@H](C(=O)NCc1ccncc1OCC[NH+](C)C)c1cccc(C#N)c1 ZINC000462444339 560810269 /nfs/dbraw/zinc/81/02/69/560810269.db2.gz KASVDNGXSVZFMS-OAHLLOKOSA-N 1 0 352.438 2.314 20 30 FEEDRO COc1cc(CNC(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)ccc1C#N ZINC000462469327 560811234 /nfs/dbraw/zinc/81/12/34/560811234.db2.gz ARMHOCQDDGUINW-KRWDZBQOSA-N 1 0 356.470 2.440 20 30 FEEDRO COc1cc(C#N)ccc1S(=O)(=O)N(C)C1CC[NH+](C(C)C)CC1 ZINC000463700825 560821801 /nfs/dbraw/zinc/82/18/01/560821801.db2.gz JQSMAAJXBBWWRT-UHFFFAOYSA-N 1 0 351.472 2.060 20 30 FEEDRO C=CCC[N@@H+](C)CC(=O)Nc1cccc(S(=O)(=O)N(CC)CC)c1 ZINC000467295181 560907904 /nfs/dbraw/zinc/90/79/04/560907904.db2.gz JXJFSPTXUALMJP-UHFFFAOYSA-N 1 0 353.488 2.164 20 30 FEEDRO CN(CC(=O)N(CCC#N)CCC[NH+](C)C)c1nc2ccccc2s1 ZINC000467612953 560913674 /nfs/dbraw/zinc/91/36/74/560913674.db2.gz BQZYTDRSOUUXRK-UHFFFAOYSA-N 1 0 359.499 2.426 20 30 FEEDRO CCOC(=O)[C@@](C)(C[NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1)c1ccccc1 ZINC000468778138 560938657 /nfs/dbraw/zinc/93/86/57/560938657.db2.gz AVIVARZDMRISFW-NQIIRXRSSA-N 1 0 365.433 2.195 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)CCC(=O)c1ccc(Cl)cn1 ZINC000469725009 560963019 /nfs/dbraw/zinc/96/30/19/560963019.db2.gz KKFYVKAJCWAZFP-UHFFFAOYSA-N 1 0 350.850 2.392 20 30 FEEDRO C[C@@H]1C[N@H+](CCCNC(=O)CSCc2ccc(C#N)cc2)CCCO1 ZINC000470062124 560973180 /nfs/dbraw/zinc/97/31/80/560973180.db2.gz MPZZYTLPWZQYQO-MRXNPFEDSA-N 1 0 361.511 2.409 20 30 FEEDRO CC[NH+](CC)CCO[C@H]1CCN([C@@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000472284163 561023134 /nfs/dbraw/zinc/02/31/34/561023134.db2.gz KSFVPMXVDJSMIK-ROUUACIJSA-N 1 0 364.534 2.150 20 30 FEEDRO CC[NH+](CC)CCCCNC(=O)[C@H]1CCC(=O)N1Cc1cccc(C#N)c1 ZINC000473620265 561054223 /nfs/dbraw/zinc/05/42/23/561054223.db2.gz OHPBKZLUOZFLJF-LJQANCHMSA-N 1 0 370.497 2.287 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)NC[C@@H]1CCCN(C(C)=O)C1)C(C)C ZINC000474053339 561064429 /nfs/dbraw/zinc/06/44/29/561064429.db2.gz CWZIWFIUFAXNTO-RBUKOAKNSA-N 1 0 364.534 2.243 20 30 FEEDRO CC[NH+](CC)[C@H](CNC(=O)c1cnn(C)c1C#N)c1cccc(OC)c1 ZINC000474436889 561074067 /nfs/dbraw/zinc/07/40/67/561074067.db2.gz WLTSNVAVZCLERA-GOSISDBHSA-N 1 0 355.442 2.113 20 30 FEEDRO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)c3cnn(C)c3C#N)cc2)C1 ZINC000474909126 561085320 /nfs/dbraw/zinc/08/53/20/561085320.db2.gz XQZUJSQPLRGUJP-HNNXBMFYSA-N 1 0 351.454 2.454 20 30 FEEDRO Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)c1cnn(C)c1C#N ZINC000475463823 561097936 /nfs/dbraw/zinc/09/79/36/561097936.db2.gz NKSCBROHYMGKRS-UHFFFAOYSA-N 1 0 355.467 2.401 20 30 FEEDRO CC[NH+](CC)CCO[C@@H]1CCN(S(=O)(=O)CC2(C#N)CCCCC2)C1 ZINC000476341058 561117151 /nfs/dbraw/zinc/11/71/51/561117151.db2.gz VFYZNTMZJUMGQU-QGZVFWFLSA-N 1 0 371.547 2.223 20 30 FEEDRO C[NH+](C)CCn1cc(NC(=O)C[C@@H](CC#N)c2ccccc2)ccc1=O ZINC000476503394 561121068 /nfs/dbraw/zinc/12/10/68/561121068.db2.gz JLMFOQCMWKXMPV-QGZVFWFLSA-N 1 0 352.438 2.436 20 30 FEEDRO N#Cc1ccccc1OC[C@@H](O)CN1CC[NH+](CC2CCCCC2)CC1 ZINC000528361052 562324899 /nfs/dbraw/zinc/32/48/99/562324899.db2.gz SIKZRSIDXCMNCW-FQEVSTJZSA-N 1 0 357.498 2.496 20 30 FEEDRO C[N@@H+]1CCN(CC#CCN2C(=O)c3ccccc3C2=O)C2(CCCCC2)C1 ZINC000528399171 562326934 /nfs/dbraw/zinc/32/69/34/562326934.db2.gz RMHWPWHSIKSGOZ-UHFFFAOYSA-N 1 0 365.477 2.236 20 30 FEEDRO N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000528435093 562329157 /nfs/dbraw/zinc/32/91/57/562329157.db2.gz ZADFPKRWTTWPEF-DLBZAZTESA-N 1 0 367.453 2.173 20 30 FEEDRO O=C1c2ccccc2C(=O)N1CC#CCN1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000528504144 562332850 /nfs/dbraw/zinc/33/28/50/562332850.db2.gz BPYHFAONGNIAMU-RBUKOAKNSA-N 1 0 364.445 2.320 20 30 FEEDRO COCc1ccc(NC(=O)N2CCN(c3cc[nH+]cc3)CC2)cc1C#N ZINC000529216216 562365276 /nfs/dbraw/zinc/36/52/76/562365276.db2.gz HKLSQONCOUMREM-UHFFFAOYSA-N 1 0 351.410 2.454 20 30 FEEDRO CCOc1ccc(C#N)cc1NC(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000530659411 562419479 /nfs/dbraw/zinc/41/94/79/562419479.db2.gz OIIXGQPAUQXBNJ-UHFFFAOYSA-N 1 0 359.474 2.104 20 30 FEEDRO C[NH+](C)CCn1c2cc(NC(=O)Cc3cccc(C#N)c3)ccc2oc1=O ZINC000531386405 562444389 /nfs/dbraw/zinc/44/43/89/562444389.db2.gz ZXUGGOMJJHDOGI-UHFFFAOYSA-N 1 0 364.405 2.209 20 30 FEEDRO C=CCc1ccccc1OC[C@H](O)C[N@@H+](CC(C)(C)O)C1CCOCC1 ZINC000531415927 562445060 /nfs/dbraw/zinc/44/50/60/562445060.db2.gz FODQWXXDNCUYHA-LJQANCHMSA-N 1 0 363.498 2.407 20 30 FEEDRO CC(C)Oc1ccc(NC(=O)C(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)cc1C#N ZINC000532938208 562493017 /nfs/dbraw/zinc/49/30/17/562493017.db2.gz PWHFXSWKVVIMKJ-OAHLLOKOSA-N 1 0 372.469 2.130 20 30 FEEDRO COC(=O)CC1([NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)CCCCC1 ZINC000533526382 562511618 /nfs/dbraw/zinc/51/16/18/562511618.db2.gz AKTZOANFMMYNCG-UHFFFAOYSA-N 1 0 364.467 2.188 20 30 FEEDRO Cc1ccc(C#N)cc1NC(=O)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C ZINC000534755235 562541838 /nfs/dbraw/zinc/54/18/38/562541838.db2.gz JPTMJWBYHIUQEW-KRWDZBQOSA-N 1 0 359.474 2.081 20 30 FEEDRO CS(=O)(=O)N1CC[C@H](C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)C1 ZINC000537327536 562589637 /nfs/dbraw/zinc/58/96/37/562589637.db2.gz LROSWFCXXIQNKY-IPJUCJBFSA-N 1 0 361.511 2.262 20 30 FEEDRO C[C@@H]([NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1)[C@H]1CCCOC1 ZINC000541648298 562617199 /nfs/dbraw/zinc/61/71/99/562617199.db2.gz KAKKNJDJJZKBNC-CABCVRRESA-N 1 0 353.426 2.087 20 30 FEEDRO CN(CCC#N)C(=O)CC[NH2+][C@@H](CCO)c1ccccc1Br ZINC000541951869 562624239 /nfs/dbraw/zinc/62/42/39/562624239.db2.gz NDFAOCXENCKAHN-HNNXBMFYSA-N 1 0 368.275 2.224 20 30 FEEDRO C[NH+](C)Cc1ccc(C(=O)N2CCN(c3cccc(F)c3C#N)CC2)cn1 ZINC000549760081 562639185 /nfs/dbraw/zinc/63/91/85/562639185.db2.gz QBLFKLNWBGIKDQ-UHFFFAOYSA-N 1 0 367.428 2.116 20 30 FEEDRO COc1cc(CC2C[NH+](C[C@H](O)CC3(C#N)CCOCC3)C2)cc(OC)c1 ZINC000601958730 567886468 /nfs/dbraw/zinc/88/64/68/567886468.db2.gz NZMUSMQTNVZAJX-GOSISDBHSA-N 1 0 374.481 2.249 20 30 FEEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+][C@H]1CC(=O)N(CCOc2ccccc2)C1 ZINC000602552440 567990886 /nfs/dbraw/zinc/99/08/86/567990886.db2.gz WVUWICAXVXXEOO-MSOLQXFVSA-N 1 0 371.481 2.355 20 30 FEEDRO N#CCC1(CN2CCCN(S(=O)(=O)c3ccc(F)cc3)CC2)CC1 ZINC000602764357 568033869 /nfs/dbraw/zinc/03/38/69/568033869.db2.gz ACQDPEXWIZJQHL-UHFFFAOYSA-N 1 0 351.447 2.216 20 30 FEEDRO C[C@H]1C[NH+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C[C@H](C)N1CC#N ZINC000602859823 568049253 /nfs/dbraw/zinc/04/92/53/568049253.db2.gz GVYPCKNBZNPNJJ-KBPBESRZSA-N 1 0 371.510 2.355 20 30 FEEDRO CN(C)C(=O)c1ccc(NC(=O)N(CCC#N)CCC[NH+](C)C)c(F)c1 ZINC000603152371 568065162 /nfs/dbraw/zinc/06/51/62/568065162.db2.gz MRZUOMYKOQLRJH-UHFFFAOYSA-N 1 0 363.437 2.227 20 30 FEEDRO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)n1cc(C[C@@H]2CC[NH2+]C2)nn1 ZINC000603192829 568072264 /nfs/dbraw/zinc/07/22/64/568072264.db2.gz ARUPEALOMCKHBO-GJZGRUSLSA-N 1 0 370.432 2.077 20 30 FEEDRO Cc1cccc(N(CCC#N)C(=O)Cn2cc([C@H]3CCC[NH2+]C3)nn2)c1C ZINC000603206703 568073560 /nfs/dbraw/zinc/07/35/60/568073560.db2.gz MRGKHYZJGBBDTN-KRWDZBQOSA-N 1 0 366.469 2.309 20 30 FEEDRO C[C@H](C#N)CSc1ccccc1NC(=O)Cn1cc(CC[NH+](C)C)nn1 ZINC000603214789 568076614 /nfs/dbraw/zinc/07/66/14/568076614.db2.gz DVIIWBCUVBPPAA-CQSZACIVSA-N 1 0 372.498 2.273 20 30 FEEDRO N#Cc1ccc(OC2CCN(C(=O)NCC[C@H]3CC[NH2+]C3)CC2)c(F)c1 ZINC000568855881 568237095 /nfs/dbraw/zinc/23/70/95/568237095.db2.gz GGTMDZADKRXENV-CQSZACIVSA-N 1 0 360.433 2.250 20 30 FEEDRO CCOc1ccc(OC[C@H](O)C[NH2+]Cc2ccc(C#N)c(OC)c2)cc1 ZINC000569111920 568278029 /nfs/dbraw/zinc/27/80/29/568278029.db2.gz DWSHCFMRYMTCTK-QGZVFWFLSA-N 1 0 356.422 2.495 20 30 FEEDRO CC(C)[NH+](CCCNC(=O)N1CCN(c2cnccc2C#N)CC1)C(C)C ZINC000569303472 568347662 /nfs/dbraw/zinc/34/76/62/568347662.db2.gz QULFUKGPTKGCHO-UHFFFAOYSA-N 1 0 372.517 2.294 20 30 FEEDRO Cc1c2cc(C#N)ccc2sc1C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000570266314 568458643 /nfs/dbraw/zinc/45/86/43/568458643.db2.gz RUKZEBRYKKWFIV-HNNXBMFYSA-N 1 0 370.478 2.151 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1nn(C)c2ccccc2c1=O)C(C)C ZINC000604977845 568499115 /nfs/dbraw/zinc/49/91/15/568499115.db2.gz ARRSMQQNQKTGRU-SFHVURJKSA-N 1 0 368.481 2.362 20 30 FEEDRO C[C@@H]([NH2+][C@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O)c1ccc(C#N)cc1 ZINC000736132419 598959151 /nfs/dbraw/zinc/95/91/51/598959151.db2.gz NTXDUDUKDDLQHL-ACJLOTCBSA-N 1 0 373.420 2.194 20 30 FEEDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1S(=O)(=O)Cc1cc(C#N)ccc1F ZINC000556818672 674422193 /nfs/dbraw/zinc/42/21/93/674422193.db2.gz JFXZUYRKIMWCOE-CJNGLKHVSA-N 1 0 351.447 2.086 20 30 FEEDRO CC(C)N(CCC#N)C(=O)C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000556963587 674430124 /nfs/dbraw/zinc/43/01/24/674430124.db2.gz TXXACRDDPWHSDW-UHFFFAOYSA-N 1 0 356.348 2.253 20 30 FEEDRO C[C@@H]([NH2+][C@@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O)c1cccc(C#N)c1 ZINC000820413526 599388403 /nfs/dbraw/zinc/38/84/03/599388403.db2.gz RLKGQPJVJIGHCG-FZKQIMNGSA-N 1 0 373.420 2.194 20 30 FEEDRO C#Cc1ccc(C[NH2+]CCNS(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000809628030 674501805 /nfs/dbraw/zinc/50/18/05/674501805.db2.gz NNRVOJQBWMFQKD-UHFFFAOYSA-N 1 0 354.884 2.451 20 30 FEEDRO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@@H](CN(C)S(C)(=O)=O)C2)cc1 ZINC000809688705 674505122 /nfs/dbraw/zinc/50/51/22/674505122.db2.gz OBQFEYJNOJAHNU-WBVHZDCISA-N 1 0 365.499 2.081 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1cc(-c2nn[nH]n2)cs1)C(C)C ZINC000819740258 606533269 /nfs/dbraw/zinc/53/32/69/606533269.db2.gz WOBQIPZKQLXAJA-AWEZNQCLSA-N 1 0 360.487 2.357 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Cc1cccc(-c2nn[nH]n2)c1)C(C)C ZINC000819740222 606559135 /nfs/dbraw/zinc/55/91/35/606559135.db2.gz UUWBXDVSYVOLPZ-SFHVURJKSA-N 1 0 368.485 2.224 20 30 FEEDRO C=CC[N@H+](Cc1cccc(-c2nn[nH]n2)c1)C[C@@H](O)c1ccc(C#N)cc1 ZINC000819745407 606888444 /nfs/dbraw/zinc/88/84/44/606888444.db2.gz BJNAZPCTWHOSNZ-LJQANCHMSA-N 1 0 360.421 2.460 20 30 FEEDRO c1cc(-c2nn[nH]n2)ccc1C[NH+]1CCC(=NO[C@@H]2CCCCO2)CC1 ZINC000826513601 607890756 /nfs/dbraw/zinc/89/07/56/607890756.db2.gz PWOZYLZQRLRHDQ-QGZVFWFLSA-N 1 0 356.430 2.362 20 30 FEEDRO C=CC[N@H+](Cc1cccc(-c2nn[nH]n2)c1)C[C@H]1CC(C(=O)OC)=C(C)O1 ZINC000823914652 608003492 /nfs/dbraw/zinc/00/34/92/608003492.db2.gz KRHXYCBURSDAIT-MRXNPFEDSA-N 1 0 369.425 2.091 20 30 FEEDRO Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)n1C[NH+]1CCC(CC#N)CC1 ZINC000826334592 609374011 /nfs/dbraw/zinc/37/40/11/609374011.db2.gz BCKLCGGDZRCLPF-UHFFFAOYSA-N 1 0 363.429 2.017 20 30 FEEDRO C[C@@H]1C(N=Nc2ccc(S(N)(=O)=O)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000811628840 674617318 /nfs/dbraw/zinc/61/73/18/674617318.db2.gz NOSXHWSBUMXUHI-CQSZACIVSA-N 1 0 358.467 2.396 20 30 FEEDRO CC[NH+](CC)CCN1c2ccccc2C(=NNC[C@@H]2CCSC2)C1=O ZINC000811661261 674619254 /nfs/dbraw/zinc/61/92/54/674619254.db2.gz HREQTFLXRQOQIS-HNNXBMFYSA-N 1 0 360.527 2.422 20 30 FEEDRO C#C[C@H](NC(=O)NC[C@H](C)C[NH+]1CCN(C)CC1)c1ccc(Cl)cc1 ZINC000811890654 674636093 /nfs/dbraw/zinc/63/60/93/674636093.db2.gz XFJFLBXKHGAHOJ-YJBOKZPZSA-N 1 0 362.905 2.197 20 30 FEEDRO C#C[C@@H](NC(=O)NC[C@H](C)C[NH+]1CCN(C)CC1)c1ccc(Cl)cc1 ZINC000811890652 674636334 /nfs/dbraw/zinc/63/63/34/674636334.db2.gz XFJFLBXKHGAHOJ-MAUKXSAKSA-N 1 0 362.905 2.197 20 30 FEEDRO CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CCC(=O)Nc3sccc3C#N)[C@@H]2C1 ZINC000561787904 674699566 /nfs/dbraw/zinc/69/95/66/674699566.db2.gz QBGPNUHCRIEKKN-ARFHVFGLSA-N 1 0 360.483 2.185 20 30 FEEDRO Cc1ncc(S(=O)(=O)NC[C@@H](C(C)C)[NH+]2CCC(C)CC2)cc1C#N ZINC000813651592 674765261 /nfs/dbraw/zinc/76/52/61/674765261.db2.gz YKLFSGAXNIMDDH-SFHVURJKSA-N 1 0 364.515 2.297 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1NC(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 ZINC000562589245 674773120 /nfs/dbraw/zinc/77/31/20/674773120.db2.gz WJKMWWFXECLUGX-NCOADZHNSA-N 1 0 351.397 2.353 20 30 FEEDRO C#CCNC(=O)CC[NH2+][C@H]1CCN(CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000815112520 674920773 /nfs/dbraw/zinc/92/07/73/674920773.db2.gz TYGGLKBODGDNMV-WMZOPIPTSA-N 1 0 351.853 2.344 20 30 FEEDRO C#CCNC(=O)[C@@H](C)[NH2+]C1(Cc2ccc(F)cc2Cl)CCOCC1 ZINC000815220901 674931672 /nfs/dbraw/zinc/93/16/72/674931672.db2.gz OYICESNEVCEEHE-CYBMUJFWSA-N 1 0 352.837 2.298 20 30 FEEDRO COc1ccc([C@@H](C)[NH2+]C[C@H](O)CN(C)CCC#N)cc1Br ZINC000563852852 674946439 /nfs/dbraw/zinc/94/64/39/674946439.db2.gz HAUVMPJFJKMHEK-OCCSQVGLSA-N 1 0 370.291 2.315 20 30 FEEDRO CC[C@@H]1CCO[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@@H]2C1 ZINC001048872885 675017718 /nfs/dbraw/zinc/01/77/18/675017718.db2.gz MZEFEFPTAFFEAU-BSXFFOKHSA-N 1 0 359.495 2.325 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3cncs3)C[C@@H]2C1 ZINC001049104274 675023240 /nfs/dbraw/zinc/02/32/40/675023240.db2.gz JTPVMBRKQDKGBI-MVJTYMMSSA-N 1 0 361.511 2.405 20 30 FEEDRO COCc1cc(C[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)ccc1F ZINC000564651754 675047935 /nfs/dbraw/zinc/04/79/35/675047935.db2.gz OSLWYYOQGCINSK-UHFFFAOYSA-N 1 0 362.426 2.407 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N2CCC(Oc3cncc(Cl)c3)CC2)CC1 ZINC000816683772 675073023 /nfs/dbraw/zinc/07/30/23/675073023.db2.gz YBSBGMRTWGEHTG-UHFFFAOYSA-N 1 0 361.873 2.450 20 30 FEEDRO C[C@H]1CN([C@@H](CNC(=[NH2+])NC2CC2)c2c(F)cccc2Cl)CCO1 ZINC000066243217 670439012 /nfs/dbraw/zinc/43/90/12/670439012.db2.gz PHCUJPRLHZTFBT-NHYWBVRUSA-N 1 0 354.857 2.308 20 30 FEEDRO N#Cc1ccncc1N1CC[NH+](C[C@H](O)Cc2cccc(Cl)c2)CC1 ZINC000570264181 670686827 /nfs/dbraw/zinc/68/68/27/670686827.db2.gz GLGHVKYWWKNJME-GOSISDBHSA-N 1 0 356.857 2.332 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C[C@@](O)(c2ccc(C)o2)C(F)(F)F)CC1 ZINC000091048718 670716952 /nfs/dbraw/zinc/71/69/52/670716952.db2.gz PSFPOHTUESXBGA-MRXNPFEDSA-N 1 0 360.376 2.495 20 30 FEEDRO CCN(C1CC[NH+](Cc2ccc(O[C@@H](C)C#N)cc2)CC1)S(C)(=O)=O ZINC000093320632 670751145 /nfs/dbraw/zinc/75/11/45/670751145.db2.gz JZJXOQUEXRGGGL-HNNXBMFYSA-N 1 0 365.499 2.223 20 30 FEEDRO CSc1nnc(CCCNC(=[NH2+])N2CCSCC2)n1C1CCCC1 ZINC000104171526 670790579 /nfs/dbraw/zinc/79/05/79/670790579.db2.gz JYYISOHNJYOIQH-UHFFFAOYSA-N 1 0 368.576 2.411 20 30 FEEDRO CC(C)CCC[C@H](C)NC(=[NH2+])NC[C@]1(N2CCOCC2)CCSC1 ZINC000104178591 670790946 /nfs/dbraw/zinc/79/09/46/670790946.db2.gz CHZGWVQXCUJVFM-FUHWJXTLSA-N 1 0 356.580 2.313 20 30 FEEDRO C=CCn1c(CC[NH+]2CCCCC2)nn(CN(C)[C@@H]2CCOC2)c1=S ZINC000106858020 670815252 /nfs/dbraw/zinc/81/52/52/670815252.db2.gz CMEBPRJARMNJQW-MRXNPFEDSA-N 1 0 365.547 2.307 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2CCC(CC[NH3+])CC2)cc1Br ZINC000571690957 670912661 /nfs/dbraw/zinc/91/26/61/670912661.db2.gz JQQSSZUDEWJXHZ-UHFFFAOYSA-N 1 0 372.288 2.070 20 30 FEEDRO C=CCC[C@@H](CO)[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000571921046 670940887 /nfs/dbraw/zinc/94/08/87/670940887.db2.gz WSISZKKVIXBLKC-UONOGXRCSA-N 1 0 362.239 2.245 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2nc(C(C)C)c(C)s2)CC1 ZINC000573863543 671174633 /nfs/dbraw/zinc/17/46/33/671174633.db2.gz SFYPOKMSPANWNO-UHFFFAOYSA-N 1 0 350.488 2.280 20 30 FEEDRO CN(CCC[NH+](C)C)C(=O)C(=O)Nc1sc(C(C)(C)C)cc1C#N ZINC000574013019 671192000 /nfs/dbraw/zinc/19/20/00/671192000.db2.gz NCROQPFYJJFYTE-UHFFFAOYSA-N 1 0 350.488 2.266 20 30 FEEDRO C[C@H](C[NH2+]C[C@H](O)CN(C)CCC#N)Oc1ccccc1Br ZINC000566111716 675181962 /nfs/dbraw/zinc/18/19/62/675181962.db2.gz FNFAAKJILOHBQU-KGLIPLIRSA-N 1 0 370.291 2.012 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2CCC[C@@H](CC[NH3+])C2)cc1Br ZINC000574518986 671249493 /nfs/dbraw/zinc/24/94/93/671249493.db2.gz ZPZXQYIMVPSMKT-NSHDSACASA-N 1 0 372.288 2.070 20 30 FEEDRO C[C@H]([NH3+])[C@H]1CCCN(S(=O)(=O)c2ccc(C#N)c(Br)c2)C1 ZINC000566216087 675194646 /nfs/dbraw/zinc/19/46/46/675194646.db2.gz LOKCLCUKQKYPAN-JQWIXIFHSA-N 1 0 372.288 2.069 20 30 FEEDRO CCC(CC)[C@@H]1C[C@H]([NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)CCO1 ZINC000577099576 671416535 /nfs/dbraw/zinc/41/65/35/671416535.db2.gz DPRBJSSOISJIFW-SJORKVTESA-N 1 0 365.499 2.300 20 30 FEEDRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)Nc1ccccc1SCCC#N ZINC000609403542 675921445 /nfs/dbraw/zinc/92/14/45/675921445.db2.gz GHQRKMHMCLKQNG-AWEZNQCLSA-N 1 0 362.499 2.477 20 30 FEEDRO CC[S@](=O)[C@H]1CCC[C@@H]([NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000578350567 671658903 /nfs/dbraw/zinc/65/89/03/671658903.db2.gz QJICDPSPXVSRAY-SYJLOODJSA-N 1 0 368.524 2.001 20 30 FEEDRO C[C@H](CNC(=O)COc1ccc(C#N)c(Br)c1)[NH+]1CCCC1 ZINC000579078247 671710425 /nfs/dbraw/zinc/71/04/25/671710425.db2.gz QSLWVXVRIUZSIR-GFCCVEGCSA-N 1 0 366.259 2.300 20 30 FEEDRO N#Cc1c(Br)cccc1S(=O)(=O)N1CCC(CC[NH3+])CC1 ZINC000579364687 671730724 /nfs/dbraw/zinc/73/07/24/671730724.db2.gz UAQVRZJWJPDFGT-UHFFFAOYSA-N 1 0 372.288 2.070 20 30 FEEDRO C[C@H](Cc1ccccc1Br)[NH2+]C[C@@H](O)CN(C)CCC#N ZINC000580423377 671805989 /nfs/dbraw/zinc/80/59/89/671805989.db2.gz QVURGYZDQMUDGR-UKRRQHHQSA-N 1 0 354.292 2.176 20 30 FEEDRO CCCCNC(=[NH2+])NCc1ccc(Br)cc1N1CCOCC1 ZINC000119555103 671902331 /nfs/dbraw/zinc/90/23/31/671902331.db2.gz QXRBDRHRCUIWRF-UHFFFAOYSA-N 1 0 369.307 2.490 20 30 FEEDRO N#CCCC[C@H]([NH3+])C(=O)N[C@@H]1CCN(c2ccccc2Br)C1 ZINC000582961738 672050199 /nfs/dbraw/zinc/05/01/99/672050199.db2.gz BDZGPTPWPMBBSA-OCCSQVGLSA-N 1 0 365.275 2.165 20 30 FEEDRO CC[C@@H](CS(=O)(=O)c1ccccc1)NC(=[NH2+])NCCc1cccs1 ZINC000130876631 672080804 /nfs/dbraw/zinc/08/08/04/672080804.db2.gz VWEMCQJKUXPDCE-AWEZNQCLSA-N 1 0 365.524 2.447 20 30 FEEDRO CC(C)(C)OC(=O)N1CCN2C(NCCSC(C)(C)C)=[NH+]C[C@@H]2C1 ZINC000133884597 672116560 /nfs/dbraw/zinc/11/65/60/672116560.db2.gz OYXNHVNKEQSDPE-CYBMUJFWSA-N 1 0 356.536 2.399 20 30 FEEDRO CC[NH+](CC)CC#C[C@@H](C)OC(=O)c1ccc(C)c(NS(C)(=O)=O)c1 ZINC000134026903 672118269 /nfs/dbraw/zinc/11/82/69/672118269.db2.gz UVCUHPOTUUKZCK-OAHLLOKOSA-N 1 0 366.483 2.257 20 30 FEEDRO CCc1cccc(CC)c1NC(=[NH2+])NC[C@@H]1CCC[C@@H]1NS(C)(=O)=O ZINC000134111654 672119924 /nfs/dbraw/zinc/11/99/24/672119924.db2.gz GWLYXINLHVOWOG-HOTGVXAUSA-N 1 0 366.531 2.256 20 30 FEEDRO CN(CCC#N)C[C@H](O)C[NH2+]CC1(c2cccc(Br)c2)CC1 ZINC000583989615 672145412 /nfs/dbraw/zinc/14/54/12/672145412.db2.gz KLKPUBYRDRRQSF-MRXNPFEDSA-N 1 0 366.303 2.277 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+]CC2(CCO)CCCCC2)cc1 ZINC000584292119 672174268 /nfs/dbraw/zinc/17/42/68/672174268.db2.gz UVMXLDIVURFHSY-UHFFFAOYSA-N 1 0 350.484 2.254 20 30 FEEDRO CC[NH+]=C(NCc1nnc2n1CCCC2)N1CCS[C@H](C(C)C)C1 ZINC000153771197 672204584 /nfs/dbraw/zinc/20/45/84/672204584.db2.gz QORAQSILGRLQFC-AWEZNQCLSA-N 1 0 350.536 2.153 20 30 FEEDRO CCc1ccc(CNC(=O)CON=C(N)c2ccc3c(c2)CCO3)s1 ZINC000158220411 672267317 /nfs/dbraw/zinc/26/73/17/672267317.db2.gz KORKJDRWOMBNFM-UHFFFAOYSA-N 1 0 359.451 2.199 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N2CCN(Cc3ccccc3Cl)CC2)CC1 ZINC000161297207 672296743 /nfs/dbraw/zinc/29/67/43/672296743.db2.gz CDXLQNJNZXJQSX-UHFFFAOYSA-N 1 0 359.901 2.329 20 30 FEEDRO CCCCn1c([C@@H](CC)[NH+](C)C)nn(CN2CCOC[C@H]2C#N)c1=S ZINC000172946023 672346772 /nfs/dbraw/zinc/34/67/72/672346772.db2.gz RKYMFQVWAIDOFI-HUUCEWRRSA-N 1 0 366.535 2.409 20 30 FEEDRO C=CCNC(=O)NC(=O)C[N@H+]1CCCCC[C@H]1C[C@H](O)c1cccs1 ZINC000175855328 672371208 /nfs/dbraw/zinc/37/12/08/672371208.db2.gz XFYXUJDRFWGCRT-GJZGRUSLSA-N 1 0 365.499 2.428 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)NC2CC[NH+](CC3CC3)CC2)c(Cl)c1 ZINC000183518002 672470695 /nfs/dbraw/zinc/47/06/95/672470695.db2.gz PHPAZIMNVWMFDT-UHFFFAOYSA-N 1 0 353.875 2.364 20 30 FEEDRO C[C@@H](OC[C@H](O)C[NH+]1CCN(CCC#N)CC1)c1ccc(Cl)cc1 ZINC000611174977 676022666 /nfs/dbraw/zinc/02/26/66/676022666.db2.gz QGPKNCQEEHKYLZ-CRAIPNDOSA-N 1 0 351.878 2.310 20 30 FEEDRO C=CCNC(=O)NC(=O)C[NH2+][C@H](C)c1ccc(F)c(Br)c1 ZINC000590193838 672564506 /nfs/dbraw/zinc/56/45/06/672564506.db2.gz UYKOADNXYNKBKX-SECBINFHSA-N 1 0 358.211 2.251 20 30 FEEDRO C[N@@H+]1C[C@H]2CCN(C(=O)C(=O)Nc3scc(C(C)(C)C)c3C#N)[C@H]2C1 ZINC000590278489 672569704 /nfs/dbraw/zinc/56/97/04/672569704.db2.gz LGEHGXVICQYBSZ-RISCZKNCSA-N 1 0 360.483 2.018 20 30 FEEDRO COC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000590753038 672610613 /nfs/dbraw/zinc/61/06/13/672610613.db2.gz ZBJQYIHPRWGUQH-SUHUHFCYSA-N 1 0 361.467 2.367 20 30 FEEDRO CC(C)(C)c1csc(NC(=O)C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c1C#N ZINC000591301881 672667145 /nfs/dbraw/zinc/66/71/45/672667145.db2.gz CFZVROUZKRHFNQ-VHRBIJSZSA-N 1 0 360.483 2.051 20 30 FEEDRO CC(C)(C)c1cc(C#N)c(NC(=O)C(=O)N2CCC3(CC[NH2+]3)CC2)s1 ZINC000591580528 672691642 /nfs/dbraw/zinc/69/16/42/672691642.db2.gz MXTSKSNROIFHHL-UHFFFAOYSA-N 1 0 360.483 2.210 20 30 FEEDRO N#CCN1CCC([NH2+]C[C@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000591736072 672706615 /nfs/dbraw/zinc/70/66/15/672706615.db2.gz IDSQBABBRYNYDM-AWEZNQCLSA-N 1 0 358.269 2.311 20 30 FEEDRO C=C[C@@H](O)C(=O)N(C[C@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000611721940 676052203 /nfs/dbraw/zinc/05/22/03/676052203.db2.gz NUJDDXTXNIKKDH-JKSUJKDBSA-N 1 0 356.388 2.446 20 30 FEEDRO CC[C@@H]([NH2+]Cc1cnc2ccc(C#N)cn12)C(=O)NCc1cccs1 ZINC000592374901 672794066 /nfs/dbraw/zinc/79/40/66/672794066.db2.gz PCWXKNCXRQEETL-MRXNPFEDSA-N 1 0 353.451 2.452 20 30 FEEDRO C[NH+]=C(NCC[C@@H]1CCC[C@@H](C)C1)NCC1CCN(S(C)(=O)=O)CC1 ZINC000261662277 672900987 /nfs/dbraw/zinc/90/09/87/672900987.db2.gz NXKDKSZGEJHMIH-CVEARBPZSA-N 1 0 372.579 2.039 20 30 FEEDRO [NH2+]=C(NC[C@@H]1CCCO1)NCC1(c2cccc(Cl)c2)CCOCC1 ZINC000261758093 672902488 /nfs/dbraw/zinc/90/24/88/672902488.db2.gz KXKZWDGNYADHHS-INIZCTEOSA-N 1 0 351.878 2.472 20 30 FEEDRO CC[NH+]=C(NCCOc1ccc(F)c(F)c1)N1CC[C@@]2(CCOC2)C1 ZINC000261963495 672906611 /nfs/dbraw/zinc/90/66/11/672906611.db2.gz KWGTWDZZJAMTQQ-GOSISDBHSA-N 1 0 353.413 2.422 20 30 FEEDRO C[NH+]=C(NCc1nnc(C)n1C)N(C)Cc1ccc(Br)s1 ZINC000261985885 672906926 /nfs/dbraw/zinc/90/69/26/672906926.db2.gz QDCMDGGDAPPYCH-UHFFFAOYSA-N 1 0 371.308 2.155 20 30 FEEDRO CN(C)C(=O)CNC(N[C@@H]1CCOC2(CCCC2)C1)=[NH+]C1CCCC1 ZINC000262326899 672913538 /nfs/dbraw/zinc/91/35/38/672913538.db2.gz UFGDRJAGCAZUPW-MRXNPFEDSA-N 1 0 350.507 2.044 20 30 FEEDRO C=CCNC(=[NH+]C[C@@H]1CCS(=O)(=O)C1)N1CC[C@H](C)C2(CCC2)C1 ZINC000262450532 672916044 /nfs/dbraw/zinc/91/60/44/672916044.db2.gz VVSGXKUSOWBMIX-HOTGVXAUSA-N 1 0 353.532 2.065 20 30 FEEDRO C[C@H](CNC(=[NH2+])N1CCO[C@@H](C)C1)Oc1cccc(Br)c1 ZINC000262501472 672917114 /nfs/dbraw/zinc/91/71/14/672917114.db2.gz YNDUFHNHOUATRZ-NEPJUHHUSA-N 1 0 356.264 2.252 20 30 FEEDRO C[C@H](CNC(=[NH2+])N1CCO[C@@H](C)C1)Oc1ccc(Br)cc1 ZINC000262501045 672917134 /nfs/dbraw/zinc/91/71/34/672917134.db2.gz YJOHEHFHTNQLQZ-NEPJUHHUSA-N 1 0 356.264 2.252 20 30 FEEDRO CC[N@@H+]1CCC[C@H]1CNC(=O)Cc1ccc(Br)cc1C#N ZINC000593392874 672917416 /nfs/dbraw/zinc/91/74/16/672917416.db2.gz VVDRYXFFKAUVMY-HNNXBMFYSA-N 1 0 350.260 2.464 20 30 FEEDRO CN(C)C(=O)CNC(=[NH+]C1CC1)N(C)Cc1ccccc1Br ZINC000262601044 672917976 /nfs/dbraw/zinc/91/79/76/672917976.db2.gz YNMFUZYEXXPAPK-UHFFFAOYSA-N 1 0 367.291 2.077 20 30 FEEDRO C[C@@H]1C[NH+]=C(NC[C@@H](c2ccc(Cl)cc2)N2CCOC(C)(C)C2)N1 ZINC000262653099 672918643 /nfs/dbraw/zinc/91/86/43/672918643.db2.gz KTVVIQVHZQAGSY-CJNGLKHVSA-N 1 0 350.894 2.429 20 30 FEEDRO C[NH+]=C(NCc1nc(C)c(C)s1)N[C@@H]1CCC[C@H](C(=O)N(C)C)C1 ZINC000262690081 672919260 /nfs/dbraw/zinc/91/92/60/672919260.db2.gz VYTYIJFLHJIBAR-UONOGXRCSA-N 1 0 351.520 2.072 20 30 FEEDRO CC(C)(C)NC(=[NH2+])NCc1ccc(S(C)(=O)=O)c(C(F)(F)F)c1 ZINC000262784327 672920830 /nfs/dbraw/zinc/92/08/30/672920830.db2.gz MEESSCMVWIPLAS-UHFFFAOYSA-N 1 0 351.394 2.312 20 30 FEEDRO CC(C)(C)OC(=O)N1CCN(C(=[NH2+])NCCc2ccc(F)cc2)CC1 ZINC000303701190 673016874 /nfs/dbraw/zinc/01/68/74/673016874.db2.gz IDOIWUGNUVITTK-UHFFFAOYSA-N 1 0 350.438 2.236 20 30 FEEDRO Cc1ccc([C@H](CNC(=[NH2+])NCCc2cccs2)N2CCOCC2)o1 ZINC000303784577 673017576 /nfs/dbraw/zinc/01/75/76/673017576.db2.gz PIAFGNNDGGREFJ-INIZCTEOSA-N 1 0 362.499 2.170 20 30 FEEDRO CC(C)NS(=O)(=O)Cc1ccc(CNC(=[NH2+])N2CCC[C@H](C)C2)cc1 ZINC000303874270 673018195 /nfs/dbraw/zinc/01/81/95/673018195.db2.gz HCDQTJBUZZNKRA-HNNXBMFYSA-N 1 0 366.531 2.061 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)C(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000685521193 673019197 /nfs/dbraw/zinc/01/91/97/673019197.db2.gz ZGDFSRJQISHYJT-INIZCTEOSA-N 1 0 363.527 2.499 20 30 FEEDRO CC(C)(C)C(=O)NCCNC(=[NH2+])NCc1ccc(OC(F)(F)F)cc1 ZINC000304471302 673020186 /nfs/dbraw/zinc/02/01/86/673020186.db2.gz DNECBULSOVYEHF-UHFFFAOYSA-N 1 0 360.380 2.152 20 30 FEEDRO CCOC(=O)N1CCC(NC(=[NH2+])NCCCc2cccc(F)c2)CC1 ZINC000304754833 673020226 /nfs/dbraw/zinc/02/02/26/673020226.db2.gz MDXGSPYIUSLAHK-UHFFFAOYSA-N 1 0 350.438 2.284 20 30 FEEDRO CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCOc1ccccc1C(F)(F)F ZINC000304751726 673020228 /nfs/dbraw/zinc/02/02/28/673020228.db2.gz JQCLKBPWRXAXEG-CYBMUJFWSA-N 1 0 358.408 2.473 20 30 FEEDRO O=C(NC1CC[NH+](C2CC2)CC1)c1cccc(S(=O)(=O)NC2CC2)c1 ZINC000328929181 673069934 /nfs/dbraw/zinc/06/99/34/673069934.db2.gz ACLQTDFTKWRXPC-UHFFFAOYSA-N 1 0 363.483 2.059 20 30 FEEDRO N#CCCCC[C@H]([NH3+])C(=O)Nc1cccc(C(=O)N2CCSCC2)c1 ZINC000594432233 673071194 /nfs/dbraw/zinc/07/11/94/673071194.db2.gz ZYRRBDABCQJPLW-INIZCTEOSA-N 1 0 360.483 2.225 20 30 FEEDRO CCCC(=O)N1CCC[C@H]1C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000329096801 673071994 /nfs/dbraw/zinc/07/19/94/673071994.db2.gz LHDKGURZUGRDTF-INIZCTEOSA-N 1 0 351.491 2.379 20 30 FEEDRO N#CCCCC[C@H]([NH3+])C(=O)N1CCN(c2nc3ccccc3s2)CC1 ZINC000594445462 673072820 /nfs/dbraw/zinc/07/28/20/673072820.db2.gz GFTQYTREBFDHNX-AWEZNQCLSA-N 1 0 357.483 2.356 20 30 FEEDRO N#CCCCC[C@H]([NH3+])C(=O)N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000594444838 673072848 /nfs/dbraw/zinc/07/28/48/673072848.db2.gz DFSLKYATJVXXLC-LSDHHAIUSA-N 1 0 366.824 2.112 20 30 FEEDRO Cc1ccc(CNC(=O)[C@H]([NH3+])CCCCC#N)c(-n2cc(Cl)cn2)n1 ZINC000594445323 673072913 /nfs/dbraw/zinc/07/29/13/673072913.db2.gz JHTWZSXBCYNNCN-OAHLLOKOSA-N 1 0 360.849 2.257 20 30 FEEDRO N#CCCC[C@H]([NH3+])C(=O)N1CCOc2cccc(Br)c2C1 ZINC000594452548 673074402 /nfs/dbraw/zinc/07/44/02/673074402.db2.gz OOTBGPOFDWLYBJ-ZDUSSCGKSA-N 1 0 352.232 2.191 20 30 FEEDRO CC[N@@H+]1C[C@H](C)N(C(=O)NC2CCN(c3nccs3)CC2)C[C@@H]1C ZINC000329772024 673083201 /nfs/dbraw/zinc/08/32/01/673083201.db2.gz KGJNPJMRRVKVNL-KBPBESRZSA-N 1 0 351.520 2.440 20 30 FEEDRO Cc1nc(CN2CCCN(C(=O)N[C@@H]3CC[N@H+](C)[C@H](C)C3)CC2)cs1 ZINC000329798020 673083583 /nfs/dbraw/zinc/08/35/83/673083583.db2.gz GFSZUBGRZKQMRW-GDBMZVCRSA-N 1 0 365.547 2.356 20 30 FEEDRO CC(=O)N1CCC[C@@H](CNC(=O)N2CCN(Cc3cccs3)CC2)C1 ZINC000329995340 673085310 /nfs/dbraw/zinc/08/53/10/673085310.db2.gz NAMTWSNABGWDQP-INIZCTEOSA-N 1 0 364.515 2.038 20 30 FEEDRO C#Cc1cccc(NC(=S)N2CCC(C[NH+]3CCN(C)CC3)CC2)c1 ZINC000726478294 673125568 /nfs/dbraw/zinc/12/55/68/673125568.db2.gz JJJCEGQWYZLHPP-UHFFFAOYSA-N 1 0 356.539 2.324 20 30 FEEDRO N#CCc1ccc(CS(=O)(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000595115550 673195842 /nfs/dbraw/zinc/19/58/42/673195842.db2.gz HVHFUBRVQLXEQU-IBGZPJMESA-N 1 0 361.511 2.294 20 30 FEEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)NCC[C@H](C)[NH+](C)C ZINC000595125879 673198036 /nfs/dbraw/zinc/19/80/36/673198036.db2.gz RLUKAWSVPKLUSX-KGLIPLIRSA-N 1 0 362.499 2.333 20 30 FEEDRO N#CCCC[C@H]([NH3+])C(=O)N1CCOC[C@@H]1c1ccc(Br)cc1 ZINC000595256006 673214025 /nfs/dbraw/zinc/21/40/25/673214025.db2.gz IQRBPDZPWRQPDS-LSDHHAIUSA-N 1 0 366.259 2.370 20 30 FEEDRO CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH2+][C@H](C)C2CCC(F)CC2)CC1 ZINC000595818790 673327664 /nfs/dbraw/zinc/32/76/64/673327664.db2.gz JNOAIRMTQABGBG-AQEOSJORSA-N 1 0 352.498 2.185 20 30 FEEDRO N#Cc1ccc(CN2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c(Br)c1 ZINC000595862326 673331144 /nfs/dbraw/zinc/33/11/44/673331144.db2.gz ACDLRYQQTXZINO-MRXNPFEDSA-N 1 0 364.287 2.352 20 30 FEEDRO C=CC[C@]1(C(=O)N2CCC[C@H](c3ncc(C(=O)OC)s3)C2)CCC[NH2+]1 ZINC000595992662 673346093 /nfs/dbraw/zinc/34/60/93/673346093.db2.gz HIPITSNDQPQCOI-SCLBCKFNSA-N 1 0 363.483 2.334 20 30 FEEDRO C[NH+](C)CCCNC(=S)NN=Cc1ccc(N2CCCCC2)s1 ZINC000731928078 673348286 /nfs/dbraw/zinc/34/82/86/673348286.db2.gz CYMFEZLPWFGXBX-UHFFFAOYSA-N 1 0 353.561 2.488 20 30 FEEDRO C[C@@H](CN(C)CCC[NH+](C)C)Nc1ncc(Br)cc1C#N ZINC000596362884 673379502 /nfs/dbraw/zinc/37/95/02/673379502.db2.gz PSBWJYZGOAYQBP-LBPRGKRZSA-N 1 0 354.296 2.400 20 30 FEEDRO C=CCCSCCNC(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000596717649 673406933 /nfs/dbraw/zinc/40/69/33/673406933.db2.gz NXICCRFRDPDLDM-QGZVFWFLSA-N 1 0 354.564 2.106 20 30 FEEDRO C=CCCSCCNC(=O)C(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000597303073 673465997 /nfs/dbraw/zinc/46/59/97/673465997.db2.gz DMLBXKGNFDJYBA-CVEARBPZSA-N 1 0 367.559 2.181 20 30 FEEDRO COc1ccc(CC[NH2+][C@@H](C)c2ccc(C#N)cc2)cc1S(N)(=O)=O ZINC000539506392 673493590 /nfs/dbraw/zinc/49/35/90/673493590.db2.gz DUPYCMMBCNWXIQ-ZDUSSCGKSA-N 1 0 359.451 2.108 20 30 FEEDRO CCN(C(=O)Cc1ccc(Br)cc1C#N)[C@@H]1CC[N@H+](C)C1 ZINC000597944657 673522382 /nfs/dbraw/zinc/52/23/82/673522382.db2.gz DHJGUZIPANCJJU-OAHLLOKOSA-N 1 0 350.260 2.416 20 30 FEEDRO C=CCCOCCCCC(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000540515900 673544873 /nfs/dbraw/zinc/54/48/73/673544873.db2.gz IKVQORWBAVTNHP-RTBURBONSA-N 1 0 351.535 2.234 20 30 FEEDRO CC[C@@H]1CN(C(=O)COc2cccc(Br)c2C#N)C[C@H](C)[NH2+]1 ZINC000598530964 673579697 /nfs/dbraw/zinc/57/96/97/673579697.db2.gz BMQLHRCKSWBICA-NWDGAFQWSA-N 1 0 366.259 2.298 20 30 FEEDRO CC[NH+](CC)[C@@H](CNc1ccc(S(N)(=O)=O)cc1C#N)c1ccco1 ZINC000742397063 673726396 /nfs/dbraw/zinc/72/63/96/673726396.db2.gz JYFOANSXDJBHMS-INIZCTEOSA-N 1 0 362.455 2.294 20 30 FEEDRO CC[NH+](CC)[C@H](CNc1ccc(S(N)(=O)=O)cc1C#N)c1ccco1 ZINC000742397066 673726546 /nfs/dbraw/zinc/72/65/46/673726546.db2.gz JYFOANSXDJBHMS-MRXNPFEDSA-N 1 0 362.455 2.294 20 30 FEEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000599897552 673726813 /nfs/dbraw/zinc/72/68/13/673726813.db2.gz ZVISAJGAXPFSEE-MCIONIFRSA-N 1 0 360.483 2.276 20 30 FEEDRO N#Cc1cc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)ccc1Cl ZINC000600064341 673737989 /nfs/dbraw/zinc/73/79/89/673737989.db2.gz RQDSNDRLUDHNLN-HNNXBMFYSA-N 1 0 360.845 2.283 20 30 FEEDRO CC(C)S(=O)(=O)c1cccc(C(=O)N(CCC#N)CCC[NH+](C)C)c1 ZINC000545331672 673759981 /nfs/dbraw/zinc/75/99/81/673759981.db2.gz NAJQRTKEZBYOKM-UHFFFAOYSA-N 1 0 365.499 2.176 20 30 FEEDRO N#CC1(CS(=O)(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CCCC1 ZINC000545365301 673763342 /nfs/dbraw/zinc/76/33/42/673763342.db2.gz RXNCNVWQNVMLLO-WBVHZDCISA-N 1 0 351.516 2.349 20 30 FEEDRO CCC[C@H]([NH2+]C[C@H](O)CC1(C#N)CC1)C(=O)N1CCc2sccc2C1 ZINC000600723427 673794838 /nfs/dbraw/zinc/79/48/38/673794838.db2.gz OEENXLLCESNNEC-CVEARBPZSA-N 1 0 361.511 2.446 20 30 FEEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCC(=O)[C@H]1CCOC1 ZINC000547248462 673838101 /nfs/dbraw/zinc/83/81/01/673838101.db2.gz LTHKSMAVMGAQRK-HNNXBMFYSA-N 1 0 364.515 2.190 20 30 FEEDRO Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000601354694 673846955 /nfs/dbraw/zinc/84/69/55/673846955.db2.gz UCMVFUFIKDFKSA-CQSZACIVSA-N 1 0 351.447 2.112 20 30 FEEDRO C[C@H]1[C@@H]([NH+](C)C)CCN1S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000601421058 673859673 /nfs/dbraw/zinc/85/96/73/673859673.db2.gz HYWRIRFPISHWSI-HZMBPMFUSA-N 1 0 372.288 2.034 20 30 FEEDRO CCC1([NH+](C)C)CCN(C(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000601790845 673898043 /nfs/dbraw/zinc/89/80/43/673898043.db2.gz DJRBMAWJYZLXRI-UHFFFAOYSA-N 1 0 362.861 2.483 20 30 FEEDRO C[NH+](C)C[C@@]1(O)CCCN(Cc2cc(C#N)ccc2Br)C1 ZINC000602878511 673912111 /nfs/dbraw/zinc/91/21/11/673912111.db2.gz XTHRHCXLQXRHSU-INIZCTEOSA-N 1 0 352.276 2.209 20 30 FEEDRO CC1([NH+]2CCCC2)CCN(CCS(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000602949197 673914392 /nfs/dbraw/zinc/91/43/92/673914392.db2.gz FYZYVCOAYHLUPP-UHFFFAOYSA-N 1 0 361.511 2.282 20 30 FEEDRO CC(C)[C@H](CNc1cc(C#N)c(Br)cn1)[NH+]1CCN(C)CC1 ZINC000603270524 673920435 /nfs/dbraw/zinc/92/04/35/673920435.db2.gz JYEBZBQYJKCFOW-HNNXBMFYSA-N 1 0 366.307 2.400 20 30 FEEDRO N#Cc1cc(NC2CC[NH+]([C@@H]3CCOC3)CC2)ncc1Br ZINC000603316028 673924717 /nfs/dbraw/zinc/92/47/17/673924717.db2.gz CACZTVABPGHNLU-CYBMUJFWSA-N 1 0 351.248 2.381 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)c1nc(Br)sc1C1CC1 ZINC000818602730 675227764 /nfs/dbraw/zinc/22/77/64/675227764.db2.gz AYFMCDNDAHDXNT-UHFFFAOYSA-N 1 0 356.289 2.468 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)c1cc(I)ccc1C ZINC000818606453 675228084 /nfs/dbraw/zinc/22/80/84/675228084.db2.gz UGPCMVWZUKFEBC-UHFFFAOYSA-N 1 0 370.234 2.285 20 30 FEEDRO C#CC[N@@H+](C)CCCNC(=O)[C@@H]1C[C@H](C)CCN1C(=O)OC(C)(C)C ZINC000818609391 675228474 /nfs/dbraw/zinc/22/84/74/675228474.db2.gz SQPXIBDHHABHDC-CVEARBPZSA-N 1 0 351.491 2.093 20 30 FEEDRO Cc1ncc2c(n1)CCC[C@@H]2[NH2+]CCS(=O)(=O)c1cccc(C#N)c1 ZINC000819082314 675259125 /nfs/dbraw/zinc/25/91/25/675259125.db2.gz PNFSJXJZCAXLSK-KRWDZBQOSA-N 1 0 356.451 2.098 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H]2CC[C@@H]3SCCS[C@H]23)cc1 ZINC000819198903 675269157 /nfs/dbraw/zinc/26/91/57/675269157.db2.gz VOMXNDVIHNDOJC-OWCLPIDISA-N 1 0 368.549 2.301 20 30 FEEDRO C#CCNC(=O)CC[NH2+][C@@H](C)[C@@H](OC)c1ccc(Br)cc1 ZINC000819209152 675270080 /nfs/dbraw/zinc/27/00/80/675270080.db2.gz UTTAPFDBJSOMCE-BLLLJJGKSA-N 1 0 353.260 2.254 20 30 FEEDRO C#CCNC(=O)CC[NH2+][C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O ZINC000819257959 675274735 /nfs/dbraw/zinc/27/47/35/675274735.db2.gz GGPIOCSOJYYCLA-CQSZACIVSA-N 1 0 368.264 2.218 20 30 FEEDRO C[NH+](C)C1CCN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)CC1 ZINC000819258822 675274803 /nfs/dbraw/zinc/27/48/03/675274803.db2.gz BHNHZGXWFHVGMT-HNNXBMFYSA-N 1 0 352.479 2.126 20 30 FEEDRO CN(CCC#N)C[C@@H](O)C[NH2+]C[C@@H](c1ccccc1Cl)N1CCCC1 ZINC000567680234 675311841 /nfs/dbraw/zinc/31/18/41/675311841.db2.gz UGDWSPQSWAVDDR-LPHOPBHVSA-N 1 0 364.921 2.273 20 30 FEEDRO C[NH+](C)CCCNC(=S)NN=C1C[C@@H](NC(=O)OC(C)(C)C)C1(C)C ZINC000819807469 675316233 /nfs/dbraw/zinc/31/62/33/675316233.db2.gz IJSIOVPLDVARIA-GFCCVEGCSA-N 1 0 371.551 2.081 20 30 FEEDRO C=CCS(=O)(=O)CC[NH2+]C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000824142726 675585683 /nfs/dbraw/zinc/58/56/83/675585683.db2.gz PHAWJVNKFOTXJZ-HUUCEWRRSA-N 1 0 360.520 2.212 20 30 FEEDRO C=CCN1C(=S)N=NC1c1sc(NC(=O)[C@@H](C)[NH2+]C2CC2)nc1C ZINC000826531930 675690613 /nfs/dbraw/zinc/69/06/13/675690613.db2.gz PYTUQRJEDZZZMQ-SECBINFHSA-N 1 0 364.500 2.264 20 30 FEEDRO C=CCN1C(=S)N=NC1c1sc(NC(=O)[C@H]([NH3+])CC(F)F)nc1C ZINC000826531955 675690622 /nfs/dbraw/zinc/69/06/22/675690622.db2.gz QCZMEBPUUFOJCG-SSDOTTSWSA-N 1 0 374.442 2.106 20 30 FEEDRO C=CCN1C(=S)N=NC1c1sc(NC(=O)C[C@@H]([NH3+])C2CC2)nc1C ZINC000826532840 675690650 /nfs/dbraw/zinc/69/06/50/675690650.db2.gz YQQFSNFOSCOSML-SNVBAGLBSA-N 1 0 364.500 2.251 20 30 FEEDRO C#CC[C@@H]1CCC[N@@H+](CC(=O)N(C)CC(=O)Nc2ccccc2Cl)C1 ZINC000829774371 675890199 /nfs/dbraw/zinc/89/01/99/675890199.db2.gz PKOIDFGFAGPWTE-OAHLLOKOSA-N 1 0 361.873 2.472 20 30 FEEDRO N#C[C@]1(F)CCN(C(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)C1 ZINC000619385347 676374511 /nfs/dbraw/zinc/37/45/11/676374511.db2.gz AJWXGXPEJNWUTN-SSDMNJCBSA-N 1 0 362.371 2.439 20 30 FEEDRO CCN(CCC#N)S(=O)(=O)N1CC[N@H+](Cc2ccccc2)CC[C@H]1C ZINC000619711367 676391611 /nfs/dbraw/zinc/39/16/11/676391611.db2.gz UJQJQXPXWGZLDV-QGZVFWFLSA-N 1 0 364.515 2.063 20 30 FEEDRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)NCc2ccc(C#N)c(Cl)c2)C1 ZINC000619769626 676394146 /nfs/dbraw/zinc/39/41/46/676394146.db2.gz OAVXKTLBHKPXCA-INIZCTEOSA-N 1 0 364.877 2.368 20 30 FEEDRO C[NH+]1CCN(C(C)(C)CNC(=O)NCc2ccc(C#N)c(Cl)c2)CC1 ZINC000619811490 676395811 /nfs/dbraw/zinc/39/58/11/676395811.db2.gz MGHULVYCCUBJIO-UHFFFAOYSA-N 1 0 363.893 2.037 20 30 FEEDRO C=CCOc1c(Cl)cc(C[NH2+][C@@H]2CCC(=O)N(C)C2=O)cc1OC ZINC000623554734 676540485 /nfs/dbraw/zinc/54/04/85/676540485.db2.gz LGUCQFKQICFYJJ-CYBMUJFWSA-N 1 0 352.818 2.150 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)c2cc(Br)c3nccnc3c2)CC1 ZINC000830168263 677028501 /nfs/dbraw/zinc/02/85/01/677028501.db2.gz JRSOALYZPRORDW-UHFFFAOYSA-N 1 0 373.254 2.220 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639761878 677165416 /nfs/dbraw/zinc/16/54/16/677165416.db2.gz OTQGYVGWDFFESF-LPHOPBHVSA-N 1 0 365.543 2.040 20 30 FEEDRO CC#CC[C@@H](CO)NC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000646250665 677281421 /nfs/dbraw/zinc/28/14/21/677281421.db2.gz HDEAEOBQUYADCH-SFHVURJKSA-N 1 0 361.511 2.174 20 30 FEEDRO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000646847017 677291406 /nfs/dbraw/zinc/29/14/06/677291406.db2.gz YBBMSWVPOYDXSU-XHDPSFHLSA-N 1 0 358.360 2.458 20 30 FEEDRO C=CCONC(=O)NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000838707636 680713871 /nfs/dbraw/zinc/71/38/71/680713871.db2.gz OAXGNDLGWCNWDW-UHFFFAOYSA-N 1 0 352.866 2.269 20 30 FEEDRO [NH3+]C[C@H](NC(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1)C(F)(F)F ZINC000655914082 677672298 /nfs/dbraw/zinc/67/22/98/677672298.db2.gz CJGGYOGUCTUYSC-YFKPBYRVSA-N 1 0 361.208 2.402 20 30 FEEDRO Cc1nsc(NC(=O)N2CCC(OCC[NH+]3CCCC3)CC2)c1C#N ZINC000839102980 680738120 /nfs/dbraw/zinc/73/81/20/680738120.db2.gz UHTXHHQOQQOFFK-UHFFFAOYSA-N 1 0 363.487 2.432 20 30 FEEDRO C=CCCn1cc(C[NH2+][C@@H](C)[C@@H](C)C(=O)Nc2nnc(CC)s2)nn1 ZINC000657465560 678002671 /nfs/dbraw/zinc/00/26/71/678002671.db2.gz CRNGQENAOWSYJS-NEPJUHHUSA-N 1 0 363.491 2.021 20 30 FEEDRO C=CCOc1c(Br)cc(C[NH2+][C@H]2CCNC2=O)cc1OCC ZINC000657523438 678007094 /nfs/dbraw/zinc/00/70/94/678007094.db2.gz RUPWHCQDBUJZHI-ZDUSSCGKSA-N 1 0 369.259 2.391 20 30 FEEDRO C=CC[C@@]1(C(=O)N2CCN(C(=O)c3ccc(Cl)cc3)CC2)CCC[NH2+]1 ZINC000662464569 678624874 /nfs/dbraw/zinc/62/48/74/678624874.db2.gz JINNAIOYOMTBJE-IBGZPJMESA-N 1 0 361.873 2.323 20 30 FEEDRO C=CC[C@@]1(C(=O)Nc2ccc(C(=O)NCCOC)c(Cl)c2)CCC[NH2+]1 ZINC000662513172 678632111 /nfs/dbraw/zinc/63/21/11/678632111.db2.gz PSFSLKAFXYVIHZ-SFHVURJKSA-N 1 0 365.861 2.353 20 30 FEEDRO C=CC[C@@]1(C(=O)Nc2ccc(C)c(S(=O)(=O)NC3CC3)c2)CCC[NH2+]1 ZINC000662621922 678644068 /nfs/dbraw/zinc/64/40/68/678644068.db2.gz LWUKBIIPOVMKQQ-SFHVURJKSA-N 1 0 363.483 2.073 20 30 FEEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]CC(=O)N2CCN(C)CC2)cc1 ZINC000765415872 680841510 /nfs/dbraw/zinc/84/15/10/680841510.db2.gz DOZABPXONRHQKO-HNNXBMFYSA-N 1 0 351.878 2.243 20 30 FEEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)Nc1ncc(Cc2ccc(F)c(F)c2)s1 ZINC000841018884 680860207 /nfs/dbraw/zinc/86/02/07/680860207.db2.gz YFCPDGDELCANBQ-IINYFYTJSA-N 1 0 363.393 2.245 20 30 FEEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)Nc1ccc(OC(F)F)cc1OC(F)F ZINC000841046647 680860842 /nfs/dbraw/zinc/86/08/42/680860842.db2.gz DFBYAVYHSZKMRO-XCBNKYQSSA-N 1 0 362.283 2.122 20 30 FEEDRO Cc1cc(Sc2ncccn2)ccc1NC(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000841097265 680863106 /nfs/dbraw/zinc/86/31/06/680863106.db2.gz IAEVUXWTJSLHSU-DOMZBBRYSA-N 1 0 354.439 2.169 20 30 FEEDRO CC(C)OC(=O)c1ccc(Cl)c(NC(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)c1 ZINC000841099642 680863380 /nfs/dbraw/zinc/86/33/80/680863380.db2.gz MVMHPNZWWQSFJW-FZMZJTMJSA-N 1 0 350.806 2.138 20 30 FEEDRO COc1ccc(Br)c(C=NNC(=S)NCCC[NH+](C)C)c1 ZINC000747750873 679901168 /nfs/dbraw/zinc/90/11/68/679901168.db2.gz YVXLRQYGFPHNJO-UHFFFAOYSA-N 1 0 373.320 2.207 20 30 FEEDRO C[NH+](C)Cc1ccc(C(N)=NOCc2nc(CC(F)(F)F)no2)cc1 ZINC000747837301 679906610 /nfs/dbraw/zinc/90/66/10/679906610.db2.gz LRSIWKNIHJKIML-UHFFFAOYSA-N 1 0 357.336 2.073 20 30 FEEDRO C#CCN(CC(=O)NCC[C@H](C)[NH+]1CCCCC1)C(=O)OC(C)(C)C ZINC000832115755 680096599 /nfs/dbraw/zinc/09/65/99/680096599.db2.gz YSDAHDAHNFUEIS-INIZCTEOSA-N 1 0 351.491 2.237 20 30 FEEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[NH2+]C1(C(N)=O)CCCC1 ZINC000750048468 680097883 /nfs/dbraw/zinc/09/78/83/680097883.db2.gz IZQAWALAWXDOIS-ZDUSSCGKSA-N 1 0 360.483 2.407 20 30 FEEDRO C=CCNC(=O)C[N@H+]1CCC[C@@H]([C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000832250029 680115943 /nfs/dbraw/zinc/11/59/43/680115943.db2.gz DKJWCKHBIVSDKN-CVEARBPZSA-N 1 0 351.491 2.258 20 30 FEEDRO C=C(Cl)C(C)(C)C(=O)N1C[C@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@]2(C)C1 ZINC000992956098 680138693 /nfs/dbraw/zinc/13/86/93/680138693.db2.gz JIGJVYFXBLAYJX-BEFAXECRSA-N 1 0 367.921 2.168 20 30 FEEDRO CC[NH+](CC)CCN1c2ccc(Br)cc2C(=NOC)C1=O ZINC000750932149 680140843 /nfs/dbraw/zinc/14/08/43/680140843.db2.gz GBWPGJQQTGBLBM-UHFFFAOYSA-N 1 0 354.248 2.488 20 30 FEEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)COc1ccc(C2SCCCS2)cc1 ZINC000834511903 680236814 /nfs/dbraw/zinc/23/68/14/680236814.db2.gz PPTKEGCMNLZWIW-DZGCQCFKSA-N 1 0 363.508 2.162 20 30 FEEDRO CC(C)c1c(C(=O)N[C@H]2C[NH2+]C[C@H]2C#N)cnn1-c1cccc(Cl)c1 ZINC000834516823 680237130 /nfs/dbraw/zinc/23/71/30/680237130.db2.gz MKALXXMAVGYITC-WBMJQRKESA-N 1 0 357.845 2.490 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](CCc2csc(C)n2)C1 ZINC001023599598 680265136 /nfs/dbraw/zinc/26/51/36/680265136.db2.gz ORSLJZKDJJRXKF-NXHRZFHOSA-N 1 0 363.527 2.413 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@]2(C)C[N@@H+]([C@H](C)COC)C[C@]2(C)C1 ZINC000982642708 680283620 /nfs/dbraw/zinc/28/36/20/680283620.db2.gz UGGYJBSUPIXXAT-QQBOBMDFSA-N 1 0 350.503 2.173 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC(OC(C)=O)CC1)C(C)C ZINC000753566086 680304131 /nfs/dbraw/zinc/30/41/31/680304131.db2.gz SSFXFTDAMJCUNU-GOSISDBHSA-N 1 0 351.491 2.422 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]C[C@@H]2CC(C)(C)CO2)C1 ZINC000983698758 680322084 /nfs/dbraw/zinc/32/20/84/680322084.db2.gz QHEGUEAJEZZLQA-TXTZMMAHSA-N 1 0 350.503 2.267 20 30 FEEDRO CCN(CC)S(=O)(=O)c1ccc(N=NC2C[C@@H](C)[N@@H+](C3CC3)C2)nc1 ZINC000753954326 680326595 /nfs/dbraw/zinc/32/65/95/680326595.db2.gz CZWMDFUXASADGA-CYBMUJFWSA-N 1 0 365.503 2.137 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC[C@H]3CC3(Cl)Cl)C[C@H]21 ZINC001026056826 680340449 /nfs/dbraw/zinc/34/04/49/680340449.db2.gz DRPYDDNZHODGKH-ZLCQRPCESA-N 1 0 359.297 2.208 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC([NH2+]CC2CCOCC2)CC1 ZINC000997081900 680346865 /nfs/dbraw/zinc/34/68/65/680346865.db2.gz AGMCPZOXHKFETR-OALUTQOASA-N 1 0 350.503 2.365 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2cc(OC)ns2)C1 ZINC001026850453 680350308 /nfs/dbraw/zinc/35/03/08/680350308.db2.gz WCZRDESCDABKIN-IMJJTQAJSA-N 1 0 365.499 2.071 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2cc(OC)ns2)C1 ZINC001027117308 680355624 /nfs/dbraw/zinc/35/56/24/680355624.db2.gz VGZQFBPPZCMCSY-QRTARXTBSA-N 1 0 365.499 2.071 20 30 FEEDRO N#Cc1ccc(C[N@H+]2CC[C@@H](CNC(=O)[C@@H]3CCO[C@H]3C3CC3)C2)s1 ZINC001028703003 680381061 /nfs/dbraw/zinc/38/10/61/680381061.db2.gz ZKZJADCZQIEMDG-VHSSKADRSA-N 1 0 359.495 2.373 20 30 FEEDRO C=C(Cl)C[NH2+]C1CC(N(C)C(=O)[C@@H]2CCO[C@H]2c2ccnn2CC)C1 ZINC000998916115 680391341 /nfs/dbraw/zinc/39/13/41/680391341.db2.gz UOSKOXCRHHIQOZ-OCUYMYNFSA-N 1 0 366.893 2.312 20 30 FEEDRO C=C(Br)C[NH2+]C1CC(N(C)C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C1 ZINC000998930285 680391783 /nfs/dbraw/zinc/39/17/83/680391783.db2.gz QBIYKUFOHBVVSC-FIYWTHMPSA-N 1 0 353.264 2.001 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](C[N@@H+](C)Cc2cc(OC)ns2)C1 ZINC001029846183 680393648 /nfs/dbraw/zinc/39/36/48/680393648.db2.gz BBUYEQWKTPJJAR-IMJJTQAJSA-N 1 0 365.499 2.023 20 30 FEEDRO C=C(Br)C[NH2+]C1CC(N(C)C(=O)[C@@H]2C[C@H]2c2cncn2C)C1 ZINC000999425749 680403107 /nfs/dbraw/zinc/40/31/07/680403107.db2.gz HWEFKCLDZFWSJX-NWINJMCUSA-N 1 0 367.291 2.011 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1CC([NH2+]CCC2CCOCC2)C1 ZINC000999540802 680405735 /nfs/dbraw/zinc/40/57/35/680405735.db2.gz ZTHUOVWUSHNXQH-BTRQGYIVSA-N 1 0 350.503 2.363 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N(CC)[C@H]1CC[N@H+](CCOC2CCC2)C1 ZINC001033836755 680425687 /nfs/dbraw/zinc/42/56/87/680425687.db2.gz JJRCIJUXNABYAZ-UHOSZYNNSA-N 1 0 350.503 2.460 20 30 FEEDRO C=C(C)CC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C1 ZINC001034272114 680432677 /nfs/dbraw/zinc/43/26/77/680432677.db2.gz RRJKTENNZKEMDI-ZNMIVQPWSA-N 1 0 364.408 2.270 20 30 FEEDRO C=C(Cl)C(C)(C)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+]1CCC[C@H]1C)C2 ZINC001000470747 680433228 /nfs/dbraw/zinc/43/32/28/680433228.db2.gz XPHWSLMURUTJSN-OJLVUWQFSA-N 1 0 367.921 2.498 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]C[C@H]2CCOC2)CC1 ZINC001034753913 680440176 /nfs/dbraw/zinc/44/01/76/680440176.db2.gz ZLWBSZSNDQCELF-QQXKLLMISA-N 1 0 350.503 2.411 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)NC[C@@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000836258577 680442171 /nfs/dbraw/zinc/44/21/71/680442171.db2.gz RHRFFPNMRXXCGL-INIZCTEOSA-N 1 0 362.905 2.421 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([N@H+](C)C[C@@H]2CCCOC2)CC1 ZINC000985435456 680447815 /nfs/dbraw/zinc/44/78/15/680447815.db2.gz KVMAEVLTWOEWIB-UHOSZYNNSA-N 1 0 350.503 2.317 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC2(C[NH+](C[C@H](C)OC)C2)CC1 ZINC001035813339 680452974 /nfs/dbraw/zinc/45/29/74/680452974.db2.gz GALJHXAFRHEXDD-BZSNNMDCSA-N 1 0 350.503 2.317 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+]1CCCC1CCOCC1 ZINC001038807957 680461729 /nfs/dbraw/zinc/46/17/29/680461729.db2.gz NRWKUYSESLAABW-FHWLQOOXSA-N 1 0 350.503 2.365 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)NCC1CC[NH+](CCC[C@H]2CCOC2)CC1 ZINC001001850613 680478451 /nfs/dbraw/zinc/47/84/51/680478451.db2.gz CUAMGOHQBHYZNR-OTWHNJEPSA-N 1 0 350.503 2.222 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1CC[NH+](CC[C@@H]2CCCO2)CC1 ZINC001001930231 680482650 /nfs/dbraw/zinc/48/26/50/680482650.db2.gz GAVIPHDJQMPNKB-FHWLQOOXSA-N 1 0 350.503 2.365 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC2(C1)CC[NH+]([C@H](C)COC)CC2 ZINC001040706528 680484058 /nfs/dbraw/zinc/48/40/58/680484058.db2.gz SNHFAKHKYSUCCF-KURKYZTESA-N 1 0 350.503 2.317 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@]2(CC[N@@H+](Cc3scnc3C)C2)C1 ZINC001041696820 680508935 /nfs/dbraw/zinc/50/89/35/680508935.db2.gz WLLQLWYODSXPRP-GJYPPUQNSA-N 1 0 361.511 2.467 20 30 FEEDRO C=C(C[NH+](C)C)C(=O)NC[C@@H](CO)Cc1ccc(C)c(Br)c1 ZINC000836989439 680538289 /nfs/dbraw/zinc/53/82/89/680538289.db2.gz BXAOANZEJYNKRR-HNNXBMFYSA-N 1 0 369.303 2.143 20 30 FEEDRO C=C(C[NH+](C)C)C(=O)N[C@@H]1CN(CC(F)(F)F)C[C@H]1c1ccccc1 ZINC000837139748 680558497 /nfs/dbraw/zinc/55/84/97/680558497.db2.gz UYPRMRDCKAAOOT-JKSUJKDBSA-N 1 0 355.404 2.251 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC([C@H]2CCC[N@@H+]2CCO)CC1 ZINC001004579633 680560938 /nfs/dbraw/zinc/56/09/38/680560938.db2.gz OZAHWGURZKIJHW-OTWHNJEPSA-N 1 0 350.503 2.053 20 30 FEEDRO Cc1nsc(N[C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@H]2C)c1C#N ZINC001043291025 680572300 /nfs/dbraw/zinc/57/23/00/680572300.db2.gz DCWWCKTYUNAZGW-CZUORRHYSA-N 1 0 361.515 2.314 20 30 FEEDRO C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1Nc1nc(C#N)c(Cl)s1 ZINC001043511863 680584868 /nfs/dbraw/zinc/58/48/68/680584868.db2.gz LGFYIGPXSIMDGK-NTZNESFSSA-N 1 0 367.906 2.411 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CC[NH+](C[C@@H]2CC(C)(C)CO2)CC1 ZINC001006023324 680590866 /nfs/dbraw/zinc/59/08/66/680590866.db2.gz VHPYWISXCGGAEW-KSZLIROESA-N 1 0 350.503 2.315 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CC[NH+](C[C@@H](OC)C2CCC2)CC1 ZINC001006023546 680590869 /nfs/dbraw/zinc/59/08/69/680590869.db2.gz VKRUFQNKBQTHNA-CEXWTWQISA-N 1 0 350.503 2.315 20 30 FEEDRO C#CCC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3C[C@H]3c3ccsc3)CC2)C1 ZINC001046038062 680643269 /nfs/dbraw/zinc/64/32/69/680643269.db2.gz GOWSXVYUZZNSLH-CEXWTWQISA-N 1 0 357.523 2.093 20 30 FEEDRO C=CCC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2C[C@H]2c2ccnn2C)C1 ZINC001046959659 680654564 /nfs/dbraw/zinc/65/45/64/680654564.db2.gz CVMRFGWYWYMFQE-RRFJBIMHSA-N 1 0 352.429 2.173 20 30 FEEDRO CCOC(=O)c1c(CC)c(C)sc1NC(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000841157467 680866504 /nfs/dbraw/zinc/86/65/04/680866504.db2.gz WAMYHUMRVYGRJK-PWSUYJOCSA-N 1 0 350.444 2.029 20 30 FEEDRO C[C@@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)[C@@H](O)c1cccc(F)c1 ZINC000843105022 680987960 /nfs/dbraw/zinc/98/79/60/680987960.db2.gz RUGRJEMRCUZAIQ-FZKQIMNGSA-N 1 0 362.426 2.183 20 30 FEEDRO CC(C[C@H](C)NC(=O)OC(C)(C)C)=NNC(=S)NCCC[NH+](C)C ZINC000769587245 680988113 /nfs/dbraw/zinc/98/81/13/680988113.db2.gz UWJKUYUTAMTTEL-LBPRGKRZSA-N 1 0 359.540 2.081 20 30 FEEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)C1(c2ccc(Br)cc2)CCCC1 ZINC000843462324 681005051 /nfs/dbraw/zinc/00/50/51/681005051.db2.gz PMKOLMHXNNBTHB-SWLSCSKDSA-N 1 0 362.271 2.489 20 30 FEEDRO C=C(Br)CN1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001049481239 681032624 /nfs/dbraw/zinc/03/26/24/681032624.db2.gz HVZDNAOJMITBMJ-FPCVCCKLSA-N 1 0 370.335 2.301 20 30 FEEDRO C#CCN1C(=O)C[C@H](Nc2ccc(SCC[NH+]3CCCC3)cc2)C1=O ZINC000844273717 681047125 /nfs/dbraw/zinc/04/71/25/681047125.db2.gz UGFNYOSBZAJVID-KRWDZBQOSA-N 1 0 357.479 2.047 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(C1)CC[NH+](Cc1cc(C)ns1)CC2 ZINC001050672192 681053370 /nfs/dbraw/zinc/05/33/70/681053370.db2.gz LWBGHDXYSFMHSP-SJORKVTESA-N 1 0 361.511 2.467 20 30 FEEDRO Cc1nsc(N2CC[C@H](NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)[C@H]2C)c1C#N ZINC001050921444 681057836 /nfs/dbraw/zinc/05/78/36/681057836.db2.gz SSMPASQKJJHBGI-AEIGPULVSA-N 1 0 361.515 2.137 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@]2(CC[N@H+](CCCO)C2)C1 ZINC001054212626 681106618 /nfs/dbraw/zinc/10/66/18/681106618.db2.gz JSWOFWBIWAYMRO-CMKODMSKSA-N 1 0 350.503 2.055 20 30 FEEDRO C#CCN1CCN(C(=O)C[NH2+][C@H](C)c2cccc(C(F)(F)F)c2)CC1 ZINC000774801824 681236277 /nfs/dbraw/zinc/23/62/77/681236277.db2.gz IDNJQEGEKBFHDU-CQSZACIVSA-N 1 0 353.388 2.133 20 30 FEEDRO Cc1cc(Br)cc(C[NH2+]CCNC(=O)C2N=CC=CC2=O)c1 ZINC000774992580 681263813 /nfs/dbraw/zinc/26/38/13/681263813.db2.gz QHPNWBGAVKZLFF-NXVVXOECSA-N 1 0 364.243 2.374 20 30 FEEDRO COC1CC[NH+](C(C)(C)CNC(=O)N[C@@H](CC#N)C(F)(F)F)CC1 ZINC000932919104 681328078 /nfs/dbraw/zinc/32/80/78/681328078.db2.gz NJYIQAQRZOXDHZ-LBPRGKRZSA-N 1 0 350.385 2.020 20 30 FEEDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)N[C@H](CC#N)C(F)(F)F)[C@H](C)C1 ZINC000932919447 681328353 /nfs/dbraw/zinc/32/83/53/681328353.db2.gz ISOQYGBMTKINNT-HZSPNIEDSA-N 1 0 364.412 2.267 20 30 FEEDRO C[NH+](C)CCOc1ccccc1CNC(=O)N[C@H](CC#N)C(F)(F)F ZINC000932922359 681328840 /nfs/dbraw/zinc/32/88/40/681328840.db2.gz JXESJDLYXREKIX-CQSZACIVSA-N 1 0 358.364 2.271 20 30 FEEDRO N#CC[C@H](NC(=O)NC1CC[NH+](Cc2ccncc2)CC1)C(F)(F)F ZINC000932927431 681329601 /nfs/dbraw/zinc/32/96/01/681329601.db2.gz RMPDJNNZPQOYTI-AWEZNQCLSA-N 1 0 355.364 2.190 20 30 FEEDRO COC[C@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932941942 681331921 /nfs/dbraw/zinc/33/19/21/681331921.db2.gz DVXWJWJSRBZIKB-PRJMDXOYSA-N 1 0 357.241 2.097 20 30 FEEDRO C#CCN1CCN(C(=O)C[NH+]2CCC(c3ccc(Cl)cc3)CC2)CC1 ZINC000775824979 681339700 /nfs/dbraw/zinc/33/97/00/681339700.db2.gz YEFHSIVJMAKZSM-UHFFFAOYSA-N 1 0 359.901 2.297 20 30 FEEDRO C#CCCC[N@H+]1CCCC[C@@H]1CNC(=O)CCNC(=O)OC(C)(C)C ZINC000775863726 681342765 /nfs/dbraw/zinc/34/27/65/681342765.db2.gz PYCYSHQZQXWWNY-MRXNPFEDSA-N 1 0 351.491 2.285 20 30 FEEDRO C#Cc1ccc(NC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)c(Cl)c1 ZINC000933374624 681401061 /nfs/dbraw/zinc/40/10/61/681401061.db2.gz MYHADWGAOMECEK-CQSZACIVSA-N 1 0 362.861 2.030 20 30 FEEDRO CCN(CC)c1ccc(/C=[NH+]\[C@@H]2CCOC[C@@H]2OCCOC)c(O)c1 ZINC000776721627 681430032 /nfs/dbraw/zinc/43/00/32/681430032.db2.gz INRBYJNQJSCKMR-HUGLALDMSA-N 1 0 350.459 2.478 20 30 FEEDRO C#CCOCC[N@@H+]1CCOC2(CCC(NC(=O)OC(C)(C)C)CC2)C1 ZINC000933829645 681472563 /nfs/dbraw/zinc/47/25/63/681472563.db2.gz LDOFWFAFIQSHEM-UHFFFAOYSA-N 1 0 352.475 2.175 20 30 FEEDRO C#CCOc1cccc(Cl)c1C[NH2+]C1CCN(S(=O)(=O)CC)CC1 ZINC000778155506 681581013 /nfs/dbraw/zinc/58/10/13/681581013.db2.gz AOJIKJFVJMIQKQ-UHFFFAOYSA-N 1 0 370.902 2.256 20 30 FEEDRO C#CCOc1cccc(Cl)c1C[NH2+]C[C@H]1CCC[C@@H]1NS(C)(=O)=O ZINC000778176284 681582991 /nfs/dbraw/zinc/58/29/91/681582991.db2.gz HVCAYRLCBFLXJV-CJNGLKHVSA-N 1 0 370.902 2.160 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H]1CCC[N@H+](CCOC2CCC2)CC1 ZINC000948785333 681597953 /nfs/dbraw/zinc/59/79/53/681597953.db2.gz GZUCJIBFRQVXOX-QRQLOZEOSA-N 1 0 350.503 2.460 20 30 FEEDRO C=C(C)CC[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1CCO[C@H]1CC)CCO2 ZINC000949145350 681620573 /nfs/dbraw/zinc/62/05/73/681620573.db2.gz BJDLLZUYYATBID-MSOLQXFVSA-N 1 0 350.503 2.461 20 30 FEEDRO CN(C)[S@](C)(=O)=NCC1CC[NH+](CCCC2(C#N)CCOCC2)CC1 ZINC000934752061 681621942 /nfs/dbraw/zinc/62/19/42/681621942.db2.gz NDRJCUNYEIJMOU-RUZDIDTESA-N 1 0 370.563 2.373 20 30 FEEDRO C=C(Cl)C(C)(C)C(=O)N1C[C@@H](C)[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC000949361891 681634662 /nfs/dbraw/zinc/63/46/62/681634662.db2.gz KALBLSGINQTRJL-BPLDGKMQSA-N 1 0 355.910 2.070 20 30 FEEDRO CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000848939981 681645520 /nfs/dbraw/zinc/64/55/20/681645520.db2.gz FIIBRUGZWQIZHJ-GJZGRUSLSA-N 1 0 352.479 2.222 20 30 FEEDRO Cc1c(Br)cccc1C[C@H](CO)C[NH+]=C(N(C)C)N(C)C ZINC000849117295 681658393 /nfs/dbraw/zinc/65/83/93/681658393.db2.gz YTHLQVWCQXBDDF-ZDUSSCGKSA-N 1 0 356.308 2.388 20 30 FEEDRO N#Cc1c(Br)cccc1OCC(=O)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912905262 685466192 /nfs/dbraw/zinc/46/61/92/685466192.db2.gz ZKBMPRVOPGIUCA-LBPRGKRZSA-N 1 0 364.243 2.006 20 30 FEEDRO CC/[NH+]=C(\N(C)C)N1CCN(C(=O)Cc2cccc(Cl)c2)[C@H](C)C1 ZINC000849366880 681695767 /nfs/dbraw/zinc/69/57/67/681695767.db2.gz DTZZIFOWUYMFBC-NXHAUGRDSA-N 1 0 350.894 2.353 20 30 FEEDRO C=CC1(CC(=O)N2CC[N@@H+](C)CC2(C)C)CN(C(=O)OC(C)(C)C)C1 ZINC000935174060 681704390 /nfs/dbraw/zinc/70/43/90/681704390.db2.gz YROWTAAZLHPRDR-UHFFFAOYSA-N 1 0 351.491 2.352 20 30 FEEDRO C=CCSCCNC(=O)[C@H]1CC[N@@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849510940 681755756 /nfs/dbraw/zinc/75/57/56/681755756.db2.gz MUKKFHKFBOOYSV-IRXDYDNUSA-N 1 0 350.532 2.269 20 30 FEEDRO C[NH+](C)CC#CCNC(=O)c1ccc(NC(=O)OCC(F)(F)F)cc1 ZINC000913519301 685479196 /nfs/dbraw/zinc/47/91/96/685479196.db2.gz VGNIDMAUQUUORH-UHFFFAOYSA-N 1 0 357.332 2.092 20 30 FEEDRO CN(C)[C@@H](CNS(=O)(=O)Cc1csc(C#N)c1)c1ccc(F)cc1 ZINC000913947594 685489841 /nfs/dbraw/zinc/48/98/41/685489841.db2.gz HEZFJAWNXVNCBI-INIZCTEOSA-N 1 0 367.471 2.481 20 30 FEEDRO N#Cc1cc(CS(=O)(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cs1 ZINC000914273423 685502029 /nfs/dbraw/zinc/50/20/29/685502029.db2.gz GNKKEQOOTHPGBR-YOEHRIQHSA-N 1 0 365.524 2.398 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@@H]1C[N@@H+](C)CC1CCOCC1 ZINC000960648947 682055919 /nfs/dbraw/zinc/05/59/19/682055919.db2.gz VSSMPJNQLHAWGO-QRVBRYPASA-N 1 0 350.503 2.317 20 30 FEEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3C[C@H]4C[C@@]4(CO)C3)sc2C1 ZINC000782602259 682062952 /nfs/dbraw/zinc/06/29/52/682062952.db2.gz AGNLFEARLVPGFD-VPZZIHKRSA-N 1 0 359.495 2.387 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CCOC2CCC2)CC1(C)C ZINC000941040208 682096808 /nfs/dbraw/zinc/09/68/08/682096808.db2.gz XHHJPJAYHKALSP-FGTMMUONSA-N 1 0 350.503 2.363 20 30 FEEDRO C=CCS(=O)(=O)CC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000783536294 682150773 /nfs/dbraw/zinc/15/07/73/682150773.db2.gz KLFCZBSBKDDSIC-LSDHHAIUSA-N 1 0 360.520 2.355 20 30 FEEDRO CC[N@@H+]1CCC[C@H]1CNC(=S)Nc1cc(C#N)ccc1OCCOC ZINC000783789541 682177262 /nfs/dbraw/zinc/17/72/62/682177262.db2.gz PBVURZUYHHBRFQ-HNNXBMFYSA-N 1 0 362.499 2.354 20 30 FEEDRO Cc1nn(-c2cc[nH+]cc2)cc1C=NNc1ccc(S(C)(=O)=O)cc1 ZINC000783828913 682179990 /nfs/dbraw/zinc/17/99/90/682179990.db2.gz SOGQKNBYGVUFOD-UHFFFAOYSA-N 1 0 355.423 2.425 20 30 FEEDRO C#CCC[N@@H+](CCOC)C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000852748579 682335261 /nfs/dbraw/zinc/33/52/61/682335261.db2.gz DNWMINFWAJQLRH-OAHLLOKOSA-N 1 0 374.250 2.300 20 30 FEEDRO C#C[C@H]([NH2+]C[C@@H](O)COc1cccc(C(F)(F)F)c1)C1CCOCC1 ZINC000853115185 682377534 /nfs/dbraw/zinc/37/75/34/682377534.db2.gz FZWHUDHTZLDUJE-WBVHZDCISA-N 1 0 357.372 2.463 20 30 FEEDRO C=C(Cl)C(C)(C)C(=O)N1CC[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)[C@@H]2C1 ZINC000972640152 682427309 /nfs/dbraw/zinc/42/73/09/682427309.db2.gz IRBXGCMXFVVOSS-HUUCEWRRSA-N 1 0 367.921 2.309 20 30 FEEDRO C#CCN(CC(=O)OC(C)(C)C)C(=O)NCCC1CC[NH+](CC)CC1 ZINC000853788509 682469539 /nfs/dbraw/zinc/46/95/39/682469539.db2.gz XEUQJZJGQQFVHV-UHFFFAOYSA-N 1 0 351.491 2.095 20 30 FEEDRO CCCN1C(=O)[C@H](CC(=O)NCC[NH+](C)C)SC1=Nc1ccsc1 ZINC000790738969 682698472 /nfs/dbraw/zinc/69/84/72/682698472.db2.gz MMXPYUIMRYMWNX-ZDUSSCGKSA-N 1 0 368.528 2.158 20 30 FEEDRO C=C(C[NH+](C)C)C(=O)NCc1cc(Br)c(OC)c(OC)c1 ZINC000791345117 682736323 /nfs/dbraw/zinc/73/63/23/682736323.db2.gz QVDKDXLHEVSNNE-UHFFFAOYSA-N 1 0 357.248 2.200 20 30 FEEDRO C#CCNC(=O)CN1CC[NH+](C[C@H](C)CSc2ccccc2C)CC1 ZINC000859118378 683041241 /nfs/dbraw/zinc/04/12/41/683041241.db2.gz APKSKYAJEGSEAM-KRWDZBQOSA-N 1 0 359.539 2.090 20 30 FEEDRO C#CCN(C(=O)NC[C@H]1CCC[C@H](C(F)(F)F)O1)C1CC[NH+](C)CC1 ZINC000926402609 683120820 /nfs/dbraw/zinc/12/08/20/683120820.db2.gz JSNRGBYQLZCPOX-HUUCEWRRSA-N 1 0 361.408 2.225 20 30 FEEDRO C=CCOc1ccc(C[NH2+][C@H](C)C2CCN(S(C)(=O)=O)CC2)cc1 ZINC000926401362 683120825 /nfs/dbraw/zinc/12/08/25/683120825.db2.gz MSXPHMHLZJZABO-OAHLLOKOSA-N 1 0 352.500 2.401 20 30 FEEDRO C#CCSCC[NH2+][C@@H](C1CC1)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000796815701 683197841 /nfs/dbraw/zinc/19/78/41/683197841.db2.gz GBJOLDOCHGUSSV-HOTGVXAUSA-N 1 0 354.516 2.357 20 30 FEEDRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000919848357 683303137 /nfs/dbraw/zinc/30/31/37/683303137.db2.gz UYAGLARVGGAMHG-QWHCGFSZSA-N 1 0 373.400 2.434 20 30 FEEDRO COc1cc(C#N)ccc1S(=O)(=O)N1CCCC2(CC[NH+](C)CC2)C1 ZINC000798466160 683353516 /nfs/dbraw/zinc/35/35/16/683353516.db2.gz GZNDGXTUECCKFK-UHFFFAOYSA-N 1 0 363.483 2.063 20 30 FEEDRO C#CCC(C)(C)C(=O)NCC[NH+]1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000927844225 683322686 /nfs/dbraw/zinc/32/26/86/683322686.db2.gz DYLIQIOTRAXUND-UHFFFAOYSA-N 1 0 351.491 2.141 20 30 FEEDRO N#Cc1ccc(-c2cccc(CNC(=O)NC[C@@H]3COCC[NH2+]3)c2)s1 ZINC000861589567 683439555 /nfs/dbraw/zinc/43/95/55/683439555.db2.gz IKHHHTLEUACPLM-OAHLLOKOSA-N 1 0 356.451 2.074 20 30 FEEDRO C[NH+](C)CC[C@@H](NS(=O)(=O)c1ccccc1CC#N)c1cccnc1 ZINC000921479663 683481238 /nfs/dbraw/zinc/48/12/38/683481238.db2.gz PBCFMOMNHAWQEU-QGZVFWFLSA-N 1 0 358.467 2.119 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)Cn2nc(C(F)(F)F)c(Cl)c2C)CC1 ZINC000928651553 683481346 /nfs/dbraw/zinc/48/13/46/683481346.db2.gz WCNRSPIWGZBZKN-UHFFFAOYSA-N 1 0 362.783 2.078 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)c2c(C(F)(F)F)nc3ccccn32)CC1 ZINC000928649749 683481455 /nfs/dbraw/zinc/48/14/55/683481455.db2.gz QRMCAEYVEGNKQP-UHFFFAOYSA-N 1 0 350.344 2.181 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)c2cc3c(c(Br)c2)OCO3)CC1 ZINC000928657429 683482731 /nfs/dbraw/zinc/48/27/31/683482731.db2.gz IOQCKMODXBCKTP-UHFFFAOYSA-N 1 0 365.227 2.005 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)c2ccc(CSc3nccn3C)o2)CC1 ZINC000928656944 683482745 /nfs/dbraw/zinc/48/27/45/683482745.db2.gz GWKCSZMRGOKMLZ-UHFFFAOYSA-N 1 0 358.467 2.133 20 30 FEEDRO CCN1CCC([NH+]2CCC(C(=O)N[C@@H](CC#N)C(F)(F)F)CC2)CC1 ZINC000928801658 683505939 /nfs/dbraw/zinc/50/59/39/683505939.db2.gz BFLKWIOFOCOHOC-HNNXBMFYSA-N 1 0 360.424 2.143 20 30 FEEDRO C[NH+]1CCC(CNC(=S)N2CCC(C#N)(c3ccccn3)CC2)CC1 ZINC000799900613 683506833 /nfs/dbraw/zinc/50/68/33/683506833.db2.gz UERBALFLHXCANS-UHFFFAOYSA-N 1 0 357.527 2.155 20 30 FEEDRO CC1([NH+]2CCC2)CCC(NS(=O)(=O)Cc2csc(C#N)c2)CC1 ZINC000921718460 683556225 /nfs/dbraw/zinc/55/62/25/683556225.db2.gz ZOJHGIFHNONZMF-UHFFFAOYSA-N 1 0 353.513 2.446 20 30 FEEDRO CC1([NH+]2CCC2)CCC(NS(=O)(=O)c2cccc(F)c2C#N)CC1 ZINC000921723243 683557830 /nfs/dbraw/zinc/55/78/30/683557830.db2.gz YVBUJMBSRMEUNG-UHFFFAOYSA-N 1 0 351.447 2.383 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2)CC1 ZINC000921817302 683582552 /nfs/dbraw/zinc/58/25/52/683582552.db2.gz MKLDQVNXLLIDGJ-KRWDZBQOSA-N 1 0 360.889 2.316 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000921837066 683586931 /nfs/dbraw/zinc/58/69/31/683586931.db2.gz NHGLRDQGJHPSOK-UHFFFAOYSA-N 1 0 364.833 2.188 20 30 FEEDRO C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)Cc1c(F)cccc1Cl ZINC000922023494 683639419 /nfs/dbraw/zinc/63/94/19/683639419.db2.gz UVFNSVUBQQTJDR-UHFFFAOYSA-N 1 0 358.866 2.338 20 30 FEEDRO Cn1nc(Br)c2c1ncnc2N=NC1CC[N@H+](C)C(C)(C)C1 ZINC000863088587 683676896 /nfs/dbraw/zinc/67/68/96/683676896.db2.gz LKPSROLQPWBYKF-UHFFFAOYSA-N 1 0 366.267 2.398 20 30 FEEDRO C#Cc1ccc(NC(=O)CC[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](CO)C2)cc1 ZINC000930454474 683736123 /nfs/dbraw/zinc/73/61/23/683736123.db2.gz XPCHMGVUQJNTGM-GOEBONIOSA-N 1 0 354.372 2.489 20 30 FEEDRO N#CC1(C[C@@H](O)C[NH2+]C[C@@H]2COC3(CCCCCC3)O2)CCOCC1 ZINC000863553485 683741423 /nfs/dbraw/zinc/74/14/23/683741423.db2.gz CKJPBLZGQQGVCJ-IAGOWNOFSA-N 1 0 352.475 2.113 20 30 FEEDRO N#CC1(C[C@H](O)C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CCOCC1 ZINC000863553026 683741575 /nfs/dbraw/zinc/74/15/75/683741575.db2.gz ZHKFNUOKAXRGGF-AWEZNQCLSA-N 1 0 353.806 2.409 20 30 FEEDRO C=CCOc1ccc(C[NH2+]C[C@]2(OC)CCS(=O)(=O)C2)cc1Cl ZINC000922615843 683754727 /nfs/dbraw/zinc/75/47/27/683754727.db2.gz PBYMGWKNMQWRFN-MRXNPFEDSA-N 1 0 359.875 2.198 20 30 FEEDRO Cn1cc(C[NH2+]CC(C)(C)CS(C)(=O)=O)c(-c2ccc(C#N)cc2)n1 ZINC000922739291 683775611 /nfs/dbraw/zinc/77/56/11/683775611.db2.gz HVMVMVZVKGLGBW-UHFFFAOYSA-N 1 0 360.483 2.119 20 30 FEEDRO C=C(Cl)C[C@@H]1NC(=O)N(CC2([NH+]3CCC(OC)CC3)CCCC2)C1=O ZINC000865302794 683964306 /nfs/dbraw/zinc/96/43/06/683964306.db2.gz USPMELQNXWKWSQ-HNNXBMFYSA-N 1 0 369.893 2.473 20 30 FEEDRO N#Cc1cccc(Br)c1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000865560638 683998294 /nfs/dbraw/zinc/99/82/94/683998294.db2.gz APVQNBXJOGXKLP-CYBMUJFWSA-N 1 0 350.260 2.479 20 30 FEEDRO CC1(C)CC[NH2+]CCN1S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000866804501 684156462 /nfs/dbraw/zinc/15/64/62/684156462.db2.gz YXDVQFORNKYREQ-UHFFFAOYSA-N 1 0 361.389 2.340 20 30 FEEDRO C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC1=CC[N@H+](C)CC1 ZINC000867229517 684229833 /nfs/dbraw/zinc/22/98/33/684229833.db2.gz JOIXKZLXSRDOOL-AWEZNQCLSA-N 1 0 357.882 2.400 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2CCC([C@H]3CCC[NH2+]CC3)CC2)s1 ZINC000923702657 684335401 /nfs/dbraw/zinc/33/54/01/684335401.db2.gz ONCFRGMPUBTXJL-ZDUSSCGKSA-N 1 0 353.513 2.410 20 30 FEEDRO C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)c3ccc(C(F)(F)F)cc3C#N)CC[C@@H]21 ZINC000867813315 684397266 /nfs/dbraw/zinc/39/72/66/684397266.db2.gz UXYXSFKPDUHFGE-RISCZKNCSA-N 1 0 373.400 2.292 20 30 FEEDRO COC[C@@H](NC(=O)[C@@H]([NH3+])CCCC#N)c1cccc(Br)c1 ZINC000868024097 684440484 /nfs/dbraw/zinc/44/04/84/684440484.db2.gz HBKMNVCYPMVSKQ-UONOGXRCSA-N 1 0 354.248 2.274 20 30 FEEDRO CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000868311425 684479121 /nfs/dbraw/zinc/47/91/21/684479121.db2.gz SWTMVWYXWWOIKV-GOSISDBHSA-N 1 0 362.861 2.374 20 30 FEEDRO CSc1ccc(CN2C(=O)N[C@@H](C[NH+]3CCCCC3)C2=O)cc1C#N ZINC000925120061 684525434 /nfs/dbraw/zinc/52/54/34/684525434.db2.gz VGIGXESYIAAMEX-HNNXBMFYSA-N 1 0 358.467 2.186 20 30 FEEDRO C[NH+](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)OCC1CCC(C#N)CC1 ZINC000870317232 684705425 /nfs/dbraw/zinc/70/54/25/684705425.db2.gz QZQHQKWEAZYVSX-NRXISQOPSA-N 1 0 353.463 2.314 20 30 FEEDRO C#CCN(CC(=O)N1CCC(CC)([NH+](C)C)CC1)C(=O)OC(C)(C)C ZINC000870572874 684730876 /nfs/dbraw/zinc/73/08/76/684730876.db2.gz AFLJQIPZLPKFPR-UHFFFAOYSA-N 1 0 351.491 2.190 20 30 FEEDRO N#CCCCC[C@@H]([NH3+])C(=O)N[C@@H]1COc2cccc(Br)c2C1 ZINC000871008354 684779551 /nfs/dbraw/zinc/77/95/51/684779551.db2.gz RZAXCHBWMNZAGF-SMDDNHRTSA-N 1 0 366.259 2.280 20 30 FEEDRO C#CCNC(=O)CC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)CC(C)(C)C1 ZINC000872221839 684929053 /nfs/dbraw/zinc/92/90/53/684929053.db2.gz ZEIYTRKGEWDPOW-OAHLLOKOSA-N 1 0 351.491 2.141 20 30 FEEDRO N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)NC[C@H](O)c1ccccc1Cl ZINC000876587080 686225069 /nfs/dbraw/zinc/22/50/69/686225069.db2.gz GJCBAAACBGAJBJ-ZWKOTPCHSA-N 1 0 355.825 2.248 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)Nc1ccc(F)c(-n2nnnc2C2CC2)c1 ZINC000876672947 686240582 /nfs/dbraw/zinc/24/05/82/686240582.db2.gz SNLWPZXYSOYFDO-LBPRGKRZSA-N 1 0 350.785 2.087 20 30 FEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC(C(=O)Nc2ccc(C)cn2)CC1 ZINC000876727251 686254412 /nfs/dbraw/zinc/25/44/12/686254412.db2.gz GEGCGCCRLXBTPN-CQSZACIVSA-N 1 0 350.850 2.037 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC(c2nc(-c3ccccn3)no2)CC1 ZINC000876746165 686259347 /nfs/dbraw/zinc/25/93/47/686259347.db2.gz UUPFNVYJDJOMSJ-ZDUSSCGKSA-N 1 0 361.833 2.308 20 30 FEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCN(C(=O)Nc2ccc(C)cc2)CC1 ZINC000876886469 686287639 /nfs/dbraw/zinc/28/76/39/686287639.db2.gz XRWYZBYAZZQXMN-OAHLLOKOSA-N 1 0 350.850 2.141 20 30 FEEDRO C=CC[C@H](CO)C[NH2+]Cc1cc(C2CN(C(=O)OC(C)(C)C)C2)no1 ZINC000877129913 686330257 /nfs/dbraw/zinc/33/02/57/686330257.db2.gz GSTBRXUKJDSOFK-ZDUSSCGKSA-N 1 0 351.447 2.283 20 30 FEEDRO N#CCOc1ccc(Cl)cc1Cn1cc([C@@H]([NH3+])C2CCOCC2)nn1 ZINC000881302164 687123050 /nfs/dbraw/zinc/12/30/50/687123050.db2.gz NBXJGKODBFZDEN-KRWDZBQOSA-N 1 0 361.833 2.309 20 30 FEEDRO CN(C)CC[N@H+](C)CCCN(C)c1ncc(C#N)cc1Br ZINC000882379945 687357008 /nfs/dbraw/zinc/35/70/08/687357008.db2.gz LQICPHYOVUMWER-UHFFFAOYSA-N 1 0 354.296 2.035 20 30 FEEDRO CC(C)C[NH2+]C1(CO)CCN(c2ncc(C#N)cc2Br)CC1 ZINC000882415676 687363307 /nfs/dbraw/zinc/36/33/07/687363307.db2.gz RYGCKQPXEFLPPF-UHFFFAOYSA-N 1 0 367.291 2.293 20 30 FEEDRO C=CCCc1ccc(S(=O)(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC000882417791 687364196 /nfs/dbraw/zinc/36/41/96/687364196.db2.gz BYDQMAKTIHLVTP-GOSISDBHSA-N 1 0 364.511 2.025 20 30 FEEDRO C[C@H]1CN(S(=O)(=O)c2ccccc2CC#N)CCN1c1cc[nH+]cc1 ZINC000882620272 687411586 /nfs/dbraw/zinc/41/15/86/687411586.db2.gz CNBQVIJOBVVJHO-HNNXBMFYSA-N 1 0 356.451 2.047 20 30 FEEDRO N#Cc1nc(NC(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)ccc1Br ZINC000883080001 687558782 /nfs/dbraw/zinc/55/87/82/687558782.db2.gz MWUWIUGBYVVAEY-GHMZBOCLSA-N 1 0 364.247 2.464 20 30 FEEDRO C=CCC[C@@H]([NH2+]Cc1ccc(CS(=O)(=O)NC)cc1)[C@H]1CCCO1 ZINC000883175313 687581938 /nfs/dbraw/zinc/58/19/38/687581938.db2.gz DOJCSLUCQXWHSW-QZTJIDSGSA-N 1 0 352.500 2.339 20 30 FEEDRO N#Cc1cc(S(=O)(=O)N(CCC[NH3+])CC(F)(F)F)ccc1Cl ZINC000883469937 687638520 /nfs/dbraw/zinc/63/85/20/687638520.db2.gz GOVPNOXWYUXKBX-UHFFFAOYSA-N 1 0 355.769 2.113 20 30 FEEDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884061972 687781686 /nfs/dbraw/zinc/78/16/86/687781686.db2.gz ARUCBFPEABLPNT-JZLYGMAVSA-N 1 0 362.817 2.346 20 30 FEEDRO CN(C)C(=O)c1cc(NC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)ccc1Cl ZINC000884077493 687784782 /nfs/dbraw/zinc/78/47/82/687784782.db2.gz NJJXRYVJEWGKFP-LASWEOPPSA-N 1 0 360.845 2.120 20 30 FEEDRO N#C[C@@H]1C[NH2+]CC12CC(C(=O)NCc1ccc(Br)c(F)c1)C2 ZINC000884108475 687791286 /nfs/dbraw/zinc/79/12/86/687791286.db2.gz CJZJITBWBOMUQF-BWBHSNQOSA-N 1 0 366.234 2.344 20 30 FEEDRO N#C[C@H]1C[NH2+]CC12CC(C(=O)N1CCO[C@H](c3cccc(Cl)c3)C1)C2 ZINC000884316402 687845973 /nfs/dbraw/zinc/84/59/73/687845973.db2.gz RGHFIXXKWMCGMW-QZDWLRDRSA-N 1 0 359.857 2.379 20 30 FEEDRO COc1cc(NC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)ccc1OC(F)F ZINC000884415210 687866962 /nfs/dbraw/zinc/86/69/62/687866962.db2.gz NVYURIFKFJIEMQ-GCULGPDHSA-N 1 0 351.353 2.374 20 30 FEEDRO C=CC(C)(C)CCCNC(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000885095771 688015807 /nfs/dbraw/zinc/01/58/07/688015807.db2.gz AOQSDLCGXQOMPA-OLZOCXBDSA-N 1 0 363.424 2.081 20 30 FEEDRO C#CCN(C(=O)c1cnc(F)c(Br)c1)C1CC[NH+](C)CC1 ZINC000886574458 688278114 /nfs/dbraw/zinc/27/81/14/688278114.db2.gz HEOUDRPVTFORAJ-UHFFFAOYSA-N 1 0 354.223 2.153 20 30 FEEDRO C=C(C)CNc1nc(-c2cn(CCN3CC[C@@H]([NH+](C)C)C3)nn2)cs1 ZINC000887467319 688431206 /nfs/dbraw/zinc/43/12/06/688431206.db2.gz NBZWFHVDUDHGPJ-CQSZACIVSA-N 1 0 361.519 2.026 20 30 FEEDRO Cc1nc(SCC(=O)N2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)c(C#N)c(C)c1C ZINC000887937848 688523466 /nfs/dbraw/zinc/52/34/66/688523466.db2.gz NOKKBPWNHUXTNM-BEFAXECRSA-N 1 0 358.511 2.381 20 30 FEEDRO CN(Cc1cc(C#N)cs1)C(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000887971084 688528113 /nfs/dbraw/zinc/52/81/13/688528113.db2.gz PPHGVJKVQBYJSF-IBGZPJMESA-N 1 0 355.463 2.215 20 30 FEEDRO C#CCSCC(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000889198213 688744254 /nfs/dbraw/zinc/74/42/54/688744254.db2.gz JRHZFBNBKRIHDH-QGZVFWFLSA-N 1 0 359.495 2.158 20 30 FEEDRO C=C(Br)CNC(=O)N1CC[NH2+]C[C@H]1c1cccc(OC)c1 ZINC000891443188 689063111 /nfs/dbraw/zinc/06/31/11/689063111.db2.gz BTWTVSZPCDTPPX-AWEZNQCLSA-N 1 0 354.248 2.260 20 30 FEEDRO C[NH+](C)[C@@H](CNC(=O)N1CCC2(CC1)CC(=O)C=CO2)c1cccs1 ZINC000891507980 689071462 /nfs/dbraw/zinc/07/14/62/689071462.db2.gz JWCFVFNHPUANBH-HNNXBMFYSA-N 1 0 363.483 2.398 20 30 FEEDRO N#Cc1csc(CNC(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC000892019852 689141507 /nfs/dbraw/zinc/14/15/07/689141507.db2.gz OMCYKCZFNGRXLW-OAHLLOKOSA-N 1 0 355.467 2.479 20 30 FEEDRO COC(=O)[C@@H]1[C@@H](C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)C1(F)F ZINC000893996140 689446041 /nfs/dbraw/zinc/44/60/41/689446041.db2.gz ZBHUIMGLFJCHLZ-CVEARBPZSA-N 1 0 350.365 2.456 20 30 FEEDRO C[C@H]1C[N@H+](CCCNC(=O)N(C)Cc2cc(C#N)cs2)CCCO1 ZINC000894448991 689533687 /nfs/dbraw/zinc/53/36/87/689533687.db2.gz RBYUCTLGNDAEII-AWEZNQCLSA-N 1 0 350.488 2.262 20 30 FEEDRO C#CCN(C(=O)C[NH+](CC)CC)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000899271057 690328366 /nfs/dbraw/zinc/32/83/66/690328366.db2.gz SSXAHMWKEYAZBZ-UHFFFAOYSA-N 1 0 351.491 2.190 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)N[C@H](CCC)C(=O)N1CCc2sccc2C1 ZINC000900518100 690526970 /nfs/dbraw/zinc/52/69/70/690526970.db2.gz ASMMEKSTSFAWPK-MRXNPFEDSA-N 1 0 363.527 2.426 20 30 FEEDRO C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+][C@@H]1CCc2ncc(Br)n2C1 ZINC000901730380 690685649 /nfs/dbraw/zinc/68/56/49/690685649.db2.gz WFYQOXWPCQMQSC-CHWSQXEVSA-N 1 0 369.307 2.363 20 30 FEEDRO CC[NH+]1CCC(NS(=O)(=O)c2ccc(Br)c(C#N)c2)CC1 ZINC000901839627 690700844 /nfs/dbraw/zinc/70/08/44/690700844.db2.gz TYOBYQQCDCCGJS-UHFFFAOYSA-N 1 0 372.288 2.083 20 30 FEEDRO C#CCN(CN1C(=S)N=NC1Cc1cccs1)C1CC[NH+](C)CC1 ZINC000902538427 690775884 /nfs/dbraw/zinc/77/58/84/690775884.db2.gz IRNIADLVMQKPJN-UHFFFAOYSA-N 1 0 361.540 2.206 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H]1C[C@H](NC(=O)OC(C)(C)C)C12CCOCC2 ZINC000903180188 690862422 /nfs/dbraw/zinc/86/24/22/690862422.db2.gz XHPOGBZLNUBMJK-UGUYLWEFSA-N 1 0 352.475 2.382 20 30 FEEDRO C=CCC[C@@H](COc1ccccc1)[NH2+]C[C@@]1(OC)CCS(=O)(=O)C1 ZINC000903363890 690886236 /nfs/dbraw/zinc/88/62/36/690886236.db2.gz SIZWWWDMGBVWAW-WMZOPIPTSA-N 1 0 353.484 2.194 20 30 FEEDRO N#Cc1cc(S(=O)(=O)N2CCCC[C@@H]2CC[NH3+])ccc1Br ZINC000903498794 690901658 /nfs/dbraw/zinc/90/16/58/690901658.db2.gz IYZFIPKDHVKBQS-GFCCVEGCSA-N 1 0 372.288 2.213 20 30 FEEDRO N#Cc1sccc1S(=O)(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000903510800 690905127 /nfs/dbraw/zinc/90/51/27/690905127.db2.gz LOKBMAVADXDDSR-UHFFFAOYSA-N 1 0 351.497 2.052 20 30 FEEDRO C=CCCc1ccc(S(=O)(=O)N[C@@H]2C[NH2+]CC3(CCOCC3)C2)cc1 ZINC000903544769 690918993 /nfs/dbraw/zinc/91/89/93/690918993.db2.gz YQZNGTBUKCODDM-KRWDZBQOSA-N 1 0 364.511 2.242 20 30 FEEDRO N#Cc1ccc(CS(=O)(=O)N2C[C@@H](C[NH3+])Cc3cc(F)ccc32)cc1 ZINC000903587874 690932784 /nfs/dbraw/zinc/93/27/84/690932784.db2.gz DIBJSNTZMBZRKQ-OAHLLOKOSA-N 1 0 359.426 2.165 20 30 FEEDRO N#CCc1ccccc1S(=O)(=O)N1C[C@@H](C[NH3+])Cc2cc(F)ccc21 ZINC000903589837 690934001 /nfs/dbraw/zinc/93/40/01/690934001.db2.gz ZAACSAFZSKQTHS-CYBMUJFWSA-N 1 0 359.426 2.218 20 30 FEEDRO N#Cc1cccc(CS(=O)(=O)N2CCCc3cc(CC[NH3+])ccc32)c1 ZINC000903599237 690936066 /nfs/dbraw/zinc/93/60/66/690936066.db2.gz JSHGJVOWPXKSCS-UHFFFAOYSA-N 1 0 355.463 2.342 20 30 FEEDRO C=CCC(C)(C)c1noc(-c2cc(Br)cn(CC[NH3+])c2=O)n1 ZINC000904725495 691042837 /nfs/dbraw/zinc/04/28/37/691042837.db2.gz YNJPXROSANHERN-UHFFFAOYSA-N 1 0 367.247 2.473 20 30 FEEDRO C=C(C[NH2+]C[C@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1)c1ccccc1 ZINC000905262134 691091087 /nfs/dbraw/zinc/09/10/87/691091087.db2.gz OGYYINYJDDZYOJ-KRWDZBQOSA-N 1 0 366.527 2.291 20 30 FEEDRO C=C(C)C[C@H](CO)[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000905455235 691121395 /nfs/dbraw/zinc/12/13/95/691121395.db2.gz XVGJCVHNSFYKQV-ZIAGYGMSSA-N 1 0 362.239 2.245 20 30 FEEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+]C[C@H]2CC[C@@H](C(F)(F)F)O2)c1 ZINC000905516027 691129920 /nfs/dbraw/zinc/12/99/20/691129920.db2.gz IVLQGGMDGZTAME-OCCSQVGLSA-N 1 0 362.373 2.031 20 30 FEEDRO N#Cc1ccccc1OC[C@H](O)C[NH2+]C[C@@H]1CCC[C@@H](C(F)(F)F)O1 ZINC000905565094 691141900 /nfs/dbraw/zinc/14/19/00/691141900.db2.gz GPSHKNQJNGXVAN-YCPHGPKFSA-N 1 0 358.360 2.388 20 30 FEEDRO C[N@@H+]1C[C@@H]2CN(S(=O)(=O)c3ccc(C(F)(F)F)cc3C#N)C[C@]2(C)C1 ZINC000907554652 691518364 /nfs/dbraw/zinc/51/83/64/691518364.db2.gz PBCNKXPNQMSUBQ-HIFRSBDPSA-N 1 0 373.400 2.149 20 30 FEEDRO CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccsc1C#N ZINC000907554780 691518399 /nfs/dbraw/zinc/51/83/99/691518399.db2.gz QUNLHDXOEVZZTL-LJQANCHMSA-N 1 0 355.463 2.329 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)N(CCO)Cc1cc(Br)cs1 ZINC000907728043 691548075 /nfs/dbraw/zinc/54/80/75/691548075.db2.gz PRICRPDZHLDHNV-UHFFFAOYSA-N 1 0 361.305 2.339 20 30 FEEDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1ncc([N+](=O)[O-])cc1C#N)[C@H]2C ZINC001164856194 720951411 /nfs/dbraw/zinc/95/14/11/720951411.db2.gz CHYMADBVLBSPRA-ZDUSSCGKSA-N 1 0 369.429 2.479 20 30 FEEDRO N#Cc1cc(Cl)nnc1N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164900135 721522028 /nfs/dbraw/zinc/52/20/28/721522028.db2.gz OKJFWLDZFXKQOB-GDBMZVCRSA-N 1 0 373.819 2.483 20 30 FEEDRO Cc1nc(C#N)cnc1N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164912100 721548533 /nfs/dbraw/zinc/54/85/33/721548533.db2.gz YRRJPMHAWFGNQU-WMZOPIPTSA-N 1 0 353.401 2.138 20 30 FEEDRO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2c1nc(C#N)c(Cl)cc1Cl ZINC001164929371 721886498 /nfs/dbraw/zinc/88/64/98/721886498.db2.gz BFUMQEIVKXFVNZ-GJZGRUSLSA-N 1 0 354.285 2.475 20 30 FEEDRO Cc1cc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)ncc1C#N ZINC001164981573 722111287 /nfs/dbraw/zinc/11/12/87/722111287.db2.gz UNSHLMWLUDIQAT-UYAOXDASSA-N 1 0 363.465 2.384 20 30 FEEDRO N#Cc1c(F)ccnc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164979210 722126081 /nfs/dbraw/zinc/12/60/81/722126081.db2.gz POVJIDWZPQWWOK-APWZRJJASA-N 1 0 367.428 2.215 20 30 FEEDRO CC[NH+](CC)[C@@H](CNC(=O)CNc1ccc(C#N)cn1)Cc1ccccc1 ZINC000497655551 883498191 /nfs/dbraw/zinc/49/81/91/883498191.db2.gz DHOZENSNJRICCS-LJQANCHMSA-N 1 0 365.481 2.434 20 30 FEEDRO Cc1cc(C)cc(N(CCC#N)C(=O)CSc2nc(N)cc(N)[nH+]2)c1 ZINC000011390926 539527691 /nfs/dbraw/zinc/52/76/91/539527691.db2.gz XSICPZMXCHSAOA-UHFFFAOYSA-N 1 0 356.455 2.297 20 30 FEEDRO C=CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(C[NH+](C)C)cc2)c1 ZINC000029952752 539869683 /nfs/dbraw/zinc/86/96/83/539869683.db2.gz AJPGWNPIPGUJNU-UHFFFAOYSA-N 1 0 373.478 2.465 20 30 FEEDRO Cc1ccccc1C[N@@H+]1CCCN(CC(=O)N[C@@](C)(C#N)C2CC2)CC1 ZINC000030153923 539874713 /nfs/dbraw/zinc/87/47/13/539874713.db2.gz WFHHPVMOPWLNEM-NRFANRHFSA-N 1 0 354.498 2.311 20 30 FEEDRO C[C@@H](CNC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1)[N@@H+]1CCC[C@H](C)C1 ZINC000041655015 540029415 /nfs/dbraw/zinc/02/94/15/540029415.db2.gz HRRRLWPMNGNYJJ-STQMWFEESA-N 1 0 362.861 2.387 20 30 FEEDRO N#Cc1ccc(CN2CCN(C(=O)NC3CC[NH+](C4CC4)CC3)CC2)cc1 ZINC000045410461 540212111 /nfs/dbraw/zinc/21/21/11/540212111.db2.gz OAGXOUGAPOAFOR-UHFFFAOYSA-N 1 0 367.497 2.012 20 30 FEEDRO Cc1c([C@H](C)NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cnn1C ZINC000047006353 540284125 /nfs/dbraw/zinc/28/41/25/540284125.db2.gz ZFCDAFIXLHRSSB-HNNXBMFYSA-N 1 0 368.485 2.435 20 30 FEEDRO N#Cc1ccc(CN2CCN(C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@H]34)CC2)cc1 ZINC000047106076 540290496 /nfs/dbraw/zinc/29/04/96/540290496.db2.gz LXLTXSIMAPPNRE-WOJBJXKFSA-N 1 0 367.497 2.012 20 30 FEEDRO C=CCOc1ccc(C(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)cc1OC ZINC000047434106 540310479 /nfs/dbraw/zinc/31/04/79/540310479.db2.gz GACGSDVUKNUZAA-HOTGVXAUSA-N 1 0 362.470 2.489 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1nc2nc(C)cc(C)n2n1)C(C)C ZINC000047852015 540330680 /nfs/dbraw/zinc/33/06/80/540330680.db2.gz GTEMUFKIWQYYNI-MRXNPFEDSA-N 1 0 356.474 2.170 20 30 FEEDRO CC(C)[C@H](CNC(=O)CSCc1ccc(C#N)cc1)N1CC[NH+](C)CC1 ZINC000048131689 540346497 /nfs/dbraw/zinc/34/64/97/540346497.db2.gz AMVHZGFGFRIAKM-IBGZPJMESA-N 1 0 374.554 2.180 20 30 FEEDRO CCCCNC(=O)[C@H]1CCC[N@H+](CC(=O)N(C)C2(C#N)CCCCC2)C1 ZINC000051062923 540421782 /nfs/dbraw/zinc/42/17/82/540421782.db2.gz CHEOWAZLKYEUIJ-KRWDZBQOSA-N 1 0 362.518 2.300 20 30 FEEDRO N#Cc1ccccc1N1CCC[N@@H+](Cc2cc(=O)n3ccccc3n2)CC1 ZINC000052801155 540490052 /nfs/dbraw/zinc/49/00/52/540490052.db2.gz GRWJKIZSOFUQCF-UHFFFAOYSA-N 1 0 359.433 2.278 20 30 FEEDRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNS(=O)(=O)N(C)CCC#N ZINC000056064619 540698858 /nfs/dbraw/zinc/69/88/58/540698858.db2.gz YEUYABWIZWHSPR-INIZCTEOSA-N 1 0 364.515 2.241 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N[C@@H](c2nccn2C)c2ccccc2F)CC1 ZINC000057154071 540773574 /nfs/dbraw/zinc/77/35/74/540773574.db2.gz ZXSIPRBUBINVPB-GOSISDBHSA-N 1 0 354.429 2.110 20 30 FEEDRO CC[N@@H+]1CCCN(C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CC1 ZINC000541102821 541150857 /nfs/dbraw/zinc/15/08/57/541150857.db2.gz JGLYQTASTFZASX-UHFFFAOYSA-N 1 0 356.405 2.443 20 30 FEEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N(CC[NH+](C)C)c1ccccc1 ZINC000063829402 541187356 /nfs/dbraw/zinc/18/73/56/541187356.db2.gz PRWTXQRCTQRBAF-UHFFFAOYSA-N 1 0 366.465 2.391 20 30 FEEDRO N#Cc1ccc(C[N@@H+](CCC(=O)NC(N)=O)Cc2cccc(F)c2)cc1 ZINC000064620914 541212799 /nfs/dbraw/zinc/21/27/99/541212799.db2.gz ZHPXRHZLUFYEAU-UHFFFAOYSA-N 1 0 354.385 2.285 20 30 FEEDRO Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCCN(c2ncccc2C#N)CC1 ZINC000066437840 541318833 /nfs/dbraw/zinc/31/88/33/541318833.db2.gz GXWXIHIYVZUWRL-IBGZPJMESA-N 1 0 366.465 2.214 20 30 FEEDRO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCC(NC(=O)c2ccoc2C)CC1 ZINC000066890501 541386640 /nfs/dbraw/zinc/38/66/40/541386640.db2.gz BNPDBCWIYBCJDW-OAHLLOKOSA-N 1 0 359.470 2.371 20 30 FEEDRO COc1cc(C[NH2+]C2CCN(c3ccc(C#N)cn3)CC2)cc2c1OCO2 ZINC000067011107 541406079 /nfs/dbraw/zinc/40/60/79/541406079.db2.gz PXSTZALVUHUBIC-UHFFFAOYSA-N 1 0 366.421 2.449 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)Nc2cc(C(N)=O)ccc2N2CCCCC2)CC1 ZINC000067142654 541424191 /nfs/dbraw/zinc/42/41/91/541424191.db2.gz OFVZQRKREYDXBN-UHFFFAOYSA-N 1 0 368.481 2.060 20 30 FEEDRO CC(=O)NC[C@H]1CCC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000067414215 541459806 /nfs/dbraw/zinc/45/98/06/541459806.db2.gz UHUATPQTAPPJRW-FUHWJXTLSA-N 1 0 356.470 2.170 20 30 FEEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)CCOC[C@H]1CCCO1 ZINC000068310180 541575028 /nfs/dbraw/zinc/57/50/28/541575028.db2.gz OFMUPQQPNSCWQG-LJQANCHMSA-N 1 0 359.470 2.034 20 30 FEEDRO C[C@@H](OC[C@H]1CCCCO1)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000069354572 541680184 /nfs/dbraw/zinc/68/01/84/541680184.db2.gz CMIOLGWCTRMLGU-YLJYHZDGSA-N 1 0 373.497 2.423 20 30 FEEDRO CC[NH+](CC)CCNC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000069378829 541681472 /nfs/dbraw/zinc/68/14/72/541681472.db2.gz BDZGAMHTNQYAHV-MRXNPFEDSA-N 1 0 361.465 2.307 20 30 FEEDRO C[C@@H](CC(=O)N(CCC#N)CCC[NH+](C)C)NC(=O)C1CCCCC1 ZINC000069576233 541698058 /nfs/dbraw/zinc/69/80/58/541698058.db2.gz DUZPEHFYZYYETD-INIZCTEOSA-N 1 0 350.507 2.155 20 30 FEEDRO N#Cc1c(Cl)cccc1S(=O)(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000072990045 541905737 /nfs/dbraw/zinc/90/57/37/541905737.db2.gz CHDZMCHOHSKEGE-UHFFFAOYSA-N 1 0 362.842 2.118 20 30 FEEDRO CC(C)[NH+]1CCC(C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)CC1 ZINC000073681378 541986537 /nfs/dbraw/zinc/98/65/37/541986537.db2.gz SXGZFZBKGBCROY-HXUWFJFHSA-N 1 0 354.498 2.343 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N(C)[C@@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000074130170 542040672 /nfs/dbraw/zinc/04/06/72/542040672.db2.gz UBLPBDBNFFZEEI-LJQANCHMSA-N 1 0 370.497 2.474 20 30 FEEDRO CN(CC(=O)N(CCC#N)CCC#N)C1CC[NH+](Cc2ccccc2)CC1 ZINC000074322129 542069538 /nfs/dbraw/zinc/06/95/38/542069538.db2.gz QDNRXHVXRBDVIV-UHFFFAOYSA-N 1 0 367.497 2.239 20 30 FEEDRO C=CCN1C(=O)c2ccc(C(=O)N3CCC[N@@H+](C(C)C)CC3)cc2C1=O ZINC000075693974 542199004 /nfs/dbraw/zinc/19/90/04/542199004.db2.gz UEVJOOVDMLXZNT-UHFFFAOYSA-N 1 0 355.438 2.025 20 30 FEEDRO N#Cc1cccc(-c2nnc(CN3CCC[C@@H](C[NH+]4CCOCC4)C3)o2)c1 ZINC000075739227 542201391 /nfs/dbraw/zinc/20/13/91/542201391.db2.gz NKHVOKDJUDGQSG-KRWDZBQOSA-N 1 0 367.453 2.152 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N[C@H](c2nc(-c3cccnc3)no2)C(C)C)CC1 ZINC000076141461 542236456 /nfs/dbraw/zinc/23/64/56/542236456.db2.gz ADASOKOMJQHCTA-KRWDZBQOSA-N 1 0 367.453 2.290 20 30 FEEDRO COc1cc(C#N)ccc1OCC[N@@H+]1CCCC[C@@H]1CN1CCCC1=O ZINC000077286417 542361806 /nfs/dbraw/zinc/36/18/06/542361806.db2.gz CDNCWOKWIKKVIW-QGZVFWFLSA-N 1 0 357.454 2.423 20 30 FEEDRO Cc1cc(C#N)ccc1S(=O)(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000077386827 542376550 /nfs/dbraw/zinc/37/65/50/542376550.db2.gz AFUABLBPLVPPJL-GOSISDBHSA-N 1 0 357.479 2.318 20 30 FEEDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000077541726 542395204 /nfs/dbraw/zinc/39/52/04/542395204.db2.gz GWKSKWZNAZMXME-HZSPNIEDSA-N 1 0 360.433 2.118 20 30 FEEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)NCC1CC[NH+](C)CC1 ZINC000077823582 542424380 /nfs/dbraw/zinc/42/43/80/542424380.db2.gz LSYJUJLTSMCOKT-CQSZACIVSA-N 1 0 374.510 2.335 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N2CCC(OC[C@H]3CCCCO3)CC2)CC1 ZINC000078331670 542455496 /nfs/dbraw/zinc/45/54/96/542455496.db2.gz UWANISDWPJZQAR-LJQANCHMSA-N 1 0 365.518 2.397 20 30 FEEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000801959045 674157125 /nfs/dbraw/zinc/15/71/25/674157125.db2.gz FXKHXBFSPFAGRR-JCURWCKSSA-N 1 0 351.853 2.342 20 30 FEEDRO CC[NH+](CC)CCOC1CCN(CC(=O)NC2(C#N)CCCCC2)CC1 ZINC000080645779 542598677 /nfs/dbraw/zinc/59/86/77/542598677.db2.gz MMNKJENDAWGVDQ-UHFFFAOYSA-N 1 0 364.534 2.152 20 30 FEEDRO C#CCNC(=O)c1ccc(NCC2(C[NH+]3CCOCC3)CCCCC2)nc1 ZINC000081033841 542626857 /nfs/dbraw/zinc/62/68/57/542626857.db2.gz ALCIMDLJDFTICM-UHFFFAOYSA-N 1 0 370.497 2.139 20 30 FEEDRO CCN1CC[NH+](CCCCNC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)CC1 ZINC000081725005 542673848 /nfs/dbraw/zinc/67/38/48/542673848.db2.gz WCBFNMQIPHRCKZ-VQTJNVASSA-N 1 0 354.498 2.196 20 30 FEEDRO CC(=O)Nc1cccc(OCCNC(=[NH2+])N[C@H]2CCOc3ccccc32)c1 ZINC000083052564 542691370 /nfs/dbraw/zinc/69/13/70/542691370.db2.gz MALKGRAEZPPOSN-SFHVURJKSA-N 1 0 368.437 2.452 20 30 FEEDRO CC[NH+]=C(NCC1CCSCC1)N[C@H]1CCCN(c2ncccn2)C1 ZINC000086881523 542740071 /nfs/dbraw/zinc/74/00/71/542740071.db2.gz MOEKPQGYNPEQMG-INIZCTEOSA-N 1 0 362.547 2.144 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccc(C)c(S(C)(=O)=O)c2)CC1 ZINC000089300231 542760036 /nfs/dbraw/zinc/76/00/36/542760036.db2.gz PYQWXXBHDWQFHR-UHFFFAOYSA-N 1 0 351.472 2.170 20 30 FEEDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)Cc2cccc(OCC#N)c2)[C@H](C)C1 ZINC000089770594 542770380 /nfs/dbraw/zinc/77/03/80/542770380.db2.gz FTYQMZBEEIRKPQ-XLIONFOSSA-N 1 0 373.497 2.385 20 30 FEEDRO C[C@H](O)[C@H]1CCC[N@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC000089928219 542775000 /nfs/dbraw/zinc/77/50/00/542775000.db2.gz WVPFVHRXBPUAFP-HOCLYGCPSA-N 1 0 368.399 2.266 20 30 FEEDRO C[C@H](O)[C@@H]1CCC[N@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC000089928217 542775013 /nfs/dbraw/zinc/77/50/13/542775013.db2.gz WVPFVHRXBPUAFP-GOEBONIOSA-N 1 0 368.399 2.266 20 30 FEEDRO C#CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCCN(c3ccn(C)n3)C2=O)cc1 ZINC000090116550 542782466 /nfs/dbraw/zinc/78/24/66/542782466.db2.gz KCPJRBZZFBWWMM-CRAIPNDOSA-N 1 0 352.438 2.278 20 30 FEEDRO C#CCOc1ccc([C@H](C)[NH2+][C@@H]2CCN(c3cc(C)nn3C)C2=O)cc1 ZINC000090171892 542783921 /nfs/dbraw/zinc/78/39/21/542783921.db2.gz JWPAVFHRJPZSAF-MAUKXSAKSA-N 1 0 352.438 2.197 20 30 FEEDRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1nn(C(C)C)cc1C#N ZINC000091229321 542799891 /nfs/dbraw/zinc/79/98/91/542799891.db2.gz UQQQYTFEZPSXPZ-INIZCTEOSA-N 1 0 374.489 2.045 20 30 FEEDRO C=CC[N@@H+](CCc1ccccc1)Cc1cnc(N2CCN(C)CC2)nc1 ZINC000092505678 542867150 /nfs/dbraw/zinc/86/71/50/542867150.db2.gz UHXHOYBESYTAKZ-UHFFFAOYSA-N 1 0 351.498 2.459 20 30 FEEDRO COc1cc(C#N)ccc1OCC(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000097250485 543008828 /nfs/dbraw/zinc/00/88/28/543008828.db2.gz SRNKRJGBVXBYGD-UHFFFAOYSA-N 1 0 365.433 2.120 20 30 FEEDRO CC(C)C(=O)NC[C@@H]1CCC[N@H+](CCC(=O)Nc2cccc(C#N)c2)C1 ZINC000101911686 543049264 /nfs/dbraw/zinc/04/92/64/543049264.db2.gz GNODLBMDMCMBOP-KRWDZBQOSA-N 1 0 356.470 2.371 20 30 FEEDRO N#Cc1cccc(S(=O)(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)c1 ZINC000103163854 543095671 /nfs/dbraw/zinc/09/56/71/543095671.db2.gz AHKRMMJRWYPCGK-IBGZPJMESA-N 1 0 369.490 2.401 20 30 FEEDRO C[N@H+](CCNC(=O)N1CCN(c2ccccc2C#N)CC1)C1CCCC1 ZINC000104806141 543146140 /nfs/dbraw/zinc/14/61/40/543146140.db2.gz QJIGAWQUFSMXHL-UHFFFAOYSA-N 1 0 355.486 2.264 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@H]2Cc3ccccc3CN2C(C)=O)CC1 ZINC000106037111 543186112 /nfs/dbraw/zinc/18/61/12/543186112.db2.gz AYKKEZLASFVLII-HXUWFJFHSA-N 1 0 355.482 2.117 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CC(=O)N(c3cccc(OC)c3)C2)CC1 ZINC000106036885 543186225 /nfs/dbraw/zinc/18/62/25/543186225.db2.gz UETNZWDFHGTWJE-MRXNPFEDSA-N 1 0 371.481 2.205 20 30 FEEDRO Cn1ccnc1CC1CC[NH+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000106164621 543210897 /nfs/dbraw/zinc/21/08/97/543210897.db2.gz PQXCMWUFZBTYEQ-LJQANCHMSA-N 1 0 363.465 2.352 20 30 FEEDRO C[C@@H](O)[C@H]1CCCC[N@@H+]1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000106863803 543250475 /nfs/dbraw/zinc/25/04/75/543250475.db2.gz JSQAAWPYZMOLIR-RHSMWYFYSA-N 1 0 368.399 2.408 20 30 FEEDRO CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000106867803 543251654 /nfs/dbraw/zinc/25/16/54/543251654.db2.gz RFZXCHVRLCRESI-OAHLLOKOSA-N 1 0 358.442 2.486 20 30 FEEDRO C=CCOc1ccccc1C(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000107284216 543265911 /nfs/dbraw/zinc/26/59/11/543265911.db2.gz ZBLKZDUPXHJXQN-SFHVURJKSA-N 1 0 357.498 2.494 20 30 FEEDRO C[N@@H+]1CCN(CCCNC(=O)c2ccc(C#N)cn2)[C@H](c2ccccc2)C1 ZINC000107551385 543272210 /nfs/dbraw/zinc/27/22/10/543272210.db2.gz WSRIZKJWPBUHMY-FQEVSTJZSA-N 1 0 363.465 2.062 20 30 FEEDRO CNC(=O)[C@H]1CCC[N@H+](CC(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000111268362 543390742 /nfs/dbraw/zinc/39/07/42/543390742.db2.gz JROBUCWOZALUCM-KRWDZBQOSA-N 1 0 356.470 2.008 20 30 FEEDRO N#CCCn1cc(C[NH2+]CC(=O)NCC(F)(F)F)c(-c2ccccc2)n1 ZINC000113324160 543484083 /nfs/dbraw/zinc/48/40/83/543484083.db2.gz XTWAPHJFQWFFOT-UHFFFAOYSA-N 1 0 365.359 2.232 20 30 FEEDRO Cc1ccc(-c2n[nH]cc2C[NH2+]CCNC(=O)C2N=CC=CC2=O)cc1 ZINC000113360822 543484541 /nfs/dbraw/zinc/48/45/41/543484541.db2.gz UQWPCYCUEFNDPA-HNENSFHCSA-N 1 0 351.410 2.001 20 30 FEEDRO C[C@H]1C[NH+](Cc2ccc(CNC(=O)c3ccc(C#N)nc3)cc2)C[C@H](C)O1 ZINC000115331233 543560202 /nfs/dbraw/zinc/56/02/02/543560202.db2.gz YBOCZLDDVSNPAU-HOTGVXAUSA-N 1 0 364.449 2.492 20 30 FEEDRO C=CCOc1c(Br)cc(C[NH2+]C[C@@H](O)COC)cc1OC ZINC000117946660 543642398 /nfs/dbraw/zinc/64/23/98/543642398.db2.gz HXIYKROKLBITEA-GFCCVEGCSA-N 1 0 360.248 2.119 20 30 FEEDRO COc1ccccc1[C@@H](C)NC(=O)CO[NH+]=C(N)c1ccc(N(C)C)cc1 ZINC000120367738 543678927 /nfs/dbraw/zinc/67/89/27/543678927.db2.gz MRMIWQVJRGBMAI-CQSZACIVSA-N 1 0 370.453 2.276 20 30 FEEDRO N#CCOc1ccccc1C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000122035773 543702676 /nfs/dbraw/zinc/70/26/76/543702676.db2.gz WHHYQWYRNYBQHF-ROUUACIJSA-N 1 0 357.454 2.087 20 30 FEEDRO Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123288782 543752862 /nfs/dbraw/zinc/75/28/62/543752862.db2.gz QGTFLOYDWFXLTF-DYVFJYSZSA-N 1 0 368.485 2.092 20 30 FEEDRO C=CCn1c(SCC(=O)NCCC[NH+](C)C)nnc1-c1ccccc1 ZINC000124493843 543825793 /nfs/dbraw/zinc/82/57/93/543825793.db2.gz WHPKDXOMFLVRER-UHFFFAOYSA-N 1 0 359.499 2.291 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2c2ncccn2)CC1 ZINC000124890676 543849216 /nfs/dbraw/zinc/84/92/16/543849216.db2.gz WZZOCZJXMBFOIJ-WDSOQIARSA-N 1 0 369.513 2.381 20 30 FEEDRO CCOC(=O)C1CCN(C(=O)[C@@H](C)N(C)Cc2cccc(C#N)c2)CC1 ZINC000125227854 543868600 /nfs/dbraw/zinc/86/86/00/543868600.db2.gz MQLKRURWSMDSRY-OAHLLOKOSA-N 1 0 357.454 2.180 20 30 FEEDRO N#Cc1ccc(Cl)cc1NC(=O)CN1CCCC[C@H]1[C@H]1CNC(=O)C1 ZINC000125564758 543889221 /nfs/dbraw/zinc/88/92/21/543889221.db2.gz HLNQKGGPVYJBHT-CJNGLKHVSA-N 1 0 360.845 2.141 20 30 FEEDRO CN1CC[NH+]([C@H]2CCCCN(C(=O)Nc3ccc(F)c(C#N)c3)C2)CC1 ZINC000126281144 543927771 /nfs/dbraw/zinc/92/77/71/543927771.db2.gz GLSMIXRLZZQBIB-KRWDZBQOSA-N 1 0 359.449 2.331 20 30 FEEDRO COc1cc(C#N)ccc1OCC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000126430923 543935127 /nfs/dbraw/zinc/93/51/27/543935127.db2.gz VMTFVTDKUSDWLX-SJLPKXTDSA-N 1 0 369.465 2.421 20 30 FEEDRO CCCNC(=O)C1([NH2+]C[C@H](O)COc2ccc(CC#N)cc2)CCCCC1 ZINC000127134461 543974813 /nfs/dbraw/zinc/97/48/13/543974813.db2.gz IOFMEYYAOXPUPA-SFHVURJKSA-N 1 0 373.497 2.311 20 30 FEEDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3ccc(C#N)[nH]3)cc2F)CC1 ZINC000127274907 543982262 /nfs/dbraw/zinc/98/22/62/543982262.db2.gz FDJRDBFWEBHJFA-UHFFFAOYSA-N 1 0 355.417 2.097 20 30 FEEDRO N#Cc1ccc([C@H](O)CN2CCN(C(=O)c3c(F)cccc3F)CC2)cc1 ZINC000127397467 543990424 /nfs/dbraw/zinc/99/04/24/543990424.db2.gz ZBAZORCPVHHLOZ-GOSISDBHSA-N 1 0 371.387 2.328 20 30 FEEDRO N#Cc1ccc([C@H](O)C[N@@H+]2CCCN(Cc3noc(C4CC4)n3)CC2)cc1 ZINC000127451259 543994152 /nfs/dbraw/zinc/99/41/52/543994152.db2.gz LJNXCDSBVSMXRB-GOSISDBHSA-N 1 0 367.453 2.060 20 30 FEEDRO CC[N@H+](C)Cc1cccc(CNC(=O)C(=O)Nc2ccc(F)c(C#N)c2)c1 ZINC000128797395 544073947 /nfs/dbraw/zinc/07/39/47/544073947.db2.gz IBIFDNOUILNOBU-UHFFFAOYSA-N 1 0 368.412 2.404 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)Cc2c(C)nn(CC(C)C)c2C)c1C#N ZINC000128201941 544038865 /nfs/dbraw/zinc/03/88/65/544038865.db2.gz KOOKELZAHSVYKD-UHFFFAOYSA-N 1 0 371.489 2.084 20 30 FEEDRO Cc1cc(C)n2c(CN3CCCN(c4ncccc4C#N)CC3)cnc2n1 ZINC000129666993 544122827 /nfs/dbraw/zinc/12/28/27/544122827.db2.gz IQIUNAIQFWIVPQ-UHFFFAOYSA-N 1 0 361.453 2.325 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Cc1cn2ccsc2n1 ZINC000129883044 544130548 /nfs/dbraw/zinc/13/05/48/544130548.db2.gz DTGGESYOOHFCIX-UHFFFAOYSA-N 1 0 367.478 2.400 20 30 FEEDRO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[NH2+][C@@H]2CCCC[C@@H]2C(N)=O)cc1 ZINC000130672741 544160524 /nfs/dbraw/zinc/16/05/24/544160524.db2.gz SRRUXGAPDFVRFG-BPQIPLTHSA-N 1 0 356.470 2.264 20 30 FEEDRO CC(C)(C#N)c1ccccc1CN1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000135186140 544337538 /nfs/dbraw/zinc/33/75/38/544337538.db2.gz HNXZEAIDTYGHLS-UHFFFAOYSA-N 1 0 354.498 2.228 20 30 FEEDRO C[N@H+](CCCNS(=O)(=O)c1ccc(C#N)cc1F)Cc1ccccc1 ZINC000151029480 544497679 /nfs/dbraw/zinc/49/76/79/544497679.db2.gz XPXSWFHCVXYYFH-UHFFFAOYSA-N 1 0 361.442 2.498 20 30 FEEDRO C[C@H](C#N)Oc1ccc(C[NH2+]C2CCN(S(=O)(=O)C3CC3)CC2)cc1 ZINC000151262015 544523165 /nfs/dbraw/zinc/52/31/65/544523165.db2.gz YXKFRWGDPKBSNV-CQSZACIVSA-N 1 0 363.483 2.024 20 30 FEEDRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(c2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000151620864 544562635 /nfs/dbraw/zinc/56/26/35/544562635.db2.gz TUTXRCGCBUGLBJ-MRXNPFEDSA-N 1 0 366.387 2.320 20 30 FEEDRO N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H]2C[C@H](O)c2ccco2)cc1 ZINC000151867221 544590419 /nfs/dbraw/zinc/59/04/19/544590419.db2.gz FQVRITARQINFCX-AOIWGVFYSA-N 1 0 356.422 2.479 20 30 FEEDRO CC[N@H+](C)C[C@H]1CCN(C(=O)CCCC(=O)Nc2ccccc2C#N)C1 ZINC000152069084 544610643 /nfs/dbraw/zinc/61/06/43/544610643.db2.gz FFEIPAHLSBHBGO-MRXNPFEDSA-N 1 0 356.470 2.467 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)c2ccc(=O)n(-c3ccccc3F)n2)CC1 ZINC000152852854 544702899 /nfs/dbraw/zinc/70/28/99/544702899.db2.gz LMRSRNZBZFYJJE-UHFFFAOYSA-N 1 0 370.428 2.142 20 30 FEEDRO CCc1ccc([C@@H](C)NC(=O)C[N@H+](C)CCCc2[nH]nc(N)c2C#N)cc1 ZINC000153295341 544757497 /nfs/dbraw/zinc/75/74/97/544757497.db2.gz FVCQTBBDTYOISC-CQSZACIVSA-N 1 0 368.485 2.168 20 30 FEEDRO CCOc1ccccc1NC(=O)[C@H](C)[N@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000153326998 544762006 /nfs/dbraw/zinc/76/20/06/544762006.db2.gz IXJMLGXQTZQPRA-ZDUSSCGKSA-N 1 0 370.457 2.154 20 30 FEEDRO C=C(C)CN(CC)C(=O)C(=O)Nc1ccc(CN2CC[NH+](CC)CC2)cc1 ZINC000154670142 544935218 /nfs/dbraw/zinc/93/52/18/544935218.db2.gz QQQKGDKFGCVUDU-UHFFFAOYSA-N 1 0 372.513 2.187 20 30 FEEDRO CNC(=O)CCC[N@H+](C)CC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000155012302 544976707 /nfs/dbraw/zinc/97/67/07/544976707.db2.gz TVSHRNISUHWUAC-CQSZACIVSA-N 1 0 362.499 2.335 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)NCc2ccccc2-n2nc(C)cc2C)CC1 ZINC000155193388 545000696 /nfs/dbraw/zinc/00/06/96/545000696.db2.gz NBIVMNQMQFJPQL-UHFFFAOYSA-N 1 0 350.466 2.451 20 30 FEEDRO C=CCN(C(=O)C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1)C(C)C ZINC000803221390 674229108 /nfs/dbraw/zinc/22/91/08/674229108.db2.gz YBMPUEDNBXOEAU-MRXNPFEDSA-N 1 0 363.527 2.499 20 30 FEEDRO N#Cc1cnc2c(F)c(F)c(F)cc2c1N1CC[NH+](CCCO)CC1 ZINC000552998130 674233012 /nfs/dbraw/zinc/23/30/12/674233012.db2.gz TVCXDEORXICKQS-UHFFFAOYSA-N 1 0 350.344 2.028 20 30 FEEDRO C=C(C[NH+](C)C)C(=O)Nc1ccc2c(c1)N(CC(F)F)C(=O)CS2 ZINC000803574095 674250348 /nfs/dbraw/zinc/25/03/48/674250348.db2.gz SBXCKBBKOXLZLZ-UHFFFAOYSA-N 1 0 355.410 2.447 20 30 FEEDRO C#CCCCC(=O)Nc1cccc(S(=O)(=O)NCCCC[NH+](C)C)c1 ZINC000803642904 674253218 /nfs/dbraw/zinc/25/32/18/674253218.db2.gz DSEHXTBSBNKLJF-UHFFFAOYSA-N 1 0 365.499 2.049 20 30 FEEDRO Cn1cc(C[NH2+]CCS(=O)(=O)C(C)(C)C)c(-c2ccc(C#N)cc2)n1 ZINC000180206533 327676295 /nfs/dbraw/zinc/67/62/95/327676295.db2.gz MHLKLBYAOAHSNR-UHFFFAOYSA-N 1 0 360.483 2.262 20 30 FEEDRO CC(C)[C@@H](C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)N1CCOCC1 ZINC000181427443 327730331 /nfs/dbraw/zinc/73/03/31/327730331.db2.gz DPIVWPASQMJELP-JOCHJYFZSA-N 1 0 370.541 2.469 20 30 FEEDRO N#Cc1cccnc1-n1cc(NC(=O)N2CCC[C@H]2C[NH+]2CCCC2)cn1 ZINC000184577818 327873967 /nfs/dbraw/zinc/87/39/67/327873967.db2.gz BPHLLWXQJWGENF-KRWDZBQOSA-N 1 0 365.441 2.231 20 30 FEEDRO N#Cc1ccc(C2(C(=O)NC3CC[NH+](C[C@@H]4CCOC4)CC3)CC2)cc1 ZINC000187120616 328003216 /nfs/dbraw/zinc/00/32/16/328003216.db2.gz JUVXCXZNJYVBAN-KRWDZBQOSA-N 1 0 353.466 2.207 20 30 FEEDRO C[C@@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)[C@H](C(N)=O)C1 ZINC000187409222 328023515 /nfs/dbraw/zinc/02/35/15/328023515.db2.gz AILITEJTJFVCRL-RISCZKNCSA-N 1 0 360.483 2.023 20 30 FEEDRO C[C@H]1CC[C@](CO)([N@H+](C)CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1 ZINC000188023098 328061025 /nfs/dbraw/zinc/06/10/25/328061025.db2.gz NAHMAXNGTOYWPT-YWZLYKJASA-N 1 0 367.453 2.165 20 30 FEEDRO CCN(CCC[NH+]1CCCC1)C(=O)c1ccc(-n2ncc(C#N)c2N)cc1 ZINC000188108080 328066376 /nfs/dbraw/zinc/06/63/76/328066376.db2.gz PJROHFOKYKRLPD-UHFFFAOYSA-N 1 0 366.469 2.274 20 30 FEEDRO Cc1nc(C#N)c(N2CCC(C(=O)NCC[NH+](C(C)C)C(C)C)CC2)o1 ZINC000188826323 328112798 /nfs/dbraw/zinc/11/27/98/328112798.db2.gz ZRLOGTCNTAMDQO-UHFFFAOYSA-N 1 0 361.490 2.306 20 30 FEEDRO Cn1cc(C[NH2+]CC2(c3ccc4c(c3)OCO4)CCOCC2)cc1C#N ZINC000190871708 328237352 /nfs/dbraw/zinc/23/73/52/328237352.db2.gz KBISJLDSHWYAQW-UHFFFAOYSA-N 1 0 353.422 2.463 20 30 FEEDRO C[C@H](NC(=O)C(=O)Nc1ccc(F)c(C#N)c1)[C@@H](c1ccccc1)[NH+](C)C ZINC000191253780 328256699 /nfs/dbraw/zinc/25/66/99/328256699.db2.gz FWNMKYLKVLTHIF-UGSOOPFHSA-N 1 0 368.412 2.443 20 30 FEEDRO N#Cc1ccc(Br)c(CN2CC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000191794900 328282315 /nfs/dbraw/zinc/28/23/15/328282315.db2.gz SRAVVGHJQYQLCC-OAHLLOKOSA-N 1 0 364.287 2.475 20 30 FEEDRO COc1cccc(CN(CC[NH+](C)C)C(=O)c2ccc(C#N)c(O)c2)c1 ZINC000191948900 328290109 /nfs/dbraw/zinc/29/01/09/328290109.db2.gz OQNYCQMNIFRCDC-UHFFFAOYSA-N 1 0 353.422 2.476 20 30 FEEDRO COc1ccc(C[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1O ZINC000192241827 328308747 /nfs/dbraw/zinc/30/87/47/328308747.db2.gz PKWIKILUOLCIQA-KRWDZBQOSA-N 1 0 351.406 2.163 20 30 FEEDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)C1 ZINC000193117384 328358513 /nfs/dbraw/zinc/35/85/13/328358513.db2.gz JWVONBZWXGJLJE-LSDHHAIUSA-N 1 0 359.474 2.042 20 30 FEEDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000193163341 328360700 /nfs/dbraw/zinc/36/07/00/328360700.db2.gz SSVYHPWLJWCETD-INIZCTEOSA-N 1 0 373.501 2.386 20 30 FEEDRO C[C@@H]([NH2+]C[C@@H](O)COc1ccc(C#N)cc1)c1ccc(-n2cncn2)cc1 ZINC000012900107 324373392 /nfs/dbraw/zinc/37/33/92/324373392.db2.gz NHDJXRCRIOPCQH-DNVCBOLYSA-N 1 0 363.421 2.229 20 30 FEEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000081289769 325167549 /nfs/dbraw/zinc/16/75/49/325167549.db2.gz VEPYDNIFAJOGBG-QGZVFWFLSA-N 1 0 370.497 2.177 20 30 FEEDRO N#Cc1nc(-c2ccco2)oc1N1CCN(CC[NH+]2CCCCC2)CC1 ZINC000097727392 325463708 /nfs/dbraw/zinc/46/37/08/325463708.db2.gz NTYALZRQGZOYRR-UHFFFAOYSA-N 1 0 355.442 2.414 20 30 FEEDRO N#Cc1ccccc1N1CC[NH+](C[C@H](O)COCc2cccs2)CC1 ZINC000101587241 325474251 /nfs/dbraw/zinc/47/42/51/325474251.db2.gz FCRBDKRNFCZIQN-KRWDZBQOSA-N 1 0 357.479 2.319 20 30 FEEDRO CN(Cc1ccc(C#N)cc1)C(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000118967268 326114140 /nfs/dbraw/zinc/11/41/40/326114140.db2.gz WJYYUBNJFSHSEC-UHFFFAOYSA-N 1 0 367.453 2.235 20 30 FEEDRO CC[N@H+](CC(=O)N1CCN(c2oc(C)nc2C#N)CC1)[C@H]1CCCC[C@@H]1C ZINC000120152257 326235364 /nfs/dbraw/zinc/23/53/64/326235364.db2.gz PJPVJNOTSNERMA-YJBOKZPZSA-N 1 0 373.501 2.404 20 30 FEEDRO CCC[C@@H]1CN(CC(=O)Nc2oc(C)c(C)c2C#N)CC[N@@H+]1CCOC ZINC000121646048 326354362 /nfs/dbraw/zinc/35/43/62/326354362.db2.gz UZNGSOXYWKSABY-MRXNPFEDSA-N 1 0 362.474 2.139 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)CCc2c[nH]c3ccccc23)c1C#N ZINC000128134551 326518502 /nfs/dbraw/zinc/51/85/02/326518502.db2.gz RLRRVNUUMPBZSI-UHFFFAOYSA-N 1 0 350.426 2.486 20 30 FEEDRO CCc1nnc(NCc2ccnc(OCC[NH+](C)C)c2)c(C#N)c1CC ZINC000135389359 326640504 /nfs/dbraw/zinc/64/05/04/326640504.db2.gz DKCSXWGHGNYJHI-UHFFFAOYSA-N 1 0 354.458 2.421 20 30 FEEDRO C[NH+](C)C[C@@](C)(O)CNC(=O)c1ccc(OCc2ccccc2C#N)cc1 ZINC000153159513 326725530 /nfs/dbraw/zinc/72/55/30/326725530.db2.gz GZTOAGUXXQWHGX-NRFANRHFSA-N 1 0 367.449 2.180 20 30 FEEDRO COc1ccc(C[NH2+][C@@H]2CCN(c3ccccc3OC)C2=O)cc1C#N ZINC000154463561 326760690 /nfs/dbraw/zinc/76/06/90/326760690.db2.gz QUFVXXVIMWXNLL-MRXNPFEDSA-N 1 0 351.406 2.471 20 30 FEEDRO C[C@@H]1C[N@@H+](CCCNC(=O)C(C)(C)Oc2ccc(C#N)cc2)C[C@H](C)O1 ZINC000161708526 327007227 /nfs/dbraw/zinc/00/72/27/327007227.db2.gz AYJZLMMBZGTNTA-IYBDPMFKSA-N 1 0 359.470 2.331 20 30 FEEDRO Cc1nc(C#N)c(N2CCN(C(=O)C[NH+]3CCC(C(C)(C)C)CC3)CC2)o1 ZINC000172031504 327177143 /nfs/dbraw/zinc/17/71/43/327177143.db2.gz DVNHDYPITRUBER-UHFFFAOYSA-N 1 0 373.501 2.261 20 30 FEEDRO N#Cc1cc(S(=O)(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)ccc1F ZINC000173630196 327272285 /nfs/dbraw/zinc/27/22/85/327272285.db2.gz BTRFPWMLXVONFO-AWEZNQCLSA-N 1 0 351.447 2.194 20 30 FEEDRO N#Cc1ccc(NC(=O)C(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)cc1Cl ZINC000174569963 327335519 /nfs/dbraw/zinc/33/55/19/327335519.db2.gz RWHUSFCQPUJFTD-AWEZNQCLSA-N 1 0 374.872 2.485 20 30 FEEDRO N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCC[C@H](CC(N)=O)C1)CCC2 ZINC000175251976 327382687 /nfs/dbraw/zinc/38/26/87/327382687.db2.gz KFVINAVHDBIDRM-GFCCVEGCSA-N 1 0 360.483 2.024 20 30 FEEDRO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccc(F)cc1C#N)c1ccccc1 ZINC000175938428 327422968 /nfs/dbraw/zinc/42/29/68/327422968.db2.gz LEADAXZHXRSENT-KRWDZBQOSA-N 1 0 354.385 2.055 20 30 FEEDRO Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000177491715 327526161 /nfs/dbraw/zinc/52/61/61/327526161.db2.gz PIXIITNRMVHROO-SJORKVTESA-N 1 0 368.485 2.139 20 30 FEEDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)COc2ccc(C#N)cc2)[C@@H](C)C1 ZINC000265293469 329111594 /nfs/dbraw/zinc/11/15/94/329111594.db2.gz QJKXXGJCCUDWOT-LPHOPBHVSA-N 1 0 359.470 2.190 20 30 FEEDRO C[NH+](C)CCc1ccc(CNC(=O)C(=O)Nc2ccc(F)c(C#N)c2)cc1 ZINC000276530284 330161357 /nfs/dbraw/zinc/16/13/57/330161357.db2.gz ZTUTYQWKGNKEMJ-UHFFFAOYSA-N 1 0 368.412 2.056 20 30 FEEDRO N#Cc1ccc(OCCNC(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)cc1 ZINC000361448582 330204157 /nfs/dbraw/zinc/20/41/57/330204157.db2.gz BAITVGLYNVHFDX-UHOSZYNNSA-N 1 0 354.454 2.063 20 30 FEEDRO CN(CC(=O)Nc1cccc(C#N)c1)C1CC[NH+](Cc2ccncc2)CC1 ZINC000367117790 330219216 /nfs/dbraw/zinc/21/92/16/330219216.db2.gz SXZUEKDXCHKURW-UHFFFAOYSA-N 1 0 363.465 2.488 20 30 FEEDRO COc1ccc([C@H](CCO)[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000182385049 518161372 /nfs/dbraw/zinc/16/13/72/518161372.db2.gz NPEJLEURLQXXOD-IBGZPJMESA-N 1 0 374.462 2.054 20 30 FEEDRO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@H](C)C1CCN(CC(F)(F)F)CC1 ZINC000555475366 674363537 /nfs/dbraw/zinc/36/35/37/674363537.db2.gz NDXXKCPVWNSWDB-ZIAGYGMSSA-N 1 0 362.440 2.247 20 30 FEEDRO C[NH+](C)CCN(C(=O)C(=O)Nc1ccc(Cl)c(C#N)c1)C1CCCC1 ZINC000155643400 545553245 /nfs/dbraw/zinc/55/32/45/545553245.db2.gz MWTUXFDJUWWIRD-UHFFFAOYSA-N 1 0 362.861 2.483 20 30 FEEDRO C[NH+](C)CCN(Cc1ccccc1F)C(=O)CNc1ccc(C#N)cn1 ZINC000497644930 538775191 /nfs/dbraw/zinc/77/51/91/538775191.db2.gz DTZLZZASQQDVSU-UHFFFAOYSA-N 1 0 355.417 2.095 20 30 FEEDRO N#Cc1cc(F)ccc1NC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000155929190 545584510 /nfs/dbraw/zinc/58/45/10/545584510.db2.gz KGTIUXUXCYPVMX-ACJLOTCBSA-N 1 0 370.428 2.111 20 30 FEEDRO N#Cc1cc(NC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)ccc1F ZINC000156023399 545592476 /nfs/dbraw/zinc/59/24/76/545592476.db2.gz LLQSVBKGZQDVOD-FZKQIMNGSA-N 1 0 370.428 2.111 20 30 FEEDRO CC[NH+]=C(NCCc1c[nH]c2c1cccc2C)N[C@H]1CCc2ncnn2C1 ZINC000156373038 545622097 /nfs/dbraw/zinc/62/20/97/545622097.db2.gz MTMKBAYWMHRLLE-INIZCTEOSA-N 1 0 365.485 2.180 20 30 FEEDRO CCOCCO[C@H]1CCN(CC(=O)Nc2sc(C)c(C)c2C#N)C1 ZINC000157759717 545779214 /nfs/dbraw/zinc/77/92/14/545779214.db2.gz ZFZVLDIPCOFMFV-AWEZNQCLSA-N 1 0 351.472 2.303 20 30 FEEDRO COCC[NH+](CCOC)C1CCN(C(=O)Nc2cccc(C#N)c2C)CC1 ZINC000478032371 561158589 /nfs/dbraw/zinc/15/85/89/561158589.db2.gz ZVVDKGDLISOQBI-UHFFFAOYSA-N 1 0 374.485 2.458 20 30 FEEDRO C[C@@H]1CCC[N@@H+]1C1CCN(S(=O)(=O)c2c(F)cc(C#N)cc2F)CC1 ZINC000158560161 545872245 /nfs/dbraw/zinc/87/22/45/545872245.db2.gz VIJKUOHRTJFMRV-GFCCVEGCSA-N 1 0 369.437 2.474 20 30 FEEDRO C[NH+]=C(NCc1cnc(C)s1)N[C@@H]1CCN(c2ccccc2OC)C1 ZINC000158674699 545883216 /nfs/dbraw/zinc/88/32/16/545883216.db2.gz BUXRYXACLFJJOQ-CQSZACIVSA-N 1 0 359.499 2.404 20 30 FEEDRO C#CCCCCNC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000159092430 545920823 /nfs/dbraw/zinc/92/08/23/545920823.db2.gz MSWWZYCMMAYDPN-UHFFFAOYSA-N 1 0 365.861 2.139 20 30 FEEDRO C=CCNc1ncc(C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)s1 ZINC000159446756 545954349 /nfs/dbraw/zinc/95/43/49/545954349.db2.gz GWKNFWBWRKXUBB-LSDHHAIUSA-N 1 0 364.515 2.239 20 30 FEEDRO Cc1nccc(NC(=O)N(CCC#N)CCN2CCOCC2)c1Cl ZINC000159915432 545991722 /nfs/dbraw/zinc/99/17/22/545991722.db2.gz OLMPLKKIRYQCSB-UHFFFAOYSA-N 1 0 351.838 2.123 20 30 FEEDRO N#CCSc1ccccc1NC(=O)CN1CCN(c2cc[nH+]cc2)CC1 ZINC000161393347 546127515 /nfs/dbraw/zinc/12/75/15/546127515.db2.gz LCWVAYVNUCIHCA-UHFFFAOYSA-N 1 0 367.478 2.458 20 30 FEEDRO CCC[C@H]1CN(C(=O)NCc2ccc(C#N)cc2F)CC[N@@H+]1CCOC ZINC000161752600 546134541 /nfs/dbraw/zinc/13/45/41/546134541.db2.gz HNFXODZRONNJSP-KRWDZBQOSA-N 1 0 362.449 2.340 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(N3CCOCC3)nc2C)CC1 ZINC000162435861 546139140 /nfs/dbraw/zinc/13/91/40/546139140.db2.gz AQHDDKFJQLEYKV-UHFFFAOYSA-N 1 0 373.501 2.389 20 30 FEEDRO Cc1ccc(N(CCC#N)C(=O)C[NH2+]C2(C(N)=O)CCCCC2)cc1C ZINC000164234758 546148587 /nfs/dbraw/zinc/14/85/87/546148587.db2.gz NBNOTHCJFFLTDL-UHFFFAOYSA-N 1 0 356.470 2.328 20 30 FEEDRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NS(=O)(=O)CC1(C#N)CC1 ZINC000166039189 546154119 /nfs/dbraw/zinc/15/41/19/546154119.db2.gz IYKHRSCMNBZQKQ-HZPDHXFCSA-N 1 0 361.511 2.366 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCC(C2OCCO2)CC1)C(C)C ZINC000170681849 546169826 /nfs/dbraw/zinc/16/98/26/546169826.db2.gz UKPLFJXXHPNKLE-SFHVURJKSA-N 1 0 365.518 2.480 20 30 FEEDRO COc1ccccc1CNC(=[NH2+])NC[C@@H](c1cccs1)N1CCOCC1 ZINC000170905999 546181429 /nfs/dbraw/zinc/18/14/29/546181429.db2.gz MABRFUDVEBXRPQ-INIZCTEOSA-N 1 0 374.510 2.235 20 30 FEEDRO C[C@H]1CN(C(=O)c2ccc(CNC(=[NH2+])Nc3ccccn3)cc2)C[C@H](C)O1 ZINC000170911039 546181576 /nfs/dbraw/zinc/18/15/76/546181576.db2.gz PQTCDEUEIHZPOQ-GJZGRUSLSA-N 1 0 367.453 2.258 20 30 FEEDRO COc1ccc(CCNC(=[NH2+])NCc2ccc(OCC#N)cc2)cc1OC ZINC000170914882 546182876 /nfs/dbraw/zinc/18/28/76/546182876.db2.gz QCINKMWARQYYIZ-UHFFFAOYSA-N 1 0 368.437 2.253 20 30 FEEDRO C#CCNC(=O)[C@H](C)Nc1ccc(NC(=O)C[NH+]2CCCCCCC2)cc1 ZINC000171121777 546191941 /nfs/dbraw/zinc/19/19/41/546191941.db2.gz UIXRLOFJXOMAEX-KRWDZBQOSA-N 1 0 370.497 2.441 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CC[NH+](CC(C)(C)O)CC1 ZINC000171149835 546193279 /nfs/dbraw/zinc/19/32/79/546193279.db2.gz WBYIVSACRWPJKQ-INIZCTEOSA-N 1 0 365.543 2.040 20 30 FEEDRO C#CCN(Cc1ccc(F)cc1)C(=O)NC1CC[NH+](CCCOC)CC1 ZINC000171207803 546196968 /nfs/dbraw/zinc/19/69/68/546196968.db2.gz RBDKYSHPJKUYGP-UHFFFAOYSA-N 1 0 361.461 2.471 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)NCCc2nccn2Cc2ccccc2)CC1 ZINC000171707887 546219622 /nfs/dbraw/zinc/21/96/22/546219622.db2.gz RMMKAEIBPWFSCK-UHFFFAOYSA-N 1 0 367.497 2.424 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)[C@@]23CCC(=O)N2c2ccccc2S3)CC1 ZINC000171719803 546221091 /nfs/dbraw/zinc/22/10/91/546221091.db2.gz XERMODKJSROFJY-IBGZPJMESA-N 1 0 357.479 2.382 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)NCC(=O)Nc2cccc3cccnc32)CC1 ZINC000171730671 546221365 /nfs/dbraw/zinc/22/13/65/546221365.db2.gz LSMSOCBFFYBJLW-UHFFFAOYSA-N 1 0 367.453 2.123 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@H]2CCCN(C(=O)N3CCCC3)C2)CC1 ZINC000171728909 546221521 /nfs/dbraw/zinc/22/15/21/546221521.db2.gz BPLWVIBPTVBCDD-KRWDZBQOSA-N 1 0 362.518 2.071 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2)CC1 ZINC000171729155 546221580 /nfs/dbraw/zinc/22/15/80/546221580.db2.gz QBICOSBWRRYKCN-LJQANCHMSA-N 1 0 355.482 2.448 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000171725053 546221907 /nfs/dbraw/zinc/22/19/07/546221907.db2.gz NYDNGEDITFJTHE-VOTSOKGWSA-N 1 0 360.454 2.492 20 30 FEEDRO CC[NH+]1CCN(Cc2ccc(CNC(=O)NCC(C)(C)C#N)cc2)CC1 ZINC000479384620 561188671 /nfs/dbraw/zinc/18/86/71/561188671.db2.gz YKSZDKARURHMOO-UHFFFAOYSA-N 1 0 357.502 2.173 20 30 FEEDRO Cc1cccc(N(CCC#N)C(=O)CN2CCC[C@H](OCCO)C2)c1C ZINC000172293844 546244800 /nfs/dbraw/zinc/24/48/00/546244800.db2.gz GHKDEJSAFGNPBM-SFHVURJKSA-N 1 0 359.470 2.023 20 30 FEEDRO CCCn1c(C[NH2+]CCNC(=O)C2N=CC=CC2=O)nc2ccccc21 ZINC000172630500 546262001 /nfs/dbraw/zinc/26/20/01/546262001.db2.gz DISQETTWSZCYEG-HNENSFHCSA-N 1 0 353.426 2.062 20 30 FEEDRO CCN(CC)c1ccc(C[NH2+]CCNC(=O)C2N=CC=CC2=O)cc1F ZINC000172672297 546263584 /nfs/dbraw/zinc/26/35/84/546263584.db2.gz IDSOVSIVJPMQQN-HNENSFHCSA-N 1 0 360.433 2.288 20 30 FEEDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)Nc2ccn(CCC#N)n2)[C@H](C)C1 ZINC000173370279 546279449 /nfs/dbraw/zinc/27/94/49/546279449.db2.gz XEONCBTXNDPEIC-HZPDHXFCSA-N 1 0 362.478 2.055 20 30 FEEDRO C=CCNC(=O)NC(=O)CN(CCC)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000479688801 561195062 /nfs/dbraw/zinc/19/50/62/561195062.db2.gz JIRUJQHDWIFWRA-LJQANCHMSA-N 1 0 372.513 2.375 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1ccn(-c2c(F)cccc2F)n1 ZINC000176195894 546418724 /nfs/dbraw/zinc/41/87/24/546418724.db2.gz IXUJUWPAMHKFIR-UHFFFAOYSA-N 1 0 361.396 2.458 20 30 FEEDRO CC(C)OCC[NH+]1CCC(N[C@@H](C)C(=O)Nc2ccccc2C#N)CC1 ZINC000177491694 546630556 /nfs/dbraw/zinc/63/05/56/546630556.db2.gz GUXZKQSGVKLJKN-INIZCTEOSA-N 1 0 358.486 2.364 20 30 FEEDRO CC[C@@H]1CCCC[N@@H+]1CCNS(=O)(=O)Cc1ccc(C#N)cc1F ZINC000481015596 561222790 /nfs/dbraw/zinc/22/27/90/561222790.db2.gz RPJBYVGFQQOWHV-MRXNPFEDSA-N 1 0 353.463 2.381 20 30 FEEDRO C[C@H](CNS(=O)(=O)Cc1ccc(C#N)cc1F)[NH+]1CCC(C)CC1 ZINC000481026198 561223178 /nfs/dbraw/zinc/22/31/78/561223178.db2.gz QUGOEALBCHTPPI-CQSZACIVSA-N 1 0 353.463 2.237 20 30 FEEDRO C#Cc1cccc(NC(=O)CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)c1 ZINC000177683245 546666017 /nfs/dbraw/zinc/66/60/17/546666017.db2.gz OCBAGQFFTXADJQ-QGZVFWFLSA-N 1 0 353.466 2.377 20 30 FEEDRO N#CCSc1ccccc1NC(=O)CN1CC[NH+](C2CCOCC2)CC1 ZINC000177750738 546679469 /nfs/dbraw/zinc/67/94/69/546679469.db2.gz BEHHPFQPSPKJOZ-UHFFFAOYSA-N 1 0 374.510 2.037 20 30 FEEDRO C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@@H](CNC(=O)c2ccccc2)C1 ZINC000178043964 546729663 /nfs/dbraw/zinc/72/96/63/546729663.db2.gz BOGIDBOFHJCSSU-SFHVURJKSA-N 1 0 355.482 2.329 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(SC(F)F)nc2)CC1 ZINC000178866236 546863345 /nfs/dbraw/zinc/86/33/45/546863345.db2.gz XCHKITIEMOSINN-UHFFFAOYSA-N 1 0 370.425 2.101 20 30 FEEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000179280983 546925299 /nfs/dbraw/zinc/92/52/99/546925299.db2.gz SPSWLARETLIYQZ-UHFFFAOYSA-N 1 0 374.529 2.419 20 30 FEEDRO C=CCN(CCc1ccccc1)C(=O)C(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000481829286 561243487 /nfs/dbraw/zinc/24/34/87/561243487.db2.gz JCWAPORYRUBXNH-MOPGFXCFSA-N 1 0 371.525 2.480 20 30 FEEDRO C[C@](C#N)(NC(=O)C[NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1)C1CC1 ZINC000179745006 547006645 /nfs/dbraw/zinc/00/66/45/547006645.db2.gz ILKVFLDHSWJMRE-VQTJNVASSA-N 1 0 355.438 2.307 20 30 FEEDRO Cn1cc(C[N@@H+]2CCC[C@H]2CN2CCOCC2)c(-c2ccc(C#N)cc2)n1 ZINC000179950813 547032267 /nfs/dbraw/zinc/03/22/67/547032267.db2.gz DUGDYAITBCEXOU-FQEVSTJZSA-N 1 0 365.481 2.255 20 30 FEEDRO CCN1CC[NH+](C[C@H](C)CNC(=O)Nc2ccccc2O[C@@H](C)C#N)CC1 ZINC000180017140 547039598 /nfs/dbraw/zinc/03/95/98/547039598.db2.gz NTGPRPDGHJDUNY-SJORKVTESA-N 1 0 373.501 2.373 20 30 FEEDRO C=CCC[C@@H]([NH2+]CC(=O)N(CC)[C@@H]1CCS(=O)(=O)C1)c1ccccc1 ZINC000180047497 547042936 /nfs/dbraw/zinc/04/29/36/547042936.db2.gz WYNIVMIAHHNMDD-QZTJIDSGSA-N 1 0 364.511 2.319 20 30 FEEDRO C=CCN1C(=O)c2ccc(C(=O)Nc3cc(C[NH+](C)C)ccn3)cc2C1=O ZINC000482362719 561253044 /nfs/dbraw/zinc/25/30/44/561253044.db2.gz GSBIYXJOVWQTGG-UHFFFAOYSA-N 1 0 364.405 2.178 20 30 FEEDRO N#CC1(NC(=O)c2ccnc3[nH]cnc32)CC[NH+](Cc2ccccc2)CC1 ZINC000482546376 561255816 /nfs/dbraw/zinc/25/58/16/561255816.db2.gz BJAJDZLINFQUSQ-UHFFFAOYSA-N 1 0 360.421 2.246 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)NC[C@@H]2COC3(CCCCCC3)O2)CC1 ZINC000180690429 547159154 /nfs/dbraw/zinc/15/91/54/547159154.db2.gz JFPHTAJTLYOBAR-QGZVFWFLSA-N 1 0 351.491 2.402 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)Cc2ccc(S(=O)(=O)C(C)C)cc2)CC1 ZINC000180722645 547167157 /nfs/dbraw/zinc/16/71/57/547167157.db2.gz WYMUROSMDFPWNL-UHFFFAOYSA-N 1 0 364.511 2.178 20 30 FEEDRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2cc(C#N)ccc2OC)cc1 ZINC000181023659 547232502 /nfs/dbraw/zinc/23/25/02/547232502.db2.gz AJXDNGIMIKYGJS-ZDUSSCGKSA-N 1 0 359.451 2.326 20 30 FEEDRO CCC(CC)[C@H](CNC(=O)C(=O)Nc1ccccc1O[C@H](C)C#N)[NH+](C)C ZINC000181822547 547387012 /nfs/dbraw/zinc/38/70/12/547387012.db2.gz CFIDYLHPNSLOJQ-PBHICJAKSA-N 1 0 374.485 2.399 20 30 FEEDRO CCCC[NH+]1CCC(NC(=O)C(=O)Nc2ccccc2O[C@H](C)C#N)CC1 ZINC000181867456 547394740 /nfs/dbraw/zinc/39/47/40/547394740.db2.gz YSMSPZCPTQZDMG-OAHLLOKOSA-N 1 0 372.469 2.297 20 30 FEEDRO C[C@H](C[NH+]1CCCCCC1)NC(=O)N1CCN(c2cc(C#N)ccn2)CC1 ZINC000483634279 561280938 /nfs/dbraw/zinc/28/09/38/561280938.db2.gz HESUWQXUUFFIAT-QGZVFWFLSA-N 1 0 370.501 2.049 20 30 FEEDRO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1CCCCC(=O)OC(C)(C)C ZINC000181995779 547419841 /nfs/dbraw/zinc/41/98/41/547419841.db2.gz OIIHCNGGLNWLIT-HNNXBMFYSA-N 1 0 359.474 2.371 20 30 FEEDRO C[C@H]([NH2+]C[C@H](O)CS(=O)(=O)c1cccs1)c1cccc(C#N)c1 ZINC000182062088 547429984 /nfs/dbraw/zinc/42/99/84/547429984.db2.gz XUAVSVPUSXWGJY-WFASDCNBSA-N 1 0 350.465 2.105 20 30 FEEDRO CN(C(=O)c1ccc(NC(=O)c2c[nH]c(C#N)c2)cc1)[C@H]1CCC[N@H+](C)C1 ZINC000182162200 547446194 /nfs/dbraw/zinc/44/61/94/547446194.db2.gz WYHABFHLYRHLDG-SFHVURJKSA-N 1 0 365.437 2.305 20 30 FEEDRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)NC[C@H](C)C#N)CC1 ZINC000182630890 547524605 /nfs/dbraw/zinc/52/46/05/547524605.db2.gz YYMZOESKWSCVRB-CABCVRRESA-N 1 0 361.465 2.487 20 30 FEEDRO C[N@H+](CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)C1CCCC1 ZINC000182668922 547530140 /nfs/dbraw/zinc/53/01/40/547530140.db2.gz VGZGDXYTNNMCEJ-IBGZPJMESA-N 1 0 358.461 2.409 20 30 FEEDRO N#Cc1ccc(N2CCC[C@H]([N@@H+]3CCC[C@H](C4OCCO4)C3)C2=O)cc1 ZINC000182742717 547545339 /nfs/dbraw/zinc/54/53/39/547545339.db2.gz USZUPTUWCNGAQH-WMZOPIPTSA-N 1 0 355.438 2.139 20 30 FEEDRO N#Cc1ccc(N2CCC[C@H]([N@@H+]3CCC[C@H](Cn4ccnn4)C3)C2=O)cc1 ZINC000182925314 547573362 /nfs/dbraw/zinc/57/33/62/547573362.db2.gz XIRKPYFFIJUZCK-HKUYNNGSSA-N 1 0 364.453 2.057 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@@H]1CCOC[C@@H]1OCC ZINC000484637705 561301889 /nfs/dbraw/zinc/30/18/89/561301889.db2.gz HLCMEAYGDVXETF-UAGQMJEPSA-N 1 0 352.500 2.435 20 30 FEEDRO CCO[C@@H]1COCC[C@@H]1[NH2+][C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000484653598 561302451 /nfs/dbraw/zinc/30/24/51/561302451.db2.gz QHFDNLMINSRNKQ-XFBWCDHKSA-N 1 0 351.834 2.322 20 30 FEEDRO C[C@@H](C#N)Oc1ccccc1NC(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000184327618 547808288 /nfs/dbraw/zinc/80/82/88/547808288.db2.gz BECPGENIXUGQCS-HNNXBMFYSA-N 1 0 360.458 2.288 20 30 FEEDRO CN(CC[N@H+](C)C1CC1)S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000185239021 547957325 /nfs/dbraw/zinc/95/73/25/547957325.db2.gz QEFZWHWGCDJFPU-UHFFFAOYSA-N 1 0 361.389 2.292 20 30 FEEDRO CC(C)C[C@@H](CO)[N@H+](C)CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000185350220 547974265 /nfs/dbraw/zinc/97/42/65/547974265.db2.gz DTGSICFSFGNVFC-KRWDZBQOSA-N 1 0 355.442 2.021 20 30 FEEDRO CCC[C@H]1CCCC[N@@H+]1CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 ZINC000185879747 548050037 /nfs/dbraw/zinc/05/00/37/548050037.db2.gz TZGAIXLNZWBTER-INIZCTEOSA-N 1 0 359.474 2.158 20 30 FEEDRO CCC[C@@H]1CCCC[N@@H+]1CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 ZINC000185879730 548050650 /nfs/dbraw/zinc/05/06/50/548050650.db2.gz TZGAIXLNZWBTER-MRXNPFEDSA-N 1 0 359.474 2.158 20 30 FEEDRO C=CCNC(=O)Nc1ccc(NC(=O)c2cc([C@@H]3CC[NH2+]C3)[nH]n2)cc1 ZINC000485781072 561327930 /nfs/dbraw/zinc/32/79/30/561327930.db2.gz HFUXQKZGEAAWBW-GFCCVEGCSA-N 1 0 354.414 2.046 20 30 FEEDRO C=CCSCCNC(=O)N(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000186631733 548162046 /nfs/dbraw/zinc/16/20/46/548162046.db2.gz CPNRAZNAZWVTRN-LJQANCHMSA-N 1 0 363.527 2.184 20 30 FEEDRO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCSC2(CCOCC2)C1 ZINC000186818756 548200542 /nfs/dbraw/zinc/20/05/42/548200542.db2.gz AOWZYBDFBOZDFU-OAHLLOKOSA-N 1 0 351.516 2.316 20 30 FEEDRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)CSCc1ccc(C#N)cc1 ZINC000186892726 548214124 /nfs/dbraw/zinc/21/41/24/548214124.db2.gz BFVQRVKETVVGDG-HNNXBMFYSA-N 1 0 361.511 2.095 20 30 FEEDRO CC(C)(CC[NH+]1CCCCCC1)NS(=O)(=O)c1ccc(C#N)nc1 ZINC000186909151 548216447 /nfs/dbraw/zinc/21/64/47/548216447.db2.gz ICKPFCOENLPOBB-UHFFFAOYSA-N 1 0 350.488 2.276 20 30 FEEDRO C=CCOc1ccccc1CNC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C ZINC000188703766 548285779 /nfs/dbraw/zinc/28/57/79/548285779.db2.gz AOYDOEFNECUWEL-INIZCTEOSA-N 1 0 361.486 2.238 20 30 FEEDRO Cc1ccnc(-n2nccc2NC(=O)N(CCC#N)CCC[NH+](C)C)c1 ZINC000189836609 548312977 /nfs/dbraw/zinc/31/29/77/548312977.db2.gz XEZDFSWOSDNFKK-UHFFFAOYSA-N 1 0 355.446 2.275 20 30 FEEDRO Cc1ncsc1C[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc(C#N)cn2)C1 ZINC000190563174 548328852 /nfs/dbraw/zinc/32/88/52/548328852.db2.gz NNHFAZOZSCWYMJ-HNNXBMFYSA-N 1 0 355.467 2.312 20 30 FEEDRO N#CCCN(CCC#N)C(=O)C[NH2+][C@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000192038800 548356162 /nfs/dbraw/zinc/35/61/62/548356162.db2.gz KVBQMEYYSWWMFC-WMZOPIPTSA-N 1 0 360.845 2.416 20 30 FEEDRO N#CCCN(CCC#N)C(=O)C[NH2+][C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000192128843 548359140 /nfs/dbraw/zinc/35/91/40/548359140.db2.gz VNMBTJHNDZVDJF-SJLPKXTDSA-N 1 0 362.380 2.040 20 30 FEEDRO C=CCN(C)C(=O)C(=O)Nc1cc(C)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000192163480 548360278 /nfs/dbraw/zinc/36/02/78/548360278.db2.gz GERBJPZPCORIJN-UHFFFAOYSA-N 1 0 358.486 2.108 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N2CCC(O)(c3ccccc3Cl)CC2)CC1 ZINC000192572439 548367545 /nfs/dbraw/zinc/36/75/45/548367545.db2.gz OVHHVVLKRLPMLD-UHFFFAOYSA-N 1 0 360.885 2.495 20 30 FEEDRO CN1CC[NH+](CC2CCN(C(=O)Nc3ccc(CC#N)cc3)CC2)CC1 ZINC000194541755 548496425 /nfs/dbraw/zinc/49/64/25/548496425.db2.gz BMWXMDUEDJJRHZ-UHFFFAOYSA-N 1 0 355.486 2.244 20 30 FEEDRO CCOC(=O)N1CCC(NC(=[NH2+])NCc2ccc3ncccc3c2)CC1 ZINC000195293295 548614650 /nfs/dbraw/zinc/61/46/50/548614650.db2.gz WBZRPZAADVSSII-UHFFFAOYSA-N 1 0 355.442 2.260 20 30 FEEDRO Cc1nc(C(=O)N(C)C2CC[NH+](CCc3ccccn3)CC2)ccc1C#N ZINC000195399931 548634143 /nfs/dbraw/zinc/63/41/43/548634143.db2.gz BUNPOBUULKHOOV-UHFFFAOYSA-N 1 0 363.465 2.436 20 30 FEEDRO COc1ccc(C[NH2+][C@H]2CCc3nc(C)nn3C2)cc1OCCCC#N ZINC000237375499 548822181 /nfs/dbraw/zinc/82/21/81/548822181.db2.gz IEQWUDMNNPKWEL-INIZCTEOSA-N 1 0 355.442 2.382 20 30 FEEDRO C[N@H+](CCC(=O)Nc1ccccc1C#N)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000245435894 548918627 /nfs/dbraw/zinc/91/86/27/548918627.db2.gz QROYNVYTOCAAFN-IAGOWNOFSA-N 1 0 363.483 2.174 20 30 FEEDRO C[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccc(F)c(C#N)c2)[C@H]1c1ccccc1 ZINC000245624426 548960653 /nfs/dbraw/zinc/96/06/53/548960653.db2.gz GBOYOCNYLHFLBM-QZTJIDSGSA-N 1 0 366.396 2.197 20 30 FEEDRO CC[C@@H]1Oc2cc([C@@H](C)[NH2+]CC(=O)N(CC)C[C@H](C)C#N)ccc2NC1=O ZINC000245839373 549001970 /nfs/dbraw/zinc/00/19/70/549001970.db2.gz CBOASRSRQCWMHK-CPUCHLNUSA-N 1 0 372.469 2.455 20 30 FEEDRO C=CCCC[C@H](C)NC(=O)C(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000488209896 561386142 /nfs/dbraw/zinc/38/61/42/561386142.db2.gz OJFBSZBJYWGDQT-AOIWGVFYSA-N 1 0 357.498 2.484 20 30 FEEDRO CN1CC[N@H+](CCCNC(=O)NCCCCC#N)[C@@H](c2ccccc2)C1 ZINC000246197586 549074996 /nfs/dbraw/zinc/07/49/96/549074996.db2.gz XHBSHPIUZJVCGA-LJQANCHMSA-N 1 0 357.502 2.358 20 30 FEEDRO CCc1nc(CN(C(C)=O)[C@H]2CC[N@H+](Cc3ccc(C#N)c(C)c3)C2)no1 ZINC000488437533 561389974 /nfs/dbraw/zinc/38/99/74/561389974.db2.gz DYXHJHTYCYNSIK-SFHVURJKSA-N 1 0 367.453 2.435 20 30 FEEDRO CC(C)[C@@H]1CN(C(=O)C(=O)Nc2ccccc2SCCC#N)CCN1C ZINC000488593641 561392423 /nfs/dbraw/zinc/39/24/23/561392423.db2.gz GNJRMYLOJLDMLK-INIZCTEOSA-N 1 0 374.510 2.429 20 30 FEEDRO N#Cc1ccc(OC[C@H](O)C[N@@H+](CCO)[C@H]2CCc3ccccc32)cc1 ZINC000246363450 549114977 /nfs/dbraw/zinc/11/49/77/549114977.db2.gz LBLTZYWNBLPHMY-NQIIRXRSSA-N 1 0 352.434 2.280 20 30 FEEDRO C=CCn1cccc1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000488824686 561397791 /nfs/dbraw/zinc/39/77/91/561397791.db2.gz ZKRVRUBFWVDDKQ-RBUKOAKNSA-N 1 0 353.466 2.287 20 30 FEEDRO C=CCNC(=O)C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000248398006 549428311 /nfs/dbraw/zinc/42/83/11/549428311.db2.gz MLTMDDVBNSUBFV-ARFHVFGLSA-N 1 0 351.491 2.446 20 30 FEEDRO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3C[C@H](C)[C@@H]4CCCC[C@H]43)CC2)o1 ZINC000248449497 549439780 /nfs/dbraw/zinc/43/97/80/549439780.db2.gz XREVEUCDHSULFN-QILLFSRXSA-N 1 0 371.485 2.014 20 30 FEEDRO CC(C)OC(=O)C[C@@H]1CCC[N@H+](C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000248633973 549472449 /nfs/dbraw/zinc/47/24/49/549472449.db2.gz SLVIATURDDFWHL-ZWKOTPCHSA-N 1 0 360.454 2.352 20 30 FEEDRO CC(C)OC(=O)C[C@H]1CCC[N@H+](C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000248633967 549472573 /nfs/dbraw/zinc/47/25/73/549472573.db2.gz SLVIATURDDFWHL-QZTJIDSGSA-N 1 0 360.454 2.352 20 30 FEEDRO CCS[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)N1CCN([C@H](C#N)C(C)C)CC1 ZINC000248938411 549529918 /nfs/dbraw/zinc/52/99/18/549529918.db2.gz CGHZJYRNWSZNAE-RCCFBDPRSA-N 1 0 366.575 2.333 20 30 FEEDRO CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000249097892 549550363 /nfs/dbraw/zinc/55/03/63/549550363.db2.gz UGXIEDLVFOHMRA-NJAFHUGGSA-N 1 0 351.397 2.439 20 30 FEEDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NS(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000489636319 561416093 /nfs/dbraw/zinc/41/60/93/561416093.db2.gz RTHJEUXEYPSOMJ-LIRRHRJNSA-N 1 0 373.453 2.496 20 30 FEEDRO C[C@H](O)C[N@@H+]1CCN(CC#Cc2ccc(OC(F)(F)F)cc2)[C@@H](C)C1 ZINC000249259430 549573532 /nfs/dbraw/zinc/57/35/32/549573532.db2.gz GUDHYZXJZMXRBQ-GJZGRUSLSA-N 1 0 356.388 2.324 20 30 FEEDRO C=CCSc1ccccc1NC(=O)CN1CC[N@@H+](C[C@H](C)O)C[C@H]1C ZINC000249517368 549599440 /nfs/dbraw/zinc/59/94/40/549599440.db2.gz RZKDRKCHTKICQT-CVEARBPZSA-N 1 0 363.527 2.290 20 30 FEEDRO CN(C[C@@H](O)c1ccc(C#N)cc1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000249563136 549605651 /nfs/dbraw/zinc/60/56/51/549605651.db2.gz MFVQDTXUNCIRBN-YADHBBJMSA-N 1 0 365.477 2.160 20 30 FEEDRO C/[NH+]=C(/NCc1cn2ccsc2n1)N1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000261733845 549748829 /nfs/dbraw/zinc/74/88/29/549748829.db2.gz LVROCHUAVSCOGB-LBPRGKRZSA-N 1 0 363.487 2.135 20 30 FEEDRO C[NH+]=C(NCC(=O)N1CCCc2ccccc21)N(C)CCC1CCOCC1 ZINC000261749641 549751650 /nfs/dbraw/zinc/75/16/50/549751650.db2.gz LRCHQBPPFXFFCM-UHFFFAOYSA-N 1 0 372.513 2.290 20 30 FEEDRO Cc1nnc(CNC(=[NH+]C2CC2)N2CC[C@H](Cc3ccc(F)cc3)C2)n1C ZINC000261951540 549773482 /nfs/dbraw/zinc/77/34/82/549773482.db2.gz HNMUYUCLPGLHKO-MRXNPFEDSA-N 1 0 370.476 2.435 20 30 FEEDRO C[NH+]=C(NCc1ncccc1C)N[C@H]1CCN(c2ccccc2OC)C1 ZINC000261969849 549775576 /nfs/dbraw/zinc/77/55/76/549775576.db2.gz MMXYKSZEJLAFCL-INIZCTEOSA-N 1 0 353.470 2.343 20 30 FEEDRO C[NH+]=C(NCc1ccc(OC)c(O)c1)N1CC[C@H](Oc2ccccn2)C1 ZINC000262007661 549779793 /nfs/dbraw/zinc/77/97/93/549779793.db2.gz VZXIFQMXHUVFPV-HNNXBMFYSA-N 1 0 356.426 2.025 20 30 FEEDRO C=CCN(CCc1ccco1)C(=O)[C@H]1CC(=O)N(C[C@@H]2CCC[N@H+]2CC)C1 ZINC000490245537 561429509 /nfs/dbraw/zinc/42/95/09/561429509.db2.gz LPJGFJGDGHAMSU-ROUUACIJSA-N 1 0 373.497 2.170 20 30 FEEDRO C[NH+]=C(NCc1cccnc1-n1ccnc1)N[C@H]1CCc2ccccc2C1 ZINC000262229362 549800702 /nfs/dbraw/zinc/80/07/02/549800702.db2.gz MXRDTLCNGMRYHT-IBGZPJMESA-N 1 0 360.465 2.490 20 30 FEEDRO C=CCNC(=[NH+]C[C@@H]1CCS(=O)(=O)C1)N1CC[C@H](c2ccccc2)C1 ZINC000262382729 549815397 /nfs/dbraw/zinc/81/53/97/549815397.db2.gz KSLRATGLLUHKSD-WMZOPIPTSA-N 1 0 361.511 2.042 20 30 FEEDRO Cc1cccc(C(=O)NCCNC(=[NH2+])N[C@@H]2CCOc3ccccc32)c1 ZINC000262509012 549825346 /nfs/dbraw/zinc/82/53/46/549825346.db2.gz LTBWIZGBLRNATR-QGZVFWFLSA-N 1 0 352.438 2.153 20 30 FEEDRO C[NH+]=C(NCCc1c[nH]c2ccc(Cl)cc12)N[C@@H]1CCC(=O)N(C)C1 ZINC000262754771 549845898 /nfs/dbraw/zinc/84/58/98/549845898.db2.gz AWJJRUAZMYVIIB-CQSZACIVSA-N 1 0 361.877 2.150 20 30 FEEDRO CC[NH+]=C(NC[C@@H]1CCc2nnc(C)n2C1)N[C@@H]1CCOc2ccccc21 ZINC000262805195 549851772 /nfs/dbraw/zinc/85/17/72/549851772.db2.gz SAICQBTWQNSODA-DOTOQJQBSA-N 1 0 368.485 2.228 20 30 FEEDRO C[NH+]=C(NCc1ccc(N2CCO[C@H](C)C2)nc1)N1CCc2ccccc21 ZINC000263254793 549889569 /nfs/dbraw/zinc/88/95/69/549889569.db2.gz QFYYGPQNRDDIQY-MRXNPFEDSA-N 1 0 365.481 2.445 20 30 FEEDRO C[C@@H](NC(=O)N(C)C[C@H](C)C#N)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000263647842 549912315 /nfs/dbraw/zinc/91/23/15/549912315.db2.gz CDLSQNNRDYMTMV-HUUCEWRRSA-N 1 0 361.465 2.440 20 30 FEEDRO CC[N@H+](C)[C@@H](C(=O)N1CCN(c2cc(C#N)ccn2)CC1)c1ccccc1 ZINC000264049205 549972681 /nfs/dbraw/zinc/97/26/81/549972681.db2.gz SIWVLEQRWBZUPB-HXUWFJFHSA-N 1 0 363.465 2.295 20 30 FEEDRO COc1ccc(CCNC(=[NH2+])NCc2ccc(N3CCCC3)nc2)cc1 ZINC000264073969 549975586 /nfs/dbraw/zinc/97/55/86/549975586.db2.gz GTULRIQDWGMCOZ-UHFFFAOYSA-N 1 0 353.470 2.337 20 30 FEEDRO COc1ccccc1CNC(=[NH2+])NCc1ccc(N2CCOCC2)cc1 ZINC000264133398 549983420 /nfs/dbraw/zinc/98/34/20/549983420.db2.gz YTTLTHYENPYSAE-UHFFFAOYSA-N 1 0 354.454 2.136 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)NCC1CCN(C(C)=O)CC1)C(C)C ZINC000264222112 549993368 /nfs/dbraw/zinc/99/33/68/549993368.db2.gz CGXKSEHGZWDCJS-IBGZPJMESA-N 1 0 364.534 2.243 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCN(c3nc(C)cs3)CC2)CC1 ZINC000264321442 549994666 /nfs/dbraw/zinc/99/46/66/549994666.db2.gz BHWRJFRUUBXYOO-UHFFFAOYSA-N 1 0 363.531 2.324 20 30 FEEDRO N#CCCSc1ccccc1NC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000264790753 550001536 /nfs/dbraw/zinc/00/15/36/550001536.db2.gz VZXDLOBJWIQVPK-ZBFHGGJFSA-N 1 0 372.494 2.374 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)NCc2ccnc(OC3CCOCC3)c2)CC1 ZINC000264977883 550004030 /nfs/dbraw/zinc/00/40/30/550004030.db2.gz FAPFMQMYZVGOPS-UHFFFAOYSA-N 1 0 374.485 2.089 20 30 FEEDRO CC(C)C[N@@H+](CC(=O)N(CCC#N)CCC#N)C[C@H](O)c1ccc(F)cc1 ZINC000265452375 550009818 /nfs/dbraw/zinc/00/98/18/550009818.db2.gz UJMLNDHOQGXALN-IBGZPJMESA-N 1 0 374.460 2.473 20 30 FEEDRO COCC[N@@H+]1CC[C@H](NC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC000265696693 550013305 /nfs/dbraw/zinc/01/33/05/550013305.db2.gz HBPXBGUVQJIJPY-INIZCTEOSA-N 1 0 369.387 2.077 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cc(OC)c(OC)c([N+](=O)[O-])c2)CC1 ZINC000265920957 550015497 /nfs/dbraw/zinc/01/54/97/550015497.db2.gz BUOPUNRMEGCBSM-UHFFFAOYSA-N 1 0 363.414 2.382 20 30 FEEDRO COc1cc(CNC(=O)N2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@H](C)C2)ccc1C#N ZINC000491124762 561443205 /nfs/dbraw/zinc/44/32/05/561443205.db2.gz WBTMEYBHUAWJOC-RLFYNMQTSA-N 1 0 356.470 2.439 20 30 FEEDRO O=C(NCC#Cc1ccccc1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000266715365 550023394 /nfs/dbraw/zinc/02/33/94/550023394.db2.gz ZXFGDLANDWVSKD-UHFFFAOYSA-N 1 0 355.482 2.325 20 30 FEEDRO CCOC(=O)N1CCC(NC(=[NH2+])NC[C@@H](C)Oc2cccc(F)c2)CC1 ZINC000267405232 550030868 /nfs/dbraw/zinc/03/08/68/550030868.db2.gz GVSSBBHOVAUJTP-CYBMUJFWSA-N 1 0 366.437 2.118 20 30 FEEDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2S(=O)(=O)c2ccc(C#N)c(Cl)c2)C1 ZINC000269103175 550154731 /nfs/dbraw/zinc/15/47/31/550154731.db2.gz AKVBBIBNBCDSBW-CZUORRHYSA-N 1 0 353.875 2.316 20 30 FEEDRO COc1ccc(C#N)cc1NC(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000269100059 550155069 /nfs/dbraw/zinc/15/50/69/550155069.db2.gz FUFNXXLTFHZQCM-ZWKOTPCHSA-N 1 0 372.469 2.456 20 30 FEEDRO N#CCOc1cccc(NC(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)c1 ZINC000269196141 550166567 /nfs/dbraw/zinc/16/65/67/550166567.db2.gz NFLKCHHYGSBSMH-RTBURBONSA-N 1 0 372.469 2.478 20 30 FEEDRO CN(Cc1cc(C#N)ccc1Br)C1CC[NH+](CCO)CC1 ZINC000492775114 561452598 /nfs/dbraw/zinc/45/25/98/561452598.db2.gz RPAYDNIDKNQOSA-UHFFFAOYSA-N 1 0 352.276 2.209 20 30 FEEDRO CC(C)Oc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1C#N ZINC000269411856 550192269 /nfs/dbraw/zinc/19/22/69/550192269.db2.gz ZWTAXRIZPDVACL-IAGOWNOFSA-N 1 0 370.453 2.027 20 30 FEEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH2+][C@@H]1CCC[C@@]1(C)CO ZINC000493444541 561456141 /nfs/dbraw/zinc/45/61/41/561456141.db2.gz WDDWOIMDTKGDLV-CVAIRZPRSA-N 1 0 359.470 2.471 20 30 FEEDRO C#CC[C@@H](NC(=O)NCCCC[NH+]1CCN(CC)CC1)c1ccccc1 ZINC000270437927 550272449 /nfs/dbraw/zinc/27/24/49/550272449.db2.gz QGKIJFODKOJNGA-HXUWFJFHSA-N 1 0 356.514 2.468 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CC[C@H](N2CCCC2=O)C1 ZINC000270899100 550318428 /nfs/dbraw/zinc/31/84/28/550318428.db2.gz MHLACTULTYEPOU-CVEARBPZSA-N 1 0 361.511 2.348 20 30 FEEDRO C[C@H]([NH2+]CC(=O)NCCOc1ccc2c(c1)OCO2)c1ccc(C#N)cc1 ZINC000271631290 550391157 /nfs/dbraw/zinc/39/11/57/550391157.db2.gz FMPHWYXBHKRLHD-AWEZNQCLSA-N 1 0 367.405 2.133 20 30 FEEDRO COc1cc([C@@H](C)[NH2+]CC(=O)N[C@](C)(C#N)C(C)C)cc(OC)c1OC ZINC000271770776 550400435 /nfs/dbraw/zinc/40/04/35/550400435.db2.gz NSFDWKBCLUMPPH-BFUOFWGJSA-N 1 0 363.458 2.417 20 30 FEEDRO N#CCCN(CCC#N)C(=O)C[NH2+][C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC000271770607 550400727 /nfs/dbraw/zinc/40/07/27/550400727.db2.gz ITCCYLHVPKFFLE-MJGOQNOKSA-N 1 0 354.454 2.400 20 30 FEEDRO C#CCC[NH+]1CCN(C[C@H](O)COc2cccc(C(F)(F)F)c2)CC1 ZINC000271950558 550412783 /nfs/dbraw/zinc/41/27/83/550412783.db2.gz AUWGMCLTZLHGAA-INIZCTEOSA-N 1 0 356.388 2.086 20 30 FEEDRO COc1cc(/C=C/C(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)ccc1OCC#N ZINC000272578294 550458862 /nfs/dbraw/zinc/45/88/62/550458862.db2.gz WAHMMYQRICCEHN-UPXOEVQQSA-N 1 0 355.438 2.163 20 30 FEEDRO COCCn1cc(C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)cn1 ZINC000272904830 550476266 /nfs/dbraw/zinc/47/62/66/550476266.db2.gz MVAZCCOMIXIEDQ-UHFFFAOYSA-N 1 0 350.426 2.091 20 30 FEEDRO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@H](CO)c1ccc(Br)cc1 ZINC000273097521 550484903 /nfs/dbraw/zinc/48/49/03/550484903.db2.gz LFHOHCVEXYQULE-IUODEOHRSA-N 1 0 368.275 2.080 20 30 FEEDRO C#CCN(C(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1)C1CC1 ZINC000274172306 550526540 /nfs/dbraw/zinc/52/65/40/550526540.db2.gz WSTBJUWNCLULBC-UHFFFAOYSA-N 1 0 358.461 2.275 20 30 FEEDRO CS[C@H]1CN(C(=O)c2c(F)cc(C#N)cc2F)C[C@H]1[NH+]1CCCC1 ZINC000274190945 550527349 /nfs/dbraw/zinc/52/73/49/550527349.db2.gz LOXTVXHZLSYCMP-CABCVRRESA-N 1 0 351.422 2.488 20 30 FEEDRO CC(C)[NH+]1CCN(C2CCN(c3cc(C#N)ccc3[N+](=O)[O-])CC2)CC1 ZINC000274292571 550531645 /nfs/dbraw/zinc/53/16/45/550531645.db2.gz ZLNVQWNAOIBROS-UHFFFAOYSA-N 1 0 357.458 2.461 20 30 FEEDRO CN1CCN(c2cc(N[C@@H](CCC#N)c3ccccc3)ncn2)CC1=O ZINC000274887344 550562783 /nfs/dbraw/zinc/56/27/83/550562783.db2.gz ISIPVBDVSPOVMU-INIZCTEOSA-N 1 0 350.426 2.212 20 30 FEEDRO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+](C)Cc1ccc(OCC(=O)OC)cc1 ZINC000274889733 550563029 /nfs/dbraw/zinc/56/30/29/550563029.db2.gz PLANZEAVAJBCJS-INIZCTEOSA-N 1 0 360.454 2.259 20 30 FEEDRO C=C[C@@H]1CCCCN1C(=O)NCc1ccc(N2CC[NH+](CC)CC2)nc1 ZINC000494661693 561473667 /nfs/dbraw/zinc/47/36/67/561473667.db2.gz PICWWHXCLNNHNX-GOSISDBHSA-N 1 0 357.502 2.474 20 30 FEEDRO O=C(NCC#Cc1ccc(C(F)(F)F)cc1)NCC[N@@H+]1CCCOCC1 ZINC000275569033 550572868 /nfs/dbraw/zinc/57/28/68/550572868.db2.gz CARICAMWEKGPJZ-UHFFFAOYSA-N 1 0 369.387 2.078 20 30 FEEDRO C[C@@H](C#N)CN(C)C(=O)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000275721236 550574057 /nfs/dbraw/zinc/57/40/57/550574057.db2.gz SAIFWJDTZOTPNN-INIZCTEOSA-N 1 0 356.470 2.272 20 30 FEEDRO CSc1ccc(C)c(NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C)c1 ZINC000275755484 550574260 /nfs/dbraw/zinc/57/42/60/550574260.db2.gz BYRJLMOTVFYCDN-UHFFFAOYSA-N 1 0 362.499 2.349 20 30 FEEDRO CCOc1ccc(C#N)cc1NC(=O)C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000276725593 550589469 /nfs/dbraw/zinc/58/94/69/550589469.db2.gz CNTBBIDSOWXZNY-UHFFFAOYSA-N 1 0 372.469 2.134 20 30 FEEDRO CC(C)(CNC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1)C[NH+]1CCCC1 ZINC000276846440 550602700 /nfs/dbraw/zinc/60/27/00/550602700.db2.gz ZJPAASTZABXVJM-UHFFFAOYSA-N 1 0 362.861 2.388 20 30 FEEDRO [NH2+]=C(NC[C@H](CO)Cc1ccccc1Br)Nc1ccccn1 ZINC000277200617 550642786 /nfs/dbraw/zinc/64/27/86/550642786.db2.gz DQWSLGURTUBPCG-GFCCVEGCSA-N 1 0 363.259 2.422 20 30 FEEDRO CCOc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000277492968 550676911 /nfs/dbraw/zinc/67/69/11/550676911.db2.gz LRKGGAYDPNZEHO-INIZCTEOSA-N 1 0 370.453 2.029 20 30 FEEDRO CCOc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000277492972 550677117 /nfs/dbraw/zinc/67/71/17/550677117.db2.gz LRKGGAYDPNZEHO-MRXNPFEDSA-N 1 0 370.453 2.029 20 30 FEEDRO CCN(C[C@H](C)C#N)C(=O)C[N@H+](C[C@H](O)COc1ccccc1)C(C)C ZINC000277716364 550705466 /nfs/dbraw/zinc/70/54/66/550705466.db2.gz FQBWXVLFBCVGGO-MSOLQXFVSA-N 1 0 361.486 2.145 20 30 FEEDRO C#CC[NH+]1CCC(c2nc(-c3ccc(Cn4cncn4)c(F)c3)no2)CC1 ZINC000277867610 550723123 /nfs/dbraw/zinc/72/31/23/550723123.db2.gz KFNXZQJOQOASDS-UHFFFAOYSA-N 1 0 366.400 2.328 20 30 FEEDRO CN(C)C1(C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)CCOCC1 ZINC000278592939 550802086 /nfs/dbraw/zinc/80/20/86/550802086.db2.gz HCTFBKZTWAHRKB-UHFFFAOYSA-N 1 0 368.485 2.059 20 30 FEEDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1CCC(=O)Nc1ccc(C#N)cc1 ZINC000278600442 550803089 /nfs/dbraw/zinc/80/30/89/550803089.db2.gz IJJUKEXJMVRUNB-MRXNPFEDSA-N 1 0 356.470 2.072 20 30 FEEDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000278621742 550805205 /nfs/dbraw/zinc/80/52/05/550805205.db2.gz JZCMYMHLSJZPHZ-OAHLLOKOSA-N 1 0 367.453 2.293 20 30 FEEDRO C(=[NH+]/OCc1nnc2n1CCCCC2)\c1ccc(N2CCOCC2)cc1 ZINC000278831814 550826818 /nfs/dbraw/zinc/82/68/18/550826818.db2.gz YXVRKKYXKUZSPG-XSFVSMFZSA-N 1 0 355.442 2.392 20 30 FEEDRO Cc1nc(C#N)c(N2CCC(C(=O)NC[C@@H]3CC[N@@H+](CC(C)C)C3)CC2)o1 ZINC000278894542 550833452 /nfs/dbraw/zinc/83/34/52/550833452.db2.gz PCOUZRMCSBRLBY-INIZCTEOSA-N 1 0 373.501 2.165 20 30 FEEDRO C#CCn1ccc(CN(CC)C(=O)NC[C@H](c2ccsc2)[NH+](C)C)n1 ZINC000279285591 550873405 /nfs/dbraw/zinc/87/34/05/550873405.db2.gz UIXGEOVMZDFPBB-QGZVFWFLSA-N 1 0 359.499 2.412 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)NCc1ccc(C)n(C)c1=O)C(C)C ZINC000279594209 550906600 /nfs/dbraw/zinc/90/66/00/550906600.db2.gz VPOCEQDSYTTWLE-GOSISDBHSA-N 1 0 360.502 2.192 20 30 FEEDRO Cc1nc(C#N)c(N2CCC(C(=O)N3CCC[C@H]3C[NH+]3CCCC3)CC2)o1 ZINC000279681988 550916148 /nfs/dbraw/zinc/91/61/48/550916148.db2.gz JAXJTWSOMUIIIU-KRWDZBQOSA-N 1 0 371.485 2.158 20 30 FEEDRO C[C@H]1OCC[C@]12CN([C@@H]1CCCN(c3ccc(C#N)cc3)C1=O)C[C@@H](C)O2 ZINC000279782088 550928220 /nfs/dbraw/zinc/92/82/20/550928220.db2.gz NRXAYAHBWMJKJL-HQEOYTPBSA-N 1 0 369.465 2.322 20 30 FEEDRO N#Cc1cc(C(=O)NC2CC[NH+](CCOc3ccc(F)cc3)CC2)ccn1 ZINC000280277615 550976151 /nfs/dbraw/zinc/97/61/51/550976151.db2.gz WEUUXBQSDBMEOC-UHFFFAOYSA-N 1 0 368.412 2.366 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)CN1c2ccccc2OCC1=O)C(C)C ZINC000495917466 561491433 /nfs/dbraw/zinc/49/14/33/561491433.db2.gz MVMIFMPIBZLHRT-GOSISDBHSA-N 1 0 371.481 2.227 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000281212797 551074540 /nfs/dbraw/zinc/07/45/40/551074540.db2.gz DHPSDFTVNKAPHV-UXHICEINSA-N 1 0 357.498 2.145 20 30 FEEDRO C=CC[C@H](CC)NC(=O)C(=O)Nc1ccc(C)c(NC(=O)CC[NH+](C)C)c1 ZINC000281515020 551107796 /nfs/dbraw/zinc/10/77/96/551107796.db2.gz RVEJNLULNZEHPH-HNNXBMFYSA-N 1 0 374.485 2.295 20 30 FEEDRO COc1ccccc1N1CC[C@H]([NH2+]Cc2ccc(C#N)c(OC)c2)C1=O ZINC000281854072 551148674 /nfs/dbraw/zinc/14/86/74/551148674.db2.gz ZKRLPYKHHFOIIM-INIZCTEOSA-N 1 0 351.406 2.471 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N[C@@H](Cn2ccccc2=O)c2ccccc2)CC1 ZINC000282141035 551185766 /nfs/dbraw/zinc/18/57/66/551185766.db2.gz RYVKVFLTXAKNOE-FQEVSTJZSA-N 1 0 363.461 2.051 20 30 FEEDRO C=CCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC000282338324 551213744 /nfs/dbraw/zinc/21/37/44/551213744.db2.gz RKKZBWIGFDFSLF-SFHVURJKSA-N 1 0 371.533 2.494 20 30 FEEDRO COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@@H](C)N2CCOc2ccc(C#N)cc2OC)O1 ZINC000282398040 551223097 /nfs/dbraw/zinc/22/30/97/551223097.db2.gz HKJPBIFGVBVXRO-RGPZOAQRSA-N 1 0 374.437 2.129 20 30 FEEDRO C[C@@H](CC#N)N(C)S(=O)(=O)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000283037470 551301378 /nfs/dbraw/zinc/30/13/78/551301378.db2.gz QWVAJIQTYURMRV-DLBZAZTESA-N 1 0 364.515 2.062 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N[C@H](C)c1cccnc1)C(C)C ZINC000283226156 551332371 /nfs/dbraw/zinc/33/23/71/551332371.db2.gz VEDVUJNTLIXQQU-AEFFLSMTSA-N 1 0 358.486 2.074 20 30 FEEDRO C=CCn1c(-c2ccccn2)nnc1N1CC[NH+](CC2CCOCC2)CC1 ZINC000283611143 551396573 /nfs/dbraw/zinc/39/65/73/551396573.db2.gz VKOVKZREUWHYKJ-UHFFFAOYSA-N 1 0 368.485 2.075 20 30 FEEDRO CN1CC[C@H]([NH2+]CC(=O)N[C@](C)(C#N)C2CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000283650434 551403433 /nfs/dbraw/zinc/40/34/33/551403433.db2.gz BDRSFFSLBMTWDL-QXAKKESOSA-N 1 0 362.424 2.108 20 30 FEEDRO Cc1cc[n+](C(C(=O)c2cnn(C)n2)C(=S)NC2CCCCC2)cc1 ZINC000283872590 551441816 /nfs/dbraw/zinc/44/18/16/551441816.db2.gz CNZPEIOPHHYWQU-UHFFFAOYSA-O 1 0 358.491 2.272 20 30 FEEDRO C[N@@H+]1CCCC[C@@H]1CCC(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 ZINC000498017870 561513912 /nfs/dbraw/zinc/51/39/12/561513912.db2.gz JMISGONPVKWFDR-WOJBJXKFSA-N 1 0 354.498 2.487 20 30 FEEDRO C[C@H]1CCC[N@H+](CCCCNC(=O)C(=O)N(C)Cc2ccc(C#N)cc2)C1 ZINC000284644397 551597780 /nfs/dbraw/zinc/59/77/80/551597780.db2.gz MAMSIMODXGPFQC-KRWDZBQOSA-N 1 0 370.497 2.145 20 30 FEEDRO C=CC[C@H](CO)CNC(=O)N[C@H]1CC[N@H+](C2CC2)[C@H]1c1cccc(OC)c1 ZINC000498531162 561527221 /nfs/dbraw/zinc/52/72/21/561527221.db2.gz ZPGXDAKKACBOHA-YSSFQJQWSA-N 1 0 373.497 2.457 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N[C@H](C)c1ccccn1)C(C)C ZINC000284786181 551632810 /nfs/dbraw/zinc/63/28/10/551632810.db2.gz KCBZAGSKIISALV-AEFFLSMTSA-N 1 0 358.486 2.074 20 30 FEEDRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)N(C)Cc1ccc(C#N)cc1 ZINC000284804493 551638045 /nfs/dbraw/zinc/63/80/45/551638045.db2.gz WZIPABWTJXHTEL-KRWDZBQOSA-N 1 0 370.497 2.287 20 30 FEEDRO C[NH+]1CCC(Oc2ccc(CNC(=O)c3cc(C#N)ccn3)cc2)CC1 ZINC000285831873 551816806 /nfs/dbraw/zinc/81/68/06/551816806.db2.gz YTUPEXTVSTXHQS-UHFFFAOYSA-N 1 0 350.422 2.356 20 30 FEEDRO CC[C@@](C)(C#N)C(=O)N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000285861500 551820334 /nfs/dbraw/zinc/82/03/34/551820334.db2.gz DKRGZRRTXAZCPJ-NQIIRXRSSA-N 1 0 369.513 2.382 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N(CC)Cc2ccc(Cl)cc2)CC1 ZINC000286379434 551880989 /nfs/dbraw/zinc/88/09/89/551880989.db2.gz CUXXXTQIXNIWFA-UHFFFAOYSA-N 1 0 363.889 2.455 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)NCC(C)(C)c2ccc(C)cc2)CC1 ZINC000286456871 551887569 /nfs/dbraw/zinc/88/75/69/551887569.db2.gz NLNLAPKEXUIXGC-UHFFFAOYSA-N 1 0 357.498 2.155 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(Cc2cccc(F)c2)C2CC2)CC1 ZINC000286495079 551892688 /nfs/dbraw/zinc/89/26/88/551892688.db2.gz KCDLBTMROHEZLH-UHFFFAOYSA-N 1 0 373.472 2.473 20 30 FEEDRO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)C(=O)NCCCCC#N)CC1 ZINC000286665454 551912172 /nfs/dbraw/zinc/91/21/72/551912172.db2.gz HPOMTIMBXMMODP-UHFFFAOYSA-N 1 0 370.497 2.167 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(F)cc1F)S(=O)(=O)c1ccc(C#N)o1 ZINC000286754988 551922481 /nfs/dbraw/zinc/92/24/81/551922481.db2.gz DLQLIYKWLSYYFX-UHFFFAOYSA-N 1 0 369.393 2.182 20 30 FEEDRO C#CC[C@H](Cc1ccccc1)NC(=O)NC[C@@H](C)C[NH+]1CCN(CC)CC1 ZINC000286887891 551936860 /nfs/dbraw/zinc/93/68/60/551936860.db2.gz DSBZEXFLQYWEHH-TZIWHRDSSA-N 1 0 370.541 2.194 20 30 FEEDRO N#Cc1ccc(-c2nnc(C[N@H+]3CC[C@H](C(=O)N4CCCC4)C3)o2)cc1 ZINC000287597880 552023510 /nfs/dbraw/zinc/02/35/10/552023510.db2.gz YPSSMEZHAKRXNW-INIZCTEOSA-N 1 0 351.410 2.053 20 30 FEEDRO C[C@H]1[C@H](NC(=O)C(=O)Nc2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000287721848 552038289 /nfs/dbraw/zinc/03/82/89/552038289.db2.gz ACJYSCQHHUSOEG-HNAYVOBHSA-N 1 0 362.433 2.276 20 30 FEEDRO N#Cc1ccc(CN2CC[C@H]([NH2+][C@@H]3CCO[C@@H](C(F)(F)F)C3)C2=O)cc1 ZINC000287895115 552060255 /nfs/dbraw/zinc/06/02/55/552060255.db2.gz ZGGWJJLHWSUQRZ-OWCLPIDISA-N 1 0 367.371 2.359 20 30 FEEDRO C#CC[C@@H](Cc1ccccc1)NC(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000288233298 552115863 /nfs/dbraw/zinc/11/58/63/552115863.db2.gz RRXVNXXFWNGYSY-MJGOQNOKSA-N 1 0 357.498 2.108 20 30 FEEDRO C=CCOc1ccc(CNC(=O)NCC2(O)CC[NH+](C(C)C)CC2)cc1 ZINC000288534423 552170470 /nfs/dbraw/zinc/17/04/70/552170470.db2.gz UENSSZWXHCAYBT-UHFFFAOYSA-N 1 0 361.486 2.286 20 30 FEEDRO C[NH+](C)CCCOc1cnccc1CNC(=O)Cc1ccc(C#N)cc1 ZINC000288648292 552191769 /nfs/dbraw/zinc/19/17/69/552191769.db2.gz DQUNNVYUOQWPRN-UHFFFAOYSA-N 1 0 352.438 2.143 20 30 FEEDRO [NH2+]=C(NC[C@H](O)C[N@@H+]1CCc2ccccc2C1)Nc1cc(F)ccc1F ZINC000288666472 552194836 /nfs/dbraw/zinc/19/48/36/552194836.db2.gz HCPNVFPJFGYYCL-INIZCTEOSA-N 1 0 360.408 2.111 20 30 FEEDRO C=CCN1CC[C@@H]([N@H+](C)C[C@H](O)COc2c(Cl)cccc2Cl)C1=O ZINC000499989557 561563673 /nfs/dbraw/zinc/56/36/73/561563673.db2.gz TZLAXEAMRPKJFN-SWLSCSKDSA-N 1 0 373.280 2.452 20 30 FEEDRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N(C)Cc2ccc(C#N)cc2)C1 ZINC000288894925 552232096 /nfs/dbraw/zinc/23/20/96/552232096.db2.gz UDRSHYOBIIROJO-IBGZPJMESA-N 1 0 370.497 2.001 20 30 FEEDRO C=CCN(CC=C)C(=O)C(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000289189388 552279685 /nfs/dbraw/zinc/27/96/85/552279685.db2.gz QDTKDXQAPXAZTF-PKOBYXMFSA-N 1 0 355.482 2.214 20 30 FEEDRO CC(C)[NH+](CCCNC(=O)C(=O)N(C)Cc1cccc(C#N)c1)C(C)C ZINC000289252170 552289211 /nfs/dbraw/zinc/28/92/11/552289211.db2.gz FVBVJLABMWAVKO-UHFFFAOYSA-N 1 0 358.486 2.142 20 30 FEEDRO C=CCn1c(-c2ccc(C)o2)nnc1N1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000289662498 552358379 /nfs/dbraw/zinc/35/83/79/552358379.db2.gz MJCJLYASKDLDBA-QGZVFWFLSA-N 1 0 370.501 2.249 20 30 FEEDRO CN1CCC([NH+]2CCC(NC(=O)Nc3ccc(C#N)c(F)c3)CC2)CC1 ZINC000290009897 552413512 /nfs/dbraw/zinc/41/35/12/552413512.db2.gz ZTYRJLFWENAUFH-UHFFFAOYSA-N 1 0 359.449 2.377 20 30 FEEDRO CC[NH+](CC)[C@H](CNC(=O)C(=O)Nc1ccc(C#N)c(F)c1)c1ccco1 ZINC000290238750 552447035 /nfs/dbraw/zinc/44/70/35/552447035.db2.gz LTUNQOTXKYRWTL-MRXNPFEDSA-N 1 0 372.400 2.428 20 30 FEEDRO N#Cc1ccc(NC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)cc1F ZINC000290839170 552547033 /nfs/dbraw/zinc/54/70/33/552547033.db2.gz QBIUIDJPSYPIHZ-INIZCTEOSA-N 1 0 358.417 2.113 20 30 FEEDRO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[NH2+][C@H](C)Cn1cccn1 ZINC000501236642 561592973 /nfs/dbraw/zinc/59/29/73/561592973.db2.gz SRSAMNXVHSBDMV-HZPDHXFCSA-N 1 0 355.442 2.205 20 30 FEEDRO N#Cc1ccc(N2CC[C@@H]([N@@H+]3CC[C@](CO)(c4ccccc4)C3)C2=O)cc1 ZINC000291898661 552672946 /nfs/dbraw/zinc/67/29/46/552672946.db2.gz RBAYAXLORPXEKN-IRLDBZIGSA-N 1 0 361.445 2.300 20 30 FEEDRO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292074044 552690949 /nfs/dbraw/zinc/69/09/49/552690949.db2.gz DZGWVRHLKYBTAB-JXFKEZNVSA-N 1 0 358.461 2.488 20 30 FEEDRO C[N@@H+]1CC[C@@]2(CCN(C(=O)CCC(=O)N(CCC#N)c3ccccc3)C2)C1 ZINC000292599710 552741748 /nfs/dbraw/zinc/74/17/48/552741748.db2.gz RPJGVGPICDPZAT-OAQYLSRUSA-N 1 0 368.481 2.268 20 30 FEEDRO C=CCCCS(=O)(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000292798201 552759509 /nfs/dbraw/zinc/75/95/09/552759509.db2.gz ZAFXXNZHLIIUMC-SFHVURJKSA-N 1 0 352.500 2.163 20 30 FEEDRO CC(C)(CNC(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1)C[NH+]1CCCC1 ZINC000292812495 552761069 /nfs/dbraw/zinc/76/10/69/552761069.db2.gz YEWZTSFYLGHVSN-QGZVFWFLSA-N 1 0 371.485 2.238 20 30 FEEDRO C[C@H](CNC(=O)N1CCN(c2ncccc2C#N)CC1)[N@@H+]1CCCC[C@H]1C ZINC000501533574 561599795 /nfs/dbraw/zinc/59/97/95/561599795.db2.gz RQQQPFMAUSHHBO-IAGOWNOFSA-N 1 0 370.501 2.048 20 30 FEEDRO N#Cc1ccsc1NC(=O)C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000293816441 552859194 /nfs/dbraw/zinc/85/91/94/552859194.db2.gz WBFWMDYVBIYQEO-OAHLLOKOSA-N 1 0 360.483 2.472 20 30 FEEDRO C#CC[N@@H+](C)CCCNC(=O)CCc1nc(-c2ccc(OCC)cc2)no1 ZINC000294073110 552879738 /nfs/dbraw/zinc/87/97/38/552879738.db2.gz VZPWKVCABMHEOP-UHFFFAOYSA-N 1 0 370.453 2.139 20 30 FEEDRO C[C@@H]1C[N@@H+](CCCCNC(=O)c2cc(C#N)cc(N(C)C)c2)C[C@H](C)O1 ZINC000294861124 552939606 /nfs/dbraw/zinc/93/96/06/552939606.db2.gz GRZXHOOHIZMLIN-IYBDPMFKSA-N 1 0 358.486 2.243 20 30 FEEDRO C[C@@H]1C[NH+](CCCCNC(=O)c2cc(C#N)cc(N(C)C)c2)C[C@@H](C)O1 ZINC000294861117 552939727 /nfs/dbraw/zinc/93/97/27/552939727.db2.gz GRZXHOOHIZMLIN-HZPDHXFCSA-N 1 0 358.486 2.243 20 30 FEEDRO C#CCCOc1ccc(C(=O)NCCCC[NH+]2CCN(CC)CC2)cc1 ZINC000294975488 552948517 /nfs/dbraw/zinc/94/85/17/552948517.db2.gz RBZDILWFCQXLKF-UHFFFAOYSA-N 1 0 357.498 2.236 20 30 FEEDRO CN(C)c1cc(F)c(C(=O)N(CCC#N)CCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000295053590 552954599 /nfs/dbraw/zinc/95/45/99/552954599.db2.gz GTERMNWYMKXDAG-UHFFFAOYSA-N 1 0 365.409 2.107 20 30 FEEDRO COc1c(C)cnc(C[N@H+](C)C[C@H](O)COc2ccc(C#N)cc2)c1C ZINC000295107323 552959486 /nfs/dbraw/zinc/95/94/86/552959486.db2.gz HEWRKZGICVRNIH-KRWDZBQOSA-N 1 0 355.438 2.450 20 30 FEEDRO CS[C@H]1CN(C(=O)c2ccc(Br)cc2C#N)C[C@H]1[NH+](C)C ZINC000295131610 552961619 /nfs/dbraw/zinc/96/16/19/552961619.db2.gz YDRZEVYVKISUQP-KGLIPLIRSA-N 1 0 368.300 2.438 20 30 FEEDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)Cc2ccc(F)cc2C#N)[C@@H](C)C1 ZINC000295270247 552979240 /nfs/dbraw/zinc/97/92/40/552979240.db2.gz RZDFEJDKHXJOCD-SUMWQHHRSA-N 1 0 353.463 2.189 20 30 FEEDRO CCN(CC)C(=O)[C@H](C)[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000502155635 561613044 /nfs/dbraw/zinc/61/30/44/561613044.db2.gz JGIYHDPENLHHQR-HNNXBMFYSA-N 1 0 356.470 2.466 20 30 FEEDRO C#CCO[C@@H](C)C(=O)NC1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000295766713 553056350 /nfs/dbraw/zinc/05/63/50/553056350.db2.gz IDNFPPJANWTYBK-HNNXBMFYSA-N 1 0 364.873 2.338 20 30 FEEDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1S(=O)(=O)Cc1ccc(F)cc1C#N ZINC000295871036 553069944 /nfs/dbraw/zinc/06/99/44/553069944.db2.gz FQJBJFBPHXIHPC-CXAGYDPISA-N 1 0 351.447 2.086 20 30 FEEDRO C=C(C)Cn1c([C@@H]2CCCO2)nnc1N1CCN(c2ccccn2)CC1 ZINC000296136014 553110652 /nfs/dbraw/zinc/11/06/52/553110652.db2.gz XKVIOHKBAHXQSF-INIZCTEOSA-N 1 0 354.458 2.427 20 30 FEEDRO COc1cc(C[NH2+]C[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)ccc1C#N ZINC000296597756 553185162 /nfs/dbraw/zinc/18/51/62/553185162.db2.gz RCXNJCBZJPGCOE-MRXNPFEDSA-N 1 0 361.442 2.292 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N2C[C@H]3C[C@@H](C2)Cn2c(=O)cccc23)CC1 ZINC000296659582 553194682 /nfs/dbraw/zinc/19/46/82/553194682.db2.gz OKLAWPKXWZWEJG-DLBZAZTESA-N 1 0 370.497 2.018 20 30 FEEDRO CC(C)Oc1cccc(NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C)c1 ZINC000296731588 553204085 /nfs/dbraw/zinc/20/40/85/553204085.db2.gz CWIFJRVXVUGQMN-UHFFFAOYSA-N 1 0 360.458 2.106 20 30 FEEDRO C#CC[N@@H+](C)CCCNC(=O)N1CCC([C@@H](O)c2ccc(OC)cc2)CC1 ZINC000296793563 553212417 /nfs/dbraw/zinc/21/24/17/553212417.db2.gz HQZPRYBQLGVEIM-FQEVSTJZSA-N 1 0 373.497 2.105 20 30 FEEDRO Cc1cccc(NC(=O)C(=O)N[C@@H](CC(C)C)C[NH+]2CCCC2)c1C#N ZINC000296804782 553214257 /nfs/dbraw/zinc/21/42/57/553214257.db2.gz KMIKMJVTBBRJGZ-INIZCTEOSA-N 1 0 356.470 2.432 20 30 FEEDRO C#Cc1ccc(CNC(=O)N2CCC(N3CC[NH+](C(C)C)CC3)CC2)cc1 ZINC000297459504 553295165 /nfs/dbraw/zinc/29/51/65/553295165.db2.gz CGRNUSJGIWCRHI-UHFFFAOYSA-N 1 0 368.525 2.368 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)Nc1ccn2ccnc2c1)C(C)C ZINC000297705568 553327788 /nfs/dbraw/zinc/32/77/88/553327788.db2.gz BABJUJOQFYYXAF-KRWDZBQOSA-N 1 0 369.469 2.088 20 30 FEEDRO CN1CC[C@H]([NH+]2CCC(Nc3ncc(C#N)c4ccsc43)CC2)C1=O ZINC000601178124 553356950 /nfs/dbraw/zinc/35/69/50/553356950.db2.gz LYRHVBXBOROXLF-HNNXBMFYSA-N 1 0 355.467 2.275 20 30 FEEDRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)C(=O)N(C)C[C@@H](C)C#N ZINC000297977126 553365307 /nfs/dbraw/zinc/36/53/07/553365307.db2.gz YRGXRXHJDQONHD-HNNXBMFYSA-N 1 0 364.515 2.037 20 30 FEEDRO CC(C)[C@@H](CNC(=O)N[C@@H](C)c1ccc(C#N)cc1)[NH+]1CCN(C)CC1 ZINC000298766655 553470128 /nfs/dbraw/zinc/47/01/28/553470128.db2.gz ZIHGRGWECWZOOY-QFBILLFUSA-N 1 0 357.502 2.190 20 30 FEEDRO Cn1nnc2cc(C[NH2+][C@H]3CCCN(c4ccc(C#N)cc4)C3=O)ccc21 ZINC000503915697 561649718 /nfs/dbraw/zinc/64/97/18/561649718.db2.gz XOZQVYCWACQNRD-KRWDZBQOSA-N 1 0 360.421 2.125 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)Nc2ccc(OC)c(N3CCCCC3=O)c2)CC1 ZINC000299133732 553519829 /nfs/dbraw/zinc/51/98/29/553519829.db2.gz FVQDKJYPBMSAHJ-UHFFFAOYSA-N 1 0 369.465 2.496 20 30 FEEDRO N#Cc1c(F)cccc1N1CCN(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000504338693 561656458 /nfs/dbraw/zinc/65/64/58/561656458.db2.gz NJKOFLJHOOBCMN-CVEARBPZSA-N 1 0 371.460 2.156 20 30 FEEDRO N#Cc1cc(S(N)(=O)=O)ccc1NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000301210845 553631224 /nfs/dbraw/zinc/63/12/24/553631224.db2.gz VAWOIINQQWONDE-MRXNPFEDSA-N 1 0 360.439 2.048 20 30 FEEDRO C[N@@H+]1CCO[C@H]2CN(c3c(C#N)cnc4ccc(OC(F)F)cc43)C[C@H]21 ZINC000301647990 553668473 /nfs/dbraw/zinc/66/84/73/553668473.db2.gz IQEBICRNCIGPRW-CVEARBPZSA-N 1 0 360.364 2.227 20 30 FEEDRO N#Cc1ccc(N2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)cc1C(F)(F)F ZINC000301906882 553690901 /nfs/dbraw/zinc/69/09/01/553690901.db2.gz AIPDWQDZULQAIK-INIZCTEOSA-N 1 0 366.387 2.496 20 30 FEEDRO COC[C@H](C)NC(=[NH2+])NC[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000303904672 553746720 /nfs/dbraw/zinc/74/67/20/553746720.db2.gz YYEHSWUVHSGXJV-QWHCGFSZSA-N 1 0 369.307 2.215 20 30 FEEDRO CCOCCCNC(=[NH2+])NCC1CCN(Cc2csc(CC)n2)CC1 ZINC000304759861 553747707 /nfs/dbraw/zinc/74/77/07/553747707.db2.gz RPIFKHIETMVNIQ-UHFFFAOYSA-N 1 0 367.563 2.248 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)cc1Cl ZINC000326649932 553782665 /nfs/dbraw/zinc/78/26/65/553782665.db2.gz XSVWDEVCINRWDC-DOTOQJQBSA-N 1 0 361.854 2.327 20 30 FEEDRO C[N@@H+]1CCC[C@H](CNC(=O)N2CC[C@](F)(CO)C2)[C@H]1c1cccs1 ZINC000328702275 553809856 /nfs/dbraw/zinc/80/98/56/553809856.db2.gz NSTHTFUKMZLSTG-UKPHBRMFSA-N 1 0 355.479 2.451 20 30 FEEDRO C[C@@H]1CN(C(C)(C)CNC(=O)N[C@@H]2CCC(=O)NC23CCC3)C[C@H](C)O1 ZINC000328731276 553813549 /nfs/dbraw/zinc/81/35/49/553813549.db2.gz GNELUXAAUFKULW-QLFBSQMISA-N 1 0 366.506 2.419 20 30 FEEDRO CC(C)C[NH+]1CCC(NC(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2ccnn2C)CC1 ZINC000328793913 553823263 /nfs/dbraw/zinc/82/32/63/553823263.db2.gz BEQQFIFKINMFCS-QAPCUYQASA-N 1 0 361.490 2.016 20 30 FEEDRO CC(C)[NH+](CCN(C)CCS(=O)(=O)c1ccc(C#N)cc1)C(C)C ZINC000505814374 561681578 /nfs/dbraw/zinc/68/15/78/561681578.db2.gz WNSYBFMIPLVGNM-UHFFFAOYSA-N 1 0 351.516 2.383 20 30 FEEDRO CCS(=O)(=O)N1CCC[C@H](C(=O)NC[C@H]2CCCn3cc(C)nc32)C1 ZINC000328826098 553828466 /nfs/dbraw/zinc/82/84/66/553828466.db2.gz QDGKXIPTRRTNPV-CABCVRRESA-N 1 0 368.503 2.087 20 30 FEEDRO CC(C)[NH+]1CCC(O)(CNC(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)CC1 ZINC000328833027 553829483 /nfs/dbraw/zinc/82/94/83/553829483.db2.gz LNIHCCVPNRGEAJ-GVDBMIGSSA-N 1 0 365.518 2.073 20 30 FEEDRO C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@@H+]1CCC[C@@H]1[C@@H]1COCC[C@H]1O ZINC000328850043 553832231 /nfs/dbraw/zinc/83/22/31/553832231.db2.gz WISYWWYSDWRBGK-DRRXZNNHSA-N 1 0 367.490 2.297 20 30 FEEDRO CC(=O)N1CCN(C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)CC12CCCCC2 ZINC000328934905 553848309 /nfs/dbraw/zinc/84/83/09/553848309.db2.gz CGAQHYCJKFSHPT-FUHWJXTLSA-N 1 0 364.534 2.496 20 30 FEEDRO C[C@@H]1CCCC[N@@H+]1CCC(=O)N[C@@H]1CC(=O)N(C2CC2)[C@H]1c1ccnn1C ZINC000328994871 553861057 /nfs/dbraw/zinc/86/10/57/553861057.db2.gz JLBTUCGQOBYGDX-AKCHCHLHSA-N 1 0 373.501 2.446 20 30 FEEDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1ccnn1C ZINC000329006665 553862986 /nfs/dbraw/zinc/86/29/86/553862986.db2.gz XWDKQDSDWMZMNG-IIDMSEBBSA-N 1 0 361.490 2.016 20 30 FEEDRO CC(C)N1C[C@@H](NC(=O)NC2CC[NH+](CC3CCCC3)CC2)CC1=O ZINC000329012950 553864718 /nfs/dbraw/zinc/86/47/18/553864718.db2.gz IVKNFYWUUHPETJ-KRWDZBQOSA-N 1 0 350.507 2.154 20 30 FEEDRO C[N@@H+]1CC[C@@H]2OCCN(CC(=O)NCCc3cccc4cccnc43)[C@H]2C1 ZINC000329020461 553865994 /nfs/dbraw/zinc/86/59/94/553865994.db2.gz LUJDCKPATNHLDL-OALUTQOASA-N 1 0 368.481 2.139 20 30 FEEDRO CO[C@H]1C[C@@H](CN(C)CC(=O)NC(=O)N[C@@H]2CCCC[C@H]2C)[N@H+](C)C1 ZINC000329044621 553870888 /nfs/dbraw/zinc/87/08/88/553870888.db2.gz UMBAVBGIXULXMO-FXUDXRNXSA-N 1 0 354.495 2.087 20 30 FEEDRO CC(C)[C@@H]1C[C@H](NC(=O)N2CC[NH+](CC3CCOCC3)CC2)CCO1 ZINC000329103710 553880835 /nfs/dbraw/zinc/88/08/35/553880835.db2.gz CGBKKXAAHCGELH-MSOLQXFVSA-N 1 0 353.507 2.148 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@H]3[C@@H](C2)NC(=O)N3C(C)C)CC1 ZINC000329119854 553883511 /nfs/dbraw/zinc/88/35/11/553883511.db2.gz JYHWRSKLNHFFNJ-SJORKVTESA-N 1 0 363.506 2.022 20 30 FEEDRO Cn1cc([C@H]2CN(CC(=O)Nc3nc4c(s3)CCC4)C[C@@H]2C(N)=O)cn1 ZINC000329124964 553884512 /nfs/dbraw/zinc/88/45/12/553884512.db2.gz MBYYTNJLLSALSI-NEPJUHHUSA-N 1 0 374.470 2.204 20 30 FEEDRO O=C(NCc1ccccc1-n1ccnc1)N[C@@H]1CCO[C@]2(CCOC2)C1 ZINC000329128304 553885368 /nfs/dbraw/zinc/88/53/68/553885368.db2.gz VHMUWUFJRKQLPU-VQIMIIECSA-N 1 0 356.426 2.214 20 30 FEEDRO C[NH+](C)[C@H](CNC(=O)N[C@@H]1CCO[C@]2(CCOC2)C1)C1CCCCC1 ZINC000329131056 553886024 /nfs/dbraw/zinc/88/60/24/553886024.db2.gz XPBGURNKMKWTOC-ZHALLVOQSA-N 1 0 353.507 2.339 20 30 FEEDRO CCn1ccnc1[C@H]1OCC[C@@H]1NC(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000329130970 553886061 /nfs/dbraw/zinc/88/60/61/553886061.db2.gz ORMDSTKSFDVHQD-ULQDDVLXSA-N 1 0 363.506 2.357 20 30 FEEDRO C[C@H](NS(=O)(=O)c1cccs1)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000329139269 553887533 /nfs/dbraw/zinc/88/75/33/553887533.db2.gz FFISCIJTRQLVOH-QWHCGFSZSA-N 1 0 371.528 2.388 20 30 FEEDRO CN1CC[C@H]([NH+]2CCC(NC(=O)c3ccc4ncsc4c3)CC2)C1=O ZINC000329176500 553896155 /nfs/dbraw/zinc/89/61/55/553896155.db2.gz MMEDKLNISJVKSU-HNNXBMFYSA-N 1 0 358.467 2.296 20 30 FEEDRO O=C(N[C@H]1CC(=O)N(C2CCCCC2)C1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000329180558 553896843 /nfs/dbraw/zinc/89/68/43/553896843.db2.gz OGMASEGJWPDLIC-IRXDYDNUSA-N 1 0 362.518 2.252 20 30 FEEDRO Cc1noc(C)c1C(C)(C)C(=O)NC1CC[NH+]([C@@H]2CCN(C)C2=O)CC1 ZINC000329198734 553900556 /nfs/dbraw/zinc/90/05/56/553900556.db2.gz VRKSHVPQXBSRLC-OAHLLOKOSA-N 1 0 362.474 2.221 20 30 FEEDRO COCC1(C)CCN(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CC1 ZINC000329208887 553902647 /nfs/dbraw/zinc/90/26/47/553902647.db2.gz BWTKDBHNSIUERU-QZTJIDSGSA-N 1 0 367.534 2.417 20 30 FEEDRO CC[C@@H]1CN(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C[C@@H](C)S1(=O)=O ZINC000329212867 553903771 /nfs/dbraw/zinc/90/37/71/553903771.db2.gz INUGRBPXRWJZDE-TZMCWYRMSA-N 1 0 359.536 2.107 20 30 FEEDRO CCO[C@@H]1C[C@H](NC(=O)N2C[C@H](N3CCOCC3)C[C@@H]2C)C12CCCC2 ZINC000329244183 553909743 /nfs/dbraw/zinc/90/97/43/553909743.db2.gz UHGSWBNPZAWGES-XWTMOSNGSA-N 1 0 365.518 2.433 20 30 FEEDRO CC(C)[C@@H](C(=O)N[C@@H]1CCCN(S(=O)(=O)C2CC2)C1)[NH+]1CCCCC1 ZINC000329284377 553917840 /nfs/dbraw/zinc/91/78/40/553917840.db2.gz OJXLKYZHKZTKSP-WBVHZDCISA-N 1 0 371.547 2.410 20 30 FEEDRO CN(C(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1)[C@H]1C[NH+]2CCC1CC2 ZINC000329288172 553918476 /nfs/dbraw/zinc/91/84/76/553918476.db2.gz MPRMYMIACUEYKP-LPHOPBHVSA-N 1 0 356.445 2.076 20 30 FEEDRO C[C@H](C[C@@H]1CCCO1)NC(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000329308047 553922476 /nfs/dbraw/zinc/92/24/76/553922476.db2.gz ZLPPLBHIWXOHCK-BZZMCLGOSA-N 1 0 353.507 2.216 20 30 FEEDRO CN(C)C(=O)C1(CNC(=O)N2CCC([NH+]3CCCCC3)CC2)CCCC1 ZINC000329369977 553933843 /nfs/dbraw/zinc/93/38/43/553933843.db2.gz INAYCUFHZYIHFX-UHFFFAOYSA-N 1 0 364.534 2.499 20 30 FEEDRO C[C@]1(C[C@@H]2CCCN2C(=O)NC2CC[NH+](C3CC3)CC2)NC(=O)NC1=O ZINC000329415594 553942731 /nfs/dbraw/zinc/94/27/31/553942731.db2.gz CWVBDCFMYHQRQL-KBXCAEBGSA-N 1 0 363.462 2.025 20 30 FEEDRO O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)N1CCCC[C@H]1c1cc[nH]n1 ZINC000329444477 553948814 /nfs/dbraw/zinc/94/88/14/553948814.db2.gz NOAXWBSYOYVXLN-YJBOKZPZSA-N 1 0 361.490 2.352 20 30 FEEDRO CC(C)CNC(=O)N1CCC[C@H](C(=O)N2C[C@@H]3CCCC[N@@H+]3C[C@H]2C)C1 ZINC000329453556 553949954 /nfs/dbraw/zinc/94/99/54/553949954.db2.gz DGHQQBBHWPYURT-SQNIBIBYSA-N 1 0 364.534 2.354 20 30 FEEDRO Cc1noc([C@@H](NC(=O)N2CCC([NH2+]C(C)C)CC2)C2CCOCC2)n1 ZINC000329513461 553960165 /nfs/dbraw/zinc/96/01/65/553960165.db2.gz NVLWHKIULIRCMQ-INIZCTEOSA-N 1 0 365.478 2.222 20 30 FEEDRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)N1CCOC[C@@H]1[C@@H]1CCCO1 ZINC000329525953 553962182 /nfs/dbraw/zinc/96/21/82/553962182.db2.gz HIDYQBKABQKINW-MOPGFXCFSA-N 1 0 374.485 2.092 20 30 FEEDRO CCO[C@@H]1C[C@@H](NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C12CCOCC2 ZINC000329541128 553964586 /nfs/dbraw/zinc/96/45/86/553964586.db2.gz NFGQDEJLARZYFQ-ZFHLEULCSA-N 1 0 365.518 2.432 20 30 FEEDRO Cc1ncc2n1CC[C@H](C(=O)NC1CC[NH+]([C@@H]3CCCC[C@H]3O)CC1)C2 ZINC000329547536 553965908 /nfs/dbraw/zinc/96/59/08/553965908.db2.gz DSQJKFIWMKRLBO-KFKAGJAMSA-N 1 0 360.502 2.478 20 30 FEEDRO Cc1nccc(N2CCN(C([O-])=[NH+][C@H]3CCc4ccccc4C3)CC2)n1 ZINC000329568464 553968669 /nfs/dbraw/zinc/96/86/69/553968669.db2.gz LNMBHVUCDFBZNA-SFHVURJKSA-N 1 0 351.454 2.379 20 30 FEEDRO CCO[C@@H]1C[C@H](NC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)[C@@]12CCCO2 ZINC000329573746 553970176 /nfs/dbraw/zinc/97/01/76/553970176.db2.gz NMQORWUEZICTQO-NTDBWNAOSA-N 1 0 351.491 2.187 20 30 FEEDRO CC[C@H](NC(=O)[C@@H]1CCC(=O)N1C)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000329585961 553971935 /nfs/dbraw/zinc/97/19/35/553971935.db2.gz YHUJQQVHVGEWFX-OKZBNKHCSA-N 1 0 359.470 2.243 20 30 FEEDRO C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCCC[C@@H]1c1nnc([C@H]2CCCO2)o1 ZINC000329632890 553980344 /nfs/dbraw/zinc/98/03/44/553980344.db2.gz WLBAEYUXEAFWDJ-RBSFLKMASA-N 1 0 363.462 2.456 20 30 FEEDRO O=C(NC[C@H]1CCCCS1(=O)=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000329657786 553983225 /nfs/dbraw/zinc/98/32/25/553983225.db2.gz NIQNILAQKMLNAL-QGZVFWFLSA-N 1 0 371.547 2.112 20 30 FEEDRO O=C(NCc1ccnc(N2CCOCC2)c1)NC[C@H]1CCCCS1 ZINC000329680576 553987072 /nfs/dbraw/zinc/98/70/72/553987072.db2.gz XXEVTIVUKAEYKG-OAHLLOKOSA-N 1 0 350.488 2.208 20 30 FEEDRO C[NH+]1CCN(c2ncccc2CNC(=O)C2(C3CC3)CCOCC2)CC1 ZINC000329697875 553991021 /nfs/dbraw/zinc/99/10/21/553991021.db2.gz CMDVRWOAXWHIKB-UHFFFAOYSA-N 1 0 358.486 2.497 20 30 FEEDRO C[C@H](NC(=O)N[C@@H]1CCN(C(=O)C2CCCCC2)C1)C1=CC[N@H+](C)CC1 ZINC000329707961 553992955 /nfs/dbraw/zinc/99/29/55/553992955.db2.gz LYNJPLUJEYCNPO-MAUKXSAKSA-N 1 0 362.518 2.322 20 30 FEEDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H]1CCC(=O)N[C@@H]1[C@H]1CCCO1 ZINC000329721534 553995485 /nfs/dbraw/zinc/99/54/85/553995485.db2.gz DZSXKWYUZHYAPT-DXWTWGPWSA-N 1 0 364.490 2.126 20 30 FEEDRO COCCn1cc2c(n1)[C@H](NC(=O)N[C@@H]1CC[N@@H+]3CCCC[C@H]13)CCC2 ZINC000329725540 553995929 /nfs/dbraw/zinc/99/59/29/553995929.db2.gz BYJIKYMZKZZPCH-BRWVUGGUSA-N 1 0 361.490 2.037 20 30 FEEDRO CCC1(CNC(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)CCOCC1 ZINC000329806500 554009295 /nfs/dbraw/zinc/00/92/95/554009295.db2.gz NYTXXZJGSZFHOO-UHFFFAOYSA-N 1 0 366.550 2.255 20 30 FEEDRO CC1CC[NH+]([C@@H](CNC(=O)CN2CCOCC2=O)c2ccccc2)CC1 ZINC000329844728 554017688 /nfs/dbraw/zinc/01/76/88/554017688.db2.gz LNBVPKANYJBCJR-SFHVURJKSA-N 1 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COc1ccc(Cl)cc1NC(=O)[C@H](C)N1C[C@@H]2OCCN(C)[C@H]2C1 ZINC000329968641 554040839 /nfs/dbraw/zinc/04/08/39/554040839.db2.gz UAKZJZFZEAADKX-PJODQICGSA-N 1 0 353.850 2.340 20 30 FEEDRO CC1(C)CN(C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)C[C@@]2(CCOC2)O1 ZINC000330001303 554047501 /nfs/dbraw/zinc/04/75/01/554047501.db2.gz XUPZIAPOVANHPL-QFBILLFUSA-N 1 0 351.491 2.187 20 30 FEEDRO C[NH+]1CCN(c2ccc(NC(=O)c3coc(C4CCOCC4)n3)nc2)CC1 ZINC000330000467 554047661 /nfs/dbraw/zinc/04/76/61/554047661.db2.gz WLJJQCDMKZUOAA-UHFFFAOYSA-N 1 0 371.441 2.352 20 30 FEEDRO C[NH+](C)C1(CNC(=O)N2CC[C@@H](N3CCCC3=O)C2)CCCCCC1 ZINC000330039836 554053662 /nfs/dbraw/zinc/05/36/62/554053662.db2.gz CEILAJXEKZNELR-MRXNPFEDSA-N 1 0 350.507 2.252 20 30 FEEDRO Cn1cc(-c2ncc(C(=O)NC[C@]3([NH+](C)C)CCSC3)s2)cn1 ZINC000330053239 554056066 /nfs/dbraw/zinc/05/60/66/554056066.db2.gz QDWYSDNIWZFXIV-OAHLLOKOSA-N 1 0 351.501 2.286 20 30 FEEDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)N[C@H]2CC(=O)N(C)C2)CC1 ZINC000330056192 554056153 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SBLIDLUXHGUSBP-OAHLLOKOSA-N 1 0 360.506 2.060 20 30 FEEDRO O=C(CCNC(=O)C1CCCCC1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000330191407 554081788 /nfs/dbraw/zinc/08/17/88/554081788.db2.gz NAECTSJPHJSMSR-MRXNPFEDSA-N 1 0 351.491 2.094 20 30 FEEDRO O=C(NC1CCCCC1)NC1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CC2)CC1 ZINC000330203549 554084112 /nfs/dbraw/zinc/08/41/12/554084112.db2.gz AWDRHXKDBZPPEJ-GOSISDBHSA-N 1 0 362.518 2.441 20 30 FEEDRO Cc1ccc(NC(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1N1CCNC1=O ZINC000330206283 554084938 /nfs/dbraw/zinc/08/49/38/554084938.db2.gz DDLHZMJKSKVHES-HOTGVXAUSA-N 1 0 357.458 2.491 20 30 FEEDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)N[C@@H]1CCOC2(CCOCC2)C1 ZINC000330217571 554087586 /nfs/dbraw/zinc/08/75/86/554087586.db2.gz IOTSTAJGTAHOGY-SJORKVTESA-N 1 0 353.507 2.435 20 30 FEEDRO C[C@@H]1C[C@H](CCNC(=O)N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)CCO1 ZINC000330231922 554089868 /nfs/dbraw/zinc/08/98/68/554089868.db2.gz RGCNYJWKDIFREZ-GVDBMIGSSA-N 1 0 353.507 2.291 20 30 FEEDRO C=CCN1C(=O)c2ccc(C(=O)N3C[C@@H]4CCC[N@H+]4C[C@@H]3CC)cc2C1=O ZINC000330238674 554091115 /nfs/dbraw/zinc/09/11/15/554091115.db2.gz ZYZAQOPHIGUDJT-HOTGVXAUSA-N 1 0 367.449 2.167 20 30 FEEDRO CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1CCO[C@@H]1C1CC1 ZINC000330242854 554091601 /nfs/dbraw/zinc/09/16/01/554091601.db2.gz CHVQANNSEXRJLY-SFHLNBCPSA-N 1 0 373.497 2.037 20 30 FEEDRO CC(C)N1C[C@@H](NC(=O)N[C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)CC1=O ZINC000330253914 554093636 /nfs/dbraw/zinc/09/36/36/554093636.db2.gz OYCHZDNOYWKWHR-NJAFHUGGSA-N 1 0 358.486 2.335 20 30 FEEDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@H]1CCOC2(CCOCC2)C1 ZINC000330272957 554097355 /nfs/dbraw/zinc/09/73/55/554097355.db2.gz YKOMZQCWYGHBON-BBWFWOEESA-N 1 0 351.491 2.187 20 30 FEEDRO C[NH+](C)[C@H]1CCCN(C(=O)Nc2ccccc2CN2CCNC2=O)CC1 ZINC000330276163 554097786 /nfs/dbraw/zinc/09/77/86/554097786.db2.gz MMJNCXZRSJMVOD-INIZCTEOSA-N 1 0 359.474 2.378 20 30 FEEDRO CN1C(=O)CO[C@H](C(=O)NCC[NH+]2CCCCCC2)[C@@H]1c1ccccc1 ZINC000330315856 554104178 /nfs/dbraw/zinc/10/41/78/554104178.db2.gz YZQXMQKOMWKUGO-OALUTQOASA-N 1 0 359.470 2.417 20 30 FEEDRO Cn1nccc1[C@@H]1OCC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000330325552 554105457 /nfs/dbraw/zinc/10/54/57/554105457.db2.gz JJPNHSZLWZZCQG-JCGIZDLHSA-N 1 0 362.474 2.098 20 30 FEEDRO Cc1c(C(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)cccc1S(N)(=O)=O ZINC000330418405 554119116 /nfs/dbraw/zinc/11/91/16/554119116.db2.gz DEKBJNLEEJEQKN-CHWSQXEVSA-N 1 0 353.488 2.067 20 30 FEEDRO C[C@@H](CC#N)N(C)S(=O)(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000330427867 554120152 /nfs/dbraw/zinc/12/01/52/554120152.db2.gz UDMYARSDLWCAEF-LZLYRXPVSA-N 1 0 364.515 2.108 20 30 FEEDRO CCNS(=O)(=O)c1ccc(C)c(C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000330899990 554185270 /nfs/dbraw/zinc/18/52/70/554185270.db2.gz JNHYNUBGPXUUKC-ZIAGYGMSSA-N 1 0 353.488 2.081 20 30 FEEDRO CC(C)CNC(=O)N1CCC[C@H](C(=O)N(C)CC2CC[NH+](C)CC2)C1 ZINC000330904541 554186073 /nfs/dbraw/zinc/18/60/73/554186073.db2.gz MBYLFFQQCHWQTB-KRWDZBQOSA-N 1 0 352.523 2.069 20 30 FEEDRO CC[NH+]1CCC(CCNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)CC1 ZINC000330905647 554186234 /nfs/dbraw/zinc/18/62/34/554186234.db2.gz ROHJVLATDOMTFC-UHFFFAOYSA-N 1 0 367.515 2.364 20 30 FEEDRO CN(CC(=O)NC(=O)NC(C)(C)C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000331018423 554202005 /nfs/dbraw/zinc/20/20/05/554202005.db2.gz VZLPTMXDCGUPPL-QGZVFWFLSA-N 1 0 360.502 2.412 20 30 FEEDRO CC(=O)N1CCC[C@H](CNC(=O)N2CCC(CCC[NH+](C)C)CC2)C1 ZINC000331079842 554210067 /nfs/dbraw/zinc/21/00/67/554210067.db2.gz YMYOFMBTNOMECL-GOSISDBHSA-N 1 0 352.523 2.213 20 30 FEEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cccc(S(C)(=O)=O)c2)C[C@@H]1C ZINC000331096589 554211801 /nfs/dbraw/zinc/21/18/01/554211801.db2.gz AMGUWQPHOAINFQ-DZGCQCFKSA-N 1 0 353.488 2.440 20 30 FEEDRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N2CC[C@@H](CS(C)(=O)=O)C2)C1 ZINC000331150954 554222265 /nfs/dbraw/zinc/22/22/65/554222265.db2.gz ZXBGACVLRCZMLD-OWCLPIDISA-N 1 0 373.563 2.023 20 30 FEEDRO C[C@H](O)C[N@@H+]1CCN(C(=O)Nc2cc(Cl)ccc2N(C)C)[C@@H](C)C1 ZINC000331192422 554229072 /nfs/dbraw/zinc/22/90/72/554229072.db2.gz RMOQMCDFUYEGRJ-STQMWFEESA-N 1 0 354.882 2.338 20 30 FEEDRO C[C@H](COc1cccc(F)c1)NC(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C ZINC000331217831 554232343 /nfs/dbraw/zinc/23/23/43/554232343.db2.gz GQZXXGQKRZVPFH-HUUCEWRRSA-N 1 0 367.465 2.284 20 30 FEEDRO C[C@H](CS(C)(=O)=O)N(C)C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000331245717 554236082 /nfs/dbraw/zinc/23/60/82/554236082.db2.gz LYMPFNKQFYMYOA-ZBFHGGJFSA-N 1 0 359.536 2.062 20 30 FEEDRO C=CCSCCNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000509187366 561788953 /nfs/dbraw/zinc/78/89/53/561788953.db2.gz UUBRRLDMLCXODY-QZTJIDSGSA-N 1 0 363.527 2.088 20 30 FEEDRO CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCN(c3nc(C)ccc3C#N)C2)C1 ZINC000331874944 554336268 /nfs/dbraw/zinc/33/62/68/554336268.db2.gz PCXHQDAYDWMORG-MSOLQXFVSA-N 1 0 355.486 2.079 20 30 FEEDRO C[C@@H]1CN(CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)[C@@H](C)C[N@@H+]1C ZINC000509439614 561799723 /nfs/dbraw/zinc/79/97/23/561799723.db2.gz XQEHWOFYQYXJNF-CABCVRRESA-N 1 0 367.415 2.198 20 30 FEEDRO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000509737820 561812385 /nfs/dbraw/zinc/81/23/85/561812385.db2.gz LZWBIDVCAWOTGI-ROUUACIJSA-N 1 0 354.454 2.044 20 30 FEEDRO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)Cc1cc(C#N)ccc1F ZINC000332626156 554486390 /nfs/dbraw/zinc/48/63/90/554486390.db2.gz OQYROSXEBAVLTO-HOTGVXAUSA-N 1 0 351.447 2.086 20 30 FEEDRO CC[C@H](C)[NH2+][C@@H](CNS(=O)(=O)N(CC)C[C@H](C)C#N)c1ccco1 ZINC000510417179 561833928 /nfs/dbraw/zinc/83/39/28/561833928.db2.gz VGVCQJCMHMUNIE-ILXRZTDVSA-N 1 0 356.492 2.025 20 30 FEEDRO CCOc1ccc(C#N)cc1NC1CC[NH+](CCN2CCOCC2)CC1 ZINC000360682737 554885331 /nfs/dbraw/zinc/88/53/31/554885331.db2.gz WFCSFPTYCWMJIU-UHFFFAOYSA-N 1 0 358.486 2.165 20 30 FEEDRO N#CC[C@@H]1C[C@H]2[C@@H](CCC[C@H]2[NH2+]C[C@@H](O)CN2CCc3ccccc3C2)O1 ZINC000360790861 554889411 /nfs/dbraw/zinc/88/94/11/554889411.db2.gz CIYABQREDCZLMU-ZGJYDULXSA-N 1 0 369.509 2.235 20 30 FEEDRO C=CCc1ccc(OCC(=O)NC[C@H]2CN3CCCC[C@H]3CO2)c(OC)c1 ZINC000362719875 554983908 /nfs/dbraw/zinc/98/39/08/554983908.db2.gz PMSAVFNPBNGRKX-ROUUACIJSA-N 1 0 374.481 2.172 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@H]2Cn2nc(C)nc2C)CC1 ZINC000362742012 554985911 /nfs/dbraw/zinc/98/59/11/554985911.db2.gz QIHRUXBAAORYEB-SFHVURJKSA-N 1 0 360.506 2.109 20 30 FEEDRO COCc1nccc([C@H]2CCCN(CC(=O)Nc3ccc(C#N)cc3)C2)n1 ZINC000363020003 555011903 /nfs/dbraw/zinc/01/19/03/555011903.db2.gz BWBJQUVSPJJRJF-INIZCTEOSA-N 1 0 365.437 2.313 20 30 FEEDRO COc1ccc(CC(=O)N2CCC[N@H+](CCCSCC#N)CC2)cc1 ZINC000363046928 555018210 /nfs/dbraw/zinc/01/82/10/555018210.db2.gz HSHXHDRUYBQYGZ-UHFFFAOYSA-N 1 0 361.511 2.419 20 30 FEEDRO CCC[NH+]1CCN(C2CCN(C(=O)c3ccc(C#N)cc3C)CC2)CC1 ZINC000363164294 555043940 /nfs/dbraw/zinc/04/39/40/555043940.db2.gz LISBEZGOUYXTMI-UHFFFAOYSA-N 1 0 354.498 2.499 20 30 FEEDRO C#CCNC(=O)[C@H](C)[N@H+](C)CCCc1cc(-c2ccc(F)cc2)n(C)n1 ZINC000363246142 555062607 /nfs/dbraw/zinc/06/26/07/555062607.db2.gz PSHRBWBNABZBHR-HNNXBMFYSA-N 1 0 356.445 2.229 20 30 FEEDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000363943641 555219031 /nfs/dbraw/zinc/21/90/31/555219031.db2.gz AFKQZKZRJBYRJV-MRXNPFEDSA-N 1 0 367.457 2.381 20 30 FEEDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CCCN(c2ccc(C#N)cc2)CC1 ZINC000364429230 555312098 /nfs/dbraw/zinc/31/20/98/555312098.db2.gz XJJCCRSOVHQYAE-JXFKEZNVSA-N 1 0 367.497 2.263 20 30 FEEDRO C[N@@H+]1CC[C@@H](CNS(=O)(=O)c2ccc(F)c(C#N)c2)[C@@H]1c1cccnc1 ZINC000364567311 555340316 /nfs/dbraw/zinc/34/03/16/555340316.db2.gz GELCABNIZLDVNA-KSSFIOAISA-N 1 0 374.441 2.064 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)[C@@H]2CCCN(C(=O)c3cccs3)C2)CC1 ZINC000364736647 555389601 /nfs/dbraw/zinc/38/96/01/555389601.db2.gz LXCRIIHASUEZND-OAHLLOKOSA-N 1 0 361.511 2.367 20 30 FEEDRO C=C(CNC(=O)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C)c1ccccc1 ZINC000512668905 561911825 /nfs/dbraw/zinc/91/18/25/561911825.db2.gz XHUQLSSOBGVMOB-SFHVURJKSA-N 1 0 360.502 2.092 20 30 FEEDRO C=CCN(C(=O)NOC[C@H]1CCOC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000364959637 555450862 /nfs/dbraw/zinc/45/08/62/555450862.db2.gz XREUEVCQEGQKBZ-RBUKOAKNSA-N 1 0 359.470 2.427 20 30 FEEDRO N#Cc1cccc(F)c1CC(=O)NC1CC[NH+](Cc2cccnc2)CC1 ZINC000512913576 561919748 /nfs/dbraw/zinc/91/97/48/561919748.db2.gz RCBPYFVCKMBKKC-UHFFFAOYSA-N 1 0 352.413 2.416 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)NC2CCN(C(=O)c3ccoc3C)CC2)CC1 ZINC000365189877 555506355 /nfs/dbraw/zinc/50/63/55/555506355.db2.gz XPJGWUYKOHVALX-UHFFFAOYSA-N 1 0 374.485 2.142 20 30 FEEDRO C=CCc1ccc(OC[C@H](O)C[NH+]2CCC(c3nnc[nH]3)CC2)c(OC)c1 ZINC000365922044 555702004 /nfs/dbraw/zinc/70/20/04/555702004.db2.gz XBZIIGDSVAYKBI-QGZVFWFLSA-N 1 0 372.469 2.161 20 30 FEEDRO CC[C@H]1CN(Cc2nnc(-c3ccc(C#N)cc3)o2)C[C@]2(CCOC2)O1 ZINC000366579856 555881637 /nfs/dbraw/zinc/88/16/37/555881637.db2.gz XAXNXWIADJJJOR-LPHOPBHVSA-N 1 0 354.410 2.378 20 30 FEEDRO Cc1nn(C)cc1[C@H]1CCCN1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000366805133 555938314 /nfs/dbraw/zinc/93/83/14/555938314.db2.gz PZMSKMHWIKPEHQ-GOSISDBHSA-N 1 0 358.467 2.211 20 30 FEEDRO C=CCN1CC[C@@H](N(C)CC(=O)N2CCc3sccc3[C@H]2CC)C1=O ZINC000366873500 555956750 /nfs/dbraw/zinc/95/67/50/555956750.db2.gz ZVJTUUVPSYQURV-HZPDHXFCSA-N 1 0 361.511 2.303 20 30 FEEDRO Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N(C)CCC[NH+]3CCCC3)C2)n1 ZINC000366895476 555962595 /nfs/dbraw/zinc/96/25/95/555962595.db2.gz XTWZCCGFAFDMNH-LJQANCHMSA-N 1 0 369.513 2.422 20 30 FEEDRO CC1(C)[C@H](Oc2ccccc2)C[C@@H]1[NH2+]CCNC(=O)C1N=CC=CC1=O ZINC000366961465 555983332 /nfs/dbraw/zinc/98/33/32/555983332.db2.gz JHBNPXSVFUNTMY-POSVEHLBSA-N 1 0 355.438 2.349 20 30 FEEDRO C#CC[C@H](NC(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1)c1ccccc1 ZINC000367030663 556000320 /nfs/dbraw/zinc/00/03/20/556000320.db2.gz ROFUTISSXOWLTR-SESVDKBCSA-N 1 0 368.525 2.418 20 30 FEEDRO C=CCS(=O)(=O)CC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1C ZINC000367071422 556000743 /nfs/dbraw/zinc/00/07/43/556000743.db2.gz BKGXBMVTPADACI-HUUCEWRRSA-N 1 0 360.520 2.212 20 30 FEEDRO C=CCS(=O)(=O)CC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1C ZINC000367071423 556000881 /nfs/dbraw/zinc/00/08/81/556000881.db2.gz BKGXBMVTPADACI-LSDHHAIUSA-N 1 0 360.520 2.212 20 30 FEEDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1ccc(-n2ncc(C#N)c2N)cc1 ZINC000367464692 556057522 /nfs/dbraw/zinc/05/75/22/556057522.db2.gz IRYVZYQAYBDWAS-RDTXWAMCSA-N 1 0 364.453 2.025 20 30 FEEDRO N#Cc1ncn(CC[NH2+]Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)n1 ZINC000367606366 556095135 /nfs/dbraw/zinc/09/51/35/556095135.db2.gz JTOLBWDQRHBYSS-UHFFFAOYSA-N 1 0 361.331 2.348 20 30 FEEDRO C=CCN(C(=O)NCc1cncn1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000367851427 556154897 /nfs/dbraw/zinc/15/48/97/556154897.db2.gz VKBTZEGSEFIZQQ-GOSISDBHSA-N 1 0 353.470 2.392 20 30 FEEDRO C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000367851577 556155062 /nfs/dbraw/zinc/15/50/62/556155062.db2.gz AXODCLSYKJGIQZ-HUUCEWRRSA-N 1 0 370.453 2.049 20 30 FEEDRO COC(=O)C[C@H](C)CC(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000367994471 556190813 /nfs/dbraw/zinc/19/08/13/556190813.db2.gz SBOSVWUQWDECPS-MRXNPFEDSA-N 1 0 357.454 2.250 20 30 FEEDRO C#CC[C@@]1(C(=O)NC[C@H]2CC[N@@H+](CC)C2)CCCN1C(=O)OC(C)(C)C ZINC000368013533 556194899 /nfs/dbraw/zinc/19/48/99/556194899.db2.gz BLDFEXBEJQXWMJ-UZLBHIALSA-N 1 0 363.502 2.237 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)cc1Cl ZINC000368109481 556221480 /nfs/dbraw/zinc/22/14/80/556221480.db2.gz OIEGYDGAAMFZCU-AWEZNQCLSA-N 1 0 353.875 2.222 20 30 FEEDRO C[C@H]([NH2+][C@H]1CCC(=O)N[C@@H]1C1CC1)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000368495808 556326182 /nfs/dbraw/zinc/32/61/82/556326182.db2.gz KTYANWYOUJDBDZ-SOVGHPHASA-N 1 0 372.444 2.108 20 30 FEEDRO N#CC[C@@H]1C[C@H]2[C@@H](CCC[C@@H]2[NH2+]Cc2cnc(N3CCOCC3)c(F)c2)O1 ZINC000368630407 556369336 /nfs/dbraw/zinc/36/93/36/556369336.db2.gz DRQCRWXXMZKVKY-ZAWLATJESA-N 1 0 374.460 2.387 20 30 FEEDRO N#Cc1ccc(OC[C@H](O)C[NH2+][C@H]2CCN(c3ccc(F)cc3)C2)cc1 ZINC000515638011 562017856 /nfs/dbraw/zinc/01/78/56/562017856.db2.gz NGVFTFOBOGFFMQ-PKOBYXMFSA-N 1 0 355.413 2.306 20 30 FEEDRO N#Cc1c(NC(=O)CC[N@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)sc2c1CCC2 ZINC000368967203 556461529 /nfs/dbraw/zinc/46/15/29/556461529.db2.gz VSWNDAPZHKTZLW-NVGCLXPQSA-N 1 0 372.494 2.023 20 30 FEEDRO CCC[NH+]1CCN(C2CCN(C(=O)c3ccccc3OCC#N)CC2)CC1 ZINC000369158090 556520222 /nfs/dbraw/zinc/52/02/22/556520222.db2.gz VVABNMIKLGWVHN-UHFFFAOYSA-N 1 0 370.497 2.221 20 30 FEEDRO CC[NH+](CC)[C@H](CNC(=O)N1CCN(C2CC2)[C@@H](C#N)C1)c1ccco1 ZINC000369218462 556538411 /nfs/dbraw/zinc/53/84/11/556538411.db2.gz ISKBLXXWFJEGGJ-DLBZAZTESA-N 1 0 359.474 2.044 20 30 FEEDRO COc1ccc([C@H](CCC#N)[NH2+]C[C@@H]2CCC[C@@]23NC(=O)N(C)C3=O)cc1 ZINC000369322331 556574634 /nfs/dbraw/zinc/57/46/34/556574634.db2.gz QRUHYAFLZOFPFS-RIFZZMRRSA-N 1 0 370.453 2.350 20 30 FEEDRO N#Cc1cccnc1OC1CCC(NC(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)CC1 ZINC000516167548 562033649 /nfs/dbraw/zinc/03/36/49/562033649.db2.gz HDZPANLZXLRSCX-BFWZDYSYSA-N 1 0 369.469 2.037 20 30 FEEDRO C=CC[C@H](C)[C@@H](C)[NH2+]C[C@H]1CCn2ncc(C(=O)N3CCN(C)CC3)c2C1 ZINC000369519193 556618359 /nfs/dbraw/zinc/61/83/59/556618359.db2.gz PIEOZYFNINHHQI-KSZLIROESA-N 1 0 373.545 2.023 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)C[C@H]2Sc3ccccc3NC2=O)CC1 ZINC000369592115 556641190 /nfs/dbraw/zinc/64/11/90/556641190.db2.gz OVGNVVCAULNTDR-QGZVFWFLSA-N 1 0 357.479 2.093 20 30 FEEDRO C=C(C)[C@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cnn(C)c1 ZINC000369662218 556662702 /nfs/dbraw/zinc/66/27/02/556662702.db2.gz GOHBKXWOESVTOZ-WZGPROSRSA-N 1 0 360.502 2.291 20 30 FEEDRO C[C@H](C(=O)N1c2ccccc2C[C@H]1C)[NH+]1CCC(n2cnc(C#N)n2)CC1 ZINC000369730863 556680111 /nfs/dbraw/zinc/68/01/11/556680111.db2.gz RUWFTBDVKVNEFM-HUUCEWRRSA-N 1 0 364.453 2.153 20 30 FEEDRO C#CC[C@H](C)NC(=O)c1nnn(-c2cccc3c2CC[N@@H+](CC)C3)c1C ZINC000370259456 556824023 /nfs/dbraw/zinc/82/40/23/556824023.db2.gz CUYQGWYYAXDCNZ-AWEZNQCLSA-N 1 0 351.454 2.095 20 30 FEEDRO N#Cc1ccc(N2CCC[C@H]([N@H+]3CCCC[C@H]3[C@@H]3CNC(=O)C3)C2=O)cc1 ZINC000370500032 556892180 /nfs/dbraw/zinc/89/21/80/556892180.db2.gz OSLGEHCLLHFWTF-WDSOQIARSA-N 1 0 366.465 2.044 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N2C[C@H](C)OC3(CCOCC3)C2)CC1 ZINC000370510487 556895355 /nfs/dbraw/zinc/89/53/55/556895355.db2.gz XMZODPDDSFVTCH-INIZCTEOSA-N 1 0 351.491 2.006 20 30 FEEDRO N#Cc1nccc(NCCC[NH+]2CCN(c3cccc(Cl)c3)CC2)n1 ZINC000517172478 562078129 /nfs/dbraw/zinc/07/81/29/562078129.db2.gz HTKZVSPSNPZHOJ-UHFFFAOYSA-N 1 0 356.861 2.048 20 30 FEEDRO C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCC([N@@H+]2CCOC[C@H]2C)CC1 ZINC000517214124 562079819 /nfs/dbraw/zinc/07/98/19/562079819.db2.gz ZFFCYBABMWKHNW-HZPDHXFCSA-N 1 0 356.470 2.070 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)CC1 ZINC000371288636 557132863 /nfs/dbraw/zinc/13/28/63/557132863.db2.gz ZQDKJSCRDVTUDG-IBGZPJMESA-N 1 0 354.454 2.292 20 30 FEEDRO COCCC[NH+]1CCC(NC(=O)[C@]2(C#N)CCc3ccccc3C2)CC1 ZINC000371505710 557203355 /nfs/dbraw/zinc/20/33/55/557203355.db2.gz LHGCBCPLIJCSGO-OAQYLSRUSA-N 1 0 355.482 2.302 20 30 FEEDRO C[N@H+]1CC=C(CNC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)CC1 ZINC000371509420 557205338 /nfs/dbraw/zinc/20/53/38/557205338.db2.gz OZLXJUDSAJRHFX-QGZVFWFLSA-N 1 0 371.460 2.227 20 30 FEEDRO CC[N@@H+]1CCc2c(cccc2NC(=O)C(=O)N2CCC(C)(C#N)CC2)C1 ZINC000371641023 557247694 /nfs/dbraw/zinc/24/76/94/557247694.db2.gz CAMOFPMCEDKUFA-UHFFFAOYSA-N 1 0 354.454 2.155 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC2(CCOC2=O)CC1)C(C)C ZINC000371882375 557318939 /nfs/dbraw/zinc/31/89/39/557318939.db2.gz BRCVAYLKNKWLBM-QGZVFWFLSA-N 1 0 363.502 2.424 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)CCC(=O)c2ccc(OC)c(OC)c2)CC1 ZINC000518496796 562112935 /nfs/dbraw/zinc/11/29/35/562112935.db2.gz HIODOJDPSQITQB-UHFFFAOYSA-N 1 0 360.454 2.433 20 30 FEEDRO CCCC[C@H](ON=C(C)C)C(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000371995051 557350914 /nfs/dbraw/zinc/35/09/14/557350914.db2.gz WASYRFYRRPLHJQ-QRVBRYPASA-N 1 0 366.550 2.442 20 30 FEEDRO C[C@@H]1C[C@H](NC(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)C[N@@H+]1C1CC1 ZINC000372348833 557447245 /nfs/dbraw/zinc/44/72/45/557447245.db2.gz YHTNVFWTEFOCEM-LJHODMEESA-N 1 0 354.454 2.266 20 30 FEEDRO N#Cc1ccc(NC(=O)CC[N@@H+]2CC[C@]3(C2)C(=O)Nc2ccccc23)cc1 ZINC000372355008 557448213 /nfs/dbraw/zinc/44/82/13/557448213.db2.gz FAGWPEOTWOWAKB-OAQYLSRUSA-N 1 0 360.417 2.483 20 30 FEEDRO CO/N=C/c1ccc(C(=O)NC[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)cc1 ZINC000372410939 557463853 /nfs/dbraw/zinc/46/38/53/557463853.db2.gz YUKQJPCNBIPSQO-GGJQROPYSA-N 1 0 352.438 2.485 20 30 FEEDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)C1 ZINC000519318217 562129210 /nfs/dbraw/zinc/12/92/10/562129210.db2.gz ZULVGMGPEMHTNR-OAHLLOKOSA-N 1 0 356.470 2.273 20 30 FEEDRO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCCN(c3ncccc3F)CC2)cc1 ZINC000372609678 557520112 /nfs/dbraw/zinc/52/01/12/557520112.db2.gz AHQPOSYQUZKVJP-QGZVFWFLSA-N 1 0 370.428 2.044 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+]CCCc2c[nH]c3ccccc23)nc1 ZINC000519600392 562136634 /nfs/dbraw/zinc/13/66/34/562136634.db2.gz WMZGYUYTVRIUQI-UHFFFAOYSA-N 1 0 368.462 2.431 20 30 FEEDRO O=C1NCCN1[C@H]1CCCN(CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000372768830 557558817 /nfs/dbraw/zinc/55/88/17/557558817.db2.gz WQVSHGQUTFFHPL-HNNXBMFYSA-N 1 0 367.371 2.426 20 30 FEEDRO N#CC1(c2ccccc2)CC([NH2+]Cc2ccc(S(=O)(=O)CCO)cc2)C1 ZINC000372790058 557562888 /nfs/dbraw/zinc/56/28/88/557562888.db2.gz ZOYJIMHTBGNBSZ-UHFFFAOYSA-N 1 0 370.474 2.166 20 30 FEEDRO N#Cc1ccc([C@@H](O)C[N@@H+]2CCC[C@@H](C(=O)Nc3nccs3)C2)cc1 ZINC000372797577 557564283 /nfs/dbraw/zinc/56/42/83/557564283.db2.gz BGAKHPFHJOSHBY-CVEARBPZSA-N 1 0 356.451 2.399 20 30 FEEDRO CN1C(=O)C[C@@H]([NH2+]CC(=O)Nc2cccc(C#N)c2)[C@H]1c1ccc(F)cc1 ZINC000372810835 557566682 /nfs/dbraw/zinc/56/66/82/557566682.db2.gz XDMVHQZIEGCQIX-YLJYHZDGSA-N 1 0 366.396 2.197 20 30 FEEDRO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1NC(=O)Cc1cccc(OCC#N)c1 ZINC000372863304 557578121 /nfs/dbraw/zinc/57/81/21/557578121.db2.gz MNYJYVXIFRXMDB-UXPWSPDFSA-N 1 0 371.481 2.137 20 30 FEEDRO N#Cc1ccc(N2CCCN(C(=O)C3CC[NH+](C4CC4)CC3)CC2)cc1 ZINC000373236836 557655663 /nfs/dbraw/zinc/65/56/63/557655663.db2.gz LWKVYEMUBHRJOY-UHFFFAOYSA-N 1 0 352.482 2.471 20 30 FEEDRO CC(C)N(C(=O)C[NH+]1CCC(n2cnc(C#N)n2)CC1)c1ccccc1 ZINC000373415287 557689560 /nfs/dbraw/zinc/68/95/60/557689560.db2.gz YIWGGPBHNCEGAQ-UHFFFAOYSA-N 1 0 352.442 2.228 20 30 FEEDRO C[C@H]1CCC[N@H+](CCCCNC(=O)N2CCC(n3cnc(C#N)n3)CC2)C1 ZINC000373450664 557695887 /nfs/dbraw/zinc/69/58/87/557695887.db2.gz AGUFYWLBLKFYLX-INIZCTEOSA-N 1 0 373.505 2.008 20 30 FEEDRO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCC[C@@]3(CNC(=O)O3)C1)CCC2 ZINC000373674299 557736445 /nfs/dbraw/zinc/73/64/45/557736445.db2.gz PCMNNRUROROWBT-GOSISDBHSA-N 1 0 374.466 2.011 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N2C[C@H](C)O[C@@]3(CCO[C@H](C)C3)C2)CC1 ZINC000373777623 557757102 /nfs/dbraw/zinc/75/71/02/557757102.db2.gz NMXCSXNDMHSOAF-FUHIMQAGSA-N 1 0 365.518 2.395 20 30 FEEDRO CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000373965155 557797963 /nfs/dbraw/zinc/79/79/63/557797963.db2.gz NVJHDYZMNAWXKK-VAMGGRTRSA-N 1 0 366.465 2.139 20 30 FEEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+][C@@]2(CO)CCCc3ccccc32)c1 ZINC000374136234 557829481 /nfs/dbraw/zinc/82/94/81/557829481.db2.gz HXDJGJPNOOBWDY-HXUWFJFHSA-N 1 0 370.474 2.146 20 30 FEEDRO Cc1nccnc1N1CC[NH+](Cc2ccc(N(C)CCC#N)cc2)CC1 ZINC000374219451 557845247 /nfs/dbraw/zinc/84/52/47/557845247.db2.gz XMLGRGQCJJATNT-UHFFFAOYSA-N 1 0 350.470 2.457 20 30 FEEDRO C[NH+](C)Cc1cccc(C(=O)N2C[C@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)c1 ZINC000374379520 557875069 /nfs/dbraw/zinc/87/50/69/557875069.db2.gz HEVQRPNLNQMFCI-JTSKRJEESA-N 1 0 374.444 2.234 20 30 FEEDRO COc1cccc(OCCN2C[C@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)c1 ZINC000374390452 557877416 /nfs/dbraw/zinc/87/74/16/557877416.db2.gz WLMBVWNAIMOFOD-BTYIYWSLSA-N 1 0 363.417 2.419 20 30 FEEDRO CN(CCC#N)C(=O)CC[NH+]1CCC([C@@H]2c3ccccc3NC2=O)CC1 ZINC000374468619 557887877 /nfs/dbraw/zinc/88/78/77/557887877.db2.gz DRGWDKMBKFKCNM-LJQANCHMSA-N 1 0 354.454 2.196 20 30 FEEDRO C=CCNC(=O)NC(=O)[C@H](C)NC[C@H]1CCC[N@H+](C)[C@@H]1c1ccccc1 ZINC000375459707 558030957 /nfs/dbraw/zinc/03/09/57/558030957.db2.gz LMLANGCEKKXEGM-CGTJXYLNSA-N 1 0 358.486 2.059 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N(C)[C@H](C)c2c(F)cccc2F)CC1 ZINC000521416226 562175979 /nfs/dbraw/zinc/17/59/79/562175979.db2.gz KJTMTUUUISBIOY-CYBMUJFWSA-N 1 0 365.424 2.251 20 30 FEEDRO COC(=O)C[C@@H]1CC[C@@H]([NH2+]C2CCN(c3ccc(C#N)cn3)CC2)[C@@H]1C ZINC000375675159 558065756 /nfs/dbraw/zinc/06/57/56/558065756.db2.gz CVXFYBMSTKNJSM-UWWQBHOKSA-N 1 0 356.470 2.489 20 30 FEEDRO CC(C)n1nc2c(cc1=O)CN([C@@H](C)C(=O)Nc1cccc(C#N)c1)CC2 ZINC000375884591 558093716 /nfs/dbraw/zinc/09/37/16/558093716.db2.gz VTDNZHFMGUHECO-AWEZNQCLSA-N 1 0 365.437 2.081 20 30 FEEDRO C[C@H](C#N)Oc1ccc(C[NH2+]C[C@@H]2C[C@H](F)CN2c2cccnn2)cc1 ZINC000376008809 558113085 /nfs/dbraw/zinc/11/30/85/558113085.db2.gz UKTMAIHOEVFXOU-PVAVHDDUSA-N 1 0 355.417 2.474 20 30 FEEDRO C[N@H+]1CC=C(CNC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)CC1 ZINC000376132098 558131180 /nfs/dbraw/zinc/13/11/80/558131180.db2.gz XRPQSRVPZIIRFT-UHFFFAOYSA-N 1 0 356.445 2.292 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N2CCC3(C[C@@H]3c3nnc(C)o3)CC2)CC1 ZINC000376229235 558144678 /nfs/dbraw/zinc/14/46/78/558144678.db2.gz XGGIBSHWSVASAL-MRXNPFEDSA-N 1 0 359.474 2.308 20 30 FEEDRO C#CCOc1ccccc1NC(=O)N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000376334810 558159574 /nfs/dbraw/zinc/15/95/74/558159574.db2.gz QYMXHWQXEUOMIP-GOSISDBHSA-N 1 0 370.497 2.331 20 30 FEEDRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)N1CCN(c2ncccc2C#N)CC1 ZINC000521691458 562182299 /nfs/dbraw/zinc/18/22/99/562182299.db2.gz VIODGMSVXAKVAM-IAGOWNOFSA-N 1 0 370.501 2.048 20 30 FEEDRO CC[N@H+](C)CCNC(=O)C1CCN(c2c(F)cc(C#N)cc2F)CC1 ZINC000376708490 558211811 /nfs/dbraw/zinc/21/18/11/558211811.db2.gz CAGLONVJXFWRIB-UHFFFAOYSA-N 1 0 350.413 2.121 20 30 FEEDRO COCCOc1ccc(C#N)cc1NC(=O)N1CC[C@H]2CC[N@H+](C)[C@H]2C1 ZINC000376837121 558227987 /nfs/dbraw/zinc/22/79/87/558227987.db2.gz ROAWPSMZMPSBLF-WBVHZDCISA-N 1 0 358.442 2.141 20 30 FEEDRO N#Cc1ccc(OC2CCC(NC(=O)N3CC[NH+]4CCC3CC4)CC2)nc1 ZINC000376913576 558238204 /nfs/dbraw/zinc/23/82/04/558238204.db2.gz DQHTVSIOVHKECU-UHFFFAOYSA-N 1 0 369.469 2.133 20 30 FEEDRO C[C@@H]1CN(C(=O)C2(c3ccc(C#N)cc3)CC2)CCN1C1CC[NH+](C)CC1 ZINC000376965747 558245375 /nfs/dbraw/zinc/24/53/75/558245375.db2.gz BHQKQBJOAVRPRB-QGZVFWFLSA-N 1 0 366.509 2.217 20 30 FEEDRO C=CCN1CC[C@H]([NH+]2CCC(c3nccc(C(F)(F)F)n3)CC2)C1=O ZINC000377106237 558267727 /nfs/dbraw/zinc/26/77/27/558267727.db2.gz PBJYFHNFMDGVHU-ZDUSSCGKSA-N 1 0 354.376 2.462 20 30 FEEDRO N#Cc1ccc(NC(=O)CN2[C@@H]3CCCC[C@@H]3C[C@H]2C(N)=O)cc1Cl ZINC000377169064 558280797 /nfs/dbraw/zinc/28/07/97/558280797.db2.gz SZMIMFKRVGYLRV-LYRGGWFBSA-N 1 0 360.845 2.269 20 30 FEEDRO CCOC(=O)C1CCN(C(=O)C[C@@H](C)[NH2+]Cc2ccc(CC#N)cc2)CC1 ZINC000522000055 562188596 /nfs/dbraw/zinc/18/85/96/562188596.db2.gz CZBLPCXUEJUTBJ-MRXNPFEDSA-N 1 0 371.481 2.423 20 30 FEEDRO CC(C)[C@@](C)(C#N)NC(=O)CN(C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000377360226 558324559 /nfs/dbraw/zinc/32/45/59/558324559.db2.gz XUDUOQWDPGDWPO-YSIASYRMSA-N 1 0 357.502 2.061 20 30 FEEDRO C=CCN1C(=O)c2ccc(C(=O)N3[C@H](C)C[N@H+](CC)C[C@@H]3C)cc2C1=O ZINC000522030721 562189715 /nfs/dbraw/zinc/18/97/15/562189715.db2.gz NSVFUHGONJVTHB-OKILXGFUSA-N 1 0 355.438 2.023 20 30 FEEDRO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+](C)C[C@H]1CCCN1c1cccnn1 ZINC000377565431 558365820 /nfs/dbraw/zinc/36/58/20/558365820.db2.gz KFUJRUMCAQDDNX-CRAIPNDOSA-N 1 0 364.453 2.276 20 30 FEEDRO N#CC1(NC(=O)CN2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)CCC1 ZINC000377771262 558416608 /nfs/dbraw/zinc/41/66/08/558416608.db2.gz FPLHVLNAVRRDQG-MOPGFXCFSA-N 1 0 352.482 2.003 20 30 FEEDRO CN(C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)S(=O)(=O)CCC(C)(C)C#N ZINC000377859481 558436578 /nfs/dbraw/zinc/43/65/78/558436578.db2.gz HVAAAOXMASZKLD-IRXDYDNUSA-N 1 0 364.515 2.276 20 30 FEEDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NS(=O)(=O)Cc1ccc(C#N)cc1 ZINC000389879668 558610172 /nfs/dbraw/zinc/61/01/72/558610172.db2.gz NMZWXXXQYGBVLV-OXJNMPFZSA-N 1 0 369.490 2.498 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2CCC3(CC[NH2+]CC3)CC2)c(Cl)c1 ZINC000391896196 558615247 /nfs/dbraw/zinc/61/52/47/558615247.db2.gz DYIQFJVKBXHTSU-UHFFFAOYSA-N 1 0 353.875 2.366 20 30 FEEDRO CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NS(=O)(=O)c1cncc(C#N)c1 ZINC000398169457 558625999 /nfs/dbraw/zinc/62/59/99/558625999.db2.gz NWHDTNWJRXTZED-LJQANCHMSA-N 1 0 372.494 2.388 20 30 FEEDRO C=CCN1CC[C@H]([N@H+](C)C[C@H](O)COc2ccc(C(F)(F)F)cc2)C1=O ZINC000410394523 558755060 /nfs/dbraw/zinc/75/50/60/558755060.db2.gz YZJQMGBRSQWZRL-HOCLYGCPSA-N 1 0 372.387 2.164 20 30 FEEDRO C[C@@H](C#N)CN(C)C(=O)C(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000410900377 558821087 /nfs/dbraw/zinc/82/10/87/558821087.db2.gz QMMUHAILIPXDQP-IRXDYDNUSA-N 1 0 362.518 2.108 20 30 FEEDRO COCC[C@]1([NH2+]CCC(=O)Nc2ccc(C#N)c(Cl)c2)CCOC1 ZINC000411640932 558934417 /nfs/dbraw/zinc/93/44/17/558934417.db2.gz LEERDWORFHCJRQ-KRWDZBQOSA-N 1 0 351.834 2.325 20 30 FEEDRO C[NH+](C)CCN(Cc1ccsc1)C(=O)C(=O)Nc1ccc(C#N)cc1F ZINC000411691741 558945327 /nfs/dbraw/zinc/94/53/27/558945327.db2.gz IEYDZVBMLRMVMY-UHFFFAOYSA-N 1 0 374.441 2.288 20 30 FEEDRO CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@@H](c1ccccc1)C1(CO)CCOCC1 ZINC000412010483 559001969 /nfs/dbraw/zinc/00/19/69/559001969.db2.gz QRBBGCVHLBHYEY-PMACEKPBSA-N 1 0 373.497 2.161 20 30 FEEDRO C=CCC[C@@H](NC(=O)C1CC[NH+]([C@H]2CCSC2)CC1)C(=O)OCC ZINC000412391980 559032720 /nfs/dbraw/zinc/03/27/20/559032720.db2.gz DRUXCDDKRVGAFD-JKSUJKDBSA-N 1 0 354.516 2.218 20 30 FEEDRO N#Cc1ccc(C(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)nc1 ZINC000526945648 562270245 /nfs/dbraw/zinc/27/02/45/562270245.db2.gz FDEUOFBJSNMMHH-UHFFFAOYSA-N 1 0 352.360 2.488 20 30 FEEDRO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)Nc2sc(C(C)(C)C)cc2C#N)C1 ZINC000415288466 559221391 /nfs/dbraw/zinc/22/13/91/559221391.db2.gz YWMZVXXZSLNBBV-GFCCVEGCSA-N 1 0 362.499 2.314 20 30 FEEDRO [NH3+]CC1CCN(C(=O)C(=O)Nc2cccc(C#Cc3ccccc3)c2)CC1 ZINC000415313684 559223285 /nfs/dbraw/zinc/22/32/85/559223285.db2.gz WEBOWHBSMQIIRQ-UHFFFAOYSA-N 1 0 361.445 2.222 20 30 FEEDRO C[C@@H]1C[NH2+]CCN1C(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000415348383 559226151 /nfs/dbraw/zinc/22/61/51/559226151.db2.gz VLEAHCGAJHLOQA-CQSZACIVSA-N 1 0 364.405 2.109 20 30 FEEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000415353321 559226593 /nfs/dbraw/zinc/22/65/93/559226593.db2.gz LMAMZFFBSVKAAT-RBSFLKMASA-N 1 0 374.510 2.381 20 30 FEEDRO [NH3+]C1CCC(NC(=O)C(=O)Nc2ccccc2C#Cc2ccccc2)CC1 ZINC000415366397 559228016 /nfs/dbraw/zinc/22/80/16/559228016.db2.gz FAUZNIPSBUSXES-UHFFFAOYSA-N 1 0 361.445 2.411 20 30 FEEDRO CC(C)(C#N)c1ccc(NC(=O)C(=O)NC[C@@H]([NH3+])c2ccccc2)cc1 ZINC000415391008 559230434 /nfs/dbraw/zinc/23/04/34/559230434.db2.gz KYUDWWSSNAJBFS-QGZVFWFLSA-N 1 0 350.422 2.242 20 30 FEEDRO N#CCCCOc1cccc(NC(=O)C(=O)NC[C@H]([NH3+])c2ccccc2)c1 ZINC000415396923 559231187 /nfs/dbraw/zinc/23/11/87/559231187.db2.gz VCVUVGIWELNRFJ-SFHVURJKSA-N 1 0 366.421 2.124 20 30 FEEDRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)Nc2ccccc2SCCC#N)C1 ZINC000415437003 559236642 /nfs/dbraw/zinc/23/66/42/559236642.db2.gz KKLBRDPOVRGIKS-KBPBESRZSA-N 1 0 360.483 2.217 20 30 FEEDRO CCC(CC)(C[NH3+])NC(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 ZINC000415445373 559237827 /nfs/dbraw/zinc/23/78/27/559237827.db2.gz GQIOYYRLEGNGCX-UHFFFAOYSA-N 1 0 360.849 3.036 20 30 FEEDRO N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])n1 ZINC000415461825 559239602 /nfs/dbraw/zinc/23/96/02/559239602.db2.gz OQMSZEJOWKSHOB-IUODEOHRSA-N 1 0 372.860 3.036 20 30 FEEDRO CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000415463207 559239797 /nfs/dbraw/zinc/23/97/97/559239797.db2.gz JLGBAKQMLUUEOR-UHFFFAOYSA-N 1 0 371.485 2.044 20 30 FEEDRO CC(C)C[C@@H](C[NH3+])NC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 ZINC000415464600 559239980 /nfs/dbraw/zinc/23/99/80/559239980.db2.gz ROUARACJOPLHRB-AWEZNQCLSA-N 1 0 360.849 2.892 20 30 FEEDRO Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)NCC1([NH3+])CCCCCC1 ZINC000415481564 559241813 /nfs/dbraw/zinc/24/18/13/559241813.db2.gz BBFLJQKKYAGHSE-UHFFFAOYSA-N 1 0 367.457 2.621 20 30 FEEDRO CCCN(C(=O)C(=O)Nc1ccc(OC(C)C)c(C#N)c1)C1CC[NH2+]CC1 ZINC000415499832 559243972 /nfs/dbraw/zinc/24/39/72/559243972.db2.gz LMZYDKQZGNYXHU-UHFFFAOYSA-N 1 0 372.469 2.275 20 30 FEEDRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)Nc1cccc(OCCCC#N)c1 ZINC000415505430 559244533 /nfs/dbraw/zinc/24/45/33/559244533.db2.gz QDNYXGTYMCELHJ-KRWDZBQOSA-N 1 0 360.458 2.139 20 30 FEEDRO N#Cc1cc(NC(=O)NC[C@H]2C[NH2+]CCO2)ccc1Oc1ccccc1 ZINC000415535559 559247502 /nfs/dbraw/zinc/24/75/02/559247502.db2.gz LUNLXOXTQOUJSA-QGZVFWFLSA-N 1 0 352.394 2.460 20 30 FEEDRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)Nc1cccc(C#Cc2ccccc2)c1 ZINC000415542720 559248028 /nfs/dbraw/zinc/24/80/28/559248028.db2.gz QPXPDCWOEVAQHB-QFBILLFUSA-N 1 0 361.445 2.221 20 30 FEEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000415584478 559252603 /nfs/dbraw/zinc/25/26/03/559252603.db2.gz SOQCAMZNFUJXLG-LIRRHRJNSA-N 1 0 374.510 2.383 20 30 FEEDRO C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000415603735 559254438 /nfs/dbraw/zinc/25/44/38/559254438.db2.gz UNTAYSXOVVFHRW-DVOMOZLQSA-N 1 0 364.471 2.011 20 30 FEEDRO C[C@@H](CCCC[NH3+])NC(=O)Nc1ccc(S(=O)(=O)[C@@H](C)C#N)cc1 ZINC000415604261 559254524 /nfs/dbraw/zinc/25/45/24/559254524.db2.gz VKYUVRLQYZUVOP-STQMWFEESA-N 1 0 352.460 2.011 20 30 FEEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000415624069 559256082 /nfs/dbraw/zinc/25/60/82/559256082.db2.gz JGQGUBHJTYJZBZ-UONOGXRCSA-N 1 0 360.483 2.135 20 30 FEEDRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)Nc1cccc(C#Cc2ccccc2)c1 ZINC000415660196 559259133 /nfs/dbraw/zinc/25/91/33/559259133.db2.gz PHJVTNKMCZMRSN-UZLBHIALSA-N 1 0 361.445 2.139 20 30 FEEDRO C[C@]1(C[NH3+])CCN(C(=O)C(=O)Nc2ccccc2C#Cc2ccccc2)C1 ZINC000415683692 559261470 /nfs/dbraw/zinc/26/14/70/559261470.db2.gz DCRHPOYCWGTSSQ-JOCHJYFZSA-N 1 0 361.445 2.222 20 30 FEEDRO C[C@]1(C[NH3+])CCN(C(=O)C(=O)Nc2cccc(C#Cc3ccccc3)c2)C1 ZINC000415684512 559261652 /nfs/dbraw/zinc/26/16/52/559261652.db2.gz FIZCHITYBKZIRL-JOCHJYFZSA-N 1 0 361.445 2.222 20 30 FEEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000415767331 559269302 /nfs/dbraw/zinc/26/93/02/559269302.db2.gz MPWGXRXWHHKJMG-KFWWJZLASA-N 1 0 372.494 2.087 20 30 FEEDRO CC(C)[C@@H]1CCc2c(sc(NC(=O)C(=O)N[C@@H](C)[C@@H](C)[NH3+])c2C#N)C1 ZINC000415800163 559272421 /nfs/dbraw/zinc/27/24/21/559272421.db2.gz FCMLNTULJHVLGR-GRYCIOLGSA-N 1 0 362.499 2.171 20 30 FEEDRO CCc1ccccc1[C@@H]([NH3+])CNC(=O)C(=O)Nc1cccc(CC#N)c1 ZINC000415832595 559276348 /nfs/dbraw/zinc/27/63/48/559276348.db2.gz GWBSPTTXGRRFLR-SFHVURJKSA-N 1 0 350.422 2.070 20 30 FEEDRO [NH3+]C[C@@H]1CC[C@H](NC(=O)C(=O)Nc2ccccc2C#Cc2ccccc2)C1 ZINC000415842191 559277584 /nfs/dbraw/zinc/27/75/84/559277584.db2.gz WSQDQQOHGJFTFH-MJGOQNOKSA-N 1 0 361.445 2.269 20 30 FEEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000415845076 559278006 /nfs/dbraw/zinc/27/80/06/559278006.db2.gz JNJQCLXXVHUQGS-KFWWJZLASA-N 1 0 374.510 2.320 20 30 FEEDRO O=C(NCCC[NH2+]C1CC1)C(=O)Nc1ccccc1C#Cc1ccccc1 ZINC000415859590 559279352 /nfs/dbraw/zinc/27/93/52/559279352.db2.gz BHQXJIOVQOKHAV-UHFFFAOYSA-N 1 0 361.445 2.283 20 30 FEEDRO C=C(C)COc1cccc(NC(=O)C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000415875146 559280583 /nfs/dbraw/zinc/28/05/83/559280583.db2.gz YEPUSPKYNBERAS-HLLBOEOZSA-N 1 0 357.454 2.084 20 30 FEEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000415889103 559281253 /nfs/dbraw/zinc/28/12/53/559281253.db2.gz WQEKLWQNWGLVTG-BFHYXJOUSA-N 1 0 360.483 2.134 20 30 FEEDRO CC[NH2+]Cc1cccc(NC(=O)N2CCN(c3ncccc3C#N)CC2)c1 ZINC000415933869 559283299 /nfs/dbraw/zinc/28/32/99/559283299.db2.gz OXNBKZICVJWNEK-UHFFFAOYSA-N 1 0 364.453 2.417 20 30 FEEDRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)c1cn(CCCC#N)c2ccccc12 ZINC000416299203 559303714 /nfs/dbraw/zinc/30/37/14/559303714.db2.gz CNWHXRBAJGYOJA-IAGOWNOFSA-N 1 0 368.481 2.472 20 30 FEEDRO CC(C)C[C@H](C[NH3+])NC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000417583959 559367952 /nfs/dbraw/zinc/36/79/52/559367952.db2.gz XEZVFQZSOAQVTB-HZPDHXFCSA-N 1 0 361.465 2.339 20 30 FEEDRO C[C@@H]1CN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)CC[C@@H]1[NH3+] ZINC000417584795 559368022 /nfs/dbraw/zinc/36/80/22/559368022.db2.gz YQBWNOKKYLSCLN-UNEWFSDZSA-N 1 0 359.449 2.045 20 30 FEEDRO C=C(C)COCCNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000417890745 559380825 /nfs/dbraw/zinc/38/08/25/559380825.db2.gz OUZXRJVBZZIYOG-RHSMWYFYSA-N 1 0 353.413 2.302 20 30 FEEDRO C=CCC[C@H](CO)NC(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000418576017 559406950 /nfs/dbraw/zinc/40/69/50/559406950.db2.gz XFUNBZGCMSYRMR-KEYYUXOJSA-N 1 0 353.413 2.037 20 30 FEEDRO C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)N(CC[NH3+])Cc1ccccc1 ZINC000419059889 559426685 /nfs/dbraw/zinc/42/66/85/559426685.db2.gz SBWIZTIRMBGUMH-FQEVSTJZSA-N 1 0 365.477 2.278 20 30 FEEDRO C=C(C)[C@@H](NC(=O)C(=O)N[C@@H](C[NH3+])CC(C)C)c1ccc(F)c(F)c1 ZINC000419678998 559453524 /nfs/dbraw/zinc/45/35/24/559453524.db2.gz OXCPNLSJNAOJQP-CZUORRHYSA-N 1 0 353.413 2.188 20 30 FEEDRO C=C(C)[C@H](NC(=O)C(=O)NCC([NH3+])(CC)CC)c1ccc(F)c(F)c1 ZINC000419681584 559453804 /nfs/dbraw/zinc/45/38/04/559453804.db2.gz RZSULCQJERMMCU-HNNXBMFYSA-N 1 0 353.413 2.332 20 30 FEEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000419854028 559462391 /nfs/dbraw/zinc/46/23/91/559462391.db2.gz FUOCTTZQUSFUJG-LBPRGKRZSA-N 1 0 355.891 2.032 20 30 FEEDRO C=CCC[C@@H]1NC(=O)N(CCCN2CC[NH+](Cc3ccccc3)CC2)C1=O ZINC000419923128 559464786 /nfs/dbraw/zinc/46/47/86/559464786.db2.gz KYOWWWHCOXLAKB-IBGZPJMESA-N 1 0 370.497 2.081 20 30 FEEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N[C@@H](C[NH3+])CC(C)C ZINC000419964924 559466696 /nfs/dbraw/zinc/46/66/96/559466696.db2.gz WMLJFOKNIMFHMY-GFCCVEGCSA-N 1 0 357.907 2.406 20 30 FEEDRO C=CCOC[C@H]1NC(=O)N(C[C@H](c2ccc(SC)cc2)[NH+](C)C)C1=O ZINC000419966488 559466871 /nfs/dbraw/zinc/46/68/71/559466871.db2.gz LJPGRCVZYMFOII-HZPDHXFCSA-N 1 0 363.483 2.134 20 30 FEEDRO C=CCN(Cc1ccccc1F)C(=O)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000419980919 559467612 /nfs/dbraw/zinc/46/76/12/559467612.db2.gz SNBVBNMRSVHDEO-SFHVURJKSA-N 1 0 361.461 2.364 20 30 FEEDRO C=CC1CCN(C(=O)C(=O)N[C@H](C[NH3+])c2ccc3ccccc3c2)CC1 ZINC000420067867 559470894 /nfs/dbraw/zinc/47/08/94/559470894.db2.gz YNJSMJIPSPDJTC-LJQANCHMSA-N 1 0 351.450 2.380 20 30 FEEDRO C[C@H]1CCN(S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)C[C@@H]1C[NH3+] ZINC000420482690 559489842 /nfs/dbraw/zinc/48/98/42/559489842.db2.gz URLLMUXYLZUDFC-JQWIXIFHSA-N 1 0 361.389 2.182 20 30 FEEDRO C[C@H]1C[C@H](CO)C[N@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC000420943020 559513354 /nfs/dbraw/zinc/51/33/54/559513354.db2.gz PKMHLGJVAWUPJP-HOCLYGCPSA-N 1 0 368.399 2.123 20 30 FEEDRO CCOC(=O)c1c(NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(C#N)cn1CC ZINC000421180862 559529402 /nfs/dbraw/zinc/52/94/02/559529402.db2.gz GSKQPZRIZDJAKV-GOOCMWNKSA-N 1 0 373.457 2.303 20 30 FEEDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)Nc1ccccc1SCCC#N ZINC000421303390 559537472 /nfs/dbraw/zinc/53/74/72/559537472.db2.gz SAMOJOSPRDDSML-AWEZNQCLSA-N 1 0 360.483 2.183 20 30 FEEDRO N#Cc1ccc(C[NH2+]CCCN2C(=O)NC3(CCCCC3)C2=O)cc1F ZINC000421337402 559539583 /nfs/dbraw/zinc/53/95/83/559539583.db2.gz YYZSGDZXNTYBJR-UHFFFAOYSA-N 1 0 358.417 2.432 20 30 FEEDRO CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)C(=O)NCC(C)(C)CC#N ZINC000422396018 559584856 /nfs/dbraw/zinc/58/48/56/559584856.db2.gz HWWPPJBESXRTMJ-GOSISDBHSA-N 1 0 372.513 2.315 20 30 FEEDRO C[C@H](NC(=O)C(=O)NCC(C)(C)CC#N)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000422432650 559587939 /nfs/dbraw/zinc/58/79/39/559587939.db2.gz XMHKEXRLVPDTLO-FUHWJXTLSA-N 1 0 370.497 2.069 20 30 FEEDRO C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC000422533839 559593396 /nfs/dbraw/zinc/59/33/96/559593396.db2.gz YDICEMPNFIGICM-XLIONFOSSA-N 1 0 371.525 2.479 20 30 FEEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000423024143 559615537 /nfs/dbraw/zinc/61/55/37/559615537.db2.gz LBQWOQWZVRDKGK-YPMHNXCESA-N 1 0 355.891 2.112 20 30 FEEDRO C=CCN(Cc1ccccc1)C(=O)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000423120895 559619953 /nfs/dbraw/zinc/61/99/53/559619953.db2.gz HTLPOUDYBDFCJY-UHFFFAOYSA-N 1 0 355.482 2.192 20 30 FEEDRO C=CCN(Cc1ccccc1)C(=O)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000423120172 559619992 /nfs/dbraw/zinc/61/99/92/559619992.db2.gz FUHMMMRSZLCOLR-LJQANCHMSA-N 1 0 355.482 2.192 20 30 FEEDRO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000424019276 559651252 /nfs/dbraw/zinc/65/12/52/559651252.db2.gz JUVZPLBYESRIKA-ZDUSSCGKSA-N 1 0 358.360 2.460 20 30 FEEDRO CCCS(=O)(=O)Nc1cc(NC(=O)[C@@H]([NH3+])CCCC#N)c(F)cc1F ZINC000424112044 559655255 /nfs/dbraw/zinc/65/52/55/559655255.db2.gz ICLPVOLROSXIQD-LBPRGKRZSA-N 1 0 374.413 2.076 20 30 FEEDRO C=CCn1c([C@H]2CCCS2)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000424117629 559655303 /nfs/dbraw/zinc/65/53/03/559655303.db2.gz BOMCWPCURYNFNR-HZPDHXFCSA-N 1 0 363.531 2.191 20 30 FEEDRO COC(=O)[C@H](CNC(=O)[C@H]([NH3+])CCCC#N)Cc1ccc2ccccc2c1 ZINC000424121943 559655413 /nfs/dbraw/zinc/65/54/13/559655413.db2.gz IQLRWRQEXUPHQR-RBUKOAKNSA-N 1 0 367.449 2.309 20 30 FEEDRO C[C@H](CNC(=O)[C@H]([NH3+])CCCC#N)Oc1cccc(Br)c1 ZINC000424124615 559655474 /nfs/dbraw/zinc/65/54/74/559655474.db2.gz MMWIENWHXCGVLG-BXUZGUMPSA-N 1 0 354.248 2.354 20 30 FEEDRO COc1ccc(Cl)cc1N1CC[C@H](NC(=O)[C@@H]([NH3+])CCCC#N)C1 ZINC000424151037 559656269 /nfs/dbraw/zinc/65/62/69/559656269.db2.gz GZODLJXHRDPETK-KBPBESRZSA-N 1 0 350.850 2.065 20 30 FEEDRO C=CCCn1cc(C(=O)Nc2ccccc2N2CC[NH+](CC)CC2)nn1 ZINC000424559526 559669391 /nfs/dbraw/zinc/66/93/91/559669391.db2.gz KQFXMKWNAMXGQZ-UHFFFAOYSA-N 1 0 354.458 2.248 20 30 FEEDRO C[C@@H](CC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)n1cccn1 ZINC000424566431 559669512 /nfs/dbraw/zinc/66/95/12/559669512.db2.gz PWIUZNQPFFIQCU-KRWDZBQOSA-N 1 0 351.454 2.440 20 30 FEEDRO C=CCC1(C(=O)NCc2ccc(CN3CC[NH+](C)CC3)cc2)CCOCC1 ZINC000424591034 559670460 /nfs/dbraw/zinc/67/04/60/559670460.db2.gz MVSOJRHQWXNLGK-UHFFFAOYSA-N 1 0 371.525 2.423 20 30 FEEDRO COCC[N@H+](C)CCOc1cccc(CNC(=O)N[C@@H]2CC[C@H](C#N)C2)c1 ZINC000425445608 559702618 /nfs/dbraw/zinc/70/26/18/559702618.db2.gz OBDGTIHULLKVRC-FUHWJXTLSA-N 1 0 374.485 2.135 20 30 FEEDRO C=CCn1cc(CNC(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)nn1 ZINC000425567400 559710081 /nfs/dbraw/zinc/71/00/81/559710081.db2.gz SJSXUDJXARFZRW-WMLDXEAASA-N 1 0 374.514 2.408 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(C)[C@H](C)c2cccc(C#N)c2)CC1 ZINC000425875889 559723697 /nfs/dbraw/zinc/72/36/97/559723697.db2.gz FONVYFLTNGZCEG-MRXNPFEDSA-N 1 0 368.481 2.234 20 30 FEEDRO C=CCn1cc(CNC(=O)N(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)nn1 ZINC000425883636 559723824 /nfs/dbraw/zinc/72/38/24/559723824.db2.gz VUCLEEUWSQXMRA-IBGZPJMESA-N 1 0 368.485 2.270 20 30 FEEDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)N(C)[C@H](C)c2cccc(C#N)c2)C1 ZINC000425886180 559724027 /nfs/dbraw/zinc/72/40/27/559724027.db2.gz PWMLZQNOXNQJJV-SJLPKXTDSA-N 1 0 370.497 2.314 20 30 FEEDRO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000425908511 559724944 /nfs/dbraw/zinc/72/49/44/559724944.db2.gz IFZLTQPFHYAGNY-HNAYVOBHSA-N 1 0 368.481 2.211 20 30 FEEDRO Cc1cnc(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)c(O)c1 ZINC000428046113 559768538 /nfs/dbraw/zinc/76/85/38/559768538.db2.gz DFHKFYAHUOGYQX-UHFFFAOYSA-N 1 0 350.422 2.384 20 30 FEEDRO C[NH+]1CCN(Cc2ccc(CNC(=O)c3cscc3C#N)cc2)CC1 ZINC000432704962 559863224 /nfs/dbraw/zinc/86/32/24/559863224.db2.gz FBRAZOPPUDCUNH-UHFFFAOYSA-N 1 0 354.479 2.297 20 30 FEEDRO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCC(CO)(c2ccccc2)CC1 ZINC000433062622 559871044 /nfs/dbraw/zinc/87/10/44/559871044.db2.gz UQBHVWWBIBZGIE-PXNSSMCTSA-N 1 0 357.498 2.455 20 30 FEEDRO N#CC1(NC(=O)c2cnn3ncccc23)CC[NH+](Cc2ccccc2)CC1 ZINC000434252075 559896358 /nfs/dbraw/zinc/89/63/58/559896358.db2.gz YSNZGXKGIJCCGH-UHFFFAOYSA-N 1 0 360.421 2.017 20 30 FEEDRO N#Cc1ccc(CS(=O)(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)c(F)c1 ZINC000434778284 559909164 /nfs/dbraw/zinc/90/91/64/559909164.db2.gz WIBRXKZPRKKTQD-MRXNPFEDSA-N 1 0 351.447 2.134 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)NCCC[N@@H+]2CCc3ccccc3C2)s1 ZINC000435442446 559923153 /nfs/dbraw/zinc/92/31/53/559923153.db2.gz INCOKTWUVCPRNE-UHFFFAOYSA-N 1 0 361.492 2.346 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NC1CC[NH+](CCOC(C)C)CC1 ZINC000437986897 559972638 /nfs/dbraw/zinc/97/26/38/559972638.db2.gz NTEOJTYOGDJWKO-AEFFLSMTSA-N 1 0 353.507 2.156 20 30 FEEDRO CSCCC[N@H+](C)CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 ZINC000439472619 559994775 /nfs/dbraw/zinc/99/47/75/559994775.db2.gz SPJOSLDIIABLGS-OAHLLOKOSA-N 1 0 366.556 2.142 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1C[C@H](COC)O[C@@H](C)C1)C(C)C ZINC000439699985 559999091 /nfs/dbraw/zinc/99/90/91/559999091.db2.gz QVIVCHADKQWOFM-RCCFBDPRSA-N 1 0 353.507 2.130 20 30 FEEDRO C=CCc1ccccc1OC[C@@H](O)C[NH2+][C@@]1(CO)CCOc2ccccc21 ZINC000440481796 560011881 /nfs/dbraw/zinc/01/18/81/560011881.db2.gz BYSYUFAPYKILGH-PGRDOPGGSA-N 1 0 369.461 2.415 20 30 FEEDRO CCN1C[C@H](C)N(C(=O)C(=O)Nc2ccc(OC(C)C)c(C#N)c2)C[C@H]1C ZINC000441088754 560023431 /nfs/dbraw/zinc/02/34/31/560023431.db2.gz QSAHWHCEUDEPIS-CABCVRRESA-N 1 0 372.469 2.225 20 30 FEEDRO C[NH+](C)CC1CCC(NC(=O)C(=O)Nc2ccc(C#N)cc2Cl)CC1 ZINC000441776242 560038930 /nfs/dbraw/zinc/03/89/30/560038930.db2.gz NAYQJAOPYKAROC-UHFFFAOYSA-N 1 0 362.861 2.387 20 30 FEEDRO CC(C)NC(=O)c1cnn2c1C[C@H](C[NH2+]Cc1cc(C#N)cs1)CC2 ZINC000442998322 560065578 /nfs/dbraw/zinc/06/55/78/560065578.db2.gz IUKCSOULCGYJOW-CYBMUJFWSA-N 1 0 357.483 2.307 20 30 FEEDRO C[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)CC[N@@H+]1C ZINC000443239198 560075889 /nfs/dbraw/zinc/07/58/89/560075889.db2.gz HKLYADHHOZZTHT-MFKMUULPSA-N 1 0 361.389 2.338 20 30 FEEDRO N#Cc1ccc(C(=O)NC2CC[NH+](CCOc3ccc(F)cc3)CC2)cn1 ZINC000443320092 560079729 /nfs/dbraw/zinc/07/97/29/560079729.db2.gz LULWKYBNAIIANX-UHFFFAOYSA-N 1 0 368.412 2.366 20 30 FEEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)C[C@@H]1C ZINC000443353915 560081694 /nfs/dbraw/zinc/08/16/94/560081694.db2.gz DMQWHWFMEGWQQW-SWLSCSKDSA-N 1 0 362.861 2.481 20 30 FEEDRO C[C@H]1C[C@H](NS(=O)(=O)c2cc(Br)cc(C#N)c2)CC[N@@H+]1C ZINC000443468402 560084623 /nfs/dbraw/zinc/08/46/23/560084623.db2.gz OCNIYGBAYGSSFN-GXFFZTMASA-N 1 0 372.288 2.082 20 30 FEEDRO Cc1cc(S(=O)(=O)NCC2CCN(c3cc[nH+]cc3)CC2)ccc1C#N ZINC000443892046 560095539 /nfs/dbraw/zinc/09/55/39/560095539.db2.gz PKHJLQUCXGYAEU-UHFFFAOYSA-N 1 0 370.478 2.457 20 30 FEEDRO Cc1cc(S(=O)(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)ccc1C#N ZINC000443944915 560096805 /nfs/dbraw/zinc/09/68/05/560096805.db2.gz IRKXZDKGNFHEDV-GOSISDBHSA-N 1 0 357.479 2.318 20 30 FEEDRO C[NH+](C)CCc1ccccc1N[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1=O ZINC000445485397 560132567 /nfs/dbraw/zinc/13/25/67/560132567.db2.gz YDBGOEONJSKSIR-IBGZPJMESA-N 1 0 362.433 2.406 20 30 FEEDRO CN(Cc1cccc(C#N)c1)C(=O)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000445616020 560133173 /nfs/dbraw/zinc/13/31/73/560133173.db2.gz MAQXQZFNOVKAPW-UHFFFAOYSA-N 1 0 364.449 2.259 20 30 FEEDRO COCC[C@@]1([NH2+]CC(=O)N(CCC#N)c2cccc(Cl)c2)CCOC1 ZINC000447402661 560161592 /nfs/dbraw/zinc/16/15/92/560161592.db2.gz LKHVKLSJPGIDMV-GOSISDBHSA-N 1 0 365.861 2.372 20 30 FEEDRO C=CC[C@H]1N(C(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)CCCC1(C)C ZINC000447424466 560161880 /nfs/dbraw/zinc/16/18/80/560161880.db2.gz WLJRHPSRCIZWQY-MRXNPFEDSA-N 1 0 367.453 2.799 20 30 FEEDRO CC[C@H]([NH2+]CCc1ccc(OC)c(S(N)(=O)=O)c1)c1ccc(C#N)cc1 ZINC000447587062 560164934 /nfs/dbraw/zinc/16/49/34/560164934.db2.gz OHCZRDJXXDUULD-KRWDZBQOSA-N 1 0 373.478 2.498 20 30 FEEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH2+][C@H](CO)[C@H]2CCCO2)c1 ZINC000447915468 560172926 /nfs/dbraw/zinc/17/29/26/560172926.db2.gz RQHLZCJKIJCUNH-QXAKKESOSA-N 1 0 359.470 2.068 20 30 FEEDRO COc1ccccc1[C@@H](CNC(=O)c1ccc(C#N)n1C)[NH+]1CCCC1 ZINC000448583309 560191291 /nfs/dbraw/zinc/19/12/91/560191291.db2.gz RRIDTPDVEVBSDH-GOSISDBHSA-N 1 0 352.438 2.472 20 30 FEEDRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)c2cc(C#N)[nH]c2C)CC1 ZINC000448694743 560194677 /nfs/dbraw/zinc/19/46/77/560194677.db2.gz PPZLNYXOBBLQDY-UHFFFAOYSA-N 1 0 365.481 2.262 20 30 FEEDRO Cn1c(C#N)ccc1C(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000448943542 560208251 /nfs/dbraw/zinc/20/82/51/560208251.db2.gz XJYPWQRLMFQOFM-UHFFFAOYSA-N 1 0 358.486 2.440 20 30 FEEDRO Cc1[nH]c(C#N)cc1C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000448983392 560210188 /nfs/dbraw/zinc/21/01/88/560210188.db2.gz NKFIPIFRUQPJDX-UHFFFAOYSA-N 1 0 352.438 2.082 20 30 FEEDRO CCOC(=O)[C@@H]1C[N@H+](Cc2cccc(OCCCC#N)c2)CC12COC2 ZINC000449367537 560227485 /nfs/dbraw/zinc/22/74/85/560227485.db2.gz WYDHJTSHDMZOKP-SFHVURJKSA-N 1 0 358.438 2.381 20 30 FEEDRO N#Cc1ccc(CNc2cc(N3CCOCC3)c(Br)c[nH+]2)o1 ZINC000449768689 560239601 /nfs/dbraw/zinc/23/96/01/560239601.db2.gz SUBPHZKBVIJMPT-UHFFFAOYSA-N 1 0 363.215 2.757 20 30 FEEDRO C[NH+](C)C1CCN(C(=O)COc2cccc(Br)c2C#N)CC1 ZINC000449805015 560240547 /nfs/dbraw/zinc/24/05/47/560240547.db2.gz UPXYDUBHRWBKJO-UHFFFAOYSA-N 1 0 366.259 2.252 20 30 FEEDRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(c2cccc(C#N)c2[N+](=O)[O-])CC1 ZINC000450294966 560257384 /nfs/dbraw/zinc/25/73/84/560257384.db2.gz TYICMQATVNWLFA-HZPDHXFCSA-N 1 0 357.458 2.461 20 30 FEEDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)COc1ccc(C#N)c(Br)c1 ZINC000450346688 560259312 /nfs/dbraw/zinc/25/93/12/560259312.db2.gz FPFQZWZHMHQFSB-NWDGAFQWSA-N 1 0 366.259 2.251 20 30 FEEDRO C[C@H]1C[N@H+](CCCNc2ncc(Br)cc2C#N)CCCO1 ZINC000450488036 560263856 /nfs/dbraw/zinc/26/38/56/560263856.db2.gz ODLIORHXDDUWMJ-LBPRGKRZSA-N 1 0 353.264 2.629 20 30 FEEDRO C[C@H]1[C@H](NC(=O)COc2ccc(C#N)c(Br)c2)CCC[N@@H+]1C ZINC000450545996 560265630 /nfs/dbraw/zinc/26/56/30/560265630.db2.gz CVVLIVMEWCGXTG-XHDPSFHLSA-N 1 0 366.259 2.298 20 30 FEEDRO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CC[C@@H](Oc2cccnc2N(C)C)C1 ZINC000451026985 560283030 /nfs/dbraw/zinc/28/30/30/560283030.db2.gz MCDGWSMRSFJSOE-IAGOWNOFSA-N 1 0 360.502 2.414 20 30 FEEDRO CC[C@H]1[C@@H](CO)CC[N@@H+]1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000451253354 560296052 /nfs/dbraw/zinc/29/60/52/560296052.db2.gz JNWGCEWMFDTREN-WBVHZDCISA-N 1 0 368.399 2.266 20 30 FEEDRO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1C[C@H](O)C[C@H]1[C@@H]1CCCOC1 ZINC000451301509 560298949 /nfs/dbraw/zinc/29/89/49/560298949.db2.gz NOMHEESBUBHNOB-WTGUMLROSA-N 1 0 361.482 2.017 20 30 FEEDRO CC(C)OCCOC1CC[NH+](C[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC000451951091 560340332 /nfs/dbraw/zinc/34/03/32/560340332.db2.gz CBXGQIXOMSLUQR-GOSISDBHSA-N 1 0 362.470 2.204 20 30 FEEDRO C[N@H+](C[C@H](O)COc1ccc(C#N)cc1)C1CCN(CC(F)(F)F)CC1 ZINC000452033379 560346794 /nfs/dbraw/zinc/34/67/94/560346794.db2.gz CDWXEXZKCMZGAE-INIZCTEOSA-N 1 0 371.403 2.256 20 30 FEEDRO C=CCn1c([C@@H]2CCCO2)nnc1N1CC[N@H+](CCOC)[C@@H](CCC)C1 ZINC000453425642 560386411 /nfs/dbraw/zinc/38/64/11/560386411.db2.gz NQEFGUHVLCCGKU-IRXDYDNUSA-N 1 0 363.506 2.253 20 30 FEEDRO C[NH+](C)C1(CNC(=O)C(=O)Nc2cccc(CC#N)c2)CCCCCC1 ZINC000453579304 560389392 /nfs/dbraw/zinc/38/93/92/560389392.db2.gz JGKZVYXIVRIRDR-UHFFFAOYSA-N 1 0 356.470 2.462 20 30 FEEDRO CC[NH+](CC)CCNC(=O)C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 ZINC000453644753 560392986 /nfs/dbraw/zinc/39/29/86/560392986.db2.gz NNCBVVRGFTWJES-UHFFFAOYSA-N 1 0 360.458 2.132 20 30 FEEDRO Cc1ccc([C@H](CNC(=O)C(=O)Nc2cccc(CC#N)c2)[NH+](C)C)cc1 ZINC000453646551 560393099 /nfs/dbraw/zinc/39/30/99/560393099.db2.gz ZNZDHPRYCUPCTD-IBGZPJMESA-N 1 0 364.449 2.419 20 30 FEEDRO N#CCc1cccc(NC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000453675740 560395717 /nfs/dbraw/zinc/39/57/17/560395717.db2.gz SEIKUMWNQOKZEL-QFBILLFUSA-N 1 0 366.465 2.166 20 30 FEEDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)Nc2ccc(CC#N)cc2Cl)C1 ZINC000453712753 560398824 /nfs/dbraw/zinc/39/88/24/560398824.db2.gz HQPBWTACEXNGOZ-YOEHRIQHSA-N 1 0 374.872 2.287 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1NC(=O)C(=O)Nc1cccc(CC[N@@H+](C)C2CC2)c1 ZINC000453933886 560414392 /nfs/dbraw/zinc/41/43/92/560414392.db2.gz BFTUSHNFBCQNNY-MOPGFXCFSA-N 1 0 371.481 2.112 20 30 FEEDRO C[C@@H]1CN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)C[C@H](C)[N@H+]1C ZINC000454487497 560446493 /nfs/dbraw/zinc/44/64/93/560446493.db2.gz LTLJWFARURYUFZ-HLLBOEOZSA-N 1 0 373.476 2.400 20 30 FEEDRO C[N@H+](CCCCNC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1)C1CC1 ZINC000455616033 560489352 /nfs/dbraw/zinc/48/93/52/560489352.db2.gz OTHQUAHWCROQOW-UHFFFAOYSA-N 1 0 369.513 2.260 20 30 FEEDRO N#CCc1ccc(NC(=O)NC[C@@H]2CCCC[N@H+]2CCO)c(Cl)c1 ZINC000455735237 560493263 /nfs/dbraw/zinc/49/32/63/560493263.db2.gz QEVAYKKBMRQOFJ-AWEZNQCLSA-N 1 0 350.850 2.374 20 30 FEEDRO CC(C)[C@H](CNC(=O)Nc1cnc(C#N)c(Cl)c1)[NH+]1CCN(C)CC1 ZINC000455762208 560494251 /nfs/dbraw/zinc/49/42/51/560494251.db2.gz YPXGCBJXZKOVLV-INIZCTEOSA-N 1 0 364.881 2.000 20 30 FEEDRO CC(C)(Cc1ccc(C#N)cc1)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000455885002 560499032 /nfs/dbraw/zinc/49/90/32/560499032.db2.gz WYEWOXWPMCOUQE-LJQANCHMSA-N 1 0 355.482 2.308 20 30 FEEDRO Cc1cc(C#N)cc(NC(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)c1 ZINC000455949288 560501657 /nfs/dbraw/zinc/50/16/57/560501657.db2.gz CSOZTDJXVLFCOF-VQIMIIECSA-N 1 0 355.486 2.356 20 30 FEEDRO COc1ccc([C@@H](CNC(=O)N(C)CC(C)(C)C#N)[NH+](C)C)cc1OC ZINC000457442989 560567220 /nfs/dbraw/zinc/56/72/20/560567220.db2.gz DNBROFYPIKGNSX-OAHLLOKOSA-N 1 0 362.474 2.498 20 30 FEEDRO CC(C)(CC#N)CNC(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000457466292 560568387 /nfs/dbraw/zinc/56/83/87/560568387.db2.gz XMEBZTFFBPPHIM-UHFFFAOYSA-N 1 0 357.502 2.043 20 30 FEEDRO CC(C)(CC#N)CNC(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000458663973 560639254 /nfs/dbraw/zinc/63/92/54/560639254.db2.gz VBGOQRXXOPDHKG-GOSISDBHSA-N 1 0 358.486 2.382 20 30 FEEDRO Cn1cc(Cl)c(CNC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)n1 ZINC000458993185 560660943 /nfs/dbraw/zinc/66/09/43/560660943.db2.gz VFDQIVMCPSSGJF-UHFFFAOYSA-N 1 0 374.876 2.219 20 30 FEEDRO COC(=O)[C@@H]1C[N@@H+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)C[C@@H]1c1ccccc1 ZINC000459556844 560694058 /nfs/dbraw/zinc/69/40/58/560694058.db2.gz ZTRWFCKVDWWGOY-NWUWZPLHSA-N 1 0 371.481 2.318 20 30 FEEDRO CC(C)(C)OC(=O)[C@]1(C)CC[N@H+](C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000459585152 560696145 /nfs/dbraw/zinc/69/61/45/560696145.db2.gz OUGWQIQOQJXVAU-OXJNMPFZSA-N 1 0 360.454 2.352 20 30 FEEDRO C=CCN1C(=O)c2ccc(C(=O)NCCC3CC[NH+](CC)CC3)cc2C1=O ZINC000461209528 560764172 /nfs/dbraw/zinc/76/41/72/560764172.db2.gz BFRQGSOKTZNTLP-UHFFFAOYSA-N 1 0 369.465 2.320 20 30 FEEDRO C[N@H+](CCOc1cccc(CNC(=O)CCCC#N)c1)C1CCOCC1 ZINC000462039686 560793861 /nfs/dbraw/zinc/79/38/61/560793861.db2.gz JYWZUXHXKMGDPG-UHFFFAOYSA-N 1 0 359.470 2.486 20 30 FEEDRO C[C@H](C(=O)NC[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1)c1cccc(C#N)c1 ZINC000462270432 560803744 /nfs/dbraw/zinc/80/37/44/560803744.db2.gz NSDKBQBDODGHMZ-DQLDELGASA-N 1 0 363.461 2.413 20 30 FEEDRO COc1cc(CNC(=O)N(CC[NH+](C)C)Cc2ccccn2)ccc1C#N ZINC000462470530 560811399 /nfs/dbraw/zinc/81/13/99/560811399.db2.gz CUIBKLOIGBICFH-UHFFFAOYSA-N 1 0 367.453 2.235 20 30 FEEDRO COc1cc(C#N)ccc1S(=O)(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000464407231 560840834 /nfs/dbraw/zinc/84/08/34/560840834.db2.gz PMDYCJULGKKIMH-KBPBESRZSA-N 1 0 351.472 2.108 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@H]1CCCCC[C@H]1C(N)=O)C(C)C ZINC000466221442 560882115 /nfs/dbraw/zinc/88/21/15/560882115.db2.gz DWSWJHWRBLCQLG-FGTMMUONSA-N 1 0 364.534 2.418 20 30 FEEDRO COc1cc(C#N)ccc1OCCCC(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000467022458 560901765 /nfs/dbraw/zinc/90/17/65/560901765.db2.gz IOSAOSGOWRJFBK-YOEHRIQHSA-N 1 0 357.454 2.325 20 30 FEEDRO CCOC(=O)C1CCN(C(=O)C[C@H](C)[NH2+]CCc2cccc(C#N)c2)CC1 ZINC000467447845 560910208 /nfs/dbraw/zinc/91/02/08/560910208.db2.gz JGZDOWCJGCKWJI-INIZCTEOSA-N 1 0 371.481 2.271 20 30 FEEDRO CCOCCC[N@@H+]1CC[C@H](N[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)[C@@H](C)C1 ZINC000469769201 560963979 /nfs/dbraw/zinc/96/39/79/560963979.db2.gz NSPROWLZRREBCG-DMUMMCEESA-N 1 0 366.550 2.156 20 30 FEEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000470170411 560975990 /nfs/dbraw/zinc/97/59/90/560975990.db2.gz UMZVTXIHFNKFKC-GOSISDBHSA-N 1 0 357.502 2.479 20 30 FEEDRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)[C@H](C#N)Cc2ccc(C#N)cc2)C1 ZINC000470971640 560995561 /nfs/dbraw/zinc/99/55/61/560995561.db2.gz XVHMYLVVQCXGMW-PMACEKPBSA-N 1 0 368.481 2.200 20 30 FEEDRO N#Cc1ccnc(N2CCC([NH2+]CCOc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000471049841 560997098 /nfs/dbraw/zinc/99/70/98/560997098.db2.gz DUPYFWMZDPNYEB-UHFFFAOYSA-N 1 0 367.409 2.499 20 30 FEEDRO CC[NH+](CC)CCNC(=O)C(=O)Nc1ccccc1C#Cc1ccccc1 ZINC000473340870 561047897 /nfs/dbraw/zinc/04/78/97/561047897.db2.gz SSHZOBUILXYYQV-UHFFFAOYSA-N 1 0 363.461 2.483 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1C[C@H](C)O[C@]2(CCOC2)C1)C(C)C ZINC000474062684 561064814 /nfs/dbraw/zinc/06/48/14/561064814.db2.gz WPYGBEIOVNULDY-NLWGTHIKSA-N 1 0 365.518 2.274 20 30 FEEDRO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)CNC(=O)c1ccc(C#N)cc1 ZINC000474473640 561075022 /nfs/dbraw/zinc/07/50/22/561075022.db2.gz FMIIXGYKXJXTHH-RBUKOAKNSA-N 1 0 370.497 2.305 20 30 FEEDRO C=CCCC1(C(=O)Nc2cccc(S(=O)(=O)NCC[NH+](C)C)c2)CC1 ZINC000476676045 561125779 /nfs/dbraw/zinc/12/57/79/561125779.db2.gz RUMFWUNXMYQRKH-UHFFFAOYSA-N 1 0 365.499 2.211 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N[C@@H]2CC[NH2+]C23CCC3)cc1C(F)(F)F ZINC000528050485 562312523 /nfs/dbraw/zinc/31/25/23/562312523.db2.gz COHZVFUQPVMRHQ-CYBMUJFWSA-N 1 0 359.373 2.140 20 30 FEEDRO CN(C(=O)Cc1ccc(C#N)nc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000528328399 562322724 /nfs/dbraw/zinc/32/27/24/562322724.db2.gz SDZRJUCLPQJYHX-UHFFFAOYSA-N 1 0 363.465 2.056 20 30 FEEDRO CCC[NH+]1CCC(N(C)CC#CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000528398457 562326885 /nfs/dbraw/zinc/32/68/85/562326885.db2.gz TWQHIOAAZBCRBV-UHFFFAOYSA-N 1 0 353.466 2.092 20 30 FEEDRO C[C@@H]1[N@H+](CC#CCN2C(=O)c3ccccc3C2=O)CCC12CCOCC2 ZINC000528447184 562329860 /nfs/dbraw/zinc/32/98/60/562329860.db2.gz XGURWPKLEUYNQV-INIZCTEOSA-N 1 0 352.434 2.177 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)NC[C@@H]2CC[N@@H+]2C2CCCCC2)cc1F ZINC000528480468 562331618 /nfs/dbraw/zinc/33/16/18/562331618.db2.gz ZXMSLWSSORACOC-HNNXBMFYSA-N 1 0 351.447 2.383 20 30 FEEDRO N#Cc1cccc(NC(=O)CC[N@H+]2CC3(CCOCC3)CC[C@@H]2CO)c1 ZINC000528643524 562340090 /nfs/dbraw/zinc/34/00/90/562340090.db2.gz ZFLJWZBRRKVVJE-GOSISDBHSA-N 1 0 357.454 2.140 20 30 FEEDRO C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000529912109 562391139 /nfs/dbraw/zinc/39/11/39/562391139.db2.gz HRSCDGGWYRJNPL-INIZCTEOSA-N 1 0 357.454 2.039 20 30 FEEDRO N#Cc1ccccc1OC[C@@H](O)C[NH2+][C@@H]1CCN(c2c(F)cccc2F)C1 ZINC000530231561 562403135 /nfs/dbraw/zinc/40/31/35/562403135.db2.gz KJMDESFJQDJOMK-CVEARBPZSA-N 1 0 373.403 2.445 20 30 FEEDRO N#Cc1ccccc1OC[C@H](O)C[NH2+][C@@H]1CCO[C@H](c2ccncc2)C1 ZINC000530233099 562403310 /nfs/dbraw/zinc/40/33/10/562403310.db2.gz HKNQTDAWBJWPNL-GGPKGHCWSA-N 1 0 353.422 2.203 20 30 FEEDRO C=CCN(C(=O)NC1CC[NH+](C)CC1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000531244207 562439337 /nfs/dbraw/zinc/43/93/37/562439337.db2.gz GRCFIUNNOIZVMV-OAHLLOKOSA-N 1 0 369.473 2.015 20 30 FEEDRO CC1CC(C#N)(C(=O)Nc2ccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)cc2)C1 ZINC000531808005 562457303 /nfs/dbraw/zinc/45/73/03/562457303.db2.gz HOEJJUUSACGCAV-CZDRUDQFSA-N 1 0 354.454 2.262 20 30 FEEDRO CO[C@H](C)C[N@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)C(C)C ZINC000532970477 562494222 /nfs/dbraw/zinc/49/42/22/562494222.db2.gz MXUOROFFVQGRSE-OAHLLOKOSA-N 1 0 355.442 2.428 20 30 FEEDRO C=CCOc1ccc(C[N@@H+]2CCN(c3nccn4cnnc34)[C@@H](C)C2)cc1 ZINC000535822497 562568910 /nfs/dbraw/zinc/56/89/10/562568910.db2.gz HSOWJWHKGQNEST-INIZCTEOSA-N 1 0 364.453 2.400 20 30 FEEDRO C[NH+](C)[C@H](CNS(=O)(=O)Cc1ccc(C#N)cc1)Cc1ccccc1 ZINC000536012213 562571681 /nfs/dbraw/zinc/57/16/81/562571681.db2.gz FQUIXWMUOWOQNO-IBGZPJMESA-N 1 0 357.479 2.151 20 30 FEEDRO C[NH+](C)[C@@H](CNS(=O)(=O)Cc1ccc(C#N)cc1)Cc1ccccc1 ZINC000536012214 562571729 /nfs/dbraw/zinc/57/17/29/562571729.db2.gz FQUIXWMUOWOQNO-LJQANCHMSA-N 1 0 357.479 2.151 20 30 FEEDRO N#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)s1 ZINC000536434017 562575456 /nfs/dbraw/zinc/57/54/56/562575456.db2.gz UNPPWLCGCGNVIW-WBVHZDCISA-N 1 0 355.463 2.233 20 30 FEEDRO COC(=O)C[C@@H]([NH2+]CC(=O)NCc1cccc(C#N)c1)C1CCCCC1 ZINC000541602870 562616299 /nfs/dbraw/zinc/61/62/99/562616299.db2.gz ZGBZWIJDWWVKOT-GOSISDBHSA-N 1 0 357.454 2.276 20 30 FEEDRO COc1ccc(S(=O)(=O)N2CC([NH2+]C3CCC(C)(C#N)CC3)C2)cc1 ZINC000556149408 674389987 /nfs/dbraw/zinc/38/99/87/674389987.db2.gz WUQVWZRXVPFUNQ-UHFFFAOYSA-N 1 0 363.483 2.130 20 30 FEEDRO N#Cc1ccc(N2CCC[C@@H](NC(=O)NCCC[NH+]3CCCC3)C2)c(F)c1 ZINC000609470655 567843355 /nfs/dbraw/zinc/84/33/55/567843355.db2.gz XCUABSYVBJTYBG-QGZVFWFLSA-N 1 0 373.476 2.451 20 30 FEEDRO Cc1ccc(NC(=O)C(=O)N(C)[C@@H]2CCC[C@@H]2C#N)c(OCC[NH+](C)C)c1 ZINC000602072561 567916325 /nfs/dbraw/zinc/91/63/25/567916325.db2.gz DECBKXUKNOADON-NVXWUHKLSA-N 1 0 372.469 2.025 20 30 FEEDRO C[NH+](C)CCn1c2cc(C(=O)NCC(C)(C)CCC#N)ccc2[nH]c1=O ZINC000602154868 567943989 /nfs/dbraw/zinc/94/39/89/567943989.db2.gz MQOOHXCIHYNARW-UHFFFAOYSA-N 1 0 357.458 2.363 20 30 FEEDRO CN(C(=O)c1ccc2[nH]c(=O)n(CC[NH+](C)C)c2c1)[C@@H]1CCC[C@@H]1C#N ZINC000602196604 567950172 /nfs/dbraw/zinc/95/01/72/567950172.db2.gz PKUOOPYTGLFMAG-GDBMZVCRSA-N 1 0 355.442 2.068 20 30 FEEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]Cc1cccc(CS(C)(=O)=O)c1 ZINC000602531640 567988380 /nfs/dbraw/zinc/98/83/80/567988380.db2.gz WBBZXZYIFDTASK-OAHLLOKOSA-N 1 0 350.484 2.420 20 30 FEEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H](O)COc1ccc(F)c(F)c1 ZINC000602538946 567992707 /nfs/dbraw/zinc/99/27/07/567992707.db2.gz FZCCDPVRFUNSSL-ZIAGYGMSSA-N 1 0 354.397 2.393 20 30 FEEDRO N#CC1CCC([NH2+]C[C@@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)CC1 ZINC000602575143 567996580 /nfs/dbraw/zinc/99/65/80/567996580.db2.gz BYAMSFQNGQNKHM-DXBWTPJFSA-N 1 0 352.482 2.257 20 30 FEEDRO C[C@@H]1C[NH+](C[C@H](O)CO[C@H]2CCCc3ccccc32)C[C@@H](C)N1CC#N ZINC000602858159 568002924 /nfs/dbraw/zinc/00/29/24/568002924.db2.gz ZPWLDUGLZZRQQO-REHHDOPLSA-N 1 0 357.498 2.360 20 30 FEEDRO N#CC1(C[C@H](O)C[N@@H+]2CC[C@@H](c3ccc4cccnc4n3)C2)CCOCC1 ZINC000602882019 568004669 /nfs/dbraw/zinc/00/46/69/568004669.db2.gz IRNKZSADTPSTSQ-MSOLQXFVSA-N 1 0 366.465 2.490 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@](C)(CO)Cc2ccc(F)cc2)CC1 ZINC000636742103 568005376 /nfs/dbraw/zinc/00/53/76/568005376.db2.gz JVTJDLRYKCSXFM-HXUWFJFHSA-N 1 0 363.477 2.459 20 30 FEEDRO N#CCCN(C(=O)C[NH2+][C@@H]([C@H]1CCCO1)C1(CO)CCC1)c1ccccc1 ZINC000602894581 568013818 /nfs/dbraw/zinc/01/38/18/568013818.db2.gz XXQGLQXGEQSDLE-QUCCMNQESA-N 1 0 371.481 2.233 20 30 FEEDRO C=CCC[C@H](O)C[NH+]1CCC(n2nnc(C(=O)OCC)c2C(F)F)CC1 ZINC000602969014 568026305 /nfs/dbraw/zinc/02/63/05/568026305.db2.gz XBBWDCLGDPNWAX-ZDUSSCGKSA-N 1 0 372.416 2.356 20 30 FEEDRO CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)N1CCCN(c2cc[nH+]cc2)CC1 ZINC000603083931 568058929 /nfs/dbraw/zinc/05/89/29/568058929.db2.gz PMVFGXUWCQAMQS-FQEVSTJZSA-N 1 0 372.469 2.382 20 30 FEEDRO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)n1cc(C[C@@H]2CC[NH2+]C2)nn1 ZINC000603192826 568072259 /nfs/dbraw/zinc/07/22/59/568072259.db2.gz ARUPEALOMCKHBO-CABCVRRESA-N 1 0 370.432 2.077 20 30 FEEDRO N#CC1(c2ccc(C[NH2+][C@H]3CCCN(CCN4CCOCC4)C3)cc2)CC1 ZINC000603427339 568096671 /nfs/dbraw/zinc/09/66/71/568096671.db2.gz GELQHCQXKRFXSZ-NRFANRHFSA-N 1 0 368.525 2.128 20 30 FEEDRO C[NH+](C)CCN(CCC(=O)Nc1sccc1C#N)Cc1ccccn1 ZINC000568645047 568106865 /nfs/dbraw/zinc/10/68/65/568106865.db2.gz XNTPVHQOGQYDNA-UHFFFAOYSA-N 1 0 357.483 2.407 20 30 FEEDRO COc1cccc(CN(CC[NH+](C)C)Cc2cnc3c(C#N)cnn3c2)c1 ZINC000568865899 568238678 /nfs/dbraw/zinc/23/86/78/568238678.db2.gz ABWNTXWFTDSMTJ-UHFFFAOYSA-N 1 0 364.453 2.173 20 30 FEEDRO N#Cc1ccc(CNC(=O)NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)s1 ZINC000569592049 568408703 /nfs/dbraw/zinc/40/87/03/568408703.db2.gz ORGICRKSQIWSSV-IBGZPJMESA-N 1 0 370.478 2.056 20 30 FEEDRO C[C@H](Cc1ccc(Br)c(F)c1)[NH2+]CCn1cnc(C#N)n1 ZINC000556919055 674427965 /nfs/dbraw/zinc/42/79/65/674427965.db2.gz CMLLLGUNHSQIQU-SNVBAGLBSA-N 1 0 352.211 2.272 20 30 FEEDRO C[C@@H]([NH2+][C@H](C)c1cccc(C#N)c1)C(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000820414264 599390246 /nfs/dbraw/zinc/39/02/46/599390246.db2.gz XFJBDYZAAZHPPM-CHWSQXEVSA-N 1 0 361.409 2.416 20 30 FEEDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000557853558 674471400 /nfs/dbraw/zinc/47/14/00/674471400.db2.gz AKWDAKMMWSOZJA-MLGOLLRUSA-N 1 0 353.875 2.459 20 30 FEEDRO C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC000819743585 599698198 /nfs/dbraw/zinc/69/81/98/599698198.db2.gz MPSUARAUNCDBFR-HUUCEWRRSA-N 1 0 354.458 2.254 20 30 FEEDRO CCOC(=O)C1CCC([N@H+](CC)CC(=O)N[C@@](C)(C#N)C(C)C)CC1 ZINC000558747547 674514494 /nfs/dbraw/zinc/51/44/94/674514494.db2.gz ITYKAMMSPIMVDV-RJYAGPCLSA-N 1 0 351.491 2.485 20 30 FEEDRO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCC[C@@H](CNC(=O)C(F)(F)F)C1 ZINC000810070657 674529421 /nfs/dbraw/zinc/52/94/21/674529421.db2.gz RQZJAVLZAGBMFH-KBPBESRZSA-N 1 0 363.424 2.190 20 30 FEEDRO COc1ccc(C#N)cc1C[N@@H+]1CCC[C@@H](CNC(=O)C(F)(F)F)C1 ZINC000810070991 674529477 /nfs/dbraw/zinc/52/94/77/674529477.db2.gz UZRNLAVHBQVDCN-ZDUSSCGKSA-N 1 0 355.360 2.457 20 30 FEEDRO Cc1ccc(-c2nn[nH]n2)c(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000822215130 607226823 /nfs/dbraw/zinc/22/68/23/607226823.db2.gz MQFUGIFHWGMJJR-UHFFFAOYSA-N 1 0 374.452 2.154 20 30 FEEDRO CC[N@H+](CCC(=O)N(C)CCC#N)[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000825419139 608088485 /nfs/dbraw/zinc/08/84/85/608088485.db2.gz IHBSCNWLTVOCDY-AWEZNQCLSA-N 1 0 355.446 2.012 20 30 FEEDRO C[C@H]([NH2+]CC(=O)Nc1sccc1-c1nn[nH]n1)c1cccc(C#N)c1 ZINC000824564909 608488220 /nfs/dbraw/zinc/48/82/20/608488220.db2.gz YGRJFPVTWZXOBO-JTQLQIEISA-N 1 0 353.411 2.089 20 30 FEEDRO Cc1nn(-c2ccccc2)c(C[NH+]2CCC(CC#N)CC2)c1-c1nn[nH]n1 ZINC000826331888 609428435 /nfs/dbraw/zinc/42/84/35/609428435.db2.gz BTBTYIWHJFXBMY-UHFFFAOYSA-N 1 0 362.441 2.487 20 30 FEEDRO N#CC1(NC(=O)C[NH2+][C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)CCC1 ZINC000561347825 674658816 /nfs/dbraw/zinc/65/88/16/674658816.db2.gz JNXJZKYYJJPGRB-ZBFHGGJFSA-N 1 0 351.809 2.461 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1NC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000562589247 674773194 /nfs/dbraw/zinc/77/31/94/674773194.db2.gz WJKMWWFXECLUGX-WCXIOVBPSA-N 1 0 351.397 2.353 20 30 FEEDRO CC(C)(O)C[NH+]1CCC(=NNC(=S)NCc2ccc(F)cc2)CC1 ZINC000814217468 674827095 /nfs/dbraw/zinc/82/70/95/674827095.db2.gz ILOQQAKJCKIBMR-UHFFFAOYSA-N 1 0 352.479 2.013 20 30 FEEDRO C#CCNC(=O)CC[NH2+][C@@H]1CCN(CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000815112519 674920783 /nfs/dbraw/zinc/92/07/83/674920783.db2.gz TYGGLKBODGDNMV-SJLPKXTDSA-N 1 0 351.853 2.344 20 30 FEEDRO N#CCc1ccc(OC[C@@H](O)C[NH2+]CCOc2ccc(Cl)cn2)cc1 ZINC000563806528 674941234 /nfs/dbraw/zinc/94/12/34/674941234.db2.gz ZEZFOYRKKZLZNY-INIZCTEOSA-N 1 0 361.829 2.209 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)[C@H]1C[N@H+](CCC(C)(C)C)C[C@@H]1O ZINC001047557233 674960266 /nfs/dbraw/zinc/96/02/66/674960266.db2.gz KAKZEWBPKLUELS-XSLAGTTESA-N 1 0 352.519 2.297 20 30 FEEDRO CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)CCN1c1nc(Cl)c(C#N)s1 ZINC001048587162 675011379 /nfs/dbraw/zinc/01/13/79/675011379.db2.gz KBEIVBYIBIWRRA-QJPTWQEYSA-N 1 0 367.906 2.236 20 30 FEEDRO CC(C)(C)OC(=O)NCC(=O)N1CCC[C@@H](C[NH2+]CCCCC#N)C1 ZINC000816548927 675064288 /nfs/dbraw/zinc/06/42/88/675064288.db2.gz XSUFZCUJSFYQHZ-HNNXBMFYSA-N 1 0 352.479 2.033 20 30 FEEDRO CC[C@H](CC#N)[NH2+]C[C@H]1CCCN(C(=O)CNC(=O)OC(C)(C)C)C1 ZINC000816570589 675065741 /nfs/dbraw/zinc/06/57/41/675065741.db2.gz ZLVWIJSFSZAKER-HUUCEWRRSA-N 1 0 352.479 2.032 20 30 FEEDRO C[C@H]([NH3+])[C@H]1CCCN(S(=O)(=O)c2cccc(Br)c2C#N)C1 ZINC000564959421 675081878 /nfs/dbraw/zinc/08/18/78/675081878.db2.gz WOZLVKWKAGUTAS-QWRGUYRKSA-N 1 0 372.288 2.069 20 30 FEEDRO C[NH+](C)[C@@H](CNC(=O)NCCNc1ncccc1C#N)c1ccsc1 ZINC000046346788 670221395 /nfs/dbraw/zinc/22/13/95/670221395.db2.gz FZLNSSHCPBQAMX-HNNXBMFYSA-N 1 0 358.471 2.029 20 30 FEEDRO N#Cc1ccc(C[NH2+]C2CCN(S(=O)(=O)C(F)(F)F)CC2)cc1F ZINC000817408969 675129974 /nfs/dbraw/zinc/12/99/74/675129974.db2.gz UKRPLWNORCWOIP-UHFFFAOYSA-N 1 0 365.352 2.101 20 30 FEEDRO N#CCC[C@@H](C#N)C[NH2+]CC1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000570709726 670757087 /nfs/dbraw/zinc/75/70/87/670757087.db2.gz OWKXUFKNXRTDOB-KRWDZBQOSA-N 1 0 360.483 2.120 20 30 FEEDRO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000106867883 670815216 /nfs/dbraw/zinc/81/52/16/670815216.db2.gz SWIFFXQZWQORQG-GLJUWKHASA-N 1 0 352.479 2.028 20 30 FEEDRO C[NH+]=C(NCCn1cccn1)N(C)Cc1ccccc1Br ZINC000114082043 670889482 /nfs/dbraw/zinc/88/94/82/670889482.db2.gz PIFRRDBYTVWQGG-UHFFFAOYSA-N 1 0 350.264 2.353 20 30 FEEDRO N#CC1(CS(=O)(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)CCC1 ZINC000571568032 670894026 /nfs/dbraw/zinc/89/40/26/670894026.db2.gz DHVIZPAYHSBVIT-AWEZNQCLSA-N 1 0 353.513 2.498 20 30 FEEDRO CC[S@](=O)[C@@H]1CCC[C@@H]([NH2+]C[C@H](O)COc2ccc(CC#N)cc2)C1 ZINC000571790317 670925793 /nfs/dbraw/zinc/92/57/93/670925793.db2.gz IZAVLVJDONNWJK-HQSBFWBVSA-N 1 0 364.511 2.162 20 30 FEEDRO N#Cc1ccc(C[NH2+]CCCN2CCC[C@@H]2C(N)=O)c(C(F)(F)F)c1 ZINC000572171065 670969830 /nfs/dbraw/zinc/96/98/30/670969830.db2.gz WPIZANHVCMPXMA-OAHLLOKOSA-N 1 0 354.376 2.006 20 30 FEEDRO N#Cc1ccccc1CSCCNC(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000573223537 671097109 /nfs/dbraw/zinc/09/71/09/671097109.db2.gz DFTTUCXONYSMFF-KBAYOESNSA-N 1 0 358.511 2.479 20 30 FEEDRO CCS(=O)(=O)NC1CC[NH+](Cc2cccc(OCCCC#N)c2)CC1 ZINC000566036274 675175034 /nfs/dbraw/zinc/17/50/34/675175034.db2.gz ACWMNTWLHQTDNC-UHFFFAOYSA-N 1 0 365.499 2.273 20 30 FEEDRO Cc1cn2c(n1)[C@H](C[NH2+]CCS(=O)(=O)c1cccc(C#N)c1)CCC2 ZINC000566114167 675182256 /nfs/dbraw/zinc/18/22/56/675182256.db2.gz BKVQJIYWVGXQMW-INIZCTEOSA-N 1 0 358.467 2.004 20 30 FEEDRO C[C@@H]1CN(c2cc(Br)c(C#N)cc2F)[C@@H](C)C[N@@H+]1CCO ZINC000574770946 671275757 /nfs/dbraw/zinc/27/57/57/671275757.db2.gz NCCTUZSVHDNRPE-MNOVXSKESA-N 1 0 356.239 2.351 20 30 FEEDRO CN(Cc1cccc(NC(=O)[C@@H]([NH3+])CCCC#N)c1)C(=O)C(F)(F)F ZINC000818075675 675194493 /nfs/dbraw/zinc/19/44/93/675194493.db2.gz ZEPWIUPWLTUUCW-ZDUSSCGKSA-N 1 0 356.348 2.167 20 30 FEEDRO Cc1nc(NCC2(N3CCOCC3)CC[NH+](C)CC2)c(Cl)cc1C#N ZINC000578302412 671655254 /nfs/dbraw/zinc/65/52/54/671655254.db2.gz VJCMSXCNFLVMSC-UHFFFAOYSA-N 1 0 363.893 2.124 20 30 FEEDRO CC[S@](=O)[C@@H]1CCC[C@@H]([NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000578350565 671658910 /nfs/dbraw/zinc/65/89/10/671658910.db2.gz QJICDPSPXVSRAY-LNPFQXMTSA-N 1 0 368.524 2.001 20 30 FEEDRO C[N@H+](CCc1ccccc1)[C@H]1CCN(S(=O)(=O)CC2(C#N)CCC2)C1 ZINC000580466666 671810007 /nfs/dbraw/zinc/81/00/07/671810007.db2.gz IGQGGBDDDYKOHF-SFHVURJKSA-N 1 0 361.511 2.259 20 30 FEEDRO N#Cc1ccc(OC[C@H](O)C[NH2+][C@@H]2CCOC3(CCSCC3)C2)cc1 ZINC000580543547 671816815 /nfs/dbraw/zinc/81/68/15/671816815.db2.gz HUUZDDKKVFZWFO-IAGOWNOFSA-N 1 0 362.495 2.332 20 30 FEEDRO CC[NH+](CC)CC#C[C@@H](C)OC(=O)c1ccc(C)c(S(C)(=O)=O)c1 ZINC000121702159 671955470 /nfs/dbraw/zinc/95/54/70/671955470.db2.gz ATKXPTZNVATHFV-OAHLLOKOSA-N 1 0 351.468 2.289 20 30 FEEDRO N#Cc1cc(Cl)ccc1S(=O)(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000610259641 675961467 /nfs/dbraw/zinc/96/14/67/675961467.db2.gz DCRJIFHNQHKRJA-UHFFFAOYSA-N 1 0 362.842 2.118 20 30 FEEDRO C[NH+](C)[C@H](CNC(=O)NC1CCN(CC#N)CC1)c1ccc(Cl)cc1 ZINC000610460599 675973216 /nfs/dbraw/zinc/97/32/16/675973216.db2.gz LWLYXOBHIHGXLV-QGZVFWFLSA-N 1 0 363.893 2.230 20 30 FEEDRO Cc1cn2c(n1)[C@@H](C[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)CCC2 ZINC000583747794 672122870 /nfs/dbraw/zinc/12/28/70/672122870.db2.gz DSBYUHBKFWVWTD-MRXNPFEDSA-N 1 0 358.467 2.004 20 30 FEEDRO CC(C)CN(CC(F)(F)F)C(=O)CON=C(N)C[N@@H+]1CCCC[C@@H]1C ZINC000151533968 672164693 /nfs/dbraw/zinc/16/46/93/672164693.db2.gz NJCBXKWQJSCRPL-ZDUSSCGKSA-N 1 0 366.428 2.197 20 30 FEEDRO CS(=O)(=O)CCCCON=C(N)c1ccccc1C[NH+]1CCCCC1 ZINC000153426714 672198335 /nfs/dbraw/zinc/19/83/35/672198335.db2.gz CITVMEPUKWPNON-UHFFFAOYSA-N 1 0 367.515 2.134 20 30 FEEDRO CC[NH+]=C(NC[C@H]1CCc2ccccc21)N1CCS(=O)(=O)C(C)(C)C1 ZINC000158609293 672271247 /nfs/dbraw/zinc/27/12/47/672271247.db2.gz HWEJLXAADSBJJR-MRXNPFEDSA-N 1 0 363.527 2.191 20 30 FEEDRO C#CCOc1ccc(C[NH2+]CCNS(=O)(=O)c2ccc(C)s2)cc1 ZINC000159031216 672276391 /nfs/dbraw/zinc/27/63/91/672276391.db2.gz NUDOLELGSCAJMQ-UHFFFAOYSA-N 1 0 364.492 2.137 20 30 FEEDRO C[NH+]=C(NCc1nnc(-c2ccc(Br)cc2)[nH]1)N1CCCC1 ZINC000171412580 672332229 /nfs/dbraw/zinc/33/22/29/672332229.db2.gz HQHMFFNJIYSSOQ-UHFFFAOYSA-N 1 0 363.263 2.405 20 30 FEEDRO C[C@H]1[C@H]([NH+](C)C)CCN1S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000590588221 672592817 /nfs/dbraw/zinc/59/28/17/672592817.db2.gz DTRASINMQZMXOY-IINYFYTJSA-N 1 0 372.288 2.034 20 30 FEEDRO C=CCn1c(C2CC2)nn(CN2CC[N@H+](CC(C)(C)O)[C@H](C)C2)c1=S ZINC000188962244 672603980 /nfs/dbraw/zinc/60/39/80/672603980.db2.gz BFINMNOZQHSSLG-CQSZACIVSA-N 1 0 365.547 2.212 20 30 FEEDRO N#Cc1cc(Cl)c(C(=O)NC[C@H]2CCCC[N@H+]2CCO)c(Cl)c1 ZINC000590774377 672616580 /nfs/dbraw/zinc/61/65/80/672616580.db2.gz CSIPDOXGQJXOHM-GFCCVEGCSA-N 1 0 356.253 2.442 20 30 FEEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000591292095 672666796 /nfs/dbraw/zinc/66/67/96/672666796.db2.gz HCWFFQAUCCEXNM-KGLIPLIRSA-N 1 0 360.483 2.217 20 30 FEEDRO CN1Cc2ccccc2[C@@H]([NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000591757263 672708437 /nfs/dbraw/zinc/70/84/37/672708437.db2.gz GGLJPHOUBKWTER-IBGZPJMESA-N 1 0 355.463 2.108 20 30 FEEDRO CC(C)[C@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)CC[NH2+]1 ZINC000592380374 672794940 /nfs/dbraw/zinc/79/49/40/672794940.db2.gz UBCDKUCGVAYVQB-CQSZACIVSA-N 1 0 361.389 2.196 20 30 FEEDRO CCCCn1c([C@H](CC)[NH+](C)C)nn(CN2CCO[C@H](C#N)C2)c1=S ZINC000247532119 672851543 /nfs/dbraw/zinc/85/15/43/672851543.db2.gz CCMCQOKBJCNBEZ-CABCVRRESA-N 1 0 366.535 2.409 20 30 FEEDRO N#Cc1csc(CN2CCO[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000593066078 672871120 /nfs/dbraw/zinc/87/11/20/672871120.db2.gz BIQVTUDUISJASM-ZWKOTPCHSA-N 1 0 354.479 2.490 20 30 FEEDRO CC/[NH+]=C(/N(C)C)N1CCN(C(=O)Cc2cccc(Cl)c2)[C@H](C)C1 ZINC000261687683 672901229 /nfs/dbraw/zinc/90/12/29/672901229.db2.gz DTZZIFOWUYMFBC-ITZAQCPESA-N 1 0 350.894 2.353 20 30 FEEDRO CCc1nsc(N2CCN(C(NCc3cccs3)=[NH+]C)CC2)n1 ZINC000261755637 672902589 /nfs/dbraw/zinc/90/25/89/672902589.db2.gz MJUFUTGECBOJNR-UHFFFAOYSA-N 1 0 350.517 2.060 20 30 FEEDRO C[NH+]=C(NC[C@](C)(O)c1cccs1)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000261745928 672902781 /nfs/dbraw/zinc/90/27/81/672902781.db2.gz MWHWBSACQSPEJU-DNMXQMFDSA-N 1 0 363.527 2.468 20 30 FEEDRO [NH2+]=C(NCCC(=O)Nc1ccc(Br)cc1)N1CCSCC1 ZINC000261983101 672907056 /nfs/dbraw/zinc/90/70/56/672907056.db2.gz ITAZOXUWZQRDRV-UHFFFAOYSA-N 1 0 371.304 2.141 20 30 FEEDRO C[C@@H]1CCCN(S(=O)(=O)c2ccc(CNC(=[NH2+])NC(C)(C)C)cc2)C1 ZINC000262007374 672907262 /nfs/dbraw/zinc/90/72/62/672907262.db2.gz SAGNTWKNKLILSM-CQSZACIVSA-N 1 0 366.531 2.310 20 30 FEEDRO C[NH+]=C(NCC1CCN(S(C)(=O)=O)CC1)NC1CCC(C(C)C)CC1 ZINC000262000309 672907551 /nfs/dbraw/zinc/90/75/51/672907551.db2.gz UDYDJJUTMARUAL-UHFFFAOYSA-N 1 0 372.579 2.038 20 30 FEEDRO C[NH+]=C(NCc1c(C)cc(C)cc1C)N1CCS(=O)(=O)C(C)(C)C1 ZINC000262020524 672908060 /nfs/dbraw/zinc/90/80/60/672908060.db2.gz YSDBDTCIEDPNFA-UHFFFAOYSA-N 1 0 351.516 2.196 20 30 FEEDRO N/C(=[NH+]/Cc1cn2ccsc2n1)N1CCN(c2ccc(F)cc2)CC1 ZINC000262282364 672912345 /nfs/dbraw/zinc/91/23/45/672912345.db2.gz LWZOSLXIPOXQLY-UHFFFAOYSA-N 1 0 358.446 2.172 20 30 FEEDRO CC(C)[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N1CC[C@@H](C)C2(CCC2)C1 ZINC000262343828 672913774 /nfs/dbraw/zinc/91/37/74/672913774.db2.gz CZQLVYVQKWPKDM-CVEARBPZSA-N 1 0 355.548 2.287 20 30 FEEDRO CC[C@@H](C)[NH+]=C(NCC(=O)N(C)C)N1CCc2c(F)cc(F)cc2C1 ZINC000262347584 672913918 /nfs/dbraw/zinc/91/39/18/672913918.db2.gz YHJLCCFPWCWTRX-GFCCVEGCSA-N 1 0 352.429 2.155 20 30 FEEDRO CCO[C@@H]1C[C@H](NC(=[NH+]C)N2CCC(C(=O)OC)CC2)C12CCCC2 ZINC000262367438 672914279 /nfs/dbraw/zinc/91/42/79/672914279.db2.gz HZXFIDCULKLLDR-JKSUJKDBSA-N 1 0 351.491 2.185 20 30 FEEDRO O=S1(=O)CC[C@H](CNC(=[NH+]C2CCCCC2)N2CC[C@@H](C3CC3)C2)C1 ZINC000262365731 672914417 /nfs/dbraw/zinc/91/44/17/672914417.db2.gz HPYFTDNOMCJSME-NVXWUHKLSA-N 1 0 367.559 2.431 20 30 FEEDRO C=CCNC(=[NH+]C[C@H]1CCS(=O)(=O)C1)N1CCC2(C1)CCCCC2 ZINC000262409218 672915066 /nfs/dbraw/zinc/91/50/66/672915066.db2.gz OZIOBOCTYSCQSH-MRXNPFEDSA-N 1 0 353.532 2.209 20 30 FEEDRO CN(C)[C@@]1(CNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)CCSC1 ZINC000262421794 672915542 /nfs/dbraw/zinc/91/55/42/672915542.db2.gz BGFZRBZTSFQVGM-QGZVFWFLSA-N 1 0 350.488 2.012 20 30 FEEDRO CS(=O)(=O)c1ccc(CNC(=[NH2+])N[C@H]2CCOc3ccccc32)s1 ZINC000262427037 672915614 /nfs/dbraw/zinc/91/56/14/672915614.db2.gz RSERRSBLRNMGMJ-ZDUSSCGKSA-N 1 0 365.480 2.080 20 30 FEEDRO [NH2+]=C(N[C@H]1C[C@H](c2ccc(F)c(Br)c2)C1)N1CCOCC1 ZINC000262428248 672915669 /nfs/dbraw/zinc/91/56/69/672915669.db2.gz NYUZPYZZCXLCLN-HAQNSBGRSA-N 1 0 356.239 2.481 20 30 FEEDRO C[C@@H](NC(NC[C@H]1CCS(=O)(=O)C1)=[NH+]C1CC1)c1ccc(F)cc1F ZINC000262447716 672915862 /nfs/dbraw/zinc/91/58/62/672915862.db2.gz VMCSKTMFWUMLBC-VXGBXAGGSA-N 1 0 371.453 2.158 20 30 FEEDRO [NH2+]=C(N[C@@H]1C[C@H]1c1cccc(Cl)c1)N1CCN(c2ncccn2)CC1 ZINC000262696281 672919532 /nfs/dbraw/zinc/91/95/32/672919532.db2.gz DUPOXWQKKNRAHE-JKSUJKDBSA-N 1 0 356.861 2.123 20 30 FEEDRO CC[NH+]=C(NCC1CCSCC1)N[C@@H]1CCC[C@H](C(=O)N(C)C)C1 ZINC000262823749 672921941 /nfs/dbraw/zinc/92/19/41/672921941.db2.gz XTASOZYJWVSMNC-JKSUJKDBSA-N 1 0 354.564 2.332 20 30 FEEDRO CC[NH+]=C(NC[C@@]1(N2CCOCC2)CCSC1)NC1CCCCC1 ZINC000263108249 672927913 /nfs/dbraw/zinc/92/79/13/672927913.db2.gz DDMDUAHJICMGMS-SFHVURJKSA-N 1 0 354.564 2.082 20 30 FEEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)S(=O)(=O)c1ccsc1C#N ZINC000593536258 672936681 /nfs/dbraw/zinc/93/66/81/672936681.db2.gz OZVPINDTTYSLRG-UHFFFAOYSA-N 1 0 374.491 2.244 20 30 FEEDRO N#Cc1ccc(N2CCN(C(=O)NCCC3(C[NH3+])CC3)CC2)c(Cl)c1 ZINC000593720162 672982699 /nfs/dbraw/zinc/98/26/99/672982699.db2.gz PYJSUNMWYOIGHH-UHFFFAOYSA-N 1 0 361.877 2.172 20 30 FEEDRO CC(C)(C#N)c1ccc(S(=O)(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000593728722 672983675 /nfs/dbraw/zinc/98/36/75/672983675.db2.gz AMVNAPKKHXXQKB-MRXNPFEDSA-N 1 0 361.511 2.498 20 30 FEEDRO CCOC(=O)CCCNC(=[NH2+])N1CCN(c2ccc(Cl)cc2)CC1 ZINC000303695098 673017087 /nfs/dbraw/zinc/01/70/87/673017087.db2.gz DIWJUPVLZPLIRN-UHFFFAOYSA-N 1 0 352.866 2.120 20 30 FEEDRO [NH2+]=C(NC[C@@H](O)COc1cccc(Cl)c1Cl)N1CCSCC1 ZINC000303893650 673018296 /nfs/dbraw/zinc/01/82/96/673018296.db2.gz SATCOUHCJOMFEG-SNVBAGLBSA-N 1 0 364.298 2.097 20 30 FEEDRO CC[C@H](C)NC(=O)CCNC(=[NH2+])N1CCN(c2ccc(Cl)cc2)CC1 ZINC000303881928 673018552 /nfs/dbraw/zinc/01/85/52/673018552.db2.gz LFHZHJPLZBTMPO-AWEZNQCLSA-N 1 0 365.909 2.082 20 30 FEEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000594069546 673028030 /nfs/dbraw/zinc/02/80/30/673028030.db2.gz DLEJIOMAFHGRTG-SOUVJXGZSA-N 1 0 360.483 2.221 20 30 FEEDRO CC[N@@H+]1CCC[C@H](NC(=O)c2cc(S(=O)(=O)NC3CC3)ccc2C)C1 ZINC000328911857 673069226 /nfs/dbraw/zinc/06/92/26/673069226.db2.gz ONCATYNBBMPLNY-HNNXBMFYSA-N 1 0 365.499 2.225 20 30 FEEDRO N#CCCCC[C@@H]([NH3+])C(=O)Nc1ccc(C(=O)NCC(F)(F)F)cc1 ZINC000594428168 673070808 /nfs/dbraw/zinc/07/08/08/673070808.db2.gz LOPGINGRQSWVKG-CYBMUJFWSA-N 1 0 356.348 2.328 20 30 FEEDRO O=C(CN1CCO[C@H](c2nccs2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000329002406 673071168 /nfs/dbraw/zinc/07/11/68/673071168.db2.gz LPBLHXHHPQYCBC-HNNXBMFYSA-N 1 0 350.488 2.100 20 30 FEEDRO N#CCCC[C@@H]([NH3+])C(=O)N1CCOc2cccc(Br)c2C1 ZINC000594452547 673074281 /nfs/dbraw/zinc/07/42/81/673074281.db2.gz OOTBGPOFDWLYBJ-CYBMUJFWSA-N 1 0 352.232 2.191 20 30 FEEDRO CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC000329482962 673078278 /nfs/dbraw/zinc/07/82/78/673078278.db2.gz QBTDFICYWBMQJN-HOCLYGCPSA-N 1 0 352.479 2.031 20 30 FEEDRO N#CCCCC[C@H]([NH3+])C(=O)NCCc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000594469633 673078824 /nfs/dbraw/zinc/07/88/24/673078824.db2.gz JBWAARKYMKEWEM-AWEZNQCLSA-N 1 0 360.849 2.195 20 30 FEEDRO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCCNC(=O)c1ccc(Cl)cc1 ZINC000329591469 673079747 /nfs/dbraw/zinc/07/97/47/673079747.db2.gz ZZDOOKSKKVYGEP-CJNGLKHVSA-N 1 0 364.877 2.152 20 30 FEEDRO CC[C@H](C)[C@H](NC(=O)N1CCCC1)C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000329750346 673082752 /nfs/dbraw/zinc/08/27/52/673082752.db2.gz IAUWVYOIHYYTLY-BBWFWOEESA-N 1 0 352.523 2.211 20 30 FEEDRO CC[C@@H](C)[C@H](NC(=O)N1CCCC1)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000329763146 673083043 /nfs/dbraw/zinc/08/30/43/673083043.db2.gz UDSDBRFNSMEQNF-WBVHZDCISA-N 1 0 350.507 2.108 20 30 FEEDRO C=CCOC[C@@H]1NC(=O)N(C[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)C1=O ZINC000348579703 673115822 /nfs/dbraw/zinc/11/58/22/673115822.db2.gz YEODMAVQLAZBGQ-IJEWVQPXSA-N 1 0 363.483 2.254 20 30 FEEDRO N#CC1(c2ccc(C[NH2+][C@H]3CCO[C@@]4(CCS(=O)(=O)C4)C3)cc2)CC1 ZINC000594935462 673178956 /nfs/dbraw/zinc/17/89/56/673178956.db2.gz PPERRUORDWQXMV-HKUYNNGSSA-N 1 0 360.479 2.068 20 30 FEEDRO CS(=O)(=O)CC1(CC[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)CC1 ZINC000594948843 673180106 /nfs/dbraw/zinc/18/01/06/673180106.db2.gz AQZCUCMDSMHTPL-UHFFFAOYSA-N 1 0 361.511 2.332 20 30 FEEDRO Cc1ccc(C#N)cc1S(=O)(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000595120217 673197257 /nfs/dbraw/zinc/19/72/57/673197257.db2.gz RYSOXQLAXMUUFM-QZTJIDSGSA-N 1 0 355.463 2.291 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)NCCC#N ZINC000426434584 673209944 /nfs/dbraw/zinc/20/99/44/673209944.db2.gz YYFXJNZYGWJJDY-UHFFFAOYSA-N 1 0 353.264 2.436 20 30 FEEDRO C[C@@H](CC#N)N(C)S(=O)(=O)N1CCC2(CCC([NH+](C)C)CC2)CC1 ZINC000595346665 673228924 /nfs/dbraw/zinc/22/89/24/673228924.db2.gz HGSZOILOIXJIAD-HNNXBMFYSA-N 1 0 356.536 2.052 20 30 FEEDRO CCC[N@@H+]1CC[C@H](NS(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)C1 ZINC000595357486 673232180 /nfs/dbraw/zinc/23/21/80/673232180.db2.gz ZVAFITXHAAEPBE-LBPRGKRZSA-N 1 0 361.389 2.340 20 30 FEEDRO C#CCOc1ccc(Br)cc1C[NH2+]CCN1CCO[C@@H](C)C1 ZINC000729682820 673243465 /nfs/dbraw/zinc/24/34/65/673243465.db2.gz AQIYXTRHMQQJNI-AWEZNQCLSA-N 1 0 367.287 2.271 20 30 FEEDRO N#Cc1sccc1N1CCN(C(=O)c2cc3c(s2)CC[NH2+]C3)CC1 ZINC000595938037 673342055 /nfs/dbraw/zinc/34/20/55/673342055.db2.gz JXDUIOBFIBLOBL-UHFFFAOYSA-N 1 0 358.492 2.289 20 30 FEEDRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)NCc1ccc(C#N)c(Cl)c1 ZINC000596596071 673396527 /nfs/dbraw/zinc/39/65/27/673396527.db2.gz ZOBSIAWPBXFJDI-AWEZNQCLSA-N 1 0 365.909 2.283 20 30 FEEDRO C=CCCSCCNC(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000596717648 673406982 /nfs/dbraw/zinc/40/69/82/673406982.db2.gz NXICCRFRDPDLDM-KRWDZBQOSA-N 1 0 354.564 2.106 20 30 FEEDRO C[C@@H]1CCC[C@@H]([NH+]2CCC(N=Nc3ccc(S(N)(=O)=O)cn3)CC2)C1 ZINC000733744392 673436589 /nfs/dbraw/zinc/43/65/89/673436589.db2.gz HWARQIVQGMMPCA-UKRRQHHQSA-N 1 0 365.503 2.171 20 30 FEEDRO C[C@H]1CCC[C@@H]([NH+]2CCC(N=Nc3ccc(S(N)(=O)=O)cn3)CC2)C1 ZINC000733744387 673436613 /nfs/dbraw/zinc/43/66/13/673436613.db2.gz HWARQIVQGMMPCA-DZGCQCFKSA-N 1 0 365.503 2.171 20 30 FEEDRO C=CCC[C@H](CC)[NH2+][C@H](C)C(=O)Nc1cccc(S(=O)(=O)NC)c1 ZINC000539075869 673472876 /nfs/dbraw/zinc/47/28/76/673472876.db2.gz LWMBZPDTQVJNKI-KGLIPLIRSA-N 1 0 353.488 2.256 20 30 FEEDRO CCN(C(=O)COc1cccc(Br)c1C#N)[C@@H]1CC[N@H+](C)C1 ZINC000597947211 673522549 /nfs/dbraw/zinc/52/25/49/673522549.db2.gz VSCRRRSEXKYLRR-GFCCVEGCSA-N 1 0 366.259 2.252 20 30 FEEDRO COCCCOCC[N@H+](C)[C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000540245479 673531053 /nfs/dbraw/zinc/53/10/53/673531053.db2.gz VNVYXPOOXPHZDZ-HFCFLWKCSA-N 1 0 353.507 2.291 20 30 FEEDRO C=CCCOCCCCC(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000540515898 673544762 /nfs/dbraw/zinc/54/47/62/673544762.db2.gz IKVQORWBAVTNHP-OALUTQOASA-N 1 0 351.535 2.234 20 30 FEEDRO COc1ccc(CC[NH2+][C@@H](C)c2cccc(C#N)c2)cc1S(N)(=O)=O ZINC000540607865 673549087 /nfs/dbraw/zinc/54/90/87/673549087.db2.gz XEFLCKBVXCSRLW-ZDUSSCGKSA-N 1 0 359.451 2.108 20 30 FEEDRO CCC[N@@H+]1CC[C@H](NC(=O)COc2cccc(Br)c2C#N)C1 ZINC000598341836 673561531 /nfs/dbraw/zinc/56/15/31/673561531.db2.gz GUAJIIXNFBBVPS-LBPRGKRZSA-N 1 0 366.259 2.300 20 30 FEEDRO C[NH+](C)C[C@H]1COC2(CCCC2)CN1C(=O)c1ncc(C#N)cc1Cl ZINC000598536598 673580114 /nfs/dbraw/zinc/58/01/14/673580114.db2.gz UADRVMALRHTLJQ-AWEZNQCLSA-N 1 0 362.861 2.322 20 30 FEEDRO C[C@H]([NH2+]C[C@@H](O)CC1(C#N)CCOCC1)[C@H]1OCCc2sccc21 ZINC000599426720 673674543 /nfs/dbraw/zinc/67/45/43/673674543.db2.gz OBGQRGOCVLKGPN-GRDNDAEWSA-N 1 0 350.484 2.411 20 30 FEEDRO N#Cc1ccc(CC(=O)NCC2([NH+]3CCSCC3)CCCCC2)cn1 ZINC000599455447 673677456 /nfs/dbraw/zinc/67/74/56/673677456.db2.gz OTDWSUVIVRHRBR-UHFFFAOYSA-N 1 0 358.511 2.364 20 30 FEEDRO C[C@@H](COc1ccc(F)cc1F)[NH2+]C[C@H](O)CC1(C#N)CCOCC1 ZINC000600720780 673794229 /nfs/dbraw/zinc/79/42/29/673794229.db2.gz QMCHDMPEUQTGQO-DZGCQCFKSA-N 1 0 354.397 2.393 20 30 FEEDRO N#CC1(C[C@@H](O)C[NH2+]C[C@@H](O)COc2cccc(C(F)(F)F)c2)CC1 ZINC000600745503 673796029 /nfs/dbraw/zinc/79/60/29/673796029.db2.gz RHYFBRVWXKRJTN-ZIAGYGMSSA-N 1 0 358.360 2.089 20 30 FEEDRO CC(C)(C#N)C[C@H](O)C[NH2+]C[C@H]1CN(c2ccc(Cl)cc2)CCO1 ZINC000600752218 673796533 /nfs/dbraw/zinc/79/65/33/673796533.db2.gz CKRIJRKYHVLQHC-IRXDYDNUSA-N 1 0 351.878 2.436 20 30 FEEDRO C[NH+]1CCN(c2cccc(-c3noc(-c4ccc(C#N)s4)n3)n2)CC1 ZINC000546545288 673802600 /nfs/dbraw/zinc/80/26/00/673802600.db2.gz HXNZFKMEQLCGSQ-UHFFFAOYSA-N 1 0 352.423 2.484 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)S(=O)(=O)CCOC(C)(C)C ZINC000601308218 673840979 /nfs/dbraw/zinc/84/09/79/673840979.db2.gz NIIJOOLOVLKLIV-UHFFFAOYSA-N 1 0 367.515 2.067 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2CCC[C@@H]3C[NH2+]CC[C@@H]32)cc1C(F)(F)F ZINC000601351699 673846564 /nfs/dbraw/zinc/84/65/64/673846564.db2.gz MJXFMMUPZBHVQM-DOMZBBRYSA-N 1 0 373.400 2.340 20 30 FEEDRO COC[C@](C)(CO)[NH2+]CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 ZINC000602931712 673913970 /nfs/dbraw/zinc/91/39/70/673913970.db2.gz JRPYYVWHUVODFF-SGTLLEGYSA-N 1 0 365.499 2.060 20 30 FEEDRO C[NH+](C)[C@H](CNc1ccc(C#N)cc1CS(N)(=O)=O)c1ccsc1 ZINC000603271312 673920602 /nfs/dbraw/zinc/92/06/02/673920602.db2.gz MLRJLOXLUXTUFT-MRXNPFEDSA-N 1 0 364.496 2.123 20 30 FEEDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)Nc1ccc(C#N)cc1CS(N)(=O)=O ZINC000603279556 673921373 /nfs/dbraw/zinc/92/13/73/673921373.db2.gz FOYSPVGKIPSMNP-RBSFLKMASA-N 1 0 364.515 2.125 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)c1ccc(I)c(F)c1 ZINC000818589332 675226519 /nfs/dbraw/zinc/22/65/19/675226519.db2.gz WYWFQUZQGSJYFR-UHFFFAOYSA-N 1 0 374.197 2.115 20 30 FEEDRO C#CCNC(=O)CC[NH2+]C[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000818974240 675248594 /nfs/dbraw/zinc/24/85/94/675248594.db2.gz IOUWZBQYDQHICX-AWEZNQCLSA-N 1 0 364.287 2.005 20 30 FEEDRO CC[NH+](CC)CCCNS(=O)(=O)c1cc(Br)ccc1C#N ZINC000566964228 675256443 /nfs/dbraw/zinc/25/64/43/675256443.db2.gz YMLMMFHQCCPOSI-UHFFFAOYSA-N 1 0 374.304 2.331 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2CCCC[C@H]2CC[NH3+])cc1Br ZINC000566973699 675257439 /nfs/dbraw/zinc/25/74/39/675257439.db2.gz NWOXJGZCRJLAGQ-LBPRGKRZSA-N 1 0 372.288 2.213 20 30 FEEDRO CC(C)(O)c1ccc(C[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)cc1 ZINC000819241261 675273435 /nfs/dbraw/zinc/27/34/35/675273435.db2.gz MNZMXIOQMMOSJX-UHFFFAOYSA-N 1 0 358.463 2.349 20 30 FEEDRO C#CC[C@H](Cc1ccccc1)[NH2+]C[C@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000819304347 675279119 /nfs/dbraw/zinc/27/91/19/675279119.db2.gz FPORQJNPGFELPR-QUCCMNQESA-N 1 0 357.475 2.348 20 30 FEEDRO C[C@@H]1C[C@H](NC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000819314266 675280302 /nfs/dbraw/zinc/28/03/02/675280302.db2.gz WGNBEOFYNLCFAT-RBSFLKMASA-N 1 0 352.479 2.172 20 30 FEEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+]C[C@H](CCO)c2ccccc2)c1 ZINC000567588736 675304428 /nfs/dbraw/zinc/30/44/28/675304428.db2.gz HZOFHQZSUVKMEX-SFHVURJKSA-N 1 0 358.463 2.088 20 30 FEEDRO COC(=O)c1ccc(Br)c(N=NC2CC[NH+](CCO)CC2)c1 ZINC000819812660 675316190 /nfs/dbraw/zinc/31/61/90/675316190.db2.gz FSIISYNVNAGTGI-UHFFFAOYSA-N 1 0 370.247 2.092 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)CC2CCN(CC(F)(F)F)CC2)CC1 ZINC000820197318 675342748 /nfs/dbraw/zinc/34/27/48/675342748.db2.gz MQZPPXWWHGTGDZ-UHFFFAOYSA-N 1 0 359.436 2.255 20 30 FEEDRO C#C[C@H](NC(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1)c1ccc(Cl)cc1 ZINC000820553979 675369501 /nfs/dbraw/zinc/36/95/01/675369501.db2.gz YJKMOOOBYKRDIU-MSOLQXFVSA-N 1 0 361.873 2.255 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)c1cc(Br)c2nccnc2c1 ZINC000820687854 675378971 /nfs/dbraw/zinc/37/89/71/675378971.db2.gz CFYFWTRDTRXEKW-UHFFFAOYSA-N 1 0 361.243 2.077 20 30 FEEDRO C#C[C@H](NC(=O)NC[C@H]1CCCC[N@H+]1CCO)c1ccc(Cl)cc1F ZINC000820750141 675385077 /nfs/dbraw/zinc/38/50/77/675385077.db2.gz LAQUQOXGWRRHFE-PBHICJAKSA-N 1 0 367.852 2.299 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1ccc(N)c(OC(F)(F)F)c1 ZINC000823735666 675569349 /nfs/dbraw/zinc/56/93/49/675569349.db2.gz DGMUHYVAMNFKSY-UHFFFAOYSA-N 1 0 358.364 2.475 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N2CC[C@@H](C(F)(F)F)n3nc(C)cc32)CC1 ZINC000823832143 675574006 /nfs/dbraw/zinc/57/40/06/675574006.db2.gz RKNABEPJVIGVAX-AWEZNQCLSA-N 1 0 354.376 2.377 20 30 FEEDRO C#C[C@H](CC)[NH2+]Cc1cc(Br)ccc1O[C@H](C)C(=O)NC ZINC000824363528 675597891 /nfs/dbraw/zinc/59/78/91/675597891.db2.gz FAOHRTWJYFWVGM-BXUZGUMPSA-N 1 0 353.260 2.464 20 30 FEEDRO CCOC(=O)CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)C#Cc1cccs1 ZINC000825414437 675651765 /nfs/dbraw/zinc/65/17/65/675651765.db2.gz FBEOZXWFTGSLRS-INIZCTEOSA-N 1 0 362.495 2.366 20 30 FEEDRO C=CCN1C(=S)N=NC1c1sc(NC(=O)[C@H](C)[NH2+]C2CC2)nc1C ZINC000826531932 675690635 /nfs/dbraw/zinc/69/06/35/675690635.db2.gz PYTUQRJEDZZZMQ-VIFPVBQESA-N 1 0 364.500 2.264 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC000826662952 675698744 /nfs/dbraw/zinc/69/87/44/675698744.db2.gz TVIWMBJRHKANBE-KOMQPUFPSA-N 1 0 351.491 2.446 20 30 FEEDRO CCC1([NH+]2CCOCC2)CCN(C(=O)C2(C#N)CCSCC2)CC1 ZINC000827620591 675768589 /nfs/dbraw/zinc/76/85/89/675768589.db2.gz MJMAIFHDNLXIOE-UHFFFAOYSA-N 1 0 351.516 2.127 20 30 FEEDRO CC(=O)N[C@@H]1CCC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000603890958 675801829 /nfs/dbraw/zinc/80/18/29/675801829.db2.gz WSWBWGLHODSKFO-CYBMUJFWSA-N 1 0 360.483 2.038 20 30 FEEDRO C#CCN(CC(=O)N1CC[C@@H](C[NH+](CC)CC)C1)C(=O)OC(C)(C)C ZINC000829162901 675867935 /nfs/dbraw/zinc/86/79/35/675867935.db2.gz UUJVQEHBSQPUGU-INIZCTEOSA-N 1 0 351.491 2.047 20 30 FEEDRO C=CCN(C(=O)C1CC[NH+](C2CCN(CC)CC2)CC1)[C@H](C)COC ZINC000617582620 676293294 /nfs/dbraw/zinc/29/32/94/676293294.db2.gz QOFKLPBTYKKDDS-QGZVFWFLSA-N 1 0 351.535 2.232 20 30 FEEDRO N#CCc1cccc(S(=O)(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000619492383 676380945 /nfs/dbraw/zinc/38/09/45/676380945.db2.gz MQTCMELUYWUDKS-APWZRJJASA-N 1 0 359.495 2.390 20 30 FEEDRO C=CCCOCC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000677290197 679674413 /nfs/dbraw/zinc/67/44/13/679674413.db2.gz IKAZLAGQQFEBBV-RBUKOAKNSA-N 1 0 351.535 2.375 20 30 FEEDRO COCC#CC[N@@H+]1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000677480579 679682558 /nfs/dbraw/zinc/68/25/58/679682558.db2.gz ZYJWIWWNLMNJRN-ZDUSSCGKSA-N 1 0 366.259 2.144 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cc(Cl)cc(C)c2OC)CC1 ZINC000627366045 676751994 /nfs/dbraw/zinc/75/19/94/676751994.db2.gz FSLCZZQWBFQHEC-UHFFFAOYSA-N 1 0 365.861 2.362 20 30 FEEDRO C[C@@](O)(C[N@@H+]1CC[C@@](O)(CC#N)C1)c1ccc(Br)cc1F ZINC000829999181 677021020 /nfs/dbraw/zinc/02/10/20/677021020.db2.gz YBNNYCWSLJGNJJ-CABCVRRESA-N 1 0 357.223 2.146 20 30 FEEDRO C[NH+]1CCC(CNC(=S)N2CCO[C@H](c3cccc(C#N)c3)C2)CC1 ZINC000760498569 680690259 /nfs/dbraw/zinc/69/02/59/680690259.db2.gz GOQTVGDMWMJCTF-SFHVURJKSA-N 1 0 358.511 2.148 20 30 FEEDRO C#CCOc1ccc(Br)cc1C[NH2+]CCNc1cnccn1 ZINC000760699878 680698290 /nfs/dbraw/zinc/69/82/90/680698290.db2.gz CPISIOGSPPUAEC-UHFFFAOYSA-N 1 0 361.243 2.453 20 30 FEEDRO C=CC[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2S(=O)(=O)N(C)CCO)C1 ZINC000651712283 677446567 /nfs/dbraw/zinc/44/65/67/677446567.db2.gz ZHXHUDKRUGICLE-NVXWUHKLSA-N 1 0 352.500 2.134 20 30 FEEDRO C=CC[C@H]1CC[C@H]([NH2+]Cc2ccccc2S(=O)(=O)N(C)CCO)C1 ZINC000651712284 677446577 /nfs/dbraw/zinc/44/65/77/677446577.db2.gz ZHXHUDKRUGICLE-RDJZCZTQSA-N 1 0 352.500 2.134 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)Nc1ccccc1I ZINC000838624116 680706828 /nfs/dbraw/zinc/70/68/28/680706828.db2.gz HUZWTOXTNDBLOB-UHFFFAOYSA-N 1 0 371.222 2.368 20 30 FEEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)NCCC1(C[NH3+])CC1 ZINC000652713710 677497417 /nfs/dbraw/zinc/49/74/17/677497417.db2.gz VLZYYENLDSSIRX-UHFFFAOYSA-N 1 0 355.891 2.161 20 30 FEEDRO COc1cc[nH+]c(N2CCN(C(=O)Nc3snc(C)c3C#N)CC2)c1 ZINC000839102767 680738093 /nfs/dbraw/zinc/73/80/93/680738093.db2.gz XMCQPTILAXEPLF-UHFFFAOYSA-N 1 0 358.427 2.081 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1NC(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000659500330 678185058 /nfs/dbraw/zinc/18/50/58/678185058.db2.gz CBWRSNTZUILRIT-IEAZIUSSSA-N 1 0 351.397 2.053 20 30 FEEDRO C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc(Cl)c(SC)c1 ZINC000839564116 680761955 /nfs/dbraw/zinc/76/19/55/680761955.db2.gz OLZHMESFGUXLJJ-UHFFFAOYSA-N 1 0 353.875 2.072 20 30 FEEDRO C=CC[C@]1(C(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)CCC[NH2+]1 ZINC000662445145 678621950 /nfs/dbraw/zinc/62/19/50/678621950.db2.gz DIRWIFDSSLIPHG-QGZVFWFLSA-N 1 0 351.472 2.010 20 30 FEEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=S)NCc3ccon3)CC2)cc1 ZINC000764455823 680810060 /nfs/dbraw/zinc/81/00/60/680810060.db2.gz UYYUUBPQJXXPRG-UHFFFAOYSA-N 1 0 355.467 2.129 20 30 FEEDRO C#CC[N@H+]1CCC[C@H]1COC(=O)Cc1c(C)nn(CC(F)(F)F)c1C ZINC000764623763 680817139 /nfs/dbraw/zinc/81/71/39/680817139.db2.gz BMGVASJNWXKDCC-AWEZNQCLSA-N 1 0 357.376 2.246 20 30 FEEDRO C=CCOc1ccc(CN(CC[NH+](C)C)CC(=O)N(C)C)cc1Cl ZINC000668558668 679185171 /nfs/dbraw/zinc/18/51/71/679185171.db2.gz NVKNXFCTSPDNKF-UHFFFAOYSA-N 1 0 353.894 2.357 20 30 FEEDRO CON(C)C(=O)[C@H](CCSC)[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000765267612 680837636 /nfs/dbraw/zinc/83/76/36/680837636.db2.gz PZDXQOVIUHAMLI-BBRMVZONSA-N 1 0 351.472 2.209 20 30 FEEDRO C#CCOc1ccc([C@H](C)[NH2+]CCNS(=O)(=O)c2ccccc2)cc1 ZINC000765409202 680841235 /nfs/dbraw/zinc/84/12/35/680841235.db2.gz NAEFBNSVPNHZQD-INIZCTEOSA-N 1 0 358.463 2.328 20 30 FEEDRO C#CCC[NH+]1CCC(NS(=O)(=O)Cc2ccc(Cl)c(F)c2)CC1 ZINC000840952255 680856517 /nfs/dbraw/zinc/85/65/17/680856517.db2.gz YCHHQOIEEKBZMO-UHFFFAOYSA-N 1 0 358.866 2.386 20 30 FEEDRO Cc1ccc(Cc2cnc(NC(=O)N[C@@H]3C[NH2+]C[C@@H]3C#N)s2)cc1F ZINC000841020485 680860314 /nfs/dbraw/zinc/86/03/14/680860314.db2.gz RXKVUJDACMFQNW-SWLSCSKDSA-N 1 0 359.430 2.415 20 30 FEEDRO C#CCC[NH+]1CCC(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000748672368 679986478 /nfs/dbraw/zinc/98/64/78/679986478.db2.gz TUNCRNOVVIGDRD-UHFFFAOYSA-N 1 0 360.401 2.471 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[N@@H+](CCC2CCOCC2)CC1(C)C ZINC000975052600 680008607 /nfs/dbraw/zinc/00/86/07/680008607.db2.gz BFFNWLPXNLCHFJ-SQNIBIBYSA-N 1 0 350.503 2.221 20 30 FEEDRO CC[N@@H+]1CCC[C@@H]1Cn1c(C)cc(C=NNS(=O)(=O)C(C)C)c1C ZINC000749747860 680071022 /nfs/dbraw/zinc/07/10/22/680071022.db2.gz QVIRPFPMHUTHGB-QGZVFWFLSA-N 1 0 354.520 2.251 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H]([NH2+]Cc2c(C)nn(C)c2Cl)C1 ZINC001019498619 680095195 /nfs/dbraw/zinc/09/51/95/680095195.db2.gz KICVXJOMHVGWFC-DZKIICNBSA-N 1 0 366.893 2.054 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ncc(Cl)n2C)C1 ZINC001020716370 680113849 /nfs/dbraw/zinc/11/38/49/680113849.db2.gz RXMNLVHCFHWIOC-WSMBLCCSSA-N 1 0 366.893 2.182 20 30 FEEDRO C=CCN(C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1)C(C)C ZINC000751112140 680154286 /nfs/dbraw/zinc/15/42/86/680154286.db2.gz SZABDFZFAMXAGR-UHFFFAOYSA-N 1 0 352.523 2.219 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3sc(C)nc3C)C[C@H]21 ZINC000978717554 680179238 /nfs/dbraw/zinc/17/92/38/680179238.db2.gz NNBDLMCEJYRBND-MTSZKFMLSA-N 1 0 361.511 2.145 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)NCc2nc(C)c(Br)s2)CC1 ZINC000833612471 680196409 /nfs/dbraw/zinc/19/64/09/680196409.db2.gz RSVDWBIHSRAYBV-UHFFFAOYSA-N 1 0 356.289 2.175 20 30 FEEDRO C=C(Cl)C(C)(C)C(=O)N1C[C@@H]2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001022212417 680202934 /nfs/dbraw/zinc/20/29/34/680202934.db2.gz CQFDRMMOANMJHE-OWCLPIDISA-N 1 0 367.921 2.166 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC2(C1)CCC[N@@H+](C[C@H](CC)OC)C2 ZINC000981776602 680251002 /nfs/dbraw/zinc/25/10/02/680251002.db2.gz RTLIDBYFGIZYIF-KSZLIROESA-N 1 0 350.503 2.317 20 30 FEEDRO C=C(Cl)C(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000982805259 680288208 /nfs/dbraw/zinc/28/82/08/680288208.db2.gz NYTYTMUEBFVMOE-BPLDGKMQSA-N 1 0 355.910 2.070 20 30 FEEDRO C=C(Br)C[NH2+][C@H]1CN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC1(C)C ZINC000996343605 680329315 /nfs/dbraw/zinc/32/93/15/680329315.db2.gz XFIBBZPWQPQBIW-MQYQWHSLSA-N 1 0 357.292 2.289 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([NH2+]Cc2cnc(Cl)s2)CC1 ZINC000997011978 680345211 /nfs/dbraw/zinc/34/52/11/680345211.db2.gz MLPKAFJGHWTXJF-KGLIPLIRSA-N 1 0 355.891 2.468 20 30 FEEDRO CC(C)[N@H+]1CC(N=Nc2ccc(S(=O)(=O)NC(C)(C)C)cn2)[C@@H](C)C1 ZINC000754258389 680346034 /nfs/dbraw/zinc/34/60/34/680346034.db2.gz MDWZFUYGUTWWJD-ZDUSSCGKSA-N 1 0 367.519 2.286 20 30 FEEDRO N#Cc1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)s1 ZINC000984370212 680349458 /nfs/dbraw/zinc/34/94/58/680349458.db2.gz MIUUDRRCSVMFPO-GXFITVMTSA-N 1 0 357.479 2.028 20 30 FEEDRO C#CCOc1cc(F)ccc1NC(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000754444588 680356410 /nfs/dbraw/zinc/35/64/10/680356410.db2.gz FJQIRTCKOPOVDA-QGZVFWFLSA-N 1 0 351.447 2.397 20 30 FEEDRO C=C(Cl)C[N@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CN(C)C[C@@H](C)O2)CC1 ZINC000998044989 680373363 /nfs/dbraw/zinc/37/33/63/680373363.db2.gz IBICDLQVHKPGFF-BRWVUGGUSA-N 1 0 357.926 2.161 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](CCc2scnc2C)C1 ZINC001028548453 680373657 /nfs/dbraw/zinc/37/36/57/680373657.db2.gz AQTZNXPQNXSNOE-ZACQAIPSSA-N 1 0 363.527 2.413 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](Cc2ccc(F)c(F)c2)C1 ZINC001028808905 680383226 /nfs/dbraw/zinc/38/32/26/680383226.db2.gz HBRQBBKKOBLUOK-RKVPGOIHSA-N 1 0 350.409 2.494 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([C@H](C)[NH2+]Cc2snnc2C)CC1 ZINC001029146080 680387360 /nfs/dbraw/zinc/38/73/60/680387360.db2.gz JWPRUDTUWNWDBS-MAZHCROVSA-N 1 0 364.515 2.154 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC([C@H](C)[NH2+]Cc2nncs2)CC1 ZINC001029157018 680387649 /nfs/dbraw/zinc/38/76/49/680387649.db2.gz UNHKLLPJFTWQFJ-QRTARXTBSA-N 1 0 364.515 2.236 20 30 FEEDRO N#Cc1cc(C(=O)OCC(=O)NC2CC[NH+](C3CC3)CC2)ccc1Cl ZINC000754919685 680388768 /nfs/dbraw/zinc/38/87/68/680388768.db2.gz GJIJOLOMMFMFSV-UHFFFAOYSA-N 1 0 361.829 2.111 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCc1scnc1C ZINC001029481059 680389570 /nfs/dbraw/zinc/38/95/70/680389570.db2.gz XQKALZOZXQBHNR-TWMKSMIVSA-N 1 0 361.511 2.260 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2snnc2C)C1 ZINC000999524470 680405261 /nfs/dbraw/zinc/40/52/61/680405261.db2.gz UAVVZYKIKAQFSY-NDTCATRNSA-N 1 0 364.515 2.297 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC1C[NH+](C[C@@H](OC)C2CCC2)C1 ZINC001032040898 680411654 /nfs/dbraw/zinc/41/16/54/680411654.db2.gz ZLWNLADATCFGDK-OTWHNJEPSA-N 1 0 350.503 2.221 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)NCc1ccc(OCC(F)(F)F)cc1 ZINC000836203921 680435242 /nfs/dbraw/zinc/43/52/42/680435242.db2.gz AVIQIOPIBZFIAL-UHFFFAOYSA-N 1 0 357.376 2.382 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]C[C@H]2CCCOC2)CC1 ZINC001034647682 680436668 /nfs/dbraw/zinc/43/66/68/680436668.db2.gz VNADAXLOZGMNKO-NNIGNNQHSA-N 1 0 350.503 2.411 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)NCc1ccccc1OCC(F)(F)F ZINC000836229316 680438257 /nfs/dbraw/zinc/43/82/57/680438257.db2.gz AZSBUVXEWOHSRS-UHFFFAOYSA-N 1 0 357.376 2.382 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCC2CCOCC2)CC1 ZINC001034738472 680439304 /nfs/dbraw/zinc/43/93/04/680439304.db2.gz ABPRPXRHNOOSCU-MKXGPGLRSA-N 1 0 350.503 2.411 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+]1CCC1CCOCC1 ZINC001038800951 680461253 /nfs/dbraw/zinc/46/12/53/680461253.db2.gz VXABUDCKIPEHRG-FHWLQOOXSA-N 1 0 350.503 2.365 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)NCC1CC[NH+](C[C@H]2CC(C)(C)CO2)CC1 ZINC001001851978 680478341 /nfs/dbraw/zinc/47/83/41/680478341.db2.gz PDXRUYSNBBSLCB-KURKYZTESA-N 1 0 350.503 2.221 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1CC[NH+](CCc2ccns2)CC1 ZINC001001935382 680482659 /nfs/dbraw/zinc/48/26/59/680482659.db2.gz UXTZJJBICSUBHK-ROUUACIJSA-N 1 0 363.527 2.495 20 30 FEEDRO C=C(Cl)C(C)(C)C(=O)N1C[C@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@H]2C1 ZINC000986158727 680497611 /nfs/dbraw/zinc/49/76/11/680497611.db2.gz QRAJVLGSRKRDJO-PMPSAXMXSA-N 1 0 367.921 2.024 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1CC[NH+](CC[C@H]2CCOC2)CC1 ZINC001005409711 680574513 /nfs/dbraw/zinc/57/45/13/680574513.db2.gz LDTAIPYXYZOJOH-UHOSZYNNSA-N 1 0 350.503 2.317 20 30 FEEDRO C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1Nc1snc(Cl)c1C#N ZINC001043356783 680577051 /nfs/dbraw/zinc/57/70/51/680577051.db2.gz QHPXUSYXUXQENE-ZYHUDNBSSA-N 1 0 367.906 2.411 20 30 FEEDRO C=C(Cl)C(C)(C)C(=O)N1CC([C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001006189079 680598407 /nfs/dbraw/zinc/59/84/07/680598407.db2.gz VUNAQDKOIDNNPQ-LALPHHSUSA-N 1 0 355.910 2.068 20 30 FEEDRO C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H](Nc3nc(C#N)c(Cl)s3)C2)CC[N@@H+]1C ZINC001047065913 680657001 /nfs/dbraw/zinc/65/70/01/680657001.db2.gz RCNPYBLQFUMJOY-DDHJBXDOSA-N 1 0 367.906 2.315 20 30 FEEDRO C=C(C[NH+](C)C)C(=O)N[C@@H]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC000838175709 680677813 /nfs/dbraw/zinc/67/78/13/680677813.db2.gz SKVCLESWZUETQG-ARFHVFGLSA-N 1 0 351.491 2.256 20 30 FEEDRO CC(=NNC(=S)NCCC[NH+](C)C)c1nc2ccc(Cl)cc2n1C ZINC000760258781 680680964 /nfs/dbraw/zinc/68/09/64/680680964.db2.gz MXDNTJGEASTLOK-UHFFFAOYSA-N 1 0 366.922 2.367 20 30 FEEDRO CCOc1cc(Br)ccc1NC(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000841149239 680865950 /nfs/dbraw/zinc/86/59/50/680865950.db2.gz DVOHJTBNTHCGKC-BXKDBHETSA-N 1 0 353.220 2.081 20 30 FEEDRO CCCCCCCCNC(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000841863585 680915118 /nfs/dbraw/zinc/91/51/18/680915118.db2.gz CNDIQUYLLYWXHA-QGZVFWFLSA-N 1 0 352.523 2.200 20 30 FEEDRO C#C[C@@H](NC(=O)NCC[C@H]1CC[NH2+]C1)c1ccc(Br)cc1 ZINC000841938139 680917991 /nfs/dbraw/zinc/91/79/91/680917991.db2.gz IGUXUINSUFHAKM-IUODEOHRSA-N 1 0 350.260 2.422 20 30 FEEDRO C#C[C@@H](NC(=O)N[C@H]1C[NH2+]CCC1(F)F)c1ccc(Br)cc1 ZINC000842006486 680921557 /nfs/dbraw/zinc/92/15/57/680921557.db2.gz SXMWICQZXFGERB-OLZOCXBDSA-N 1 0 372.213 2.420 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cnn(CC)c2Br)CC1 ZINC000874436564 685388008 /nfs/dbraw/zinc/38/80/08/685388008.db2.gz KUEBQAFDHOIRQT-UHFFFAOYSA-N 1 0 355.280 2.436 20 30 FEEDRO C#CC[N@H+]1CCC[C@H]1COC(=O)C[C@H](C)n1cc(Br)cn1 ZINC000842711072 680961284 /nfs/dbraw/zinc/96/12/84/680961284.db2.gz WBYOUXVLMQUSLQ-JSGCOSHPSA-N 1 0 354.248 2.238 20 30 FEEDRO C#CCNC(=O)C1CC[NH+](Cc2cc(OC)c(OC)cc2SC)CC1 ZINC000769021064 680968084 /nfs/dbraw/zinc/96/80/84/680968084.db2.gz MWGUFROBNXDOIE-UHFFFAOYSA-N 1 0 362.495 2.387 20 30 FEEDRO C=CCS(=O)(=O)CC[NH2+][C@H](C)C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000769551426 680986864 /nfs/dbraw/zinc/98/68/64/680986864.db2.gz JTFASSOEMQSCGQ-HUUCEWRRSA-N 1 0 360.520 2.355 20 30 FEEDRO CN(CCC#N)C[C@@H](O)C[NH2+]CC[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000843096922 680987553 /nfs/dbraw/zinc/98/75/53/680987553.db2.gz GDKBVHKZBOKCQJ-XJKSGUPXSA-N 1 0 360.285 2.213 20 30 FEEDRO C#CC[C@@H]1CCC[N@@H+](Cc2cc(Cl)c(OCC(N)=O)c(OC)c2)C1 ZINC000843424528 681003356 /nfs/dbraw/zinc/00/33/56/681003356.db2.gz VLPIOWSYDVQWFW-CYBMUJFWSA-N 1 0 350.846 2.448 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@H](C[NH2+]CC2CCCCCC2)C1 ZINC001051834511 681069657 /nfs/dbraw/zinc/06/96/57/681069657.db2.gz OWOQECDISBSMEH-QRVBRYPASA-N 1 0 350.503 2.365 20 30 FEEDRO Cn1ncc(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)c1Cl ZINC000845005346 681097719 /nfs/dbraw/zinc/09/77/19/681097719.db2.gz ZDZRCMRQGPWJJM-UHFFFAOYSA-N 1 0 357.845 2.340 20 30 FEEDRO C=CC[C@@H]1CC[C@H]([NH2+]CC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000845929464 681163156 /nfs/dbraw/zinc/16/31/56/681163156.db2.gz UZFCXAJBGCIHTC-CVEARBPZSA-N 1 0 351.491 2.400 20 30 FEEDRO Cc1nsc(N2CCC(N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)c1C#N ZINC001058091827 681167638 /nfs/dbraw/zinc/16/76/38/681167638.db2.gz LVBCTHNJYCVGSO-UKRRQHHQSA-N 1 0 361.515 2.091 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)c2ccc3c(Br)cnn3c2)CC1 ZINC000932141039 681183071 /nfs/dbraw/zinc/18/30/71/681183071.db2.gz NPPGGONJSPBZLO-UHFFFAOYSA-N 1 0 363.259 2.477 20 30 FEEDRO CN(C(=O)Nc1ccc(Br)c(C#N)n1)[C@H]1CCC[N@H+](C)C1 ZINC000932159205 681185109 /nfs/dbraw/zinc/18/51/09/681185109.db2.gz WHBHOULBCZJSRT-JTQLQIEISA-N 1 0 352.236 2.274 20 30 FEEDRO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H](Nc3nc(Cl)c(C#N)s3)C2)CC[N@@H+]1C ZINC001059854081 681186591 /nfs/dbraw/zinc/18/65/91/681186591.db2.gz YOJZMWZLXVQHMV-CHWFTXMASA-N 1 0 353.879 2.067 20 30 FEEDRO C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CC[C@@H](CC#N)C1 ZINC000846239426 681209092 /nfs/dbraw/zinc/20/90/92/681209092.db2.gz WZWUGTYCPFYFPP-KKUMJFAQSA-N 1 0 352.479 2.030 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]2C[N@H+]([C@H](C)COC)C[C@H]2CC1 ZINC000946595126 681244272 /nfs/dbraw/zinc/24/42/72/681244272.db2.gz JTLCPCZNVXRJNH-FQBWVUSXSA-N 1 0 350.503 2.173 20 30 FEEDRO C[NH+]1CCC(ONC(=O)Cc2ccc(Br)cc2C#N)CC1 ZINC000846651669 681272289 /nfs/dbraw/zinc/27/22/89/681272289.db2.gz XOJIWEAVVPJSDA-UHFFFAOYSA-N 1 0 352.232 2.005 20 30 FEEDRO COc1ccc(-c2nc(C)c(C(=O)N[C@@H]3C[NH2+]C[C@@H]3C#N)s2)c(F)c1 ZINC000846678401 681275010 /nfs/dbraw/zinc/27/50/10/681275010.db2.gz SSDMNCXFSZYCIR-IINYFYTJSA-N 1 0 360.414 2.108 20 30 FEEDRO Cc1nc(N)sc1C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000846700696 681277362 /nfs/dbraw/zinc/27/73/62/681277362.db2.gz FUGQDTYQCAOXNZ-UHFFFAOYSA-N 1 0 355.467 2.300 20 30 FEEDRO C[NH+](C)C1(CNC(=O)N[C@H](CC#N)C(F)(F)F)Cc2ccccc2C1 ZINC000932916133 681327442 /nfs/dbraw/zinc/32/74/42/681327442.db2.gz QJGQAVHFCNAMBM-CQSZACIVSA-N 1 0 354.376 2.229 20 30 FEEDRO CC(C)(C#N)CC[NH+]1CCN(c2ccc(NS(C)(=O)=O)cc2)CC1 ZINC000776596579 681413050 /nfs/dbraw/zinc/41/30/50/681413050.db2.gz GYRCXODRKVLSQE-UHFFFAOYSA-N 1 0 350.488 2.120 20 30 FEEDRO C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)OCC)C1 ZINC000776755328 681433723 /nfs/dbraw/zinc/43/37/23/681433723.db2.gz NZBXCMNUDOTDEG-YESZJQIVSA-N 1 0 351.491 2.422 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)Nc2cncc(Br)c2C)CC1 ZINC000934272109 681541299 /nfs/dbraw/zinc/54/12/99/681541299.db2.gz AZOUDPWLQUJLMV-UHFFFAOYSA-N 1 0 351.248 2.372 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2nc(-c3cnn(C)c3)ns2)CC1 ZINC000934576178 681595013 /nfs/dbraw/zinc/59/50/13/681595013.db2.gz FGJBPQAIAVGJDF-UHFFFAOYSA-N 1 0 361.475 2.101 20 30 FEEDRO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCOC[C@H]1CC1CCOCC1 ZINC000934641140 681604739 /nfs/dbraw/zinc/60/47/39/681604739.db2.gz DGJUAAQEVPMZEF-MRXNPFEDSA-N 1 0 363.483 2.466 20 30 FEEDRO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CCCC[C@H]([C@H]3CCOC3)C2)c1 ZINC000934833464 681645374 /nfs/dbraw/zinc/64/53/74/681645374.db2.gz KCMXBIZABFNVPK-ROUUACIJSA-N 1 0 362.495 2.471 20 30 FEEDRO C=C(C)CNC(=[NH2+])NC[C@@H](CO)Cc1ccc(OC)c(Br)c1 ZINC000849115069 681657103 /nfs/dbraw/zinc/65/71/03/681657103.db2.gz DKFVOXNYHIOBHM-ZDUSSCGKSA-N 1 0 370.291 2.299 20 30 FEEDRO C=C(C)CNC(=[NH2+])NC[C@H](CO)Cc1cc(Br)ccc1F ZINC000849115243 681657623 /nfs/dbraw/zinc/65/76/23/681657623.db2.gz KZQRQVSEHNURQO-LLVKDONJSA-N 1 0 358.255 2.429 20 30 FEEDRO C#CCN(CC(=O)OC(C)(C)C)C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000849227959 681669020 /nfs/dbraw/zinc/66/90/20/681669020.db2.gz WZCMGQDOXKMKGL-CQSZACIVSA-N 1 0 365.499 2.337 20 30 FEEDRO CC(C)N1CCO[C@@H](C(=[NH2+])NOCc2cc(Cl)ccc2OCC#N)C1 ZINC000779652701 681735653 /nfs/dbraw/zinc/73/56/53/681735653.db2.gz HVPUPNMQDAMCMM-MRXNPFEDSA-N 1 0 366.849 2.350 20 30 FEEDRO C[C@@H]1CCC[N@@H+]1CCNS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000780866112 681879401 /nfs/dbraw/zinc/87/94/01/681879401.db2.gz IOFOLBZKYRNUCK-LLVKDONJSA-N 1 0 361.389 2.340 20 30 FEEDRO CCCC[C@H](ON=C(C)C)C(=O)NC[C@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000780981549 681892980 /nfs/dbraw/zinc/89/29/80/681892980.db2.gz UVTCLGRVORGAHV-MSOLQXFVSA-N 1 0 354.539 2.346 20 30 FEEDRO Cc1cc(C#N)cc(C)c1CS(=O)(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000914259272 685501279 /nfs/dbraw/zinc/50/12/79/685501279.db2.gz OPHITJFTQJPRDB-IEBWSBKVSA-N 1 0 361.511 2.421 20 30 FEEDRO C#CCC1(NC(=O)NC[C@@]2(N3CCOCC3)CCSC2)CCCCC1 ZINC000914327620 685504102 /nfs/dbraw/zinc/50/41/02/685504102.db2.gz QTAURQPJHCLUOF-IBGZPJMESA-N 1 0 365.543 2.220 20 30 FEEDRO C=CCSCCNC(=O)N[C@@H]1C[C@@]2(C[N@@H+](CC)[C@H]2C(C)C)C[C@H]1O ZINC000915205023 685513065 /nfs/dbraw/zinc/51/30/65/685513065.db2.gz LFKOWYMYVCNRJS-CBZIJGRNSA-N 1 0 355.548 2.075 20 30 FEEDRO C=CCC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@H]3OCCO[C@H]3C)CC2)C1 ZINC000961375045 682091410 /nfs/dbraw/zinc/09/14/10/682091410.db2.gz OIJAZLYUSIRRAK-WDSOQIARSA-N 1 0 350.503 2.317 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cc(C)ns3)C[C@H]21 ZINC000961996006 682105820 /nfs/dbraw/zinc/10/58/20/682105820.db2.gz QDBNMEZYNGWJOC-AVEIZBFRSA-N 1 0 361.511 2.369 20 30 FEEDRO C[NH+](C)CCN(CCc1ccccc1)S(=O)(=O)c1ccccc1C#N ZINC000915657979 685517172 /nfs/dbraw/zinc/51/71/72/685517172.db2.gz CNNCSAKOWVEFQP-UHFFFAOYSA-N 1 0 357.479 2.353 20 30 FEEDRO O=C1Nc2c(cc(F)cc2Br)C1=NNCC[NH+]1CCCCC1 ZINC000915973856 685520028 /nfs/dbraw/zinc/52/00/28/685520028.db2.gz NWNMPZVRQUAYMS-UHFFFAOYSA-N 1 0 369.238 2.320 20 30 FEEDRO Cn1cccc1C=NNC(=S)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000916307146 685523402 /nfs/dbraw/zinc/52/34/02/685523402.db2.gz STUQWTBHYFDNRG-UHFFFAOYSA-N 1 0 355.511 2.488 20 30 FEEDRO C#CCOCC[N@H+]1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000851825434 682149473 /nfs/dbraw/zinc/14/94/73/682149473.db2.gz HXJXFEHXOZXZCA-CYBMUJFWSA-N 1 0 366.259 2.144 20 30 FEEDRO N#Cc1c(F)cccc1S(=O)(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000851894713 682180073 /nfs/dbraw/zinc/18/00/73/682180073.db2.gz PODIVIOUSSTRDC-AWEZNQCLSA-N 1 0 351.447 2.098 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNc1cccc(S(N)(=O)=O)c1C#N)C(C)C ZINC000784567031 682238011 /nfs/dbraw/zinc/23/80/11/682238011.db2.gz PTIBJEFZLTVMEB-QGZVFWFLSA-N 1 0 362.499 2.316 20 30 FEEDRO N#Cc1ccc(NC(=O)CC[N@@H+]2CCC3=C(CCC(=O)N3)C2)cc1Cl ZINC000852297238 682255555 /nfs/dbraw/zinc/25/55/55/682255555.db2.gz GCAOQUINNBVCKB-UHFFFAOYSA-N 1 0 358.829 2.410 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](CCc2scnc2C)C1 ZINC000969693325 682272823 /nfs/dbraw/zinc/27/28/23/682272823.db2.gz RPEQLZHUODFSSK-XKQJLSEDSA-N 1 0 363.527 2.412 20 30 FEEDRO C[NH+]1C[C@]2(C)CN(S(=O)(=O)c3ccc(C#N)cc3Cl)C[C@@]2(C)C1 ZINC000918359891 685538738 /nfs/dbraw/zinc/53/87/38/685538738.db2.gz MAVOHLMDYXDRPG-HZPDHXFCSA-N 1 0 353.875 2.174 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H](C)C1C[NH+](CCc2csc(C)n2)C1 ZINC000970572153 682307892 /nfs/dbraw/zinc/30/78/92/682307892.db2.gz RLHQPZMMHVTTFV-KKXDTOCCSA-N 1 0 363.527 2.412 20 30 FEEDRO Cn1ccnc1[C@@H](NC(=O)C#CC1CC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000852806828 682345298 /nfs/dbraw/zinc/34/52/98/682345298.db2.gz MNZZWVFHWVJWFV-SFHVURJKSA-N 1 0 356.857 2.282 20 30 FEEDRO COc1ccc2c(c1)C(=NNC(=S)NCCC[NH+](C)C)CCS2 ZINC000786040363 682345734 /nfs/dbraw/zinc/34/57/34/682345734.db2.gz NNXIRYQFMSMFNE-UHFFFAOYSA-N 1 0 352.529 2.311 20 30 FEEDRO O=C(C#CC1CC[NH2+]CC1)N1CCc2sc(Br)cc2C1 ZINC000852908875 682356423 /nfs/dbraw/zinc/35/64/23/682356423.db2.gz PSWOTTRKOPJOPJ-UHFFFAOYSA-N 1 0 353.285 2.398 20 30 FEEDRO C#CC[N@H+]1CCC[C@@H]1COC(=O)[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1C ZINC000786457360 682375814 /nfs/dbraw/zinc/37/58/14/682375814.db2.gz OHUNPFWBAHDWTN-OAGGEKHMSA-N 1 0 350.459 2.273 20 30 FEEDRO C#CCCCS(=O)(=O)NC[C@@H](c1cccc(OC)c1)[NH+](CC)CC ZINC000786959399 682424772 /nfs/dbraw/zinc/42/47/72/682424772.db2.gz QKOPBKGYLULGQW-SFHVURJKSA-N 1 0 352.500 2.411 20 30 FEEDRO C#CCN(CC(=O)NCCC[NH+]1CCC(C)CC1)C(=O)OC(C)(C)C ZINC000854287238 682532853 /nfs/dbraw/zinc/53/28/53/682532853.db2.gz SHNAHESPMWZZIA-UHFFFAOYSA-N 1 0 351.491 2.095 20 30 FEEDRO COc1ccc(CNS(=O)(=O)c2ccc(C[NH+](C)C)cc2)cc1C#N ZINC000788654541 682546828 /nfs/dbraw/zinc/54/68/28/682546828.db2.gz QIJFNQPABZJMAC-UHFFFAOYSA-N 1 0 359.451 2.107 20 30 FEEDRO Cc1ccccc1C[NH+]1CCN(Cn2nc(CC#N)n(C)c2=S)CC1 ZINC000794617684 682984182 /nfs/dbraw/zinc/98/41/82/682984182.db2.gz ZHQZQAXWAJAHMQ-UHFFFAOYSA-N 1 0 356.499 2.101 20 30 FEEDRO COc1ccc(C=NNC(=S)NCCC[NH+](C)C)c(Br)c1 ZINC000794908451 683002428 /nfs/dbraw/zinc/00/24/28/683002428.db2.gz JBSNGWCGOUSFAO-UHFFFAOYSA-N 1 0 373.320 2.207 20 30 FEEDRO C[C@H](C#N)OCC[NH2+][C@]1(CO)CCc2cc(Br)ccc2C1 ZINC000859574792 683130686 /nfs/dbraw/zinc/13/06/86/683130686.db2.gz RJHQTGPGAAHYET-MLGOLLRUSA-N 1 0 353.260 2.187 20 30 FEEDRO C[C@H](C#N)Oc1ccc(C[NH2+]C[C@H](N2CCOCC2)C(F)(F)F)cc1 ZINC000796514426 683167554 /nfs/dbraw/zinc/16/75/54/683167554.db2.gz LDUQAKMMPWMBLW-CJNGLKHVSA-N 1 0 357.376 2.330 20 30 FEEDRO Cc1nn(CCS(C)(=O)=O)c(C)c1C[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000797978012 683298389 /nfs/dbraw/zinc/29/83/89/683298389.db2.gz KVLUTYLEJJRFJZ-CYBMUJFWSA-N 1 0 360.483 2.267 20 30 FEEDRO N#Cc1cc(F)cc(C2(C(=O)N[C@@H]3CCC[N@@H+]4CCSC[C@@H]34)CC2)c1 ZINC000928080948 683373432 /nfs/dbraw/zinc/37/34/32/683373432.db2.gz NBZYNXJHAJIQLX-SJORKVTESA-N 1 0 359.470 2.425 20 30 FEEDRO C#CCC[C@@H](O)CNC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000799212320 683436826 /nfs/dbraw/zinc/43/68/26/683436826.db2.gz XGHXELBGXQNLEW-GOSISDBHSA-N 1 0 361.511 2.174 20 30 FEEDRO C[NH+](C)CC[C@H](NS(=O)(=O)c1ccc(C#N)c(F)c1)c1cccnc1 ZINC000921479532 683480823 /nfs/dbraw/zinc/48/08/23/683480823.db2.gz LPDBRQJJECECBX-KRWDZBQOSA-N 1 0 362.430 2.064 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)c2ccc(-n3ccnc3SC)cc2)CC1 ZINC000928656704 683482797 /nfs/dbraw/zinc/48/27/97/683482797.db2.gz BWMLXSMDAPMOBP-UHFFFAOYSA-N 1 0 354.479 2.422 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)C2(C(=O)OC(C)(C)C)CCSCC2)CC1 ZINC000928659793 683483031 /nfs/dbraw/zinc/48/30/31/683483031.db2.gz BTDUZKWALZDCJI-UHFFFAOYSA-N 1 0 366.527 2.055 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)COc2cccc(Br)c2)CC1 ZINC000928661117 683483357 /nfs/dbraw/zinc/48/33/57/683483357.db2.gz OCVHVQONGPTDFD-UHFFFAOYSA-N 1 0 351.244 2.042 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cccc(SC(F)(F)F)c1 ZINC000861871831 683489692 /nfs/dbraw/zinc/48/96/92/683489692.db2.gz BGYPITBGYLVLBH-UHFFFAOYSA-N 1 0 373.400 2.308 20 30 FEEDRO CCN(C[C@H](C)C#N)S(=O)(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000800074229 683528750 /nfs/dbraw/zinc/52/87/50/683528750.db2.gz GJDJOFFONXQNMX-KLAILNCOSA-N 1 0 356.536 2.099 20 30 FEEDRO C#CCN(C(=O)N[C@@H](C)c1ccc([S@](C)=O)cc1)C1CC[NH+](C)CC1 ZINC000921648716 683531460 /nfs/dbraw/zinc/53/14/60/683531460.db2.gz RHTAXKUIHHQVFT-MQNRADLISA-N 1 0 361.511 2.224 20 30 FEEDRO C#CCN(C(=O)N[C@@H]1CC[C@H]2SCCS[C@H]12)C1CC[NH+](C)CC1 ZINC000921701955 683549084 /nfs/dbraw/zinc/54/90/84/683549084.db2.gz VOUSIHWCUGKPAK-BZUAXINKSA-N 1 0 353.557 2.105 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)Nc2nnc(Cc3ccccc3)s2)CC1 ZINC000929238063 683567081 /nfs/dbraw/zinc/56/70/81/683567081.db2.gz OCCXIPFPODBPKG-UHFFFAOYSA-N 1 0 355.467 2.348 20 30 FEEDRO N#CC[C@@H](O)C[NH+]1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000929952145 683660449 /nfs/dbraw/zinc/66/04/49/683660449.db2.gz VORJKPODWSFFMH-CYBMUJFWSA-N 1 0 366.259 2.374 20 30 FEEDRO N#CC1(C[C@@H](O)C[NH2+]C[C@@H](O)c2cc(F)cc(Cl)c2)CCOCC1 ZINC000863562928 683742845 /nfs/dbraw/zinc/74/28/45/683742845.db2.gz NGQZUXFDSWPJHA-HZPDHXFCSA-N 1 0 356.825 2.173 20 30 FEEDRO C[N@@H+](Cc1ccc(Br)nc1N)C[C@H](O)c1cccc(C#N)c1 ZINC000930845373 683791938 /nfs/dbraw/zinc/79/19/38/683791938.db2.gz OXBPEDSUCLHDTO-AWEZNQCLSA-N 1 0 361.243 2.463 20 30 FEEDRO O=C(NCC[NH2+]Cc1ccccc1CC(F)(F)F)C1N=CC=CC1=O ZINC000865463350 683986181 /nfs/dbraw/zinc/98/61/81/683986181.db2.gz YTTWHBGWTHCUCT-NXVVXOECSA-N 1 0 353.344 2.407 20 30 FEEDRO N#Cc1cc(C(F)(F)F)cc(N2CCC(CO)([NH2+]CC3CC3)CC2)n1 ZINC000865864376 684038228 /nfs/dbraw/zinc/03/82/28/684038228.db2.gz KVTKKOUIWTZMFD-UHFFFAOYSA-N 1 0 354.376 2.303 20 30 FEEDRO N#Cc1cc(S(=O)(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)ccc1C(F)(F)F ZINC000866822225 684161155 /nfs/dbraw/zinc/16/11/55/684161155.db2.gz ALVKVLPGWBFTTQ-KBPBESRZSA-N 1 0 359.373 2.092 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)N[C@H](C)COc2c(F)cccc2F)CC1 ZINC000923265191 684251993 /nfs/dbraw/zinc/25/19/93/684251993.db2.gz WAXMOWNVIBHVDG-CYBMUJFWSA-N 1 0 351.397 2.129 20 30 FEEDRO CCO[C@H](CNC(=O)Nc1ccc(C#N)c(Br)c1)C[NH+](C)C ZINC000931381416 684272844 /nfs/dbraw/zinc/27/28/44/684272844.db2.gz YGAPSLGVGMRAHJ-CYBMUJFWSA-N 1 0 369.263 2.409 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)N[C@@H](c2nc(C)cs2)C(F)(F)F)CC1 ZINC000931580150 684307222 /nfs/dbraw/zinc/30/72/22/684307222.db2.gz JHBULWDYRFPUQS-LBPRGKRZSA-N 1 0 360.405 2.452 20 30 FEEDRO CCCCCCCCCS(=O)(=O)NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000923682075 684329404 /nfs/dbraw/zinc/32/94/04/684329404.db2.gz AFJXCBMFUREGNA-MRXNPFEDSA-N 1 0 374.547 2.342 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)NCc2ccc(OC(F)F)cc2F)CC1 ZINC000923914883 684367872 /nfs/dbraw/zinc/36/78/72/684367872.db2.gz XVZIABVDEIIWMW-UHFFFAOYSA-N 1 0 355.360 2.324 20 30 FEEDRO N#Cc1cccc([C@H](NC(=O)N[C@@H](C[NH3+])C(F)(F)F)C(F)(F)F)c1 ZINC000868169522 684460259 /nfs/dbraw/zinc/46/02/59/684460259.db2.gz YLZBWUMENWUOTG-UWVGGRQHSA-N 1 0 354.254 2.350 20 30 FEEDRO N#Cc1cccc([C@H](NC(=O)N[C@@H](CC[NH3+])C(F)F)C(F)(F)F)c1 ZINC000868210601 684464610 /nfs/dbraw/zinc/46/46/10/684464610.db2.gz PYDIUGZUOAGVBS-QWRGUYRKSA-N 1 0 350.291 2.443 20 30 FEEDRO COc1cc(C#N)ccc1S(=O)(=O)N[C@@H]1CCCCC12CC[NH2+]CC2 ZINC000871819536 684863174 /nfs/dbraw/zinc/86/31/74/684863174.db2.gz VRWLLIIKQBJGBR-QGZVFWFLSA-N 1 0 363.483 2.158 20 30 FEEDRO CN(CCCCCC[NH3+])S(=O)(=O)c1cccc(Br)c1C#N ZINC000871824280 684864391 /nfs/dbraw/zinc/86/43/91/684864391.db2.gz XYPYAAXWAZNDGJ-UHFFFAOYSA-N 1 0 374.304 2.460 20 30 FEEDRO N#Cc1ccc([C@H](O)C[NH2+]Cc2ccnc(N3CCSCC3)c2)cc1 ZINC000872223655 684929022 /nfs/dbraw/zinc/92/90/22/684929022.db2.gz VLUGIUHCKHCETP-GOSISDBHSA-N 1 0 354.479 2.330 20 30 FEEDRO N#CC1(C[C@H](O)C[NH2+]Cc2ccc(Br)cn2)CCOCC1 ZINC000872233840 684930248 /nfs/dbraw/zinc/93/02/48/684930248.db2.gz HIIDKTQJJTXWOL-AWEZNQCLSA-N 1 0 354.248 2.005 20 30 FEEDRO N#Cc1ccc(OC[C@H](O)C[NH2+]CCOC(F)(F)C(F)(F)F)cc1 ZINC000872244165 684931195 /nfs/dbraw/zinc/93/11/95/684931195.db2.gz DORDQVLALGTZPW-LLVKDONJSA-N 1 0 354.275 2.059 20 30 FEEDRO CS[C@H]1CN(S(=O)(=O)c2c(C)cccc2C#N)C[C@@H]1[NH+]1CCCC1 ZINC000872476869 684959934 /nfs/dbraw/zinc/95/99/34/684959934.db2.gz BMMISXQYJRCEJT-HOTGVXAUSA-N 1 0 365.524 2.067 20 30 FEEDRO C[N@@H+]1CCC[C@H]2[C@H]1CCN2S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000872664417 685000719 /nfs/dbraw/zinc/00/07/19/685000719.db2.gz ROUCPEAGACJGDU-CABCVRRESA-N 1 0 373.400 2.434 20 30 FEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCN(C(=O)CCC2CCCCC2)CC1 ZINC000876611907 686228457 /nfs/dbraw/zinc/22/84/57/686228457.db2.gz VOOOPNPPZBBCFM-MRXNPFEDSA-N 1 0 355.910 2.488 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)Nc1cc(C(=O)N2CCCC2)ccc1OC ZINC000876626250 686231468 /nfs/dbraw/zinc/23/14/68/686231468.db2.gz TUQOWMDJGBQSLI-ZDUSSCGKSA-N 1 0 351.834 2.340 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC(C(=O)Nc2cccc(F)c2)CC1 ZINC000876638825 686234467 /nfs/dbraw/zinc/23/44/67/686234467.db2.gz OWLMXXBXJBUQRP-HNNXBMFYSA-N 1 0 353.825 2.473 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H]1CCCN(c2ccccc2Cl)C1=O ZINC000876680668 686242327 /nfs/dbraw/zinc/24/23/27/686242327.db2.gz GVXWFSHIIVGSPN-STQMWFEESA-N 1 0 356.253 2.422 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NCCCNc1ccc(C(F)(F)F)cn1 ZINC000876726348 686254327 /nfs/dbraw/zinc/25/43/27/686254327.db2.gz DGASVQGNERWJKK-NSHDSACASA-N 1 0 350.772 2.489 20 30 FEEDRO C=CCN(CC(=O)OCC)C(=O)c1sc(C2CC[NH2+]CC2)nc1C ZINC000876874234 686286226 /nfs/dbraw/zinc/28/62/26/686286226.db2.gz BCEPBCUMIQBDQX-UHFFFAOYSA-N 1 0 351.472 2.110 20 30 FEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCc2c(ncn2CCc2ccccc2)C1 ZINC000876903123 686291839 /nfs/dbraw/zinc/29/18/39/686291839.db2.gz LBTOKYAVPWNTDJ-MRXNPFEDSA-N 1 0 358.873 2.480 20 30 FEEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]Cc1cccc(NS(C)(=O)=O)c1 ZINC000876907355 686292376 /nfs/dbraw/zinc/29/23/76/686292376.db2.gz QKWCETYQMPLVLG-AWEZNQCLSA-N 1 0 351.472 2.247 20 30 FEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H]1CCCc2ccc(C(=O)OC)cc21 ZINC000876963715 686301779 /nfs/dbraw/zinc/30/17/79/686301779.db2.gz UGDZDZKQPNVDHZ-GOEBONIOSA-N 1 0 350.846 2.479 20 30 FEEDRO N#Cc1cnc(Cl)c(C[NH2+]C[C@@H](O)COc2ccc(F)c(F)c2)c1 ZINC000877018318 686311997 /nfs/dbraw/zinc/31/19/97/686311997.db2.gz MKJAYCOPOSRPTE-GFCCVEGCSA-N 1 0 353.756 2.414 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC(NC(=O)c2oc(C)cc2C)CC1 ZINC000877082111 686323190 /nfs/dbraw/zinc/32/31/90/686323190.db2.gz WGKUUFKANXCXGL-AWEZNQCLSA-N 1 0 353.850 2.087 20 30 FEEDRO C=CCNC(=O)C[NH2+][C@@H]1CC[C@@H]2[C@@H](CCCN2C(=O)OC(C)(C)C)C1 ZINC000877141286 686331652 /nfs/dbraw/zinc/33/16/52/686331652.db2.gz GOOZGTVUOAORFS-ARFHVFGLSA-N 1 0 351.491 2.446 20 30 FEEDRO C=C(Cl)C[C@H](NC(=O)c1ccc2c(c1)CC[NH2+]CC2)C(=O)OCC ZINC000877144655 686332330 /nfs/dbraw/zinc/33/23/30/686332330.db2.gz RSFXHXDLAPDLPN-INIZCTEOSA-N 1 0 350.846 2.179 20 30 FEEDRO C[C@@H]1C[N@@H+](C[C@H](O)c2ccc(Br)cc2)C[C@H](C)N1CC#N ZINC000878771354 686655379 /nfs/dbraw/zinc/65/53/79/686655379.db2.gz JNMDPKOAVPWZMV-ZENOOKHLSA-N 1 0 352.276 2.401 20 30 FEEDRO CN(C)S(=O)(=O)c1cccc(C[N@H+](C)CCc2cccc(C#N)c2)c1 ZINC000879432034 686820686 /nfs/dbraw/zinc/82/06/86/686820686.db2.gz AESARJDHJMNKQK-UHFFFAOYSA-N 1 0 357.479 2.483 20 30 FEEDRO C[C@@H]1C[NH+](CCCNC(=O)Nc2cc(C#N)c(F)cc2F)C[C@@H](C)O1 ZINC000880716714 687078215 /nfs/dbraw/zinc/07/82/15/687078215.db2.gz RLYJKRVEFXWSOW-VXGBXAGGSA-N 1 0 352.385 2.457 20 30 FEEDRO C=CCCc1ccc(S(=O)(=O)N2CCOC3(CC[NH+](C)CC3)C2)cc1 ZINC000882311299 687345207 /nfs/dbraw/zinc/34/52/07/687345207.db2.gz JTMZBDSZAGIKPK-UHFFFAOYSA-N 1 0 364.511 2.291 20 30 FEEDRO CCC1([NH+]2CCCCC2)CCN(S(=O)(=O)N(C)C[C@@H](C)C#N)CC1 ZINC000882618634 687410585 /nfs/dbraw/zinc/41/05/85/687410585.db2.gz XBYCWKOOHXFOMH-INIZCTEOSA-N 1 0 356.536 2.053 20 30 FEEDRO N#Cc1cc(N2CCC[C@H]([NH2+]C3CCOCC3)C2)ncc1Br ZINC000882727580 687458194 /nfs/dbraw/zinc/45/81/94/687458194.db2.gz ZYIKEFVOCKWAIU-AWEZNQCLSA-N 1 0 365.275 2.453 20 30 FEEDRO CC(C)[NH+]1CCN(C(=O)Nc2ccc(Br)c(C#N)n2)CC1 ZINC000883078185 687557943 /nfs/dbraw/zinc/55/79/43/687557943.db2.gz JTIIQEODAZJSQW-UHFFFAOYSA-N 1 0 352.236 2.274 20 30 FEEDRO N#Cc1nc(NC(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)ccc1Br ZINC000883086641 687560243 /nfs/dbraw/zinc/56/02/43/687560243.db2.gz ATMXDXZDDMDMGO-LLVKDONJSA-N 1 0 364.247 2.322 20 30 FEEDRO C[NH+](C)C[C@@H]1CCN(C(=O)Nc2ccc(Br)c(C#N)n2)C1 ZINC000883089038 687561276 /nfs/dbraw/zinc/56/12/76/687561276.db2.gz YUNDHQDZNJHIGR-JTQLQIEISA-N 1 0 352.236 2.131 20 30 FEEDRO C[C@H]1CCC[N@@H+]1CCNC(=O)Nc1ccc(Br)c(C#N)n1 ZINC000883092938 687562214 /nfs/dbraw/zinc/56/22/14/687562214.db2.gz DRIRBJQJDPCOPB-JTQLQIEISA-N 1 0 352.236 2.322 20 30 FEEDRO C=CCC[C@H]([NH2+]CCNS(=O)(=O)Cc1ccccc1)[C@H]1CCCO1 ZINC000883175446 687582070 /nfs/dbraw/zinc/58/20/70/687582070.db2.gz HKJDTCCKSDTKMB-ZWKOTPCHSA-N 1 0 352.500 2.209 20 30 FEEDRO [NH3+]CCCN(CC(F)(F)F)S(=O)(=O)c1c(F)c(F)cc(F)c1F ZINC000883470714 687639262 /nfs/dbraw/zinc/63/92/62/687639262.db2.gz FBFBJKMXHWNPKA-UHFFFAOYSA-N 1 0 368.274 2.145 20 30 FEEDRO N#C[C@@H]1C[NH2+]CC12CC(C(=O)NCc1ccc(OC(F)(F)F)cc1)C2 ZINC000884063533 687782186 /nfs/dbraw/zinc/78/21/86/687782186.db2.gz CTFWUEWERLPNLJ-MFOWVQHXSA-N 1 0 353.344 2.341 20 30 FEEDRO CN(C)C(=O)c1ccc(NC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)cc1Cl ZINC000884100913 687789201 /nfs/dbraw/zinc/78/92/01/687789201.db2.gz JBVIPWRPKCCNMD-LASWEOPPSA-N 1 0 360.845 2.120 20 30 FEEDRO C=C(C[NH+](C)C)C(=O)N1CCC[C@@](O)(c2ccc(Br)cc2)C1 ZINC000884967926 687978067 /nfs/dbraw/zinc/97/80/67/687978067.db2.gz JGAMNWAMDPUAEQ-KRWDZBQOSA-N 1 0 367.287 2.377 20 30 FEEDRO COC[C@]1(C(=O)OC(C)(C)C)CC[N@H+](C[C@@H](O)CC2(C#N)CCC2)C1 ZINC000886305805 688228709 /nfs/dbraw/zinc/22/87/09/688228709.db2.gz QUUZHFOQVUPCIN-KXBFYZLASA-N 1 0 352.475 2.111 20 30 FEEDRO C#CCN(C(=O)c1cnn(C(C)C)c1Br)C1CC[NH+](C)CC1 ZINC000886572366 688278382 /nfs/dbraw/zinc/27/83/82/688278382.db2.gz JEXKEWRVWIQKAG-UHFFFAOYSA-N 1 0 367.291 2.396 20 30 FEEDRO C#CCN(C(=O)c1nc(Br)sc1C)C1CC[NH+](C)CC1 ZINC000886577312 688278686 /nfs/dbraw/zinc/27/86/86/688278686.db2.gz DGSYAWPKQWFUDK-UHFFFAOYSA-N 1 0 356.289 2.384 20 30 FEEDRO C#CCN(C(=O)C(=O)c1ccc(Br)cc1)C1CC[NH+](C)CC1 ZINC000886581394 688279773 /nfs/dbraw/zinc/27/97/73/688279773.db2.gz WDEYETYOJLEMFW-UHFFFAOYSA-N 1 0 363.255 2.188 20 30 FEEDRO C#CCN(C(=O)[C@@H](C)CN(C)C(=O)OC(C)(C)C)C1CC[NH+](C)CC1 ZINC000886581144 688279816 /nfs/dbraw/zinc/27/98/16/688279816.db2.gz LBVCAMZZZWBOSO-HNNXBMFYSA-N 1 0 351.491 2.045 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2CCCC[C@@]3(CC[NH2+]C3)C2)cc1Cl ZINC000886899555 688336490 /nfs/dbraw/zinc/33/64/90/688336490.db2.gz OFPVXNUCVGMDCU-INIZCTEOSA-N 1 0 353.875 2.366 20 30 FEEDRO CN(Cc1cc(C#N)cs1)C(=O)[C@@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000887965636 688527361 /nfs/dbraw/zinc/52/73/61/688527361.db2.gz KPXCWSMBEBCPDQ-IAGOWNOFSA-N 1 0 357.483 2.047 20 30 FEEDRO C=CCOc1ccc(Br)cc1NC(=O)NCC[N@H+](C)CCO ZINC000888405285 688605619 /nfs/dbraw/zinc/60/56/19/688605619.db2.gz NISJECBJPZKHBW-UHFFFAOYSA-N 1 0 372.263 2.060 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)N1CCC[C@@]12CCN(C(=O)OC(C)(C)C)C2 ZINC000891020245 689002965 /nfs/dbraw/zinc/00/29/65/689002965.db2.gz MOLWZWVSRMJFLP-IBGZPJMESA-N 1 0 351.491 2.496 20 30 FEEDRO N#Cc1csc(CNC(=O)NC2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000891444987 689063046 /nfs/dbraw/zinc/06/30/46/689063046.db2.gz UILQIRPXAKTQSN-UHFFFAOYSA-N 1 0 355.467 2.479 20 30 FEEDRO C[NH+](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(C#N)ccc1F ZINC000891456252 689064033 /nfs/dbraw/zinc/06/40/33/689064033.db2.gz MFKABCGKAPWSHM-AWEZNQCLSA-N 1 0 350.394 2.091 20 30 FEEDRO C[N@@H+]1C[C@H]2CCN(C(=O)NCC#Cc3cccc(C(F)(F)F)c3)[C@H]2C1 ZINC000891717300 689096750 /nfs/dbraw/zinc/09/67/50/689096750.db2.gz COQKUZDAVJSKTF-ZBFHGGJFSA-N 1 0 351.372 2.402 20 30 FEEDRO C=C(C)C[C@@H](NC(=O)CC1([NH+]2CCOCC2)CCCC1)C(=O)OCC ZINC000893547666 689365130 /nfs/dbraw/zinc/36/51/30/689365130.db2.gz KONRONCWJYLOLW-MRXNPFEDSA-N 1 0 352.475 2.036 20 30 FEEDRO C=CCC[C@H](CO)[NH2+][C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C12CCOCC2 ZINC000894770006 689592869 /nfs/dbraw/zinc/59/28/69/689592869.db2.gz RXJDKDUZIIQANM-BZUAXINKSA-N 1 0 354.491 2.366 20 30 FEEDRO COC(=O)[C@@H]1[C@H](C[NH2+]C2(c3ccc(C#N)cc3)CCOCC2)C1(F)F ZINC000895405575 689710468 /nfs/dbraw/zinc/71/04/68/689710468.db2.gz LKGAKIMQTGFGPP-GJZGRUSLSA-N 1 0 350.365 2.208 20 30 FEEDRO C=C(C)COc1cc(C[NH2+]CCS(=O)(=O)N2CCCC2)ccc1OC ZINC000897832731 690087987 /nfs/dbraw/zinc/08/79/87/690087987.db2.gz XPWNFWQQURZQLF-UHFFFAOYSA-N 1 0 368.499 2.165 20 30 FEEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@H]2CCS(=O)(=O)C3(CC(C(=O)OC)C3)C2)C1 ZINC000898486653 690191192 /nfs/dbraw/zinc/19/11/92/690191192.db2.gz FHTCGSVYGNQYIW-HCBPCCMXSA-N 1 0 355.500 2.220 20 30 FEEDRO C#CCN(C(=O)C[N@@H+](C)C(C)C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000899270384 690328403 /nfs/dbraw/zinc/32/84/03/690328403.db2.gz BWONYWSNIPMWRZ-UHFFFAOYSA-N 1 0 351.491 2.188 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)N1CSC[C@H]1C(=O)Nc1ccccc1F ZINC000900534276 690529452 /nfs/dbraw/zinc/52/94/52/690529452.db2.gz LQXVDYIYSGUFGJ-HNNXBMFYSA-N 1 0 351.447 2.174 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)[C@H](O)c2ccccc2C(F)(F)F)CC1 ZINC000900797548 690563261 /nfs/dbraw/zinc/56/32/61/690563261.db2.gz GPSBAWOCRSVTEH-MRXNPFEDSA-N 1 0 354.372 2.343 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)Nc1cccc(CS(=O)(=O)N[C@H](C)CC)c1 ZINC000901240129 690628984 /nfs/dbraw/zinc/62/89/84/690628984.db2.gz BQNCQHFQUMGWRG-OAHLLOKOSA-N 1 0 367.515 2.351 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1 ZINC000901271349 690631681 /nfs/dbraw/zinc/63/16/81/690631681.db2.gz TXVZGOHXUUGKEM-ROUUACIJSA-N 1 0 365.905 2.336 20 30 FEEDRO CCOC(=O)c1sc(NC(=O)COC2CC[NH+](C)CC2)c(C#N)c1C ZINC000901285816 690632797 /nfs/dbraw/zinc/63/27/97/690632797.db2.gz KYMGWLYKDNHZAV-UHFFFAOYSA-N 1 0 365.455 2.154 20 30 FEEDRO CC[C@@H]([NH2+]CCS(=O)(=O)NC[C@H]1CCCCO1)c1cccc(C#N)c1 ZINC000902863397 690814715 /nfs/dbraw/zinc/81/47/15/690814715.db2.gz YPTNVFCFGXETTF-QZTJIDSGSA-N 1 0 365.499 2.087 20 30 FEEDRO C[C@@H]([NH3+])[C@H]1CCCN(S(=O)(=O)c2ccc(Br)c(C#N)c2)C1 ZINC000903487242 690899346 /nfs/dbraw/zinc/89/93/46/690899346.db2.gz UQLRNAUFRLCZBK-MNOVXSKESA-N 1 0 372.288 2.069 20 30 FEEDRO CCC1([NH3+])CCN(S(=O)(=O)c2ccc(Br)c(C#N)c2)CC1 ZINC000903516806 690907552 /nfs/dbraw/zinc/90/75/52/690907552.db2.gz AESILUVKLVSXST-UHFFFAOYSA-N 1 0 372.288 2.213 20 30 FEEDRO Cc1cc(C#N)cc(C)c1CS(=O)(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000903522219 690910171 /nfs/dbraw/zinc/91/01/71/690910171.db2.gz QAGDITLTJAQHOP-QZTJIDSGSA-N 1 0 361.511 2.326 20 30 FEEDRO Cc1ccc(C#N)cc1S(=O)(=O)N1C[C@@H](C[NH3+])Cc2cc(F)ccc21 ZINC000903588878 690933181 /nfs/dbraw/zinc/93/31/81/690933181.db2.gz OPHIKPHEWOLKOI-CQSZACIVSA-N 1 0 359.426 2.332 20 30 FEEDRO N#Cc1cc(S(=O)(=O)N2CC[C@H]3CC[C@@]32C[NH3+])ccc1C(F)(F)F ZINC000903590720 690934037 /nfs/dbraw/zinc/93/40/37/690934037.db2.gz YXCZWHYRGUMUSJ-BXUZGUMPSA-N 1 0 359.373 2.079 20 30 FEEDRO CC[C@](O)(C[NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O)C(F)(F)F ZINC000905202433 691079598 /nfs/dbraw/zinc/07/95/98/691079598.db2.gz LQLMKVALERDGQW-HOCLYGCPSA-N 1 0 355.360 2.347 20 30 FEEDRO C=C(C)C[C@H](CO)[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000905455233 691121078 /nfs/dbraw/zinc/12/10/78/691121078.db2.gz XVGJCVHNSFYKQV-KGLIPLIRSA-N 1 0 362.239 2.245 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2C[C@@H]2CNC(=O)OC(C)(C)C)CC1 ZINC000906591714 691289224 /nfs/dbraw/zinc/28/92/24/691289224.db2.gz FLBBKLNCLHNQON-GDBMZVCRSA-N 1 0 351.491 2.304 20 30 FEEDRO CO[C@@H](C(=O)NC1(C#N)CC[NH+](C)CC1)c1ccc(Br)s1 ZINC000906601320 691289916 /nfs/dbraw/zinc/28/99/16/691289916.db2.gz QHQWMYUSSMLYMZ-GFCCVEGCSA-N 1 0 372.288 2.302 20 30 FEEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000906725133 691306881 /nfs/dbraw/zinc/30/68/81/691306881.db2.gz SVLJBOBLHRHHTE-GUIRCDHDSA-N 1 0 358.467 2.028 20 30 FEEDRO C#Cc1ccc(S(=O)(=O)N[C@H]2CC[N@@H+](CCCOCC)C[C@H]2C)cc1 ZINC000906948056 691351602 /nfs/dbraw/zinc/35/16/02/691351602.db2.gz RBVQHSKVZONUGU-APWZRJJASA-N 1 0 364.511 2.083 20 30 FEEDRO C[C@@H]1C[C@H](NS(=O)(=O)c2ccc(Br)c(C#N)c2)CC[N@@H+]1C ZINC000906988066 691362343 /nfs/dbraw/zinc/36/23/43/691362343.db2.gz OUOPSLGJEVVOHX-ZYHUDNBSSA-N 1 0 372.288 2.082 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)Nc1cc(Cl)cc(C(=O)N(C)C)c1OC ZINC000908090686 691611960 /nfs/dbraw/zinc/61/19/60/691611960.db2.gz DXBRDNFUTTZYTO-UHFFFAOYSA-N 1 0 353.850 2.497 20 30 FEEDRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nccc(OC)c1C#N)C2 ZINC001164814368 720100901 /nfs/dbraw/zinc/10/09/01/720100901.db2.gz SDAGLHRWHIGOES-OXQOHEQNSA-N 1 0 356.470 2.147 20 30 FEEDRO Cc1ccc(C#N)c(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164822629 720303506 /nfs/dbraw/zinc/30/35/06/720303506.db2.gz NTDMVMAYUXPQIQ-MOPGFXCFSA-N 1 0 367.497 2.173 20 30 FEEDRO N#Cc1cc(Cl)nc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c1 ZINC001164867945 721039632 /nfs/dbraw/zinc/03/96/32/721039632.db2.gz LDJSIMYTKWMVNQ-SJORKVTESA-N 1 0 369.856 2.481 20 30 FEEDRO N#Cc1cnc2cc[nH]c(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)c1-2 ZINC001164880418 721127666 /nfs/dbraw/zinc/12/76/66/721127666.db2.gz WLENDNSNJJULAX-MSOLQXFVSA-N 1 0 374.448 2.309 20 30 FEEDRO Cc1cc(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)ncc1C#N ZINC001164892491 721404140 /nfs/dbraw/zinc/40/41/40/721404140.db2.gz YKPSUCLYMANKFH-PZJWPPBQSA-N 1 0 369.513 2.027 20 30 FEEDRO Cc1ccnc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c1C#N ZINC001164980690 722103610 /nfs/dbraw/zinc/10/36/10/722103610.db2.gz JYCGMPJYFUEBHE-UYAOXDASSA-N 1 0 363.465 2.384 20 30 FEEDRO CC(C)[C@H]1C[NH2+]CCN1C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 ZINC000528687587 829519392 /nfs/dbraw/zinc/51/93/92/829519392.db2.gz PMXPTLUAXBFTLH-MRXNPFEDSA-N 1 0 356.405 2.345 20 30 FEEDRO Cc1ccc([C@@H](CNC(=O)CNc2ccc(C#N)cn2)[NH+]2CCCC2)o1 ZINC000497868529 883798265 /nfs/dbraw/zinc/79/82/65/883798265.db2.gz BFWGKURDGRVKMG-MRXNPFEDSA-N 1 0 353.426 2.220 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H](c2ccc(Cl)cc2)N(C)C)c1C#N ZINC000521643296 887808763 /nfs/dbraw/zinc/80/87/63/887808763.db2.gz BKJUWOAHFUDIHQ-MRXNPFEDSA-N 1 0 374.876 2.328 20 30 FEEDRO CON=CC(=O)Nc1cc(Br)ccc1N(C)CC[NH+](C)C ZINC000819736437 675312538 /nfs/dbraw/zinc/31/25/38/675312538.db2.gz JCZHGIIEZBGCJU-UHFFFAOYSA-N 1 0 357.252 2.018 20 30 FEEDRO CC(C)NC(=O)C[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000007923948 539471012 /nfs/dbraw/zinc/47/10/12/539471012.db2.gz VSFXTIHTNQSYNZ-UHFFFAOYSA-N 1 0 362.499 2.284 20 30 FEEDRO C[C@@](C#N)(NC(=O)CN1CCC[N@H+](Cc2ccc(F)cc2)CC1)C1CC1 ZINC000022983192 539704348 /nfs/dbraw/zinc/70/43/48/539704348.db2.gz KIOVSQXDXVPSTC-FQEVSTJZSA-N 1 0 358.461 2.142 20 30 FEEDRO C=CCN1C(=O)c2ccc(C(=O)NCCC[NH+]3CCC(C)CC3)cc2C1=O ZINC000024316522 539729293 /nfs/dbraw/zinc/72/92/93/539729293.db2.gz FJSNKNUARBAPOY-UHFFFAOYSA-N 1 0 369.465 2.320 20 30 FEEDRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)COc2ccc(C#N)cc2Cl)C1 ZINC000028141959 539826748 /nfs/dbraw/zinc/82/67/48/539826748.db2.gz HLGBBQJMIVMMSK-OAHLLOKOSA-N 1 0 365.861 2.063 20 30 FEEDRO N#Cc1ccc(C[N@H+]2CCCN(CC(=O)NCc3ccccc3)CC2)cc1 ZINC000028960574 539840083 /nfs/dbraw/zinc/84/00/83/539840083.db2.gz FWGJPAMRGNIOLT-UHFFFAOYSA-N 1 0 362.477 2.382 20 30 FEEDRO N#Cc1cccc(NC(=O)CC[NH+]2CCC(C(=O)N3CCCC3)CC2)c1 ZINC000041896866 540039024 /nfs/dbraw/zinc/03/90/24/540039024.db2.gz UWVJKTJIGRDOJD-UHFFFAOYSA-N 1 0 354.454 2.221 20 30 FEEDRO CNC(=O)C1CC[NH+]([C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)CC1 ZINC000042567016 540066839 /nfs/dbraw/zinc/06/68/39/540066839.db2.gz DCHIMDZETBTQMQ-KRWDZBQOSA-N 1 0 370.497 2.397 20 30 FEEDRO C[NH+](C)Cc1cccc(NC(=O)N2CCN(c3cc(C#N)ccn3)CC2)c1 ZINC000044277198 540121968 /nfs/dbraw/zinc/12/19/68/540121968.db2.gz PKRWRDOSZFGSLN-UHFFFAOYSA-N 1 0 364.453 2.369 20 30 FEEDRO COc1cc(/C=C/C(=O)NCC[N@@H+]2CCC[C@H](C)C2)ccc1OCC#N ZINC000046861995 540274280 /nfs/dbraw/zinc/27/42/80/540274280.db2.gz QONRVEWDVYGFKB-BVBGJJFLSA-N 1 0 357.454 2.459 20 30 FEEDRO C=CCNC(=O)NC(=O)C[NH2+]C(C)(C)c1ccc(Br)cc1 ZINC000047258101 540298938 /nfs/dbraw/zinc/29/89/38/540298938.db2.gz VQPLKWAOGCTOOR-UHFFFAOYSA-N 1 0 354.248 2.286 20 30 FEEDRO CCNC(=O)C[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000047262861 540299821 /nfs/dbraw/zinc/29/98/21/540299821.db2.gz WPYXOWXUSMTICC-UHFFFAOYSA-N 1 0 362.499 2.285 20 30 FEEDRO CCC(CC)[C@@H](CNC(=O)NCc1ccc(C#N)cc1)[NH+]1CCOCC1 ZINC000048504337 540365010 /nfs/dbraw/zinc/36/50/10/540365010.db2.gz HKLFFGGUOYKFJE-LJQANCHMSA-N 1 0 358.486 2.494 20 30 FEEDRO CCc1ccc([C@@H](CNC(=O)C(=O)Nc2ccc(C#N)cc2)[NH+](C)C)cc1 ZINC000048846131 540375352 /nfs/dbraw/zinc/37/53/52/540375352.db2.gz HQTUKWGXCYOTAI-LJQANCHMSA-N 1 0 364.449 2.478 20 30 FEEDRO CCCCNC(=O)[C@@H]1CCC[N@H+](C[C@H](O)COc2ccc(CC#N)cc2)C1 ZINC000051581394 540438587 /nfs/dbraw/zinc/43/85/87/540438587.db2.gz PPCSUGZUBPJMGB-MOPGFXCFSA-N 1 0 373.497 2.121 20 30 FEEDRO CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCC(C(=O)NCc2ccccc2)CC1 ZINC000051955393 540448900 /nfs/dbraw/zinc/44/89/00/540448900.db2.gz STSOKRPJUTYELK-QGZVFWFLSA-N 1 0 370.497 2.023 20 30 FEEDRO CC(=O)NCC1CC[NH+](CCC(=O)Nc2sc3c(c2C#N)CCC3)CC1 ZINC000052848999 540493185 /nfs/dbraw/zinc/49/31/85/540493185.db2.gz GVKUIPBTOCVVMZ-UHFFFAOYSA-N 1 0 374.510 2.285 20 30 FEEDRO C=CCNC(=O)[C@@H](C)[NH+]1CCC(C(=O)Nc2cc(Cl)ccc2O)CC1 ZINC000053019794 540505458 /nfs/dbraw/zinc/50/54/58/540505458.db2.gz GWGYCWUQIHKUKS-GFCCVEGCSA-N 1 0 365.861 2.387 20 30 FEEDRO C[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cn1 ZINC000053745600 540552238 /nfs/dbraw/zinc/55/22/38/540552238.db2.gz KDAONEQPBLESJH-HNNXBMFYSA-N 1 0 365.437 2.111 20 30 FEEDRO C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@H](C(=O)Nc2cccc(C)n2)C1 ZINC000054203968 540574958 /nfs/dbraw/zinc/57/49/58/540574958.db2.gz RXOPKRRWNCYOCH-KRWDZBQOSA-N 1 0 356.470 2.241 20 30 FEEDRO C[C@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)CCOc1cccc(C#N)c1 ZINC000057843610 540818977 /nfs/dbraw/zinc/81/89/77/540818977.db2.gz FRWIBJTUJLVELN-CQSZACIVSA-N 1 0 359.451 2.277 20 30 FEEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000059890725 540866388 /nfs/dbraw/zinc/86/63/88/540866388.db2.gz HHLLHRGBOAPSHP-SZNDQCEHSA-N 1 0 372.513 2.423 20 30 FEEDRO C=CCc1ccc(OCC(=O)Nc2cnn(CC[NH+](C)C)c2)c(OC)c1 ZINC000061635933 541135738 /nfs/dbraw/zinc/13/57/38/541135738.db2.gz QPJVGZMICHKZJQ-UHFFFAOYSA-N 1 0 358.442 2.199 20 30 FEEDRO C[C@@H](NC(=O)OC(C)(C)C)C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000065930348 541272518 /nfs/dbraw/zinc/27/25/18/541272518.db2.gz GPSHQVWGXFFPDV-OAHLLOKOSA-N 1 0 374.485 2.362 20 30 FEEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)S(=O)(=O)N1CCCCCC1 ZINC000065975220 541276306 /nfs/dbraw/zinc/27/63/06/541276306.db2.gz FZCOVLFEXTVISA-UHFFFAOYSA-N 1 0 364.515 2.043 20 30 FEEDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1ccc(-n2ncc(C#N)c2N)cc1 ZINC000066241216 541294182 /nfs/dbraw/zinc/29/41/82/541294182.db2.gz MIAYRMYCROONKW-LSDHHAIUSA-N 1 0 366.469 2.176 20 30 FEEDRO CC(C)C[NH+]1CCC(NC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)CC1 ZINC000066241314 541294322 /nfs/dbraw/zinc/29/43/22/541294322.db2.gz UPTPIFASAXKJFE-UHFFFAOYSA-N 1 0 366.469 2.176 20 30 FEEDRO C=C(C)COc1cccc(NC(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)c1 ZINC000067568002 541482071 /nfs/dbraw/zinc/48/20/71/541482071.db2.gz XIOBLOATZGIGJR-KRWDZBQOSA-N 1 0 357.454 2.277 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N2CCC[C@@H](C(=O)NC3CCCCC3)C2)CC1 ZINC000068279872 541571868 /nfs/dbraw/zinc/57/18/68/541571868.db2.gz NZDGTQRMMONXEI-GOSISDBHSA-N 1 0 359.514 2.019 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N2CCC(c3n[nH]c(=S)n3CC)CC2)CC1 ZINC000068452487 541594504 /nfs/dbraw/zinc/59/45/04/541594504.db2.gz RRQJQRYAMIVRTE-UHFFFAOYSA-N 1 0 361.515 2.012 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000069111949 541658527 /nfs/dbraw/zinc/65/85/27/541658527.db2.gz SFUCMXYWVFDETC-GOSISDBHSA-N 1 0 356.470 2.132 20 30 FEEDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000069045498 541652585 /nfs/dbraw/zinc/65/25/85/541652585.db2.gz YUIMPEOANUNROX-ZDUSSCGKSA-N 1 0 362.861 2.387 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccccc2SCCC(N)=O)CC1 ZINC000069339049 541679070 /nfs/dbraw/zinc/67/90/70/541679070.db2.gz FHVIHHCURKLBLC-UHFFFAOYSA-N 1 0 362.499 2.426 20 30 FEEDRO N#Cc1ccc(N2CCC[C@@H](NC(=O)NCC[NH+]3CCCCC3)C2)c(F)c1 ZINC000069377805 541681729 /nfs/dbraw/zinc/68/17/29/541681729.db2.gz KSNIVRPZAQNLCU-QGZVFWFLSA-N 1 0 373.476 2.451 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)CCc1nnc(-c2ccsc2)o1 ZINC000069576405 541698598 /nfs/dbraw/zinc/69/85/98/541698598.db2.gz RIZQVNUOMUUHQO-UHFFFAOYSA-N 1 0 361.471 2.425 20 30 FEEDRO C=CCOc1ccc(C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1OC ZINC000069746629 541710215 /nfs/dbraw/zinc/71/02/15/541710215.db2.gz KIKAVBVMQDBDGU-KRWDZBQOSA-N 1 0 374.481 2.444 20 30 FEEDRO NC(=[NH+]OCc1ccc([N+](=O)[O-])cc1)c1ccc(N2CCC(O)CC2)cc1 ZINC000072921402 541894117 /nfs/dbraw/zinc/89/41/17/541894117.db2.gz MRCMJQVTIIDCIV-UHFFFAOYSA-N 1 0 370.409 2.393 20 30 FEEDRO Cc1sc2nc(CN3CC[NH+](CCCCC#N)CC3)[nH]c(=O)c2c1C ZINC000072981896 541903824 /nfs/dbraw/zinc/90/38/24/541903824.db2.gz BVTTZIARLSOWSZ-UHFFFAOYSA-N 1 0 359.499 2.413 20 30 FEEDRO N#CCCN(Cc1cccnc1)C(=O)c1cnn(CC[NH+]2CCCCC2)c1 ZINC000074249002 542058588 /nfs/dbraw/zinc/05/85/88/542058588.db2.gz JQCYLKGWCDKLGX-UHFFFAOYSA-N 1 0 366.469 2.320 20 30 FEEDRO CCC[N@@H+]1CCCN(CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CC1 ZINC000074289813 542065009 /nfs/dbraw/zinc/06/50/09/542065009.db2.gz QKRYYTBZUUTYBU-UHFFFAOYSA-N 1 0 366.469 2.100 20 30 FEEDRO C[NH+]1CCC(C#N)(NC(=O)CCNC(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000075939794 542216726 /nfs/dbraw/zinc/21/67/26/542216726.db2.gz LLCXRFPJNMDYOD-UHFFFAOYSA-N 1 0 370.497 2.208 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cccc(-c3cnco3)c2)CC1 ZINC000076512745 542287653 /nfs/dbraw/zinc/28/76/53/542287653.db2.gz RHAPHVMYGHVLQV-UHFFFAOYSA-N 1 0 354.410 2.047 20 30 FEEDRO C=CCOc1cccc(NC(=O)C(=O)N2CC[C@@H](C[N@@H+](C)CCC)C2)c1 ZINC000076659599 542307892 /nfs/dbraw/zinc/30/78/92/542307892.db2.gz KOLYZVRMZQTJIZ-INIZCTEOSA-N 1 0 359.470 2.380 20 30 FEEDRO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CC[NH+](CC2CC2)CC1 ZINC000077196209 542353988 /nfs/dbraw/zinc/35/39/88/542353988.db2.gz NDOVNSRBEAZWIH-MRXNPFEDSA-N 1 0 358.461 2.488 20 30 FEEDRO N#Cc1cc(NC(=O)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)ccc1F ZINC000077538131 542394400 /nfs/dbraw/zinc/39/44/00/542394400.db2.gz ASILWSWLIXOICF-QGZVFWFLSA-N 1 0 366.396 2.027 20 30 FEEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)NCC1CC[NH+](C)CC1 ZINC000077823585 542424500 /nfs/dbraw/zinc/42/45/00/542424500.db2.gz LSYJUJLTSMCOKT-AWEZNQCLSA-N 1 0 374.510 2.335 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH+]1CCC(CNC(C)=O)CC1 ZINC000079997641 542556661 /nfs/dbraw/zinc/55/66/61/542556661.db2.gz FAKNZFDZIRNGCF-OAHLLOKOSA-N 1 0 363.527 2.499 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@@H]1CCCn2c(C)nnc21)C(C)C ZINC000080077624 542563160 /nfs/dbraw/zinc/56/31/60/542563160.db2.gz FEZKQODXFWXXKO-IAGOWNOFSA-N 1 0 360.506 2.419 20 30 FEEDRO CCO[C@H](C)c1noc(CN2CCC[N@H+](CCCSCC#N)CC2)n1 ZINC000080629396 542598263 /nfs/dbraw/zinc/59/82/63/542598263.db2.gz KQKZDHRHHLKVNV-OAHLLOKOSA-N 1 0 367.519 2.322 20 30 FEEDRO [NH2+]=C(NC[C@@H]1CCN(CC(F)(F)F)C1)N[C@H]1CCOc2ccccc21 ZINC000083032148 542690382 /nfs/dbraw/zinc/69/03/82/542690382.db2.gz AEAUWNCWIPPCAM-JSGCOSHPSA-N 1 0 356.392 2.299 20 30 FEEDRO COc1ccc(C[N@H+](C)C[C@@H](O)COc2ccc(CC#N)cc2)cc1O ZINC000086169208 542733758 /nfs/dbraw/zinc/73/37/58/542733758.db2.gz FPJPSFRPUPONIU-QGZVFWFLSA-N 1 0 356.422 2.339 20 30 FEEDRO C[NH+]=C(NCc1cnc(N(C)C)n1C)N[C@@H](C)c1ccc(F)c(F)c1 ZINC000087193102 542742816 /nfs/dbraw/zinc/74/28/16/542742816.db2.gz GMBVYOIWJSEDJQ-NSHDSACASA-N 1 0 350.417 2.191 20 30 FEEDRO C#CCOc1ccc([C@H](C)[NH2+][C@H]2CCN(c3cc(C)nn3C)C2=O)cc1 ZINC000090171889 542783949 /nfs/dbraw/zinc/78/39/49/542783949.db2.gz JWPAVFHRJPZSAF-YJBOKZPZSA-N 1 0 352.438 2.197 20 30 FEEDRO N#Cc1ccc(OC2CC[NH+](CCn3cc([N+](=O)[O-])ccc3=O)CC2)cc1 ZINC000090526150 542786038 /nfs/dbraw/zinc/78/60/38/542786038.db2.gz ZJQJCFVIHYXTIV-UHFFFAOYSA-N 1 0 368.393 2.172 20 30 FEEDRO CC[N@@H+]1CCC[C@H]1CNC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000092284411 542853782 /nfs/dbraw/zinc/85/37/82/542853782.db2.gz LEEYDEZJXMBHJY-ADKAHSJRSA-N 1 0 371.485 2.427 20 30 FEEDRO C[N@@H+]1CCC[C@@H]1CNC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000092217299 542849118 /nfs/dbraw/zinc/84/91/18/542849118.db2.gz NOBXMGIEENOMRX-AQFXKWCLSA-N 1 0 357.458 2.037 20 30 FEEDRO C#CCOc1ccccc1C[NH+]1CCC(CNC(=O)c2cnn(C)c2)CC1 ZINC000092759584 542885302 /nfs/dbraw/zinc/88/53/02/542885302.db2.gz UEUJEZHQUXSQON-UHFFFAOYSA-N 1 0 366.465 2.074 20 30 FEEDRO Cc1ccc(CNC(=O)C2CC[NH+](CCC(=O)N(C)CCC#N)CC2)cc1 ZINC000092799001 542887651 /nfs/dbraw/zinc/88/76/51/542887651.db2.gz BUMXJYYAJLLPQU-UHFFFAOYSA-N 1 0 370.497 2.085 20 30 FEEDRO COc1ccc(NC(=[NH2+])NC[C@H]2CCCN(c3ncccn3)C2)cc1OC ZINC000093887792 542944273 /nfs/dbraw/zinc/94/42/73/542944273.db2.gz RCDSUKRODHMEKG-CQSZACIVSA-N 1 0 370.457 2.137 20 30 FEEDRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(-n2ncc(C#N)c2N)cc1 ZINC000104136470 543124201 /nfs/dbraw/zinc/12/42/01/543124201.db2.gz ICYKBRDMHUOTLS-HNNXBMFYSA-N 1 0 366.469 2.320 20 30 FEEDRO Cc1cc2nc(C)c(CCC(=O)N(CCC#N)CCC[NH+](C)C)c(C)n2n1 ZINC000104326711 543128060 /nfs/dbraw/zinc/12/80/60/543128060.db2.gz VNJOMRPKYLYHPH-UHFFFAOYSA-N 1 0 370.501 2.281 20 30 FEEDRO CCOc1ccc(N(CCC#N)C(=O)CN2CCC[N@H+](CC)CC2)cc1 ZINC000104952108 543152213 /nfs/dbraw/zinc/15/22/13/543152213.db2.gz IQZPSDUUUDOXBE-UHFFFAOYSA-N 1 0 358.486 2.360 20 30 FEEDRO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+](C)C[C@@H]1CCCN1c1cccnn1 ZINC000106089297 543193668 /nfs/dbraw/zinc/19/36/68/543193668.db2.gz KFUJRUMCAQDDNX-QAPCUYQASA-N 1 0 364.453 2.276 20 30 FEEDRO N#C[C@@H]1CN(C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)CCO1 ZINC000106329589 543223397 /nfs/dbraw/zinc/22/33/97/543223397.db2.gz XYNBQPAYBBCAMT-QGZVFWFLSA-N 1 0 362.861 2.238 20 30 FEEDRO COc1ccccc1[C@H](CNC(=O)N1CCO[C@H](C#N)C1)[NH+]1CCCCC1 ZINC000106333934 543223496 /nfs/dbraw/zinc/22/34/96/543223496.db2.gz UFSOGTOVMKGGOM-AEFFLSMTSA-N 1 0 372.469 2.156 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC(CC(=O)OCC)CC2)CC1 ZINC000106341109 543224726 /nfs/dbraw/zinc/22/47/26/543224726.db2.gz WZJACWWOMXRJNQ-UHFFFAOYSA-N 1 0 351.491 2.402 20 30 FEEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000106580569 543239722 /nfs/dbraw/zinc/23/97/22/543239722.db2.gz HJVJBIQLOMMLDR-QGZVFWFLSA-N 1 0 360.502 2.029 20 30 FEEDRO N#CC1(C(=O)NCC2CC[NH+](Cc3ccccc3F)CC2)CCOCC1 ZINC000109143449 543315657 /nfs/dbraw/zinc/31/56/57/543315657.db2.gz VDXJHLSTJOMBKK-UHFFFAOYSA-N 1 0 359.445 2.474 20 30 FEEDRO COc1cc(/C=C/C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)ccc1OCC#N ZINC000247464243 549337479 /nfs/dbraw/zinc/33/74/79/549337479.db2.gz RCMMYBSEVCJSMJ-YFZXXLGGSA-N 1 0 355.438 2.306 20 30 FEEDRO C=C(C)COc1cc(C[NH2+][C@@H]2CCN(c3cnn(C)c3)C2=O)ccc1OC ZINC000117948040 543642500 /nfs/dbraw/zinc/64/25/00/543642500.db2.gz FAAYTXAJZQDJRZ-QGZVFWFLSA-N 1 0 370.453 2.279 20 30 FEEDRO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccc(C#N)cc1)c1ccc(F)cc1 ZINC000118092300 543644363 /nfs/dbraw/zinc/64/43/63/543644363.db2.gz NBEIHNLWMJBNKL-QGZVFWFLSA-N 1 0 354.385 2.055 20 30 FEEDRO C=CCOc1cccc(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC000118112030 543645786 /nfs/dbraw/zinc/64/57/86/543645786.db2.gz LHMWLYRQDCWCGI-INIZCTEOSA-N 1 0 359.470 2.427 20 30 FEEDRO C=CC[C@@H](C)NC(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000116971449 543620215 /nfs/dbraw/zinc/62/02/15/543620215.db2.gz BLFPLCBEYJLEDO-QAPCUYQASA-N 1 0 358.486 2.148 20 30 FEEDRO C=CCC[C@@H](O)C[NH+]1CCN(Cc2ccc(OC)c(OC)c2OC)CC1 ZINC000121375521 543693422 /nfs/dbraw/zinc/69/34/22/543693422.db2.gz UHWIQJFFIAZZAP-QGZVFWFLSA-N 1 0 364.486 2.157 20 30 FEEDRO N#Cc1ccsc1NC(=O)CC[NH+]1CCN(c2cccc(O)c2)CC1 ZINC000121499607 543695450 /nfs/dbraw/zinc/69/54/50/543695450.db2.gz INDQILIIDMQHCS-UHFFFAOYSA-N 1 0 356.451 2.476 20 30 FEEDRO N#CC1(C(=O)Nc2ccc(CC[NH+]3CCC(C(N)=O)CC3)cc2)CCCC1 ZINC000119840332 543672565 /nfs/dbraw/zinc/67/25/65/543672565.db2.gz CFJNZOJMMCXALH-UHFFFAOYSA-N 1 0 368.481 2.449 20 30 FEEDRO N#Cc1ccc2ncc(CNc3cccc(C[N@H+]4CCC[C@H]4C(N)=O)c3)n2c1 ZINC000120125055 543676320 /nfs/dbraw/zinc/67/63/20/543676320.db2.gz VXKJCWLEKBQXER-IBGZPJMESA-N 1 0 374.448 2.268 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1ccccc1C(F)(F)F ZINC000122090180 543703259 /nfs/dbraw/zinc/70/32/59/543703259.db2.gz XHJFGURJWJXJJO-UHFFFAOYSA-N 1 0 370.375 2.338 20 30 FEEDRO Cc1ccc(NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C)cc1Cl ZINC000122157754 543703755 /nfs/dbraw/zinc/70/37/55/543703755.db2.gz PMUUJHDPJRQMRH-UHFFFAOYSA-N 1 0 350.850 2.281 20 30 FEEDRO N#Cc1ccc2ncc(C[NH2+]CC3(N4CCCCC4)CCOCC3)n2c1 ZINC000123729697 543779863 /nfs/dbraw/zinc/77/98/63/543779863.db2.gz HAMMJOOIFVWXQA-UHFFFAOYSA-N 1 0 353.470 2.331 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)S(=O)(=O)c1ccccc1C#N ZINC000123229738 543750275 /nfs/dbraw/zinc/75/02/75/543750275.db2.gz LYCRRYLSDRFWQR-UHFFFAOYSA-N 1 0 368.462 2.182 20 30 FEEDRO C[C@@H]1CN(c2ccc(C[NH2+]Cc3cnc4ccc(C#N)cn34)cn2)CCO1 ZINC000123311857 543754037 /nfs/dbraw/zinc/75/40/37/543754037.db2.gz IETJJTXGNADTLP-OAHLLOKOSA-N 1 0 362.437 2.116 20 30 FEEDRO C[C@](C#N)(NC(=O)CN1CCC(c2nc(C(F)(F)F)c[nH]2)CC1)C1CC1 ZINC000125651701 543893858 /nfs/dbraw/zinc/89/38/58/543893858.db2.gz ZTKSVNWKJCHCCK-MRXNPFEDSA-N 1 0 369.391 2.416 20 30 FEEDRO C[C@H]1C[C@H](NC(=O)N2CCCN(c3ccccc3C#N)CC2)C[N@@H+]1C1CC1 ZINC000127901522 544020611 /nfs/dbraw/zinc/02/06/11/544020611.db2.gz GWWNTMNYZDFVOG-WMZOPIPTSA-N 1 0 367.497 2.405 20 30 FEEDRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(c2cc(C#N)ccc2C(F)(F)F)CC1 ZINC000127459905 543994925 /nfs/dbraw/zinc/99/49/25/543994925.db2.gz CDJFCFWXWHRQKG-OAHLLOKOSA-N 1 0 366.387 2.320 20 30 FEEDRO C=CCc1cc(CNC(=O)C[N@H+](C)[C@H]2CCSC2)cc(OC)c1OC ZINC000127593729 544002036 /nfs/dbraw/zinc/00/20/36/544002036.db2.gz LMFHCAFZDQQYEN-INIZCTEOSA-N 1 0 364.511 2.486 20 30 FEEDRO C[C@@H]1C[C@@H](NS(=O)(=O)c2cccc(C#N)c2)C[N@@H+]1Cc1ccccc1 ZINC000128126006 544034399 /nfs/dbraw/zinc/03/43/99/544034399.db2.gz OGTKRJLPHLGITE-CRAIPNDOSA-N 1 0 355.463 2.500 20 30 FEEDRO CCC[C@@H]1CN(C(=O)Cc2cccc(OCC#N)c2)CC[N@@H+]1CCOC ZINC000128139911 544034689 /nfs/dbraw/zinc/03/46/89/544034689.db2.gz WVJZCEZMVBUVDY-GOSISDBHSA-N 1 0 359.470 2.091 20 30 FEEDRO Cc1cccc(NC(=O)C(=O)NC[C@H]2CCCC[N@H+]2CC(C)C)c1C#N ZINC000128526991 544057479 /nfs/dbraw/zinc/05/74/79/544057479.db2.gz OKOSDTIZNOGVTL-MRXNPFEDSA-N 1 0 356.470 2.432 20 30 FEEDRO CCC(=O)N[C@H]1CCC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000130494656 544153435 /nfs/dbraw/zinc/15/34/35/544153435.db2.gz WWTDLDFOXVDZKN-ZDUSSCGKSA-N 1 0 374.510 2.428 20 30 FEEDRO COC(=O)c1cccc(CCNC(=[NH2+])N[C@@H]2CCOc3ccccc32)c1 ZINC000132403057 544230369 /nfs/dbraw/zinc/23/03/69/544230369.db2.gz YNNPYOCOGCTLGX-QGZVFWFLSA-N 1 0 353.422 2.444 20 30 FEEDRO CC[C@H]1CCCCC[N@@H+]1CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 ZINC000150737448 544465620 /nfs/dbraw/zinc/46/56/20/544465620.db2.gz ZRJLXLUYFSELRT-INIZCTEOSA-N 1 0 359.474 2.158 20 30 FEEDRO C=CCN1C(=S)N=NC1c1sc(NC(=O)[C@@H]([NH3+])CC(C)C)nc1C ZINC000150896818 544483744 /nfs/dbraw/zinc/48/37/44/544483744.db2.gz GFEXBBPVYAWSHB-JTQLQIEISA-N 1 0 366.516 2.497 20 30 FEEDRO CC1CC[NH+](CCCCNS(=O)(=O)c2ccc(C#N)cc2F)CC1 ZINC000151071680 544502478 /nfs/dbraw/zinc/50/24/78/544502478.db2.gz UZHBYKAGRDTZCC-UHFFFAOYSA-N 1 0 353.463 2.488 20 30 FEEDRO C=C(C)CN1CCC([NH2+][C@@H](C)c2cccc(S(=O)(=O)NC)c2)CC1 ZINC000153003904 544722013 /nfs/dbraw/zinc/72/20/13/544722013.db2.gz SXCCOJNKJKRHOG-HNNXBMFYSA-N 1 0 351.516 2.286 20 30 FEEDRO CNC(=O)CC1CCN(C(NCc2nc(C(C)(C)C)cs2)=[NH+]C)CC1 ZINC000153065609 544728689 /nfs/dbraw/zinc/72/86/89/544728689.db2.gz WISKZJHNBNAJOM-UHFFFAOYSA-N 1 0 365.547 2.364 20 30 FEEDRO CCOC(=O)NCCCC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000153294229 544757603 /nfs/dbraw/zinc/75/76/03/544757603.db2.gz GAXHQFCKUULSPH-UHFFFAOYSA-N 1 0 372.469 2.119 20 30 FEEDRO N#Cc1ccccc1COc1cccc(CN2CC[NH+](CCO)CC2)c1 ZINC000154557508 544920749 /nfs/dbraw/zinc/92/07/49/544920749.db2.gz SULJSVSRVRSOHQ-UHFFFAOYSA-N 1 0 351.450 2.247 20 30 FEEDRO Cn1cc(C[NH+]2CCC(c3nncn3C)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000179940295 327665480 /nfs/dbraw/zinc/66/54/80/327665480.db2.gz GSIAZBZVTZPMDZ-UHFFFAOYSA-N 1 0 361.453 2.467 20 30 FEEDRO C[C@@H](C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)CN1CCOCC1 ZINC000180233187 327677316 /nfs/dbraw/zinc/67/73/16/327677316.db2.gz KQKNRUQSPYMQLF-INIZCTEOSA-N 1 0 353.470 2.017 20 30 FEEDRO N#Cc1cccnc1-n1cc(NC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)cn1 ZINC000184642074 327877007 /nfs/dbraw/zinc/87/70/07/327877007.db2.gz KVAABEFVJMBZPY-HNNXBMFYSA-N 1 0 365.441 2.089 20 30 FEEDRO CC[NH+](CC)[C@H](CNS(=O)(=O)c1ccc(C#N)o1)Cc1ccccc1 ZINC000553772890 674285278 /nfs/dbraw/zinc/28/52/78/674285278.db2.gz ANMLOLHEAHISJH-INIZCTEOSA-N 1 0 361.467 2.383 20 30 FEEDRO CCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H](C)C[NH+]1CCCCCC1 ZINC000186654858 327973586 /nfs/dbraw/zinc/97/35/86/327973586.db2.gz YXROBFCTHLBYOP-HNNXBMFYSA-N 1 0 372.469 2.276 20 30 FEEDRO C[NH+](C)CCCNC(=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 ZINC000188338569 328081759 /nfs/dbraw/zinc/08/17/59/328081759.db2.gz UROHTQOXBZTBJF-UHFFFAOYSA-N 1 0 366.421 2.357 20 30 FEEDRO C[NH+]1CCC(N(c2ccccc2)S(=O)(=O)c2ccc(C#N)nc2)CC1 ZINC000190384501 328204647 /nfs/dbraw/zinc/20/46/47/328204647.db2.gz FTPOVBMDVJLMBG-UHFFFAOYSA-N 1 0 356.451 2.243 20 30 FEEDRO CCCC[C@@H]1CCC[C@@H]1[NH2+]CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 ZINC000191831108 328284152 /nfs/dbraw/zinc/28/41/52/328284152.db2.gz NJZBSJXCVDMQNG-SJORKVTESA-N 1 0 373.501 2.452 20 30 FEEDRO C[C@@H](c1nnnn1C1CC1)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000191864213 328285584 /nfs/dbraw/zinc/28/55/84/328285584.db2.gz CVJYXINYRVRJGN-HNNXBMFYSA-N 1 0 351.458 2.149 20 30 FEEDRO CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000192505112 328322706 /nfs/dbraw/zinc/32/27/06/328322706.db2.gz RAWDAGPFCMSUKK-UHFFFAOYSA-N 1 0 373.501 2.434 20 30 FEEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)[C@H](C)C1 ZINC000193430372 328374963 /nfs/dbraw/zinc/37/49/63/328374963.db2.gz KTQBOJXSZMRTIA-ZBFHGGJFSA-N 1 0 373.501 2.242 20 30 FEEDRO Cc1nc(C#N)c(N2CCC(C(=O)NCC[C@H](C)[NH+]3CCCCC3)CC2)o1 ZINC000193804858 328396464 /nfs/dbraw/zinc/39/64/64/328396464.db2.gz MDVJMQCJGSNRAN-HNNXBMFYSA-N 1 0 373.501 2.452 20 30 FEEDRO N#Cc1ccc(OCC(=O)NC2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000053990299 324753657 /nfs/dbraw/zinc/75/36/57/324753657.db2.gz WABCKILFTMMRPL-UHFFFAOYSA-N 1 0 350.422 2.113 20 30 FEEDRO Cc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000063815755 324867398 /nfs/dbraw/zinc/86/73/98/324867398.db2.gz GGALSDIGMZIGMQ-OAHLLOKOSA-N 1 0 356.451 2.286 20 30 FEEDRO C[NH+](C)CCN(Cc1ccccc1)C(=O)C(=O)Nc1cccc(C#N)c1 ZINC000080272504 325126395 /nfs/dbraw/zinc/12/63/95/325126395.db2.gz RTOYDBDMOKZZIR-UHFFFAOYSA-N 1 0 350.422 2.087 20 30 FEEDRO COc1cccc([C@@H](CNC(=O)c2cc(C#N)cn2C)[NH+]2CCCC2)c1 ZINC000081566226 325184252 /nfs/dbraw/zinc/18/42/52/325184252.db2.gz PMEVXPRGLJLQLW-LJQANCHMSA-N 1 0 352.438 2.472 20 30 FEEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)CCOC3CCOCC3)CC2)cc1 ZINC000084579767 325239273 /nfs/dbraw/zinc/23/92/73/325239273.db2.gz LWUUYIXHNITBLI-UHFFFAOYSA-N 1 0 371.481 2.178 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)CSc2ccc(OC)cc2)c1C#N ZINC000089673702 325326332 /nfs/dbraw/zinc/32/63/32/325326332.db2.gz PZQQPLDPCYXFTC-UHFFFAOYSA-N 1 0 359.455 2.173 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)Cc2ccccc2OC(C)C)c1C#N ZINC000089676174 325326677 /nfs/dbraw/zinc/32/66/77/325326677.db2.gz FLOAJMPPHISRIJ-UHFFFAOYSA-N 1 0 355.442 2.402 20 30 FEEDRO N#Cc1cccc(NC(=O)NC[C@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)c1 ZINC000089682454 325327099 /nfs/dbraw/zinc/32/70/99/325327099.db2.gz CFMMAJFIGAVFFC-RTBURBONSA-N 1 0 350.422 2.315 20 30 FEEDRO N#Cc1cc(S(=O)(=O)N2CCC[C@H]([NH+]3CCCCC3)C2)ccc1F ZINC000108401313 325641845 /nfs/dbraw/zinc/64/18/45/325641845.db2.gz JCDIMCNZOABTOO-HNNXBMFYSA-N 1 0 351.447 2.336 20 30 FEEDRO CCC[N@H+](CC)CCNC(=O)C(=O)Nc1ccc(OC(C)C)c(C#N)c1 ZINC000119058857 326122682 /nfs/dbraw/zinc/12/26/82/326122682.db2.gz QGVSKKHDXGRBBM-UHFFFAOYSA-N 1 0 360.458 2.132 20 30 FEEDRO Cc1c(CCC(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)cnn1C ZINC000119851370 326205469 /nfs/dbraw/zinc/20/54/69/326205469.db2.gz VZMZCBGETYMJTL-UHFFFAOYSA-N 1 0 353.470 2.123 20 30 FEEDRO CCOCCCNC(=O)C1CC[NH+](Cc2ccc(C#N)cc2OC)CC1 ZINC000120614274 326273281 /nfs/dbraw/zinc/27/32/81/326273281.db2.gz CGWUVXJUUPUYLU-UHFFFAOYSA-N 1 0 359.470 2.322 20 30 FEEDRO C[N@H+](Cc1ncc(-c2ccc(C#N)cc2)o1)C1CCN(S(C)(=O)=O)CC1 ZINC000121655352 326355566 /nfs/dbraw/zinc/35/55/66/326355566.db2.gz YDYBRXHOUVAMJJ-UHFFFAOYSA-N 1 0 374.466 2.069 20 30 FEEDRO COCCCOC1CC[NH+](CCC(=O)Nc2sccc2C#N)CC1 ZINC000122442854 326396928 /nfs/dbraw/zinc/39/69/28/326396928.db2.gz RGZFGFOIDUFDTI-UHFFFAOYSA-N 1 0 351.472 2.466 20 30 FEEDRO N#Cc1ccc2ncc(C[NH2+]Cc3ccc(CN4CCOCC4)cc3)n2c1 ZINC000123185720 326422817 /nfs/dbraw/zinc/42/28/17/326422817.db2.gz GAVNMDXEXHWXJI-UHFFFAOYSA-N 1 0 361.449 2.328 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(F)cc3cccnc32)c1C#N ZINC000133359448 326607355 /nfs/dbraw/zinc/60/73/55/326607355.db2.gz RQYLWNBRCINEQA-UHFFFAOYSA-N 1 0 352.373 2.373 20 30 FEEDRO C[NH+](C)Cc1cc(CNC(=O)C(=O)Nc2ccc(C#N)cc2F)ccc1F ZINC000136298071 326651673 /nfs/dbraw/zinc/65/16/73/326651673.db2.gz HABMBKYYPCNWAY-UHFFFAOYSA-N 1 0 372.375 2.153 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2CCC(CCC[NH+]3CCCC3)CC2)cn1 ZINC000158982724 326915013 /nfs/dbraw/zinc/91/50/13/326915013.db2.gz QMGFIKGQXATULT-UHFFFAOYSA-N 1 0 362.499 2.230 20 30 FEEDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NS(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000162370645 327023969 /nfs/dbraw/zinc/02/39/69/327023969.db2.gz LPSSPJLBBWBLLF-KUHUBIRLSA-N 1 0 373.453 2.496 20 30 FEEDRO CC[NH+](CC)[C@H](CNC(=O)CNC(=O)c1ccc(C#N)cc1)c1ccco1 ZINC000171117290 327119247 /nfs/dbraw/zinc/11/92/47/327119247.db2.gz CEXCCLPHYYGQIH-QGZVFWFLSA-N 1 0 368.437 2.080 20 30 FEEDRO N#Cc1ccccc1N1CCN(C(=O)NC2CC[NH+](CC3CC3)CC2)CC1 ZINC000171186720 327122929 /nfs/dbraw/zinc/12/29/29/327122929.db2.gz HNOQHNLLWKIHIW-UHFFFAOYSA-N 1 0 367.497 2.264 20 30 FEEDRO CC(C)[C@@H](C(=O)N1CCN(c2ccc(C#N)cn2)CC1)[NH+]1CCCCC1 ZINC000171458782 327140783 /nfs/dbraw/zinc/14/07/83/327140783.db2.gz XIAMOWCMPVLVEH-IBGZPJMESA-N 1 0 355.486 2.112 20 30 FEEDRO COc1ccc(C[NH2+]C2CCN(C(=O)c3ccncc3)CC2)cc1C#N ZINC000174285515 327317402 /nfs/dbraw/zinc/31/74/02/327317402.db2.gz PHDHHQSJFWQYLD-UHFFFAOYSA-N 1 0 350.422 2.356 20 30 FEEDRO Cc1cccc(NC(=O)C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)c1C#N ZINC000174562559 327334990 /nfs/dbraw/zinc/33/49/90/327334990.db2.gz AMCYCGZJSZNBOT-SFHVURJKSA-N 1 0 350.422 2.224 20 30 FEEDRO C[NH+](C)C1CCN(C(=O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CC1 ZINC000174739958 327347578 /nfs/dbraw/zinc/34/75/78/327347578.db2.gz LGZWUIMSWYKMFH-UHFFFAOYSA-N 1 0 368.359 2.068 20 30 FEEDRO CC[NH+](CC)[C@H](CNC(=O)C(=O)Nc1ccc(F)cc1C#N)c1ccco1 ZINC000175970975 327425348 /nfs/dbraw/zinc/42/53/48/327425348.db2.gz YWEDCXUFPJQIHH-MRXNPFEDSA-N 1 0 372.400 2.428 20 30 FEEDRO C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C1 ZINC000177534259 327529091 /nfs/dbraw/zinc/52/90/91/327529091.db2.gz HKCSXQAFPALCGP-CYBMUJFWSA-N 1 0 368.359 2.068 20 30 FEEDRO Cc1cc(C#N)ccc1S(=O)(=O)N1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261735082 328815415 /nfs/dbraw/zinc/81/54/15/328815415.db2.gz OQEHZWDCNWDNCT-MSOLQXFVSA-N 1 0 355.463 2.230 20 30 FEEDRO C[C@H](NS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1)[C@@H]1CCC[NH2+]C1 ZINC000261972622 328832715 /nfs/dbraw/zinc/83/27/15/328832715.db2.gz BPHQBGHAOQBDMW-WDEREUQCSA-N 1 0 361.389 2.243 20 30 FEEDRO N#Cc1cc(S(=O)(=O)N[C@H]2CCCC[C@H]2C[NH3+])ccc1C(F)(F)F ZINC000262006947 328834661 /nfs/dbraw/zinc/83/46/61/328834661.db2.gz GWMOCRHFTASTQZ-HZMBPMFUSA-N 1 0 361.389 2.373 20 30 FEEDRO C[C@H](NC(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1)c1ccc(C#N)cc1 ZINC000264518197 329031868 /nfs/dbraw/zinc/03/18/68/329031868.db2.gz HDTRKXGLXZHIQM-FXAWDEMLSA-N 1 0 369.513 2.431 20 30 FEEDRO COCC[N@@H+]1CC[C@H](NC(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C1 ZINC000266425218 329221571 /nfs/dbraw/zinc/22/15/71/329221571.db2.gz VZOCUERGTODKBL-ZDUSSCGKSA-N 1 0 356.348 2.419 20 30 FEEDRO COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000268171937 329393329 /nfs/dbraw/zinc/39/33/29/329393329.db2.gz QVHVISKJYGQHCX-DNVCBOLYSA-N 1 0 356.470 2.199 20 30 FEEDRO CC(C)[NH+]1CCC(N2CCN(C[C@@H](O)c3ccc(C#N)cc3)CC2)CC1 ZINC000269393965 329515090 /nfs/dbraw/zinc/51/50/90/329515090.db2.gz XWCONTSBTRHVQV-OAQYLSRUSA-N 1 0 356.514 2.082 20 30 FEEDRO C[NH+](C)CCCC1CCN(C(=O)C(=O)Nc2ccc(C#N)cc2F)CC1 ZINC000270925907 329645832 /nfs/dbraw/zinc/64/58/32/329645832.db2.gz GLQRCIRRNNTIJK-UHFFFAOYSA-N 1 0 360.433 2.216 20 30 FEEDRO COc1cc(C#N)ccc1OCCN1C[C@@H](SC)[C@H]([NH+]2CCCC2)C1 ZINC000274150870 329920304 /nfs/dbraw/zinc/92/03/04/329920304.db2.gz YGNLLBDHIZYQTR-VQIMIIECSA-N 1 0 361.511 2.457 20 30 FEEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1 ZINC000276014197 330111479 /nfs/dbraw/zinc/11/14/79/330111479.db2.gz HHWLIZQYSZBPKH-AWEZNQCLSA-N 1 0 370.453 2.051 20 30 FEEDRO COc1cc(C[NH2+]CC[C@](O)(c2nccn2C)C(F)(F)F)ccc1C#N ZINC000281828555 330177854 /nfs/dbraw/zinc/17/78/54/330177854.db2.gz XPAIMSJRQHPIFB-INIZCTEOSA-N 1 0 368.359 2.230 20 30 FEEDRO CN(C)C(=O)c1c[nH]nc1[C@H]1CCC[N@H+](CCOc2ccccc2C#N)C1 ZINC000364802401 330205294 /nfs/dbraw/zinc/20/52/94/330205294.db2.gz FRLIRPRNEYVOGH-INIZCTEOSA-N 1 0 367.453 2.242 20 30 FEEDRO CC[C@@](C)([NH2+]CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2)C(N)=O ZINC000411382652 330256501 /nfs/dbraw/zinc/25/65/01/330256501.db2.gz CSDMJBNVYLOCMO-BBATYDOGSA-N 1 0 362.499 2.317 20 30 FEEDRO CC#CCN(C)CC(=O)N(C)CCOc1ccc(Br)cc1 ZINC000555759941 674375314 /nfs/dbraw/zinc/37/53/14/674375314.db2.gz YLKYSCFLHDTQRD-UHFFFAOYSA-N 1 0 353.260 2.241 20 30 FEEDRO CC[S@](=O)[C@@H]1CCC[C@H](NC(NCc2cccc3c2OCO3)=[NH+]C)C1 ZINC000155928478 545584487 /nfs/dbraw/zinc/58/44/87/545584487.db2.gz MAFPQGBQZGVWAD-SKHRDNQBSA-N 1 0 365.499 2.160 20 30 FEEDRO Cc1cccc(N2CC[NH+](CCCNC(=O)c3ccc(C#N)[nH]3)CC2)c1 ZINC000157261728 545720435 /nfs/dbraw/zinc/72/04/35/545720435.db2.gz ZTAWBDKCSGNEKE-UHFFFAOYSA-N 1 0 351.454 2.137 20 30 FEEDRO CN(CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000157496700 545748738 /nfs/dbraw/zinc/74/87/38/545748738.db2.gz XYNYJIFEVFLRCU-HXUWFJFHSA-N 1 0 350.466 2.409 20 30 FEEDRO C[C@@H]1CCC[C@@](CNC(=O)C(=O)N(C)Cc2ccc(C#N)cc2)([NH+](C)C)C1 ZINC000477963364 561157103 /nfs/dbraw/zinc/15/71/03/561157103.db2.gz NJDLBANECIUVPG-IIBYNOLFSA-N 1 0 370.497 2.143 20 30 FEEDRO CC[NH+]=C(NCc1cccc2cccnc21)N1CCS(=O)(=O)C(C)(C)C1 ZINC000158570817 545873064 /nfs/dbraw/zinc/87/30/64/545873064.db2.gz ZAZOXWFTABPNKV-UHFFFAOYSA-N 1 0 374.510 2.209 20 30 FEEDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)C1 ZINC000159463408 545956463 /nfs/dbraw/zinc/95/64/63/545956463.db2.gz PQBHOHFCNVYKEW-ZDUSSCGKSA-N 1 0 362.861 2.244 20 30 FEEDRO COc1c[nH+]ccc1N1CCN(C(=O)[C@H](C)Oc2ccc(C#N)cc2)CC1 ZINC000478465994 561167700 /nfs/dbraw/zinc/16/77/00/561167700.db2.gz DHFKCNIUZHBVPK-HNNXBMFYSA-N 1 0 366.421 2.078 20 30 FEEDRO CC[NH+]=C(NCc1ccnc(OC)c1)N1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000160103011 546007373 /nfs/dbraw/zinc/00/73/73/546007373.db2.gz IHEJCEIECQRMQY-DOTOQJQBSA-N 1 0 356.474 2.335 20 30 FEEDRO C=CCN(CCOC)C(=O)NCc1ccccc1CN1CC[NH+](CC)CC1 ZINC000478787094 561174736 /nfs/dbraw/zinc/17/47/36/561174736.db2.gz FRMBSZNFDUHCCW-UHFFFAOYSA-N 1 0 374.529 2.168 20 30 FEEDRO C=CCSCCNC(=O)N1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000171258353 546200329 /nfs/dbraw/zinc/20/03/29/546200329.db2.gz NJSPFJGXCYOXKS-HOTGVXAUSA-N 1 0 355.548 2.436 20 30 FEEDRO COCCC[NH+]1CCC(NC(=O)/C=C/c2ccc(OCC#N)cc2)CC1 ZINC000171412653 546208266 /nfs/dbraw/zinc/20/82/66/546208266.db2.gz WDSJBMIHRUODAN-VMPITWQZSA-N 1 0 357.454 2.219 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)[C@]23CCC(=O)N2c2ccccc2S3)CC1 ZINC000171719808 546220304 /nfs/dbraw/zinc/22/03/04/546220304.db2.gz XERMODKJSROFJY-LJQANCHMSA-N 1 0 357.479 2.382 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)[C@H]2CC(=O)N(c3cccc(C)c3C)C2)CC1 ZINC000171720848 546221569 /nfs/dbraw/zinc/22/15/69/546221569.db2.gz MSUASZKFRORDET-KRWDZBQOSA-N 1 0 355.482 2.423 20 30 FEEDRO C[NH+](C)CCOc1ccc(NC(=O)C(=O)NCCCCC#N)cc1Cl ZINC000172144465 546238233 /nfs/dbraw/zinc/23/82/33/546238233.db2.gz IQTGQQYFNQEWAY-UHFFFAOYSA-N 1 0 366.849 2.029 20 30 FEEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)NCC[NH+]1CCCC1 ZINC000172304381 546246100 /nfs/dbraw/zinc/24/61/00/546246100.db2.gz FSPFYPKBPRWRJM-CQSZACIVSA-N 1 0 360.483 2.089 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccn(CCC#N)n1 ZINC000173333776 546278189 /nfs/dbraw/zinc/27/81/89/546278189.db2.gz QIVKOUQVTROSIG-UHFFFAOYSA-N 1 0 365.441 2.264 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)Nc2cccc(-c3nnnn3CC)c2)CC1 ZINC000173446757 546281054 /nfs/dbraw/zinc/28/10/54/546281054.db2.gz WSRFLOXIOFTPBR-UHFFFAOYSA-N 1 0 355.446 2.132 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@H]2CCCCN2C(=O)c2cccnc2)CC1 ZINC000173579531 546283410 /nfs/dbraw/zinc/28/34/10/546283410.db2.gz ZBKIORYUVANFBS-LJQANCHMSA-N 1 0 370.497 2.233 20 30 FEEDRO Cc1cc(C[NH2+]CCNC(=O)C2N=CC=CC2=O)ccc1Br ZINC000173569567 546283622 /nfs/dbraw/zinc/28/36/22/546283622.db2.gz KBGXUBQJVHQHJB-NXVVXOECSA-N 1 0 364.243 2.374 20 30 FEEDRO C=CCOc1ccc(C[NH2+]C[C@](C)(O)CN2CCOCC2)cc1Cl ZINC000174489524 546297823 /nfs/dbraw/zinc/29/78/23/546297823.db2.gz XUZYEUQUIANBOL-SFHVURJKSA-N 1 0 354.878 2.078 20 30 FEEDRO C[NH+]=C(NCc1nnc2n1CCCC2)N1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000175569069 546313363 /nfs/dbraw/zinc/31/33/63/546313363.db2.gz XMJZLYQQRXUTGZ-INIZCTEOSA-N 1 0 370.476 2.394 20 30 FEEDRO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccc(F)cc1C#N)c1cccs1 ZINC000175939233 546376056 /nfs/dbraw/zinc/37/60/56/546376056.db2.gz VIYIQMBBVKNFSU-CQSZACIVSA-N 1 0 360.414 2.116 20 30 FEEDRO C[C@H](O)C[N@H+](CCS(=O)(=O)c1ccc(C#N)cc1)C1CCCCC1 ZINC000176226291 546422167 /nfs/dbraw/zinc/42/21/67/546422167.db2.gz NWYXFGUZTMZMBP-HNNXBMFYSA-N 1 0 350.484 2.347 20 30 FEEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cccc([N+](=O)[O-])c1N ZINC000176245781 546423952 /nfs/dbraw/zinc/42/39/52/546423952.db2.gz LDKBYZYSICDQOR-UHFFFAOYSA-N 1 0 367.409 2.253 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1ccc(C(=O)NC2CC2)cc1 ZINC000176546742 546459575 /nfs/dbraw/zinc/45/95/75/546459575.db2.gz KTPQEOUXWCXDPJ-UHFFFAOYSA-N 1 0 357.458 2.278 20 30 FEEDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)C1 ZINC000176568524 546462528 /nfs/dbraw/zinc/46/25/28/546462528.db2.gz BXQLPBJRUFVFON-SJORKVTESA-N 1 0 373.476 2.402 20 30 FEEDRO COc1cc(/C=C/C(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)ccc1OCC#N ZINC000177056166 546533053 /nfs/dbraw/zinc/53/30/53/546533053.db2.gz PBCHDOUFBMYINL-SLMWNZGVSA-N 1 0 355.438 2.352 20 30 FEEDRO CC(C)(C)n1cc(C#N)cc1NC(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000177066419 546537650 /nfs/dbraw/zinc/53/76/50/546537650.db2.gz JTVQFCDSBJNVDE-UHFFFAOYSA-N 1 0 359.474 2.443 20 30 FEEDRO C[NH+]1CCC2(CCCN2S(=O)(=O)Cc2ccc(C#N)cc2F)CC1 ZINC000480687103 561214359 /nfs/dbraw/zinc/21/43/59/561214359.db2.gz DNGRAXVBHBBAKF-UHFFFAOYSA-N 1 0 351.447 2.087 20 30 FEEDRO C[NH+](C)CC[C@H](NS(=O)(=O)Cc1ccc(C#N)cc1F)C(C)(C)C ZINC000481035494 561223527 /nfs/dbraw/zinc/22/35/27/561223527.db2.gz JKQVHLBJAHIPAY-INIZCTEOSA-N 1 0 355.479 2.483 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)c2ccc(S[C@@H]3CCOC3=O)cc2)CC1 ZINC000178537786 546809453 /nfs/dbraw/zinc/80/94/53/546809453.db2.gz YTLILGJXKNMKHX-QGZVFWFLSA-N 1 0 360.479 2.474 20 30 FEEDRO Cc1c(C#N)cccc1NC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000178909262 546872294 /nfs/dbraw/zinc/87/22/94/546872294.db2.gz BUUHHGDVWQANGP-LPHOPBHVSA-N 1 0 366.465 2.281 20 30 FEEDRO COCC[N@H+](C)CCCC1CCN(C(=O)c2ccc(C#N)c(C)n2)CC1 ZINC000179327222 546931745 /nfs/dbraw/zinc/93/17/45/546931745.db2.gz ZSDXKALSZFVVMX-UHFFFAOYSA-N 1 0 358.486 2.472 20 30 FEEDRO C[C@H](C#N)Oc1ccccc1NC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000180088220 547050456 /nfs/dbraw/zinc/05/04/56/547050456.db2.gz NEPPJRKETORYHO-HZPDHXFCSA-N 1 0 358.442 2.163 20 30 FEEDRO CCS(=O)(=O)C[C@@H](C)N(C)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000180157998 547059632 /nfs/dbraw/zinc/05/96/32/547059632.db2.gz IRERANDFKZCBMY-CQSZACIVSA-N 1 0 360.483 2.214 20 30 FEEDRO C[C@@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1nc2ccc(Cl)cc2n1C ZINC000180176924 547063160 /nfs/dbraw/zinc/06/31/60/547063160.db2.gz PIUXQOHADXALFB-RKQLKTQESA-N 1 0 373.844 2.404 20 30 FEEDRO COCCc1noc(CN(C)Cc2cn(C)nc2-c2ccc(C#N)cc2)n1 ZINC000180185500 547064687 /nfs/dbraw/zinc/06/46/87/547064687.db2.gz QQGNZLVIXFXFGP-UHFFFAOYSA-N 1 0 366.425 2.163 20 30 FEEDRO Cn1cc(C[N@@H+]2CCC[C@H](Cn3ccnn3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180285703 547078864 /nfs/dbraw/zinc/07/88/64/547078864.db2.gz WIYRCFBNSJKKBU-KRWDZBQOSA-N 1 0 361.453 2.462 20 30 FEEDRO C=CCNC(=O)CNC(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000180339739 547087044 /nfs/dbraw/zinc/08/70/44/547087044.db2.gz DPSLDIAAUOGRLE-MRXNPFEDSA-N 1 0 358.486 2.162 20 30 FEEDRO C=CCNC(=O)CNC(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000180339622 547087153 /nfs/dbraw/zinc/08/71/53/547087153.db2.gz WMSICTGFJYCWEH-MRXNPFEDSA-N 1 0 358.486 2.020 20 30 FEEDRO N#Cc1cccc(NC(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)c1 ZINC000180723788 547167171 /nfs/dbraw/zinc/16/71/71/547167171.db2.gz NLPDTIUVVRVCSU-LJQANCHMSA-N 1 0 350.422 2.447 20 30 FEEDRO Cc1nccn1-c1ccc([C@H](C)[NH2+]CCNC(=O)C2N=CC=CC2=O)cc1 ZINC000180872802 547199054 /nfs/dbraw/zinc/19/90/54/547199054.db2.gz BAZMQDVFBLOPPZ-SXZOAGKDSA-N 1 0 365.437 2.358 20 30 FEEDRO CC[C@@H](O)C[NH+]1CCN(Cc2ccc(C#N)cc2Br)CC1 ZINC000181122074 547253821 /nfs/dbraw/zinc/25/38/21/547253821.db2.gz CNCHKYJRWQWMQX-OAHLLOKOSA-N 1 0 352.276 2.209 20 30 FEEDRO COc1c[nH+]ccc1N1CCN([C@H](C)C(=O)Nc2ccccc2C#N)CC1 ZINC000483210525 561270517 /nfs/dbraw/zinc/27/05/17/561270517.db2.gz MLRAKXJRIFFFEJ-OAHLLOKOSA-N 1 0 365.437 2.111 20 30 FEEDRO C=C(C)C[N@@H+](C)CCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1Cl ZINC000181281935 547286653 /nfs/dbraw/zinc/28/66/53/547286653.db2.gz DAMWJLKRVLNGMU-UHFFFAOYSA-N 1 0 373.906 2.427 20 30 FEEDRO C[NH+](C)CCC1CCN(S(=O)(=O)c2c(F)cc(C#N)cc2F)CC1 ZINC000181387451 547304834 /nfs/dbraw/zinc/30/48/34/547304834.db2.gz MIYRCRDNJYRQPL-UHFFFAOYSA-N 1 0 357.426 2.189 20 30 FEEDRO N#Cc1ccc(CN2CCC([NH2+]CCNC(=O)c3ccco3)CC2)cc1 ZINC000181428405 547314298 /nfs/dbraw/zinc/31/42/98/547314298.db2.gz KSFNMELDUPCPOL-UHFFFAOYSA-N 1 0 352.438 2.135 20 30 FEEDRO C[C@H]([NH2+]C[C@]1(N2CCOCC2)CCSC1)c1ccc(OCC#N)cc1 ZINC000181578461 547339205 /nfs/dbraw/zinc/33/92/05/547339205.db2.gz OFKSKSUONGJOFO-QFBILLFUSA-N 1 0 361.511 2.447 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)Nc1cccc2c1CCO2)C(C)C ZINC000483569131 561279866 /nfs/dbraw/zinc/27/98/66/561279866.db2.gz OYVBUZKMBZOBFR-SFHVURJKSA-N 1 0 371.481 2.375 20 30 FEEDRO C[C@@H]([NH2+]CCC(=O)N1CCN(c2ccccn2)CC1)c1cccc(C#N)c1 ZINC000181982353 547417152 /nfs/dbraw/zinc/41/71/52/547417152.db2.gz LRDOUNAWISOCAM-QGZVFWFLSA-N 1 0 363.465 2.343 20 30 FEEDRO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)NC[C@H](C)C#N)CC1 ZINC000182630871 547524423 /nfs/dbraw/zinc/52/44/23/547524423.db2.gz YYMZOESKWSCVRB-HUUCEWRRSA-N 1 0 361.465 2.487 20 30 FEEDRO CCOC(=O)[C@@]1(Cc2ccccc2)CCC[N@@H+]1CCC(=O)N(C)CCC#N ZINC000484309260 561296016 /nfs/dbraw/zinc/29/60/16/561296016.db2.gz NZPSAWBBEHPQGL-NRFANRHFSA-N 1 0 371.481 2.389 20 30 FEEDRO N#Cc1ccccc1/C=C/C(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000183435417 547659069 /nfs/dbraw/zinc/65/90/69/547659069.db2.gz VETYOSKRKYMBPR-LCCNJJIFSA-N 1 0 361.445 2.454 20 30 FEEDRO CCO[C@@H]1COCC[C@@H]1[NH2+][C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000484650566 561302338 /nfs/dbraw/zinc/30/23/38/561302338.db2.gz MSIZHZYWDLQJOA-JCGIZDLHSA-N 1 0 363.433 2.244 20 30 FEEDRO C=CC[N@@H+](CCOC)C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000484553663 561299946 /nfs/dbraw/zinc/29/99/46/561299946.db2.gz FAQOREYDHHBENS-CQSZACIVSA-N 1 0 362.239 2.462 20 30 FEEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000183684809 547701321 /nfs/dbraw/zinc/70/13/21/547701321.db2.gz MRBHKTNZVWZWDS-KGLIPLIRSA-N 1 0 355.442 2.232 20 30 FEEDRO COc1cc(C#N)ccc1S(=O)(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000184795974 547880439 /nfs/dbraw/zinc/88/04/39/547880439.db2.gz PNCICWFKEAGPCR-UHFFFAOYSA-N 1 0 365.499 2.500 20 30 FEEDRO COc1cc(C#N)ccc1S(=O)(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000185494091 547991823 /nfs/dbraw/zinc/99/18/23/547991823.db2.gz TWCCUFHTLAGEBE-AWEZNQCLSA-N 1 0 365.499 2.356 20 30 FEEDRO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)[C@@H]1COc2ccccc21 ZINC000185592136 548006103 /nfs/dbraw/zinc/00/61/03/548006103.db2.gz RDODVBHWPNFSCT-KDOFPFPSSA-N 1 0 356.447 2.486 20 30 FEEDRO C#CCOc1ccccc1NC(=O)C(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000185591144 548006561 /nfs/dbraw/zinc/00/65/61/548006561.db2.gz INLLFBLEGSABPP-MRXNPFEDSA-N 1 0 357.454 2.018 20 30 FEEDRO CC[C@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1ccc(C#N)cc1OC ZINC000185638077 548013372 /nfs/dbraw/zinc/01/33/72/548013372.db2.gz SVPRMLOMZUKCEB-HNNXBMFYSA-N 1 0 351.472 2.110 20 30 FEEDRO C[C@@H]1CN(C(=O)C2(c3cccc(C#N)c3)CC2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000485699977 561326169 /nfs/dbraw/zinc/32/61/69/561326169.db2.gz XYQZTDLKYKOHQU-XLIONFOSSA-N 1 0 366.509 2.074 20 30 FEEDRO C=CCc1cc(CNC(=O)c2cc([C@H]3CC[NH2+]C3)n[nH]2)cc(OC)c1OC ZINC000485773898 561327520 /nfs/dbraw/zinc/32/75/20/561327520.db2.gz IOHMPJUKPPXERZ-HNNXBMFYSA-N 1 0 370.453 2.162 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@@H](OCC)[C@H]2Oc2ccccc2)CC1 ZINC000186369575 548126035 /nfs/dbraw/zinc/12/60/35/548126035.db2.gz BOQAZFAQSKFDCC-ZCNNSNEGSA-N 1 0 356.466 2.073 20 30 FEEDRO CCC1(CC)CC[NH+](CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)CC1 ZINC000186563005 548152496 /nfs/dbraw/zinc/15/24/96/548152496.db2.gz OGQACJTXTMJOHT-UHFFFAOYSA-N 1 0 373.501 2.406 20 30 FEEDRO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCSC2(CCOCC2)C1 ZINC000186818741 548200120 /nfs/dbraw/zinc/20/01/20/548200120.db2.gz AOWZYBDFBOZDFU-HNNXBMFYSA-N 1 0 351.516 2.316 20 30 FEEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000187711419 548261583 /nfs/dbraw/zinc/26/15/83/548261583.db2.gz RDYUVKUZIBXKRZ-CQSZACIVSA-N 1 0 374.510 2.429 20 30 FEEDRO C=C(C)[C@H]([NH2+]CCc1cn(CC(=O)OC)nn1)c1ccc(F)c(F)c1 ZINC000187773600 548264233 /nfs/dbraw/zinc/26/42/33/548264233.db2.gz NUSVMHZVKSJKCY-KRWDZBQOSA-N 1 0 350.369 2.179 20 30 FEEDRO C=C(C)CN(CC)C(=O)[C@@H](C)N(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188280239 548276543 /nfs/dbraw/zinc/27/65/43/548276543.db2.gz IPHANNYXEZEVEJ-DENIHFKCSA-N 1 0 373.541 2.368 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)NC[C@]2(O)CCC[C@H](C(F)(F)F)C2)CC1 ZINC000188569515 548282769 /nfs/dbraw/zinc/28/27/69/548282769.db2.gz SCZSEMGMZYCPDL-BBRMVZONSA-N 1 0 363.424 2.420 20 30 FEEDRO C=C[C@](C)(CCOC)C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000188761340 548287125 /nfs/dbraw/zinc/28/71/25/548287125.db2.gz VLLCJDHLBZZNDL-TZIWHRDSSA-N 1 0 360.498 2.488 20 30 FEEDRO Cc1ccc(N(CCC#N)C(=O)C[N@@H+](C)CC2(O)CCOCC2)cc1C ZINC000189748385 548311579 /nfs/dbraw/zinc/31/15/79/548311579.db2.gz NRYURGVDLLCIRU-UHFFFAOYSA-N 1 0 359.470 2.023 20 30 FEEDRO COC(=O)[C@](C)(C[NH2+][C@@H](C)C(=O)NC1(C#N)CCCCC1)c1ccccc1 ZINC000189947206 548313724 /nfs/dbraw/zinc/31/37/24/548313724.db2.gz COGQYQFNTKGHDX-OXJNMPFZSA-N 1 0 371.481 2.438 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1cc(F)c(F)cc1Cl ZINC000189998932 548315022 /nfs/dbraw/zinc/31/50/22/548315022.db2.gz XUGPEYYQOHAXGS-UHFFFAOYSA-N 1 0 372.803 2.251 20 30 FEEDRO C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000190026832 548316188 /nfs/dbraw/zinc/31/61/88/548316188.db2.gz DDHYHZDEEXVBPR-CVEARBPZSA-N 1 0 370.453 2.003 20 30 FEEDRO CNC(=O)[C@H]1CN(CCC(C#N)(c2ccccc2)c2ccccc2)CCO1 ZINC000191610382 548347434 /nfs/dbraw/zinc/34/74/34/548347434.db2.gz YSACDEIZNMGIDX-HXUWFJFHSA-N 1 0 363.461 2.333 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2nc(CCC)cs2)CC1 ZINC000192893875 548375039 /nfs/dbraw/zinc/37/50/39/548375039.db2.gz GMZCKGSFEHASLX-UHFFFAOYSA-N 1 0 350.488 2.191 20 30 FEEDRO N#C[C@H](c1ccccc1)N1CCN(C(=O)C2CC[NH+](C3CC3)CC2)CC1 ZINC000193935429 548408343 /nfs/dbraw/zinc/40/83/43/548408343.db2.gz ZCHIRGRCQAZVAU-HXUWFJFHSA-N 1 0 352.482 2.270 20 30 FEEDRO N#Cc1ccc(CC(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000194856677 548540840 /nfs/dbraw/zinc/54/08/40/548540840.db2.gz SVMCQSNNPJZIEH-UHFFFAOYSA-N 1 0 362.477 2.429 20 30 FEEDRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)c2cccc(CC#N)c2)CC1 ZINC000195457126 548643704 /nfs/dbraw/zinc/64/37/04/548643704.db2.gz ZLODIIHMSKYINU-ROUUACIJSA-N 1 0 354.498 2.383 20 30 FEEDRO CC[C@H]1CN(CC[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)CCO1 ZINC000487172122 561365338 /nfs/dbraw/zinc/36/53/38/561365338.db2.gz RSESFVFNACQNMO-IBGZPJMESA-N 1 0 353.470 2.159 20 30 FEEDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)CCCC(=O)Nc1ccccc1C#N ZINC000245674177 548971640 /nfs/dbraw/zinc/97/16/40/548971640.db2.gz FYABDARGMGFWDN-CRAIPNDOSA-N 1 0 356.470 2.466 20 30 FEEDRO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H](c3nncn3C3CC3)C2)cc1 ZINC000246095254 549050926 /nfs/dbraw/zinc/05/09/26/549050926.db2.gz OGLUKDGCPLHBPS-SJLPKXTDSA-N 1 0 367.453 2.104 20 30 FEEDRO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000246248516 549089065 /nfs/dbraw/zinc/08/90/65/549089065.db2.gz KVNWMXPIMNEGKG-MJGOQNOKSA-N 1 0 356.470 2.159 20 30 FEEDRO C[C@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000246410126 549126973 /nfs/dbraw/zinc/12/69/73/549126973.db2.gz JXDUBKSMLQYWMR-AAEUAGOBSA-N 1 0 373.400 2.434 20 30 FEEDRO CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N(CCC#N)CCC(C)C)CC1=O ZINC000246450019 549135428 /nfs/dbraw/zinc/13/54/28/549135428.db2.gz OPBXGWWVUVEEHK-ROUUACIJSA-N 1 0 362.518 2.108 20 30 FEEDRO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2ccco2)cc1 ZINC000246459482 549138216 /nfs/dbraw/zinc/13/82/16/549138216.db2.gz FQVRITARQINFCX-ZHALLVOQSA-N 1 0 356.422 2.479 20 30 FEEDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)Cc2ccc(OCC#N)cc2)[C@@H](C)C1 ZINC000246718944 549195253 /nfs/dbraw/zinc/19/52/53/549195253.db2.gz GKCQRBNOWHIEPL-PXNSSMCTSA-N 1 0 373.497 2.385 20 30 FEEDRO C[C@@H](CNS(=O)(=O)c1ccc(C#N)c(F)c1)[N@H+](C)Cc1ccccc1 ZINC000489241042 561406388 /nfs/dbraw/zinc/40/63/88/561406388.db2.gz PHWVCKFSDWJUAN-AWEZNQCLSA-N 1 0 361.442 2.496 20 30 FEEDRO CC1([C@@H]2CCCN([C@H]3CCN(c4sccc4C#N)C3=O)C2)OCCO1 ZINC000248451726 549441421 /nfs/dbraw/zinc/44/14/21/549441421.db2.gz JFSACJMJNWUBPO-CABCVRRESA-N 1 0 361.467 2.200 20 30 FEEDRO CC1([C@@H]2CCC[N@@H+]([C@H]3CCN(c4ccc(C#N)cc4)C3=O)C2)OCCO1 ZINC000248458307 549443787 /nfs/dbraw/zinc/44/37/87/549443787.db2.gz MXAVHLDXSLWOJW-AEFFLSMTSA-N 1 0 355.438 2.139 20 30 FEEDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)Nc1cccc(C#N)c1 ZINC000248728337 549491895 /nfs/dbraw/zinc/49/18/95/549491895.db2.gz CZGFQAHPRNWXCP-DNVCBOLYSA-N 1 0 362.433 2.133 20 30 FEEDRO Cc1ncc(S(=O)(=O)N(CC[NH+](C)C)Cc2cccs2)cc1C#N ZINC000489571622 561414408 /nfs/dbraw/zinc/41/44/08/561414408.db2.gz YMUWHXLHJJUJLH-UHFFFAOYSA-N 1 0 364.496 2.076 20 30 FEEDRO C[C@H](O)C[N@@H+]1CCN(C(=O)CCCCOc2cccc(C#N)c2)[C@H](C)C1 ZINC000248995814 549538462 /nfs/dbraw/zinc/53/84/62/549538462.db2.gz ZOXGQSAYQDGSLO-SJORKVTESA-N 1 0 359.470 2.021 20 30 FEEDRO Cc1ncc(S(=O)(=O)N[C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)cc1C#N ZINC000489614820 561415550 /nfs/dbraw/zinc/41/55/50/561415550.db2.gz WUVKMCOQVREJDY-KSSFIOAISA-N 1 0 358.467 2.231 20 30 FEEDRO CC[N@H+](CC(=O)N1CCN(c2oc(C)nc2C#N)CC1)[C@@H]1CCCC[C@H]1C ZINC000249382994 549586225 /nfs/dbraw/zinc/58/62/25/549586225.db2.gz PJPVJNOTSNERMA-CRAIPNDOSA-N 1 0 373.501 2.404 20 30 FEEDRO CCOCCC[N@@H+]1CC[C@@H](NCC(=O)Nc2sccc2C#N)[C@@H](C)C1 ZINC000249422641 549590326 /nfs/dbraw/zinc/59/03/26/549590326.db2.gz HVWQNZXMCKZOBE-GOEBONIOSA-N 1 0 364.515 2.285 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H](OCC)[C@@H]2Oc2ccccc2)CC1 ZINC000251433500 549645215 /nfs/dbraw/zinc/64/52/15/549645215.db2.gz BOQAZFAQSKFDCC-HSALFYBXSA-N 1 0 356.466 2.073 20 30 FEEDRO C[NH+]=C(NCc1ccc(C(=O)N(C)C)cc1)N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000261620296 549735582 /nfs/dbraw/zinc/73/55/82/549735582.db2.gz HOTPLGTZCXXMKL-KURKYZTESA-N 1 0 370.497 2.011 20 30 FEEDRO C[NH+]=C(N[C@@H]1C[C@@H]1Cc1ccccc1)N1CCO[C@@H](c2cnn(C)c2)C1 ZINC000261754234 549751889 /nfs/dbraw/zinc/75/18/89/549751889.db2.gz MDWQXRFPFUSTJO-QXAKKESOSA-N 1 0 353.470 2.000 20 30 FEEDRO Cn1ccnc1-c1cccc(NC(=O)C(=O)NCC#Cc2ccccc2)c1 ZINC000490175773 561428159 /nfs/dbraw/zinc/42/81/59/561428159.db2.gz HJEACKZJCVMBJU-UHFFFAOYSA-N 1 0 358.401 2.194 20 30 FEEDRO CC[NH+]=C(NC[C@H](C)c1c(C)noc1C)N1CCN(C(=O)C(C)C)CC1 ZINC000261883038 549766154 /nfs/dbraw/zinc/76/61/54/549766154.db2.gz PMNJLSTXHBJHDY-AWEZNQCLSA-N 1 0 363.506 2.161 20 30 FEEDRO C[NH+]=C(NCc1nnc2n1CCC2)N[C@H]1CC(C)(C)Oc2ccccc21 ZINC000261933738 549771185 /nfs/dbraw/zinc/77/11/85/549771185.db2.gz BYESSKJAQKPSPF-AWEZNQCLSA-N 1 0 354.458 2.192 20 30 FEEDRO CC[C@@H](C)NC(=[NH2+])NCc1cccc(N2C(=O)NC3(CCCC3)C2=O)c1 ZINC000262290299 549806890 /nfs/dbraw/zinc/80/68/90/549806890.db2.gz BQFAYGHVUYXJIS-CYBMUJFWSA-N 1 0 357.458 2.258 20 30 FEEDRO C[NH+]=C(NC[C@@H](c1cccs1)N(C)C)N1CC[C@H](c2cnn(C)c2)C1 ZINC000262437138 549819466 /nfs/dbraw/zinc/81/94/66/549819466.db2.gz GOZVRCWPNNFGBD-HOCLYGCPSA-N 1 0 360.531 2.149 20 30 FEEDRO CN(Cc1ccccc1)C(NC[C@H]1CCS(=O)(=O)C1)=[NH+]C1CCCC1 ZINC000262454619 549820931 /nfs/dbraw/zinc/82/09/31/549820931.db2.gz WOCNBMQLKGXQEF-QGZVFWFLSA-N 1 0 363.527 2.441 20 30 FEEDRO [NH2+]=C(NCC(=O)N1CCc2ccccc21)N[C@@H]1CCOc2ccccc21 ZINC000262547657 549827460 /nfs/dbraw/zinc/82/74/60/549827460.db2.gz SLWFGJAGAOQLCL-MRXNPFEDSA-N 1 0 350.422 2.004 20 30 FEEDRO [NH2+]=C(NC[C@H]1CCCCC(F)(F)C1)N1CCN(c2ncccn2)CC1 ZINC000262715189 549842257 /nfs/dbraw/zinc/84/22/57/549842257.db2.gz RLFQTIPWNXHLQD-AWEZNQCLSA-N 1 0 352.433 2.129 20 30 FEEDRO N#Cc1ccc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)c(Cl)c1 ZINC000490507143 561434209 /nfs/dbraw/zinc/43/42/09/561434209.db2.gz HGLCEGBWLUESLM-ZDUSSCGKSA-N 1 0 360.845 2.283 20 30 FEEDRO CCc1cccc(CC)c1NC(=[NH2+])NCCc1ccc(S(N)(=O)=O)cc1 ZINC000264060698 549974245 /nfs/dbraw/zinc/97/42/45/549974245.db2.gz CQVNATFKNDMAJP-UHFFFAOYSA-N 1 0 374.510 2.428 20 30 FEEDRO COc1ccc(NC(=[NH2+])NC[C@H](c2ccc(C)o2)N2CCOCC2)cc1 ZINC000264079357 549976816 /nfs/dbraw/zinc/97/68/16/549976816.db2.gz IFDDKQYUOCAWEP-QGZVFWFLSA-N 1 0 358.442 2.397 20 30 FEEDRO CC[C@H](C)NC(=[NH2+])NCc1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000264311619 549993730 /nfs/dbraw/zinc/99/37/30/549993730.db2.gz UWTCHZRRAOBELD-AWEZNQCLSA-N 1 0 352.504 2.064 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccc(N3C[C@H](C)O[C@@H](C)C3)nc2)CC1 ZINC000264323465 549994565 /nfs/dbraw/zinc/99/45/65/549994565.db2.gz BKUQTMIICLWCLZ-HOTGVXAUSA-N 1 0 373.501 2.467 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)CCc2c(C)nc(SC)[nH]c2=O)CC1 ZINC000264449557 549995828 /nfs/dbraw/zinc/99/58/28/549995828.db2.gz CNNKCSBTOHKUIB-UHFFFAOYSA-N 1 0 364.515 2.302 20 30 FEEDRO C[C@@H](CN(C)C(=O)OC(C)(C)C)C(N)=NOCc1ccc(C(N)=O)cc1 ZINC000264931397 550003553 /nfs/dbraw/zinc/00/35/53/550003553.db2.gz PJUHBTJBZABMBD-LBPRGKRZSA-N 1 0 364.446 2.077 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C[C@H]2CN(Cc3ccccc3)CCO2)CC1 ZINC000266453392 550020659 /nfs/dbraw/zinc/02/06/59/550020659.db2.gz OKSWCXBGRWVMJO-NRFANRHFSA-N 1 0 371.525 2.434 20 30 FEEDRO CC(=O)c1ccc(NC(=O)CON=C(N)c2ccc(C[NH+](C)C)cc2)cc1 ZINC000267001823 550026784 /nfs/dbraw/zinc/02/67/84/550026784.db2.gz HNVMBOYWRFZYHH-UHFFFAOYSA-N 1 0 368.437 2.226 20 30 FEEDRO COc1ccc(CCNC(=[NH2+])NC[C@](C)(O)c2cccs2)cc1OC ZINC000267419184 550030938 /nfs/dbraw/zinc/03/09/38/550030938.db2.gz KCDXXFPCIGZGKS-SFHVURJKSA-N 1 0 363.483 2.120 20 30 FEEDRO C#Cc1cccc(NC(=O)CNC(=O)NC2CC[NH+](C3CCCC3)CC2)c1 ZINC000267396689 550030987 /nfs/dbraw/zinc/03/09/87/550030987.db2.gz XASHFHWOFDZCCG-UHFFFAOYSA-N 1 0 368.481 2.313 20 30 FEEDRO [NH2+]=C(NCCCNC(=O)C1CCC1)NCc1cccc(C(F)(F)F)c1 ZINC000267611165 550033469 /nfs/dbraw/zinc/03/34/69/550033469.db2.gz GVPNJLBJTGRCJT-UHFFFAOYSA-N 1 0 356.392 2.416 20 30 FEEDRO COc1cc(OC)cc(OCCC[N@H+](C)[C@@H](C)C(=O)N(C)CCC#N)c1 ZINC000267885343 550035397 /nfs/dbraw/zinc/03/53/97/550035397.db2.gz GFSUGVPREKXXTR-HNNXBMFYSA-N 1 0 363.458 2.165 20 30 FEEDRO C=CCOc1ccc(C(=O)NC[C@@H](CC[NH+](C)C)OCC)cc1OC ZINC000267939286 550036136 /nfs/dbraw/zinc/03/61/36/550036136.db2.gz HBXYCQALNUYDSS-MRXNPFEDSA-N 1 0 350.459 2.347 20 30 FEEDRO Cc1cc(N(CCC#N)C(=O)C[NH2+]C2(CO)CCOCC2)ccc1Cl ZINC000268287321 550045411 /nfs/dbraw/zinc/04/54/11/550045411.db2.gz COCOAGSGTDXSOK-UHFFFAOYSA-N 1 0 365.861 2.026 20 30 FEEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(C#N)cc2Cl)C[C@H]1C ZINC000491470998 561445811 /nfs/dbraw/zinc/44/58/11/561445811.db2.gz KKBXXBZWCPEJRM-TZMCWYRMSA-N 1 0 362.861 2.481 20 30 FEEDRO C=CCOc1ccccc1CNC(=O)NCC1(O)CC[NH+](C(C)C)CC1 ZINC000268453336 550068495 /nfs/dbraw/zinc/06/84/95/550068495.db2.gz GGBKUFAQSLFKCH-UHFFFAOYSA-N 1 0 361.486 2.286 20 30 FEEDRO C[C@@H]1C[N@@H+](CC2CCN(c3nccc(C#N)c3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000268517009 550080350 /nfs/dbraw/zinc/08/03/50/550080350.db2.gz UDOOQVZMRGXBCE-OKILXGFUSA-N 1 0 359.430 2.187 20 30 FEEDRO N#Cc1cnc(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)c(Cl)c1 ZINC000491835417 561447730 /nfs/dbraw/zinc/44/77/30/561447730.db2.gz OWCCKIPWPQGHFO-CVEARBPZSA-N 1 0 362.861 2.104 20 30 FEEDRO C[C@H](NC(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1ccc(C#N)cc1 ZINC000268972494 550139330 /nfs/dbraw/zinc/13/93/30/550139330.db2.gz NOVJVJQFTDXOBG-JVPBZIDWSA-N 1 0 356.470 2.296 20 30 FEEDRO C#CCOc1cccc(NC(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c1 ZINC000269089229 550153638 /nfs/dbraw/zinc/15/36/38/550153638.db2.gz BNDXMLROUWRSCG-RBUKOAKNSA-N 1 0 357.454 2.198 20 30 FEEDRO C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)Nc3ccc(C#N)cc3Cl)CC[C@@H]21 ZINC000269121032 550157714 /nfs/dbraw/zinc/15/77/14/550157714.db2.gz SGBHYZVDKGIEHO-BBRMVZONSA-N 1 0 360.845 2.093 20 30 FEEDRO CN(Cc1cccc(C#N)c1)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000269356575 550185234 /nfs/dbraw/zinc/18/52/34/550185234.db2.gz STZFYPBBRJOABW-MOPGFXCFSA-N 1 0 356.470 2.077 20 30 FEEDRO Cc1cc(C#N)ccc1C(=O)N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000269597775 550209592 /nfs/dbraw/zinc/20/95/92/550209592.db2.gz GUHIWGVAUMAXID-UHFFFAOYSA-N 1 0 354.498 2.497 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N[C@@H](CC)[C@H](O)c2c(F)cccc2F)CC1 ZINC000269606226 550210055 /nfs/dbraw/zinc/21/00/55/550210055.db2.gz VOUDWXWKLUZHMD-WMZOPIPTSA-N 1 0 350.409 2.238 20 30 FEEDRO C[NH+](C)C[C@@H]1CCCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000269786847 550225487 /nfs/dbraw/zinc/22/54/87/550225487.db2.gz JAXLUBUBNOXZRA-ZDUSSCGKSA-N 1 0 361.389 2.292 20 30 FEEDRO N#Cc1ccc(CNC(=O)C[N@H+](Cc2ccccc2)[C@H](CO)C2CC2)cc1 ZINC000270016448 550243746 /nfs/dbraw/zinc/24/37/46/550243746.db2.gz ZQBJRAIPYLIPDD-OAQYLSRUSA-N 1 0 363.461 2.448 20 30 FEEDRO C=C(C)[C@@H](CC(=O)NCc1ccc(CN2CC[NH+](C)CC2)cc1)OCC ZINC000270049557 550245520 /nfs/dbraw/zinc/24/55/20/550245520.db2.gz QWGZLRDGKFBCJP-HXUWFJFHSA-N 1 0 359.514 2.422 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@H](C(F)(F)F)[C@H](CO)C2)CC1 ZINC000493836372 561458463 /nfs/dbraw/zinc/45/84/63/561458463.db2.gz POEDATSVLRZJLW-ZFWWWQNUSA-N 1 0 363.424 2.229 20 30 FEEDRO C=CCOc1ccc(C(=O)N2C[C@@H](SC)[C@@H]([NH+](C)C)C2)cc1OC ZINC000270551706 550282985 /nfs/dbraw/zinc/28/29/85/550282985.db2.gz ZNNUYMAGEYOJFA-WMLDXEAASA-N 1 0 350.484 2.378 20 30 FEEDRO CC(=O)N1CC[N@H+](C[C@@H](O)COc2ccc(C#N)cc2)CC12CCCCC2 ZINC000270944748 550324295 /nfs/dbraw/zinc/32/42/95/550324295.db2.gz ZHJVHHZTULAITM-LJQANCHMSA-N 1 0 371.481 2.165 20 30 FEEDRO CO[C@H](C)c1noc(CN2CCCN(c3nc(C)ccc3C#N)CC2)n1 ZINC000271008754 550331462 /nfs/dbraw/zinc/33/14/62/550331462.db2.gz XFXCPCDYPTUSDD-CQSZACIVSA-N 1 0 356.430 2.064 20 30 FEEDRO CS[C@@H]1CN(C(=O)CCCC(=O)Nc2ccccc2C#N)C[C@@H]1[NH+](C)C ZINC000271145753 550345086 /nfs/dbraw/zinc/34/50/86/550345086.db2.gz PQMBTIACEYHKKR-DLBZAZTESA-N 1 0 374.510 2.171 20 30 FEEDRO CC[C@@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1ccc(OC)c(OC)c1 ZINC000271479725 550378267 /nfs/dbraw/zinc/37/82/67/550378267.db2.gz NFMFDXBJHDNEER-ORIGZDJFSA-N 1 0 359.426 2.271 20 30 FEEDRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)C(=O)Nc1ccc(C#N)cc1F ZINC000271847271 550405696 /nfs/dbraw/zinc/40/56/96/550405696.db2.gz GWMJXBHNGWFRNA-CQSZACIVSA-N 1 0 368.412 2.273 20 30 FEEDRO CNS(=O)(=O)c1cccc(C[NH2+][C@H](C)c2ccc(OCC#N)cc2)c1 ZINC000271919917 550411248 /nfs/dbraw/zinc/41/12/48/550411248.db2.gz ZVXPCMAHDJDPLI-CQSZACIVSA-N 1 0 359.451 2.348 20 30 FEEDRO C#CCC[NH+]1CCN(C[C@@H](O)COc2cccc(C(F)(F)F)c2)CC1 ZINC000271950565 550412732 /nfs/dbraw/zinc/41/27/32/550412732.db2.gz AUWGMCLTZLHGAA-MRXNPFEDSA-N 1 0 356.388 2.086 20 30 FEEDRO CC[NH+]1CCN([C@H](C)CNC(=O)[C@@H](Oc2ccccc2C#N)C(C)C)CC1 ZINC000494328755 561467450 /nfs/dbraw/zinc/46/74/50/561467450.db2.gz VYFFDCVTNVXDTM-XLIONFOSSA-N 1 0 372.513 2.104 20 30 FEEDRO CNC(=O)c1ccc(C[NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1 ZINC000272519313 550455194 /nfs/dbraw/zinc/45/51/94/550455194.db2.gz ISVHUGMUGFLCLD-IBGZPJMESA-N 1 0 362.433 2.203 20 30 FEEDRO N#Cc1cc([N+](=O)[O-])cnc1NCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000273048195 550482468 /nfs/dbraw/zinc/48/24/68/550482468.db2.gz BAQBCXPGEJJAPE-KRWDZBQOSA-N 1 0 367.409 2.430 20 30 FEEDRO C#CCC[NH+]1CCN(C[C@@H](O)COc2ccccc2C(F)(F)F)CC1 ZINC000273152158 550487414 /nfs/dbraw/zinc/48/74/14/550487414.db2.gz MCZIQXNSUBFLST-OAHLLOKOSA-N 1 0 356.388 2.086 20 30 FEEDRO C[NH+](C)CC1(CNC(=O)C(=O)Nc2cc(C#N)ccc2Cl)CCCC1 ZINC000273605081 550504979 /nfs/dbraw/zinc/50/49/79/550504979.db2.gz PZHBDBHSFMDWFT-UHFFFAOYSA-N 1 0 362.861 2.388 20 30 FEEDRO C=CCC(CC=C)C(=O)Nc1cccc(S(=O)(=O)NCC[NH+](C)C)c1 ZINC000274195186 550527353 /nfs/dbraw/zinc/52/73/53/550527353.db2.gz FWCCWSJUHBCDRF-UHFFFAOYSA-N 1 0 365.499 2.233 20 30 FEEDRO C=CCc1ccc(OC[C@H](O)C[NH2+][C@@H](CCO)c2ccco2)c(OC)c1 ZINC000274400357 550535967 /nfs/dbraw/zinc/53/59/67/550535967.db2.gz JOYSWAVXPOHPFG-SJORKVTESA-N 1 0 361.438 2.470 20 30 FEEDRO CS[C@H]1CN(S(=O)(=O)c2cc(C#N)ccc2C)C[C@@H]1[NH+]1CCCC1 ZINC000274851363 550559720 /nfs/dbraw/zinc/55/97/20/550559720.db2.gz UKPGZROMKLSHDB-HOTGVXAUSA-N 1 0 365.524 2.067 20 30 FEEDRO CC[C@H](CC#N)NC(=O)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000275757510 550574288 /nfs/dbraw/zinc/57/42/88/550574288.db2.gz FMHLMKPXJVJYNY-QGZVFWFLSA-N 1 0 356.470 2.462 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)NC2CCN(c3cc(C)[nH]n3)CC2)CC1 ZINC000275927069 550575146 /nfs/dbraw/zinc/57/51/46/550575146.db2.gz ZFUDEROUTHVOJR-UHFFFAOYSA-N 1 0 360.506 2.027 20 30 FEEDRO C=CCCN(C)C(=O)NCCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000276468025 550578530 /nfs/dbraw/zinc/57/85/30/550578530.db2.gz WYLBCMHBWZMLLZ-UHFFFAOYSA-N 1 0 360.502 2.425 20 30 FEEDRO CC(C)(C)S(=O)(=O)N1CCC([NH2+]Cc2ccc(C#N)cc2F)CC1 ZINC000276941156 550613478 /nfs/dbraw/zinc/61/34/78/550613478.db2.gz NPDPWGZWQSWIBR-UHFFFAOYSA-N 1 0 353.463 2.380 20 30 FEEDRO C=CCC1(C(=O)Nc2cccc(S(=O)(=O)NCC[NH+](C)C)c2)CCC1 ZINC000277094255 550631515 /nfs/dbraw/zinc/63/15/15/550631515.db2.gz RYKCGMMSLMTLEE-UHFFFAOYSA-N 1 0 365.499 2.211 20 30 FEEDRO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@@H](Cc1nc(C)no1)c1ccccc1 ZINC000277152408 550637409 /nfs/dbraw/zinc/63/74/09/550637409.db2.gz JQVPEIOPFRDSJJ-YOEHRIQHSA-N 1 0 355.442 2.260 20 30 FEEDRO C[NH+](C)CCn1ncc(C(=O)N2CCC(C#N)CC2)c1-c1ccccc1 ZINC000277645661 550696297 /nfs/dbraw/zinc/69/62/97/550696297.db2.gz KLELUEJWXNLRBW-UHFFFAOYSA-N 1 0 351.454 2.487 20 30 FEEDRO CN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000279119267 550856154 /nfs/dbraw/zinc/85/61/54/550856154.db2.gz PYFIUDHMJKIZLE-UHFFFAOYSA-N 1 0 372.288 2.035 20 30 FEEDRO CS[C@@H]1CN(C(=O)c2cc(-c3cccc(C#N)c3)no2)C[C@@H]1[NH+](C)C ZINC000279408203 550886837 /nfs/dbraw/zinc/88/68/37/550886837.db2.gz IOTBLPNQVAJINA-DOTOQJQBSA-N 1 0 356.451 2.331 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N[C@@H](CO)c2ccccc2OC(F)(F)F)CC1 ZINC000279889303 550940159 /nfs/dbraw/zinc/94/01/59/550940159.db2.gz DXEXRPRRNPFULB-HNNXBMFYSA-N 1 0 370.371 2.080 20 30 FEEDRO CS(=O)(=O)C1(CNC(=[NH2+])NCc2cccc(C(F)(F)F)c2)CCC1 ZINC000280002700 550951743 /nfs/dbraw/zinc/95/17/43/550951743.db2.gz MZVMABGCOVXCLW-UHFFFAOYSA-N 1 0 363.405 2.077 20 30 FEEDRO CC[NH+](CC)CC[C@H](CO)NC(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000495604672 561489720 /nfs/dbraw/zinc/48/97/20/561489720.db2.gz CCFIXYRFBGTLBB-CYBMUJFWSA-N 1 0 370.400 2.374 20 30 FEEDRO CS[C@@H]1CN(C(=O)[C@H](Oc2ccccc2C#N)C(C)C)C[C@@H]1[NH+](C)C ZINC000495638761 561490084 /nfs/dbraw/zinc/49/00/84/561490084.db2.gz SSVJFMFXKZHMMV-CGTJXYLNSA-N 1 0 361.511 2.466 20 30 FEEDRO CN(C)C(=[NH+]Cc1nc(-c2cccc(Br)c2)no1)N(C)C ZINC000280413666 550991306 /nfs/dbraw/zinc/99/13/06/550991306.db2.gz HKTLPABLDHXSKB-UHFFFAOYSA-N 1 0 352.236 2.478 20 30 FEEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CC[C@](C)(C(N)=O)C2)c1 ZINC000280714096 551024335 /nfs/dbraw/zinc/02/43/35/551024335.db2.gz JNDPKVJDJJWMTB-UZLBHIALSA-N 1 0 356.470 2.136 20 30 FEEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CC[C@@](C)(C(N)=O)C3)sc2C1 ZINC000280868326 551040901 /nfs/dbraw/zinc/04/09/01/551040901.db2.gz ZJAUXQIUFGNWLX-CWTRNNRKSA-N 1 0 374.510 2.270 20 30 FEEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CC[C@](C)(C(N)=O)C3)sc2C1 ZINC000280868318 551040919 /nfs/dbraw/zinc/04/09/19/551040919.db2.gz ZJAUXQIUFGNWLX-BUXKBTBVSA-N 1 0 374.510 2.270 20 30 FEEDRO C=CCN1CC[C@H]([N@H+](C)C[C@H](O)CO[C@@H]2CCCc3ccccc32)C1=O ZINC000281282752 551080929 /nfs/dbraw/zinc/08/09/29/551080929.db2.gz IUHGUVAUZBQLCY-YSIASYRMSA-N 1 0 358.482 2.160 20 30 FEEDRO Cc1nc(C#N)c(N2CCC(C(=O)NC[C@@H]3CCCC[N@@H+]3C3CC3)CC2)o1 ZINC000281531314 551109396 /nfs/dbraw/zinc/10/93/96/551109396.db2.gz HVYMGMFFJCFQEZ-KRWDZBQOSA-N 1 0 371.485 2.204 20 30 FEEDRO C[C@H]([NH2+]CCCC1(C#N)CCOCC1)c1cccc(S(N)(=O)=O)c1 ZINC000281932501 551159528 /nfs/dbraw/zinc/15/95/28/551159528.db2.gz IEVLSSQQDPEHRN-AWEZNQCLSA-N 1 0 351.472 2.085 20 30 FEEDRO C=CCn1c(-c2cnn(C)c2)nnc1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000282644896 551255506 /nfs/dbraw/zinc/25/55/06/551255506.db2.gz QCGMSAUOKPCFDR-MAUKXSAKSA-N 1 0 367.501 2.318 20 30 FEEDRO C=CCOc1ccc(C(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)cc1 ZINC000497462086 561501384 /nfs/dbraw/zinc/50/13/84/561501384.db2.gz OOWYTDLCQRDDNZ-YLJYHZDGSA-N 1 0 357.498 2.349 20 30 FEEDRO COC(=O)[C@]1(C)C[N@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C[C@H]1C ZINC000282778357 551269245 /nfs/dbraw/zinc/26/92/45/551269245.db2.gz QCRTZZWGNBDTJC-FOIQADDNSA-N 1 0 367.453 2.490 20 30 FEEDRO C#Cc1cc(F)c(NC(=O)C(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)c(F)c1 ZINC000283086318 551309407 /nfs/dbraw/zinc/30/94/07/551309407.db2.gz YOSUACGRMOEXCJ-OLZOCXBDSA-N 1 0 363.408 2.121 20 30 FEEDRO C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC000283216593 551330492 /nfs/dbraw/zinc/33/04/92/551330492.db2.gz IWIGUDQEVMJKOI-UHFFFAOYSA-N 1 0 360.506 2.057 20 30 FEEDRO C=C(C)CN(CC)C(=O)C(=O)NC[C@@H](c1ccccc1OC)[NH+]1CCCC1 ZINC000283476923 551373070 /nfs/dbraw/zinc/37/30/70/551373070.db2.gz OCLNESDSNATCJN-SFHVURJKSA-N 1 0 373.497 2.373 20 30 FEEDRO CC[NH+](CC)C[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C)C1 ZINC000283624922 551399235 /nfs/dbraw/zinc/39/92/35/551399235.db2.gz WMMFGMSBQJLKMM-QGZVFWFLSA-N 1 0 368.485 2.434 20 30 FEEDRO C=CCOc1ccccc1CNC(=O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000283673550 551407311 /nfs/dbraw/zinc/40/73/11/551407311.db2.gz VMYLGIJMHBGGDG-UHFFFAOYSA-N 1 0 373.497 2.293 20 30 FEEDRO C=C(C)Cn1c(-c2cccnc2)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000283705608 551412953 /nfs/dbraw/zinc/41/29/53/551412953.db2.gz VRDXPUJUSWKDKR-QGZVFWFLSA-N 1 0 368.485 2.075 20 30 FEEDRO C=C(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[NH+](C(C)C)CC1 ZINC000283737318 551419290 /nfs/dbraw/zinc/41/92/90/551419290.db2.gz ZLLDJBQHEPPSJC-UHFFFAOYSA-N 1 0 369.473 2.032 20 30 FEEDRO C=C(C)CN(CC)C(=O)C(=O)NC[C@@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC000283860634 551439868 /nfs/dbraw/zinc/43/98/68/551439868.db2.gz JJWTVAREANPCBZ-IBGZPJMESA-N 1 0 373.497 2.373 20 30 FEEDRO C=CCN(CC=C)C(=O)C(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000283904417 551447191 /nfs/dbraw/zinc/44/71/91/551447191.db2.gz DCZAGHSKFWTOJJ-LJQANCHMSA-N 1 0 371.481 2.149 20 30 FEEDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N[C@@H](C)c1ccc(C#N)cc1 ZINC000284074703 551479342 /nfs/dbraw/zinc/47/93/42/551479342.db2.gz RONMEPRZHNRGFI-YJBOKZPZSA-N 1 0 356.470 2.116 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCc2c(C)cc(C)cc2C)CC1 ZINC000284138208 551490597 /nfs/dbraw/zinc/49/05/97/551490597.db2.gz WHKDQVKRVIXQDD-UHFFFAOYSA-N 1 0 357.498 2.385 20 30 FEEDRO CN1CCO[C@H]2CCN(Cc3cn(CCC#N)nc3-c3ccccc3)C[C@H]21 ZINC000284233157 551506766 /nfs/dbraw/zinc/50/67/66/551506766.db2.gz DPKYMUQDNHAIDR-UXHICEINSA-N 1 0 365.481 2.369 20 30 FEEDRO C=CCCN(C)C(=O)C(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCCC1 ZINC000284389646 551539042 /nfs/dbraw/zinc/53/90/42/551539042.db2.gz MPPSWHCDLDWCTO-LJQANCHMSA-N 1 0 373.497 2.373 20 30 FEEDRO CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 ZINC000284412890 551543969 /nfs/dbraw/zinc/54/39/69/551543969.db2.gz XJUMOGKDKLYUJG-NEWSRXKRSA-N 1 0 364.440 2.354 20 30 FEEDRO COc1ccc([C@H](C[NH+](C)C)NC(=O)COc2ccccc2C#N)cc1 ZINC000284461736 551553974 /nfs/dbraw/zinc/55/39/74/551553974.db2.gz TYMHSFLBUAEZHC-SFHVURJKSA-N 1 0 353.422 2.365 20 30 FEEDRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+][C@@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000498489228 561525741 /nfs/dbraw/zinc/52/57/41/561525741.db2.gz WUQCJGAEZFPKGI-QXAKKESOSA-N 1 0 370.497 2.443 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)[C@](C)(O)CSc2cccc(F)c2)CC1 ZINC000285419783 551753819 /nfs/dbraw/zinc/75/38/19/551753819.db2.gz QEPXYNNRENTYTL-GOSISDBHSA-N 1 0 352.475 2.435 20 30 FEEDRO C#CCOc1ccc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)N3CC(=O)N(C)C)cc1 ZINC000285517617 551768785 /nfs/dbraw/zinc/76/87/85/551768785.db2.gz BPTCOQYXXUDPBT-OHSMVPPVSA-N 1 0 369.509 2.433 20 30 FEEDRO C[C@](C#N)(NC(=O)CN1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1)C1CC1 ZINC000285679842 551794519 /nfs/dbraw/zinc/79/45/19/551794519.db2.gz USZLFHIACLNYHB-FGZHOGPDSA-N 1 0 366.509 2.393 20 30 FEEDRO CN(CCC#N)C(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1c1cnn(C)c1 ZINC000285713075 551799449 /nfs/dbraw/zinc/79/94/49/551799449.db2.gz CBFVQWIHGVIAPK-MOPGFXCFSA-N 1 0 351.454 2.008 20 30 FEEDRO C[C@@H]1C[NH+](C)C[C@@H](C)N1C(=O)C1CCN(c2ccc(C#N)cc2F)CC1 ZINC000285800362 551812578 /nfs/dbraw/zinc/81/25/78/551812578.db2.gz PTMXFTWNKISPKS-HUUCEWRRSA-N 1 0 358.461 2.465 20 30 FEEDRO Cn1c(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)ccc1[N+](=O)[O-] ZINC000499060961 561542284 /nfs/dbraw/zinc/54/22/84/561542284.db2.gz XDMDETHFHHTXMP-UHFFFAOYSA-N 1 0 355.398 2.009 20 30 FEEDRO CC(C)[NH+]1CCC(N2CCN(c3cc(N)c([N+](=O)[O-])c(C#N)c3)CC2)CC1 ZINC000286090053 551847628 /nfs/dbraw/zinc/84/76/28/551847628.db2.gz DJPRCQQJCSQKDF-UHFFFAOYSA-N 1 0 372.473 2.043 20 30 FEEDRO N#Cc1ccc(N2CCC([NH2+]CCC(=O)NCc3cccnc3)CC2)cc1 ZINC000286171819 551857138 /nfs/dbraw/zinc/85/71/38/551857138.db2.gz QJTHXKIFXRXGRD-UHFFFAOYSA-N 1 0 363.465 2.218 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N(C)[C@@H](C)c2sc(C)nc2C)CC1 ZINC000286338998 551876302 /nfs/dbraw/zinc/87/63/02/551876302.db2.gz AWQHSJVBLVGEOL-ZDUSSCGKSA-N 1 0 364.515 2.046 20 30 FEEDRO CNC(=O)CC[C@H]1CCCC[N@@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000286386724 551881928 /nfs/dbraw/zinc/88/19/28/551881928.db2.gz IQOVDNOUXBDFCN-MRXNPFEDSA-N 1 0 353.426 2.489 20 30 FEEDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(S(=O)(=O)c2ccc(C#N)o2)C1 ZINC000286844512 551932752 /nfs/dbraw/zinc/93/27/52/551932752.db2.gz KPAJVGKCZPTHOM-CABCVRRESA-N 1 0 351.472 2.426 20 30 FEEDRO C#CC[C@H](Cc1ccccc1)NC(=O)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000286919235 551940228 /nfs/dbraw/zinc/94/02/28/551940228.db2.gz AWPJPNSOIYZLNP-RTWAWAEBSA-N 1 0 370.541 2.192 20 30 FEEDRO C=CCN(CCc1ccco1)C(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000286966283 551945591 /nfs/dbraw/zinc/94/55/91/551945591.db2.gz CJDUJMKEBNFQLV-QGZVFWFLSA-N 1 0 363.502 2.319 20 30 FEEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000287099788 551963231 /nfs/dbraw/zinc/96/32/31/551963231.db2.gz JCCXRLGKXRHOAB-MSOLQXFVSA-N 1 0 373.497 2.199 20 30 FEEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@@H]([NH+]2CCCC2)[C@@H]1C ZINC000287376973 551996385 /nfs/dbraw/zinc/99/63/85/551996385.db2.gz XNBZVXDVQXQTDJ-MAUKXSAKSA-N 1 0 356.470 2.294 20 30 FEEDRO C[C@H](NC(=O)CC1CCCCC1)C(=O)N(CCC#N)CCC[NH+](C)C ZINC000499345353 561549446 /nfs/dbraw/zinc/54/94/46/561549446.db2.gz RODCCIKGIBLJDM-INIZCTEOSA-N 1 0 350.507 2.155 20 30 FEEDRO C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000287581196 552021549 /nfs/dbraw/zinc/02/15/49/552021549.db2.gz XVLPGIDNMWPKAN-RTWAWAEBSA-N 1 0 369.509 2.375 20 30 FEEDRO C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000287678608 552033450 /nfs/dbraw/zinc/03/34/50/552033450.db2.gz AKLMFBOYJOUMRM-IBGZPJMESA-N 1 0 357.498 2.109 20 30 FEEDRO C[NH+]1CCC(C)(CNC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)CC1 ZINC000287847165 552054256 /nfs/dbraw/zinc/05/42/56/552054256.db2.gz MDCSAKJWFSCWCZ-INIZCTEOSA-N 1 0 358.461 2.372 20 30 FEEDRO C=CCN(CCc1ccco1)C(=O)C(=O)NCCC1CC[NH+](CC)CC1 ZINC000287981616 552070646 /nfs/dbraw/zinc/07/06/46/552070646.db2.gz ZYTZHMIKUFTFOF-UHFFFAOYSA-N 1 0 361.486 2.075 20 30 FEEDRO CCN1CCN(C(=O)C(=O)Nc2ccccc2SCCC#N)[C@H](C)C1 ZINC000287982911 552070723 /nfs/dbraw/zinc/07/07/23/552070723.db2.gz VUHAUKQLCDDSKZ-CQSZACIVSA-N 1 0 360.483 2.183 20 30 FEEDRO C=CCCCNC(=O)C(=O)NC1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000288164386 552102567 /nfs/dbraw/zinc/10/25/67/552102567.db2.gz MEZIRXPOFDQSIF-IRXDYDNUSA-N 1 0 357.498 2.342 20 30 FEEDRO C[NH+](C)CCOc1ccccc1CNS(=O)(=O)Cc1ccc(C#N)cc1 ZINC000288329868 552134390 /nfs/dbraw/zinc/13/43/90/552134390.db2.gz LNIKGEVFMIMUJS-UHFFFAOYSA-N 1 0 373.478 2.118 20 30 FEEDRO C[C@H]1CCC[C@H]1CNC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000499915654 561561429 /nfs/dbraw/zinc/56/14/29/561561429.db2.gz PHOYLPPEKPUKTG-LPHOPBHVSA-N 1 0 370.497 2.001 20 30 FEEDRO COCC[N@H+](C)CC[C@H](NC(=O)Cc1noc(C)c1C#N)c1ccccc1 ZINC000499960971 561562973 /nfs/dbraw/zinc/56/29/73/561562973.db2.gz VPKSNEORFDAASF-SFHVURJKSA-N 1 0 370.453 2.223 20 30 FEEDRO [NH2+]=C(NCc1cccc(C(=O)N2CCOCC2)c1)Nc1cc(F)ccc1F ZINC000288799993 552214843 /nfs/dbraw/zinc/21/48/43/552214843.db2.gz YWGVRZHSEQPPFQ-UHFFFAOYSA-N 1 0 374.391 2.364 20 30 FEEDRO COc1ccc(CCNC(=[NH2+])NC[C@@H]2COc3ccccc32)cc1OC ZINC000288801509 552215147 /nfs/dbraw/zinc/21/51/47/552215147.db2.gz ZBRMJJLTLDGBQV-OAHLLOKOSA-N 1 0 355.438 2.327 20 30 FEEDRO C=CCOc1c(Br)cc(C[N@H+](C)CCC(N)=O)cc1OC ZINC000289786913 552378284 /nfs/dbraw/zinc/37/82/84/552378284.db2.gz RWYNRDRLQANWAH-UHFFFAOYSA-N 1 0 357.248 2.330 20 30 FEEDRO C=CCCCNC(=O)C(=O)N(CC)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000289813162 552382505 /nfs/dbraw/zinc/38/25/05/552382505.db2.gz RIKVKOWWGXSAPQ-LJQANCHMSA-N 1 0 357.498 2.439 20 30 FEEDRO C[C@@H]1CCC[C@](CNC(=O)C(=O)Nc2ccc(C#N)c(F)c2)([NH+](C)C)C1 ZINC000289825488 552384889 /nfs/dbraw/zinc/38/48/89/552384889.db2.gz AIMBOLDIWIGKEM-YJYMSZOUSA-N 1 0 360.433 2.263 20 30 FEEDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C(=O)Nc2ccc(C#N)c(F)c2)C1 ZINC000290175459 552438548 /nfs/dbraw/zinc/43/85/48/552438548.db2.gz FNDFNEJTKGKBPN-ZIAGYGMSSA-N 1 0 360.433 2.120 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1cn(C2CCOCC2)nn1)C(C)C ZINC000290218892 552444149 /nfs/dbraw/zinc/44/41/49/552444149.db2.gz WCYUKPKFUXZZBT-GOSISDBHSA-N 1 0 361.490 2.058 20 30 FEEDRO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1cccc(OCCCC#N)c1 ZINC000290345390 552464270 /nfs/dbraw/zinc/46/42/70/552464270.db2.gz NJHRFVWXKFNRKA-OAHLLOKOSA-N 1 0 360.458 2.153 20 30 FEEDRO COc1ccc(CCNC(=[NH2+])NC[C@@]2(CO)C[C@@H]2c2ccccc2)cc1 ZINC000290486864 552487110 /nfs/dbraw/zinc/48/71/10/552487110.db2.gz GNJCAPPTGUJIJE-TZIWHRDSSA-N 1 0 353.466 2.308 20 30 FEEDRO C[NH+](C)CCCOc1cnccc1CNC(=O)c1cccc(CC#N)c1 ZINC000290666520 552516160 /nfs/dbraw/zinc/51/61/60/552516160.db2.gz OVUYHPIUPBTNPI-UHFFFAOYSA-N 1 0 352.438 2.408 20 30 FEEDRO C#C[C@H](NC(=O)NCc1ccccc1C[NH+]1CCC(O)CC1)C(C)(C)C ZINC000290957610 552568576 /nfs/dbraw/zinc/56/85/76/552568576.db2.gz HJPFXLWMDPBNKY-IBGZPJMESA-N 1 0 357.498 2.490 20 30 FEEDRO C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N(C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000291068289 552582891 /nfs/dbraw/zinc/58/28/91/552582891.db2.gz QJZLPOMQFBFNJC-DLBZAZTESA-N 1 0 374.533 2.257 20 30 FEEDRO C=C(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[N@@H+](CC)CC1 ZINC000291172599 552595951 /nfs/dbraw/zinc/59/59/51/552595951.db2.gz ZGQZEZOVRRRVLY-UHFFFAOYSA-N 1 0 369.473 2.034 20 30 FEEDRO C=CCN(C[C@@H](O)c1ccc(C(F)(F)F)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000291178956 552596797 /nfs/dbraw/zinc/59/67/97/552596797.db2.gz NZWLDMPZBADBDJ-HUUCEWRRSA-N 1 0 363.401 2.414 20 30 FEEDRO CCN(CCC#N)C(=O)C[NH+]1CCC([C@@H](O)c2ccc(OC)cc2)CC1 ZINC000291842134 552667248 /nfs/dbraw/zinc/66/72/48/552667248.db2.gz OQQLVLLTVBWZCS-FQEVSTJZSA-N 1 0 359.470 2.203 20 30 FEEDRO Cc1c(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)nnn1C(C)C ZINC000292130213 552696853 /nfs/dbraw/zinc/69/68/53/552696853.db2.gz BTDOFDROZXRZAK-UHFFFAOYSA-N 1 0 354.458 2.243 20 30 FEEDRO Cc1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292280561 552711691 /nfs/dbraw/zinc/71/16/91/552711691.db2.gz SUIYFUKADLFOQV-ROUUACIJSA-N 1 0 353.422 2.155 20 30 FEEDRO COc1ccc(NC(=O)CN2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1 ZINC000292345795 552718061 /nfs/dbraw/zinc/71/80/61/552718061.db2.gz XEQUZGAWPSMPGN-KRWDZBQOSA-N 1 0 352.394 2.054 20 30 FEEDRO CC[NH+](CC)Cc1cccc(CNC(=O)C(=O)Nc2ccc(C#N)cn2)c1 ZINC000293016136 552780640 /nfs/dbraw/zinc/78/06/40/552780640.db2.gz KYBDLKLMNBJXBW-UHFFFAOYSA-N 1 0 365.437 2.050 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cc(Cl)c(F)c(Cl)c1 ZINC000293223227 552800489 /nfs/dbraw/zinc/80/04/89/552800489.db2.gz BUWKVUZLQQWCHU-UHFFFAOYSA-N 1 0 360.216 2.142 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccccc1OC1CCCC1 ZINC000293474122 552827486 /nfs/dbraw/zinc/82/74/86/552827486.db2.gz VDXHYIHOUHYPOL-UHFFFAOYSA-N 1 0 357.454 2.018 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)c1cc(COc2cccc(C(C)=O)c2)on1 ZINC000293958938 552870928 /nfs/dbraw/zinc/87/09/28/552870928.db2.gz KWEIGGDBQNBZPK-UHFFFAOYSA-N 1 0 369.421 2.141 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)[C@@]1(C)CCCN(C(=O)c2ccccc2)C1 ZINC000294050500 552878328 /nfs/dbraw/zinc/87/83/28/552878328.db2.gz UCJLRCFIILWXGE-NRFANRHFSA-N 1 0 355.482 2.000 20 30 FEEDRO C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1CC(=O)N(CCC#N)CCC#N ZINC000501788087 561605553 /nfs/dbraw/zinc/60/55/53/561605553.db2.gz DAMIXEACIZKZGU-RTBURBONSA-N 1 0 367.497 2.237 20 30 FEEDRO CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)c1cscc1C#N ZINC000501816411 561606163 /nfs/dbraw/zinc/60/61/63/561606163.db2.gz IFEDBNREEDIJCA-IBGZPJMESA-N 1 0 355.463 2.329 20 30 FEEDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1S(=O)(=O)Cc1ccc(F)cc1C#N ZINC000295871052 553070104 /nfs/dbraw/zinc/07/01/04/553070104.db2.gz FQJBJFBPHXIHPC-SUMWQHHRSA-N 1 0 351.447 2.086 20 30 FEEDRO C[C@@H]1CN(C(=O)C(=O)Nc2cc(C#N)ccc2Cl)CC[N@@H+](C2CC2)C1 ZINC000295945935 553079647 /nfs/dbraw/zinc/07/96/47/553079647.db2.gz FAKXIKDERDEINX-LBPRGKRZSA-N 1 0 360.845 2.093 20 30 FEEDRO C#CC[N@@H+](C)CCCNC(=O)NCc1cccc(NC(=O)[C@@H](C)CC)c1 ZINC000296502575 553170760 /nfs/dbraw/zinc/17/07/60/553170760.db2.gz YSZQWIPSBKSMOR-INIZCTEOSA-N 1 0 358.486 2.426 20 30 FEEDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1sc(C(C)(C)C)cc1C#N ZINC000296561010 553179839 /nfs/dbraw/zinc/17/98/39/553179839.db2.gz NSYHRJVRMHHSFL-CYBMUJFWSA-N 1 0 362.499 2.456 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)N[C@H]1c2ccccc2CC[C@@H]1n1ccnc1 ZINC000297509506 553301973 /nfs/dbraw/zinc/30/19/73/553301973.db2.gz OYYMDWYJIDIQOA-PMACEKPBSA-N 1 0 365.481 2.366 20 30 FEEDRO COc1cc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc(C)n1 ZINC000503184573 561635952 /nfs/dbraw/zinc/63/59/52/561635952.db2.gz XQZSKQMWTRRIDM-UHFFFAOYSA-N 1 0 352.438 2.474 20 30 FEEDRO C=CCN(Cc1ccccc1)C(=O)C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000298254650 553404032 /nfs/dbraw/zinc/40/40/32/553404032.db2.gz LURISXYKQXOXHJ-FQEVSTJZSA-N 1 0 369.509 2.392 20 30 FEEDRO C[C@@H](c1ccccc1)[C@H]([NH2+]CCC(=O)Nc1ccccc1C#N)C(N)=O ZINC000298404895 553421647 /nfs/dbraw/zinc/42/16/47/553421647.db2.gz OUYJVHBDVNLQIU-LIRRHRJNSA-N 1 0 350.422 2.134 20 30 FEEDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)CNc1ccc(C#N)cn1 ZINC000601707128 553460014 /nfs/dbraw/zinc/46/00/14/553460014.db2.gz VVXURWFCOIGTIX-APWZRJJASA-N 1 0 363.465 2.249 20 30 FEEDRO C[NH+](C)C[C@H](Cc1ccccc1)NS(=O)(=O)Cc1ccc(C#N)cc1 ZINC000298846519 553480427 /nfs/dbraw/zinc/48/04/27/553480427.db2.gz ALOYPKJSLFXGKJ-IBGZPJMESA-N 1 0 357.479 2.151 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1ccccc1 ZINC000298899541 553486850 /nfs/dbraw/zinc/48/68/50/553486850.db2.gz AWYOHGUDSZOXPG-UHFFFAOYSA-N 1 0 350.422 2.087 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@H](CCSC)NC(=O)CC)C(C)C ZINC000298923494 553490201 /nfs/dbraw/zinc/49/02/01/553490201.db2.gz BPXCNVANETUYBA-IRXDYDNUSA-N 1 0 369.575 2.449 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@@H](CCSC)NC(=O)CC)C(C)C ZINC000298923497 553490306 /nfs/dbraw/zinc/49/03/06/553490306.db2.gz BPXCNVANETUYBA-SJORKVTESA-N 1 0 369.575 2.449 20 30 FEEDRO Cn1nnc2cc(C[NH2+][C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)ccc21 ZINC000503915698 561649857 /nfs/dbraw/zinc/64/98/57/561649857.db2.gz XOZQVYCWACQNRD-QGZVFWFLSA-N 1 0 360.421 2.125 20 30 FEEDRO CCCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000299142850 553521020 /nfs/dbraw/zinc/52/10/20/553521020.db2.gz AEBGAVJRWFTXQE-APWZRJJASA-N 1 0 370.497 2.191 20 30 FEEDRO C=CCN(CCc1ccccc1)C(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000299183753 553526641 /nfs/dbraw/zinc/52/66/41/553526641.db2.gz QGZSJACGPRVRMT-WOJBJXKFSA-N 1 0 369.509 2.186 20 30 FEEDRO C[C@H](c1ccc(C#N)cc1)[N@H+](C)CCOc1ccc(S(N)(=O)=O)cc1 ZINC000299345512 553550810 /nfs/dbraw/zinc/55/08/10/553550810.db2.gz FSUOLJMRKGDUAE-CQSZACIVSA-N 1 0 359.451 2.277 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)CCn1cc([N+](=O)[O-])nc1C)C(C)C ZINC000299664796 553599639 /nfs/dbraw/zinc/59/96/39/553599639.db2.gz WXIQUDOBOXHTQP-MRXNPFEDSA-N 1 0 363.462 2.305 20 30 FEEDRO C#CCNC(=O)c1ccc(N[C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)nc1 ZINC000301323915 553642292 /nfs/dbraw/zinc/64/22/92/553642292.db2.gz WXPGFHYXSGECKT-APWZRJJASA-N 1 0 363.465 2.162 20 30 FEEDRO COc1cc(C#N)ccc1OCCCC(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000303042239 553743424 /nfs/dbraw/zinc/74/34/24/553743424.db2.gz SNKZXYFXXYDEJN-UHFFFAOYSA-N 1 0 371.441 2.123 20 30 FEEDRO COc1ccc(CNC(=[NH2+])NCc2ccccc2-n2cccn2)cc1OC ZINC000303888357 553746885 /nfs/dbraw/zinc/74/68/85/553746885.db2.gz OWUPMBOGOKYODH-UHFFFAOYSA-N 1 0 365.437 2.494 20 30 FEEDRO C[C@@H]1CCC[C@](C[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)(N(C)C)C1 ZINC000327064709 553785830 /nfs/dbraw/zinc/78/58/30/553785830.db2.gz YJJBUILXCXHNFO-APWZRJJASA-N 1 0 363.527 2.432 20 30 FEEDRO N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000327624616 553790124 /nfs/dbraw/zinc/79/01/24/553790124.db2.gz OCLYEGPCMKHZPN-ZBFHGGJFSA-N 1 0 358.360 2.077 20 30 FEEDRO O=C(Nc1cccc(C(=O)N2CCCC2)c1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000328598009 553794587 /nfs/dbraw/zinc/79/45/87/553794587.db2.gz AUXORWWHXDLOOF-GOSISDBHSA-N 1 0 354.454 2.414 20 30 FEEDRO C[C@H](NC(=O)C1CCCC1)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC000328753766 553816926 /nfs/dbraw/zinc/81/69/26/553816926.db2.gz SHYBTKYQFISWCN-GJZGRUSLSA-N 1 0 351.491 2.233 20 30 FEEDRO C[C@@H]1C[C@H](CCNC(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)CCO1 ZINC000328757703 553817637 /nfs/dbraw/zinc/81/76/37/553817637.db2.gz VGBCUZFKCCDERU-KZNAEPCWSA-N 1 0 353.507 2.150 20 30 FEEDRO C[C@H](NC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1)c1ccncc1F ZINC000328760528 553818078 /nfs/dbraw/zinc/81/80/78/553818078.db2.gz XIEUCXPZRJCHJK-GJZGRUSLSA-N 1 0 350.438 2.240 20 30 FEEDRO C[N@H+](CC(=O)N[C@@H]1CCN(c2ccccc2F)C1=O)[C@H]1CCSC1 ZINC000328805704 553824957 /nfs/dbraw/zinc/82/49/57/553824957.db2.gz KVRHLTVYFUBXRA-GXTWGEPZSA-N 1 0 351.447 2.325 20 30 FEEDRO C[C@H](C(=O)NCCc1cccs1)[N@@H+]1CCC[C@@H]1[C@@H]1COCC[C@@H]1O ZINC000328846687 553831568 /nfs/dbraw/zinc/83/15/68/553831568.db2.gz VPCQYOYLVOHKIG-XBVQOTNRSA-N 1 0 352.500 2.497 20 30 FEEDRO COCC(=O)N1CCC(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000328895279 553840190 /nfs/dbraw/zinc/84/01/90/553840190.db2.gz BHUTXYDUVSQYMJ-VQIMIIECSA-N 1 0 373.497 2.348 20 30 FEEDRO C[N@@H+]1C[C@H](NC(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)[C@H](c2ccccc2)C1 ZINC000328996855 553861326 /nfs/dbraw/zinc/86/13/26/553861326.db2.gz FSLUBRLWDBTRML-ILXRZTDVSA-N 1 0 369.387 2.452 20 30 FEEDRO C[NH+](C)C1(CNC(=O)N2CCC[C@@H]2[C@@H]2COCC[C@@]2(C)O)CCCCC1 ZINC000329002098 553861928 /nfs/dbraw/zinc/86/19/28/553861928.db2.gz XSWCFZJYVBJWFC-YQVWRLOYSA-N 1 0 367.534 2.417 20 30 FEEDRO COc1ccc2c(c1)OC[C@H](NC(=O)N1CC[C@@H]([NH+]3CCCCC3)C1)C2 ZINC000329007301 553863185 /nfs/dbraw/zinc/86/31/85/553863185.db2.gz NHMIEQWOLDMBFH-IAGOWNOFSA-N 1 0 359.470 2.473 20 30 FEEDRO Cc1noc([C@@H]2CCN([C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)C2)n1 ZINC000329014295 553864441 /nfs/dbraw/zinc/86/44/41/553864441.db2.gz FSYQEHWQRNHOFM-NVXWUHKLSA-N 1 0 351.410 2.235 20 30 FEEDRO C[NH+]1CCC2(CCCN2C(=O)NCC(=O)N2CCc3ccccc3C2)CC1 ZINC000329033201 553868324 /nfs/dbraw/zinc/86/83/24/553868324.db2.gz BNLLVOFBSAXURY-UHFFFAOYSA-N 1 0 370.497 2.046 20 30 FEEDRO CCC(=O)N1CCC[C@H](C(=O)Nc2ccc(N3CC[NH+](C)CC3)cn2)C1 ZINC000329033139 553868524 /nfs/dbraw/zinc/86/85/24/553868524.db2.gz QIJVPWUWDHFMBF-HNNXBMFYSA-N 1 0 359.474 2.070 20 30 FEEDRO Cn1nccc1[C@@H]1OCCC[C@H]1C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000329038912 553869546 /nfs/dbraw/zinc/86/95/46/553869546.db2.gz SBZSFBJDLOFPTE-UNEWFSDZSA-N 1 0 352.504 2.282 20 30 FEEDRO C[C@@H]1CCC[C@](CNC(=O)N2CCOC[C@@H]2[C@@H]2CCC[C@@H]2O)([NH+](C)C)C1 ZINC000329142903 553888555 /nfs/dbraw/zinc/88/85/55/553888555.db2.gz VGUPMAWSLNSRHK-GJNTUIEKSA-N 1 0 367.534 2.273 20 30 FEEDRO C[NH+]1CCC(CCNC(=O)N[C@H]2CC(=O)N(C3CCCCC3)C2)CC1 ZINC000329143376 553888630 /nfs/dbraw/zinc/88/86/30/553888630.db2.gz MAWGYFZCZDAIJJ-INIZCTEOSA-N 1 0 350.507 2.156 20 30 FEEDRO CN1CC[C@@H]([NH+]2CCC(NC(=O)CCc3nc4ccccc4[nH]3)CC2)C1=O ZINC000329152048 553890394 /nfs/dbraw/zinc/89/03/94/553890394.db2.gz BDVKXYBRCCEHHX-QGZVFWFLSA-N 1 0 369.469 2.147 20 30 FEEDRO O=C(Cn1c(=O)[nH]c(=O)c2ccccc21)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000329195945 553899686 /nfs/dbraw/zinc/89/96/86/553899686.db2.gz VNMFSCVYAPOKDM-CYBMUJFWSA-N 1 0 356.426 2.076 20 30 FEEDRO CC[NH+]1CCN([C@H](C)CNC(=O)[C@H]2CCCN2C(=O)C2CCCC2)CC1 ZINC000329208470 553902615 /nfs/dbraw/zinc/90/26/15/553902615.db2.gz BQVPXJRBGCQEBY-SJLPKXTDSA-N 1 0 364.534 2.150 20 30 FEEDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NCc1ccc(S(C)(=O)=O)s1 ZINC000329231680 553907471 /nfs/dbraw/zinc/90/74/71/553907471.db2.gz KUYOIJQFLONZPV-CHWSQXEVSA-N 1 0 371.528 2.124 20 30 FEEDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)N[C@H]1CCOC2(CCOCC2)C1 ZINC000329264355 553913707 /nfs/dbraw/zinc/91/37/07/553913707.db2.gz DSPIETMWXRRLEF-IKGGRYGDSA-N 1 0 351.491 2.187 20 30 FEEDRO Cc1cc(OCC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)c(C)c(C)c1C#N ZINC000506421682 561698390 /nfs/dbraw/zinc/69/83/90/561698390.db2.gz LDEGFDZUNNCPAV-GOSISDBHSA-N 1 0 373.497 2.335 20 30 FEEDRO CC(C)[C@H](C(=O)N[C@@H]1CCCN(S(=O)(=O)C2CC2)C1)[NH+]1CCCCC1 ZINC000329284375 553917603 /nfs/dbraw/zinc/91/76/03/553917603.db2.gz OJXLKYZHKZTKSP-NVXWUHKLSA-N 1 0 371.547 2.410 20 30 FEEDRO O=C(N[C@H]1CC(=O)N(c2ccccc2)C1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000329295656 553919554 /nfs/dbraw/zinc/91/95/54/553919554.db2.gz OONJAIVPDXTCKZ-WMZOPIPTSA-N 1 0 356.470 2.266 20 30 FEEDRO O=C(N[C@H]1CC(=O)N(c2ccccc2)C1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000329295654 553919560 /nfs/dbraw/zinc/91/95/60/553919560.db2.gz OONJAIVPDXTCKZ-FUHWJXTLSA-N 1 0 356.470 2.266 20 30 FEEDRO O=C(N[C@@H]1CCCN(S(=O)(=O)C2CC2)C1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000329309994 553922389 /nfs/dbraw/zinc/92/23/89/553922389.db2.gz ZHJQNDWBBFUVRK-RHSMWYFYSA-N 1 0 369.531 2.307 20 30 FEEDRO CCn1ccnc1[C@H](NC(=O)N1CCC[C@](C)(O)C1)C1CCOCC1 ZINC000329345806 553929203 /nfs/dbraw/zinc/92/92/03/553929203.db2.gz RBFGVWMVUGZXBI-QAPCUYQASA-N 1 0 350.463 2.132 20 30 FEEDRO CC(C)c1nnc2n1C[C@@H]([NH+]=C([O-])N1CCCC13CC[NH+](C)CC3)CC2 ZINC000329351631 553930115 /nfs/dbraw/zinc/93/01/15/553930115.db2.gz UFNFGXDTPSPDGV-HNNXBMFYSA-N 1 0 360.506 2.191 20 30 FEEDRO C[C@H](NC(=O)CS(=O)(=O)NC1CCC(C)CC1)C1=CC[N@H+](C)CC1 ZINC000329360031 553931299 /nfs/dbraw/zinc/93/12/99/553931299.db2.gz XTVFTGTXRRBNAX-BBBYJDLNSA-N 1 0 357.520 2.091 20 30 FEEDRO C[C@@H](NC(=O)CS(=O)(=O)NC1CCC(C)CC1)C1=CC[N@H+](C)CC1 ZINC000329360032 553932049 /nfs/dbraw/zinc/93/20/49/553932049.db2.gz XTVFTGTXRRBNAX-NPCAHTBFSA-N 1 0 357.520 2.091 20 30 FEEDRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCN(c4ccc(C#N)cc4F)C3)C2)C1 ZINC000329383205 553935520 /nfs/dbraw/zinc/93/55/20/553935520.db2.gz OUUWPIPEJGXXQZ-LAUBAEHRSA-N 1 0 370.472 2.468 20 30 FEEDRO C[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCN(c4ccc(C#N)cc4F)C3)C2)C1 ZINC000329383207 553935608 /nfs/dbraw/zinc/93/56/08/553935608.db2.gz OUUWPIPEJGXXQZ-UWJYYQICSA-N 1 0 370.472 2.468 20 30 FEEDRO C[C@H]1CN(C(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2ccnn2C)CCS1 ZINC000329474961 553953848 /nfs/dbraw/zinc/95/38/48/553953848.db2.gz NOOPHRYPPLHQQY-OFQRWUPVSA-N 1 0 351.520 2.154 20 30 FEEDRO Cn1ccnc1[C@H](NC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1F ZINC000329503050 553958789 /nfs/dbraw/zinc/95/87/89/553958789.db2.gz YYQCZJXCPLUQIJ-RHSMWYFYSA-N 1 0 357.433 2.343 20 30 FEEDRO CCO[C@@H]1C[C@H](NC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)[C@]12CCCO2 ZINC000329521283 553961614 /nfs/dbraw/zinc/96/16/14/553961614.db2.gz OUAGNULJMPKZEE-IMBTUZDBSA-N 1 0 351.491 2.187 20 30 FEEDRO C[C@@H]1CN(C(=O)NC2CC[NH+](CC3CCCC3)CC2)C[C@H](C)S1(=O)=O ZINC000329536403 553963984 /nfs/dbraw/zinc/96/39/84/553963984.db2.gz BDHOKYITIMZARY-GASCZTMLSA-N 1 0 371.547 2.062 20 30 FEEDRO CN1CC[C@H]([NH+]2CCC(NC(=O)c3coc(-c4ccccc4)n3)CC2)C1=O ZINC000329625352 553979050 /nfs/dbraw/zinc/97/90/50/553979050.db2.gz GLOWYKTXAOJVRR-KRWDZBQOSA-N 1 0 368.437 2.341 20 30 FEEDRO CC[NH+]1CCN(c2ccccc2NC(=O)N2C[C@@H]3CC[C@@H](O)[C@@H]3C2)CC1 ZINC000329669719 553986074 /nfs/dbraw/zinc/98/60/74/553986074.db2.gz SOPBAJPZXGVUKB-FRQCXROJSA-N 1 0 358.486 2.077 20 30 FEEDRO CN1C(=O)CO[C@H](C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)[C@H]1c1ccccc1 ZINC000329788956 554006035 /nfs/dbraw/zinc/00/60/35/554006035.db2.gz SCORRYOLGYGESN-KYNGSXCRSA-N 1 0 357.454 2.026 20 30 FEEDRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000329812229 554010137 /nfs/dbraw/zinc/01/01/37/554010137.db2.gz RXJVYGDOZCNNFH-MWDXBVQZSA-N 1 0 353.507 2.147 20 30 FEEDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)N[C@@H]1CC(=O)N(c2ccccc2F)C1 ZINC000329823483 554013237 /nfs/dbraw/zinc/01/32/37/554013237.db2.gz QIZOBYYJRPIWCV-BFYDXBDKSA-N 1 0 374.460 2.404 20 30 FEEDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)N[C@@H]3CC(=O)N(c4ccccc4F)C3)CC[C@H]21 ZINC000329842245 554017071 /nfs/dbraw/zinc/01/70/71/554017071.db2.gz WZHAPCFAPCEMFF-BFYDXBDKSA-N 1 0 374.460 2.261 20 30 FEEDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)N[C@@H]3CC(=O)N(c4ccccc4F)C3)CC[C@@H]21 ZINC000329842247 554017113 /nfs/dbraw/zinc/01/71/13/554017113.db2.gz WZHAPCFAPCEMFF-INMHGKMJSA-N 1 0 374.460 2.261 20 30 FEEDRO C[C@@H]1C[C@H](NC(=O)CC[S@](=O)c2ccc3c(c2)OCCO3)CC[N@@H+]1C ZINC000329918660 554031412 /nfs/dbraw/zinc/03/14/12/554031412.db2.gz ZWZZALJPDTYFCT-IEBYYPBYSA-N 1 0 366.483 2.395 20 30 FEEDRO CC(=O)N1CCC[C@H](CNC(=O)NCC2([NH+](C)C)CCCCCC2)C1 ZINC000329929697 554033683 /nfs/dbraw/zinc/03/36/83/554033683.db2.gz NRDXDMAXMKSPAK-QGZVFWFLSA-N 1 0 352.523 2.403 20 30 FEEDRO CN1C[C@H](NC(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)CC1=O ZINC000329938643 554035353 /nfs/dbraw/zinc/03/53/53/554035353.db2.gz AKVVRIJMOZGPHD-GOSISDBHSA-N 1 0 358.486 2.297 20 30 FEEDRO C[C@H](CNC(=O)N1C[C@]2(CCOC2)OC(C)(C)C1)[NH+]1CCC(C)CC1 ZINC000329938724 554035386 /nfs/dbraw/zinc/03/53/86/554035386.db2.gz ANGGCNGEPFZBRY-APWZRJJASA-N 1 0 353.507 2.291 20 30 FEEDRO C[C@@H]1CN(C(=O)NCC2([NH+](C)C)CCCCCC2)C[C@@]2(CCOC2)O1 ZINC000329939814 554035461 /nfs/dbraw/zinc/03/54/61/554035461.db2.gz UDJUCSQZCYYIQC-VQIMIIECSA-N 1 0 353.507 2.435 20 30 FEEDRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)N[C@H]1CCOC2(CCCCC2)C1 ZINC000329959686 554039323 /nfs/dbraw/zinc/03/93/23/554039323.db2.gz NKFQIACYUROMEP-MSOLQXFVSA-N 1 0 366.550 2.398 20 30 FEEDRO CC(=O)N[C@H](CC1CCC1)C(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC000329962673 554039528 /nfs/dbraw/zinc/03/95/28/554039528.db2.gz SHAWNGRDUJBLGG-RDTXWAMCSA-N 1 0 351.491 2.233 20 30 FEEDRO CCO[C@@H]1C[C@H](NC(=O)N2CCCC23CC[NH+](C)CC3)C12CCOCC2 ZINC000329983463 554043918 /nfs/dbraw/zinc/04/39/18/554043918.db2.gz PPAZDWDBANGTND-DLBZAZTESA-N 1 0 365.518 2.435 20 30 FEEDRO CCC[N@@H+]1CCC[C@@H]1C(=O)Nc1cccc(CC(=O)N2CCN(C)CC2)c1 ZINC000329985922 554044507 /nfs/dbraw/zinc/04/45/07/554044507.db2.gz RKQYHBCCAHEMHL-LJQANCHMSA-N 1 0 372.513 2.466 20 30 FEEDRO CC(=O)N1CCC[C@H](CNC(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)C1 ZINC000329989313 554045052 /nfs/dbraw/zinc/04/50/52/554045052.db2.gz HYCSZFKPIUVGJW-DOTOQJQBSA-N 1 0 352.523 2.259 20 30 FEEDRO COC1(CNC(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CCCCC1 ZINC000330062861 554057483 /nfs/dbraw/zinc/05/74/83/554057483.db2.gz BDOSBCJJJOKTOW-IAGOWNOFSA-N 1 0 353.507 2.217 20 30 FEEDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)c2cn([C@@H]3CCOC3)nn2)CC1 ZINC000330071004 554059166 /nfs/dbraw/zinc/05/91/66/554059166.db2.gz XRIDNDDVKSTKQG-RHSMWYFYSA-N 1 0 370.457 2.165 20 30 FEEDRO CC(=O)N1CCN(C(=O)NC[C@@H]2CCC[N@@H+]2CC2CCCCC2)[C@H](C)C1 ZINC000330084842 554061862 /nfs/dbraw/zinc/06/18/62/554061862.db2.gz LGEXFZQYXLAXGZ-APWZRJJASA-N 1 0 364.534 2.498 20 30 FEEDRO Cc1ccnc(N2CCN(C(=O)NC3C[C@H]4CCC[C@@H](C3)[N@H+]4C)CC2)c1 ZINC000330134237 554071435 /nfs/dbraw/zinc/07/14/35/554071435.db2.gz MHHSHLJFMCJCHV-AYHJJNSGSA-N 1 0 357.502 2.441 20 30 FEEDRO CCn1cc([C@@H]2NC(=O)CC[C@H]2NC(=O)N2CC[NH+](C3CCC3)CC2)cn1 ZINC000330179446 554079490 /nfs/dbraw/zinc/07/94/90/554079490.db2.gz MKKPOLXUTXJSNU-AEFFLSMTSA-N 1 0 374.489 2.147 20 30 FEEDRO Cc1ccc(NC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1N1CCNC1=O ZINC000330206284 554085168 /nfs/dbraw/zinc/08/51/68/554085168.db2.gz DDLHZMJKSKVHES-HZPDHXFCSA-N 1 0 357.458 2.491 20 30 FEEDRO O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)N1CCOC[C@@H](C2CCC2)C1 ZINC000330222956 554088004 /nfs/dbraw/zinc/08/80/04/554088004.db2.gz SCLXGRDEIIQZOW-UHOSZYNNSA-N 1 0 365.518 2.027 20 30 FEEDRO C[C@@H]1C[C@@H](CCNC(=O)N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)CCO1 ZINC000330231920 554089942 /nfs/dbraw/zinc/08/99/42/554089942.db2.gz RGCNYJWKDIFREZ-BBWFWOEESA-N 1 0 353.507 2.291 20 30 FEEDRO CC[C@@]1(O)CCN(C(=O)NCC2([NH+]3CCSCC3)CCCCC2)C1 ZINC000330240137 554091346 /nfs/dbraw/zinc/09/13/46/554091346.db2.gz BKERFUJTVLHYCS-GOSISDBHSA-N 1 0 355.548 2.499 20 30 FEEDRO CC[C@]1(O)CCN(C(=O)NCC2([NH+]3CCSCC3)CCCCC2)C1 ZINC000330240140 554091664 /nfs/dbraw/zinc/09/16/64/554091664.db2.gz BKERFUJTVLHYCS-SFHVURJKSA-N 1 0 355.548 2.499 20 30 FEEDRO CC(C)(C)S(=O)(=O)N1CCC(NC(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC000330248103 554093013 /nfs/dbraw/zinc/09/30/13/554093013.db2.gz ZDSILUUXBWNELT-INIZCTEOSA-N 1 0 371.547 2.410 20 30 FEEDRO Cn1nc(NC(=O)NC2CC[NH+](CC3CCCC3)CC2)cc1OC(F)F ZINC000330257931 554094619 /nfs/dbraw/zinc/09/46/19/554094619.db2.gz QYZJZBIBMFBWRX-UHFFFAOYSA-N 1 0 371.432 3.002 20 30 FEEDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CC(=O)N(C)[C@H]2c2ccnn2C)C1 ZINC000330262087 554095020 /nfs/dbraw/zinc/09/50/20/554095020.db2.gz UQWGBQFXZPPOCS-IIDMSEBBSA-N 1 0 361.490 2.016 20 30 FEEDRO COC1CCC(CNC(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)CC1 ZINC000330306023 554102536 /nfs/dbraw/zinc/10/25/36/554102536.db2.gz LDAAPKKQFURMET-UHFFFAOYSA-N 1 0 366.550 2.254 20 30 FEEDRO CCN(C[C@H](C)C#N)S(=O)(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000330385919 554114405 /nfs/dbraw/zinc/11/44/05/554114405.db2.gz LSLXXITWTRUDBM-KURKYZTESA-N 1 0 370.563 2.299 20 30 FEEDRO CNS(=O)(=O)c1cccc(C(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)c1 ZINC000330541279 554135428 /nfs/dbraw/zinc/13/54/28/554135428.db2.gz ABDPVRUINZLSMX-CQSZACIVSA-N 1 0 353.488 2.020 20 30 FEEDRO Cc1cc(C(=O)NCC2=CC[N@H+](C)CC2)cc(S(=O)(=O)N(C)C)c1C ZINC000330682198 554157007 /nfs/dbraw/zinc/15/70/07/554157007.db2.gz HHKMNYWAATVRPH-UHFFFAOYSA-N 1 0 365.499 2.120 20 30 FEEDRO C=C(C)CN(C)c1nnc(CN2CC[NH+](Cc3ccc(C)cc3)CC2)n1C ZINC000508609295 561767401 /nfs/dbraw/zinc/76/74/01/561767401.db2.gz CDRUSRCPPKYKBF-UHFFFAOYSA-N 1 0 368.529 2.454 20 30 FEEDRO CC(C)Oc1c(F)cc(NC(=O)NC[C@H]2C[N@H+](C)CCN2C)cc1F ZINC000330806597 554174293 /nfs/dbraw/zinc/17/42/93/554174293.db2.gz HREBLXQFXIDHDU-ZDUSSCGKSA-N 1 0 356.417 2.324 20 30 FEEDRO CS[C@@H]1CN(C(=O)Nc2cccnc2OCC(F)F)C[C@H]1[NH+](C)C ZINC000330813555 554174618 /nfs/dbraw/zinc/17/46/18/554174618.db2.gz LHEXTKRWMITAFI-VXGBXAGGSA-N 1 0 360.430 2.248 20 30 FEEDRO COCC[N@@H+]1CC[C@H](NC(=O)NCc2cc(Br)cs2)C1 ZINC000330838389 554177743 /nfs/dbraw/zinc/17/77/43/554177743.db2.gz MFKQJZGHXGXOGG-NSHDSACASA-N 1 0 362.293 2.235 20 30 FEEDRO CC(C)NC(=O)NC1(C(=O)NCC[N@@H+]2CCC[C@@H](C)C2)CCCCC1 ZINC000330970423 554195681 /nfs/dbraw/zinc/19/56/81/554195681.db2.gz JJKKJBBUSUUSFI-MRXNPFEDSA-N 1 0 352.523 2.449 20 30 FEEDRO Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000330970051 554195808 /nfs/dbraw/zinc/19/58/08/554195808.db2.gz FGYXXDQHUCAVAY-DZGCQCFKSA-N 1 0 351.495 2.184 20 30 FEEDRO CC(C)(C)[NH+]1CCC(NC(=O)c2ccc(S(N)(=O)=O)c(F)c2)CC1 ZINC000331039766 554205163 /nfs/dbraw/zinc/20/51/63/554205163.db2.gz PRNDUDAKELHZRY-UHFFFAOYSA-N 1 0 357.451 2.041 20 30 FEEDRO C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@H](C2CCCC2)C(F)(F)F)[C@H](C)C1 ZINC000331188711 554228389 /nfs/dbraw/zinc/22/83/89/554228389.db2.gz PUZAVLNQNYLDCF-MBNYWOFBSA-N 1 0 351.413 2.408 20 30 FEEDRO CCOC(=O)c1cnc(NC(=O)NC2CC[NH+](C(C)(C)C)CC2)n1C ZINC000331241967 554235408 /nfs/dbraw/zinc/23/54/08/554235408.db2.gz NOOIUVATOOZMHW-UHFFFAOYSA-N 1 0 351.451 2.186 20 30 FEEDRO C[C@@H]1CN(C(=O)C(C)(C)NC(=O)c2ccccc2)CC[N@@H+]1CC(C)(C)O ZINC000331299388 554243607 /nfs/dbraw/zinc/24/36/07/554243607.db2.gz QASHPSQKQQPLLI-OAHLLOKOSA-N 1 0 361.486 2.073 20 30 FEEDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2CCC[C@@H](CNC(N)=O)C2)C1 ZINC000331335905 554248553 /nfs/dbraw/zinc/24/85/53/554248553.db2.gz UUXGXLDYMZBCSV-CVEARBPZSA-N 1 0 353.511 2.063 20 30 FEEDRO C=CCn1c([C@@H](C)OCCOC)nnc1N1CCC([NH+]2CCCC2)CC1 ZINC000508916757 561778231 /nfs/dbraw/zinc/77/82/31/561778231.db2.gz HZBPOOKENIRFCT-MRXNPFEDSA-N 1 0 363.506 2.253 20 30 FEEDRO CC1(c2cccc(Br)c2)CC[NH+](CC(=O)NCC#N)CC1 ZINC000509056327 561783072 /nfs/dbraw/zinc/78/30/72/561783072.db2.gz NNYPZLPDHBFYLW-UHFFFAOYSA-N 1 0 350.260 2.442 20 30 FEEDRO Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N3CCC[C@@H]3C[NH+](C)C)C2)n1 ZINC000331606531 554293650 /nfs/dbraw/zinc/29/36/50/554293650.db2.gz OQTQTMJJMZSTFR-QZTJIDSGSA-N 1 0 355.486 2.031 20 30 FEEDRO Cc1onc(CC(=O)N2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c1C#N ZINC000331643871 554300753 /nfs/dbraw/zinc/30/07/53/554300753.db2.gz PVEGAEDTNDCROD-HUUCEWRRSA-N 1 0 374.485 2.135 20 30 FEEDRO CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCN(c3nc(C)ccc3C#N)C2)C1 ZINC000331874946 554336130 /nfs/dbraw/zinc/33/61/30/554336130.db2.gz PCXHQDAYDWMORG-QZTJIDSGSA-N 1 0 355.486 2.079 20 30 FEEDRO N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000332222225 554403841 /nfs/dbraw/zinc/40/38/41/554403841.db2.gz AULPOQYXRLCEMT-ZIAGYGMSSA-N 1 0 373.400 2.482 20 30 FEEDRO N#Cc1ccc(Cl)c(NC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)c1 ZINC000332226085 554405006 /nfs/dbraw/zinc/40/50/06/554405006.db2.gz XIIHQRYLGKBEFV-AWEZNQCLSA-N 1 0 360.845 2.237 20 30 FEEDRO C[C@@H](C[NH+](C)C)NC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000509756034 561812905 /nfs/dbraw/zinc/81/29/05/561812905.db2.gz PROXLMPCWIPQAV-AWEZNQCLSA-N 1 0 366.421 2.355 20 30 FEEDRO C=C(CNC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)cc1)c1ccccc1 ZINC000510016121 561821887 /nfs/dbraw/zinc/82/18/87/561821887.db2.gz DSWRAMFJLBDZRL-UHFFFAOYSA-N 1 0 367.449 2.395 20 30 FEEDRO Cc1c(C#N)cccc1NC(=O)C(=O)N[C@H](C[NH+](C)C)c1ccc(F)cc1 ZINC000510019989 561822174 /nfs/dbraw/zinc/82/21/74/561822174.db2.gz ZXNVLJYNGPJWEZ-GOSISDBHSA-N 1 0 368.412 2.363 20 30 FEEDRO C[C@@H]1C[C@@H](NC(=O)N2CCN(c3cccc(F)c3C#N)CC2)CC[N@@H+]1C ZINC000332534704 554465854 /nfs/dbraw/zinc/46/58/54/554465854.db2.gz IKNPAJUTWNSUAC-CABCVRRESA-N 1 0 359.449 2.012 20 30 FEEDRO C[C@H]1C[C@H](NC(=O)N2CCN(c3cccc(F)c3C#N)CC2)CC[N@@H+]1C ZINC000332534707 554466013 /nfs/dbraw/zinc/46/60/13/554466013.db2.gz IKNPAJUTWNSUAC-LSDHHAIUSA-N 1 0 359.449 2.012 20 30 FEEDRO C[C@H](C#N)C(=O)NCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000510383557 561832921 /nfs/dbraw/zinc/83/29/21/561832921.db2.gz DSQJVQPJOUTICG-CQSZACIVSA-N 1 0 368.403 2.493 20 30 FEEDRO C[C@H]1CCN(C(=O)Nc2nn(C)cc2C#N)CC[N@@H+]1Cc1ccccc1 ZINC000610561656 554528674 /nfs/dbraw/zinc/52/86/74/554528674.db2.gz AQMUHURDVVHUBF-HNNXBMFYSA-N 1 0 352.442 2.420 20 30 FEEDRO Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)NC[C@H]3CC[N@@H+](C4CC4)C3)C2)n1 ZINC000332942224 554546420 /nfs/dbraw/zinc/54/64/20/554546420.db2.gz UDBTWNYFYQOGEZ-SJLPKXTDSA-N 1 0 367.497 2.079 20 30 FEEDRO CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H]2CCC[C@@H]3O[C@H](CC#N)C[C@@H]32)ncn1 ZINC000360054780 554861482 /nfs/dbraw/zinc/86/14/82/554861482.db2.gz GHWUSVOMJTZJSJ-ZKXLYKBJSA-N 1 0 370.501 2.317 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@@](O)(c3ccc(F)cc3)C2)CC1 ZINC000360791316 554890204 /nfs/dbraw/zinc/89/02/04/554890204.db2.gz FKTDSINDJFOGRV-FQEVSTJZSA-N 1 0 361.461 2.469 20 30 FEEDRO COc1cc(C#N)ccc1OCCCC(=O)N1CC[C@@H]2CC[N@H+](C)[C@H]2C1 ZINC000361904449 554937551 /nfs/dbraw/zinc/93/75/51/554937551.db2.gz ACDFCIWXIAMFEG-IRXDYDNUSA-N 1 0 357.454 2.278 20 30 FEEDRO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)[C@]2(C#N)CCc3ccccc3C2)CC1 ZINC000362026154 554945071 /nfs/dbraw/zinc/94/50/71/554945071.db2.gz VJQFOLHDOYMAHA-HTAPYJJXSA-N 1 0 369.509 2.236 20 30 FEEDRO C[C@H]([NH2+]CC(=O)N1CCC(C(=O)N2CCCC2)CC1)c1ccc(C#N)cc1 ZINC000362487518 554975134 /nfs/dbraw/zinc/97/51/34/554975134.db2.gz QEBCFZYAYPTPSW-INIZCTEOSA-N 1 0 368.481 2.070 20 30 FEEDRO C[C@@H]1CN(c2nc3c(cc2C#N)CCCC3)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000362660267 554979241 /nfs/dbraw/zinc/97/92/41/554979241.db2.gz VSDSOFKIJSULDH-UZLBHIALSA-N 1 0 353.514 2.294 20 30 FEEDRO Cc1c(C#N)cccc1NC(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000362688146 554980963 /nfs/dbraw/zinc/98/09/63/554980963.db2.gz SKARTFMBIZTTSA-HNAYVOBHSA-N 1 0 355.486 2.356 20 30 FEEDRO N#CCC[C@H](NC(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1ccccc1 ZINC000362788265 554988579 /nfs/dbraw/zinc/98/85/79/554988579.db2.gz OQRGDWIDNFTIFC-IPMKNSEASA-N 1 0 356.470 2.272 20 30 FEEDRO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@@H+]1CCCC12CCOCC2 ZINC000363109347 555032373 /nfs/dbraw/zinc/03/23/73/555032373.db2.gz QPGAEFTZPCRKQW-UHFFFAOYSA-N 1 0 365.437 2.327 20 30 FEEDRO C[C@H]1C[C@H](C)C[NH+](C2CCN(S(=O)(=O)c3ccc(C#N)nc3)CC2)C1 ZINC000363207163 555054061 /nfs/dbraw/zinc/05/40/61/555054061.db2.gz YDDALHOYCTYZBC-GJZGRUSLSA-N 1 0 362.499 2.084 20 30 FEEDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C1 ZINC000363350742 555083602 /nfs/dbraw/zinc/08/36/02/555083602.db2.gz CKTCMVILFMRHCD-QZTJIDSGSA-N 1 0 370.501 2.094 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)[C@H]2CCCCN2C(=O)c2ccccc2)CC1 ZINC000363388240 555092312 /nfs/dbraw/zinc/09/23/12/555092312.db2.gz RJOYAXSJHYAOHM-LJQANCHMSA-N 1 0 355.482 2.448 20 30 FEEDRO C[NH+](C)CCN1CCCN(C(=O)CCCCOc2cccc(C#N)c2)CC1 ZINC000363516656 555125306 /nfs/dbraw/zinc/12/53/06/555125306.db2.gz ADJKFBXYZVMFQV-UHFFFAOYSA-N 1 0 372.513 2.203 20 30 FEEDRO COC(=O)[C@H](N[C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@@H]1C)c1cccc(C#N)c1 ZINC000363707160 555168591 /nfs/dbraw/zinc/16/85/91/555168591.db2.gz PSTIWXUNFLYMIH-YGWPLHOASA-N 1 0 371.481 2.251 20 30 FEEDRO CC(C)[C@H](Oc1ccccc1C#N)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000363709073 555168734 /nfs/dbraw/zinc/16/87/34/555168734.db2.gz LBLXYZHMPIKOBR-ICSRJNTNSA-N 1 0 371.481 2.331 20 30 FEEDRO CCN(C[C@@H](C)C#N)C(=O)CN1CCC[C@@H]1c1ccc(CNC(C)=O)o1 ZINC000364079082 555245892 /nfs/dbraw/zinc/24/58/92/555245892.db2.gz JJPPRLULXAFQQI-WMLDXEAASA-N 1 0 360.458 2.061 20 30 FEEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000364161499 555260608 /nfs/dbraw/zinc/26/06/08/555260608.db2.gz MNRPXKVSJFCGBR-IEBWSBKVSA-N 1 0 359.470 2.256 20 30 FEEDRO Cc1cccc(S(=O)(=O)N2C[C@H]([NH3+])[C@@H](c3ccc(F)cc3)C2)c1C#N ZINC000364291717 555285691 /nfs/dbraw/zinc/28/56/91/555285691.db2.gz OXSTVYCIIXIDJL-SJORKVTESA-N 1 0 359.426 2.121 20 30 FEEDRO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC[C@@]2(C1)c1ccccc1NC2=O ZINC000364434593 555313685 /nfs/dbraw/zinc/31/36/85/555313685.db2.gz NNPZYNIIESYWPF-YCRPNKLZSA-N 1 0 366.465 2.313 20 30 FEEDRO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CCC[C@H]2Cc2ccccc2)CC1 ZINC000512450303 561905352 /nfs/dbraw/zinc/90/53/52/561905352.db2.gz QRHVDDUEIOMCFL-LEWJYISDSA-N 1 0 368.525 2.386 20 30 FEEDRO C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N2CCC(C#N)CC2)[C@@H]1c1cccs1 ZINC000512764181 561914705 /nfs/dbraw/zinc/91/47/05/561914705.db2.gz BVPDHRTXNSNIGB-DOTOQJQBSA-N 1 0 374.510 2.009 20 30 FEEDRO Cc1cc(C#N)ccc1S(=O)(=O)N1C[C@H]([NH3+])[C@@H](c2ccc(F)cc2)C1 ZINC000364913817 555435920 /nfs/dbraw/zinc/43/59/20/555435920.db2.gz MMPGKQBSFOTPRC-SJORKVTESA-N 1 0 359.426 2.121 20 30 FEEDRO CC1(C)C[N@@H+](C2(CNC(=O)c3cnccc3C#N)CCCCC2)CCO1 ZINC000513203656 561929012 /nfs/dbraw/zinc/92/90/12/561929012.db2.gz HXXPQKSYHKWNOI-UHFFFAOYSA-N 1 0 356.470 2.497 20 30 FEEDRO CC[N@@H+](CC(=O)N1CCCCCC1)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000513222077 561929764 /nfs/dbraw/zinc/92/97/64/561929764.db2.gz FXPXRFADIDTAKT-GOSISDBHSA-N 1 0 359.470 2.022 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N2C[C@@H](C3CCCCC3)C[C@H]2C(=O)OC)CC1 ZINC000365738603 555655749 /nfs/dbraw/zinc/65/57/49/555655749.db2.gz CYZVVJCKFUVFPT-OALUTQOASA-N 1 0 360.498 2.302 20 30 FEEDRO N#Cc1cccc(OCCCCC(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000366189233 555776071 /nfs/dbraw/zinc/77/60/71/555776071.db2.gz DNNHPDDCNXJAOI-LJQANCHMSA-N 1 0 371.481 2.477 20 30 FEEDRO Cc1ccc(OC[C@H](O)C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1 ZINC000366378508 555826985 /nfs/dbraw/zinc/82/69/85/555826985.db2.gz OLKIFCKVDHJOGE-IEBWSBKVSA-N 1 0 353.422 2.155 20 30 FEEDRO COC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](Cc2cc(C#N)ccc2OC)CC1 ZINC000366439819 555844384 /nfs/dbraw/zinc/84/43/84/555844384.db2.gz OANJFJVFXAEGGC-MJGOQNOKSA-N 1 0 358.438 2.357 20 30 FEEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@@H]2C[NH2+]CCC[C@@H]21 ZINC000366448146 555847012 /nfs/dbraw/zinc/84/70/12/555847012.db2.gz MCANZSXMXFYEJL-QAPCUYQASA-N 1 0 356.470 2.199 20 30 FEEDRO CCN(CCC#N)C(=O)C[N@@H+]1CC[C@H]2[C@H](CCN2C(=O)OC(C)(C)C)C1 ZINC000366536156 555870769 /nfs/dbraw/zinc/87/07/69/555870769.db2.gz QSXTZHGNEJVCEG-CVEARBPZSA-N 1 0 364.490 2.080 20 30 FEEDRO C#CCOc1ccc(C[NH2+]CC(=O)N[C@H]2CCOc3ccccc32)cc1 ZINC000367067029 556000705 /nfs/dbraw/zinc/00/07/05/556000705.db2.gz PTMOOXGDFBGJQI-IBGZPJMESA-N 1 0 350.418 2.428 20 30 FEEDRO C#CCCCNC(=O)N1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000367757922 556131613 /nfs/dbraw/zinc/13/16/13/556131613.db2.gz BSVRSZOREBCZSW-HXUWFJFHSA-N 1 0 354.498 2.002 20 30 FEEDRO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3ccc(N4CCOCC4)cc3)C2)nc1 ZINC000367776702 556136437 /nfs/dbraw/zinc/13/64/37/556136437.db2.gz GDAKKBUEMVSQDH-HXUWFJFHSA-N 1 0 364.449 2.443 20 30 FEEDRO C[C@@H](CNC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)[NH+]1CCCC1 ZINC000514991895 561990454 /nfs/dbraw/zinc/99/04/54/561990454.db2.gz LWAVPXMLLLVTFW-ZFWWWQNUSA-N 1 0 374.872 2.165 20 30 FEEDRO N#Cc1ccc(N2C(=O)C[C@@H]([N@@H+]3CC[C@@H](Cc4ccncc4)C3)C2=O)cc1 ZINC000368076407 556211914 /nfs/dbraw/zinc/21/19/14/556211914.db2.gz POKBXZQYNDNOEO-PKOBYXMFSA-N 1 0 360.417 2.150 20 30 FEEDRO N#Cc1ccc(N2C(=O)C[C@@H]([N@@H+]3CC[C@H](Cc4ccncc4)C3)C2=O)cc1 ZINC000368076405 556212047 /nfs/dbraw/zinc/21/20/47/556212047.db2.gz POKBXZQYNDNOEO-IEBWSBKVSA-N 1 0 360.417 2.150 20 30 FEEDRO CC(C)S(=O)(=O)N1CCC([NH2+]C2CC(C#N)(c3ccccc3)C2)CC1 ZINC000368680694 556383589 /nfs/dbraw/zinc/38/35/89/556383589.db2.gz OYHRPYPFFKIBME-UHFFFAOYSA-N 1 0 361.511 2.403 20 30 FEEDRO CCC[N@@H+]1CC[C@@H](CNC(=O)Nc2cc(C)n(-c3cccc(C#N)c3)n2)C1 ZINC000368880957 556437317 /nfs/dbraw/zinc/43/73/17/556437317.db2.gz WESXKVBVJMPAJT-KRWDZBQOSA-N 1 0 366.469 2.906 20 30 FEEDRO N#CC[C@@H]1CC[C@H](NC(=O)NC[C@@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)C1 ZINC000515607998 562016829 /nfs/dbraw/zinc/01/68/29/562016829.db2.gz SLMHBGWVUKNYPR-DSLXNQLJSA-N 1 0 356.470 2.003 20 30 FEEDRO N#CCC1(CS(=O)(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)CC1 ZINC000515708394 562019960 /nfs/dbraw/zinc/01/99/60/562019960.db2.gz JDNZQVUTQKKFQH-CQSZACIVSA-N 1 0 353.513 2.498 20 30 FEEDRO C=C(C)CN1CCC([NH2+]C[C@@H](O)COc2ccc(NC(C)=O)cc2)CC1 ZINC000515832549 562023033 /nfs/dbraw/zinc/02/30/33/562023033.db2.gz ZSWKROPDTAWKAA-LJQANCHMSA-N 1 0 361.486 2.015 20 30 FEEDRO CCC[N@@H+]1CC[C@@H](CNC(=O)N2CCC(C#N)(c3ccccn3)CC2)C1 ZINC000369105811 556506714 /nfs/dbraw/zinc/50/67/14/556506714.db2.gz BACFIKSQFHGUJP-KRWDZBQOSA-N 1 0 355.486 2.380 20 30 FEEDRO Cn1cc2c(n1)CCC[C@@H]2C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000369173058 556524932 /nfs/dbraw/zinc/52/49/32/556524932.db2.gz DQQFQNNOIRVPLH-SFHVURJKSA-N 1 0 365.481 2.302 20 30 FEEDRO Cn1cc([C@H](O)C[C@@H]2CCC[N@@H+]2CCC(=O)Nc2sccc2C#N)cn1 ZINC000369284441 556564535 /nfs/dbraw/zinc/56/45/35/556564535.db2.gz RDKDUYAZOHDDSV-JKSUJKDBSA-N 1 0 373.482 2.270 20 30 FEEDRO Cn1cc([C@@H]2[C@@H](CNC(=O)NCc3ccc(C#N)cc3)CCC[N@@H+]2C)cn1 ZINC000369427843 556598473 /nfs/dbraw/zinc/59/84/73/556598473.db2.gz RXBOZHAZKFYVOH-MJGOQNOKSA-N 1 0 366.469 2.174 20 30 FEEDRO N#Cc1ccc(OCCNC(=O)c2cnn(CC[NH+]3CCCCC3)c2)cc1 ZINC000369672708 556664690 /nfs/dbraw/zinc/66/46/90/556664690.db2.gz RUJAOGUYAIXXDF-UHFFFAOYSA-N 1 0 367.453 2.049 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)[C@H]2CCN(c3cccc(Cl)c3)C2=O)CC1 ZINC000369757316 556686482 /nfs/dbraw/zinc/68/64/82/556686482.db2.gz KXCSYUGCVGVPJS-GOSISDBHSA-N 1 0 373.884 2.297 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)[C@H]2CCN(c3cc(C)cc(C)c3)C2=O)CC1 ZINC000369758000 556686629 /nfs/dbraw/zinc/68/66/29/556686629.db2.gz RPIHTGAFECFWSN-HXUWFJFHSA-N 1 0 367.493 2.260 20 30 FEEDRO C[C@H](NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)c1cnn(C)c1 ZINC000369792329 556696488 /nfs/dbraw/zinc/69/64/88/556696488.db2.gz GPFPETKDWXJHTO-INIZCTEOSA-N 1 0 366.469 2.270 20 30 FEEDRO N#Cc1ccc(CNC(=O)C[NH+]2CCC(COc3ccccn3)CC2)cc1 ZINC000369907490 556727139 /nfs/dbraw/zinc/72/71/39/556727139.db2.gz YXHLJGZBGZEEKJ-UHFFFAOYSA-N 1 0 364.449 2.360 20 30 FEEDRO CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1cccs1 ZINC000370295249 556832524 /nfs/dbraw/zinc/83/25/24/556832524.db2.gz VMRQRHUPBDOLJG-FMKPAKJESA-N 1 0 370.544 2.057 20 30 FEEDRO N#Cc1c(Cl)cccc1S(=O)(=O)N1CCC[C@H]2C[NH2+]CCC[C@H]21 ZINC000370607823 556920630 /nfs/dbraw/zinc/92/06/30/556920630.db2.gz ZDWSVGOEUSZFPU-SWLSCSKDSA-N 1 0 353.875 2.364 20 30 FEEDRO Cc1cc(NC(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)nn1-c1cccc(C#N)c1 ZINC000370696062 556942528 /nfs/dbraw/zinc/94/25/28/556942528.db2.gz FGRCEZVQLCYDSN-IRXDYDNUSA-N 1 0 364.453 2.801 20 30 FEEDRO C=CCOc1ccccc1C(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000370840785 556986693 /nfs/dbraw/zinc/98/66/93/556986693.db2.gz XBVGNQMVQKODHL-GOSISDBHSA-N 1 0 357.498 2.492 20 30 FEEDRO CN(CCC#N)C[C@H](O)C[NH2+][C@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000517145915 562077543 /nfs/dbraw/zinc/07/75/43/562077543.db2.gz SPHPEJRDZCVDES-CZUORRHYSA-N 1 0 360.285 2.213 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)c2cccc(NS(=O)(=O)CCC)c2)CC1 ZINC000517312443 562084865 /nfs/dbraw/zinc/08/48/65/562084865.db2.gz WWYRXKSUULSOJT-UHFFFAOYSA-N 1 0 365.499 2.219 20 30 FEEDRO COc1ccc(CN2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cc1OCCCC#N ZINC000371325385 557146852 /nfs/dbraw/zinc/14/68/52/557146852.db2.gz DMDGGNMUBBRIEI-RBUKOAKNSA-N 1 0 373.497 2.409 20 30 FEEDRO C[C@H](Oc1ccccc1C#N)C(=O)N1CCC(C)(C[NH+]2CCOCC2)CC1 ZINC000371362772 557161308 /nfs/dbraw/zinc/16/13/08/557161308.db2.gz APIRBBYDCKEDOE-KRWDZBQOSA-N 1 0 371.481 2.286 20 30 FEEDRO CC1(C)C[N@@H+](C2(CNC(=O)c3ccc(C#N)cn3)CCCCC2)CCO1 ZINC000517483069 562091098 /nfs/dbraw/zinc/09/10/98/562091098.db2.gz VOGKBOAYKRJLPT-UHFFFAOYSA-N 1 0 356.470 2.497 20 30 FEEDRO Cc1cccn2c(CN3C[C@@H](C#N)[C@@]4(C3)c3ccccc3NC4=O)cnc12 ZINC000371454636 557190107 /nfs/dbraw/zinc/19/01/07/557190107.db2.gz AUTBFIPRXQHJES-VFNWGFHPSA-N 1 0 357.417 2.488 20 30 FEEDRO Cc1cccn2c(CN3C[C@@H](C#N)[C@]4(C3)c3ccccc3NC4=O)cnc12 ZINC000371454635 557190161 /nfs/dbraw/zinc/19/01/61/557190161.db2.gz AUTBFIPRXQHJES-QVKFZJNVSA-N 1 0 357.417 2.488 20 30 FEEDRO Cc1cccc2ncc(CN3C[C@H](C#N)[C@]4(C3)c3ccccc3NC4=O)n21 ZINC000371456164 557190225 /nfs/dbraw/zinc/19/02/25/557190225.db2.gz FUOVREYPPNTYBP-YCRPNKLZSA-N 1 0 357.417 2.488 20 30 FEEDRO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCC2(C[C@@H]2C(=O)N(C)C2CC2)CC1 ZINC000371546348 557217392 /nfs/dbraw/zinc/21/73/92/557217392.db2.gz ZOALZQVALJYVCH-FUHWJXTLSA-N 1 0 359.514 2.298 20 30 FEEDRO CS(=O)(=O)[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCCN(c2ccccc2C#N)C1 ZINC000371552893 557220095 /nfs/dbraw/zinc/22/00/95/557220095.db2.gz KBSYUBDUARDFIO-JENIJYKNSA-N 1 0 361.511 2.472 20 30 FEEDRO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1CCCN(C)c1ccccc1 ZINC000517735291 562096772 /nfs/dbraw/zinc/09/67/72/562096772.db2.gz HRURPDHVSZTHFU-KRWDZBQOSA-N 1 0 350.470 2.385 20 30 FEEDRO N#Cc1ccc(OC[C@H](O)C[NH2+]Cc2ccc(OCC3CC3)nc2)cc1 ZINC000518169536 562105521 /nfs/dbraw/zinc/10/55/21/562105521.db2.gz XKQNUYOYGJYEFQ-GOSISDBHSA-N 1 0 353.422 2.272 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2C[C@H](OCC)[C@@]23CCCO3)CC1 ZINC000371937464 557333754 /nfs/dbraw/zinc/33/37/54/557333754.db2.gz LLUYELRHUQGFSM-ZIFCJYIRSA-N 1 0 351.491 2.053 20 30 FEEDRO CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)Nc3ccc(CC#N)cc3)C2)CC1 ZINC000371942729 557334808 /nfs/dbraw/zinc/33/48/08/557334808.db2.gz NCXCZAJWSWASPZ-LJQANCHMSA-N 1 0 355.486 2.385 20 30 FEEDRO COc1ccc(C#N)cc1C[NH+]1CCC(C(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000372192531 557404714 /nfs/dbraw/zinc/40/47/14/557404714.db2.gz URQCWDUYIUDSTJ-HOTGVXAUSA-N 1 0 371.481 2.415 20 30 FEEDRO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@H]1C(=O)N(CC)CC ZINC000519273451 562128319 /nfs/dbraw/zinc/12/83/19/562128319.db2.gz AKRQNCZNIRMPEI-MOPGFXCFSA-N 1 0 360.498 2.488 20 30 FEEDRO C=CCc1ccc(OC[C@@H](O)C[NH2+]Cc2c(C)nn(C)c2C)c(OC)c1 ZINC000519141346 562125683 /nfs/dbraw/zinc/12/56/83/562125683.db2.gz AOPSRLWBKSDFPO-KRWDZBQOSA-N 1 0 359.470 2.304 20 30 FEEDRO N#Cc1ccccc1Cn1cccc1CN1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000372462704 557477404 /nfs/dbraw/zinc/47/74/04/557477404.db2.gz IRSHHPHPDITEHY-FGZHOGPDSA-N 1 0 364.493 2.439 20 30 FEEDRO C=CCN(C(=O)Cn1ccc([N+](=O)[O-])n1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000372600364 557517373 /nfs/dbraw/zinc/51/73/73/557517373.db2.gz MQOGXAXBIYRSQE-QGZVFWFLSA-N 1 0 369.425 2.080 20 30 FEEDRO C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1NC(=O)NCc1ccc(C#N)cc1 ZINC000372653761 557530286 /nfs/dbraw/zinc/53/02/86/557530286.db2.gz FTTFAKWSMRSVNF-ATZDWAIDSA-N 1 0 356.470 2.247 20 30 FEEDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C1CCN(c2oc(C)nc2C#N)CC1 ZINC000372753535 557554887 /nfs/dbraw/zinc/55/48/87/557554887.db2.gz UDRDLNNQCVLNCV-SJORKVTESA-N 1 0 371.485 2.156 20 30 FEEDRO CCOC(=O)c1n[nH]c(C2CC[NH+](Cc3cc(C#N)ccc3OC)CC2)n1 ZINC000373116358 557631947 /nfs/dbraw/zinc/63/19/47/557631947.db2.gz VAYFDRMNXOAVJW-UHFFFAOYSA-N 1 0 369.425 2.241 20 30 FEEDRO Cc1nn(C)c(C)c1[C@@H]1COCCN1CCC(=O)Nc1sccc1C#N ZINC000373153603 557639698 /nfs/dbraw/zinc/63/96/98/557639698.db2.gz MRZCYIYMCBZLQU-HNNXBMFYSA-N 1 0 373.482 2.372 20 30 FEEDRO C=CCCCCC[NH+]1CCN([C@@H]2CCCN(c3cnn(C)c3)C2=O)CC1 ZINC000373281795 557664642 /nfs/dbraw/zinc/66/46/42/557664642.db2.gz AAILTBLKSDIOAH-LJQANCHMSA-N 1 0 359.518 2.280 20 30 FEEDRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1Cc1ncc(-c2ccc(C#N)cc2)o1 ZINC000373438552 557693598 /nfs/dbraw/zinc/69/35/98/557693598.db2.gz HABWOHIMCYFZKC-OAHLLOKOSA-N 1 0 354.454 2.490 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1NC(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000520347103 562153982 /nfs/dbraw/zinc/15/39/82/562153982.db2.gz ZUHPDXXPJWSODV-CVSAEHQPSA-N 1 0 361.408 2.434 20 30 FEEDRO COCCN(CC[NH+](C)C)C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000520355444 562154089 /nfs/dbraw/zinc/15/40/89/562154089.db2.gz UCHJHWIXUYTCSN-UHFFFAOYSA-N 1 0 368.437 2.396 20 30 FEEDRO C#CCNC(=O)[C@@H](C)[NH+]1CCC([C@H]2c3ccc(Cl)cc3NC2=O)CC1 ZINC000373984168 557801160 /nfs/dbraw/zinc/80/11/60/557801160.db2.gz YIATYIJWDWZWBE-PXAZEXFGSA-N 1 0 359.857 2.226 20 30 FEEDRO C[NH+]1CCC2(CCCN(C(=O)C(=O)Nc3ccc(C#N)c(Cl)c3)C2)CC1 ZINC000374114369 557825836 /nfs/dbraw/zinc/82/58/36/557825836.db2.gz LGEZTLSUDKSNHO-UHFFFAOYSA-N 1 0 374.872 2.485 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C2CC2)CCO1 ZINC000374222361 557845745 /nfs/dbraw/zinc/84/57/45/557845745.db2.gz KPFGSLRWCZHTMD-NVXWUHKLSA-N 1 0 363.527 2.104 20 30 FEEDRO C[C@@H](CC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)n1ccnc1 ZINC000521051542 562168445 /nfs/dbraw/zinc/16/84/45/562168445.db2.gz DVFUKWBEKWWZAQ-KRWDZBQOSA-N 1 0 351.454 2.440 20 30 FEEDRO N#CC1(c2ccccn2)CCN(C(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000374490733 557890571 /nfs/dbraw/zinc/89/05/71/557890571.db2.gz BXTRPJXXZXMGQG-UHFFFAOYSA-N 1 0 353.470 2.275 20 30 FEEDRO N#Cc1ccc2ncc(C[NH+]3CCC4(C[C@H]4C(=O)N4CCCC4)CC3)n2c1 ZINC000374814639 557935152 /nfs/dbraw/zinc/93/51/52/557935152.db2.gz BKVWDLUTJQGQSH-SFHVURJKSA-N 1 0 363.465 2.430 20 30 FEEDRO C[NH+]1CCC(C#N)(NC(=O)COc2ccc(Br)cc2F)CC1 ZINC000521241674 562172707 /nfs/dbraw/zinc/17/27/07/562172707.db2.gz ZMZLBTFRRXMRCN-UHFFFAOYSA-N 1 0 370.222 2.071 20 30 FEEDRO C#CCOc1ccc([C@H](C)[NH2+][C@@H]2CCC(=O)N[C@H]2c2cncn2C)cc1 ZINC000375517605 558042087 /nfs/dbraw/zinc/04/20/87/558042087.db2.gz XBALDVFOBPFFHF-JNAXZKDPSA-N 1 0 352.438 2.103 20 30 FEEDRO C[C@@H]1C[N@H+](Cc2cccc(OCCCC#N)c2)C[C@H]1C(=O)N1CCOCC1 ZINC000375529736 558044072 /nfs/dbraw/zinc/04/40/72/558044072.db2.gz KFWURAXMFBWIGW-YLJYHZDGSA-N 1 0 371.481 2.296 20 30 FEEDRO N#Cc1cccc(C[NH2+]C[C@H]2CCN(S(=O)(=O)c3cccs3)C2)c1 ZINC000375737602 558074793 /nfs/dbraw/zinc/07/47/93/558074793.db2.gz CULCTPUCXNAINY-MRXNPFEDSA-N 1 0 361.492 2.420 20 30 FEEDRO Cn1ccc(N2CC[C@H]([NH2+]C3CCN(Cc4ccc(C#N)cc4)CC3)C2)n1 ZINC000375853027 558089380 /nfs/dbraw/zinc/08/93/80/558089380.db2.gz VSQCSOAQNWHNAT-FQEVSTJZSA-N 1 0 364.497 2.125 20 30 FEEDRO CC(C)n1nc2c(cc1=O)CN([C@H](C)C(=O)Nc1cccc(C#N)c1)CC2 ZINC000375884592 558093627 /nfs/dbraw/zinc/09/36/27/558093627.db2.gz VTDNZHFMGUHECO-CQSZACIVSA-N 1 0 365.437 2.081 20 30 FEEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+][C@@H]2COc3ccc(F)cc3C2)c1 ZINC000521614269 562180185 /nfs/dbraw/zinc/18/01/85/562180185.db2.gz FQQSOPJNZAPEOP-INIZCTEOSA-N 1 0 360.410 2.064 20 30 FEEDRO CC(C)NC(=O)CCCC(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000376181965 558137818 /nfs/dbraw/zinc/13/78/18/558137818.db2.gz PGYXDUTYNMECDM-UHFFFAOYSA-N 1 0 370.497 2.356 20 30 FEEDRO C[C@@H]1C[C@H](NC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)C[N@@H+]1C1CC1 ZINC000376220072 558143458 /nfs/dbraw/zinc/14/34/58/558143458.db2.gz HTHWBDYVSYYHTN-BMFZPTHFSA-N 1 0 356.445 2.265 20 30 FEEDRO C[N@@H+]1CCN(CCNC(=O)N2CCC(C)(C#N)CC2)[C@@H](c2ccccc2)C1 ZINC000376502452 558181889 /nfs/dbraw/zinc/18/18/89/558181889.db2.gz WGCSNNYNJHBMJV-LJQANCHMSA-N 1 0 369.513 2.310 20 30 FEEDRO C[N@H+](CCNC(=O)C1CCN(c2c(F)cc(C#N)cc2F)CC1)C1CC1 ZINC000376637743 558201399 /nfs/dbraw/zinc/20/13/99/558201399.db2.gz CJJURNWMWAVGBT-UHFFFAOYSA-N 1 0 362.424 2.263 20 30 FEEDRO N#Cc1cc(S(=O)(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)ccc1C(F)(F)F ZINC000376722035 558213275 /nfs/dbraw/zinc/21/32/75/558213275.db2.gz HKGJIHNQCMBZBA-HNNXBMFYSA-N 1 0 373.400 2.341 20 30 FEEDRO Cc1nn(C)c(C)c1[C@H]1[C@H](C[NH2+]Cc2ccc(C#N)cc2)CC(=O)N1C ZINC000376910901 558237845 /nfs/dbraw/zinc/23/78/45/558237845.db2.gz KEOLOXMSSIEIES-FXAWDEMLSA-N 1 0 351.454 2.218 20 30 FEEDRO C[NH+](C)C[C@@H]1CCN(C(=O)NCC2CCN(c3ccccc3C#N)CC2)C1 ZINC000376940316 558242047 /nfs/dbraw/zinc/24/20/47/558242047.db2.gz SGHCPCOJTJSSEM-SFHVURJKSA-N 1 0 369.513 2.368 20 30 FEEDRO C[C@H]1CN(C(=O)C2(c3ccc(C#N)cc3)CC2)CCN1C1CC[NH+](C)CC1 ZINC000376965746 558245497 /nfs/dbraw/zinc/24/54/97/558245497.db2.gz BHQKQBJOAVRPRB-KRWDZBQOSA-N 1 0 366.509 2.217 20 30 FEEDRO C=C(CNC(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1)c1ccccc1 ZINC000377006634 558250787 /nfs/dbraw/zinc/25/07/87/558250787.db2.gz SFGMHRLJPNTMJW-QUCCMNQESA-N 1 0 356.514 2.367 20 30 FEEDRO C[NH2+]C[C@@H]1CCCN1C(=O)NC1CCC(Oc2ncccc2C#N)CC1 ZINC000522007626 562189024 /nfs/dbraw/zinc/18/90/24/562189024.db2.gz FVKMUDJWWWOKDA-CGZBRXJRSA-N 1 0 357.458 2.037 20 30 FEEDRO N#Cc1cccnc1-n1cc(NC(=O)NCC2CC[NH+](C3CC3)CC2)cn1 ZINC000377267079 558302251 /nfs/dbraw/zinc/30/22/51/558302251.db2.gz NOHNELQZVIPHAH-UHFFFAOYSA-N 1 0 365.441 2.135 20 30 FEEDRO CCc1nc(CN2C[C@H]3C[NH+](Cc4ccc(C#N)cc4F)C[C@@H]3C2)no1 ZINC000377431376 558339585 /nfs/dbraw/zinc/33/95/85/558339585.db2.gz HXNUQXWGZVUGPS-HZPDHXFCSA-N 1 0 355.417 2.207 20 30 FEEDRO CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1[C@@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000377562404 558364810 /nfs/dbraw/zinc/36/48/10/558364810.db2.gz DWHGZDYAMRCSCZ-RYQLBKOJSA-N 1 0 360.502 2.193 20 30 FEEDRO CN1CC[C@H]([NH2+]C[C@H](O)COc2ccc(C#N)cc2)[C@@H]1c1ccc(F)cc1 ZINC000377644519 558384982 /nfs/dbraw/zinc/38/49/82/558384982.db2.gz FNFCGUMNMPVGFD-JBACZVJFSA-N 1 0 369.440 2.472 20 30 FEEDRO Cc1cn2c(n1)CC[C@H]([NH2+][C@@H](C)C(=O)N(CCC#N)c1ccccc1)C2 ZINC000377822955 558426787 /nfs/dbraw/zinc/42/67/87/558426787.db2.gz DVPVNQKWFGEJEI-IRXDYDNUSA-N 1 0 351.454 2.431 20 30 FEEDRO Cc1cn2c(n1)CC[C@@H]([NH2+][C@H](C)C(=O)N(CCC#N)c1ccccc1)C2 ZINC000377822954 558426866 /nfs/dbraw/zinc/42/68/66/558426866.db2.gz DVPVNQKWFGEJEI-IAGOWNOFSA-N 1 0 351.454 2.431 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)NC[C@]2(COC)OCCc3ccccc32)CC1 ZINC000378079427 558476061 /nfs/dbraw/zinc/47/60/61/558476061.db2.gz ZPAZXNSINFSXJG-OAQYLSRUSA-N 1 0 373.497 2.051 20 30 FEEDRO C#Cc1ccccc1CC(=O)N1CCC(CC[NH+]2CCN(C)CC2)CC1 ZINC000378127596 558487244 /nfs/dbraw/zinc/48/72/44/558487244.db2.gz GGTSMQVDELHKHC-UHFFFAOYSA-N 1 0 353.510 2.087 20 30 FEEDRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)c1cccc(Nc2ccc(C#N)cc2)c1 ZINC000523138339 562208808 /nfs/dbraw/zinc/20/88/08/562208808.db2.gz OKNDQTOFVIMBQG-FQEVSTJZSA-N 1 0 363.465 2.277 20 30 FEEDRO C=CCN(CC=C)C(=O)CN1CCc2cc(OC)c(OC)c(OC)c2CC1 ZINC000378194389 558500369 /nfs/dbraw/zinc/50/03/69/558500369.db2.gz YDWJAGCBBUNCBT-UHFFFAOYSA-N 1 0 374.481 2.314 20 30 FEEDRO C[C@H]1CN(C(=O)CSc2ccc(C#N)cc2)CCN1C1CC[NH+](C)CC1 ZINC000378371128 558541687 /nfs/dbraw/zinc/54/16/87/558541687.db2.gz PFWSCQRFRQUGOF-INIZCTEOSA-N 1 0 372.538 2.277 20 30 FEEDRO FC(F)(F)Oc1ccc(C#CCN2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000378406862 558549370 /nfs/dbraw/zinc/54/93/70/558549370.db2.gz TYKYYVQNBNQQDU-INIZCTEOSA-N 1 0 354.372 2.343 20 30 FEEDRO C[C@@H](CNC(=O)c1ccc(C#Cc2ccccc2)cc1)N1CC[NH+](C)CC1 ZINC000523697765 562218159 /nfs/dbraw/zinc/21/81/59/562218159.db2.gz ZNHRPUMXSZULMU-IBGZPJMESA-N 1 0 361.489 2.452 20 30 FEEDRO Cc1ncc(S(=O)(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)cc1C#N ZINC000389949561 558610096 /nfs/dbraw/zinc/61/00/96/558610096.db2.gz RSAUWFRXNQWRSH-KUHUBIRLSA-N 1 0 370.478 2.061 20 30 FEEDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NS(=O)(=O)Cc1ccc(C#N)cc1 ZINC000389879666 558610185 /nfs/dbraw/zinc/61/01/85/558610185.db2.gz NMZWXXXQYGBVLV-JXFKEZNVSA-N 1 0 369.490 2.498 20 30 FEEDRO Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N3CCC[C@H]([NH+](C)C)CC3)C2)n1 ZINC000408277756 558663438 /nfs/dbraw/zinc/66/34/38/558663438.db2.gz RDZWMMVBNCJRMN-MOPGFXCFSA-N 1 0 369.513 2.421 20 30 FEEDRO CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000409507493 558698842 /nfs/dbraw/zinc/69/88/42/558698842.db2.gz ODOOSJAMNLPEIH-KRWDZBQOSA-N 1 0 370.563 2.301 20 30 FEEDRO CCN(C[C@@H](C)C#N)S(=O)(=O)NCc1cccc(C[NH+](CC)CC)c1 ZINC000409585172 558705480 /nfs/dbraw/zinc/70/54/80/558705480.db2.gz CUSNAVFIPZHROM-INIZCTEOSA-N 1 0 366.531 2.344 20 30 FEEDRO Cc1cc(NC(=O)[C@@H](C)n2cnc(C#N)n2)ccc1OCC[NH+]1CCCC1 ZINC000409715321 558716225 /nfs/dbraw/zinc/71/62/25/558716225.db2.gz GPXINVKBSBOVPK-OAHLLOKOSA-N 1 0 368.441 2.133 20 30 FEEDRO CC[N@H+](CCC1CCN(C(=O)[C@H](C)n2cnc(C#N)n2)CC1)CC(C)C ZINC000409893223 558725408 /nfs/dbraw/zinc/72/54/08/558725408.db2.gz XRSAVAQVUPZBPW-INIZCTEOSA-N 1 0 360.506 2.317 20 30 FEEDRO C[C@H]1C[C@H](NS(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)CC[N@@H+]1C ZINC000410161452 558743432 /nfs/dbraw/zinc/74/34/32/558743432.db2.gz KTNLXNGIHPVYSQ-CMPLNLGQSA-N 1 0 361.389 2.338 20 30 FEEDRO C=CCN1C(=O)c2ccc(C(=O)N(C)[C@@H]3CC[N@@H+](CC)C[C@@H]3C)cc2C1=O ZINC000525030878 562239521 /nfs/dbraw/zinc/23/95/21/562239521.db2.gz DKHHIPRNRTUPLR-KBXCAEBGSA-N 1 0 369.465 2.271 20 30 FEEDRO Cc1cc(NC(=O)C(=O)N(C[C@@H](C)C#N)C2CC2)ccc1OCC[NH+](C)C ZINC000411421160 558891955 /nfs/dbraw/zinc/89/19/55/558891955.db2.gz VOPPZDKXIFUHII-AWEZNQCLSA-N 1 0 372.469 2.025 20 30 FEEDRO C[C@H](O)CC[NH+]1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 ZINC000411419626 558891962 /nfs/dbraw/zinc/89/19/62/558891962.db2.gz HCOJOTGGLGPUEE-BBRMVZONSA-N 1 0 352.276 2.402 20 30 FEEDRO CCO[C@@H]1COCC[C@@H]1[NH2+]CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000411554257 558916368 /nfs/dbraw/zinc/91/63/68/558916368.db2.gz FGKWMYCLDUZZTJ-LSDHHAIUSA-N 1 0 363.483 2.221 20 30 FEEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCc4nn[nH]c4C3)sc2C1 ZINC000411621741 558930835 /nfs/dbraw/zinc/93/08/35/558930835.db2.gz RHRSUGZBGPKZPJ-LLVKDONJSA-N 1 0 370.482 2.250 20 30 FEEDRO C[NH+](C)CCN(Cc1ccsc1)C(=O)C(=O)Nc1cccc(CC#N)c1 ZINC000411690461 558944766 /nfs/dbraw/zinc/94/47/66/558944766.db2.gz FXNSRFPQFSCBGQ-UHFFFAOYSA-N 1 0 370.478 2.343 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2ccn(C3CCCCC3)n2)c1C#N ZINC000525942868 562260564 /nfs/dbraw/zinc/26/05/64/562260564.db2.gz OLRQHJLMEJRFJE-UHFFFAOYSA-N 1 0 355.446 2.387 20 30 FEEDRO N#Cc1ccccc1NC(=O)CC[N@H+]1CC[C@](C(N)=O)(c2ccccc2)C1 ZINC000411961507 558995740 /nfs/dbraw/zinc/99/57/40/558995740.db2.gz FIVSDHFKYJAWOO-OAQYLSRUSA-N 1 0 362.433 2.016 20 30 FEEDRO N#Cc1ccc(NC(=O)CC[N@H+]2CC[C@@](C(N)=O)(c3ccccc3)C2)cc1 ZINC000411966536 558996641 /nfs/dbraw/zinc/99/66/41/558996641.db2.gz LUQDMDVNIJIYNY-NRFANRHFSA-N 1 0 362.433 2.016 20 30 FEEDRO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1C[C@H](C(N)=O)[C@@H](c2ccccc2)C1 ZINC000411984560 558999425 /nfs/dbraw/zinc/99/94/25/558999425.db2.gz RGUXTFXDWCWSAM-OLMNPRSZSA-N 1 0 362.433 2.086 20 30 FEEDRO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@@H](c1ccccc1)C1(CO)CCOCC1 ZINC000412009517 559001892 /nfs/dbraw/zinc/00/18/92/559001892.db2.gz JIHUJSIAOADBTO-PXNSSMCTSA-N 1 0 373.497 2.115 20 30 FEEDRO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@H](CO)[C@@H]2C)cc1 ZINC000412095556 559012945 /nfs/dbraw/zinc/01/29/45/559012945.db2.gz XXDTVEQRNMUUFQ-DLBZAZTESA-N 1 0 359.470 2.425 20 30 FEEDRO C[C@H]1[C@H](CO)CCC[N@@H+]1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000412100079 559013535 /nfs/dbraw/zinc/01/35/35/559013535.db2.gz XEOJJCXTJBIWEJ-HOCLYGCPSA-N 1 0 368.399 2.266 20 30 FEEDRO C[C@@H](NC(=O)c1ccc(C(C)(C)C#N)cc1)C(=O)NCC[NH+]1CCCCC1 ZINC000412319068 559027482 /nfs/dbraw/zinc/02/74/82/559027482.db2.gz HOOHCYBXGUEQMM-MRXNPFEDSA-N 1 0 370.497 2.208 20 30 FEEDRO CC#CCCCC(=O)NCc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000412871639 559060624 /nfs/dbraw/zinc/06/06/24/559060624.db2.gz CAQJLTSJTFVATA-UHFFFAOYSA-N 1 0 355.482 2.194 20 30 FEEDRO N#Cc1cnc(N2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)c(F)c1 ZINC000413286736 559095629 /nfs/dbraw/zinc/09/56/29/559095629.db2.gz ZQTFAZQMCUGMIA-IBGZPJMESA-N 1 0 365.456 2.489 20 30 FEEDRO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNc1nc(C)cc(C#N)n1 ZINC000413535982 559114871 /nfs/dbraw/zinc/11/48/71/559114871.db2.gz QNXZRKKSUGCSGN-IEBWSBKVSA-N 1 0 351.454 2.606 20 30 FEEDRO C[C@H]([NH2+]CC(C)(C)CC#N)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000414163474 559151245 /nfs/dbraw/zinc/15/12/45/559151245.db2.gz ITGMHODVKGJBNZ-HNNXBMFYSA-N 1 0 365.499 2.298 20 30 FEEDRO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCC[C@@H](CNC(=O)c2ccccc2)C1 ZINC000527048444 562274675 /nfs/dbraw/zinc/27/46/75/562274675.db2.gz SRFDRPDFHKGIBF-IRXDYDNUSA-N 1 0 368.481 2.079 20 30 FEEDRO C=CCN(CC1CCCCC1)C(=O)C(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000414820620 559189459 /nfs/dbraw/zinc/18/94/59/559189459.db2.gz CKBUTBXKRIBNOG-QGZVFWFLSA-N 1 0 370.497 2.431 20 30 FEEDRO C=CCOc1cccc(NC(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)c1 ZINC000415016624 559200749 /nfs/dbraw/zinc/20/07/49/559200749.db2.gz QCTBUQOGKHFNBV-MJGOQNOKSA-N 1 0 372.469 2.020 20 30 FEEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000415208791 559215112 /nfs/dbraw/zinc/21/51/12/559215112.db2.gz HCJLPMJADLTFBD-UHFFFAOYSA-N 1 0 369.469 2.466 20 30 FEEDRO N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N3CCC([NH3+])CC3)cc2)cc1 ZINC000415271272 559220174 /nfs/dbraw/zinc/22/01/74/559220174.db2.gz RRNGKLOQINJKDF-UHFFFAOYSA-N 1 0 364.405 2.239 20 30 FEEDRO C[C@@H](NC(=O)C(=O)Nc1sc(C(C)(C)C)cc1C#N)[C@@H]1CCC[NH2+]C1 ZINC000415360462 559227433 /nfs/dbraw/zinc/22/74/33/559227433.db2.gz ZHUPTILYEYIITP-VXGBXAGGSA-N 1 0 362.499 2.360 20 30 FEEDRO CC(C)c1ccc([C@H]([NH3+])CNC(=O)C(=O)Nc2cccc(C#N)c2)cc1 ZINC000415381287 559229313 /nfs/dbraw/zinc/22/93/13/559229313.db2.gz NIKVASZAQQVCNS-GOSISDBHSA-N 1 0 350.422 2.436 20 30 FEEDRO CC(C)c1ccc([C@H]([NH3+])CNC(=O)C(=O)Nc2sccc2C#N)cc1 ZINC000415384491 559229748 /nfs/dbraw/zinc/22/97/48/559229748.db2.gz UATMYKMSPYWUMC-OAHLLOKOSA-N 1 0 356.451 2.498 20 30 FEEDRO C[NH2+]C[C@H](C)CNC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000415418307 559233563 /nfs/dbraw/zinc/23/35/63/559233563.db2.gz RLQAHEHLEQBSSA-AWEZNQCLSA-N 1 0 366.421 2.261 20 30 FEEDRO C[C@H](CCCC[NH3+])NC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 ZINC000415438170 559236826 /nfs/dbraw/zinc/23/68/26/559236826.db2.gz CFWYJJRCUJIGRA-GFCCVEGCSA-N 1 0 360.849 3.036 20 30 FEEDRO N#Cc1ccccc1Oc1ccc(NC(=O)C(=O)N[C@H](C[NH3+])C2CC2)cc1 ZINC000415457135 559239215 /nfs/dbraw/zinc/23/92/15/559239215.db2.gz SGXYTGJDYIUQRL-QGZVFWFLSA-N 1 0 364.405 2.143 20 30 FEEDRO C[NH2+]CCC1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2OC(C)C)CC1 ZINC000415555663 559249276 /nfs/dbraw/zinc/24/92/76/559249276.db2.gz VBXSZJLOYUZGHE-UHFFFAOYSA-N 1 0 372.469 2.132 20 30 FEEDRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N ZINC000415565028 559250293 /nfs/dbraw/zinc/25/02/93/559250293.db2.gz QOBBRYOPELGCLH-WMLDXEAASA-N 1 0 369.469 2.389 20 30 FEEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000415584476 559252698 /nfs/dbraw/zinc/25/26/98/559252698.db2.gz SOQCAMZNFUJXLG-IFXJQAMLSA-N 1 0 374.510 2.383 20 30 FEEDRO CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)N(CC[NH3+])Cc1ccccc1 ZINC000415600715 559254231 /nfs/dbraw/zinc/25/42/31/559254231.db2.gz ZBGOCCLBVMPJGP-UHFFFAOYSA-N 1 0 367.453 2.041 20 30 FEEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000415684616 559261649 /nfs/dbraw/zinc/26/16/49/559261649.db2.gz XSSKAMHSNANVFO-LSDHHAIUSA-N 1 0 374.510 2.464 20 30 FEEDRO CC(C)(C)c1cc(C#N)c(NC(=O)C(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)s1 ZINC000415801715 559272435 /nfs/dbraw/zinc/27/24/35/559272435.db2.gz FNMMFBNXQIVZES-WCQYABFASA-N 1 0 362.499 2.489 20 30 FEEDRO N#Cc1ccc(NC(=O)C(=O)NCCC[C@H]2CCC[NH2+]2)cc1C(F)(F)F ZINC000415807288 559273253 /nfs/dbraw/zinc/27/32/53/559273253.db2.gz QNORCSADFNZWLE-GFCCVEGCSA-N 1 0 368.359 2.164 20 30 FEEDRO N#Cc1ccccc1N1CCCN(C(=O)N[C@H](CC[NH3+])C(F)(F)F)CC1 ZINC000415994097 559287688 /nfs/dbraw/zinc/28/76/88/559287688.db2.gz KLBKRRGNTFBBGG-OAHLLOKOSA-N 1 0 369.391 2.060 20 30 FEEDRO C[NH+](C)[C@H](CC(=O)N1CCN(c2cc(C#N)ccn2)CC1)c1ccccc1 ZINC000416140249 559293953 /nfs/dbraw/zinc/29/39/53/559293953.db2.gz SJQQMCNMUUMSOJ-LJQANCHMSA-N 1 0 363.465 2.295 20 30 FEEDRO C[C@@H](C#N)S(=O)(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000416380348 559308719 /nfs/dbraw/zinc/30/87/19/559308719.db2.gz AEPVGIKDZJWAFY-ZDUSSCGKSA-N 1 0 355.891 2.383 20 30 FEEDRO C[C@H](CNC(=O)N[C@H]1CCCc2cc(C#N)ccc21)C[NH+]1CCN(C)CC1 ZINC000416688323 559329790 /nfs/dbraw/zinc/32/97/90/559329790.db2.gz PABOJIAUIACLEO-UZLBHIALSA-N 1 0 369.513 2.118 20 30 FEEDRO CCO[C@H](CC[NH+](C)C)CNC(=O)Nc1cc(C)c(N(C)C)cc1C#N ZINC000417127891 559349169 /nfs/dbraw/zinc/34/91/69/559349169.db2.gz HGQWSGBCXSPIJK-MRXNPFEDSA-N 1 0 361.490 2.411 20 30 FEEDRO C=C(C)Cn1c(-c2ncccn2)nnc1N1CCC([NH+]2CCCC2)CC1 ZINC000417506892 559365175 /nfs/dbraw/zinc/36/51/75/559365175.db2.gz QMNSESGNHJCRSN-UHFFFAOYSA-N 1 0 353.474 2.376 20 30 FEEDRO N#Cc1ccc(N2CCN(C(=O)NC[C@@H]([NH3+])c3ccccc3)CC2)c(F)c1 ZINC000418456791 559402305 /nfs/dbraw/zinc/40/23/05/559402305.db2.gz UIEZQLFMJSRPLP-GOSISDBHSA-N 1 0 367.428 2.229 20 30 FEEDRO CCCC[C@@H](C[NH3+])NC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000418473570 559402992 /nfs/dbraw/zinc/40/29/92/559402992.db2.gz UANKAJMZMQWHRN-SFHVURJKSA-N 1 0 371.485 2.436 20 30 FEEDRO COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)N2CCC(F)(C#N)CC2)cc1 ZINC000418537524 559405183 /nfs/dbraw/zinc/40/51/83/559405183.db2.gz CYZMHOWRAUWELV-DLBZAZTESA-N 1 0 360.433 2.178 20 30 FEEDRO C[C@@H](CCCC[NH3+])NC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000418696834 559411615 /nfs/dbraw/zinc/41/16/15/559411615.db2.gz MXJWIACTIFZZSQ-HNNXBMFYSA-N 1 0 371.485 2.436 20 30 FEEDRO C=CCCC[C@H](C)NC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(OC)cc1 ZINC000419153575 559430219 /nfs/dbraw/zinc/43/02/19/559430219.db2.gz OUQOJJVHAGFPQC-ZYSHUDEJSA-N 1 0 373.497 2.118 20 30 FEEDRO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1Cc1ccc(C#N)cc1Br ZINC000419346358 559438849 /nfs/dbraw/zinc/43/88/49/559438849.db2.gz VBPUCYGUXWZXPK-STQMWFEESA-N 1 0 352.276 2.208 20 30 FEEDRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1Cc1ccc(Br)cc1C#N ZINC000419347705 559438879 /nfs/dbraw/zinc/43/88/79/559438879.db2.gz XGSJUWFTDKKELB-CHWSQXEVSA-N 1 0 352.276 2.208 20 30 FEEDRO N#CC1(CNC(=O)NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)CCC1 ZINC000419482053 559444632 /nfs/dbraw/zinc/44/46/32/559444632.db2.gz SNEVIOMFQOIMIR-GOSISDBHSA-N 1 0 356.470 2.136 20 30 FEEDRO C=CCC[C@H](NC(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@H]1C)c1ccccc1 ZINC000419663875 559452571 /nfs/dbraw/zinc/45/25/71/559452571.db2.gz KYNZKGHKCZQCDO-BHYGNILZSA-N 1 0 359.470 2.039 20 30 FEEDRO C=C(C)[C@@H](NC(=O)C(=O)N1CCC[C@H](CC[NH3+])C1)c1ccc(F)c(F)c1 ZINC000419669414 559452868 /nfs/dbraw/zinc/45/28/68/559452868.db2.gz BFGACCFUZDCRIU-CXAGYDPISA-N 1 0 365.424 2.286 20 30 FEEDRO C=C(C)[C@@H](NC(=O)C(=O)NCC1(C)CC[NH2+]CC1)c1ccc(F)c(F)c1 ZINC000419681450 559453768 /nfs/dbraw/zinc/45/37/68/559453768.db2.gz RUZPXEHENXSMQX-MRXNPFEDSA-N 1 0 365.424 2.204 20 30 FEEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000419941132 559465715 /nfs/dbraw/zinc/46/57/15/559465715.db2.gz WFGCENQEHDNPKD-GFCCVEGCSA-N 1 0 355.891 2.174 20 30 FEEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000419967742 559466772 /nfs/dbraw/zinc/46/67/72/559466772.db2.gz OPEOQKCYAWENNY-LJQANCHMSA-N 1 0 373.497 2.234 20 30 FEEDRO C=CCN(CCc1ccccc1)C(=O)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000419978969 559467503 /nfs/dbraw/zinc/46/75/03/559467503.db2.gz OTBINPUGRNQSQV-IBGZPJMESA-N 1 0 357.498 2.268 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1Cl ZINC000420459403 559488641 /nfs/dbraw/zinc/48/86/41/559488641.db2.gz QZCRSHSQBQFXOI-ZIAGYGMSSA-N 1 0 353.875 2.222 20 30 FEEDRO Cc1cccc(S(=O)(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)c1C#N ZINC000420469815 559489208 /nfs/dbraw/zinc/48/92/08/559489208.db2.gz KLAPNDGFMSSGTL-DLBZAZTESA-N 1 0 359.426 2.121 20 30 FEEDRO CCc1ccc([C@H](CNC(=O)C(=O)NCC(C)(C)CC#N)[NH+](C)C)cc1 ZINC000420837128 559507149 /nfs/dbraw/zinc/50/71/49/559507149.db2.gz FITOTDAKBGIIHC-KRWDZBQOSA-N 1 0 358.486 2.024 20 30 FEEDRO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000420993749 559518254 /nfs/dbraw/zinc/51/82/54/559518254.db2.gz BAJGJCJKGLHVDT-SJORKVTESA-N 1 0 358.486 2.356 20 30 FEEDRO CCOC(=O)c1c(NC(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c(C#N)cn1CC ZINC000421164269 559527945 /nfs/dbraw/zinc/52/79/45/559527945.db2.gz KHHDXWCRFXLVTB-LSDHHAIUSA-N 1 0 373.457 2.305 20 30 FEEDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000421298116 559536914 /nfs/dbraw/zinc/53/69/14/559536914.db2.gz MLMQXJHNIBLMLG-CYBMUJFWSA-N 1 0 368.359 2.068 20 30 FEEDRO CCOC(=O)C1CCN(C(=O)C[C@@H](C)[NH2+]Cc2ccc(C#N)s2)CC1 ZINC000421347605 559539847 /nfs/dbraw/zinc/53/98/47/559539847.db2.gz CTJAMOUVRQLEHB-CYBMUJFWSA-N 1 0 363.483 2.290 20 30 FEEDRO C=CCN1C(=O)c2ccc(C(=O)NC3CCC([NH+](C)C)CC3)cc2C1=O ZINC000421684071 559549306 /nfs/dbraw/zinc/54/93/06/559549306.db2.gz HVLNBILLCXDHOU-UHFFFAOYSA-N 1 0 355.438 2.071 20 30 FEEDRO C[NH+](C)CCCOC1CCN(C(=O)NCc2ccc(C#N)s2)CC1 ZINC000422218568 559572053 /nfs/dbraw/zinc/57/20/53/559572053.db2.gz MXBXUNYLQJGNAP-UHFFFAOYSA-N 1 0 350.488 2.262 20 30 FEEDRO C[C@@H]([NH2+]C(C)(C)CNC(=O)C(=O)NCC(C)(C)CC#N)c1ccccc1 ZINC000422300520 559576775 /nfs/dbraw/zinc/57/67/75/559576775.db2.gz VHROHYPONQELIB-OAHLLOKOSA-N 1 0 358.486 2.288 20 30 FEEDRO C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CCC[N@@H+](C(C)C)CC1 ZINC000422533227 559593313 /nfs/dbraw/zinc/59/33/13/559593313.db2.gz WSZFKVNGADLLQB-IBGZPJMESA-N 1 0 357.498 2.233 20 30 FEEDRO C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N1CC[C@H](C[N@@H+](C)CC)C1 ZINC000422543888 559594130 /nfs/dbraw/zinc/59/41/30/559594130.db2.gz PSAKUQYWARZEPR-RTBURBONSA-N 1 0 357.498 2.090 20 30 FEEDRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000423564355 559632292 /nfs/dbraw/zinc/63/22/92/559632292.db2.gz SMDAYWWTZNIJPF-IBGZPJMESA-N 1 0 368.481 2.006 20 30 FEEDRO N#CCCC[C@H]([NH3+])C(=O)N1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000424100083 559654715 /nfs/dbraw/zinc/65/47/15/559654715.db2.gz HDIKLGQAADKADO-INIZCTEOSA-N 1 0 362.861 2.036 20 30 FEEDRO CCCS(=O)(=O)Nc1cccc(NC(=O)[C@@H]([NH3+])CCCC#N)c1C ZINC000424106886 559655095 /nfs/dbraw/zinc/65/50/95/559655095.db2.gz YEUMQIZTCLAGMQ-ZDUSSCGKSA-N 1 0 352.460 2.106 20 30 FEEDRO Cc1ccc(C(=O)N2CCSCC2)cc1NC(=O)[C@H]([NH3+])CCCC#N ZINC000424115753 559655291 /nfs/dbraw/zinc/65/52/91/559655291.db2.gz VTRSQCHFLYSNKH-OAHLLOKOSA-N 1 0 360.483 2.144 20 30 FEEDRO C=CCn1c([C@@H]2CC[C@H](C)O2)nnc1N1CC[NH+](C(C)(C)COC)CC1 ZINC000424142349 559655919 /nfs/dbraw/zinc/65/59/19/559655919.db2.gz PNJNOLTVQXUETJ-HOTGVXAUSA-N 1 0 363.506 2.251 20 30 FEEDRO COc1cc(N[C@H]2CCCN(C(=O)[C@@H]([NH3+])CCCC#N)C2)cc(OC)c1 ZINC000424165108 559656643 /nfs/dbraw/zinc/65/66/43/559656643.db2.gz DJQVGUYJOWANPO-KSSFIOAISA-N 1 0 360.458 2.128 20 30 FEEDRO N#CCCC[C@@H]([NH3+])C(=O)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000424178874 559656838 /nfs/dbraw/zinc/65/68/38/559656838.db2.gz XPVPWTBAZISQRW-ZIAGYGMSSA-N 1 0 369.252 2.236 20 30 FEEDRO N#CCCC[C@H]([NH3+])C(=O)N[C@H]1COc2cc(F)c(Br)cc21 ZINC000424181346 559656840 /nfs/dbraw/zinc/65/68/40/559656840.db2.gz CAASGDHHPSJSHH-RYUDHWBXSA-N 1 0 356.195 2.159 20 30 FEEDRO C=CCCn1cc(C(=O)NC[C@H]2C[NH2+]CC[C@H]2c2ccc(F)cc2)nn1 ZINC000424182232 559656853 /nfs/dbraw/zinc/65/68/53/559656853.db2.gz ZDQAQONDWZEPRS-WBVHZDCISA-N 1 0 357.433 2.116 20 30 FEEDRO C=CCSc1ccccc1NC(=O)CN1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424284681 559660677 /nfs/dbraw/zinc/66/06/77/559660677.db2.gz DOJIFOASKNUMBN-JKSUJKDBSA-N 1 0 371.510 2.063 20 30 FEEDRO C=CCC1(C(=O)N2CC[C@H](OCC[NH+]3CCCCC3)C2)CCOCC1 ZINC000424713135 559674351 /nfs/dbraw/zinc/67/43/51/559674351.db2.gz BLUPFLBMTOJWOW-SFHVURJKSA-N 1 0 350.503 2.463 20 30 FEEDRO C=CCC1(C(=O)N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)CCOCC1 ZINC000424772524 559676225 /nfs/dbraw/zinc/67/62/25/559676225.db2.gz FATPXOMUFIFNNY-UHFFFAOYSA-N 1 0 363.546 2.235 20 30 FEEDRO C[C@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000425385084 559699262 /nfs/dbraw/zinc/69/92/62/559699262.db2.gz NCYSGGKHOUVUKL-MRXNPFEDSA-N 1 0 368.481 2.164 20 30 FEEDRO C=CCn1cc(CNC(=O)NCc2ccccc2C[N@@H+](C)C(C)C)nn1 ZINC000425423779 559701678 /nfs/dbraw/zinc/70/16/78/559701678.db2.gz OQECZIUCZSKHCO-UHFFFAOYSA-N 1 0 356.474 2.304 20 30 FEEDRO C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H](n3ccnn3)C2)c(OC)c1 ZINC000425497088 559705528 /nfs/dbraw/zinc/70/55/28/559705528.db2.gz BYFLOAASGLAQAZ-MSOLQXFVSA-N 1 0 372.469 2.092 20 30 FEEDRO N#Cc1cccc(NC(=O)CC[NH2+][C@H](C2CCOCC2)C2(CO)CCC2)c1 ZINC000425539655 559708637 /nfs/dbraw/zinc/70/86/37/559708637.db2.gz KSIWVZGDMAVDBA-HXUWFJFHSA-N 1 0 371.481 2.434 20 30 FEEDRO C[C@H](c1cccc(C#N)c1)[N@H+](C)C[C@@H](O)CN1C(=O)c2ccccc2C1=O ZINC000425541325 559708762 /nfs/dbraw/zinc/70/87/62/559708762.db2.gz WPCFLWNXUCLTQZ-RHSMWYFYSA-N 1 0 363.417 2.208 20 30 FEEDRO C=CCn1cc(CNC(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)nn1 ZINC000425566657 559709986 /nfs/dbraw/zinc/70/99/86/559709986.db2.gz QPNDXHUDSHQFBU-SFHVURJKSA-N 1 0 368.485 2.128 20 30 FEEDRO C=CCn1cc(CNC(=O)N[C@H](C)[C@@H](c2ccccc2C)[NH+](C)C)nn1 ZINC000425785000 559719437 /nfs/dbraw/zinc/71/94/37/559719437.db2.gz KWGAXCNHAXATEN-QAPCUYQASA-N 1 0 356.474 2.263 20 30 FEEDRO C[N@@H+]1C[C@@H]2CCCN(C(=O)C(=O)Nc3ccccc3SCCC#N)[C@@H]2C1 ZINC000425817386 559721141 /nfs/dbraw/zinc/72/11/41/559721141.db2.gz HHRIWIWIKGUTOB-GOEBONIOSA-N 1 0 372.494 2.183 20 30 FEEDRO C=CCn1cc(CNC(=O)N(CC[NH+](C)C)Cc2cccc(C)c2)nn1 ZINC000425868141 559723477 /nfs/dbraw/zinc/72/34/77/559723477.db2.gz DDVXIHFGYQOYQX-UHFFFAOYSA-N 1 0 356.474 2.046 20 30 FEEDRO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000425876859 559723627 /nfs/dbraw/zinc/72/36/27/559723627.db2.gz GKXXGUVTVFJBCQ-LYGPFTKASA-N 1 0 370.497 2.314 20 30 FEEDRO C[C@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000425876861 559723637 /nfs/dbraw/zinc/72/36/37/559723637.db2.gz GKXXGUVTVFJBCQ-MDCZIUGASA-N 1 0 370.497 2.314 20 30 FEEDRO C=CCn1cc(CNC(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)nn1 ZINC000425875015 559723689 /nfs/dbraw/zinc/72/36/89/559723689.db2.gz LYJZACBZXGROEN-UHFFFAOYSA-N 1 0 368.485 2.270 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC(=O)N[C@H]2CCCC[C@H]21)C(C)C ZINC000426026668 559727945 /nfs/dbraw/zinc/72/79/45/559727945.db2.gz BPTQTLKFYURONX-RCCFBDPRSA-N 1 0 362.518 2.138 20 30 FEEDRO N#Cc1cc(N2CC[NH+](C[C@H]3CCOC3)CC2)nc2ccc([N+](=O)[O-])cc12 ZINC000426899251 559743942 /nfs/dbraw/zinc/74/39/42/559743942.db2.gz ZMJCLAXVHQWVPD-CQSZACIVSA-N 1 0 367.409 2.173 20 30 FEEDRO Cc1ncc(S(=O)(=O)N2c3ccccc3CC[C@@H]2C[NH+](C)C)cc1C#N ZINC000427781227 559762265 /nfs/dbraw/zinc/76/22/65/559762265.db2.gz IEHWJDPDYPXAGX-QGZVFWFLSA-N 1 0 370.478 2.333 20 30 FEEDRO Cc1ccc(OC[C@H](O)C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)c(C)c1 ZINC000428771057 559782833 /nfs/dbraw/zinc/78/28/33/559782833.db2.gz HGDJZWAMWBYFQJ-RTBURBONSA-N 1 0 367.449 2.463 20 30 FEEDRO C[C@@H](c1ccccc1)[C@@H]([NH2+]CCC(=O)Nc1sccc1C#N)C(N)=O ZINC000428856932 559785046 /nfs/dbraw/zinc/78/50/46/559785046.db2.gz PMFCVEKOWICIRL-BLLLJJGKSA-N 1 0 356.451 2.196 20 30 FEEDRO C[C@H](CNS(=O)(=O)c1ccc(C#N)c(Br)c1)[N@H+](C)C1CC1 ZINC000433091379 559871476 /nfs/dbraw/zinc/87/14/76/559871476.db2.gz KXMCHKSRTLOSEH-SNVBAGLBSA-N 1 0 372.288 2.082 20 30 FEEDRO COCC[N@H+](C[C@@H](O)COc1ccc(C#N)cc1)[C@H]1CCCSC1 ZINC000433193387 559873271 /nfs/dbraw/zinc/87/32/71/559873271.db2.gz QCOYCDGUIQMXPC-DLBZAZTESA-N 1 0 350.484 2.142 20 30 FEEDRO C[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(C#N)c(Br)c2)CC[N@@H+]1C ZINC000433869691 559889165 /nfs/dbraw/zinc/88/91/65/559889165.db2.gz NCQMVPNHEUDZBO-PWSUYJOCSA-N 1 0 372.288 2.082 20 30 FEEDRO C=CC1CCN(C(=O)C(=O)Nc2cccc3c2OCC[C@@H]3[NH+](C)C)CC1 ZINC000434588371 559903010 /nfs/dbraw/zinc/90/30/10/559903010.db2.gz UFMNWRXITUHUBY-KRWDZBQOSA-N 1 0 357.454 2.435 20 30 FEEDRO C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000435742419 559929271 /nfs/dbraw/zinc/92/92/71/559929271.db2.gz UYGLVWQXSDOFAV-KBXCAEBGSA-N 1 0 364.398 2.217 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)Nc1cc(C[NH+](C)C)ccc1C ZINC000437041301 559959747 /nfs/dbraw/zinc/95/97/47/559959747.db2.gz LLOKWMUCZFEISD-AEFFLSMTSA-N 1 0 359.470 2.093 20 30 FEEDRO C=CCN1C(=O)c2ccc(C(=O)N3CC[C@H]([NH+](CC)CC)C3)cc2C1=O ZINC000437191180 559961687 /nfs/dbraw/zinc/96/16/87/559961687.db2.gz SPVIGDGIHRMMFB-HNNXBMFYSA-N 1 0 355.438 2.025 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000437547598 559965868 /nfs/dbraw/zinc/96/58/68/559965868.db2.gz NEVMAQNSSCVCQO-YSHGAJCASA-N 1 0 365.518 2.035 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NC[C@H](C(CC)CC)[NH+]1CCOCC1 ZINC000437626279 559966917 /nfs/dbraw/zinc/96/69/17/559966917.db2.gz IIGIBKNPQZMBHC-OTWHNJEPSA-N 1 0 367.534 2.404 20 30 FEEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CC[N@H+](C)CC[C@@H]1C ZINC000439361557 559992755 /nfs/dbraw/zinc/99/27/55/559992755.db2.gz RVWONKDABQQCSY-GJZGRUSLSA-N 1 0 374.510 2.429 20 30 FEEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CC[N@H+](C)CC[C@H]1C ZINC000439361559 559992774 /nfs/dbraw/zinc/99/27/74/559992774.db2.gz RVWONKDABQQCSY-LSDHHAIUSA-N 1 0 374.510 2.429 20 30 FEEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CC[N@H+](C)CC[C@@H]1C ZINC000439361556 559992900 /nfs/dbraw/zinc/99/29/00/559992900.db2.gz RVWONKDABQQCSY-CABCVRRESA-N 1 0 374.510 2.429 20 30 FEEDRO CC[NH+]1CCN([C@H]2CCN(Cc3ccc(C#N)cc3OC(F)F)C2)CC1 ZINC000439532150 559996495 /nfs/dbraw/zinc/99/64/95/559996495.db2.gz SCYGRFWLVUBVLW-KRWDZBQOSA-N 1 0 364.440 2.371 20 30 FEEDRO CO[C@H]1C[C@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)C1(C)C ZINC000440342490 560009105 /nfs/dbraw/zinc/00/91/05/560009105.db2.gz RLKVVFUWHMEFSZ-ROUUACIJSA-N 1 0 358.486 2.445 20 30 FEEDRO N#Cc1ccc(C[NH2+]CCNS(=O)(=O)c2ccc(Cl)cc2F)s1 ZINC000441387069 560030880 /nfs/dbraw/zinc/03/08/80/560030880.db2.gz QHNLZYLZEZSZJK-UHFFFAOYSA-N 1 0 373.862 2.480 20 30 FEEDRO CCC[C@@H]1CN(C(=O)NCC2CCC(C#N)CC2)CC[N@@H+]1CCOC ZINC000442725521 560055277 /nfs/dbraw/zinc/05/52/77/560055277.db2.gz YYVYABZCHQYUEZ-DAWZGUTISA-N 1 0 350.507 2.459 20 30 FEEDRO CC[NH+](CC)CC1CCN(S(=O)(=O)c2ccc(F)cc2C#N)CC1 ZINC000443233254 560075507 /nfs/dbraw/zinc/07/55/07/560075507.db2.gz IJULVVVMYNHUQN-UHFFFAOYSA-N 1 0 353.463 2.440 20 30 FEEDRO CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 ZINC000448601768 560192187 /nfs/dbraw/zinc/19/21/87/560192187.db2.gz XESFSEONGHBVGX-HOCLYGCPSA-N 1 0 374.872 2.165 20 30 FEEDRO N#Cc1ccc(N2C[C@H](C(=O)NCC[NH+]3CCCCC3)CC2=O)cc1Cl ZINC000448706076 560195368 /nfs/dbraw/zinc/19/53/68/560195368.db2.gz WTZDQWKORYOGRG-OAHLLOKOSA-N 1 0 374.872 2.167 20 30 FEEDRO COc1cc(CNC(=O)c2cc(C#N)[nH]c2C)ccc1OCC[NH+](C)C ZINC000448851283 560202904 /nfs/dbraw/zinc/20/29/04/560202904.db2.gz CATGNQOULGFQLM-UHFFFAOYSA-N 1 0 356.426 2.074 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1cn(-c2cccnc2)nn1)C(C)C ZINC000449800417 560240376 /nfs/dbraw/zinc/24/03/76/560240376.db2.gz CUMWXQIPZKRRKS-SFHVURJKSA-N 1 0 354.458 2.091 20 30 FEEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc2n(n1)CCCC2 ZINC000449813894 560241004 /nfs/dbraw/zinc/24/10/04/560241004.db2.gz ZMBFBEJFUSAKRF-UHFFFAOYSA-N 1 0 351.454 2.295 20 30 FEEDRO C[C@H]1CN(C(=O)COc2ccc(C#N)c(Br)c2)C[C@H]1[NH+](C)C ZINC000449985670 560247122 /nfs/dbraw/zinc/24/71/22/560247122.db2.gz MPJULFATWHRTJJ-XHDPSFHLSA-N 1 0 366.259 2.108 20 30 FEEDRO N#Cc1ccnc(NCCC[NH+]2CCN(c3cccc(Cl)c3)CC2)n1 ZINC000450324808 560258646 /nfs/dbraw/zinc/25/86/46/560258646.db2.gz RDLXKUUCUAFPPW-UHFFFAOYSA-N 1 0 356.861 2.626 20 30 FEEDRO CC[NH+](CC)CCOC1CCN(c2nc3c(cc2C#N)COCC3)CC1 ZINC000450362266 560259901 /nfs/dbraw/zinc/25/99/01/560259901.db2.gz HFGNEQKYHURETA-UHFFFAOYSA-N 1 0 358.486 2.353 20 30 FEEDRO CC(C)[N@@H+]1C[C@H](C)[C@H](NS(=O)(=O)c2ccc(CC#N)cc2Cl)C1 ZINC000451275900 560297581 /nfs/dbraw/zinc/29/75/81/560297581.db2.gz YQWNRADHMRLOLE-SWLSCSKDSA-N 1 0 355.891 2.413 20 30 FEEDRO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1C[C@H](O)C[C@@H]1[C@@H]1CCCOC1 ZINC000451301508 560299063 /nfs/dbraw/zinc/29/90/63/560299063.db2.gz NOMHEESBUBHNOB-UAFMIMERSA-N 1 0 361.482 2.017 20 30 FEEDRO CC(=O)N1CCC[N@H+](C[C@H]2CCCN(Cc3cccc(F)c3C#N)C2)CC1 ZINC000451529954 560312364 /nfs/dbraw/zinc/31/23/64/560312364.db2.gz OGEKYJMVIHMPKL-GOSISDBHSA-N 1 0 372.488 2.464 20 30 FEEDRO CC(=O)N1CCC[N@H+](C[C@H]2CCCN(Cc3cc(F)ccc3C#N)C2)CC1 ZINC000451534175 560312957 /nfs/dbraw/zinc/31/29/57/560312957.db2.gz MVZGNLYKVAKLSV-GOSISDBHSA-N 1 0 372.488 2.464 20 30 FEEDRO CC[N@@H+]1CCN(C(=O)COc2cccc(Br)c2C#N)[C@H](C)C1 ZINC000451675419 560321393 /nfs/dbraw/zinc/32/13/93/560321393.db2.gz AAYWEMJBFCUNLR-GFCCVEGCSA-N 1 0 366.259 2.252 20 30 FEEDRO C[N@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)[C@@H](CO)CC(C)(C)C ZINC000451792917 560328675 /nfs/dbraw/zinc/32/86/75/560328675.db2.gz UQVSIKFSUOATPR-QGZVFWFLSA-N 1 0 369.469 2.411 20 30 FEEDRO C=CCn1c(-c2nnn(C)c2C)nnc1N(C)CC[NH+](C(C)C)C(C)C ZINC000453422308 560386219 /nfs/dbraw/zinc/38/62/19/560386219.db2.gz KGZDOXXVZCUZFK-UHFFFAOYSA-N 1 0 360.510 2.123 20 30 FEEDRO CC[NH+](CC)[C@H](CNC(=O)C(=O)Nc1ccc(C#N)c(C)n1)CC(C)C ZINC000453561938 560388754 /nfs/dbraw/zinc/38/87/54/560388754.db2.gz ALHIZYWQHSKWCC-INIZCTEOSA-N 1 0 359.474 2.073 20 30 FEEDRO CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)C1 ZINC000453599161 560390460 /nfs/dbraw/zinc/39/04/60/560390460.db2.gz BXFPXHDUTHNRBQ-INIZCTEOSA-N 1 0 372.469 2.275 20 30 FEEDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(=O)Nc2cccc(CC#N)c2)C1 ZINC000453600241 560390624 /nfs/dbraw/zinc/39/06/24/560390624.db2.gz OGOIKPKDFVZWRX-IYBDPMFKSA-N 1 0 356.470 2.175 20 30 FEEDRO Cc1cc(C#N)cc(NC(=O)C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)c1 ZINC000453610659 560390983 /nfs/dbraw/zinc/39/09/83/560390983.db2.gz KDXKBELNRVPRTL-IBGZPJMESA-N 1 0 364.449 2.094 20 30 FEEDRO Cc1cc(C#N)cc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)c1 ZINC000453688835 560396866 /nfs/dbraw/zinc/39/68/66/560396866.db2.gz HNUQASLQIFZWGD-RTBURBONSA-N 1 0 362.433 2.367 20 30 FEEDRO C[NH+](C)[C@H]1CCc2cc(NC(=O)C(=O)N3CCC(C)(C#N)CC3)ccc21 ZINC000453692657 560397265 /nfs/dbraw/zinc/39/72/65/560397265.db2.gz DGLOIDCASUGFJZ-KRWDZBQOSA-N 1 0 354.454 2.326 20 30 FEEDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)Nc1ccc(CC#N)cc1Cl ZINC000453713517 560398990 /nfs/dbraw/zinc/39/89/90/560398990.db2.gz INVAYAPUVQZKEK-LRDDRELGSA-N 1 0 362.861 2.143 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1NC(=O)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000453962631 560417097 /nfs/dbraw/zinc/41/70/97/560417097.db2.gz WQUKFKXIYJNZNM-KURKYZTESA-N 1 0 357.454 2.024 20 30 FEEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C(C)C)C1 ZINC000454116812 560430636 /nfs/dbraw/zinc/43/06/36/560430636.db2.gz XUAPVABQJOSESC-INIZCTEOSA-N 1 0 372.469 2.225 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1NC(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000454310812 560439060 /nfs/dbraw/zinc/43/90/60/560439060.db2.gz BSOXPAOJGODQTM-UXHICEINSA-N 1 0 372.513 2.232 20 30 FEEDRO CC[C@H]1CN(C(=O)C(C)(C)Cc2ccc(C#N)cc2)CC[N@@H+]1C[C@H](C)O ZINC000455777470 560494543 /nfs/dbraw/zinc/49/45/43/560494543.db2.gz CVLRYUJROBMZRP-LPHOPBHVSA-N 1 0 357.498 2.431 20 30 FEEDRO C=CCN1C(=O)c2ccc(C(=O)N3CC[N@@H+](CC)C[C@@H]3CC)cc2C1=O ZINC000456346725 560516394 /nfs/dbraw/zinc/51/63/94/560516394.db2.gz JDMNGKHDDDQMRT-HNNXBMFYSA-N 1 0 355.438 2.025 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N2C[C@H](C(=O)OC)[C@H](c3ccccc3)C2)CC1 ZINC000458330406 560615131 /nfs/dbraw/zinc/61/51/31/560615131.db2.gz GOLFHVBUIJGQBK-OALUTQOASA-N 1 0 371.481 2.235 20 30 FEEDRO CN(CC(C)(C)C#N)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000458704393 560642036 /nfs/dbraw/zinc/64/20/36/560642036.db2.gz AKXFHWOPSJMPDG-GOSISDBHSA-N 1 0 358.486 2.469 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1NC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000459038708 560663067 /nfs/dbraw/zinc/66/30/67/560663067.db2.gz WKTHGXJDNXGDMP-WCIQWLHISA-N 1 0 355.482 2.493 20 30 FEEDRO COCCN(Cc1ccc(C#N)cc1)C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000459274089 560677076 /nfs/dbraw/zinc/67/70/76/560677076.db2.gz ZHGXCKOSVUPROO-SFHVURJKSA-N 1 0 358.486 2.448 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000459870865 560715263 /nfs/dbraw/zinc/71/52/63/560715263.db2.gz RKIZBFQPELBEFQ-WBVHZDCISA-N 1 0 361.511 2.205 20 30 FEEDRO CC[C@@H]1CCCN(C(=O)C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)C1 ZINC000459931526 560720947 /nfs/dbraw/zinc/72/09/47/560720947.db2.gz XFGUGPDIWCBSDN-QGZVFWFLSA-N 1 0 370.497 2.097 20 30 FEEDRO C=CCN(Cc1ccccc1)C(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000459993105 560727148 /nfs/dbraw/zinc/72/71/48/560727148.db2.gz UFXQPGQAXNSUKB-LJQANCHMSA-N 1 0 355.482 2.288 20 30 FEEDRO C=CCCN(C)C(=O)C(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1 ZINC000460049374 560731449 /nfs/dbraw/zinc/73/14/49/560731449.db2.gz AFZIOGXHEJONSK-UHFFFAOYSA-N 1 0 351.878 2.265 20 30 FEEDRO C=C(C)Cn1c(CC2CC2)nnc1N1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000460573211 560746447 /nfs/dbraw/zinc/74/64/47/560746447.db2.gz KRUPHCBVWYVHHT-SFHVURJKSA-N 1 0 358.534 2.023 20 30 FEEDRO N#Cc1ccc([C@H]([NH2+]C[C@H]2CCN(c3ccccc3F)C2)C(N)=O)cc1 ZINC000461061318 560760552 /nfs/dbraw/zinc/76/05/52/560760552.db2.gz GEGYABJRROEWPH-BEFAXECRSA-N 1 0 352.413 2.340 20 30 FEEDRO COc1cc(C[N@@H+]2C[C@H](O)C[C@H]2CO)ccc1OCc1cccc(C#N)c1 ZINC000462339190 560806664 /nfs/dbraw/zinc/80/66/64/560806664.db2.gz XXYOPTPNOQGARX-RBUKOAKNSA-N 1 0 368.433 2.073 20 30 FEEDRO C[C@H](C(=O)NCc1ccncc1OCC[NH+](C)C)c1cccc(C#N)c1 ZINC000462444338 560810259 /nfs/dbraw/zinc/81/02/59/560810259.db2.gz KASVDNGXSVZFMS-HNNXBMFYSA-N 1 0 352.438 2.314 20 30 FEEDRO N#Cc1ccc(NC(=O)CCN2CCN(c3cccc(F)c3)C(=O)C2)cc1 ZINC000462468377 560811285 /nfs/dbraw/zinc/81/12/85/560811285.db2.gz ZUYQDEPUXCCJBP-UHFFFAOYSA-N 1 0 366.396 2.375 20 30 FEEDRO CC[NH+](CC)CCN(CCC(F)(F)F)S(=O)(=O)CC1(C#N)CC1 ZINC000463871047 560827473 /nfs/dbraw/zinc/82/74/73/560827473.db2.gz PGSDEPLEYTYZQX-UHFFFAOYSA-N 1 0 355.426 2.216 20 30 FEEDRO CC[NH+](CC)CC1CCN(S(=O)(=O)c2ccc(C#N)cc2OC)CC1 ZINC000464417331 560841128 /nfs/dbraw/zinc/84/11/28/560841128.db2.gz BXEOUHQYSSVTCE-UHFFFAOYSA-N 1 0 365.499 2.309 20 30 FEEDRO CCC[C@@H]1CN(C(=O)NCCc2cccc(C#N)c2)CC[N@@H+]1CCOC ZINC000466809198 560896339 /nfs/dbraw/zinc/89/63/39/560896339.db2.gz MDRQWTRINHSERP-LJQANCHMSA-N 1 0 358.486 2.243 20 30 FEEDRO COC(=O)COc1ccc([C@@H](C)[NH2+]CC(=O)Nc2ccc(C#N)cc2)cc1 ZINC000467181776 560905798 /nfs/dbraw/zinc/90/57/98/560905798.db2.gz QDJAQWRIKYCWPC-CQSZACIVSA-N 1 0 367.405 2.399 20 30 FEEDRO COC(=O)[C@H]1CCN(CC(=O)N(CCC#N)c2cccc(C)c2C)[C@H]1C ZINC000469855082 560966575 /nfs/dbraw/zinc/96/65/75/560966575.db2.gz UFMRUCVCHWWPRP-IRXDYDNUSA-N 1 0 357.454 2.434 20 30 FEEDRO COC(=O)[C@@H]1CC[N@H+]([C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)[C@@H]1C ZINC000469998122 560971310 /nfs/dbraw/zinc/97/13/10/560971310.db2.gz BSDUPSJCILYUHS-CKEIUWERSA-N 1 0 361.417 2.344 20 30 FEEDRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)C1 ZINC000472253312 561021909 /nfs/dbraw/zinc/02/19/09/561021909.db2.gz ATPBWARJPMOWHO-WOJBJXKFSA-N 1 0 350.466 2.431 20 30 FEEDRO CC[NH+](CC)CCO[C@@H]1CCN([C@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000472284161 561023130 /nfs/dbraw/zinc/02/31/30/561023130.db2.gz KSFVPMXVDJSMIK-QZTJIDSGSA-N 1 0 364.534 2.150 20 30 FEEDRO Cn1ncc(C(=O)N[C@@H](C[N@@H+]2CCc3ccccc3C2)C(C)(C)C)c1C#N ZINC000474959542 561086311 /nfs/dbraw/zinc/08/63/11/561086311.db2.gz HJNCKARHPDHPTC-IBGZPJMESA-N 1 0 365.481 2.495 20 30 FEEDRO N#Cc1ccc(OC[C@H](O)C[N@H+]2CCC[C@]2(CO)Cc2ccccc2)cc1 ZINC000475679215 561101995 /nfs/dbraw/zinc/10/19/95/561101995.db2.gz LEVLMZFUAWOFPR-IFMALSPDSA-N 1 0 366.461 2.368 20 30 FEEDRO C[C@@H](O)C[N@@H+]1CCN(C(=O)c2cn(CCCC#N)c3ccccc23)[C@H](C)C1 ZINC000476850717 561130136 /nfs/dbraw/zinc/13/01/36/561130136.db2.gz KBTQVJBMMZHIRC-IAGOWNOFSA-N 1 0 368.481 2.472 20 30 FEEDRO COc1cccc([C@@H]2CN(C[C@@H](O)COc3ccccc3C#N)CCO2)c1 ZINC000528405530 562327116 /nfs/dbraw/zinc/32/71/16/562327116.db2.gz LOCAOHHDBTWDQJ-NQIIRXRSSA-N 1 0 368.433 2.380 20 30 FEEDRO CCC(C#N)(CC)C(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000528478154 562331312 /nfs/dbraw/zinc/33/13/12/562331312.db2.gz PJCWRGCMPBUCTC-SFHVURJKSA-N 1 0 370.497 2.330 20 30 FEEDRO N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H](Oc2ncccc2F)C1 ZINC000528480959 562331581 /nfs/dbraw/zinc/33/15/81/562331581.db2.gz NBFOMHMTORLUHD-SJORKVTESA-N 1 0 371.412 2.375 20 30 FEEDRO Cn1nccc1C1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@H](O)COc1ccccc1C#N ZINC000528489139 562331997 /nfs/dbraw/zinc/33/19/97/562331997.db2.gz HJRSBBOMGOAIAB-IPQPSQTFSA-N 1 0 366.465 2.442 20 30 FEEDRO N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCCN2c3ccccc3C[C@H]2C1 ZINC000528504226 562332917 /nfs/dbraw/zinc/33/29/17/562332917.db2.gz NCUILZPTGQOMJW-PMACEKPBSA-N 1 0 363.461 2.435 20 30 FEEDRO O=C1c2ccccc2C(=O)N1CC#CC[N@@H+]1CCOC[C@H](C2CCC2)C1 ZINC000528510634 562333248 /nfs/dbraw/zinc/33/32/48/562333248.db2.gz BSYIRTPKDPJDOG-QGZVFWFLSA-N 1 0 352.434 2.035 20 30 FEEDRO N#Cc1ccccc1OC[C@@H](O)C[N@H+]1CC[C@](CO)(c2cccc(F)c2)C1 ZINC000528546030 562335324 /nfs/dbraw/zinc/33/53/24/562335324.db2.gz REMJBQNHCBMTGY-FPOVZHCZSA-N 1 0 370.424 2.073 20 30 FEEDRO COc1ccc([C@H]([NH2+]CCS(=O)(=O)c2cccc(C#N)c2)C2CC2)cn1 ZINC000528848242 562350410 /nfs/dbraw/zinc/35/04/10/562350410.db2.gz ALACLSSIKYSCSI-LJQANCHMSA-N 1 0 371.462 2.476 20 30 FEEDRO N#Cc1ccc(CC(=O)Nc2ccc(C[NH+]3CCC(O)CC3)cc2)cn1 ZINC000528922643 562353069 /nfs/dbraw/zinc/35/30/69/562353069.db2.gz AMRNXCVZFZZGBY-UHFFFAOYSA-N 1 0 350.422 2.091 20 30 FEEDRO COCc1ccc(NC(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)cc1C#N ZINC000529213336 562365094 /nfs/dbraw/zinc/36/50/94/562365094.db2.gz QBPFEHKBRQTQBE-AWEZNQCLSA-N 1 0 360.458 2.014 20 30 FEEDRO COCc1ccc(NC(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)cc1C#N ZINC000529218755 562365342 /nfs/dbraw/zinc/36/53/42/562365342.db2.gz XSOQZYGJOFHXJR-OAHLLOKOSA-N 1 0 372.469 2.327 20 30 FEEDRO COc1cccc(N2CC[C@@H]([NH2+]C[C@H](O)COc3ccccc3C#N)C2)c1 ZINC000530231300 562403065 /nfs/dbraw/zinc/40/30/65/562403065.db2.gz OBAJDAQTMHMCJT-MJGOQNOKSA-N 1 0 367.449 2.175 20 30 FEEDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)N2CCN(c3ccccc3C#N)CC2)C1 ZINC000531007325 562431636 /nfs/dbraw/zinc/43/16/36/562431636.db2.gz IASAVVGIAMERJT-KRWDZBQOSA-N 1 0 355.486 2.120 20 30 FEEDRO C[NH+]1CCN(Cc2ccc(CNC(=O)Cc3cccc(C#N)c3)cc2)CC1 ZINC000531384810 562444242 /nfs/dbraw/zinc/44/42/42/562444242.db2.gz GPNIXMOHHGAQAX-UHFFFAOYSA-N 1 0 362.477 2.165 20 30 FEEDRO CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)C2(C#N)CC(C)C2)CC1 ZINC000532323504 562474096 /nfs/dbraw/zinc/47/40/96/562474096.db2.gz BRDQLWKDCPLXHL-UHFFFAOYSA-N 1 0 362.518 2.013 20 30 FEEDRO C[NH+]1CCC(C#N)(NC(=O)Cc2ccc(Br)c(F)c2)CC1 ZINC000532776946 562488396 /nfs/dbraw/zinc/48/83/96/562488396.db2.gz YNSGMHMITKPNHN-UHFFFAOYSA-N 1 0 354.223 2.235 20 30 FEEDRO C[C@@H]([NH2+]Cc1cnn([C@]2(C)CCS(=O)(=O)C2)c1)c1ccc(C#N)cc1 ZINC000532870224 562491112 /nfs/dbraw/zinc/49/11/12/562491112.db2.gz XYIWRWNEVOLYSC-RDTXWAMCSA-N 1 0 358.467 2.139 20 30 FEEDRO N#Cc1cccc(CC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)c1 ZINC000536432773 562575402 /nfs/dbraw/zinc/57/54/02/562575402.db2.gz VFGFLAUAZDDEJX-RTWAWAEBSA-N 1 0 363.461 2.100 20 30 FEEDRO N#Cc1ccc([C@@H]([NH2+][C@H]2CCCN(c3ccccc3F)C2)C(N)=O)cc1 ZINC000536466944 562576193 /nfs/dbraw/zinc/57/61/93/562576193.db2.gz IAIXLKIJUNNIBR-QFBILLFUSA-N 1 0 352.413 2.482 20 30 FEEDRO C=CCOCCCC(=O)N1CCC(OCCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000536922784 562582676 /nfs/dbraw/zinc/58/26/76/562582676.db2.gz SZZUIIILYHNSLK-HDICACEKSA-N 1 0 368.518 2.086 20 30 FEEDRO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)[C@@H](C)n1cnc(C#N)n1 ZINC000541213967 562606117 /nfs/dbraw/zinc/60/61/17/562606117.db2.gz XGPWTRSNSXXWDO-MRXNPFEDSA-N 1 0 354.458 2.081 20 30 FEEDRO CCS(=O)(=O)N1CCC(C[NH2+][C@H](C)c2ccc(C#N)c(F)c2)CC1 ZINC000541767678 562619537 /nfs/dbraw/zinc/61/95/37/562619537.db2.gz IGVUTYNJDLEGMR-CYBMUJFWSA-N 1 0 353.463 2.410 20 30 FEEDRO COc1cc(C#N)ccc1NC(=O)C(=O)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000546001783 562632422 /nfs/dbraw/zinc/63/24/22/562632422.db2.gz IZFMNIDRLGAUHZ-UHFFFAOYSA-N 1 0 372.469 2.086 20 30 FEEDRO CC(C)NC(=O)Nc1ccc(C[NH2+]Cc2cnc3c(C#N)cnn3c2)cc1 ZINC000549723749 562638403 /nfs/dbraw/zinc/63/84/03/562638403.db2.gz CWSVVXKGPNOPHD-UHFFFAOYSA-N 1 0 363.425 2.421 20 30 FEEDRO N#Cc1cnn2cc(C[NH2+]Cc3cccc(CN4CCCC4=O)c3)cnc12 ZINC000549763174 562639179 /nfs/dbraw/zinc/63/91/79/562639179.db2.gz GZKJMCAZGODCNS-UHFFFAOYSA-N 1 0 360.421 2.013 20 30 FEEDRO C[C@H](NC(=O)C(=O)NCc1ccc(C[NH+](C)C)cc1)c1ccc(C#N)cc1 ZINC000550121160 562642963 /nfs/dbraw/zinc/64/29/63/562642963.db2.gz WXDUDJWAIIRMNE-HNNXBMFYSA-N 1 0 364.449 2.113 20 30 FEEDRO N#CCc1ccc(OC[C@H](O)C[NH2+]Cc2cccc3c2CCOC3)cc1 ZINC000601969655 567890209 /nfs/dbraw/zinc/89/02/09/567890209.db2.gz RPMYRQVPNYANNB-LJQANCHMSA-N 1 0 352.434 2.355 20 30 FEEDRO N#CC1(NC(=O)c2cc(F)c[nH]c2=O)CC[NH+](Cc2ccccc2)CC1 ZINC000602142482 567935709 /nfs/dbraw/zinc/93/57/09/567935709.db2.gz KHKRGQQQTDVJFL-UHFFFAOYSA-N 1 0 354.385 2.214 20 30 FEEDRO N#CCCN1CCN(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)CC1 ZINC000602223314 567957073 /nfs/dbraw/zinc/95/70/73/567957073.db2.gz OFVPFQKZTHLUIJ-LJQANCHMSA-N 1 0 355.486 2.064 20 30 FEEDRO N#CCCN1CCN(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000602227731 567957472 /nfs/dbraw/zinc/95/74/72/567957472.db2.gz GGZHURBHEPIJSZ-UHFFFAOYSA-N 1 0 369.513 2.413 20 30 FEEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]Cc1cccc(OCC(=O)N(C)C)c1 ZINC000602519435 567986983 /nfs/dbraw/zinc/98/69/83/567986983.db2.gz FIQJBYVURFGTHL-INIZCTEOSA-N 1 0 359.470 2.342 20 30 FEEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccc(NS(C)(=O)=O)cc1 ZINC000602512471 567989321 /nfs/dbraw/zinc/98/93/21/567989321.db2.gz BKZPEZUJECEQSZ-AWEZNQCLSA-N 1 0 351.472 2.247 20 30 FEEDRO C[C@@H]1C[NH+](CC2(O)CCC(C(=O)OC(C)(C)C)CC2)C[C@@H](C)N1CC#N ZINC000602848992 568000824 /nfs/dbraw/zinc/00/08/24/568000824.db2.gz JBIRZBFGOTWYBE-VPRUJKLYSA-N 1 0 365.518 2.168 20 30 FEEDRO CCN(CCC#N)C(=O)C[NH+]1CCC(c2cc(-c3ccncc3)n[nH]2)CC1 ZINC000602879108 568003746 /nfs/dbraw/zinc/00/37/46/568003746.db2.gz YOEFYYNPMBNHEG-UHFFFAOYSA-N 1 0 366.469 2.413 20 30 FEEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]CCCN1C(=O)c2ccccc2C1=O ZINC000602652277 568005382 /nfs/dbraw/zinc/00/53/82/568005382.db2.gz BZMWUOUJBPFDIL-HNNXBMFYSA-N 1 0 355.438 2.361 20 30 FEEDRO N#CCCN(C(=O)CN1C[C@@H](O)[C@H](Oc2ccccc2)C1)c1ccccc1 ZINC000602923339 568017847 /nfs/dbraw/zinc/01/78/47/568017847.db2.gz HRLGATCERDKWAA-WOJBJXKFSA-N 1 0 365.433 2.057 20 30 FEEDRO COC(=O)[C@@]1(C)C[N@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C[C@@H]1C ZINC000602729478 568024773 /nfs/dbraw/zinc/02/47/73/568024773.db2.gz QCRTZZWGNBDTJC-YWZLYKJASA-N 1 0 367.453 2.490 20 30 FEEDRO Cc1nnc(CNC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)s1 ZINC000541866103 568044025 /nfs/dbraw/zinc/04/40/25/568044025.db2.gz MYQUJDOXUYNDKS-UHFFFAOYSA-N 1 0 370.482 2.136 20 30 FEEDRO C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000568525417 568047037 /nfs/dbraw/zinc/04/70/37/568047037.db2.gz QBGXJOCHQHJJSS-FNHZYXHNSA-N 1 0 357.454 2.070 20 30 FEEDRO C[NH2+][C@@H](C)c1cn([C@@H](C)C(=O)N(CCC#N)c2ccccc2OC)nn1 ZINC000603198412 568072863 /nfs/dbraw/zinc/07/28/63/568072863.db2.gz PVQANQKSWZVNFR-KBPBESRZSA-N 1 0 356.430 2.075 20 30 FEEDRO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)n1cc(CC[NH+](C)C)nn1 ZINC000603199506 568072959 /nfs/dbraw/zinc/07/29/59/568072959.db2.gz SRWSDVNNJABUGP-AWEZNQCLSA-N 1 0 358.421 2.029 20 30 FEEDRO CC[NH2+]Cc1ccn(Cc2cn(Cc3ccccc3C(C)(C)C#N)nn2)n1 ZINC000603250939 568078602 /nfs/dbraw/zinc/07/86/02/568078602.db2.gz QEAGSZQIPDFQOJ-UHFFFAOYSA-N 1 0 363.469 2.482 20 30 FEEDRO CC#CC[C@H](CO)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000603432217 568097155 /nfs/dbraw/zinc/09/71/55/568097155.db2.gz LDWHDMXHHYXPTI-GFCCVEGCSA-N 1 0 374.178 2.063 20 30 FEEDRO Cc1cc(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)ncc1C#N ZINC000568661666 568109167 /nfs/dbraw/zinc/10/91/67/568109167.db2.gz VWXOQTVTFWQPAA-KRWDZBQOSA-N 1 0 369.469 2.114 20 30 FEEDRO C=CC(C)(C)CCNC(=O)C(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000636853213 568141124 /nfs/dbraw/zinc/14/11/24/568141124.db2.gz NXHKZYYIUULIRQ-INIZCTEOSA-N 1 0 372.513 2.442 20 30 FEEDRO COc1ccc(CC[NH2+]C[C@@H](O)COc2ccc(C#N)cc2)c(OC)c1 ZINC000568975719 568259993 /nfs/dbraw/zinc/25/99/93/568259993.db2.gz KIZPCNIKSHIWCP-QGZVFWFLSA-N 1 0 356.422 2.147 20 30 FEEDRO CC[NH+]1CCN(c2ccccc2NCc2cnc3c(C#N)cnn3c2)CC1 ZINC000570570928 568488670 /nfs/dbraw/zinc/48/86/70/568488670.db2.gz RDXNFEGAANGHBF-UHFFFAOYSA-N 1 0 361.453 2.355 20 30 FEEDRO C=C(C)CN(CC)C(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000637185247 568534718 /nfs/dbraw/zinc/53/47/18/568534718.db2.gz GTNCMXRALMOLOK-MJGOQNOKSA-N 1 0 357.498 2.295 20 30 FEEDRO N#Cc1ncc(NC(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)cc1Cl ZINC000556666672 674411221 /nfs/dbraw/zinc/41/12/21/674411221.db2.gz AHTURKGNIHSQPC-GFCCVEGCSA-N 1 0 363.849 2.229 20 30 FEEDRO C[C@H]([NH2+]CCC(=O)Nc1sccc1C#N)c1ccc(-c2nn[nH]n2)cc1 ZINC000736137396 598559573 /nfs/dbraw/zinc/55/95/73/598559573.db2.gz XDUXCGOIUKRAQU-NSHDSACASA-N 1 0 367.438 2.479 20 30 FEEDRO C[C@@H](c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000736198429 599307463 /nfs/dbraw/zinc/30/74/63/599307463.db2.gz IJFZUQSJMLBFNN-AWEZNQCLSA-N 1 0 360.425 2.017 20 30 FEEDRO Cc1nnc(CC[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)s1 ZINC000558480473 674499124 /nfs/dbraw/zinc/49/91/24/674499124.db2.gz JCDVHYCGSKJMDC-UHFFFAOYSA-N 1 0 353.455 2.351 20 30 FEEDRO C[N@H+](CC1CC1)C[C@H]1CCN(S(=O)(=O)c2ccc(F)c(C#N)c2)C1 ZINC000558681183 674510299 /nfs/dbraw/zinc/51/02/99/674510299.db2.gz HRXOAASFEDJVHY-CQSZACIVSA-N 1 0 351.447 2.050 20 30 FEEDRO C[C@H]([NH2+]CCOc1ccc(-c2nn[nH]n2)cc1)c1ccc(OCC#N)cc1 ZINC000824600362 608493436 /nfs/dbraw/zinc/49/34/36/608493436.db2.gz ZATATOYLLSJBFD-AWEZNQCLSA-N 1 0 364.409 2.499 20 30 FEEDRO C[C@@H]([NH2+]CCOc1ccc(-c2nn[nH]n2)cc1)c1ccc(OCC#N)cc1 ZINC000824600363 608493474 /nfs/dbraw/zinc/49/34/74/608493474.db2.gz ZATATOYLLSJBFD-CQSZACIVSA-N 1 0 364.409 2.499 20 30 FEEDRO C#CC[C@@H]([NH2+]CC(=O)Nc1oc(C)c(C)c1-c1nn[nH]n1)c1ccccc1 ZINC000823838669 608518939 /nfs/dbraw/zinc/51/89/39/608518939.db2.gz SPLRPZCPUVQLQQ-OAHLLOKOSA-N 1 0 364.409 2.369 20 30 FEEDRO C#C[C@@H](NC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)c1ccc(Cl)cc1 ZINC000811914191 674638999 /nfs/dbraw/zinc/63/89/99/674638999.db2.gz DEBJLVBVEPMOJU-QGZVFWFLSA-N 1 0 362.905 2.340 20 30 FEEDRO C[NH+](C)CCCNC(=S)NN=C1CC(C)(C)Oc2cc(O)ccc21 ZINC000814845714 674883784 /nfs/dbraw/zinc/88/37/84/674883784.db2.gz SPHBENCHAVELLB-UHFFFAOYSA-N 1 0 350.488 2.073 20 30 FEEDRO C#CC[N@@H+](C)CCCNS(=O)(=O)c1ccc(OCCC(C)C)cc1 ZINC000815082803 674914085 /nfs/dbraw/zinc/91/40/85/674914085.db2.gz GCZHIYGCCMGBCB-UHFFFAOYSA-N 1 0 352.500 2.345 20 30 FEEDRO CC#CC[N@H+]1C[C@H]2CN(C(=O)CC[C@@H]3CC[C@H](C(F)(F)F)O3)C[C@H]2C1 ZINC001048872983 675017496 /nfs/dbraw/zinc/01/74/96/675017496.db2.gz JRLVQLALDGHZGR-XUWVNRHRSA-N 1 0 358.404 2.290 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](C[C@H](CC)OC)C[C@@H]2C1 ZINC001049104424 675023194 /nfs/dbraw/zinc/02/31/94/675023194.db2.gz LSNXGNWPVYSFGS-PJVZLEMVSA-N 1 0 350.503 2.173 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3ccns3)C[C@@H]2C1 ZINC001049104898 675023250 /nfs/dbraw/zinc/02/32/50/675023250.db2.gz XNVLTCBVQVOXEG-MVJTYMMSSA-N 1 0 361.511 2.405 20 30 FEEDRO O=C(c1ccc(F)c(F)c1)C(C(=S)NC1CC1)[n+]1cccc(CO)c1 ZINC000022688366 670043290 /nfs/dbraw/zinc/04/32/90/670043290.db2.gz KVJVFEKWGGRCLB-UHFFFAOYSA-O 1 0 363.409 2.435 20 30 FEEDRO CCN(CC)c1ccc(/C=[NH+]/CCCN(C)S(=O)(=O)CC)c(O)c1 ZINC000031643576 670123526 /nfs/dbraw/zinc/12/35/26/670123526.db2.gz ZKFXDHHJUADARE-NBVRZTHBSA-N 1 0 355.504 2.329 20 30 FEEDRO C[C@H]([NH3+])[C@@H]1CCCN(S(=O)(=O)c2cccc(Br)c2C#N)C1 ZINC000564959422 675081848 /nfs/dbraw/zinc/08/18/48/675081848.db2.gz WOZLVKWKAGUTAS-WDEREUQCSA-N 1 0 372.288 2.069 20 30 FEEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCC(=O)N(CC)CC ZINC000052485635 670314534 /nfs/dbraw/zinc/31/45/34/670314534.db2.gz KIVSFMPENNTBQJ-UHFFFAOYSA-N 1 0 365.547 2.453 20 30 FEEDRO C[NH+]=C(NCc1nc(C)no1)N(C)Cc1ccc(Br)cc1 ZINC000073761562 670506495 /nfs/dbraw/zinc/50/64/95/670506495.db2.gz KGJYYQBRZVHSEY-UHFFFAOYSA-N 1 0 352.236 2.348 20 30 FEEDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc(CC#N)cc2Cl)C1 ZINC000569559673 670578286 /nfs/dbraw/zinc/57/82/86/670578286.db2.gz RLVSWANMAWMSHE-AWEZNQCLSA-N 1 0 362.861 2.191 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@@H+]2CC2CCCCC2)cn1 ZINC000109136253 670837382 /nfs/dbraw/zinc/83/73/82/670837382.db2.gz QJOCLOHMRAXBTC-KRWDZBQOSA-N 1 0 362.499 2.276 20 30 FEEDRO CC1CCN([C@@H](C[NH2+]C[C@@H](O)CN(C)CCC#N)c2cccs2)CC1 ZINC000565762830 675149504 /nfs/dbraw/zinc/14/95/04/675149504.db2.gz ZCUQHXYKEDTNJO-MSOLQXFVSA-N 1 0 364.559 2.317 20 30 FEEDRO C[C@@H](Cc1cccc(Br)c1)[NH2+]C[C@@H](O)CN(C)CCC#N ZINC000572223567 670975163 /nfs/dbraw/zinc/97/51/63/670975163.db2.gz GQBAKKYSRXTMNA-XJKSGUPXSA-N 1 0 354.292 2.176 20 30 FEEDRO Cc1cccc2c1OC[C@@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)C2 ZINC000572596054 671021196 /nfs/dbraw/zinc/02/11/96/671021196.db2.gz FGBOPLNZKKOBNX-KRWDZBQOSA-N 1 0 356.447 2.234 20 30 FEEDRO Cc1cc(Br)cc(C)c1C[NH2+]C[C@@H](O)CN(C)CCC#N ZINC000566109011 675181810 /nfs/dbraw/zinc/18/18/10/675181810.db2.gz JTOFUZNAPRKYQV-OAHLLOKOSA-N 1 0 354.292 2.362 20 30 FEEDRO Cc1nc(SCC(=O)N[C@H]2C[NH2+]CCC2(F)F)c(C#N)c(C)c1C ZINC000574287361 671222947 /nfs/dbraw/zinc/22/29/47/671222947.db2.gz DSGKGACVEZLVLX-ZDUSSCGKSA-N 1 0 354.426 2.084 20 30 FEEDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)Nc1cnc(C#N)c(Cl)c1 ZINC000575094389 671297989 /nfs/dbraw/zinc/29/79/89/671297989.db2.gz NSEALUWMIJNQPG-GFCCVEGCSA-N 1 0 363.849 2.324 20 30 FEEDRO CSC1(CNS(=O)(=O)c2cccc(Cl)c2C#N)CC[NH+](C)CC1 ZINC000577149161 671419819 /nfs/dbraw/zinc/41/98/19/671419819.db2.gz ZENFKIITHIPCHR-UHFFFAOYSA-N 1 0 373.931 2.317 20 30 FEEDRO N#Cc1ccc(SCC(=O)N2CCC[N@H+](C[C@@H]3CCCO3)CC2)cc1 ZINC000609129229 675911119 /nfs/dbraw/zinc/91/11/19/675911119.db2.gz BQZGIOGBPMGJEB-KRWDZBQOSA-N 1 0 359.495 2.364 20 30 FEEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000609403376 675921379 /nfs/dbraw/zinc/92/13/79/675921379.db2.gz QVGOIDAMISIKAR-KBPBESRZSA-N 1 0 360.483 2.087 20 30 FEEDRO C=CCC[C@H](CO)[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000578192836 671647590 /nfs/dbraw/zinc/64/75/90/671647590.db2.gz BOXJTLAIUDBXLC-CYBMUJFWSA-N 1 0 362.289 2.140 20 30 FEEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+]C[C@@H]2CCOc3ccccc32)c1 ZINC000579583380 671746565 /nfs/dbraw/zinc/74/65/65/671746565.db2.gz QVYDESQTKSDJHA-INIZCTEOSA-N 1 0 356.447 2.488 20 30 FEEDRO COc1ccc(CC[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)cc1F ZINC000581543582 671909013 /nfs/dbraw/zinc/90/90/13/671909013.db2.gz NBRQUGPLMGYITF-UHFFFAOYSA-N 1 0 362.426 2.312 20 30 FEEDRO C#CCOc1ccc(Br)cc1C[NH2+]CC(C)(C)C(=O)NC ZINC000120274046 671921750 /nfs/dbraw/zinc/92/17/50/671921750.db2.gz NMFQSTWDFUKOEA-UHFFFAOYSA-N 1 0 353.260 2.323 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000581851883 671941202 /nfs/dbraw/zinc/94/12/02/671941202.db2.gz IJOVMHAOZPTWNX-INIZCTEOSA-N 1 0 361.511 2.396 20 30 FEEDRO CC[NH+](CC)CC#C[C@@H](C)OC(=O)CN1C(=O)CSc2ccccc21 ZINC000121371279 671947800 /nfs/dbraw/zinc/94/78/00/671947800.db2.gz XYLCEEGPTNTHNC-OAHLLOKOSA-N 1 0 360.479 2.402 20 30 FEEDRO Cc1ccc(S(=O)(=O)NCCNC(=[NH2+])Nc2ccc(C)c(C)c2)s1 ZINC000151422405 672162690 /nfs/dbraw/zinc/16/26/90/672162690.db2.gz NBHXPBDXNJDDIT-UHFFFAOYSA-N 1 0 366.512 2.378 20 30 FEEDRO CC[NH+]=C(NCC1CCN(C(C)=O)CC1)N1CCS[C@H](C(C)C)C1 ZINC000153762622 672204032 /nfs/dbraw/zinc/20/40/32/672204032.db2.gz IBHSWCSAHCFNFH-KRWDZBQOSA-N 1 0 354.564 2.284 20 30 FEEDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)Nc1ccc(F)cc1OCC#N ZINC000156753474 672250208 /nfs/dbraw/zinc/25/02/08/672250208.db2.gz QRARLTFSFQUOSE-AWEZNQCLSA-N 1 0 352.410 2.206 20 30 FEEDRO CCOC(=O)N1CCC(NC(=[NH2+])NCCO[C@H]2CCCC[C@H]2C)CC1 ZINC000170904196 672326946 /nfs/dbraw/zinc/32/69/46/672326946.db2.gz SVWNQNWJGLTPCG-ZBFHGGJFSA-N 1 0 354.495 2.107 20 30 FEEDRO CCNC(NCc1nnc(-c2ccc(Br)cc2)[nH]1)=[NH+]CC ZINC000171042938 672328724 /nfs/dbraw/zinc/32/87/24/672328724.db2.gz KHRVDQFABKHXEB-UHFFFAOYSA-N 1 0 351.252 2.309 20 30 FEEDRO C[NH+]=C(NCc1ccc(Cl)s1)N1CCN(c2ncccn2)CC1 ZINC000172257627 672340633 /nfs/dbraw/zinc/34/06/33/672340633.db2.gz AODNZQSPICQVSQ-UHFFFAOYSA-N 1 0 350.879 2.089 20 30 FEEDRO CCOC(=O)CCC1CC[NH+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC1 ZINC000610995830 676009518 /nfs/dbraw/zinc/00/95/18/676009518.db2.gz GBVLFKWTJBUZRQ-KXBFYZLASA-N 1 0 351.491 2.485 20 30 FEEDRO CC1(C)COCCN1CCNC(=[NH2+])Nc1ccccc1OC(F)(F)F ZINC000178574597 672392502 /nfs/dbraw/zinc/39/25/02/672392502.db2.gz NOSAZOGANMTXKS-UHFFFAOYSA-N 1 0 360.380 2.423 20 30 FEEDRO COc1cc(CON=C(N)C[N@@H+]2CCCC[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000183964664 672486446 /nfs/dbraw/zinc/48/64/46/672486446.db2.gz VWEKNTLPSVATDI-NSHDSACASA-N 1 0 354.382 2.406 20 30 FEEDRO CCCCCCNC(=[NH2+])NCc1cccc(N2CCCS2(=O)=O)c1 ZINC000184875704 672509464 /nfs/dbraw/zinc/50/94/64/672509464.db2.gz QNVCZPSCBHBRLU-UHFFFAOYSA-N 1 0 352.504 2.211 20 30 FEEDRO C[NH+](C)CCN1CCN(C(=O)c2c(Cl)cc(C#N)cc2Cl)CC1 ZINC000590617223 672596755 /nfs/dbraw/zinc/59/67/55/672596755.db2.gz GCZKWCUZFHMNPX-UHFFFAOYSA-N 1 0 355.269 2.184 20 30 FEEDRO C=CCn1c(C2CC2)nn(CN2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)c1=S ZINC000188842776 672599264 /nfs/dbraw/zinc/59/92/64/672599264.db2.gz TYNCDQNQDBTAQH-AWEZNQCLSA-N 1 0 365.547 2.212 20 30 FEEDRO CN1CCC([N@@H+]2CC[C@@H](Nc3ncc(Br)cc3C#N)C2)CC1 ZINC000590690089 672602305 /nfs/dbraw/zinc/60/23/05/672602305.db2.gz PUOWBUUOGUWJKT-CQSZACIVSA-N 1 0 364.291 2.296 20 30 FEEDRO C[C@H](c1ccccc1)[C@H](CO)[NH2+][C@@H]1CCN(c2sccc2C#N)C1=O ZINC000591029352 672643146 /nfs/dbraw/zinc/64/31/46/672643146.db2.gz JJOLPMQQFITPHX-XYPHTWIQSA-N 1 0 355.463 2.479 20 30 FEEDRO N#CCN1CCC([NH2+]C[C@@H](O)COc2ccccc2C(F)(F)F)CC1 ZINC000591735958 672706738 /nfs/dbraw/zinc/70/67/38/672706738.db2.gz AOVOYYMUHVBQQA-CQSZACIVSA-N 1 0 357.376 2.023 20 30 FEEDRO N#CC[C@@]1(O)CCN(C(=O)NCC2CC[NH+](Cc3cccs3)CC2)C1 ZINC000591936221 672723543 /nfs/dbraw/zinc/72/35/43/672723543.db2.gz UKSBARRXVLZCTB-GOSISDBHSA-N 1 0 362.499 2.020 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N[C@H]2CC[C@@H](C(=O)OC(C)(C)C)C2)CC1 ZINC000591938945 672724236 /nfs/dbraw/zinc/72/42/36/672724236.db2.gz MEXKOWRKXCYUSL-ZBFHGGJFSA-N 1 0 351.491 2.446 20 30 FEEDRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2ccc(OCC#N)cc2)cc1 ZINC000193696188 672733500 /nfs/dbraw/zinc/73/35/00/672733500.db2.gz FZHVJCJOCJZBBB-AWEZNQCLSA-N 1 0 359.451 2.348 20 30 FEEDRO N#CC[C@@]1(O)CC[N@H+](CCC(=O)Nc2ccc(Br)cc2F)C1 ZINC000592145919 672764136 /nfs/dbraw/zinc/76/41/36/672764136.db2.gz BGRNXVXZLCGUEB-OAHLLOKOSA-N 1 0 370.222 2.267 20 30 FEEDRO CC(C)[C@@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)C1(CO)CC=CC1 ZINC000592176231 672767605 /nfs/dbraw/zinc/76/76/05/672767605.db2.gz DUYDJUQKNQPGEX-GOSISDBHSA-N 1 0 362.495 2.275 20 30 FEEDRO CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](CCCOc2cccc(C#N)c2)C1 ZINC000592186173 672768867 /nfs/dbraw/zinc/76/88/67/672768867.db2.gz TYBRFSZWISASFT-INIZCTEOSA-N 1 0 355.360 2.328 20 30 FEEDRO C[NH2+][C@H](C)Cc1noc([C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)n1 ZINC000592355538 672791362 /nfs/dbraw/zinc/79/13/62/672791362.db2.gz REJQASAVETXWKT-ZYHUDNBSSA-N 1 0 359.817 2.266 20 30 FEEDRO CCN1C(=O)[C@@H](CC(=O)NCCC[NH+](C)C)SC1=Nc1ccccc1 ZINC000255625436 672894752 /nfs/dbraw/zinc/89/47/52/672894752.db2.gz DAZFVMNVBBFUCB-OAHLLOKOSA-N 1 0 362.499 2.096 20 30 FEEDRO C[NH+]=C(NCCc1sc(C)nc1C)N1CC(=O)N(C(C)C)C(C)(C)C1 ZINC000261794355 672902985 /nfs/dbraw/zinc/90/29/85/672902985.db2.gz GJNHRDUAIKBQSL-UHFFFAOYSA-N 1 0 365.547 2.209 20 30 FEEDRO CCc1nc(CCNC(=[NH+]C)N2CC(=O)N(C(C)C)C(C)(C)C2)cs1 ZINC000261766543 672903196 /nfs/dbraw/zinc/90/31/96/672903196.db2.gz DIHRKROXDGJGCJ-UHFFFAOYSA-N 1 0 365.547 2.155 20 30 FEEDRO C[NH+]=C(NCc1cc(Cl)c2c(c1)OCCO2)N1CC[C@@]2(CCOC2)C1 ZINC000261940065 672905384 /nfs/dbraw/zinc/90/53/84/672905384.db2.gz DIUBHKDTXDXSTP-GOSISDBHSA-N 1 0 365.861 2.299 20 30 FEEDRO C[NH+]=C(NCc1cc(F)ccc1SC)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261967215 672906384 /nfs/dbraw/zinc/90/63/84/672906384.db2.gz LTPPIBIIDDTPSO-UHFFFAOYSA-N 1 0 373.519 2.132 20 30 FEEDRO O=S1(=O)CC[C@H](CNC(NC[C@H]2CCCCS2)=[NH+]C2CCCC2)C1 ZINC000262346312 672913796 /nfs/dbraw/zinc/91/37/96/672913796.db2.gz DKBOTXDVLPLHNK-GDBMZVCRSA-N 1 0 373.588 2.185 20 30 FEEDRO CC1(C)CN(C(NC[C@H]2CCS(=O)(=O)C2)=[NH+]C2CCCC2)CCS1 ZINC000262396978 672914683 /nfs/dbraw/zinc/91/46/83/672914683.db2.gz NCLHCZMNQNMXHO-CQSZACIVSA-N 1 0 373.588 2.137 20 30 FEEDRO C#Cc1cccc(NC(=O)CNC(NCc2sc(C)nc2C)=[NH+]C)c1 ZINC000262412394 672915271 /nfs/dbraw/zinc/91/52/71/672915271.db2.gz PNANPROREYXQJY-UHFFFAOYSA-N 1 0 355.467 2.045 20 30 FEEDRO CC[NH+]=C(NC[C@@H]1CCCO[C@@H]1C(C)(C)C)N[C@H]1CCC(=O)N(C)C1 ZINC000262623196 672918273 /nfs/dbraw/zinc/91/82/73/672918273.db2.gz CZGQSEPIPMUZSE-ZOBUZTSGSA-N 1 0 352.523 2.004 20 30 FEEDRO C#CCNC(NC[C@@H]1CCN(c2cccc(Br)c2)C1)=[NH+]CC ZINC000262609239 672918320 /nfs/dbraw/zinc/91/83/20/672918320.db2.gz AIDORVIVUCKUSN-AWEZNQCLSA-N 1 0 363.303 2.464 20 30 FEEDRO CCc1ccc(NC(=[NH2+])NC[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)cc1 ZINC000262662357 672918714 /nfs/dbraw/zinc/91/87/14/672918714.db2.gz NFSCBGFUNAQQSV-HOCLYGCPSA-N 1 0 352.504 2.084 20 30 FEEDRO C[NH+]=C(NCc1csc(Br)c1)N[C@@H]1CCN(C2CC2)C1 ZINC000262691904 672919109 /nfs/dbraw/zinc/91/91/09/672919109.db2.gz ADMRHZYCJDBYTG-LLVKDONJSA-N 1 0 357.321 2.412 20 30 FEEDRO [NH2+]=C(NC[C@@]1(Cc2ccc(F)cc2)CCC[C@H]1O)N1CCSCC1 ZINC000263255663 672930438 /nfs/dbraw/zinc/93/04/38/672930438.db2.gz KUVSMSGYCUWQMT-AEFFLSMTSA-N 1 0 351.491 2.263 20 30 FEEDRO CC[N@@H+]1CCN(C(=O)Cc2ccc(Br)cc2C#N)[C@@H](C)C1 ZINC000593699038 672980378 /nfs/dbraw/zinc/98/03/78/672980378.db2.gz XEFPRCVAPHMWDF-LBPRGKRZSA-N 1 0 350.260 2.416 20 30 FEEDRO Cc1ccc(S(=O)(=O)NCCNC(=[NH2+])N[C@H](C)CCCC(C)C)cc1 ZINC000303789777 673018200 /nfs/dbraw/zinc/01/82/00/673018200.db2.gz VSUGCRAXTKAEOI-MRXNPFEDSA-N 1 0 368.547 2.392 20 30 FEEDRO CC(C)(C[NH+]=C(Nc1ccccc1)N1CCCCC1)NS(C)(=O)=O ZINC000304746612 673020137 /nfs/dbraw/zinc/02/01/37/673020137.db2.gz FYUFQQDTWFBPSN-UHFFFAOYSA-N 1 0 352.504 2.268 20 30 FEEDRO COc1ccc(CNC(=[NH2+])NC[C@@H](O)c2ccccc2Cl)cc1OC ZINC000304745895 673020195 /nfs/dbraw/zinc/02/01/95/673020195.db2.gz FIRGYTPGNZRNQT-OAHLLOKOSA-N 1 0 363.845 2.495 20 30 FEEDRO [NH2+]=C(NCCn1cc([N+](=O)[O-])cn1)Nc1ccc(OC(F)(F)F)cc1 ZINC000305179995 673021334 /nfs/dbraw/zinc/02/13/34/673021334.db2.gz WBMKYJWXTUEQBE-UHFFFAOYSA-N 1 0 358.280 2.117 20 30 FEEDRO C=C[C@@H](O)C(=O)Nc1ccc(C(=O)NCCC[NH+](CC)CC)c(Cl)c1 ZINC000612647846 676091808 /nfs/dbraw/zinc/09/18/08/676091808.db2.gz FHCGHACFJCPPSI-MRXNPFEDSA-N 1 0 367.877 2.287 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)N[C@H](C[C@@H]1CCCO1)C(F)(F)F ZINC000594180379 673041169 /nfs/dbraw/zinc/04/11/69/673041169.db2.gz ZNBXCNLEERXBDC-UONOGXRCSA-N 1 0 364.412 2.363 20 30 FEEDRO N#CCCCC[C@H]([NH3+])C(=O)NCCc1cc(Cl)c2c(c1)OCCO2 ZINC000594429579 673070693 /nfs/dbraw/zinc/07/06/93/673070693.db2.gz RPVPXDBZXLLGCJ-AWEZNQCLSA-N 1 0 351.834 2.181 20 30 FEEDRO N#CCCCC[C@@H]([NH3+])C(=O)N1CCC(n2cc(Br)cn2)CC1 ZINC000594433584 673071206 /nfs/dbraw/zinc/07/12/06/673071206.db2.gz HMJSSUVNYPMXAX-CQSZACIVSA-N 1 0 368.279 2.220 20 30 FEEDRO N#CCCCC[C@H]([NH3+])C(=O)NC[C@H]1CCN(c2ccc(F)c(F)c2)C1 ZINC000594438958 673071854 /nfs/dbraw/zinc/07/18/54/673071854.db2.gz RISLWNCFAPGCLB-DYVFJYSZSA-N 1 0 350.413 2.319 20 30 FEEDRO N#CCCCC[C@@H]([NH3+])C(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000594441313 673071949 /nfs/dbraw/zinc/07/19/49/673071949.db2.gz QTEZPJXMCOWIGO-CQSZACIVSA-N 1 0 370.284 2.448 20 30 FEEDRO COC(=O)[C@@H](NC(=O)[C@@H]([NH3+])CCCCC#N)c1ccc(Cl)c(F)c1 ZINC000594443185 673072580 /nfs/dbraw/zinc/07/25/80/673072580.db2.gz NOULRQZQKDBRFJ-KBPBESRZSA-N 1 0 355.797 2.221 20 30 FEEDRO CCC[NH+]1CCC(NC(=O)N2CCN(Cc3cnc(C)s3)CC2)CC1 ZINC000329769275 673082967 /nfs/dbraw/zinc/08/29/67/673082967.db2.gz HNYCOMQRRRYPJZ-UHFFFAOYSA-N 1 0 365.547 2.358 20 30 FEEDRO C[C@H](NS(=O)(=O)c1ccccc1)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000329954315 673084765 /nfs/dbraw/zinc/08/47/65/673084765.db2.gz NUHBQCMBATYAOL-AWEZNQCLSA-N 1 0 365.499 2.184 20 30 FEEDRO N#Cc1ccc(CS(=O)(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c(F)c1 ZINC000594483770 673087955 /nfs/dbraw/zinc/08/79/55/673087955.db2.gz PIKCVEHWEGXRQD-IAGOWNOFSA-N 1 0 351.447 2.134 20 30 FEEDRO COCc1csc(C[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)c1 ZINC000594732518 673125620 /nfs/dbraw/zinc/12/56/20/673125620.db2.gz MIOVYMDSAYUPNX-UHFFFAOYSA-N 1 0 350.465 2.330 20 30 FEEDRO N#Cc1ccc(SCC(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000728610806 673205971 /nfs/dbraw/zinc/20/59/71/673205971.db2.gz NKGPZTVQWKWCSX-KRWDZBQOSA-N 1 0 359.495 2.410 20 30 FEEDRO C=CCN1C(=S)N=NC1c1sc(NC(=O)[C@@H]2CC[N@@H+](C)C2)nc1C ZINC000729284324 673231257 /nfs/dbraw/zinc/23/12/57/673231257.db2.gz YQEPJVDNGAZPQN-SNVBAGLBSA-N 1 0 364.500 2.075 20 30 FEEDRO C[C@H]1C[C@H](NC(=O)N2CCN(c3ccsc3C#N)CC2)C[N@@H+]1C1CC1 ZINC000595553434 673265448 /nfs/dbraw/zinc/26/54/48/673265448.db2.gz HEPKZILDXADQEB-KBPBESRZSA-N 1 0 359.499 2.077 20 30 FEEDRO CO[C@@H]1CCC[C@@H]([C@@H](CO)[NH2+]CCC(=O)Nc2sccc2C#N)C1 ZINC000595630689 673276305 /nfs/dbraw/zinc/27/63/05/673276305.db2.gz AVFOVEAMEQDUTJ-BPLDGKMQSA-N 1 0 351.472 2.104 20 30 FEEDRO N#Cc1cccc(C[NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)c1 ZINC000733330848 673409978 /nfs/dbraw/zinc/40/99/78/673409978.db2.gz PXAMKJBFFOODNW-UHFFFAOYSA-N 1 0 355.463 2.083 20 30 FEEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@H](C)C(=O)Nc1cccc(S(=O)(=O)NC)c1 ZINC000537968132 673415427 /nfs/dbraw/zinc/41/54/27/673415427.db2.gz RRYACXKHDPFWIS-BFHYXJOUSA-N 1 0 353.488 2.112 20 30 FEEDRO C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N(C)CCCSC ZINC000597283045 673463458 /nfs/dbraw/zinc/46/34/58/673463458.db2.gz AJBUUHSMAKVMQM-CABCVRRESA-N 1 0 351.520 2.189 20 30 FEEDRO CS[C@H]1CN(C(=O)c2cc(F)c(C#N)c(F)c2)C[C@H]1[NH+]1CCCC1 ZINC000597507687 673483356 /nfs/dbraw/zinc/48/33/56/673483356.db2.gz RSPADOGTUDGTQI-CVEARBPZSA-N 1 0 351.422 2.488 20 30 FEEDRO Cc1cc2c(c(Br)c1)NC(=O)C2=NNCC[NH+]1CCCCC1 ZINC000735611854 673498092 /nfs/dbraw/zinc/49/80/92/673498092.db2.gz ANAOCTHDHQSFKT-UHFFFAOYSA-N 1 0 365.275 2.489 20 30 FEEDRO N#Cc1ccc(Cl)c(S(=O)(=O)N2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000613905676 676153199 /nfs/dbraw/zinc/15/31/99/676153199.db2.gz FSJDTLBLHRDJNZ-UHFFFAOYSA-N 1 0 362.842 2.118 20 30 FEEDRO CC(C)[C@H](C#N)N1CCN(C(=O)C[NH2+][C@H](c2cccs2)C2CC2)CC1 ZINC000542510081 673587599 /nfs/dbraw/zinc/58/75/99/673587599.db2.gz ISCPASKAVFGEGS-LPHOPBHVSA-N 1 0 360.527 2.481 20 30 FEEDRO CC(C)C[C@H](NC(=O)c1ccc(Cl)c(C#N)c1)C(=O)NCC[NH+](C)C ZINC000542711900 673599139 /nfs/dbraw/zinc/59/91/39/673599139.db2.gz LTZWNLBKXPILKT-INIZCTEOSA-N 1 0 364.877 2.034 20 30 FEEDRO N#CC1(C[C@H](O)C[N@@H+]2CCCC[C@@H]2[C@H]2CCCC[C@@H]2O)CCOCC1 ZINC000599392948 673668678 /nfs/dbraw/zinc/66/86/78/673668678.db2.gz CGMLUQWZGJAONH-MANSERQUSA-N 1 0 350.503 2.463 20 30 FEEDRO N#CC1(C[C@H](O)C[NH2+]CC2(N3CCSCC3)CCCC2)CCOCC1 ZINC000600720069 673794374 /nfs/dbraw/zinc/79/43/74/673794374.db2.gz XCSXWLCENONMJR-KRWDZBQOSA-N 1 0 367.559 2.009 20 30 FEEDRO N#Cc1ccccc1OC[C@@H](O)C[NH2+][C@@H]1CCOC2(CCSCC2)C1 ZINC000600726609 673794775 /nfs/dbraw/zinc/79/47/75/673794775.db2.gz IDTKAFXCONZMCH-SJORKVTESA-N 1 0 362.495 2.332 20 30 FEEDRO N#CC1(C[C@H](O)C[NH2+][C@@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)CC1 ZINC000600732799 673795156 /nfs/dbraw/zinc/79/51/56/673795156.db2.gz UZWXNVKBUBWXNX-SWLSCSKDSA-N 1 0 351.809 2.229 20 30 FEEDRO C=CCOc1ccc(C[NH2+][C@@H](C)C(=O)N[C@@H](C)C(=O)OC)cc1Cl ZINC000601146683 673828925 /nfs/dbraw/zinc/82/89/25/673828925.db2.gz NAOWCBWVJIYOOT-RYUDHWBXSA-N 1 0 354.834 2.061 20 30 FEEDRO C[C@H]1[C@H]([NH+](C)C)CCN1S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000601421130 673859635 /nfs/dbraw/zinc/85/96/35/673859635.db2.gz CGXNPLJSNMSAHP-GXFFZTMASA-N 1 0 361.389 2.290 20 30 FEEDRO Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000601421386 673859762 /nfs/dbraw/zinc/85/97/62/673859762.db2.gz FRVYBTDLHDFPSY-QGZVFWFLSA-N 1 0 351.447 2.112 20 30 FEEDRO CCC(CC)[C@@H](CNc1ccc(C#N)cc1CS(N)(=O)=O)[NH+](C)C ZINC000603269878 673920073 /nfs/dbraw/zinc/92/00/73/673920073.db2.gz BQFUHVNDCYDIQZ-QGZVFWFLSA-N 1 0 352.504 2.125 20 30 FEEDRO C[NH+](C)[C@H](CNc1ccc(C#N)cc1CS(N)(=O)=O)c1ccccc1 ZINC000603266550 673920119 /nfs/dbraw/zinc/92/01/19/673920119.db2.gz CSFZHMTTZSFHCX-GOSISDBHSA-N 1 0 358.467 2.062 20 30 FEEDRO N#Cc1cc(N2CCC[C@H](C[NH+]3CCOCC3)C2)ncc1Br ZINC000603370071 673926690 /nfs/dbraw/zinc/92/66/90/673926690.db2.gz JTGARSNOYLVSOR-CYBMUJFWSA-N 1 0 365.275 2.264 20 30 FEEDRO N#Cc1cc(N2CCC([N@@H+]3CCCOCC3)CC2)ncc1Br ZINC000603398225 673929429 /nfs/dbraw/zinc/92/94/29/673929429.db2.gz CUTWATIDCLDIMB-UHFFFAOYSA-N 1 0 365.275 2.407 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)Cc2ccc(Br)cc2O)CC1 ZINC000548730732 673990774 /nfs/dbraw/zinc/99/07/74/673990774.db2.gz JXSZQMDNEGSFMV-UHFFFAOYSA-N 1 0 353.260 2.464 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)Cn1c2ccccc2nc1C(F)(F)F ZINC000818589050 675226461 /nfs/dbraw/zinc/22/64/61/675226461.db2.gz NGGOEISROJPIOS-UHFFFAOYSA-N 1 0 352.360 2.126 20 30 FEEDRO C[NH+](C)CCn1nccc1NC(=O)C#Cc1ccc(C(F)(F)F)cc1 ZINC000818937734 675244086 /nfs/dbraw/zinc/24/40/86/675244086.db2.gz NCALAKFTFFYFLD-UHFFFAOYSA-N 1 0 350.344 2.454 20 30 FEEDRO N#Cc1ccc([C@@H](O)C[NH2+]CCNc2nccc(C(F)(F)F)n2)cc1 ZINC000819086553 675259441 /nfs/dbraw/zinc/25/94/41/675259441.db2.gz SXNJRDJGHGIRII-ZDUSSCGKSA-N 1 0 351.332 2.102 20 30 FEEDRO N#CCc1ccc(OC[C@H](O)C[NH2+][C@@H]2CC[C@H]3SCCS[C@@H]23)cc1 ZINC000819196998 675268788 /nfs/dbraw/zinc/26/87/88/675268788.db2.gz GPGBWFKFQJIDPT-DDBAPUKQSA-N 1 0 364.536 2.462 20 30 FEEDRO C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)C1 ZINC000819225538 675271561 /nfs/dbraw/zinc/27/15/61/675271561.db2.gz DCDSJKHZBIQPIW-HUUCEWRRSA-N 1 0 352.479 2.126 20 30 FEEDRO C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)C1 ZINC000819256200 675274529 /nfs/dbraw/zinc/27/45/29/675274529.db2.gz JVKHNBYRLMQVTG-LSDHHAIUSA-N 1 0 352.479 2.032 20 30 FEEDRO CS(=O)(=O)c1ccc([C@H](O)C[NH2+][C@H]2CCc3cc(C#N)ccc32)cc1 ZINC000819271954 675276090 /nfs/dbraw/zinc/27/60/90/675276090.db2.gz YKWIOUZIOONEJB-RBUKOAKNSA-N 1 0 356.447 2.272 20 30 FEEDRO C=CCOc1ccc(C[NH2+]C[C@@H](O)c2ccc(S(C)(=O)=O)cc2)cc1 ZINC000819303347 675279077 /nfs/dbraw/zinc/27/90/77/675279077.db2.gz CVTDRDWAMYXAEF-LJQANCHMSA-N 1 0 361.463 2.478 20 30 FEEDRO C[C@]1(C[NH2+]C[C@H](O)COc2ccc(C#N)cc2)OCCc2sccc21 ZINC000567582458 675303920 /nfs/dbraw/zinc/30/39/20/675303920.db2.gz JGCKMVCSGHFPJR-HNAYVOBHSA-N 1 0 358.463 2.437 20 30 FEEDRO N#C[C@]1(F)CCN(CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C1 ZINC000615647496 676222950 /nfs/dbraw/zinc/22/29/50/676222950.db2.gz YYPYXCZLUQMGIF-GOSISDBHSA-N 1 0 362.474 2.111 20 30 FEEDRO C#CCN(CC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)C(=O)OC(C)(C)C ZINC000820444965 675363113 /nfs/dbraw/zinc/36/31/13/675363113.db2.gz BLRLOOJOLZHUJL-UHFFFAOYSA-N 1 0 351.491 2.282 20 30 FEEDRO C=CC1(CC(=O)N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)CN(C(=O)OC(C)(C)C)C1 ZINC000820687798 675378818 /nfs/dbraw/zinc/37/88/18/675378818.db2.gz AHKIDXJSLMAVGT-GASCZTMLSA-N 1 0 351.491 2.351 20 30 FEEDRO C=CCNS(=O)(=O)c1ccc(C(=O)OCC[C@@H]2CCCC[N@H+]2C)cc1 ZINC000823533520 675558896 /nfs/dbraw/zinc/55/88/96/675558896.db2.gz JWYGGDZKWAAWNO-INIZCTEOSA-N 1 0 366.483 2.182 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)Nc2cc(C(N)=O)c(Cl)cc2Cl)CC1 ZINC000823808648 675572766 /nfs/dbraw/zinc/57/27/66/675572766.db2.gz QPCDVPAMYOEDKN-UHFFFAOYSA-N 1 0 354.237 2.376 20 30 FEEDRO C#CCN(CC(=O)NCCC1CC[NH+](CC)CC1)C(=O)OC(C)(C)C ZINC000828748130 675841749 /nfs/dbraw/zinc/84/17/49/675841749.db2.gz BFUQUCVHNNPGPZ-UHFFFAOYSA-N 1 0 351.491 2.095 20 30 FEEDRO C[C@H]1CCC[N@@H+]1CCNC(=O)COc1cccc(Br)c1C#N ZINC000828840142 675847900 /nfs/dbraw/zinc/84/79/00/675847900.db2.gz LPKNPAJZSNMUOM-LBPRGKRZSA-N 1 0 366.259 2.300 20 30 FEEDRO C[C@@H](CC#N)N(C)S(=O)(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000619749169 676393136 /nfs/dbraw/zinc/39/31/36/676393136.db2.gz NNTSIZDZPDKPHH-INIZCTEOSA-N 1 0 356.536 2.053 20 30 FEEDRO C=CCOc1c(Cl)cc(C[NH2+]C[C@H]2CN(C)CCN2C)cc1OC ZINC000623414032 676533885 /nfs/dbraw/zinc/53/38/85/676533885.db2.gz QVZVEFFEJUKDHF-HNNXBMFYSA-N 1 0 353.894 2.249 20 30 FEEDRO C=CCOc1c(Cl)cc(C[NH2+][C@H]2CCN(S(C)(=O)=O)C2)cc1OC ZINC000623559632 676540731 /nfs/dbraw/zinc/54/07/31/676540731.db2.gz IJOVSVZQCXQIDE-ZDUSSCGKSA-N 1 0 374.890 2.037 20 30 FEEDRO C=CCOc1ccc(C[NH2+]CCCN2CCC[C@H]2C(N)=O)cc1Cl ZINC000623618117 676543810 /nfs/dbraw/zinc/54/38/10/676543810.db2.gz DVJVXWGWCHUGDM-INIZCTEOSA-N 1 0 351.878 2.334 20 30 FEEDRO O[C@H](C[NH2+]CC#Cc1cccc(C(F)(F)F)c1)COC1CCOCC1 ZINC000644515380 677245021 /nfs/dbraw/zinc/24/50/21/677245021.db2.gz RSJOKGKJWHWLLN-MRXNPFEDSA-N 1 0 357.372 2.203 20 30 FEEDRO C=CCOCC[NH+]1CCN(Cc2nc3sc(C)c(C)c3c(=O)[nH]2)CC1 ZINC000645076304 677253105 /nfs/dbraw/zinc/25/31/05/677253105.db2.gz IDBMFSAEWYLALU-UHFFFAOYSA-N 1 0 362.499 2.334 20 30 FEEDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)Nc1cccc(C#Cc2cccs2)c1 ZINC000647493858 677302071 /nfs/dbraw/zinc/30/20/71/677302071.db2.gz CFVYLAVGDRKHIO-KGLIPLIRSA-N 1 0 355.463 2.328 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(C(F)F)nc2)CC1 ZINC000657627857 678018776 /nfs/dbraw/zinc/01/87/76/678018776.db2.gz VELRLJPFMCFLGE-UHFFFAOYSA-N 1 0 352.385 2.114 20 30 FEEDRO C#CCOc1ccc(Br)cc1C[NH2+]C[C@H]1CCCNC1=O ZINC000839196998 680744069 /nfs/dbraw/zinc/74/40/69/680744069.db2.gz ZCGQENAFMPQMLG-GFCCVEGCSA-N 1 0 351.244 2.077 20 30 FEEDRO C=CC[C@@H]1CCCN(C(=O)C(=O)N(CC[NH+](C)C)Cc2ccsc2)C1 ZINC000658752868 678123407 /nfs/dbraw/zinc/12/34/07/678123407.db2.gz RTCVUSFAFMKRIV-MRXNPFEDSA-N 1 0 363.527 2.453 20 30 FEEDRO C#CCN(Cc1ccc(C[NH+]2CCCCC2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000839516337 680758617 /nfs/dbraw/zinc/75/86/17/680758617.db2.gz IGJHMSVUFMUKJE-FQEVSTJZSA-N 1 0 360.523 2.295 20 30 FEEDRO C#CCN(Cc1ccc(C[NH+]2CCCCC2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000839516339 680758653 /nfs/dbraw/zinc/75/86/53/680758653.db2.gz IGJHMSVUFMUKJE-HXUWFJFHSA-N 1 0 360.523 2.295 20 30 FEEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N(CC(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000661118411 678437302 /nfs/dbraw/zinc/43/73/02/678437302.db2.gz DQZDLYCRJXDXIF-FGTMMUONSA-N 1 0 370.559 2.383 20 30 FEEDRO C=CC[C@H]1CCC[N@H+](CC(=O)N2CCN(C(=O)c3cccs3)CC2)C1 ZINC000661378726 678472734 /nfs/dbraw/zinc/47/27/34/678472734.db2.gz LFZQFNDUJOQISV-INIZCTEOSA-N 1 0 361.511 2.321 20 30 FEEDRO C=C(C[NH+](C)C)C(=O)N[C@H]1CCN(c2ccccc2Br)C1 ZINC000764506942 680812174 /nfs/dbraw/zinc/81/21/74/680812174.db2.gz HJAIFGZFKFGEON-ZDUSSCGKSA-N 1 0 352.276 2.262 20 30 FEEDRO C=C(C[NH+](C)C)C(=O)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000764666304 680818250 /nfs/dbraw/zinc/81/82/50/680818250.db2.gz NRWYCYRNMWWARK-CQSZACIVSA-N 1 0 356.253 2.333 20 30 FEEDRO C=C(C)Cn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CCS[C@H](C)C1 ZINC000669334357 679229851 /nfs/dbraw/zinc/22/98/51/679229851.db2.gz DEMFKMZPNCDIIO-OAGGEKHMSA-N 1 0 363.531 2.332 20 30 FEEDRO C=C(CNS(=O)(=O)c1c(C)nn(CC[NH+](C)C)c1C)c1ccccc1 ZINC000672423779 679375219 /nfs/dbraw/zinc/37/52/19/679375219.db2.gz UVBMGSCXCIVJEP-UHFFFAOYSA-N 1 0 362.499 2.053 20 30 FEEDRO C=CCCOCC(=O)NC1CC[NH+](CCOc2ccc(F)cc2)CC1 ZINC000674714731 679502511 /nfs/dbraw/zinc/50/25/11/679502511.db2.gz DYISHKNVIZKBST-UHFFFAOYSA-N 1 0 350.434 2.378 20 30 FEEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)Nc1nnc(SCc2ccccc2)s1 ZINC000841010992 680859401 /nfs/dbraw/zinc/85/94/01/680859401.db2.gz ZHZZFIMDGHRRJA-NEPJUHHUSA-N 1 0 360.468 2.063 20 30 FEEDRO C=C(Cl)C(C)(C)C(=O)N1CC[C@@H]2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC000974587165 679960793 /nfs/dbraw/zinc/96/07/93/679960793.db2.gz XTBHHZPWLRKGKO-ARFHVFGLSA-N 1 0 367.921 2.166 20 30 FEEDRO C#CCN(CC(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1)C(=O)OC(C)(C)C ZINC000831453447 679984727 /nfs/dbraw/zinc/98/47/27/679984727.db2.gz HFEIKCNZWZDTIR-HNNXBMFYSA-N 1 0 351.491 2.045 20 30 FEEDRO C=CCCC[C@@H]([NH3+])C(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000911920148 685282291 /nfs/dbraw/zinc/28/22/91/685282291.db2.gz VJXNWHNOOCOEDT-MRXNPFEDSA-N 1 0 351.472 2.093 20 30 FEEDRO CCc1nnc(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)s1 ZINC000911921496 685282943 /nfs/dbraw/zinc/28/29/43/685282943.db2.gz RJMXKVDCSPEVPW-UHFFFAOYSA-N 1 0 355.467 2.367 20 30 FEEDRO C=C(Cl)C(C)(C)C(=O)N1CCC[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000975322130 680030764 /nfs/dbraw/zinc/03/07/64/680030764.db2.gz VMLNBILBCPMCOY-FVQBIDKESA-N 1 0 369.937 2.460 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC12CC[NH+](CCc1ccns1)CC2 ZINC001016837209 680064905 /nfs/dbraw/zinc/06/49/05/680064905.db2.gz QHEBVCOFZONEPB-IXDOHACOSA-N 1 0 361.511 2.247 20 30 FEEDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNS(=O)(=O)c2cccc(F)c2C#N)C1 ZINC000751008436 680147370 /nfs/dbraw/zinc/14/73/70/680147370.db2.gz MYJOPGIEWVTCES-ZIAGYGMSSA-N 1 0 353.463 2.344 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1snnc1C ZINC001021385068 680152966 /nfs/dbraw/zinc/15/29/66/680152966.db2.gz MPPINDXUGSOWBQ-BMRXWSCTSA-N 1 0 362.499 2.049 20 30 FEEDRO C=C(Br)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccncc2)C1 ZINC001022102874 680196132 /nfs/dbraw/zinc/19/61/32/680196132.db2.gz AWXXOUYALYPKNR-LJISPDSOSA-N 1 0 350.260 2.331 20 30 FEEDRO C#CCN(CC(=O)NCC(C)(C)C[NH+]1CCCC1)C(=O)OC(C)(C)C ZINC000834368819 680218488 /nfs/dbraw/zinc/21/84/88/680218488.db2.gz LALYYNUOEPOQLJ-UHFFFAOYSA-N 1 0 351.491 2.095 20 30 FEEDRO CC[C@H](Cc1ccccc1Br)C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000834479619 680232953 /nfs/dbraw/zinc/23/29/53/680232953.db2.gz GXBPNXFJEBFABL-UXIGCNINSA-N 1 0 350.260 2.246 20 30 FEEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)CCCCOc1ccc(Br)cc1 ZINC000834485000 680233359 /nfs/dbraw/zinc/23/33/59/680233359.db2.gz QVCSMGWUGKJTBL-DOMZBBRYSA-N 1 0 366.259 2.226 20 30 FEEDRO COc1cc(C(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)cc(Cl)c1OCC(C)C ZINC000834499652 680235801 /nfs/dbraw/zinc/23/58/01/680235801.db2.gz KXJBHYNKXQHTRB-TZMCWYRMSA-N 1 0 351.834 2.225 20 30 FEEDRO CCOc1ccc(-c2nc(C)c(C(=O)N[C@H]3C[NH2+]C[C@@H]3C#N)s2)cc1 ZINC000834515896 680237164 /nfs/dbraw/zinc/23/71/64/680237164.db2.gz DCVKJMWPPIRDBX-ZFWWWQNUSA-N 1 0 356.451 2.359 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](CCc2ccns2)C1 ZINC001023376072 680257268 /nfs/dbraw/zinc/25/72/68/680257268.db2.gz VNTIIQVRBGVTTN-JQHSSLGASA-N 1 0 363.527 2.495 20 30 FEEDRO C=C(Br)CN1CCC[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001023378943 680257918 /nfs/dbraw/zinc/25/79/18/680257918.db2.gz FZRHVTYNFGDLNR-QLFBSQMISA-N 1 0 358.324 2.063 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](CCc2scnc2C)C1 ZINC001023599519 680265039 /nfs/dbraw/zinc/26/50/39/680265039.db2.gz MRPKBMQVJWBGEV-BBWFWOEESA-N 1 0 363.527 2.413 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+](CCc2ccns2)C1 ZINC001023643295 680268661 /nfs/dbraw/zinc/26/86/61/680268661.db2.gz TYWSUSCRPCVQBD-SZMVWBNQSA-N 1 0 363.527 2.495 20 30 FEEDRO CC(=NNC(=S)NCCC[NH+](C)C)c1nc(Br)cs1 ZINC000834956595 680284712 /nfs/dbraw/zinc/28/47/12/680284712.db2.gz AXSOQKDAKMUQIF-UHFFFAOYSA-N 1 0 364.338 2.045 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@]2(C)C[N@@H+](C[C@H](C)OC)C[C@]2(C)C1 ZINC000982642665 680283679 /nfs/dbraw/zinc/28/36/79/680283679.db2.gz SLSBOLAKBGAODC-VDWQKOAOSA-N 1 0 350.503 2.173 20 30 FEEDRO Ic1ccc(C=NNC2=[NH+][C@H]3CCCC[C@@H]3N2)cc1 ZINC000834965739 680285039 /nfs/dbraw/zinc/28/50/39/680285039.db2.gz HSXLKHYXFXREQC-STQMWFEESA-N 1 0 368.222 2.485 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCCC[N@@H+]1CC1CCOCC1 ZINC001024702483 680301507 /nfs/dbraw/zinc/30/15/07/680301507.db2.gz WLEUMXBAWLLXEY-QYZOEREBSA-N 1 0 350.503 2.365 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H]([NH2+]Cc2snnc2C)C(C)(C)C1 ZINC000996402509 680331605 /nfs/dbraw/zinc/33/16/05/680331605.db2.gz QJIAKBLLVJWMER-IMJJTQAJSA-N 1 0 364.515 2.154 20 30 FEEDRO C#CCOc1ccc(F)cc1NC(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000754446035 680356782 /nfs/dbraw/zinc/35/67/82/680356782.db2.gz ZLMWMOICYQKLDZ-KRWDZBQOSA-N 1 0 351.447 2.397 20 30 FEEDRO C=C(Cl)CN1CCC[C@H]1CNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001027888668 680361639 /nfs/dbraw/zinc/36/16/39/680361639.db2.gz WUHPPJOYGHUMMV-KSZLIROESA-N 1 0 369.937 2.066 20 30 FEEDRO C=C(Cl)C[NH2+]C1CC(N(C)C(=O)[C@@H]2CN(c3ccccn3)C[C@H]2C)C1 ZINC000998788894 680388870 /nfs/dbraw/zinc/38/88/70/680388870.db2.gz UZHWESALTRSLAK-LHUBUQBQSA-N 1 0 362.905 2.485 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](C)CNC(=O)OC(C)(C)C)CC1 ZINC000755250574 680406842 /nfs/dbraw/zinc/40/68/42/680406842.db2.gz PDQNLCDONYLHAU-AWEZNQCLSA-N 1 0 354.495 2.239 20 30 FEEDRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)C(F)(F)c1ccccc1C#N ZINC000912302302 685349377 /nfs/dbraw/zinc/34/93/77/685349377.db2.gz AROPAIOAWRHWTJ-AWEZNQCLSA-N 1 0 352.429 2.038 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](CCC2CCCC2)CCO1 ZINC001035541394 680450527 /nfs/dbraw/zinc/45/05/27/680450527.db2.gz HKBWAHFZTRQKCO-QYZOEREBSA-N 1 0 350.503 2.365 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1C[N@H+](CCCC2CCC2)CCO1 ZINC001035543857 680450568 /nfs/dbraw/zinc/45/05/68/680450568.db2.gz WTOPFBVCLBDTON-FHWLQOOXSA-N 1 0 350.503 2.365 20 30 FEEDRO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](Nc3snc(C)c3C#N)[C@@H]2C)CC[N@@H+]1C ZINC001040274680 680470383 /nfs/dbraw/zinc/47/03/83/680470383.db2.gz KNTYHJSFVCGXSN-DARAHFNDSA-N 1 0 361.515 2.455 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)NC[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000836488722 680476318 /nfs/dbraw/zinc/47/63/18/680476318.db2.gz MJADIKRMEAKAKJ-OAHLLOKOSA-N 1 0 358.269 2.281 20 30 FEEDRO CC[C@H](C(=O)N1CC[C@H]2CN(c3snc(Cl)c3C#N)C[C@H]21)[NH+](C)C ZINC001040671397 680482511 /nfs/dbraw/zinc/48/25/11/680482511.db2.gz PTYVDJAFDYKRQS-CYZMBNFOSA-N 1 0 367.906 2.045 20 30 FEEDRO C#CC[N@H+]1CCC[C@@H]1COC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC000756542377 680483898 /nfs/dbraw/zinc/48/38/98/680483898.db2.gz IBYKKVLAEPKYSR-RHSMWYFYSA-N 1 0 360.841 2.334 20 30 FEEDRO C#CCOc1ccc([C@@H](C)[NH2+]CC2CCN(S(=O)(=O)CC)CC2)cc1 ZINC000757703023 680532627 /nfs/dbraw/zinc/53/26/27/680532627.db2.gz FDXWCQZWUBTTAL-MRXNPFEDSA-N 1 0 364.511 2.411 20 30 FEEDRO C#CCN1CCC[C@H]1C(=O)N(C)C[C@@H](O)c1ccccc1Br ZINC000837155909 680560968 /nfs/dbraw/zinc/56/09/68/680560968.db2.gz QFAFGADYLAYGDU-JKSUJKDBSA-N 1 0 365.271 2.039 20 30 FEEDRO C#CCN1CCC[C@H]1C(=O)N(C)C[C@H](O)c1ccccc1Br ZINC000837155907 680561019 /nfs/dbraw/zinc/56/10/19/680561019.db2.gz QFAFGADYLAYGDU-HOTGVXAUSA-N 1 0 365.271 2.039 20 30 FEEDRO C=C(Cl)C(C)(C)C(=O)N1CC([C@H](C)NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001006180872 680597793 /nfs/dbraw/zinc/59/77/93/680597793.db2.gz AXEODEBTUMINQL-VBNZEHGJSA-N 1 0 369.937 2.459 20 30 FEEDRO CC[C@H](C(=O)N1CC[C@H]2CCN(c3snc(C)c3C#N)[C@H]2C1)[NH+](C)C ZINC001045073737 680620995 /nfs/dbraw/zinc/62/09/95/680620995.db2.gz SDRKQJGZPFDRDE-IMJJTQAJSA-N 1 0 361.515 2.091 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCC[C@@]2(CC[N@@H+](CCOC)C2)C1 ZINC001045938890 680641439 /nfs/dbraw/zinc/64/14/39/680641439.db2.gz NYTATTLOKHZKLM-HBFSDRIKSA-N 1 0 350.503 2.319 20 30 FEEDRO C=CCC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2C[C@H]2c2cncn2C)C1 ZINC001046973995 680655040 /nfs/dbraw/zinc/65/50/40/680655040.db2.gz BLICPHBNYYYKFV-RBSFLKMASA-N 1 0 352.429 2.173 20 30 FEEDRO CCOC(=O)c1c(CC)c(C)sc1NC(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000841157465 680866490 /nfs/dbraw/zinc/86/64/90/680866490.db2.gz WAMYHUMRVYGRJK-JQWIXIFHSA-N 1 0 350.444 2.029 20 30 FEEDRO CCOC(=O)c1c2ccccc2sc1NC(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000841159984 680866637 /nfs/dbraw/zinc/86/66/37/680866637.db2.gz OPFVWKCDZVQSHG-ZYHUDNBSSA-N 1 0 358.423 2.311 20 30 FEEDRO CCOC(=O)c1c2ccccc2sc1NC(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000841159982 680866662 /nfs/dbraw/zinc/86/66/62/680866662.db2.gz OPFVWKCDZVQSHG-JQWIXIFHSA-N 1 0 358.423 2.311 20 30 FEEDRO C=C(Br)CN1C(=O)N[C@]2(CC[N@H+](Cc3ccccc3)C2)C1=O ZINC000767154542 680900859 /nfs/dbraw/zinc/90/08/59/680900859.db2.gz SADHTPOOQWUCDD-INIZCTEOSA-N 1 0 364.243 2.092 20 30 FEEDRO COc1cc(C#N)ccc1S(=O)(=O)N1C[C@@H](CC[NH3+])c2ccccc21 ZINC000842796758 680967595 /nfs/dbraw/zinc/96/75/95/680967595.db2.gz JPPBODWIOBBOMB-CQSZACIVSA-N 1 0 357.435 2.208 20 30 FEEDRO C[C@@H](C[C@@H](O)c1cccs1)[NH2+]CCS(=O)(=O)c1cccc(C#N)c1 ZINC000843103450 680987975 /nfs/dbraw/zinc/98/79/75/680987975.db2.gz BGXAZRACMRXAMD-XJKSGUPXSA-N 1 0 364.492 2.495 20 30 FEEDRO N#Cc1ccc(OC[C@H](O)C[NH2+]C[C@@H](O)c2cc(F)cc(Cl)c2)cc1 ZINC000843111651 680988234 /nfs/dbraw/zinc/98/82/34/680988234.db2.gz LPQNNNWEHZEVEZ-SJLPKXTDSA-N 1 0 364.804 2.414 20 30 FEEDRO CC[NH+](CC)CC#C[C@@H](C)OC(=O)CCn1cc(Br)cn1 ZINC000770804430 681027821 /nfs/dbraw/zinc/02/78/21/681027821.db2.gz PCHWTDCMUWPIQR-CYBMUJFWSA-N 1 0 356.264 2.313 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+]CCC[C@@H]2CC2(Cl)Cl)nc1 ZINC000844277438 681047464 /nfs/dbraw/zinc/04/74/64/681047464.db2.gz LGVCLWJQKGZBTI-GFCCVEGCSA-N 1 0 362.282 2.291 20 30 FEEDRO C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)CCN1c1ncc(C#N)cc1Cl ZINC001050902602 681057265 /nfs/dbraw/zinc/05/72/65/681057265.db2.gz PTPGPBLFUQUEHT-KCXAZCMYSA-N 1 0 361.877 2.174 20 30 FEEDRO CCCC[C@@H](ON=C(C)C)C(=O)NC(C)(C)CC[NH+]1CCN(C)CC1 ZINC000771664897 681065433 /nfs/dbraw/zinc/06/54/33/681065433.db2.gz YZLLXYVBNGUGMU-QGZVFWFLSA-N 1 0 354.539 2.490 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@H](C[NH2+]Cc2cc(C)sc2C)C1 ZINC001051834861 681069634 /nfs/dbraw/zinc/06/96/34/681069634.db2.gz YNJFHXFGNWJRRB-KURKYZTESA-N 1 0 364.511 2.273 20 30 FEEDRO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](Nc3nc(Cl)c(C#N)s3)C2)CC[N@@H+]1C ZINC001056802804 681156831 /nfs/dbraw/zinc/15/68/31/681156831.db2.gz DOAJTCAVCDSKGC-GRYCIOLGSA-N 1 0 367.906 2.411 20 30 FEEDRO C[C@@H]1[C@H](C(=O)N2CCCN(c3nc(C#N)c(Cl)s3)CC2)CC[N@@H+]1C ZINC001057248269 681159751 /nfs/dbraw/zinc/15/97/51/681159751.db2.gz FEIHSUUUQCLCGJ-VXGBXAGGSA-N 1 0 367.906 2.047 20 30 FEEDRO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](Nc3nc(C#N)c(Cl)s3)C2)CC[N@@H+]1C ZINC001059443786 681180842 /nfs/dbraw/zinc/18/08/42/681180842.db2.gz NYPCQJQBFQPYBM-GWOFURMSSA-N 1 0 353.879 2.067 20 30 FEEDRO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](Nc3nc(Cl)c(C#N)s3)C2)CC[N@@H+]1C ZINC001059859218 681187215 /nfs/dbraw/zinc/18/72/15/681187215.db2.gz UDOPODPYWNFLJO-WHOHXGKFSA-N 1 0 367.906 2.458 20 30 FEEDRO CC[N@H+](C)Cc1cccc(CNc2ccc(S(N)(=O)=O)cc2C#N)c1 ZINC000774519325 681198231 /nfs/dbraw/zinc/19/82/31/681198231.db2.gz YLGXMEMAFHXKKY-UHFFFAOYSA-N 1 0 358.467 2.269 20 30 FEEDRO Cc1nsc(NC[C@H]2CCCCN2C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1C#N ZINC001060317316 681199717 /nfs/dbraw/zinc/19/97/17/681199717.db2.gz AMVFKKDVSGZMFI-RBSFLKMASA-N 1 0 361.515 2.456 20 30 FEEDRO C[NH+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CC[C@@H](CC#N)C1 ZINC000846239427 681209044 /nfs/dbraw/zinc/20/90/44/681209044.db2.gz WZWUGTYCPFYFPP-SOUVJXGZSA-N 1 0 352.479 2.030 20 30 FEEDRO C=CC1(CC(=O)NC[C@@H]2CCC[N@@H+](C)C2)CN(C(=O)OC(C)(C)C)C1 ZINC000932308831 681219545 /nfs/dbraw/zinc/21/95/45/681219545.db2.gz BRKRQFHDHJUYKV-HNNXBMFYSA-N 1 0 351.491 2.258 20 30 FEEDRO C[NH+](C)C[C@@H]1COC2(CCCC2)CN1C(=O)N[C@@H](CC#N)C(F)(F)F ZINC000932892346 681323630 /nfs/dbraw/zinc/32/36/30/681323630.db2.gz GYQFERHSSLXENI-OLZOCXBDSA-N 1 0 362.396 2.116 20 30 FEEDRO CS[C@H]1CN(C(=O)Cc2cccc(OCC#N)c2)C[C@H]1[NH+]1CCCC1 ZINC000776210239 681372565 /nfs/dbraw/zinc/37/25/65/681372565.db2.gz DBZLYBYQAQURQY-MSOLQXFVSA-N 1 0 359.495 2.170 20 30 FEEDRO C#CCC1([NH2+]CC(=O)Nc2ccccc2S(=O)(=O)C(F)F)CCC1 ZINC000933301416 681390529 /nfs/dbraw/zinc/39/05/29/681390529.db2.gz PVHNWLXIMXHADW-UHFFFAOYSA-N 1 0 356.394 2.157 20 30 FEEDRO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1C[C@@H]2CCC[C@]2(C(N)=O)C1 ZINC000933753884 681463684 /nfs/dbraw/zinc/46/36/84/681463684.db2.gz AQBYBJICWDTWFK-YNKQFZHNSA-N 1 0 360.845 2.126 20 30 FEEDRO CN(CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)Cc1cc(C#N)cs1 ZINC000933773252 681466586 /nfs/dbraw/zinc/46/65/86/681466586.db2.gz IDWZEWGLDZFTMI-SFHVURJKSA-N 1 0 356.495 2.471 20 30 FEEDRO C[NH+](C)CCCNC(=S)NN=C1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000848405212 681536742 /nfs/dbraw/zinc/53/67/42/681536742.db2.gz CVGYVCSYPLADHU-CYBMUJFWSA-N 1 0 371.551 2.226 20 30 FEEDRO N#Cc1ccc(Br)c(CN2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)c1 ZINC000934264931 681538596 /nfs/dbraw/zinc/53/85/96/681538596.db2.gz JSHIAZMMAJPFAX-IAGOWNOFSA-N 1 0 364.287 2.352 20 30 FEEDRO CCNC(NCc1ccc(S(C)(=O)=O)c(C(F)(F)F)c1)=[NH+]CC ZINC000849108938 681654319 /nfs/dbraw/zinc/65/43/19/681654319.db2.gz GKXYIQQDHRSAQO-UHFFFAOYSA-N 1 0 351.394 2.184 20 30 FEEDRO C[NH+]=C(NCc1nc(-c2cccc(Br)c2)no1)NC1CC1 ZINC000849110647 681655020 /nfs/dbraw/zinc/65/50/20/681655020.db2.gz MNZUAOAZTRHPPF-UHFFFAOYSA-N 1 0 350.220 2.327 20 30 FEEDRO C[NH+]=C(NCCN1CCOCC1)NCC1(Cc2cccc(Cl)c2)CC1 ZINC000849116884 681657905 /nfs/dbraw/zinc/65/79/05/681657905.db2.gz ZPBWEFLNJIFNTP-UHFFFAOYSA-N 1 0 364.921 2.160 20 30 FEEDRO C=CC1(CC(=O)N2CC[N@@H+](C)[C@@H](C)[C@@H]2C)CN(C(=O)OC(C)(C)C)C1 ZINC000935211448 681711003 /nfs/dbraw/zinc/71/10/03/681711003.db2.gz CLOZLRVMGVTSHM-GJZGRUSLSA-N 1 0 351.491 2.351 20 30 FEEDRO C[NH+](C)CCCOc1cnccc1CNC(=O)C1(C#N)CCSCC1 ZINC000936015015 681876874 /nfs/dbraw/zinc/87/68/74/681876874.db2.gz XZNLYOQPHHWSHE-UHFFFAOYSA-N 1 0 362.499 2.065 20 30 FEEDRO CCCC[C@@H](ON=C(C)C)C(=O)NC[C@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000780981550 681892526 /nfs/dbraw/zinc/89/25/26/681892526.db2.gz UVTCLGRVORGAHV-QZTJIDSGSA-N 1 0 354.539 2.346 20 30 FEEDRO C=C(Cl)C[NH+]1CCC2(CCN(C(=O)[C@H]3OCCO[C@H]3C)CC2)CC1 ZINC000957561167 681907600 /nfs/dbraw/zinc/90/76/00/681907600.db2.gz HOUXVBMQLNXNMA-HOTGVXAUSA-N 1 0 356.894 2.247 20 30 FEEDRO C[C@H]([NH2+]C[C@H](O)c1ccc(C#N)cc1)c1cccc(NS(C)(=O)=O)c1 ZINC000781910885 681988190 /nfs/dbraw/zinc/98/81/90/681988190.db2.gz OXJYFDGQNQOFFE-UGSOOPFHSA-N 1 0 359.451 2.314 20 30 FEEDRO C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C(C)(C)C1 ZINC000940840297 682084389 /nfs/dbraw/zinc/08/43/89/682084389.db2.gz UOAHSGNSCAJLRC-MJBXVCDLSA-N 1 0 364.408 2.126 20 30 FEEDRO COc1ccc(NC(=S)NN=Cc2ccc(N(C)CCO)cc2)cc1 ZINC000915925548 685519651 /nfs/dbraw/zinc/51/96/51/685519651.db2.gz OOCFBTUROQMXDN-UHFFFAOYSA-N 1 0 358.467 2.444 20 30 FEEDRO C=C(Br)C[NH2+]C1CCC(N(C)C(=O)[C@]23C[C@H]2COC3)CC1 ZINC000963344766 682139022 /nfs/dbraw/zinc/13/90/22/682139022.db2.gz UOMCNAPPVSLCAO-USPMSXPRSA-N 1 0 357.292 2.291 20 30 FEEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCCO[C@@H]1CCOC1 ZINC000916410439 685524352 /nfs/dbraw/zinc/52/43/52/685524352.db2.gz UZNQPIYGRICEIN-MRXNPFEDSA-N 1 0 366.531 2.390 20 30 FEEDRO C#CCOCC[NH2+][C@@](C)(CC(=O)OC)c1ccc(Br)cc1 ZINC000852045686 682209336 /nfs/dbraw/zinc/20/93/36/682209336.db2.gz YNRMNEZJZKRYHL-INIZCTEOSA-N 1 0 354.244 2.467 20 30 FEEDRO C#C[C@@](C)(CC)[NH2+]CC(=O)Nc1cccc(S(=O)(=O)N(CC)CC)c1 ZINC000852099556 682219853 /nfs/dbraw/zinc/21/98/53/682219853.db2.gz BVENNOYOXADQQI-SFHVURJKSA-N 1 0 365.499 2.047 20 30 FEEDRO N#Cc1c(NC[C@@H](c2ccco2)[NH+]2CCCC2)cccc1S(N)(=O)=O ZINC000784553789 682237499 /nfs/dbraw/zinc/23/74/99/682237499.db2.gz DHBXGGJCRWSBRY-HNNXBMFYSA-N 1 0 360.439 2.048 20 30 FEEDRO C[N@H+]1C[C@]2(C)CN(S(=O)(=O)c3ccc(Cl)cc3C#N)C[C@]2(C)C1 ZINC000918351682 685538612 /nfs/dbraw/zinc/53/86/12/685538612.db2.gz MBVBGNFSQQQXHA-IYBDPMFKSA-N 1 0 353.875 2.174 20 30 FEEDRO S=C1N=NC([C@@H]2CCCCO2)N1N=Cc1ccnn1-c1cc[nH+]cc1 ZINC000853312798 682404711 /nfs/dbraw/zinc/40/47/11/682404711.db2.gz HFSSXXWCNJWWTE-AWEZNQCLSA-N 1 0 355.427 2.271 20 30 FEEDRO N#Cc1ncc(Br)cc1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000853570118 682435762 /nfs/dbraw/zinc/43/57/62/682435762.db2.gz LCRXVQLCXNPIPX-ZDUSSCGKSA-N 1 0 365.275 2.264 20 30 FEEDRO C[N@H+](CCOCC(F)(F)C(F)(F)F)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000787239097 682444037 /nfs/dbraw/zinc/44/40/37/682444037.db2.gz HXRZGBIQNMZNHT-QMMMGPOBSA-N 1 0 372.256 2.296 20 30 FEEDRO CC[NH+]1CCN([C@@H](C)CNc2cc(Br)cnc2C#N)CC1 ZINC000787898117 682488491 /nfs/dbraw/zinc/48/84/91/682488491.db2.gz XIDZHLJSBYZOGK-LBPRGKRZSA-N 1 0 352.280 2.154 20 30 FEEDRO C#CCN(CC(=O)OC(C)(C)C)C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000853991423 682500234 /nfs/dbraw/zinc/50/02/34/682500234.db2.gz PNYGJFXBKNFPRI-UHFFFAOYSA-N 1 0 351.491 2.095 20 30 FEEDRO C=CC[C@@]1(C(=O)N2CC(C[NH+](C)C)C2)CCCN1C(=O)OC(C)(C)C ZINC000854724309 682585995 /nfs/dbraw/zinc/58/59/95/682585995.db2.gz PODXYQYPGNEIHX-IBGZPJMESA-N 1 0 351.491 2.352 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)NC[C@H](O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000856133133 682745001 /nfs/dbraw/zinc/74/50/01/682745001.db2.gz ODNZJLMPQXVFFW-INIZCTEOSA-N 1 0 355.265 2.488 20 30 FEEDRO C=CCCS(=O)(=O)N1CC[C@@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1 ZINC000856549057 682792782 /nfs/dbraw/zinc/79/27/82/682792782.db2.gz KBQKMAWVENVDGI-GOSISDBHSA-N 1 0 367.515 2.281 20 30 FEEDRO C=C(C[NH+](C)C)C(=O)Nc1cc(C)c(F)cc1C(=O)NCC(F)(F)F ZINC000793999657 682924976 /nfs/dbraw/zinc/92/49/76/682924976.db2.gz AAZWKVMGRHTPMI-UHFFFAOYSA-N 1 0 361.339 2.483 20 30 FEEDRO CCN(CC)c1ccc(/C=[NH+]/C[C@@H]2CCCCN2S(C)(=O)=O)c(O)c1 ZINC000794676330 682989239 /nfs/dbraw/zinc/98/92/39/682989239.db2.gz MTFWERSWBCWESI-AMRJIULGSA-N 1 0 367.515 2.471 20 30 FEEDRO C=CCS(=O)(=O)CC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C12CCCC2 ZINC000926127317 683079945 /nfs/dbraw/zinc/07/99/45/683079945.db2.gz WXISLUTXKMRKAF-OAHLLOKOSA-N 1 0 372.531 2.499 20 30 FEEDRO C=C[C@](C)(CCOC)C(=O)N[C@@H]1C[C@@]2(C[N@@H+](CC)[C@H]2C(C)C)C[C@H]1O ZINC000926245390 683097160 /nfs/dbraw/zinc/09/71/60/683097160.db2.gz ULWSQGZZCPOFQM-VROUVPMXSA-N 1 0 352.519 2.201 20 30 FEEDRO CON(C)CC[NH2+][C@H](C)CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1 ZINC000926671761 683160815 /nfs/dbraw/zinc/16/08/15/683160815.db2.gz CJIITTIELJCVMJ-OAHLLOKOSA-N 1 0 354.495 2.389 20 30 FEEDRO C#CCCCCC(=O)NCC[NH+]1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000927843289 683321965 /nfs/dbraw/zinc/32/19/65/683321965.db2.gz XDXCODOQZJYVKQ-UHFFFAOYSA-N 1 0 351.491 2.285 20 30 FEEDRO CCN1CC[NH+](C[C@@H](C)CNc2cc(Br)cnc2C#N)CC1 ZINC000798216939 683322163 /nfs/dbraw/zinc/32/21/63/683322163.db2.gz LLAVBKKGPIRHGL-ZDUSSCGKSA-N 1 0 366.307 2.401 20 30 FEEDRO N#CCn1c(C(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@H]23)cc2ccccc21 ZINC000928100839 683392327 /nfs/dbraw/zinc/39/23/27/683392327.db2.gz UUHPSMHIBRUJRF-CRAIPNDOSA-N 1 0 354.479 2.474 20 30 FEEDRO C=CCN1CC[C@H]([N@@H+]2CCC[C@H](CCNC(=O)OC(C)(C)C)C2)C1=O ZINC000799358874 683448165 /nfs/dbraw/zinc/44/81/65/683448165.db2.gz OGAFAKJKMJXFBT-CVEARBPZSA-N 1 0 351.491 2.400 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ncc(Cl)cc2CC)CC1 ZINC000861740670 683463729 /nfs/dbraw/zinc/46/37/29/683463729.db2.gz BSRLRCBAEJDEGC-UHFFFAOYSA-N 1 0 364.877 2.393 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)Cc2c(F)ccc(Br)c2F)CC1 ZINC000928653374 683481976 /nfs/dbraw/zinc/48/19/76/683481976.db2.gz KJVRLXRPFKVGJC-UHFFFAOYSA-N 1 0 371.225 2.484 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)Cc2cn3cc(Cl)cc(Cl)c3n2)CC1 ZINC000928657917 683482849 /nfs/dbraw/zinc/48/28/49/683482849.db2.gz DXNRMRAEMMWGTO-UHFFFAOYSA-N 1 0 365.264 2.397 20 30 FEEDRO CC[N@@H+]1CCC[C@@H]1CNC(=S)N1CCC(C#N)(c2ccccn2)CC1 ZINC000799899787 683506052 /nfs/dbraw/zinc/50/60/52/683506052.db2.gz FTCZMMRXXKQBOH-MRXNPFEDSA-N 1 0 357.527 2.298 20 30 FEEDRO C=C(C)CS(=O)(=O)NCC1([N@H+](C)Cc2ccccc2)CCOCC1 ZINC000921631484 683526252 /nfs/dbraw/zinc/52/62/52/683526252.db2.gz IJJUKHPLQQUNFG-UHFFFAOYSA-N 1 0 352.500 2.163 20 30 FEEDRO C[NH+]1CCC(OCC(=O)N[C@@H](C#N)c2ccc(Br)cc2)CC1 ZINC000929896151 683652883 /nfs/dbraw/zinc/65/28/83/683652883.db2.gz YJIKZXZMEOURHC-HNNXBMFYSA-N 1 0 366.259 2.241 20 30 FEEDRO C#Cc1ccc(NC(=O)CC[N@@H+](CCCC)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000929971246 683663286 /nfs/dbraw/zinc/66/32/86/683663286.db2.gz OCRKQCABTGSVNE-SFHVURJKSA-N 1 0 362.495 2.286 20 30 FEEDRO C#Cc1ccc(NC(=O)CC[N@@H+](C)[C@H]2CCCC[C@H]2S(C)(=O)=O)cc1 ZINC000930000617 683667231 /nfs/dbraw/zinc/66/72/31/683667231.db2.gz NCCGKUBIBJYILY-ZWKOTPCHSA-N 1 0 362.495 2.284 20 30 FEEDRO C[C@](O)(C[N@@H+]1CC[C@H](C(F)(F)F)[C@H](CO)C1)C(F)(F)C(F)(F)F ZINC000930452036 683736535 /nfs/dbraw/zinc/73/65/35/683736535.db2.gz FZLRIMHBQGOODK-CIUDSAMLSA-N 1 0 359.257 2.428 20 30 FEEDRO C#CC[C@H](CCOC)[NH2+]C[C@@H](O)COc1cccc(Br)c1 ZINC000863589640 683746831 /nfs/dbraw/zinc/74/68/31/683746831.db2.gz SZOLEZZLOYTGEM-HUUCEWRRSA-N 1 0 356.260 2.207 20 30 FEEDRO C#CC[C@@H](CCOC)[NH2+]C[C@@H](O)COc1cccc(Br)c1 ZINC000863589641 683747185 /nfs/dbraw/zinc/74/71/85/683747185.db2.gz SZOLEZZLOYTGEM-LSDHHAIUSA-N 1 0 356.260 2.207 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)NCc2ccc(OC(F)F)c(F)c2)CC1 ZINC000922625900 683757794 /nfs/dbraw/zinc/75/77/94/683757794.db2.gz GNZBLQBIVSMQCC-UHFFFAOYSA-N 1 0 355.360 2.324 20 30 FEEDRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)c2sccc2CC#N)CC1 ZINC000865078504 683932631 /nfs/dbraw/zinc/93/26/31/683932631.db2.gz RATJQYRZHBBCPR-HOTGVXAUSA-N 1 0 360.527 2.445 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)cc1C(F)(F)F ZINC000866826969 684162406 /nfs/dbraw/zinc/16/24/06/684162406.db2.gz GAYYEDWKVYOPHA-KGLIPLIRSA-N 1 0 359.373 2.092 20 30 FEEDRO C[C@@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)CC[C@@H]1C[NH3+] ZINC000923704849 684336181 /nfs/dbraw/zinc/33/61/81/684336181.db2.gz UYKQCUARVQXVSF-GHMZBOCLSA-N 1 0 361.389 2.182 20 30 FEEDRO C[N@@H+]1CC[C@H]2CN(S(=O)(=O)c3ccc(C(F)(F)F)c(C#N)c3)CC[C@H]21 ZINC000867806608 684393786 /nfs/dbraw/zinc/39/37/86/684393786.db2.gz GXSUNPWZOUGVQJ-XHDPSFHLSA-N 1 0 373.400 2.292 20 30 FEEDRO Cc1ncc(S(=O)(=O)N(CC(C)C)CC2CC[NH+](C)CC2)cc1C#N ZINC000867864392 684413406 /nfs/dbraw/zinc/41/34/06/684413406.db2.gz YAIJLOBVIOQVGB-UHFFFAOYSA-N 1 0 364.515 2.250 20 30 FEEDRO COCCC1(NC(=O)Nc2ccc(F)cc2OCC#N)CC[NH2+]CC1 ZINC000868133690 684455534 /nfs/dbraw/zinc/45/55/34/684455534.db2.gz XUJOWPXAZCGHNB-UHFFFAOYSA-N 1 0 350.394 2.008 20 30 FEEDRO CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000868311426 684479156 /nfs/dbraw/zinc/47/91/56/684479156.db2.gz SWTMVWYXWWOIKV-SFHVURJKSA-N 1 0 362.861 2.374 20 30 FEEDRO CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)C(=O)Nc2cc(C#N)ccc2Cl)C1 ZINC000868312388 684479528 /nfs/dbraw/zinc/47/95/28/684479528.db2.gz QIXOVJDHNWZBNZ-SFHVURJKSA-N 1 0 362.861 2.374 20 30 FEEDRO C=CCOc1ccccc1C[NH2+][C@@H](C)C1CCN(S(C)(=O)=O)CC1 ZINC000925026141 684517787 /nfs/dbraw/zinc/51/77/87/684517787.db2.gz DCVJWTLFJRTMFN-HNNXBMFYSA-N 1 0 352.500 2.401 20 30 FEEDRO C=C(Cl)C[C@H](NC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1)C(=O)OCC ZINC000870034240 684678201 /nfs/dbraw/zinc/67/82/01/684678201.db2.gz ZZXOVDJDFHLAJQ-CABCVRRESA-N 1 0 374.934 2.394 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+]CCSCCC(F)(F)F)nc1 ZINC000872231976 684929830 /nfs/dbraw/zinc/92/98/30/684929830.db2.gz VYQKKPXXKRPDOK-UHFFFAOYSA-N 1 0 367.418 2.002 20 30 FEEDRO Cc1cccc(C#N)c1S(=O)(=O)N(CC[NH+](C)C)Cc1ccccn1 ZINC000872447341 684950901 /nfs/dbraw/zinc/95/09/01/684950901.db2.gz KPJKKUXDQGQBIJ-UHFFFAOYSA-N 1 0 358.467 2.014 20 30 FEEDRO CC(C)CN(CC1CC[NH+](C)CC1)Cn1nc(CC#N)n(C)c1=S ZINC000872744126 685011787 /nfs/dbraw/zinc/01/17/87/685011787.db2.gz OWBNOGPWIYLLRS-UHFFFAOYSA-N 1 0 350.536 2.274 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC(C(=O)Nc2ccccc2OC)CC1 ZINC000876602562 686226314 /nfs/dbraw/zinc/22/63/14/686226314.db2.gz BQKAQUQMDVBASP-AWEZNQCLSA-N 1 0 365.861 2.342 20 30 FEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1nc(CN2C[C@@H](C)O[C@@H](C)C2)cs1 ZINC000876716971 686252005 /nfs/dbraw/zinc/25/20/05/686252005.db2.gz RTUUHYGDZRPJGL-NTZNESFSSA-N 1 0 358.895 2.161 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NC1(c2noc(CN(CC)CC)n2)CCCC1 ZINC000876737686 686257386 /nfs/dbraw/zinc/25/73/86/686257386.db2.gz UGIXKPGAXYUWRO-ZDUSSCGKSA-N 1 0 369.897 2.267 20 30 FEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@@H]1CCN(c2ccc(Cl)cc2F)C1=O ZINC000877037910 686315876 /nfs/dbraw/zinc/31/58/76/686315876.db2.gz ZANMZYGHJZRIBM-VXGBXAGGSA-N 1 0 360.216 2.171 20 30 FEEDRO C=C(Cl)C[C@@H](NC(=O)c1csc(C2CC[NH2+]CC2)n1)C(=O)OCC ZINC000877144716 686331925 /nfs/dbraw/zinc/33/19/25/686331925.db2.gz TWCGTMKQDXTSCZ-GFCCVEGCSA-N 1 0 371.890 2.414 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H]1COc2cccc(Br)c2C1 ZINC000877259659 686344136 /nfs/dbraw/zinc/34/41/36/686344136.db2.gz WCUBTELWEROZMD-CABZTGNLSA-N 1 0 359.651 2.339 20 30 FEEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]CCS(=O)(=O)CCc1ccccc1 ZINC000877501402 686392364 /nfs/dbraw/zinc/39/23/64/686392364.db2.gz OOFDQFXFEQRZNT-QGZVFWFLSA-N 1 0 364.511 2.332 20 30 FEEDRO N#Cc1ccc(NC(=O)CC[NH+]2CCC([C@H](F)C(N)=O)CC2)cc1Cl ZINC000879043519 686723123 /nfs/dbraw/zinc/72/31/23/686723123.db2.gz DOEPNRHXDQMLPO-INIZCTEOSA-N 1 0 366.824 2.076 20 30 FEEDRO N#Cc1cnc(N2CCC(CO)([NH2+]CC3CC3)CC2)c(Br)c1 ZINC000882435454 687366744 /nfs/dbraw/zinc/36/67/44/687366744.db2.gz DUEDZPXRRAECOY-UHFFFAOYSA-N 1 0 365.275 2.047 20 30 FEEDRO CC1([NH+]2CCC2)CCN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)CC1 ZINC000882769297 687480698 /nfs/dbraw/zinc/48/06/98/687480698.db2.gz PUVZFGLSKUJBNW-UHFFFAOYSA-N 1 0 353.875 2.461 20 30 FEEDRO C[NH+](C)C1CCN(C(=O)Nc2ccc(Br)c(C#N)n2)CC1 ZINC000883078110 687558024 /nfs/dbraw/zinc/55/80/24/687558024.db2.gz HQYONCVIVOZUSE-UHFFFAOYSA-N 1 0 352.236 2.274 20 30 FEEDRO CC[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc(Br)c(C#N)n2)C1 ZINC000883079968 687558709 /nfs/dbraw/zinc/55/87/09/687558709.db2.gz LQVKJUZEXOLMOP-JTQLQIEISA-N 1 0 352.236 2.179 20 30 FEEDRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)Nc1ccc(Br)c(C#N)n1 ZINC000883099700 687565002 /nfs/dbraw/zinc/56/50/02/687565002.db2.gz DGVSFELTJDGOBZ-NXEZZACHSA-N 1 0 352.236 2.272 20 30 FEEDRO C=CCC[C@H](COc1ccccc1)[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000883207769 687587644 /nfs/dbraw/zinc/58/76/44/687587644.db2.gz SJOOYBJWJRDZTA-IAGOWNOFSA-N 1 0 352.500 2.271 20 30 FEEDRO C=CCC[C@@H]([NH2+]CCc1ccc(S(=O)(=O)NC)cc1)[C@@H]1CCCO1 ZINC000883242424 687592921 /nfs/dbraw/zinc/59/29/21/687592921.db2.gz HCAWNKMNKASLKJ-MSOLQXFVSA-N 1 0 352.500 2.241 20 30 FEEDRO COc1ccc(C[NH2+]CC[C@@H]2CCCS2(=O)=O)cc1OCCCC#N ZINC000883300290 687603385 /nfs/dbraw/zinc/60/33/85/687603385.db2.gz SSMUHIPCHDOGTK-INIZCTEOSA-N 1 0 366.483 2.435 20 30 FEEDRO N#Cc1ccc(NCC(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)nc1 ZINC000498075359 687745321 /nfs/dbraw/zinc/74/53/21/687745321.db2.gz XRDFZYQEKVNFAN-HNNXBMFYSA-N 1 0 355.467 2.380 20 30 FEEDRO COCCOc1ccc(NC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)cc1Cl ZINC000884096860 687788022 /nfs/dbraw/zinc/78/80/22/687788022.db2.gz KSWYMWIKONCPOG-YNAXMUEKSA-N 1 0 363.845 2.443 20 30 FEEDRO N#C[C@@H]1C[NH2+]CC12CC(C(=O)N1CCO[C@@H](c3ccccc3Cl)C1)C2 ZINC000884124942 687795319 /nfs/dbraw/zinc/79/53/19/687795319.db2.gz LQXAFODLCFSXNE-VSOMRHIXSA-N 1 0 359.857 2.379 20 30 FEEDRO N#C[C@H]1C[NH2+]CC12CC(C(=O)N1CCc3cccc(Br)c3C1)C2 ZINC000884142895 687799586 /nfs/dbraw/zinc/79/95/86/687799586.db2.gz OIHJBTYDMZLGKE-FVRSWCFKSA-N 1 0 374.282 2.473 20 30 FEEDRO C[C@@H](c1ccsc1)N1CCN(C(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)CC1 ZINC000884320949 687847588 /nfs/dbraw/zinc/84/75/88/687847588.db2.gz BGJSBNHCLFKLHO-JGWYNZBZSA-N 1 0 358.511 2.093 20 30 FEEDRO N#C[C@@H]1C[NH2+]CC12CC(C(=O)NC[C@H](OC1CCCC1)C(F)(F)F)C2 ZINC000884400569 687863792 /nfs/dbraw/zinc/86/37/92/687863792.db2.gz LZVWUAJDAPPOJK-BXJLINQZSA-N 1 0 359.392 2.132 20 30 FEEDRO CCCCCCCCNC(=O)C(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000884667903 687902117 /nfs/dbraw/zinc/90/21/17/687902117.db2.gz BNXGZIJMPSCWDM-STQMWFEESA-N 1 0 351.413 2.059 20 30 FEEDRO Cc1cc(S(=O)(=O)N2CCN(c3cc[nH+]cc3)C[C@@H]2C)ccc1C#N ZINC000885848064 688167875 /nfs/dbraw/zinc/16/78/75/688167875.db2.gz OJAZIYSEAIRTDP-HNNXBMFYSA-N 1 0 356.451 2.161 20 30 FEEDRO C[C@H]([NH2+]C[C@@H](O)CC1(C#N)CCC1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000886109642 688204396 /nfs/dbraw/zinc/20/43/96/688204396.db2.gz PAGFSEUOYCAHPV-HOCLYGCPSA-N 1 0 365.499 2.032 20 30 FEEDRO C#CCN1CCC[C@H]([NH2+][C@@H](C)c2ccc(S(=O)(=O)C(F)F)cc2)C1 ZINC000886660657 688287433 /nfs/dbraw/zinc/28/74/33/688287433.db2.gz CDDAZDRHDSVLOH-ZFWWWQNUSA-N 1 0 356.438 2.431 20 30 FEEDRO C=CCC1(O)CC[NH+](CCC(=O)Nc2ccc(C(N)=O)c(Cl)c2)CC1 ZINC000886774807 688307519 /nfs/dbraw/zinc/30/75/19/688307519.db2.gz WFMBUOIQCFVYDV-UHFFFAOYSA-N 1 0 365.861 2.171 20 30 FEEDRO N#CCCc1ccc(S(=O)(=O)NCc2cccc3c2CC[NH2+]C3)cc1 ZINC000886889125 688333547 /nfs/dbraw/zinc/33/35/47/688333547.db2.gz HEXQHHLDACMNJE-UHFFFAOYSA-N 1 0 355.463 2.267 20 30 FEEDRO N#CCCCOc1cccnc1NC(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC000886944511 688343755 /nfs/dbraw/zinc/34/37/55/688343755.db2.gz RJIOJGIGQXWNAL-GFCCVEGCSA-N 1 0 353.373 2.130 20 30 FEEDRO CCN(C(=O)C(=O)Nc1ccccc1SC[C@@H](C)C#N)[C@H]1CC[NH2+]C1 ZINC000886997503 688352517 /nfs/dbraw/zinc/35/25/17/688352517.db2.gz NLHAWCONFJTOCY-KBPBESRZSA-N 1 0 360.483 2.087 20 30 FEEDRO CC(C)[C@@H](CNC(=O)Nc1nc(Cl)c(C#N)s1)[NH+]1CCN(C)CC1 ZINC000888406914 688605548 /nfs/dbraw/zinc/60/55/48/688605548.db2.gz MKOHTWUKFQZSED-LLVKDONJSA-N 1 0 370.910 2.062 20 30 FEEDRO C[C@@H]1C[NH+](CCCNC(=O)Nc2nc(Cl)c(C#N)s2)C[C@@H](C)O1 ZINC000888406766 688605635 /nfs/dbraw/zinc/60/56/35/688605635.db2.gz HYXPCZKKEVCIOU-NXEZZACHSA-N 1 0 357.867 2.289 20 30 FEEDRO N#Cc1sc(NC(=O)NCC2([NH+]3CCCC3)CCOCC2)nc1Cl ZINC000888411163 688606721 /nfs/dbraw/zinc/60/67/21/688606721.db2.gz OLPKSJWFLMYBLK-UHFFFAOYSA-N 1 0 369.878 2.435 20 30 FEEDRO N#Cc1sc(NC(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)nc1Cl ZINC000888412624 688607172 /nfs/dbraw/zinc/60/71/72/688607172.db2.gz PCXWRGRNQBAAAA-NSHDSACASA-N 1 0 369.878 2.433 20 30 FEEDRO CCN1CC[NH+](C[C@@H](C)CNC(=O)N(C)Cc2cc(C#N)cs2)CC1 ZINC000893239156 689318993 /nfs/dbraw/zinc/31/89/93/689318993.db2.gz SJNFSOPFLHMIPN-HNNXBMFYSA-N 1 0 363.531 2.035 20 30 FEEDRO C#CCC1(O)CC[NH+](C[C@@H]2COC(C)(C)N2C(=O)OC(C)(C)C)CC1 ZINC000895670850 689752310 /nfs/dbraw/zinc/75/23/10/689752310.db2.gz WNPMHFRXSMGPBO-OAHLLOKOSA-N 1 0 352.475 2.209 20 30 FEEDRO CCO/C=C\[C@@](O)(C[NH2+]Cc1cnc2ccc(C#N)cn12)C(F)(F)F ZINC000895708970 689758113 /nfs/dbraw/zinc/75/81/13/689758113.db2.gz WUTLAVCDPQVRMX-IYKSTZQJSA-N 1 0 354.332 2.139 20 30 FEEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCS(=O)(=O)C3(CC(C(=O)OC)C3)C2)C1 ZINC000898486657 690191209 /nfs/dbraw/zinc/19/12/09/690191209.db2.gz FHTCGSVYGNQYIW-XTCFQUFBSA-N 1 0 355.500 2.220 20 30 FEEDRO N#Cc1ccc2ncc(C[NH2+][C@H]3CCc4ncc(Br)n4C3)n2c1 ZINC000898723927 690238017 /nfs/dbraw/zinc/23/80/17/690238017.db2.gz KGMJZELXUVVFCK-LBPRGKRZSA-N 1 0 371.242 2.270 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)N(CCC(=O)OC)Cc1ccc(F)c(F)c1 ZINC000900657021 690544046 /nfs/dbraw/zinc/54/40/46/690544046.db2.gz YINDCJHGSVZDDF-UHFFFAOYSA-N 1 0 354.397 2.364 20 30 FEEDRO C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@@H]1CCc2ncc(Br)n2C1 ZINC000901727205 690685243 /nfs/dbraw/zinc/68/52/43/690685243.db2.gz DPZGLBDTBQXMSB-QWHCGFSZSA-N 1 0 367.291 2.139 20 30 FEEDRO C[C@H]1CCCN(S(=O)(=O)c2ccc(Br)c(C#N)c2)[C@@H]1C[NH3+] ZINC000903485671 690898905 /nfs/dbraw/zinc/89/89/05/690898905.db2.gz CZQMUGCVPFMKEE-IINYFYTJSA-N 1 0 372.288 2.069 20 30 FEEDRO N#Cc1ccc(-c2cccc(C[NH2+]C[C@@H](O)C3(O)CCOCC3)c2)s1 ZINC000905137648 691072725 /nfs/dbraw/zinc/07/27/25/691072725.db2.gz SYIBDPQYWWVOBF-GOSISDBHSA-N 1 0 358.463 2.279 20 30 FEEDRO C[C@](O)(C[NH2+]CCOCC(F)(F)C(F)F)C(F)(F)C(F)(F)F ZINC000905232349 691086515 /nfs/dbraw/zinc/08/65/15/691086515.db2.gz NXLTUZLIXQKTCN-ZETCQYMHSA-N 1 0 351.209 2.442 20 30 FEEDRO C[C@]1(C[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)CCOC2(CCC2)C1 ZINC000905494616 691125801 /nfs/dbraw/zinc/12/58/01/691125801.db2.gz ZFDWVGBTMDNHDY-KRWDZBQOSA-N 1 0 363.483 2.056 20 30 FEEDRO C[NH+]1CCC2(CCN2S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)CC1 ZINC000907854158 691570637 /nfs/dbraw/zinc/57/06/37/691570637.db2.gz UNKSGBJFZQJAES-UHFFFAOYSA-N 1 0 373.400 2.436 20 30 FEEDRO N#Cc1c(Cl)c2cc(F)c(F)cc2nc1N1CCN2CC[NH2+]C[C@@H]2C1 ZINC001164399960 718844493 /nfs/dbraw/zinc/84/44/93/718844493.db2.gz LVRHEQFOSAXGRQ-SNVBAGLBSA-N 1 0 363.799 2.132 20 30 FEEDRO CCOC(=O)c1cc(C#N)c(Cl)nc1C(F)(F)N1CCC[C@H]2[NH2+]C[C@@H]21 ZINC001164450501 718998085 /nfs/dbraw/zinc/99/80/85/718998085.db2.gz XLHZGOUENWRZGY-NEPJUHHUSA-N 1 0 370.787 2.269 20 30 FEEDRO Cc1cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc(C#N)n1 ZINC001164837372 720555670 /nfs/dbraw/zinc/55/56/70/720555670.db2.gz MCBWXZKHLRHNKY-KZNAEPCWSA-N 1 0 365.485 2.231 20 30 FEEDRO Cc1nc(Cl)nc(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)c1C#N ZINC001164730384 720564764 /nfs/dbraw/zinc/56/47/64/720564764.db2.gz VETMKROQNZCEAN-UHFFFAOYSA-N 1 0 371.876 2.165 20 30 FEEDRO N#Cc1cnc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c(Cl)c1 ZINC001164870026 721052227 /nfs/dbraw/zinc/05/22/27/721052227.db2.gz VHTDWUQXGDLERV-SJORKVTESA-N 1 0 369.856 2.481 20 30 FEEDRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ncnc5ccc(C#N)cc54)C[C@H]3C2)cn1 ZINC001164761055 721091078 /nfs/dbraw/zinc/09/10/78/721091078.db2.gz ALNHMURJKAABKW-ZWKOTPCHSA-N 1 0 373.464 2.193 20 30 FEEDRO Cc1cc(C#N)c(N2C[C@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)nc1C ZINC001164764238 721112562 /nfs/dbraw/zinc/11/25/62/721112562.db2.gz HLRLWWOUKOROGR-IEBWSBKVSA-N 1 0 350.470 2.262 20 30 FEEDRO Cc1ccc(CC#N)c(N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@H]3C2)n1 ZINC001164763210 721209678 /nfs/dbraw/zinc/20/96/78/721209678.db2.gz DSLSEUPYYNSKMR-OALUTQOASA-N 1 0 350.470 2.148 20 30 FEEDRO Cc1nc(N2C[C@@H]3C[N@H+](Cc4cnn(C)c4)CC[C@@H]3C2)ccc1CC#N ZINC001164769263 721210674 /nfs/dbraw/zinc/21/06/74/721210674.db2.gz LWTLEDPGGRLTCL-MOPGFXCFSA-N 1 0 350.470 2.148 20 30 FEEDRO N#Cc1ncc(Cl)nc1N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164900333 721520374 /nfs/dbraw/zinc/52/03/74/721520374.db2.gz QJJZKDHZJBRTCD-DZGCQCFKSA-N 1 0 373.819 2.483 20 30 FEEDRO N#Cc1cnc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c(C#N)c1 ZINC001164898174 721523838 /nfs/dbraw/zinc/52/38/38/721523838.db2.gz IDBYGMBIOWKUBR-PKOBYXMFSA-N 1 0 363.396 2.306 20 30 FEEDRO Cc1nc(C#N)cc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164908700 721566388 /nfs/dbraw/zinc/56/63/88/721566388.db2.gz RSGYJWDXFRNHDH-WMZOPIPTSA-N 1 0 353.401 2.138 20 30 FEEDRO N#Cc1cncc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1 ZINC001164903771 721692241 /nfs/dbraw/zinc/69/22/41/721692241.db2.gz CGSPZLIJFKAOMN-SFHVURJKSA-N 1 0 370.407 2.481 20 30 FEEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cnc(C#N)c(C#N)n3)C[C@@H]21 ZINC001165026286 721825807 /nfs/dbraw/zinc/82/58/07/721825807.db2.gz OOLSGXQPPORLDI-RIFZZMRRSA-N 1 0 373.464 2.352 20 30 FEEDRO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2c1c(C#N)cnc2cnc(Cl)cc21 ZINC001164930457 721852625 /nfs/dbraw/zinc/85/26/25/721852625.db2.gz SATHLYRYTXCEAJ-SJORKVTESA-N 1 0 370.888 2.369 20 30 FEEDRO Cc1cc(C#N)c(N2CCCn3cnc(COCC[NH+](C)C)c3C2)nc1C ZINC001165000260 722252588 /nfs/dbraw/zinc/25/25/88/722252588.db2.gz NHUSDURVMBVADE-UHFFFAOYSA-N 1 0 368.485 2.255 20 30 FEEDRO C[C@@H](O)CNc1nc2ccccc2n1CC(=O)NCc1ccc(C#N)cc1 ZINC000519887887 819113676 /nfs/dbraw/zinc/11/36/76/819113676.db2.gz YWBXSAPDTGCYLL-CQSZACIVSA-N 1 0 363.421 2.017 20 30 FEEDRO C=CCNS(=O)(=O)c1cccc(C(=O)Nc2ccccc2C[NH+](C)C)c1 ZINC000024811307 539741060 /nfs/dbraw/zinc/74/10/60/539741060.db2.gz OINZJNBFAUZTGH-UHFFFAOYSA-N 1 0 373.478 2.465 20 30 FEEDRO C[C@H](c1cccc(N2CCCS2(=O)=O)c1)[N@H+](C)CCOCCC#N ZINC000549938820 674074194 /nfs/dbraw/zinc/07/41/94/674074194.db2.gz MCEAEGIUTLDBHF-OAHLLOKOSA-N 1 0 351.472 2.150 20 30 FEEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000045812536 540229423 /nfs/dbraw/zinc/22/94/23/540229423.db2.gz UIYDVZUVROHJHS-STQMWFEESA-N 1 0 358.442 2.086 20 30 FEEDRO COc1cccc([C@@H](CNC(=O)COc2ccccc2C#N)[NH+](C)C)c1 ZINC000046708060 540267207 /nfs/dbraw/zinc/26/72/07/540267207.db2.gz PPOGHIGVJBVXND-GOSISDBHSA-N 1 0 353.422 2.365 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)NCc1ccc(C(N)=O)cc1)C(C)C ZINC000046905688 540276527 /nfs/dbraw/zinc/27/65/27/540276527.db2.gz JATUODWLVNGFCN-SFHVURJKSA-N 1 0 358.486 2.283 20 30 FEEDRO Cc1nn(C)c(C)c1CC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000047010311 540284650 /nfs/dbraw/zinc/28/46/50/540284650.db2.gz IXINFXWJPYFZDF-UHFFFAOYSA-N 1 0 353.470 2.042 20 30 FEEDRO N#Cc1c(F)cccc1N1CCN(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000047104618 540289899 /nfs/dbraw/zinc/28/98/99/540289899.db2.gz MBUCAUILFUMMTN-IEBWSBKVSA-N 1 0 371.460 2.156 20 30 FEEDRO C=CCNC(=O)[C@H](C)[NH+]1CCC(C(=O)NCc2ccc(C)c(F)c2)CC1 ZINC000047893187 540332960 /nfs/dbraw/zinc/33/29/60/540332960.db2.gz CCTVLXOTFCHYKP-HNNXBMFYSA-N 1 0 361.461 2.153 20 30 FEEDRO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1cccc(OCC#N)c1)c1cccs1 ZINC000048743866 540372445 /nfs/dbraw/zinc/37/24/45/540372445.db2.gz XDZMPSGZGRVEOL-HNNXBMFYSA-N 1 0 372.450 2.008 20 30 FEEDRO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1cccc(C#N)c1)c1cccc(F)c1 ZINC000048843550 540374904 /nfs/dbraw/zinc/37/49/04/540374904.db2.gz XQHJUVXCVZSNBO-QGZVFWFLSA-N 1 0 354.385 2.055 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)NCCc2ccc(OCC)c(OCC)c2)CC1 ZINC000050024276 540397362 /nfs/dbraw/zinc/39/73/62/540397362.db2.gz IGCJHURORLJDKE-UHFFFAOYSA-N 1 0 358.482 2.488 20 30 FEEDRO C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000052829740 540491998 /nfs/dbraw/zinc/49/19/98/540491998.db2.gz WZMYYGJREXHRAN-OLZOCXBDSA-N 1 0 350.850 2.076 20 30 FEEDRO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000052930233 540500419 /nfs/dbraw/zinc/50/04/19/540500419.db2.gz LGANZAVPGGQOKC-OAHLLOKOSA-N 1 0 360.483 2.187 20 30 FEEDRO C[NH+](C)CCOc1ccc(CNC(=O)COc2ccc(C#N)cc2)cc1 ZINC000053992228 540563130 /nfs/dbraw/zinc/56/31/30/540563130.db2.gz WTNJFXGVBOUPER-UHFFFAOYSA-N 1 0 353.422 2.194 20 30 FEEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[NH+]3CCC(C(N)=O)CC3)sc2C1 ZINC000054423909 540589895 /nfs/dbraw/zinc/58/98/95/540589895.db2.gz YGKMNJDUMDKDLJ-GFCCVEGCSA-N 1 0 374.510 2.270 20 30 FEEDRO Cc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000057665775 540806539 /nfs/dbraw/zinc/80/65/39/540806539.db2.gz PCPCWAZYWBPXNB-SFHVURJKSA-N 1 0 356.470 2.432 20 30 FEEDRO COc1cc(C#N)ccc1OCC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000057913904 540824128 /nfs/dbraw/zinc/82/41/28/540824128.db2.gz MGRSBTNMDMOGHX-MRXNPFEDSA-N 1 0 369.421 2.492 20 30 FEEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000059890722 540866439 /nfs/dbraw/zinc/86/64/39/540866439.db2.gz HHLLHRGBOAPSHP-QKKBWIMNSA-N 1 0 372.513 2.423 20 30 FEEDRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)N=c2cc(C)n(CCC#N)[nH]2)C1 ZINC000539716368 540984870 /nfs/dbraw/zinc/98/48/70/540984870.db2.gz QFCSCYHYKMRQFC-MRXNPFEDSA-N 1 0 362.478 2.070 20 30 FEEDRO CC[N@H+](CC(=O)NC1CCN(C(C)=O)CC1)[C@H](C)c1ccc(C#N)cc1 ZINC000060477478 541114139 /nfs/dbraw/zinc/11/41/39/541114139.db2.gz ZWLOUPQTQBJQHL-OAHLLOKOSA-N 1 0 356.470 2.068 20 30 FEEDRO N#Cc1cccnc1N1CCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000064634796 541213794 /nfs/dbraw/zinc/21/37/94/541213794.db2.gz RNOKZRIUGFDRTK-UHFFFAOYSA-N 1 0 367.409 2.453 20 30 FEEDRO N#CCCCOc1cccc(NC(=O)C(=O)N2CCC[N@@H+](C3CC3)CC2)c1 ZINC000064305081 541199992 /nfs/dbraw/zinc/19/99/92/541199992.db2.gz LXKPKJLLVMAHMX-UHFFFAOYSA-N 1 0 370.453 2.004 20 30 FEEDRO Cc1cccc(N2C[C@H](C(=O)N(CCC#N)CCC[NH+](C)C)CC2=O)c1C ZINC000064362117 541203191 /nfs/dbraw/zinc/20/31/91/541203191.db2.gz MVFYLYSUKFNXER-GOSISDBHSA-N 1 0 370.497 2.350 20 30 FEEDRO Cc1noc([C@@H]2CCC[N@H+](C[C@@H](O)COc3ccc(CC#N)cc3)C2)n1 ZINC000065433481 541237708 /nfs/dbraw/zinc/23/77/08/541237708.db2.gz KYXJCJJRLSZXOG-IAGOWNOFSA-N 1 0 356.426 2.063 20 30 FEEDRO CC[N@H+](CC(=O)NCCCN1CCCC1=O)[C@H](C)c1ccc(C#N)cc1 ZINC000065432908 541238323 /nfs/dbraw/zinc/23/83/23/541238323.db2.gz JRQQJXHZEOKVRG-MRXNPFEDSA-N 1 0 356.470 2.070 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)NCc2c(Cl)cccc2Cl)CC1 ZINC000550729504 674107812 /nfs/dbraw/zinc/10/78/12/674107812.db2.gz RMZUUEIWDQAHEI-UHFFFAOYSA-N 1 0 370.280 2.376 20 30 FEEDRO CCCN(CCC)S(=O)(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000065975158 541275983 /nfs/dbraw/zinc/27/59/83/541275983.db2.gz VLFDJOOCXJMJRL-UHFFFAOYSA-N 1 0 366.531 2.289 20 30 FEEDRO N#CCCN(C(=O)CCC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1)c1ccccc1 ZINC000066622052 541348560 /nfs/dbraw/zinc/34/85/60/541348560.db2.gz NAFVEJQUMUYROX-MRXNPFEDSA-N 1 0 354.454 2.066 20 30 FEEDRO N#Cc1ccnc(N2CC[NH+](CCC(=O)NCC3CCCCC3)CC2)c1 ZINC000066871100 541383764 /nfs/dbraw/zinc/38/37/64/541383764.db2.gz ZZQVSZBPJWKDOT-UHFFFAOYSA-N 1 0 355.486 2.162 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)Nc2ccc(NS(=O)(=O)CC)c(C)c2)CC1 ZINC000066921276 541394167 /nfs/dbraw/zinc/39/41/67/541394167.db2.gz DEENZZWQERPXON-UHFFFAOYSA-N 1 0 363.483 2.040 20 30 FEEDRO C=CCOc1cccc(NC(=O)C(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000067345249 541447161 /nfs/dbraw/zinc/44/71/61/541447161.db2.gz IZFADYPCIWRGJU-CVEARBPZSA-N 1 0 359.470 2.427 20 30 FEEDRO C=C(C)COc1cccc(NC(=O)C(=O)NC[C@H]2CC[N@@H+](CCC)C2)c1 ZINC000067554443 541479779 /nfs/dbraw/zinc/47/97/79/541479779.db2.gz YEAYCUXXRNLCSE-MRXNPFEDSA-N 1 0 359.470 2.428 20 30 FEEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000067781745 541512996 /nfs/dbraw/zinc/51/29/96/541512996.db2.gz ZWTCNHZXWGVHMI-MRXNPFEDSA-N 1 0 372.469 2.130 20 30 FEEDRO C[NH+](C)CCOc1ccccc1C(=O)NCc1ccc(OCC#N)cc1 ZINC000067926311 541529285 /nfs/dbraw/zinc/52/92/85/541529285.db2.gz KNRCDLFABCYNFY-UHFFFAOYSA-N 1 0 353.422 2.459 20 30 FEEDRO Cc1cc(NC(=O)CON=C(N)c2cccc(C[NH+]3CCCCC3)c2)no1 ZINC000068877276 541636005 /nfs/dbraw/zinc/63/60/05/541636005.db2.gz XEHMCPYBTZBIFW-UHFFFAOYSA-N 1 0 371.441 2.245 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)Nc2ccccc2OCCn2ccnc2)CC1 ZINC000069008016 541648050 /nfs/dbraw/zinc/64/80/50/541648050.db2.gz BMJDZHUNIYCLQO-UHFFFAOYSA-N 1 0 352.438 2.246 20 30 FEEDRO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)COc1ccccc1C#N ZINC000247392855 549328278 /nfs/dbraw/zinc/32/82/78/549328278.db2.gz ZUTJQBFXYDPZKL-QFBILLFUSA-N 1 0 364.449 2.359 20 30 FEEDRO CCOC(=O)c1ccc(N2CCC[N@H+](CCCSCC#N)CC2)nc1 ZINC000072515609 541824893 /nfs/dbraw/zinc/82/48/93/541824893.db2.gz FKJGDOZCGQYHSN-UHFFFAOYSA-N 1 0 362.499 2.417 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CC[NH+]([C@H](CC)CO)CC1 ZINC000072798025 541867121 /nfs/dbraw/zinc/86/71/21/541867121.db2.gz IQYPQLWPLRSVBH-DLBZAZTESA-N 1 0 365.543 2.040 20 30 FEEDRO CCN(CCC#N)C(=O)C[N@H+](C)C1CCN(c2ccc(OC)cc2)CC1 ZINC000072801214 541868271 /nfs/dbraw/zinc/86/82/71/541868271.db2.gz QQKMDGTXORMZLU-UHFFFAOYSA-N 1 0 358.486 2.358 20 30 FEEDRO CCC[N@H+](CCO)CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 ZINC000072958253 541896614 /nfs/dbraw/zinc/89/66/14/541896614.db2.gz OYXHSAPVBCWMBK-UHFFFAOYSA-N 1 0 358.442 2.261 20 30 FEEDRO C=CCNC(=O)C[NH+]1CCC(C(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC000072977729 541901695 /nfs/dbraw/zinc/90/16/95/541901695.db2.gz JKDYSAMWZPIYIK-UHFFFAOYSA-N 1 0 353.825 2.432 20 30 FEEDRO N#Cc1cccc(CS(=O)(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000073793968 542001026 /nfs/dbraw/zinc/00/10/26/542001026.db2.gz MXIXKUHDCZTGCZ-LJQANCHMSA-N 1 0 355.463 2.252 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1ccc2c(c1)OCC(=O)N2)C(C)C ZINC000073806522 542002033 /nfs/dbraw/zinc/00/20/33/542002033.db2.gz MUXKCBCRUFJLID-KRWDZBQOSA-N 1 0 357.454 2.446 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CC(=O)N(C(C)C)C(C)(C)C2)CC1 ZINC000074129953 542040989 /nfs/dbraw/zinc/04/09/89/542040989.db2.gz GWZTUASZOSJPSM-UHFFFAOYSA-N 1 0 350.507 2.068 20 30 FEEDRO C=CCN(CC1CCCCC1)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000074345618 542071765 /nfs/dbraw/zinc/07/17/65/542071765.db2.gz BSXOFJYBUBVOGV-GOSISDBHSA-N 1 0 364.534 2.352 20 30 FEEDRO CC[NH+](CC)CCOC1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000074974443 542143066 /nfs/dbraw/zinc/14/30/66/542143066.db2.gz KGQVSXYQOBFNDR-UHFFFAOYSA-N 1 0 365.499 2.070 20 30 FEEDRO CN(C(=O)CN1CC[NH+](CCCSCC#N)CC1)C1CCCCC1 ZINC000074990255 542143994 /nfs/dbraw/zinc/14/39/94/542143994.db2.gz SYNMLRDRQZRVGS-UHFFFAOYSA-N 1 0 352.548 2.042 20 30 FEEDRO C[C@@H](c1ccccc1)N1C[C@@H](C(=O)N(CCC#N)CCC[NH+](C)C)CC1=O ZINC000076023396 542225393 /nfs/dbraw/zinc/22/53/93/542225393.db2.gz IDSPTTBJTJHFPN-HKUYNNGSSA-N 1 0 370.497 2.290 20 30 FEEDRO C[C@H](c1ccccc1)N1C[C@H](C(=O)N(CCC#N)CCC[NH+](C)C)CC1=O ZINC000076023393 542225725 /nfs/dbraw/zinc/22/57/25/542225725.db2.gz IDSPTTBJTJHFPN-IEBWSBKVSA-N 1 0 370.497 2.290 20 30 FEEDRO CC1CCN(C(=[NH2+])NCCNC(=O)c2cccc(Br)c2)CC1 ZINC000076105689 542232862 /nfs/dbraw/zinc/23/28/62/542232862.db2.gz XGBQORNRSFGBLC-UHFFFAOYSA-N 1 0 367.291 2.226 20 30 FEEDRO CCN(CCC#N)C(=O)C[N@H+](CC)CC1CCN(c2ccccn2)CC1 ZINC000076108804 542233971 /nfs/dbraw/zinc/23/39/71/542233971.db2.gz LSGNLBWRKDYZSG-UHFFFAOYSA-N 1 0 357.502 2.382 20 30 FEEDRO C=CCN(CC=C)C(=O)C[N@H+]1CC[C@@](C)(CNC(=O)OC(C)(C)C)C1 ZINC000801578314 674137369 /nfs/dbraw/zinc/13/73/69/674137369.db2.gz UWWMWVQJBOSJPE-IBGZPJMESA-N 1 0 351.491 2.424 20 30 FEEDRO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2nnc3ccccn32)C1 ZINC000076397760 542274319 /nfs/dbraw/zinc/27/43/19/542274319.db2.gz FNMGIMPKNIUMIU-SJORKVTESA-N 1 0 353.470 2.498 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cccc(CC(F)(F)F)c2)CC1 ZINC000076526342 542289025 /nfs/dbraw/zinc/28/90/25/542289025.db2.gz GBOZLSQDVXLFMR-UHFFFAOYSA-N 1 0 369.387 2.497 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)[C@H]2CCC(=O)N(C)[C@@H]2c2cccs2)CC1 ZINC000076593091 542298296 /nfs/dbraw/zinc/29/82/96/542298296.db2.gz HAQQEAPCTYRFCO-YJBOKZPZSA-N 1 0 361.511 2.424 20 30 FEEDRO N#Cc1c2c(sc1NC(=O)CC[NH+]1CCC(CC(N)=O)CC1)CCC2 ZINC000077168567 542350124 /nfs/dbraw/zinc/35/01/24/542350124.db2.gz INYXXGOWHVFBIV-UHFFFAOYSA-N 1 0 360.483 2.024 20 30 FEEDRO COc1cc(C#N)ccc1OCC[NH+]1CCC(N2CCO[C@@H](C)C2)CC1 ZINC000077284388 542361853 /nfs/dbraw/zinc/36/18/53/542361853.db2.gz VEZLPMRVRBZMCF-INIZCTEOSA-N 1 0 359.470 2.131 20 30 FEEDRO C#CCOc1cccc(NC(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)c1 ZINC000077465969 542385056 /nfs/dbraw/zinc/38/50/56/542385056.db2.gz HTYIJJQSEVMKLB-MRXNPFEDSA-N 1 0 357.454 2.321 20 30 FEEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000077468627 542385085 /nfs/dbraw/zinc/38/50/85/542385085.db2.gz QKVHZNDMVKZGCJ-LSDHHAIUSA-N 1 0 361.515 2.448 20 30 FEEDRO C[N@H+](CCCNC(=O)C(=O)Nc1ccc(F)c(C#N)c1)C1CCCCC1 ZINC000077538868 542394554 /nfs/dbraw/zinc/39/45/54/542394554.db2.gz ZPVXPTRQOGAKNR-UHFFFAOYSA-N 1 0 360.433 2.407 20 30 FEEDRO N#Cc1cccc(NC(=O)C(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)c1 ZINC000077851717 542427317 /nfs/dbraw/zinc/42/73/17/542427317.db2.gz VJFVFSXUMBQDKJ-IBGZPJMESA-N 1 0 362.433 2.450 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccc(C(=O)N(C)C)cc2OC)CC1 ZINC000078788485 542481126 /nfs/dbraw/zinc/48/11/26/542481126.db2.gz HBXLHBPPQIZUPV-UHFFFAOYSA-N 1 0 360.458 2.169 20 30 FEEDRO C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000078963691 542490818 /nfs/dbraw/zinc/49/08/18/542490818.db2.gz HEHLNNUCZLZYGK-HZPDHXFCSA-N 1 0 357.454 2.037 20 30 FEEDRO CC(C)N1CC[C@H]([NH2+]CC(=O)NCCC#N)[C@H]1c1ccc(F)c(F)c1 ZINC000801956573 674156864 /nfs/dbraw/zinc/15/68/64/674156864.db2.gz POZFYEFQDSGGED-FUHWJXTLSA-N 1 0 350.413 2.108 20 30 FEEDRO C/[NH+]=C(/NCc1cn2ccsc2n1)N[C@H]1CCN(c2ccccc2)C1 ZINC000080909443 542614309 /nfs/dbraw/zinc/61/43/09/542614309.db2.gz NXORLTNKAIWDAY-AWEZNQCLSA-N 1 0 354.483 2.340 20 30 FEEDRO CC[NH+]1CCN(CC(=O)NC2CCC(Oc3ccccc3C#N)CC2)CC1 ZINC000081385711 542655053 /nfs/dbraw/zinc/65/50/53/542655053.db2.gz JPYYOCRNWWPXSC-UHFFFAOYSA-N 1 0 370.497 2.002 20 30 FEEDRO Cc1ccc(C(=O)NCCNC(=[NH2+])N[C@@H]2CCOc3ccccc32)cc1F ZINC000083030805 542690481 /nfs/dbraw/zinc/69/04/81/542690481.db2.gz KMLOJJBXLYNDRM-QGZVFWFLSA-N 1 0 370.428 2.292 20 30 FEEDRO N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c([N+](=O)[O-])c1 ZINC000084859976 542721487 /nfs/dbraw/zinc/72/14/87/542721487.db2.gz WLMFAWDNVMUADR-KRWDZBQOSA-N 1 0 353.378 2.264 20 30 FEEDRO C[NH+]=C(NCc1cnc(N(C)C)n1C)N1CC[C@@H](c2ccc(OC)cc2)C1 ZINC000088209371 542747597 /nfs/dbraw/zinc/74/75/97/542747597.db2.gz WBXOXUUBVOGSHP-MRXNPFEDSA-N 1 0 370.501 2.060 20 30 FEEDRO C=CCNC(=O)c1ccc(N2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)nc1 ZINC000091478652 542809877 /nfs/dbraw/zinc/80/98/77/542809877.db2.gz DTAFOZZCAOYBAJ-IAGOWNOFSA-N 1 0 372.513 2.323 20 30 FEEDRO C[N@@H+](Cc1cnc2ccc(C#N)cn12)C[C@H](O)COCc1ccccc1 ZINC000092472243 542864792 /nfs/dbraw/zinc/86/47/92/542864792.db2.gz SUCVTVRCVUWTMB-IBGZPJMESA-N 1 0 350.422 2.215 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Cn1c(=O)cnc2ccccc21)C(C)C ZINC000101684432 543040942 /nfs/dbraw/zinc/04/09/42/543040942.db2.gz JIEGXKOXGAANKW-LJQANCHMSA-N 1 0 368.481 2.211 20 30 FEEDRO CCCC(=O)NC[C@@H]1CCCN([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000101913576 543049156 /nfs/dbraw/zinc/04/91/56/543049156.db2.gz ZCMNXURWIUIFBQ-PKOBYXMFSA-N 1 0 368.481 2.292 20 30 FEEDRO C[C@@H](CNC(=O)N1CCN(c2ccccc2C#N)CC1)C[NH+]1CCCC1 ZINC000101796586 543046241 /nfs/dbraw/zinc/04/62/41/543046241.db2.gz UVTCLXXRLHGRKK-KRWDZBQOSA-N 1 0 355.486 2.122 20 30 FEEDRO C=C(C)COc1cccc(NC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000105033909 543155712 /nfs/dbraw/zinc/15/57/12/543155712.db2.gz BDSWILLBSZLEJE-INIZCTEOSA-N 1 0 374.485 2.350 20 30 FEEDRO CC1CC[NH+](Cc2ccccc2CNC(=O)N2CCO[C@@H](C#N)C2)CC1 ZINC000106330791 543223458 /nfs/dbraw/zinc/22/34/58/543223458.db2.gz QBBMOTJSCQJWBJ-IBGZPJMESA-N 1 0 356.470 2.352 20 30 FEEDRO Cc1ccc(C[NH+]2CCC(CNC(=O)N3CCO[C@@H](C#N)C3)CC2)cc1 ZINC000106584520 543240728 /nfs/dbraw/zinc/24/07/28/543240728.db2.gz HBSNAMBRVNHTOZ-IBGZPJMESA-N 1 0 356.470 2.141 20 30 FEEDRO CC(C)[C@H](C(=O)N1CCN(c2c(C#N)cnc3ccccc32)CC1)[NH+](C)C ZINC000106913689 543255418 /nfs/dbraw/zinc/25/54/18/543255418.db2.gz HUCBFBBHHAKZPV-LJQANCHMSA-N 1 0 365.481 2.341 20 30 FEEDRO N#Cc1cc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)ccc1Cl ZINC000106963495 543258611 /nfs/dbraw/zinc/25/86/11/543258611.db2.gz QAQMPCMVRTXJGH-AWEZNQCLSA-N 1 0 360.845 2.283 20 30 FEEDRO CC[NH+]1CCC(NC(=O)C(=O)Nc2ccccc2SCCC#N)CC1 ZINC000108604848 543297290 /nfs/dbraw/zinc/29/72/90/543297290.db2.gz ZDCJZVLGGYWQAU-UHFFFAOYSA-N 1 0 360.483 2.231 20 30 FEEDRO C=CCN(CC=C)C(=O)NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000108579009 543295483 /nfs/dbraw/zinc/29/54/83/543295483.db2.gz QRGVXBGVNGHRTN-LJQANCHMSA-N 1 0 370.497 2.268 20 30 FEEDRO C[N@@H+]1CCC[C@H](CNC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)C1 ZINC000108587241 543296324 /nfs/dbraw/zinc/29/63/24/543296324.db2.gz IHLOBCRDSNRAOS-QGZVFWFLSA-N 1 0 356.470 2.453 20 30 FEEDRO N#Cc1ccc(NC(=O)CC[N@@H+]2CCCC[C@H]2C(=O)N2CCCC2)cc1 ZINC000109389945 543323665 /nfs/dbraw/zinc/32/36/65/543323665.db2.gz PXXBECGTWMIACX-SFHVURJKSA-N 1 0 354.454 2.364 20 30 FEEDRO COc1cc(Br)ccc1C(=O)NC1(C#N)CC[NH+](C)CC1 ZINC000111159832 543383907 /nfs/dbraw/zinc/38/39/07/543383907.db2.gz QNMVFGDMIBBDKV-UHFFFAOYSA-N 1 0 352.232 2.175 20 30 FEEDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)N1CCN(c2ccccc2C#N)CC1 ZINC000111511347 543405522 /nfs/dbraw/zinc/40/55/22/543405522.db2.gz COUAYALIUKGAHH-SFHVURJKSA-N 1 0 355.486 2.264 20 30 FEEDRO CC(=O)N(C)C1CC[NH+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000112544704 543450939 /nfs/dbraw/zinc/45/09/39/543450939.db2.gz ZUUKLMBYHOTCBS-UHFFFAOYSA-N 1 0 362.861 2.483 20 30 FEEDRO N#CCCn1cc(C[NH2+]CC(=O)NCc2ccco2)c(-c2ccccc2)n1 ZINC000113319060 543483732 /nfs/dbraw/zinc/48/37/32/543483732.db2.gz JYQJCTNNJULDDD-UHFFFAOYSA-N 1 0 363.421 2.463 20 30 FEEDRO CC[N@H+](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)CC(C)(C)O ZINC000114486892 543520723 /nfs/dbraw/zinc/52/07/23/543520723.db2.gz PNKJKTLJNBINFN-UHFFFAOYSA-N 1 0 356.388 2.266 20 30 FEEDRO CC1CCC([NH+]2CCN(C[C@@H](O)COc3ccc(C#N)cc3)CC2)CC1 ZINC000115567320 543574721 /nfs/dbraw/zinc/57/47/21/543574721.db2.gz QKXRXYPYRSKKBT-LYBXBRPPSA-N 1 0 357.498 2.494 20 30 FEEDRO N#Cc1cccc(NC(=O)C(=O)NC2CC[NH+](Cc3ccsc3)CC2)c1 ZINC000115881137 543592553 /nfs/dbraw/zinc/59/25/53/543592553.db2.gz XTERYWMUAIKAHJ-UHFFFAOYSA-N 1 0 368.462 2.339 20 30 FEEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000118129307 543647669 /nfs/dbraw/zinc/64/76/69/543647669.db2.gz XIRXIBXUNCESFJ-ZIAGYGMSSA-N 1 0 374.510 2.476 20 30 FEEDRO C[C@H](c1ccc(C#N)cc1)[NH+]1CCN(c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000118393236 543651879 /nfs/dbraw/zinc/65/18/79/543651879.db2.gz PWCMJYIIMACXBF-OAHLLOKOSA-N 1 0 370.478 2.089 20 30 FEEDRO C=CCCS(=O)(=O)N[C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000120183545 543677191 /nfs/dbraw/zinc/67/71/91/543677191.db2.gz HTWUKSYWWKUVGY-AWEZNQCLSA-N 1 0 355.479 2.134 20 30 FEEDRO N#Cc1cc(F)c(S(=O)(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)c(F)c1 ZINC000125604050 543891314 /nfs/dbraw/zinc/89/13/14/543891314.db2.gz GNAHLABSNUCXEM-CQSZACIVSA-N 1 0 369.437 2.475 20 30 FEEDRO N#CC1(c2ccccc2)CC([NH2+][C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000126972500 543965914 /nfs/dbraw/zinc/96/59/14/543965914.db2.gz FEQDPLZCWFCBAG-CGIJZDBUSA-N 1 0 367.405 2.203 20 30 FEEDRO COc1ccc(CCNC(=[NH2+])NC[C@@H](O)c2cccc(C)c2)cc1OC ZINC000128871825 544078387 /nfs/dbraw/zinc/07/83/87/544078387.db2.gz LZWIREICGONYKQ-QGZVFWFLSA-N 1 0 357.454 2.193 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(Br)o2)c1C#N ZINC000128175492 544036832 /nfs/dbraw/zinc/03/68/32/544036832.db2.gz PJRCCNMCWAAQCH-UHFFFAOYSA-N 1 0 352.192 2.041 20 30 FEEDRO C=CCNC(=O)NC(=O)[C@@H](C)N1CC[C@H](Oc2ccccc2Cl)C1 ZINC000128513657 544056541 /nfs/dbraw/zinc/05/65/41/544056541.db2.gz GNUDTJKVUXKWLC-OLZOCXBDSA-N 1 0 351.834 2.193 20 30 FEEDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000128582365 544061167 /nfs/dbraw/zinc/06/11/67/544061167.db2.gz KCHUMKBEUUTKCB-MRXNPFEDSA-N 1 0 360.433 2.263 20 30 FEEDRO C=C[C@@H](CC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)c1ccccc1 ZINC000129266822 544101114 /nfs/dbraw/zinc/10/11/14/544101114.db2.gz SQASBNGVNULVRX-SFHVURJKSA-N 1 0 355.482 2.113 20 30 FEEDRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)C(C)(C)Oc1ccc(C#N)cc1 ZINC000130430654 544150752 /nfs/dbraw/zinc/15/07/52/544150752.db2.gz JWNPRSLULJQZQB-UHFFFAOYSA-N 1 0 372.513 2.200 20 30 FEEDRO CN(CCC#N)C(=O)CC[NH+]1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000130957408 544172173 /nfs/dbraw/zinc/17/21/73/544172173.db2.gz FFMLZBNXSXEAOV-UHFFFAOYSA-N 1 0 366.868 2.359 20 30 FEEDRO COc1ccc(C[NH2+]C[C@@H]2CCCS2(=O)=O)cc1OCCCC#N ZINC000131768306 544205851 /nfs/dbraw/zinc/20/58/51/544205851.db2.gz QFOSMTDOWOSJFA-HNNXBMFYSA-N 1 0 352.456 2.045 20 30 FEEDRO N#CC1(C(=O)Nc2cccc(C[NH+]3CCC(C(N)=O)CC3)c2)CCCC1 ZINC000132153709 544221163 /nfs/dbraw/zinc/22/11/63/544221163.db2.gz LRPKTCYSXDGBPU-UHFFFAOYSA-N 1 0 354.454 2.406 20 30 FEEDRO C=C[C@H](C)NC(=O)C(=O)Nc1cccc(NC(=O)CC[NH+]2CCCCC2)c1 ZINC000133899627 544287068 /nfs/dbraw/zinc/28/70/68/544287068.db2.gz HUXJYTAXBRURSO-HNNXBMFYSA-N 1 0 372.469 2.130 20 30 FEEDRO N#CCCN(CCC#N)C(=O)C[N@H+]1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000134791790 544321420 /nfs/dbraw/zinc/32/14/20/544321420.db2.gz QEPMONXCCHGHOW-RBUKOAKNSA-N 1 0 372.444 2.370 20 30 FEEDRO C=C(C)COCCNC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000135036353 544331942 /nfs/dbraw/zinc/33/19/42/544331942.db2.gz FRPIWAMHGUTLGR-UHFFFAOYSA-N 1 0 353.507 2.161 20 30 FEEDRO COc1ccc(C[N@H+](C)[C@@H](C)c2cccc(S(N)(=O)=O)c2)cc1C#N ZINC000135181556 544337615 /nfs/dbraw/zinc/33/76/15/544337615.db2.gz ACLJUFQTIIYVDX-ZDUSSCGKSA-N 1 0 359.451 2.407 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)Nc1ccc(C#N)cc1F)C(C)C ZINC000135841553 544362296 /nfs/dbraw/zinc/36/22/96/544362296.db2.gz IVNWVLMWQXIVMN-SFHVURJKSA-N 1 0 372.444 2.451 20 30 FEEDRO C=CCNc1ncc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)nc2)s1 ZINC000136109350 544366678 /nfs/dbraw/zinc/36/66/78/544366678.db2.gz KUEVIEJLMPBHBO-UHFFFAOYSA-N 1 0 358.471 2.140 20 30 FEEDRO N#Cc1ccc(NC(=O)C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)c(F)c1 ZINC000136226342 544369304 /nfs/dbraw/zinc/36/93/04/544369304.db2.gz OIKIJJUXRJFNHJ-OAHLLOKOSA-N 1 0 358.417 2.113 20 30 FEEDRO N#Cc1ccc(C(=O)NCc2cccc(OCCN3CCOCC3)c2)cc1 ZINC000139909091 544405752 /nfs/dbraw/zinc/40/57/52/544405752.db2.gz ODAQGXAZPZFQHK-UHFFFAOYSA-N 1 0 365.433 2.199 20 30 FEEDRO N#Cc1ccccc1NC(=O)CCCC(=O)N1CC[NH+](CC2CC2)CC1 ZINC000151138127 544508833 /nfs/dbraw/zinc/50/88/33/544508833.db2.gz GLPOKBGTKKDCCY-UHFFFAOYSA-N 1 0 354.454 2.221 20 30 FEEDRO C=CCSCCNC(=O)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000151247540 544520862 /nfs/dbraw/zinc/52/08/62/544520862.db2.gz ATRALNLPMVOZNF-MSOLQXFVSA-N 1 0 363.527 2.088 20 30 FEEDRO Cc1oc(NC(=O)[C@H](C)N2CCN(c3cc[nH+]cc3)CC2)c(C#N)c1C ZINC000151291834 544525313 /nfs/dbraw/zinc/52/53/13/544525313.db2.gz QUGPRCYNFWUCFW-AWEZNQCLSA-N 1 0 353.426 2.312 20 30 FEEDRO Cc1cc(C)cc(N(CCC#N)C(=O)CN(CCO)Cc2cccnc2)c1 ZINC000152328847 544640013 /nfs/dbraw/zinc/64/00/13/544640013.db2.gz NHNJVJQDLVKVCF-UHFFFAOYSA-N 1 0 366.465 2.440 20 30 FEEDRO C[C@H](c1ccc(C#N)cc1)[NH+]1CCC(CNC(=O)c2cnn(C)c2)CC1 ZINC000154883934 544961563 /nfs/dbraw/zinc/96/15/63/544961563.db2.gz DQDJXNBNRLOQEZ-OAHLLOKOSA-N 1 0 351.454 2.495 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)Nc2ccc(-c3nnc(N(C)C)o3)cc2)CC1 ZINC000155179712 544998421 /nfs/dbraw/zinc/99/84/21/544998421.db2.gz RINMKWXGNCFCEJ-UHFFFAOYSA-N 1 0 353.426 2.086 20 30 FEEDRO COC(=O)[C@H]1CCCC[C@@]1(C)[NH2+]CCS(=O)(=O)c1cccc(C#N)c1 ZINC000553661342 674277850 /nfs/dbraw/zinc/27/78/50/674277850.db2.gz UNWQDZXEHNBDKP-SJLPKXTDSA-N 1 0 364.467 2.043 20 30 FEEDRO C[C@H](NC(=O)c1c[nH]c(C#N)c1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000181271758 327722996 /nfs/dbraw/zinc/72/29/96/327722996.db2.gz VMOQVYGUCRLFKI-ZDUSSCGKSA-N 1 0 355.417 2.268 20 30 FEEDRO C[NH+](C)CC1(CNC(=O)Nc2cnn(-c3ncccc3C#N)c2)CCCC1 ZINC000184607273 327875233 /nfs/dbraw/zinc/87/52/33/327875233.db2.gz LFYVMWOTBSBHSE-UHFFFAOYSA-N 1 0 367.457 2.382 20 30 FEEDRO N#Cc1c(F)cccc1C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000186190536 327950614 /nfs/dbraw/zinc/95/06/14/327950614.db2.gz NLFZVZJSGQIPIU-UHFFFAOYSA-N 1 0 366.440 2.245 20 30 FEEDRO N#Cc1ccc(C(=O)NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)cc1O ZINC000189198636 328134410 /nfs/dbraw/zinc/13/44/10/328134410.db2.gz ZNMLTZMHWGOMHX-LJQANCHMSA-N 1 0 365.433 2.151 20 30 FEEDRO Cc1c(C#N)cccc1NC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000189400338 328145507 /nfs/dbraw/zinc/14/55/07/328145507.db2.gz GCQOLDXIVBULTK-KRWDZBQOSA-N 1 0 354.454 2.282 20 30 FEEDRO C[C@@H]1CN(C(=O)c2ccc(C[NH2+]Cc3cc(C#N)n(C)c3)cc2)C[C@H](C)O1 ZINC000190872778 328237612 /nfs/dbraw/zinc/23/76/12/328237612.db2.gz IHZFBWXEMWVDKK-IYBDPMFKSA-N 1 0 366.465 2.436 20 30 FEEDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)C1 ZINC000192968829 328349446 /nfs/dbraw/zinc/34/94/46/328349446.db2.gz LYVTTWDUFXFOJQ-OAHLLOKOSA-N 1 0 373.501 2.290 20 30 FEEDRO C[C@@H](O)C[N@@H+]1CCN(Cc2ccc(C#N)cc2Br)[C@H](C)C1 ZINC000192959938 328349226 /nfs/dbraw/zinc/34/92/26/328349226.db2.gz APWLOKMAAMIHFI-CHWSQXEVSA-N 1 0 352.276 2.208 20 30 FEEDRO C[N@H+]1C[C@H]2CN(CCC(=O)Nc3sc4c(c3C#N)CCCC4)C[C@H]2C1 ZINC000193610900 328385575 /nfs/dbraw/zinc/38/55/75/328385575.db2.gz PWIBUWHOJZANNF-OKILXGFUSA-N 1 0 358.511 2.321 20 30 FEEDRO Cc1nc(C#N)c(N2CCC(C(=O)NC[C@H]3CCC[N@H+]3CC(C)C)CC2)o1 ZINC000193665707 328388375 /nfs/dbraw/zinc/38/83/75/328388375.db2.gz FTCWNWXISMPQDR-QGZVFWFLSA-N 1 0 373.501 2.308 20 30 FEEDRO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)CC(=O)NC1CC1 ZINC000007926136 324358957 /nfs/dbraw/zinc/35/89/57/324358957.db2.gz UMANEPAYTPVITB-UHFFFAOYSA-N 1 0 374.510 2.428 20 30 FEEDRO Cc1ccc(C#N)cc1NC(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000058453120 324837502 /nfs/dbraw/zinc/83/75/02/324837502.db2.gz SCNOMBZZYVGKGL-UHFFFAOYSA-N 1 0 364.453 2.335 20 30 FEEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)CCOC1CCOCC1 ZINC000084544993 325238865 /nfs/dbraw/zinc/23/88/65/325238865.db2.gz HZEHMJRKXBBGLT-UHFFFAOYSA-N 1 0 359.470 2.034 20 30 FEEDRO CCCOc1cccc(CC(=O)Nc2n[nH]c(CCC[NH2+]C)c2C#N)c1 ZINC000089677003 325326569 /nfs/dbraw/zinc/32/65/69/325326569.db2.gz ZOKCKAXUTOXODO-UHFFFAOYSA-N 1 0 355.442 2.403 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@H](C)Oc2ccc(F)c(F)c2)c1C#N ZINC000089675517 325326871 /nfs/dbraw/zinc/32/68/71/325326871.db2.gz CCPDDTJYWARWMU-JTQLQIEISA-N 1 0 363.368 2.118 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2coc(Br)c2)c1C#N ZINC000089676012 325326877 /nfs/dbraw/zinc/32/68/77/325326877.db2.gz HUPFFEZPWSZOBP-UHFFFAOYSA-N 1 0 352.192 2.041 20 30 FEEDRO CC(C)OC(=O)c1ccc(C[N@H+](C)CCCc2[nH]nc(N)c2C#N)cc1 ZINC000089943708 325343952 /nfs/dbraw/zinc/34/39/52/325343952.db2.gz ULALLJVUNQIKHD-UHFFFAOYSA-N 1 0 355.442 2.493 20 30 FEEDRO Cc1ccc(C)c(OC[C@H](O)C[N@H+](C)CCCc2[nH]nc(N)c2C#N)c1C ZINC000089942911 325344001 /nfs/dbraw/zinc/34/40/01/325344001.db2.gz WAHGBTZZRXHKDE-MRXNPFEDSA-N 1 0 371.485 2.093 20 30 FEEDRO COc1cc(CNC(=O)c2sccc2C#N)ccc1OCC[NH+](C)C ZINC000101518297 325468838 /nfs/dbraw/zinc/46/88/38/325468838.db2.gz DSLQFARULFPTGN-UHFFFAOYSA-N 1 0 359.451 2.499 20 30 FEEDRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)NCc2cccc(C#N)c2)CC1 ZINC000105119797 325557593 /nfs/dbraw/zinc/55/75/93/325557593.db2.gz WCOGXSKKWPDPNU-QZTJIDSGSA-N 1 0 369.513 2.258 20 30 FEEDRO CC[C@@H]1CCC[N@H+](CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)CC1 ZINC000117343004 326057857 /nfs/dbraw/zinc/05/78/57/326057857.db2.gz WYCUCWQWEKDORM-MRXNPFEDSA-N 1 0 359.474 2.015 20 30 FEEDRO CN(Cc1cccc(C#N)c1)C(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000119017309 326118500 /nfs/dbraw/zinc/11/85/00/326118500.db2.gz RHMMPQYZPLRTKY-UHFFFAOYSA-N 1 0 367.453 2.235 20 30 FEEDRO Cc1cccc(NC(=O)C(=O)N2CCC([N@H+]3CCC[C@@H]3C)CC2)c1C#N ZINC000121720370 326361254 /nfs/dbraw/zinc/36/12/54/326361254.db2.gz VOCFXUIGWDDSDA-HNNXBMFYSA-N 1 0 354.454 2.281 20 30 FEEDRO C[C@H]([NH3+])[C@@H]1CCCN(S(=O)(=O)c2cc(Br)cc(C#N)c2)C1 ZINC000124326818 326451826 /nfs/dbraw/zinc/45/18/26/326451826.db2.gz VAPSBUDVAWXNCT-CMPLNLGQSA-N 1 0 372.288 2.069 20 30 FEEDRO CC[NH+](CC)C[C@@H]1CCN(S(=O)(=O)c2c(F)cc(C#N)cc2F)C1 ZINC000125763168 326477524 /nfs/dbraw/zinc/47/75/24/326477524.db2.gz NJVSPLRGFOSDKN-LBPRGKRZSA-N 1 0 357.426 2.189 20 30 FEEDRO C[C@H](CNS(=O)(=O)Cc1cc(C#N)ccc1F)C[NH+]1CCCCC1 ZINC000160959257 326983347 /nfs/dbraw/zinc/98/33/47/326983347.db2.gz MNDGOFXAJSDWHG-CQSZACIVSA-N 1 0 353.463 2.239 20 30 FEEDRO N#Cc1ccc(F)c(CS(=O)(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)c1 ZINC000162398136 327024851 /nfs/dbraw/zinc/02/48/51/327024851.db2.gz NDRNKPLLJMKODD-KRWDZBQOSA-N 1 0 365.474 2.477 20 30 FEEDRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)NCc2ccc(C#N)cc2)CC1 ZINC000171617212 327148409 /nfs/dbraw/zinc/14/84/09/327148409.db2.gz MHFCAJAMCOYSDW-ROUUACIJSA-N 1 0 369.513 2.258 20 30 FEEDRO CCOc1ccc(C#N)cc1NC(=O)N1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000171636699 327150343 /nfs/dbraw/zinc/15/03/43/327150343.db2.gz MJYFOXCRHYTCSU-KRWDZBQOSA-N 1 0 371.485 2.201 20 30 FEEDRO Cc1oc(NC(=O)[C@@H](C)N2CCC([N@@H+]3CCO[C@H](C)C3)CC2)c(C#N)c1C ZINC000171750010 327158764 /nfs/dbraw/zinc/15/87/64/327158764.db2.gz VGYVLUZKIZCVOE-UKRRQHHQSA-N 1 0 374.485 2.280 20 30 FEEDRO N#Cc1ccc2ncc(C[NH2+]CCS(=O)(=O)c3ccc(Cl)cc3)n2c1 ZINC000172339224 327196737 /nfs/dbraw/zinc/19/67/37/327196737.db2.gz LMVCJUSDRGUQAB-UHFFFAOYSA-N 1 0 374.853 2.423 20 30 FEEDRO Cc1ccc(C#N)cc1NC(=O)Nc1cnn(CCN2CCOCC2)c1 ZINC000265936643 329174527 /nfs/dbraw/zinc/17/45/27/329174527.db2.gz MDNUSNBSXGLJTJ-UHFFFAOYSA-N 1 0 354.414 2.039 20 30 FEEDRO Cc1cccc(NC(=O)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)c1C#N ZINC000266549014 329235236 /nfs/dbraw/zinc/23/52/36/329235236.db2.gz KBZUFDMJFYLNIJ-KRWDZBQOSA-N 1 0 362.433 2.196 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCC(=O)OC(C)(C)C ZINC000266777285 329259007 /nfs/dbraw/zinc/25/90/07/329259007.db2.gz JNJAIPLKSPNZHA-UHFFFAOYSA-N 1 0 374.485 2.363 20 30 FEEDRO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)Nc1nc(-c2cccc(C#N)c2)cs1 ZINC000269778878 329547986 /nfs/dbraw/zinc/54/79/86/329547986.db2.gz AMSMALDLFLYWBM-LBPRGKRZSA-N 1 0 371.466 2.077 20 30 FEEDRO Cn1cc(C[NH+]2CCC(CCC(N)=O)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000272338282 329771777 /nfs/dbraw/zinc/77/17/77/329771777.db2.gz YANHIQMOODYXHM-UHFFFAOYSA-N 1 0 351.454 2.436 20 30 FEEDRO CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000274921179 329993031 /nfs/dbraw/zinc/99/30/31/329993031.db2.gz LHFSWTADNCIPFW-PBHICJAKSA-N 1 0 356.470 2.337 20 30 FEEDRO C[NH+](C)Cc1ccc(NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)cc1 ZINC000275629494 330072418 /nfs/dbraw/zinc/07/24/18/330072418.db2.gz JEFRRBTUJLEVMT-UHFFFAOYSA-N 1 0 368.441 2.149 20 30 FEEDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)Nc1ccc(C#N)cc1Cl ZINC000275837466 330094805 /nfs/dbraw/zinc/09/48/05/330094805.db2.gz JGUFCULVBPZDAD-LBPRGKRZSA-N 1 0 362.861 2.339 20 30 FEEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(C#N)cc2Cl)[C@H](C)C1 ZINC000276211326 330129801 /nfs/dbraw/zinc/12/98/01/330129801.db2.gz ZYEMVDHRAPEZFF-WBMJQRKESA-N 1 0 362.861 2.339 20 30 FEEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+][C@H]2CCc3ccccc3OC2)c1 ZINC000367217988 330231717 /nfs/dbraw/zinc/23/17/17/330231717.db2.gz DGIOZRVFPKBSSW-KRWDZBQOSA-N 1 0 356.447 2.315 20 30 FEEDRO Cc1ccc(C#N)c(N2CCC[C@H](C(=O)NCC[N@H+]3CCCC[C@H]3C)C2)n1 ZINC000377932281 330252980 /nfs/dbraw/zinc/25/29/80/330252980.db2.gz OEKKYTXHUKKCDX-MJGOQNOKSA-N 1 0 369.513 2.469 20 30 FEEDRO C=C(C[NH+](C)C)C(=O)N1CCCC[C@@H]1COC(=O)N1CCC(C)CC1 ZINC000804651078 674295514 /nfs/dbraw/zinc/29/55/14/674295514.db2.gz GVVBZRZHVNFRNQ-QGZVFWFLSA-N 1 0 351.491 2.354 20 30 FEEDRO C=C(C[NH+](C)C)C(=O)N1CCCC[C@H]1COC(=O)N1CCC[C@H](C)C1 ZINC000804664647 674296265 /nfs/dbraw/zinc/29/62/65/674296265.db2.gz OAUCBNRLXCQWOX-RDJZCZTQSA-N 1 0 351.491 2.354 20 30 FEEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1)CC2 ZINC000554991231 674344656 /nfs/dbraw/zinc/34/46/56/674344656.db2.gz SKTDFHQFQGZUOD-GDBMZVCRSA-N 1 0 362.476 2.031 20 30 FEEDRO C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000805795835 674354613 /nfs/dbraw/zinc/35/46/13/674354613.db2.gz XBDBYQRNYHPZCT-HNAYVOBHSA-N 1 0 351.491 2.400 20 30 FEEDRO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)CNc2cccc(C#N)c2)cc1 ZINC000155444486 545527231 /nfs/dbraw/zinc/52/72/31/545527231.db2.gz BGEPXPYAIOGAHR-UHFFFAOYSA-N 1 0 365.437 2.499 20 30 FEEDRO Cc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000155963877 545587696 /nfs/dbraw/zinc/58/76/96/545587696.db2.gz SPXXHJBGWAVCTL-LPHOPBHVSA-N 1 0 366.465 2.281 20 30 FEEDRO CC[NH+](CC)CCN(CCOC)S(=O)(=O)c1cccc(Cl)c1C#N ZINC000157262279 545720402 /nfs/dbraw/zinc/72/04/02/545720402.db2.gz IKEZXKFEIDQJLT-UHFFFAOYSA-N 1 0 373.906 2.191 20 30 FEEDRO C[C@H]1CCC[C@@](CNC(=O)C(=O)N(C)Cc2ccc(C#N)cc2)([NH+](C)C)C1 ZINC000477963361 561157100 /nfs/dbraw/zinc/15/71/00/561157100.db2.gz NJDLBANECIUVPG-HRAATJIYSA-N 1 0 370.497 2.143 20 30 FEEDRO C#CCCCCNC(=O)C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000159117361 545923018 /nfs/dbraw/zinc/92/30/18/545923018.db2.gz WGHRETKZYLIDKD-UHFFFAOYSA-N 1 0 359.495 2.094 20 30 FEEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)NCCc3cscn3)CC2)cc1 ZINC000159227729 545932797 /nfs/dbraw/zinc/93/27/97/545932797.db2.gz RGPQIYPHPUNWAJ-UHFFFAOYSA-N 1 0 369.494 2.475 20 30 FEEDRO C=CCOc1cccc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)c1 ZINC000159423094 545951808 /nfs/dbraw/zinc/95/18/08/545951808.db2.gz MPQORFOABBVLMG-INIZCTEOSA-N 1 0 359.470 2.284 20 30 FEEDRO C=CCNc1ncc(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)s1 ZINC000159446393 545953928 /nfs/dbraw/zinc/95/39/28/545953928.db2.gz GWKNFWBWRKXUBB-CABCVRRESA-N 1 0 364.515 2.239 20 30 FEEDRO C[NH+]=C(NCC(=O)Nc1cccc(F)c1)N1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000160117434 546009283 /nfs/dbraw/zinc/00/92/83/546009283.db2.gz MJHCIKXUTBXNIU-YOEHRIQHSA-N 1 0 372.448 2.119 20 30 FEEDRO C[NH+]=C(NC[C@H](C)c1c(C)noc1C)N1CCN(C(=O)c2ccco2)CC1 ZINC000161117427 546102084 /nfs/dbraw/zinc/10/20/84/546102084.db2.gz NYVWFYICKDJIOL-ZDUSSCGKSA-N 1 0 373.457 2.021 20 30 FEEDRO COc1ccccc1CNC(=[NH2+])NCc1cccc(N2CCCC2=O)c1 ZINC000170904678 546181514 /nfs/dbraw/zinc/18/15/14/546181514.db2.gz IXZKXEZKAAMGON-UHFFFAOYSA-N 1 0 352.438 2.427 20 30 FEEDRO COc1ccc(CCNC(=[NH2+])NC[C@@H](O)c2cccc(F)c2)cc1OC ZINC000170911687 546181886 /nfs/dbraw/zinc/18/18/86/546181886.db2.gz UTWOAMWFZWTZGZ-MRXNPFEDSA-N 1 0 361.417 2.023 20 30 FEEDRO N#Cc1ccc(C(=O)NCC(=O)N2CC[NH+](CC3CCCCC3)CC2)cc1 ZINC000171115086 546191960 /nfs/dbraw/zinc/19/19/60/546191960.db2.gz SHCJRFCHDWBYTF-UHFFFAOYSA-N 1 0 368.481 2.013 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)Nc2cc(-c3ccccc3C)nn2CCO)CC1 ZINC000171230267 546198715 /nfs/dbraw/zinc/19/87/15/546198715.db2.gz SWJXQSOGZORLEM-UHFFFAOYSA-N 1 0 366.465 2.135 20 30 FEEDRO C[NH+]=C(NCc1ccco1)NC[C@@H](c1ccc(OC)c(OC)c1)N(C)C ZINC000171408595 546207762 /nfs/dbraw/zinc/20/77/62/546207762.db2.gz CHYIYLJMNJFCAB-INIZCTEOSA-N 1 0 360.458 2.265 20 30 FEEDRO CN1CCC([NH+]2CCC(NC(=O)NCc3ccc(C#N)cc3F)CC2)CC1 ZINC000171485491 546211795 /nfs/dbraw/zinc/21/17/95/546211795.db2.gz JQCNSYCGJDMZET-UHFFFAOYSA-N 1 0 373.476 2.055 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)Nc2cccc(NC(=O)[C@H](C)OC)c2)CC1 ZINC000171636930 546217766 /nfs/dbraw/zinc/21/77/66/546217766.db2.gz HEARJASUSBRFOB-AWEZNQCLSA-N 1 0 360.458 2.432 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)CNC(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000171725694 546221499 /nfs/dbraw/zinc/22/14/99/546221499.db2.gz AXABKDFXQJAXKV-UHFFFAOYSA-N 1 0 369.387 2.202 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H](c2nnc(C)[nH]2)c2ccccc2)CC1 ZINC000171737884 546222949 /nfs/dbraw/zinc/22/29/49/546222949.db2.gz RHKRDECCCLYPHT-QGZVFWFLSA-N 1 0 354.458 2.152 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N2CCC(C(=O)N(C)CCCC)CC2)CC1 ZINC000171740995 546223084 /nfs/dbraw/zinc/22/30/84/546223084.db2.gz RUGKNOFJWUTLHL-UHFFFAOYSA-N 1 0 364.534 2.317 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N(C)Cc2ccccc2N2CCOCC2)CC1 ZINC000171740164 546223713 /nfs/dbraw/zinc/22/37/13/546223713.db2.gz MHJGPNJNYPJNQR-UHFFFAOYSA-N 1 0 372.513 2.315 20 30 FEEDRO O=C(NCC[NH+]1CCCC1)C(=O)Nc1cccc(C#Cc2ccccc2)c1 ZINC000172303737 546246074 /nfs/dbraw/zinc/24/60/74/546246074.db2.gz COGGAHXWUICXBY-UHFFFAOYSA-N 1 0 361.445 2.237 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)c2ccc(Cl)c(N3CCNC3=O)c2)CC1 ZINC000173101833 546272999 /nfs/dbraw/zinc/27/29/99/546272999.db2.gz YQYOPKSPTHDOGW-UHFFFAOYSA-N 1 0 362.861 2.250 20 30 FEEDRO N#CCCN(C(=O)C[N@H+]1CCC[C@@H](CC(N)=O)C1)c1cccc(Cl)c1 ZINC000175311387 546308581 /nfs/dbraw/zinc/30/85/81/546308581.db2.gz SGHPMOMXTISFKM-AWEZNQCLSA-N 1 0 362.861 2.174 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)Nc1ccc(F)cc1C#N)C(C)C ZINC000175950332 546377824 /nfs/dbraw/zinc/37/78/24/546377824.db2.gz MRTIYYUTMMYPDS-SFHVURJKSA-N 1 0 372.444 2.451 20 30 FEEDRO C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)NCc1cccc(C#N)c1 ZINC000176043146 546396013 /nfs/dbraw/zinc/39/60/13/546396013.db2.gz YXMBVDNHLPHIJQ-UHFFFAOYSA-N 1 0 351.410 2.040 20 30 FEEDRO COc1cc(/C=C/C(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)ccc1OCC#N ZINC000177056193 546534175 /nfs/dbraw/zinc/53/41/75/546534175.db2.gz PBCHDOUFBMYINL-GBYWQYLPSA-N 1 0 355.438 2.352 20 30 FEEDRO C[C@@H](NC(=O)c1cc(C#N)cn1C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000177077011 546540699 /nfs/dbraw/zinc/54/06/99/546540699.db2.gz RYCWMNCZERMYGU-CQSZACIVSA-N 1 0 369.444 2.279 20 30 FEEDRO C[NH+](C)CC1CCC(NS(=O)(=O)Cc2ccc(C#N)cc2F)CC1 ZINC000480718384 561215245 /nfs/dbraw/zinc/21/52/45/561215245.db2.gz ODJKDJZFZQPPDH-UHFFFAOYSA-N 1 0 353.463 2.237 20 30 FEEDRO COC(=O)[C@@]1(C)CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000177422108 546613273 /nfs/dbraw/zinc/61/32/73/546613273.db2.gz CXVYYJZUCDYJCN-SFHVURJKSA-N 1 0 361.467 2.322 20 30 FEEDRO C(=[NH+]/OCc1nnnn1-c1ccccc1)\c1ccc(N2CCOCC2)cc1 ZINC000177537764 546639961 /nfs/dbraw/zinc/63/99/61/546639961.db2.gz GQDGZFLPKDRNRK-XSFVSMFZSA-N 1 0 364.409 2.050 20 30 FEEDRO CC1CC[NH+](CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)CC1 ZINC000177755821 546681063 /nfs/dbraw/zinc/68/10/63/546681063.db2.gz ZGRCFZKJIIUKJL-IBGZPJMESA-N 1 0 358.461 2.266 20 30 FEEDRO CCC(CC)(CNC(=O)Cn1cnc(C#N)n1)[NH2+][C@@H](C)c1ccccc1 ZINC000178579268 546815104 /nfs/dbraw/zinc/81/51/04/546815104.db2.gz DXNCMLVMZZKVFN-HNNXBMFYSA-N 1 0 354.458 2.176 20 30 FEEDRO C[N@@H+](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)C[C@@H]1CCOC1 ZINC000178787999 546849864 /nfs/dbraw/zinc/84/98/64/546849864.db2.gz MCRVXMYHVNQMHS-HNNXBMFYSA-N 1 0 354.372 2.141 20 30 FEEDRO C[C@@H](C#N)Oc1ccc(C[NH+]2CCC(C(=O)N3CCOCC3)CC2)cc1 ZINC000179689384 546999031 /nfs/dbraw/zinc/99/90/31/546999031.db2.gz QMFKNJOUIOZFFQ-INIZCTEOSA-N 1 0 357.454 2.048 20 30 FEEDRO C[C@H]([NH2+]CC(=O)N(CCC#N)CCC#N)c1ccc(NC(=O)C2CC2)cc1 ZINC000179780774 547012729 /nfs/dbraw/zinc/01/27/29/547012729.db2.gz YHCMLXJUTAPBRC-HNNXBMFYSA-N 1 0 367.453 2.342 20 30 FEEDRO CC(C)CN1CCO[C@H](C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000180033834 547041608 /nfs/dbraw/zinc/04/16/08/547041608.db2.gz MEYYJNGMJKPTCP-HXUWFJFHSA-N 1 0 367.497 2.405 20 30 FEEDRO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)c2ccc(C3(C#N)CC3)cc2)CC1 ZINC000180513179 547121823 /nfs/dbraw/zinc/12/18/23/547121823.db2.gz YZGDEPOICPBIMX-INIZCTEOSA-N 1 0 355.482 2.407 20 30 FEEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[NH2+][C@H](CO)C(C)C)c1C#N ZINC000180610167 547141934 /nfs/dbraw/zinc/14/19/34/547141934.db2.gz FKBUNGVESYJWST-QGZVFWFLSA-N 1 0 358.442 2.163 20 30 FEEDRO CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000181272490 547283628 /nfs/dbraw/zinc/28/36/28/547283628.db2.gz ZYMHSQNCAWYDJP-KUHUBIRLSA-N 1 0 358.442 2.348 20 30 FEEDRO C[C@@H]([NH2+]CC(=O)N(CCC#N)CCC#N)c1cccc(N2CCCC2=O)c1 ZINC000181446674 547316574 /nfs/dbraw/zinc/31/65/74/547316574.db2.gz QRFXBOXGRXWVKA-MRXNPFEDSA-N 1 0 367.453 2.120 20 30 FEEDRO C[C@@H]([NH2+]CCS(=O)(=O)NCc1ccccc1)c1ccc(OCC#N)cc1 ZINC000181588426 547341627 /nfs/dbraw/zinc/34/16/27/547341627.db2.gz AZSZYLOAGZFKKV-MRXNPFEDSA-N 1 0 373.478 2.359 20 30 FEEDRO CC[NH+]1CCC(CCNC(=O)C(=O)Nc2ccccc2O[C@H](C)C#N)CC1 ZINC000181875835 547395843 /nfs/dbraw/zinc/39/58/43/547395843.db2.gz FSVVDBXYNFTITL-OAHLLOKOSA-N 1 0 372.469 2.154 20 30 FEEDRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]CCOc2ccccc2C#N)c1 ZINC000181944370 547411614 /nfs/dbraw/zinc/41/16/14/547411614.db2.gz ZWLVJPIJJDXVOW-CQSZACIVSA-N 1 0 359.451 2.196 20 30 FEEDRO CCO[C@@H]1COCC[C@H]1[NH2+]CC(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000484649600 561302402 /nfs/dbraw/zinc/30/24/02/561302402.db2.gz ROTWGCAMKQUSIS-RTBURBONSA-N 1 0 359.470 2.334 20 30 FEEDRO CCO[C@H]1COCC[C@@H]1[NH2+]CC(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000484649598 561302405 /nfs/dbraw/zinc/30/24/05/561302405.db2.gz ROTWGCAMKQUSIS-OALUTQOASA-N 1 0 359.470 2.334 20 30 FEEDRO CCN(CC(=O)N[C@](C)(C#N)C1CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000183759156 547714593 /nfs/dbraw/zinc/71/45/93/547714593.db2.gz KTTXIBYVBHUOFX-TZIWHRDSSA-N 1 0 354.498 2.391 20 30 FEEDRO N#Cc1ccc(N2CCC[C@H]([N@@H+]3CCOCC4(CCOCC4)C3)C2=O)cc1 ZINC000184106007 547770702 /nfs/dbraw/zinc/77/07/02/547770702.db2.gz SXZNZCNSCMMITL-IBGZPJMESA-N 1 0 369.465 2.183 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1 ZINC000184601379 547852729 /nfs/dbraw/zinc/85/27/29/547852729.db2.gz WQBARKKWFTVMGE-UHFFFAOYSA-N 1 0 365.441 2.301 20 30 FEEDRO COc1cccc(-c2noc([C@H](C)NCCC(=O)N(C)CCC#N)n2)c1 ZINC000185126438 547936847 /nfs/dbraw/zinc/93/68/47/547936847.db2.gz CIVJCTRWLNDKSL-ZDUSSCGKSA-N 1 0 357.414 2.158 20 30 FEEDRO C=CCOc1cc(OC)ccc1C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000185202087 547950521 /nfs/dbraw/zinc/95/05/21/547950521.db2.gz ZKOBUAAZGUCRDA-INIZCTEOSA-N 1 0 360.454 2.054 20 30 FEEDRO COc1cc(C#N)ccc1S(=O)(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000185463035 547988856 /nfs/dbraw/zinc/98/88/56/547988856.db2.gz MYZCBBBELPWPGA-GASCZTMLSA-N 1 0 365.499 2.213 20 30 FEEDRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)N[C@H](CCC#N)c1ccccc1 ZINC000185883375 548052228 /nfs/dbraw/zinc/05/22/28/548052228.db2.gz PDCFCPOQHFJNFQ-IEBWSBKVSA-N 1 0 357.502 2.357 20 30 FEEDRO COc1ccc(CCNC(=[NH2+])NCC[C@](C)(O)c2ccccc2)cc1OC ZINC000186890479 548213330 /nfs/dbraw/zinc/21/33/30/548213330.db2.gz WOHRKPWCGXPIHS-NRFANRHFSA-N 1 0 371.481 2.448 20 30 FEEDRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)CSCc1ccc(C#N)cc1 ZINC000186892708 548213726 /nfs/dbraw/zinc/21/37/26/548213726.db2.gz BFVQRVKETVVGDG-OAHLLOKOSA-N 1 0 361.511 2.095 20 30 FEEDRO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+](C)CC2(c3ccccc3)CC2)CC1 ZINC000189287812 548298742 /nfs/dbraw/zinc/29/87/42/548298742.db2.gz JMMIJYGKPUPXPO-HXUWFJFHSA-N 1 0 368.525 2.342 20 30 FEEDRO C=CCSc1ccccc1NC(=O)CN1CC[N@@H+](C[C@@H](C)O)C[C@@H]1C ZINC000189560271 548304843 /nfs/dbraw/zinc/30/48/43/548304843.db2.gz RZKDRKCHTKICQT-JKSUJKDBSA-N 1 0 363.527 2.290 20 30 FEEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CC[NH+]2CCC1CC2 ZINC000189791420 548311619 /nfs/dbraw/zinc/31/16/19/548311619.db2.gz OCRLMQOTHNVRJR-AWEZNQCLSA-N 1 0 372.494 2.183 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)Nc1ncc(CC)s1)C(C)C ZINC000190318426 548322346 /nfs/dbraw/zinc/32/23/46/548322346.db2.gz PYEBTUIIFHDOFN-HNNXBMFYSA-N 1 0 364.515 2.459 20 30 FEEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 ZINC000192108494 548358592 /nfs/dbraw/zinc/35/85/92/548358592.db2.gz FIOAXTQUGUZWTI-COLVAYQJSA-N 1 0 369.824 2.299 20 30 FEEDRO CC(C)[C@H](C#N)N1CCN(C(=O)C[NH2+][C@@H]2CCCc3c(O)cccc32)CC1 ZINC000192368959 548362596 /nfs/dbraw/zinc/36/25/96/548362596.db2.gz ZOXUAULWDVUPIG-MOPGFXCFSA-N 1 0 370.497 2.052 20 30 FEEDRO CC[NH+](CC)CCN(CCOC)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192614777 548367872 /nfs/dbraw/zinc/36/78/72/548367872.db2.gz YGZFFGVQJKGIFK-HXUWFJFHSA-N 1 0 372.513 2.344 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(C(F)(F)F)cn2)CC1 ZINC000193203981 548382263 /nfs/dbraw/zinc/38/22/63/548382263.db2.gz VNYXEYBNUJEZFU-UHFFFAOYSA-N 1 0 370.375 2.196 20 30 FEEDRO Cc1cc(N(CCC#N)C(=O)C[NH2+][C@@H]2C(=O)NCC[C@@H]2C)ccc1Cl ZINC000193621762 548391812 /nfs/dbraw/zinc/39/18/12/548391812.db2.gz OEFIQQGGGYDFLB-SJCJKPOMSA-N 1 0 362.861 2.009 20 30 FEEDRO N#CCCn1ccc(NC(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000193842538 548398539 /nfs/dbraw/zinc/39/85/39/548398539.db2.gz DKKIGQKPFZJXCF-KRWDZBQOSA-N 1 0 352.442 2.440 20 30 FEEDRO C[C@@H](C(=O)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1cccc(C#N)c1 ZINC000486623508 561352688 /nfs/dbraw/zinc/35/26/88/561352688.db2.gz LXCOOYZCOOGIIE-IIBYNOLFSA-N 1 0 363.461 2.197 20 30 FEEDRO CCOC(=O)[C@@]1(C(C)C)CC[N@H+](C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000194859054 548540850 /nfs/dbraw/zinc/54/08/50/548540850.db2.gz ANIBDNZSHUZALP-PXNSSMCTSA-N 1 0 360.454 2.209 20 30 FEEDRO N#Cc1ccc(CN2CC[C@H]([NH2+]Cc3cc(-c4cccnc4)n[nH]3)C2=O)cc1 ZINC000486887781 561359042 /nfs/dbraw/zinc/35/90/42/561359042.db2.gz STZFFXWAIHAELW-IBGZPJMESA-N 1 0 372.432 2.234 20 30 FEEDRO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@H](C(=O)NCCC)C1 ZINC000195316071 548621293 /nfs/dbraw/zinc/62/12/93/548621293.db2.gz GQHQAGSQOYVVLX-OALUTQOASA-N 1 0 360.498 2.393 20 30 FEEDRO Cc1cc(F)ccc1CN(C)CC(=O)N1CCN([C@H](C#N)C(C)C)CC1 ZINC000487987759 561380637 /nfs/dbraw/zinc/38/06/37/561380637.db2.gz LAULZIOFMROIBU-LJQANCHMSA-N 1 0 360.477 2.258 20 30 FEEDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)Cc2cccc(OCC#N)c2)[C@@H](C)C1 ZINC000245548554 548944972 /nfs/dbraw/zinc/94/49/72/548944972.db2.gz FTYQMZBEEIRKPQ-FXAWDEMLSA-N 1 0 373.497 2.385 20 30 FEEDRO C[C@H](C(=O)Nc1ccccc1C#N)N1CC[C@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000245583218 548951471 /nfs/dbraw/zinc/95/14/71/548951471.db2.gz DDMFEKWVWDWQCO-OGWOLHLISA-N 1 0 366.465 2.361 20 30 FEEDRO Cc1nc(N2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)ccc1C#N ZINC000488060022 561382586 /nfs/dbraw/zinc/38/25/86/561382586.db2.gz VKVUBGPBKLZAKA-UHFFFAOYSA-N 1 0 357.502 2.182 20 30 FEEDRO CN1CC[C@H](NS(=O)(=O)CCCCC#N)[C@H]1c1ccc(F)c(F)c1 ZINC000245701824 548978751 /nfs/dbraw/zinc/97/87/51/548978751.db2.gz QXHNYWVNLUMBKK-JKSUJKDBSA-N 1 0 357.426 2.323 20 30 FEEDRO C[C@@H]1C[C@H](C)C[N@@H+](CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)C1 ZINC000245882577 549009508 /nfs/dbraw/zinc/00/95/08/549009508.db2.gz NXSJCTAZJPIYRJ-IXDOHACOSA-N 1 0 360.527 2.435 20 30 FEEDRO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000246198745 549076268 /nfs/dbraw/zinc/07/62/68/549076268.db2.gz PBRHPLSUSVVISJ-CABCVRRESA-N 1 0 353.875 2.459 20 30 FEEDRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)Nc2ccc(CC#N)cc2)CC1=O ZINC000246554905 549161867 /nfs/dbraw/zinc/16/18/67/549161867.db2.gz YPYHNTUFIGNXRQ-FUHWJXTLSA-N 1 0 354.454 2.024 20 30 FEEDRO C=CCc1ccccc1OC[C@H](O)C[NH+]1CCC(Oc2cnccn2)CC1 ZINC000488739896 561395724 /nfs/dbraw/zinc/39/57/24/561395724.db2.gz XHHNYEZHIQPULZ-GOSISDBHSA-N 1 0 369.465 2.488 20 30 FEEDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)Nc2ccn(CCC#N)n2)[C@@H](C)C1 ZINC000246820953 549220620 /nfs/dbraw/zinc/22/06/20/549220620.db2.gz XEONCBTXNDPEIC-HOTGVXAUSA-N 1 0 362.478 2.055 20 30 FEEDRO C[NH+]=C(NCc1ccco1)NC[C@H](c1cccs1)N1CCO[C@@H](C)C1 ZINC000246946958 549248005 /nfs/dbraw/zinc/24/80/05/549248005.db2.gz PBRMKLPJIBTTRC-GOEBONIOSA-N 1 0 362.499 2.468 20 30 FEEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cnn(-c3ncccc3C#N)c2)[C@@H](C)C1 ZINC000248387910 549426359 /nfs/dbraw/zinc/42/63/59/549426359.db2.gz CIAWMWQPOSYHNH-WMLDXEAASA-N 1 0 367.457 2.333 20 30 FEEDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2S(=O)(=O)c2ccc(C#N)cc2Cl)C1 ZINC000248544745 549454744 /nfs/dbraw/zinc/45/47/44/549454744.db2.gz IYIBUQSGIWFPQX-ZFWWWQNUSA-N 1 0 353.875 2.316 20 30 FEEDRO C=CC[C@H](CO)NC(=O)NCc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000248577670 549461911 /nfs/dbraw/zinc/46/19/11/549461911.db2.gz NUQYFJRDRXPPKW-JTDSTZFVSA-N 1 0 361.486 2.032 20 30 FEEDRO CC[C@@H]1CN(CC(=O)N[C@](C)(C#N)C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000248715020 549489491 /nfs/dbraw/zinc/48/94/91/549489491.db2.gz FLPLFARFYPXSNO-TZIWHRDSSA-N 1 0 354.498 2.391 20 30 FEEDRO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000249042545 549541739 /nfs/dbraw/zinc/54/17/39/549541739.db2.gz NJQFIVQQADGITH-PUECVXPYSA-N 1 0 351.397 2.393 20 30 FEEDRO CCOCCC[N@@H+]1CC[C@H](N[C@@H](C(=O)OC)c2cccc(C#N)c2)[C@H](C)C1 ZINC000249450335 549593511 /nfs/dbraw/zinc/59/35/11/549593511.db2.gz OFMKHPYOZUMOPA-LSTHTHJFSA-N 1 0 373.497 2.499 20 30 FEEDRO C[NH+](C)[C@@H]1CCN(c2ccc(NC(=O)c3cccc(F)c3C#N)nc2)C1 ZINC000489744811 561418222 /nfs/dbraw/zinc/41/82/22/561418222.db2.gz XMJRXAZSNZBRCT-CQSZACIVSA-N 1 0 353.401 2.485 20 30 FEEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)N[C@@H]3CCC[C@H]3CCO)CC2)cc1 ZINC000251842291 549654567 /nfs/dbraw/zinc/65/45/67/549654567.db2.gz OAQMYAZDCAOOBD-VQTJNVASSA-N 1 0 370.497 2.327 20 30 FEEDRO C[NH+]=C(NCCn1cc([N+](=O)[O-])cn1)N[C@H]1CC(C)(C)Oc2ccccc21 ZINC000261934130 549771047 /nfs/dbraw/zinc/77/10/47/549771047.db2.gz CAPDYUNMNKVVHA-HNNXBMFYSA-N 1 0 372.429 2.259 20 30 FEEDRO CC[NH+]=C(NC[C@@H]1C[N@H+](C)CCN1C)N[C@H]1CC(C)(C)Oc2ccccc21 ZINC000261965016 549774595 /nfs/dbraw/zinc/77/45/95/549774595.db2.gz LETLMJQWLWXMMB-AEFFLSMTSA-N 1 0 373.545 2.090 20 30 FEEDRO C[NH+]=C(NCc1nnc(C)n1C)N1CC[C@H](Oc2ccccc2Cl)C1 ZINC000261985799 549777463 /nfs/dbraw/zinc/77/74/63/549777463.db2.gz PZRCEDFDSGYHDW-ZDUSSCGKSA-N 1 0 362.865 2.006 20 30 FEEDRO C[NH+]=C(N[C@@H]1[C@H]2CCO[C@H]2C1(C)C)N[C@@H]1CCN(c2cccc(OC)c2)C1 ZINC000262384116 549816083 /nfs/dbraw/zinc/81/60/83/549816083.db2.gz KZHDUFLSTUUAJF-UTRMSSBJSA-N 1 0 372.513 2.252 20 30 FEEDRO [NH2+]=C(NCCNC(=O)c1ccccc1Cl)N[C@H]1CCOc2ccccc21 ZINC000262532540 549826408 /nfs/dbraw/zinc/82/64/08/549826408.db2.gz PWLZOLHORQWPTK-INIZCTEOSA-N 1 0 372.856 2.498 20 30 FEEDRO C[S@@](=O)Cc1ccc(CNC(=[NH2+])N[C@H]2CCOc3ccccc32)cc1 ZINC000262655385 549835639 /nfs/dbraw/zinc/83/56/39/549835639.db2.gz LLTQNBLZRKGUNJ-SSOJOUAXSA-N 1 0 357.479 2.493 20 30 FEEDRO [NH2+]=C(NC[C@H]1COc2ccccc2O1)Nc1ccc2c(c1)OCCCO2 ZINC000263249530 549889149 /nfs/dbraw/zinc/88/91/49/549889149.db2.gz OHYCXRDWDKFXPW-AWEZNQCLSA-N 1 0 355.394 2.415 20 30 FEEDRO CC(C)(C)OC(=O)C1CC[NH+](C[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC000263894841 549951806 /nfs/dbraw/zinc/95/18/06/549951806.db2.gz WKIZEMHEVJOGRO-QGZVFWFLSA-N 1 0 360.454 2.352 20 30 FEEDRO C[NH+]=C(NCCC(=O)Nc1cc(Br)ccc1C)NC1CC1 ZINC000264068413 549974850 /nfs/dbraw/zinc/97/48/50/549974850.db2.gz RBFORODYECURBE-UHFFFAOYSA-N 1 0 353.264 2.414 20 30 FEEDRO CCOC(=O)N1CCC(NC(=[NH2+])NC[C@H](C)N(C)c2ccccc2)CC1 ZINC000264092913 549978616 /nfs/dbraw/zinc/97/86/16/549978616.db2.gz LQFOKRCRZHUWRR-HNNXBMFYSA-N 1 0 361.490 2.037 20 30 FEEDRO CCOC(=O)N1CCC(NC(=[NH2+])NCCc2cccc(Cl)c2)CC1 ZINC000264113785 549980802 /nfs/dbraw/zinc/98/08/02/549980802.db2.gz PHQCCWXRTQABDE-UHFFFAOYSA-N 1 0 352.866 2.408 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)NCCCOc2cccc3cccnc32)CC1 ZINC000264127608 549982911 /nfs/dbraw/zinc/98/29/11/549982911.db2.gz IMLDYKOTSSNSEV-UHFFFAOYSA-N 1 0 351.450 2.465 20 30 FEEDRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)NCC#Cc2ccccc2)CC1 ZINC000264285120 549993564 /nfs/dbraw/zinc/99/35/64/549993564.db2.gz SONQRFVNTWDLKQ-WOJBJXKFSA-N 1 0 368.525 2.238 20 30 FEEDRO CC[NH+](CC)CCOc1ccc(CNS(=O)(=O)CCCC#N)cc1 ZINC000264765719 550000976 /nfs/dbraw/zinc/00/09/76/550000976.db2.gz PQGRNVRLRNOTSE-UHFFFAOYSA-N 1 0 353.488 2.130 20 30 FEEDRO N#CCCn1cc(CNC[C@@H](O)C[NH+]2CCCC2)c(-c2ccccc2)n1 ZINC000264936433 550004331 /nfs/dbraw/zinc/00/43/31/550004331.db2.gz DFARIURIUQBRNO-LJQANCHMSA-N 1 0 353.470 2.010 20 30 FEEDRO CCN(CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1)C[C@@H]1CCCO1 ZINC000265137669 550006657 /nfs/dbraw/zinc/00/66/57/550006657.db2.gz PBSRJZQTGGZFAF-DZGCQCFKSA-N 1 0 354.410 2.013 20 30 FEEDRO CCc1nc(C(=O)N(CCC#N)CCC[NH+](C)C)nn1-c1ccccc1 ZINC000265613581 550012574 /nfs/dbraw/zinc/01/25/74/550012574.db2.gz XSGKDMFZMBNLND-UHFFFAOYSA-N 1 0 354.458 2.137 20 30 FEEDRO COCC[N@@H+]1CC[C@@H](NC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC000265697243 550013406 /nfs/dbraw/zinc/01/34/06/550013406.db2.gz HBPXBGUVQJIJPY-MRXNPFEDSA-N 1 0 369.387 2.077 20 30 FEEDRO N#Cc1c(N)n(-c2ccccc2)nc1CCCNC(=[NH2+])NC1CCCC1 ZINC000267388688 550030483 /nfs/dbraw/zinc/03/04/83/550030483.db2.gz CICHQUUCVCHDDX-UHFFFAOYSA-N 1 0 351.458 2.106 20 30 FEEDRO COc1ccccc1CNC(=[NH2+])NCc1ccnc(OC2CCOCC2)c1 ZINC000267445331 550031821 /nfs/dbraw/zinc/03/18/21/550031821.db2.gz PWVQBSXTUCDYMK-UHFFFAOYSA-N 1 0 370.453 2.253 20 30 FEEDRO CCOC(=O)N1CCC(NC(=[NH2+])NC[C@@H](C)Oc2ccccc2F)CC1 ZINC000267447473 550031897 /nfs/dbraw/zinc/03/18/97/550031897.db2.gz QIZYCNYOUXRMNO-CYBMUJFWSA-N 1 0 366.437 2.118 20 30 FEEDRO N#Cc1ccc(/C=C/C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000269048045 550148619 /nfs/dbraw/zinc/14/86/19/550148619.db2.gz ADFZAFSHWFMNMD-JNTVOPSESA-N 1 0 353.466 2.456 20 30 FEEDRO COc1ccc(C#N)cc1NC(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000269103524 550155748 /nfs/dbraw/zinc/15/57/48/550155748.db2.gz GOHDRRPUVSXXKS-DLBZAZTESA-N 1 0 358.442 2.066 20 30 FEEDRO N#Cc1ccc(C[NH2+]CC2CCN(S(=O)(=O)C(F)F)CC2)c(F)c1 ZINC000269434701 550195543 /nfs/dbraw/zinc/19/55/43/550195543.db2.gz QRXCVTSTPXIVND-UHFFFAOYSA-N 1 0 361.389 2.051 20 30 FEEDRO CC(C)[NH+]1CCC(N2CCN(C(=O)c3cccc(CC#N)c3)CC2)CC1 ZINC000269553968 550205905 /nfs/dbraw/zinc/20/59/05/550205905.db2.gz YNLRENVMLQUTPJ-UHFFFAOYSA-N 1 0 354.498 2.383 20 30 FEEDRO CO/N=C/c1ccc(C(=O)Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)cn2)cc1 ZINC000269704686 550218660 /nfs/dbraw/zinc/21/86/60/550218660.db2.gz QLIRYPWKLAKQCU-FNLSEGDXSA-N 1 0 367.453 2.455 20 30 FEEDRO COc1ccc(NC(=[NH2+])NC[C@H]2CC(=O)N(Cc3ccccc3)C2)cc1 ZINC000270441845 550272843 /nfs/dbraw/zinc/27/28/43/550272843.db2.gz RPWHDXPTHIEPIR-MRXNPFEDSA-N 1 0 352.438 2.471 20 30 FEEDRO CS[C@H]1CN(CC(=O)Nc2cc(Cl)ccc2C#N)C[C@H]1[NH+](C)C ZINC000270639245 550291705 /nfs/dbraw/zinc/29/17/05/550291705.db2.gz ITWQELBXBHOJRA-CABCVRRESA-N 1 0 352.891 2.128 20 30 FEEDRO C=CC[C@H](C)[C@@H](C)[NH2+]Cc1ccc(CS(=O)(=O)CC(=O)OC)cc1 ZINC000271530240 550382739 /nfs/dbraw/zinc/38/27/39/550382739.db2.gz RXYLZRWZBOIGBF-LSDHHAIUSA-N 1 0 353.484 2.465 20 30 FEEDRO C#CC[C@H]([NH2+]CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1)c1ccccc1 ZINC000271716472 550396914 /nfs/dbraw/zinc/39/69/14/550396914.db2.gz PEDRDDYZCGDTCY-PMACEKPBSA-N 1 0 352.482 2.033 20 30 FEEDRO C#CC[C@H]([NH2+]CC(=O)N1CCC(C(=O)N(C)C(C)C)CC1)c1ccccc1 ZINC000271726565 550397721 /nfs/dbraw/zinc/39/77/21/550397721.db2.gz RILFDIYDUOKTQP-FQEVSTJZSA-N 1 0 369.509 2.446 20 30 FEEDRO C[C@H]([NH2+]CCCN1CCC[C@H]1C(=O)N(C)C)c1ccc(OCC#N)cc1 ZINC000271809832 550403390 /nfs/dbraw/zinc/40/33/90/550403390.db2.gz AQGFYSOOLXWGGY-LPHOPBHVSA-N 1 0 358.486 2.182 20 30 FEEDRO C#CCC[NH+]1CCN(C[C@H](O)CO[C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000272004600 550415819 /nfs/dbraw/zinc/41/58/19/550415819.db2.gz INOWDCXHOLROAN-LPHOPBHVSA-N 1 0 350.890 2.419 20 30 FEEDRO Cc1cc(NC(=O)NCC2([NH+](C)C)Cc3ccccc3C2)nn1CCC#N ZINC000272014344 550416353 /nfs/dbraw/zinc/41/63/53/550416353.db2.gz BFPHMMZHMNQQBX-UHFFFAOYSA-N 1 0 366.469 2.326 20 30 FEEDRO Cc1cc(NC(=O)NCc2ccc(OCC[NH+](C)C)cc2)nn1CCC#N ZINC000272078219 550421056 /nfs/dbraw/zinc/42/10/56/550421056.db2.gz LFDSNDINFQYHTR-UHFFFAOYSA-N 1 0 370.457 2.367 20 30 FEEDRO Cc1cc(NC(=O)NC2CC[NH+](Cc3ccncc3)CC2)nn1CCC#N ZINC000272113416 550423463 /nfs/dbraw/zinc/42/34/63/550423463.db2.gz QVDGQUMSGVHPSK-UHFFFAOYSA-N 1 0 367.457 2.286 20 30 FEEDRO C=CCS(=O)(=O)CC[NH2+][C@H]1CCc2cc(Br)ccc2C1 ZINC000272797223 550471354 /nfs/dbraw/zinc/47/13/54/550471354.db2.gz AVCJROIXMNZPLX-HNNXBMFYSA-N 1 0 358.301 2.497 20 30 FEEDRO C=CCN(CC=C)C(=O)C[NH2+][C@@H](CO)c1ccc(Br)cc1 ZINC000273145496 550487101 /nfs/dbraw/zinc/48/71/01/550487101.db2.gz VPOWPXWQKKXWGI-HNNXBMFYSA-N 1 0 353.260 2.273 20 30 FEEDRO C=CCN(C(=O)CC[C@@H]1CCC[NH2+]1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000494531555 561471200 /nfs/dbraw/zinc/47/12/00/561471200.db2.gz ZRUOQCTUFMKLTC-RDJZCZTQSA-N 1 0 354.458 2.270 20 30 FEEDRO C=C(C)[C@@H](Cc1nc(-c2cc(N3CC[NH+](C)CC3)ccn2)no1)OCC ZINC000273886131 550514840 /nfs/dbraw/zinc/51/48/40/550514840.db2.gz RWLQMOPVEYGFBN-QGZVFWFLSA-N 1 0 357.458 2.407 20 30 FEEDRO C#CCC(C)(C)C(=O)N1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000274354697 550534345 /nfs/dbraw/zinc/53/43/45/550534345.db2.gz QBMBFVUXHRKGDF-UHFFFAOYSA-N 1 0 357.498 2.325 20 30 FEEDRO C#CCCN1CCN(C(=O)c2cnn(-c3ccccc3OC)c2CC)CC1 ZINC000274389505 550535723 /nfs/dbraw/zinc/53/57/23/550535723.db2.gz CPHSRGDKUSQFNK-UHFFFAOYSA-N 1 0 366.465 2.224 20 30 FEEDRO C[C@H](C#N)CN(C)C(=O)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000275721239 550574020 /nfs/dbraw/zinc/57/40/20/550574020.db2.gz SAIFWJDTZOTPNN-MRXNPFEDSA-N 1 0 356.470 2.272 20 30 FEEDRO CC[C@@](C)(O)C[N@H+](CC(=O)N(CCC#N)CCC#N)Cc1ccccc1 ZINC000275900351 550574992 /nfs/dbraw/zinc/57/49/92/550574992.db2.gz RNIWQILIUIILTR-HXUWFJFHSA-N 1 0 356.470 2.306 20 30 FEEDRO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NCCC[NH2+]CCOC ZINC000276383073 550578071 /nfs/dbraw/zinc/57/80/71/550578071.db2.gz BBFKFHHCLGTSQO-UHFFFAOYSA-N 1 0 361.486 2.219 20 30 FEEDRO C=CCC[N@@H+](C)CCC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000276398900 550578503 /nfs/dbraw/zinc/57/85/03/550578503.db2.gz KCWKNFITUNWFNW-UHFFFAOYSA-N 1 0 365.499 2.308 20 30 FEEDRO C[C@H]1c2nncn2CCN1CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000276811545 550598665 /nfs/dbraw/zinc/59/86/65/550598665.db2.gz NILDSPKHESYBHG-NSHDSACASA-N 1 0 356.455 2.105 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)NC[C@@]2(Cc3ccc(F)cc3)CCC[C@@H]2O)CC1 ZINC000277582456 550687525 /nfs/dbraw/zinc/68/75/25/550687525.db2.gz OOVUDJBSNZKXLD-UNMCSNQZSA-N 1 0 372.484 2.361 20 30 FEEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CC[C@@]3(CNC(=O)C3)C2)c1 ZINC000278876918 550831544 /nfs/dbraw/zinc/83/15/44/550831544.db2.gz MQPUARQKIGHWEV-DYESRHJHSA-N 1 0 368.481 2.151 20 30 FEEDRO COC[C@@H]([NH2+]CC(=O)N(CCC#N)c1cccc(Cl)c1)[C@H]1CCCO1 ZINC000279083320 550852987 /nfs/dbraw/zinc/85/29/87/550852987.db2.gz OILXHXHFUDHTSP-IAGOWNOFSA-N 1 0 365.861 2.370 20 30 FEEDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)[C@@H]1OC ZINC000279331736 550878365 /nfs/dbraw/zinc/87/83/65/550878365.db2.gz CZOOGSREGTUZPU-LMMKCTJWSA-N 1 0 355.442 2.141 20 30 FEEDRO COC(=O)C[C@@H]1CCC[N@@H+]1Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000279364487 550881899 /nfs/dbraw/zinc/88/18/99/550881899.db2.gz HWYQRWVFRJPHOL-KRWDZBQOSA-N 1 0 353.426 2.386 20 30 FEEDRO CCOC(=O)CN(Cc1cn(CCC#N)nc1-c1ccncc1)C1CC1 ZINC000279386052 550883993 /nfs/dbraw/zinc/88/39/93/550883993.db2.gz KSTKGWHLBRSPCE-UHFFFAOYSA-N 1 0 353.426 2.386 20 30 FEEDRO C=CCN1CC[C@@H]([N@H+](C)C[C@H](O)Cc2ccc(C(F)(F)F)cc2)C1=O ZINC000281379465 551090122 /nfs/dbraw/zinc/09/01/22/551090122.db2.gz OXZVEFBXBKGTDO-HZPDHXFCSA-N 1 0 356.388 2.328 20 30 FEEDRO C=CCN1CC[C@H]([N@H+](C)C[C@@H](O)COc2ccccc2C(F)(F)F)C1=O ZINC000281869022 551150971 /nfs/dbraw/zinc/15/09/71/551150971.db2.gz BZQLRAYHGIMDBB-HIFRSBDPSA-N 1 0 372.387 2.164 20 30 FEEDRO C=CCN1CC[C@H]([N@@H+]2CCC[C@H](CNC(=O)Nc3cccc(F)c3)C2)C1=O ZINC000282072514 551176702 /nfs/dbraw/zinc/17/67/02/551176702.db2.gz SXAYOUWRGBOKDZ-QAPCUYQASA-N 1 0 374.460 2.446 20 30 FEEDRO CC[NH+](CC)Cc1cccc(CNS(=O)(=O)N(C)[C@H](C)CC#N)c1 ZINC000282967434 551290854 /nfs/dbraw/zinc/29/08/54/551290854.db2.gz LATBTBHYESBBSS-OAHLLOKOSA-N 1 0 352.504 2.097 20 30 FEEDRO C=CCCCN(C)C(=O)C(=O)NC[C@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC000283217363 551330772 /nfs/dbraw/zinc/33/07/72/551330772.db2.gz AWYYHROOLFUUKJ-LJQANCHMSA-N 1 0 373.497 2.373 20 30 FEEDRO C=CCSCCNC(=O)C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000283269217 551339346 /nfs/dbraw/zinc/33/93/46/551339346.db2.gz CFJZFSJLRAIHDU-CQSZACIVSA-N 1 0 367.540 2.037 20 30 FEEDRO C[C@@H]1C[N@@H+](CCC2CCN(C(=O)c3cc(C#N)ccn3)CC2)C[C@H](C)O1 ZINC000283761562 551423428 /nfs/dbraw/zinc/42/34/28/551423428.db2.gz QCKGFJAINSSUCS-IYBDPMFKSA-N 1 0 356.470 2.305 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)S(=O)(=O)CCC(F)(F)F ZINC000283803354 551429670 /nfs/dbraw/zinc/42/96/70/551429670.db2.gz HHCMVZIKVWAALM-UHFFFAOYSA-N 1 0 363.405 2.204 20 30 FEEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000284117411 551486966 /nfs/dbraw/zinc/48/69/66/551486966.db2.gz CPUOVDRCZGVCTH-RBUKOAKNSA-N 1 0 368.481 2.040 20 30 FEEDRO CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000284412894 551544090 /nfs/dbraw/zinc/54/40/90/551544090.db2.gz XJUMOGKDKLYUJG-QRQLOZEOSA-N 1 0 364.440 2.354 20 30 FEEDRO C=CC[C@H](CO)CNC(=O)N[C@@H]1CC[N@H+](C2CC2)[C@H]1c1cccc(OC)c1 ZINC000498531159 561527131 /nfs/dbraw/zinc/52/71/31/561527131.db2.gz ZPGXDAKKACBOHA-BEVDRBHNSA-N 1 0 373.497 2.457 20 30 FEEDRO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)C(=O)NCCCCC#N)C1 ZINC000284554945 551576480 /nfs/dbraw/zinc/57/64/80/551576480.db2.gz TWWSLVQVLGIOSK-KRWDZBQOSA-N 1 0 370.497 2.345 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H](c2ccc(OC)cc2)C(C)C)CC1 ZINC000284562449 551577615 /nfs/dbraw/zinc/57/76/15/551577615.db2.gz DLWAMBZUKWROKD-LJQANCHMSA-N 1 0 373.497 2.275 20 30 FEEDRO Cn1nccc1[C@H]1[C@H]([NH2+]Cc2ccc(C#N)cc2F)CCC(=O)N1C1CC1 ZINC000284564731 551578601 /nfs/dbraw/zinc/57/86/01/551578601.db2.gz OOUHOCIRFFJSBC-YLJYHZDGSA-N 1 0 367.428 2.415 20 30 FEEDRO C[NH+]1CCC(Oc2ccc(CNC(=O)c3ccnc(C#N)c3)cc2)CC1 ZINC000284665656 551602689 /nfs/dbraw/zinc/60/26/89/551602689.db2.gz WZRIAWCRCGJBMJ-UHFFFAOYSA-N 1 0 350.422 2.356 20 30 FEEDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000498489229 561525739 /nfs/dbraw/zinc/52/57/39/561525739.db2.gz WUQCJGAEZFPKGI-UHOSZYNNSA-N 1 0 370.497 2.443 20 30 FEEDRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)Nc2ccn(CCC#N)n2)cc1 ZINC000284801100 551636909 /nfs/dbraw/zinc/63/69/09/551636909.db2.gz KMOIQCLPERTUHN-MRXNPFEDSA-N 1 0 356.430 2.230 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)Nc1cccc(Cl)n1)C(C)C ZINC000284880965 551657592 /nfs/dbraw/zinc/65/75/92/551657592.db2.gz VTMCTQRFPZMOEC-AWEZNQCLSA-N 1 0 364.877 2.488 20 30 FEEDRO CC[N@@H+]1CC[C@@H](CNC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)C1 ZINC000284920501 551667648 /nfs/dbraw/zinc/66/76/48/551667648.db2.gz ATGTVRJVKHXHPZ-INIZCTEOSA-N 1 0 358.461 2.372 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCc3c2cccc3F)CC1 ZINC000284947921 551674406 /nfs/dbraw/zinc/67/44/06/551674406.db2.gz JSGYZLWKWBIITD-GOSISDBHSA-N 1 0 359.445 2.086 20 30 FEEDRO COC(=O)c1cnoc1CN1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000285289846 551732699 /nfs/dbraw/zinc/73/26/99/551732699.db2.gz SUWQUDRQBNPAJV-UHFFFAOYSA-N 1 0 354.410 2.041 20 30 FEEDRO N#CC1(CS(=O)(=O)N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)CC1 ZINC000285425842 551754835 /nfs/dbraw/zinc/75/48/35/551754835.db2.gz WCOMJFVYKLZFGF-IBGZPJMESA-N 1 0 359.495 2.218 20 30 FEEDRO Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+]CCn1cnc(C#N)n1 ZINC000285431839 551755984 /nfs/dbraw/zinc/75/59/84/551755984.db2.gz HNTROJPIROIBBL-UHFFFAOYSA-N 1 0 357.368 2.020 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)NCC(C)(C)c2ccccc2C)CC1 ZINC000285744002 551804325 /nfs/dbraw/zinc/80/43/25/551804325.db2.gz XVRZIOKTOVAMQQ-UHFFFAOYSA-N 1 0 357.498 2.155 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)CC1 ZINC000286330772 551875126 /nfs/dbraw/zinc/87/51/26/551875126.db2.gz JTONMBLRKFXGLB-MRXNPFEDSA-N 1 0 356.445 2.290 20 30 FEEDRO COCC[NH+](CCOC)C1CCN(c2ncc(C#N)cc2Cl)CC1 ZINC000286353580 551877761 /nfs/dbraw/zinc/87/77/61/551877761.db2.gz LNFHSXFKQSHAAI-UHFFFAOYSA-N 1 0 352.866 2.170 20 30 FEEDRO C[C@@H](CNC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1)C[NH+]1CCCC1 ZINC000286370826 551879921 /nfs/dbraw/zinc/87/99/21/551879921.db2.gz JUVBFNIDBSBEEE-DOTOQJQBSA-N 1 0 358.461 2.372 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N2C[C@@H](c3ccccc3)C[C@H]2C)CC1 ZINC000286422454 551884623 /nfs/dbraw/zinc/88/46/23/551884623.db2.gz FWZJCZCMZBGQLU-AEFFLSMTSA-N 1 0 355.482 2.158 20 30 FEEDRO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@@H]1N2S(=O)(=O)c1ccc(C#N)o1 ZINC000286442967 551885729 /nfs/dbraw/zinc/88/57/29/551885729.db2.gz HZVURXGMMZMNLM-WBVHZDCISA-N 1 0 357.435 2.456 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCc2ccc(NCCC)cc2)CC1 ZINC000286669880 551912811 /nfs/dbraw/zinc/91/28/11/551912811.db2.gz OGFWBPSEIVYBGO-UHFFFAOYSA-N 1 0 372.513 2.281 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N(C)CC(C)(C)c2ccc(C)cc2)CC1 ZINC000286695545 551915722 /nfs/dbraw/zinc/91/57/22/551915722.db2.gz PRLPLFPLVOGMHY-UHFFFAOYSA-N 1 0 371.525 2.498 20 30 FEEDRO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CC[C@H](C(=O)N2CCCC2)C1 ZINC000286728645 551919496 /nfs/dbraw/zinc/91/94/96/551919496.db2.gz BLSHADSGAFUTFV-ZFWWWQNUSA-N 1 0 374.872 2.483 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCCc2c(C)cccc2C)CC1 ZINC000286754596 551922514 /nfs/dbraw/zinc/92/25/14/551922514.db2.gz SYMQTOVATRLWGL-UHFFFAOYSA-N 1 0 357.498 2.119 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)o1 ZINC000286771057 551924090 /nfs/dbraw/zinc/92/40/90/551924090.db2.gz FNZWMNSZTUXLGS-UHFFFAOYSA-N 1 0 373.478 2.480 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)Cc2ccc(C)s2)CC1 ZINC000286828936 551930589 /nfs/dbraw/zinc/93/05/89/551930589.db2.gz XBYBFVVZCTVJMN-AWEZNQCLSA-N 1 0 363.527 2.260 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N(Cc2cccc(F)c2)C2CC2)CC1 ZINC000286842908 551932480 /nfs/dbraw/zinc/93/24/80/551932480.db2.gz YGMZBJVVXKMELZ-UHFFFAOYSA-N 1 0 359.445 2.083 20 30 FEEDRO COc1ccc(CNC(=[NH2+])NCc2nccc(C(F)F)n2)cc1OC ZINC000286973258 551946362 /nfs/dbraw/zinc/94/63/62/551946362.db2.gz CDQBRMVBBAIMKU-UHFFFAOYSA-N 1 0 351.357 2.036 20 30 FEEDRO C[C@H](NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)C1CCCC1 ZINC000287209940 551976488 /nfs/dbraw/zinc/97/64/88/551976488.db2.gz DYCQUJFVWYJSKM-INIZCTEOSA-N 1 0 370.497 2.143 20 30 FEEDRO C#CCN(Cc1ccccc1)C(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000287972273 552069426 /nfs/dbraw/zinc/06/94/26/552069426.db2.gz JRNIOBSGFDVUMX-UHFFFAOYSA-N 1 0 363.461 2.391 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)Nc2nc(C(C)(C)C(=O)OCC)cs2)CC1 ZINC000288114085 552093696 /nfs/dbraw/zinc/09/36/96/552093696.db2.gz HPCJNGNDIMACEI-UHFFFAOYSA-N 1 0 363.483 2.268 20 30 FEEDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)C(=O)Nc1ccc(Cl)c(C#N)c1 ZINC000288144835 552099237 /nfs/dbraw/zinc/09/92/37/552099237.db2.gz LRMKEMOKXXSIFF-BLLLJJGKSA-N 1 0 360.845 2.235 20 30 FEEDRO C=CCCN(C)C(=O)C(=O)N[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000288202978 552110123 /nfs/dbraw/zinc/11/01/23/552110123.db2.gz OIGITDWJWBTANC-DZFIZOCASA-N 1 0 357.498 2.294 20 30 FEEDRO Cc1onc(CC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1C#N ZINC000499846598 561559693 /nfs/dbraw/zinc/55/96/93/561559693.db2.gz JZRJZOHXBOGZPA-RDTXWAMCSA-N 1 0 352.438 2.424 20 30 FEEDRO C=CCN1CC[C@H]([N@H+](C)C[C@@H](O)COc2ccc(C(C)(C)C)cc2)C1=O ZINC000499964091 561563081 /nfs/dbraw/zinc/56/30/81/561563081.db2.gz LGKUQTFMTNJUAL-MJGOQNOKSA-N 1 0 360.498 2.443 20 30 FEEDRO COCCOCC[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000289016718 552253168 /nfs/dbraw/zinc/25/31/68/552253168.db2.gz NOZDUCYTYPWPMA-UHFFFAOYSA-N 1 0 351.472 2.032 20 30 FEEDRO CC[C@@H]1CN(S(=O)(=O)c2cncc(C#N)c2)CCN1Cc1ccccc1 ZINC000289426366 552319549 /nfs/dbraw/zinc/31/95/49/552319549.db2.gz IMZKHJMLLVTVNT-GOSISDBHSA-N 1 0 370.478 2.238 20 30 FEEDRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)Nc1ccc(S(=O)(=O)[C@@H](C)C#N)cc1 ZINC000289547605 552338557 /nfs/dbraw/zinc/33/85/57/552338557.db2.gz BYYMCEGEMNNGNV-KGLIPLIRSA-N 1 0 366.487 2.223 20 30 FEEDRO CS(=O)(=O)NC[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000500506558 561575428 /nfs/dbraw/zinc/57/54/28/561575428.db2.gz DLHWSINXODONFZ-WMZOPIPTSA-N 1 0 365.499 2.177 20 30 FEEDRO CC(C)[N@H+](C)Cc1ccccc1CNS(=O)(=O)c1cncc(C#N)c1 ZINC000289816401 552383131 /nfs/dbraw/zinc/38/31/31/552383131.db2.gz NUPSCJMRTXSJFK-UHFFFAOYSA-N 1 0 358.467 2.272 20 30 FEEDRO COc1ccc(C[NH2+]C[C@@H]2CCCS(=O)(=O)C2)cc1OCCCC#N ZINC000290133649 552432578 /nfs/dbraw/zinc/43/25/78/552432578.db2.gz NFKBFZMJMBPYAH-INIZCTEOSA-N 1 0 366.483 2.292 20 30 FEEDRO COC[C@]1(CNC(=[NH2+])NCc2ccccc2OC)OCCc2ccccc21 ZINC000290685092 552519669 /nfs/dbraw/zinc/51/96/69/552519669.db2.gz QLANCGGYSDQSLC-NRFANRHFSA-N 1 0 369.465 2.214 20 30 FEEDRO CC[NH+]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCO2)CC1 ZINC000291028872 552578248 /nfs/dbraw/zinc/57/82/48/552578248.db2.gz FBMCHJHFPGRSCL-GOSISDBHSA-N 1 0 366.469 2.138 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N2CCC([C@@H](O)c3ccc(OC)cc3)CC2)CC1 ZINC000291041770 552579565 /nfs/dbraw/zinc/57/95/65/552579565.db2.gz HHKPXXBNLGCGFJ-NRFANRHFSA-N 1 0 370.493 2.312 20 30 FEEDRO C[NH+](C)Cc1ccc(C(N)=NOCc2cc(Br)no2)cc1 ZINC000291852873 552668310 /nfs/dbraw/zinc/66/83/10/552668310.db2.gz HXNQTSJNLGPJND-UHFFFAOYSA-N 1 0 353.220 2.336 20 30 FEEDRO C[C@H](c1ccccc1)[C@H]([NH2+]CCC(=O)Nc1ccc(C#N)cc1)C(N)=O ZINC000292046161 552687952 /nfs/dbraw/zinc/68/79/52/552687952.db2.gz AVMCENFWQDFFMT-KUHUBIRLSA-N 1 0 350.422 2.134 20 30 FEEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+]Cc3cnn(CC(F)F)c3)C2=O)cc1 ZINC000292815141 552760977 /nfs/dbraw/zinc/76/09/77/552760977.db2.gz WPZTVUZYZMDOOS-MRXNPFEDSA-N 1 0 359.380 2.305 20 30 FEEDRO CC[NH+](CC)Cc1ccccc1CNC(=O)C(=O)Nc1ccc(C#N)cn1 ZINC000292962843 552775178 /nfs/dbraw/zinc/77/51/78/552775178.db2.gz GAFGITRTCCMLRU-UHFFFAOYSA-N 1 0 365.437 2.050 20 30 FEEDRO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)C(=O)Nc2sccc2C#N)C1 ZINC000293164598 552794831 /nfs/dbraw/zinc/79/48/31/552794831.db2.gz TYMGOGJODRWMIS-STQMWFEESA-N 1 0 362.499 2.431 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc2nc(C3CC3)sc2c1 ZINC000293342673 552813480 /nfs/dbraw/zinc/81/34/80/552813480.db2.gz KFVKTZOPUUDPFK-UHFFFAOYSA-N 1 0 370.478 2.184 20 30 FEEDRO CN(C)c1cc(C#N)cc(C(=O)N2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000293351902 552814554 /nfs/dbraw/zinc/81/45/54/552814554.db2.gz FWBMLXOAYBLVGC-UHFFFAOYSA-N 1 0 370.497 2.341 20 30 FEEDRO CC[N@@H+](Cc1cc(C#N)n(C)c1)C[C@H](O)COc1ccc(CCOC)cc1 ZINC000293722313 552850532 /nfs/dbraw/zinc/85/05/32/552850532.db2.gz UBKPYSCXCZUWKP-FQEVSTJZSA-N 1 0 371.481 2.347 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)c1ccc(F)cc1I ZINC000293887555 552865292 /nfs/dbraw/zinc/86/52/92/552865292.db2.gz DEKPSXFHIQUWAJ-UHFFFAOYSA-N 1 0 374.197 2.115 20 30 FEEDRO N#C[C@@H]1CN(C(=O)[C@H]2COCCN2CC2CCC2)C[C@H]1c1ccccc1 ZINC000293925775 552868463 /nfs/dbraw/zinc/86/84/63/552868463.db2.gz PXGZMECXRCYFBL-HSALFYBXSA-N 1 0 353.466 2.253 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000293944903 552869739 /nfs/dbraw/zinc/86/97/39/552869739.db2.gz JLEVQSXZYMBAKW-UHFFFAOYSA-N 1 0 351.406 2.415 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)CSc1nncn1-c1ccc(C)c(C)c1 ZINC000294026216 552876195 /nfs/dbraw/zinc/87/61/95/552876195.db2.gz RCTPNGWBTHCABR-UHFFFAOYSA-N 1 0 371.510 2.048 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)CCC(=O)CCC(=O)c1ccc(C)s1 ZINC000294040194 552877524 /nfs/dbraw/zinc/87/75/24/552877524.db2.gz SJQPXKXKBRTWPS-UHFFFAOYSA-N 1 0 362.495 2.440 20 30 FEEDRO N#Cc1cc(F)ccc1CS(=O)(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000294291478 552894351 /nfs/dbraw/zinc/89/43/51/552894351.db2.gz HCOAXOCZRCCTFA-IBGZPJMESA-N 1 0 373.453 2.391 20 30 FEEDRO C[NH+](C)CCC1CCN(S(=O)(=O)Cc2ccc(F)cc2C#N)CC1 ZINC000294323515 552896896 /nfs/dbraw/zinc/89/68/96/552896896.db2.gz WYZAYUDADHIIPT-UHFFFAOYSA-N 1 0 353.463 2.191 20 30 FEEDRO CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)c1cscc1C#N ZINC000501816413 561606056 /nfs/dbraw/zinc/60/60/56/561606056.db2.gz IFEDBNREEDIJCA-LJQANCHMSA-N 1 0 355.463 2.329 20 30 FEEDRO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@@H](CC(C)(C)C(N)=O)C1 ZINC000295085567 552957784 /nfs/dbraw/zinc/95/77/84/552957784.db2.gz BLIIJTAIKSLZSH-HOCLYGCPSA-N 1 0 356.470 2.499 20 30 FEEDRO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1C[C@@H](c2cnn(C)c2)C2(C1)CCOCC2 ZINC000295115688 552960395 /nfs/dbraw/zinc/96/03/95/552960395.db2.gz JBMGDGXAHMEZQO-MJGOQNOKSA-N 1 0 374.529 2.429 20 30 FEEDRO COCCC[N@H+](C)CCNC(=O)c1ccc(Br)cc1C#N ZINC000295303322 552984128 /nfs/dbraw/zinc/98/41/28/552984128.db2.gz NPOFXFRRVYTMOI-UHFFFAOYSA-N 1 0 354.248 2.019 20 30 FEEDRO N#Cc1cc(Br)cnc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC000295550199 553024638 /nfs/dbraw/zinc/02/46/38/553024638.db2.gz PHJMHMWLWGWSOS-UHFFFAOYSA-N 1 0 365.275 2.264 20 30 FEEDRO CC[C@@H](C)[NH+]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C)CC1 ZINC000295971247 553082905 /nfs/dbraw/zinc/08/29/05/553082905.db2.gz NXUGLXBQQPLAPI-OAHLLOKOSA-N 1 0 354.458 2.186 20 30 FEEDRO CC[C@@H](C)N1CCN(C(=O)C(=O)Nc2cccc(OCCCC#N)c2)CC1 ZINC000296096723 553103758 /nfs/dbraw/zinc/10/37/58/553103758.db2.gz GIJVQLWINOGJOK-MRXNPFEDSA-N 1 0 372.469 2.250 20 30 FEEDRO CO[C@@H]1[C@@H](C)[C@H]([NH2+]CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1(C)C ZINC000296159677 553114367 /nfs/dbraw/zinc/11/43/67/553114367.db2.gz UMKGZTQMTWAKAA-DOPJRALCSA-N 1 0 367.453 2.332 20 30 FEEDRO C=CCOCCCC(=O)N1CC[C@@H](c2ccc(OC)c(F)c2)[C@@H]([NH3+])C1 ZINC000297153105 553256807 /nfs/dbraw/zinc/25/68/07/553256807.db2.gz JCKAMIKXZUEUIN-RDJZCZTQSA-N 1 0 350.434 2.460 20 30 FEEDRO COc1ccc([C@H]2CCN(C(=O)c3ccc(C#N)c(C)n3)C[C@@H]2[NH3+])cc1F ZINC000297263113 553270476 /nfs/dbraw/zinc/27/04/76/553270476.db2.gz RVBKZRATIZXZFL-WBVHZDCISA-N 1 0 368.412 2.366 20 30 FEEDRO Cc1nsc(NC(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)c1C#N ZINC000297466367 553296449 /nfs/dbraw/zinc/29/64/49/553296449.db2.gz QPYARULROJPHNU-UHFFFAOYSA-N 1 0 362.503 2.003 20 30 FEEDRO C=C(C)CN(CC)C(=O)C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000297783516 553338359 /nfs/dbraw/zinc/33/83/59/553338359.db2.gz HZKAHHOQAWXRBH-LJQANCHMSA-N 1 0 357.498 2.392 20 30 FEEDRO CNC(=O)[C@H]1CCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000298032435 553374249 /nfs/dbraw/zinc/37/42/49/553374249.db2.gz FSZHWNREMIFJOF-IUODEOHRSA-N 1 0 374.510 2.284 20 30 FEEDRO N#Cc1ccc(OC[C@H](O)C[N@@H+](Cc2ccc(C(N)=O)cc2)C2CC2)cc1 ZINC000298226333 553400529 /nfs/dbraw/zinc/40/05/29/553400529.db2.gz AQWBNGHQQPYEER-LJQANCHMSA-N 1 0 365.433 2.061 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N[C@@H](c2nccn2C)c2ccc(F)cc2)CC1 ZINC000299003532 553502060 /nfs/dbraw/zinc/50/20/60/553502060.db2.gz ACHFMYSPGZCTGE-GOSISDBHSA-N 1 0 354.429 2.110 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)NCc2ccc(C(=O)N3CCCCC3)cc2)CC1 ZINC000299136666 553520204 /nfs/dbraw/zinc/52/02/04/553520204.db2.gz HCDOULCYIZXPPN-UHFFFAOYSA-N 1 0 367.493 2.274 20 30 FEEDRO Cc1[nH]nc2ncc(C[NH2+][C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)cc12 ZINC000503930800 561650204 /nfs/dbraw/zinc/65/02/04/561650204.db2.gz UGGHBXMAWDLRSQ-GOSISDBHSA-N 1 0 360.421 2.423 20 30 FEEDRO CC(C)(C[NH+]1CCOCC1)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 ZINC000602138152 553525894 /nfs/dbraw/zinc/52/58/94/553525894.db2.gz AKKBPJMCFSSXQF-UHFFFAOYSA-N 1 0 371.416 2.180 20 30 FEEDRO COC[C@@H](C)NC(=[NH2+])NC[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000303904670 553746742 /nfs/dbraw/zinc/74/67/42/553746742.db2.gz YYEHSWUVHSGXJV-OLZOCXBDSA-N 1 0 369.307 2.215 20 30 FEEDRO COC[C@@H](C)NC(=[NH2+])NC[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000303904668 553747118 /nfs/dbraw/zinc/74/71/18/553747118.db2.gz YYEHSWUVHSGXJV-CHWSQXEVSA-N 1 0 369.307 2.215 20 30 FEEDRO N#Cc1ccccc1OC[C@H](O)C[NH2+][C@H]1CCN(Cc2ccccc2)C1 ZINC000311975023 553755184 /nfs/dbraw/zinc/75/51/84/553755184.db2.gz NOSWNCXFNBVDIC-VQTJNVASSA-N 1 0 351.450 2.162 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c(Cl)c1 ZINC000321878899 553767341 /nfs/dbraw/zinc/76/73/41/553767341.db2.gz PVSHNPNKIJMBQH-UKRRQHHQSA-N 1 0 353.875 2.364 20 30 FEEDRO Cc1nc(C)n(C[C@@H]2CCCN(C(=O)NC[C@H]3CCCn4ccnc43)C2)n1 ZINC000328607251 553795440 /nfs/dbraw/zinc/79/54/40/553795440.db2.gz LAUBCORFMIRPMS-IAGOWNOFSA-N 1 0 371.489 2.295 20 30 FEEDRO C[C@H](CNC(=O)N[C@H]1CCN(Cc2ccccc2)C1=O)[N@@H+]1CCC[C@@H](C)C1 ZINC000328680034 553806380 /nfs/dbraw/zinc/80/63/80/553806380.db2.gz NJBMHEBJEGCZFM-LMMKCTJWSA-N 1 0 372.513 2.412 20 30 FEEDRO CN1C(=O)CN(CC(=O)NC2CC[NH+](C3CC3)CC2)[C@@H]1c1ccccc1 ZINC000328704037 553809635 /nfs/dbraw/zinc/80/96/35/553809635.db2.gz OOBRWBLXYSABBE-HXUWFJFHSA-N 1 0 356.470 2.043 20 30 FEEDRO O=C(N[C@H](C[NH+]1CCCC1)c1ccccc1)N1CCN(C2CC2)C(=O)C1 ZINC000328726372 553813131 /nfs/dbraw/zinc/81/31/31/553813131.db2.gz UPCDRVMGEBTHCD-GOSISDBHSA-N 1 0 356.470 2.044 20 30 FEEDRO O=C(NC[C@@H]1CCC2(CCOCC2)[C@@H]1O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000328745091 553815760 /nfs/dbraw/zinc/81/57/60/553815760.db2.gz KSQMQVVIZDIHQG-RYQLBKOJSA-N 1 0 365.518 2.075 20 30 FEEDRO O=C(Nc1nccn1-c1ccccc1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000328758634 553817682 /nfs/dbraw/zinc/81/76/82/553817682.db2.gz WBESVJRMBUSRLF-MRXNPFEDSA-N 1 0 355.442 2.072 20 30 FEEDRO CC(C)[C@H](CNC(=O)N1CC[C@H](C2CCOCC2)C1)N1CCOCC1 ZINC000328830103 553829627 /nfs/dbraw/zinc/82/96/27/553829627.db2.gz KJWHQYHMYGZBJW-ROUUACIJSA-N 1 0 353.507 2.006 20 30 FEEDRO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CC[C@@H](N2CCCC2=O)C1 ZINC000328835522 553830057 /nfs/dbraw/zinc/83/00/57/553830057.db2.gz MJLPOXRJPOJMKI-ZEVUXNIQSA-N 1 0 360.502 2.002 20 30 FEEDRO Cc1nc2c(c(=O)[nH]n2C)c(C)c1CNC(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000328842218 553831023 /nfs/dbraw/zinc/83/10/23/553831023.db2.gz VTPGTDJJLMYEHT-GFCCVEGCSA-N 1 0 363.487 2.185 20 30 FEEDRO Cc1nc([C@@H]2CCCOC2)sc1C(=O)NC[C@H](C)N1CC[NH+](C)CC1 ZINC000328892338 553839920 /nfs/dbraw/zinc/83/99/20/553839920.db2.gz UCYFSDUSIXDNCX-DZGCQCFKSA-N 1 0 366.531 2.286 20 30 FEEDRO CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2[C@@H](C)OCC(=O)N2Cc2ccccc2)C1 ZINC000328920795 553844865 /nfs/dbraw/zinc/84/48/65/553844865.db2.gz BYSZDKXLNYNUEX-AYBZRNKSSA-N 1 0 359.470 2.243 20 30 FEEDRO O=C(C[N@H+]1CCC[C@@](O)(Cn2ccnn2)C1)NC12CC3CC(CC(C3)C1)C2 ZINC000328960240 553853633 /nfs/dbraw/zinc/85/36/33/553853633.db2.gz PKZSLMMKWVKVDY-QBNJSCLLSA-N 1 0 373.501 2.030 20 30 FEEDRO CO[C@@H]1C[C@@H](c2nnc(C)[nH]2)N(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000328965130 553855060 /nfs/dbraw/zinc/85/50/60/553855060.db2.gz MEPIYRZFVGZHCR-KGLIPLIRSA-N 1 0 364.494 2.098 20 30 FEEDRO CO[C@H]1C[C@@H](CO)N(C(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)C1 ZINC000328986724 553859000 /nfs/dbraw/zinc/85/90/00/553859000.db2.gz DQUYWAWBCFWRTD-FOIPXRHGSA-N 1 0 353.507 2.025 20 30 FEEDRO C[C@@H]1CCC[N@H+](CCNC(=O)CN2C(=O)N[C@@]3(CCCC[C@@H]3C)C2=O)C1 ZINC000328999563 553861980 /nfs/dbraw/zinc/86/19/80/553861980.db2.gz XBWUFSGIAXGSTD-ZRGWGRIASA-N 1 0 364.490 2.380 20 30 FEEDRO CC(=O)N1CCN(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)CC12CCCCC2 ZINC000329008394 553863328 /nfs/dbraw/zinc/86/33/28/553863328.db2.gz ZQKHKOUBNCDWLA-MSOLQXFVSA-N 1 0 362.518 2.394 20 30 FEEDRO Cc1noc([C@@H]2CCN([C@H]3CCCN(c4ccc(C#N)cc4)C3=O)C2)n1 ZINC000329014297 553864674 /nfs/dbraw/zinc/86/46/74/553864674.db2.gz FSYQEHWQRNHOFM-WBVHZDCISA-N 1 0 351.410 2.235 20 30 FEEDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N1CCC[C@@H]1[C@@H]1COCC[C@]1(C)O ZINC000329112905 553882684 /nfs/dbraw/zinc/88/26/84/553882684.db2.gz HGUTXWQUFCGFIY-RMJJICAUSA-N 1 0 367.534 2.417 20 30 FEEDRO CCC[NH+]1CCC(CNC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)CC1 ZINC000506181766 561692726 /nfs/dbraw/zinc/69/27/26/561692726.db2.gz GAISSGLYNYFVNR-IBGZPJMESA-N 1 0 351.491 2.486 20 30 FEEDRO CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCN2S(=O)(=O)c2cccs2)C1 ZINC000329144162 553888522 /nfs/dbraw/zinc/88/85/22/553888522.db2.gz WCKBLQNCIHHLQK-UONOGXRCSA-N 1 0 371.528 2.342 20 30 FEEDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@@H](c1nc(C)no1)C1CCOCC1 ZINC000329148929 553889610 /nfs/dbraw/zinc/88/96/10/553889610.db2.gz YNTOEJKCSKXJOS-HZPDHXFCSA-N 1 0 365.478 2.224 20 30 FEEDRO Cc1cccc(C)c1OCC(=O)NC1CC[NH+]([C@@H]2CCN(C)C2=O)CC1 ZINC000329163393 553893123 /nfs/dbraw/zinc/89/31/23/553893123.db2.gz GLFYFTHKPBWXJE-QGZVFWFLSA-N 1 0 359.470 2.334 20 30 FEEDRO CC[NH+]1CCN(c2ccc(CNC(=O)Nc3c(C)noc3C)cn2)CC1 ZINC000329181915 553897163 /nfs/dbraw/zinc/89/71/63/553897163.db2.gz NOYZQEXMXSWAKG-UHFFFAOYSA-N 1 0 358.446 2.354 20 30 FEEDRO COc1cc(CC(=O)NC2CC[NH+]([C@H]3CCN(C)C3=O)CC2)ccc1C ZINC000329187769 553898189 /nfs/dbraw/zinc/89/81/89/553898189.db2.gz QGCCTZNYLLKUQG-KRWDZBQOSA-N 1 0 359.470 2.198 20 30 FEEDRO CN1CC[C@H]([NH+]2CCC(NC(=O)C[C@H]3OCCc4ccccc43)CC2)C1=O ZINC000329197203 553900565 /nfs/dbraw/zinc/90/05/65/553900565.db2.gz VCHYXCYYNRAAKG-RBUKOAKNSA-N 1 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ZINC000332045230 554369237 /nfs/dbraw/zinc/36/92/37/554369237.db2.gz VOPOAMNASZCGHG-AZUAARDMSA-N 1 0 354.498 2.487 20 30 FEEDRO Cc1cc(NC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)c(C#N)cc1N(C)C ZINC000332425773 554444222 /nfs/dbraw/zinc/44/42/22/554444222.db2.gz BWPLYOAOOWNSPP-INIZCTEOSA-N 1 0 371.485 2.119 20 30 FEEDRO CC[NH+](CC)CCN(Cc1ccccc1)S(=O)(=O)N(C)[C@H](C)CC#N ZINC000510097293 561824608 /nfs/dbraw/zinc/82/46/08/561824608.db2.gz ATPPGNBAQWZATN-QGZVFWFLSA-N 1 0 366.531 2.309 20 30 FEEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000510385158 561833103 /nfs/dbraw/zinc/83/31/03/561833103.db2.gz TXOPQQZSHYEEAA-ZDUSSCGKSA-N 1 0 369.918 2.326 20 30 FEEDRO Cc1cc(S(=O)(=O)N2CC(N(C)Cc3ccccc3)C2)ccc1C#N ZINC000510517669 561837322 /nfs/dbraw/zinc/83/73/22/561837322.db2.gz KRBIIRDCBIYFJJ-UHFFFAOYSA-N 1 0 355.463 2.372 20 30 FEEDRO N#Cc1ccc(N2CCC[C@@H](NC(=O)N[C@H]3CC[N@@H+](C4CC4)C3)C2)c(F)c1 ZINC000332839533 554527762 /nfs/dbraw/zinc/52/77/62/554527762.db2.gz PTOYSHXUCVRZAK-CVEARBPZSA-N 1 0 371.460 2.202 20 30 FEEDRO N#CC1CCC(CNC(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000333037192 554562312 /nfs/dbraw/zinc/56/23/12/554562312.db2.gz IVYMMZBRLKXCNV-VHZYLWGESA-N 1 0 362.518 2.383 20 30 FEEDRO C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CCC(F)(C#N)CC1 ZINC000510905666 561850198 /nfs/dbraw/zinc/85/01/98/561850198.db2.gz RJJYUEQUNWRPEO-QGZVFWFLSA-N 1 0 372.488 2.483 20 30 FEEDRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)CN2CCC(F)(C#N)CC2)CC1 ZINC000510930768 561850962 /nfs/dbraw/zinc/85/09/62/561850962.db2.gz AKEYYYZMRKXXBS-UHFFFAOYSA-N 1 0 372.488 2.357 20 30 FEEDRO C=CCOC[C@@H]1NC(=O)N([C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)C1=O ZINC000348586305 554689753 /nfs/dbraw/zinc/68/97/53/554689753.db2.gz KYVVZHSUYTTYNT-OGWHTMIXSA-N 1 0 371.481 2.266 20 30 FEEDRO C[N@@H+]1CCCN(c2ccc(-c3noc(-c4ccc(C#N)o4)n3)cn2)CC1 ZINC000350514246 554794252 /nfs/dbraw/zinc/79/42/52/554794252.db2.gz SYNLQDJVACUNJD-UHFFFAOYSA-N 1 0 350.382 2.405 20 30 FEEDRO CC[NH+]1CCN(c2ccc(-c3noc(-c4ccc(C#N)o4)n3)cn2)CC1 ZINC000350531216 554795602 /nfs/dbraw/zinc/79/56/02/554795602.db2.gz UDOGIMBCKILKLI-UHFFFAOYSA-N 1 0 350.382 2.405 20 30 FEEDRO C=CCNC(=O)Cc1noc(-c2ccc(C[NH+]3CCSCC3)cc2)n1 ZINC000350703948 554808580 /nfs/dbraw/zinc/80/85/80/554808580.db2.gz DLUNQQHZMYRKAQ-UHFFFAOYSA-N 1 0 358.467 2.130 20 30 FEEDRO CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H]2CCC[C@@H]3O[C@@H](CC#N)C[C@H]32)ncn1 ZINC000360054769 554861110 /nfs/dbraw/zinc/86/11/10/554861110.db2.gz GHWUSVOMJTZJSJ-ICUGJSFKSA-N 1 0 370.501 2.317 20 30 FEEDRO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCC[C@@H](C(=O)Nc2nccs2)C1 ZINC000360113533 554863581 /nfs/dbraw/zinc/86/35/81/554863581.db2.gz UDWUNLLXYAODSG-LSDHHAIUSA-N 1 0 362.499 2.383 20 30 FEEDRO C[C@H](Oc1ccccc1C#N)C(=O)N1CCC[N@@H+](C2CCOCC2)CC1 ZINC000360955876 554896665 /nfs/dbraw/zinc/89/66/65/554896665.db2.gz BOFQUUKPBFMPOW-INIZCTEOSA-N 1 0 357.454 2.039 20 30 FEEDRO C=CCOc1cccc(NC(=O)C(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)c1 ZINC000361479421 554921323 /nfs/dbraw/zinc/92/13/23/554921323.db2.gz UIAFPDPAWPWEGC-IPELMVKDSA-N 1 0 369.465 2.133 20 30 FEEDRO C=CCOc1cccc(NC(=O)C(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)c1 ZINC000361479422 554921352 /nfs/dbraw/zinc/92/13/52/554921352.db2.gz UIAFPDPAWPWEGC-KFKAGJAMSA-N 1 0 369.465 2.133 20 30 FEEDRO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)[C@@]2(C#N)CCc3ccccc3C2)CC1 ZINC000362026160 554945119 /nfs/dbraw/zinc/94/51/19/554945119.db2.gz VJQFOLHDOYMAHA-JTSKRJEESA-N 1 0 369.509 2.236 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCC[C@@H]1C(=O)NC1CC1)C(C)C ZINC000362473549 554974580 /nfs/dbraw/zinc/97/45/80/554974580.db2.gz NNOGFJQRXWZUDD-MSOLQXFVSA-N 1 0 362.518 2.138 20 30 FEEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000363006406 555008194 /nfs/dbraw/zinc/00/81/94/555008194.db2.gz HQQHLQNYJDOLHX-CVEARBPZSA-N 1 0 370.453 2.027 20 30 FEEDRO CC[C@H](CNC(=O)[C@H]1CCCN(c2nc(C)ccc2C#N)C1)[NH+]1CCCC1 ZINC000363041668 555016725 /nfs/dbraw/zinc/01/67/25/555016725.db2.gz WTNDDZVOABTUDY-RBUKOAKNSA-N 1 0 369.513 2.469 20 30 FEEDRO C[NH+]1CCC(N(c2cccc(F)c2)S(=O)(=O)c2ccc(C#N)nc2)CC1 ZINC000363056241 555020390 /nfs/dbraw/zinc/02/03/90/555020390.db2.gz VZEYSTMPPWZZCN-UHFFFAOYSA-N 1 0 374.441 2.382 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)NCc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000363065577 555022174 /nfs/dbraw/zinc/02/21/74/555022174.db2.gz CFPYSPXKJYTCFH-UHFFFAOYSA-N 1 0 358.829 2.351 20 30 FEEDRO CCCCCCCC[NH+]1CCC([C@H](O)c2cn(C)c(=O)n(C)c2=O)CC1 ZINC000363167910 555044096 /nfs/dbraw/zinc/04/40/96/555044096.db2.gz QRIBVWWPDQYIOU-SFHVURJKSA-N 1 0 365.518 2.190 20 30 FEEDRO C[C@H](C(=O)NC1(C#N)CCCCC1)N1CCCN(C(=O)C(C)(C)C)CC1 ZINC000363230280 555059513 /nfs/dbraw/zinc/05/95/13/555059513.db2.gz GEFLOCXQKNTJHV-MRXNPFEDSA-N 1 0 362.518 2.298 20 30 FEEDRO C#Cc1cccc(NC(=O)C(=O)NC[C@H]2CC[N@@H+](C)[C@H]2c2cccs2)c1 ZINC000363250078 555063455 /nfs/dbraw/zinc/06/34/55/555063455.db2.gz ISJXMYASEGCKLY-CRAIPNDOSA-N 1 0 367.474 2.477 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H](C)c2nnc3n2CCCCC3)CC1 ZINC000363392184 555093550 /nfs/dbraw/zinc/09/35/50/555093550.db2.gz DOCJAZLMKAWFJO-OAHLLOKOSA-N 1 0 360.506 2.405 20 30 FEEDRO N#Cc1cccc(S(=O)(=O)CCN2CCCC[C@H]2Cn2cccn2)c1 ZINC000363502011 555121983 /nfs/dbraw/zinc/12/19/83/555121983.db2.gz FUOSMVYFQPUXKC-KRWDZBQOSA-N 1 0 358.467 2.083 20 30 FEEDRO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](n2cnc3ccccc32)C1 ZINC000363510336 555124035 /nfs/dbraw/zinc/12/40/35/555124035.db2.gz NKOVAQDZEBFIRV-LSDHHAIUSA-N 1 0 355.442 2.074 20 30 FEEDRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)CSCc3ccc(C#N)cc3)CC2)C1 ZINC000363539178 555131324 /nfs/dbraw/zinc/13/13/24/555131324.db2.gz HEFAPFAKMDIPOZ-LJQANCHMSA-N 1 0 372.538 2.030 20 30 FEEDRO Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N3CCC(C[NH+](C)C)CC3)C2)n1 ZINC000363659113 555157804 /nfs/dbraw/zinc/15/78/04/555157804.db2.gz HAVHVQDKUYNWGG-LJQANCHMSA-N 1 0 369.513 2.278 20 30 FEEDRO C[NH+]1CCC(N2CC[C@H](NC(=O)C(C)(C)Oc3ccc(C#N)cc3)C2)CC1 ZINC000363764208 555181032 /nfs/dbraw/zinc/18/10/32/555181032.db2.gz USWJKQFLZQXDKH-KRWDZBQOSA-N 1 0 370.497 2.000 20 30 FEEDRO C=CCN(C(=O)NCCc1cnn(C)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000363825834 555194475 /nfs/dbraw/zinc/19/44/75/555194475.db2.gz PNVVRHXNCFMXSN-HXUWFJFHSA-N 1 0 367.497 2.435 20 30 FEEDRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)NCC#Cc2cccc(F)c2)C1 ZINC000512157780 561894200 /nfs/dbraw/zinc/89/42/00/561894200.db2.gz ZZSJYOOIBRWLLK-IBGZPJMESA-N 1 0 361.461 2.320 20 30 FEEDRO O=C(NCC#Cc1cccc(F)c1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000512204658 561895822 /nfs/dbraw/zinc/89/58/22/561895822.db2.gz PRPIVUYSJOWKSK-UHFFFAOYSA-N 1 0 373.472 2.464 20 30 FEEDRO CCC[NH+]1CCN(C2CCN(c3cc(C#N)ccc3[N+](=O)[O-])CC2)CC1 ZINC000364056408 555242003 /nfs/dbraw/zinc/24/20/03/555242003.db2.gz MYZKJOMNGLDADQ-UHFFFAOYSA-N 1 0 357.458 2.463 20 30 FEEDRO CCN(CCC#N)C(=O)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C2 ZINC000364597100 555348466 /nfs/dbraw/zinc/34/84/66/555348466.db2.gz DATMYJTUASLAHZ-MUJYYYPQSA-N 1 0 364.490 2.269 20 30 FEEDRO C=CCOc1ccc(C[NH2+][C@@H]2CCC(=O)N[C@H]2c2cnn(C)c2)cc1OC ZINC000364660635 555365696 /nfs/dbraw/zinc/36/56/96/555365696.db2.gz RGOTYCSYZKRPMZ-UZLBHIALSA-N 1 0 370.453 2.103 20 30 FEEDRO CC[NH+](CC)C[C@H](C)NC(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 ZINC000512605819 561910156 /nfs/dbraw/zinc/91/01/56/561910156.db2.gz IFBNTRMYKDORAA-HKUYNNGSSA-N 1 0 357.502 2.136 20 30 FEEDRO C[C@@H]([C@H]1CN(Cc2ccccc2)CCO1)N(C)C(=O)c1cc(C#N)cn1C ZINC000364857443 555416879 /nfs/dbraw/zinc/41/68/79/555416879.db2.gz WOROMBZKUJBFPF-OXJNMPFZSA-N 1 0 366.465 2.258 20 30 FEEDRO CCCC[C@H](ON=C(C)C)C(=O)N1CCC[C@H](C[NH+]2CCN(C)CC2)C1 ZINC000364922862 555439168 /nfs/dbraw/zinc/43/91/68/555439168.db2.gz WOCOFWZMYZIVDB-MOPGFXCFSA-N 1 0 366.550 2.444 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N2CCCN(c3ccc(C#N)cc3)CC2)CC1 ZINC000365186898 555504879 /nfs/dbraw/zinc/50/48/79/555504879.db2.gz KGYQXOIXDLEYAO-UHFFFAOYSA-N 1 0 367.497 2.430 20 30 FEEDRO CC(C)(CCC#N)CNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000513112932 561925582 /nfs/dbraw/zinc/92/55/82/561925582.db2.gz HMNCFNBFBVRWLY-MOPGFXCFSA-N 1 0 372.513 2.499 20 30 FEEDRO CNC(=O)CC[C@@H]1CCCC[N@@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000513176523 561928108 /nfs/dbraw/zinc/92/81/08/561928108.db2.gz ATJHXNMXQPHERY-INIZCTEOSA-N 1 0 353.426 2.489 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)cc1Cl ZINC000365548073 555605755 /nfs/dbraw/zinc/60/57/55/555605755.db2.gz CNTZKBBYALWGHY-YSVLISHTSA-N 1 0 365.886 2.316 20 30 FEEDRO C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)Cc1c(F)cccc1C#N ZINC000513368005 561935690 /nfs/dbraw/zinc/93/56/90/561935690.db2.gz SUXVDDMRQFQJEF-UHFFFAOYSA-N 1 0 354.385 2.039 20 30 FEEDRO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCC[C@H](C(=O)Nc2ncccc2C)C1 ZINC000365792712 555668980 /nfs/dbraw/zinc/66/89/80/555668980.db2.gz PDDRGGYYGHCMDM-RDJZCZTQSA-N 1 0 371.485 2.049 20 30 FEEDRO N#Cc1cc(F)ccc1NC(=O)C(=O)N1CCC[C@H]([NH+]2CCCCC2)C1 ZINC000365944423 555707660 /nfs/dbraw/zinc/70/76/60/555707660.db2.gz ZALINRBBLHFXPS-INIZCTEOSA-N 1 0 358.417 2.113 20 30 FEEDRO C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NCc1ccc(C#N)cc1F ZINC000513546007 561942372 /nfs/dbraw/zinc/94/23/72/561942372.db2.gz VBAJDCRTJVWQAM-FQEVSTJZSA-N 1 0 368.456 2.076 20 30 FEEDRO C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)[NH+]1CCC(n2cnc(C#N)n2)CC1 ZINC000366392783 555831654 /nfs/dbraw/zinc/83/16/54/555831654.db2.gz PVXFBUWRKBLCRS-UONOGXRCSA-N 1 0 370.432 2.192 20 30 FEEDRO CCN(CCC#N)C(=O)C[N@@H+]1CC[C@@H]2[C@@H](CCN2C(=O)OC(C)(C)C)C1 ZINC000366536166 555870758 /nfs/dbraw/zinc/87/07/58/555870758.db2.gz QSXTZHGNEJVCEG-JKSUJKDBSA-N 1 0 364.490 2.080 20 30 FEEDRO Cc1ccc(C#N)c(N2CCC[C@H](C(=O)NCC3(C)CC[NH+](C)CC3)C2)n1 ZINC000366721870 555917931 /nfs/dbraw/zinc/91/79/31/555917931.db2.gz LWZSUQUHMZVNJT-SFHVURJKSA-N 1 0 369.513 2.326 20 30 FEEDRO C=CC[C@H](CC)NC(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000514246003 561965287 /nfs/dbraw/zinc/96/52/87/561965287.db2.gz GFBDELGNVNLQJZ-KRWDZBQOSA-N 1 0 360.506 2.033 20 30 FEEDRO CC[NH+](CC)CC[C@H](CO)Nc1c(C#N)cnc2c(F)c(F)c(F)cc21 ZINC000514627491 561970661 /nfs/dbraw/zinc/97/06/61/561970661.db2.gz LYAVJZQLQMYQFQ-GFCCVEGCSA-N 1 0 366.387 2.450 20 30 FEEDRO N#Cc1ccc(S(N)(=O)=O)cc1NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000367418147 556043413 /nfs/dbraw/zinc/04/34/13/556043413.db2.gz JTXRCRKALKQEJV-QGZVFWFLSA-N 1 0 370.478 2.282 20 30 FEEDRO N#Cc1ccc(N2CCC[C@@H]([NH+]3CCC(C(=O)NC4CC4)CC3)C2=O)cc1 ZINC000367925271 556174420 /nfs/dbraw/zinc/17/44/20/556174420.db2.gz HFOHCEBAZWGTEN-LJQANCHMSA-N 1 0 366.465 2.044 20 30 FEEDRO COc1cccc(CC[NH2+]C[C@@H](O)COc2ccc(C#N)cc2)c1OC ZINC000515072083 561995413 /nfs/dbraw/zinc/99/54/13/561995413.db2.gz BNVLUCYXTJSUPU-QGZVFWFLSA-N 1 0 356.422 2.147 20 30 FEEDRO CC(C)[N@@H+]1CC[C@H](N(C)CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1 ZINC000514993738 561990569 /nfs/dbraw/zinc/99/05/69/561990569.db2.gz KBVBZDGXYZMCPQ-SFHVURJKSA-N 1 0 366.469 2.097 20 30 FEEDRO N#C[C@@H]1CN(C(=O)N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CCO1 ZINC000368186899 556242562 /nfs/dbraw/zinc/24/25/62/556242562.db2.gz BRPCTPMXLOJUCH-YSTOQKLRSA-N 1 0 368.481 2.221 20 30 FEEDRO C=CCC[C@H](NC(=O)C(=O)N[C@@H]1CCn2ccnc2C1)c1ccccc1 ZINC000515245719 562002486 /nfs/dbraw/zinc/00/24/86/562002486.db2.gz ZTNRTSXLMMQQNT-SJORKVTESA-N 1 0 352.438 2.138 20 30 FEEDRO COC(=O)C1=NOC2(C1)CC[NH+](CCCOc1ccc(C#N)cc1)CC2 ZINC000368478346 556321357 /nfs/dbraw/zinc/32/13/57/556321357.db2.gz RBFBPZLORIVYQV-UHFFFAOYSA-N 1 0 357.410 2.111 20 30 FEEDRO N#CC[C@@H]1C[C@H]2[C@H](CCC[C@H]2[NH2+]Cc2cnc(N3CCOCC3)c(F)c2)O1 ZINC000368630406 556369343 /nfs/dbraw/zinc/36/93/43/556369343.db2.gz DRQCRWXXMZKVKY-RWQQGDIJSA-N 1 0 374.460 2.387 20 30 FEEDRO C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@@H](Cc2nnc3ccccn32)C1 ZINC000368655603 556375216 /nfs/dbraw/zinc/37/52/16/556375216.db2.gz MZUFQHQMVXPEMZ-KRWDZBQOSA-N 1 0 353.470 2.184 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)[C@@H]2C[C@]23CCN(C(=O)OC(C)(C)C)C3)CC1 ZINC000368724129 556397986 /nfs/dbraw/zinc/39/79/86/556397986.db2.gz HZNUJGSCGZURHH-JXFKEZNVSA-N 1 0 363.502 2.400 20 30 FEEDRO CN(C[C@@H]1CCC[N@@H+]1CC(=O)N(CCC#N)CCC#N)c1ccccc1 ZINC000368858594 556431135 /nfs/dbraw/zinc/43/11/35/556431135.db2.gz HZRUHLUFJPHGCK-IBGZPJMESA-N 1 0 353.470 2.243 20 30 FEEDRO Cc1nc(CO[C@@H]2CC[N@H+](C[C@H](O)COc3ccc(C#N)cc3)C2)cs1 ZINC000368998697 556472402 /nfs/dbraw/zinc/47/24/02/556472402.db2.gz BJSFVBGORLQORR-PKOBYXMFSA-N 1 0 373.478 2.354 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)[C@@H]2CCCN2C(=O)c2ccc(OC)cc2)CC1 ZINC000369206742 556535665 /nfs/dbraw/zinc/53/56/65/556535665.db2.gz WKNVOQQPBREVDL-IBGZPJMESA-N 1 0 371.481 2.066 20 30 FEEDRO N#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H](N3CCCCC3=O)C2)cc1 ZINC000369274013 556560192 /nfs/dbraw/zinc/56/01/92/556560192.db2.gz LRRJZCXRXSTGKK-GOSISDBHSA-N 1 0 354.454 2.364 20 30 FEEDRO CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000369303629 556569298 /nfs/dbraw/zinc/56/92/98/556569298.db2.gz QSLJMLVEAQQROR-INIZCTEOSA-N 1 0 371.485 2.140 20 30 FEEDRO CN1CC[NH+](C[C@H]2CCCN(C(=O)/C=C/c3cccc(C#N)c3)C2)CC1 ZINC000369310799 556571210 /nfs/dbraw/zinc/57/12/10/556571210.db2.gz SPCZMKULPMGOBH-AQKVLALTSA-N 1 0 352.482 2.057 20 30 FEEDRO Cc1ccc(C)c(OC[C@@H](O)C[NH+]2CCC(n3cnc(C#N)n3)CC2)c1C ZINC000369388633 556587304 /nfs/dbraw/zinc/58/73/04/556587304.db2.gz HCVXPUUNMYHDED-SFHVURJKSA-N 1 0 369.469 2.152 20 30 FEEDRO C=C(C)[C@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC000369662215 556662268 /nfs/dbraw/zinc/66/22/68/556662268.db2.gz GOHBKXWOESVTOZ-JCHJZTRSSA-N 1 0 360.502 2.291 20 30 FEEDRO C[C@@H](CCO)C1(C[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)CCC1 ZINC000516291098 562038887 /nfs/dbraw/zinc/03/88/87/562038887.db2.gz IJWGLCIWRCZBPZ-HNNXBMFYSA-N 1 0 350.484 2.110 20 30 FEEDRO COc1ccc(C[NH2+]C[C@@H]2CCCN(C)[C@@H]2c2cnn(C)c2)cc1C#N ZINC000369671134 556664785 /nfs/dbraw/zinc/66/47/85/556664785.db2.gz DAVYDNASXSTLQE-JXFKEZNVSA-N 1 0 353.470 2.473 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)[C@H]2CCCN(C(=O)c3ccccc3)C2)CC1 ZINC000369757896 556686640 /nfs/dbraw/zinc/68/66/40/556686640.db2.gz QLGMUUVKVTZENS-IBGZPJMESA-N 1 0 367.493 2.143 20 30 FEEDRO N#Cc1ccc(-c2nnc(CN3CCC[N@@H+](C4CCOCC4)CC3)o2)cc1 ZINC000369803420 556699471 /nfs/dbraw/zinc/69/94/71/556699471.db2.gz LSOWCQIIWVFBJM-UHFFFAOYSA-N 1 0 367.453 2.295 20 30 FEEDRO COC(=O)c1cccc(CN2CC[N@@H+](C3CCOCC3)C[C@H]2C)c1C#N ZINC000516526309 562046298 /nfs/dbraw/zinc/04/62/98/562046298.db2.gz UWUWGUQERQFASP-OAHLLOKOSA-N 1 0 357.454 2.030 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)[C@H]2CCC(=O)N(Cc3ccccc3)C2)CC1 ZINC000370197634 556808416 /nfs/dbraw/zinc/80/84/16/556808416.db2.gz OBWVLWWRIBXLTD-IBGZPJMESA-N 1 0 367.493 2.029 20 30 FEEDRO CO/N=C/c1ccc(C(=O)NC2CCN(c3cc(C)ncn3)CC2)cc1 ZINC000370311076 556837187 /nfs/dbraw/zinc/83/71/87/556837187.db2.gz UTALBEKRSPJSMT-WSDLNYQXSA-N 1 0 353.426 2.164 20 30 FEEDRO CN1CCC[C@@]2(CC[N@H+](CC(=O)Nc3ccccc3SCC#N)C2)C1=O ZINC000370409027 556864721 /nfs/dbraw/zinc/86/47/21/556864721.db2.gz AIDZJXIEKZXJIT-IBGZPJMESA-N 1 0 372.494 2.185 20 30 FEEDRO C=CCC[C@@H](O)C[NH+]1CCC([C@@H]2CCCCCN2C(=O)COC)CC1 ZINC000370487424 556887393 /nfs/dbraw/zinc/88/73/93/556887393.db2.gz DOYYBKIVUOHTQP-MOPGFXCFSA-N 1 0 352.519 2.443 20 30 FEEDRO C=CCOc1ccc(C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)cc1OC ZINC000370487299 556887756 /nfs/dbraw/zinc/88/77/56/556887756.db2.gz IHHHSRDQWSOGAB-KRWDZBQOSA-N 1 0 360.454 2.243 20 30 FEEDRO C[N@H+](CCOCc1ccc(C#N)cc1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000516874038 562062208 /nfs/dbraw/zinc/06/22/08/562062208.db2.gz FJPQGLFFGGFDNO-HNNXBMFYSA-N 1 0 355.360 2.170 20 30 FEEDRO Cc1nnc([C@@H]2CC23CC[NH+](C[C@H](O)COc2ccc(C#N)cc2)CC3)o1 ZINC000370812451 556975977 /nfs/dbraw/zinc/97/59/77/556975977.db2.gz VVMOWCGRRCSRMQ-WMZOPIPTSA-N 1 0 368.437 2.259 20 30 FEEDRO CN(C(=O)/C=C/c1ccccc1C#N)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000370830052 556982696 /nfs/dbraw/zinc/98/26/96/556982696.db2.gz KUGSSCXSXNQVMH-AQKVLALTSA-N 1 0 352.482 2.198 20 30 FEEDRO COc1ccc(C[NH2+]C2CCC(N3CCCS3(=O)=O)CC2)cc1C#N ZINC000371087638 557071424 /nfs/dbraw/zinc/07/14/24/557071424.db2.gz MTXQADQCTYPQFZ-UHFFFAOYSA-N 1 0 363.483 2.003 20 30 FEEDRO C#CCOc1ccc(C[NH2+]C2CCC(N3CCCS3(=O)=O)CC2)cc1 ZINC000371089313 557072056 /nfs/dbraw/zinc/07/20/56/557072056.db2.gz PXBJLZFZWTVHCH-UHFFFAOYSA-N 1 0 362.495 2.135 20 30 FEEDRO C#CCNC(=O)[C@H](C)[N@H+](C)CC1CCN(C(=O)Nc2ccccc2)CC1 ZINC000371248652 557119189 /nfs/dbraw/zinc/11/91/89/557119189.db2.gz DLUZBEMBVIIVMQ-INIZCTEOSA-N 1 0 356.470 2.000 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)NCCNC(=O)CC2CCCC2)CC1 ZINC000517320897 562085031 /nfs/dbraw/zinc/08/50/31/562085031.db2.gz PBHXVSVEVASYEU-UHFFFAOYSA-N 1 0 350.507 2.023 20 30 FEEDRO C#CCOc1ccc([C@H](C)[NH2+]C[C@@]2(N3CCOCC3)CCCOC2)cc1 ZINC000371282427 557130435 /nfs/dbraw/zinc/13/04/35/557130435.db2.gz GWIZJHSUSIUOHM-RXVVDRJESA-N 1 0 358.482 2.231 20 30 FEEDRO N#Cc1cccc([C@@H]2CN(C(=O)NC[C@H]3CC[N@@H+](C4CC4)C3)CCO2)c1 ZINC000371283707 557130713 /nfs/dbraw/zinc/13/07/13/557130713.db2.gz LOXDJHZWJQMIAM-APWZRJJASA-N 1 0 354.454 2.125 20 30 FEEDRO C[N@H+](C[C@H]1CC12CCN(C(=O)C(=O)Nc1cccc(C#N)c1)CC2)C1CC1 ZINC000371311779 557141506 /nfs/dbraw/zinc/14/15/06/557141506.db2.gz ZIRGOUYYWAKKES-MRXNPFEDSA-N 1 0 366.465 2.220 20 30 FEEDRO C[C@@H]1CN(C(=O)/C=C/c2cccc(C#N)c2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000371353503 557157721 /nfs/dbraw/zinc/15/77/21/557157721.db2.gz IZCDGGGBDVNLFJ-AJWBFMOXSA-N 1 0 352.482 2.056 20 30 FEEDRO C[C@@H](C(=O)N(C)CCC#N)N1CC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000371450472 557189800 /nfs/dbraw/zinc/18/98/00/557189800.db2.gz LQBASGQBZPAVSF-GXTWGEPZSA-N 1 0 370.375 2.314 20 30 FEEDRO CO[C@@H]1COC[C@@H]1[NH2+]CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000517707709 562095803 /nfs/dbraw/zinc/09/58/03/562095803.db2.gz FWGGOMUXXWWCKB-BYCMXARLSA-N 1 0 363.483 2.077 20 30 FEEDRO CCOC(=O)NCCCC(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000371535757 557213029 /nfs/dbraw/zinc/21/30/29/557213029.db2.gz RZBPGWXVZGXIPB-UHFFFAOYSA-N 1 0 372.469 2.187 20 30 FEEDRO N#CC1(NC(=O)c2ccc3n[nH]nc3c2)CC[NH+](Cc2ccccc2)CC1 ZINC000371534207 557213520 /nfs/dbraw/zinc/21/35/20/557213520.db2.gz NBJCWNFWIOQLMR-UHFFFAOYSA-N 1 0 360.421 2.246 20 30 FEEDRO N#Cc1cnn(-c2ccc(C(=O)N[C@@H]3CC[N@@H+](C4CCCC4)C3)cc2)c1N ZINC000371596242 557234125 /nfs/dbraw/zinc/23/41/25/557234125.db2.gz FNLFEXZDPXLJPQ-MRXNPFEDSA-N 1 0 364.453 2.073 20 30 FEEDRO CC[NH+]1CCN(CC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)CC1 ZINC000517792148 562098243 /nfs/dbraw/zinc/09/82/43/562098243.db2.gz ZRJAPQGNJVFCLG-UHFFFAOYSA-N 1 0 365.437 2.322 20 30 FEEDRO N#Cc1ccc(F)c(CNC(=O)c2cnn(CC[NH+]3CCCCC3)c2)c1 ZINC000371790020 557294154 /nfs/dbraw/zinc/29/41/54/557294154.db2.gz KVDMQTZYTKHIHS-UHFFFAOYSA-N 1 0 355.417 2.310 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCC2(CCOC2=O)CC1)C(C)C ZINC000371882374 557319319 /nfs/dbraw/zinc/31/93/19/557319319.db2.gz BRCVAYLKNKWLBM-KRWDZBQOSA-N 1 0 363.502 2.424 20 30 FEEDRO CC(=O)Nc1ccc(OC[C@H](O)C[NH2+]CCc2cccc(C#N)c2)cc1 ZINC000518520332 562113650 /nfs/dbraw/zinc/11/36/50/562113650.db2.gz HVGLDZPRZNPAAG-LJQANCHMSA-N 1 0 353.422 2.089 20 30 FEEDRO CC[N@@H+]1CCc2c(cccc2NC(=O)C(=O)NCc2ccc(C#N)cc2)C1 ZINC000372035836 557363165 /nfs/dbraw/zinc/36/31/65/557363165.db2.gz DZJYCOOUXIMPSR-UHFFFAOYSA-N 1 0 362.433 2.191 20 30 FEEDRO COc1ccc(C#N)cc1C[NH+]1CCC(C(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000372192534 557405101 /nfs/dbraw/zinc/40/51/01/557405101.db2.gz URQCWDUYIUDSTJ-HZPDHXFCSA-N 1 0 371.481 2.415 20 30 FEEDRO Cc1cc(NC(=O)N2CC[NH+](C(C)C)CC2)nn1-c1cccc(C#N)c1 ZINC000372479354 557481262 /nfs/dbraw/zinc/48/12/62/557481262.db2.gz CZBSZCOLFKGISK-UHFFFAOYSA-N 1 0 352.442 2.610 20 30 FEEDRO Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3C[C@H]4CCCCCC[C@H]43)CC2)o1 ZINC000372585784 557513211 /nfs/dbraw/zinc/51/32/11/557513211.db2.gz JVGFXTKFGRXRBD-SJLPKXTDSA-N 1 0 371.485 2.158 20 30 FEEDRO C=CCN(C(=O)[C@H]1CCN(C)C(=O)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000372597805 557515981 /nfs/dbraw/zinc/51/59/81/557515981.db2.gz BZSYVBXTUGMSPD-OALUTQOASA-N 1 0 355.482 2.144 20 30 FEEDRO COc1cc(C#N)ccc1OCC[N@H+](C)C1CCN(c2cccnn2)CC1 ZINC000372738429 557551008 /nfs/dbraw/zinc/55/10/08/557551008.db2.gz IILJEANZDQQMLE-UHFFFAOYSA-N 1 0 367.453 2.336 20 30 FEEDRO CCCN(CCC[NH+](C)C)C(=O)[C@H]1CCC(=O)N1Cc1cccc(C#N)c1 ZINC000372756582 557555421 /nfs/dbraw/zinc/55/54/21/557555421.db2.gz FBVOUZYXDFHUIC-LJQANCHMSA-N 1 0 370.497 2.240 20 30 FEEDRO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CC[C@@]2(C1)CCCN(C)C2=O ZINC000372900027 557584772 /nfs/dbraw/zinc/58/47/72/557584772.db2.gz AWBUUSGSFHTRRK-INOITIFUSA-N 1 0 374.529 2.250 20 30 FEEDRO C=CCNC(=O)CNC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000373185737 557646296 /nfs/dbraw/zinc/64/62/96/557646296.db2.gz LBHYPORCVPXYRZ-RBUKOAKNSA-N 1 0 370.497 2.127 20 30 FEEDRO COC1(CO)CC[NH+](Cc2cn(CCC#N)nc2-c2ccccc2)CC1 ZINC000373233176 557654690 /nfs/dbraw/zinc/65/46/90/557654690.db2.gz DKAAVFCWQMSRME-UHFFFAOYSA-N 1 0 354.454 2.437 20 30 FEEDRO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CC[C@@H](c3ccccc3F)C2)CC1 ZINC000520201116 562150409 /nfs/dbraw/zinc/15/04/09/562150409.db2.gz YGXMZSPCNUHFKD-YLJYHZDGSA-N 1 0 372.488 2.307 20 30 FEEDRO C[C@H]1CCc2ccccc2N1C(=O)C[NH+]1CCC(n2cnc(C#N)n2)CC1 ZINC000373406044 557688007 /nfs/dbraw/zinc/68/80/07/557688007.db2.gz PTZCWOVCZYDUKI-HNNXBMFYSA-N 1 0 364.453 2.155 20 30 FEEDRO N#CC1(C(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)CCOCC1 ZINC000373419123 557689950 /nfs/dbraw/zinc/68/99/50/557689950.db2.gz UHWGUMYLDVEMHB-UHFFFAOYSA-N 1 0 359.392 2.228 20 30 FEEDRO CC(C)[N@H+](C)CC1CCN(S(=O)(=O)c2ccc(F)c(C#N)c2)CC1 ZINC000520443634 562156625 /nfs/dbraw/zinc/15/66/25/562156625.db2.gz NMQATNJHCXDEJB-UHFFFAOYSA-N 1 0 353.463 2.438 20 30 FEEDRO C[C@@H](CO)[N@@H+]1CCCN(Cc2cn(CCC#N)nc2-c2ccccc2)CC1 ZINC000373734101 557747811 /nfs/dbraw/zinc/74/78/11/557747811.db2.gz PXAJJARBKWHVLG-SFHVURJKSA-N 1 0 367.497 2.352 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000373866808 557776593 /nfs/dbraw/zinc/77/65/93/557776593.db2.gz NMPOMJHURJVCLN-PBHICJAKSA-N 1 0 370.540 2.472 20 30 FEEDRO Cc1ccc(C(=O)NC[C@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)cc1C#N ZINC000374134872 557829452 /nfs/dbraw/zinc/82/94/52/557829452.db2.gz ATAWHGQWLQIVEH-VQIMIIECSA-N 1 0 351.454 2.413 20 30 FEEDRO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000374333347 557867195 /nfs/dbraw/zinc/86/71/95/557867195.db2.gz UOUFMUSSMUUXPQ-RRMPHLOHSA-N 1 0 366.465 2.121 20 30 FEEDRO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000374403779 557879623 /nfs/dbraw/zinc/87/96/23/557879623.db2.gz VSGUJEAWLGSAOE-HOTGVXAUSA-N 1 0 365.437 2.041 20 30 FEEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH2+][C@@H]2CCC(=O)N[C@H]2C2CC2)c1 ZINC000375275036 558002714 /nfs/dbraw/zinc/00/27/14/558002714.db2.gz BZJPLJAWRHTQJK-NQIIRXRSSA-N 1 0 368.481 2.197 20 30 FEEDRO CCC(=O)N1CCC[C@H]1[C@@H]1CCC[N@@H+]1CC(=O)NCc1cccc(C#N)c1 ZINC000375790753 558079915 /nfs/dbraw/zinc/07/99/15/558079915.db2.gz LDQNXYIMJGCBHM-OALUTQOASA-N 1 0 368.481 2.040 20 30 FEEDRO Cn1ccc(N2CC[C@@H]([NH2+]C3CCN(Cc4ccc(C#N)cc4)CC3)C2)n1 ZINC000375853028 558089325 /nfs/dbraw/zinc/08/93/25/558089325.db2.gz VSQCSOAQNWHNAT-HXUWFJFHSA-N 1 0 364.497 2.125 20 30 FEEDRO Cn1ccc(N2CC[C@@H]([NH2+]C3CCN(c4ccc(C#N)cc4)CC3)C2)n1 ZINC000375854681 558089652 /nfs/dbraw/zinc/08/96/52/558089652.db2.gz VNSVPRLOPDKPEL-GOSISDBHSA-N 1 0 350.470 2.129 20 30 FEEDRO C=C(C)[C@H]1OCCC[C@H]1C(=O)N1CCCN(Cc2cnn(CC)c2)CC1 ZINC000376046309 558118728 /nfs/dbraw/zinc/11/87/28/558118728.db2.gz ISCMDGMKNWJCHQ-RTBURBONSA-N 1 0 360.502 2.309 20 30 FEEDRO COc1cc(C[NH2+]C[C@H]2C[C@@H](O)CN2Cc2ccccc2)ccc1C#N ZINC000376609332 558197108 /nfs/dbraw/zinc/19/71/08/558197108.db2.gz IVHVGBLGHGYQJY-WOJBJXKFSA-N 1 0 351.450 2.292 20 30 FEEDRO Cn1cc([C@@H]2[C@@H](CNC(=O)NCC(C)(C)CCC#N)CCC[N@@H+]2C)cn1 ZINC000376672402 558206193 /nfs/dbraw/zinc/20/61/93/558206193.db2.gz MOGHNDKKDZVHBS-WBVHZDCISA-N 1 0 360.506 2.432 20 30 FEEDRO C[NH+]1CCC(NC(=O)C2CCN(c3c(F)cc(C#N)cc3F)CC2)CC1 ZINC000376792481 558222047 /nfs/dbraw/zinc/22/20/47/558222047.db2.gz MYHQVKMMNAHTNQ-UHFFFAOYSA-N 1 0 362.424 2.263 20 30 FEEDRO N#Cc1ccc(N2CC[C@H](C(=O)N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)c(F)c1 ZINC000377166382 558280241 /nfs/dbraw/zinc/28/02/41/558280241.db2.gz ZOUAJNNOOCJSCG-GVDBMIGSSA-N 1 0 356.445 2.267 20 30 FEEDRO C=C(C)COc1cccc(NC(=O)C(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000377524753 558357266 /nfs/dbraw/zinc/35/72/66/558357266.db2.gz UVGACBDFHSGLKK-QGZVFWFLSA-N 1 0 357.454 2.277 20 30 FEEDRO COc1ccc(C[NH2+][C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)cc1OCCCC#N ZINC000377838098 558432693 /nfs/dbraw/zinc/43/26/93/558432693.db2.gz VNXWQAILRGCQND-USXIJHARSA-N 1 0 357.454 2.477 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCC[C@@H](NC(=O)CC)C1)C(C)C ZINC000522802714 562204039 /nfs/dbraw/zinc/20/40/39/562204039.db2.gz DHAULMSDCPSZMW-MSOLQXFVSA-N 1 0 364.534 2.385 20 30 FEEDRO CN1CCN(C(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)C[C@@H]1C#N ZINC000378112452 558483852 /nfs/dbraw/zinc/48/38/52/558483852.db2.gz VIDAPSKOHDVSAF-UXHICEINSA-N 1 0 369.513 2.138 20 30 FEEDRO CCc1nc(CN2CCC[C@H]([N@H+](C)C[C@@H](O)c3ccc(C#N)cc3)C2)no1 ZINC000378142238 558490114 /nfs/dbraw/zinc/49/01/14/558490114.db2.gz LTLVYFOLRPAXBZ-ZWKOTPCHSA-N 1 0 369.469 2.133 20 30 FEEDRO N#Cc1cccc(OCCN2C[C@H](C#N)[C@@]3(C2)C(=O)Nc2ccccc23)c1 ZINC000378285460 558519697 /nfs/dbraw/zinc/51/96/97/558519697.db2.gz IFACOMDKENGDOL-HRAATJIYSA-N 1 0 358.401 2.283 20 30 FEEDRO N#Cc1cccc(OCCN2C[C@@H](C#N)[C@@]3(C2)C(=O)Nc2ccccc23)c1 ZINC000378285463 558519766 /nfs/dbraw/zinc/51/97/66/558519766.db2.gz IFACOMDKENGDOL-IIBYNOLFSA-N 1 0 358.401 2.283 20 30 FEEDRO C=CCCCCCN(C)C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000523519246 562214599 /nfs/dbraw/zinc/21/45/99/562214599.db2.gz AWPQTKSGIFKVAV-UHFFFAOYSA-N 1 0 352.523 2.317 20 30 FEEDRO N#Cc1ccc(CNC(=O)CN2CC[C@@H](Oc3ccc(F)cc3)C2)cc1 ZINC000378645426 558599842 /nfs/dbraw/zinc/59/98/42/558599842.db2.gz BDUDAHMZXQFZMU-LJQANCHMSA-N 1 0 353.397 2.467 20 30 FEEDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NS(=O)(=O)Cc1ccc(C#N)cc1 ZINC000389879673 558609759 /nfs/dbraw/zinc/60/97/59/558609759.db2.gz NMZWXXXQYGBVLV-UZLBHIALSA-N 1 0 369.490 2.498 20 30 FEEDRO C[NH+]1CCC2(CCCN2S(=O)(=O)c2ccc(Cl)c(C#N)c2)CC1 ZINC000408067867 558643589 /nfs/dbraw/zinc/64/35/89/558643589.db2.gz PLWCBBONABIMSQ-UHFFFAOYSA-N 1 0 353.875 2.461 20 30 FEEDRO COc1ccc(C#N)cc1NC(=O)N1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000408081091 558644312 /nfs/dbraw/zinc/64/43/12/558644312.db2.gz URBDAAHOBVFERA-HNNXBMFYSA-N 1 0 371.485 2.199 20 30 FEEDRO CC(C)[C@@H](CNC(=O)CNC(=O)c1ccc(C#N)cc1)[NH+]1CCC(C)CC1 ZINC000524275614 562226342 /nfs/dbraw/zinc/22/63/42/562226342.db2.gz NENKNSCOUISUMH-LJQANCHMSA-N 1 0 370.497 2.161 20 30 FEEDRO CCN(CCC#N)S(=O)(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000409496828 558697849 /nfs/dbraw/zinc/69/78/49/558697849.db2.gz YUXWOCCBAMGZET-SJLPKXTDSA-N 1 0 364.515 2.109 20 30 FEEDRO CCN(C[C@H](C)C#N)S(=O)(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000409566690 558703808 /nfs/dbraw/zinc/70/38/08/558703808.db2.gz BPAZAPQNSILQFR-BRWVUGGUSA-N 1 0 358.552 2.060 20 30 FEEDRO CCN(CCC#N)S(=O)(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000410131582 558740682 /nfs/dbraw/zinc/74/06/82/558740682.db2.gz SDPIQAQYLNRORX-ZBFHGGJFSA-N 1 0 370.544 2.201 20 30 FEEDRO CC[C@H]1CCC[N@@H+](C(C)(C)CNS(=O)(=O)N(CC)C[C@H](C)C#N)C1 ZINC000410130632 558740695 /nfs/dbraw/zinc/74/06/95/558740695.db2.gz MTTUMODGUQBYGU-CVEARBPZSA-N 1 0 358.552 2.203 20 30 FEEDRO COCCNC(=O)c1c[nH]nc1[C@H]1CCC[N@H+](Cc2cc(C#N)cs2)C1 ZINC000410362473 558753020 /nfs/dbraw/zinc/75/30/20/558753020.db2.gz YIRWGRHVRNESNP-AWEZNQCLSA-N 1 0 373.482 2.099 20 30 FEEDRO CCN(C[C@H](C)C#N)S(=O)(=O)N[C@@H](C)[C@@H](c1ccccc1C)[NH+](C)C ZINC000410411682 558755951 /nfs/dbraw/zinc/75/59/51/558755951.db2.gz SIKIIYNLIRXQFR-HFTRVMKXSA-N 1 0 366.531 2.302 20 30 FEEDRO C=CCCCN(C)C(=O)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000410685794 558798731 /nfs/dbraw/zinc/79/87/31/558798731.db2.gz DYEMVUAJUJRDTP-UXHICEINSA-N 1 0 369.509 2.392 20 30 FEEDRO C=C(C)CN(C)C(=O)C(=O)N(CC)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000410870915 558818297 /nfs/dbraw/zinc/81/82/97/558818297.db2.gz JKAIKESLVJPDCM-LJQANCHMSA-N 1 0 357.498 2.392 20 30 FEEDRO CC[N@H+](CCC1CCN(C(=O)C(=O)N(C)C[C@H](C)C#N)CC1)CC(C)C ZINC000410915212 558823116 /nfs/dbraw/zinc/82/31/16/558823116.db2.gz MNGYOLIXEYEULX-QGZVFWFLSA-N 1 0 364.534 2.211 20 30 FEEDRO C[NH+](C)CC(=O)N1CCN(Cc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC000411164621 558847296 /nfs/dbraw/zinc/84/72/96/558847296.db2.gz MNEFOOJATXLRPI-UHFFFAOYSA-N 1 0 362.477 2.431 20 30 FEEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)C[C@@H]1C ZINC000525395898 562247315 /nfs/dbraw/zinc/24/73/15/562247315.db2.gz IKZUKKDIYKAWBV-KSSFIOAISA-N 1 0 366.469 2.271 20 30 FEEDRO C=CC[N@@H+](C)CCN(CC)[C@@H](C(N)=O)c1ccc(Br)cc1 ZINC000411635118 558932787 /nfs/dbraw/zinc/93/27/87/558932787.db2.gz AWXLFEKSZWVDCZ-OAHLLOKOSA-N 1 0 354.292 2.415 20 30 FEEDRO C[NH+](C)[C@@H]1CCOc2c(NC(=O)C(=O)NCC(C)(C)CC#N)cccc21 ZINC000411640463 558934020 /nfs/dbraw/zinc/93/40/20/558934020.db2.gz GJZHHMAAGIYJQG-OAHLLOKOSA-N 1 0 358.442 2.066 20 30 FEEDRO N#Cc1cccnc1OC1CCC([NH2+][C@@H](C(N)=O)c2ccccc2)CC1 ZINC000525871944 562257987 /nfs/dbraw/zinc/25/79/87/562257987.db2.gz RABXNLRUJLAMCH-DAWZGUTISA-N 1 0 350.422 2.459 20 30 FEEDRO C[C@@H](C(=O)NC1(C#N)CCC1)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000526059191 562265624 /nfs/dbraw/zinc/26/56/24/562265624.db2.gz OUCVACZKOONQQJ-INIZCTEOSA-N 1 0 358.461 2.284 20 30 FEEDRO C=CCn1c(=O)c2ccsc2nc1SCC[N@@H+]1CCCOCC1 ZINC000412976107 559068666 /nfs/dbraw/zinc/06/86/66/559068666.db2.gz HIVNFKQCXGVYLP-UHFFFAOYSA-N 1 0 351.497 2.458 20 30 FEEDRO C[C@H](C(=O)NC1CCC(Oc2ncccc2C#N)CC1)N1CCSCC1 ZINC000526122004 562267466 /nfs/dbraw/zinc/26/74/66/562267466.db2.gz SXYQJWRUWJJAGF-ODIFPOPNSA-N 1 0 374.510 2.197 20 30 FEEDRO C[NH+](C)CCN(C1CC1)S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000414461121 559165561 /nfs/dbraw/zinc/16/55/61/559165561.db2.gz KJNVAGOAECFDFZ-UHFFFAOYSA-N 1 0 372.288 2.035 20 30 FEEDRO CC[NH2+]Cc1ccccc1NC(=O)C(=O)N[C@@H](C)c1ccc(C#N)cc1 ZINC000414702911 559180925 /nfs/dbraw/zinc/18/09/25/559180925.db2.gz VNEMZFXHGFXHTM-AWEZNQCLSA-N 1 0 350.422 2.484 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000414719707 559181952 /nfs/dbraw/zinc/18/19/52/559181952.db2.gz WEDSLACTTSQSOG-UHFFFAOYSA-N 1 0 371.462 2.383 20 30 FEEDRO CC[NH2+]Cc1ccccc1NC(=O)C(=O)N(C)Cc1ccc(C#N)cc1 ZINC000414724152 559182353 /nfs/dbraw/zinc/18/23/53/559182353.db2.gz DVSKXGBMXCKWMD-UHFFFAOYSA-N 1 0 350.422 2.265 20 30 FEEDRO CC[NH2+]Cc1ccccc1NC(=O)C(=O)N(CCC#N)Cc1ccco1 ZINC000415083272 559204254 /nfs/dbraw/zinc/20/42/54/559204254.db2.gz NGFDIDUVYXKUNA-UHFFFAOYSA-N 1 0 354.410 2.270 20 30 FEEDRO N#Cc1cccc(Oc2ccc(NC(=O)NC[C@@H]3C[NH2+]CCO3)cc2)c1 ZINC000415167953 559211139 /nfs/dbraw/zinc/21/11/39/559211139.db2.gz ULAGFVFHEYGEKQ-SFHVURJKSA-N 1 0 352.394 2.460 20 30 FEEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000415169919 559211476 /nfs/dbraw/zinc/21/14/76/559211476.db2.gz WGSGGEPOYHHXSA-HOTGVXAUSA-N 1 0 373.526 2.450 20 30 FEEDRO N#Cc1ccc(Oc2cccc(NC(=O)C(=O)N3CCC[C@@H]([NH3+])C3)c2)cc1 ZINC000415269273 559219942 /nfs/dbraw/zinc/21/99/42/559219942.db2.gz KXJLWOUMBOQHGJ-OAHLLOKOSA-N 1 0 364.405 2.239 20 30 FEEDRO N#Cc1cccc(Oc2ccc(NC(=O)C(=O)N3CCC([NH3+])CC3)cc2)c1 ZINC000415278369 559220647 /nfs/dbraw/zinc/22/06/47/559220647.db2.gz GWUOSIRAKUAFLC-UHFFFAOYSA-N 1 0 364.405 2.239 20 30 FEEDRO CC(C)[C@H]1CCc2c(C#N)c(NC(=O)C(=O)N3CC[C@H](C[NH3+])C3)sc2C1 ZINC000415355872 559226917 /nfs/dbraw/zinc/22/69/17/559226917.db2.gz PNKTZHOQHSBTRC-OLZOCXBDSA-N 1 0 374.510 2.126 20 30 FEEDRO C[NH2+]CC1CCN(C(=O)C(=O)Nc2sc(C(C)(C)C)cc2C#N)CC1 ZINC000415394529 559230780 /nfs/dbraw/zinc/23/07/80/559230780.db2.gz CSSZYLARUVGLSU-UHFFFAOYSA-N 1 0 362.499 2.314 20 30 FEEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N(C)[C@@H](C)C[NH3+] ZINC000415423896 559234394 /nfs/dbraw/zinc/23/43/94/559234394.db2.gz ZUSPIUYGJPVRFH-AWEZNQCLSA-N 1 0 366.421 2.403 20 30 FEEDRO C[C@@H]1CN(C(=O)C(=O)Nc2cccc(C#Cc3ccccc3)c2)CC[C@@H]1[NH3+] ZINC000415436751 559236752 /nfs/dbraw/zinc/23/67/52/559236752.db2.gz CBQRLZHQXPPAKV-UZLBHIALSA-N 1 0 361.445 2.221 20 30 FEEDRO N#Cc1cc(NC(=O)C(=O)N[C@H](C[NH3+])C2CC2)ccc1Oc1ccccc1 ZINC000415456150 559238916 /nfs/dbraw/zinc/23/89/16/559238916.db2.gz SKPYBGRZVCECTD-QGZVFWFLSA-N 1 0 364.405 2.143 20 30 FEEDRO N#Cc1ccc(Oc2cccc(NC(=O)C(=O)N[C@@H](C[NH3+])C3CC3)c2)cc1 ZINC000415455854 559238963 /nfs/dbraw/zinc/23/89/63/559238963.db2.gz QAZXTAALCXMLNB-SFHVURJKSA-N 1 0 364.405 2.143 20 30 FEEDRO N#Cc1ccc(-n2ccc(NC(=O)NC[C@H]3CCC[C@H]([NH3+])C3)n2)c(Cl)c1 ZINC000415460523 559239514 /nfs/dbraw/zinc/23/95/14/559239514.db2.gz NKADONHNOFMNCW-KBPBESRZSA-N 1 0 372.860 3.036 20 30 FEEDRO COCCOc1ccc(C#N)cc1NC(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415464857 559239973 /nfs/dbraw/zinc/23/99/73/559239973.db2.gz DEFYQWZIADFXNQ-JKSUJKDBSA-N 1 0 358.442 2.093 20 30 FEEDRO N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)N2CCCC[C@H]2C[NH3+])n1 ZINC000415464245 559239985 /nfs/dbraw/zinc/23/99/85/559239985.db2.gz RKIWNYNWUNXAKB-AWEZNQCLSA-N 1 0 358.833 2.742 20 30 FEEDRO N#Cc1ccc(-n2ccc(NC(=O)NCC3([NH3+])CCCCC3)n2)c(F)c1 ZINC000415466799 559240145 /nfs/dbraw/zinc/24/01/45/559240145.db2.gz UQUKJLSLBDSMEF-UHFFFAOYSA-N 1 0 356.405 2.666 20 30 FEEDRO C[C@@H]1CCN(C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)[C@H](C[NH3+])C1 ZINC000415468333 559240582 /nfs/dbraw/zinc/24/05/82/559240582.db2.gz WEWRYDUTAAMTIX-OCCSQVGLSA-N 1 0 372.860 2.988 20 30 FEEDRO N#Cc1ccc(-n2ccc(NC(=O)N[C@H]3CCCC[C@H]3C[NH3+])n2)c(Cl)c1 ZINC000415471031 559240976 /nfs/dbraw/zinc/24/09/76/559240976.db2.gz ZTHKEAUUHXJOBF-ZFWWWQNUSA-N 1 0 372.860 3.036 20 30 FEEDRO C=C(C)COc1cccc(NC(=O)C(=O)N2CCC(C[NH2+]CC)CC2)c1 ZINC000415474339 559241384 /nfs/dbraw/zinc/24/13/84/559241384.db2.gz CPQFUJNRTCYMSO-UHFFFAOYSA-N 1 0 359.470 2.428 20 30 FEEDRO CC(C)Oc1ccc(NC(=O)C(=O)N(C)CC[C@@H]([NH3+])C(C)C)cc1C#N ZINC000415493278 559243099 /nfs/dbraw/zinc/24/30/99/559243099.db2.gz DAXXOWUVCCDWJY-MRXNPFEDSA-N 1 0 360.458 2.116 20 30 FEEDRO N#Cc1cccnc1-n1cc(NC(=O)N[C@H](C[NH3+])C2CCCCC2)cn1 ZINC000415504224 559244602 /nfs/dbraw/zinc/24/46/02/559244602.db2.gz XFJUVKLGFRSOFQ-MRXNPFEDSA-N 1 0 353.430 2.168 20 30 FEEDRO C[NH2+]CCC1CCN(C(=O)C(=O)Nc2ccc(OC(C)C)c(C#N)c2)CC1 ZINC000415558479 559249523 /nfs/dbraw/zinc/24/95/23/559249523.db2.gz YDDGEFLURGFIKL-UHFFFAOYSA-N 1 0 372.469 2.132 20 30 FEEDRO CC1(C)CCC[NH2+][C@@H]1CNC(=O)C(=O)Nc1cccc(OCCCC#N)c1 ZINC000415679998 559261173 /nfs/dbraw/zinc/26/11/73/559261173.db2.gz SUPMGFHTECAINE-QGZVFWFLSA-N 1 0 372.469 2.202 20 30 FEEDRO N#Cc1ccc(N2CCC[C@H](NC(=O)NCC[N@H+]3CC=CCC3)C2)c(F)c1 ZINC000527231311 562281399 /nfs/dbraw/zinc/28/13/99/562281399.db2.gz RPCOEVKNTMHJLL-KRWDZBQOSA-N 1 0 371.460 2.227 20 30 FEEDRO N#CCCCOc1cccc(NC(=O)C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)c1 ZINC000415722329 559265136 /nfs/dbraw/zinc/26/51/36/559265136.db2.gz HSVJFNSDDZBAHB-WKILWMFISA-N 1 0 372.469 2.189 20 30 FEEDRO N#CCCSc1ccccc1NC(=O)C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000415735924 559265978 /nfs/dbraw/zinc/26/59/78/559265978.db2.gz ZDOIODAXSRJORK-LJQANCHMSA-N 1 0 372.494 2.233 20 30 FEEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000415795631 559271948 /nfs/dbraw/zinc/27/19/48/559271948.db2.gz WMUIMZCBQXFWDN-KGLIPLIRSA-N 1 0 366.421 2.449 20 30 FEEDRO COc1ccc(C#N)cc1NC(=O)C(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000415833644 559276506 /nfs/dbraw/zinc/27/65/06/559276506.db2.gz TUUWPFANLZICMK-MRXNPFEDSA-N 1 0 366.421 2.102 20 30 FEEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000415901800 559281917 /nfs/dbraw/zinc/28/19/17/559281917.db2.gz XSKSWNDMXJLJGJ-KFWWJZLASA-N 1 0 372.494 2.087 20 30 FEEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000415901798 559281940 /nfs/dbraw/zinc/28/19/40/559281940.db2.gz XSKSWNDMXJLJGJ-ILXRZTDVSA-N 1 0 372.494 2.087 20 30 FEEDRO C=C(C)Cn1c(-c2ncccn2)nnc1N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000417489232 559364160 /nfs/dbraw/zinc/36/41/60/559364160.db2.gz BBYGWNIBZJOTLL-INIZCTEOSA-N 1 0 355.490 2.479 20 30 FEEDRO C[NH2+]C[C@H]1CCCN1C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000417575255 559367301 /nfs/dbraw/zinc/36/73/01/559367301.db2.gz IZQPVKPSBCMSBY-JKSUJKDBSA-N 1 0 359.449 2.060 20 30 FEEDRO N#Cc1ccc(N2CCC[C@H](NC(=O)NC[C@@H]3CCC[C@H]([NH3+])C3)C2)c(F)c1 ZINC000417573887 559367313 /nfs/dbraw/zinc/36/73/13/559367313.db2.gz HZPWREJMTFJCRY-IKGGRYGDSA-N 1 0 373.476 2.483 20 30 FEEDRO N#Cc1ccc(N2CCC[C@@H](NC(=O)N[C@H](C[NH3+])C3CCCC3)C2)c(F)c1 ZINC000417575712 559367328 /nfs/dbraw/zinc/36/73/28/559367328.db2.gz JKIRZHZRUFRAPD-SJLPKXTDSA-N 1 0 373.476 2.483 20 30 FEEDRO CCCC[C@H](C[NH3+])NC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000417579968 559367543 /nfs/dbraw/zinc/36/75/43/559367543.db2.gz QHAYAUYUEKSPLN-CVEARBPZSA-N 1 0 361.465 2.483 20 30 FEEDRO C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)CC[NH2+]1 ZINC000417582828 559367684 /nfs/dbraw/zinc/36/76/84/559367684.db2.gz VWCYFEAWQMIOIY-FVQBIDKESA-N 1 0 359.449 2.106 20 30 FEEDRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000417584760 559367955 /nfs/dbraw/zinc/36/79/55/559367955.db2.gz YNNGDKNFYFZCPA-KBMXLJTQSA-N 1 0 359.449 2.045 20 30 FEEDRO CCc1ccccc1[C@H]([NH3+])CNC(=O)NCCOc1ccc(C#N)cc1 ZINC000417772458 559375938 /nfs/dbraw/zinc/37/59/38/559375938.db2.gz YQDAMYTZIXWSPX-LJQANCHMSA-N 1 0 352.438 2.499 20 30 FEEDRO N#CCC[C@@H](NC(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+])c1ccccc1 ZINC000417912037 559381726 /nfs/dbraw/zinc/38/17/26/559381726.db2.gz IITGNBMFOSORHL-ZWKOTPCHSA-N 1 0 371.485 2.061 20 30 FEEDRO COc1ccc(CN2C[C@H](C)[N@H+](CCO)C[C@@H]2C)cc1OCCCC#N ZINC000418123744 559391066 /nfs/dbraw/zinc/39/10/66/559391066.db2.gz YPNUTKONAKRMAN-IRXDYDNUSA-N 1 0 361.486 2.265 20 30 FEEDRO N#C[C@@H]1CN(C(=O)NCC2([NH3+])CCCCC2)CCN1Cc1ccccc1 ZINC000418298602 559396755 /nfs/dbraw/zinc/39/67/55/559396755.db2.gz QGZLRZIIKVFPCP-GOSISDBHSA-N 1 0 355.486 2.068 20 30 FEEDRO N#Cc1cccc(N2CCN(C(=O)NCC[NH2+]C3CCCCCC3)CC2)n1 ZINC000418470604 559402957 /nfs/dbraw/zinc/40/29/57/559402957.db2.gz VDDBMQRWHFINHB-UHFFFAOYSA-N 1 0 370.501 2.097 20 30 FEEDRO C[C@H]([NH3+])c1ccc(CNC(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1 ZINC000418494515 559403762 /nfs/dbraw/zinc/40/37/62/559403762.db2.gz SIZSNNDEDWYINB-HNNXBMFYSA-N 1 0 364.453 2.005 20 30 FEEDRO C[C@H]1C[C@H](NC(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)CC[NH2+]1 ZINC000418596876 559407425 /nfs/dbraw/zinc/40/74/25/559407425.db2.gz HHUVMZVMLMGAEV-DZGCQCFKSA-N 1 0 360.433 2.391 20 30 FEEDRO C[C@@H]1C[C@@H](NC(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)CC[NH2+]1 ZINC000418605899 559407658 /nfs/dbraw/zinc/40/76/58/559407658.db2.gz PYCKRYXELNZVMT-KDOFPFPSSA-N 1 0 369.469 2.059 20 30 FEEDRO C=CCCCCCN(C)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418609910 559407812 /nfs/dbraw/zinc/40/78/12/559407812.db2.gz GEKCKMXXNPVCQY-AWEZNQCLSA-N 1 0 350.429 2.210 20 30 FEEDRO N#C[C@@H]1CN(C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)CCN1Cc1ccccc1 ZINC000418682047 559411055 /nfs/dbraw/zinc/41/10/55/559411055.db2.gz IDLCEEAAJXAYFE-QWFCFKBJSA-N 1 0 369.513 2.171 20 30 FEEDRO C=CCSc1ccccc1NC(=O)CN1C[C@@H](C)[N@@H+](CCO)C[C@@H]1C ZINC000419317522 559436653 /nfs/dbraw/zinc/43/66/53/559436653.db2.gz AJOBMCHBBDNSCT-CVEARBPZSA-N 1 0 363.527 2.290 20 30 FEEDRO CN(C)CC[N@H+](C)CCCN(C)C(=O)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000419623847 559450310 /nfs/dbraw/zinc/45/03/10/559450310.db2.gz UUGMGYJTLPXBAW-FQEVSTJZSA-N 1 0 371.529 2.461 20 30 FEEDRO CN(C)CC[N@H+](C)CCCN(C)C(=O)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000419623849 559450322 /nfs/dbraw/zinc/45/03/22/559450322.db2.gz UUGMGYJTLPXBAW-HXUWFJFHSA-N 1 0 371.529 2.461 20 30 FEEDRO C=C(C)[C@H](NC(=O)C(=O)N1CCC[C@H](C)[C@H]1C[NH3+])c1ccc(F)c(F)c1 ZINC000419684471 559453993 /nfs/dbraw/zinc/45/39/93/559453993.db2.gz WJZHTDRFJRATCI-VUCTXSBTSA-N 1 0 365.424 2.284 20 30 FEEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCC1([NH+](C)C)CC1 ZINC000419798128 559459858 /nfs/dbraw/zinc/45/98/58/559459858.db2.gz WRHUTUPIIHHVHR-ZDUSSCGKSA-N 1 0 360.483 2.230 20 30 FEEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000420108257 559473165 /nfs/dbraw/zinc/47/31/65/559473165.db2.gz UOLNCZMDAAHMAL-QGZVFWFLSA-N 1 0 369.918 2.422 20 30 FEEDRO CN1CC[NH2+]C[C@H]1CNc1c(C#N)cnc2c(Br)cccc21 ZINC000420285068 559478731 /nfs/dbraw/zinc/47/87/31/559478731.db2.gz ZECULKQOAQAJSP-LBPRGKRZSA-N 1 0 360.259 2.184 20 30 FEEDRO C[NH+](C)C1CCC(NC(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1 ZINC000421091747 559523711 /nfs/dbraw/zinc/52/37/11/559523711.db2.gz GZMLZSPSGRCQSY-UHFFFAOYSA-N 1 0 353.430 2.133 20 30 FEEDRO CCOC(=O)c1c(NC(=O)N(C)CC[N@H+](C)C2CC2)c(C#N)cn1CC ZINC000421171171 559528453 /nfs/dbraw/zinc/52/84/53/559528453.db2.gz GKQWKGUXTSRUDQ-UHFFFAOYSA-N 1 0 361.446 2.114 20 30 FEEDRO CCOC(=O)c1c(NC(=O)N[C@H]2CCC[N@H+](C)[C@@H]2C)c(C#N)cn1CC ZINC000421173674 559528763 /nfs/dbraw/zinc/52/87/63/559528763.db2.gz MCXSNBCQAZEFJQ-OCCSQVGLSA-N 1 0 361.446 2.161 20 30 FEEDRO N#Cc1ccc(CN2CCC([NH2+]C[C@H]3CC[C@H](C(N)=O)CC3)CC2)cc1 ZINC000421351294 559539921 /nfs/dbraw/zinc/53/99/21/559539921.db2.gz NVHKPEDZNALABK-UAPYVXQJSA-N 1 0 354.498 2.404 20 30 FEEDRO CC(C)N(Cc1ccc(C#N)cc1)C(=O)C(=O)NCCCC[N@H+](C)C1CC1 ZINC000422455132 559589366 /nfs/dbraw/zinc/58/93/66/559589366.db2.gz NMKSYJZVQBMBRZ-UHFFFAOYSA-N 1 0 370.497 2.286 20 30 FEEDRO C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CCCC12CC[NH+](C)CC2 ZINC000422528016 559593074 /nfs/dbraw/zinc/59/30/74/559593074.db2.gz MWBYFGWTNHVAQO-IBGZPJMESA-N 1 0 369.509 2.377 20 30 FEEDRO O=C(Nc1cccc(C#Cc2ccccc2)c1)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000423557985 559632107 /nfs/dbraw/zinc/63/21/07/559632107.db2.gz IUCBAVPNZQHGLM-UHFFFAOYSA-N 1 0 373.456 2.379 20 30 FEEDRO N#CCCC[C@@H]([NH3+])C(=O)NCc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000424066946 559653355 /nfs/dbraw/zinc/65/33/55/559653355.db2.gz UVMUOMOVMMIXFA-SNVBAGLBSA-N 1 0 374.754 2.039 20 30 FEEDRO COc1cccc(OC)c1OC1CCN(C(=O)[C@H]([NH3+])CCCC#N)CC1 ZINC000424090507 559654440 /nfs/dbraw/zinc/65/44/40/559654440.db2.gz KMVMPVAQBBOBRG-OAHLLOKOSA-N 1 0 361.442 2.095 20 30 FEEDRO COc1ccc(C)cc1C1(CNC(=O)[C@H]([NH3+])CCCC#N)CCOCC1 ZINC000424108684 559654989 /nfs/dbraw/zinc/65/49/89/559654989.db2.gz XVZQQPYTLPILLP-QGZVFWFLSA-N 1 0 359.470 2.189 20 30 FEEDRO CCCS(=O)(=O)Nc1cccc(NC(=O)[C@H]([NH3+])CCCC#N)c1C ZINC000424106885 559655086 /nfs/dbraw/zinc/65/50/86/559655086.db2.gz YEUMQIZTCLAGMQ-CYBMUJFWSA-N 1 0 352.460 2.106 20 30 FEEDRO CCn1c(-c2cccc(C#N)c2)nnc1N1CC[NH+](C(C)(C)COC)CC1 ZINC000424134949 559655837 /nfs/dbraw/zinc/65/58/37/559655837.db2.gz LGLUAXPBKBAGID-UHFFFAOYSA-N 1 0 368.485 2.384 20 30 FEEDRO CN(C)Cc1ccc(NC(=O)[C@H]([NH3+])CCCC#N)cc1Br ZINC000424178282 559656763 /nfs/dbraw/zinc/65/67/63/559656763.db2.gz WKSLKTLZVDGBGS-CQSZACIVSA-N 1 0 353.264 2.470 20 30 FEEDRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(c2c(C#N)cccc2[N+](=O)[O-])CC1 ZINC000425221051 559692035 /nfs/dbraw/zinc/69/20/35/559692035.db2.gz JOLQTIAZPOLLLX-HZPDHXFCSA-N 1 0 357.458 2.461 20 30 FEEDRO C[C@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)N(C)CCC[NH+]1CCCC1 ZINC000425383085 559698976 /nfs/dbraw/zinc/69/89/76/559698976.db2.gz JTSSRICCBVMWFC-MRXNPFEDSA-N 1 0 356.470 2.022 20 30 FEEDRO C=CCn1cc(CNC(=O)NCc2ccc(C[NH+](CC)CC)cc2)nn1 ZINC000425385808 559699277 /nfs/dbraw/zinc/69/92/77/559699277.db2.gz QKNLQYRAGKKFKZ-UHFFFAOYSA-N 1 0 356.474 2.305 20 30 FEEDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N(C)[C@@H](C)c2cccc(C#N)c2)C1 ZINC000425386691 559699352 /nfs/dbraw/zinc/69/93/52/559699352.db2.gz POYVCMCKIOUUPY-FUHWJXTLSA-N 1 0 370.497 2.268 20 30 FEEDRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)N(C)[C@@H](C)c1cccc(C#N)c1 ZINC000425503221 559706298 /nfs/dbraw/zinc/70/62/98/559706298.db2.gz RPAYQMDEQDPNLC-IRXDYDNUSA-N 1 0 357.502 2.287 20 30 FEEDRO N#C[C@H]1CC[C@@H](NC(=O)C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)C1 ZINC000425801251 559720232 /nfs/dbraw/zinc/72/02/32/559720232.db2.gz GWMBULPPOAPOEA-FUHWJXTLSA-N 1 0 354.454 2.072 20 30 FEEDRO C[C@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000425878280 559723725 /nfs/dbraw/zinc/72/37/25/559723725.db2.gz YGKCIVDIYWGLBX-OAHLLOKOSA-N 1 0 368.481 2.068 20 30 FEEDRO CCC[NH+]1CCC(CNC(=O)C(=O)N(C)[C@H](C)c2cccc(C#N)c2)CC1 ZINC000425879302 559723788 /nfs/dbraw/zinc/72/37/88/559723788.db2.gz ZMNTWTWJYWOSCC-MRXNPFEDSA-N 1 0 370.497 2.316 20 30 FEEDRO Cc1ccccc1[C@@H]([C@@H](C)NS(=O)(=O)c1cccnc1C#N)[NH+](C)C ZINC000428398560 559774735 /nfs/dbraw/zinc/77/47/35/559774735.db2.gz GAHFDQIQZPFKHD-RDTXWAMCSA-N 1 0 358.467 2.231 20 30 FEEDRO C=CC[C@H](C)[C@H](C)[NH2+]C1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 ZINC000428411763 559775006 /nfs/dbraw/zinc/77/50/06/559775006.db2.gz FWZMKKCBJJTZDD-KBPBESRZSA-N 1 0 366.483 2.021 20 30 FEEDRO C[C@@H]1C[C@H]1[N@@H+]1CCN([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C[C@@H](C)C1 ZINC000429019584 559788777 /nfs/dbraw/zinc/78/87/77/559788777.db2.gz JNKUVQHNZFLHMN-XNFNUYLZSA-N 1 0 352.482 2.326 20 30 FEEDRO C=CCNC(=O)C[NH2+][C@@H](Cc1ccc(F)cc1)[C@H]1COc2ccccc2O1 ZINC000429238444 559793553 /nfs/dbraw/zinc/79/35/53/559793553.db2.gz RHUFCKWPTVANDR-FXAWDEMLSA-N 1 0 370.424 2.469 20 30 FEEDRO C[C@@H]1CC[C@@H]([N@H+](CCO)CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1 ZINC000429773989 559805360 /nfs/dbraw/zinc/80/53/60/559805360.db2.gz SAFLQQHEOBJAPG-CRAIPNDOSA-N 1 0 367.453 2.165 20 30 FEEDRO C[N@@H+]1CCN(CCCNC(=O)c2ccc(C#N)o2)[C@H](c2ccccc2)C1 ZINC000429855652 559807269 /nfs/dbraw/zinc/80/72/69/559807269.db2.gz DJBMVRRGQQAQEA-SFHVURJKSA-N 1 0 352.438 2.260 20 30 FEEDRO N#CCC1(CNC(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000430172766 559814665 /nfs/dbraw/zinc/81/46/65/559814665.db2.gz VIXALGCNJVVUOB-UHFFFAOYSA-N 1 0 355.486 2.192 20 30 FEEDRO C=CCc1cc(CNC(=O)[C@]2(CCOC)CC[NH2+]C2)cc(OC)c1OC ZINC000430265469 559816540 /nfs/dbraw/zinc/81/65/40/559816540.db2.gz VFZMJFFZDGUHTM-FQEVSTJZSA-N 1 0 362.470 2.065 20 30 FEEDRO C[C@H](c1cccc(C#N)c1)[N@H+](C)CCOc1ccc(S(N)(=O)=O)cc1 ZINC000433062015 559870927 /nfs/dbraw/zinc/87/09/27/559870927.db2.gz RKTLCUFOJXFRIS-CQSZACIVSA-N 1 0 359.451 2.277 20 30 FEEDRO N#Cc1ccc(CS(=O)(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)c(F)c1 ZINC000434778279 559909181 /nfs/dbraw/zinc/90/91/81/559909181.db2.gz WIBRXKZPRKKTQD-INIZCTEOSA-N 1 0 351.447 2.134 20 30 FEEDRO COC(=O)[C@@H]1CC[N@H+](Cc2cn(CCC#N)nc2-c2ccncc2)[C@H]1C ZINC000434983830 559913724 /nfs/dbraw/zinc/91/37/24/559913724.db2.gz UKAUQTZBRXKIEQ-WMLDXEAASA-N 1 0 353.426 2.242 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1cc(N2CCOCC2)ccn1)C(C)C ZINC000439266029 559991133 /nfs/dbraw/zinc/99/11/33/559991133.db2.gz AQPVBTBNHGDUHJ-FQEVSTJZSA-N 1 0 372.513 2.347 20 30 FEEDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNS(=O)(=O)Cc2ccc(C#N)cc2F)C1 ZINC000440042681 560003658 /nfs/dbraw/zinc/00/36/58/560003658.db2.gz BHBDSSDQMLVNNJ-GASCZTMLSA-N 1 0 367.490 2.485 20 30 FEEDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)Cc1ccc(C#N)cc1F ZINC000440043667 560003662 /nfs/dbraw/zinc/00/36/62/560003662.db2.gz NKDUNXAQDRHNJV-ZNMIVQPWSA-N 1 0 367.490 2.483 20 30 FEEDRO CCN1C[C@H](C)N(C(=O)C(=O)Nc2ccc(OC(C)C)c(C#N)c2)C[C@@H]1C ZINC000441088755 560023437 /nfs/dbraw/zinc/02/34/37/560023437.db2.gz QSAHWHCEUDEPIS-GJZGRUSLSA-N 1 0 372.469 2.225 20 30 FEEDRO C[NH+](C)CCOc1ccc(CCNC(=O)c2ccc(C#N)c(O)c2)cc1 ZINC000442956047 560063694 /nfs/dbraw/zinc/06/36/94/560063694.db2.gz NDDBWLPMARYLSU-UHFFFAOYSA-N 1 0 353.422 2.177 20 30 FEEDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)c1ccc(F)cc1C#N ZINC000443357937 560081879 /nfs/dbraw/zinc/08/18/79/560081879.db2.gz FOBMNRIMZAKIFE-HZSPNIEDSA-N 1 0 353.463 2.342 20 30 FEEDRO C=CC[C@@H]1N(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CCCC1(C)C ZINC000445153250 560129975 /nfs/dbraw/zinc/12/99/75/560129975.db2.gz SOAQNYLZEILHEF-IRXDYDNUSA-N 1 0 364.534 2.350 20 30 FEEDRO C=CCNC(=O)Nc1ccc(NC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@H]3C2(C)C)cc1 ZINC000446386979 560145414 /nfs/dbraw/zinc/14/54/14/560145414.db2.gz UPRMPQSUJSFQJT-JXXFODFXSA-N 1 0 372.469 2.465 20 30 FEEDRO C=CCc1ccccc1OC[C@H](O)C[N@H+]1C[C@@H](C)OC2(CCOCC2)C1 ZINC000447820799 560170106 /nfs/dbraw/zinc/17/01/06/560170106.db2.gz HZLVANMKAHRTAE-IEBWSBKVSA-N 1 0 361.482 2.425 20 30 FEEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@@H](CO)[C@@H]1CCCO1 ZINC000447919306 560173035 /nfs/dbraw/zinc/17/30/35/560173035.db2.gz DQKWZALNOWJWLW-KBMXLJTQSA-N 1 0 363.483 2.149 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)Nc1ccc(C(=O)NCC[NH+](CC)CC)cc1 ZINC000448560575 560190101 /nfs/dbraw/zinc/19/01/01/560190101.db2.gz HZRGWOKTNXZFQQ-MSOLQXFVSA-N 1 0 359.470 2.288 20 30 FEEDRO C[C@@H]1C[C@]1(C#N)C(=O)NCc1cccc(OCC[N@H+](C)C2CCOCC2)c1 ZINC000448892541 560205084 /nfs/dbraw/zinc/20/50/84/560205084.db2.gz CSLSHBVAWLDJGZ-IIBYNOLFSA-N 1 0 371.481 2.342 20 30 FEEDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc(C#N)c1Br ZINC000448905675 560205759 /nfs/dbraw/zinc/20/57/59/560205759.db2.gz ABWZQNIDVHXXLU-CYBMUJFWSA-N 1 0 366.259 2.161 20 30 FEEDRO CC[N@@H+]1CCCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1 ZINC000448939225 560208032 /nfs/dbraw/zinc/20/80/32/560208032.db2.gz BHJMCLMUIFQTLW-OAHLLOKOSA-N 1 0 374.872 2.119 20 30 FEEDRO CC[NH+](CC)CCNC(=O)COc1cccc(Br)c1C#N ZINC000449042946 560214081 /nfs/dbraw/zinc/21/40/81/560214081.db2.gz VKLVIOOWSXHYHN-UHFFFAOYSA-N 1 0 354.248 2.158 20 30 FEEDRO CN(C)C(=O)N[C@H]1CCC[N@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000449745992 560238709 /nfs/dbraw/zinc/23/87/09/560238709.db2.gz PPLPZVMJPBCLPS-SFHVURJKSA-N 1 0 366.469 2.194 20 30 FEEDRO CC[N@@H+]1CC[C@H](CNC(=O)COc2ccc(C#N)c(Br)c2)C1 ZINC000449792285 560240024 /nfs/dbraw/zinc/24/00/24/560240024.db2.gz WFRIBRXCWPKODI-GFCCVEGCSA-N 1 0 366.259 2.158 20 30 FEEDRO CN(C(=O)c1ccc(C#N)n1C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000450229055 560254709 /nfs/dbraw/zinc/25/47/09/560254709.db2.gz WDDPLFBOSKVOCN-OALUTQOASA-N 1 0 371.529 2.306 20 30 FEEDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 ZINC000450351551 560259476 /nfs/dbraw/zinc/25/94/76/560259476.db2.gz VJYNITFSEUGVHU-NFAWXSAZSA-N 1 0 374.872 2.116 20 30 FEEDRO C[C@@H]1[C@H](NC(=O)COc2ccc(C#N)c(Br)c2)CCC[N@@H+]1C ZINC000450545994 560265584 /nfs/dbraw/zinc/26/55/84/560265584.db2.gz CVVLIVMEWCGXTG-IAQYHMDHSA-N 1 0 366.259 2.298 20 30 FEEDRO CC(=O)N1CCC[N@H+](C[C@@H]2CCCN(c3nccc(C)c3C#N)C2)CC1 ZINC000450763647 560272599 /nfs/dbraw/zinc/27/25/99/560272599.db2.gz BLGFQVFLNRPKPG-SFHVURJKSA-N 1 0 355.486 2.032 20 30 FEEDRO C[C@H](CNS(=O)(=O)c1ccc(CC#N)cc1Cl)C[NH+]1CCCC1 ZINC000451093865 560286598 /nfs/dbraw/zinc/28/65/98/560286598.db2.gz ZIYFUBUKDLWEKS-CYBMUJFWSA-N 1 0 355.891 2.416 20 30 FEEDRO C[C@@H](C[NH+]1CCCCCC1)NS(=O)(=O)Cc1ccc(F)cc1C#N ZINC000451406680 560304930 /nfs/dbraw/zinc/30/49/30/560304930.db2.gz KDKNSVOFXLJBBR-AWEZNQCLSA-N 1 0 353.463 2.381 20 30 FEEDRO CC(C)[C@@H](CO)[C@@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)C(C)C ZINC000451597716 560316673 /nfs/dbraw/zinc/31/66/73/560316673.db2.gz NBBHKEBCWHDIPL-MSOLQXFVSA-N 1 0 352.500 2.211 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](C)C(=O)N(C)CCOc1ccc(Cl)cc1 ZINC000451607691 560317094 /nfs/dbraw/zinc/31/70/94/560317094.db2.gz QDGILEDUIFDIBH-XKQJLSEDSA-N 1 0 352.862 2.499 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]CC(=O)N(CCC)CC(=O)Nc1ccccc1C ZINC000451675950 560321376 /nfs/dbraw/zinc/32/13/76/560321376.db2.gz DEEQSJFDCWTVGP-MOPGFXCFSA-N 1 0 373.497 2.495 20 30 FEEDRO CC[N@@H+]1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)[C@H](C)C1 ZINC000451678784 560321491 /nfs/dbraw/zinc/32/14/91/560321491.db2.gz NRBIYVODYJRFSZ-UKRRQHHQSA-N 1 0 374.872 2.117 20 30 FEEDRO C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C[C@H](C)[N@H+]1C ZINC000452152328 560353808 /nfs/dbraw/zinc/35/38/08/560353808.db2.gz MZNWNFQFPVIYGT-GUTXKFCHSA-N 1 0 374.872 2.116 20 30 FEEDRO C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C[C@H](C)[N@H+]1C ZINC000452152330 560353875 /nfs/dbraw/zinc/35/38/75/560353875.db2.gz MZNWNFQFPVIYGT-VNHYZAJKSA-N 1 0 374.872 2.116 20 30 FEEDRO CSc1nc(C2CC2)cc(C(=O)NC[C@@H]2CCC[N@@H+]2CCCO)c1C#N ZINC000452779224 560373693 /nfs/dbraw/zinc/37/36/93/560373693.db2.gz FROCCNZROXJQRK-AWEZNQCLSA-N 1 0 374.510 2.129 20 30 FEEDRO CC(=O)Nc1ccc(C[NH+]2CCC(NC(=O)c3ccc(C#N)[nH]3)CC2)cc1 ZINC000453001472 560380538 /nfs/dbraw/zinc/38/05/38/560380538.db2.gz CZPGDRABTARTPS-UHFFFAOYSA-N 1 0 365.437 2.239 20 30 FEEDRO C=C(C)Cn1c([C@H]2CCCO2)nnc1N1CC[N@H+](CCOC)[C@@H](CC)C1 ZINC000453465847 560387447 /nfs/dbraw/zinc/38/74/47/560387447.db2.gz NJEAQPJDXXCNNG-DLBZAZTESA-N 1 0 363.506 2.253 20 30 FEEDRO N#CCc1ccc(NC(=O)C(=O)NCCC[NH+]2CCCCC2)c(Cl)c1 ZINC000453563955 560388948 /nfs/dbraw/zinc/38/89/48/560388948.db2.gz AEEJGQIYUDLMAE-UHFFFAOYSA-N 1 0 362.861 2.337 20 30 FEEDRO CCC(CC)[C@H](CNC(=O)C(=O)Nc1ccc(C#N)c(C)n1)[NH+]1CCCC1 ZINC000453570925 560389037 /nfs/dbraw/zinc/38/90/37/560389037.db2.gz LHCDCBKSPRXZFK-KRWDZBQOSA-N 1 0 371.485 2.217 20 30 FEEDRO C[NH+](C)C1(CNC(=O)C(=O)Nc2ccc(CC#N)cc2Cl)CCCC1 ZINC000453575831 560389254 /nfs/dbraw/zinc/38/92/54/560389254.db2.gz LSUVGVQDEPWODL-UHFFFAOYSA-N 1 0 362.861 2.335 20 30 FEEDRO C[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccc(CC#N)cc2Cl)C[N@@H+]1C1CC1 ZINC000453681427 560396314 /nfs/dbraw/zinc/39/63/14/560396314.db2.gz UYCIBLPBBKJVJV-YPMHNXCESA-N 1 0 360.845 2.086 20 30 FEEDRO Cc1cc(C#N)cc(NC(=O)C(=O)NC2CC[NH+](C3CCCC3)CC2)c1 ZINC000453692041 560397077 /nfs/dbraw/zinc/39/70/77/560397077.db2.gz JQYUWPXVIQWBPW-UHFFFAOYSA-N 1 0 354.454 2.328 20 30 FEEDRO C[C@@H]1[C@@H](NC(=O)C(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)CCC[N@@H+]1C ZINC000453698900 560397724 /nfs/dbraw/zinc/39/77/24/560397724.db2.gz JRKUPMYIXWUQHO-CJNGLKHVSA-N 1 0 372.469 2.273 20 30 FEEDRO C[C@H]1C[C@@H](N(C)C(=O)C(=O)Nc2ccc(CC#N)cc2Cl)CC[N@@H+]1C ZINC000453713415 560398966 /nfs/dbraw/zinc/39/89/66/560398966.db2.gz IFBARBBEZMUTEX-JSGCOSHPSA-N 1 0 362.861 2.286 20 30 FEEDRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccc(CC#N)cc1Cl ZINC000453714848 560399043 /nfs/dbraw/zinc/39/90/43/560399043.db2.gz QSHFJLRXDZKOON-HUUCEWRRSA-N 1 0 374.872 2.430 20 30 FEEDRO Cc1nc(NC(=O)C(=O)N[C@H](C)[C@H](c2ccccc2)[NH+](C)C)ccc1C#N ZINC000453732192 560400204 /nfs/dbraw/zinc/40/02/04/560400204.db2.gz CVWCNMOVOYDCPW-RDTXWAMCSA-N 1 0 365.437 2.008 20 30 FEEDRO Cc1cc(C#N)cc(NC(=O)C(=O)N2CC[N@@H+](C3CCC3)C[C@H](C)C2)c1 ZINC000453767087 560402777 /nfs/dbraw/zinc/40/27/77/560402777.db2.gz SBWVONVZCVGKRV-HNNXBMFYSA-N 1 0 354.454 2.138 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1NC(=O)C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000453933944 560414409 /nfs/dbraw/zinc/41/44/09/560414409.db2.gz LRBDKJPQRALEHB-LZQZEXGQSA-N 1 0 371.481 2.317 20 30 FEEDRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(CC#N)cc2Cl)C1 ZINC000454110145 560430072 /nfs/dbraw/zinc/43/00/72/560430072.db2.gz UERLAVQBZYYLNG-CQSZACIVSA-N 1 0 362.861 2.286 20 30 FEEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000454116817 560430649 /nfs/dbraw/zinc/43/06/49/560430649.db2.gz XUAPVABQJOSESC-MRXNPFEDSA-N 1 0 372.469 2.225 20 30 FEEDRO C[N@H+](CCCCNC(=O)Nc1cnn(-c2ncccc2C#N)c1)C1CC1 ZINC000455133481 560471399 /nfs/dbraw/zinc/47/13/99/560471399.db2.gz DFSYUZZGCJPIMI-UHFFFAOYSA-N 1 0 353.430 2.135 20 30 FEEDRO COc1c[nH+]ccc1N1CCN(C(=O)NCc2ccc(C#N)c(F)c2)CC1 ZINC000455537928 560486146 /nfs/dbraw/zinc/48/61/46/560486146.db2.gz JGZKYLSIISPAHQ-UHFFFAOYSA-N 1 0 369.400 2.133 20 30 FEEDRO CC[NH+]1CCN([C@H]2CCN(C(=O)C(C)(C)Cc3ccc(C#N)cc3)C2)CC1 ZINC000455557192 560487044 /nfs/dbraw/zinc/48/70/44/560487044.db2.gz ZCDAVODVGIFMHV-FQEVSTJZSA-N 1 0 368.525 2.365 20 30 FEEDRO C[C@H](CNC(=O)Nc1ccc(CC#N)cc1Cl)C[NH+]1CCN(C)CC1 ZINC000455698235 560492130 /nfs/dbraw/zinc/49/21/30/560492130.db2.gz FSMBBUNRHHHCDS-CQSZACIVSA-N 1 0 363.893 2.411 20 30 FEEDRO N#CCc1ccc(NC(=O)N[C@H]2CCC[N@@H+](CCCO)C2)c(Cl)c1 ZINC000455735271 560493247 /nfs/dbraw/zinc/49/32/47/560493247.db2.gz QGNVHDRCOZMCDD-AWEZNQCLSA-N 1 0 350.850 2.374 20 30 FEEDRO N#CCc1ccc(NC(=O)NC[C@H]2CCCC[N@H+]2CCO)c(Cl)c1 ZINC000455735238 560493258 /nfs/dbraw/zinc/49/32/58/560493258.db2.gz QEVAYKKBMRQOFJ-CQSZACIVSA-N 1 0 350.850 2.374 20 30 FEEDRO C=CCC[C@H](NC(=O)c1ccc(CN2CC[NH+](C)CC2)cc1)C(=O)OCC ZINC000456631650 560526483 /nfs/dbraw/zinc/52/64/83/560526483.db2.gz SNKWDZUYESMUMX-IBGZPJMESA-N 1 0 373.497 2.062 20 30 FEEDRO C=CCC[C@@H](NC(=O)CC1([NH+]2CCOCC2)CCCC1)C(=O)OCC ZINC000456630120 560526500 /nfs/dbraw/zinc/52/65/00/560526500.db2.gz PXVQYBGZEMLFND-MRXNPFEDSA-N 1 0 352.475 2.036 20 30 FEEDRO COc1cc(CN2CC[C@@H](NC(=O)N(C)CC(C)(C)C#N)C2)cc(OC)c1 ZINC000458523303 560629700 /nfs/dbraw/zinc/62/97/00/560629700.db2.gz IBKBXVAJRFQXJL-MRXNPFEDSA-N 1 0 374.485 2.469 20 30 FEEDRO COc1cc(CN2CC[C@H](NC(=O)N(C)CC(C)(C)C#N)C2)cc(OC)c1 ZINC000458523293 560629757 /nfs/dbraw/zinc/62/97/57/560629757.db2.gz IBKBXVAJRFQXJL-INIZCTEOSA-N 1 0 374.485 2.469 20 30 FEEDRO C[N@H+](CCCCNC(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1)C1CC1 ZINC000459174376 560672367 /nfs/dbraw/zinc/67/23/67/560672367.db2.gz ZXKWYNUOGOAPGB-HXUWFJFHSA-N 1 0 369.513 2.280 20 30 FEEDRO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459641993 560699465 /nfs/dbraw/zinc/69/94/65/560699465.db2.gz MSCBDWQTWNSNIZ-KGLIPLIRSA-N 1 0 361.408 2.428 20 30 FEEDRO CN(CCOCc1ccc(C#N)cc1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000460133685 560735943 /nfs/dbraw/zinc/73/59/43/560735943.db2.gz YUTYTYJBWRFOLK-MOPGFXCFSA-N 1 0 356.470 2.343 20 30 FEEDRO CN(C)c1ccc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)nc1 ZINC000460209276 560737970 /nfs/dbraw/zinc/73/79/70/560737970.db2.gz JBDSKZHEELJEIE-UHFFFAOYSA-N 1 0 351.454 2.223 20 30 FEEDRO C=C(C)Cn1c(C(=O)NC(C)C)nnc1N(C)[C@@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000460379400 560742674 /nfs/dbraw/zinc/74/26/74/560742674.db2.gz HQOXRJUAJQHBOB-JKSUJKDBSA-N 1 0 362.522 2.301 20 30 FEEDRO C=C(C)Cn1c([C@@H](C)OCCOC)nnc1N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000460768341 560751329 /nfs/dbraw/zinc/75/13/29/560751329.db2.gz KYNSOEZIIMOWRQ-NVXWUHKLSA-N 1 0 363.506 2.251 20 30 FEEDRO CC[N@@H+]1C[C@H](C)N(C(=O)Nc2cnn(-c3ncccc3C#N)c2)C[C@@H]1C ZINC000462078781 560795637 /nfs/dbraw/zinc/79/56/37/560795637.db2.gz AODWOBIRCZMTME-KBPBESRZSA-N 1 0 353.430 2.085 20 30 FEEDRO C[C@H](C(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1)c1cccc(C#N)c1 ZINC000462153314 560799574 /nfs/dbraw/zinc/79/95/74/560799574.db2.gz WZTHSGMBDQSZBS-KRWDZBQOSA-N 1 0 354.498 2.148 20 30 FEEDRO COC(=O)C[C@@]1([NH2+]CC#Cc2ccc(OC(F)(F)F)cc2)CCOC1 ZINC000464593738 560846245 /nfs/dbraw/zinc/84/62/45/560846245.db2.gz NUTMGNFROYBEPV-INIZCTEOSA-N 1 0 357.328 2.249 20 30 FEEDRO COC1CC[NH+](C(C)(C)CNC(=O)NCCOc2ccc(C#N)cc2)CC1 ZINC000465906745 560875811 /nfs/dbraw/zinc/87/58/11/560875811.db2.gz HXZYXBADQRNJTJ-UHFFFAOYSA-N 1 0 374.485 2.126 20 30 FEEDRO CCNC(=O)COc1ccc(C[NH2+]CCc2cccc(C#N)c2)cc1OC ZINC000466422764 560886820 /nfs/dbraw/zinc/88/68/20/560886820.db2.gz ONIRSGGIRFSVSX-UHFFFAOYSA-N 1 0 367.449 2.414 20 30 FEEDRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)NCCc2cccc(C#N)c2)C1 ZINC000466813677 560896240 /nfs/dbraw/zinc/89/62/40/560896240.db2.gz GVBPWGSXZWXUED-LJQANCHMSA-N 1 0 358.486 2.243 20 30 FEEDRO C[C@@H](C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)n1cnc(C#N)n1 ZINC000466984919 560900898 /nfs/dbraw/zinc/90/08/98/560900898.db2.gz GZFCOHGRVCVNMB-HNNXBMFYSA-N 1 0 352.442 2.013 20 30 FEEDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)CCC(=O)N(CCC#N)c1ccccc1 ZINC000467022143 560901770 /nfs/dbraw/zinc/90/17/70/560901770.db2.gz HCFSLQYJDLFONU-APWZRJJASA-N 1 0 368.481 2.312 20 30 FEEDRO CCOC(=O)C1CCN(C(=O)C[C@@H](C)[NH2+]CCc2cccc(C#N)c2)CC1 ZINC000467447850 560910103 /nfs/dbraw/zinc/91/01/03/560910103.db2.gz JGZDOWCJGCKWJI-MRXNPFEDSA-N 1 0 371.481 2.271 20 30 FEEDRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cc(-c3cccc(C#N)c3)no2)C1 ZINC000468509173 560931840 /nfs/dbraw/zinc/93/18/40/560931840.db2.gz BCFZVZWUVANVAA-KRWDZBQOSA-N 1 0 368.437 2.300 20 30 FEEDRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1cn(CCCC#N)c2ccccc12 ZINC000469367725 560953376 /nfs/dbraw/zinc/95/33/76/560953376.db2.gz QEZAYDUFCWWUCW-KRWDZBQOSA-N 1 0 367.497 2.311 20 30 FEEDRO CC[N@H+](Cc1ccc(C(=O)N(C)C)cc1)[C@H](C)C(=O)NC1(C#N)CCC1 ZINC000469598810 560959172 /nfs/dbraw/zinc/95/91/72/560959172.db2.gz MNWIJOGAMIXGSC-OAHLLOKOSA-N 1 0 356.470 2.161 20 30 FEEDRO CCN(CC)C(=O)CCC1CC[NH+]([C@H](C)C(=O)NC2(C#N)CCC2)CC1 ZINC000469759738 560963815 /nfs/dbraw/zinc/96/38/15/560963815.db2.gz CKYTYTYOKPAEED-MRXNPFEDSA-N 1 0 362.518 2.298 20 30 FEEDRO C=CCOCCC[N@@H+]1CCC[C@H](S(=O)(=O)N2CCc3ccccc32)C1 ZINC000470757127 560988933 /nfs/dbraw/zinc/98/89/33/560988933.db2.gz RBKDNKUMLRUYGT-SFHVURJKSA-N 1 0 364.511 2.436 20 30 FEEDRO C=CCOCCC[NH+]1CCN(CC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000470763529 560989113 /nfs/dbraw/zinc/98/91/13/560989113.db2.gz DNJPYQRRQOUWQD-UHFFFAOYSA-N 1 0 351.878 2.489 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCCN(CCC)C(=O)C1)C(C)C ZINC000472093915 561017858 /nfs/dbraw/zinc/01/78/58/561017858.db2.gz JVTPTHURAFNMNK-GOSISDBHSA-N 1 0 364.534 2.339 20 30 FEEDRO CS(=O)(=O)N[C@H]1CCCC[C@H]1[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000472623552 561031243 /nfs/dbraw/zinc/03/12/43/561031243.db2.gz MARIOJWDJAFLAV-MSOLQXFVSA-N 1 0 365.499 2.319 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N2C[C@H](CC)N(C(C)=O)C[C@H]2CC)CC1 ZINC000472999304 561039964 /nfs/dbraw/zinc/03/99/64/561039964.db2.gz ITUDENSZYFVRAQ-ZWKOTPCHSA-N 1 0 350.507 2.068 20 30 FEEDRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C[C@@H](CC#N)c1ccccc1 ZINC000475530825 561099482 /nfs/dbraw/zinc/09/94/82/561099482.db2.gz OTSRPZPVPVBNHD-MOPGFXCFSA-N 1 0 370.497 2.133 20 30 FEEDRO Cc1c(C#N)cccc1NC(=O)C(=O)NCc1ccc(C[NH+](C)C)c(F)c1 ZINC000476472733 561120326 /nfs/dbraw/zinc/12/03/26/561120326.db2.gz UMZMUHKSJGEJIH-UHFFFAOYSA-N 1 0 368.412 2.322 20 30 FEEDRO CC(=O)Nc1cc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)ccn1 ZINC000528033278 562311873 /nfs/dbraw/zinc/31/18/73/562311873.db2.gz YOHGRTZKVGUHGB-UHFFFAOYSA-N 1 0 365.437 2.116 20 30 FEEDRO CO[C@@H](Cc1ccc(F)cc1)C[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000528339884 562323504 /nfs/dbraw/zinc/32/35/04/562323504.db2.gz IECZRFUALWKQQA-IBGZPJMESA-N 1 0 354.429 2.472 20 30 FEEDRO CC(C)(C)C(=O)NC[C@H]1CCC[N@H+](C[C@@H](O)COc2ccccc2C#N)C1 ZINC000528380996 562325916 /nfs/dbraw/zinc/32/59/16/562325916.db2.gz LBWKBAFRWZRFKL-SJLPKXTDSA-N 1 0 373.497 2.172 20 30 FEEDRO CO[C@@H](Cc1ccc(F)cc1)C[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000528449524 562329998 /nfs/dbraw/zinc/32/99/98/562329998.db2.gz MHORVEQOHBBIBG-IBGZPJMESA-N 1 0 354.429 2.472 20 30 FEEDRO CN1CC[C@H]([NH2+]C[C@@H](O)COc2ccccc2C#N)[C@H]1c1ccccc1 ZINC000528490448 562331996 /nfs/dbraw/zinc/33/19/96/562331996.db2.gz KBBJNBFVAUEQNY-SVFBPWRDSA-N 1 0 351.450 2.333 20 30 FEEDRO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](O)COc1ccccc1C#N ZINC000528493337 562332196 /nfs/dbraw/zinc/33/21/96/562332196.db2.gz PPUWDEHPDLSKNT-CEXWTWQISA-N 1 0 364.449 2.352 20 30 FEEDRO N#Cc1ccccc1OC[C@@H](O)CN1CCC2(C1)Oc1ccccc1O2 ZINC000528503205 562332914 /nfs/dbraw/zinc/33/29/14/562332914.db2.gz JFDVGCDWGGKARD-INIZCTEOSA-N 1 0 352.390 2.171 20 30 FEEDRO CC1(C)CN(CC#CCN2C(=O)c3ccccc3C2=O)[C@H]1[C@H]1CCCO1 ZINC000528504115 562332937 /nfs/dbraw/zinc/33/29/37/562332937.db2.gz MQZIDTXJLWPXOS-MSOLQXFVSA-N 1 0 352.434 2.175 20 30 FEEDRO CC(C)[C@H]1CN(CC(=O)NC2(C#N)CCC2)CC[N@@H+]1Cc1ccccc1 ZINC000528639199 562339591 /nfs/dbraw/zinc/33/95/91/562339591.db2.gz KUDYSZDBYYNQAK-LJQANCHMSA-N 1 0 354.498 2.391 20 30 FEEDRO CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH2+][C@@H](c2ccccn2)C2CCC2)CC1 ZINC000528654310 562340550 /nfs/dbraw/zinc/34/05/50/562340550.db2.gz BOLOQUMZBSVNAB-TZIWHRDSSA-N 1 0 369.513 2.205 20 30 FEEDRO N#Cc1ccc(OC[C@@H](O)CN2CCc3nc(C4CC4)ncc3C2)cc1 ZINC000528736376 562344989 /nfs/dbraw/zinc/34/49/89/562344989.db2.gz CEGCPDKYAKGBGE-KRWDZBQOSA-N 1 0 350.422 2.024 20 30 FEEDRO N#CCc1ccc(OC[C@@H](O)CN2CCc3nc(C4CC4)ncc3C2)cc1 ZINC000528736740 562345059 /nfs/dbraw/zinc/34/50/59/562345059.db2.gz GIMBSVOQHBXBAQ-SFHVURJKSA-N 1 0 364.449 2.218 20 30 FEEDRO COCc1ccc(NC(=O)N2CC[NH+](C(C)(C)COC)CC2)cc1C#N ZINC000529209032 562364870 /nfs/dbraw/zinc/36/48/70/562364870.db2.gz OTFCTSCFIOPOPA-UHFFFAOYSA-N 1 0 360.458 2.279 20 30 FEEDRO C[C@]1(CO)C[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C[C@@]1(C)CO ZINC000529668793 562380725 /nfs/dbraw/zinc/38/07/25/562380725.db2.gz NSMHWVCLJMCRJN-OYRHEFFESA-N 1 0 368.481 2.277 20 30 FEEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000530026168 562394949 /nfs/dbraw/zinc/39/49/49/562394949.db2.gz AJXZIHUQEUGJMN-GOSISDBHSA-N 1 0 357.502 2.479 20 30 FEEDRO N#Cc1ccccc1OC[C@@H](O)C[NH2+][C@H]1CCN(c2c(F)cccc2F)C1 ZINC000530231562 562403070 /nfs/dbraw/zinc/40/30/70/562403070.db2.gz KJMDESFJQDJOMK-HOTGVXAUSA-N 1 0 373.403 2.445 20 30 FEEDRO C[C@@H]1C[C@H]([NH2+]C[C@H](O)COc2ccccc2C#N)C(=O)N1c1ccccc1 ZINC000530230852 562403084 /nfs/dbraw/zinc/40/30/84/562403084.db2.gz KJMASJHKZPJDKG-MNEFBYGVSA-N 1 0 365.433 2.082 20 30 FEEDRO CC(=O)N1CC[C@@H]([NH2+]C[C@H](O)COc2ccccc2C#N)c2ccccc21 ZINC000530233609 562403176 /nfs/dbraw/zinc/40/31/76/562403176.db2.gz YNHXIEGZZKXVFA-PKOBYXMFSA-N 1 0 365.433 2.385 20 30 FEEDRO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CC[C@@H](Cc2cnn(C)c2)C1 ZINC000530627736 562418308 /nfs/dbraw/zinc/41/83/08/562418308.db2.gz SDZHSYXJHCJCLP-FXAWDEMLSA-N 1 0 355.482 2.453 20 30 FEEDRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)Cc2cccc(C#N)c2)CC1 ZINC000530915093 562428654 /nfs/dbraw/zinc/42/86/54/562428654.db2.gz NOJMGZAEZXRYHF-ROUUACIJSA-N 1 0 354.498 2.118 20 30 FEEDRO CC(C)(O)C[N@H+](Cc1nnc(-c2cccc(C#N)c2)o1)C1CCOCC1 ZINC000530939166 562429260 /nfs/dbraw/zinc/42/92/60/562429260.db2.gz MLPRIBMTGFHIIU-UHFFFAOYSA-N 1 0 356.426 2.360 20 30 FEEDRO CC1CC(C#N)(C(=O)NCCC[N@@H+]2CCN(C)C[C@H]2c2ccccc2)C1 ZINC000531558817 562449735 /nfs/dbraw/zinc/44/97/35/562449735.db2.gz KRPOPFAWZSWAIZ-BIXGBWIQSA-N 1 0 354.498 2.421 20 30 FEEDRO CC(C)[N@H+](C)CC1CCN(CCS(=O)(=O)c2cccc(C#N)c2)CC1 ZINC000532828724 562490029 /nfs/dbraw/zinc/49/00/29/562490029.db2.gz PIPVTWXHVBOLQG-UHFFFAOYSA-N 1 0 363.527 2.384 20 30 FEEDRO C[C@@]1(c2ccc(C[NH2+]Cc3ccc(C#N)cc3F)cc2)NC(=O)NC1=O ZINC000533449484 562509214 /nfs/dbraw/zinc/50/92/14/562509214.db2.gz ZXXSTSMFZIEGNU-IBGZPJMESA-N 1 0 352.369 2.042 20 30 FEEDRO COC(=O)c1ccc(Cl)c(C[N@H+](C)CCCc2[nH]nc(N)c2C#N)c1 ZINC000540964902 562598790 /nfs/dbraw/zinc/59/87/90/562598790.db2.gz BWXJFLOQPADHKF-UHFFFAOYSA-N 1 0 361.833 2.368 20 30 FEEDRO N#CC1(NC(=O)c2cccc3ncnn32)CC[NH+](Cc2ccccc2)CC1 ZINC000541568385 562615526 /nfs/dbraw/zinc/61/55/26/562615526.db2.gz PKIYSBCGRJOMPX-UHFFFAOYSA-N 1 0 360.421 2.017 20 30 FEEDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)N2CCC(CC#N)CC2)[C@H](C)C1 ZINC000541921107 562623409 /nfs/dbraw/zinc/62/34/09/562623409.db2.gz ZOPGGBYGSBQVSE-SJLPKXTDSA-N 1 0 350.507 2.459 20 30 FEEDRO N#Cc1cnn2cc(C[NH2+]C3CCN(Cc4ccc(F)cc4)CC3)cnc12 ZINC000549763606 562639131 /nfs/dbraw/zinc/63/91/31/562639131.db2.gz JASLVSLSIOJHGO-UHFFFAOYSA-N 1 0 364.428 2.494 20 30 FEEDRO Cc1c[nH]c(C(C)(C)NC(=O)C2CCN(c3oc(C)nc3C#N)CC2)n1 ZINC000568068547 567835191 /nfs/dbraw/zinc/83/51/91/567835191.db2.gz LNRXYUSSGQZUGL-UHFFFAOYSA-N 1 0 356.430 2.154 20 30 FEEDRO C=C(C)C[C@H](NC(=O)c1ccc(N2CC[NH+](CC)CC2)cc1)C(=O)OC ZINC000601786135 567840934 /nfs/dbraw/zinc/84/09/34/567840934.db2.gz PIAZWFNVDSGKEI-SFHVURJKSA-N 1 0 359.470 2.066 20 30 FEEDRO CN(CCC#N)C[C@@H](O)C[NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000601969058 567890092 /nfs/dbraw/zinc/89/00/92/567890092.db2.gz RZNPNQSTMIKIPO-XKQJLSEDSA-N 1 0 355.841 2.105 20 30 FEEDRO CN(C(=O)C(=O)Nc1cccc2c1OCC[C@H]2[NH+](C)C)[C@@H]1CCC[C@@H]1C#N ZINC000602068539 567924736 /nfs/dbraw/zinc/92/47/36/567924736.db2.gz QYGWALVMOZRBRY-KBRIMQKVSA-N 1 0 370.453 2.161 20 30 FEEDRO CC1(C(=O)N2CCN(CCC#N)CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000602204586 567951749 /nfs/dbraw/zinc/95/17/49/567951749.db2.gz QUPTWDRJDSMREY-UHFFFAOYSA-N 1 0 354.498 2.347 20 30 FEEDRO N#CC[C@]1(O)CCN(C(=O)N[C@H]2CCCCC[N@H+](Cc3ccccc3)C2)C1 ZINC000602392507 567974966 /nfs/dbraw/zinc/97/49/66/567974966.db2.gz RHHJVGXQEUKPET-FPOVZHCZSA-N 1 0 370.497 2.491 20 30 FEEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000602557804 567991407 /nfs/dbraw/zinc/99/14/07/567991407.db2.gz JGANRLKZLFIOJJ-NQIIRXRSSA-N 1 0 357.498 2.312 20 30 FEEDRO N#CCN1CCC([NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)CC1 ZINC000602538110 567992546 /nfs/dbraw/zinc/99/25/46/567992546.db2.gz IBRFEISBFIDICJ-UHFFFAOYSA-N 1 0 359.249 2.496 20 30 FEEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]CCOc1ccc(S(C)(=O)=O)cc1 ZINC000602539323 567992807 /nfs/dbraw/zinc/99/28/07/567992807.db2.gz JOIQJOASRVSQKF-HNNXBMFYSA-N 1 0 366.483 2.157 20 30 FEEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccc(CS(C)(=O)=O)cc1 ZINC000602587329 567994443 /nfs/dbraw/zinc/99/44/43/567994443.db2.gz ZORCAWAVYACKHY-HNNXBMFYSA-N 1 0 350.484 2.420 20 30 FEEDRO C[C@@H]1C[NH+](C[C@H](O)COc2ccc3ccccc3c2)C[C@@H](C)N1CC#N ZINC000602855368 568002246 /nfs/dbraw/zinc/00/22/46/568002246.db2.gz HKLIKQDWMOXYAB-HLIPFELVSA-N 1 0 353.466 2.498 20 30 FEEDRO C[C@@H](C(=O)N(CCC#N)c1ccccc1)n1cc(C[C@@H]2CCC[NH2+]C2)nn1 ZINC000603181477 568074068 /nfs/dbraw/zinc/07/40/68/568074068.db2.gz XSPQMJDNLUVPKH-IRXDYDNUSA-N 1 0 366.469 2.328 20 30 FEEDRO C[C@H](NC(=O)NC1CCC(Oc2ncccc2C#N)CC1)[C@@H]1CCC[NH2+]C1 ZINC000568731403 568144505 /nfs/dbraw/zinc/14/45/05/568144505.db2.gz PZADBHFQYFWVLS-VFPGXZCRSA-N 1 0 371.485 2.331 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)Cc2ccc(Cl)c(OC)c2)c1C#N ZINC000568714479 568147965 /nfs/dbraw/zinc/14/79/65/568147965.db2.gz VYHLXOFXIGQJKS-UHFFFAOYSA-N 1 0 361.833 2.277 20 30 FEEDRO CCN(Cc1cccc(F)c1)C(=O)CN1CCN([C@H](C#N)C(C)C)CC1 ZINC000609486079 568346188 /nfs/dbraw/zinc/34/61/88/568346188.db2.gz CMAJQSYRGXRFFD-LJQANCHMSA-N 1 0 360.477 2.340 20 30 FEEDRO N#Cc1ccc(C[N@H+]2CCCN(c3nccc4c(=O)[nH]cnc43)CC2)cc1 ZINC000570060556 568442175 /nfs/dbraw/zinc/44/21/75/568442175.db2.gz XCWFJBLITASBEY-UHFFFAOYSA-N 1 0 360.421 2.314 20 30 FEEDRO CN(CC[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1)Cc1cccc(C#N)c1 ZINC000736799017 598945797 /nfs/dbraw/zinc/94/57/97/598945797.db2.gz MFDRIXYCPUTKHF-UHFFFAOYSA-N 1 0 361.453 2.302 20 30 FEEDRO C=CCOc1ccc(C[N@H+]2CCC[C@H](CN(C)S(C)(=O)=O)C2)cc1 ZINC000557520681 674451915 /nfs/dbraw/zinc/45/19/15/674451915.db2.gz FHTICPZQTDQRGH-QGZVFWFLSA-N 1 0 352.500 2.355 20 30 FEEDRO C[C@@H]([NH2+][C@@H]1CCN(c2ccc(C#N)cc2)C1=O)c1cccc(-c2nn[nH]n2)c1 ZINC000820420656 599388692 /nfs/dbraw/zinc/38/86/92/599388692.db2.gz VDWHZHGALUQFKW-FZKQIMNGSA-N 1 0 373.420 2.194 20 30 FEEDRO C[C@@H]([NH2+][C@@H]1CCCN(S(=O)(=O)N(C)C)C1)c1ccc(C#N)cc1Cl ZINC000558259517 674489915 /nfs/dbraw/zinc/48/99/15/674489915.db2.gz SKVSYPXJJPJCFQ-TZMCWYRMSA-N 1 0 370.906 2.133 20 30 FEEDRO Cc1ncc(S(=O)(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)cc1C#N ZINC000559031259 674524849 /nfs/dbraw/zinc/52/48/49/674524849.db2.gz JFCPLGOFZNQJEF-UHFFFAOYSA-N 1 0 350.488 2.003 20 30 FEEDRO C[C@@H]1CN(Cc2ccc(C#N)cc2)CC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC000822000355 606178469 /nfs/dbraw/zinc/17/84/69/606178469.db2.gz JWRLQBSCXNNSID-MRXNPFEDSA-N 1 0 373.464 2.445 20 30 FEEDRO CCN(CCC[NH+]1CCN(c2cnccc2C#N)CC1)CC(F)(F)F ZINC000559259540 674533865 /nfs/dbraw/zinc/53/38/65/674533865.db2.gz FSAMKXZXPZMPHA-UHFFFAOYSA-N 1 0 355.408 2.350 20 30 FEEDRO COCC[N@H+](Cc1ccc(-c2nn[nH]n2)s1)Cc1ccc(C#N)cc1 ZINC000826158741 608566700 /nfs/dbraw/zinc/56/67/00/608566700.db2.gz AOIYREVPVDEBRM-UHFFFAOYSA-N 1 0 354.439 2.448 20 30 FEEDRO CC(C)(CCC#N)C[NH+]1CCN(c2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC000824153018 608638689 /nfs/dbraw/zinc/63/86/89/608638689.db2.gz YHAORRGAQNDRES-UHFFFAOYSA-N 1 0 357.437 2.458 20 30 FEEDRO CC[C@H](C#N)Oc1cc(C[NH2+]C2CCS(=O)(=O)CC2)ccc1OC ZINC000812832006 674701140 /nfs/dbraw/zinc/70/11/40/674701140.db2.gz PLBULRCRICKFEP-OAHLLOKOSA-N 1 0 352.456 2.043 20 30 FEEDRO CN(CCC#N)C[C@H](O)C[NH2+][C@@H]1CCCc2cc(OC(F)F)ccc21 ZINC000562986630 674831196 /nfs/dbraw/zinc/83/11/96/674831196.db2.gz HOIRQTMWKMBMOW-RHSMWYFYSA-N 1 0 353.413 2.461 20 30 FEEDRO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CC[C@@H](c2nnc[nH]2)C1 ZINC000563022173 674835836 /nfs/dbraw/zinc/83/58/36/674835836.db2.gz PGDMTQDXUBHQBW-GHMZBOCLSA-N 1 0 356.455 2.043 20 30 FEEDRO C#CCNC(=O)CC[NH+]1CCC(CCN(C)C(=O)OC(C)(C)C)CC1 ZINC000815078555 674912942 /nfs/dbraw/zinc/91/29/42/674912942.db2.gz CJAVWDVIZGFKJD-UHFFFAOYSA-N 1 0 351.491 2.095 20 30 FEEDRO C#CCNC(=O)CC[NH2+][C@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 ZINC000815118323 674921385 /nfs/dbraw/zinc/92/13/85/674921385.db2.gz ZQDVGWIIQDVKPM-KRWDZBQOSA-N 1 0 354.372 2.136 20 30 FEEDRO N#CCCC[C@@H]([NH3+])C(=O)Nc1cc(-c2ccc(Br)s2)[nH]n1 ZINC000564207493 674983778 /nfs/dbraw/zinc/98/37/78/674983778.db2.gz DFWZFDNMKDTCCT-MRVPVSSYSA-N 1 0 368.260 2.860 20 30 FEEDRO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000564845861 675067243 /nfs/dbraw/zinc/06/72/43/675067243.db2.gz FCCZHQJPHPUNFU-BBWFWOEESA-N 1 0 363.527 2.288 20 30 FEEDRO C[C@H](CN1C[C@H](C)C[C@@H](C)C1)[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000564845862 675067385 /nfs/dbraw/zinc/06/73/85/675067385.db2.gz FCCZHQJPHPUNFU-BRWVUGGUSA-N 1 0 363.527 2.288 20 30 FEEDRO C#CCOc1ccccc1C[NH2+]CCNS(=O)(=O)c1ccc(C)cc1 ZINC000065977338 670436075 /nfs/dbraw/zinc/43/60/75/670436075.db2.gz XLWWZJGMZWNBTE-UHFFFAOYSA-N 1 0 358.463 2.075 20 30 FEEDRO C[NH+]=C(NCc1nccn1C)N(C)Cc1ccc(Br)cc1 ZINC000073761629 670506574 /nfs/dbraw/zinc/50/65/74/670506574.db2.gz ANKXCUCOYNEAMZ-UHFFFAOYSA-N 1 0 350.264 2.390 20 30 FEEDRO C=CCCCNC(=O)C(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1 ZINC000569267950 670534886 /nfs/dbraw/zinc/53/48/86/670534886.db2.gz HMYKCGPASCQGFG-UHFFFAOYSA-N 1 0 351.878 2.313 20 30 FEEDRO C[C@@H]1CN(S(=O)(=O)CC2(C#N)CCC2)CC[N@H+](Cc2ccccc2)C1 ZINC000569796609 670613638 /nfs/dbraw/zinc/61/36/38/670613638.db2.gz YDISEFNRMJHOKN-KRWDZBQOSA-N 1 0 361.511 2.464 20 30 FEEDRO C[NH+]=C(NCc1cc(F)cc(Br)c1)N[C@@H]1CCN(C2CC2)C1 ZINC000083125405 670655479 /nfs/dbraw/zinc/65/54/79/670655479.db2.gz WQBUFHUGXYBRQW-CQSZACIVSA-N 1 0 369.282 2.490 20 30 FEEDRO C[NH+]=C(NC[C@H](c1cccs1)N1CCOCC1)N1CCC(C)CC1 ZINC000114067669 670889418 /nfs/dbraw/zinc/88/94/18/670889418.db2.gz BERBDQUWCULRFP-MRXNPFEDSA-N 1 0 350.532 2.429 20 30 FEEDRO CSC1(CNS(=O)(=O)c2ccc(Cl)cc2C#N)CC[NH+](C)CC1 ZINC000572327170 670987163 /nfs/dbraw/zinc/98/71/63/670987163.db2.gz YGEOTFXQNNEZEC-UHFFFAOYSA-N 1 0 373.931 2.317 20 30 FEEDRO CN(CCC#N)C[C@@H](O)C[NH2+]CCC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000573835860 671170357 /nfs/dbraw/zinc/17/03/57/671170357.db2.gz YOFKBYYMNRTVBX-HNNXBMFYSA-N 1 0 373.284 2.118 20 30 FEEDRO Cc1c(Br)cc(C#N)c(=O)n1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000575992264 671336500 /nfs/dbraw/zinc/33/65/00/671336500.db2.gz WXQBZGCSRIQLDA-UHFFFAOYSA-N 1 0 358.239 2.485 20 30 FEEDRO N#Cc1cc(Br)cc(S(=O)(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000566224483 675195639 /nfs/dbraw/zinc/19/56/39/675195639.db2.gz OIBCZEXCFNDDLK-MFKMUULPSA-N 1 0 372.288 2.117 20 30 FEEDRO C[C@@H]([NH2+]C[C@H](O)CN(C)CCC#N)c1ccc(Br)cc1F ZINC000576817465 671396657 /nfs/dbraw/zinc/39/66/57/671396657.db2.gz IOFPVICIIVKNFQ-YPMHNXCESA-N 1 0 358.255 2.445 20 30 FEEDRO N#Cc1cc(S(=O)(=O)N2CC[C@H]([NH+]3CCCCC3)C2)ccc1Cl ZINC000609353172 675920028 /nfs/dbraw/zinc/92/00/28/675920028.db2.gz JJNPQLICNZPHPN-AWEZNQCLSA-N 1 0 353.875 2.461 20 30 FEEDRO CC(C)C[C@@H](CNS(=O)(=O)N(C)CCC#N)[NH2+][C@H](C)c1ccccc1 ZINC000609545884 675925660 /nfs/dbraw/zinc/92/56/60/675925660.db2.gz RMEVTPTXJYFVEZ-AEFFLSMTSA-N 1 0 366.531 2.432 20 30 FEEDRO CN(CCC#N)C[C@H](O)C[NH2+][C@H]1CCCN(c2ccccc2Cl)C1 ZINC000578499345 671669881 /nfs/dbraw/zinc/66/98/81/671669881.db2.gz JIJRPTXXOKRTQT-JKSUJKDBSA-N 1 0 350.894 2.105 20 30 FEEDRO CN(CCC#N)C[C@H](O)C[NH2+][C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000578998190 671704715 /nfs/dbraw/zinc/70/47/15/671704715.db2.gz PBSMOXSVYKQRRR-ZTFGCOKTSA-N 1 0 368.884 2.020 20 30 FEEDRO N#Cc1cc(S(=O)(=O)N2CCCC[C@H]2[C@H]2CC[NH2+]C2)ccc1Cl ZINC000580174836 671787959 /nfs/dbraw/zinc/78/79/59/671787959.db2.gz PWHAIXUKQMJYON-LRDDRELGSA-N 1 0 353.875 2.364 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)cc1F ZINC000581979315 671955017 /nfs/dbraw/zinc/95/50/17/671955017.db2.gz CYRASOCRDKPQFS-OAHLLOKOSA-N 1 0 351.447 2.336 20 30 FEEDRO N#CCc1ccc(OC[C@H](O)C[NH2+][C@@H]2CCO[C@]3(CCSC3)C2)cc1 ZINC000582482051 672005452 /nfs/dbraw/zinc/00/54/52/672005452.db2.gz RQVSMTOTCLOKKX-ZHALLVOQSA-N 1 0 362.495 2.137 20 30 FEEDRO N#CCc1ccc(OC[C@H](O)C[NH2+][C@@H]2CCO[C@@]3(CCSC3)C2)cc1 ZINC000582482048 672005536 /nfs/dbraw/zinc/00/55/36/672005536.db2.gz RQVSMTOTCLOKKX-LMMKCTJWSA-N 1 0 362.495 2.137 20 30 FEEDRO CC[C@H]([NH2+]C[C@@H]1CCCCN1S(=O)(=O)N(C)C)c1ccc(C#N)cc1 ZINC000583170237 672069696 /nfs/dbraw/zinc/06/96/96/672069696.db2.gz QFXGQEJZLWYBQD-ROUUACIJSA-N 1 0 364.515 2.260 20 30 FEEDRO CN(CC[N@H+](C)C1CC1)C(=O)C(=O)Nc1scc(C(C)(C)C)c1C#N ZINC000583217253 672074627 /nfs/dbraw/zinc/07/46/27/672074627.db2.gz SRAUQWKMZGZTKD-UHFFFAOYSA-N 1 0 362.499 2.408 20 30 FEEDRO C#CCOCCC(=O)NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000132273628 672095948 /nfs/dbraw/zinc/09/59/48/672095948.db2.gz LBOPMJZVTGNUFK-UHFFFAOYSA-N 1 0 363.889 2.008 20 30 FEEDRO C[NH+](C)C[C@H]1CN(S(=O)(=O)c2cccc(C#N)c2)c2ccccc2O1 ZINC000610759578 675994854 /nfs/dbraw/zinc/99/48/54/675994854.db2.gz HYZGVHSKLWUWPR-HNNXBMFYSA-N 1 0 357.435 2.076 20 30 FEEDRO C[NH+]=C(NC[C@@H](C)c1ccc(F)cc1F)N1CCS(=O)(=O)C(C)(C)C1 ZINC000158646645 672271638 /nfs/dbraw/zinc/27/16/38/672271638.db2.gz YCJZAQGTJJWVBP-GFCCVEGCSA-N 1 0 373.469 2.153 20 30 FEEDRO CC(C)(C)OC(=O)N1CCN2C(NCCSC(F)(F)F)=[NH+]C[C@@H]2C1 ZINC000177002011 672378856 /nfs/dbraw/zinc/37/88/56/672378856.db2.gz ABJWWRAICBSARH-SNVBAGLBSA-N 1 0 368.425 2.120 20 30 FEEDRO C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N(C)CCCC[NH+](C)C)cc1 ZINC000588292329 672461509 /nfs/dbraw/zinc/46/15/09/672461509.db2.gz FDNAJYVQMMNSKA-AWEZNQCLSA-N 1 0 366.487 2.178 20 30 FEEDRO C=CCOCC[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000589316850 672521755 /nfs/dbraw/zinc/52/17/55/672521755.db2.gz HNBJDIBJERDUTB-UHFFFAOYSA-N 1 0 362.167 2.492 20 30 FEEDRO CN(C)CC[N@H+](C)CCCN(C)C(=O)NCc1ccc(C#N)c(Cl)c1 ZINC000589649107 672537408 /nfs/dbraw/zinc/53/74/08/672537408.db2.gz ZCQDQGYBXXTJCR-UHFFFAOYSA-N 1 0 365.909 2.237 20 30 FEEDRO CC(C)[C@H]([NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1)C(=O)N1CCCC1 ZINC000611395199 676035448 /nfs/dbraw/zinc/03/54/48/676035448.db2.gz FCDGQPPGEXRMAJ-KRWDZBQOSA-N 1 0 362.861 2.387 20 30 FEEDRO C[C@H](CNC(=O)COc1cccc(Br)c1C#N)[NH+]1CCCC1 ZINC000590664932 672599641 /nfs/dbraw/zinc/59/96/41/672599641.db2.gz GOUONPYHGMUOTC-GFCCVEGCSA-N 1 0 366.259 2.300 20 30 FEEDRO COCC[NH+]1CCC(NC(=O)C#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000190148481 672631273 /nfs/dbraw/zinc/63/12/73/672631273.db2.gz DRDOUXRZLJFERP-UHFFFAOYSA-N 1 0 354.372 2.284 20 30 FEEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+]C2CCC(OC(F)F)CC2)c1 ZINC000591770519 672709892 /nfs/dbraw/zinc/70/98/92/672709892.db2.gz OAAXBLUCDMSNIH-UHFFFAOYSA-N 1 0 358.410 2.472 20 30 FEEDRO C=C[C@@H](O)C(=O)N(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000611721938 676052042 /nfs/dbraw/zinc/05/20/42/676052042.db2.gz NUJDDXTXNIKKDH-HZPDHXFCSA-N 1 0 356.388 2.446 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@H](C(C)C)N2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000592071181 672747091 /nfs/dbraw/zinc/74/70/91/672747091.db2.gz JBBUQNPEJVIJNB-LNLFQRSKSA-N 1 0 351.535 2.277 20 30 FEEDRO N#Cc1ncn(CC[NH2+]Cc2cc(OC(F)F)ccc2Br)n1 ZINC000592366845 672792620 /nfs/dbraw/zinc/79/26/20/672792620.db2.gz DVPQPSNLAVEMHQ-UHFFFAOYSA-N 1 0 372.173 2.303 20 30 FEEDRO CC[NH+]=C(NCC1CCN(S(C)(=O)=O)CC1)NC1C[C@H](C)C[C@@H](C)C1 ZINC000261619039 672900471 /nfs/dbraw/zinc/90/04/71/672900471.db2.gz HJSUQLCNZXRPMY-HUUCEWRRSA-N 1 0 372.579 2.038 20 30 FEEDRO C[NH+]=C(NCC(=O)Nc1ccccc1)N1CCN(c2cccs2)CC1 ZINC000261804097 672903485 /nfs/dbraw/zinc/90/34/85/672903485.db2.gz RVFOTAOAOMPOSD-UHFFFAOYSA-N 1 0 357.483 2.084 20 30 FEEDRO C[NH+]=C(NCC(C)(C)c1ccc(F)cc1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261982114 672906580 /nfs/dbraw/zinc/90/65/80/672906580.db2.gz PEJNYPXBRCXFCE-UHFFFAOYSA-N 1 0 369.506 2.188 20 30 FEEDRO CC[NH+]=C(N[C@@H]1C[C@H]1C1CCCCC1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000262014441 672907983 /nfs/dbraw/zinc/90/79/83/672907983.db2.gz XJVZIIOOVFNEAL-JKSUJKDBSA-N 1 0 355.548 2.430 20 30 FEEDRO CN(C)C(NCc1cccc(NS(C)(=O)=O)c1)=[NH+]Cc1ccccc1 ZINC000262208918 672911186 /nfs/dbraw/zinc/91/11/86/672911186.db2.gz DTBYZSCZVGRDQC-UHFFFAOYSA-N 1 0 360.483 2.266 20 30 FEEDRO CC(C)[C@@H]1CN(C(NCc2cccs2)=[NH+]CC(=O)N(C)C)CCS1 ZINC000262288684 672912766 /nfs/dbraw/zinc/91/27/66/672912766.db2.gz KTSWRLUYSXOFLY-HNNXBMFYSA-N 1 0 368.572 2.355 20 30 FEEDRO [NH2+]=C(NC[C@H]1CCCS(=O)(=O)C1)Nc1cccc(OC(F)(F)F)c1 ZINC000262342078 672913755 /nfs/dbraw/zinc/91/37/55/672913755.db2.gz YRKUEPIPZNDZGH-SNVBAGLBSA-N 1 0 365.377 2.137 20 30 FEEDRO CC1(C[NH+]=C(NC[C@H]2CCS(=O)(=O)C2)NC2CC2)CCCCCC1 ZINC000262345672 672913801 /nfs/dbraw/zinc/91/38/01/672913801.db2.gz DFXRVJZCJMQBMZ-OAHLLOKOSA-N 1 0 355.548 2.479 20 30 FEEDRO CCc1nnc(CNC(=[NH2+])N2CCN(c3ccc(Cl)cc3)CC2)s1 ZINC000262341790 672913862 /nfs/dbraw/zinc/91/38/62/672913862.db2.gz CQSREGUQWHPXFM-UHFFFAOYSA-N 1 0 364.906 2.391 20 30 FEEDRO O=S1(=O)CC[C@H](CNC(N[C@@H]2CC[C@@H]3CCC[C@H]3C2)=[NH+]C2CC2)C1 ZINC000262475592 672916860 /nfs/dbraw/zinc/91/68/60/672916860.db2.gz ZRRIASOBOVRDMJ-WBTNSWJXSA-N 1 0 353.532 2.088 20 30 FEEDRO C[C@@H](CNC(=[NH2+])N1CCO[C@H](C)C1)Oc1cccc(Br)c1 ZINC000262501474 672917002 /nfs/dbraw/zinc/91/70/02/672917002.db2.gz YNDUFHNHOUATRZ-NWDGAFQWSA-N 1 0 356.264 2.252 20 30 FEEDRO CC(C)(C)[S@@](=O)CCNC(=[NH2+])N1CCN(c2ccc(Cl)cc2)CC1 ZINC000262552486 672917780 /nfs/dbraw/zinc/91/77/80/672917780.db2.gz ZDOANBUOYWVGGB-DEOSSOPVSA-N 1 0 370.950 2.324 20 30 FEEDRO C[NH+]=C(NCc1ccc(F)cc1F)NCC1(C(=O)N(C)C)CCCC1 ZINC000262566925 672917823 /nfs/dbraw/zinc/91/78/23/672917823.db2.gz YDNSCPOCHLVYBR-UHFFFAOYSA-N 1 0 352.429 2.278 20 30 FEEDRO CN1CC[NH+]=C1NC[C@@H](c1ccc(Cl)cc1)N1CCOC(C)(C)C1 ZINC000262678378 672919219 /nfs/dbraw/zinc/91/92/19/672919219.db2.gz UWSNRRWUMZGDKP-INIZCTEOSA-N 1 0 350.894 2.383 20 30 FEEDRO CC[NH+]=C(NC[C@]1(N(C)C)CCSC1)N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000262788359 672920967 /nfs/dbraw/zinc/92/09/67/672920967.db2.gz NKEKDMAJVZCEPI-CYJAXWMASA-N 1 0 368.591 2.182 20 30 FEEDRO C[NH+]=C(NCC1CCSCC1)N1CCS(=O)(=O)C2(CCCCC2)C1 ZINC000262827481 672921909 /nfs/dbraw/zinc/92/19/09/672921909.db2.gz YNBAUDNHQRTOJM-UHFFFAOYSA-N 1 0 373.588 2.138 20 30 FEEDRO C=CCN1CC[C@H]([N@H+](C)C[C@@H](O)COc2ccc(Cl)c(Cl)c2)C1=O ZINC000685004369 672984790 /nfs/dbraw/zinc/98/47/90/672984790.db2.gz WRFSXPCOVHASGN-WBMJQRKESA-N 1 0 373.280 2.452 20 30 FEEDRO COc1ccc(Cl)c(N2CCN(C(=O)[C@@H]([NH3+])CCCC#N)CC2)c1 ZINC000593913101 673007185 /nfs/dbraw/zinc/00/71/85/673007185.db2.gz XPOWEKREVHEAHN-HNNXBMFYSA-N 1 0 350.850 2.018 20 30 FEEDRO COc1ccc(NC(=[NH2+])NCC(=O)Nc2ccc(F)c(F)c2F)cc1 ZINC000303771060 673017562 /nfs/dbraw/zinc/01/75/62/673017562.db2.gz CHWOYDCOBRNIRU-UHFFFAOYSA-N 1 0 352.316 2.478 20 30 FEEDRO CCN(CC)[C@H](CNC(=[NH2+])N1CCSCC1)c1cccc(OC)c1 ZINC000303783600 673017618 /nfs/dbraw/zinc/01/76/18/673017618.db2.gz OKAUVDZMWSHLAJ-QGZVFWFLSA-N 1 0 350.532 2.442 20 30 FEEDRO C[NH+]=C(NCCN1CCOCC1)NCC(C)(C)c1ccc(Cl)cc1 ZINC000303891513 673018651 /nfs/dbraw/zinc/01/86/51/673018651.db2.gz QTIMUPDMVVSYJK-UHFFFAOYSA-N 1 0 352.910 2.115 20 30 FEEDRO CC(C)(C)OC(=O)N1CCN(C(=[NH2+])NCCc2ccc(Cl)nc2)CC1 ZINC000305099165 673021181 /nfs/dbraw/zinc/02/11/81/673021181.db2.gz WZCSLKQGPFNSIW-UHFFFAOYSA-N 1 0 367.881 2.145 20 30 FEEDRO N#Cc1c(F)cccc1S(=O)(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000310836170 673026327 /nfs/dbraw/zinc/02/63/27/673026327.db2.gz ZVFCRJYOPDIHFG-HNNXBMFYSA-N 1 0 359.426 2.250 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N(C)CC(=O)N(C)C2CCCCC2)CC1 ZINC000594302719 673055353 /nfs/dbraw/zinc/05/53/53/673055353.db2.gz QMPPULBLLQXNDM-UHFFFAOYSA-N 1 0 350.507 2.069 20 30 FEEDRO N#CCCCC[C@H]([NH3+])C(=O)N[C@@H]1CCCN(c2ccccc2Cl)C1=O ZINC000594433194 673071472 /nfs/dbraw/zinc/07/14/72/673071472.db2.gz MCXRBNOKGVCTKV-LSDHHAIUSA-N 1 0 362.861 2.363 20 30 FEEDRO C[C@@H]1C[N@@H+](CC2CCN(C(=O)NC[C@]3(C)CCOC3)CC2)C[C@H](C)O1 ZINC000329560611 673079358 /nfs/dbraw/zinc/07/93/58/673079358.db2.gz RGZSONFJFUBCKE-FCEWJHQRSA-N 1 0 353.507 2.148 20 30 FEEDRO C[C@@H]1CN(C(=O)NC2CC[NH+](C3CCCCC3)CC2)C[C@@H](C)S1(=O)=O ZINC000329769425 673083105 /nfs/dbraw/zinc/08/31/05/673083105.db2.gz HUHPZLQIQWTOFQ-HUUCEWRRSA-N 1 0 371.547 2.205 20 30 FEEDRO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000725809208 673091481 /nfs/dbraw/zinc/09/14/81/673091481.db2.gz IUJWINKNWSZSMR-HZPDHXFCSA-N 1 0 351.491 2.422 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1Cl ZINC000333869398 673109349 /nfs/dbraw/zinc/10/93/49/673109349.db2.gz RRFOTMKUDQYELD-XJKSGUPXSA-N 1 0 353.875 2.364 20 30 FEEDRO C=C[C@H](CO)[NH2+][C@H](C)CC(=O)Nc1sc(C)c(C)c1C(=O)OCC ZINC000595106801 673194036 /nfs/dbraw/zinc/19/40/36/673194036.db2.gz LNYDJFYKDJKIAP-ZWNOBZJWSA-N 1 0 354.472 2.395 20 30 FEEDRO N#Cc1cc(F)ccc1CS(=O)(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000595410471 673245606 /nfs/dbraw/zinc/24/56/06/673245606.db2.gz KVOZJSOXJVWTBI-UHFFFAOYSA-N 1 0 365.474 2.239 20 30 FEEDRO C#CC[N@H+]1CCC[C@H]1COC(=O)CCn1c(=O)oc2cc(Cl)ccc21 ZINC000729810390 673249357 /nfs/dbraw/zinc/24/93/57/673249357.db2.gz WWURMTZWWANUJE-AWEZNQCLSA-N 1 0 362.813 2.279 20 30 FEEDRO C[N@H+](CCNC(=O)N1CCN(c2ccsc2C#N)CC1)C1CCCC1 ZINC000595496776 673257901 /nfs/dbraw/zinc/25/79/01/673257901.db2.gz ICHKWYUMZJBSGM-UHFFFAOYSA-N 1 0 361.515 2.326 20 30 FEEDRO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCC(F)(F)[C@H](CO)C1)CCC2 ZINC000463222508 673301539 /nfs/dbraw/zinc/30/15/39/673301539.db2.gz MOMWFNPIWCPSLG-NSHDSACASA-N 1 0 369.437 2.387 20 30 FEEDRO N#Cc1sccc1N1CCN(C(=O)[C@@H]2C[NH2+]Cc3ccccc32)CC1 ZINC000595937182 673341904 /nfs/dbraw/zinc/34/19/04/673341904.db2.gz FBGWWOKYRSEKKB-MRXNPFEDSA-N 1 0 352.463 2.155 20 30 FEEDRO COC(=O)/C=C1\SCC(=O)N1CCC[N@H+](CCC#N)CC(C)(C)C ZINC000731848618 673344836 /nfs/dbraw/zinc/34/48/36/673344836.db2.gz WXZHLKZMSLAIBM-PTNGSMBKSA-N 1 0 353.488 2.228 20 30 FEEDRO Cn1c(Sc2nc3ncccc3cc2C#N)nnc1[C@H]1CCC[NH2+]C1 ZINC000596130959 673362011 /nfs/dbraw/zinc/36/20/11/673362011.db2.gz IODIXXZQKCLZHH-LBPRGKRZSA-N 1 0 351.439 2.248 20 30 FEEDRO C=CCCSCCNC(=O)N1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000596717659 673406974 /nfs/dbraw/zinc/40/69/74/673406974.db2.gz OIGXOBOZSLOTLZ-UHFFFAOYSA-N 1 0 368.591 2.496 20 30 FEEDRO CN(C)C(=O)CN(CC[NH+](C)C)Cc1ccc(C#N)cc1C(F)(F)F ZINC000597205713 673456462 /nfs/dbraw/zinc/45/64/62/673456462.db2.gz OYYRUKHQEPOOMN-UHFFFAOYSA-N 1 0 356.392 2.029 20 30 FEEDRO C=CCCSCCNC(=O)C(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000597224033 673458190 /nfs/dbraw/zinc/45/81/90/673458190.db2.gz BZEHVOCHXCJDOW-CRAIPNDOSA-N 1 0 355.548 2.039 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCSC[C@@H]1CCO)C(C)C ZINC000539286944 673482268 /nfs/dbraw/zinc/48/22/68/673482268.db2.gz QGHVTGDSBHNPHA-DLBZAZTESA-N 1 0 355.548 2.194 20 30 FEEDRO C[N@@H+]1CCC[C@H](N2CCN(Cc3cc(Cl)ccc3OCC#N)CC2)C1 ZINC000735310720 673490072 /nfs/dbraw/zinc/49/00/72/673490072.db2.gz CQEPXSPRRPRBAT-SFHVURJKSA-N 1 0 362.905 2.454 20 30 FEEDRO CN(CCC[NH+](C)C)CCNC(=O)c1c(Cl)cc(C#N)cc1Cl ZINC000597990151 673527533 /nfs/dbraw/zinc/52/75/33/673527533.db2.gz ORFOZMXTMQBDBZ-UHFFFAOYSA-N 1 0 357.285 2.478 20 30 FEEDRO CC[C@@H]1CN(C(=O)Cc2ccc(Br)cc2C#N)C[C@H](C)[NH2+]1 ZINC000598532218 673579627 /nfs/dbraw/zinc/57/96/27/673579627.db2.gz VHXMBBPCEXCEKX-XHDPSFHLSA-N 1 0 350.260 2.462 20 30 FEEDRO CC(C)[C@@H]1CN(C(=O)COc2ccc(C#N)c(Br)c2)CC[NH2+]1 ZINC000598575701 673585348 /nfs/dbraw/zinc/58/53/48/673585348.db2.gz WHDJSFNOMABKBW-HNNXBMFYSA-N 1 0 366.259 2.156 20 30 FEEDRO C[N@H+](CCCOc1ccc(S(C)(=O)=O)cc1)C[C@@H](O)CC(C)(C)C#N ZINC000598585917 673586743 /nfs/dbraw/zinc/58/67/43/673586743.db2.gz BKBWILQEOVYCHD-HNNXBMFYSA-N 1 0 368.499 2.092 20 30 FEEDRO Cc1cc(C#N)ccc1S(=O)(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000599105559 673633769 /nfs/dbraw/zinc/63/37/69/673633769.db2.gz YUKSYHVQRMPBCR-QWHCGFSZSA-N 1 0 361.389 2.015 20 30 FEEDRO CC(C)(C)OC(=O)[C@@H]1CCC[N@H+](C[C@@H](O)CC2(C#N)CCOCC2)C1 ZINC000599359379 673663523 /nfs/dbraw/zinc/66/35/23/673663523.db2.gz ACUVJANXKKGNKL-CVEARBPZSA-N 1 0 352.475 2.111 20 30 FEEDRO C[C@H]([NH2+]C[C@H](O)CC1(C#N)CCOCC1)[C@@H]1OCCc2sccc21 ZINC000599426722 673674511 /nfs/dbraw/zinc/67/45/11/673674511.db2.gz OBGQRGOCVLKGPN-VBQJREDUSA-N 1 0 350.484 2.411 20 30 FEEDRO CC[C@](C)(C(=O)OC)[N@H+](C[C@@H](O)CC1(C#N)CCOCC1)CC1CC1 ZINC000599439916 673675740 /nfs/dbraw/zinc/67/57/40/673675740.db2.gz JHIUNJJHHRIXQF-FUHWJXTLSA-N 1 0 352.475 2.111 20 30 FEEDRO CC[C@](C)(C(=O)OC)[N@H+](C[C@H](O)CC1(C#N)CCOCC1)CC1CC1 ZINC000599439917 673675784 /nfs/dbraw/zinc/67/57/84/673675784.db2.gz JHIUNJJHHRIXQF-SJLPKXTDSA-N 1 0 352.475 2.111 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)c2ccc3c(c2)NC(=O)[C@H](C)S3)CC1 ZINC000742180567 673709766 /nfs/dbraw/zinc/70/97/66/673709766.db2.gz ZYHNQNLTLAWRLN-ZDUSSCGKSA-N 1 0 357.479 2.337 20 30 FEEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000599897553 673726893 /nfs/dbraw/zinc/72/68/93/673726893.db2.gz ZVISAJGAXPFSEE-MGPQQGTHSA-N 1 0 360.483 2.276 20 30 FEEDRO COc1cc(F)cc(C[C@@H](C)[NH2+]C[C@@H](O)CC2(C#N)CCOCC2)c1 ZINC000600734769 673795536 /nfs/dbraw/zinc/79/55/36/673795536.db2.gz GADBZDGAGCYPBE-PBHICJAKSA-N 1 0 350.434 2.426 20 30 FEEDRO CC1([NH+]2CCOCC2)CCN(c2cc(C#N)c(Br)cn2)CC1 ZINC000600863598 673803780 /nfs/dbraw/zinc/80/37/80/673803780.db2.gz QBCHCQKBRAUVOT-UHFFFAOYSA-N 1 0 365.275 2.407 20 30 FEEDRO C[NH+](C)C[C@]1(O)CCCN(c2cc(Br)c(C#N)cc2F)C1 ZINC000601188497 673831566 /nfs/dbraw/zinc/83/15/66/673831566.db2.gz HRSPKUAYOMETDC-OAHLLOKOSA-N 1 0 356.239 2.353 20 30 FEEDRO Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000601362715 673848525 /nfs/dbraw/zinc/84/85/25/673848525.db2.gz PIPZIKUFGZBCRS-OAHLLOKOSA-N 1 0 365.474 2.358 20 30 FEEDRO Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000601372447 673850514 /nfs/dbraw/zinc/85/05/14/673850514.db2.gz YFZNQERSFLMEOS-XJKSGUPXSA-N 1 0 351.447 2.111 20 30 FEEDRO C=CCn1c(C)nn(CN2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c1=S ZINC000746653531 673888264 /nfs/dbraw/zinc/88/82/64/673888264.db2.gz XGKCLMYUSAWZMY-OWCLPIDISA-N 1 0 351.520 2.050 20 30 FEEDRO N#Cc1cccc(CN2CCC([NH2+][C@H]3CCCS(=O)(=O)CC3)CC2)c1 ZINC000602028819 673901410 /nfs/dbraw/zinc/90/14/10/673901410.db2.gz QAKCFOOMRFPOPK-SFHVURJKSA-N 1 0 361.511 2.080 20 30 FEEDRO C[N@H+](CC(=O)N1CCC(Nc2ccccc2C#N)CC1)[C@H]1CCSC1 ZINC000602191125 673903220 /nfs/dbraw/zinc/90/32/20/673903220.db2.gz KZYZPQQQXIZTBG-KRWDZBQOSA-N 1 0 358.511 2.398 20 30 FEEDRO CO[C@]1(C(F)(F)F)CCC[N@H+](C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000614924987 676196875 /nfs/dbraw/zinc/19/68/75/676196875.db2.gz QPFUFKJFVHIKKO-GOEBONIOSA-N 1 0 358.360 2.341 20 30 FEEDRO CO[C@@]1(C(F)(F)F)CCC[N@H+](C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000614924989 676196925 /nfs/dbraw/zinc/19/69/25/676196925.db2.gz QPFUFKJFVHIKKO-ZBFHGGJFSA-N 1 0 358.360 2.341 20 30 FEEDRO N#Cc1cccc(C[NH2+]C[C@H](O)COc2ccccc2Br)n1 ZINC000602570680 673907897 /nfs/dbraw/zinc/90/78/97/673907897.db2.gz HOTJCCUVKWDMRX-AWEZNQCLSA-N 1 0 362.227 2.245 20 30 FEEDRO N#Cc1cc(S(N)(=O)=O)ccc1NC1CC[NH+](C2CCCCC2)CC1 ZINC000747227005 673913450 /nfs/dbraw/zinc/91/34/50/673913450.db2.gz UGQIZVFTNNUTCX-UHFFFAOYSA-N 1 0 362.499 2.415 20 30 FEEDRO CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000548832761 673999299 /nfs/dbraw/zinc/99/92/99/673999299.db2.gz NKTPPURFUIYNOK-CJNGLKHVSA-N 1 0 372.922 2.259 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)[C@@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC000818584726 675226067 /nfs/dbraw/zinc/22/60/67/675226067.db2.gz WCWALPMFCLEMKY-IBGZPJMESA-N 1 0 351.491 2.095 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)c1cc2c([nH]c(=O)cc2C(F)(F)F)o1 ZINC000818608950 675228565 /nfs/dbraw/zinc/22/85/65/675228565.db2.gz AHTKMBOIJZPRAF-UHFFFAOYSA-N 1 0 355.316 2.237 20 30 FEEDRO Cc1ccc(OC[C@H](C)[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)cc1 ZINC000818982321 675249398 /nfs/dbraw/zinc/24/93/98/675249398.db2.gz KOAWHVYGETVFIV-HNNXBMFYSA-N 1 0 359.451 2.093 20 30 FEEDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C ZINC000819031990 675254063 /nfs/dbraw/zinc/25/40/63/675254063.db2.gz BDKFFFCCJBEHOD-CABCVRRESA-N 1 0 352.479 2.174 20 30 FEEDRO CC[NH+]1CCC(NC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)CC1 ZINC000819032219 675254201 /nfs/dbraw/zinc/25/42/01/675254201.db2.gz DFEKSXREGQZCJQ-OAHLLOKOSA-N 1 0 352.479 2.174 20 30 FEEDRO N#CCc1ccc(OC[C@H](O)C[NH2+][C@@H]2CC[C@@H]3SCCS[C@@H]23)cc1 ZINC000819196997 675268609 /nfs/dbraw/zinc/26/86/09/675268609.db2.gz GPGBWFKFQJIDPT-BGTYHANMSA-N 1 0 364.536 2.462 20 30 FEEDRO C#CCN(C)CCC[NH2+]CCC(=O)Nc1cccc(Br)c1 ZINC000819335272 675282394 /nfs/dbraw/zinc/28/23/94/675282394.db2.gz URKQVSCLTUPSCK-UHFFFAOYSA-N 1 0 352.276 2.322 20 30 FEEDRO C[C@@H]1C[NH+](C)C[C@@H](C)N1C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C ZINC000819429681 675289762 /nfs/dbraw/zinc/28/97/62/675289762.db2.gz RZGBCPZNOLOVDM-KFWWJZLASA-N 1 0 352.479 2.125 20 30 FEEDRO C=CC1(CC(=O)N(C)C[C@@H]2CCC[N@@H+]2C)CN(C(=O)OC(C)(C)C)C1 ZINC000823133512 675531407 /nfs/dbraw/zinc/53/14/07/675531407.db2.gz NXFHMKGQYNOAGT-HNNXBMFYSA-N 1 0 351.491 2.352 20 30 FEEDRO O=C(C#Cc1cccs1)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000825905884 675673699 /nfs/dbraw/zinc/67/36/99/675673699.db2.gz SNUYEZMNRBYKGT-UHFFFAOYSA-N 1 0 354.475 2.373 20 30 FEEDRO C=CC1(CC(=O)N2CC[NH2+][C@H](C(C)C)C2)CN(C(=O)OC(C)(C)C)C1 ZINC000826762354 675704063 /nfs/dbraw/zinc/70/40/63/675704063.db2.gz GPIYBHNETMVRTF-HNNXBMFYSA-N 1 0 351.491 2.256 20 30 FEEDRO CCCC[C@@H](ON=C(C)C)C(=O)N1CCC([NH+]2CCN(C)CC2)CC1 ZINC000827444756 675756226 /nfs/dbraw/zinc/75/62/26/675756226.db2.gz APSCKTLLRCBJEX-GOSISDBHSA-N 1 0 352.523 2.196 20 30 FEEDRO O=C(C#Cc1cccs1)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000827919540 675787016 /nfs/dbraw/zinc/78/70/16/675787016.db2.gz KTDDUQHJSLHZKB-HKUYNNGSSA-N 1 0 354.475 2.099 20 30 FEEDRO C[C@@H](C(=O)NCC#CC[NH+](C)C)c1ccc(I)cc1 ZINC000827971793 675790055 /nfs/dbraw/zinc/79/00/55/675790055.db2.gz HMKZISFSRLJXLL-GFCCVEGCSA-N 1 0 370.234 2.076 20 30 FEEDRO C#CCN(CC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)C(=O)OC(C)(C)C ZINC000827998362 675791241 /nfs/dbraw/zinc/79/12/41/675791241.db2.gz HMSPEDCCLRPBLW-OAHLLOKOSA-N 1 0 353.507 2.339 20 30 FEEDRO C=CCOc1c(Cl)cc(C[NH2+]CCN2CCC(O)CC2)cc1OC ZINC000623541763 676540103 /nfs/dbraw/zinc/54/01/03/676540103.db2.gz XGOAFAGRZSUVGP-UHFFFAOYSA-N 1 0 354.878 2.460 20 30 FEEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1CC ZINC000627457638 676755729 /nfs/dbraw/zinc/75/57/29/676755729.db2.gz DJRKALFHOSJUTN-QWHCGFSZSA-N 1 0 355.891 2.173 20 30 FEEDRO C=CCOc1c(Cl)cc(CN2CC[N@H+](CCO)[C@@H](C)C2)cc1OC ZINC000628242133 676795443 /nfs/dbraw/zinc/79/54/43/676795443.db2.gz SQHNVMDKTMQAII-AWEZNQCLSA-N 1 0 354.878 2.412 20 30 FEEDRO C=CCN(CC1CCCCC1)S(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000631949220 676966075 /nfs/dbraw/zinc/96/60/75/676966075.db2.gz CGHVTRNWZQWQJO-UHFFFAOYSA-N 1 0 357.564 2.022 20 30 FEEDRO C=CCC[C@H](NS(=O)(=O)CCCN1CC[NH+](C)CC1)c1ccccc1 ZINC000632125924 676977206 /nfs/dbraw/zinc/97/72/06/676977206.db2.gz BKFXAFGUVHVMCQ-IBGZPJMESA-N 1 0 365.543 2.251 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)NCCn2ccc(C(F)(F)F)n2)CC1 ZINC000634847317 677084122 /nfs/dbraw/zinc/08/41/22/677084122.db2.gz FBAWLBIWYNWZNT-UHFFFAOYSA-N 1 0 359.396 2.242 20 30 FEEDRO C=CCSc1ccccc1NC(=O)CN1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639767166 677165539 /nfs/dbraw/zinc/16/55/39/677165539.db2.gz SZICMEKEORJWMH-IBGZPJMESA-N 1 0 363.527 2.292 20 30 FEEDRO C#CC[N@@H+](C)CCCNC(=O)N[C@H](CC)[C@H](O)c1c(F)cccc1F ZINC000838622841 680706498 /nfs/dbraw/zinc/70/64/98/680706498.db2.gz PYGDECBETDCRGF-WBVHZDCISA-N 1 0 353.413 2.031 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)N(CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000838623478 680706746 /nfs/dbraw/zinc/70/67/46/680706746.db2.gz DMQIFUNIZDKODO-UHFFFAOYSA-N 1 0 372.296 2.452 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000656360475 677749349 /nfs/dbraw/zinc/74/93/49/677749349.db2.gz UAIINQKRRIANLM-SJORKVTESA-N 1 0 361.511 2.396 20 30 FEEDRO C#CCN(Cc1cccc(C[NH+]2CCCCC2)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000839516987 680758630 /nfs/dbraw/zinc/75/86/30/680758630.db2.gz PIERYYRISWVIKA-HXUWFJFHSA-N 1 0 360.523 2.295 20 30 FEEDRO C=C(C[NH+](C)C)C(=O)NCCC(=O)Nc1cc(Br)ccc1C ZINC000764474125 680810961 /nfs/dbraw/zinc/81/09/61/680810961.db2.gz GHCXZYQOAARXCA-UHFFFAOYSA-N 1 0 368.275 2.320 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N[C@@H](C)[C@@H](O)c2c(F)cccc2Cl)CC1 ZINC000748001960 679919868 /nfs/dbraw/zinc/91/98/68/679919868.db2.gz UKXILNVYKYNMKL-YVEFUNNKSA-N 1 0 352.837 2.362 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC2CCOCC2)CC1(C)C ZINC000974588218 679960595 /nfs/dbraw/zinc/96/05/95/679960595.db2.gz OQDJEJCKPKHDGF-FGTMMUONSA-N 1 0 350.503 2.221 20 30 FEEDRO C=CCNC(=O)C[N@H+]1CCC[C@H]([C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000832250031 680115972 /nfs/dbraw/zinc/11/59/72/680115972.db2.gz DKJWCKHBIVSDKN-HOTGVXAUSA-N 1 0 351.491 2.258 20 30 FEEDRO CC(C)[N@H+](C)CC1CCN(S(=O)(=O)c2cccc(F)c2C#N)CC1 ZINC000751061093 680151309 /nfs/dbraw/zinc/15/13/09/680151309.db2.gz BOFBGNZRRSCDRW-UHFFFAOYSA-N 1 0 353.463 2.438 20 30 FEEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)c1ccn(-c2ccc(Cl)c(Cl)c2)n1 ZINC000834485021 680233432 /nfs/dbraw/zinc/23/34/32/680233432.db2.gz QXJSTOGIYHEMDJ-OTYXRUKQSA-N 1 0 350.209 2.020 20 30 FEEDRO CCCOc1c(Cl)cc(C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)cc1OCC ZINC000834504554 680236104 /nfs/dbraw/zinc/23/61/04/680236104.db2.gz BZBLVXIBWZLDHP-GXTWGEPZSA-N 1 0 351.834 2.369 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]C[C@H]2CC(C)(C)CO2)C1 ZINC001022834274 680241143 /nfs/dbraw/zinc/24/11/43/680241143.db2.gz LANTYARLFABQNY-WKULXVSPSA-N 1 0 350.503 2.410 20 30 FEEDRO C=C(Cl)C(C)(C)C(=O)N1CC[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000982805260 680288089 /nfs/dbraw/zinc/28/80/89/680288089.db2.gz NYTYTMUEBFVMOE-VHDGCEQUSA-N 1 0 355.910 2.070 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]([NH2+]CCc2ccns2)C(C)(C)C1 ZINC000995835954 680306280 /nfs/dbraw/zinc/30/62/80/680306280.db2.gz YMJKZAXEDQQNAV-IKGGRYGDSA-N 1 0 363.527 2.493 20 30 FEEDRO CCN(CC)S(=O)(=O)c1ccc(N=NC2C[C@H](C)[N@@H+](C3CC3)C2)nc1 ZINC000753954330 680326269 /nfs/dbraw/zinc/32/62/69/680326269.db2.gz CZWMDFUXASADGA-ZDUSSCGKSA-N 1 0 365.503 2.137 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([NH2+]Cc2nnc(CCC)s2)CC1 ZINC000997012018 680345366 /nfs/dbraw/zinc/34/53/66/680345366.db2.gz NGZKARKHHKYMJA-CABCVRRESA-N 1 0 364.515 2.162 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2nnc(C)s2)C1 ZINC001027114239 680355646 /nfs/dbraw/zinc/35/56/46/680355646.db2.gz UFVFSGQIRLBAKH-ZOBUZTSGSA-N 1 0 364.515 2.156 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@H]([N@H+](C)CC2CCOCC2)C1 ZINC001027613454 680361843 /nfs/dbraw/zinc/36/18/43/680361843.db2.gz XVUSFIYXHPHDIX-FHWLQOOXSA-N 1 0 350.503 2.317 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](Cc2cc(OC)ns2)C1 ZINC001028549745 680373901 /nfs/dbraw/zinc/37/39/01/680373901.db2.gz WYAKBEQCEAHQTG-IMJJTQAJSA-N 1 0 365.499 2.071 20 30 FEEDRO C=C(Cl)C[N@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CC[C@@H](C(N)=O)C2)CC1 ZINC000998121282 680376194 /nfs/dbraw/zinc/37/61/94/680376194.db2.gz OVVKYUXMCYSKIB-OWCLPIDISA-N 1 0 355.910 2.344 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)NCC1C[NH+](C[C@H](OC)C2CCCC2)C1 ZINC001031680862 680406244 /nfs/dbraw/zinc/40/62/44/680406244.db2.gz UIBMFQPEOFUCRX-QYZOEREBSA-N 1 0 350.503 2.221 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1C[NH+](C[C@H](OC)C2CCCC2)C1 ZINC001032047777 680412279 /nfs/dbraw/zinc/41/22/79/680412279.db2.gz MLNXQBSJMZPBPG-FHWLQOOXSA-N 1 0 350.503 2.221 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2snnc2C)C1 ZINC001000413421 680430298 /nfs/dbraw/zinc/43/02/98/680430298.db2.gz CRSNVRJPKYJODT-VYDXJSESSA-N 1 0 364.515 2.298 20 30 FEEDRO C[C@@H]1[C@H](C(=O)N[C@@H]2CCCCN(Cc3ccc(C#N)s3)C2)CC[N@@H+]1C ZINC001034213919 680430973 /nfs/dbraw/zinc/43/09/73/680430973.db2.gz DSXRTZWXZSXPBN-IIDMSEBBSA-N 1 0 360.527 2.431 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+][C@H](C)c2csnn2)CC1 ZINC001034740276 680439286 /nfs/dbraw/zinc/43/92/86/680439286.db2.gz HMNAQFNSVGXNIS-PAURTPPISA-N 1 0 350.488 2.207 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC2(CC[N@@H+](C[C@H](C)OC)C2)CC1 ZINC001035185631 680443411 /nfs/dbraw/zinc/44/34/11/680443411.db2.gz FPWUIVGTTHFEKR-KSZLIROESA-N 1 0 350.503 2.317 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC2(CC[N@@H+]([C@@H](C)COC)C2)CC1 ZINC001035236683 680444743 /nfs/dbraw/zinc/44/47/43/680444743.db2.gz BDIYBGLLWJIYFQ-BZSNNMDCSA-N 1 0 350.503 2.317 20 30 FEEDRO C=C(Cl)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001039294566 680462972 /nfs/dbraw/zinc/46/29/72/680462972.db2.gz JRUWVBPEKYGVKV-FVPDABNVSA-N 1 0 353.894 2.142 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC([N@H+](C)C[C@@H]2CCCCO2)CC1 ZINC000985695145 680471321 /nfs/dbraw/zinc/47/13/21/680471321.db2.gz SCLNMPBQGZZZHH-FHWLQOOXSA-N 1 0 350.503 2.460 20 30 FEEDRO C#CC[N@@H+](C)CCCNC(=O)NC[C@H](COC)c1ccc(Cl)cc1 ZINC000836491397 680476934 /nfs/dbraw/zinc/47/69/34/680476934.db2.gz QREZUCKIGOIFAM-MRXNPFEDSA-N 1 0 351.878 2.324 20 30 FEEDRO Clc1cccc(CNN=C2CC[NH+](CCN3CCOCC3)CC2)c1 ZINC000756831892 680500444 /nfs/dbraw/zinc/50/04/44/680500444.db2.gz NCTVWMHFUFLKLX-UHFFFAOYSA-N 1 0 350.894 2.214 20 30 FEEDRO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(c2snc(C)c2C#N)C[C@H]1C ZINC001042603218 680536112 /nfs/dbraw/zinc/53/61/12/680536112.db2.gz CCDDVOHSQPGBNO-WQVCFCJDSA-N 1 0 361.515 2.139 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CC[NH+](C[C@H](OC)C2CCC2)CC1 ZINC001003786807 680542008 /nfs/dbraw/zinc/54/20/08/680542008.db2.gz CCHJIIGTKYQQOC-FHWLQOOXSA-N 1 0 350.503 2.363 20 30 FEEDRO C[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1Nc1nc(Cl)c(C#N)s1 ZINC001043516333 680585397 /nfs/dbraw/zinc/58/53/97/680585397.db2.gz DJNDAXUDWMASNW-QJPTWQEYSA-N 1 0 367.906 2.269 20 30 FEEDRO C[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1Nc1nc(C#N)c(Cl)s1 ZINC001043517055 680585506 /nfs/dbraw/zinc/58/55/06/680585506.db2.gz JRVRLTAJQPDVNH-DMDPSCGWSA-N 1 0 367.906 2.269 20 30 FEEDRO CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](Nc2snc(C)c2C#N)C1 ZINC001043577908 680588869 /nfs/dbraw/zinc/58/88/69/680588869.db2.gz WPBPNXYDCVRXAA-WQVCFCJDSA-N 1 0 361.515 2.456 20 30 FEEDRO Cc1nsc(N[C@@H]2CN(C(=O)CC[C@H]3CCC[N@@H+]3C)C[C@H]2C)c1C#N ZINC001043593279 680590248 /nfs/dbraw/zinc/59/02/48/680590248.db2.gz QADXQHKSBXHCHN-XNRPHZJLSA-N 1 0 361.515 2.456 20 30 FEEDRO C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1Nc1snc(Cl)c1C#N ZINC001043610100 680590935 /nfs/dbraw/zinc/59/09/35/680590935.db2.gz ZHXOSUNJEQPGPC-RAIGVLPGSA-N 1 0 367.906 2.411 20 30 FEEDRO C#CCNC(=S)C(C(=O)c1ccc2c(c1)OCO2)[n+]1ccc(C)cc1 ZINC000759062484 680624252 /nfs/dbraw/zinc/62/42/52/680624252.db2.gz ARXDCZRJNCSETI-UHFFFAOYSA-O 1 0 353.423 2.445 20 30 FEEDRO C#CC[N@H+]1CCC[C@@H]1COC(=O)c1cccc(NS(=O)(=O)CCC)c1 ZINC000759323578 680642449 /nfs/dbraw/zinc/64/24/49/680642449.db2.gz GLQCZZYDNJUVJA-QGZVFWFLSA-N 1 0 364.467 2.093 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@]1(C)CC[N@H+](CCn2cc(Cl)cn2)C1 ZINC001046328395 680646347 /nfs/dbraw/zinc/64/63/47/680646347.db2.gz ZXIRPIHFRVEKEJ-RYRKJORJSA-N 1 0 366.893 2.098 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H](C2CC[NH+](CCOC)CC2)C1 ZINC001047260208 680659295 /nfs/dbraw/zinc/65/92/95/680659295.db2.gz YGGGVQSJOYJIHU-QRVBRYPASA-N 1 0 350.503 2.175 20 30 FEEDRO CS[C@H]1CN(C(=O)Nc2ccc(F)cc2OCC#N)C[C@H]1[NH+](C)C ZINC000759992663 680674051 /nfs/dbraw/zinc/67/40/51/680674051.db2.gz IVLITRLFQYSHKH-HIFRSBDPSA-N 1 0 352.435 2.237 20 30 FEEDRO CCOc1cc(Br)ccc1NC(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000841149243 680865972 /nfs/dbraw/zinc/86/59/72/680865972.db2.gz DVOHJTBNTHCGKC-SKDRFNHKSA-N 1 0 353.220 2.081 20 30 FEEDRO C=CCOc1ccc(Br)cc1NC(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000841259075 680871913 /nfs/dbraw/zinc/87/19/13/680871913.db2.gz MVBDQHYNTSLEAI-GXFFZTMASA-N 1 0 365.231 2.247 20 30 FEEDRO CC(C)(C)[NH+]=C(NCCCN1CCOCC1)NCc1ccc(F)cc1 ZINC000912499251 685386726 /nfs/dbraw/zinc/38/67/26/685386726.db2.gz OGJNETPQXSTHEJ-UHFFFAOYSA-N 1 0 350.482 2.382 20 30 FEEDRO C#CCNC(=O)C1CC[NH+](Cc2ccc(OC)c(OC(F)F)c2)CC1 ZINC000769020143 680968076 /nfs/dbraw/zinc/96/80/76/680968076.db2.gz FAEQMPZPDIMIPO-UHFFFAOYSA-N 1 0 352.381 2.258 20 30 FEEDRO CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCN(c2snc(C)c2C#N)[C@@H]1C ZINC001050357725 681046513 /nfs/dbraw/zinc/04/65/13/681046513.db2.gz AXXRFMIKNVRNSF-VNQPRFMTSA-N 1 0 361.515 2.281 20 30 FEEDRO C[C@@H]1CCO[C@@H]1C(=O)N1CC2(C1)CC[NH+](Cc1ccc(C#N)s1)CC2 ZINC001050669125 681053245 /nfs/dbraw/zinc/05/32/45/681053245.db2.gz RMBHDQDYFYBGGD-PBHICJAKSA-N 1 0 359.495 2.469 20 30 FEEDRO COCCN(C(=O)OC(C)(C)C)C1CC[NH+](CCO[C@H](C)C#N)CC1 ZINC000844356852 681053677 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2.111 20 30 FEEDRO C[C@@H]1[C@H](C(=O)N2CC[C@H](Nc3snc(Cl)c3C#N)C2)CC[N@@H+]1C ZINC001059095379 681178772 /nfs/dbraw/zinc/17/87/72/681178772.db2.gz JKUHKHOUAWYCGV-OUAUKWLOSA-N 1 0 353.879 2.021 20 30 FEEDRO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](Nc3nc(Cl)c(C#N)s3)C2)CC[N@@H+]1C ZINC001059444333 681180708 /nfs/dbraw/zinc/18/07/08/681180708.db2.gz UDOPODPYWNFLJO-FIQHERPVSA-N 1 0 367.906 2.458 20 30 FEEDRO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H](Nc3snc(Cl)c3C#N)C2)CC[N@@H+]1C ZINC001059853809 681186453 /nfs/dbraw/zinc/18/64/53/681186453.db2.gz JNVPQJNJJAMEHI-CHWFTXMASA-N 1 0 353.879 2.067 20 30 FEEDRO C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)[C@]34C[C@H]3COC4)CC[C@@H]2C1 ZINC000946599714 681245889 /nfs/dbraw/zinc/24/58/89/681245889.db2.gz QJLPHGNIPDPJSS-IVSAIRAKSA-N 1 0 369.303 2.102 20 30 FEEDRO N#CC[C@H](NC(=O)NCC1CC[NH+](C2CCOCC2)CC1)C(F)(F)F ZINC000932895638 681324486 /nfs/dbraw/zinc/32/44/86/681324486.db2.gz BTMORFBNVFXWDW-AWEZNQCLSA-N 1 0 362.396 2.021 20 30 FEEDRO CN1CC[C@H]([NH+]2C[C@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)C1=O ZINC000932944531 681332400 /nfs/dbraw/zinc/33/24/00/681332400.db2.gz WSGSYMHIIBGIFL-FXQIFTODSA-N 1 0 366.252 2.320 20 30 FEEDRO CON(C)C(=O)[C@H](CCSC)[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000776172162 681369625 /nfs/dbraw/zinc/36/96/25/681369625.db2.gz XRSJUGGKGZFBGC-BBRMVZONSA-N 1 0 351.472 2.381 20 30 FEEDRO C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C ZINC000847491024 681385669 /nfs/dbraw/zinc/38/56/69/681385669.db2.gz FXNJKEWZELIUOP-LSDHHAIUSA-N 1 0 352.479 2.174 20 30 FEEDRO O=S1(=O)CCC(NN=C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000776792825 681436340 /nfs/dbraw/zinc/43/63/40/681436340.db2.gz RHVGEDOBYZVNNE-KDURUIRLSA-N 1 0 361.511 2.336 20 30 FEEDRO C[N@H+](Cc1cc(C#N)cs1)C[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 ZINC000933771814 681466486 /nfs/dbraw/zinc/46/64/86/681466486.db2.gz UPKRYFTWDNCVOR-KRWDZBQOSA-N 1 0 351.472 2.423 20 30 FEEDRO C=C(C)[C@H](CO)[N@@H+]1C[C@H](C)OC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000933860865 681475606 /nfs/dbraw/zinc/47/56/06/681475606.db2.gz MXLAWLOSWKPSKM-HOTGVXAUSA-N 1 0 354.491 2.414 20 30 FEEDRO C[C@@H]([NH2+][C@@H]1CCOC12CCOCC2)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000934402825 681565505 /nfs/dbraw/zinc/56/55/05/681565505.db2.gz CRCZUHQBWQPQMY-MLGOLLRUSA-N 1 0 363.845 2.466 20 30 FEEDRO N#Cc1ccc(NC(=O)CC[NH2+][C@@H]2CCOC23CCOCC3)cc1Cl ZINC000934406479 681566282 /nfs/dbraw/zinc/56/62/82/681566282.db2.gz RFOQCUCQPRRKPK-MRXNPFEDSA-N 1 0 363.845 2.468 20 30 FEEDRO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCC(CN=[S@@](C)(=O)N(C)C)CC1 ZINC000934750018 681620614 /nfs/dbraw/zinc/62/06/14/681620614.db2.gz KVVRNNSPUFPHDE-PUAOIOHZSA-N 1 0 372.579 2.086 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC2(CC1)C[N@H+](CC[C@H](C)F)CCO2 ZINC000949476672 681642498 /nfs/dbraw/zinc/64/24/98/681642498.db2.gz BLAFNGQLEJBJQU-BBWFWOEESA-N 1 0 354.466 2.019 20 30 FEEDRO CN(C)C(NCc1ccccc1)=[NH+]CCn1cc(Br)cn1 ZINC000849051068 681648027 /nfs/dbraw/zinc/64/80/27/681648027.db2.gz VCRSJLSSHOBYJK-UHFFFAOYSA-N 1 0 350.264 2.353 20 30 FEEDRO C[NH+]=C(NC[C@H](CO)Cc1ccc(F)c(Br)c1)NC1CC1 ZINC000849109887 681654942 /nfs/dbraw/zinc/65/49/42/681654942.db2.gz KOULWUVZLSGLEP-LLVKDONJSA-N 1 0 358.255 2.067 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)c2cc(Br)c(C)[nH]c2=O)CC1 ZINC000778911147 681662290 /nfs/dbraw/zinc/66/22/90/681662290.db2.gz LYSJOTJFCWMROW-UHFFFAOYSA-N 1 0 366.259 2.076 20 30 FEEDRO C=CCSCCNC(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849510939 681755576 /nfs/dbraw/zinc/75/55/76/681755576.db2.gz MUKKFHKFBOOYSV-IAGOWNOFSA-N 1 0 350.532 2.269 20 30 FEEDRO Cc1nc(COc2ccc(F)cc2)sc1C(=O)NCC#CC[NH+](C)C ZINC000913516150 685479252 /nfs/dbraw/zinc/47/92/52/685479252.db2.gz DAHSXRGKWRLRBZ-UHFFFAOYSA-N 1 0 361.442 2.464 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(CC)C1C[NH+](CC[C@@H]2CCCCO2)C1 ZINC000953830883 681800810 /nfs/dbraw/zinc/80/08/10/681800810.db2.gz LNPLPLSVJLQDCZ-FHWLQOOXSA-N 1 0 350.503 2.460 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)N1CCC[C@H]2[C@@H]1CCN2C(=O)OC(C)(C)C ZINC000913777652 685484974 /nfs/dbraw/zinc/48/49/74/685484974.db2.gz LQFMNOFLEZVKHZ-HOTGVXAUSA-N 1 0 351.491 2.495 20 30 FEEDRO O=C(NCC[NH2+]Cc1cccc(F)c1OC(F)F)C1N=CC=CC1=O ZINC000850137586 681857742 /nfs/dbraw/zinc/85/77/42/681857742.db2.gz SMXSDCOUEVSJMW-FYWRMAATSA-N 1 0 355.316 2.043 20 30 FEEDRO N#Cc1ccc(CN2CCC([NH2+]CC[S@@](=O)CC(F)(F)F)CC2)cc1 ZINC000850350508 681889835 /nfs/dbraw/zinc/88/98/35/681889835.db2.gz SFGFNTNMMQAUFX-RUZDIDTESA-N 1 0 373.444 2.423 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)NCc2ccc(F)cc2Br)CC1 ZINC000914331961 685504239 /nfs/dbraw/zinc/50/42/39/685504239.db2.gz IWAJPSHPMKGNRX-UHFFFAOYSA-N 1 0 368.250 2.485 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]Cc1cc(OC)ns1 ZINC000960136332 682029307 /nfs/dbraw/zinc/02/93/07/682029307.db2.gz SWNBHHXYDKEWCQ-IMJJTQAJSA-N 1 0 365.499 2.214 20 30 FEEDRO CCOP(=O)(OCC)[C@@H](O)C[N@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000852210696 682239960 /nfs/dbraw/zinc/23/99/60/682239960.db2.gz JVTWVGUAWTXSMH-HZPDHXFCSA-N 1 0 356.359 2.108 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H](C)C1C[NH+](CCOC2CCC2)C1 ZINC000970560683 682306914 /nfs/dbraw/zinc/30/69/14/682306914.db2.gz OWMRHQBZTGPVOW-MNEFBYGVSA-N 1 0 350.503 2.363 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H](C)C1C[NH+](CCc2scnc2C)C1 ZINC000970572514 682308021 /nfs/dbraw/zinc/30/80/21/682308021.db2.gz VPKBFOYDAOLSBH-SKDZVZGDSA-N 1 0 363.527 2.412 20 30 FEEDRO CC1([NH+]2CCCC2)CCN(S(=O)(=O)Cc2csc(C#N)c2)CC1 ZINC000918756633 685541997 /nfs/dbraw/zinc/54/19/97/685541997.db2.gz NBLKMBGZKWRRGB-UHFFFAOYSA-N 1 0 353.513 2.400 20 30 FEEDRO C[NH+]1CCC2(CCN(S(=O)(=O)Cc3csc(C#N)c3)CC2)CC1 ZINC000918785742 685542249 /nfs/dbraw/zinc/54/22/49/685542249.db2.gz YHJZBZGODQWKGZ-UHFFFAOYSA-N 1 0 353.513 2.257 20 30 FEEDRO COc1cc(Br)c(NC(=O)C#CC2CC[NH2+]CC2)cc1OC ZINC000852820044 682346945 /nfs/dbraw/zinc/34/69/45/682346945.db2.gz PFNSCQGUVBZHTF-UHFFFAOYSA-N 1 0 367.243 2.408 20 30 FEEDRO C[NH+](C)CCc1ccc(CNS(=O)(=O)c2cccc(F)c2C#N)cc1 ZINC000786125915 682352107 /nfs/dbraw/zinc/35/21/07/682352107.db2.gz LNHLLVLYDRZMFM-UHFFFAOYSA-N 1 0 361.442 2.280 20 30 FEEDRO C=C(Cl)CN(C)[C@H]1CCN(C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC000971551792 682358837 /nfs/dbraw/zinc/35/88/37/682358837.db2.gz LYVDXLGCFAUWDH-KSZLIROESA-N 1 0 369.937 2.019 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H]([N@H+](C)CCn2cc(Cl)cn2)C1 ZINC000972520533 682419059 /nfs/dbraw/zinc/41/90/59/682419059.db2.gz CIVIQTJMHBJHPO-ULQDDVLXSA-N 1 0 366.893 2.050 20 30 FEEDRO C#CCN(CC(=O)OC(C)(C)C)C(=O)NCC1CC[NH+](CCC)CC1 ZINC000853590242 682439363 /nfs/dbraw/zinc/43/93/63/682439363.db2.gz UHOMHFSSMZDELI-UHFFFAOYSA-N 1 0 351.491 2.095 20 30 FEEDRO C#CCN(CC(=O)OC(C)(C)C)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000853750267 682463823 /nfs/dbraw/zinc/46/38/23/682463823.db2.gz NLGITJBIFMCIBK-OAHLLOKOSA-N 1 0 353.507 2.339 20 30 FEEDRO N#Cc1ncc(Br)cc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC000787897740 682488551 /nfs/dbraw/zinc/48/85/51/682488551.db2.gz RSCMIYWLZNLLFW-UHFFFAOYSA-N 1 0 365.275 2.264 20 30 FEEDRO CC(C)(C#N)CS(=O)(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000790020917 682647973 /nfs/dbraw/zinc/64/79/73/682647973.db2.gz PEEYXVHXGKABNF-UHFFFAOYSA-N 1 0 359.561 2.207 20 30 FEEDRO C=CCn1nnn(CN2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)c1=S ZINC000794667897 682988518 /nfs/dbraw/zinc/98/85/18/682988518.db2.gz QZTYRZROMVJJJY-CALCHBBNSA-N 1 0 356.499 2.016 20 30 FEEDRO CCN(CC)c1ccc(/C=[NH+]/C[C@H]2CCCCN2S(C)(=O)=O)c(O)c1 ZINC000794676331 682989371 /nfs/dbraw/zinc/98/93/71/682989371.db2.gz MTFWERSWBCWESI-HNMKQIAWSA-N 1 0 367.515 2.471 20 30 FEEDRO C#CC[C@@H](COC)NC(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000859032483 683028840 /nfs/dbraw/zinc/02/88/40/683028840.db2.gz TUMYXRURRMLPNJ-INIZCTEOSA-N 1 0 353.532 2.076 20 30 FEEDRO C=C[C@](C)(CCOC)C(=O)N[C@@H]1C[C@]2(C[N@@H+](CC)[C@@H]2C(C)C)C[C@H]1O ZINC000926245389 683097166 /nfs/dbraw/zinc/09/71/66/683097166.db2.gz ULWSQGZZCPOFQM-UNNPPQAFSA-N 1 0 352.519 2.201 20 30 FEEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)Nc1cc(Cl)c(Br)cc1F ZINC000859706278 683146417 /nfs/dbraw/zinc/14/64/17/683146417.db2.gz OWKOKKDFWCJUCD-KSBSHMNSSA-N 1 0 361.602 2.475 20 30 FEEDRO CN(C)Cc1cnc(C[NH2+]C2CCN(c3ccc(C#N)cn3)CC2)s1 ZINC000796280867 683148143 /nfs/dbraw/zinc/14/81/43/683148143.db2.gz SSWGJUNGOLGQJF-UHFFFAOYSA-N 1 0 356.499 2.230 20 30 FEEDRO C#CC[N@H+]1CCC[C@H]1COC(=O)[C@@H]1N(C(=O)OC(C)(C)C)CC1(C)C ZINC000796690684 683186170 /nfs/dbraw/zinc/18/61/70/683186170.db2.gz VKXCGKPGAJKWMS-GJZGRUSLSA-N 1 0 350.459 2.273 20 30 FEEDRO C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](CC)C2)C1=O ZINC000799145858 683427635 /nfs/dbraw/zinc/42/76/35/683427635.db2.gz OLBQOWZWWPNBLX-XHSDSOJGSA-N 1 0 351.491 2.399 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)Cc2csc(-n3c(C)ccc3C)n2)CC1 ZINC000928657367 683482879 /nfs/dbraw/zinc/48/28/79/683482879.db2.gz YRKHWDXEJCPKJY-UHFFFAOYSA-N 1 0 356.495 2.307 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)CCCNC(=O)c2ccc(Cl)cc2)CC1 ZINC000928660949 683483497 /nfs/dbraw/zinc/48/34/97/683483497.db2.gz KIATWJDUVPMVJE-UHFFFAOYSA-N 1 0 361.873 2.064 20 30 FEEDRO C#CCN(C(=O)C(=O)N[C@@H](C)c1cc(C)sc1C)C1CC[NH+](C)CC1 ZINC000929413952 683591937 /nfs/dbraw/zinc/59/19/37/683591937.db2.gz AMWBJHILJBCMJL-AWEZNQCLSA-N 1 0 361.511 2.098 20 30 FEEDRO C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccccc1-c1ccno1 ZINC000922023921 683639287 /nfs/dbraw/zinc/63/92/87/683639287.db2.gz MTRBOZYXJAINFI-UHFFFAOYSA-N 1 0 359.451 2.060 20 30 FEEDRO C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1c(Cl)ccnc1Cl ZINC000922024246 683639912 /nfs/dbraw/zinc/63/99/12/683639912.db2.gz NXMDNIUMUILBJM-UHFFFAOYSA-N 1 0 362.282 2.107 20 30 FEEDRO CC(C)NC(=O)c1cnn2c1C[C@H](C[NH2+]Cc1csc(C#N)c1)CC2 ZINC000922043777 683645694 /nfs/dbraw/zinc/64/56/94/683645694.db2.gz RPIVVLCHIQKWAF-CYBMUJFWSA-N 1 0 357.483 2.307 20 30 FEEDRO C#Cc1ccc(NC(=O)CC[N@@H+](CCCC)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000929971244 683662972 /nfs/dbraw/zinc/66/29/72/683662972.db2.gz OCRKQCABTGSVNE-GOSISDBHSA-N 1 0 362.495 2.286 20 30 FEEDRO C=CCCCNC(=O)NCC[NH+]1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000922250249 683687517 /nfs/dbraw/zinc/68/75/17/683687517.db2.gz HODUQWJVQCCYNC-UHFFFAOYSA-N 1 0 354.495 2.241 20 30 FEEDRO C#CCOc1ccc(Br)cc1C[NH2+]CC[C@H]1CC(=O)N(C)C1 ZINC000922486132 683732621 /nfs/dbraw/zinc/73/26/21/683732621.db2.gz OSJYHZGBXONWNU-ZDUSSCGKSA-N 1 0 365.271 2.419 20 30 FEEDRO C#CCN(C(=O)N[C@H](C)[C@@H]1OCCc2sccc21)C1CC[NH+](C)CC1 ZINC000922596534 683751511 /nfs/dbraw/zinc/75/15/11/683751511.db2.gz KGQNRZYRFSSCEN-KDOFPFPSSA-N 1 0 361.511 2.489 20 30 FEEDRO COc1cc(NC(=O)NCC#CC[NH+](C)C)cc(OC)c1Br ZINC000930710335 683774221 /nfs/dbraw/zinc/77/42/21/683774221.db2.gz AGZFIBKOPLWGMJ-UHFFFAOYSA-N 1 0 370.247 2.153 20 30 FEEDRO C[N@@H+](Cc1ccc(Br)nc1N)C[C@@H](O)c1cccc(C#N)c1 ZINC000930845374 683792074 /nfs/dbraw/zinc/79/20/74/683792074.db2.gz OXBPEDSUCLHDTO-CQSZACIVSA-N 1 0 361.243 2.463 20 30 FEEDRO C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CC[N@@H+](CC)C1 ZINC000864961548 683914604 /nfs/dbraw/zinc/91/46/04/683914604.db2.gz BQPCBTGMWHFKDK-KGLIPLIRSA-N 1 0 359.898 2.480 20 30 FEEDRO CS(=O)(=O)[C@@H]1CCCC[C@@H]1[NH2+]C1CCN(c2ccccc2C#N)CC1 ZINC000866449317 684106125 /nfs/dbraw/zinc/10/61/25/684106125.db2.gz UGNDAUJSGJEJFK-PKOBYXMFSA-N 1 0 361.511 2.472 20 30 FEEDRO COC(=O)[C@H](c1ccc(C#N)cc1)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000866668752 684131911 /nfs/dbraw/zinc/13/19/11/684131911.db2.gz KDBBPCPEDWTYGL-KFWWJZLASA-N 1 0 355.360 2.231 20 30 FEEDRO N#Cc1cc(F)cc(S(=O)(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000866766338 684148254 /nfs/dbraw/zinc/14/82/54/684148254.db2.gz OUXCYHHAVXUUNG-LSDHHAIUSA-N 1 0 351.447 2.098 20 30 FEEDRO Cn1[nH]c(=O)c2c1C[N@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)CC2 ZINC000931196627 684239276 /nfs/dbraw/zinc/23/92/76/684239276.db2.gz KIXQQNMLTCZXSA-UHFFFAOYSA-N 1 0 359.817 2.038 20 30 FEEDRO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931441095 684283559 /nfs/dbraw/zinc/28/35/59/684283559.db2.gz NQWZDTNSOGCKGY-MELADBBJSA-N 1 0 358.511 2.319 20 30 FEEDRO N#Cc1ccc(CN2CC[NH+](CCCCCO)CC2)c(OC(F)F)c1 ZINC000931497639 684292505 /nfs/dbraw/zinc/29/25/05/684292505.db2.gz PSDALDOYKSLHIG-UHFFFAOYSA-N 1 0 353.413 2.440 20 30 FEEDRO N#Cc1cc(F)cc(S(=O)(=O)NC[C@@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC000867539332 684308854 /nfs/dbraw/zinc/30/88/54/684308854.db2.gz CWPJFLFIGHACNG-AWEZNQCLSA-N 1 0 351.447 2.098 20 30 FEEDRO C=C(Cl)C[C@H](NS(=O)(=O)c1ccc(C[NH+](C)C)cc1)C(=O)OCC ZINC000867592328 684324431 /nfs/dbraw/zinc/32/44/31/684324431.db2.gz YTZZYLCRFDQRNM-HNNXBMFYSA-N 1 0 374.890 2.101 20 30 FEEDRO C[NH+]1CCC(OCC(=O)OCc2cc(Cl)ccc2OCC#N)CC1 ZINC000923788884 684350449 /nfs/dbraw/zinc/35/04/49/684350449.db2.gz HKTNBVFMDIYUIT-UHFFFAOYSA-N 1 0 352.818 2.396 20 30 FEEDRO CC[C@H](CN1CCOCC1)NC(=O)NCc1ccc(SC)c(C#N)c1 ZINC000924043381 684394299 /nfs/dbraw/zinc/39/42/99/684394299.db2.gz YVXVVSUTWFRPBE-MRXNPFEDSA-N 1 0 362.499 2.190 20 30 FEEDRO CC(C)Oc1cc(NC(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)ccc1Br ZINC000868191924 684462979 /nfs/dbraw/zinc/46/29/79/684462979.db2.gz YNLHKLBMBARINH-GXFFZTMASA-N 1 0 367.247 2.469 20 30 FEEDRO C=CCCC[C@@H]1NC(=O)N([C@H]2CC[N@@H+](CCCOCC)C[C@@H]2C)C1=O ZINC000924630981 684476023 /nfs/dbraw/zinc/47/60/23/684476023.db2.gz CKWYCEVTEOGDMW-ULQDDVLXSA-N 1 0 351.491 2.400 20 30 FEEDRO C=C(Cl)C[C@H]1NC(=O)N(Cc2ccc(N3CC[NH+](C)CC3)cc2)C1=O ZINC000925079724 684522934 /nfs/dbraw/zinc/52/29/34/684522934.db2.gz NFXCQFYRKJTCCP-MRXNPFEDSA-N 1 0 362.861 2.001 20 30 FEEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]CC[C@@H]2CNCCS2(=O)=O)cc1 ZINC000925798331 684587430 /nfs/dbraw/zinc/58/74/30/684587430.db2.gz PWBCLAPFBLLYEY-WMLDXEAASA-N 1 0 372.918 2.245 20 30 FEEDRO C#C[C@H]1CC[C@H](NC(=O)[C@@H](CC[NH+](C)C)NC(=O)OC(C)(C)C)CC1 ZINC000874859332 685683975 /nfs/dbraw/zinc/68/39/75/685683975.db2.gz MHGKFMPPTNPFKQ-BZUAXINKSA-N 1 0 351.491 2.140 20 30 FEEDRO C#CC[C@H](CCOC)NC(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000875914090 686103013 /nfs/dbraw/zinc/10/30/13/686103013.db2.gz KDCDGIJQFYTQRQ-CQSZACIVSA-N 1 0 363.424 2.473 20 30 FEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000876620636 686229700 /nfs/dbraw/zinc/22/97/00/686229700.db2.gz NYWJYPTUFLRXDT-DGCLKSJQSA-N 1 0 366.767 2.031 20 30 FEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)NC1CCN(c2ccc(N(C)C)cc2)CC1 ZINC000876784409 686268381 /nfs/dbraw/zinc/26/83/81/686268381.db2.gz DSOLETWFMNCULM-QGZVFWFLSA-N 1 0 350.894 2.308 20 30 FEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000876893615 686289229 /nfs/dbraw/zinc/28/92/29/686289229.db2.gz GQIOSKSKDIFUAE-OLZOCXBDSA-N 1 0 360.216 2.171 20 30 FEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC[C@@H]1c1nc(C(=O)OCC)cs1 ZINC000876909867 686293959 /nfs/dbraw/zinc/29/39/59/686293959.db2.gz KYIMYWJAALJWNN-ZYHUDNBSSA-N 1 0 357.863 2.453 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[C@@H](c2ncc(C(=O)OC)s2)C1 ZINC000876979726 686304268 /nfs/dbraw/zinc/30/42/68/686304268.db2.gz PTNVBIPJATYGME-MNOVXSKESA-N 1 0 357.863 2.106 20 30 FEEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]CCS(=O)(=O)Cc1ccccc1 ZINC000876986473 686305611 /nfs/dbraw/zinc/30/56/11/686305611.db2.gz DSNUCTGPOSQRMN-INIZCTEOSA-N 1 0 350.484 2.290 20 30 FEEDRO C#CCCCCCC[NH2+][C@H](C)C(=O)Nc1cccc(S(=O)(=O)NC)c1 ZINC000877009255 686309028 /nfs/dbraw/zinc/30/90/28/686309028.db2.gz KKQSDNCVTBVKPZ-OAHLLOKOSA-N 1 0 365.499 2.095 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H]1COc2cccc(Br)c2C1 ZINC000877259663 686344156 /nfs/dbraw/zinc/34/41/56/686344156.db2.gz WCUBTELWEROZMD-SKDRFNHKSA-N 1 0 359.651 2.339 20 30 FEEDRO C=CCC[C@H](O)C[N@H+]1C[C@H](C)O[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000880221782 687019046 /nfs/dbraw/zinc/01/90/46/687019046.db2.gz RMLOROALPZYAFR-TXPKVOOTSA-N 1 0 354.491 2.414 20 30 FEEDRO C[NH+]1CCC2(CC1)CN(c1ncc(C#N)cc1Br)CCO2 ZINC000882517944 687384190 /nfs/dbraw/zinc/38/41/90/687384190.db2.gz GBSPHEDDLUHDSH-UHFFFAOYSA-N 1 0 351.248 2.017 20 30 FEEDRO Cc1cc(S(=O)(=O)N2CCN(c3cc[nH+]cc3)[C@H](C)C2)ccc1C#N ZINC000882620400 687411920 /nfs/dbraw/zinc/41/19/20/687411920.db2.gz IPFFELIUMUQFRL-OAHLLOKOSA-N 1 0 356.451 2.161 20 30 FEEDRO C=CCC[C@H](COc1ccccc1)[NH2+]C1CCN(S(C)(=O)=O)CC1 ZINC000883170310 687581560 /nfs/dbraw/zinc/58/15/60/687581560.db2.gz QHTPPYACGCJORD-QGZVFWFLSA-N 1 0 352.500 2.414 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N2CCn3cnc(C(F)(F)F)c3C2)CC1 ZINC000883343180 687610627 /nfs/dbraw/zinc/61/06/27/687610627.db2.gz CELJGAOHTPCZKO-UHFFFAOYSA-N 1 0 357.380 2.078 20 30 FEEDRO N#C[C@H]1C[NH2+]CC12CC(C(=O)N(Cc1cccs1)C[C@@H]1CCCO1)C2 ZINC000884377631 687859011 /nfs/dbraw/zinc/85/90/11/687859011.db2.gz QEHISTAHHKZSCO-IOSXPMGOSA-N 1 0 359.495 2.395 20 30 FEEDRO C[NH+]1CCC([C@@H]2CCN(S(=O)(=O)c3ccc(CCC#N)cc3)C2)CC1 ZINC000885077150 688011601 /nfs/dbraw/zinc/01/16/01/688011601.db2.gz NPBNTPTWQSQIFF-GOSISDBHSA-N 1 0 361.511 2.495 20 30 FEEDRO Cc1cccc(S(=O)(=O)N2CCN(c3cc[nH+]cc3)C[C@H]2C)c1C#N ZINC000885847089 688167751 /nfs/dbraw/zinc/16/77/51/688167751.db2.gz CUMIYOCYXXFJOR-OAHLLOKOSA-N 1 0 356.451 2.161 20 30 FEEDRO C#CCN(C(=O)c1cnn(-c2ccc(Cl)cc2)n1)C1CC[NH+](C)CC1 ZINC000886579684 688279410 /nfs/dbraw/zinc/27/94/10/688279410.db2.gz DZNMUYFNWVACDS-UHFFFAOYSA-N 1 0 357.845 2.090 20 30 FEEDRO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](Cc2nc(C)cs2)C1 ZINC000886696348 688291651 /nfs/dbraw/zinc/29/16/51/688291651.db2.gz MPMPDOKHZBLOIK-KGLIPLIRSA-N 1 0 350.488 2.106 20 30 FEEDRO C#CCC1([NH2+]CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CCOCC1 ZINC000887123346 688369950 /nfs/dbraw/zinc/36/99/50/688369950.db2.gz KMRDFRARZXNUNW-UHFFFAOYSA-N 1 0 351.790 2.349 20 30 FEEDRO CN(Cc1cc(C#N)cs1)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000893009138 689280804 /nfs/dbraw/zinc/28/08/04/689280804.db2.gz BPFBYMHSHJJTOK-INIZCTEOSA-N 1 0 362.499 2.405 20 30 FEEDRO CN(Cc1cc(C#N)cs1)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000893742653 689397470 /nfs/dbraw/zinc/39/74/70/689397470.db2.gz LLPRZOATVUTETE-DLBZAZTESA-N 1 0 362.499 2.139 20 30 FEEDRO C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@H]1CCCN(O)C1=O ZINC000895162490 689669880 /nfs/dbraw/zinc/66/98/80/689669880.db2.gz LYXFFLZRQPTING-GWCFXTLKSA-N 1 0 359.348 2.392 20 30 FEEDRO N#Cc1cccc(Br)c1N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000897220109 689990090 /nfs/dbraw/zinc/99/00/90/689990090.db2.gz SNYHYWVVYBKBBJ-CABCVRRESA-N 1 0 350.260 2.356 20 30 FEEDRO CC[NH+]1CCC(NC(=O)CON=Cc2ccccc2OC(F)F)CC1 ZINC000902130166 690739044 /nfs/dbraw/zinc/73/90/44/690739044.db2.gz DHDUNGARQIZFIO-UHFFFAOYSA-N 1 0 355.385 2.239 20 30 FEEDRO C[C@H]([NH2+]C[C@H]1CCCC[C@H]1NS(C)(=O)=O)c1ccc(C#N)c(F)c1 ZINC000903235898 690873934 /nfs/dbraw/zinc/87/39/34/690873934.db2.gz XHQNWCMOELXXNB-XGWLTEMNSA-N 1 0 353.463 2.456 20 30 FEEDRO C=CCC[C@@H]([NH2+][C@@H]1CCS(=O)(=O)C2(CC(C(=O)OC)C2)C1)C1CC1 ZINC000903451632 690895301 /nfs/dbraw/zinc/89/53/01/690895301.db2.gz HXSQMPZBKVLOML-GARNVTTQSA-N 1 0 355.500 2.220 20 30 FEEDRO C[C@H]([NH3+])[C@H]1CCCCN1S(=O)(=O)c1ccc(Br)c(C#N)c1 ZINC000903484372 690898503 /nfs/dbraw/zinc/89/85/03/690898503.db2.gz ZHJNPRUWIPANBP-IINYFYTJSA-N 1 0 372.288 2.211 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2CCC[C@]23CC[NH2+]C3)cc1C(F)(F)F ZINC000903592573 690934757 /nfs/dbraw/zinc/93/47/57/690934757.db2.gz FZWKWZZUNNHBNJ-CQSZACIVSA-N 1 0 359.373 2.094 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@H]2CCCc3ccccc3C2)nc1 ZINC000905656758 691157567 /nfs/dbraw/zinc/15/75/67/691157567.db2.gz ZXWLLDURWBKEJA-SFHVURJKSA-N 1 0 355.463 2.264 20 30 FEEDRO C=CCC1(C(=O)N2CC[C@@H](C[NH+](C)C)C2)CN(C(=O)OC(C)(C)C)C1 ZINC000906692133 691302803 /nfs/dbraw/zinc/30/28/03/691302803.db2.gz IVPGJQNGMVGTQT-HNNXBMFYSA-N 1 0 351.491 2.210 20 30 FEEDRO CC1CC[NH+](C2CCC(NS(=O)(=O)c3ccc(C#N)cn3)CC2)CC1 ZINC000907064142 691384818 /nfs/dbraw/zinc/38/48/18/691384818.db2.gz AHODDHBRCFMVRL-UHFFFAOYSA-N 1 0 362.499 2.275 20 30 FEEDRO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)S(=O)(=O)CCCC#N)C2)s1 ZINC000907347925 691458839 /nfs/dbraw/zinc/45/88/39/691458839.db2.gz XQIDMPOTYJQGDG-HNNXBMFYSA-N 1 0 355.529 2.444 20 30 FEEDRO CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccsc1C#N ZINC000907554779 691518235 /nfs/dbraw/zinc/51/82/35/691518235.db2.gz QUNLHDXOEVZZTL-IBGZPJMESA-N 1 0 355.463 2.329 20 30 FEEDRO N#Cc1c(Cl)nc(C(F)(F)N2CC[C@H]3C[C@@]3([NH3+])C2)nc1C(F)(F)F ZINC001164421710 718896956 /nfs/dbraw/zinc/89/69/56/718896956.db2.gz RUPZZUSOKJKPOJ-UPONEAKYSA-N 1 0 367.709 2.493 20 30 FEEDRO CSc1nc(-c2ccccc2)nc(N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)c1C#N ZINC001164671514 719408380 /nfs/dbraw/zinc/40/83/80/719408380.db2.gz PWRWXVSCUFWGOS-CVEARBPZSA-N 1 0 367.478 2.256 20 30 FEEDRO C[NH+](C)C[C@H]1Cn2ccnc2CN(c2nc(-c3ccncc3)ccc2C#N)C1 ZINC001164735439 720522642 /nfs/dbraw/zinc/52/26/42/720522642.db2.gz XMGNUEKPXKNBLU-INIZCTEOSA-N 1 0 373.464 2.410 20 30 FEEDRO Cc1cc(Cl)nc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)c1C#N ZINC001164744946 720620545 /nfs/dbraw/zinc/62/05/45/720620545.db2.gz SJZPNIRRPQRLCP-KGLIPLIRSA-N 1 0 370.844 2.047 20 30 FEEDRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4nc(Cl)c(F)cc4C#N)C[C@@H]3C2)cn1 ZINC001164771670 721074462 /nfs/dbraw/zinc/07/44/62/721074462.db2.gz SSDBGVLUXBXRFE-ZFWWWQNUSA-N 1 0 374.851 2.438 20 30 FEEDRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4cc(Cl)cc(C#N)n4)C[C@@H]3C2)cn1 ZINC001164764864 721112579 /nfs/dbraw/zinc/11/25/79/721112579.db2.gz IGPDLYWSYDTBSU-GJZGRUSLSA-N 1 0 356.861 2.298 20 30 FEEDRO C=CCOc1cc(C)nc(N2C[C@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)n1 ZINC001164769909 721138263 /nfs/dbraw/zinc/13/82/63/721138263.db2.gz PZLTUMGWYZNNGK-QZTJIDSGSA-N 1 0 368.485 2.042 20 30 FEEDRO Cc1ccc(CC#N)c(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164877640 721157104 /nfs/dbraw/zinc/15/71/04/721157104.db2.gz PKRQYJKBGIVVNL-WOJBJXKFSA-N 1 0 363.465 2.331 20 30 FEEDRO Cc1nc(N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)ccc1C#N ZINC001164884026 721422540 /nfs/dbraw/zinc/42/25/40/721422540.db2.gz CZNAEXZVNXBMDZ-FPOVZHCZSA-N 1 0 369.513 2.027 20 30 FEEDRO COc1cc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)ncc1C#N ZINC001164897314 721510433 /nfs/dbraw/zinc/51/04/33/721510433.db2.gz FRHFPGRRXUPYGE-SJLPKXTDSA-N 1 0 368.412 2.443 20 30 FEEDRO N#Cc1c(Cl)ncnc1N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164897122 721520536 /nfs/dbraw/zinc/52/05/36/721520536.db2.gz DSHHFENLLMTUJW-UKRRQHHQSA-N 1 0 373.819 2.483 20 30 FEEDRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2cc(Cl)cc(C#N)n2)CC1 ZINC001165011643 721735889 /nfs/dbraw/zinc/73/58/89/721735889.db2.gz UGDIDEAPCVVLOT-UHFFFAOYSA-N 1 0 361.877 2.130 20 30 FEEDRO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2C(F)(F)c1cc(Cl)nc(C#N)c1 ZINC001164928893 721862279 /nfs/dbraw/zinc/86/22/79/721862279.db2.gz OVOFAXOMCIZCIA-HUUCEWRRSA-N 1 0 369.847 2.366 20 30 FEEDRO COC(=O)[C@H](C#N)c1nc2ccccc2nc1N(C)CC1CC[NH+](C)CC1 ZINC001165043239 721936961 /nfs/dbraw/zinc/93/69/61/721936961.db2.gz RTYUJHVBJLPEJY-OAHLLOKOSA-N 1 0 367.453 2.188 20 30 FEEDRO CN(CCCc1[nH]nc(N)c1C#N)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000525846734 828736776 /nfs/dbraw/zinc/73/67/76/828736776.db2.gz NDTCXBCBHXTUSS-UHFFFAOYSA-N 1 0 369.473 2.064 20 30 FEEDRO N#Cc1ccc(NCC(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)nc1 ZINC000497879192 887706387 /nfs/dbraw/zinc/70/63/87/887706387.db2.gz CFDDLDXMTUHFHY-IBGZPJMESA-N 1 0 363.465 2.046 20 30 FEEDRO CC(C)[C@](C)(C#N)NC(=O)CN1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000021405216 539682980 /nfs/dbraw/zinc/68/29/80/539682980.db2.gz SODLWVBTKJBAOK-NRFANRHFSA-N 1 0 367.497 2.120 20 30 FEEDRO C=CCNS(=O)(=O)c1ccc(C(=O)Nc2ccccc2C[NH+](C)C)cc1 ZINC000024811858 539740985 /nfs/dbraw/zinc/74/09/85/539740985.db2.gz BXYBCOVBHUAQHA-UHFFFAOYSA-N 1 0 373.478 2.465 20 30 FEEDRO CC(=O)Nc1ccc(OC[C@@H](O)C[N@@H+](C)Cc2cccc(C#N)c2)cc1 ZINC000029723883 539862111 /nfs/dbraw/zinc/86/21/11/539862111.db2.gz BLHRXEDMKTWNEU-IBGZPJMESA-N 1 0 353.422 2.388 20 30 FEEDRO C=CCc1ccccc1OC[C@@H](O)C[NH+]1CCC(NC(=O)C2CC2)CC1 ZINC000030538808 539884474 /nfs/dbraw/zinc/88/44/74/539884474.db2.gz GQQNUAOGPJUFLZ-IBGZPJMESA-N 1 0 358.482 2.145 20 30 FEEDRO CC(C)C[C@H](CNC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+](C)C ZINC000041322309 540016970 /nfs/dbraw/zinc/01/69/70/540016970.db2.gz KZXJNBXDEPHKSJ-CQSZACIVSA-N 1 0 350.850 2.243 20 30 FEEDRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)Nc1cccc(OCC#N)c1 ZINC000041787278 540033114 /nfs/dbraw/zinc/03/31/14/540033114.db2.gz PPDRIAQPWRDGLC-INIZCTEOSA-N 1 0 372.469 2.298 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)NCc1ccc(C(N)=O)cc1)C(C)C ZINC000046905687 540276694 /nfs/dbraw/zinc/27/66/94/540276694.db2.gz JATUODWLVNGFCN-GOSISDBHSA-N 1 0 358.486 2.283 20 30 FEEDRO COc1cc(/C=C/C(=O)NCC[NH+]2CCC(C)CC2)ccc1OCC#N ZINC000046955912 540280496 /nfs/dbraw/zinc/28/04/96/540280496.db2.gz XNMMKZBEKWLOGU-GQCTYLIASA-N 1 0 357.454 2.459 20 30 FEEDRO N#Cc1cccc(COc2cccc(C[NH2+][C@H]3CCS(=O)(=O)C3)c2)c1 ZINC000047698475 540324913 /nfs/dbraw/zinc/32/49/13/540324913.db2.gz TWYWOKRWHGDDTG-SFHVURJKSA-N 1 0 356.447 2.414 20 30 FEEDRO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC[C@H](C(=O)N2CCCCC2)C1 ZINC000051557193 540437548 /nfs/dbraw/zinc/43/75/48/540437548.db2.gz FLOHARYKOFSISL-ROUUACIJSA-N 1 0 374.529 2.442 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)c(C(F)(F)F)c1 ZINC000053667205 540548072 /nfs/dbraw/zinc/54/80/72/540548072.db2.gz FTIUXXIOKHXWIE-UONOGXRCSA-N 1 0 373.400 2.482 20 30 FEEDRO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCC[C@H](C(=O)Nc2ccccn2)C1 ZINC000054183102 540573858 /nfs/dbraw/zinc/57/38/58/540573858.db2.gz PGYDMDHKMBOURQ-IRXDYDNUSA-N 1 0 356.470 2.321 20 30 FEEDRO C=C(C)CN(CC)C(=O)C[NH+]1CCC(C(=O)Nc2nccs2)CC1 ZINC000054178477 540573453 /nfs/dbraw/zinc/57/34/53/540573453.db2.gz XJSOIJWVGUMLGO-UHFFFAOYSA-N 1 0 350.488 2.218 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)NC2CC[NH+](C3CC3)CC2)c(C(F)(F)F)c1 ZINC000056007904 540694384 /nfs/dbraw/zinc/69/43/84/540694384.db2.gz RDCRGGCXPUXKQG-UHFFFAOYSA-N 1 0 373.400 2.482 20 30 FEEDRO C[C@H]1CCC[N@H+](Cc2ccc(CNS(=O)(=O)N(C)CCC#N)cc2)C1 ZINC000056058515 540698111 /nfs/dbraw/zinc/69/81/11/540698111.db2.gz KFZQCEJVCREUMC-INIZCTEOSA-N 1 0 364.515 2.098 20 30 FEEDRO CCOc1ccc(C#N)cc1NC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000056562145 540733418 /nfs/dbraw/zinc/73/34/18/540733418.db2.gz BZVULVXCZVWUQB-INIZCTEOSA-N 1 0 360.458 2.435 20 30 FEEDRO COc1ccc(C[NH2+]CC(=O)NCC(F)(F)F)cc1OCCCC#N ZINC000064614460 541212908 /nfs/dbraw/zinc/21/29/08/541212908.db2.gz ZRNNXGFJHCTFKU-UHFFFAOYSA-N 1 0 359.348 2.146 20 30 FEEDRO C=CCOc1cccc(NC(=O)C(=O)NC[C@H](C)[NH+]2CCC(C)CC2)c1 ZINC000065601398 541248114 /nfs/dbraw/zinc/24/81/14/541248114.db2.gz HAEPODBZPDHDRR-INIZCTEOSA-N 1 0 359.470 2.427 20 30 FEEDRO C[NH+](C)[C@H]1CCCN(C(=O)CCC(=O)N(CCC#N)c2ccccc2)C1 ZINC000066623381 541348505 /nfs/dbraw/zinc/34/85/05/541348505.db2.gz ITZRLHAMTHHUPI-SFHVURJKSA-N 1 0 356.470 2.266 20 30 FEEDRO CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2cccc(OCCCC#N)c2)C1 ZINC000067393298 541454999 /nfs/dbraw/zinc/45/49/99/541454999.db2.gz AKPAZEXVSHULHF-MRXNPFEDSA-N 1 0 372.469 2.156 20 30 FEEDRO C=C(C)COc1cccc(NC(=O)C(=O)NC[C@@H](C)C[NH+]2CCCC2)c1 ZINC000067532017 541475612 /nfs/dbraw/zinc/47/56/12/541475612.db2.gz VLOLSPIHVSDNEQ-MRXNPFEDSA-N 1 0 359.470 2.428 20 30 FEEDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC1(C#N)CC[NH+](C)CC1 ZINC000068359157 541581410 /nfs/dbraw/zinc/58/14/10/541581410.db2.gz PWBNUSDRACZHJV-LLVKDONJSA-N 1 0 366.805 2.120 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)S(=O)(=O)CCCCC#N ZINC000068904519 541639626 /nfs/dbraw/zinc/63/96/26/541639626.db2.gz DJUFZMZOXAFBGU-UHFFFAOYSA-N 1 0 359.442 2.352 20 30 FEEDRO CC[N@@H+]1CC[C@@H](CNC(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)C1 ZINC000543765888 541657088 /nfs/dbraw/zinc/65/70/88/541657088.db2.gz VSTKEZHGMMPGIQ-ZDUSSCGKSA-N 1 0 356.405 2.346 20 30 FEEDRO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 ZINC000544637453 541798432 /nfs/dbraw/zinc/79/84/32/541798432.db2.gz GWWWIOGILMNMOS-STQMWFEESA-N 1 0 356.405 2.439 20 30 FEEDRO CC[NH+](CC)CCOC1CCN(C(=O)Nc2ccn(CCC#N)n2)CC1 ZINC000072540722 541828585 /nfs/dbraw/zinc/82/85/85/541828585.db2.gz XHMSPLQXVHELGC-UHFFFAOYSA-N 1 0 362.478 2.151 20 30 FEEDRO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1NC(=O)NCc1cc(C#N)ccc1F ZINC000074272214 542061927 /nfs/dbraw/zinc/06/19/27/542061927.db2.gz YCFLLQRKOWMSBZ-LJHODMEESA-N 1 0 374.460 2.386 20 30 FEEDRO N#Cc1ccc(OC[C@@H](O)C[N@@H+](CCO)[C@H]2CCc3ccccc32)cc1 ZINC000074311535 542067865 /nfs/dbraw/zinc/06/78/65/542067865.db2.gz LBLTZYWNBLPHMY-RXVVDRJESA-N 1 0 352.434 2.280 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N=c2[nH]c3ccccc3n2CCCOCC)CC1 ZINC000076169892 542239595 /nfs/dbraw/zinc/23/95/95/542239595.db2.gz QGULJBLKCILMQF-UHFFFAOYSA-N 1 0 368.481 2.747 20 30 FEEDRO C=CCN1CC[C@@H]([NH2+][C@H]2CCN(C(=O)OC(C)(C)C)CC2(C)C)C1=O ZINC000801586184 674138133 /nfs/dbraw/zinc/13/81/33/674138133.db2.gz UYQIXYIKZPDIMP-CABCVRRESA-N 1 0 351.491 2.399 20 30 FEEDRO COc1cc(C#N)ccc1OCC[N@@H+]1CCCC[C@@H]1CN1CCOCC1 ZINC000077286569 542361731 /nfs/dbraw/zinc/36/17/31/542361731.db2.gz KQFHGJFVBLVAKN-GOSISDBHSA-N 1 0 359.470 2.132 20 30 FEEDRO COc1cc(C#N)ccc1OCC[N@@H+]1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000077655503 542405742 /nfs/dbraw/zinc/40/57/42/542405742.db2.gz UHJGPYKSRIRGIZ-KRWDZBQOSA-N 1 0 357.454 2.280 20 30 FEEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000801959046 674157032 /nfs/dbraw/zinc/15/70/32/674157032.db2.gz FXKHXBFSPFAGRR-VUCTXSBTSA-N 1 0 351.853 2.342 20 30 FEEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1CC[NH+](CC2CC2)CC1 ZINC000080051626 542560415 /nfs/dbraw/zinc/56/04/15/542560415.db2.gz CJCGROHRXVNBQI-KRWDZBQOSA-N 1 0 370.497 2.358 20 30 FEEDRO Cc1ccccc1-n1ccnc1SCC(=O)NC1(C#N)CC[NH+](C)CC1 ZINC000080012193 542557786 /nfs/dbraw/zinc/55/77/86/542557786.db2.gz OHURGQNUFZCNFZ-UHFFFAOYSA-N 1 0 369.494 2.377 20 30 FEEDRO CC[NH+](CC)CCOC1CCN(CC(=O)Nc2sccc2C#N)CC1 ZINC000080746934 542605001 /nfs/dbraw/zinc/60/50/01/542605001.db2.gz NKUBYRZCZIDNNJ-UHFFFAOYSA-N 1 0 364.515 2.381 20 30 FEEDRO Cn1ccc(CNC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000081510490 542661776 /nfs/dbraw/zinc/66/17/76/542661776.db2.gz YEXDEMXSITZVRH-UHFFFAOYSA-N 1 0 351.454 2.314 20 30 FEEDRO CC(C)[C@H]([NH2+]Cc1cccc(OCCCC#N)c1)C(=O)N1CCOCC1 ZINC000084053687 542706964 /nfs/dbraw/zinc/70/69/64/542706964.db2.gz NGDICQDOTOKTJF-IBGZPJMESA-N 1 0 359.470 2.342 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1cnn(Cc2ccccn2)c1 ZINC000086299601 542735881 /nfs/dbraw/zinc/73/58/81/542735881.db2.gz KVAUGMXADIYBFD-UHFFFAOYSA-N 1 0 355.446 2.026 20 30 FEEDRO C[NH+]=C(NCc1cnc(N(C)C)n1C)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000087497159 542746866 /nfs/dbraw/zinc/74/68/66/542746866.db2.gz LGCJMJPQBDDLNO-VXGBXAGGSA-N 1 0 360.428 2.272 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H]2CCCN2Cc2ccccc2)c1C#N ZINC000089677610 542768577 /nfs/dbraw/zinc/76/85/77/542768577.db2.gz LNGUPAJVDXQHEX-SFHVURJKSA-N 1 0 366.469 2.036 20 30 FEEDRO Cn1ccnc1[C@H](O)C1CC[NH+](CCC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000089926129 542774527 /nfs/dbraw/zinc/77/45/27/542774527.db2.gz PEZAYKSZUYHOKB-LJQANCHMSA-N 1 0 367.453 2.066 20 30 FEEDRO C#CCOc1ccc([C@@H](C)[NH2+]C2CCN(C(=O)c3cnccn3)CC2)cc1 ZINC000090052693 542781354 /nfs/dbraw/zinc/78/13/54/542781354.db2.gz OTLSCHJYVFNMKK-MRXNPFEDSA-N 1 0 364.449 2.444 20 30 FEEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(OCc2ccccc2C)CC1 ZINC000091811454 542827054 /nfs/dbraw/zinc/82/70/54/542827054.db2.gz IUDIJKOQQBOXFV-MRXNPFEDSA-N 1 0 359.470 2.376 20 30 FEEDRO CCS[C@@H]1CC[C@H]([N@H+](C)CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)C1 ZINC000092618916 542875827 /nfs/dbraw/zinc/87/58/27/542875827.db2.gz JCNMLZZZNZRZQG-KSZLIROESA-N 1 0 366.575 2.285 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC(C)(C(=O)OCC)CC2)CC1 ZINC000092776331 542886615 /nfs/dbraw/zinc/88/66/15/542886615.db2.gz QWJKQERGFPLONZ-UHFFFAOYSA-N 1 0 351.491 2.402 20 30 FEEDRO C[C@H](C[NH+]1CCCCC1)NC(=O)N1CCCN(c2ncccc2C#N)CC1 ZINC000098026245 543017817 /nfs/dbraw/zinc/01/78/17/543017817.db2.gz BYECHJHRIITHMF-QGZVFWFLSA-N 1 0 370.501 2.049 20 30 FEEDRO C[NH+]1CCN(c2ccc(NC(=O)CSc3ccc(C#N)cc3)cn2)CC1 ZINC000103066449 543090381 /nfs/dbraw/zinc/09/03/81/543090381.db2.gz BNFMNDILKQKQPO-UHFFFAOYSA-N 1 0 367.478 2.436 20 30 FEEDRO C[C@@H]1CN(C[C@@H]2CCC[N@@H+]2CCC(=O)Nc2ccccc2C#N)C[C@H](C)O1 ZINC000103470116 543109552 /nfs/dbraw/zinc/10/95/52/543109552.db2.gz GGKMXPJMHGUNHI-SCTDSRPQSA-N 1 0 370.497 2.460 20 30 FEEDRO CN(CC1CC[NH+](C)CC1)C(=O)C(=O)Nc1cccc(OCCCC#N)c1 ZINC000103632683 543115998 /nfs/dbraw/zinc/11/59/98/543115998.db2.gz YJIRLSWZBVDLIE-UHFFFAOYSA-N 1 0 372.469 2.108 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000104326681 543128123 /nfs/dbraw/zinc/12/81/23/543128123.db2.gz YFWUVZOGUNWUFK-UHFFFAOYSA-N 1 0 359.430 2.477 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)CCc2c(C)nc3cc(=O)[nH]n3c2C)CC1 ZINC000106035533 543186192 /nfs/dbraw/zinc/18/61/92/543186192.db2.gz MMEQNIWUMZOSES-UHFFFAOYSA-N 1 0 371.485 2.141 20 30 FEEDRO CC1CC[NH+](Cc2ccccc2CNC(=O)N2CCO[C@H](C#N)C2)CC1 ZINC000106330789 543223693 /nfs/dbraw/zinc/22/36/93/543223693.db2.gz QBBMOTJSCQJWBJ-LJQANCHMSA-N 1 0 356.470 2.352 20 30 FEEDRO C=CCOc1ccccc1C(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000107284213 543265792 /nfs/dbraw/zinc/26/57/92/543265792.db2.gz ZBLKZDUPXHJXQN-GOSISDBHSA-N 1 0 357.498 2.494 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H](Cc2ccccc2)C(=O)N(C)C)CC1 ZINC000109174661 543316548 /nfs/dbraw/zinc/31/65/48/543316548.db2.gz XILWVIJUUOEOSP-LJQANCHMSA-N 1 0 372.513 2.026 20 30 FEEDRO N#Cc1ccc(NC(=O)CC[N@@H+]2CCCC[C@@H]2CN2CCOCC2)cc1 ZINC000109819058 543340500 /nfs/dbraw/zinc/34/05/00/543340500.db2.gz VGTVUAKFDHKYEP-LJQANCHMSA-N 1 0 356.470 2.074 20 30 FEEDRO C=CC1CC[NH+](CC(=O)N2CCC(NC(=O)c3ccccc3)CC2)CC1 ZINC000111258031 543389914 /nfs/dbraw/zinc/38/99/14/543389914.db2.gz BGUUJYQDQJEKEM-UHFFFAOYSA-N 1 0 355.482 2.305 20 30 FEEDRO C[C@@H]1C[NH+](Cc2ccc(CNS(=O)(=O)CCCC#N)cc2)C[C@@H](C)O1 ZINC000111328153 543397199 /nfs/dbraw/zinc/39/71/99/543397199.db2.gz IFBDEAOLSKIUGC-HZPDHXFCSA-N 1 0 365.499 2.019 20 30 FEEDRO C=CC1CCN(C(=O)NCc2ccc(N3CC[NH+](CC)CC3)nc2)CC1 ZINC000111457656 543402413 /nfs/dbraw/zinc/40/24/13/543402413.db2.gz GGJMWCJOHPSEAL-UHFFFAOYSA-N 1 0 357.502 2.331 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CCN(c3ccccc3F)C2=O)CC1 ZINC000112391326 543444830 /nfs/dbraw/zinc/44/48/30/543444830.db2.gz MROPREXZLCLQHE-KRWDZBQOSA-N 1 0 374.460 2.271 20 30 FEEDRO CC(C)(C)C(=O)NC[C@@H]1CCC[N@H+](C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000112699604 543457956 /nfs/dbraw/zinc/45/79/56/543457956.db2.gz YNMKKMVGSXCYPG-ROUUACIJSA-N 1 0 373.497 2.172 20 30 FEEDRO N#C[C@@H]1CN(C(=O)NCc2ccccc2C[NH+]2CCCCCC2)CCO1 ZINC000112751057 543463017 /nfs/dbraw/zinc/46/30/17/543463017.db2.gz NAAOREWNNCPRKL-LJQANCHMSA-N 1 0 356.470 2.497 20 30 FEEDRO C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000114200764 543507622 /nfs/dbraw/zinc/50/76/22/543507622.db2.gz OYFCWRXVXJBZBP-INIZCTEOSA-N 1 0 367.453 2.268 20 30 FEEDRO C[C@@H]1CCC[N@H+](CCNC(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)C1 ZINC000114587392 543524702 /nfs/dbraw/zinc/52/47/02/543524702.db2.gz PWVZQKLQHQLJRN-UYAOXDASSA-N 1 0 369.513 2.138 20 30 FEEDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)COc2ccccc2C#N)[C@H](C)C1 ZINC000115274727 543557654 /nfs/dbraw/zinc/55/76/54/543557654.db2.gz BRMFZICHDZOYPI-SJLPKXTDSA-N 1 0 359.470 2.190 20 30 FEEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000118104032 543645651 /nfs/dbraw/zinc/64/56/51/543645651.db2.gz CLUBPKPKCIDEQR-KBPBESRZSA-N 1 0 360.483 2.230 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2c(C)cc(N(C)C)cc2C)CC1 ZINC000121356155 543692827 /nfs/dbraw/zinc/69/28/27/543692827.db2.gz VAZCEQUGAQGDNS-UHFFFAOYSA-N 1 0 372.513 2.465 20 30 FEEDRO N#Cc1ccc2ncc(C[NH2+]CCNc3nccc(C(F)(F)F)n3)n2c1 ZINC000119561173 543669146 /nfs/dbraw/zinc/66/91/46/543669146.db2.gz JEDDHRMNSOIPRY-UHFFFAOYSA-N 1 0 361.331 2.216 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)Nc1ccc(Cl)nc1)C(C)C ZINC000120274290 543678251 /nfs/dbraw/zinc/67/82/51/543678251.db2.gz FCGXYBZLGGOIHM-OAHLLOKOSA-N 1 0 364.877 2.488 20 30 FEEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCCC[C@H]2CC(N)=O)c1 ZINC000120572336 543682614 /nfs/dbraw/zinc/68/26/14/543682614.db2.gz YQVVJXLQSNOKOQ-KRWDZBQOSA-N 1 0 356.470 2.280 20 30 FEEDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)C1 ZINC000121971560 543702102 /nfs/dbraw/zinc/70/21/02/543702102.db2.gz VRKRVDWZZOHGTM-QAPCUYQASA-N 1 0 368.481 2.369 20 30 FEEDRO CNC(NCc1ccccc1C[NH+]1CCN(c2ccccc2)CC1)=[NH+]C ZINC000122475190 543706781 /nfs/dbraw/zinc/70/67/81/543706781.db2.gz XGENAPUYNRYOQR-UHFFFAOYSA-N 1 0 351.498 2.304 20 30 FEEDRO C[C@@H]1C[C@H](N(C)CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CC[N@@H+]1C ZINC000123662617 543775651 /nfs/dbraw/zinc/77/56/51/543775651.db2.gz MEKLWTSBHJVAAS-CRAIPNDOSA-N 1 0 366.469 2.097 20 30 FEEDRO N#Cc1ccc2ncc(C[NH2+]C3CCN(CCc4ccncc4)CC3)n2c1 ZINC000123541349 543768366 /nfs/dbraw/zinc/76/83/66/543768366.db2.gz ARQCZKCSNJNINJ-UHFFFAOYSA-N 1 0 360.465 2.398 20 30 FEEDRO C=CCOc1cccc(C[NH+]2CCC(N(CC)S(C)(=O)=O)CC2)c1 ZINC000124211660 543807306 /nfs/dbraw/zinc/80/73/06/543807306.db2.gz BUPDQJOIDUHHPN-UHFFFAOYSA-N 1 0 352.500 2.497 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@@H]1CCCCC[C@@H]1C(N)=O)C(C)C ZINC000124547993 543829186 /nfs/dbraw/zinc/82/91/86/543829186.db2.gz DWSWJHWRBLCQLG-RCCFBDPRSA-N 1 0 364.534 2.418 20 30 FEEDRO C=CCOc1cc(OC)ccc1C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000124881233 543848489 /nfs/dbraw/zinc/84/84/89/543848489.db2.gz XRAKLWJJAIZMQX-IYBDPMFKSA-N 1 0 362.470 2.489 20 30 FEEDRO COCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000124863997 543847299 /nfs/dbraw/zinc/84/72/99/543847299.db2.gz XUPUHANYZZUWPC-QGZVFWFLSA-N 1 0 358.486 2.448 20 30 FEEDRO C=CCOc1cc(OC)ccc1C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000125145370 543863473 /nfs/dbraw/zinc/86/34/73/543863473.db2.gz FNZYGVLFYFSTHY-UHFFFAOYSA-N 1 0 374.481 2.444 20 30 FEEDRO COc1cc(C#N)ccc1OCC(=O)N1CCC([N@@H+]2CCC[C@@H]2C)CC1 ZINC000125494145 543885344 /nfs/dbraw/zinc/88/53/44/543885344.db2.gz MFANPLYCRUBIMU-HNNXBMFYSA-N 1 0 357.454 2.421 20 30 FEEDRO C=CCC[C@@H](O)C[N@H+]1CCC[C@H](CNS(=O)(=O)c2ccc(C)cc2)C1 ZINC000126273611 543927191 /nfs/dbraw/zinc/92/71/91/543927191.db2.gz SBIUOBPXFCJHKZ-QZTJIDSGSA-N 1 0 366.527 2.312 20 30 FEEDRO COC[C@@H](NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)C1CC1 ZINC000126675874 543950135 /nfs/dbraw/zinc/95/01/35/543950135.db2.gz BLPZSRYIQXGQDG-LJQANCHMSA-N 1 0 356.470 2.201 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCN(CC(F)F)[C@@H](CC)C2)CC1 ZINC000127642471 544006020 /nfs/dbraw/zinc/00/60/20/544006020.db2.gz DEYXQCXGISWHBV-INIZCTEOSA-N 1 0 358.477 2.398 20 30 FEEDRO C=CCOc1ccc(C[N@@H+]2CCCN(CC(=O)N3CCCC3)CC2)cc1 ZINC000129269742 544102497 /nfs/dbraw/zinc/10/24/97/544102497.db2.gz OIJLNDYCCCSCIH-UHFFFAOYSA-N 1 0 357.498 2.382 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)Cc1csc(-c2cccnc2)n1 ZINC000130769723 544164046 /nfs/dbraw/zinc/16/40/46/544164046.db2.gz FFOXSXCSEOCNLQ-UHFFFAOYSA-N 1 0 357.483 2.442 20 30 FEEDRO C=CCn1c(SCCCN2CC[NH+](C)CC2)nnc1-c1ccccn1 ZINC000131068658 544176053 /nfs/dbraw/zinc/17/60/53/544176053.db2.gz PIJKNLXOPRLCSL-UHFFFAOYSA-N 1 0 358.515 2.256 20 30 FEEDRO Cc1ccc(N(CCC#N)C(=O)C[NH2+][C@@H]2CCCC[C@H]2C(N)=O)cc1C ZINC000131152591 544178633 /nfs/dbraw/zinc/17/86/33/544178633.db2.gz OFJHNTGOHXRBLO-QZTJIDSGSA-N 1 0 356.470 2.184 20 30 FEEDRO CN(CCC#N)C(=O)CC[N@H+](C)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000131560409 544195635 /nfs/dbraw/zinc/19/56/35/544195635.db2.gz OWDFZCACMVDHMJ-INIZCTEOSA-N 1 0 362.861 2.139 20 30 FEEDRO COC(=O)c1cccc(CCNC(=[NH2+])N[C@H]2CCOc3ccccc32)c1 ZINC000132403284 544230413 /nfs/dbraw/zinc/23/04/13/544230413.db2.gz YNNPYOCOGCTLGX-KRWDZBQOSA-N 1 0 353.422 2.444 20 30 FEEDRO C=C[C@@H](C)NC(=O)C(=O)Nc1cccc(NC(=O)CC[NH+]2CCCCC2)c1 ZINC000133899871 544286871 /nfs/dbraw/zinc/28/68/71/544286871.db2.gz HUXJYTAXBRURSO-OAHLLOKOSA-N 1 0 372.469 2.130 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCOC2(CCOCC2)C1)C(C)C ZINC000133051919 544254142 /nfs/dbraw/zinc/25/41/42/544254142.db2.gz DMYMZZCQYLNVTO-GOSISDBHSA-N 1 0 365.518 2.276 20 30 FEEDRO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccc(C#N)cc1F)c1cccs1 ZINC000135668941 544358170 /nfs/dbraw/zinc/35/81/70/544358170.db2.gz OOWIIKHVGGODAL-AWEZNQCLSA-N 1 0 360.414 2.116 20 30 FEEDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)Nc1ccc(C#N)cc1F ZINC000136057095 544365477 /nfs/dbraw/zinc/36/54/77/544365477.db2.gz KHNQISBEWZDOAX-HZSPNIEDSA-N 1 0 360.433 2.118 20 30 FEEDRO C=CCSCCNC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000151247488 544521141 /nfs/dbraw/zinc/52/11/41/544521141.db2.gz ATRALNLPMVOZNF-QZTJIDSGSA-N 1 0 363.527 2.088 20 30 FEEDRO C=CCNC(=O)NC(=O)CN1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000152668360 544681568 /nfs/dbraw/zinc/68/15/68/544681568.db2.gz WBGJWORAYXJFSG-CYBMUJFWSA-N 1 0 362.499 2.213 20 30 FEEDRO CCO[C@@H]1C[C@@H](O)C12CC[NH+](CCC(=O)Nc1sccc1C#N)CC2 ZINC000152761823 544693093 /nfs/dbraw/zinc/69/30/93/544693093.db2.gz ZGMWJYFADQULJD-HUUCEWRRSA-N 1 0 363.483 2.200 20 30 FEEDRO C[N@H+](CCCc1nc(-c2cccs2)no1)CCCc1[nH]nc(N)c1C#N ZINC000153316835 544760527 /nfs/dbraw/zinc/76/05/27/544760527.db2.gz DVMVCLWBAOWBEX-UHFFFAOYSA-N 1 0 371.470 2.472 20 30 FEEDRO CCOc1ccc(NC(=O)[C@@H](C)[N@H+](C)CCCc2[nH]nc(N)c2C#N)cc1 ZINC000153321156 544761909 /nfs/dbraw/zinc/76/19/09/544761909.db2.gz JEXYMZFIPGGWQY-CYBMUJFWSA-N 1 0 370.457 2.154 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)CNc1cccc(C#N)c1 ZINC000153416112 544773729 /nfs/dbraw/zinc/77/37/29/544773729.db2.gz LAAGDUHKPKKITQ-UHFFFAOYSA-N 1 0 361.449 2.432 20 30 FEEDRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(CCOc2ccccc2C#N)CC1 ZINC000153910781 544839102 /nfs/dbraw/zinc/83/91/02/544839102.db2.gz NGAJAVGYUJJINV-OALUTQOASA-N 1 0 356.514 2.427 20 30 FEEDRO C[C@@H](CNC(=O)C(=O)Nc1cc(C#N)ccc1Cl)[N@@H+]1CCC[C@@H](C)C1 ZINC000154511862 544916197 /nfs/dbraw/zinc/91/61/97/544916197.db2.gz UCHXRLDOWJZISS-OLZOCXBDSA-N 1 0 362.861 2.387 20 30 FEEDRO C[C@@H](CNS(=O)(=O)c1cccc(Br)c1C#N)[N@H+](C)C1CC1 ZINC000553479822 674264836 /nfs/dbraw/zinc/26/48/36/674264836.db2.gz PDYNFNQASPKOMQ-JTQLQIEISA-N 1 0 372.288 2.082 20 30 FEEDRO C[C@@H](C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)CN1CCOCC1 ZINC000181781845 327745890 /nfs/dbraw/zinc/74/58/90/327745890.db2.gz SFIWDJDMOBBLMY-SFHVURJKSA-N 1 0 356.514 2.081 20 30 FEEDRO COc1cc(C#N)ccc1OCC[NH2+][C@H](CS(C)(=O)=O)c1ccccc1 ZINC000181804452 327746995 /nfs/dbraw/zinc/74/69/95/327746995.db2.gz LPHPFARBBKDNKM-QGZVFWFLSA-N 1 0 374.462 2.321 20 30 FEEDRO CN(C)C(=O)N1CCC([NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)CC1 ZINC000181954028 327754319 /nfs/dbraw/zinc/75/43/19/327754319.db2.gz ACRVGMFBPUAWGK-UHFFFAOYSA-N 1 0 371.485 2.379 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)Nc1cccc(C#N)c1 ZINC000189309605 328140223 /nfs/dbraw/zinc/14/02/23/328140223.db2.gz JIZJDHHLZOJWND-UHFFFAOYSA-N 1 0 368.412 2.226 20 30 FEEDRO CCOCCC[N@@H+]1CC[C@H](NCC(=O)Nc2ccc(C#N)cc2)[C@H](C)C1 ZINC000190003697 328181727 /nfs/dbraw/zinc/18/17/27/328181727.db2.gz LYELFEBJBUJBBO-APWZRJJASA-N 1 0 358.486 2.223 20 30 FEEDRO Cn1cc(C[NH2+]Cc2cccc(C(=O)NC[C@@H]3CCCO3)c2)cc1C#N ZINC000190873258 328237631 /nfs/dbraw/zinc/23/76/31/328237631.db2.gz HHBRVUMAIPVXME-IBGZPJMESA-N 1 0 352.438 2.095 20 30 FEEDRO C[C@@H](NC(=O)C(=O)Nc1cccc(C#N)c1)[C@@H](c1ccccc1)[NH+](C)C ZINC000191248501 328256154 /nfs/dbraw/zinc/25/61/54/328256154.db2.gz IULGTXIBZVZMII-KDOFPFPSSA-N 1 0 350.422 2.304 20 30 FEEDRO CC[NH+]1CCC(CCNC(=O)C2CCN(c3oc(C)nc3C#N)CC2)CC1 ZINC000192222793 328307440 /nfs/dbraw/zinc/30/74/40/328307440.db2.gz WWUIWDOGRAVPIS-UHFFFAOYSA-N 1 0 373.501 2.309 20 30 FEEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000193446242 328376061 /nfs/dbraw/zinc/37/60/61/328376061.db2.gz BVAUPTLKQSZAQW-UHFFFAOYSA-N 1 0 358.486 2.175 20 30 FEEDRO N#Cc1cc(NC(=O)C(=O)N2CCC(C[NH+]3CCCC3)CC2)ccc1Cl ZINC000193633168 328386867 /nfs/dbraw/zinc/38/68/67/328386867.db2.gz ZGWMJLJTZFSRJP-UHFFFAOYSA-N 1 0 374.872 2.485 20 30 FEEDRO CCC(CC)[C@H](CNC(=O)NCc1cccc(C#N)c1)[NH+]1CCOCC1 ZINC000048505926 324665777 /nfs/dbraw/zinc/66/57/77/324665777.db2.gz KDJNOXVJNPPAIC-IBGZPJMESA-N 1 0 358.486 2.494 20 30 FEEDRO CC(C)C[C@H](CNC(=O)C(=O)Nc1cc(C#N)ccc1OC(C)C)[NH+](C)C ZINC000054848901 324766460 /nfs/dbraw/zinc/76/64/60/324766460.db2.gz JPDRWAWGMWXFMY-MRXNPFEDSA-N 1 0 374.485 2.376 20 30 FEEDRO C[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)C1 ZINC000083537917 325218640 /nfs/dbraw/zinc/21/86/40/325218640.db2.gz KXDGUYWYQWFQGE-NSHDSACASA-N 1 0 361.389 2.197 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)NCC[C@H]2CCC[NH2+]C2)cc1C(F)(F)F ZINC000237833245 328530519 /nfs/dbraw/zinc/53/05/19/328530519.db2.gz STBCZLURJUJKCG-LLVKDONJSA-N 1 0 361.389 2.245 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)Cc2cc(Cl)ccc2OC)c1C#N ZINC000089674446 325325967 /nfs/dbraw/zinc/32/59/67/325325967.db2.gz MAEYHQOZZLVPEQ-UHFFFAOYSA-N 1 0 361.833 2.277 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2F)c1C#N ZINC000089662741 325326194 /nfs/dbraw/zinc/32/61/94/325326194.db2.gz HHDLYSONFPWQRV-OLZOCXBDSA-N 1 0 359.380 2.454 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@H]2C[C@@H]2c2cccc(OC)c2)c1C#N ZINC000089662261 325326243 /nfs/dbraw/zinc/32/62/43/325326243.db2.gz WVUMTBRLYXGCSS-CABCVRRESA-N 1 0 353.426 2.184 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@H]2C[C@H]2c2cccc(OC)c2)c1C#N ZINC000089662266 325326325 /nfs/dbraw/zinc/32/63/25/325326325.db2.gz WVUMTBRLYXGCSS-GJZGRUSLSA-N 1 0 353.426 2.184 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)Cc2cccc(OC(F)F)c2)c1C#N ZINC000089675890 325326539 /nfs/dbraw/zinc/32/65/39/325326539.db2.gz ZHTVSIZARZJVII-UHFFFAOYSA-N 1 0 363.368 2.216 20 30 FEEDRO CC(C)c1ccccc1OC[C@@H](O)C[N@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000089943778 325344324 /nfs/dbraw/zinc/34/43/24/325344324.db2.gz GWFKRKDBPKTPOK-HNNXBMFYSA-N 1 0 371.485 2.291 20 30 FEEDRO C[NH+](C)CCC(=O)Nc1ccc(NS(=O)(=O)c2cccc(C#N)c2)cc1 ZINC000107061877 325619011 /nfs/dbraw/zinc/61/90/11/325619011.db2.gz OJJJLEJAHFHOQH-UHFFFAOYSA-N 1 0 372.450 2.249 20 30 FEEDRO N#Cc1ccc(C(=O)NCC(=O)NCCCCC[NH+]2CCCCC2)cc1 ZINC000111646237 325728345 /nfs/dbraw/zinc/72/83/45/325728345.db2.gz ZPLYELFQKBRARS-UHFFFAOYSA-N 1 0 356.470 2.060 20 30 FEEDRO CCc1nc2ccccc2n1CC(=O)N1CCN(c2ccc(C#N)cn2)CC1 ZINC000117700555 326067351 /nfs/dbraw/zinc/06/73/51/326067351.db2.gz YIKZVOYOUIMTCE-UHFFFAOYSA-N 1 0 374.448 2.214 20 30 FEEDRO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1cc(C#N)ccc1OC(C)C ZINC000118118006 326082801 /nfs/dbraw/zinc/08/28/01/326082801.db2.gz RTEVXNVJCAVLII-AWEZNQCLSA-N 1 0 360.458 2.130 20 30 FEEDRO C[C@H](c1ccc(C#N)cc1)[NH+]1CCC(CC(=O)N2CCN(C)CC2)CC1 ZINC000118399214 326090521 /nfs/dbraw/zinc/09/05/21/326090521.db2.gz JPANMOKPHUSOEB-QGZVFWFLSA-N 1 0 354.498 2.495 20 30 FEEDRO CCC[C@@H]1CN(CCC(=O)Nc2ccccc2C#N)CC[N@@H+]1CCOC ZINC000121918091 326375933 /nfs/dbraw/zinc/37/59/33/326375933.db2.gz LQOWLKRKKNKPNZ-GOSISDBHSA-N 1 0 358.486 2.320 20 30 FEEDRO N#Cc1cc(F)ccc1S(=O)(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000122464481 326397796 /nfs/dbraw/zinc/39/77/96/326397796.db2.gz MMMWXIQUZWSANF-CQSZACIVSA-N 1 0 351.447 2.194 20 30 FEEDRO CCc1cc(N2CCC[C@H]([NH2+]Cc3cnc4ccc(C#N)cn34)C2)ncn1 ZINC000123744946 326441595 /nfs/dbraw/zinc/44/15/95/326441595.db2.gz YPEPFTOGRJKYFC-KRWDZBQOSA-N 1 0 361.453 2.317 20 30 FEEDRO CC(C)(C)[NH2+]CCNC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000127924165 326515003 /nfs/dbraw/zinc/51/50/03/326515003.db2.gz REEYEVHKFBUFHS-UHFFFAOYSA-N 1 0 356.348 2.020 20 30 FEEDRO C[C@@H](NC(=O)C(=O)Nc1cc(C#N)ccc1Cl)C(C)(C)C[NH+](C)C ZINC000133539079 326610735 /nfs/dbraw/zinc/61/07/35/326610735.db2.gz CDFDXGZXTNVWEZ-LLVKDONJSA-N 1 0 350.850 2.243 20 30 FEEDRO C[C@@H](Oc1ccccc1C#N)C(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C ZINC000150850205 326669493 /nfs/dbraw/zinc/66/94/93/326669493.db2.gz TXWJEYRMBDTHAB-CYBMUJFWSA-N 1 0 366.421 2.125 20 30 FEEDRO CCO[C@H]1C[C@H](O)C12CC[NH+](CCC(=O)Nc1sccc1C#N)CC2 ZINC000152761715 326715892 /nfs/dbraw/zinc/71/58/92/326715892.db2.gz ZGMWJYFADQULJD-GJZGRUSLSA-N 1 0 363.483 2.200 20 30 FEEDRO N#Cc1ccc(F)c(CS(=O)(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000162398286 327024708 /nfs/dbraw/zinc/02/47/08/327024708.db2.gz NDRNKPLLJMKODD-QGZVFWFLSA-N 1 0 365.474 2.477 20 30 FEEDRO Cc1cc(C#N)ccc1C(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000164212530 327066375 /nfs/dbraw/zinc/06/63/75/327066375.db2.gz SHXRQYRIOJFWAE-HDICACEKSA-N 1 0 354.498 2.497 20 30 FEEDRO N#Cc1ccc(N2CCN(C(=O)NCCC[NH+]3CCCCC3)CC2)c(F)c1 ZINC000171005118 327112016 /nfs/dbraw/zinc/11/20/16/327112016.db2.gz KXROYPUEZUQBPB-UHFFFAOYSA-N 1 0 373.476 2.405 20 30 FEEDRO CC[NH+](CC)[C@@H](CNC(=O)CNC(=O)c1ccc(C#N)cc1)c1ccco1 ZINC000171117286 327119330 /nfs/dbraw/zinc/11/93/30/327119330.db2.gz CEXCCLPHYYGQIH-KRWDZBQOSA-N 1 0 368.437 2.080 20 30 FEEDRO C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)Cc1ccc(C#N)cc1 ZINC000172596610 327210384 /nfs/dbraw/zinc/21/03/84/327210384.db2.gz CHGXTVSJSHKEHO-SFHVURJKSA-N 1 0 362.477 2.428 20 30 FEEDRO C[C@@H](NC(=O)c1ccc(-n2ncc(C#N)c2N)cc1)C(C)(C)C[NH+](C)C ZINC000173055947 327232828 /nfs/dbraw/zinc/23/28/28/327232828.db2.gz RDSUXIVZTSMLKC-CYBMUJFWSA-N 1 0 354.458 2.032 20 30 FEEDRO Cc1cccc(NC(=O)C(=O)NC[C@]2([NH+](C)C)CCC[C@H](C)C2)c1C#N ZINC000174767803 327349574 /nfs/dbraw/zinc/34/95/74/327349574.db2.gz BLYRBPAUYYWDGZ-XOBRGWDASA-N 1 0 356.470 2.432 20 30 FEEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000178004436 327558298 /nfs/dbraw/zinc/55/82/98/327558298.db2.gz NEKWMKVLCGVCEW-JKSUJKDBSA-N 1 0 372.469 2.273 20 30 FEEDRO CN(C1C[C@H]2CC[C@@H](C1)[NH2+]2)S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000262149825 328846057 /nfs/dbraw/zinc/84/60/57/328846057.db2.gz YVYLKILFVLMGQR-FUNVUKJBSA-N 1 0 373.400 2.481 20 30 FEEDRO C[C@@H](NC(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1)c1ccc(C#N)cc1 ZINC000264518201 329031920 /nfs/dbraw/zinc/03/19/20/329031920.db2.gz HDTRKXGLXZHIQM-XLIONFOSSA-N 1 0 369.513 2.431 20 30 FEEDRO C[C@@H](NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)[C@@H]1CCOC1 ZINC000266563467 329236521 /nfs/dbraw/zinc/23/65/21/329236521.db2.gz NFQSKGAZLGZIEQ-VQIMIIECSA-N 1 0 356.470 2.201 20 30 FEEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NS(=O)(=O)c1ccc(C#N)nc1 ZINC000267289187 329310858 /nfs/dbraw/zinc/31/08/58/329310858.db2.gz QWOBMMPFGCJPNF-BEFAXECRSA-N 1 0 370.478 2.142 20 30 FEEDRO CC(C)[NH+]1CCC(O)(CNC(=O)CCCCOc2cccc(C#N)c2)CC1 ZINC000268456109 329421927 /nfs/dbraw/zinc/42/19/27/329421927.db2.gz JLFBAFBWQRDVOC-UHFFFAOYSA-N 1 0 373.497 2.459 20 30 FEEDRO C[NH+](C)CCN(Cc1ccco1)C(=O)C(=O)Nc1ccc(C#N)cc1Cl ZINC000269125145 329488293 /nfs/dbraw/zinc/48/82/93/329488293.db2.gz TXHKVKWJAZXFKO-UHFFFAOYSA-N 1 0 374.828 2.334 20 30 FEEDRO COCCOc1ccc(C#N)cc1NC(=O)NCC1(C)CC[NH+](C)CC1 ZINC000273206675 329845455 /nfs/dbraw/zinc/84/54/55/329845455.db2.gz RJGCGBBDHMKWOJ-UHFFFAOYSA-N 1 0 360.458 2.437 20 30 FEEDRO CS[C@@H]1CN(CC(=O)Nc2sccc2C#N)C[C@@H]1[NH+]1CCCC1 ZINC000274046074 329910805 /nfs/dbraw/zinc/91/08/05/329910805.db2.gz NQMHUBFUEHUQGG-UONOGXRCSA-N 1 0 350.513 2.070 20 30 FEEDRO COC(=O)COc1ccc([C@H](C)[NH2+]CC(=O)Nc2cccc(C#N)c2)cc1 ZINC000274428849 329947987 /nfs/dbraw/zinc/94/79/87/329947987.db2.gz GMGCQQPQAGDSMS-AWEZNQCLSA-N 1 0 367.405 2.399 20 30 FEEDRO CCN(CCC[NH+](C)C)C(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000276335556 330141968 /nfs/dbraw/zinc/14/19/68/330141968.db2.gz YZCPLDVFRBCWGY-UHFFFAOYSA-N 1 0 370.375 2.316 20 30 FEEDRO C[NH+](C)CCc1ccc(CNC(=O)C(=O)Nc2ccc(C#N)cc2F)cc1 ZINC000276351750 330143889 /nfs/dbraw/zinc/14/38/89/330143889.db2.gz DJJNOJRNUSRMGO-UHFFFAOYSA-N 1 0 368.412 2.056 20 30 FEEDRO Cc1cccc(NC(=O)C(=O)NCc2ccc(CC[NH+](C)C)cc2)c1C#N ZINC000276486253 330157038 /nfs/dbraw/zinc/15/70/38/330157038.db2.gz UDHTWRNZTOEZLS-UHFFFAOYSA-N 1 0 364.449 2.226 20 30 FEEDRO Cc1nc(C#N)c(N2CCC(C(=O)Nc3cc(C[NH+](C)C)ccn3)CC2)o1 ZINC000276492213 330157669 /nfs/dbraw/zinc/15/76/69/330157669.db2.gz VCKQXENNWNDAJC-UHFFFAOYSA-N 1 0 368.441 2.166 20 30 FEEDRO N#Cc1ccc(OC[C@@H](O)C[NH2+][C@@]2(CO)CCCc3ccccc32)cc1 ZINC000367110189 330217981 /nfs/dbraw/zinc/21/79/81/330217981.db2.gz WOUCEJNXAIXUTH-GHTZIAJQSA-N 1 0 352.434 2.112 20 30 FEEDRO CC(C)CC(=O)N1CCC(C[NH+]2CCN(c3ccc(C#N)nc3)CC2)CC1 ZINC000367260118 330237493 /nfs/dbraw/zinc/23/74/93/330237493.db2.gz ZUENLEHUHVKDCL-UHFFFAOYSA-N 1 0 369.513 2.360 20 30 FEEDRO C=C(C[NH+](C)C)C(=O)N1CCCC[C@@H]1COC(=O)N1CCC[C@@H](C)C1 ZINC000804664646 674296346 /nfs/dbraw/zinc/29/63/46/674296346.db2.gz OAUCBNRLXCQWOX-NVXWUHKLSA-N 1 0 351.491 2.354 20 30 FEEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000155621969 545550226 /nfs/dbraw/zinc/55/02/26/545550226.db2.gz QEKARPHEKYAXIL-IEBWSBKVSA-N 1 0 357.502 2.289 20 30 FEEDRO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1CCC(Cn2ccnn2)CC1 ZINC000155634952 545552329 /nfs/dbraw/zinc/55/23/29/545552329.db2.gz UZAVRZIKJOTYIF-OHTSDLOESA-N 1 0 372.517 2.309 20 30 FEEDRO CC(=O)N1CC[C@H](C[N@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000156499049 545631515 /nfs/dbraw/zinc/63/15/15/545631515.db2.gz WQDKSDCTDOGWJK-CQSZACIVSA-N 1 0 374.510 2.237 20 30 FEEDRO C=C(C)CNC(=O)N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000156518299 545632323 /nfs/dbraw/zinc/63/23/23/545632323.db2.gz DNSVXFGOYDAXRE-GOSISDBHSA-N 1 0 357.502 2.201 20 30 FEEDRO CC(=O)N1CC[C@@H](C[N@@H+](C)[C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000156585672 545637257 /nfs/dbraw/zinc/63/72/57/545637257.db2.gz RIPVYZQVGQJEGZ-JSGCOSHPSA-N 1 0 362.861 2.339 20 30 FEEDRO N#Cc1cccc(S(=O)(=O)CCN2CCC[C@@H]([NH+]3CCCCC3)C2)c1 ZINC000156734288 545653575 /nfs/dbraw/zinc/65/35/75/545653575.db2.gz JGJMHFWJJRHEIO-GOSISDBHSA-N 1 0 361.511 2.282 20 30 FEEDRO N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000158858567 545901218 /nfs/dbraw/zinc/90/12/18/545901218.db2.gz PUGLXVVPGLQZRW-AWEZNQCLSA-N 1 0 373.400 2.436 20 30 FEEDRO C[C@H](CCN1CCOCC1)[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000478261608 561163298 /nfs/dbraw/zinc/16/32/98/561163298.db2.gz XWRSYLZYAJXGKT-MRXNPFEDSA-N 1 0 353.470 2.159 20 30 FEEDRO C[NH+]=C(NCc1c(C)nn(-c2ccccc2)c1C)N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000159872197 545987911 /nfs/dbraw/zinc/98/79/11/545987911.db2.gz SUKUWMALEZYDEC-QRQLOZEOSA-N 1 0 353.470 2.474 20 30 FEEDRO CC[NH+]=C(NCc1c(C)nn(C)c1C)N1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000160085963 546007059 /nfs/dbraw/zinc/00/70/59/546007059.db2.gz YAZABPANRUUEFW-RDTXWAMCSA-N 1 0 357.506 2.282 20 30 FEEDRO CO/N=C/c1ccc(C(=O)NC[C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)cc1 ZINC000160628104 546058326 /nfs/dbraw/zinc/05/83/26/546058326.db2.gz BWXXUKOTZGDTIP-RPJKTVKLSA-N 1 0 367.449 2.032 20 30 FEEDRO C[NH+]=C(NC[C@@H](C)c1c(C)noc1C)N1CCN(C(=O)c2ccco2)CC1 ZINC000161117539 546102090 /nfs/dbraw/zinc/10/20/90/546102090.db2.gz NYVWFYICKDJIOL-CYBMUJFWSA-N 1 0 373.457 2.021 20 30 FEEDRO C[C@H]([NH2+]CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)[C@@H]1CCOC1 ZINC000162929104 546142801 /nfs/dbraw/zinc/14/28/01/546142801.db2.gz JVKSNTXSNCVJKA-DZGCQCFKSA-N 1 0 354.372 2.188 20 30 FEEDRO C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)N1CCN([C@@H](C)C(F)(F)F)CC1 ZINC000165279262 546153586 /nfs/dbraw/zinc/15/35/86/546153586.db2.gz DHQTYZQSRRBSGI-XQLPTFJDSA-N 1 0 374.451 2.088 20 30 FEEDRO COc1ccc(NC(=[NH2+])NCCN2c3ccccc3CC2=O)cc1OC ZINC000170909746 546181349 /nfs/dbraw/zinc/18/13/49/546181349.db2.gz ZDRZLXHFDCNDQZ-UHFFFAOYSA-N 1 0 354.410 2.020 20 30 FEEDRO COc1ccccc1CNC(=[NH2+])NCc1ccc(-n2ccnc2C)nc1 ZINC000170912495 546182374 /nfs/dbraw/zinc/18/23/74/546182374.db2.gz NGFDDCDDQYDIAT-UHFFFAOYSA-N 1 0 350.426 2.189 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCN(c2cccnn2)CC1)C(C)C ZINC000171011085 546185471 /nfs/dbraw/zinc/18/54/71/546185471.db2.gz RHKQWIVOZIRBJF-GOSISDBHSA-N 1 0 372.517 2.007 20 30 FEEDRO COc1ccc(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000479212749 561184842 /nfs/dbraw/zinc/18/48/42/561184842.db2.gz HKUCIXISKSZUFX-UHFFFAOYSA-N 1 0 350.422 2.378 20 30 FEEDRO C=CCSCCNC(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000171667680 546218366 /nfs/dbraw/zinc/21/83/66/546218366.db2.gz SZFOOJCPXJJCQX-CALCHBBNSA-N 1 0 354.564 2.106 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)[C@H]2CCCN(C(=O)c3ccccc3)C2)CC1 ZINC000171716610 546220626 /nfs/dbraw/zinc/22/06/26/546220626.db2.gz FDHXRNMJUFNBQO-SFHVURJKSA-N 1 0 355.482 2.305 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)NCc2ccc(Cn3cccn3)cc2)CC1 ZINC000171713639 546221003 /nfs/dbraw/zinc/22/10/03/546221003.db2.gz CFQYTSMWIBQATK-UHFFFAOYSA-N 1 0 353.470 2.381 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)NCc2cccc(Cn3cccn3)c2)CC1 ZINC000171721420 546221474 /nfs/dbraw/zinc/22/14/74/546221474.db2.gz KSNXMQPBDQLUOA-UHFFFAOYSA-N 1 0 353.470 2.381 20 30 FEEDRO N#CCCCCNC(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000171740313 546223555 /nfs/dbraw/zinc/22/35/55/546223555.db2.gz IQTVHQDZXUVWJY-UHFFFAOYSA-N 1 0 357.502 2.187 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccccc2OCC2CC2)CC1 ZINC000173272349 546277094 /nfs/dbraw/zinc/27/70/94/546277094.db2.gz JXNMLHAULQYQMB-UHFFFAOYSA-N 1 0 357.454 2.181 20 30 FEEDRO C[C@H](CNC(=O)Nc1ccn(CCC#N)n1)[N@@H+]1CCc2ccccc2C1 ZINC000173342158 546279092 /nfs/dbraw/zinc/27/90/92/546279092.db2.gz OXSPGGPGJNQSJT-OAHLLOKOSA-N 1 0 352.442 2.365 20 30 FEEDRO COCC[NH+]1CCC(N[C@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)CC1 ZINC000173644401 546284642 /nfs/dbraw/zinc/28/46/42/546284642.db2.gz NJJNMVQWLLKOAD-GOSISDBHSA-N 1 0 372.513 2.331 20 30 FEEDRO C#CCOc1ccc(F)cc1NC(=O)NCCCC[N@H+]1CCC[C@H]1CO ZINC000173785832 546286452 /nfs/dbraw/zinc/28/64/52/546286452.db2.gz IWIYVRPKQXGCSP-INIZCTEOSA-N 1 0 363.433 2.196 20 30 FEEDRO C#Cc1cccc(NC(=O)CNC(=O)NCCC2CC[NH+](CC)CC2)c1 ZINC000174153916 546293042 /nfs/dbraw/zinc/29/30/42/546293042.db2.gz NBRKSYGFEMWWND-UHFFFAOYSA-N 1 0 356.470 2.028 20 30 FEEDRO CC[N@H+](C)C[C@H]1CCN(C(=O)/C=C/c2ccc(OCC#N)c(OC)c2)C1 ZINC000174505532 546297993 /nfs/dbraw/zinc/29/79/93/546297993.db2.gz YZMKUJMMKKAIGR-DBWMJRBXSA-N 1 0 357.454 2.411 20 30 FEEDRO N#Cc1ccc(CNC(=O)N2CCC(OCC[NH+]3CCCC3)CC2)c(F)c1 ZINC000174766566 546303152 /nfs/dbraw/zinc/30/31/52/546303152.db2.gz DDYRSOGEWIFPTI-UHFFFAOYSA-N 1 0 374.460 2.484 20 30 FEEDRO Cc1ccc(CNC(=O)C2CC[NH+]([C@H](C)C(=O)N(C)CCC#N)CC2)cc1 ZINC000175323583 546308303 /nfs/dbraw/zinc/30/83/03/546308303.db2.gz GAQLVTOANKDGOE-QGZVFWFLSA-N 1 0 370.497 2.084 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@]2(F)CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000175588273 546316250 /nfs/dbraw/zinc/31/62/50/546316250.db2.gz UWGZSXHHBXNGKH-IBGZPJMESA-N 1 0 369.481 2.492 20 30 FEEDRO CC(C)[C@H](CNC(=O)c1cccc(SCC#N)c1)[NH+]1CCN(C)CC1 ZINC000175999318 546388334 /nfs/dbraw/zinc/38/83/34/546388334.db2.gz SZIYGYJKWYSRFK-SFHVURJKSA-N 1 0 360.527 2.304 20 30 FEEDRO COC(=O)[C@H](NC1CC[NH+](Cc2ccccn2)CC1)c1cccc(C#N)c1 ZINC000176719786 546479788 /nfs/dbraw/zinc/47/97/88/546479788.db2.gz RZPONJQNTAWBQH-HXUWFJFHSA-N 1 0 364.449 2.422 20 30 FEEDRO COc1cc(OC)cc(N2CC[C@@H](CNC(=[NH2+])Nc3ccccn3)C2)c1 ZINC000177011329 546522510 /nfs/dbraw/zinc/52/25/10/546522510.db2.gz LREWALWRWWHOOR-AWEZNQCLSA-N 1 0 355.442 2.352 20 30 FEEDRO CCC[NH+]1CCC(CNS(=O)(=O)Cc2ccc(C#N)cc2F)CC1 ZINC000481037073 561223393 /nfs/dbraw/zinc/22/33/93/561223393.db2.gz LTIFNANOIKLJQJ-UHFFFAOYSA-N 1 0 353.463 2.239 20 30 FEEDRO C#Cc1cccc(NC(=O)CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)c1 ZINC000177683255 546666762 /nfs/dbraw/zinc/66/67/62/546666762.db2.gz OCBAGQFFTXADJQ-KRWDZBQOSA-N 1 0 353.466 2.377 20 30 FEEDRO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCC[C@H](CNC(=O)c2ccccc2)C1 ZINC000178042739 546728029 /nfs/dbraw/zinc/72/80/29/546728029.db2.gz LYVMEBZUABEZJV-ZWKOTPCHSA-N 1 0 370.497 2.137 20 30 FEEDRO Cc1c(C#N)cccc1NC(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000178561129 546812080 /nfs/dbraw/zinc/81/20/80/546812080.db2.gz IQYUJFAZASOMRW-UHFFFAOYSA-N 1 0 355.486 2.358 20 30 FEEDRO COc1ccccc1CNC(=[NH2+])NCCNc1nccc(C(F)(F)F)n1 ZINC000178562736 546812952 /nfs/dbraw/zinc/81/29/52/546812952.db2.gz IXYIHAJJZTZJKR-UHFFFAOYSA-N 1 0 368.363 2.020 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)C(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000481782579 561242159 /nfs/dbraw/zinc/24/21/59/561242159.db2.gz YGLYBVZETQDAIJ-HZPDHXFCSA-N 1 0 363.527 2.499 20 30 FEEDRO CC(C)[C@H](C#N)N1CCN(C(=O)C[NH2+][C@@H](c2ccccc2)C2CC2)CC1 ZINC000179692687 546999904 /nfs/dbraw/zinc/99/99/04/546999904.db2.gz NBIHQRJAXBXWSF-FPOVZHCZSA-N 1 0 354.498 2.420 20 30 FEEDRO C[C@H](C#N)Oc1ccccc1NC(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000180050724 547044659 /nfs/dbraw/zinc/04/46/59/547044659.db2.gz NZVWAYJOYYLKFS-OAHLLOKOSA-N 1 0 358.442 2.306 20 30 FEEDRO Cn1cc(C[NH2+]CCN2CCOCC2(C)C)c(-c2ccc(C#N)cc2)n1 ZINC000180164494 547061950 /nfs/dbraw/zinc/06/19/50/547061950.db2.gz BQWYWXBADFNKOO-UHFFFAOYSA-N 1 0 353.470 2.159 20 30 FEEDRO C=CCNC(=O)CNC(=O)NCc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000180408538 547102866 /nfs/dbraw/zinc/10/28/66/547102866.db2.gz DVQSJHMGMNQWNM-CALCHBBNSA-N 1 0 372.513 2.266 20 30 FEEDRO C=CCOc1cccc(C[NH+]2CCC(C(=O)NCC(=O)OCC)CC2)c1 ZINC000180770658 547177339 /nfs/dbraw/zinc/17/73/39/547177339.db2.gz KNXMDTJUJBXTQH-UHFFFAOYSA-N 1 0 360.454 2.143 20 30 FEEDRO C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@H](C)c1ccc(S(=O)(=O)NC)cc1 ZINC000181046356 547238676 /nfs/dbraw/zinc/23/86/76/547238676.db2.gz BFXLCLMKSUWTOQ-CABCVRRESA-N 1 0 367.515 2.058 20 30 FEEDRO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@@H](C)c1cccc(N2CCCC2=O)c1 ZINC000181411717 547311016 /nfs/dbraw/zinc/31/10/16/547311016.db2.gz KBWQUXQYRGEADD-CVEARBPZSA-N 1 0 356.470 2.472 20 30 FEEDRO CC(C)Oc1ccc(NC(=O)N2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)cc1C#N ZINC000182082523 547434299 /nfs/dbraw/zinc/43/42/99/547434299.db2.gz XKNKREISAIWNSQ-HUUCEWRRSA-N 1 0 360.458 2.264 20 30 FEEDRO CCCC[N@H+](CCCO)CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000182150913 547444650 /nfs/dbraw/zinc/44/46/50/547444650.db2.gz RQGSUJOBDPWZHT-UHFFFAOYSA-N 1 0 355.442 2.167 20 30 FEEDRO CC[NH+](CC)CCCC1CCN(S(=O)(=O)c2ccc(C#N)nc2)CC1 ZINC000182380747 547482340 /nfs/dbraw/zinc/48/23/40/547482340.db2.gz UORXASUOWMADIC-UHFFFAOYSA-N 1 0 364.515 2.476 20 30 FEEDRO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3C[C@H](C)[C@H]4CCCC[C@@H]43)CC2)o1 ZINC000182470068 547499021 /nfs/dbraw/zinc/49/90/21/547499021.db2.gz XREVEUCDHSULFN-LESCRADOSA-N 1 0 371.485 2.014 20 30 FEEDRO N#Cc1cc(F)c(C(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)c(F)c1 ZINC000183426867 547656883 /nfs/dbraw/zinc/65/68/83/547656883.db2.gz HUBYLVDSLZGVFV-INIZCTEOSA-N 1 0 371.387 2.333 20 30 FEEDRO CCO[C@H]1COCC[C@@H]1[NH2+]CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000484636136 561301672 /nfs/dbraw/zinc/30/16/72/561301672.db2.gz BQKYKUSAKIESQI-HKUYNNGSSA-N 1 0 359.470 2.334 20 30 FEEDRO CCO[C@@H]1COCC[C@@H]1[NH2+][C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000484654819 561302490 /nfs/dbraw/zinc/30/24/90/561302490.db2.gz SAVLGKNDVDSRHJ-MYTOGIIISA-N 1 0 351.491 2.089 20 30 FEEDRO C[C@H](C#N)Oc1ccccc1NC(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000184327637 547808208 /nfs/dbraw/zinc/80/82/08/547808208.db2.gz BECPGENIXUGQCS-OAHLLOKOSA-N 1 0 360.458 2.288 20 30 FEEDRO CC(C)OC(=O)C[C@H]1CCC[N@H+](C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000184498949 547837128 /nfs/dbraw/zinc/83/71/28/547837128.db2.gz SLVIATURDDFWHL-MSOLQXFVSA-N 1 0 360.454 2.352 20 30 FEEDRO COCCOc1ccc(C#N)cc1NC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000184607592 547853420 /nfs/dbraw/zinc/85/34/20/547853420.db2.gz CURBKWUNFMPGCI-UHFFFAOYSA-N 1 0 358.442 2.332 20 30 FEEDRO C[NH+](C)CCOC1CCN(C(=O)CSCc2ccc(C#N)cc2)CC1 ZINC000485114402 561312905 /nfs/dbraw/zinc/31/29/05/561312905.db2.gz BBHWFHRRFRXZPC-UHFFFAOYSA-N 1 0 361.511 2.361 20 30 FEEDRO CC(C)[C@@H]([NH2+]CCOc1ccc(C#N)cc1)c1nc(-c2nc[nH]n2)no1 ZINC000184865627 547889032 /nfs/dbraw/zinc/88/90/32/547889032.db2.gz NEHPTCRUMNQFSW-CQSZACIVSA-N 1 0 353.386 2.092 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N2CCN([C@H](C)c3nccs3)CC2)CC1 ZINC000184868918 547890726 /nfs/dbraw/zinc/89/07/26/547890726.db2.gz XLSMLOQBMPTXQP-OAHLLOKOSA-N 1 0 363.531 2.182 20 30 FEEDRO C[C@@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)[C@@H]1COc2ccccc21 ZINC000185582819 548005233 /nfs/dbraw/zinc/00/52/33/548005233.db2.gz ISDQJRPMEKMTST-KDOFPFPSSA-N 1 0 356.447 2.486 20 30 FEEDRO COc1cc(C#N)ccc1S(=O)(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000185884493 548052042 /nfs/dbraw/zinc/05/20/42/548052042.db2.gz XGEDLLAYRVJYBX-UHFFFAOYSA-N 1 0 365.499 2.309 20 30 FEEDRO C[C@@H](C#N)Oc1ccccc1NC(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C ZINC000186755557 548186212 /nfs/dbraw/zinc/18/62/12/548186212.db2.gz JNPNYGUCAGUGQZ-GJZGRUSLSA-N 1 0 360.458 2.286 20 30 FEEDRO C#CCOc1ccccc1NC(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000188053859 548270410 /nfs/dbraw/zinc/27/04/10/548270410.db2.gz VDPPDNLHZMTQQK-UHFFFAOYSA-N 1 0 358.486 2.188 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N2CCC(Oc3ccc(F)nc3)CC2)CC1 ZINC000188691632 548285346 /nfs/dbraw/zinc/28/53/46/548285346.db2.gz QCPVZAHBOVHDBB-UHFFFAOYSA-N 1 0 362.449 2.424 20 30 FEEDRO CCC[NH+]1CCC(N(C)C(=O)C(=O)Nc2ccccc2O[C@H](C)C#N)CC1 ZINC000189267822 548299433 /nfs/dbraw/zinc/29/94/33/548299433.db2.gz CLFKWROXEBSSGM-OAHLLOKOSA-N 1 0 372.469 2.249 20 30 FEEDRO C=CCSc1ccccc1NC(=O)CN1CC[N@@H+](C[C@@H](C)O)C[C@H]1C ZINC000189560250 548304757 /nfs/dbraw/zinc/30/47/57/548304757.db2.gz RZKDRKCHTKICQT-HZPDHXFCSA-N 1 0 363.527 2.290 20 30 FEEDRO CC(C)(O)C[N@H+](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)C1CC1 ZINC000189903552 548314120 /nfs/dbraw/zinc/31/41/20/548314120.db2.gz TZELOROVTNPLSJ-UHFFFAOYSA-N 1 0 368.399 2.408 20 30 FEEDRO CCN(CCC#N)C(=O)CNC1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000189955527 548315613 /nfs/dbraw/zinc/31/56/13/548315613.db2.gz AWMMNZZDUBSOII-QZTJIDSGSA-N 1 0 356.514 2.495 20 30 FEEDRO CCn1nccc1N1CCC[C@@H]([NH2+]Cc2ccc(O[C@H](C)C#N)cc2)C1=O ZINC000191642572 548347418 /nfs/dbraw/zinc/34/74/18/548347418.db2.gz PPZWDBIZCHWQRN-CRAIPNDOSA-N 1 0 367.453 2.479 20 30 FEEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000192066468 548357529 /nfs/dbraw/zinc/35/75/29/548357529.db2.gz SWXZTGPKMGYMDO-NILFDRSVSA-N 1 0 351.834 2.160 20 30 FEEDRO N#CCCN(CCC#N)C(=O)C[NH2+][C@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000192128861 548358241 /nfs/dbraw/zinc/35/82/41/548358241.db2.gz VNMBTJHNDZVDJF-WMZOPIPTSA-N 1 0 362.380 2.040 20 30 FEEDRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000487572511 561372137 /nfs/dbraw/zinc/37/21/37/561372137.db2.gz LKDDXMMEEFTEOJ-OLMNPRSZSA-N 1 0 360.889 2.247 20 30 FEEDRO Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3[C@H](C)C[C@H]4CCCC[C@H]43)CC2)o1 ZINC000245458940 548926470 /nfs/dbraw/zinc/92/64/70/548926470.db2.gz VBVDCJIQJQCZRC-QGPMSJSTSA-N 1 0 371.485 2.156 20 30 FEEDRO C=CCc1ccc(OC[C@H](O)CN2CC[N@H+](C)[C@@H](C(C)C)C2)c(OC)c1 ZINC000487995901 561380875 /nfs/dbraw/zinc/38/08/75/561380875.db2.gz BFIVFGZIPXPCLE-RTBURBONSA-N 1 0 362.514 2.435 20 30 FEEDRO N#Cc1cccc(/C=C/C(=O)NC[C@@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)c1 ZINC000245586082 548952739 /nfs/dbraw/zinc/95/27/39/548952739.db2.gz MIQAVCYYQOYODJ-FUCIWNSQSA-N 1 0 361.445 2.323 20 30 FEEDRO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCCC[C@H]2C(=O)N2CCOCC2)cc1 ZINC000245714105 548981225 /nfs/dbraw/zinc/98/12/25/548981225.db2.gz GPEDIHMMSIIKHG-LPHOPBHVSA-N 1 0 357.454 2.191 20 30 FEEDRO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCS[C@@H]3CCCC[C@@H]32)CC1 ZINC000245988148 549032030 /nfs/dbraw/zinc/03/20/30/549032030.db2.gz HPVGNGJDZVZFJE-OKZBNKHCSA-N 1 0 364.559 2.039 20 30 FEEDRO CNC(=O)[C@@H](C)C[N@H+](C)CC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000246122766 549057736 /nfs/dbraw/zinc/05/77/36/549057736.db2.gz DFKBFVHCEZDKNI-KBPBESRZSA-N 1 0 362.499 2.333 20 30 FEEDRO C[N@H+](CCC(=O)Nc1sccc1C#N)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000246134815 549060779 /nfs/dbraw/zinc/06/07/79/549060779.db2.gz MVODRSQEMIDXTA-ZIAGYGMSSA-N 1 0 369.512 2.236 20 30 FEEDRO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000246248509 549088461 /nfs/dbraw/zinc/08/84/61/549088461.db2.gz KVNWMXPIMNEGKG-IEBWSBKVSA-N 1 0 356.470 2.159 20 30 FEEDRO COC(=O)[C@@]1(C)CC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1 ZINC000246439100 549133754 /nfs/dbraw/zinc/13/37/54/549133754.db2.gz KTWINEWCNGNQRE-LIRRHRJNSA-N 1 0 361.417 2.346 20 30 FEEDRO CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)Nc2ccc(CC#N)cc2)CC1=O ZINC000246554923 549161271 /nfs/dbraw/zinc/16/12/71/549161271.db2.gz YPYHNTUFIGNXRQ-WMZOPIPTSA-N 1 0 354.454 2.024 20 30 FEEDRO CCOc1ccccc1OCCN1CCN(c2nccnc2C#N)C[C@H]1C ZINC000246736988 549200021 /nfs/dbraw/zinc/20/00/21/549200021.db2.gz AUTJAAAJUDVLHN-MRXNPFEDSA-N 1 0 367.453 2.336 20 30 FEEDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNS(=O)(=O)c2ccc(F)c(C#N)c2)C1 ZINC000488860955 561398273 /nfs/dbraw/zinc/39/82/73/561398273.db2.gz YCLANHQXQZJZIB-ZIAGYGMSSA-N 1 0 353.463 2.344 20 30 FEEDRO C=CCn1cccc1C(=O)N(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000488894418 561399042 /nfs/dbraw/zinc/39/90/42/561399042.db2.gz CHUFZEXXFWLTHG-OAQYLSRUSA-N 1 0 353.466 2.383 20 30 FEEDRO C=CCn1cccc1C(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000488946222 561400051 /nfs/dbraw/zinc/40/00/51/561400051.db2.gz DANAAXSRFFEBJG-UHFFFAOYSA-N 1 0 372.513 2.128 20 30 FEEDRO C=CCn1c2nnc(SCc3nccn3C)n2c2ccccc2c1=O ZINC000248138927 549410743 /nfs/dbraw/zinc/41/07/43/549410743.db2.gz POSPDSBXWSQWKJ-UHFFFAOYSA-N 1 0 352.423 2.256 20 30 FEEDRO COCCOc1ccc(C#N)cc1NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000248465699 549446613 /nfs/dbraw/zinc/44/66/13/549446613.db2.gz ZNKFLEYHROHXQM-CVEARBPZSA-N 1 0 358.442 2.284 20 30 FEEDRO COC(=O)CC1([NH2+]Cc2ccc(C#N)cc2OC(F)F)CCOCC1 ZINC000489970097 561423693 /nfs/dbraw/zinc/42/36/93/561423693.db2.gz ZJMKCZSXWCTYQW-UHFFFAOYSA-N 1 0 354.353 2.362 20 30 FEEDRO CC[S@](=O)[C@@H]1CCC[C@H](NC(NCc2cn3ccccc3n2)=[NH+]C)C1 ZINC000261870953 549763889 /nfs/dbraw/zinc/76/38/89/549763889.db2.gz ZPLBCWKPMIVVJH-JCIOZEIESA-N 1 0 361.515 2.079 20 30 FEEDRO COc1cccc(NC(=[NH2+])NCC(=O)N[C@@H]2CCOc3ccccc32)c1 ZINC000261902275 549767769 /nfs/dbraw/zinc/76/77/69/549767769.db2.gz WXFCRWJVCMZUNQ-MRXNPFEDSA-N 1 0 354.410 2.062 20 30 FEEDRO C[NH+]=C(NCc1cn2ccc(C)cc2n1)N1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000261952160 549773709 /nfs/dbraw/zinc/77/37/09/549773709.db2.gz HTGHSNLTPXZFHQ-AEFFLSMTSA-N 1 0 365.485 2.498 20 30 FEEDRO [NH2+]=C(NCc1cccc(C(F)(F)F)c1)NC[C@H]1COC2(CCOCC2)O1 ZINC000262166155 549794572 /nfs/dbraw/zinc/79/45/72/549794572.db2.gz OPCXADGJHIZHNP-AWEZNQCLSA-N 1 0 373.375 2.032 20 30 FEEDRO CC1(CNS(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)CC[NH2+]CC1 ZINC000262324953 549811080 /nfs/dbraw/zinc/81/10/80/549811080.db2.gz QXBPWAOGQZAHDS-UHFFFAOYSA-N 1 0 361.389 2.245 20 30 FEEDRO CC(C)[NH+]=C(NC[C@H]1CCS(=O)(=O)C1)N1CC[C@H](c2ccccc2)C1 ZINC000262438025 549820092 /nfs/dbraw/zinc/82/00/92/549820092.db2.gz UDPAPMCZOPGEHQ-AEFFLSMTSA-N 1 0 363.527 2.265 20 30 FEEDRO C[NH+]=C(NCc1nnc2n1CCC2)N1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000262464790 549821677 /nfs/dbraw/zinc/82/16/77/549821677.db2.gz NJMFMYGHBTYCSZ-OAHLLOKOSA-N 1 0 356.449 2.003 20 30 FEEDRO C[NH+]=C(NCc1nc(C)cs1)N[C@@H]1CCN(c2cccc(OC)c2)C1 ZINC000262728766 549843693 /nfs/dbraw/zinc/84/36/93/549843693.db2.gz AZKZYEQUSXMZAT-CQSZACIVSA-N 1 0 359.499 2.404 20 30 FEEDRO CC[NH+]=C(NC[C@@H]1CCc2nnc(C)n2C1)N[C@H]1CCOc2ccccc21 ZINC000262805202 549851709 /nfs/dbraw/zinc/85/17/09/549851709.db2.gz SAICQBTWQNSODA-RDJZCZTQSA-N 1 0 368.485 2.228 20 30 FEEDRO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2S(=O)(=O)c1ccc(C#N)nc1 ZINC000263647053 549912367 /nfs/dbraw/zinc/91/23/67/549912367.db2.gz AKZYLPJSRHEHOW-IEBWSBKVSA-N 1 0 368.462 2.258 20 30 FEEDRO COc1ccc(CCNC(=[NH2+])NCc2ccc(N(C)C)cc2)cc1OC ZINC000264104562 549979617 /nfs/dbraw/zinc/97/96/17/549979617.db2.gz NLVUYBQZJPSECT-UHFFFAOYSA-N 1 0 356.470 2.417 20 30 FEEDRO CCNC(=O)c1ccc(CNC(=[NH2+])NCc2ccc(OC)c(OC)c2)cc1 ZINC000264133083 549983360 /nfs/dbraw/zinc/98/33/60/549983360.db2.gz UNJTWNLVEHHPNW-UHFFFAOYSA-N 1 0 370.453 2.058 20 30 FEEDRO C=CCNC(=[NH2+])NC[C@@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1 ZINC000264290975 549994008 /nfs/dbraw/zinc/99/40/08/549994008.db2.gz PSYZINFNJFQOCO-HNNXBMFYSA-N 1 0 356.392 2.169 20 30 FEEDRO N#CCOc1ccc(CNC(=O)NCC2([NH+]3CCCC3)CCOCC2)cc1 ZINC000264330610 549994519 /nfs/dbraw/zinc/99/45/19/549994519.db2.gz WKRFGFRGMOKHJD-UHFFFAOYSA-N 1 0 372.469 2.033 20 30 FEEDRO CC[NH+](CC)[C@@H](CNS(=O)(=O)CCCC#N)c1cccc(OC)c1 ZINC000264742629 550000765 /nfs/dbraw/zinc/00/07/65/550000765.db2.gz SLLKTPGLRJIPPA-KRWDZBQOSA-N 1 0 353.488 2.301 20 30 FEEDRO N#CCCN(CCC#N)C(=O)C[N@@H+](CCCO)[C@H]1CCc2ccccc21 ZINC000265041396 550005214 /nfs/dbraw/zinc/00/52/14/550005214.db2.gz NIDASMIFYIMUQC-IBGZPJMESA-N 1 0 354.454 2.014 20 30 FEEDRO C[NH+](C)CC[C@@H](NC(=O)C(=O)Nc1cccc(OCC#N)c1)C(C)(C)C ZINC000265281867 550008050 /nfs/dbraw/zinc/00/80/50/550008050.db2.gz PAMTTYQCAXXTDZ-MRXNPFEDSA-N 1 0 360.458 2.010 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)NC[C@@H]1CCc2nnc(C)n2C1)C(C)C ZINC000265460921 550010078 /nfs/dbraw/zinc/01/00/78/550010078.db2.gz VSMQIXNJFAYIKZ-ROUUACIJSA-N 1 0 374.533 2.147 20 30 FEEDRO N#CCOc1cccc(NC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000265801608 550014026 /nfs/dbraw/zinc/01/40/26/550014026.db2.gz NLJLUOZEXHERNJ-QGZVFWFLSA-N 1 0 370.453 2.004 20 30 FEEDRO C[NH+](C)CCOc1ccc(CCNC(=O)Nc2ccn(CCC#N)n2)cc1 ZINC000266466045 550020826 /nfs/dbraw/zinc/02/08/26/550020826.db2.gz UWWKGZPAKMSPAY-UHFFFAOYSA-N 1 0 370.457 2.101 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cccc3ccc(C)nc32)CC1 ZINC000266767319 550023993 /nfs/dbraw/zinc/02/39/93/550023993.db2.gz UPMSSJHNCLAQTN-UHFFFAOYSA-N 1 0 352.438 2.248 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)NCCc2nc(-c3ccncc3)cs2)CC1 ZINC000266972360 550025875 /nfs/dbraw/zinc/02/58/75/550025875.db2.gz OVDMCZNXNIXPEN-UHFFFAOYSA-N 1 0 354.479 2.209 20 30 FEEDRO CCOc1ccccc1NC(=O)CON=C(N)c1ccc(C[NH+](C)C)cc1 ZINC000267006833 550026860 /nfs/dbraw/zinc/02/68/60/550026860.db2.gz KEQLPBOATVJWKN-UHFFFAOYSA-N 1 0 370.453 2.423 20 30 FEEDRO CCC[N@H+](CC)CCNC(=O)C(=O)Nc1cccc(OCCCC#N)c1 ZINC000267042032 550027365 /nfs/dbraw/zinc/02/73/65/550027365.db2.gz JWZZZOTXKAHPMH-UHFFFAOYSA-N 1 0 360.458 2.156 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N2CCC[C@H](c3noc(C4CC4)n3)C2)CC1 ZINC000268067224 550037455 /nfs/dbraw/zinc/03/74/55/550037455.db2.gz VLTYBCXOQWJVMS-HNNXBMFYSA-N 1 0 359.474 2.486 20 30 FEEDRO C=CCc1ccc(OC[C@@H](O)C[N@H+](CCO)Cc2cccnc2)c(OC)c1 ZINC000268689840 550104577 /nfs/dbraw/zinc/10/45/77/550104577.db2.gz ORXMZTWJMGRUGF-IBGZPJMESA-N 1 0 372.465 2.053 20 30 FEEDRO CC(C)[NH+]1CCC(N2CCN(C(=O)NCC#Cc3ccccc3)CC2)CC1 ZINC000269316752 550180554 /nfs/dbraw/zinc/18/05/54/550180554.db2.gz HRHBLKDCRBZNOE-UHFFFAOYSA-N 1 0 368.525 2.238 20 30 FEEDRO CC(C)[C@@H](CNC(=O)NC1(c2cccc(C#N)c2)CC1)N1CCOCC1 ZINC000269620879 550211655 /nfs/dbraw/zinc/21/16/55/550211655.db2.gz CTDRINSPBXCKHI-GOSISDBHSA-N 1 0 356.470 2.203 20 30 FEEDRO N#Cc1cccc(OCCCCC(=O)NCCCC[N@H+]2CCC[C@H]2CO)c1 ZINC000270666589 550294977 /nfs/dbraw/zinc/29/49/77/550294977.db2.gz OGBFYNNPRRMQKH-IBGZPJMESA-N 1 0 373.497 2.460 20 30 FEEDRO N#CCc1cccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)c1 ZINC000270862207 550314699 /nfs/dbraw/zinc/31/46/99/550314699.db2.gz NEAOGIQLCXOUPE-NHCUHLMSSA-N 1 0 363.461 2.365 20 30 FEEDRO C[C@H](C[NH+]1CCOCC1)C(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000271142286 550344607 /nfs/dbraw/zinc/34/46/07/550344607.db2.gz SLOZAWVRTBVGFZ-CQSZACIVSA-N 1 0 354.372 2.141 20 30 FEEDRO Cc1cc(NC(=O)NCc2cccc(OCC[NH+](C)C)c2)nn1CCC#N ZINC000272056042 550419380 /nfs/dbraw/zinc/41/93/80/550419380.db2.gz IBSVHXYNOFLELV-UHFFFAOYSA-N 1 0 370.457 2.367 20 30 FEEDRO [NH2+]=C(NCc1cccc(C(F)(F)F)c1)NC[C@@H]1CC(=O)N(C2CC2)C1 ZINC000272376819 550441922 /nfs/dbraw/zinc/44/19/22/550441922.db2.gz IGPVUCFUGRLHON-LBPRGKRZSA-N 1 0 354.376 2.121 20 30 FEEDRO CCCNC(=O)C[C@H](C(N)=O)[N@H+](CCC)Cc1ccccc1C(C)(C)C#N ZINC000272779160 550470345 /nfs/dbraw/zinc/47/03/45/550470345.db2.gz XTVGIXZAXHXILE-GOSISDBHSA-N 1 0 372.513 2.470 20 30 FEEDRO CN(C(=[NH2+])NC[C@@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1)C1CC1 ZINC000272884339 550475275 /nfs/dbraw/zinc/47/52/75/550475275.db2.gz AIUGTDIOCRTTHI-INIZCTEOSA-N 1 0 370.419 2.488 20 30 FEEDRO C=CCc1cc(C[NH2+]CCCOCCOCCOC)cc(OC)c1O ZINC000274399056 550536076 /nfs/dbraw/zinc/53/60/76/550536076.db2.gz MLLOABCYDYRSHE-UHFFFAOYSA-N 1 0 353.459 2.289 20 30 FEEDRO C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@H](C)c1ccc(OCC(=O)OC)cc1 ZINC000274439209 550537664 /nfs/dbraw/zinc/53/76/64/550537664.db2.gz IKWPDJDMBVSAIR-CVEARBPZSA-N 1 0 360.454 2.478 20 30 FEEDRO C=CCCCC[NH2+]Cc1ccc(OCC(=O)N2CCOCC2)c(OC)c1 ZINC000274575651 550544622 /nfs/dbraw/zinc/54/46/22/550544622.db2.gz JQXZAPOQCCWWOF-UHFFFAOYSA-N 1 0 362.470 2.379 20 30 FEEDRO CCN(C[C@H](C)C#N)C(=O)CN[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000274796777 550555021 /nfs/dbraw/zinc/55/50/21/550555021.db2.gz DKPZWCWDUYHVKD-WSTZPKSXSA-N 1 0 356.514 2.495 20 30 FEEDRO C[C@H](C#N)CN(C)C(=O)C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000275734611 550574029 /nfs/dbraw/zinc/57/40/29/550574029.db2.gz VGJOAWPIHZHPSM-JKSUJKDBSA-N 1 0 356.470 2.475 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@@H](N2CCCC2=O)C1)C(C)C ZINC000276661626 550582835 /nfs/dbraw/zinc/58/28/35/550582835.db2.gz QLXWSPQHQDFRCO-QZTJIDSGSA-N 1 0 362.518 2.091 20 30 FEEDRO [NH2+]=C(NCC1(N2CCOCC2)CC1)Nc1ccc(OC(F)(F)F)cc1 ZINC000277551120 550683494 /nfs/dbraw/zinc/68/34/94/550683494.db2.gz QPKITAHETLCOTL-UHFFFAOYSA-N 1 0 358.364 2.177 20 30 FEEDRO Cc1cc(S(=O)(=O)NC2CC[NH+](CCOC(C)C)CC2)ccc1C#N ZINC000277980854 550735501 /nfs/dbraw/zinc/73/55/01/550735501.db2.gz MDPXAFLTQJJQPY-UHFFFAOYSA-N 1 0 365.499 2.034 20 30 FEEDRO NC(=NOCc1nnc2n1CCCC2)c1cccc(C[NH+]2CCCCC2)c1 ZINC000278206435 550760667 /nfs/dbraw/zinc/76/06/67/550760667.db2.gz GIYKOGUDSUJZRZ-UHFFFAOYSA-N 1 0 368.485 2.437 20 30 FEEDRO C=CCOc1ccc(C[N@H+]2C[C@H](CO)C[C@H](OCCOC)C2)cc1OC ZINC000278647737 550807664 /nfs/dbraw/zinc/80/76/64/550807664.db2.gz JNGAYBZKMCIJJE-MSOLQXFVSA-N 1 0 365.470 2.106 20 30 FEEDRO CC1(C)COCCN1CC[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000278673394 550809989 /nfs/dbraw/zinc/80/99/89/550809989.db2.gz OJVVQDDXAQKIDF-UHFFFAOYSA-N 1 0 368.485 2.059 20 30 FEEDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)CSc1ccc(C#N)cc1 ZINC000278847704 550828494 /nfs/dbraw/zinc/82/84/94/550828494.db2.gz LRKHVIYSBFPVQO-HNNXBMFYSA-N 1 0 359.495 2.362 20 30 FEEDRO N#Cc1c(NC(=O)CC[N@@H+]2CC[C@@]3(CNC(=O)C3)C2)sc2c1CCCC2 ZINC000278919339 550836183 /nfs/dbraw/zinc/83/61/83/550836183.db2.gz RIMJQXGAZUWDEK-LJQANCHMSA-N 1 0 372.494 2.039 20 30 FEEDRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000278982974 550843223 /nfs/dbraw/zinc/84/32/23/550843223.db2.gz ZKHWDZNWUZQYJR-CQSZACIVSA-N 1 0 359.474 2.044 20 30 FEEDRO C#CCn1ccc(CN(CC)C(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)n1 ZINC000279206341 550864967 /nfs/dbraw/zinc/86/49/67/550864967.db2.gz JYPCRDFSGMTWCU-IBGZPJMESA-N 1 0 371.460 2.490 20 30 FEEDRO N#CCCN(CCC#N)C(=O)C[N@@H+](Cc1ccc(F)cc1)C1CCOCC1 ZINC000279304367 550875487 /nfs/dbraw/zinc/87/54/87/550875487.db2.gz QQKLVOSBPCEEAF-UHFFFAOYSA-N 1 0 372.444 2.463 20 30 FEEDRO CCOCCO[C@H]1CC[N@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000279357973 550881068 /nfs/dbraw/zinc/88/10/68/550881068.db2.gz GXRMMAOGKATLIM-IBGZPJMESA-N 1 0 369.469 2.486 20 30 FEEDRO COc1ccc(C[NH2+]CC2(S(C)(=O)=O)CC2)cc1OCCCC#N ZINC000279603251 550907704 /nfs/dbraw/zinc/90/77/04/550907704.db2.gz DTNNZTBTRJPHMQ-UHFFFAOYSA-N 1 0 352.456 2.045 20 30 FEEDRO C#CCn1ccc(CN(CC)C(=O)NC[C@@H]2CCC[N@H+](CC(C)C)C2)n1 ZINC000279610221 550908327 /nfs/dbraw/zinc/90/83/27/550908327.db2.gz WVWNGFUJIKOVGT-SFHVURJKSA-N 1 0 359.518 2.416 20 30 FEEDRO Cc1nc(C#N)c(N2CCC(C(=O)N3CCC[C@@H]4C[N@H+](C)CC[C@H]43)CC2)o1 ZINC000280056639 550956864 /nfs/dbraw/zinc/95/68/64/550956864.db2.gz WOBAZNDWTZYXNB-SJLPKXTDSA-N 1 0 371.485 2.014 20 30 FEEDRO COC(=O)[C@@H]1C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C[C@H]1C ZINC000280216561 550972251 /nfs/dbraw/zinc/97/22/51/550972251.db2.gz ABPWDBFMBLYADG-BXUZGUMPSA-N 1 0 361.467 2.178 20 30 FEEDRO C=CCCCNC(=O)C(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000280403987 550990013 /nfs/dbraw/zinc/99/00/13/550990013.db2.gz HIDBJHYAWYLQBN-UHFFFAOYSA-N 1 0 370.497 2.240 20 30 FEEDRO Cc1cc(N(CCC#N)C(=O)C[N@@H+]2CC[C@](C)(C(N)=O)C2)ccc1Cl ZINC000280816006 551035160 /nfs/dbraw/zinc/03/51/60/551035160.db2.gz UJEBVBTVDAQBHJ-SFHVURJKSA-N 1 0 362.861 2.092 20 30 FEEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(C(N)=S)cc1 ZINC000281171012 551070352 /nfs/dbraw/zinc/07/03/52/551070352.db2.gz IVPPXYVOLGFZMV-UHFFFAOYSA-N 1 0 366.490 2.396 20 30 FEEDRO C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000281311879 551083584 /nfs/dbraw/zinc/08/35/84/551083584.db2.gz ILFJASLFTCUFDL-VQTJNVASSA-N 1 0 357.498 2.145 20 30 FEEDRO C=CCN1CC[C@@H]([N@@H+](C)CCC(=O)Nc2ccc(OC)c(Cl)c2)C1=O ZINC000281382166 551090441 /nfs/dbraw/zinc/09/04/41/551090441.db2.gz PGEPIPJUYAREMT-OAHLLOKOSA-N 1 0 365.861 2.396 20 30 FEEDRO C=CC[C@@H](CC)NC(=O)C(=O)Nc1ccc(CN2CC[NH+](CC)CC2)cc1 ZINC000281522494 551108440 /nfs/dbraw/zinc/10/84/40/551108440.db2.gz SMBLUSRAIUUWMT-GOSISDBHSA-N 1 0 372.513 2.234 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCC[C@@H]2[C@H]2CCCC[C@@H]2O)cc1 ZINC000281534161 551109860 /nfs/dbraw/zinc/10/98/60/551109860.db2.gz WKRRNYDAOVGVLV-QRVBRYPASA-N 1 0 362.495 2.347 20 30 FEEDRO CCCCNC(=O)[C@@H]1CCC[N@@H+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000497397819 561500004 /nfs/dbraw/zinc/50/00/04/561500004.db2.gz VDUSDALLVLEEHD-GPMSIDNRSA-N 1 0 350.507 2.058 20 30 FEEDRO C[N@H+](CCC(=O)Nc1ccccc1C#N)CC(=O)NCc1cccs1 ZINC000497390372 561500111 /nfs/dbraw/zinc/50/01/11/561500111.db2.gz QQGXVNQCHBHMNV-UHFFFAOYSA-N 1 0 356.451 2.197 20 30 FEEDRO CCOC(=O)c1n[nH]c(C2CC[NH+](Cc3ccc(C#N)c(OC)c3)CC2)n1 ZINC000282214016 551196236 /nfs/dbraw/zinc/19/62/36/551196236.db2.gz HMKHPVOXPGLLKM-UHFFFAOYSA-N 1 0 369.425 2.241 20 30 FEEDRO C=CCn1c(C(=O)N2CCCC2)nnc1N1CC[NH+](C2CCCCC2)CC1 ZINC000282216939 551196565 /nfs/dbraw/zinc/19/65/65/551196565.db2.gz IHYXBXITZGGAPP-UHFFFAOYSA-N 1 0 372.517 2.155 20 30 FEEDRO C=CCn1c(-c2ccccn2)nnc1N1CC[NH+](CCOC(C)C)CC1 ZINC000282280491 551205335 /nfs/dbraw/zinc/20/53/35/551205335.db2.gz MYQHHYMMSWFWGA-UHFFFAOYSA-N 1 0 356.474 2.073 20 30 FEEDRO C=CCn1c(-c2ccccc2)nnc1N1CC[C@H](CN2CCOCC2)C1 ZINC000282302706 551208978 /nfs/dbraw/zinc/20/89/78/551208978.db2.gz OUZQVKLPCXGPBJ-QGZVFWFLSA-N 1 0 353.470 2.290 20 30 FEEDRO C[N@@H+]1CC[C@@H]2CCN(S(=O)(=O)c3ccc(C(F)(F)F)c(C#N)c3)[C@@H]2C1 ZINC000282349318 551215342 /nfs/dbraw/zinc/21/53/42/551215342.db2.gz PEULDMKIRVZPTR-IAQYHMDHSA-N 1 0 373.400 2.292 20 30 FEEDRO C=CCn1c(-c2ccc[nH]2)nnc1N1CC[NH+](CC2CCOCC2)CC1 ZINC000282514810 551240172 /nfs/dbraw/zinc/24/01/72/551240172.db2.gz FYUNSZKBCFIHJF-UHFFFAOYSA-N 1 0 356.474 2.008 20 30 FEEDRO C#CCN1CCN(c2nnc(-c3cccnc3)n2Cc2cccs2)CC1 ZINC000282884541 551281516 /nfs/dbraw/zinc/28/15/16/551281516.db2.gz DUBFGKIAUNDLHB-UHFFFAOYSA-N 1 0 364.478 2.205 20 30 FEEDRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N[C@H](C)c2ccc(C#N)cc2)C1 ZINC000283913400 551448917 /nfs/dbraw/zinc/44/89/17/551448917.db2.gz IQINYNMNPYDAKH-AEFFLSMTSA-N 1 0 370.497 2.220 20 30 FEEDRO C[N@@H+]1CCN(C[C@@H](O)COc2ccc(C#N)cc2)C[C@H]1Cc1ccccc1 ZINC000283992909 551463804 /nfs/dbraw/zinc/46/38/04/551463804.db2.gz DECKJOXSNPWHJV-NHCUHLMSSA-N 1 0 365.477 2.157 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CCCc3ccccc32)CC1 ZINC000284093370 551482192 /nfs/dbraw/zinc/48/21/92/551482192.db2.gz MKHDZCQLNNTSHL-GOSISDBHSA-N 1 0 369.509 2.379 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N[C@@H](CC)c1ccncc1)C(C)C ZINC000284179642 551499179 /nfs/dbraw/zinc/49/91/79/551499179.db2.gz UWRGCDZORKJKFW-OALUTQOASA-N 1 0 372.513 2.464 20 30 FEEDRO CC(C)(C)[C@@H](O)C[C@H](CO)[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000284343599 551528395 /nfs/dbraw/zinc/52/83/95/551528395.db2.gz MYOWPXBHSMWAOX-UXHICEINSA-N 1 0 359.514 2.270 20 30 FEEDRO CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000284412897 551543926 /nfs/dbraw/zinc/54/39/26/551543926.db2.gz XJUMOGKDKLYUJG-UHOSZYNNSA-N 1 0 364.440 2.354 20 30 FEEDRO C[C@@H]1CCC[N@H+](CCCCNC(=O)C(=O)N(C)Cc2ccc(C#N)cc2)C1 ZINC000284644402 551597692 /nfs/dbraw/zinc/59/76/92/551597692.db2.gz MAMSIMODXGPFQC-QGZVFWFLSA-N 1 0 370.497 2.145 20 30 FEEDRO C=CCCCNC(=O)C(=O)NCc1ccccc1OCC[NH+](CC)CC ZINC000285158608 551712356 /nfs/dbraw/zinc/71/23/56/551712356.db2.gz XTKUJNOEKDBZBD-UHFFFAOYSA-N 1 0 361.486 2.106 20 30 FEEDRO N#Cc1ccc(NC(=O)CC[N@@H+]2CCO[C@]3(CCCOC3)C2)cc1Cl ZINC000285296607 551733768 /nfs/dbraw/zinc/73/37/68/551733768.db2.gz KUWZQUJTYIMHPR-GOSISDBHSA-N 1 0 363.845 2.422 20 30 FEEDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000285381338 551746914 /nfs/dbraw/zinc/74/69/14/551746914.db2.gz RRVNOPPWSFJFAA-WCQYABFASA-N 1 0 355.410 2.084 20 30 FEEDRO CN(CCC#N)c1ccc(C[NH2+]C[C@@H](N2CCOCC2)C(F)(F)F)cc1 ZINC000285435870 551756635 /nfs/dbraw/zinc/75/66/35/551756635.db2.gz HSYUMUNVMWGTIG-QGZVFWFLSA-N 1 0 370.419 2.389 20 30 FEEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH2+][C@@H]1CCC[C@H]1CCO ZINC000285585272 551778874 /nfs/dbraw/zinc/77/88/74/551778874.db2.gz BEMOAPPIRYHCST-YESZJQIVSA-N 1 0 359.470 2.471 20 30 FEEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000285926044 551828125 /nfs/dbraw/zinc/82/81/25/551828125.db2.gz TXYFMJFHGBDDFA-CJNGLKHVSA-N 1 0 356.470 2.294 20 30 FEEDRO C[C@H]1C[C@@H](N(C)C(=O)C(=O)NCCCCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000286363157 551878861 /nfs/dbraw/zinc/87/88/61/551878861.db2.gz CNGDKHZVZXXILS-HKUYNNGSSA-N 1 0 370.497 2.308 20 30 FEEDRO C[C@@H]1C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C[C@H]1C(N)=O ZINC000286369346 551879405 /nfs/dbraw/zinc/87/94/05/551879405.db2.gz YRKAZLPWKZFFHK-IUODEOHRSA-N 1 0 374.510 2.270 20 30 FEEDRO N#CCCN(C(=O)CN1CC[C@@H](C(F)(F)F)[C@H](CO)C1)c1ccccc1 ZINC000286403392 551883630 /nfs/dbraw/zinc/88/36/30/551883630.db2.gz HOESWLRHERQJFQ-GOEBONIOSA-N 1 0 369.387 2.426 20 30 FEEDRO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@H]1N2S(=O)(=O)c1ccc(C#N)o1 ZINC000286442950 551885909 /nfs/dbraw/zinc/88/59/09/551885909.db2.gz HZVURXGMMZMNLM-DOTOQJQBSA-N 1 0 357.435 2.456 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@H](Cc3ccccc3)[C@H]2C)CC1 ZINC000286468591 551889226 /nfs/dbraw/zinc/88/92/26/551889226.db2.gz ILXJIGCNUPVIMX-IEBWSBKVSA-N 1 0 369.509 2.233 20 30 FEEDRO CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)[C@@H](C)Oc2ccc(C#N)cc2)C1 ZINC000286581757 551902292 /nfs/dbraw/zinc/90/22/92/551902292.db2.gz ZKVICGOOXASFAS-AYBZRNKSSA-N 1 0 357.454 2.037 20 30 FEEDRO COCC[NH+](CCOC)C1CCN(C(=O)Nc2cc(C#N)ccc2C)CC1 ZINC000287017914 551952340 /nfs/dbraw/zinc/95/23/40/551952340.db2.gz MLDHKZIFVCWZBF-UHFFFAOYSA-N 1 0 374.485 2.458 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCO[C@@]2(CCCOC2)C1)C(C)C ZINC000287032456 551954176 /nfs/dbraw/zinc/95/41/76/551954176.db2.gz HAXZCXAHXODUOU-QUCCMNQESA-N 1 0 365.518 2.276 20 30 FEEDRO C=CCCCNC(=O)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000287175918 551973181 /nfs/dbraw/zinc/97/31/81/551973181.db2.gz DQHKVNIUVFMAOX-YQQQUEKLSA-N 1 0 355.482 2.381 20 30 FEEDRO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC[C@H](C(=O)N2CCCC2)C1 ZINC000287344718 551992138 /nfs/dbraw/zinc/99/21/38/551992138.db2.gz LDKGYSZALMEFNQ-MSOLQXFVSA-N 1 0 368.481 2.266 20 30 FEEDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC000287503151 552012680 /nfs/dbraw/zinc/01/26/80/552012680.db2.gz UPQDNANVOCIGPH-QIIPPGSGSA-N 1 0 356.445 2.123 20 30 FEEDRO C=CCN(Cc1ccccc1)C(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000287740868 552040925 /nfs/dbraw/zinc/04/09/25/552040925.db2.gz DLBTURHOVONDPD-YQQQUEKLSA-N 1 0 355.482 2.333 20 30 FEEDRO CCOC(=O)CC(C)(C)CC[N@@H+]1CCN(c2nccnc2C#N)C[C@H]1C ZINC000287756744 552042711 /nfs/dbraw/zinc/04/27/11/552042711.db2.gz LZGVPRIGOINSSE-OAHLLOKOSA-N 1 0 359.474 2.228 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2CCC(CCC[NH+]3CCCC3)CC2)o1 ZINC000287783767 552046166 /nfs/dbraw/zinc/04/61/66/552046166.db2.gz KPMQDLLXXNFZLZ-UHFFFAOYSA-N 1 0 351.472 2.428 20 30 FEEDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)C(=O)Nc1ccc(Cl)c(C#N)c1 ZINC000288144852 552099280 /nfs/dbraw/zinc/09/92/80/552099280.db2.gz LRMKEMOKXXSIFF-WBMJQRKESA-N 1 0 360.845 2.235 20 30 FEEDRO C=CCN1CC[C@H](N(C)CC(=O)NC[C@@H](c2ccccc2)C(C)C)C1=O ZINC000499994863 561563610 /nfs/dbraw/zinc/56/36/10/561563610.db2.gz HYWINSOUJPXNEM-MOPGFXCFSA-N 1 0 357.498 2.261 20 30 FEEDRO C=CCN1CC[C@@H](N(C)CC(=O)N2CCC(Cc3ccccc3)CC2)C1=O ZINC000499992073 561563662 /nfs/dbraw/zinc/56/36/62/561563662.db2.gz UKMJDVBULMNTPK-HXUWFJFHSA-N 1 0 369.509 2.186 20 30 FEEDRO CC(C)N(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000288924331 552237098 /nfs/dbraw/zinc/23/70/98/552237098.db2.gz MAUQBSOOOLNKEG-MAUKXSAKSA-N 1 0 368.481 2.037 20 30 FEEDRO N#Cc1ccc(CS(=O)(=O)NCC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000289299392 552297330 /nfs/dbraw/zinc/29/73/30/552297330.db2.gz ZHHJLLBNMKCPMP-UHFFFAOYSA-N 1 0 370.478 2.289 20 30 FEEDRO C[C@@H](C(=O)N(C)CCC#N)N1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000289397299 552314325 /nfs/dbraw/zinc/31/43/25/552314325.db2.gz RPZYXBRLKOJBFR-INIZCTEOSA-N 1 0 351.454 2.117 20 30 FEEDRO C=CCn1c(-c2cccnc2)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC000289599342 552347532 /nfs/dbraw/zinc/34/75/32/552347532.db2.gz IOAUBZXNFQJPOB-INIZCTEOSA-N 1 0 368.485 2.216 20 30 FEEDRO C=CCn1c(SC[C@@H](O)C[N@@H+](C)C2CC2)nc2sccc2c1=O ZINC000290499289 552488888 /nfs/dbraw/zinc/48/88/88/552488888.db2.gz ANKHHERHLQEBAL-LBPRGKRZSA-N 1 0 351.497 2.191 20 30 FEEDRO CCCC[NH+]=C(NCCCn1cc(CO)nn1)NCc1ccc(C)cc1 ZINC000290511714 552490483 /nfs/dbraw/zinc/49/04/83/552490483.db2.gz JSIYNFAICKSGSQ-UHFFFAOYSA-N 1 0 358.490 2.004 20 30 FEEDRO CN(CCC[N@H+](C)Cc1ccco1)C(=O)C(=O)Nc1ccc(C#N)c(F)c1 ZINC000290565090 552499119 /nfs/dbraw/zinc/49/91/19/552499119.db2.gz SJWOHDMIZDEJQJ-UHFFFAOYSA-N 1 0 372.400 2.209 20 30 FEEDRO COC[C@H](C)NC(=[NH2+])NCc1cccc(-c2nc(CC(F)(F)F)no2)c1 ZINC000290658534 552514170 /nfs/dbraw/zinc/51/41/70/552514170.db2.gz NRSBJNZWNLTDRM-JTQLQIEISA-N 1 0 371.363 2.281 20 30 FEEDRO C=CCOc1ccc(C(=O)N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)cc1 ZINC000501074309 561589148 /nfs/dbraw/zinc/58/91/48/561589148.db2.gz FAGSSALUNFYOSG-LJQANCHMSA-N 1 0 357.498 2.494 20 30 FEEDRO CC(C)N1CC[NH+](C2CCN(c3ccc(C#N)c([N+](=O)[O-])c3)CC2)CC1 ZINC000290963100 552569427 /nfs/dbraw/zinc/56/94/27/552569427.db2.gz OQDLAWIDIKDOGK-UHFFFAOYSA-N 1 0 357.458 2.461 20 30 FEEDRO C[C@H]([NH2+][C@@H](C)c1ccc(N2CCCNC2=O)cc1)C(=O)N(C)CCC#N ZINC000291195994 552598674 /nfs/dbraw/zinc/59/86/74/552598674.db2.gz JHRGFHDMWKUGRJ-GJZGRUSLSA-N 1 0 357.458 2.017 20 30 FEEDRO C[NH+](C)CCN(Cc1ccco1)S(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000292149783 552698625 /nfs/dbraw/zinc/69/86/25/552698625.db2.gz BUKYDGRUPRIALO-UHFFFAOYSA-N 1 0 351.403 2.043 20 30 FEEDRO CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)C1 ZINC000292158089 552699389 /nfs/dbraw/zinc/69/93/89/552699389.db2.gz KRSDFJQUNURNBE-DNVCBOLYSA-N 1 0 360.433 2.145 20 30 FEEDRO CCCc1cc[n+](C(C(=O)c2cnn(C)n2)C(=S)NC2CCC2)cc1 ZINC000292411831 552724455 /nfs/dbraw/zinc/72/44/55/552724455.db2.gz YSCGUSDLEPVADF-UHFFFAOYSA-O 1 0 358.491 2.136 20 30 FEEDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2cc(C#N)cc(N(C)C)c2)[C@@H](C)C1 ZINC000292839241 552763681 /nfs/dbraw/zinc/76/36/81/552763681.db2.gz VOUBALNFMMGKFW-OXJNMPFZSA-N 1 0 372.513 2.491 20 30 FEEDRO C[N@@H+]1CCC[C@@]2(CCN(S(=O)(=O)c3ccc(C#N)c(Cl)c3)C2)C1 ZINC000292904269 552769827 /nfs/dbraw/zinc/76/98/27/552769827.db2.gz WIOPMBYSSYSWHY-MRXNPFEDSA-N 1 0 353.875 2.318 20 30 FEEDRO CC[NH+](CC)[C@@H](CNC(=O)C(=O)Nc1ccc(C#N)cn1)c1ccsc1 ZINC000293073763 552786221 /nfs/dbraw/zinc/78/62/21/552786221.db2.gz PVYXKVRLTISNMD-HNNXBMFYSA-N 1 0 371.466 2.153 20 30 FEEDRO CC[NH+](CC)[C@@H](CNC(=O)C(=O)Nc1ccc(C#N)cn1)c1ccccc1 ZINC000293086055 552787620 /nfs/dbraw/zinc/78/76/20/552787620.db2.gz QUKBJEGSSKLPOG-KRWDZBQOSA-N 1 0 365.437 2.091 20 30 FEEDRO Cc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)Nc2sccc2C#N)c1 ZINC000293194273 552797859 /nfs/dbraw/zinc/79/78/59/552797859.db2.gz VUOIETOGPJHYBA-UHFFFAOYSA-N 1 0 370.478 2.457 20 30 FEEDRO C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc(SC)c(Cl)c1 ZINC000293322949 552811252 /nfs/dbraw/zinc/81/12/52/552811252.db2.gz IVYSNXRNRHEUKD-UHFFFAOYSA-N 1 0 353.875 2.072 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cccc(SC(F)F)c1 ZINC000293372056 552816822 /nfs/dbraw/zinc/81/68/22/552816822.db2.gz MIPIYHSAEYWICT-UHFFFAOYSA-N 1 0 355.410 2.011 20 30 FEEDRO N#Cc1ccc(NC(=O)C(=O)NC[C@H]2CCC[N@@H+]2CC2CCCCC2)nc1 ZINC000293415549 552821146 /nfs/dbraw/zinc/82/11/46/552821146.db2.gz NOLMLIFSVMUXFM-QGZVFWFLSA-N 1 0 369.469 2.053 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cc(Cl)c(Cl)cc1F ZINC000293493022 552829231 /nfs/dbraw/zinc/82/92/31/552829231.db2.gz WMBYTIBZTLAFHM-UHFFFAOYSA-N 1 0 360.216 2.142 20 30 FEEDRO CS[C@H]1CN(C(=O)c2cc(C#N)cc(N(C)C)c2)C[C@H]1[NH+]1CCCC1 ZINC000293514555 552831590 /nfs/dbraw/zinc/83/15/90/552831590.db2.gz OCHZZEAEBKOWCR-MSOLQXFVSA-N 1 0 358.511 2.276 20 30 FEEDRO N#Cc1ccc(O[C@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C3CCCC3)C2)nc1 ZINC000293734910 552851532 /nfs/dbraw/zinc/85/15/32/552851532.db2.gz NPWGZCONMBZPKE-ZWKOTPCHSA-N 1 0 354.454 2.340 20 30 FEEDRO C[C@H](NC(=O)C(=O)Nc1sccc1C#N)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000293903300 552866602 /nfs/dbraw/zinc/86/66/02/552866602.db2.gz WNMCOCTVIUJLLN-GXTWGEPZSA-N 1 0 360.483 2.327 20 30 FEEDRO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)Cc1ccc(F)cc1C#N ZINC000294243631 552890730 /nfs/dbraw/zinc/89/07/30/552890730.db2.gz PLRYHWPSJUYSFI-DLBZAZTESA-N 1 0 351.447 2.086 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cn(-c3cccc(OC)c3)nn2)CC1 ZINC000294436675 552905994 /nfs/dbraw/zinc/90/59/94/552905994.db2.gz AUDDZFQUZZRNJA-UHFFFAOYSA-N 1 0 355.442 2.046 20 30 FEEDRO CC[C@@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1ccc(C(=O)OC)cc1 ZINC000294709189 552928714 /nfs/dbraw/zinc/92/87/14/552928714.db2.gz JNTPKGZOTSYMKP-BQASMSSTSA-N 1 0 357.410 2.040 20 30 FEEDRO CN(C(=O)C(=O)Nc1sccc1C#N)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000294891866 552941985 /nfs/dbraw/zinc/94/19/85/552941985.db2.gz VKZMEHBTRYRPQP-INIZCTEOSA-N 1 0 368.462 2.291 20 30 FEEDRO CCC[N@H+](CC)Cc1ccc(C(=O)N2CCN(C(=O)CC#N)CC2)cc1 ZINC000294905497 552943064 /nfs/dbraw/zinc/94/30/64/552943064.db2.gz JVTJFTUQMDMPFX-UHFFFAOYSA-N 1 0 356.470 2.117 20 30 FEEDRO CC(C)[NH+]1CCN(c2ccc(C(=O)N(CCC#N)CCC#N)cc2)CC1 ZINC000501895305 561607568 /nfs/dbraw/zinc/60/75/68/561607568.db2.gz YXLZKGGTVNUQML-UHFFFAOYSA-N 1 0 353.470 2.487 20 30 FEEDRO C[C@H](c1cccc(C#N)c1)[N@H+](C)CCN(C)c1ccc(S(N)(=O)=O)cc1 ZINC000295205515 552970027 /nfs/dbraw/zinc/97/00/27/552970027.db2.gz LKQSWGFVHLTZKY-OAHLLOKOSA-N 1 0 372.494 2.335 20 30 FEEDRO Cc1c(C)n(-c2ccccc2)c(NC(=O)CN(C)C(C)(C)C(N)=O)c1C#N ZINC000295749351 553054105 /nfs/dbraw/zinc/05/41/05/553054105.db2.gz QPSBNOLXTMNXQY-UHFFFAOYSA-N 1 0 367.453 2.100 20 30 FEEDRO C#CCCOc1ccc(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)cc1 ZINC000295760201 553055504 /nfs/dbraw/zinc/05/55/04/553055504.db2.gz HQVXRBZRTOUOHS-KRWDZBQOSA-N 1 0 356.466 2.319 20 30 FEEDRO Cn1ccnc1[C@H]1N(C(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)CC1(C)C ZINC000296101672 553104719 /nfs/dbraw/zinc/10/47/19/553104719.db2.gz LJNWGKZEWXPJLL-CQSZACIVSA-N 1 0 371.828 2.493 20 30 FEEDRO C[NH+](C)Cc1ccccc1CNS(=O)(=O)Cc1ccc(F)cc1C#N ZINC000296114365 553106694 /nfs/dbraw/zinc/10/66/94/553106694.db2.gz YAVCAARZVKOMAK-UHFFFAOYSA-N 1 0 361.442 2.379 20 30 FEEDRO CCC[C@H]([NH2+]C(C)C)C(=O)N1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000502553455 561620958 /nfs/dbraw/zinc/62/09/58/561620958.db2.gz HLOUPINLXGCOBT-VHFSOBRXSA-N 1 0 354.454 2.025 20 30 FEEDRO CC(C)Oc1ccc(NC(=O)C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1C#N ZINC000296297560 553136563 /nfs/dbraw/zinc/13/65/63/553136563.db2.gz VOIICGBVLMEDGA-ALOPSCKCSA-N 1 0 370.453 2.025 20 30 FEEDRO COC1CC[NH+](C2(CNC(=O)c3ccc(C#N)c(C)n3)CCCC2)CC1 ZINC000502576021 561621424 /nfs/dbraw/zinc/62/14/24/561621424.db2.gz RJRNFZFPIQOXPB-UHFFFAOYSA-N 1 0 356.470 2.415 20 30 FEEDRO C#CC[N@@H+](C)CCCNC(=O)N[C@@H](C)c1cc(OC)c(OC)cc1F ZINC000296446931 553161141 /nfs/dbraw/zinc/16/11/41/553161141.db2.gz OUBSGKLAQCJQEM-ZDUSSCGKSA-N 1 0 351.422 2.158 20 30 FEEDRO Cc1ccc(NC(=O)C(=O)N[C@H]2CC[C@@H](CC#N)C2)c(OCC[NH+](C)C)c1 ZINC000296462131 553163716 /nfs/dbraw/zinc/16/37/16/553163716.db2.gz ISWAYNFZAYQKDM-HOTGVXAUSA-N 1 0 372.469 2.073 20 30 FEEDRO N#Cc1ccc(O[C@@H]2CCN(C(=O)NC3CC[NH+](C4CCC4)CC3)C2)nc1 ZINC000297154764 553256663 /nfs/dbraw/zinc/25/66/63/553256663.db2.gz UIPYQBHMXOYBRM-GOSISDBHSA-N 1 0 369.469 2.133 20 30 FEEDRO C[C@@H]1CC[N@H+](C)CCN1C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000502977817 561631459 /nfs/dbraw/zinc/63/14/59/561631459.db2.gz BFWPIQZZAJGDNG-WBVHZDCISA-N 1 0 373.476 2.402 20 30 FEEDRO CCNC(=O)[C@@H]([NH2+]CCC(=O)Nc1ccc(C#N)c(Cl)c1)C(C)C ZINC000298094558 553383491 /nfs/dbraw/zinc/38/34/91/553383491.db2.gz IJUAZDJSKAPGAB-INIZCTEOSA-N 1 0 350.850 2.291 20 30 FEEDRO N#Cc1ccc(NC(=O)CC[NH2+][C@@H]2CCC(=O)NC23CCC3)cc1Cl ZINC000298524875 553436083 /nfs/dbraw/zinc/43/60/83/553436083.db2.gz LSSDWTUWEPDWMV-OAHLLOKOSA-N 1 0 360.845 2.331 20 30 FEEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000298632420 553451813 /nfs/dbraw/zinc/45/18/13/553451813.db2.gz USTZLTWEUUJKIW-UHFFFAOYSA-N 1 0 373.497 2.010 20 30 FEEDRO C[C@@H](C#N)CN(C)C(=O)NCCC[N@@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000298654546 553454761 /nfs/dbraw/zinc/45/47/61/553454761.db2.gz CRWKTQIVEKXFFZ-HKUYNNGSSA-N 1 0 357.502 2.166 20 30 FEEDRO COc1cc(C#N)ccc1OCC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000299376126 553555259 /nfs/dbraw/zinc/55/52/59/553555259.db2.gz HVTGINMFNGIOKA-UHFFFAOYSA-N 1 0 357.454 2.423 20 30 FEEDRO C#CCC[NH+]1CCN(CCC(=O)Nc2ccc(Br)cc2)CC1 ZINC000299529182 553576197 /nfs/dbraw/zinc/57/61/97/553576197.db2.gz DOHLAYBRWHAKSC-UHFFFAOYSA-N 1 0 364.287 2.419 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)Nc2ccc(Sc3nncn3C)cc2)CC1 ZINC000299537337 553577574 /nfs/dbraw/zinc/57/75/74/553577574.db2.gz PRNUVTSMUUJUCI-UHFFFAOYSA-N 1 0 355.467 2.250 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)CCn1cc([N+](=O)[O-])nc1C)C(C)C ZINC000299664795 553599449 /nfs/dbraw/zinc/59/94/49/553599449.db2.gz WXIQUDOBOXHTQP-INIZCTEOSA-N 1 0 363.462 2.305 20 30 FEEDRO N#Cc1cc(S(N)(=O)=O)ccc1NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000301210844 553631205 /nfs/dbraw/zinc/63/12/05/553631205.db2.gz VAWOIINQQWONDE-INIZCTEOSA-N 1 0 360.439 2.048 20 30 FEEDRO COc1ccc(CCNC(=[NH2+])NC[C@H]2CC(=O)Nc3ccccc32)cc1 ZINC000304797651 553747395 /nfs/dbraw/zinc/74/73/95/553747395.db2.gz NJNFODALNSBALU-OAHLLOKOSA-N 1 0 352.438 2.268 20 30 FEEDRO Cc1ncc(S(=O)(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1C#N ZINC000312040118 553756017 /nfs/dbraw/zinc/75/60/17/553756017.db2.gz VREZJWFVBLLXNZ-KRWDZBQOSA-N 1 0 370.478 2.062 20 30 FEEDRO COc1ccc(Br)cc1C(=O)NC1(C#N)CC[NH+](C)CC1 ZINC000313693068 553757513 /nfs/dbraw/zinc/75/75/13/553757513.db2.gz ZLBRGKODXQBGIF-UHFFFAOYSA-N 1 0 352.232 2.175 20 30 FEEDRO CN1CCC(CNC(=O)c2cc(F)cc3n[nH]nc32)([NH+]2CCCCC2)CC1 ZINC000328655701 553803189 /nfs/dbraw/zinc/80/31/89/553803189.db2.gz NCNFFPWGEICEKI-UHFFFAOYSA-N 1 0 374.464 2.352 20 30 FEEDRO CC(C)(C(N)=O)N1CCN(C(=O)N[C@@H]2CCCC23CCOCC3)CC1 ZINC000328694969 553808457 /nfs/dbraw/zinc/80/84/57/553808457.db2.gz GGBIMHNJURJWHH-CQSZACIVSA-N 1 0 352.479 2.181 20 30 FEEDRO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCC[C@@H]1[C@H]1COCC[C@@H]1O ZINC000328697681 553808881 /nfs/dbraw/zinc/80/88/81/553808881.db2.gz DRBFSHMKXAKZAF-AFYVEPGGSA-N 1 0 371.481 2.184 20 30 FEEDRO Cc1nc(C#N)c(N2CCC(C(=O)N3CCC4(CCC[N@H+]4C)CC3)CC2)o1 ZINC000328708089 553810166 /nfs/dbraw/zinc/81/01/66/553810166.db2.gz AYDMYBRGENIECG-UHFFFAOYSA-N 1 0 371.485 2.158 20 30 FEEDRO CC(C)C(=O)N1CCC(NC(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)CC1 ZINC000328770835 553819676 /nfs/dbraw/zinc/81/96/76/553819676.db2.gz AIGZBODFPQXOON-KRWDZBQOSA-N 1 0 364.534 2.211 20 30 FEEDRO Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CCC[C@@H]4CCCC[C@@H]43)CC2)o1 ZINC000328777762 553820768 /nfs/dbraw/zinc/82/07/68/553820768.db2.gz DGQWMJUEKUXLKJ-WMZOPIPTSA-N 1 0 371.485 2.158 20 30 FEEDRO C=C(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[NH+](C(C)C)CC1 ZINC000328781427 553821228 /nfs/dbraw/zinc/82/12/28/553821228.db2.gz UUGAJEOMLDRMAB-UHFFFAOYSA-N 1 0 357.506 2.246 20 30 FEEDRO O=C(N[C@@H]1CCCC12CCOCC2)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000328819654 553827327 /nfs/dbraw/zinc/82/73/27/553827327.db2.gz OMAHTXGXIMFOMB-FGTMMUONSA-N 1 0 365.518 2.217 20 30 FEEDRO CC(C)(C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)S(=O)(=O)C1CC1 ZINC000328822461 553827713 /nfs/dbraw/zinc/82/77/13/553827713.db2.gz QSCAOWDBNOPRDQ-HZPDHXFCSA-N 1 0 372.531 2.067 20 30 FEEDRO C[N@@H+]1CCC[C@]2(CCN(CC(=O)NC(=O)Nc3ccc4c(c3)OCO4)C2)C1 ZINC000328861675 553834294 /nfs/dbraw/zinc/83/42/94/553834294.db2.gz LWDBOKZVZQOIFO-IBGZPJMESA-N 1 0 374.441 2.335 20 30 FEEDRO Cn1nccc1[C@H]1[C@H](C(=O)NC2CCC(C[NH+](C)C)CC2)CC(=O)N1C ZINC000328895465 553840207 /nfs/dbraw/zinc/84/02/07/553840207.db2.gz BJSSOLWXIQSSRI-PPPKJHQXSA-N 1 0 361.490 2.016 20 30 FEEDRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C2(c3cc(F)cc(C#N)c3)CC2)C1 ZINC000506013707 561687465 /nfs/dbraw/zinc/68/74/65/561687465.db2.gz YYDFZFALJPOFAB-GOSISDBHSA-N 1 0 359.445 2.202 20 30 FEEDRO CN1C(=O)C[C@@H](NC(=O)N2CCC[N@H+](C)CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000329096670 553879624 /nfs/dbraw/zinc/87/96/24/553879624.db2.gz YHXVZOSMJHVIPS-WBVHZDCISA-N 1 0 364.877 2.163 20 30 FEEDRO CC1(CNC(=O)N2CCC(CC[NH+]3CCOCC3)CC2)CCOCC1 ZINC000329133250 553886498 /nfs/dbraw/zinc/88/64/98/553886498.db2.gz PMLSTUBEHBFJJT-UHFFFAOYSA-N 1 0 353.507 2.151 20 30 FEEDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCOC[C@@H]2[C@@H]2CCC[C@H]2O)C1 ZINC000329134945 553886984 /nfs/dbraw/zinc/88/69/84/553886984.db2.gz QHOAXRVWAQCGGW-XMTFNYHQSA-N 1 0 367.534 2.273 20 30 FEEDRO Cc1noc([C@H](NC(=O)C[N@@H+](C)[C@@H]2CCSC2)C2CCOCC2)n1 ZINC000329141434 553888050 /nfs/dbraw/zinc/88/80/50/553888050.db2.gz UHHYQQYCYVWYME-UKRRQHHQSA-N 1 0 354.476 2.240 20 30 FEEDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCN(c4ccc(C#N)cc4F)C3)[C@H]2C1 ZINC000329172289 553895251 /nfs/dbraw/zinc/89/52/51/553895251.db2.gz AFSJWWAVOFEITA-MDZRGWNJSA-N 1 0 356.445 2.076 20 30 FEEDRO C[C@@]1(NC(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)CCCOC1 ZINC000329174044 553895511 /nfs/dbraw/zinc/89/55/11/553895511.db2.gz LTFHWTIOFSXTFV-GOSISDBHSA-N 1 0 353.507 2.342 20 30 FEEDRO CN1CC[C@H]([NH+]2CCC(NC(=O)[C@@H]3CCOc4ccccc43)CC2)C1=O ZINC000329176092 553896035 /nfs/dbraw/zinc/89/60/35/553896035.db2.gz MJHYSUNVAQAOCK-SJORKVTESA-N 1 0 357.454 2.204 20 30 FEEDRO CN1CC[C@@H]([NH+]2CCC(NC(=O)c3cc(F)cc4cccnc43)CC2)C1=O ZINC000329184416 553897814 /nfs/dbraw/zinc/89/78/14/553897814.db2.gz PEIUACULDHZOOA-QGZVFWFLSA-N 1 0 370.428 2.374 20 30 FEEDRO CN(C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C)C(=O)N[C@H]1CCCOCC1 ZINC000329188812 553898963 /nfs/dbraw/zinc/89/89/63/553898963.db2.gz PLRZXQONXHLDLK-XYJFISCASA-N 1 0 363.506 2.218 20 30 FEEDRO C[NH+](C)C1(CNC(=O)N2CCOC[C@@H]2[C@@H]2CCCO2)CCCCCC1 ZINC000329213682 553903751 /nfs/dbraw/zinc/90/37/51/553903751.db2.gz JVGYDGCLOSVVMY-SJORKVTESA-N 1 0 353.507 2.435 20 30 FEEDRO C[NH+](C)C1(CNC(=O)N2CCO[C@]3(CCCOC3)C2)CCCCCC1 ZINC000329213224 553903793 /nfs/dbraw/zinc/90/37/93/553903793.db2.gz JCESJPNUJJULEM-LJQANCHMSA-N 1 0 353.507 2.436 20 30 FEEDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)N[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000329242448 553909447 /nfs/dbraw/zinc/90/94/47/553909447.db2.gz OIBIFKUEAYPUBA-SOLBZPMBSA-N 1 0 356.470 2.265 20 30 FEEDRO Cn1nccc1[C@H]1[C@H](NC(=O)CC[C@@H]2CCCC[N@@H+]2C)CC(=O)N1C1CC1 ZINC000329287780 553918329 /nfs/dbraw/zinc/91/83/29/553918329.db2.gz HLKBVMIFZZSZTA-YYFZDKIDSA-N 1 0 373.501 2.446 20 30 FEEDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)N[C@@H]3CCN(c4ncccc4Cl)C3)[C@@H]2C1 ZINC000329296264 553919885 /nfs/dbraw/zinc/91/98/85/553919885.db2.gz STZPWTDYSNWWOH-IIAWOOMASA-N 1 0 363.893 2.254 20 30 FEEDRO CC(C)c1nnc2n1C[C@H]([NH+]=C([O-])N(C)C1C[C@H]3CC[C@@H](C1)[N@H+]3C)CC2 ZINC000329319484 553924731 /nfs/dbraw/zinc/92/47/31/553924731.db2.gz DRKPMPANXDGMNX-JZWPEALZSA-N 1 0 360.506 2.187 20 30 FEEDRO CC(C)[C@@H](C(=O)NCC(C)(C)N1CCS(=O)CC1)[NH+]1CCCCC1 ZINC000329322411 553925436 /nfs/dbraw/zinc/92/54/36/553925436.db2.gz USQAEVGZVXIHRZ-INIZCTEOSA-N 1 0 357.564 2.296 20 30 FEEDRO CCn1ccnc1[C@H](NC(=O)N1CCC[C@@](C)(O)C1)C1CCOCC1 ZINC000329345804 553929584 /nfs/dbraw/zinc/92/95/84/553929584.db2.gz RBFGVWMVUGZXBI-CRAIPNDOSA-N 1 0 350.463 2.132 20 30 FEEDRO C[NH+]1CCC(C)(CNC(=O)c2cccc(N3CCCS3(=O)=O)c2)CC1 ZINC000329349420 553929609 /nfs/dbraw/zinc/92/96/09/553929609.db2.gz SQKFTJIBKMSJDT-UHFFFAOYSA-N 1 0 365.499 2.263 20 30 FEEDRO Cc1cc(NC(=O)NC[C@@H]2C[N@H+](C)CCN2C)cnc1N1CCCC[C@H]1C ZINC000329355197 553930479 /nfs/dbraw/zinc/93/04/79/553930479.db2.gz VPSPHUDCTDKMCQ-SJLPKXTDSA-N 1 0 374.533 2.341 20 30 FEEDRO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000329354881 553930625 /nfs/dbraw/zinc/93/06/25/553930625.db2.gz FKKIUOVEJNGFGQ-DJIMGWMZSA-N 1 0 371.547 2.458 20 30 FEEDRO CC(C)[C@H](NC(=O)c1ccccn1)C(=O)N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000329385947 553935903 /nfs/dbraw/zinc/93/59/03/553935903.db2.gz PMOQYAWCNKFCJN-NUJGCVRESA-N 1 0 358.486 2.496 20 30 FEEDRO C[N@@H+]1CC[C@H]2CCN(C(=O)Nc3cccc(C(=O)N4CCCC4)c3)[C@@H]2C1 ZINC000329423210 553943806 /nfs/dbraw/zinc/94/38/06/553943806.db2.gz HSEWDRTZBIOOLE-MAUKXSAKSA-N 1 0 356.470 2.494 20 30 FEEDRO CN(C(=O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1)[C@H]1C[NH+]2CCC1CC2 ZINC000329426964 553944141 /nfs/dbraw/zinc/94/41/41/553944141.db2.gz GPWZDVQQAQDFRB-HKUYNNGSSA-N 1 0 370.497 2.497 20 30 FEEDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CC[C@H](NC(=O)NC3CC3)C2)C1 ZINC000329442113 553947688 /nfs/dbraw/zinc/94/76/88/553947688.db2.gz BMYRWDXKRMRLED-ZBFHGGJFSA-N 1 0 365.522 2.151 20 30 FEEDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@@H]1CCCN(c2ccc(C)nn2)C1 ZINC000329553799 553966306 /nfs/dbraw/zinc/96/63/06/553966306.db2.gz DHXONYQNOKESTJ-IAGOWNOFSA-N 1 0 360.506 2.132 20 30 FEEDRO N#Cc1ccc(N2CCC(C(=O)N[C@H]3CC[N@@H+](C4CC4)C3)CC2)c(F)c1 ZINC000506850724 561709994 /nfs/dbraw/zinc/70/99/94/561709994.db2.gz IGXPZKSPTSAECA-INIZCTEOSA-N 1 0 356.445 2.267 20 30 FEEDRO CS[C@H]1CN(CC(=O)N(C)C2(C#N)CCCCC2)C[C@@H]1[NH+]1CCCC1 ZINC000329617183 553977090 /nfs/dbraw/zinc/97/70/90/553977090.db2.gz QBISQLOKYYXHKF-IRXDYDNUSA-N 1 0 364.559 2.183 20 30 FEEDRO CC[NH+]1CCC(NC(=O)Nc2ccc(F)c(-n3nnnc3C3CC3)c2)CC1 ZINC000329653310 553982730 /nfs/dbraw/zinc/98/27/30/553982730.db2.gz LFPNARJOAYGBBG-UHFFFAOYSA-N 1 0 373.436 2.489 20 30 FEEDRO CC1CC[NH+](Cc2cccc(CNC(=O)CN3CCN(C)C(=O)C3)c2)CC1 ZINC000329701041 553991735 /nfs/dbraw/zinc/99/17/35/553991735.db2.gz HEUPFGOJSGDYMU-UHFFFAOYSA-N 1 0 372.513 2.149 20 30 FEEDRO C[C@@H]1CN(C(=O)N[C@@H]2CCC(=O)N[C@H]2C(C)(C)C)CC[N@@H+]1CC(C)(C)O ZINC000329713840 553993721 /nfs/dbraw/zinc/99/37/21/553993721.db2.gz SBVVEFNTTSAHTB-IIAWOOMASA-N 1 0 368.522 2.211 20 30 FEEDRO COCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2c2ncccn2)C1 ZINC000329722381 553995443 /nfs/dbraw/zinc/99/54/43/553995443.db2.gz FGMQDXGQZRJXTO-XSLAGTTESA-N 1 0 373.501 2.291 20 30 FEEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCC(=O)N[C@@H]2[C@@H]2CCCO2)[C@H](C)C1 ZINC000329740515 553997949 /nfs/dbraw/zinc/99/79/49/553997949.db2.gz OALMNPYNKZEXDM-LFRCEIEQSA-N 1 0 366.506 2.229 20 30 FEEDRO Cc1nc2ccccc2n1CCNS(=O)(=O)Cc1cccc(C#N)c1 ZINC000507395285 561727888 /nfs/dbraw/zinc/72/78/88/561727888.db2.gz YOVDRBGJBBAALM-UHFFFAOYSA-N 1 0 354.435 2.336 20 30 FEEDRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@@H]1CCCN(c2ccc(C)nn2)C1 ZINC000329772790 554003583 /nfs/dbraw/zinc/00/35/83/554003583.db2.gz KYUJWADQQCMNFP-KZNAEPCWSA-N 1 0 372.517 2.226 20 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ZINC000329829636 554014550 /nfs/dbraw/zinc/01/45/50/554014550.db2.gz SDXWBKFSOYJPGK-BFYDXBDKSA-N 1 0 374.460 2.261 20 30 FEEDRO Cc1ccc(NC(=O)[C@@H](NCCn2cnc(C#N)n2)c2ccccc2)cc1 ZINC000507218284 561721607 /nfs/dbraw/zinc/72/16/07/561721607.db2.gz ZZUFBLSBTXWRIK-IBGZPJMESA-N 1 0 360.421 2.428 20 30 FEEDRO CCC1(CC)CN(C(=O)NC2CC[NH+](CC3CC3)CC2)CCS1(=O)=O ZINC000329849804 554018374 /nfs/dbraw/zinc/01/83/74/554018374.db2.gz ZKUDQWPYGJSBPJ-UHFFFAOYSA-N 1 0 371.547 2.064 20 30 FEEDRO CC(C)c1nnc([C@@H]2CN(C(=O)N[C@H](C)C[NH+]3CCCCC3)CCO2)o1 ZINC000329921692 554032288 /nfs/dbraw/zinc/03/22/88/554032288.db2.gz STEFDBUMIQRFOU-CABCVRRESA-N 1 0 365.478 2.355 20 30 FEEDRO CC1CC[NH+](Cc2ccc(CNC(=O)N[C@@H]3CC(=O)N(C)C3)cc2)CC1 ZINC000329927012 554032842 /nfs/dbraw/zinc/03/28/42/554032842.db2.gz LDZNAHJGERMZOT-GOSISDBHSA-N 1 0 358.486 2.153 20 30 FEEDRO Cn1cc([C@@]2(C)CN(C(=O)NCC3([NH+](C)C)CCCCC3)CCO2)cn1 ZINC000329963934 554039718 /nfs/dbraw/zinc/03/97/18/554039718.db2.gz UFBGRNLJLGSMME-GOSISDBHSA-N 1 0 363.506 2.146 20 30 FEEDRO CC1CC[NH+](CC(=O)N2CCN(C(=O)NC3CCCCC3)CC2)CC1 ZINC000329971646 554041526 /nfs/dbraw/zinc/04/15/26/554041526.db2.gz VQDSBUOMKBFZBM-UHFFFAOYSA-N 1 0 350.507 2.109 20 30 FEEDRO CCN1CCN(C(=O)NC2CC[NH+](C3CCCC3)CC2)C[C@@H]1c1ncc[nH]1 ZINC000329973674 554042201 /nfs/dbraw/zinc/04/22/01/554042201.db2.gz WXYDNOWLXXWRAM-GOSISDBHSA-N 1 0 374.533 2.409 20 30 FEEDRO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC[C@@H]1C[C@H](F)CN1Cc1cnn(C)c1 ZINC000329977870 554042724 /nfs/dbraw/zinc/04/27/24/554042724.db2.gz GNKOJYUNVVRUAR-FSDCSDTHSA-N 1 0 351.470 2.162 20 30 FEEDRO CCN1CCN(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C[C@@H]1c1ncc[nH]1 ZINC000329999353 554046693 /nfs/dbraw/zinc/04/66/93/554046693.db2.gz UPLHUPBMVLJKNQ-OAHLLOKOSA-N 1 0 362.522 2.312 20 30 FEEDRO CC1CC[NH+](Cc2ccc(CNC(=O)N[C@@H]3CC[S@](=O)C3)cc2)CC1 ZINC000329998457 554046725 /nfs/dbraw/zinc/04/67/25/554046725.db2.gz SHORFNQBPPJPQQ-CJAUYULYSA-N 1 0 363.527 2.443 20 30 FEEDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2C[C@H](C)O[C@@]3(CCOC3)C2)C1 ZINC000329996765 554046739 /nfs/dbraw/zinc/04/67/39/554046739.db2.gz PKWBBQXNKRQFEV-SCTDSRPQSA-N 1 0 353.507 2.148 20 30 FEEDRO CC(=O)N1CCC[C@H](CNC(=O)N2CC[NH+](C3CCCCC3)CC2)C1 ZINC000329999646 554046947 /nfs/dbraw/zinc/04/69/47/554046947.db2.gz VBPNGXOGZDATIO-QGZVFWFLSA-N 1 0 350.507 2.109 20 30 FEEDRO O=C(N[C@@H]1CC[S@@](=O)C1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000330023901 554051352 /nfs/dbraw/zinc/05/13/52/554051352.db2.gz JHMVIMRPAIKROM-OFADQRRESA-N 1 0 361.511 2.207 20 30 FEEDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CC[C@H](N3CCCC3=O)C2)C1 ZINC000330072927 554059771 /nfs/dbraw/zinc/05/97/71/554059771.db2.gz ZKHOHWGZBDUOTQ-SJORKVTESA-N 1 0 364.534 2.498 20 30 FEEDRO C[C@@H](CNC(=O)N1CCC(c2nnc3n2CCCC3)CC1)C[NH+]1CCCC1 ZINC000330085857 554062175 /nfs/dbraw/zinc/06/21/75/554062175.db2.gz LUBLEIXIQHNISM-INIZCTEOSA-N 1 0 374.533 2.440 20 30 FEEDRO C[C@@H]1C[C@@H](NC(=O)N2CCC(c3nnc4n3CCCC4)CC2)C[N@@H+]1C1CC1 ZINC000330086363 554062307 /nfs/dbraw/zinc/06/23/07/554062307.db2.gz MECRKHOSLVRQCZ-GDBMZVCRSA-N 1 0 372.517 2.333 20 30 FEEDRO Cc1nnc2n1C[C@@H](C[NH+]=C([O-])N1CC[NH+](C3CCCCC3)CC1)CC2 ZINC000330115570 554067186 /nfs/dbraw/zinc/06/71/86/554067186.db2.gz FSUXSLYDICKGTJ-MRXNPFEDSA-N 1 0 360.506 2.013 20 30 FEEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCCN(c3ccc(C)nn3)C2)C[C@H]1C ZINC000330133101 554070579 /nfs/dbraw/zinc/07/05/79/554070579.db2.gz QWVINORXZLQDCB-KURKYZTESA-N 1 0 374.533 2.472 20 30 FEEDRO CCn1cc([C@@H]2NC(=O)CC[C@H]2NC(=O)N2CC[NH+](C(C)C)CC2)cn1 ZINC000330173582 554078325 /nfs/dbraw/zinc/07/83/25/554078325.db2.gz HNBZBRAEVCAUSE-WBVHZDCISA-N 1 0 362.478 2.003 20 30 FEEDRO Cc1ccc(N2CCC[C@H](NC(=O)N[C@@H]3CCC[C@@H]([NH+](C)C)C3)C2)nn1 ZINC000330190259 554081230 /nfs/dbraw/zinc/08/12/30/554081230.db2.gz MKHLCGVLJFOXJR-IXDOHACOSA-N 1 0 360.506 2.130 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1F ZINC000330197200 554083166 /nfs/dbraw/zinc/08/31/66/554083166.db2.gz RMHXLHQKCCDXFB-KBXCAEBGSA-N 1 0 363.458 2.335 20 30 FEEDRO COC1CCC(CNC(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC1 ZINC000330213163 554086292 /nfs/dbraw/zinc/08/62/92/554086292.db2.gz FDEVQRAPCGQBHJ-XAWIXRBMSA-N 1 0 353.507 2.073 20 30 FEEDRO C[C@H]1OCC[C@H]1[NH2+]CC(=O)NC1CCN(C(=O)C2CCCCC2)CC1 ZINC000330223576 554088192 /nfs/dbraw/zinc/08/81/92/554088192.db2.gz AIQIUOFOUVBQJS-RHSMWYFYSA-N 1 0 351.491 2.281 20 30 FEEDRO O=C(Nc1nccn1-c1ccccc1)N1CCC[C@@H]1CN1CCOCC1 ZINC000330236105 554090583 /nfs/dbraw/zinc/09/05/83/554090583.db2.gz HDGGIIFQELJLAX-QGZVFWFLSA-N 1 0 355.442 2.214 20 30 FEEDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)N[C@@H]1CCO[C@H](C2CC2)C1 ZINC000330236903 554091137 /nfs/dbraw/zinc/09/11/37/554091137.db2.gz UPLINMHSFSGCKD-LESCRADOSA-N 1 0 351.491 2.043 20 30 FEEDRO O=C(Nc1nccn1-c1ccccc1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000330246081 554092327 /nfs/dbraw/zinc/09/23/27/554092327.db2.gz LAYINPDVKMZPNV-QGZVFWFLSA-N 1 0 369.469 2.462 20 30 FEEDRO COc1cc(NC(=O)[C@@H]2CCC[N@@H+]2C2CC2)ccc1NS(C)(=O)=O ZINC000330251607 554093629 /nfs/dbraw/zinc/09/36/29/554093629.db2.gz HTWXOIMBDGGFAA-AWEZNQCLSA-N 1 0 353.444 2.282 20 30 FEEDRO CS(=O)(=O)[C@@H]1CCCC[C@H]1NC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000330268397 554096496 /nfs/dbraw/zinc/09/64/96/554096496.db2.gz REAYKHRPFIZYBP-BRWVUGGUSA-N 1 0 371.547 2.207 20 30 FEEDRO Cc1noc(C)c1C[C@@H](C)NC(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC000330272287 554097378 /nfs/dbraw/zinc/09/73/78/554097378.db2.gz XJXXISGKXDXRHZ-KGLIPLIRSA-N 1 0 364.490 2.322 20 30 FEEDRO CCC[NH+]1CCC(CNC(=O)N2CCN(CC)[C@H](c3ncc[nH]3)C2)CC1 ZINC000330337157 554107213 /nfs/dbraw/zinc/10/72/13/554107213.db2.gz TUPBZMJZBZEKDR-KRWDZBQOSA-N 1 0 362.522 2.124 20 30 FEEDRO C[C@@H](C#N)CN(C)S(=O)(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000330375333 554113027 /nfs/dbraw/zinc/11/30/27/554113027.db2.gz NROXGVNIBILWTK-IRXDYDNUSA-N 1 0 370.563 2.299 20 30 FEEDRO CC[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCC[C@@H](C(=O)NC(C)C)C2)C1 ZINC000330437546 554121725 /nfs/dbraw/zinc/12/17/25/554121725.db2.gz ZFPFTMIQCLUZFV-BRWVUGGUSA-N 1 0 352.523 2.305 20 30 FEEDRO CC(C)CNC(=O)N1CCC[C@H](C(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)C1 ZINC000330568671 554139185 /nfs/dbraw/zinc/13/91/85/554139185.db2.gz WWTRGWZOGURJIS-WMZOPIPTSA-N 1 0 366.550 2.457 20 30 FEEDRO CC[C@@H]1CN(C(=O)Nc2cc(OC)ccc2OC)CC[N@@H+]1C[C@H](C)O ZINC000330652933 554151103 /nfs/dbraw/zinc/15/11/03/554151103.db2.gz NPOWOXCKLDOJSO-UONOGXRCSA-N 1 0 351.447 2.026 20 30 FEEDRO CC[N@@H+]1CCC[C@H](NC(=O)NCc2ccc(S(=O)(=O)CC)s2)C1 ZINC000330994590 554198490 /nfs/dbraw/zinc/19/84/90/554198490.db2.gz TYGUGUBWQROHNM-LBPRGKRZSA-N 1 0 359.517 2.030 20 30 FEEDRO C=CCn1c(CCc2ccco2)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC000508476712 561763171 /nfs/dbraw/zinc/76/31/71/561763171.db2.gz GGYDHTQZZNGXRE-UHFFFAOYSA-N 1 0 371.485 2.143 20 30 FEEDRO C=CCn1c(C(=O)NC(C)C)nnc1N(C)CC[NH+](C(C)C)C(C)C ZINC000508494012 561763507 /nfs/dbraw/zinc/76/35/07/561763507.db2.gz NPYXYWQKWDDGHI-UHFFFAOYSA-N 1 0 350.511 2.157 20 30 FEEDRO COc1ncc(NC(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)cc1C(N)=O ZINC000331050822 554206164 /nfs/dbraw/zinc/20/61/64/554206164.db2.gz XWLONZXSLVMUMJ-GFCCVEGCSA-N 1 0 363.462 2.026 20 30 FEEDRO CC(=O)N1CCC[C@H](CNC(=O)N2CC[NH+](CCC(C)(C)C)CC2)C1 ZINC000331076765 554209643 /nfs/dbraw/zinc/20/96/43/554209643.db2.gz WNWKDFVSTHFKOY-QGZVFWFLSA-N 1 0 352.523 2.213 20 30 FEEDRO C=CCn1c([C@@H](C)OCCOC)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000508705204 561770206 /nfs/dbraw/zinc/77/02/06/561770206.db2.gz HRHQHKKHXONZNS-SJORKVTESA-N 1 0 363.506 2.253 20 30 FEEDRO CC[C@H]1CN(C(=O)Nc2ccc(C(N)=O)cc2F)CC[N@@H+]1C[C@H](C)O ZINC000331192741 554228785 /nfs/dbraw/zinc/22/87/85/554228785.db2.gz MCBDFSFXBCFDEN-AAEUAGOBSA-N 1 0 352.410 2.032 20 30 FEEDRO C[C@@H](O)C[N@@H+]1CCN(C(=O)Nc2cc(Cl)ccc2N(C)C)[C@H](C)C1 ZINC000331192419 554228933 /nfs/dbraw/zinc/22/89/33/554228933.db2.gz RMOQMCDFUYEGRJ-CHWSQXEVSA-N 1 0 354.882 2.338 20 30 FEEDRO CC[C@H](NC(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1)c1c(C)nn(C)c1C ZINC000331213702 554232141 /nfs/dbraw/zinc/23/21/41/554232141.db2.gz AMORNPJDHDBBAL-CJNGLKHVSA-N 1 0 365.522 2.179 20 30 FEEDRO Cn1cc([C@@H]2CN(C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)CCO2)cn1 ZINC000331226512 554233693 /nfs/dbraw/zinc/23/36/93/554233693.db2.gz FMYDKJZRPIHONW-HOTGVXAUSA-N 1 0 351.495 2.074 20 30 FEEDRO CC(C)C[C@@H]1OCCC[C@@H]1NC(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C ZINC000331238256 554234584 /nfs/dbraw/zinc/23/45/84/554234584.db2.gz NMCYTJMLKMKKFL-IKGGRYGDSA-N 1 0 355.523 2.271 20 30 FEEDRO CO[C@H](C)c1nc(CNC(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)cs1 ZINC000331235204 554234874 /nfs/dbraw/zinc/23/48/74/554234874.db2.gz SVOBWEAJHUNPNN-CHWSQXEVSA-N 1 0 370.519 2.042 20 30 FEEDRO Cc1cc(NC(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)c(C#N)cc1N(C)C ZINC000331250397 554236538 /nfs/dbraw/zinc/23/65/38/554236538.db2.gz YUWOVHHQBLJBRX-OAHLLOKOSA-N 1 0 373.501 2.242 20 30 FEEDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NS(=O)(=O)Cc1cc(C#N)ccc1F ZINC000331290633 554242459 /nfs/dbraw/zinc/24/24/59/554242459.db2.gz KFQRQACNMGLNDH-UONOGXRCSA-N 1 0 353.463 2.237 20 30 FEEDRO C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CCC[C@H](c2nc(C(F)(F)F)c[nH]2)C1 ZINC000331308858 554245222 /nfs/dbraw/zinc/24/52/22/554245222.db2.gz XLAWEGWGLYKBEM-RYUDHWBXSA-N 1 0 357.380 2.368 20 30 FEEDRO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000331406982 554259408 /nfs/dbraw/zinc/25/94/08/554259408.db2.gz ULXFKLDGWZOOSU-WBVHZDCISA-N 1 0 354.454 2.220 20 30 FEEDRO CS[C@@H]1CN([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@H]1[NH+](C)C ZINC000331410734 554260039 /nfs/dbraw/zinc/26/00/39/554260039.db2.gz GGKLBZLDUNSFDK-RCCFBDPRSA-N 1 0 358.511 2.031 20 30 FEEDRO C=CCn1c([C@@H]2COCCO2)nnc1N(C)CC[NH+](C(C)C)C(C)C ZINC000508949019 561779102 /nfs/dbraw/zinc/77/91/02/561779102.db2.gz GGYPEVCUJHVHBU-INIZCTEOSA-N 1 0 351.495 2.107 20 30 FEEDRO Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC([NH+]2CCCC2)CC1 ZINC000508985221 561780201 /nfs/dbraw/zinc/78/02/01/561780201.db2.gz XOBVIXGMPIZAOH-UHFFFAOYSA-N 1 0 366.469 2.330 20 30 FEEDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCCN(c3nc(C)ccc3C#N)C2)C1 ZINC000331627995 554298081 /nfs/dbraw/zinc/29/80/81/554298081.db2.gz RJVXJDBQPZYEIO-PKOBYXMFSA-N 1 0 369.513 2.278 20 30 FEEDRO C[C@@H](C(=O)Nc1ccccc1C#N)N1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000332029112 554366955 /nfs/dbraw/zinc/36/69/55/554366955.db2.gz HITSRBXPCUKXSN-HOTGVXAUSA-N 1 0 356.470 2.070 20 30 FEEDRO C[C@H](CC#N)N(C)S(=O)(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1 ZINC000510098438 561824998 /nfs/dbraw/zinc/82/49/98/561824998.db2.gz GJPWQLYQKCKRCB-CQSZACIVSA-N 1 0 372.922 2.182 20 30 FEEDRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000332546593 554468928 /nfs/dbraw/zinc/46/89/28/554468928.db2.gz NGKKLUFOQBSRJV-XJKSGUPXSA-N 1 0 361.877 2.041 20 30 FEEDRO CC1CC[NH+](CCNC(=O)N2CCN(c3ccccc3C#N)CC2)CC1 ZINC000510565352 561839046 /nfs/dbraw/zinc/83/90/46/561839046.db2.gz LZAOUTDJXYPJDQ-UHFFFAOYSA-N 1 0 355.486 2.122 20 30 FEEDRO Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N[C@@H](C)C3=CC[N@H+](C)CC3)C2)n1 ZINC000332907601 554540792 /nfs/dbraw/zinc/54/07/92/554540792.db2.gz ONMRMVCKRRHBHW-QFBILLFUSA-N 1 0 367.497 2.245 20 30 FEEDRO N#Cc1ccc(N2CCC[C@@H](NC(=O)[C@H]3CCC[N@@H+]3C3CC3)C2)c(F)c1 ZINC000333000367 554556825 /nfs/dbraw/zinc/55/68/25/554556825.db2.gz JFJYYZDPMAOHKT-DNVCBOLYSA-N 1 0 356.445 2.409 20 30 FEEDRO N#Cc1c(NC(=O)CC[N@H+]2CCSC[C@H]2CCO)sc2c1CCC2 ZINC000333440195 554613514 /nfs/dbraw/zinc/61/35/14/554613514.db2.gz LQBNDNCQSIZFFG-GFCCVEGCSA-N 1 0 365.524 2.237 20 30 FEEDRO N#Cc1cnc2c(F)c(F)c(F)cc2c1N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000333545052 554622697 /nfs/dbraw/zinc/62/26/97/554622697.db2.gz OKLQGVQPFAOQRZ-LBPRGKRZSA-N 1 0 361.371 2.008 20 30 FEEDRO N#Cc1ccc(OC2CCC(NC(=O)N3CCC4(CC[NH2+]4)CC3)CC2)nc1 ZINC000333864558 554650375 /nfs/dbraw/zinc/65/03/75/554650375.db2.gz SRSIRQNGUSNWDS-UHFFFAOYSA-N 1 0 369.469 2.181 20 30 FEEDRO N#Cc1cccc(OC2CCN(C(=O)N[C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)CC2)c1 ZINC000333924873 554656712 /nfs/dbraw/zinc/65/67/12/554656712.db2.gz TZXIFDCIEKYDIW-FGTMMUONSA-N 1 0 368.481 2.499 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](C)C(=O)N2CCCC[C@@H]2C)CC1 ZINC000334005384 554667468 /nfs/dbraw/zinc/66/74/68/554667468.db2.gz UUWOTYVHAXGNOI-HOTGVXAUSA-N 1 0 350.507 2.116 20 30 FEEDRO C=CCOC[C@H]1NC(=O)N(C[C@H](c2ccc(C)cc2)[NH+]2CCCC2)C1=O ZINC000348427301 554684673 /nfs/dbraw/zinc/68/46/73/554684673.db2.gz SPBOXNOHKCSVSE-QZTJIDSGSA-N 1 0 357.454 2.255 20 30 FEEDRO C=CCOC[C@H]1NC(=O)N(C[C@@H]2CCCC[N@@H+]2Cc2ccccc2)C1=O ZINC000348456911 554685596 /nfs/dbraw/zinc/68/55/96/554685596.db2.gz CFGGMYVOGDIYMQ-ZWKOTPCHSA-N 1 0 357.454 2.164 20 30 FEEDRO C=CCOC[C@H]1NC(=O)N([C@H](C[N@H+](C)Cc2ccccc2)C(C)C)C1=O ZINC000348577017 554689268 /nfs/dbraw/zinc/68/92/68/554689268.db2.gz LKGBJUOJTBQGLZ-QZTJIDSGSA-N 1 0 359.470 2.266 20 30 FEEDRO C[C@@H]([NH2+]CC(=O)N1CCC(C(=O)N2CCCC2)CC1)c1ccc(C#N)cc1 ZINC000362487524 554974831 /nfs/dbraw/zinc/97/48/31/554974831.db2.gz QEBCFZYAYPTPSW-MRXNPFEDSA-N 1 0 368.481 2.070 20 30 FEEDRO N#Cc1ccc(C[NH2+]C2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)o1 ZINC000362907483 554998493 /nfs/dbraw/zinc/99/84/93/554998493.db2.gz UAKRBDMWDWDVLH-LJQANCHMSA-N 1 0 367.405 2.072 20 30 FEEDRO C[C@H](C(=O)Nc1ccccc1C#N)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000363036209 555015412 /nfs/dbraw/zinc/01/54/12/555015412.db2.gz DMECFFXBOGSZFP-QGZVFWFLSA-N 1 0 370.497 2.320 20 30 FEEDRO N#Cc1ccccc1N1CCC[C@H](NC(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000363187256 555049073 /nfs/dbraw/zinc/04/90/73/555049073.db2.gz JKYRNLGCDCGTKM-CEXWTWQISA-N 1 0 367.497 2.453 20 30 FEEDRO CN1CC[NH+](CCC2CCN(C(=O)c3cccc(CC#N)c3)CC2)CC1 ZINC000363344469 555082241 /nfs/dbraw/zinc/08/22/41/555082241.db2.gz DGOPKFFKGDUNHH-UHFFFAOYSA-N 1 0 354.498 2.242 20 30 FEEDRO C=CCN(Cc1ccccc1)C(=O)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000511963710 561886961 /nfs/dbraw/zinc/88/69/61/561886961.db2.gz GAGISFFDWPPNCH-UHFFFAOYSA-N 1 0 355.482 2.334 20 30 FEEDRO C=CC[C@H](CO)NC(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1ccc(OC)cc1 ZINC000363785649 555186235 /nfs/dbraw/zinc/18/62/35/555186235.db2.gz ZMCYNQRELUSNMG-LMMKCTJWSA-N 1 0 361.486 2.314 20 30 FEEDRO CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1CC(=O)N(C)C1(C#N)CCCCC1 ZINC000364019608 555234655 /nfs/dbraw/zinc/23/46/55/555234655.db2.gz LWMMPZHESFAIHS-ZWKOTPCHSA-N 1 0 360.502 2.147 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N2CC(Cc3cc(OC)cc(OC)c3)C2)CC1 ZINC000364035540 555237737 /nfs/dbraw/zinc/23/77/37/555237737.db2.gz HEXNLYCQBKTGSF-UHFFFAOYSA-N 1 0 356.466 2.050 20 30 FEEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(-n2ccnc2C)c(F)c1 ZINC000364147208 555258699 /nfs/dbraw/zinc/25/86/99/555258699.db2.gz TXMSEDGKILSLHI-QWHCGFSZSA-N 1 0 373.432 2.371 20 30 FEEDRO C[NH+]1CCC(N2CC[C@H](NC(=O)c3cccc(SCC#N)c3)C2)CC1 ZINC000364175383 555263371 /nfs/dbraw/zinc/26/33/71/555263371.db2.gz INCFXRJUZQRBHW-INIZCTEOSA-N 1 0 358.511 2.201 20 30 FEEDRO C[NH+]1CCC(N2CC[C@@H](NC(=O)c3cccc(SCC#N)c3)C2)CC1 ZINC000364175384 555263383 /nfs/dbraw/zinc/26/33/83/555263383.db2.gz INCFXRJUZQRBHW-MRXNPFEDSA-N 1 0 358.511 2.201 20 30 FEEDRO N#Cc1ccc(C(=O)NCC(=O)Nc2cccc3c2C[N@@H+](C2CC2)C3)cc1 ZINC000364263011 555280647 /nfs/dbraw/zinc/28/06/47/555280647.db2.gz ATPBXAPBFPUOJV-UHFFFAOYSA-N 1 0 360.417 2.405 20 30 FEEDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)N2CCCN(c3ncccc3C#N)CC2)C1 ZINC000364276771 555283330 /nfs/dbraw/zinc/28/33/30/555283330.db2.gz XRVHYEIXMRXIAA-MSOLQXFVSA-N 1 0 370.501 2.048 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)[C@@H]2CC(=O)c3cc(Cl)ccc3O2)CC1 ZINC000364841943 555413251 /nfs/dbraw/zinc/41/32/51/555413251.db2.gz SMQPBDCXAWJLBV-SFHVURJKSA-N 1 0 360.841 2.278 20 30 FEEDRO N#Cc1ccc(OC2CC[NH+](CCN3C[C@H]4CC[C@@H](C3)O4)CC2)c(F)c1 ZINC000512801977 561915765 /nfs/dbraw/zinc/91/57/65/561915765.db2.gz PPILFEMJCJFFOT-HDICACEKSA-N 1 0 359.445 2.404 20 30 FEEDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000365113760 555488476 /nfs/dbraw/zinc/48/84/76/555488476.db2.gz ATLPWEFEJPTESM-INIZCTEOSA-N 1 0 353.466 2.302 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCCN(CC(F)(F)F)CC2)CC1 ZINC000365186890 555504895 /nfs/dbraw/zinc/50/48/95/555504895.db2.gz KGFBOXYCSPDHAG-UHFFFAOYSA-N 1 0 362.440 2.307 20 30 FEEDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)Cc2c(F)cccc2C#N)[C@H](C)C1 ZINC000512951860 561920735 /nfs/dbraw/zinc/92/07/35/561920735.db2.gz XJGZHFDLEXPJFW-DNVCBOLYSA-N 1 0 361.461 2.493 20 30 FEEDRO C=CCOc1ccc(C[NH2+][C@@H]2CCCN(S(=O)(=O)C3CC3)C2)cc1 ZINC000513065844 561923893 /nfs/dbraw/zinc/92/38/93/561923893.db2.gz YGYOOIHDYNQTMV-MRXNPFEDSA-N 1 0 350.484 2.298 20 30 FEEDRO C=CCN(C(=O)COC[C@H]1CCOC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000365325901 555543047 /nfs/dbraw/zinc/54/30/47/555543047.db2.gz JFDDQNRPUFZHHC-PMACEKPBSA-N 1 0 358.482 2.329 20 30 FEEDRO N#CC1(NC(=O)c2ccc(O)cc2O)CC[NH+](Cc2ccccc2)CC1 ZINC000365392085 555562693 /nfs/dbraw/zinc/56/26/93/555562693.db2.gz GPCYWQFTMMGXMY-UHFFFAOYSA-N 1 0 351.406 2.386 20 30 FEEDRO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1CCC2(CCN(C)C2=O)CC1 ZINC000365485817 555588222 /nfs/dbraw/zinc/58/82/22/555588222.db2.gz SBPBIGGWZRWNJX-BQIYRTECSA-N 1 0 374.529 2.250 20 30 FEEDRO C[N@@H+]1C[C@@H]2CN(C(=O)C(=O)Nc3cccc(C#N)c3)C[C@H]2[C@H]1c1ccccc1 ZINC000365689738 555641426 /nfs/dbraw/zinc/64/14/26/555641426.db2.gz BQUIMHYZVURWOX-MISYRCLQSA-N 1 0 374.444 2.258 20 30 FEEDRO Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N3CCCC[C@@H]3C[NH+](C)C)C2)n1 ZINC000365755826 555660581 /nfs/dbraw/zinc/66/05/81/555660581.db2.gz ZDPJQYPTNRXLLX-RBUKOAKNSA-N 1 0 369.513 2.421 20 30 FEEDRO CC[C@@](C)(C#N)C(=O)N1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000513570429 561943225 /nfs/dbraw/zinc/94/32/25/561943225.db2.gz CIPCFOQBFDINAL-FQEVSTJZSA-N 1 0 358.486 2.215 20 30 FEEDRO Cc1ccc(N2CCC[C@H](C(=O)N(CCC#N)CCC[NH+](C)C)C2)nc1 ZINC000366059825 555739774 /nfs/dbraw/zinc/73/97/74/555739774.db2.gz XCGATYKVBXXCCB-SFHVURJKSA-N 1 0 357.502 2.300 20 30 FEEDRO C[C@H](NC(=O)[C@H](C)[NH+]1CCC(n2cnc(C#N)n2)CC1)c1ccccc1 ZINC000366379947 555827439 /nfs/dbraw/zinc/82/74/39/555827439.db2.gz GKMKAKYDQRAUAB-GJZGRUSLSA-N 1 0 352.442 2.053 20 30 FEEDRO N#Cc1c(F)ccc(C[NH2+]C2CCN(S(=O)(=O)C3CC3)CC2)c1Cl ZINC000366774595 555930968 /nfs/dbraw/zinc/93/09/68/555930968.db2.gz SEILZVVCJYNALK-UHFFFAOYSA-N 1 0 371.865 2.397 20 30 FEEDRO C=CCOCCNC(=O)N1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000366785805 555933729 /nfs/dbraw/zinc/93/37/29/555933729.db2.gz RQOOYZAFDGVBBP-CALCHBBNSA-N 1 0 353.507 2.110 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H]2CC(=O)N(C)[C@@H]2c2ccc(F)cc2)CC1 ZINC000366832871 555946545 /nfs/dbraw/zinc/94/65/45/555946545.db2.gz PPJBCDYGZLLHDB-IEBWSBKVSA-N 1 0 374.460 2.047 20 30 FEEDRO Cc1ccc(C#N)c(N2CCC[C@H](C(=O)NC3(C[NH+](C)C)CCC3)C2)n1 ZINC000367005919 555995832 /nfs/dbraw/zinc/99/58/32/555995832.db2.gz WPUDLBFXVGPHOZ-KRWDZBQOSA-N 1 0 355.486 2.079 20 30 FEEDRO C=CC[C@@H](CO)C[NH2+]Cc1cn(-c2ccccc2Br)nn1 ZINC000514723895 561976226 /nfs/dbraw/zinc/97/62/26/561976226.db2.gz YWHMHWGCZJQHTA-GFCCVEGCSA-N 1 0 351.248 2.304 20 30 FEEDRO Cc1cccc(N(CCC#N)C(=O)C[NH2+][C@H]2CCC(=O)N[C@@H]2C2CC2)c1C ZINC000367460132 556056765 /nfs/dbraw/zinc/05/67/65/556056765.db2.gz YQIUXQVPSWTVLL-LAUBAEHRSA-N 1 0 368.481 2.197 20 30 FEEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H](C)C[N@H+](C)C(C)C ZINC000514763023 561978243 /nfs/dbraw/zinc/97/82/43/561978243.db2.gz YMJIBLUCYNQPMR-AWEZNQCLSA-N 1 0 360.458 2.129 20 30 FEEDRO COCC[N@H+]([C@@H]1CCO[C@@H]1C)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000514838988 561982473 /nfs/dbraw/zinc/98/24/73/561982473.db2.gz UDCJNTVWYLZFIA-ATZDWAIDSA-N 1 0 357.454 2.179 20 30 FEEDRO N#Cc1ccc(N2C(=O)C[C@@H](N3Cc4ccc(O)cc4C4(CC4)C3)C2=O)cc1 ZINC000514913992 561986260 /nfs/dbraw/zinc/98/62/60/561986260.db2.gz CXJGCRSBFALHRT-LJQANCHMSA-N 1 0 373.412 2.443 20 30 FEEDRO N#Cc1ccc(OC[C@@H](O)CNC2(c3noc(C(F)F)n3)CCC2)cc1 ZINC000367861313 556157731 /nfs/dbraw/zinc/15/77/31/556157731.db2.gz ZQVXBFQPUGEBLY-LBPRGKRZSA-N 1 0 364.352 2.288 20 30 FEEDRO COc1ccc(S(=O)(=O)N2CCC([NH2+]CCCCC#N)CC2)cc1 ZINC000367922456 556173566 /nfs/dbraw/zinc/17/35/66/556173566.db2.gz CCDDFMQMRLBKFS-UHFFFAOYSA-N 1 0 351.472 2.132 20 30 FEEDRO N#Cc1ccc(OCC[NH2+][C@H]2CCCc3ccc(S(N)(=O)=O)cc32)cc1 ZINC000367986240 556188533 /nfs/dbraw/zinc/18/85/33/556188533.db2.gz ISMPATGTAAFUMZ-IBGZPJMESA-N 1 0 371.462 2.252 20 30 FEEDRO C#CC[C@]1(C(=O)NC[C@H]2CC[N@@H+](CC)C2)CCCN1C(=O)OC(C)(C)C ZINC000368013532 556195335 /nfs/dbraw/zinc/19/53/35/556195335.db2.gz BLDFEXBEJQXWMJ-OXQOHEQNSA-N 1 0 363.502 2.237 20 30 FEEDRO C[C@H](C#N)Oc1ccccc1NC1CC[NH+](CCN2CCOCC2)CC1 ZINC000368083920 556214256 /nfs/dbraw/zinc/21/42/56/556214256.db2.gz BCTGWUHBFXLUAX-QGZVFWFLSA-N 1 0 358.486 2.186 20 30 FEEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CC[C@@H]3C(=O)NC[C@H]3C2)c1 ZINC000368102254 556219999 /nfs/dbraw/zinc/21/99/99/556219999.db2.gz XRQGQRSSMSRTLT-LNLFQRSKSA-N 1 0 368.481 2.007 20 30 FEEDRO CN1CC[C@@H]([NH2+]CC(=O)NCc2cccc(C#N)c2)[C@@H]1c1ccc(F)cc1 ZINC000368230977 556254200 /nfs/dbraw/zinc/25/42/00/556254200.db2.gz HJVTXXNNWLUYKF-CTNGQTDRSA-N 1 0 366.440 2.349 20 30 FEEDRO CCC[NH+]1CCN(C2CCN(c3ccc([N+](=O)[O-])c(C#N)c3)CC2)CC1 ZINC000368353733 556285588 /nfs/dbraw/zinc/28/55/88/556285588.db2.gz JZXSLESOTAETPE-UHFFFAOYSA-N 1 0 357.458 2.463 20 30 FEEDRO Cn1cc(-c2ncc(CN3CCN([C@@H](C#N)c4ccccc4)CC3)cn2)cn1 ZINC000368439209 556309004 /nfs/dbraw/zinc/30/90/04/556309004.db2.gz RWZIHBCOEWMQCR-FQEVSTJZSA-N 1 0 373.464 2.260 20 30 FEEDRO N#C[C@@H](c1ccccc1)N1CCN(C(=O)CSCC2CC[NH2+]CC2)CC1 ZINC000515349941 562006490 /nfs/dbraw/zinc/00/64/90/562006490.db2.gz IKAZZEBFHOOIKE-IBGZPJMESA-N 1 0 372.538 2.128 20 30 FEEDRO CC[NH+](CC)Cc1ccccc1CNC(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000369231370 556543065 /nfs/dbraw/zinc/54/30/65/556543065.db2.gz MASWVOXBUSDIMX-FQEVSTJZSA-N 1 0 369.513 2.410 20 30 FEEDRO C=CCOc1ccc(C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1OC ZINC000369275596 556561259 /nfs/dbraw/zinc/56/12/59/556561259.db2.gz XYIZELQPWHIUIU-QGZVFWFLSA-N 1 0 373.497 2.158 20 30 FEEDRO C#CCSCCNC(=O)N[C@@H]1CC[N@@H+](Cc2cnc(C)s2)C[C@@H]1C ZINC000369612244 556647961 /nfs/dbraw/zinc/64/79/61/556647961.db2.gz OFNKVINXWAUIGT-XJKSGUPXSA-N 1 0 366.556 2.328 20 30 FEEDRO C[N@@H+]1C[C@@H]2CN(S(=O)(=O)c3ccccc3C#N)C[C@@H]2[C@@H]1c1ccccc1 ZINC000369678087 556666313 /nfs/dbraw/zinc/66/63/13/556666313.db2.gz JLXYCURXVADXBE-HBFSDRIKSA-N 1 0 367.474 2.482 20 30 FEEDRO Cc1nc(C)n(C[C@@H]2CCC[N@@H+]2CCC(=O)Nc2ccc(C#N)cc2)n1 ZINC000369784683 556693709 /nfs/dbraw/zinc/69/37/09/556693709.db2.gz PWXVFCPDLJGRDA-SFHVURJKSA-N 1 0 352.442 2.260 20 30 FEEDRO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@H](Cc2nnc3ccccn32)C1 ZINC000369942609 556736750 /nfs/dbraw/zinc/73/67/50/556736750.db2.gz BWSAIYMKRMEPFW-UZLBHIALSA-N 1 0 368.485 2.038 20 30 FEEDRO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)NCC2CCC(C#N)CC2)CC1 ZINC000370151838 556794815 /nfs/dbraw/zinc/79/48/15/556794815.db2.gz REGOBKFRLFDKKN-ACBHZAAOSA-N 1 0 361.534 2.128 20 30 FEEDRO CC[C@@H](CC#N)NC(=O)c1nnn(-c2cccc3c2CC[N@H+](CC)C3)c1C ZINC000370380983 556856102 /nfs/dbraw/zinc/85/61/02/556856102.db2.gz LDDXBUSHGDEYSP-INIZCTEOSA-N 1 0 366.469 2.376 20 30 FEEDRO O=C(NC[C@@]1(O)C[NH+]2CCC1CC2)c1ccc(C#Cc2ccccc2)cc1 ZINC000516784710 562058070 /nfs/dbraw/zinc/05/80/70/562058070.db2.gz VZNVRBGNFAKIDR-HSZRJFAPSA-N 1 0 360.457 2.273 20 30 FEEDRO Cc1cc(NC(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)nn1-c1cccc(C#N)c1 ZINC000370696061 556942670 /nfs/dbraw/zinc/94/26/70/556942670.db2.gz FGRCEZVQLCYDSN-IAGOWNOFSA-N 1 0 364.453 2.801 20 30 FEEDRO C[C@H](C#N)Oc1ccc(CN2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)cc1 ZINC000370711137 556946702 /nfs/dbraw/zinc/94/67/02/556946702.db2.gz WBNLIHNDGOMMPY-DBXWQHBBSA-N 1 0 356.514 2.435 20 30 FEEDRO C=CCOc1ccc(C(=O)NC[C@@H]2CCC[C@H]2[NH+]2CCOCC2)cc1OC ZINC000370760717 556960774 /nfs/dbraw/zinc/96/07/74/556960774.db2.gz SRTFYVSIZNCNLC-ZWKOTPCHSA-N 1 0 374.481 2.491 20 30 FEEDRO N#Cc1ccc(C(=O)NCC(=O)N2CCC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000370771041 556962812 /nfs/dbraw/zinc/96/28/12/556962812.db2.gz CYISLXBKVDVQQK-SFHVURJKSA-N 1 0 368.481 2.013 20 30 FEEDRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)N[C@@H](CCC#N)c3ccccc3)CC2)C1 ZINC000370879732 557000075 /nfs/dbraw/zinc/00/00/75/557000075.db2.gz XZXUPKSGCXJAOQ-UXHICEINSA-N 1 0 369.513 2.453 20 30 FEEDRO N#C[C@H]1CN(C(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CCN1C1CC1 ZINC000370965923 557030051 /nfs/dbraw/zinc/03/00/51/557030051.db2.gz BKLRCDMPWJKQOO-QUCCMNQESA-N 1 0 352.482 2.097 20 30 FEEDRO C[C@@H]1CC(=O)NCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000371183135 557100060 /nfs/dbraw/zinc/10/00/60/557100060.db2.gz HXWZQXHXGTZDEO-GFCCVEGCSA-N 1 0 360.483 2.038 20 30 FEEDRO C#CCCOc1ccc(C[N@H+]2CCCN(C(=O)[C@@H]3CCCO3)CC2)cc1 ZINC000371404169 557175246 /nfs/dbraw/zinc/17/52/46/557175246.db2.gz ITYUTALMZXFPBJ-FQEVSTJZSA-N 1 0 356.466 2.302 20 30 FEEDRO COCCC[N@@H+]1CCCN([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000371487306 557196885 /nfs/dbraw/zinc/19/68/85/557196885.db2.gz FIZXRIMRBRPABR-FQEVSTJZSA-N 1 0 370.497 2.098 20 30 FEEDRO C[N@@H+]1CC[C@H]2CCN(S(=O)(=O)c3ccc(C#N)cc3C(F)(F)F)C[C@H]21 ZINC000371505383 557203758 /nfs/dbraw/zinc/20/37/58/557203758.db2.gz IXDNJDMMVNYEGN-GXTWGEPZSA-N 1 0 373.400 2.292 20 30 FEEDRO C=CCSCCNC(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC000371739101 557279715 /nfs/dbraw/zinc/27/97/15/557279715.db2.gz JJVZIWUEYSHJKN-GDBMZVCRSA-N 1 0 351.520 2.021 20 30 FEEDRO N#Cc1cccc(CNC(=O)CN2CC[C@@H](Oc3ccc(F)cc3)C2)c1 ZINC000371753246 557283593 /nfs/dbraw/zinc/28/35/93/557283593.db2.gz NSGAVKPJIWCFNK-LJQANCHMSA-N 1 0 353.397 2.467 20 30 FEEDRO Cc1cc(C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)ncc1C#N ZINC000518710497 562116883 /nfs/dbraw/zinc/11/68/83/562116883.db2.gz UENWHPZZYQDTQZ-UHFFFAOYSA-N 1 0 356.470 2.274 20 30 FEEDRO C#CCOc1ccc(C[NH+]2CCC(CC(=O)N3CCOCC3)CC2)cc1 ZINC000372414272 557465298 /nfs/dbraw/zinc/46/52/98/557465298.db2.gz ZSICPFFVMQBVDO-UHFFFAOYSA-N 1 0 356.466 2.160 20 30 FEEDRO C=CCn1c(Cc2nc(C)cs2)nnc1N1CC[NH+](CC2CC2)CC1 ZINC000519606380 562136703 /nfs/dbraw/zinc/13/67/03/562136703.db2.gz YUECPSHQADBJJD-UHFFFAOYSA-N 1 0 358.515 2.352 20 30 FEEDRO CCOc1ccc(C#N)cc1NC(=O)N1CCC[N@H+](CC(C)(C)O)CC1 ZINC000372901643 557585020 /nfs/dbraw/zinc/58/50/20/557585020.db2.gz CTDFZDWTVGAQQB-UHFFFAOYSA-N 1 0 360.458 2.267 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2CCC[C@@H]3C[NH2+]CCC[C@@H]32)cc1Cl ZINC000373548924 557716342 /nfs/dbraw/zinc/71/63/42/557716342.db2.gz PXALHVMHJMFMOH-CJNGLKHVSA-N 1 0 353.875 2.364 20 30 FEEDRO Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)cc1C#N ZINC000374134869 557829426 /nfs/dbraw/zinc/82/94/26/557829426.db2.gz ATAWHGQWLQIVEH-QFBILLFUSA-N 1 0 351.454 2.413 20 30 FEEDRO CCCCCCCS(=O)(=O)N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000374236272 557848248 /nfs/dbraw/zinc/84/82/48/557848248.db2.gz ADFPXSRNYBWCRL-SFHVURJKSA-N 1 0 359.580 2.387 20 30 FEEDRO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@@H]1C[C@H](O)c1cnn(C)c1 ZINC000374306503 557862569 /nfs/dbraw/zinc/86/25/69/557862569.db2.gz DWPVLIFMQUKDKD-ZMYBRWDISA-N 1 0 367.453 2.207 20 30 FEEDRO C=CCS(=O)(=O)CC[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000374647860 557911667 /nfs/dbraw/zinc/91/16/67/557911667.db2.gz OVRAREVRWAKXKW-GOOCMWNKSA-N 1 0 358.504 2.107 20 30 FEEDRO N#Cc1ccc(OC[C@@H](O)C[NH+]2CCC(c3noc(C4CC4)n3)CC2)cc1 ZINC000375161249 557985539 /nfs/dbraw/zinc/98/55/39/557985539.db2.gz RFDUODLFSPEFAV-KRWDZBQOSA-N 1 0 368.437 2.438 20 30 FEEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH2+][C@@H]2CCC(=O)N[C@@H]2C2CC2)c1 ZINC000375275039 558002968 /nfs/dbraw/zinc/00/29/68/558002968.db2.gz BZJPLJAWRHTQJK-WIYYLYMNSA-N 1 0 368.481 2.197 20 30 FEEDRO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H](Nc3cc(OC)cc(OC)c3)C2)C1=O ZINC000375615552 558057413 /nfs/dbraw/zinc/05/74/13/558057413.db2.gz ZUDZOFOHGORRRJ-DNVCBOLYSA-N 1 0 359.470 2.367 20 30 FEEDRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)C[C@H](CC#N)c3ccccc3)CC2)C1 ZINC000375694212 558068811 /nfs/dbraw/zinc/06/88/11/558068811.db2.gz WIDOGODAMUYIBV-PMACEKPBSA-N 1 0 354.498 2.312 20 30 FEEDRO N#Cc1ccc(C[NH2+]C[C@H]2CCN(S(=O)(=O)c3cccs3)C2)cc1 ZINC000375738282 558074907 /nfs/dbraw/zinc/07/49/07/558074907.db2.gz MGOLQHFUKYJOAG-MRXNPFEDSA-N 1 0 361.492 2.420 20 30 FEEDRO CCc1nnc(N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)c(C#N)c1CC ZINC000375874804 558092274 /nfs/dbraw/zinc/09/22/74/558092274.db2.gz RSTWXCCJQPRAKA-INIZCTEOSA-N 1 0 356.518 2.078 20 30 FEEDRO N#Cc1ccc(N2CCC([NH2+]C[C@@H]3CN4CCCC[C@H]4CO3)CC2)cc1 ZINC000375896759 558095592 /nfs/dbraw/zinc/09/55/92/558095592.db2.gz ZUOBGTDPYJSCLF-LEWJYISDSA-N 1 0 354.498 2.370 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N2CCC3(C[C@H]3c3nnc(C)o3)CC2)CC1 ZINC000376229233 558144491 /nfs/dbraw/zinc/14/44/91/558144491.db2.gz XGGIBSHWSVASAL-INIZCTEOSA-N 1 0 359.474 2.308 20 30 FEEDRO CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)NCC3CCC(C#N)CC3)C2)CC1 ZINC000376383765 558166248 /nfs/dbraw/zinc/16/62/48/558166248.db2.gz IEJQPFIUEYHBOR-CTWPCTMYSA-N 1 0 361.534 2.126 20 30 FEEDRO C=CCOCCNC(=O)C(=O)Nc1cccc2c1C[N@H+]([C@H](C)C(C)C)C2 ZINC000376839923 558228195 /nfs/dbraw/zinc/22/81/95/558228195.db2.gz ANFYKKPGVWQNCN-OAHLLOKOSA-N 1 0 359.470 2.304 20 30 FEEDRO C=CCN(C(=O)NCC[C@@H]1CCC(=O)N1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000377265185 558301625 /nfs/dbraw/zinc/30/16/25/558301625.db2.gz LVCOKKRBOJPTTM-RBUKOAKNSA-N 1 0 370.497 2.127 20 30 FEEDRO C#CCCS(=O)(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1ccc(OC)cc1 ZINC000377310599 558312102 /nfs/dbraw/zinc/31/21/02/558312102.db2.gz LFYDFQAYJPILIK-AEFFLSMTSA-N 1 0 350.484 2.021 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@@H]1CCC(=O)N[C@@H]1C1CC1 ZINC000377404156 558334404 /nfs/dbraw/zinc/33/44/04/558334404.db2.gz XPBLWOMUCLHAOU-FDQGKXFDSA-N 1 0 361.511 2.298 20 30 FEEDRO N#Cc1cccnc1N1CCC[N@@H+](C[C@@H](O)COCc2cccs2)CC1 ZINC000377453858 558343725 /nfs/dbraw/zinc/34/37/25/558343725.db2.gz SNLWKWVAJXUGFB-QGZVFWFLSA-N 1 0 372.494 2.105 20 30 FEEDRO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@@H](N2CCCC2=O)C1 ZINC000522098532 562191324 /nfs/dbraw/zinc/19/13/24/562191324.db2.gz OJGUONTZRGRBNT-MOPGFXCFSA-N 1 0 358.482 2.242 20 30 FEEDRO CN1CC[C@@H]([NH2+]CCS(=O)(=O)c2cccc(C#N)c2)[C@H]1c1ccccc1 ZINC000377650467 558386763 /nfs/dbraw/zinc/38/67/63/558386763.db2.gz IZAPGWKZPJDTJT-WOJBJXKFSA-N 1 0 369.490 2.367 20 30 FEEDRO N#Cc1cccc(CC[NH2+][C@H]2CCCc3ccc(S(N)(=O)=O)cc32)c1 ZINC000377746686 558410049 /nfs/dbraw/zinc/41/00/49/558410049.db2.gz PXFSQZLINXYGKP-IBGZPJMESA-N 1 0 355.463 2.415 20 30 FEEDRO CN(C1CCN(c2cc[nH+]cc2)CC1)S(=O)(=O)CCC(C)(C)C#N ZINC000377866440 558437646 /nfs/dbraw/zinc/43/76/46/558437646.db2.gz XPPAVLOXQODMIF-UHFFFAOYSA-N 1 0 350.488 2.252 20 30 FEEDRO CCc1nc(CN2CCC[C@@H]([N@H+](C)C[C@@H](O)c3ccc(C#N)cc3)C2)no1 ZINC000378142236 558489933 /nfs/dbraw/zinc/48/99/33/558489933.db2.gz LTLVYFOLRPAXBZ-QZTJIDSGSA-N 1 0 369.469 2.133 20 30 FEEDRO C#CCOc1ccccc1C[NH+]1CCC(NC(=O)c2cc(C)on2)CC1 ZINC000378351275 558536064 /nfs/dbraw/zinc/53/60/64/558536064.db2.gz SNBFBFHCEKREJL-UHFFFAOYSA-N 1 0 353.422 2.389 20 30 FEEDRO COc1cc(O)c(C[NH2+]C2CCN(c3ccc(C#N)cn3)CC2)cc1OC ZINC000378456301 558561320 /nfs/dbraw/zinc/56/13/20/558561320.db2.gz TXBAHBYDYAUWQR-UHFFFAOYSA-N 1 0 368.437 2.435 20 30 FEEDRO CCN1CC[NH+](C[C@@H](C)CNC(=O)[C@@]2(C#N)CCc3ccccc3C2)CC1 ZINC000378463435 558562951 /nfs/dbraw/zinc/56/29/51/558562951.db2.gz QLTOTZZCIKUZED-AVRDEDQJSA-N 1 0 368.525 2.075 20 30 FEEDRO Cn1cc(C[NH+]2CCC(C(=O)NC3CC3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000378499631 558570657 /nfs/dbraw/zinc/57/06/57/558570657.db2.gz UZSXEKWREUKLOZ-UHFFFAOYSA-N 1 0 363.465 2.449 20 30 FEEDRO CCN(C[C@@H](C)C#N)S(=O)(=O)NC(C)(C)CC[NH+]1CCCCCC1 ZINC000409513927 558699795 /nfs/dbraw/zinc/69/97/95/558699795.db2.gz OKABCLAWRAWQEX-INIZCTEOSA-N 1 0 358.552 2.347 20 30 FEEDRO CCN(C[C@H](C)C#N)S(=O)(=O)N(CCC[NH+](C)C)Cc1ccccc1 ZINC000409550973 558702623 /nfs/dbraw/zinc/70/26/23/558702623.db2.gz HYCQEZSBOVNDBT-QGZVFWFLSA-N 1 0 366.531 2.167 20 30 FEEDRO C[C@H](C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1)n1cnc(C#N)n1 ZINC000409843310 558722720 /nfs/dbraw/zinc/72/27/20/558722720.db2.gz HHVIMWUTJHGYHD-OAHLLOKOSA-N 1 0 368.441 2.214 20 30 FEEDRO CCOCCCNC(=O)C1CC[NH+](CCCC2(C#N)CCOCC2)CC1 ZINC000410314193 558751162 /nfs/dbraw/zinc/75/11/62/558751162.db2.gz FSOTXTOSCQJXBL-UHFFFAOYSA-N 1 0 365.518 2.342 20 30 FEEDRO C[C@H](C#N)CN(C)C(=O)C(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000410900378 558821040 /nfs/dbraw/zinc/82/10/40/558821040.db2.gz QMMUHAILIPXDQP-SJORKVTESA-N 1 0 362.518 2.108 20 30 FEEDRO CCO[C@@H]1COCC[C@@H]1[NH2+]CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000411556407 558916597 /nfs/dbraw/zinc/91/65/97/558916597.db2.gz IMYFKARYMGQPJC-JKSUJKDBSA-N 1 0 351.834 2.324 20 30 FEEDRO CN(CC(=O)OC(C)(C)C)[C@H]1C[N@H+](CCC2(C#N)CCCCC2)C[C@H]1O ZINC000411678043 558942195 /nfs/dbraw/zinc/94/21/95/558942195.db2.gz UKESFUJEMKDGQO-DLBZAZTESA-N 1 0 365.518 2.169 20 30 FEEDRO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+]CC(=O)NC1(C#N)CCC1 ZINC000525885918 562258493 /nfs/dbraw/zinc/25/84/93/562258493.db2.gz MSQHSVHKQUISIO-JTQLQIEISA-N 1 0 357.380 2.275 20 30 FEEDRO C=CC[C@@H](C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1)c1ccccc1 ZINC000412469337 559037662 /nfs/dbraw/zinc/03/76/62/559037662.db2.gz WVXBZTCOEUJHPN-HXUWFJFHSA-N 1 0 371.525 2.259 20 30 FEEDRO Cc1cc(NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)c(C#N)cc1[N+](=O)[O-] ZINC000413109811 559078887 /nfs/dbraw/zinc/07/88/87/559078887.db2.gz NOWPJBVDAFELQZ-INIZCTEOSA-N 1 0 359.430 2.130 20 30 FEEDRO Cc1cc(N2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)c(C#N)cc1[N+](=O)[O-] ZINC000413215344 559089150 /nfs/dbraw/zinc/08/91/50/559089150.db2.gz AEOLJMVEHBQVOP-OAHLLOKOSA-N 1 0 357.458 2.380 20 30 FEEDRO Cc1cc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)c(C#N)cc1[N+](=O)[O-] ZINC000413294669 559096319 /nfs/dbraw/zinc/09/63/19/559096319.db2.gz OPMSOWYJMQCCPI-MQVJKMGUSA-N 1 0 371.441 2.270 20 30 FEEDRO C=CCN(CC=C)C(=O)NCc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000413840208 559134179 /nfs/dbraw/zinc/13/41/79/559134179.db2.gz WSSKLZNZDNFCKQ-UHFFFAOYSA-N 1 0 370.497 2.268 20 30 FEEDRO CN(CCC#N)C[C@H](O)CSc1n[nH]c(-c2cc(F)cc(F)c2)n1 ZINC000414155085 559150932 /nfs/dbraw/zinc/15/09/32/559150932.db2.gz SQYAHXMFBGTYHC-ZDUSSCGKSA-N 1 0 353.398 2.048 20 30 FEEDRO N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000414900727 559194146 /nfs/dbraw/zinc/19/41/46/559194146.db2.gz IPAZIISKHPIPTO-MOPGFXCFSA-N 1 0 362.433 2.382 20 30 FEEDRO C=CCOc1c(Br)cc(CN(C)C[C@@H](O)C[NH3+])cc1OCC ZINC000415051202 559202618 /nfs/dbraw/zinc/20/26/18/559202618.db2.gz GSVGXRKSKQEHJP-ZDUSSCGKSA-N 1 0 373.291 2.164 20 30 FEEDRO C[NH2+]CCCNC(=O)C(=O)Nc1sc2c(c1C#N)CC[C@H](C(C)C)C2 ZINC000415311280 559223004 /nfs/dbraw/zinc/22/30/04/559223004.db2.gz ZIARVPLOBNTJEG-LBPRGKRZSA-N 1 0 362.499 2.045 20 30 FEEDRO C[C@H](NC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)[C@H]1CCC[NH2+]C1 ZINC000415350881 559226418 /nfs/dbraw/zinc/22/64/18/559226418.db2.gz IJZGECRMMSNSSH-JQWIXIFHSA-N 1 0 368.359 2.020 20 30 FEEDRO CCCN(C(=O)C(=O)Nc1ccccc1SCCC#N)[C@@H]1CC[NH2+]C1 ZINC000415384741 559229700 /nfs/dbraw/zinc/22/97/00/559229700.db2.gz ABNBATTVQMLKFA-CQSZACIVSA-N 1 0 360.483 2.231 20 30 FEEDRO C[NH2+]CC1CCN(C(=O)C(=O)Nc2ccccc2S[C@H](C)CC#N)CC1 ZINC000415408132 559232477 /nfs/dbraw/zinc/23/24/77/559232477.db2.gz ZGNWDTKFESJGLS-CQSZACIVSA-N 1 0 374.510 2.477 20 30 FEEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000415414495 559232908 /nfs/dbraw/zinc/23/29/08/559232908.db2.gz ZUSVOLPBQDLGLP-GJZGRUSLSA-N 1 0 374.510 2.383 20 30 FEEDRO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000415428043 559235387 /nfs/dbraw/zinc/23/53/87/559235387.db2.gz NZVSUZFCHTXEID-KBPBESRZSA-N 1 0 362.499 2.366 20 30 FEEDRO C[NH2+]CCC1CCN(C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CC1 ZINC000415436483 559236659 /nfs/dbraw/zinc/23/66/59/559236659.db2.gz JVMLUOQIJCXUNP-UHFFFAOYSA-N 1 0 370.432 2.736 20 30 FEEDRO N#CCc1ccc(NC(=O)C(=O)N2CCC([NH2+]CC3CC3)CC2)c(Cl)c1 ZINC000415453424 559238885 /nfs/dbraw/zinc/23/88/85/559238885.db2.gz QJZISHQVWWAUOR-UHFFFAOYSA-N 1 0 374.872 2.335 20 30 FEEDRO N#Cc1ccc(-n2ccc(NC(=O)NCC3([NH3+])CCCCCC3)n2)c(F)c1 ZINC000415466248 559240191 /nfs/dbraw/zinc/24/01/91/559240191.db2.gz TXMIDQWJUMBMLQ-UHFFFAOYSA-N 1 0 370.432 3.056 20 30 FEEDRO CCCC[C@H](C[NH3+])NC(=O)C(=O)Nc1nc(-c2cccc(C#N)c2)cs1 ZINC000415505114 559244652 /nfs/dbraw/zinc/24/46/52/559244652.db2.gz XDATYVZBLHKHOM-CQSZACIVSA-N 1 0 371.466 2.254 20 30 FEEDRO N#Cc1ccc(NC(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)cc1Cl ZINC000415544111 559248087 /nfs/dbraw/zinc/24/80/87/559248087.db2.gz SUOXSVWDWPYBJK-INIZCTEOSA-N 1 0 360.845 2.141 20 30 FEEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000415591178 559253319 /nfs/dbraw/zinc/25/33/19/559253319.db2.gz HRLSLBPRPMTQNH-IFXJQAMLSA-N 1 0 372.494 2.089 20 30 FEEDRO C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)NCCC[C@@H]2CCC[NH2+]2)cc1 ZINC000415597665 559254110 /nfs/dbraw/zinc/25/41/10/559254110.db2.gz JNJPEVFIGUFWDN-KBPBESRZSA-N 1 0 364.471 2.026 20 30 FEEDRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)Nc1ccc(S(=O)(=O)[C@@H](C)C#N)cc1 ZINC000415601152 559254236 /nfs/dbraw/zinc/25/42/36/559254236.db2.gz PNPAYECUOGLXDW-BBRMVZONSA-N 1 0 366.487 2.209 20 30 FEEDRO C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000415603738 559254366 /nfs/dbraw/zinc/25/43/66/559254366.db2.gz UNTAYSXOVVFHRW-XJKCOSOUSA-N 1 0 364.471 2.011 20 30 FEEDRO CO[C@H]1CCN(C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)[C@@H](C[NH3+])C1 ZINC000415661623 559259259 /nfs/dbraw/zinc/25/92/59/559259259.db2.gz VQWMOAVWCUDIDR-OLZOCXBDSA-N 1 0 372.347 2.427 20 30 FEEDRO N#CCCSc1ccccc1NC(=O)C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000415735920 559266002 /nfs/dbraw/zinc/26/60/02/559266002.db2.gz ZDOIODAXSRJORK-IBGZPJMESA-N 1 0 372.494 2.233 20 30 FEEDRO O=C(Nc1ccccc1C#Cc1ccccc1)C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000415775831 559270179 /nfs/dbraw/zinc/27/01/79/559270179.db2.gz HFQNPCKSRYBHGL-WOJBJXKFSA-N 1 0 373.456 2.235 20 30 FEEDRO CCc1ccccc1[C@H]([NH3+])CNC(=O)C(=O)Nc1cccc(C#N)c1C ZINC000415833358 559276508 /nfs/dbraw/zinc/27/65/08/559276508.db2.gz HQBBGXTWVPLBDE-QGZVFWFLSA-N 1 0 350.422 2.184 20 30 FEEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000415859170 559279320 /nfs/dbraw/zinc/27/93/20/559279320.db2.gz AKKJQQCRHVKETJ-KBPBESRZSA-N 1 0 360.483 2.278 20 30 FEEDRO O=C(Nc1ccccc1C#Cc1ccccc1)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000415868622 559280112 /nfs/dbraw/zinc/28/01/12/559280112.db2.gz METFFSBOHKYKKB-WOJBJXKFSA-N 1 0 373.456 2.093 20 30 FEEDRO C[C@@H](C#N)S(=O)(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000416481893 559316509 /nfs/dbraw/zinc/31/65/09/559316509.db2.gz WIVUNYJRMIGWKT-FFZOFVMBSA-N 1 0 369.490 2.486 20 30 FEEDRO N#Cc1ccc(N2CCC[C@H](NC(=O)N3CCC[C@H](CC[NH3+])C3)C2)c(F)c1 ZINC000417580958 559367580 /nfs/dbraw/zinc/36/75/80/559367580.db2.gz RWVDHKJNDDTXQZ-WBVHZDCISA-N 1 0 373.476 2.437 20 30 FEEDRO N#Cc1ccc(N2CCC[C@H](NC(=O)N3CCC(C[NH3+])CC3)C2)c(F)c1 ZINC000417580646 559367591 /nfs/dbraw/zinc/36/75/91/559367591.db2.gz RECQFFQYTMYTHW-INIZCTEOSA-N 1 0 359.449 2.046 20 30 FEEDRO CN(C)C(=O)c1ccccc1C[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000418084061 559389674 /nfs/dbraw/zinc/38/96/74/559389674.db2.gz USQDQTGFUDYIDH-KRWDZBQOSA-N 1 0 350.422 2.308 20 30 FEEDRO N#Cc1ccc(N2CCN(C(=O)N[C@@H](C[NH3+])C3CCCCC3)CC2)c(F)c1 ZINC000418372837 559399415 /nfs/dbraw/zinc/39/94/15/559399415.db2.gz ZDFUKXQNXURMPG-SFHVURJKSA-N 1 0 373.476 2.437 20 30 FEEDRO CCCC[C@H](C[NH3+])NC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000418473569 559403030 /nfs/dbraw/zinc/40/30/30/559403030.db2.gz UANKAJMZMQWHRN-GOSISDBHSA-N 1 0 371.485 2.436 20 30 FEEDRO N#CC1(F)CCN(C(=O)N[C@@H]2C[NH2+]CC[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000418571756 559406843 /nfs/dbraw/zinc/40/68/43/559406843.db2.gz RSTBQOAZVGEIRY-XJKSGUPXSA-N 1 0 366.387 2.448 20 30 FEEDRO C=CCN(CCOC)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000418575655 559406847 /nfs/dbraw/zinc/40/68/47/559406847.db2.gz WVWKUPJZTJLPCK-RHSMWYFYSA-N 1 0 353.413 2.254 20 30 FEEDRO CC(C)c1ccc([C@@H]([NH3+])CNC(=O)C(=O)NCC2CCC(C#N)CC2)cc1 ZINC000418893817 559421225 /nfs/dbraw/zinc/42/12/25/559421225.db2.gz QCGADLJAKUCRQE-RJYAGPCLSA-N 1 0 370.497 2.372 20 30 FEEDRO N#CC1(CNC(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)CCC1 ZINC000419457489 559443282 /nfs/dbraw/zinc/44/32/82/559443282.db2.gz WSUHITYFBHLLRB-UHFFFAOYSA-N 1 0 356.470 2.136 20 30 FEEDRO C=CCC[C@H](NC(=O)C(=O)N[C@H](C)C[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000419473605 559444334 /nfs/dbraw/zinc/44/43/34/559444334.db2.gz LLPSBHWZWHZUPI-RISCZKNCSA-N 1 0 357.376 2.292 20 30 FEEDRO C=C(C)[C@H](NC(=O)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+])c1ccc(F)c(F)c1 ZINC000419668887 559452811 /nfs/dbraw/zinc/45/28/11/559452811.db2.gz ATJFTPCFBAGOPA-XKQJLSEDSA-N 1 0 365.424 2.332 20 30 FEEDRO C=C(C)[C@@H](NC(=O)C(=O)NC[C@]1(C)CCC[NH2+]C1)c1ccc(F)c(F)c1 ZINC000419677829 559453468 /nfs/dbraw/zinc/45/34/68/559453468.db2.gz NHFPKVXTCQVRSW-VQIMIIECSA-N 1 0 365.424 2.204 20 30 FEEDRO C[C@H]1CCN(S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)[C@H](C[NH3+])C1 ZINC000420426335 559486887 /nfs/dbraw/zinc/48/68/87/559486887.db2.gz UQMNYLPUSBBBOK-JQWIXIFHSA-N 1 0 361.389 2.325 20 30 FEEDRO N#C[C@@H](c1ccc(Br)cc1)N1CC[NH+](C[C@H]2C[C@@H](O)C2)CC1 ZINC000420946953 559513533 /nfs/dbraw/zinc/51/35/33/559513533.db2.gz OEMLRIKEZOQIJR-XKQJLSEDSA-N 1 0 364.287 2.402 20 30 FEEDRO C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)NCCC[NH+]1CCCCC1 ZINC000420981860 559516696 /nfs/dbraw/zinc/51/66/96/559516696.db2.gz XAHLUYXHFAQEFO-LJQANCHMSA-N 1 0 357.498 2.282 20 30 FEEDRO CCOC(=O)c1c(NC(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)c(C#N)cn1CC ZINC000421179338 559529296 /nfs/dbraw/zinc/52/92/96/559529296.db2.gz ZTNIZCXDALJDSP-OCCSQVGLSA-N 1 0 361.446 2.161 20 30 FEEDRO CCOC(=O)c1c(NC(=O)N[C@H](C)C[N@H+](C)C(C)C)c(C#N)cn1CC ZINC000421179720 559529364 /nfs/dbraw/zinc/52/93/64/559529364.db2.gz DGNIUUHUZUBOGC-CYBMUJFWSA-N 1 0 363.462 2.407 20 30 FEEDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C(=O)NCC(C)(C)CC#N)C1 ZINC000422478798 559590883 /nfs/dbraw/zinc/59/08/83/559590883.db2.gz IQEHOUVGTOXUSC-IRXDYDNUSA-N 1 0 362.518 2.155 20 30 FEEDRO C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000422546663 559594272 /nfs/dbraw/zinc/59/42/72/559594272.db2.gz UYORYZSAWUATOX-VQTJNVASSA-N 1 0 369.509 2.234 20 30 FEEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000423022922 559615286 /nfs/dbraw/zinc/61/52/86/559615286.db2.gz IQOXKWIFGSFIPE-RYUDHWBXSA-N 1 0 355.891 2.112 20 30 FEEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@]2(COC)CC[NH2+]C2)cc1 ZINC000423053442 559616546 /nfs/dbraw/zinc/61/65/46/559616546.db2.gz SHMUZIWMJZALIT-HXUWFJFHSA-N 1 0 357.454 2.065 20 30 FEEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000423170630 559621829 /nfs/dbraw/zinc/62/18/29/559621829.db2.gz MKNSBVDTVNGUTJ-GOSISDBHSA-N 1 0 361.486 2.042 20 30 FEEDRO C=CCN(CCc1ccccc1)C(=O)C(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000423188537 559622443 /nfs/dbraw/zinc/62/24/43/559622443.db2.gz NYTLBZSRRNFDFZ-WOJBJXKFSA-N 1 0 369.509 2.092 20 30 FEEDRO C=CCN(CC1CCCCC1)C(=O)C(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000423307227 559625046 /nfs/dbraw/zinc/62/50/46/559625046.db2.gz GGNGHVDWXVFVFG-OALUTQOASA-N 1 0 361.530 2.429 20 30 FEEDRO COC(=O)Cc1sc(NC(=O)[C@@H]([NH3+])CCCC#N)nc1-c1ccccc1 ZINC000424101265 559654767 /nfs/dbraw/zinc/65/47/67/559654767.db2.gz JISSSYLZFNIHOE-ZDUSSCGKSA-N 1 0 372.450 2.485 20 30 FEEDRO CCC(CC)NC(=O)[C@H]1CN(C(=O)[C@@H]([NH3+])CCCC#N)c2ccccc2O1 ZINC000424117408 559655384 /nfs/dbraw/zinc/65/53/84/559655384.db2.gz YNZYLNNLMYZYSU-MAUKXSAKSA-N 1 0 372.469 2.107 20 30 FEEDRO COC(=O)[C@H](CNC(=O)[C@H]([NH3+])CCCC#N)Cc1cccc2ccccc21 ZINC000424122321 559655546 /nfs/dbraw/zinc/65/55/46/559655546.db2.gz JCXHGUFYVFFRDX-PKOBYXMFSA-N 1 0 367.449 2.309 20 30 FEEDRO N#CCCC[C@H]([NH3+])C(=O)N1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000424134959 559655747 /nfs/dbraw/zinc/65/57/47/559655747.db2.gz LIJWNPAVLUXEFY-INIZCTEOSA-N 1 0 352.841 2.144 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1ccc(OCC(=O)N2CCCC2)c(OC)c1 ZINC000424170124 559656813 /nfs/dbraw/zinc/65/68/13/559656813.db2.gz ISUBOJWFUDKOTM-ROUUACIJSA-N 1 0 374.481 2.377 20 30 FEEDRO N#Cc1ccc2ncc(C[NH2+]CCNC(=O)CCCc3ccccc3)n2c1 ZINC000424193802 559657317 /nfs/dbraw/zinc/65/73/17/559657317.db2.gz WKIPJWMVHBOVHQ-UHFFFAOYSA-N 1 0 361.449 2.435 20 30 FEEDRO N#Cc1ccc(CS(=O)(=O)Cc2nc(C3([NH3+])CCCCC3)no2)cc1 ZINC000424339240 559661477 /nfs/dbraw/zinc/66/14/77/559661477.db2.gz CBZRCOZLITUZAR-UHFFFAOYSA-N 1 0 360.439 2.174 20 30 FEEDRO C=CCCn1cc(C(=O)NC[C@H](c2ccccc2OC)[NH+]2CCCC2)nn1 ZINC000424548446 559668959 /nfs/dbraw/zinc/66/89/59/559668959.db2.gz UKBXJTHYHXZASL-GOSISDBHSA-N 1 0 369.469 2.430 20 30 FEEDRO C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424559059 559669361 /nfs/dbraw/zinc/66/93/61/559669361.db2.gz XHEFZKIDNYGCAV-HKUYNNGSSA-N 1 0 369.509 2.281 20 30 FEEDRO C[N@@H+]1C[C@@H]2CCCN(S(=O)(=O)c3ccc(C#N)c(C(F)(F)F)c3)[C@@H]2C1 ZINC000425214587 559691710 /nfs/dbraw/zinc/69/17/10/559691710.db2.gz JSZXMHFOLVZVGA-SWLSCSKDSA-N 1 0 373.400 2.292 20 30 FEEDRO Cc1cc(N2CCC(C(=O)NCCC[NH+]3CCCCC3)CC2)c(C#N)cn1 ZINC000425215075 559691825 /nfs/dbraw/zinc/69/18/25/559691825.db2.gz LQJDGMRAPJGWQR-UHFFFAOYSA-N 1 0 369.513 2.470 20 30 FEEDRO C=CCn1cc(CNC(=O)NC[C@@H](c2ccc(C)o2)[NH+]2CCCC2)nn1 ZINC000425434110 559702139 /nfs/dbraw/zinc/70/21/39/559702139.db2.gz OGZMBKVRDREEMC-INIZCTEOSA-N 1 0 358.446 2.002 20 30 FEEDRO N#Cc1ccc(NC(=O)C[NH2+][C@@H](C2CCOCC2)C2(CO)CCC2)cc1 ZINC000425545937 559708914 /nfs/dbraw/zinc/70/89/14/559708914.db2.gz RLACAFPCUWQXTR-IBGZPJMESA-N 1 0 357.454 2.044 20 30 FEEDRO N#C[C@H]1CC[C@@H](NC(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)C1 ZINC000425608215 559711515 /nfs/dbraw/zinc/71/15/15/559711515.db2.gz ICWVUGRRPLXJPD-ZWKOTPCHSA-N 1 0 356.470 2.135 20 30 FEEDRO C=CCn1cc(CNC(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)cc2)nn1 ZINC000425880857 559723893 /nfs/dbraw/zinc/72/38/93/559723893.db2.gz SJRCAHVUPNXYBO-MRXNPFEDSA-N 1 0 362.865 2.220 20 30 FEEDRO C[C@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000425883007 559723941 /nfs/dbraw/zinc/72/39/41/559723941.db2.gz IYNANDKLEQCDPE-MRXNPFEDSA-N 1 0 370.497 2.316 20 30 FEEDRO CCCn1ccnc1CCC[N@H+](C)CC(=O)NCc1cccc(C#N)c1 ZINC000429241472 559793460 /nfs/dbraw/zinc/79/34/60/559793460.db2.gz MFBRJKXARZYRTM-UHFFFAOYSA-N 1 0 353.470 2.346 20 30 FEEDRO CC(C)[C@H](C#N)N1CCN(C(=O)C[NH2+]C(C)(C)c2ccccc2F)CC1 ZINC000429239551 559793489 /nfs/dbraw/zinc/79/34/89/559793489.db2.gz VBKMLTQBZWALAL-SFHVURJKSA-N 1 0 360.477 2.343 20 30 FEEDRO C=CCN1C(=O)c2ccc(C(=O)N3CCC([NH2+]CC4CC4)CC3)cc2C1=O ZINC000429602729 559802262 /nfs/dbraw/zinc/80/22/62/559802262.db2.gz ZMHNXLYOWZYBLZ-UHFFFAOYSA-N 1 0 367.449 2.073 20 30 FEEDRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)c2ccc(C#N)o2)CC1 ZINC000429858715 559807235 /nfs/dbraw/zinc/80/72/35/559807235.db2.gz JVWWAMGFYHEVLT-UHFFFAOYSA-N 1 0 352.438 2.219 20 30 FEEDRO C[NH+](C)CCn1ccc(=NC(=O)N[C@H](CCCC#N)c2ccccc2)[nH]1 ZINC000432975653 559869112 /nfs/dbraw/zinc/86/91/12/559869112.db2.gz WFWFMMPOZMNRFE-QGZVFWFLSA-N 1 0 354.458 3.001 20 30 FEEDRO CCOC(=O)C1(C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)CC1 ZINC000434981429 559913793 /nfs/dbraw/zinc/91/37/93/559913793.db2.gz GKCIFCSKKMEDEJ-UHFFFAOYSA-N 1 0 353.426 2.292 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1nc(C(C)(C)C)cs1 ZINC000435020732 559914531 /nfs/dbraw/zinc/91/45/31/559914531.db2.gz QXSMZFHJRQCQNP-UHFFFAOYSA-N 1 0 365.503 2.073 20 30 FEEDRO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NC1CC[NH+](CCOC(C)C)CC1 ZINC000437986899 559972532 /nfs/dbraw/zinc/97/25/32/559972532.db2.gz NTEOJTYOGDJWKO-SJLPKXTDSA-N 1 0 353.507 2.156 20 30 FEEDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N=c2ccn(CCC#N)[nH]2)C1 ZINC000438334685 559977490 /nfs/dbraw/zinc/97/74/90/559977490.db2.gz MPMRZHSGGLLDLX-RDJZCZTQSA-N 1 0 352.442 2.754 20 30 FEEDRO C[NH+](C)CC1(NC(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)CCC1 ZINC000439383464 559993146 /nfs/dbraw/zinc/99/31/46/559993146.db2.gz XBAZKEYDTAMOEU-UHFFFAOYSA-N 1 0 372.860 3.003 20 30 FEEDRO CC(C)(C)OC(=O)CN[C@]1(C)CC[N@H+](CCOc2ccc(C#N)cc2)C1 ZINC000440489913 560011990 /nfs/dbraw/zinc/01/19/90/560011990.db2.gz GIBUIRZFJJVGSI-HXUWFJFHSA-N 1 0 359.470 2.333 20 30 FEEDRO N#Cc1cc(Br)cc(S(=O)(=O)N2CCC[C@@H](CC[NH3+])C2)c1 ZINC000440830804 560019183 /nfs/dbraw/zinc/01/91/83/560019183.db2.gz YFDMAZAETJPISB-NSHDSACASA-N 1 0 372.288 2.070 20 30 FEEDRO N#Cc1cccc(-c2nnc(CN3CCC[C@@H]3[C@@H](O)C(F)(F)F)o2)c1 ZINC000441316733 560028522 /nfs/dbraw/zinc/02/85/22/560028522.db2.gz UTYFXVCZGITRCL-TZMCWYRMSA-N 1 0 352.316 2.496 20 30 FEEDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NS(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000442107054 560044065 /nfs/dbraw/zinc/04/40/65/560044065.db2.gz DEUMHPLINFQBRF-MCIONIFRSA-N 1 0 353.463 2.342 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)NCCCNC(=O)c2ccccc2)CC1 ZINC000527487445 562289714 /nfs/dbraw/zinc/28/97/14/562289714.db2.gz IEKBEDFLLINYNA-UHFFFAOYSA-N 1 0 358.486 2.146 20 30 FEEDRO C[C@H]1CCC[C@H](C)[NH+]1CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000443063289 560068724 /nfs/dbraw/zinc/06/87/24/560068724.db2.gz ACWIEYGWDIMNRL-STQMWFEESA-N 1 0 366.443 2.008 20 30 FEEDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NS(=O)(=O)c1ccc(F)cc1C#N ZINC000443357939 560081895 /nfs/dbraw/zinc/08/18/95/560081895.db2.gz FOBMNRIMZAKIFE-MGPQQGTHSA-N 1 0 353.463 2.342 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNS(=O)(=O)c1ccc2c(c1)OCO2)C(C)C ZINC000444106079 560101931 /nfs/dbraw/zinc/10/19/31/560101931.db2.gz NOCZNJRNMXUSOL-INIZCTEOSA-N 1 0 366.483 2.392 20 30 FEEDRO CC[N@H+](CCNS(=O)(=O)c1cc(Br)cc(C#N)c1)C(C)C ZINC000444165563 560103677 /nfs/dbraw/zinc/10/36/77/560103677.db2.gz IFIQOABJBYXSJF-UHFFFAOYSA-N 1 0 374.304 2.329 20 30 FEEDRO C[NH+](C)C[C@H](O)COc1ccc(NC(=O)c2cccc(CC#N)c2)cc1 ZINC000444547473 560115457 /nfs/dbraw/zinc/11/54/57/560115457.db2.gz MYWJRAQTCGHLDV-SFHVURJKSA-N 1 0 353.422 2.306 20 30 FEEDRO CCOC(=O)[C@@H]1CCCN(C(=O)C[N@H+](C)CCCCC(C)(C)C#N)C1 ZINC000444602515 560116280 /nfs/dbraw/zinc/11/62/80/560116280.db2.gz KBLMZPWSQCTDPI-MRXNPFEDSA-N 1 0 351.491 2.440 20 30 FEEDRO C=CCNC(=O)Cc1noc(-c2ccc(N3CC[NH+](C(C)C)CC3)cc2)n1 ZINC000445330924 560131998 /nfs/dbraw/zinc/13/19/98/560131998.db2.gz IHVFSISTIUMNKJ-UHFFFAOYSA-N 1 0 369.469 2.112 20 30 FEEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2cc(C#N)ccc2Cl)C[C@@H]1C ZINC000447229142 560158203 /nfs/dbraw/zinc/15/82/03/560158203.db2.gz GXCZJEFUQPFEET-JSGCOSHPSA-N 1 0 362.861 2.481 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1C(F)(F)F ZINC000447243953 560158537 /nfs/dbraw/zinc/15/85/37/560158537.db2.gz BZDHDMHMNNTYHC-NJZAAPMLSA-N 1 0 373.400 2.325 20 30 FEEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH2+][C@H](CO)[C@@H]2CCCO2)c1 ZINC000447915470 560172872 /nfs/dbraw/zinc/17/28/72/560172872.db2.gz RQHLZCJKIJCUNH-UHOSZYNNSA-N 1 0 359.470 2.068 20 30 FEEDRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)Nc1ccc(C#N)cc1Cl ZINC000448323936 560184365 /nfs/dbraw/zinc/18/43/65/560184365.db2.gz ZVKISBKVQLUTAW-HNNXBMFYSA-N 1 0 362.861 2.387 20 30 FEEDRO COc1ccc([C@H](CNC(=O)c2ccc(C#N)n2C)[NH+]2CCCC2)cc1 ZINC000448570028 560190470 /nfs/dbraw/zinc/19/04/70/560190470.db2.gz BNLUELZLDGEMCF-IBGZPJMESA-N 1 0 352.438 2.472 20 30 FEEDRO C[C@H]1C[C@@]1(C#N)C(=O)NCCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000448739089 560197338 /nfs/dbraw/zinc/19/73/38/560197338.db2.gz SHOOGDGUORNWNR-RXVVDRJESA-N 1 0 354.498 2.250 20 30 FEEDRO Cc1[nH]c(C#N)cc1C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000448857577 560203284 /nfs/dbraw/zinc/20/32/84/560203284.db2.gz GHKJLGPBBBHZGN-HNNXBMFYSA-N 1 0 365.437 2.144 20 30 FEEDRO COc1cc(C[NH2+]Cc2cccc(S(=O)(=O)N(C)C)c2)ccc1C#N ZINC000449472015 560231382 /nfs/dbraw/zinc/23/13/82/560231382.db2.gz DXSWMVAVZBMJDB-UHFFFAOYSA-N 1 0 359.451 2.107 20 30 FEEDRO C=C(C)CC[NH2+]C1CCN(S(=O)(=O)c2ccc(NC(C)=O)cc2)CC1 ZINC000449480419 560231652 /nfs/dbraw/zinc/23/16/52/560231652.db2.gz YLFMWPNLZHMQDX-UHFFFAOYSA-N 1 0 365.499 2.354 20 30 FEEDRO C=CCOc1ccc(C(=O)N2C[C@H](C[NH3+])C3(C2)CCOCC3)cc1OC ZINC000449690037 560237008 /nfs/dbraw/zinc/23/70/08/560237008.db2.gz MWLWPOHMPXUPAA-INIZCTEOSA-N 1 0 360.454 2.088 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)Cc1ccccc1O[C@@H]1CCOC1 ZINC000449800340 560240427 /nfs/dbraw/zinc/24/04/27/560240427.db2.gz BBKTULXLGYHVJP-GOSISDBHSA-N 1 0 359.470 2.091 20 30 FEEDRO CC(C)[N@H+](C)CCNC(=O)COc1ccc(C#N)c(Br)c1 ZINC000449840799 560242134 /nfs/dbraw/zinc/24/21/34/560242134.db2.gz RWMJKZJQNFAUHO-UHFFFAOYSA-N 1 0 354.248 2.156 20 30 FEEDRO C[C@@H]1CN(C(=O)COc2cccc(Br)c2C#N)C[C@@H]1[NH+](C)C ZINC000449988288 560247505 /nfs/dbraw/zinc/24/75/05/560247505.db2.gz SCTREWLMLVWNKJ-RISCZKNCSA-N 1 0 366.259 2.108 20 30 FEEDRO CN(C(=O)c1ccc(C#N)n1C)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000450229052 560254793 /nfs/dbraw/zinc/25/47/93/560254793.db2.gz WDDPLFBOSKVOCN-MOPGFXCFSA-N 1 0 371.529 2.306 20 30 FEEDRO C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)[C@@H](C)C[N@@H+]1C ZINC000450351556 560259473 /nfs/dbraw/zinc/25/94/73/560259473.db2.gz VJYNITFSEUGVHU-VNHYZAJKSA-N 1 0 374.872 2.116 20 30 FEEDRO C[C@@H]1[C@H](NC(=O)COc2cccc(Br)c2C#N)CCC[N@@H+]1C ZINC000450547013 560265772 /nfs/dbraw/zinc/26/57/72/560265772.db2.gz LUOTZBZXGVSWRV-BXUZGUMPSA-N 1 0 366.259 2.298 20 30 FEEDRO CC(=O)N1CCC[N@H+](C[C@@H]2CCCN(c3nc(C)ccc3C#N)C2)CC1 ZINC000450772319 560272786 /nfs/dbraw/zinc/27/27/86/560272786.db2.gz KWKDGJPNQIZGGQ-SFHVURJKSA-N 1 0 355.486 2.032 20 30 FEEDRO CC(=O)Nc1ccc(C[NH+]2CCC(Nc3nccnc3C#N)CC2)cc1 ZINC000450789989 560273387 /nfs/dbraw/zinc/27/33/87/560273387.db2.gz XIUFMUVKQSDDKK-UHFFFAOYSA-N 1 0 350.426 2.383 20 30 FEEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)c1 ZINC000450856482 560275772 /nfs/dbraw/zinc/27/57/72/560275772.db2.gz ITVUTTZDZNRCFC-KZNAEPCWSA-N 1 0 360.479 2.269 20 30 FEEDRO CS[C@@H]1CN(S(=O)(=O)c2ccc(CC#N)cc2Cl)C[C@@H]1[NH+](C)C ZINC000451351773 560302045 /nfs/dbraw/zinc/30/20/45/560302045.db2.gz JSEOLVUJKOHPRV-UONOGXRCSA-N 1 0 373.931 2.072 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]CC(=O)NCCc1ccc(OC(F)F)cc1 ZINC000451681283 560321731 /nfs/dbraw/zinc/32/17/31/560321731.db2.gz NXPSATZHUOFWBW-CVEARBPZSA-N 1 0 354.397 2.270 20 30 FEEDRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)c2ccc(C#N)n2C)c1 ZINC000451780769 560328095 /nfs/dbraw/zinc/32/80/95/560328095.db2.gz HIGATUIXMQSWAO-UHFFFAOYSA-N 1 0 353.426 2.429 20 30 FEEDRO CC1(C)COC[C@@H]1[NH2+]CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000451810500 560330122 /nfs/dbraw/zinc/33/01/22/560330122.db2.gz OWOXUJJVETYTLJ-HNNXBMFYSA-N 1 0 354.372 2.188 20 30 FEEDRO COc1ccc(N2CC[NH+](CCC(=O)Nc3ccccc3C#N)CC2)nc1 ZINC000452055613 560348620 /nfs/dbraw/zinc/34/86/20/560348620.db2.gz HPNNULNRPNXIAF-UHFFFAOYSA-N 1 0 365.437 2.113 20 30 FEEDRO Cc1nc(C#N)c(N2CCN(C(=O)C[NH2+][C@@H](C)c3cccc(C)c3)CC2)o1 ZINC000452089389 560350480 /nfs/dbraw/zinc/35/04/80/560350480.db2.gz PXJPDVPVBFOLLN-HNNXBMFYSA-N 1 0 367.453 2.163 20 30 FEEDRO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1cccc(CC#N)c1)c1ccccc1 ZINC000453586916 560389792 /nfs/dbraw/zinc/38/97/92/560389792.db2.gz YOMFBLDCDFUNKS-SFHVURJKSA-N 1 0 350.422 2.110 20 30 FEEDRO C[N@H+](CCCNC(=O)C(=O)Nc1cccc(CC#N)c1)C1CCCCC1 ZINC000453600108 560390560 /nfs/dbraw/zinc/39/05/60/560390560.db2.gz NMABXADUKPWXEA-UHFFFAOYSA-N 1 0 356.470 2.462 20 30 FEEDRO Cc1nc(NC(=O)C(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)ccc1C#N ZINC000453608215 560390990 /nfs/dbraw/zinc/39/09/90/560390990.db2.gz OTDGDCMHFPCLQO-HUUCEWRRSA-N 1 0 371.485 2.075 20 30 FEEDRO Cc1cc(C#N)cc(NC(=O)C(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)c1 ZINC000453616898 560391457 /nfs/dbraw/zinc/39/14/57/560391457.db2.gz HLRGLCKFGFXEAT-AWEZNQCLSA-N 1 0 356.470 2.432 20 30 FEEDRO CC(C)(C)CC[NH+]1CCN(C(=O)C(=O)Nc2cccc(CC#N)c2)CC1 ZINC000453620582 560391565 /nfs/dbraw/zinc/39/15/65/560391565.db2.gz LKTLAHOVVKGYFM-UHFFFAOYSA-N 1 0 356.470 2.272 20 30 FEEDRO CC(C)(C)Oc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)cc1C#N ZINC000453655449 560393894 /nfs/dbraw/zinc/39/38/94/560393894.db2.gz SPZMOKNOWGQMLM-OAHLLOKOSA-N 1 0 370.453 2.027 20 30 FEEDRO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)C[C@H]1[NH+](C)C ZINC000453672766 560395486 /nfs/dbraw/zinc/39/54/86/560395486.db2.gz LMYKFYILRXWNTO-CZUORRHYSA-N 1 0 372.469 2.083 20 30 FEEDRO C[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(CC#N)cc2Cl)C[N@@H+]1C1CC1 ZINC000453681426 560396258 /nfs/dbraw/zinc/39/62/58/560396258.db2.gz UYCIBLPBBKJVJV-WCQYABFASA-N 1 0 360.845 2.086 20 30 FEEDRO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1ccc(C#N)c(C)n1 ZINC000453709105 560398600 /nfs/dbraw/zinc/39/86/00/560398600.db2.gz AIISJJNYYCLOCP-IRXDYDNUSA-N 1 0 371.485 2.217 20 30 FEEDRO CC(C)(C)[NH2+]CCNC(=O)C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 ZINC000453715930 560399164 /nfs/dbraw/zinc/39/91/64/560399164.db2.gz YTXDVNZYNDLPGB-UHFFFAOYSA-N 1 0 360.458 2.178 20 30 FEEDRO N#CCc1ccc(NC(=O)C(=O)NC2CC([NH+]3CCCCC3)C2)c(Cl)c1 ZINC000453725822 560399714 /nfs/dbraw/zinc/39/97/14/560399714.db2.gz KJKJKJXWOUQDQH-UHFFFAOYSA-N 1 0 374.872 2.478 20 30 FEEDRO Cc1cc(C#N)cc(NC(=O)C(=O)N[C@@H](CC(C)C)C[NH+]2CCCC2)c1 ZINC000453809180 560405353 /nfs/dbraw/zinc/40/53/53/560405353.db2.gz TWNCAGLCSKJYSS-SFHVURJKSA-N 1 0 356.470 2.432 20 30 FEEDRO C[NH+](C)CCc1ccc(NC(=O)C(=O)Nc2cccc(CC#N)c2)cc1 ZINC000454043088 560424414 /nfs/dbraw/zinc/42/44/14/560424414.db2.gz RYZSWMHGIKSMSR-UHFFFAOYSA-N 1 0 350.422 2.434 20 30 FEEDRO CC1(C)CCC[N@@H+]1CCNC(=O)C(=O)Nc1ccc(CC#N)cc1Cl ZINC000454066052 560426196 /nfs/dbraw/zinc/42/61/96/560426196.db2.gz HHDIGXROYXEWJS-UHFFFAOYSA-N 1 0 362.861 2.335 20 30 FEEDRO Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)NC(C)(C)CCC[NH+](C)C ZINC000455151071 560471817 /nfs/dbraw/zinc/47/18/17/560471817.db2.gz TZMCTJOWVKEIPC-UHFFFAOYSA-N 1 0 369.473 2.689 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1NC(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000456255193 560513438 /nfs/dbraw/zinc/51/34/38/560513438.db2.gz BLNURIMZQBBGIK-UXHICEINSA-N 1 0 357.498 2.439 20 30 FEEDRO COCCN(CC#N)C(=O)[C@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC000457209329 560555985 /nfs/dbraw/zinc/55/59/85/560555985.db2.gz YPNSEHKYRDPCPG-MRXNPFEDSA-N 1 0 351.397 2.142 20 30 FEEDRO Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NCCCC[N@@H+](C)C1CC1 ZINC000457212198 560556151 /nfs/dbraw/zinc/55/61/51/560556151.db2.gz XHXMVKPCLJSBPF-UHFFFAOYSA-N 1 0 368.485 2.141 20 30 FEEDRO C[NH+](C)CC(C)(C)NC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 ZINC000457256087 560558750 /nfs/dbraw/zinc/55/87/50/560558750.db2.gz YNAIWSIYMDJCNN-ZDUSSCGKSA-N 1 0 362.861 2.021 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N(CCO)Cc2cccc(OCC)c2)CC1 ZINC000458338699 560615495 /nfs/dbraw/zinc/61/54/95/560615495.db2.gz SDUOYWQYEUAFOZ-UHFFFAOYSA-N 1 0 361.486 2.240 20 30 FEEDRO C=CCC[C@@H](CO)NC(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000458363087 560617093 /nfs/dbraw/zinc/61/70/93/560617093.db2.gz KFKKPADQYYQSPQ-KRWDZBQOSA-N 1 0 367.534 2.426 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1NC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F ZINC000459010983 560661831 /nfs/dbraw/zinc/66/18/31/560661831.db2.gz BRNOJMIXLIPQEL-SJORKVTESA-N 1 0 353.413 2.382 20 30 FEEDRO CCOC(=O)c1ncn(C2CC[NH+](Cc3ccc(C#N)c(F)c3)CC2)c1N ZINC000459425040 560685734 /nfs/dbraw/zinc/68/57/34/560685734.db2.gz MAGSGVMZCCHAQL-UHFFFAOYSA-N 1 0 371.416 2.490 20 30 FEEDRO N#C[C@H]1CCC[C@H]1NCC(=O)N1CCN(Cc2cccc(Cl)c2)CC1 ZINC000459453929 560687354 /nfs/dbraw/zinc/68/73/54/560687354.db2.gz DHAGMKOXWNQRAL-SJLPKXTDSA-N 1 0 360.889 2.266 20 30 FEEDRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)Nc2snc(C)c2C#N)C1 ZINC000459570767 560694784 /nfs/dbraw/zinc/69/47/84/560694784.db2.gz BUSRZJXZGFSPLQ-CYBMUJFWSA-N 1 0 351.476 2.288 20 30 FEEDRO N#CCNC(=O)C[NH2+][C@@H]1CN(Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC000459742825 560705734 /nfs/dbraw/zinc/70/57/34/560705734.db2.gz BXWSIHNFSNOPSP-VQTJNVASSA-N 1 0 366.440 2.023 20 30 FEEDRO C=CCN(C)C(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000459912473 560718981 /nfs/dbraw/zinc/71/89/81/560718981.db2.gz YBFYRUVKJUJBPP-RTBURBONSA-N 1 0 355.482 2.144 20 30 FEEDRO C=C(C)Cn1c(C(=O)NC(C)C)nnc1N(C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000460379398 560742730 /nfs/dbraw/zinc/74/27/30/560742730.db2.gz HQOXRJUAJQHBOB-HOTGVXAUSA-N 1 0 362.522 2.301 20 30 FEEDRO C=C(C)Cn1c(C(=O)NC(C)C)nnc1N(C)[C@@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000460379399 560742749 /nfs/dbraw/zinc/74/27/49/560742749.db2.gz HQOXRJUAJQHBOB-HZPDHXFCSA-N 1 0 362.522 2.301 20 30 FEEDRO Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000461316959 560766643 /nfs/dbraw/zinc/76/66/43/560766643.db2.gz NDQINBWJVLGAQD-UHFFFAOYSA-N 1 0 360.421 2.761 20 30 FEEDRO COCC[N@H+](C)CCOc1cccc(CNC(=O)N[C@@H]2CCC[C@@H]2C#N)c1 ZINC000461960236 560789897 /nfs/dbraw/zinc/78/98/97/560789897.db2.gz SXSKLKJVDDREBZ-IEBWSBKVSA-N 1 0 374.485 2.135 20 30 FEEDRO C=CC[C@H](CO)[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000467412542 560909641 /nfs/dbraw/zinc/90/96/41/560909641.db2.gz SOTQMXYXJJGMGK-DGCLKSJQSA-N 1 0 360.273 2.194 20 30 FEEDRO CCOC(=O)[C@](C)(C[NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1)c1ccccc1 ZINC000468778157 560938651 /nfs/dbraw/zinc/93/86/51/560938651.db2.gz AVIVARZDMRISFW-WIYYLYMNSA-N 1 0 365.433 2.195 20 30 FEEDRO CSc1nc(C2CC2)cc(C(=O)N2CCC[N@@H+]([C@H](C)CO)CC2)c1C#N ZINC000470091671 560974167 /nfs/dbraw/zinc/97/41/67/560974167.db2.gz HYCNZYANEHNUCG-CYBMUJFWSA-N 1 0 374.510 2.081 20 30 FEEDRO C=CCOCCC[NH+]1CCN([C@H](C(N)=O)c2ccc(Cl)cc2)CC1 ZINC000470769934 560989319 /nfs/dbraw/zinc/98/93/19/560989319.db2.gz VLKBQCPTQVYNCN-KRWDZBQOSA-N 1 0 351.878 2.077 20 30 FEEDRO CC[NH+](CC)CCO[C@H]1CCN([C@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000472265759 561022378 /nfs/dbraw/zinc/02/23/78/561022378.db2.gz YYRCVCVDAZOFSA-APWZRJJASA-N 1 0 358.486 2.318 20 30 FEEDRO C=CCOc1ccc(C[NH2+][C@H]2CCCC[C@H]2NS(C)(=O)=O)cc1OC ZINC000473837153 561058657 /nfs/dbraw/zinc/05/86/57/561058657.db2.gz RGXDBFSBAZHIIY-JKSUJKDBSA-N 1 0 368.499 2.210 20 30 FEEDRO CC(C)OCC[NH+]1CCC(NS(=O)(=O)CC2(C#N)CCCCC2)CC1 ZINC000476307514 561116043 /nfs/dbraw/zinc/11/60/43/561116043.db2.gz IIAIVLXATNDZJB-UHFFFAOYSA-N 1 0 371.547 2.269 20 30 FEEDRO C[C@@H]1C[C@H](CCNC(=O)c2cnn(C)c2C#N)C[N@@H+]1Cc1ccccc1 ZINC000476453281 561119849 /nfs/dbraw/zinc/11/98/49/561119849.db2.gz CEPXFGKTQILTCK-WBVHZDCISA-N 1 0 351.454 2.322 20 30 FEEDRO COc1ccc2c(c1)CC[N@@H+](C[C@H](O)COc1ccccc1C#N)CC2 ZINC000528422166 562328481 /nfs/dbraw/zinc/32/84/81/562328481.db2.gz IRZOMCHWTCXACJ-IBGZPJMESA-N 1 0 352.434 2.407 20 30 FEEDRO N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000528438802 562329325 /nfs/dbraw/zinc/32/93/25/562329325.db2.gz NFFYUHXHLIQMKY-AZUAARDMSA-N 1 0 356.397 2.031 20 30 FEEDRO Cc1ccnc(Nc2cccc(C(=O)NC3(C#N)CC[NH+](C)CC3)c2)n1 ZINC000528455725 562330374 /nfs/dbraw/zinc/33/03/74/562330374.db2.gz JYAFPDJTKFWHQK-UHFFFAOYSA-N 1 0 350.426 2.246 20 30 FEEDRO CC(C)C[C@@]1(CO)CCC[N@@H+]1CC#CCN1C(=O)c2ccccc2C1=O ZINC000528469887 562330932 /nfs/dbraw/zinc/33/09/32/562330932.db2.gz CJGCQQVLOCKPDF-OAQYLSRUSA-N 1 0 354.450 2.159 20 30 FEEDRO C[C@H]1CN(CC(F)(F)F)CC[N@H+](C[C@@H](O)COc2ccccc2C#N)C1 ZINC000528523014 562333720 /nfs/dbraw/zinc/33/37/20/562333720.db2.gz XJWQRWHMFJMCRH-GDBMZVCRSA-N 1 0 371.403 2.114 20 30 FEEDRO Cc1oc(NC(=O)[C@H](C)N2CCC(C)([NH+]3CCOCC3)CC2)c(C#N)c1C ZINC000528728111 562344272 /nfs/dbraw/zinc/34/42/72/562344272.db2.gz LTHPRPIUPWALQR-HNNXBMFYSA-N 1 0 374.485 2.282 20 30 FEEDRO CC(C)C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@H]1CCCN(O)C1=O ZINC000529426147 562373588 /nfs/dbraw/zinc/37/35/88/562373588.db2.gz GAXMQFRQDPOPJE-QRVBRYPASA-N 1 0 373.497 2.277 20 30 FEEDRO CC(C)[C@H]1CN(C(=O)[C@H](C)n2cnc(C#N)n2)CC[N@@H+]1Cc1ccccc1 ZINC000529806192 562386270 /nfs/dbraw/zinc/38/62/70/562386270.db2.gz ZPFQLSDEQKDNCR-FUHWJXTLSA-N 1 0 366.469 2.080 20 30 FEEDRO C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000529912110 562391283 /nfs/dbraw/zinc/39/12/83/562391283.db2.gz HRSCDGGWYRJNPL-MRXNPFEDSA-N 1 0 357.454 2.039 20 30 FEEDRO C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)COc2ccccc2C#N)C(=O)N1c1ccccc1 ZINC000530230849 562403072 /nfs/dbraw/zinc/40/30/72/562403072.db2.gz KJMASJHKZPJDKG-ATZDWAIDSA-N 1 0 365.433 2.082 20 30 FEEDRO N#Cc1ccccc1OC[C@@H](O)C[NH2+][C@H]1CCN(C(=O)C2CCCCC2)C1 ZINC000530232856 562403188 /nfs/dbraw/zinc/40/31/88/562403188.db2.gz TYFKNYCNDJIRRS-OALUTQOASA-N 1 0 371.481 2.069 20 30 FEEDRO CC1CC(C#N)(C(=O)Nc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)C1 ZINC000531556642 562449844 /nfs/dbraw/zinc/44/98/44/562449844.db2.gz XQCXLAGFZDRDHQ-UHFFFAOYSA-N 1 0 354.454 2.391 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000531624078 562452006 /nfs/dbraw/zinc/45/20/06/562452006.db2.gz AAYYQFWKYGAFNE-UHFFFAOYSA-N 1 0 353.382 2.065 20 30 FEEDRO COc1ccc(C#N)cc1NC(=O)N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000532351066 562475006 /nfs/dbraw/zinc/47/50/06/562475006.db2.gz ADQHCJDKSGOSHJ-KRWDZBQOSA-N 1 0 371.485 2.199 20 30 FEEDRO COC[C@H]1CC[N@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC000532583952 562482283 /nfs/dbraw/zinc/48/22/83/562482283.db2.gz OWYQXIASYOMNQV-HNNXBMFYSA-N 1 0 354.372 2.141 20 30 FEEDRO C[NH+]1CCC(C#N)(NC(=O)Cc2cc(F)ccc2Br)CC1 ZINC000533229898 562502279 /nfs/dbraw/zinc/50/22/79/562502279.db2.gz DTAJJOAZFYTYLZ-UHFFFAOYSA-N 1 0 354.223 2.235 20 30 FEEDRO COc1cccc(-c2nc(C)c(C(=O)NC3(C#N)CC[NH+](C)CC3)[nH]2)c1 ZINC000534420880 562533845 /nfs/dbraw/zinc/53/38/45/562533845.db2.gz SSIADZJEWCWKCK-UHFFFAOYSA-N 1 0 353.426 2.112 20 30 FEEDRO CCC[C@H]1CN(Cc2cccc(C(=O)OC)c2C#N)CC[N@@H+]1CCOC ZINC000535755896 562566817 /nfs/dbraw/zinc/56/68/17/562566817.db2.gz VGFLUIXXEZPWTC-KRWDZBQOSA-N 1 0 359.470 2.278 20 30 FEEDRO C[N@H+]1CC=C(CNC(=O)C(=O)Nc2cccc(C#Cc3ccccc3)c2)CC1 ZINC000537260303 562588980 /nfs/dbraw/zinc/58/89/80/562588980.db2.gz DZXFJOJXEUTXHJ-UHFFFAOYSA-N 1 0 373.456 2.403 20 30 FEEDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CCC(CC#N)CC2)[C@@H](C)C1 ZINC000541921108 562623395 /nfs/dbraw/zinc/62/33/95/562623395.db2.gz ZOPGGBYGSBQVSE-WMZOPIPTSA-N 1 0 350.507 2.459 20 30 FEEDRO N#CCC1CC[NH+](CC(=O)NCC2(c3ccccc3)CCOCC2)CC1 ZINC000541951976 562624225 /nfs/dbraw/zinc/62/42/25/562624225.db2.gz JXLQLVCUOHKWJR-UHFFFAOYSA-N 1 0 355.482 2.477 20 30 FEEDRO COc1cc([C@H](C)[NH2+]Cc2cnc3c(C#N)cnn3c2)cc(OC)c1OC ZINC000549761499 562639210 /nfs/dbraw/zinc/63/92/10/562639210.db2.gz LHDATXHJUBVRLF-LBPRGKRZSA-N 1 0 367.409 2.478 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000556249246 674393354 /nfs/dbraw/zinc/39/33/54/674393354.db2.gz VCIOLYUENUOMJF-UHFFFAOYSA-N 1 0 361.511 2.253 20 30 FEEDRO C[C@@H]1C[NH+](C[C@@H](O)COc2cccc(C(F)(F)F)c2)C[C@@H](C)N1CC#N ZINC000602854522 568002040 /nfs/dbraw/zinc/00/20/40/568002040.db2.gz CKZNTDQFEQVXLO-IIAWOOMASA-N 1 0 371.403 2.363 20 30 FEEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+][C@H]1CCN(C(=O)COc2ccccc2)C1 ZINC000602659732 568011865 /nfs/dbraw/zinc/01/18/65/568011865.db2.gz WCIGKYVOHIDRKP-ROUUACIJSA-N 1 0 371.481 2.355 20 30 FEEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H]1CN(C)CCN1Cc1ccccc1 ZINC000602722084 568023128 /nfs/dbraw/zinc/02/31/28/568023128.db2.gz LZIXBFCYABXRNO-TZIWHRDSSA-N 1 0 370.541 2.491 20 30 FEEDRO CC1(C)[C@@H](NC(=O)c2ccc(C3(C#N)CC3)cc2)C[C@@H]1N1CCOCC1 ZINC000603117819 568063686 /nfs/dbraw/zinc/06/36/86/568063686.db2.gz PMTZBQWCMNBCKF-ROUUACIJSA-N 1 0 353.466 2.471 20 30 FEEDRO N#CCCN(C(=O)Cn1cc(C[C@@H]2CC[NH2+]C2)nn1)c1cccc(Cl)c1 ZINC000603178199 568068263 /nfs/dbraw/zinc/06/82/63/568068263.db2.gz RRAGXGLIHHUUPE-AWEZNQCLSA-N 1 0 372.860 2.030 20 30 FEEDRO Cc1cc(C)cc(N(CCC#N)C(=O)Cn2cc([C@@H]3CCC[NH2+]C3)nn2)c1 ZINC000603186390 568071534 /nfs/dbraw/zinc/07/15/34/568071534.db2.gz IZPJBYPFNJKWOF-QGZVFWFLSA-N 1 0 366.469 2.309 20 30 FEEDRO C[N@H+](Cc1cn(C[C@H](O)CC2(C#N)CCOCC2)nn1)C1CCCCC1 ZINC000603265746 568083501 /nfs/dbraw/zinc/08/35/01/568083501.db2.gz BUMDIWSILNLWTK-GOSISDBHSA-N 1 0 361.490 2.114 20 30 FEEDRO N#Cc1ccc(N2CCC[C@H](NC(=O)N(C3CC3)[C@@H]3CC[NH2+]C3)C2)c(F)c1 ZINC000570146767 568454941 /nfs/dbraw/zinc/45/49/41/568454941.db2.gz UHAZTXSTWQGRPL-DOTOQJQBSA-N 1 0 371.460 2.202 20 30 FEEDRO N#Cc1ccncc1N1CC[NH+](C[C@@H](O)Cc2cccc(Cl)c2)CC1 ZINC000570264182 568466021 /nfs/dbraw/zinc/46/60/21/568466021.db2.gz GLGHVKYWWKNJME-SFHVURJKSA-N 1 0 356.857 2.332 20 30 FEEDRO C[C@@H]([NH2+][C@@H]1CCN(c2ccc(C#N)cc2)C1=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000736129963 598958903 /nfs/dbraw/zinc/95/89/03/598958903.db2.gz FWHMOHJRMHIREF-FZKQIMNGSA-N 1 0 373.420 2.194 20 30 FEEDRO C[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1)C(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000820414032 599391311 /nfs/dbraw/zinc/39/13/11/599391311.db2.gz WVIRQCHTIZZOOB-STQMWFEESA-N 1 0 361.409 2.416 20 30 FEEDRO CC(C)CC[N@H+](CCC#N)CCC(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000820076154 599639862 /nfs/dbraw/zinc/63/98/62/599639862.db2.gz CWXKSRAGIGEWIP-UHFFFAOYSA-N 1 0 355.446 2.457 20 30 FEEDRO C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000819743582 599698292 /nfs/dbraw/zinc/69/82/92/599698292.db2.gz MPSUARAUNCDBFR-GASCZTMLSA-N 1 0 354.458 2.254 20 30 FEEDRO C#Cc1ccc(C[NH2+]CCNS(=O)(=O)c2ccc(F)cc2F)cc1 ZINC000809660626 674504104 /nfs/dbraw/zinc/50/41/04/674504104.db2.gz LELLTRNREVXQDC-UHFFFAOYSA-N 1 0 350.390 2.014 20 30 FEEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]CCNS(=O)(=O)Cc1ccccc1)CC2 ZINC000810211088 674537314 /nfs/dbraw/zinc/53/73/14/674537314.db2.gz MBYIUDUGUJQGJZ-LJQANCHMSA-N 1 0 355.463 2.255 20 30 FEEDRO C=C(C)C[NH+]1CCC(Nc2nnc(CC)c(CC)c2-c2nn[nH]n2)CC1 ZINC000819722585 606931607 /nfs/dbraw/zinc/93/16/07/606931607.db2.gz NMELSBMEFGOFMN-UHFFFAOYSA-N 1 0 356.478 2.234 20 30 FEEDRO CCS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@H](C)C(=O)NC2(C#N)CCC2)cc1 ZINC000560175161 674570884 /nfs/dbraw/zinc/57/08/84/674570884.db2.gz PGSKBRNVBGZYQW-ZIAGYGMSSA-N 1 0 363.483 2.082 20 30 FEEDRO C[C@H]1CN(C(=O)OC(C)(C)C)CCC1=NNC(=S)NCCC[NH+](C)C ZINC000811642325 674618098 /nfs/dbraw/zinc/61/80/98/674618098.db2.gz MLDBUGJNBHLXNT-ZDUSSCGKSA-N 1 0 371.551 2.035 20 30 FEEDRO C#C[C@H](NC(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1)c1ccc(Cl)cc1 ZINC000811904773 674637853 /nfs/dbraw/zinc/63/78/53/674637853.db2.gz MRHZIIUNXVPWTR-YJBOKZPZSA-N 1 0 362.905 2.340 20 30 FEEDRO CC[NH+](CC)[C@H](C)CNS(=O)(=O)c1cccc(Br)c1C#N ZINC000561543877 674677568 /nfs/dbraw/zinc/67/75/68/674677568.db2.gz XFLQVGDLOIYCPM-LLVKDONJSA-N 1 0 374.304 2.329 20 30 FEEDRO COc1ccccc1NC(=S)NN=C1CC[NH+](CC(C)(C)O)CC1 ZINC000814214201 674826621 /nfs/dbraw/zinc/82/66/21/674826621.db2.gz WOJZVZLDLIDVOO-UHFFFAOYSA-N 1 0 350.488 2.204 20 30 FEEDRO COc1ccc([C@@H](C)[NH2+]C[C@@H](O)CN(C)CCC#N)cc1Br ZINC000563852853 674946451 /nfs/dbraw/zinc/94/64/51/674946451.db2.gz HAUVMPJFJKMHEK-TZMCWYRMSA-N 1 0 370.291 2.315 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CCc3ccns3)C[C@@H]2C1 ZINC001048825714 675015664 /nfs/dbraw/zinc/01/56/64/675015664.db2.gz DQQHLGKVAZLCEG-ATLSCFEFSA-N 1 0 361.511 2.057 20 30 FEEDRO CC(C)[C@@H]1OCCC[C@@H]1C[NH2+]CCS(=O)(=O)c1cccc(C#N)c1 ZINC000564722879 675055244 /nfs/dbraw/zinc/05/52/44/675055244.db2.gz WNNVPRIQDLIGJO-AEFFLSMTSA-N 1 0 350.484 2.373 20 30 FEEDRO COCCNC(=S)C(C(=O)c1ccc(OC)cc1)[n+]1cccc(C)c1 ZINC000022794889 670044383 /nfs/dbraw/zinc/04/43/83/670044383.db2.gz JZDIMCHXYXWNSB-UHFFFAOYSA-O 1 0 359.471 2.466 20 30 FEEDRO C[C@@H]([NH3+])[C@@H]1CCCN(S(=O)(=O)c2cccc(Br)c2C#N)C1 ZINC000564959419 675081855 /nfs/dbraw/zinc/08/18/55/675081855.db2.gz WOZLVKWKAGUTAS-GHMZBOCLSA-N 1 0 372.288 2.069 20 30 FEEDRO C=CCn1c(=S)n(CN2CC[NH+](C3CCOCC3)CC2)nc1C1CC1 ZINC000083114955 670655542 /nfs/dbraw/zinc/65/55/42/670655542.db2.gz WMSVAEKIYIQVRK-UHFFFAOYSA-N 1 0 363.531 2.232 20 30 FEEDRO C[NH+]=C(NCC[S@@](=O)C(C)(C)C)N1CCN(c2ccccc2F)CC1 ZINC000088663107 670692647 /nfs/dbraw/zinc/69/26/47/670692647.db2.gz POUYVTWFYNEJIJ-VWLOTQADSA-N 1 0 368.522 2.070 20 30 FEEDRO Cc1c(I)cn(CCC2CC[NH2+]CC2)c(=O)c1C#N ZINC000566182563 675191362 /nfs/dbraw/zinc/19/13/62/675191362.db2.gz KZOSQBNNKMBMAX-UHFFFAOYSA-N 1 0 371.222 2.023 20 30 FEEDRO N#CCCC[C@H]([NH3+])C(=O)N1CCO[C@H](c2ccccc2Br)C1 ZINC000818101851 675196327 /nfs/dbraw/zinc/19/63/27/675196327.db2.gz XGPALQNEYBNTGJ-GJZGRUSLSA-N 1 0 366.259 2.370 20 30 FEEDRO C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C)C[N@@H+](C)CCCC)cc1 ZINC000577252666 671426934 /nfs/dbraw/zinc/42/69/34/671426934.db2.gz SYGKAFAWUXHPIA-OAHLLOKOSA-N 1 0 367.515 2.001 20 30 FEEDRO CN(CCC#N)C[C@@H](O)C[NH2+]CC1(c2ccccc2Br)CC1 ZINC000578499300 671669573 /nfs/dbraw/zinc/66/95/73/671669573.db2.gz ICQCAOZTUPARKY-AWEZNQCLSA-N 1 0 366.303 2.277 20 30 FEEDRO CN(CCC#N)C[C@H](O)C[NH2+][C@@H]1CCOc2c(Br)cccc21 ZINC000578620107 671677879 /nfs/dbraw/zinc/67/78/79/671677879.db2.gz OVZFMJPDMIQBRO-IUODEOHRSA-N 1 0 368.275 2.069 20 30 FEEDRO Cc1ccc(S(=O)(=O)NCC[NH2+][C@@H]2CCc3ccc(C#N)cc32)s1 ZINC000578805638 671690746 /nfs/dbraw/zinc/69/07/46/671690746.db2.gz YFYAQKIFFQPGSY-MRXNPFEDSA-N 1 0 361.492 2.484 20 30 FEEDRO C=CCN(CC=C)C(=O)[C@@H](C)[NH2+][C@@H](C)c1cccc(NS(C)(=O)=O)c1 ZINC000119028079 671890956 /nfs/dbraw/zinc/89/09/56/671890956.db2.gz KEJMVWKINAFONQ-LSDHHAIUSA-N 1 0 365.499 2.298 20 30 FEEDRO CC[NH+](CC)CC#C[C@@H](C)OC(=O)[C@H]1CSCN1C(=O)C1CCCC1 ZINC000121353279 671947281 /nfs/dbraw/zinc/94/72/81/671947281.db2.gz CLFICQOZJTUENN-NVXWUHKLSA-N 1 0 366.527 2.355 20 30 FEEDRO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1cncc(C#N)c1 ZINC000582031441 671960403 /nfs/dbraw/zinc/96/04/03/671960403.db2.gz JMHZEFQYRWXOTJ-RDJZCZTQSA-N 1 0 350.488 2.132 20 30 FEEDRO CC(C)C[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2cccc(F)c2C#N)C1 ZINC000128713973 672052116 /nfs/dbraw/zinc/05/21/16/672052116.db2.gz RFWUGQOXTBHWAU-AWEZNQCLSA-N 1 0 353.463 2.344 20 30 FEEDRO CC[C@H](C)c1ccc(NC(=[NH2+])NC[C@@H]2CCN(S(C)(=O)=O)C2)cc1 ZINC000133861343 672116165 /nfs/dbraw/zinc/11/61/65/672116165.db2.gz MFMVKLDDMBNXJZ-KBPBESRZSA-N 1 0 352.504 2.208 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N[C@H]2CC[N@H+](CC3CC3)C2)cc1C(F)(F)F ZINC000610583893 675982899 /nfs/dbraw/zinc/98/28/99/675982899.db2.gz UVDMHMRARRRLEZ-ZDUSSCGKSA-N 1 0 373.400 2.340 20 30 FEEDRO CCO[C@H]1C[C@@H]([NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)C1(CC)CC ZINC000584017535 672147791 /nfs/dbraw/zinc/14/77/91/672147791.db2.gz WKLKXMGSBQWGQQ-CVEARBPZSA-N 1 0 365.499 2.300 20 30 FEEDRO C=CCNC(=S)C(C(=O)c1cnn(C)c1)[n+]1ccc2c(c1)CCCC2 ZINC000151906449 672171458 /nfs/dbraw/zinc/17/14/58/672171458.db2.gz GPCOEBQASOCTBF-UHFFFAOYSA-O 1 0 355.487 2.301 20 30 FEEDRO C[NH+]=C(NCC(=O)N1CCCCC1)N1CCSC2(CCCCC2)C1 ZINC000153563215 672200719 /nfs/dbraw/zinc/20/07/19/672200719.db2.gz FDNIODKCTLVILB-UHFFFAOYSA-N 1 0 352.548 2.326 20 30 FEEDRO N#Cc1ccsc1NC(=O)CC[N@H+]1CCOC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000585800959 672236159 /nfs/dbraw/zinc/23/61/59/672236159.db2.gz YVWRZYPUNXVWLQ-OAGGEKHMSA-N 1 0 363.483 2.200 20 30 FEEDRO C[NH+]=C(NC[C@H](C)c1ccc(F)cc1F)N1CCS(=O)(=O)C(C)(C)C1 ZINC000158646505 672271179 /nfs/dbraw/zinc/27/11/79/672271179.db2.gz YCJZAQGTJJWVBP-LBPRGKRZSA-N 1 0 373.469 2.153 20 30 FEEDRO C=CCCS(=O)(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000167072236 672320090 /nfs/dbraw/zinc/32/00/90/672320090.db2.gz VLXCFMZWNWFRBX-MSOLQXFVSA-N 1 0 357.564 2.161 20 30 FEEDRO [NH2+]=C(NCCc1ccccc1)NC[C@@H](c1cccs1)N1CCOCC1 ZINC000170905970 672327000 /nfs/dbraw/zinc/32/70/00/672327000.db2.gz WKOCAGAJZQMKLM-KRWDZBQOSA-N 1 0 358.511 2.268 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)NCC[C@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000172029852 672338757 /nfs/dbraw/zinc/33/87/57/672338757.db2.gz QFLIEOQOWKPZDW-AWEZNQCLSA-N 1 0 354.495 2.239 20 30 FEEDRO N#Cc1cc(Br)ccc1CN1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000588200422 672456953 /nfs/dbraw/zinc/45/69/53/672456953.db2.gz RTKQRNGGKFZNIP-IRXDYDNUSA-N 1 0 364.287 2.352 20 30 FEEDRO C[C@@H](OC[C@@H](O)C[NH+]1CCN(CCC#N)CC1)c1ccc(Cl)cc1 ZINC000611174982 676022687 /nfs/dbraw/zinc/02/26/87/676022687.db2.gz QGPKNCQEEHKYLZ-QAPCUYQASA-N 1 0 351.878 2.310 20 30 FEEDRO C=CCOCCNC(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000679607086 672509763 /nfs/dbraw/zinc/50/97/63/672509763.db2.gz QLTWHABYZLZLFZ-UHFFFAOYSA-N 1 0 353.507 2.302 20 30 FEEDRO CN1CCO[C@H]([C@@H]([NH2+]C2CCN(CC#N)CC2)c2ccc(Cl)cc2)C1 ZINC000611264519 676028670 /nfs/dbraw/zinc/02/86/70/676028670.db2.gz HXNSWBSVDUQFRX-OALUTQOASA-N 1 0 362.905 2.289 20 30 FEEDRO CN(CCC#N)C[C@@H](O)C[NH2+]CCCc1cccc(Br)c1 ZINC000591241396 672661287 /nfs/dbraw/zinc/66/12/87/672661287.db2.gz CLWBOIKIYMMKHG-INIZCTEOSA-N 1 0 354.292 2.178 20 30 FEEDRO N#Cc1ccc(-n2ccc(NC(=O)NC[C@@H]3CCCC[NH2+]3)n2)c(Cl)c1 ZINC000591297749 672667141 /nfs/dbraw/zinc/66/71/41/672667141.db2.gz MGGQHUDCSOUBNT-ZDUSSCGKSA-N 1 0 358.833 2.661 20 30 FEEDRO COc1cc(NC(=O)N2CC[C@](F)(C#N)C2)ccc1OCC[NH+](C)C ZINC000591352020 672675192 /nfs/dbraw/zinc/67/51/92/672675192.db2.gz OTNRMSCNYQFGLJ-KRWDZBQOSA-N 1 0 350.394 2.105 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H]2CCc3cc(C#N)ccc32)cc1 ZINC000591764319 672708897 /nfs/dbraw/zinc/70/88/97/672708897.db2.gz FOKQGWIDOLKLFZ-LJQANCHMSA-N 1 0 351.431 2.481 20 30 FEEDRO C[NH+](C)[C@H](CNC(=O)N1CC[C@@](O)(CC#N)C1)c1ccc(Cl)cc1 ZINC000591970970 672728282 /nfs/dbraw/zinc/72/82/82/672728282.db2.gz DRQZMQYNLZKWRF-WBVHZDCISA-N 1 0 350.850 2.003 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@@H](C(C)C)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000592071184 672746884 /nfs/dbraw/zinc/74/68/84/672746884.db2.gz JBBUQNPEJVIJNB-ZIFCJYIRSA-N 1 0 351.535 2.277 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@H](C(C)C)N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000592071180 672747033 /nfs/dbraw/zinc/74/70/33/672747033.db2.gz JBBUQNPEJVIJNB-LMMKCTJWSA-N 1 0 351.535 2.277 20 30 FEEDRO N#CCCC[C@@H]([NH3+])C(=O)N[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000592124396 672761009 /nfs/dbraw/zinc/76/10/09/672761009.db2.gz BJHSBABHKIALGU-UKRRQHHQSA-N 1 0 365.275 2.165 20 30 FEEDRO N#CCCC[C@@H]([NH3+])C(=O)N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000592124393 672761114 /nfs/dbraw/zinc/76/11/14/672761114.db2.gz BJHSBABHKIALGU-DZGCQCFKSA-N 1 0 365.275 2.165 20 30 FEEDRO C=CCNC(=O)NC(=O)C[N@@H+](CCCC)[C@H]1CCc2ncsc2C1 ZINC000592188382 672769459 /nfs/dbraw/zinc/76/94/59/672769459.db2.gz OIWHOJLXCKWGCZ-ZDUSSCGKSA-N 1 0 350.488 2.114 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc(N)nc(Cl)c1 ZINC000195220402 672779490 /nfs/dbraw/zinc/77/94/90/672779490.db2.gz CDCCZYQGLKKTEC-UHFFFAOYSA-N 1 0 357.845 2.393 20 30 FEEDRO C[C@@H]1CCCN(S(=O)(=O)c2ccc(C#N)c(Br)c2)[C@H]1C[NH3+] ZINC000592370564 672793071 /nfs/dbraw/zinc/79/30/71/672793071.db2.gz RHCSMCOIPYERCJ-YGRLFVJLSA-N 1 0 372.288 2.069 20 30 FEEDRO N#CCc1ccc(CS(=O)(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000592391034 672796762 /nfs/dbraw/zinc/79/67/62/672796762.db2.gz RVFBEQXGKOSYFB-MOPGFXCFSA-N 1 0 361.511 2.294 20 30 FEEDRO N#Cc1cnn2cc(C[NH2+]C[C@@]3(O)CCC[C@@H](C(F)(F)F)C3)cnc12 ZINC000592509542 672809418 /nfs/dbraw/zinc/80/94/18/672809418.db2.gz YMLNVNDRWSWHMK-UKRRQHHQSA-N 1 0 353.348 2.174 20 30 FEEDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CCC[C@@](C)(C#N)C2)[C@H](C)C1 ZINC000612128153 676069922 /nfs/dbraw/zinc/06/99/22/676069922.db2.gz ZSEMMZPNAIKYMS-AOIWGVFYSA-N 1 0 350.507 2.459 20 30 FEEDRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CON=Cc2ccc(Cl)cc2)C1 ZINC000254942787 672881024 /nfs/dbraw/zinc/88/10/24/672881024.db2.gz SFBQVHWUAUBMRR-QGZVFWFLSA-N 1 0 367.877 2.164 20 30 FEEDRO CC[S@](=O)[C@@H]1CCC[C@H](NC(N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)=[NH+]C)C1 ZINC000261859350 672904616 /nfs/dbraw/zinc/90/46/16/672904616.db2.gz YGXHOOBDSBTKDO-PJNQPINSSA-N 1 0 367.559 2.189 20 30 FEEDRO CC[NH+]=C(NC[C@H]1CCN(S(C)(=O)=O)C1)NC1CCC(C(C)C)CC1 ZINC000261944853 672906018 /nfs/dbraw/zinc/90/60/18/672906018.db2.gz FMLRFKPUNKTVAZ-KLAILNCOSA-N 1 0 372.579 2.038 20 30 FEEDRO C[NH+]=C(NC[C@H](O)c1cc(Cl)cc(Cl)c1)NCC1(O)CCCC1 ZINC000261978131 672906540 /nfs/dbraw/zinc/90/65/40/672906540.db2.gz RBDFZHXIJZKBQU-AWEZNQCLSA-N 1 0 360.285 2.497 20 30 FEEDRO C[NH+]=C(NCC[S@@](=O)Cc1ccccc1)N1CCSC(C)(C)C1 ZINC000261981031 672906561 /nfs/dbraw/zinc/90/65/61/672906561.db2.gz RHYGOBDJGGPURZ-HSZRJFAPSA-N 1 0 353.557 2.338 20 30 FEEDRO C=CCNC(NC[C@@H]1CCS(=O)(=O)C1)=[NH+][C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC000262366548 672914247 /nfs/dbraw/zinc/91/42/47/672914247.db2.gz HUXMHTLTMTUUAH-LUKYLMHMSA-N 1 0 353.532 2.111 20 30 FEEDRO CS(=O)(=O)c1ccc(CNC(=[NH2+])N[C@@H]2CCOc3ccccc32)s1 ZINC000262427036 672915538 /nfs/dbraw/zinc/91/55/38/672915538.db2.gz RSERRSBLRNMGMJ-CYBMUJFWSA-N 1 0 365.480 2.080 20 30 FEEDRO CC[NH+]=C(NC[C@]1(O)CCSC1)N(C)Cc1nc2c(s1)CCCC2 ZINC000262451247 672916106 /nfs/dbraw/zinc/91/61/06/672916106.db2.gz WAFMVNXORBNTAC-QGZVFWFLSA-N 1 0 368.572 2.287 20 30 FEEDRO CC(C)C[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N[C@@H]1CC[C@H](C)[C@@H](C)C1 ZINC000262473548 672916373 /nfs/dbraw/zinc/91/63/73/672916373.db2.gz ZLBPXGDASPCNMQ-LUKYLMHMSA-N 1 0 357.564 2.437 20 30 FEEDRO C[NH+]=C(NCCOc1ccc(F)cc1F)N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000262455559 672916436 /nfs/dbraw/zinc/91/64/36/672916436.db2.gz WSOVEHSPKGALOB-APHBMKBZSA-N 1 0 353.413 2.322 20 30 FEEDRO C#CCNC(NC[C@H]1CCN(c2ccc(Br)cc2)C1)=[NH+]CC ZINC000262615680 672918383 /nfs/dbraw/zinc/91/83/83/672918383.db2.gz LSIICCDFFYJZSC-CQSZACIVSA-N 1 0 363.303 2.464 20 30 FEEDRO C[C@H]1C[NH+]=C(NC[C@H](c2ccc(Cl)cc2)N2CCOC(C)(C)C2)N1 ZINC000262653107 672918679 /nfs/dbraw/zinc/91/86/79/672918679.db2.gz KTVVIQVHZQAGSY-XJKSGUPXSA-N 1 0 350.894 2.429 20 30 FEEDRO C[NH+]=C(NC[C@@H](OC)C(C)(C)C)N1CCS(=O)(=O)C2(CCCCC2)C1 ZINC000262808788 672921279 /nfs/dbraw/zinc/92/12/79/672921279.db2.gz UOPXDMLEISZSQF-OAHLLOKOSA-N 1 0 373.563 2.056 20 30 FEEDRO C[NH+]=C(NCCc1ccc(Br)s1)N[C@@H]1CCN(C2CC2)C1 ZINC000262814545 672921292 /nfs/dbraw/zinc/92/12/92/672921292.db2.gz RPXJRVRCMQLUDA-LLVKDONJSA-N 1 0 371.348 2.455 20 30 FEEDRO [NH2+]=C(NCc1nccc(C(F)(F)F)n1)N[C@H]1CCOc2ccccc21 ZINC000263128715 672928312 /nfs/dbraw/zinc/92/83/12/672928312.db2.gz MUOKHIYKVHWWQW-NSHDSACASA-N 1 0 351.332 2.424 20 30 FEEDRO C[C@H]1C[C@H](NC(=O)Cc2ccc(Br)cc2C#N)CC[N@@H+]1C ZINC000593486375 672930043 /nfs/dbraw/zinc/93/00/43/672930043.db2.gz URJLVUHKFNXBQZ-XHDPSFHLSA-N 1 0 350.260 2.462 20 30 FEEDRO [NH2+]=C(NCCc1cccs1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000303867193 673018161 /nfs/dbraw/zinc/01/81/61/673018161.db2.gz CTPUERLEGDSWIL-UHFFFAOYSA-N 1 0 362.474 2.371 20 30 FEEDRO C[NH+]=C(NCCN1CCOCC1)NCC(C)(C)c1ccccc1Cl ZINC000303972021 673018850 /nfs/dbraw/zinc/01/88/50/673018850.db2.gz FJWWFHQNTZYPEG-UHFFFAOYSA-N 1 0 352.910 2.115 20 30 FEEDRO COC[C@@H](C)NC(=[NH2+])NC[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000304759950 673020955 /nfs/dbraw/zinc/02/09/55/673020955.db2.gz RSNYNLHKEAWBHL-HIFRSBDPSA-N 1 0 350.463 2.192 20 30 FEEDRO Cc1cnc([C@@H](C)CNC(=[NH2+])N2CCN(C(=O)OC(C)(C)C)CC2)s1 ZINC000305805477 673021874 /nfs/dbraw/zinc/02/18/74/673021874.db2.gz GERQFRPHACTETI-LBPRGKRZSA-N 1 0 367.519 2.422 20 30 FEEDRO CN(C(=O)c1ccc(Cl)c(C#N)c1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000612611342 676090260 /nfs/dbraw/zinc/09/02/60/676090260.db2.gz NMFDJGZEVNQZIB-KRWDZBQOSA-N 1 0 360.889 2.452 20 30 FEEDRO C#CCOc1ccc(Br)cc1C[NH2+]CCN1CCC(O)CC1 ZINC000322252059 673041665 /nfs/dbraw/zinc/04/16/65/673041665.db2.gz QJFWVEKADCYRJN-UHFFFAOYSA-N 1 0 367.287 2.007 20 30 FEEDRO N#Cc1ccc(Cl)c(NC(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC000594325721 673058547 /nfs/dbraw/zinc/05/85/47/673058547.db2.gz ITEHOFJXXVESPS-GDBMZVCRSA-N 1 0 360.845 2.283 20 30 FEEDRO N#CCCCC[C@H]([NH3+])C(=O)NCC(=O)Nc1cc(Cl)ccc1Cl ZINC000594425457 673070755 /nfs/dbraw/zinc/07/07/55/673070755.db2.gz JQLWLSACAQDTES-LBPRGKRZSA-N 1 0 357.241 2.459 20 30 FEEDRO CCOC(=O)c1sc([C@H](C)NC(=O)[C@@H]([NH3+])CCCCC#N)nc1C ZINC000594445790 673073074 /nfs/dbraw/zinc/07/30/74/673073074.db2.gz MCWRJZIZEHELNB-RYUDHWBXSA-N 1 0 352.460 2.217 20 30 FEEDRO CCOC(=O)c1sc([C@@H](C)NC(=O)[C@@H]([NH3+])CCCCC#N)nc1C ZINC000594445788 673073128 /nfs/dbraw/zinc/07/31/28/673073128.db2.gz MCWRJZIZEHELNB-NEPJUHHUSA-N 1 0 352.460 2.217 20 30 FEEDRO C[C@H](NS(=O)(=O)c1ccccc1)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000330064424 673085578 /nfs/dbraw/zinc/08/55/78/673085578.db2.gz RCASBHKJZRLFFD-FHERZECASA-N 1 0 365.499 2.327 20 30 FEEDRO N#Cc1cc(F)ccc1CS(=O)(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594483025 673086851 /nfs/dbraw/zinc/08/68/51/673086851.db2.gz HPZGUWTUUUIQAN-SJORKVTESA-N 1 0 351.447 2.134 20 30 FEEDRO C=CCOC[C@@H]1NC(=O)N(C[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)C1=O ZINC000348579706 673116432 /nfs/dbraw/zinc/11/64/32/673116432.db2.gz YEODMAVQLAZBGQ-YCPHGPKFSA-N 1 0 363.483 2.254 20 30 FEEDRO COCc1csc(C[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)c1 ZINC000594733211 673125793 /nfs/dbraw/zinc/12/57/93/673125793.db2.gz RUDTWCRCDIXENS-UHFFFAOYSA-N 1 0 350.465 2.330 20 30 FEEDRO COc1ccc(C[NH2+][C@@H]2CC[C@H](C)S(=O)(=O)C2)cc1OCCCC#N ZINC000594973967 673181564 /nfs/dbraw/zinc/18/15/64/673181564.db2.gz IKRONJMSKYXEJA-GOEBONIOSA-N 1 0 366.483 2.433 20 30 FEEDRO C[C@H](CCNC(=O)C(=O)Nc1scc(C(C)(C)C)c1C#N)[NH+](C)C ZINC000595124106 673198129 /nfs/dbraw/zinc/19/81/29/673198129.db2.gz DUAJBUWFVMBCLF-LLVKDONJSA-N 1 0 350.488 2.312 20 30 FEEDRO C[NH+](C)C1CCC2(CC1)CCN(S(=O)(=O)c1cncc(C#N)c1)CC2 ZINC000595343560 673228250 /nfs/dbraw/zinc/22/82/50/673228250.db2.gz BIEJAOBNDBJPAW-UHFFFAOYSA-N 1 0 362.499 2.228 20 30 FEEDRO CCC[N@@H+]1CC[C@H](NS(=O)(=O)c2cccc(Br)c2C#N)C1 ZINC000595353967 673231052 /nfs/dbraw/zinc/23/10/52/673231052.db2.gz KQZPGNYIAPUYFC-NSHDSACASA-N 1 0 372.288 2.083 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)NC[C@H]2CCC[N@H+](CC3CC3)C2)cc1F ZINC000595411448 673246157 /nfs/dbraw/zinc/24/61/57/673246157.db2.gz QBGXDQISGAEECR-CQSZACIVSA-N 1 0 351.447 2.098 20 30 FEEDRO CC(C)[N@H+](C)C[C@H](O)CN1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000595468251 673255077 /nfs/dbraw/zinc/25/50/77/673255077.db2.gz YFQUHALTLOGHGU-INIZCTEOSA-N 1 0 350.894 2.035 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CSCN2C(=O)OC(C)(C)C)CC1 ZINC000729977655 673255657 /nfs/dbraw/zinc/25/56/57/673255657.db2.gz YESUAEWNQHODTD-HNNXBMFYSA-N 1 0 369.531 2.453 20 30 FEEDRO C=CCCSCCNC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000595487014 673257229 /nfs/dbraw/zinc/25/72/29/673257229.db2.gz BULPEOJQQQWTEY-UHFFFAOYSA-N 1 0 354.564 2.154 20 30 FEEDRO C[C@@H](NC(=O)N1CCN(c2ccsc2C#N)CC1)C1=CC[N@H+](C)CC1 ZINC000595581485 673269542 /nfs/dbraw/zinc/26/95/42/673269542.db2.gz LGXBDFKRLZPLTM-CQSZACIVSA-N 1 0 359.499 2.102 20 30 FEEDRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)N2CCN(c3ccsc3C#N)CC2)C1 ZINC000595704370 673283875 /nfs/dbraw/zinc/28/38/75/673283875.db2.gz QARVUMXCKNBKFQ-AWEZNQCLSA-N 1 0 361.515 2.324 20 30 FEEDRO C[C@@H](c1ccccc1)[C@@H](CO)[NH2+]CCS(=O)(=O)c1cccc(C#N)c1 ZINC000613390103 676127035 /nfs/dbraw/zinc/12/70/35/676127035.db2.gz WPLIHNZGJDUVPU-HNAYVOBHSA-N 1 0 358.463 2.086 20 30 FEEDRO N#CCOc1ccc(C[NH+]2CCC(C(=O)NCC(F)(F)F)CC2)cc1 ZINC000731211674 673325501 /nfs/dbraw/zinc/32/55/01/673325501.db2.gz UTHJWIJIJSZNKH-UHFFFAOYSA-N 1 0 355.360 2.479 20 30 FEEDRO CCc1nc(C#N)cc(Sc2nnc(C3CC[NH2+]CC3)n2C2CC2)n1 ZINC000596132290 673361750 /nfs/dbraw/zinc/36/17/50/673361750.db2.gz WQYQNGQFPPIBPX-UHFFFAOYSA-N 1 0 355.471 2.455 20 30 FEEDRO C=CCCSCCNC(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000596717308 673406865 /nfs/dbraw/zinc/40/68/65/673406865.db2.gz LKACFXHVCHOPMI-UHFFFAOYSA-N 1 0 368.591 2.355 20 30 FEEDRO CCOCCC[N@@H+]1CCC(=NNS(=O)(=O)Cc2ccccc2)[C@H](C)C1 ZINC000735229828 673486937 /nfs/dbraw/zinc/48/69/37/673486937.db2.gz SKHISWIQAUAETO-MRXNPFEDSA-N 1 0 367.515 2.230 20 30 FEEDRO CCN(C(=O)COc1ccc(C#N)c(Br)c1)[C@H]1CC[N@H+](C)C1 ZINC000597947454 673522563 /nfs/dbraw/zinc/52/25/63/673522563.db2.gz YSAVOALSHUZAHZ-ZDUSSCGKSA-N 1 0 366.259 2.252 20 30 FEEDRO C=CC[C@@H](CC)NC(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000541379341 673551766 /nfs/dbraw/zinc/55/17/66/673551766.db2.gz IGHGCGINDOQAPG-MRXNPFEDSA-N 1 0 352.523 2.267 20 30 FEEDRO CC(C)(C#N)C[C@H](O)C[NH2+]C[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000598700142 673599910 /nfs/dbraw/zinc/59/99/10/673599910.db2.gz LKQVNEBUPPPVBO-KBPBESRZSA-N 1 0 360.376 2.335 20 30 FEEDRO CC(C)(C#N)C[C@@H](O)C[NH2+]C[C@@H](CO)Cc1ccc(Br)cc1 ZINC000598730123 673603990 /nfs/dbraw/zinc/60/39/90/673603990.db2.gz QZARPEZBJSRVBH-GOEBONIOSA-N 1 0 369.303 2.490 20 30 FEEDRO CCN(CC)C(=O)CCC1CC[NH+]([C@@H](C)C(=O)N(C)CCC#N)CC1 ZINC000542981287 673618934 /nfs/dbraw/zinc/61/89/34/673618934.db2.gz ROAIQCDVHSGHMG-INIZCTEOSA-N 1 0 350.507 2.108 20 30 FEEDRO Cc1cc(C#N)ccc1S(=O)(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000599105556 673633762 /nfs/dbraw/zinc/63/37/62/673633762.db2.gz YUKSYHVQRMPBCR-CHWSQXEVSA-N 1 0 361.389 2.015 20 30 FEEDRO CCOC(=O)C1([N@H+](C)C[C@@H](O)CC2(C#N)CCOCC2)CCCCC1 ZINC000599330472 673660133 /nfs/dbraw/zinc/66/01/33/673660133.db2.gz ADTJGKUSMRHOOU-INIZCTEOSA-N 1 0 352.475 2.256 20 30 FEEDRO C[C@H]([NH2+]C[C@H](O)CC1(C#N)CCOCC1)c1ccc([S@@](C)=O)cc1 ZINC000599352586 673662802 /nfs/dbraw/zinc/66/28/02/673662802.db2.gz CYSGPCVSGJJASZ-GMBGOVJBSA-N 1 0 350.484 2.146 20 30 FEEDRO C[C@@H]1CC[C@@H](NC(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)C[NH2+]1 ZINC000599603797 673696361 /nfs/dbraw/zinc/69/63/61/673696361.db2.gz IZRLZVSEVAIMDT-DGCLKSJQSA-N 1 0 358.833 2.659 20 30 FEEDRO N#Cc1ccc(SCC(=O)N2CCC([N@@H+]3CCCOCC3)CC2)cc1 ZINC000600006793 673733654 /nfs/dbraw/zinc/73/36/54/673733654.db2.gz HTBCRMFKOHLKRE-UHFFFAOYSA-N 1 0 359.495 2.364 20 30 FEEDRO N#CC1(C[C@@H](O)C[NH2+]C[C@H](c2ccccc2Cl)N2CCOCC2)CC1 ZINC000600718209 673794360 /nfs/dbraw/zinc/79/43/60/673794360.db2.gz OJXWEMQXOYXCRR-CRAIPNDOSA-N 1 0 363.889 2.358 20 30 FEEDRO Cc1cccc2c1C[C@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)CO2 ZINC000600744789 673795886 /nfs/dbraw/zinc/79/58/86/673795886.db2.gz DBJOGOSSPRUSTJ-INIZCTEOSA-N 1 0 356.447 2.234 20 30 FEEDRO CC(C)(C)OC(=O)C1(C[NH2+]C[C@@H](O)CC2(C#N)CCOCC2)CCC1 ZINC000600742516 673795992 /nfs/dbraw/zinc/79/59/92/673795992.db2.gz DJTSGTSMFJSPTR-HNNXBMFYSA-N 1 0 352.475 2.159 20 30 FEEDRO CC1([NH+]2CCCC2)CCN(S(=O)(=O)c2ccc(F)c(C#N)c2)CC1 ZINC000601497511 673870965 /nfs/dbraw/zinc/87/09/65/673870965.db2.gz ZMVUGWJVDVRPOS-UHFFFAOYSA-N 1 0 351.447 2.336 20 30 FEEDRO CC[NH+](CC)[C@H](CNC(=O)N1CCN(CCC#N)CC1)c1ccsc1 ZINC000601548663 673880598 /nfs/dbraw/zinc/88/05/98/673880598.db2.gz CUFGQZBSCJAZEY-QGZVFWFLSA-N 1 0 363.531 2.372 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+]CC2([C@H]3CCCCO3)CCC2)nc1 ZINC000601969669 673900458 /nfs/dbraw/zinc/90/04/58/673900458.db2.gz RTLDHNWUNDJZQB-MRXNPFEDSA-N 1 0 363.483 2.056 20 30 FEEDRO N#Cc1cccc(CN2CCC([NH2+][C@@H]3CCCS(=O)(=O)CC3)CC2)c1 ZINC000602028818 673901405 /nfs/dbraw/zinc/90/14/05/673901405.db2.gz QAKCFOOMRFPOPK-GOSISDBHSA-N 1 0 361.511 2.080 20 30 FEEDRO N#Cc1c(NC(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)nc2n1CCS2 ZINC000602260630 673903808 /nfs/dbraw/zinc/90/38/08/673903808.db2.gz MUYOWXXAPVLXFL-CQSZACIVSA-N 1 0 353.451 2.321 20 30 FEEDRO C[C@@H](CNS(=O)(=O)c1cc(Br)cc(C#N)c1)[NH+]1CCCC1 ZINC000548043436 673917465 /nfs/dbraw/zinc/91/74/65/673917465.db2.gz FFIAZNQOAQZASD-NSHDSACASA-N 1 0 372.288 2.083 20 30 FEEDRO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)n1cc(C[C@@H]2CC[NH2+]C2)nn1 ZINC000603188539 673918599 /nfs/dbraw/zinc/91/85/99/673918599.db2.gz LQRDTKFRJNTGAU-NEPJUHHUSA-N 1 0 358.833 2.155 20 30 FEEDRO N#Cc1ccc(Cn2cc([C@@H]([NH3+])[C@H]3CCCO3)nn2)c(Br)c1 ZINC000603243296 673919645 /nfs/dbraw/zinc/91/96/45/673919645.db2.gz JWMNCOCOAMGLHG-HUUCEWRRSA-N 1 0 362.231 2.139 20 30 FEEDRO N#Cc1cc(Br)ccc1Cn1cc([C@H]([NH3+])[C@H]2CCCO2)nn1 ZINC000603241334 673919754 /nfs/dbraw/zinc/91/97/54/673919754.db2.gz KKDKCNSATOMMLC-CABCVRRESA-N 1 0 362.231 2.139 20 30 FEEDRO N#Cc1ccc(Cn2cc([C@@H]([NH3+])[C@@H]3CCCO3)nn2)c(Br)c1 ZINC000603243297 673919805 /nfs/dbraw/zinc/91/98/05/673919805.db2.gz JWMNCOCOAMGLHG-LSDHHAIUSA-N 1 0 362.231 2.139 20 30 FEEDRO C[NH+](C)[C@@H](CNc1ccc(C#N)cc1CS(N)(=O)=O)C1CCCCC1 ZINC000603274041 673920500 /nfs/dbraw/zinc/92/05/00/673920500.db2.gz HNNSNQXBUKIIDG-SFHVURJKSA-N 1 0 364.515 2.269 20 30 FEEDRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+]C[C@H](C#N)CCC#N)s1 ZINC000548786988 673996125 /nfs/dbraw/zinc/99/61/25/673996125.db2.gz QCXLKLOTLHVCHA-AWEZNQCLSA-N 1 0 368.528 2.354 20 30 FEEDRO C=CCNS(=O)(=O)c1cccc(-c2nc([C@H]([NH3+])CC(C)C)no2)c1 ZINC000566561743 675224774 /nfs/dbraw/zinc/22/47/74/675224774.db2.gz YODIJHOCZYSSEJ-CQSZACIVSA-N 1 0 350.444 2.247 20 30 FEEDRO C#CC[N@@H+](C)CCCNC(=O)[C@]1(CC)CCCN1C(=O)OC(C)(C)C ZINC000818592845 675226537 /nfs/dbraw/zinc/22/65/37/675226537.db2.gz BHFXYGBBTIASDZ-IBGZPJMESA-N 1 0 351.491 2.237 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)CSc1nccn1-c1ccccc1C ZINC000818595970 675227152 /nfs/dbraw/zinc/22/71/52/675227152.db2.gz WYVKDSFNISNJTL-UHFFFAOYSA-N 1 0 356.495 2.344 20 30 FEEDRO Cc1ccc(OC[C@@H](C)[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)cc1 ZINC000818982323 675249475 /nfs/dbraw/zinc/24/94/75/675249475.db2.gz KOAWHVYGETVFIV-OAHLLOKOSA-N 1 0 359.451 2.093 20 30 FEEDRO C=C(C)CC[NH2+]CCS(=O)(=O)c1ccccc1S(=O)(=O)CCC ZINC000566968867 675256885 /nfs/dbraw/zinc/25/68/85/675256885.db2.gz KFTJRICXVXTZBP-UHFFFAOYSA-N 1 0 359.513 2.200 20 30 FEEDRO C#C[C@H](NC(=O)N1CC[N@@H+](C[C@@H](C)O)C[C@@H]1C)c1ccc(Cl)cc1F ZINC000820749404 675384738 /nfs/dbraw/zinc/38/47/38/675384738.db2.gz AMCRRSUQDMIMBT-AHIWAGSCSA-N 1 0 367.852 2.250 20 30 FEEDRO C=C(C)Cn1c(-c2sccc2C)nnc1N1CCN2CCOC[C@H]2C1 ZINC000569006062 675417018 /nfs/dbraw/zinc/41/70/18/675417018.db2.gz HSFLVIFWWZAMQH-OAHLLOKOSA-N 1 0 359.499 2.412 20 30 FEEDRO N#Cc1ccc(N[C@H]2CC[N@@H+](C3CCCCC3)C2)c(CS(N)(=O)=O)c1 ZINC000603415293 675798391 /nfs/dbraw/zinc/79/83/91/675798391.db2.gz YGQQKXVXIDYULN-INIZCTEOSA-N 1 0 362.499 2.166 20 30 FEEDRO C[NH+]1CCC(OCC(=O)N[C@H](c2cccc(C#N)c2)C(F)(F)F)CC1 ZINC000828696353 675837511 /nfs/dbraw/zinc/83/75/11/675837511.db2.gz VWZVRWONOXFOQU-MRXNPFEDSA-N 1 0 355.360 2.389 20 30 FEEDRO O=C(C[N@@H+](CCCO)C1CC1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000607153076 675856099 /nfs/dbraw/zinc/85/60/99/675856099.db2.gz QPXQBLPDKGOYTQ-UHFFFAOYSA-N 1 0 354.372 2.020 20 30 FEEDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)Cc2ccc(C#N)cc2F)C[C@@H]1C ZINC000616419010 676249646 /nfs/dbraw/zinc/24/96/46/676249646.db2.gz HASOOBYQOBUHTL-XJKSGUPXSA-N 1 0 353.463 2.332 20 30 FEEDRO C[NH+](C)[C@@H](CNS(=O)(=O)c1cccc(CC#N)c1)Cc1ccccc1 ZINC000619473395 676378919 /nfs/dbraw/zinc/37/89/19/676378919.db2.gz MCYNYDIVMYEDFB-GOSISDBHSA-N 1 0 357.479 2.204 20 30 FEEDRO C[NH+](C)CCN1CCC(NC(=O)NCc2ccc(C#N)c(Cl)c2)CC1 ZINC000619811854 676395696 /nfs/dbraw/zinc/39/56/96/676395696.db2.gz KXAOGUNSLHJYJI-UHFFFAOYSA-N 1 0 363.893 2.037 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)C(=O)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000625368750 676643161 /nfs/dbraw/zinc/64/31/61/676643161.db2.gz NOGODKABRHBVMD-MRXNPFEDSA-N 1 0 361.511 2.396 20 30 FEEDRO C=CCn1cc(C(=O)N(C)C[C@H]2CC[N@H+](Cc3ccc(C)s3)C2)nn1 ZINC000652032497 677468351 /nfs/dbraw/zinc/46/83/51/677468351.db2.gz ZFAGBMPEUBWGTE-OAHLLOKOSA-N 1 0 359.499 2.428 20 30 FEEDRO C=CC[C@H]1CCCN(S(=O)(=O)c2c(C)nn(CC[NH+](C)C)c2C)C1 ZINC000657094799 677943585 /nfs/dbraw/zinc/94/35/85/677943585.db2.gz YZCXVWBOKUHHDN-INIZCTEOSA-N 1 0 354.520 2.038 20 30 FEEDRO C=CCCO[C@@H](C)C(=O)N1CC[C@@H](c2ccc(OC)c(F)c2)[C@@H]([NH3+])C1 ZINC000658953726 678140254 /nfs/dbraw/zinc/14/02/54/678140254.db2.gz OOLUTDNLWZOLOZ-QRTARXTBSA-N 1 0 350.434 2.459 20 30 FEEDRO C=CC[C@@H]1CCCC[C@H]1NC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000659537787 678187176 /nfs/dbraw/zinc/18/71/76/678187176.db2.gz IEZSOJMNVVDGHI-RBSFLKMASA-N 1 0 362.440 2.257 20 30 FEEDRO C[C@H](CCC#N)[N@@H+]1CCC[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C1 ZINC000839476215 680754901 /nfs/dbraw/zinc/75/49/01/680754901.db2.gz BKPCMXYZBGVGDP-HUUCEWRRSA-N 1 0 352.479 2.032 20 30 FEEDRO C=CCC1([NH2+]CC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)CCCC1 ZINC000661865566 678544014 /nfs/dbraw/zinc/54/40/14/678544014.db2.gz QXHOUSQYNJRODA-UHFFFAOYSA-N 1 0 365.499 2.354 20 30 FEEDRO C=C[C@H](CO)[NH2+][C@H]1CCCN(c2ccc(Br)c(C)c2)C1=O ZINC000662168712 678585120 /nfs/dbraw/zinc/58/51/20/678585120.db2.gz ROKQTPLLDVNKHG-DOMZBBRYSA-N 1 0 353.260 2.389 20 30 FEEDRO C=CC[C@@]1(C(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)CCC[NH2+]1 ZINC000662433425 678620347 /nfs/dbraw/zinc/62/03/47/678620347.db2.gz FWKIVDSKDJRSJX-SFHVURJKSA-N 1 0 363.483 2.108 20 30 FEEDRO C=CC[C@]1(C(=O)N2CCN(C(=O)c3ccc(Cl)cc3)CC2)CCC[NH2+]1 ZINC000662464570 678625015 /nfs/dbraw/zinc/62/50/15/678625015.db2.gz JINNAIOYOMTBJE-LJQANCHMSA-N 1 0 361.873 2.323 20 30 FEEDRO C=CC[C@]1(C(=O)NCc2nc3cc(Br)cnc3[nH]2)CCC[NH2+]1 ZINC000662745506 678657618 /nfs/dbraw/zinc/65/76/18/678657618.db2.gz MNGCIFVXSQPUNI-OAHLLOKOSA-N 1 0 364.247 2.035 20 30 FEEDRO C#CCC[NH+]1CCC(NS(=O)(=O)Cc2ccc(F)c(Cl)c2)CC1 ZINC000840952238 680856617 /nfs/dbraw/zinc/85/66/17/680856617.db2.gz XKXZGUPWTGOMPG-UHFFFAOYSA-N 1 0 358.866 2.386 20 30 FEEDRO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(Cc3ccc(C#N)s3)CC2(C)C)CC[N@@H+]1C ZINC000974604056 679962780 /nfs/dbraw/zinc/96/27/80/679962780.db2.gz DLPGZRYRNCIZJS-KBRIMQKVSA-N 1 0 360.527 2.287 20 30 FEEDRO C#CCC[NH+]1CCC(NS(=O)(=O)c2cc(OC)ccc2Cl)CC1 ZINC000748671215 679985995 /nfs/dbraw/zinc/98/59/95/679985995.db2.gz FHRIGSBLFLUVOO-UHFFFAOYSA-N 1 0 356.875 2.115 20 30 FEEDRO C=C(C)[C@@H](CO)[N@@H+]1C[C@@H](CNC(=O)OC(C)(C)C)C2(C1)CCOCC2 ZINC000832031415 680079282 /nfs/dbraw/zinc/07/92/82/680079282.db2.gz ZTIUUOFPCBWKBV-HZPDHXFCSA-N 1 0 354.491 2.177 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCc2c(F)cccc2F)C1 ZINC001019407737 680092575 /nfs/dbraw/zinc/09/25/75/680092575.db2.gz SFSHTYVWWRTNDU-JOQOYGCGSA-N 1 0 350.409 2.289 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N[C@@H](C)CCCNC(=O)OC(C)(C)C)CC1 ZINC000833173088 680189689 /nfs/dbraw/zinc/18/96/89/680189689.db2.gz VDLDWUCGLCAOFQ-HNNXBMFYSA-N 1 0 351.491 2.141 20 30 FEEDRO C#C[C@@H](NC(=O)[C@@H](C)C[NH+]1CCOCC1)c1ccc(Br)cc1 ZINC000833231284 680191656 /nfs/dbraw/zinc/19/16/56/680191656.db2.gz SHQHMLXFJXNYHH-XJKSGUPXSA-N 1 0 365.271 2.208 20 30 FEEDRO C=CCn1c(CC[NH+]2CCCCC2)nn(CN2CC[C@H](OC)C2)c1=S ZINC000751946752 680211572 /nfs/dbraw/zinc/21/15/72/680211572.db2.gz JCCCBXBLCHNDTF-INIZCTEOSA-N 1 0 365.547 2.307 20 30 FEEDRO C=C(Cl)C(C)(C)C(=O)N1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@H](C)C1 ZINC000994091729 680215773 /nfs/dbraw/zinc/21/57/73/680215773.db2.gz ITQMTAUCQOAIOW-RRCSTGOVSA-N 1 0 369.937 2.316 20 30 FEEDRO CC[C@H](Cc1cccc(Br)c1)C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000834489770 680234250 /nfs/dbraw/zinc/23/42/50/680234250.db2.gz PIACPCPWORBVGS-IPYPFGDCSA-N 1 0 350.260 2.246 20 30 FEEDRO CCCOc1ccc(-c2nc(C(=O)N[C@@H]3C[NH2+]C[C@H]3C#N)cs2)cc1 ZINC000834493715 680234851 /nfs/dbraw/zinc/23/48/51/680234851.db2.gz GSIVGTJKLZTBIW-UKRRQHHQSA-N 1 0 356.451 2.440 20 30 FEEDRO C=CCS(=O)(=O)CC[NH2+][C@@H](CC)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000834761525 680264389 /nfs/dbraw/zinc/26/43/89/680264389.db2.gz RKPVGIJAYQCNEY-GJZGRUSLSA-N 1 0 360.520 2.355 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](CCc2scnc2C)C1 ZINC001023599520 680265015 /nfs/dbraw/zinc/26/50/15/680265015.db2.gz MRPKBMQVJWBGEV-ZACQAIPSSA-N 1 0 363.527 2.413 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@]2(C)C[N@@H+](C[C@@H](CC)OC)C[C@]2(C)C1 ZINC000982574983 680281303 /nfs/dbraw/zinc/28/13/03/680281303.db2.gz QRKYYLRMXRAEHI-VROUVPMXSA-N 1 0 350.503 2.173 20 30 FEEDRO C=C(Cl)CN1C[C@]2(C)CN(C(=O)[C@@H]3C[C@H]3c3cnn(C)c3)C[C@]2(C)C1 ZINC000982583121 680281637 /nfs/dbraw/zinc/28/16/37/680281637.db2.gz HMXMHFGDVVWCKP-OGWHTMIXSA-N 1 0 362.905 2.447 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]Cc2cc(OC)ns2)C1 ZINC001024164755 680282584 /nfs/dbraw/zinc/28/25/84/680282584.db2.gz HCZIMJBFDWRCMV-IMJJTQAJSA-N 1 0 365.499 2.071 20 30 FEEDRO Ic1ccccc1C=NNC1=[NH+][C@H]2CCCC[C@@H]2N1 ZINC000753937013 680325190 /nfs/dbraw/zinc/32/51/90/680325190.db2.gz VFGVOSCPFOTTOV-STQMWFEESA-N 1 0 368.222 2.485 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]([NH2+]CCc2scnc2C)C(C)(C)C1 ZINC000996331603 680328857 /nfs/dbraw/zinc/32/88/57/680328857.db2.gz RSMRTSBJXKWCDU-VYDXJSESSA-N 1 0 363.527 2.412 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CCC([NH2+]Cc2cnns2)CC1 ZINC001026575178 680347681 /nfs/dbraw/zinc/34/76/81/680347681.db2.gz DTIJVOZEKBYHEP-BGHVQYPCSA-N 1 0 350.488 2.036 20 30 FEEDRO C=CCC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)CC1 ZINC000997168450 680347974 /nfs/dbraw/zinc/34/79/74/680347974.db2.gz FQDKUGXOHRMPNJ-YUELXQCFSA-N 1 0 364.408 2.126 20 30 FEEDRO C#CCOc1cc(F)ccc1NC(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000754444585 680356339 /nfs/dbraw/zinc/35/63/39/680356339.db2.gz FJQIRTCKOPOVDA-KRWDZBQOSA-N 1 0 351.447 2.397 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2csnc2OC)CC1 ZINC000998093682 680375114 /nfs/dbraw/zinc/37/51/14/680375114.db2.gz BQMHIJJWTNXHAO-CVEARBPZSA-N 1 0 365.499 2.071 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@H](CC)OC ZINC001029508651 680390056 /nfs/dbraw/zinc/39/00/56/680390056.db2.gz NKDAMKUGQRMDRY-PJVZLEMVSA-N 1 0 350.503 2.458 20 30 FEEDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNc2cccc(S(N)(=O)=O)c2C#N)C1 ZINC000754978599 680391432 /nfs/dbraw/zinc/39/14/32/680391432.db2.gz WVNPUTZBQIDJCC-HUUCEWRRSA-N 1 0 364.515 2.376 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC(C[N@H+](C)C[C@@H]2CCOC2)CC1 ZINC001030003019 680396194 /nfs/dbraw/zinc/39/61/94/680396194.db2.gz VMZKVXNNDZIPOQ-FHWLQOOXSA-N 1 0 350.503 2.175 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+][C@@H](C)c2nnc(C)s2)C1 ZINC000984919191 680396675 /nfs/dbraw/zinc/39/66/75/680396675.db2.gz GMKVBGLZJGMOFF-YDMUCJKGSA-N 1 0 364.515 2.373 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2csnc2OC)C1 ZINC000984919454 680396736 /nfs/dbraw/zinc/39/67/36/680396736.db2.gz HWIDFJMZQSUEES-TUUVXOQKSA-N 1 0 365.499 2.117 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]C[C@@H]2CC(C)(C)CO2)C1 ZINC000984921536 680397113 /nfs/dbraw/zinc/39/71/13/680397113.db2.gz QXZPYMANDNRAPI-ATIWLJMLSA-N 1 0 350.503 2.267 20 30 FEEDRO C=C(Br)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C1 ZINC000999413581 680402790 /nfs/dbraw/zinc/40/27/90/680402790.db2.gz RXEBWEYMHWIXNR-YNEHKIRRSA-N 1 0 353.264 2.002 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)NCC1C[NH+](CCCC2CCOCC2)C1 ZINC001031680915 680406058 /nfs/dbraw/zinc/40/60/58/680406058.db2.gz WDNJAUAKQDJYAI-MOPGFXCFSA-N 1 0 350.503 2.222 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](CC2CCOCC2)C1 ZINC001033496411 680424462 /nfs/dbraw/zinc/42/44/62/680424462.db2.gz KCZAQKVPKZOREH-QYZOEREBSA-N 1 0 350.503 2.317 20 30 FEEDRO C[NH+](C)CCCNC(=S)NN=Cc1c[nH]nc1-c1cccc(Cl)c1 ZINC000755721925 680430765 /nfs/dbraw/zinc/43/07/65/680430765.db2.gz NPWJMNMISOIPKJ-UHFFFAOYSA-N 1 0 364.906 2.480 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]Cc2cc(OC)ns2)C1 ZINC001000427219 680431837 /nfs/dbraw/zinc/43/18/37/680431837.db2.gz MOYMQCROVCAOOY-QRTARXTBSA-N 1 0 365.499 2.214 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)NCCc1ccc(Br)cc1 ZINC000836309274 680448377 /nfs/dbraw/zinc/44/83/77/680448377.db2.gz KMFZTMZCITVDEW-UHFFFAOYSA-N 1 0 352.276 2.246 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)NC1CC[NH+](C[C@H](OC)C2CCCC2)CC1 ZINC001003652769 680537891 /nfs/dbraw/zinc/53/78/91/680537891.db2.gz OXCMXGXETAVHHZ-QYZOEREBSA-N 1 0 350.503 2.363 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1C[NH+](CCCC2CCOCC2)C1 ZINC001042742242 680541004 /nfs/dbraw/zinc/54/10/04/680541004.db2.gz JGVWJLCNLFKLFZ-MOPGFXCFSA-N 1 0 350.503 2.317 20 30 FEEDRO C=C(C[NH+](C)C)C(=O)N[C@@H](CCNC(=O)OC(C)(C)C)C(F)(F)F ZINC000837127224 680556335 /nfs/dbraw/zinc/55/63/35/680556335.db2.gz VTAJXQYJOSTXIV-NSHDSACASA-N 1 0 353.385 2.066 20 30 FEEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=S)NC[C@@H]1CCCCO1 ZINC000758211739 680562454 /nfs/dbraw/zinc/56/24/54/680562454.db2.gz CVIJNHMYLGTORK-SFHVURJKSA-N 1 0 360.527 2.365 20 30 FEEDRO C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1Nc1nc(C#N)c(Cl)s1 ZINC001043359088 680577529 /nfs/dbraw/zinc/57/75/29/680577529.db2.gz REQUQEGFZIJRCT-OASPWFOLSA-N 1 0 367.906 2.267 20 30 FEEDRO C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H](C)[C@H](Nc3ncc(C#N)cc3Cl)C2)C1 ZINC001043518063 680585620 /nfs/dbraw/zinc/58/56/20/680585620.db2.gz QEEJRBYGIQNLOZ-XJKCOSOUSA-N 1 0 361.877 2.207 20 30 FEEDRO C[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1Nc1ncc(C#N)cc1Cl ZINC001043518062 680585883 /nfs/dbraw/zinc/58/58/83/680585883.db2.gz QEEJRBYGIQNLOZ-WOSRLPQWSA-N 1 0 361.877 2.207 20 30 FEEDRO C=C(Cl)C(C)(C)C(=O)N1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001007191461 680631533 /nfs/dbraw/zinc/63/15/33/680631533.db2.gz ZCSOKQBBHRQXMD-DOXZYTNZSA-N 1 0 367.921 2.357 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC2(CO1)CC[NH+](CC(C)C)CC2 ZINC001045678095 680637983 /nfs/dbraw/zinc/63/79/83/680637983.db2.gz KMINJFOMVBMJIC-KURKYZTESA-N 1 0 350.503 2.221 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CC2(CO1)CC[NH+](C/C=C\Cl)CC2 ZINC001045678067 680638024 /nfs/dbraw/zinc/63/80/24/680638024.db2.gz JSXHYILUNINGMQ-WYWBDANFSA-N 1 0 368.905 2.317 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC2(CO1)CC[NH+](C/C=C\Cl)CC2 ZINC001045678066 680638143 /nfs/dbraw/zinc/63/81/43/680638143.db2.gz JSXHYILUNINGMQ-LBSYWRCJSA-N 1 0 368.905 2.317 20 30 FEEDRO O=C(N[C@H]1CCCN(CC#Cc2cccc(Cl)c2)C1)[C@]12C[C@H]1COC2 ZINC001007381013 680639006 /nfs/dbraw/zinc/63/90/06/680639006.db2.gz WDVSAIAYOKRJGN-QRFRQXIXSA-N 1 0 358.869 2.309 20 30 FEEDRO C=C(Cl)C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1C[C@H]1C(=O)N(C)C)C2 ZINC001045967203 680642447 /nfs/dbraw/zinc/64/24/47/680642447.db2.gz PNPYGCXTKNSDNT-GJYPPUQNSA-N 1 0 367.921 2.168 20 30 FEEDRO C=C(C)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2ccc(F)cc2F)C1 ZINC001047468254 680664265 /nfs/dbraw/zinc/66/42/65/680664265.db2.gz YSIIESJZMRVNGX-MVJTYMMSSA-N 1 0 350.409 2.148 20 30 FEEDRO C#CCOc1ccc(Br)cc1C[NH2+][C@H](CO)[C@@H](O)CCC ZINC000842224723 680933547 /nfs/dbraw/zinc/93/35/47/680933547.db2.gz FCLFNDWXZGUGES-CABCVRRESA-N 1 0 356.260 2.073 20 30 FEEDRO CCOCCC[NH+]=C(NCc1nnc2n1CCCCC2)NC(C)(C)C ZINC000912498833 685386921 /nfs/dbraw/zinc/38/69/21/685386921.db2.gz JPGRFRXQFLWNST-UHFFFAOYSA-N 1 0 350.511 2.265 20 30 FEEDRO C=CCS(=O)(=O)CC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC000842696307 680960138 /nfs/dbraw/zinc/96/01/38/680960138.db2.gz UOBQOAUNLKCUCN-OWCLPIDISA-N 1 0 372.531 2.212 20 30 FEEDRO CC(C)(C)c1csc(NC(=O)C(=O)NCCCCCC[NH3+])c1C#N ZINC000843053649 680984826 /nfs/dbraw/zinc/98/48/26/680984826.db2.gz PQVBUQGCVPRKHG-UHFFFAOYSA-N 1 0 350.488 2.491 20 30 FEEDRO CCc1ccc([C@H](O)C[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)cc1 ZINC000843091219 680986995 /nfs/dbraw/zinc/98/69/95/680986995.db2.gz ATEVEVVQNQBZGS-LJQANCHMSA-N 1 0 358.463 2.218 20 30 FEEDRO C[C@@H]1CC[N@H+](CC(=O)N[C@H]2CCN(c3snc(Cl)c3C#N)[C@@H]2C)C1 ZINC001051014598 681059916 /nfs/dbraw/zinc/05/99/16/681059916.db2.gz ABICNWOBGVMPAW-WZRBSPASSA-N 1 0 367.906 2.093 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCC2(C[NH+](CCC(C)C)C2)O1 ZINC001053675092 681103518 /nfs/dbraw/zinc/10/35/18/681103518.db2.gz FFGQYFCHOZIKEY-SQNIBIBYSA-N 1 0 350.503 2.363 20 30 FEEDRO C[C@@H]1CC(N=Nc2ccccc2S(N)(=O)=O)C[N@@H+]1Cc1ccccc1 ZINC000773120782 681126424 /nfs/dbraw/zinc/12/64/24/681126424.db2.gz JOIZBNMCHQURDU-CQSZACIVSA-N 1 0 358.467 2.396 20 30 FEEDRO C[C@@H]1[C@H](C(=O)N2CCC[C@H](Nc3nc(C#N)c(Cl)s3)C2)CC[N@@H+]1C ZINC001057771160 681164251 /nfs/dbraw/zinc/16/42/51/681164251.db2.gz VVSIOFCDSJKQPW-GRYCIOLGSA-N 1 0 367.906 2.411 20 30 FEEDRO C#C[C@H](CC)NC(=O)C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000845949809 681164483 /nfs/dbraw/zinc/16/44/83/681164483.db2.gz REGGFRWNIXBVTN-OAHLLOKOSA-N 1 0 359.495 2.341 20 30 FEEDRO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCN(c3snc(C)c3C#N)C2)CC[N@@H+]1C ZINC001058257942 681169725 /nfs/dbraw/zinc/16/97/25/681169725.db2.gz JLYHPTHPUDSXNV-IJEWVQPXSA-N 1 0 361.515 2.139 20 30 FEEDRO C[N@@H+](Cc1cnc(N2CCOCC2)s1)C[C@H](O)c1cccc(C#N)c1 ZINC000846006903 681172823 /nfs/dbraw/zinc/17/28/23/681172823.db2.gz LFBCYVPLUIAKLB-KRWDZBQOSA-N 1 0 358.467 2.017 20 30 FEEDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(c2ccc(S(N)(=O)=O)cc2C#N)C1 ZINC000774519543 681198112 /nfs/dbraw/zinc/19/81/12/681198112.db2.gz RVHRPOTXHNNCTH-IJEWVQPXSA-N 1 0 362.499 2.047 20 30 FEEDRO C#CCCCNC(=O)C(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000774922420 681251424 /nfs/dbraw/zinc/25/14/24/681251424.db2.gz XHRFBQLSTLMQKL-MRXNPFEDSA-N 1 0 361.511 2.167 20 30 FEEDRO C=C(Cl)C(C)(C)C(=O)N1CCC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000946852665 681265189 /nfs/dbraw/zinc/26/51/89/681265189.db2.gz SKBJAVNRIMGVDN-IUODEOHRSA-N 1 0 355.910 2.213 20 30 FEEDRO CCC1([NH+]2CCOCC2)CCN(C(=O)N[C@H](CC#N)C(F)(F)F)CC1 ZINC000932895748 681324578 /nfs/dbraw/zinc/32/45/78/681324578.db2.gz SVESHEWWFXJERB-CYBMUJFWSA-N 1 0 362.396 2.117 20 30 FEEDRO N#CC[C@H](NC(=O)NCC1([NH+]2CCSCC2)CCCC1)C(F)(F)F ZINC000932925572 681329250 /nfs/dbraw/zinc/32/92/50/681329250.db2.gz RZCFGUJGNFEVPO-LBPRGKRZSA-N 1 0 364.437 2.492 20 30 FEEDRO N#CC[C@@H](NC(=O)NC1CC[NH+](Cc2ccncc2)CC1)C(F)(F)F ZINC000932927432 681329755 /nfs/dbraw/zinc/32/97/55/681329755.db2.gz RMPDJNNZPQOYTI-CQSZACIVSA-N 1 0 355.364 2.190 20 30 FEEDRO N#CC[C@H](NC(=O)NCC1([NH+]2CCOCC2)CCCCC1)C(F)(F)F ZINC000932928812 681330008 /nfs/dbraw/zinc/33/00/08/681330008.db2.gz SHGCZRQYCDVXLL-ZDUSSCGKSA-N 1 0 362.396 2.165 20 30 FEEDRO O=C1NCCC[C@@H]1[NH+]1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932948681 681334095 /nfs/dbraw/zinc/33/40/95/681334095.db2.gz LVGOCKPWQUVQAA-PRJMDXOYSA-N 1 0 366.252 2.368 20 30 FEEDRO CC[N@H+](CCC(=O)NC)CC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000933863536 681475995 /nfs/dbraw/zinc/47/59/95/681475995.db2.gz MDGFGGYWAAREIL-CQSZACIVSA-N 1 0 362.499 2.335 20 30 FEEDRO CC[N@H+](CCC(=O)NC)CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000933869716 681476972 /nfs/dbraw/zinc/47/69/72/681476972.db2.gz ZFZOAISSBKKEHU-UHFFFAOYSA-N 1 0 350.850 2.045 20 30 FEEDRO CC[N@H+](CCC(=O)NC)CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000933869270 681476980 /nfs/dbraw/zinc/47/69/80/681476980.db2.gz RUUPSTHZBJTDBW-UHFFFAOYSA-N 1 0 362.499 2.285 20 30 FEEDRO COC(=O)[C@H]1C[N@@H+]([C@H](C)CCC#N)CC12CN(C(=O)OC(C)(C)C)C2 ZINC000934053083 681501879 /nfs/dbraw/zinc/50/18/79/681501879.db2.gz VGPBCYFWKJGQMD-ZIAGYGMSSA-N 1 0 351.447 2.021 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1CCC[N@H+](CCOC2CCC2)CC1 ZINC000948785334 681597826 /nfs/dbraw/zinc/59/78/26/681597826.db2.gz GZUCJIBFRQVXOX-UHOSZYNNSA-N 1 0 350.503 2.460 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CCOC2(CC[NH+](C[C@@H](C)CC)CC2)C1 ZINC000949193847 681623258 /nfs/dbraw/zinc/62/32/58/681623258.db2.gz BZBJJXYTDVWLAJ-KSZLIROESA-N 1 0 350.503 2.317 20 30 FEEDRO C#CC[N@H+]1CCC[C@H]1COC(=O)C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000778633499 681632615 /nfs/dbraw/zinc/63/26/15/681632615.db2.gz FENTXBRMQHYHRI-CVEARBPZSA-N 1 0 350.459 2.274 20 30 FEEDRO C[NH+]=C(NCCN1CCOCC1)N[C@H]1C[C@H](c2ccc(Cl)cc2)C1 ZINC000849094582 681652545 /nfs/dbraw/zinc/65/25/45/681652545.db2.gz CGOXFCVIJQJXJO-JCNLHEQBSA-N 1 0 350.894 2.083 20 30 FEEDRO C[NH+]=C(NC[C@@H](CO)Cc1ccc(F)c(Br)c1)NC1CC1 ZINC000849109888 681655102 /nfs/dbraw/zinc/65/51/02/681655102.db2.gz KOULWUVZLSGLEP-NSHDSACASA-N 1 0 358.255 2.067 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)NC[C@@H]1CN(c2ccc(Cl)cc2)CCO1 ZINC000913007577 685468961 /nfs/dbraw/zinc/46/89/61/685468961.db2.gz VYOJBLIAZBMCDW-QGZVFWFLSA-N 1 0 351.878 2.169 20 30 FEEDRO FC(F)(F)CC[NH+]1CCC(N=Nc2ccc(-n3cccn3)nn2)CC1 ZINC000779771941 681752411 /nfs/dbraw/zinc/75/24/11/681752411.db2.gz DWVCFSOGQLHBMR-UHFFFAOYSA-N 1 0 353.352 2.478 20 30 FEEDRO C=CCNc1ncc(C(=O)Nc2cc(N3CC[NH+](C)CC3)ccn2)s1 ZINC000913664473 685481691 /nfs/dbraw/zinc/48/16/91/685481691.db2.gz IQBYNMBGRNJRHF-UHFFFAOYSA-N 1 0 358.471 2.140 20 30 FEEDRO C[NH+](C)CC#CCNC(=O)c1cnn(-c2ncccc2Cl)c1C(F)F ZINC000913518629 685479254 /nfs/dbraw/zinc/47/92/54/685479254.db2.gz VQPFLMVQHCFZEP-UHFFFAOYSA-N 1 0 367.787 2.153 20 30 FEEDRO C[N@@H+]1CCC[C@](O)(CC(=O)N[C@@H](c2cccc(C#N)c2)C(F)(F)F)C1 ZINC000913782040 685485107 /nfs/dbraw/zinc/48/51/07/685485107.db2.gz IRNTUYGWPKBPEN-HOTGVXAUSA-N 1 0 355.360 2.125 20 30 FEEDRO N#Cc1ccc([C@H](O)C(=O)NCC2([NH+]3CCSCC3)CCCC2)cc1 ZINC000780887485 681883796 /nfs/dbraw/zinc/88/37/96/681883796.db2.gz GZRISLGAASBBKC-KRWDZBQOSA-N 1 0 359.495 2.069 20 30 FEEDRO N#Cc1ccc(N2CCC([NH2+]CC[S@@](=O)CC(F)(F)F)CC2)cc1 ZINC000850349837 681889786 /nfs/dbraw/zinc/88/97/86/681889786.db2.gz LDNCCXKWIUQPDH-XMMPIXPASA-N 1 0 359.417 2.428 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC2(CC1)CC[NH+]([C@H](C)COC)CC2 ZINC000957608042 681910176 /nfs/dbraw/zinc/91/01/76/681910176.db2.gz BLOFTTHYNBMWCT-KURKYZTESA-N 1 0 350.503 2.317 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC2(CC1)CC[NH+](C[C@@H](C)OC)CC2 ZINC000957608405 681910210 /nfs/dbraw/zinc/91/02/10/681910210.db2.gz KQHMHAUBHDZHCN-KURKYZTESA-N 1 0 350.503 2.317 20 30 FEEDRO C=C(Cl)C(C)(C)C(=O)N1C[C@@H](C)[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC000940297599 682047346 /nfs/dbraw/zinc/04/73/46/682047346.db2.gz KGXLWNUIVZSIET-GZBFAFLISA-N 1 0 355.910 2.070 20 30 FEEDRO Fc1ccc(-n2cc(C=NNCC[NH+]3CCCCC3)nn2)cc1Cl ZINC000782901580 682092836 /nfs/dbraw/zinc/09/28/36/682092836.db2.gz KSOCCUOFRAYJDK-UHFFFAOYSA-N 1 0 350.829 2.469 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3c(C)nsc3C)C[C@H]21 ZINC000962018439 682106890 /nfs/dbraw/zinc/10/68/90/682106890.db2.gz PYGBYZWAWMLRJQ-MWTISTBLSA-N 1 0 361.511 2.288 20 30 FEEDRO C[NH+](C)CCOc1ccc(C=NNc2ccc(S(C)(=O)=O)cc2)cc1 ZINC000915960768 685519921 /nfs/dbraw/zinc/51/99/21/685519921.db2.gz RCNLXCLOGDXIDK-UHFFFAOYSA-N 1 0 361.467 2.477 20 30 FEEDRO Cc1nn(-c2cc[nH+]cc2)cc1C=NNS(=O)(=O)Cc1ccccc1 ZINC000783834285 682180485 /nfs/dbraw/zinc/18/04/85/682180485.db2.gz TZIBPBVHJHERDB-UHFFFAOYSA-N 1 0 355.423 2.029 20 30 FEEDRO N#Cc1cc(CS(=O)(=O)NCC2CC[NH+](CC3CC3)CC2)cs1 ZINC000917753302 685534431 /nfs/dbraw/zinc/53/44/31/685534431.db2.gz DSQUDTLVYRBVAA-UHFFFAOYSA-N 1 0 353.513 2.161 20 30 FEEDRO CC[C@@H]1[C@@H](C(=O)N[C@H](C)C2CN(Cc3ccc(C#N)s3)C2)CC[N@@H+]1C ZINC000969691827 682272740 /nfs/dbraw/zinc/27/27/40/682272740.db2.gz XXRDUHDLMUDGBU-JEBQAFNWSA-N 1 0 360.527 2.287 20 30 FEEDRO CCCCCCCCCS(=O)(=O)N1CC(CN2CC[NH+](C)CC2)C1 ZINC000917889639 685535472 /nfs/dbraw/zinc/53/54/72/685535472.db2.gz GXIUSYZLQGWQRT-UHFFFAOYSA-N 1 0 359.580 2.246 20 30 FEEDRO COC(=O)c1ccc(NC(=O)C#CC2CC[NH2+]CC2)c(OC(F)F)c1 ZINC000852839192 682348928 /nfs/dbraw/zinc/34/89/28/682348928.db2.gz ZHWKBVIGJLNEIR-UHFFFAOYSA-N 1 0 352.337 2.016 20 30 FEEDRO O=C(C#CC1CC[NH2+]CC1)N1CCO[C@H](c2c(F)cccc2Cl)C1 ZINC000852894606 682354497 /nfs/dbraw/zinc/35/44/97/682354497.db2.gz RWYNGNJZWBSFTK-INIZCTEOSA-N 1 0 350.821 2.382 20 30 FEEDRO C#CC[N@H+]1CCC[C@@H]1COC(=O)[C@H]1CCN(C(=O)OC(C)(C)C)[C@H]1C ZINC000786457361 682375831 /nfs/dbraw/zinc/37/58/31/682375831.db2.gz OHUNPFWBAHDWTN-XHSDSOJGSA-N 1 0 350.459 2.273 20 30 FEEDRO C[N@H+](Cc1ccc(C#N)s1)[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC000971973589 682384287 /nfs/dbraw/zinc/38/42/87/682384287.db2.gz CAUQKUHXNDDHIO-XTENKEOPSA-N 1 0 357.479 2.076 20 30 FEEDRO C=CCn1nnn(CN2CC[C@H]([N@H+](C)CCc3ccccc3)C2)c1=S ZINC000853559766 682433947 /nfs/dbraw/zinc/43/39/47/682433947.db2.gz IPQRPLBLHKIKEM-KRWDZBQOSA-N 1 0 358.515 2.201 20 30 FEEDRO COCC(C)(C)[NH+]1CCN(c2cc(Br)cnc2C#N)CC1 ZINC000853700625 682457901 /nfs/dbraw/zinc/45/79/01/682457901.db2.gz QJJPYOYFQCNHJN-UHFFFAOYSA-N 1 0 353.264 2.263 20 30 FEEDRO CCOC(=O)c1ccc(S(=O)(=O)NN=C2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000788435383 682529961 /nfs/dbraw/zinc/52/99/61/682529961.db2.gz QTZPNORGTKVKBP-HNNXBMFYSA-N 1 0 367.471 2.002 20 30 FEEDRO COC(=O)CC[NH+]1CCC(=NNC(=S)Nc2cc(C)ccc2F)CC1 ZINC000788712998 682553214 /nfs/dbraw/zinc/55/32/14/682553214.db2.gz OXPFUILKRYYAMS-UHFFFAOYSA-N 1 0 366.462 2.435 20 30 FEEDRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C ZINC000854650259 682575118 /nfs/dbraw/zinc/57/51/18/682575118.db2.gz AWEWTWDNXLDXAY-QLFBSQMISA-N 1 0 352.479 2.125 20 30 FEEDRO O=C(C#Cc1ccc(C(F)(F)F)cc1)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000790797094 682702543 /nfs/dbraw/zinc/70/25/43/682702543.db2.gz ZXNXZYNNNZOORR-MRXNPFEDSA-N 1 0 354.372 2.020 20 30 FEEDRO C=CCn1c(CC[NH+]2CCCCC2)nn(CN2CCO[C@H]3C[C@H]32)c1=S ZINC000793609288 682899559 /nfs/dbraw/zinc/89/95/59/682899559.db2.gz CJBYQVDCGUISAM-CVEARBPZSA-N 1 0 363.531 2.059 20 30 FEEDRO C[C@@H]([NH2+][C@@H]1CCCC[C@H]1NS(C)(=O)=O)c1ccc(OCC#N)cc1 ZINC000858498074 682973289 /nfs/dbraw/zinc/97/32/89/682973289.db2.gz LKEICVZXVSTRHC-KBRIMQKVSA-N 1 0 351.472 2.100 20 30 FEEDRO C#CC[NH+]1CCC(c2nc(-c3csc(-c4ccn(C)n4)n3)no2)CC1 ZINC000858858311 683008185 /nfs/dbraw/zinc/00/81/85/683008185.db2.gz DPNYXGMIHOIYQS-UHFFFAOYSA-N 1 0 354.439 2.406 20 30 FEEDRO C#CCCN1CCN(C(=O)[C@H]2CCCN2Cc2ccc(Cl)cc2)CC1 ZINC000859004003 683024802 /nfs/dbraw/zinc/02/48/02/683024802.db2.gz ZQBZECLOZCYDCP-LJQANCHMSA-N 1 0 359.901 2.472 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)[C@H](O)c1cccc(C(F)(F)F)c1 ZINC000795576390 683069228 /nfs/dbraw/zinc/06/92/28/683069228.db2.gz YWNSLFCCVVSWNV-OAHLLOKOSA-N 1 0 357.376 2.433 20 30 FEEDRO C[C@@H](C#N)OCC[NH2+][C@@]1(CO)CCc2cc(Br)ccc2C1 ZINC000859574791 683130668 /nfs/dbraw/zinc/13/06/68/683130668.db2.gz RJHQTGPGAAHYET-LRDDRELGSA-N 1 0 353.260 2.187 20 30 FEEDRO C=CC[C@H](CO)C[NH2+][C@@H](C1CC1)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000796855987 683201548 /nfs/dbraw/zinc/20/15/48/683201548.db2.gz SSIKMNKLGIFOOA-XIRDDKMYSA-N 1 0 354.491 2.175 20 30 FEEDRO C#CC[N@H+]1CCC[C@@H]1COC(=O)[C@H]1CCCn2cc(C(F)(F)F)nc21 ZINC000860529682 683256650 /nfs/dbraw/zinc/25/66/50/683256650.db2.gz KEFKOAPDDUMOQY-OLZOCXBDSA-N 1 0 355.360 2.420 20 30 FEEDRO N#Cc1c(NC[C@@H]2CCC[N@@H+]2C2CCCCC2)cccc1S(N)(=O)=O ZINC000797840047 683279790 /nfs/dbraw/zinc/27/97/90/683279790.db2.gz FIMZISMFJYUNOX-HNNXBMFYSA-N 1 0 362.499 2.415 20 30 FEEDRO CO[C@H]1C[N@H+](C)[C@](C)(COC(=O)c2cnc(C(F)(F)F)c(C#N)c2)C1 ZINC000861354451 683396174 /nfs/dbraw/zinc/39/61/74/683396174.db2.gz VRDNVYBCULYDKB-DOMZBBRYSA-N 1 0 357.332 2.238 20 30 FEEDRO C=CCCC[C@@H](NC(=O)C1CC[NH+]([C@H]2CCSC2)CC1)C(=O)OC ZINC000928318831 683434605 /nfs/dbraw/zinc/43/46/05/683434605.db2.gz FMGPCQWOKBVXNU-JKSUJKDBSA-N 1 0 354.516 2.218 20 30 FEEDRO C[NH+](C)CC[C@@H](NS(=O)(=O)c1ccc(F)c(C#N)c1)c1cccnc1 ZINC000921481790 683481798 /nfs/dbraw/zinc/48/17/98/683481798.db2.gz TYZYDPTVSLYNDR-QGZVFWFLSA-N 1 0 362.430 2.064 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)CSc2ccc(C(F)(F)F)cn2)CC1 ZINC000928658410 683483053 /nfs/dbraw/zinc/48/30/53/683483053.db2.gz JVRYEDAKSSHEBH-UHFFFAOYSA-N 1 0 357.401 2.406 20 30 FEEDRO CC1([NH+]2CCC2)CCC(NS(=O)(=O)c2ccc(F)cc2C#N)CC1 ZINC000921722883 683557396 /nfs/dbraw/zinc/55/73/96/683557396.db2.gz XQCYRPGAQQKYOP-UHFFFAOYSA-N 1 0 351.447 2.383 20 30 FEEDRO Cc1cccc(C[NH2+]CCNC(=O)C2N=CC=CC2=O)c1Br ZINC000921741466 683562633 /nfs/dbraw/zinc/56/26/33/683562633.db2.gz ICRRELXPMRLNTJ-NXVVXOECSA-N 1 0 364.243 2.374 20 30 FEEDRO N#Cc1ccc(C[N@@H+]2C[C@@H]3[C@@H](C2)[C@@H]2CC[C@H]3CN2C(=O)C(F)(F)F)o1 ZINC000862537548 683598776 /nfs/dbraw/zinc/59/87/76/683598776.db2.gz CLHCQJCRVCLVME-HPEDKQMDSA-N 1 0 353.344 2.382 20 30 FEEDRO C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cc(OC)ccc1Cl ZINC000922023616 683639055 /nfs/dbraw/zinc/63/90/55/683639055.db2.gz JQXAOSARKZDIFL-UHFFFAOYSA-N 1 0 356.875 2.067 20 30 FEEDRO CN(C)c1nccc(N2C[C@@H](F)C[C@H]2C[NH2+]Cc2csc(C#N)c2)n1 ZINC000922034381 683643314 /nfs/dbraw/zinc/64/33/14/683643314.db2.gz UVOTYNJLBJDRCS-KBPBESRZSA-N 1 0 360.462 2.182 20 30 FEEDRO CN(CC[NH2+]Cc1csc(C#N)c1)S(=O)(=O)c1ccc(F)cc1 ZINC000922089883 683656327 /nfs/dbraw/zinc/65/63/27/683656327.db2.gz LDTHBOICJFBIRT-UHFFFAOYSA-N 1 0 353.444 2.169 20 30 FEEDRO CCN(CC)S(=O)(=O)c1ccc(N=NC2CC[N@H+](C)C(C)(C)C2)nc1 ZINC000863071743 683675635 /nfs/dbraw/zinc/67/56/35/683675635.db2.gz YDVVZWZBZZXOHN-UHFFFAOYSA-N 1 0 367.519 2.384 20 30 FEEDRO N#CCOc1cc(F)ccc1NC(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000930385491 683722939 /nfs/dbraw/zinc/72/29/39/683722939.db2.gz CJKGSTMNKGUIPI-HIFRSBDPSA-N 1 0 364.446 2.429 20 30 FEEDRO C#CC[C@@H](COC)[NH2+]CCC(=O)Nc1cc(OC)c(Cl)cc1OC ZINC000863589621 683746907 /nfs/dbraw/zinc/74/69/07/683746907.db2.gz SNEISIIOENXBQX-LBPRGKRZSA-N 1 0 354.834 2.314 20 30 FEEDRO C#CC[C@H](COC)NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC000863804860 683775101 /nfs/dbraw/zinc/77/51/01/683775101.db2.gz KJJVTIMSIXJXBU-IAGOWNOFSA-N 1 0 350.409 2.298 20 30 FEEDRO C#CCN(C(=O)NC[C@H]1CSc2ccccc2O1)C1CC[NH+](C)CC1 ZINC000923017421 683820118 /nfs/dbraw/zinc/82/01/18/683820118.db2.gz AQTQNFMPLFRIHL-INIZCTEOSA-N 1 0 359.495 2.279 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)NCC[C@@H]2CSc3ccccc3O2)CC1 ZINC000923027055 683822692 /nfs/dbraw/zinc/82/26/92/683822692.db2.gz XBMSBCGECWFOAS-MRXNPFEDSA-N 1 0 359.495 2.327 20 30 FEEDRO C=C(Cl)C[C@@H]1NC(=O)N([C@H]2CC[N@@H+](CCCOCC)C[C@H]2C)C1=O ZINC000865304425 683965108 /nfs/dbraw/zinc/96/51/08/683965108.db2.gz VBKZHLNBWMMJGK-SNPRPXQTSA-N 1 0 357.882 2.186 20 30 FEEDRO C=C(Cl)C[C@@H]1NC(=O)N(CC2CC[NH+](Cc3ccncc3)CC2)C1=O ZINC000865312068 683966854 /nfs/dbraw/zinc/96/68/54/683966854.db2.gz NVLVAWXGXKUSOL-INIZCTEOSA-N 1 0 362.861 2.357 20 30 FEEDRO C[N@@H+]1CCC[C@@H](N2CCN(c3cc(C(F)(F)F)cc(C#N)n3)CC2)C1 ZINC000865542459 683995416 /nfs/dbraw/zinc/99/54/16/683995416.db2.gz QDGWTFZLFHEUMX-OAHLLOKOSA-N 1 0 353.392 2.188 20 30 FEEDRO N#Cc1cc(F)cc(S(=O)(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)c1 ZINC000866751046 684145162 /nfs/dbraw/zinc/14/51/62/684145162.db2.gz TUWJRJXSDMDDAU-INIZCTEOSA-N 1 0 351.447 2.336 20 30 FEEDRO N#Cc1cc(F)cc(S(=O)(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000866751048 684145265 /nfs/dbraw/zinc/14/52/65/684145265.db2.gz TUWJRJXSDMDDAU-MRXNPFEDSA-N 1 0 351.447 2.336 20 30 FEEDRO C[NH+]1CCC(OCC(=O)N[C@H](C#N)c2cccc(Br)c2)CC1 ZINC000931300401 684257957 /nfs/dbraw/zinc/25/79/57/684257957.db2.gz VYKTWDOKHASRBD-OAHLLOKOSA-N 1 0 366.259 2.241 20 30 FEEDRO CN1CC[NH+](CC2(C)CCN(C(=O)c3sccc3CC#N)CC2)CC1 ZINC000867386710 684265860 /nfs/dbraw/zinc/26/58/60/684265860.db2.gz MIMSUCCVDRWGIW-UHFFFAOYSA-N 1 0 360.527 2.304 20 30 FEEDRO C#CCN1CCC[C@@H](NC(=O)CSCc2cn3cc(C)ccc3n2)C1 ZINC000923590121 684309914 /nfs/dbraw/zinc/30/99/14/684309914.db2.gz QROJCADCJDCLBB-MRXNPFEDSA-N 1 0 356.495 2.090 20 30 FEEDRO C[NH+](C)C[C@@H]1NC(=O)N(Cc2cccc(-c3ccc(C#N)s3)c2)C1=O ZINC000924689535 684480508 /nfs/dbraw/zinc/48/05/08/684480508.db2.gz YOCPSUZVNVFGCT-HNNXBMFYSA-N 1 0 354.435 2.269 20 30 FEEDRO COC(=O)CS(=O)(=O)Cc1ccc(C[NH2+][C@H](C)CC(C)(C)C#N)cc1 ZINC000925538526 684568146 /nfs/dbraw/zinc/56/81/46/684568146.db2.gz SIAALJYAIWGVAA-CQSZACIVSA-N 1 0 366.483 2.192 20 30 FEEDRO C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000869190869 684591795 /nfs/dbraw/zinc/59/17/95/684591795.db2.gz VXCBPOUASORXSI-HZSPNIEDSA-N 1 0 359.898 2.479 20 30 FEEDRO Cn1cc(CON=C(N)c2ccc(C[NH+](C)C)cc2)c(Br)n1 ZINC000871735064 684850042 /nfs/dbraw/zinc/85/00/42/684850042.db2.gz MHAJHPIMSXRQQN-UHFFFAOYSA-N 1 0 366.263 2.081 20 30 FEEDRO N#Cc1ccc([C@@H](O)C[NH2+]Cc2ccnc(N3CCSCC3)c2)cc1 ZINC000872223659 684929047 /nfs/dbraw/zinc/92/90/47/684929047.db2.gz VLUGIUHCKHCETP-SFHVURJKSA-N 1 0 354.479 2.330 20 30 FEEDRO CS[C@H]1CN(S(=O)(=O)c2ccc(C)cc2C#N)C[C@H]1[NH+]1CCCC1 ZINC000872477379 684960180 /nfs/dbraw/zinc/96/01/80/684960180.db2.gz HWYNJPOYLBHLQC-CVEARBPZSA-N 1 0 365.524 2.067 20 30 FEEDRO C#CC[C@H](COC)NC(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1 ZINC000875920952 686104166 /nfs/dbraw/zinc/10/41/66/686104166.db2.gz CPTJSZKURGRJSO-OAHLLOKOSA-N 1 0 353.413 2.076 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H](C)c1ccc2c(c1)O[C@@H](CC)C(=O)N2 ZINC000876686095 686243681 /nfs/dbraw/zinc/24/36/81/686243681.db2.gz PCETZIQWPCLGMM-OSMZGAPFSA-N 1 0 351.834 2.443 20 30 FEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000876713618 686251246 /nfs/dbraw/zinc/25/12/46/686251246.db2.gz LPEDCHMHLKHZAO-CQSZACIVSA-N 1 0 351.882 2.027 20 30 FEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1 ZINC000876728071 686254430 /nfs/dbraw/zinc/25/44/30/686254430.db2.gz XIZBQSGFOXICQL-ZIAGYGMSSA-N 1 0 350.850 2.037 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000876749341 686260262 /nfs/dbraw/zinc/26/02/62/686260262.db2.gz JJCDUWUHVYLKHE-BBRMVZONSA-N 1 0 364.877 2.200 20 30 FEEDRO C=C(Cl)C[C@H](NC(=O)Cc1cccc2c1CC[NH2+]C2)C(=O)OCC ZINC000877144057 686332413 /nfs/dbraw/zinc/33/24/13/686332413.db2.gz FRSRUYUQEKDRQY-INIZCTEOSA-N 1 0 350.846 2.065 20 30 FEEDRO C[C@@H]1C[N@H+](C[C@H](O)CC2(C#N)CCOCC2)CC[C@@H](C(F)(F)F)O1 ZINC000880065219 686992104 /nfs/dbraw/zinc/99/21/04/686992104.db2.gz RZLGYXDDEPJABV-MCIONIFRSA-N 1 0 350.381 2.099 20 30 FEEDRO C[C@H]1CN(C(=O)Nc2cc(C#N)c(F)cc2F)CC[N@@H+]1CC(C)(C)O ZINC000880713372 687077832 /nfs/dbraw/zinc/07/78/32/687077832.db2.gz MRQLAXRHYTWRIN-NSHDSACASA-N 1 0 352.385 2.145 20 30 FEEDRO C#CCSCCNC(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000881136931 687112462 /nfs/dbraw/zinc/11/24/62/687112462.db2.gz KGSBVHUIXNVESE-SFHVURJKSA-N 1 0 358.511 2.459 20 30 FEEDRO C=C(C)C[C@@H](NC(=O)C1CC[NH+]([C@H]2CCSC2)CC1)C(=O)OCC ZINC000881756580 687206063 /nfs/dbraw/zinc/20/60/63/687206063.db2.gz YAENCKAMXZCJNQ-JKSUJKDBSA-N 1 0 354.516 2.218 20 30 FEEDRO C=CCCc1ccc(S(=O)(=O)NCCCCN2CC[NH+](C)CC2)cc1 ZINC000881786621 687215698 /nfs/dbraw/zinc/21/56/98/687215698.db2.gz YMTNZTMQDPKVBM-UHFFFAOYSA-N 1 0 365.543 2.111 20 30 FEEDRO C#CCC[NH+]1CCN(c2ccc(Br)c(C(=O)OCC)n2)CC1 ZINC000881857770 687236046 /nfs/dbraw/zinc/23/60/46/687236046.db2.gz BZKTXFQCCQQACZ-UHFFFAOYSA-N 1 0 366.259 2.166 20 30 FEEDRO N#Cc1cc(N2CCC[C@@H]([NH2+]C3CCOCC3)C2)ncc1Br ZINC000882727581 687458247 /nfs/dbraw/zinc/45/82/47/687458247.db2.gz ZYIKEFVOCKWAIU-CQSZACIVSA-N 1 0 365.275 2.453 20 30 FEEDRO Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CCC(C)([NH+]2CCC2)CC1 ZINC000882767190 687478957 /nfs/dbraw/zinc/47/89/57/687478957.db2.gz FUJFUAXVDASNRT-UHFFFAOYSA-N 1 0 351.447 2.255 20 30 FEEDRO CC[N@@H+]1CCN(C(=O)Nc2ccc(Br)c(C#N)n2)C[C@@H]1C ZINC000883098917 687564033 /nfs/dbraw/zinc/56/40/33/687564033.db2.gz CWCKBDCODUYTTP-JTQLQIEISA-N 1 0 352.236 2.274 20 30 FEEDRO C#CC[C@@H](CO)[NH2+]Cc1cc(Br)ccc1OCCOCC ZINC000883123655 687572259 /nfs/dbraw/zinc/57/22/59/687572259.db2.gz GJEKZEKMXZXAOM-HNNXBMFYSA-N 1 0 356.260 2.338 20 30 FEEDRO N#Cc1cc(S(=O)(=O)N2CC[NH2+]CCC23CCC3)ccc1C(F)(F)F ZINC000883478912 687643509 /nfs/dbraw/zinc/64/35/09/687643509.db2.gz FKVDUWXPGZHPPV-UHFFFAOYSA-N 1 0 373.400 2.484 20 30 FEEDRO N#C[C@@H]1C[NH2+]CC12CC(C(=O)NCc1ccccc1OC(F)(F)F)C2 ZINC000884062774 687782538 /nfs/dbraw/zinc/78/25/38/687782538.db2.gz ANXCCNJCQSMVQL-MFOWVQHXSA-N 1 0 353.344 2.341 20 30 FEEDRO N#C[C@H]1C[NH2+]CC12CC(C(=O)NC[C@H](O)c1c(Cl)cccc1Cl)C2 ZINC000884151062 687802344 /nfs/dbraw/zinc/80/23/44/687802344.db2.gz COCDRCNBSHNZIG-PGDFIKJTSA-N 1 0 368.264 2.282 20 30 FEEDRO N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000884951993 687972391 /nfs/dbraw/zinc/97/23/91/687972391.db2.gz KFDIFKUZMBDWAH-KBPBESRZSA-N 1 0 373.400 2.482 20 30 FEEDRO CCN(CCC#N)C(=O)C[N@H+](CC)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000886412530 688249128 /nfs/dbraw/zinc/24/91/28/688249128.db2.gz JYTRWVSSMVNNAL-HNNXBMFYSA-N 1 0 352.479 2.080 20 30 FEEDRO C#CC[N@@H+](C[C@@H](O)CCOCC)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000886426185 688253045 /nfs/dbraw/zinc/25/30/45/688253045.db2.gz MDVIRVKVHZHVET-KRWDZBQOSA-N 1 0 354.491 2.109 20 30 FEEDRO C#CCN(C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N)C1CC[NH+](C)CC1 ZINC000886571279 688277556 /nfs/dbraw/zinc/27/75/56/688277556.db2.gz PUDXCZHLKKBCON-UHFFFAOYSA-N 1 0 368.796 2.139 20 30 FEEDRO C=CCC1(O)CC[NH+]([C@H]2CN(C(=O)OC(C)(C)C)CC[C@]2(C)O)CC1 ZINC000886778607 688309504 /nfs/dbraw/zinc/30/95/04/688309504.db2.gz JNWGAJWXALOKPA-YJBOKZPZSA-N 1 0 354.491 2.150 20 30 FEEDRO N#Cc1ccc(Cl)c(NC(=O)C(=O)N2CCCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000887040105 688360717 /nfs/dbraw/zinc/36/07/17/688360717.db2.gz ZEAJLDDYHUCXMB-GOSISDBHSA-N 1 0 360.845 2.142 20 30 FEEDRO N#Cc1ccc(NC(=O)C(=O)N2CCCC[C@]3(CC[NH2+]C3)C2)cc1Cl ZINC000887037154 688360743 /nfs/dbraw/zinc/36/07/43/688360743.db2.gz WAFQXNNTSUIEIG-GOSISDBHSA-N 1 0 360.845 2.142 20 30 FEEDRO N#Cc1ccc(Cl)c(NC(=O)C(=O)N2CCCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000887040106 688360822 /nfs/dbraw/zinc/36/08/22/688360822.db2.gz ZEAJLDDYHUCXMB-SFHVURJKSA-N 1 0 360.845 2.142 20 30 FEEDRO CSc1ccc(CNC(=O)Nc2ccn(CC[NH+](C)C)n2)cc1C#N ZINC000887829136 688501228 /nfs/dbraw/zinc/50/12/28/688501228.db2.gz JETGJILONPAOKB-UHFFFAOYSA-N 1 0 358.471 2.360 20 30 FEEDRO CC[NH+]1CCN(CC(C)(C)NC(=O)Nc2nc(Cl)c(C#N)s2)CC1 ZINC000888422552 688609916 /nfs/dbraw/zinc/60/99/16/688609916.db2.gz OTBWTNYYUOVRDH-UHFFFAOYSA-N 1 0 370.910 2.206 20 30 FEEDRO C[C@@]1(C#N)CN(C(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)CCO1 ZINC000892512369 689206782 /nfs/dbraw/zinc/20/67/82/689206782.db2.gz RFUVKWQVDPWTNM-MAUKXSAKSA-N 1 0 362.499 2.284 20 30 FEEDRO C#C[C@H](NC(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2)c1ccc(Cl)cc1 ZINC000892761212 689239955 /nfs/dbraw/zinc/23/99/55/689239955.db2.gz YAYWQMXGBSEZOT-SJORKVTESA-N 1 0 361.873 2.472 20 30 FEEDRO C[N@@H+]1CCC[C@H](CNC(=O)N2CCO[C@](C)(C#N)C2)[C@@H]1c1cccs1 ZINC000893201065 689312779 /nfs/dbraw/zinc/31/27/79/689312779.db2.gz VOQHNPXLTITIGW-QGPMSJSTSA-N 1 0 362.499 2.455 20 30 FEEDRO COC(=O)[C@@H]1[C@@H](C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)C1(F)F ZINC000894004038 689447663 /nfs/dbraw/zinc/44/76/63/689447663.db2.gz WGZYGTFUMUEXKS-CVEARBPZSA-N 1 0 350.365 2.456 20 30 FEEDRO C=C(C)C[NH+]1CCC(NCc2cn(C)nc2I)CC1 ZINC000894228699 689490627 /nfs/dbraw/zinc/49/06/27/689490627.db2.gz HWDPFWQHOSAPQF-UHFFFAOYSA-N 1 0 374.270 2.155 20 30 FEEDRO C[NH+](C)C[C@]1(O)CCN(c2c(C#N)cnc3c(F)c(F)c(F)cc32)C1 ZINC000895009907 689639353 /nfs/dbraw/zinc/63/93/53/689639353.db2.gz HJDZUEHVRJFSHC-QGZVFWFLSA-N 1 0 350.344 2.027 20 30 FEEDRO C=C(C)C[C@@H](CO)[NH2+]Cc1cc(C2CN(C(=O)OC(C)(C)C)C2)no1 ZINC000895713025 689759776 /nfs/dbraw/zinc/75/97/76/689759776.db2.gz HZSLMYUAHIUHPX-AWEZNQCLSA-N 1 0 351.447 2.426 20 30 FEEDRO Cc1c2cc(C#N)ccc2sc1C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCN1C ZINC000896540834 689888903 /nfs/dbraw/zinc/88/89/03/689888903.db2.gz YUNJPHPNQNWHHI-CZUORRHYSA-N 1 0 356.495 2.446 20 30 FEEDRO C#CCSCC(=O)N1CC[C@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1 ZINC000899024605 690288868 /nfs/dbraw/zinc/28/88/68/690288868.db2.gz BLJQUSCJIHERKU-SFHVURJKSA-N 1 0 361.511 2.268 20 30 FEEDRO N#Cc1ccc(NC(=S)N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)cc1Cl ZINC000899663760 690401458 /nfs/dbraw/zinc/40/14/58/690401458.db2.gz GCOSOXJMTVHSSY-CVEARBPZSA-N 1 0 364.902 2.439 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)N1CCC(C(=O)NCCc2cccs2)CC1 ZINC000900420046 690514371 /nfs/dbraw/zinc/51/43/71/690514371.db2.gz YSVSUDVVSLRKKH-UHFFFAOYSA-N 1 0 363.527 2.153 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)NC[C@@H](c1cccc(Cl)c1)N1CCOCC1 ZINC000900516821 690526610 /nfs/dbraw/zinc/52/66/10/690526610.db2.gz WLRGFEKQIDODCY-SFHVURJKSA-N 1 0 365.905 2.337 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)N(C)Cc1cc2c(cc1OC(F)F)OCO2 ZINC000900821951 690569231 /nfs/dbraw/zinc/56/92/31/690569231.db2.gz OTDYUGFGQMCWDK-UHFFFAOYSA-N 1 0 356.369 2.483 20 30 FEEDRO C=CCNc1ncc(C(=O)NCCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)s1 ZINC000900979934 690595972 /nfs/dbraw/zinc/59/59/72/690595972.db2.gz FWPXJRAIRPEHOM-OKILXGFUSA-N 1 0 352.504 2.360 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)Nc1cccc(S(=O)(=O)N[C@@H](C)CC)c1 ZINC000901092664 690612169 /nfs/dbraw/zinc/61/21/69/690612169.db2.gz XYGFOEIMJAHLPY-AWEZNQCLSA-N 1 0 353.488 2.210 20 30 FEEDRO C=C1CCC(C(=O)N(CC[NH+](CC)CC)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000901211451 690625986 /nfs/dbraw/zinc/62/59/86/690625986.db2.gz CHRIGYLHCCUMDV-QGZVFWFLSA-N 1 0 356.532 2.090 20 30 FEEDRO N#Cc1cc(S(=O)(=O)NCCC[C@@H]2CCC[NH2+]2)ccc1Br ZINC000903498602 690901836 /nfs/dbraw/zinc/90/18/36/690901836.db2.gz BMJFOXVSJIRIHB-LBPRGKRZSA-N 1 0 372.288 2.131 20 30 FEEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N1C[C@@H]([NH3+])C(C)(C)C1 ZINC000903716318 690966455 /nfs/dbraw/zinc/96/64/55/690966455.db2.gz WDTROSZMRZLQLL-GFCCVEGCSA-N 1 0 355.891 2.112 20 30 FEEDRO N#CCc1ccc(OC[C@H](O)C[NH2+]C[C@H]2CC[C@H](C(F)(F)F)O2)cc1 ZINC000905518134 691130754 /nfs/dbraw/zinc/13/07/54/691130754.db2.gz WYVWVEYIPWUINC-FVQBIDKESA-N 1 0 358.360 2.192 20 30 FEEDRO N#CCc1ccc(OC[C@H](O)C[NH2+]C[C@H]2CC[C@@H](C(F)(F)F)O2)cc1 ZINC000905518133 691130824 /nfs/dbraw/zinc/13/08/24/691130824.db2.gz WYVWVEYIPWUINC-BMFZPTHFSA-N 1 0 358.360 2.192 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)N1CC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000907398105 691471469 /nfs/dbraw/zinc/47/14/69/691471469.db2.gz PQJSCJWNKDOHGD-IBGZPJMESA-N 1 0 351.491 2.354 20 30 FEEDRO N#CC1(CCCCOC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)CCC1 ZINC000909501844 691829663 /nfs/dbraw/zinc/82/96/63/691829663.db2.gz LCMQKNWSCJQPII-SJORKVTESA-N 1 0 350.459 2.274 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2sc([C@@H](C)OC)nc2C)c1C#N ZINC000535503795 694906293 /nfs/dbraw/zinc/90/62/93/694906293.db2.gz MKKQGGFTBOPYPA-SNVBAGLBSA-N 1 0 362.459 2.158 20 30 FEEDRO CCOC(=O)c1cc(C#N)c(Cl)nc1C(F)(F)N1CC[C@@H]2[NH2+]CC[C@@H]21 ZINC001164412225 718874941 /nfs/dbraw/zinc/87/49/41/718874941.db2.gz UMXJYNHBSUNWGV-RYUDHWBXSA-N 1 0 370.787 2.269 20 30 FEEDRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc(OC)c(C#N)cn1)C2 ZINC001164808539 720069968 /nfs/dbraw/zinc/06/99/68/720069968.db2.gz HYSYXBTXLBMQCX-XLIONFOSSA-N 1 0 356.470 2.147 20 30 FEEDRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncc3c(C#N)c[nH]c3n1)C2 ZINC001164817390 720148899 /nfs/dbraw/zinc/14/88/99/720148899.db2.gz PEENNPUCOXIHLD-UZLBHIALSA-N 1 0 366.469 2.014 20 30 FEEDRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncc3c(C#N)c[nH]c3n1)C2 ZINC001164817388 720149507 /nfs/dbraw/zinc/14/95/07/720149507.db2.gz PEENNPUCOXIHLD-OXQOHEQNSA-N 1 0 366.469 2.014 20 30 FEEDRO Cc1nc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)c(Cl)cc1C#N ZINC001164743549 720803435 /nfs/dbraw/zinc/80/34/35/720803435.db2.gz GUAWFLZFJPTIGE-HUUCEWRRSA-N 1 0 370.844 2.047 20 30 FEEDRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc(Cl)cc(C)c3C#N)CC[C@@H]2C1 ZINC001164853262 720835482 /nfs/dbraw/zinc/83/54/82/720835482.db2.gz NRBICQFHCSVNLF-GDBMZVCRSA-N 1 0 364.877 2.089 20 30 FEEDRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ncnc5ccc(C#N)cc54)C[C@H]3C2)cn1 ZINC001164761051 721091298 /nfs/dbraw/zinc/09/12/98/721091298.db2.gz ALNHMURJKAABKW-QZTJIDSGSA-N 1 0 373.464 2.193 20 30 FEEDRO Cc1nc(Cl)nc(N2C[C@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)c1C#N ZINC001164771360 721137534 /nfs/dbraw/zinc/13/75/34/721137534.db2.gz SGXOSKOJZPOGRO-HUUCEWRRSA-N 1 0 371.876 2.002 20 30 FEEDRO Cc1ccnc(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)c1C#N ZINC001164884475 721387842 /nfs/dbraw/zinc/38/78/42/721387842.db2.gz BEQTWEOWAPSUSM-NQIIRXRSSA-N 1 0 369.513 2.027 20 30 FEEDRO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2c1c(C#N)cnc2cnc(Cl)cc21 ZINC001164930453 721852641 /nfs/dbraw/zinc/85/26/41/721852641.db2.gz SATHLYRYTXCEAJ-IAGOWNOFSA-N 1 0 370.888 2.369 20 30 FEEDRO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2C(F)(F)c1ccc(Cl)nc1C#N ZINC001164928045 721858144 /nfs/dbraw/zinc/85/81/44/721858144.db2.gz MWCLNUFTOJIDTM-CABCVRRESA-N 1 0 369.847 2.366 20 30 FEEDRO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2C(F)(F)c1cc(Cl)nc(C#N)c1 ZINC001164928890 721862161 /nfs/dbraw/zinc/86/21/61/721862161.db2.gz OVOFAXOMCIZCIA-GJZGRUSLSA-N 1 0 369.847 2.366 20 30 FEEDRO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2c1nc(Cl)c(Cl)cc1C#N ZINC001164928661 721863565 /nfs/dbraw/zinc/86/35/65/721863565.db2.gz ZTSNAGLAAKFIDZ-KBPBESRZSA-N 1 0 354.285 2.475 20 30 FEEDRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2C(F)(F)c1cc(C#N)cc(Cl)n1 ZINC001164923660 721865989 /nfs/dbraw/zinc/86/59/89/721865989.db2.gz JULWBQULIBJHIB-UONOGXRCSA-N 1 0 369.847 2.366 20 30 FEEDRO CN(CC1CC[NH+](C)CC1)c1nccnc1[C@@H](C#N)C(=O)OC(C)(C)C ZINC001165045242 721938496 /nfs/dbraw/zinc/93/84/96/721938496.db2.gz WSTNOGAPHWUTDL-OAHLLOKOSA-N 1 0 359.474 2.203 20 30 FEEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1S[C@@H](C)C(=O)NC1CC1 ZINC000008251215 539481841 /nfs/dbraw/zinc/48/18/41/539481841.db2.gz YCWICRFFECHTAN-AWEZNQCLSA-N 1 0 363.531 2.252 20 30 FEEDRO COC(=O)c1ccc(OC[C@H](O)C[N@H+](C)Cc2cccc(C#N)c2)cc1 ZINC000026328310 539783502 /nfs/dbraw/zinc/78/35/02/539783502.db2.gz GNKXRKDINKCAFE-GOSISDBHSA-N 1 0 354.406 2.217 20 30 FEEDRO C=CCN1C(=O)c2ccc(C(=O)N[C@@H](C)C[NH+]3CCCCC3)cc2C1=O ZINC000027751184 539816463 /nfs/dbraw/zinc/81/64/63/539816463.db2.gz SYSJSLPOYFCLFG-AWEZNQCLSA-N 1 0 355.438 2.073 20 30 FEEDRO N#Cc1ccsc1NC(=O)CC[NH+]1CCC(C(=O)N2CCCC2)CC1 ZINC000029159451 539844579 /nfs/dbraw/zinc/84/45/79/539844579.db2.gz FGBRLRIMKWVXFK-UHFFFAOYSA-N 1 0 360.483 2.283 20 30 FEEDRO Cc1sc(NC(=O)C[NH2+][C@@H](C2CC2)[C@@]2(CO)CCCO2)c(C#N)c1C ZINC000550141623 674083187 /nfs/dbraw/zinc/08/31/87/674083187.db2.gz ZVPGUIHFCVUERJ-WMZOPIPTSA-N 1 0 363.483 2.085 20 30 FEEDRO CC(C)[C@@H](CNC(=O)C(=O)Nc1ccc(C#N)cc1)[NH+]1CCC(C)CC1 ZINC000041593356 540025869 /nfs/dbraw/zinc/02/58/69/540025869.db2.gz JUDSDCRJVCNTMX-GOSISDBHSA-N 1 0 356.470 2.369 20 30 FEEDRO C[C@@H](CNC(=O)C(=O)Nc1sccc1C#N)[N@H+](C)Cc1ccccc1 ZINC000550380107 674092195 /nfs/dbraw/zinc/09/21/95/674092195.db2.gz AJBQKGGBDWQRNL-ZDUSSCGKSA-N 1 0 356.451 2.195 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)C1CCN(C(=O)N(C)C)CC1)C(C)C ZINC000045910372 540233988 /nfs/dbraw/zinc/23/39/88/540233988.db2.gz ZLHDADRUCGVTAH-GOSISDBHSA-N 1 0 364.534 2.195 20 30 FEEDRO C[N@@H+](Cc1ccc2c(c1)OCCO2)C[C@H](O)COc1ccc(C#N)cc1 ZINC000046343129 540252744 /nfs/dbraw/zinc/25/27/44/540252744.db2.gz IVWSWGMBKKQTQK-KRWDZBQOSA-N 1 0 354.406 2.201 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)COc1ccc(C#N)cc1 ZINC000047010968 540284638 /nfs/dbraw/zinc/28/46/38/540284638.db2.gz YYDWIMUOECXUIE-UHFFFAOYSA-N 1 0 362.433 2.399 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)NCc2cccc(COCCOCC)c2)CC1 ZINC000050032513 540397303 /nfs/dbraw/zinc/39/73/03/540397303.db2.gz LUVBZHRVTZHQJA-UHFFFAOYSA-N 1 0 358.482 2.201 20 30 FEEDRO C=CCc1ccc(OC[C@@H](O)CN2CC[NH+](CC3CC3)CC2)c(OC)c1 ZINC000051426648 540433983 /nfs/dbraw/zinc/43/39/83/540433983.db2.gz ZEVDQQKVQBJYPG-IBGZPJMESA-N 1 0 360.498 2.191 20 30 FEEDRO CC[N@H+](C[C@H](O)COc1ccc(C#N)cc1)C[C@H]1COc2ccccc2O1 ZINC000053403221 540532209 /nfs/dbraw/zinc/53/22/09/540532209.db2.gz LKJZTZQOSHSQIQ-HKUYNNGSSA-N 1 0 368.433 2.460 20 30 FEEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000054878640 540615347 /nfs/dbraw/zinc/61/53/47/540615347.db2.gz GHVARXJEKBRGNZ-OAHLLOKOSA-N 1 0 372.469 2.132 20 30 FEEDRO C=CCN(CC=C)C(=O)CN1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000055171716 540633029 /nfs/dbraw/zinc/63/30/29/540633029.db2.gz XDOXLWACLHRRFN-UHFFFAOYSA-N 1 0 352.482 2.267 20 30 FEEDRO CC(C)[NH+]1CCC(NC(=O)N2CCCN(c3ncccc3C#N)CC2)CC1 ZINC000056551713 540733049 /nfs/dbraw/zinc/73/30/49/540733049.db2.gz WQZKWNAAVPKYJM-UHFFFAOYSA-N 1 0 370.501 2.048 20 30 FEEDRO C[C@@H]([NH2+]CC(=O)N[C@](C)(C#N)C1CC1)C1CCN(CC(F)(F)F)CC1 ZINC000550684003 674105534 /nfs/dbraw/zinc/10/55/34/674105534.db2.gz HKLDAKWMLZJTOS-MLGOLLRUSA-N 1 0 360.424 2.047 20 30 FEEDRO Cc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000057675378 540807106 /nfs/dbraw/zinc/80/71/06/540807106.db2.gz QPMRDQHFJNTAMW-SFHVURJKSA-N 1 0 364.449 2.094 20 30 FEEDRO COCC[NH+](CCOC)CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000057798336 540815993 /nfs/dbraw/zinc/81/59/93/540815993.db2.gz LFUYJRNQVFATDF-UHFFFAOYSA-N 1 0 365.499 2.422 20 30 FEEDRO N#Cc1cccc(C(=O)N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)c1 ZINC000058886555 540858888 /nfs/dbraw/zinc/85/88/88/540858888.db2.gz JYHQWWTWXWPOLX-UHFFFAOYSA-N 1 0 368.481 2.013 20 30 FEEDRO CC(C)(C)[NH2+]CCNC(=O)C(=O)Nc1scc(C(C)(C)C)c1C#N ZINC000550717331 674106750 /nfs/dbraw/zinc/10/67/50/674106750.db2.gz DLVJLXVQFKOCIV-UHFFFAOYSA-N 1 0 350.488 2.360 20 30 FEEDRO COCCNC(=[NH2+])NCC1(c2ccc(Br)cc2)CCOCC1 ZINC000066246673 541294283 /nfs/dbraw/zinc/29/42/83/541294283.db2.gz GZUKIGUWJIHWIT-UHFFFAOYSA-N 1 0 370.291 2.048 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)COc1ccccc1C=O ZINC000066310570 541299747 /nfs/dbraw/zinc/29/97/47/541299747.db2.gz QGOOUXINHNMXSO-UHFFFAOYSA-N 1 0 365.433 2.340 20 30 FEEDRO CCCC[N@H+](CCC(=O)Nc1ccc(C#N)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000066559150 541335177 /nfs/dbraw/zinc/33/51/77/541335177.db2.gz CWYLNXLNHYWEQT-KRWDZBQOSA-N 1 0 363.483 2.176 20 30 FEEDRO N#CCCN(C(=O)CCC(=O)N1CC[C@@H]([NH+]2CCCC2)C1)c1ccccc1 ZINC000066623690 541348997 /nfs/dbraw/zinc/34/89/97/541348997.db2.gz CFHQBIHBEURAOM-LJQANCHMSA-N 1 0 368.481 2.410 20 30 FEEDRO N#CCN1CCC(NC(=O)NC[C@H]2CCC[N@@H+]2CC2CCCCC2)CC1 ZINC000067480594 541470155 /nfs/dbraw/zinc/47/01/55/541470155.db2.gz AGWFXENUZMWAGN-LJQANCHMSA-N 1 0 361.534 2.318 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N2CCC[C@H](C(=O)NC3CCCCC3)C2)CC1 ZINC000068279868 541571961 /nfs/dbraw/zinc/57/19/61/541571961.db2.gz NZDGTQRMMONXEI-SFHVURJKSA-N 1 0 359.514 2.019 20 30 FEEDRO Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCC[N@@H+](C(C)C)CC1 ZINC000068781611 541627625 /nfs/dbraw/zinc/62/76/25/541627625.db2.gz FFAHZFPSPUBKGZ-UHFFFAOYSA-N 1 0 368.485 2.093 20 30 FEEDRO C[NH+](C)CC(C)(C)CNS(=O)(=O)c1cccc(Br)c1C#N ZINC000550826203 674113253 /nfs/dbraw/zinc/11/32/53/674113253.db2.gz FXJPFNMJMKCMBW-UHFFFAOYSA-N 1 0 374.304 2.187 20 30 FEEDRO N#Cc1cc([N+](=O)[O-])cnc1NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000070791486 541743955 /nfs/dbraw/zinc/74/39/55/541743955.db2.gz KGYSEGIPGGZUAR-UHFFFAOYSA-N 1 0 366.425 2.091 20 30 FEEDRO C=CC[C@@H]1N(C(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)CCCC1(C)C ZINC000550838872 674114014 /nfs/dbraw/zinc/11/40/14/674114014.db2.gz MDLZQBZBQQCGST-HNAYVOBHSA-N 1 0 367.559 2.133 20 30 FEEDRO Cc1nsc(N2CCC[N@H+](CCC(=O)Nc3ccccc3C#N)CC2)n1 ZINC000072801010 541868225 /nfs/dbraw/zinc/86/82/25/541868225.db2.gz XHQGGTMHGOCDHE-UHFFFAOYSA-N 1 0 370.482 2.259 20 30 FEEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(-c2cncnc2)cc1 ZINC000073411566 541950568 /nfs/dbraw/zinc/95/05/68/541950568.db2.gz UNZAIWIXNGAFAR-UONOGXRCSA-N 1 0 353.426 2.195 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1c(C)oc2ncn(C)c(=O)c21)C(C)C ZINC000073707074 541989250 /nfs/dbraw/zinc/98/92/50/541989250.db2.gz SCPPUQGGQAZAKE-OAHLLOKOSA-N 1 0 372.469 2.263 20 30 FEEDRO N#Cc1ccccc1-c1ccc(C[N@H+]2CCC[C@@H]2CS(N)(=O)=O)cc1 ZINC000074315949 542068793 /nfs/dbraw/zinc/06/87/93/542068793.db2.gz CYVBELMNEYQTNM-GOSISDBHSA-N 1 0 355.463 2.478 20 30 FEEDRO N#CCCN(CCC#N)C(=O)C[N@@H+](CCO)[C@H]1CCCc2ccccc21 ZINC000074312280 542067206 /nfs/dbraw/zinc/06/72/06/542067206.db2.gz WFSLWOVFTOWZDM-IBGZPJMESA-N 1 0 354.454 2.014 20 30 FEEDRO CC[N@@H+]1CCC[C@H]1CNC(=O)N1CCN(c2cccc(F)c2C#N)CC1 ZINC000074490366 542090183 /nfs/dbraw/zinc/09/01/83/542090183.db2.gz GMBPLWIOMVGCKD-HNNXBMFYSA-N 1 0 359.449 2.013 20 30 FEEDRO C[C@@H](c1ccccc1)N1C[C@H](C(=O)N(CCC#N)CCC[NH+](C)C)CC1=O ZINC000076023389 542225781 /nfs/dbraw/zinc/22/57/81/542225781.db2.gz IDSPTTBJTJHFPN-PKOBYXMFSA-N 1 0 370.497 2.290 20 30 FEEDRO C[NH+]1CCN(c2ccc(CNC(=O)Nc3ccc(CC#N)cc3)cn2)CC1 ZINC000076084716 542231260 /nfs/dbraw/zinc/23/12/60/542231260.db2.gz WAKZUASIGPVUJN-UHFFFAOYSA-N 1 0 364.453 2.221 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cccc(COCC3CC3)c2)CC1 ZINC000076526397 542289287 /nfs/dbraw/zinc/28/92/87/542289287.db2.gz SFPLNJWAXYRCRM-UHFFFAOYSA-N 1 0 371.481 2.318 20 30 FEEDRO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)Nc2cccc(OCCCC#N)c2)C1 ZINC000076667615 542309624 /nfs/dbraw/zinc/30/96/24/542309624.db2.gz DITUEHCBENJVRI-KRWDZBQOSA-N 1 0 372.469 2.250 20 30 FEEDRO N#Cc1ccccc1N1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000076983888 542338879 /nfs/dbraw/zinc/33/88/79/542338879.db2.gz JFYCQMDGJBPEMV-GOSISDBHSA-N 1 0 367.497 2.407 20 30 FEEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1CC(=O)N(CCC#N)CCC#N ZINC000077371592 542373624 /nfs/dbraw/zinc/37/36/24/542373624.db2.gz VQFCQJZFAIRIIL-LJQANCHMSA-N 1 0 367.497 2.239 20 30 FEEDRO C[C@](C#N)(NC(=O)CNc1ccccc1C[NH+]1CCC(CO)CC1)C1CC1 ZINC000078405012 542460228 /nfs/dbraw/zinc/46/02/28/542460228.db2.gz DJMRYVZHTWDBSK-OAQYLSRUSA-N 1 0 370.497 2.111 20 30 FEEDRO COCCC[N@@H+]1CCCN(Cc2nnc(-c3ccc(C#N)cc3)o2)CC1 ZINC000079447819 542519678 /nfs/dbraw/zinc/51/96/78/542519678.db2.gz NSZPRQCVLUKTAG-UHFFFAOYSA-N 1 0 355.442 2.152 20 30 FEEDRO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCC[C@H](C(=O)Nc2nccs2)C1 ZINC000079886197 542547274 /nfs/dbraw/zinc/54/72/74/542547274.db2.gz UDWUNLLXYAODSG-CABCVRRESA-N 1 0 362.499 2.383 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc3nc(C4CC4)oc3c2)CC1 ZINC000079890656 542547605 /nfs/dbraw/zinc/54/76/05/542547605.db2.gz RPJVQJFVEWZGOT-UHFFFAOYSA-N 1 0 368.437 2.410 20 30 FEEDRO N#CCOc1ccc(/C=C/C(=O)N2CC[NH+]([C@H]3CCSC3)CC2)cc1 ZINC000080431643 542588810 /nfs/dbraw/zinc/58/88/10/542588810.db2.gz YHHNPTUUGZFRJC-ZVVFDCPKSA-N 1 0 357.479 2.252 20 30 FEEDRO N#CCC[N@@H+](CCC(=O)N1CCN(c2ccc(F)cc2)CC1)CC1CC1 ZINC000081044690 542627496 /nfs/dbraw/zinc/62/74/96/542627496.db2.gz JDBUOWKGMCGTJZ-UHFFFAOYSA-N 1 0 358.461 2.490 20 30 FEEDRO C[C@@H]1CCC[C@@](C#N)(NC(=O)CC[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000081410576 542655726 /nfs/dbraw/zinc/65/57/26/542655726.db2.gz YNNADFBKPFAUIA-YLJYHZDGSA-N 1 0 355.486 2.182 20 30 FEEDRO CCN(C[C@H]1CC[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C1)CC(F)(F)F ZINC000081558635 542665341 /nfs/dbraw/zinc/66/53/41/542665341.db2.gz MSZDXOQEAIBIFW-ZBFHGGJFSA-N 1 0 362.440 2.247 20 30 FEEDRO CNC(=O)[C@H](C)C[N@H+](C)CC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000081525727 542663427 /nfs/dbraw/zinc/66/34/27/542663427.db2.gz DFKBFVHCEZDKNI-ZIAGYGMSSA-N 1 0 362.499 2.333 20 30 FEEDRO C[NH+]=C(NCc1cccc(-n2cncn2)c1)N[C@H]1CCOc2ccccc21 ZINC000087168014 542743201 /nfs/dbraw/zinc/74/32/01/542743201.db2.gz HATSPHIJZRMYMJ-SFHVURJKSA-N 1 0 362.437 2.456 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(NC(=O)C(C)C)cc2)c1C#N ZINC000089677381 542768201 /nfs/dbraw/zinc/76/82/01/542768201.db2.gz PTFAAPLCFDIDME-UHFFFAOYSA-N 1 0 368.441 2.280 20 30 FEEDRO C[C@H](NC(=O)Cc1cccc(OCC#N)c1)C1([NH+]2CCOCC2)CCCC1 ZINC000089834348 542771493 /nfs/dbraw/zinc/77/14/93/542771493.db2.gz HBPMYCMZMACKII-KRWDZBQOSA-N 1 0 371.481 2.281 20 30 FEEDRO CC(C)OCC[NH+]1CCC(NC(=O)Cc2cccc(OCC#N)c2)CC1 ZINC000089847054 542771741 /nfs/dbraw/zinc/77/17/41/542771741.db2.gz NBGUPXYHVLWQEM-UHFFFAOYSA-N 1 0 359.470 2.137 20 30 FEEDRO Cn1ccnc1[C@@H](O)C1CC[NH+](CCC(=O)Nc2ccccc2C#N)CC1 ZINC000089926004 542773451 /nfs/dbraw/zinc/77/34/51/542773451.db2.gz SIDQKKNRKVRDTM-IBGZPJMESA-N 1 0 367.453 2.066 20 30 FEEDRO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+](C)C[C@@H](C)c2ccccc2)CC1 ZINC000091554704 542812439 /nfs/dbraw/zinc/81/24/39/542812439.db2.gz NXGUWFMYAZWEDY-QUCCMNQESA-N 1 0 356.514 2.414 20 30 FEEDRO C[N@@H+]1CCC[C@@H](CNC(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)C1 ZINC000092239764 542851448 /nfs/dbraw/zinc/85/14/48/542851448.db2.gz QSWRJXSXWFGFTH-AOCRQIFASA-N 1 0 371.485 2.284 20 30 FEEDRO COc1ccc(C[N@@H+]2CCC[C@@H](N3CCNC3=O)C2)cc1OCCCC#N ZINC000092189162 542848165 /nfs/dbraw/zinc/84/81/65/542848165.db2.gz LDLFGKIFDLVHNY-QGZVFWFLSA-N 1 0 372.469 2.367 20 30 FEEDRO N#CC1(C(=O)N2CCC(C(=O)NCCC[NH+]3CCCCC3)CC2)CCCC1 ZINC000101694674 543041653 /nfs/dbraw/zinc/04/16/53/543041653.db2.gz OMYOWKCALPUIPB-UHFFFAOYSA-N 1 0 374.529 2.301 20 30 FEEDRO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000103466838 543108780 /nfs/dbraw/zinc/10/87/80/543108780.db2.gz PVEQTGGSAXFNTL-AWEZNQCLSA-N 1 0 370.482 2.366 20 30 FEEDRO COc1ccc(CNC(=[NH2+])NCc2ccc(N3CCCC3)nc2)cc1OC ZINC000104163464 543125606 /nfs/dbraw/zinc/12/56/06/543125606.db2.gz YEXGBTYHYXRBNX-UHFFFAOYSA-N 1 0 369.469 2.304 20 30 FEEDRO COc1ccc(CNC(=[NH2+])NCCc2ccc(NC(C)=O)cc2)cc1OC ZINC000104181455 543125708 /nfs/dbraw/zinc/12/57/08/543125708.db2.gz OLNWNJFMTGYWBJ-UHFFFAOYSA-N 1 0 370.453 2.309 20 30 FEEDRO C[N@H+](CCNC(=O)N1CCN(c2ccc(C#N)cc2F)CC1)C1CCCC1 ZINC000104806181 543146305 /nfs/dbraw/zinc/14/63/05/543146305.db2.gz WEZRIPLJBVMPRL-UHFFFAOYSA-N 1 0 373.476 2.403 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@@H](c2ccccc2)N2CCN(C)CC2)CC1 ZINC000106290644 543221798 /nfs/dbraw/zinc/22/17/98/543221798.db2.gz XWGSFFUCLVSZHT-OAQYLSRUSA-N 1 0 370.541 2.132 20 30 FEEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000106582293 543239512 /nfs/dbraw/zinc/23/95/12/543239512.db2.gz HBRVKXFYJMMIPT-OAHLLOKOSA-N 1 0 359.474 2.103 20 30 FEEDRO CC[NH+]1CCN([C@@H]2CCN(C(=O)Nc3ccc(C#N)c(Cl)c3)C2)CC1 ZINC000106938693 543257175 /nfs/dbraw/zinc/25/71/75/543257175.db2.gz FTJHQZKWSVZOFX-MRXNPFEDSA-N 1 0 361.877 2.455 20 30 FEEDRO N#CCCSc1ccccc1NC(=O)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000108605778 543297423 /nfs/dbraw/zinc/29/74/23/543297423.db2.gz VQMYGQJFVVTSLC-UHFFFAOYSA-N 1 0 372.494 2.374 20 30 FEEDRO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000108879482 543307291 /nfs/dbraw/zinc/30/72/91/543307291.db2.gz KVNWMXPIMNEGKG-HKUYNNGSSA-N 1 0 356.470 2.159 20 30 FEEDRO C[NH+]1CCC2(CC1)C[C@H](NC(=O)C1(C#N)CCOCC1)c1ccccc1O2 ZINC000109139796 543315471 /nfs/dbraw/zinc/31/54/71/543315471.db2.gz ZCJAZJIJYJJEDV-KRWDZBQOSA-N 1 0 369.465 2.411 20 30 FEEDRO Cc1cccc(CNC(=O)CO/[NH+]=C/c2ccc(N3CCOCC3)cc2)c1 ZINC000111175805 543383918 /nfs/dbraw/zinc/38/39/18/543383918.db2.gz OIACDIWNMCWNMG-HZHRSRAPSA-N 1 0 367.449 2.499 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Cn1cnc2ccccc2c1=O)C(C)C ZINC000112919827 543468835 /nfs/dbraw/zinc/46/88/35/543468835.db2.gz FXHZSQMVPNNUFM-IBGZPJMESA-N 1 0 368.481 2.211 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)Nc2ccc(C(N)=O)c(N3CCCCC3)c2)CC1 ZINC000113189929 543476246 /nfs/dbraw/zinc/47/62/46/543476246.db2.gz UIHQDYKVPZPDQJ-UHFFFAOYSA-N 1 0 368.481 2.060 20 30 FEEDRO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccc(C#N)cc1)c1ccc(F)cc1 ZINC000118092298 543644344 /nfs/dbraw/zinc/64/43/44/543644344.db2.gz NBEIHNLWMJBNKL-KRWDZBQOSA-N 1 0 354.385 2.055 20 30 FEEDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000118096637 543644701 /nfs/dbraw/zinc/64/47/01/543644701.db2.gz QQCMHMLALBQTOD-LSDHHAIUSA-N 1 0 374.510 2.477 20 30 FEEDRO COc1cc(C#N)ccc1OCC(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000121025803 543688216 /nfs/dbraw/zinc/68/82/16/543688216.db2.gz BMDWYLOEWSIABO-UHFFFAOYSA-N 1 0 353.422 2.324 20 30 FEEDRO C=CCOc1cccc(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](CC)C[C@H]2C)c1 ZINC000119715792 543671298 /nfs/dbraw/zinc/67/12/98/543671298.db2.gz OGNBQLOLHXHUDD-CRAIPNDOSA-N 1 0 359.470 2.379 20 30 FEEDRO CCOC(=O)CC1CC[NH+](C[C@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000120051339 543674671 /nfs/dbraw/zinc/67/46/71/543674671.db2.gz PAJVEGHITSCBPS-SFHVURJKSA-N 1 0 360.454 2.158 20 30 FEEDRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)CSCc1ccc(C#N)cc1 ZINC000122934926 543732438 /nfs/dbraw/zinc/73/24/38/543732438.db2.gz NTRJAWHBJYIENU-UHFFFAOYSA-N 1 0 374.554 2.276 20 30 FEEDRO Cc1ccc(Cl)cc1NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C ZINC000122090440 543703162 /nfs/dbraw/zinc/70/31/62/543703162.db2.gz NLHURDCYPXBKRJ-UHFFFAOYSA-N 1 0 350.850 2.281 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)OCC(=O)N[C@@H]2CCCc3ccccc32)CC1 ZINC000122543344 543708952 /nfs/dbraw/zinc/70/89/52/543708952.db2.gz KHQHFFIOFYDMHU-LJQANCHMSA-N 1 0 354.450 2.069 20 30 FEEDRO N#Cc1ccc2ncc(C[NH2+]CCCCN3C(=O)c4ccccc4C3=O)n2c1 ZINC000123720439 543779290 /nfs/dbraw/zinc/77/92/90/543779290.db2.gz GJRCTFDCWKDYLJ-UHFFFAOYSA-N 1 0 373.416 2.372 20 30 FEEDRO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+](C)CC(C)(C)CN1CCOCC1 ZINC000123911184 543790664 /nfs/dbraw/zinc/79/06/64/543790664.db2.gz VCCFPTWVVVJQQX-MRXNPFEDSA-N 1 0 358.486 2.175 20 30 FEEDRO CCC[N@@H+]1CC[C@H](CNC(=O)N2CCN(c3ccccc3C#N)CC2)C1 ZINC000123373085 543757278 /nfs/dbraw/zinc/75/72/78/543757278.db2.gz QOCALLAWSMFYCI-QGZVFWFLSA-N 1 0 355.486 2.122 20 30 FEEDRO CC[NH+]=C(NCc1c(C)noc1C)N1CCN([C@@H](C)C(F)(F)F)CC1 ZINC000124009131 543796173 /nfs/dbraw/zinc/79/61/73/543796173.db2.gz NDBFWCAOCFHIMP-ZDUSSCGKSA-N 1 0 361.412 2.325 20 30 FEEDRO N#Cc1ccc(-c2nnc(C[N@H+]3CCCC[C@H]3[C@H]3CNC(=O)C3)o2)cc1 ZINC000125653517 543894310 /nfs/dbraw/zinc/89/43/10/543894310.db2.gz WGNULGXPFSRYEZ-CVEARBPZSA-N 1 0 351.410 2.099 20 30 FEEDRO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N(C)CC(=O)NC(C)(C)C ZINC000127065268 543970725 /nfs/dbraw/zinc/97/07/25/543970725.db2.gz VDMIYDCRJIXRNY-XAUUPUKJSA-N 1 0 350.507 2.152 20 30 FEEDRO CC(C)[C@@](C)(C#N)NC(=O)CN1CCCN(C(=O)c2cccc(F)c2)CC1 ZINC000126712286 543952561 /nfs/dbraw/zinc/95/25/61/543952561.db2.gz MLBTVGZOJBNZFN-HXUWFJFHSA-N 1 0 374.460 2.028 20 30 FEEDRO CN1CC[NH+](CC2CCN(C(=O)c3ccc(C#N)c(Cl)c3)CC2)CC1 ZINC000126974952 543966480 /nfs/dbraw/zinc/96/64/80/543966480.db2.gz CFYYHIYMJGJQMZ-UHFFFAOYSA-N 1 0 360.889 2.311 20 30 FEEDRO COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000127455130 543993982 /nfs/dbraw/zinc/99/39/82/543993982.db2.gz ZKQGUDBRNQDICN-CRAIPNDOSA-N 1 0 356.470 2.341 20 30 FEEDRO CCOC(=O)C1CCN(C(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000127537685 543998711 /nfs/dbraw/zinc/99/87/11/543998711.db2.gz HSMYAYXWYAICLK-GJZGRUSLSA-N 1 0 357.454 2.399 20 30 FEEDRO CCOC(=O)C1CCN(C(=O)[C@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2)CC1 ZINC000127538199 543999452 /nfs/dbraw/zinc/99/94/52/543999452.db2.gz HSMYAYXWYAICLK-CABCVRRESA-N 1 0 357.454 2.399 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)Nc1scnc1CC)C(C)C ZINC000128107409 544032724 /nfs/dbraw/zinc/03/27/24/544032724.db2.gz CYUNRUYAPIIRLS-OAHLLOKOSA-N 1 0 364.515 2.459 20 30 FEEDRO COc1ccc(CN[C@H](c2nc(-c3nc[nH]n3)no2)C(C)C)cc1C#N ZINC000129132050 544092861 /nfs/dbraw/zinc/09/28/61/544092861.db2.gz BYSSNFMXTWDINZ-AWEZNQCLSA-N 1 0 353.386 2.222 20 30 FEEDRO Cc1nnc(-c2cccc(C#N)c2)n1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000129394338 544109961 /nfs/dbraw/zinc/10/99/61/544109961.db2.gz ZROFBGXUMOSRAY-UHFFFAOYSA-N 1 0 366.469 2.114 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCc3c2cccc3Cl)CC1 ZINC000129462814 544113776 /nfs/dbraw/zinc/11/37/76/544113776.db2.gz WMDMRUMUGXDWDQ-UHFFFAOYSA-N 1 0 361.873 2.386 20 30 FEEDRO Cn1cc(C[N@@H+]2CCCN(c3ncccc3C#N)CC2)c(-c2ccncc2)n1 ZINC000129693784 544123859 /nfs/dbraw/zinc/12/38/59/544123859.db2.gz PDHDXYGXVRVZDN-UHFFFAOYSA-N 1 0 373.464 2.461 20 30 FEEDRO Cc1cccc(N(CCC#N)C(=O)C[NH2+][C@H]2CCCC[C@@H]2C(N)=O)c1C ZINC000130699773 544161376 /nfs/dbraw/zinc/16/13/76/544161376.db2.gz UOPHOEYOGVJCGJ-IRXDYDNUSA-N 1 0 356.470 2.184 20 30 FEEDRO CCC(CC)(CCO)CNC1=[NH+]C[C@@H]2CN(C(=O)OC(C)(C)C)CCN12 ZINC000133992693 544290875 /nfs/dbraw/zinc/29/08/75/544290875.db2.gz UXUHZGYQCFWLCD-OAHLLOKOSA-N 1 0 368.522 2.056 20 30 FEEDRO C=C(C)COCCNC(=O)NCCC[N@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000134999636 544330574 /nfs/dbraw/zinc/33/05/74/544330574.db2.gz XMKBRHSELJKCOJ-HXUWFJFHSA-N 1 0 374.529 2.257 20 30 FEEDRO COc1ccc(OCC[N@H+](C)C[C@@H](O)COc2ccccc2C#N)cc1 ZINC000141583283 544413461 /nfs/dbraw/zinc/41/34/61/544413461.db2.gz KNUIYHNDONXKFT-QGZVFWFLSA-N 1 0 356.422 2.317 20 30 FEEDRO C=CCCCCC[N@@H+](C)[C@@H](C)C(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000150879146 544482137 /nfs/dbraw/zinc/48/21/37/544482137.db2.gz ACHMUXPLNUBVPY-AWEZNQCLSA-N 1 0 353.488 2.339 20 30 FEEDRO C=CCCCCC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000150894892 544483650 /nfs/dbraw/zinc/48/36/50/544483650.db2.gz URUYLWZZGQQJBC-AWEZNQCLSA-N 1 0 353.488 2.339 20 30 FEEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]C2CCN(S(=O)(=O)C3CC3)CC2)cc1 ZINC000151261946 544522903 /nfs/dbraw/zinc/52/29/03/544522903.db2.gz YXKFRWGDPKBSNV-AWEZNQCLSA-N 1 0 363.483 2.024 20 30 FEEDRO CCN(CC)C(=O)[C@H](c1ccccc1)[N@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000153310088 544759101 /nfs/dbraw/zinc/75/91/01/544759101.db2.gz VSKIVJTXJJYKNV-SFHVURJKSA-N 1 0 368.485 2.338 20 30 FEEDRO C[NH+](C)CCN(Cc1cccc(O)c1)C(=O)COc1ccc(C#N)cc1 ZINC000153441007 544775713 /nfs/dbraw/zinc/77/57/13/544775713.db2.gz AJQCAUSCIHLOIX-UHFFFAOYSA-N 1 0 353.422 2.233 20 30 FEEDRO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)C(C)(C)C#N)cc1OC ZINC000153632345 544800920 /nfs/dbraw/zinc/80/09/20/544800920.db2.gz OJHYYKIFTUKRAZ-UHFFFAOYSA-N 1 0 360.458 2.255 20 30 FEEDRO CNC(=O)CCC[N@H+](C)CC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000155012408 544977031 /nfs/dbraw/zinc/97/70/31/544977031.db2.gz TVSHRNISUHWUAC-AWEZNQCLSA-N 1 0 362.499 2.335 20 30 FEEDRO N#Cc1ccnc(N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)c1Cl ZINC000553082286 674237634 /nfs/dbraw/zinc/23/76/34/674237634.db2.gz YHXSJBYLGPTDTP-IAGOWNOFSA-N 1 0 356.857 2.902 20 30 FEEDRO C[N@@H+]1CCC[C@H](CNC(=O)C(=O)NCCCCC#N)[C@@H]1c1cccs1 ZINC000553271989 674249667 /nfs/dbraw/zinc/24/96/67/674249667.db2.gz LPIZZXIHQKYMIW-GDBMZVCRSA-N 1 0 362.499 2.057 20 30 FEEDRO CC(C)[C@H]([NH2+]CCOc1ccccc1C#N)c1nc(-c2nc[nH]n2)no1 ZINC000184869819 327886668 /nfs/dbraw/zinc/88/66/68/327886668.db2.gz DWYOPXNWRJUKHU-AWEZNQCLSA-N 1 0 353.386 2.092 20 30 FEEDRO CC(C)(CC[NH+]1CCCCCC1)NC(=O)CNC(=O)c1ccc(C#N)cc1 ZINC000185752654 327931465 /nfs/dbraw/zinc/93/14/65/327931465.db2.gz LPDJVGYBLNQTND-UHFFFAOYSA-N 1 0 370.497 2.449 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNS(=O)(=O)c1ccc(N(C)C)nc1)C(C)C ZINC000553856463 674289670 /nfs/dbraw/zinc/28/96/70/674289670.db2.gz TVKZGIGVEWNHLI-QGZVFWFLSA-N 1 0 366.531 2.125 20 30 FEEDRO CN(CC(=O)Nc1c(C#N)cnn1-c1ccccc1)CC1([NH+](C)C)CCC1 ZINC000186939153 327991617 /nfs/dbraw/zinc/99/16/17/327991617.db2.gz UMRNUNGQPSMHRS-UHFFFAOYSA-N 1 0 366.469 2.099 20 30 FEEDRO CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc(C#N)cs1 ZINC000188072007 328063918 /nfs/dbraw/zinc/06/39/18/328063918.db2.gz VEASYUXSJKCQJL-IBGZPJMESA-N 1 0 355.463 2.329 20 30 FEEDRO CCN(CCC[NH+]1CCCC1)S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000188260084 328076312 /nfs/dbraw/zinc/07/63/12/328076312.db2.gz TWTVYQZLKDDYLJ-UHFFFAOYSA-N 1 0 357.426 2.333 20 30 FEEDRO CCN(CCC[NH+]1CCCC1)S(=O)(=O)c1ccc(C#N)cc1OC ZINC000188258033 328076447 /nfs/dbraw/zinc/07/64/47/328076447.db2.gz ICFGRFLRMHACHB-UHFFFAOYSA-N 1 0 351.472 2.063 20 30 FEEDRO CCC[NH+]1CCC(N(C)C(=O)C(=O)Nc2cc(C#N)ccc2OCC)CC1 ZINC000189264858 328137899 /nfs/dbraw/zinc/13/78/99/328137899.db2.gz OREIMSNJMDTKNU-UHFFFAOYSA-N 1 0 372.469 2.228 20 30 FEEDRO C[C@@H](NC(=O)C(=O)Nc1cccc(C#N)c1)[C@H](c1ccccc1)[NH+](C)C ZINC000191248528 328256253 /nfs/dbraw/zinc/25/62/53/328256253.db2.gz IULGTXIBZVZMII-RDTXWAMCSA-N 1 0 350.422 2.304 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H]2CCO[C@H]2c2ccccc2)cc1 ZINC000191935420 328289529 /nfs/dbraw/zinc/28/95/29/328289529.db2.gz DBMFASHXFLWYNG-MOPGFXCFSA-N 1 0 356.447 2.452 20 30 FEEDRO Cc1ccc2ncc(C[NH2+][C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)n2c1 ZINC000192243497 328308831 /nfs/dbraw/zinc/30/88/31/328308831.db2.gz SKJJIZZNOIXXQF-IBGZPJMESA-N 1 0 359.433 2.405 20 30 FEEDRO COc1ccc(C[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1C#N ZINC000192241969 328308916 /nfs/dbraw/zinc/30/89/16/328308916.db2.gz OJYFMHIBZZGOET-IBGZPJMESA-N 1 0 360.417 2.329 20 30 FEEDRO Cc1cccc(N2CC[NH+](CCCNC(=O)c3ccnc(C#N)c3)CC2)c1 ZINC000192648009 328330596 /nfs/dbraw/zinc/33/05/96/328330596.db2.gz COOQAAVMQJFLLK-UHFFFAOYSA-N 1 0 363.465 2.204 20 30 FEEDRO Cc1nc(C#N)c(N2CCC(C(=O)NC[C@H](CC(C)C)[NH+](C)C)CC2)o1 ZINC000193249105 328364858 /nfs/dbraw/zinc/36/48/58/328364858.db2.gz CNGTWPHLIMWRMV-INIZCTEOSA-N 1 0 361.490 2.164 20 30 FEEDRO CC(C)COC[C@H](O)C[NH+]1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000195422019 328476510 /nfs/dbraw/zinc/47/65/10/328476510.db2.gz QDJMIGHBRSYTNS-GOSISDBHSA-N 1 0 368.481 2.262 20 30 FEEDRO Cc1nc(C#N)c(N2CCN(C(=O)C[NH2+]C(C)(C)CC(C)(C)C)CC2)o1 ZINC000053123828 324730666 /nfs/dbraw/zinc/73/06/66/324730666.db2.gz JOVMXBXMUABJMU-UHFFFAOYSA-N 1 0 361.490 2.308 20 30 FEEDRO N#Cc1ccccc1N1CC[NH+](C[C@H](O)COCc2ccccc2)CC1 ZINC000084926225 325247213 /nfs/dbraw/zinc/24/72/13/325247213.db2.gz XBUNBKPQZFNOCQ-FQEVSTJZSA-N 1 0 351.450 2.258 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(OC)c(OC)cc2C)c1C#N ZINC000089675058 325326845 /nfs/dbraw/zinc/32/68/45/325326845.db2.gz YRYTVQUUOPBOHA-UHFFFAOYSA-N 1 0 357.414 2.011 20 30 FEEDRO C[C@@H](c1cn(-c2ccccc2)nn1)[N@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000089943660 325343934 /nfs/dbraw/zinc/34/39/34/325343934.db2.gz SJIJAZUYDUAKRG-ZDUSSCGKSA-N 1 0 350.430 2.070 20 30 FEEDRO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1CCN1CCCc2ccccc21 ZINC000090552222 325363555 /nfs/dbraw/zinc/36/35/55/325363555.db2.gz FLPDDXIHHAHYGU-KRWDZBQOSA-N 1 0 362.481 2.312 20 30 FEEDRO CC(C)[NH2+]C1CCN(C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CC1 ZINC000111853482 325740529 /nfs/dbraw/zinc/74/05/29/325740529.db2.gz VJECBQRLNNYCFV-UHFFFAOYSA-N 1 0 370.501 2.094 20 30 FEEDRO CCC[NH+]1CCC(N2CCN(C(=O)NCc3cccc(C#N)c3)CC2)CC1 ZINC000113590082 325854814 /nfs/dbraw/zinc/85/48/14/325854814.db2.gz TXNZOYYUCHNXEJ-UHFFFAOYSA-N 1 0 369.513 2.260 20 30 FEEDRO Cc1nc(C#N)c(N2CCN(C(=O)C[NH2+][C@@H]3CCCCC3(C)C)CC2)o1 ZINC000119999036 326220055 /nfs/dbraw/zinc/22/00/55/326220055.db2.gz IHEZXOQVXVSCET-MRXNPFEDSA-N 1 0 359.474 2.062 20 30 FEEDRO CC[C@H]1CCCC[C@H]1[N@H+](C)CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 ZINC000120893751 326297205 /nfs/dbraw/zinc/29/72/05/326297205.db2.gz OZGBTHPUPOZPDW-FUHWJXTLSA-N 1 0 373.501 2.404 20 30 FEEDRO CCC[C@H]1CN(CC(=O)Nc2oc(C)c(C)c2C#N)CC[N@@H+]1CCOC ZINC000121646189 326354664 /nfs/dbraw/zinc/35/46/64/326354664.db2.gz UZNGSOXYWKSABY-INIZCTEOSA-N 1 0 362.474 2.139 20 30 FEEDRO N#Cc1cc(F)ccc1S(=O)(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000121708001 326359967 /nfs/dbraw/zinc/35/99/67/326359967.db2.gz UJIPVKPRZAWFKN-DYVFJYSZSA-N 1 0 363.458 2.335 20 30 FEEDRO CCC(CC)(C[NH3+])NS(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000124062235 326447085 /nfs/dbraw/zinc/44/70/85/326447085.db2.gz VFTASBMCVWLVMB-UHFFFAOYSA-N 1 0 360.277 2.117 20 30 FEEDRO C[NH+](C)Cc1ccc(CNS(=O)(=O)Cc2cccc(C#N)c2)cc1F ZINC000134905155 326633386 /nfs/dbraw/zinc/63/33/86/326633386.db2.gz NPBDZNQYNDKPIM-UHFFFAOYSA-N 1 0 361.442 2.379 20 30 FEEDRO N#Cc1ccc(SCC(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)cc1 ZINC000136960652 326656695 /nfs/dbraw/zinc/65/66/95/326656695.db2.gz PCZSQSCHYSGYMC-MRXNPFEDSA-N 1 0 359.495 2.267 20 30 FEEDRO Cc1cccc(S(=O)(=O)NCc2ccc(OCC[NH+](C)C)cc2)c1C#N ZINC000156579754 326836448 /nfs/dbraw/zinc/83/64/48/326836448.db2.gz DLRJXNAIIMRGAH-UHFFFAOYSA-N 1 0 373.478 2.286 20 30 FEEDRO C[NH+](C)CCCC1CCN(S(=O)(=O)c2ccc(C#N)cc2F)CC1 ZINC000166295127 327081199 /nfs/dbraw/zinc/08/11/99/327081199.db2.gz QGFSDFZBJMTEGA-UHFFFAOYSA-N 1 0 353.463 2.440 20 30 FEEDRO C[C@@H]1C[N@@H+](CC2CCN(CC(=O)Nc3ccc(C#N)cc3)CC2)C[C@H](C)O1 ZINC000170780153 327098719 /nfs/dbraw/zinc/09/87/19/327098719.db2.gz AVLWJPBVRRTTBF-CALCHBBNSA-N 1 0 370.497 2.318 20 30 FEEDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)CNC(=O)c2ccc(C#N)cc2)C1 ZINC000171112641 327119166 /nfs/dbraw/zinc/11/91/66/327119166.db2.gz LBGJQAFRXAZSTN-CALCHBBNSA-N 1 0 370.497 2.162 20 30 FEEDRO Cc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)Nc2cccc(C#N)c2)c1 ZINC000171394342 327136603 /nfs/dbraw/zinc/13/66/03/327136603.db2.gz FUMAHPUONIZDFX-UHFFFAOYSA-N 1 0 364.449 2.396 20 30 FEEDRO Cc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000171787388 327161280 /nfs/dbraw/zinc/16/12/80/327161280.db2.gz QUAITRHLEWPEIE-INIZCTEOSA-N 1 0 364.449 2.442 20 30 FEEDRO C[NH+](C)Cc1cccc(NC(=O)C(=O)NCc2cc(C#N)ccc2F)c1 ZINC000173477905 327260128 /nfs/dbraw/zinc/26/01/28/327260128.db2.gz LXUINGMJWQHFNV-UHFFFAOYSA-N 1 0 354.385 2.014 20 30 FEEDRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000173831720 327287410 /nfs/dbraw/zinc/28/74/10/327287410.db2.gz XQYLXUVOCQYPMR-ZIAGYGMSSA-N 1 0 353.875 2.459 20 30 FEEDRO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000173831061 327287434 /nfs/dbraw/zinc/28/74/34/327287434.db2.gz ORXJOHKHOOGZCY-UONOGXRCSA-N 1 0 353.875 2.459 20 30 FEEDRO COc1ccc(C[NH2+]Cc2cccc(OCC(=O)N(C)C)c2)cc1C#N ZINC000174279038 327316723 /nfs/dbraw/zinc/31/67/23/327316723.db2.gz DMTVVMBHLRJBQD-UHFFFAOYSA-N 1 0 353.422 2.324 20 30 FEEDRO COc1cccc(NC(=O)CC[NH+]2CCN(c3ccc(C#N)cn3)CC2)c1 ZINC000174747903 327348005 /nfs/dbraw/zinc/34/80/05/327348005.db2.gz IWUHKQJLJJKCNQ-UHFFFAOYSA-N 1 0 365.437 2.113 20 30 FEEDRO C[NH+](C)Cc1ccc(CNC(=O)NCCOc2ccc(C#N)cc2)cc1 ZINC000174780390 327350535 /nfs/dbraw/zinc/35/05/35/327350535.db2.gz XWGHXWDUNPAVJY-UHFFFAOYSA-N 1 0 352.438 2.498 20 30 FEEDRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)c2cc(C#N)c[nH]2)c1 ZINC000177538270 327529333 /nfs/dbraw/zinc/52/93/33/327529333.db2.gz GIYKIZCNIKGEGV-UHFFFAOYSA-N 1 0 353.426 2.210 20 30 FEEDRO N#Cc1ccc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)cc1Cl ZINC000264598254 329039407 /nfs/dbraw/zinc/03/94/07/329039407.db2.gz XHDQDEADLNYQLM-OAHLLOKOSA-N 1 0 360.845 2.237 20 30 FEEDRO C[C@H](CNC(=O)OC(C)(C)C)[N@H+](C)C[C@H](O)COc1ccc(C#N)cc1 ZINC000264746142 329056051 /nfs/dbraw/zinc/05/60/51/329056051.db2.gz UCLIWLQFJKKDNC-ZBFHGGJFSA-N 1 0 363.458 2.143 20 30 FEEDRO COC(=O)[C@H]1CCCC[C@@]1(C)[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000270492535 329605100 /nfs/dbraw/zinc/60/51/00/329605100.db2.gz UXYDPNKFRLAQEO-SJLPKXTDSA-N 1 0 364.467 2.043 20 30 FEEDRO COC(=O)[C@@H]1CCCC[C@@]1(C)[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000270492533 329605232 /nfs/dbraw/zinc/60/52/32/329605232.db2.gz UXYDPNKFRLAQEO-FUHWJXTLSA-N 1 0 364.467 2.043 20 30 FEEDRO CCOC(=O)[C@@H]1CCCN(C(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2)C1 ZINC000271694914 329716341 /nfs/dbraw/zinc/71/63/41/329716341.db2.gz SGUAZWNORCMETN-RLFYNMQTSA-N 1 0 357.454 2.399 20 30 FEEDRO C[NH+](C)C1(CNC(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)CCC1 ZINC000275642245 330073609 /nfs/dbraw/zinc/07/36/09/330073609.db2.gz OAVZPUHKIHPGQM-UHFFFAOYSA-N 1 0 371.485 2.427 20 30 FEEDRO COCCn1cc(C[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3F)C2)cn1 ZINC000361466697 330204875 /nfs/dbraw/zinc/20/48/75/330204875.db2.gz ZQVXWYVCMBGRMN-QGZVFWFLSA-N 1 0 357.433 2.299 20 30 FEEDRO COc1cc(C#N)ccc1OCC[N@H+](C)C1CCN(c2cnccn2)CC1 ZINC000364808865 330206221 /nfs/dbraw/zinc/20/62/21/330206221.db2.gz BEFGNGCXSMMNHU-UHFFFAOYSA-N 1 0 367.453 2.336 20 30 FEEDRO Cc1ccc(C#N)cc1NC(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000367184295 330227379 /nfs/dbraw/zinc/22/73/79/330227379.db2.gz JLYGPHPQDDSXIB-APWZRJJASA-N 1 0 355.486 2.356 20 30 FEEDRO CC[C@](C)([NH2+]CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2)C(N)=O ZINC000411382656 330256333 /nfs/dbraw/zinc/25/63/33/330256333.db2.gz CSDMJBNVYLOCMO-VOJFVSQTSA-N 1 0 362.499 2.317 20 30 FEEDRO N#Cc1cc(Br)ccc1C[NH2+][C@H](CC(N)=O)C1CCOCC1 ZINC000554272880 674310300 /nfs/dbraw/zinc/31/03/00/674310300.db2.gz WLLDMCGFCGBKMI-OAHLLOKOSA-N 1 0 366.259 2.081 20 30 FEEDRO Cc1ccc(S(=O)(=O)N2CCC([NH2+]C[C@@H](C#N)CCC#N)CC2)cc1 ZINC000554452461 674317711 /nfs/dbraw/zinc/31/77/11/674317711.db2.gz UIEXQKNMWWZGDJ-MRXNPFEDSA-N 1 0 360.483 2.181 20 30 FEEDRO C#C[C@H](NC(=O)N[C@@H]1CC[N@@H+](CCOC)C1)c1ccc(Cl)cc1F ZINC000805136223 674321876 /nfs/dbraw/zinc/32/18/76/674321876.db2.gz AWQYRMQCQOCMKJ-CJNGLKHVSA-N 1 0 353.825 2.173 20 30 FEEDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)Nc3ccc(C#N)c(Cl)c3)CC[C@@H]21 ZINC000155370281 545518729 /nfs/dbraw/zinc/51/87/29/545518729.db2.gz QOLRVEYUAKOUMD-CJNGLKHVSA-N 1 0 360.845 2.093 20 30 FEEDRO CS(=O)(=O)NCC[C@H]1CCCC[N@@H+]1CCCOc1cccc(C#N)c1 ZINC000155620311 545549957 /nfs/dbraw/zinc/54/99/57/545549957.db2.gz BQJWXHISAQPIKI-QGZVFWFLSA-N 1 0 365.499 2.121 20 30 FEEDRO Cc1nc(CN2CCC[N@H+](CCCOc3cccc(C#N)c3)CC2)no1 ZINC000156191475 545607056 /nfs/dbraw/zinc/60/70/56/545607056.db2.gz LADPJEUUPHUZRD-UHFFFAOYSA-N 1 0 355.442 2.227 20 30 FEEDRO C[N@@H+]1CCCC[C@@H]1CN1CCN(CCCOc2cccc(C#N)c2)CC1 ZINC000156294103 545615125 /nfs/dbraw/zinc/61/51/25/545615125.db2.gz MPBVAVVYLMMVGS-HXUWFJFHSA-N 1 0 356.514 2.429 20 30 FEEDRO CC(=O)N1CC[C@@H](C[N@@H+](C)CC(=O)Nc2ccccc2SCC#N)C1 ZINC000156622254 545640123 /nfs/dbraw/zinc/64/01/23/545640123.db2.gz SDJXZEAIAFKAQS-HNNXBMFYSA-N 1 0 360.483 2.041 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(F)cc1)S(=O)(=O)c1ccccc1C#N ZINC000156646586 545642248 /nfs/dbraw/zinc/64/22/48/545642248.db2.gz UYNOLKXEFYJMMY-UHFFFAOYSA-N 1 0 361.442 2.450 20 30 FEEDRO CN(C[C@@H]1CC[N@H+](C)C1)S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000157244083 545717882 /nfs/dbraw/zinc/71/78/82/545717882.db2.gz GPMGJZAEKQASLN-LLVKDONJSA-N 1 0 361.389 2.149 20 30 FEEDRO COCCOc1ccc(C#N)cc1NC(=O)N1CCC([NH+]2CC=CC2)CC1 ZINC000157605064 545760000 /nfs/dbraw/zinc/76/00/00/545760000.db2.gz JVCHLVRLLLRBDJ-UHFFFAOYSA-N 1 0 370.453 2.452 20 30 FEEDRO C=CCN(CCc1ccco1)C(=O)C(=O)NCC1CC[NH+](CCC)CC1 ZINC000477715229 561151900 /nfs/dbraw/zinc/15/19/00/561151900.db2.gz NIFBXHHVVQSFMO-UHFFFAOYSA-N 1 0 361.486 2.075 20 30 FEEDRO C[NH+](C)Cc1ccccc1CNS(=O)(=O)Cc1ccc(C#N)cc1F ZINC000478133440 561160565 /nfs/dbraw/zinc/16/05/65/561160565.db2.gz GCCYVMQLBOZCJM-UHFFFAOYSA-N 1 0 361.442 2.379 20 30 FEEDRO CC(C)Oc1ccc(NC(=O)C(=O)NCC[N@@H+]2CCCC[C@@H]2C)cc1C#N ZINC000160178583 546014719 /nfs/dbraw/zinc/01/47/19/546014719.db2.gz DXIRAVPWIYBYJO-HNNXBMFYSA-N 1 0 372.469 2.275 20 30 FEEDRO C=CCOc1ccc(/C=C/C(=O)NC[C@@H](O)C[NH+]2CCCCC2)cc1OC ZINC000160647251 546058748 /nfs/dbraw/zinc/05/87/48/546058748.db2.gz NXCZZSQTBSHULO-XSFOEPMVSA-N 1 0 374.481 2.236 20 30 FEEDRO CCC(=O)N1CC[C@H](NC(NCc2coc(-c3ccc(C)cc3)n2)=[NH+]C)C1 ZINC000161141218 546104066 /nfs/dbraw/zinc/10/40/66/546104066.db2.gz ZYTXXRGVZWZXEJ-INIZCTEOSA-N 1 0 369.469 2.326 20 30 FEEDRO CCC(=O)N1CC[C@H](NC(NCc2csc(-c3ccccc3)n2)=[NH+]C)C1 ZINC000161224379 546112095 /nfs/dbraw/zinc/11/20/95/546112095.db2.gz BATSICISVVOMTA-HNNXBMFYSA-N 1 0 371.510 2.486 20 30 FEEDRO C=CCCCCC[N@@H+](C)CC(=O)Nc1cc(S(N)(=O)=O)ccc1C ZINC000163597676 546146105 /nfs/dbraw/zinc/14/61/05/546146105.db2.gz ZFOUTIWWXFJJSN-UHFFFAOYSA-N 1 0 353.488 2.259 20 30 FEEDRO [NH2+]=C(NC[C@H](O)COc1ccc(C(F)(F)F)cc1)Nc1ccccn1 ZINC000170910706 546181365 /nfs/dbraw/zinc/18/13/65/546181365.db2.gz UNWFMQNGCALOMU-LBPRGKRZSA-N 1 0 354.332 2.267 20 30 FEEDRO CC(C)(C#N)c1ccc(NC(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000171100341 546189777 /nfs/dbraw/zinc/18/97/77/546189777.db2.gz IORNWYWBMGERHP-KRWDZBQOSA-N 1 0 354.454 2.123 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N2CCN([C@H](C)c3cccc(OC)c3)CC2)CC1 ZINC000171586121 546215234 /nfs/dbraw/zinc/21/52/34/546215234.db2.gz CUJMLBJACFCEJP-GOSISDBHSA-N 1 0 369.509 2.246 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)[C@H](C(C)C)n2nnc(-c3ccccc3)n2)CC1 ZINC000171715573 546220831 /nfs/dbraw/zinc/22/08/31/546220831.db2.gz WAGRHADPGPYJBF-SFHVURJKSA-N 1 0 368.485 2.304 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N(C)[C@H]2CCCN(c3ccccc3)C2=O)CC1 ZINC000172151076 546237845 /nfs/dbraw/zinc/23/78/45/546237845.db2.gz GZILFAOGYJGWML-IBGZPJMESA-N 1 0 370.497 2.474 20 30 FEEDRO C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccccc2SCCC#N)C1 ZINC000172291193 546245017 /nfs/dbraw/zinc/24/50/17/546245017.db2.gz ZWBWEJQPNSWRFZ-AWEZNQCLSA-N 1 0 360.483 2.041 20 30 FEEDRO C#CCSCCNC(=O)C(=O)Nc1cccc2c1C[N@H+]([C@@H](C)C(C)C)C2 ZINC000172542817 546257390 /nfs/dbraw/zinc/25/73/90/546257390.db2.gz ITJJPPNKVCROOM-HNNXBMFYSA-N 1 0 373.522 2.468 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(CC(F)(F)F)cc2)CC1 ZINC000173275436 546276938 /nfs/dbraw/zinc/27/69/38/546276938.db2.gz QJMNPYMWHBHAIG-UHFFFAOYSA-N 1 0 369.387 2.497 20 30 FEEDRO C#CCOc1ccc(F)cc1NC(=O)N1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000173799837 546286935 /nfs/dbraw/zinc/28/69/35/546286935.db2.gz UIXJEPMOMHWAJQ-QGZVFWFLSA-N 1 0 374.460 2.081 20 30 FEEDRO Cc1cc(N2CC[C@@H]([NH2+]Cc3cccc(OCCCC#N)c3)C2=O)n(C)n1 ZINC000174620300 546300250 /nfs/dbraw/zinc/30/02/50/546300250.db2.gz LIUKALRWHFAQHQ-GOSISDBHSA-N 1 0 367.453 2.306 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N[C@@H](C)c2nc(-c3cccc(OC)c3)no2)CC1 ZINC000174638607 546301104 /nfs/dbraw/zinc/30/11/04/546301104.db2.gz WWCCAJGJXMOFES-AWEZNQCLSA-N 1 0 368.437 2.268 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N[C@@H](C)c2nc(-c3cccc(F)c3)no2)CC1 ZINC000174738153 546302195 /nfs/dbraw/zinc/30/21/95/546302195.db2.gz LONLJHRMXRVUPX-ZDUSSCGKSA-N 1 0 356.401 2.398 20 30 FEEDRO C[NH+](C)CCCNC(=O)CC1S/C(=N/c2ccccc2Cl)NC1=O ZINC000174892482 546304597 /nfs/dbraw/zinc/30/45/97/546304597.db2.gz BQAQCPYVKVRAAI-ZDUSSCGKSA-N 1 0 368.890 2.017 20 30 FEEDRO N#CCOc1ccccc1C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000175120259 546306458 /nfs/dbraw/zinc/30/64/58/546306458.db2.gz XHVDFMWKSGRQPL-UHFFFAOYSA-N 1 0 357.454 2.306 20 30 FEEDRO C[C@H]1CCC[N@H+](CCCCNC(=O)C(=O)Nc2ccc(F)cc2C#N)C1 ZINC000175949702 546377681 /nfs/dbraw/zinc/37/76/81/546377681.db2.gz TUQAMILEWQIWSX-AWEZNQCLSA-N 1 0 360.433 2.264 20 30 FEEDRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)Nc2ccc(F)cc2C#N)C1 ZINC000175967716 546381624 /nfs/dbraw/zinc/38/16/24/546381624.db2.gz MQKVWJSUXKPLLE-ZDUSSCGKSA-N 1 0 360.433 2.263 20 30 FEEDRO CCc1cnc(CNC(N[C@H]2CCc3nnc(C(C)C)n3C2)=[NH+]C)s1 ZINC000176013048 546390178 /nfs/dbraw/zinc/39/01/78/546390178.db2.gz IZXAENZZKLEZNT-LBPRGKRZSA-N 1 0 361.519 2.100 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)Cn2nnc(-c3ccc(Cl)cc3)n2)CC1 ZINC000176244567 546423673 /nfs/dbraw/zinc/42/36/73/546423673.db2.gz HXOXYRRSXFBHMO-UHFFFAOYSA-N 1 0 374.876 2.150 20 30 FEEDRO CC(C)OCC[NH+]1CCC(NC(=O)NCc2ccc(OCC#N)cc2)CC1 ZINC000176314583 546431227 /nfs/dbraw/zinc/43/12/27/546431227.db2.gz IIROPVUVBRQAIY-UHFFFAOYSA-N 1 0 374.485 2.278 20 30 FEEDRO COc1cc2c(cc1OC)CN(CC[NH2+]Cc1cc(C#N)n(C)c1)CC2 ZINC000480342717 561207515 /nfs/dbraw/zinc/20/75/15/561207515.db2.gz IEGXGSOBSFRZLE-UHFFFAOYSA-N 1 0 354.454 2.062 20 30 FEEDRO C[NH+]1CCN(CCOc2ccc(NC(=O)C#Cc3ccccc3)cc2)CC1 ZINC000176481736 546451641 /nfs/dbraw/zinc/45/16/41/546451641.db2.gz CVGBIINWPYMZLX-UHFFFAOYSA-N 1 0 363.461 2.303 20 30 FEEDRO CC(C)CC[NH+]1CCC(CNC(=O)C(=O)Nc2cccc(C#N)c2)CC1 ZINC000177342890 546598102 /nfs/dbraw/zinc/59/81/02/546598102.db2.gz HJSFQVNKAFWRCR-UHFFFAOYSA-N 1 0 356.470 2.371 20 30 FEEDRO N#CC1CCN(C(=O)C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000177440596 546619089 /nfs/dbraw/zinc/61/90/89/546619089.db2.gz JULQVYKLSPRULJ-UHFFFAOYSA-N 1 0 354.454 2.373 20 30 FEEDRO N#Cc1ccc(CS(=O)(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)c(F)c1 ZINC000481026855 561223290 /nfs/dbraw/zinc/22/32/90/561223290.db2.gz UNLTXPQSZGHGSB-KRWDZBQOSA-N 1 0 365.474 2.477 20 30 FEEDRO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 ZINC000177738368 546677221 /nfs/dbraw/zinc/67/72/21/546677221.db2.gz ZHQXORUVNGGVFI-IRXDYDNUSA-N 1 0 371.485 2.049 20 30 FEEDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)C1 ZINC000178027544 546725384 /nfs/dbraw/zinc/72/53/84/546725384.db2.gz QTWAWQHZEJXXSC-DLBZAZTESA-N 1 0 356.470 2.415 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N2CCN(Cc3cccc(F)c3)CC2)CC1 ZINC000178089979 546737302 /nfs/dbraw/zinc/73/73/02/546737302.db2.gz NIXVWIAYHSHICZ-UHFFFAOYSA-N 1 0 360.477 2.303 20 30 FEEDRO C=CCOc1ccc(C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)cc1OC ZINC000178101518 546739080 /nfs/dbraw/zinc/73/90/80/546739080.db2.gz ICQDJUIZCZBYJS-MRXNPFEDSA-N 1 0 360.454 2.054 20 30 FEEDRO C=CCN(CC=C)C(=O)[C@H](C)O/[NH+]=C/c1ccc(N2CCOCC2)cc1 ZINC000178123693 546742261 /nfs/dbraw/zinc/74/22/61/546742261.db2.gz MKUSABUQZRGUCX-QFGIDJEJSA-N 1 0 357.454 2.463 20 30 FEEDRO CC[C@H](C)NC(=O)[C@H](C)ON=C(N)c1cccc(Cn2nc(C)cc2C)c1 ZINC000178156382 546748123 /nfs/dbraw/zinc/74/81/23/546748123.db2.gz LUJQOCRCFZNTQZ-BBRMVZONSA-N 1 0 371.485 2.488 20 30 FEEDRO CC[C@@H](C)NC(=O)[C@@H](C)ON=C(N)c1cccc(Cn2nc(C)cc2C)c1 ZINC000178156340 546748145 /nfs/dbraw/zinc/74/81/45/546748145.db2.gz LUJQOCRCFZNTQZ-CZUORRHYSA-N 1 0 371.485 2.488 20 30 FEEDRO C[C@H]([NH2+]CCCCC#N)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000178641946 546826249 /nfs/dbraw/zinc/82/62/49/546826249.db2.gz YKFUUHKCCRPHFX-HNNXBMFYSA-N 1 0 351.472 2.052 20 30 FEEDRO CN(C)C(=O)C1CC[NH+](Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1 ZINC000179886843 547024538 /nfs/dbraw/zinc/02/45/38/547024538.db2.gz VRCITIIBMHYCHX-UHFFFAOYSA-N 1 0 351.454 2.259 20 30 FEEDRO CC[C@H]1Oc2cc([C@@H](C)[NH2+]CC(=O)N(CC)CCC#N)ccc2NC1=O ZINC000180004189 547037573 /nfs/dbraw/zinc/03/75/73/547037573.db2.gz HRMRJEOAPXHGHR-CZUORRHYSA-N 1 0 358.442 2.209 20 30 FEEDRO Cn1cc(C[NH2+]CC(=O)NC2CCCCC2)c(-c2ccc(C#N)cc2)n1 ZINC000180195663 547066458 /nfs/dbraw/zinc/06/64/58/547066458.db2.gz YXBDSQVOGZTQHB-UHFFFAOYSA-N 1 0 351.454 2.497 20 30 FEEDRO CC(=O)N1CC[C@@H](C[N@@H+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000180288297 547079275 /nfs/dbraw/zinc/07/92/75/547079275.db2.gz OLFVWIHWEDTTCR-KRWDZBQOSA-N 1 0 351.454 2.259 20 30 FEEDRO C=CCSCC[NH2+][C@H](C)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000180454157 547110568 /nfs/dbraw/zinc/11/05/68/547110568.db2.gz POOUTTIORHFYEO-OAHLLOKOSA-N 1 0 370.540 2.277 20 30 FEEDRO C#CCOc1ccc(C[NH2+]C2CCN(S(=O)(=O)CC(C)C)CC2)cc1 ZINC000181110758 547252694 /nfs/dbraw/zinc/25/26/94/547252694.db2.gz DHSNLNJILOHXKQ-UHFFFAOYSA-N 1 0 364.511 2.238 20 30 FEEDRO CCCNC(=O)CN1CCC([NH2+][C@@H](C)c2ccc(OCC#N)cc2)CC1 ZINC000181486587 547321992 /nfs/dbraw/zinc/32/19/92/547321992.db2.gz GTEHBOBGPSGOIK-INIZCTEOSA-N 1 0 358.486 2.230 20 30 FEEDRO C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000181642481 547350350 /nfs/dbraw/zinc/35/03/50/547350350.db2.gz JPHKWJQVYIFCBD-CYBMUJFWSA-N 1 0 372.469 2.341 20 30 FEEDRO NC(=O)C[C@@H]([NH2+]CC#Cc1ccc(OC(F)(F)F)cc1)C1CCOCC1 ZINC000181969096 547415694 /nfs/dbraw/zinc/41/56/94/547415694.db2.gz YGFQKRFMUXKVKK-MRXNPFEDSA-N 1 0 370.371 2.197 20 30 FEEDRO C=C(C)COc1cc(C[NH2+]C[C@@H]2CC[C@@H](C(=O)N(C)C)O2)ccc1OC ZINC000182041220 547427130 /nfs/dbraw/zinc/42/71/30/547427130.db2.gz VKGRVEYKBFLFNH-WMZOPIPTSA-N 1 0 362.470 2.376 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cnn([C@H](C)CC)c2C)CC1 ZINC000483872683 561285376 /nfs/dbraw/zinc/28/53/76/561285376.db2.gz PLOBJZDRWIVAMR-CQSZACIVSA-N 1 0 361.490 2.258 20 30 FEEDRO C[C@@H](C#N)CNC(=O)NCc1cccc(OCC[N@H+](C)C2CCOCC2)c1 ZINC000182640161 547526881 /nfs/dbraw/zinc/52/68/81/547526881.db2.gz QRTWGDLPVAPFOQ-INIZCTEOSA-N 1 0 374.485 2.135 20 30 FEEDRO C[N@@H+]1CCC[C@@H]2CN([C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)CC[C@@H]21 ZINC000182850543 547561278 /nfs/dbraw/zinc/56/12/78/547561278.db2.gz NAWYXHIMUBEXHO-YZGWKJHDSA-N 1 0 352.482 2.470 20 30 FEEDRO COC(=O)c1cn(C2CC[NH+](CCCOc3cccc(C#N)c3)CC2)nn1 ZINC000183714620 547706490 /nfs/dbraw/zinc/70/64/90/547706490.db2.gz PVOLHBXTMXSVDM-UHFFFAOYSA-N 1 0 369.425 2.042 20 30 FEEDRO COCCOc1ccc(C#N)cc1NC(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000184598849 547852519 /nfs/dbraw/zinc/85/25/19/547852519.db2.gz IBDIXYOWPGJFJI-MRXNPFEDSA-N 1 0 360.458 2.389 20 30 FEEDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000184598698 547852776 /nfs/dbraw/zinc/85/27/76/547852776.db2.gz GUTFYCKDSRVHAK-KRWDZBQOSA-N 1 0 367.457 2.477 20 30 FEEDRO C[C@H](C#N)Oc1ccccc1NC(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1 ZINC000184617748 547855732 /nfs/dbraw/zinc/85/57/32/547855732.db2.gz YSLYOAKYIHAIAY-JKSUJKDBSA-N 1 0 359.474 2.125 20 30 FEEDRO COc1cc(C#N)ccc1S(=O)(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000185406817 547980633 /nfs/dbraw/zinc/98/06/33/547980633.db2.gz FBVRDBCBKTVCTD-AWEZNQCLSA-N 1 0 351.472 2.110 20 30 FEEDRO C=CCSc1ccccc1C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000485463145 561319609 /nfs/dbraw/zinc/31/96/09/561319609.db2.gz GZZVBCFONUPBOZ-OAHLLOKOSA-N 1 0 361.511 2.282 20 30 FEEDRO C=CCC[C@@H](C)[NH2+]Cc1ccccc1S(=O)(=O)N1CCN(C)CC1 ZINC000185476489 547989504 /nfs/dbraw/zinc/98/95/04/547989504.db2.gz BNYNHAOWLAPNCM-MRXNPFEDSA-N 1 0 351.516 2.067 20 30 FEEDRO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+]CCC(=O)N(C)CCC#N ZINC000185644342 548013644 /nfs/dbraw/zinc/01/36/44/548013644.db2.gz MAVOMIYOWRPDHD-NSHDSACASA-N 1 0 359.396 2.475 20 30 FEEDRO CC#CCCCC(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000185725274 548025416 /nfs/dbraw/zinc/02/54/16/548025416.db2.gz KUVWAHOWRJUXHQ-IBGZPJMESA-N 1 0 355.482 2.194 20 30 FEEDRO C[C@H](C[NH+]1CCCCCC1)NC(=O)N1CCN(c2ncccc2C#N)CC1 ZINC000186131462 548089337 /nfs/dbraw/zinc/08/93/37/548089337.db2.gz WKNIUAADVKSKGB-QGZVFWFLSA-N 1 0 370.501 2.049 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C[C@@H](O)Cc1ccccc1 ZINC000485791367 561328117 /nfs/dbraw/zinc/32/81/17/561328117.db2.gz SNPWFBNQJOVEHE-NRFANRHFSA-N 1 0 365.477 2.442 20 30 FEEDRO C=CCNC(=S)C(C(=O)c1c(C)noc1C)[n+]1ccc(N(C)C)cc1 ZINC000186951964 548227604 /nfs/dbraw/zinc/22/76/04/548227604.db2.gz QWKOXDRDGFIIJI-UHFFFAOYSA-O 1 0 359.475 2.359 20 30 FEEDRO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)C2(c3ccc(C#N)cc3)CC2)CC1 ZINC000187974485 548268385 /nfs/dbraw/zinc/26/83/85/548268385.db2.gz QOVITWLNTIIVHB-INIZCTEOSA-N 1 0 355.482 2.141 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N[C@@H]2CCN(c3c(C)cc(C)cc3C)C2=O)CC1 ZINC000189930847 548314465 /nfs/dbraw/zinc/31/44/65/548314465.db2.gz DZGPMEIRUJESSU-LJQANCHMSA-N 1 0 367.493 2.179 20 30 FEEDRO C[N@H+](CC(=O)c1cn(CCC#N)c2ccccc12)C1(CO)CCOCC1 ZINC000190986545 548337952 /nfs/dbraw/zinc/33/79/52/548337952.db2.gz GUZYRTCVLOQBFJ-UHFFFAOYSA-N 1 0 355.438 2.211 20 30 FEEDRO CC(C)[C@H](C#N)N1CCN(C(=O)C[NH2+][C@H]2CCCc3c(O)cccc32)CC1 ZINC000192368970 548362598 /nfs/dbraw/zinc/36/25/98/548362598.db2.gz ZOXUAULWDVUPIG-OALUTQOASA-N 1 0 370.497 2.052 20 30 FEEDRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N(CCC#N)CCC(C)C ZINC000192602328 548367745 /nfs/dbraw/zinc/36/77/45/548367745.db2.gz SHLUHIZGAOOLKR-UHFFFAOYSA-N 1 0 369.535 2.012 20 30 FEEDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3ccc(C#N)s3)cn2)CC1 ZINC000486788727 561356551 /nfs/dbraw/zinc/35/65/51/561356551.db2.gz QSIAKAXLMIZYLR-UHFFFAOYSA-N 1 0 355.467 2.087 20 30 FEEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000194917251 548550738 /nfs/dbraw/zinc/55/07/38/548550738.db2.gz ZLUQBQFEKUYRJW-KFWWJZLASA-N 1 0 372.494 2.039 20 30 FEEDRO Cc1nc(-c2ncccn2)sc1C(=O)N(CCC#N)CCC[NH+](C)C ZINC000195159628 548587419 /nfs/dbraw/zinc/58/74/19/548587419.db2.gz DUGHRIPCZPUDFW-UHFFFAOYSA-N 1 0 358.471 2.216 20 30 FEEDRO C[C@@H]1CCCN(S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)[C@@H]1C[NH3+] ZINC000237557412 548834312 /nfs/dbraw/zinc/83/43/12/548834312.db2.gz KJTNBYGCNMTEQL-QMTHXVAHSA-N 1 0 361.389 2.325 20 30 FEEDRO C=CCN1C(=S)N=NC1c1sc(NC(=O)[C@@H]2CCCC[NH2+]2)nc1C ZINC000237669130 548843600 /nfs/dbraw/zinc/84/36/00/548843600.db2.gz SKZCMTVICNIYHG-JTQLQIEISA-N 1 0 364.500 2.265 20 30 FEEDRO CCC[C@H]1CN([C@H](C)C(=O)Nc2cccc(C#N)c2)CC[N@@H+]1CCOC ZINC000245863648 549006108 /nfs/dbraw/zinc/00/61/08/549006108.db2.gz FSHDDDZMXDINPI-APWZRJJASA-N 1 0 358.486 2.318 20 30 FEEDRO CCC[C@@H]1CN([C@@H](C(=O)OC)c2cccc(C#N)c2)CC[N@@H+]1CCOC ZINC000245931868 549022142 /nfs/dbraw/zinc/02/21/42/549022142.db2.gz PMFNESIECFCYMF-RTBURBONSA-N 1 0 359.470 2.205 20 30 FEEDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000246004503 549034833 /nfs/dbraw/zinc/03/48/33/549034833.db2.gz GWKSKWZNAZMXME-MCIONIFRSA-N 1 0 360.433 2.118 20 30 FEEDRO Cc1oc(NC(=O)[C@H](C)N2CCC([N@@H+]3CCO[C@@H](C)C3)CC2)c(C#N)c1C ZINC000246292652 549098897 /nfs/dbraw/zinc/09/88/97/549098897.db2.gz VGYVLUZKIZCVOE-ZFWWWQNUSA-N 1 0 374.485 2.280 20 30 FEEDRO C[C@H](C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1)[NH+]1CCCCCC1 ZINC000246387249 549121463 /nfs/dbraw/zinc/12/14/63/549121463.db2.gz OOLPLIYTRHWDEP-QUCCMNQESA-N 1 0 354.498 2.487 20 30 FEEDRO CC(=O)N1CC[C@H](C[N@@H+](C)[C@@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000246555119 549161260 /nfs/dbraw/zinc/16/12/60/549161260.db2.gz LMNZPGRKTAQYAH-FUHWJXTLSA-N 1 0 356.470 2.122 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N2CC[C@](C(=O)OC)(c3ccccc3)C2)CC1 ZINC000488808335 561397461 /nfs/dbraw/zinc/39/74/61/561397461.db2.gz YXVGCEFTERYFSP-OAQYLSRUSA-N 1 0 371.481 2.163 20 30 FEEDRO CC(=O)N1CC[C@H](C[N@@H+](C)[C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000246894238 549237332 /nfs/dbraw/zinc/23/73/32/549237332.db2.gz RIPVYZQVGQJEGZ-GXTWGEPZSA-N 1 0 362.861 2.339 20 30 FEEDRO CN1CCO[C@@H]([C@@H](NC(=O)c2ccnc(C#N)c2)c2ccc(Cl)cc2)C1 ZINC000248814422 549505842 /nfs/dbraw/zinc/50/58/42/549505842.db2.gz ABIKEYNFPSFQQC-MSOLQXFVSA-N 1 0 370.840 2.408 20 30 FEEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000249174471 549564444 /nfs/dbraw/zinc/56/44/44/549564444.db2.gz LVVLVMOIDJRBGH-WMLDXEAASA-N 1 0 372.469 2.083 20 30 FEEDRO C[NH+]=C(NCc1nc(-c2cccc(Cl)c2)no1)N(C)C[C@H]1CCOC1 ZINC000261624509 549735803 /nfs/dbraw/zinc/73/58/03/549735803.db2.gz ILFZLUWQOAPBSE-GFCCVEGCSA-N 1 0 363.849 2.434 20 30 FEEDRO COc1ccc(NC(=[NH2+])NCC(=O)N[C@H]2CCOc3ccccc32)cc1 ZINC000261860712 549763255 /nfs/dbraw/zinc/76/32/55/549763255.db2.gz RCWZSMQIPLOJGA-INIZCTEOSA-N 1 0 354.410 2.062 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)c(Cl)c1 ZINC000261925931 549770361 /nfs/dbraw/zinc/77/03/61/549770361.db2.gz SGEJUDMLANSPCC-HNNXBMFYSA-N 1 0 353.875 2.364 20 30 FEEDRO Cc1nnc(CNC(NCc2ccc3c(c2)OCO3)=[NH+]C2CCCC2)n1C ZINC000261951503 549773421 /nfs/dbraw/zinc/77/34/21/549773421.db2.gz HMSHHQOGNGGXQN-UHFFFAOYSA-N 1 0 370.457 2.030 20 30 FEEDRO CC(C)(C)NC(=[NH2+])NCc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000261987673 549777225 /nfs/dbraw/zinc/77/72/25/549777225.db2.gz KMTAAFSPOHRVAA-UHFFFAOYSA-N 1 0 352.504 2.064 20 30 FEEDRO C[NH+]=C(NCCc1cn2ccccc2n1)N1CC[C@H](Oc2ccccn2)C1 ZINC000262012589 549779680 /nfs/dbraw/zinc/77/96/80/549779680.db2.gz WXSZWNLWVJDCLZ-KRWDZBQOSA-N 1 0 364.453 2.001 20 30 FEEDRO C=CCN(CCc1ccco1)C(=O)[C@H]1CC(=O)N(C[C@H]2CCC[N@H+]2CC)C1 ZINC000490245538 561429588 /nfs/dbraw/zinc/42/95/88/561429588.db2.gz LPJGFJGDGHAMSU-ZWKOTPCHSA-N 1 0 373.497 2.170 20 30 FEEDRO Cc1ccc(CNC(NC[C@H]2CCS(=O)(=O)C2)=[NH+]C2CCCC2)s1 ZINC000262334348 549811749 /nfs/dbraw/zinc/81/17/49/549811749.db2.gz BNDCWBWAFSQZNW-CQSZACIVSA-N 1 0 369.556 2.469 20 30 FEEDRO CN(C)C(=O)CNC(NC1CCN(c2ccccc2)CC1)=[NH+]C1CCCC1 ZINC000262345640 549812873 /nfs/dbraw/zinc/81/28/73/549812873.db2.gz XWTWJFXSFUSIFY-UHFFFAOYSA-N 1 0 371.529 2.221 20 30 FEEDRO C[NH+]=C(NC[C@H](c1ccco1)N1CCCC1)N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000262467608 549822355 /nfs/dbraw/zinc/82/23/55/549822355.db2.gz TXVKRZZZLZUAAM-BURFUSLBSA-N 1 0 360.502 2.395 20 30 FEEDRO C[NH+]=C(NCc1cc(Cl)c2c(c1)OCCO2)N1CC[C@H](COC)C1 ZINC000262499864 549824773 /nfs/dbraw/zinc/82/47/73/549824773.db2.gz XXDNCIQBSSEDGJ-LBPRGKRZSA-N 1 0 353.850 2.155 20 30 FEEDRO C[C@@H]1C[NH+]=C(NC[C@H](c2ccc(C(F)(F)F)cc2)N2CCOCC2)N1 ZINC000262665777 549837057 /nfs/dbraw/zinc/83/70/57/549837057.db2.gz OPDQMZWNKHMXDO-IUODEOHRSA-N 1 0 356.392 2.016 20 30 FEEDRO CCc1cnc(CNC(N[C@H]2CCC[C@H](C(=O)N(C)C)C2)=[NH+]C)s1 ZINC000262775354 549848630 /nfs/dbraw/zinc/84/86/30/549848630.db2.gz JVOXBVGKFGZLGL-STQMWFEESA-N 1 0 351.520 2.018 20 30 FEEDRO CCc1cnc(CNC(N[C@@H]2CCC[C@@H](C(=O)N(C)C)C2)=[NH+]C)s1 ZINC000262775344 549848640 /nfs/dbraw/zinc/84/86/40/549848640.db2.gz JVOXBVGKFGZLGL-CHWSQXEVSA-N 1 0 351.520 2.018 20 30 FEEDRO C=CCNC(=O)Nc1ccc(NC(=O)[C@]2([NH3+])C[C@@H](OCC)C2(C)C)cc1 ZINC000262795202 549851023 /nfs/dbraw/zinc/85/10/23/549851023.db2.gz PGJAYZNFTFLPLT-DNVCBOLYSA-N 1 0 360.458 2.465 20 30 FEEDRO C=CCNC(=O)Nc1ccc(NC(=O)[C@@]2([NH3+])C[C@@H](OCC)C2(C)C)cc1 ZINC000262795201 549851312 /nfs/dbraw/zinc/85/13/12/549851312.db2.gz PGJAYZNFTFLPLT-BEFAXECRSA-N 1 0 360.458 2.465 20 30 FEEDRO CC[N@H+](C)[C@@H](C(=O)N1CCN(c2ncccc2C#N)CC1)c1ccccc1 ZINC000264014065 549968148 /nfs/dbraw/zinc/96/81/48/549968148.db2.gz GYCSASRUFGSFID-LJQANCHMSA-N 1 0 363.465 2.295 20 30 FEEDRO CC[N@H+](C)[C@H](C(=O)N1CCN(c2cc(C#N)ccn2)CC1)c1ccccc1 ZINC000264049204 549972568 /nfs/dbraw/zinc/97/25/68/549972568.db2.gz SIWVLEQRWBZUPB-FQEVSTJZSA-N 1 0 363.465 2.295 20 30 FEEDRO COc1ccccc1CNC(=[NH2+])NCc1cc(OC)c(OC)cc1OC ZINC000264062146 549974128 /nfs/dbraw/zinc/97/41/28/549974128.db2.gz CZRZTCDQCQZQJF-UHFFFAOYSA-N 1 0 359.426 2.326 20 30 FEEDRO CCOC(=O)N1CCC(NC(=[NH2+])NCC2(c3ccc(F)cc3)CC2)CC1 ZINC000264075636 549976108 /nfs/dbraw/zinc/97/61/08/549976108.db2.gz FQMLSQHFKFBVAF-UHFFFAOYSA-N 1 0 362.449 2.383 20 30 FEEDRO COc1ccc(CCNC(=[NH2+])NCc2cn3cc(C)ccc3n2)cc1OC ZINC000264096029 549978535 /nfs/dbraw/zinc/97/85/35/549978535.db2.gz MSSICWVDWZLCEU-UHFFFAOYSA-N 1 0 367.453 2.307 20 30 FEEDRO Cc1cc(C)cc(NC(=[NH2+])NCc2cccnc2N2CCN(C)CC2)c1 ZINC000264101237 549979178 /nfs/dbraw/zinc/97/91/78/549979178.db2.gz NYXVFTANHDPNIO-UHFFFAOYSA-N 1 0 352.486 2.377 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cccc(-n3nnnc3C)c2)CC1 ZINC000264358731 549994466 /nfs/dbraw/zinc/99/44/66/549994466.db2.gz HGVVTENUJWIQPF-UHFFFAOYSA-N 1 0 355.446 2.133 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)NCc2cccc(C(=O)NC3CC3)c2)CC1 ZINC000264434022 549995924 /nfs/dbraw/zinc/99/59/24/549995924.db2.gz VHECYZKOZGHSBW-UHFFFAOYSA-N 1 0 356.470 2.028 20 30 FEEDRO COCCN1CC[C@@H]([NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000264965573 550004308 /nfs/dbraw/zinc/00/43/08/550004308.db2.gz PIUVSDDUBXFIDM-LJQANCHMSA-N 1 0 353.470 2.274 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)Nc2nnc3n(C)[nH]c(-c4ccccc4)c2-3)CC1 ZINC000265240000 550008190 /nfs/dbraw/zinc/00/81/90/550008190.db2.gz OIGNSBRNYWNDCS-UHFFFAOYSA-N 1 0 362.437 2.247 20 30 FEEDRO C[NH+](C)CCOc1ccccc1N1CCN(C[C@@H](C#N)CCC#N)CC1 ZINC000265671716 550013252 /nfs/dbraw/zinc/01/32/52/550013252.db2.gz WPZAUOIDLPEYPD-GOSISDBHSA-N 1 0 355.486 2.193 20 30 FEEDRO C[C@@H](C1CC1)N(C(=O)CON=C(N)c1ccc(C[NH+](C)C)cc1)C1CC1 ZINC000267132658 550027817 /nfs/dbraw/zinc/02/78/17/550027817.db2.gz FBCCLFFFBDWPQQ-AWEZNQCLSA-N 1 0 358.486 2.175 20 30 FEEDRO C[NH+]=C(NCc1ccco1)NC[C@@H](c1ccc(C)s1)N1CCOCC1 ZINC000267173762 550028398 /nfs/dbraw/zinc/02/83/98/550028398.db2.gz VIQDSSADVQYKDY-INIZCTEOSA-N 1 0 362.499 2.388 20 30 FEEDRO CC(C)(C)OC(=O)N1CCN(C(=[NH2+])NCc2ncc(C(C)(C)C)o2)CC1 ZINC000267410502 550030955 /nfs/dbraw/zinc/03/09/55/550030955.db2.gz ICVKKXUOCCPASF-UHFFFAOYSA-N 1 0 365.478 2.340 20 30 FEEDRO COc1ccc([C@H](C)CCNC(=[NH2+])N2CCN(c3ncccn3)CC2)cc1 ZINC000267436162 550031526 /nfs/dbraw/zinc/03/15/26/550031526.db2.gz NVFKWXOMAQWLKD-MRXNPFEDSA-N 1 0 368.485 2.116 20 30 FEEDRO COc1ccccc1CNC(=[NH2+])NCc1cc(F)ccc1N1CCOCC1 ZINC000267437771 550031867 /nfs/dbraw/zinc/03/18/67/550031867.db2.gz OGMSXQZHDIUGFP-UHFFFAOYSA-N 1 0 372.444 2.275 20 30 FEEDRO Cc1ncc(CO)c(/C=N/CC2(C[NH+]3CCOCC3)CCCCC2)c1O ZINC000267575106 550033068 /nfs/dbraw/zinc/03/30/68/550033068.db2.gz PHXNVBFVWGABOE-CIAFOILYSA-N 1 0 361.486 2.290 20 30 FEEDRO C[C@@H]1Oc2ccc(NC(=O)N(CCC#N)CCC[NH+](C)C)cc2NC1=O ZINC000267912028 550035225 /nfs/dbraw/zinc/03/52/25/550035225.db2.gz FIEYPCABGLCMJY-ZDUSSCGKSA-N 1 0 359.430 2.105 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1c(CC)c(CC)n[nH]c1=O)C(C)C ZINC000268258213 550041399 /nfs/dbraw/zinc/04/13/99/550041399.db2.gz RZMPIXNLVQENRO-QGZVFWFLSA-N 1 0 360.502 2.323 20 30 FEEDRO C=CC[N@H+](CCC(=O)N1CCN(c2ccccn2)CC1)CCc1ccco1 ZINC000491386492 561445142 /nfs/dbraw/zinc/44/51/42/561445142.db2.gz XDJPUKKLHZGQIO-UHFFFAOYSA-N 1 0 368.481 2.444 20 30 FEEDRO C=CCc1ccc(OC[C@H](O)C[N@H+]2CC[C@](C)(C(=O)OC)C2)c(OC)c1 ZINC000268333112 550051016 /nfs/dbraw/zinc/05/10/16/550051016.db2.gz JFYBZCPWKVGYAG-UZLBHIALSA-N 1 0 363.454 2.048 20 30 FEEDRO CN(CC(=O)NCc1ccc(C#N)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000268539982 550084966 /nfs/dbraw/zinc/08/49/66/550084966.db2.gz KKBWZIQBDPJDIC-NRFANRHFSA-N 1 0 362.477 2.381 20 30 FEEDRO N#CCOc1cccc(NC(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)c1 ZINC000269196139 550166386 /nfs/dbraw/zinc/16/63/86/550166386.db2.gz NFLKCHHYGSBSMH-OALUTQOASA-N 1 0 372.469 2.478 20 30 FEEDRO C[C@H](Cn1cccn1)[NH2+]CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000269397765 550190910 /nfs/dbraw/zinc/19/09/10/550190910.db2.gz BZZSLOAUPXNGQD-CQSZACIVSA-N 1 0 364.371 2.048 20 30 FEEDRO C=C(C)[C@@H](CC(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1)OCC ZINC000270037573 550245023 /nfs/dbraw/zinc/24/50/23/550245023.db2.gz JBGZLMRFMAGIFX-QGZVFWFLSA-N 1 0 361.442 2.466 20 30 FEEDRO C=CCCOCCNC(=O)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000270253096 550256842 /nfs/dbraw/zinc/25/68/42/550256842.db2.gz PKOPAVIUAKEMKK-UHFFFAOYSA-N 1 0 373.497 2.362 20 30 FEEDRO N#Cc1csc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)c1 ZINC000270584429 550286219 /nfs/dbraw/zinc/28/62/19/550286219.db2.gz DFJXEJGOYLMXBI-IRXDYDNUSA-N 1 0 355.463 2.233 20 30 FEEDRO C[NH+](C)CCOc1cc(CNC(=O)/C=C/c2ccc(C#N)cc2)ccn1 ZINC000270708759 550299315 /nfs/dbraw/zinc/29/93/15/550299315.db2.gz ZHSZZNGROQEJOK-BQYQJAHWSA-N 1 0 350.422 2.223 20 30 FEEDRO C[NH+](C)CCOc1cc(CNC(=O)Nc2cccc(OCC#N)c2)ccn1 ZINC000270776233 550305743 /nfs/dbraw/zinc/30/57/43/550305743.db2.gz SNUXSSQPTGRESE-UHFFFAOYSA-N 1 0 369.425 2.246 20 30 FEEDRO C[C@@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1ccc2c(c1)OCCCO2 ZINC000271415226 550373542 /nfs/dbraw/zinc/37/35/42/550373542.db2.gz ARJLMGPONIZKCV-LTFJSZEESA-N 1 0 357.410 2.025 20 30 FEEDRO C=CCNC(=O)C[NH2+][C@H]1CC(=O)N(C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000494204016 561464466 /nfs/dbraw/zinc/46/44/66/561464466.db2.gz GYIOBHXXDUORAN-YJBOKZPZSA-N 1 0 367.852 2.421 20 30 FEEDRO C#Cc1cc(F)c(NC(=O)C(=O)NC[C@@H](C)C[NH+]2CCCCC2)c(F)c1 ZINC000271741520 550399031 /nfs/dbraw/zinc/39/90/31/550399031.db2.gz VZYPKYVHMHOFFC-CYBMUJFWSA-N 1 0 363.408 2.123 20 30 FEEDRO C=C(C)CN(CC)C(=O)C[NH2+][C@H](C)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000271770738 550400568 /nfs/dbraw/zinc/40/05/68/550400568.db2.gz NRJVRHKVEIUBDU-MRXNPFEDSA-N 1 0 373.497 2.419 20 30 FEEDRO C=CCN(CCc1ccco1)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000272418561 550446067 /nfs/dbraw/zinc/44/60/67/550446067.db2.gz BBUFJIPLUYLLNM-RTBURBONSA-N 1 0 361.486 2.398 20 30 FEEDRO CS[C@@H]1CN(CCC(=O)Nc2ccc(C#N)cc2)C[C@H]1[NH+]1CCCC1 ZINC000274087195 550522552 /nfs/dbraw/zinc/52/25/52/550522552.db2.gz RGLDJSNIFOLNOO-QZTJIDSGSA-N 1 0 358.511 2.398 20 30 FEEDRO C=C[C@](C)(CCOC)C(=O)NCc1ccc(OCC[NH+](C)C)c(OC)c1 ZINC000275841488 550574883 /nfs/dbraw/zinc/57/48/83/550574883.db2.gz UUYMCDYWJNXNSR-HXUWFJFHSA-N 1 0 364.486 2.481 20 30 FEEDRO C=CCN(C(=O)C(=O)Nc1ccccc1C[NH+]1CCSCC1)C1CC1 ZINC000275969201 550575374 /nfs/dbraw/zinc/57/53/74/550575374.db2.gz CZLMYALGRSNTNU-UHFFFAOYSA-N 1 0 359.495 2.351 20 30 FEEDRO CS[C@@H]1CN(C(=O)Nc2ncccc2OCCCC#N)C[C@@H]1[NH+](C)C ZINC000276120093 550577151 /nfs/dbraw/zinc/57/71/51/550577151.db2.gz WPHJZUFECQMICK-DZGCQCFKSA-N 1 0 363.487 2.273 20 30 FEEDRO C=CCCN(C)C(=O)C(=O)Nc1ccccc1CN1C[C@H](C)O[C@@H](C)C1 ZINC000276513639 550578640 /nfs/dbraw/zinc/57/86/40/550578640.db2.gz XWMJTAYJYQHCPP-HOTGVXAUSA-N 1 0 359.470 2.269 20 30 FEEDRO C#CC[NH+]1CCC(c2nc(-c3cccc(-n4c(C)c[nH]c4=O)c3)no2)CC1 ZINC000277811650 550716920 /nfs/dbraw/zinc/71/69/20/550716920.db2.gz HCJSYIKBMJFDTM-UHFFFAOYSA-N 1 0 363.421 2.337 20 30 FEEDRO N#Cc1cc(NC(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)ccc1Cl ZINC000278130056 550752574 /nfs/dbraw/zinc/75/25/74/550752574.db2.gz DLZNDUPGFDPVBF-UHFFFAOYSA-N 1 0 360.845 2.141 20 30 FEEDRO N#Cc1ccc(OC[C@H](O)C[NH+]2CCC(Oc3ncccc3F)CC2)cc1 ZINC000278257828 550766082 /nfs/dbraw/zinc/76/60/82/550766082.db2.gz IBEOYIOYMDFKNN-MRXNPFEDSA-N 1 0 371.412 2.375 20 30 FEEDRO N#CCCn1cc(C[NH2+]CCCC(=O)NC2CC2)c(-c2ccncc2)n1 ZINC000278673295 550809786 /nfs/dbraw/zinc/80/97/86/550809786.db2.gz OHMYQHAFCSEDSI-UHFFFAOYSA-N 1 0 352.442 2.007 20 30 FEEDRO C=C[C@@](C)(O)CC(=O)NCCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000278921750 550836241 /nfs/dbraw/zinc/83/62/41/550836241.db2.gz RYVCPDMKQXBZLP-OAQYLSRUSA-N 1 0 359.514 2.028 20 30 FEEDRO C=C[C@](C)(O)CC(=O)NCCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000278921747 550836391 /nfs/dbraw/zinc/83/63/91/550836391.db2.gz RYVCPDMKQXBZLP-NRFANRHFSA-N 1 0 359.514 2.028 20 30 FEEDRO COC[C@H]([NH2+][C@@H](C)C(=O)N(CCC#N)c1ccc(C)cc1)[C@H]1CCCO1 ZINC000279021448 550847553 /nfs/dbraw/zinc/84/75/53/550847553.db2.gz GUOIEAXDSNEFQD-YTQUADARSA-N 1 0 359.470 2.414 20 30 FEEDRO C[NH+](C)C1(CNC(=O)c2cc(-c3cccc(C#N)c3)no2)CCOCC1 ZINC000279027536 550848215 /nfs/dbraw/zinc/84/82/15/550848215.db2.gz MNTKUTKBSOYIQS-UHFFFAOYSA-N 1 0 354.410 2.054 20 30 FEEDRO C=CCS(=O)(=O)CC[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000280116159 550962266 /nfs/dbraw/zinc/96/22/66/550962266.db2.gz CELRRDQUSKXELK-UHFFFAOYSA-N 1 0 350.406 2.462 20 30 FEEDRO N#CCCn1cc(C[NH2+]C[C@@H](CO)[C@@H]2CCOC2)c(-c2ccccc2)n1 ZINC000280389677 550988572 /nfs/dbraw/zinc/98/85/72/550988572.db2.gz WRNSJZHHHISPMY-MJGOQNOKSA-N 1 0 354.454 2.198 20 30 FEEDRO C=CCCCNC(=O)C(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1 ZINC000280398407 550989509 /nfs/dbraw/zinc/98/95/09/550989509.db2.gz GULNFPGNTHBWQU-UHFFFAOYSA-N 1 0 372.513 2.486 20 30 FEEDRO CNC(=O)[C@@]1(C)CC[N@H+](CC(=O)N(CCC#N)c2cccc(C)c2C)C1 ZINC000280489457 550999497 /nfs/dbraw/zinc/99/94/97/550999497.db2.gz AQUDUANJAYUZLR-FQEVSTJZSA-N 1 0 356.470 2.008 20 30 FEEDRO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CC[C@@H](C(=O)N(C)c2ccccc2)C1 ZINC000280658389 551018550 /nfs/dbraw/zinc/01/85/50/551018550.db2.gz DRRLBNPDKPUDDK-UZLBHIALSA-N 1 0 356.470 2.026 20 30 FEEDRO CNC(=O)[C@]1(C)CC[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000281078319 551061051 /nfs/dbraw/zinc/06/10/51/551061051.db2.gz JAMCEPZQNKEQRC-HXUWFJFHSA-N 1 0 351.454 2.422 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000281162828 551069512 /nfs/dbraw/zinc/06/95/12/551069512.db2.gz ZVFNKKJGEJZBOC-HOJAQTOUSA-N 1 0 373.497 2.034 20 30 FEEDRO COc1cc(C[NH2+]Cc2cnc(N3CCOCC3)c(F)c2)ccc1C#N ZINC000281789991 551143518 /nfs/dbraw/zinc/14/35/18/551143518.db2.gz UJDBIBWZTNOSSH-UHFFFAOYSA-N 1 0 356.401 2.227 20 30 FEEDRO C=CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000282534306 551242898 /nfs/dbraw/zinc/24/28/98/551242898.db2.gz HMAMVXHKGAPJFO-QGZVFWFLSA-N 1 0 372.517 2.012 20 30 FEEDRO COCCn1cc(C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)cn1 ZINC000282690619 551260321 /nfs/dbraw/zinc/26/03/21/551260321.db2.gz KGBCBIKSKAGRSZ-UHFFFAOYSA-N 1 0 353.470 2.155 20 30 FEEDRO C#Cc1cc(F)c(NC(=O)C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)c(F)c1 ZINC000283208208 551329365 /nfs/dbraw/zinc/32/93/65/551329365.db2.gz IDWUQPFMQZCRTR-CQSZACIVSA-N 1 0 363.408 2.121 20 30 FEEDRO C[C@H](NC(=O)C(=O)NC1CC[NH+](C(C)(C)C)CC1)c1ccc(C#N)cc1 ZINC000283512336 551379520 /nfs/dbraw/zinc/37/95/20/551379520.db2.gz BRNBOADSWAJWOD-AWEZNQCLSA-N 1 0 356.470 2.115 20 30 FEEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)CCCn3cccn3)CC2)cc1 ZINC000497955283 561512378 /nfs/dbraw/zinc/51/23/78/561512378.db2.gz XWKRHPQMMYDXNO-UHFFFAOYSA-N 1 0 351.454 2.269 20 30 FEEDRO COc1ccc([C@@H](CNC(=O)Cn2ccnc2C#N)[NH+]2CCCCC2)cc1 ZINC000283766473 551424382 /nfs/dbraw/zinc/42/43/82/551424382.db2.gz BHUBLHMOWPJMNP-GOSISDBHSA-N 1 0 367.453 2.107 20 30 FEEDRO CC(C)[C@H](CNC(=O)C(=O)NCc1cccc(C#N)c1)[NH+]1CCC(C)CC1 ZINC000283852317 551438470 /nfs/dbraw/zinc/43/84/70/551438470.db2.gz FUBJNTBGSGSRTE-IBGZPJMESA-N 1 0 370.497 2.047 20 30 FEEDRO C[C@H](NC(=O)C(=O)NC1CC[NH+](C2CCCC2)CC1)c1ccc(C#N)cc1 ZINC000283917012 551449621 /nfs/dbraw/zinc/44/96/21/551449621.db2.gz FGFDBFBXOJIHLH-HNNXBMFYSA-N 1 0 368.481 2.259 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H](CC)c2ccccc2OCC)CC1 ZINC000283999963 551465246 /nfs/dbraw/zinc/46/52/46/551465246.db2.gz HUTTYWPYBSSWOV-GOSISDBHSA-N 1 0 373.497 2.419 20 30 FEEDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N[C@H](C)c1ccc(C#N)cc1 ZINC000284074701 551479197 /nfs/dbraw/zinc/47/91/97/551479197.db2.gz RONMEPRZHNRGFI-QAPCUYQASA-N 1 0 356.470 2.116 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N(C)[C@H](C)c1ccncc1)C(C)C ZINC000284111736 551485735 /nfs/dbraw/zinc/48/57/35/551485735.db2.gz QGTRWTCTVQATBT-IEBWSBKVSA-N 1 0 372.513 2.416 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H](C)c2cccc(OC)c2)CC1 ZINC000284134655 551489914 /nfs/dbraw/zinc/48/99/14/551489914.db2.gz OAXMTSAAORCZCC-OAHLLOKOSA-N 1 0 359.470 2.029 20 30 FEEDRO C=CCCO[C@@H](C)C(=O)NCCC[N@@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000498119890 561516378 /nfs/dbraw/zinc/51/63/78/561516378.db2.gz UNXNJMHUZZJFCB-ICSRJNTNSA-N 1 0 359.514 2.463 20 30 FEEDRO NC(=[NH+]OC[C@@H]1CCCS(=O)(=O)C1)c1ccc(N2CCCCC2)cc1 ZINC000284626152 551593422 /nfs/dbraw/zinc/59/34/22/551593422.db2.gz ZWJZSKKQUKEKHF-HNNXBMFYSA-N 1 0 365.499 2.139 20 30 FEEDRO CCS(=O)(=O)c1ccc([C@H](C)[NH2+]CC(=O)N[C@@](C)(C#N)C(C)C)cc1 ZINC000284652040 551599248 /nfs/dbraw/zinc/59/92/48/551599248.db2.gz FINRHYUSTOQDEV-KSSFIOAISA-N 1 0 365.499 2.185 20 30 FEEDRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)N(C)Cc1cccc(C#N)c1 ZINC000284817697 551641551 /nfs/dbraw/zinc/64/15/51/551641551.db2.gz XZSGTWRONQNPJQ-QGZVFWFLSA-N 1 0 370.497 2.287 20 30 FEEDRO CCC[NH+](CCC)CCCNC(=O)C(=O)N(C)Cc1cccc(C#N)c1 ZINC000285291713 551733050 /nfs/dbraw/zinc/73/30/50/551733050.db2.gz CMTBGLCSCPPYSZ-UHFFFAOYSA-N 1 0 358.486 2.145 20 30 FEEDRO CCOc1cc(C[NH2+]CCn2cnc(C#N)n2)ccc1OCC(F)(F)F ZINC000285441635 551757302 /nfs/dbraw/zinc/75/73/02/551757302.db2.gz IHYUIXIHWYHCKJ-UHFFFAOYSA-N 1 0 369.347 2.279 20 30 FEEDRO N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@](O)(C(F)(F)F)CC2)cc1 ZINC000285576423 551777344 /nfs/dbraw/zinc/77/73/44/551777344.db2.gz OCIPZLCIQLUAGH-GOEBONIOSA-N 1 0 358.360 2.077 20 30 FEEDRO C#CCCOc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3CC(=O)N(C)C)cc1 ZINC000285653418 551790071 /nfs/dbraw/zinc/79/00/71/551790071.db2.gz YMSSNNDBVUBCEA-IHWFROFDSA-N 1 0 369.509 2.262 20 30 FEEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000498958963 561539487 /nfs/dbraw/zinc/53/94/87/561539487.db2.gz OHSONDBWHAUVII-UHFFFAOYSA-N 1 0 368.481 2.065 20 30 FEEDRO N#Cc1ccc(N2CC[C@@H](C(=O)NC[C@H]3CC[N@@H+](C4CC4)C3)C2)c(F)c1 ZINC000285941240 551829865 /nfs/dbraw/zinc/82/98/65/551829865.db2.gz HXZQLZVJEQKBGX-HZPDHXFCSA-N 1 0 356.445 2.124 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[C@H](c3cccc(F)c3)C2)CC1 ZINC000286508147 551894315 /nfs/dbraw/zinc/89/43/15/551894315.db2.gz KTJZQFVEIDIBHX-QFBILLFUSA-N 1 0 373.472 2.345 20 30 FEEDRO CC[NH+]1CCC(NS(=O)(=O)c2cccc(Br)c2C#N)CC1 ZINC000286703911 551916722 /nfs/dbraw/zinc/91/67/22/551916722.db2.gz RJCUCZIQDYTXCB-UHFFFAOYSA-N 1 0 372.288 2.083 20 30 FEEDRO N#Cc1ccc(NC(=O)CC[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](CO)C2)cc1 ZINC000286729863 551919561 /nfs/dbraw/zinc/91/95/61/551919561.db2.gz XQZKZEFRSAOXHL-HIFRSBDPSA-N 1 0 355.360 2.380 20 30 FEEDRO C=CCOc1ccc(CNC(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cc1 ZINC000287071589 551959809 /nfs/dbraw/zinc/95/98/09/551959809.db2.gz VALYIWRGPWZDBL-UXHICEINSA-N 1 0 373.497 2.428 20 30 FEEDRO C=CCCCN(C)C(=O)C(=O)Nc1cccc(NC(=O)C[NH+](CC)CC)c1 ZINC000287580398 552021445 /nfs/dbraw/zinc/02/14/45/552021445.db2.gz KNGTZIDBFBYYSY-UHFFFAOYSA-N 1 0 374.485 2.330 20 30 FEEDRO CCCN(CC[NH+]1CCCCC1)C(=O)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000288122321 552095017 /nfs/dbraw/zinc/09/50/17/552095017.db2.gz NMIADXFCOKNTMC-UHFFFAOYSA-N 1 0 360.433 2.360 20 30 FEEDRO C[NH+](C)CCCOc1cnccc1CNC(=O)N1CCC(C)(C#N)CC1 ZINC000288279122 552124686 /nfs/dbraw/zinc/12/46/86/552124686.db2.gz BTWBVWWCFHVRFD-UHFFFAOYSA-N 1 0 359.474 2.247 20 30 FEEDRO C=CCOc1ccc(C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)cc1OC ZINC000499899888 561561021 /nfs/dbraw/zinc/56/10/21/561561021.db2.gz YTFCFNBRUKDZMM-QGZVFWFLSA-N 1 0 362.470 2.443 20 30 FEEDRO COC(=O)C[C@@H](C)CC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000289288808 552295469 /nfs/dbraw/zinc/29/54/69/552295469.db2.gz GXVKJYKLPOVBHH-INIZCTEOSA-N 1 0 357.454 2.182 20 30 FEEDRO CCOC(=O)c1nn(C)cc1CN(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000289919103 552399289 /nfs/dbraw/zinc/39/92/89/552399289.db2.gz VORWFDMGUGLTMA-UHFFFAOYSA-N 1 0 369.469 2.032 20 30 FEEDRO CC[N@H+](CCO)CCNC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 ZINC000289947749 552404082 /nfs/dbraw/zinc/40/40/82/552404082.db2.gz WBTSOPXRAGQDEZ-UHFFFAOYSA-N 1 0 369.425 2.181 20 30 FEEDRO C[C@@H](Oc1ccccc1C#N)C(=O)N(CC[NH+](C)C)Cc1ccccn1 ZINC000500777862 561582076 /nfs/dbraw/zinc/58/20/76/561582076.db2.gz YUVWXARMDZWWEX-MRXNPFEDSA-N 1 0 352.438 2.311 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)Nc1cc(C2CC2)n(C)n1)C(C)C ZINC000290346795 552464259 /nfs/dbraw/zinc/46/42/59/552464259.db2.gz YAGNZYSSXVDFAV-QGZVFWFLSA-N 1 0 373.501 2.051 20 30 FEEDRO CC(C)Oc1ccc(NC(=O)C(=O)N[C@H](C)C[N@H+](C)C(C)C)cc1C#N ZINC000290381833 552470170 /nfs/dbraw/zinc/47/01/70/552470170.db2.gz QXLAAILYSFQSNB-CQSZACIVSA-N 1 0 360.458 2.129 20 30 FEEDRO N#Cc1ncccc1N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000290469387 552483955 /nfs/dbraw/zinc/48/39/55/552483955.db2.gz AJCYVPRFDDXIFN-SFHVURJKSA-N 1 0 362.481 2.387 20 30 FEEDRO C=C[C@@](C)(O)CC(=O)NC1CC[NH+](CCOc2ccc(F)cc2)CC1 ZINC000290632403 552510080 /nfs/dbraw/zinc/51/00/80/552510080.db2.gz YUAJZYRUZGFRPE-LJQANCHMSA-N 1 0 350.434 2.112 20 30 FEEDRO N#CCOc1ccc(C[NH2+][C@@H]2CCCc3ccc(S(N)(=O)=O)cc32)cc1 ZINC000290739443 552529325 /nfs/dbraw/zinc/52/93/25/552529325.db2.gz PZHRVSWUDVWRBZ-LJQANCHMSA-N 1 0 371.462 2.404 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H](C)c2noc(COC(C)C)n2)CC1 ZINC000290759164 552533675 /nfs/dbraw/zinc/53/36/75/552533675.db2.gz PUJRFXMSBDQMKT-ZDUSSCGKSA-N 1 0 351.451 2.005 20 30 FEEDRO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@@H](C)c1ccc(N2CCCNC2=O)cc1 ZINC000291297806 552612046 /nfs/dbraw/zinc/61/20/46/552612046.db2.gz RUINJCKYRYHJCB-HOTGVXAUSA-N 1 0 371.485 2.265 20 30 FEEDRO C[C@@H]([NH2+]CC(=O)N[C@@](C)(C#N)C1CC1)c1ccc(N2CCCNC2=O)cc1 ZINC000291363548 552618914 /nfs/dbraw/zinc/61/89/14/552618914.db2.gz ZCHQLMPPFHDENG-VLIAUNLRSA-N 1 0 369.469 2.065 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N(Cc2ccccc2)C(C)(C)C(=O)OC)CC1 ZINC000291956893 552678696 /nfs/dbraw/zinc/67/86/96/552678696.db2.gz DBNLCHMYUFIYTK-UHFFFAOYSA-N 1 0 356.466 2.312 20 30 FEEDRO N#Cc1ccc(O[C@H]2CC[N@@H+](C[C@@H]3CN(c4ccccc4)C(=O)O3)C2)nc1 ZINC000292156202 552699289 /nfs/dbraw/zinc/69/92/89/552699289.db2.gz KNTHFQMIPCJQBO-ZWKOTPCHSA-N 1 0 364.405 2.432 20 30 FEEDRO N#Cc1ccc(O[C@@H]2CC[N@@H+](C[C@H]3CN(c4ccccc4)C(=O)O3)C2)nc1 ZINC000292156194 552699300 /nfs/dbraw/zinc/69/93/00/552699300.db2.gz KNTHFQMIPCJQBO-MSOLQXFVSA-N 1 0 364.405 2.432 20 30 FEEDRO O=C(NCC[NH2+][C@@H](C[C@@H]1CCOC1)c1ccc(F)cc1)C1N=CC=CC1=O ZINC000292224014 552706181 /nfs/dbraw/zinc/70/61/81/552706181.db2.gz QRYUZXXWRLNSTP-HTZASDLASA-N 1 0 373.428 2.409 20 30 FEEDRO Cc1c(-c2cc(C[N@@H+]3CC[C@H](Oc4ccc(C#N)cn4)C3)on2)cnn1C ZINC000292383134 552721665 /nfs/dbraw/zinc/72/16/65/552721665.db2.gz ZGXQZOIQURLCBB-HNNXBMFYSA-N 1 0 364.409 2.304 20 30 FEEDRO C[C@@H]1CN(C(=O)C(C)(C)C)C[C@H](C)N1C[C@H](O)COc1ccc(C#N)cc1 ZINC000292432462 552726213 /nfs/dbraw/zinc/72/62/13/552726213.db2.gz WEZIAUWSSIVJRH-JZXOWHBKSA-N 1 0 373.497 2.265 20 30 FEEDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2cc(C#N)cc(N(C)C)c2)[C@H](C)C1 ZINC000292839252 552763632 /nfs/dbraw/zinc/76/36/32/552763632.db2.gz VOUBALNFMMGKFW-UZLBHIALSA-N 1 0 372.513 2.491 20 30 FEEDRO C=CCC[C@H](O)C[N@@H+](CC)C[C@H](O)COc1ccc(CCOC)cc1 ZINC000292916187 552770858 /nfs/dbraw/zinc/77/08/58/552770858.db2.gz HTWOMLAVGRYYBL-OALUTQOASA-N 1 0 351.487 2.264 20 30 FEEDRO N#CCCN(CCC#N)C(=O)CN1CC[C@H](Oc2ccc(Cl)cc2)C1 ZINC000293094389 552788209 /nfs/dbraw/zinc/78/82/09/552788209.db2.gz PRRBMCHHRPFBIV-KRWDZBQOSA-N 1 0 360.845 2.449 20 30 FEEDRO C=CCOCC[N@H+](C[C@H](O)COc1ccc(NC(C)=O)cc1)C(C)C ZINC000293114874 552790180 /nfs/dbraw/zinc/79/01/80/552790180.db2.gz OUFSHAYBJZXFBE-SFHVURJKSA-N 1 0 350.459 2.298 20 30 FEEDRO CC(C)OCC[NH+]1CCC(NC(=O)c2cc(C#N)cc(N(C)C)c2)CC1 ZINC000293179849 552796431 /nfs/dbraw/zinc/79/64/31/552796431.db2.gz JXHOMHPDOJAONR-UHFFFAOYSA-N 1 0 358.486 2.243 20 30 FEEDRO C[N@@H+]1CCC[C@]2(CCN(C(=O)C(=O)Nc3ccc(C#N)c(Cl)c3)C2)C1 ZINC000293361649 552815399 /nfs/dbraw/zinc/81/53/99/552815399.db2.gz MDHIJEFYEQEWSV-SFHVURJKSA-N 1 0 360.845 2.094 20 30 FEEDRO CCNC(=O)[C@@H]([NH2+]CC(=O)N(CCC#N)c1ccc(C)c(C)c1)C(C)C ZINC000293378170 552817350 /nfs/dbraw/zinc/81/73/50/552817350.db2.gz VTXBEQFNYXLBHJ-IBGZPJMESA-N 1 0 358.486 2.300 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cccnc1-c1ccc(C)s1 ZINC000293425052 552822367 /nfs/dbraw/zinc/82/23/67/552822367.db2.gz QHYAKSAZVGNBOF-UHFFFAOYSA-N 1 0 370.478 2.128 20 30 FEEDRO N#Cc1cccc(OCCCCC(=O)N[C@H](CO)C[NH+]2CCCCC2)c1 ZINC000293572155 552836687 /nfs/dbraw/zinc/83/66/87/552836687.db2.gz JBWUKCXFTPTTBM-SFHVURJKSA-N 1 0 359.470 2.070 20 30 FEEDRO COc1cc(C#N)ccc1OCC(=O)N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC000293604430 552839579 /nfs/dbraw/zinc/83/95/79/552839579.db2.gz DEIUYZTVKSTKKA-HNNXBMFYSA-N 1 0 357.454 2.278 20 30 FEEDRO CC[NH+](CC)CCSCC(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000293683358 552846943 /nfs/dbraw/zinc/84/69/43/552846943.db2.gz JMYWCVRFEQPYGU-MRXNPFEDSA-N 1 0 362.499 2.008 20 30 FEEDRO C=CCOc1ccc(C[N@@H+]2CCC[C@@H](n3cc(CO)nn3)C2)cc1OC ZINC000293717549 552849986 /nfs/dbraw/zinc/84/99/86/552849986.db2.gz SXHIYANXBBRCRX-QGZVFWFLSA-N 1 0 358.442 2.181 20 30 FEEDRO CCc1ccc(C#CC(=O)N2CCC(C[NH+]3CCN(C)CC3)CC2)cc1 ZINC000293783309 552856317 /nfs/dbraw/zinc/85/63/17/552856317.db2.gz ZNUWMSPGBMWELS-UHFFFAOYSA-N 1 0 353.510 2.087 20 30 FEEDRO C#CC[N@@H+](C)CCCNC(=O)c1ccc(NC(=O)N(C)C)cc1Cl ZINC000294055234 552878420 /nfs/dbraw/zinc/87/84/20/552878420.db2.gz UPKUSJYDRLOPII-UHFFFAOYSA-N 1 0 350.850 2.118 20 30 FEEDRO CCC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)Cc2ccc(F)cc2C#N)C1 ZINC000294169335 552887315 /nfs/dbraw/zinc/88/73/15/552887315.db2.gz JBRVRPQVOARLBB-AWEZNQCLSA-N 1 0 353.463 2.191 20 30 FEEDRO C[C@@H](CNS(=O)(=O)Cc1ccc(F)cc1C#N)[N@@H+]1CCC[C@@H](C)C1 ZINC000294338685 552898128 /nfs/dbraw/zinc/89/81/28/552898128.db2.gz JRMVCEVEORUYQX-KGLIPLIRSA-N 1 0 353.463 2.237 20 30 FEEDRO COCC[N@@H+]1CCCN(C(=O)c2ccc(Br)cc2C#N)CC1 ZINC000294432675 552905771 /nfs/dbraw/zinc/90/57/71/552905771.db2.gz GMOOUEAZWPFANR-UHFFFAOYSA-N 1 0 366.259 2.115 20 30 FEEDRO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)[C@@]2(C#N)CC23CCCC3)c1 ZINC000294576420 552917180 /nfs/dbraw/zinc/91/71/80/552917180.db2.gz MCJLZIRRRUKPSA-NRFANRHFSA-N 1 0 368.481 2.068 20 30 FEEDRO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1C[C@H](c2cnn(C)c2)C2(C1)CCOCC2 ZINC000295133286 552962154 /nfs/dbraw/zinc/96/21/54/552962154.db2.gz LHKGWPKEMRIQMG-IEBWSBKVSA-N 1 0 372.513 2.205 20 30 FEEDRO C[C@@H](CCNS(=O)(=O)Cc1ccc(F)cc1C#N)[NH+]1CCCCC1 ZINC000295214715 552970572 /nfs/dbraw/zinc/97/05/72/552970572.db2.gz XBKIITAUBUSCBX-AWEZNQCLSA-N 1 0 353.463 2.381 20 30 FEEDRO C[C@@H]1C[C@@H](C(F)(F)F)CCN1CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000295228370 552972582 /nfs/dbraw/zinc/97/25/82/552972582.db2.gz YTFIIJAETLPHKG-YPMHNXCESA-N 1 0 361.389 2.390 20 30 FEEDRO CCn1cc([C@H](C)NCC(=O)Nc2c(C#N)cnn2-c2ccccc2)cn1 ZINC000296237886 553127852 /nfs/dbraw/zinc/12/78/52/553127852.db2.gz WWPBEERCTHZHHI-AWEZNQCLSA-N 1 0 363.425 2.250 20 30 FEEDRO C#CC[N@@H+](C)CCCNC(=O)N[C@@H](C)c1nc(-c2cccc(OC)c2)no1 ZINC000296280263 553134299 /nfs/dbraw/zinc/13/42/99/553134299.db2.gz BRLGDINQRDHRCX-AWEZNQCLSA-N 1 0 371.441 2.061 20 30 FEEDRO COCCN(Cc1ccc(C#N)cc1)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000296932347 553231519 /nfs/dbraw/zinc/23/15/19/553231519.db2.gz GLLWVSDYWBPCCX-YQQQUEKLSA-N 1 0 356.470 2.341 20 30 FEEDRO COc1ccc([C@@H]2CCN(C(=O)c3ccc(C#N)c(C)n3)C[C@H]2[NH3+])cc1F ZINC000297263104 553270761 /nfs/dbraw/zinc/27/07/61/553270761.db2.gz RVBKZRATIZXZFL-DOTOQJQBSA-N 1 0 368.412 2.366 20 30 FEEDRO CC1(C)OCC[C@H]1NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000297895938 553354104 /nfs/dbraw/zinc/35/41/04/553354104.db2.gz SAAPLZWAFGNPDK-GOSISDBHSA-N 1 0 356.470 2.343 20 30 FEEDRO CCO[C@@H]1C[C@H]([NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)[C@@H]1SC ZINC000298130422 553388134 /nfs/dbraw/zinc/38/81/34/553388134.db2.gz PYDMVCNPCBDTKE-FJIDUMEYSA-N 1 0 359.495 2.158 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH+]1CCC2(CC1)OCCO2 ZINC000298278153 553407095 /nfs/dbraw/zinc/40/70/95/553407095.db2.gz AXXSSMXKRGHPGV-HNNXBMFYSA-N 1 0 350.484 2.490 20 30 FEEDRO N#Cc1cccc(CS(=O)(=O)NCCC[N@@H+]2CCc3ccccc3C2)c1 ZINC000298395410 553420307 /nfs/dbraw/zinc/42/03/07/553420307.db2.gz FQTLAVAPLMBNOR-UHFFFAOYSA-N 1 0 369.490 2.426 20 30 FEEDRO N#CC[C@@H]1CC[C@H](NC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)C1 ZINC000298542334 553438113 /nfs/dbraw/zinc/43/81/13/553438113.db2.gz WPHWWVSDBMMQJZ-LPHOPBHVSA-N 1 0 351.454 2.468 20 30 FEEDRO C[C@H](C#N)CN(C)C(=O)NCCC[N@@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000298654556 553454705 /nfs/dbraw/zinc/45/47/05/553454705.db2.gz CRWKTQIVEKXFFZ-MJGOQNOKSA-N 1 0 357.502 2.166 20 30 FEEDRO Cc1n[nH]cc1CNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000298697355 553459925 /nfs/dbraw/zinc/45/99/25/553459925.db2.gz QUJNHABOWOVOBC-UHFFFAOYSA-N 1 0 352.442 2.007 20 30 FEEDRO C[NH+](C)CC1CCC(NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)CC1 ZINC000503610595 561645379 /nfs/dbraw/zinc/64/53/79/561645379.db2.gz GUTUWFWTHOBNOC-ZOJXTTQQSA-N 1 0 351.491 2.485 20 30 FEEDRO C=CCN(CCc1ccccc1)C(=O)C(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000298895899 553486562 /nfs/dbraw/zinc/48/65/62/553486562.db2.gz BEAVTCJVFPXXEV-UHFFFAOYSA-N 1 0 371.525 2.434 20 30 FEEDRO C[C@@H](CNC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1)[NH+](C)C ZINC000299165490 553523971 /nfs/dbraw/zinc/52/39/71/553523971.db2.gz FPBHSLZBALJRRE-AWEZNQCLSA-N 1 0 366.421 2.355 20 30 FEEDRO C#CCN(Cc1ccc(F)cc1)C(=O)NC[C@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000299347901 553551501 /nfs/dbraw/zinc/55/15/01/553551501.db2.gz GWYJREFZJUAUFI-HXUWFJFHSA-N 1 0 374.504 2.243 20 30 FEEDRO CC(C)CNC(=O)[C@@H](C)[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000299587652 553585348 /nfs/dbraw/zinc/58/53/48/553585348.db2.gz CUQCZQAMPKJGOI-OAHLLOKOSA-N 1 0 356.470 2.369 20 30 FEEDRO C[C@@H]1CCC[N@H+](CCCCNc2ccc(S(N)(=O)=O)cc2C#N)C1 ZINC000301388731 553647877 /nfs/dbraw/zinc/64/78/77/553647877.db2.gz YRFVGOZTGZYNBD-CQSZACIVSA-N 1 0 350.488 2.130 20 30 FEEDRO N#Cc1cc(N2CC[NH+](C3CCOCC3)CC2)nc2ccc([N+](=O)[O-])cc12 ZINC000301459970 553653323 /nfs/dbraw/zinc/65/33/23/553653323.db2.gz DFRARYMUYVRSQT-UHFFFAOYSA-N 1 0 367.409 2.316 20 30 FEEDRO CCc1nnc(N2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)c(C#N)c1CC ZINC000301615800 553666205 /nfs/dbraw/zinc/66/62/05/553666205.db2.gz JGWOZMSNPSTTRU-IAGOWNOFSA-N 1 0 370.545 2.468 20 30 FEEDRO COc1ccc(C#N)cc1NC(=O)C(=O)N(C)CC[NH+](C(C)C)C(C)C ZINC000505288441 561669224 /nfs/dbraw/zinc/66/92/24/561669224.db2.gz WHKPMMSXOBEROO-UHFFFAOYSA-N 1 0 360.458 2.083 20 30 FEEDRO Cc1ccc(N2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)nc1C#N ZINC000302669689 553725173 /nfs/dbraw/zinc/72/51/73/553725173.db2.gz QZSPCNBZXLCQPW-UHFFFAOYSA-N 1 0 357.502 2.182 20 30 FEEDRO Cc1cccc(OC[C@@H](O)CNC(=[NH2+])N[C@H]2CCOc3ccccc32)c1 ZINC000304518031 553747729 /nfs/dbraw/zinc/74/77/29/553747729.db2.gz WKKZVJNZXLZEKK-YJBOKZPZSA-N 1 0 355.438 2.163 20 30 FEEDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N1CCS(=O)(=O)[C@@H]2CCCC[C@H]21 ZINC000328616505 553796952 /nfs/dbraw/zinc/79/69/52/553796952.db2.gz SOFYBJOAIMOYOW-BRWVUGGUSA-N 1 0 371.547 2.207 20 30 FEEDRO O=C(N[C@H]1CCN(Cc2ccccc2)C1=O)NC1CC[NH+](CC2CC2)CC1 ZINC000328753056 553817093 /nfs/dbraw/zinc/81/70/93/553817093.db2.gz RTHDJAQBICOZPA-IBGZPJMESA-N 1 0 370.497 2.166 20 30 FEEDRO C[C@@H]1CN(C(=O)Nc2ccc3nc(N4CCOCC4)oc3c2)C[C@H]1[NH+](C)C ZINC000328799711 553824053 /nfs/dbraw/zinc/82/40/53/553824053.db2.gz HMGWEUZRLVVVTB-CZUORRHYSA-N 1 0 373.457 2.092 20 30 FEEDRO Cc1nc([C@@H]2CCCOC2)sc1C(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000328828194 553828955 /nfs/dbraw/zinc/82/89/55/553828955.db2.gz SXSNJECGRKXYHO-DZGCQCFKSA-N 1 0 366.531 2.286 20 30 FEEDRO O=C(CN1CCC[C@@H]1[C@@H]1COCC[C@H]1O)Nc1nc2c(s1)CCC2 ZINC000328835698 553830154 /nfs/dbraw/zinc/83/01/54/553830154.db2.gz SJJHTLLDIKOBCE-IACUBPJLSA-N 1 0 351.472 2.082 20 30 FEEDRO CC(=O)N1CC[C@@H](C[N@@H+](C)CC(=O)Nc2ccc3c(c2)OCCCO3)C1 ZINC000328860013 553834526 /nfs/dbraw/zinc/83/45/26/553834526.db2.gz VDHYSOSWCCCWDX-HNNXBMFYSA-N 1 0 361.442 2.236 20 30 FEEDRO CC[NH+]1CCC(NC(=O)N2CCC(CC(=O)N3CCCC3)CC2)CC1 ZINC000328876776 553837406 /nfs/dbraw/zinc/83/74/06/553837406.db2.gz STQQVURNTKWEBG-UHFFFAOYSA-N 1 0 350.507 2.109 20 30 FEEDRO CC[NH+]1CCC(NC(=O)[C@H]2CCCN2C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000328963250 553854530 /nfs/dbraw/zinc/85/45/30/553854530.db2.gz LJFYSZCZNKUWAS-MRXNPFEDSA-N 1 0 373.453 2.461 20 30 FEEDRO CO[C@@H]1C[C@@H](CO)N(C(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)C1 ZINC000328986727 553858966 /nfs/dbraw/zinc/85/89/66/553858966.db2.gz DQUYWAWBCFWRTD-ZGUYJTEBSA-N 1 0 353.507 2.025 20 30 FEEDRO CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000329013882 553864694 /nfs/dbraw/zinc/86/46/94/553864694.db2.gz FOLCMVHDYKQDKL-SJORKVTESA-N 1 0 366.506 2.090 20 30 FEEDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1CC(=O)NCc1ccc(C(=O)N2CCCC2)cc1 ZINC000329024038 553866455 /nfs/dbraw/zinc/86/64/55/553866455.db2.gz URLGBEDCGFAVKJ-IAGOWNOFSA-N 1 0 372.513 2.404 20 30 FEEDRO CC(C)n1nccc1[C@H]1OCC[C@@H]1NC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000329033853 553868447 /nfs/dbraw/zinc/86/84/47/553868447.db2.gz MEGZVTRBWHJFBN-CVYDXHPNSA-N 1 0 361.490 2.424 20 30 FEEDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)N1CCC[C@H]1Cn1cc(C2CC2)nn1 ZINC000329037392 553869066 /nfs/dbraw/zinc/86/90/66/553869066.db2.gz NGRHFYOPKFGROX-LZLYRXPVSA-N 1 0 358.490 2.161 20 30 FEEDRO C[C@H](CNC(=O)N1CCC[C@@H]1[C@@H]1COCC[C@@]1(C)O)[N@@H+]1CCC[C@@H](C)C1 ZINC000329036993 553869088 /nfs/dbraw/zinc/86/90/88/553869088.db2.gz NDWPWGYFDFAHMT-BFMVXSJESA-N 1 0 367.534 2.273 20 30 FEEDRO C[NH+](C)[C@H](CNC(=O)N1CCOC[C@@H]1[C@@H]1CCC[C@H]1O)C1CCCCC1 ZINC000329038840 553869747 /nfs/dbraw/zinc/86/97/47/553869747.db2.gz NTECECIQZKICSN-WJFTUGDTSA-N 1 0 367.534 2.273 20 30 FEEDRO O=C(CN1C[C@@H](F)C[C@H]1CO)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000329043352 553870330 /nfs/dbraw/zinc/87/03/30/553870330.db2.gz OYMABAVBDIACRV-RDJZCZTQSA-N 1 0 367.490 2.228 20 30 FEEDRO C[NH+]1CCC2(CCCN2C(=O)Nc2cccc(CS(C)(=O)=O)c2)CC1 ZINC000329051025 553872042 /nfs/dbraw/zinc/87/20/42/553872042.db2.gz HCUMNHOVOMGZOP-UHFFFAOYSA-N 1 0 365.499 2.337 20 30 FEEDRO C[C@H](CNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)[NH+]1CCC(C)CC1 ZINC000506108595 561690554 /nfs/dbraw/zinc/69/05/54/561690554.db2.gz JUYPKIVNIHLHOG-DNVCBOLYSA-N 1 0 351.491 2.485 20 30 FEEDRO COCC[N@@H+]1CC[C@H](NC(=O)N2CCC[C@@H]2[C@@H]2CCCC[C@]2(C)O)C1 ZINC000329084656 553877455 /nfs/dbraw/zinc/87/74/55/553877455.db2.gz TXBGTVQEVRAJDY-BMFAXAFESA-N 1 0 353.507 2.027 20 30 FEEDRO Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CCC[C@H]3C(C)(C)C)CC2)o1 ZINC000329111927 553882584 /nfs/dbraw/zinc/88/25/84/553882584.db2.gz RDDOPQRTFKDAGB-INIZCTEOSA-N 1 0 359.474 2.014 20 30 FEEDRO CN1CCOC[C@H]1C(=O)Nc1ccccc1C[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000329131676 553886401 /nfs/dbraw/zinc/88/64/01/553886401.db2.gz OXKZILDVQOPEHC-WBVHZDCISA-N 1 0 360.458 2.352 20 30 FEEDRO C[C@@H]1CN(CC(=O)Nc2nc(CN3CCCC3)cs2)C[C@@H]1[NH+](C)C ZINC000329132566 553886530 /nfs/dbraw/zinc/88/65/30/553886530.db2.gz ATKYIGKTOVONHL-HIFRSBDPSA-N 1 0 351.520 2.209 20 30 FEEDRO Cc1nn(C)c(C)c1NC(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000329138939 553887211 /nfs/dbraw/zinc/88/72/11/553887211.db2.gz IORDYOMCYUGNJE-GASCZTMLSA-N 1 0 362.522 2.073 20 30 FEEDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)C1 ZINC000506208680 561693271 /nfs/dbraw/zinc/69/32/71/561693271.db2.gz IUGCDQZFIJFYIT-KXBFYZLASA-N 1 0 351.491 2.485 20 30 FEEDRO C[NH+](C)C1(CNC(=O)N[C@@H]2CC(=O)N(C3CCCCC3)C2)CCCC1 ZINC000329137234 553887583 /nfs/dbraw/zinc/88/75/83/553887583.db2.gz HLZXRBDQCREVSA-OAHLLOKOSA-N 1 0 350.507 2.298 20 30 FEEDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CCC[C@@H]1[C@@H]1COCC[C@]1(C)O ZINC000329143914 553888368 /nfs/dbraw/zinc/88/83/68/553888368.db2.gz VWKLXFWMSXKCOX-QTVCLEQKSA-N 1 0 367.534 2.273 20 30 FEEDRO CC1CC[NH+](CCNC(=O)N[C@@H]2CC(=O)N(C3CCCCC3)C2)CC1 ZINC000329155194 553890765 /nfs/dbraw/zinc/89/07/65/553890765.db2.gz VBRQVUVVVYHTNE-MRXNPFEDSA-N 1 0 350.507 2.156 20 30 FEEDRO CCOc1ccc(CC(=O)NC2CC[NH+]([C@H]3CCN(C)C3=O)CC2)cc1 ZINC000329155097 553890881 /nfs/dbraw/zinc/89/08/81/553890881.db2.gz CHSNKEWREYBVRF-SFHVURJKSA-N 1 0 359.470 2.279 20 30 FEEDRO C[NH+]1CCC2(CCCN2C(=O)N[C@H]2CC(=O)N(C3CCCCC3)C2)CC1 ZINC000329166304 553893469 /nfs/dbraw/zinc/89/34/69/553893469.db2.gz HWRHKHKPNINQJQ-INIZCTEOSA-N 1 0 362.518 2.394 20 30 FEEDRO CN(C)[C@H](C(=O)NCC1([NH+]2CCCCC2)CCOCC1)c1cncn1C ZINC000329180386 553896492 /nfs/dbraw/zinc/89/64/92/553896492.db2.gz DJYXCVYGEPOMJH-KRWDZBQOSA-N 1 0 363.506 2.014 20 30 FEEDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H]1CC(=O)N(C2CCCCC2)C1 ZINC000329190909 553898810 /nfs/dbraw/zinc/89/88/10/553898810.db2.gz RZJKXHINWOPMPM-NXHRZFHOSA-N 1 0 362.518 2.393 20 30 FEEDRO CCC1CCC([N@H+](C)CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)CC1 ZINC000329203793 553901651 /nfs/dbraw/zinc/90/16/51/553901651.db2.gz XJSOUWUBFHOXHQ-UHFFFAOYSA-N 1 0 373.501 2.404 20 30 FEEDRO CC(C)N1C(=O)C[C@@H](NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)C1=O ZINC000329205661 553902169 /nfs/dbraw/zinc/90/21/69/553902169.db2.gz XWUJVLJFJFXQMZ-DJIMGWMZSA-N 1 0 357.454 2.247 20 30 FEEDRO C[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)c1ncccc1F ZINC000329222834 553905898 /nfs/dbraw/zinc/90/58/98/553905898.db2.gz XAJAEBLUFAHKLD-AVOUXACISA-N 1 0 362.449 2.364 20 30 FEEDRO CCn1ccnc1[C@H]1OCC[C@@H]1NC(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000329243856 553909867 /nfs/dbraw/zinc/90/98/67/553909867.db2.gz TYRDYQMZQOPTMT-ULQDDVLXSA-N 1 0 361.490 2.207 20 30 FEEDRO O=C(NCC1CCSCC1)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000329257653 553912179 /nfs/dbraw/zinc/91/21/79/553912179.db2.gz CBJKNOGRLXJCGK-SJORKVTESA-N 1 0 355.548 2.401 20 30 FEEDRO CN(C(=O)CNC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21)C1CCCCC1 ZINC000329262551 553913647 /nfs/dbraw/zinc/91/36/47/553913647.db2.gz DFMPZDKAPBVRPZ-NVXWUHKLSA-N 1 0 350.507 2.108 20 30 FEEDRO CN(C(=O)CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C1CCCCC1 ZINC000329283491 553917283 /nfs/dbraw/zinc/91/72/83/553917283.db2.gz NKTPRGXIWWYATH-ZXFUBFMLSA-N 1 0 350.507 2.296 20 30 FEEDRO Cc1ccc(N2CCC[C@H](NC(=O)N3CCC[C@@H]4C[N@H+](C)CC[C@@H]43)C2)nn1 ZINC000329290966 553918979 /nfs/dbraw/zinc/91/89/79/553918979.db2.gz QOKIZAAFJZFHOT-SQNIBIBYSA-N 1 0 372.517 2.084 20 30 FEEDRO Cc1ccc(N2CCC[C@H](NC(=O)N3CCC[C@@H]4C[N@H+](C)CC[C@H]43)C2)nn1 ZINC000329290964 553919150 /nfs/dbraw/zinc/91/91/50/553919150.db2.gz QOKIZAAFJZFHOT-FGTMMUONSA-N 1 0 372.517 2.084 20 30 FEEDRO CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)N[C@@H]2C[C@](C)(OC)C2(C)C)C1 ZINC000329298789 553920315 /nfs/dbraw/zinc/92/03/15/553920315.db2.gz UUYIJBHAPKKTSC-GGXPGOJBSA-N 1 0 353.507 2.289 20 30 FEEDRO CC[C@@H]1CN(C(=O)N[C@H](c2nccn2C)C2CCOCC2)CCCO1 ZINC000329319634 553924721 /nfs/dbraw/zinc/92/47/21/553924721.db2.gz IQKMBCGKKTXYTM-CVEARBPZSA-N 1 0 350.463 2.303 20 30 FEEDRO CC(C)[N@@H+]1CCCN(C(=O)N[C@@H](c2nccn2C)C2CCOCC2)CC1 ZINC000329336622 553927462 /nfs/dbraw/zinc/92/74/62/553927462.db2.gz LWORZLRRPMXUQQ-QGZVFWFLSA-N 1 0 363.506 2.218 20 30 FEEDRO C[C@H](NC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)[C@@H]1CCCOC1 ZINC000329384102 553935451 /nfs/dbraw/zinc/93/54/51/553935451.db2.gz PDMIIWSYULHRTH-IDCNUPLLSA-N 1 0 353.507 2.073 20 30 FEEDRO CN(C(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC000329426966 553944693 /nfs/dbraw/zinc/94/46/93/553944693.db2.gz GPWZDVQQAQDFRB-IEBWSBKVSA-N 1 0 370.497 2.497 20 30 FEEDRO Cc1ccc(-n2cnnn2)cc1NC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000329440634 553947029 /nfs/dbraw/zinc/94/70/29/553947029.db2.gz MXKMDKDITUZRDD-INIZCTEOSA-N 1 0 369.473 2.467 20 30 FEEDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)Nc1ccc2c(c1)C(=O)N(C)CC2 ZINC000329455200 553950123 /nfs/dbraw/zinc/95/01/23/553950123.db2.gz OCZGHAGBXFIJAG-YOEHRIQHSA-N 1 0 356.470 2.419 20 30 FEEDRO Cc1noc([C@@H]2CC[C@H](CNC(=O)N3C[C@H]([NH+]4CCCC4)C[C@H]3C)O2)n1 ZINC000329474336 553953042 /nfs/dbraw/zinc/95/30/42/553953042.db2.gz NNHBTUAXHNHMHR-MIGQKNRLSA-N 1 0 363.462 2.071 20 30 FEEDRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)C1 ZINC000506703286 561706452 /nfs/dbraw/zinc/70/64/52/561706452.db2.gz RXSXFXXBCXRGDS-UZLBHIALSA-N 1 0 363.502 2.438 20 30 FEEDRO C[C@@H]1CN(C(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2ccnn2C)CC(C)(C)O1 ZINC000329483620 553954972 /nfs/dbraw/zinc/95/49/72/553954972.db2.gz QGBUOCOFTGUYPL-HLLBOEOZSA-N 1 0 363.506 2.216 20 30 FEEDRO Cc1cc(N2CCC[C@H](NC(=O)N3C[C@H]([NH+]4CCCC4)C[C@@H]3C)C2)n(C)n1 ZINC000329534393 553963348 /nfs/dbraw/zinc/96/33/48/553963348.db2.gz YRGXBKMGDXRCGK-OKZBNKHCSA-N 1 0 374.533 2.170 20 30 FEEDRO O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)N1CCCC[C@@H]1c1cc[nH]n1 ZINC000329537628 553963752 /nfs/dbraw/zinc/96/37/52/553963752.db2.gz MFMSWGKSXPEGQM-KURKYZTESA-N 1 0 361.490 2.229 20 30 FEEDRO CC1(C)CN(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)[C@@H]1[C@H]1CCCO1 ZINC000329540697 553964583 /nfs/dbraw/zinc/96/45/83/553964583.db2.gz DAYNFCXJEFDTGC-CGTJXYLNSA-N 1 0 365.518 2.291 20 30 FEEDRO COCC[N@@H+]1CC[C@H](NC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCO3)C1 ZINC000329586233 553972001 /nfs/dbraw/zinc/97/20/01/553972001.db2.gz MLXNWFKXLQVUAU-JKSUJKDBSA-N 1 0 361.442 2.187 20 30 FEEDRO Cc1cc(N2CCC(NC(=O)N3CCOCC4(CCC4)C3)CC2)nc(C)n1 ZINC000329599160 553974209 /nfs/dbraw/zinc/97/42/09/553974209.db2.gz WQBKMEYEHDEZCT-UHFFFAOYSA-N 1 0 373.501 2.479 20 30 FEEDRO C[C@@H]1C[C@@H](NC(=O)CSCc2cc(=O)n3ccsc3n2)CC[N@@H+]1C ZINC000329645637 553981263 /nfs/dbraw/zinc/98/12/63/553981263.db2.gz DKDALMUFCPGZAD-NEPJUHHUSA-N 1 0 366.512 2.428 20 30 FEEDRO C[C@@H]1[C@H](C)N(C(=O)Nc2cccc(OCC(=O)N3CCCC3)c2)CC[N@H+]1C ZINC000329669034 553984965 /nfs/dbraw/zinc/98/49/65/553984965.db2.gz MCUOKZPMHILBIU-CVEARBPZSA-N 1 0 374.485 2.258 20 30 FEEDRO C[NH+](C)[C@@H]1CCCN(C(=O)NC[C@H]2CC[C@@H](c3nc(C4CC4)no3)O2)C1 ZINC000329701908 553991879 /nfs/dbraw/zinc/99/18/79/553991879.db2.gz HQWGXEMYXBSOOI-KFWWJZLASA-N 1 0 363.462 2.107 20 30 FEEDRO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCc1ccc(C(=O)N2CCN(C)CC2)cc1 ZINC000329758190 554001191 /nfs/dbraw/zinc/00/11/91/554001191.db2.gz ZVLMWEYXEZFJDL-CALCHBBNSA-N 1 0 372.513 2.404 20 30 FEEDRO O=C(NCC1(C[NH+]2CCOCC2)CCCCC1)c1cnn2ncccc12 ZINC000329793563 554006801 /nfs/dbraw/zinc/00/68/01/554006801.db2.gz FTVLEGGQNFUUAR-UHFFFAOYSA-N 1 0 357.458 2.317 20 30 FEEDRO CCc1ccc(C(=O)N2CCN(C(=O)N[C@@H]3CC[N@H+](C)[C@@H](C)C3)CC2)cc1 ZINC000329824010 554013133 /nfs/dbraw/zinc/01/31/33/554013133.db2.gz ZTVHAOZYVQKTFE-QFBILLFUSA-N 1 0 372.513 2.404 20 30 FEEDRO O=C(NC1CCCCC1)N1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC000329863859 554020956 /nfs/dbraw/zinc/02/09/56/554020956.db2.gz ZKZPELFFKDZGSX-GOSISDBHSA-N 1 0 362.518 2.252 20 30 FEEDRO CC(=O)N[C@H](CC1CCC1)C(=O)N1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000329894602 554026266 /nfs/dbraw/zinc/02/62/66/554026266.db2.gz KAMVDBHBQRNTEL-RDTXWAMCSA-N 1 0 351.491 2.233 20 30 FEEDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1cnn(C)c1C ZINC000329918230 554031446 /nfs/dbraw/zinc/03/14/46/554031446.db2.gz ZRYDIMLODUMUPF-IIDMSEBBSA-N 1 0 361.490 2.079 20 30 FEEDRO O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)[C@H]1COCC(=O)N1Cc1ccccc1 ZINC000329934830 554035082 /nfs/dbraw/zinc/03/50/82/554035082.db2.gz CDYUUEYHPMVKLN-RTBURBONSA-N 1 0 371.481 2.387 20 30 FEEDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000329946563 554036610 /nfs/dbraw/zinc/03/66/10/554036610.db2.gz GNASSQSRDCMQGZ-APWZRJJASA-N 1 0 353.507 2.435 20 30 FEEDRO O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)c1coc(C2CCOCC2)n1 ZINC000329957276 554038880 /nfs/dbraw/zinc/03/88/80/554038880.db2.gz QBXBFTAFQADAOU-AWEZNQCLSA-N 1 0 363.458 2.374 20 30 FEEDRO CN(Cc1ccccc1NC(=O)[C@H]1CCCN1C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC000329959219 554039353 /nfs/dbraw/zinc/03/93/53/554039353.db2.gz QMKDHWJGLHBBRT-MSOLQXFVSA-N 1 0 358.486 2.421 20 30 FEEDRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)N1CCn2ncnc2C1 ZINC000329976648 554042089 /nfs/dbraw/zinc/04/20/89/554042089.db2.gz YWRMIENAHKHAMQ-HZPDHXFCSA-N 1 0 368.485 2.164 20 30 FEEDRO CO[C@]1(C)CCCN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC1 ZINC000329985304 554044323 /nfs/dbraw/zinc/04/43/23/554044323.db2.gz DCHNINUKRNDMPA-ZHALLVOQSA-N 1 0 353.507 2.169 20 30 FEEDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N2C[C@@]3(CCOC3)OC(C)(C)C2)C1 ZINC000329986412 554044418 /nfs/dbraw/zinc/04/44/18/554044418.db2.gz FFZCGEKOHIFNST-VQIMIIECSA-N 1 0 353.507 2.291 20 30 FEEDRO CC(=O)N1CC[C@H](NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000329992550 554045737 /nfs/dbraw/zinc/04/57/37/554045737.db2.gz XOZYQEQXUHRGAT-AYOQOUSVSA-N 1 0 358.486 2.021 20 30 FEEDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)N[C@@H]1CCO[C@H]1c1ccc(=O)[nH]c1 ZINC000330031228 554052176 /nfs/dbraw/zinc/05/21/76/554052176.db2.gz SWHCVKFLVKELDA-XCRHUMRWSA-N 1 0 362.474 2.193 20 30 FEEDRO CC(C)(CNC(=O)N[C@H]1CCOC2(CCOCC2)C1)C[NH+]1CCCC1 ZINC000330109118 554066241 /nfs/dbraw/zinc/06/62/41/554066241.db2.gz OSWKCACTUFGJNP-INIZCTEOSA-N 1 0 353.507 2.340 20 30 FEEDRO C[C@H](CNC(=O)N1C[C@H](C)O[C@@]2(CCCOC2)C1)[NH+]1CCC(C)CC1 ZINC000330137537 554071991 /nfs/dbraw/zinc/07/19/91/554071991.db2.gz UYMOGVYUJFHRPP-AOIWGVFYSA-N 1 0 353.507 2.291 20 30 FEEDRO COc1ccc([C@H](C)NC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)cc1F ZINC000330163316 554076842 /nfs/dbraw/zinc/07/68/42/554076842.db2.gz ASEYOAOGLNVOOK-GJZGRUSLSA-N 1 0 365.449 2.463 20 30 FEEDRO CC[C@H](C)[C@H](NC(=O)N1CCCC1)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000330167122 554077425 /nfs/dbraw/zinc/07/74/25/554077425.db2.gz YPYNUCQRNXDTEU-FJIDUMEYSA-N 1 0 364.534 2.354 20 30 FEEDRO C[C@H]1CCCCN(C(=O)Nc2ccnc(C(=O)N3CCN(C)CC3)c2)C1 ZINC000330171724 554077918 /nfs/dbraw/zinc/07/79/18/554077918.db2.gz XNOZMKMKESQWSD-HNNXBMFYSA-N 1 0 359.474 2.137 20 30 FEEDRO CCn1cc([C@@H]2NC(=O)CC[C@H]2NC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)cn1 ZINC000330183547 554080227 /nfs/dbraw/zinc/08/02/27/554080227.db2.gz QBMLXKHRQCZDOW-NUJGCVRESA-N 1 0 374.489 2.147 20 30 FEEDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000330186099 554080676 /nfs/dbraw/zinc/08/06/76/554080676.db2.gz JNWGWLNSENMIAM-HNNXBMFYSA-N 1 0 367.453 2.293 20 30 FEEDRO CCC[NH+]1CCC(NC(=O)NC2CCN(c3cc(C)nc(C)n3)CC2)CC1 ZINC000330184908 554080792 /nfs/dbraw/zinc/08/07/92/554080792.db2.gz IUMDBVLIITYNGW-UHFFFAOYSA-N 1 0 374.533 2.440 20 30 FEEDRO O=C(NCC1(C[NH+]2CCOCC2)CCCCC1)N1CCO[C@H](C2CC2)C1 ZINC000330190552 554081431 /nfs/dbraw/zinc/08/14/31/554081431.db2.gz WFWJDHPMIPDAQO-SFHVURJKSA-N 1 0 365.518 2.294 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1F ZINC000330197202 554082876 /nfs/dbraw/zinc/08/28/76/554082876.db2.gz RMHXLHQKCCDXFB-KSSFIOAISA-N 1 0 363.458 2.335 20 30 FEEDRO C[NH+](C)C1(CNC(=O)N2CC(=O)N(CC(F)(F)F)C2)CCCCCC1 ZINC000330195856 554083052 /nfs/dbraw/zinc/08/30/52/554083052.db2.gz ZWYDLXLIWZVIHV-UHFFFAOYSA-N 1 0 364.412 2.219 20 30 FEEDRO O=C(Nc1cccc(C(=O)N2CCC(O)CC2)c1)[C@@H]1CCCN1C1CC1 ZINC000330209839 554085704 /nfs/dbraw/zinc/08/57/04/554085704.db2.gz BZNMBVCUJZTHAW-SFHVURJKSA-N 1 0 357.454 2.498 20 30 FEEDRO CC(C)CC(=O)N1CCC(NC(=O)NCC2CC[NH+](C3CC3)CC2)CC1 ZINC000330248015 554092824 /nfs/dbraw/zinc/09/28/24/554092824.db2.gz MABSWZDATXLTLQ-UHFFFAOYSA-N 1 0 364.534 2.402 20 30 FEEDRO Cc1cnc(N2CCN(CC(=O)NC3CC[NH+](C(C)C)CC3)CC2)s1 ZINC000330260682 554095000 /nfs/dbraw/zinc/09/50/00/554095000.db2.gz OMXXIQBDQHEVBU-UHFFFAOYSA-N 1 0 365.547 2.403 20 30 FEEDRO Cc1nnsc1CNC(=O)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000330272412 554097011 /nfs/dbraw/zinc/09/70/11/554097011.db2.gz XPWOGRZFOIBZBO-BETUJISGSA-N 1 0 367.519 2.082 20 30 FEEDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)N[C@@H]1CCC[C@@H]2OCC[C@@H]21 ZINC000330272567 554097076 /nfs/dbraw/zinc/09/70/76/554097076.db2.gz XSLLWWGGBYJVJL-HPBDAGMYSA-N 1 0 351.491 2.043 20 30 FEEDRO C[C@H](CNC(=O)N[C@@H]1CCO[C@H](c2cncn2C)C1)[NH+]1CCC(C)CC1 ZINC000330322017 554105152 /nfs/dbraw/zinc/10/51/52/554105152.db2.gz GMNZTNKSYFYMFL-NUJGCVRESA-N 1 0 363.506 2.264 20 30 FEEDRO C[C@@H](C#N)CN(C)S(=O)(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000330375331 554113065 /nfs/dbraw/zinc/11/30/65/554113065.db2.gz NROXGVNIBILWTK-DLBZAZTESA-N 1 0 370.563 2.299 20 30 FEEDRO CCN(C[C@H](C)C#N)S(=O)(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000330385918 554114281 /nfs/dbraw/zinc/11/42/81/554114281.db2.gz LSLXXITWTRUDBM-FGTMMUONSA-N 1 0 370.563 2.299 20 30 FEEDRO CCCN(CC[NH+]1CCCCC1)C(=O)C(=O)N1CCc2ccc(C#N)cc21 ZINC000507975363 561747671 /nfs/dbraw/zinc/74/76/71/561747671.db2.gz IWKYHXIGCWXUJX-UHFFFAOYSA-N 1 0 368.481 2.172 20 30 FEEDRO CC[C@H](C)[C@H](NC(=O)N1CCCC1)C(=O)N1CC[NH+](CC(C)C)CC1 ZINC000330671634 554155088 /nfs/dbraw/zinc/15/50/88/554155088.db2.gz FLOASCFOVCXZFW-IRXDYDNUSA-N 1 0 352.523 2.211 20 30 FEEDRO COCC[N@@H+]1CC[C@@H](NC(=O)NCc2ccc(Br)s2)C1 ZINC000330844037 554178412 /nfs/dbraw/zinc/17/84/12/554178412.db2.gz OEKSEYPQBGXOBO-SNVBAGLBSA-N 1 0 362.293 2.235 20 30 FEEDRO CO[C@H](CNC(=O)N1CC[N@H+](C[C@H](C)O)[C@H](C)C1)c1ccc(Cl)cc1 ZINC000330844534 554178509 /nfs/dbraw/zinc/17/85/09/554178509.db2.gz LANGLXQCUNRLJP-JKIFEVAISA-N 1 0 369.893 2.328 20 30 FEEDRO COCCOc1cc(NC(=O)N2CC[N@H+](C)[C@@H](C)[C@H]2C)ccc1OC ZINC000330867730 554180897 /nfs/dbraw/zinc/18/08/97/554180897.db2.gz ABCBDKFKRRUFIB-UONOGXRCSA-N 1 0 351.447 2.290 20 30 FEEDRO CN(C)c1c(Cl)cccc1NC(=O)N1CCC([N@H+](C)CCO)CC1 ZINC000330877438 554181735 /nfs/dbraw/zinc/18/17/35/554181735.db2.gz WOOIDYOKKDCZCA-UHFFFAOYSA-N 1 0 354.882 2.340 20 30 FEEDRO CC(=O)Nc1cc(C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)cc(C(F)(F)F)c1 ZINC000330995624 554199112 /nfs/dbraw/zinc/19/91/12/554199112.db2.gz UKNWXFUUIGBUGP-OAHLLOKOSA-N 1 0 372.391 2.214 20 30 FEEDRO C[C@@H]1CC(C)(C)C[C@@](CO)([NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000331099124 554212525 /nfs/dbraw/zinc/21/25/25/554212525.db2.gz CAENOMULJWEFIO-BEFAXECRSA-N 1 0 364.511 2.499 20 30 FEEDRO C[C@H]1CC(C)(C)C[C@@](CO)([NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000331099127 554212745 /nfs/dbraw/zinc/21/27/45/554212745.db2.gz CAENOMULJWEFIO-KXBFYZLASA-N 1 0 364.511 2.499 20 30 FEEDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CC[C@H](CS(C)(=O)=O)C2)C1 ZINC000331181306 554227057 /nfs/dbraw/zinc/22/70/57/554227057.db2.gz XCJUQMHFIXCGIF-CVEARBPZSA-N 1 0 373.563 2.168 20 30 FEEDRO CC(C)C[C@@H]1C[C@H](NC(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)CCO1 ZINC000331218312 554232513 /nfs/dbraw/zinc/23/25/13/554232513.db2.gz HHKSLJMOLUIQFA-BRWVUGGUSA-N 1 0 355.523 2.271 20 30 FEEDRO CO[C@H](C)c1nc(CNC(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)cs1 ZINC000331235615 554234560 /nfs/dbraw/zinc/23/45/60/554234560.db2.gz SVOBWEAJHUNPNN-QWHCGFSZSA-N 1 0 370.519 2.042 20 30 FEEDRO CC[NH+](CC)[C@H]1CCN(C(=O)NCc2ccc(C)c(S(C)(=O)=O)c2)C1 ZINC000331290158 554242533 /nfs/dbraw/zinc/24/25/33/554242533.db2.gz PEIZHGVLSFKYFF-INIZCTEOSA-N 1 0 367.515 2.229 20 30 FEEDRO CC(=O)Nc1ccc(F)c(NC(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)c1 ZINC000331295490 554242951 /nfs/dbraw/zinc/24/29/51/554242951.db2.gz NKEAOJPQNBTOIR-GFCCVEGCSA-N 1 0 366.437 2.107 20 30 FEEDRO C=CCn1c(COCC)nnc1N1CC[NH+](CCc2ccccc2)CC1 ZINC000508810108 561773546 /nfs/dbraw/zinc/77/35/46/561773546.db2.gz NYJRBCMKZSDWTK-UHFFFAOYSA-N 1 0 355.486 2.365 20 30 FEEDRO C=CCn1c(C(=O)NC(CC)CC)nnc1N1CC[NH+](CC(C)C)CC1 ZINC000508826568 561774170 /nfs/dbraw/zinc/77/41/70/561774170.db2.gz ONZUEXHZXCZGIY-UHFFFAOYSA-N 1 0 362.522 2.161 20 30 FEEDRO Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N[C@@H]3C[N@H+](C(C)C)C[C@H]3C)C2)n1 ZINC000331582386 554289049 /nfs/dbraw/zinc/28/90/49/554289049.db2.gz JFMZRHKKIAQTFV-AYOQOUSVSA-N 1 0 369.513 2.323 20 30 FEEDRO CC[NH+]1CCN(CCNC(=O)c2cn(CCCC#N)c3ccccc23)CC1 ZINC000509498788 561802515 /nfs/dbraw/zinc/80/25/15/561802515.db2.gz PINXTMMGNVJPPC-UHFFFAOYSA-N 1 0 367.497 2.312 20 30 FEEDRO CCOc1ccc(N(CCC#N)C(=O)CN2C[C@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000509504246 561802548 /nfs/dbraw/zinc/80/25/48/561802548.db2.gz RLOYZOPDUYCZIF-DLBZAZTESA-N 1 0 358.486 2.356 20 30 FEEDRO CCOc1ccc(N(CCC#N)C(=O)CN2C[C@@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000509504252 561802857 /nfs/dbraw/zinc/80/28/57/561802857.db2.gz RLOYZOPDUYCZIF-IAGOWNOFSA-N 1 0 358.486 2.356 20 30 FEEDRO C[C@H]1C[C@H](NC(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)CC[NH2+]1 ZINC000332530094 554464646 /nfs/dbraw/zinc/46/46/46/554464646.db2.gz GUTSSZHREXKTOA-DZGCQCFKSA-N 1 0 361.877 2.184 20 30 FEEDRO CC(C)(C#N)CNC(=O)C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000510646666 561841981 /nfs/dbraw/zinc/84/19/81/561841981.db2.gz MPUUDHDUQCYZSH-UHFFFAOYSA-N 1 0 372.469 2.156 20 30 FEEDRO Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N[C@@H]3C[C@@H](C)[N@@H+](C4CC4)C3)C2)n1 ZINC000333055685 554565675 /nfs/dbraw/zinc/56/56/75/554565675.db2.gz MDUYQCQIKWDSIK-BPQIPLTHSA-N 1 0 367.497 2.220 20 30 FEEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000333644890 554630388 /nfs/dbraw/zinc/63/03/88/554630388.db2.gz XXQPAZSGHSMFBU-ZDUSSCGKSA-N 1 0 356.470 2.199 20 30 FEEDRO C=C[C@H](CC(=O)N1CC[NH+]([C@@H]2CCNC(=O)CC2)CC1)c1ccccc1 ZINC000333743697 554638432 /nfs/dbraw/zinc/63/84/32/554638432.db2.gz LZOJGJMXTAPFTA-MJGOQNOKSA-N 1 0 355.482 2.159 20 30 FEEDRO N#CC1(F)CC[NH+](CCC(=O)N2CCN(c3ccc(F)cc3)CC2)CC1 ZINC000510889583 561849764 /nfs/dbraw/zinc/84/97/64/561849764.db2.gz XXKAVBHMMUXNKS-UHFFFAOYSA-N 1 0 362.424 2.192 20 30 FEEDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC(F)(C#N)CC1 ZINC000510935549 561851321 /nfs/dbraw/zinc/85/13/21/561851321.db2.gz TVQQVXAHEDOMMD-UHFFFAOYSA-N 1 0 350.350 2.260 20 30 FEEDRO C[NH+](C)[C@@H]1CCOc2c(NC(=O)C(=O)NCC(C)(C)CCC#N)cccc21 ZINC000510939607 561851581 /nfs/dbraw/zinc/85/15/81/561851581.db2.gz OOVAHTADBMRXPU-MRXNPFEDSA-N 1 0 372.469 2.456 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1NC(=O)N1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000334078375 554675340 /nfs/dbraw/zinc/67/53/40/554675340.db2.gz KOQGAPPHDBQADK-DKKFBQAASA-N 1 0 365.518 2.251 20 30 FEEDRO C=CCOC[C@@H]1NC(=O)N(C2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)C1=O ZINC000348586304 554689607 /nfs/dbraw/zinc/68/96/07/554689607.db2.gz KYVVZHSUYTTYNT-NUJGCVRESA-N 1 0 371.481 2.266 20 30 FEEDRO N#Cc1ccc(-c2nnc(CN3CC[NH+]([C@@H]4CCSC4)CC3)o2)cc1 ZINC000362823530 554991333 /nfs/dbraw/zinc/99/13/33/554991333.db2.gz SCOMLFKJLBMYIX-MRXNPFEDSA-N 1 0 355.467 2.231 20 30 FEEDRO N#Cc1ccc(-c2cnc(CN3CC[NH+](C[C@@H]4CCOC4)CC3)o2)cc1 ZINC000363131339 555037361 /nfs/dbraw/zinc/03/73/61/555037361.db2.gz KLABKVLTUCOZDA-KRWDZBQOSA-N 1 0 352.438 2.367 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCO[C@H]1C1CC1 ZINC000363149920 555040774 /nfs/dbraw/zinc/04/07/74/555040774.db2.gz IBYRLEOOTMQZAF-OALUTQOASA-N 1 0 356.470 2.199 20 30 FEEDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCN(c2ccc(C#N)cc2F)CC1 ZINC000511909694 561884912 /nfs/dbraw/zinc/88/49/12/561884912.db2.gz KDYNTQSLPPGPBT-KRWDZBQOSA-N 1 0 373.476 2.403 20 30 FEEDRO C[C@H](Oc1ccccc1C#N)C(=O)N[C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000363418147 555100576 /nfs/dbraw/zinc/10/05/76/555100576.db2.gz MVIXZKQAVXEZDU-KCITZHQASA-N 1 0 371.481 2.331 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2CC[C@H]([NH+]3CCCC3)C2)c(C(F)(F)F)c1 ZINC000363458729 555111498 /nfs/dbraw/zinc/11/14/98/555111498.db2.gz AMEVVMSUMKZQLB-ZDUSSCGKSA-N 1 0 373.400 2.436 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CC(=O)N(Cc3ccccc3)C2)CC1 ZINC000363491623 555119574 /nfs/dbraw/zinc/11/95/74/555119574.db2.gz VUZJMGHGORLMPL-IBGZPJMESA-N 1 0 370.497 2.127 20 30 FEEDRO COCCC[N@@H+]1CCCN(C(=O)/C=C/c2ccc(OCC#N)cc2)CC1 ZINC000363585516 555142328 /nfs/dbraw/zinc/14/23/28/555142328.db2.gz BVXYHULOFQSKSW-RMKNXTFCSA-N 1 0 357.454 2.173 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@H]2CSCN2C(=O)C2CCCC2)CC1 ZINC000363663063 555158557 /nfs/dbraw/zinc/15/85/57/555158557.db2.gz YQDYKWQYWQRFCK-QGZVFWFLSA-N 1 0 365.543 2.235 20 30 FEEDRO CN1CC[NH+](C[C@@H]2CCCN(C(=O)CSc3ccc(C#N)cc3)C2)CC1 ZINC000363672028 555160702 /nfs/dbraw/zinc/16/07/02/555160702.db2.gz MESQNRFHDDXUJN-SFHVURJKSA-N 1 0 372.538 2.136 20 30 FEEDRO COC(=O)[C@H](N[C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@@H]1C)c1cccc(C#N)c1 ZINC000363707157 555168781 /nfs/dbraw/zinc/16/87/81/555168781.db2.gz PSTIWXUNFLYMIH-KCUHQSDYSA-N 1 0 371.481 2.251 20 30 FEEDRO CCCC[C@@H](ON=C(C)C)C(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000363890819 555207969 /nfs/dbraw/zinc/20/79/69/555207969.db2.gz SCBSKIZLUHXTMB-LJQANCHMSA-N 1 0 366.550 2.444 20 30 FEEDRO CC1CC[NH+](CC2CCN(S(=O)(=O)c3ccc(C#N)nc3)CC2)CC1 ZINC000364039386 555238531 /nfs/dbraw/zinc/23/85/31/555238531.db2.gz FVLPNCMRDGRYJR-UHFFFAOYSA-N 1 0 362.499 2.086 20 30 FEEDRO N#Cc1cc(NC(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)ccc1N1CCC(O)CC1 ZINC000364090483 555247695 /nfs/dbraw/zinc/24/76/95/555247695.db2.gz NIKYQEYHOJGAOZ-FUHWJXTLSA-N 1 0 368.481 2.332 20 30 FEEDRO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2S(=O)(=O)c1cccnc1C#N ZINC000364349372 555296380 /nfs/dbraw/zinc/29/63/80/555296380.db2.gz BKMUUOBRTKSZFH-CRAIPNDOSA-N 1 0 368.462 2.258 20 30 FEEDRO C=C[C@](C)(CCOC)C(=O)N1CCC(N2CC[NH+](CCC)CC2)CC1 ZINC000364452367 555316388 /nfs/dbraw/zinc/31/63/88/555316388.db2.gz DIPHVYPYHJDTLD-HXUWFJFHSA-N 1 0 351.535 2.234 20 30 FEEDRO C=CCN(C(=O)COCc1nc(C)no1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000364579261 555343896 /nfs/dbraw/zinc/34/38/96/555343896.db2.gz VKHCBVDDWWUVSA-GOSISDBHSA-N 1 0 370.453 2.184 20 30 FEEDRO C#CCNC(=O)[C@@H](C)[NH+]1CCC(C(=O)N(Cc2ccccc2)C2CC2)CC1 ZINC000364664396 555367166 /nfs/dbraw/zinc/36/71/66/555367166.db2.gz ZMPHENCPXYPTGM-QGZVFWFLSA-N 1 0 367.493 2.028 20 30 FEEDRO CC[NH+](CC)C[C@H](C)NC(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 ZINC000512605822 561910222 /nfs/dbraw/zinc/91/02/22/561910222.db2.gz IFBNTRMYKDORAA-PKOBYXMFSA-N 1 0 357.502 2.136 20 30 FEEDRO C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CCCC12CC[NH+](C)CC2 ZINC000364772660 555398651 /nfs/dbraw/zinc/39/86/51/555398651.db2.gz ORUJWABEFYXMCD-HNNXBMFYSA-N 1 0 370.453 2.003 20 30 FEEDRO Cn1ccc(N2CC[C@H]([NH2+]Cc3cccn3Cc3ccccc3C#N)C2=O)n1 ZINC000364863088 555418568 /nfs/dbraw/zinc/41/85/68/555418568.db2.gz JIEVVXYYKYMJNB-IBGZPJMESA-N 1 0 374.448 2.037 20 30 FEEDRO CCOc1cc(C[NH+]2CCC(NC(=O)c3cc(C#N)c[nH]3)CC2)ccc1O ZINC000365029897 555469292 /nfs/dbraw/zinc/46/92/92/555469292.db2.gz DXSFXNZPWVAOAJ-UHFFFAOYSA-N 1 0 368.437 2.385 20 30 FEEDRO C=CCOc1ccc(C[NH2+]C[C@H]2CCCC[C@@H]2NS(C)(=O)=O)cc1 ZINC000512861139 561918115 /nfs/dbraw/zinc/91/81/15/561918115.db2.gz NGLVUHOKJBFKTJ-AEFFLSMTSA-N 1 0 352.500 2.449 20 30 FEEDRO CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1[C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000365393209 555562031 /nfs/dbraw/zinc/56/20/31/555562031.db2.gz JGRMVEBWTFKBLD-ZOCIIQOWSA-N 1 0 354.454 2.361 20 30 FEEDRO CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1[C@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000365393205 555562600 /nfs/dbraw/zinc/56/26/00/555562600.db2.gz JGRMVEBWTFKBLD-MDASCCDHSA-N 1 0 354.454 2.361 20 30 FEEDRO C=CCc1ccc(OC[C@@H](O)C[NH+]2CCC(c3nnc[nH]3)CC2)c(OC)c1 ZINC000365922043 555701705 /nfs/dbraw/zinc/70/17/05/555701705.db2.gz XBZIIGDSVAYKBI-KRWDZBQOSA-N 1 0 372.469 2.161 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N2C[C@H](CC)O[C@]3(CCCOC3)C2)CC1 ZINC000366303424 555806408 /nfs/dbraw/zinc/80/64/08/555806408.db2.gz GGRZDYWGLHEVEN-PKOBYXMFSA-N 1 0 351.491 2.006 20 30 FEEDRO Cc1ccccc1CN(C)C(=O)[C@@H](C)[NH+]1CCC(n2cnc(C#N)n2)CC1 ZINC000366376834 555826327 /nfs/dbraw/zinc/82/63/27/555826327.db2.gz FFQCDRVIAWURCK-MRXNPFEDSA-N 1 0 366.469 2.142 20 30 FEEDRO COC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](CCCC2(C#N)CCOCC2)CC1 ZINC000366416520 555837446 /nfs/dbraw/zinc/83/74/46/555837446.db2.gz KJVIXGOSNHPSEB-MSOLQXFVSA-N 1 0 364.486 2.377 20 30 FEEDRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2C(=O)/C=C/c1ccc(OCC#N)cc1 ZINC000366432138 555841949 /nfs/dbraw/zinc/84/19/49/555841949.db2.gz BCNKVVWPGAAQCI-PNLHWAJLSA-N 1 0 369.465 2.312 20 30 FEEDRO N#Cc1ccc(N2CCC[N@@H+](C[C@H](O)COCC(F)(F)F)CC2)cc1 ZINC000366446160 555846272 /nfs/dbraw/zinc/84/62/72/555846272.db2.gz ZWFWAVIAKCWUAK-INIZCTEOSA-N 1 0 357.376 2.010 20 30 FEEDRO CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000366614654 555890650 /nfs/dbraw/zinc/89/06/50/555890650.db2.gz DYAXELCOGPSXJD-UHFFFAOYSA-N 1 0 371.485 2.186 20 30 FEEDRO C=C(C)[C@H]1OCC[C@H]1CNC(=O)N(C)C1CC[NH+](C2CCOCC2)CC1 ZINC000366676140 555906027 /nfs/dbraw/zinc/90/60/27/555906027.db2.gz DXFJCQQRJHEIHE-QFBILLFUSA-N 1 0 365.518 2.252 20 30 FEEDRO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[NH2+][C@@H]2CCC(=O)NC23CCC3)cc1 ZINC000367251480 556004047 /nfs/dbraw/zinc/00/40/47/556004047.db2.gz GDJVAAVPDLYHTB-FUHWJXTLSA-N 1 0 368.481 2.421 20 30 FEEDRO C=CCOc1ccc(CN2CCN([C@H]3CCC[N@H+](C)C3)CC2)cc1OC ZINC000367472561 556059639 /nfs/dbraw/zinc/05/96/39/556059639.db2.gz OXUBJFPQCUFPQB-IBGZPJMESA-N 1 0 359.514 2.472 20 30 FEEDRO N#Cc1cc(S(=O)(=O)N2[C@@H]3CC[C@H]2C[C@@H]([NH3+])C3)ccc1C(F)(F)F ZINC000367596155 556092903 /nfs/dbraw/zinc/09/29/03/556092903.db2.gz DWNSHXHBUSLLJT-ZSBIGDGJSA-N 1 0 359.373 2.220 20 30 FEEDRO C[N@@H+]1C[C@@H]2CN(S(=O)(=O)CCC(C)(C)C#N)C[C@@H]2[C@H]1c1ccccc1 ZINC000367708599 556120205 /nfs/dbraw/zinc/12/02/05/556120205.db2.gz VFRYSNKGNLUDBW-FGTMMUONSA-N 1 0 361.511 2.491 20 30 FEEDRO N#Cc1ccc(N2CC[C@H](C(=O)N3CCC[N@@H+]4CCC[C@@H]4C3)C2)c(F)c1 ZINC000367721690 556123139 /nfs/dbraw/zinc/12/31/39/556123139.db2.gz RFPRSFIPAOOIEP-DLBZAZTESA-N 1 0 356.445 2.220 20 30 FEEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCC1N=NC(=O)S1 ZINC000515174228 561998986 /nfs/dbraw/zinc/99/89/86/561998986.db2.gz XQFYJDQWRHXNNN-UHFFFAOYSA-N 1 0 366.516 2.342 20 30 FEEDRO COc1ccc(C(=O)N2CCN([C@@H]3CC[C@@H](C#N)C3)CC2)c(OC)c1OC ZINC000515314823 562004757 /nfs/dbraw/zinc/00/47/57/562004757.db2.gz PTJYXDNUDVWRPV-HUUCEWRRSA-N 1 0 373.453 2.162 20 30 FEEDRO CCC(=O)N1CCC[C@H]1[C@@H]1CCC[N@@H+]1CC(=O)NCc1ccc(C#N)cc1 ZINC000368669280 556380047 /nfs/dbraw/zinc/38/00/47/556380047.db2.gz ODHDQIKBESKVHU-OALUTQOASA-N 1 0 368.481 2.040 20 30 FEEDRO N#Cc1ccccc1N1CCN(C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000368884088 556438551 /nfs/dbraw/zinc/43/85/51/556438551.db2.gz NYZDTHWUPSVLOY-ROUUACIJSA-N 1 0 353.470 2.017 20 30 FEEDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N(C)Cc1cccc(C#N)c1 ZINC000515694925 562019688 /nfs/dbraw/zinc/01/96/88/562019688.db2.gz OSVYAWKEPTWLOD-LJQANCHMSA-N 1 0 370.497 2.143 20 30 FEEDRO CCCCCCCS(=O)(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000369105880 556506697 /nfs/dbraw/zinc/50/66/97/556506697.db2.gz BRWHBDSJFGDXSH-MSOLQXFVSA-N 1 0 359.580 2.244 20 30 FEEDRO Cc1c(C(=O)N(C)C2(C#N)CCC2)nnn1-c1cccc2c1CC[N@H+](C)C2 ZINC000369118548 556509499 /nfs/dbraw/zinc/50/94/99/556509499.db2.gz SSEAHTJMYUFBAH-UHFFFAOYSA-N 1 0 364.453 2.082 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N[C@H]2CCCN(c3ccccc3C#N)C2)CC1 ZINC000369137122 556513972 /nfs/dbraw/zinc/51/39/72/556513972.db2.gz KNARQSCHJUWSJM-IBGZPJMESA-N 1 0 367.497 2.477 20 30 FEEDRO CCOc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H](C)[N@@H+]1CCCC[C@H]1C ZINC000516306736 562039168 /nfs/dbraw/zinc/03/91/68/562039168.db2.gz UNLCNXZCOITINF-CABCVRRESA-N 1 0 372.469 2.275 20 30 FEEDRO C=CCN(C(=O)c1ccc(OC)nn1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000369570769 556634402 /nfs/dbraw/zinc/63/44/02/556634402.db2.gz TXWDRAUZWHLAOP-KRWDZBQOSA-N 1 0 352.438 2.388 20 30 FEEDRO C#CCSCCNC(=O)N[C@@H]1CC[N@@H+](Cc2cnc(C)s2)C[C@H]1C ZINC000369612243 556647992 /nfs/dbraw/zinc/64/79/92/556647992.db2.gz OFNKVINXWAUIGT-CZUORRHYSA-N 1 0 366.556 2.328 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000516252634 562037539 /nfs/dbraw/zinc/03/75/39/562037539.db2.gz JOYAYTZWFWGNHV-FYQPLNBISA-N 1 0 358.482 2.109 20 30 FEEDRO C[C@@H]([NH2+]C1CCN(CC(=O)N2CCCC2)CC1)c1ccc(OCC#N)cc1 ZINC000369840306 556709094 /nfs/dbraw/zinc/70/90/94/556709094.db2.gz KWIHJMIXWPMZFV-QGZVFWFLSA-N 1 0 370.497 2.326 20 30 FEEDRO COCCC[N@@H+]1CCCN(CC(=O)Nc2cc(Cl)ccc2C#N)CC1 ZINC000369903826 556725772 /nfs/dbraw/zinc/72/57/72/556725772.db2.gz CIZGFMZEZDHIRN-UHFFFAOYSA-N 1 0 364.877 2.194 20 30 FEEDRO N#Cc1ccc(CN2CCCN(C(=O)c3cc4c([nH]3)CCOC4)CC2)cc1 ZINC000516851441 562060429 /nfs/dbraw/zinc/06/04/29/562060429.db2.gz FKSVGXDQMGVDDW-UHFFFAOYSA-N 1 0 364.449 2.307 20 30 FEEDRO C#CC[C@@H](NC(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1)c1ccccc1 ZINC000371090853 557072092 /nfs/dbraw/zinc/07/20/92/557072092.db2.gz YRKSTNIIWZLDQM-AZUAARDMSA-N 1 0 354.498 2.219 20 30 FEEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000371241852 557117046 /nfs/dbraw/zinc/11/70/46/557117046.db2.gz DNXSJBBYJLMGBE-GOSISDBHSA-N 1 0 356.470 2.199 20 30 FEEDRO C#CCNC(=O)[C@@H](C)[N@H+](C)CC1CCN(C(=O)Nc2ccccc2)CC1 ZINC000371248653 557119071 /nfs/dbraw/zinc/11/90/71/557119071.db2.gz DLUZBEMBVIIVMQ-MRXNPFEDSA-N 1 0 356.470 2.000 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(-c3cccc(F)c3)no2)c1C#N ZINC000517502584 562091462 /nfs/dbraw/zinc/09/14/62/562091462.db2.gz CKMSHDFWWOLGHU-UHFFFAOYSA-N 1 0 368.372 2.480 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)[C@H]2CCCCN2C(=O)C2CCCC2)CC1 ZINC000371824949 557304522 /nfs/dbraw/zinc/30/45/22/557304522.db2.gz OMRBMZKMMQEECW-LJQANCHMSA-N 1 0 359.514 2.162 20 30 FEEDRO CC[C@H](C)[N@H+](C)CCNC(=O)[C@H]1CCCN(c2nc(C)ccc2C#N)C1 ZINC000371843064 557309630 /nfs/dbraw/zinc/30/96/30/557309630.db2.gz QEAJOLMTPRYMFF-WMZOPIPTSA-N 1 0 357.502 2.325 20 30 FEEDRO COc1cc(C#N)ccc1OCCCC(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000518366212 562109642 /nfs/dbraw/zinc/10/96/42/562109642.db2.gz QMFKEIWHIANWFJ-KRWDZBQOSA-N 1 0 357.454 2.421 20 30 FEEDRO COCCn1ncc2c1[C@@H]([NH2+]Cc1cnc3ccc(C#N)cn13)CCC2 ZINC000371952452 557337296 /nfs/dbraw/zinc/33/72/96/557337296.db2.gz GDXZWBXEMGSTIN-KRWDZBQOSA-N 1 0 350.426 2.216 20 30 FEEDRO N#Cc1ccc(O[C@@H]2CCN(C(=O)NC3CC([NH+]4CCCCC4)C3)C2)nc1 ZINC000519056453 562124176 /nfs/dbraw/zinc/12/41/76/562124176.db2.gz BIGXQPXKLSXOBQ-DAWZGUTISA-N 1 0 369.469 2.133 20 30 FEEDRO C=C(C)CN(CC)C(=O)[C@H](C)N[C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@@H]1C ZINC000372478310 557480899 /nfs/dbraw/zinc/48/08/99/557480899.db2.gz QBXIMHMMHYDTLH-CADBVGFASA-N 1 0 351.535 2.279 20 30 FEEDRO C#CCN(Cc1ccc(F)cc1)C(=O)NC[C@H]1CCC[C@@H]1[NH+]1CCOCC1 ZINC000372563408 557506166 /nfs/dbraw/zinc/50/61/66/557506166.db2.gz KFEATKLVWIPOOD-QUCCMNQESA-N 1 0 373.472 2.471 20 30 FEEDRO C=CCN(C(=O)c1ccn(CCOC)n1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000372612541 557521074 /nfs/dbraw/zinc/52/10/74/557521074.db2.gz VJGNNNPZXAAJHF-IBGZPJMESA-N 1 0 368.481 2.432 20 30 FEEDRO CN(C)C(=O)c1c[nH]nc1[C@H]1CCC[N@H+](CCOc2cccc(C#N)c2)C1 ZINC000372612070 557521221 /nfs/dbraw/zinc/52/12/21/557521221.db2.gz JUEUFWGSHBRLLW-INIZCTEOSA-N 1 0 367.453 2.242 20 30 FEEDRO C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1NC(=O)NCc1ccc(C#N)cc1 ZINC000372653764 557530412 /nfs/dbraw/zinc/53/04/12/557530412.db2.gz FTTFAKWSMRSVNF-LZQZEXGQSA-N 1 0 356.470 2.247 20 30 FEEDRO Cc1cc(C#N)ccc1C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cnn(C)c1 ZINC000372761800 557556831 /nfs/dbraw/zinc/55/68/31/557556831.db2.gz OTEDYZZPOLBNFN-APWZRJJASA-N 1 0 351.454 2.413 20 30 FEEDRO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CC[C@]2(C1)CCCN(C)C2=O ZINC000372901551 557585012 /nfs/dbraw/zinc/58/50/12/557585012.db2.gz GCVMCSDAZAALRY-YJYMSZOUSA-N 1 0 374.872 2.483 20 30 FEEDRO CN1C(=O)N[C@]2(CCC[C@@H]2C[NH2+]Cc2ccc(F)c(C#N)c2Cl)C1=O ZINC000372993771 557605445 /nfs/dbraw/zinc/60/54/45/557605445.db2.gz WGILZOKUOGEXHF-DIFFPNOSSA-N 1 0 364.808 2.161 20 30 FEEDRO Cn1cc([C@@H]2NC(=O)CC[C@H]2[NH2+]Cc2ccc(F)c(C#N)c2Cl)cn1 ZINC000373010381 557609376 /nfs/dbraw/zinc/60/93/76/557609376.db2.gz BUJHSRXEKFLYDX-PBHICJAKSA-N 1 0 361.808 2.194 20 30 FEEDRO COc1ccc(C[C@@H]2CCC[N@@H+]2CC(=O)N(CCC#N)CCC#N)cc1 ZINC000373076221 557622888 /nfs/dbraw/zinc/62/28/88/557622888.db2.gz JNXLTFVUBGHIGA-SFHVURJKSA-N 1 0 354.454 2.358 20 30 FEEDRO CC(C)[N@H+](C)C[C@@H](O)COc1ccc(C#N)cc1I ZINC000519833271 562145893 /nfs/dbraw/zinc/14/58/93/562145893.db2.gz CMMQKPOKZWZXFL-GFCCVEGCSA-N 1 0 374.222 2.243 20 30 FEEDRO O=C(NCC[NH2+]C1CCN(c2ccc(Cl)cc2)CC1)C1N=CC=CC1=O ZINC000373138210 557636645 /nfs/dbraw/zinc/63/66/45/557636645.db2.gz JVFTVTQBGGTDLJ-HNENSFHCSA-N 1 0 374.872 2.425 20 30 FEEDRO COc1ccc2c(c1)[C@H]([NH3+])CCN2S(=O)(=O)c1cccc(C)c1C#N ZINC000373181520 557645088 /nfs/dbraw/zinc/64/50/88/557645088.db2.gz UIYGYGBROUXHLD-MRXNPFEDSA-N 1 0 357.435 2.474 20 30 FEEDRO Cc1c(O)ccc2c(C[NH+]3CCC(n4cnc(C#N)n4)CC3)cc(=O)oc12 ZINC000373414120 557689079 /nfs/dbraw/zinc/68/90/79/557689079.db2.gz VGYVJLQNVBZGTH-UHFFFAOYSA-N 1 0 365.393 2.107 20 30 FEEDRO C[C@@H]1CCC[N@H+](CCCCNC(=O)N2CCC(n3cnc(C#N)n3)CC2)C1 ZINC000373450665 557696159 /nfs/dbraw/zinc/69/61/59/557696159.db2.gz AGUFYWLBLKFYLX-MRXNPFEDSA-N 1 0 373.505 2.008 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cnn(CC3CCOCC3)c2C)CC1 ZINC000373521920 557710586 /nfs/dbraw/zinc/71/05/86/557710586.db2.gz OOIYKHUYNVDDHA-UHFFFAOYSA-N 1 0 360.502 2.388 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@]3(C2)c2ccccc2NC3=O)CC1 ZINC000373599666 557726773 /nfs/dbraw/zinc/72/67/73/557726773.db2.gz VSNFJYCLRYXKSN-NRFANRHFSA-N 1 0 368.481 2.332 20 30 FEEDRO C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC(COC)(C(=O)OCC)CC1 ZINC000373804583 557762878 /nfs/dbraw/zinc/76/28/78/557762878.db2.gz JQCDUBBXADNXCC-MRXNPFEDSA-N 1 0 354.491 2.091 20 30 FEEDRO CCCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000520595361 562159795 /nfs/dbraw/zinc/15/97/95/562159795.db2.gz WYLPVDHSWDFHHA-FRQCXROJSA-N 1 0 350.507 2.058 20 30 FEEDRO C=CCN(C[C@H](O)CO[C@H](C)COC)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000373910585 557785128 /nfs/dbraw/zinc/78/51/28/557785128.db2.gz ZYUMZEGANJVHJY-GIVPXCGWSA-N 1 0 362.514 2.161 20 30 FEEDRO C=CCN1CC[C@H](N(C)C(=O)N[C@H]2c3ccccc3CC[C@@H]2[NH+](C)C)C1=O ZINC000373950428 557794799 /nfs/dbraw/zinc/79/47/99/557794799.db2.gz MOZHWFBUOSSNJE-FHWLQOOXSA-N 1 0 370.497 2.032 20 30 FEEDRO C=CCN1C(=O)c2ccc(C(=O)NC[C@H](C)[NH+]3CCC(C)CC3)cc2C1=O ZINC000520868809 562165336 /nfs/dbraw/zinc/16/53/36/562165336.db2.gz XUBWRQBZTQDBGM-HNNXBMFYSA-N 1 0 369.465 2.319 20 30 FEEDRO COc1cc(C#N)ccc1OCC[N@@H+]1CCC[C@@H]1[C@H]1CCCN1C(C)=O ZINC000374175769 557837728 /nfs/dbraw/zinc/83/77/28/557837728.db2.gz PHZQHISQGMRVHW-QZTJIDSGSA-N 1 0 357.454 2.421 20 30 FEEDRO Cc1ccc(C#N)cc1NC(=O)C(=O)N1CCCC2(CC[NH+](C)CC2)C1 ZINC000374181318 557838931 /nfs/dbraw/zinc/83/89/31/557838931.db2.gz AYZIOONBIOFTMA-UHFFFAOYSA-N 1 0 354.454 2.140 20 30 FEEDRO CC(=O)CCc1ccc(O[C@@H](C)C(=O)NC2(C#N)CC[NH+](C)CC2)cc1 ZINC000520991072 562167091 /nfs/dbraw/zinc/16/70/91/562167091.db2.gz DGWFJKDBLNDTDZ-INIZCTEOSA-N 1 0 357.454 2.080 20 30 FEEDRO C[NH+](C)Cc1cccc(C(=O)N2C[C@H](C#N)[C@]3(C2)c2ccccc2NC3=O)c1 ZINC000374379519 557875294 /nfs/dbraw/zinc/87/52/94/557875294.db2.gz HEVQRPNLNQMFCI-HTAPYJJXSA-N 1 0 374.444 2.234 20 30 FEEDRO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000374403778 557879561 /nfs/dbraw/zinc/87/95/61/557879561.db2.gz VSGUJEAWLGSAOE-CVEARBPZSA-N 1 0 365.437 2.041 20 30 FEEDRO COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@@H](C)[N@@H+]2CCCC2(C#N)CCOCC2)O1 ZINC000374558632 557899593 /nfs/dbraw/zinc/89/95/93/557899593.db2.gz ALJCHRJERMCZSR-VQHPVUNQSA-N 1 0 350.459 2.270 20 30 FEEDRO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC[C@]2(C1)c1ccccc1NC2=O ZINC000375311970 558007420 /nfs/dbraw/zinc/00/74/20/558007420.db2.gz ZGPLNJXCBFTNQD-QKKBWIMNSA-N 1 0 360.417 2.481 20 30 FEEDRO CC(C)[NH+]1CCN(CCCN2CCO[C@@H](c3cccc(C#N)c3)C2)CC1 ZINC000375600201 558054881 /nfs/dbraw/zinc/05/48/81/558054881.db2.gz SMLKFCKMOPHWIW-OAQYLSRUSA-N 1 0 356.514 2.348 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)c2cccn(Cc3ccccc3)c2=O)CC1 ZINC000521576525 562179043 /nfs/dbraw/zinc/17/90/43/562179043.db2.gz OQXZJGDUSKCZGH-UHFFFAOYSA-N 1 0 351.450 2.277 20 30 FEEDRO CCN1CC[NH+](CCCCNC(=O)[C@]2(C#N)CCc3ccccc3C2)CC1 ZINC000376546807 558188457 /nfs/dbraw/zinc/18/84/57/558188457.db2.gz FJOBPBZCDQLNPC-JOCHJYFZSA-N 1 0 368.525 2.219 20 30 FEEDRO CC[C@@H](C#N)Oc1cc(CNC(=O)N2CC[NH+]3CCC2CC3)ccc1OC ZINC000376684378 558208107 /nfs/dbraw/zinc/20/81/07/558208107.db2.gz AXXIAMGFHGZSOQ-KRWDZBQOSA-N 1 0 372.469 2.366 20 30 FEEDRO C[N@@H+]1CC[C@@H](CNC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)[C@@H]1c1cccnc1 ZINC000376730320 558214103 /nfs/dbraw/zinc/21/41/03/558214103.db2.gz WXKDPNNLUTXEFQ-ACRUOGEOSA-N 1 0 373.460 2.445 20 30 FEEDRO C=CC[C@@H](C(=O)N1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1)c1ccccc1 ZINC000376906459 558237305 /nfs/dbraw/zinc/23/73/05/558237305.db2.gz FMSKFNZJIINZIY-RTBURBONSA-N 1 0 355.482 2.287 20 30 FEEDRO C=CCN(C(=O)NCC[C@H]1CCC(=O)N1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000377265183 558301778 /nfs/dbraw/zinc/30/17/78/558301778.db2.gz LVCOKKRBOJPTTM-MOPGFXCFSA-N 1 0 370.497 2.127 20 30 FEEDRO Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N(CC[NH+](C)C)C3CC3)C2)n1 ZINC000377305223 558310648 /nfs/dbraw/zinc/31/06/48/558310648.db2.gz COAXFRLLYXNDSM-KRWDZBQOSA-N 1 0 355.486 2.031 20 30 FEEDRO CN(CCC#N)c1ccc(C[N@@H+]2CCC[C@@H](CN3CC[NH+](C)CC3)C2)cc1 ZINC000377630868 558381035 /nfs/dbraw/zinc/38/10/35/558381035.db2.gz UEQKHMKMFFUYSW-NRFANRHFSA-N 1 0 369.557 2.496 20 30 FEEDRO COC(=O)c1cc(C[NH2+][C@H]2CCCN(c3ccccc3C#N)C2)cn1C ZINC000377645307 558385769 /nfs/dbraw/zinc/38/57/69/558385769.db2.gz HZLSNJSRIMRXCV-KRWDZBQOSA-N 1 0 352.438 2.442 20 30 FEEDRO CC(C)(C#N)CCS(=O)(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000377833782 558431447 /nfs/dbraw/zinc/43/14/47/558431447.db2.gz GMMQCOIAKIXXFG-UHFFFAOYSA-N 1 0 359.561 2.207 20 30 FEEDRO CCc1nc(CN2C[C@@H]3C[N@@H+](CC#Cc4ccc(F)cc4)C[C@@H]3C2)no1 ZINC000378221212 558505435 /nfs/dbraw/zinc/50/54/35/558505435.db2.gz WWVXQXZDDKKMSF-CALCHBBNSA-N 1 0 354.429 2.186 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]2[C@@H](O)c2ccc(OC)cc2)CC1 ZINC000378255120 558512667 /nfs/dbraw/zinc/51/26/67/558512667.db2.gz WISIIAIFHLLNCF-UXHICEINSA-N 1 0 356.466 2.065 20 30 FEEDRO CCc1nc(CN2C[C@@H]3C[N@@H+](Cc4ccc(C#N)cc4OC)C[C@@H]3C2)no1 ZINC000378363944 558539926 /nfs/dbraw/zinc/53/99/26/558539926.db2.gz ZIAHOSHTVNLLEP-CALCHBBNSA-N 1 0 367.453 2.076 20 30 FEEDRO C[C@@H]1CN(Cc2cn3ccccc3c2C#N)CCN1C1CC[NH+](C)CC1 ZINC000378369068 558541193 /nfs/dbraw/zinc/54/11/93/558541193.db2.gz JPFGCWIJZXCSQN-QGZVFWFLSA-N 1 0 351.498 2.411 20 30 FEEDRO N#CC1(NC(=O)[C@@H]2CCc3n[nH]cc3C2)CC[NH+](Cc2ccccc2)CC1 ZINC000378499962 558570525 /nfs/dbraw/zinc/57/05/25/558570525.db2.gz WTTNGKRBSSCNMM-QGZVFWFLSA-N 1 0 363.465 2.189 20 30 FEEDRO CC1CC(C#N)(C(=O)N2CCO[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000404191792 558631330 /nfs/dbraw/zinc/63/13/30/558631330.db2.gz NRTRXGYHQNUTBW-CXHBIVLNSA-N 1 0 353.466 2.428 20 30 FEEDRO CCc1nc(C#N)cc(N2CCO[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000404181506 558631458 /nfs/dbraw/zinc/63/14/58/558631458.db2.gz JKULFTSNIDOYRU-OALUTQOASA-N 1 0 363.465 2.390 20 30 FEEDRO C[C@H](O)C[N@@H+]1CCN(c2nc3c(c(C#N)c2C#N)CCCCCC3)C[C@@H]1C ZINC000408332647 558667547 /nfs/dbraw/zinc/66/75/47/558667547.db2.gz YCZVEBPKQIWDAK-HOTGVXAUSA-N 1 0 367.497 2.375 20 30 FEEDRO C[NH+](C)CCOc1cc(CNc2ccc(C(F)(F)F)c(C#N)n2)ccn1 ZINC000409729109 558717068 /nfs/dbraw/zinc/71/70/68/558717068.db2.gz RHQADOHRPHEYCY-UHFFFAOYSA-N 1 0 365.359 2.920 20 30 FEEDRO CCN(C[C@@H](C)C#N)S(=O)(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000410137719 558741275 /nfs/dbraw/zinc/74/12/75/558741275.db2.gz NYWWQJJXGIXGIJ-JKSUJKDBSA-N 1 0 366.531 2.432 20 30 FEEDRO CCN(C[C@H](C)C#N)S(=O)(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000410160307 558742782 /nfs/dbraw/zinc/74/27/82/558742782.db2.gz YDYYHLDSQFUSNC-SJORKVTESA-N 1 0 366.531 2.213 20 30 FEEDRO C=C(C)CN(C)C(=O)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000410815876 558813647 /nfs/dbraw/zinc/81/36/47/558813647.db2.gz UOSVBHUUQVOQSM-MOPGFXCFSA-N 1 0 355.482 2.001 20 30 FEEDRO C=C[C@H]1CCCCN1C(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(C)c1 ZINC000411480060 558902022 /nfs/dbraw/zinc/90/20/22/558902022.db2.gz VFZOMQFIIMCJDV-KRWDZBQOSA-N 1 0 359.470 2.441 20 30 FEEDRO CCO[C@H]1COCC[C@H]1[NH2+]CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000411554250 558916105 /nfs/dbraw/zinc/91/61/05/558916105.db2.gz FGKWMYCLDUZZTJ-CABCVRRESA-N 1 0 363.483 2.221 20 30 FEEDRO C[N@H+](CCc1cccc(NC(=O)C(=O)NCC(C)(C)CC#N)c1)C1CC1 ZINC000411648502 558935738 /nfs/dbraw/zinc/93/57/38/558935738.db2.gz OQRHCOUDANSZON-UHFFFAOYSA-N 1 0 356.470 2.318 20 30 FEEDRO CNC(=O)C[C@H]([NH2+]CCC(=O)Nc1ccccc1C#N)c1ccccc1 ZINC000411678567 558942200 /nfs/dbraw/zinc/94/22/00/558942200.db2.gz LYSOPGHTKLULHQ-SFHVURJKSA-N 1 0 350.422 2.354 20 30 FEEDRO CO[C@](C)([C@@H](C)[NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1)C1CC1 ZINC000411968929 558997132 /nfs/dbraw/zinc/99/71/32/558997132.db2.gz KQHFUQTWJLRROZ-JLTOFOAXSA-N 1 0 367.453 2.476 20 30 FEEDRO CC(C)[C@@H](CNC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)[NH+]1CCN(C)CC1 ZINC000412145296 559016933 /nfs/dbraw/zinc/01/69/33/559016933.db2.gz INXUGSHWFXHZKJ-XUVXKRRUSA-N 1 0 354.498 2.050 20 30 FEEDRO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(c2ncc(C#N)cc2F)CC1 ZINC000413066133 559074376 /nfs/dbraw/zinc/07/43/76/559074376.db2.gz IGMFVNBMCNQCNT-UHFFFAOYSA-N 1 0 361.465 2.013 20 30 FEEDRO N#Cc1cnc(N2CCC(C(=O)NCCC[NH+]3CCCCC3)CC2)c(F)c1 ZINC000413101304 559078256 /nfs/dbraw/zinc/07/82/56/559078256.db2.gz UDOWKTAIYVQBDG-UHFFFAOYSA-N 1 0 373.476 2.301 20 30 FEEDRO C=CC[C@H](Cc1ccccc1)NC(=O)N[C@H](C)CC[NH+]1CCN(C)CC1 ZINC000413836904 559133867 /nfs/dbraw/zinc/13/38/67/559133867.db2.gz PYPRYAGMRMZXSS-UYAOXDASSA-N 1 0 358.530 2.499 20 30 FEEDRO C=CC[C@H](C)NC(=O)NCc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000413841852 559134111 /nfs/dbraw/zinc/13/41/11/559134111.db2.gz YLCGXBRPVCNEHU-HNNXBMFYSA-N 1 0 358.486 2.148 20 30 FEEDRO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCC[C@@H](CNC(=O)c2ccccc2)C1 ZINC000527048445 562274556 /nfs/dbraw/zinc/27/45/56/562274556.db2.gz SRFDRPDFHKGIBF-SJORKVTESA-N 1 0 368.481 2.079 20 30 FEEDRO N#CCC[C@@H](NC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CC2)c1ccccc1 ZINC000414988865 559199340 /nfs/dbraw/zinc/19/93/40/559199340.db2.gz MLFDXQDWCRDNCN-LJQANCHMSA-N 1 0 362.433 2.432 20 30 FEEDRO N#Cc1cc(NC(=O)C(=O)NC2CC[NH2+]CC2)ccc1Oc1ccccc1 ZINC000415263780 559219578 /nfs/dbraw/zinc/21/95/78/559219578.db2.gz ARCXOXFXDDAFKS-UHFFFAOYSA-N 1 0 364.405 2.157 20 30 FEEDRO N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N3CCC[NH2+]CC3)cc2)cc1 ZINC000415317376 559223673 /nfs/dbraw/zinc/22/36/73/559223673.db2.gz KXSQBSUOBUDCIC-UHFFFAOYSA-N 1 0 364.405 2.111 20 30 FEEDRO COCCOc1ccc(C#N)cc1NC(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000415466842 559240222 /nfs/dbraw/zinc/24/02/22/559240222.db2.gz SQJBBSKVOUSDRP-UHFFFAOYSA-N 1 0 358.442 2.191 20 30 FEEDRO CCCC[C@H](C[NH3+])NC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 ZINC000415467998 559240395 /nfs/dbraw/zinc/24/03/95/559240395.db2.gz VWBKTBADKDVYIJ-CQSZACIVSA-N 1 0 360.849 3.036 20 30 FEEDRO C[C@H]1CCN(C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)[C@@H](C[NH3+])C1 ZINC000415468328 559240503 /nfs/dbraw/zinc/24/05/03/559240503.db2.gz WEWRYDUTAAMTIX-GXTWGEPZSA-N 1 0 372.860 2.988 20 30 FEEDRO CCC([NH3+])(CC)CNC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000415478527 559241725 /nfs/dbraw/zinc/24/17/25/559241725.db2.gz ZHVHEPPFHMDLDF-UHFFFAOYSA-N 1 0 356.348 2.149 20 30 FEEDRO C[C@@H]([NH3+])c1ccc(CNC(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)cc1 ZINC000415502506 559244255 /nfs/dbraw/zinc/24/42/55/559244255.db2.gz XCLWCIHHXYMSKN-CYBMUJFWSA-N 1 0 367.453 2.389 20 30 FEEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)NC[C@@H](C)C[NH3+] ZINC000415509513 559245278 /nfs/dbraw/zinc/24/52/78/559245278.db2.gz HSJHZWDDWQRWOE-ZDUSSCGKSA-N 1 0 366.421 2.309 20 30 FEEDRO C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N[C@@H](C[NH3+])C2CCCC2)cc1 ZINC000415602293 559254327 /nfs/dbraw/zinc/25/43/27/559254327.db2.gz RDQSKWWDGMNRIY-WBMJQRKESA-N 1 0 364.471 2.011 20 30 FEEDRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)Nc1ccc(S(=O)(=O)[C@@H](C)C#N)cc1 ZINC000415605910 559254634 /nfs/dbraw/zinc/25/46/34/559254634.db2.gz YDLAXJLYQWQTFM-XEZPLFJOSA-N 1 0 364.471 2.106 20 30 FEEDRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)Nc1ccccc1C#Cc1ccccc1 ZINC000415623488 559255882 /nfs/dbraw/zinc/25/58/82/559255882.db2.gz ZTQQNMGNDOPDGY-UZLBHIALSA-N 1 0 361.445 2.139 20 30 FEEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000415689342 559262113 /nfs/dbraw/zinc/26/21/13/559262113.db2.gz WQEKLWQNWGLVTG-MGPQQGTHSA-N 1 0 360.483 2.134 20 30 FEEDRO CC(C)(C)c1csc(NC(=O)C(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)c1C#N ZINC000415817275 559274353 /nfs/dbraw/zinc/27/43/53/559274353.db2.gz UXHPTGGKDHHBSV-VXGBXAGGSA-N 1 0 362.499 2.489 20 30 FEEDRO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000415856935 559278919 /nfs/dbraw/zinc/27/89/19/559278919.db2.gz GNVWWQOCOLKXSW-MRXNPFEDSA-N 1 0 359.470 2.053 20 30 FEEDRO Cc1cccc(NC(=O)C(=O)N2CCC([C@@H]3[NH2+]CC3(C)C)CC2)c1C#N ZINC000415867934 559279943 /nfs/dbraw/zinc/27/99/43/559279943.db2.gz XIXCBYFCZZWNDU-KRWDZBQOSA-N 1 0 354.454 2.042 20 30 FEEDRO N#CC[C@@H]1CC[C@H](NC(=O)Nc2ccccc2OCCN2CC[NH2+]CC2)C1 ZINC000416034175 559290268 /nfs/dbraw/zinc/29/02/68/559290268.db2.gz YXWNWJXQCBSWRO-IRXDYDNUSA-N 1 0 371.485 2.174 20 30 FEEDRO O=C(NCC#Cc1cccc(C(F)(F)F)c1)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000416942157 559339588 /nfs/dbraw/zinc/33/95/88/559339588.db2.gz JAMJRCKDJFVEMF-CABCVRRESA-N 1 0 351.372 2.308 20 30 FEEDRO O=C(NCC#Cc1cccc(C(F)(F)F)c1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000416945090 559339617 /nfs/dbraw/zinc/33/96/17/559339617.db2.gz MKNHOKVIZMIWKW-KRWDZBQOSA-N 1 0 351.372 2.452 20 30 FEEDRO Cc1cccc(NC(=O)N(CCC#N)CCC[NH+](C)C)c1S(C)(=O)=O ZINC000417318283 559357384 /nfs/dbraw/zinc/35/73/84/559357384.db2.gz LJJCRLDOYHPGRL-UHFFFAOYSA-N 1 0 366.487 2.098 20 30 FEEDRO N#Cc1ccc(N2CCC[C@@H](NC(=O)N3CCC(C[NH3+])CC3)C2)c(F)c1 ZINC000417580647 559367542 /nfs/dbraw/zinc/36/75/42/559367542.db2.gz RECQFFQYTMYTHW-MRXNPFEDSA-N 1 0 359.449 2.046 20 30 FEEDRO C=CCCCCCN(C)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418609911 559407781 /nfs/dbraw/zinc/40/77/81/559407781.db2.gz GEKCKMXXNPVCQY-CQSZACIVSA-N 1 0 350.429 2.210 20 30 FEEDRO C=CCC1(NC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CCCCC1 ZINC000418619248 559408115 /nfs/dbraw/zinc/40/81/15/559408115.db2.gz PIJNNBOPLPCTHR-AWEZNQCLSA-N 1 0 362.440 2.401 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC[C@@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000418812333 559417080 /nfs/dbraw/zinc/41/70/80/559417080.db2.gz BFUVPQXAKKFJJQ-OTWHNJEPSA-N 1 0 373.497 2.023 20 30 FEEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1 ZINC000419241346 559433768 /nfs/dbraw/zinc/43/37/68/559433768.db2.gz BXIOLFAAILMMFB-TZMCWYRMSA-N 1 0 360.408 2.423 20 30 FEEDRO C[C@H]([NH3+])c1ccc(CNC(=O)C(=O)N[C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000419297304 559435707 /nfs/dbraw/zinc/43/57/07/559435707.db2.gz YSPBWKOWEYQURG-KBPBESRZSA-N 1 0 350.422 2.072 20 30 FEEDRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1Cc1ccc(C#N)cc1Br ZINC000419346355 559438891 /nfs/dbraw/zinc/43/88/91/559438891.db2.gz VBPUCYGUXWZXPK-CHWSQXEVSA-N 1 0 352.276 2.208 20 30 FEEDRO C=C(C)[C@H](NC(=O)C(=O)N(CCC)[C@@H]1CC[NH2+]C1)c1ccc(F)c(F)c1 ZINC000419668956 559452879 /nfs/dbraw/zinc/45/28/79/559452879.db2.gz BCPFYUBTHWMBEI-PBHICJAKSA-N 1 0 365.424 2.299 20 30 FEEDRO C=C(C)[C@H](NC(=O)C(=O)N1CCC[C@@H](C)[C@H]1C[NH3+])c1ccc(F)c(F)c1 ZINC000419684467 559454051 /nfs/dbraw/zinc/45/40/51/559454051.db2.gz WJZHTDRFJRATCI-JLZZUVOBSA-N 1 0 365.424 2.284 20 30 FEEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCC1([NH3+])CCCCC1 ZINC000419813683 559460652 /nfs/dbraw/zinc/46/06/52/559460652.db2.gz HRTNPZBZJOQMKB-UHFFFAOYSA-N 1 0 356.470 2.075 20 30 FEEDRO C=CCC[C@H]1NC(=O)N(C[C@@H]2CSCC[N@@H+]2Cc2ccccc2)C1=O ZINC000419938782 559465636 /nfs/dbraw/zinc/46/56/36/559465636.db2.gz QGGPHKFJIGCYSD-IAGOWNOFSA-N 1 0 359.495 2.491 20 30 FEEDRO C=C(C)CN(Cc1ccccc1)C(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000420196598 559476173 /nfs/dbraw/zinc/47/61/73/559476173.db2.gz APGYUPBYYOYOGP-IPMKNSEASA-N 1 0 355.482 2.096 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c(Cl)c1 ZINC000420450833 559488133 /nfs/dbraw/zinc/48/81/33/559488133.db2.gz HMZWTDWGVNJGNN-KGLIPLIRSA-N 1 0 353.875 2.222 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1Cl ZINC000420459402 559488705 /nfs/dbraw/zinc/48/87/05/559488705.db2.gz QZCRSHSQBQFXOI-UONOGXRCSA-N 1 0 353.875 2.222 20 30 FEEDRO N#Cc1cncc(NCCCC[NH+]2CCN(Cc3ccccc3)CC2)n1 ZINC000420579439 559492682 /nfs/dbraw/zinc/49/26/82/559492682.db2.gz AXBUKDFXISWYFN-UHFFFAOYSA-N 1 0 350.470 2.358 20 30 FEEDRO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2C[C@@H](C)C[C@H](CO)C2)cc1 ZINC000420936139 559512402 /nfs/dbraw/zinc/51/24/02/559512402.db2.gz KKXKJPJTRALOHB-IRXDYDNUSA-N 1 0 359.470 2.282 20 30 FEEDRO CNC(=O)[C@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)C1 ZINC000420980496 559516826 /nfs/dbraw/zinc/51/68/26/559516826.db2.gz USMIHXKBWHNSJS-STQMWFEESA-N 1 0 374.510 2.141 20 30 FEEDRO N#Cc1ccc(C[NH2+]Cc2cccc(C(=O)N3CCOCC3)c2)cc1F ZINC000421320832 559539013 /nfs/dbraw/zinc/53/90/13/559539013.db2.gz CVVPIPIYPYAAKV-UHFFFAOYSA-N 1 0 353.397 2.460 20 30 FEEDRO C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000421543601 559544867 /nfs/dbraw/zinc/54/48/67/559544867.db2.gz FECLANZLIBRKJM-HKUYNNGSSA-N 1 0 357.498 2.281 20 30 FEEDRO CC(C)N(Cc1ccc(C#N)cc1)C(=O)C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000422485535 559591239 /nfs/dbraw/zinc/59/12/39/559591239.db2.gz DGVUNFBNTHEDKN-SFHVURJKSA-N 1 0 370.497 2.143 20 30 FEEDRO C[C@@H]1CCN(C(=O)C(=O)NCC(C)(C)CC#N)CC[N@@H+]1Cc1ccccc1 ZINC000422489665 559591566 /nfs/dbraw/zinc/59/15/66/559591566.db2.gz PXWZVCLKKIRGKN-QGZVFWFLSA-N 1 0 370.497 2.165 20 30 FEEDRO C=CCN(Cc1ccccc1)C(=O)C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000423126672 559620064 /nfs/dbraw/zinc/62/00/64/559620064.db2.gz SGZHDBUVTZWRBM-IBGZPJMESA-N 1 0 355.482 2.049 20 30 FEEDRO C=C(C)CN(Cc1ccccc1)C(=O)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000423357370 559626412 /nfs/dbraw/zinc/62/64/12/559626412.db2.gz ADXNEXUJVZQNPE-UHFFFAOYSA-N 1 0 355.482 2.193 20 30 FEEDRO N#CCCC[C@H]([NH3+])C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccccc1 ZINC000424137792 559655944 /nfs/dbraw/zinc/65/59/44/559655944.db2.gz MEPFJFOYKQVCPK-OALUTQOASA-N 1 0 364.449 2.374 20 30 FEEDRO CS(=O)(=O)CCCC[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000424176117 559656671 /nfs/dbraw/zinc/65/66/71/559656671.db2.gz WRNHAYDIKDUZIR-UHFFFAOYSA-N 1 0 360.483 2.378 20 30 FEEDRO N#Cc1ccc(N2CCC[C@@H](NC(=O)N[C@@H]3CCCC[C@H]3[NH3+])C2)c(F)c1 ZINC000424467772 559666510 /nfs/dbraw/zinc/66/65/10/559666510.db2.gz WHPLPDLKEPPSGE-DJIMGWMZSA-N 1 0 359.449 2.235 20 30 FEEDRO C=CCCn1cc(C(=O)N(Cc2ccncc2)C[C@@H]2CCC[N@H+]2CC)nn1 ZINC000424665172 559673035 /nfs/dbraw/zinc/67/30/35/559673035.db2.gz NFYBHAQLFHDQSG-SFHVURJKSA-N 1 0 368.485 2.376 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000424929600 559680297 /nfs/dbraw/zinc/68/02/97/559680297.db2.gz BWHODALWXZJTTI-ICSRJNTNSA-N 1 0 357.498 2.296 20 30 FEEDRO C=CCSc1ccccc1C(=O)NC1CC[NH+]([C@H]2CCN(C)C2=O)CC1 ZINC000425316801 559696467 /nfs/dbraw/zinc/69/64/67/559696467.db2.gz YOEGHOULEDWASX-KRWDZBQOSA-N 1 0 373.522 2.390 20 30 FEEDRO C=CCn1cc(CNC(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)nn1 ZINC000425444960 559702627 /nfs/dbraw/zinc/70/26/27/559702627.db2.gz CJNLXEQULAIQDY-INIZCTEOSA-N 1 0 368.485 2.489 20 30 FEEDRO C=CCn1cc(CNC(=O)N[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)nn1 ZINC000425484511 559704840 /nfs/dbraw/zinc/70/48/40/559704840.db2.gz JBZVUMRKCPMYBS-SJLPKXTDSA-N 1 0 368.485 2.174 20 30 FEEDRO CCN(C[C@H](C)C#N)C(=O)CN1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000425504377 559706442 /nfs/dbraw/zinc/70/64/42/559706442.db2.gz WAUSCIAATJUHHX-YZGWKJHDSA-N 1 0 354.498 2.201 20 30 FEEDRO CN1C(=O)NCC12CC[NH+](CC#Cc1ccc(OC(F)(F)F)cc1)CC2 ZINC000425535011 559708336 /nfs/dbraw/zinc/70/83/36/559708336.db2.gz CIMIXHISERCRAS-UHFFFAOYSA-N 1 0 367.371 2.426 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000425696121 559715062 /nfs/dbraw/zinc/71/50/62/559715062.db2.gz ZUYCVOQGNSZZML-PXNSSMCTSA-N 1 0 373.497 2.034 20 30 FEEDRO C[C@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000425886983 559724102 /nfs/dbraw/zinc/72/41/02/559724102.db2.gz QXKKRNVASYVPGB-QAPCUYQASA-N 1 0 368.481 2.211 20 30 FEEDRO C[N@H+](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)[C@@H]1CCCC[C@H]1O ZINC000426209187 559731500 /nfs/dbraw/zinc/73/15/00/559731500.db2.gz HPUORSPZRVQXGB-IAGOWNOFSA-N 1 0 368.399 2.408 20 30 FEEDRO Cc1ncc(S(=O)(=O)N2c3ccccc3CC[C@H]2C[NH+](C)C)cc1C#N ZINC000427781222 559762308 /nfs/dbraw/zinc/76/23/08/559762308.db2.gz IEHWJDPDYPXAGX-KRWDZBQOSA-N 1 0 370.478 2.333 20 30 FEEDRO Cc1ncc(S(=O)(=O)N2C[C@H]3CCC[N@@H+]3Cc3ccccc32)cc1C#N ZINC000427789477 559762627 /nfs/dbraw/zinc/76/26/27/559762627.db2.gz OBESYCHBEJDQJQ-QGZVFWFLSA-N 1 0 368.462 2.435 20 30 FEEDRO C=CCC[C@@H](CC)[NH2+]C1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 ZINC000428382106 559774391 /nfs/dbraw/zinc/77/43/91/559774391.db2.gz OKJZZFKSXGJCQS-CQSZACIVSA-N 1 0 366.483 2.165 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N[C@@H]1CC(=O)N(C(C)(C)C)C1)C(C)C ZINC000428908830 559785684 /nfs/dbraw/zinc/78/56/84/559785684.db2.gz VKSUWEWBOAYVDO-SJORKVTESA-N 1 0 364.534 2.384 20 30 FEEDRO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[NH2+][C@@H]1Cc2cccc(O)c2C1 ZINC000429303592 559795231 /nfs/dbraw/zinc/79/52/31/559795231.db2.gz DKYCTQZEHIOLED-MRXNPFEDSA-N 1 0 373.416 2.145 20 30 FEEDRO C=CC[N@@H+](C)CCN(CC)Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1 ZINC000429699834 559804287 /nfs/dbraw/zinc/80/42/87/559804287.db2.gz GZDOXIRQXNPMIJ-UHFFFAOYSA-N 1 0 360.458 2.292 20 30 FEEDRO C[C@@H]1CC[C@H]([N@H+](CCO)CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1 ZINC000429773992 559805414 /nfs/dbraw/zinc/80/54/14/559805414.db2.gz SAFLQQHEOBJAPG-QAPCUYQASA-N 1 0 367.453 2.165 20 30 FEEDRO CC(C)CN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(C#N)cc1Cl ZINC000429808368 559805962 /nfs/dbraw/zinc/80/59/62/559805962.db2.gz KOUDKPDXXOTUJA-UHFFFAOYSA-N 1 0 350.850 2.196 20 30 FEEDRO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](C(=O)N(C)c2ccccc2)C1 ZINC000430310089 559817558 /nfs/dbraw/zinc/81/75/58/559817558.db2.gz YHFQVRPBBJHKCX-LLGFUMIMSA-N 1 0 370.497 2.414 20 30 FEEDRO COC(=O)C1CCN(C(=O)C[NH2+][C@@H](CCCC#N)c2ccccc2)CC1 ZINC000433023892 559870107 /nfs/dbraw/zinc/87/01/07/559870107.db2.gz UHXYRFBINOIMKX-SFHVURJKSA-N 1 0 357.454 2.423 20 30 FEEDRO N#Cc1cccc(C2(C(=O)N3CC[NH+](CC4CCOCC4)CC3)CC2)c1 ZINC000435075187 559915753 /nfs/dbraw/zinc/91/57/53/559915753.db2.gz BLPJGWHERALSEL-UHFFFAOYSA-N 1 0 353.466 2.161 20 30 FEEDRO CC[NH+](CC)CCOC1CCN(S(=O)(=O)c2ccc(C#N)s2)CC1 ZINC000435423442 559922586 /nfs/dbraw/zinc/92/25/86/559922586.db2.gz QOXKDRFLYKDZFZ-UHFFFAOYSA-N 1 0 371.528 2.131 20 30 FEEDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)C1(c2cccc(C#N)c2)CC1 ZINC000437956400 559972120 /nfs/dbraw/zinc/97/21/20/559972120.db2.gz OYOYOBZCJAXXIH-GUDVDZBRSA-N 1 0 353.466 2.300 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1C[C@H](C)O[C@H](COC)C1)C(C)C ZINC000439699984 559999107 /nfs/dbraw/zinc/99/91/07/559999107.db2.gz QVIVCHADKQWOFM-OKZBNKHCSA-N 1 0 353.507 2.130 20 30 FEEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](Cn1ccnc1)c1ccc(C)cc1C ZINC000441388519 560031092 /nfs/dbraw/zinc/03/10/92/560031092.db2.gz RZOAWLDGNMUNCZ-AEFFLSMTSA-N 1 0 369.469 2.231 20 30 FEEDRO C[NH+](C)CC1CCC(NC(=O)C(=O)Nc2cc(C#N)ccc2Cl)CC1 ZINC000441764578 560038823 /nfs/dbraw/zinc/03/88/23/560038823.db2.gz JFGFWXOBJHJXKL-UHFFFAOYSA-N 1 0 362.861 2.387 20 30 FEEDRO C[C@H](C#N)CN(C(=O)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1)C1CC1 ZINC000441927883 560041153 /nfs/dbraw/zinc/04/11/53/560041153.db2.gz XSMZZPLOEZFYLO-MRXNPFEDSA-N 1 0 368.481 2.414 20 30 FEEDRO C=CCN1C(=O)c2ccc(C(=O)N3CCC([C@@H]4CCC[NH2+]4)CC3)cc2C1=O ZINC000442531202 560052497 /nfs/dbraw/zinc/05/24/97/560052497.db2.gz TVSLROBSBLPXJL-SFHVURJKSA-N 1 0 367.449 2.073 20 30 FEEDRO C[C@@H](CC[NH+](C)C)NC(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000444152127 560103208 /nfs/dbraw/zinc/10/32/08/560103208.db2.gz VDKMJRLJKFMHSF-AWEZNQCLSA-N 1 0 363.893 2.383 20 30 FEEDRO C[C@@H](c1ccc(-c2ccc(C#N)cc2CO)cc1)[NH+]1CCN(CCO)CC1 ZINC000527587320 562296573 /nfs/dbraw/zinc/29/65/73/562296573.db2.gz JOCVDVKHEFSHJK-KRWDZBQOSA-N 1 0 365.477 2.388 20 30 FEEDRO C=CC[C@@H]1[N@@H+](CC(=O)Nc2cccc(S(N)(=O)=O)c2)CCCC1(C)C ZINC000444775799 560120514 /nfs/dbraw/zinc/12/05/14/560120514.db2.gz OBLZUQMWSHBQPE-INIZCTEOSA-N 1 0 365.499 2.339 20 30 FEEDRO C[C@H]1[C@H](NC(=O)NC2CCC(Oc3ncccc3C#N)CC2)CCC[N@@H+]1C ZINC000446629703 560148807 /nfs/dbraw/zinc/14/88/07/560148807.db2.gz VXXUCUGMCMINHH-IWCVFHTOSA-N 1 0 371.485 2.425 20 30 FEEDRO CC1(C)CCC[N@H+](CCNC(=O)C(=O)Nc2ccc(C#N)cc2Cl)C1 ZINC000447425330 560162207 /nfs/dbraw/zinc/16/22/07/560162207.db2.gz CIXYZHBMTLSQDO-UHFFFAOYSA-N 1 0 362.861 2.388 20 30 FEEDRO N#Cc1cccc(-c2cc(C(=O)NCCCC[N@H+]3CCC[C@@H]3CO)on2)c1 ZINC000447552545 560164306 /nfs/dbraw/zinc/16/43/06/560164306.db2.gz NZPSBOVLUUJKAT-QGZVFWFLSA-N 1 0 368.437 2.180 20 30 FEEDRO Cc1cc(N(CCC#N)C(=O)C[NH2+][C@H](CO)[C@@H]2CCCO2)ccc1Cl ZINC000447911306 560172681 /nfs/dbraw/zinc/17/26/81/560172681.db2.gz ZNOUBGYGDKMMKS-SJORKVTESA-N 1 0 365.861 2.025 20 30 FEEDRO CCOc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000448326048 560184800 /nfs/dbraw/zinc/18/48/00/560184800.db2.gz VWAXGDULSMWTCK-KRWDZBQOSA-N 1 0 372.469 2.132 20 30 FEEDRO COc1cc(CNc2ccc(C(=O)NCC[NH+](C)C)cc2)ccc1C#N ZINC000527767050 562303176 /nfs/dbraw/zinc/30/31/76/562303176.db2.gz KGKDFQNCZQTVRQ-UHFFFAOYSA-N 1 0 352.438 2.470 20 30 FEEDRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)c2ccc(C#N)n2C)c1 ZINC000448714268 560196180 /nfs/dbraw/zinc/19/61/80/560196180.db2.gz ONPUOJDFJPJSCI-UHFFFAOYSA-N 1 0 367.453 2.221 20 30 FEEDRO CC1(C#N)CCC([NH2+]C[C@H]2CCCN(c3nccn4cnnc34)C2)CC1 ZINC000449186985 560219433 /nfs/dbraw/zinc/21/94/33/560219433.db2.gz CVNFGTZOYAESQX-MDCZIUGASA-N 1 0 353.474 2.403 20 30 FEEDRO CC1(C#N)CCC([NH2+]C[C@@H]2CCCN(c3nccn4cnnc34)C2)CC1 ZINC000449186984 560219659 /nfs/dbraw/zinc/21/96/59/560219659.db2.gz CVNFGTZOYAESQX-LYGPFTKASA-N 1 0 353.474 2.403 20 30 FEEDRO CC[N@@H+]1CC[C@@H](CNC(=O)COc2ccc(C#N)c(Br)c2)C1 ZINC000449792286 560240223 /nfs/dbraw/zinc/24/02/23/560240223.db2.gz WFRIBRXCWPKODI-LBPRGKRZSA-N 1 0 366.259 2.158 20 30 FEEDRO N#Cc1c(Br)cccc1OCC(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000449803960 560240605 /nfs/dbraw/zinc/24/06/05/560240605.db2.gz LHAWNEDZTMAVMD-NSHDSACASA-N 1 0 364.243 2.052 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@@H](c1cccs1)N1CCOCC1 ZINC000450041755 560249018 /nfs/dbraw/zinc/24/90/18/560249018.db2.gz KOIHSYCRKYKDHH-PMPSAXMXSA-N 1 0 350.484 2.171 20 30 FEEDRO Cn1c(C#N)ccc1C(=O)Nc1cccc(C[NH+]2CCC(CO)CC2)c1 ZINC000450129545 560251452 /nfs/dbraw/zinc/25/14/52/560251452.db2.gz AJGSUNXNPHZISI-UHFFFAOYSA-N 1 0 352.438 2.353 20 30 FEEDRO CCc1cc(N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc[nH+]1 ZINC000450220058 560254243 /nfs/dbraw/zinc/25/42/43/560254243.db2.gz ZUIXNYAIILCIFU-UHFFFAOYSA-N 1 0 356.451 2.027 20 30 FEEDRO CS[C@@H]1CN(C(=O)c2cccc(C#N)c2Br)C[C@@H]1[NH+](C)C ZINC000450265960 560256459 /nfs/dbraw/zinc/25/64/59/560256459.db2.gz MMMHQYKBIALQJD-QWHCGFSZSA-N 1 0 368.300 2.438 20 30 FEEDRO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)[C@@]2(C#N)C[C@@H]2C)cc1OC ZINC000450278204 560256743 /nfs/dbraw/zinc/25/67/43/560256743.db2.gz UDKBZMIPAAZHED-VBKZILBWSA-N 1 0 372.469 2.255 20 30 FEEDRO CC1CC[NH+](C[C@H](O)CNc2ncc(Br)cc2C#N)CC1 ZINC000450331809 560258920 /nfs/dbraw/zinc/25/89/20/560258920.db2.gz WEOUQHMEFNATTI-CQSZACIVSA-N 1 0 353.264 2.220 20 30 FEEDRO CC(=O)Nc1ccc(C[NH+]2CCC(Nc3nccc(C#N)n3)CC2)cc1 ZINC000450785011 560273277 /nfs/dbraw/zinc/27/32/77/560273277.db2.gz MHOHSWVFEXRTIJ-UHFFFAOYSA-N 1 0 350.426 2.383 20 30 FEEDRO CCCCO[C@@H]1C[C@H]([NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)C1(C)C ZINC000450964492 560280257 /nfs/dbraw/zinc/28/02/57/560280257.db2.gz CSTHIIKRYGAEMA-JKSUJKDBSA-N 1 0 365.499 2.300 20 30 FEEDRO N#CCc1ccc(S(=O)(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)c(Cl)c1 ZINC000451044472 560284417 /nfs/dbraw/zinc/28/44/17/560284417.db2.gz PZNNEIUFMJTHQP-ZDUSSCGKSA-N 1 0 353.875 2.169 20 30 FEEDRO CN(CC1CC[NH+](C)CC1)S(=O)(=O)c1ccc(CC#N)cc1Cl ZINC000451164693 560290740 /nfs/dbraw/zinc/29/07/40/560290740.db2.gz IBJWWYMEADEOIX-UHFFFAOYSA-N 1 0 355.891 2.368 20 30 FEEDRO N#CCC1(CS(=O)(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)CC1 ZINC000451168357 560290940 /nfs/dbraw/zinc/29/09/40/560290940.db2.gz VRHNCSGAKRHGPV-GOSISDBHSA-N 1 0 361.511 2.164 20 30 FEEDRO N#Cc1cc(F)ccc1CS(=O)(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000451266467 560297208 /nfs/dbraw/zinc/29/72/08/560297208.db2.gz PAXDACUMRMDFCE-SFHVURJKSA-N 1 0 365.474 2.381 20 30 FEEDRO CO[C@H]1C[C@@H]([NH2+]CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1(C)C ZINC000451512399 560311203 /nfs/dbraw/zinc/31/12/03/560311203.db2.gz XLJQSONYMDTKTB-CVEARBPZSA-N 1 0 353.426 2.086 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]CC(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000451675256 560321383 /nfs/dbraw/zinc/32/13/83/560321383.db2.gz BWVWVBLOSYHZQK-MSOLQXFVSA-N 1 0 363.889 2.312 20 30 FEEDRO CC[N@@H+]1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)[C@H](C)C1 ZINC000451678783 560321507 /nfs/dbraw/zinc/32/15/07/560321507.db2.gz NRBIYVODYJRFSZ-HIFRSBDPSA-N 1 0 374.872 2.117 20 30 FEEDRO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@H](CCCO)C2)cc1 ZINC000452128678 560353181 /nfs/dbraw/zinc/35/31/81/560353181.db2.gz MKNAANCIEOBVMM-KRWDZBQOSA-N 1 0 359.470 2.426 20 30 FEEDRO C=C(C)Cn1c([C@H](C)OCCOC)nnc1N(C)[C@H]1CC[N@@H+](C(C)C)C1 ZINC000453448476 560386959 /nfs/dbraw/zinc/38/69/59/560386959.db2.gz CLUYYQUWHSYBFC-IRXDYDNUSA-N 1 0 365.522 2.497 20 30 FEEDRO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1ccc(CC#N)cc1Cl ZINC000453640078 560392714 /nfs/dbraw/zinc/39/27/14/560392714.db2.gz GKLLJZQISXWWSF-GFCCVEGCSA-N 1 0 350.850 2.191 20 30 FEEDRO Cc1cc(C#N)cc(NC(=O)C(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000453654055 560393708 /nfs/dbraw/zinc/39/37/08/560393708.db2.gz HQBWQYFTBNECGN-INIZCTEOSA-N 1 0 354.454 2.140 20 30 FEEDRO C=C[C@@H](C)NC(=O)C(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1 ZINC000453681380 560396322 /nfs/dbraw/zinc/39/63/22/560396322.db2.gz UTTTYUXRANGILA-GFCCVEGCSA-N 1 0 365.861 2.442 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000453726116 560399897 /nfs/dbraw/zinc/39/98/97/560399897.db2.gz DGSHITHWLQKMDA-IPELMVKDSA-N 1 0 371.481 2.271 20 30 FEEDRO Cc1cc(C#N)cc(NC(=O)C(=O)N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)c1 ZINC000453767088 560402744 /nfs/dbraw/zinc/40/27/44/560402744.db2.gz SBWVONVZCVGKRV-OAHLLOKOSA-N 1 0 354.454 2.138 20 30 FEEDRO C=CCC[C@@H](CO)NC(=O)C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000454049622 560424901 /nfs/dbraw/zinc/42/49/01/560424901.db2.gz CNTDSFXSSYSFHK-LPHOPBHVSA-N 1 0 373.497 2.300 20 30 FEEDRO C[N@H+](CCCCNC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C)C1CC1 ZINC000454101860 560429332 /nfs/dbraw/zinc/42/93/32/560429332.db2.gz KZLOGZKNVRZSFA-UHFFFAOYSA-N 1 0 359.474 2.044 20 30 FEEDRO CC[C@@H]1C[N@H+](CC)CCN1C(=O)[C@H]1CCCN(c2nc(C)ccc2C#N)C1 ZINC000456393318 560519056 /nfs/dbraw/zinc/51/90/56/560519056.db2.gz XVVUIMJQICMJMD-RBUKOAKNSA-N 1 0 369.513 2.421 20 30 FEEDRO C=CCC[C@H](NC(=O)c1ccc(N2CC[NH+](CC)CC2)cc1)C(=O)OCC ZINC000456620076 560526017 /nfs/dbraw/zinc/52/60/17/560526017.db2.gz CIQVYPGLXPBXHQ-IBGZPJMESA-N 1 0 373.497 2.456 20 30 FEEDRO C[NH+]1CCN(Cc2ccc(C(=O)NCc3ccc(C#N)c(F)c3)cc2)CC1 ZINC000456825595 560533940 /nfs/dbraw/zinc/53/39/40/560533940.db2.gz BARGCUQQZDIKMV-UHFFFAOYSA-N 1 0 366.440 2.375 20 30 FEEDRO C=CCC(C)(C)CNC(=O)N1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000458805785 560649422 /nfs/dbraw/zinc/64/94/22/560649422.db2.gz AXXANJUVQSXQSK-GOSISDBHSA-N 1 0 366.550 2.025 20 30 FEEDRO C=CCN(Cc1ccccc1)C(=O)C(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000459995878 560727255 /nfs/dbraw/zinc/72/72/55/560727255.db2.gz OPBVCDNNBQSSLG-FQEVSTJZSA-N 1 0 369.509 2.392 20 30 FEEDRO N#C[C@H]1CCC[C@H]1NC(=O)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000461767814 560782527 /nfs/dbraw/zinc/78/25/27/560782527.db2.gz BRYJNYGHNNMZFQ-SJLPKXTDSA-N 1 0 354.454 2.072 20 30 FEEDRO C[N@H+](CCc1cccc(NC(=O)C(=O)N[C@@H]2CCC[C@H]2C#N)c1)C1CC1 ZINC000461775555 560782760 /nfs/dbraw/zinc/78/27/60/560782760.db2.gz LAQZSPRDMULBIS-MAUKXSAKSA-N 1 0 354.454 2.070 20 30 FEEDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc(C#N)cc2OC)C[C@H]1C ZINC000464420365 560841240 /nfs/dbraw/zinc/84/12/40/560841240.db2.gz PTEPWNAPEQHZRI-HIFRSBDPSA-N 1 0 351.472 2.060 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC[C@H](C(=O)OC)C1)C(C)C ZINC000465551402 560867946 /nfs/dbraw/zinc/86/79/46/560867946.db2.gz WLXDGNDTESACNJ-DLBZAZTESA-N 1 0 351.491 2.280 20 30 FEEDRO CC[C@@H](CO)[N@H+](CC(=O)NCc1ccc(C#N)cc1)Cc1ccccc1 ZINC000467179059 560905742 /nfs/dbraw/zinc/90/57/42/560905742.db2.gz DOWIXPVJOSZCHW-FQEVSTJZSA-N 1 0 351.450 2.448 20 30 FEEDRO C=CCOCCC[N@H+]1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000470724885 560988138 /nfs/dbraw/zinc/98/81/38/560988138.db2.gz WUPDWYUWXBQCNO-UHFFFAOYSA-N 1 0 356.463 2.115 20 30 FEEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+]2CCC[C@H]2CO)c1C#N ZINC000472236429 561021632 /nfs/dbraw/zinc/02/16/32/561021632.db2.gz DTOPAWRRYCMIJU-INIZCTEOSA-N 1 0 370.453 2.403 20 30 FEEDRO C[NH+](C)CC[C@](C)(O)CNC(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000473267809 561046022 /nfs/dbraw/zinc/04/60/22/561046022.db2.gz FWEDEPBYTXZWAC-FQEVSTJZSA-N 1 0 371.437 2.163 20 30 FEEDRO C[NH+](C)CC[C@](C)(O)CNC(=O)c1occc1COc1cccc(C#N)c1 ZINC000473276188 561046206 /nfs/dbraw/zinc/04/62/06/561046206.db2.gz SWPQATOXNSVOBJ-FQEVSTJZSA-N 1 0 371.437 2.163 20 30 FEEDRO CCN(CCC[NH+]1CCN(c2cccc(C#N)n2)CC1)CC(F)(F)F ZINC000475128592 561091031 /nfs/dbraw/zinc/09/10/31/561091031.db2.gz MMIICNFCYTUWQY-UHFFFAOYSA-N 1 0 355.408 2.350 20 30 FEEDRO C[NH+](C)CCn1cc(NC(=O)C[C@H](CC#N)c2ccccc2)ccc1=O ZINC000476503391 561121046 /nfs/dbraw/zinc/12/10/46/561121046.db2.gz JLMFOQCMWKXMPV-KRWDZBQOSA-N 1 0 352.438 2.436 20 30 FEEDRO N#Cc1ccc([C@@H]([NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])C(N)=O)cc1 ZINC000477223280 561139707 /nfs/dbraw/zinc/13/97/07/561139707.db2.gz PHPMZGSKYRPXPG-MRXNPFEDSA-N 1 0 358.785 2.479 20 30 FEEDRO CC1([NH+]2CCOCC2)CCN(c2cccc(-n3cccn3)c2C#N)CC1 ZINC000528190401 562318235 /nfs/dbraw/zinc/31/82/35/562318235.db2.gz LZDIMUGNGSRHDW-UHFFFAOYSA-N 1 0 351.454 2.435 20 30 FEEDRO Cc1ccccc1C[NH+]1CCN(C[C@H](O)COc2ccccc2C#N)CC1 ZINC000528341818 562323646 /nfs/dbraw/zinc/32/36/46/562323646.db2.gz XTMUWUZSMFDHSM-NRFANRHFSA-N 1 0 365.477 2.424 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)NC[C@H]2CC[N@@H+]2C2CCCCC2)c(F)c1 ZINC000528470744 562330799 /nfs/dbraw/zinc/33/07/99/562330799.db2.gz BCNOQZQMICHADJ-OAHLLOKOSA-N 1 0 351.447 2.383 20 30 FEEDRO N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@H](Oc2ncccc2F)C1 ZINC000528480958 562331487 /nfs/dbraw/zinc/33/14/87/562331487.db2.gz NBFOMHMTORLUHD-IRXDYDNUSA-N 1 0 371.412 2.375 20 30 FEEDRO C[N@@H+]1CCN(C[C@H](O)COc2ccccc2C#N)C[C@@H]1Cc1ccccc1 ZINC000528495055 562332386 /nfs/dbraw/zinc/33/23/86/562332386.db2.gz CGDBNWSTSCDEHQ-SFTDATJTSA-N 1 0 365.477 2.157 20 30 FEEDRO CC1([NH+]2CCOCC2)CCN(Cc2nnc(-c3cccc(C#N)c3)o2)CC1 ZINC000528728273 562344329 /nfs/dbraw/zinc/34/43/29/562344329.db2.gz MBKNCWODYVSYBJ-UHFFFAOYSA-N 1 0 367.453 2.295 20 30 FEEDRO N#Cc1cnn(-c2ccc(C(=O)NC[C@@H]3CC[N@@H+]3C3CCCC3)cc2)c1N ZINC000530023525 562394661 /nfs/dbraw/zinc/39/46/61/562394661.db2.gz FWYAIPLQODDZPR-SFHVURJKSA-N 1 0 364.453 2.073 20 30 FEEDRO N#Cc1ccccc1OC[C@@H](O)C[NH2+][C@@H]1CCN(c2ccc(F)cc2F)C1 ZINC000530231634 562403154 /nfs/dbraw/zinc/40/31/54/562403154.db2.gz SBXMUVGVXQMUTN-SJORKVTESA-N 1 0 373.403 2.445 20 30 FEEDRO N#Cc1ccccc1OC[C@H](O)C[NH2+][C@@H]1CCN(c2ccc(F)cc2F)C1 ZINC000530231632 562403156 /nfs/dbraw/zinc/40/31/56/562403156.db2.gz SBXMUVGVXQMUTN-IAGOWNOFSA-N 1 0 373.403 2.445 20 30 FEEDRO N#CCN1CCC[C@@H](CNC(=O)c2ccc(C[NH+]3CCSCC3)cc2)C1 ZINC000530880840 562427077 /nfs/dbraw/zinc/42/70/77/562427077.db2.gz MGEBUNLWACXTEA-SFHVURJKSA-N 1 0 372.538 2.201 20 30 FEEDRO C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)Cc1cccc(C#N)c1 ZINC000531152512 562436543 /nfs/dbraw/zinc/43/65/43/562436543.db2.gz HUTLAJOQFQGZIY-GOSISDBHSA-N 1 0 362.477 2.428 20 30 FEEDRO C[N@H+](CC1CC1)C[C@H]1CCN(S(=O)(=O)c2ccc(C#N)cc2F)C1 ZINC000531282426 562440540 /nfs/dbraw/zinc/44/05/40/562440540.db2.gz DCNNZQYCCQDDRQ-OAHLLOKOSA-N 1 0 351.447 2.050 20 30 FEEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000531283688 562440530 /nfs/dbraw/zinc/44/05/30/562440530.db2.gz KDVXVODOYICVAK-HUUCEWRRSA-N 1 0 374.510 2.335 20 30 FEEDRO CCN(CC)C(=O)C1([NH2+]CC(=O)N(CC)C[C@H](C)C#N)CCCCC1 ZINC000532707314 562486290 /nfs/dbraw/zinc/48/62/90/562486290.db2.gz VUBYZQYXIYFRDW-MRXNPFEDSA-N 1 0 350.507 2.155 20 30 FEEDRO N#Cc1ccc(F)c(CS(=O)(=O)N2CC[C@H]([NH+]3CCCCC3)C2)c1 ZINC000535042647 562549252 /nfs/dbraw/zinc/54/92/52/562549252.db2.gz MDHJRCKSYUHTLM-INIZCTEOSA-N 1 0 351.447 2.087 20 30 FEEDRO C=CCN1C(=O)c2ccc(C(=O)N(C)[C@H](C)C3CC[NH+](C)CC3)cc2C1=O ZINC000540891154 562595800 /nfs/dbraw/zinc/59/58/00/562595800.db2.gz RUUCNURJIUQRFS-CQSZACIVSA-N 1 0 369.465 2.271 20 30 FEEDRO C[C@@H](C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)[NH+]1CCCCCC1 ZINC000540956591 562598311 /nfs/dbraw/zinc/59/83/11/562598311.db2.gz OIVMHGXPLILFES-LPHOPBHVSA-N 1 0 368.481 2.434 20 30 FEEDRO N#CCC1CC[NH+](CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)CC1 ZINC000541021725 562600497 /nfs/dbraw/zinc/60/04/97/562600497.db2.gz REUROADOZUMXLG-KRWDZBQOSA-N 1 0 371.510 2.083 20 30 FEEDRO C[C@@H](C(=O)NC(=O)Nc1ccc2c(c1)OCCO2)[NH+]1CCC(CC#N)CC1 ZINC000541023192 562600632 /nfs/dbraw/zinc/60/06/32/562600632.db2.gz BWGLIJCCRUZAEJ-ZDUSSCGKSA-N 1 0 372.425 2.120 20 30 FEEDRO N#CCCCNC(=O)NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000541320898 562609040 /nfs/dbraw/zinc/60/90/40/562609040.db2.gz OGWPSUINXQZFFM-UHFFFAOYSA-N 1 0 363.893 2.455 20 30 FEEDRO N#CCC1CC[NH+](CC(=O)NCc2ccccc2CN2CCCC2=O)CC1 ZINC000541952986 562624267 /nfs/dbraw/zinc/62/42/67/562624267.db2.gz ZBSPLEAQJOYALA-UHFFFAOYSA-N 1 0 368.481 2.051 20 30 FEEDRO C[NH+](C)C1(CNC(=O)N2CCN(c3cccc(C#N)n3)CC2)CCCCC1 ZINC000546216237 562635308 /nfs/dbraw/zinc/63/53/08/562635308.db2.gz BXDUCNCSPUQDEF-UHFFFAOYSA-N 1 0 370.501 2.049 20 30 FEEDRO C[C@@H]1CN(C(=O)N2CCCN(c3ccccc3C#N)CC2)C[C@@]1(C)C[NH3+] ZINC000568059730 567823522 /nfs/dbraw/zinc/82/35/22/567823522.db2.gz CUJMFOZIEUKQPL-OXQOHEQNSA-N 1 0 355.486 2.107 20 30 FEEDRO C=CCOc1ccccc1CNC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000636699239 567837622 /nfs/dbraw/zinc/83/76/22/567837622.db2.gz RNRLOMDLQHENPJ-SFHVURJKSA-N 1 0 371.481 2.001 20 30 FEEDRO CCc1cc(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)n(C)n1 ZINC000602141169 567935266 /nfs/dbraw/zinc/93/52/66/567935266.db2.gz IKTKDPXUKWWDSS-UHFFFAOYSA-N 1 0 351.454 2.271 20 30 FEEDRO N#C[C@H]1CC[C@@H](NC(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@]23CCOC3)C1 ZINC000602166862 567946551 /nfs/dbraw/zinc/94/65/51/567946551.db2.gz LDUOKQHKGYSDMO-PXCRPINLSA-N 1 0 353.466 2.334 20 30 FEEDRO CC(C)N1C[C@H](NC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)CC1=O ZINC000330262964 567959173 /nfs/dbraw/zinc/95/91/73/567959173.db2.gz VXGWYCVZFSSUED-LJQANCHMSA-N 1 0 372.513 2.412 20 30 FEEDRO CN(C[C@H](O)COc1cc(Cl)cc(Cl)c1)C(=O)[C@H]([NH3+])CCCC#N ZINC000602580640 567993626 /nfs/dbraw/zinc/99/36/26/567993626.db2.gz XZUICPGZSNAMBJ-DZGCQCFKSA-N 1 0 374.268 2.213 20 30 FEEDRO Cc1ccc(Cl)c(OC[C@@H](O)C[N@@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)c1 ZINC000602853891 568001842 /nfs/dbraw/zinc/00/18/42/568001842.db2.gz MOYFUOUTIYWMIY-XHSDSOJGSA-N 1 0 351.878 2.306 20 30 FEEDRO C[C@@H]1C[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C[C@H](C)N1CC#N ZINC000602859833 568049289 /nfs/dbraw/zinc/04/92/89/568049289.db2.gz GVYPCKNBZNPNJJ-OKILXGFUSA-N 1 0 371.510 2.355 20 30 FEEDRO C[C@H](C(=O)N(CCC#N)c1ccccc1)N1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC000602860883 568049389 /nfs/dbraw/zinc/04/93/89/568049389.db2.gz JQIUSWYBZWLIAD-KZNAEPCWSA-N 1 0 353.470 2.240 20 30 FEEDRO C[C@H](C(=O)N(CCC#N)c1ccccc1)N1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000602860885 568049486 /nfs/dbraw/zinc/04/94/86/568049486.db2.gz JQIUSWYBZWLIAD-OKZBNKHCSA-N 1 0 353.470 2.240 20 30 FEEDRO C[C@@H](C(=O)N(CCC#N)c1ccccc1)n1cc(C[C@H]2CCC[NH2+]C2)nn1 ZINC000603181470 568074053 /nfs/dbraw/zinc/07/40/53/568074053.db2.gz XSPQMJDNLUVPKH-DLBZAZTESA-N 1 0 366.469 2.328 20 30 FEEDRO CC1(C)CC(NC(=O)N2CCN(c3cnccc3C#N)CC2)CC(C)(C)[NH2+]1 ZINC000568823777 568230458 /nfs/dbraw/zinc/23/04/58/568230458.db2.gz HRAUPXCYWKIVOX-UHFFFAOYSA-N 1 0 370.501 2.094 20 30 FEEDRO CN1CC[C@H]([NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000569037148 568277400 /nfs/dbraw/zinc/27/74/00/568277400.db2.gz JCIBYRJQWUSWRH-IPMKNSEASA-N 1 0 370.403 2.398 20 30 FEEDRO CC(C)[C@@H](C#N)N1CC[NH+](CCC(=O)N2CCc3sccc3C2)CC1 ZINC000609486775 568346502 /nfs/dbraw/zinc/34/65/02/568346502.db2.gz RBLCTCNBSBHLTM-QGZVFWFLSA-N 1 0 360.527 2.189 20 30 FEEDRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)Nc1ccc(C#N)cc1Cl ZINC000569592079 568408790 /nfs/dbraw/zinc/40/87/90/568408790.db2.gz RYCPOHRDUYCLRC-ZDUSSCGKSA-N 1 0 362.861 2.387 20 30 FEEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000570201422 568460963 /nfs/dbraw/zinc/46/09/63/568460963.db2.gz LIDMPTNZNIAVTP-UHFFFAOYSA-N 1 0 350.422 2.493 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2CCCC[C@H]2CC[NH3+])cc1C(F)(F)F ZINC000570513881 568483525 /nfs/dbraw/zinc/48/35/25/568483525.db2.gz DDZUNQSGEKVBTH-LBPRGKRZSA-N 1 0 361.389 2.469 20 30 FEEDRO C=CCN(CC=C)C(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000637185026 568534149 /nfs/dbraw/zinc/53/41/49/568534149.db2.gz DUQZFCZOOSPAJN-PKOBYXMFSA-N 1 0 355.482 2.071 20 30 FEEDRO C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)C(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000820414267 599389961 /nfs/dbraw/zinc/38/99/61/599389961.db2.gz XFJBDYZAAZHPPM-QWHCGFSZSA-N 1 0 361.409 2.416 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](C)c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000819723035 599434960 /nfs/dbraw/zinc/43/49/60/599434960.db2.gz VHNCNTHMCXMCFN-AWEZNQCLSA-N 1 0 369.473 2.267 20 30 FEEDRO C=CCCCC(=O)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000819734437 606249080 /nfs/dbraw/zinc/24/90/80/606249080.db2.gz NUISVRKGTXPKNA-UHFFFAOYSA-N 1 0 354.458 2.257 20 30 FEEDRO N#Cc1ccc([C@@H](O)C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C2CC2)cc1 ZINC000822825949 606889963 /nfs/dbraw/zinc/88/99/63/606889963.db2.gz RDZHFESVDUSOHG-IBGZPJMESA-N 1 0 360.421 2.436 20 30 FEEDRO COc1cc(C#N)ccc1OCC[NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000826176928 608492946 /nfs/dbraw/zinc/49/29/46/608492946.db2.gz KGUOTOIYGCUWEN-CYBMUJFWSA-N 1 0 364.409 2.477 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(Cl)c(F)c2)CC1 ZINC000813458960 674747822 /nfs/dbraw/zinc/74/78/22/674747822.db2.gz KIRCXRAHOGAHOL-UHFFFAOYSA-N 1 0 351.809 2.022 20 30 FEEDRO C=C(C[NH+](C)C)C(=O)N1CCC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000813648455 674765007 /nfs/dbraw/zinc/76/50/07/674765007.db2.gz GVUOSPCJNCABLD-LJQANCHMSA-N 1 0 351.491 2.354 20 30 FEEDRO C[C@H](C(=O)N1CCN([C@H](C#N)c2cccc(Cl)c2)CC1)[NH+]1CC(C)C1 ZINC000564351617 674999631 /nfs/dbraw/zinc/99/96/31/674999631.db2.gz PWVNOPKVKBNDLI-CRAIPNDOSA-N 1 0 360.889 2.389 20 30 FEEDRO CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)CCN1c1ncc(C#N)cc1Cl ZINC001048587777 675011317 /nfs/dbraw/zinc/01/13/17/675011317.db2.gz XWRNIQKBVOBVTA-ARFHVFGLSA-N 1 0 361.877 2.174 20 30 FEEDRO CC(C)[C@@](C)(CO)[NH2+]CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000564415039 675013973 /nfs/dbraw/zinc/01/39/73/675013973.db2.gz MFYHQIKOBKHIOM-QGZVFWFLSA-N 1 0 356.388 2.170 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3ccnc(Cl)c3)C[C@@H]2C1 ZINC001049069351 675022256 /nfs/dbraw/zinc/02/22/56/675022256.db2.gz DORDVNMNCMMLAQ-TWMKSMIVSA-N 1 0 361.873 2.216 20 30 FEEDRO C=C(Br)CNC(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000073096633 670499934 /nfs/dbraw/zinc/49/99/34/670499934.db2.gz ARRXSVOKGLUUEV-UHFFFAOYSA-N 1 0 352.276 2.224 20 30 FEEDRO COc1ccc(NC(=[NH2+])NCCCS(=O)(=O)Cc2ccccc2)cc1 ZINC000104172113 670790250 /nfs/dbraw/zinc/79/02/50/670790250.db2.gz DCSXZLKUFYCGDR-UHFFFAOYSA-N 1 0 361.467 2.427 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)[C@@H](NC(=O)OC(C)(C)C)C2CCC2)CC1 ZINC000817533703 675143080 /nfs/dbraw/zinc/14/30/80/675143080.db2.gz SFPFICSNXYAIRK-INIZCTEOSA-N 1 0 351.491 2.446 20 30 FEEDRO CC(C)(C)c1cc(C#N)c(NC(=O)C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)s1 ZINC000571297661 670851880 /nfs/dbraw/zinc/85/18/80/670851880.db2.gz ISFBATACHRPZHU-WCFLWFBJSA-N 1 0 360.483 2.051 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)cc1Br ZINC000572761765 671042119 /nfs/dbraw/zinc/04/21/19/671042119.db2.gz DUSJPCUYTWYIIO-PWSUYJOCSA-N 1 0 372.288 2.117 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)N1CCc2c1cccc2Br ZINC000817785037 675177547 /nfs/dbraw/zinc/17/75/47/675177547.db2.gz ARSVTCBVNZLWOB-UHFFFAOYSA-N 1 0 350.260 2.476 20 30 FEEDRO CC(=O)NCC[N@H+](Cc1cnc2ccc(C#N)cn12)C1CCSCC1 ZINC000574174956 671211541 /nfs/dbraw/zinc/21/15/41/671211541.db2.gz MJWSBSPKHNSYTR-UHFFFAOYSA-N 1 0 357.483 2.040 20 30 FEEDRO CN(C)CC[C@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)C(C)(C)C ZINC000575796530 671321503 /nfs/dbraw/zinc/32/15/03/671321503.db2.gz CXOMMCUBWAURMK-KRWDZBQOSA-N 1 0 351.516 2.288 20 30 FEEDRO C=CCc1ccccc1OC[C@H](O)C[NH2+]C1CCC(S(C)(=O)=O)CC1 ZINC000576863502 671400156 /nfs/dbraw/zinc/40/01/56/671400156.db2.gz LRCYSPFRIGYELY-LXPRWKDFSA-N 1 0 367.511 2.100 20 30 FEEDRO C[NH+]1CCC(C#N)(NC(=O)Cc2cn3cc(Cl)cc(Cl)c3n2)CC1 ZINC000608783140 675903438 /nfs/dbraw/zinc/90/34/38/675903438.db2.gz DNWRTKUPWAORGN-UHFFFAOYSA-N 1 0 366.252 2.288 20 30 FEEDRO C=CCOc1ccccc1C[N@H+]1CCC[C@H](CN(C)S(C)(=O)=O)C1 ZINC000579407866 671733219 /nfs/dbraw/zinc/73/32/19/671733219.db2.gz NLYYSMQFFCAOBQ-MRXNPFEDSA-N 1 0 352.500 2.355 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+]Cc2cccc(OC(F)F)c2)nc1 ZINC000580184865 671788635 /nfs/dbraw/zinc/78/86/35/671788635.db2.gz YUMDDIJBQSXFCD-UHFFFAOYSA-N 1 0 367.377 2.118 20 30 FEEDRO C[N@@H+]1C[C@@H]2CCCN(CCC(=O)Nc3sc4c(c3C#N)CCC4)[C@@H]2C1 ZINC000583436949 672094526 /nfs/dbraw/zinc/09/45/26/672094526.db2.gz AJPQSPUKZWWNCN-XJKSGUPXSA-N 1 0 358.511 2.463 20 30 FEEDRO N#Cc1ccc(CN2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c(OC(F)F)c1 ZINC000610613780 675984417 /nfs/dbraw/zinc/98/44/17/675984417.db2.gz MAEQDXZZSGGVKR-CVEARBPZSA-N 1 0 351.397 2.191 20 30 FEEDRO Cc1ccccc1[C@@H]([C@@H](C)NS(=O)(=O)c1cncc(C#N)c1)[NH+](C)C ZINC000584498461 672193891 /nfs/dbraw/zinc/19/38/91/672193891.db2.gz QOARBTVTTRMMDQ-RDTXWAMCSA-N 1 0 358.467 2.231 20 30 FEEDRO C[NH+]=C(NCC(=O)N1CCc2ccccc21)NCc1nc(C)c(C)s1 ZINC000157877286 672263342 /nfs/dbraw/zinc/26/33/42/672263342.db2.gz KKKFZNHLGGKFCD-UHFFFAOYSA-N 1 0 357.483 2.014 20 30 FEEDRO CC[NH+]=C(NCCc1ccc(C)cc1C)N1CCS(=O)(=O)C(C)(C)C1 ZINC000158597156 672270915 /nfs/dbraw/zinc/27/09/15/672270915.db2.gz JIXIMZYYUBJSSS-UHFFFAOYSA-N 1 0 365.543 2.320 20 30 FEEDRO CC[NH+]=C(NC[C@@H]1CCc2ccccc21)N1CCS(=O)(=O)C(C)(C)C1 ZINC000158609134 672271200 /nfs/dbraw/zinc/27/12/00/672271200.db2.gz HWEJLXAADSBJJR-INIZCTEOSA-N 1 0 363.527 2.191 20 30 FEEDRO C#CCNC(=O)[C@@H](C)[NH+]1CCC(CN(CC)C(=O)OC(C)(C)C)CC1 ZINC000173927278 672355867 /nfs/dbraw/zinc/35/58/67/672355867.db2.gz AYLKNNIZJPUTFN-OAHLLOKOSA-N 1 0 351.491 2.093 20 30 FEEDRO C[NH+]=C(NCCc1ccc(Cl)s1)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000179070455 672398666 /nfs/dbraw/zinc/39/86/66/672398666.db2.gz FQIFRWYZLXCRLU-AWEZNQCLSA-N 1 0 370.950 2.174 20 30 FEEDRO CCCS(=O)(=O)NC1CC[NH+](Cc2ccc(O[C@@H](C)C#N)cc2)CC1 ZINC000180019379 672408056 /nfs/dbraw/zinc/40/80/56/672408056.db2.gz YTGHGEFMZJNVBJ-HNNXBMFYSA-N 1 0 365.499 2.271 20 30 FEEDRO C=CCCOCCCCC(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000678840921 672447563 /nfs/dbraw/zinc/44/75/63/672447563.db2.gz KNKAYUMKNUHTAN-LJQANCHMSA-N 1 0 351.535 2.376 20 30 FEEDRO N#C[C@H]1CCC[C@@H]([NH2+]CC2CCN(S(=O)(=O)C(F)(F)F)CC2)C1 ZINC000185825585 672535169 /nfs/dbraw/zinc/53/51/69/672535169.db2.gz CWQOWCXZMJXMPJ-QWHCGFSZSA-N 1 0 353.410 2.220 20 30 FEEDRO N#C[C@@H]1CCC[C@H]([NH2+]CC2CCN(S(=O)(=O)C(F)(F)F)CC2)C1 ZINC000185825642 672535394 /nfs/dbraw/zinc/53/53/94/672535394.db2.gz CWQOWCXZMJXMPJ-OLZOCXBDSA-N 1 0 353.410 2.220 20 30 FEEDRO C[NH+](C)C1CCN(C(=O)C(=O)Nc2scc(C(C)(C)C)c2C#N)CC1 ZINC000590218268 672565459 /nfs/dbraw/zinc/56/54/59/672565459.db2.gz YYDAJNOJNVLQCS-UHFFFAOYSA-N 1 0 362.499 2.408 20 30 FEEDRO C[C@@H]([NH3+])[C@H]1CN(C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)CCO1 ZINC000591305243 672667505 /nfs/dbraw/zinc/66/75/05/672667505.db2.gz ODOCMODMLLZWDE-NOZJJQNGSA-N 1 0 358.320 2.037 20 30 FEEDRO C[S@@](=O)c1ccc(C[NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)cc1 ZINC000591750278 672708145 /nfs/dbraw/zinc/70/81/45/672708145.db2.gz YKKYNOREBJCVLS-CRICUBBOSA-N 1 0 358.463 2.020 20 30 FEEDRO CSC1(CNC2=[NH+]C[C@H]3CN(C(=O)OC(C)(C)C)CCN23)CCC1 ZINC000193299622 672719438 /nfs/dbraw/zinc/71/94/38/672719438.db2.gz OBBZZIZAZTXROH-ZDUSSCGKSA-N 1 0 354.520 2.153 20 30 FEEDRO CC[NH+](CC)[C@@H](CNC(=O)N1CC[C@](O)(CC#N)C1)c1ccsc1 ZINC000591911879 672720547 /nfs/dbraw/zinc/72/05/47/672720547.db2.gz JJBRXGLCNFWWTF-DOTOQJQBSA-N 1 0 350.488 2.191 20 30 FEEDRO C[NH+](C)[C@@H](CNC(=O)N1CC[C@@](O)(CC#N)C1)c1ccc(Cl)cc1 ZINC000591970968 672728263 /nfs/dbraw/zinc/72/82/63/672728263.db2.gz DRQZMQYNLZKWRF-RDJZCZTQSA-N 1 0 350.850 2.003 20 30 FEEDRO C[N@H+]1C[C@@H](c2ccccc2)[C@H](CNS(=O)(=O)c2ccccc2C#N)C1 ZINC000592088085 672752352 /nfs/dbraw/zinc/75/23/52/672752352.db2.gz FNVQOFKZIWJFGC-MSOLQXFVSA-N 1 0 355.463 2.182 20 30 FEEDRO CCCCn1c([C@H](CC)[NH+](C)C)nn(CN2CCOC[C@@H]2C#N)c1=S ZINC000247173681 672847254 /nfs/dbraw/zinc/84/72/54/672847254.db2.gz RKYMFQVWAIDOFI-GJZGRUSLSA-N 1 0 366.535 2.409 20 30 FEEDRO CC[NH+]=C(NC[C@@H]1CCCCO1)N[C@H]1CCN(c2ncccc2Cl)C1 ZINC000261664656 672900733 /nfs/dbraw/zinc/90/07/33/672900733.db2.gz BFMQFISOMQLPNS-GJZGRUSLSA-N 1 0 365.909 2.438 20 30 FEEDRO C[C@@H]1CN(C(=[NH2+])N[C@@H]2COc3cc(F)c(Br)cc32)CCO1 ZINC000261687973 672901375 /nfs/dbraw/zinc/90/13/75/672901375.db2.gz KNNMXGBLYGFEIU-PRHODGIISA-N 1 0 358.211 2.057 20 30 FEEDRO C/[NH+]=C(/NCc1cn2ccsc2n1)N[C@@H](C)Cc1c(C)nn(C)c1C ZINC000261813978 672903684 /nfs/dbraw/zinc/90/36/84/672903684.db2.gz SZTNSSOCQBWKOF-NSHDSACASA-N 1 0 359.503 2.042 20 30 FEEDRO CC[NH+]=C(NCc1nnc2n1CCCCC2)NC[C@@]1(C)CCCS1 ZINC000261951544 672905882 /nfs/dbraw/zinc/90/58/82/672905882.db2.gz HNPUZJOHAKJBQH-QGZVFWFLSA-N 1 0 350.536 2.345 20 30 FEEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)NCc3cscn3)CC2)c1 ZINC000593332629 672909524 /nfs/dbraw/zinc/90/95/24/672909524.db2.gz JLFPJILQSOBZGI-UHFFFAOYSA-N 1 0 355.467 2.479 20 30 FEEDRO O=S1(=O)CC[C@H](CNC(NC[C@H]2CCCS2)=[NH+]C2CCCCC2)C1 ZINC000262344671 672913907 /nfs/dbraw/zinc/91/39/07/672913907.db2.gz DEFDWNRKMZRSKQ-GDBMZVCRSA-N 1 0 373.588 2.185 20 30 FEEDRO CC1(C)CCC(C[NH+]=C(NC[C@@H]2CCS(=O)(=O)C2)NC2CC2)CC1 ZINC000262390667 672914780 /nfs/dbraw/zinc/91/47/80/672914780.db2.gz MEQIHQHQIVOOAB-HNNXBMFYSA-N 1 0 355.548 2.335 20 30 FEEDRO CC[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)N1CCC[C@H](C(=O)OCC)C1 ZINC000262443589 672915852 /nfs/dbraw/zinc/91/58/52/672915852.db2.gz VAJIMZHEOQSHBZ-JONQDZQNSA-N 1 0 351.491 2.041 20 30 FEEDRO CCC[NH+]=C(NC[C@H]1CCS(=O)(=O)C1)N1CCC2(C1)CCCCC2 ZINC000262437286 672916047 /nfs/dbraw/zinc/91/60/47/672916047.db2.gz UCNWXHNRIGQQAE-MRXNPFEDSA-N 1 0 355.548 2.433 20 30 FEEDRO C=C(C)CNC(NC[C@@H]1CCS(=O)(=O)C1)=[NH+]C1C[C@H](C)C[C@@H](C)C1 ZINC000262456564 672916362 /nfs/dbraw/zinc/91/63/62/672916362.db2.gz WVXIIYMNGJJIIC-OAGGEKHMSA-N 1 0 355.548 2.357 20 30 FEEDRO Cc1cc(C)cc(NC(=[NH2+])NC[C@H]2CCCC[C@H]2NS(C)(=O)=O)c1 ZINC000262661849 672918699 /nfs/dbraw/zinc/91/86/99/672918699.db2.gz NDICRPOKUBQLTP-GDBMZVCRSA-N 1 0 352.504 2.138 20 30 FEEDRO C[C@@H]1C[NH+]=C(NC[C@H](c2ccc(Cl)cc2)N2CCOC(C)(C)C2)N1 ZINC000262653103 672918740 /nfs/dbraw/zinc/91/87/40/672918740.db2.gz KTVVIQVHZQAGSY-CZUORRHYSA-N 1 0 350.894 2.429 20 30 FEEDRO CSc1nnc(CNC(=[NH2+])N2CCN(c3ccc(F)cc3)CC2)s1 ZINC000262764250 672920498 /nfs/dbraw/zinc/92/04/98/672920498.db2.gz GVDAKHDLEZSFEO-UHFFFAOYSA-N 1 0 366.491 2.036 20 30 FEEDRO [NH2+]=C(NCCn1cc(Br)ccc1=O)NC1CCCCCC1 ZINC000263025763 672925959 /nfs/dbraw/zinc/92/59/59/672925959.db2.gz AOTDHQWCZWBXTP-UHFFFAOYSA-N 1 0 355.280 2.238 20 30 FEEDRO C[NH+](C)CCOc1ccccc1CNS(=O)(=O)c1ccsc1C#N ZINC000593538421 672937127 /nfs/dbraw/zinc/93/71/27/672937127.db2.gz NSZZPMKHVUTRLX-UHFFFAOYSA-N 1 0 365.480 2.039 20 30 FEEDRO O=C1N[C@H]2CN(CC#Cc3ccc(OC(F)(F)F)cc3)CC[C@@H]2CO1 ZINC000281251640 672966396 /nfs/dbraw/zinc/96/63/96/672966396.db2.gz DQOBBBHVFOVXAV-HIFRSBDPSA-N 1 0 354.328 2.367 20 30 FEEDRO N#Cc1cc(S(=O)(=O)NCCC2CC[NH2+]CC2)ccc1C(F)(F)F ZINC000593732416 672984816 /nfs/dbraw/zinc/98/48/16/672984816.db2.gz LIXYZVBTXBSKPD-UHFFFAOYSA-N 1 0 361.389 2.245 20 30 FEEDRO CCOC(=O)N1CCC(NC(=[NH2+])NCCOc2ccc(Cl)cc2)CC1 ZINC000303768910 673016908 /nfs/dbraw/zinc/01/69/08/673016908.db2.gz AQHMJCAVVGJIPP-UHFFFAOYSA-N 1 0 368.865 2.244 20 30 FEEDRO C[C@@H]1CCCN(C(=[NH2+])NCc2ccccc2S(=O)(=O)NC(C)(C)C)C1 ZINC000303880511 673017942 /nfs/dbraw/zinc/01/79/42/673017942.db2.gz KGXAISLROALIMA-CQSZACIVSA-N 1 0 366.531 2.310 20 30 FEEDRO C[C@H]1CCCN(C(=[NH2+])NCc2ccc(S(=O)(=O)N3CCCC3)cc2)C1 ZINC000303867908 673018111 /nfs/dbraw/zinc/01/81/11/673018111.db2.gz DCOYDMQQEIASQC-HNNXBMFYSA-N 1 0 364.515 2.018 20 30 FEEDRO CCCCCCCCNC(=[NH2+])NC[C@@]1(N2CCOCC2)CCSC1 ZINC000303898955 673018565 /nfs/dbraw/zinc/01/85/65/673018565.db2.gz VUPNERNSKQIXQU-SFHVURJKSA-N 1 0 356.580 2.459 20 30 FEEDRO [NH2+]=C(NCCc1cccs1)NCc1cccc(CN2CCOCC2)c1 ZINC000303910651 673019244 /nfs/dbraw/zinc/01/92/44/673019244.db2.gz ZBEJFOXNZDNVTC-UHFFFAOYSA-N 1 0 358.511 2.227 20 30 FEEDRO Cc1ccc(Br)cc1NC(=O)CNC(=[NH2+])NCC1CCC1 ZINC000303984533 673019813 /nfs/dbraw/zinc/01/98/13/673019813.db2.gz SDVLUEOISIJBSY-UHFFFAOYSA-N 1 0 353.264 2.400 20 30 FEEDRO CC[C@H](CNC(=[NH2+])NCCCN1CCOCC1)Oc1ccccc1Cl ZINC000304754030 673020169 /nfs/dbraw/zinc/02/01/69/673020169.db2.gz YQNKOSDKZGPGNU-OAHLLOKOSA-N 1 0 368.909 2.124 20 30 FEEDRO COc1ccc(CNC(=[NH2+])NCc2ccc([S@@](C)=O)cc2)cc1OC ZINC000304778417 673020621 /nfs/dbraw/zinc/02/06/21/673020621.db2.gz JLLSUQDNUSNYBR-RUZDIDTESA-N 1 0 361.467 2.046 20 30 FEEDRO C[C@](O)(CNC(=[NH2+])N1CCN(c2ccc(F)cc2)CC1)c1ccsc1 ZINC000304812442 673021217 /nfs/dbraw/zinc/02/12/17/673021217.db2.gz YBGRSMIXUNEFCC-SFHVURJKSA-N 1 0 362.474 2.232 20 30 FEEDRO CCOC(=O)N1CCC(NC(=[NH2+])N[C@@H]2C[C@H](OC)C2(CC)CC)CC1 ZINC000305059703 673021473 /nfs/dbraw/zinc/02/14/73/673021473.db2.gz FCCQQPUBLLHWEX-CABCVRRESA-N 1 0 354.495 2.105 20 30 FEEDRO CCOC(=O)N1CCC(NC(=[NH2+])N[C@@H]2C[C@@H](OC)C2(CC)CC)CC1 ZINC000305059710 673021523 /nfs/dbraw/zinc/02/15/23/673021523.db2.gz FCCQQPUBLLHWEX-HUUCEWRRSA-N 1 0 354.495 2.105 20 30 FEEDRO C[C@H](C#N)CSc1ccccc1NC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000594069545 673028308 /nfs/dbraw/zinc/02/83/08/673028308.db2.gz DLEJIOMAFHGRTG-QLFBSQMISA-N 1 0 360.483 2.221 20 30 FEEDRO N#Cc1ccc(NC(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)c(Cl)c1 ZINC000594327976 673058976 /nfs/dbraw/zinc/05/89/76/673058976.db2.gz YHNDYGZQASKGTG-JKSUJKDBSA-N 1 0 360.845 2.283 20 30 FEEDRO C[C@@H](Cn1cccn1)NC(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000328639064 673064350 /nfs/dbraw/zinc/06/43/50/673064350.db2.gz BWYDLQAILBJVET-HNNXBMFYSA-N 1 0 351.520 2.137 20 30 FEEDRO C[C@@H](NC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1)c1cncc(F)c1 ZINC000328696900 673065012 /nfs/dbraw/zinc/06/50/12/673065012.db2.gz DKNMCVASMKFHSO-CABCVRRESA-N 1 0 350.438 2.240 20 30 FEEDRO CN(C(=O)[C@@H]([NH3+])CCCCC#N)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000594433920 673071253 /nfs/dbraw/zinc/07/12/53/673071253.db2.gz IWXSQVQTKSEZLQ-HOCLYGCPSA-N 1 0 362.861 2.315 20 30 FEEDRO C[C@@H]1CN(Cc2csc(NC(=O)[C@H]([NH3+])CCCCC#N)n2)C[C@H](C)O1 ZINC000594441363 673071899 /nfs/dbraw/zinc/07/18/99/673071899.db2.gz QYEZCTWDMKCXSL-VNHYZAJKSA-N 1 0 365.503 2.102 20 30 FEEDRO CCN(CC)C(=O)CCC1CCN(C(=O)[C@H]([NH3+])CCCCC#N)CC1 ZINC000594447583 673073305 /nfs/dbraw/zinc/07/33/05/673073305.db2.gz ZKGABSWLBADBHM-QGZVFWFLSA-N 1 0 350.507 2.285 20 30 FEEDRO O=C(NCCc1cc(Cl)c2c(c1)OCCO2)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000329303843 673074803 /nfs/dbraw/zinc/07/48/03/673074803.db2.gz ODDRNIDGUROEFX-CYBMUJFWSA-N 1 0 365.861 2.394 20 30 FEEDRO CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)NC[C@H]1CCCC[N@@H+]1CC ZINC000329391768 673076708 /nfs/dbraw/zinc/07/67/08/673076708.db2.gz VNXPGGZGPJXDCX-HZPDHXFCSA-N 1 0 359.536 2.412 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)c1cccc(F)c1I ZINC000721657060 673083276 /nfs/dbraw/zinc/08/32/76/673083276.db2.gz CGEMKVFFXXYHKG-UHFFFAOYSA-N 1 0 374.197 2.115 20 30 FEEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000594532509 673095901 /nfs/dbraw/zinc/09/59/01/673095901.db2.gz CBROTEUQDJGGGB-JOYOIKCWSA-N 1 0 374.388 2.025 20 30 FEEDRO C=CCOC[C@H]1NC(=O)N(C[C@H](c2ccsc2)[NH+](CC)CC)C1=O ZINC000348494426 673115912 /nfs/dbraw/zinc/11/59/12/673115912.db2.gz DKWACMQLPQYRLE-HUUCEWRRSA-N 1 0 351.472 2.254 20 30 FEEDRO CCS(=O)(=O)C1(C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CC1 ZINC000594997036 673184840 /nfs/dbraw/zinc/18/48/40/673184840.db2.gz RLZYEBIPEZUDSB-UHFFFAOYSA-N 1 0 361.511 2.080 20 30 FEEDRO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2cc(C#N)ccc2Cl)C1 ZINC000595072620 673190899 /nfs/dbraw/zinc/19/08/99/673190899.db2.gz IMWCHKIUPRZUCQ-ZDUSSCGKSA-N 1 0 362.861 2.387 20 30 FEEDRO C[N@H+](CCCc1[nH]nc(N)c1C#N)Cc1cc(F)ccc1OC(F)F ZINC000595397686 673242379 /nfs/dbraw/zinc/24/23/79/673242379.db2.gz XATZCHNATDHIIY-UHFFFAOYSA-N 1 0 353.348 2.669 20 30 FEEDRO CC(C)[C@H]([NH2+][C@H]1CCN(c2sccc2C#N)C1=O)[C@H](O)C(F)(F)F ZINC000595482503 673256949 /nfs/dbraw/zinc/25/69/49/673256949.db2.gz OYCOFPPNSIVDAS-SRVKXCTJSA-N 1 0 361.389 2.262 20 30 FEEDRO COCC1([NH2+]CCC(=O)Nc2sc3c(c2C#N)CCC3)CCOCC1 ZINC000595501051 673258481 /nfs/dbraw/zinc/25/84/81/673258481.db2.gz RFBVPIXOYWNQAR-UHFFFAOYSA-N 1 0 363.483 2.222 20 30 FEEDRO C[C@@H](CNC(=O)N1CCN(c2ccsc2C#N)CC1)C[NH+]1CCCC1 ZINC000595552766 673265229 /nfs/dbraw/zinc/26/52/29/673265229.db2.gz QEOVWERXOHBEGG-HNNXBMFYSA-N 1 0 361.515 2.183 20 30 FEEDRO CC(C)C[N@H+](C)CCCNC(=O)N1CCN(c2ccsc2C#N)CC1 ZINC000595650192 673278390 /nfs/dbraw/zinc/27/83/90/673278390.db2.gz ALUMLRUEYOPCBE-UHFFFAOYSA-N 1 0 363.531 2.429 20 30 FEEDRO CO[C@@]1(CO)CCC[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000595663715 673280565 /nfs/dbraw/zinc/28/05/65/673280565.db2.gz SRIOTAOTMRTJKA-KRWDZBQOSA-N 1 0 351.834 2.014 20 30 FEEDRO N#Cc1cc(Br)ccc1CN1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000595864699 673331883 /nfs/dbraw/zinc/33/18/83/673331883.db2.gz VZVOIEMWDUDBKF-QGZVFWFLSA-N 1 0 364.287 2.352 20 30 FEEDRO CC(C)(C)c1nnc2n1CCN(CCC(=O)Nc1sccc1C#N)C2 ZINC000595891029 673335206 /nfs/dbraw/zinc/33/52/06/673335206.db2.gz JDBFVHPMHFUOIP-UHFFFAOYSA-N 1 0 358.471 2.353 20 30 FEEDRO C[N@@H+](CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)C[C@@H]1CC1(C)C ZINC000595910947 673337509 /nfs/dbraw/zinc/33/75/09/673337509.db2.gz UTJURRNTZBSBJD-JKSUJKDBSA-N 1 0 360.527 2.435 20 30 FEEDRO CCc1nc(C#N)cc(Sc2nnc([C@H]3CCC[NH2+]C3)n2C2CC2)n1 ZINC000596130903 673361778 /nfs/dbraw/zinc/36/17/78/673361778.db2.gz GVUVNXFRAPCFJV-NSHDSACASA-N 1 0 355.471 2.455 20 30 FEEDRO COc1ccc(OC(F)F)c(C=NNC(=S)NCCC[NH+](C)C)c1 ZINC000732924666 673390158 /nfs/dbraw/zinc/39/01/58/673390158.db2.gz CKFPUZMTOKJSHA-UHFFFAOYSA-N 1 0 360.430 2.046 20 30 FEEDRO C=CCCS(=O)(=O)NCCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000538122056 673423151 /nfs/dbraw/zinc/42/31/51/673423151.db2.gz ZNAXMHRDNYNBOL-UHFFFAOYSA-N 1 0 352.500 2.199 20 30 FEEDRO C[NH+]1CCC(C#N)(NC(=O)Cc2ccc(Br)cc2F)CC1 ZINC000597167557 673452951 /nfs/dbraw/zinc/45/29/51/673452951.db2.gz WVPMSNIIDNVHPW-UHFFFAOYSA-N 1 0 354.223 2.235 20 30 FEEDRO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)COc1cccc(Br)c1C#N ZINC000597698660 673500582 /nfs/dbraw/zinc/50/05/82/673500582.db2.gz HDXXLRRCLNEKBX-FZMZJTMJSA-N 1 0 366.259 2.251 20 30 FEEDRO C[C@H](CCNC(=O)COc1ccc(C#N)c(Br)c1)[NH+](C)C ZINC000597991677 673527719 /nfs/dbraw/zinc/52/77/19/673527719.db2.gz GYUKYYHICBMZNN-LLVKDONJSA-N 1 0 354.248 2.156 20 30 FEEDRO C=CC[C@@H](CO)CNC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000540409210 673537873 /nfs/dbraw/zinc/53/78/73/673537873.db2.gz 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C[NH2+]CCOCCN(C)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 ZINC000599603564 673696276 /nfs/dbraw/zinc/69/62/76/673696276.db2.gz DYKFZLSALZNURO-UHFFFAOYSA-N 1 0 360.336 2.157 20 30 FEEDRO C[C@@H]1CC[C@H](NC(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)C[NH2+]1 ZINC000599605132 673696739 /nfs/dbraw/zinc/69/67/39/673696739.db2.gz SSFWCKMQXYWDHG-RISCZKNCSA-N 1 0 358.833 2.659 20 30 FEEDRO CCN(CC[NH3+])C(=O)C(=O)Nc1sc2c(c1C#N)CC[C@H](C(C)C)C2 ZINC000599890382 673726591 /nfs/dbraw/zinc/72/65/91/673726591.db2.gz HFGBAJLURTUPEY-LBPRGKRZSA-N 1 0 362.499 2.126 20 30 FEEDRO N#Cc1cc(NC(=O)C(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)ccc1Cl ZINC000600064342 673737977 /nfs/dbraw/zinc/73/79/77/673737977.db2.gz RQDSNDRLUDHNLN-OAHLLOKOSA-N 1 0 360.845 2.283 20 30 FEEDRO N#Cc1ccc(Cl)c(NC(=O)C(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)c1 ZINC000600065278 673738261 /nfs/dbraw/zinc/73/82/61/673738261.db2.gz YZLPOGGCUAIISZ-CQSZACIVSA-N 1 0 360.845 2.283 20 30 FEEDRO C[C@@H]1CCC[N@@H+]1CCNC(=O)C(=O)Nc1ccccc1SCCC#N ZINC000743980359 673777569 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20 30 FEEDRO C[C@H]1[C@H]([NH+](C)C)CCN1S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000601421060 673859797 /nfs/dbraw/zinc/85/97/97/673859797.db2.gz HYWRIRFPISHWSI-IINYFYTJSA-N 1 0 372.288 2.034 20 30 FEEDRO C[C@H]1[C@H]([NH+](C)C)CCN1S(=O)(=O)c1cccc(Br)c1C#N ZINC000601422769 673860053 /nfs/dbraw/zinc/86/00/53/673860053.db2.gz YNHWRLQVGRTGJK-GXFFZTMASA-N 1 0 372.288 2.034 20 30 FEEDRO COC[C@@](C)(CO)[NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000602931136 673913916 /nfs/dbraw/zinc/91/39/16/673913916.db2.gz HQEXQPMAJZLBJN-GOSISDBHSA-N 1 0 365.499 2.204 20 30 FEEDRO CCCC[N@@H+]1CCCC[C@H]1CNc1ccc(C#N)cc1CS(N)(=O)=O ZINC000603284276 673922241 /nfs/dbraw/zinc/92/22/41/673922241.db2.gz KBNSRYNXBWPUOD-KRWDZBQOSA-N 1 0 364.515 2.413 20 30 FEEDRO C[C@H](CCNc1ccc(C#N)cc1CS(N)(=O)=O)[NH+]1CCCCC1 ZINC000603332694 673925247 /nfs/dbraw/zinc/92/52/47/673925247.db2.gz CKYHOCYHSHGTMC-CQSZACIVSA-N 1 0 350.488 2.023 20 30 FEEDRO N#CCC1(CS(=O)(=O)NCC2([NH+]3CCSCC3)CCCCC2)CC1 ZINC000566543607 675222807 /nfs/dbraw/zinc/22/28/07/675222807.db2.gz LKRZIICOOBBGMF-UHFFFAOYSA-N 1 0 371.572 2.351 20 30 FEEDRO C#CCNC(=O)CC[NH2+][C@@H]1CCCN(Cc2ccc(F)cc2Cl)C1 ZINC000819051203 675255801 /nfs/dbraw/zinc/25/58/01/675255801.db2.gz OPEQKMASBMGDSR-MRXNPFEDSA-N 1 0 351.853 2.173 20 30 FEEDRO C#CCNC(=O)CC[NH2+]CCCOc1ncc(C(F)(F)F)cc1Cl ZINC000819188105 675268016 /nfs/dbraw/zinc/26/80/16/675268016.db2.gz BQGRQWSQKGUNBK-UHFFFAOYSA-N 1 0 363.767 2.252 20 30 FEEDRO C#CCNC(=O)CC[NH2+]C[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000819195507 675268594 /nfs/dbraw/zinc/26/85/94/675268594.db2.gz DPTOMNJMDXZGFV-KBXCAEBGSA-N 1 0 351.853 2.201 20 30 FEEDRO C[C@@H](CNC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)[NH+]1CCCC1 ZINC000819245476 675273953 /nfs/dbraw/zinc/27/39/53/675273953.db2.gz WTOXJNDSBUQKJS-LSDHHAIUSA-N 1 0 352.479 2.174 20 30 FEEDRO CN(CCC#N)C[C@H](O)C[NH2+]C/C=C/c1ccc(Br)cc1 ZINC000567345487 675285810 /nfs/dbraw/zinc/28/58/10/675285810.db2.gz JUGXLUKYQIIRCU-WPTTZPOMSA-N 1 0 352.276 2.258 20 30 FEEDRO C#C[C@H](NC(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1ccc(Cl)cc1 ZINC000820572282 675371496 /nfs/dbraw/zinc/37/14/96/675371496.db2.gz DVXKZLIMFGIJML-KSZLIROESA-N 1 0 361.873 2.255 20 30 FEEDRO CC#CCS(=O)(=O)c1cccc(C(=O)NC(C)(C)CCC[NH+](C)C)c1 ZINC000821545025 675440440 /nfs/dbraw/zinc/44/04/40/675440440.db2.gz UUYGIUZZBJKFKG-UHFFFAOYSA-N 1 0 364.511 2.334 20 30 FEEDRO C#CCN(CC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C[NH+]1CCC(C)CC1 ZINC000822688346 675500723 /nfs/dbraw/zinc/50/07/23/675500723.db2.gz NVMDCGAWWLBPOG-INIZCTEOSA-N 1 0 351.491 2.093 20 30 FEEDRO C=CC1(CC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)CN(C(=O)OC(C)(C)C)C1 ZINC000824274296 675592840 /nfs/dbraw/zinc/59/28/40/675592840.db2.gz HOXUXQKZJZVQEV-GASCZTMLSA-N 1 0 351.491 2.256 20 30 FEEDRO CN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000603959290 675802692 /nfs/dbraw/zinc/80/26/92/675802692.db2.gz VUEJMGDXQUAIQV-UHFFFAOYSA-N 1 0 361.389 2.292 20 30 FEEDRO C#CCN(CC(=O)N1CC[C@H](C[NH+](CC)CC)C1)C(=O)OC(C)(C)C ZINC000829162903 675868013 /nfs/dbraw/zinc/86/80/13/675868013.db2.gz UUJVQEHBSQPUGU-MRXNPFEDSA-N 1 0 351.491 2.047 20 30 FEEDRO C[C@@H](C#N)CN(C)S(=O)(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000619714098 676392052 /nfs/dbraw/zinc/39/20/52/676392052.db2.gz VSEBNJSEBTUIET-FUHWJXTLSA-N 1 0 364.515 2.139 20 30 FEEDRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)NCc2ccc(C#N)c(Cl)c2)C1 ZINC000619769629 676394130 /nfs/dbraw/zinc/39/41/30/676394130.db2.gz OAVXKTLBHKPXCA-MRXNPFEDSA-N 1 0 364.877 2.368 20 30 FEEDRO C=CCCOCC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000677290195 679674309 /nfs/dbraw/zinc/67/43/09/679674309.db2.gz IKAZLAGQQFEBBV-MOPGFXCFSA-N 1 0 351.535 2.375 20 30 FEEDRO C=CCOc1ccc(C[N@H+]2CCC[C@H](CS(=O)(=O)NC)C2)cc1OC ZINC000628495287 676805120 /nfs/dbraw/zinc/80/51/20/676805120.db2.gz NAVFEAVGDHCGNV-INIZCTEOSA-N 1 0 368.499 2.021 20 30 FEEDRO C[C@@](O)(C[N@@H+]1CC[C@](O)(CC#N)C1)c1ccc(Br)cc1F ZINC000829999183 677021051 /nfs/dbraw/zinc/02/10/51/677021051.db2.gz YBNNYCWSLJGNJJ-HUUCEWRRSA-N 1 0 357.223 2.146 20 30 FEEDRO C=CCNS(=O)(=O)c1ccccc1NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000641536753 677209340 /nfs/dbraw/zinc/20/93/40/677209340.db2.gz GXUUKRRHDKWISS-MRXNPFEDSA-N 1 0 367.515 2.064 20 30 FEEDRO C#CCSCCNC(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000838486861 680695971 /nfs/dbraw/zinc/69/59/71/680695971.db2.gz UHJXZXAQWCEOTO-UHFFFAOYSA-N 1 0 351.438 2.411 20 30 FEEDRO C=CCC1(NS(=O)(=O)c2c(C)nn(CC[NH+](C)C)c2C)CCCC1 ZINC000657186361 677977142 /nfs/dbraw/zinc/97/71/42/677977142.db2.gz CRGCSFBBWDRJAJ-UHFFFAOYSA-N 1 0 354.520 2.229 20 30 FEEDRO C=CCN1CC[C@H]([N@H+](C)CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1=O ZINC000839591515 680764362 /nfs/dbraw/zinc/76/43/62/680764362.db2.gz JPMVTPKCPIFABZ-CVEARBPZSA-N 1 0 351.491 2.352 20 30 FEEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1cc(S(N)(=O)=O)ccc1C ZINC000661115831 678437281 /nfs/dbraw/zinc/43/72/81/678437281.db2.gz UJPSXZMPTPVFOH-GDBMZVCRSA-N 1 0 365.499 2.305 20 30 FEEDRO C=CCC1([NH2+]CC(=O)N(CC(C)C)[C@H]2CCS(=O)(=O)C2)CCCC1 ZINC000661848143 678541740 /nfs/dbraw/zinc/54/17/40/678541740.db2.gz BLKDLJXJUHXACU-INIZCTEOSA-N 1 0 356.532 2.137 20 30 FEEDRO C=CC[C@]1(C(=O)Nc2cccc(S(=O)(=O)NCCCC)c2)CCC[NH2+]1 ZINC000662451407 678622471 /nfs/dbraw/zinc/62/24/71/678622471.db2.gz LBTMBGZLXHFFTJ-GOSISDBHSA-N 1 0 365.499 2.402 20 30 FEEDRO C=CC[C@@]1(C(=O)N[C@@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)CCC[NH2+]1 ZINC000662801314 678663117 /nfs/dbraw/zinc/66/31/17/678663117.db2.gz RXVQJFSNKVHZDB-QAPCUYQASA-N 1 0 365.836 2.399 20 30 FEEDRO C#CCC[NH+]1CCC(NS(=O)(=O)c2cc(Cl)c(OC)cc2C)CC1 ZINC000840952179 680856546 /nfs/dbraw/zinc/85/65/46/680856546.db2.gz VBVRHIGYKGJPQT-UHFFFAOYSA-N 1 0 370.902 2.423 20 30 FEEDRO C#CCNC(=O)C1CC[NH+](Cc2ccc(OC(F)F)c(OC)c2)CC1 ZINC000747968383 679917127 /nfs/dbraw/zinc/91/71/27/679917127.db2.gz BDSYJBGMVGADKB-UHFFFAOYSA-N 1 0 352.381 2.258 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N[C@@H](C)[C@H](O)c2c(F)cccc2Cl)CC1 ZINC000748001953 679919805 /nfs/dbraw/zinc/91/98/05/679919805.db2.gz UKXILNVYKYNMKL-SJCJKPOMSA-N 1 0 352.837 2.362 20 30 FEEDRO CC(=NNC(=S)NCCC[NH+](C)C)c1nc2cc(Cl)ccc2n1C ZINC000749164114 680024699 /nfs/dbraw/zinc/02/46/99/680024699.db2.gz FKGGROZXXNQLCT-UHFFFAOYSA-N 1 0 366.922 2.367 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H]([NH2+]Cc2cnc(Cl)s2)C1 ZINC001019498855 680094811 /nfs/dbraw/zinc/09/48/11/680094811.db2.gz WGAKSJGVZCEVSG-UBHSHLNASA-N 1 0 355.891 2.468 20 30 FEEDRO C[NH+](C)[C@@H](CNS(=O)(=O)c1cccc(F)c1C#N)Cc1ccccc1 ZINC000750971552 680143466 /nfs/dbraw/zinc/14/34/66/680143466.db2.gz GAGOBCSVMQFHKO-OAHLLOKOSA-N 1 0 361.442 2.149 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3cnc(C)s3)C[C@H]21 ZINC000978171403 680170714 /nfs/dbraw/zinc/17/07/14/680170714.db2.gz ZELWEJNZTRNGHT-DZVNLGKHSA-N 1 0 361.511 2.227 20 30 FEEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)c1ccn(-c2ccc(Cl)c(Cl)c2)n1 ZINC000834485023 680233256 /nfs/dbraw/zinc/23/32/56/680233256.db2.gz QXJSTOGIYHEMDJ-YMTOWFKASA-N 1 0 350.209 2.020 20 30 FEEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)COc1ccc(C2SCCCS2)cc1 ZINC000834511905 680236829 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KSPVGSZXCFAEPJ-WDSOQIARSA-N 1 0 350.503 2.365 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[N@H+](CCC[C@@H]2CCOC2)CC1 ZINC000982173681 680272572 /nfs/dbraw/zinc/27/25/72/680272572.db2.gz PBIVWCBIVAPPOT-QYZOEREBSA-N 1 0 350.503 2.319 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]Cc2cc(OC)ns2)C1 ZINC001024164752 680282582 /nfs/dbraw/zinc/28/25/82/680282582.db2.gz HCZIMJBFDWRCMV-BMFZPTHFSA-N 1 0 365.499 2.071 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@H](C[NH2+]Cc2csnn2)C1 ZINC001024191793 680283270 /nfs/dbraw/zinc/28/32/70/680283270.db2.gz DQNGQROYZKBGDB-PVAVHDDUSA-N 1 0 364.515 2.238 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1CC1CCOCC1 ZINC001024702482 680301267 /nfs/dbraw/zinc/30/12/67/680301267.db2.gz WLEUMXBAWLLXEY-FHWLQOOXSA-N 1 0 350.503 2.365 20 30 FEEDRO C=CCN1C(=S)N=NC1c1sc(NC(=O)C2CC([NH2+]C)C2)nc1C ZINC000912214819 685331852 /nfs/dbraw/zinc/33/18/52/685331852.db2.gz QFEXZPDNLJJORO-UHFFFAOYSA-N 1 0 364.500 2.121 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([NH2+]Cc2nc(C(C)C)ns2)CC1 ZINC000997012050 680345483 /nfs/dbraw/zinc/34/54/83/680345483.db2.gz OBAYNTDPGDKQAD-CABCVRRESA-N 1 0 364.515 2.333 20 30 FEEDRO CC(C)[N@H+]1CC(N=Nc2ccc(S(=O)(=O)NC3CC3)cc2)[C@@H](C)C1 ZINC000754256672 680345559 /nfs/dbraw/zinc/34/55/59/680345559.db2.gz DBFRNZMAFAOMBV-ZDUSSCGKSA-N 1 0 350.488 2.255 20 30 FEEDRO C=C(C)C[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)CC1 ZINC000997171124 680348268 /nfs/dbraw/zinc/34/82/68/680348268.db2.gz QLKCQTWXTBECEP-YUELXQCFSA-N 1 0 364.408 2.126 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)C1CC[NH+](CCc2ccns2)CC1 ZINC000997308733 680351881 /nfs/dbraw/zinc/35/18/81/680351881.db2.gz IUXBNLFQUNDCKP-OLMNPRSZSA-N 1 0 363.527 2.493 20 30 FEEDRO N#Cc1cc(Cl)c(C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)c(Cl)c1 ZINC000754412288 680354621 /nfs/dbraw/zinc/35/46/21/680354621.db2.gz MGEXWLZYRKJXIP-RYUDHWBXSA-N 1 0 354.237 2.458 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]CC2CCOCC2)C1 ZINC001027113837 680355118 /nfs/dbraw/zinc/35/51/18/680355118.db2.gz KEWYGEIPRFSHIZ-QYZOEREBSA-N 1 0 350.503 2.222 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)C1CC[NH+](CC2CCOCC2)CC1 ZINC000997760720 680365427 /nfs/dbraw/zinc/36/54/27/680365427.db2.gz HBPZZPKPZIIGPG-IPELMVKDSA-N 1 0 350.503 2.221 20 30 FEEDRO C=C(Br)CN1CC[C@@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001028550626 680373796 /nfs/dbraw/zinc/37/37/96/680373796.db2.gz FFYCKPGUVRBDLL-SOUVJXGZSA-N 1 0 358.324 2.063 20 30 FEEDRO C=C(Cl)C(C)(C)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)C2 ZINC000998630459 680386205 /nfs/dbraw/zinc/38/62/05/680386205.db2.gz LIOCTJUOOLLAJM-FZKCQIBNSA-N 1 0 367.921 2.355 20 30 FEEDRO C=C(Br)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCO[C@H]2C2CC2)C1 ZINC000999759380 680412353 /nfs/dbraw/zinc/41/23/53/680412353.db2.gz BLKKDJQQNPWRHF-ZNMIVQPWSA-N 1 0 357.292 2.291 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1cnc(Cl)s1 ZINC001035053613 680442615 /nfs/dbraw/zinc/44/26/15/680442615.db2.gz DIAVTLDFDYUGIN-BNOWGMLFSA-N 1 0 355.891 2.468 20 30 FEEDRO C[C@H]1C[N@@H+](C2CC2)CC1N=Nc1ccc(S(=O)(=O)NC(C)(C)C)cn1 ZINC000755893210 680443059 /nfs/dbraw/zinc/44/30/59/680443059.db2.gz QPYCLMYUPAQPRG-LBPRGKRZSA-N 1 0 365.503 2.040 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000836394725 680463146 /nfs/dbraw/zinc/46/31/46/680463146.db2.gz RLSQSXACIHXNRE-UHFFFAOYSA-N 1 0 352.822 2.045 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC([N@H+](C)C[C@@H]2CCOC2)CC1 ZINC000985693236 680470806 /nfs/dbraw/zinc/47/08/06/680470806.db2.gz SOOKXJWASNLBBG-WDSOQIARSA-N 1 0 350.503 2.317 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)N1CCc2cccc(Br)c2C1 ZINC000836488877 680476108 /nfs/dbraw/zinc/47/61/08/680476108.db2.gz QMAUTZNAFJCJRV-UHFFFAOYSA-N 1 0 364.287 2.472 20 30 FEEDRO C#CC[N@@H+](C)CCCNC(=O)NC[C@@H](COC)c1ccc(Cl)cc1 ZINC000836491396 680476987 /nfs/dbraw/zinc/47/69/87/680476987.db2.gz QREZUCKIGOIFAM-INIZCTEOSA-N 1 0 351.878 2.324 20 30 FEEDRO C#CC[N@H+]1CCC[C@@H]1COC(=O)[C@@H]1CCCCN1C(=O)c1cccs1 ZINC000756541002 680483945 /nfs/dbraw/zinc/48/39/45/680483945.db2.gz FCQOKBGFPDAQRI-CVEARBPZSA-N 1 0 360.479 2.384 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CC2(CO1)CC[NH+](CCC)CC2 ZINC001045672282 680637450 /nfs/dbraw/zinc/63/74/50/680637450.db2.gz PXHNVZKHRCPYGO-KURKYZTESA-N 1 0 350.503 2.365 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCC[C@]2(CC[N@@H+](CCCO)C2)C1 ZINC001045939256 680641795 /nfs/dbraw/zinc/64/17/95/680641795.db2.gz YTDQELKCFGNWOQ-WSTZPKSXSA-N 1 0 350.503 2.055 20 30 FEEDRO C=C(Cl)CN1CCC[C@H](NC(=O)[C@@H]2CCO[C@H]2c2ccnn2CC)C1 ZINC001007523446 680646211 /nfs/dbraw/zinc/64/62/11/680646211.db2.gz AGOSEDIFQPHDTC-ZMSDIMECSA-N 1 0 366.893 2.314 20 30 FEEDRO C[N@H+](CCCc1[nH]nc(N)c1C#N)C[C@H](O)c1ccc(Cl)c(F)c1 ZINC000759853346 680670022 /nfs/dbraw/zinc/67/00/22/680670022.db2.gz UDKCUZBHRNMLTI-HNNXBMFYSA-N 1 0 351.813 2.254 20 30 FEEDRO CCOc1ccc(NC(=O)N[C@H]2C[NH2+]C[C@H]2C#N)cc1Br ZINC000841200436 680868758 /nfs/dbraw/zinc/86/87/58/680868758.db2.gz BAZUIUXLRSXWSB-SKDRFNHKSA-N 1 0 353.220 2.081 20 30 FEEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)Nc1cc(F)c(Br)cc1Cl ZINC000841230635 680870184 /nfs/dbraw/zinc/87/01/84/680870184.db2.gz WDGKIZIKUFZGGU-KGFZYKRKSA-N 1 0 361.602 2.475 20 30 FEEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)Nc1ccc2c(c1)N(CC(F)F)CCS2 ZINC000841236102 680870600 /nfs/dbraw/zinc/87/06/00/680870600.db2.gz ZFAPKLFOLCAFIN-JQWIXIFHSA-N 1 0 367.425 2.097 20 30 FEEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)Nc1nc2c(cccc2Br)s1 ZINC000841239213 680870674 /nfs/dbraw/zinc/87/06/74/680870674.db2.gz XDRCMAKCYMJLLT-VXNVDRBHSA-N 1 0 366.244 2.292 20 30 FEEDRO N#Cc1cc(S(=O)(=O)N2CCCC[C@H]2CC[NH3+])ccc1C(F)(F)F ZINC000842859559 680971683 /nfs/dbraw/zinc/97/16/83/680971683.db2.gz KFVPURKFPUJRNY-LBPRGKRZSA-N 1 0 361.389 2.469 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[C@H](C[NH2+]C[C@@H]2CCCCO2)CC1 ZINC001050367907 681046507 /nfs/dbraw/zinc/04/65/07/681046507.db2.gz CDBPQMAPRGIOAY-FKSLSLAPSA-N 1 0 350.503 2.411 20 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ZINC000775341935 681299341 /nfs/dbraw/zinc/29/93/41/681299341.db2.gz OPHKAHADWQSTLI-KBPBESRZSA-N 1 0 352.228 2.491 20 30 FEEDRO C#CCNC(=O)C1CC[NH+](Cc2cc(Br)cc(C)c2O)CC1 ZINC000775663130 681322494 /nfs/dbraw/zinc/32/24/94/681322494.db2.gz KLHRWCAVLVVBNZ-UHFFFAOYSA-N 1 0 365.271 2.425 20 30 FEEDRO CCC(CC)[C@@H](CNC(=O)N[C@@H](CC#N)C(F)(F)F)[NH+]1CCOCC1 ZINC000932926591 681329696 /nfs/dbraw/zinc/32/96/96/681329696.db2.gz KMPZHQMTEDDPTG-KGLIPLIRSA-N 1 0 364.412 2.267 20 30 FEEDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)C2(C#N)CCSCC2)[C@H](C)C1 ZINC000932945634 681333023 /nfs/dbraw/zinc/33/30/23/681333023.db2.gz DMPNNPCNJYSBKF-HZPDHXFCSA-N 1 0 353.532 2.277 20 30 FEEDRO C#CCN1CCN(C(=O)C[NH2+][C@H](c2ccc(Cl)cc2)[C@@H]2C[C@@H]2C)CC1 ZINC000776026563 681357071 /nfs/dbraw/zinc/35/70/71/681357071.db2.gz OQJWFPRRUWGZOA-QKYXUNIQSA-N 1 0 359.901 2.404 20 30 FEEDRO N#Cc1ccc(CC[NH+]2CCC(S(=O)(=O)N3CCCCC3)CC2)cc1 ZINC000933087354 681361214 /nfs/dbraw/zinc/36/12/14/681361214.db2.gz AOBJYQNAZFNWAZ-UHFFFAOYSA-N 1 0 361.511 2.381 20 30 FEEDRO CS[C@H]1CN(C(=O)Cc2cccc(OCC#N)c2)C[C@@H]1[NH+]1CCCC1 ZINC000776210241 681372590 /nfs/dbraw/zinc/37/25/90/681372590.db2.gz DBZLYBYQAQURQY-ROUUACIJSA-N 1 0 359.495 2.170 20 30 FEEDRO C[N@@H+]1CCC[C@H](NC(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)C1 ZINC000847448360 681380670 /nfs/dbraw/zinc/38/06/70/681380670.db2.gz OZMKPHQHJUQQCW-LSDHHAIUSA-N 1 0 352.479 2.174 20 30 FEEDRO C[N@@H+]1CCC[C@H]1CNC(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C ZINC000847491022 681385634 /nfs/dbraw/zinc/38/56/34/681385634.db2.gz FXNJKEWZELIUOP-GJZGRUSLSA-N 1 0 352.479 2.174 20 30 FEEDRO C#CCC[NH+]1CCN(C[C@@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000776593100 681412433 /nfs/dbraw/zinc/41/24/33/681412433.db2.gz RBIMEQYFVSEMKQ-CQSZACIVSA-N 1 0 357.281 2.374 20 30 FEEDRO C#CCC[NH+]1CCN(Cc2cc3c(c(Br)c2)OCO3)CC1 ZINC000776594264 681413060 /nfs/dbraw/zinc/41/30/60/681413060.db2.gz ARLCILNDURYSNT-UHFFFAOYSA-N 1 0 351.244 2.319 20 30 FEEDRO CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@@](C)(CO)Cc1ccc(Cl)cc1 ZINC000933449869 681415201 /nfs/dbraw/zinc/41/52/01/681415201.db2.gz RIKFJXBFQHHAOY-MSOLQXFVSA-N 1 0 351.878 2.278 20 30 FEEDRO C[C@H]([NH2+][C@@H]1CCOC12CCOCC2)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000934402815 681565632 /nfs/dbraw/zinc/56/56/32/681565632.db2.gz CRCZUHQBWQPQMY-BLLLJJGKSA-N 1 0 363.845 2.466 20 30 FEEDRO C=CCCC[N@@H+](CC)[C@@H](C)C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000934648417 681605996 /nfs/dbraw/zinc/60/59/96/681605996.db2.gz OMFVBBZGOONKRZ-GJZGRUSLSA-N 1 0 367.515 2.188 20 30 FEEDRO CCc1noc(C2CCC(=NNC(=S)NCCC[NH+](C)C)CC2)n1 ZINC000778541662 681622200 /nfs/dbraw/zinc/62/22/00/681622200.db2.gz JXIKCWQWMXSEAX-UHFFFAOYSA-N 1 0 352.508 2.061 20 30 FEEDRO CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)N1CCC(C[NH3+])CC1 ZINC000848939727 681645685 /nfs/dbraw/zinc/64/56/85/681645685.db2.gz BCXAIUXDEYWKJR-HNNXBMFYSA-N 1 0 352.479 2.161 20 30 FEEDRO CC(C)N1CC[NH+](C2CCN(C(=O)C3(C#N)CCSCC3)CC2)CC1 ZINC000935130608 681695016 /nfs/dbraw/zinc/69/50/16/681695016.db2.gz JZCSRASSKUYOFQ-UHFFFAOYSA-N 1 0 364.559 2.040 20 30 FEEDRO C=CC1(CC(=O)N2CC[N@@H+](C)[C@@H](C)[C@H]2C)CN(C(=O)OC(C)(C)C)C1 ZINC000935211452 681711330 /nfs/dbraw/zinc/71/13/30/681711330.db2.gz CLOZLRVMGVTSHM-LSDHHAIUSA-N 1 0 351.491 2.351 20 30 FEEDRO CCn1nc(C(F)(F)F)c(C(=O)NCC#CC[NH+](C)C)c1C(F)F ZINC000913519997 685479242 /nfs/dbraw/zinc/47/92/42/685479242.db2.gz XXCDUHLJJMYKRQ-UHFFFAOYSA-N 1 0 352.307 2.154 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC2(CC1)CC[NH+](C[C@H](C)O)CC2 ZINC000957552148 681907216 /nfs/dbraw/zinc/90/72/16/681907216.db2.gz HBPYBSYPEWBFQR-KSZLIROESA-N 1 0 350.503 2.053 20 30 FEEDRO Cc1cc(C#N)cc(C)c1CS(=O)(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000914222973 685499589 /nfs/dbraw/zinc/49/95/89/685499589.db2.gz UUDKLRRXQPZNPG-KRWDZBQOSA-N 1 0 367.540 2.032 20 30 FEEDRO N#Cc1cc(CS(=O)(=O)NC2CC[NH+](C3CCCC3)CC2)cs1 ZINC000914225615 685499656 /nfs/dbraw/zinc/49/96/56/685499656.db2.gz QGHRFGDHKHLWSI-UHFFFAOYSA-N 1 0 353.513 2.446 20 30 FEEDRO Cc1cc(C#N)cc(C)c1CS(=O)(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000914259271 685501274 /nfs/dbraw/zinc/50/12/74/685501274.db2.gz OPHITJFTQJPRDB-HKUYNNGSSA-N 1 0 361.511 2.421 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)NCc2sccc2Br)CC1 ZINC000915390778 685514878 /nfs/dbraw/zinc/51/48/78/685514878.db2.gz PVXQFNPJMKITMH-UHFFFAOYSA-N 1 0 356.289 2.407 20 30 FEEDRO N#Cc1ccc(C[NH2+]CC2CC(NC(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)C2)s1 ZINC000962096637 682109306 /nfs/dbraw/zinc/10/93/06/682109306.db2.gz KJZWXABQJYYLJS-FWLHAFGSSA-N 1 0 359.495 2.419 20 30 FEEDRO C[NH+](C)CCOc1ccc(C=NN2C(=S)N=NC2[C@H]2CCCO2)cc1 ZINC000915955014 685519919 /nfs/dbraw/zinc/51/99/19/685519919.db2.gz SZHFKVZATNJWKZ-OAHLLOKOSA-N 1 0 361.471 2.241 20 30 FEEDRO C#CCOCC[N@@H+](CCC(=O)OC)Cc1cccc(Br)c1 ZINC000851979074 682196387 /nfs/dbraw/zinc/19/63/87/682196387.db2.gz UDYZLAHHPHUVLO-UHFFFAOYSA-N 1 0 354.244 2.464 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@@H]2C(=O)NC(C)(C)C)CC1 ZINC000917097654 685529612 /nfs/dbraw/zinc/52/96/12/685529612.db2.gz DXJXJDYVUBFNHP-MRXNPFEDSA-N 1 0 350.507 2.116 20 30 FEEDRO C=C(C)[C@H](CO)N1CC[C@H](c2ccccc2)[C@H](NC(=O)C(F)(F)F)C1 ZINC000852673573 682317719 /nfs/dbraw/zinc/31/77/19/682317719.db2.gz KRTICNZUVRQFMT-OAGGEKHMSA-N 1 0 356.388 2.460 20 30 FEEDRO C#CCC[N@@H+](CCOC)C[C@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)O1 ZINC000852750368 682335451 /nfs/dbraw/zinc/33/54/51/682335451.db2.gz RZUYSFGKVOGQCQ-MRXNPFEDSA-N 1 0 352.475 2.127 20 30 FEEDRO C#C[C@H]([NH2+][C@H](Cc1ccc(C(F)(F)F)cc1)C(N)=O)C1CCOCC1 ZINC000853078936 682373044 /nfs/dbraw/zinc/37/30/44/682373044.db2.gz VXTXUUZSIVXQLY-JKSUJKDBSA-N 1 0 354.372 2.120 20 30 FEEDRO COCCCN=c1scc(C)n1N=Cc1ccnn1-c1cc[nH+]cc1 ZINC000853081250 682373527 /nfs/dbraw/zinc/37/35/27/682373527.db2.gz MWJSWLMHXLSKSY-UHFFFAOYSA-N 1 0 356.455 2.258 20 30 FEEDRO CN(CCCC(=O)N1CCC([NH2+]CCC#N)CC1)C(=O)OC(C)(C)C ZINC000853125768 682379444 /nfs/dbraw/zinc/37/94/44/682379444.db2.gz CNDVLBBBZVCBHY-UHFFFAOYSA-N 1 0 352.479 2.128 20 30 FEEDRO Cc1ccc2c(c1Br)NC(=O)C2=NNCC[NH+]1CCCCC1 ZINC000853292420 682403197 /nfs/dbraw/zinc/40/31/97/682403197.db2.gz YADKDMBZEWIIDG-UHFFFAOYSA-N 1 0 365.275 2.489 20 30 FEEDRO C#CCN(CC(=O)OC(C)(C)C)C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000854018921 682503976 /nfs/dbraw/zinc/50/39/76/682503976.db2.gz PYRMHZUTDGFJMS-UHFFFAOYSA-N 1 0 351.491 2.095 20 30 FEEDRO Cc1ccc(S(=O)(=O)NN=C2CCC[C@@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000788407379 682528290 /nfs/dbraw/zinc/52/82/90/682528290.db2.gz DFZDKHZKCQUZIQ-CYBMUJFWSA-N 1 0 354.432 2.042 20 30 FEEDRO C=C(C[NH+](C)C)C(=O)N1CCOC[C@H]1c1cccc(Br)c1 ZINC000855845481 682718041 /nfs/dbraw/zinc/71/80/41/682718041.db2.gz VNLAQCRSEGIABH-HNNXBMFYSA-N 1 0 353.260 2.467 20 30 FEEDRO C[C@H]([NH2+][C@@H]1CCCC[C@H]1NS(C)(=O)=O)c1ccc(OCC#N)cc1 ZINC000858498073 682973418 /nfs/dbraw/zinc/97/34/18/682973418.db2.gz LKEICVZXVSTRHC-IAOVAPTHSA-N 1 0 351.472 2.100 20 30 FEEDRO CSCCON=C(C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000794571947 682980360 /nfs/dbraw/zinc/98/03/60/682980360.db2.gz IGQRFDSCNOQEPJ-UHFFFAOYSA-N 1 0 373.544 2.020 20 30 FEEDRO CS(=O)(=O)CCN[NH+]=Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000794912837 683002742 /nfs/dbraw/zinc/00/27/42/683002742.db2.gz MTLRKKFEPNFLGO-UHFFFAOYSA-N 1 0 357.479 2.217 20 30 FEEDRO N#CCOc1cc(F)ccc1NC(=O)N1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000926067147 683070995 /nfs/dbraw/zinc/07/09/95/683070995.db2.gz VJQBDFFZNKJPBX-MNOVXSKESA-N 1 0 360.311 2.471 20 30 FEEDRO N#Cc1cccc([C@@H](NC(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)C(F)(F)F)c1 ZINC000926189211 683091140 /nfs/dbraw/zinc/09/11/40/683091140.db2.gz MHSMFPPRFTWLTP-RRFJBIMHSA-N 1 0 352.360 2.413 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)c2ncsc2Nc2cccnc2)CC1 ZINC000859524769 683123006 /nfs/dbraw/zinc/12/30/06/683123006.db2.gz IAOSNTZVIHTHTE-UHFFFAOYSA-N 1 0 355.467 2.499 20 30 FEEDRO C[C@H](C#N)Oc1ccc(C[NH2+]C[C@@H](N2CCOCC2)C(F)(F)F)cc1 ZINC000796514428 683167338 /nfs/dbraw/zinc/16/73/38/683167338.db2.gz LDUQAKMMPWMBLW-CZUORRHYSA-N 1 0 357.376 2.330 20 30 FEEDRO C#CC[N@H+]1CCC[C@@H]1COC(=O)C1(C(=O)OC(C)(C)C)CCSCC1 ZINC000860530205 683256696 /nfs/dbraw/zinc/25/66/96/683256696.db2.gz SDPVMFWONCGQPG-OAHLLOKOSA-N 1 0 367.511 2.482 20 30 FEEDRO C=C(C[NH+](C)C)C(=O)N1C[C@@H](C(F)(F)F)[C@H](NC(=O)OC(C)(C)C)C1 ZINC000927873194 683330193 /nfs/dbraw/zinc/33/01/93/683330193.db2.gz WMFLNWJWBVJQMQ-VXGBXAGGSA-N 1 0 365.396 2.018 20 30 FEEDRO N#Cc1cc(F)cc(C2(C(=O)N[C@@H]3CCC[N@@H+]4CCSC[C@H]34)CC2)c1 ZINC000928080946 683373266 /nfs/dbraw/zinc/37/32/66/683373266.db2.gz NBZYNXJHAJIQLX-IAGOWNOFSA-N 1 0 359.470 2.425 20 30 FEEDRO C=CCN1CC[C@H]([N@H+](C)C[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)C1=O ZINC000798956993 683407886 /nfs/dbraw/zinc/40/78/86/683407886.db2.gz TXCXHWYLFOSWIP-HNAYVOBHSA-N 1 0 351.491 2.352 20 30 FEEDRO C[NH+](C)CC[C@H](NS(=O)(=O)c1ccc(F)c(C#N)c1)c1cccnc1 ZINC000921481789 683481660 /nfs/dbraw/zinc/48/16/60/683481660.db2.gz TYZYDPTVSLYNDR-KRWDZBQOSA-N 1 0 362.430 2.064 20 30 FEEDRO C[NH+](C)CC[C@@H](NS(=O)(=O)CC1(C#N)CCCCC1)c1cccnc1 ZINC000921480990 683481818 /nfs/dbraw/zinc/48/18/18/683481818.db2.gz YTHHFEMLIBFAQQ-QGZVFWFLSA-N 1 0 364.515 2.468 20 30 FEEDRO CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1C[NH2+]C1CCN(CC#N)CC1 ZINC000862277672 683563240 /nfs/dbraw/zinc/56/32/40/683563240.db2.gz JKUUQOUQAPROIP-CQSZACIVSA-N 1 0 358.433 2.209 20 30 FEEDRO C#CCN(C(=O)NCCc1ccc(F)c(F)c1F)C1CC[NH+](C)CC1 ZINC000921915177 683612172 /nfs/dbraw/zinc/61/21/72/683612172.db2.gz KCQKKXWHSCNPTB-UHFFFAOYSA-N 1 0 353.388 2.385 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCC[C@@H]2CCC(F)(F)C2)CC1 ZINC000930011211 683669140 /nfs/dbraw/zinc/66/91/40/683669140.db2.gz ZRQJHNXHWMFFRH-AWEZNQCLSA-N 1 0 357.445 2.085 20 30 FEEDRO N#Cc1ccc(Br)c(CNC[C@@H]2CCC[N@H+]2CCCO)c1 ZINC000922153044 683670778 /nfs/dbraw/zinc/67/07/78/683670778.db2.gz AAAKHCYCOWSUNA-HNNXBMFYSA-N 1 0 352.276 2.257 20 30 FEEDRO CN(Cc1cc(C#N)cs1)C(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000930212131 683693737 /nfs/dbraw/zinc/69/37/37/683693737.db2.gz IDSXAGRJZPIBEO-HNNXBMFYSA-N 1 0 364.515 2.061 20 30 FEEDRO N#Cc1ccccc1OC[C@H](O)C[NH2+][C@@H]1CC[C@H]2SCCS[C@H]12 ZINC000863553481 683741775 /nfs/dbraw/zinc/74/17/75/683741775.db2.gz CIBDOWOPZJTQPG-MUIFIZLQSA-N 1 0 350.509 2.267 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)NC[C@H](COC)c2ccc(Cl)cc2)CC1 ZINC000922708017 683769968 /nfs/dbraw/zinc/76/99/68/683769968.db2.gz TZYBSNJIPQERKI-MRXNPFEDSA-N 1 0 363.889 2.467 20 30 FEEDRO CC1(C)C[NH2+]CC[C@@H](NC(=O)N2CCN(c3ccsc3C#N)CC2)C1 ZINC000864054907 683798584 /nfs/dbraw/zinc/79/85/84/683798584.db2.gz CYHJIAUEPBLJSZ-CQSZACIVSA-N 1 0 361.515 2.230 20 30 FEEDRO C=C(C)[C@H](CO)[NH+]1CCC(N(C(=O)C(F)(F)F)c2cccnc2)CC1 ZINC000931002355 683816566 /nfs/dbraw/zinc/81/65/66/683816566.db2.gz DHESWLKOROVUAD-HNNXBMFYSA-N 1 0 357.376 2.378 20 30 FEEDRO C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(C#N)CC[NH+](C)CC1 ZINC000865198815 683949894 /nfs/dbraw/zinc/94/98/94/683949894.db2.gz MJWLJXJHPJVYKA-ZDUSSCGKSA-N 1 0 370.881 2.126 20 30 FEEDRO CC1(C)CC[NH2+]CCN1S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000866803701 684156395 /nfs/dbraw/zinc/15/63/95/684156395.db2.gz YSEPSLHUGNDGFY-UHFFFAOYSA-N 1 0 372.288 2.083 20 30 FEEDRO CCCCCCCCCS(=O)(=O)NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000923682074 684329378 /nfs/dbraw/zinc/32/93/78/684329378.db2.gz AFJXCBMFUREGNA-INIZCTEOSA-N 1 0 374.547 2.342 20 30 FEEDRO C[NH+]1CCC2(CCN(S(=O)(=O)Cc3ccc(C#N)cc3F)CC2)CC1 ZINC000867619095 684333342 /nfs/dbraw/zinc/33/33/42/684333342.db2.gz PKUPTKHTAKOEAH-UHFFFAOYSA-N 1 0 365.474 2.335 20 30 FEEDRO N#Cc1ccc(CS(=O)(=O)N2CCC([C@H]3CCC[NH2+]CC3)CC2)cc1 ZINC000923704616 684336326 /nfs/dbraw/zinc/33/63/26/684336326.db2.gz YIYXQZNMJHPMGQ-SFHVURJKSA-N 1 0 361.511 2.490 20 30 FEEDRO C=CC1(CC(=O)N2CC[NH+](CCC)CC2)CN(C(=O)OC(C)(C)C)C1 ZINC000931854001 684357914 /nfs/dbraw/zinc/35/79/14/684357914.db2.gz YIBCRMSKWHAYJQ-UHFFFAOYSA-N 1 0 351.491 2.354 20 30 FEEDRO COc1cc(NC(=O)N[C@H]2CCC[N@@H+]3CCSC[C@H]23)c(F)cc1C#N ZINC000931983718 684382316 /nfs/dbraw/zinc/38/23/16/684382316.db2.gz JVAADDOYRIUVDU-DZGCQCFKSA-N 1 0 364.446 2.407 20 30 FEEDRO N#Cc1cccc([C@@H](NC(=O)N[C@@H](C[NH3+])C(F)(F)F)C(F)(F)F)c1 ZINC000868169523 684460241 /nfs/dbraw/zinc/46/02/41/684460241.db2.gz YLZBWUMENWUOTG-VHSXEESVSA-N 1 0 354.254 2.350 20 30 FEEDRO C=CCOc1ccccc1C[NH2+][C@H](C)C1CCN(S(C)(=O)=O)CC1 ZINC000925026143 684517689 /nfs/dbraw/zinc/51/76/89/684517689.db2.gz DCVJWTLFJRTMFN-OAHLLOKOSA-N 1 0 352.500 2.401 20 30 FEEDRO COCCN(CC1CC[NH+](C)CC1)C(=O)c1ccc(C#N)c(Cl)n1 ZINC000869763633 684652791 /nfs/dbraw/zinc/65/27/91/684652791.db2.gz ZMUJSLXDFWUEDP-UHFFFAOYSA-N 1 0 350.850 2.037 20 30 FEEDRO CC(C)(C)OC(=O)[C@H]1C[C@@H]([NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000872227853 684929655 /nfs/dbraw/zinc/92/96/55/684929655.db2.gz RKTIAWRNIOLBEE-GASCZTMLSA-N 1 0 364.467 2.042 20 30 FEEDRO C[C@@H](C[NH2+]C[C@@H](O)c1ccc(C#N)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000872232129 684929794 /nfs/dbraw/zinc/92/97/94/684929794.db2.gz VXCIPFWVJZDCCK-IFXJQAMLSA-N 1 0 358.463 2.388 20 30 FEEDRO CS[C@H]1CN(S(=O)(=O)c2ccc(C)cc2C#N)C[C@@H]1[NH+]1CCCC1 ZINC000872477380 684960172 /nfs/dbraw/zinc/96/01/72/684960172.db2.gz HWYNJPOYLBHLQC-HOTGVXAUSA-N 1 0 365.524 2.067 20 30 FEEDRO CN(CCC#N)c1ccc(C[NH2+]CC2C[C@H]3CC[C@@H](C2)S3(=O)=O)cc1 ZINC000873172219 685087847 /nfs/dbraw/zinc/08/78/47/685087847.db2.gz PWCWYMCEVLHYAG-JLYLLQBASA-N 1 0 361.511 2.482 20 30 FEEDRO COCC[N@H+](C)CCNC(=O)N[C@@H](c1cccc(C#N)c1)C(F)(F)F ZINC000875216059 685756802 /nfs/dbraw/zinc/75/68/02/685756802.db2.gz OTQFQHSGTKAWAR-AWEZNQCLSA-N 1 0 358.364 2.039 20 30 FEEDRO CCOC(=O)Cc1csc(N(CC[NH+](C)C)C(=O)CC(C)(C)C#N)n1 ZINC000876317306 686175587 /nfs/dbraw/zinc/17/55/87/686175587.db2.gz ULMYPAISWUMYEC-UHFFFAOYSA-N 1 0 366.487 2.083 20 30 FEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1ccc(C)c(S(=O)(=O)N(CC)CC)c1 ZINC000876549847 686217668 /nfs/dbraw/zinc/21/76/68/686217668.db2.gz WTNYZPMLFSMOON-CQSZACIVSA-N 1 0 373.906 2.434 20 30 FEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)NC1CCN(C(=O)c2ccccc2F)CC1 ZINC000876581364 686223916 /nfs/dbraw/zinc/22/39/16/686223916.db2.gz HMJRBURKKWXDTI-OAHLLOKOSA-N 1 0 353.825 2.016 20 30 FEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@@H](CC)c1ccccc1OCC(=O)N(C)C ZINC000876592520 686225728 /nfs/dbraw/zinc/22/57/28/686225728.db2.gz SVPGIUIVBBNSOJ-CABCVRRESA-N 1 0 367.877 2.191 20 30 FEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)NCCCc1nnc(SC)n1CC(C)C ZINC000876602988 686226552 /nfs/dbraw/zinc/22/65/52/686226552.db2.gz IQMYKIJFXYBYMO-GFCCVEGCSA-N 1 0 359.927 2.175 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)Nc1ccc(CC(=O)N2CCSCC2)cc1 ZINC000876633024 686233245 /nfs/dbraw/zinc/23/32/45/686233245.db2.gz QERBQDCOQFGJET-HNNXBMFYSA-N 1 0 367.902 2.213 20 30 FEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)NCCC(=O)Nc1cc(Cl)ccc1OC ZINC000876697118 686245828 /nfs/dbraw/zinc/24/58/28/686245828.db2.gz QHHMEXKXOKQGSQ-LLVKDONJSA-N 1 0 360.241 2.263 20 30 FEEDRO CO[C@H](C)c1nc(CNC(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)cs1 ZINC000876781476 686267306 /nfs/dbraw/zinc/26/73/06/686267306.db2.gz LZIAXRLHHRGIFA-BDJLRTHQSA-N 1 0 356.451 2.225 20 30 FEEDRO CCOC(=O)C[C@@H](NC(=O)C#CC1CC[NH2+]CC1)c1ccccc1Cl ZINC000877432753 686376009 /nfs/dbraw/zinc/37/60/09/686376009.db2.gz GFFSYEMRKMQQGM-QGZVFWFLSA-N 1 0 362.857 2.454 20 30 FEEDRO N#Cc1cnc(Cl)c(CNCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)c1 ZINC000877625214 686424977 /nfs/dbraw/zinc/42/49/77/686424977.db2.gz WXTPQNACZROAIW-GOSISDBHSA-N 1 0 356.857 2.463 20 30 FEEDRO C[NH+](C)CCC[C@H]1CN(c2ncc(C#N)cc2Br)CCO1 ZINC000882640021 687421960 /nfs/dbraw/zinc/42/19/60/687421960.db2.gz PWNHJDWQKSFSSG-ZDUSSCGKSA-N 1 0 353.264 2.263 20 30 FEEDRO N#Cc1cc(Br)cnc1N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000882727498 687458137 /nfs/dbraw/zinc/45/81/37/687458137.db2.gz XYISABAJQQRWHT-OAHLLOKOSA-N 1 0 365.275 2.453 20 30 FEEDRO N#Cc1nc(NC(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)ccc1Br ZINC000883080003 687558745 /nfs/dbraw/zinc/55/87/45/687558745.db2.gz MWUWIUGBYVVAEY-QWRGUYRKSA-N 1 0 364.247 2.464 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N(C)[C@@H]1CCOC[C@@H]1OC)C(C)C ZINC000883130720 687573284 /nfs/dbraw/zinc/57/32/84/687573284.db2.gz PWXFAWIGZBMYLB-KURKYZTESA-N 1 0 353.507 2.130 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N(C)[C@@H]1CCOC[C@H]1OC)C(C)C ZINC000883130721 687573673 /nfs/dbraw/zinc/57/36/73/687573673.db2.gz PWXFAWIGZBMYLB-KZNAEPCWSA-N 1 0 353.507 2.130 20 30 FEEDRO C=CCC[C@@H]([NH2+]CCS(=O)(=O)NCc1ccccc1)[C@H]1CCCO1 ZINC000883178012 687582947 /nfs/dbraw/zinc/58/29/47/687582947.db2.gz NMRJIXOBRGHZOX-QZTJIDSGSA-N 1 0 352.500 2.209 20 30 FEEDRO C[NH2+]C[C@H]1CCCCN1S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000883473655 687640456 /nfs/dbraw/zinc/64/04/56/687640456.db2.gz HJEMSRYLJAPPAP-GFCCVEGCSA-N 1 0 372.288 2.083 20 30 FEEDRO N#C[C@H]1C[NH2+]CC12CC(C(=O)NCCc1ccc(Br)s1)C2 ZINC000884064464 687782382 /nfs/dbraw/zinc/78/23/82/687782382.db2.gz IYCBFPAIJIAFHX-VTWZXRTESA-N 1 0 368.300 2.309 20 30 FEEDRO N#C[C@H]1C[NH2+]CC12CC(C(=O)N1CCO[C@@H](c3ccccc3Cl)C1)C2 ZINC000884124940 687795330 /nfs/dbraw/zinc/79/53/30/687795330.db2.gz LQXAFODLCFSXNE-BOLVRDICSA-N 1 0 359.857 2.379 20 30 FEEDRO N#C[C@H]1C[NH2+]CC12CC(C(=O)NC[C@@H](O)c1cc(Cl)cc(Cl)c1)C2 ZINC000884144989 687799493 /nfs/dbraw/zinc/79/94/93/687799493.db2.gz ZLNRWUNMDKORPZ-XLFQCTOWSA-N 1 0 368.264 2.282 20 30 FEEDRO Cc1cc(C)c(CC(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)c(C)c1Br ZINC000884249956 687829249 /nfs/dbraw/zinc/82/92/49/687829249.db2.gz UXDQEIXNAFWWOV-GXTWGEPZSA-N 1 0 350.260 2.145 20 30 FEEDRO Cc1cc(Br)cc(NC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)c1N ZINC000884250799 687829502 /nfs/dbraw/zinc/82/95/02/687829502.db2.gz OMSJRLMJXIYGDM-CSJGVYOVSA-N 1 0 363.259 2.418 20 30 FEEDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000885457917 688077646 /nfs/dbraw/zinc/07/76/46/688077646.db2.gz ZOBQLZUOWBCYBZ-OLZOCXBDSA-N 1 0 355.410 2.084 20 30 FEEDRO C#CCN(C(=O)COc1ccc(Br)cc1)C1CC[NH+](C)CC1 ZINC000886589239 688280373 /nfs/dbraw/zinc/28/03/73/688280373.db2.gz OEMHIQOOULQSFP-UHFFFAOYSA-N 1 0 365.271 2.384 20 30 FEEDRO C#CCC1([NH2+]CC(=O)Nc2sc(C)c(C)c2C(=O)OC)CCOCC1 ZINC000887123271 688369679 /nfs/dbraw/zinc/36/96/79/688369679.db2.gz HSKKBMWTYSLWOB-UHFFFAOYSA-N 1 0 364.467 2.252 20 30 FEEDRO C#CCC1([NH2+]CC(=O)Nc2cc(OC)c(Cl)cc2OC)CCOCC1 ZINC000887123440 688369725 /nfs/dbraw/zinc/36/97/25/688369725.db2.gz PEELWLYDBUORSM-UHFFFAOYSA-N 1 0 366.845 2.458 20 30 FEEDRO C#CCC1([NH2+]CC(=O)Nc2ccnn2Cc2cccs2)CCOCC1 ZINC000887125598 688370236 /nfs/dbraw/zinc/37/02/36/688370236.db2.gz CEUAOMKLXOOYCI-UHFFFAOYSA-N 1 0 358.467 2.094 20 30 FEEDRO N#Cc1sc(NC(=O)N2CCC[C@@H]([NH2+]C3CCOCC3)C2)nc1Cl ZINC000888427838 688610982 /nfs/dbraw/zinc/61/09/82/688610982.db2.gz FUANYMCENHEFSQ-LLVKDONJSA-N 1 0 369.878 2.433 20 30 FEEDRO C[N@@H+]1C[C@@H]2CCN(C(=O)NCC#Cc3cccc(C(F)(F)F)c3)[C@@H]2C1 ZINC000891717298 689096741 /nfs/dbraw/zinc/09/67/41/689096741.db2.gz COQKUZDAVJSKTF-GOEBONIOSA-N 1 0 351.372 2.402 20 30 FEEDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]C2CCN(CC#N)CC2)C[C@@H]1C(F)(F)F ZINC000892908213 689263171 /nfs/dbraw/zinc/26/31/71/689263171.db2.gz DCDTUVCHRKEJEJ-ZNMIVQPWSA-N 1 0 361.408 2.474 20 30 FEEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]CC1(S(=O)(=O)NC(C)(C)C)CCC1 ZINC000896282243 689848770 /nfs/dbraw/zinc/84/87/70/689848770.db2.gz JEVPFTOFPUWRHV-OAHLLOKOSA-N 1 0 371.547 2.316 20 30 FEEDRO CN(Cc1cc(C#N)cs1)C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000896608984 689905602 /nfs/dbraw/zinc/90/56/02/689905602.db2.gz KRBQUIOIATXQEE-LSDHHAIUSA-N 1 0 350.513 2.341 20 30 FEEDRO C=CCOc1ccc(C[NH+]2CCC3(CC2)C[C@H](O)CNC3=O)cc1Cl ZINC000897040416 689966631 /nfs/dbraw/zinc/96/66/31/689966631.db2.gz HZKRTGUEVGKZCG-HNNXBMFYSA-N 1 0 364.873 2.368 20 30 FEEDRO COc1ncc(Br)cc1C[NH2+]CCNc1ccc(C#N)cn1 ZINC000897395864 690016371 /nfs/dbraw/zinc/01/63/71/690016371.db2.gz KFWNVTRNFOGATM-UHFFFAOYSA-N 1 0 362.231 2.321 20 30 FEEDRO C[C@]1(C#N)CN(C(=S)NC2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC000899636083 690394598 /nfs/dbraw/zinc/39/45/98/690394598.db2.gz WZRHRSYKMAQLHW-IBGZPJMESA-N 1 0 358.511 2.140 20 30 FEEDRO CC(C)NS(=O)(=O)c1cccc(CN[C@H](C)c2cc(C#N)ccn2)c1 ZINC000902759642 690805809 /nfs/dbraw/zinc/80/58/09/690805809.db2.gz BDOBJOCILCFSDU-CQSZACIVSA-N 1 0 358.467 2.491 20 30 FEEDRO C[C@@H]([NH2+]Cc1ccc(CS(=O)(=O)N(C)C)cc1)c1cc(C#N)ccn1 ZINC000903172992 690860932 /nfs/dbraw/zinc/86/09/32/690860932.db2.gz ICWLSTVMJLIFDN-CQSZACIVSA-N 1 0 358.467 2.195 20 30 FEEDRO N#Cc1cc(S(=O)(=O)N2CCC[C@@H](CC[NH3+])C2)ccc1Br ZINC000903497737 690901499 /nfs/dbraw/zinc/90/14/99/690901499.db2.gz ODLOZLDLDKFCDJ-NSHDSACASA-N 1 0 372.288 2.070 20 30 FEEDRO CN(CCCCCC[NH3+])S(=O)(=O)c1ccc(Br)c(C#N)c1 ZINC000903515931 690907284 /nfs/dbraw/zinc/90/72/84/690907284.db2.gz VIGLOTFBDFRDNJ-UHFFFAOYSA-N 1 0 374.304 2.460 20 30 FEEDRO Cc1cc(C#N)cc(C)c1CS(=O)(=O)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000903526185 690911975 /nfs/dbraw/zinc/91/19/75/690911975.db2.gz CEORWSSJUDIBQQ-LJQANCHMSA-N 1 0 361.511 2.471 20 30 FEEDRO C#CCC[NH+]1CCC(NS(=O)(=O)c2cc(F)ccc2OC(C)C)CC1 ZINC000903637359 690946467 /nfs/dbraw/zinc/94/64/67/690946467.db2.gz KGQZEGULJMTLCA-UHFFFAOYSA-N 1 0 368.474 2.379 20 30 FEEDRO CO[C@H](C)c1nc(Cc2noc(C3CC4(C3)C[NH2+]C[C@H]4C#N)n2)cs1 ZINC000904098568 691002522 /nfs/dbraw/zinc/00/25/22/691002522.db2.gz BWRWSQFLOROYAD-KRVINZRLSA-N 1 0 359.455 2.431 20 30 FEEDRO C=C(C[NH2+]C[C@@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1)c1ccccc1 ZINC000905262136 691091132 /nfs/dbraw/zinc/09/11/32/691091132.db2.gz OGYYINYJDDZYOJ-QGZVFWFLSA-N 1 0 366.527 2.291 20 30 FEEDRO CC(C)[NH2+]Cc1cn(CC(=O)N(CCC#N)c2cccc(Cl)c2)nn1 ZINC000905787574 691174359 /nfs/dbraw/zinc/17/43/59/691174359.db2.gz NCYSAFRLAMVRJG-UHFFFAOYSA-N 1 0 360.849 2.376 20 30 FEEDRO CC(C)[NH2+]Cc1cn([C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)nn1 ZINC000905789833 691174785 /nfs/dbraw/zinc/17/47/85/691174785.db2.gz IGVMTJAAOSBZRB-LLVKDONJSA-N 1 0 358.471 2.398 20 30 FEEDRO CC(C)(C)c1csc(NC(=O)C(=O)N2CCC[C@]23CC[NH2+]C3)c1C#N ZINC000906770858 691313184 /nfs/dbraw/zinc/31/31/84/691313184.db2.gz KXNWFBVBWNYFFR-GOSISDBHSA-N 1 0 360.483 2.210 20 30 FEEDRO C=CCC1(C(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)CN(C(=O)OC(C)(C)C)C1 ZINC000906798117 691317845 /nfs/dbraw/zinc/31/78/45/691317845.db2.gz NXBWHZVBEUFYBQ-LSDHHAIUSA-N 1 0 351.491 2.399 20 30 FEEDRO C[NH+](C)CCCN(Cc1ccccc1)S(=O)(=O)c1ccc(C#N)cn1 ZINC000906808281 691319524 /nfs/dbraw/zinc/31/95/24/691319524.db2.gz SQVSOAJMAHYYAV-UHFFFAOYSA-N 1 0 358.467 2.096 20 30 FEEDRO C#Cc1ccc(S(=O)(=O)NCc2ccccc2OCC[NH+](C)C)cc1 ZINC000906888378 691337158 /nfs/dbraw/zinc/33/71/58/691337158.db2.gz VXWBOOHCRIPDGH-UHFFFAOYSA-N 1 0 358.463 2.087 20 30 FEEDRO CC(C)N(CC[NH+](C)C)S(=O)(=O)c1ccc(Br)c(C#N)c1 ZINC000907065343 691385380 /nfs/dbraw/zinc/38/53/80/691385380.db2.gz IBLUBIFCRUHVTO-UHFFFAOYSA-N 1 0 374.304 2.281 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)N[C@H](C(=O)OC)c1ccc(OC)c(Cl)c1 ZINC000907458237 691487905 /nfs/dbraw/zinc/48/79/05/691487905.db2.gz WMIKLRYNTSGYAC-HNNXBMFYSA-N 1 0 354.834 2.187 20 30 FEEDRO C[N@@H+]1C[C@@H]2CN(S(=O)(=O)c3c(C#N)sc4ccccc43)C[C@]2(C)C1 ZINC000907557981 691518939 /nfs/dbraw/zinc/51/89/39/691518939.db2.gz QZBJYLIFVXBTOP-PXAZEXFGSA-N 1 0 361.492 2.345 20 30 FEEDRO CCOC(=O)c1cc(C#N)c(Cl)nc1C(F)(F)N1CCC[C@@H]2[NH2+]C[C@H]21 ZINC001164450502 718997833 /nfs/dbraw/zinc/99/78/33/718997833.db2.gz XLHZGOUENWRZGY-NWDGAFQWSA-N 1 0 370.787 2.269 20 30 FEEDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nccc(OC)c1C#N)C2 ZINC001164814367 720100732 /nfs/dbraw/zinc/10/07/32/720100732.db2.gz SDAGLHRWHIGOES-OXJNMPFZSA-N 1 0 356.470 2.147 20 30 FEEDRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2nccc(C#N)c2F)CC1 ZINC001164829688 720317684 /nfs/dbraw/zinc/31/76/84/720317684.db2.gz NBIFGTIDDQFCOK-DLBZAZTESA-N 1 0 371.460 2.004 20 30 FEEDRO COc1nc(N2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)c(F)cc1C#N ZINC001164732869 720427521 /nfs/dbraw/zinc/42/75/21/720427521.db2.gz OTPPMUFDCIYNOC-DLBZAZTESA-N 1 0 353.401 2.349 20 30 FEEDRO N#Cc1cc2nc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)ccc2[nH]1 ZINC001164880679 721134723 /nfs/dbraw/zinc/13/47/23/721134723.db2.gz WZGMFVVAESZNMB-QZTJIDSGSA-N 1 0 374.448 2.309 20 30 FEEDRO Cc1nc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)cnc1C#N ZINC001164912381 721548642 /nfs/dbraw/zinc/54/86/42/721548642.db2.gz ZJXHWTNLUGLBPD-RDJZCZTQSA-N 1 0 353.401 2.138 20 30 FEEDRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2C(F)(F)c1ccc(C#N)c(Cl)n1 ZINC001164926621 721849908 /nfs/dbraw/zinc/84/99/08/721849908.db2.gz IEFUHMREEJIWGD-UONOGXRCSA-N 1 0 369.847 2.366 20 30 FEEDRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2C(F)(F)c1ccc(Cl)nc1C#N ZINC001164928048 721858186 /nfs/dbraw/zinc/85/81/86/721858186.db2.gz MWCLNUFTOJIDTM-LSDHHAIUSA-N 1 0 369.847 2.366 20 30 FEEDRO N#Cc1cc(N2CC[NH+](C[C@@H]3CCCO3)CC2)nc2ccc([N+](=O)[O-])cc12 ZINC000610514220 721924258 /nfs/dbraw/zinc/92/42/58/721924258.db2.gz XYEFFAVTCKOCNP-INIZCTEOSA-N 1 0 367.409 2.316 20 30 FEEDRO CC(C)N1CC[C@@H]([NH2+]CC(=O)NCC#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000549344663 674035176 /nfs/dbraw/zinc/03/51/76/674035176.db2.gz VADSHRILCDFUQZ-NVXWUHKLSA-N 1 0 352.841 2.232 20 30 FEEDRO CC(C)N1CC[C@@H]([NH2+]CC(=O)NCC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000549344665 674035292 /nfs/dbraw/zinc/03/52/92/674035292.db2.gz VADSHRILCDFUQZ-WBVHZDCISA-N 1 0 352.841 2.232 20 30 FEEDRO N#Cc1ccc(C[N@H+]2CCCN([C@@H](C(N)=O)c3ccc(F)cc3)CC2)cc1 ZINC000022136709 539691646 /nfs/dbraw/zinc/69/16/46/539691646.db2.gz XKRFNCQTEXDUHC-HXUWFJFHSA-N 1 0 366.440 2.432 20 30 FEEDRO N#Cc1ccnc(N2CC[NH+](CCC(=O)Nc3ccccc3F)CC2)c1 ZINC000025941135 539772537 /nfs/dbraw/zinc/77/25/37/539772537.db2.gz UBTAVJRINAJVBM-UHFFFAOYSA-N 1 0 353.401 2.243 20 30 FEEDRO CNC(=O)c1ccc(C[N@H+](C)CCC(=O)Nc2ccc(C#N)cc2)cc1 ZINC000029931537 539869064 /nfs/dbraw/zinc/86/90/64/539869064.db2.gz XVMXNXPINQJIRX-UHFFFAOYSA-N 1 0 350.422 2.378 20 30 FEEDRO C=CCNS(=O)(=O)c1cccc(C(=O)Nc2cccc(C[NH+](C)C)c2)c1 ZINC000047460186 540312522 /nfs/dbraw/zinc/31/25/22/540312522.db2.gz BTPUMXDPTCOWEO-UHFFFAOYSA-N 1 0 373.478 2.465 20 30 FEEDRO CCC[N@H+](CC(=O)N1CCC(C(=O)OC)CC1)Cc1ccc(C#N)cc1 ZINC000047739971 540326531 /nfs/dbraw/zinc/32/65/31/540326531.db2.gz JHKHBGGSGXEMHL-UHFFFAOYSA-N 1 0 357.454 2.182 20 30 FEEDRO C[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cn1 ZINC000053745602 540552097 /nfs/dbraw/zinc/55/20/97/540552097.db2.gz KDAONEQPBLESJH-OAHLLOKOSA-N 1 0 365.437 2.111 20 30 FEEDRO N#Cc1ccccc1NC(=O)CC[NH+]1CCC(C(=O)N2CCCC2)CC1 ZINC000054429576 540590515 /nfs/dbraw/zinc/59/05/15/540590515.db2.gz KFGBOODLFFZATI-UHFFFAOYSA-N 1 0 354.454 2.221 20 30 FEEDRO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000076300397 542257700 /nfs/dbraw/zinc/25/77/00/542257700.db2.gz QFVFMXBZCAFHQT-NSHDSACASA-N 1 0 370.375 2.362 20 30 FEEDRO Cc1[nH]nc2ncc(C(=O)N(CC[NH+](C)C)Cc3ccc(C#N)cc3)cc12 ZINC000056016067 540694321 /nfs/dbraw/zinc/69/43/21/540694321.db2.gz DZJLMYGIXCZPIK-UHFFFAOYSA-N 1 0 362.437 2.342 20 30 FEEDRO COCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000058437061 540843048 /nfs/dbraw/zinc/84/30/48/540843048.db2.gz KHXUMIGAZYRKLT-IBGZPJMESA-N 1 0 358.486 2.447 20 30 FEEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)CCCNC(=O)C(C)(C)C ZINC000065930753 541272221 /nfs/dbraw/zinc/27/22/21/541272221.db2.gz IEQIEVQOOYNZNK-UHFFFAOYSA-N 1 0 372.513 2.391 20 30 FEEDRO CC(C)N(C(=O)[C@H](C)[N@@H+]1CCCN(c2ncccc2C#N)CC1)C(C)C ZINC000066437550 541318496 /nfs/dbraw/zinc/31/84/96/541318496.db2.gz JJDRRAJDDATLDR-KRWDZBQOSA-N 1 0 357.502 2.499 20 30 FEEDRO N#CCCN(C(=O)CCC(=O)N[C@@H]1CC[N@H+](CC2CC2)C1)c1ccccc1 ZINC000066638899 541352173 /nfs/dbraw/zinc/35/21/73/541352173.db2.gz JYCARHVTPMYXHF-GOSISDBHSA-N 1 0 368.481 2.314 20 30 FEEDRO C[C@H](NC(=O)OC(C)(C)C)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000067202761 541432498 /nfs/dbraw/zinc/43/24/98/541432498.db2.gz MJJXOLQTZYOVEB-HNNXBMFYSA-N 1 0 374.485 2.362 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)Nc2cccc(-c3nc(CC)cc(=O)[nH]3)c2)CC1 ZINC000067710000 541503554 /nfs/dbraw/zinc/50/35/54/541503554.db2.gz YVCXKVHNMDCDDT-UHFFFAOYSA-N 1 0 364.449 2.283 20 30 FEEDRO CNC(=O)[C@@H]1CCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000067978825 541535243 /nfs/dbraw/zinc/53/52/43/541535243.db2.gz YCUHUKDXJJXGTE-AWEZNQCLSA-N 1 0 360.483 2.038 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N=c2cc(C)n([C@@H](C)C3CC3)[nH]2)CC1 ZINC000543259969 541561644 /nfs/dbraw/zinc/56/16/44/541561644.db2.gz DNPWJLAZBNJXLF-HNNXBMFYSA-N 1 0 373.501 2.258 20 30 FEEDRO C[NH+]1CCC(C#N)(NC(=O)CCOc2ccccc2Br)CC1 ZINC000068432296 541591343 /nfs/dbraw/zinc/59/13/43/541591343.db2.gz MSNPJSWYWXNHPO-UHFFFAOYSA-N 1 0 366.259 2.322 20 30 FEEDRO C[NH+](C)CC(C)(C)CNS(=O)(=O)c1cc(Br)ccc1C#N ZINC000550827385 674113227 /nfs/dbraw/zinc/11/32/27/674113227.db2.gz NSJSBQYDIJIVKA-UHFFFAOYSA-N 1 0 374.304 2.187 20 30 FEEDRO N#CCCN(CCC#N)C(=O)C[N@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000070975973 541755900 /nfs/dbraw/zinc/75/59/00/541755900.db2.gz ZEBYNLXFEZSEDR-GOSISDBHSA-N 1 0 370.453 2.029 20 30 FEEDRO N#CCSCCC[NH+]1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000072514820 541824604 /nfs/dbraw/zinc/82/46/04/541824604.db2.gz JTVAIGJOXAVRLP-UHFFFAOYSA-N 1 0 371.503 2.215 20 30 FEEDRO CC[NH+](CC)CCOC1CCN(CC(=O)Nc2cccc(C#N)c2)CC1 ZINC000072694630 541852605 /nfs/dbraw/zinc/85/26/05/541852605.db2.gz QWJZACYNBMDBOS-UHFFFAOYSA-N 1 0 358.486 2.320 20 30 FEEDRO NC(=[NH+]OCCOc1ccccc1)c1ccc(N2CCC(O)CC2)cc1 ZINC000072921408 541894035 /nfs/dbraw/zinc/89/40/35/541894035.db2.gz PTBMTXGDUBPNHM-UHFFFAOYSA-N 1 0 355.438 2.364 20 30 FEEDRO N#Cc1ccc(C[N@H+]2CCCN(c3ncc([N+](=O)[O-])cc3C#N)CC2)cc1 ZINC000073109740 541920138 /nfs/dbraw/zinc/92/01/38/541920138.db2.gz YEFUQZGVRSMSPM-UHFFFAOYSA-N 1 0 362.393 2.445 20 30 FEEDRO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NCC1([NH+](C)C)CCOCC1 ZINC000073131674 541922374 /nfs/dbraw/zinc/92/23/74/541922374.db2.gz DPGIGPOUALKLNU-GOSISDBHSA-N 1 0 359.470 2.189 20 30 FEEDRO CN1CCC(CNC(=O)NCc2ccc(C#N)cc2)([NH+]2CCCCC2)CC1 ZINC000073630564 541977838 /nfs/dbraw/zinc/97/78/38/541977838.db2.gz LWYKBXGIXPTECS-UHFFFAOYSA-N 1 0 369.513 2.308 20 30 FEEDRO CC[NH+](CC)CCSCC(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 ZINC000073681487 541986577 /nfs/dbraw/zinc/98/65/77/541986577.db2.gz FFIOAJVMJWMGTF-IBGZPJMESA-N 1 0 374.554 2.298 20 30 FEEDRO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2cccc(OCCCC#N)c2)C1 ZINC000076673429 542311051 /nfs/dbraw/zinc/31/10/51/542311051.db2.gz LVAQQQPYFUOOQH-MRXNPFEDSA-N 1 0 372.469 2.108 20 30 FEEDRO C[NH+]1CCN(c2ccc(CNc3c(C#N)nnc4ccccc43)cn2)CC1 ZINC000077188387 542352881 /nfs/dbraw/zinc/35/28/81/542352881.db2.gz DGECLVYWDADJEY-UHFFFAOYSA-N 1 0 359.437 2.260 20 30 FEEDRO C[C@H](C#N)CSc1ccccc1NC(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000077466339 542385106 /nfs/dbraw/zinc/38/51/06/542385106.db2.gz HIRFMYXFJALHGT-CABCVRRESA-N 1 0 361.515 2.306 20 30 FEEDRO COC(=O)[C@@H](C)[C@H]([NH2+]CC(=O)NC1(C#N)CCCCC1)c1ccccc1 ZINC000079921994 542550480 /nfs/dbraw/zinc/55/04/80/542550480.db2.gz ONVYQIATJVULIR-YJBOKZPZSA-N 1 0 357.454 2.469 20 30 FEEDRO C[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)NC1(C#N)CC[NH+](C)CC1 ZINC000080011848 542557905 /nfs/dbraw/zinc/55/79/05/542557905.db2.gz CIXORHNGRVSRCL-OAHLLOKOSA-N 1 0 370.497 2.207 20 30 FEEDRO C[NH+]1CCN(c2ccc(NC(=O)[C@@H]3C[C@H]3c3cccc(C#N)c3)cn2)CC1 ZINC000081127019 542636072 /nfs/dbraw/zinc/63/60/72/542636072.db2.gz PHUBONNBKPGJKE-RBUKOAKNSA-N 1 0 361.449 2.447 20 30 FEEDRO C[NH+]1CCN(Cc2cccc(C(=O)NCc3ccc(C#N)cc3F)c2)CC1 ZINC000081355320 542650180 /nfs/dbraw/zinc/65/01/80/542650180.db2.gz BEGYAWDPXIVJHE-UHFFFAOYSA-N 1 0 366.440 2.375 20 30 FEEDRO C[NH+]=C(NCc1cc(N(C)C)nc2ccccc12)N1CC[C@H](COC)C1 ZINC000086725201 542740321 /nfs/dbraw/zinc/74/03/21/542740321.db2.gz CPPSLNXUWRRSKA-HNNXBMFYSA-N 1 0 355.486 2.345 20 30 FEEDRO CC(C)n1cc(C#N)c(NC(=O)C(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)n1 ZINC000091194209 542797690 /nfs/dbraw/zinc/79/76/90/542797690.db2.gz YLQBJBYIFHWLII-HNNXBMFYSA-N 1 0 374.489 2.045 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N[C@@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)cc2)CC1 ZINC000091771163 542825097 /nfs/dbraw/zinc/82/50/97/542825097.db2.gz NVNNTUVKNKMKTK-MJGOQNOKSA-N 1 0 373.884 2.073 20 30 FEEDRO C[N@@H+]1CCC[C@H]1CNC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000092217300 542849063 /nfs/dbraw/zinc/84/90/63/542849063.db2.gz NOBXMGIEENOMRX-CGZBRXJRSA-N 1 0 357.458 2.037 20 30 FEEDRO CCN(CCC#N)C(=O)C[NH+]1CCC(OCc2ccccc2OC)CC1 ZINC000092424590 542863747 /nfs/dbraw/zinc/86/37/47/542863747.db2.gz YJVPDTMLJQGIHT-UHFFFAOYSA-N 1 0 359.470 2.438 20 30 FEEDRO CN(CCC#N)C(=O)CC[NH+]1CCN(c2nc3ccccc3s2)CC1 ZINC000092802746 542887893 /nfs/dbraw/zinc/88/78/93/542887893.db2.gz VSYKCBKZCZQLKS-UHFFFAOYSA-N 1 0 357.483 2.180 20 30 FEEDRO COCc1ccccc1NC(=[NH2+])NC[C@H]1CCCN(c2ncccn2)C1 ZINC000093887680 542944191 /nfs/dbraw/zinc/94/41/91/542944191.db2.gz DGEQIWNFHCFHDG-OAHLLOKOSA-N 1 0 354.458 2.266 20 30 FEEDRO CC[NH+](CC)[C@H](C)CNC(=O)N1CCN(c2ccc(C#N)cc2F)CC1 ZINC000101786761 543045104 /nfs/dbraw/zinc/04/51/04/543045104.db2.gz RUSDHIKAOXAMMC-OAHLLOKOSA-N 1 0 361.465 2.259 20 30 FEEDRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)CSc1ccc(C#N)cc1 ZINC000103206509 543097174 /nfs/dbraw/zinc/09/71/74/543097174.db2.gz RUCLHHNVNBEZDG-UHFFFAOYSA-N 1 0 360.527 2.135 20 30 FEEDRO COc1ccccc1C[N@H+](CCO)CCC(=O)Nc1ccccc1C#N ZINC000103482422 543111963 /nfs/dbraw/zinc/11/19/63/543111963.db2.gz RKCGSFVMLLKKCA-UHFFFAOYSA-N 1 0 353.422 2.390 20 30 FEEDRO COCCN(CC[NH+](C)C)C(=O)CSc1nc(C)c(C)c(C)c1C#N ZINC000104555722 543133991 /nfs/dbraw/zinc/13/39/91/543133991.db2.gz QITQXIXFXBHSGW-UHFFFAOYSA-N 1 0 364.515 2.007 20 30 FEEDRO COc1ccnc(N2CC[NH+](CCC(=O)Nc3ccc(C#N)cc3)CC2)c1 ZINC000104719862 543139172 /nfs/dbraw/zinc/13/91/72/543139172.db2.gz LEVQACPWYHGKNP-UHFFFAOYSA-N 1 0 365.437 2.113 20 30 FEEDRO C=CCc1ccccc1OC[C@H](O)C[NH+]1CCC(N2CCCC2=O)CC1 ZINC000104968003 543152928 /nfs/dbraw/zinc/15/29/28/543152928.db2.gz RHDKOMITUMKUCJ-LJQANCHMSA-N 1 0 358.482 2.242 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)CCn2cnc3sccc3c2=O)CC1 ZINC000106037349 543186073 /nfs/dbraw/zinc/18/60/73/543186073.db2.gz AILZMWBVFFOPSH-UHFFFAOYSA-N 1 0 360.483 2.005 20 30 FEEDRO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+](C)C[C@@H]1CCCN1c1cccnn1 ZINC000106087252 543193808 /nfs/dbraw/zinc/19/38/08/543193808.db2.gz BDZULLLLLCDDHQ-SJORKVTESA-N 1 0 370.501 2.108 20 30 FEEDRO N#CCCSc1ccccc1NC(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000108607331 543297128 /nfs/dbraw/zinc/29/71/28/543297128.db2.gz MXAMGUJCUQWBDY-CQSZACIVSA-N 1 0 372.494 2.231 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)[C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC000108787097 543303540 /nfs/dbraw/zinc/30/35/40/543303540.db2.gz OJMLLHUYWUJHOZ-IBGZPJMESA-N 1 0 370.497 2.233 20 30 FEEDRO CC(C)[C@H](Oc1ccccc1C#N)C(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC000110866699 543371331 /nfs/dbraw/zinc/37/13/31/543371331.db2.gz QEQUGNHSUNWSME-FQEVSTJZSA-N 1 0 372.513 2.058 20 30 FEEDRO C=CC1CC[NH+]([C@H](C)C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)CC1 ZINC000111257831 543389892 /nfs/dbraw/zinc/38/98/92/543389892.db2.gz WDMLEKJYSHETOS-LLVKDONJSA-N 1 0 369.387 2.445 20 30 FEEDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)NC1CCN(c2ccc(C#N)cn2)CC1 ZINC000111489024 543403579 /nfs/dbraw/zinc/40/35/79/543403579.db2.gz XOARIXORTNNJCV-SFHVURJKSA-N 1 0 370.501 2.096 20 30 FEEDRO C=CC1CCN(C(=O)C(=O)Nc2ccc(OCCC[NH+](C)C)cc2)CC1 ZINC000111912682 543424937 /nfs/dbraw/zinc/42/49/37/543424937.db2.gz XENUXMYOCBIAGP-UHFFFAOYSA-N 1 0 359.470 2.380 20 30 FEEDRO CN(C)C(=O)CNC(N[C@@H]1CCOc2ccccc21)=[NH+]C1CCCCC1 ZINC000114088889 543503944 /nfs/dbraw/zinc/50/39/44/543503944.db2.gz CTDQRIFEENTGEN-QGZVFWFLSA-N 1 0 358.486 2.466 20 30 FEEDRO C=CCNC(=O)Nc1ccc(NC(=O)Nc2cnn(CC[NH+](C)C)c2)cc1 ZINC000117460635 543632771 /nfs/dbraw/zinc/63/27/71/543632771.db2.gz RHSLMRNIOWCXMA-UHFFFAOYSA-N 1 0 371.445 2.396 20 30 FEEDRO C=CCNC(=O)NC(=O)[C@@H](C)N1CCC(Oc2ccc(F)cc2F)CC1 ZINC000120796150 543685092 /nfs/dbraw/zinc/68/50/92/543685092.db2.gz JSOOIJKCKQGEGN-GFCCVEGCSA-N 1 0 367.396 2.208 20 30 FEEDRO C=CCCS(=O)(=O)NCc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000119606809 543670080 /nfs/dbraw/zinc/67/00/80/543670080.db2.gz WXSIASVPATUCJG-HOTGVXAUSA-N 1 0 352.500 2.291 20 30 FEEDRO N#CCC[C@H](C#N)CN1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000120298438 543677861 /nfs/dbraw/zinc/67/78/61/543677861.db2.gz PRMCIARGNFCJMY-GOSISDBHSA-N 1 0 359.518 2.134 20 30 FEEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCCC[C@@H]2CC(N)=O)c1 ZINC000120572186 543682341 /nfs/dbraw/zinc/68/23/41/543682341.db2.gz YQVVJXLQSNOKOQ-QGZVFWFLSA-N 1 0 356.470 2.280 20 30 FEEDRO C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(C#N)cc2)C[N@@H+]1Cc1ccccc1 ZINC000122916731 543731527 /nfs/dbraw/zinc/73/15/27/543731527.db2.gz HIQMVCCTWFCYST-DNVCBOLYSA-N 1 0 362.433 2.276 20 30 FEEDRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000122985532 543735936 /nfs/dbraw/zinc/73/59/36/543735936.db2.gz PBRHPLSUSVVISJ-HUUCEWRRSA-N 1 0 353.875 2.459 20 30 FEEDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)C1 ZINC000121971820 543702115 /nfs/dbraw/zinc/70/21/15/543702115.db2.gz VRKRVDWZZOHGTM-MAUKXSAKSA-N 1 0 368.481 2.369 20 30 FEEDRO C=CCCOCCNC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)nc1 ZINC000122475324 543707250 /nfs/dbraw/zinc/70/72/50/543707250.db2.gz ABUMIYBXJJKDEQ-HOTGVXAUSA-N 1 0 362.474 2.087 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)Nc1ncc(C)s1)C(C)C ZINC000123360215 543756803 /nfs/dbraw/zinc/75/68/03/543756803.db2.gz YLAVSXIQMWPGSU-CQSZACIVSA-N 1 0 350.488 2.205 20 30 FEEDRO N#Cc1ccc2ncc(C[NH2+]Cc3cccc(CN4CCOCC4)c3)n2c1 ZINC000123355533 543757113 /nfs/dbraw/zinc/75/71/13/543757113.db2.gz QYOHHBRHGWGWQH-UHFFFAOYSA-N 1 0 361.449 2.328 20 30 FEEDRO CC[NH+](CC)C[C@H]1CCN(S(=O)(=O)c2c(F)cc(C#N)cc2F)C1 ZINC000125763347 543900253 /nfs/dbraw/zinc/90/02/53/543900253.db2.gz NJVSPLRGFOSDKN-GFCCVEGCSA-N 1 0 357.426 2.189 20 30 FEEDRO Cc1ccc(C(=O)N2CCN(C[C@@H](O)c3ccc(C#N)cc3)CC2)cc1F ZINC000127158473 543976339 /nfs/dbraw/zinc/97/63/39/543976339.db2.gz AXKPQTHEEPEOCB-HXUWFJFHSA-N 1 0 367.424 2.497 20 30 FEEDRO C=CCOc1cc(OC)ccc1C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000127959867 544023836 /nfs/dbraw/zinc/02/38/36/544023836.db2.gz QGXAJPDADMCOMH-MRXNPFEDSA-N 1 0 374.481 2.491 20 30 FEEDRO Cc1nc(C)c(CNC(NCC(=O)N(C)C)=[NH+]C2CCCCC2)s1 ZINC000127598586 544002834 /nfs/dbraw/zinc/00/28/34/544002834.db2.gz VAKBGAUQTOJBQA-UHFFFAOYSA-N 1 0 351.520 2.216 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N(CCCC(=O)OC)Cc2ccccc2)CC1 ZINC000128855869 544076605 /nfs/dbraw/zinc/07/66/05/544076605.db2.gz MXICJMUYIKAMSG-UHFFFAOYSA-N 1 0 356.466 2.314 20 30 FEEDRO C[NH+]=C(NC[C@H]1CCOc2ccccc21)N[C@H]1CCCn2nc(C)nc21 ZINC000129334894 544106295 /nfs/dbraw/zinc/10/62/95/544106295.db2.gz IEAAEULJBCJUQT-ZBFHGGJFSA-N 1 0 354.458 2.153 20 30 FEEDRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000133920005 544287782 /nfs/dbraw/zinc/28/77/82/544287782.db2.gz PUPZNEPVBKLYOC-OAHLLOKOSA-N 1 0 356.470 2.226 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1ccc2[nH]c(=O)n(C)c2c1)C(C)C ZINC000133047324 544254077 /nfs/dbraw/zinc/25/40/77/544254077.db2.gz FOTFZSLAOLALMU-GOSISDBHSA-N 1 0 356.470 2.295 20 30 FEEDRO COc1ccc(C[N@H+](C)[C@H](C)c2cccc(S(N)(=O)=O)c2)cc1C#N ZINC000135181579 544337393 /nfs/dbraw/zinc/33/73/93/544337393.db2.gz ACLJUFQTIIYVDX-CYBMUJFWSA-N 1 0 359.451 2.407 20 30 FEEDRO CCC[C@H](C)[C@@H]1CCC[N@@H+]1CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 ZINC000135344987 544342997 /nfs/dbraw/zinc/34/29/97/544342997.db2.gz QFVMOHCLSWAJJF-YJBOKZPZSA-N 1 0 373.501 2.404 20 30 FEEDRO COc1ccc(CC[NH2+]C[C@H](O)COc2ccc(C#N)cc2)cc1OC ZINC000143538462 544422170 /nfs/dbraw/zinc/42/21/70/544422170.db2.gz VAQUOBCVKMXSRH-KRWDZBQOSA-N 1 0 356.422 2.147 20 30 FEEDRO C[NH+]1CCN([C@@H]2CCCCN(C(=O)c3c(F)cc(C#N)cc3F)C2)CC1 ZINC000150982620 544492849 /nfs/dbraw/zinc/49/28/49/544492849.db2.gz PRBVYSNPAFKWAL-OAHLLOKOSA-N 1 0 362.424 2.079 20 30 FEEDRO CC[C@H](C(=O)NCCCc1nn(-c2ccc(C)cc2)c(N)c1C#N)[NH+](C)C ZINC000151094087 544503699 /nfs/dbraw/zinc/50/36/99/544503699.db2.gz SZSIFBDQVHZPLF-GOSISDBHSA-N 1 0 368.485 2.024 20 30 FEEDRO CC(C)CN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(C#N)cc1F ZINC000151096455 544504912 /nfs/dbraw/zinc/50/49/12/544504912.db2.gz RVEQKPBOCUCVIY-UHFFFAOYSA-N 1 0 353.463 2.438 20 30 FEEDRO C[C@H]1C[C@H](CNS(=O)(=O)c2ccc(C#N)nc2)C[N@@H+]1Cc1ccccc1 ZINC000152001497 544605293 /nfs/dbraw/zinc/60/52/93/544605293.db2.gz PJPRNBVXXODUSS-DOTOQJQBSA-N 1 0 370.478 2.142 20 30 FEEDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)CCCC(=O)Nc2ccccc2C#N)C1 ZINC000152068988 544610539 /nfs/dbraw/zinc/61/05/39/544610539.db2.gz FFEIPAHLSBHBGO-INIZCTEOSA-N 1 0 356.470 2.467 20 30 FEEDRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)c2c(F)cc(C#N)cc2F)CC1 ZINC000152869898 544705427 /nfs/dbraw/zinc/70/54/27/544705427.db2.gz KYOFAHJVGMECDP-OAHLLOKOSA-N 1 0 362.424 2.079 20 30 FEEDRO CCOC(=O)N1CCC(NC(=[NH2+])NCc2nc(C3CC3)cs2)CC1 ZINC000153213850 544747867 /nfs/dbraw/zinc/74/78/67/544747867.db2.gz CYHZEDYFYVFVPE-UHFFFAOYSA-N 1 0 351.476 2.046 20 30 FEEDRO C[C@@H](C(=O)N1c2ccccc2C[C@@H]1C)[N@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000153267783 544753666 /nfs/dbraw/zinc/75/36/66/544753666.db2.gz WNQRDVAWHWAXRU-KBPBESRZSA-N 1 0 366.469 2.094 20 30 FEEDRO Cc1ccn(C)c(=O)c1NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000155138977 544994958 /nfs/dbraw/zinc/99/49/58/544994958.db2.gz VBPZCZIDRAMGPS-UHFFFAOYSA-N 1 0 367.453 2.161 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCCC[C@H]2SCC)CC1 ZINC000553395410 674257538 /nfs/dbraw/zinc/25/75/38/674257538.db2.gz HQGLKNLFHXJPIC-IAGOWNOFSA-N 1 0 367.559 2.324 20 30 FEEDRO Cc1ccc(C#N)cc1NC(=O)C(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000179401289 327641036 /nfs/dbraw/zinc/64/10/36/327641036.db2.gz WCOUMAJXNXPNCI-UHFFFAOYSA-N 1 0 356.470 2.386 20 30 FEEDRO C[C@@H](c1cccc(C#N)c1)[NH+]1CCC(CC(=O)N2CCN(C)CC2)CC1 ZINC000187678904 328039383 /nfs/dbraw/zinc/03/93/83/328039383.db2.gz NXOYRQOVKIHPEC-KRWDZBQOSA-N 1 0 354.498 2.495 20 30 FEEDRO N#Cc1cccc(NC(=O)CC[NH+]2CCN(c3cc(C4CC4)[nH]n3)CC2)c1 ZINC000189679439 328161872 /nfs/dbraw/zinc/16/18/72/328161872.db2.gz BJZIBMFWKUNBHG-UHFFFAOYSA-N 1 0 364.453 2.310 20 30 FEEDRO C[C@H]1CN(Cc2cn(C)nc2-c2ccc(C#N)cc2)CC[N@@H+]1CC(C)(C)O ZINC000189907124 328175164 /nfs/dbraw/zinc/17/51/64/328175164.db2.gz FQORUBUQLSXFCH-INIZCTEOSA-N 1 0 367.497 2.236 20 30 FEEDRO C[C@H]([NH2+]Cc1cc(C#N)n(C)c1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000190787067 328232614 /nfs/dbraw/zinc/23/26/14/328232614.db2.gz BJOOHPRWCMEGDX-AWEZNQCLSA-N 1 0 352.438 2.405 20 30 FEEDRO CC(C)C[C@]1(CO)CCC[N@@H+]1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000191667836 328276621 /nfs/dbraw/zinc/27/66/21/328276621.db2.gz QOXZOPLQNBILIT-SFHVURJKSA-N 1 0 350.484 2.205 20 30 FEEDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)C1 ZINC000192968843 328349436 /nfs/dbraw/zinc/34/94/36/328349436.db2.gz LYVTTWDUFXFOJQ-HNNXBMFYSA-N 1 0 373.501 2.290 20 30 FEEDRO COc1cc(CN2CCN(c3ccc(C#N)cn3)CC2)cc2c1OCCO2 ZINC000193854116 328399096 /nfs/dbraw/zinc/39/90/96/328399096.db2.gz FRVYYCWJLAVKQU-UHFFFAOYSA-N 1 0 366.421 2.055 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N[C@H](C[NH3+])C2CCCC2)cc1C(F)(F)F ZINC000194776390 328439872 /nfs/dbraw/zinc/43/98/72/328439872.db2.gz FQSDJPDXHBSGRI-CQSZACIVSA-N 1 0 361.389 2.373 20 30 FEEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000054878641 324767359 /nfs/dbraw/zinc/76/73/59/324767359.db2.gz GHVARXJEKBRGNZ-HNNXBMFYSA-N 1 0 372.469 2.132 20 30 FEEDRO C[NH+](C)CCN(Cc1ccccc1)C(=O)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000077539857 324995041 /nfs/dbraw/zinc/99/50/41/324995041.db2.gz QKEZVMSYPYXZMI-UHFFFAOYSA-N 1 0 368.412 2.226 20 30 FEEDRO CC[N@H+](C)Cc1cccc(CNC(=O)C(=O)Nc2cccc(C#N)c2)c1 ZINC000077821023 325019090 /nfs/dbraw/zinc/01/90/90/325019090.db2.gz VCYBTRVIPWHEIE-UHFFFAOYSA-N 1 0 350.422 2.265 20 30 FEEDRO COC(=O)[C@H](C)[C@H]([NH2+]C[C@H](O)COc1ccc(C#N)cc1)c1ccccc1 ZINC000079923239 325110669 /nfs/dbraw/zinc/11/06/69/325110669.db2.gz XQAQYLZROCISLW-BPAFIMBUSA-N 1 0 368.433 2.438 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H]2SCCc3sccc32)c1C#N ZINC000089674126 325326162 /nfs/dbraw/zinc/32/61/62/325326162.db2.gz LZHMZZGGBBOSIN-CQSZACIVSA-N 1 0 361.496 2.464 20 30 FEEDRO CC(C)c1ccccc1OC[C@H](O)C[N@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000089943777 325344609 /nfs/dbraw/zinc/34/46/09/325344609.db2.gz GWFKRKDBPKTPOK-OAHLLOKOSA-N 1 0 371.485 2.291 20 30 FEEDRO N#Cc1cccc(NC(=O)CN2CC[NH+](CCc3cccs3)CC2)c1 ZINC000108972786 325654726 /nfs/dbraw/zinc/65/47/26/325654726.db2.gz CXJLCZKTHMDADQ-UHFFFAOYSA-N 1 0 354.479 2.419 20 30 FEEDRO Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NC[C@@H](CC(C)C)[NH+](C)C ZINC000114140324 325874434 /nfs/dbraw/zinc/87/44/34/325874434.db2.gz WLIFNLRWYKNZRF-QGZVFWFLSA-N 1 0 370.501 2.243 20 30 FEEDRO CC[NH+]1CCN([C@@H]2CCN(c3nc(C(F)(F)F)ccc3C#N)C2)CC1 ZINC000115518013 325963490 /nfs/dbraw/zinc/96/34/90/325963490.db2.gz WUUUQFSFIRCFIN-CQSZACIVSA-N 1 0 353.392 2.188 20 30 FEEDRO CC1CCC([NH+]2CCN(C(=O)C(=O)Nc3ccc(F)c(C#N)c3)CC2)CC1 ZINC000115890762 325985932 /nfs/dbraw/zinc/98/59/32/325985932.db2.gz IEBIBRXABRDFFH-UHFFFAOYSA-N 1 0 372.444 2.359 20 30 FEEDRO CCCC[N@H+](C)CC1CCN(C(=O)CNC(=O)c2ccc(C#N)cc2)CC1 ZINC000117985416 326076119 /nfs/dbraw/zinc/07/61/19/326076119.db2.gz FVFQTYQMAWJODM-UHFFFAOYSA-N 1 0 370.497 2.259 20 30 FEEDRO CC(C)Oc1ccc(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)cc1C#N ZINC000119441450 326162733 /nfs/dbraw/zinc/16/27/33/326162733.db2.gz LFGVRBJVFQDEAE-PBHICJAKSA-N 1 0 372.469 2.083 20 30 FEEDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000119738077 326193431 /nfs/dbraw/zinc/19/34/31/326193431.db2.gz BQLFPWGLVRFIOC-ZDUSSCGKSA-N 1 0 362.861 2.244 20 30 FEEDRO CCCC[NH+]1CCC(NS(=O)(=O)Cc2cc(C#N)ccc2F)CC1 ZINC000120810040 326289985 /nfs/dbraw/zinc/28/99/85/326289985.db2.gz CBGDQOZULKPCMJ-UHFFFAOYSA-N 1 0 353.463 2.381 20 30 FEEDRO C[N@H+](CCCc1[nH]nc(N)c1C#N)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000121377094 326333591 /nfs/dbraw/zinc/33/35/91/326333591.db2.gz ILGJIYLCFIXKDX-MRXNPFEDSA-N 1 0 372.860 2.187 20 30 FEEDRO C[NH+]1CCN(c2ccc(NC(=O)c3c(F)cc(C#N)cc3F)nc2)CC1 ZINC000121554712 326347800 /nfs/dbraw/zinc/34/78/00/326347800.db2.gz IOQSMGLOUSPUSX-UHFFFAOYSA-N 1 0 357.364 2.236 20 30 FEEDRO N#Cc1csc(CN2CCN(Cc3cc(=O)n4ccsc4n3)CC2)c1 ZINC000121828217 326370653 /nfs/dbraw/zinc/37/06/53/326370653.db2.gz QAGZDNTUBPMWLS-UHFFFAOYSA-N 1 0 371.491 2.007 20 30 FEEDRO Cc1cccc(NC(=O)C(=O)N2CC[NH+](C3CCCCC3)CC2)c1C#N ZINC000128111224 326518047 /nfs/dbraw/zinc/51/80/47/326518047.db2.gz BTEYGUYEUKHCJZ-UHFFFAOYSA-N 1 0 354.454 2.282 20 30 FEEDRO C[C@H]1CCC[C@@](CNC(=O)C(=O)Nc2ccc(C#N)cc2F)([NH+](C)C)C1 ZINC000136022972 326649247 /nfs/dbraw/zinc/64/92/47/326649247.db2.gz WUCYODDCGWBQRS-ORAYPTAESA-N 1 0 360.433 2.263 20 30 FEEDRO C[C@H](Oc1ccc(C#N)cc1)C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000160670730 326973359 /nfs/dbraw/zinc/97/33/59/326973359.db2.gz HRTGLGRDTUZRSA-YSSFQJQWSA-N 1 0 371.481 2.210 20 30 FEEDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NS(=O)(=O)c1ccc(C#N)cc1 ZINC000162367612 327023909 /nfs/dbraw/zinc/02/39/09/327023909.db2.gz UWSWFQFMVLZNTM-BEFAXECRSA-N 1 0 355.463 2.357 20 30 FEEDRO N#Cc1ccc(F)c(CS(=O)(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000163180255 327045008 /nfs/dbraw/zinc/04/50/08/327045008.db2.gz PSFNFXUETDXXAR-KRWDZBQOSA-N 1 0 365.474 2.477 20 30 FEEDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)NCc2ccc(C#N)cc2)[C@H](C)C1 ZINC000172079697 327179856 /nfs/dbraw/zinc/17/98/56/327179856.db2.gz WWRDHAMQQFVXAS-VQIMIIECSA-N 1 0 358.486 2.494 20 30 FEEDRO COCCC[N@H+](C)CCNC(=O)N1CCC(Oc2cccc(C#N)c2)CC1 ZINC000173586878 327269138 /nfs/dbraw/zinc/26/91/38/327269138.db2.gz CCVKKICJOUMSKB-UHFFFAOYSA-N 1 0 374.485 2.079 20 30 FEEDRO CC[NH+](CC)C[C@H]1CCN(C(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)C1 ZINC000173612879 327271288 /nfs/dbraw/zinc/27/12/88/327271288.db2.gz QUMDAPDODZXAOG-CYBMUJFWSA-N 1 0 362.861 2.340 20 30 FEEDRO C[N@H+]1[C@@H]2CC[C@H]1CCN(S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N)C2 ZINC000173817376 327286333 /nfs/dbraw/zinc/28/63/33/327286333.db2.gz IBZBQDXCMUKQID-UONOGXRCSA-N 1 0 373.400 2.434 20 30 FEEDRO COc1ccccc1CC(=O)N1CCC([NH2+]Cc2ccc(C#N)o2)CC1 ZINC000174326242 327319810 /nfs/dbraw/zinc/31/98/10/327319810.db2.gz HJYKXVNYBNWRLV-UHFFFAOYSA-N 1 0 353.422 2.483 20 30 FEEDRO N#Cc1cc([N+](=O)[O-])cnc1NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000264354061 329013627 /nfs/dbraw/zinc/01/36/27/329013627.db2.gz ZZCPOIVRHUAFOR-UHFFFAOYSA-N 1 0 367.409 2.430 20 30 FEEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000264599684 329039486 /nfs/dbraw/zinc/03/94/86/329039486.db2.gz XMIUNJYQWDYODU-INIZCTEOSA-N 1 0 356.470 2.295 20 30 FEEDRO Cc1ccc(C#N)cc1NC(=O)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000267334410 329316154 /nfs/dbraw/zinc/31/61/54/329316154.db2.gz PBIZQQWIWAQZCC-UHFFFAOYSA-N 1 0 354.454 2.328 20 30 FEEDRO COc1ccc(C#N)cc1NC(=O)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000267374023 329320471 /nfs/dbraw/zinc/32/04/71/329320471.db2.gz UGKFLANLULVUEX-UHFFFAOYSA-N 1 0 370.453 2.029 20 30 FEEDRO N#Cc1cnc2ccccc2c1N1CC[NH+](CCC2OCCCO2)CC1 ZINC000267898603 329366651 /nfs/dbraw/zinc/36/66/51/329366651.db2.gz AWCMBKZFKNZJNG-UHFFFAOYSA-N 1 0 352.438 2.382 20 30 FEEDRO C[C@@H]([NH3+])[C@H]1CCCCN1S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000269669508 329538898 /nfs/dbraw/zinc/53/88/98/329538898.db2.gz WTJJMOFCAHSEMN-QMTHXVAHSA-N 1 0 372.288 2.211 20 30 FEEDRO CS[C@@H]1CN([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C[C@H]1[NH+](C)C ZINC000270659673 329619580 /nfs/dbraw/zinc/61/95/80/329619580.db2.gz OJQXQXVMESMHTE-NILFDRSVSA-N 1 0 350.488 2.073 20 30 FEEDRO Cc1nc(C#N)c(N2CCC(C(=O)N(C)[C@@H]3CC[N@H+](C)[C@@H](C)C3)CC2)o1 ZINC000276415348 330149739 /nfs/dbraw/zinc/14/97/39/330149739.db2.gz JBHRHMMEJDIWDQ-XJKSGUPXSA-N 1 0 359.474 2.012 20 30 FEEDRO Cc1nc(C#N)c(N2CCC(C(=O)N3CC[C@@H]4[C@H](CCC[N@H+]4C)C3)CC2)o1 ZINC000276470129 330155408 /nfs/dbraw/zinc/15/54/08/330155408.db2.gz QFAJOBCYHKUTQY-SJLPKXTDSA-N 1 0 371.485 2.014 20 30 FEEDRO COc1cc(C[NH2+]CC[C@@](O)(c2nccn2C)C(F)(F)F)ccc1C#N ZINC000281828558 330177756 /nfs/dbraw/zinc/17/77/56/330177756.db2.gz XPAIMSJRQHPIFB-MRXNPFEDSA-N 1 0 368.359 2.230 20 30 FEEDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@H]3CCN(c4ccc(C#N)cc4F)C3)CC[C@H]21 ZINC000286427321 330184230 /nfs/dbraw/zinc/18/42/30/330184230.db2.gz BLXVYNDVRREOCB-ZIFCJYIRSA-N 1 0 370.472 2.466 20 30 FEEDRO CC[NH+]1CCC(N(CCS(=O)(=O)c2ccc(C#N)cc2)C2CC2)CC1 ZINC000367175905 330226171 /nfs/dbraw/zinc/22/61/71/330226171.db2.gz CUOSVHNBVQGUSB-UHFFFAOYSA-N 1 0 361.511 2.281 20 30 FEEDRO Cc1ccc(C#N)cc1NC(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000367184296 330227340 /nfs/dbraw/zinc/22/73/40/330227340.db2.gz JLYGPHPQDDSXIB-LPHOPBHVSA-N 1 0 355.486 2.356 20 30 FEEDRO N#Cc1ccc(C[NH2+]C[C@H]2CCN(S(=O)(=O)c3cccs3)C2)s1 ZINC000367204919 330229639 /nfs/dbraw/zinc/22/96/39/330229639.db2.gz FIZJSBMWDVOAOS-GFCCVEGCSA-N 1 0 367.521 2.482 20 30 FEEDRO COc1cc(C#N)ccc1OCC[N@@H+]1CCC[C@H]1C[C@@H](O)c1cnn(C)c1 ZINC000371456146 330243906 /nfs/dbraw/zinc/24/39/06/330243906.db2.gz FSMFZMWSQUKCNF-ZWKOTPCHSA-N 1 0 370.453 2.267 20 30 FEEDRO N#Cc1ccc(C[NH2+]C[C@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)o1 ZINC000433186237 330275628 /nfs/dbraw/zinc/27/56/28/330275628.db2.gz ILRMWXOWKNNPFM-INIZCTEOSA-N 1 0 371.412 2.098 20 30 FEEDRO CN(C)[C@@H](C[NH2+]CCS(=O)(=O)c1cccc(C#N)c1)c1ccsc1 ZINC000554797870 674336867 /nfs/dbraw/zinc/33/68/67/674336867.db2.gz CWNQKOXJVZFITR-KRWDZBQOSA-N 1 0 363.508 2.286 20 30 FEEDRO Cc1csc(NC(=O)CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000026912966 519145036 /nfs/dbraw/zinc/14/50/36/519145036.db2.gz YXNZFLXSCZCIHX-UHFFFAOYSA-N 1 0 369.494 2.470 20 30 FEEDRO C[N@H+](CCCc1[nH]nc(N)c1C#N)CCOc1ccc(Cl)c(F)c1 ZINC000555445952 674361900 /nfs/dbraw/zinc/36/19/00/674361900.db2.gz SCQAPDMPJMZESD-UHFFFAOYSA-N 1 0 351.813 2.599 20 30 FEEDRO C=CCN1C(=O)c2ccc(C(=O)N[C@@H](C[NH3+])C3CCCCC3)cc2C1=O ZINC000155607486 545548270 /nfs/dbraw/zinc/54/82/70/545548270.db2.gz PPQNYOBGEWVSEH-KRWDZBQOSA-N 1 0 355.438 2.106 20 30 FEEDRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000155928115 545584382 /nfs/dbraw/zinc/58/43/82/545584382.db2.gz NRJRRZONLOXIJR-UEXGIBASSA-N 1 0 356.514 2.082 20 30 FEEDRO C[NH+](C)C1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)CC1 ZINC000156448539 545627981 /nfs/dbraw/zinc/62/79/81/545627981.db2.gz AZCHMVSSIWJXDI-UHFFFAOYSA-N 1 0 361.389 2.292 20 30 FEEDRO N#Cc1cccc(OCCC[N@@H+](CC(=O)N2CCCC2)C[C@@H]2CCCO2)c1 ZINC000156590708 545638291 /nfs/dbraw/zinc/63/82/91/545638291.db2.gz HBTITVTTYZKSME-FQEVSTJZSA-N 1 0 371.481 2.431 20 30 FEEDRO C[C@H]1CCC[N@@H+](C(C)(C)CNS(=O)(=O)c2ccc(F)cc2C#N)C1 ZINC000156711814 545650529 /nfs/dbraw/zinc/65/05/29/545650529.db2.gz PJCFKJAZSHFHMA-ZDUSSCGKSA-N 1 0 353.463 2.486 20 30 FEEDRO C[C@@H](O)C[N@H+](CCS(=O)(=O)c1cccc(C#N)c1)C1CCCCC1 ZINC000156725697 545652820 /nfs/dbraw/zinc/65/28/20/545652820.db2.gz HLSAGCCPGXWKGN-OAHLLOKOSA-N 1 0 350.484 2.347 20 30 FEEDRO CCOCCO[C@H]1CCN(CC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000157805583 545786629 /nfs/dbraw/zinc/78/66/29/545786629.db2.gz ACLAREPVSCEUMP-HNNXBMFYSA-N 1 0 351.834 2.278 20 30 FEEDRO CC1CC[NH+](CCCNS(=O)(=O)Cc2ccc(C#N)cc2F)CC1 ZINC000478179160 561161488 /nfs/dbraw/zinc/16/14/88/561161488.db2.gz QAJLSLCIDAWGFY-UHFFFAOYSA-N 1 0 353.463 2.239 20 30 FEEDRO COc1c[nH+]ccc1N1CCN(C(=O)[C@@H](C)Oc2ccccc2C#N)CC1 ZINC000478478216 561167984 /nfs/dbraw/zinc/16/79/84/561167984.db2.gz DNEJIHOWDKPBHE-OAHLLOKOSA-N 1 0 366.421 2.078 20 30 FEEDRO CC(C)(CNS(=O)(=O)Cc1cc(C#N)ccc1F)[NH+]1CCCCC1 ZINC000160535391 546049828 /nfs/dbraw/zinc/04/98/28/546049828.db2.gz WJRTXERJRUHBSQ-UHFFFAOYSA-N 1 0 353.463 2.381 20 30 FEEDRO N#CC1(NC(=O)C[C@@H]2CN(Cc3ccccc3)CCO2)CCSCC1 ZINC000162307297 546138855 /nfs/dbraw/zinc/13/88/55/546138855.db2.gz ZISPGCIEZQLNKG-QGZVFWFLSA-N 1 0 359.495 2.183 20 30 FEEDRO N#CC1(CS(=O)(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)CC1 ZINC000165114509 546151776 /nfs/dbraw/zinc/15/17/76/546151776.db2.gz LHLUENQNXOQESL-UHFFFAOYSA-N 1 0 361.511 2.260 20 30 FEEDRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)C1NS(=O)(=O)CC1(C#N)CC1 ZINC000166038944 546154366 /nfs/dbraw/zinc/15/43/66/546154366.db2.gz IYKHRSCMNBZQKQ-BYICEURKSA-N 1 0 361.511 2.366 20 30 FEEDRO COc1ccc(-n2ccc(CNC(=[NH2+])NCc3ccccc3OC)n2)cc1 ZINC000170908532 546182061 /nfs/dbraw/zinc/18/20/61/546182061.db2.gz CZFNELSYDVAXBK-UHFFFAOYSA-N 1 0 365.437 2.494 20 30 FEEDRO N#CCCN(CCC#N)C(=O)C[NH2+]C1(c2ccc(F)cc2)CCOCC1 ZINC000170971350 546184104 /nfs/dbraw/zinc/18/41/04/546184104.db2.gz SWDACGGRPYCOOP-UHFFFAOYSA-N 1 0 358.417 2.077 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CC[NH+](CC(C)(C)O)CC1 ZINC000171149841 546192732 /nfs/dbraw/zinc/19/27/32/546192732.db2.gz WBYIVSACRWPJKQ-MRXNPFEDSA-N 1 0 365.543 2.040 20 30 FEEDRO CCOCCC[NH+]=C(NCc1c[nH]nc1C)NCc1ccc(OC)cc1 ZINC000171145622 546193195 /nfs/dbraw/zinc/19/31/95/546193195.db2.gz WELFBQMJQVITHW-UHFFFAOYSA-N 1 0 359.474 2.389 20 30 FEEDRO C=CCSCCNC(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000171667689 546218789 /nfs/dbraw/zinc/21/87/89/546218789.db2.gz SZFOOJCPXJJCQX-IAGOWNOFSA-N 1 0 354.564 2.106 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)[C@@H](NC(=O)c2ccc(F)cc2)C(C)C)CC1 ZINC000171725908 546222263 /nfs/dbraw/zinc/22/22/63/546222263.db2.gz ILRDXEANOLYTIM-SFHVURJKSA-N 1 0 361.461 2.347 20 30 FEEDRO CC[NH+]1CCN(Cc2ccc(CNC(=O)NCCCCC#N)cc2)CC1 ZINC000171739820 546223195 /nfs/dbraw/zinc/22/31/95/546223195.db2.gz ZTHVUNUWTQQWBT-UHFFFAOYSA-N 1 0 357.502 2.317 20 30 FEEDRO C=CCOc1ccc(CN2CCN(CC[NH+]3CCCC3)CC2)cc1OC ZINC000171919191 546230772 /nfs/dbraw/zinc/23/07/72/546230772.db2.gz XJSGELXNKFDBCU-UHFFFAOYSA-N 1 0 359.514 2.473 20 30 FEEDRO N#CCOc1ccc(CC(=O)NC2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000171962801 546231325 /nfs/dbraw/zinc/23/13/25/546231325.db2.gz SNDNANONVWPDNN-UHFFFAOYSA-N 1 0 364.449 2.307 20 30 FEEDRO Cc1cc(C)cc(N(CCC#N)C(=O)CN2CCC[C@@H](OCCO)C2)c1 ZINC000172296423 546244453 /nfs/dbraw/zinc/24/44/53/546244453.db2.gz PPLJHAMMCZFXLE-LJQANCHMSA-N 1 0 359.470 2.023 20 30 FEEDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)C1 ZINC000173728547 546285806 /nfs/dbraw/zinc/28/58/06/546285806.db2.gz LIXDBZNHXIHDOM-HNNXBMFYSA-N 1 0 356.470 2.226 20 30 FEEDRO C[NH+](C)CCCNC(=O)CC1S/C(=N/c2ccccc2Cl)NC1=O ZINC000174892466 546304654 /nfs/dbraw/zinc/30/46/54/546304654.db2.gz BQAQCPYVKVRAAI-CYBMUJFWSA-N 1 0 368.890 2.017 20 30 FEEDRO C=CCN1C(=O)c2ccc(C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)cc2C1=O ZINC000479762341 561196512 /nfs/dbraw/zinc/19/65/12/561196512.db2.gz IMOSCHPMMHMYLF-ZDUSSCGKSA-N 1 0 357.454 2.175 20 30 FEEDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(=O)Nc2ccc(F)cc2C#N)C1 ZINC000175948783 546377898 /nfs/dbraw/zinc/37/78/98/546377898.db2.gz KNJCISAEZHIPBJ-OKILXGFUSA-N 1 0 360.433 2.120 20 30 FEEDRO Cn1cc(C[NH2+]C2CCN(C(=O)C3CC3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000480076979 561202605 /nfs/dbraw/zinc/20/26/05/561202605.db2.gz YJCWRUKNUOCMTB-UHFFFAOYSA-N 1 0 363.465 2.449 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)NCc2ccc(C)cc2OCCOC)CC1 ZINC000176453476 546449255 /nfs/dbraw/zinc/44/92/55/546449255.db2.gz GTLGVNOAIWSLPO-UHFFFAOYSA-N 1 0 361.486 2.470 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1nnc(C(F)(F)F)s1 ZINC000176545447 546459537 /nfs/dbraw/zinc/45/95/37/546459537.db2.gz OUKGPDJYJRTDNE-UHFFFAOYSA-N 1 0 350.370 2.256 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)cc1C(F)(F)F ZINC000177628866 546656197 /nfs/dbraw/zinc/65/61/97/546656197.db2.gz XVLAFCLERAADMZ-NSHDSACASA-N 1 0 373.400 2.340 20 30 FEEDRO C=CCN(CC=C)C(=O)[C@@H](C)O/[NH+]=C/c1ccc(N2CCOCC2)cc1 ZINC000178123707 546742955 /nfs/dbraw/zinc/74/29/55/546742955.db2.gz MKUSABUQZRGUCX-GFXBCDTMSA-N 1 0 357.454 2.463 20 30 FEEDRO C=CC[C@@H](CO)C[NH2+][C@@H](CC)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481678195 561238503 /nfs/dbraw/zinc/23/85/03/561238503.db2.gz PHERRGJVFIZVTQ-DOMZBBRYSA-N 1 0 360.907 2.473 20 30 FEEDRO N#CCOc1cccc(CC(=O)NC2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000179386866 546944634 /nfs/dbraw/zinc/94/46/34/546944634.db2.gz HRWJSPMAHYHSSZ-UHFFFAOYSA-N 1 0 364.449 2.307 20 30 FEEDRO N#Cc1ccc(N2CC[NH+](Cc3ccccc3N3CCOCC3)CC2)nc1 ZINC000179988299 547036887 /nfs/dbraw/zinc/03/68/87/547036887.db2.gz RVTXSXWTQUMMJM-UHFFFAOYSA-N 1 0 363.465 2.112 20 30 FEEDRO CC[C@H]1Oc2cc([C@@H](C)[NH2+]CC(=O)N(CC)C[C@@H](C)C#N)ccc2NC1=O ZINC000180013187 547039800 /nfs/dbraw/zinc/03/98/00/547039800.db2.gz CBOASRSRQCWMHK-JJRVBVJISA-N 1 0 372.469 2.455 20 30 FEEDRO CC(C)[NH2+]C1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2OC(C)C)CC1 ZINC000180353463 547090597 /nfs/dbraw/zinc/09/05/97/547090597.db2.gz LTJJLLLHWIJPDT-UHFFFAOYSA-N 1 0 372.469 2.273 20 30 FEEDRO CCN1CC[NH+](CCCCNC(=O)c2ccc(C3(C#N)CC3)cc2)CC1 ZINC000180394047 547099398 /nfs/dbraw/zinc/09/93/98/547099398.db2.gz FPKZKTAAEMUXBX-UHFFFAOYSA-N 1 0 354.498 2.389 20 30 FEEDRO CN1CC[NH+]([C@H]2CCCCN(C(=O)c3ccc(C4(C#N)CC4)cc3)C2)CC1 ZINC000180478105 547114959 /nfs/dbraw/zinc/11/49/59/547114959.db2.gz VBHBXPMSENJDQI-FQEVSTJZSA-N 1 0 366.509 2.484 20 30 FEEDRO CN1CC[NH+]([C@@H]2CCCCN(C(=O)c3ccc(C4(C#N)CC4)cc3)C2)CC1 ZINC000180478088 547115368 /nfs/dbraw/zinc/11/53/68/547115368.db2.gz VBHBXPMSENJDQI-HXUWFJFHSA-N 1 0 366.509 2.484 20 30 FEEDRO C=C(C)CN(C)C(=O)C(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000180674630 547156576 /nfs/dbraw/zinc/15/65/76/547156576.db2.gz FLNXHDWQGITLFF-UHFFFAOYSA-N 1 0 370.497 2.192 20 30 FEEDRO CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000181272455 547283247 /nfs/dbraw/zinc/28/32/47/547283247.db2.gz ZYMHSQNCAWYDJP-LIRRHRJNSA-N 1 0 358.442 2.348 20 30 FEEDRO C[C@H]([NH2+]CC(=O)N[C@](C)(C#N)C1CC1)c1cccc(N2CCOC2=O)c1 ZINC000181301708 547289299 /nfs/dbraw/zinc/28/92/99/547289299.db2.gz PVLBHVBITXCSCN-ORAYPTAESA-N 1 0 356.426 2.102 20 30 FEEDRO C[N@@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)C[C@@H]1CCCC[C@@H]1O ZINC000181442409 547315949 /nfs/dbraw/zinc/31/59/49/547315949.db2.gz DUWXASXDPMDEKR-YJBOKZPZSA-N 1 0 367.453 2.165 20 30 FEEDRO CNC(=O)C[C@H]([NH2+]CC(=O)N(C)C1(C#N)CCCCC1)c1ccccc1 ZINC000483401862 561276040 /nfs/dbraw/zinc/27/60/40/561276040.db2.gz FFQHDKSEFCITEN-KRWDZBQOSA-N 1 0 356.470 2.138 20 30 FEEDRO C[C@H]([NH2+]C[C@@H](O)COc1ccc(C#N)cc1)c1ccc(-n2ccnn2)cc1 ZINC000182043237 547427532 /nfs/dbraw/zinc/42/75/32/547427532.db2.gz GCYGEUOGVWZWFZ-HNAYVOBHSA-N 1 0 363.421 2.229 20 30 FEEDRO O=C1[C@H]([N+]23CCN(CC2)CC3)CCCN1Cc1cccc(C(F)(F)F)c1 ZINC000182700084 547537195 /nfs/dbraw/zinc/53/71/95/547537195.db2.gz RCDTVRMCKABNEC-QGZVFWFLSA-N 1 0 368.423 2.342 20 30 FEEDRO CCO[C@@H]1COCC[C@@H]1[NH2+][C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000484650563 561302397 /nfs/dbraw/zinc/30/23/97/561302397.db2.gz MSIZHZYWDLQJOA-FHLIZLRMSA-N 1 0 363.433 2.244 20 30 FEEDRO CC1([C@@H]2CCC[N@@H+]([C@@H]3CCN(c4ccc(C#N)cc4)C3=O)C2)OCCO1 ZINC000183910509 547737580 /nfs/dbraw/zinc/73/75/80/547737580.db2.gz MXAVHLDXSLWOJW-SJLPKXTDSA-N 1 0 355.438 2.139 20 30 FEEDRO C=CCOc1c(Br)cc(C[NH2+][C@]2(CO)CCOC2)cc1OC ZINC000184192986 547784644 /nfs/dbraw/zinc/78/46/44/547784644.db2.gz COQMNVGDZQTOET-INIZCTEOSA-N 1 0 372.259 2.264 20 30 FEEDRO C=CC[N@@H+](CC(=O)NCC(C)(C)N1CCOCC1)CC1CCCCC1 ZINC000485010609 561310359 /nfs/dbraw/zinc/31/03/59/561310359.db2.gz UBPPGHABNVEYII-UHFFFAOYSA-N 1 0 351.535 2.282 20 30 FEEDRO N#Cc1ccc(NC(=O)C(=O)NC2CC([NH+]3CCCCC3)C2)c(Cl)c1 ZINC000485028891 561310709 /nfs/dbraw/zinc/31/07/09/561310709.db2.gz PPGXYESWUUDLAR-UHFFFAOYSA-N 1 0 360.845 2.283 20 30 FEEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH2+][C@H]2CCCC[C@H]2C(N)=O)c1 ZINC000184800820 547880851 /nfs/dbraw/zinc/88/08/51/547880851.db2.gz CTCFGWHAEUYRES-MSOLQXFVSA-N 1 0 356.470 2.184 20 30 FEEDRO C[C@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)[C@@H]1COc2ccccc21 ZINC000185582798 548005521 /nfs/dbraw/zinc/00/55/21/548005521.db2.gz ISDQJRPMEKMTST-KSSFIOAISA-N 1 0 356.447 2.486 20 30 FEEDRO C=CCN(C(=O)CC1CC[NH+](C)CC1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000486211646 561341265 /nfs/dbraw/zinc/34/12/65/561341265.db2.gz FRGIBSPFBGCKLW-MRXNPFEDSA-N 1 0 368.485 2.470 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)Nc2ccc(Cc3nnc4n3CCC4)cc2)CC1 ZINC000190051928 548316681 /nfs/dbraw/zinc/31/66/81/548316681.db2.gz YLIYQAIFWIYPKO-UHFFFAOYSA-N 1 0 363.465 2.099 20 30 FEEDRO C[C@@H](C(=O)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000486560357 561350834 /nfs/dbraw/zinc/35/08/34/561350834.db2.gz NWCDWHKCJFVKEL-VGOFRKELSA-N 1 0 363.461 2.415 20 30 FEEDRO N#Cc1cc(Br)cc(S(=O)(=O)N[C@H](C[NH3+])C2CCCC2)c1 ZINC000194774823 548531209 /nfs/dbraw/zinc/53/12/09/548531209.db2.gz BOPLNIKVWVRTEY-CQSZACIVSA-N 1 0 372.288 2.117 20 30 FEEDRO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)c2ccnc(C#N)c2)cc1 ZINC000194981093 548558354 /nfs/dbraw/zinc/55/83/54/548558354.db2.gz MFYVAEYUNUWCHS-UHFFFAOYSA-N 1 0 365.437 2.277 20 30 FEEDRO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000245385386 548903397 /nfs/dbraw/zinc/90/33/97/548903397.db2.gz CIIRGKNSCHUOQP-UKRRQHHQSA-N 1 0 356.401 2.193 20 30 FEEDRO C[C@@H]1CCC[N@H+](CCNC(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)C1 ZINC000246778668 549210047 /nfs/dbraw/zinc/21/00/47/549210047.db2.gz PWVZQKLQHQLJRN-QUCCMNQESA-N 1 0 369.513 2.138 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CCC[C@H]([S@@](=O)CC)C2)CC1 ZINC000246778053 549210376 /nfs/dbraw/zinc/21/03/76/549210376.db2.gz ZDVGKTDBIKUXOB-KCYKTTMJSA-N 1 0 355.548 2.406 20 30 FEEDRO N#CCc1cccc(C(=O)N[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2CO)c1 ZINC000246850844 549227801 /nfs/dbraw/zinc/22/78/01/549227801.db2.gz UAKHJLJEPZRDOF-SFTDATJTSA-N 1 0 363.461 2.365 20 30 FEEDRO C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc(C#N)c(F)c1)C1CCCCC1 ZINC000489118193 561403735 /nfs/dbraw/zinc/40/37/35/561403735.db2.gz SHVMPDNUXIVCGE-KRWDZBQOSA-N 1 0 353.463 2.486 20 30 FEEDRO Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+](C)[C@H]3CCCC[C@H]3C)CC2)o1 ZINC000248892972 549523134 /nfs/dbraw/zinc/52/31/34/549523134.db2.gz FGGVTZAXEBVCQR-PBHICJAKSA-N 1 0 359.474 2.014 20 30 FEEDRO C=C(C)COc1cccc(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000249172071 549564089 /nfs/dbraw/zinc/56/40/89/549564089.db2.gz LKIDJHDABLENML-CRAIPNDOSA-N 1 0 359.470 2.379 20 30 FEEDRO CN(CCC#N)C(=O)CC[N@@H+]1CCC[C@H](c2nc(C(F)(F)F)cn2C)C1 ZINC000489770960 561418876 /nfs/dbraw/zinc/41/88/76/561418876.db2.gz HIRWNLXQRWTYAK-ZDUSSCGKSA-N 1 0 371.407 2.380 20 30 FEEDRO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](C)[C@H](C)c1ccc(-n2cncn2)cc1 ZINC000249737487 549622625 /nfs/dbraw/zinc/62/26/25/549622625.db2.gz WNPDSMMTTAQWGZ-JKSUJKDBSA-N 1 0 354.458 2.268 20 30 FEEDRO C=C[C@](C)(CCOC)C(=O)NCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000249953599 549636038 /nfs/dbraw/zinc/63/60/38/549636038.db2.gz VLLCJDHLBZZNDL-PZJWPPBQSA-N 1 0 360.498 2.488 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@@H](OCC)[C@@H]2Oc2ccccc2)CC1 ZINC000251433501 549645438 /nfs/dbraw/zinc/64/54/38/549645438.db2.gz BOQAZFAQSKFDCC-VAMGGRTRSA-N 1 0 356.466 2.073 20 30 FEEDRO Cc1cccc(S(=O)(=O)N2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)c1C#N ZINC000261626880 549736445 /nfs/dbraw/zinc/73/64/45/549736445.db2.gz DYLYHEZNZVVOCF-AEFFLSMTSA-N 1 0 355.463 2.230 20 30 FEEDRO [NH2+]=C(NCC1CC(c2ccccc2)C1)N1CCN(c2ncccn2)CC1 ZINC000261736005 549749570 /nfs/dbraw/zinc/74/95/70/549749570.db2.gz YTDLKNFCLJWUEP-UHFFFAOYSA-N 1 0 350.470 2.107 20 30 FEEDRO CC[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N(C)Cc1ccc(Cl)s1 ZINC000262194463 549797169 /nfs/dbraw/zinc/79/71/69/549797169.db2.gz HHWBNUUPXRPMTM-NSHDSACASA-N 1 0 363.936 2.234 20 30 FEEDRO NS(=O)(=O)c1ccc(CNC(=[NH2+])Nc2cccc3c2CCCC3)cc1 ZINC000262443680 549820587 /nfs/dbraw/zinc/82/05/87/549820587.db2.gz IEQCNIKYWXGMLZ-UHFFFAOYSA-N 1 0 358.467 2.140 20 30 FEEDRO Cc1cc(CNC(NC[C@@H]2CCS(=O)(=O)C2)=[NH+]C2CC2)ccc1Cl ZINC000262465683 549822151 /nfs/dbraw/zinc/82/21/51/549822151.db2.gz YERNMDHMNMCTME-AWEZNQCLSA-N 1 0 369.918 2.281 20 30 FEEDRO C[NH+]=C(NCc1cc(-c2ccccc2)no1)N1CCC(C(=O)OC)CC1 ZINC000262594776 549831291 /nfs/dbraw/zinc/83/12/91/549831291.db2.gz WHOJYMZFZYYOHW-UHFFFAOYSA-N 1 0 356.426 2.302 20 30 FEEDRO C[NH+]=C(NCc1cccn1C)NC1CCN(c2ccccc2OC)CC1 ZINC000262773676 549848637 /nfs/dbraw/zinc/84/86/37/549848637.db2.gz INNWJTNSLGMJTR-UHFFFAOYSA-N 1 0 355.486 2.368 20 30 FEEDRO O=S1(=O)CC[C@H](CNC(NCc2ccco2)=[NH+]C2CCCCC2)C1 ZINC000263261601 549890149 /nfs/dbraw/zinc/89/01/49/549890149.db2.gz SQYWFYMOUXXMML-CQSZACIVSA-N 1 0 353.488 2.082 20 30 FEEDRO CN(C)[C@@H](CNC(=[NH2+])N1CCN(c2ccc(F)cc2)CC1)c1ccco1 ZINC000263280326 549892160 /nfs/dbraw/zinc/89/21/60/549892160.db2.gz ZZSYDHRKMQVTLV-KRWDZBQOSA-N 1 0 359.449 2.158 20 30 FEEDRO CCC[N@H+](CC)C[C@H](C)NC(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000490704228 561437514 /nfs/dbraw/zinc/43/75/14/561437514.db2.gz KLCIDHZEKOQLSP-RDJZCZTQSA-N 1 0 359.474 2.236 20 30 FEEDRO COC(=O)[C@H](Cc1c[nH]cn1)NC(=O)c1sc2ccc(C#N)cc2c1C ZINC000490720595 561437710 /nfs/dbraw/zinc/43/77/10/561437710.db2.gz LUBBNAJVIZUQKK-AWEZNQCLSA-N 1 0 368.418 2.319 20 30 FEEDRO COc1ccc(C[NH2+]CCCN2CCC(O)CC2)cc1OCCCC#N ZINC000263887804 549951621 /nfs/dbraw/zinc/95/16/21/549951621.db2.gz KBPKMOKDVLGWQU-UHFFFAOYSA-N 1 0 361.486 2.314 20 30 FEEDRO CC(C)CCNC(=[NH2+])NCc1ccc(C(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000264069079 549974871 /nfs/dbraw/zinc/97/48/71/549974871.db2.gz CPCWVASMKVZZDW-HOTGVXAUSA-N 1 0 360.502 2.386 20 30 FEEDRO COc1ccc(NC(=[NH2+])NCc2ccc(N3CCOCC3)cc2)cc1OC ZINC000264068710 549975089 /nfs/dbraw/zinc/97/50/89/549975089.db2.gz CJDKKRNIQCQYDM-UHFFFAOYSA-N 1 0 370.453 2.467 20 30 FEEDRO [NH2+]=C(NCc1ccc(S(=O)(=O)N2CCCC2)cc1)Nc1ccccc1 ZINC000264071855 549975568 /nfs/dbraw/zinc/97/55/68/549975568.db2.gz DMCKTWKVGFLUQB-UHFFFAOYSA-N 1 0 358.467 2.398 20 30 FEEDRO COc1ccc(CNC(=[NH2+])NCCc2ccc(OC)c(OC)c2)cc1F ZINC000264085439 549977336 /nfs/dbraw/zinc/97/73/36/549977336.db2.gz JGJZYIDSXOGOKV-UHFFFAOYSA-N 1 0 361.417 2.499 20 30 FEEDRO COc1ccc(NC(=[NH2+])NCCCNC(=O)OC(C)(C)C)cc1OC ZINC000264091664 549978033 /nfs/dbraw/zinc/97/80/33/549978033.db2.gz LDECDIGSNNTJAU-UHFFFAOYSA-N 1 0 352.435 2.345 20 30 FEEDRO CCc1cccc(CC)c1NC(=[NH2+])NCc1ccc(S(N)(=O)=O)s1 ZINC000264106072 549979508 /nfs/dbraw/zinc/97/95/08/549979508.db2.gz NUBFGBHYPYMJHV-UHFFFAOYSA-N 1 0 366.512 2.447 20 30 FEEDRO COc1ccc(OC)c(CCNC(=[NH2+])NCc2ccc(OC)c(OC)c2)c1 ZINC000264121224 549981160 /nfs/dbraw/zinc/98/11/60/549981160.db2.gz RBVOUFFIVGVDLQ-UHFFFAOYSA-N 1 0 373.453 2.368 20 30 FEEDRO COc1cc(C[NH2+][C@@H](C)c2ccc(OCC#N)cc2)ccc1OCC(N)=O ZINC000264232483 549992858 /nfs/dbraw/zinc/99/28/58/549992858.db2.gz BWLICFYAJPGQFV-AWEZNQCLSA-N 1 0 369.421 2.312 20 30 FEEDRO CCS(=O)(=O)CCNC(=[NH2+])N[C@H](C)c1ccc(Cl)cc1Cl ZINC000264244832 549992983 /nfs/dbraw/zinc/99/29/83/549992983.db2.gz FRKNOIJABZTBLU-SECBINFHSA-N 1 0 352.287 2.393 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[S@](=O)[C@H](C)[C@H]1C)C(C)C ZINC000265536513 550011628 /nfs/dbraw/zinc/01/16/28/550011628.db2.gz DSXPDIJRIQYFPQ-AKVMLJAXSA-N 1 0 355.548 2.236 20 30 FEEDRO C#CCSCCNC(=O)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000265800421 550014019 /nfs/dbraw/zinc/01/40/19/550014019.db2.gz QFZPWLWSMMELCN-UHFFFAOYSA-N 1 0 373.522 2.136 20 30 FEEDRO C#CCOc1cc(F)ccc1NC(=O)NC1CC[NH+](CCCOC)CC1 ZINC000266441908 550020552 /nfs/dbraw/zinc/02/05/52/550020552.db2.gz XUGZAEDGGBTUEK-UHFFFAOYSA-N 1 0 363.433 2.460 20 30 FEEDRO CCC(CC)CN(CCC#N)CC(=O)N[C@H](C(=O)NC)c1ccccc1 ZINC000266763497 550024076 /nfs/dbraw/zinc/02/40/76/550024076.db2.gz UNDKQYMZWMRFTL-IBGZPJMESA-N 1 0 358.486 2.242 20 30 FEEDRO COc1ccc(NC(=O)N(CCC#N)CCC[NH+](C)C)c(OC)c1OC ZINC000267963282 550036123 /nfs/dbraw/zinc/03/61/23/550036123.db2.gz YDXWWQIIOYULAK-UHFFFAOYSA-N 1 0 364.446 2.412 20 30 FEEDRO C[NH+](C)CCn1nnnc1SCc1cc(C#N)ccc1Br ZINC000491582370 561446768 /nfs/dbraw/zinc/44/67/68/561446768.db2.gz XFMARLHHEOGSLV-UHFFFAOYSA-N 1 0 367.276 2.161 20 30 FEEDRO C[N@H+](CCNC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1)C1CC1 ZINC000492268622 561450578 /nfs/dbraw/zinc/45/05/78/561450578.db2.gz KEZKERYKVRLERZ-OAHLLOKOSA-N 1 0 359.449 2.060 20 30 FEEDRO C[NH+](C)C[C@@H]1CCCN1S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000269385008 550188875 /nfs/dbraw/zinc/18/88/75/550188875.db2.gz ZDQRZWMTYSXCMG-LBPRGKRZSA-N 1 0 361.389 2.292 20 30 FEEDRO CC(C)[NH+]1CCN(C2CCN(C(=O)NCC#Cc3ccccc3)CC2)CC1 ZINC000270670993 550295289 /nfs/dbraw/zinc/29/52/89/550295289.db2.gz XIGIAEWVJWGIEJ-UHFFFAOYSA-N 1 0 368.525 2.238 20 30 FEEDRO CS[C@H]1CN(CC(=O)Nc2sc(C)c(C)c2C#N)C[C@@H]1[NH+](C)C ZINC000270686919 550296930 /nfs/dbraw/zinc/29/69/30/550296930.db2.gz WLZZDTRVJFLZMN-KBPBESRZSA-N 1 0 352.529 2.153 20 30 FEEDRO C=CC[NH+](CC=C)Cc1ccc(OCC(=O)N2CCOCC2)c(OC)c1 ZINC000270978260 550327755 /nfs/dbraw/zinc/32/77/55/550327755.db2.gz CBMJQKBRYNPAQY-UHFFFAOYSA-N 1 0 360.454 2.107 20 30 FEEDRO C[C@@H]1C[C@@H](NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)CCO1 ZINC000271269481 550359658 /nfs/dbraw/zinc/35/96/58/550359658.db2.gz MEEZGBLPZKMGOF-APWZRJJASA-N 1 0 356.470 2.343 20 30 FEEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)NCC1=CC[N@H+](C)CC1 ZINC000271945338 550412637 /nfs/dbraw/zinc/41/26/37/550412637.db2.gz XHMNYVJMVQYJGZ-AWEZNQCLSA-N 1 0 372.494 2.255 20 30 FEEDRO Cc1cc(NC(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)nn1CCC#N ZINC000272091667 550422443 /nfs/dbraw/zinc/42/24/43/550422443.db2.gz NFFUCLKBYRIMQS-UHFFFAOYSA-N 1 0 358.421 2.498 20 30 FEEDRO C=CCOc1cccc(C[NH2+][C@@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)c1 ZINC000272113875 550423583 /nfs/dbraw/zinc/42/35/83/550423583.db2.gz YDVQJASVCMEPHI-AEFFLSMTSA-N 1 0 351.468 2.077 20 30 FEEDRO CC[NH+]1CCN([C@H](C)CNC(=O)[C@H](Oc2ccccc2C#N)C(C)C)CC1 ZINC000494328756 561467369 /nfs/dbraw/zinc/46/73/69/561467369.db2.gz VYFFDCVTNVXDTM-YLJYHZDGSA-N 1 0 372.513 2.104 20 30 FEEDRO CC(=O)NC1CCC([NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000272248590 550431378 /nfs/dbraw/zinc/43/13/78/550431378.db2.gz UUGZICPEUGQFFS-TVPLGVNVSA-N 1 0 354.454 2.091 20 30 FEEDRO [NH2+]=C(NCc1cccc(C(F)(F)F)c1)NC[C@H]1CC(=O)N(C2CC2)C1 ZINC000272376816 550442152 /nfs/dbraw/zinc/44/21/52/550442152.db2.gz IGPVUCFUGRLHON-GFCCVEGCSA-N 1 0 354.376 2.121 20 30 FEEDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)CCCC(=O)Nc3ccccc3C#N)[C@H]2C1 ZINC000272620333 550461192 /nfs/dbraw/zinc/46/11/92/550461192.db2.gz LSHUPPZSWHFXLN-QAPCUYQASA-N 1 0 354.454 2.220 20 30 FEEDRO CC1(C#N)CCN(C(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)CC1 ZINC000272750190 550468552 /nfs/dbraw/zinc/46/85/52/550468552.db2.gz IRTRJDKTMFSFOK-GOSISDBHSA-N 1 0 356.470 2.088 20 30 FEEDRO C=CCCS(=O)(=O)NCCc1cn2cc(Br)cc(C)c2n1 ZINC000273392493 550496722 /nfs/dbraw/zinc/49/67/22/550496722.db2.gz DTJFGQDSBUQHPQ-UHFFFAOYSA-N 1 0 372.288 2.443 20 30 FEEDRO C#CCOc1ccccc1NC(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000274884577 550562468 /nfs/dbraw/zinc/56/24/68/550562468.db2.gz XUDJOGPOMPVQLK-QZTJIDSGSA-N 1 0 357.454 2.198 20 30 FEEDRO C=CCSc1ccccc1NC(=O)C[N@@H+](CCO)C1CCOCC1 ZINC000275458468 550572332 /nfs/dbraw/zinc/57/23/32/550572332.db2.gz BMXHTPOBZVTMNG-UHFFFAOYSA-N 1 0 350.484 2.377 20 30 FEEDRO C=CCN(CC=C)C(=O)[C@H](C)N[C@H]1CC[N@@H+](CCCOCC)C[C@H]1C ZINC000276243928 550577624 /nfs/dbraw/zinc/57/76/24/550577624.db2.gz OPYNXHFSKHAKFG-QYZOEREBSA-N 1 0 351.535 2.302 20 30 FEEDRO N#Cc1cc(NC(=O)C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)ccc1Cl ZINC000277453260 550672397 /nfs/dbraw/zinc/67/23/97/550672397.db2.gz IFQHVQAJCJCGCO-OAHLLOKOSA-N 1 0 360.845 2.283 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)c2cnc(OCc3ccccc3)cn2)CC1 ZINC000277472651 550674809 /nfs/dbraw/zinc/67/48/09/550674809.db2.gz IXZRQBSJSNGWCL-UHFFFAOYSA-N 1 0 352.438 2.436 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)NCC2CC[NH+](C3CC3)CC2)cc1Cl ZINC000277644839 550696222 /nfs/dbraw/zinc/69/62/22/550696222.db2.gz DENFFYLHLMJMIV-UHFFFAOYSA-N 1 0 353.875 2.364 20 30 FEEDRO C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000278186649 550758905 /nfs/dbraw/zinc/75/89/05/550758905.db2.gz CZEVCIQOLPHDDJ-RHSMWYFYSA-N 1 0 359.426 2.076 20 30 FEEDRO NC(=NOCc1nnc2n1CCCC2)c1ccccc1C[NH+]1CCCCC1 ZINC000278270920 550767558 /nfs/dbraw/zinc/76/75/58/550767558.db2.gz OZIPOHOOSMPGNQ-UHFFFAOYSA-N 1 0 368.485 2.437 20 30 FEEDRO COc1ccc(CNC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)nc1 ZINC000278359318 550777074 /nfs/dbraw/zinc/77/70/74/550777074.db2.gz JKMXAGNZZSAZAK-UHFFFAOYSA-N 1 0 367.453 2.235 20 30 FEEDRO CC(C)(C)N1C[C@H]([NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)CC1=O ZINC000278697388 550812292 /nfs/dbraw/zinc/81/22/92/550812292.db2.gz QOQHYWQBDAFQSM-QGZVFWFLSA-N 1 0 366.469 2.348 20 30 FEEDRO C#CCC(CC#C)C(=O)NCCC[N@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000278770309 550820171 /nfs/dbraw/zinc/82/01/71/550820171.db2.gz WYRQUJWKRWFTBH-NRFANRHFSA-N 1 0 351.494 2.144 20 30 FEEDRO C[C@@H]1C[NH+](CCCNC(=O)c2cc(-c3cccc(C#N)c3)no2)C[C@@H](C)O1 ZINC000278898093 550833672 /nfs/dbraw/zinc/83/36/72/550833672.db2.gz FJTMNLCEZSKZLJ-HUUCEWRRSA-N 1 0 368.437 2.442 20 30 FEEDRO CCOC(=O)c1ncn(C2CC[NH+](Cc3ccc(F)c(C#N)c3)CC2)c1N ZINC000279348753 550880310 /nfs/dbraw/zinc/88/03/10/550880310.db2.gz VHVQSINGNLTMPN-UHFFFAOYSA-N 1 0 371.416 2.490 20 30 FEEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CN2C[C@@H](O)C(C)(C)C2)c1C#N ZINC000279816713 550932147 /nfs/dbraw/zinc/93/21/47/550932147.db2.gz QFXFUUKSSRRMOX-QGZVFWFLSA-N 1 0 370.453 2.259 20 30 FEEDRO C[C@@]1(O)CCC[N@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC1 ZINC000279877825 550938603 /nfs/dbraw/zinc/93/86/03/550938603.db2.gz CJSAKBSJIRNPMG-GOSISDBHSA-N 1 0 368.399 2.410 20 30 FEEDRO N#Cc1ccc(OC2CCC(NC(=O)[C@H]3CCC[N@@H+]3C3CC3)CC2)nc1 ZINC000279963136 550947357 /nfs/dbraw/zinc/94/73/57/550947357.db2.gz SZNASEYWSOENGX-VMWRSERWSA-N 1 0 354.454 2.386 20 30 FEEDRO Cc1cc(C)cc(N(CCC#N)C(=O)CN2CCO[C@]3(CCO[C@@H]3C)C2)c1 ZINC000280532291 551004776 /nfs/dbraw/zinc/00/47/76/551004776.db2.gz SLZBSQPLFITYJZ-WIYYLYMNSA-N 1 0 371.481 2.430 20 30 FEEDRO C[N@H+](CCC(=O)Nc1ccc(C#N)cc1)[C@@H](CC(N)=O)c1ccccc1 ZINC000280642893 551016818 /nfs/dbraw/zinc/01/68/18/551016818.db2.gz YJWFJMDJEWEBPZ-SFHVURJKSA-N 1 0 350.422 2.435 20 30 FEEDRO CN(C(=O)[C@@H]1CC[N@H+](CC(=O)NC2(C#N)CCCCC2)C1)c1ccccc1 ZINC000280700356 551022894 /nfs/dbraw/zinc/02/28/94/551022894.db2.gz GYBTWFIQTWZTHT-QGZVFWFLSA-N 1 0 368.481 2.314 20 30 FEEDRO N#Cc1ccc(C(=O)NCC(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)cc1 ZINC000281003894 551053857 /nfs/dbraw/zinc/05/38/57/551053857.db2.gz ODGYRBGVRJAAEW-LJQANCHMSA-N 1 0 368.481 2.201 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1ccn(-c2cccc(C#N)c2)n1 ZINC000281118300 551065478 /nfs/dbraw/zinc/06/54/78/551065478.db2.gz AIXIYMWTAUDVIN-UHFFFAOYSA-N 1 0 350.426 2.052 20 30 FEEDRO C=CCN1CC[C@H]([N@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCC3)C1=O ZINC000281292329 551081685 /nfs/dbraw/zinc/08/16/85/551081685.db2.gz JHRGJRXEBKHFBI-HNNXBMFYSA-N 1 0 372.494 2.156 20 30 FEEDRO C=CCN1CC[C@@H]([NH+]2CCC(C(=O)NCc3ccc(C)c(F)c3)CC2)C1=O ZINC000281925575 551158767 /nfs/dbraw/zinc/15/87/67/551158767.db2.gz HNTGHHWNMAWWHP-LJQANCHMSA-N 1 0 373.472 2.249 20 30 FEEDRO C=CCOc1ccc(C(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)cc1 ZINC000497462084 561501458 /nfs/dbraw/zinc/50/14/58/561501458.db2.gz OOWYTDLCQRDDNZ-XLIONFOSSA-N 1 0 357.498 2.349 20 30 FEEDRO C[C@@H](CC#N)N(C)S(=O)(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000282992140 551294825 /nfs/dbraw/zinc/29/48/25/551294825.db2.gz NASLPEOTRPHUDX-LSDHHAIUSA-N 1 0 370.544 2.028 20 30 FEEDRO C[C@H](O)c1ncc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)s1 ZINC000283073594 551307697 /nfs/dbraw/zinc/30/76/97/551307697.db2.gz PXQWKKOUFQGFGY-ZDUSSCGKSA-N 1 0 358.467 2.272 20 30 FEEDRO C[C@H](NC(=O)C(=O)NC[C@@H](c1ccccc1)[NH+](C)C)c1ccc(C#N)cc1 ZINC000283136239 551317279 /nfs/dbraw/zinc/31/72/79/551317279.db2.gz BJZDDWCFCZCLMT-KXBFYZLASA-N 1 0 364.449 2.155 20 30 FEEDRO C=C(C)Cn1c(C(=O)NC(C)C)nnc1N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000283494097 551376206 /nfs/dbraw/zinc/37/62/06/551376206.db2.gz DBNKFQWLHSMWME-MRXNPFEDSA-N 1 0 362.522 2.161 20 30 FEEDRO CC(C)[C@@H](CNC(=O)C(=O)NCc1cccc(C#N)c1)[NH+]1CCC(C)CC1 ZINC000283852319 551438481 /nfs/dbraw/zinc/43/84/81/551438481.db2.gz FUBJNTBGSGSRTE-LJQANCHMSA-N 1 0 370.497 2.047 20 30 FEEDRO C[C@@H](NC(=O)C(=O)NC1CC[NH+](C2CCCC2)CC1)c1ccc(C#N)cc1 ZINC000283917016 551449717 /nfs/dbraw/zinc/44/97/17/551449717.db2.gz FGFDBFBXOJIHLH-OAHLLOKOSA-N 1 0 368.481 2.259 20 30 FEEDRO C[C@H](NC(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)c1ccc(C#N)cc1 ZINC000284092645 551482043 /nfs/dbraw/zinc/48/20/43/551482043.db2.gz SREQYNFRQBSANT-YOEHRIQHSA-N 1 0 358.486 2.218 20 30 FEEDRO N#Cc1cccc(CNC(=O)C(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)c1 ZINC000284178400 551498691 /nfs/dbraw/zinc/49/86/91/551498691.db2.gz ZHGQZILKZXIALR-LJQANCHMSA-N 1 0 368.481 2.088 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)CCOC[C@H]1CCCO1 ZINC000498387784 561523826 /nfs/dbraw/zinc/52/38/26/561523826.db2.gz YXKYQRYOFQNFKM-LJQANCHMSA-N 1 0 359.470 2.034 20 30 FEEDRO C=CCN(CC=C)C(=O)C[NH2+][C@@H](C)c1ccc(S(=O)(=O)CC)cc1 ZINC000284805828 551638446 /nfs/dbraw/zinc/63/84/46/551638446.db2.gz PWFCNWCASSEETP-HNNXBMFYSA-N 1 0 350.484 2.331 20 30 FEEDRO CC[N@@H+]1C[C@H](C)N(C(=O)[C@@H]2CCCN(c3nc(C)ccc3C#N)C2)C[C@H]1C ZINC000498572152 561529196 /nfs/dbraw/zinc/52/91/96/561529196.db2.gz OAAUIXURUMVZAU-ZIFCJYIRSA-N 1 0 369.513 2.419 20 30 FEEDRO C=CCN(CCc1ccco1)C(=O)C(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000285260299 551728221 /nfs/dbraw/zinc/72/82/21/551728221.db2.gz YLIFPTSBYVYTPU-UHFFFAOYSA-N 1 0 369.465 2.085 20 30 FEEDRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)c2cc(C#N)ccc2Cl)CC1 ZINC000285431042 551755659 /nfs/dbraw/zinc/75/56/59/551755659.db2.gz KQTSRZDSZPWGSK-MRXNPFEDSA-N 1 0 360.889 2.454 20 30 FEEDRO CN(C)[C@H](CNS(=O)(=O)CC1(C#N)CCCC1)c1ccc(F)cc1 ZINC000498849358 561535771 /nfs/dbraw/zinc/53/57/71/561535771.db2.gz IXRWLFQKQHKAMF-MRXNPFEDSA-N 1 0 353.463 2.432 20 30 FEEDRO COCC[NH+](CCOC)C1CCN(c2ccc(C#N)cc2[N+](=O)[O-])CC1 ZINC000286239538 551864660 /nfs/dbraw/zinc/86/46/60/551864660.db2.gz DEAWHQFJKOIGAK-UHFFFAOYSA-N 1 0 362.430 2.030 20 30 FEEDRO CCOC[C@H]([NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1)C(C)C ZINC000286329436 551875149 /nfs/dbraw/zinc/87/51/49/551875149.db2.gz WYUZPZFUUMNFPB-KRWDZBQOSA-N 1 0 355.442 2.333 20 30 FEEDRO N#CCCN(C(=O)CN1CC[C@H](C(F)(F)F)[C@@H](CO)C1)c1ccccc1 ZINC000286403398 551883809 /nfs/dbraw/zinc/88/38/09/551883809.db2.gz HOESWLRHERQJFQ-ZBFHGGJFSA-N 1 0 369.387 2.426 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@H](C)c2ccc(C)cc2)CC1 ZINC000286460990 551888135 /nfs/dbraw/zinc/88/81/35/551888135.db2.gz IBPSALRRIHPXFJ-KRWDZBQOSA-N 1 0 357.498 2.371 20 30 FEEDRO Cc1cc(NC(=O)N2CC([N@H+](C)Cc3ccccc3)C2)nn1CCC#N ZINC000286976542 551947201 /nfs/dbraw/zinc/94/72/01/551947201.db2.gz FMJGONFHPXPUOT-UHFFFAOYSA-N 1 0 352.442 2.453 20 30 FEEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000287327684 551989960 /nfs/dbraw/zinc/98/99/60/551989960.db2.gz WWGQQQXTPNJDGX-RTBURBONSA-N 1 0 370.497 2.286 20 30 FEEDRO C=CCN(CCc1ccccc1)C(=O)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000287375670 551996388 /nfs/dbraw/zinc/99/63/88/551996388.db2.gz ZUSNSGVKYJIDSZ-MOPGFXCFSA-N 1 0 357.498 2.233 20 30 FEEDRO CCCN(CC[NH+]1CCCCC1)C(=O)C(=O)Nc1ccc(C#N)cc1F ZINC000287716522 552037809 /nfs/dbraw/zinc/03/78/09/552037809.db2.gz BZYFRUNQQFAZGU-UHFFFAOYSA-N 1 0 360.433 2.360 20 30 FEEDRO C#CCC(CC#C)C(=O)NC1CC[NH+](CCOc2ccc(F)cc2)CC1 ZINC000288204141 552109836 /nfs/dbraw/zinc/10/98/36/552109836.db2.gz YMSFSXYXTFRWPC-UHFFFAOYSA-N 1 0 356.441 2.448 20 30 FEEDRO C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000288228127 552114745 /nfs/dbraw/zinc/11/47/45/552114745.db2.gz UXNXJIHCDYZTPT-XHSDSOJGSA-N 1 0 370.453 2.001 20 30 FEEDRO C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000288228121 552114996 /nfs/dbraw/zinc/11/49/96/552114996.db2.gz UXNXJIHCDYZTPT-OAGGEKHMSA-N 1 0 370.453 2.001 20 30 FEEDRO C#CC[C@H](Cc1ccccc1)NC(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000288233300 552115855 /nfs/dbraw/zinc/11/58/55/552115855.db2.gz RRXVNXXFWNGYSY-PKOBYXMFSA-N 1 0 357.498 2.108 20 30 FEEDRO N#CC1(C(=O)N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)CCOCC1 ZINC000288258756 552121074 /nfs/dbraw/zinc/12/10/74/552121074.db2.gz GKWVBXRHSZLBEA-FQEVSTJZSA-N 1 0 353.466 2.431 20 30 FEEDRO C#CC[C@@H](Cc1ccccc1)NC(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000288518202 552167524 /nfs/dbraw/zinc/16/75/24/552167524.db2.gz PCDCIDRSDAJLEA-ICSRJNTNSA-N 1 0 357.498 2.421 20 30 FEEDRO CC(C)(C)OC(=O)N1CCN2C(NC[C@@H]3COc4ccccc43)=[NH+]C[C@H]2C1 ZINC000288778756 552211283 /nfs/dbraw/zinc/21/12/83/552211283.db2.gz WCFXEAQIQNJGLP-CABCVRRESA-N 1 0 372.469 2.043 20 30 FEEDRO COCC1(C#N)CCN(C(=O)NC[C@H]2CCC[N@H+](CC(C)C)C2)CC1 ZINC000500179883 561567320 /nfs/dbraw/zinc/56/73/20/561567320.db2.gz GUUAWZALDYVVKT-QGZVFWFLSA-N 1 0 350.507 2.316 20 30 FEEDRO Cn1c(CC2CC2)nnc1N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000289303671 552298168 /nfs/dbraw/zinc/29/81/68/552298168.db2.gz IXMWMGRMBXOPMB-UHFFFAOYSA-N 1 0 350.470 2.352 20 30 FEEDRO N#CCOc1ccc(C[N@H+]2CCC[C@@H](CNC(=O)C(F)(F)F)C2)cc1 ZINC000289365539 552308137 /nfs/dbraw/zinc/30/81/37/552308137.db2.gz APOFXDHBXIVEQO-AWEZNQCLSA-N 1 0 355.360 2.479 20 30 FEEDRO COc1ccc(C[N@@H+]2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)cc1C#N ZINC000289403785 552315544 /nfs/dbraw/zinc/31/55/44/552315544.db2.gz GCFUIVFEBJLPQW-CYBMUJFWSA-N 1 0 355.360 2.457 20 30 FEEDRO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@H]1N2S(=O)(=O)c1cncc(C#N)c1 ZINC000289648385 552355609 /nfs/dbraw/zinc/35/56/09/552355609.db2.gz GCEGNJHNCXZHOS-PKOBYXMFSA-N 1 0 368.462 2.258 20 30 FEEDRO Cn1cc(CN2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)cc1C#N ZINC000289681579 552361017 /nfs/dbraw/zinc/36/10/17/552361017.db2.gz NYSFPISFDORRET-OAQYLSRUSA-N 1 0 363.509 2.289 20 30 FEEDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(S(=O)(=O)c2cncc(C#N)c2)C1 ZINC000289875549 552392929 /nfs/dbraw/zinc/39/29/29/552392929.db2.gz RCSYXUZROYTNPD-HOTGVXAUSA-N 1 0 362.499 2.228 20 30 FEEDRO N#Cc1c(NC(=O)C[C@@H]2CN(Cc3ccccc3)CCO2)n[nH]c1C1CC1 ZINC000290390901 552471663 /nfs/dbraw/zinc/47/16/63/552471663.db2.gz IABJSDUHWFDUPR-MRXNPFEDSA-N 1 0 365.437 2.388 20 30 FEEDRO C#Cc1cc(F)c(NC(=O)C(=O)N[C@H](C)C[N@@H+](CC)CCC)c(F)c1 ZINC000290398400 552473219 /nfs/dbraw/zinc/47/32/19/552473219.db2.gz MZBXJIAMMVGGAP-GFCCVEGCSA-N 1 0 351.397 2.121 20 30 FEEDRO CCCCNC(=[NH2+])NCc1cccc(N2C(=O)NC3(CCCC3)C2=O)c1 ZINC000290704790 552523433 /nfs/dbraw/zinc/52/34/33/552523433.db2.gz SNGOJVLUZQZGGM-UHFFFAOYSA-N 1 0 357.458 2.260 20 30 FEEDRO CN(C)c1cc(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)ncn1 ZINC000290739329 552529046 /nfs/dbraw/zinc/52/90/46/552529046.db2.gz PYMORQOCEFKIKG-UHFFFAOYSA-N 1 0 367.457 2.010 20 30 FEEDRO CO[C@@](C)(CNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)C1CC1 ZINC000292169779 552700744 /nfs/dbraw/zinc/70/07/44/552700744.db2.gz FUYDFUSAZFJXSD-FQEVSTJZSA-N 1 0 358.486 2.447 20 30 FEEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292195782 552703349 /nfs/dbraw/zinc/70/33/49/552703349.db2.gz RTXQMHXCAMAZKG-UWJYYQICSA-N 1 0 370.497 2.358 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)CC1 ZINC000292246944 552708351 /nfs/dbraw/zinc/70/83/51/552708351.db2.gz JYAGRJKSSBKRPD-GOSISDBHSA-N 1 0 369.469 2.156 20 30 FEEDRO COc1ccc(NC(=O)CN2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1 ZINC000292345799 552717955 /nfs/dbraw/zinc/71/79/55/552717955.db2.gz XEQUZGAWPSMPGN-QGZVFWFLSA-N 1 0 352.394 2.054 20 30 FEEDRO C[NH+](C)CCCC1CCN(S(=O)(=O)c2ccc(C#N)c(F)c2)CC1 ZINC000292479405 552730394 /nfs/dbraw/zinc/73/03/94/552730394.db2.gz FKOAZHZXGNTUTQ-UHFFFAOYSA-N 1 0 353.463 2.440 20 30 FEEDRO N#CCCN(CCC#N)C(=O)C[NH2+][C@@H](c1ccccc1)C1(CO)CCC1 ZINC000292902330 552769842 /nfs/dbraw/zinc/76/98/42/552769842.db2.gz ZQPAQPALQJQHEN-IBGZPJMESA-N 1 0 354.454 2.136 20 30 FEEDRO CC(C)(CO)[C@H]([NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1)C1CC1 ZINC000293037567 552783010 /nfs/dbraw/zinc/78/30/10/552783010.db2.gz LTDWMAGCXFJGHE-GOSISDBHSA-N 1 0 367.453 2.069 20 30 FEEDRO N#Cc1ccc(NC(=O)C(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)nc1 ZINC000293141425 552792900 /nfs/dbraw/zinc/79/29/00/552792900.db2.gz RVTNTSQYJSSWTB-QGZVFWFLSA-N 1 0 369.469 2.006 20 30 FEEDRO C[N@@H+]1CCC[C@]2(CCN(C(=O)C(=O)Nc3cc(C#N)ccc3Cl)C2)C1 ZINC000293377064 552817192 /nfs/dbraw/zinc/81/71/92/552817192.db2.gz NFSSIVPKZCYFHO-SFHVURJKSA-N 1 0 360.845 2.094 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)NCCc2ccc(OC)c(OC)c2Cl)CC1 ZINC000294028930 552876492 /nfs/dbraw/zinc/87/64/92/552876492.db2.gz NUEKORKILNULJP-UHFFFAOYSA-N 1 0 364.873 2.361 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)CCCCNC(=O)OCc1ccccc1 ZINC000294117999 552883355 /nfs/dbraw/zinc/88/33/55/552883355.db2.gz ZLTKBWIBACLLJH-UHFFFAOYSA-N 1 0 359.470 2.154 20 30 FEEDRO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)Cc1ccc(F)cc1C#N ZINC000294243641 552890776 /nfs/dbraw/zinc/89/07/76/552890776.db2.gz PLRYHWPSJUYSFI-IRXDYDNUSA-N 1 0 351.447 2.086 20 30 FEEDRO N#Cc1cc(Br)ccc1C(=O)NCCCC[NH+]1CCOCC1 ZINC000294639453 552922640 /nfs/dbraw/zinc/92/26/40/552922640.db2.gz XQHRFFGJCYEODA-UHFFFAOYSA-N 1 0 366.259 2.163 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)Nc2nnc(-c3ccccc3OC)s2)CC1 ZINC000295515036 553019000 /nfs/dbraw/zinc/01/90/00/553019000.db2.gz DBLYOBKBGDYYSO-UHFFFAOYSA-N 1 0 356.451 2.497 20 30 FEEDRO C#CCO[C@H](C)C(=O)NC1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000295766714 553056353 /nfs/dbraw/zinc/05/63/53/553056353.db2.gz IDNFPPJANWTYBK-OAHLLOKOSA-N 1 0 364.873 2.338 20 30 FEEDRO C[NH+](C)C1(CNC(=O)c2ccc(Br)cc2C#N)CCOCC1 ZINC000296026189 553091740 /nfs/dbraw/zinc/09/17/40/553091740.db2.gz ZLRVPOLZTGNDRS-UHFFFAOYSA-N 1 0 366.259 2.161 20 30 FEEDRO C=CCn1c(Cn2nc(C)cc2C)nnc1N1CC[NH+]([C@@H](C)CC)CC1 ZINC000296066968 553099147 /nfs/dbraw/zinc/09/91/47/553099147.db2.gz WIPABBOHNZMFRX-INIZCTEOSA-N 1 0 357.506 2.246 20 30 FEEDRO CC1(C)[C@H]([NH2+]CC(=O)Nc2c(C#N)cnn2-c2ccccc2)[C@H]2CCO[C@H]21 ZINC000296089830 553103165 /nfs/dbraw/zinc/10/31/65/553103165.db2.gz HJJHQLAAEJETPM-KBAYOESNSA-N 1 0 365.437 2.086 20 30 FEEDRO N#Cc1cc(NC(=O)C(=O)NC2CC[NH+](C3CCC3)CC2)ccc1Cl ZINC000296212186 553123366 /nfs/dbraw/zinc/12/33/66/553123366.db2.gz PCZVWRUVTXSQKM-UHFFFAOYSA-N 1 0 360.845 2.283 20 30 FEEDRO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1sc(C(C)(C)C)cc1C#N ZINC000296561013 553179813 /nfs/dbraw/zinc/17/98/13/553179813.db2.gz NSYHRJVRMHHSFL-ZDUSSCGKSA-N 1 0 362.499 2.456 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000296791005 553212208 /nfs/dbraw/zinc/21/22/08/553212208.db2.gz HNLKCRXTCWXWCK-UHFFFAOYSA-N 1 0 374.441 2.103 20 30 FEEDRO C[N@@H+]1CC[C@@]2(CCN(C(=O)C(=O)Nc3sc(C(C)(C)C)cc3C#N)C2)C1 ZINC000296845875 553219405 /nfs/dbraw/zinc/21/94/05/553219405.db2.gz IYGLIIZXQGZJGZ-LJQANCHMSA-N 1 0 374.510 2.410 20 30 FEEDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000502850950 561627612 /nfs/dbraw/zinc/62/76/12/561627612.db2.gz BVDVNESQKZGLJX-SJORKVTESA-N 1 0 356.470 2.054 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)N1CCC[C@H]1Cn1cnc2ccccc21 ZINC000296884819 553224872 /nfs/dbraw/zinc/22/48/72/553224872.db2.gz LZRASSRRQADPIC-KRWDZBQOSA-N 1 0 353.470 2.165 20 30 FEEDRO CN(CCNC(=O)OC(C)(C)C)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000297285641 553273339 /nfs/dbraw/zinc/27/33/39/553273339.db2.gz ABRYDXXSLQTGFM-INIZCTEOSA-N 1 0 358.442 2.120 20 30 FEEDRO C[NH+](C)C1(CNC(=O)C(=O)Nc2sc(C(C)(C)C)cc2C#N)CCC1 ZINC000297335353 553279760 /nfs/dbraw/zinc/27/97/60/553279760.db2.gz JOPRIEWWGBXGDF-UHFFFAOYSA-N 1 0 362.499 2.456 20 30 FEEDRO Cc1nsc(NC(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)c1C#N ZINC000297552069 553308172 /nfs/dbraw/zinc/30/81/72/553308172.db2.gz ZPQONXSILRZYBE-OAHLLOKOSA-N 1 0 371.466 2.212 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)NC1(Cc2ccc(F)cc2)CCOCC1 ZINC000297556963 553308467 /nfs/dbraw/zinc/30/84/67/553308467.db2.gz RPWAGVLJZFOXNS-UHFFFAOYSA-N 1 0 361.461 2.172 20 30 FEEDRO CC[NH+]1CCN(c2ccc(CNc3cc(C#N)nc(C4CC4)n3)cn2)CC1 ZINC000601104771 553347730 /nfs/dbraw/zinc/34/77/30/553347730.db2.gz GMQXVNFEEKPRPG-UHFFFAOYSA-N 1 0 363.469 2.375 20 30 FEEDRO C=C(C)CN(Cc1ccccc1)C(=O)C(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000298011675 553370899 /nfs/dbraw/zinc/37/08/99/553370899.db2.gz LDJRBVJDUQLJCH-NRFANRHFSA-N 1 0 355.482 2.146 20 30 FEEDRO CNC(=O)[C@@H]1CCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000298032432 553374150 /nfs/dbraw/zinc/37/41/50/553374150.db2.gz FSZHWNREMIFJOF-DOMZBBRYSA-N 1 0 374.510 2.284 20 30 FEEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[NH2+][C@@H]3C(=O)NCC[C@H]3C)sc2C1 ZINC000298374119 553418160 /nfs/dbraw/zinc/41/81/60/553418160.db2.gz DBFMSWHKILMMAI-QFSBIZTOSA-N 1 0 374.510 2.187 20 30 FEEDRO N#Cc1ccc(N2CC[C@@H]([NH2+][C@@H](CC(N)=O)C3CCCCC3)C2=O)cc1 ZINC000298856655 553481745 /nfs/dbraw/zinc/48/17/45/553481745.db2.gz IWNDSRRGSXQPDD-MSOLQXFVSA-N 1 0 354.454 2.077 20 30 FEEDRO N#Cc1ccc(N2CC[C@H](N3CCN(c4cncc(F)c4)CC3)C2=O)cc1 ZINC000299734796 553609919 /nfs/dbraw/zinc/60/99/19/553609919.db2.gz ZXOGDRJYDHOGSQ-IBGZPJMESA-N 1 0 365.412 2.020 20 30 FEEDRO CC[NH+](CC)C[C@@H](C)NC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000504440200 561658279 /nfs/dbraw/zinc/65/82/79/561658279.db2.gz AKFYUWDHCWMQRD-CRAIPNDOSA-N 1 0 371.485 2.083 20 30 FEEDRO Cc1nnc(N2CCN(CC[N@@H+](C)Cc3ccccc3)CC2)c(C#N)c1C ZINC000301175755 553628475 /nfs/dbraw/zinc/62/84/75/553628475.db2.gz GDEISYSTJJWBBL-UHFFFAOYSA-N 1 0 364.497 2.219 20 30 FEEDRO C[NH+](C)[C@H](CNc1ccc(S(N)(=O)=O)cc1C#N)c1ccc(F)cc1 ZINC000301372953 553646371 /nfs/dbraw/zinc/64/63/71/553646371.db2.gz QHDIZRRWRMVLBZ-QGZVFWFLSA-N 1 0 362.430 2.060 20 30 FEEDRO C=CC[NH+]1CCC(Nc2c([N+](=O)[O-])cc(CO)c(C)c2[N+](=O)[O-])CC1 ZINC000301383806 553647568 /nfs/dbraw/zinc/64/75/68/553647568.db2.gz BJFIMZIPAGWVCT-UHFFFAOYSA-N 1 0 350.375 2.366 20 30 FEEDRO N#Cc1nc(NCCC(=O)N2CCN(c3ccccn3)CC2)ccc1Cl ZINC000301544285 553659407 /nfs/dbraw/zinc/65/94/07/553659407.db2.gz SUEWVOSEPLLOOK-UHFFFAOYSA-N 1 0 370.844 2.152 20 30 FEEDRO Cc1cc(NC(=O)N(CCN2CCOCC2)Cc2ccco2)ncc1C#N ZINC000603139903 553714059 /nfs/dbraw/zinc/71/40/59/553714059.db2.gz YIYCKEWWAFIOAI-UHFFFAOYSA-N 1 0 369.425 2.221 20 30 FEEDRO C[C@H](CNC(=O)N1CCS(=O)(=O)[C@@H]2CCCC[C@@H]21)[N@@H+]1CCC[C@@H](C)C1 ZINC000328598651 553794630 /nfs/dbraw/zinc/79/46/30/553794630.db2.gz BIICSRDGTQXOKI-WCXIOVBPSA-N 1 0 371.547 2.062 20 30 FEEDRO Cc1cc(COCC(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)on1 ZINC000328666781 553804904 /nfs/dbraw/zinc/80/49/04/553804904.db2.gz DBMGUHSZHMAQAP-SJORKVTESA-N 1 0 351.447 2.224 20 30 FEEDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NC1CCN(C(=O)C2CC2)CC1 ZINC000328693589 553808175 /nfs/dbraw/zinc/80/81/75/553808175.db2.gz SGULGYWVDISQRW-CABCVRRESA-N 1 0 350.507 2.011 20 30 FEEDRO O=C(NCC1([NH+]2CCCC2)CCOCC1)N[C@H]1CCC(=O)NC12CCC2 ZINC000328727924 553813120 /nfs/dbraw/zinc/81/31/20/553813120.db2.gz DNQBCEUPXMBPCI-HNNXBMFYSA-N 1 0 364.490 2.177 20 30 FEEDRO C[C@@H]1C[C@H](NC(=O)N[C@H]2CCN(C(=O)Nc3ccccc3)C2)CC[N@@H+]1C ZINC000328728527 553813230 /nfs/dbraw/zinc/81/32/30/553813230.db2.gz GXQOZRCWGORLCY-OIISXLGYSA-N 1 0 359.474 2.293 20 30 FEEDRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)N[C@H]1CCCC12CCOCC2 ZINC000328852606 553832883 /nfs/dbraw/zinc/83/28/83/553832883.db2.gz XAYYFCYBXPEUDX-CVEARBPZSA-N 1 0 353.507 2.027 20 30 FEEDRO O=C(NCC1(C[NH+]2CCOCC2)CCCCC1)c1ccc2n[nH]c(=O)n2c1 ZINC000328910505 553843209 /nfs/dbraw/zinc/84/32/09/553843209.db2.gz FQSAASCCKOHWFR-UHFFFAOYSA-N 1 0 373.457 2.022 20 30 FEEDRO CC(=O)N1CCN(C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)CC12CCCCC2 ZINC000328963281 553854537 /nfs/dbraw/zinc/85/45/37/553854537.db2.gz LKJVPOBVEGEIOQ-NVXWUHKLSA-N 1 0 350.507 2.250 20 30 FEEDRO CC(C)c1nc(C(=O)NC2CC[NH+]([C@@H]3CCN(C)C3=O)CC2)cs1 ZINC000329052985 553872113 /nfs/dbraw/zinc/87/21/13/553872113.db2.gz ADPAGGKDBFWTRG-CQSZACIVSA-N 1 0 350.488 2.266 20 30 FEEDRO C[NH+]1CCC2(CCCN2C(=O)N[C@@H]2CCN(c3ccccc3F)C2=O)CC1 ZINC000329100596 553880519 /nfs/dbraw/zinc/88/05/19/553880519.db2.gz ZNPRJXUSVFFDFC-MRXNPFEDSA-N 1 0 374.460 2.405 20 30 FEEDRO CC[N@@H+]1CCC[C@H](CNC(=O)N[C@H]2CCO[C@@H]2c2ccc(OC)nc2)C1 ZINC000329131799 553886473 /nfs/dbraw/zinc/88/64/73/553886473.db2.gz OZNVKVYWFHHXCF-UWWQBHOKSA-N 1 0 362.474 2.156 20 30 FEEDRO O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)c1cnn2c1[nH]c(=O)c1ccccc12 ZINC000329135162 553886901 /nfs/dbraw/zinc/88/69/01/553886901.db2.gz BZLDOQLHCWDRHW-ZDUSSCGKSA-N 1 0 365.437 2.497 20 30 FEEDRO C[C@@H]1CCC[C@](CNC(=O)N2CCOC[C@@H]2[C@@H]2CCC[C@H]2O)([NH+](C)C)C1 ZINC000329142904 553888475 /nfs/dbraw/zinc/88/84/75/553888475.db2.gz VGUPMAWSLNSRHK-LYYGHALDSA-N 1 0 367.534 2.273 20 30 FEEDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCOC[C@@H]1[C@@H]1CCC[C@@H]1OC ZINC000329151076 553890232 /nfs/dbraw/zinc/89/02/32/553890232.db2.gz ZWXFWRIMIYHVRW-XDNAFOTISA-N 1 0 353.507 2.291 20 30 FEEDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCN(c4ccc(C#N)cc4F)C3)[C@H]2C1 ZINC000329172276 553894928 /nfs/dbraw/zinc/89/49/28/553894928.db2.gz AFSJWWAVOFEITA-GJYPPUQNSA-N 1 0 356.445 2.076 20 30 FEEDRO CN1CC[C@@H]([NH+]2CCC(NC(=O)Cc3c[nH]c4ccccc34)CC2)C1=O ZINC000329172488 553894965 /nfs/dbraw/zinc/89/49/65/553894965.db2.gz KZLOZJOVWCPZOH-GOSISDBHSA-N 1 0 354.454 2.362 20 30 FEEDRO CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@@H]2CC(=O)N(C3CCCCC3)C2)C1 ZINC000329196015 553899843 /nfs/dbraw/zinc/89/98/43/553899843.db2.gz VQDWZRKWUUHWEG-NVXWUHKLSA-N 1 0 350.507 2.250 20 30 FEEDRO C[NH+](C)[C@H](CNC(=O)N1CCOC[C@@H]1[C@@H]1CCCO1)c1ccc(F)cc1 ZINC000329232701 553907569 /nfs/dbraw/zinc/90/75/69/553907569.db2.gz LMLRHCZQSAVEGN-KURKYZTESA-N 1 0 365.449 2.222 20 30 FEEDRO CC(=O)NC[C@@H]1CCn2ncc(C(=O)N3CC[C@H]([NH+]4CCCC4)[C@H]3C)c2C1 ZINC000329235938 553908246 /nfs/dbraw/zinc/90/82/46/553908246.db2.gz NYCHKEDTZXVQDR-KYJSFNMBSA-N 1 0 373.501 2.121 20 30 FEEDRO CCN1CCc2nc(NC(=O)c3nn(C)c4ccccc4c3=O)sc2C1 ZINC000329239469 553908895 /nfs/dbraw/zinc/90/88/95/553908895.db2.gz QIGCWRBHTWNUIE-UHFFFAOYSA-N 1 0 369.450 2.404 20 30 FEEDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)N1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000329258912 553912879 /nfs/dbraw/zinc/91/28/79/553912879.db2.gz ADLGDSHBOZMHKO-ARFHVFGLSA-N 1 0 358.490 2.402 20 30 FEEDRO C[C@@H](C(=O)N[C@@H]1CCCN(S(=O)(=O)C2CC2)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000329264442 553913763 /nfs/dbraw/zinc/91/37/63/553913763.db2.gz GRYRRMXJCNBPNI-LJISPDSOSA-N 1 0 357.520 2.161 20 30 FEEDRO CN(C)C(=O)C1(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000329268885 553913966 /nfs/dbraw/zinc/91/39/66/553913966.db2.gz DXMULZJLVBHZNZ-KRWDZBQOSA-N 1 0 359.470 2.102 20 30 FEEDRO CC(=O)N1CCCN(C(=O)NC[C@H]2CCC[N@@H+]2CC2CCCCC2)CC1 ZINC000329297587 553920250 /nfs/dbraw/zinc/92/02/50/553920250.db2.gz TYJXSYOVECIMKI-LJQANCHMSA-N 1 0 364.534 2.499 20 30 FEEDRO CN(C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C)[C@H]1CCSC1 ZINC000329317513 553923934 /nfs/dbraw/zinc/92/39/34/553923934.db2.gz HWLYGYKJESGMDO-OFQRWUPVSA-N 1 0 351.520 2.154 20 30 FEEDRO Cc1cc(N2CCC(NC(=O)N[C@H](C)[C@@H]3CCCOC3)CC2)nc(C)n1 ZINC000329320271 553924599 /nfs/dbraw/zinc/92/45/99/553924599.db2.gz DWSZHYFGVKYMDX-GDBMZVCRSA-N 1 0 361.490 2.381 20 30 FEEDRO Cc1noc([C@H](NC(=O)N2CCC(c3c[nH]cn3)CC2)C2CCOCC2)n1 ZINC000329375875 553934398 /nfs/dbraw/zinc/93/43/98/553934398.db2.gz LBQSVHSAPYSVSI-MRXNPFEDSA-N 1 0 374.445 2.362 20 30 FEEDRO C[C@H](CCNC(=O)N1CC[C@H](C(=O)N2CCCC2)C1)[NH+]1CCCCC1 ZINC000329377101 553934856 /nfs/dbraw/zinc/93/48/56/553934856.db2.gz LVIATZSJOBZPGY-SJORKVTESA-N 1 0 350.507 2.109 20 30 FEEDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NCC(=O)N(C)C1CCCCC1 ZINC000329409253 553941231 /nfs/dbraw/zinc/94/12/31/553941231.db2.gz CRFNCZZJKBGHIR-NVXWUHKLSA-N 1 0 350.507 2.250 20 30 FEEDRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2C(=O)CCc3ccccc32)C1 ZINC000329439179 553947343 /nfs/dbraw/zinc/94/73/43/553947343.db2.gz JXHWONPWFNKUKW-QGZVFWFLSA-N 1 0 359.470 2.279 20 30 FEEDRO CC[N@@H+]1C[C@H](C)N(C(=O)N[C@H](c2nccn2C)C2CCOCC2)C[C@H]1C ZINC000329456819 553950593 /nfs/dbraw/zinc/95/05/93/553950593.db2.gz NBWCGIASEDJZIM-VYDXJSESSA-N 1 0 363.506 2.216 20 30 FEEDRO CCO[C@@H]1C[C@H](NC(=O)N(C)[C@@H]2CC[N@H+](CC)C[C@@H]2C)[C@@]12CCCO2 ZINC000329524925 553962121 /nfs/dbraw/zinc/96/21/21/553962121.db2.gz QQYYIPXGBFPVAQ-KMOPNRPKSA-N 1 0 353.507 2.289 20 30 FEEDRO C[C@@H]1C(=O)CC[C@@H](C(=O)N2CCC(C(=O)NCC[NH+](C)C)CC2)C1(C)C ZINC000329582942 553971919 /nfs/dbraw/zinc/97/19/19/553971919.db2.gz LOUSNMZQJKJMFN-ZBFHGGJFSA-N 1 0 365.518 2.385 20 30 FEEDRO CCC[C@]1(NC(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CCOC1 ZINC000329587692 553972322 /nfs/dbraw/zinc/97/23/22/553972322.db2.gz YTSVPVGHHLMFHO-LMMKCTJWSA-N 1 0 353.507 2.217 20 30 FEEDRO CC(C)[NH+]1CCC(NC(=O)N2CCS(=O)(=O)C3(CCCCC3)C2)CC1 ZINC000329620462 553977798 /nfs/dbraw/zinc/97/77/98/553977798.db2.gz MSODBJGJUPUTCD-UHFFFAOYSA-N 1 0 371.547 2.207 20 30 FEEDRO C[C@H]1C[C@H](NC(=O)N2CCC[C@@H]([NH+](C)C)C2)c2ccsc2S1(=O)=O ZINC000329625081 553978830 /nfs/dbraw/zinc/97/88/30/553978830.db2.gz OJRKRNCZNSGZKC-SCRDCRAPSA-N 1 0 371.528 2.295 20 30 FEEDRO O=C(CCNC(=O)C1CCCCC1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000329631861 553979696 /nfs/dbraw/zinc/97/96/96/553979696.db2.gz WDAPFWLOFWIMKQ-INIZCTEOSA-N 1 0 351.491 2.094 20 30 FEEDRO CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)CC1 ZINC000329734923 553997228 /nfs/dbraw/zinc/99/72/28/553997228.db2.gz RRYCDIBSNODLFW-QGZVFWFLSA-N 1 0 364.534 2.150 20 30 FEEDRO C[C@@H]1C[C@@H](NC(=O)NC2CCN(C(=O)c3ccccc3)CC2)CC[N@@H+]1C ZINC000329778509 554003920 /nfs/dbraw/zinc/00/39/20/554003920.db2.gz QDLGWSXFUOCOML-QAPCUYQASA-N 1 0 358.486 2.278 20 30 FEEDRO C[C@@H]1C[C@H](NC(=O)N2CCN(C(=O)CCC3CCCC3)CC2)CC[N@@H+]1C ZINC000329792485 554007036 /nfs/dbraw/zinc/00/70/36/554007036.db2.gz AFBWWXLVIOARFX-SJLPKXTDSA-N 1 0 364.534 2.498 20 30 FEEDRO N#CCSCC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000507209514 561721436 /nfs/dbraw/zinc/72/14/36/561721436.db2.gz KJIHINVFIGLBOP-GOSISDBHSA-N 1 0 373.522 2.288 20 30 FEEDRO Cc1ccc(NC(=O)[C@H](NCCn2cnc(C#N)n2)c2ccccc2)cc1 ZINC000507218286 561721526 /nfs/dbraw/zinc/72/15/26/561721526.db2.gz ZZUFBLSBTXWRIK-LJQANCHMSA-N 1 0 360.421 2.428 20 30 FEEDRO CN1CCC(CNC(=O)NCc2ccc(O)cc2)([NH+]2CCCCC2)CC1 ZINC000329850875 554018895 /nfs/dbraw/zinc/01/88/95/554018895.db2.gz ZZKRITCFRHVKTI-UHFFFAOYSA-N 1 0 360.502 2.346 20 30 FEEDRO CCO[C@H](CC[NH+](C)C)CNC(=O)c1cc(C)n(-c2cccc(C#N)c2)n1 ZINC000507313307 561724725 /nfs/dbraw/zinc/72/47/25/561724725.db2.gz MFRBEBOUHZMCFQ-GOSISDBHSA-N 1 0 369.469 2.139 20 30 FEEDRO CC[NH+]1CCN(c2cccc(NC(=O)N3CCC[C@H](C)[C@H]3CO)c2)CC1 ZINC000329915168 554030933 /nfs/dbraw/zinc/03/09/33/554030933.db2.gz CWVJEWGVZPNJOT-QFBILLFUSA-N 1 0 360.502 2.467 20 30 FEEDRO CC[NH+]1CCN(c2cccc(NC(=O)N3CCC[C@@H](C)[C@@H]3CO)c2)CC1 ZINC000329915166 554031238 /nfs/dbraw/zinc/03/12/38/554031238.db2.gz CWVJEWGVZPNJOT-APWZRJJASA-N 1 0 360.502 2.467 20 30 FEEDRO C[C@H](CNC(=O)N1C[C@@]2(CCOC2)OC(C)(C)C1)[NH+]1CCC(C)CC1 ZINC000329938725 554035373 /nfs/dbraw/zinc/03/53/73/554035373.db2.gz ANGGCNGEPFZBRY-VQIMIIECSA-N 1 0 353.507 2.291 20 30 FEEDRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N[C@@H]2CC[S@](=O)C2)C1 ZINC000330036730 554052964 /nfs/dbraw/zinc/05/29/64/554052964.db2.gz YMNFHOYUFKLKGN-JTJQLJSMSA-N 1 0 363.527 2.443 20 30 FEEDRO C[C@H](CNC(=O)N1CCC(O[C@@H]2CCOC2)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000330043309 554054048 /nfs/dbraw/zinc/05/40/48/554054048.db2.gz AEENAESOAFCXIG-JFIYKMOQSA-N 1 0 353.507 2.291 20 30 FEEDRO O=C(NC1CC[NH+](CC2CC2)CC1)N1CCC(O[C@@H]2CCOC2)CC1 ZINC000330056697 554056422 /nfs/dbraw/zinc/05/64/22/554056422.db2.gz WHCLEGXYPOAGQZ-GOSISDBHSA-N 1 0 351.491 2.045 20 30 FEEDRO CC(=O)N1CCc2cc(NC(=O)NC[C@@]3([NH+](C)C)CCSC3)ccc21 ZINC000330088498 554062490 /nfs/dbraw/zinc/06/24/90/554062490.db2.gz UTNKYQWOGNAGFT-SFHVURJKSA-N 1 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Cc1ccc(NC(=O)N2CC[NH+](CC3CC3)CC2)cc1N1CCNC1=O ZINC000330211967 554086247 /nfs/dbraw/zinc/08/62/47/554086247.db2.gz JSDHNLFJSRUNGJ-UHFFFAOYSA-N 1 0 357.458 2.302 20 30 FEEDRO O=C(NCC1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CC2)CC1)c1ccccn1 ZINC000330241251 554091494 /nfs/dbraw/zinc/09/14/94/554091494.db2.gz WDFJSEZOLCLPTO-SFHVURJKSA-N 1 0 356.470 2.252 20 30 FEEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCC(=O)NCC1CC1 ZINC000507816785 561742041 /nfs/dbraw/zinc/74/20/41/561742041.db2.gz XZENPAJNLSKNNV-UHFFFAOYSA-N 1 0 363.531 2.111 20 30 FEEDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NCCOC1CCCCC1 ZINC000330270659 554097213 /nfs/dbraw/zinc/09/72/13/554097213.db2.gz UPATVZRVNPOGQO-MRXNPFEDSA-N 1 0 353.507 2.435 20 30 FEEDRO CN(CC1(O)CCCCCC1)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000330277139 554097705 /nfs/dbraw/zinc/09/77/05/554097705.db2.gz NVSYZPCWXSWWHV-QZTJIDSGSA-N 1 0 367.534 2.295 20 30 FEEDRO Cn1cncc1[C@@H]1C[C@H](NC(=O)NC2CC[NH+](CC3CC3)CC2)CCO1 ZINC000330281971 554099071 /nfs/dbraw/zinc/09/90/71/554099071.db2.gz AHVQWXBNUZUTEF-AEFFLSMTSA-N 1 0 361.490 2.018 20 30 FEEDRO CCN1C(=O)CC[C@@H](C(=O)NC2CC[NH+](CC)CC2)[C@H]1c1cnn(C)c1 ZINC000330290642 554100185 /nfs/dbraw/zinc/10/01/85/554100185.db2.gz FZFZPNKZQSMKTN-SJLPKXTDSA-N 1 0 361.490 2.161 20 30 FEEDRO C[C@@H]1C[NH+](CC2CCN(C(=O)N[C@@H]3CCOC[C@@H]3C)CC2)C[C@@H](C)O1 ZINC000330321224 554105041 /nfs/dbraw/zinc/10/50/41/554105041.db2.gz FTJMZKANFRISTG-BVIKNXMNSA-N 1 0 353.507 2.147 20 30 FEEDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@H]1CCO[C@@H]1c1cnn(C)c1C ZINC000330337546 554107400 /nfs/dbraw/zinc/10/74/00/554107400.db2.gz UDABUAJPJQIQER-BPQIPLTHSA-N 1 0 363.506 2.327 20 30 FEEDRO C[NH+](C)C1(CNC(=O)N2CC[C@H](O)C23CCCC3)Cc2ccccc2C1 ZINC000330353267 554110680 /nfs/dbraw/zinc/11/06/80/554110680.db2.gz OGNYFGAVOXFUSE-SFHVURJKSA-N 1 0 357.498 2.379 20 30 FEEDRO CC(C)CC(=O)N1CCC(NC(=O)N[C@H](C)C[NH+]2CCCCC2)CC1 ZINC000330452463 554123079 /nfs/dbraw/zinc/12/30/79/554123079.db2.gz AVXIFENKNKJVDR-MRXNPFEDSA-N 1 0 352.523 2.402 20 30 FEEDRO CC(C)Cn1ncc(NC(=O)NCC2(O)CC[NH+](C)CC2)c1C(F)F ZINC000330503342 554130420 /nfs/dbraw/zinc/13/04/20/554130420.db2.gz ZADZHKPETLPTII-UHFFFAOYSA-N 1 0 359.421 2.259 20 30 FEEDRO COc1c(NC(=O)NC2CC[NH+](C)CC2)cc(Cl)cc1C(=O)N(C)C ZINC000330556133 554138068 /nfs/dbraw/zinc/13/80/68/554138068.db2.gz FMSXREMUALMNGW-UHFFFAOYSA-N 1 0 368.865 2.471 20 30 FEEDRO CS[C@H]1CN(C(=O)Nc2cc(NC(C)=O)ccc2F)C[C@H]1[NH+](C)C ZINC000330725894 554163709 /nfs/dbraw/zinc/16/37/09/554163709.db2.gz ZTQLTGGMCTXSQH-CABCVRRESA-N 1 0 354.451 2.307 20 30 FEEDRO Cc1ccc(NC(=O)N[C@H](C)C2=CC[N@H+](C)CC2)cc1S(C)(=O)=O ZINC000330785716 554170916 /nfs/dbraw/zinc/17/09/16/554170916.db2.gz LZMGMTMZTXCFTQ-CYBMUJFWSA-N 1 0 351.472 2.375 20 30 FEEDRO Cc1ccc(NC(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)cc1S(C)(=O)=O ZINC000330785717 554171081 /nfs/dbraw/zinc/17/10/81/554171081.db2.gz LZMGMTMZTXCFTQ-ZDUSSCGKSA-N 1 0 351.472 2.375 20 30 FEEDRO COc1ccc(NC(=O)NC[C@H]2C[N@H+](C)CCN2C)c(Br)c1 ZINC000330839981 554177901 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ZINC000331627989 554297942 /nfs/dbraw/zinc/29/79/42/554297942.db2.gz RJVXJDBQPZYEIO-IEBWSBKVSA-N 1 0 369.513 2.278 20 30 FEEDRO CC[N@H+](CCC1CCN(S(=O)(=O)N(C)[C@H](C)CC#N)CC1)CC1CC1 ZINC000509202709 561789741 /nfs/dbraw/zinc/78/97/41/561789741.db2.gz LFRJOTYYIFOZLJ-MRXNPFEDSA-N 1 0 370.563 2.299 20 30 FEEDRO C[C@H]1C[NH+](CC2CCN(C(=O)CNc3ccc(C#N)cc3)CC2)C[C@H](C)O1 ZINC000331925788 554347288 /nfs/dbraw/zinc/34/72/88/554347288.db2.gz DCMKFOHLZIDKFG-IRXDYDNUSA-N 1 0 370.497 2.318 20 30 FEEDRO CC(C)[C@@H]1CCc2c(C#N)c(NC(=O)C(=O)N3CC[NH2+][C@H](C)C3)sc2C1 ZINC000332333352 554427171 /nfs/dbraw/zinc/42/71/71/554427171.db2.gz LTJOBIFOSPMUGN-CHWSQXEVSA-N 1 0 374.510 2.139 20 30 FEEDRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000332546584 554468943 /nfs/dbraw/zinc/46/89/43/554468943.db2.gz NGKKLUFOQBSRJV-BBRMVZONSA-N 1 0 361.877 2.041 20 30 FEEDRO C[C@@H](C#N)S(=O)(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)cc1 ZINC000510812989 561847103 /nfs/dbraw/zinc/84/71/03/561847103.db2.gz KTPPADGNFFGHJN-AWEZNQCLSA-N 1 0 355.891 2.480 20 30 FEEDRO C[C@@H](NC(=O)N1CCCN(c2ccccc2C#N)CC1)[C@@H]1CCC[NH2+]C1 ZINC000333644734 554630366 /nfs/dbraw/zinc/63/03/66/554630366.db2.gz IVXPMBSZVWMAEP-SJLPKXTDSA-N 1 0 355.486 2.168 20 30 FEEDRO C=CC[C@H](C(=O)N1CC[NH+]([C@H]2CCNC(=O)CC2)CC1)c1ccccc1 ZINC000333730696 554637510 /nfs/dbraw/zinc/63/75/10/554637510.db2.gz JUZYMEGTFOUNTD-MOPGFXCFSA-N 1 0 355.482 2.159 20 30 FEEDRO N#Cc1ccccc1N1CCCN(C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000333904016 554654529 /nfs/dbraw/zinc/65/45/29/554654529.db2.gz JJAOJGIJIKGJGW-CEXWTWQISA-N 1 0 367.497 2.168 20 30 FEEDRO COc1cc(NC(=O)CC[NH+]2CCC(F)(C#N)CC2)cc(OC)c1OC ZINC000510937762 561851575 /nfs/dbraw/zinc/85/15/75/561851575.db2.gz PUFUKLIUBYSBPP-UHFFFAOYSA-N 1 0 365.405 2.369 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N2CC[C@@]3(C2)CC(=O)c2ccccc2O3)CC1 ZINC000334051987 554673084 /nfs/dbraw/zinc/67/30/84/554673084.db2.gz SMBHNFAVBHEYGP-NRFANRHFSA-N 1 0 369.465 2.456 20 30 FEEDRO C=CCOc1ccc(C[NH2+]C[C@@H]2CCC[C@@]23NC(=O)N(C)C3=O)cc1OC ZINC000360021275 554859871 /nfs/dbraw/zinc/85/98/71/554859871.db2.gz NFEPLRFOXMSTDY-MGPUTAFESA-N 1 0 373.453 2.070 20 30 FEEDRO CN(C(=O)c1ccc(C2(C#N)CC2)cc1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000360617761 554882184 /nfs/dbraw/zinc/88/21/84/554882184.db2.gz IJKRUCCUTXEQFS-FQEVSTJZSA-N 1 0 366.509 2.482 20 30 FEEDRO CCN(CCC#N)C(=O)CN1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000361038200 554901986 /nfs/dbraw/zinc/90/19/86/554901986.db2.gz YZMYTWSBCWDNTB-UXHICEINSA-N 1 0 354.498 2.487 20 30 FEEDRO CCN1C(=O)N=NC1C1CC[NH+](CCOc2ccc(C#N)cc2OC)CC1 ZINC000362728765 554984707 /nfs/dbraw/zinc/98/47/07/554984707.db2.gz VZIZWBQTMAFWIF-UHFFFAOYSA-N 1 0 371.441 2.142 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@@H]2Cn2nc(C)nc2C)CC1 ZINC000362742011 554985928 /nfs/dbraw/zinc/98/59/28/554985928.db2.gz QIHRUXBAAORYEB-GOSISDBHSA-N 1 0 360.506 2.109 20 30 FEEDRO C[C@H]1CC(=O)NCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000363150043 555040729 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2.280 20 30 FEEDRO C[N@@H+]1CC[C@H](CNC(=O)N=c2ccn(CCC#N)[nH]2)[C@@H]1c1cccs1 ZINC000365645500 555630700 /nfs/dbraw/zinc/63/07/00/555630700.db2.gz CIVLKJOABPGLJI-CZUORRHYSA-N 1 0 358.471 2.673 20 30 FEEDRO C[N@@H+]1C[C@@H]2CN(C(=O)C(=O)Nc3ccc(C#N)cc3)C[C@@H]2[C@H]1c1ccccc1 ZINC000365689703 555641428 /nfs/dbraw/zinc/64/14/28/555641428.db2.gz AUWJWNVKSBTJBV-YZGWKJHDSA-N 1 0 374.444 2.258 20 30 FEEDRO C[N@@H+]1C[C@@H]2CN(C(=O)C(=O)Nc3ccc(C#N)cc3)C[C@H]2[C@H]1c1ccccc1 ZINC000365689701 555641499 /nfs/dbraw/zinc/64/14/99/555641499.db2.gz AUWJWNVKSBTJBV-MISYRCLQSA-N 1 0 374.444 2.258 20 30 FEEDRO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCC[C@@H](C(=O)Nc2ncccc2C)C1 ZINC000365792710 555668752 /nfs/dbraw/zinc/66/87/52/555668752.db2.gz PDDRGGYYGHCMDM-DOTOQJQBSA-N 1 0 371.485 2.049 20 30 FEEDRO CN(CCC#N)C(=O)CC[NH+]1CCC(Oc2cnc3ccccc3n2)CC1 ZINC000365852517 555683515 /nfs/dbraw/zinc/68/35/15/555683515.db2.gz KJHJSIDJBWGFCI-UHFFFAOYSA-N 1 0 367.453 2.235 20 30 FEEDRO C[C@H]([NH2+][C@@H]1CCN(CCN2CCOCC2)C1)c1ccc(C#N)cc1Cl ZINC000366013879 555727499 /nfs/dbraw/zinc/72/74/99/555727499.db2.gz YNCDNSXYRWUETR-DOTOQJQBSA-N 1 0 362.905 2.269 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N2C[C@H](CC)O[C@@]3(CCCOC3)C2)CC1 ZINC000366303421 555806417 /nfs/dbraw/zinc/80/64/17/555806417.db2.gz GGRZDYWGLHEVEN-HKUYNNGSSA-N 1 0 351.491 2.006 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N2CC(C)(C)O[C@@]3(CCCOC3)C2)CC1 ZINC000366581600 555882562 /nfs/dbraw/zinc/88/25/62/555882562.db2.gz ZTPFVTWYHIJKHF-IBGZPJMESA-N 1 0 351.491 2.006 20 30 FEEDRO CN1C(=O)C[C@@H]([NH2+]CC(=O)Nc2ccc(C#N)cc2)[C@@H]1c1ccc(F)cc1 ZINC000366808580 555939404 /nfs/dbraw/zinc/93/94/04/555939404.db2.gz JKXRETALVGQKDP-XLIONFOSSA-N 1 0 366.396 2.197 20 30 FEEDRO C[C@]1(CNC(=O)N=c2ccn(CCC#N)[nH]2)CC[N@H+](Cc2ccccc2)C1 ZINC000366878950 555958812 /nfs/dbraw/zinc/95/88/12/555958812.db2.gz GCGVMPOGTFIRID-HXUWFJFHSA-N 1 0 366.469 2.830 20 30 FEEDRO N#CC1(CCC[N@H+]2CCC[C@H]2C(=O)NCC2CCOCC2)CCOCC1 ZINC000367085627 556001175 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FEEDRO N#C[C@@H]1CN(C(=O)NCc2ccccc2C[NH+]2CCCC2)CCN1C1CC1 ZINC000369232684 556543367 /nfs/dbraw/zinc/54/33/67/556543367.db2.gz XDKBGIBITPYPQD-HXUWFJFHSA-N 1 0 367.497 2.164 20 30 FEEDRO COC[C@H]1CCCCN(CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1 ZINC000369260472 556554009 /nfs/dbraw/zinc/55/40/09/556554009.db2.gz VZMKKOVFPPSDTC-INIZCTEOSA-N 1 0 367.453 2.431 20 30 FEEDRO COc1ccc([C@@H]2[C@H](CNC(=O)N3CCO[C@@H](C#N)C3)CCC[N@@H+]2C)cc1 ZINC000369399113 556590744 /nfs/dbraw/zinc/59/07/44/556590744.db2.gz ADZMNSFIFGGZBI-YTQUADARSA-N 1 0 372.469 2.012 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)[C@@H]2CCN(c3ccc(C)c(C)c3)C2=O)CC1 ZINC000369589803 556640484 /nfs/dbraw/zinc/64/04/84/556640484.db2.gz ABGYOPQYHLYWBY-FQEVSTJZSA-N 1 0 367.493 2.260 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)[C@H]2COc3ccc(OCC)cc3C2)CC1 ZINC000369591246 556641215 /nfs/dbraw/zinc/64/12/15/556641215.db2.gz KBTZKIUUHAQIQC-QGZVFWFLSA-N 1 0 356.466 2.240 20 30 FEEDRO C#CC[C@@H](NC(=O)N=c1ccn(C2CC[NH+](C)CC2)[nH]1)c1ccccc1 ZINC000369698152 556672084 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FEEDRO C=CCN1CC(=O)N([C@@H]2CC[N@H+](C3CC3)[C@@H]2c2cccc(OC)c2)C1=O ZINC000370445431 556875550 /nfs/dbraw/zinc/87/55/50/556875550.db2.gz UUBCVVMZDZZPHI-IEBWSBKVSA-N 1 0 355.438 2.423 20 30 FEEDRO N#Cc1ccc(N2CCC[C@H]([N@H+]3CCCC[C@@H]3[C@H]3CNC(=O)C3)C2=O)cc1 ZINC000370500030 556891435 /nfs/dbraw/zinc/89/14/35/556891435.db2.gz OSLGEHCLLHFWTF-QRQLOZEOSA-N 1 0 366.465 2.044 20 30 FEEDRO C[C@H]1CN(C(=O)/C=C/c2cccc(C#N)c2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000371353506 557157699 /nfs/dbraw/zinc/15/76/99/557157699.db2.gz IZCDGGGBDVNLFJ-UEALOQRBSA-N 1 0 352.482 2.056 20 30 FEEDRO C=CCOc1ccc(CN2CCCN(C(=O)[C@H]3CCCO3)CC2)cc1OC ZINC000371404684 557175059 /nfs/dbraw/zinc/17/50/59/557175059.db2.gz SLAJMCDELYEVMX-LJQANCHMSA-N 1 0 374.481 2.473 20 30 FEEDRO CC(=O)N1CCC[N@H+](C[C@H]2CCCN(c3cc(C)ncc3C#N)C2)CC1 ZINC000518364481 562109758 /nfs/dbraw/zinc/10/97/58/562109758.db2.gz ZIHMNVQCMOLHJY-GOSISDBHSA-N 1 0 355.486 2.032 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2C[C@@H](OCC)[C@]23CCCO3)CC1 ZINC000371937460 557333628 /nfs/dbraw/zinc/33/36/28/557333628.db2.gz LLUYELRHUQGFSM-LMMKCTJWSA-N 1 0 351.491 2.053 20 30 FEEDRO CC[N@@H+]1CCC[C@@H](NC(=O)Nc2cc(C)n(-c3cccc(C#N)c3)n2)C1 ZINC000372370977 557452537 /nfs/dbraw/zinc/45/25/37/557452537.db2.gz VDFQLVOUFOCJIX-MRXNPFEDSA-N 1 0 352.442 2.658 20 30 FEEDRO CC(C)NC(=O)CN1CCC[N@H+](Cc2cccc(OCCCC#N)c2)CC1 ZINC000372391449 557458891 /nfs/dbraw/zinc/45/88/91/557458891.db2.gz JMOWEJOANWUPAN-UHFFFAOYSA-N 1 0 372.513 2.401 20 30 FEEDRO CC(C)C[N@@H+]1CCCN(C(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)CC1 ZINC000372639465 557527365 /nfs/dbraw/zinc/52/73/65/557527365.db2.gz NAFOJCZEXKKPBI-UHFFFAOYSA-N 1 0 362.861 2.340 20 30 FEEDRO C=CCCCCCNC(=O)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000519556022 562134722 /nfs/dbraw/zinc/13/47/22/562134722.db2.gz PKKBAEXZFLHUIU-IAGOWNOFSA-N 1 0 350.507 2.023 20 30 FEEDRO N#Cc1cccc(CNC(=O)CN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000372728952 557548404 /nfs/dbraw/zinc/54/84/04/557548404.db2.gz JZAGAZPNEVRTEM-ICSRJNTNSA-N 1 0 352.482 2.123 20 30 FEEDRO COc1ccc(C#N)cc1CN1CCCN(C(=O)c2ccccn2)CC1 ZINC000372768329 557558710 /nfs/dbraw/zinc/55/87/10/557558710.db2.gz SXNGEBZWQSCNBM-UHFFFAOYSA-N 1 0 350.422 2.310 20 30 FEEDRO C[NH+](C)C[C@H]1CN(C(=O)Cc2ccc(OCC#N)cc2)c2ccccc2O1 ZINC000372788076 557562479 /nfs/dbraw/zinc/56/24/79/557562479.db2.gz ZVSUELXWFAXIOU-SFHVURJKSA-N 1 0 365.433 2.487 20 30 FEEDRO CN(C)C(=O)COc1cccc(C[NH2+][C@@H]2CCC[C@@H]3O[C@H](CC#N)C[C@H]32)c1 ZINC000373222593 557653235 /nfs/dbraw/zinc/65/32/35/557653235.db2.gz CZYDHEKTDIMDLZ-WCIQWLHISA-N 1 0 371.481 2.483 20 30 FEEDRO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+]1CC[C@](O)(C2CC2)C1 ZINC000373240169 557656197 /nfs/dbraw/zinc/65/61/97/557656197.db2.gz CDTOSONFVBHYDP-FOIQADDNSA-N 1 0 357.454 2.177 20 30 FEEDRO C[NH+]1CCC(n2ccc(=NC(=O)C(C)(C)Oc3ccc(C#N)cc3)[nH]2)CC1 ZINC000373276129 557663536 /nfs/dbraw/zinc/66/35/36/557663536.db2.gz AYYMZHMCLLYEQJ-UHFFFAOYSA-N 1 0 367.453 2.818 20 30 FEEDRO CC[C@H](C(=O)Nc1ccc(OC)cc1)[NH+]1CCC(n2cnc(C#N)n2)CC1 ZINC000373402814 557687712 /nfs/dbraw/zinc/68/77/12/557687712.db2.gz DIWOVVSWIMNTND-QGZVFWFLSA-N 1 0 368.441 2.213 20 30 FEEDRO Cn1cc(C[NH+]2CCC(n3cnc(C#N)n3)CC2)c(-c2cccs2)n1 ZINC000373488116 557702970 /nfs/dbraw/zinc/70/29/70/557702970.db2.gz FOYNSTQAKVCGIX-UHFFFAOYSA-N 1 0 353.455 2.449 20 30 FEEDRO CCOC(=O)C1(NC(=O)C[C@@H](CC#N)c2ccccc2)CC[NH+](C)CC1 ZINC000373536240 557713146 /nfs/dbraw/zinc/71/31/46/557713146.db2.gz HQGVKAJJNFEHGV-QGZVFWFLSA-N 1 0 357.454 2.218 20 30 FEEDRO C=CCN(C[C@H](O)CO[C@@H](C)COC)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000373910586 557785115 /nfs/dbraw/zinc/78/51/15/557785115.db2.gz ZYUMZEGANJVHJY-JBACZVJFSA-N 1 0 362.514 2.161 20 30 FEEDRO COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@@H](C)[N@@H+]2CCCC2(C#N)CCOCC2)O1 ZINC000374558631 557899638 /nfs/dbraw/zinc/89/96/38/557899638.db2.gz ALJCHRJERMCZSR-NCOADZHNSA-N 1 0 350.459 2.270 20 30 FEEDRO CCCCN(C1CC(C)(C)[NH2+]C(C)(C)C1)S(=O)(=O)N(C)CCC#N ZINC000521244068 562172826 /nfs/dbraw/zinc/17/28/26/562172826.db2.gz KDXUPTAHZPZSRS-UHFFFAOYSA-N 1 0 358.552 2.488 20 30 FEEDRO N#Cc1ccc2ncc(CN3CCC[C@@H](CNC(=O)c4ccco4)C3)n2c1 ZINC000375028228 557966600 /nfs/dbraw/zinc/96/66/00/557966600.db2.gz VWPPTHSCKHMOPW-INIZCTEOSA-N 1 0 363.421 2.441 20 30 FEEDRO N#Cc1ccc2ncc(CN3CCC[C@H](CNC(=O)c4ccco4)C3)n2c1 ZINC000375028230 557966626 /nfs/dbraw/zinc/96/66/26/557966626.db2.gz VWPPTHSCKHMOPW-MRXNPFEDSA-N 1 0 363.421 2.441 20 30 FEEDRO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCCNC(=O)[C@H]1CC(C)C ZINC000521279085 562173441 /nfs/dbraw/zinc/17/34/41/562173441.db2.gz YQXYARROKKGEGD-RBUKOAKNSA-N 1 0 360.498 2.391 20 30 FEEDRO Cn1nccc1[C@@H]1NC(=O)CC[C@H]1[NH2+]Cc1ccc(F)c(C#N)c1Cl ZINC000375266441 558001495 /nfs/dbraw/zinc/00/14/95/558001495.db2.gz LRLCCPYMCRAMBD-CXAGYDPISA-N 1 0 361.808 2.194 20 30 FEEDRO C=CCOc1ccc(C[N@@H+]2C[C@@H](C(N)=O)[C@H](C(F)(F)F)C2)cc1OC ZINC000375384597 558018818 /nfs/dbraw/zinc/01/88/18/558018818.db2.gz OZFJCHJCGQRYFG-CHWSQXEVSA-N 1 0 358.360 2.356 20 30 FEEDRO C[C@H](CO)[N@@H+]1CCCN(Cc2cccn2Cc2ccccc2C#N)CC1 ZINC000375487937 558036244 /nfs/dbraw/zinc/03/62/44/558036244.db2.gz YGJHDJPFNJDQBF-GOSISDBHSA-N 1 0 352.482 2.297 20 30 FEEDRO N#Cc1ccc(N2CCC[C@H]([N@@H+]3CCCC[C@@H]3Cn3ccnn3)C2=O)cc1 ZINC000375692288 558068502 /nfs/dbraw/zinc/06/85/02/558068502.db2.gz OTLZIJKXTPEAEI-MOPGFXCFSA-N 1 0 364.453 2.200 20 30 FEEDRO N#Cc1ccccc1N1CCC(CNC(=O)NCC[N@H+]2CC=CCC2)CC1 ZINC000375694647 558068770 /nfs/dbraw/zinc/06/87/70/558068770.db2.gz YNUVKRKSBHQMLY-UHFFFAOYSA-N 1 0 367.497 2.336 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+]C[C@@H]2SCCc3ccccc32)nc1 ZINC000521612193 562180085 /nfs/dbraw/zinc/18/00/85/562180085.db2.gz KQWYMMXVDXTLME-KRWDZBQOSA-N 1 0 373.503 2.347 20 30 FEEDRO CN(CCC#N)C(=O)CCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000376282492 558151773 /nfs/dbraw/zinc/15/17/73/558151773.db2.gz AQAJBTVDRKOGPL-UXHICEINSA-N 1 0 354.498 2.487 20 30 FEEDRO Cn1cc([C@H]2[C@@H](CNC(=O)NCC(C)(C)CCC#N)CCC[N@@H+]2C)cn1 ZINC000376672400 558206211 /nfs/dbraw/zinc/20/62/11/558206211.db2.gz MOGHNDKKDZVHBS-NVXWUHKLSA-N 1 0 360.506 2.432 20 30 FEEDRO C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000377239774 558296246 /nfs/dbraw/zinc/29/62/46/558296246.db2.gz RJXOZAWZLVHPFM-SFTDATJTSA-N 1 0 368.525 2.042 20 30 FEEDRO C=CCN(C(=O)NCC[C@H]1CCC(=O)N1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000377265186 558301566 /nfs/dbraw/zinc/30/15/66/558301566.db2.gz LVCOKKRBOJPTTM-RTBURBONSA-N 1 0 370.497 2.127 20 30 FEEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CC[C@@H](CC(N)=O)C2)c1 ZINC000377490135 558350083 /nfs/dbraw/zinc/35/00/83/558350083.db2.gz KQOOTEAOBSILOR-IRXDYDNUSA-N 1 0 356.470 2.136 20 30 FEEDRO COc1cc(C[N@@H+]2CCCC[C@@H]2COC(=O)N[C@H]2CCOC2)ccc1C#N ZINC000377690387 558398002 /nfs/dbraw/zinc/39/80/02/558398002.db2.gz GGVSPNPTAVEVKW-ZWKOTPCHSA-N 1 0 373.453 2.436 20 30 FEEDRO C[NH+](C)C[C@H]1CN(CC(=O)NC2(C#N)CCCCC2)c2ccccc2O1 ZINC000378157280 558492875 /nfs/dbraw/zinc/49/28/75/558492875.db2.gz FRCMESRLGQWIIP-INIZCTEOSA-N 1 0 356.470 2.158 20 30 FEEDRO Cc1c(C#N)cccc1NC(=O)C(=O)N1CCC([N@H+]2CCC[C@H]2C)CC1 ZINC000378207439 558502868 /nfs/dbraw/zinc/50/28/68/558502868.db2.gz RHTWYOIJWARQSF-CQSZACIVSA-N 1 0 354.454 2.281 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]2[C@H](O)c2ccc(OC)cc2)CC1 ZINC000378255124 558512955 /nfs/dbraw/zinc/51/29/55/558512955.db2.gz WISIIAIFHLLNCF-WOJBJXKFSA-N 1 0 356.466 2.065 20 30 FEEDRO C=C(C)CN(CC)C(=O)[C@H](C)N1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000378296936 558523176 /nfs/dbraw/zinc/52/31/76/558523176.db2.gz ZZRBBSDNRVGLCX-QYWGDWMGSA-N 1 0 366.465 2.145 20 30 FEEDRO C[C@H]1CN(C(=O)Nc2ccc(CC#N)cc2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000378308721 558525839 /nfs/dbraw/zinc/52/58/39/558525839.db2.gz NRHKXJYWYDPFEN-LPHOPBHVSA-N 1 0 355.486 2.242 20 30 FEEDRO N#CCCN(C(=O)C[N@@H+]1CCC[C@@H](C(=O)N2CCCC2)C1)c1ccccc1 ZINC000523638955 562216434 /nfs/dbraw/zinc/21/64/34/562216434.db2.gz OWIZUUPQMGLHGR-GOSISDBHSA-N 1 0 368.481 2.268 20 30 FEEDRO Cn1cnc2cc(C(=O)NC3(C#N)CC[NH+](Cc4ccccc4)CC3)cnc21 ZINC000378537696 558577885 /nfs/dbraw/zinc/57/78/85/558577885.db2.gz KRVAANRNXOKYGY-UHFFFAOYSA-N 1 0 374.448 2.256 20 30 FEEDRO N#Cc1ccccc1N1CCC[C@@H]([NH2+]Cc2cn(Cc3cccnc3)nn2)C1 ZINC000378643977 558600172 /nfs/dbraw/zinc/60/01/72/558600172.db2.gz KMBSDVRFMCISGE-LJQANCHMSA-N 1 0 373.464 2.352 20 30 FEEDRO C[C@H](C[NH2+]C[C@H](O)COc1ccc(C#N)cc1)N(C)Cc1ccccc1 ZINC000390655009 558611435 /nfs/dbraw/zinc/61/14/35/558611435.db2.gz FXKKYPKFKZYNIK-XLIONFOSSA-N 1 0 353.466 2.408 20 30 FEEDRO C=C1CCN([C@H](C)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)CC1 ZINC000524564421 562230349 /nfs/dbraw/zinc/23/03/49/562230349.db2.gz VSNLMVNSHNPHAK-MRXNPFEDSA-N 1 0 354.454 2.463 20 30 FEEDRO C=CCNC(=O)NC(=O)CN(CC)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000524599482 562230960 /nfs/dbraw/zinc/23/09/60/562230960.db2.gz KJJPNUWDVYHCGE-SJLPKXTDSA-N 1 0 358.486 2.156 20 30 FEEDRO CC(C)C1CCC([NH+]2CCN(C(=O)[C@@H](C)n3cnc(C#N)n3)CC2)CC1 ZINC000409794193 558720570 /nfs/dbraw/zinc/72/05/70/558720570.db2.gz GAWRIZUASPJFQH-KLAILNCOSA-N 1 0 358.490 2.070 20 30 FEEDRO CCN(CCC#N)S(=O)(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000410137645 558741282 /nfs/dbraw/zinc/74/12/82/558741282.db2.gz NOZOMFMWPWSCCM-HNNXBMFYSA-N 1 0 352.504 2.186 20 30 FEEDRO COCCNC(=O)c1c[nH]nc1[C@@H]1CCC[N@H+](Cc2cc(C#N)cs2)C1 ZINC000410362478 558753218 /nfs/dbraw/zinc/75/32/18/558753218.db2.gz YIRWGRHVRNESNP-CQSZACIVSA-N 1 0 373.482 2.099 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C[C@@H]2CCCN(C(=O)NCC(C)C)C2)CC1 ZINC000524939862 562237858 /nfs/dbraw/zinc/23/78/58/562237858.db2.gz AHOUCLJCAQEDDP-KRWDZBQOSA-N 1 0 364.534 2.221 20 30 FEEDRO C=CCCCN(C)C(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(F)c1 ZINC000411266033 558863698 /nfs/dbraw/zinc/86/36/98/558863698.db2.gz ZDQCQMMCSYJAIP-UHFFFAOYSA-N 1 0 351.422 2.129 20 30 FEEDRO COC[C@](C)(CC(=O)OC)[NH2+]CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000411392554 558886427 /nfs/dbraw/zinc/88/64/27/558886427.db2.gz QEYBQXNKOQQZMG-KRWDZBQOSA-N 1 0 367.833 2.098 20 30 FEEDRO CC(C)OC[C@@H](CO)[N@H+](C)CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000411640354 558934028 /nfs/dbraw/zinc/93/40/28/558934028.db2.gz VQXZPZSLAQQBED-OAHLLOKOSA-N 1 0 353.850 2.258 20 30 FEEDRO N#Cc1c2c(sc1NC(=O)CC[NH2+]C1(CO)CCSCC1)CCC2 ZINC000411817031 558968948 /nfs/dbraw/zinc/96/89/48/558968948.db2.gz IRNNUWKMJMRXRO-UHFFFAOYSA-N 1 0 365.524 2.285 20 30 FEEDRO CC[C@@H]([NH2+]CC(=O)N1CCN(c2oc(C)nc2C#N)CC1)c1ccccc1 ZINC000411887054 558983126 /nfs/dbraw/zinc/98/31/26/558983126.db2.gz FRSLGJACBNOSJZ-QGZVFWFLSA-N 1 0 367.453 2.244 20 30 FEEDRO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@@](C(N)=O)(c2ccccc2)C1 ZINC000411973211 558998113 /nfs/dbraw/zinc/99/81/13/558998113.db2.gz WWGGFURWKNZKSG-VFNWGFHPSA-N 1 0 362.433 2.014 20 30 FEEDRO C=CCOC[C@H](NC(=O)c1cccc(C[NH+]2CCCCC2)c1)C(=O)OC ZINC000412303497 559026318 /nfs/dbraw/zinc/02/63/18/559026318.db2.gz FZQREQLMRJHZEO-SFHVURJKSA-N 1 0 360.454 2.147 20 30 FEEDRO C[NH+](C)CCOc1cnccc1CNC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 ZINC000412343457 559029300 /nfs/dbraw/zinc/02/93/00/559029300.db2.gz CRKGKFAGKCXNLB-RBUKOAKNSA-N 1 0 364.449 2.314 20 30 FEEDRO COc1cc(OCC[NH+](C)C)ccc1NC(=O)c1ccc(C#N)c(C)n1 ZINC000412562886 559043511 /nfs/dbraw/zinc/04/35/11/559043511.db2.gz JKZCMWJRLXEVML-UHFFFAOYSA-N 1 0 354.410 2.463 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1OCC ZINC000412679503 559050303 /nfs/dbraw/zinc/05/03/03/559050303.db2.gz WZOXLLPMMKVFKX-YSTOQKLRSA-N 1 0 358.482 2.231 20 30 FEEDRO Cc1nccc(NC(=O)N(CCC#N)CCC[NH+](C)C)c1Br ZINC000526098269 562266952 /nfs/dbraw/zinc/26/69/52/562266952.db2.gz MHGJLZNPXDSPJD-UHFFFAOYSA-N 1 0 368.279 2.274 20 30 FEEDRO C=CC[C@@H](Cc1ccccc1)NC(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000413106259 559078486 /nfs/dbraw/zinc/07/84/86/559078486.db2.gz ZVXOHBOBOLAXTK-FQEVSTJZSA-N 1 0 358.530 2.499 20 30 FEEDRO C[NH+](C)[C@H]1CCC[C@@H]1NS(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000414467279 559166421 /nfs/dbraw/zinc/16/64/21/559166421.db2.gz YALSYIBVMKVHOW-KBPBESRZSA-N 1 0 372.288 2.082 20 30 FEEDRO C[NH2+][C@@H](C)Cc1noc(COc2cccc(Br)c2C#N)n1 ZINC000414654768 559177315 /nfs/dbraw/zinc/17/73/15/559177315.db2.gz YWCHOQKTYMLCIE-VIFPVBQESA-N 1 0 351.204 2.433 20 30 FEEDRO C=CCN(Cc1ccccc1)C(=O)C(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2 ZINC000414729160 559182681 /nfs/dbraw/zinc/18/26/81/559182681.db2.gz CJKFIKGKDFYUIZ-KRWDZBQOSA-N 1 0 364.449 2.051 20 30 FEEDRO C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NC(C)(C)CCC[NH3+])cc1 ZINC000414902858 559194228 /nfs/dbraw/zinc/19/42/28/559194228.db2.gz YQFWQCZHSLATIF-UHFFFAOYSA-N 1 0 368.503 2.132 20 30 FEEDRO N#Cc1ccc(Oc2ccc(NC(=O)NC[C@@H]3C[NH2+]CCO3)cc2)cc1 ZINC000415048881 559202299 /nfs/dbraw/zinc/20/22/99/559202299.db2.gz XOSTWHNHEAWFRJ-SFHVURJKSA-N 1 0 352.394 2.460 20 30 FEEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CCC(C[NH3+])CC1 ZINC000415300451 559222172 /nfs/dbraw/zinc/22/21/72/559222172.db2.gz KBJRHLWJNKWJIC-ZDUSSCGKSA-N 1 0 360.483 2.217 20 30 FEEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CCC(C[NH3+])CC1 ZINC000415300440 559222236 /nfs/dbraw/zinc/22/22/36/559222236.db2.gz KBJRHLWJNKWJIC-CYBMUJFWSA-N 1 0 360.483 2.217 20 30 FEEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000415353317 559226586 /nfs/dbraw/zinc/22/65/86/559226586.db2.gz LMAMZFFBSVKAAT-KFWWJZLASA-N 1 0 374.510 2.381 20 30 FEEDRO C[NH2+][C@@H]1CCCN(C(=O)C(=O)Nc2ccccc2S[C@H](C)CC#N)C1 ZINC000415375043 559228869 /nfs/dbraw/zinc/22/88/69/559228869.db2.gz LBZDGPHHFRQPLM-ZIAGYGMSSA-N 1 0 360.483 2.230 20 30 FEEDRO C[NH2+][C@@H]1CCCN(C(=O)C(=O)Nc2ccccc2SC[C@H](C)C#N)C1 ZINC000415380748 559229247 /nfs/dbraw/zinc/22/92/47/559229247.db2.gz SZLSBPXLSQNLFH-ZIAGYGMSSA-N 1 0 360.483 2.087 20 30 FEEDRO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)CC[NH2+]1 ZINC000415425823 559234801 /nfs/dbraw/zinc/23/48/01/559234801.db2.gz CVLVNMISXJNPPT-CQSZACIVSA-N 1 0 364.405 2.109 20 30 FEEDRO C[C@@H]1C[C@@H](NC(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)CC[NH2+]1 ZINC000415445506 559237765 /nfs/dbraw/zinc/23/77/65/559237765.db2.gz GUQRFRLSRKYPDC-RISCZKNCSA-N 1 0 358.833 2.659 20 30 FEEDRO CC1(C)C[NH2+]CC[C@H]1NC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 ZINC000415448418 559238349 /nfs/dbraw/zinc/23/83/49/559238349.db2.gz ICPLMFJOMXBDMD-OAHLLOKOSA-N 1 0 372.860 2.907 20 30 FEEDRO CC1(C)CN(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)CC[NH2+]1 ZINC000415461108 559239581 /nfs/dbraw/zinc/23/95/81/559239581.db2.gz NVDQBIDXPONIAF-UHFFFAOYSA-N 1 0 358.833 2.613 20 30 FEEDRO C[C@@H]1CCN(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)C[C@H]1C[NH3+] ZINC000415466672 559240143 /nfs/dbraw/zinc/24/01/43/559240143.db2.gz ULCFDZZJTPBVKX-TZMCWYRMSA-N 1 0 372.860 2.846 20 30 FEEDRO C[NH2+]CCC1CCN(C(=O)Nc2cc(C#N)ccc2OCCOC)CC1 ZINC000415466146 559240239 /nfs/dbraw/zinc/24/02/39/559240239.db2.gz QWZWWOQZPGNRTQ-UHFFFAOYSA-N 1 0 360.458 2.437 20 30 FEEDRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000415492912 559243044 /nfs/dbraw/zinc/24/30/44/559243044.db2.gz LRNAECZLXFMZPF-KBPBESRZSA-N 1 0 360.483 2.087 20 30 FEEDRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)Nc1sc(C(C)(C)C)cc1C#N ZINC000415494374 559243172 /nfs/dbraw/zinc/24/31/72/559243172.db2.gz IDSBOOZYOQUNFE-LBPRGKRZSA-N 1 0 350.488 2.489 20 30 FEEDRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)Nc1cccc(C#Cc2ccccn2)c1 ZINC000415506658 559244781 /nfs/dbraw/zinc/24/47/81/559244781.db2.gz SXQNPTZTYHCOAY-IBGZPJMESA-N 1 0 364.449 2.054 20 30 FEEDRO CC(C)[C@@H]1CCc2c(C#N)c(NC(=O)C(=O)NC[C@H]([NH3+])C3CC3)sc2C1 ZINC000415537095 559247678 /nfs/dbraw/zinc/24/76/78/559247678.db2.gz GMILJJVMXLMNBG-DOMZBBRYSA-N 1 0 374.510 2.173 20 30 FEEDRO CC(C)(C#N)c1ccc(NC(=O)C(=O)Nc2ccc(OCC[NH3+])cc2)cc1 ZINC000415553137 559249075 /nfs/dbraw/zinc/24/90/75/559249075.db2.gz BUAAPGFIEBHMIL-UHFFFAOYSA-N 1 0 366.421 2.402 20 30 FEEDRO C[C@H](C[NH3+])NC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N ZINC000415592785 559253588 /nfs/dbraw/zinc/25/35/88/559253588.db2.gz CPTAVDLCTKZDNR-SECBINFHSA-N 1 0 374.388 2.113 20 30 FEEDRO C[C@H](CCCC[NH3+])NC(=O)Nc1ccc(S(=O)(=O)[C@H](C)C#N)cc1 ZINC000415604256 559254622 /nfs/dbraw/zinc/25/46/22/559254622.db2.gz VKYUVRLQYZUVOP-CHWSQXEVSA-N 1 0 352.460 2.011 20 30 FEEDRO C[C@H](CCCC[NH3+])NC(=O)C(=O)Nc1scc(C(C)(C)C)c1C#N ZINC000415740346 559266479 /nfs/dbraw/zinc/26/64/79/559266479.db2.gz INNRYNHDFXBCED-LLVKDONJSA-N 1 0 350.488 2.489 20 30 FEEDRO C[C@@H](CCCC[NH3+])NC(=O)C(=O)Nc1sc(C(C)(C)C)cc1C#N ZINC000415740095 559266500 /nfs/dbraw/zinc/26/65/00/559266500.db2.gz IAMFWBDIBOPXGR-NSHDSACASA-N 1 0 350.488 2.489 20 30 FEEDRO N#CCc1ccc(NC(=O)C(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)c(Cl)c1 ZINC000415768897 559269431 /nfs/dbraw/zinc/26/94/31/559269431.db2.gz WFLYAYDLUWHPMN-HNNXBMFYSA-N 1 0 374.872 2.193 20 30 FEEDRO C[C@H](C#N)S(=O)(=O)N(CC[NH+](C)C)Cc1cccc(C(F)(F)F)c1 ZINC000416394048 559309838 /nfs/dbraw/zinc/30/98/38/559309838.db2.gz UCYYWQJBZKVUBX-GFCCVEGCSA-N 1 0 363.405 2.311 20 30 FEEDRO CO[C@H]1CCN(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)[C@@H](C[NH3+])C1 ZINC000416953864 559340028 /nfs/dbraw/zinc/34/00/28/559340028.db2.gz VVNMBWMLVPSEMH-CVEARBPZSA-N 1 0 369.387 2.205 20 30 FEEDRO C[C@@H](CCCC[NH3+])NC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000417577939 559367466 /nfs/dbraw/zinc/36/74/66/559367466.db2.gz MYNVBIOAKKIZNP-GOEBONIOSA-N 1 0 361.465 2.483 20 30 FEEDRO N#Cc1ccc(OC2CCC(NC(=O)NCCC[NH2+]C3CC3)CC2)nc1 ZINC000417968268 559384391 /nfs/dbraw/zinc/38/43/91/559384391.db2.gz OIZNRYDKACSMEI-UHFFFAOYSA-N 1 0 357.458 2.085 20 30 FEEDRO COc1ccc(CN2C[C@@H](C)[N@H+](CCO)C[C@@H]2C)cc1OCCCC#N ZINC000418123747 559391095 /nfs/dbraw/zinc/39/10/95/559391095.db2.gz YPNUTKONAKRMAN-SJORKVTESA-N 1 0 361.486 2.265 20 30 FEEDRO N#CCCC[C@H](NC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1)c1ccccc1 ZINC000418209991 559394129 /nfs/dbraw/zinc/39/41/29/559394129.db2.gz GDNOVJSAKLECJB-MOPGFXCFSA-N 1 0 355.486 2.111 20 30 FEEDRO N#Cc1cccc([C@H]2CN(C(=O)NC[C@@H]([NH3+])c3ccccc3)CCO2)c1 ZINC000418426505 559401109 /nfs/dbraw/zinc/40/11/09/559401109.db2.gz JZOPYGUJFAEDIU-RTBURBONSA-N 1 0 350.422 2.341 20 30 FEEDRO C[C@H]([NH3+])c1ccc(CNC(=O)N2CCN(c3ncccc3C#N)CC2)cc1 ZINC000418443575 559401887 /nfs/dbraw/zinc/40/18/87/559401887.db2.gz APQHKYYIKTXOQK-HNNXBMFYSA-N 1 0 364.453 2.005 20 30 FEEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@@]1(COC)CCC[NH2+]1 ZINC000418628197 559408528 /nfs/dbraw/zinc/40/85/28/559408528.db2.gz ARYQWGHCJDGUSI-GOSISDBHSA-N 1 0 362.430 2.061 20 30 FEEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC[C@]1(COC)CCC[NH2+]1 ZINC000418661345 559410364 /nfs/dbraw/zinc/41/03/64/559410364.db2.gz ZFPMQAYABDLVHF-IBGZPJMESA-N 1 0 363.506 2.320 20 30 FEEDRO N#Cc1c(F)cccc1N1CCN(C(=O)NCCC[C@@H]2CCC[NH2+]2)CC1 ZINC000418770413 559415242 /nfs/dbraw/zinc/41/52/42/559415242.db2.gz OIMDCQRSDCGYIX-HNNXBMFYSA-N 1 0 359.449 2.061 20 30 FEEDRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)NCC2(C#N)CCC2)CC1 ZINC000419419878 559441295 /nfs/dbraw/zinc/44/12/95/559441295.db2.gz ZQKVOMUMCBJGTM-UHFFFAOYSA-N 1 0 369.513 2.317 20 30 FEEDRO N#CCC[C@@H](NC(=O)C(=O)N[C@H](C[NH3+])C1CCCCC1)c1ccccc1 ZINC000419477977 559444423 /nfs/dbraw/zinc/44/44/23/559444423.db2.gz RZZXVULWFZKWQL-QZTJIDSGSA-N 1 0 356.470 2.171 20 30 FEEDRO CC1(C)CCC[NH2+][C@@H]1CNC(=O)C(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000419479691 559444482 /nfs/dbraw/zinc/44/44/82/559444482.db2.gz VCEXPPVSMTZZBW-DLBZAZTESA-N 1 0 356.470 2.042 20 30 FEEDRO CC1CC[NH+](C[C@H](O)CNC(=O)N[C@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000419632122 559450539 /nfs/dbraw/zinc/45/05/39/559450539.db2.gz FQBMRMFKPQTHOL-QUCCMNQESA-N 1 0 370.497 2.328 20 30 FEEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000419910575 559464049 /nfs/dbraw/zinc/46/40/49/559464049.db2.gz IEYADWUETVWYIN-LBPRGKRZSA-N 1 0 355.891 2.032 20 30 FEEDRO C=CC1CCN(C(=O)C(=O)N[C@@H](C[NH3+])c2ccc3ccccc3c2)CC1 ZINC000420067866 559470987 /nfs/dbraw/zinc/47/09/87/559470987.db2.gz YNJSMJIPSPDJTC-IBGZPJMESA-N 1 0 351.450 2.380 20 30 FEEDRO CC(=O)N[C@H]1CC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)C1 ZINC000420976618 559516036 /nfs/dbraw/zinc/51/60/36/559516036.db2.gz BDBYRFTZYXZQIU-OCCSQVGLSA-N 1 0 374.510 2.284 20 30 FEEDRO N#Cc1ccc(C[NH2+]CCCCN2C(=O)NC3(CCCC3)C2=O)cc1F ZINC000421341037 559539590 /nfs/dbraw/zinc/53/95/90/559539590.db2.gz JRYPAIRYFMQSOJ-UHFFFAOYSA-N 1 0 358.417 2.432 20 30 FEEDRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)C(=O)NCC(C)(C)CC#N ZINC000421407246 559541535 /nfs/dbraw/zinc/54/15/35/559541535.db2.gz VPWHLVPQCGHTCK-UHFFFAOYSA-N 1 0 358.486 2.199 20 30 FEEDRO C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000422301039 559576965 /nfs/dbraw/zinc/57/69/65/559576965.db2.gz WBAYHCKEJDQNPH-RBUKOAKNSA-N 1 0 369.509 2.423 20 30 FEEDRO C[C@@H](CCNC(=O)C(=O)NCC(C)(C)CC#N)[N@H+](C)Cc1ccccc1 ZINC000422395111 559584833 /nfs/dbraw/zinc/58/48/33/559584833.db2.gz FGCURWGMCMJUHU-INIZCTEOSA-N 1 0 358.486 2.069 20 30 FEEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CCC(C[NH2+]C)CC1 ZINC000423032849 559615870 /nfs/dbraw/zinc/61/58/70/559615870.db2.gz YVIPFIACGHXXQY-UHFFFAOYSA-N 1 0 369.918 2.374 20 30 FEEDRO C=C(C)CN(Cc1ccccc1)C(=O)C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000423360575 559626582 /nfs/dbraw/zinc/62/65/82/559626582.db2.gz FVDWVBHCMJBJDV-HXUWFJFHSA-N 1 0 369.509 2.439 20 30 FEEDRO N#CCCC[C@@H]([NH3+])C(=O)N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000424098483 559654694 /nfs/dbraw/zinc/65/46/94/559654694.db2.gz CVFPZWSFGLDCNC-HUUCEWRRSA-N 1 0 366.259 2.370 20 30 FEEDRO N#CCCC[C@@H]([NH3+])C(=O)Nc1ccc(Cl)c(-n2nnnc2C2CC2)c1 ZINC000424131780 559655706 /nfs/dbraw/zinc/65/57/06/559655706.db2.gz VMOMTXCLEPOYDH-CYBMUJFWSA-N 1 0 359.821 2.153 20 30 FEEDRO N#CCCC[C@H]([NH3+])C(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccccc1 ZINC000424137801 559655964 /nfs/dbraw/zinc/65/59/64/559655964.db2.gz MEPFJFOYKQVCPK-RBUKOAKNSA-N 1 0 364.449 2.374 20 30 FEEDRO COC(=O)c1cc(NC(=O)[C@H]([NH3+])CCCC#N)cc(Br)c1F ZINC000424185674 559657088 /nfs/dbraw/zinc/65/70/88/559657088.db2.gz HAXZQNHQADSKRM-LLVKDONJSA-N 1 0 372.194 2.334 20 30 FEEDRO N#CCCC[C@H]([NH3+])C(=O)N[C@@H](c1nc[nH]n1)c1cccc(C(F)(F)F)c1 ZINC000424192379 559657267 /nfs/dbraw/zinc/65/72/67/559657267.db2.gz SCTWTEZVRWUQRX-QWHCGFSZSA-N 1 0 366.347 2.050 20 30 FEEDRO C=CCC1(C(=O)NCc2ccncc2OCCC[NH+](C)C)CCOCC1 ZINC000424826811 559677926 /nfs/dbraw/zinc/67/79/26/559677926.db2.gz LSTMOBYJQYNMLZ-UHFFFAOYSA-N 1 0 361.486 2.401 20 30 FEEDRO C=CCn1cc(CNC(=O)[C@H](C)[NH+]2CCC(Cc3ccccc3)CC2)nn1 ZINC000424909452 559679712 /nfs/dbraw/zinc/67/97/12/559679712.db2.gz UEUULQYYVZEEKQ-KRWDZBQOSA-N 1 0 367.497 2.424 20 30 FEEDRO CC(C)(CC#N)CS(=O)(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000425200394 559690854 /nfs/dbraw/zinc/69/08/54/559690854.db2.gz HSKZVLIAOGEZSB-ZWKOTPCHSA-N 1 0 361.511 2.462 20 30 FEEDRO C[C@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000425389022 559699513 /nfs/dbraw/zinc/69/95/13/559699513.db2.gz TUJVVXUJLVGEBF-IIBYNOLFSA-N 1 0 368.481 2.022 20 30 FEEDRO Cc1ccc(C#N)cc1NC(=O)C(=O)N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000527327065 562285472 /nfs/dbraw/zinc/28/54/72/562285472.db2.gz HZMRDPUKIUMBRS-UHFFFAOYSA-N 1 0 356.470 2.384 20 30 FEEDRO C=CCn1cc(CNC(=O)NCc2ccccc2C[NH+]2CCCC2)nn1 ZINC000425389648 559699729 /nfs/dbraw/zinc/69/97/29/559699729.db2.gz ZCWHMYHITIHMSV-UHFFFAOYSA-N 1 0 354.458 2.059 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@@H](C(CC)CC)[NH+]1CCOCC1 ZINC000425394761 559699898 /nfs/dbraw/zinc/69/98/98/559699898.db2.gz GCDWHQHBVUSCSK-BZSNNMDCSA-N 1 0 353.507 2.014 20 30 FEEDRO C=CCn1cc(CNC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)nn1 ZINC000425401572 559700445 /nfs/dbraw/zinc/70/04/45/559700445.db2.gz CFAGIKILFCUGDI-UHFFFAOYSA-N 1 0 372.448 2.067 20 30 FEEDRO C=CCn1cc(CNC(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)nn1 ZINC000425430209 559702056 /nfs/dbraw/zinc/70/20/56/559702056.db2.gz DPVIDRLMPKLPJL-IBGZPJMESA-N 1 0 368.485 2.318 20 30 FEEDRO C=CCn1cc(CNC(=O)NCC[C@@H](C)[N@H+](C)Cc2ccccc2)nn1 ZINC000425471984 559704171 /nfs/dbraw/zinc/70/41/71/559704171.db2.gz HVYFXYUDPNCVRF-MRXNPFEDSA-N 1 0 356.474 2.174 20 30 FEEDRO N#C[C@H]1CC[C@@H](NC(=O)NCc2ccccc2C[N@H+]2CCC[C@H]2CO)C1 ZINC000425718621 559715979 /nfs/dbraw/zinc/71/59/79/559715979.db2.gz ABKPPXDIISPLRI-IPELMVKDSA-N 1 0 356.470 2.135 20 30 FEEDRO C[C@@H](CNC(=O)C(=O)N(C)[C@@H](C)c1cccc(C#N)c1)[NH+]1CCC(C)CC1 ZINC000425874354 559723668 /nfs/dbraw/zinc/72/36/68/559723668.db2.gz CHXGHZBOEJRGBZ-IRXDYDNUSA-N 1 0 370.497 2.314 20 30 FEEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]C1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 ZINC000428411766 559775061 /nfs/dbraw/zinc/77/50/61/559775061.db2.gz FWZMKKCBJJTZDD-ZIAGYGMSSA-N 1 0 366.483 2.021 20 30 FEEDRO N#Cc1cnc(C(=O)Nc2cccc(C[N@H+]3CC[C@@H](O)C3)c2)c(Cl)c1 ZINC000428551370 559777978 /nfs/dbraw/zinc/77/79/78/559777978.db2.gz SJFIVMQGFQYWLF-OAHLLOKOSA-N 1 0 356.813 2.426 20 30 FEEDRO C=C(C)[C@H](CC(=O)N(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)OCC ZINC000428974349 559787059 /nfs/dbraw/zinc/78/70/59/559787059.db2.gz FGAAKKFVOVWHTM-PZJWPPBQSA-N 1 0 360.498 2.453 20 30 FEEDRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]CC(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000429777430 559805624 /nfs/dbraw/zinc/80/56/24/559805624.db2.gz XVLVYISXCVPCNU-QZTJIDSGSA-N 1 0 356.470 2.054 20 30 FEEDRO C[C@@H](c1cccc(C#N)c1)[N@H+](C)CCOc1ccc(S(N)(=O)=O)cc1 ZINC000433062014 559870922 /nfs/dbraw/zinc/87/09/22/559870922.db2.gz RKTLCUFOJXFRIS-AWEZNQCLSA-N 1 0 359.451 2.277 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@H]([C@@H](O)C(F)(F)F)C2)CC1 ZINC000433606003 559884962 /nfs/dbraw/zinc/88/49/62/559884962.db2.gz FHEWKXKHSWMRRB-DZGCQCFKSA-N 1 0 363.424 2.372 20 30 FEEDRO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N(C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000434748315 559908321 /nfs/dbraw/zinc/90/83/21/559908321.db2.gz RKZHOHSMQKIMLE-SAJDGTNDSA-N 1 0 371.529 2.449 20 30 FEEDRO Cc1oc(C#N)cc1C(=O)Nc1ccccc1C[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000435687454 559928116 /nfs/dbraw/zinc/92/81/16/559928116.db2.gz GBKWZRYYFZWVOE-HNNXBMFYSA-N 1 0 366.421 2.409 20 30 FEEDRO CS(=O)(=O)NC[C@H]1CCC[N@H+](Cc2cccc(OCCCC#N)c2)C1 ZINC000435770859 559929876 /nfs/dbraw/zinc/92/98/76/559929876.db2.gz RGXPOLSAZLPIQQ-QGZVFWFLSA-N 1 0 365.499 2.130 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)c1ccc(O)cc1 ZINC000436673011 559948453 /nfs/dbraw/zinc/94/84/53/559948453.db2.gz NGBTUMMSKJMCJK-UHFFFAOYSA-N 1 0 351.406 2.037 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000437993345 559972647 /nfs/dbraw/zinc/97/26/47/559972647.db2.gz DKNKMRLWBPTSJZ-MJGOQNOKSA-N 1 0 365.518 2.254 20 30 FEEDRO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000438711719 559982575 /nfs/dbraw/zinc/98/25/75/559982575.db2.gz OCBJHTRMBSPILV-UHFFFAOYSA-N 1 0 368.485 3.006 20 30 FEEDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NS(=O)(=O)Cc1ccc(C#N)cc1F ZINC000440043666 560003721 /nfs/dbraw/zinc/00/37/21/560003721.db2.gz NKDUNXAQDRHNJV-RBSFLKMASA-N 1 0 367.490 2.483 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)cc1C(F)(F)F ZINC000440443429 560011142 /nfs/dbraw/zinc/01/11/42/560011142.db2.gz VUFGFVOXASIUDE-GFCCVEGCSA-N 1 0 359.373 2.092 20 30 FEEDRO CC(C)(C)OC(=O)CN[C@]1(C)CC[N@H+](CCOc2ccccc2C#N)C1 ZINC000440537329 560014021 /nfs/dbraw/zinc/01/40/21/560014021.db2.gz YZHPAWZHNYYGBQ-HXUWFJFHSA-N 1 0 359.470 2.333 20 30 FEEDRO CCOC(=O)c1ccc(N2CC([NH2+]Cc3ccc(C#N)c(OC)c3)C2)nc1 ZINC000440634439 560015251 /nfs/dbraw/zinc/01/52/51/560015251.db2.gz HRBWXHBZIDBUPT-UHFFFAOYSA-N 1 0 366.421 2.117 20 30 FEEDRO COc1cccc(N2C[C@H]([NH2+]Cc3ccc(C#N)c(OC)c3)CC2=O)c1 ZINC000440826911 560019087 /nfs/dbraw/zinc/01/90/87/560019087.db2.gz VYVGRMOMBXERCX-MRXNPFEDSA-N 1 0 351.406 2.471 20 30 FEEDRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)NCC2CCC(C#N)CC2)C1 ZINC000440987879 560020998 /nfs/dbraw/zinc/02/09/98/560020998.db2.gz IJKVUSGPBGDISQ-ABHNRTSZSA-N 1 0 350.507 2.459 20 30 FEEDRO C[C@H]1C[C@@H](NS(=O)(=O)c2cc(Br)cc(C#N)c2)CC[N@@H+]1C ZINC000443468401 560084772 /nfs/dbraw/zinc/08/47/72/560084772.db2.gz OCNIYGBAYGSSFN-GWCFXTLKSA-N 1 0 372.288 2.082 20 30 FEEDRO CN1CC[NH+](CC2CCN(c3ccc(C(F)(F)F)c(C#N)n3)CC2)CC1 ZINC000443532374 560086514 /nfs/dbraw/zinc/08/65/14/560086514.db2.gz RUWASYKCFNSIKF-UHFFFAOYSA-N 1 0 367.419 2.436 20 30 FEEDRO CC1(C)CCC[N@H+](CCNC(=O)Nc2cnn(-c3ncccc3C#N)c2)C1 ZINC000445126019 560129383 /nfs/dbraw/zinc/12/93/83/560129383.db2.gz ZTVXHXSHHJEYCT-UHFFFAOYSA-N 1 0 367.457 2.382 20 30 FEEDRO Cc1ccc(S(=O)(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)cn1 ZINC000447760590 560168722 /nfs/dbraw/zinc/16/87/22/560168722.db2.gz ODNLXHDEHPYCQV-UHFFFAOYSA-N 1 0 358.467 2.014 20 30 FEEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH2+][C@@H](CO)[C@@H]2CCCO2)c1 ZINC000447915472 560172804 /nfs/dbraw/zinc/17/28/04/560172804.db2.gz RQHLZCJKIJCUNH-WDSOQIARSA-N 1 0 359.470 2.068 20 30 FEEDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)COc1ccc(C#N)c(Br)c1 ZINC000449172746 560219017 /nfs/dbraw/zinc/21/90/17/560219017.db2.gz DDGGNIWFFSWJDT-CYBMUJFWSA-N 1 0 366.259 2.300 20 30 FEEDRO C[NH+](C)C[C@H]1CCCN1C(=O)COc1cccc(Br)c1C#N ZINC000449828913 560241628 /nfs/dbraw/zinc/24/16/28/560241628.db2.gz QREKKAOFGTWHJN-GFCCVEGCSA-N 1 0 366.259 2.252 20 30 FEEDRO C[C@@H]1C[NH+](CCC2CCN(C(=O)c3ccc(C#N)n3C)CC2)C[C@@H](C)O1 ZINC000450067900 560249748 /nfs/dbraw/zinc/24/97/48/560249748.db2.gz QQGPGAFDTNXSIN-HZPDHXFCSA-N 1 0 358.486 2.248 20 30 FEEDRO C[C@@H]1C[NH+](CCCNc2ncc(Br)cc2C#N)C[C@@H](C)O1 ZINC000450240752 560255324 /nfs/dbraw/zinc/25/53/24/560255324.db2.gz HDFXWPFBZUVCKK-VXGBXAGGSA-N 1 0 353.264 2.627 20 30 FEEDRO CC1CC[NH+](C[C@@H](O)CNc2ncc(Br)cc2C#N)CC1 ZINC000450331808 560258944 /nfs/dbraw/zinc/25/89/44/560258944.db2.gz WEOUQHMEFNATTI-AWEZNQCLSA-N 1 0 353.264 2.220 20 30 FEEDRO C[C@H]1[C@H](NC(=O)COc2cccc(Br)c2C#N)CCC[N@@H+]1C ZINC000450547016 560265727 /nfs/dbraw/zinc/26/57/27/560265727.db2.gz LUOTZBZXGVSWRV-SMDDNHRTSA-N 1 0 366.259 2.298 20 30 FEEDRO N#Cc1c(C#N)c(NC[C@H]2CCC[N@H+]2CCCO)nc2c1CCCCCC2 ZINC000450591520 560267415 /nfs/dbraw/zinc/26/74/15/560267415.db2.gz GHIPFVPMLINZGM-MRXNPFEDSA-N 1 0 367.497 2.743 20 30 FEEDRO CC(=O)N1CCC[N@H+](C[C@@H]2CCCN(c3ccc(C)c(C#N)n3)C2)CC1 ZINC000450775246 560272990 /nfs/dbraw/zinc/27/29/90/560272990.db2.gz POCAHUCZHMJOOQ-SFHVURJKSA-N 1 0 355.486 2.032 20 30 FEEDRO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC[C@H](CC(C)(C)C(N)=O)C1 ZINC000451214739 560293559 /nfs/dbraw/zinc/29/35/59/560293559.db2.gz XUJHOJMCNLSGMW-HZPDHXFCSA-N 1 0 362.518 2.331 20 30 FEEDRO CC[C@H]1CN(CCNC(=O)c2cccc(C#N)c2Br)CCO1 ZINC000451245829 560295537 /nfs/dbraw/zinc/29/55/37/560295537.db2.gz UOAPLRDULFLYNP-ZDUSSCGKSA-N 1 0 366.259 2.161 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]CC(=O)N1CCC[C@@H]1c1ccc(OC)c(OC)c1 ZINC000451605837 560316966 /nfs/dbraw/zinc/31/69/66/560316966.db2.gz KOJAKXOPMOOQAF-ZACQAIPSSA-N 1 0 360.454 2.300 20 30 FEEDRO C[C@H](C#N)CN(C)S(=O)(=O)N1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000452009140 560345096 /nfs/dbraw/zinc/34/50/96/560345096.db2.gz CBSNUMOTIIUIAW-OAHLLOKOSA-N 1 0 358.552 2.155 20 30 FEEDRO COc1ccc(N2CC[NH+](CCC(=O)Nc3ccc(C#N)cc3)CC2)nc1 ZINC000452059304 560348714 /nfs/dbraw/zinc/34/87/14/560348714.db2.gz OEIVJDUXVQRWDZ-UHFFFAOYSA-N 1 0 365.437 2.113 20 30 FEEDRO CSc1nc(C2CC2)cc(C(=O)NC[C@@H]2CCCC[N@@H+]2CCO)c1C#N ZINC000452792484 560374275 /nfs/dbraw/zinc/37/42/75/560374275.db2.gz GHFXLKPCKDJHEJ-AWEZNQCLSA-N 1 0 374.510 2.129 20 30 FEEDRO C=CCNC(=O)C[NH2+][C@@H](C)c1ccc(F)c(I)c1 ZINC000453183865 560384128 /nfs/dbraw/zinc/38/41/28/560384128.db2.gz OYINYOOTQHONGT-VIFPVBQESA-N 1 0 362.186 2.383 20 30 FEEDRO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1cccc(CC#N)c1)C1CCCCC1 ZINC000453598866 560390375 /nfs/dbraw/zinc/39/03/75/560390375.db2.gz MNVLUALAZOFHFH-GOSISDBHSA-N 1 0 356.470 2.318 20 30 FEEDRO C[NH+](C)CC[C@@H](NC(=O)C(=O)Nc1cnc(C#N)c(Cl)c1)C(C)(C)C ZINC000453642704 560392761 /nfs/dbraw/zinc/39/27/61/560392761.db2.gz KPQVFMLVGQZXMJ-CQSZACIVSA-N 1 0 365.865 2.028 20 30 FEEDRO C[NH+]1CCC(C)(CNC(=O)C(=O)Nc2ccc(CC#N)cc2Cl)CC1 ZINC000453690112 560397051 /nfs/dbraw/zinc/39/70/51/560397051.db2.gz AUJFAVKCNSHDQC-UHFFFAOYSA-N 1 0 362.861 2.193 20 30 FEEDRO C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 ZINC000453704076 560398232 /nfs/dbraw/zinc/39/82/32/560398232.db2.gz CZJORMNMOLAVKK-AWEZNQCLSA-N 1 0 372.469 2.227 20 30 FEEDRO C[NH+](C)CCOc1ccc(NC(=O)C(=O)Nc2cccc(CC#N)c2)cc1 ZINC000453707888 560398399 /nfs/dbraw/zinc/39/83/99/560398399.db2.gz JXIWPAXTRSYRPW-UHFFFAOYSA-N 1 0 366.421 2.270 20 30 FEEDRO C[C@H](NC(=O)C(=O)Nc1cccc(CC#N)c1)[C@@H](c1ccccc1)[NH+](C)C ZINC000453730183 560400073 /nfs/dbraw/zinc/40/00/73/560400073.db2.gz BBZDMPMCUYKMSS-KXBFYZLASA-N 1 0 364.449 2.499 20 30 FEEDRO CN(CCC[NH+]1CCCC1)C(=O)C(=O)Nc1ccc(CC#N)cc1Cl ZINC000453740516 560400883 /nfs/dbraw/zinc/40/08/83/560400883.db2.gz SPJNKISZEFXMJJ-UHFFFAOYSA-N 1 0 362.861 2.289 20 30 FEEDRO CC[C@@H](C)[NH2+][C@@H](CNC(=O)C(=O)Nc1ccc(C#N)c(C)n1)c1ccco1 ZINC000453754285 560401801 /nfs/dbraw/zinc/40/18/01/560401801.db2.gz WDROIPWJTFSPHA-DOMZBBRYSA-N 1 0 369.425 2.039 20 30 FEEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000453920823 560413292 /nfs/dbraw/zinc/41/32/92/560413292.db2.gz RNTQFRZDTXEPGT-OFQRWUPVSA-N 1 0 372.494 2.182 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1NC(=O)C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000453933941 560414398 /nfs/dbraw/zinc/41/43/98/560414398.db2.gz LRBDKJPQRALEHB-IPELMVKDSA-N 1 0 371.481 2.317 20 30 FEEDRO CC[NH+]1CCN(CC(C)(C)NC(=O)N[C@H](C)c2ccc(C#N)cc2)CC1 ZINC000454566843 560449841 /nfs/dbraw/zinc/44/98/41/560449841.db2.gz PPDCWLVXEBWNSN-MRXNPFEDSA-N 1 0 357.502 2.335 20 30 FEEDRO C=CC[C@H](CC)NC(=O)N1CCC[C@@H](C[N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC000454912645 560463246 /nfs/dbraw/zinc/46/32/46/560463246.db2.gz NCFJYKVQMDKIEA-OALUTQOASA-N 1 0 364.534 2.317 20 30 FEEDRO C[NH+](C)CCCC(C)(C)NC(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000455138245 560471514 /nfs/dbraw/zinc/47/15/14/560471514.db2.gz IIGWZTPIBHNXRE-UHFFFAOYSA-N 1 0 355.446 2.381 20 30 FEEDRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)NCc2ccc(C#N)c(F)c2)C1 ZINC000455551441 560486785 /nfs/dbraw/zinc/48/67/85/560486785.db2.gz XSHZERCCGHAHHS-QGZVFWFLSA-N 1 0 362.449 2.340 20 30 FEEDRO N#CCc1ccc(NC(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)c(Cl)c1 ZINC000455735273 560493311 /nfs/dbraw/zinc/49/33/11/560493311.db2.gz QGNVHDRCOZMCDD-CQSZACIVSA-N 1 0 350.850 2.374 20 30 FEEDRO C[C@H]1C[NH+](CCCNC(=O)Nc2cnc(C#N)c(Cl)c2)C[C@H](C)O1 ZINC000455751923 560493868 /nfs/dbraw/zinc/49/38/68/560493868.db2.gz IKAQWIQBHBOMFO-RYUDHWBXSA-N 1 0 351.838 2.227 20 30 FEEDRO C=CCN1CC[C@@H](N(C)C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)C1=O ZINC000455835250 560496960 /nfs/dbraw/zinc/49/69/60/560496960.db2.gz AAHUDBFSGABQNP-ZWKOTPCHSA-N 1 0 356.470 2.486 20 30 FEEDRO CC(C)[NH+]1CCC(O)(CNC(=O)C(C)(C)Cc2ccc(C#N)cc2)CC1 ZINC000455944127 560501249 /nfs/dbraw/zinc/50/12/49/560501249.db2.gz MQZBAULNROQMOY-UHFFFAOYSA-N 1 0 357.498 2.478 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1NC(=O)NC[C@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC000457481998 560569884 /nfs/dbraw/zinc/56/98/84/560569884.db2.gz KTYUAUNOASSDJC-QRVBRYPASA-N 1 0 359.470 2.475 20 30 FEEDRO CN(CC(C)(C)C#N)C(=O)NCc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000457653702 560580126 /nfs/dbraw/zinc/58/01/26/560580126.db2.gz OHENVYDXFVHXIA-UHFFFAOYSA-N 1 0 357.502 2.125 20 30 FEEDRO COc1cccc(CN(CC[NH+](C)C)C(=O)c2cc(C)c(C#N)cn2)c1 ZINC000457759344 560586292 /nfs/dbraw/zinc/58/62/92/560586292.db2.gz HNRDPSNBJKADFF-UHFFFAOYSA-N 1 0 352.438 2.474 20 30 FEEDRO CC(C)(CC#N)CNC(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000458317443 560614725 /nfs/dbraw/zinc/61/47/25/560614725.db2.gz QMZDANMJJYFEDA-UHFFFAOYSA-N 1 0 358.486 2.382 20 30 FEEDRO N#CC[C@@H]1CC[C@H](NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)C1 ZINC000459006956 560661463 /nfs/dbraw/zinc/66/14/63/560661463.db2.gz JFCGQOYWKONRRN-RNQOJCNYSA-N 1 0 370.497 2.251 20 30 FEEDRO N#CC[C@@H]1CC[C@H](NC(=O)NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000459007511 560661583 /nfs/dbraw/zinc/66/15/83/560661583.db2.gz JVVBYSUBYHMIBC-XKGZKEIXSA-N 1 0 356.470 2.005 20 30 FEEDRO CC(C)(CC#N)CNC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000459260448 560676476 /nfs/dbraw/zinc/67/64/76/560676476.db2.gz QIEMQJKNKMGLDY-QZTJIDSGSA-N 1 0 358.486 2.108 20 30 FEEDRO COc1c[nH+]ccc1N1CCN(C(=O)Nc2snc(C)c2C#N)CC1 ZINC000459562182 560694491 /nfs/dbraw/zinc/69/44/91/560694491.db2.gz ASABGHILVBGOTQ-UHFFFAOYSA-N 1 0 358.427 2.081 20 30 FEEDRO COc1ccc(C)cc1[C@H](C)[NH2+]CC(=O)N1CCN([C@H](C#N)C(C)C)CC1 ZINC000459653442 560700072 /nfs/dbraw/zinc/70/00/72/560700072.db2.gz CAFUXWZYKCWQEU-PKOBYXMFSA-N 1 0 372.513 2.347 20 30 FEEDRO CCC[C@@H]([NH2+]CC(=O)N1CCN(c2oc(C)nc2C#N)CC1)C1CCC1 ZINC000459770344 560707098 /nfs/dbraw/zinc/70/70/98/560707098.db2.gz CHCNKMKULNGPEY-MRXNPFEDSA-N 1 0 359.474 2.062 20 30 FEEDRO N#C[C@H]1CCC[C@@H]1NC(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000461950521 560789495 /nfs/dbraw/zinc/78/94/95/560789495.db2.gz AKOPRJVFDJFZAK-MJGOQNOKSA-N 1 0 355.486 2.190 20 30 FEEDRO C[C@@H](C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1)c1cccc(C#N)c1 ZINC000462046624 560793944 /nfs/dbraw/zinc/79/39/44/560793944.db2.gz KQBXXKRWSZYDIM-XLIONFOSSA-N 1 0 354.498 2.290 20 30 FEEDRO N#Cc1cccnc1-n1cc(NC(=O)NCC[NH+]2CCCCCC2)cn1 ZINC000462094225 560796738 /nfs/dbraw/zinc/79/67/38/560796738.db2.gz WOOUURHHPLPESI-UHFFFAOYSA-N 1 0 353.430 2.136 20 30 FEEDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CC(Oc2ccc(C#N)cc2)C1 ZINC000462139728 560798978 /nfs/dbraw/zinc/79/89/78/560798978.db2.gz ZCJVCXZOAJLKEF-HZPDHXFCSA-N 1 0 356.470 2.451 20 30 FEEDRO COc1cc(CNC(=O)N[C@@H]2CCO[C@@H](c3cncn3C)C2)ccc1C#N ZINC000462473140 560811508 /nfs/dbraw/zinc/81/15/08/560811508.db2.gz NHFCBVLHBLHAFZ-CRAIPNDOSA-N 1 0 369.425 2.020 20 30 FEEDRO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)CCc1cccc(Br)c1 ZINC000463417995 560813463 /nfs/dbraw/zinc/81/34/63/560813463.db2.gz RDXXOCLRISUSJB-GFCCVEGCSA-N 1 0 368.275 2.324 20 30 FEEDRO COc1cc(C#N)ccc1S(=O)(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000466723410 560893529 /nfs/dbraw/zinc/89/35/29/560893529.db2.gz TYEMSOINIMHQOM-UHFFFAOYSA-N 1 0 373.478 2.149 20 30 FEEDRO C[NH+](C)CCCOC1CCN(C(=O)NCCc2cccc(C#N)c2)CC1 ZINC000466812926 560896197 /nfs/dbraw/zinc/89/61/97/560896197.db2.gz BOXWDVZUMJAMAK-UHFFFAOYSA-N 1 0 358.486 2.243 20 30 FEEDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000467059686 560902688 /nfs/dbraw/zinc/90/26/88/560902688.db2.gz VNSPNBDZNUNWOD-CXAGYDPISA-N 1 0 354.454 2.025 20 30 FEEDRO C=CCC[N@@H+](C)CC(=O)Nc1c(C(=O)OCC)cnn1-c1ccccc1 ZINC000467295150 560907938 /nfs/dbraw/zinc/90/79/38/560907938.db2.gz JMTUYOIWVYIWFG-UHFFFAOYSA-N 1 0 356.426 2.495 20 30 FEEDRO C=CC[C@@H](CO)[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000467412543 560909588 /nfs/dbraw/zinc/90/95/88/560909588.db2.gz SOTQMXYXJJGMGK-WCQYABFASA-N 1 0 360.273 2.194 20 30 FEEDRO CC[NH+]1CCN(CC(=O)N[C@@H](C#N)c2cccc(C(F)(F)F)c2)CC1 ZINC000469089438 560946841 /nfs/dbraw/zinc/94/68/41/560946841.db2.gz XLNZDQIKBFUFHN-HNNXBMFYSA-N 1 0 354.376 2.024 20 30 FEEDRO C[C@@H](CNC(=O)c1cn(CCCC#N)c2ccccc12)N1CC[NH+](C)CC1 ZINC000469137872 560948119 /nfs/dbraw/zinc/94/81/19/560948119.db2.gz YWXUHYPTLRHGNR-KRWDZBQOSA-N 1 0 367.497 2.311 20 30 FEEDRO COCC[N@@H+]1CC[C@@H](NC(=O)c2cn(CCCC#N)c3ccccc23)C1 ZINC000469377451 560953617 /nfs/dbraw/zinc/95/36/17/560953617.db2.gz QZNHQDCYMMGUSP-MRXNPFEDSA-N 1 0 354.454 2.396 20 30 FEEDRO O=C(NCC(F)(F)F)[C@@H]1CC[N@H+](CCOCC(F)(F)C(F)(F)F)C1 ZINC000469780332 560964442 /nfs/dbraw/zinc/96/44/42/560964442.db2.gz NOQFBVUTVVAEQM-MRVPVSSYSA-N 1 0 372.256 2.201 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCCN(CCC)C(=O)C1)C(C)C ZINC000472093917 561017781 /nfs/dbraw/zinc/01/77/81/561017781.db2.gz JVTPTHURAFNMNK-SFHVURJKSA-N 1 0 364.534 2.339 20 30 FEEDRO CC[NH+](CC)CCO[C@@H]1CCN([C@@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000472282560 561022924 /nfs/dbraw/zinc/02/29/24/561022924.db2.gz FTSARYSNAMXOCB-FUHWJXTLSA-N 1 0 358.486 2.318 20 30 FEEDRO C=CCC[C@H](O)C[NH+]1CCN([C@@H](C(=O)OC)c2ccc(Cl)cc2)CC1 ZINC000472752761 561034507 /nfs/dbraw/zinc/03/45/07/561034507.db2.gz OTCSPUXGZNNLRF-ZWKOTPCHSA-N 1 0 366.889 2.499 20 30 FEEDRO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)Nc1ccccc1C#Cc1ccccc1 ZINC000473262198 561045776 /nfs/dbraw/zinc/04/57/76/561045776.db2.gz WJYYSPZSENOLIA-KRWDZBQOSA-N 1 0 363.461 2.481 20 30 FEEDRO COc1ccccc1[C@@H](CNC(=O)c1cnn(C)c1C#N)[NH+]1CCCCC1 ZINC000475025798 561088068 /nfs/dbraw/zinc/08/80/68/561088068.db2.gz YUDGIRKTPZJDBG-GOSISDBHSA-N 1 0 367.453 2.257 20 30 FEEDRO Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)c1cnn(C)c1C#N ZINC000475381087 561096031 /nfs/dbraw/zinc/09/60/31/561096031.db2.gz BCTNACWDPZWUHW-UHFFFAOYSA-N 1 0 355.467 2.401 20 30 FEEDRO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](C[C@@H](O)COc2ccccc2C#N)C1 ZINC000528366805 562325185 /nfs/dbraw/zinc/32/51/85/562325185.db2.gz PSKBGDXCWCJYBE-QXAKKESOSA-N 1 0 373.497 2.315 20 30 FEEDRO O=C1c2ccccc2C(=O)N1CC#CC[NH+]1CCC(OCC2CC2)CC1 ZINC000528392566 562326536 /nfs/dbraw/zinc/32/65/36/562326536.db2.gz FAPHWTCZMAQSLH-UHFFFAOYSA-N 1 0 352.434 2.177 20 30 FEEDRO O=C1c2ccccc2C(=O)N1CC#CC[N@@H+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000528420964 562328309 /nfs/dbraw/zinc/32/83/09/562328309.db2.gz MWGNADUIHSNMOM-IAGOWNOFSA-N 1 0 352.434 2.035 20 30 FEEDRO N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000528435100 562329124 /nfs/dbraw/zinc/32/91/24/562329124.db2.gz ZADFPKRWTTWPEF-IAGOWNOFSA-N 1 0 367.453 2.173 20 30 FEEDRO CC(C)(C)[C@H]1CC[N@H+](CC#CCN2C(=O)c3ccccc3C2=O)C[C@H]1O ZINC000528441368 562329532 /nfs/dbraw/zinc/32/95/32/562329532.db2.gz UOLLHLDDFLOCRB-ZWKOTPCHSA-N 1 0 354.450 2.015 20 30 FEEDRO COCC[C@@H]1CCCC[N@H+](CC#CCN2C(=O)c3ccccc3C2=O)C1 ZINC000528454113 562330216 /nfs/dbraw/zinc/33/02/16/562330216.db2.gz SRIQTADURAZQMN-KRWDZBQOSA-N 1 0 354.450 2.425 20 30 FEEDRO Cn1cc([C@@H]2C[N@H+](C[C@@H](O)COc3ccccc3C#N)CC2(C)C)cn1 ZINC000528513683 562333423 /nfs/dbraw/zinc/33/34/23/562333423.db2.gz FJMBTOLGZPESMH-MSOLQXFVSA-N 1 0 354.454 2.157 20 30 FEEDRO CCO[C@H]1C[C@@H]([NH2+]CC#CCN2C(=O)c3ccccc3C2=O)C12CCC2 ZINC000528520951 562333892 /nfs/dbraw/zinc/33/38/92/562333892.db2.gz OVWYKLMLDJQLJC-MSOLQXFVSA-N 1 0 352.434 2.223 20 30 FEEDRO C[N@@H+]1CCN(C[C@H](O)COc2ccccc2C#N)[C@H](Cc2ccccc2)C1 ZINC000528535421 562334877 /nfs/dbraw/zinc/33/48/77/562334877.db2.gz UYIOOQDMRWLBDQ-RTWAWAEBSA-N 1 0 365.477 2.157 20 30 FEEDRO Cn1cc(C[C@@H]2CCC[C@H]2[NH2+]C[C@@H](O)COc2ccccc2C#N)cn1 ZINC000528558736 562336332 /nfs/dbraw/zinc/33/63/32/562336332.db2.gz ZLHKORZZBRDATL-QXAKKESOSA-N 1 0 354.454 2.032 20 30 FEEDRO N#Cc1ccc(Cc2cnc(NC(=O)NC3(C[NH3+])CCOCC3)s2)cc1 ZINC000528665881 562340925 /nfs/dbraw/zinc/34/09/25/562340925.db2.gz GVBUFZNQCJAQAA-UHFFFAOYSA-N 1 0 371.466 2.235 20 30 FEEDRO N#Cc1ccc(CC(=O)Nc2ccccc2C[NH+]2CCC(O)CC2)cn1 ZINC000528924242 562353103 /nfs/dbraw/zinc/35/31/03/562353103.db2.gz JHYMHUIWJMNVNA-UHFFFAOYSA-N 1 0 350.422 2.091 20 30 FEEDRO C[C@@H](NC(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1)c1ccc(C#N)cc1 ZINC000529297701 562367900 /nfs/dbraw/zinc/36/79/00/562367900.db2.gz PTCVFWHYYNJINE-DNVCBOLYSA-N 1 0 356.470 2.419 20 30 FEEDRO CC1([NH+]2CCOCC2)CCN(C(=O)[C@@H](C#N)CCc2ccccc2)CC1 ZINC000529910108 562390850 /nfs/dbraw/zinc/39/08/50/562390850.db2.gz REMZAVNWULKAQA-LJQANCHMSA-N 1 0 355.482 2.472 20 30 FEEDRO N#Cc1ccccc1OC[C@H](O)C[NH2+][C@@H]1CCN(c2c(F)cccc2F)C1 ZINC000530231563 562403018 /nfs/dbraw/zinc/40/30/18/562403018.db2.gz KJMDESFJQDJOMK-HZPDHXFCSA-N 1 0 373.403 2.445 20 30 FEEDRO COc1ccccc1N1CC[C@H]([NH2+]C[C@@H](O)COc2ccccc2C#N)C1 ZINC000530232844 562403290 /nfs/dbraw/zinc/40/32/90/562403290.db2.gz TTWKAZZFGKKYMX-ZWKOTPCHSA-N 1 0 367.449 2.175 20 30 FEEDRO COc1ccc(C[NH+]2CCC(C(=O)NCC(F)(F)F)CC2)cc1C#N ZINC000533079820 562497557 /nfs/dbraw/zinc/49/75/57/562497557.db2.gz RINUHZSSAQWWAG-UHFFFAOYSA-N 1 0 355.360 2.457 20 30 FEEDRO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)C2(c3cccc(C#N)c3)CC2)CC1 ZINC000533266355 562503232 /nfs/dbraw/zinc/50/32/32/562503232.db2.gz OGXYBNWIFFIFKB-MRXNPFEDSA-N 1 0 355.482 2.141 20 30 FEEDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CCC(CC#N)CC2)[C@H](C)C1 ZINC000541921105 562623417 /nfs/dbraw/zinc/62/34/17/562623417.db2.gz ZOPGGBYGSBQVSE-AEFFLSMTSA-N 1 0 350.507 2.459 20 30 FEEDRO CC[NH+](CC)CC1CCN(C(=O)C(=O)Nc2ccc(C#N)cc2OC)CC1 ZINC000546001661 562632501 /nfs/dbraw/zinc/63/25/01/562632501.db2.gz FSPQEXVJZJFERI-UHFFFAOYSA-N 1 0 372.469 2.086 20 30 FEEDRO C[NH+](C)CCc1ccc(NC(=O)C(=O)NCC#Cc2cccc(F)c2)cc1 ZINC000549738483 562638872 /nfs/dbraw/zinc/63/88/72/562638872.db2.gz ONQHNGMLAISXGP-UHFFFAOYSA-N 1 0 367.424 2.036 20 30 FEEDRO C=C(C)C[C@@H](NC(=O)c1ccc(N2CC[NH+](CC)CC2)cc1)C(=O)OC ZINC000601786131 567840810 /nfs/dbraw/zinc/84/08/10/567840810.db2.gz PIAZWFNVDSGKEI-GOSISDBHSA-N 1 0 359.470 2.066 20 30 FEEDRO N#CC1(C[C@@H](O)C[NH2+][C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)CCOCC1 ZINC000601968556 567889958 /nfs/dbraw/zinc/88/99/58/567889958.db2.gz ORNWRTQURBRNLB-OLMNPRSZSA-N 1 0 366.408 2.456 20 30 FEEDRO N#CCCN1CCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C2CC2)CC1 ZINC000602198984 567950582 /nfs/dbraw/zinc/95/05/82/567950582.db2.gz RHPHKHZROLQQQM-LEWJYISDSA-N 1 0 366.509 2.202 20 30 FEEDRO N#CCCN(Cc1ccc(S(N)(=O)=O)c(Br)c1)CC1CC1 ZINC000602464981 567983147 /nfs/dbraw/zinc/98/31/47/567983147.db2.gz JAIZHLQEPUMCRR-UHFFFAOYSA-N 1 0 372.288 2.222 20 30 FEEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000602515509 567986534 /nfs/dbraw/zinc/98/65/34/567986534.db2.gz XDDCYOKZOUBXCF-OAHLLOKOSA-N 1 0 365.499 2.125 20 30 FEEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H](O)COc1ccc(F)c(F)c1 ZINC000602538945 567992685 /nfs/dbraw/zinc/99/26/85/567992685.db2.gz FZCCDPVRFUNSSL-UONOGXRCSA-N 1 0 354.397 2.393 20 30 FEEDRO CCOC(=O)c1ccc(N2CC([NH2+][C@@H](C)CC3(C#N)CCOCC3)C2)nc1 ZINC000602608323 567997318 /nfs/dbraw/zinc/99/73/18/567997318.db2.gz MEUQTOVEYPGRIZ-HNNXBMFYSA-N 1 0 372.469 2.135 20 30 FEEDRO C[C@@H]1C[NH+](CCCN2CCN(c3ccccc3)CC2)C[C@@H](C)N1CC#N ZINC000602849391 568001016 /nfs/dbraw/zinc/00/10/16/568001016.db2.gz LAZCYVACKSJYSM-WOJBJXKFSA-N 1 0 355.530 2.117 20 30 FEEDRO C[C@H](CCC#N)C[NH2+]C[C@H](Cc1cccc(F)c1)C(=O)N1CCOCC1 ZINC000602640379 568002780 /nfs/dbraw/zinc/00/27/80/568002780.db2.gz QEQJTHDSOBDHJH-AEFFLSMTSA-N 1 0 361.461 2.373 20 30 FEEDRO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CC[C@@H](c2ccc3cccnc3n2)C1 ZINC000602890250 568006999 /nfs/dbraw/zinc/00/69/99/568006999.db2.gz ZJZRIWXAJDCRPC-DOTOQJQBSA-N 1 0 351.454 2.427 20 30 FEEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@H]1CN(C)CCN1Cc1ccccc1 ZINC000602722081 568023148 /nfs/dbraw/zinc/02/31/48/568023148.db2.gz LZIXBFCYABXRNO-CTNGQTDRSA-N 1 0 370.541 2.491 20 30 FEEDRO CCN(Cc1ccc2c(c1)OCCO2)C(=O)CN(C)[C@@H]1CCC[C@@H]1C#N ZINC000602975364 568035859 /nfs/dbraw/zinc/03/58/59/568035859.db2.gz ABAXIMIMIRKMSP-IAGOWNOFSA-N 1 0 357.454 2.430 20 30 FEEDRO CC(C)n1ncc2c1C[C@@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)CC2 ZINC000568502212 568039208 /nfs/dbraw/zinc/03/92/08/568039208.db2.gz HWSBYPBAEURBGD-KRWDZBQOSA-N 1 0 372.494 2.256 20 30 FEEDRO Cn1cc([C@H]2C[N@H+](C[C@H](O)COc3ccc(C#N)cc3)CC2(C)C)cn1 ZINC000568468362 568041475 /nfs/dbraw/zinc/04/14/75/568041475.db2.gz VYEUQALHOKRWCE-PKOBYXMFSA-N 1 0 354.454 2.157 20 30 FEEDRO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)n1cc(CNCc2ccccc2)nn1 ZINC000603177132 568068181 /nfs/dbraw/zinc/06/81/81/568068181.db2.gz RFWBAGXCACBIBT-DNVCBOLYSA-N 1 0 354.458 2.183 20 30 FEEDRO CC(C)[NH+]1CCC(NC(=O)Cn2cc(CC3(C#N)CCCCC3)nn2)CC1 ZINC000603216126 568076682 /nfs/dbraw/zinc/07/66/82/568076682.db2.gz BWXWUUFFMVZCTR-UHFFFAOYSA-N 1 0 372.517 2.284 20 30 FEEDRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)C1 ZINC000568609522 568089549 /nfs/dbraw/zinc/08/95/49/568089549.db2.gz ANMDBCCRVBYPMY-PMRDFSHISA-N 1 0 357.458 2.022 20 30 FEEDRO CC(C)[NH2+]C1(CO)CCN(c2cc(C#N)c(Br)cn2)CC1 ZINC000603388115 568094692 /nfs/dbraw/zinc/09/46/92/568094692.db2.gz JDJNAQWUOXIQJG-UHFFFAOYSA-N 1 0 353.264 2.045 20 30 FEEDRO COc1ccc(OC2CCN(CC(=O)N[C@@](C)(C#N)C3CC3)CC2)cc1 ZINC000603854612 568167649 /nfs/dbraw/zinc/16/76/49/568167649.db2.gz HMXKQKJOCMLYEG-FQEVSTJZSA-N 1 0 357.454 2.347 20 30 FEEDRO N#Cc1ccccc1-c1ccc(CN2C(=O)NC3(CC[NH2+]CC3)C2=O)cc1 ZINC000568980651 568259022 /nfs/dbraw/zinc/25/90/22/568259022.db2.gz JBXXMAPXFJSORQ-UHFFFAOYSA-N 1 0 360.417 2.399 20 30 FEEDRO C[NH+]1CCN(c2ccc(CNc3ccc(C#N)c([N+](=O)[O-])c3)cn2)CC1 ZINC000569045979 568275873 /nfs/dbraw/zinc/27/58/73/568275873.db2.gz IWZZXSGZCZKUNE-UHFFFAOYSA-N 1 0 352.398 2.225 20 30 FEEDRO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCC(C(N)=O)(c2ccccc2)CC1 ZINC000604392384 568282783 /nfs/dbraw/zinc/28/27/83/568282783.db2.gz UNCNQFWYLQCNGF-KRWDZBQOSA-N 1 0 355.482 2.095 20 30 FEEDRO CCCCNC(=O)[C@H]1CCC[N@H+](C[C@@H](O)COc2ccc(CC#N)cc2)C1 ZINC000604522124 568305142 /nfs/dbraw/zinc/30/51/42/568305142.db2.gz PPCSUGZUBPJMGB-RBUKOAKNSA-N 1 0 373.497 2.121 20 30 FEEDRO N#Cc1ccc(C[NH2+][C@@H](CC(N)=O)C2CCOCC2)c(Br)c1 ZINC000181980570 568328865 /nfs/dbraw/zinc/32/88/65/568328865.db2.gz LVYFLVHGJOUHQU-HNNXBMFYSA-N 1 0 366.259 2.081 20 30 FEEDRO C[NH+]1CCN(c2cccc(-c3noc(Cc4ccc(C#N)cc4)n3)n2)CC1 ZINC000569297712 568344265 /nfs/dbraw/zinc/34/42/65/568344265.db2.gz AKCQIQAOBKXWMY-UHFFFAOYSA-N 1 0 360.421 2.346 20 30 FEEDRO COc1cc(-c2nn[nH]n2)ccc1OCC[N@H+](C)Cc1ccc(C#N)cc1 ZINC000737031841 598982633 /nfs/dbraw/zinc/98/26/33/598982633.db2.gz HVDSCNPCCFODFK-UHFFFAOYSA-N 1 0 364.409 2.258 20 30 FEEDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1S(=O)(=O)Cc1cc(C#N)ccc1F ZINC000556818671 674422216 /nfs/dbraw/zinc/42/22/16/674422216.db2.gz JFXZUYRKIMWCOE-BBRMVZONSA-N 1 0 351.447 2.086 20 30 FEEDRO CC[NH+](CC)CC#C[C@@H](C)OC(=O)C=Cc1ccccc1-c1nn[nH]n1 ZINC000821182535 607322628 /nfs/dbraw/zinc/32/26/28/607322628.db2.gz WCOJQSQLVXPAGS-RDRICISKSA-N 1 0 353.426 2.157 20 30 FEEDRO CC[NH+](CC)CC#C[C@H](C)OC(=O)C=Cc1ccccc1-c1nn[nH]n1 ZINC000821182534 607322641 /nfs/dbraw/zinc/32/26/41/607322641.db2.gz WCOJQSQLVXPAGS-LLNWESEBSA-N 1 0 353.426 2.157 20 30 FEEDRO CC(C)[C@H]1CCc2c(C#N)c(NC(=O)C(=O)N(C)CCC[NH3+])sc2C1 ZINC000557002677 674432123 /nfs/dbraw/zinc/43/21/23/674432123.db2.gz DCWCLJFDHHMJRE-LBPRGKRZSA-N 1 0 362.499 2.126 20 30 FEEDRO CC(=NNC(=S)NCCC[NH+](C)C)c1cc2c(C)nn(C)c2s1 ZINC000807972566 674436396 /nfs/dbraw/zinc/43/63/96/674436396.db2.gz NBBRPYPQTISGTP-UHFFFAOYSA-N 1 0 352.533 2.083 20 30 FEEDRO C=CC[NH+]1CCC(Nc2c(-c3nn[nH]n3)cnc3c(F)ccc(F)c32)CC1 ZINC000819750989 599540885 /nfs/dbraw/zinc/54/08/85/599540885.db2.gz LJOSSZLMYJBAFE-UHFFFAOYSA-N 1 0 371.395 2.177 20 30 FEEDRO c1cncc(CON=C2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000826525487 607533112 /nfs/dbraw/zinc/53/31/12/607533112.db2.gz MMINNGCDENMXAH-UHFFFAOYSA-N 1 0 363.425 2.430 20 30 FEEDRO CC(C)[N@H+](CCOCCO)CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000558868952 674518893 /nfs/dbraw/zinc/51/88/93/674518893.db2.gz WOYTZLKEWJIKHQ-UHFFFAOYSA-N 1 0 353.850 2.260 20 30 FEEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]C1CCN(S(=O)(=O)C(F)(F)F)CC1)CC2 ZINC000810222686 674537254 /nfs/dbraw/zinc/53/72/54/674537254.db2.gz YZUGYDFOUDXTJP-OAHLLOKOSA-N 1 0 373.400 2.449 20 30 FEEDRO C#CC[N@H+](Cc1ccc(F)cc1)C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000819701697 606888605 /nfs/dbraw/zinc/88/86/05/606888605.db2.gz LEDKYZCZHYHFJL-GOSISDBHSA-N 1 0 351.385 2.175 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)c1cccc(F)c1-c1nn[nH]n1 ZINC000821586211 607114071 /nfs/dbraw/zinc/11/40/71/607114071.db2.gz OECXUNPJULHYRZ-UHFFFAOYSA-N 1 0 365.416 2.446 20 30 FEEDRO N#Cc1ccc(OC2CCC([NH2+]Cc3ccc(-c4nn[nH]n4)o3)CC2)nc1 ZINC000826386084 608570309 /nfs/dbraw/zinc/57/03/09/608570309.db2.gz OFZWIDMOMUKFME-UHFFFAOYSA-N 1 0 365.397 2.206 20 30 FEEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2=O)cc1 ZINC000826385651 609413400 /nfs/dbraw/zinc/41/34/00/609413400.db2.gz VSGKRBCTLJUWMZ-GOSISDBHSA-N 1 0 373.420 2.024 20 30 FEEDRO CC(=NOC/C=C/Cl)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000811669862 674619573 /nfs/dbraw/zinc/61/95/73/674619573.db2.gz VVDFFZQZMPHHIG-TXLKWUOASA-N 1 0 373.906 2.410 20 30 FEEDRO C#C[C@H](NC(=O)NCCN1CCC([NH+](C)C)CC1)c1ccc(Cl)cc1 ZINC000812180813 674654514 /nfs/dbraw/zinc/65/45/14/674654514.db2.gz CGTCGGNBSZANPP-SFHVURJKSA-N 1 0 362.905 2.340 20 30 FEEDRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]CCC(=O)Nc3sccc3C#N)[C@@H]2C1 ZINC000561787914 674699432 /nfs/dbraw/zinc/69/94/32/674699432.db2.gz QBGPNUHCRIEKKN-XHSDSOJGSA-N 1 0 360.483 2.185 20 30 FEEDRO N#Cc1ccc(N2CCC[C@@H](N3CCO[C@]4(CCSC4)C3)C2=O)cc1 ZINC000563067751 674843229 /nfs/dbraw/zinc/84/32/29/674843229.db2.gz IXURAMRCWYAIOZ-IEBWSBKVSA-N 1 0 357.479 2.262 20 30 FEEDRO N#Cc1ccc(NC(=O)C[N@@H+]2C[C@H](O)C[C@@H]2[C@H]2CCCOC2)cc1Cl ZINC000564289258 674990931 /nfs/dbraw/zinc/99/09/31/674990931.db2.gz YMRQJGXHDHTQGB-YSVLISHTSA-N 1 0 363.845 2.012 20 30 FEEDRO CC(C)[N@H+](C)C[C@H](C)NS(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000564357434 675000454 /nfs/dbraw/zinc/00/04/54/675000454.db2.gz QHOGCKHYZVQSNE-NSHDSACASA-N 1 0 374.304 2.328 20 30 FEEDRO CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)CCN1c1nc(C#N)c(Cl)s1 ZINC001048710936 675013616 /nfs/dbraw/zinc/01/36/16/675013616.db2.gz MOFTYGVIGLIHBA-GMXVVIOVSA-N 1 0 367.906 2.093 20 30 FEEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+][C@@H](CO)CC2CCCCC2)c1 ZINC000564977793 675084137 /nfs/dbraw/zinc/08/41/37/675084137.db2.gz ZLSFFBKFRSQUNB-QGZVFWFLSA-N 1 0 350.484 2.253 20 30 FEEDRO C[NH+]=C(NCc1cc(F)ccc1Br)N[C@@H]1CCN(C2CC2)C1 ZINC000083093820 670654204 /nfs/dbraw/zinc/65/42/04/670654204.db2.gz QFTQAPFDZUPCRY-CYBMUJFWSA-N 1 0 369.282 2.490 20 30 FEEDRO CS(=O)(=O)N1CCC([NH2+]CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000090180597 670711102 /nfs/dbraw/zinc/71/11/02/670711102.db2.gz CJRRVGHTUDHAFB-UHFFFAOYSA-N 1 0 360.401 2.071 20 30 FEEDRO N#Cc1ccc(CS(=O)(=O)N2CC[C@H]([NH+]3CCCCC3)C2)c(F)c1 ZINC000572429093 671000517 /nfs/dbraw/zinc/00/05/17/671000517.db2.gz LGMOLLXALLTXND-INIZCTEOSA-N 1 0 351.447 2.087 20 30 FEEDRO C=CC[C@H](CO)C[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000572879472 671055586 /nfs/dbraw/zinc/05/55/86/671055586.db2.gz IRCNENKONDXNJS-SMDDNHRTSA-N 1 0 362.239 2.102 20 30 FEEDRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)CSCc3ccc(C#N)cc3)[C@H]2C1 ZINC000573991547 671189910 /nfs/dbraw/zinc/18/99/10/671189910.db2.gz OFVIKYGBGLWRSH-ZWKOTPCHSA-N 1 0 359.495 2.113 20 30 FEEDRO CN(CCC#N)C[C@@H](O)C[NH2+]Cc1cccc(Br)c1Cl ZINC000574071686 671199035 /nfs/dbraw/zinc/19/90/35/671199035.db2.gz JLUQNOCHCVAYTC-LBPRGKRZSA-N 1 0 360.683 2.398 20 30 FEEDRO CSC1(CNC(=O)NCCOc2ccc(C#N)cc2)CC[NH+](C)CC1 ZINC000574265952 671219895 /nfs/dbraw/zinc/21/98/95/671219895.db2.gz OMYSUIPIRMKYCO-UHFFFAOYSA-N 1 0 362.499 2.064 20 30 FEEDRO CCO[C@H](C[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)c1ccccc1 ZINC000574803365 671278116 /nfs/dbraw/zinc/27/81/16/671278116.db2.gz GGWZSWKCMCYUEH-QGZVFWFLSA-N 1 0 359.451 2.094 20 30 FEEDRO CC(C)[C@@H]1C[C@@H](C[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)CCO1 ZINC000575053660 671295688 /nfs/dbraw/zinc/29/56/88/671295688.db2.gz UBSCYZTVLUHABI-WMZOPIPTSA-N 1 0 350.484 2.373 20 30 FEEDRO CN(C)[C@@H](C[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)c1ccsc1 ZINC000576762412 671392551 /nfs/dbraw/zinc/39/25/51/671392551.db2.gz OLCYIFCQFQZEFU-KRWDZBQOSA-N 1 0 363.508 2.286 20 30 FEEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000609438306 675922224 /nfs/dbraw/zinc/92/22/24/675922224.db2.gz BQLXYUSXWSEKTD-UONOGXRCSA-N 1 0 360.483 2.230 20 30 FEEDRO COCC[N@H+](C)CCCC1CCN(S(=O)(=O)CCC(C)(C)C#N)CC1 ZINC000579529046 671742510 /nfs/dbraw/zinc/74/25/10/671742510.db2.gz PBJQHRDLBYSJOZ-UHFFFAOYSA-N 1 0 373.563 2.326 20 30 FEEDRO C[C@H](C[NH+]1CCC(C)CC1)NS(=O)(=O)Cc1ccc(C#N)cc1F ZINC000580659936 671823400 /nfs/dbraw/zinc/82/34/00/671823400.db2.gz LZHYVQHJKTTZDQ-CQSZACIVSA-N 1 0 353.463 2.237 20 30 FEEDRO CC(C)NC(=[NH2+])NCc1ccc(Br)cc1N1CCOCC1 ZINC000119555596 671902574 /nfs/dbraw/zinc/90/25/74/671902574.db2.gz IJYCUFVUKMTHQX-UHFFFAOYSA-N 1 0 355.280 2.098 20 30 FEEDRO N#Cc1ccc(OC[C@@H](O)C[NH2+]C[C@H](CO)c2ccccc2Cl)cc1 ZINC000581824224 671938255 /nfs/dbraw/zinc/93/82/55/671938255.db2.gz CGXNSRULKAICBG-CVEARBPZSA-N 1 0 360.841 2.317 20 30 FEEDRO CC[NH+](CC)CC#C[C@H](C)OC(=O)c1ccc(C)c(S(C)(=O)=O)c1 ZINC000121702319 671955170 /nfs/dbraw/zinc/95/51/70/671955170.db2.gz ATKXPTZNVATHFV-HNNXBMFYSA-N 1 0 351.468 2.289 20 30 FEEDRO C[N@H+](Cc1ccccc1)[C@H]1CCN(S(=O)(=O)c2cccc(C#N)c2)C1 ZINC000610267899 675963499 /nfs/dbraw/zinc/96/34/99/675963499.db2.gz PFYBDARIHFMQGK-SFHVURJKSA-N 1 0 355.463 2.453 20 30 FEEDRO N#Cc1ncc(NC(=O)NCC2([NH+]3CCCC3)CCOCC2)cc1Cl ZINC000582404125 671999191 /nfs/dbraw/zinc/99/91/91/671999191.db2.gz XPSFBJNVCVGQQP-UHFFFAOYSA-N 1 0 363.849 2.373 20 30 FEEDRO CN(C1CCC([NH3+])CC1)S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000124884002 672003552 /nfs/dbraw/zinc/00/35/52/672003552.db2.gz HQLOWZRUZBYKKI-UHFFFAOYSA-N 1 0 361.389 2.467 20 30 FEEDRO C=C(Br)CNC(=[NH+]CC)N1CCN([C@@H](C)C(F)(F)F)CC1 ZINC000128217866 672046514 /nfs/dbraw/zinc/04/65/14/672046514.db2.gz XMURCJJLZCLHBY-NSHDSACASA-N 1 0 371.245 2.429 20 30 FEEDRO Cc1cccc(NC(=[NH2+])NCCNS(=O)(=O)c2ccc(Cl)s2)c1 ZINC000130678135 672078070 /nfs/dbraw/zinc/07/80/70/672078070.db2.gz ODMVPQVPGVJUAN-UHFFFAOYSA-N 1 0 372.903 2.415 20 30 FEEDRO CC[C@H](CS(=O)(=O)c1ccccc1)NC(=[NH2+])NCCc1cccs1 ZINC000130876833 672080627 /nfs/dbraw/zinc/08/06/27/672080627.db2.gz VWEMCQJKUXPDCE-CQSZACIVSA-N 1 0 365.524 2.447 20 30 FEEDRO [NH2+]=C(NCCCO[C@@H]1CCOC1)NCc1ccc(OC(F)(F)F)cc1 ZINC000134053025 672119071 /nfs/dbraw/zinc/11/90/71/672119071.db2.gz VQYPAFRPAJKZDF-CQSZACIVSA-N 1 0 361.364 2.185 20 30 FEEDRO Cc1cc(C)cc(NC(=[NH2+])NCCN(C)S(=O)(=O)c2cccs2)c1 ZINC000151407699 672162211 /nfs/dbraw/zinc/16/22/11/672162211.db2.gz WOHBSEBDUGSRDD-UHFFFAOYSA-N 1 0 366.512 2.412 20 30 FEEDRO N#CC1(CS(=O)(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC000584689346 672205943 /nfs/dbraw/zinc/20/59/43/672205943.db2.gz JDPQNJTVGCDCGV-ZWKOTPCHSA-N 1 0 359.495 2.074 20 30 FEEDRO CC[C@@H](C)[NH+]=C(NCCc1ccco1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000154487740 672217448 /nfs/dbraw/zinc/21/74/48/672217448.db2.gz XVTIEWJAIBXIKC-CQSZACIVSA-N 1 0 355.504 2.075 20 30 FEEDRO C=CCc1cc(C[NH+]2CCC(NS(=O)(=O)CC)CC2)c(O)c(OC)c1 ZINC000178856361 672395873 /nfs/dbraw/zinc/39/58/73/672395873.db2.gz IYOUHSINQPAIHX-UHFFFAOYSA-N 1 0 368.499 2.033 20 30 FEEDRO C=CC[C@@H](C)[NH2+][C@@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000180947257 672420098 /nfs/dbraw/zinc/42/00/98/672420098.db2.gz CKPRRLOSWXTXBX-OLZOCXBDSA-N 1 0 360.501 2.027 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@H](C3(C)OCCO3)C2)CC1 ZINC000182518976 672446602 /nfs/dbraw/zinc/44/66/02/672446602.db2.gz IKKOXMOKVWKWQZ-INIZCTEOSA-N 1 0 351.491 2.212 20 30 FEEDRO N#C[C@H]1CCC[C@H]([NH2+]CC2CCN(S(=O)(=O)C(F)(F)F)CC2)C1 ZINC000185825623 672535388 /nfs/dbraw/zinc/53/53/88/672535388.db2.gz CWQOWCXZMJXMPJ-STQMWFEESA-N 1 0 353.410 2.220 20 30 FEEDRO CN(CCC#N)C[C@@H](O)C[NH+]1CC(Cc2cccc(C(F)(F)F)c2)C1 ZINC000591241519 672661264 /nfs/dbraw/zinc/66/12/64/672661264.db2.gz XNLKJFUFMFSYLN-QGZVFWFLSA-N 1 0 355.404 2.386 20 30 FEEDRO CC1([NH3+])CCN(C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)CC1 ZINC000591297787 672667122 /nfs/dbraw/zinc/66/71/22/672667122.db2.gz UYFOHZXKPDOABP-UHFFFAOYSA-N 1 0 358.833 2.742 20 30 FEEDRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1c1c(C#N)cnc2c(Cl)cccc21 ZINC000591984336 672729033 /nfs/dbraw/zinc/72/90/33/672729033.db2.gz DZPMMHRSALQEIO-GFCCVEGCSA-N 1 0 357.845 2.316 20 30 FEEDRO N#CC[C@@]1(O)CC[N@H+](CCC(=O)Nc2cccc(Br)c2)C1 ZINC000592152554 672764838 /nfs/dbraw/zinc/76/48/38/672764838.db2.gz ZTEMPVLWUSLMSK-OAHLLOKOSA-N 1 0 352.232 2.128 20 30 FEEDRO C#CCOc1ccc(Br)cc1C[NH2+]CCCC(=O)N(C)C ZINC000237135862 672806883 /nfs/dbraw/zinc/80/68/83/672806883.db2.gz JEEMPPUFIWNWPL-UHFFFAOYSA-N 1 0 353.260 2.419 20 30 FEEDRO C[C@@H]1[C@H](C(=O)N2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)CC[N@@H+]1C ZINC000592796321 672839900 /nfs/dbraw/zinc/83/99/00/672839900.db2.gz YQTLEEGWUWUEMW-OLMNPRSZSA-N 1 0 360.889 2.389 20 30 FEEDRO CCc1nsc(N2CCN(C(NCCc3ccsc3)=[NH+]C)CC2)n1 ZINC000261764546 672903003 /nfs/dbraw/zinc/90/30/03/672903003.db2.gz NIZXTUMIHQLTMX-UHFFFAOYSA-N 1 0 364.544 2.102 20 30 FEEDRO C[NH+]=C(NC[C@@H](C)c1ccc(C)cc1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261940463 672905334 /nfs/dbraw/zinc/90/53/34/672905334.db2.gz DLVLOIJICPGCOW-OAHLLOKOSA-N 1 0 351.516 2.183 20 30 FEEDRO CC[NH+]=C(NCCSc1ccccc1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261933730 672905621 /nfs/dbraw/zinc/90/56/21/672905621.db2.gz BXQNTLNEVINOSN-UHFFFAOYSA-N 1 0 369.556 2.253 20 30 FEEDRO CN(C)C(=O)CNC(=[NH+]C1CC1)N(C)Cc1ccc(Br)s1 ZINC000262160531 672909596 /nfs/dbraw/zinc/90/95/96/672909596.db2.gz BVZHUWIQBCMNDZ-UHFFFAOYSA-N 1 0 373.320 2.139 20 30 FEEDRO [NH2+]=C(NCc1cccc(C(F)(F)F)c1)NC[C@H]1CCCCS1(=O)=O ZINC000262175238 672910178 /nfs/dbraw/zinc/91/01/78/672910178.db2.gz CZJQPRVYLSBIAP-CYBMUJFWSA-N 1 0 363.405 2.077 20 30 FEEDRO [NH2+]=C(NCc1ccc2sccc2c1)N1CCN(c2ncccn2)CC1 ZINC000262378913 672914287 /nfs/dbraw/zinc/91/42/87/672914287.db2.gz NXKKGYMQAQXUNW-UHFFFAOYSA-N 1 0 352.467 2.328 20 30 FEEDRO CN(Cc1ccco1)C(NC[C@H]1CCS(=O)(=O)C1)=[NH+]C1CCCC1 ZINC000262450503 672916015 /nfs/dbraw/zinc/91/60/15/672916015.db2.gz VUZCWRFYMGUIFZ-CQSZACIVSA-N 1 0 353.488 2.034 20 30 FEEDRO CCN(CC)S(=O)(=O)c1ccc(CNC(=[NH2+])N2CCCCCC2)s1 ZINC000262541217 672917491 /nfs/dbraw/zinc/91/74/91/672917491.db2.gz RDDVUSCTGNWGKH-UHFFFAOYSA-N 1 0 372.560 2.469 20 30 FEEDRO N#Cc1cc(Br)ccc1CC(=O)N1CC[NH+](CC2CC2)CC1 ZINC000593415354 672920605 /nfs/dbraw/zinc/92/06/05/672920605.db2.gz QFNJJPRHMYBSNP-UHFFFAOYSA-N 1 0 362.271 2.417 20 30 FEEDRO CC[N@H+](CCNC(=O)Cc1ccc(Br)cc1C#N)C1CC1 ZINC000593449322 672925046 /nfs/dbraw/zinc/92/50/46/672925046.db2.gz ACCAGCHLPIZTPB-UHFFFAOYSA-N 1 0 350.260 2.464 20 30 FEEDRO Cn1cc(Cl)c(CNC(=[NH2+])N2CCN(c3ccc(Cl)cc3)CC2)n1 ZINC000263106328 672927616 /nfs/dbraw/zinc/92/76/16/672927616.db2.gz KOYBUOXLESIAHB-UHFFFAOYSA-N 1 0 367.284 2.364 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1C(F)(F)F ZINC000593733725 672984868 /nfs/dbraw/zinc/98/48/68/672984868.db2.gz HTRMXOXRBXGGJA-WFASDCNBSA-N 1 0 373.400 2.327 20 30 FEEDRO CCCCCCNC(=[NH2+])NCCNS(=O)(=O)c1cccc(Cl)c1 ZINC000303775010 673017590 /nfs/dbraw/zinc/01/75/90/673017590.db2.gz GMGRWPIYJIQZRB-UHFFFAOYSA-N 1 0 360.911 2.103 20 30 FEEDRO [NH2+]=C(NCCc1cccs1)NC[C@@H](c1ccccc1)N1CCOCC1 ZINC000303881360 673018136 /nfs/dbraw/zinc/01/81/36/673018136.db2.gz HQNCJUCIPZHAEL-SFHVURJKSA-N 1 0 358.511 2.268 20 30 FEEDRO CNS(=O)(=O)c1cccc(CNC(=[NH2+])N[C@@H](C)CCCC(C)C)c1 ZINC000303890243 673018448 /nfs/dbraw/zinc/01/84/48/673018448.db2.gz MMKMMPSHWRZQOA-AWEZNQCLSA-N 1 0 354.520 2.214 20 30 FEEDRO C[NH+]=C(NCCN1CCOCC1)NCC(C)(C)c1cccc(Cl)c1 ZINC000303987829 673019616 /nfs/dbraw/zinc/01/96/16/673019616.db2.gz VWZJKXAEKHWBAS-UHFFFAOYSA-N 1 0 352.910 2.115 20 30 FEEDRO C[C@H](NC(=[NH2+])NCCNC(=O)c1ccn[nH]1)c1ccc(Cl)cc1Cl ZINC000305825943 673021954 /nfs/dbraw/zinc/02/19/54/673021954.db2.gz CKDVXZIYHWLWNY-VIFPVBQESA-N 1 0 369.256 2.112 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)N[C@@H](C[C@@H]1CCCO1)C(F)(F)F ZINC000594180377 673041027 /nfs/dbraw/zinc/04/10/27/673041027.db2.gz ZNBXCNLEERXBDC-KBPBESRZSA-N 1 0 364.412 2.363 20 30 FEEDRO Cc1nc(CN2CCN(C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@@H]34)CC2)cs1 ZINC000328657477 673064379 /nfs/dbraw/zinc/06/43/79/673064379.db2.gz PBKXYNSXSSUACF-SJORKVTESA-N 1 0 363.531 2.110 20 30 FEEDRO COCCNC(=O)c1ccc(NC(=O)[C@@H]([NH3+])CCCCC#N)cc1Cl ZINC000594429293 673070743 /nfs/dbraw/zinc/07/07/43/673070743.db2.gz SGJDYFFQZQRXDR-HNNXBMFYSA-N 1 0 366.849 2.066 20 30 FEEDRO COc1ccc(CNC(=O)[C@@H]([NH3+])CCCCC#N)cc1Br ZINC000594439832 673071872 /nfs/dbraw/zinc/07/18/72/673071872.db2.gz RCNJJDFKPATRHC-ZDUSSCGKSA-N 1 0 354.248 2.485 20 30 FEEDRO CC(C)CS(=O)(=O)N1CCC(NC(=O)[C@@H]2CCC[N@@H+]2C2CC2)CC1 ZINC000330246522 673087904 /nfs/dbraw/zinc/08/79/04/673087904.db2.gz YGWPGZHITKPLFJ-INIZCTEOSA-N 1 0 357.520 2.020 20 30 FEEDRO CC[NH+]1CCC(CCNC(=O)N[C@@H]2CCOC3(CCOCC3)C2)CC1 ZINC000330252043 673088083 /nfs/dbraw/zinc/08/80/83/673088083.db2.gz IDIJLDUTCIZPLV-QGZVFWFLSA-N 1 0 353.507 2.340 20 30 FEEDRO N#Cc1ccc(OC2CCN(C(=O)N[C@@H](C[NH3+])C(F)(F)F)CC2)cc1 ZINC000594524576 673095025 /nfs/dbraw/zinc/09/50/25/673095025.db2.gz KPYJQGQMOVBCSG-AWEZNQCLSA-N 1 0 356.348 2.001 20 30 FEEDRO CC(C)(C)[N@@H+]1CC[C@H](CNS(=O)(=O)Cc2ccc(F)cc2C#N)C1 ZINC000594788103 673142370 /nfs/dbraw/zinc/14/23/70/673142370.db2.gz DVYSESRJANRDNO-CYBMUJFWSA-N 1 0 353.463 2.237 20 30 FEEDRO C[C@H]1CC[C@@H]([NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)CS1(=O)=O ZINC000594973753 673181583 /nfs/dbraw/zinc/18/15/83/673181583.db2.gz DXJMDDPOCOGGFJ-SUMWQHHRSA-N 1 0 358.467 2.014 20 30 FEEDRO C[C@H](CCNC(=O)C(=O)Nc1ccccc1SC[C@@H](C)C#N)[NH+](C)C ZINC000595125881 673198043 /nfs/dbraw/zinc/19/80/43/673198043.db2.gz RLUKAWSVPKLUSX-UONOGXRCSA-N 1 0 362.499 2.333 20 30 FEEDRO N#CCCC[C@@H]([NH3+])C(=O)N1CCOC[C@H]1c1cccc(Br)c1 ZINC000595256910 673214566 /nfs/dbraw/zinc/21/45/66/673214566.db2.gz FFZQOBBNHICSQA-CABCVRRESA-N 1 0 366.259 2.370 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N2CCN(c3ccsc3C#N)CC2)CC1 ZINC000595516178 673260014 /nfs/dbraw/zinc/26/00/14/673260014.db2.gz OULGITHILMQXEA-UHFFFAOYSA-N 1 0 359.499 2.102 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccc(C)c(NS(C)(=O)=O)c2)CC1 ZINC000730125063 673263424 /nfs/dbraw/zinc/26/34/24/673263424.db2.gz KYNJFKKRLSOPKC-UHFFFAOYSA-N 1 0 366.487 2.138 20 30 FEEDRO COc1ccc([C@H](C[NH3+])CN2CCN(c3ccsc3C#N)CC2)cc1 ZINC000595902082 673336908 /nfs/dbraw/zinc/33/69/08/673336908.db2.gz GFURDXWWFJHKAU-MRXNPFEDSA-N 1 0 356.495 2.493 20 30 FEEDRO N#Cc1cc(Br)cnc1N1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000596266831 673372811 /nfs/dbraw/zinc/37/28/11/673372811.db2.gz WTPHIYIGDYJLKQ-UHFFFAOYSA-N 1 0 365.275 2.047 20 30 FEEDRO C=CCCSCCNC(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000596722591 673407278 /nfs/dbraw/zinc/40/72/78/673407278.db2.gz WKNDYBWWPSDTGG-QZTJIDSGSA-N 1 0 368.591 2.496 20 30 FEEDRO CCNc1nc(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)cs1 ZINC000596972935 673431577 /nfs/dbraw/zinc/43/15/77/673431577.db2.gz HLUZVAUMSFMCOF-UHFFFAOYSA-N 1 0 357.483 2.651 20 30 FEEDRO C=CCCSCCNC(=O)C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000597165932 673453067 /nfs/dbraw/zinc/45/30/67/673453067.db2.gz XIBBDFAQTKJSPU-UHFFFAOYSA-N 1 0 355.548 2.183 20 30 FEEDRO C[NH+](C)[C@H](CNC(=O)C(=O)NCC1(C#N)CCCCC1)c1cccs1 ZINC000597181059 673454683 /nfs/dbraw/zinc/45/46/83/673454683.db2.gz SAPVAYJWDOIRIU-CQSZACIVSA-N 1 0 362.499 2.057 20 30 FEEDRO Cc1nnc(CC(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)s1 ZINC000597474249 673480996 /nfs/dbraw/zinc/48/09/96/673480996.db2.gz FFRKLFPTUHHMBJ-UHFFFAOYSA-N 1 0 355.467 2.064 20 30 FEEDRO CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+](C[C@H](O)CC(C)(C)C#N)C1 ZINC000598596479 673587548 /nfs/dbraw/zinc/58/75/48/673587548.db2.gz SCMJUTNAJRSKNU-UONOGXRCSA-N 1 0 363.424 2.410 20 30 FEEDRO Cc1cccc(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1C#N ZINC000599099394 673633022 /nfs/dbraw/zinc/63/30/22/673633022.db2.gz CGJRWCGRZXFJFB-AAEUAGOBSA-N 1 0 361.389 2.015 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)Cc2csc(-c3ccccn3)n2)CC1 ZINC000740736084 673651702 /nfs/dbraw/zinc/65/17/02/673651702.db2.gz CREMKZLIKZUCHK-UHFFFAOYSA-N 1 0 354.479 2.352 20 30 FEEDRO COCCN(Cc1scnc1C)C[C@@H](O)COc1ccccc1C#N ZINC000599397204 673669437 /nfs/dbraw/zinc/66/94/37/673669437.db2.gz WMUGOPUBPTVMKU-MRXNPFEDSA-N 1 0 361.467 2.212 20 30 FEEDRO C[N@H+](C[C@H](O)CC1(C#N)CCOCC1)[C@@H](CO)c1ccc(Cl)cc1 ZINC000599431660 673675450 /nfs/dbraw/zinc/67/54/50/673675450.db2.gz NBNXOGKCLDAIHO-SJORKVTESA-N 1 0 352.862 2.377 20 30 FEEDRO CC[N@@H+]1CCC(=NNS(=O)(=O)c2ccc(Br)cc2)[C@H](C)C1 ZINC000741451728 673687608 /nfs/dbraw/zinc/68/76/08/673687608.db2.gz NPRQVEOEYQGQJX-LLVKDONJSA-N 1 0 374.304 2.445 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)c2cnnn2-c2ccccc2Cl)CC1 ZINC000743489863 673761492 /nfs/dbraw/zinc/76/14/92/673761492.db2.gz LADIOLSBYDRQLB-UHFFFAOYSA-N 1 0 357.845 2.138 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)c2ccc(-n3cc[nH]c3=S)cc2)CC1 ZINC000743492656 673761768 /nfs/dbraw/zinc/76/17/68/673761768.db2.gz YLWXKIUXKIHJCG-UHFFFAOYSA-N 1 0 354.479 2.379 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)c2ccnc(OCC(F)(F)F)c2)CC1 ZINC000743494066 673761837 /nfs/dbraw/zinc/76/18/37/673761837.db2.gz FJGXEUBJJGBJFF-UHFFFAOYSA-N 1 0 355.360 2.240 20 30 FEEDRO C[C@@H](C[NH2+]C[C@@H](O)CC1(C#N)CCOCC1)N1CCc2sccc2C1 ZINC000600717360 673793937 /nfs/dbraw/zinc/79/39/37/673793937.db2.gz KOUXPOUNMHYCNQ-RDJZCZTQSA-N 1 0 363.527 2.156 20 30 FEEDRO N#CC1(C[C@H](O)C[NH2+]CCN2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000600725235 673794798 /nfs/dbraw/zinc/79/47/98/673794798.db2.gz DTUWLYHZIXSDTH-SFHVURJKSA-N 1 0 362.905 2.106 20 30 FEEDRO N#CC1(C[C@@H](O)C[NH2+]Cc2cc(Br)c3c(c2)OCCO3)CC1 ZINC000600723946 673794875 /nfs/dbraw/zinc/79/48/75/673794875.db2.gz ZYIJRGJZVJPJLP-GFCCVEGCSA-N 1 0 367.243 2.365 20 30 FEEDRO CN1CCO[C@H]([C@@H]([NH2+]C[C@H](O)CC2(C#N)CC2)c2ccc(Cl)cc2)C1 ZINC000600731622 673795057 /nfs/dbraw/zinc/79/50/57/673795057.db2.gz NJKHNSGXNPPGMB-SQNIBIBYSA-N 1 0 363.889 2.356 20 30 FEEDRO N#CC1(C[C@H](O)C[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])CCOCC1 ZINC000600731289 673795227 /nfs/dbraw/zinc/79/52/27/673795227.db2.gz LDQXTDUTSZDCKD-HNNXBMFYSA-N 1 0 367.833 2.452 20 30 FEEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)S(=O)(=O)C[C@@H]1CCC1(F)F ZINC000601321604 673842413 /nfs/dbraw/zinc/84/24/13/673842413.db2.gz PIZRHGBPXVKCOD-INIZCTEOSA-N 1 0 371.453 2.297 20 30 FEEDRO Cc1cc(F)cc(C#N)c1S(=O)(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000601405594 673856747 /nfs/dbraw/zinc/85/67/47/673856747.db2.gz XDVWXQYHGAVDGX-UHFFFAOYSA-N 1 0 351.447 2.159 20 30 FEEDRO C[C@H]1[C@@H]([NH+](C)C)CCN1S(=O)(=O)c1cc(Br)ccc1C#N ZINC000601419946 673859393 /nfs/dbraw/zinc/85/93/93/673859393.db2.gz BFQJSTDFWICIML-GWCFXTLKSA-N 1 0 372.288 2.034 20 30 FEEDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000601422577 673860069 /nfs/dbraw/zinc/86/00/69/673860069.db2.gz SWPIZEYKFQXVBI-YGRLFVJLSA-N 1 0 361.389 2.290 20 30 FEEDRO COc1ccc(C#N)cc1C[N@H+](CCN1CCOCC1)[C@H]1CCSC1 ZINC000602883272 673912884 /nfs/dbraw/zinc/91/28/84/673912884.db2.gz QHWAUPPWQCXRMY-SFHVURJKSA-N 1 0 361.511 2.207 20 30 FEEDRO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)n1cc([C@@H]2CCC[NH2+]C2)nn1 ZINC000603188926 673918590 /nfs/dbraw/zinc/91/85/90/673918590.db2.gz OAKBTHBETPEAQQ-DGCLKSJQSA-N 1 0 358.833 2.470 20 30 FEEDRO C=C[C@@H](CC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccccc1 ZINC000566293435 675201720 /nfs/dbraw/zinc/20/17/20/675201720.db2.gz SKXBUYPIEUFWEY-HOCLYGCPSA-N 1 0 355.404 2.299 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCOC[C@@H]1[C@H](C)NC(=O)OC(C)(C)C ZINC000818346326 675215692 /nfs/dbraw/zinc/21/56/92/675215692.db2.gz CGBFPMPRQFGNDD-SIRPWMCASA-N 1 0 354.491 2.485 20 30 FEEDRO C#CC[N@@H+](C)CCCNC(=O)[C@@H](C)NC(=O)c1cccc(Cl)c1Cl ZINC000818595691 675227249 /nfs/dbraw/zinc/22/72/49/675227249.db2.gz KBUNUGQUABJMCA-GFCCVEGCSA-N 1 0 370.280 2.183 20 30 FEEDRO C[NH+](C)[C@@H]1CCC[C@H]1NS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000615293355 676211054 /nfs/dbraw/zinc/21/10/54/676211054.db2.gz VRZQLMLABJAIGF-CHWSQXEVSA-N 1 0 361.389 2.338 20 30 FEEDRO C#CCNC(=O)CC[NH2+]C[C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000819195508 675268660 /nfs/dbraw/zinc/26/86/60/675268660.db2.gz DPTOMNJMDXZGFV-KDOFPFPSSA-N 1 0 351.853 2.201 20 30 FEEDRO CCS(=O)(=O)c1ccc(C[NH2+]C[C@@H](O)c2ccc(C#N)cc2)s1 ZINC000819273684 675276362 /nfs/dbraw/zinc/27/63/62/675276362.db2.gz FFWGJCPDFOOYEJ-OAHLLOKOSA-N 1 0 350.465 2.237 20 30 FEEDRO CN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)[C@H]1CCC[N@H+](C)C1 ZINC000819313668 675280345 /nfs/dbraw/zinc/28/03/45/675280345.db2.gz JKNLTSCNTCPMME-GJZGRUSLSA-N 1 0 352.479 2.126 20 30 FEEDRO C[NH+](C)C1(CNC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)CCC1 ZINC000819505278 675295074 /nfs/dbraw/zinc/29/50/74/675295074.db2.gz CKIAPGXLJNFHRC-AWEZNQCLSA-N 1 0 352.479 2.174 20 30 FEEDRO C#C[C@H](NC(=O)NC[C@@H]1CCC[N@H+]1CCCO)c1ccc(Cl)cc1F ZINC000820751203 675385190 /nfs/dbraw/zinc/38/51/90/675385190.db2.gz UVKGQNNGCAOWMO-YOEHRIQHSA-N 1 0 367.852 2.299 20 30 FEEDRO C#C[C@@H](CC)[NH2+]Cc1cc(Br)ccc1O[C@H](C)C(=O)NC ZINC000824363530 675597972 /nfs/dbraw/zinc/59/79/72/675597972.db2.gz FAOHRTWJYFWVGM-RISCZKNCSA-N 1 0 353.260 2.464 20 30 FEEDRO COc1ccc(C[NH2+]CCn2cc(Br)ccc2=O)cc1C#N ZINC000824542781 675609612 /nfs/dbraw/zinc/60/96/12/675609612.db2.gz AYWFGLQGQYMEIQ-UHFFFAOYSA-N 1 0 362.227 2.281 20 30 FEEDRO C#CCO[C@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000825838671 675670794 /nfs/dbraw/zinc/67/07/94/675670794.db2.gz FDYIFSJXAQKYCN-CJNGLKHVSA-N 1 0 354.372 2.434 20 30 FEEDRO N#CCc1cccc(S(=O)(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000619492384 676380993 /nfs/dbraw/zinc/38/09/93/676380993.db2.gz MQTCMELUYWUDKS-LPHOPBHVSA-N 1 0 359.495 2.390 20 30 FEEDRO C[NH+](C)C1(CNC(=O)NCc2ccc(C#N)c(Cl)c2)CCOCC1 ZINC000619758801 676393784 /nfs/dbraw/zinc/39/37/84/676393784.db2.gz LCJRLXKJKWBFDU-UHFFFAOYSA-N 1 0 350.850 2.122 20 30 FEEDRO COCC#CC[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000677480577 679682422 /nfs/dbraw/zinc/68/24/22/679682422.db2.gz ZYJWIWWNLMNJRN-CYBMUJFWSA-N 1 0 366.259 2.144 20 30 FEEDRO C=CCc1ccc(OC[C@@H](O)CN2CCO[C@@H](CCF)C2)c(OC)c1 ZINC000625999865 676682894 /nfs/dbraw/zinc/68/28/94/676682894.db2.gz DYAUHVMRULMKCD-IRXDYDNUSA-N 1 0 353.434 2.224 20 30 FEEDRO O=C(Nc1cccc(C#Cc2cccs2)c1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000677854063 679701140 /nfs/dbraw/zinc/70/11/40/679701140.db2.gz SKBDPNRGGCZJAL-IBGZPJMESA-N 1 0 351.475 2.476 20 30 FEEDRO C=CCc1ccccc1OC[C@H](O)C[NH2+][C@H]1CCN(CC(F)(F)F)C1 ZINC000644532477 677245279 /nfs/dbraw/zinc/24/52/79/677245279.db2.gz ULBGDZUQEPHPAR-JKSUJKDBSA-N 1 0 358.404 2.381 20 30 FEEDRO C=CC[C@@H]1CCC[N@@H+](CC(=O)NCC(=O)Nc2ccc(F)c(F)c2)C1 ZINC000661379522 678472568 /nfs/dbraw/zinc/47/25/68/678472568.db2.gz CYZURMQJIWCQPQ-CYBMUJFWSA-N 1 0 351.397 2.308 20 30 FEEDRO C=CCN1CCN(C[N@H+]2C[C@H](CNC(=O)OC(C)(C)C)C[C@H]2C)C1=O ZINC000840029912 680794041 /nfs/dbraw/zinc/79/40/41/680794041.db2.gz HLRQQCHWWKWFPC-CABCVRRESA-N 1 0 352.479 2.103 20 30 FEEDRO C=CC[C@]1(C(=O)N(CC)CC(=O)Nc2c(F)cccc2F)CCC[NH2+]1 ZINC000662441061 678621427 /nfs/dbraw/zinc/62/14/27/678621427.db2.gz HSJBBAJKOWYSDA-GOSISDBHSA-N 1 0 351.397 2.450 20 30 FEEDRO C=CC[C@@]1(C(=O)NCCc2cc(Cl)c3c(c2)OCCO3)CCC[NH2+]1 ZINC000662461169 678624599 /nfs/dbraw/zinc/62/45/99/678624599.db2.gz QLLZTOMXEYJPMV-SFHVURJKSA-N 1 0 350.846 2.468 20 30 FEEDRO C=CC[C@@]1(C(=O)Nc2ccc(NS(=O)(=O)CCC)cc2)CCC[NH2+]1 ZINC000662538719 678635880 /nfs/dbraw/zinc/63/58/80/678635880.db2.gz LXJKKEILGFJMEW-KRWDZBQOSA-N 1 0 351.472 2.475 20 30 FEEDRO C=CC[C@]1(C(=O)N[C@@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)cc2)CCC[NH2+]1 ZINC000662806065 678663540 /nfs/dbraw/zinc/66/35/40/678663540.db2.gz OHOSXUOGGSSMTC-HHXXYDBFSA-N 1 0 361.873 2.426 20 30 FEEDRO C=CCn1c(-c2cnccn2)nn(CN2CCC[C@H]([NH+](C)C)C2)c1=S ZINC000765011380 680827102 /nfs/dbraw/zinc/82/71/02/680827102.db2.gz KDEIPYFLIVEAOG-AWEZNQCLSA-N 1 0 359.503 2.041 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)CC[C@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000765346446 680839909 /nfs/dbraw/zinc/83/99/09/680839909.db2.gz JXQDUJPDXINZFR-HNNXBMFYSA-N 1 0 351.491 2.284 20 30 FEEDRO CC[C@@H](c1nnc(NC(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)s1)c1ccccc1 ZINC000841110425 680863849 /nfs/dbraw/zinc/86/38/49/680863849.db2.gz HVBGLCGCUOFCEX-MJBXVCDLSA-N 1 0 356.455 2.313 20 30 FEEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)Nc1ncc(Cc2ccc(F)c(F)c2)s1 ZINC000841018885 680860179 /nfs/dbraw/zinc/86/01/79/680860179.db2.gz YFCPDGDELCANBQ-QMTHXVAHSA-N 1 0 363.393 2.245 20 30 FEEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)Nc1cc(Cl)ccc1N1CCSCC1 ZINC000841092953 680862857 /nfs/dbraw/zinc/86/28/57/680862857.db2.gz NNRTXNZKORILJE-RISCZKNCSA-N 1 0 365.890 2.126 20 30 FEEDRO C[C@H](C(=O)N(C)CCC#N)[N@H+](C)CC(C)(C)CNC(=O)OC(C)(C)C ZINC000747842498 679906664 /nfs/dbraw/zinc/90/66/64/679906664.db2.gz GCPWXEPMTRJRFV-CQSZACIVSA-N 1 0 354.495 2.230 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCOC2CCC2)CC1(C)C ZINC000974586021 679960760 /nfs/dbraw/zinc/96/07/60/679960760.db2.gz CHJWOUWWXRIIME-FGTMMUONSA-N 1 0 350.503 2.363 20 30 FEEDRO C=CCC[N@@H+]1CC[C@@]2(NC(=O)[C@@H]3OCCO[C@@H]3C(F)(F)F)CCC[C@H]12 ZINC000991391846 680079946 /nfs/dbraw/zinc/07/99/46/680079946.db2.gz WMVHMVVKTRFAGV-FQLMCAECSA-N 1 0 362.392 2.022 20 30 FEEDRO CN(CCC#N)C(=O)CC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C1(C)C ZINC000832646088 680159323 /nfs/dbraw/zinc/15/93/23/680159323.db2.gz UEKVXUOMWOKBNX-AWEZNQCLSA-N 1 0 352.479 2.126 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCOC2CCC2)CC1(C)C ZINC000977326086 680160500 /nfs/dbraw/zinc/16/05/00/680160500.db2.gz KVLVQKJICLKZCA-KSZLIROESA-N 1 0 350.503 2.363 20 30 FEEDRO C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2OCCO[C@@H]2c2ccccc2)C1 ZINC001022225061 680203867 /nfs/dbraw/zinc/20/38/67/680203867.db2.gz VCVDWDKBVIZYLB-YYIAUSFCSA-N 1 0 350.846 2.132 20 30 FEEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)c1ccc(Br)cc1C(F)(F)F ZINC000834484784 680233386 /nfs/dbraw/zinc/23/33/86/680233386.db2.gz MYJHZHKOOCDIJD-RDDDGLTNSA-N 1 0 362.149 2.309 20 30 FEEDRO Cc1cc(SCC(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)c(C)cc1Br ZINC000834512353 680236805 /nfs/dbraw/zinc/23/68/05/680236805.db2.gz VFPDCAUQHZALMT-WCQYABFASA-N 1 0 368.300 2.386 20 30 FEEDRO Cc1cc(SCC(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)c(C)cc1Br ZINC000834512351 680236811 /nfs/dbraw/zinc/23/68/11/680236811.db2.gz VFPDCAUQHZALMT-AAEUAGOBSA-N 1 0 368.300 2.386 20 30 FEEDRO Cc1cc(SCC(=O)N[C@H]2C[NH2+]C[C@H]2C#N)c(C)cc1Br ZINC000834512354 680236826 /nfs/dbraw/zinc/23/68/26/680236826.db2.gz VFPDCAUQHZALMT-YPMHNXCESA-N 1 0 368.300 2.386 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCC2CCOCC2)C1 ZINC001022834488 680240996 /nfs/dbraw/zinc/24/09/96/680240996.db2.gz VUIXAICDSGTFEX-RDGPPVDQSA-N 1 0 350.503 2.411 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]CC2CCOCC2)C1 ZINC001023988502 680276607 /nfs/dbraw/zinc/27/66/07/680276607.db2.gz CRLLZOGLFANLTD-OTWHNJEPSA-N 1 0 350.503 2.222 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@@H](C[NH2+]Cc2nncs2)C1 ZINC001024191818 680283321 /nfs/dbraw/zinc/28/33/21/680283321.db2.gz DZCXKEPBOHXYDR-ZOBUZTSGSA-N 1 0 364.515 2.238 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1CCC1CCOCC1 ZINC001024661482 680298930 /nfs/dbraw/zinc/29/89/30/680298930.db2.gz GIKDMZNJJLIEIY-OTWHNJEPSA-N 1 0 350.503 2.365 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CC1CCOCC1 ZINC001024966867 680308136 /nfs/dbraw/zinc/30/81/36/680308136.db2.gz KJQLLEOWVPFRRD-QRVBRYPASA-N 1 0 350.503 2.365 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H]([NH2+]CC2CCOCC2)C(C)(C)C1 ZINC000996404205 680331862 /nfs/dbraw/zinc/33/18/62/680331862.db2.gz BOOCXHMNZWHDRK-KSZLIROESA-N 1 0 350.503 2.221 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([NH2+]Cc2nnc(CC)s2)CC1 ZINC000996600321 680336478 /nfs/dbraw/zinc/33/64/78/680336478.db2.gz IANXGHHFRFCCKP-CABCVRRESA-N 1 0 364.515 2.162 20 30 FEEDRO C=C(Br)C[NH2+]C1CCC(NC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)CC1 ZINC001026508430 680345194 /nfs/dbraw/zinc/34/51/94/680345194.db2.gz VSRBLVJGONCOOI-NWINJMCUSA-N 1 0 367.291 2.439 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([NH2+]Cc2ncc(Cl)s2)CC1 ZINC000997012604 680345486 /nfs/dbraw/zinc/34/54/86/680345486.db2.gz VDGAYDXVQWGFNZ-OLZOCXBDSA-N 1 0 355.891 2.468 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)C1CC[NH+](CCOC2CCC2)CC1 ZINC000997309902 680351734 /nfs/dbraw/zinc/35/17/34/680351734.db2.gz WLPYFPHPUYQIHD-LZQZEXGQSA-N 1 0 350.503 2.363 20 30 FEEDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(c2cccc(S(N)(=O)=O)c2C#N)C1 ZINC000754975362 680390955 /nfs/dbraw/zinc/39/09/55/680390955.db2.gz DYNPCICIUVKMPZ-ZNMIVQPWSA-N 1 0 362.499 2.047 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(C[N@@H+](C)Cc2snnc2C)CC1 ZINC001029998623 680396455 /nfs/dbraw/zinc/39/64/55/680396455.db2.gz ZOIFMCZDQNDLBM-CVEARBPZSA-N 1 0 364.515 2.108 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC1C[NH+](C[C@H](OC)C2CCC2)C1 ZINC001032040897 680411779 /nfs/dbraw/zinc/41/17/79/680411779.db2.gz ZLWNLADATCFGDK-FHWLQOOXSA-N 1 0 350.503 2.221 20 30 FEEDRO N#Cc1ccc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)s1 ZINC000999754159 680412358 /nfs/dbraw/zinc/41/23/58/680412358.db2.gz YDRBBYVEHVIBDO-XTENKEOPSA-N 1 0 357.479 2.124 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](CCC2CCOCC2)C1 ZINC001033497988 680424703 /nfs/dbraw/zinc/42/47/03/680424703.db2.gz QOJPLPWYZSJXMK-FHWLQOOXSA-N 1 0 350.503 2.317 20 30 FEEDRO C[NH+](C)CCCNC(=S)NN=Cc1c(C2CC2)nc2sccn12 ZINC000755721679 680430912 /nfs/dbraw/zinc/43/09/12/680430912.db2.gz KDKVOTWBWKJOFN-UHFFFAOYSA-N 1 0 350.517 2.023 20 30 FEEDRO C=C(Cl)C(C)(C)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+]1CCC[C@@H]1C)C2 ZINC001000470750 680433340 /nfs/dbraw/zinc/43/33/40/680433340.db2.gz XPHWSLMURUTJSN-UKMLZYKCSA-N 1 0 367.921 2.498 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)NCCc1ccccc1OC(F)(F)F ZINC000836359059 680457280 /nfs/dbraw/zinc/45/72/80/680457280.db2.gz RPBXJQSXPGVWPY-UHFFFAOYSA-N 1 0 357.376 2.382 20 30 FEEDRO C=C(Cl)C[N@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)CC2)C1 ZINC001039135156 680462056 /nfs/dbraw/zinc/46/20/56/680462056.db2.gz DWEDQNVYRRLPNT-BPQIPLTHSA-N 1 0 369.937 2.019 20 30 FEEDRO C#CC[N@@H+](C)CCCNC(=O)NCCc1ccc(OC)c(OC)c1Cl ZINC000836475256 680474509 /nfs/dbraw/zinc/47/45/09/680474509.db2.gz YZTBZZZKRCCAEM-UHFFFAOYSA-N 1 0 367.877 2.154 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@]2(CC[N@H+](CCc3ccns3)C2)C1 ZINC001041695654 680508208 /nfs/dbraw/zinc/50/82/08/680508208.db2.gz DLDGNWIXWIAOMM-AOIWGVFYSA-N 1 0 361.511 2.201 20 30 FEEDRO C=C(Br)CN1CCC(NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001002858796 680511779 /nfs/dbraw/zinc/51/17/79/680511779.db2.gz HBCJCEWDTDBTHM-LSDHHAIUSA-N 1 0 358.324 2.206 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1CC[NH+](CCOC2CCC2)CC1 ZINC001006123431 680593986 /nfs/dbraw/zinc/59/39/86/680593986.db2.gz NJVPBMQVFFNDJQ-OALUTQOASA-N 1 0 350.503 2.460 20 30 FEEDRO Cc1nc[nH]c1CC(=O)N[C@@H]1CCCC[C@H]1Nc1snc(C)c1C#N ZINC001045552059 680634024 /nfs/dbraw/zinc/63/40/24/680634024.db2.gz NMNVLOCKXXCONG-ZIAGYGMSSA-N 1 0 358.471 2.437 20 30 FEEDRO C=CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2ccc(F)cc2F)C1 ZINC001047468076 680664372 /nfs/dbraw/zinc/66/43/72/680664372.db2.gz SPSYQCOWLCSLDR-MVJTYMMSSA-N 1 0 350.409 2.148 20 30 FEEDRO COCCOc1c(Cl)cc(NC(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)cc1Cl ZINC000841172140 680867303 /nfs/dbraw/zinc/86/73/03/680867303.db2.gz FOPMLPGIBUAQNQ-ZANVPECISA-N 1 0 373.240 2.252 20 30 FEEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)Nc1cccc2c(Br)ccnc12 ZINC000841259426 680871956 /nfs/dbraw/zinc/87/19/56/680871956.db2.gz OWDIIQPQTHIEIX-RNCFNFMXSA-N 1 0 360.215 2.230 20 30 FEEDRO C[C@@H]1CC(=NNC(=S)NCCC[NH+](C)C)CN(Cc2ccccc2)C1 ZINC000767378075 680909597 /nfs/dbraw/zinc/90/95/97/680909597.db2.gz MDZARAXVLOXNOT-MRXNPFEDSA-N 1 0 361.559 2.300 20 30 FEEDRO C#C[C@H](NC(=O)NCC1CC[NH2+]CC1)c1ccc(Br)cc1 ZINC000841923279 680917445 /nfs/dbraw/zinc/91/74/45/680917445.db2.gz AHPNELQQTGORDU-HNNXBMFYSA-N 1 0 350.260 2.422 20 30 FEEDRO C#C[C@H](NC(=O)N[C@H]1C[NH2+]CC[C@H]1C)c1ccc(Br)cc1 ZINC000841978851 680919953 /nfs/dbraw/zinc/91/99/53/680919953.db2.gz ZYDULHMLFUAPNX-UGFHNGPFSA-N 1 0 350.260 2.421 20 30 FEEDRO COC(=O)c1csc(CO[NH+]=Cc2ccc(N3CCOCC3)cc2)n1 ZINC000842017851 680922170 /nfs/dbraw/zinc/92/21/70/680922170.db2.gz SXSGWEAYIBEDOZ-UHFFFAOYSA-N 1 0 361.423 2.317 20 30 FEEDRO C#CC[C@@H]1NC(=O)N(C[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)C1=O ZINC000842245628 680934604 /nfs/dbraw/zinc/93/46/04/680934604.db2.gz TYKNUKBYTKEALI-RCBQFDQVSA-N 1 0 363.820 2.416 20 30 FEEDRO C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)NCCCCCC[NH3+])cc1 ZINC000843042910 680984412 /nfs/dbraw/zinc/98/44/12/680984412.db2.gz WTIRHWRGXLOKBV-ZDUSSCGKSA-N 1 0 352.460 2.013 20 30 FEEDRO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)[C@@H](O)c1cccc(F)c1 ZINC000843100404 680987810 /nfs/dbraw/zinc/98/78/10/680987810.db2.gz CWEPXSRSHFLAEP-FZKQIMNGSA-N 1 0 362.426 2.183 20 30 FEEDRO C[C@H]([NH2+]C[C@@H](O)CN(C)CCC#N)[C@H](O)c1c(Cl)cccc1Cl ZINC000843102974 680987852 /nfs/dbraw/zinc/98/78/52/680987852.db2.gz HZDMUXIAUJGQPE-OZVIIMIRSA-N 1 0 360.285 2.211 20 30 FEEDRO C[C@H](C[C@H](O)c1cccs1)[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000843108121 680988115 /nfs/dbraw/zinc/98/81/15/680988115.db2.gz RROUSJWMVNHXHK-CJNGLKHVSA-N 1 0 364.492 2.495 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[C@H](C[NH2+]C[C@@H]2CCOC2)CC1 ZINC001050328145 681045399 /nfs/dbraw/zinc/04/53/99/681045399.db2.gz GDQUAIULKMENMM-FKSLSLAPSA-N 1 0 350.503 2.269 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[C@H](C[NH2+][C@@H](C)c2csnn2)CC1 ZINC001050368895 681046635 /nfs/dbraw/zinc/04/66/35/681046635.db2.gz YDDFHWPLLQRPEH-JGFGOLAASA-N 1 0 364.515 2.455 20 30 FEEDRO CCCC[C@H](ON=C(C)C)C(=O)NC(C)(C)CC[NH+]1CCN(C)CC1 ZINC000771664895 681065408 /nfs/dbraw/zinc/06/54/08/681065408.db2.gz YZLLXYVBNGUGMU-KRWDZBQOSA-N 1 0 354.539 2.490 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCO[C@H](C[NH2+]CC2CCCCC2)C1 ZINC001051868374 681070567 /nfs/dbraw/zinc/07/05/67/681070567.db2.gz UQLLGXOOLRMZSP-QYZOEREBSA-N 1 0 350.503 2.365 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCO[C@@H](C[NH2+]CC2CC(C)(C)C2)C1 ZINC001051868267 681070705 /nfs/dbraw/zinc/07/07/05/681070705.db2.gz TURKRGCDDLNICP-BZSNNMDCSA-N 1 0 350.503 2.221 20 30 FEEDRO Cc1nsc(NCC[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@H]2C)c1C#N ZINC001053320014 681095293 /nfs/dbraw/zinc/09/52/93/681095293.db2.gz FHTNZZAZQRLMQY-XPKDYRNWSA-N 1 0 361.515 2.314 20 30 FEEDRO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N(C)CC[N@H+](C)CCO ZINC000912606611 685405886 /nfs/dbraw/zinc/40/58/86/685405886.db2.gz TXPMQQQYFDLCRR-UHFFFAOYSA-N 1 0 360.376 2.266 20 30 FEEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC1N=Nc1ccccc1S(N)(=O)=O ZINC000773122713 681126591 /nfs/dbraw/zinc/12/65/91/681126591.db2.gz LWJDXASPFMDUOJ-CQSZACIVSA-N 1 0 358.467 2.254 20 30 FEEDRO C[C@@H]1[C@H](C(=O)N[C@H]2CCCN(c3nc(Cl)c(C#N)s3)C2)CC[N@@H+]1C ZINC001058257904 681169781 /nfs/dbraw/zinc/16/97/81/681169781.db2.gz IUQSZLJPQUFLEM-GRYCIOLGSA-N 1 0 367.906 2.093 20 30 FEEDRO C=C(Cl)C(C)(C)C(=O)N1CC[C@H](CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001059705434 681182417 /nfs/dbraw/zinc/18/24/17/681182417.db2.gz UCMLMGZBWFHUMG-VNQPRFMTSA-N 1 0 369.937 2.460 20 30 FEEDRO COc1ccc([C@H](C)[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)cc1C ZINC000932570625 681266549 /nfs/dbraw/zinc/26/65/49/681266549.db2.gz RCPGSISDLMSZKN-AWEZNQCLSA-N 1 0 359.451 2.395 20 30 FEEDRO C[C@@H]1CCC[N@@H+]1CCNC(=O)Cc1ccc(Br)cc1C#N ZINC000846639607 681270772 /nfs/dbraw/zinc/27/07/72/681270772.db2.gz RPZMGRYDNNQNCA-GFCCVEGCSA-N 1 0 350.260 2.464 20 30 FEEDRO COC(=O)/C=C1/SCC(=O)N1CCC[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000775155502 681278726 /nfs/dbraw/zinc/27/87/26/681278726.db2.gz LLEDMRKVPJSLOP-VGSSETLESA-N 1 0 359.451 2.189 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)N1CCC[C@@H](c2ncc(C(=O)OC)s2)C1 ZINC000912762517 685432682 /nfs/dbraw/zinc/43/26/82/685432682.db2.gz DXQGLKQFPPLTEY-CYBMUJFWSA-N 1 0 351.472 2.144 20 30 FEEDRO CS[C@@H]1CN(C(=O)Cc2cccc(OCC#N)c2)C[C@@H]1[NH+]1CCCC1 ZINC000776210242 681372468 /nfs/dbraw/zinc/37/24/68/681372468.db2.gz DBZLYBYQAQURQY-ZWKOTPCHSA-N 1 0 359.495 2.170 20 30 FEEDRO C=CCN1CC[C@H]([NH2+][C@@](C)(CO)Cc2ccc(Br)cc2)C1=O ZINC000933443812 681413595 /nfs/dbraw/zinc/41/35/95/681413595.db2.gz ZMSWJCAZYFCENU-DOTOQJQBSA-N 1 0 367.287 2.119 20 30 FEEDRO N#CCSCCC[NH+]1CCC(c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000933555956 681432671 /nfs/dbraw/zinc/43/26/71/681432671.db2.gz OTEDBLRCSXMNGZ-UHFFFAOYSA-N 1 0 353.513 2.160 20 30 FEEDRO COC(=O)[C@@H]1C[N@@H+]([C@H](C)CCC#N)CC12CN(C(=O)OC(C)(C)C)C2 ZINC000934052947 681501714 /nfs/dbraw/zinc/50/17/14/681501714.db2.gz VGPBCYFWKJGQMD-KGLIPLIRSA-N 1 0 351.447 2.021 20 30 FEEDRO C[NH+]1CCC(OCC(=O)NCC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000934065385 681503568 /nfs/dbraw/zinc/50/35/68/681503568.db2.gz ZIYDNPCRCKCJLT-UHFFFAOYSA-N 1 0 354.372 2.284 20 30 FEEDRO C#CCOc1cccc(Cl)c1C[NH2+]C[C@H]1CC[C@H](C(=O)N(C)C)O1 ZINC000778178245 681582587 /nfs/dbraw/zinc/58/25/87/681582587.db2.gz KSGSXPXPSJDRIT-CXAGYDPISA-N 1 0 350.846 2.077 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCOC2(CC[NH+](CCF)CC2)C1 ZINC000949207071 681624549 /nfs/dbraw/zinc/62/45/49/681624549.db2.gz IUXYJAJQULRKCM-IRXDYDNUSA-N 1 0 354.466 2.021 20 30 FEEDRO Cc1ccc(C[C@H](CO)C[NH+]=C(N(C)C)N(C)C)cc1Br ZINC000849115400 681657427 /nfs/dbraw/zinc/65/74/27/681657427.db2.gz RRMIQUIWWZZPGD-AWEZNQCLSA-N 1 0 356.308 2.388 20 30 FEEDRO C[NH+](C)CC#CCNC(=O)c1cc2c(cncc2Br)s1 ZINC000913523524 685479212 /nfs/dbraw/zinc/47/92/12/685479212.db2.gz DCATURKQJKRCOR-UHFFFAOYSA-N 1 0 352.257 2.354 20 30 FEEDRO C[NH+](C)CC#CCNC(=O)c1cc2cccc(C(F)(F)F)c2[nH]c1=O ZINC000913525192 685479328 /nfs/dbraw/zinc/47/93/28/685479328.db2.gz NHOARGMXBJJAJP-UHFFFAOYSA-N 1 0 351.328 2.254 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(CC)C1C[NH+](C[C@@H](OC)C2CCC2)C1 ZINC000953831016 681800950 /nfs/dbraw/zinc/80/09/50/681800950.db2.gz OAMDOBIQTRLJBI-OTWHNJEPSA-N 1 0 350.503 2.315 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(CC)C1C[NH+](C[C@H](OC)C2CCC2)C1 ZINC000953831015 681800963 /nfs/dbraw/zinc/80/09/63/681800963.db2.gz OAMDOBIQTRLJBI-FHWLQOOXSA-N 1 0 350.503 2.315 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)NCCc2ccc(OC(F)F)cc2)CC1 ZINC000913923973 685488863 /nfs/dbraw/zinc/48/88/63/685488863.db2.gz FLCSBUHBLZHKJS-UHFFFAOYSA-N 1 0 351.397 2.227 20 30 FEEDRO C[C@@H]([NH2+]CCS(=O)(=O)CC(F)(F)F)c1ccc(OCC#N)cc1 ZINC000850519826 681911849 /nfs/dbraw/zinc/91/18/49/681911849.db2.gz PGHYZCRPWDOGDO-LLVKDONJSA-N 1 0 350.362 2.217 20 30 FEEDRO C[N@@H+]1CC[C@@H](NS(=O)(=O)Cc2csc(C#N)c2)[C@H]1c1ccccc1 ZINC000914301795 685503079 /nfs/dbraw/zinc/50/30/79/685503079.db2.gz JBUYLVNFUSECLY-IAGOWNOFSA-N 1 0 361.492 2.485 20 30 FEEDRO C[N@@H+]1CC[C@H](NS(=O)(=O)Cc2csc(C#N)c2)[C@@H]1c1ccccc1 ZINC000914301796 685503118 /nfs/dbraw/zinc/50/31/18/685503118.db2.gz JBUYLVNFUSECLY-IRXDYDNUSA-N 1 0 361.492 2.485 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3sc(C)nc3C)C[C@H]21 ZINC000959949797 682013149 /nfs/dbraw/zinc/01/31/49/682013149.db2.gz YNNVZGBKJPDOPW-LFRCEIEQSA-N 1 0 361.511 2.288 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]Cc1ncc(Cl)n1C ZINC000960139436 682029219 /nfs/dbraw/zinc/02/92/19/682029219.db2.gz NAVPLMCDTNBLQK-ZNMIVQPWSA-N 1 0 366.893 2.135 20 30 FEEDRO C[NH+]1CCC(Oc2ccc(CNS(=O)(=O)CC(C)(C)C#N)cc2)CC1 ZINC000915356986 685514581 /nfs/dbraw/zinc/51/45/81/685514581.db2.gz NNDCLKSWEAIWQK-UHFFFAOYSA-N 1 0 365.499 2.129 20 30 FEEDRO C=C(Cl)C(C)(C)C(=O)N1CC[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC000940771007 682081681 /nfs/dbraw/zinc/08/16/81/682081681.db2.gz BLTBLQYTWDEVCK-QLFBSQMISA-N 1 0 355.910 2.213 20 30 FEEDRO C[NH+]1CCC2(CCCN(S(=O)(=O)Cc3csc(C#N)c3)C2)CC1 ZINC000915199482 685513011 /nfs/dbraw/zinc/51/30/11/685513011.db2.gz MRRLMFPYGZSGHZ-UHFFFAOYSA-N 1 0 353.513 2.257 20 30 FEEDRO C=CCC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3OCCO[C@H]3C)CC2)C1 ZINC000961375044 682091272 /nfs/dbraw/zinc/09/12/72/682091272.db2.gz OIJAZLYUSIRRAK-UHOSZYNNSA-N 1 0 350.503 2.317 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1CC(C[NH2+]Cc2nnc(C)s2)C1 ZINC000962402378 682117929 /nfs/dbraw/zinc/11/79/29/682117929.db2.gz XFBSGFUPEPWKGJ-NDTCATRNSA-N 1 0 364.515 2.202 20 30 FEEDRO C=C(C[NH+](C)C)C(=O)N1CC[C@H](c2nc(C)c(C(=O)OCC)s2)C1 ZINC000916303001 685523409 /nfs/dbraw/zinc/52/34/09/685523409.db2.gz RDCZRILDGAVLNB-ZDUSSCGKSA-N 1 0 351.472 2.062 20 30 FEEDRO N#Cc1c(F)cccc1S(=O)(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000851880112 682175335 /nfs/dbraw/zinc/17/53/35/682175335.db2.gz UOYGEWKXZJHOHE-UHFFFAOYSA-N 1 0 351.447 2.098 20 30 FEEDRO C#C[C@](C)(CC)[NH2+]CC(=O)Nc1cccc(C(=O)N2CCSCC2)c1 ZINC000852101229 682220053 /nfs/dbraw/zinc/22/00/53/682220053.db2.gz NNYUEFGTHFTAHT-LJQANCHMSA-N 1 0 359.495 2.206 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H](C)CN(C)C(=O)OC(C)(C)C)CC1 ZINC000852126473 682224337 /nfs/dbraw/zinc/22/43/37/682224337.db2.gz BYLYWBKVQZXBCN-AWEZNQCLSA-N 1 0 354.495 2.191 20 30 FEEDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)N2CCN(c3ccsc3C#N)CC2)C1 ZINC000852223375 682242671 /nfs/dbraw/zinc/24/26/71/682242671.db2.gz KPNNSNDEPYEEDU-HUUCEWRRSA-N 1 0 361.515 2.324 20 30 FEEDRO C[NH+]1C[C@@]2(C)CN(S(=O)(=O)c3ccc(C#N)cc3Cl)C[C@]2(C)C1 ZINC000918359890 685538760 /nfs/dbraw/zinc/53/87/60/685538760.db2.gz MAVOHLMDYXDRPG-HOTGVXAUSA-N 1 0 353.875 2.174 20 30 FEEDRO C#C[C@@H]([NH2+]C[C@H](O)COc1cccc(Br)c1)C1CCOCC1 ZINC000853116304 682377837 /nfs/dbraw/zinc/37/78/37/682377837.db2.gz TWEYBMZNRXYVOM-DOTOQJQBSA-N 1 0 368.271 2.207 20 30 FEEDRO CC(C)[C@H]([NH2+]C[C@@H](O)CN(C)CCC#N)[C@H](O)c1ccc(Cl)cc1 ZINC000853126638 682379495 /nfs/dbraw/zinc/37/94/95/682379495.db2.gz PAHHEKMKXIONAR-FGTMMUONSA-N 1 0 353.894 2.194 20 30 FEEDRO FC(F)(F)c1nc2n(c1C=NNC1=[NH+][C@@H]3CCCC[C@H]3N1)CCCC2 ZINC000853324581 682405515 /nfs/dbraw/zinc/40/55/15/682405515.db2.gz LEXHPLBJCPPMCL-GHMZBOCLSA-N 1 0 354.380 2.432 20 30 FEEDRO C#CCN(CC(=O)OC(C)(C)C)C(=O)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000853347165 682407377 /nfs/dbraw/zinc/40/73/77/682407377.db2.gz FWZZRKASDOYUSR-HZPDHXFCSA-N 1 0 351.491 2.093 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)c1cnn(C(C)(C)C)c1Br ZINC000854664567 682577034 /nfs/dbraw/zinc/57/70/34/682577034.db2.gz WYBUVPUTZYJYCQ-UHFFFAOYSA-N 1 0 355.280 2.086 20 30 FEEDRO C=C(C[NH+](C)C)C(=O)N[C@H](CC(=O)OC)c1ccc(Br)cc1 ZINC000791310587 682733960 /nfs/dbraw/zinc/73/39/60/682733960.db2.gz DJHAXCWBTXIEBG-CQSZACIVSA-N 1 0 369.259 2.287 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)[C@H]2N(C(=O)OC(C)(C)C)CC2(C)C)CC1 ZINC000793446108 682889735 /nfs/dbraw/zinc/88/97/35/682889735.db2.gz TZSXQDGHAQAKDE-OAHLLOKOSA-N 1 0 351.491 2.399 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)OCc2ccc(Cl)cc2-n2cncn2)CC1 ZINC000795512167 683062011 /nfs/dbraw/zinc/06/20/11/683062011.db2.gz MVFGSNBFQRPWNY-UHFFFAOYSA-N 1 0 358.829 2.309 20 30 FEEDRO CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)c1ccc(Cl)c(C#N)c1)C2 ZINC000926168449 683087156 /nfs/dbraw/zinc/08/71/56/683087156.db2.gz YGHLAWHXBCAQEN-YWTNHNAXSA-N 1 0 361.873 2.421 20 30 FEEDRO C=C(C)CS(=O)(=O)Oc1ccc(C(=O)NCC[NH+](CC)CC)cc1 ZINC000797825623 683277271 /nfs/dbraw/zinc/27/72/71/683277271.db2.gz AATWRZGVWORXHQ-UHFFFAOYSA-N 1 0 354.472 2.043 20 30 FEEDRO C#CCC[C@H](O)CNC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000798354609 683339229 /nfs/dbraw/zinc/33/92/29/683339229.db2.gz KOMUMUQOXIJOIQ-SFHVURJKSA-N 1 0 363.889 2.378 20 30 FEEDRO C=CCN1CC[C@H]([N@@H+](C)Cc2cc(Br)cc(OC)c2O)C1=O ZINC000798956989 683408247 /nfs/dbraw/zinc/40/82/47/683408247.db2.gz TUUCFUUSKUEZDB-ZDUSSCGKSA-N 1 0 369.259 2.382 20 30 FEEDRO C[NH+](C)CC[C@H](NS(=O)(=O)CC1(C#N)CCCC1)c1cccnc1 ZINC000921480563 683481163 /nfs/dbraw/zinc/48/11/63/683481163.db2.gz MYHRWYOWJCGYPU-INIZCTEOSA-N 1 0 350.488 2.078 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)c2cc(Br)ncc2Cl)CC1 ZINC000928652624 683481302 /nfs/dbraw/zinc/48/13/02/683481302.db2.gz FVUMROIQXDDMBN-UHFFFAOYSA-N 1 0 356.651 2.325 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)CCSc2ccc3c(c2)OCCO3)CC1 ZINC000928655267 683482285 /nfs/dbraw/zinc/48/22/85/683482285.db2.gz OHBGLFAOOJYRFH-UHFFFAOYSA-N 1 0 360.479 2.154 20 30 FEEDRO CCNC(=O)N1CC[C@@H]([NH2+]Cc2cc(C#N)ccc2Br)C1 ZINC000921842117 683588048 /nfs/dbraw/zinc/58/80/48/683588048.db2.gz JPPWDFXJLBWZAS-CYBMUJFWSA-N 1 0 351.248 2.214 20 30 FEEDRO Cc1cc(C#N)cc(C)c1C[NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1 ZINC000921925825 683616319 /nfs/dbraw/zinc/61/63/19/683616319.db2.gz SZEBIAVZLPHHLH-OAHLLOKOSA-N 1 0 364.492 2.161 20 30 FEEDRO C#Cc1ccc(NC(=O)CC[N@@H+](C)CC(=O)NCc2cccs2)cc1 ZINC000929632173 683621033 /nfs/dbraw/zinc/62/10/33/683621033.db2.gz WDDHYCPKWLKXBJ-UHFFFAOYSA-N 1 0 355.463 2.306 20 30 FEEDRO N#CC[C@@H](O)C[NH+]1CCC(O)(Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000930242151 683697668 /nfs/dbraw/zinc/69/76/68/683697668.db2.gz QCYAPKSACKBGFV-CQSZACIVSA-N 1 0 358.360 2.229 20 30 FEEDRO C=C(C[NH+](C)C)C(=O)N1CC[C@@H](O)[C@H]1c1ccc(Br)cc1 ZINC000863579422 683745292 /nfs/dbraw/zinc/74/52/92/683745292.db2.gz KLTPTZGNQYOUBD-HUUCEWRRSA-N 1 0 353.260 2.201 20 30 FEEDRO CO[C@@]1(C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)CCSC1 ZINC000922571548 683748054 /nfs/dbraw/zinc/74/80/54/683748054.db2.gz DEPUCTOUNZFLCL-GOSISDBHSA-N 1 0 357.483 2.470 20 30 FEEDRO N#Cc1ccc(SCC(=O)N2CCC([NH2+]C3CCOCC3)CC2)cc1 ZINC000922873068 683795592 /nfs/dbraw/zinc/79/55/92/683795592.db2.gz QFHHFGNHHKEJHZ-UHFFFAOYSA-N 1 0 359.495 2.410 20 30 FEEDRO C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000864940455 683911665 /nfs/dbraw/zinc/91/16/65/683911665.db2.gz UOJJPXOXHXFZIL-UONOGXRCSA-N 1 0 359.898 2.479 20 30 FEEDRO C[NH+](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000865149688 683942492 /nfs/dbraw/zinc/94/24/92/683942492.db2.gz LPWIQFOJCMJLLC-AWEZNQCLSA-N 1 0 350.394 2.091 20 30 FEEDRO CN(C)c1ccc(C#N)cc1C[NH2+]Cc1ccc(CS(C)(=O)=O)cc1 ZINC000865418075 683980943 /nfs/dbraw/zinc/98/09/43/683980943.db2.gz AXHUDXNIODLKRT-UHFFFAOYSA-N 1 0 357.479 2.459 20 30 FEEDRO N#Cc1c(NC[C@@H]2CC[N@@H+]2C2CCCCCC2)cccc1S(N)(=O)=O ZINC000866194362 684081984 /nfs/dbraw/zinc/08/19/84/684081984.db2.gz VBJUJSCIUMVKDU-HNNXBMFYSA-N 1 0 362.499 2.415 20 30 FEEDRO C#CCN(C(=O)NCc1ncc(Br)s1)C1CC[NH+](C)CC1 ZINC000923946265 684373517 /nfs/dbraw/zinc/37/35/17/684373517.db2.gz MSTRLOVBNHCXHD-UHFFFAOYSA-N 1 0 371.304 2.145 20 30 FEEDRO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](C)[C@H](CCNC(=O)OC(C)(C)C)C2)C1=O ZINC000931958293 684375533 /nfs/dbraw/zinc/37/55/33/684375533.db2.gz XJHICAUYHBHJCJ-BZUAXINKSA-N 1 0 351.491 2.256 20 30 FEEDRO CSc1ccc(CNC(=O)CCN2CC[NH+](C(C)C)CC2)cc1C#N ZINC000923979331 684381327 /nfs/dbraw/zinc/38/13/27/684381327.db2.gz QLOWHQYEFOFSFW-UHFFFAOYSA-N 1 0 360.527 2.312 20 30 FEEDRO CCO[C@@H](CNC(=O)NCc1ccc(SC)c(C#N)c1)C[NH+](C)C ZINC000924042207 684394339 /nfs/dbraw/zinc/39/43/39/684394339.db2.gz UNGKYKDMAIMJHT-HNNXBMFYSA-N 1 0 350.488 2.046 20 30 FEEDRO N#CCc1ccsc1C(=O)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000869241408 684596426 /nfs/dbraw/zinc/59/64/26/684596426.db2.gz FNGZIGBSJQNXNV-KRWDZBQOSA-N 1 0 355.463 2.311 20 30 FEEDRO COCCN(CC1CC[NH+](C)CC1)C(=O)CSc1ccc(C#N)cc1 ZINC000869765724 684652700 /nfs/dbraw/zinc/65/27/00/684652700.db2.gz PNXLPHNKRYKJPR-UHFFFAOYSA-N 1 0 361.511 2.467 20 30 FEEDRO N#Cc1ccc2c(c1)C[C@H](NC(=O)c1csc(C3CC[NH2+]CC3)n1)C2 ZINC000871012263 684779891 /nfs/dbraw/zinc/77/98/91/684779891.db2.gz NFFJCCPKCVLLPW-MRXNPFEDSA-N 1 0 352.463 2.379 20 30 FEEDRO CCOC(=O)c1ncc(CON=C(N)c2ccc(C[NH+](C)C)cc2)s1 ZINC000871734319 684850008 /nfs/dbraw/zinc/85/00/08/684850008.db2.gz CWNNSTKWXXUTGN-UHFFFAOYSA-N 1 0 362.455 2.219 20 30 FEEDRO Cc1cccc(C#N)c1S(=O)(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000871804954 684858255 /nfs/dbraw/zinc/85/82/55/684858255.db2.gz JJBMYBJWCNBEKY-DLBZAZTESA-N 1 0 359.426 2.121 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N[C@@]23CCC[C@H]2[NH2+]CC3)cc1C(F)(F)F ZINC000871817509 684862477 /nfs/dbraw/zinc/86/24/77/684862477.db2.gz RUELECCRCPVIFS-ZIAGYGMSSA-N 1 0 359.373 2.140 20 30 FEEDRO N#CC1(C[C@H](O)C[NH2+][C@@H]2COc3cccc(Br)c3C2)CC1 ZINC000872235268 684930190 /nfs/dbraw/zinc/93/01/90/684930190.db2.gz QHSVKYFZQJDEGD-RYUDHWBXSA-N 1 0 351.244 2.397 20 30 FEEDRO CN1Cc2ccccc2[C@H]1C[NH2+]CCS(=O)(=O)c1cccc(C#N)c1 ZINC000872236255 684930506 /nfs/dbraw/zinc/93/05/06/684930506.db2.gz PEXTVHJENQDJBQ-LJQANCHMSA-N 1 0 355.463 2.108 20 30 FEEDRO CC[C@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)[C@H](O)c1ccccc1 ZINC000872250392 684932497 /nfs/dbraw/zinc/93/24/97/684932497.db2.gz HRIRFODRBNYJPE-RBUKOAKNSA-N 1 0 358.463 2.434 20 30 FEEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)NCC[C@@H]1C[NH2+]C[C@H]1C ZINC000911388996 685206687 /nfs/dbraw/zinc/20/66/87/685206687.db2.gz NWODLTIWOYMVCV-CHWSQXEVSA-N 1 0 369.918 2.278 20 30 FEEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)NC[C@H]1CC[C@@H]([NH3+])C1 ZINC000911484186 685215643 /nfs/dbraw/zinc/21/56/43/685215643.db2.gz DSCCVLCCJIOZFC-NWDGAFQWSA-N 1 0 355.891 2.160 20 30 FEEDRO C#CCN(CC(=O)OC(C)(C)C)C(=O)NC1CCC(C)([NH+](C)C)CC1 ZINC000876108670 686132844 /nfs/dbraw/zinc/13/28/44/686132844.db2.gz WRFSTMJKMJOIQO-UHFFFAOYSA-N 1 0 351.491 2.236 20 30 FEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@@H](Cc1ccccc1)C(=O)N(CC)CC ZINC000876557254 686219311 /nfs/dbraw/zinc/21/93/11/686219311.db2.gz DCIUSCHQJAKQML-CVEARBPZSA-N 1 0 351.878 2.052 20 30 FEEDRO N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)NC[C@@H](O)c1ccccc1Cl ZINC000876587076 686224889 /nfs/dbraw/zinc/22/48/89/686224889.db2.gz GJCBAAACBGAJBJ-MSOLQXFVSA-N 1 0 355.825 2.248 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NC1CCN(C(=O)CCc2ccccc2)CC1 ZINC000876605490 686227021 /nfs/dbraw/zinc/22/70/21/686227021.db2.gz VMOGEEZDROZDQQ-KRWDZBQOSA-N 1 0 363.889 2.196 20 30 FEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000876615618 686229172 /nfs/dbraw/zinc/22/91/72/686229172.db2.gz JGVXMAFZAFWBAH-OAHLLOKOSA-N 1 0 370.280 2.484 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NCc1ccc(C)cc1OC[C@@H]1CCOC1 ZINC000876693495 686245435 /nfs/dbraw/zinc/24/54/35/686245435.db2.gz WISLUPKXNHTTKI-ZBFHGGJFSA-N 1 0 352.862 2.496 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000876894213 686289217 /nfs/dbraw/zinc/28/92/17/686289217.db2.gz MFWODAJAFPRGLP-STQMWFEESA-N 1 0 360.216 2.171 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+]C2(CO)CCCCCCC2)cc1 ZINC000879496730 686837905 /nfs/dbraw/zinc/83/79/05/686837905.db2.gz KTCKYUILGGHXSS-UHFFFAOYSA-N 1 0 350.484 2.397 20 30 FEEDRO C[C@@H]1C[N@H+](C[C@H](O)COc2ccccc2C#N)CC[C@@H](C(F)(F)F)O1 ZINC000880065900 686992162 /nfs/dbraw/zinc/99/21/62/686992162.db2.gz YJHZZXQYOCTCAH-INWMFGNUSA-N 1 0 358.360 2.340 20 30 FEEDRO C=CCNC(=O)[C@@H](C)[NH+]1CCC(Cc2nc(C(=O)OCC)cs2)CC1 ZINC000880264291 687024234 /nfs/dbraw/zinc/02/42/34/687024234.db2.gz SJQCVVKZVPIHMF-CYBMUJFWSA-N 1 0 365.499 2.265 20 30 FEEDRO CO[C@@H]1COCC[C@H]1[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000880429614 687047315 /nfs/dbraw/zinc/04/73/15/687047315.db2.gz IAQRVGNUNLDQBC-HUUCEWRRSA-N 1 0 363.483 2.173 20 30 FEEDRO C[C@@H]1C[N@H+](CCCNC(=O)Nc2cc(C#N)c(F)cc2F)CCCO1 ZINC000880712513 687077412 /nfs/dbraw/zinc/07/74/12/687077412.db2.gz PONMFYLHOPPAIS-GFCCVEGCSA-N 1 0 352.385 2.459 20 30 FEEDRO N#Cc1cnc(N2CCC[C@H](C[NH+]3CCOCC3)C2)c(Br)c1 ZINC000882318262 687346431 /nfs/dbraw/zinc/34/64/31/687346431.db2.gz NQCMTJSHAGEICY-CYBMUJFWSA-N 1 0 365.275 2.264 20 30 FEEDRO C[NH+](C)C[C@H]1CCN(C(=O)Nc2ccc(Br)c(C#N)n2)C1 ZINC000883089039 687561512 /nfs/dbraw/zinc/56/15/12/687561512.db2.gz YUNDHQDZNJHIGR-SNVBAGLBSA-N 1 0 352.236 2.131 20 30 FEEDRO COc1cc(NC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)ccc1OC(F)F ZINC000884415211 687866503 /nfs/dbraw/zinc/86/65/03/687866503.db2.gz NVYURIFKFJIEMQ-VVHFOWEKSA-N 1 0 351.353 2.374 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)N1CCC(C(=O)OCC)(C(F)(F)F)CC1 ZINC000884747904 687917158 /nfs/dbraw/zinc/91/71/58/687917158.db2.gz LXIDTUBFZDVFPE-UHFFFAOYSA-N 1 0 350.381 2.229 20 30 FEEDRO C=CC(C)(C)CCCNC(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000885095768 688015507 /nfs/dbraw/zinc/01/55/07/688015507.db2.gz AOQSDLCGXQOMPA-CHWSQXEVSA-N 1 0 363.424 2.081 20 30 FEEDRO C[NH+](C)CC(=O)N1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000885287639 688048054 /nfs/dbraw/zinc/04/80/54/688048054.db2.gz VHCOOOUIGWSUAJ-RNFRBKRXSA-N 1 0 354.241 2.177 20 30 FEEDRO C=C(C)COc1cc(C[NH2+]CC2(S(=O)(=O)N(C)C)CC2)ccc1OC ZINC000886322066 688231623 /nfs/dbraw/zinc/23/16/23/688231623.db2.gz KQRCUDOBFGQIAP-UHFFFAOYSA-N 1 0 368.499 2.164 20 30 FEEDRO CSCc1nc(CNC2CC[NH+](Cc3ccc(C#N)cc3)CC2)n[nH]1 ZINC000886326376 688232117 /nfs/dbraw/zinc/23/21/17/688232117.db2.gz IOTJRRWKYDYWMK-UHFFFAOYSA-N 1 0 356.499 2.294 20 30 FEEDRO C#CC[N@@H+](CC[C@H]1CCOC1=O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000886427361 688254118 /nfs/dbraw/zinc/25/41/18/688254118.db2.gz IBQKTYPDQXPPRB-HNNXBMFYSA-N 1 0 350.459 2.274 20 30 FEEDRO C#CCC1([NH2+]C[C@H](O)COc2ccc(Br)cc2)CCOCC1 ZINC000887127525 688370197 /nfs/dbraw/zinc/37/01/97/688370197.db2.gz RLQJHSSYWKJFFW-HNNXBMFYSA-N 1 0 368.271 2.351 20 30 FEEDRO C[C@@H]1C[N@H+](CCCNC(=O)Nc2nc(Cl)c(C#N)s2)CCCO1 ZINC000888419333 688608528 /nfs/dbraw/zinc/60/85/28/688608528.db2.gz OVXGAIJQXIUGOL-SNVBAGLBSA-N 1 0 357.867 2.291 20 30 FEEDRO CCN1CC[NH+](CCCCNC(=O)N(C)Cc2cc(C#N)cs2)CC1 ZINC000891902939 689124691 /nfs/dbraw/zinc/12/46/91/689124691.db2.gz AVZYSZNPYLNYKY-UHFFFAOYSA-N 1 0 363.531 2.179 20 30 FEEDRO COCC[NH+](CCOC)C1CCN(c2cc(C#N)sc2[N+](=O)[O-])CC1 ZINC000893837425 689414867 /nfs/dbraw/zinc/41/48/67/689414867.db2.gz QVSUIWBANRRIOM-UHFFFAOYSA-N 1 0 368.459 2.092 20 30 FEEDRO C#CCSCC(=O)N1CC[C@]2(C1)CN(Cc1ccccc1)C[C@H](C)O2 ZINC000893921128 689429632 /nfs/dbraw/zinc/42/96/32/689429632.db2.gz ICERLCPNGMWAQF-FXAWDEMLSA-N 1 0 358.507 2.245 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)Nc1cc(S(=O)(=O)N(C)C(C)C)ccc1C ZINC000900249205 690489950 /nfs/dbraw/zinc/48/99/50/690489950.db2.gz FGXJICUYPHBTJH-UHFFFAOYSA-N 1 0 367.515 2.470 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1 ZINC000901271352 690631534 /nfs/dbraw/zinc/63/15/34/690631534.db2.gz TXVZGOHXUUGKEM-ZWKOTPCHSA-N 1 0 365.905 2.336 20 30 FEEDRO N#C[C@@]12C[N@@H+](Cn3ccc(=S)c4ccccc43)C[C@H]1CS(=O)(=O)C2 ZINC000902532452 690775077 /nfs/dbraw/zinc/77/50/77/690775077.db2.gz HNQSWDSLDIXYQW-GUYCJALGSA-N 1 0 359.476 2.198 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H]1C[C@H](NC(=O)OC(C)(C)C)C12CCOCC2 ZINC000903180187 690862417 /nfs/dbraw/zinc/86/24/17/690862417.db2.gz XHPOGBZLNUBMJK-QXSJWSMHSA-N 1 0 352.475 2.382 20 30 FEEDRO C[C@H]([NH3+])[C@H]1CCCN(S(=O)(=O)c2ccc(Br)c(C#N)c2)C1 ZINC000903487243 690899225 /nfs/dbraw/zinc/89/92/25/690899225.db2.gz UQLRNAUFRLCZBK-QWRGUYRKSA-N 1 0 372.288 2.069 20 30 FEEDRO Cc1cc(C#N)cc(C)c1CS(=O)(=O)NCc1ccc(CC[NH3+])cc1 ZINC000903512680 690905693 /nfs/dbraw/zinc/90/56/93/690905693.db2.gz CWMGLNCGNJSDFH-UHFFFAOYSA-N 1 0 357.479 2.296 20 30 FEEDRO C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)C[C@H]1CC[NH3+] ZINC000903556024 690923169 /nfs/dbraw/zinc/92/31/69/690923169.db2.gz KEPUDCKUSXYCKR-ZYHUDNBSSA-N 1 0 361.389 2.182 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)C(=O)N1CCC(C(C)(C)C[NH3+])CC1 ZINC000904946619 691054168 /nfs/dbraw/zinc/05/41/68/691054168.db2.gz HDPVGUNHNPHLCX-UHFFFAOYSA-N 1 0 363.527 2.486 20 30 FEEDRO CC[C@@](O)(C[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)C(F)(F)F ZINC000905202431 691079401 /nfs/dbraw/zinc/07/94/01/691079401.db2.gz LQLMKVALERDGQW-GDBMZVCRSA-N 1 0 355.360 2.347 20 30 FEEDRO N#Cc1ccc(OC[C@H](O)C[NH2+]C[C@@H]2CCC[C@@H](C(F)(F)F)O2)cc1 ZINC000905568602 691143179 /nfs/dbraw/zinc/14/31/79/691143179.db2.gz UVRFZWHZDYCYCC-KBMXLJTQSA-N 1 0 358.360 2.388 20 30 FEEDRO COC(=O)C1CC2(C1)C[C@H]([NH2+]C[C@H](O)c1ccc(C#N)cc1)CCS2 ZINC000905695429 691163282 /nfs/dbraw/zinc/16/32/82/691163282.db2.gz KYRHVCAEIFTAFM-ISXWCOSWSA-N 1 0 360.479 2.399 20 30 FEEDRO CC(C)(C[NH3+])C1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2Cl)CC1 ZINC000906688170 691302169 /nfs/dbraw/zinc/30/21/69/691302169.db2.gz DAQSIYMSPATJOO-UHFFFAOYSA-N 1 0 362.861 2.374 20 30 FEEDRO CN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(Br)c(C#N)c1 ZINC000906787259 691315659 /nfs/dbraw/zinc/31/56/59/691315659.db2.gz TYSSLDUAIZMENT-UHFFFAOYSA-N 1 0 372.288 2.035 20 30 FEEDRO C#Cc1ccc(S(=O)(=O)N[C@H]2CC[N@@H+](CCCOCC)C[C@@H]2C)cc1 ZINC000906948057 691351790 /nfs/dbraw/zinc/35/17/90/691351790.db2.gz RBVQHSKVZONUGU-LPHOPBHVSA-N 1 0 364.511 2.083 20 30 FEEDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(S(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000906951254 691352412 /nfs/dbraw/zinc/35/24/12/691352412.db2.gz ROINTWIILYBZEK-RDJZCZTQSA-N 1 0 362.499 2.228 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)N[C@H](c1ccc(C)cc1)[C@@H](C)S(C)(=O)=O ZINC000907955834 691589636 /nfs/dbraw/zinc/58/96/36/691589636.db2.gz ZWGBZZAKEZEHCT-WBVHZDCISA-N 1 0 352.500 2.093 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)C(F)(F)c1ncccc1Br ZINC000908437508 691678887 /nfs/dbraw/zinc/67/88/87/691678887.db2.gz PKOGMZUPMJEJLE-UHFFFAOYSA-N 1 0 360.202 2.007 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)N(C)C[C@@H](O)c1ccccc1Br ZINC000909412463 691819213 /nfs/dbraw/zinc/81/92/13/691819213.db2.gz UQYDSSLNCFIHGZ-OAHLLOKOSA-N 1 0 355.276 2.449 20 30 FEEDRO C[N@@H+]1CCO[C@H]2CN(c3cnc(Cl)nc3Oc3ccccc3C#N)C[C@H]21 ZINC001164667755 719480445 /nfs/dbraw/zinc/48/04/45/719480445.db2.gz MPYMHGMVZPTJHE-ZBFHGGJFSA-N 1 0 371.828 2.313 20 30 FEEDRO Cc1ccnc(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c1C#N ZINC001164824580 720297907 /nfs/dbraw/zinc/29/79/07/720297907.db2.gz RTTFKMVPRLLLOK-MOPGFXCFSA-N 1 0 367.497 2.173 20 30 FEEDRO N#Cc1cc2c(nc1N1CC[C@H]3[C@H]1CC[N@@H+]3Cc1cccnc1)CCOC2 ZINC001164735889 720464025 /nfs/dbraw/zinc/46/40/25/720464025.db2.gz ZAAMEJDARPQYKF-VQTJNVASSA-N 1 0 361.449 2.274 20 30 FEEDRO N#Cc1cc2c(nc1N1CC[C@@H]3[C@H]1CC[N@@H+]3Cc1cccnc1)CCOC2 ZINC001164735890 720464127 /nfs/dbraw/zinc/46/41/27/720464127.db2.gz ZAAMEJDARPQYKF-WOJBJXKFSA-N 1 0 361.449 2.274 20 30 FEEDRO Cc1cnc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)c(C#N)n1 ZINC001164844182 720586921 /nfs/dbraw/zinc/58/69/21/720586921.db2.gz ZQEDSWZJZUFGBN-ZHALLVOQSA-N 1 0 365.485 2.231 20 30 FEEDRO COCC[N@@H+]1CCO[C@@H]2CN(c3ccc(C4(C#N)CCC4)cn3)CC[C@@H]2C1 ZINC001164862197 720854582 /nfs/dbraw/zinc/85/45/82/720854582.db2.gz ZKIMBZPIMYIIHY-IEBWSBKVSA-N 1 0 370.497 2.200 20 30 FEEDRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc4c(cc3C#N)CCCC4)CC[C@@H]2C1 ZINC001164863764 720874737 /nfs/dbraw/zinc/87/47/37/720874737.db2.gz UDPSRJJHPXKTGK-YLJYHZDGSA-N 1 0 370.497 2.006 20 30 FEEDRO N#Cc1nc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)ccc1Cl ZINC001164870870 721054613 /nfs/dbraw/zinc/05/46/13/721054613.db2.gz WZIHLMPZWWJYTI-HOTGVXAUSA-N 1 0 369.856 2.481 20 30 FEEDRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ncc(C#N)cc4Cl)C[C@@H]3C2)cn1 ZINC001164765793 721081782 /nfs/dbraw/zinc/08/17/82/721081782.db2.gz JUTQTOJCEBBVSC-CVEARBPZSA-N 1 0 356.861 2.298 20 30 FEEDRO N#Cc1cnc(Cl)nc1N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164898534 721521466 /nfs/dbraw/zinc/52/14/66/721521466.db2.gz IIOJWRJGVDQDPR-HOCLYGCPSA-N 1 0 373.819 2.483 20 30 FEEDRO COC(=O)[C@@H](C#N)c1nc2ccccc2nc1N(C)CC1CC[NH+](C)CC1 ZINC001165043237 721937148 /nfs/dbraw/zinc/93/71/48/721937148.db2.gz RTYUJHVBJLPEJY-HNNXBMFYSA-N 1 0 367.453 2.188 20 30 FEEDRO C[C@@H]1CC[N@H+](C)CCN1C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 ZINC000498758895 885703183 /nfs/dbraw/zinc/70/31/83/885703183.db2.gz GQJCZOBOXQYPBF-CYBMUJFWSA-N 1 0 356.405 2.441 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCCOC(F)F ZINC000549204787 674024565 /nfs/dbraw/zinc/02/45/65/674024565.db2.gz NEANKVIOSQEDIS-UHFFFAOYSA-N 1 0 354.401 2.261 20 30 FEEDRO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CC[NH+](CCc2ccccc2)CC1 ZINC000022747548 539697921 /nfs/dbraw/zinc/69/79/21/539697921.db2.gz ITJZECVRQPFHKX-WIYYLYMNSA-N 1 0 356.514 2.290 20 30 FEEDRO COC(=O)c1ccc(OC[C@H](O)C[NH2+][C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000030532474 539884223 /nfs/dbraw/zinc/88/42/23/539884223.db2.gz ILWCHXDVNZECDF-KBXCAEBGSA-N 1 0 354.406 2.435 20 30 FEEDRO N#Cc1ccc(NC(=O)CC[NH+]2CCC(OCCO)CC2)cc1Cl ZINC000550198039 674085505 /nfs/dbraw/zinc/08/55/05/674085505.db2.gz AZXUIMQPXMTALQ-UHFFFAOYSA-N 1 0 351.834 2.014 20 30 FEEDRO N#Cc1ccc(NC(=O)C(=O)NCCC[N@@H+]2CCc3ccccc3C2)cc1 ZINC000041732503 540030875 /nfs/dbraw/zinc/03/08/75/540030875.db2.gz PWKUONSXLPQDHI-UHFFFAOYSA-N 1 0 362.433 2.061 20 30 FEEDRO CC(=O)NCCCCCC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000042004578 540045018 /nfs/dbraw/zinc/04/50/18/540045018.db2.gz ADTQUFBVCVXYOR-UHFFFAOYSA-N 1 0 370.497 2.289 20 30 FEEDRO CC1CC[NH+](CCNC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)CC1 ZINC000046370672 540253799 /nfs/dbraw/zinc/25/37/99/540253799.db2.gz OMEIKLOQYATOJH-UHFFFAOYSA-N 1 0 369.513 2.117 20 30 FEEDRO N#Cc1ccsc1NC(=O)CC[NH+]1CCC(c2nnc3n2CCC3)CC1 ZINC000047258494 540298644 /nfs/dbraw/zinc/29/86/44/540298644.db2.gz BBLBCFYZMRCBHP-UHFFFAOYSA-N 1 0 370.482 2.366 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)Nc2cccc(CN3CCCCC3=O)c2)CC1 ZINC000050473546 540406805 /nfs/dbraw/zinc/40/68/05/540406805.db2.gz FAKCPXKRVTVISG-UHFFFAOYSA-N 1 0 353.466 2.483 20 30 FEEDRO N#Cc1cccc(NC(=O)CC[N@@H+]2CCC[C@@H](C(=O)NCC3CC3)C2)c1 ZINC000052931292 540500972 /nfs/dbraw/zinc/50/09/72/540500972.db2.gz CAAXLSOHNQWCOG-QGZVFWFLSA-N 1 0 354.454 2.125 20 30 FEEDRO CCCCCNC(=O)C1CC[NH+](CC(=O)N(CC)C[C@@H](C)C#N)CC1 ZINC000052723660 540485386 /nfs/dbraw/zinc/48/53/86/540485386.db2.gz BCTGRTAQZDUYQS-INIZCTEOSA-N 1 0 350.507 2.013 20 30 FEEDRO C=CCNC(=O)[C@H](C)[NH+]1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 ZINC000054215357 540575745 /nfs/dbraw/zinc/57/57/45/540575745.db2.gz LJEZMIVCZNLUSA-LBPRGKRZSA-N 1 0 350.850 2.076 20 30 FEEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000054286796 540581052 /nfs/dbraw/zinc/58/10/52/540581052.db2.gz ULANWCGWGMEQSE-AWEZNQCLSA-N 1 0 372.513 2.423 20 30 FEEDRO N#CC1(C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)CCCCC1 ZINC000057383305 540792712 /nfs/dbraw/zinc/79/27/12/540792712.db2.gz HXTJLSQUKSXREO-UHFFFAOYSA-N 1 0 354.498 2.394 20 30 FEEDRO Cc1ccc(C#N)cc1NC(=O)C(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000057676956 540806945 /nfs/dbraw/zinc/80/69/45/540806945.db2.gz SLCVYXLNFVWLDL-UHFFFAOYSA-N 1 0 350.422 2.053 20 30 FEEDRO COc1ccc(CCNC(=[NH2+])NCc2ccc(N3CCCC3=O)cc2)cc1 ZINC000057887344 540822102 /nfs/dbraw/zinc/82/21/02/540822102.db2.gz CUVSBAVNTBVAIC-UHFFFAOYSA-N 1 0 366.465 2.469 20 30 FEEDRO C[N@H+](C[C@H](O)COc1ccc(C#N)cc1)C[C@@H]1COc2ccccc2O1 ZINC000058422042 540842397 /nfs/dbraw/zinc/84/23/97/540842397.db2.gz HYZYVBUTRBSNPP-FUHWJXTLSA-N 1 0 354.406 2.070 20 30 FEEDRO C[C@@H](OC[C@@H]1CCCO1)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000066022933 541278330 /nfs/dbraw/zinc/27/83/30/541278330.db2.gz FKWWGEXKGVKJKT-APWZRJJASA-N 1 0 359.470 2.033 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1ccc2c(c1)C(=O)NC2=O)C(C)C ZINC000065787826 541261287 /nfs/dbraw/zinc/26/12/87/541261287.db2.gz YPQSJURBWUIOIA-KRWDZBQOSA-N 1 0 370.453 2.390 20 30 FEEDRO C[C@@H]1C[N@@H+](C2CCN(C(=O)/C=C/c3ccc(OCC#N)cc3)CC2)CCO1 ZINC000066396087 541313172 /nfs/dbraw/zinc/31/31/72/541313172.db2.gz XBNUZJOWHRMPQH-BBOMDTFKSA-N 1 0 369.465 2.314 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1cccnc1-n1cncn1)C(C)C ZINC000066669277 541357112 /nfs/dbraw/zinc/35/71/12/541357112.db2.gz OSHWRZOUBBQMNB-QGZVFWFLSA-N 1 0 369.473 2.482 20 30 FEEDRO CCS(=O)(=O)NCC[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000066875684 541384960 /nfs/dbraw/zinc/38/49/60/541384960.db2.gz RKFXPRLTDNAVJU-UHFFFAOYSA-N 1 0 373.478 2.166 20 30 FEEDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)N2CCN(c3cccc(F)c3C#N)CC2)C1 ZINC000067682941 541498688 /nfs/dbraw/zinc/49/86/88/541498688.db2.gz DUIUYCSABBOGST-INIZCTEOSA-N 1 0 373.476 2.259 20 30 FEEDRO C[C@@H]1CN(C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)C[C@@H]1[NH+](C)C ZINC000542962201 541509558 /nfs/dbraw/zinc/50/95/58/541509558.db2.gz QPRGWXISXHTBCN-WBMJQRKESA-N 1 0 356.405 2.297 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)NCCc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000068140366 541554975 /nfs/dbraw/zinc/55/49/75/541554975.db2.gz ONGFYXUGECEDEJ-UHFFFAOYSA-N 1 0 372.856 2.394 20 30 FEEDRO C[NH+]1CCC(C#N)(NC(=O)CCOc2cccc(Br)c2)CC1 ZINC000068432531 541591661 /nfs/dbraw/zinc/59/16/61/541591661.db2.gz CANWMFSXUWRJSL-UHFFFAOYSA-N 1 0 366.259 2.322 20 30 FEEDRO C[C@@H](CC[NH+](C)C)NC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000069425918 541685598 /nfs/dbraw/zinc/68/55/98/541685598.db2.gz SPEQQHNTJPBHLP-GOEBONIOSA-N 1 0 361.465 2.306 20 30 FEEDRO N#Cc1cccc(C[NH2+]CC2CCN(S(=O)(=O)C(F)(F)F)CC2)c1 ZINC000069876079 541722104 /nfs/dbraw/zinc/72/21/04/541722104.db2.gz GTNFFSNHXBYBBS-UHFFFAOYSA-N 1 0 361.389 2.209 20 30 FEEDRO CC[NH+](CC)CCSCC(=O)N1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000072830982 541875868 /nfs/dbraw/zinc/87/58/68/541875868.db2.gz VBKOURSYCSTJMD-IBGZPJMESA-N 1 0 374.554 2.470 20 30 FEEDRO CN(C(=O)NC1CCN(CC#N)CC1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000074878002 542133381 /nfs/dbraw/zinc/13/33/81/542133381.db2.gz HDYDUDLYLYSYFX-FQEVSTJZSA-N 1 0 369.513 2.280 20 30 FEEDRO CC[C@H](CO)[NH+]1CCN([C@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)CC1 ZINC000075962776 542218729 /nfs/dbraw/zinc/21/87/29/542218729.db2.gz UUBNKEFPJRKNQO-RTBURBONSA-N 1 0 372.513 2.019 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cccc(Cl)c2N(C)C)CC1 ZINC000076512928 542288513 /nfs/dbraw/zinc/28/85/13/542288513.db2.gz VYXPCEMIOZKSGJ-UHFFFAOYSA-N 1 0 364.877 2.111 20 30 FEEDRO COc1cc(/C=C/C(=O)NC[C@H](C)C[NH+]2CCCC2)ccc1OCC#N ZINC000077667185 542406149 /nfs/dbraw/zinc/40/61/49/542406149.db2.gz WJJMKAOZMOAEMT-BVBGJJFLSA-N 1 0 357.454 2.459 20 30 FEEDRO CC(C)N1CC[C@@H]([NH2+]CC(=O)NCCC#N)[C@H]1c1ccc(F)c(F)c1 ZINC000801956574 674156693 /nfs/dbraw/zinc/15/66/93/674156693.db2.gz POZFYEFQDSGGED-SJLPKXTDSA-N 1 0 350.413 2.108 20 30 FEEDRO N#CCSc1cccc(C(=O)N2CCC(C[NH+]3CCOCC3)CC2)c1 ZINC000079532840 542524926 /nfs/dbraw/zinc/52/49/26/542524926.db2.gz ONSZIUXYPHHRMB-UHFFFAOYSA-N 1 0 359.495 2.487 20 30 FEEDRO C=CCOCCCC(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000079894332 542548637 /nfs/dbraw/zinc/54/86/37/542548637.db2.gz GDZGKIDEJPCSTF-QGZVFWFLSA-N 1 0 359.470 2.305 20 30 FEEDRO C[C@H]1C[C@H](NC(=O)NC2CCN(CC#N)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000080122536 542567406 /nfs/dbraw/zinc/56/74/06/542567406.db2.gz NPSUCKMPMSUIGM-FXAWDEMLSA-N 1 0 369.513 2.327 20 30 FEEDRO C#CCN(Cc1ccc(F)cc1)C(=O)NC[C@H](C)C[NH+]1CCN(CC)CC1 ZINC000080432896 542589001 /nfs/dbraw/zinc/58/90/01/542589001.db2.gz IEBXXJUUDBBWFB-SFHVURJKSA-N 1 0 374.504 2.244 20 30 FEEDRO COCC[N@H+](C)CC[C@H](NC(=O)c1cc(C#N)cn1C)c1ccccc1 ZINC000081155232 542636707 /nfs/dbraw/zinc/63/67/07/542636707.db2.gz BJZCMZSQRLGSBP-SFHVURJKSA-N 1 0 354.454 2.336 20 30 FEEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000081366533 542651623 /nfs/dbraw/zinc/65/16/23/542651623.db2.gz PNCSKAGKQCRMEK-LSDHHAIUSA-N 1 0 374.510 2.287 20 30 FEEDRO C=CCOc1ccc(C[NH2+]C2CCN(S(=O)(=O)C3CC3)CC2)cc1 ZINC000084962023 542723910 /nfs/dbraw/zinc/72/39/10/542723910.db2.gz QWTCLGQTRZDVNA-UHFFFAOYSA-N 1 0 350.484 2.298 20 30 FEEDRO C=C(C)COCC[NH2+]C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000090450916 542784303 /nfs/dbraw/zinc/78/43/03/542784303.db2.gz XDKHONMZRACBAA-UHFFFAOYSA-N 1 0 352.500 2.330 20 30 FEEDRO Cn1c(C[N@H+](C)CCCc2[nH]nc(N)c2C#N)nc2cc(Cl)ccc21 ZINC000089942866 542776253 /nfs/dbraw/zinc/77/62/53/542776253.db2.gz GWZAAWBYTDDJEU-UHFFFAOYSA-N 1 0 357.849 2.468 20 30 FEEDRO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCCC[C@@H]2C(=O)N2CCOCC2)cc1 ZINC000093014333 542901749 /nfs/dbraw/zinc/90/17/49/542901749.db2.gz GPEDIHMMSIIKHG-VQIMIIECSA-N 1 0 357.454 2.191 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2CCC([NH+]3CCCC3)CC2)cc1Cl ZINC000096997891 543001756 /nfs/dbraw/zinc/00/17/56/543001756.db2.gz OVIKUWUPCGICFJ-UHFFFAOYSA-N 1 0 353.875 2.461 20 30 FEEDRO C[C@H]1CCC[N@@H+](C(C)(C)CNS(=O)(=O)c2ccc(F)c(C#N)c2)C1 ZINC000103156840 543095515 /nfs/dbraw/zinc/09/55/15/543095515.db2.gz VCNWYQQPBYRCEA-ZDUSSCGKSA-N 1 0 353.463 2.486 20 30 FEEDRO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCCC[C@@H]2CC(N)=O)c1C ZINC000103286614 543101193 /nfs/dbraw/zinc/10/11/93/543101193.db2.gz YFZIUDNVPMNCCX-QGZVFWFLSA-N 1 0 356.470 2.280 20 30 FEEDRO CCOc1ccccc1Oc1ccc(CNC(=[NH2+])N2CCOCC2)cn1 ZINC000104164825 543125381 /nfs/dbraw/zinc/12/53/81/543125381.db2.gz LRGVFGYXDYSIAW-UHFFFAOYSA-N 1 0 356.426 2.420 20 30 FEEDRO Cc1cc(C)cc(NC(=[NH2+])NCCS(=O)(=O)NCc2ccccc2)c1 ZINC000104170837 543125661 /nfs/dbraw/zinc/12/56/61/543125661.db2.gz SBGLQHGBEVGZOL-UHFFFAOYSA-N 1 0 360.483 2.150 20 30 FEEDRO C[N@H+](CCNC(=O)N1CCN(c2cccc(F)c2C#N)CC1)C1CCCC1 ZINC000104806176 543145875 /nfs/dbraw/zinc/14/58/75/543145875.db2.gz FAMBFBNXVOSJAJ-UHFFFAOYSA-N 1 0 373.476 2.403 20 30 FEEDRO COc1ccc([C@@H](CNC(=O)N2CCO[C@H](C#N)C2)[NH+]2CCCCC2)cc1 ZINC000106328114 543223266 /nfs/dbraw/zinc/22/32/66/543223266.db2.gz BCCPFDLNUPZGRA-RTBURBONSA-N 1 0 372.469 2.156 20 30 FEEDRO C[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)C1 ZINC000108406664 543289283 /nfs/dbraw/zinc/28/92/83/543289283.db2.gz LPLFLFMPNLGVFF-LBPRGKRZSA-N 1 0 361.389 2.197 20 30 FEEDRO N#Cc1ccc(C(=O)NCC(=O)N2CCC[C@@H]([NH+]3CCCCCC3)C2)cc1 ZINC000108451602 543290416 /nfs/dbraw/zinc/29/04/16/543290416.db2.gz LHBUGZRISNROBR-LJQANCHMSA-N 1 0 368.481 2.155 20 30 FEEDRO C[NH+](C)[C@H]1CCN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)C1 ZINC000109404083 543324081 /nfs/dbraw/zinc/32/40/81/543324081.db2.gz DYAGJAWWHOUXRX-HOTGVXAUSA-N 1 0 359.449 2.012 20 30 FEEDRO C[C@H]([NH2+][C@@H](C)c1ccc(NC(=O)NC2CC2)cc1)C(=O)N(C)CCC#N ZINC000112528641 543450595 /nfs/dbraw/zinc/45/05/95/543450595.db2.gz YONCGRWAPIHHHV-KBPBESRZSA-N 1 0 357.458 2.382 20 30 FEEDRO C=CCN1C(=O)c2ccc(C(=O)N(CC[NH+](C)C)C3CCCC3)cc2C1=O ZINC000112916126 543467762 /nfs/dbraw/zinc/46/77/62/543467762.db2.gz OZLNIOGHGAGFQY-UHFFFAOYSA-N 1 0 369.465 2.415 20 30 FEEDRO C[NH+]1CCN(c2cc(C(=O)N[C@H](C#N)c3ccc(Cl)cc3)ccn2)CC1 ZINC000113174719 543476277 /nfs/dbraw/zinc/47/62/77/543476277.db2.gz RCEGQSPODLXSBD-QGZVFWFLSA-N 1 0 369.856 2.481 20 30 FEEDRO C[C@H](CNC(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1)C[NH+]1CCCC1 ZINC000114589863 543525119 /nfs/dbraw/zinc/52/51/19/543525119.db2.gz KMEAIZJDMZHLGE-UYAOXDASSA-N 1 0 369.513 2.138 20 30 FEEDRO COc1ccc(CCC[NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)cc1OC ZINC000115598401 543577448 /nfs/dbraw/zinc/57/74/48/543577448.db2.gz UNXCAIZROKMEMA-LJQANCHMSA-N 1 0 353.422 2.324 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](C)c2nnnn2-c2ccccc2)CC1 ZINC000115678875 543581004 /nfs/dbraw/zinc/58/10/04/543581004.db2.gz GOWMSESGPSFWIK-HNNXBMFYSA-N 1 0 369.473 2.063 20 30 FEEDRO CC1CCC([NH+]2CCN(C(=O)CNC(=O)c3ccc(C#N)cc3)CC2)CC1 ZINC000115723778 543583179 /nfs/dbraw/zinc/58/31/79/543583179.db2.gz GWOFPEIMQZBLDA-UHFFFAOYSA-N 1 0 368.481 2.011 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CCC[C@@H](C(=O)NC(C)C)C2)CC1 ZINC000116547367 543610291 /nfs/dbraw/zinc/61/02/91/543610291.db2.gz XTYJRHUCNXJNTI-AEFFLSMTSA-N 1 0 364.534 2.410 20 30 FEEDRO C=CCCC[N@@H+]1CCCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000117875830 543641188 /nfs/dbraw/zinc/64/11/88/543641188.db2.gz FDOFVYLBZFVQPN-UHFFFAOYSA-N 1 0 366.483 2.120 20 30 FEEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000118101891 543645261 /nfs/dbraw/zinc/64/52/61/543645261.db2.gz XWOVQZGXXXFAAB-CJNGLKHVSA-N 1 0 374.510 2.333 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N2CSC[C@@H]2C(=O)Nc2cccc(C)c2)CC1 ZINC000120716368 543683598 /nfs/dbraw/zinc/68/35/98/543683598.db2.gz JSELULJSRFCWMU-GOSISDBHSA-N 1 0 371.506 2.180 20 30 FEEDRO C=CC[N@@H+](C)CCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1Cl ZINC000121621664 543697869 /nfs/dbraw/zinc/69/78/69/543697869.db2.gz CEZGZHJJDMRZLS-UHFFFAOYSA-N 1 0 359.879 2.037 20 30 FEEDRO N#CCCN(CCC#N)C(=O)C[NH+]1CCC(c2c[nH]c3ncccc23)CC1 ZINC000118837684 543660300 /nfs/dbraw/zinc/66/03/00/543660300.db2.gz WNZWSIXEAVSNKK-UHFFFAOYSA-N 1 0 364.453 2.398 20 30 FEEDRO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C[C@@H](O)COC1CCOCC1 ZINC000119082417 543663658 /nfs/dbraw/zinc/66/36/58/543663658.db2.gz MQDMTZZRXRMKOE-QGZVFWFLSA-N 1 0 350.415 2.139 20 30 FEEDRO N#CCc1ccc(OC[C@H](O)C[NH+]2CCC(OC[C@H]3CCOC3)CC2)cc1 ZINC000119486345 543668281 /nfs/dbraw/zinc/66/82/81/543668281.db2.gz KOZPKMUYQKFRIN-RBUKOAKNSA-N 1 0 374.481 2.010 20 30 FEEDRO COC(=O)c1cc(CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c[nH]1 ZINC000122830358 543725938 /nfs/dbraw/zinc/72/59/38/543725938.db2.gz VPDXFLPWKWLJBL-UHFFFAOYSA-N 1 0 352.438 2.381 20 30 FEEDRO CO/N=C/c1ccc(C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000122073330 543703131 /nfs/dbraw/zinc/70/31/31/543703131.db2.gz ANJVZFRGUPXDBD-NYJBXQQLSA-N 1 0 359.470 2.165 20 30 FEEDRO CO/N=C/c1ccc(C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)cc1 ZINC000122073788 543703187 /nfs/dbraw/zinc/70/31/87/543703187.db2.gz ANJVZFRGUPXDBD-JKMYOGEHSA-N 1 0 359.470 2.165 20 30 FEEDRO Cc1cccc(NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C)c1Cl ZINC000122163702 543704374 /nfs/dbraw/zinc/70/43/74/543704374.db2.gz OBUXTNJPLBRJEQ-UHFFFAOYSA-N 1 0 350.850 2.281 20 30 FEEDRO N#Cc1cc(F)c(C(=O)NC[C@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)c(F)c1 ZINC000127109647 543973627 /nfs/dbraw/zinc/97/36/27/543973627.db2.gz XQMWXWMGQUPKKF-HZPDHXFCSA-N 1 0 371.387 2.202 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1ccc(C2N=NC(=S)O2)cc1 ZINC000126458715 543937481 /nfs/dbraw/zinc/93/74/81/543937481.db2.gz UTKLFMCQCFFFQP-UHFFFAOYSA-N 1 0 359.455 2.333 20 30 FEEDRO Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+](C)C3CCC(C)(C)CC3)CC2)o1 ZINC000127681996 544007803 /nfs/dbraw/zinc/00/78/03/544007803.db2.gz FEFRZRJRSZASAJ-UHFFFAOYSA-N 1 0 373.501 2.404 20 30 FEEDRO C[NH+]=C(NCC1(c2cccc(F)c2)CC1)N[C@H]1CCCn2nc(C)nc21 ZINC000129127171 544092214 /nfs/dbraw/zinc/09/22/14/544092214.db2.gz BLDLBCYGLPNBSN-INIZCTEOSA-N 1 0 356.449 2.457 20 30 FEEDRO N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CCc3ccccc3[C@H]2CO)cc1 ZINC000129413517 544110878 /nfs/dbraw/zinc/11/08/78/544110878.db2.gz CKAVEWAGNTXRAQ-GHTZIAJQSA-N 1 0 352.434 2.084 20 30 FEEDRO CC[NH+]=C(NCc1ccc(Cl)cc1OC)N[C@H]1CCc2ncnn2C1 ZINC000130540530 544155190 /nfs/dbraw/zinc/15/51/90/544155190.db2.gz OPAOMVZWNLGQJK-AWEZNQCLSA-N 1 0 362.865 2.010 20 30 FEEDRO N#Cc1ccc(OC[C@@H](O)C[NH2+]CCN2CCc3sccc3C2)cc1 ZINC000552226477 674195942 /nfs/dbraw/zinc/19/59/42/674195942.db2.gz CTWYXUPPCPAIMD-KRWDZBQOSA-N 1 0 357.479 2.007 20 30 FEEDRO C=CCOc1cc(OC)ccc1C(=O)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000134907625 544326915 /nfs/dbraw/zinc/32/69/15/544326915.db2.gz JAFGTVRUDKYOKO-INIZCTEOSA-N 1 0 362.470 2.083 20 30 FEEDRO CCOc1ccnc(N2CCC[N@H+](Cc3ccc(OC)c(C#N)c3)CC2)n1 ZINC000135164737 544336543 /nfs/dbraw/zinc/33/65/43/544336543.db2.gz LEMPHJLQDAKKRQ-UHFFFAOYSA-N 1 0 367.453 2.468 20 30 FEEDRO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccc(C#N)cc1F)c1cccc(F)c1 ZINC000135678746 544358620 /nfs/dbraw/zinc/35/86/20/544358620.db2.gz LWBRBEMDDAJQTB-QGZVFWFLSA-N 1 0 372.375 2.194 20 30 FEEDRO N#CCCn1cc(C[NH2+]CCn2cc([N+](=O)[O-])cn2)c(-c2ccccc2)n1 ZINC000151277840 544524252 /nfs/dbraw/zinc/52/42/52/544524252.db2.gz HFBGQASTEGQCIY-UHFFFAOYSA-N 1 0 365.397 2.358 20 30 FEEDRO N#Cc1ccc(NC(=O)CC[NH+]2CCN(c3cccc(O)c3)CC2)cc1 ZINC000153110720 544734384 /nfs/dbraw/zinc/73/43/84/544734384.db2.gz PGHAFYQJPCCGAW-UHFFFAOYSA-N 1 0 350.422 2.415 20 30 FEEDRO CCN(CC)C(=O)[C@@H](c1ccccc1)[N@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000153309979 544758951 /nfs/dbraw/zinc/75/89/51/544758951.db2.gz VSKIVJTXJJYKNV-GOSISDBHSA-N 1 0 368.485 2.338 20 30 FEEDRO C[NH+](C)Cc1ccc(CNC(=O)C(=O)Nc2ccc(F)cc2C#N)cc1F ZINC000153982833 544848158 /nfs/dbraw/zinc/84/81/58/544848158.db2.gz CVXYJHLAJUKFMM-UHFFFAOYSA-N 1 0 372.375 2.153 20 30 FEEDRO CCN1CCCN(S(=O)(=O)c2cc(Br)cc(C#N)c2)CC1 ZINC000155197146 545000426 /nfs/dbraw/zinc/00/04/26/545000426.db2.gz DUWZGJZGYGJBNS-UHFFFAOYSA-N 1 0 372.288 2.037 20 30 FEEDRO Cn1cc(C[NH+]2CCC(Cn3ccnn3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000180287922 327679471 /nfs/dbraw/zinc/67/94/71/327679471.db2.gz WMXULUHHXYANTQ-UHFFFAOYSA-N 1 0 361.453 2.462 20 30 FEEDRO CC[C@H]([NH2+]CCOc1ccccc1C#N)c1cccc(S(N)(=O)=O)c1 ZINC000183031616 327798334 /nfs/dbraw/zinc/79/83/34/327798334.db2.gz HFDCXVSXWZQGAR-KRWDZBQOSA-N 1 0 359.451 2.325 20 30 FEEDRO CCCN(CCC[NH+](C)C)C(=O)CCc1c(C)nc2c(C#N)cnn2c1C ZINC000189275836 328138582 /nfs/dbraw/zinc/13/85/82/328138582.db2.gz OGULDRTYLWJFIK-UHFFFAOYSA-N 1 0 370.501 2.341 20 30 FEEDRO Cn1cc(C[NH2+]CCNC(=O)c2ccc(Br)cc2)cc1C#N ZINC000190844689 328235680 /nfs/dbraw/zinc/23/56/80/328235680.db2.gz NWGSBLNWIKINPA-UHFFFAOYSA-N 1 0 361.243 2.179 20 30 FEEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cn2ccnc2s1 ZINC000191159741 328252249 /nfs/dbraw/zinc/25/22/49/328252249.db2.gz OYQDKDCWZCUYND-UHFFFAOYSA-N 1 0 353.451 2.471 20 30 FEEDRO Cn1cc([C@H]2CSCCN2CCC(=O)Nc2ccc(C#N)cc2)cn1 ZINC000191200611 328253723 /nfs/dbraw/zinc/25/37/23/328253723.db2.gz LWTFSIVACDYOQA-QGZVFWFLSA-N 1 0 355.467 2.410 20 30 FEEDRO COc1cc(CN2CC[C@@H]([NH2+]Cc3cc(C#N)n(C)c3)C2)cc(OC)c1 ZINC000191307028 328259264 /nfs/dbraw/zinc/25/92/64/328259264.db2.gz DCCRZVRKCSGIOJ-QGZVFWFLSA-N 1 0 354.454 2.278 20 30 FEEDRO CC[C@@H](CO)[NH+]1CCN(Cc2cc(C#N)ccc2Br)CC1 ZINC000191799782 328282548 /nfs/dbraw/zinc/28/25/48/328282548.db2.gz IDYPPYSEKUXBJW-HNNXBMFYSA-N 1 0 352.276 2.209 20 30 FEEDRO Cc1cccn2c(C[NH2+][C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)cnc12 ZINC000192244329 328308673 /nfs/dbraw/zinc/30/86/73/328308673.db2.gz WVWCVVUDNWDVDM-IBGZPJMESA-N 1 0 359.433 2.405 20 30 FEEDRO C[NH+](C)CCC1CCN(C(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)CC1 ZINC000192736830 328336410 /nfs/dbraw/zinc/33/64/10/328336410.db2.gz JIEFQDXYLAWJMJ-UHFFFAOYSA-N 1 0 373.501 2.244 20 30 FEEDRO N#Cc1ccccc1S(=O)(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000192988070 328350760 /nfs/dbraw/zinc/35/07/60/328350760.db2.gz XHSZCJXUGARDGR-KRWDZBQOSA-N 1 0 355.463 2.359 20 30 FEEDRO Cc1nc(C#N)c(N2CCC(C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)CC2)o1 ZINC000193345302 328370356 /nfs/dbraw/zinc/37/03/56/328370356.db2.gz PYYVPDOJGHNJTA-ZDUSSCGKSA-N 1 0 361.490 2.164 20 30 FEEDRO C[C@H]1C[NH+](CCC2CCN(C(=O)c3ccnc(C#N)c3)CC2)C[C@H](C)O1 ZINC000193458662 328376843 /nfs/dbraw/zinc/37/68/43/328376843.db2.gz IHUMSYFLAKASKP-HOTGVXAUSA-N 1 0 356.470 2.305 20 30 FEEDRO COc1cc(OC)c(CN2CCN(c3ccc(C#N)cn3)CC2)c(OC)c1 ZINC000193854423 328399106 /nfs/dbraw/zinc/39/91/06/328399106.db2.gz ZXEDUELCBQZJAZ-UHFFFAOYSA-N 1 0 368.437 2.301 20 30 FEEDRO Cc1n[nH]c(C)c1CCC(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000195141344 328457985 /nfs/dbraw/zinc/45/79/85/328457985.db2.gz VHXXEEAAABDNJF-UHFFFAOYSA-N 1 0 353.470 2.421 20 30 FEEDRO C[NH+](C)CCOc1cccc(CNC(=O)NCc2cccc(C#N)c2)c1 ZINC000045814259 324588393 /nfs/dbraw/zinc/58/83/93/324588393.db2.gz LYGSPBHJNXFARG-UHFFFAOYSA-N 1 0 352.438 2.498 20 30 FEEDRO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)Nc1cc(C#N)ccc1OC(C)C ZINC000054850716 324766451 /nfs/dbraw/zinc/76/64/51/324766451.db2.gz VYLNQBLAWQDDLV-CQSZACIVSA-N 1 0 360.458 2.130 20 30 FEEDRO Cc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000063821697 324867542 /nfs/dbraw/zinc/86/75/42/324867542.db2.gz YEMFVGHEOWAQAD-GOSISDBHSA-N 1 0 368.412 2.363 20 30 FEEDRO COC(=O)[C@@H](NC1CC[NH+](CCOC(C)C)CC1)c1cccc(C#N)c1 ZINC000083032553 325211477 /nfs/dbraw/zinc/21/14/77/325211477.db2.gz JHFDRUSIZSZOPG-IBGZPJMESA-N 1 0 359.470 2.251 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2cnc(-c3ccccc3)nc2)c1C#N ZINC000089663260 325325972 /nfs/dbraw/zinc/32/59/72/325325972.db2.gz LXMRGCKQAKCVGA-UHFFFAOYSA-N 1 0 361.409 2.143 20 30 FEEDRO CCc1ccc(C(=O)Nc2n[nH]c(CCC[NH2+]C)c2C#N)cc1[N+](=O)[O-] ZINC000089674156 325326049 /nfs/dbraw/zinc/32/60/49/325326049.db2.gz QWKYSWKMRKVBQN-UHFFFAOYSA-N 1 0 356.386 2.156 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2ccn(-c3ccccc3F)n2)c1C#N ZINC000089663216 325326159 /nfs/dbraw/zinc/32/61/59/325326159.db2.gz LXUICROSJOAOCK-UHFFFAOYSA-N 1 0 367.388 2.010 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@H]2SCCc3ccccc32)c1C#N ZINC000089662409 325326329 /nfs/dbraw/zinc/32/63/29/325326329.db2.gz VDEYXQJAVWOQET-INIZCTEOSA-N 1 0 355.467 2.402 20 30 FEEDRO C[C@@H](NC(=O)c1ccc(C#N)cn1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000107472280 325628712 /nfs/dbraw/zinc/62/87/12/325628712.db2.gz UXQCELPSOQSQMF-CQSZACIVSA-N 1 0 367.428 2.335 20 30 FEEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC([NH2+]C2CCCC2)CC1 ZINC000109924258 325680777 /nfs/dbraw/zinc/68/07/77/325680777.db2.gz GAQSGNUDTYMXKD-UHFFFAOYSA-N 1 0 370.497 2.319 20 30 FEEDRO C[C@@H](Oc1cccnc1)C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000117771559 326070233 /nfs/dbraw/zinc/07/02/33/326070233.db2.gz RKHYLFJIACGUPF-MRXNPFEDSA-N 1 0 352.438 2.311 20 30 FEEDRO CC[N@H+](C)CCNC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000118109484 326082147 /nfs/dbraw/zinc/08/21/47/326082147.db2.gz GILLOPXLOQXUIT-UHFFFAOYSA-N 1 0 366.421 2.357 20 30 FEEDRO C[NH+](C)C[C@@H](Cc1ccccc1)NS(=O)(=O)Cc1cccc(C#N)c1 ZINC000119972057 326217250 /nfs/dbraw/zinc/21/72/50/326217250.db2.gz APOPIXFXWJKMSB-LJQANCHMSA-N 1 0 357.479 2.151 20 30 FEEDRO N#Cc1cc(NC(=O)C(=O)N2CC[NH+](C3CCCC3)CC2)ccc1Cl ZINC000120436443 326258735 /nfs/dbraw/zinc/25/87/35/326258735.db2.gz VKRCZRZZDKSXKS-UHFFFAOYSA-N 1 0 360.845 2.237 20 30 FEEDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)Nc2cc(C#N)ccc2Cl)C1 ZINC000122159240 326386112 /nfs/dbraw/zinc/38/61/12/326386112.db2.gz UOPQFWWFFUFWAW-CZUORRHYSA-N 1 0 360.845 2.093 20 30 FEEDRO N#Cc1cc(F)c(S(=O)(=O)N2CCC[C@H]2C[NH+]2CCCCC2)c(F)c1 ZINC000125030881 326464302 /nfs/dbraw/zinc/46/43/02/326464302.db2.gz XYUCZGHHGZYSBO-AWEZNQCLSA-N 1 0 369.437 2.475 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2cccc(Br)c2)c1C#N ZINC000128192340 326519474 /nfs/dbraw/zinc/51/94/74/326519474.db2.gz TULWVJVRMCVJNS-UHFFFAOYSA-N 1 0 362.231 2.448 20 30 FEEDRO CCO[C@H]1C[C@H](O)C12CC[NH+](CCC(=O)Nc1cccc(C#N)c1)CC2 ZINC000152706285 326714387 /nfs/dbraw/zinc/71/43/87/326714387.db2.gz PSAWJNZDMXQRFU-ROUUACIJSA-N 1 0 357.454 2.139 20 30 FEEDRO N#Cc1ccc(CCC(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000160192849 326956622 /nfs/dbraw/zinc/95/66/22/326956622.db2.gz YXEZDWBBYNZDEB-PMACEKPBSA-N 1 0 355.482 2.375 20 30 FEEDRO C[NH+]1CCN(c2ccc(CNC(=O)c3ccc(C#N)c(Cl)c3)cn2)CC1 ZINC000160594450 326970745 /nfs/dbraw/zinc/97/07/45/326970745.db2.gz KKEHYXDIPMYPHV-UHFFFAOYSA-N 1 0 369.856 2.288 20 30 FEEDRO CC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000162197787 327019625 /nfs/dbraw/zinc/01/96/25/327019625.db2.gz GTLOQSWFVWZSDY-CYBMUJFWSA-N 1 0 372.288 2.083 20 30 FEEDRO Cc1nc(C#N)c(N2CCN(C(=O)C[NH2+][C@H]3CCCC[C@@H]3C(C)C)CC2)o1 ZINC000162601008 327029629 /nfs/dbraw/zinc/02/96/29/327029629.db2.gz GKCFUFZIPDIOCW-SJORKVTESA-N 1 0 373.501 2.308 20 30 FEEDRO CC(C)C[N@@H+]1CCC[C@@H](CNS(=O)(=O)Cc2cc(C#N)ccc2F)C1 ZINC000165222869 327077082 /nfs/dbraw/zinc/07/70/82/327077082.db2.gz SQSIKXHDNRSZFR-INIZCTEOSA-N 1 0 367.490 2.485 20 30 FEEDRO C[NH+](C)CCNC(=O)c1cccc(CNc2ccc([N+](=O)[O-])c(C#N)c2)c1 ZINC000166339845 327081422 /nfs/dbraw/zinc/08/14/22/327081422.db2.gz ADCKNEIJWRTYAV-UHFFFAOYSA-N 1 0 367.409 2.370 20 30 FEEDRO CCN(Cc1ccc(C[NH+](C)C)cc1)S(=O)(=O)c1ccc(C#N)nc1 ZINC000171114945 327119014 /nfs/dbraw/zinc/11/90/14/327119014.db2.gz HRZJWSWCQHRDAH-UHFFFAOYSA-N 1 0 358.467 2.226 20 30 FEEDRO N#Cc1ccc(C(=O)NCC(=O)NC2CC[NH+](CC3CCCC3)CC2)cc1 ZINC000171117501 327119367 /nfs/dbraw/zinc/11/93/67/327119367.db2.gz WNQUQKGSVMHAJY-UHFFFAOYSA-N 1 0 368.481 2.059 20 30 FEEDRO CC(C)CCn1cc(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)nn1 ZINC000172583477 327209707 /nfs/dbraw/zinc/20/97/07/327209707.db2.gz LMTPBRCDFZLYFX-UHFFFAOYSA-N 1 0 368.485 2.400 20 30 FEEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000174540770 327333516 /nfs/dbraw/zinc/33/35/16/327333516.db2.gz ZQUYGXUJIURWHF-QGZVFWFLSA-N 1 0 370.497 2.130 20 30 FEEDRO Cc1cccc(NC(=O)C(=O)NC[C@H](c2cccs2)[NH+](C)C)c1C#N ZINC000174568708 327335413 /nfs/dbraw/zinc/33/54/13/327335413.db2.gz JMWGEWCVKZOZJH-OAHLLOKOSA-N 1 0 356.451 2.286 20 30 FEEDRO N#Cc1c[nH]c(C(=O)NCCCC[NH+]2CCN(Cc3ccccc3)CC2)c1 ZINC000175355578 327388845 /nfs/dbraw/zinc/38/88/45/327388845.db2.gz DIVAVPXZOCMCBX-UHFFFAOYSA-N 1 0 365.481 2.214 20 30 FEEDRO N#Cc1c[nH]c(C(=O)NCCC[NH+]2CCN(c3cccc(Cl)c3)CC2)c1 ZINC000175596560 327401466 /nfs/dbraw/zinc/40/14/66/327401466.db2.gz RVKNXCAXNWDVGA-UHFFFAOYSA-N 1 0 371.872 2.482 20 30 FEEDRO N#Cc1cc(NC(=O)C(=O)NC2CC[NH+](C3CCCC3)CC2)ccc1F ZINC000176372098 327451880 /nfs/dbraw/zinc/45/18/80/327451880.db2.gz RNQBHMABYCXUMQ-UHFFFAOYSA-N 1 0 358.417 2.159 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)c(Cl)c1 ZINC000261925936 328829755 /nfs/dbraw/zinc/82/97/55/328829755.db2.gz SGEJUDMLANSPCC-OAHLLOKOSA-N 1 0 353.875 2.364 20 30 FEEDRO N#Cc1cc(S(=O)(=O)N[C@H]2CCCC[C@@H]2C[NH3+])ccc1C(F)(F)F ZINC000262006959 328834662 /nfs/dbraw/zinc/83/46/62/328834662.db2.gz GWMOCRHFTASTQZ-YGRLFVJLSA-N 1 0 361.389 2.373 20 30 FEEDRO C[NH+](C)C1(CNC(=O)C(=O)Nc2ccc(F)c(C#N)c2)CCCCCC1 ZINC000263998511 328983020 /nfs/dbraw/zinc/98/30/20/328983020.db2.gz CPHZIAOXNDCLHZ-UHFFFAOYSA-N 1 0 360.433 2.407 20 30 FEEDRO C[NH+](C)CCN(Cc1ccccc1)S(=O)(=O)Cc1cccc(C#N)c1 ZINC000264460074 329025537 /nfs/dbraw/zinc/02/55/37/329025537.db2.gz GNIIWMZSNRXBEL-UHFFFAOYSA-N 1 0 357.479 2.452 20 30 FEEDRO C[C@H](NC(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1)c1ccc(C#N)cc1 ZINC000264518199 329032003 /nfs/dbraw/zinc/03/20/03/329032003.db2.gz HDTRKXGLXZHIQM-PXNSSMCTSA-N 1 0 369.513 2.431 20 30 FEEDRO CC[NH+]1CCN(CCCNC(=O)CCCCOc2cccc(C#N)c2)CC1 ZINC000264833628 329065868 /nfs/dbraw/zinc/06/58/68/329065868.db2.gz ZYWKBXLIERRIDV-UHFFFAOYSA-N 1 0 372.513 2.251 20 30 FEEDRO Cc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000265746629 329156162 /nfs/dbraw/zinc/15/61/62/329156162.db2.gz FIDZVUDPHTUJHR-UHFFFAOYSA-N 1 0 354.454 2.282 20 30 FEEDRO CCN(CC)C(=O)C1([NH2+]CC(=O)NCc2ccc(C#N)cc2)CCCCC1 ZINC000265995183 329180120 /nfs/dbraw/zinc/18/01/20/329180120.db2.gz LLVLSNYRMQNVBT-UHFFFAOYSA-N 1 0 370.497 2.335 20 30 FEEDRO C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000267293175 329311318 /nfs/dbraw/zinc/31/13/18/329311318.db2.gz VZMQKJPEXRUOKF-INIZCTEOSA-N 1 0 359.470 2.285 20 30 FEEDRO CCc1nnc(N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)c(C#N)c1CC ZINC000268162911 329392247 /nfs/dbraw/zinc/39/22/47/329392247.db2.gz ILDXSBNAMSQUFK-MRXNPFEDSA-N 1 0 356.518 2.079 20 30 FEEDRO N#Cc1cccc(C2(NC(=O)NC3CC[NH+]([C@H]4CCC[C@@H]4O)CC3)CC2)c1 ZINC000269730478 329544262 /nfs/dbraw/zinc/54/42/62/329544262.db2.gz UXSCRINBKHGRCC-OALUTQOASA-N 1 0 368.481 2.224 20 30 FEEDRO C[C@@H]([NH2+]CC(=O)N(CCC(N)=O)Cc1ccccc1)c1ccc(C#N)cc1 ZINC000271719488 329718748 /nfs/dbraw/zinc/71/87/48/329718748.db2.gz XKVVMVXDGQKJMQ-MRXNPFEDSA-N 1 0 364.449 2.113 20 30 FEEDRO COc1cc(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)ccc1O ZINC000272621158 329798228 /nfs/dbraw/zinc/79/82/28/329798228.db2.gz QXCAVKNXVPTVSU-UHFFFAOYSA-N 1 0 353.422 2.476 20 30 FEEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)NCC1(C)CC[NH+](C)CC1 ZINC000272708112 329806510 /nfs/dbraw/zinc/80/65/10/329806510.db2.gz QXTDABUWVXGQTQ-UHFFFAOYSA-N 1 0 372.469 2.132 20 30 FEEDRO N#Cc1ccc(Cl)c(S(=O)(=O)N2CC[C@H]([NH+]3CCCCC3)C2)c1 ZINC000274633817 329966668 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/nfs/dbraw/zinc/67/94/27/545679427.db2.gz HSCWXMLREMIGKS-XLIONFOSSA-N 1 0 373.522 2.281 20 30 FEEDRO C[NH+](C)CCN1CCC(NC(=O)N[C@H](CCC#N)c2ccccc2)CC1 ZINC000157448101 545743816 /nfs/dbraw/zinc/74/38/16/545743816.db2.gz IBMAYQQRLMKJGB-LJQANCHMSA-N 1 0 357.502 2.357 20 30 FEEDRO CC(C)C(=O)NCCN(C)CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000157510709 545750631 /nfs/dbraw/zinc/75/06/31/545750631.db2.gz GFSHWCXPRGRDHN-UHFFFAOYSA-N 1 0 364.877 2.291 20 30 FEEDRO COc1cc(C#N)ccc1OCC[N@H+](C)C[C@H]1CCCN1c1cccnn1 ZINC000157932184 545801160 /nfs/dbraw/zinc/80/11/60/545801160.db2.gz CIQTUOYLKDCCPN-QGZVFWFLSA-N 1 0 367.453 2.336 20 30 FEEDRO COc1ccc(C[NH2+]CCN(C)S(=O)(=O)c2cccs2)cc1C#N ZINC000158323275 545849286 /nfs/dbraw/zinc/84/92/86/545849286.db2.gz AGZJLQTWCNSGRM-UHFFFAOYSA-N 1 0 365.480 2.039 20 30 FEEDRO C=CCN(CCOC)C(=O)NCCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000478757459 561174168 /nfs/dbraw/zinc/17/41/68/561174168.db2.gz IYVWJGZCOPBDBV-UHFFFAOYSA-N 1 0 374.529 2.351 20 30 FEEDRO COc1ccccc1CNC(=[NH2+])NC[C@H](c1cccs1)N1CCOCC1 ZINC000170906000 546181266 /nfs/dbraw/zinc/18/12/66/546181266.db2.gz MABRFUDVEBXRPQ-MRXNPFEDSA-N 1 0 374.510 2.235 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)[C@@H]2CCN(c3ccc(Cl)cc3)C2=O)CC1 ZINC000171715447 546220058 /nfs/dbraw/zinc/22/00/58/546220058.db2.gz BVPSDNQBKDFQSH-KRWDZBQOSA-N 1 0 361.873 2.460 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CC1 ZINC000171718553 546220090 /nfs/dbraw/zinc/22/00/90/546220090.db2.gz IMZFFINXGSZXJM-UHFFFAOYSA-N 1 0 355.398 2.161 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)c2ccc(NS(=O)(=O)CCC)cc2)CC1 ZINC000171715164 546220510 /nfs/dbraw/zinc/22/05/10/546220510.db2.gz FSEGXAVNEXERDW-UHFFFAOYSA-N 1 0 365.499 2.219 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)CSCC(=O)Nc2ccc(C)cc2)CC1 ZINC000171726998 546221539 /nfs/dbraw/zinc/22/15/39/546221539.db2.gz PLMNHHMSEOBACG-UHFFFAOYSA-N 1 0 361.511 2.433 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)[C@@H](NC(=O)c2ccccc2F)C(C)C)CC1 ZINC000171724747 546221877 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FEEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CCC[C@H](OCCO)C2)c1 ZINC000172295531 546244870 /nfs/dbraw/zinc/24/48/70/546244870.db2.gz DJFKDBJKFQKCDE-ICSRJNTNSA-N 1 0 373.497 2.412 20 30 FEEDRO CC[C@@H]1Oc2cc([C@@H](C)[NH2+][C@@H](C)C(=O)N(C)CCC#N)ccc2NC1=O ZINC000173226611 546276348 /nfs/dbraw/zinc/27/63/48/546276348.db2.gz CCOVINHPJPAUMW-WWGRRREGSA-N 1 0 358.442 2.207 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)[C@H]2CCN(c3cccc(Cl)c3)C2=O)CC1 ZINC000173579012 546283533 /nfs/dbraw/zinc/28/35/33/546283533.db2.gz IOPKQVZQRDMCEE-QGZVFWFLSA-N 1 0 361.873 2.460 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)Nc1nc(C)cs1)C(C)C ZINC000175846741 546361415 /nfs/dbraw/zinc/36/14/15/546361415.db2.gz JCPUMLKSZOTJLW-AWEZNQCLSA-N 1 0 350.488 2.205 20 30 FEEDRO N#CCCN(CCC#N)C(=O)C[N@H+]1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000175851627 546362172 /nfs/dbraw/zinc/36/21/72/546362172.db2.gz BTENQAFJFZTROE-CVEARBPZSA-N 1 0 360.483 2.292 20 30 FEEDRO C[C@H]1CCC[C@@](CNC(=O)C(=O)Nc2ccc(F)cc2C#N)([NH+](C)C)C1 ZINC000175966468 546381532 /nfs/dbraw/zinc/38/15/32/546381532.db2.gz FBBRRKQIYHFBGT-ORAYPTAESA-N 1 0 360.433 2.263 20 30 FEEDRO CC(C)[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)C(=O)Nc1ccc(F)cc1C#N)C2 ZINC000176004261 546388705 /nfs/dbraw/zinc/38/87/05/546388705.db2.gz VVYWYPMHLKNQJY-JKSUJKDBSA-N 1 0 358.417 2.110 20 30 FEEDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)c1cc(C#N)cn1C ZINC000176043474 546395844 /nfs/dbraw/zinc/39/58/44/546395844.db2.gz XEKYAEWHUZZUDX-SFHVURJKSA-N 1 0 351.454 2.418 20 30 FEEDRO Cc1cccc(N2CC[NH+](CCCNC(=O)NCC(C)(C)C#N)CC2)c1 ZINC000480519419 561211020 /nfs/dbraw/zinc/21/10/20/561211020.db2.gz PLHXPORYYLNJOK-UHFFFAOYSA-N 1 0 357.502 2.356 20 30 FEEDRO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000176898876 546504429 /nfs/dbraw/zinc/50/44/29/546504429.db2.gz OECCIIOYFBSDKX-QGZVFWFLSA-N 1 0 356.470 2.369 20 30 FEEDRO C[C@H](CCNS(=O)(=O)Cc1ccc(C#N)cc1F)[NH+]1CCCCC1 ZINC000480695849 561214600 /nfs/dbraw/zinc/21/46/00/561214600.db2.gz URNIPJOFQROINI-CQSZACIVSA-N 1 0 353.463 2.381 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2sc(C)nc2CC(C)C)CC1 ZINC000177893348 546703139 /nfs/dbraw/zinc/70/31/39/546703139.db2.gz GOPQRHJDAXGIFW-UHFFFAOYSA-N 1 0 364.515 2.355 20 30 FEEDRO C=CCN1CCC([NH2+][C@@H](C)c2ccc(S(C)(=O)=O)c(OC)c2)CC1 ZINC000177908622 546706016 /nfs/dbraw/zinc/70/60/16/546706016.db2.gz MDBAHTDSDBDSSC-AWEZNQCLSA-N 1 0 352.500 2.400 20 30 FEEDRO Cc1c(C#N)cccc1NC(=O)C(=O)NCC[N@@H+](C)Cc1ccc(F)cc1 ZINC000178512377 546806166 /nfs/dbraw/zinc/80/61/66/546806166.db2.gz QYYJVJCYEWFXEQ-UHFFFAOYSA-N 1 0 368.412 2.193 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)[C@@H]2CCc3[nH]nc(C(F)(F)F)c3C2)CC1 ZINC000178814932 546854877 /nfs/dbraw/zinc/85/48/77/546854877.db2.gz JGQYDLSPGWGHTP-LLVKDONJSA-N 1 0 356.392 2.300 20 30 FEEDRO C=CC[C@@H](CO)C[NH2+][C@H](CC)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481678197 561238495 /nfs/dbraw/zinc/23/84/95/561238495.db2.gz PHERRGJVFIZVTQ-IUODEOHRSA-N 1 0 360.907 2.473 20 30 FEEDRO N#CCOc1cccc(CC(=O)NC2CC[NH+](Cc3cccnc3)CC2)c1 ZINC000179059703 546893823 /nfs/dbraw/zinc/89/38/23/546893823.db2.gz HVHBCQTZVQRKOH-UHFFFAOYSA-N 1 0 364.449 2.307 20 30 FEEDRO CCC[C@@H]1CN(C(=O)NCc2ccc(OCC#N)cc2)CC[N@@H+]1CCOC ZINC000179533591 546971869 /nfs/dbraw/zinc/97/18/69/546971869.db2.gz QCVXPXUPMNRHAJ-GOSISDBHSA-N 1 0 374.485 2.231 20 30 FEEDRO CC[C@@H]1Oc2cc([C@@H](C)[NH2+]CC(=O)N(CC)CCC#N)ccc2NC1=O ZINC000180004199 547037296 /nfs/dbraw/zinc/03/72/96/547037296.db2.gz HRMRJEOAPXHGHR-CJNGLKHVSA-N 1 0 358.442 2.209 20 30 FEEDRO C[C@@H](C#N)Oc1ccccc1NC(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000180014674 547039584 /nfs/dbraw/zinc/03/95/84/547039584.db2.gz PCDGJHDWELOOQS-HNNXBMFYSA-N 1 0 359.474 2.125 20 30 FEEDRO C=CCNC(=O)CNC(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000180339755 547087203 /nfs/dbraw/zinc/08/72/03/547087203.db2.gz DPSLDIAAUOGRLE-INIZCTEOSA-N 1 0 358.486 2.162 20 30 FEEDRO C#Cc1cccc(NC(=O)C(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000180402521 547101926 /nfs/dbraw/zinc/10/19/26/547101926.db2.gz GRBWDARMSTVDKQ-DOTOQJQBSA-N 1 0 353.466 2.376 20 30 FEEDRO C[C@H]([NH2+]CC(=O)N[C@](C)(C#N)C1CC1)c1ccc(N2CCOC2=O)cc1 ZINC000181268778 547283792 /nfs/dbraw/zinc/28/37/92/547283792.db2.gz DPGFXNZKXJXXQI-ORAYPTAESA-N 1 0 356.426 2.102 20 30 FEEDRO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@H](C)c1cccc(N2CCOC2=O)c1 ZINC000181309219 547291259 /nfs/dbraw/zinc/29/12/59/547291259.db2.gz KHJXALXEUOELHK-HUUCEWRRSA-N 1 0 358.442 2.302 20 30 FEEDRO C[C@@H]1OCC[C@H]1[N@H+](CCO)CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000483315388 561274024 /nfs/dbraw/zinc/27/40/24/561274024.db2.gz OYDAWPSSFYRJCP-BLLLJJGKSA-N 1 0 351.834 2.012 20 30 FEEDRO N#Cc1ccc(CNC(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000181567476 547337633 /nfs/dbraw/zinc/33/76/33/547337633.db2.gz HBGYRVOCLHFVSF-HXUWFJFHSA-N 1 0 364.449 2.124 20 30 FEEDRO C[C@@H]([NH2+]C[C@]1(N2CCOCC2)CCSC1)c1ccc(OCC#N)cc1 ZINC000181578482 547338598 /nfs/dbraw/zinc/33/85/98/547338598.db2.gz OFKSKSUONGJOFO-VQIMIIECSA-N 1 0 361.511 2.447 20 30 FEEDRO CC[C@@H]([NH2+]CC(=O)N1CCN([C@H](C#N)C(C)C)CC1)c1ccc(OC)cc1 ZINC000181822639 547387221 /nfs/dbraw/zinc/38/72/21/547387221.db2.gz CBUOORHVARGKOP-WOJBJXKFSA-N 1 0 372.513 2.428 20 30 FEEDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)C(=O)Nc2ccccc2O[C@@H](C)C#N)C1 ZINC000181880915 547396992 /nfs/dbraw/zinc/39/69/92/547396992.db2.gz CETIAYYZIFJHEG-HOTGVXAUSA-N 1 0 372.469 2.106 20 30 FEEDRO CCCNC(=O)[C@@H]1CCC[N@@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000182718047 547540520 /nfs/dbraw/zinc/54/05/20/547540520.db2.gz GYMNPFJPWZQPEZ-IEBWSBKVSA-N 1 0 368.481 2.292 20 30 FEEDRO C=CC[C@@H](CO)NC(=O)NCc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000183010348 547588046 /nfs/dbraw/zinc/58/80/46/547588046.db2.gz NUQYFJRDRXPPKW-FCEWJHQRSA-N 1 0 361.486 2.032 20 30 FEEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+][C@@H](CCO)C2CCCCC2)c1 ZINC000183713659 547705687 /nfs/dbraw/zinc/70/56/87/547705687.db2.gz SXBPCABCDRRACH-SFHVURJKSA-N 1 0 350.484 2.253 20 30 FEEDRO COCCOc1ccc(C#N)cc1NC(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000184607257 547853206 /nfs/dbraw/zinc/85/32/06/547853206.db2.gz CQPBDNYURQRHMZ-OAHLLOKOSA-N 1 0 360.458 2.437 20 30 FEEDRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)Nc1ccccc1O[C@@H](C)C#N ZINC000184617732 547855244 /nfs/dbraw/zinc/85/52/44/547855244.db2.gz YSLYOAKYIHAIAY-CVEARBPZSA-N 1 0 359.474 2.125 20 30 FEEDRO C[C@@H](C#N)Oc1ccccc1NC(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1 ZINC000184617717 547855284 /nfs/dbraw/zinc/85/52/84/547855284.db2.gz YSLYOAKYIHAIAY-HOTGVXAUSA-N 1 0 359.474 2.125 20 30 FEEDRO COc1cc(C#N)ccc1S(=O)(=O)NCCC[N@@H+]1CCCC[C@H]1C ZINC000185406798 547980739 /nfs/dbraw/zinc/98/07/39/547980739.db2.gz FBVRDBCBKTVCTD-CQSZACIVSA-N 1 0 351.472 2.110 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(OCCCC)nc2)CC1 ZINC000187960688 548268392 /nfs/dbraw/zinc/26/83/92/548268392.db2.gz LCCSNNJCCRMBTM-UHFFFAOYSA-N 1 0 374.485 2.356 20 30 FEEDRO C=CCOc1ccccc1CNC(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000188701391 548285417 /nfs/dbraw/zinc/28/54/17/548285417.db2.gz SPJLYTHQYCPPRU-MRXNPFEDSA-N 1 0 361.486 2.238 20 30 FEEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@H+](C)CC2(O)CCOCC2)c1 ZINC000189780602 548310791 /nfs/dbraw/zinc/31/07/91/548310791.db2.gz RJNZEESCVBCODM-GOSISDBHSA-N 1 0 373.497 2.412 20 30 FEEDRO CCO[C@@H]1C[C@@](CO)([NH2+]CC(=O)N(CCC#N)c2ccccc2)C1(C)C ZINC000189994754 548315580 /nfs/dbraw/zinc/31/55/80/548315580.db2.gz VBAQEWOGKASLNA-XLIONFOSSA-N 1 0 359.470 2.089 20 30 FEEDRO COc1cc([C@H](C#N)NC(=O)C2CC[NH+](C3CC3)CC2)cc(OC)c1OC ZINC000486448318 561347385 /nfs/dbraw/zinc/34/73/85/561347385.db2.gz GPPROJMWLOSPOY-INIZCTEOSA-N 1 0 373.453 2.268 20 30 FEEDRO CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000192128952 548360000 /nfs/dbraw/zinc/36/00/00/548360000.db2.gz UGXIEDLVFOHMRA-CGTJXYLNSA-N 1 0 351.397 2.439 20 30 FEEDRO N#CCOc1ccc(CNc2cc(N3CCCC[C@H]3CO)ncn2)cc1 ZINC000192302120 548362965 /nfs/dbraw/zinc/36/29/65/548362965.db2.gz YOMZQDKEVZLWJB-INIZCTEOSA-N 1 0 353.426 2.342 20 30 FEEDRO COc1cc(CCNC(=[NH2+])N2CCC(C)CC2)c([N+](=O)[O-])cc1OC ZINC000194684707 548515775 /nfs/dbraw/zinc/51/57/75/548515775.db2.gz NVMKHAYINYECAD-UHFFFAOYSA-N 1 0 350.419 2.201 20 30 FEEDRO C=CCc1ccc(OC[C@H](O)CN2CC[N@H+](C)[C@H](C(C)C)C2)c(OC)c1 ZINC000487995896 561380785 /nfs/dbraw/zinc/38/07/85/561380785.db2.gz BFIVFGZIPXPCLE-MOPGFXCFSA-N 1 0 362.514 2.435 20 30 FEEDRO CCC[C@@H]1CN([C@H](C)C(=O)Nc2cccc(C#N)c2)CC[N@@H+]1CCOC ZINC000245863652 549006188 /nfs/dbraw/zinc/00/61/88/549006188.db2.gz FSHDDDZMXDINPI-VQIMIIECSA-N 1 0 358.486 2.318 20 30 FEEDRO N#Cc1ccc(NC(=O)CC[N@@H+]2CCO[C@@H]([C@H]3CCCO3)C2)cc1Cl ZINC000246786819 549211772 /nfs/dbraw/zinc/21/17/72/549211772.db2.gz CPSROHDCZKFKLR-IAGOWNOFSA-N 1 0 363.845 2.420 20 30 FEEDRO C[NH+](C)[C@H](CNS(=O)(=O)c1ccc(F)c(C#N)c1)Cc1ccccc1 ZINC000488965730 561400620 /nfs/dbraw/zinc/40/06/20/561400620.db2.gz AEPGGTJWYWKVFO-INIZCTEOSA-N 1 0 361.442 2.149 20 30 FEEDRO Cc1ncc(S(=O)(=O)N(CCC[NH+](C)C)Cc2ccccc2)cc1C#N ZINC000489053370 561402332 /nfs/dbraw/zinc/40/23/32/561402332.db2.gz RCCZUBKCMGVKIC-UHFFFAOYSA-N 1 0 372.494 2.404 20 30 FEEDRO C[C@H](CNC(=O)Nc1cnn(-c2ncccc2C#N)c1)[N@@H+]1CCC[C@H](C)C1 ZINC000248393383 549427146 /nfs/dbraw/zinc/42/71/46/549427146.db2.gz LPXCNJZAQVVRME-LSDHHAIUSA-N 1 0 367.457 2.381 20 30 FEEDRO C=CC[C@H](CO)NC(=O)N[C@@H]1CC[N@H+](C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000248605462 549466795 /nfs/dbraw/zinc/46/67/95/549466795.db2.gz WBZQTVLMIWNLRC-ATZDWAIDSA-N 1 0 359.470 2.209 20 30 FEEDRO CO[C@@H]1CC[C@@H]2OCCN([C@H]3CCCN(c4ccc(C#N)cc4)C3=O)[C@H]2C1 ZINC000248734751 549492608 /nfs/dbraw/zinc/49/26/08/549492608.db2.gz KKHOSXYXWAJQQX-FYQPLNBISA-N 1 0 369.465 2.322 20 30 FEEDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NS(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000489589207 561414868 /nfs/dbraw/zinc/41/48/68/561414868.db2.gz UJDACQCFHXWURA-MCIONIFRSA-N 1 0 353.463 2.342 20 30 FEEDRO CN1C(=O)C[C@H]([NH2+]CC(=O)N[C@@](C)(C#N)C2CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000248983154 549536081 /nfs/dbraw/zinc/53/60/81/549536081.db2.gz FXATZRSYAXLBDV-SNRMKQJTSA-N 1 0 374.872 2.010 20 30 FEEDRO CCOCCC[N@@H+]1CC[C@H](NCC(=O)Nc2ccc(C#N)cc2)[C@@H](C)C1 ZINC000249288118 549577023 /nfs/dbraw/zinc/57/70/23/549577023.db2.gz LYELFEBJBUJBBO-LPHOPBHVSA-N 1 0 358.486 2.223 20 30 FEEDRO C[C@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)[C@@H](C(N)=O)C1 ZINC000249527858 549600823 /nfs/dbraw/zinc/60/08/23/549600823.db2.gz AILITEJTJFVCRL-SMDDNHRTSA-N 1 0 360.483 2.023 20 30 FEEDRO COCC[N@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)[C@@H]1CCOC1 ZINC000490057824 561425475 /nfs/dbraw/zinc/42/54/75/561425475.db2.gz UCSGWQAGWKDZMS-OAHLLOKOSA-N 1 0 351.834 2.278 20 30 FEEDRO CC[S@](=O)[C@@H]1CCC[C@H](N/C(NCc2cn3ccsc3n2)=[NH+]/C)C1 ZINC000261626332 549735411 /nfs/dbraw/zinc/73/54/11/549735411.db2.gz BXZLMHIABRMQHY-YZYGWBJASA-N 1 0 367.544 2.141 20 30 FEEDRO C[NH+]=C(NCc1nn(-c2ccccc2)c2c1CCC2)N(C)C[C@H]1CCOC1 ZINC000261729500 549748778 /nfs/dbraw/zinc/74/87/78/549748778.db2.gz XZKGWHKWDURIMS-MRXNPFEDSA-N 1 0 367.497 2.405 20 30 FEEDRO C[NH+]=C(NCc1coc(-c2cccs2)n1)N1CCC[C@@H](CC(N)=O)C1 ZINC000261750857 549751372 /nfs/dbraw/zinc/75/13/72/549751372.db2.gz LTCQKYGTKMABJN-LBPRGKRZSA-N 1 0 361.471 2.066 20 30 FEEDRO N#Cc1cc(S(=O)(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)ccc1C(F)(F)F ZINC000262094501 549787830 /nfs/dbraw/zinc/78/78/30/549787830.db2.gz SCCQOBWTDNWDFM-ZBINZKHDSA-N 1 0 373.400 2.325 20 30 FEEDRO CCS(=O)(=O)c1ccc(CNC(=[NH2+])N[C@@H]2CCOc3ccccc32)cc1 ZINC000262097731 549788750 /nfs/dbraw/zinc/78/87/50/549788750.db2.gz HELVHGYODZIUOV-QGZVFWFLSA-N 1 0 373.478 2.408 20 30 FEEDRO C[C@H](NC(=[NH+]CC(=O)N(C)C)N1CCC2(C1)CCOCC2)c1ccccc1 ZINC000262334441 549811818 /nfs/dbraw/zinc/81/18/18/549811818.db2.gz VRKPQWWKIJFHAP-KRWDZBQOSA-N 1 0 372.513 2.284 20 30 FEEDRO CC[NH+]=C(NC[C@]1(O)CCSC1)N1CC[C@H](c2ccc(OC)cc2)C1 ZINC000262440593 549820189 /nfs/dbraw/zinc/82/01/89/549820189.db2.gz UNYLYZWKPSURAO-QFBILLFUSA-N 1 0 363.527 2.318 20 30 FEEDRO Cc1cc(C)c(CNC(NC[C@H]2CCS(=O)(=O)C2)=[NH+]C2CC2)c(C)c1 ZINC000262444472 549820518 /nfs/dbraw/zinc/82/05/18/549820518.db2.gz VCMAPSPJEUQGHU-MRXNPFEDSA-N 1 0 363.527 2.244 20 30 FEEDRO O=S1(=O)CC[C@@H](CNC(=[NH+]C2CC2)N2CC[C@H](c3ccccc3)C2)C1 ZINC000262448799 549820550 /nfs/dbraw/zinc/82/05/50/549820550.db2.gz VRIWLBWJXMTVPI-RDJZCZTQSA-N 1 0 361.511 2.019 20 30 FEEDRO O=S1(=O)CC[C@@H](CNC(=[NH+]C2CC2)N2CC[C@@H](c3ccccc3)C2)C1 ZINC000262448795 549820665 /nfs/dbraw/zinc/82/06/65/549820665.db2.gz VRIWLBWJXMTVPI-DOTOQJQBSA-N 1 0 361.511 2.019 20 30 FEEDRO C/[NH+]=C(/NCc1cn2ccsc2n1)NC[C@](C)(O)c1cc(C)oc1C ZINC000262482035 549823449 /nfs/dbraw/zinc/82/34/49/549823449.db2.gz YDGDJYPMKASCEO-KRWDZBQOSA-N 1 0 361.471 2.178 20 30 FEEDRO CC[NH+]=C(NC[C@H]1CCc2nnc(C)n2C1)N[C@@H]1CCc2ccccc2C1 ZINC000262511374 549825102 /nfs/dbraw/zinc/82/51/02/549825102.db2.gz OZQFGXNXJWIUCW-VQIMIIECSA-N 1 0 366.513 2.262 20 30 FEEDRO CC[NH+]=C(NC[C@@H]1CCOc2ccccc21)N1CCC(C(=O)OC)CC1 ZINC000262785804 549849781 /nfs/dbraw/zinc/84/97/81/549849781.db2.gz MLZMTFPYWAVCFS-INIZCTEOSA-N 1 0 359.470 2.403 20 30 FEEDRO CC[NH+]=C(NCc1cc(Cl)c2c(c1)OCCO2)NC[C@H]1CCOC1 ZINC000262812303 549852410 /nfs/dbraw/zinc/85/24/10/549852410.db2.gz OIHCTZDSGWAPKX-GFCCVEGCSA-N 1 0 353.850 2.203 20 30 FEEDRO C[NH+]=C(NC[C@H](O)c1cc(OC)ccc1OC)N1CCc2ccccc21 ZINC000263241374 549888715 /nfs/dbraw/zinc/88/87/15/549888715.db2.gz LJZXQWSRYVOPFS-SFHVURJKSA-N 1 0 355.438 2.375 20 30 FEEDRO C[C@@H](C#N)CN(C)C(=O)N[C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000263647845 549912494 /nfs/dbraw/zinc/91/24/94/549912494.db2.gz CDLSQNNRDYMTMV-LSDHHAIUSA-N 1 0 361.465 2.440 20 30 FEEDRO C=CCOc1c(Br)cc(C[NH2+][C@@H]2CC(=O)N(C)C2)cc1OC ZINC000263786832 549936814 /nfs/dbraw/zinc/93/68/14/549936814.db2.gz WTTVWDSSEXRGGH-GFCCVEGCSA-N 1 0 369.259 2.343 20 30 FEEDRO C[NH+]=C(NCc1ccco1)NCc1cccc(NC(=O)[C@H]2CCCO2)c1 ZINC000264102802 549979708 /nfs/dbraw/zinc/97/97/08/549979708.db2.gz ZEWLZAHIIJBCFF-QGZVFWFLSA-N 1 0 356.426 2.262 20 30 FEEDRO COC[C@@H](C)NC(=[NH2+])NC[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000264134222 549983367 /nfs/dbraw/zinc/98/33/67/549983367.db2.gz ZDHTXSVTVHMEEB-CHWSQXEVSA-N 1 0 369.307 2.215 20 30 FEEDRO [NH2+]=C(NCc1ccc(C(F)(F)F)cc1)N1CCN(c2ncccn2)CC1 ZINC000264141198 549984311 /nfs/dbraw/zinc/98/43/11/549984311.db2.gz WKMCHZXDZZLVHT-UHFFFAOYSA-N 1 0 364.375 2.132 20 30 FEEDRO [NH2+]=C(NC[C@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1)NC1CC1 ZINC000264302401 549993956 /nfs/dbraw/zinc/99/39/56/549993956.db2.gz SDJKFYBSAGCBJK-OAHLLOKOSA-N 1 0 356.392 2.145 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CCN(Cc3ccccc3)C2=O)CC1 ZINC000264364690 549994363 /nfs/dbraw/zinc/99/43/63/549994363.db2.gz HOUXVDZBIYSEHP-IBGZPJMESA-N 1 0 370.497 2.127 20 30 FEEDRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N1CCO[C@@H](C#N)C1 ZINC000264439342 549996063 /nfs/dbraw/zinc/99/60/63/549996063.db2.gz ZFQIPRRDPHDOPP-LPHOPBHVSA-N 1 0 356.470 2.495 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@H]2CCN(c3ccc(F)cc3)C2=O)CC1 ZINC000264517281 549997068 /nfs/dbraw/zinc/99/70/68/549997068.db2.gz VMERXKJGVFTGGN-GOSISDBHSA-N 1 0 359.445 2.335 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N(C)[C@H]2CCN(c3ccccc3Cl)C2=O)CC1 ZINC000264795843 550001717 /nfs/dbraw/zinc/00/17/17/550001717.db2.gz YHIRHQFLELIRKI-SFHVURJKSA-N 1 0 373.884 2.249 20 30 FEEDRO C[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000264914571 550003349 /nfs/dbraw/zinc/00/33/49/550003349.db2.gz GFMSGXVBYDDPPW-OAQYLSRUSA-N 1 0 368.481 2.031 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)c2cc(N3CCNC3=O)ccc2Cl)CC1 ZINC000266113222 550017316 /nfs/dbraw/zinc/01/73/16/550017316.db2.gz NCIWMRURLPMEOL-UHFFFAOYSA-N 1 0 362.861 2.250 20 30 FEEDRO C[C@H]([NH2+][C@@H]1CCCN(c2cnn(C)c2)C1=O)c1ccc(OCC#N)cc1 ZINC000266456238 550020480 /nfs/dbraw/zinc/02/04/80/550020480.db2.gz LAOUSOPCIGCCKD-KBXCAEBGSA-N 1 0 353.426 2.169 20 30 FEEDRO COc1ccc(CCNC(=[NH2+])NC[C@@H](CCO)CC(C)C)cc1OC ZINC000267386392 550030606 /nfs/dbraw/zinc/03/06/06/550030606.db2.gz BOTSLZMMSCLDOV-INIZCTEOSA-N 1 0 351.491 2.195 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1ccc(Cl)c(C(N)=O)c1 ZINC000267385836 550030666 /nfs/dbraw/zinc/03/06/66/550030666.db2.gz LMSHFIONPZTJJB-UHFFFAOYSA-N 1 0 351.838 2.138 20 30 FEEDRO COc1ccc(CCNC(=[NH2+])NC[C@@](C)(O)c2ccsc2)cc1OC ZINC000267417879 550031028 /nfs/dbraw/zinc/03/10/28/550031028.db2.gz JREZSMXROOKCCK-GOSISDBHSA-N 1 0 363.483 2.120 20 30 FEEDRO COc1ccc([C@@H](C)CCNC(=[NH2+])N2CCN(c3ncccn3)CC2)cc1 ZINC000267436159 550031594 /nfs/dbraw/zinc/03/15/94/550031594.db2.gz NVFKWXOMAQWLKD-INIZCTEOSA-N 1 0 368.485 2.116 20 30 FEEDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2S(=O)(=O)c2ccc(C#N)c(Cl)c2)C1 ZINC000269103176 550155000 /nfs/dbraw/zinc/15/50/00/550155000.db2.gz AKVBBIBNBCDSBW-XJKSGUPXSA-N 1 0 353.875 2.316 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@H](O)CCc1ccccc1 ZINC000493073158 561454391 /nfs/dbraw/zinc/45/43/91/561454391.db2.gz XAJLLIAWYYWPEY-OAQYLSRUSA-N 1 0 365.477 2.442 20 30 FEEDRO N#Cc1cccc(C2(NC(=O)NC3CC[NH+]([C@H]4CCC[C@H]4O)CC3)CC2)c1 ZINC000269730481 550220885 /nfs/dbraw/zinc/22/08/85/550220885.db2.gz UXSCRINBKHGRCC-RBUKOAKNSA-N 1 0 368.481 2.224 20 30 FEEDRO CCOc1ccc(N(CCC#N)C(=O)C[NH2+][C@@H]2CCC[C@]2(C)CO)cc1 ZINC000493650097 561457378 /nfs/dbraw/zinc/45/73/78/561457378.db2.gz AYXGGEDUJNBTGU-UYAOXDASSA-N 1 0 359.470 2.473 20 30 FEEDRO N#CCc1ccc(C(=O)N2CCN(CCCOCC(F)(F)F)CC2)cc1 ZINC000270316496 550261241 /nfs/dbraw/zinc/26/12/41/550261241.db2.gz WVRVIKKQCLPGSN-UHFFFAOYSA-N 1 0 369.387 2.479 20 30 FEEDRO C[C@@H](CO)CCCNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000270532393 550281168 /nfs/dbraw/zinc/28/11/68/550281168.db2.gz ONNYFIMNGBKCML-QGZVFWFLSA-N 1 0 358.486 2.184 20 30 FEEDRO CC(C)[NH+]1CCN(C2CCN(C(=O)c3ccc(CC#N)cc3)CC2)CC1 ZINC000270849878 550313918 /nfs/dbraw/zinc/31/39/18/550313918.db2.gz GNLGPDDONFHZLC-UHFFFAOYSA-N 1 0 354.498 2.383 20 30 FEEDRO C[N@@H+]1CCN(C(=O)CCC(=O)N(CCC#N)c2ccccc2)C(C)(C)C1 ZINC000270882247 550317244 /nfs/dbraw/zinc/31/72/44/550317244.db2.gz FOKZJQVKYRUQIR-UHFFFAOYSA-N 1 0 356.470 2.266 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@H](C(F)(F)F)[C@@H](CO)C2)CC1 ZINC000493836370 561458574 /nfs/dbraw/zinc/45/85/74/561458574.db2.gz POEDATSVLRZJLW-HIFRSBDPSA-N 1 0 363.424 2.229 20 30 FEEDRO C=C(C)CN(CC)C(=O)C[NH2+][C@H]1CC(=O)N(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000494245361 561465582 /nfs/dbraw/zinc/46/55/82/561465582.db2.gz QKPDRBCLUJVGGX-QFBILLFUSA-N 1 0 365.424 2.251 20 30 FEEDRO C[NH+](C)CCn1cc(NC(=O)c2ccc(C3(C#N)CC3)cc2)ccc1=O ZINC000271951126 550412928 /nfs/dbraw/zinc/41/29/28/550412928.db2.gz DMTWUOWONVNFDA-UHFFFAOYSA-N 1 0 350.422 2.217 20 30 FEEDRO C#CCC[NH+]1CCN(C[C@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000271997957 550415412 /nfs/dbraw/zinc/41/54/12/550415412.db2.gz GNXJFBSBLYWPCK-HNNXBMFYSA-N 1 0 357.281 2.374 20 30 FEEDRO [NH2+]=C(NC[C@H]1CC(=O)N(C2CC2)C1)Nc1ccccc1OC(F)(F)F ZINC000272375161 550442063 /nfs/dbraw/zinc/44/20/63/550442063.db2.gz HXSZVPVGNBJTOG-SNVBAGLBSA-N 1 0 356.348 2.323 20 30 FEEDRO C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000272442517 550448656 /nfs/dbraw/zinc/44/86/56/550448656.db2.gz ANPWOIZSOWSHIS-HNSVSWJLSA-N 1 0 370.453 2.047 20 30 FEEDRO CC1(C#N)CCN(C(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)CC1 ZINC000272660584 550463772 /nfs/dbraw/zinc/46/37/72/550463772.db2.gz MVTWHRNGRNYZII-UHFFFAOYSA-N 1 0 370.497 2.479 20 30 FEEDRO CN(CCC#N)C(=O)CC[N@@H+]1CCc2c(ncn2-c2ccc(F)cc2)C1 ZINC000272722834 550466712 /nfs/dbraw/zinc/46/67/12/550466712.db2.gz JJGMMUPIIOSBFN-UHFFFAOYSA-N 1 0 355.417 2.132 20 30 FEEDRO C=CCS(=O)(=O)CC[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000272823018 550472215 /nfs/dbraw/zinc/47/22/15/550472215.db2.gz GIBVENMQYLIXNY-UHFFFAOYSA-N 1 0 370.902 2.135 20 30 FEEDRO C=CCS(=O)(=O)CC[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000272878402 550474799 /nfs/dbraw/zinc/47/47/99/550474799.db2.gz QDHGKCDCWXVDBF-GDBMZVCRSA-N 1 0 352.456 2.496 20 30 FEEDRO C=CCOCCCc1nc(-c2ccc(N3CCC[N@@H+](C)CC3)nc2)no1 ZINC000273803494 550511736 /nfs/dbraw/zinc/51/17/36/550511736.db2.gz HXGQQJYGJKAITO-UHFFFAOYSA-N 1 0 357.458 2.409 20 30 FEEDRO COC(=O)[C@H](c1cccc(C#N)c1)N1C[C@H](SC)[C@@H]([NH+]2CCCC2)C1 ZINC000274138863 550524564 /nfs/dbraw/zinc/52/45/64/550524564.db2.gz WYKSTPROQVHJTC-BZSNNMDCSA-N 1 0 359.495 2.284 20 30 FEEDRO C#CCOc1ccccc1NC(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000274884581 550562376 /nfs/dbraw/zinc/56/23/76/550562376.db2.gz XUDJOGPOMPVQLK-ZWKOTPCHSA-N 1 0 357.454 2.198 20 30 FEEDRO C=C(C)[C@@H](NC(=O)NCC1(O)CC[NH+](C)CC1)c1ccc(F)c(F)c1 ZINC000275104266 550570532 /nfs/dbraw/zinc/57/05/32/550570532.db2.gz KKKCLOSXHHRYQN-MRXNPFEDSA-N 1 0 353.413 2.338 20 30 FEEDRO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@@H](Cc1nc(C)no1)c1ccccc1 ZINC000277152397 550637633 /nfs/dbraw/zinc/63/76/33/550637633.db2.gz JQVPEIOPFRDSJJ-PBHICJAKSA-N 1 0 355.442 2.260 20 30 FEEDRO Cc1noc(C[C@@H]([NH2+]CC(=O)N[C@@](C)(C#N)C(C)C)c2ccccc2)n1 ZINC000277315806 550655380 /nfs/dbraw/zinc/65/53/80/550655380.db2.gz UWKWBYSNSQIZQQ-APWZRJJASA-N 1 0 355.442 2.306 20 30 FEEDRO Cc1noc(C[C@@H]([NH2+]CC(=O)N[C@](C)(C#N)C(C)C)c2ccccc2)n1 ZINC000277315825 550655614 /nfs/dbraw/zinc/65/56/14/550655614.db2.gz UWKWBYSNSQIZQQ-VQIMIIECSA-N 1 0 355.442 2.306 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)NC[C@H]2CSCCN2Cc2ccccc2)CC1 ZINC000277402005 550666060 /nfs/dbraw/zinc/66/60/60/550666060.db2.gz FOVNMEJUCCKAER-FQEVSTJZSA-N 1 0 371.550 2.065 20 30 FEEDRO CC(C)[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C[C@H](O)COc1ccccc1 ZINC000277843147 550720542 /nfs/dbraw/zinc/72/05/42/550720542.db2.gz SDBLRDRTJWLZGT-PXNSSMCTSA-N 1 0 361.486 2.191 20 30 FEEDRO C#CC[NH+]1CCC(c2nc(-c3cccc(N4CCNC4=O)c3)no2)CC1 ZINC000277960716 550733178 /nfs/dbraw/zinc/73/31/78/550733178.db2.gz SNEQDGAPUMFXNB-UHFFFAOYSA-N 1 0 351.410 2.079 20 30 FEEDRO CN(C)[C@@]1(C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)CCSC1 ZINC000278719882 550814899 /nfs/dbraw/zinc/81/48/99/550814899.db2.gz STVWVCOAWKNNPU-LJQANCHMSA-N 1 0 370.526 2.386 20 30 FEEDRO C=C(C)[C@H]1OCC[C@H]1C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000278841302 550827987 /nfs/dbraw/zinc/82/79/87/550827987.db2.gz RMWNSCSNIZVEMA-XUVXKRRUSA-N 1 0 358.482 2.375 20 30 FEEDRO COC(=O)[C@H]1CCC[N@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000278990375 550843985 /nfs/dbraw/zinc/84/39/85/550843985.db2.gz BGJAYEKBCCVETF-INIZCTEOSA-N 1 0 353.426 2.244 20 30 FEEDRO COC[C@@H]([NH2+]CC(=O)N(CCC#N)c1ccc(C)c(C)c1)[C@H]1CCCO1 ZINC000278997073 550844815 /nfs/dbraw/zinc/84/48/15/550844815.db2.gz CFJSNVRCLGQYQN-RTBURBONSA-N 1 0 359.470 2.334 20 30 FEEDRO Cn1nc([C@@H]2CCCOC2)cc1NC(=O)N(CCC#N)CCC[NH+](C)C ZINC000279058615 550851660 /nfs/dbraw/zinc/85/16/60/550851660.db2.gz ALQQTWDGPPXCSA-OAHLLOKOSA-N 1 0 362.478 2.013 20 30 FEEDRO CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000279437558 550890137 /nfs/dbraw/zinc/89/01/37/550890137.db2.gz OSBADGUZPMYPRO-INIZCTEOSA-N 1 0 371.485 2.186 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)CCc1ccc(=O)[nH]c1 ZINC000279571874 550904469 /nfs/dbraw/zinc/90/44/69/550904469.db2.gz SXYFBFKOHXTFGH-UHFFFAOYSA-N 1 0 352.438 2.182 20 30 FEEDRO CC(=O)N1CCC[C@@H](C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000279765873 550926663 /nfs/dbraw/zinc/92/66/63/550926663.db2.gz JQZIDQWBOCJLGL-KRWDZBQOSA-N 1 0 351.454 2.307 20 30 FEEDRO CCc1cccc(CC)c1NC(=[NH2+])NC[C@H]1CCn2ncc(C(N)=O)c2C1 ZINC000280086949 550959517 /nfs/dbraw/zinc/95/95/17/550959517.db2.gz WEGCVTMISJALGW-ZDUSSCGKSA-N 1 0 368.485 2.096 20 30 FEEDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)C2CCN(c3oc(C)nc3C#N)CC2)C1 ZINC000280248874 550974425 /nfs/dbraw/zinc/97/44/25/550974425.db2.gz UERIECNGCFQMEL-INIZCTEOSA-N 1 0 373.501 2.261 20 30 FEEDRO C#CCNC(=O)c1ccc(N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)nc1 ZINC000280393364 550988758 /nfs/dbraw/zinc/98/87/58/550988758.db2.gz HTAQVGGXFILMTL-BGYRXZFFSA-N 1 0 360.461 2.013 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Cn1cnc2sccc2c1=O)C(C)C ZINC000496013080 561491782 /nfs/dbraw/zinc/49/17/82/561491782.db2.gz GUUDOHBITMZIGX-MRXNPFEDSA-N 1 0 374.510 2.273 20 30 FEEDRO COc1cc(C#N)ccc1OCC[N@H+](C)[C@H](CC(N)=O)c1ccccc1 ZINC000280648745 551017305 /nfs/dbraw/zinc/01/73/05/551017305.db2.gz YWUURIPONSKNSI-QGZVFWFLSA-N 1 0 353.422 2.494 20 30 FEEDRO COC(=O)C[C@@H]1CC[C@H]([NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)[C@@H]1C ZINC000280658948 551018424 /nfs/dbraw/zinc/01/84/24/551018424.db2.gz STEBVUZLLLQKRW-FCLVOEFKSA-N 1 0 369.465 2.227 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000280897297 551043586 /nfs/dbraw/zinc/04/35/86/551043586.db2.gz FUGVACIYOHUASO-OALUTQOASA-N 1 0 357.498 2.366 20 30 FEEDRO Cc1nc(C#N)c(N2CCC(C(=O)N(C)[C@@H](C)C3CC[NH+](C)CC3)CC2)o1 ZINC000281067216 551059995 /nfs/dbraw/zinc/05/99/95/551059995.db2.gz DAKJAIXMUMPRTR-AWEZNQCLSA-N 1 0 373.501 2.260 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000281162834 551069628 /nfs/dbraw/zinc/06/96/28/551069628.db2.gz ZVFNKKJGEJZBOC-IHPCNDPISA-N 1 0 373.497 2.034 20 30 FEEDRO C=CCN1CC[C@H]([N@@H+](C)C[C@H](O)CO[C@@H](C)c2ccc(Cl)cc2)C1=O ZINC000281197541 551073068 /nfs/dbraw/zinc/07/30/68/551073068.db2.gz CDIQMEVWKUJMNT-WBAXXEDZSA-N 1 0 366.889 2.497 20 30 FEEDRO CCOC(=O)[C@@]1(COC)CCC[N@H+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000281362308 551088375 /nfs/dbraw/zinc/08/83/75/551088375.db2.gz LHIBUSAEJTVMDZ-FQEVSTJZSA-N 1 0 373.453 2.179 20 30 FEEDRO C[N@H+](CCOCCO)CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000282316949 551211013 /nfs/dbraw/zinc/21/10/13/551211013.db2.gz HJUGOORGKGZCGM-UHFFFAOYSA-N 1 0 365.499 2.158 20 30 FEEDRO C[N@@H+]1CC[C@H]2CCN(S(=O)(=O)c3ccc(C(F)(F)F)c(C#N)c3)[C@@H]2C1 ZINC000282349330 551215200 /nfs/dbraw/zinc/21/52/00/551215200.db2.gz PEULDMKIRVZPTR-XHDPSFHLSA-N 1 0 373.400 2.292 20 30 FEEDRO C[C@@H](C#N)CN(C)S(=O)(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000282556954 551246109 /nfs/dbraw/zinc/24/61/09/551246109.db2.gz FFYZMHPSCXTRFC-GJZGRUSLSA-N 1 0 352.504 2.042 20 30 FEEDRO C=C(C)COc1cc(C[NH2+]CC2(OCCO)CCOCC2)ccc1OC ZINC000282636308 551254501 /nfs/dbraw/zinc/25/45/01/551254501.db2.gz KBYXRDYHOQVBBR-UHFFFAOYSA-N 1 0 365.470 2.298 20 30 FEEDRO C[C@@H](NC(=O)C(=O)NC[C@H](c1ccccc1)[NH+](C)C)c1ccc(C#N)cc1 ZINC000283136235 551317277 /nfs/dbraw/zinc/31/72/77/551317277.db2.gz BJZDDWCFCZCLMT-DNVCBOLYSA-N 1 0 364.449 2.155 20 30 FEEDRO C#Cc1cc(F)c(NC(=O)C(=O)NCC[C@H](C)[NH+]2CCCCC2)c(F)c1 ZINC000283318625 551347121 /nfs/dbraw/zinc/34/71/21/551347121.db2.gz QCRVNPPDFWSLSD-ZDUSSCGKSA-N 1 0 363.408 2.265 20 30 FEEDRO C=C(C)Cn1c(-c2cnn(C)c2)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC000283510271 551378933 /nfs/dbraw/zinc/37/89/33/551378933.db2.gz FGKFSPUVNVRGRO-MRXNPFEDSA-N 1 0 357.506 2.423 20 30 FEEDRO C[C@H](NC(=O)C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccc(C#N)cc1 ZINC000283531159 551382814 /nfs/dbraw/zinc/38/28/14/551382814.db2.gz DDYDHGXIUCZUCP-ZACQAIPSSA-N 1 0 370.497 2.220 20 30 FEEDRO C[C@@H]1C[NH+](CCC2CCN(C(=O)c3cc(C#N)ccn3)CC2)C[C@@H](C)O1 ZINC000283761561 551423415 /nfs/dbraw/zinc/42/34/15/551423415.db2.gz QCKGFJAINSSUCS-HZPDHXFCSA-N 1 0 356.470 2.305 20 30 FEEDRO C=CCOc1ccc(C[NH2+]CCn2cc(C(=O)OC)nn2)cc1Cl ZINC000283876612 551442397 /nfs/dbraw/zinc/44/23/97/551442397.db2.gz GYZHAWZNNHKEMA-UHFFFAOYSA-N 1 0 350.806 2.073 20 30 FEEDRO C[C@@H](NC(=O)C(=O)N1CCC[N@@H+](C2CCCC2)CC1)c1ccc(C#N)cc1 ZINC000283905919 551447285 /nfs/dbraw/zinc/44/72/85/551447285.db2.gz IGMVGIXISROSGC-MRXNPFEDSA-N 1 0 368.481 2.212 20 30 FEEDRO C[N@@H+]1CCCC[C@@H]1CCC(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 ZINC000498017868 561513977 /nfs/dbraw/zinc/51/39/77/561513977.db2.gz JMISGONPVKWFDR-UXHICEINSA-N 1 0 354.498 2.487 20 30 FEEDRO C[C@H](NC(=O)C(=O)N1CCC(CCC[NH+](C)C)CC1)c1ccc(C#N)cc1 ZINC000284059515 551476666 /nfs/dbraw/zinc/47/66/66/551476666.db2.gz QORUCEFBMLPGLP-INIZCTEOSA-N 1 0 370.497 2.316 20 30 FEEDRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)C(=O)NCc2cccc(C#N)c2)C1 ZINC000284164359 551495995 /nfs/dbraw/zinc/49/59/95/551495995.db2.gz YHMFKTRSRCJIPU-IRXDYDNUSA-N 1 0 370.497 2.049 20 30 FEEDRO C[C@H](NC(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)c1ccc(C#N)cc1 ZINC000284169664 551497117 /nfs/dbraw/zinc/49/71/17/551497117.db2.gz YRWPSRGKEKFLLB-LPHOPBHVSA-N 1 0 368.481 2.212 20 30 FEEDRO C[C@H]([NH2+][C@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1)C(=O)N(C)CCC#N ZINC000284288640 551515942 /nfs/dbraw/zinc/51/59/42/551515942.db2.gz NTUSEFOYVFMSCK-AFAVFJNCSA-N 1 0 350.413 2.060 20 30 FEEDRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)COc2ccccc2C#N)cc1 ZINC000284461735 551554050 /nfs/dbraw/zinc/55/40/50/551554050.db2.gz TYMHSFLBUAEZHC-GOSISDBHSA-N 1 0 353.422 2.365 20 30 FEEDRO CCCc1cc[n+](C(C(=O)c2cnn(C)n2)C(=S)N[C@@H](C)CC)cc1 ZINC000284486950 551560233 /nfs/dbraw/zinc/56/02/33/551560233.db2.gz SEMSMLPVEIREHT-ZDUSSCGKSA-O 1 0 360.507 2.382 20 30 FEEDRO CNC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000498368748 561523581 /nfs/dbraw/zinc/52/35/81/561523581.db2.gz CGSHSJLQLFZXFN-ROUUACIJSA-N 1 0 351.454 2.468 20 30 FEEDRO Cn1cc([C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C(=O)N2CC(C)(C#N)C2)cn1 ZINC000285206848 551720529 /nfs/dbraw/zinc/72/05/29/551720529.db2.gz JCGZRFQPQPUDLZ-MOPGFXCFSA-N 1 0 363.465 2.008 20 30 FEEDRO CN(CCC[N@H+](C)Cc1ccco1)S(=O)(=O)c1ccc(F)cc1C#N ZINC000285484940 551763767 /nfs/dbraw/zinc/76/37/67/551763767.db2.gz OZFHXVZNGRWPIA-UHFFFAOYSA-N 1 0 365.430 2.433 20 30 FEEDRO CC(C)(C(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1)c1cc(F)cc(C#N)c1 ZINC000285551667 551773873 /nfs/dbraw/zinc/77/38/73/551773873.db2.gz GQRQMLHELZQQGZ-HNNXBMFYSA-N 1 0 359.445 2.156 20 30 FEEDRO CN(C(=O)C1CCN(c2ccc(C#N)cc2F)CC1)[C@H]1CCC[N@H+](C)C1 ZINC000285570019 551776189 /nfs/dbraw/zinc/77/61/89/551776189.db2.gz HPXVVSCBMOQKMI-KRWDZBQOSA-N 1 0 358.461 2.466 20 30 FEEDRO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(C)(C)c2cc(F)cc(C#N)c2)CC1 ZINC000285751163 551805082 /nfs/dbraw/zinc/80/50/82/551805082.db2.gz YVWUWVWYURYWKT-INIZCTEOSA-N 1 0 374.504 2.365 20 30 FEEDRO N#Cc1cc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)ccc1F ZINC000285875884 551822226 /nfs/dbraw/zinc/82/22/26/551822226.db2.gz WFOPZXWGQNGXSQ-QUCCMNQESA-N 1 0 367.424 2.310 20 30 FEEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000286288981 551870176 /nfs/dbraw/zinc/87/01/76/551870176.db2.gz HMLHIHIYYXHYDA-UHFFFAOYSA-N 1 0 368.481 2.063 20 30 FEEDRO N#CCCN(C(=O)CN1CC[C@H](C(F)(F)F)[C@H](CO)C1)c1ccccc1 ZINC000286403395 551883649 /nfs/dbraw/zinc/88/36/49/551883649.db2.gz HOESWLRHERQJFQ-HOCLYGCPSA-N 1 0 369.387 2.426 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(C)Cc2ccccc2Cl)CC1 ZINC000286510580 551894598 /nfs/dbraw/zinc/89/45/98/551894598.db2.gz KWMKHCPELQTXHQ-UHFFFAOYSA-N 1 0 363.889 2.455 20 30 FEEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N[C@H](C)CC[NH+](C)C ZINC000286521011 551895397 /nfs/dbraw/zinc/89/53/97/551895397.db2.gz PBTLZYXNQQUTOR-GFCCVEGCSA-N 1 0 357.907 2.373 20 30 FEEDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000286687692 551914785 /nfs/dbraw/zinc/91/47/85/551914785.db2.gz LPGQPLNZJXANJM-XHDPSFHLSA-N 1 0 355.410 2.084 20 30 FEEDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000286743365 551921049 /nfs/dbraw/zinc/92/10/49/551921049.db2.gz OOAKFMAROVDLDM-DOMZBBRYSA-N 1 0 353.875 2.459 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[C@H](c3ccc(F)cc3)C2)CC1 ZINC000286825120 551929933 /nfs/dbraw/zinc/92/99/33/551929933.db2.gz WUEDJMWENFBKLU-QFBILLFUSA-N 1 0 373.472 2.345 20 30 FEEDRO C#CC[C@@H](Cc1ccccc1)NC(=O)NC[C@@H](C)C[NH+]1CCN(CC)CC1 ZINC000286887855 551936802 /nfs/dbraw/zinc/93/68/02/551936802.db2.gz DSBZEXFLQYWEHH-CTNGQTDRSA-N 1 0 370.541 2.194 20 30 FEEDRO C=CCOc1ccc(CNC(=O)NC[C@H](C)C[NH+]2CCN(CC)CC2)cc1 ZINC000287217905 551977518 /nfs/dbraw/zinc/97/75/18/551977518.db2.gz VUNMAHLWUWMXTK-SFHVURJKSA-N 1 0 374.529 2.324 20 30 FEEDRO C=CCOc1ccccc1CNC(=O)C(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC000287492480 552011258 /nfs/dbraw/zinc/01/12/58/552011258.db2.gz VJSPRJOFKLUCGN-MRXNPFEDSA-N 1 0 373.497 2.056 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1ccc(C(N)=O)c(Cl)n1)C(C)C ZINC000287584309 552021866 /nfs/dbraw/zinc/02/18/66/552021866.db2.gz NSXGGWBIUHYYBB-HNNXBMFYSA-N 1 0 364.877 2.262 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N2C[C@H](c3ccccc3)[C@@H]3COCC[C@H]32)CC1 ZINC000287700482 552035941 /nfs/dbraw/zinc/03/59/41/552035941.db2.gz DZGQXKGOBBCEPO-QHAWAJNXSA-N 1 0 352.478 2.363 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2nc(-c3ccco3)cs2)CC1 ZINC000287747957 552041834 /nfs/dbraw/zinc/04/18/34/552041834.db2.gz SWTHMOBLSKSYQJ-UHFFFAOYSA-N 1 0 360.439 2.108 20 30 FEEDRO C[NH+]1CCC(C)(CNC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)CC1 ZINC000287847167 552054092 /nfs/dbraw/zinc/05/40/92/552054092.db2.gz MDCSAKJWFSCWCZ-MRXNPFEDSA-N 1 0 358.461 2.372 20 30 FEEDRO CCN1CCN(C(=O)C(=O)Nc2ccccc2SCCC#N)[C@@H](C)C1 ZINC000287982908 552070708 /nfs/dbraw/zinc/07/07/08/552070708.db2.gz VUHAUKQLCDDSKZ-AWEZNQCLSA-N 1 0 360.483 2.183 20 30 FEEDRO CCCN(CC[NH+]1CCCCC1)C(=O)C(=O)Nc1ccc(F)cc1C#N ZINC000288086102 552088512 /nfs/dbraw/zinc/08/85/12/552088512.db2.gz LHJVVWONBPNVAJ-UHFFFAOYSA-N 1 0 360.433 2.360 20 30 FEEDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1ccc(-n2ncc(C#N)c2N)cc1 ZINC000499723326 561557004 /nfs/dbraw/zinc/55/70/04/561557004.db2.gz OTTSSAFUNSOJHW-QGZVFWFLSA-N 1 0 366.469 2.320 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCCc3sccc32)CC1 ZINC000288572133 552177480 /nfs/dbraw/zinc/17/74/80/552177480.db2.gz UOCDKDRTXNCEJG-MRXNPFEDSA-N 1 0 361.511 2.398 20 30 FEEDRO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000289432416 552320930 /nfs/dbraw/zinc/32/09/30/552320930.db2.gz SBWRCBNCMDQVQJ-XVGQJIODSA-N 1 0 364.440 2.308 20 30 FEEDRO C=CCN(C)C(=O)C(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000289532835 552336484 /nfs/dbraw/zinc/33/64/84/552336484.db2.gz DXGKHCLHNVHLMY-CZUORRHYSA-N 1 0 367.852 2.233 20 30 FEEDRO N#Cc1cncc(S(=O)(=O)N2CCC(CCC[NH+]3CCCC3)CC2)c1 ZINC000289535708 552336772 /nfs/dbraw/zinc/33/67/72/552336772.db2.gz SLZFAXOCVYNGDZ-UHFFFAOYSA-N 1 0 362.499 2.230 20 30 FEEDRO C[NH+](C)CCCN(Cc1ccccc1)S(=O)(=O)c1cncc(C#N)c1 ZINC000289650863 552356088 /nfs/dbraw/zinc/35/60/88/552356088.db2.gz GDCCCBBPMODDAB-UHFFFAOYSA-N 1 0 358.467 2.096 20 30 FEEDRO CN(C)CC[N@H+](C)CCCN(C)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000289847206 552388415 /nfs/dbraw/zinc/38/84/15/552388415.db2.gz UOCOXUFEVKOURZ-UHFFFAOYSA-N 1 0 362.522 2.462 20 30 FEEDRO C[C@@H](CNS(=O)(=O)Cc1cc(C#N)ccc1F)[N@@H+]1CCCC[C@H]1C ZINC000500806197 561583101 /nfs/dbraw/zinc/58/31/01/561583101.db2.gz FNFWWENIXIFLTH-KGLIPLIRSA-N 1 0 353.463 2.380 20 30 FEEDRO C=CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[NH+](CC)CC1 ZINC000290051966 552420356 /nfs/dbraw/zinc/42/03/56/552420356.db2.gz BBTZKNVJUWGZJL-KRWDZBQOSA-N 1 0 355.442 2.119 20 30 FEEDRO C=CCOc1ccc(C(=O)N(C)CCC[N@H+](C)CCN(C)C)cc1OC ZINC000290078878 552424059 /nfs/dbraw/zinc/42/40/59/552424059.db2.gz JTQILXWUUVVECZ-UHFFFAOYSA-N 1 0 363.502 2.216 20 30 FEEDRO C[C@@H](NC(=O)C(=O)Nc1ccc(C#N)c(F)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000290859188 552551178 /nfs/dbraw/zinc/55/11/78/552551178.db2.gz RRXONABOZKOOQJ-UKRRQHHQSA-N 1 0 372.444 2.405 20 30 FEEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000291123637 552589933 /nfs/dbraw/zinc/58/99/33/552589933.db2.gz VIFRNZRSDIWATE-UHFFFAOYSA-N 1 0 366.421 2.329 20 30 FEEDRO C#Cc1ccccc1CC(=O)N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000291316635 552613872 /nfs/dbraw/zinc/61/38/72/552613872.db2.gz PDNFABJLQLNTMO-UHFFFAOYSA-N 1 0 353.510 2.227 20 30 FEEDRO COc1cc(C#N)ccc1OCCCC(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292117290 552695498 /nfs/dbraw/zinc/69/54/98/552695498.db2.gz GHGYSSPWLDCGDY-FQEVSTJZSA-N 1 0 357.454 2.280 20 30 FEEDRO CN(C(=O)CC[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1)c1ccccc1 ZINC000292123724 552696072 /nfs/dbraw/zinc/69/60/72/552696072.db2.gz IEVJFLKDXXMCCT-GOSISDBHSA-N 1 0 350.422 2.459 20 30 FEEDRO CN(Cc1ccccc1F)C(=O)CN1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292198306 552703568 /nfs/dbraw/zinc/70/35/68/552703568.db2.gz NOVWPZPKSHSHKX-QGZVFWFLSA-N 1 0 368.412 2.204 20 30 FEEDRO C[C@H](C(=O)Nc1cccc(C#N)c1)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292312379 552714793 /nfs/dbraw/zinc/71/47/93/552714793.db2.gz VKWYBDKDNZUKFM-RDTXWAMCSA-N 1 0 361.405 2.305 20 30 FEEDRO C=C(C)Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000292940253 552773098 /nfs/dbraw/zinc/77/30/98/552773098.db2.gz KZSXLQWLUQKDSQ-QGZVFWFLSA-N 1 0 370.501 2.398 20 30 FEEDRO CC[NH+](CC)[C@@H](CNC(=O)C(=O)Nc1sccc1C#N)c1ccco1 ZINC000293016938 552780779 /nfs/dbraw/zinc/78/07/79/552780779.db2.gz HOIJJQBJSVXJJD-ZDUSSCGKSA-N 1 0 360.439 2.351 20 30 FEEDRO C[C@H](NC(=O)C(=O)Nc1sccc1C#N)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000293903302 552866586 /nfs/dbraw/zinc/86/65/86/552866586.db2.gz WNMCOCTVIUJLLN-JSGCOSHPSA-N 1 0 360.483 2.327 20 30 FEEDRO C=CCN(CC=C)C(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000501728329 561604090 /nfs/dbraw/zinc/60/40/90/561604090.db2.gz GHAJAFVZUONMTH-HKUYNNGSSA-N 1 0 355.482 2.214 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)c1cccc(C)c1I ZINC000294036427 552877015 /nfs/dbraw/zinc/87/70/15/552877015.db2.gz RZBZHGKDGFGWEV-UHFFFAOYSA-N 1 0 370.234 2.285 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1cnc(C(F)(F)F)c(C#N)c1 ZINC000294135713 552884885 /nfs/dbraw/zinc/88/48/85/552884885.db2.gz OABDCRRVCAILKI-UHFFFAOYSA-N 1 0 353.348 2.280 20 30 FEEDRO C#CCNC(=O)CC[N@H+](CCc1ccccn1)Cc1ccc(OC)cc1 ZINC000294154261 552885955 /nfs/dbraw/zinc/88/59/55/552885955.db2.gz PAYLNGIQSZTQLR-UHFFFAOYSA-N 1 0 351.450 2.274 20 30 FEEDRO CN(CCOCCC#N)Cc1cn(-c2cccc(Br)c2)nn1 ZINC000294269539 552892823 /nfs/dbraw/zinc/89/28/23/552892823.db2.gz VLSYYRGIDDDWEW-UHFFFAOYSA-N 1 0 364.247 2.392 20 30 FEEDRO CN(C)c1cc(C#N)cc(C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)c1 ZINC000294302666 552895324 /nfs/dbraw/zinc/89/53/24/552895324.db2.gz QYIKEZRQAXOESF-PMACEKPBSA-N 1 0 370.497 2.122 20 30 FEEDRO N#Cc1cnc(NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC000295105942 552959447 /nfs/dbraw/zinc/95/94/47/552959447.db2.gz USJUCGHDMLZWTJ-MRXNPFEDSA-N 1 0 353.382 2.040 20 30 FEEDRO C[C@@H](c1ccncc1)N1CCC(NS(=O)(=O)CC(C)(C)CC#N)CC1 ZINC000295160341 552964828 /nfs/dbraw/zinc/96/48/28/552964828.db2.gz NATYPARHPZOZAS-HNNXBMFYSA-N 1 0 364.515 2.466 20 30 FEEDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)Cc2ccc(F)cc2C#N)[C@@H](C)C1 ZINC000295270244 552979218 /nfs/dbraw/zinc/97/92/18/552979218.db2.gz RZDFEJDKHXJOCD-GUYCJALGSA-N 1 0 353.463 2.189 20 30 FEEDRO C[NH+](C)C(C)(C)CNC(=O)C(=O)Nc1sc(C(C)(C)C)cc1C#N ZINC000296114590 553107147 /nfs/dbraw/zinc/10/71/47/553107147.db2.gz VCLFWEWUVVLYKS-UHFFFAOYSA-N 1 0 350.488 2.312 20 30 FEEDRO COc1cc(C#N)ccc1OCCCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000296861985 553221990 /nfs/dbraw/zinc/22/19/90/553221990.db2.gz FJRVEVMUSXXEIH-ALOPSCKCSA-N 1 0 357.454 2.467 20 30 FEEDRO N#Cc1ccc(OCC(=O)N2CC[C@H](c3ccc(F)cc3)[C@@H]([NH3+])C2)cc1 ZINC000297277270 553272418 /nfs/dbraw/zinc/27/24/18/553272418.db2.gz SZFPYNCEWBBVIF-MOPGFXCFSA-N 1 0 353.397 2.420 20 30 FEEDRO CN(CCC#N)C(=O)CC[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000297359097 553282889 /nfs/dbraw/zinc/28/28/89/553282889.db2.gz FSADISMCSDTXKK-UHFFFAOYSA-N 1 0 351.454 2.119 20 30 FEEDRO C=CCCCN(C)C(=O)C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000297642509 553319454 /nfs/dbraw/zinc/31/94/54/553319454.db2.gz IPBYIPRKNAPVFF-LJQANCHMSA-N 1 0 357.498 2.392 20 30 FEEDRO C=CCCCN(C)C(=O)C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000297842819 553345840 /nfs/dbraw/zinc/34/58/40/553345840.db2.gz NXCSYAOFXVXSCI-UHFFFAOYSA-N 1 0 368.481 2.017 20 30 FEEDRO N#Cc1ccsc1N1CC[C@@H]([NH2+][C@@H](CC(N)=O)C2CCCCC2)C1=O ZINC000298720385 553463926 /nfs/dbraw/zinc/46/39/26/553463926.db2.gz BCUDJHHGEKGONW-CABCVRRESA-N 1 0 360.483 2.139 20 30 FEEDRO C#CCNC(=O)c1ccc(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)nc1 ZINC000298746379 553467636 /nfs/dbraw/zinc/46/76/36/553467636.db2.gz QFHRCULDDRNIMA-UHFFFAOYSA-N 1 0 373.460 2.029 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N[C@H](c2nccn2C)c2ccc(F)cc2)CC1 ZINC000299003537 553502213 /nfs/dbraw/zinc/50/22/13/553502213.db2.gz ACHFMYSPGZCTGE-SFHVURJKSA-N 1 0 354.429 2.110 20 30 FEEDRO C=CCCc1ccccc1NC(=O)C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000504005413 561651786 /nfs/dbraw/zinc/65/17/86/561651786.db2.gz LQHGVGHBIVBMNQ-GOSISDBHSA-N 1 0 373.497 2.313 20 30 FEEDRO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)CSCC#N)CC1 ZINC000299562320 553581589 /nfs/dbraw/zinc/58/15/89/553581589.db2.gz VSYWXZYPDYORIV-CQSZACIVSA-N 1 0 364.490 2.402 20 30 FEEDRO Cc1cc(=NC(=O)N2CC3(CCCC3)OC[C@@H]2C[NH+](C)C)[nH]n1CCC#N ZINC000602921041 553669917 /nfs/dbraw/zinc/66/99/17/553669917.db2.gz AJUSYYIAAYQAFQ-INIZCTEOSA-N 1 0 374.489 2.212 20 30 FEEDRO C[N@H+](C[C@@H](O)COc1ccc(C#N)cc1)C[C@H]1COc2ccccc2O1 ZINC000302875104 553739000 /nfs/dbraw/zinc/73/90/00/553739000.db2.gz HYZYVBUTRBSNPP-AEFFLSMTSA-N 1 0 354.406 2.070 20 30 FEEDRO C[NH+](C)C1CCN(CCNc2cc(C#N)c(Br)cn2)CC1 ZINC000603313743 553762539 /nfs/dbraw/zinc/76/25/39/553762539.db2.gz XUPVJSVNMYRVGQ-UHFFFAOYSA-N 1 0 352.280 2.154 20 30 FEEDRO CC[NH+](CC)[C@@H](CNS(=O)(=O)c1cccnc1C#N)c1ccccc1 ZINC000328020495 553793055 /nfs/dbraw/zinc/79/30/55/553793055.db2.gz TXUMLMFYBLXHJL-KRWDZBQOSA-N 1 0 358.467 2.315 20 30 FEEDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)N[C@@H]1CCCN(C2CCCCC2)C1=O ZINC000328603390 553795382 /nfs/dbraw/zinc/79/53/82/553795382.db2.gz HRRQEIBUDJYUQA-KZNAEPCWSA-N 1 0 362.518 2.441 20 30 FEEDRO CCC1(CNC(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)CCOCC1 ZINC000328634430 553800189 /nfs/dbraw/zinc/80/01/89/553800189.db2.gz BLCAKVJYXQTARQ-KRWDZBQOSA-N 1 0 353.507 2.151 20 30 FEEDRO C[C@H](CNC(=O)N[C@@H]1CCN(Cc2ccccc2)C1=O)[N@@H+]1CCC[C@@H](C)C1 ZINC000328680035 553806283 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FEEDRO O=C(NC1CCCCC1)NC1CC[NH+](CC2CCS(=O)(=O)CC2)CC1 ZINC000328797848 553823344 /nfs/dbraw/zinc/82/33/44/553823344.db2.gz FOKVWTLXWPBESV-UHFFFAOYSA-N 1 0 371.547 2.112 20 30 FEEDRO O=C(C[N@@H+]1CC[C@H](C2CCOCC2)C1)Nc1cc(-n2cnnn2)ccc1F ZINC000328801338 553824699 /nfs/dbraw/zinc/82/46/99/553824699.db2.gz ZDFPJJWKKPTCFH-AWEZNQCLSA-N 1 0 374.420 2.138 20 30 FEEDRO CN1CCO[C@H]2CCN(C(=O)Nc3nc4c(s3)CCCCC4)C[C@H]21 ZINC000328827526 553828919 /nfs/dbraw/zinc/82/89/19/553828919.db2.gz ILYNGEDTDVEDMY-KGLIPLIRSA-N 1 0 350.488 2.362 20 30 FEEDRO C[NH+]1CCN(c2ccc(NC(=O)CNC(=O)NC3CCCCC3)cn2)CC1 ZINC000328858412 553833891 /nfs/dbraw/zinc/83/38/91/553833891.db2.gz YELPPBXXHWSKDG-UHFFFAOYSA-N 1 0 374.489 2.258 20 30 FEEDRO O=C(C[C@@H]1CCCS(=O)(=O)C1)NCC1([NH+]2CCCCC2)CCOCC1 ZINC000328890940 553839816 /nfs/dbraw/zinc/83/98/16/553839816.db2.gz SCQZJAMRIMIXPN-INIZCTEOSA-N 1 0 372.531 2.193 20 30 FEEDRO Cn1nccc1[C@@H]1[C@H](C(=O)NC2CCC(C[NH+](C)C)CC2)CC(=O)N1C ZINC000328895464 553840278 /nfs/dbraw/zinc/84/02/78/553840278.db2.gz BJSSOLWXIQSSRI-HNFMNYKYSA-N 1 0 361.490 2.016 20 30 FEEDRO CN1CCO[C@@H]2CC[N@H+](CCC(=O)Nc3sc4c(c3C#N)CCC4)C[C@@H]21 ZINC000328927430 553845998 /nfs/dbraw/zinc/84/59/98/553845998.db2.gz XCRUMAZJIIRKTA-JKSUJKDBSA-N 1 0 374.510 2.491 20 30 FEEDRO C[NH+](C)C1(CNC(=O)N2CCOC[C@@H]2[C@@H]2CCC[C@H]2O)CCCCCC1 ZINC000328977525 553857541 /nfs/dbraw/zinc/85/75/41/553857541.db2.gz QKRAGXSZTZPKBC-RCCFBDPRSA-N 1 0 367.534 2.417 20 30 FEEDRO C[C@@H](C(=O)NC1CCCC1)N1CC[NH+](CCC(=O)N2CCCCC2)CC1 ZINC000328984424 553858452 /nfs/dbraw/zinc/85/84/52/553858452.db2.gz GDOHMNBBMVRYET-KRWDZBQOSA-N 1 0 364.534 2.294 20 30 FEEDRO CC(=O)N1CCN(C(=O)NC2CC[NH+](CC3CCCC3)CC2)[C@@H](C)C1 ZINC000329024696 553867066 /nfs/dbraw/zinc/86/70/66/553867066.db2.gz NLCFBBKVDMQLFD-HNNXBMFYSA-N 1 0 350.507 2.108 20 30 FEEDRO CN(C(=O)C1CCN(c2ccc(C#N)cc2F)CC1)[C@@H]1C[NH+]2CCC1CC2 ZINC000329072850 553875667 /nfs/dbraw/zinc/87/56/67/553875667.db2.gz OMTGAMPPZXGLOO-HXUWFJFHSA-N 1 0 370.472 2.466 20 30 FEEDRO CCC[NH+]1CCC(NC(=O)N[C@H](c2nc(C)no2)C2CCOCC2)CC1 ZINC000329096275 553879380 /nfs/dbraw/zinc/87/93/80/553879380.db2.gz YBNDEVOTZJLFNF-INIZCTEOSA-N 1 0 365.478 2.224 20 30 FEEDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C(C)C ZINC000329100776 553880689 /nfs/dbraw/zinc/88/06/89/553880689.db2.gz ZMDAPGXHCZXYJN-ZACQAIPSSA-N 1 0 365.522 2.102 20 30 FEEDRO O=C(C[NH+]1CCC2(C[C@H]2C(=O)N2CCCCC2)CC1)NC1CCOCC1 ZINC000329104235 553880940 /nfs/dbraw/zinc/88/09/40/553880940.db2.gz GMYKBQRWNLSHEC-KRWDZBQOSA-N 1 0 363.502 2.237 20 30 FEEDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000329171207 553894308 /nfs/dbraw/zinc/89/43/08/553894308.db2.gz JYHYJJPTGOHTCZ-DMRKSPOLSA-N 1 0 363.502 2.485 20 30 FEEDRO C[C@@H](C(=O)NCc1ccccc1Cl)N1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000329182216 553897307 /nfs/dbraw/zinc/89/73/07/553897307.db2.gz OLPQWHLJZFHKEX-CORIIIEPSA-N 1 0 356.875 2.304 20 30 FEEDRO O=C(N[C@H]1CC(=O)N(C2CCCCC2)C1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000329194226 553899925 /nfs/dbraw/zinc/89/99/25/553899925.db2.gz UOPKERKASGFWFU-WMZOPIPTSA-N 1 0 362.518 2.394 20 30 FEEDRO CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@H]2CC(=O)N(C3CCCCC3)C2)C1 ZINC000329196014 553900091 /nfs/dbraw/zinc/90/00/91/553900091.db2.gz VQDWZRKWUUHWEG-DOTOQJQBSA-N 1 0 350.507 2.250 20 30 FEEDRO CC[NH+]1CCN([C@H](C)CNC(=O)[C@@H]2CCCN2C(=O)C2CCCC2)CC1 ZINC000329208468 553902552 /nfs/dbraw/zinc/90/25/52/553902552.db2.gz BQVPXJRBGCQEBY-AEFFLSMTSA-N 1 0 364.534 2.150 20 30 FEEDRO C[C@@H]1CCC[C@](CNC(=O)N2CCOC[C@@H]2[C@@H]2CCCO2)([NH+](C)C)C1 ZINC000329243061 553909421 /nfs/dbraw/zinc/90/94/21/553909421.db2.gz SQOZQLUDACHHGZ-VXNCWWDNSA-N 1 0 353.507 2.291 20 30 FEEDRO CCn1ccnc1[C@H]1OCC[C@@H]1NC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000329243855 553909999 /nfs/dbraw/zinc/90/99/99/553909999.db2.gz TYRDYQMZQOPTMT-IKGGRYGDSA-N 1 0 361.490 2.207 20 30 FEEDRO CO[C@@H]1CCC[C@@H]1CNC(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000329261309 553912896 /nfs/dbraw/zinc/91/28/96/553912896.db2.gz DVEOJFYHAXIBRR-VDHUWJSZSA-N 1 0 353.507 2.073 20 30 FEEDRO C[C@H](NC(=O)N1CCO[C@H](C(N)=O)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000329271779 553914958 /nfs/dbraw/zinc/91/49/58/553914958.db2.gz IFVURCNVKLXFSY-XIRDDKMYSA-N 1 0 360.458 2.047 20 30 FEEDRO CC(=O)Nc1ncc(S(=O)(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)s1 ZINC000329279006 553916611 /nfs/dbraw/zinc/91/66/11/553916611.db2.gz MHWBQEQSYBOPPP-LLVKDONJSA-N 1 0 358.489 2.046 20 30 FEEDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)N[C@@H]1CCOC2(CCC2)C1 ZINC000329288326 553918217 /nfs/dbraw/zinc/91/82/17/553918217.db2.gz PMXVCRPGFSYIKH-KURKYZTESA-N 1 0 365.518 2.360 20 30 FEEDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)N[C@H]1CCOC2(CCC2)C1 ZINC000329288325 553918510 /nfs/dbraw/zinc/91/85/10/553918510.db2.gz PMXVCRPGFSYIKH-KSZLIROESA-N 1 0 365.518 2.360 20 30 FEEDRO O=C(NC1CC[NH+](C2CCCC2)CC1)N1CCOC[C@@H]1[C@@H]1CCCO1 ZINC000329298611 553920512 /nfs/dbraw/zinc/92/05/12/553920512.db2.gz UMCLHSIWLRIHKY-MSOLQXFVSA-N 1 0 351.491 2.187 20 30 FEEDRO COCC[N@@H+]1CC[C@H](NC(=O)C[C@H]2c3ccccc3CCN2C(C)=O)C1 ZINC000329316246 553923819 /nfs/dbraw/zinc/92/38/19/553923819.db2.gz QNXNJMKKACNFHZ-HKUYNNGSSA-N 1 0 359.470 2.200 20 30 FEEDRO COCCn1cc([C@H]2OCC[C@@H]2C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cn1 ZINC000329361980 553932651 /nfs/dbraw/zinc/93/26/51/553932651.db2.gz ISQLAJSQKXMDGU-XWTMOSNGSA-N 1 0 362.474 2.190 20 30 FEEDRO C[N@@H+]1CC[C@H]2CCN(C(=O)Nc3cccc(C(=O)N4CCCC4)c3)[C@H]2C1 ZINC000329423213 553943630 /nfs/dbraw/zinc/94/36/30/553943630.db2.gz HSEWDRTZBIOOLE-YJBOKZPZSA-N 1 0 356.470 2.494 20 30 FEEDRO C[NH+](C)[C@]1(CNC(=O)N2CCC[C@@](O)(C(F)(F)F)CC2)CCSC1 ZINC000329463851 553951328 /nfs/dbraw/zinc/95/13/28/553951328.db2.gz UQEZMGJGYCCLIS-KBPBESRZSA-N 1 0 369.453 2.117 20 30 FEEDRO C[C@H]1CSCCN(C(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2ccnn2C)C1 ZINC000329481162 553955229 /nfs/dbraw/zinc/95/52/29/553955229.db2.gz PLWIBYRTDURHRN-HLLBOEOZSA-N 1 0 365.547 2.402 20 30 FEEDRO O=C(Nc1ccccc1)NC1CCN(C(=O)[C@@H]2CCn3cncc3C2)CC1 ZINC000329491553 553957164 /nfs/dbraw/zinc/95/71/64/553957164.db2.gz VNBCJGGLBLNSHJ-OAHLLOKOSA-N 1 0 367.453 2.272 20 30 FEEDRO Cc1cc(N2CCC[C@H](NC(=O)N3CC[C@H]([NH+]4CCCC4)[C@H]3C)C2)n(C)n1 ZINC000329509823 553959582 /nfs/dbraw/zinc/95/95/82/553959582.db2.gz MKTXKQCTXMQVCK-SQNIBIBYSA-N 1 0 374.533 2.170 20 30 FEEDRO Cc1ccc(N2CCC[C@H](NC(=O)N(C)C3C[C@H]4CC[C@@H](C3)[N@H+]4C)C2)nn1 ZINC000329528161 553962188 /nfs/dbraw/zinc/96/21/88/553962188.db2.gz ICFARWUWANUNKH-XNHLSEOASA-N 1 0 372.517 2.225 20 30 FEEDRO C[NH+](C)CC1(CNC(=O)N2CCN(Cc3cscn3)CC2)CCCC1 ZINC000329548430 553965416 /nfs/dbraw/zinc/96/54/16/553965416.db2.gz DYSZIENWGJEWTI-UHFFFAOYSA-N 1 0 365.547 2.297 20 30 FEEDRO COCC[N@@H+]1CC[C@H](NC(=O)N2CCC[C@H]2c2ccc3c(c2)OCO3)C1 ZINC000329586229 553971993 /nfs/dbraw/zinc/97/19/93/553971993.db2.gz MLXNWFKXLQVUAU-HOTGVXAUSA-N 1 0 361.442 2.187 20 30 FEEDRO Cn1cc(NC(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)c(C2CC2)n1 ZINC000329594572 553973545 /nfs/dbraw/zinc/97/35/45/553973545.db2.gz BNDVALODBIEBRG-UHFFFAOYSA-N 1 0 360.506 2.182 20 30 FEEDRO CC[C@H](C)[NH2+][C@H](CNC(=O)C(=O)Nc1ccc(F)c(C#N)c1)c1ccco1 ZINC000506947360 561712274 /nfs/dbraw/zinc/71/22/74/561712274.db2.gz DFLNUOXWYUKSLY-BLLLJJGKSA-N 1 0 372.400 2.474 20 30 FEEDRO CC[C@H](C)[NH2+][C@H](CNC(=O)C(=O)Nc1ccc(C#N)cc1)c1ccco1 ZINC000506950399 561712286 /nfs/dbraw/zinc/71/22/86/561712286.db2.gz KXSFMHVIFCWRDT-XJKSGUPXSA-N 1 0 354.410 2.335 20 30 FEEDRO Cc1nnc2n1C[C@@H](C[NH+]=C([O-])N1CC[NH+](CC3CCCCC3)CC1)CC2 ZINC000329651643 553982782 /nfs/dbraw/zinc/98/27/82/553982782.db2.gz KXHXURWOLVDNEJ-GOSISDBHSA-N 1 0 374.533 2.261 20 30 FEEDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000329717649 553994751 /nfs/dbraw/zinc/99/47/51/553994751.db2.gz XUTCVIVGPITOEU-XDNAFOTISA-N 1 0 353.507 2.027 20 30 FEEDRO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)N2C([O-])=[NH+][C@H]1CCc2nc[nH]c2C1 ZINC000329727843 553996051 /nfs/dbraw/zinc/99/60/51/553996051.db2.gz 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Cc1ccc(N(C)C2CCN(C(=O)N[C@@H]3C[N@H+](C4CC4)C[C@@H]3C)CC2)nn1 ZINC000329816767 554011451 /nfs/dbraw/zinc/01/14/51/554011451.db2.gz WEGFHXDTJVJOAN-KBXCAEBGSA-N 1 0 372.517 2.082 20 30 FEEDRO C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCc3c[nH]nc3C2)C[N@@H+]1Cc1ccccc1 ZINC000329824143 554013004 /nfs/dbraw/zinc/01/30/04/554013004.db2.gz HSECMSBCFKRBSM-OLMNPRSZSA-N 1 0 353.470 2.434 20 30 FEEDRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)Nc1ccc(F)c(-n2nnnc2C2CC2)c1 ZINC000329852358 554018718 /nfs/dbraw/zinc/01/87/18/554018718.db2.gz RJWJEAOVGGYLFD-VXGBXAGGSA-N 1 0 373.436 2.249 20 30 FEEDRO CC[C@@H]1CC[C@H](C)N1C(=O)Nc1ccnc(C(=O)N2CCN(C)CC2)c1 ZINC000329860321 554020274 /nfs/dbraw/zinc/02/02/74/554020274.db2.gz XGKOEVLDZOTRJN-GOEBONIOSA-N 1 0 359.474 2.278 20 30 FEEDRO Cc1noc([C@H]2C[C@@H](O)CN2C(=O)NCC2([NH+](C)C)CCCCCC2)n1 ZINC000329909177 554029056 /nfs/dbraw/zinc/02/90/56/554029056.db2.gz MHVZOLREENJWPO-HUUCEWRRSA-N 1 0 365.478 2.054 20 30 FEEDRO CC[NH+]1CCN(c2cccc(NC(=O)N3CCC[C@@H](C)[C@H]3CO)c2)CC1 ZINC000329915169 554031197 /nfs/dbraw/zinc/03/11/97/554031197.db2.gz CWVJEWGVZPNJOT-VQIMIIECSA-N 1 0 360.502 2.467 20 30 FEEDRO Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N(C)C[C@H]3CCC[N@H+](C)C3)C2)n1 ZINC000329920505 554031881 /nfs/dbraw/zinc/03/18/81/554031881.db2.gz DZQAFUDGHJJUPB-HKUYNNGSSA-N 1 0 369.513 2.278 20 30 FEEDRO CC(=O)N[C@H](C(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C)C1CCCC1 ZINC000329932518 554034481 /nfs/dbraw/zinc/03/44/81/554034481.db2.gz BBFCBMDQHIUFQL-KDOFPFPSSA-N 1 0 351.491 2.233 20 30 FEEDRO COCC[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CCCO[C@H]2c2ccc(C)cc2)C1 ZINC000329968485 554041161 /nfs/dbraw/zinc/04/11/61/554041161.db2.gz WCVSSQVUGWKNIM-OTWHNJEPSA-N 1 0 361.486 2.439 20 30 FEEDRO COC1(CNC(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CCC(C)CC1 ZINC000329995580 554046192 /nfs/dbraw/zinc/04/61/92/554046192.db2.gz NKQNXHCJBPCFDI-TXQOSWKISA-N 1 0 367.534 2.463 20 30 FEEDRO COC1(CNC(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CCC(C)CC1 ZINC000329995581 554046388 /nfs/dbraw/zinc/04/63/88/554046388.db2.gz NKQNXHCJBPCFDI-YEHLNFIWSA-N 1 0 367.534 2.463 20 30 FEEDRO CC(=O)N1CCC[C@H](CNC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)C1 ZINC000330024717 554051380 /nfs/dbraw/zinc/05/13/80/554051380.db2.gz JYKBTVIHUIEUJK-MSOLQXFVSA-N 1 0 350.507 2.109 20 30 FEEDRO CC(=O)N1CCC[C@H](CNC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)C1 ZINC000330029503 554052155 /nfs/dbraw/zinc/05/21/55/554052155.db2.gz QCNFRMVSYNXDPZ-MSOLQXFVSA-N 1 0 350.507 2.109 20 30 FEEDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)N[C@@H]1CCO[C@H]1c1ccc(=O)[nH]c1 ZINC000330031227 554052161 /nfs/dbraw/zinc/05/21/61/554052161.db2.gz SWHCVKFLVKELDA-QBIMZIAESA-N 1 0 362.474 2.193 20 30 FEEDRO CC[C@@H](C)n1ncc(NC(=O)N2CC[C@H](N3CC[NH+](CC)CC3)C2)c1C ZINC000330097441 554063904 /nfs/dbraw/zinc/06/39/04/554063904.db2.gz ASEVVUUSOXFTAX-WBVHZDCISA-N 1 0 362.522 2.420 20 30 FEEDRO C[C@@H]1CN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C[C@@]2(CCCOC2)O1 ZINC000330104092 554065190 /nfs/dbraw/zinc/06/51/90/554065190.db2.gz HIVNXQUXIAZSEA-BCWVGCMDSA-N 1 0 351.491 2.186 20 30 FEEDRO O=C(Nc1cccc(C[NH+]2CCC(O)CC2)c1)[C@@H]1OC[C@@H]2COCC[C@@H]12 ZINC000330155068 554075276 /nfs/dbraw/zinc/07/52/76/554075276.db2.gz YBQFRXHGEIZRNE-KFKAGJAMSA-N 1 0 360.454 2.283 20 30 FEEDRO CCn1cc([C@@H]2NC(=O)CC[C@H]2NC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)cn1 ZINC000330194059 554082601 /nfs/dbraw/zinc/08/26/01/554082601.db2.gz YYOBXAQKPONXFL-KONPQCLYSA-N 1 0 374.489 2.193 20 30 FEEDRO C[C@H](Sc1nncn1C)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000330234282 554090544 /nfs/dbraw/zinc/09/05/44/554090544.db2.gz YHGMWVUIGSRQHK-CFVMTHIKSA-N 1 0 367.519 2.020 20 30 FEEDRO C[C@H](C(=O)NC(=O)NC1CC1)[NH+]1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000330238116 554091035 /nfs/dbraw/zinc/09/10/35/554091035.db2.gz VAJSGQZIWMMRAY-CJNGLKHVSA-N 1 0 353.463 2.458 20 30 FEEDRO C[C@H](CNC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1ccnn1C)C[NH+]1CCCCC1 ZINC000330262439 554095240 /nfs/dbraw/zinc/09/52/40/554095240.db2.gz UZYLHMZAFFHPHE-IIDMSEBBSA-N 1 0 361.490 2.018 20 30 FEEDRO Cn1cncc1[C@@H]1C[C@@H](NC(=O)NC2CC[NH+](CC3CC3)CC2)CCO1 ZINC000330281972 554099213 /nfs/dbraw/zinc/09/92/13/554099213.db2.gz AHVQWXBNUZUTEF-WMZOPIPTSA-N 1 0 361.490 2.018 20 30 FEEDRO C=CCc1cc(C[NH2+]CCC2CCS(=O)(=O)CC2)cc(OC)c1O ZINC000507833633 561742679 /nfs/dbraw/zinc/74/26/79/561742679.db2.gz KVBZGFWZVVBMAA-UHFFFAOYSA-N 1 0 353.484 2.434 20 30 FEEDRO Cc1csc([C@H]2COCCN2CC(=O)NC2CC[NH+](C3CC3)CC2)n1 ZINC000330350624 554110008 /nfs/dbraw/zinc/11/00/08/554110008.db2.gz LHWMRVBSYXQTAF-MRXNPFEDSA-N 1 0 364.515 2.408 20 30 FEEDRO COC(=O)[C@]1(C)C[N@H+](CC(=O)NC(=O)Nc2ccc(C)cc2C)C[C@H]1C ZINC000330381156 554113878 /nfs/dbraw/zinc/11/38/78/554113878.db2.gz NAMAWBFOJRFNOE-AUUYWEPGSA-N 1 0 361.442 2.096 20 30 FEEDRO CCC(=O)N[C@@H]1CCCN(C(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)C1 ZINC000330464155 554124836 /nfs/dbraw/zinc/12/48/36/554124836.db2.gz OLDYXGWRZRBCFX-BRWVUGGUSA-N 1 0 352.523 2.259 20 30 FEEDRO CC[N@@H+]1CCC[C@H](NC(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000330482750 554127131 /nfs/dbraw/zinc/12/71/31/554127131.db2.gz XVFIIZLHHFBUFF-HIFRSBDPSA-N 1 0 353.488 2.139 20 30 FEEDRO C[C@H](CNS(=O)(=O)Cc1cc(C#N)ccc1F)[N@@H+]1CCC[C@@H](C)C1 ZINC000330486466 554127756 /nfs/dbraw/zinc/12/77/56/554127756.db2.gz CRNOYSXDZMFKNC-ZIAGYGMSSA-N 1 0 353.463 2.237 20 30 FEEDRO CC[C@@H]1CN(C(=O)C(C)(C)NC(=O)c2ccccc2)CC[N@@H+]1C[C@@H](C)O ZINC000330799507 554173004 /nfs/dbraw/zinc/17/30/04/554173004.db2.gz HCVIKRXBLKQIQA-NVXWUHKLSA-N 1 0 361.486 2.073 20 30 FEEDRO C[NH+](C)CC[C@H](NC(=O)N1CCC[C@@H]1[C@@H]1COCC[C@@H]1O)C(C)(C)C ZINC000330799477 554173075 /nfs/dbraw/zinc/17/30/75/554173075.db2.gz IJMYPZAJLPUWLA-YVSFHVDLSA-N 1 0 355.523 2.129 20 30 FEEDRO CC(C)C(=O)NC1CCN(C(=O)NCC[C@H](C)[NH+]2CCCCC2)CC1 ZINC000330799595 554173092 /nfs/dbraw/zinc/17/30/92/554173092.db2.gz GBNUGXVCERNHNM-INIZCTEOSA-N 1 0 352.523 2.402 20 30 FEEDRO CC(C)CNC(=O)N1CCC[C@H](CC(=O)N2CC[NH+](CC(C)C)CC2)C1 ZINC000330893429 554184185 /nfs/dbraw/zinc/18/41/85/554184185.db2.gz DSTFQBCSVDWFGG-GOSISDBHSA-N 1 0 366.550 2.459 20 30 FEEDRO CCOc1ccc(C(=O)N(C)C)cc1NC(=O)N1CC[N@H+](C)[C@H](C)[C@H]1C ZINC000330895581 554184352 /nfs/dbraw/zinc/18/43/52/554184352.db2.gz SBRQSRONVZTJJA-ZIAGYGMSSA-N 1 0 362.474 2.357 20 30 FEEDRO CCC(=O)Nc1ccc(C)c(NC(=O)N2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)c1 ZINC000331017490 554201410 /nfs/dbraw/zinc/20/14/10/554201410.db2.gz HSZURUBSPBSZMU-HUUCEWRRSA-N 1 0 362.474 2.276 20 30 FEEDRO CNC(=O)NC(=O)CC[N@H+]1[C@H](C(=O)OC(C)(C)C)C[C@@H]2CCCC[C@@H]21 ZINC000331099638 554212485 /nfs/dbraw/zinc/21/24/85/554212485.db2.gz ARHQEMZDUVRJIA-IHRRRGAJSA-N 1 0 353.463 2.011 20 30 FEEDRO Cc1c(CNC(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000331100958 554213574 /nfs/dbraw/zinc/21/35/74/554213574.db2.gz ONRDDGSEJFWXRM-ZDUSSCGKSA-N 1 0 364.446 2.094 20 30 FEEDRO COc1c(C)cnc(C[NH+]2CCC(N(C)C(=O)NCCC#N)CC2)c1C ZINC000331164581 554224187 /nfs/dbraw/zinc/22/41/87/554224187.db2.gz SNIQCUQTPGZMSR-UHFFFAOYSA-N 1 0 359.474 2.431 20 30 FEEDRO C[NH+]1CCC(O)(CNC(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CC1 ZINC000331231927 554233999 /nfs/dbraw/zinc/23/39/99/554233999.db2.gz FEWCVOKOKJGSJO-UHFFFAOYSA-N 1 0 356.348 2.360 20 30 FEEDRO CC(C)(C)c1cc(C#N)c(NC(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)s1 ZINC000331849730 554329824 /nfs/dbraw/zinc/32/98/24/554329824.db2.gz VBEHWZRGQWEYSQ-UBHSHLNASA-N 1 0 374.510 2.442 20 30 FEEDRO CN1CC[NH+](CC2(C)CCN(C(=O)NCc3cccc(C#N)c3)CC2)CC1 ZINC000331954409 554351903 /nfs/dbraw/zinc/35/19/03/554351903.db2.gz ILWFTYGDUXKNED-UHFFFAOYSA-N 1 0 369.513 2.117 20 30 FEEDRO C[NH+](C)C[C@@H](NC(=O)C(=O)Nc1ccc(C#N)cc1)c1ccc(F)cc1 ZINC000510011283 561821744 /nfs/dbraw/zinc/82/17/44/561821744.db2.gz BPVDAQNRQRUVGV-QGZVFWFLSA-N 1 0 354.385 2.055 20 30 FEEDRO C=CC[C@@H]1[N@@H+](CC(=O)N2CCN(c3cnccn3)CC2)CCCC1(C)C ZINC000332524678 554462923 /nfs/dbraw/zinc/46/29/23/554462923.db2.gz DLXKXLHLACUILX-KRWDZBQOSA-N 1 0 357.502 2.192 20 30 FEEDRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000332546587 554468803 /nfs/dbraw/zinc/46/88/03/554468803.db2.gz NGKKLUFOQBSRJV-CJNGLKHVSA-N 1 0 361.877 2.041 20 30 FEEDRO C[C@@H]1C[C@@H](Nc2nc(N[C@@H]3CC[N@H+](C)[C@H](C)C3)ccc2C#N)CC[NH+]1C ZINC000333047618 554564005 /nfs/dbraw/zinc/56/40/05/554564005.db2.gz KSALMUADTRWUDU-AHCXZYCDSA-N 1 0 356.518 2.742 20 30 FEEDRO N#Cc1cc(S(=O)(=O)N2CCC3(CC[NH2+]3)CC2)ccc1C(F)(F)F ZINC000333243676 554593603 /nfs/dbraw/zinc/59/36/03/554593603.db2.gz FIXUXDYIHLQRGN-UHFFFAOYSA-N 1 0 359.373 2.094 20 30 FEEDRO N#Cc1ccc(OC2CCC(NC(=O)N3C[C@@H]4CC[C@H]([NH3+])[C@@H]4C3)CC2)nc1 ZINC000333856004 554649814 /nfs/dbraw/zinc/64/98/14/554649814.db2.gz YHXRQOLPRQDEMV-QUFRXWBVSA-N 1 0 369.469 2.022 20 30 FEEDRO CC1(C)CN(C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)CC[NH2+]1 ZINC000333855155 554649818 /nfs/dbraw/zinc/64/98/18/554649818.db2.gz YCGGEIDEJPTLCN-UHFFFAOYSA-N 1 0 357.458 2.037 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N[C@H]2CCC[C@@H](C(=O)NC(C)C)C2)CC1 ZINC000334036332 554671138 /nfs/dbraw/zinc/67/11/38/554671138.db2.gz LZZKPTVTOQKCKX-WBVHZDCISA-N 1 0 350.507 2.019 20 30 FEEDRO C=CCOC[C@@H]1NC(=O)N([C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1=O ZINC000348512035 554687662 /nfs/dbraw/zinc/68/76/62/554687662.db2.gz NDDHHQMYUGPATG-JQHSSLGASA-N 1 0 357.454 2.163 20 30 FEEDRO C=CCOc1ccccc1-c1nc(CC(=O)N2CCC([NH+](C)C)CC2)no1 ZINC000350273364 554775035 /nfs/dbraw/zinc/77/50/35/554775035.db2.gz LNUYCORXSFUREX-UHFFFAOYSA-N 1 0 370.453 2.397 20 30 FEEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(-n2cc(C)cn2)c(F)c1 ZINC000361439237 554921315 /nfs/dbraw/zinc/92/13/15/554921315.db2.gz CBWOBFFEBUIZRD-ZIAGYGMSSA-N 1 0 373.432 2.371 20 30 FEEDRO C#CCCOc1ccc(C[NH2+]C[C@]2(N3CCOCC3)CCCOC2)cc1 ZINC000362217357 554956246 /nfs/dbraw/zinc/95/62/46/554956246.db2.gz HECPNMIJMPOBQH-OAQYLSRUSA-N 1 0 358.482 2.060 20 30 FEEDRO N#CCCn1cc(CNC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c(-c2ccccc2)n1 ZINC000362719979 554983757 /nfs/dbraw/zinc/98/37/57/554983757.db2.gz QSEXEWYMBLTIPS-UXHICEINSA-N 1 0 365.481 2.417 20 30 FEEDRO C=CCN([C@@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)Cc1ccon1 ZINC000363127831 555036546 /nfs/dbraw/zinc/03/65/46/555036546.db2.gz GCQFEQXKAIHHDS-GOSISDBHSA-N 1 0 361.467 2.267 20 30 FEEDRO C#CCOc1ccc(C(=O)N2CCC(CC[NH+]3CCN(C)CC3)CC2)cc1 ZINC000363168680 555044341 /nfs/dbraw/zinc/04/43/41/555044341.db2.gz CQZUWPGGEMWWDY-UHFFFAOYSA-N 1 0 369.509 2.188 20 30 FEEDRO C=C(C)CN(CC)C(=O)C[N@@H+]1CCC[C@@H](C(=O)Nc2ncccc2C)C1 ZINC000363298087 555073111 /nfs/dbraw/zinc/07/31/11/555073111.db2.gz ANPLQXFRAPDRFZ-QGZVFWFLSA-N 1 0 358.486 2.465 20 30 FEEDRO Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N3CC[NH+](CC4CC4)CC3)C2)n1 ZINC000363327613 555078775 /nfs/dbraw/zinc/07/87/75/555078775.db2.gz RQPVNLVKDGJGOK-IBGZPJMESA-N 1 0 367.497 2.032 20 30 FEEDRO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@H](n2cnc3ccccc32)C1 ZINC000363510334 555124212 /nfs/dbraw/zinc/12/42/12/555124212.db2.gz NKOVAQDZEBFIRV-GJZGRUSLSA-N 1 0 355.442 2.074 20 30 FEEDRO C=CCN(CC=C)C(=O)[C@@H](C)N1CCN(C2CC[NH+](CCC)CC2)CC1 ZINC000363528967 555129168 /nfs/dbraw/zinc/12/91/68/555129168.db2.gz LYXGROMTNGYEJH-LJQANCHMSA-N 1 0 362.562 2.068 20 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/nfs/dbraw/zinc/95/40/60/561954060.db2.gz BZVUCTAOPVXBMU-UHFFFAOYSA-N 1 0 359.449 2.015 20 30 FEEDRO CS(=O)(=O)c1ccc(CN2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1 ZINC000366446933 555846511 /nfs/dbraw/zinc/84/65/11/555846511.db2.gz YIZKZMNYGGVWEW-INIZCTEOSA-N 1 0 357.435 2.010 20 30 FEEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@H]2C[NH2+]CCC[C@H]21 ZINC000366448145 555846869 /nfs/dbraw/zinc/84/68/69/555846869.db2.gz MCANZSXMXFYEJL-MAUKXSAKSA-N 1 0 356.470 2.199 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000366704875 555913610 /nfs/dbraw/zinc/91/36/10/555913610.db2.gz SZFUNABAOMUMMS-FQBWVUSXSA-N 1 0 365.518 2.156 20 30 FEEDRO C#CC[C@@H](Cc1ccccc1)NC(=O)C(C)(C)CN1CCn2ccnc2C1 ZINC000367348407 556024293 /nfs/dbraw/zinc/02/42/93/556024293.db2.gz OEUZDUVROYNCED-IBGZPJMESA-N 1 0 364.493 2.476 20 30 FEEDRO N#Cc1ccc(N2CC[C@H](C(=O)N3CC[C@H]([NH+]4CCCC4)C3)C2)c(F)c1 ZINC000367651467 556104978 /nfs/dbraw/zinc/10/49/78/556104978.db2.gz SCEZGQRXHKVJIW-IRXDYDNUSA-N 1 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ZINC000368147764 556230666 /nfs/dbraw/zinc/23/06/66/556230666.db2.gz IJYQSDDPTAAOKL-IBGZPJMESA-N 1 0 363.465 2.333 20 30 FEEDRO C=CCOc1cccc(C[N@H+]2CCC[C@@H](n3cc(C(=O)OC)nn3)C2)c1 ZINC000368349636 556284810 /nfs/dbraw/zinc/28/48/10/556284810.db2.gz STYUVKLXASRDBE-MRXNPFEDSA-N 1 0 356.426 2.467 20 30 FEEDRO N#CC[C@@H]1C[C@H]2[C@H](CCC[C@@H]2[NH2+]Cc2cccc(N3CCOCC3)n2)O1 ZINC000368417912 556302837 /nfs/dbraw/zinc/30/28/37/556302837.db2.gz VACCKAWHSDYNBK-YRXWBPOGSA-N 1 0 356.470 2.248 20 30 FEEDRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)[C@]1(C#N)CCc2ccccc2C1 ZINC000368589762 556355927 /nfs/dbraw/zinc/35/59/27/556355927.db2.gz JJFJXQKQOHNBEM-JOCHJYFZSA-N 1 0 368.525 2.170 20 30 FEEDRO C=CC[C@@H](C)[NH2+]C1CCN(S(=O)(=O)c2ccc(NC(C)=O)cc2)CC1 ZINC000368605276 556360274 /nfs/dbraw/zinc/36/02/74/556360274.db2.gz XQSWNOBOSJQOKY-CQSZACIVSA-N 1 0 365.499 2.352 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)cn1 ZINC000368849699 556428982 /nfs/dbraw/zinc/42/89/82/556428982.db2.gz DSVPWBSJRCNEQF-QGZVFWFLSA-N 1 0 370.478 2.144 20 30 FEEDRO COC(=O)c1cccc(C[NH2+][C@@H](C2CCOCC2)C2(CO)CCC2)c1C#N ZINC000515639565 562018076 /nfs/dbraw/zinc/01/80/76/562018076.db2.gz DOLUAPQJLFCMBQ-IBGZPJMESA-N 1 0 372.465 2.392 20 30 FEEDRO CCC[NH+]1CCN(C2CCN(c3ccc(C#N)cc3[N+](=O)[O-])CC2)CC1 ZINC000369153969 556518980 /nfs/dbraw/zinc/51/89/80/556518980.db2.gz FNOHATKUNAJVLE-UHFFFAOYSA-N 1 0 357.458 2.463 20 30 FEEDRO Cn1cc([C@@H](O)C[C@H]2CCC[N@@H+]2CCC(=O)Nc2sccc2C#N)cn1 ZINC000369284438 556564604 /nfs/dbraw/zinc/56/46/04/556564604.db2.gz RDKDUYAZOHDDSV-CVEARBPZSA-N 1 0 373.482 2.270 20 30 FEEDRO C#CCN(Cc1ccc(F)cc1)C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000369365092 556581177 /nfs/dbraw/zinc/58/11/77/556581177.db2.gz XSZYWAGSTGYLTM-LJQANCHMSA-N 1 0 372.488 2.139 20 30 FEEDRO N#Cc1ccc(NC(=O)CC[N@@H+]2CCCN(C(=O)c3ccoc3)CC2)cc1 ZINC000369386006 556586832 /nfs/dbraw/zinc/58/68/32/556586832.db2.gz NQWYIGAZSVLEAF-UHFFFAOYSA-N 1 0 366.421 2.328 20 30 FEEDRO C[N@@H+]1C[C@@H]2CN(S(=O)(=O)c3ccccc3C#N)C[C@H]2[C@@H]1c1ccccc1 ZINC000369678086 556666339 /nfs/dbraw/zinc/66/63/39/556666339.db2.gz JLXYCURXVADXBE-GGPKGHCWSA-N 1 0 367.474 2.482 20 30 FEEDRO N#Cc1ccccc1NC(=O)CC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000369693421 556670097 /nfs/dbraw/zinc/67/00/97/556670097.db2.gz RVAIPUVDBQPWBA-UHFFFAOYSA-N 1 0 368.397 2.329 20 30 FEEDRO C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)Nc2ccc(C#N)cc2)C1 ZINC000369803739 556699498 /nfs/dbraw/zinc/69/94/98/556699498.db2.gz OBAYJNIHCXZWIS-IBGZPJMESA-N 1 0 362.433 2.230 20 30 FEEDRO N#CC[C@@H]1C[C@H]2[C@H](CCC[C@H]2[NH2+]Cc2cccnc2N2CCOCC2)O1 ZINC000369848121 556711536 /nfs/dbraw/zinc/71/15/36/556711536.db2.gz SAJFACICQMEHQB-MKXGPGLRSA-N 1 0 356.470 2.248 20 30 FEEDRO Cc1ccc(C#N)c(N2CCC[C@H](C(=O)NC3CC[NH+](C(C)C)CC3)C2)n1 ZINC000369935320 556734769 /nfs/dbraw/zinc/73/47/69/556734769.db2.gz HIAOMVQZJZGKTE-SFHVURJKSA-N 1 0 369.513 2.467 20 30 FEEDRO CC1(C(=O)N2CCN(C3CC3)[C@H](C#N)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000369954459 556740550 /nfs/dbraw/zinc/74/05/50/556740550.db2.gz IDIYGAMAGMZSDC-HXUWFJFHSA-N 1 0 366.509 2.487 20 30 FEEDRO CO/N=C/c1ccc(C(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cnn(C)c2)cc1 ZINC000370231797 556817608 /nfs/dbraw/zinc/81/76/08/556817608.db2.gz FVYIAHAQUAZXCH-DDVIERGOSA-N 1 0 369.469 2.213 20 30 FEEDRO Cc1ccc(C#N)cc1NC(=O)C(=O)N1CCC([NH2+]C2CCCC2)CC1 ZINC000370715369 556947810 /nfs/dbraw/zinc/94/78/10/556947810.db2.gz GICDXROKKHLAHS-UHFFFAOYSA-N 1 0 354.454 2.328 20 30 FEEDRO N#Cc1ccc(CSCC(=O)NC[C@@H]2CCC[C@@H]2[NH+]2CCOCC2)cc1 ZINC000370772399 556963552 /nfs/dbraw/zinc/96/35/52/556963552.db2.gz KEOFYJJKQLHPFP-OALUTQOASA-N 1 0 373.522 2.409 20 30 FEEDRO COc1ccc(C#N)cc1C[NH+]1CCC(C(=O)Nc2cnccn2)CC1 ZINC000370813704 556975742 /nfs/dbraw/zinc/97/57/42/556975742.db2.gz AMATWXKIQDUZNE-UHFFFAOYSA-N 1 0 351.410 2.208 20 30 FEEDRO CN(CCC#N)C[C@@H](O)C[NH2+]Cc1cc(F)c(C(F)(F)F)cc1F ZINC000517129657 562076740 /nfs/dbraw/zinc/07/67/40/562076740.db2.gz HZSPPXWUCBYGFA-NSHDSACASA-N 1 0 351.319 2.280 20 30 FEEDRO C#CCNC(=O)[C@@H](C)[N@H+](C)CC1CCN(C(=O)Nc2ccc(F)cc2)CC1 ZINC000371250081 557119614 /nfs/dbraw/zinc/11/96/14/557119614.db2.gz RXICUJVSNNIARW-OAHLLOKOSA-N 1 0 374.460 2.139 20 30 FEEDRO N#C[C@H](c1cccs1)N1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C2CC2)CC1 ZINC000371470297 557190640 /nfs/dbraw/zinc/19/06/40/557190640.db2.gz KNYAASKVMBPPIE-IAGOWNOFSA-N 1 0 358.511 2.331 20 30 FEEDRO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCC2(C[C@@H]2C(=O)N(C)C2CC2)CC1 ZINC000371546351 557217204 /nfs/dbraw/zinc/21/72/04/557217204.db2.gz ZOALZQVALJYVCH-SJLPKXTDSA-N 1 0 359.514 2.298 20 30 FEEDRO C=C(C)CN(CC)C(=O)C(=O)N1CC[C@@H]([N@H+](C)CCc2ccccc2)C1 ZINC000518218336 562106578 /nfs/dbraw/zinc/10/65/78/562106578.db2.gz GZOFOBZQNDSYDB-LJQANCHMSA-N 1 0 357.498 2.186 20 30 FEEDRO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccc(C#N)c(F)c1)c1cccs1 ZINC000518447793 562111678 /nfs/dbraw/zinc/11/16/78/562111678.db2.gz FAQFCEQAZGMBLN-AWEZNQCLSA-N 1 0 360.414 2.116 20 30 FEEDRO N#Cc1ccccc1Cn1cccc1CNC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000372671969 557534231 /nfs/dbraw/zinc/53/42/31/557534231.db2.gz FTOYBWKXHLVVQP-SFTDATJTSA-N 1 0 350.466 2.361 20 30 FEEDRO COc1cccc2c1C[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)C2 ZINC000519702316 562140635 /nfs/dbraw/zinc/14/06/35/562140635.db2.gz YBKNEYSUPJEWDD-INIZCTEOSA-N 1 0 356.447 2.098 20 30 FEEDRO CN(CCC#N)C[C@@H](O)C[NH2+]CC1(c2ccccc2Cl)CCOCC1 ZINC000519822627 562145502 /nfs/dbraw/zinc/14/55/02/562145502.db2.gz PTRCJLXLVCCCGB-INIZCTEOSA-N 1 0 365.905 2.184 20 30 FEEDRO CN(CCC#N)C(=O)CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C1CCCC1 ZINC000373156867 557640714 /nfs/dbraw/zinc/64/07/14/557640714.db2.gz WLULKJTYJVMRCP-MOPGFXCFSA-N 1 0 374.529 2.394 20 30 FEEDRO C=CCCCCC[NH+]1CCN([C@H]2CCCN(c3cnn(C)c3)C2=O)CC1 ZINC000373281793 557664436 /nfs/dbraw/zinc/66/44/36/557664436.db2.gz AAILTBLKSDIOAH-IBGZPJMESA-N 1 0 359.518 2.280 20 30 FEEDRO C=CCCCCC[N@@H+]1CCC[C@@H](n2ncc(N3CCOCC3)cc2=O)C1 ZINC000373292574 557666806 /nfs/dbraw/zinc/66/68/06/557666806.db2.gz JSIVBTKEUBMHGG-GOSISDBHSA-N 1 0 360.502 2.463 20 30 FEEDRO N#CCCSc1ccccc1NC(=O)C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000520199398 562150467 /nfs/dbraw/zinc/15/04/67/562150467.db2.gz JMUAVADWYNGFAN-IBGZPJMESA-N 1 0 372.494 2.233 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N2C[C@]3(CCOC3)OC(C)(C)C2)CC1 ZINC000373488163 557703028 /nfs/dbraw/zinc/70/30/28/557703028.db2.gz FWFKSBBHGRNACX-IBGZPJMESA-N 1 0 351.491 2.006 20 30 FEEDRO Cc1oc(C#N)cc1C(=O)N(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000373863570 557775684 /nfs/dbraw/zinc/77/56/84/557775684.db2.gz SDOFAYFROAOASR-HXUWFJFHSA-N 1 0 353.422 2.169 20 30 FEEDRO C=CC[C@@H](CO)[NH2+]C[C@H](O)COc1ccc(Cl)cc1Br ZINC000520812812 562164281 /nfs/dbraw/zinc/16/42/81/562164281.db2.gz FSEJGQPJSABNBE-RYUDHWBXSA-N 1 0 364.667 2.369 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)Cc1cnc2c(C#N)cnn2c1 ZINC000520812838 562164323 /nfs/dbraw/zinc/16/43/23/562164323.db2.gz GNMOZPJAIRTKFM-UHFFFAOYSA-N 1 0 359.437 2.036 20 30 FEEDRO COc1ccc(C[NH2+][C@H]2CCN(c3cnn(C)c3)C2)cc1OCCCC#N ZINC000374246841 557850122 /nfs/dbraw/zinc/85/01/22/557850122.db2.gz BTWQYWMWGNAXKN-KRWDZBQOSA-N 1 0 369.469 2.480 20 30 FEEDRO C[C@H](CC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)n1ccnc1 ZINC000521051566 562168438 /nfs/dbraw/zinc/16/84/38/562168438.db2.gz DVFUKWBEKWWZAQ-QGZVFWFLSA-N 1 0 351.454 2.440 20 30 FEEDRO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCC[C@H]1[C@H](O)c1ccc(OC)cc1 ZINC000374398494 557878896 /nfs/dbraw/zinc/87/88/96/557878896.db2.gz KCPGYDBTHUHDCP-MOXGXCLJSA-N 1 0 359.470 2.201 20 30 FEEDRO CCN(C[C@H](C)C#N)S(=O)(=O)N1CCC([NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000374456532 557886341 /nfs/dbraw/zinc/88/63/41/557886341.db2.gz MYEMAJCZWCRTMP-YESZJQIVSA-N 1 0 370.563 2.155 20 30 FEEDRO C[C@@H](NC(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1)C1=CC[N@H+](C)CC1 ZINC000374727539 557922072 /nfs/dbraw/zinc/92/20/72/557922072.db2.gz BQKIYAXKXNUUEA-DNVCBOLYSA-N 1 0 354.454 2.292 20 30 FEEDRO CCN(CCC#N)C(=O)C[NH2+][C@@H]1CCN(C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000374851174 557941077 /nfs/dbraw/zinc/94/10/77/557941077.db2.gz ORACERJELPYXQL-TZIWHRDSSA-N 1 0 370.497 2.325 20 30 FEEDRO CCN(CC(=O)N(CCC#N)CCC#N)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000375211184 557992512 /nfs/dbraw/zinc/99/25/12/557992512.db2.gz NUSBFMZHJBCDEW-HXUWFJFHSA-N 1 0 367.497 2.239 20 30 FEEDRO C(#CC[N@@H+]1CCC[C@H](c2cc[nH]n2)C1)CN1CCC[C@H](c2cc[nH]n2)C1 ZINC000375473796 558033609 /nfs/dbraw/zinc/03/36/09/558033609.db2.gz OMWDKPVUBJINMF-ROUUACIJSA-N 1 0 352.486 2.195 20 30 FEEDRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)c3ccc(C(C)(C)C#N)cc3)CC2)C1 ZINC000375694420 558068889 /nfs/dbraw/zinc/06/88/89/558068889.db2.gz XFJHVKZKBYJBQA-LJQANCHMSA-N 1 0 354.498 2.340 20 30 FEEDRO Cn1cc(CN(C2CC2)[C@@H]2CCS(=O)(=O)C2)c(-c2ccc(C#N)cc2)n1 ZINC000376827774 558226448 /nfs/dbraw/zinc/22/64/48/558226448.db2.gz JZXLWKDBJYMTIV-GOSISDBHSA-N 1 0 370.478 2.110 20 30 FEEDRO COCCOc1ccc(C#N)cc1NC(=O)N1CC[C@@H]2CC[N@H+](C)[C@H]2C1 ZINC000376837120 558227928 /nfs/dbraw/zinc/22/79/28/558227928.db2.gz ROAWPSMZMPSBLF-RDJZCZTQSA-N 1 0 358.442 2.141 20 30 FEEDRO C#CCCS(=O)(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1ccc(OC)cc1 ZINC000377310602 558312201 /nfs/dbraw/zinc/31/22/01/558312201.db2.gz LFYDFQAYJPILIK-WMZOPIPTSA-N 1 0 350.484 2.021 20 30 FEEDRO CCN(CCC#N)C(=O)CN1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000377766672 558415377 /nfs/dbraw/zinc/41/53/77/558415377.db2.gz LEKQGMLWXYUITK-UXHICEINSA-N 1 0 354.498 2.202 20 30 FEEDRO N#CCOc1ccc(CNC(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)cc1 ZINC000377808968 558424108 /nfs/dbraw/zinc/42/41/08/558424108.db2.gz JPFWUCCHDHOELD-WDSOQIARSA-N 1 0 354.454 2.215 20 30 FEEDRO C[C@@H]1C[N@@H+](CC2CCN(S(=O)(=O)CCC(C)(C)C#N)CC2)C[C@H](C)O1 ZINC000377888783 558442343 /nfs/dbraw/zinc/44/23/43/558442343.db2.gz LYXCCQBBWCHBRZ-IYBDPMFKSA-N 1 0 371.547 2.077 20 30 FEEDRO Cc1cc(=NC(=O)C2CCN(c3cc[nH+]cc3C)CC2)[nH]n1CCC#N ZINC000378359085 558538251 /nfs/dbraw/zinc/53/82/51/558538251.db2.gz WWYXUQDFMXHIRL-UHFFFAOYSA-N 1 0 352.442 2.664 20 30 FEEDRO Cc1cc(=O)[nH]cc1C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000378501191 558570613 /nfs/dbraw/zinc/57/06/13/558570613.db2.gz YUFXCYJNDDGFQS-UHFFFAOYSA-N 1 0 350.422 2.384 20 30 FEEDRO N#CCCN(C(=O)C[N@@H+]1CCC[C@H](C(=O)N2CCCC2)C1)c1ccccc1 ZINC000523638956 562216391 /nfs/dbraw/zinc/21/63/91/562216391.db2.gz OWIZUUPQMGLHGR-SFHVURJKSA-N 1 0 368.481 2.268 20 30 FEEDRO Cc1cc(=NC(=O)N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)[nH]n1CCC#N ZINC000378510897 558572541 /nfs/dbraw/zinc/57/25/41/558572541.db2.gz JGKXZUVUESXTTG-SFHVURJKSA-N 1 0 366.469 2.843 20 30 FEEDRO C[N@H+](Cc1ccccc1)CC(C)(C)NS(=O)(=O)c1cccnc1C#N ZINC000379707631 558602295 /nfs/dbraw/zinc/60/22/95/558602295.db2.gz TZPJZPBDWAWHGJ-UHFFFAOYSA-N 1 0 358.467 2.142 20 30 FEEDRO Cc1ncc(S(=O)(=O)NCC[C@@H](C)[N@H+](C)Cc2ccccc2)cc1C#N ZINC000379708537 558602313 /nfs/dbraw/zinc/60/23/13/558602313.db2.gz VPCWGCWXWCUDSL-OAHLLOKOSA-N 1 0 372.494 2.451 20 30 FEEDRO C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]C[C@H](O)COc1ccccc1C#N ZINC000389825717 558610049 /nfs/dbraw/zinc/61/00/49/558610049.db2.gz QHDYRZRWWCRYMP-JRGCBEDISA-N 1 0 365.477 2.408 20 30 FEEDRO C[C@H](C[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)N(C)Cc1ccccc1 ZINC000390727392 558611633 /nfs/dbraw/zinc/61/16/33/558611633.db2.gz SGYXUYWGRNLHAH-QGZVFWFLSA-N 1 0 371.506 2.442 20 30 FEEDRO C[C@H]1CCC[C@](C[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)(N(C)C)C1 ZINC000392795323 558619081 /nfs/dbraw/zinc/61/90/81/558619081.db2.gz QPVQEMJPHLALDH-LPHOPBHVSA-N 1 0 363.527 2.432 20 30 FEEDRO Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N3CC[N@@H+](C)C[C@@H]3C(C)C)C2)n1 ZINC000408283605 558663792 /nfs/dbraw/zinc/66/37/92/558663792.db2.gz MNIDUTJTCRWLHS-RTBURBONSA-N 1 0 369.513 2.277 20 30 FEEDRO CC[N@H+](CCC1CCN(S(=O)(=O)N(C)C[C@H](C)C#N)CC1)CC(C)C ZINC000409479168 558695418 /nfs/dbraw/zinc/69/54/18/558695418.db2.gz WAIPNBVQSPYLLB-QGZVFWFLSA-N 1 0 372.579 2.403 20 30 FEEDRO CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NS(=O)(=O)N(C)C[C@@H](C)C#N ZINC000409507844 558698910 /nfs/dbraw/zinc/69/89/10/558698910.db2.gz BJCNSUXJONHWML-WMZOPIPTSA-N 1 0 366.531 2.069 20 30 FEEDRO CCN(CCC#N)S(=O)(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000409584806 558705293 /nfs/dbraw/zinc/70/52/93/558705293.db2.gz YQTPPKYFUPKXSF-SFHVURJKSA-N 1 0 364.515 2.111 20 30 FEEDRO C[C@@H]1CN(c2ccc(C(F)(F)F)c(C#N)n2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000409719611 558716129 /nfs/dbraw/zinc/71/61/29/558716129.db2.gz ZCMKOFJWEWZUEM-CJNGLKHVSA-N 1 0 367.419 2.434 20 30 FEEDRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CSc2ccc(C#N)cc2F)C1 ZINC000524727021 562233195 /nfs/dbraw/zinc/23/31/95/562233195.db2.gz BSNLBTULGDIIEQ-HNNXBMFYSA-N 1 0 365.474 2.262 20 30 FEEDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2ncc(C#N)cc2Cl)[C@@H](C)C1 ZINC000410485458 558766659 /nfs/dbraw/zinc/76/66/59/558766659.db2.gz TVSFLAXWDRIYDH-BBRMVZONSA-N 1 0 364.877 2.473 20 30 FEEDRO COC[C@@](C)(CC(=O)OC)[NH2+]CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000411392556 558886516 /nfs/dbraw/zinc/88/65/16/558886516.db2.gz QEYBQXNKOQQZMG-QGZVFWFLSA-N 1 0 367.833 2.098 20 30 FEEDRO Cn1nc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1C1CC1 ZINC000525656896 562251520 /nfs/dbraw/zinc/25/15/20/562251520.db2.gz YPIBDXUKDORZQM-UHFFFAOYSA-N 1 0 351.454 2.373 20 30 FEEDRO C=CCN1C(=O)c2ccc(C(=O)NC3C[C@H]4CCC[C@@H](C3)[N@H+]4C)cc2C1=O ZINC000525720238 562253351 /nfs/dbraw/zinc/25/33/51/562253351.db2.gz DRKYWBVJXHRESN-MQVJKMGUSA-N 1 0 367.449 2.214 20 30 FEEDRO C[C@@H](CNC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)[NH+]1CCCC1 ZINC000525780280 562254866 /nfs/dbraw/zinc/25/48/66/562254866.db2.gz OUUDONPHVJVFPO-NSHDSACASA-N 1 0 368.359 2.116 20 30 FEEDRO CNC(=O)C[C@@H]([NH2+]CCC(=O)Nc1cccc(C#N)c1)c1ccccc1 ZINC000411684644 558943598 /nfs/dbraw/zinc/94/35/98/558943598.db2.gz UIGZUITVCZUBKD-GOSISDBHSA-N 1 0 350.422 2.354 20 30 FEEDRO Cc1ccc(C#N)cc1NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccsc1 ZINC000411700955 558946951 /nfs/dbraw/zinc/94/69/51/558946951.db2.gz YRQUYJBGMJUCNU-UHFFFAOYSA-N 1 0 370.478 2.457 20 30 FEEDRO N#Cc1cccnc1OC1CCC(NC(=O)NCC[N@H+]2CC=CCC2)CC1 ZINC000525983160 562262220 /nfs/dbraw/zinc/26/22/20/562262220.db2.gz BKRQDUXQNCSOEF-UHFFFAOYSA-N 1 0 369.469 2.204 20 30 FEEDRO COC1([C@@H](C)[NH2+]CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CCC1 ZINC000412029517 559003896 /nfs/dbraw/zinc/00/38/96/559003896.db2.gz YITABPISPXAACU-CQSZACIVSA-N 1 0 353.426 2.230 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)Cc2c(F)c(OC)ccc2[N+](=O)[O-])CC1 ZINC000412034073 559004590 /nfs/dbraw/zinc/00/45/90/559004590.db2.gz FOOCCRDCLCVSCT-UHFFFAOYSA-N 1 0 365.405 2.442 20 30 FEEDRO COC(=O)[C@@]1(C)CCC[N@@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000412067833 559009099 /nfs/dbraw/zinc/00/90/99/559009099.db2.gz MGOKVSWRAUXYLP-XLIONFOSSA-N 1 0 355.438 2.329 20 30 FEEDRO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](CCC(=O)OC(C)(C)C)C1 ZINC000412074425 559010282 /nfs/dbraw/zinc/01/02/82/559010282.db2.gz RAANSCVBXUFFFC-GJZGRUSLSA-N 1 0 367.490 2.221 20 30 FEEDRO C[C@@H]1C[C@H](CNC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)[C@H](C)O1 ZINC000413738380 559128037 /nfs/dbraw/zinc/12/80/37/559128037.db2.gz APVPQKVFOSBGID-JTDSTZFVSA-N 1 0 358.486 2.445 20 30 FEEDRO C[NH+]1CCN(C[C@H](O)COc2ccc(Oc3ccc(C#N)cc3)cc2)CC1 ZINC000414155590 559151086 /nfs/dbraw/zinc/15/10/86/559151086.db2.gz VIHNMKVQEHWJRU-SFHVURJKSA-N 1 0 367.449 2.338 20 30 FEEDRO CN(C)c1ncc(C[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3F)C2)n1C ZINC000414332753 559156892 /nfs/dbraw/zinc/15/68/92/559156892.db2.gz ACUPCILXHRRVKX-OAHLLOKOSA-N 1 0 356.449 2.255 20 30 FEEDRO COCC1(CNC(=O)Nc2cc(C#N)ccc2OC(C)C)CC[NH2+]CC1 ZINC000415001342 559199934 /nfs/dbraw/zinc/19/99/34/559199934.db2.gz LEPCKMJIXPEBLP-UHFFFAOYSA-N 1 0 360.458 2.483 20 30 FEEDRO C[NH2+][C@H]1CCN(C(=O)C(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)C)C3)C1 ZINC000415305294 559222600 /nfs/dbraw/zinc/22/26/00/559222600.db2.gz VFWQXTXGLSFPSH-OLZOCXBDSA-N 1 0 374.510 2.139 20 30 FEEDRO CC(C)[C@@H]1CCc2c(C#N)c(NC(=O)C(=O)N[C@H]3CCC[NH2+]C3)sc2C1 ZINC000415312404 559223226 /nfs/dbraw/zinc/22/32/26/559223226.db2.gz GCQRGZBZOLRTBP-OLZOCXBDSA-N 1 0 374.510 2.187 20 30 FEEDRO N#Cc1cccc(Oc2ccc(NC(=O)C(=O)N3CCC[NH2+]CC3)cc2)c1 ZINC000415316433 559223692 /nfs/dbraw/zinc/22/36/92/559223692.db2.gz JMPQZBVPPLAIKA-UHFFFAOYSA-N 1 0 364.405 2.111 20 30 FEEDRO CC(C)[C@H]1CCc2c(C#N)c(NC(=O)C(=O)N(C)[C@H](C)C[NH3+])sc2C1 ZINC000415419982 559233664 /nfs/dbraw/zinc/23/36/64/559233664.db2.gz RTQFJAOYSKBHNA-NEPJUHHUSA-N 1 0 362.499 2.125 20 30 FEEDRO C[C@@H]1CN(C(=O)C(=O)Nc2ccccc2C#Cc2ccccc2)CC[C@@H]1[NH3+] ZINC000415435788 559236464 /nfs/dbraw/zinc/23/64/64/559236464.db2.gz JRSNSUAZPHYVAN-APWZRJJASA-N 1 0 361.445 2.221 20 30 FEEDRO C[C@H]1CCCN(C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)[C@@H]1C[NH3+] ZINC000415437494 559236854 /nfs/dbraw/zinc/23/68/54/559236854.db2.gz CCIZEKZGMLEOHZ-BLLLJJGKSA-N 1 0 372.860 2.988 20 30 FEEDRO CC(C)C[C@@H](C[NH3+])NC(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 ZINC000415444350 559237549 /nfs/dbraw/zinc/23/75/49/559237549.db2.gz GBRDNDKKCSSORT-ZDUSSCGKSA-N 1 0 360.849 2.892 20 30 FEEDRO C[C@@H]1CN(C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)[C@H](C)C[NH2+]1 ZINC000415446735 559237888 /nfs/dbraw/zinc/23/78/88/559237888.db2.gz HKSMTNZCZSGDOX-VXGBXAGGSA-N 1 0 358.833 2.611 20 30 FEEDRO N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)NCCC[NH2+]C2CC2)n1 ZINC000415463290 559239784 /nfs/dbraw/zinc/23/97/84/559239784.db2.gz QHDJELTZCCZCFX-UHFFFAOYSA-N 1 0 358.833 2.661 20 30 FEEDRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)C1 ZINC000415468777 559240520 /nfs/dbraw/zinc/24/05/20/559240520.db2.gz WVYOXWSNPONODE-DGCLKSJQSA-N 1 0 358.833 2.598 20 30 FEEDRO CC[NH2+]CC1CCN(C(=O)C(=O)Nc2ccc(CC#N)cc2Cl)CC1 ZINC000415474126 559241095 /nfs/dbraw/zinc/24/10/95/559241095.db2.gz BTSVCSXWMBPSLJ-UHFFFAOYSA-N 1 0 362.861 2.193 20 30 FEEDRO CCCN(C(=O)C(=O)Nc1ccc(CC#N)cc1Cl)C1CC[NH2+]CC1 ZINC000415498508 559243734 /nfs/dbraw/zinc/24/37/34/559243734.db2.gz JRGKWFOBBHFMOH-UHFFFAOYSA-N 1 0 362.861 2.335 20 30 FEEDRO CC(C)[C@H]([NH3+])CNC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N ZINC000415570797 559251095 /nfs/dbraw/zinc/25/10/95/559251095.db2.gz YWRZLWZFRBBEPX-MRXNPFEDSA-N 1 0 357.458 2.374 20 30 FEEDRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)Nc2ccccc2C#Cc2ccccc2)C1 ZINC000415585333 559252646 /nfs/dbraw/zinc/25/26/46/559252646.db2.gz XEIPIJUEBRULPJ-QFBILLFUSA-N 1 0 361.445 2.221 20 30 FEEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000415584477 559252704 /nfs/dbraw/zinc/25/27/04/559252704.db2.gz SOQCAMZNFUJXLG-KUHUBIRLSA-N 1 0 374.510 2.383 20 30 FEEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000415624778 559256033 /nfs/dbraw/zinc/25/60/33/559256033.db2.gz NDRXFRSLWZIYEL-ZIAGYGMSSA-N 1 0 360.483 2.278 20 30 FEEDRO C[C@@H]1C[C@H](NC(=O)C(=O)Nc2cccc(C#Cc3ccccc3)c2)CC[NH2+]1 ZINC000415655552 559258707 /nfs/dbraw/zinc/25/87/07/559258707.db2.gz HSCZVZAPJGGSDC-OXQOHEQNSA-N 1 0 361.445 2.282 20 30 FEEDRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)Nc1cccc(C#Cc2ccccc2)c1 ZINC000415660194 559259137 /nfs/dbraw/zinc/25/91/37/559259137.db2.gz PHJVTNKMCZMRSN-OXJNMPFZSA-N 1 0 361.445 2.139 20 30 FEEDRO CO[C@H]1CCN(C(=O)Nc2ccc(C#N)c(Br)c2)[C@H](C[NH3+])C1 ZINC000415687020 559261807 /nfs/dbraw/zinc/26/18/07/559261807.db2.gz FCOKELPRAPZOOX-STQMWFEESA-N 1 0 367.247 2.291 20 30 FEEDRO C[C@@H](CCCC[NH3+])NC(=O)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 ZINC000415738540 559266363 /nfs/dbraw/zinc/26/63/63/559266363.db2.gz FSNOCYRKBRCJQF-JTQLQIEISA-N 1 0 372.347 2.029 20 30 FEEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N(C)C1C[NH2+]C1 ZINC000415746511 559267144 /nfs/dbraw/zinc/26/71/44/559267144.db2.gz TUBJHIDJQNQLEL-UHFFFAOYSA-N 1 0 364.405 2.028 20 30 FEEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000415845078 559277984 /nfs/dbraw/zinc/27/79/84/559277984.db2.gz JNJQCLXXVHUQGS-QLFBSQMISA-N 1 0 374.510 2.320 20 30 FEEDRO N#Cc1ccc(OC2CCN(C(=O)N[C@H](CC[NH3+])C(F)(F)F)CC2)cc1 ZINC000416057929 559291039 /nfs/dbraw/zinc/29/10/39/559291039.db2.gz ZQPIJBQWHCKUIU-OAHLLOKOSA-N 1 0 370.375 2.391 20 30 FEEDRO C[C@H](C#N)S(=O)(=O)N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000416399234 559310054 /nfs/dbraw/zinc/31/00/54/559310054.db2.gz OGHFTFDQAYFGBS-RISCZKNCSA-N 1 0 361.389 2.111 20 30 FEEDRO C=CCN(C(=O)N[C@@H]1CC[N@@H+](CC)C1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000416735076 559330545 /nfs/dbraw/zinc/33/05/45/559330545.db2.gz PVNCRHABAGULOA-DOTOQJQBSA-N 1 0 369.473 2.015 20 30 FEEDRO O=C(NCC#Cc1cccc(C(F)(F)F)c1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000416938617 559339270 /nfs/dbraw/zinc/33/92/70/559339270.db2.gz BIBLTAKFDXQRCN-CYBMUJFWSA-N 1 0 361.314 2.353 20 30 FEEDRO O=C(NCC#Cc1cccc(C(F)(F)F)c1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000416956656 559340221 /nfs/dbraw/zinc/34/02/21/559340221.db2.gz YDXWTPQEQAUBPX-GOEBONIOSA-N 1 0 351.372 2.450 20 30 FEEDRO C[NH2+]C[C@@H]1CCCN1C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000417575248 559367253 /nfs/dbraw/zinc/36/72/53/559367253.db2.gz IZQPVKPSBCMSBY-CVEARBPZSA-N 1 0 359.449 2.060 20 30 FEEDRO N#Cc1ccc(N2CCC[C@H](NC(=O)N[C@H]3CC[C@H](C[NH3+])C3)C2)c(F)c1 ZINC000417573400 559367312 /nfs/dbraw/zinc/36/73/12/559367312.db2.gz HPTQNTRONQNQLM-BPUTZDHNSA-N 1 0 359.449 2.093 20 30 FEEDRO N#Cc1ccc(CN2CCN(C(=O)N[C@@H](C[NH3+])C3CCCCC3)CC2)cc1 ZINC000418353208 559398640 /nfs/dbraw/zinc/39/86/40/559398640.db2.gz CTPKKJWJBPXGLY-FQEVSTJZSA-N 1 0 369.513 2.293 20 30 FEEDRO N#Cc1cccc([C@H]2CN(C(=O)NC[C@H]([NH3+])c3ccccc3)CCO2)c1 ZINC000418426504 559401142 /nfs/dbraw/zinc/40/11/42/559401142.db2.gz JZOPYGUJFAEDIU-RBUKOAKNSA-N 1 0 350.422 2.341 20 30 FEEDRO N#Cc1ccc(N2CCN(C(=O)NC[C@H]3CCC[C@@H]([NH3+])C3)CC2)c(F)c1 ZINC000418732774 559413034 /nfs/dbraw/zinc/41/30/34/559413034.db2.gz UVNPMKYSNOCTHH-JKSUJKDBSA-N 1 0 359.449 2.046 20 30 FEEDRO N#Cc1ccc(N2CCN(C(=O)NCCC[C@@H]3CCC[NH2+]3)CC2)c(F)c1 ZINC000418770395 559415165 /nfs/dbraw/zinc/41/51/65/559415165.db2.gz OHDAKXSITNRLDT-INIZCTEOSA-N 1 0 359.449 2.061 20 30 FEEDRO C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N(CC[NH3+])Cc1ccccc1 ZINC000419059890 559426620 /nfs/dbraw/zinc/42/66/20/559426620.db2.gz SBWIZTIRMBGUMH-HXUWFJFHSA-N 1 0 365.477 2.278 20 30 FEEDRO C[C@H](C[NH3+])CNC(=O)C(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000419203986 559432572 /nfs/dbraw/zinc/43/25/72/559432572.db2.gz HKVJBDPMRACSAN-HUUCEWRRSA-N 1 0 364.449 2.113 20 30 FEEDRO CC1(C)CCC[NH2+][C@H]1CNC(=O)C(=O)N[C@H](CCC#N)c1ccccc1 ZINC000419479694 559444518 /nfs/dbraw/zinc/44/45/18/559444518.db2.gz VCEXPPVSMTZZBW-SJORKVTESA-N 1 0 356.470 2.042 20 30 FEEDRO N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000419603264 559449462 /nfs/dbraw/zinc/44/94/62/559449462.db2.gz BAZYHEFALVMHJC-IEBWSBKVSA-N 1 0 356.470 2.082 20 30 FEEDRO C=C(C)[C@H](NC(=O)C(=O)N1CCC[C@H](CC[NH3+])C1)c1ccc(F)c(F)c1 ZINC000419669416 559452821 /nfs/dbraw/zinc/45/28/21/559452821.db2.gz BFGACCFUZDCRIU-DYVFJYSZSA-N 1 0 365.424 2.286 20 30 FEEDRO C=C(C)[C@@H](NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(F)c(F)c1 ZINC000419683493 559453883 /nfs/dbraw/zinc/45/38/83/559453883.db2.gz VFTDGKGVCAHNBP-JKIFEVAISA-N 1 0 363.408 2.051 20 30 FEEDRO C=CC[C@@H]1N(C(=O)C(=O)NCCC[NH2+]Cc2cccnc2)CCCC1(C)C ZINC000419853142 559462334 /nfs/dbraw/zinc/46/23/34/559462334.db2.gz SAZPZAZTXWIUIL-SFHVURJKSA-N 1 0 372.513 2.271 20 30 FEEDRO CC(C)N(Cc1ccc(C#N)cc1)C(=O)C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000419916186 559464304 /nfs/dbraw/zinc/46/43/04/559464304.db2.gz DRLOCBPEAZBIHM-IBGZPJMESA-N 1 0 364.449 2.111 20 30 FEEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000420098161 559472526 /nfs/dbraw/zinc/47/25/26/559472526.db2.gz ARLWCTOVDRTPBE-NWDGAFQWSA-N 1 0 355.891 2.173 20 30 FEEDRO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCC[C@H](CC(F)(F)F)C2)CC1 ZINC000420943269 559513394 /nfs/dbraw/zinc/51/33/94/559513394.db2.gz ICZXIHTUPAUKNQ-CVEARBPZSA-N 1 0 374.451 2.343 20 30 FEEDRO CNC(=O)[C@@H]1CC[N@@H+]([C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000420969896 559515499 /nfs/dbraw/zinc/51/54/99/559515499.db2.gz FOVVBGBLWDEMRP-IAGOWNOFSA-N 1 0 356.470 2.007 20 30 FEEDRO CC(=O)N[C@@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000420975682 559516117 /nfs/dbraw/zinc/51/61/17/559516117.db2.gz AGUVTNWMARVPPD-CQSZACIVSA-N 1 0 374.510 2.428 20 30 FEEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)N(C)C[C@H]1CCC[N@@H+]1C ZINC000420993746 559518239 /nfs/dbraw/zinc/51/82/39/559518239.db2.gz BAJGJCJKGLHVDT-DLBZAZTESA-N 1 0 358.486 2.356 20 30 FEEDRO CCOC(=O)c1c(NC(=O)N(CC[NH+](C)C)C(C)C)c(C#N)cn1CC ZINC000421179408 559529259 /nfs/dbraw/zinc/52/92/59/559529259.db2.gz ZZWIHZSUIBMJHR-UHFFFAOYSA-N 1 0 363.462 2.360 20 30 FEEDRO C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000421543604 559544894 /nfs/dbraw/zinc/54/48/94/559544894.db2.gz FECLANZLIBRKJM-PKOBYXMFSA-N 1 0 357.498 2.281 20 30 FEEDRO Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N(C)C[C@@H]3CCC[N@@H+]3C)C2)n1 ZINC000421715135 559550695 /nfs/dbraw/zinc/55/06/95/559550695.db2.gz XBQXIASXWNAOMY-ROUUACIJSA-N 1 0 355.486 2.031 20 30 FEEDRO C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)NC[C@@H]1CCCC[N@H+]1CC ZINC000422310111 559577666 /nfs/dbraw/zinc/57/76/66/559577666.db2.gz VMGRELVLBMNRKN-MOPGFXCFSA-N 1 0 357.498 2.281 20 30 FEEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000422486441 559591372 /nfs/dbraw/zinc/59/13/72/559591372.db2.gz GUTRZZYEUCYHFV-GOSISDBHSA-N 1 0 370.497 2.145 20 30 FEEDRO C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000422533427 559593356 /nfs/dbraw/zinc/59/33/56/559593356.db2.gz XHHCEIGMUZFZAF-BHIYHBOVSA-N 1 0 357.498 2.089 20 30 FEEDRO C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000422544946 559594045 /nfs/dbraw/zinc/59/40/45/559594045.db2.gz REIZGGCPWOXOGD-WOJBJXKFSA-N 1 0 369.509 2.377 20 30 FEEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000423020441 559615352 /nfs/dbraw/zinc/61/53/52/559615352.db2.gz BLUVXDJTVLWECQ-OLZOCXBDSA-N 1 0 369.918 2.359 20 30 FEEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000423569595 559632464 /nfs/dbraw/zinc/63/24/64/559632464.db2.gz SKTRMDRSBKFZDR-CQSZACIVSA-N 1 0 372.494 2.374 20 30 FEEDRO C[C@H](CNC(=O)[C@H]([NH3+])CCCC#N)Oc1ccccc1Br ZINC000424135673 559655758 /nfs/dbraw/zinc/65/57/58/559655758.db2.gz ZQNZVMJYSDJUKK-DGCLKSJQSA-N 1 0 354.248 2.354 20 30 FEEDRO N#CCCC[C@@H]([NH3+])C(=O)Nc1ccc(N2CCOCC2)c2ccncc12 ZINC000424131445 559655682 /nfs/dbraw/zinc/65/56/82/559655682.db2.gz GPOREMZDCBPSBH-MRXNPFEDSA-N 1 0 353.426 2.031 20 30 FEEDRO CN1CC[C@H](NC(=O)[C@H]([NH3+])CCCC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000424178703 559656879 /nfs/dbraw/zinc/65/68/79/559656879.db2.gz XETFZSKUXOLPEK-PMPSAXMXSA-N 1 0 352.841 2.362 20 30 FEEDRO CN1CC[C@H](C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)CC1=O ZINC000424184662 559657092 /nfs/dbraw/zinc/65/70/92/559657092.db2.gz DREASPBIRDMCOC-INIZCTEOSA-N 1 0 351.454 2.422 20 30 FEEDRO C=CCCCS(=O)(=O)Nc1cc(C(=O)NCC[NH+](C)C)ccc1Cl ZINC000424216427 559658253 /nfs/dbraw/zinc/65/82/53/559658253.db2.gz SLKIPVMLELWOOS-UHFFFAOYSA-N 1 0 373.906 2.339 20 30 FEEDRO C=CCC1(C(=O)Nc2ccc(OC[C@H](O)C[NH+](C)C)cc2)CCOCC1 ZINC000424710669 559674378 /nfs/dbraw/zinc/67/43/78/559674378.db2.gz IDEHWQAXXKKDTH-QGZVFWFLSA-N 1 0 362.470 2.299 20 30 FEEDRO C=CCCn1cc(C(=O)N[C@@H](C[NH+]2CCCC2)c2ccc(OC)cc2)nn1 ZINC000424760267 559675843 /nfs/dbraw/zinc/67/58/43/559675843.db2.gz IHRBUXYASCJQNT-SFHVURJKSA-N 1 0 369.469 2.430 20 30 FEEDRO C=CCC1(C(=O)NC[C@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)CCOCC1 ZINC000424759828 559675924 /nfs/dbraw/zinc/67/59/24/559675924.db2.gz WNKSZEUSGVTHJG-RTBURBONSA-N 1 0 358.482 2.111 20 30 FEEDRO C=C(C)C(C)(C)C(=O)Nc1cccc(S(=O)(=O)NCC[NH+](C)C)c1 ZINC000424782939 559676520 /nfs/dbraw/zinc/67/65/20/559676520.db2.gz PISFHUUSGXGKST-UHFFFAOYSA-N 1 0 353.488 2.067 20 30 FEEDRO CC(C)[NH2+]C1CCN(C(=O)C(=O)N(C)[C@@H](C)c2cccc(C#N)c2)CC1 ZINC000425390694 559699733 /nfs/dbraw/zinc/69/97/33/559699733.db2.gz WWKKSMOPUNPZOS-HNNXBMFYSA-N 1 0 356.470 2.067 20 30 FEEDRO C=CCn1cc(CNC(=O)NC[C@H](c2ccc(C)o2)[NH+]2CCCC2)nn1 ZINC000425434111 559702154 /nfs/dbraw/zinc/70/21/54/559702154.db2.gz OGZMBKVRDREEMC-MRXNPFEDSA-N 1 0 358.446 2.002 20 30 FEEDRO C=CCn1cc(CNC(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)nn1 ZINC000425562395 559709924 /nfs/dbraw/zinc/70/99/24/559709924.db2.gz FZVOCEKJUXUTEV-SFHVURJKSA-N 1 0 354.458 2.100 20 30 FEEDRO N#C[C@H]1CC[C@@H](NC(=O)C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)C1 ZINC000425802246 559720342 /nfs/dbraw/zinc/72/03/42/559720342.db2.gz IWVZQUBJJLCRDT-PKOBYXMFSA-N 1 0 368.481 2.462 20 30 FEEDRO C[C@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000425882345 559723930 /nfs/dbraw/zinc/72/39/30/559723930.db2.gz IEJVUTNOHGLALB-OLMNPRSZSA-N 1 0 356.470 2.067 20 30 FEEDRO C=CC[C@@H](C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1)c1ccccc1 ZINC000426996780 559745406 /nfs/dbraw/zinc/74/54/06/559745406.db2.gz DUDPHSHDDFCSMG-LJQANCHMSA-N 1 0 357.498 2.405 20 30 FEEDRO N#Cc1cccc(F)c1CC(=O)Nc1cccc(C[N@H+]2CC[C@H](O)C2)c1 ZINC000428547699 559777780 /nfs/dbraw/zinc/77/77/80/559777780.db2.gz NOQCMOAZZVALAU-KRWDZBQOSA-N 1 0 353.397 2.445 20 30 FEEDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]CC(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000429777428 559805488 /nfs/dbraw/zinc/80/54/88/559805488.db2.gz XVLVYISXCVPCNU-MSOLQXFVSA-N 1 0 356.470 2.054 20 30 FEEDRO C[C@H]1C[N@H+](CCCNc2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)CCCO1 ZINC000432872875 559866750 /nfs/dbraw/zinc/86/67/50/559866750.db2.gz OOCHJKHGIJHIPZ-AWEZNQCLSA-N 1 0 369.425 2.927 20 30 FEEDRO C[C@H]1CCN(C)CCN1S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000433014125 559869873 /nfs/dbraw/zinc/86/98/73/559869873.db2.gz QXNGAORYIYJABP-NSHDSACASA-N 1 0 372.288 2.035 20 30 FEEDRO CCCN(CC[NH+](CC)CC)C(=O)C(=O)N1CCc2ccc(C#N)cc21 ZINC000433641980 559885431 /nfs/dbraw/zinc/88/54/31/559885431.db2.gz KLWKJRAPEIMSDG-UHFFFAOYSA-N 1 0 356.470 2.028 20 30 FEEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)C[C@H]1C ZINC000434807343 559909822 /nfs/dbraw/zinc/90/98/22/559909822.db2.gz DZIFKJAUADNXRI-ZBFHGGJFSA-N 1 0 373.501 2.384 20 30 FEEDRO N#CCCn1cc(C[NH+]2CCC(O)(C(F)F)CC2)c(-c2ccncc2)n1 ZINC000434985217 559913950 /nfs/dbraw/zinc/91/39/50/559913950.db2.gz HCNSLVIWUCEMHO-UHFFFAOYSA-N 1 0 361.396 2.451 20 30 FEEDRO N#Cc1cccc(C2(C(=O)N3CCC[C@H](C[NH+]4CCOCC4)C3)CC2)c1 ZINC000435013387 559914228 /nfs/dbraw/zinc/91/42/28/559914228.db2.gz XMJYLDWZUPLHAJ-GOSISDBHSA-N 1 0 353.466 2.161 20 30 FEEDRO C[NH+](C)CCOc1ccc(CNS(=O)(=O)c2ccc(C#N)s2)cc1 ZINC000435433226 559922929 /nfs/dbraw/zinc/92/29/29/559922929.db2.gz MTINKXIEMOQOHS-UHFFFAOYSA-N 1 0 365.480 2.039 20 30 FEEDRO COc1cc(CNC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)ccc1C#N ZINC000440817184 560018905 /nfs/dbraw/zinc/01/89/05/560018905.db2.gz PBLSLGFZTUTCDZ-OAQYLSRUSA-N 1 0 351.450 2.293 20 30 FEEDRO C=CCN(CC=C)C(=O)[C@H](C)N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000441074016 560022860 /nfs/dbraw/zinc/02/28/60/560022860.db2.gz YZNKWVRSCUQJGC-IBGZPJMESA-N 1 0 362.562 2.066 20 30 FEEDRO COc1ccc([C@H](C[NH2+][C@@H]2CC[C@@H](C#N)C2)N2CCOCC2)cc1OC ZINC000442658756 560054481 /nfs/dbraw/zinc/05/44/81/560054481.db2.gz XFCRMNGGLNBCLK-NXHRZFHOSA-N 1 0 359.470 2.359 20 30 FEEDRO CC(C)[C@@H](CC(F)(F)F)[NH2+]CC(=O)N1CCN([C@H](C#N)C(C)C)CC1 ZINC000445904202 560136584 /nfs/dbraw/zinc/13/65/84/560136584.db2.gz OQMVFGYJTPRWBE-HUUCEWRRSA-N 1 0 362.440 2.245 20 30 FEEDRO N#Cc1cc(F)c(C(=O)NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c(F)c1 ZINC000446254751 560142834 /nfs/dbraw/zinc/14/28/34/560142834.db2.gz ZOXABUZGYBDHJG-HXUWFJFHSA-N 1 0 371.387 2.203 20 30 FEEDRO C[NH+](C)C(C)(C)CNC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 ZINC000448583594 560191374 /nfs/dbraw/zinc/19/13/74/560191374.db2.gz UVFDIGMQONEYDJ-CYBMUJFWSA-N 1 0 362.861 2.021 20 30 FEEDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)COc1cccc(Br)c1C#N ZINC000449171880 560219011 /nfs/dbraw/zinc/21/90/11/560219011.db2.gz BDKRRINNJDRJPJ-GFCCVEGCSA-N 1 0 366.259 2.300 20 30 FEEDRO CCOC(=O)[C@H]1C[N@H+](Cc2cccc(OCCCC#N)c2)CC12COC2 ZINC000449367536 560227669 /nfs/dbraw/zinc/22/76/69/560227669.db2.gz WYDHJTSHDMZOKP-GOSISDBHSA-N 1 0 358.438 2.381 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1ccc(O[C@@H](C)C(=O)N(C)C)c(OCC)c1 ZINC000449520768 560232751 /nfs/dbraw/zinc/23/27/51/560232751.db2.gz QBNHJJMCXQKZGO-UAGQMJEPSA-N 1 0 362.470 2.374 20 30 FEEDRO C[NH+](C)CCCCNC(=O)COc1ccc(C#N)c(Br)c1 ZINC000449878527 560243764 /nfs/dbraw/zinc/24/37/64/560243764.db2.gz BHMFFRKUBPIMBH-UHFFFAOYSA-N 1 0 354.248 2.158 20 30 FEEDRO CCc1cc(N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc[nH+]1 ZINC000450225423 560254534 /nfs/dbraw/zinc/25/45/34/560254534.db2.gz BBVNXQCEQLTXOG-UHFFFAOYSA-N 1 0 356.451 2.027 20 30 FEEDRO C[NH+](C)CCN(C(=O)COc1ccc(C#N)c(Br)c1)C1CC1 ZINC000450719492 560271400 /nfs/dbraw/zinc/27/14/00/560271400.db2.gz WCASRYAJPZZFHX-UHFFFAOYSA-N 1 0 366.259 2.252 20 30 FEEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)c1 ZINC000450856481 560275821 /nfs/dbraw/zinc/27/58/21/560275821.db2.gz ITVUTTZDZNRCFC-KURKYZTESA-N 1 0 360.479 2.269 20 30 FEEDRO C[C@H]1CCC[C@H](C)[NH+]1CCNS(=O)(=O)Cc1ccc(F)cc1C#N ZINC000451177591 560291531 /nfs/dbraw/zinc/29/15/31/560291531.db2.gz WPDMKLPSKJYVDV-KBPBESRZSA-N 1 0 353.463 2.380 20 30 FEEDRO CC[NH+](CC)CCOC1CCN(S(=O)(=O)CC(C)(C)CC#N)CC1 ZINC000451277670 560297769 /nfs/dbraw/zinc/29/77/69/560297769.db2.gz WMGKVCHORAUQAB-UHFFFAOYSA-N 1 0 359.536 2.079 20 30 FEEDRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)CC1(CC#N)CC1 ZINC000451280193 560297849 /nfs/dbraw/zinc/29/78/49/560297849.db2.gz GHRVFQSRBMXUDM-GOSISDBHSA-N 1 0 361.511 2.464 20 30 FEEDRO CC(=O)N1CCC[N@H+](C[C@@H]2CCCN(CC#Cc3ccc(F)cc3)C2)CC1 ZINC000451533867 560312877 /nfs/dbraw/zinc/31/28/77/560312877.db2.gz XBBQMDIEOLDNPP-OAQYLSRUSA-N 1 0 371.500 2.443 20 30 FEEDRO CC(=O)N1CCC[N@H+](C[C@@H]2CCCN(Cc3cc(F)ccc3C#N)C2)CC1 ZINC000451534176 560312960 /nfs/dbraw/zinc/31/29/60/560312960.db2.gz MVZGNLYKVAKLSV-SFHVURJKSA-N 1 0 372.488 2.464 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]CC(=O)N1CCC[C@H]1c1ccc(OC)cc1OC ZINC000451608818 560317362 /nfs/dbraw/zinc/31/73/62/560317362.db2.gz UGJQIEVFKYVBNM-SQNIBIBYSA-N 1 0 360.454 2.300 20 30 FEEDRO C[NH+](C)CC1(NC(=O)COc2ccc(C#N)c(Br)c2)CCC1 ZINC000451637616 560318496 /nfs/dbraw/zinc/31/84/96/560318496.db2.gz XTVDGWAKMCSWGW-UHFFFAOYSA-N 1 0 366.259 2.300 20 30 FEEDRO CSc1nc(C2CC2)cc(C(=O)N[C@@H]2CCC[N@H+](CCCO)C2)c1C#N ZINC000452798151 560374452 /nfs/dbraw/zinc/37/44/52/560374452.db2.gz OAUIDJFZWTVMHQ-CQSZACIVSA-N 1 0 374.510 2.129 20 30 FEEDRO CC(=O)Nc1ccc(C[NH+]2CCC(NC(=O)c3cc(C#N)c[nH]3)CC2)cc1 ZINC000453031893 560381775 /nfs/dbraw/zinc/38/17/75/560381775.db2.gz SRWCABVFUCPGEM-UHFFFAOYSA-N 1 0 365.437 2.239 20 30 FEEDRO C=CCn1c([C@H]2CCCCO2)nnc1N1CC[N@H+](CCOC)[C@H](CC)C1 ZINC000453438651 560386620 /nfs/dbraw/zinc/38/66/20/560386620.db2.gz KQOROEOKUYCHRQ-IAGOWNOFSA-N 1 0 363.506 2.253 20 30 FEEDRO C=C(C)Cn1c([C@@H]2CCCCO2)nnc1N1CC[N@@H+](CCOC)[C@@H](C)C1 ZINC000453460968 560387292 /nfs/dbraw/zinc/38/72/92/560387292.db2.gz FHNYGIPSNKXJHY-IRXDYDNUSA-N 1 0 363.506 2.253 20 30 FEEDRO N#CCc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)c(Cl)c1 ZINC000453573772 560389220 /nfs/dbraw/zinc/38/92/20/560389220.db2.gz HRBIOKAFXPWFQI-HZPDHXFCSA-N 1 0 360.845 2.088 20 30 FEEDRO Cc1cc(C#N)cc(NC(=O)C(=O)NCCC[N@@H+](C)Cc2ccccc2)c1 ZINC000453580629 560389612 /nfs/dbraw/zinc/38/96/12/560389612.db2.gz JZBNKVMRQROIFK-UHFFFAOYSA-N 1 0 364.449 2.444 20 30 FEEDRO CC[NH+](CC)[C@H](CNC(=O)C(=O)Nc1cccc(CC#N)c1)c1ccco1 ZINC000453639294 560392487 /nfs/dbraw/zinc/39/24/87/560392487.db2.gz PDADHUNUAJQESA-QGZVFWFLSA-N 1 0 368.437 2.483 20 30 FEEDRO C[N@H+](CCNC(=O)C(=O)Nc1ccc(CC#N)cc1Cl)C1CCCC1 ZINC000453648236 560393141 /nfs/dbraw/zinc/39/31/41/560393141.db2.gz DQTKNOSWQCJYKQ-UHFFFAOYSA-N 1 0 362.861 2.335 20 30 FEEDRO C[NH+]1CCC(CCNC(=O)C(=O)Nc2ccc(CC#N)cc2Cl)CC1 ZINC000453651636 560393594 /nfs/dbraw/zinc/39/35/94/560393594.db2.gz JOCKDDODFXNCDM-UHFFFAOYSA-N 1 0 362.861 2.193 20 30 FEEDRO N#CCc1cccc(NC(=O)C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)c1 ZINC000453668322 560395029 /nfs/dbraw/zinc/39/50/29/560395029.db2.gz HUPHGLOXWURDKB-SFHVURJKSA-N 1 0 354.454 2.168 20 30 FEEDRO Cc1cc(C#N)cc(NC(=O)C(=O)N[C@H](C)C[N@H+](C)Cc2ccccc2)c1 ZINC000453695152 560397449 /nfs/dbraw/zinc/39/74/49/560397449.db2.gz KRBHXULIJULGQQ-MRXNPFEDSA-N 1 0 364.449 2.442 20 30 FEEDRO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1ccc(CC#N)cc1Cl ZINC000453706828 560398423 /nfs/dbraw/zinc/39/84/23/560398423.db2.gz GHSHYDGFBHGVAX-OCCSQVGLSA-N 1 0 360.845 2.040 20 30 FEEDRO CC(C)Oc1ccc(NC(=O)NC[C@H]2CCCC[N@@H+]2CCO)cc1C#N ZINC000455005079 560466944 /nfs/dbraw/zinc/46/69/44/560466944.db2.gz VULYPCBWQNPJQH-QGZVFWFLSA-N 1 0 360.458 2.314 20 30 FEEDRO N#Cc1ncc(NC(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cc1Cl ZINC000455778895 560494619 /nfs/dbraw/zinc/49/46/19/560494619.db2.gz HDOCRRMGSUBXQQ-HZPDHXFCSA-N 1 0 363.849 2.106 20 30 FEEDRO C=CCC[C@H](CO)NC(=O)NC[C@H](c1ccccc1OC)[NH+]1CCCC1 ZINC000457489242 560570080 /nfs/dbraw/zinc/57/00/80/560570080.db2.gz SNKLGKMCKKBJGA-SJLPKXTDSA-N 1 0 361.486 2.458 20 30 FEEDRO C=CCC[C@@H](CO)NC(=O)NC[C@@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC000457488157 560570166 /nfs/dbraw/zinc/57/01/66/560570166.db2.gz QGFGAUPIEUREGJ-HKUYNNGSSA-N 1 0 361.486 2.458 20 30 FEEDRO C=CCC[C@H](CO)NC(=O)NC[C@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC000457488158 560570200 /nfs/dbraw/zinc/57/02/00/560570200.db2.gz QGFGAUPIEUREGJ-IEBWSBKVSA-N 1 0 361.486 2.458 20 30 FEEDRO C=C(C)Cn1c(CC(C)C)nnc1N1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000460555992 560746205 /nfs/dbraw/zinc/74/62/05/560746205.db2.gz GTDJXLKNGFNRON-SFHVURJKSA-N 1 0 360.550 2.269 20 30 FEEDRO Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)[C@H](C)[NH+]1[C@H](C)CC[C@H]1C ZINC000461852230 560785401 /nfs/dbraw/zinc/78/54/01/560785401.db2.gz JSVNYFFJQBNLQU-KFWWJZLASA-N 1 0 352.442 2.647 20 30 FEEDRO CC[NH+]1CCN(Cc2ccc(CNC(=O)N[C@@H]3CCC[C@H]3C#N)cc2)CC1 ZINC000461943026 560789014 /nfs/dbraw/zinc/78/90/14/560789014.db2.gz VNDIKJHULVAGLX-VQTJNVASSA-N 1 0 369.513 2.316 20 30 FEEDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc(C#N)cc2OC)C[C@H]1C ZINC000464420366 560841251 /nfs/dbraw/zinc/84/12/51/560841251.db2.gz PTEPWNAPEQHZRI-UKRRQHHQSA-N 1 0 351.472 2.060 20 30 FEEDRO CC#CCCCC(=O)N1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000464646457 560847512 /nfs/dbraw/zinc/84/75/12/560847512.db2.gz HAWAIDPGJOOMQI-UHFFFAOYSA-N 1 0 361.530 2.411 20 30 FEEDRO Cc1ccc(NC(=O)C2(C#N)CCOCC2)cc1NC(=O)CC[NH+](C)C ZINC000466247970 560882755 /nfs/dbraw/zinc/88/27/55/560882755.db2.gz MEUYSDIZWSYRBW-UHFFFAOYSA-N 1 0 358.442 2.144 20 30 FEEDRO CCOC(=O)[C@](C)(C[NH2+][C@H](C)C(=O)NC1(C#N)CCC1)c1ccccc1 ZINC000469276876 560951537 /nfs/dbraw/zinc/95/15/37/560951537.db2.gz WOGICVRWUGSGCW-DNVCBOLYSA-N 1 0 357.454 2.048 20 30 FEEDRO CC[NH+]1CCN(CC(=O)N[C@@H](C#N)c2c(Cl)cccc2Cl)CC1 ZINC000469350778 560953080 /nfs/dbraw/zinc/95/30/80/560953080.db2.gz MALGPSPPWQEREG-AWEZNQCLSA-N 1 0 355.269 2.312 20 30 FEEDRO CCN(C[C@H]1CC[N@@H+]([C@@H](C)C(=O)NC2(C#N)CCC2)C1)CC(F)(F)F ZINC000469720586 560962819 /nfs/dbraw/zinc/96/28/19/560962819.db2.gz IVZJCQGTWMJEEK-UONOGXRCSA-N 1 0 360.424 2.143 20 30 FEEDRO CCN(C[C@H]1CC[N@H+](CC(=O)N(CC)C[C@H](C)C#N)C1)CC(F)(F)F ZINC000470367730 560979647 /nfs/dbraw/zinc/97/96/47/560979647.db2.gz SGQSDCYZBVCPDX-HUUCEWRRSA-N 1 0 362.440 2.201 20 30 FEEDRO C=CCC[C@H](O)C[NH+]1CCN([C@H](C(=O)OC)c2ccc(Cl)cc2)CC1 ZINC000472752760 561034431 /nfs/dbraw/zinc/03/44/31/561034431.db2.gz OTCSPUXGZNNLRF-ROUUACIJSA-N 1 0 366.889 2.499 20 30 FEEDRO C[C@H](NC(=O)NC(C)(C)CC[NH+]1CCN(C)CC1)c1ccc(C#N)cc1 ZINC000473660228 561055337 /nfs/dbraw/zinc/05/53/37/561055337.db2.gz MIZVTOVUTTVGDL-INIZCTEOSA-N 1 0 357.502 2.335 20 30 FEEDRO Cn1ncc(C(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)c1C#N ZINC000476366668 561117756 /nfs/dbraw/zinc/11/77/56/561117756.db2.gz QEEYSQJEIVLUSI-UHFFFAOYSA-N 1 0 353.426 2.409 20 30 FEEDRO COCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](CCCOc2cccc(C#N)c2)C1 ZINC000477139690 561137635 /nfs/dbraw/zinc/13/76/35/561137635.db2.gz QHUKYDIADKLOJM-AEFFLSMTSA-N 1 0 359.470 2.190 20 30 FEEDRO C=CCn1c(-c2ccccn2)nnc1N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000528298648 562321593 /nfs/dbraw/zinc/32/15/93/562321593.db2.gz RYVLVJWMGMZEOX-UHFFFAOYSA-N 1 0 368.485 2.217 20 30 FEEDRO O=C1c2ccccc2C(=O)N1CC#CC[NH+]1CCC(O)(c2ccccc2)CC1 ZINC000528449143 562329800 /nfs/dbraw/zinc/32/98/00/562329800.db2.gz GSNYNMQWYGZIRK-UHFFFAOYSA-N 1 0 374.440 2.270 20 30 FEEDRO O=C1c2ccccc2C(=O)N1CC#CC[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000528479157 562331444 /nfs/dbraw/zinc/33/14/44/562331444.db2.gz VQBPOWASPYEBLW-QRVBRYPASA-N 1 0 364.445 2.223 20 30 FEEDRO C[NH+](C)C1CCN(c2ccc(NC(=O)Cc3ccc(C#N)nc3)nc2)CC1 ZINC000528840817 562349961 /nfs/dbraw/zinc/34/99/61/562349961.db2.gz NTCQEDBQZBVLCV-UHFFFAOYSA-N 1 0 364.453 2.060 20 30 FEEDRO COc1cc(C#N)ccc1NC(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000529061868 562358491 /nfs/dbraw/zinc/35/84/91/562358491.db2.gz CZOBYNSNZGFBQD-UHFFFAOYSA-N 1 0 358.442 2.285 20 30 FEEDRO N#Cc1ccc(CC(=O)NCCN2CCc3c(Cl)cccc3C2)cn1 ZINC000529129081 562361685 /nfs/dbraw/zinc/36/16/85/562361685.db2.gz KIXIKJIURCGBJJ-UHFFFAOYSA-N 1 0 354.841 2.324 20 30 FEEDRO COCc1ccc(NC(=O)NCC2([NH+]3CCCC3)CCOCC2)cc1C#N ZINC000529215005 562365283 /nfs/dbraw/zinc/36/52/83/562365283.db2.gz XPSIJAGZRYCKIP-UHFFFAOYSA-N 1 0 372.469 2.471 20 30 FEEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000530026627 562395023 /nfs/dbraw/zinc/39/50/23/562395023.db2.gz MMHQIQMPCRNAQG-INIZCTEOSA-N 1 0 356.470 2.341 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)c(F)c1 ZINC000530532991 562414908 /nfs/dbraw/zinc/41/49/08/562414908.db2.gz TYWPTKBCQBSDLT-QGZVFWFLSA-N 1 0 373.453 2.498 20 30 FEEDRO CC1CC(C#N)(C(=O)N2CCC(CC(=O)N3CCC([NH+](C)C)CC3)CC2)C1 ZINC000532079512 562466527 /nfs/dbraw/zinc/46/65/27/562466527.db2.gz RTZYILFAOIZPLV-UHFFFAOYSA-N 1 0 374.529 2.108 20 30 FEEDRO COc1ccc(C(=O)NC2(C#N)CC[NH+](C)CC2)cc1-c1ccccn1 ZINC000533647268 562515349 /nfs/dbraw/zinc/51/53/49/562515349.db2.gz CNHQSQKQRYSYIR-UHFFFAOYSA-N 1 0 350.422 2.475 20 30 FEEDRO COC(=O)c1cccc(CN2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c1C#N ZINC000533762844 562517679 /nfs/dbraw/zinc/51/76/79/562517679.db2.gz ZWXIWCAJDSAGPG-AYOQOUSVSA-N 1 0 357.454 2.028 20 30 FEEDRO Cc1ccc(C#N)cc1S(=O)(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000533813444 562518914 /nfs/dbraw/zinc/51/89/14/562518914.db2.gz KZCMFXZEWSKMFU-SFHVURJKSA-N 1 0 357.479 2.318 20 30 FEEDRO N#Cc1ccc(OC[C@H](O)C[NH+]2CCC(Nc3ccccn3)CC2)cc1 ZINC000534861741 562543989 /nfs/dbraw/zinc/54/39/89/562543989.db2.gz VPYVYGNFGOCEFD-GOSISDBHSA-N 1 0 352.438 2.269 20 30 FEEDRO CS[C@@H]1CN([C@H](C)C(=O)N(CCC#N)c2ccccc2)C[C@H]1[NH+](C)C ZINC000534951999 562546120 /nfs/dbraw/zinc/54/61/20/562546120.db2.gz QTVDMQLQPDPMQK-KBAYOESNSA-N 1 0 360.527 2.299 20 30 FEEDRO N#Cc1ccc(F)c(CS(=O)(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)c1 ZINC000535042654 562549239 /nfs/dbraw/zinc/54/92/39/562549239.db2.gz MDHJRCKSYUHTLM-MRXNPFEDSA-N 1 0 351.447 2.087 20 30 FEEDRO N#Cc1ccc(CNC(=O)C[N@H+](C[C@@H]2CCCO2)[C@H]2CCSC2)cc1 ZINC000535552104 562561077 /nfs/dbraw/zinc/56/10/77/562561077.db2.gz RNQCNQKDKMIHJO-ROUUACIJSA-N 1 0 359.495 2.161 20 30 FEEDRO N#Cc1cccc(-c2nnc(C[N@H+]3CCCC[C@H]3[C@H]3CNC(=O)C3)o2)c1 ZINC000535727755 562565686 /nfs/dbraw/zinc/56/56/86/562565686.db2.gz MXIQIPWRMLIFMP-CVEARBPZSA-N 1 0 351.410 2.099 20 30 FEEDRO C=C(C)[C@H](CC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)OCC ZINC000536432998 562575385 /nfs/dbraw/zinc/57/53/85/562575385.db2.gz INKUTMFCYZGLBU-AABGKKOBSA-N 1 0 360.498 2.357 20 30 FEEDRO CC[N@H+](CCc1cccs1)CC(=O)N1CCN([C@H](C#N)C(C)C)CC1 ZINC000537039472 562584455 /nfs/dbraw/zinc/58/44/55/562584455.db2.gz WLFDZRXYRTUCKC-GOSISDBHSA-N 1 0 362.543 2.305 20 30 FEEDRO COc1cc(C#N)ccc1NC(=O)C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000546005239 562632639 /nfs/dbraw/zinc/63/26/39/562632639.db2.gz HHGFZCRCBUGUIX-AWEZNQCLSA-N 1 0 372.469 2.132 20 30 FEEDRO COc1cc([C@@H](C#N)NC(=O)C[N@H+](C)CC(C)(C)C)cc(OC)c1OC ZINC000602089966 567923922 /nfs/dbraw/zinc/92/39/22/567923922.db2.gz ZXUMVDFXOQUCHY-CQSZACIVSA-N 1 0 363.458 2.371 20 30 FEEDRO C[NH+](C)CCn1c2cc(C(=O)N3CCCC(C)(C)[C@@H]3C#N)ccc2[nH]c1=O ZINC000602141759 567935544 /nfs/dbraw/zinc/93/55/44/567935544.db2.gz NTHIPBIEQRISQL-KRWDZBQOSA-N 1 0 369.469 2.458 20 30 FEEDRO C[C@H]([NH2+]C(C)(C)CNC(=O)N1CCN(CCC#N)CC1)c1ccccc1 ZINC000602253181 567959954 /nfs/dbraw/zinc/95/99/54/567959954.db2.gz DIRHWVKVPGHZFT-KRWDZBQOSA-N 1 0 357.502 2.357 20 30 FEEDRO C[C@@H]([NH2+]C(C)(C)CNC(=O)N1CCN(CCC#N)CC1)c1ccccc1 ZINC000602253183 567959959 /nfs/dbraw/zinc/95/99/59/567959959.db2.gz DIRHWVKVPGHZFT-QGZVFWFLSA-N 1 0 357.502 2.357 20 30 FEEDRO N#CCCN1CCN(C(=O)N[C@H](C[NH+]2CCCCC2)c2ccccc2)CC1 ZINC000602255285 567960237 /nfs/dbraw/zinc/96/02/37/567960237.db2.gz VCHPSJSUTLJXNF-HXUWFJFHSA-N 1 0 369.513 2.454 20 30 FEEDRO CCC1([NH+]2CCCC2)CCN(C(=O)C(=O)NCC2(C#N)CCCCC2)CC1 ZINC000602295104 567964388 /nfs/dbraw/zinc/96/43/88/567964388.db2.gz ZUJHHSUWTJQZDN-UHFFFAOYSA-N 1 0 374.529 2.444 20 30 FEEDRO N#CCCCC[C@@H]([NH3+])C(=O)N[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC000602525261 567987748 /nfs/dbraw/zinc/98/77/48/567987748.db2.gz JFTNWDBZTXYXKJ-UMVBOHGHSA-N 1 0 355.360 2.448 20 30 FEEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccc(C(=O)N2CCOCC2)cc1 ZINC000602509505 567989116 /nfs/dbraw/zinc/98/91/16/567989116.db2.gz YYRJBQROQWIYCY-QGZVFWFLSA-N 1 0 371.481 2.348 20 30 FEEDRO C[C@@H]1C[N@@H+](C[C@H](O)COc2ccccc2C(F)(F)F)C[C@H](C)N1CC#N ZINC000602856038 568002345 /nfs/dbraw/zinc/00/23/45/568002345.db2.gz YCPUHPBNCZRCGQ-ZNMIVQPWSA-N 1 0 371.403 2.363 20 30 FEEDRO C[C@@H]1C[N@@H+](CCC(=O)N[C@@H]2CCCc3ccccc32)C[C@H](C)N1CC#N ZINC000602858775 568003012 /nfs/dbraw/zinc/00/30/12/568003012.db2.gz VDXPJJUGBYWSDU-FUHIMQAGSA-N 1 0 354.498 2.488 20 30 FEEDRO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CC[C@@H](c2ccc3cccnc3n2)C1 ZINC000602890251 568006918 /nfs/dbraw/zinc/00/69/18/568006918.db2.gz ZJZRIWXAJDCRPC-NVXWUHKLSA-N 1 0 351.454 2.427 20 30 FEEDRO N#Cc1ccc(OCC[NH2+]C[C@@H](O)COc2cccc3[nH]ccc32)cc1 ZINC000568383942 568035714 /nfs/dbraw/zinc/03/57/14/568035714.db2.gz PHOMORDLXUKKED-MRXNPFEDSA-N 1 0 351.406 2.448 20 30 FEEDRO N#Cc1ccc(C[C@H](C#N)C(=O)N2CCCN(c3cc[nH+]cc3)CC2)cc1 ZINC000603083947 568058918 /nfs/dbraw/zinc/05/89/18/568058918.db2.gz PWODWHYVQWFDLM-LJQANCHMSA-N 1 0 359.433 2.374 20 30 FEEDRO C[C@@H](C(=O)N(CCC#N)c1ccccc1)n1cc([C@@H]2CCC[NH2+]C2)nn1 ZINC000603172026 568071104 /nfs/dbraw/zinc/07/11/04/568071104.db2.gz BYJGOJFMUQIQPA-JKSUJKDBSA-N 1 0 352.442 2.253 20 30 FEEDRO Cc1cccc(N(CCC#N)C(=O)Cn2cc([C@@H]3CCC[NH2+]C3)nn2)c1C ZINC000603206705 568073565 /nfs/dbraw/zinc/07/35/65/568073565.db2.gz MRGKHYZJGBBDTN-QGZVFWFLSA-N 1 0 366.469 2.309 20 30 FEEDRO Cc1ccccc1O[C@H](C)C[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000568621230 568099819 /nfs/dbraw/zinc/09/98/19/568099819.db2.gz UMKGCUDMMZTAKO-OAHLLOKOSA-N 1 0 359.451 2.093 20 30 FEEDRO N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)N(C2CC2)[C@H]2CC[NH2+]C2)n1 ZINC000568734515 568150451 /nfs/dbraw/zinc/15/04/51/568150451.db2.gz BMRSHWMTQCQIOK-HNNXBMFYSA-N 1 0 370.844 2.756 20 30 FEEDRO Cc1nnc([C@@H]2CC[N@H+](CCC(=O)Nc3sc4c(c3C#N)CCC4)C2)[nH]1 ZINC000568841724 568232254 /nfs/dbraw/zinc/23/22/54/568232254.db2.gz CNDOCZTVBBBBDM-GFCCVEGCSA-N 1 0 370.482 2.353 20 30 FEEDRO N#Cc1ccccc1-c1ccc(CNC(=O)NC[C@H]2C[NH2+]CCO2)cc1 ZINC000568847714 568236069 /nfs/dbraw/zinc/23/60/69/568236069.db2.gz DNVWTSQYGXGFKH-GOSISDBHSA-N 1 0 350.422 2.013 20 30 FEEDRO CN1CC[C@H]([NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000569037146 568277403 /nfs/dbraw/zinc/27/74/03/568277403.db2.gz JCIBYRJQWUSWRH-FHWLQOOXSA-N 1 0 370.403 2.398 20 30 FEEDRO N#Cc1ccncc1N1CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000569394467 568400465 /nfs/dbraw/zinc/40/04/65/568400465.db2.gz YJCICHCZJPECBN-GOSISDBHSA-N 1 0 367.497 2.256 20 30 FEEDRO COCCOc1cccc(C[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)c1 ZINC000569837734 568421031 /nfs/dbraw/zinc/42/10/31/568421031.db2.gz UTFFYQWLTRHRQY-UHFFFAOYSA-N 1 0 374.462 2.147 20 30 FEEDRO CCCOc1nc(C)ccc1C(=O)Nc1n[nH]c(CCC[NH2+]C)c1C#N ZINC000570315116 568467737 /nfs/dbraw/zinc/46/77/37/568467737.db2.gz MMLFEXKDQWASDD-UHFFFAOYSA-N 1 0 356.430 2.178 20 30 FEEDRO CC(C)[N@H+](C)C[C@@H](C)NS(=O)(=O)c1cccc(Br)c1C#N ZINC000570622486 568491615 /nfs/dbraw/zinc/49/16/15/568491615.db2.gz OCHOFBJFFMDPNK-LLVKDONJSA-N 1 0 374.304 2.328 20 30 FEEDRO C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC000819743584 599698138 /nfs/dbraw/zinc/69/81/38/599698138.db2.gz MPSUARAUNCDBFR-GJZGRUSLSA-N 1 0 354.458 2.254 20 30 FEEDRO C=CCC[C@@H]([NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1ccccc1 ZINC000819734491 607390155 /nfs/dbraw/zinc/39/01/55/607390155.db2.gz PEHTUXSUMQUFMU-RHSMWYFYSA-N 1 0 364.457 2.402 20 30 FEEDRO N#Cc1cccc(OC2CC[NH+](Cc3ccnc(-c4nn[nH]n4)c3)CC2)c1 ZINC000826387399 607495838 /nfs/dbraw/zinc/49/58/38/607495838.db2.gz SVNBCVDZPMPGKI-UHFFFAOYSA-N 1 0 361.409 2.177 20 30 FEEDRO CC[NH+](CC)CC(=O)N1CCN(c2cccc(C(F)F)c2C#N)CC1 ZINC000558529920 674501673 /nfs/dbraw/zinc/50/16/73/674501673.db2.gz VANIADLIJCIVSO-UHFFFAOYSA-N 1 0 350.413 2.486 20 30 FEEDRO C#CC[N@H+]1CCC[C@@H]1COC(=O)[C@H](NC(=O)OC(C)(C)C)C(F)(F)F ZINC000810573469 674550902 /nfs/dbraw/zinc/55/09/02/674550902.db2.gz RDMSRXXMCRHBCE-NEPJUHHUSA-N 1 0 364.364 2.083 20 30 FEEDRO C#CC[N@@H+](Cc1cccc(C(=O)OC)c1-c1nn[nH]n1)C1CCCCC1 ZINC000823849893 607920984 /nfs/dbraw/zinc/92/09/84/607920984.db2.gz BQDDDAPPVLVCMN-UHFFFAOYSA-N 1 0 353.426 2.421 20 30 FEEDRO C#CCC[NH+]1CCN(c2ccc(-c3nn[nH]n3)c(C(F)(F)F)c2)CC1 ZINC000823844952 608376784 /nfs/dbraw/zinc/37/67/84/608376784.db2.gz LJEYJHLUUVVFSQ-UHFFFAOYSA-N 1 0 350.348 2.031 20 30 FEEDRO C[C@@H]([NH2+]CCC(=O)Nc1sccc1-c1nn[nH]n1)c1cccc(C#N)c1 ZINC000824584906 608484600 /nfs/dbraw/zinc/48/46/00/608484600.db2.gz JJTKONJVSYGXBE-LLVKDONJSA-N 1 0 367.438 2.479 20 30 FEEDRO C[C@H]1C(N=Nc2ccc(S(N)(=O)=O)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000811628839 674617281 /nfs/dbraw/zinc/61/72/81/674617281.db2.gz NOSXHWSBUMXUHI-AWEZNQCLSA-N 1 0 358.467 2.396 20 30 FEEDRO C[NH+](C)CCCNC(=S)NN=Cc1ccc(C#N)cc1C(F)(F)F ZINC000811642313 674617963 /nfs/dbraw/zinc/61/79/63/674617963.db2.gz MFWGJCSKSPPNOR-UHFFFAOYSA-N 1 0 357.405 2.327 20 30 FEEDRO Cc1ncc(S(=O)(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)cc1C#N ZINC000813658610 674765954 /nfs/dbraw/zinc/76/59/54/674765954.db2.gz GUDDVRQEYUKGGN-UHFFFAOYSA-N 1 0 358.467 2.144 20 30 FEEDRO COc1ccc(NC(=S)NN=C2CC[NH+](CC(C)(C)O)CC2)cc1 ZINC000814213719 674826636 /nfs/dbraw/zinc/82/66/36/674826636.db2.gz HINITEQCIPHEDR-UHFFFAOYSA-N 1 0 350.488 2.204 20 30 FEEDRO CC(=NOCC1CC1)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000814244079 674828303 /nfs/dbraw/zinc/82/83/03/674828303.db2.gz ZFGXSZHAHVBIIP-UHFFFAOYSA-N 1 0 353.488 2.067 20 30 FEEDRO N#Cc1ccc(N2CCC[C@H](N3CCO[C@]4(CCSC4)C3)C2=O)cc1 ZINC000563067753 674843237 /nfs/dbraw/zinc/84/32/37/674843237.db2.gz IXURAMRCWYAIOZ-PKOBYXMFSA-N 1 0 357.479 2.262 20 30 FEEDRO C[C@H]([NH3+])[C@@H]1CCCCN1S(=O)(=O)c1cccc(Br)c1C#N ZINC000563118332 674848353 /nfs/dbraw/zinc/84/83/53/674848353.db2.gz BQCTUINBKICZID-GWCFXTLKSA-N 1 0 372.288 2.211 20 30 FEEDRO C[C@@H]([NH3+])[C@H]1CCCCN1S(=O)(=O)c1cccc(Br)c1C#N ZINC000563118335 674848445 /nfs/dbraw/zinc/84/84/45/674848445.db2.gz BQCTUINBKICZID-ZWNOBZJWSA-N 1 0 372.288 2.211 20 30 FEEDRO CC(N=Nc1ccc(S(=O)(=O)NC(C)(C)C)cn1)C1CC[NH+](C)CC1 ZINC000814800009 674880616 /nfs/dbraw/zinc/88/06/16/674880616.db2.gz VQYRWCXPBQPLEF-UHFFFAOYSA-N 1 0 367.519 2.288 20 30 FEEDRO C#CCNC(=O)CC[NH2+][C@H](CNC(=O)OC(C)(C)C)C1CCCCC1 ZINC000815083998 674914544 /nfs/dbraw/zinc/91/45/44/674914544.db2.gz MJQNOSLQASXUPD-MRXNPFEDSA-N 1 0 351.491 2.189 20 30 FEEDRO C[NH+](C)CCCCC(=O)N1CSC[C@H]1C(=O)Nc1ccc(C#N)cc1 ZINC000563788509 674939015 /nfs/dbraw/zinc/93/90/15/674939015.db2.gz NRHRSIFEDZZNFQ-INIZCTEOSA-N 1 0 360.483 2.130 20 30 FEEDRO C=CCC(F)(F)C(=O)N1CCC(C(=O)NCCC[NH+](CC)CC)CC1 ZINC000815593443 674960834 /nfs/dbraw/zinc/96/08/34/674960834.db2.gz MDMYLMHBEHMEMD-UHFFFAOYSA-N 1 0 359.461 2.285 20 30 FEEDRO C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1c(CC)ccc(Cl)c1CC ZINC000815859823 674978799 /nfs/dbraw/zinc/97/87/99/674978799.db2.gz NWCBEYKPLSJWIJ-UHFFFAOYSA-N 1 0 363.889 2.475 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H](CC)OC ZINC001048564470 675010486 /nfs/dbraw/zinc/01/04/86/675010486.db2.gz OUPPOYABOWBENA-VUQDICHWSA-N 1 0 350.503 2.362 20 30 FEEDRO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)CCN1c1nc(Cl)c(C#N)s1 ZINC001048587163 675011360 /nfs/dbraw/zinc/01/13/60/675011360.db2.gz KBEIVBYIBIWRRA-TUAOUCFPSA-N 1 0 367.906 2.236 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3cc(C)ns3)C[C@@H]2C1 ZINC001048827226 675015910 /nfs/dbraw/zinc/01/59/10/675015910.db2.gz XTZIAAWNSSZEMH-ATLSCFEFSA-N 1 0 361.511 2.323 20 30 FEEDRO C[NH+]1CCN(c2ccc(NS(=O)(=O)c3ccc(C#N)cc3)cc2)CC1 ZINC000007109223 669964019 /nfs/dbraw/zinc/96/40/19/669964019.db2.gz VITZGJQPSXUDDK-UHFFFAOYSA-N 1 0 356.451 2.111 20 30 FEEDRO CCNC(=S)C(C(=O)c1ccc(F)c(F)c1)[n+]1cccc(CO)c1 ZINC000022686410 670042867 /nfs/dbraw/zinc/04/28/67/670042867.db2.gz MNASCYLKKDWBSZ-UHFFFAOYSA-O 1 0 351.398 2.293 20 30 FEEDRO COCCNC(=S)C(C(=O)c1ccccc1)[n+]1ccc(N(C)C)cc1 ZINC000022792310 670043796 /nfs/dbraw/zinc/04/37/96/670043796.db2.gz ZJBGYDQVDDYJJQ-UHFFFAOYSA-O 1 0 358.487 2.215 20 30 FEEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+][C@H](CO)CC2CCCCC2)c1 ZINC000564977792 675084198 /nfs/dbraw/zinc/08/41/98/675084198.db2.gz ZLSFFBKFRSQUNB-KRWDZBQOSA-N 1 0 350.484 2.253 20 30 FEEDRO C=C(Br)CNC(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000069117052 670480706 /nfs/dbraw/zinc/48/07/06/670480706.db2.gz AZTZVAYSTBRENT-UHFFFAOYSA-N 1 0 356.264 2.335 20 30 FEEDRO O=S1(=O)CC[C@H](CNC(NC2CCCC2)=[NH+]CC2CCCCC2)C1 ZINC000073459612 670502725 /nfs/dbraw/zinc/50/27/25/670502725.db2.gz ABOZRIWJFOCVQO-MRXNPFEDSA-N 1 0 355.548 2.479 20 30 FEEDRO O=S1(=O)CC[C@@H](CNC(NCc2ccc(F)cc2)=[NH+]C2CCCC2)C1 ZINC000073465732 670502892 /nfs/dbraw/zinc/50/28/92/670502892.db2.gz ZAOFCAYOSNLRHQ-HNNXBMFYSA-N 1 0 367.490 2.238 20 30 FEEDRO C[NH+]=C(NCc1cc(F)ccc1Br)N[C@H]1CCN(C2CC2)C1 ZINC000083093821 670654242 /nfs/dbraw/zinc/65/42/42/670654242.db2.gz QFTQAPFDZUPCRY-ZDUSSCGKSA-N 1 0 369.282 2.490 20 30 FEEDRO CCS(=O)(=O)N(C)C1CC[NH+](Cc2ccc(O[C@@H](C)C#N)cc2)CC1 ZINC000093320980 670751159 /nfs/dbraw/zinc/75/11/59/670751159.db2.gz RZXNPXJJDQIOTO-HNNXBMFYSA-N 1 0 365.499 2.223 20 30 FEEDRO CC(C)CCC[C@H](C)NC(=[NH2+])NC[C@@]1(N2CCOCC2)CCSC1 ZINC000104178600 670791056 /nfs/dbraw/zinc/79/10/56/670791056.db2.gz CHZGWVQXCUJVFM-WMZOPIPTSA-N 1 0 356.580 2.313 20 30 FEEDRO C[C@H](ON=C(N)C[NH+]1CCCCCC1)C(=O)Nc1ccc(F)cc1F ZINC000113250109 670882778 /nfs/dbraw/zinc/88/27/78/670882778.db2.gz ILVLSMIKQGNPJA-LBPRGKRZSA-N 1 0 354.401 2.457 20 30 FEEDRO C#CCOc1ccc(C[NH2+]CCNS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000113329499 670883248 /nfs/dbraw/zinc/88/32/48/670883248.db2.gz NMCPBWUWNZPZFF-UHFFFAOYSA-N 1 0 358.463 2.075 20 30 FEEDRO CN(CCC#N)C[C@@H](O)CNc1ccc2c(c1)N(CC(F)F)CCS2 ZINC000565888045 675158401 /nfs/dbraw/zinc/15/84/01/675158401.db2.gz IJVRQIXTZBJIJF-AWEZNQCLSA-N 1 0 370.469 2.482 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)NC[C@H]2CCC[C@H]([NH3+])C2)cc1Br ZINC000572761764 671042109 /nfs/dbraw/zinc/04/21/09/671042109.db2.gz DUSJPCUYTWYIIO-JQWIXIFHSA-N 1 0 372.288 2.117 20 30 FEEDRO N#Cc1cnn2cc(C[NH2+][C@H]3CCN(c4ncccc4Cl)C3)cnc12 ZINC000572842672 671051250 /nfs/dbraw/zinc/05/12/50/671051250.db2.gz RMUPKRHPHSMZAR-AWEZNQCLSA-N 1 0 353.817 2.018 20 30 FEEDRO C=C(Br)CNC(=O)N1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000817776078 675176457 /nfs/dbraw/zinc/17/64/57/675176457.db2.gz YMMVOUAVGIHZTC-UHFFFAOYSA-N 1 0 373.339 2.097 20 30 FEEDRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CSc2cccc(F)c2C#N)C1 ZINC000574412484 671237534 /nfs/dbraw/zinc/23/75/34/671237534.db2.gz BGSMYTBHTIWMJP-AWEZNQCLSA-N 1 0 365.474 2.262 20 30 FEEDRO CCN1CCC([NH+]2CCC(C(=O)NC3(C#N)CCSCC3)CC2)CC1 ZINC000574461820 671243374 /nfs/dbraw/zinc/24/33/74/671243374.db2.gz AWJKDOAXEBPISU-UHFFFAOYSA-N 1 0 364.559 2.088 20 30 FEEDRO C[NH+](C)Cc1cccc(CNS(=O)(=O)Cc2ccc(CC#N)cc2)c1 ZINC000566162462 675187703 /nfs/dbraw/zinc/18/77/03/675187703.db2.gz UNEQMLMCKRQMNB-UHFFFAOYSA-N 1 0 357.479 2.434 20 30 FEEDRO C=CCNS(=O)(=O)c1ccc(-c2nc([C@H]([NH3+])CC(C)C)no2)cc1 ZINC000566216461 675194766 /nfs/dbraw/zinc/19/47/66/675194766.db2.gz YPZVBHUUANYJSY-CQSZACIVSA-N 1 0 350.444 2.247 20 30 FEEDRO C[C@H](O)C[N@@H+]1CCN(c2cc(Br)c(C#N)cc2F)[C@H](C)C1 ZINC000576621215 671382246 /nfs/dbraw/zinc/38/22/46/671382246.db2.gz YOHKVFBOQGASKW-MNOVXSKESA-N 1 0 356.239 2.351 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+]C[C@H]2CCOc3ccccc32)cc1 ZINC000576749399 671391555 /nfs/dbraw/zinc/39/15/55/671391555.db2.gz PGQQCRXFGCJROL-MRXNPFEDSA-N 1 0 356.447 2.488 20 30 FEEDRO C[C@H]1CN(C(=O)c2ccc(Cl)c(C#N)c2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000579177075 671716905 /nfs/dbraw/zinc/71/69/05/671716905.db2.gz OGXVJWZFCRJJND-KSSFIOAISA-N 1 0 360.889 2.310 20 30 FEEDRO C[C@H]1CN(C(=O)c2ccc(Cl)c(C#N)c2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000579177073 671716934 /nfs/dbraw/zinc/71/69/34/671716934.db2.gz OGXVJWZFCRJJND-KBXCAEBGSA-N 1 0 360.889 2.310 20 30 FEEDRO N#Cc1ccc(CNC(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)s1 ZINC000579460303 671737194 /nfs/dbraw/zinc/73/71/94/671737194.db2.gz WFMNAEVNUNLZPJ-IAGOWNOFSA-N 1 0 362.499 2.187 20 30 FEEDRO CCOC(=O)[C@]1(C(C)C)CC[N@@H+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000581051687 671858834 /nfs/dbraw/zinc/85/88/34/671858834.db2.gz YQCJJXLXHVGYMY-KFKAGJAMSA-N 1 0 351.491 2.341 20 30 FEEDRO CC[C@@H](C)NC(=[NH2+])NCc1ccc(Br)cc1N1CCOCC1 ZINC000119069083 671891577 /nfs/dbraw/zinc/89/15/77/671891577.db2.gz ABECDZWTFDLPFG-GFCCVEGCSA-N 1 0 369.307 2.489 20 30 FEEDRO CCc1nnc(NC(=O)[C@H](C)[C@@H](C)[NH2+]Cc2nc(C#N)cs2)s1 ZINC000581636893 671920138 /nfs/dbraw/zinc/92/01/38/671920138.db2.gz VPPBVKIWJRKNQN-RKDXNWHRSA-N 1 0 350.473 2.182 20 30 FEEDRO N#Cc1c(F)cccc1S(=O)(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000121757895 671956790 /nfs/dbraw/zinc/95/67/90/671956790.db2.gz CIVPJVXMBNQXKD-DYVFJYSZSA-N 1 0 363.458 2.335 20 30 FEEDRO CC(C)C[N@@H+]1CCC[C@H](CNS(=O)(=O)c2cccc(F)c2C#N)C1 ZINC000128713746 672052058 /nfs/dbraw/zinc/05/20/58/672052058.db2.gz RFWUGQOXTBHWAU-CQSZACIVSA-N 1 0 353.463 2.344 20 30 FEEDRO C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H](C)C[N@@H+](C)CCCC)c1 ZINC000583665956 672115096 /nfs/dbraw/zinc/11/50/96/672115096.db2.gz WLEIZOJDTBYVSX-OAHLLOKOSA-N 1 0 367.515 2.001 20 30 FEEDRO C#CCOCCC(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000133825925 672116129 /nfs/dbraw/zinc/11/61/29/672116129.db2.gz DNRIPUFISYLONM-INIZCTEOSA-N 1 0 350.846 2.166 20 30 FEEDRO C[NH+]=C(NCC1(c2ccccc2)CCC1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000158595928 672270958 /nfs/dbraw/zinc/27/09/58/672270958.db2.gz BYINQOFBJCUCTP-UHFFFAOYSA-N 1 0 363.527 2.193 20 30 FEEDRO C[C@@H]1CCCC[C@@H]1[NH+]=C(NCC(=O)N(C)C)NCc1ccc(Cl)cn1 ZINC000185365087 672526731 /nfs/dbraw/zinc/52/67/31/672526731.db2.gz ZEJVCWWLQYDFSY-CJNGLKHVSA-N 1 0 365.909 2.437 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2CCN(c3cc[nH+]cc3)CC2)c(Cl)c1 ZINC000611538507 676043118 /nfs/dbraw/zinc/04/31/18/676043118.db2.gz GAFONHFFSNQRSF-UHFFFAOYSA-N 1 0 362.842 2.118 20 30 FEEDRO CC[C@H]1CN(C(=O)C(=O)Nc2scc(C(C)(C)C)c2C#N)CC[C@@H]1[NH3+] ZINC000591303868 672667479 /nfs/dbraw/zinc/66/74/79/672667479.db2.gz FLNSTIVMZRVKON-FZMZJTMJSA-N 1 0 362.499 2.442 20 30 FEEDRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)CCO1 ZINC000591305244 672667499 /nfs/dbraw/zinc/66/74/99/672667499.db2.gz ODOCMODMLLZWDE-RNCFNFMXSA-N 1 0 358.320 2.037 20 30 FEEDRO CN(CCC#N)C[C@@H](O)C[NH2+][C@H]1CCc2c1cccc2Br ZINC000591733522 672706294 /nfs/dbraw/zinc/70/62/94/672706294.db2.gz BSMWQHBTVKUILW-LRDDRELGSA-N 1 0 352.276 2.232 20 30 FEEDRO N#CCN1CCC([NH2+]C[C@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000591736888 672706700 /nfs/dbraw/zinc/70/67/00/672706700.db2.gz XFXHWXMYDFFPCD-ZDUSSCGKSA-N 1 0 358.269 2.311 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000682035475 672729174 /nfs/dbraw/zinc/72/91/74/672729174.db2.gz ZDSDQYSXUDZERX-INIZCTEOSA-N 1 0 365.543 2.040 20 30 FEEDRO N#CC[C@@]1(O)CC[N@H+](CCC(=O)Nc2ccccc2Br)C1 ZINC000592151866 672764719 /nfs/dbraw/zinc/76/47/19/672764719.db2.gz RHVNZNRRUTYUIW-OAHLLOKOSA-N 1 0 352.232 2.128 20 30 FEEDRO CC[C@@H]1CN(S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)CC[C@H]1[NH3+] ZINC000592382425 672795355 /nfs/dbraw/zinc/79/53/55/672795355.db2.gz MWWBGRAEXHPQDD-QMTHXVAHSA-N 1 0 361.389 2.325 20 30 FEEDRO CC[C@@H]1CN(S(=O)(=O)c2cccc(Br)c2C#N)CC[C@H]1[NH3+] ZINC000592382169 672795410 /nfs/dbraw/zinc/79/54/10/672795410.db2.gz KOQSRLUGCWQQBP-ZWNOBZJWSA-N 1 0 372.288 2.069 20 30 FEEDRO CO[C@H](CC(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1)C(F)(F)F ZINC000593059094 672869538 /nfs/dbraw/zinc/86/95/38/672869538.db2.gz HMCXSPYEKCNRKZ-OAHLLOKOSA-N 1 0 357.376 2.416 20 30 FEEDRO N#Cc1csc(CN2CCO[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]32)n1 ZINC000593066076 672871072 /nfs/dbraw/zinc/87/10/72/672871072.db2.gz BIQVTUDUISJASM-QZTJIDSGSA-N 1 0 354.479 2.490 20 30 FEEDRO COc1c(Br)cc(C=NNC(N)=[NH2+])cc1Br ZINC000254744650 672880445 /nfs/dbraw/zinc/88/04/45/672880445.db2.gz ZFDPFRYTGROTGK-UHFFFAOYSA-N 1 0 350.014 2.037 20 30 FEEDRO C[C@H]1CN(C(=[NH2+])N[C@@H]2COc3cc(F)c(Br)cc32)CCO1 ZINC000261687978 672901296 /nfs/dbraw/zinc/90/12/96/672901296.db2.gz KNNMXGBLYGFEIU-QPUJVOFHSA-N 1 0 358.211 2.057 20 30 FEEDRO C[NH+]=C(NCCS(=O)(=O)c1ccccc1)N1CCS[C@H](C(C)C)C1 ZINC000261703280 672901732 /nfs/dbraw/zinc/90/17/32/672901732.db2.gz GLHSBSJGYUKNQM-INIZCTEOSA-N 1 0 369.556 2.109 20 30 FEEDRO CC[NH+]=C(NCCc1csc(C)n1)N1CC(=O)N(C(C)C)C(C)(C)C1 ZINC000261915572 672904840 /nfs/dbraw/zinc/90/48/40/672904840.db2.gz JVHPEEUKCRENAQ-UHFFFAOYSA-N 1 0 365.547 2.291 20 30 FEEDRO C[NH+]=C(NC[C@@]1(N(C)C)CCSC1)N(C)Cc1cc(Cl)cn1C ZINC000261950230 672905840 /nfs/dbraw/zinc/90/58/40/672905840.db2.gz HEWHVWBILFYJFZ-INIZCTEOSA-N 1 0 357.955 2.123 20 30 FEEDRO CC[NH+]=C(NCc1cccc(Cl)c1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261946997 672906105 /nfs/dbraw/zinc/90/61/05/672906105.db2.gz GEHJOSKHCDBEDG-UHFFFAOYSA-N 1 0 357.907 2.315 20 30 FEEDRO CC[NH+]=C(NCCOc1ncccc1Cl)N1CC[C@@]2(CCOC2)C1 ZINC000261958194 672906183 /nfs/dbraw/zinc/90/61/83/672906183.db2.gz JJAQZNRKKPDFFJ-QGZVFWFLSA-N 1 0 352.866 2.192 20 30 FEEDRO CC[NH+]=C(NCc1ccc(OCC)cc1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261998660 672907501 /nfs/dbraw/zinc/90/75/01/672907501.db2.gz SZPBPPXZQXXBPP-UHFFFAOYSA-N 1 0 367.515 2.060 20 30 FEEDRO C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)N1CCN(c2cccs2)CC1 ZINC000262002162 672907517 /nfs/dbraw/zinc/90/75/17/672907517.db2.gz USGOTCDBINOZTL-UAGQMJEPSA-N 1 0 360.527 2.403 20 30 FEEDRO [NH2+]=C(NC[C@H](c1ccccc1Cl)N1CCOCC1)N1CCSCC1 ZINC000262006532 672907562 /nfs/dbraw/zinc/90/75/62/672907562.db2.gz RSQJFFCTQQVZPJ-MRXNPFEDSA-N 1 0 368.934 2.077 20 30 FEEDRO CC(C)[NH+]=C(NC[C@H]1CCS(=O)(=O)C1)N[C@H](C)c1ccc(F)cc1F ZINC000262424495 672915450 /nfs/dbraw/zinc/91/54/50/672915450.db2.gz RJMSJMLIUOVUBM-CHWSQXEVSA-N 1 0 373.469 2.404 20 30 FEEDRO CN(CCNC(=[NH2+])NC1CCCCCC1)S(=O)(=O)c1ccc(F)cc1 ZINC000262819803 672921638 /nfs/dbraw/zinc/92/16/38/672921638.db2.gz PLWHJEYWWHBDFM-UHFFFAOYSA-N 1 0 370.494 2.073 20 30 FEEDRO CC(C)(C)NC(=[NH2+])NCc1ccccc1S(=O)(=O)N1CCCCC1 ZINC000262950630 672924301 /nfs/dbraw/zinc/92/43/01/672924301.db2.gz BWFJZQRSRUSMPN-UHFFFAOYSA-N 1 0 352.504 2.064 20 30 FEEDRO C[C@@H]1CC[N@H+](CCNC(=O)Cc2ccc(Br)cc2C#N)C1 ZINC000593499470 672930640 /nfs/dbraw/zinc/93/06/40/672930640.db2.gz SNDWROLZKNOHSU-GFCCVEGCSA-N 1 0 350.260 2.321 20 30 FEEDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)Cc1ccc(Br)cc1C#N ZINC000593521712 672932861 /nfs/dbraw/zinc/93/28/61/672932861.db2.gz OPDMEUSXBYHIIS-ZBEGNZNMSA-N 1 0 362.271 2.462 20 30 FEEDRO C=CC[C@@H]1CC[C@H]([NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000593591484 672952861 /nfs/dbraw/zinc/95/28/61/672952861.db2.gz JTRUOARAVZPGKB-KGLIPLIRSA-N 1 0 353.444 2.208 20 30 FEEDRO CC(C)(C#N)c1ccc(S(=O)(=O)N2CCC(OCCC[NH3+])CC2)cc1 ZINC000593732555 672984859 /nfs/dbraw/zinc/98/48/59/672984859.db2.gz OZFCWUNYWQUGEH-UHFFFAOYSA-N 1 0 365.499 2.006 20 30 FEEDRO C#CCCS(=O)(=O)NC1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000288320152 672986250 /nfs/dbraw/zinc/98/62/50/672986250.db2.gz LAAIMWOQIYXNIM-UHFFFAOYSA-N 1 0 370.902 2.126 20 30 FEEDRO CCCCCCNC(=[NH2+])NCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000303904016 673019375 /nfs/dbraw/zinc/01/93/75/673019375.db2.gz YORHJDHJAOALJC-UHFFFAOYSA-N 1 0 366.531 2.456 20 30 FEEDRO C[C@](O)(CNC(=[NH2+])N1CCN(c2ccc(F)cc2)CC1)c1cccs1 ZINC000304797225 673020642 /nfs/dbraw/zinc/02/06/42/673020642.db2.gz NDMXFBSCWIEVMT-SFHVURJKSA-N 1 0 362.474 2.232 20 30 FEEDRO CC(C)NS(=O)(=O)Cc1ccccc1CNC(=[NH2+])N1CCCCCC1 ZINC000305086816 673021242 /nfs/dbraw/zinc/02/12/42/673021242.db2.gz VGATZTRSQJOUQN-UHFFFAOYSA-N 1 0 366.531 2.205 20 30 FEEDRO COc1ccc(NC(=[NH2+])NC2CN(C(=O)OC(C)(C)C)C2)cc1OC ZINC000304815753 673021277 /nfs/dbraw/zinc/02/12/77/673021277.db2.gz VANSFHQNNOZFIK-UHFFFAOYSA-N 1 0 350.419 2.050 20 30 FEEDRO C[NH+](C)C[C@H]1CN(S(=O)(=O)CC2(C#N)CCCC2)c2ccccc2O1 ZINC000612678426 676093236 /nfs/dbraw/zinc/09/32/36/676093236.db2.gz IPESPUICUJUZDH-HNNXBMFYSA-N 1 0 363.483 2.229 20 30 FEEDRO N#Cc1ccc(NC(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c(Cl)c1 ZINC000594327975 673059233 /nfs/dbraw/zinc/05/92/33/673059233.db2.gz YHNDYGZQASKGTG-HZPDHXFCSA-N 1 0 360.845 2.283 20 30 FEEDRO C[C@H](NC(=O)[C@@H]1COCCO1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000328700706 673065228 /nfs/dbraw/zinc/06/52/28/673065228.db2.gz MXGCBCPSKCTSLT-GUYCJALGSA-N 1 0 351.422 2.010 20 30 FEEDRO Cn1c2ccc(C(=O)NC[C@H]3C[N@H+](C)CCN3C)cc2nc1C(F)F ZINC000328835100 673067584 /nfs/dbraw/zinc/06/75/84/673067584.db2.gz SFVBWSSBEDLOJQ-LBPRGKRZSA-N 1 0 351.401 2.061 20 30 FEEDRO CO[C@H]1C[C@@H](C(=O)N[C@@H]2CCN(c3cccc(Cl)c3)C2=O)N(C)C1 ZINC000328941815 673069998 /nfs/dbraw/zinc/06/99/98/673069998.db2.gz FKNRKFJAHQPKSD-ZNMIVQPWSA-N 1 0 351.834 2.121 20 30 FEEDRO COC(=O)c1cc(-c2csc(NC(=O)[C@@H]([NH3+])CCCCC#N)n2)c[nH]1 ZINC000594425955 673070718 /nfs/dbraw/zinc/07/07/18/673070718.db2.gz BSBMZAICXRKXKH-NSHDSACASA-N 1 0 361.427 2.275 20 30 FEEDRO N#CCCCC[C@H]([NH3+])C(=O)N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000594444684 673073015 /nfs/dbraw/zinc/07/30/15/673073015.db2.gz BKQWKZAPSKIZRT-GJZGRUSLSA-N 1 0 366.824 2.112 20 30 FEEDRO N#CCCCC[C@H]([NH3+])C(=O)N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000594444686 673073106 /nfs/dbraw/zinc/07/31/06/673073106.db2.gz BKQWKZAPSKIZRT-LSDHHAIUSA-N 1 0 366.824 2.112 20 30 FEEDRO C[C@H](NC(=O)NCC1([NH+]2CCOCC2)CCCCC1)[C@@H]1CCCCO1 ZINC000329431367 673077012 /nfs/dbraw/zinc/07/70/12/673077012.db2.gz ILQDIOPJBRBAJM-IRXDYDNUSA-N 1 0 353.507 2.483 20 30 FEEDRO CC[NH+]1CCN(c2ccccc2NC(=O)C2CCS(=O)(=O)CC2)CC1 ZINC000329448838 673077728 /nfs/dbraw/zinc/07/77/28/673077728.db2.gz OIIBHZNSIDEGCR-UHFFFAOYSA-N 1 0 365.499 2.241 20 30 FEEDRO C[C@H](CNC(=S)Nc1ccc(C#N)c(Cl)c1)C[NH+]1CCN(C)CC1 ZINC000726481309 673126268 /nfs/dbraw/zinc/12/62/68/673126268.db2.gz RTHFZDOHOVBNSV-CYBMUJFWSA-N 1 0 365.934 2.382 20 30 FEEDRO N#Cc1c(NC(=O)CCN2CCCNC(=O)C2)sc2c1CCCCC2 ZINC000726790977 673139662 /nfs/dbraw/zinc/13/96/62/673139662.db2.gz GLVFVOJSUBWSTG-UHFFFAOYSA-N 1 0 360.483 2.039 20 30 FEEDRO CCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)C1 ZINC000595352719 673230767 /nfs/dbraw/zinc/23/07/67/673230767.db2.gz CBFKDUMBCZPRKZ-GFCCVEGCSA-N 1 0 361.389 2.340 20 30 FEEDRO N#Cc1cc(F)ccc1S(=O)(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000595409194 673245443 /nfs/dbraw/zinc/24/54/43/673245443.db2.gz BBBIAOLJPXZLCZ-CQSZACIVSA-N 1 0 351.447 2.098 20 30 FEEDRO CC(C)[N@H+](C)C[C@@H](O)CN1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000595468261 673255049 /nfs/dbraw/zinc/25/50/49/673255049.db2.gz YFQUHALTLOGHGU-MRXNPFEDSA-N 1 0 350.894 2.035 20 30 FEEDRO CCCN1C(=O)[C@@H](CC(=O)NCC[NH+](C)C)SC1=Nc1ccccc1 ZINC000730141006 673263792 /nfs/dbraw/zinc/26/37/92/673263792.db2.gz ISTBBQKOGCYMHV-OAHLLOKOSA-N 1 0 362.499 2.096 20 30 FEEDRO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCC(F)(F)[C@@H](CO)C1)CCC2 ZINC000463222507 673301477 /nfs/dbraw/zinc/30/14/77/673301477.db2.gz MOMWFNPIWCPSLG-LLVKDONJSA-N 1 0 369.437 2.387 20 30 FEEDRO CCCNC(=S)C(=C(O)C1=CCC(=NC(N)=O)C=C1)[n+]1ccccc1 ZINC000732179328 673356234 /nfs/dbraw/zinc/35/62/34/673356234.db2.gz HHTARPDUEUIBGZ-UHFFFAOYSA-O 1 0 357.459 2.487 20 30 FEEDRO C#CCOc1ccccc1C[NH2+]Cc1ccc(N(C)S(C)(=O)=O)cc1 ZINC000732232404 673359953 /nfs/dbraw/zinc/35/99/53/673359953.db2.gz LYVBIEIGXRNTFU-UHFFFAOYSA-N 1 0 358.463 2.384 20 30 FEEDRO C[NH+]1CCC(N2CC[C@H](NC(=O)c3ccccc3SCC#N)C2)CC1 ZINC000732782321 673381896 /nfs/dbraw/zinc/38/18/96/673381896.db2.gz XEJNLYYLSWFUJR-HNNXBMFYSA-N 1 0 358.511 2.201 20 30 FEEDRO C[N@H+](CCCOc1ccc(C#N)cc1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000732810992 673384194 /nfs/dbraw/zinc/38/41/94/673384194.db2.gz QHPUMEWYDVGVAV-OAHLLOKOSA-N 1 0 355.360 2.422 20 30 FEEDRO C=CCCSCCNC(=O)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000596715360 673406655 /nfs/dbraw/zinc/40/66/55/673406655.db2.gz DWKRNQWBLJJCLW-GOSISDBHSA-N 1 0 363.527 2.014 20 30 FEEDRO C=CCCSCCNC(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000596721261 673407274 /nfs/dbraw/zinc/40/72/74/673407274.db2.gz FPAPZHSFGWKTDS-QGZVFWFLSA-N 1 0 354.564 2.107 20 30 FEEDRO CCC(CC)NN=C(C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000734365002 673461192 /nfs/dbraw/zinc/46/11/92/673461192.db2.gz OZHFAUMCACXRHF-UHFFFAOYSA-N 1 0 368.547 2.419 20 30 FEEDRO C[C@H]1C[NH+](CCCCNC(=O)c2cc(F)c(C#N)c(F)c2)C[C@H](C)O1 ZINC000597361983 673471748 /nfs/dbraw/zinc/47/17/48/673471748.db2.gz VYJGZYKUPDYRSX-STQMWFEESA-N 1 0 351.397 2.456 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCSC[C@@H]1CCO)C(C)C ZINC000539286956 673482147 /nfs/dbraw/zinc/48/21/47/673482147.db2.gz QGHVTGDSBHNPHA-IRXDYDNUSA-N 1 0 355.548 2.194 20 30 FEEDRO CCOCCC[N@@H+]1CCC(=NNC(=S)NCC(F)(F)F)[C@@H](C)C1 ZINC000735229699 673486848 /nfs/dbraw/zinc/48/68/48/673486848.db2.gz OCDXCBWVKZUVTQ-NSHDSACASA-N 1 0 354.442 2.137 20 30 FEEDRO CC(=NNC(=S)NCCC[NH+](C)C)c1c(Cl)nc2ccccn21 ZINC000737431502 673563704 /nfs/dbraw/zinc/56/37/04/673563704.db2.gz KGBXRTVYOYUOOZ-UHFFFAOYSA-N 1 0 352.895 2.128 20 30 FEEDRO CC(C)(C#N)C[C@@H](O)C[NH2+]C[C@@H](O)COc1cccc(C(F)(F)F)c1 ZINC000598699157 673599810 /nfs/dbraw/zinc/59/98/10/673599810.db2.gz BWWAZDPTAXMYLI-ZIAGYGMSSA-N 1 0 360.376 2.335 20 30 FEEDRO CC[C@@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)c1c(C)nn(C)c1C ZINC000543457198 673648773 /nfs/dbraw/zinc/64/87/73/673648773.db2.gz CCVPILCODOCKCF-QGZVFWFLSA-N 1 0 360.483 2.423 20 30 FEEDRO CC(C)(C)OC(=O)[C@@H]1CCC[N@H+](C[C@H](O)CC2(C#N)CCOCC2)C1 ZINC000599359383 673663395 /nfs/dbraw/zinc/66/33/95/673663395.db2.gz ACUVJANXKKGNKL-HZPDHXFCSA-N 1 0 352.475 2.111 20 30 FEEDRO C[C@](O)(C1CC[NH+](C[C@H](O)CC2(C#N)CCOCC2)CC1)C(F)(F)F ZINC000599367000 673664600 /nfs/dbraw/zinc/66/46/00/673664600.db2.gz ZZHGFOPXNJOABE-CABCVRRESA-N 1 0 364.408 2.083 20 30 FEEDRO COC(=O)c1cnc(C2CC[NH+](C[C@H](O)CC(C)(C)C#N)CC2)s1 ZINC000599557099 673691467 /nfs/dbraw/zinc/69/14/67/673691467.db2.gz XDGXNNVSJLCQSQ-CYBMUJFWSA-N 1 0 351.472 2.410 20 30 FEEDRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 ZINC000599605199 673696663 /nfs/dbraw/zinc/69/66/63/673696663.db2.gz VJVDIMMYESXMKG-UONOGXRCSA-N 1 0 358.833 2.659 20 30 FEEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000599897554 673726856 /nfs/dbraw/zinc/72/68/56/673726856.db2.gz ZVISAJGAXPFSEE-RDBSUJKOSA-N 1 0 360.483 2.276 20 30 FEEDRO CC(=NNS(=O)(=O)c1ccccc1)c1cccc(OCC[NH+](C)C)c1 ZINC000743526246 673762845 /nfs/dbraw/zinc/76/28/45/673762845.db2.gz PLNPVKRFZFBVBL-UHFFFAOYSA-N 1 0 361.467 2.330 20 30 FEEDRO N#CC1(C[C@H](O)C[NH2+]CCc2ccc(OC(F)F)cc2)CCOCC1 ZINC000600716230 673793811 /nfs/dbraw/zinc/79/38/11/673793811.db2.gz XOWITYOQKIMMMT-HNNXBMFYSA-N 1 0 354.397 2.491 20 30 FEEDRO N#CC1(C[C@@H](O)C[NH2+]C[C@@H](O)COc2cccc(Cl)c2Cl)CC1 ZINC000600740740 673795925 /nfs/dbraw/zinc/79/59/25/673795925.db2.gz ALPKKKHWGXISQB-VXGBXAGGSA-N 1 0 359.253 2.377 20 30 FEEDRO Cc1cc(F)cc(C#N)c1S(=O)(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000601310795 673841272 /nfs/dbraw/zinc/84/12/72/673841272.db2.gz UITYMSUWTIPGMY-UHFFFAOYSA-N 1 0 351.447 2.159 20 30 FEEDRO N#CCc1ccccc1S(=O)(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000601341864 673845057 /nfs/dbraw/zinc/84/50/57/673845057.db2.gz LDYJTMRLQLQYED-DOTOQJQBSA-N 1 0 359.426 2.007 20 30 FEEDRO CC[N@@H+]1CCC[C@@H]1CNC(=S)NNc1oc(C(C)(C)C)nc1C#N ZINC000746346655 673874011 /nfs/dbraw/zinc/87/40/11/673874011.db2.gz OKMPHGLBROIJOM-LLVKDONJSA-N 1 0 350.492 2.119 20 30 FEEDRO C[NH+]1CCC([C@@H]2CCN(S(=O)(=O)CC3(C#N)CCCCC3)C2)CC1 ZINC000547801827 673889649 /nfs/dbraw/zinc/88/96/49/673889649.db2.gz LGALTKOENCTZCR-QGZVFWFLSA-N 1 0 353.532 2.454 20 30 FEEDRO C[NH+](C)[C@@H](CNc1ccc(C#N)cc1CS(N)(=O)=O)c1ccsc1 ZINC000603271310 673920446 /nfs/dbraw/zinc/92/04/46/673920446.db2.gz MLRJLOXLUXTUFT-INIZCTEOSA-N 1 0 364.496 2.123 20 30 FEEDRO C[C@H]1C[C@H](C)C[NH+](CCCNc2ccc(C#N)cc2CS(N)(=O)=O)C1 ZINC000603283021 673921956 /nfs/dbraw/zinc/92/19/56/673921956.db2.gz GQNXKKURXBFZRT-GJZGRUSLSA-N 1 0 364.515 2.127 20 30 FEEDRO CCN(C[C@@H](C)C#N)S(=O)(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000548832760 673999260 /nfs/dbraw/zinc/99/92/60/673999260.db2.gz NKTPPURFUIYNOK-BBRMVZONSA-N 1 0 372.922 2.259 20 30 FEEDRO C#CC[N@@H+](C)CCCNC(=O)[C@@H]1C[C@@H](C)CCN1C(=O)OC(C)(C)C ZINC000818609392 675228560 /nfs/dbraw/zinc/22/85/60/675228560.db2.gz SQPXIBDHHABHDC-HOTGVXAUSA-N 1 0 351.491 2.093 20 30 FEEDRO Cc1cccc(OCCC[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)c1 ZINC000818945256 675244686 /nfs/dbraw/zinc/24/46/86/675244686.db2.gz ZAHQPYNIZBOYPU-UHFFFAOYSA-N 1 0 359.451 2.094 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]C[C@@]1(O)CCCN(C(=O)OC(C)(C)C)CC1 ZINC000819383358 675287185 /nfs/dbraw/zinc/28/71/85/675287185.db2.gz WDJCULDYJKYUCC-TXPKVOOTSA-N 1 0 354.491 2.319 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N[C@H](C[NH3+])C2CCCC2)cc1Br ZINC000567613111 675306837 /nfs/dbraw/zinc/30/68/37/675306837.db2.gz NSJHCBFVPIXENZ-CQSZACIVSA-N 1 0 372.288 2.117 20 30 FEEDRO C#C[C@H](NC(=O)N1CC[NH+](CC(C)(C)O)CC1)c1ccc(Cl)cc1F ZINC000820745720 675384392 /nfs/dbraw/zinc/38/43/92/675384392.db2.gz YNQPLWGOGKVWJO-INIZCTEOSA-N 1 0 367.852 2.252 20 30 FEEDRO C#C[C@@H](NC(=O)NC[C@H]1CCCC[N@H+]1CCO)c1ccc(Cl)cc1F ZINC000820750142 675385017 /nfs/dbraw/zinc/38/50/17/675385017.db2.gz LAQUQOXGWRRHFE-RHSMWYFYSA-N 1 0 367.852 2.299 20 30 FEEDRO C=CCOc1ccc(Br)cc1NC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000568845067 675404418 /nfs/dbraw/zinc/40/44/18/675404418.db2.gz BTBPKLNPNYFVOM-YABSGUDNSA-N 1 0 352.232 2.353 20 30 FEEDRO C#CCN(CC(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1)C(=O)OC(C)(C)C ZINC000823333224 675545424 /nfs/dbraw/zinc/54/54/24/675545424.db2.gz URPRGMCPYOLMIY-CVEARBPZSA-N 1 0 351.491 2.093 20 30 FEEDRO CCOC(=O)CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)C#Cc1cccs1 ZINC000825414438 675651775 /nfs/dbraw/zinc/65/17/75/675651775.db2.gz FBEOZXWFTGSLRS-MRXNPFEDSA-N 1 0 362.495 2.366 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1ccc2n[nH]c(=S)n2c1)C(C)C ZINC000825437636 675653147 /nfs/dbraw/zinc/65/31/47/675653147.db2.gz IUKMOAWHSWRGFV-HNNXBMFYSA-N 1 0 359.499 2.446 20 30 FEEDRO C#CC[N@@H+](C)CCCNS(=O)(=O)c1cc(C(C)(C)C)ccc1OC ZINC000827644223 675770151 /nfs/dbraw/zinc/77/01/51/675770151.db2.gz QMINARCZYUVUTF-UHFFFAOYSA-N 1 0 352.500 2.226 20 30 FEEDRO C#CCNC(=O)CC[NH2+]C1(c2cc(Br)ccc2OC)CC1 ZINC000829447878 675879065 /nfs/dbraw/zinc/87/90/65/675879065.db2.gz RNSMVWWGYZXBQT-UHFFFAOYSA-N 1 0 351.244 2.176 20 30 FEEDRO C#CC[C@H]1CCC[N@@H+](CCOc2ccc(S(=O)(=O)N(C)C)cc2)C1 ZINC000829769397 675890161 /nfs/dbraw/zinc/89/01/61/675890161.db2.gz USZBWNVFOVGSNM-INIZCTEOSA-N 1 0 350.484 2.051 20 30 FEEDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)Cc2ccc(C#N)cc2F)C[C@H]1C ZINC000616419009 676249633 /nfs/dbraw/zinc/24/96/33/676249633.db2.gz HASOOBYQOBUHTL-CZUORRHYSA-N 1 0 353.463 2.332 20 30 FEEDRO C[C@H](CC#N)N(C)S(=O)(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000619749170 676393168 /nfs/dbraw/zinc/39/31/68/676393168.db2.gz NNTSIZDZPDKPHH-MRXNPFEDSA-N 1 0 356.536 2.053 20 30 FEEDRO C=CCOc1c(Cl)cc(C[NH2+]C[C@@H]2CN(C)CCN2C)cc1OC ZINC000623414033 676533958 /nfs/dbraw/zinc/53/39/58/676533958.db2.gz QVZVEFFEJUKDHF-OAHLLOKOSA-N 1 0 353.894 2.249 20 30 FEEDRO C=CCOc1c(Br)cc(C[NH2+][C@@H]2COC[C@@H]2O)cc1OCC ZINC000631200278 676937114 /nfs/dbraw/zinc/93/71/14/676937114.db2.gz FGCGQCNYGHCFNI-KGLIPLIRSA-N 1 0 372.259 2.262 20 30 FEEDRO C=CC[NH+]1CCC(Nc2ccccc2S(=O)(=O)NCCCOC)CC1 ZINC000641358056 677202489 /nfs/dbraw/zinc/20/24/89/677202489.db2.gz FAJYSFVGKZCYMV-UHFFFAOYSA-N 1 0 367.515 2.064 20 30 FEEDRO C=CCNS(=O)(=O)c1ccccc1NC[C@@]1([NH+](C)C)CCSC1 ZINC000641437358 677206131 /nfs/dbraw/zinc/20/61/31/677206131.db2.gz LIGLEHVZMGMTQX-INIZCTEOSA-N 1 0 355.529 2.000 20 30 FEEDRO C=CCn1cc(C(=O)Nc2cc(Cl)ccc2N2CC[NH+](C)CC2)nn1 ZINC000648219017 677312920 /nfs/dbraw/zinc/31/29/20/677312920.db2.gz CUDJUASBNJSOSI-UHFFFAOYSA-N 1 0 360.849 2.122 20 30 FEEDRO C=C(C)[C@H](NC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)c1ccc(F)c(F)c1 ZINC000654534751 677586863 /nfs/dbraw/zinc/58/68/63/677586863.db2.gz OYSTVHIHTDMEQD-VBQJREDUSA-N 1 0 351.397 2.042 20 30 FEEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1cc(S(N)(=O)=O)ccc1C ZINC000661115836 678437097 /nfs/dbraw/zinc/43/70/97/678437097.db2.gz UJPSXZMPTPVFOH-ZBFHGGJFSA-N 1 0 365.499 2.305 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000661142563 678440759 /nfs/dbraw/zinc/44/07/59/678440759.db2.gz WXJFSSHACCDCRF-CVEARBPZSA-N 1 0 359.499 2.265 20 30 FEEDRO C=CC[N@@H+](CC(=O)Nc1ccc(C)c(S(=O)(=O)N(C)C)c1)C(C)(C)C ZINC000661756834 678530381 /nfs/dbraw/zinc/53/03/81/678530381.db2.gz WLACAGWXTZGAPE-UHFFFAOYSA-N 1 0 367.515 2.470 20 30 FEEDRO C=CC[C@@]1(C(=O)Nc2cccc(S(=O)(=O)NCCCC)c2)CCC[NH2+]1 ZINC000662451408 678622262 /nfs/dbraw/zinc/62/22/62/678622262.db2.gz LBTMBGZLXHFFTJ-SFHVURJKSA-N 1 0 365.499 2.402 20 30 FEEDRO C=CCN1CCN(C[NH+]2CCC(CCC(=O)N(CC)CC)CC2)C1=O ZINC000840043718 680794721 /nfs/dbraw/zinc/79/47/21/680794721.db2.gz MPDPGIHOLXEWBN-UHFFFAOYSA-N 1 0 350.507 2.228 20 30 FEEDRO C=CC[C@@]1(C(=O)NCCC(=O)Nc2cc(Cl)ccc2OC)CCC[NH2+]1 ZINC000662646251 678646475 /nfs/dbraw/zinc/64/64/75/678646475.db2.gz NHLLAADTDPVWAT-SFHVURJKSA-N 1 0 365.861 2.492 20 30 FEEDRO C=CC[C@]1(C(=O)Nc2nc(CN3C[C@@H](C)O[C@H](C)C3)cs2)CCC[NH2+]1 ZINC000662671346 678648999 /nfs/dbraw/zinc/64/89/99/678648999.db2.gz NPNQPAVGXNJPCW-HBUWYVDXSA-N 1 0 364.515 2.389 20 30 FEEDRO C[NH+](C)CCOc1ccc(C=NNS(=O)(=O)c2ccc(F)cc2)cc1 ZINC000764719677 680819354 /nfs/dbraw/zinc/81/93/54/680819354.db2.gz DHBAEZORKMWWPF-UHFFFAOYSA-N 1 0 365.430 2.079 20 30 FEEDRO O=C(NCC#Cc1cccc(C(F)(F)F)c1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000668996959 679213680 /nfs/dbraw/zinc/21/36/80/679213680.db2.gz ISVKIYIXXFIZKE-HOCLYGCPSA-N 1 0 351.372 2.450 20 30 FEEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)Nc1nnc(SCc2ccccc2)s1 ZINC000841010995 680859369 /nfs/dbraw/zinc/85/93/69/680859369.db2.gz ZHZZFIMDGHRRJA-VXGBXAGGSA-N 1 0 360.468 2.063 20 30 FEEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)Nc1cc(Cl)ccc1N1CCSCC1 ZINC000841092952 680862824 /nfs/dbraw/zinc/86/28/24/680862824.db2.gz NNRTXNZKORILJE-FZMZJTMJSA-N 1 0 365.890 2.126 20 30 FEEDRO N#Cc1csc(C[NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)c1 ZINC000748099281 679930167 /nfs/dbraw/zinc/93/01/67/679930167.db2.gz LQDBXQQXSHJXSL-UHFFFAOYSA-N 1 0 361.492 2.144 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CCC2CCOCC2)C1 ZINC001015819868 680053173 /nfs/dbraw/zinc/05/31/73/680053173.db2.gz SFXQNGSLTGPVHU-FHWLQOOXSA-N 1 0 350.503 2.365 20 30 FEEDRO C=CCOCC[N@H+]1C[C@@H](CNC(=O)OC(C)(C)C)C2(C1)CCOCC2 ZINC000832034002 680079033 /nfs/dbraw/zinc/07/90/33/680079033.db2.gz HTCHQKHKTMLWNU-MRXNPFEDSA-N 1 0 354.491 2.442 20 30 FEEDRO C=C(Br)C[NH2+][C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccncc2)C1 ZINC001018869376 680084483 /nfs/dbraw/zinc/08/44/83/680084483.db2.gz VBRMJDLUJDMKRG-SOUVJXGZSA-N 1 0 350.260 2.284 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3cc(C)ns3)C[C@H]21 ZINC000978841809 680181625 /nfs/dbraw/zinc/18/16/25/680181625.db2.gz PDAQSJANGACZGV-TXTZMMAHSA-N 1 0 361.511 2.227 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](CC3CC(F)(F)C3)C[C@H]21 ZINC000978844793 680181832 /nfs/dbraw/zinc/18/18/32/680181832.db2.gz WWILYOYUYKSQBD-VIQHNZTISA-N 1 0 354.441 2.307 20 30 FEEDRO COc1cc(C(=O)N[C@H]2C[NH2+]C[C@H]2C#N)cc(Cl)c1OCC(C)C ZINC000834499651 680235773 /nfs/dbraw/zinc/23/57/73/680235773.db2.gz KXJBHYNKXQHTRB-OCCSQVGLSA-N 1 0 351.834 2.225 20 30 FEEDRO CC(C)CN(CC1CC[NH+](C)CC1)C(=O)C(=O)Nc1sccc1C#N ZINC000874216547 685325462 /nfs/dbraw/zinc/32/54/62/685325462.db2.gz VEIMFGXFHQQVAN-UHFFFAOYSA-N 1 0 362.499 2.385 20 30 FEEDRO C=C(C)CN(CC)C(=O)C[NH2+][C@H](C)c1cccc(NS(C)(=O)=O)c1 ZINC000753910416 680323775 /nfs/dbraw/zinc/32/37/75/680323775.db2.gz JPFPLSYCFFUQNQ-CQSZACIVSA-N 1 0 353.488 2.133 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2csnc2OC)C1 ZINC001026849767 680350135 /nfs/dbraw/zinc/35/01/35/680350135.db2.gz FDFHJIVCOMOHRX-BMFZPTHFSA-N 1 0 365.499 2.071 20 30 FEEDRO N#Cc1cc(Cl)c(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c(Cl)c1 ZINC000754412285 680354802 /nfs/dbraw/zinc/35/48/02/680354802.db2.gz MGEXWLZYRKJXIP-NWDGAFQWSA-N 1 0 354.237 2.458 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2csc(Cl)n2)C1 ZINC001027076487 680354824 /nfs/dbraw/zinc/35/48/24/680354824.db2.gz OXOAGRSYYMMJQE-YUTCNCBUSA-N 1 0 355.891 2.326 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2ncc(Cl)n2C)C1 ZINC000999192065 680397964 /nfs/dbraw/zinc/39/79/64/680397964.db2.gz DBPQQPCLDFBWCB-KFWWJZLASA-N 1 0 366.893 2.135 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC1C[NH+](CC[C@@H]2CCCCO2)C1 ZINC001032040626 680411708 /nfs/dbraw/zinc/41/17/08/680411708.db2.gz NKTLIZXFKYXPGD-FHWLQOOXSA-N 1 0 350.503 2.365 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](CC2CCOCC2)C1 ZINC001033496410 680424676 /nfs/dbraw/zinc/42/46/76/680424676.db2.gz KCZAQKVPKZOREH-FHWLQOOXSA-N 1 0 350.503 2.317 20 30 FEEDRO Fc1ccc(-n2cc(C=NNCC[NH+]3CCCCC3)nn2)c(Cl)c1 ZINC000755654968 680427053 /nfs/dbraw/zinc/42/70/53/680427053.db2.gz AJEXTAGRWHMROD-UHFFFAOYSA-N 1 0 350.829 2.469 20 30 FEEDRO C[NH+]1CCC([C@@H]2CCN(S(=O)(=O)c3cccc(F)c3C#N)C2)CC1 ZINC000755975323 680449482 /nfs/dbraw/zinc/44/94/82/680449482.db2.gz RGNPHCLKEGNPTK-CQSZACIVSA-N 1 0 351.447 2.050 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([N@H+](C)CCn2cc(Cl)cn2)CC1 ZINC000985659806 680467341 /nfs/dbraw/zinc/46/73/41/680467341.db2.gz BFMBHWQLYHGLKL-SJORKVTESA-N 1 0 366.893 2.050 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([N@H+](C)CC[C@H]2CCCCO2)CC1 ZINC000985661613 680467945 /nfs/dbraw/zinc/46/79/45/680467945.db2.gz OTPAAETYMMADBA-QRVBRYPASA-N 1 0 350.503 2.460 20 30 FEEDRO CC[C@@H](C(=O)N1CC[C@H]2CN(c3nc(C#N)c(Cl)s3)C[C@H]21)[NH+](C)C ZINC001040670475 680482539 /nfs/dbraw/zinc/48/25/39/680482539.db2.gz FWXQEIXCBDTEMC-WCFLWFBJSA-N 1 0 367.906 2.045 20 30 FEEDRO C[N@@H+]1CCCC(N=Nc2ccc(S(=O)(=O)N3CCCCC3)cn2)CC1 ZINC000758096815 680555327 /nfs/dbraw/zinc/55/53/27/680555327.db2.gz ZJIGNYPGUSAGCD-UHFFFAOYSA-N 1 0 365.503 2.140 20 30 FEEDRO C=C(Cl)C[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2C[C@H]2C(=O)N(C)C)CC1 ZINC001004548234 680559896 /nfs/dbraw/zinc/55/98/96/680559896.db2.gz QRLURCNOWAMPGO-IKGGRYGDSA-N 1 0 367.921 2.166 20 30 FEEDRO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2Nc2snc(Cl)c2C#N)C1 ZINC001045497528 680632141 /nfs/dbraw/zinc/63/21/41/680632141.db2.gz DZZWRWKRDQPEDD-RAIGVLPGSA-N 1 0 367.906 2.459 20 30 FEEDRO C=C(C)CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1OCCO[C@H]1C)C2 ZINC001045944745 680641992 /nfs/dbraw/zinc/64/19/92/680641992.db2.gz HINUOLMDWTWPSE-CMKODMSKSA-N 1 0 350.503 2.461 20 30 FEEDRO C=C(Cl)C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CN(C)C[C@@H](C)O1)C2 ZINC001045946896 680642099 /nfs/dbraw/zinc/64/20/99/680642099.db2.gz DMPXBXLDXOHHNT-LMMKCTJWSA-N 1 0 369.937 2.163 20 30 FEEDRO CC#CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3C[C@H]3c3ccsc3)CC2)C1 ZINC001046038001 680643074 /nfs/dbraw/zinc/64/30/74/680643074.db2.gz FLGPRALGOMZTLA-GBESFXJTSA-N 1 0 357.523 2.093 20 30 FEEDRO C=CCC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2C[C@H]2c2ccnn2C)C1 ZINC001046959658 680654630 /nfs/dbraw/zinc/65/46/30/680654630.db2.gz CVMRFGWYWYMFQE-RBSFLKMASA-N 1 0 352.429 2.173 20 30 FEEDRO C=C(Cl)C(C)(C)C(=O)N1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C(C)(C)C1 ZINC001008206972 680664689 /nfs/dbraw/zinc/66/46/89/680664689.db2.gz GHYRWSPDEWWFJU-BPLDGKMQSA-N 1 0 369.937 2.459 20 30 FEEDRO CCOc1cc(Br)ccc1NC(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000841149240 680865979 /nfs/dbraw/zinc/86/59/79/680865979.db2.gz DVOHJTBNTHCGKC-CABZTGNLSA-N 1 0 353.220 2.081 20 30 FEEDRO COCCOc1c(Cl)cc(NC(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)cc1Cl ZINC000841172139 680867429 /nfs/dbraw/zinc/86/74/29/680867429.db2.gz FOPMLPGIBUAQNQ-TVQRCGJNSA-N 1 0 373.240 2.252 20 30 FEEDRO Cc1nc(NC(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)sc1Cc1cccc(F)c1 ZINC000841259940 680871841 /nfs/dbraw/zinc/87/18/41/680871841.db2.gz ZGANSJZRGFWHSI-TZMCWYRMSA-N 1 0 359.430 2.415 20 30 FEEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)Nc1cccc2c(Br)ccnc12 ZINC000841259428 680871892 /nfs/dbraw/zinc/87/18/92/680871892.db2.gz OWDIIQPQTHIEIX-ZANVPECISA-N 1 0 360.215 2.230 20 30 FEEDRO C#CCNC(=O)C1CC[NH+](CCOc2ccccc2Br)CC1 ZINC000768715921 680955997 /nfs/dbraw/zinc/95/59/97/680955997.db2.gz ZOPQFYFUFOZUST-UHFFFAOYSA-N 1 0 365.271 2.289 20 30 FEEDRO C#CCOc1ccc(C[NH2+]C[C@@H]2CS(=O)(=O)c3ccccc3O2)cc1 ZINC000842721847 680962147 /nfs/dbraw/zinc/96/21/47/680962147.db2.gz MAXSPTLATNWKJW-QGZVFWFLSA-N 1 0 357.431 2.023 20 30 FEEDRO N#CCc1ccc(OC[C@H](O)C[NH2+]C[C@H](O)c2ccccc2Cl)cc1 ZINC000843061471 680985012 /nfs/dbraw/zinc/98/50/12/680985012.db2.gz ALYXRQIZUCSFRW-BEFAXECRSA-N 1 0 360.841 2.469 20 30 FEEDRO Cc1cc(C)cc([C@@H](O)C[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)c1 ZINC000843096235 680987462 /nfs/dbraw/zinc/98/74/62/680987462.db2.gz YGFTVYNQRCTTDN-IBGZPJMESA-N 1 0 358.463 2.272 20 30 FEEDRO C#CC[C@H]1CCC[N@@H+](Cc2cc(Cl)c(OCC(N)=O)c(OC)c2)C1 ZINC000843424529 681003406 /nfs/dbraw/zinc/00/34/06/681003406.db2.gz VLPIOWSYDVQWFW-ZDUSSCGKSA-N 1 0 350.846 2.448 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)C[C@H](C)n2cc(Br)cn2)CC1 ZINC000843802820 681019319 /nfs/dbraw/zinc/01/93/19/681019319.db2.gz AQGNXNLVPNITSU-ZDUSSCGKSA-N 1 0 367.291 2.201 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[C@H](C[NH2+]C[C@H]2CCOC2)CC1 ZINC001050375846 681047010 /nfs/dbraw/zinc/04/70/10/681047010.db2.gz QQJJFNOZPRVCBS-QQXKLLMISA-N 1 0 350.503 2.269 20 30 FEEDRO C[C@@H]1[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)CCN1c1nc(C#N)c(Cl)s1 ZINC001050454696 681048339 /nfs/dbraw/zinc/04/83/39/681048339.db2.gz NZHCTYFLARBBMK-UTUOFQBUSA-N 1 0 367.906 2.093 20 30 FEEDRO Cc1csc2nc(C[N@H+](C)C[C@H](O)c3cccc(C#N)c3)cc(=O)n12 ZINC000844365179 681054312 /nfs/dbraw/zinc/05/43/12/681054312.db2.gz CBDNALMQTGDBHP-INIZCTEOSA-N 1 0 354.435 2.102 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC2(C1)CC[NH+]([C@@H](C)COC)CC2 ZINC001050693860 681054434 /nfs/dbraw/zinc/05/44/34/681054434.db2.gz KUMURPWKGIUREG-BZSNNMDCSA-N 1 0 350.503 2.317 20 30 FEEDRO C[C@@H]1[C@H](C(=O)N[C@H]2CCN(c3ncc(C#N)cc3Cl)[C@@H]2C)CC[N@@H+]1C ZINC001051145841 681064146 /nfs/dbraw/zinc/06/41/46/681064146.db2.gz PLUPAOONDOHOCH-NCZKRNLISA-N 1 0 361.877 2.030 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@@H](C[NH2+]Cc2ccc(Cl)cc2)C1 ZINC001051834562 681069618 /nfs/dbraw/zinc/06/96/18/681069618.db2.gz QPEQEMLZCBPJJB-KSZLIROESA-N 1 0 364.873 2.248 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCO[C@H](C[NH2+]Cc2ccsc2)C1 ZINC001051867939 681070498 /nfs/dbraw/zinc/07/04/98/681070498.db2.gz QKXMMIIZRXDCGG-IKGGRYGDSA-N 1 0 350.484 2.046 20 30 FEEDRO C#C[C@@H](NC(=O)NCC1CC[NH+](Cc2cccs2)CC1)[C@@H]1CCCO1 ZINC000773258107 681133439 /nfs/dbraw/zinc/13/34/39/681133439.db2.gz BYBZKWSVMMSCII-MSOLQXFVSA-N 1 0 361.511 2.440 20 30 FEEDRO C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)O[C@@H]1CCC[C@H](C#N)C1 ZINC000845603818 681140815 /nfs/dbraw/zinc/14/08/15/681140815.db2.gz YAOGICGOTNKFRF-ZNMIVQPWSA-N 1 0 353.463 2.457 20 30 FEEDRO C=C[C@H](C)ONC(=O)N(C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000845628795 681141967 /nfs/dbraw/zinc/14/19/67/681141967.db2.gz FOUKFYBVGKPHAM-INIZCTEOSA-N 1 0 352.523 2.330 20 30 FEEDRO C[C@@H]1[C@H](C(=O)N2CC[C@@H](Nc3nc(C#N)c(Cl)s3)C2)CC[N@@H+]1C ZINC001056801906 681156619 /nfs/dbraw/zinc/15/66/19/681156619.db2.gz QEZUZTMSVYKSGT-GMTAPVOTSA-N 1 0 353.879 2.021 20 30 FEEDRO C[C@@H]1[C@H](C(=O)NC2CCN(c3snc(Cl)c3C#N)CC2)CC[N@@H+]1C ZINC001057965030 681166257 /nfs/dbraw/zinc/16/62/57/681166257.db2.gz VIJQJVADHLPCSU-ZYHUDNBSSA-N 1 0 367.906 2.093 20 30 FEEDRO CC(C)(C#N)c1ccc(S(=O)(=O)NCc2ccc(CC[NH3+])cc2)cc1 ZINC000846229867 681205013 /nfs/dbraw/zinc/20/50/13/681205013.db2.gz YZQDXIBEIAUNMR-UHFFFAOYSA-N 1 0 357.479 2.467 20 30 FEEDRO C#C[C@@H]1CCC[N@@H+](CCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)C1 ZINC000847027955 681322698 /nfs/dbraw/zinc/32/26/98/681322698.db2.gz DZYOVCKDJDZZHJ-CYBMUJFWSA-N 1 0 359.495 2.400 20 30 FEEDRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)N[C@H](CC#N)C(F)(F)F)cc1 ZINC000932903147 681325750 /nfs/dbraw/zinc/32/57/50/681325750.db2.gz OXFVQSNDBZQSRR-ZIAGYGMSSA-N 1 0 358.364 2.442 20 30 FEEDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)N[C@@H](CC#N)C(F)(F)F)[C@H](C)C1 ZINC000932919450 681328536 /nfs/dbraw/zinc/32/85/36/681328536.db2.gz ISOQYGBMTKINNT-RDBSUJKOSA-N 1 0 364.412 2.267 20 30 FEEDRO N#CC[C@@H](NC(=O)NCC1([NH+]2CCSCC2)CCCC1)C(F)(F)F ZINC000932925571 681329373 /nfs/dbraw/zinc/32/93/73/681329373.db2.gz RZCFGUJGNFEVPO-GFCCVEGCSA-N 1 0 364.437 2.492 20 30 FEEDRO FC1(F)[C@H]2C[N@H+](CCc3cn[nH]n3)C[C@H]2C(F)(F)C(F)(F)C1(F)F ZINC000932941911 681331804 /nfs/dbraw/zinc/33/18/04/681331804.db2.gz DUEVILIGMITNQS-OCAPTIKFSA-N 1 0 364.240 2.450 20 30 FEEDRO CC[NH+](CC)CCNC(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000847280789 681358329 /nfs/dbraw/zinc/35/83/29/681358329.db2.gz HPKYRIPBQFTQPC-UHFFFAOYSA-N 1 0 351.491 2.095 20 30 FEEDRO C#C[C@@H](NC(=O)N(CC[NH+](CC)CC)CCC(F)(F)F)[C@H]1CCCO1 ZINC000776230007 681374989 /nfs/dbraw/zinc/37/49/89/681374989.db2.gz ZDHGJMTVBFTAFC-HUUCEWRRSA-N 1 0 363.424 2.473 20 30 FEEDRO C[N@@H+]1CCC[C@@H](NC(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)C1 ZINC000847448357 681380550 /nfs/dbraw/zinc/38/05/50/681380550.db2.gz OZMKPHQHJUQQCW-CABCVRRESA-N 1 0 352.479 2.174 20 30 FEEDRO CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@](C)(CO)Cc1ccc(Cl)cc1 ZINC000933449876 681415293 /nfs/dbraw/zinc/41/52/93/681415293.db2.gz RIKFJXBFQHHAOY-ROUUACIJSA-N 1 0 351.878 2.278 20 30 FEEDRO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000933738570 681460643 /nfs/dbraw/zinc/46/06/43/681460643.db2.gz ZCNUDCCVNXIMKD-QHRIQVFBSA-N 1 0 358.511 2.319 20 30 FEEDRO C#CC[N@H+]1CCC[C@@H]1COC(=O)C[C@@H](NC(=O)OC(C)(C)C)C1CC1 ZINC000777310400 681481288 /nfs/dbraw/zinc/48/12/88/681481288.db2.gz KHEMVIGJKHBUFD-HZPDHXFCSA-N 1 0 350.459 2.321 20 30 FEEDRO COC(=O)[C@H]1C[N@@H+]([C@@H](C)CCC#N)CC12CN(C(=O)OC(C)(C)C)C2 ZINC000934052948 681501911 /nfs/dbraw/zinc/50/19/11/681501911.db2.gz VGPBCYFWKJGQMD-UONOGXRCSA-N 1 0 351.447 2.021 20 30 FEEDRO CN1CCN(c2ccc(NC(=O)[C@H]([NH3+])CCCCC#N)cc2Cl)CC1 ZINC000848414894 681536623 /nfs/dbraw/zinc/53/66/23/681536623.db2.gz FOMNURDBAAHHAZ-MRXNPFEDSA-N 1 0 363.893 2.442 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCOC2(CC[NH+](CC(C)C)CC2)C1 ZINC000949095525 681616793 /nfs/dbraw/zinc/61/67/93/681616793.db2.gz ORXWKNZGYXECLO-MSOLQXFVSA-N 1 0 350.503 2.317 20 30 FEEDRO CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000848941014 681646245 /nfs/dbraw/zinc/64/62/45/681646245.db2.gz ZXTVZIZEVAKCBA-GJZGRUSLSA-N 1 0 352.479 2.079 20 30 FEEDRO C=C(C)CNC(=[NH2+])NCCCN(C1CC1)S(=O)(=O)c1cccc(F)c1 ZINC000848994466 681647181 /nfs/dbraw/zinc/64/71/81/681647181.db2.gz VZUZNEQBYGKIHF-UHFFFAOYSA-N 1 0 368.478 2.059 20 30 FEEDRO CCS(=O)(=O)NCCC[NH+]=C(Nc1ccccc1)N1CCCCC1 ZINC000849073528 681649833 /nfs/dbraw/zinc/64/98/33/681649833.db2.gz HQEBHAFNOCQKDM-UHFFFAOYSA-N 1 0 352.504 2.270 20 30 FEEDRO N#Cc1c(Br)cccc1OCC(=O)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912905261 685466220 /nfs/dbraw/zinc/46/62/20/685466220.db2.gz ZKBMPRVOPGIUCA-GFCCVEGCSA-N 1 0 364.243 2.006 20 30 FEEDRO C#CCOc1ccc(F)cc1NC(=O)N1C[C@@H]([NH+](C)C)[C@@H](SC)C1 ZINC000779355100 681708106 /nfs/dbraw/zinc/70/81/06/681708106.db2.gz ZGPWYSZSBNOFDR-ZBFHGGJFSA-N 1 0 351.447 2.347 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N(CC)C1C[NH+](C[C@H](OC)C2CCCC2)C1 ZINC000951785436 681756679 /nfs/dbraw/zinc/75/66/79/681756679.db2.gz NVDXDFLVQPRHPZ-QYZOEREBSA-N 1 0 350.503 2.315 20 30 FEEDRO Cc1sc2nc(C)nc(SCC(=O)NCC#CC[NH+](C)C)c2c1C ZINC000913515054 685479147 /nfs/dbraw/zinc/47/91/47/685479147.db2.gz GUGRVVVJEKGELR-UHFFFAOYSA-N 1 0 362.524 2.390 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(CC)C1C[NH+](CCC2CCOCC2)C1 ZINC000953830710 681800797 /nfs/dbraw/zinc/80/07/97/681800797.db2.gz HQXAFCKTWRGKLK-OALUTQOASA-N 1 0 350.503 2.317 20 30 FEEDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNS(=O)(=O)Cc2csc(C#N)c2)C1 ZINC000913929360 685489164 /nfs/dbraw/zinc/48/91/64/685489164.db2.gz REGPOGHEKUFBDV-OKILXGFUSA-N 1 0 355.529 2.407 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNS(=O)(=O)c1cnc(Cl)n1C)C(C)C ZINC000780854077 681878039 /nfs/dbraw/zinc/87/80/39/681878039.db2.gz XUUKJDMZCIIYQA-ZDUSSCGKSA-N 1 0 360.911 2.050 20 30 FEEDRO C=CCNS(=O)(=O)c1cccc(C(=O)OCC[C@@H]2CCCC[N@H+]2C)c1 ZINC000914424466 685507664 /nfs/dbraw/zinc/50/76/64/685507664.db2.gz GOAXWSXXYSCKNX-INIZCTEOSA-N 1 0 366.483 2.182 20 30 FEEDRO C#C[C@@](C)(CC)[NH2+]Cc1nc2cc(S(=O)(=O)N(C)C)ccc2n1CC ZINC000852099968 682219873 /nfs/dbraw/zinc/21/98/73/682219873.db2.gz DUZUWEYIECODSX-SFHVURJKSA-N 1 0 362.499 2.198 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N[C@H](C)CN(C)C(=O)OC(C)(C)C)CC1 ZINC000852126475 682224291 /nfs/dbraw/zinc/22/42/91/682224291.db2.gz BYLYWBKVQZXBCN-CQSZACIVSA-N 1 0 354.495 2.191 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)NC[C@@H]1CCN(c2ccccc2Cl)C1 ZINC000852357430 682265912 /nfs/dbraw/zinc/26/59/12/682265912.db2.gz BECGAWAAXVFHTO-INIZCTEOSA-N 1 0 362.905 2.421 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)N[C@H](CO)c1cccc(Cl)c1Cl ZINC000852359122 682266313 /nfs/dbraw/zinc/26/63/13/682266313.db2.gz CRRVBILBGXVYCH-CQSZACIVSA-N 1 0 358.269 2.281 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CCn2cc(Cl)cn2)C1 ZINC000970220514 682289200 /nfs/dbraw/zinc/28/92/00/682289200.db2.gz ALZSCNPBXCTUDE-IKGGRYGDSA-N 1 0 366.893 2.098 20 30 FEEDRO O=C(C#CC1CC[NH2+]CC1)Nc1ccc(I)cc1 ZINC000852799933 682344333 /nfs/dbraw/zinc/34/43/33/682344333.db2.gz JFWTWRPZMSLDKL-UHFFFAOYSA-N 1 0 354.191 2.233 20 30 FEEDRO N#Cc1ccc(NC(=S)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cc1Cl ZINC000853043427 682367459 /nfs/dbraw/zinc/36/74/59/682367459.db2.gz KEDHOHDSHAVOGM-OAHLLOKOSA-N 1 0 364.902 2.439 20 30 FEEDRO C[N@H+](Cc1ccc(C#N)s1)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C1 ZINC000971718396 682369375 /nfs/dbraw/zinc/36/93/75/682369375.db2.gz DRNSAURSIRIOSL-DAXOMENPSA-N 1 0 355.467 2.179 20 30 FEEDRO CCN(CC)S(=O)(=O)c1ccc(N=NC2CCC[C@H]([NH+](C)C)C2)nc1 ZINC000788418823 682529172 /nfs/dbraw/zinc/52/91/72/682529172.db2.gz BHMUGMSPEKYABQ-HNNXBMFYSA-N 1 0 367.519 2.384 20 30 FEEDRO O=C(C#Cc1ccc(C(F)(F)F)cc1)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000790542525 682684438 /nfs/dbraw/zinc/68/44/38/682684438.db2.gz KAGJBNHEFPQBQG-HOTGVXAUSA-N 1 0 352.356 2.036 20 30 FEEDRO O=C(C#Cc1ccc(C(F)(F)F)cc1)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000790542535 682684504 /nfs/dbraw/zinc/68/45/04/682684504.db2.gz KAGJBNHEFPQBQG-JKSUJKDBSA-N 1 0 352.356 2.036 20 30 FEEDRO C[NH+]1CCC(CCO)(NC(=O)C#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000790859923 682707686 /nfs/dbraw/zinc/70/76/86/682707686.db2.gz XPDCUWHWJDQBGX-UHFFFAOYSA-N 1 0 354.372 2.020 20 30 FEEDRO CC(C)(C#N)C[C@H](O)C[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000857235833 682867616 /nfs/dbraw/zinc/86/76/16/682867616.db2.gz BAYRDYBJMPQWNS-AWEZNQCLSA-N 1 0 353.413 2.192 20 30 FEEDRO CC[NH+](CC)CC#C[C@@H](C)OC(=O)[C@H]1CCS(=O)(=O)c2ccccc21 ZINC000793179848 682869936 /nfs/dbraw/zinc/86/99/36/682869936.db2.gz MULWCTJBNWOMBG-WBVHZDCISA-N 1 0 363.479 2.225 20 30 FEEDRO CC[NH+](CC)CC#C[C@H](C)OC(=O)[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000793179842 682870029 /nfs/dbraw/zinc/87/00/29/682870029.db2.gz MULWCTJBNWOMBG-DOTOQJQBSA-N 1 0 363.479 2.225 20 30 FEEDRO C=CCc1cc(OCC)cc(C[N@@H+]2CC[C@@H](CS(C)(=O)=O)C2)c1O ZINC000793702373 682904955 /nfs/dbraw/zinc/90/49/55/682904955.db2.gz YJYOAPVBCZCDLL-CQSZACIVSA-N 1 0 353.484 2.386 20 30 FEEDRO C#CC[C@@H](COC)NC(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000858409672 682965950 /nfs/dbraw/zinc/96/59/50/682965950.db2.gz DYCOYWOULADGBY-NFOMZHRRSA-N 1 0 361.408 2.129 20 30 FEEDRO C[NH+](C)CCCNC(=S)NN=C(COC(F)(F)F)c1ccccc1 ZINC000794510121 682974062 /nfs/dbraw/zinc/97/40/62/682974062.db2.gz KKURRZSESJFVDJ-UHFFFAOYSA-N 1 0 362.421 2.343 20 30 FEEDRO C[NH+](C)CCCNC(=S)NN=C1c2ccccc2CC12CCOCC2 ZINC000794908497 683002431 /nfs/dbraw/zinc/00/24/31/683002431.db2.gz JJSKCRJOAQIBBV-UHFFFAOYSA-N 1 0 360.527 2.159 20 30 FEEDRO C#CCOc1ccc(Br)cc1C[NH2+]C[C@@H](CO)[C@H]1CCOC1 ZINC000795581449 683069570 /nfs/dbraw/zinc/06/95/70/683069570.db2.gz FDNDXJIRURVYQL-ZFWWWQNUSA-N 1 0 368.271 2.196 20 30 FEEDRO C=CCS(=O)(=O)CC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C12CCCC2 ZINC000926127316 683080059 /nfs/dbraw/zinc/08/00/59/683080059.db2.gz WXISLUTXKMRKAF-HNNXBMFYSA-N 1 0 372.531 2.499 20 30 FEEDRO C#CCN(C(=O)NC[C@@H]1CCC[C@H](C(F)(F)F)O1)C1CC[NH+](C)CC1 ZINC000926402610 683120783 /nfs/dbraw/zinc/12/07/83/683120783.db2.gz JSNRGBYQLZCPOX-LSDHHAIUSA-N 1 0 361.408 2.225 20 30 FEEDRO C=CCOc1ccc(C[NH2+][C@@H](C)C2CCN(S(C)(=O)=O)CC2)cc1 ZINC000926401361 683120846 /nfs/dbraw/zinc/12/08/46/683120846.db2.gz MSXPHMHLZJZABO-HNNXBMFYSA-N 1 0 352.500 2.401 20 30 FEEDRO N#Cc1ncn(CC[NH2+]Cc2nc3ccc(Br)cc3s2)n1 ZINC000796498582 683165683 /nfs/dbraw/zinc/16/56/83/683165683.db2.gz XHVDWGAXNNZJFH-UHFFFAOYSA-N 1 0 363.244 2.312 20 30 FEEDRO CC(C)(C#N)CS(=O)(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000919896541 683305946 /nfs/dbraw/zinc/30/59/46/683305946.db2.gz XWWBFRZBOVJILX-ZWKOTPCHSA-N 1 0 361.511 2.320 20 30 FEEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CC[C@@H](CC[NH3+])C1 ZINC000927886283 683333464 /nfs/dbraw/zinc/33/34/64/683333464.db2.gz MUYOKQIWUOXNKK-ZIAGYGMSSA-N 1 0 360.483 2.217 20 30 FEEDRO C[C@@H]1CN(C(=O)C(=O)Nc2ccccc2SCCC#N)CC[C@@H]1C[NH3+] ZINC000927895511 683336794 /nfs/dbraw/zinc/33/67/94/683336794.db2.gz YHWFTYWANRAISI-ZIAGYGMSSA-N 1 0 360.483 2.074 20 30 FEEDRO C=CCn1c(CC[NH+]2CCCCC2)nn(CN(C)CCOC)c1=S ZINC000921047644 683390014 /nfs/dbraw/zinc/39/00/14/683390014.db2.gz AGWRKLZGAPKTTA-UHFFFAOYSA-N 1 0 353.536 2.164 20 30 FEEDRO C=CCN1CC[C@@H]([NH+]2CCC([C@@H](C)NC(=O)OC(C)(C)C)CC2)C1=O ZINC000799121611 683424465 /nfs/dbraw/zinc/42/44/65/683424465.db2.gz HXMNNSXDCBTFMH-GDBMZVCRSA-N 1 0 351.491 2.399 20 30 FEEDRO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)OC(C)(C)C)[C@@H](CC)C2)C1=O ZINC000799145855 683427683 /nfs/dbraw/zinc/42/76/83/683427683.db2.gz OLBQOWZWWPNBLX-JYJNAYRXSA-N 1 0 351.491 2.399 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)Cc2ccc(Br)cc2F)CC1 ZINC000928648652 683480620 /nfs/dbraw/zinc/48/06/20/683480620.db2.gz PCGHNULDMPZRCB-UHFFFAOYSA-N 1 0 353.235 2.345 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)[C@@](C)(CC)CNC(=O)OC(C)(C)C)CC1 ZINC000928654501 683482326 /nfs/dbraw/zinc/48/23/26/683482326.db2.gz FCXPXSRVZGKYOZ-IBGZPJMESA-N 1 0 351.491 2.141 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)c2cc(Cl)ccc2OCCOC)CC1 ZINC000928656091 683482669 /nfs/dbraw/zinc/48/26/69/683482669.db2.gz KKRHJMYLIMFIGZ-UHFFFAOYSA-N 1 0 350.846 2.193 20 30 FEEDRO C#CCN(C(=O)NC[C@]1(C)OCCc2sccc21)C1CC[NH+](C)CC1 ZINC000922530077 683741852 /nfs/dbraw/zinc/74/18/52/683741852.db2.gz BBIRBWDNAJDDSH-IBGZPJMESA-N 1 0 361.511 2.275 20 30 FEEDRO C[N@H+](CCOc1ccc(S(N)(=O)=O)cc1F)CC1CCC(C#N)CC1 ZINC000930668212 683767085 /nfs/dbraw/zinc/76/70/85/683767085.db2.gz WJGXHSXQULRVLL-UHFFFAOYSA-N 1 0 369.462 2.114 20 30 FEEDRO C=CCOc1c(Cl)cc(C[NH2+]C[C@H](O)c2ccnn2C)cc1OC ZINC000922970655 683813485 /nfs/dbraw/zinc/81/34/85/683813485.db2.gz QSNDKBOLRQBCDV-HNNXBMFYSA-N 1 0 351.834 2.470 20 30 FEEDRO C[NH+](C)CC#CCNC(=O)Nc1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000930984598 683813705 /nfs/dbraw/zinc/81/37/05/683813705.db2.gz NCYBCQLEWFDUTF-AWEZNQCLSA-N 1 0 365.861 2.442 20 30 FEEDRO CCN(CC)c1ccc(/C=[NH+]/CCCN2CCCS2(=O)=O)c(O)c1 ZINC000864347464 683840757 /nfs/dbraw/zinc/84/07/57/683840757.db2.gz RBRNKRDRKNJLFJ-NBVRZTHBSA-N 1 0 353.488 2.083 20 30 FEEDRO C[NH+](C)CCNC(=O)c1ccc(NC(=O)c2sccc2CC#N)cc1 ZINC000864847399 683899008 /nfs/dbraw/zinc/89/90/08/683899008.db2.gz WJGJCOZQRVHVCA-UHFFFAOYSA-N 1 0 356.451 2.358 20 30 FEEDRO O=C(NCC[NH2+]Cc1ccc(OC(F)F)cc1F)C1N=CC=CC1=O ZINC000865463239 683986200 /nfs/dbraw/zinc/98/62/00/683986200.db2.gz YFRWMNHAHAUUMW-PFONDFGASA-N 1 0 355.316 2.043 20 30 FEEDRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+][C@H]2Cc3ccc(C#N)cc3C2)c1 ZINC000866617497 684126879 /nfs/dbraw/zinc/12/68/79/684126879.db2.gz KHDQBKGVIZXJRO-ACJLOTCBSA-N 1 0 355.463 2.284 20 30 FEEDRO C=CCCSCCNC(=O)N[C@@H]1C[C@@]2(C[N@@H+](CC)[C@@H]2C(C)C)C[C@H]1O ZINC000923226570 684245117 /nfs/dbraw/zinc/24/51/17/684245117.db2.gz CCALGIDRYDPJKX-MTNOOBJLSA-N 1 0 369.575 2.465 20 30 FEEDRO Cc1ccc(S(=O)(=O)N[C@H]2C[C@@](C[NH3+])(c3ccccc3)C2)c(C#N)c1 ZINC000923740467 684344140 /nfs/dbraw/zinc/34/41/40/684344140.db2.gz NASHVELDNWHDKS-IZAXUBKRSA-N 1 0 355.463 2.204 20 30 FEEDRO C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)c3ccc(C#N)c(C(F)(F)F)c3)CC[C@H]21 ZINC000867812930 684397298 /nfs/dbraw/zinc/39/72/98/684397298.db2.gz OEIAVHAOZLFXNT-IUODEOHRSA-N 1 0 373.400 2.292 20 30 FEEDRO C#CCSCC[NH2+][C@H]1CC2(CN(C(=O)OC(C)(C)C)C2)n2ccnc21 ZINC000925456595 684563813 /nfs/dbraw/zinc/56/38/13/684563813.db2.gz YYNTYSKANWFDRH-AWEZNQCLSA-N 1 0 362.499 2.230 20 30 FEEDRO CC(C)(C)S(=O)(=O)CCCO[NH+]=Cc1ccc(N2CCOCC2)cc1 ZINC000871722350 684849544 /nfs/dbraw/zinc/84/95/44/684849544.db2.gz BLAWUBDRVRICJE-UHFFFAOYSA-N 1 0 368.499 2.477 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)NCc1cc(OC)c(O)cc1Br ZINC000911605096 685232865 /nfs/dbraw/zinc/23/28/65/685232865.db2.gz DYWOQRLYLPJHMJ-UHFFFAOYSA-N 1 0 357.248 2.287 20 30 FEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1ccc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000876613630 686228670 /nfs/dbraw/zinc/22/86/70/686228670.db2.gz GGGHKJOTKPRTOQ-DVOMOZLQSA-N 1 0 365.861 2.344 20 30 FEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1cc(C(=O)N2CCCC2)ccc1OC ZINC000876626249 686231320 /nfs/dbraw/zinc/23/13/20/686231320.db2.gz TUQOWMDJGBQSLI-CYBMUJFWSA-N 1 0 351.834 2.340 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC(C(=O)NCc2ccc(C)cc2)CC1 ZINC000876629825 686232803 /nfs/dbraw/zinc/23/28/03/686232803.db2.gz NOJHPYRZNAEWBY-KRWDZBQOSA-N 1 0 363.889 2.320 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000876631992 686233320 /nfs/dbraw/zinc/23/33/20/686233320.db2.gz PCKWMDOGQWAJFB-KBPBESRZSA-N 1 0 354.813 2.018 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N1CCc2cc(OC)c(OC)c(OC)c2CC1 ZINC000876897947 686290425 /nfs/dbraw/zinc/29/04/25/686290425.db2.gz OKKJOAJBXYLIGN-AWEZNQCLSA-N 1 0 368.861 2.110 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H]1CN(c2ccc(Cl)cc2)CCO1 ZINC000877013120 686309666 /nfs/dbraw/zinc/30/96/66/686309666.db2.gz KHLXZZIOXDICIB-GJZGRUSLSA-N 1 0 358.269 2.131 20 30 FEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC(NC(=O)c2oc(C)cc2C)CC1 ZINC000877082112 686323385 /nfs/dbraw/zinc/32/33/85/686323385.db2.gz WGKUUFKANXCXGL-CQSZACIVSA-N 1 0 353.850 2.087 20 30 FEEDRO COc1cccc([C@H]2CN(CC(=O)Nc3sccc3C#N)CC[NH2+]2)c1 ZINC000879525966 686846473 /nfs/dbraw/zinc/84/64/73/686846473.db2.gz SHOZUJYOJHRZEV-MRXNPFEDSA-N 1 0 356.451 2.213 20 30 FEEDRO CC(C)(C)OCCC[NH+]1CCN(CC(=O)Nc2sccc2C#N)CC1 ZINC000880411575 687045104 /nfs/dbraw/zinc/04/51/04/687045104.db2.gz HPAANXNJERPXCU-UHFFFAOYSA-N 1 0 364.515 2.381 20 30 FEEDRO C=CCNc1ncc(C(=O)N2CCC[C@H]([NH2+]C3CCOCC3)C2)s1 ZINC000881473079 687136733 /nfs/dbraw/zinc/13/67/33/687136733.db2.gz OUQSFYIVADSXMB-AWEZNQCLSA-N 1 0 350.488 2.114 20 30 FEEDRO C=CCNS(=O)(=O)c1ccccc1N1CCCC2(CC[NH+](C)CC2)C1 ZINC000882305190 687344579 /nfs/dbraw/zinc/34/45/79/687344579.db2.gz RVQYMIKSDHGBND-UHFFFAOYSA-N 1 0 363.527 2.463 20 30 FEEDRO CC1([NH+]2CCOCC2)CCN(c2ncc(C#N)cc2Br)CC1 ZINC000882659595 687430214 /nfs/dbraw/zinc/43/02/14/687430214.db2.gz COKRTVWPUDCXBW-UHFFFAOYSA-N 1 0 365.275 2.407 20 30 FEEDRO C[C@@H]1[C@H](C)N(C(=O)Nc2ccc(Br)c(C#N)n2)CC[N@H+]1C ZINC000883099703 687564915 /nfs/dbraw/zinc/56/49/15/687564915.db2.gz DGVSFELTJDGOBZ-ZJUUUORDSA-N 1 0 352.236 2.272 20 30 FEEDRO N#Cc1ccc(CN2CCC([NH2+]CC[C@H]3CCCS3(=O)=O)CC2)cc1 ZINC000883297040 687601936 /nfs/dbraw/zinc/60/19/36/687601936.db2.gz DSAMMPUMNGSHCN-LJQANCHMSA-N 1 0 361.511 2.080 20 30 FEEDRO C=CCCc1ccc(S(=O)(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)cc1 ZINC000883470247 687639080 /nfs/dbraw/zinc/63/90/80/687639080.db2.gz PAADVHYVRRPUNG-QGZVFWFLSA-N 1 0 364.511 2.242 20 30 FEEDRO [NH3+]CCN(CC(F)(F)F)S(=O)(=O)c1ccc(C(F)(F)F)cc1F ZINC000883471787 687639906 /nfs/dbraw/zinc/63/99/06/687639906.db2.gz ZABQTBOYBAIEAQ-UHFFFAOYSA-N 1 0 368.274 2.356 20 30 FEEDRO COCCOc1c(Cl)cccc1NC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884105925 687790225 /nfs/dbraw/zinc/79/02/25/687790225.db2.gz BDPXPMRRTPTEIU-YNAXMUEKSA-N 1 0 363.845 2.443 20 30 FEEDRO COCCOc1c(Cl)cccc1NC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884105924 687790498 /nfs/dbraw/zinc/79/04/98/687790498.db2.gz BDPXPMRRTPTEIU-XYEKJYRLSA-N 1 0 363.845 2.443 20 30 FEEDRO CCNC(=O)c1cc(Cl)ccc1NC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884121383 687794581 /nfs/dbraw/zinc/79/45/81/687794581.db2.gz NJJWLVPUTLMLTG-LASWEOPPSA-N 1 0 360.845 2.168 20 30 FEEDRO N#C[C@H]1C[NH2+]CC12CC(C(=O)N1CCN(c3ccccc3Cl)CC1)C2 ZINC000884175776 687807692 /nfs/dbraw/zinc/80/76/92/687807692.db2.gz HNAJARBERIWNJJ-HVEKOLDVSA-N 1 0 358.873 2.128 20 30 FEEDRO N#C[C@H]1C[NH2+]CC12CC(C(=O)NCCOc1ncc(Cl)cc1Cl)C2 ZINC000884233320 687825682 /nfs/dbraw/zinc/82/56/82/687825682.db2.gz NZLRGJXFOQVJQG-CSJGVYOVSA-N 1 0 369.252 2.023 20 30 FEEDRO N#C[C@@H]1C[NH2+]CC12CC(C(=O)N(Cc1cccs1)C[C@@H]1CCCO1)C2 ZINC000884377629 687858183 /nfs/dbraw/zinc/85/81/83/687858183.db2.gz QEHISTAHHKZSCO-BHEGOAEISA-N 1 0 359.495 2.395 20 30 FEEDRO N#C[C@@H]1C[NH2+]CC12CC(C(=O)N(Cc1cccs1)C[C@H]1CCCO1)C2 ZINC000884377630 687858620 /nfs/dbraw/zinc/85/86/20/687858620.db2.gz QEHISTAHHKZSCO-BWRBCVJASA-N 1 0 359.495 2.395 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N[C@@H](CO)c2ccccc2C(F)(F)F)CC1 ZINC000886562598 688275127 /nfs/dbraw/zinc/27/51/27/688275127.db2.gz CRPJBWSIRVUYFM-INIZCTEOSA-N 1 0 354.372 2.200 20 30 FEEDRO C#CCN(C(=O)CC[C@H](C)NC(=O)OC(C)(C)C)C1CC[NH+](C)CC1 ZINC000886577264 688279095 /nfs/dbraw/zinc/27/90/95/688279095.db2.gz BWSKWTNEVXSJCV-HNNXBMFYSA-N 1 0 351.491 2.236 20 30 FEEDRO N#CCCc1ccc(S(=O)(=O)NC[C@H]2[NH2+]CCc3ccccc32)cc1 ZINC000886886646 688332489 /nfs/dbraw/zinc/33/24/89/688332489.db2.gz NXLNWZXTVWZECQ-LJQANCHMSA-N 1 0 355.463 2.308 20 30 FEEDRO C=C(C)CNc1nc(-c2cn(CCN3CC[C@H]([NH+](C)C)C3)nn2)cs1 ZINC000887467318 688431221 /nfs/dbraw/zinc/43/12/21/688431221.db2.gz NBZWFHVDUDHGPJ-AWEZNQCLSA-N 1 0 361.519 2.026 20 30 FEEDRO C[C@H]1C[N@H+](CCCNC(=O)Nc2nc(Cl)c(C#N)s2)CCCO1 ZINC000888419332 688608662 /nfs/dbraw/zinc/60/86/62/688608662.db2.gz OVXGAIJQXIUGOL-JTQLQIEISA-N 1 0 357.867 2.291 20 30 FEEDRO CC1([NH+]2CCOCC2)CCN(C(=O)Nc2nc(Cl)c(C#N)s2)CC1 ZINC000888426110 688610385 /nfs/dbraw/zinc/61/03/85/688610385.db2.gz KZNGYXDBJHYBAT-UHFFFAOYSA-N 1 0 369.878 2.387 20 30 FEEDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)NCc1nc(C#N)cs1 ZINC000894231967 689491173 /nfs/dbraw/zinc/49/11/73/689491173.db2.gz AOXKLFWLWMGWJO-CZUORRHYSA-N 1 0 355.467 2.334 20 30 FEEDRO C=C(Br)CNCc1cn(C)nc1I ZINC000894241481 689492424 /nfs/dbraw/zinc/49/24/24/689492424.db2.gz JAKMTJSUGDIUBE-UHFFFAOYSA-N 1 0 356.005 2.023 20 30 FEEDRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N(C)Cc1cc(C#N)cs1 ZINC000895666969 689751699 /nfs/dbraw/zinc/75/16/99/689751699.db2.gz USQQFYZIFSVIRB-AWEZNQCLSA-N 1 0 351.520 2.033 20 30 FEEDRO C=CCN1CCN(C[N@H+]2CC[C@H](CCNC(=O)OC(C)(C)C)C2)C1=O ZINC000902457506 690767673 /nfs/dbraw/zinc/76/76/73/690767673.db2.gz UAWSWVLCJNXASM-HNNXBMFYSA-N 1 0 352.479 2.104 20 30 FEEDRO CC[C@@H]([NH2+]CCS(=O)(=O)NC[C@@H]1CCCCO1)c1cccc(C#N)c1 ZINC000902863399 690814706 /nfs/dbraw/zinc/81/47/06/690814706.db2.gz YPTNVFCFGXETTF-ZWKOTPCHSA-N 1 0 365.499 2.087 20 30 FEEDRO CC(C)CS(=O)(=O)N1CCC([NH2+][C@H](C)c2cc(C#N)ccn2)CC1 ZINC000902928955 690821728 /nfs/dbraw/zinc/82/17/28/690821728.db2.gz ZOXQQRJGKFZBLY-CQSZACIVSA-N 1 0 350.488 2.054 20 30 FEEDRO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1COCC[C@H]1[NH2+]Cc1nc(C#N)cs1 ZINC000903262685 690876371 /nfs/dbraw/zinc/87/63/71/690876371.db2.gz GRVUZKMSIBGKNO-FPMFFAJLSA-N 1 0 366.487 2.423 20 30 FEEDRO C=CCC[C@@H]([NH2+][C@H]1CCS(=O)(=O)C2(CC(C(=O)OC)C2)C1)C1CC1 ZINC000903451630 690895407 /nfs/dbraw/zinc/89/54/07/690895407.db2.gz HXSQMPZBKVLOML-BNQMIIOLSA-N 1 0 355.500 2.220 20 30 FEEDRO C[C@H]1CCCN(S(=O)(=O)c2ccc(Br)c(C#N)c2)[C@H]1C[NH3+] ZINC000903485670 690898892 /nfs/dbraw/zinc/89/88/92/690898892.db2.gz CZQMUGCVPFMKEE-HZMBPMFUSA-N 1 0 372.288 2.069 20 30 FEEDRO Cc1cc(C#N)cc(C)c1CS(=O)(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000903517452 690908014 /nfs/dbraw/zinc/90/80/14/690908014.db2.gz CCVLNFDKTRWVQB-GOSISDBHSA-N 1 0 361.511 2.326 20 30 FEEDRO Cc1cc(C#N)cc(C)c1CS(=O)(=O)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000903522250 690910255 /nfs/dbraw/zinc/91/02/55/690910255.db2.gz QTXKLEREBQOFRE-IEBWSBKVSA-N 1 0 361.511 2.469 20 30 FEEDRO N#Cc1cc(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@H]([NH3+])C2)ccc1Cl ZINC000903579306 690928355 /nfs/dbraw/zinc/92/83/55/690928355.db2.gz NFZSRXXZPSUSSZ-ZYHUDNBSSA-N 1 0 367.780 2.112 20 30 FEEDRO Cc1ccc(S(=O)(=O)N2C[C@H](C[NH3+])Cc3cc(F)ccc32)c(C#N)c1 ZINC000903588365 690933194 /nfs/dbraw/zinc/93/31/94/690933194.db2.gz KVTRPGYNCOWZPO-ZDUSSCGKSA-N 1 0 359.426 2.332 20 30 FEEDRO N#CC1(C[C@H](O)C[NH2+]CC[C@H]2CC[C@H](C(F)(F)F)O2)CCOCC1 ZINC000905556482 691140057 /nfs/dbraw/zinc/14/00/57/691140057.db2.gz NAMOVJXNZQUQGZ-BFHYXJOUSA-N 1 0 350.381 2.147 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H]2CCSC3(CCC3)C2)nc1 ZINC000905601253 691149329 /nfs/dbraw/zinc/14/93/29/691149329.db2.gz OMFGSILHSXUCIX-CQSZACIVSA-N 1 0 351.497 2.135 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1nnn(C)c1C(F)(F)F)C(C)C ZINC000906675229 691300409 /nfs/dbraw/zinc/30/04/09/691300409.db2.gz SXHFHRYJGGEVGE-GFCCVEGCSA-N 1 0 359.396 2.262 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)Nc1ccc(C)c(S(=O)(=O)NC2CC2)c1C ZINC000908277092 691650294 /nfs/dbraw/zinc/65/02/94/691650294.db2.gz ATOQYMHJIJQJNI-UHFFFAOYSA-N 1 0 365.499 2.191 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)Nc1cccc(S(=O)(=O)C2CCOCC2)c1 ZINC000908448168 691680768 /nfs/dbraw/zinc/68/07/68/691680768.db2.gz WISFAGAIJOZYQJ-UHFFFAOYSA-N 1 0 366.483 2.086 20 30 FEEDRO C=CCn1c(Cc2nc(C)cs2)nnc1N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC000908690889 691714009 /nfs/dbraw/zinc/71/40/09/691714009.db2.gz AUIHSHHYDIJLPA-KDOFPFPSSA-N 1 0 358.515 2.208 20 30 FEEDRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc(C(C)C)ccc3C#N)CC[C@@H]2C1 ZINC001164855073 720837627 /nfs/dbraw/zinc/83/76/27/720837627.db2.gz SRUXYDDBGZPOIQ-IEBWSBKVSA-N 1 0 358.486 2.250 20 30 FEEDRO Cc1cnc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c(C=NO)c1 ZINC001164877037 721123316 /nfs/dbraw/zinc/12/33/16/721123316.db2.gz OFEXVUDMUYUOPJ-MOPGFXCFSA-N 1 0 367.453 2.073 20 30 FEEDRO Cc1nc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)ccc1CC#N ZINC001164880933 721156183 /nfs/dbraw/zinc/15/61/83/721156183.db2.gz XWMRUFATBLHSFS-VQTJNVASSA-N 1 0 363.465 2.331 20 30 FEEDRO Cc1cnc(N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)c(C#N)c1 ZINC001164887197 721387013 /nfs/dbraw/zinc/38/70/13/721387013.db2.gz HHGRTRHEPGNZPW-TZIWHRDSSA-N 1 0 369.513 2.027 20 30 FEEDRO N#Cc1cnc2cc[nH]c(N3C[C@H]4C[NH+](Cc5nccs5)C[C@@H]4C3)c1-2 ZINC001164789011 721422369 /nfs/dbraw/zinc/42/23/69/721422369.db2.gz UFCJGNZXABROAG-ZIAGYGMSSA-N 1 0 350.451 2.459 20 30 FEEDRO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2C(F)(F)c1nc(Cl)ccc1C#N ZINC001164928286 721865673 /nfs/dbraw/zinc/86/56/73/721865673.db2.gz YBIQKVKQBGVZQJ-KGLIPLIRSA-N 1 0 369.847 2.366 20 30 FEEDRO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2c1nc(Cl)cc(Cl)c1C#N ZINC001164932883 721887475 /nfs/dbraw/zinc/88/74/75/721887475.db2.gz KEIMEBYVBHIQJO-KBPBESRZSA-N 1 0 354.285 2.475 20 30 FEEDRO Cc1cc(C#N)cc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164980351 722150162 /nfs/dbraw/zinc/15/01/62/722150162.db2.gz NEEFZUIUTZFUSB-PMACEKPBSA-N 1 0 363.465 2.384 20 30 FEEDRO Cn1cc(C[NH2+]C[C@@H]2CN3CCCC[C@@H]3CO2)c(-c2ccc(C#N)cc2)n1 ZINC000359998504 210204894 /nfs/dbraw/zinc/20/48/94/210204894.db2.gz XDQWURAMHSJKFN-WOJBJXKFSA-N 1 0 365.481 2.302 20 30 FEEDRO Cn1cc(C[NH2+]C[C@H]2CN3CCCC[C@@H]3CO2)c(-c2ccc(C#N)cc2)n1 ZINC000359998502 210204634 /nfs/dbraw/zinc/20/46/34/210204634.db2.gz XDQWURAMHSJKFN-UXHICEINSA-N 1 0 365.481 2.302 20 30 FEEDRO C=CCN1C(=O)c2ccc(C(=O)N[C@H](C)C[NH+]3CCCCC3)cc2C1=O ZINC000027751192 539816638 /nfs/dbraw/zinc/81/66/38/539816638.db2.gz SYSJSLPOYFCLFG-CQSZACIVSA-N 1 0 355.438 2.073 20 30 FEEDRO Cc1sc(NC(=O)C[NH2+][C@@H](C2CC2)[C@]2(CO)CCCO2)c(C#N)c1C ZINC000550141621 674083269 /nfs/dbraw/zinc/08/32/69/674083269.db2.gz ZVPGUIHFCVUERJ-FUHWJXTLSA-N 1 0 363.483 2.085 20 30 FEEDRO C=CCOc1ccc(C(=O)NCCCN2CC[NH+](CC)CC2)cc1OC ZINC000041442488 540021551 /nfs/dbraw/zinc/02/15/51/540021551.db2.gz HOHXBVGRHLTWOF-UHFFFAOYSA-N 1 0 361.486 2.017 20 30 FEEDRO CC(=O)Nc1ccc(OC[C@@H](O)C[N@@H+](C)Cc2ccc(C#N)cc2)cc1 ZINC000042123115 540052271 /nfs/dbraw/zinc/05/22/71/540052271.db2.gz GSRUYHUKFFCASM-IBGZPJMESA-N 1 0 353.422 2.388 20 30 FEEDRO C[C@@H]1CCC[N@H+](CCNC(=O)N2CCN(c3cccc(F)c3C#N)CC2)C1 ZINC000046380715 540254787 /nfs/dbraw/zinc/25/47/87/540254787.db2.gz XQJMPSMPIYCXJS-MRXNPFEDSA-N 1 0 373.476 2.261 20 30 FEEDRO COc1cc(C#N)ccc1OCCCC(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000046997745 540283682 /nfs/dbraw/zinc/28/36/82/540283682.db2.gz MMFVHQMEAIRVPP-DLBZAZTESA-N 1 0 357.454 2.469 20 30 FEEDRO COc1ccc(C#N)cc1NC(=O)C(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000050173424 540402364 /nfs/dbraw/zinc/40/23/64/540402364.db2.gz ZLZGOJVCLQWRFN-VLIAUNLRSA-N 1 0 372.469 2.132 20 30 FEEDRO CC(=O)NC1CC[NH+](CCC(=O)Nc2sc3c(c2C#N)CCC3)CC1 ZINC000050991374 540418323 /nfs/dbraw/zinc/41/83/23/540418323.db2.gz IDBNYDBAJPEZLJ-UHFFFAOYSA-N 1 0 360.483 2.038 20 30 FEEDRO C=C(C)COc1cc(C[NH2+]CCCNS(=O)(=O)CC)ccc1OC ZINC000051189093 540425863 /nfs/dbraw/zinc/42/58/63/540425863.db2.gz QMYLPSAXUAQFFK-UHFFFAOYSA-N 1 0 356.488 2.069 20 30 FEEDRO CCCCNC(=O)[C@H]1CCC[N@H+](C[C@H](O)COc2ccc(CC#N)cc2)C1 ZINC000051581396 540438684 /nfs/dbraw/zinc/43/86/84/540438684.db2.gz PPCSUGZUBPJMGB-OALUTQOASA-N 1 0 373.497 2.121 20 30 FEEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000054286798 540580823 /nfs/dbraw/zinc/58/08/23/540580823.db2.gz ULANWCGWGMEQSE-CQSZACIVSA-N 1 0 372.513 2.423 20 30 FEEDRO C[C@@H]1CCC[N@H+](Cc2ccc(CNS(=O)(=O)N(C)CCC#N)cc2)C1 ZINC000056058514 540697886 /nfs/dbraw/zinc/69/78/86/540697886.db2.gz KFZQCEJVCREUMC-MRXNPFEDSA-N 1 0 364.515 2.098 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)Nc2nc(-c3c[nH]c(C(=O)OC)c3)cs2)CC1 ZINC000057154380 540773379 /nfs/dbraw/zinc/77/33/79/540773379.db2.gz PXFDAIRXZSYGOD-UHFFFAOYSA-N 1 0 372.450 2.209 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N[C@H](c2nccn2C)c2cccc(F)c2)CC1 ZINC000057154062 540773384 /nfs/dbraw/zinc/77/33/84/540773384.db2.gz RRLWWAXUIUQFDU-SFHVURJKSA-N 1 0 354.429 2.110 20 30 FEEDRO COCc1nc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cs1 ZINC000065065382 541224884 /nfs/dbraw/zinc/22/48/84/541224884.db2.gz BYCHIGVMMQKCDX-UHFFFAOYSA-N 1 0 358.467 2.365 20 30 FEEDRO C[NH+](C)[C@@H](CNC(=O)c1ccc(-n2ncc(C#N)c2N)cc1)c1ccccc1 ZINC000066239666 541293608 /nfs/dbraw/zinc/29/36/08/541293608.db2.gz YGLALBJECONHEA-IBGZPJMESA-N 1 0 374.448 2.359 20 30 FEEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(-n2cnnc2)cc1 ZINC000066641257 541353394 /nfs/dbraw/zinc/35/33/94/541353394.db2.gz FSYDIYWLEOPLLK-UHFFFAOYSA-N 1 0 374.448 2.343 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N(CCC)CC(=O)Nc2ccccc2OC)CC1 ZINC000067144600 541423926 /nfs/dbraw/zinc/42/39/26/541423926.db2.gz WGVULYUHIWYRPD-UHFFFAOYSA-N 1 0 371.481 2.218 20 30 FEEDRO N#Cc1nc(NCCCC[NH+]2CCN(c3ncccn3)CC2)ccc1Cl ZINC000067372087 541451007 /nfs/dbraw/zinc/45/10/07/541451007.db2.gz VBFMIRPZICOYQC-UHFFFAOYSA-N 1 0 371.876 2.411 20 30 FEEDRO C=C(C)COc1cccc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000067568003 541482103 /nfs/dbraw/zinc/48/21/03/541482103.db2.gz XIOBLOATZGIGJR-QGZVFWFLSA-N 1 0 357.454 2.277 20 30 FEEDRO N#CCN1CCC(NC(=O)NC[C@@H]2CCC[N@@H+]2CC2CCCCC2)CC1 ZINC000067480595 541469946 /nfs/dbraw/zinc/46/99/46/541469946.db2.gz AGWFXENUZMWAGN-IBGZPJMESA-N 1 0 361.534 2.318 20 30 FEEDRO Cc1noc(C)c1CON=C(N)c1ccccc1C[NH+]1CCC(O)CC1 ZINC000068776660 541626415 /nfs/dbraw/zinc/62/64/15/541626415.db2.gz CWQAICZODXROJL-UHFFFAOYSA-N 1 0 358.442 2.085 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCC[C@@]2(CNC(=O)C2)C1 ZINC000072831960 541875729 /nfs/dbraw/zinc/87/57/29/541875729.db2.gz YMMMDAOSWPSXHW-HNAYVOBHSA-N 1 0 361.511 2.253 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)CN1C(=O)c2ccccc2C1=O)C(C)C ZINC000073707213 541989068 /nfs/dbraw/zinc/98/90/68/541989068.db2.gz DJZUWRRORMRDAH-SFHVURJKSA-N 1 0 369.465 2.097 20 30 FEEDRO CC(C)[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N[C@H](C)c1ccc(F)c(F)c1 ZINC000074718001 542115233 /nfs/dbraw/zinc/11/52/33/542115233.db2.gz IWFIIDZWVYJTCW-OLZOCXBDSA-N 1 0 373.469 2.404 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N[C@@H](c2nc(-c3cccnc3)no2)C(C)C)CC1 ZINC000076141462 542236783 /nfs/dbraw/zinc/23/67/83/542236783.db2.gz ADASOKOMJQHCTA-QGZVFWFLSA-N 1 0 367.453 2.290 20 30 FEEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000076333665 542262626 /nfs/dbraw/zinc/26/26/26/542262626.db2.gz NSRRVZOUTOOPKJ-KGLIPLIRSA-N 1 0 372.494 2.230 20 30 FEEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000076333664 542262813 /nfs/dbraw/zinc/26/28/13/542262813.db2.gz NSRRVZOUTOOPKJ-UONOGXRCSA-N 1 0 372.494 2.230 20 30 FEEDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2OCC)C1 ZINC000076660049 542307642 /nfs/dbraw/zinc/30/76/42/542307642.db2.gz IEARKCSKVVDGSU-INIZCTEOSA-N 1 0 372.469 2.086 20 30 FEEDRO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CC[NH+](CC2CC2)CC1 ZINC000077196176 542353473 /nfs/dbraw/zinc/35/34/73/542353473.db2.gz NHSRPKSSQNTGDI-ZDUSSCGKSA-N 1 0 358.511 2.463 20 30 FEEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000077644309 542404355 /nfs/dbraw/zinc/40/43/55/542404355.db2.gz NWBAWILDIXZIJJ-UHFFFAOYSA-N 1 0 369.513 2.283 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cc(C)nn2C(C)(C)C)CC1 ZINC000077759522 542415991 /nfs/dbraw/zinc/41/59/91/542415991.db2.gz ROFHWBSDMKCLHB-UHFFFAOYSA-N 1 0 361.490 2.042 20 30 FEEDRO C#CCOc1cc(F)ccc1NC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000078620010 542472969 /nfs/dbraw/zinc/47/29/69/542472969.db2.gz HGZCBTAJTRKQSU-OAHLLOKOSA-N 1 0 361.417 2.024 20 30 FEEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H]1CCN(CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000801959047 674157013 /nfs/dbraw/zinc/15/70/13/674157013.db2.gz FXKHXBFSPFAGRR-ZLIFDBKOSA-N 1 0 351.853 2.342 20 30 FEEDRO C=CCOCCCC(=O)Nc1ccccc1C[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000079862163 542545720 /nfs/dbraw/zinc/54/57/20/542545720.db2.gz FTYPBEANDQYLMI-KRWDZBQOSA-N 1 0 359.470 2.305 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)[C@@H]2CCC(=O)N2Cc2ccc(C)cc2)CC1 ZINC000080079321 542563147 /nfs/dbraw/zinc/56/31/47/542563147.db2.gz FESALGGZZXMGRQ-IBGZPJMESA-N 1 0 355.482 2.253 20 30 FEEDRO [NH2+]=C(NCc1ccc(Cn2cncn2)cc1)N[C@H]1CCOc2ccccc21 ZINC000083030455 542690323 /nfs/dbraw/zinc/69/03/23/542690323.db2.gz HZNPTIYJAFSLFR-SFHVURJKSA-N 1 0 362.437 2.255 20 30 FEEDRO Cc1ccc(NC(=O)N(CCC#N)CCC[NH+](C)C)cc1S(C)(=O)=O ZINC000089312863 542760731 /nfs/dbraw/zinc/76/07/31/542760731.db2.gz BQQGWMSEKVPCNL-UHFFFAOYSA-N 1 0 366.487 2.098 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)C[C@H]2OCCc3ccccc32)c1C#N ZINC000089677688 542768472 /nfs/dbraw/zinc/76/84/72/542768472.db2.gz QVTJKSBOVPNNAY-QGZVFWFLSA-N 1 0 353.426 2.076 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2oc3c(c2C)C(=O)CCC3)c1C#N ZINC000089662091 542768556 /nfs/dbraw/zinc/76/85/56/542768556.db2.gz VAAPLZBUMWZTBS-UHFFFAOYSA-N 1 0 355.398 2.106 20 30 FEEDRO C[C@H]1C[NH+](C(C)(C)CNC(=O)Cc2cccc(OCC#N)c2)C[C@H](C)O1 ZINC000089649766 542767645 /nfs/dbraw/zinc/76/76/45/542767645.db2.gz VKEZGVFDHDDWAV-HOTGVXAUSA-N 1 0 359.470 2.135 20 30 FEEDRO C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)CCCc1[nH]nc(N)c1C#N ZINC000089942837 542775851 /nfs/dbraw/zinc/77/58/51/542775851.db2.gz VUYNKBPWKDNMNM-UHFFFAOYSA-N 1 0 358.402 2.105 20 30 FEEDRO CN(CCCc1[nH]nc(N)c1C#N)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000091626802 542816611 /nfs/dbraw/zinc/81/66/11/542816611.db2.gz AIWYQYFLXIJFFA-UHFFFAOYSA-N 1 0 355.446 2.022 20 30 FEEDRO CNS(=O)(=O)c1ccccc1N1CC[NH+](CC(C)(C)CCC#N)CC1 ZINC000093049216 542905251 /nfs/dbraw/zinc/90/52/51/542905251.db2.gz PUTAOPGHEZVBMY-UHFFFAOYSA-N 1 0 364.515 2.047 20 30 FEEDRO C[C@H](CNC(=O)N1CCN(c2ccc(C#N)cc2F)CC1)C[NH+]1CCCC1 ZINC000101796506 543046233 /nfs/dbraw/zinc/04/62/33/543046233.db2.gz PZQHATSJENZLNU-MRXNPFEDSA-N 1 0 373.476 2.261 20 30 FEEDRO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000103284920 543101239 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C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(F)cc2OCC)CC1 ZINC000106349151 543224788 /nfs/dbraw/zinc/22/47/88/543224788.db2.gz OREXSSGDZGXFEP-UHFFFAOYSA-N 1 0 363.433 2.320 20 30 FEEDRO CC[NH+]1CCN(c2ccc(CNC(=O)N3CCC(C#N)CC3)cc2F)CC1 ZINC000106584822 543240295 /nfs/dbraw/zinc/24/02/95/543240295.db2.gz IVTHOUMKVTYKNJ-UHFFFAOYSA-N 1 0 373.476 2.413 20 30 FEEDRO Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+](C(C)C)C3CCCC3)CC2)o1 ZINC000108365707 543287582 /nfs/dbraw/zinc/28/75/82/543287582.db2.gz VZGFXHOLBMHCBL-UHFFFAOYSA-N 1 0 359.474 2.156 20 30 FEEDRO C=C(C)COc1cccc(NC(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)c1 ZINC000108617690 543298216 /nfs/dbraw/zinc/29/82/16/543298216.db2.gz UJYARQCMLKFGKS-KRWDZBQOSA-N 1 0 357.454 2.181 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N[C@H](C)c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000108934000 543309055 /nfs/dbraw/zinc/30/90/55/543309055.db2.gz CYZCYFAJLMFZJE-CQSZACIVSA-N 1 0 360.454 2.235 20 30 FEEDRO CC[N@@H+]1CC[C@@H](CNC(=O)CCC(=O)N(CCC#N)c2ccccc2)C1 ZINC000109259249 543319395 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20 30 FEEDRO COc1cc(C#N)ccc1OCCCC(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000116194744 543604131 /nfs/dbraw/zinc/60/41/31/543604131.db2.gz JVICQKAVRCMXRR-UHFFFAOYSA-N 1 0 357.454 2.423 20 30 FEEDRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000118113910 543645922 /nfs/dbraw/zinc/64/59/22/543645922.db2.gz NLWWFZYRTGEISZ-MRXNPFEDSA-N 1 0 360.433 2.407 20 30 FEEDRO C=CC[C@H](C)NC(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000116971448 543620490 /nfs/dbraw/zinc/62/04/90/543620490.db2.gz BLFPLCBEYJLEDO-YJBOKZPZSA-N 1 0 358.486 2.148 20 30 FEEDRO Cc1nc(C#N)c(N2CCN(C(=O)C[NH2+][C@H]3CCC(C)(C)C[C@@H]3C)CC2)o1 ZINC000120980179 543687399 /nfs/dbraw/zinc/68/73/99/543687399.db2.gz RFXGQFRNZUJZMO-HOCLYGCPSA-N 1 0 373.501 2.308 20 30 FEEDRO CN(CCC[NH+](C)C)C(=O)C(=O)Nc1cccc(C#Cc2ccccc2)c1 ZINC000121024741 543687843 /nfs/dbraw/zinc/68/78/43/543687843.db2.gz DWIUSUIURHEALC-UHFFFAOYSA-N 1 0 363.461 2.435 20 30 FEEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000118898985 543661858 /nfs/dbraw/zinc/66/18/58/543661858.db2.gz YXSRGFOMCATKJQ-LSDHHAIUSA-N 1 0 374.510 2.477 20 30 FEEDRO C#CCCCCC(=O)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000119823307 543672742 /nfs/dbraw/zinc/67/27/42/543672742.db2.gz LYBIKAHTNOKEDY-IBGZPJMESA-N 1 0 355.482 2.194 20 30 FEEDRO C#CCCCCC(=O)NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000119823473 543672892 /nfs/dbraw/zinc/67/28/92/543672892.db2.gz LYBIKAHTNOKEDY-LJQANCHMSA-N 1 0 355.482 2.194 20 30 FEEDRO C[C@@H](C#N)Oc1ccc(C[NH+]2CCC(NC(=O)C3CCOCC3)CC2)cc1 ZINC000120079050 543675476 /nfs/dbraw/zinc/67/54/76/543675476.db2.gz CXKCQUTZQAVTJY-INIZCTEOSA-N 1 0 371.481 2.485 20 30 FEEDRO C[C@H]1C[C@H](N(C)C(=O)C(=O)Nc2cccc(OCCCC#N)c2)CC[N@@H+]1C ZINC000120551275 543681290 /nfs/dbraw/zinc/68/12/90/543681290.db2.gz KKSPADLPURQOSF-DOTOQJQBSA-N 1 0 372.469 2.249 20 30 FEEDRO CC[NH+](CC)CCn1ccc2cc(NC(=O)C(=O)N[C@H](C)CC#N)ccc21 ZINC000123084599 543741073 /nfs/dbraw/zinc/74/10/73/543741073.db2.gz FPSBVYCVFOEXQU-OAHLLOKOSA-N 1 0 369.469 2.340 20 30 FEEDRO Cc1ccc(Cl)c(NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C)c1 ZINC000122098791 543703233 /nfs/dbraw/zinc/70/32/33/543703233.db2.gz RCFBONSXLHCBQX-UHFFFAOYSA-N 1 0 350.850 2.281 20 30 FEEDRO CCC[N@@H+]1CC[C@@H](CNC(=O)N2CCN(c3ccccc3C#N)CC2)C1 ZINC000123373263 543757745 /nfs/dbraw/zinc/75/77/45/543757745.db2.gz QOCALLAWSMFYCI-KRWDZBQOSA-N 1 0 355.486 2.122 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc3cnn(CC)c3c2)CC1 ZINC000124544229 543828428 /nfs/dbraw/zinc/82/84/28/543828428.db2.gz QSYYIQCRKLCANT-UHFFFAOYSA-N 1 0 369.469 2.151 20 30 FEEDRO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC[C@@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000125343564 543876732 /nfs/dbraw/zinc/87/67/32/543876732.db2.gz GFMOKXTUDURLEH-JFIYKMOQSA-N 1 0 372.513 2.193 20 30 FEEDRO C=CCC[C@@H](O)C[N@H+]1CCC[C@@H](CNS(=O)(=O)c2ccc(C)cc2)C1 ZINC000126273318 543927321 /nfs/dbraw/zinc/92/73/21/543927321.db2.gz SBIUOBPXFCJHKZ-ZWKOTPCHSA-N 1 0 366.527 2.312 20 30 FEEDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2c(F)cc(C#N)cc2F)[C@H](C)C1 ZINC000125647570 543893588 /nfs/dbraw/zinc/89/35/88/543893588.db2.gz FYEBJMIGXKTTNU-ABAIWWIYSA-N 1 0 357.426 2.187 20 30 FEEDRO N#Cc1cc(F)c(S(=O)(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)c(F)c1 ZINC000125707478 543897501 /nfs/dbraw/zinc/89/75/01/543897501.db2.gz CQYSWBPIJUFFBM-ZDUSSCGKSA-N 1 0 369.437 2.333 20 30 FEEDRO Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)nc2)c(OCC[NH+](C)C)c1 ZINC000127396248 543990221 /nfs/dbraw/zinc/99/02/21/543990221.db2.gz ZCBMNEVVTZTSDQ-UHFFFAOYSA-N 1 0 360.439 2.003 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(OC)c(C)c(OC)c2)c1C#N ZINC000128142737 544035202 /nfs/dbraw/zinc/03/52/02/544035202.db2.gz RTVSPIXSQDCNBF-UHFFFAOYSA-N 1 0 357.414 2.011 20 30 FEEDRO Cc1noc(C)c1[C@@H](C)CNC(=[NH2+])N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000130756672 544163849 /nfs/dbraw/zinc/16/38/49/544163849.db2.gz MSEUQQLEKFYJPQ-LBPRGKRZSA-N 1 0 365.478 2.262 20 30 FEEDRO CCN(CC)c1ccc(/C=[NH+]/C[C@H]2CCCN2S(C)(=O)=O)c(O)c1 ZINC000133106633 544256605 /nfs/dbraw/zinc/25/66/05/544256605.db2.gz OKFSXRHFMBPVCW-YAJBTMAUSA-N 1 0 353.488 2.081 20 30 FEEDRO C[C@H]1CCC[N@H+](CCCCNC(=O)C(=O)Nc2ccc(C#N)cc2F)C1 ZINC000135835343 544361724 /nfs/dbraw/zinc/36/17/24/544361724.db2.gz KOXGYATVZMXTMU-AWEZNQCLSA-N 1 0 360.433 2.264 20 30 FEEDRO C[C@@H]1CCC[C@@](CNC(=O)C(=O)Nc2ccc(C#N)cc2F)([NH+](C)C)C1 ZINC000136022947 544364951 /nfs/dbraw/zinc/36/49/51/544364951.db2.gz WUCYODDCGWBQRS-BFUOFWGJSA-N 1 0 360.433 2.263 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)NCc2ccc(-n3cnc4ccccc43)nc2)CC1 ZINC000143556363 544423722 /nfs/dbraw/zinc/42/37/22/544423722.db2.gz ZHGMOUZCZZLEKU-UHFFFAOYSA-N 1 0 373.460 2.382 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2CCC[C@H]2C[NH+]2CCCCC2)c(F)c1 ZINC000151146578 544509765 /nfs/dbraw/zinc/50/97/65/544509765.db2.gz FQXLIQRFZKREKS-HNNXBMFYSA-N 1 0 351.447 2.336 20 30 FEEDRO CN1CCN([C@@H]2CCCC[N@H+](CCCOc3ccc(C#N)cc3)C2)CC1 ZINC000152296674 544635282 /nfs/dbraw/zinc/63/52/82/544635282.db2.gz ACWRVIFLPSRTPF-HXUWFJFHSA-N 1 0 356.514 2.429 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(C(F)(F)F)nc2)CC1 ZINC000152430134 544653114 /nfs/dbraw/zinc/65/31/14/544653114.db2.gz CEMDFDBCQXZEEO-UHFFFAOYSA-N 1 0 370.375 2.196 20 30 FEEDRO Cc1cccc(C)c1NC(=O)[C@H](C)[N@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000153328478 544762623 /nfs/dbraw/zinc/76/26/23/544762623.db2.gz GCGLQKYZPBTZAH-AWEZNQCLSA-N 1 0 354.458 2.372 20 30 FEEDRO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@]3(CCOC3)C2)cc1 ZINC000153761522 544819810 /nfs/dbraw/zinc/81/98/10/544819810.db2.gz WWAXRAGVZYKQDI-FQEVSTJZSA-N 1 0 357.454 2.444 20 30 FEEDRO COc1ccc(CN(CCC#N)CCN2CCOCC2)cc1OC(F)F ZINC000154748342 544944703 /nfs/dbraw/zinc/94/47/03/544944703.db2.gz UAAAVIXMRCFUOJ-UHFFFAOYSA-N 1 0 369.412 2.344 20 30 FEEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(Cc2ccc(OC)cc2)CC1 ZINC000155172275 544997851 /nfs/dbraw/zinc/99/78/51/544997851.db2.gz LNXRQEVRMXOFED-HNNXBMFYSA-N 1 0 359.470 2.350 20 30 FEEDRO CCCN([C@H]1CC[NH2+]C1)S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000178930332 327616628 /nfs/dbraw/zinc/61/66/28/327616628.db2.gz CNEIZUVNJMAAIN-ZDUSSCGKSA-N 1 0 372.288 2.083 20 30 FEEDRO Cc1cccc(N2CC[NH+](CCCNC(=O)c3c[nH]c(C#N)c3)CC2)c1 ZINC000181204428 327720441 /nfs/dbraw/zinc/72/04/41/327720441.db2.gz QAJWZFCPUQPWPZ-UHFFFAOYSA-N 1 0 351.454 2.137 20 30 FEEDRO C[C@H]([NH2+]CC1CCN(S(=O)(=O)C(F)F)CC1)c1cccc(C#N)c1 ZINC000181953599 327754391 /nfs/dbraw/zinc/75/43/91/327754391.db2.gz VUNBPUIOBPKQBI-LBPRGKRZSA-N 1 0 357.426 2.473 20 30 FEEDRO CC[C@@H]([NH2+]CCOc1ccccc1C#N)c1cccc(S(N)(=O)=O)c1 ZINC000183031640 327798406 /nfs/dbraw/zinc/79/84/06/327798406.db2.gz HFDCXVSXWZQGAR-QGZVFWFLSA-N 1 0 359.451 2.325 20 30 FEEDRO N#Cc1cccnc1-n1cc(NC(=O)NC2CC[NH+](CC3CC3)CC2)cn1 ZINC000184604929 327875183 /nfs/dbraw/zinc/87/51/83/327875183.db2.gz NMLXPMJVPOSMJI-UHFFFAOYSA-N 1 0 365.441 2.135 20 30 FEEDRO COc1cc(C#N)ccc1S(=O)(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000185488665 327919135 /nfs/dbraw/zinc/91/91/35/327919135.db2.gz XGZFFOJUGGIWQK-UHFFFAOYSA-N 1 0 351.472 2.108 20 30 FEEDRO CO[C@@H]1CC[C@@H](NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000187858487 328050989 /nfs/dbraw/zinc/05/09/89/328050989.db2.gz CELIMSKVIUAERJ-RTBURBONSA-N 1 0 356.470 2.343 20 30 FEEDRO CCN(CCC[NH+]1CCCC1)C(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C ZINC000188105380 328066255 /nfs/dbraw/zinc/06/62/55/328066255.db2.gz NKEUQSMDNGVIGQ-UHFFFAOYSA-N 1 0 358.486 2.130 20 30 FEEDRO CC(C)Oc1ccc(NC(=O)C(=O)N(C)CC2([NH+](C)C)CCC2)cc1C#N ZINC000188243937 328075279 /nfs/dbraw/zinc/07/52/79/328075279.db2.gz ASCUURDRYIZEKA-UHFFFAOYSA-N 1 0 372.469 2.227 20 30 FEEDRO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000188672756 328103398 /nfs/dbraw/zinc/10/33/98/328103398.db2.gz VGJKSBVIZSMIOZ-VQIMIIECSA-N 1 0 373.497 2.265 20 30 FEEDRO N#Cc1ccc(CN2CCCN(C(=O)c3cncc(Cl)n3)CC2)cc1 ZINC000188918486 328117672 /nfs/dbraw/zinc/11/76/72/328117672.db2.gz HBLSTCNSLLHFPW-UHFFFAOYSA-N 1 0 355.829 2.350 20 30 FEEDRO Cc1cccc(NC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)c1C#N ZINC000189385289 328144824 /nfs/dbraw/zinc/14/48/24/328144824.db2.gz WJAUSOVZQYEWCB-MRXNPFEDSA-N 1 0 354.454 2.282 20 30 FEEDRO CCN(CCC[NH+]1CCCC1)C(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000189781524 328167448 /nfs/dbraw/zinc/16/74/48/328167448.db2.gz ZHUVBEXPWDUPML-UHFFFAOYSA-N 1 0 367.457 2.479 20 30 FEEDRO CCO[C@H]1C[C@](CO)([NH2+]CC(=O)Nc2sc(C)c(C)c2C#N)C1(C)C ZINC000190012870 328182371 /nfs/dbraw/zinc/18/23/71/328182371.db2.gz FGZAWYGARHMQSF-KBXCAEBGSA-N 1 0 365.499 2.331 20 30 FEEDRO CCO[C@H]1C[C@@](CO)([NH2+]CC(=O)Nc2sc(C)c(C)c2C#N)C1(C)C ZINC000190012830 328182503 /nfs/dbraw/zinc/18/25/03/328182503.db2.gz FGZAWYGARHMQSF-KSSFIOAISA-N 1 0 365.499 2.331 20 30 FEEDRO Cn1cc(CNc2ccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)cc2)cc1C#N ZINC000191421928 328264954 /nfs/dbraw/zinc/26/49/54/328264954.db2.gz LKOFCAACBSZPQL-QGZVFWFLSA-N 1 0 351.454 2.206 20 30 FEEDRO COc1ccnc(NC2CCN(Cc3cnc4ccc(C#N)cn34)CC2)n1 ZINC000191688382 328277200 /nfs/dbraw/zinc/27/72/00/328277200.db2.gz XLKCPCMRIXRSNQ-UHFFFAOYSA-N 1 0 363.425 2.081 20 30 FEEDRO CCN(C)c1ccc(C[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cn1 ZINC000192242656 328308654 /nfs/dbraw/zinc/30/86/54/328308654.db2.gz GJWCTGSTPYMKEK-IBGZPJMESA-N 1 0 363.465 2.300 20 30 FEEDRO COC(=O)Cn1ncc(NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1C ZINC000192990180 328351007 /nfs/dbraw/zinc/35/10/07/328351007.db2.gz GTTVLVGZSPROSD-UHFFFAOYSA-N 1 0 367.453 2.313 20 30 FEEDRO Cc1nc(C#N)c(N2CCC(C(=O)N(C)CC[C@H]3CCCC[N@@H+]3C)CC2)o1 ZINC000193369452 328370994 /nfs/dbraw/zinc/37/09/94/328370994.db2.gz NMZPODHWEBCTQJ-QGZVFWFLSA-N 1 0 373.501 2.404 20 30 FEEDRO CC[NH+](CC)CCCNC(=O)C1CCN(c2c(C#N)cccc2C#N)CC1 ZINC000195188595 328460691 /nfs/dbraw/zinc/46/06/91/328460691.db2.gz AHEXLSVUYFJPSJ-UHFFFAOYSA-N 1 0 367.497 2.494 20 30 FEEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000043977546 324554130 /nfs/dbraw/zinc/55/41/30/324554130.db2.gz OSRFYOSHXGFJMQ-UHFFFAOYSA-N 1 0 366.465 2.174 20 30 FEEDRO CCCNC(=O)C1([NH2+]C[C@H](O)COc2ccc(C#N)cc2)CCCCC1 ZINC000078656225 325056779 /nfs/dbraw/zinc/05/67/79/325056779.db2.gz ZETMBSCKTVOMII-KRWDZBQOSA-N 1 0 359.470 2.117 20 30 FEEDRO N#Cc1ccc(CSCC(=O)N2CC[NH+](C3CCOCC3)CC2)cc1 ZINC000081034822 325156337 /nfs/dbraw/zinc/15/63/37/325156337.db2.gz NOKGBBCNODULEL-UHFFFAOYSA-N 1 0 359.495 2.115 20 30 FEEDRO CCCC[C@H](C(=O)Nc1cc(C)on1)[N@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000089943452 325343775 /nfs/dbraw/zinc/34/37/75/325343775.db2.gz VQZWPWMJOWXKDS-OAHLLOKOSA-N 1 0 373.461 2.222 20 30 FEEDRO C[C@H](c1cn(-c2ccccc2)nn1)[N@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000089943663 325344005 /nfs/dbraw/zinc/34/40/05/325344005.db2.gz SJIJAZUYDUAKRG-CYBMUJFWSA-N 1 0 350.430 2.070 20 30 FEEDRO Cc1noc(C)c1CCNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000107395498 325627780 /nfs/dbraw/zinc/62/77/80/325627780.db2.gz GCLHYGZSYRMIIB-UHFFFAOYSA-N 1 0 369.469 2.479 20 30 FEEDRO C[C@H](Oc1cccnc1)C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000117771556 326070188 /nfs/dbraw/zinc/07/01/88/326070188.db2.gz RKHYLFJIACGUPF-INIZCTEOSA-N 1 0 352.438 2.311 20 30 FEEDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)C1 ZINC000118112934 326081904 /nfs/dbraw/zinc/08/19/04/326081904.db2.gz ICPUITMSKYTMRQ-ZDUSSCGKSA-N 1 0 362.861 2.387 20 30 FEEDRO CCC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)CC(=O)NC ZINC000118832515 326105727 /nfs/dbraw/zinc/10/57/27/326105727.db2.gz BCGJJTCDSSLQCV-UHFFFAOYSA-N 1 0 362.499 2.285 20 30 FEEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000119295190 326146495 /nfs/dbraw/zinc/14/64/95/326146495.db2.gz LVVLVMOIDJRBGH-YOEHRIQHSA-N 1 0 372.469 2.083 20 30 FEEDRO N#Cc1cc(S(=O)(=O)N2CCC([NH2+]CC3CC3)CC2)ccc1Cl ZINC000124680718 326458144 /nfs/dbraw/zinc/45/81/44/326458144.db2.gz GWNAARYBOQDVFK-UHFFFAOYSA-N 1 0 353.875 2.364 20 30 FEEDRO N#Cc1cc(F)ccc1S(=O)(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000152047284 326697563 /nfs/dbraw/zinc/69/75/63/326697563.db2.gz OVPGOJYZFGRWRC-INIZCTEOSA-N 1 0 351.447 2.336 20 30 FEEDRO C[NH+](C)C[C@@](C)(O)CNC(=O)c1cccc(COc2ccccc2C#N)c1 ZINC000152810583 326716900 /nfs/dbraw/zinc/71/69/00/326716900.db2.gz PPYGKBRSDASNJK-NRFANRHFSA-N 1 0 367.449 2.180 20 30 FEEDRO C[NH+](C)CC[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)C(C)(C)C ZINC000157656347 326871259 /nfs/dbraw/zinc/87/12/59/326871259.db2.gz HRBXNDKUWJJYPQ-HNNXBMFYSA-N 1 0 368.459 2.111 20 30 FEEDRO N#Cc1ccc(F)c(CS(=O)(=O)N2CCC[C@H]2C[NH+]2CCCCC2)c1 ZINC000162079749 327016489 /nfs/dbraw/zinc/01/64/89/327016489.db2.gz OUJLBQBGDHCQCG-KRWDZBQOSA-N 1 0 365.474 2.477 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)cn1 ZINC000170655554 327091464 /nfs/dbraw/zinc/09/14/64/327091464.db2.gz FROSOXKKCGNPHS-SFHVURJKSA-N 1 0 356.451 2.069 20 30 FEEDRO CC[N@H+](C)Cc1cccc(CNC(=O)CNC(=O)c2ccc(C#N)cc2)c1 ZINC000171115252 327118981 /nfs/dbraw/zinc/11/89/81/327118981.db2.gz IJVJNEZIROJKRV-UHFFFAOYSA-N 1 0 364.449 2.056 20 30 FEEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3O4)CC2)cc1 ZINC000172162607 327184857 /nfs/dbraw/zinc/18/48/57/327184857.db2.gz QVJLFCXNMHIARB-QRVBRYPASA-N 1 0 354.454 2.095 20 30 FEEDRO CNC(=O)CC1CC[NH+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000175041961 327370406 /nfs/dbraw/zinc/37/04/06/327370406.db2.gz PQEYSMLFECKNFL-UHFFFAOYSA-N 1 0 362.861 2.388 20 30 FEEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)S(=O)(=O)c1ccccc1C#N ZINC000178526987 327590712 /nfs/dbraw/zinc/59/07/12/327590712.db2.gz WCICQXYOFXVNCF-UHFFFAOYSA-N 1 0 368.462 2.182 20 30 FEEDRO Cc1nc(C(=O)NCCc2ccc(OCC[NH+](C)C)cc2)ccc1C#N ZINC000264205688 329000164 /nfs/dbraw/zinc/00/01/64/329000164.db2.gz IFPLMBJPCWHULB-UHFFFAOYSA-N 1 0 352.438 2.175 20 30 FEEDRO CC(C)N(C)C(=O)[C@@H](C)[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000266994067 329281012 /nfs/dbraw/zinc/28/10/12/329281012.db2.gz CTWWOSAHNGQJAI-OAHLLOKOSA-N 1 0 356.470 2.464 20 30 FEEDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CCCN(c2ccccc2C#N)CC1 ZINC000268161137 329391954 /nfs/dbraw/zinc/39/19/54/329391954.db2.gz OMJUKSYCYSTRSF-LPHOPBHVSA-N 1 0 367.497 2.263 20 30 FEEDRO C[C@H](NC(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1ccc(C#N)cc1 ZINC000268972496 329473985 /nfs/dbraw/zinc/47/39/85/329473985.db2.gz NOVJVJQFTDXOBG-ZOCIIQOWSA-N 1 0 356.470 2.296 20 30 FEEDRO CCOc1ccc(C#N)cc1NC(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000269228620 329498242 /nfs/dbraw/zinc/49/82/42/329498242.db2.gz XGSNNDIRSZALKB-MSOLQXFVSA-N 1 0 372.469 2.456 20 30 FEEDRO CS[C@H]1CN(C(=O)CCCC(=O)Nc2ccccc2C#N)C[C@@H]1[NH+](C)C ZINC000271145758 329666313 /nfs/dbraw/zinc/66/63/13/329666313.db2.gz PQMBTIACEYHKKR-IRXDYDNUSA-N 1 0 374.510 2.171 20 30 FEEDRO C[C@@H]([NH2+]CCCN1CCN(c2ncccn2)CC1)c1ccc(C#N)c(F)c1 ZINC000271908158 329736457 /nfs/dbraw/zinc/73/64/57/329736457.db2.gz CUFXYWRJZSNXRT-MRXNPFEDSA-N 1 0 368.460 2.350 20 30 FEEDRO C[C@@]1([NH2+]CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CCO[C@H]1C1CC1 ZINC000273007838 329829649 /nfs/dbraw/zinc/82/96/49/329829649.db2.gz BKWVOFHEESNCLC-AZUAARDMSA-N 1 0 365.437 2.230 20 30 FEEDRO CCc1nnc(C)cc1C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000273519388 329871368 /nfs/dbraw/zinc/87/13/68/329871368.db2.gz RPWSZAPCMXQIGI-UHFFFAOYSA-N 1 0 351.454 2.423 20 30 FEEDRO CS[C@@H]1CN([C@@H](C)C(=O)Nc2ccccc2C#N)C[C@H]1[NH+]1CCCC1 ZINC000274012232 329908679 /nfs/dbraw/zinc/90/86/79/329908679.db2.gz KZGYSKMJYHXUER-BMGDILEWSA-N 1 0 358.511 2.397 20 30 FEEDRO C[C@@H](O)C[NH+]1CCN(c2c(C#N)cnc3ccc(OC(F)F)cc32)CC1 ZINC000275842595 330095179 /nfs/dbraw/zinc/09/51/79/330095179.db2.gz QDHLTHPWXRLHIB-GFCCVEGCSA-N 1 0 362.380 2.211 20 30 FEEDRO CCCN(CC[NH+](CC)CC)C(=O)C(=O)Nc1cc(C#N)ccc1OC ZINC000275851364 330096218 /nfs/dbraw/zinc/09/62/18/330096218.db2.gz AEZWWAQIZOQYBV-UHFFFAOYSA-N 1 0 360.458 2.086 20 30 FEEDRO Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)NCC[N@H+]3CCCC[C@H]3C)C2)n1 ZINC000377932280 330252895 /nfs/dbraw/zinc/25/28/95/330252895.db2.gz OEKKYTXHUKKCDX-IEBWSBKVSA-N 1 0 369.513 2.469 20 30 FEEDRO COc1ccc(C[N@@H+]2CCCN(C(=O)c3ccc(C#N)n3C)CC2)cc1 ZINC000448639726 330280228 /nfs/dbraw/zinc/28/02/28/330280228.db2.gz BIEZRBTZQJCZFN-UHFFFAOYSA-N 1 0 352.438 2.253 20 30 FEEDRO CC[N@@H+]1CCC[C@@H](CN(C)C(=O)C2(C(=O)NC)CC2)[C@@H]1c1cnn(C)c1 ZINC000328626165 521614311 /nfs/dbraw/zinc/61/43/11/521614311.db2.gz LLAOMJQUUGHLQL-GOEBONIOSA-N 1 0 361.490 2.018 20 30 FEEDRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000155928347 545584607 /nfs/dbraw/zinc/58/46/07/545584607.db2.gz NRJRRZONLOXIJR-OPYAIIAOSA-N 1 0 356.514 2.082 20 30 FEEDRO C[NH+](C)C[C@@H]1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)C1 ZINC000157557625 545754163 /nfs/dbraw/zinc/75/41/63/545754163.db2.gz RRWVVAZCODINSP-NSHDSACASA-N 1 0 361.389 2.149 20 30 FEEDRO CCC(C)(C)[NH2+][C@H](C)C(=O)N1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000477723710 561151919 /nfs/dbraw/zinc/15/19/19/561151919.db2.gz WUEYYULXTPZWDF-CKNLXJGOSA-N 1 0 354.454 2.025 20 30 FEEDRO CCOC(=O)C1(N(C)CC(=O)NCc2ccc(C#N)cc2)CCCCC1 ZINC000478039677 561158733 /nfs/dbraw/zinc/15/87/33/561158733.db2.gz IQGOOVHWYCQTRN-UHFFFAOYSA-N 1 0 357.454 2.372 20 30 FEEDRO COc1cc2c(cc1CN[C@@H](C(N)=O)c1ccc(C#N)cc1)O[C@@H](C)C2 ZINC000158883045 545902971 /nfs/dbraw/zinc/90/29/71/545902971.db2.gz NRJWYERWDROVBS-HXPMCKFVSA-N 1 0 351.406 2.206 20 30 FEEDRO C[NH+]=C(NCc1c(C)nn(-c2ccccc2)c1C)N[C@H]1C[C@H]2CC[C@@H]1O2 ZINC000159872318 545988422 /nfs/dbraw/zinc/98/84/22/545988422.db2.gz SUKUWMALEZYDEC-NEWSRXKRSA-N 1 0 353.470 2.474 20 30 FEEDRO CCCC[N@H+](C)CCNC(=O)C(=O)Nc1ccc(OC(C)C)c(C#N)c1 ZINC000161256557 546113655 /nfs/dbraw/zinc/11/36/55/546113655.db2.gz UXZITTKKYSERJP-UHFFFAOYSA-N 1 0 360.458 2.132 20 30 FEEDRO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1ccc(OC(C)C)c(C#N)c1 ZINC000161259335 546113870 /nfs/dbraw/zinc/11/38/70/546113870.db2.gz SUAUPGXVLBHYNG-AWEZNQCLSA-N 1 0 360.458 2.130 20 30 FEEDRO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCC[C@H](CCC(N)=O)C1 ZINC000170734787 546174042 /nfs/dbraw/zinc/17/40/42/546174042.db2.gz PBPZOYVRZZCCAI-DLBZAZTESA-N 1 0 356.470 2.299 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccc(CCN3CCOCC3)cc2)CC1 ZINC000171737695 546223438 /nfs/dbraw/zinc/22/34/38/546223438.db2.gz BGUGOCZGJQCVAS-UHFFFAOYSA-N 1 0 372.513 2.333 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N2CCC[C@@H](CNC(=O)C(C)(C)C)C2)CC1 ZINC000171870858 546228698 /nfs/dbraw/zinc/22/86/98/546228698.db2.gz TZPQCQREJYZBEF-INIZCTEOSA-N 1 0 364.534 2.221 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N(C)[C@@H]2CCN(c3ccccc3F)C2=O)CC1 ZINC000171944059 546230406 /nfs/dbraw/zinc/23/04/06/546230406.db2.gz HOOYJEMMRBGDDG-GOSISDBHSA-N 1 0 374.460 2.223 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C[C@@H](NC(C)=O)c2ccc(F)cc2F)CC1 ZINC000172908730 546270228 /nfs/dbraw/zinc/27/02/28/546270228.db2.gz CGUHLLDTQIQMFT-GOSISDBHSA-N 1 0 365.424 2.299 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cccc(OCC(C)C)c2)CC1 ZINC000173274307 546277177 /nfs/dbraw/zinc/27/71/77/546277177.db2.gz WJGVWAVLPNXGLR-UHFFFAOYSA-N 1 0 359.470 2.427 20 30 FEEDRO C=CCOc1ccccc1C(=O)N1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000173296362 546277786 /nfs/dbraw/zinc/27/77/86/546277786.db2.gz CYKRDVZLZZXWPO-GOSISDBHSA-N 1 0 357.498 2.494 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@H](C(CC)CC)N2CCOCC2)CC1 ZINC000173579618 546283565 /nfs/dbraw/zinc/28/35/65/546283565.db2.gz INKZJZZOSVRRKT-IBGZPJMESA-N 1 0 351.535 2.280 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N[C@H](C)c2ccc3c(c2)O[C@@H](CC)C(=O)N3)CC1 ZINC000174922601 546305298 /nfs/dbraw/zinc/30/52/98/546305298.db2.gz AQEQWLPMJBZPEH-KDOFPFPSSA-N 1 0 369.465 2.319 20 30 FEEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000175781899 546349829 /nfs/dbraw/zinc/34/98/29/546349829.db2.gz ZHFGFWFFBHKMNN-SFHVURJKSA-N 1 0 371.529 2.363 20 30 FEEDRO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccc(F)cc1C#N)C1CCCCC1 ZINC000175948217 546377937 /nfs/dbraw/zinc/37/79/37/546377937.db2.gz CDLGZCULOSQLKW-KRWDZBQOSA-N 1 0 360.433 2.263 20 30 FEEDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)Nc1ccc(F)cc1C#N ZINC000175969003 546381495 /nfs/dbraw/zinc/38/14/95/546381495.db2.gz HNMPWKLKPLYMCA-HZSPNIEDSA-N 1 0 360.433 2.118 20 30 FEEDRO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccc(F)cc1C#N)c1ccc(F)cc1 ZINC000175966748 546382161 /nfs/dbraw/zinc/38/21/61/546382161.db2.gz MGMQFMGTBQTJJD-KRWDZBQOSA-N 1 0 372.375 2.194 20 30 FEEDRO CC(C)OCC[NH+]1CCC(N[C@H](C)C(=O)Nc2cccc(C#N)c2)CC1 ZINC000177484664 546628692 /nfs/dbraw/zinc/62/86/92/546628692.db2.gz IVNBNXCRNQOPHG-MRXNPFEDSA-N 1 0 358.486 2.364 20 30 FEEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000177535231 546638912 /nfs/dbraw/zinc/63/89/12/546638912.db2.gz OAEIIIQLRUACOU-HUUCEWRRSA-N 1 0 374.510 2.429 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)cc1C(F)(F)F ZINC000177628877 546656015 /nfs/dbraw/zinc/65/60/15/546656015.db2.gz XVLAFCLERAADMZ-LLVKDONJSA-N 1 0 373.400 2.340 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccc(F)cc2CS(C)(=O)=O)CC1 ZINC000177993868 546718577 /nfs/dbraw/zinc/71/85/77/546718577.db2.gz PWXJEGAJLWRRKP-UHFFFAOYSA-N 1 0 369.462 2.142 20 30 FEEDRO C=CCc1ccccc1OC[C@@H](O)C[NH+]1CCC([C@@H](C)NC(C)=O)CC1 ZINC000481150139 561226441 /nfs/dbraw/zinc/22/64/41/561226441.db2.gz XJMVLACLVFUQMB-UZLBHIALSA-N 1 0 360.498 2.391 20 30 FEEDRO C[NH+]=C(NCc1cc(C)no1)N(C)Cc1cc(Br)cn1C ZINC000179218829 546915054 /nfs/dbraw/zinc/91/50/54/546915054.db2.gz NQIJUSMRPAOEII-UHFFFAOYSA-N 1 0 354.252 2.291 20 30 FEEDRO C[C@@H](C#N)Oc1ccccc1NC(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000180050705 547043833 /nfs/dbraw/zinc/04/38/33/547043833.db2.gz NZVWAYJOYYLKFS-HNNXBMFYSA-N 1 0 358.442 2.306 20 30 FEEDRO COC(=O)C[C@H]1CSCC[N@@H+]1Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000180191322 547065321 /nfs/dbraw/zinc/06/53/21/547065321.db2.gz VBBXYJUMPIJYAG-KRWDZBQOSA-N 1 0 370.478 2.439 20 30 FEEDRO Cn1cc(C[N@@H+]2CC[C@@H](CN3CCOCC3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180200678 547066374 /nfs/dbraw/zinc/06/63/74/547066374.db2.gz HUFARIWXRRQARN-SFHVURJKSA-N 1 0 365.481 2.113 20 30 FEEDRO C=CCNc1ncc(C(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)s1 ZINC000180353560 547090279 /nfs/dbraw/zinc/09/02/79/547090279.db2.gz PROTZLNHLAPQKK-MRXNPFEDSA-N 1 0 372.494 2.238 20 30 FEEDRO C[C@H](NC(=O)C(=O)Nc1ccc(F)cc1C#N)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000180407411 547102518 /nfs/dbraw/zinc/10/25/18/547102518.db2.gz RYDFWQSZUXHHTB-UONOGXRCSA-N 1 0 372.444 2.405 20 30 FEEDRO C=C(C)CN(C)C(=O)C(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1C ZINC000180658835 547151753 /nfs/dbraw/zinc/15/17/53/547151753.db2.gz BOJBZUNLUGVGLE-UHFFFAOYSA-N 1 0 358.486 2.110 20 30 FEEDRO C[C@H](NC(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1)c1ccc(C#N)cc1 ZINC000482842245 561261216 /nfs/dbraw/zinc/26/12/16/561261216.db2.gz PQVXHPNNLMGEJA-UWVAXJGDSA-N 1 0 369.513 2.287 20 30 FEEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+]2CC[C@](C)(O)C2)c1C#N ZINC000483057999 561266210 /nfs/dbraw/zinc/26/62/10/561266210.db2.gz ZAUUBXJEHZCTFF-FQEVSTJZSA-N 1 0 370.453 2.403 20 30 FEEDRO CN(C(=O)c1ccc(NC(=O)c2c[nH]c(C#N)c2)cc1)[C@@H]1CCC[N@H+](C)C1 ZINC000182162223 547446122 /nfs/dbraw/zinc/44/61/22/547446122.db2.gz WYHABFHLYRHLDG-GOSISDBHSA-N 1 0 365.437 2.305 20 30 FEEDRO N#Cc1ccc(N2CCC[C@H]([N@@H+]3CCC[C@H](CCC(N)=O)C3)C2=O)cc1 ZINC000182738897 547544308 /nfs/dbraw/zinc/54/43/08/547544308.db2.gz FKISOTVOHCMGHI-AEFFLSMTSA-N 1 0 354.454 2.031 20 30 FEEDRO CN(CCC#N)C(=O)CC[N@@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000182807122 547555333 /nfs/dbraw/zinc/55/53/33/547555333.db2.gz OTDZIQNKWSOIIJ-ZDUSSCGKSA-N 1 0 357.380 2.301 20 30 FEEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@H](C)c1cnn(-c2ccc(F)cc2)c1C ZINC000182873816 547565091 /nfs/dbraw/zinc/56/50/91/547565091.db2.gz MMNCATBCJZHCGL-CHWSQXEVSA-N 1 0 373.432 2.371 20 30 FEEDRO N#Cc1cccc(/C=C/C(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)c1 ZINC000183784222 547719593 /nfs/dbraw/zinc/71/95/93/547719593.db2.gz QDJRZYGAFVHSKQ-MHNQQFQPSA-N 1 0 361.445 2.454 20 30 FEEDRO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCOCC2(CCOCC2)C1 ZINC000184072291 547763859 /nfs/dbraw/zinc/76/38/59/547763859.db2.gz QZNKGVBNBLYQCG-IBGZPJMESA-N 1 0 361.482 2.284 20 30 FEEDRO C=CCOc1cc(OC)ccc1C(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000184618679 547855117 /nfs/dbraw/zinc/85/51/17/547855117.db2.gz URFOGLLQMHEUIR-QGZVFWFLSA-N 1 0 362.470 2.347 20 30 FEEDRO C[C@H](C#N)Oc1ccccc1NC(=O)N[C@H](C)CC[NH+]1CCN(C)CC1 ZINC000184617761 547855355 /nfs/dbraw/zinc/85/53/55/547855355.db2.gz YSLYOAKYIHAIAY-HZPDHXFCSA-N 1 0 359.474 2.125 20 30 FEEDRO N#Cc1csc(C[NH2+][C@@H](Cc2ccccc2)C(=O)N2CCOCC2)c1 ZINC000185160294 547943984 /nfs/dbraw/zinc/94/39/84/547943984.db2.gz KSXTZKHOOGZRRK-SFHVURJKSA-N 1 0 355.463 2.179 20 30 FEEDRO C#CCOc1ccccc1NC(=O)C(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000185347967 547973450 /nfs/dbraw/zinc/97/34/50/547973450.db2.gz YJMQZKNZGBRGKZ-UHFFFAOYSA-N 1 0 371.481 2.218 20 30 FEEDRO COc1cc(C#N)ccc1S(=O)(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000185460398 547987988 /nfs/dbraw/zinc/98/79/88/547987988.db2.gz BLBLFUJTZBRNDJ-UHFFFAOYSA-N 1 0 365.499 2.357 20 30 FEEDRO [NH2+]=C(NCc1ccc(N2CCCS2(=O)=O)cc1)NC1CCCCCC1 ZINC000185589416 548006059 /nfs/dbraw/zinc/00/60/59/548006059.db2.gz MRNIXWFFAHFGCZ-UHFFFAOYSA-N 1 0 364.515 2.354 20 30 FEEDRO CN(CC[N@H+](C)C1CC1)C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000185620953 548010413 /nfs/dbraw/zinc/01/04/13/548010413.db2.gz YGHYURAZIFVLMK-UHFFFAOYSA-N 1 0 371.485 2.379 20 30 FEEDRO COc1cc[nH+]c(N2CCN(C(=O)C3(c4ccc(C#N)cc4)CC3)CC2)c1 ZINC000186651266 548166187 /nfs/dbraw/zinc/16/61/87/548166187.db2.gz WRYIALJQFUSJLZ-UHFFFAOYSA-N 1 0 362.433 2.342 20 30 FEEDRO C=CCOc1cccc(NC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)c1 ZINC000190015223 548316552 /nfs/dbraw/zinc/31/65/52/548316552.db2.gz YIUUHZOPKTUBCP-QGZVFWFLSA-N 1 0 357.454 2.277 20 30 FEEDRO CCOC1CC(CCNC2=[NH+]C[C@@H]3CN(C(=O)OC(C)(C)C)CCN23)C1 ZINC000190135797 548318125 /nfs/dbraw/zinc/31/81/25/548318125.db2.gz VQPLZWSBQGCHML-HWOWSKLDSA-N 1 0 366.506 2.072 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N2CCOC[C@@H]2c2nc(C)cs2)CC1 ZINC000190175573 548319421 /nfs/dbraw/zinc/31/94/21/548319421.db2.gz KDKQZVVRYASMTG-OAHLLOKOSA-N 1 0 350.488 2.185 20 30 FEEDRO Cc1ccc(Br)nc1C(=O)N(CCC#N)CCC[NH+](C)C ZINC000190379625 548323717 /nfs/dbraw/zinc/32/37/17/548323717.db2.gz PFCOUKYHDFQVIS-UHFFFAOYSA-N 1 0 353.264 2.460 20 30 FEEDRO N#CC1CCN(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000190734181 548334223 /nfs/dbraw/zinc/33/42/23/548334223.db2.gz SFTBTRWZUJHAFK-LJQANCHMSA-N 1 0 356.470 2.223 20 30 FEEDRO COc1ccc(O)c(C[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1 ZINC000190838675 548335008 /nfs/dbraw/zinc/33/50/08/548335008.db2.gz IBUSECFLHPBDAA-SFHVURJKSA-N 1 0 351.406 2.163 20 30 FEEDRO CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000192128947 548360029 /nfs/dbraw/zinc/36/00/29/548360029.db2.gz UGXIEDLVFOHMRA-NXHRZFHOSA-N 1 0 351.397 2.439 20 30 FEEDRO CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH2+][C@@H]2CCCc3c(O)cccc32)CC1 ZINC000192368953 548362801 /nfs/dbraw/zinc/36/28/01/548362801.db2.gz ZOXUAULWDVUPIG-RTBURBONSA-N 1 0 370.497 2.052 20 30 FEEDRO C=CCNC(=O)c1ccc(NC(=O)[C@H]2COCCN2C2CCCC2)cc1 ZINC000192808968 548374056 /nfs/dbraw/zinc/37/40/56/548374056.db2.gz TVSUNNZFXCTHNB-GOSISDBHSA-N 1 0 357.454 2.184 20 30 FEEDRO Cc1cc(N(CCC#N)C(=O)C[NH2+][C@H]2C(=O)NCC[C@@H]2C)ccc1Cl ZINC000193621751 548391958 /nfs/dbraw/zinc/39/19/58/548391958.db2.gz OEFIQQGGGYDFLB-YVEFUNNKSA-N 1 0 362.861 2.009 20 30 FEEDRO N#CCCn1ccc(NC(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000193842516 548398561 /nfs/dbraw/zinc/39/85/61/548398561.db2.gz DKKIGQKPFZJXCF-QGZVFWFLSA-N 1 0 352.442 2.440 20 30 FEEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000194240330 548453997 /nfs/dbraw/zinc/45/39/97/548453997.db2.gz IRZLJTJDWXATDJ-UHFFFAOYSA-N 1 0 357.502 2.337 20 30 FEEDRO C=CCN1C(=S)N=NC1c1sc(NC(=O)[C@@H]2CCC[NH2+]C2)nc1C ZINC000195183619 548592244 /nfs/dbraw/zinc/59/22/44/548592244.db2.gz PCJABSBAOPVRQQ-SNVBAGLBSA-N 1 0 364.500 2.123 20 30 FEEDRO C=CCN1CCC([NH2+]Cc2ccccc2OCC(=O)N2CCCC2)CC1 ZINC000236661534 548771427 /nfs/dbraw/zinc/77/14/27/548771427.db2.gz DVPGZDLEWDCLIB-UHFFFAOYSA-N 1 0 357.498 2.428 20 30 FEEDRO CCS[C@H]1CCCC[N@H+](CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)C1 ZINC000245563197 548947611 /nfs/dbraw/zinc/94/76/11/548947611.db2.gz PMKXNWHHCRMHKF-ZWKOTPCHSA-N 1 0 366.575 2.286 20 30 FEEDRO C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)Cc2cccc(OCC#N)c2)C[C@H](C)O1 ZINC000245628839 548961892 /nfs/dbraw/zinc/96/18/92/548961892.db2.gz RUMXEYHMGMVAJX-ZIFCJYIRSA-N 1 0 371.481 2.232 20 30 FEEDRO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2nc3cc(C)ccc3[nH]2)C1 ZINC000246194240 549074019 /nfs/dbraw/zinc/07/40/19/549074019.db2.gz XFWKSRICRVGSSJ-HUUCEWRRSA-N 1 0 369.469 2.451 20 30 FEEDRO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC[C@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000246231287 549084438 /nfs/dbraw/zinc/08/44/38/549084438.db2.gz GFMOKXTUDURLEH-RYRKJORJSA-N 1 0 372.513 2.193 20 30 FEEDRO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC[C@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000246231279 549084779 /nfs/dbraw/zinc/08/47/79/549084779.db2.gz GFMOKXTUDURLEH-NUJGCVRESA-N 1 0 372.513 2.193 20 30 FEEDRO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC[C@@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000246231295 549085054 /nfs/dbraw/zinc/08/50/54/549085054.db2.gz GFMOKXTUDURLEH-SOLBZPMBSA-N 1 0 372.513 2.193 20 30 FEEDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(CC(=O)N(CCC#N)CCC#N)C1 ZINC000246343544 549110059 /nfs/dbraw/zinc/11/00/59/549110059.db2.gz JINXPQICPKMGQB-MOPGFXCFSA-N 1 0 359.518 2.229 20 30 FEEDRO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H]2C[C@@H](O)c2ccco2)cc1 ZINC000246459462 549137552 /nfs/dbraw/zinc/13/75/52/549137552.db2.gz FQVRITARQINFCX-YQVWRLOYSA-N 1 0 356.422 2.479 20 30 FEEDRO Cc1oc(NC(=O)[C@@H](C)N2CCC[C@@H](C[NH+]3CCOCC3)C2)c(C#N)c1C ZINC000246599276 549171239 /nfs/dbraw/zinc/17/12/39/549171239.db2.gz KHLXNNBKNYKKAB-WBVHZDCISA-N 1 0 374.485 2.139 20 30 FEEDRO C[N@@H+](Cc1ccc([S@@](C)=O)cc1)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000247023889 549267525 /nfs/dbraw/zinc/26/75/25/549267525.db2.gz LZTFOYCDPFYTQO-CRICUBBOSA-N 1 0 358.463 2.167 20 30 FEEDRO C=CCn1cccc1C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000489017538 561401725 /nfs/dbraw/zinc/40/17/25/561401725.db2.gz FSQRNOBVHFQIEG-RTBURBONSA-N 1 0 353.466 2.287 20 30 FEEDRO Cc1ncc(S(=O)(=O)N2CCC(C[NH+]3CCCCC3)CC2)cc1C#N ZINC000489109934 561403481 /nfs/dbraw/zinc/40/34/81/561403481.db2.gz WCJCQLYIMZUHOD-UHFFFAOYSA-N 1 0 362.499 2.148 20 30 FEEDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1ccccc1O[C@H](C)C#N ZINC000248979846 549534209 /nfs/dbraw/zinc/53/42/09/549534209.db2.gz VCEWRWMROMICEQ-OAGGEKHMSA-N 1 0 370.453 2.001 20 30 FEEDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)Nc1cccc(OCCCC#N)c1 ZINC000249163888 549564642 /nfs/dbraw/zinc/56/46/42/549564642.db2.gz JUAWFAKLDCNKKK-MAUKXSAKSA-N 1 0 372.469 2.106 20 30 FEEDRO CC(=O)NC[C@@H]1CCC[N@@H+]([C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1 ZINC000249841444 549632876 /nfs/dbraw/zinc/63/28/76/549632876.db2.gz ZOEADNSSCYPLRA-WXNRQPJFSA-N 1 0 362.518 2.154 20 30 FEEDRO CC[S@](=O)[C@@H]1CCC[C@@H](NC(NCc2ccc3c(c2)OCO3)=[NH+]C)C1 ZINC000261669745 549740995 /nfs/dbraw/zinc/74/09/95/549740995.db2.gz GPUKVNCYYHJMNB-XGZNKIABSA-N 1 0 365.499 2.160 20 30 FEEDRO C[NH+]=C(NCC(=O)N1CCc2ccccc21)N1CCC(OC(C)(C)C)CC1 ZINC000261858335 549763269 /nfs/dbraw/zinc/76/32/69/549763269.db2.gz YXZZWFPMFFTOHL-UHFFFAOYSA-N 1 0 372.513 2.431 20 30 FEEDRO C[NH+]=C(NCc1nnc(C)n1C)N(C)Cc1ccccc1Br ZINC000261933341 549771291 /nfs/dbraw/zinc/77/12/91/549771291.db2.gz BWFXMVAPUCUYGN-UHFFFAOYSA-N 1 0 365.279 2.093 20 30 FEEDRO C[NH+]=C(NCc1c(C)noc1C)NCC1(N(C)C)Cc2ccccc2C1 ZINC000261957503 549773414 /nfs/dbraw/zinc/77/34/14/549773414.db2.gz OVYAUCGGIOZPHM-UHFFFAOYSA-N 1 0 355.486 2.056 20 30 FEEDRO CC[NH+]=C(NC[C@H]1C[N@H+](C)CCN1C)N[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000261965017 549774264 /nfs/dbraw/zinc/77/42/64/549774264.db2.gz LETLMJQWLWXMMB-FUHWJXTLSA-N 1 0 373.545 2.090 20 30 FEEDRO C[NH+]=C(NCC1(CO)CCOCC1)N[C@H]1CC(C)(C)Oc2ccccc21 ZINC000261964017 549774477 /nfs/dbraw/zinc/77/44/77/549774477.db2.gz LBTKJAFGRKPKGJ-INIZCTEOSA-N 1 0 361.486 2.243 20 30 FEEDRO CS(=O)(=O)Nc1ccc(CNC(=[NH2+])Nc2ccc3c(c2)CCC3)cc1 ZINC000261969647 549775513 /nfs/dbraw/zinc/77/55/13/549775513.db2.gz CRKZZFYTXDNJTA-UHFFFAOYSA-N 1 0 358.467 2.474 20 30 FEEDRO C=CCN(C(=O)[C@@H]1CC12CC[NH2+]CC2)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000261980948 549776471 /nfs/dbraw/zinc/77/64/71/549776471.db2.gz WIMXLFNERYPWHD-YJBOKZPZSA-N 1 0 366.469 2.128 20 30 FEEDRO C[NH+]=C(NCc1nc2cc(Cl)ccc2s1)N1CCO[C@@H](COC)C1 ZINC000261995376 549778221 /nfs/dbraw/zinc/77/82/21/549778221.db2.gz STIAOHBKSAIFHM-GFCCVEGCSA-N 1 0 368.890 2.372 20 30 FEEDRO Cc1cc(Br)cn2cc(CC[NH+]=C(N(C)C)N(C)C)nc12 ZINC000262352535 549813739 /nfs/dbraw/zinc/81/37/39/549813739.db2.gz GHRDGHXUUQJCGM-UHFFFAOYSA-N 1 0 352.280 2.427 20 30 FEEDRO C[C@H](NC(NC[C@@H]1CCS(=O)(=O)C1)=[NH+][C@H]1C[C@@H]1C)c1cccs1 ZINC000262443580 549820502 /nfs/dbraw/zinc/82/05/02/549820502.db2.gz UZYRUIUEFVDFRP-XUXIUFHCSA-N 1 0 355.529 2.187 20 30 FEEDRO CC[NH+]=C(NCCn1cnc2ccccc21)N1CC[C@H](c2cnn(C)c2)C1 ZINC000262494183 549824608 /nfs/dbraw/zinc/82/46/08/549824608.db2.gz VVTLEPNFLLYYAH-INIZCTEOSA-N 1 0 365.485 2.225 20 30 FEEDRO C[NH+]=C(NCc1nc(C)cs1)N[C@H]1CCN(c2cccc(OC)c2)C1 ZINC000262728756 549843944 /nfs/dbraw/zinc/84/39/44/549843944.db2.gz AZKZYEQUSXMZAT-AWEZNQCLSA-N 1 0 359.499 2.404 20 30 FEEDRO C[NH+]=C(NCCn1c(C)nc2ccccc21)NCc1c(C)nn(C)c1C ZINC000262843363 549855020 /nfs/dbraw/zinc/85/50/20/549855020.db2.gz VDGSXOZLZDKMBN-UHFFFAOYSA-N 1 0 353.474 2.060 20 30 FEEDRO COCC[N@H+](C)CCNC(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000263708415 549923269 /nfs/dbraw/zinc/92/32/69/549923269.db2.gz CZDVBGVMMGORKH-UHFFFAOYSA-N 1 0 357.410 2.038 20 30 FEEDRO COC(=O)CCCCCCNC(=[NH2+])NCCc1ccc(OC)c(OC)c1 ZINC000264069247 549975379 /nfs/dbraw/zinc/97/53/79/549975379.db2.gz FXJFKUAUPMIQRO-UHFFFAOYSA-N 1 0 365.474 2.274 20 30 FEEDRO COc1ccc(CCNC(=[NH2+])NC[C@@H]2CCN(CC(F)(F)F)C2)cc1 ZINC000264119613 549981165 /nfs/dbraw/zinc/98/11/65/549981165.db2.gz UNCCLSRCZQRICY-AWEZNQCLSA-N 1 0 358.408 2.026 20 30 FEEDRO CCNC(=O)c1cccc(CNC(=[NH2+])NCc2ccc(OC)c(OC)c2)c1 ZINC000264133627 549983323 /nfs/dbraw/zinc/98/33/23/549983323.db2.gz YYMGHFZISITLKI-UHFFFAOYSA-N 1 0 370.453 2.058 20 30 FEEDRO CCN(CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1)C[C@H]1CCCO1 ZINC000265137672 550006762 /nfs/dbraw/zinc/00/67/62/550006762.db2.gz PBSRJZQTGGZFAF-HIFRSBDPSA-N 1 0 354.410 2.013 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC(C(=O)OC)CC1)C(C)C ZINC000265188340 550007574 /nfs/dbraw/zinc/00/75/74/550007574.db2.gz ZJJHCIOOODUOIB-QGZVFWFLSA-N 1 0 351.491 2.280 20 30 FEEDRO CCOC(=O)N1CCC(NC(=[NH2+])NCC2(c3cccc(F)c3)CC2)CC1 ZINC000267441019 550031840 /nfs/dbraw/zinc/03/18/40/550031840.db2.gz PDHHRWDBOVCTHK-UHFFFAOYSA-N 1 0 362.449 2.383 20 30 FEEDRO CC(C)[C@H](C(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1)[NH+](C)C ZINC000268510557 550079181 /nfs/dbraw/zinc/07/91/81/550079181.db2.gz RUGJKQJLPBGAIF-GOSISDBHSA-N 1 0 356.470 2.322 20 30 FEEDRO N#CCOc1cccc(NC(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)c1 ZINC000269196137 550166690 /nfs/dbraw/zinc/16/66/90/550166690.db2.gz NFLKCHHYGSBSMH-MOPGFXCFSA-N 1 0 372.469 2.478 20 30 FEEDRO COc1ccc(CNC(=[NH2+])NCCc2cccc([N+](=O)[O-])c2)cc1OC ZINC000270465897 550274932 /nfs/dbraw/zinc/27/49/32/550274932.db2.gz XYVUFPBCPCWWEB-UHFFFAOYSA-N 1 0 358.398 2.259 20 30 FEEDRO CC(C)[NH+]1CCN(C2CCN(C(=O)NCc3cccc(C#N)c3)CC2)CC1 ZINC000270586158 550286859 /nfs/dbraw/zinc/28/68/59/550286859.db2.gz JHQAIFWZEZQERQ-UHFFFAOYSA-N 1 0 369.513 2.258 20 30 FEEDRO C[N@@H+]1CCN(CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C(C)(C)C1 ZINC000271088026 550339107 /nfs/dbraw/zinc/33/91/07/550339107.db2.gz ZXLYADOFWSSNHC-UHFFFAOYSA-N 1 0 367.415 2.199 20 30 FEEDRO C=C(C)COc1cc(C[N@@H+]2CCC[C@H](CS(N)(=O)=O)C2)ccc1OC ZINC000271163487 550347346 /nfs/dbraw/zinc/34/73/46/550347346.db2.gz GJQINNOXYXSNLL-INIZCTEOSA-N 1 0 368.499 2.151 20 30 FEEDRO C=CCc1ccc(OC[C@@H](O)C[N@H+](C)CCc2cnccn2)c(OC)c1 ZINC000271345259 550367166 /nfs/dbraw/zinc/36/71/66/550367166.db2.gz NSXXJHMWOKPOOG-SFHVURJKSA-N 1 0 357.454 2.128 20 30 FEEDRO C#CC[C@H]([NH2+]CC(=O)NCCCN1CCCCCC1=O)c1ccccc1 ZINC000271685936 550395354 /nfs/dbraw/zinc/39/53/54/550395354.db2.gz JICFFBMCIIXSNN-IBGZPJMESA-N 1 0 355.482 2.250 20 30 FEEDRO CC(C)CS(=O)(=O)N1CCC([NH2+]Cc2ccc(C#N)cc2F)CC1 ZINC000272045912 550418610 /nfs/dbraw/zinc/41/86/10/550418610.db2.gz WWZVTGFJGBBAOC-UHFFFAOYSA-N 1 0 353.463 2.237 20 30 FEEDRO C[N@@H+]1CC[C@H]2CCN(C(=O)CCCC(=O)Nc3ccccc3C#N)[C@@H]2C1 ZINC000272620330 550461167 /nfs/dbraw/zinc/46/11/67/550461167.db2.gz LSHUPPZSWHFXLN-MAUKXSAKSA-N 1 0 354.454 2.220 20 30 FEEDRO C[C@@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CCC(C)(C#N)CC1 ZINC000272619718 550461315 /nfs/dbraw/zinc/46/13/15/550461315.db2.gz UORPPRUWURCOJX-PKOBYXMFSA-N 1 0 354.498 2.391 20 30 FEEDRO C[C@H](NC(=O)C(=O)Nc1ccc(C#N)cc1F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000272937476 550477491 /nfs/dbraw/zinc/47/74/91/550477491.db2.gz NJYDDOZEVXERSL-ZFWWWQNUSA-N 1 0 372.444 2.405 20 30 FEEDRO C#CCOc1cccc(NC(=O)C(=O)NCC[C@H](C)[NH+]2CCCCC2)c1 ZINC000273093818 550484928 /nfs/dbraw/zinc/48/49/28/550484928.db2.gz FVRRXGKJLDFQRU-INIZCTEOSA-N 1 0 357.454 2.018 20 30 FEEDRO C=C(C)[C@H](Cc1nc(-c2cc(N3CC[NH+](C)CC3)ccn2)no1)OCC ZINC000273886129 550514680 /nfs/dbraw/zinc/51/46/80/550514680.db2.gz RWLQMOPVEYGFBN-KRWDZBQOSA-N 1 0 357.458 2.407 20 30 FEEDRO N#Cc1ccc(-c2nc(-c3ccccc3C[N@H+]3CCC[C@H]3C(N)=O)no2)[nH]1 ZINC000273926918 550516010 /nfs/dbraw/zinc/51/60/10/550516010.db2.gz RASHVRZDXXLONZ-INIZCTEOSA-N 1 0 362.393 2.053 20 30 FEEDRO C#CCN(C(=O)NCc1ccccc1CN1CC[NH+](CC)CC1)C1CC1 ZINC000274128892 550524377 /nfs/dbraw/zinc/52/43/77/550524377.db2.gz OTFOGSFWYJMDQD-UHFFFAOYSA-N 1 0 354.498 2.131 20 30 FEEDRO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N(C)CC[N@H+](C)C1CC1 ZINC000274451279 550538313 /nfs/dbraw/zinc/53/83/13/550538313.db2.gz FGRYTNABDJNKGA-MRXNPFEDSA-N 1 0 358.486 2.356 20 30 FEEDRO C=CCS(=O)(=O)CCNC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000275087616 550570515 /nfs/dbraw/zinc/57/05/15/550570515.db2.gz HEQDMQHWISCMAG-UHFFFAOYSA-N 1 0 364.511 2.006 20 30 FEEDRO CC(C)COc1ccccc1NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C ZINC000275910219 550575215 /nfs/dbraw/zinc/57/52/15/550575215.db2.gz SHWIZWPOSGSEGI-UHFFFAOYSA-N 1 0 374.485 2.354 20 30 FEEDRO C[NH+](C)C1(CNC(=O)CCC(=O)N(CCC#N)c2ccccc2)CCC1 ZINC000276002752 550575620 /nfs/dbraw/zinc/57/56/20/550575620.db2.gz OUUZZPJOFDINCB-UHFFFAOYSA-N 1 0 356.470 2.314 20 30 FEEDRO C#CCC1(C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)CCCCC1 ZINC000276234985 550577594 /nfs/dbraw/zinc/57/75/94/550577594.db2.gz DZHBNPFMDYAJHX-UHFFFAOYSA-N 1 0 354.498 2.423 20 30 FEEDRO Cc1noc(C[C@H]([NH2+]CC(=O)N[C@@](C)(C#N)C(C)C)c2ccccc2)n1 ZINC000277315812 550655582 /nfs/dbraw/zinc/65/55/82/550655582.db2.gz UWKWBYSNSQIZQQ-LPHOPBHVSA-N 1 0 355.442 2.306 20 30 FEEDRO CCCn1ccnc1CCC[N@H+](C)C[C@H](O)COc1ccc(C#N)cc1 ZINC000277326508 550656872 /nfs/dbraw/zinc/65/68/72/550656872.db2.gz VJGKSHIKEHXGMF-SFHVURJKSA-N 1 0 356.470 2.469 20 30 FEEDRO Cc1ncc(CO)c(/C=N/C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)c1O ZINC000277519290 550680064 /nfs/dbraw/zinc/68/00/64/550680064.db2.gz VAAXLJTYBNMBAY-VVJWVBNBSA-N 1 0 369.465 2.298 20 30 FEEDRO C[C@H]1C[N@H+](CCCNC(=O)C(C)(C)Oc2ccc(C#N)cc2)CCCO1 ZINC000277641608 550695612 /nfs/dbraw/zinc/69/56/12/550695612.db2.gz SAKGPHOFUSSQPR-INIZCTEOSA-N 1 0 359.470 2.333 20 30 FEEDRO CC(C)(C)[S@@](=O)CC[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000278570219 550800002 /nfs/dbraw/zinc/80/00/02/550800002.db2.gz DNOYOBCVRHSYIW-VWLOTQADSA-N 1 0 359.499 2.496 20 30 FEEDRO C[C@@](O)(C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)C(F)(F)F ZINC000278656309 550808671 /nfs/dbraw/zinc/80/86/71/550808671.db2.gz MTMXEVAIGDQKGB-OAHLLOKOSA-N 1 0 353.348 2.262 20 30 FEEDRO Cc1nc(C#N)c(N2CCC(C(=O)NC3CC[NH+](CC4CC4)CC3)CC2)o1 ZINC000278705664 550813388 /nfs/dbraw/zinc/81/33/88/550813388.db2.gz BMIGVHSGFRZTPM-UHFFFAOYSA-N 1 0 371.485 2.062 20 30 FEEDRO C=C(C)[C@H]1OCC[C@H]1C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000279001011 550845448 /nfs/dbraw/zinc/84/54/48/550845448.db2.gz KLLNFDJNXZCXFQ-WOJBJXKFSA-N 1 0 358.482 2.241 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)cc1 ZINC000279278348 550872761 /nfs/dbraw/zinc/87/27/61/550872761.db2.gz ODDAWOKVLGOILI-KURKYZTESA-N 1 0 360.479 2.269 20 30 FEEDRO N#CCCn1cc(CN2CC(=O)N[C@@H]3CCCC[C@H]32)c(-c2ccncc2)n1 ZINC000279402134 550886025 /nfs/dbraw/zinc/88/60/25/550886025.db2.gz MOHYAFWOUPQTNT-QZTJIDSGSA-N 1 0 364.453 2.102 20 30 FEEDRO COCCOC[C@H]1CC[N@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000279438726 550890337 /nfs/dbraw/zinc/89/03/37/550890337.db2.gz RDLWNIDLXCSCMT-KRWDZBQOSA-N 1 0 369.469 2.344 20 30 FEEDRO C[C@@H]1OCC[C@]12CN([C@@H]1CCCN(c3ccc(C#N)cc3)C1=O)C[C@@H](C)O2 ZINC000279782101 550928138 /nfs/dbraw/zinc/92/81/38/550928138.db2.gz NRXAYAHBWMJKJL-ZEVBXJOLSA-N 1 0 369.465 2.322 20 30 FEEDRO CS(=O)(=O)C1(C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CCC1 ZINC000279803547 550930540 /nfs/dbraw/zinc/93/05/40/550930540.db2.gz NTGCIEQQHOACGJ-UHFFFAOYSA-N 1 0 361.511 2.080 20 30 FEEDRO C=CC[C@H](CO)[NH2+][C@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000280090104 550959940 /nfs/dbraw/zinc/95/99/40/550959940.db2.gz MJHLRXLOWODIKP-RKDXNWHRSA-N 1 0 353.271 2.228 20 30 FEEDRO C[C@@H]1C[N@@H+](CCCCNC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)C[C@H](C)O1 ZINC000280172597 550967913 /nfs/dbraw/zinc/96/79/13/550967913.db2.gz CKMBFCOWZHLBRQ-FUHIMQAGSA-N 1 0 368.481 2.246 20 30 FEEDRO CCN(C[C@H](C)C#N)C(=O)CN1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000280613791 551013555 /nfs/dbraw/zinc/01/35/55/551013555.db2.gz XVTIOAUXHRBCFN-RLLQIKCJSA-N 1 0 354.498 2.058 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Cn1c2ccccc2n(C)c1=O)C(C)C ZINC000496029745 561491790 /nfs/dbraw/zinc/49/17/90/561491790.db2.gz SGMNMJLJNSLJDZ-IBGZPJMESA-N 1 0 370.497 2.155 20 30 FEEDRO CNC(=O)[C@@]1(C)CC[N@@H+]([C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000281260603 551078689 /nfs/dbraw/zinc/07/86/89/551078689.db2.gz VKTBFAGKKRDTCJ-UTKZUKDTSA-N 1 0 370.497 2.397 20 30 FEEDRO N#Cc1ccccc1OCC[NH+]1CCC(CNC(=O)C(F)(F)F)CC1 ZINC000281523623 551108981 /nfs/dbraw/zinc/10/89/81/551108981.db2.gz ZOADDKYGNQNOKI-UHFFFAOYSA-N 1 0 355.360 2.328 20 30 FEEDRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+]CCCC2(C#N)CCOCC2)cc1 ZINC000282115038 551182435 /nfs/dbraw/zinc/18/24/35/551182435.db2.gz XGFPTPQNNOJMOX-HNNXBMFYSA-N 1 0 365.499 2.346 20 30 FEEDRO C[C@H](CC#N)N(C)S(=O)(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000282551235 551245533 /nfs/dbraw/zinc/24/55/33/551245533.db2.gz CNMVKNNESJSMKN-IUODEOHRSA-N 1 0 358.895 2.011 20 30 FEEDRO CN(C[C@H]1CC[N@H+](C)C1)S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000282784170 551270084 /nfs/dbraw/zinc/27/00/84/551270084.db2.gz XGGRNPUOVQOOLX-NSHDSACASA-N 1 0 361.389 2.149 20 30 FEEDRO C[C@H](C#N)CN(C)S(=O)(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000282804881 551272406 /nfs/dbraw/zinc/27/24/06/551272406.db2.gz KJJQQVNLPDXBQO-MRXNPFEDSA-N 1 0 364.515 2.098 20 30 FEEDRO C[C@H](CC#N)N(C)S(=O)(=O)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000283037473 551301490 /nfs/dbraw/zinc/30/14/90/551301490.db2.gz QWVAJIQTYURMRV-IAGOWNOFSA-N 1 0 364.515 2.062 20 30 FEEDRO COC(=O)Cc1occc1C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000283161432 551321713 /nfs/dbraw/zinc/32/17/13/551321713.db2.gz VREDQJUSRRSBFP-UHFFFAOYSA-N 1 0 369.421 2.071 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N[C@H](C)c1cccnc1)C(C)C ZINC000283226166 551332380 /nfs/dbraw/zinc/33/23/80/551332380.db2.gz VEDVUJNTLIXQQU-SJLPKXTDSA-N 1 0 358.486 2.074 20 30 FEEDRO CN(Cc1cccc(C#N)c1)C(=O)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000284346148 551529516 /nfs/dbraw/zinc/52/95/16/551529516.db2.gz XQHFRDKWZNGCMC-UHFFFAOYSA-N 1 0 368.481 2.040 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@H](CC)c2ccccc2)CC1 ZINC000284401033 551541823 /nfs/dbraw/zinc/54/18/23/551541823.db2.gz ZNWXOPAPOARIFM-KRWDZBQOSA-N 1 0 357.498 2.453 20 30 FEEDRO C[C@@H](NC(=O)C(=O)NCC1([NH+](C)C)CCCCC1)c1ccc(C#N)cc1 ZINC000284429467 551547190 /nfs/dbraw/zinc/54/71/90/551547190.db2.gz OQJJPVVZVZHUGF-OAHLLOKOSA-N 1 0 356.470 2.116 20 30 FEEDRO COc1ccc([C@@H](CNC(=O)Cc2noc(C)c2C#N)[NH+]2CCCC2)cc1 ZINC000498525128 561526938 /nfs/dbraw/zinc/52/69/38/561526938.db2.gz JHXQLAKCGNXZFH-LJQANCHMSA-N 1 0 368.437 2.359 20 30 FEEDRO COc1ccc([C@H](CNC(=O)Cc2noc(C)c2C#N)[NH+]2CCCC2)cc1 ZINC000498525125 561526964 /nfs/dbraw/zinc/52/69/64/561526964.db2.gz JHXQLAKCGNXZFH-IBGZPJMESA-N 1 0 368.437 2.359 20 30 FEEDRO COc1ccc([C@H](C[NH+](C)C)NC(=O)Nc2ccn(CCC#N)n2)cc1 ZINC000284801097 551636885 /nfs/dbraw/zinc/63/68/85/551636885.db2.gz KMOIQCLPERTUHN-INIZCTEOSA-N 1 0 356.430 2.230 20 30 FEEDRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)N(C)Cc1cccc(C#N)c1 ZINC000284817691 551641847 /nfs/dbraw/zinc/64/18/47/551641847.db2.gz XZSGTWRONQNPJQ-KRWDZBQOSA-N 1 0 370.497 2.287 20 30 FEEDRO C=CCCO[C@H](C)C(=O)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000498566494 561528899 /nfs/dbraw/zinc/52/88/99/561528899.db2.gz KMFIOSUVQXSETA-OAHLLOKOSA-N 1 0 359.470 2.304 20 30 FEEDRO CC[N@@H+]1C[C@@H](C)N(C(=O)CCc2c(C)nc3c(C#N)cnn3c2C)C[C@H]1C ZINC000498584268 561529592 /nfs/dbraw/zinc/52/95/92/561529592.db2.gz QITQNYSJYKTOQG-ZIAGYGMSSA-N 1 0 368.485 2.092 20 30 FEEDRO COCc1ncc(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)s1 ZINC000285092466 551703660 /nfs/dbraw/zinc/70/36/60/551703660.db2.gz KNYFQJOGAYIJNA-UHFFFAOYSA-N 1 0 358.467 2.365 20 30 FEEDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000285221415 551722683 /nfs/dbraw/zinc/72/26/83/551722683.db2.gz FIDJMXLIZBCUPR-DOMZBBRYSA-N 1 0 353.875 2.459 20 30 FEEDRO C[C@H]1C[NH+](C)C[C@H](C)N1C(=O)C1CCN(c2ccc(C#N)cc2F)CC1 ZINC000285800355 551812489 /nfs/dbraw/zinc/81/24/89/551812489.db2.gz PTMXFTWNKISPKS-GJZGRUSLSA-N 1 0 358.461 2.465 20 30 FEEDRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)c2ccc(F)c(C#N)c2)CC1 ZINC000285864324 551820538 /nfs/dbraw/zinc/82/05/38/551820538.db2.gz DOCUGYOYEXFRKE-HOTGVXAUSA-N 1 0 358.461 2.328 20 30 FEEDRO N#Cc1ccc(N2CC[C@H](C(=O)NC[C@@H]3CC[N@@H+](C4CC4)C3)C2)c(F)c1 ZINC000285941235 551829873 /nfs/dbraw/zinc/82/98/73/551829873.db2.gz HXZQLZVJEQKBGX-HOTGVXAUSA-N 1 0 356.445 2.124 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N2Cc3ccccc3C[C@@H]2CC)CC1 ZINC000286510759 551894414 /nfs/dbraw/zinc/89/44/14/551894414.db2.gz KXUZKQHUEHBKKM-IBGZPJMESA-N 1 0 355.482 2.117 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N2C[C@H](c3ccc(F)cc3)C[C@@H]2C)CC1 ZINC000286737955 551920560 /nfs/dbraw/zinc/92/05/60/551920560.db2.gz RZYNISRMEWAOLX-DOTOQJQBSA-N 1 0 373.472 2.297 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)NCC(C)(C)c2ccc(CC)cc2)CC1 ZINC000286828278 551930459 /nfs/dbraw/zinc/93/04/59/551930459.db2.gz WXUSAKCQCBYJRY-UHFFFAOYSA-N 1 0 371.525 2.409 20 30 FEEDRO C=CCOc1ccc(CNC(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cc1 ZINC000287073537 551960195 /nfs/dbraw/zinc/96/01/95/551960195.db2.gz VALYIWRGPWZDBL-WOJBJXKFSA-N 1 0 373.497 2.428 20 30 FEEDRO C#CC[C@H](Cc1ccccc1)NC(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000287231541 551979283 /nfs/dbraw/zinc/97/92/83/551979283.db2.gz FZYPKRQFLCNQBO-HKBOAZHASA-N 1 0 369.509 2.298 20 30 FEEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000287327674 551990148 /nfs/dbraw/zinc/99/01/48/551990148.db2.gz WWGQQQXTPNJDGX-OALUTQOASA-N 1 0 370.497 2.286 20 30 FEEDRO CC[C@@](C)(C#N)C(=O)N1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000287367060 551995132 /nfs/dbraw/zinc/99/51/32/551995132.db2.gz NYWSTAOEMTYFNO-CTNGQTDRSA-N 1 0 354.498 2.345 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2nc(-c3ccco3)cs2)CC1 ZINC000288179742 552105387 /nfs/dbraw/zinc/10/53/87/552105387.db2.gz XEZNZKGIVTVCDU-UHFFFAOYSA-N 1 0 374.466 2.498 20 30 FEEDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000288208971 552111152 /nfs/dbraw/zinc/11/11/52/552111152.db2.gz SZFDTCNCLNTSLC-HOCLYGCPSA-N 1 0 371.485 2.138 20 30 FEEDRO C#CC[C@@H](Cc1ccccc1)NC(=O)N1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000288240561 552117049 /nfs/dbraw/zinc/11/70/49/552117049.db2.gz SFWNDKOFORGRBS-LEWJYISDSA-N 1 0 368.525 2.042 20 30 FEEDRO CC[C@H](CO)[NH+]1CCN(c2c(C#N)cnc3c(F)c(F)c(F)cc32)CC1 ZINC000288417433 552150186 /nfs/dbraw/zinc/15/01/86/552150186.db2.gz NPUVMJMZCLRUFP-GFCCVEGCSA-N 1 0 364.371 2.417 20 30 FEEDRO CCCC[N@H+](C)C[C@H](C)NC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1 ZINC000288852860 552224682 /nfs/dbraw/zinc/22/46/82/552224682.db2.gz PGZNCBNDEQNEBG-LBPRGKRZSA-N 1 0 350.850 2.387 20 30 FEEDRO C=CCN(C)C(=O)C(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000289102835 552266668 /nfs/dbraw/zinc/26/66/68/552266668.db2.gz VKYJONRBXVRDKJ-AWEZNQCLSA-N 1 0 357.376 2.069 20 30 FEEDRO Cc1cc(NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C)c(Cl)cc1F ZINC000500211813 561567964 /nfs/dbraw/zinc/56/79/64/561567964.db2.gz HUWQFIGZVZUMCT-UHFFFAOYSA-N 1 0 368.840 2.420 20 30 FEEDRO C=CCN(CC=C)C(=O)C(=O)N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000289189385 552279868 /nfs/dbraw/zinc/27/98/68/552279868.db2.gz QDTKDXQAPXAZTF-MJGOQNOKSA-N 1 0 355.482 2.214 20 30 FEEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@H](C)C1=CC[N@H+](C)CC1 ZINC000289209709 552283228 /nfs/dbraw/zinc/28/32/28/552283228.db2.gz BWGUSDAISSNBNJ-MRXNPFEDSA-N 1 0 368.481 2.063 20 30 FEEDRO COc1ccc(C#N)cc1NC(=O)C(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000500350988 561570629 /nfs/dbraw/zinc/57/06/29/561570629.db2.gz CRQQYRCTLLQBHH-UHFFFAOYSA-N 1 0 372.469 2.086 20 30 FEEDRO O=C(NCC[NH2+]Cc1cc(O)cc(C(F)(F)F)c1)C1N=CC=CC1=O ZINC000289539059 552337262 /nfs/dbraw/zinc/33/72/62/552337262.db2.gz PCXKNBDLFYLDJX-PFONDFGASA-N 1 0 355.316 2.027 20 30 FEEDRO N#Cc1ccc(CNC(=O)C[N@@H+]2CCCN3c4ccccc4C[C@H]3C2)cc1 ZINC000289549568 552339285 /nfs/dbraw/zinc/33/92/85/552339285.db2.gz UGMLXBILABQLII-FQEVSTJZSA-N 1 0 360.461 2.311 20 30 FEEDRO C=CCn1c(Cn2nc(C)cc2C)nnc1N(C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000289724481 552368461 /nfs/dbraw/zinc/36/84/61/552368461.db2.gz PQLFHMWZOCPYAR-CRAIPNDOSA-N 1 0 371.533 2.492 20 30 FEEDRO C=CCOc1ccc(C[NH2+][C@@H]2CCC[C@H]2CNS(C)(=O)=O)cc1OC ZINC000500575267 561577314 /nfs/dbraw/zinc/57/73/14/561577314.db2.gz XXTHDMDSEPLKIU-JKSUJKDBSA-N 1 0 368.499 2.068 20 30 FEEDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000290050487 552419764 /nfs/dbraw/zinc/41/97/64/552419764.db2.gz MHIPFHMTMWNWRA-GFCCVEGCSA-N 1 0 350.850 2.387 20 30 FEEDRO N#Cc1ccc(NC(=O)C(=O)N2CCC([NH+]3CCCCC3)CC2)cc1F ZINC000290139862 552433474 /nfs/dbraw/zinc/43/34/74/552433474.db2.gz BNGUTSLHMTVSNO-UHFFFAOYSA-N 1 0 358.417 2.113 20 30 FEEDRO C=C[C@@](C)(CCOC)c1nc(-c2cc(N3CC[NH+](C)CC3)ccn2)no1 ZINC000290187731 552440260 /nfs/dbraw/zinc/44/02/60/552440260.db2.gz WATDUDOKZZQBMG-IBGZPJMESA-N 1 0 357.458 2.364 20 30 FEEDRO Cc1ccc([C@H](CNC(=O)C(=O)Nc2ccc(C#N)c(F)c2)[NH+](C)C)cc1 ZINC000290202601 552441974 /nfs/dbraw/zinc/44/19/74/552441974.db2.gz HYSBDMWVTPCUBE-SFHVURJKSA-N 1 0 368.412 2.363 20 30 FEEDRO N#Cc1c(NC(=O)C[C@H]2CN(Cc3ccccc3)CCO2)n[nH]c1C1CC1 ZINC000290390900 552471479 /nfs/dbraw/zinc/47/14/79/552471479.db2.gz IABJSDUHWFDUPR-INIZCTEOSA-N 1 0 365.437 2.388 20 30 FEEDRO CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)C1 ZINC000290438977 552479329 /nfs/dbraw/zinc/47/93/29/552479329.db2.gz RRRWGPBWHOMPGW-LJQANCHMSA-N 1 0 370.432 2.349 20 30 FEEDRO COc1ccc(CNC(=[NH2+])NC[C@]2(CO)C[C@@H]2c2ccccc2)cc1OC ZINC000290518207 552491748 /nfs/dbraw/zinc/49/17/48/552491748.db2.gz JBUZFFNBUMJOSZ-UTKZUKDTSA-N 1 0 369.465 2.274 20 30 FEEDRO COC[C@@H](C)NC(=[NH2+])NCc1cccc(-c2nc(CC(F)(F)F)no2)c1 ZINC000290658540 552514135 /nfs/dbraw/zinc/51/41/35/552514135.db2.gz NRSBJNZWNLTDRM-SNVBAGLBSA-N 1 0 371.363 2.281 20 30 FEEDRO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@H](C)c1ccc(N2CCCNC2=O)cc1 ZINC000291297808 552611974 /nfs/dbraw/zinc/61/19/74/552611974.db2.gz RUINJCKYRYHJCB-HZPDHXFCSA-N 1 0 371.485 2.265 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC(F)(F)[C@@H](CO)C1)C(C)C ZINC000291579894 552639807 /nfs/dbraw/zinc/63/98/07/552639807.db2.gz YGECUTFIQTYNKL-HZPDHXFCSA-N 1 0 359.461 2.344 20 30 FEEDRO C[C@@H]1CN(S(=O)(=O)c2ccc(F)cc2C#N)CC[N@@H+](C2CCC2)C1 ZINC000291618475 552644075 /nfs/dbraw/zinc/64/40/75/552644075.db2.gz BZXNJUWLUYAKSP-ZDUSSCGKSA-N 1 0 351.447 2.192 20 30 FEEDRO C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CCC(F)(F)[C@@H](CO)C2)c(OC)c1 ZINC000291777276 552660570 /nfs/dbraw/zinc/66/05/70/552660570.db2.gz MADLDYICQQIURR-CVEARBPZSA-N 1 0 371.424 2.113 20 30 FEEDRO C[N@@H+]1CC[C@@]2(CCN(S(=O)(=O)c3ccc(C(F)(F)F)c(C#N)c3)C2)C1 ZINC000292077564 552691297 /nfs/dbraw/zinc/69/12/97/552691297.db2.gz QPKJMVZGIFQSGG-OAHLLOKOSA-N 1 0 373.400 2.293 20 30 FEEDRO O=C(NCC[NH2+][C@H](C[C@@H]1CCOC1)c1ccc(F)cc1)C1N=CC=CC1=O ZINC000292224009 552706214 /nfs/dbraw/zinc/70/62/14/552706214.db2.gz 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ADLGDSHBOZMHKO-BZUAXINKSA-N 1 0 358.490 2.402 20 30 FEEDRO C[C@@H](NC(=O)N1CCN(C(=O)C2CCCCC2)CC1)C1=CC[N@H+](C)CC1 ZINC000329281812 553917234 /nfs/dbraw/zinc/91/72/34/553917234.db2.gz FBNNJAHPXNUISU-MRXNPFEDSA-N 1 0 362.518 2.275 20 30 FEEDRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)N[C@@H]1CCC(=O)N[C@H]1C(C)(C)C ZINC000329361743 553932138 /nfs/dbraw/zinc/93/21/38/553932138.db2.gz IPUBZMOYLQNRAG-IIAWOOMASA-N 1 0 368.522 2.211 20 30 FEEDRO CN(C(=O)CNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)C1CCCCC1 ZINC000329420575 553942941 /nfs/dbraw/zinc/94/29/41/553942941.db2.gz GWNRFTGRVYTPGA-SJPCQFCGSA-N 1 0 350.507 2.249 20 30 FEEDRO O=C(NCC1(C[NH+]2CCOCC2)CCCCC1)N1CCOCC2(CC2)C1 ZINC000329429158 553945300 /nfs/dbraw/zinc/94/53/00/553945300.db2.gz GVJVMAACVAMSOR-UHFFFAOYSA-N 1 0 365.518 2.296 20 30 FEEDRO Cc1nccc(N2CCN(C(=O)NC[C@H]3CCCC[N@H+]3CC(C)C)CC2)n1 ZINC000329442257 553947894 /nfs/dbraw/zinc/94/78/94/553947894.db2.gz BQHXIDLTXDOBFV-GOSISDBHSA-N 1 0 374.533 2.332 20 30 FEEDRO Cc1nc(CN2CCC(CNC(=O)N3CCC[N@@H+](C)CC3)CC2)oc1C ZINC000329454681 553950203 /nfs/dbraw/zinc/95/02/03/553950203.db2.gz NZIHKJYVFBITCF-UHFFFAOYSA-N 1 0 363.506 2.055 20 30 FEEDRO CC[C@@H]1C[C@@H](C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)CC(=O)N1 ZINC000329460283 553950589 /nfs/dbraw/zinc/95/05/89/553950589.db2.gz RWDUYPIVQAKGBL-HZPDHXFCSA-N 1 0 359.474 2.435 20 30 FEEDRO CC1(C)C[N@@H+](C2(CNC(=O)c3cnc4n[nH]nc4c3)CCCCC2)CCO1 ZINC000329465813 553952043 /nfs/dbraw/zinc/95/20/43/553952043.db2.gz VIGIPCAHHMGFFZ-UHFFFAOYSA-N 1 0 372.473 2.471 20 30 FEEDRO CC(C)[C@H](NC(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21)c1nnc2ccccn21 ZINC000329468457 553952556 /nfs/dbraw/zinc/95/25/56/553952556.db2.gz XIUSPNJDXRRHHV-ZOBUZTSGSA-N 1 0 356.474 2.366 20 30 FEEDRO C[C@H]1CN(C(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2ccnn2C)CC(C)(C)O1 ZINC000329483627 553955313 /nfs/dbraw/zinc/95/53/13/553955313.db2.gz QGBUOCOFTGUYPL-YQQAZPJKSA-N 1 0 363.506 2.216 20 30 FEEDRO C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 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CCn1cc([C@@H]2NC(=O)CC[C@H]2NC(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)cn1 ZINC000330170061 554077391 /nfs/dbraw/zinc/07/73/91/554077391.db2.gz DLIYZGRBKMTGJG-MMTVNHQJSA-N 1 0 362.478 2.049 20 30 FEEDRO CC(C)[NH+]1CCC(O)(CNC(=O)N[C@H]2CCOC3(CCCC3)C2)CC1 ZINC000330220074 554087428 /nfs/dbraw/zinc/08/74/28/554087428.db2.gz KPQRVGWJTSJYGQ-INIZCTEOSA-N 1 0 353.507 2.217 20 30 FEEDRO CC[NH+]1CCN([C@H]2CCN(C(=O)Nc3nccn3-c3ccccc3)C2)CC1 ZINC000330234472 554090298 /nfs/dbraw/zinc/09/02/98/554090298.db2.gz GLKQCUZJCGNMNJ-SFHVURJKSA-N 1 0 368.485 2.130 20 30 FEEDRO O=C(CN1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CC2)CC1)NC1CCCCC1 ZINC000330234648 554090509 /nfs/dbraw/zinc/09/05/09/554090509.db2.gz SSAKHKJXVYEMJS-SFHVURJKSA-N 1 0 362.518 2.047 20 30 FEEDRO C=C(C)[C@H]1OCC[C@H]1C(=O)N(C)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC000330246103 554092152 /nfs/dbraw/zinc/09/21/52/554092152.db2.gz YAOVZCFPDYCJCA-JCHJZTRSSA-N 1 0 360.502 2.243 20 30 FEEDRO Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NC(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000330323641 554105136 /nfs/dbraw/zinc/10/51/36/554105136.db2.gz HUAQIOYLVQPCHH-OWQGQXMQSA-N 1 0 363.506 2.102 20 30 FEEDRO C[C@H](C(=O)Nc1nc2ccc(F)cc2s1)N1C[C@@H]2[C@H](C1)OCCN2C ZINC000330345751 554108918 /nfs/dbraw/zinc/10/89/18/554108918.db2.gz FOSGXGNIEHHUGQ-HONMWMINSA-N 1 0 364.446 2.427 20 30 FEEDRO C[C@@H](CC#N)N(C)S(=O)(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000330413988 554118748 /nfs/dbraw/zinc/11/87/48/554118748.db2.gz MRARQMZWSNYMHD-WMZOPIPTSA-N 1 0 364.515 2.109 20 30 FEEDRO CC(C)C[NH+]1CCC(NC(=O)N[C@H](C)C(=O)N2CCCC[C@@H]2C)CC1 ZINC000330435692 554121802 /nfs/dbraw/zinc/12/18/02/554121802.db2.gz MAESMQPHIGNZEQ-JKSUJKDBSA-N 1 0 352.523 2.400 20 30 FEEDRO CNC(=O)C1CCC(NC(=O)N2CCC(CCC[NH+](C)C)CC2)CC1 ZINC000330571458 554139616 /nfs/dbraw/zinc/13/96/16/554139616.db2.gz ODXNJJLBIUWSJG-UHFFFAOYSA-N 1 0 352.523 2.259 20 30 FEEDRO CC(=O)c1ccc(NC(=O)N2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)cc1Cl ZINC000330585063 554141708 /nfs/dbraw/zinc/14/17/08/554141708.db2.gz RVVSGJTZGDQDBX-RYUDHWBXSA-N 1 0 353.850 2.475 20 30 FEEDRO C[C@@H]1CN(C(=O)CNC(=O)c2cccc(Br)c2)C[C@H](C)[N@H+]1C ZINC000330787381 554171170 /nfs/dbraw/zinc/17/11/70/554171170.db2.gz OZORDWKTBGMBSQ-TXEJJXNPSA-N 1 0 368.275 2.305 20 30 FEEDRO CC(C)CNC(=O)N1CCC[C@H](CC(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000330887887 554183466 /nfs/dbraw/zinc/18/34/66/554183466.db2.gz ABHXGBVEEZOHQQ-BRWVUGGUSA-N 1 0 352.523 2.257 20 30 FEEDRO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCC[C@H](c2cc(C(F)(F)F)n[nH]2)C1 ZINC000330898105 554184724 /nfs/dbraw/zinc/18/47/24/554184724.db2.gz OUFNKCZNSUZMBA-NEPJUHHUSA-N 1 0 357.380 2.368 20 30 FEEDRO CC(C)NS(=O)(=O)c1cccc(C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000330917214 554188122 /nfs/dbraw/zinc/18/81/22/554188122.db2.gz VYSQJPVOHGVCOU-UKRRQHHQSA-N 1 0 353.488 2.161 20 30 FEEDRO CC[C@H]1CN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC[N@@H+]1C[C@@H](C)O ZINC000330986591 554197400 /nfs/dbraw/zinc/19/74/00/554197400.db2.gz RAWWBYWYOQILEV-RISCZKNCSA-N 1 0 354.382 2.056 20 30 FEEDRO Cc1ncc(S(=O)(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)cc1C#N ZINC000331173269 554226112 /nfs/dbraw/zinc/22/61/12/554226112.db2.gz UWAVPXDAXPCZAI-ZDUSSCGKSA-N 1 0 350.488 2.051 20 30 FEEDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NS(=O)(=O)Cc1cc(C#N)ccc1F ZINC000331290631 554242337 /nfs/dbraw/zinc/24/23/37/554242337.db2.gz KFQRQACNMGLNDH-KBPBESRZSA-N 1 0 353.463 2.237 20 30 FEEDRO C=CCn1c(C(=O)NC(CC)CC)nnc1N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000508909311 561778022 /nfs/dbraw/zinc/77/80/22/561778022.db2.gz YZLQRZZCFKYGSC-MRXNPFEDSA-N 1 0 362.522 2.159 20 30 FEEDRO C=CCn1c(-c2ccccn2)nnc1N1CC[N@H+](CCOC)[C@@H](CCC)C1 ZINC000508922557 561778335 /nfs/dbraw/zinc/77/83/35/561778335.db2.gz QVXDNPUZHVLPKP-KRWDZBQOSA-N 1 0 370.501 2.463 20 30 FEEDRO C=CCn1c(C(=O)NC(CC)CC)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC000508999475 561780788 /nfs/dbraw/zinc/78/07/88/561780788.db2.gz QASFQAZTWIDZHQ-UHFFFAOYSA-N 1 0 374.533 2.447 20 30 FEEDRO CC[NH+](CC)[C@@H]1CCN(C(=O)[C@H]2CCCN(c3nc(C)ccc3C#N)C2)C1 ZINC000331516789 554278355 /nfs/dbraw/zinc/27/83/55/554278355.db2.gz DLYVNKRSALGPEV-RBUKOAKNSA-N 1 0 369.513 2.421 20 30 FEEDRO COCCC[NH+]1CCC(NC(=O)C2(c3cc(F)cc(C#N)c3)CC2)CC1 ZINC000509141528 561786585 /nfs/dbraw/zinc/78/65/85/561786585.db2.gz VFAQDNFQCZCOQI-UHFFFAOYSA-N 1 0 359.445 2.346 20 30 FEEDRO CC[NH+]1CCC(NC(=O)[C@@H]2CCCN(c3nc(C)ccc3C#N)C2)CC1 ZINC000331935755 554348671 /nfs/dbraw/zinc/34/86/71/554348671.db2.gz XAQCQKZTTGNYJV-QGZVFWFLSA-N 1 0 355.486 2.079 20 30 FEEDRO CCN(C[C@H](C)C#N)S(=O)(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000332210362 554401664 /nfs/dbraw/zinc/40/16/64/554401664.db2.gz GLVFBJAAVAXXPJ-QGZVFWFLSA-N 1 0 370.563 2.301 20 30 FEEDRO C[NH+](C)CCOc1ccccc1CNC(=O)Cc1c(F)cccc1C#N ZINC000509841576 561815849 /nfs/dbraw/zinc/81/58/49/561815849.db2.gz XKWJZKJKIMZHCE-UHFFFAOYSA-N 1 0 355.413 2.497 20 30 FEEDRO C[N@H+](CC1CC1)C[C@H]1CCN([C@@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000333044651 554563740 /nfs/dbraw/zinc/56/37/40/554563740.db2.gz PGANEGISNDOYKB-NVXWUHKLSA-N 1 0 358.511 2.389 20 30 FEEDRO C=CC[C@@H](C(=O)N1CC[NH+]([C@@H]2CCNC(=O)CC2)CC1)c1ccccc1 ZINC000333730698 554637491 /nfs/dbraw/zinc/63/74/91/554637491.db2.gz JUZYMEGTFOUNTD-RBUKOAKNSA-N 1 0 355.482 2.159 20 30 FEEDRO N#Cc1ccccc1N1CCCN(C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000333904021 554654475 /nfs/dbraw/zinc/65/44/75/554654475.db2.gz JJAOJGIJIKGJGW-IPMKNSEASA-N 1 0 367.497 2.168 20 30 FEEDRO Cc1ccccc1C[NH+]1CCC(NC(=O)CN2CCC(F)(C#N)CC2)CC1 ZINC000510903762 561850297 /nfs/dbraw/zinc/85/02/97/561850297.db2.gz UBEYFAHKLASITM-UHFFFAOYSA-N 1 0 372.488 2.403 20 30 FEEDRO C=CCOC[C@@H]1NC(=O)N(C[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)C1=O ZINC000348391849 554683899 /nfs/dbraw/zinc/68/38/99/554683899.db2.gz RBHBICAESHCREQ-FXAWDEMLSA-N 1 0 357.454 2.164 20 30 FEEDRO C=CCOC[C@@H]1NC(=O)N(C[C@H]2CCCC[N@@H+]2Cc2ccccc2)C1=O ZINC000348456895 554685718 /nfs/dbraw/zinc/68/57/18/554685718.db2.gz CFGGMYVOGDIYMQ-MSOLQXFVSA-N 1 0 357.454 2.164 20 30 FEEDRO C=CCOC[C@H]1NC(=O)N(C[C@@H]2CCC[N@H+](Cc3cccs3)C2)C1=O ZINC000348513877 554687679 /nfs/dbraw/zinc/68/76/79/554687679.db2.gz ONAOBSNRQIBHCF-GDBMZVCRSA-N 1 0 363.483 2.083 20 30 FEEDRO N#C[C@@H]1CCC[C@H]([NH2+]CCNS(=O)(=O)c2ccc(F)cc2Cl)C1 ZINC000511033415 561854433 /nfs/dbraw/zinc/85/44/33/561854433.db2.gz UNUOIQGHQGXPAR-YPMHNXCESA-N 1 0 359.854 2.429 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CN1C(=O)N[C@H](Cc2ccccn2)C1=O)C(C)C ZINC000349235421 554722343 /nfs/dbraw/zinc/72/23/43/554722343.db2.gz DXQFDRDWEYVWCM-QZTJIDSGSA-N 1 0 356.470 2.243 20 30 FEEDRO Cc1n[nH]c(C2CC[NH+]([C@H]3CCCN(c4ccc(C#N)cc4)C3=O)CC2)n1 ZINC000360471955 554875853 /nfs/dbraw/zinc/87/58/53/554875853.db2.gz GODNCUWWJIRFCQ-SFHVURJKSA-N 1 0 364.453 2.360 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)[C@H]2CC(=O)N(c3ccc(F)c(C)c3)C2)CC1 ZINC000361750109 554932870 /nfs/dbraw/zinc/93/28/70/554932870.db2.gz GZXAIIWTLHXQPG-INIZCTEOSA-N 1 0 371.456 2.091 20 30 FEEDRO CC1CC[NH+](CCNC(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)CC1 ZINC000362712181 554983187 /nfs/dbraw/zinc/98/31/87/554983187.db2.gz VFSUFALMLIWZBH-IBGZPJMESA-N 1 0 356.470 2.373 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2CCC[N@@H+]3CCC[C@H]3C2)c(C(F)(F)F)c1 ZINC000362900613 554997271 /nfs/dbraw/zinc/99/72/71/554997271.db2.gz DHLXGRZMQTYATB-ZDUSSCGKSA-N 1 0 373.400 2.436 20 30 FEEDRO C=CCc1cc(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc(OC)c1OC ZINC000363102116 555030363 /nfs/dbraw/zinc/03/03/63/555030363.db2.gz ZGSCCNSPZBEKGY-IAGOWNOFSA-N 1 0 360.454 2.025 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCO[C@@H]1C1CC1 ZINC000363149921 555040753 /nfs/dbraw/zinc/04/07/53/555040753.db2.gz IBYRLEOOTMQZAF-RBUKOAKNSA-N 1 0 356.470 2.199 20 30 FEEDRO N#C[C@H](c1ccccc1)N1CCN(C(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC000363316773 555077145 /nfs/dbraw/zinc/07/71/45/555077145.db2.gz PPDJMVVCUYXAOF-XUVXKRRUSA-N 1 0 352.482 2.270 20 30 FEEDRO C[C@@H](C(=O)NC1CCN(c2ccc(C#N)cn2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000363384686 555091728 /nfs/dbraw/zinc/09/17/28/555091728.db2.gz OCIUGFCZBUQPLV-OAGGEKHMSA-N 1 0 355.486 2.300 20 30 FEEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH2+][C@@H]1CSC[C@H]1C ZINC000512221108 561896398 /nfs/dbraw/zinc/89/63/98/561896398.db2.gz WGZUZWQZHLTZDR-MLGOLLRUSA-N 1 0 364.515 2.293 20 30 FEEDRO C=C[C@](C)(CCOC)C(=O)NC1CC[NH+](CC2(O)CCCCC2)CC1 ZINC000364122835 555254235 /nfs/dbraw/zinc/25/42/35/555254235.db2.gz NOKTUUNCDDKKDG-LJQANCHMSA-N 1 0 352.519 2.491 20 30 FEEDRO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CCC[N@H+](CC(C)(C)O)CC1 ZINC000364161890 555261092 /nfs/dbraw/zinc/26/10/92/555261092.db2.gz QIFFQUVTAZSWRG-LJQANCHMSA-N 1 0 373.497 2.267 20 30 FEEDRO N#Cc1c(F)cccc1C(=O)NC[C@H]1CN(Cc2ccccc2)CCO1 ZINC000364478554 555321099 /nfs/dbraw/zinc/32/10/99/555321099.db2.gz WGCPYYAWUPJTHR-INIZCTEOSA-N 1 0 353.397 2.328 20 30 FEEDRO CN(C)c1noc(C2CC[NH+](CCC(=O)Nc3ccc(C#N)cc3)CC2)n1 ZINC000364513242 555327304 /nfs/dbraw/zinc/32/73/04/555327304.db2.gz ZSKPHQHUOWGERY-UHFFFAOYSA-N 1 0 368.441 2.215 20 30 FEEDRO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@]2(CCC[C@H]2NC(=O)OC(C)(C)C)C1 ZINC000365229513 555517026 /nfs/dbraw/zinc/51/70/26/555517026.db2.gz QNTXEHIFVGCWEV-QMTMVMCOSA-N 1 0 351.491 2.446 20 30 FEEDRO CCCC[N@H+](C)C[C@H](C)NC(=O)N1CCCN(c2ncccc2C#N)CC1 ZINC000365704241 555645362 /nfs/dbraw/zinc/64/53/62/555645362.db2.gz OTSACLNNHRYSHD-KRWDZBQOSA-N 1 0 372.517 2.295 20 30 FEEDRO CC(C)Cc1ccc([C@@H](CNC(=O)N2CCO[C@@H](C#N)C2)[NH+](C)C)cc1 ZINC000513382252 561936331 /nfs/dbraw/zinc/93/63/31/561936331.db2.gz DVMAMPSZFARZCU-RBUKOAKNSA-N 1 0 358.486 2.422 20 30 FEEDRO N#C[C@H]1COCCN1C(=O)C1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000365827190 555676439 /nfs/dbraw/zinc/67/64/39/555676439.db2.gz YSSWPRNJQWBENC-ZDUSSCGKSA-N 1 0 353.875 2.364 20 30 FEEDRO N#Cc1ccsc1NC(=O)CCN1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000366074599 555743984 /nfs/dbraw/zinc/74/39/84/555743984.db2.gz RVPHMGNSVFJGTD-CQSZACIVSA-N 1 0 350.513 2.071 20 30 FEEDRO C[C@H](C(=O)NCc1ccc(Cl)cc1)[NH+]1CCC(n2cnc(C#N)n2)CC1 ZINC000366339420 555815387 /nfs/dbraw/zinc/81/53/87/555815387.db2.gz KSOTVIIKEVEYBT-CYBMUJFWSA-N 1 0 372.860 2.145 20 30 FEEDRO C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000366623707 555893709 /nfs/dbraw/zinc/89/37/09/555893709.db2.gz YVBJUILMWDSZTK-FHERZECASA-N 1 0 370.453 2.049 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)Nc2cccc(-c3nc(COC)no3)c2C)CC1 ZINC000367215797 556003445 /nfs/dbraw/zinc/00/34/45/556003445.db2.gz NAAPCAKNHILGST-UHFFFAOYSA-N 1 0 368.437 2.475 20 30 FEEDRO C[N@@H+]1CCC[C@H](CNCC(=O)N(CCC#N)CCC#N)[C@H]1c1ccccc1 ZINC000367483400 556062839 /nfs/dbraw/zinc/06/28/39/556062839.db2.gz MCDHDTGIQWQHHB-TZIWHRDSSA-N 1 0 367.497 2.315 20 30 FEEDRO N#Cc1c(NC[C@@H]2C[C@H](F)CN2Cc2cncnc2)nc2ccccn21 ZINC000367814000 556146034 /nfs/dbraw/zinc/14/60/34/556146034.db2.gz LIZIIVADSOPZTN-GJZGRUSLSA-N 1 0 351.389 2.020 20 30 FEEDRO COC(=O)[C@]12CCC[C@@H]1C[N@H+](Cc1nnc(-c3ccc(C#N)cc3)o1)C2 ZINC000367828674 556149498 /nfs/dbraw/zinc/14/94/98/556149498.db2.gz VPUDBJPFHLPZPK-BEFAXECRSA-N 1 0 352.394 2.383 20 30 FEEDRO C[C@H]([NH2+][C@H]1CCC(=O)N[C@H]1C1CC1)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000368495807 556326306 /nfs/dbraw/zinc/32/63/06/556326306.db2.gz KTYANWYOUJDBDZ-IXDGSTSKSA-N 1 0 372.444 2.108 20 30 FEEDRO N#Cc1ccc(S(N)(=O)=O)cc1NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000368550296 556342607 /nfs/dbraw/zinc/34/26/07/556342607.db2.gz GXNQXOUADGKQQU-INIZCTEOSA-N 1 0 370.478 2.140 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCCc2nccn21 ZINC000368692501 556386494 /nfs/dbraw/zinc/38/64/94/556386494.db2.gz NRYWHVXCPREEND-SFHVURJKSA-N 1 0 351.454 2.223 20 30 FEEDRO N#Cc1ccncc1C(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000515534291 562014547 /nfs/dbraw/zinc/01/45/47/562014547.db2.gz SODFGQKZANYQTA-UHFFFAOYSA-N 1 0 352.360 2.488 20 30 FEEDRO N#Cc1cccnc1OC1CCC(NC(=O)NC[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000515620863 562017433 /nfs/dbraw/zinc/01/74/33/562017433.db2.gz MRSMWZOICGPSAJ-WSDZMALLSA-N 1 0 371.485 2.460 20 30 FEEDRO COc1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)cc1OCCCC#N ZINC000368976608 556465385 /nfs/dbraw/zinc/46/53/85/556465385.db2.gz XTCSNDAIHJFERV-FCEWJHQRSA-N 1 0 357.454 2.464 20 30 FEEDRO CCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000369059465 556492354 /nfs/dbraw/zinc/49/23/54/556492354.db2.gz WQIIONOCLJQHAC-HNNXBMFYSA-N 1 0 370.453 2.029 20 30 FEEDRO C[N@H+](Cc1cc(C#N)ccc1F)C1CCN(CC(=O)N2CCCC2)CC1 ZINC000369067131 556495583 /nfs/dbraw/zinc/49/55/83/556495583.db2.gz TUCXAOWJOSMCMH-UHFFFAOYSA-N 1 0 358.461 2.216 20 30 FEEDRO CN(C(=O)Nc1cccc(C#N)c1)C1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000369086981 556501407 /nfs/dbraw/zinc/50/14/07/556501407.db2.gz CQOHDZUVRRNORN-UHFFFAOYSA-N 1 0 369.469 2.109 20 30 FEEDRO N#C[C@H]1CN(C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)CCN1C1CC1 ZINC000369218227 556538815 /nfs/dbraw/zinc/53/88/15/556538815.db2.gz GUBNQRGDKKUDMT-ZWKOTPCHSA-N 1 0 371.485 2.188 20 30 FEEDRO Cc1ccc([C@@H](CNC(=O)N2CCN(C3CC3)[C@H](C#N)C2)[NH+]2CCCC2)o1 ZINC000369228072 556541533 /nfs/dbraw/zinc/54/15/33/556541533.db2.gz CUXGCMZSILKOQL-QZTJIDSGSA-N 1 0 371.485 2.107 20 30 FEEDRO N#C[C@H]1CN(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)CCN1C1CC1 ZINC000369230059 556542570 /nfs/dbraw/zinc/54/25/70/556542570.db2.gz MGFOJKTVZOVCEM-FQEVSTJZSA-N 1 0 367.497 2.164 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N2CCC[C@H]2[C@@H]2CCCN2C(=O)CC)CC1 ZINC000369403712 556592651 /nfs/dbraw/zinc/59/26/51/556592651.db2.gz WGXNXHSPKADGJD-ROUUACIJSA-N 1 0 362.518 2.212 20 30 FEEDRO CC[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)C(=O)Nc1ccc(CC#N)cc1 ZINC000369523966 556619461 /nfs/dbraw/zinc/61/94/61/556619461.db2.gz YBYZLEUHJQWRMW-ZWKOTPCHSA-N 1 0 354.454 2.166 20 30 FEEDRO Cc1nc(C)n(C[C@@H]2CCC[N@@H+]2CCC(=O)Nc2sccc2C#N)n1 ZINC000369784586 556693928 /nfs/dbraw/zinc/69/39/28/556693928.db2.gz PEQXZTLXOZNPNZ-HNNXBMFYSA-N 1 0 358.471 2.321 20 30 FEEDRO Cc1ccc(C#N)c(N2CCC[C@H](C(=O)NC[C@H](C)[N@H+](C)C3CC3)C2)n1 ZINC000369938363 556736039 /nfs/dbraw/zinc/73/60/39/556736039.db2.gz UOERWBSKPGCXHK-RDJZCZTQSA-N 1 0 355.486 2.077 20 30 FEEDRO Cc1ccc(C#N)c(N2CCC[C@H](C(=O)NC[C@@H](C)[N@H+](C)C3CC3)C2)n1 ZINC000369938364 556736226 /nfs/dbraw/zinc/73/62/26/556736226.db2.gz UOERWBSKPGCXHK-WBVHZDCISA-N 1 0 355.486 2.077 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)[C@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)CC1 ZINC000370015009 556758424 /nfs/dbraw/zinc/75/84/24/556758424.db2.gz BFAYNPGKODYWHJ-HKUYNNGSSA-N 1 0 367.493 2.200 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@H]2c3ccccc3CC[C@@H]2CO)cc1 ZINC000370092267 556778618 /nfs/dbraw/zinc/77/86/18/556778618.db2.gz FGLQXSMIEXSJDW-YLJYHZDGSA-N 1 0 370.474 2.218 20 30 FEEDRO COc1ccc([C@H](C)[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)cc1F ZINC000516509272 562045464 /nfs/dbraw/zinc/04/54/64/562045464.db2.gz YWRHVSZJEKJEOG-LBPRGKRZSA-N 1 0 363.414 2.225 20 30 FEEDRO CN1CCC[C@]2(CC[N@H+](CC(=O)Nc3ccccc3SCC#N)C2)C1=O ZINC000370409028 556864810 /nfs/dbraw/zinc/86/48/10/556864810.db2.gz AIDZJXIEKZXJIT-LJQANCHMSA-N 1 0 372.494 2.185 20 30 FEEDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000370410800 556865391 /nfs/dbraw/zinc/86/53/91/556865391.db2.gz RWICBZKEYWLNDZ-QRVBRYPASA-N 1 0 353.466 2.300 20 30 FEEDRO C[C@@H](C#N)Oc1ccccc1NC(=O)N1CCC[N@H+](CC(C)(C)O)CC1 ZINC000370416763 556866358 /nfs/dbraw/zinc/86/63/58/556866358.db2.gz ZPISNLSPZQYVQO-HNNXBMFYSA-N 1 0 360.458 2.288 20 30 FEEDRO C[N@H+](CCC(=O)Nc1ccccc1C#N)C1CCN(c2cccnn2)CC1 ZINC000370421870 556868090 /nfs/dbraw/zinc/86/80/90/556868090.db2.gz BTDCHUVNWAJARK-UHFFFAOYSA-N 1 0 364.453 2.278 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N2C[C@H](C)O[C@@]3(CCO[C@H]3C)C2)CC1 ZINC000370507460 556893979 /nfs/dbraw/zinc/89/39/79/556893979.db2.gz IETBTBNRYLYRER-BXWFABGCSA-N 1 0 351.491 2.005 20 30 FEEDRO C[NH+]1CCC(NC(=O)CCOCC(F)(F)C(F)F)(C(F)(F)F)CC1 ZINC000370655464 556932329 /nfs/dbraw/zinc/93/23/29/556932329.db2.gz FSNAWSGKAQKIQR-UHFFFAOYSA-N 1 0 368.293 2.436 20 30 FEEDRO CN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1CCC[C@@H]1[NH+]1CCOCC1 ZINC000370757725 556959290 /nfs/dbraw/zinc/95/92/90/556959290.db2.gz IKCAMEVGKHUVKE-OALUTQOASA-N 1 0 356.470 2.201 20 30 FEEDRO N#Cc1ccc(CSCC(=O)NC[C@H]2CCC[C@@H]2[NH+]2CCOCC2)cc1 ZINC000370772398 556963526 /nfs/dbraw/zinc/96/35/26/556963526.db2.gz KEOFYJJKQLHPFP-MOPGFXCFSA-N 1 0 373.522 2.409 20 30 FEEDRO C#CC[C@H](C)NC(=O)N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000371057752 557061278 /nfs/dbraw/zinc/06/12/78/557061278.db2.gz XLXUDXZQKBEPAS-OALUTQOASA-N 1 0 369.513 2.037 20 30 FEEDRO CN(CCC#N)C[C@@H](O)C[NH2+][C@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000517145916 562077426 /nfs/dbraw/zinc/07/74/26/562077426.db2.gz SPHPEJRDZCVDES-XJKSGUPXSA-N 1 0 360.285 2.213 20 30 FEEDRO Cc1nnc(N2CC[NH+](CCCOCC(F)(F)F)CC2)c(C#N)c1C ZINC000517725823 562096390 /nfs/dbraw/zinc/09/63/90/562096390.db2.gz QHAIGGPBERSFLJ-UHFFFAOYSA-N 1 0 357.380 2.056 20 30 FEEDRO N#Cc1ccc(OCCNC(=O)N2CCc3ccccc3[C@H]2C[NH3+])cc1 ZINC000517738255 562096812 /nfs/dbraw/zinc/09/68/12/562096812.db2.gz IAUAYFKCGHDNST-LJQANCHMSA-N 1 0 350.422 2.205 20 30 FEEDRO N#Cc1ccc(SCC(=O)NC[C@@H]2CCC[C@H]2[NH+]2CCOCC2)cc1 ZINC000371562296 557223542 /nfs/dbraw/zinc/22/35/42/557223542.db2.gz DFUMFYCJLVBKPL-FUHWJXTLSA-N 1 0 359.495 2.267 20 30 FEEDRO C[NH+]1CCC(C#N)(NC(=O)[C@@H]2CCCN(C(=O)Nc3ccccc3)C2)CC1 ZINC000518026007 562102857 /nfs/dbraw/zinc/10/28/57/562102857.db2.gz WDILUOXLNYPSOQ-MRXNPFEDSA-N 1 0 369.469 2.035 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cccc(-n3cnnn3)c2C)CC1 ZINC000518513787 562113280 /nfs/dbraw/zinc/11/32/80/562113280.db2.gz RIDJIUWGOLUHBE-UHFFFAOYSA-N 1 0 355.446 2.133 20 30 FEEDRO C[C@@H]1C[C@]1(C#N)C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000518689017 562116525 /nfs/dbraw/zinc/11/65/25/562116525.db2.gz GJIGYYGCZZFYNM-WIBUTAKZSA-N 1 0 354.454 2.341 20 30 FEEDRO CC(C)[C@H](C(=O)N1CCC(Nc2ccc(C#N)cn2)CC1)[NH+]1CCCCC1 ZINC000372119348 557384308 /nfs/dbraw/zinc/38/43/08/557384308.db2.gz ADIAXGMZKUXLLH-HXUWFJFHSA-N 1 0 369.513 2.867 20 30 FEEDRO CCC[N@@H+]1CC[C@H](CNC(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)C1 ZINC000372341372 557445067 /nfs/dbraw/zinc/44/50/67/557445067.db2.gz BITKPIWRBIMZTF-MJGOQNOKSA-N 1 0 356.470 2.373 20 30 FEEDRO C[C@@H]1C[C@@H](NC(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)C[N@@H+]1C1CC1 ZINC000372348835 557447441 /nfs/dbraw/zinc/44/74/41/557447441.db2.gz YHTNVFWTEFOCEM-LSBZLQRGSA-N 1 0 354.454 2.266 20 30 FEEDRO Cc1cc(NC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)nn1-c1cccc(C#N)c1 ZINC000372378216 557454663 /nfs/dbraw/zinc/45/46/63/557454663.db2.gz PVRSQTRDHLEUSL-PBHICJAKSA-N 1 0 366.469 2.999 20 30 FEEDRO C=C(C)CN(CC)C(=O)[C@H](C)N[C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000372478311 557481020 /nfs/dbraw/zinc/48/10/20/557481020.db2.gz QBXIMHMMHYDTLH-FCGDIQPGSA-N 1 0 351.535 2.279 20 30 FEEDRO COC(=O)c1ccc(N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c(C#N)n1 ZINC000519667312 562139175 /nfs/dbraw/zinc/13/91/75/562139175.db2.gz DLCXDJYCZKHMTA-GASCZTMLSA-N 1 0 372.469 2.065 20 30 FEEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)N[C@H]3CCO[C@H]3C3CC3)CC2)cc1 ZINC000372858912 557576578 /nfs/dbraw/zinc/57/65/78/557576578.db2.gz SPKOMFKUWDJZKY-PMACEKPBSA-N 1 0 368.481 2.343 20 30 FEEDRO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCC[C@@H](n2ccnn2)C1 ZINC000519768425 562143210 /nfs/dbraw/zinc/14/32/10/562143210.db2.gz XHIXICCCEMQJPF-IUODEOHRSA-N 1 0 358.833 2.467 20 30 FEEDRO N#Cc1ncccc1S(=O)(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000372954351 557596319 /nfs/dbraw/zinc/59/63/19/557596319.db2.gz LXBKTUNMZFOSSF-UHFFFAOYSA-N 1 0 362.499 2.230 20 30 FEEDRO CN1C(=O)N[C@@]2(CCC[C@@H]2C[NH2+]Cc2ccc(F)c(C#N)c2Cl)C1=O ZINC000372993773 557605508 /nfs/dbraw/zinc/60/55/08/557605508.db2.gz WGILZOKUOGEXHF-PIGZYNQJSA-N 1 0 364.808 2.161 20 30 FEEDRO C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000373322142 557671981 /nfs/dbraw/zinc/67/19/81/557671981.db2.gz VBIKOVXZAVZMOD-RNIPGJKVSA-N 1 0 350.503 2.315 20 30 FEEDRO C=C(C)[C@H]1OCCC[C@H]1C(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000373917255 557786543 /nfs/dbraw/zinc/78/65/43/557786543.db2.gz JKDNKYNKKUVUAY-RTBURBONSA-N 1 0 363.546 2.424 20 30 FEEDRO C[C@@H]([NH2+]C[C@H]1CCCCN1S(=O)(=O)N(C)C)c1ccc(C#N)c(F)c1 ZINC000520650070 562160916 /nfs/dbraw/zinc/16/09/16/562160916.db2.gz ITVJUURKMSDKQN-CZUORRHYSA-N 1 0 368.478 2.009 20 30 FEEDRO C=CCN(C(=O)[C@H](OC)c1cnn(C)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000373987030 557801558 /nfs/dbraw/zinc/80/15/58/557801558.db2.gz WKAQBLPXRMZBJZ-VQTJNVASSA-N 1 0 368.481 2.397 20 30 FEEDRO CCOc1ccc(C#N)cc1NC(=O)C(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000520790724 562163735 /nfs/dbraw/zinc/16/37/35/562163735.db2.gz BGWBMNASKAIJTA-GJZGRUSLSA-N 1 0 372.469 2.275 20 30 FEEDRO Cn1cc([C@@H]2[C@H](CNC(=O)NCC3CCC(C#N)CC3)CCC[N@@H+]2C)cn1 ZINC000374143359 557831130 /nfs/dbraw/zinc/83/11/30/557831130.db2.gz MCFKPNQRZKXBGI-AKSNENBUSA-N 1 0 372.517 2.432 20 30 FEEDRO C=CCN(C(=O)NCC[N@@H+](C)C(C)C)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000520923324 562166127 /nfs/dbraw/zinc/16/61/27/562166127.db2.gz KMHSIEKGBFQXQF-MRXNPFEDSA-N 1 0 371.489 2.261 20 30 FEEDRO CCN(C[C@@H](C)C#N)S(=O)(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000374457855 557886508 /nfs/dbraw/zinc/88/65/08/557886508.db2.gz HAKNDSGDGXSJKC-HNNXBMFYSA-N 1 0 356.536 2.099 20 30 FEEDRO C=CCNC(=O)[C@@H](C)[N@@H+]1CCC2(C1)CCN(C(=O)OC(C)(C)C)CC2 ZINC000375016698 557964954 /nfs/dbraw/zinc/96/49/54/557964954.db2.gz FUIGJNHFNXQENE-OAHLLOKOSA-N 1 0 351.491 2.400 20 30 FEEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1CC[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000375019457 557965137 /nfs/dbraw/zinc/96/51/37/557965137.db2.gz LDAKWYAREXARSC-JENIJYKNSA-N 1 0 370.497 2.356 20 30 FEEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1CC[C@@H]2CC[N@H+](C)[C@H]2C1 ZINC000375019459 557965358 /nfs/dbraw/zinc/96/53/58/557965358.db2.gz LDAKWYAREXARSC-LNLFQRSKSA-N 1 0 370.497 2.356 20 30 FEEDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)Nc3ccccc3SCCC#N)C[C@H]21 ZINC000375053972 557970876 /nfs/dbraw/zinc/97/08/76/557970876.db2.gz JHMIEICGGFVPIB-GDBMZVCRSA-N 1 0 372.494 2.183 20 30 FEEDRO CCOC(=O)c1nn(C)cc1CN1CCCN(c2ccc(C#N)cc2)CC1 ZINC000375225887 557994866 /nfs/dbraw/zinc/99/48/66/557994866.db2.gz KIGZDEREALTVEP-UHFFFAOYSA-N 1 0 367.453 2.181 20 30 FEEDRO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC[C@@]2(C1)c1ccccc1NC2=O ZINC000375311968 558007544 /nfs/dbraw/zinc/00/75/44/558007544.db2.gz ZGPLNJXCBFTNQD-LHSJRXKWSA-N 1 0 360.417 2.481 20 30 FEEDRO COc1ccccc1N1CC[C@@H]([NH2+]Cc2cnc3ccc(C#N)cn23)C1=O ZINC000375315057 558008056 /nfs/dbraw/zinc/00/80/56/558008056.db2.gz XHZYUKYLNYTKAD-MRXNPFEDSA-N 1 0 361.405 2.110 20 30 FEEDRO C[C@@H](CO)[N@@H+]1CCCN(CC(=O)/C=C2/N(C)c3ccccc3C2(C)C)CC1 ZINC000375482151 558035282 /nfs/dbraw/zinc/03/52/82/558035282.db2.gz HZGCKXMQSNSMDD-JPOGYNCRSA-N 1 0 371.525 2.256 20 30 FEEDRO CC(C)(C)OC(=O)N1CCN([C@@H]2CC[N@H+](CCCSCC#N)C2)CC1 ZINC000375898105 558095689 /nfs/dbraw/zinc/09/56/89/558095689.db2.gz OVDUASYFXJJPNN-MRXNPFEDSA-N 1 0 368.547 2.260 20 30 FEEDRO CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCC(c2nnc3cc(C)ccn32)CC1 ZINC000376231554 558145250 /nfs/dbraw/zinc/14/52/50/558145250.db2.gz JADDSCNLTGQWMR-INIZCTEOSA-N 1 0 368.485 2.225 20 30 FEEDRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)c1ccc(C#Cc2ccccc2)cc1 ZINC000521667516 562181905 /nfs/dbraw/zinc/18/19/05/562181905.db2.gz ODUFKGZEEDEOLK-LJQANCHMSA-N 1 0 361.489 2.452 20 30 FEEDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000376348869 558161423 /nfs/dbraw/zinc/16/14/23/558161423.db2.gz HNUMEZRHROOZSZ-BLLLJJGKSA-N 1 0 353.875 2.459 20 30 FEEDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1ccc(-n2ncc(C#N)c2N)cc1 ZINC000376568845 558191949 /nfs/dbraw/zinc/19/19/49/558191949.db2.gz ISDFMRURIBUHFD-KSSFIOAISA-N 1 0 364.453 2.025 20 30 FEEDRO C#CCC(CC#C)C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000376674627 558206588 /nfs/dbraw/zinc/20/65/88/558206588.db2.gz TXEQNATZKQZFPJ-HXUWFJFHSA-N 1 0 365.477 2.454 20 30 FEEDRO Cc1ccc(C#N)c(N2CCC[C@H](C(=O)NCC[N@@H+](C)C3CCCC3)C2)n1 ZINC000376783001 558220927 /nfs/dbraw/zinc/22/09/27/558220927.db2.gz PGOMHIPWOMDYSM-SFHVURJKSA-N 1 0 369.513 2.469 20 30 FEEDRO C=CCN1C(=O)c2ccc(C(=O)N3[C@H](C)C[NH+](CC)C[C@H]3C)cc2C1=O ZINC000522030722 562189749 /nfs/dbraw/zinc/18/97/49/562189749.db2.gz NSVFUHGONJVTHB-ZIAGYGMSSA-N 1 0 355.438 2.023 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@@H]1CCC(=O)N[C@H]1C1CC1 ZINC000377404162 558334362 /nfs/dbraw/zinc/33/43/62/558334362.db2.gz XPBLWOMUCLHAOU-XCRHUMRWSA-N 1 0 361.511 2.298 20 30 FEEDRO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCCC[C@H]1C(=O)N1CCCC1 ZINC000377468712 558345894 /nfs/dbraw/zinc/34/58/94/558345894.db2.gz OVQMWQCCMBEPDN-HNNXBMFYSA-N 1 0 360.483 2.425 20 30 FEEDRO C=CCOc1ccc(/C=C/C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1OC ZINC000377472993 558346844 /nfs/dbraw/zinc/34/68/44/558346844.db2.gz PZWIBOOHIXICIC-VGSQKHLPSA-N 1 0 372.465 2.253 20 30 FEEDRO N#Cc1cccc(OCCCCC(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c1 ZINC000377610363 558376913 /nfs/dbraw/zinc/37/69/13/558376913.db2.gz WDMFOFSZFCBINN-VQTJNVASSA-N 1 0 371.481 2.165 20 30 FEEDRO C#Cc1ccccc1CC(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC000377939116 558449152 /nfs/dbraw/zinc/44/91/52/558449152.db2.gz JFAINZVBHOHYAC-GHTZIAJQSA-N 1 0 350.466 2.143 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N2CCC[C@H]2[C@H](O)c2ccc(OC)cc2)CC1 ZINC000378255122 558512636 /nfs/dbraw/zinc/51/26/36/558512636.db2.gz WISIIAIFHLLNCF-VQTJNVASSA-N 1 0 356.466 2.065 20 30 FEEDRO C[NH+]1CCC(CCNC(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)CC1 ZINC000378310421 558526313 /nfs/dbraw/zinc/52/63/13/558526313.db2.gz JRCMVRDDQPCKST-IBGZPJMESA-N 1 0 356.470 2.373 20 30 FEEDRO C=CCN(C(=O)[C@H](O)c1cccnc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000378318451 558528617 /nfs/dbraw/zinc/52/86/17/558528617.db2.gz UVRUCSWRMWCVEJ-WOJBJXKFSA-N 1 0 351.450 2.404 20 30 FEEDRO C#CCOc1ccc(C[NH+]2CCC(C(=O)Nc3cnccn3)CC2)cc1 ZINC000378331569 558531424 /nfs/dbraw/zinc/53/14/24/558531424.db2.gz FFXXJPACNMHPHQ-UHFFFAOYSA-N 1 0 350.422 2.339 20 30 FEEDRO C[C@@H]1CN(C(=O)Nc2ccc(F)c(C#N)c2)CCN1C1CC[NH+](C)CC1 ZINC000378365524 558540495 /nfs/dbraw/zinc/54/04/95/558540495.db2.gz KRDYTSWYHPROHW-CQSZACIVSA-N 1 0 359.449 2.330 20 30 FEEDRO C[NH+]1CCN(c2cc(C[NH2+][C@@H]3CCC[C@@H]4O[C@@H](CC#N)C[C@@H]43)ccn2)CC1 ZINC000378466225 558564193 /nfs/dbraw/zinc/56/41/93/558564193.db2.gz ZQUWVVFZAGUKQB-NMLBUPMWSA-N 1 0 369.513 2.163 20 30 FEEDRO CCOCCO[C@@H](C)C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000378485073 558567234 /nfs/dbraw/zinc/56/72/34/558567234.db2.gz YXWIAPYTRGEWIM-KRWDZBQOSA-N 1 0 359.470 2.103 20 30 FEEDRO Cn1cc(C[NH2+][C@@H]2CCO[C@@]3(CCOC3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000378486737 558567765 /nfs/dbraw/zinc/56/77/65/558567765.db2.gz WMJGPTAWZFAQLR-QUCCMNQESA-N 1 0 352.438 2.386 20 30 FEEDRO Cc1cc(=NC(=O)N2CCC3(C[C@@H]3C[N@@H+](C)C3CC3)CC2)[nH]n1CCC#N ZINC000378517960 558573434 /nfs/dbraw/zinc/57/34/34/558573434.db2.gz IPDAJNVUZMDOBE-MRXNPFEDSA-N 1 0 370.501 2.833 20 30 FEEDRO Cc1cc(=NC(=O)N[C@H]2CC[N@@H+](C3CCCCCC3)C2)[nH]n1CCC#N ZINC000378517167 558573617 /nfs/dbraw/zinc/57/36/17/558573617.db2.gz JQFXTLISPDJEDP-INIZCTEOSA-N 1 0 358.490 3.024 20 30 FEEDRO N#Cc1ccc(OC[C@H](O)C[NH2+]Cc2cnn(Cc3ccccc3)c2)cc1 ZINC000390263620 558611188 /nfs/dbraw/zinc/61/11/88/558611188.db2.gz OVJFVEKOMOICKU-HXUWFJFHSA-N 1 0 362.433 2.333 20 30 FEEDRO CCN(C[C@@H](C)C#N)S(=O)(=O)NC[C@@H](c1ccccc1)[NH+](CC)CC ZINC000409536313 558700943 /nfs/dbraw/zinc/70/09/43/558700943.db2.gz PSDHROFDJANXKR-WMZOPIPTSA-N 1 0 366.531 2.385 20 30 FEEDRO C[C@@H](C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1)n1cnc(C#N)n1 ZINC000409610098 558707328 /nfs/dbraw/zinc/70/73/28/558707328.db2.gz ZAUYUZSKNOVJGZ-INIZCTEOSA-N 1 0 366.469 2.403 20 30 FEEDRO C[C@H]1CN(c2ccc(C(F)(F)F)c(C#N)n2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000409719610 558716189 /nfs/dbraw/zinc/71/61/89/558716189.db2.gz ZCMKOFJWEWZUEM-BBRMVZONSA-N 1 0 367.419 2.434 20 30 FEEDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H](C)n1cnc(C#N)n1 ZINC000409757163 558718565 /nfs/dbraw/zinc/71/85/65/558718565.db2.gz DQFZWLDGAMBVIS-SJLPKXTDSA-N 1 0 366.469 2.081 20 30 FEEDRO CCN(C[C@H](C)C#N)S(=O)(=O)N(CC[NH+](C)C)Cc1cccc(C)c1 ZINC000410151233 558742201 /nfs/dbraw/zinc/74/22/01/558742201.db2.gz PLJADMQSLSWDGO-QGZVFWFLSA-N 1 0 366.531 2.085 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1cnc2cc[nH]cc-2c1=O)C(C)C ZINC000411370024 558886069 /nfs/dbraw/zinc/88/60/69/558886069.db2.gz SBLNQDHLQBWYIQ-SFHVURJKSA-N 1 0 354.454 2.352 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)c(F)c1 ZINC000525697087 562252519 /nfs/dbraw/zinc/25/25/19/562252519.db2.gz KCFGSYMOVVRWMR-HNNXBMFYSA-N 1 0 351.447 2.194 20 30 FEEDRO C=CC[C@H](Cc1ccccc1)NC(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000413311905 559097957 /nfs/dbraw/zinc/09/79/57/559097957.db2.gz JICPUAQHFGASAZ-AZUAARDMSA-N 1 0 358.530 2.357 20 30 FEEDRO C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)c1csnn1 ZINC000413805530 559131536 /nfs/dbraw/zinc/13/15/36/559131536.db2.gz AVJYXEQUCINYIY-CYBMUJFWSA-N 1 0 358.471 2.244 20 30 FEEDRO CN(CCC#N)C[C@@H](O)CSc1n[nH]c(-c2cc(F)cc(F)c2)n1 ZINC000414155073 559151061 /nfs/dbraw/zinc/15/10/61/559151061.db2.gz SQYAHXMFBGTYHC-CYBMUJFWSA-N 1 0 353.398 2.048 20 30 FEEDRO C=CCSCC[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000414322310 559156139 /nfs/dbraw/zinc/15/61/39/559156139.db2.gz FMSUXLBALJPSNS-UHFFFAOYSA-N 1 0 365.318 2.105 20 30 FEEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000415007724 559200450 /nfs/dbraw/zinc/20/04/50/559200450.db2.gz CXATUDKIECYHNK-CALCHBBNSA-N 1 0 354.454 2.184 20 30 FEEDRO CCN(C[C@H](C)C#N)C(=O)C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000415102469 559205325 /nfs/dbraw/zinc/20/53/25/559205325.db2.gz DRVUJJRSRXFOPH-SNVBAGLBSA-N 1 0 356.348 2.111 20 30 FEEDRO CC(C)CCN(CCC#N)C(=O)C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000415137336 559207914 /nfs/dbraw/zinc/20/79/14/559207914.db2.gz SYXLOUNBEKSGJL-UHFFFAOYSA-N 1 0 360.433 2.198 20 30 FEEDRO CC[NH2+]Cc1ccccc1NC(=O)C(=O)NC1(c2cccc(C#N)c2)CC1 ZINC000415182184 559212583 /nfs/dbraw/zinc/21/25/83/559212583.db2.gz QCRQYMFXTXRWDY-UHFFFAOYSA-N 1 0 362.433 2.412 20 30 FEEDRO C=CC[C@H]1N(C(=O)C(=O)Nc2cnc3c(c2)C[C@H]([NH3+])CC3)CCCC1(C)C ZINC000415196198 559213740 /nfs/dbraw/zinc/21/37/40/559213740.db2.gz RDOXYDKFLDYYLZ-CRAIPNDOSA-N 1 0 370.497 2.429 20 30 FEEDRO CC(C)c1ccc([C@H]([NH3+])CNC(=O)C(=O)Nc2ccc(C#N)cc2)cc1 ZINC000415378035 559229021 /nfs/dbraw/zinc/22/90/21/559229021.db2.gz GVOPDSSCJIUZDO-GOSISDBHSA-N 1 0 350.422 2.436 20 30 FEEDRO CCCN(C(=O)C(=O)Nc1ccccc1SC[C@@H](C)C#N)[C@H]1CC[NH2+]C1 ZINC000415402478 559231879 /nfs/dbraw/zinc/23/18/79/559231879.db2.gz KACHLCKVSBOIDM-GJZGRUSLSA-N 1 0 374.510 2.477 20 30 FEEDRO C[C@H]1CN(C(=O)C(=O)Nc2cccc(C#Cc3ccccc3)c2)CC[C@@H]1[NH3+] ZINC000415436745 559236640 /nfs/dbraw/zinc/23/66/40/559236640.db2.gz CBQRLZHQXPPAKV-JXFKEZNVSA-N 1 0 361.445 2.221 20 30 FEEDRO C[C@H]1CN(C(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)CC[NH2+]1 ZINC000415437240 559236758 /nfs/dbraw/zinc/23/67/58/559236758.db2.gz OZCBYOUYJCEAOI-AWEZNQCLSA-N 1 0 364.405 2.109 20 30 FEEDRO C[C@H]1CN(C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)CC[C@H]1[NH3+] ZINC000415437480 559236916 /nfs/dbraw/zinc/23/69/16/559236916.db2.gz CAZXIFGBYXYKKB-SMDDNHRTSA-N 1 0 358.833 2.598 20 30 FEEDRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 ZINC000415439141 559237098 /nfs/dbraw/zinc/23/70/98/559237098.db2.gz MOVBJTHOEXDRHV-HNNXBMFYSA-N 1 0 358.421 2.720 20 30 FEEDRO CCCC[C@H](C[NH3+])NC(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 ZINC000415455448 559238970 /nfs/dbraw/zinc/23/89/70/559238970.db2.gz JNQXVIJJIDHCGV-CYBMUJFWSA-N 1 0 360.849 3.036 20 30 FEEDRO N#Cc1ccc(NC(=O)C(=O)N2CCC([NH2+]CC3CC3)CC2)cc1Cl ZINC000415465540 559240213 /nfs/dbraw/zinc/24/02/13/559240213.db2.gz PKSXXQZVWJYJHD-UHFFFAOYSA-N 1 0 360.845 2.141 20 30 FEEDRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)Nc1cccc(C#Cc2ccccc2)c1 ZINC000415542719 559247904 /nfs/dbraw/zinc/24/79/04/559247904.db2.gz QPXPDCWOEVAQHB-LPHOPBHVSA-N 1 0 361.445 2.221 20 30 FEEDRO N#CCCCN1c2ccc(NC(=O)N[C@H](C[NH3+])C3CC3)cc2CCC1=O ZINC000415561415 559249935 /nfs/dbraw/zinc/24/99/35/559249935.db2.gz NCZAGHSUYYPAIE-MRXNPFEDSA-N 1 0 355.442 2.128 20 30 FEEDRO N#Cc1cc(NC(=O)C(=O)NCC2([NH3+])CCC2)ccc1Oc1ccccc1 ZINC000415567161 559250578 /nfs/dbraw/zinc/25/05/78/559250578.db2.gz UAZHRADUPUDQTC-UHFFFAOYSA-N 1 0 364.405 2.287 20 30 FEEDRO CCCC[C@H](C[NH3+])NC(=O)Nc1ccc(S(=O)(=O)[C@@H](C)C#N)cc1 ZINC000415603709 559254398 /nfs/dbraw/zinc/25/43/98/559254398.db2.gz UIRROVIQHIACOM-GXTWGEPZSA-N 1 0 352.460 2.011 20 30 FEEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000415683795 559261416 /nfs/dbraw/zinc/26/14/16/559261416.db2.gz ZVLSMQPOGLDHFT-KRWDZBQOSA-N 1 0 372.469 2.178 20 30 FEEDRO C=C(C)COc1cccc(NC(=O)C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000415721845 559265087 /nfs/dbraw/zinc/26/50/87/559265087.db2.gz KDSUKVBVLFQDBR-FQEVSTJZSA-N 1 0 357.454 2.182 20 30 FEEDRO C[C@@H](CCCC[NH3+])NC(=O)C(=O)Nc1scc(C(C)(C)C)c1C#N ZINC000415740348 559266487 /nfs/dbraw/zinc/26/64/87/559266487.db2.gz INNRYNHDFXBCED-NSHDSACASA-N 1 0 350.488 2.489 20 30 FEEDRO C[C@@H]1CN(C(=O)C(=O)Nc2scc(C(C)(C)C)c2C#N)C[C@@]1(C)C[NH3+] ZINC000415834162 559276603 /nfs/dbraw/zinc/27/66/03/559276603.db2.gz APRHWFOOUHMWIX-ADLMAVQZSA-N 1 0 362.499 2.299 20 30 FEEDRO C[C@H]1CCN(C(=O)C(=O)Nc2sc(C(C)(C)C)cc2C#N)C[C@@H]1C[NH3+] ZINC000415852296 559278646 /nfs/dbraw/zinc/27/86/46/559278646.db2.gz QMZKFVZLURTIJQ-AAEUAGOBSA-N 1 0 362.499 2.299 20 30 FEEDRO C[NH+](C)C1(CNS(=O)(=O)c2cc(Br)ccc2C#N)CCC1 ZINC000416476733 559316044 /nfs/dbraw/zinc/31/60/44/559316044.db2.gz YZICWTMEWHDWDH-UHFFFAOYSA-N 1 0 372.288 2.083 20 30 FEEDRO CC(C)Oc1ccc(NC(=O)N2C[C@H](C)[N@H+](CCO)C[C@H]2C)cc1C#N ZINC000416931502 559338924 /nfs/dbraw/zinc/33/89/24/559338924.db2.gz LQNYWBBAMJWZRY-LSDHHAIUSA-N 1 0 360.458 2.264 20 30 FEEDRO O=C(NCC#Cc1cccc(C(F)(F)F)c1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000416939528 559339316 /nfs/dbraw/zinc/33/93/16/559339316.db2.gz CVGUXKYGCBBCIH-CABCVRRESA-N 1 0 351.372 2.308 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCNC[C@@H]1c1cccnc1)C(C)C ZINC000417061772 559346340 /nfs/dbraw/zinc/34/63/40/559346340.db2.gz LGORUGZVHYRSFZ-WOJBJXKFSA-N 1 0 371.529 2.436 20 30 FEEDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)Nc1cc(C)c(N(C)C)cc1C#N ZINC000417127890 559349128 /nfs/dbraw/zinc/34/91/28/559349128.db2.gz HGQWSGBCXSPIJK-INIZCTEOSA-N 1 0 361.490 2.411 20 30 FEEDRO C[C@@H]1C[C@@H](NC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)CC[NH2+]1 ZINC000417582829 559367767 /nfs/dbraw/zinc/36/77/67/559367767.db2.gz VWCYFEAWQMIOIY-KBMXLJTQSA-N 1 0 359.449 2.106 20 30 FEEDRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000417584762 559367872 /nfs/dbraw/zinc/36/78/72/559367872.db2.gz YNNGDKNFYFZCPA-VNQPRFMTSA-N 1 0 359.449 2.045 20 30 FEEDRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000417584758 559367943 /nfs/dbraw/zinc/36/79/43/559367943.db2.gz YNNGDKNFYFZCPA-FVQBIDKESA-N 1 0 359.449 2.045 20 30 FEEDRO C=C(C)COCCNC(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000417890748 559380739 /nfs/dbraw/zinc/38/07/39/559380739.db2.gz OUZXRJVBZZIYOG-YOEHRIQHSA-N 1 0 353.413 2.302 20 30 FEEDRO CC(C)(CC#N)CNC(=O)C(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000418968908 559423944 /nfs/dbraw/zinc/42/39/44/559423944.db2.gz DARIZCOFFFAVPP-QGZVFWFLSA-N 1 0 352.438 2.012 20 30 FEEDRO C[C@@H](NC(=O)C(=O)NC[C@@H](C)C[NH3+])c1ccc(-c2cccc(C#N)c2)cc1 ZINC000419203990 559432516 /nfs/dbraw/zinc/43/25/16/559432516.db2.gz HKVJBDPMRACSAN-LSDHHAIUSA-N 1 0 364.449 2.113 20 30 FEEDRO N#CC[C@@H]1CC[C@H]([NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)C1 ZINC000419712731 559455679 /nfs/dbraw/zinc/45/56/79/559455679.db2.gz PNFIKTUPXFATMD-JQWIXIFHSA-N 1 0 372.288 2.268 20 30 FEEDRO CN(CCCN1CC[NH+](C)CC1)C(=O)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000419645336 559451390 /nfs/dbraw/zinc/45/13/90/559451390.db2.gz PKRFCRUPMXRDGW-HXUWFJFHSA-N 1 0 369.513 2.215 20 30 FEEDRO C=CCC[C@H](NC(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1ccccc1 ZINC000419669929 559452851 /nfs/dbraw/zinc/45/28/51/559452851.db2.gz WAEKOWIUYNSVFU-OKYOBFRVSA-N 1 0 355.482 2.314 20 30 FEEDRO C=C(C)[C@H](NC(=O)C(=O)N(CCC)[C@H]1CC[NH2+]C1)c1ccc(F)c(F)c1 ZINC000419668959 559452882 /nfs/dbraw/zinc/45/28/82/559452882.db2.gz BCPFYUBTHWMBEI-YOEHRIQHSA-N 1 0 365.424 2.299 20 30 FEEDRO C=C(C)[C@@H](NC(=O)C(=O)N(C)CC(C)(C)C[NH3+])c1ccc(F)c(F)c1 ZINC000419672982 559453097 /nfs/dbraw/zinc/45/30/97/559453097.db2.gz GYDGCPHIQIKLQS-OAHLLOKOSA-N 1 0 353.413 2.142 20 30 FEEDRO C=C(C)[C@H](NC(=O)C(=O)N[C@@H](C[NH3+])CCCC)c1ccc(F)c(F)c1 ZINC000419678569 559453428 /nfs/dbraw/zinc/45/34/28/559453428.db2.gz OJHYETHXTADHHA-CJNGLKHVSA-N 1 0 353.413 2.332 20 30 FEEDRO CC(C)N(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000419962916 559466523 /nfs/dbraw/zinc/46/65/23/559466523.db2.gz HJJUNXWBSQRFQW-IBGZPJMESA-N 1 0 370.497 2.319 20 30 FEEDRO C[NH+](C)CC[C@@](C)(O)CNC(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC000420031777 559469679 /nfs/dbraw/zinc/46/96/79/559469679.db2.gz FSCPXNIIVPJPSN-HXUWFJFHSA-N 1 0 371.437 2.163 20 30 FEEDRO CC1(C)C[NH2+]CC[C@H]1NS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000420464064 559488816 /nfs/dbraw/zinc/48/88/16/559488816.db2.gz OUZHDJMQBNHTJH-CYBMUJFWSA-N 1 0 361.389 2.243 20 30 FEEDRO COc1cc(C#N)ccc1S(=O)(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000420465803 559488964 /nfs/dbraw/zinc/48/89/64/559488964.db2.gz QKXATEIBMXWUGR-MRXNPFEDSA-N 1 0 359.451 2.325 20 30 FEEDRO C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000421508531 559543977 /nfs/dbraw/zinc/54/39/77/559543977.db2.gz FIOCWNZBMZSYDQ-HKUYNNGSSA-N 1 0 357.498 2.138 20 30 FEEDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)COc1ccc(C#N)c(Br)c1 ZINC000421708875 559550207 /nfs/dbraw/zinc/55/02/07/559550207.db2.gz BIITYNHBYFCJBU-ZDUSSCGKSA-N 1 0 366.259 2.252 20 30 FEEDRO Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N(C)C[C@@H]3CCC[N@@H+]3C)C2)n1 ZINC000421715133 559550654 /nfs/dbraw/zinc/55/06/54/559550654.db2.gz XBQXIASXWNAOMY-MSOLQXFVSA-N 1 0 355.486 2.031 20 30 FEEDRO C[C@H]([NH2+]C(C)(C)CNC(=O)C(=O)NCC(C)(C)CC#N)c1ccccc1 ZINC000422300516 559576759 /nfs/dbraw/zinc/57/67/59/559576759.db2.gz VHROHYPONQELIB-HNNXBMFYSA-N 1 0 358.486 2.288 20 30 FEEDRO C[C@H]1CCN(C(=O)C(=O)NCC(C)(C)CC#N)CC[N@@H+]1Cc1ccccc1 ZINC000422489663 559591614 /nfs/dbraw/zinc/59/16/14/559591614.db2.gz PXWZVCLKKIRGKN-KRWDZBQOSA-N 1 0 370.497 2.165 20 30 FEEDRO C[C@@H](C(=O)NC1(C#N)CCC1)N(C)[C@H]1CCCN(c2ccccc2)C1=O ZINC000527298319 562284388 /nfs/dbraw/zinc/28/43/88/562284388.db2.gz ASOVSZGKWMNKMK-RDJZCZTQSA-N 1 0 354.454 2.065 20 30 FEEDRO COc1cc(CNC(=O)[C@@H]([NH3+])CCCC#N)ccc1OCC(F)(F)F ZINC000424088734 559654478 /nfs/dbraw/zinc/65/44/78/559654478.db2.gz HEAPPVJSMJVUCI-LBPRGKRZSA-N 1 0 359.348 2.274 20 30 FEEDRO C=CCN(C(=O)CC[C@@H]([NH3+])CC1CCCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000424102165 559654829 /nfs/dbraw/zinc/65/48/29/559654829.db2.gz OBNPSMBDGOXOFZ-SJORKVTESA-N 1 0 356.532 2.266 20 30 FEEDRO C=CCN(C(=O)CC[C@H]([NH3+])CC1CCCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000424102163 559654847 /nfs/dbraw/zinc/65/48/47/559654847.db2.gz OBNPSMBDGOXOFZ-IRXDYDNUSA-N 1 0 356.532 2.266 20 30 FEEDRO N#CCCC[C@@H]([NH3+])C(=O)N[C@@H]1CCN(c2ccccc2OC(F)F)C1 ZINC000424150857 559656275 /nfs/dbraw/zinc/65/62/75/559656275.db2.gz ZRPXMFNHPBDTQQ-CHWSQXEVSA-N 1 0 352.385 2.004 20 30 FEEDRO N#CCCC[C@@H]([NH3+])C(=O)N1CCC[C@@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000424164993 559656618 /nfs/dbraw/zinc/65/66/18/559656618.db2.gz CXMPTWRHAHSTEG-HZPDHXFCSA-N 1 0 352.442 2.199 20 30 FEEDRO COc1cc(NC(=O)[C@H]([NH3+])CCCC#N)cc(OC)c1Br ZINC000424163773 559656630 /nfs/dbraw/zinc/65/66/30/559656630.db2.gz AQKHMSLAGZFGHK-SNVBAGLBSA-N 1 0 356.220 2.426 20 30 FEEDRO CN(C)Cc1ccc(NC(=O)[C@@H]([NH3+])CCCC#N)cc1Br ZINC000424178280 559656756 /nfs/dbraw/zinc/65/67/56/559656756.db2.gz WKSLKTLZVDGBGS-AWEZNQCLSA-N 1 0 353.264 2.470 20 30 FEEDRO C=CCn1cc(CNCc2ccccc2N(C)C2CC[NH+](C)CC2)nn1 ZINC000424173425 559656781 /nfs/dbraw/zinc/65/67/81/559656781.db2.gz PVPZXAQFIBPCHY-UHFFFAOYSA-N 1 0 354.502 2.284 20 30 FEEDRO CCOC(=O)c1csc(C2CCN(C(=O)[C@@H]([NH3+])CCCC#N)CC2)n1 ZINC000424183111 559656983 /nfs/dbraw/zinc/65/69/83/559656983.db2.gz BSQFVPLYZSNPSN-ZDUSSCGKSA-N 1 0 364.471 2.047 20 30 FEEDRO N#CCCC[C@@H]([NH3+])C(=O)N[C@H](c1nc[nH]n1)c1cccc(C(F)(F)F)c1 ZINC000424192378 559657251 /nfs/dbraw/zinc/65/72/51/559657251.db2.gz SCTWTEZVRWUQRX-OLZOCXBDSA-N 1 0 366.347 2.050 20 30 FEEDRO C=C(C)Cn1c(-c2ccc[nH]2)nnc1N1CC[NH+](C(C)(C)COC)CC1 ZINC000424219256 559658310 /nfs/dbraw/zinc/65/83/10/559658310.db2.gz CWDGGKMHXUNWAM-UHFFFAOYSA-N 1 0 358.490 2.396 20 30 FEEDRO Cc1cc(NCc2cccc(OCCN3CCOCC3)c2)c(C#N)cn1 ZINC000425217235 559691874 /nfs/dbraw/zinc/69/18/74/559691874.db2.gz UEQPMDRPFJCOLS-UHFFFAOYSA-N 1 0 352.438 2.007 20 30 FEEDRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(c2ncc3c(c2C#N)CCC3)CC1 ZINC000425230089 559692492 /nfs/dbraw/zinc/69/24/92/559692492.db2.gz URHPLLWMIJCEIT-CALCHBBNSA-N 1 0 353.514 2.437 20 30 FEEDRO COCC[NH+](CCOC)C1CCN(c2c(C#N)cccc2[N+](=O)[O-])CC1 ZINC000425253355 559693237 /nfs/dbraw/zinc/69/32/37/559693237.db2.gz KOALKIBJMWOWNT-UHFFFAOYSA-N 1 0 362.430 2.030 20 30 FEEDRO C[NH+](C)C1(CNS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)CCC1 ZINC000527326941 562285506 /nfs/dbraw/zinc/28/55/06/562285506.db2.gz SZNMGMPDQURANI-UHFFFAOYSA-N 1 0 361.389 2.340 20 30 FEEDRO C=CCn1cc(CNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)nn1 ZINC000425469991 559703977 /nfs/dbraw/zinc/70/39/77/559703977.db2.gz FGMUZBQUSDKQHH-FUHWJXTLSA-N 1 0 368.485 2.316 20 30 FEEDRO CC[NH+]1CCC(CCNC(=O)C(=O)N(C)[C@H](C)c2cccc(C#N)c2)CC1 ZINC000425889215 559724163 /nfs/dbraw/zinc/72/41/63/559724163.db2.gz UTKNVTITIAPQRO-MRXNPFEDSA-N 1 0 370.497 2.316 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)CCCOc2ccc3c(c2)NC(=O)CC3)CC1 ZINC000426352317 559733220 /nfs/dbraw/zinc/73/32/20/559733220.db2.gz LRVWIJIMTWYEOO-UHFFFAOYSA-N 1 0 371.481 2.497 20 30 FEEDRO N#Cc1cc(N2CC[NH+](C[C@@H]3CCOC3)CC2)nc2ccc([N+](=O)[O-])cc12 ZINC000426899250 559743903 /nfs/dbraw/zinc/74/39/03/559743903.db2.gz ZMJCLAXVHQWVPD-AWEZNQCLSA-N 1 0 367.409 2.173 20 30 FEEDRO Cc1ncc(S(=O)(=O)Nc2ccc(OCC[NH+](C)C)cc2)cc1C#N ZINC000427314308 559752976 /nfs/dbraw/zinc/75/29/76/559752976.db2.gz JEFIPTVHZUVOGS-UHFFFAOYSA-N 1 0 360.439 2.003 20 30 FEEDRO C=C[C@@H]1CCCCN1C(=O)C(=O)Nc1cccc(N2CC[NH+](CC)CC2)c1 ZINC000427663703 559760074 /nfs/dbraw/zinc/76/00/74/559760074.db2.gz PHSXDBDGONAFRI-GOSISDBHSA-N 1 0 370.497 2.334 20 30 FEEDRO N#Cc1ncccc1S(=O)(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000428268731 559772568 /nfs/dbraw/zinc/77/25/68/559772568.db2.gz GNZNQTVHGQNSCZ-UHFFFAOYSA-N 1 0 362.499 2.420 20 30 FEEDRO N#Cc1ccc(C[C@@H](C#N)C(=O)Nc2cccc(C[N@H+]3CC[C@@H](O)C3)c2)cc1 ZINC000428549550 559777711 /nfs/dbraw/zinc/77/77/11/559777711.db2.gz QBCMAOGHUXGAAI-PZJWPPBQSA-N 1 0 374.444 2.446 20 30 FEEDRO COC(=O)c1ccccc1OCC[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000428785561 559783259 /nfs/dbraw/zinc/78/32/59/559783259.db2.gz GVGCVGWJOOVUHT-INIZCTEOSA-N 1 0 367.405 2.272 20 30 FEEDRO CNC(=O)[C@H]1CCC[C@@H]1[NH2+]CC(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000429777432 559805647 /nfs/dbraw/zinc/80/56/47/559805647.db2.gz XVLVYISXCVPCNU-ROUUACIJSA-N 1 0 356.470 2.054 20 30 FEEDRO Cc1c2cc(C#N)ccc2sc1C(=O)NCCCN1CC[NH+](C)CC1 ZINC000429911753 559808561 /nfs/dbraw/zinc/80/85/61/559808561.db2.gz SWVTZWRIEXMKBF-UHFFFAOYSA-N 1 0 356.495 2.449 20 30 FEEDRO COc1ccc(C#N)cc1NC(=O)N1CCN(c2cc[nH+]cc2OC)CC1 ZINC000432006464 559850149 /nfs/dbraw/zinc/85/01/49/559850149.db2.gz JNSSYNVUWGSMJF-UHFFFAOYSA-N 1 0 367.409 2.325 20 30 FEEDRO CN(C)c1cc(C#N)cc(C(=O)N2CCC(CC[NH+]3CCOCC3)CC2)c1 ZINC000433240107 559874422 /nfs/dbraw/zinc/87/44/22/559874422.db2.gz KNHURFNPKKKEQO-UHFFFAOYSA-N 1 0 370.497 2.199 20 30 FEEDRO N#Cc1ccc(OCC(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)cc1 ZINC000434159763 559894951 /nfs/dbraw/zinc/89/49/51/559894951.db2.gz NDWXEJWLJSYJBA-UHFFFAOYSA-N 1 0 371.481 2.336 20 30 FEEDRO COc1cc[nH+]c(N2CCN(C(=O)C3(c4cccc(C#N)c4)CC3)CC2)c1 ZINC000435010024 559914158 /nfs/dbraw/zinc/91/41/58/559914158.db2.gz XAKXDMLQFIAAEK-UHFFFAOYSA-N 1 0 362.433 2.342 20 30 FEEDRO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCC[C@@](COC)(C(=O)OCC)C1 ZINC000439479465 559995050 /nfs/dbraw/zinc/99/50/50/559995050.db2.gz SKDZLXDUEBXRPX-VQIMIIECSA-N 1 0 354.491 2.091 20 30 FEEDRO COc1cc(C[NH2+][C@H]2CC(=O)N(CCOc3ccccc3)C2)ccc1C#N ZINC000440814579 560018815 /nfs/dbraw/zinc/01/88/15/560018815.db2.gz DUCPNWDQEKVKBM-SFHVURJKSA-N 1 0 365.433 2.336 20 30 FEEDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000441269891 560027601 /nfs/dbraw/zinc/02/76/01/560027601.db2.gz SQBWBTIWZGGXFZ-KZNAEPCWSA-N 1 0 367.453 2.292 20 30 FEEDRO N#Cc1ccc(C[NH2+]CCNS(=O)(=O)c2ccc(Cl)cc2F)cc1 ZINC000441375293 560030226 /nfs/dbraw/zinc/03/02/26/560030226.db2.gz HTRNMPVLOORUMS-UHFFFAOYSA-N 1 0 367.833 2.419 20 30 FEEDRO Cc1cccc(NC(=O)C(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)c1C#N ZINC000441595018 560035946 /nfs/dbraw/zinc/03/59/46/560035946.db2.gz YPFWKJKYSNAUDH-QGZVFWFLSA-N 1 0 364.449 2.094 20 30 FEEDRO CCC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000441966846 560041659 /nfs/dbraw/zinc/04/16/59/560041659.db2.gz CXISVEQELWNNOW-UHFFFAOYSA-N 1 0 356.470 2.417 20 30 FEEDRO C[C@H]1C[C@H](NC(=O)C(=O)Nc2ccccc2SCCC#N)CC[N@@H+]1C ZINC000442126014 560044351 /nfs/dbraw/zinc/04/43/51/560044351.db2.gz FZJIEERDIUESCK-UONOGXRCSA-N 1 0 360.483 2.230 20 30 FEEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000442144976 560044965 /nfs/dbraw/zinc/04/49/65/560044965.db2.gz YWDXKCHEMUHMTB-ILXRZTDVSA-N 1 0 374.510 2.476 20 30 FEEDRO N#C[C@@H]1CC[C@H]([NH2+]Cc2cccc(NC(=O)CCN3CCOCC3)c2)C1 ZINC000442717988 560055116 /nfs/dbraw/zinc/05/51/16/560055116.db2.gz PMPRJTGVCITJKM-AEFFLSMTSA-N 1 0 356.470 2.129 20 30 FEEDRO CCC[C@H]1CN(C(=O)NCC2CCC(C#N)CC2)CC[N@@H+]1CCOC ZINC000442725520 560055385 /nfs/dbraw/zinc/05/53/85/560055385.db2.gz YYVYABZCHQYUEZ-ABHNRTSZSA-N 1 0 350.507 2.459 20 30 FEEDRO CCOc1ccnc(N2CCC[N@H+](Cc3ccc(C#N)c(OC)c3)CC2)n1 ZINC000442881143 560060931 /nfs/dbraw/zinc/06/09/31/560060931.db2.gz LUMHSVUSTUUCNV-UHFFFAOYSA-N 1 0 367.453 2.468 20 30 FEEDRO CCCC[N@H+](C)CCNS(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000443470157 560084709 /nfs/dbraw/zinc/08/47/09/560084709.db2.gz ATJSIVLDWGQHBF-UHFFFAOYSA-N 1 0 374.304 2.331 20 30 FEEDRO CN(CC[N@H+](C)C1CC1)C(=O)NC1CCC(Oc2ncccc2C#N)CC1 ZINC000446634530 560148795 /nfs/dbraw/zinc/14/87/95/560148795.db2.gz MIFHOLBACMWCLG-UHFFFAOYSA-N 1 0 371.485 2.379 20 30 FEEDRO COc1cc(OC)nc(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000448163213 560179458 /nfs/dbraw/zinc/17/94/58/560179458.db2.gz CGZCCSXWXZTLMV-UHFFFAOYSA-N 1 0 353.426 2.078 20 30 FEEDRO C=CCOc1cccc(NC(=O)C(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)c1 ZINC000448323470 560184411 /nfs/dbraw/zinc/18/44/11/560184411.db2.gz XVOWJPUIQXZCNJ-KRWDZBQOSA-N 1 0 359.470 2.427 20 30 FEEDRO Cc1[nH]c(C#N)cc1C(=O)NCCC[N@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000448676868 560193572 /nfs/dbraw/zinc/19/35/72/560193572.db2.gz JZGDTPPKTJEZBN-FQEVSTJZSA-N 1 0 365.481 2.303 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000448855597 560203045 /nfs/dbraw/zinc/20/30/45/560203045.db2.gz ZHHWBVZYDWQKNQ-OGWOLHLISA-N 1 0 361.461 2.346 20 30 FEEDRO C=CCC1(C(=O)N2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)CCCC1 ZINC000449845634 560242353 /nfs/dbraw/zinc/24/23/53/560242353.db2.gz RBZQSSYEAVIAQI-LJQANCHMSA-N 1 0 363.546 2.376 20 30 FEEDRO Cn1c(C#N)ccc1C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cn1 ZINC000450134134 560251736 /nfs/dbraw/zinc/25/17/36/560251736.db2.gz NSYAMEYISHYLAB-UHFFFAOYSA-N 1 0 352.442 2.074 20 30 FEEDRO C=CCOc1ccc(CC(=O)N2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)cc1 ZINC000450367699 560260256 /nfs/dbraw/zinc/26/02/56/560260256.db2.gz YZHWYUNJUNRCOV-GOSISDBHSA-N 1 0 371.525 2.421 20 30 FEEDRO C=CCc1ccccc1OC[C@@H](O)C[NH2+][C@@](C)(CO)c1cccc(O)c1 ZINC000451039967 560284211 /nfs/dbraw/zinc/28/42/11/560284211.db2.gz QKANHJBZEISGKL-FPOVZHCZSA-N 1 0 357.450 2.358 20 30 FEEDRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNS(=O)(=O)Cc1ccc(F)cc1C#N ZINC000451177593 560291646 /nfs/dbraw/zinc/29/16/46/560291646.db2.gz WPDMKLPSKJYVDV-ZIAGYGMSSA-N 1 0 353.463 2.380 20 30 FEEDRO CS[C@@H]1CN(S(=O)(=O)c2ccc(CC#N)cc2Cl)C[C@H]1[NH+](C)C ZINC000451351774 560302097 /nfs/dbraw/zinc/30/20/97/560302097.db2.gz JSEOLVUJKOHPRV-ZIAGYGMSSA-N 1 0 373.931 2.072 20 30 FEEDRO CCN(C[C@@H](C)C#N)C(=O)CN1CC[N@H+](Cc2ccccc2)C[C@@H](C)C1 ZINC000451703128 560323221 /nfs/dbraw/zinc/32/32/21/560323221.db2.gz DOCRMHOTMOEOHG-RBUKOAKNSA-N 1 0 356.514 2.448 20 30 FEEDRO C=C(C)Cn1c([C@@H](C)OCCOC)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC000453454731 560387120 /nfs/dbraw/zinc/38/71/20/560387120.db2.gz QSAGSONDPQYMBV-QGZVFWFLSA-N 1 0 365.522 2.499 20 30 FEEDRO C=C(C)Cn1c([C@@H]2CCCO2)nnc1N1CC[N@@H+](CCOCC)[C@H](C)C1 ZINC000453459535 560387211 /nfs/dbraw/zinc/38/72/11/560387211.db2.gz CRLXNDVWAUOPAB-SJORKVTESA-N 1 0 363.506 2.253 20 30 FEEDRO Cc1nc(NC(=O)C(=O)NC[C@H](C(C)C)[NH+]2CCC(C)CC2)ccc1C#N ZINC000453590113 560389991 /nfs/dbraw/zinc/38/99/91/560389991.db2.gz GMNCIECCCOWFRL-QGZVFWFLSA-N 1 0 371.485 2.073 20 30 FEEDRO Cc1cc(C#N)cc(NC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000453647170 560393156 /nfs/dbraw/zinc/39/31/56/560393156.db2.gz HXJWIBMAMPXPNB-GOSISDBHSA-N 1 0 354.454 2.282 20 30 FEEDRO N#CCc1ccc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)c(Cl)c1 ZINC000453647326 560393173 /nfs/dbraw/zinc/39/31/73/560393173.db2.gz VSFUYGMLPZBYJF-AWEZNQCLSA-N 1 0 374.872 2.478 20 30 FEEDRO N#CCc1cccc(NC(=O)C(=O)N2CCC[N@@H+](C3CCCC3)CC2)c1 ZINC000453649373 560393288 /nfs/dbraw/zinc/39/32/88/560393288.db2.gz LDLYPVGDSAJBFA-UHFFFAOYSA-N 1 0 354.454 2.168 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(C(=O)C(C)C)cc2)CC1 ZINC000453669728 560395244 /nfs/dbraw/zinc/39/52/44/560395244.db2.gz YVZHHQFVNDUQLX-UHFFFAOYSA-N 1 0 357.454 2.230 20 30 FEEDRO C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)Nc3ccc(CC#N)cc3Cl)CC[C@@H]21 ZINC000453670694 560395406 /nfs/dbraw/zinc/39/54/06/560395406.db2.gz JLKRTNMRDUKIKY-YOEHRIQHSA-N 1 0 374.872 2.287 20 30 FEEDRO C[C@H]1C[C@H](NC(=O)C(=O)Nc2ccc(CC#N)cc2Cl)C[N@@H+]1C1CC1 ZINC000453681424 560396261 /nfs/dbraw/zinc/39/62/61/560396261.db2.gz UYCIBLPBBKJVJV-AAEUAGOBSA-N 1 0 360.845 2.086 20 30 FEEDRO CCC[N@H+](CC)CCNC(=O)C(=O)Nc1ccc(CC#N)cc1Cl ZINC000453684122 560396528 /nfs/dbraw/zinc/39/65/28/560396528.db2.gz AUBYFEOAWSJGFU-UHFFFAOYSA-N 1 0 350.850 2.193 20 30 FEEDRO Cc1cc(C#N)cc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)c1 ZINC000453688833 560396899 /nfs/dbraw/zinc/39/68/99/560396899.db2.gz HNUQASLQIFZWGD-OALUTQOASA-N 1 0 362.433 2.367 20 30 FEEDRO Cc1cc(C#N)cc(NC(=O)C(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)c1 ZINC000453701628 560397947 /nfs/dbraw/zinc/39/79/47/560397947.db2.gz UDUZMYLJADAYKP-UHFFFAOYSA-N 1 0 368.412 2.193 20 30 FEEDRO CN(CC[NH+]1CCCC1)C(=O)C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 ZINC000453704054 560398125 /nfs/dbraw/zinc/39/81/25/560398125.db2.gz CUCPSRAUGODBBP-UHFFFAOYSA-N 1 0 372.469 2.228 20 30 FEEDRO C[C@@H](NC(=O)C(=O)Nc1cccc(CC#N)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000453704797 560398190 /nfs/dbraw/zinc/39/81/90/560398190.db2.gz TXMYZMQXEGKAQD-WBVHZDCISA-N 1 0 368.481 2.460 20 30 FEEDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)Nc1ccc(CC#N)cc1Cl ZINC000453713521 560399050 /nfs/dbraw/zinc/39/90/50/560399050.db2.gz INVAYAPUVQZKEK-MLGOLLRUSA-N 1 0 362.861 2.143 20 30 FEEDRO C[NH+](C)[C@H]1CCCN(C(=O)C(=O)Nc2ccc(CC#N)cc2Cl)CC1 ZINC000453758985 560402097 /nfs/dbraw/zinc/40/20/97/560402097.db2.gz ROEWOHKWTWGNJV-AWEZNQCLSA-N 1 0 362.861 2.287 20 30 FEEDRO CN(CCC[N@H+](C)Cc1ccco1)C(=O)C(=O)Nc1cccc(CC#N)c1 ZINC000453761926 560402422 /nfs/dbraw/zinc/40/24/22/560402422.db2.gz VWMDOULIJRWWHE-UHFFFAOYSA-N 1 0 368.437 2.265 20 30 FEEDRO C[N@@H+]1CCC[C@]2(CCN(C(=O)C(=O)Nc3ccc(CC#N)cc3Cl)C2)C1 ZINC000453772720 560403394 /nfs/dbraw/zinc/40/33/94/560403394.db2.gz QFRMWXSTTUFDAG-IBGZPJMESA-N 1 0 374.872 2.289 20 30 FEEDRO CC(C)Oc1ccc(NC(=O)C(=O)NCCCC[N@H+](C)C2CC2)cc1C#N ZINC000454103013 560429460 /nfs/dbraw/zinc/42/94/60/560429460.db2.gz LXWVPLWUYIVWLU-UHFFFAOYSA-N 1 0 372.469 2.275 20 30 FEEDRO COc1cc[nH+]c(N2CCN(C(=O)NCc3ccc(C#N)c(F)c3)CC2)c1 ZINC000455529946 560485907 /nfs/dbraw/zinc/48/59/07/560485907.db2.gz BZPHYEBYDLCBMY-UHFFFAOYSA-N 1 0 369.400 2.133 20 30 FEEDRO C[NH+](C)[C@H]1CCc2cc(NC(=O)CNC(=O)c3ccc(C#N)cc3)ccc21 ZINC000456281379 560514052 /nfs/dbraw/zinc/51/40/52/560514052.db2.gz REFJQOZSNZGGET-IBGZPJMESA-N 1 0 362.433 2.476 20 30 FEEDRO CC(C)(CC#N)CNC(=O)NCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000458663976 560639291 /nfs/dbraw/zinc/63/92/91/560639291.db2.gz VBGOQRXXOPDHKG-SFHVURJKSA-N 1 0 358.486 2.382 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCC[C@H]1CCOC1 ZINC000459079786 560665536 /nfs/dbraw/zinc/66/55/36/560665536.db2.gz REEHLCQLAFIEKC-IBGZPJMESA-N 1 0 358.486 2.448 20 30 FEEDRO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC[C@@](C)(C(=O)OC(C)(C)C)C1 ZINC000459586739 560696007 /nfs/dbraw/zinc/69/60/07/560696007.db2.gz PMBJJONLYQIMAB-ZMYBRWDISA-N 1 0 351.491 2.483 20 30 FEEDRO CN(CCC#N)C(=O)CC[N@@H+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459674480 560701621 /nfs/dbraw/zinc/70/16/21/560701621.db2.gz ZEPUIKVHBQYCDO-CQSZACIVSA-N 1 0 361.408 2.430 20 30 FEEDRO N#Cc1ccccc1COc1cccc(C[N@H+]2CCC[C@@](O)(CO)C2)c1 ZINC000459744612 560705739 /nfs/dbraw/zinc/70/57/39/560705739.db2.gz ZTAYXGUJWCUZOD-NRFANRHFSA-N 1 0 352.434 2.456 20 30 FEEDRO COC(=O)[C@@H](Nc1cccc(C[N@@H+]2CC[C@@H](O)C2)c1)c1cccc(C#N)c1 ZINC000461098377 560761319 /nfs/dbraw/zinc/76/13/19/560761319.db2.gz OVFJCVBGLZARGZ-UXHICEINSA-N 1 0 365.433 2.451 20 30 FEEDRO CC(=O)N1CCC([NH2+][C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)CC1 ZINC000461617521 560777081 /nfs/dbraw/zinc/77/70/81/560777081.db2.gz GVJMRMBWZSENPK-AWEZNQCLSA-N 1 0 360.433 2.061 20 30 FEEDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)c1ccc(-n2ncc(C#N)c2N)cc1 ZINC000461621409 560777325 /nfs/dbraw/zinc/77/73/25/560777325.db2.gz UZCNZOFDGGCBMK-CQSZACIVSA-N 1 0 354.458 2.176 20 30 FEEDRO N#C[C@@H]1CCC[C@H]1NC(=O)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000461778038 560783058 /nfs/dbraw/zinc/78/30/58/560783058.db2.gz WHVMQAWSZUNTIY-FUHWJXTLSA-N 1 0 354.454 2.072 20 30 FEEDRO Cc1cccc(N2CC[NH+](CCCNC(=O)N[C@H]3CCC[C@H]3C#N)CC2)c1 ZINC000461964636 560790044 /nfs/dbraw/zinc/79/00/44/560790044.db2.gz VTTZFDSYSZCMFM-ICSRJNTNSA-N 1 0 369.513 2.499 20 30 FEEDRO COc1cc(C#N)ccc1S(=O)(=O)NC[C@@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000463672195 560820827 /nfs/dbraw/zinc/82/08/27/560820827.db2.gz IFVPTLMCAZGIMT-UONOGXRCSA-N 1 0 351.472 2.108 20 30 FEEDRO C[C@@H]1C[C@@H](NC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)CC[N@@H+]1C ZINC000465874271 560874575 /nfs/dbraw/zinc/87/45/75/560874575.db2.gz MNYQLFGNTALBDH-HYVNUMGLSA-N 1 0 373.476 2.448 20 30 FEEDRO Cc1ccc(NC(=O)c2ccc(C#N)nc2)cc1NC(=O)CC[NH+](C)C ZINC000466245372 560882718 /nfs/dbraw/zinc/88/27/18/560882718.db2.gz HYUVUBCYTSSGSJ-UHFFFAOYSA-N 1 0 351.410 2.404 20 30 FEEDRO N#Cc1ccc(NC(=O)CC[N@H+]2CCSC[C@H]2CCO)cc1Cl ZINC000470210937 560976663 /nfs/dbraw/zinc/97/66/63/560976663.db2.gz XKUGJYGWHJVOHI-CQSZACIVSA-N 1 0 353.875 2.340 20 30 FEEDRO C[NH2+]C(C)(C)CNC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N ZINC000470536609 560984306 /nfs/dbraw/zinc/98/43/06/560984306.db2.gz FXCCJZFMPDTUFR-UHFFFAOYSA-N 1 0 357.458 2.389 20 30 FEEDRO C=CCOCCC[N@H+]1CCC[C@@H](NS(=O)(=O)c2cccc(F)c2)C1 ZINC000470780808 560989518 /nfs/dbraw/zinc/98/95/18/560989518.db2.gz IOLODDZQKMDBHA-MRXNPFEDSA-N 1 0 356.463 2.161 20 30 FEEDRO N#C[C@H](c1cccc(Cl)c1)N1CC[NH+](CCCN2CCOCC2)CC1 ZINC000471005673 560996207 /nfs/dbraw/zinc/99/62/07/560996207.db2.gz HRQJONLHRAFGKE-LJQANCHMSA-N 1 0 362.905 2.245 20 30 FEEDRO Cn1cc(C#N)cc1C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000471573079 561007560 /nfs/dbraw/zinc/00/75/60/561007560.db2.gz JHBRUKVUZMILLN-UHFFFAOYSA-N 1 0 352.438 2.301 20 30 FEEDRO CN(C)C(=O)CC[NH+]1CCN(c2ccc(C(F)(F)F)cc2C#N)CC1 ZINC000471708386 561010756 /nfs/dbraw/zinc/01/07/56/561010756.db2.gz CZUYBPUUZUHBGA-UHFFFAOYSA-N 1 0 354.376 2.177 20 30 FEEDRO Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N3CC[N@@H+](C)CC[C@@H]3C)C2)n1 ZINC000471953477 561014897 /nfs/dbraw/zinc/01/48/97/561014897.db2.gz QLEADHPNSNRUTK-WMZOPIPTSA-N 1 0 355.486 2.031 20 30 FEEDRO CCCC[N@H+](C)CCNC(=O)[C@@H]1CCCN(c2nc(C)ccc2C#N)C1 ZINC000471957413 561015116 /nfs/dbraw/zinc/01/51/16/561015116.db2.gz UZEXQOTXYOHULS-GOSISDBHSA-N 1 0 357.502 2.326 20 30 FEEDRO CC[NH+](CC)[C@H](C)CNC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000472109082 561018409 /nfs/dbraw/zinc/01/84/09/561018409.db2.gz VWPXYBIXANLDIB-CRAIPNDOSA-N 1 0 371.485 2.083 20 30 FEEDRO CC[NH+](CC)CCO[C@@H]1CCN(CC(=O)N(C)C2(C#N)CCCCC2)C1 ZINC000472289841 561023421 /nfs/dbraw/zinc/02/34/21/561023421.db2.gz AERGOEQRXCHIES-GOSISDBHSA-N 1 0 364.534 2.104 20 30 FEEDRO C=CCOc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NS(C)(=O)=O)cc1OC ZINC000473837152 561058701 /nfs/dbraw/zinc/05/87/01/561058701.db2.gz RGXDBFSBAZHIIY-HZPDHXFCSA-N 1 0 368.499 2.210 20 30 FEEDRO N#CCCN(CCC#N)C(=O)C[N@H+](Cc1ccccc1)CC1(O)CCCC1 ZINC000474220379 561068728 /nfs/dbraw/zinc/06/87/28/561068728.db2.gz UXNLZTZCQJIWBN-UHFFFAOYSA-N 1 0 368.481 2.450 20 30 FEEDRO N#CC[C@@H](CC(=O)N1CCN(CC[NH+]2CCCC2)CC1)c1ccccc1 ZINC000474420138 561073686 /nfs/dbraw/zinc/07/36/86/561073686.db2.gz XBRZCWKKYKJCAL-FQEVSTJZSA-N 1 0 354.498 2.314 20 30 FEEDRO C=CCN(C(=O)C[NH+]1CCC(C)CC1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000474701208 561080899 /nfs/dbraw/zinc/08/08/99/561080899.db2.gz DFUXCWXKKMVMOI-KRWDZBQOSA-N 1 0 368.485 2.470 20 30 FEEDRO COc1ccccc1[C@H](CNC(=O)c1cnn(C)c1C#N)[NH+]1CCCCC1 ZINC000475025799 561088012 /nfs/dbraw/zinc/08/80/12/561088012.db2.gz YUDGIRKTPZJDBG-SFHVURJKSA-N 1 0 367.453 2.257 20 30 FEEDRO N#Cc1ccc(C(F)(F)F)c(NCCCC[NH+]2CCN(CCO)CC2)c1 ZINC000475389476 561096090 /nfs/dbraw/zinc/09/60/90/561096090.db2.gz IRLOZWZJFDFSEM-UHFFFAOYSA-N 1 0 370.419 2.379 20 30 FEEDRO CCN1CC[NH+](C[C@@H](C)CNC(=O)C[C@@H](CC#N)c2ccccc2)CC1 ZINC000476041404 561110141 /nfs/dbraw/zinc/11/01/41/561110141.db2.gz MXFXHBRXLAEYIT-AZUAARDMSA-N 1 0 356.514 2.464 20 30 FEEDRO O=C1c2ccccc2C(=O)N1CC#CCN1CCOC[C@@H]1c1ccccc1 ZINC000528395335 562326656 /nfs/dbraw/zinc/32/66/56/562326656.db2.gz NBRRWZUWNFXLBI-HXUWFJFHSA-N 1 0 360.413 2.360 20 30 FEEDRO CCn1nccc1C1CC[NH+](C[C@H](O)COc2ccccc2C#N)CC1 ZINC000528483736 562331769 /nfs/dbraw/zinc/33/17/69/562331769.db2.gz GAAGRDNSNADQOY-SFHVURJKSA-N 1 0 354.454 2.394 20 30 FEEDRO CCC(C#N)(CC)C(=O)NCc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000528512356 562333399 /nfs/dbraw/zinc/33/33/99/562333399.db2.gz KRPRVRMHILWGJN-UHFFFAOYSA-N 1 0 370.497 2.458 20 30 FEEDRO N#Cc1ccc(NC(=O)CC[N@H+]2CC3(CCOCC3)CC[C@@H]2CO)cc1 ZINC000528635526 562339249 /nfs/dbraw/zinc/33/92/49/562339249.db2.gz AGUBZHAYHXZFND-GOSISDBHSA-N 1 0 357.454 2.140 20 30 FEEDRO N#Cc1ccc(Oc2ccc(NC(=O)NC[C@@H]3COCC[NH2+]3)cc2)cc1 ZINC000528674479 562341190 /nfs/dbraw/zinc/34/11/90/562341190.db2.gz FAQORWISTDROAG-MRXNPFEDSA-N 1 0 352.394 2.460 20 30 FEEDRO COc1cc(C#N)ccc1OCC[NH+]1CCC(C)(N2CCOCC2)CC1 ZINC000528726451 562344124 /nfs/dbraw/zinc/34/41/24/562344124.db2.gz BGTSTNPCEXOIGQ-UHFFFAOYSA-N 1 0 359.470 2.132 20 30 FEEDRO CC1([NH+]2CCOCC2)CCN(Cc2nnc(-c3ccc(C#N)cc3)o2)CC1 ZINC000528730180 562344563 /nfs/dbraw/zinc/34/45/63/562344563.db2.gz WXMLLKUKONCSAV-UHFFFAOYSA-N 1 0 367.453 2.295 20 30 FEEDRO N#CCc1ccc(OC[C@H](O)CN2CCc3nc(C4CC4)ncc3C2)cc1 ZINC000528736738 562344979 /nfs/dbraw/zinc/34/49/79/562344979.db2.gz GIMBSVOQHBXBAQ-GOSISDBHSA-N 1 0 364.449 2.218 20 30 FEEDRO C[C@H](Oc1ccccc1C#N)C(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000529913303 562391245 /nfs/dbraw/zinc/39/12/45/562391245.db2.gz GTZAYDNMSREMFA-INIZCTEOSA-N 1 0 357.454 2.039 20 30 FEEDRO N#Cc1cccc(CC(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000531386794 562444360 /nfs/dbraw/zinc/44/43/60/562444360.db2.gz SVKNTGZGQDASRH-UHFFFAOYSA-N 1 0 362.477 2.035 20 30 FEEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C[NH2+]C1(CO)CCOCC1 ZINC000532963774 562493942 /nfs/dbraw/zinc/49/39/42/562493942.db2.gz NSTSQQVXVUVSNE-AWEZNQCLSA-N 1 0 363.483 2.008 20 30 FEEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[NH2+]C1(CO)CCOCC1 ZINC000532963575 562494012 /nfs/dbraw/zinc/49/40/12/562494012.db2.gz CETGLWPUKCOBBL-AWEZNQCLSA-N 1 0 363.483 2.150 20 30 FEEDRO COc1ccc2c(c1)CC[N@@H+](C[C@H](O)COc1ccc(C#N)cc1)CC2 ZINC000535549838 562561067 /nfs/dbraw/zinc/56/10/67/562561067.db2.gz MUNPHWLTPGXJLG-IBGZPJMESA-N 1 0 352.434 2.407 20 30 FEEDRO C[C@@H]([NH2+]CC(=O)NCc1cccc(C#N)c1)c1ccc([S@](C)=O)cc1 ZINC000541122201 562603710 /nfs/dbraw/zinc/60/37/10/562603710.db2.gz CQCIHHNTQSNKLT-PWECECGKSA-N 1 0 355.463 2.263 20 30 FEEDRO C[NH+](C)CCOCCNC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000541533976 562614779 /nfs/dbraw/zinc/61/47/79/562614779.db2.gz NHORSZCYMRDUES-UHFFFAOYSA-N 1 0 354.410 2.054 20 30 FEEDRO COc1cc(C#N)ccc1S(=O)(=O)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000545922195 562631259 /nfs/dbraw/zinc/63/12/59/562631259.db2.gz QMNBFLZBGVSFNX-UHFFFAOYSA-N 1 0 365.499 2.308 20 30 FEEDRO COc1cc(C#N)ccc1NC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000546002511 562632443 /nfs/dbraw/zinc/63/24/43/562632443.db2.gz IYXDGIXBQPQUNC-MSOLQXFVSA-N 1 0 372.469 2.456 20 30 FEEDRO C[NH+](C)Cc1cc(CNC(=O)C(=O)Nc2sccc2C#N)ccc1F ZINC000555939592 674382055 /nfs/dbraw/zinc/38/20/55/674382055.db2.gz VBSZRZRNXIIFJV-UHFFFAOYSA-N 1 0 360.414 2.075 20 30 FEEDRO C[C@H](CNC(=O)C(=O)Nc1scc(C(C)(C)C)c1C#N)C[NH+](C)C ZINC000556308401 674396160 /nfs/dbraw/zinc/39/61/60/674396160.db2.gz HPUMKKWTLJOVIO-LLVKDONJSA-N 1 0 350.488 2.170 20 30 FEEDRO C[NH+](C)CCn1c2cc(C(=O)NCC3CCC(C#N)CC3)ccc2[nH]c1=O ZINC000602149204 567937205 /nfs/dbraw/zinc/93/72/05/567937205.db2.gz DROJLRZZCMGZEL-UHFFFAOYSA-N 1 0 369.469 2.363 20 30 FEEDRO CC[NH+](CC)CCOc1ccc(C(=O)N2CCN(CCC#N)CC2)cc1 ZINC000602209022 567952642 /nfs/dbraw/zinc/95/26/42/567952642.db2.gz GGXYMOHPGQTHST-UHFFFAOYSA-N 1 0 358.486 2.079 20 30 FEEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000602548087 567990362 /nfs/dbraw/zinc/99/03/62/567990362.db2.gz LSRIVSTWRMQJFJ-JKSUJKDBSA-N 1 0 356.470 2.053 20 30 FEEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]CCCN1c2ccccc2OCC1=O ZINC000602561036 567991665 /nfs/dbraw/zinc/99/16/65/567991665.db2.gz PSBFCXMLGQDENK-MRXNPFEDSA-N 1 0 357.454 2.491 20 30 FEEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000602595820 567999514 /nfs/dbraw/zinc/99/95/14/567999514.db2.gz DDBRPCXCKLXLEI-FXAWDEMLSA-N 1 0 357.498 2.442 20 30 FEEDRO COc1ccc(S(=O)(=O)N2CCCN(CC3(CC#N)CC3)CC2)cc1 ZINC000602789408 568040987 /nfs/dbraw/zinc/04/09/87/568040987.db2.gz WYKCWCASKPOZCV-UHFFFAOYSA-N 1 0 363.483 2.085 20 30 FEEDRO C[C@@H]1CN(C(=O)c2cnn(-c3ccncc3)c2C(F)F)C[C@H](C)N1CC#N ZINC000603099569 568060388 /nfs/dbraw/zinc/06/03/88/568060388.db2.gz RZQBLXJTRBXMCD-BETUJISGSA-N 1 0 374.395 2.263 20 30 FEEDRO C[NH2+]C(C)(C)c1cn(CC(=O)N(CCC#N)c2cc(C)cc(C)c2)nn1 ZINC000603187573 568071712 /nfs/dbraw/zinc/07/17/12/568071712.db2.gz WQIJVIYFAKPDDD-UHFFFAOYSA-N 1 0 354.458 2.296 20 30 FEEDRO C[NH2+][C@H](C)c1cn([C@@H](C)C(=O)N(CCC#N)c2ccccc2OC)nn1 ZINC000603198413 568072870 /nfs/dbraw/zinc/07/28/70/568072870.db2.gz PVQANQKSWZVNFR-KGLIPLIRSA-N 1 0 356.430 2.075 20 30 FEEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)Cn1cc(CC[NH+](C)C)nn1 ZINC000603214093 568076539 /nfs/dbraw/zinc/07/65/39/568076539.db2.gz BCGSDCXYBBXUAF-AWEZNQCLSA-N 1 0 372.498 2.415 20 30 FEEDRO CC[NH+](CC)CCCC1CCN(S(=O)(=O)c2cncc(C#N)c2)CC1 ZINC000569038672 568277654 /nfs/dbraw/zinc/27/76/54/568277654.db2.gz UHOWHONWDAJYOR-UHFFFAOYSA-N 1 0 364.515 2.476 20 30 FEEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]CCNS(=O)(=O)Cc1ccon1 ZINC000569301573 568346345 /nfs/dbraw/zinc/34/63/45/568346345.db2.gz LOFRRADWQIWPJT-SFHVURJKSA-N 1 0 374.466 2.023 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(-n3cccn3)c(C)c2)c1C#N ZINC000569447555 568402761 /nfs/dbraw/zinc/40/27/61/568402761.db2.gz AJMQQNWKXQRHTO-UHFFFAOYSA-N 1 0 363.425 2.180 20 30 FEEDRO N#Cc1cnc2c(F)c(F)c(F)cc2c1NCC[NH+]1CCSCC1 ZINC000557566204 674454379 /nfs/dbraw/zinc/45/43/79/674454379.db2.gz DPXOSJOXURULNI-UHFFFAOYSA-N 1 0 352.385 2.406 20 30 FEEDRO C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)C(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000820414030 599391148 /nfs/dbraw/zinc/39/11/48/599391148.db2.gz WVIRQCHTIZZOOB-QWHCGFSZSA-N 1 0 361.409 2.416 20 30 FEEDRO C=CC[NH+]1CCC(Nc2c(-c3nn[nH]n3)cnc3c(C)cc(F)cc32)CC1 ZINC000819751373 599541226 /nfs/dbraw/zinc/54/12/26/599541226.db2.gz UDTYIDHFIDCZAO-UHFFFAOYSA-N 1 0 367.432 2.347 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)s1)C(C)C ZINC000819739677 606559067 /nfs/dbraw/zinc/55/90/67/606559067.db2.gz CQQILDTUNAWQOR-CYBMUJFWSA-N 1 0 360.487 2.357 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Cc1cccc(-c2nn[nH]n2)c1)C(C)C ZINC000819740221 606559319 /nfs/dbraw/zinc/55/93/19/606559319.db2.gz UUWBXDVSYVOLPZ-GOSISDBHSA-N 1 0 368.485 2.224 20 30 FEEDRO CC[N@H+](CCC(=O)N(C)CCC#N)[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000825419140 608088427 /nfs/dbraw/zinc/08/84/27/608088427.db2.gz IHBSCNWLTVOCDY-CQSZACIVSA-N 1 0 355.446 2.012 20 30 FEEDRO CC(C)C[N@H+](CCC(=O)N(C)CCC#N)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000824255431 608203631 /nfs/dbraw/zinc/20/36/31/608203631.db2.gz JKHQQIRADSVIQI-UHFFFAOYSA-N 1 0 369.473 2.087 20 30 FEEDRO CN(C)C(=[NH+]CCc1ccc(I)s1)N(C)C ZINC000303980702 673019470 /nfs/dbraw/zinc/01/94/70/673019470.db2.gz OIVXBCYZGNGYLR-UHFFFAOYSA-N 1 0 351.257 2.374 20 30 FEEDRO Cc1ncc(S(=O)(=O)NC[C@H](C(C)C)[NH+]2CCC(C)CC2)cc1C#N ZINC000813651523 674765323 /nfs/dbraw/zinc/76/53/23/674765323.db2.gz YKLFSGAXNIMDDH-GOSISDBHSA-N 1 0 364.515 2.297 20 30 FEEDRO CC(=NNC(=S)NCCC[NH+](C)C)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000814845763 674883587 /nfs/dbraw/zinc/88/35/87/674883587.db2.gz VBKOUBHNMOJSSU-AWEZNQCLSA-N 1 0 371.551 2.178 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H](C)COC ZINC001048573746 675010802 /nfs/dbraw/zinc/01/08/02/675010802.db2.gz FOFIQRFMKTVRPP-QKDSSNGWSA-N 1 0 350.503 2.362 20 30 FEEDRO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CCN1c1snc(Cl)c1C#N ZINC001048710788 675013394 /nfs/dbraw/zinc/01/33/94/675013394.db2.gz IOABFOYHSGPXPU-KGYLQXTDSA-N 1 0 367.906 2.093 20 30 FEEDRO CCCNC(=S)C(C(=O)c1ccc(OC)cc1)[n+]1cccc(CO)c1 ZINC000022806118 670044403 /nfs/dbraw/zinc/04/44/03/670044403.db2.gz NSSGGWCQOLDXPN-UHFFFAOYSA-O 1 0 359.471 2.413 20 30 FEEDRO C#CCOc1ccc(Br)cc1C[NH2+]CCC(=O)NCCC ZINC000044351551 670189697 /nfs/dbraw/zinc/18/96/97/670189697.db2.gz IUDSAEPNXCYTAW-UHFFFAOYSA-N 1 0 353.260 2.467 20 30 FEEDRO CN(CCC#N)C[C@@H](O)C[NH2+]CCc1cc(Cl)ccc1Br ZINC000565535506 675130473 /nfs/dbraw/zinc/13/04/73/675130473.db2.gz IJENAMNOXVHRRZ-AWEZNQCLSA-N 1 0 374.710 2.441 20 30 FEEDRO COc1cc(CNC(=[NH2+])N2CCN(c3ccc(Cl)cc3)CC2)ccn1 ZINC000104160288 670790471 /nfs/dbraw/zinc/79/04/71/670790471.db2.gz WXXVQFIFCNDYHI-UHFFFAOYSA-N 1 0 359.861 2.381 20 30 FEEDRO CC(C)CCC[C@@H](C)NC(=[NH2+])NC[C@@]1(N2CCOCC2)CCSC1 ZINC000104178596 670790930 /nfs/dbraw/zinc/79/09/30/670790930.db2.gz CHZGWVQXCUJVFM-AEFFLSMTSA-N 1 0 356.580 2.313 20 30 FEEDRO C=CC[C@@H](CO)C[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000572879469 671055655 /nfs/dbraw/zinc/05/56/55/671055655.db2.gz IRCNENKONDXNJS-BXUZGUMPSA-N 1 0 362.239 2.102 20 30 FEEDRO CC(C)N(CC[NH+]1CCCCCC1)S(=O)(=O)c1cncc(C#N)c1 ZINC000574123525 671204338 /nfs/dbraw/zinc/20/43/38/671204338.db2.gz RBCWCYCJRMSDMX-UHFFFAOYSA-N 1 0 350.488 2.228 20 30 FEEDRO C=CCN1CCC([NH2+]C[C@H](O)COc2ccc(Br)cc2)CC1 ZINC000574313280 671225766 /nfs/dbraw/zinc/22/57/66/671225766.db2.gz SCZMZOSNSSJPGO-INIZCTEOSA-N 1 0 369.303 2.429 20 30 FEEDRO N#Cc1ccc(SCC(=O)N2CCC[N@H+](C[C@H]3CCCO3)CC2)cc1 ZINC000609129230 675911027 /nfs/dbraw/zinc/91/10/27/675911027.db2.gz BQZGIOGBPMGJEB-QGZVFWFLSA-N 1 0 359.495 2.364 20 30 FEEDRO N#CCN1CCC(NC(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)CC1 ZINC000609339779 675919155 /nfs/dbraw/zinc/91/91/55/675919155.db2.gz REXHDNFEXWOYKD-INIZCTEOSA-N 1 0 361.515 2.172 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]CC(=O)Nc1sc2c(c1C(=O)OC)CCC2 ZINC000578485757 671668560 /nfs/dbraw/zinc/66/85/60/671668560.db2.gz NOKAOIIYLPJECF-OLZOCXBDSA-N 1 0 364.467 2.285 20 30 FEEDRO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1ccc(Br)cc1C#N ZINC000578907126 671697912 /nfs/dbraw/zinc/69/79/12/671697912.db2.gz VCJNARKRKKWVHJ-AWEZNQCLSA-N 1 0 368.275 2.143 20 30 FEEDRO C[C@@H](C[NH+]1CCC(C)CC1)NS(=O)(=O)Cc1ccc(C#N)cc1F ZINC000580659933 671823510 /nfs/dbraw/zinc/82/35/10/671823510.db2.gz LZHYVQHJKTTZDQ-AWEZNQCLSA-N 1 0 353.463 2.237 20 30 FEEDRO CC(=O)NCC[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 ZINC000580712594 671826558 /nfs/dbraw/zinc/82/65/58/671826558.db2.gz NFJFOWVYGCTADD-LBPRGKRZSA-N 1 0 362.499 2.141 20 30 FEEDRO N#Cc1nc(NC2CC[NH+](C[C@H]3CCOC3)CC2)ccc1C(F)(F)F ZINC000581587044 671914201 /nfs/dbraw/zinc/91/42/01/671914201.db2.gz UKHQCTHELHBGMD-GFCCVEGCSA-N 1 0 354.376 2.885 20 30 FEEDRO CCc1nnc(NC(=O)[C@@H](C)[C@@H](C)[NH2+]Cc2nc(C#N)cs2)s1 ZINC000581636891 671920303 /nfs/dbraw/zinc/92/03/03/671920303.db2.gz VPPBVKIWJRKNQN-DTWKUNHWSA-N 1 0 350.473 2.182 20 30 FEEDRO CC[NH+](CC)CC#C[C@@H](C)OC(=O)[C@H]1CSCN1C(=O)C(C)(C)C ZINC000121392922 671948638 /nfs/dbraw/zinc/94/86/38/671948638.db2.gz WUSFGAXIDJPFAO-HUUCEWRRSA-N 1 0 354.516 2.211 20 30 FEEDRO CC[C@H]([NH2+]C[C@H]1CCCCN1S(=O)(=O)N(C)C)c1ccc(C#N)cc1 ZINC000583170235 672069808 /nfs/dbraw/zinc/06/98/08/672069808.db2.gz QFXGQEJZLWYBQD-MSOLQXFVSA-N 1 0 364.515 2.260 20 30 FEEDRO C[NH+](C)[C@@]1(CNC(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)CCSC1 ZINC000610497290 675975894 /nfs/dbraw/zinc/97/58/94/675975894.db2.gz YSXCAEGCPFVSJW-PKOBYXMFSA-N 1 0 358.511 2.081 20 30 FEEDRO C[NH+]=C(NCc1cccc2c1OCO2)N1CCN(c2cccs2)CC1 ZINC000158901541 672274522 /nfs/dbraw/zinc/27/45/22/672274522.db2.gz MXOXMMZSMUHRMY-UHFFFAOYSA-N 1 0 358.467 2.374 20 30 FEEDRO [NH2+]=C(NCCNC(=O)c1ccco1)Nc1ccccc1OC(F)(F)F ZINC000160640670 672292600 /nfs/dbraw/zinc/29/26/00/672292600.db2.gz ZGBYLAWLGWFLDS-UHFFFAOYSA-N 1 0 356.304 2.335 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N(C)[C@H](C)CNC(=O)OC(C)(C)C)CC1 ZINC000171907830 672337527 /nfs/dbraw/zinc/33/75/27/672337527.db2.gz OHJAALHPAGHURJ-CQSZACIVSA-N 1 0 354.495 2.191 20 30 FEEDRO C#CCSCCNC(=O)N1CCN([C@H](C)c2cccc(OC)c2)CC1 ZINC000172516433 672342440 /nfs/dbraw/zinc/34/24/40/672342440.db2.gz PWDAHABFVCCXJX-MRXNPFEDSA-N 1 0 361.511 2.450 20 30 FEEDRO CC(C)(C)OC(=O)N1CCN2C(NCCSC(F)(F)F)=[NH+]C[C@H]2C1 ZINC000177002023 672378873 /nfs/dbraw/zinc/37/88/73/672378873.db2.gz ABJWWRAICBSARH-JTQLQIEISA-N 1 0 368.425 2.120 20 30 FEEDRO C[NH+]1CCN(CCCNC(=O)c2c(Cl)cc(C#N)cc2Cl)CC1 ZINC000611092790 676016850 /nfs/dbraw/zinc/01/68/50/676016850.db2.gz MKRRAIAVAWWIJQ-UHFFFAOYSA-N 1 0 355.269 2.232 20 30 FEEDRO C[NH+](C)CCOc1cnccc1CNC(=O)c1ccc(C#N)c(Cl)c1 ZINC000589056337 672501803 /nfs/dbraw/zinc/50/18/03/672501803.db2.gz GSKFZOVHBIEUEL-UHFFFAOYSA-N 1 0 358.829 2.477 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(F)cc1)S(=O)(=O)CC1(C#N)CCC1 ZINC000589218894 672514013 /nfs/dbraw/zinc/51/40/13/672514013.db2.gz AGGLWMLVUBWKCL-UHFFFAOYSA-N 1 0 353.463 2.213 20 30 FEEDRO C[C@H](CC[NH+](C)C)NC(=O)C(=O)Nc1scc(C(C)(C)C)c1C#N ZINC000590219231 672565374 /nfs/dbraw/zinc/56/53/74/672565374.db2.gz VRDNQGSFFOGNMY-LLVKDONJSA-N 1 0 350.488 2.312 20 30 FEEDRO CC(C)[C@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1C#N)C(=O)N1CCCC1 ZINC000611395168 676035615 /nfs/dbraw/zinc/03/56/15/676035615.db2.gz DUBTVBFNFRKACH-KRWDZBQOSA-N 1 0 362.861 2.387 20 30 FEEDRO CC(C)(CNC(=O)C#Cc1ccc(C(F)(F)F)cc1)N1CCOCC1 ZINC000190596238 672644319 /nfs/dbraw/zinc/64/43/19/672644319.db2.gz RJWMSCWAABQQIZ-UHFFFAOYSA-N 1 0 354.372 2.284 20 30 FEEDRO Cc1nnc([C@@H]2CC[N@H+](CCC(=O)Nc3ccc(C#N)c(Cl)c3)C2)[nH]1 ZINC000591053835 672645040 /nfs/dbraw/zinc/64/50/40/672645040.db2.gz WMACEKFHQNTDDM-CYBMUJFWSA-N 1 0 358.833 2.456 20 30 FEEDRO C[C@@H](CO)C[NH+]1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 ZINC000611530642 676042742 /nfs/dbraw/zinc/04/27/42/676042742.db2.gz DNNZILOWXDJQPZ-CZUORRHYSA-N 1 0 352.276 2.260 20 30 FEEDRO C[C@H](NC(=O)C#Cc1ccc(C(F)(F)F)cc1)[C@H](C)N1CCOCC1 ZINC000191293661 672663019 /nfs/dbraw/zinc/66/30/19/672663019.db2.gz RCFKPJMMNUOCEO-KBPBESRZSA-N 1 0 354.372 2.282 20 30 FEEDRO C[C@H]([NH3+])CNC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N ZINC000591305032 672667594 /nfs/dbraw/zinc/66/75/94/672667594.db2.gz YYHHGRILHKSUOA-VIFPVBQESA-N 1 0 374.388 2.113 20 30 FEEDRO N#CCCC[C@@H]([NH3+])C(=O)N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1 ZINC000592145160 672763503 /nfs/dbraw/zinc/76/35/03/672763503.db2.gz PSCGYAROWDPKMH-DZGCQCFKSA-N 1 0 354.376 2.421 20 30 FEEDRO CCCCCCCS(=O)(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000195233749 672779756 /nfs/dbraw/zinc/77/97/56/672779756.db2.gz RRRMPUOKCLPCBB-SFHVURJKSA-N 1 0 359.580 2.389 20 30 FEEDRO C=C(Br)CNC(=O)N[C@@H]1CC[N@@H+](CCCOCC)C[C@@H]1C ZINC000247128546 672846906 /nfs/dbraw/zinc/84/69/06/672846906.db2.gz GYMMZULVWUOCPZ-GXTWGEPZSA-N 1 0 362.312 2.331 20 30 FEEDRO C[C@H]1CN(C(=[NH2+])N[C@H]2COc3cc(F)c(Br)cc32)CCO1 ZINC000261687981 672901237 /nfs/dbraw/zinc/90/12/37/672901237.db2.gz KNNMXGBLYGFEIU-UFBFGSQYSA-N 1 0 358.211 2.057 20 30 FEEDRO C[NH+]=C(NCc1cccn1C)N(C)Cc1cc(Br)cn1C ZINC000261810909 672903576 /nfs/dbraw/zinc/90/35/76/672903576.db2.gz SMHJRWOKMSIAQO-UHFFFAOYSA-N 1 0 352.280 2.334 20 30 FEEDRO C[NH+]=C(NCCNc1ncc(Cl)cc1Cl)N1CC[C@]2(CCOC2)C1 ZINC000262010585 672907495 /nfs/dbraw/zinc/90/74/95/672907495.db2.gz WMAFTJVZISJXJK-INIZCTEOSA-N 1 0 372.300 2.488 20 30 FEEDRO [NH2+]=C(NCc1ccc(Cl)cc1Cl)N1CCN(c2ncccn2)CC1 ZINC000262200822 672911114 /nfs/dbraw/zinc/91/11/14/672911114.db2.gz DBXSEKWQCWGMEW-UHFFFAOYSA-N 1 0 365.268 2.420 20 30 FEEDRO CCC[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000262362149 672914318 /nfs/dbraw/zinc/91/43/18/672914318.db2.gz GZHPKXUGIDFGAX-MWDXBVQZSA-N 1 0 355.548 2.335 20 30 FEEDRO CC(C)[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N[C@H](C)c1ccc(F)cc1F ZINC000262424498 672915457 /nfs/dbraw/zinc/91/54/57/672915457.db2.gz RJMSJMLIUOVUBM-OLZOCXBDSA-N 1 0 373.469 2.404 20 30 FEEDRO C[NH+]=C(NCc1nc(C(C)(C)C)cs1)NC1CCN(C(C)=O)CC1 ZINC000262503457 672916924 /nfs/dbraw/zinc/91/69/24/672916924.db2.gz DXYOWROWFYLTPV-UHFFFAOYSA-N 1 0 351.520 2.117 20 30 FEEDRO N#Cc1sccc1S(=O)(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000593529990 672934892 /nfs/dbraw/zinc/93/48/92/672934892.db2.gz FIUKZTHIFHBNJT-UHFFFAOYSA-N 1 0 361.492 2.346 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)NCCC2CC[NH2+]CC2)cc1C(F)(F)F ZINC000593732428 672984828 /nfs/dbraw/zinc/98/48/28/672984828.db2.gz MBDVPEOIPGEUQC-UHFFFAOYSA-N 1 0 361.389 2.245 20 30 FEEDRO CCNC(NCCC(=O)N(C)Cc1ccccc1Br)=[NH+]CC ZINC000304062877 673019543 /nfs/dbraw/zinc/01/95/43/673019543.db2.gz QYQBEMXSVXRKET-UHFFFAOYSA-N 1 0 369.307 2.373 20 30 FEEDRO CC(C)N(C)S(=O)(=O)c1ccc(CNC(=[NH2+])N2CCCCCC2)cc1 ZINC000305035617 673021482 /nfs/dbraw/zinc/02/14/82/673021482.db2.gz BHLCTMNCNUPXGY-UHFFFAOYSA-N 1 0 366.531 2.406 20 30 FEEDRO C[C@H](NC(=O)C1CCCC1)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000328822231 673067100 /nfs/dbraw/zinc/06/71/00/673067100.db2.gz RLBLMFYKTCXKOH-HNNXBMFYSA-N 1 0 351.491 2.092 20 30 FEEDRO CC(C)C[C@H](NC(=O)[C@H]([NH3+])CCCCC#N)C(=O)Nc1nccs1 ZINC000594447160 673073385 /nfs/dbraw/zinc/07/33/85/673073385.db2.gz UKSPXSDZZHEAIT-OLZOCXBDSA-N 1 0 351.476 2.024 20 30 FEEDRO CC[C@@H]1CN(C(=O)NC[C@@H]2CCC[N@H+](CC(C)C)C2)C[C@H](C)S1(=O)=O ZINC000329804625 673083506 /nfs/dbraw/zinc/08/35/06/673083506.db2.gz KGFVYFCITYSLMA-YESZJQIVSA-N 1 0 373.563 2.166 20 30 FEEDRO CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@H]1CCCSC1 ZINC000330205328 673087312 /nfs/dbraw/zinc/08/73/12/673087312.db2.gz DJDXQOYINDQPJP-PKOBYXMFSA-N 1 0 363.527 2.365 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2CCC3(CC[NH2+]3)CC2)cc1C(F)(F)F ZINC000333278637 673098512 /nfs/dbraw/zinc/09/85/12/673098512.db2.gz LZRJCPYAMOFGHN-UHFFFAOYSA-N 1 0 359.373 2.094 20 30 FEEDRO C=CCOC[C@@H]1NC(=O)N(C[C@@H](c2ccc(Cl)cc2)[NH+](C)C)C1=O ZINC000348614250 673116557 /nfs/dbraw/zinc/11/65/57/673116557.db2.gz FDLHPHSAPIVHGK-GJZGRUSLSA-N 1 0 351.834 2.066 20 30 FEEDRO C[C@@H](CNC(=S)Nc1ccc(C#N)c(Cl)c1)C[NH+]1CCN(C)CC1 ZINC000726481331 673126064 /nfs/dbraw/zinc/12/60/64/673126064.db2.gz RTHFZDOHOVBNSV-ZDUSSCGKSA-N 1 0 365.934 2.382 20 30 FEEDRO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)C1 ZINC000595072106 673190795 /nfs/dbraw/zinc/19/07/95/673190795.db2.gz FLWIQAOUAIGLLD-GFCCVEGCSA-N 1 0 362.861 2.387 20 30 FEEDRO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccc(C#N)cc2Cl)C1 ZINC000595074691 673190919 /nfs/dbraw/zinc/19/09/19/673190919.db2.gz UBWHZRXGEMAYPN-CYBMUJFWSA-N 1 0 362.861 2.387 20 30 FEEDRO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000595107469 673194048 /nfs/dbraw/zinc/19/40/48/673194048.db2.gz FGTUUHRRBRSEEA-ZFWWWQNUSA-N 1 0 361.492 2.454 20 30 FEEDRO CCN(C(=O)C(=O)Nc1scc(C(C)(C)C)c1C#N)[C@@H]1CC[N@H+](C)C1 ZINC000595110170 673194628 /nfs/dbraw/zinc/19/46/28/673194628.db2.gz ICJDSXAQQMCJRJ-GFCCVEGCSA-N 1 0 362.499 2.408 20 30 FEEDRO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000595112600 673195112 /nfs/dbraw/zinc/19/51/12/673195112.db2.gz VQTKJWCTUDUHTC-HIFRSBDPSA-N 1 0 361.492 2.454 20 30 FEEDRO CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCC2(CCC([NH+](C)C)CC2)CC1 ZINC000595346116 673228926 /nfs/dbraw/zinc/22/89/26/673228926.db2.gz DNYITJQHGIGEKP-INIZCTEOSA-N 1 0 370.563 2.299 20 30 FEEDRO N#Cc1cc(F)ccc1CS(=O)(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000595409276 673245346 /nfs/dbraw/zinc/24/53/46/673245346.db2.gz CZXHQDOSHFYABB-OAHLLOKOSA-N 1 0 365.474 2.239 20 30 FEEDRO C#CC[N@H+]1CCC[C@H]1COC(=O)C1CCN(C(=O)OCC(C)C)CC1 ZINC000729812031 673249163 /nfs/dbraw/zinc/24/91/63/673249163.db2.gz JTBRPWIRLQQDII-KRWDZBQOSA-N 1 0 350.459 2.132 20 30 FEEDRO CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+]CC(=O)Nc2sc(C)c(C)c2C#N)C1 ZINC000595631324 673276267 /nfs/dbraw/zinc/27/62/67/673276267.db2.gz HENBHGLJLRXXMF-LZWOXQAQSA-N 1 0 365.499 2.331 20 30 FEEDRO C[C@@H]1CCCC[C@@]1(CNC(=O)OC(C)(C)C)[NH2+]CC(=O)NCCC#N ZINC000731847912 673344745 /nfs/dbraw/zinc/34/47/45/673344745.db2.gz ZXBJKBLKXCBFHO-KDOFPFPSSA-N 1 0 352.479 2.079 20 30 FEEDRO C[NH+](C)CCCNC(=S)NN=Cc1ccc(F)c(Br)c1 ZINC000731930626 673348685 /nfs/dbraw/zinc/34/86/85/673348685.db2.gz FVYBFNGINGMYIM-UHFFFAOYSA-N 1 0 361.284 2.338 20 30 FEEDRO CCc1nc(C#N)cc(Sc2nnc([C@@H]3CCC[NH2+]C3)n2C2CC2)n1 ZINC000596130902 673361879 /nfs/dbraw/zinc/36/18/79/673361879.db2.gz GVUVNXFRAPCFJV-LLVKDONJSA-N 1 0 355.471 2.455 20 30 FEEDRO CN1CCC(CNc2nc(C#N)c(Cl)s2)([NH+]2CCCCC2)CC1 ZINC000596138405 673362383 /nfs/dbraw/zinc/36/23/83/673362383.db2.gz JRNJJDROUWSLQA-UHFFFAOYSA-N 1 0 353.923 3.030 20 30 FEEDRO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)Cc1ccc(Br)cc1C#N ZINC000597698176 673500355 /nfs/dbraw/zinc/50/03/55/673500355.db2.gz GPQHJFMTUWKFJN-XHDPSFHLSA-N 1 0 350.260 2.414 20 30 FEEDRO Cc1nnc(CC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)s1 ZINC000597820010 673510040 /nfs/dbraw/zinc/51/00/40/673510040.db2.gz LMVKDLQICYSEFT-UHFFFAOYSA-N 1 0 355.467 2.042 20 30 FEEDRO COC(=O)c1cnc([C@H]2CCC[N@H+](C[C@@H](O)CC(C)(C)C#N)C2)s1 ZINC000598628216 673592696 /nfs/dbraw/zinc/59/26/96/673592696.db2.gz LSGVRCGRSAIOTP-STQMWFEESA-N 1 0 351.472 2.410 20 30 FEEDRO COc1cc(CC[NH2+]C[C@H](O)CC(C)(C)C#N)c([N+](=O)[O-])cc1OC ZINC000598701013 673599873 /nfs/dbraw/zinc/59/98/73/673599873.db2.gz SNYOZXFHTKFMBZ-CYBMUJFWSA-N 1 0 351.403 2.045 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)[C@H](NC(=O)c2cccs2)C(C)C)CC1 ZINC000740735509 673651922 /nfs/dbraw/zinc/65/19/22/673651922.db2.gz IQFWUFBGWSDZTB-QGZVFWFLSA-N 1 0 361.511 2.106 20 30 FEEDRO C[C@H]([NH2+]C[C@@H](O)CC1(C#N)CCOCC1)c1ccc([S@](C)=O)cc1 ZINC000599352590 673662717 /nfs/dbraw/zinc/66/27/17/673662717.db2.gz CYSGPCVSGJJASZ-ZYXJOJAPSA-N 1 0 350.484 2.146 20 30 FEEDRO C[C@H]([NH2+]C[C@@H](O)CC1(C#N)CCOCC1)c1ccc([S@@](C)=O)cc1 ZINC000599352574 673662759 /nfs/dbraw/zinc/66/27/59/673662759.db2.gz CYSGPCVSGJJASZ-FMTLSIPGSA-N 1 0 350.484 2.146 20 30 FEEDRO CC(C)OC(=O)C[C@H]1CCC[N@H+](C[C@@H](O)CC2(C#N)CCOCC2)C1 ZINC000599360867 673663781 /nfs/dbraw/zinc/66/37/81/673663781.db2.gz RIWQLXSDZWPLOU-SJORKVTESA-N 1 0 352.475 2.111 20 30 FEEDRO CO[C@@]1(C(F)(F)F)CCC[N@H+](C[C@@H](O)COc2ccccc2C#N)C1 ZINC000599380547 673667073 /nfs/dbraw/zinc/66/70/73/673667073.db2.gz VFFSPUZLYYRBOA-ZBFHGGJFSA-N 1 0 358.360 2.341 20 30 FEEDRO COC1(C(F)(F)F)CC[NH+](C[C@@H](O)CC2(C#N)CCOCC2)CC1 ZINC000599439287 673675621 /nfs/dbraw/zinc/67/56/21/673675621.db2.gz NAYQQLKQCMHRRX-ZDUSSCGKSA-N 1 0 350.381 2.101 20 30 FEEDRO N#Cc1ccc(CNC(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1F ZINC000599919501 673727943 /nfs/dbraw/zinc/72/79/43/673727943.db2.gz HMWAYPQFNYEQHQ-STQMWFEESA-N 1 0 358.339 2.366 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)CN(C)c2nc3ccccc3s2)CC1 ZINC000743492098 673761813 /nfs/dbraw/zinc/76/18/13/673761813.db2.gz PLCKTDUCABZGIE-UHFFFAOYSA-N 1 0 356.495 2.336 20 30 FEEDRO N#Cc1ccccc1OC[C@H](O)C[NH2+][C@@H]1CCOC2(CCSCC2)C1 ZINC000600726607 673794580 /nfs/dbraw/zinc/79/45/80/673794580.db2.gz IDTKAFXCONZMCH-IAGOWNOFSA-N 1 0 362.495 2.332 20 30 FEEDRO N#CC1(C[C@@H](O)C[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])CCOCC1 ZINC000600731298 673795004 /nfs/dbraw/zinc/79/50/04/673795004.db2.gz LDQXTDUTSZDCKD-OAHLLOKOSA-N 1 0 367.833 2.452 20 30 FEEDRO C[C@@]1(C[NH2+]C[C@@H](O)CC2(C#N)CCOCC2)OCCc2sccc21 ZINC000600739238 673795498 /nfs/dbraw/zinc/79/54/98/673795498.db2.gz AHXGKWKHDMRYAP-YOEHRIQHSA-N 1 0 350.484 2.197 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)S(=O)(=O)CCC(C)(F)F ZINC000601308728 673841053 /nfs/dbraw/zinc/84/10/53/673841053.db2.gz XOVYACQPYKOSCQ-UHFFFAOYSA-N 1 0 359.442 2.297 20 30 FEEDRO N#Cc1c(Br)cccc1S(=O)(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000601345174 673845737 /nfs/dbraw/zinc/84/57/37/673845737.db2.gz NUYBEJBUJQZAGA-LLVKDONJSA-N 1 0 372.288 2.213 20 30 FEEDRO CC(C)(C[NH+]1CCOCC1)C(=O)NCCSCc1ccccc1C#N ZINC000602047070 673901588 /nfs/dbraw/zinc/90/15/88/673901588.db2.gz XCTMALRETAHWCF-UHFFFAOYSA-N 1 0 361.511 2.266 20 30 FEEDRO C[C@]12C[NH+](Cc3ccc(C#N)cc3C(F)(F)F)C[C@]1(C)C(=O)NC2=O ZINC000602725297 673910327 /nfs/dbraw/zinc/91/03/27/673910327.db2.gz PBOYTZPWGSMJTK-HZPDHXFCSA-N 1 0 351.328 2.062 20 30 FEEDRO COC[C@](C)(CO)[NH2+]CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000602931713 673913886 /nfs/dbraw/zinc/91/38/86/673913886.db2.gz JRPYYVWHUVODFF-XIKOKIGWSA-N 1 0 365.499 2.060 20 30 FEEDRO CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)C[N@H+](C)[C@@H]2CCSC2)C1 ZINC000603151527 673918263 /nfs/dbraw/zinc/91/82/63/673918263.db2.gz ANFISKNOODMFRX-ZWKOTPCHSA-N 1 0 358.511 2.033 20 30 FEEDRO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)n1cc([C@@H]2CCC[NH2+]C2)nn1 ZINC000603188927 673918482 /nfs/dbraw/zinc/91/84/82/673918482.db2.gz OAKBTHBETPEAQQ-WCQYABFASA-N 1 0 358.833 2.470 20 30 FEEDRO C[NH+](C)[C@H](CNc1ccc(C#N)cc1CS(N)(=O)=O)c1cccs1 ZINC000603276570 673921428 /nfs/dbraw/zinc/92/14/28/673921428.db2.gz PSYFLSBYDMHHOG-OAHLLOKOSA-N 1 0 364.496 2.123 20 30 FEEDRO C[NH+](C)[C@@H]1CCC[C@H]1NS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000615297188 676211043 /nfs/dbraw/zinc/21/10/43/676211043.db2.gz VJRJUHVKEKBMPK-ZIAGYGMSSA-N 1 0 361.389 2.338 20 30 FEEDRO N#Cc1ccc(OC[C@H](O)C[NH2+][C@@H]2CC[C@H]3SCCS[C@@H]23)cc1 ZINC000819197582 675268933 /nfs/dbraw/zinc/26/89/33/675268933.db2.gz KVQSSVHCLQDRNA-DZUCGIPZSA-N 1 0 350.509 2.267 20 30 FEEDRO C#CCNC(=O)CC[NH2+][C@H](C)[C@@H](OC)c1ccc(Br)cc1 ZINC000819209155 675270057 /nfs/dbraw/zinc/27/00/57/675270057.db2.gz UTTAPFDBJSOMCE-MLGOLLRUSA-N 1 0 353.260 2.254 20 30 FEEDRO CC[N@@H+]1CCN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)C[C@@H]1C ZINC000819429625 675289788 /nfs/dbraw/zinc/28/97/88/675289788.db2.gz XGLWBVKOESOBSQ-LSDHHAIUSA-N 1 0 352.479 2.126 20 30 FEEDRO C#C[C@H](NC(=O)N(C)CCCN1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000820565069 675370779 /nfs/dbraw/zinc/37/07/79/675370779.db2.gz JOYPUIYGRFHKDV-SFHVURJKSA-N 1 0 362.905 2.293 20 30 FEEDRO CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)C[C@@H]2CC[N@H+](C)C2)C1=O ZINC000822582939 675493049 /nfs/dbraw/zinc/49/30/49/675493049.db2.gz IRAXALLOSSSCNA-KBXCAEBGSA-N 1 0 352.479 2.030 20 30 FEEDRO O=C(C#Cc1cccs1)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000826684198 675700102 /nfs/dbraw/zinc/70/01/02/675700102.db2.gz KLVZQIISVACWEH-UHFFFAOYSA-N 1 0 354.475 2.373 20 30 FEEDRO C#CCN(CC(=O)NC1CC[NH+](CCCC)CC1)C(=O)OC(C)(C)C ZINC000827011677 675723609 /nfs/dbraw/zinc/72/36/09/675723609.db2.gz LLGXHOVAMMULDH-UHFFFAOYSA-N 1 0 351.491 2.237 20 30 FEEDRO N#Cc1ccc(NC[C@@H]2CC[N@@H+]2C2CCCCC2)c(CS(N)(=O)=O)c1 ZINC000603413233 675798379 /nfs/dbraw/zinc/79/83/79/675798379.db2.gz NXNUYDLBJBSKNT-KRWDZBQOSA-N 1 0 362.499 2.166 20 30 FEEDRO N#Cc1ccc(NCC(=O)NCC2([NH+]3CCSCC3)CCCC2)cc1 ZINC000604446483 675804915 /nfs/dbraw/zinc/80/49/15/675804915.db2.gz XOELFVJDENDTSV-UHFFFAOYSA-N 1 0 358.511 2.448 20 30 FEEDRO C#CC[C@@H]1CCC[N@@H+](CC(=O)NCC(=O)Nc2cccc(Cl)c2C)C1 ZINC000829794403 675891574 /nfs/dbraw/zinc/89/15/74/675891574.db2.gz XHRLOQNINBPZSO-OAHLLOKOSA-N 1 0 361.873 2.438 20 30 FEEDRO C=CCOc1c(Cl)cc(C[NH2+][C@H]2CCc3nnnn3CC2)cc1OC ZINC000623553248 676540540 /nfs/dbraw/zinc/54/05/40/676540540.db2.gz MQKMENFYWXUZMM-ZDUSSCGKSA-N 1 0 363.849 2.395 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H](n2cccn2)C(F)(F)F)CC1 ZINC000623579231 676541830 /nfs/dbraw/zinc/54/18/30/676541830.db2.gz RZIZFOUCVYXVKH-CQSZACIVSA-N 1 0 359.396 2.326 20 30 FEEDRO C=CC[C@@]1(C(=O)NCc2cc(Br)cnc2OC)CCC[NH2+]1 ZINC000638559024 677146908 /nfs/dbraw/zinc/14/69/08/677146908.db2.gz BHGBFGXQIWJTIS-HNNXBMFYSA-N 1 0 354.248 2.167 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)n1cc(C[C@H]2CC[NH2+]C2)nn1 ZINC000640930577 677192000 /nfs/dbraw/zinc/19/20/00/677192000.db2.gz UGKRGFIIMKBCPY-LSDHHAIUSA-N 1 0 359.499 2.267 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N[C@H](CC)C(=O)NCc2cccs2)CC1 ZINC000645232473 677255938 /nfs/dbraw/zinc/25/59/38/677255938.db2.gz AUTVMHRMHOMIHK-MRXNPFEDSA-N 1 0 364.515 2.093 20 30 FEEDRO C=CCN1CC[C@H]([NH2+][C@H](CCO)c2cccc(OC(F)(F)F)c2)C1=O ZINC000646017541 677277084 /nfs/dbraw/zinc/27/70/84/677277084.db2.gz YMLHHGCKRVDNNP-CABCVRRESA-N 1 0 358.360 2.385 20 30 FEEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H](C)C(=O)Nc2cccc(S(=O)(=O)NC)c2)C1 ZINC000651700369 677445504 /nfs/dbraw/zinc/44/55/04/677445504.db2.gz BMCDRNMRLFRZLQ-FMKPAKJESA-N 1 0 365.499 2.256 20 30 FEEDRO N#Cc1ccc(C(=O)CNC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)cc1 ZINC000655064858 677620376 /nfs/dbraw/zinc/62/03/76/677620376.db2.gz HDMFGDNOLUDINU-QGZVFWFLSA-N 1 0 357.479 2.075 20 30 FEEDRO C=CCCNC(=O)C(=O)Nc1cc(Cl)ccc1N1CC[NH+](CC)CC1 ZINC000658386355 678081703 /nfs/dbraw/zinc/08/17/03/678081703.db2.gz KMDJNJYDVRTORJ-UHFFFAOYSA-N 1 0 364.877 2.113 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)c2nc(C)sc2Br)CC1 ZINC000839693833 680772341 /nfs/dbraw/zinc/77/23/41/680772341.db2.gz RHVDJRQPJOQHTG-UHFFFAOYSA-N 1 0 356.289 2.432 20 30 FEEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1ccc(C)c(S(N)(=O)=O)c1 ZINC000661117896 678437334 /nfs/dbraw/zinc/43/73/34/678437334.db2.gz UZYZASITLMGDSI-HOCLYGCPSA-N 1 0 365.499 2.305 20 30 FEEDRO C[C@H]1CN(C(=S)Nc2ccccc2C#N)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000763297468 680778982 /nfs/dbraw/zinc/77/89/82/680778982.db2.gz AZMCOPKFSNJAHX-MAUKXSAKSA-N 1 0 357.527 2.213 20 30 FEEDRO C=CCC1([NH2+]CC(=O)N(CC(C)C)[C@@H]2CCS(=O)(=O)C2)CCCC1 ZINC000661848149 678541670 /nfs/dbraw/zinc/54/16/70/678541670.db2.gz BLKDLJXJUHXACU-MRXNPFEDSA-N 1 0 356.532 2.137 20 30 FEEDRO C=CC[C@@]1(C(=O)NCc2cc(Cl)ccc2N2CCOCC2)CCC[NH2+]1 ZINC000662796123 678661688 /nfs/dbraw/zinc/66/16/88/678661688.db2.gz INZNIYYGVWOBOO-IBGZPJMESA-N 1 0 363.889 2.491 20 30 FEEDRO C[C@@H](C(=O)N(C)CCC#N)[N@H+](C)CC(C)(C)CNC(=O)OC(C)(C)C ZINC000747842497 679906689 /nfs/dbraw/zinc/90/66/89/679906689.db2.gz GCPWXEPMTRJRFV-AWEZNQCLSA-N 1 0 354.495 2.230 20 30 FEEDRO CC(=NNC(=S)NCCC[NH+](C)C)c1ccc(N2CCCC2)cc1O ZINC000748252797 679945899 /nfs/dbraw/zinc/94/58/99/679945899.db2.gz XQDNGOLLLWXJFS-UHFFFAOYSA-N 1 0 363.531 2.132 20 30 FEEDRO C#CCC[NH+]1CCC(NS(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000748672694 679986430 /nfs/dbraw/zinc/98/64/30/679986430.db2.gz ZISHWVCGHXGNKC-UHFFFAOYSA-N 1 0 371.300 2.215 20 30 FEEDRO C#CCC[NH+]1CCC(NS(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000748671920 679986655 /nfs/dbraw/zinc/98/66/55/679986655.db2.gz MQIUBVDIYCEKDK-UHFFFAOYSA-N 1 0 360.401 2.471 20 30 FEEDRO N#Cc1c(F)cccc1S(=O)(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000751454513 680177643 /nfs/dbraw/zinc/17/76/43/680177643.db2.gz GVDIDJKVGAOPFW-CQSZACIVSA-N 1 0 351.447 2.194 20 30 FEEDRO C=C(Cl)CN1CCCN(C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)CC1 ZINC000981185216 680219181 /nfs/dbraw/zinc/21/91/81/680219181.db2.gz TUJWBSXWLFFPHD-MSOLQXFVSA-N 1 0 369.937 2.020 20 30 FEEDRO C=CCN(CC=C)C(=O)C[N@H+]1C[C@H](CNC(=O)OC(C)(C)C)C[C@H]1C ZINC000752084835 680222575 /nfs/dbraw/zinc/22/25/75/680222575.db2.gz XUVBLHOHWRBEBY-CVEARBPZSA-N 1 0 351.491 2.422 20 30 FEEDRO C[C@H](Sc1ccc(Br)cc1)C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000834488345 680233822 /nfs/dbraw/zinc/23/38/22/680233822.db2.gz BSEUODPHZKHTDT-OPQQBVKSSA-N 1 0 354.273 2.157 20 30 FEEDRO CC(C)(C)NC(=O)Nc1ccc(Cl)c(C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)c1 ZINC000834488719 680234120 /nfs/dbraw/zinc/23/41/20/680234120.db2.gz GCHQFCBTMQEQFA-IINYFYTJSA-N 1 0 363.849 2.101 20 30 FEEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)CCCCc1ccc(Br)cc1 ZINC000834490176 680234189 /nfs/dbraw/zinc/23/41/89/680234189.db2.gz SGNRPTYHHMDRJY-UKRRQHHQSA-N 1 0 350.260 2.390 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]C[C@@H](O)C2CCCCC2)C1 ZINC001022842846 680242003 /nfs/dbraw/zinc/24/20/03/680242003.db2.gz HSHGCLGQANEWIJ-APAFKAMOSA-N 1 0 350.503 2.146 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[N@@H+](CC2CC(OCC)C2)CC1 ZINC000982173450 680272550 /nfs/dbraw/zinc/27/25/50/680272550.db2.gz NBVGUWUKVCBMCC-BTRQGYIVSA-N 1 0 350.503 2.317 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCC[N@@H+]1CCC1CCOCC1 ZINC001024661483 680299042 /nfs/dbraw/zinc/29/90/42/680299042.db2.gz GIKDMZNJJLIEIY-QRVBRYPASA-N 1 0 350.503 2.365 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+][C@@H](C)c2nnc(C)s2)C1 ZINC000983698846 680322089 /nfs/dbraw/zinc/32/20/89/680322089.db2.gz RQGQEERCCSOIES-WGIXJMRHSA-N 1 0 364.515 2.373 20 30 FEEDRO C=C(Br)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC1(C)C ZINC000996343609 680329273 /nfs/dbraw/zinc/32/92/73/680329273.db2.gz XFIBBZPWQPQBIW-YIYPIFLZSA-N 1 0 357.292 2.289 20 30 FEEDRO CC(C)[N@H+]1CC(N=Nc2ncnc3c2c(Br)nn3C)[C@H](C)C1 ZINC000754256652 680345632 /nfs/dbraw/zinc/34/56/32/680345632.db2.gz CVTZTEKVQXZUOA-SECBINFHSA-N 1 0 366.267 2.254 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC([NH2+]Cc2csnc2OC)CC1 ZINC000997084291 680346904 /nfs/dbraw/zinc/34/69/04/680346904.db2.gz KNNUUBLHUZAHJJ-HOTGVXAUSA-N 1 0 365.499 2.214 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](Cc2cc(F)cc(F)c2)C1 ZINC001028808792 680383023 /nfs/dbraw/zinc/38/30/23/680383023.db2.gz FJOWIFLAIFJGCP-XWIAVFTESA-N 1 0 350.409 2.494 20 30 FEEDRO C=C(Cl)C[NH2+]C1CC(N(C)C(=O)[C@@H]2CCCO[C@H]2c2cnn(C)c2)C1 ZINC000998927221 680391621 /nfs/dbraw/zinc/39/16/21/680391621.db2.gz DBFDYCIZZRTHAA-BACDZXNISA-N 1 0 366.893 2.219 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H](C[N@@H+](C)CC2CCOCC2)C1 ZINC001029865219 680394849 /nfs/dbraw/zinc/39/48/49/680394849.db2.gz ZPQZPAZQSQQPPK-FHWLQOOXSA-N 1 0 350.503 2.175 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CCC2CCOCC2)C1 ZINC000999182321 680396957 /nfs/dbraw/zinc/39/69/57/680396957.db2.gz OTBGMSRHMUWOGB-QRVBRYPASA-N 1 0 350.503 2.365 20 30 FEEDRO CC1([NH+]2CCCCC2)CCN(C(=O)C(=O)Nc2sccc2C#N)CC1 ZINC000874281342 685341947 /nfs/dbraw/zinc/34/19/47/685341947.db2.gz ZVWGSUDZNAYZFW-UHFFFAOYSA-N 1 0 360.483 2.425 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2cnc(Cl)s2)C1 ZINC000999427306 680403202 /nfs/dbraw/zinc/40/32/02/680403202.db2.gz HVJWXTSVEXJHFX-QUINOFQRSA-N 1 0 355.891 2.467 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC2(CC[N@@H+](CCOC)C2)CC1 ZINC001035237086 680444714 /nfs/dbraw/zinc/44/47/14/680444714.db2.gz PPANVEZUDZEKLX-ROUUACIJSA-N 1 0 350.503 2.319 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([N@H+](C)C[C@@H]2CCCCO2)CC1 ZINC000985436189 680447643 /nfs/dbraw/zinc/44/76/43/680447643.db2.gz XZXDYXPXFZKPJB-OTWHNJEPSA-N 1 0 350.503 2.460 20 30 FEEDRO CC[C@@H](C(=O)N1C[C@@H](C)[C@H](Nc2nc(C#N)c(Cl)s2)C1)[NH+](C)C ZINC001043261606 680569875 /nfs/dbraw/zinc/56/98/75/680569875.db2.gz KPYZWXOJAVFZGV-JLLWLGSASA-N 1 0 355.895 2.267 20 30 FEEDRO Cc1nsc(N[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C[C@H]2C)c1C#N ZINC001043465044 680583403 /nfs/dbraw/zinc/58/34/03/680583403.db2.gz JPLVRSKUGKPVBE-TWJWRFFLSA-N 1 0 361.515 2.312 20 30 FEEDRO C#CCNC(=S)C(C(=O)c1ccc(F)c(F)c1)[n+]1cccc(CO)c1 ZINC000759054434 680624023 /nfs/dbraw/zinc/62/40/23/680624023.db2.gz LJFDAXJNPMOHSD-UHFFFAOYSA-O 1 0 361.393 2.179 20 30 FEEDRO C=CC[NH+]1CCC2(CO[C@H](CNC(=O)[C@H]3OCC[C@H]3C(C)C)C2)CC1 ZINC001045670809 680637339 /nfs/dbraw/zinc/63/73/39/680637339.db2.gz ZRJPLEJJHLZUDT-BZSNNMDCSA-N 1 0 350.503 2.221 20 30 FEEDRO C=C(Br)CNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC000837913210 680659922 /nfs/dbraw/zinc/65/99/22/680659922.db2.gz DKXFHMFKEYHFDB-PBWFPOADSA-N 1 0 360.296 2.178 20 30 FEEDRO CCOC(=O)c1cc(C(C)(C)C)sc1NC(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000841160612 680866770 /nfs/dbraw/zinc/86/67/70/680866770.db2.gz JDVIBHHAPIIRCD-CMPLNLGQSA-N 1 0 364.471 2.455 20 30 FEEDRO Cc1nc2cc(Br)cc(NC(=O)N[C@H]3C[NH2+]C[C@@H]3C#N)c2o1 ZINC000841195385 680868556 /nfs/dbraw/zinc/86/85/56/680868556.db2.gz XHSBBOADDFXBII-UFBFGSQYSA-N 1 0 364.203 2.132 20 30 FEEDRO CCc1c(NC(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)cnn1-c1ccc(Cl)cc1 ZINC000841214181 680869320 /nfs/dbraw/zinc/86/93/20/680869320.db2.gz FFCQAMBJLKBHEI-SMDDNHRTSA-N 1 0 358.833 2.321 20 30 FEEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)Nc1cc(F)c(Br)cc1Cl ZINC000841230636 680870178 /nfs/dbraw/zinc/87/01/78/680870178.db2.gz WDGKIZIKUFZGGU-KSBSHMNSSA-N 1 0 361.602 2.475 20 30 FEEDRO C#C[C@H](NC(=O)NC[C@]1(COC)CCC[NH2+]1)c1ccc(Cl)cc1F ZINC000841998965 680920718 /nfs/dbraw/zinc/92/07/18/680920718.db2.gz XFEUIODDZHXHQO-RDJZCZTQSA-N 1 0 353.825 2.221 20 30 FEEDRO C#C[C@H](NC(=O)NC[C@@]1(COC)CCC[NH2+]1)c1ccc(Cl)cc1F ZINC000841998963 680920747 /nfs/dbraw/zinc/92/07/47/680920747.db2.gz XFEUIODDZHXHQO-DOTOQJQBSA-N 1 0 353.825 2.221 20 30 FEEDRO C[C@H](C[C@@H](O)c1cccs1)[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000843108123 680988040 /nfs/dbraw/zinc/98/80/40/680988040.db2.gz RROUSJWMVNHXHK-CZUORRHYSA-N 1 0 364.492 2.495 20 30 FEEDRO CSCCNC(=S)NN=CC1(C[NH+]2CCOCC2)CCCCC1 ZINC000769601390 680988709 /nfs/dbraw/zinc/98/87/09/680988709.db2.gz FNAKSAKWINZZPF-UHFFFAOYSA-N 1 0 358.577 2.082 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2snnc2C)CC1 ZINC001052786312 681086522 /nfs/dbraw/zinc/08/65/22/681086522.db2.gz UADLSYSIDZCTKS-VYDXJSESSA-N 1 0 364.515 2.298 20 30 FEEDRO Cc1nsc(N2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C3)c1C#N ZINC001055198778 681126137 /nfs/dbraw/zinc/12/61/37/681126137.db2.gz AIPAFZGFKJRPSI-YOENINGUSA-N 1 0 359.499 2.033 20 30 FEEDRO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](Nc3snc(Cl)c3C#N)C2)CC[N@@H+]1C ZINC001056802808 681156774 /nfs/dbraw/zinc/15/67/74/681156774.db2.gz DSMMWZHQXJXBNE-NTZNESFSSA-N 1 0 367.906 2.411 20 30 FEEDRO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](Nc3snc(C)c3C#N)C2)CC[N@@H+]1C ZINC001057770098 681164106 /nfs/dbraw/zinc/16/41/06/681164106.db2.gz SRFBELKGJPWCFR-IJEWVQPXSA-N 1 0 361.515 2.456 20 30 FEEDRO C[C@@H]1[C@H](C(=O)N2CCC[C@H](Nc3ncc(C#N)cc3Cl)C2)CC[N@@H+]1C ZINC001057770539 681164150 /nfs/dbraw/zinc/16/41/50/681164150.db2.gz DIBLSJPWTANQSB-VHDGCEQUSA-N 1 0 361.877 2.350 20 30 FEEDRO C[NH+]1CCC(C#N)(NC(=O)CC(C)(C)CNC(=O)OC(C)(C)C)CC1 ZINC000932178615 681188793 /nfs/dbraw/zinc/18/87/93/681188793.db2.gz OICQZNHSJSBMQB-UHFFFAOYSA-N 1 0 352.479 2.032 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H]2C[N@H+]([C@@H](C)COC)C[C@H]2CC1 ZINC000946818380 681261778 /nfs/dbraw/zinc/26/17/78/681261778.db2.gz JCJLVPKYQYWBEG-OYSTVDSJSA-N 1 0 350.503 2.173 20 30 FEEDRO CC(C)Oc1cc(C(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)ccc1Br ZINC000846678388 681275020 /nfs/dbraw/zinc/27/50/20/681275020.db2.gz SLGMHGWALUFWRK-AAEUAGOBSA-N 1 0 352.232 2.078 20 30 FEEDRO C#CCOCC[NH+]1CCC2(CO[C@H](CNC(=O)OC(C)(C)C)C2)CC1 ZINC000932673554 681283965 /nfs/dbraw/zinc/28/39/65/681283965.db2.gz NGHMASIDURGLST-INIZCTEOSA-N 1 0 352.475 2.032 20 30 FEEDRO COC[C@H](O)C[NH+]1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932941935 681331787 /nfs/dbraw/zinc/33/17/87/681331787.db2.gz DVXWJWJSRBZIKB-BWZBUEFSSA-N 1 0 357.241 2.097 20 30 FEEDRO O=C1CC[C@@H](C[NH+]2C[C@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)N1 ZINC000932945265 681333203 /nfs/dbraw/zinc/33/32/03/681333203.db2.gz UKYGQGNAYFJYAO-FXQIFTODSA-N 1 0 366.252 2.368 20 30 FEEDRO N#CCOc1ccc(CNC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)cc1 ZINC000847431037 681378419 /nfs/dbraw/zinc/37/84/19/681378419.db2.gz QTBGAIFGAZMHAI-QGZVFWFLSA-N 1 0 359.495 2.423 20 30 FEEDRO C#CCC1([NH2+]CC(=O)N(C)CC(=O)Nc2ccccc2SC)CCC1 ZINC000933304016 681391101 /nfs/dbraw/zinc/39/11/01/681391101.db2.gz WVYCTCSCELIDEQ-UHFFFAOYSA-N 1 0 359.495 2.341 20 30 FEEDRO C=CCCC[N@H+]1CCC[C@H](N2CCN(C(=O)OC(C)(C)C)CC2=O)C1 ZINC000776833945 681439657 /nfs/dbraw/zinc/43/96/57/681439657.db2.gz AGDSUTGDQZECMC-INIZCTEOSA-N 1 0 351.491 2.496 20 30 FEEDRO CC#CCS(=O)(=O)c1cccc(C(=O)N2CC[C@@H]([NH+](CC)CC)C2)c1 ZINC000933794047 681467929 /nfs/dbraw/zinc/46/79/29/681467929.db2.gz JVAPCGJVPZAWOW-QGZVFWFLSA-N 1 0 362.495 2.040 20 30 FEEDRO C#CC[N@H+]1CCC[C@@H]1COC(=O)[C@H]1CCC[C@H]1NC(=O)OC(C)(C)C ZINC000777309477 681480685 /nfs/dbraw/zinc/48/06/85/681480685.db2.gz AHUSUBYMBFBYCA-OWCLPIDISA-N 1 0 350.459 2.321 20 30 FEEDRO C#CCOc1cccc(Cl)c1C=NNC(=S)NCCC[NH+](C)C ZINC000777437042 681493617 /nfs/dbraw/zinc/49/36/17/681493617.db2.gz MLYIWVGQAARUJM-UHFFFAOYSA-N 1 0 352.891 2.102 20 30 FEEDRO CO[C@@H]1CCOC[C@H]1[NH2+]CC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000934038687 681499405 /nfs/dbraw/zinc/49/94/05/681499405.db2.gz YVEWIBKFTQEXKJ-FVQBIDKESA-N 1 0 363.483 2.413 20 30 FEEDRO CO[C@@H]1CC[C@@H]1[N@H+](C)CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000934117185 681511144 /nfs/dbraw/zinc/51/11/44/681511144.db2.gz JXKMVNNNGSCCDC-JKSUJKDBSA-N 1 0 354.372 2.282 20 30 FEEDRO C=CCN(CC=C)C(=O)[C@@H](C)[NH2+][C@@H](C)C1CCN(C(=O)OCC)CC1 ZINC000777639198 681516031 /nfs/dbraw/zinc/51/60/31/681516031.db2.gz CCFYJXYEVUKUTP-JKSUJKDBSA-N 1 0 351.491 2.422 20 30 FEEDRO C=CC1(CC(=O)N(CCC[NH+](C)C)[C@@H]2CCS(=O)(=O)C2)CCCCC1 ZINC000934308295 681549368 /nfs/dbraw/zinc/54/93/68/681549368.db2.gz VQJSLZZRHCUAIK-QGZVFWFLSA-N 1 0 370.559 2.480 20 30 FEEDRO C=C(Cl)C(C)(C)C(=O)N1CCC(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000948984563 681608613 /nfs/dbraw/zinc/60/86/13/681608613.db2.gz HRTUCCFTEBEJHQ-CZUORRHYSA-N 1 0 369.937 2.460 20 30 FEEDRO CN(C)[S@@](C)(=O)=NCC1CC[NH+](CCCC2(C#N)CCOCC2)CC1 ZINC000934752063 681621929 /nfs/dbraw/zinc/62/19/29/681621929.db2.gz NDRJCUNYEIJMOU-VWLOTQADSA-N 1 0 370.563 2.373 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CCOC2(CC[NH+](C/C=C\Cl)CC2)C1 ZINC000949194316 681623234 /nfs/dbraw/zinc/62/32/34/681623234.db2.gz PLYBGWDXVCLEHG-WGTGFREXSA-N 1 0 354.878 2.023 20 30 FEEDRO CN(C)C(NCc1ccc(CS(C)(=O)=O)cc1)=[NH+]Cc1ccccc1 ZINC000849072365 681649755 /nfs/dbraw/zinc/64/97/55/681649755.db2.gz JBVZOGHNKQVKER-UHFFFAOYSA-N 1 0 359.495 2.439 20 30 FEEDRO CCCC[NH+]=C(NCc1ccc(C)cc1)NCC1(S(C)(=O)=O)CC1 ZINC000849093329 681651885 /nfs/dbraw/zinc/65/18/85/681651885.db2.gz MLZOYNADPHUREQ-UHFFFAOYSA-N 1 0 351.516 2.408 20 30 FEEDRO CN(C)C(=[NH+]C[C@H](CO)Cc1cc(Br)ccc1F)N(C)C ZINC000849115267 681657638 /nfs/dbraw/zinc/65/76/38/681657638.db2.gz MCMOVNGTZXESRK-LLVKDONJSA-N 1 0 360.271 2.218 20 30 FEEDRO C[NH+]1CCC(C#N)(NC(=O)CCCCCNC(=O)OC(C)(C)C)CC1 ZINC000780621422 681853191 /nfs/dbraw/zinc/85/31/91/681853191.db2.gz FXLUFLMIGPUUJF-UHFFFAOYSA-N 1 0 352.479 2.176 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)c2cn(-c3cccc(Cl)c3)nn2)CC1 ZINC000780777809 681870269 /nfs/dbraw/zinc/87/02/69/681870269.db2.gz XVWUHBYVIBREGC-UHFFFAOYSA-N 1 0 357.845 2.138 20 30 FEEDRO C[C@H]1CCC[N@@H+]1CCNS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000780865733 681879511 /nfs/dbraw/zinc/87/95/11/681879511.db2.gz CDSHEWFMIZITRF-NSHDSACASA-N 1 0 361.389 2.340 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC2(CC1)CC[NH+](C[C@@H](C)O)CC2 ZINC000957552149 681907345 /nfs/dbraw/zinc/90/73/45/681907345.db2.gz HBPYBSYPEWBFQR-KURKYZTESA-N 1 0 350.503 2.053 20 30 FEEDRO C[C@@H]([NH2+]CCNS(=O)(=O)Cc1ccccc1)c1ccc(C#N)cc1F ZINC000781420172 681933517 /nfs/dbraw/zinc/93/35/17/681933517.db2.gz IMISZJWHQUGZJH-CQSZACIVSA-N 1 0 361.442 2.468 20 30 FEEDRO N#Cc1cc(CS(=O)(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)cs1 ZINC000914135250 685495772 /nfs/dbraw/zinc/49/57/72/685495772.db2.gz BLGDQSMLHFCIJD-OAHLLOKOSA-N 1 0 353.513 2.400 20 30 FEEDRO COc1cc(Br)ccc1C=NNC(=S)NCCC[NH+](C)C ZINC000781594267 681951306 /nfs/dbraw/zinc/95/13/06/681951306.db2.gz FSMQPWUIGYURDT-UHFFFAOYSA-N 1 0 373.320 2.207 20 30 FEEDRO COc1cc(NC(=O)N[C@H]2C[NH2+]C[C@H]2C#N)c(Cl)cc1Br ZINC000850766610 681958366 /nfs/dbraw/zinc/95/83/66/681958366.db2.gz OPGDYIKJCNAFJX-HQJQHLMTSA-N 1 0 373.638 2.344 20 30 FEEDRO CC(C)C[N@@H+]1CCC[C@H](CNS(=O)(=O)Cc2csc(C#N)c2)C1 ZINC000914272402 685501904 /nfs/dbraw/zinc/50/19/04/685501904.db2.gz AUJIVWUTXKPVOB-CQSZACIVSA-N 1 0 355.529 2.407 20 30 FEEDRO C=C(Br)CNC(=O)N1CC2(CCCC2)OC[C@H]1C[NH+](C)C ZINC000914418776 685507420 /nfs/dbraw/zinc/50/74/20/685507420.db2.gz WXNQVWIDCVEPTC-CYBMUJFWSA-N 1 0 360.296 2.180 20 30 FEEDRO C=CCS(=O)(=O)CC[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000782966927 682098869 /nfs/dbraw/zinc/09/88/69/682098869.db2.gz KAZHYXPQBGKUJA-UHFFFAOYSA-N 1 0 367.471 2.276 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)NC1CC(C[NH2+]Cc2cc(OC)ns2)C1 ZINC000961854395 682103209 /nfs/dbraw/zinc/10/32/09/682103209.db2.gz WJAAZCIOBONPKD-GMEATFMZSA-N 1 0 365.499 2.117 20 30 FEEDRO COC(=O)[C@@H]1C[C@H](C(F)(F)F)C[N@H+](C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000852339048 682263437 /nfs/dbraw/zinc/26/34/37/682263437.db2.gz DKEASFBHBUJBDG-ILXRZTDVSA-N 1 0 356.344 2.265 20 30 FEEDRO C#C[C@@H](NC(=O)N(C)CC1C[NH+](C)C1)c1ccc(Br)cc1 ZINC000852360715 682266650 /nfs/dbraw/zinc/26/66/50/682266650.db2.gz KWDBMQQXUQRUGW-OAHLLOKOSA-N 1 0 350.260 2.326 20 30 FEEDRO C=C(Br)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2cccnc2)C1 ZINC000970038185 682284542 /nfs/dbraw/zinc/28/45/42/682284542.db2.gz KJXYHOIXODORAB-QLFBSQMISA-N 1 0 350.260 2.284 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H](C)C1C[NH+](CC2CCOCC2)C1 ZINC000970559994 682307203 /nfs/dbraw/zinc/30/72/03/682307203.db2.gz IGZBMKYAOQUHDV-SNRMKQJTSA-N 1 0 350.503 2.221 20 30 FEEDRO O=C(C#CC1CC[NH2+]CC1)N1CCc2c(F)cc(Br)cc2C1 ZINC000852853552 682350325 /nfs/dbraw/zinc/35/03/25/682350325.db2.gz IWVYZFFZSGOMDD-UHFFFAOYSA-N 1 0 365.246 2.476 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C)CC1 ZINC000786181600 682357312 /nfs/dbraw/zinc/35/73/12/682357312.db2.gz IBEIHIUIJAHPRD-GDBMZVCRSA-N 1 0 351.491 2.399 20 30 FEEDRO C#CCNC(=O)C[N@@H+](Cc1cccc(Br)c1)C1CCOCC1 ZINC000786440722 682374673 /nfs/dbraw/zinc/37/46/73/682374673.db2.gz GRPPHGVPWFNIAN-UHFFFAOYSA-N 1 0 365.271 2.180 20 30 FEEDRO CC(C)NS(=O)(=O)c1ccc(N=NC2CCC[C@H]([NH+](C)C)C2)nc1 ZINC000788424031 682529186 /nfs/dbraw/zinc/52/91/86/682529186.db2.gz BBPGWCRUJVFDLN-AWEZNQCLSA-N 1 0 353.492 2.040 20 30 FEEDRO C#CCOc1ccc(Br)cc1C[NH2+]C[C@H](O)[C@H]1CCCO1 ZINC000858226488 682946974 /nfs/dbraw/zinc/94/69/74/682946974.db2.gz OEDGDMLGOPHUNQ-GOEBONIOSA-N 1 0 354.244 2.091 20 30 FEEDRO C#CC[C@H](COC)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000858335404 682958566 /nfs/dbraw/zinc/95/85/66/682958566.db2.gz TURMJWDGIHLALQ-GFCCVEGCSA-N 1 0 374.178 2.327 20 30 FEEDRO C#CC[C@@H](CCOC)NC(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000859024507 683028356 /nfs/dbraw/zinc/02/83/56/683028356.db2.gz GHLTZKWFQOTJLU-INIZCTEOSA-N 1 0 353.532 2.076 20 30 FEEDRO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)c1cc(C#N)ccc1Cl)C2 ZINC000926150077 683082969 /nfs/dbraw/zinc/08/29/69/683082969.db2.gz FMTJDLULNQDWSZ-VXNCWWDNSA-N 1 0 361.873 2.421 20 30 FEEDRO CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)c1ccc(C#N)c(Cl)c1)C2 ZINC000926159103 683085039 /nfs/dbraw/zinc/08/50/39/683085039.db2.gz HURNQFMGODJKAJ-MTNOOBJLSA-N 1 0 361.873 2.421 20 30 FEEDRO C#CCOc1ccc([C@H](C)[NH2+]C[C@H]2CCCCN2S(C)(=O)=O)cc1 ZINC000797121460 683224166 /nfs/dbraw/zinc/22/41/66/683224166.db2.gz ZNXVCMKBDRAFFG-DOTOQJQBSA-N 1 0 350.484 2.163 20 30 FEEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1C[C@@H]([NH3+])C(C)(C)C1 ZINC000927854282 683326557 /nfs/dbraw/zinc/32/65/57/683326557.db2.gz LTQMXSVXWKJRBB-IUODEOHRSA-N 1 0 360.483 2.215 20 30 FEEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CC[C@H](CC[NH3+])C1 ZINC000927886279 683333448 /nfs/dbraw/zinc/33/34/48/683333448.db2.gz MUYOKQIWUOXNKK-KBPBESRZSA-N 1 0 360.483 2.217 20 30 FEEDRO C#CCN(CC#N)CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000799199749 683435923 /nfs/dbraw/zinc/43/59/23/683435923.db2.gz GESYNTIZMWTBPM-GOSISDBHSA-N 1 0 358.873 2.052 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000928654144 683482044 /nfs/dbraw/zinc/48/20/44/683482044.db2.gz OXIJSSJDCGYEJK-UHFFFAOYSA-N 1 0 353.325 2.024 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)c2cnc(Cl)c(Br)c2)CC1 ZINC000928653621 683482052 /nfs/dbraw/zinc/48/20/52/683482052.db2.gz SUAXVZUFJQBZLA-UHFFFAOYSA-N 1 0 356.651 2.325 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)c2nc(C(F)(F)F)n3ccccc23)CC1 ZINC000928660673 683483335 /nfs/dbraw/zinc/48/33/35/683483335.db2.gz NJHZUEAONJCXSX-UHFFFAOYSA-N 1 0 350.344 2.181 20 30 FEEDRO N#Cc1ccc(Br)c(C[NH2+][C@H]2CCCN(CCCO)C2)c1 ZINC000922153966 683671031 /nfs/dbraw/zinc/67/10/31/683671031.db2.gz GPEDERDHGQHYLB-HNNXBMFYSA-N 1 0 352.276 2.257 20 30 FEEDRO C[N@H+](Cc1ccccc1)CC(C)(C)C=NN[C@H]1CCCS(=O)(=O)C1 ZINC000863130630 683679273 /nfs/dbraw/zinc/67/92/73/683679273.db2.gz QHRBMYDXRBQEGF-KRWDZBQOSA-N 1 0 351.516 2.297 20 30 FEEDRO C[C@H](C[C@H](O)c1ccc(F)cc1)[NH2+]C[C@H](O)CC1(C#N)CCOCC1 ZINC000863563244 683742861 /nfs/dbraw/zinc/74/28/61/683742861.db2.gz PEKFARMQPWQYLS-OLMNPRSZSA-N 1 0 350.434 2.299 20 30 FEEDRO N#Cc1ccc(Br)c(C[NH2+][C@@H]2C[C@H](O)C23CCOCC3)c1 ZINC000923019333 683820741 /nfs/dbraw/zinc/82/07/41/683820741.db2.gz MHWFNLVWQQDAPH-CABCVRRESA-N 1 0 351.244 2.340 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)[C@]2(NC(=O)OC(C)(C)C)CC2(F)F)CC1 ZINC000865193706 683949035 /nfs/dbraw/zinc/94/90/35/683949035.db2.gz NTMQVBDGQQQZAO-MRXNPFEDSA-N 1 0 359.417 2.056 20 30 FEEDRO C=C(Cl)C[C@@H]1NC(=O)N(CC2([NH+]3CCSCC3)CCCC2)C1=O ZINC000865299807 683963900 /nfs/dbraw/zinc/96/39/00/683963900.db2.gz QRNWOWUHWOJBSA-ZDUSSCGKSA-N 1 0 357.907 2.411 20 30 FEEDRO CN(C)c1ccc(C#N)cc1C[NH2+]Cc1cccc(NS(C)(=O)=O)c1 ZINC000865406353 683979506 /nfs/dbraw/zinc/97/95/06/683979506.db2.gz QTJNTILJCOZDOS-UHFFFAOYSA-N 1 0 358.467 2.286 20 30 FEEDRO C=CCOc1c(Br)cc(C[NH2+]C[C@@H](O)[C@H](C)O)cc1OCC ZINC000865741818 684021683 /nfs/dbraw/zinc/02/16/83/684021683.db2.gz SUDIRVBANHSZPU-SMDDNHRTSA-N 1 0 374.275 2.244 20 30 FEEDRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C2(C#N)CCSCC2)CC1 ZINC000931301660 684257883 /nfs/dbraw/zinc/25/78/83/684257883.db2.gz XVECLBVYGVURHQ-IAGOWNOFSA-N 1 0 364.559 2.040 20 30 FEEDRO Cc1ncc(S(=O)(=O)N2CCC([C@H]3CCC[NH2+]CC3)CC2)cc1C#N ZINC000923702393 684335409 /nfs/dbraw/zinc/33/54/09/684335409.db2.gz NKXBCTUIJNYEKE-HNNXBMFYSA-N 1 0 362.499 2.052 20 30 FEEDRO Cc1cc(S(=O)(=O)N[C@H]2C[C@@](C[NH3+])(c3ccccc3)C2)ccc1C#N ZINC000923739337 684343625 /nfs/dbraw/zinc/34/36/25/684343625.db2.gz GFMSPVWEJPJVDC-IZAXUBKRSA-N 1 0 355.463 2.204 20 30 FEEDRO C[NH+]1CCC(OCC(=O)OCc2cc(C#N)ccc2Br)CC1 ZINC000923787736 684349608 /nfs/dbraw/zinc/34/96/08/684349608.db2.gz BQUQWXWTISKJSN-UHFFFAOYSA-N 1 0 367.243 2.475 20 30 FEEDRO C#CCN1CCC[C@H](NC(=O)Nc2cc3sc(=O)n(C)c3cc2C)C1 ZINC000931906632 684367889 /nfs/dbraw/zinc/36/78/89/684367889.db2.gz XCABSUXRQZVZMR-ZDUSSCGKSA-N 1 0 358.467 2.128 20 30 FEEDRO C[NH+](C)C1(C)CCC(NS(=O)(=O)Cc2ccc(F)cc2C#N)CC1 ZINC000867742307 684369875 /nfs/dbraw/zinc/36/98/75/684369875.db2.gz HQOTYCLMRAVZIH-UHFFFAOYSA-N 1 0 353.463 2.380 20 30 FEEDRO Cc1ccc(S(=O)(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)c(C#N)c1 ZINC000871805654 684858348 /nfs/dbraw/zinc/85/83/48/684858348.db2.gz NILRRRDWUIROEY-DOTOQJQBSA-N 1 0 359.426 2.121 20 30 FEEDRO N#Cc1ccccc1OC[C@H](O)C[NH2+]Cc1ccc(Br)cn1 ZINC000872234732 684930205 /nfs/dbraw/zinc/93/02/05/684930205.db2.gz XYPDHPKJSSSPFK-OAHLLOKOSA-N 1 0 362.227 2.245 20 30 FEEDRO CN1Cc2ccccc2[C@@H]1C[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000872235527 684930319 /nfs/dbraw/zinc/93/03/19/684930319.db2.gz ILDNXDUQEHLKSG-IBGZPJMESA-N 1 0 355.463 2.108 20 30 FEEDRO C=C(C)C[N@@H+]1CC[C@H](N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1 ZINC000872299703 684935714 /nfs/dbraw/zinc/93/57/14/684935714.db2.gz PVTIRGMEAWBPNH-ZNMIVQPWSA-N 1 0 351.447 2.077 20 30 FEEDRO C[N@@H+]1CCC[C@H]2[C@H]1CCN2S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000872661964 684999644 /nfs/dbraw/zinc/99/96/44/684999644.db2.gz BAKAUZLFEMLOQH-KGLIPLIRSA-N 1 0 373.400 2.434 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cc(Cl)cc(Cl)c1F ZINC000873895992 685241672 /nfs/dbraw/zinc/24/16/72/685241672.db2.gz KHYLZLKENQURSX-UHFFFAOYSA-N 1 0 360.216 2.142 20 30 FEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC[C@@H]1C(=O)Nc1ccc(OC)cc1 ZINC000876606258 686226989 /nfs/dbraw/zinc/22/69/89/686226989.db2.gz ZJVUAEUOPHWVSN-HUUCEWRRSA-N 1 0 351.834 2.095 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[C@@H]1C(=O)Nc1ccc(OC)cc1 ZINC000876606259 686227088 /nfs/dbraw/zinc/22/70/88/686227088.db2.gz ZJVUAEUOPHWVSN-LSDHHAIUSA-N 1 0 351.834 2.095 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N1CCN(Cc2nc3ccccc3s2)CC1 ZINC000876709717 686249783 /nfs/dbraw/zinc/24/97/83/686249783.db2.gz YQXAUMLYVIBSOF-ZDUSSCGKSA-N 1 0 364.902 2.410 20 30 FEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H](c1ccccc1Cl)N1CCOCC1 ZINC000876722390 686253391 /nfs/dbraw/zinc/25/33/91/686253391.db2.gz TXNLMANXXUXOPR-CVEARBPZSA-N 1 0 372.296 2.299 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H](CC)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000876781418 686267507 /nfs/dbraw/zinc/26/75/07/686267507.db2.gz LAAWVJDSRCWVSK-OKZBNKHCSA-N 1 0 365.905 2.252 20 30 FEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H]1CN(c2ccc(Cl)cc2)CCO1 ZINC000877013121 686309622 /nfs/dbraw/zinc/30/96/22/686309622.db2.gz KHLXZZIOXDICIB-HUUCEWRRSA-N 1 0 358.269 2.131 20 30 FEEDRO Cn1ccnc1[C@](O)(CC[NH2+]Cc1cc(C#N)cnc1Cl)C(F)(F)F ZINC000877146943 686333069 /nfs/dbraw/zinc/33/30/69/686333069.db2.gz XNYPDSLEUKGRKE-CQSZACIVSA-N 1 0 373.766 2.270 20 30 FEEDRO COc1ccc(C[C@@H](CO)C[NH2+]Cc2cc(C#N)cnc2Cl)cc1O ZINC000877527475 686402149 /nfs/dbraw/zinc/40/21/49/686402149.db2.gz OCEXRMGMJAHXKM-CQSZACIVSA-N 1 0 361.829 2.262 20 30 FEEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]CC(C)(C)[C@@H]1COCC12OCCO2 ZINC000877584941 686416131 /nfs/dbraw/zinc/41/61/31/686416131.db2.gz LWVZNSKPJCVVKQ-CVEARBPZSA-N 1 0 352.475 2.091 20 30 FEEDRO C[C@@H]1C[NH+](C[C@@H](O)c2ccc(Br)cc2)C[C@@H](C)N1CC#N ZINC000878771353 686655152 /nfs/dbraw/zinc/65/51/52/686655152.db2.gz JNMDPKOAVPWZMV-XJKCOSOUSA-N 1 0 352.276 2.401 20 30 FEEDRO C[C@H]1CN(CC(=O)NCc2ccc(C#N)cc2)CC[C@H](C(F)(F)F)O1 ZINC000880061385 686991095 /nfs/dbraw/zinc/99/10/95/686991095.db2.gz UHCFXJIVLZKOBS-SWLSCSKDSA-N 1 0 355.360 2.216 20 30 FEEDRO C[NH+](C)CCN1CCC(Nc2ncc(C#N)cc2Br)CC1 ZINC000881801869 687220262 /nfs/dbraw/zinc/22/02/62/687220262.db2.gz DVAOMCCCNOYYMV-UHFFFAOYSA-N 1 0 352.280 2.154 20 30 FEEDRO C=CCCc1ccc(S(=O)(=O)N[C@@H](C)CCN2CC[NH+](C)CC2)cc1 ZINC000882081133 687300135 /nfs/dbraw/zinc/30/01/35/687300135.db2.gz VJVNLGGCVUAPCX-KRWDZBQOSA-N 1 0 365.543 2.110 20 30 FEEDRO CCC1([NH+]2CCCCC2)CCN(S(=O)(=O)N(C)[C@@H](C)CC#N)CC1 ZINC000882618309 687410464 /nfs/dbraw/zinc/41/04/64/687410464.db2.gz OJJZWQFZEPAXCV-INIZCTEOSA-N 1 0 356.536 2.196 20 30 FEEDRO C[C@@H]1CN(S(=O)(=O)c2cccc(CC#N)c2)CCN1c1cc[nH+]cc1 ZINC000882620500 687411610 /nfs/dbraw/zinc/41/16/10/687411610.db2.gz LIZZLGNPLOSPBQ-OAHLLOKOSA-N 1 0 356.451 2.047 20 30 FEEDRO CC1([NH+]2CCC2)CCN(S(=O)(=O)c2ccc(C#N)cc2Cl)CC1 ZINC000882768869 687480649 /nfs/dbraw/zinc/48/06/49/687480649.db2.gz WZAVXXNPAGPPCY-UHFFFAOYSA-N 1 0 353.875 2.461 20 30 FEEDRO C[N@@H+]1CC[C@@]2(CCN(C(=O)Nc3ccc(Br)c(C#N)n3)C2)C1 ZINC000883111317 687567687 /nfs/dbraw/zinc/56/76/87/687567687.db2.gz ZPBXTLIATWQJSS-OAHLLOKOSA-N 1 0 364.247 2.275 20 30 FEEDRO C=CCC[C@@H]([NH2+]CC1CCN(S(=O)(=O)C(F)F)CC1)[C@H]1CCCO1 ZINC000883202669 687586753 /nfs/dbraw/zinc/58/67/53/687586753.db2.gz HTSNIHZVCUOCFU-HUUCEWRRSA-N 1 0 366.474 2.354 20 30 FEEDRO C=CCC[C@@H]([NH2+]Cc1ccc(S(=O)(=O)CCO)cc1)[C@H]1CCCO1 ZINC000883219018 687589774 /nfs/dbraw/zinc/58/97/74/687589774.db2.gz LDPTXVQUYBBNJX-QZTJIDSGSA-N 1 0 353.484 2.056 20 30 FEEDRO N#Cc1ccc(NCC(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)nc1 ZINC000498075361 687745293 /nfs/dbraw/zinc/74/52/93/687745293.db2.gz XRDFZYQEKVNFAN-OAHLLOKOSA-N 1 0 355.467 2.380 20 30 FEEDRO CC1(C)Cc2nc(NC(=O)C3CC4(C3)C[NH2+]C[C@H]4C#N)sc2C(=O)C1 ZINC000884048366 687778461 /nfs/dbraw/zinc/77/84/61/687778461.db2.gz INHRQYFXUAOILQ-ARAINJGVSA-N 1 0 358.467 2.376 20 30 FEEDRO N#C[C@H]1C[NH2+]CC12CC(C(=O)NCc1sccc1Br)C2 ZINC000884112625 687792473 /nfs/dbraw/zinc/79/24/73/687792473.db2.gz ROBLIADUWBLVKS-XIRUVYRFSA-N 1 0 354.273 2.266 20 30 FEEDRO N#C[C@@H]1C[NH2+]CC12CC(C(=O)NC[C@H](O)c1cc(Cl)cc(Cl)c1)C2 ZINC000884144987 687799465 /nfs/dbraw/zinc/79/94/65/687799465.db2.gz ZLNRWUNMDKORPZ-GDTXNAFHSA-N 1 0 368.264 2.282 20 30 FEEDRO N#C[C@@H]1C[NH2+]CC12CC(C(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1)C2 ZINC000884145182 687799911 /nfs/dbraw/zinc/79/99/11/687799911.db2.gz DUMKBSPNKJDJDI-SQLBVSGCSA-N 1 0 369.309 2.469 20 30 FEEDRO CN(Cc1ccc(Br)o1)C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884379537 687858830 /nfs/dbraw/zinc/85/88/30/687858830.db2.gz AYRLKMQLNPOGBF-VTWZXRTESA-N 1 0 352.232 2.140 20 30 FEEDRO N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000884951995 687972797 /nfs/dbraw/zinc/97/27/97/687972797.db2.gz KFDIFKUZMBDWAH-KGLIPLIRSA-N 1 0 373.400 2.482 20 30 FEEDRO C#CC[N@@H+](C[C@@H](O)COC(C)C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000886426230 688253480 /nfs/dbraw/zinc/25/34/80/688253480.db2.gz OAJLUNVKTXTPGI-QGZVFWFLSA-N 1 0 354.491 2.107 20 30 FEEDRO C#CCN(C(=O)Cc1csc(-c2cccnc2)n1)C1CC[NH+](C)CC1 ZINC000886587159 688280179 /nfs/dbraw/zinc/28/01/79/688280179.db2.gz JJKCSINZDHZVFU-UHFFFAOYSA-N 1 0 354.479 2.304 20 30 FEEDRO CCN(C(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N)[C@@H]1CC[NH2+]C1 ZINC000886997239 688352579 /nfs/dbraw/zinc/35/25/79/688352579.db2.gz JOQWQNUJLYHZAQ-ZIAGYGMSSA-N 1 0 360.483 2.230 20 30 FEEDRO C[C@@H]1C[N@@H+](CCCNC(=O)Nc2nc(Cl)c(C#N)s2)C[C@H](C)O1 ZINC000888406765 688605706 /nfs/dbraw/zinc/60/57/06/688605706.db2.gz HYXPCZKKEVCIOU-AOOOYVTPSA-N 1 0 357.867 2.289 20 30 FEEDRO N#Cc1sc(NC(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)nc1Cl ZINC000888421074 688609446 /nfs/dbraw/zinc/60/94/46/688609446.db2.gz XGWHJJBMZJJZRG-NSHDSACASA-N 1 0 369.878 2.244 20 30 FEEDRO C[N@@H+]1C[C@H]2CCN(C(=O)NCC#Cc3cccc(C(F)(F)F)c3)[C@@H]2C1 ZINC000891717297 689096534 /nfs/dbraw/zinc/09/65/34/689096534.db2.gz COQKUZDAVJSKTF-GDBMZVCRSA-N 1 0 351.372 2.402 20 30 FEEDRO C#CCSCC[NH2+][C@@H]1C[C@H](NC(=O)OC(C)(C)C)C12CCOCC2 ZINC000892994816 689277895 /nfs/dbraw/zinc/27/78/95/689277895.db2.gz ZBPSQCWXXLZBMA-CABCVRRESA-N 1 0 354.516 2.405 20 30 FEEDRO COC(=O)[C@@H]1[C@H](C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)C1(F)F ZINC000894004040 689447631 /nfs/dbraw/zinc/44/76/31/689447631.db2.gz WGZYGTFUMUEXKS-HOTGVXAUSA-N 1 0 350.365 2.456 20 30 FEEDRO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+][C@@H]1CCCN(O)C1=O ZINC000895162725 689669799 /nfs/dbraw/zinc/66/97/99/689669799.db2.gz NEQUSCCWOUATJZ-ZYHUDNBSSA-N 1 0 355.822 2.036 20 30 FEEDRO N#Cc1ncc(Br)cc1NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000896524401 689885227 /nfs/dbraw/zinc/88/52/27/689885227.db2.gz USRLPRWCBGJAOD-CYBMUJFWSA-N 1 0 351.248 2.381 20 30 FEEDRO CC(C)(C)OC(=O)N1CC[C@](O)(C[NH2+]Cc2cc(C#N)cnc2Cl)C1 ZINC000897695800 690065209 /nfs/dbraw/zinc/06/52/09/690065209.db2.gz RZLUUUOJVULDDB-KRWDZBQOSA-N 1 0 366.849 2.068 20 30 FEEDRO CCCC[C@H](ON=C(C)C)C(=O)N1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000898116094 690130121 /nfs/dbraw/zinc/13/01/21/690130121.db2.gz ZGQFTKOBBPJORT-KRWDZBQOSA-N 1 0 353.507 2.311 20 30 FEEDRO C=CCN(C(=O)c1ccc(NC2=[NH+]CCC2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000900310331 690498923 /nfs/dbraw/zinc/49/89/23/690498923.db2.gz OKVSEOUCHCPEJT-INIZCTEOSA-N 1 0 361.467 2.106 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)[C@H](O)c2cccc(Br)c2)CC1 ZINC000900598600 690536720 /nfs/dbraw/zinc/53/67/20/690536720.db2.gz KGGRWDWGLVBHBT-OAHLLOKOSA-N 1 0 353.260 2.249 20 30 FEEDRO C=CCN1CCN(C[N@H+]2CC[C@@H](CCNC(=O)OC(C)(C)C)C2)C1=O ZINC000902457507 690767742 /nfs/dbraw/zinc/76/77/42/690767742.db2.gz UAWSWVLCJNXASM-OAHLLOKOSA-N 1 0 352.479 2.104 20 30 FEEDRO N#Cc1cc(S(=O)(=O)N2CCC[C@@H]3CC[C@]32C[NH3+])ccc1C(F)(F)F ZINC000903536123 690915095 /nfs/dbraw/zinc/91/50/95/690915095.db2.gz ANXAUJUBPPKCHA-DOMZBBRYSA-N 1 0 373.400 2.469 20 30 FEEDRO C[NH2+]C[C@@H]1CCCCN1S(=O)(=O)c1cccc(Br)c1C#N ZINC000903575450 690927092 /nfs/dbraw/zinc/92/70/92/690927092.db2.gz PKHWEQZLLVVHRU-NSHDSACASA-N 1 0 372.288 2.083 20 30 FEEDRO C[C@@](O)(C[NH2+][C@H]1CCCN(CC(F)(F)F)C1=O)C(F)(F)C(F)(F)F ZINC000905183738 691076996 /nfs/dbraw/zinc/07/69/96/691076996.db2.gz UXPBFSDLGDEITR-IONNQARKSA-N 1 0 372.256 2.078 20 30 FEEDRO CN(CCC#N)C[C@@H](O)C[NH2+]Cc1cc(Br)ccc1Cl ZINC000905526598 691132881 /nfs/dbraw/zinc/13/28/81/691132881.db2.gz XKEKQBNNKUIFSB-ZDUSSCGKSA-N 1 0 360.683 2.398 20 30 FEEDRO C[C@H](C[NH2+]C[C@@H](O)CN(C)CCC#N)c1ccc(Br)cc1 ZINC000905644243 691155705 /nfs/dbraw/zinc/15/57/05/691155705.db2.gz OWVRHICETBBNBH-CZUORRHYSA-N 1 0 354.292 2.349 20 30 FEEDRO C[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(Br)c(C#N)c2)CC[N@@H+]1C ZINC000906988064 691362238 /nfs/dbraw/zinc/36/22/38/691362238.db2.gz OUOPSLGJEVVOHX-PWSUYJOCSA-N 1 0 372.288 2.082 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)N1CCC[C@H]1c1nc(C(=O)OCC)cs1 ZINC000907711813 691544783 /nfs/dbraw/zinc/54/47/83/691544783.db2.gz BLXIQOWQRSAREM-AWEZNQCLSA-N 1 0 351.472 2.491 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)N[C@H](C)Cc1c(OC)cc(OC)cc1OC ZINC000908696015 691715058 /nfs/dbraw/zinc/71/50/58/691715058.db2.gz GUYIJDXTXZBSPG-CQSZACIVSA-N 1 0 350.459 2.268 20 30 FEEDRO C[N@@H+]1CCO[C@@H]2CN(c3cnc(Cl)nc3Oc3ccccc3C#N)C[C@@H]21 ZINC001164667751 719481245 /nfs/dbraw/zinc/48/12/45/719481245.db2.gz MPYMHGMVZPTJHE-GOEBONIOSA-N 1 0 371.828 2.313 20 30 FEEDRO N#Cc1c[nH]c2nc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)ccc12 ZINC001164866367 721098494 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0 354.285 2.475 20 30 FEEDRO CN(CC1CC[NH+](C)CC1)c1nccnc1[C@H](C#N)C(=O)OC(C)(C)C ZINC001165045240 721938326 /nfs/dbraw/zinc/93/83/26/721938326.db2.gz WSTNOGAPHWUTDL-HNNXBMFYSA-N 1 0 359.474 2.203 20 30 FEEDRO Cc1cc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)ncc1C#N ZINC001164981564 722111239 /nfs/dbraw/zinc/11/12/39/722111239.db2.gz UNSHLMWLUDIQAT-ICSRJNTNSA-N 1 0 363.465 2.384 20 30 FEEDRO Cc1nccn1CCNC(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 ZINC000513089767 810728957 /nfs/dbraw/zinc/72/89/57/810728957.db2.gz QOVAGPCLJCPUNE-UHFFFAOYSA-N 1 0 353.361 2.210 20 30 FEEDRO CC[N@@H+]1CCC[C@@H](CN(C)C(=O)c2ccc(C#N)cn2)[C@@H]1c1cnn(C)c1 ZINC000328627755 210116610 /nfs/dbraw/zinc/11/66/10/210116610.db2.gz NBAAIPIMGHBQDK-QFBILLFUSA-N 1 0 366.469 2.232 20 30 FEEDRO N#Cc1ccc(OC[C@@H](O)CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000022865368 539701681 /nfs/dbraw/zinc/70/16/81/539701681.db2.gz SRGCIWCYVUWOQC-FQEVSTJZSA-N 1 0 351.450 2.116 20 30 FEEDRO C=C(C)C[N@@H+](CC)CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC ZINC000032758576 539951130 /nfs/dbraw/zinc/95/11/30/539951130.db2.gz BWKAGMPMRMLICM-SFHVURJKSA-N 1 0 357.454 2.266 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)Nc1ccc(C#N)cc1)C(C)C ZINC000041855973 540036802 /nfs/dbraw/zinc/03/68/02/540036802.db2.gz FMHXPXPVJUZXSV-SFHVURJKSA-N 1 0 354.454 2.312 20 30 FEEDRO CNC(=O)C1CC[NH+]([C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)CC1 ZINC000042567014 540066569 /nfs/dbraw/zinc/06/65/69/540066569.db2.gz DCHIMDZETBTQMQ-QGZVFWFLSA-N 1 0 370.497 2.397 20 30 FEEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000043085085 540087816 /nfs/dbraw/zinc/08/78/16/540087816.db2.gz XFSYSHBQJRWZHY-KBPBESRZSA-N 1 0 358.486 2.175 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12)C(C)C ZINC000046049446 540239243 /nfs/dbraw/zinc/23/92/43/540239243.db2.gz ITCWIKUZNUOXFE-MDZRGWNJSA-N 1 0 365.543 2.255 20 30 FEEDRO C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000046048523 540239352 /nfs/dbraw/zinc/23/93/52/540239352.db2.gz XKRJIGMSHUUJJE-APWZRJJASA-N 1 0 357.454 2.039 20 30 FEEDRO Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000046455630 540258002 /nfs/dbraw/zinc/25/80/02/540258002.db2.gz LUTVLYMACSXWSN-UHFFFAOYSA-N 1 0 368.485 2.139 20 30 FEEDRO C[C@@H](Cn1ccnc1)NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000047028742 540285587 /nfs/dbraw/zinc/28/55/87/540285587.db2.gz KHXMSDZUKSCAEJ-KRWDZBQOSA-N 1 0 366.469 2.061 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000047281168 540302013 /nfs/dbraw/zinc/30/20/13/540302013.db2.gz QHUQYTMLULSPRZ-UHFFFAOYSA-N 1 0 368.462 2.182 20 30 FEEDRO CCN1CC[NH+](CCCCNC(=O)Nc2cc(C#N)ccc2OC)CC1 ZINC000050108147 540399652 /nfs/dbraw/zinc/39/96/52/540399652.db2.gz QLIQISKBILPYNC-UHFFFAOYSA-N 1 0 359.474 2.106 20 30 FEEDRO CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000051053221 540420268 /nfs/dbraw/zinc/42/02/68/540420268.db2.gz KVOUWBUQTCPQMC-WDSOQIARSA-N 1 0 373.497 2.315 20 30 FEEDRO N#Cc1cccc(OCC[NH+]2CCC(C(=O)Nc3cnccn3)CC2)c1 ZINC000054251152 540577789 /nfs/dbraw/zinc/57/77/89/540577789.db2.gz GOFUMUZEXGTFEC-UHFFFAOYSA-N 1 0 351.410 2.078 20 30 FEEDRO COc1cc(C#N)ccc1OCC(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000054265833 540579272 /nfs/dbraw/zinc/57/92/72/540579272.db2.gz HVUCVWZBLMOXDJ-UHFFFAOYSA-N 1 0 353.422 2.194 20 30 FEEDRO Cc1ccc(C#N)cc1NC(=O)C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000057666550 540806720 /nfs/dbraw/zinc/80/67/20/540806720.db2.gz VTACDIBHHQEXGA-OAHLLOKOSA-N 1 0 356.470 2.434 20 30 FEEDRO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000058860001 540857987 /nfs/dbraw/zinc/85/79/87/540857987.db2.gz YJLAREDJJMSBSD-HXUWFJFHSA-N 1 0 372.513 2.105 20 30 FEEDRO N#CCc1ccc(OC[C@H](O)C[N@@H+]2CCCN(c3nccs3)CC2)cc1 ZINC000064518800 541209716 /nfs/dbraw/zinc/20/97/16/541209716.db2.gz CDDYARPSYPGYDW-QGZVFWFLSA-N 1 0 372.494 2.161 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)C[C@H]1Sc2ccccc2NC1=O ZINC000064381254 541203607 /nfs/dbraw/zinc/20/36/07/541203607.db2.gz KKKMDUFNVROMOD-MRXNPFEDSA-N 1 0 360.483 2.183 20 30 FEEDRO CCOC(=O)CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)c1cccc(C#N)c1 ZINC000064382208 541204002 /nfs/dbraw/zinc/20/40/02/541204002.db2.gz MEXDVDDAWUNYNY-GOSISDBHSA-N 1 0 357.454 2.438 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)CCC(=O)N(CCC#N)c2ccccc2)CC1 ZINC000066638986 541352460 /nfs/dbraw/zinc/35/24/60/541352460.db2.gz QFCLGTKJARIQCY-UHFFFAOYSA-N 1 0 368.481 2.480 20 30 FEEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)NC1CC[NH+](C)CC1 ZINC000066982362 541402875 /nfs/dbraw/zinc/40/28/75/541402875.db2.gz DSTOZEKDAJLWQE-CYBMUJFWSA-N 1 0 360.483 2.230 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)Nc2cc(Cl)ccc2N2CCOCC2)CC1 ZINC000067127887 541421312 /nfs/dbraw/zinc/42/13/12/541421312.db2.gz RLJNKKPCRHJJGU-UHFFFAOYSA-N 1 0 361.873 2.460 20 30 FEEDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)Nc1cccc(OCC#N)c1 ZINC000067438564 541464699 /nfs/dbraw/zinc/46/46/99/541464699.db2.gz RGLPCEHHHJFJPW-BZUAXINKSA-N 1 0 372.469 2.010 20 30 FEEDRO C=C(C)COc1cccc(NC(=O)C(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)c1 ZINC000067558419 541479870 /nfs/dbraw/zinc/47/98/70/541479870.db2.gz FAZLSMZTEDYNQK-MRXNPFEDSA-N 1 0 359.470 2.427 20 30 FEEDRO CC[N@@H+]1CC[C@H](CNC(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)C1 ZINC000542960840 541509657 /nfs/dbraw/zinc/50/96/57/541509657.db2.gz FEQVSAUMBYVOON-CQSZACIVSA-N 1 0 356.405 2.346 20 30 FEEDRO Cc1ncc(CON=C(N)c2ccccc2C[NH+]2CCC(O)CC2)s1 ZINC000068776604 541626319 /nfs/dbraw/zinc/62/63/19/541626319.db2.gz XDKRPCRNAWPUOM-UHFFFAOYSA-N 1 0 360.483 2.245 20 30 FEEDRO C[NH+]1CCC(NC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)CC1 ZINC000069383721 541681438 /nfs/dbraw/zinc/68/14/38/541681438.db2.gz OQAJRWPAZJJQAB-MRXNPFEDSA-N 1 0 359.449 2.060 20 30 FEEDRO C=CCNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(S(=O)(=O)N(CC)CC)cc1 ZINC000070753098 541740725 /nfs/dbraw/zinc/74/07/25/541740725.db2.gz ROPQYJHBWMOODN-GJZGRUSLSA-N 1 0 367.515 2.058 20 30 FEEDRO N#CCSCCC[N@H+]1CCC[C@H](NS(=O)(=O)c2ccccc2)C1 ZINC000072517789 541824988 /nfs/dbraw/zinc/82/49/88/541824988.db2.gz SLVOOJGCPSBCTJ-HNNXBMFYSA-N 1 0 353.513 2.076 20 30 FEEDRO Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000545198167 541901218 /nfs/dbraw/zinc/90/12/18/541901218.db2.gz YHWZUFUBIYPPMB-CQSZACIVSA-N 1 0 367.457 2.301 20 30 FEEDRO CCN(CC)C(=O)C[N@@H+]1CCCN(Cc2cn3ccccc3c2C#N)CC1 ZINC000073616081 541973688 /nfs/dbraw/zinc/97/36/88/541973688.db2.gz TXFNAZUPAFWGHK-UHFFFAOYSA-N 1 0 367.497 2.187 20 30 FEEDRO N#Cc1ccc(-c2nnc(CN3CCC[C@@H](C[NH+]4CCOCC4)C3)o2)cc1 ZINC000075739170 542201668 /nfs/dbraw/zinc/20/16/68/542201668.db2.gz AWWPDQFJXDYNTG-KRWDZBQOSA-N 1 0 367.453 2.152 20 30 FEEDRO CCC[NH+]1CCC(NC(=O)C(=O)Nc2cc(C#N)ccc2OC(C)C)CC1 ZINC000076315981 542260602 /nfs/dbraw/zinc/26/06/02/542260602.db2.gz NLSDJXDLGZQZIT-UHFFFAOYSA-N 1 0 372.469 2.275 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(OCC)c(Cl)c2)CC1 ZINC000076526127 542288944 /nfs/dbraw/zinc/28/89/44/542288944.db2.gz UMBIMWZXTMIDBR-UHFFFAOYSA-N 1 0 365.861 2.444 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(OCCC)cc2C)CC1 ZINC000076526329 542289186 /nfs/dbraw/zinc/28/91/86/542289186.db2.gz GBSMAQQLAMSNEV-UHFFFAOYSA-N 1 0 359.470 2.489 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)[C@H]2CCC(=O)N(C)[C@H]2c2cccs2)CC1 ZINC000076593101 542298605 /nfs/dbraw/zinc/29/86/05/542298605.db2.gz HAQQEAPCTYRFCO-MAUKXSAKSA-N 1 0 361.511 2.424 20 30 FEEDRO COc1cc(C#N)ccc1OCC[NH+]1CCC(C(=O)N2CCCC2)CC1 ZINC000077248099 542359343 /nfs/dbraw/zinc/35/93/43/542359343.db2.gz PQHQYEGJOGDELI-UHFFFAOYSA-N 1 0 357.454 2.280 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)NCCCOCC2CCOCC2)CC1 ZINC000077567011 542398393 /nfs/dbraw/zinc/39/83/93/542398393.db2.gz AFPQWUQAOPZPRY-UHFFFAOYSA-N 1 0 353.507 2.159 20 30 FEEDRO CO[C@@H](C)c1nc(CN2CCC[N@H+](CCO[C@H](C)C#N)CC2)cs1 ZINC000801926682 674155416 /nfs/dbraw/zinc/15/54/16/674155416.db2.gz UYRJSOWSEOWBEX-CABCVRRESA-N 1 0 352.504 2.287 20 30 FEEDRO CCOc1ccccc1NC(=O)CO[NH+]=C(N)c1ccc(N(C)C)cc1 ZINC000079863541 542546184 /nfs/dbraw/zinc/54/61/84/542546184.db2.gz SZTBMYQCLCGBHH-UHFFFAOYSA-N 1 0 356.426 2.427 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CC[C@](O)(C(F)(F)F)C1)C(C)C ZINC000081478408 542659696 /nfs/dbraw/zinc/65/96/96/542659696.db2.gz DPBHJHZCEDMXDL-GOEBONIOSA-N 1 0 363.424 2.394 20 30 FEEDRO COC(=O)[C@H](NCC1([NH+]2CCCC2)CCOCC1)c1cccc(C#N)c1 ZINC000083031353 542690146 /nfs/dbraw/zinc/69/01/46/542690146.db2.gz XPKUCEPDVAKJES-GOSISDBHSA-N 1 0 357.454 2.007 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1ncn(Cc2ccccc2)n1 ZINC000086284455 542735786 /nfs/dbraw/zinc/73/57/86/542735786.db2.gz ONLSGTHXXBPLBW-UHFFFAOYSA-N 1 0 355.446 2.026 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2ccn(-c3cccc(F)c3)n2)c1C#N ZINC000089675515 542768405 /nfs/dbraw/zinc/76/84/05/542768405.db2.gz SGABQHRZBDWPCY-UHFFFAOYSA-N 1 0 367.388 2.010 20 30 FEEDRO C[NH+](C)CCOc1ccc(CNC(=O)Cc2cccc(OCC#N)c2)cc1 ZINC000089757499 542769715 /nfs/dbraw/zinc/76/97/15/542769715.db2.gz FIEXFUOEGKTORR-UHFFFAOYSA-N 1 0 367.449 2.388 20 30 FEEDRO C[C@@H](C(=O)N1CCCN(c2ncccc2C#N)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000101655181 543040066 /nfs/dbraw/zinc/04/00/66/543040066.db2.gz PYCCJDFMSPOCGW-BBWFWOEESA-N 1 0 355.486 2.253 20 30 FEEDRO COCC[N@H+](C)CCCNC(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000102803135 543081120 /nfs/dbraw/zinc/08/11/20/543081120.db2.gz PIHVLDACYWKILB-UHFFFAOYSA-N 1 0 356.373 2.249 20 30 FEEDRO CC[C@H](C)[N@H+](C)CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000104686149 543137574 /nfs/dbraw/zinc/13/75/74/543137574.db2.gz MOWIRVAANNXMEK-AWEZNQCLSA-N 1 0 371.441 2.185 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)CCN2c3ccccc3O[C@H](C)C2=O)CC1 ZINC000106038001 543186174 /nfs/dbraw/zinc/18/61/74/543186174.db2.gz XKWNMJXXKNZFJD-MRXNPFEDSA-N 1 0 371.481 2.347 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)Cc2csc(NC(=O)C(C)C)n2)CC1 ZINC000106036035 543186330 /nfs/dbraw/zinc/18/63/30/543186330.db2.gz INZBAKCVQLPGCO-UHFFFAOYSA-N 1 0 364.515 2.437 20 30 FEEDRO CCOCC[NH+]1CCN(CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000106105804 543198437 /nfs/dbraw/zinc/19/84/37/543198437.db2.gz IJMWMXKGDRCJIM-UHFFFAOYSA-N 1 0 364.877 2.194 20 30 FEEDRO C[N@H+](CCC(=O)Nc1sccc1C#N)C[C@H]1CCCN1c1cccnn1 ZINC000106089018 543193895 /nfs/dbraw/zinc/19/38/95/543193895.db2.gz JBEACQBJLCECQM-OAHLLOKOSA-N 1 0 370.482 2.339 20 30 FEEDRO CC[C@@H]1CN(C(=O)Nc2cc(C#N)cn2C(C)(C)C)CC[N@@H+]1C[C@H](C)O ZINC000247452106 549335004 /nfs/dbraw/zinc/33/50/04/549335004.db2.gz HNVKJQFKJLXBJP-GOEBONIOSA-N 1 0 361.490 2.424 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)NCCN2CCc3sccc3C2)CC1 ZINC000106265726 543221406 /nfs/dbraw/zinc/22/14/06/543221406.db2.gz JBHYVQNDBQPFCJ-UHFFFAOYSA-N 1 0 362.543 2.446 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2cccnc2-n2cccn2)CC1 ZINC000106263274 543221868 /nfs/dbraw/zinc/22/18/68/543221868.db2.gz DFYVKMNMQBPADT-UHFFFAOYSA-N 1 0 354.458 2.107 20 30 FEEDRO CC1CC[NH+]([C@H](CNC(=O)N2CCO[C@@H](C#N)C2)c2cccs2)CC1 ZINC000106328506 543223333 /nfs/dbraw/zinc/22/33/33/543223333.db2.gz SDCDMJRSLCLGNC-JKSUJKDBSA-N 1 0 362.499 2.455 20 30 FEEDRO N#C[C@H]1CN(C(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)CCO1 ZINC000106331364 543223404 /nfs/dbraw/zinc/22/34/04/543223404.db2.gz ZGYKQXZEUCOIGN-DLBZAZTESA-N 1 0 362.861 2.411 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cccc(-c3cnco3)c2)CC1 ZINC000106348990 543224802 /nfs/dbraw/zinc/22/48/02/543224802.db2.gz OWMLSJQCUBEZKU-UHFFFAOYSA-N 1 0 368.437 2.437 20 30 FEEDRO COc1ccc(C[N@H+](CCO)CCOc2cccc(C#N)c2)c(OC)c1 ZINC000111322412 543396742 /nfs/dbraw/zinc/39/67/42/543396742.db2.gz UNUIWRNNWSTRCA-UHFFFAOYSA-N 1 0 356.422 2.449 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000111613876 543408602 /nfs/dbraw/zinc/40/86/02/543408602.db2.gz YJUXCSMQCCZUAW-UHFFFAOYSA-N 1 0 370.409 2.207 20 30 FEEDRO C[C@@H](CNC(=O)C(=O)Nc1cccc(C#N)c1)[N@H+](C)Cc1ccccc1 ZINC000111910932 543424623 /nfs/dbraw/zinc/42/46/23/543424623.db2.gz ZRHHSVVKQXQPBH-HNNXBMFYSA-N 1 0 350.422 2.133 20 30 FEEDRO COc1ccc(O)c(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)c1 ZINC000112821123 543464241 /nfs/dbraw/zinc/46/42/41/543464241.db2.gz PBSMIJUNILCPQY-UHFFFAOYSA-N 1 0 353.422 2.476 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1n[nH]c(=O)c2ccccc21)C(C)C ZINC000112919771 543468405 /nfs/dbraw/zinc/46/84/05/543468405.db2.gz FKNDPFSYEAVNNV-KRWDZBQOSA-N 1 0 354.454 2.352 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1cnc2ccc(C)cn2c1=O)C(C)C ZINC000112919825 543468774 /nfs/dbraw/zinc/46/87/74/543468774.db2.gz JHQKPKUMUNSOLE-GOSISDBHSA-N 1 0 368.481 2.431 20 30 FEEDRO COc1cc(/C=C/C(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)ccc1OCC#N ZINC000113226728 543477771 /nfs/dbraw/zinc/47/77/71/543477771.db2.gz RCMMYBSEVCJSMJ-FJVHFBRSSA-N 1 0 355.438 2.306 20 30 FEEDRO CCS(=O)(=O)C[C@@H](C)[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000113349847 543484623 /nfs/dbraw/zinc/48/46/23/543484623.db2.gz BWUDWNNSIJAMLQ-OAHLLOKOSA-N 1 0 360.483 2.377 20 30 FEEDRO C[NH+](C)C[C@@H]1CCN(CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC000114477983 543519409 /nfs/dbraw/zinc/51/94/09/543519409.db2.gz QMIPRZBMRWKNJV-INIZCTEOSA-N 1 0 367.415 2.057 20 30 FEEDRO CC[NH+](CC)[C@H](C)CNC(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 ZINC000114587157 543524729 /nfs/dbraw/zinc/52/47/29/543524729.db2.gz WTBBDXJGACLPEZ-IEBWSBKVSA-N 1 0 357.502 2.136 20 30 FEEDRO C[C@H](NC(=O)c1ccc(C#N)nc1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000115055378 543550262 /nfs/dbraw/zinc/55/02/62/543550262.db2.gz HFIFNDSGPBGMDW-AWEZNQCLSA-N 1 0 367.428 2.335 20 30 FEEDRO COc1ccc([C@H]2[C@H](CNS(=O)(=O)CCCC#N)CCC[N@@H+]2C)cc1 ZINC000115587873 543576075 /nfs/dbraw/zinc/57/60/75/543576075.db2.gz GBUUUQUHTLICRB-WMZOPIPTSA-N 1 0 365.499 2.301 20 30 FEEDRO CC(C)[N@H+](C)CCNC(=O)C(=O)Nc1cccc(C#Cc2ccccc2)c1 ZINC000118122375 543646836 /nfs/dbraw/zinc/64/68/36/543646836.db2.gz WDYAURZKNFZXCO-UHFFFAOYSA-N 1 0 363.461 2.481 20 30 FEEDRO COc1ccc(C[NH2+]CC2CCS(=O)(=O)CC2)cc1OCCCC#N ZINC000120930073 543686840 /nfs/dbraw/zinc/68/68/40/543686840.db2.gz HLHPUBHOGFZFFC-UHFFFAOYSA-N 1 0 366.483 2.292 20 30 FEEDRO C#CCOc1cccc(NC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000120606795 543682517 /nfs/dbraw/zinc/68/25/17/543682517.db2.gz NNVFYDSQBFXZEV-SFHVURJKSA-N 1 0 369.465 2.114 20 30 FEEDRO CCc1nc2cc(NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C)ccc2o1 ZINC000122095706 543703178 /nfs/dbraw/zinc/70/31/78/543703178.db2.gz DTHCNTJQPXKOPA-UHFFFAOYSA-N 1 0 371.441 2.023 20 30 FEEDRO C=CCOc1ccccc1C[NH2+]CCNS(=O)(=O)c1cccs1 ZINC000122198401 543704249 /nfs/dbraw/zinc/70/42/49/543704249.db2.gz FHGJXLJYONPCFR-UHFFFAOYSA-N 1 0 352.481 2.381 20 30 FEEDRO C=CCOc1cc(OC)ccc1C(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000124881714 543848459 /nfs/dbraw/zinc/84/84/59/543848459.db2.gz XRAKLWJJAIZMQX-HZPDHXFCSA-N 1 0 362.470 2.489 20 30 FEEDRO C[C@@H]1C[C@H](NS(=O)(=O)c2ccccc2C#N)C[N@@H+]1Cc1ccccc1 ZINC000126358749 543931676 /nfs/dbraw/zinc/93/16/76/543931676.db2.gz IFBQSXGNZZIPQH-QAPCUYQASA-N 1 0 355.463 2.500 20 30 FEEDRO CCC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2c(F)cc(C#N)cc2F)C1 ZINC000125768975 543900600 /nfs/dbraw/zinc/90/06/00/543900600.db2.gz LNTJUKBRRVGZKR-LBPRGKRZSA-N 1 0 357.426 2.189 20 30 FEEDRO C[NH+]=C(NC[C@H]1CCOc2ccccc21)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000126902900 543962335 /nfs/dbraw/zinc/96/23/35/543962335.db2.gz QDFJXKDTMOFRSS-HZPDHXFCSA-N 1 0 353.470 2.351 20 30 FEEDRO N#Cc1ccc([C@H](O)C[NH2+][C@@H](CN2CCOCC2)c2ccccc2)cc1 ZINC000126905165 543962746 /nfs/dbraw/zinc/96/27/46/543962746.db2.gz VVJAKWFIZCRQLC-LEWJYISDSA-N 1 0 351.450 2.255 20 30 FEEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000127279207 543983185 /nfs/dbraw/zinc/98/31/85/543983185.db2.gz HWQIHDJNGIMTOB-GOSISDBHSA-N 1 0 357.502 2.291 20 30 FEEDRO C[C@@H]1C[C@H](NC(=O)N2CCN(c3cccc(F)c3C#N)CC2)C[N@@H+]1C1CC1 ZINC000127555474 544000310 /nfs/dbraw/zinc/00/03/10/544000310.db2.gz RYAOOKPUEPAEAE-CABCVRRESA-N 1 0 371.460 2.154 20 30 FEEDRO CC(C)(C#N)c1ccccc1C[NH+]1CCC(N2CCC[C@@H]2C(N)=O)CC1 ZINC000131338526 544186618 /nfs/dbraw/zinc/18/66/18/544186618.db2.gz ITHQATDYGDGDHL-LJQANCHMSA-N 1 0 354.498 2.402 20 30 FEEDRO C[C@H](NC(=O)C(=O)Nc1cccc(OCCCC#N)c1)C(C)(C)C[NH+](C)C ZINC000133181223 544259538 /nfs/dbraw/zinc/25/95/38/544259538.db2.gz OCIJCSAFWRXNHS-HNNXBMFYSA-N 1 0 374.485 2.400 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H]2COc3ccc(Cl)cc3C2)c1C#N ZINC000133387674 544267592 /nfs/dbraw/zinc/26/75/92/544267592.db2.gz KDECKFYSNJHGND-LBPRGKRZSA-N 1 0 373.844 2.277 20 30 FEEDRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)Nc1ccccc1SCCC#N ZINC000133916874 544288064 /nfs/dbraw/zinc/28/80/64/544288064.db2.gz PGWBGJIPXVSUFI-OAHLLOKOSA-N 1 0 374.510 2.431 20 30 FEEDRO C[C@@H]1CCC[N@H+](CCCCNC(=O)C(=O)Nc2ccc(C#N)cc2F)C1 ZINC000135835313 544361933 /nfs/dbraw/zinc/36/19/33/544361933.db2.gz KOXGYATVZMXTMU-CQSZACIVSA-N 1 0 360.433 2.264 20 30 FEEDRO N#Cc1ccccc1NC(=O)CCCC(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000151463093 544545390 /nfs/dbraw/zinc/54/53/90/544545390.db2.gz CRRZEWUZIMPMOW-KRWDZBQOSA-N 1 0 354.454 2.364 20 30 FEEDRO N#Cc1cc(F)ccc1S(=O)(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000151986645 544603701 /nfs/dbraw/zinc/60/37/01/544603701.db2.gz FRYDOMOXVMVAMR-MRXNPFEDSA-N 1 0 351.447 2.336 20 30 FEEDRO CCOc1ccc(NC(=O)[C@H](C)[N@H+](C)CCCc2[nH]nc(N)c2C#N)cc1 ZINC000153321254 544761409 /nfs/dbraw/zinc/76/14/09/544761409.db2.gz JEXYMZFIPGGWQY-ZDUSSCGKSA-N 1 0 370.457 2.154 20 30 FEEDRO C[NH+]=C(NC[C@H](C)Sc1ccccc1)N[C@H]1CCc2nc(C)nn2C1 ZINC000153397248 544770234 /nfs/dbraw/zinc/77/02/34/544770234.db2.gz IVYLSPNSBXGZMO-ZFWWWQNUSA-N 1 0 358.515 2.247 20 30 FEEDRO O=C(C[N@@H+]1CC[C@]2(CCOC2)C1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000154035290 544856567 /nfs/dbraw/zinc/85/65/67/544856567.db2.gz NKDDYFVJDLNDKR-SFHVURJKSA-N 1 0 366.383 2.286 20 30 FEEDRO C=CCCOCCNC(=O)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000154706381 544939795 /nfs/dbraw/zinc/93/97/95/544939795.db2.gz YHQAMGITTAORRT-UHFFFAOYSA-N 1 0 359.470 2.320 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)C(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000552689086 674220178 /nfs/dbraw/zinc/22/01/78/674220178.db2.gz OCVAVWSCPBMPMX-INIZCTEOSA-N 1 0 363.527 2.499 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(C)[C@@H]2CC[C@H](SCC)C2)CC1 ZINC000553397638 674257870 /nfs/dbraw/zinc/25/78/70/674257870.db2.gz VWIDLHATOGHYNH-SJORKVTESA-N 1 0 367.559 2.276 20 30 FEEDRO Cn1cc(CN2CC[NH+](C[C@@H]3CCOC3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000180231596 327677399 /nfs/dbraw/zinc/67/73/99/327677399.db2.gz MZQVWJCEAYQUGK-SFHVURJKSA-N 1 0 365.481 2.113 20 30 FEEDRO CC[C@H](O)C[NH+]1CCN(Cc2ccc(C#N)cc2Br)CC1 ZINC000181122058 327716707 /nfs/dbraw/zinc/71/67/07/327716707.db2.gz CNCHKYJRWQWMQX-HNNXBMFYSA-N 1 0 352.276 2.209 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H](CCO)C2CCCCC2)cc1 ZINC000181498223 327733147 /nfs/dbraw/zinc/73/31/47/327733147.db2.gz OBNSVAQLJPIQMB-SFHVURJKSA-N 1 0 350.484 2.253 20 30 FEEDRO C#C[C@@H](NC(=O)CCN1CC[NH+](CC)CC1)c1ccc(Cl)cc1F ZINC000804420415 674285677 /nfs/dbraw/zinc/28/56/77/674285677.db2.gz HVXDAVNEJIPYDT-QGZVFWFLSA-N 1 0 351.853 2.297 20 30 FEEDRO C[C@@H]1C[NH+](CC2CCN(C(=O)c3ccc(C#N)c(O)c3)CC2)C[C@@H](C)O1 ZINC000187988594 328058522 /nfs/dbraw/zinc/05/85/22/328058522.db2.gz XXEVPTKECVYBQH-HUUCEWRRSA-N 1 0 357.454 2.225 20 30 FEEDRO C[C@@H](c1cccc(C#N)c1)[NH+]1CCN(c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000187936391 328055280 /nfs/dbraw/zinc/05/52/80/328055280.db2.gz PTRGKDKZDMFPAD-HNNXBMFYSA-N 1 0 370.478 2.089 20 30 FEEDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C1CCN(c2oc(C)nc2C#N)CC1 ZINC000189381260 328144541 /nfs/dbraw/zinc/14/45/41/328144541.db2.gz FZMVDSNBVRUCDF-QGZVFWFLSA-N 1 0 373.501 2.452 20 30 FEEDRO Cc1nc(C#N)c(N2CCC(C(=O)N[C@@H](CC(C)C)C[NH+](C)C)CC2)o1 ZINC000189490809 328151336 /nfs/dbraw/zinc/15/13/36/328151336.db2.gz CUQJGQQLKXFLSV-INIZCTEOSA-N 1 0 361.490 2.164 20 30 FEEDRO N#Cc1ccc(NC(=O)CC[NH+]2CCN(c3cc(C4CC4)[nH]n3)CC2)cc1 ZINC000189633483 328159112 /nfs/dbraw/zinc/15/91/12/328159112.db2.gz WIIVULJTUZJELU-UHFFFAOYSA-N 1 0 364.453 2.310 20 30 FEEDRO N#Cc1ccc(N2C(=O)C[C@H](N3CCC([C@H]4CCCO4)CC3)C2=O)cc1 ZINC000190079540 328186354 /nfs/dbraw/zinc/18/63/54/328186354.db2.gz VXIQRSVWOSVGAQ-ZWKOTPCHSA-N 1 0 353.422 2.081 20 30 FEEDRO CCc1nnc(C2CC[NH+](CCC(=O)Nc3ccc(C#N)cc3)CC2)[nH]1 ZINC000190688818 328224918 /nfs/dbraw/zinc/22/49/18/328224918.db2.gz OIRWMHPGPNGVCL-UHFFFAOYSA-N 1 0 352.442 2.447 20 30 FEEDRO CCOc1ccc(C#N)cc1NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000190849024 328235972 /nfs/dbraw/zinc/23/59/72/328235972.db2.gz UWCBGEOYWPGVHG-RHSMWYFYSA-N 1 0 372.469 2.084 20 30 FEEDRO C[C@@H](NC(=O)C(=O)Nc1ccc(C#N)cc1)[C@@H](c1ccccc1)[NH+](C)C ZINC000191254839 328256650 /nfs/dbraw/zinc/25/66/50/328256650.db2.gz QRKMUKZQWJZNCZ-KDOFPFPSSA-N 1 0 350.422 2.304 20 30 FEEDRO Cn1cc(C[NH2+]CCN2CCN(c3cccc(Cl)c3)CC2)cc1C#N ZINC000191352408 328261398 /nfs/dbraw/zinc/26/13/98/328261398.db2.gz IVISDOFQWRQBAW-UHFFFAOYSA-N 1 0 357.889 2.462 20 30 FEEDRO C[C@@H](O)C[N@@H+]1CCN(Cc2cc(C#N)ccc2Br)C[C@H]1C ZINC000191784729 328281634 /nfs/dbraw/zinc/28/16/34/328281634.db2.gz ONPKKEJUHBQUJV-CHWSQXEVSA-N 1 0 352.276 2.208 20 30 FEEDRO CC(C)[C@H](CNC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C)[NH+]1CCCC1 ZINC000192722563 328335327 /nfs/dbraw/zinc/33/53/27/328335327.db2.gz LQEHEICFRVOCHN-INIZCTEOSA-N 1 0 373.501 2.290 20 30 FEEDRO C[N@H+](CCCc1[nH]nc(N)c1C#N)[C@@H]1CCCN(c2cccc(F)c2)C1=O ZINC000089942680 325343594 /nfs/dbraw/zinc/34/35/94/325343594.db2.gz VAEUYPWNDOCISS-QGZVFWFLSA-N 1 0 370.432 2.063 20 30 FEEDRO Cc1ccc(F)cc1NC(=O)[C@H](C)[N@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000089943595 325343621 /nfs/dbraw/zinc/34/36/21/325343621.db2.gz MPKCJSIXZGIINZ-LBPRGKRZSA-N 1 0 358.421 2.203 20 30 FEEDRO Cc1oc(NC(=O)[C@@H](C)N2CCC[C@H](C[NH+]3CCOCC3)C2)c(C#N)c1C ZINC000112202086 325760457 /nfs/dbraw/zinc/76/04/57/325760457.db2.gz KHLXNNBKNYKKAB-NVXWUHKLSA-N 1 0 374.485 2.139 20 30 FEEDRO N#Cc1ccc(N2CC[NH+](CCC(=O)N3CCc4ccccc43)CC2)nc1 ZINC000115674929 325972521 /nfs/dbraw/zinc/97/25/21/325972521.db2.gz XATXIHGGPLUZKG-UHFFFAOYSA-N 1 0 361.449 2.055 20 30 FEEDRO CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CCCN(c2ncccc2C#N)CC1 ZINC000118780474 326102043 /nfs/dbraw/zinc/10/20/43/326102043.db2.gz VOYZCWDJIVYLBI-SFHVURJKSA-N 1 0 355.486 2.255 20 30 FEEDRO CCN1CC[NH+](C[C@@H](C)CNC(=O)N[C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000118810781 326104455 /nfs/dbraw/zinc/10/44/55/326104455.db2.gz DWSSAPCOVRQRHG-IRXDYDNUSA-N 1 0 357.502 2.192 20 30 FEEDRO N#Cc1ccc(OC[C@H](O)C[NH+]2CCC(CN3CCCCC3=O)CC2)cc1 ZINC000118852204 326108486 /nfs/dbraw/zinc/10/84/86/326108486.db2.gz XTQAXOBXPNMJHB-LJQANCHMSA-N 1 0 371.481 2.022 20 30 FEEDRO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)Nc2ccc(OC(C)C)c(C#N)c2)C1 ZINC000119003865 326117784 /nfs/dbraw/zinc/11/77/84/326117784.db2.gz MQEOLMCSZDHVHU-KRWDZBQOSA-N 1 0 372.469 2.227 20 30 FEEDRO CC(C)Oc1ccc(NC(=O)C(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc1C#N ZINC000119207927 326137802 /nfs/dbraw/zinc/13/78/02/326137802.db2.gz BNWFQMVDUXKOMG-BBRMVZONSA-N 1 0 370.453 2.025 20 30 FEEDRO C[C@@H](NC(=O)CNC(=O)c1ccc(C#N)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000119859521 326205704 /nfs/dbraw/zinc/20/57/04/326205704.db2.gz UWRKFXJNNWYSHC-CRAIPNDOSA-N 1 0 368.481 2.057 20 30 FEEDRO N#Cc1cccc(NC(=O)CC[N@@H+]2CC[C@H]3[C@H](CCC(=O)N3C3CC3)C2)c1 ZINC000120085316 326228718 /nfs/dbraw/zinc/22/87/18/326228718.db2.gz UGBUADBPQQKWLU-APWZRJJASA-N 1 0 366.465 2.362 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000120736221 326283692 /nfs/dbraw/zinc/28/36/92/326283692.db2.gz ZFMNROJQYFXJIR-OTWHNJEPSA-N 1 0 370.497 2.445 20 30 FEEDRO N#Cc1ccc(N2CC[C@@H](C[NH+]3CCOCC3)C2)c(Br)c1 ZINC000123907357 326444416 /nfs/dbraw/zinc/44/44/16/326444416.db2.gz LLOYKHGJHALLOQ-AWEZNQCLSA-N 1 0 350.260 2.479 20 30 FEEDRO C[NH+](C)CCOc1ccc(NC(=O)C(=O)Nc2ccc(F)c(C#N)c2)cc1 ZINC000125351500 326470144 /nfs/dbraw/zinc/47/01/44/326470144.db2.gz VGRFRAAZIRDLFO-UHFFFAOYSA-N 1 0 370.384 2.215 20 30 FEEDRO COc1cc(C#N)ccc1OCC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000150773560 326667391 /nfs/dbraw/zinc/66/73/91/326667391.db2.gz VHGMITGEFKGXRE-QGZVFWFLSA-N 1 0 357.454 2.423 20 30 FEEDRO CN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000154776202 326768769 /nfs/dbraw/zinc/76/87/69/326768769.db2.gz ZQGBTUMTDATDLM-UHFFFAOYSA-N 1 0 366.421 2.309 20 30 FEEDRO CN(Cc1cccc(C#N)c1)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000155903108 326810189 /nfs/dbraw/zinc/81/01/89/326810189.db2.gz USJOTFVLARNOKE-UXHICEINSA-N 1 0 370.497 2.468 20 30 FEEDRO N#Cc1ccc(NCC(=O)N2CC[C@H](OCC[NH+]3CCCCC3)C2)cc1 ZINC000159590487 326936345 /nfs/dbraw/zinc/93/63/45/326936345.db2.gz NROSHVQIEQSFEB-IBGZPJMESA-N 1 0 356.470 2.074 20 30 FEEDRO CC1CC[NH+](CCCNS(=O)(=O)Cc2cc(C#N)ccc2F)CC1 ZINC000160446874 326965969 /nfs/dbraw/zinc/96/59/69/326965969.db2.gz SMGLXGILLWCFFC-UHFFFAOYSA-N 1 0 353.463 2.239 20 30 FEEDRO COc1ccccc1OC[C@@H](C)C[NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000162324788 327022611 /nfs/dbraw/zinc/02/26/11/327022611.db2.gz GDCKRRVPALCTOH-IFXJQAMLSA-N 1 0 353.422 2.398 20 30 FEEDRO N#Cc1ccc(N2CC[C@H](N3CCC(C[NH+]4CCCC4)CC3)C2=O)cc1 ZINC000171671611 327153990 /nfs/dbraw/zinc/15/39/90/327153990.db2.gz AGZXUHRPLNKYFJ-FQEVSTJZSA-N 1 0 352.482 2.471 20 30 FEEDRO COCC[N@H+](CCO)CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000264267011 329005936 /nfs/dbraw/zinc/00/59/36/329005936.db2.gz KPCLSPMOZJTURS-UHFFFAOYSA-N 1 0 365.499 2.158 20 30 FEEDRO CCN(CC)C(=O)CCCC(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000264761948 329057709 /nfs/dbraw/zinc/05/77/09/329057709.db2.gz LNURZGVURVFMFR-UHFFFAOYSA-N 1 0 372.513 2.487 20 30 FEEDRO CO[C@@H](C)c1noc(CN2CCC[N@H+](Cc3cccc(C#N)c3)CC2)n1 ZINC000267425837 329325947 /nfs/dbraw/zinc/32/59/47/329325947.db2.gz XMRDIGBTBKLPRI-HNNXBMFYSA-N 1 0 355.442 2.357 20 30 FEEDRO CN(C)C(=O)CC[NH+]1CCN(c2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000268372664 329412911 /nfs/dbraw/zinc/41/29/11/329412911.db2.gz GXLSAYRVDLYJNL-UHFFFAOYSA-N 1 0 354.376 2.177 20 30 FEEDRO CS[C@@H]1CN([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C[C@@H]1[NH+](C)C ZINC000270659665 329619615 /nfs/dbraw/zinc/61/96/15/329619615.db2.gz OJQXQXVMESMHTE-BYCMXARLSA-N 1 0 350.488 2.073 20 30 FEEDRO N#Cc1ccc(NC(=O)CC[N@@H+](CCO)C2CCOCC2)cc1Cl ZINC000275603121 330068829 /nfs/dbraw/zinc/06/88/29/330068829.db2.gz RSPNYSOINLYWMB-UHFFFAOYSA-N 1 0 351.834 2.014 20 30 FEEDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1ccc(C#N)cc1Cl ZINC000275893443 330100767 /nfs/dbraw/zinc/10/07/67/330100767.db2.gz HWPIZFRSCAVOGS-KGLIPLIRSA-N 1 0 360.845 2.235 20 30 FEEDRO N#Cc1ccc(NC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)c(Cl)c1 ZINC000275989095 330109362 /nfs/dbraw/zinc/10/93/62/330109362.db2.gz JMEDBGPFGMCXTB-CQSZACIVSA-N 1 0 360.845 2.237 20 30 FEEDRO C=CCOc1ccc(C[NH2+]C[C@H]2CCCCN2S(=O)(=O)N(C)C)cc1 ZINC000554722714 674332602 /nfs/dbraw/zinc/33/26/02/674332602.db2.gz BGDXINPMQACDRY-QGZVFWFLSA-N 1 0 367.515 2.002 20 30 FEEDRO C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000805795833 674354643 /nfs/dbraw/zinc/35/46/43/674354643.db2.gz XBDBYQRNYHPZCT-BEFAXECRSA-N 1 0 351.491 2.400 20 30 FEEDRO C#CCOc1cccc(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)c1 ZINC000155466817 545530074 /nfs/dbraw/zinc/53/00/74/545530074.db2.gz KFMWLAAXSOLBPK-KRWDZBQOSA-N 1 0 371.481 2.121 20 30 FEEDRO C[N@H+](Cc1ccccc1)CC(C)(C)NS(=O)(=O)c1ccc(C#N)nc1 ZINC000155696891 545558762 /nfs/dbraw/zinc/55/87/62/545558762.db2.gz AAMKWSGUVJVESW-UHFFFAOYSA-N 1 0 358.467 2.142 20 30 FEEDRO CN/C(=[NH+]/C)N1CCC(Oc2ccccc2I)CC1 ZINC000156256837 545611745 /nfs/dbraw/zinc/61/17/45/545611745.db2.gz CDHARBSDWVBTNT-UHFFFAOYSA-N 1 0 373.238 2.340 20 30 FEEDRO CN(C[C@H]1CC[N@H+](C)C1)S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000157243930 545717779 /nfs/dbraw/zinc/71/77/79/545717779.db2.gz GPMGJZAEKQASLN-NSHDSACASA-N 1 0 361.389 2.149 20 30 FEEDRO C=CCOc1cccc(NC(=O)C(=O)NC2CCC(C[NH+](C)C)CC2)c1 ZINC000158145347 545827756 /nfs/dbraw/zinc/82/77/56/545827756.db2.gz GKOFFJWCLAWGDJ-UHFFFAOYSA-N 1 0 359.470 2.427 20 30 FEEDRO C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000158350640 545851820 /nfs/dbraw/zinc/85/18/20/545851820.db2.gz IKDBPARPQFFWAG-FXAWDEMLSA-N 1 0 371.481 2.429 20 30 FEEDRO C[NH+]=C(NCc1nc(-c2cccc(Cl)c2)no1)N[C@H]1C[C@H]2CC[C@@H]1O2 ZINC000159725865 545975890 /nfs/dbraw/zinc/97/58/90/545975890.db2.gz IXBAWPGOWDUVGW-RDBSUJKOSA-N 1 0 361.833 2.375 20 30 FEEDRO C[N@@H+](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)C[C@@H]1CCC[C@@H]1O ZINC000159857081 545986188 /nfs/dbraw/zinc/98/61/88/545986188.db2.gz LJPLQPYLDRWESM-RDJZCZTQSA-N 1 0 368.399 2.266 20 30 FEEDRO C[C@H](NC(=O)CNc1ccc(C#N)cc1)C1([NH+]2CCOCC2)CCCC1 ZINC000478529946 561168942 /nfs/dbraw/zinc/16/89/42/561168942.db2.gz XSKUKLDTZPQDJP-INIZCTEOSA-N 1 0 356.470 2.120 20 30 FEEDRO COc1cccc(-c2cc(C(=O)N(CCC#N)CCC[NH+](C)C)[nH]n2)c1 ZINC000164958976 546152479 /nfs/dbraw/zinc/15/24/79/546152479.db2.gz YGYPDLOYKWWDFV-UHFFFAOYSA-N 1 0 355.442 2.393 20 30 FEEDRO N#Cc1ccccc1NC(=O)CC[NH+]1CCC(NC(=O)c2ccoc2)CC1 ZINC000166519256 546157516 /nfs/dbraw/zinc/15/75/16/546157516.db2.gz MDANYFWRTXSWNJ-UHFFFAOYSA-N 1 0 366.421 2.374 20 30 FEEDRO [NH2+]=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)Nc1ccccn1 ZINC000170905865 546181737 /nfs/dbraw/zinc/18/17/37/546181737.db2.gz VKRFJESKNHXOIJ-UHFFFAOYSA-N 1 0 373.482 2.183 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)NCc2cccc(Cn3ccnc3)c2)CC1 ZINC000171710084 546219572 /nfs/dbraw/zinc/21/95/72/546219572.db2.gz DRHFTASYSBLBKD-UHFFFAOYSA-N 1 0 353.470 2.381 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)c2ccc(Cl)c(NS(C)(=O)=O)c2)CC1 ZINC000171717304 546220578 /nfs/dbraw/zinc/22/05/78/546220578.db2.gz KUUWEMQLXWGGAH-UHFFFAOYSA-N 1 0 371.890 2.092 20 30 FEEDRO N#CCCN(CCC#N)C(=O)C[N@H+]1CCC[C@H]1C[C@@H](O)c1cccs1 ZINC000175851568 546361332 /nfs/dbraw/zinc/36/13/32/546361332.db2.gz BTENQAFJFZTROE-JKSUJKDBSA-N 1 0 360.483 2.292 20 30 FEEDRO C[C@H]1CCC[C@](CNC(=O)C(=O)Nc2ccc(F)cc2C#N)([NH+](C)C)C1 ZINC000175966498 546381727 /nfs/dbraw/zinc/38/17/27/546381727.db2.gz FBBRRKQIYHFBGT-DJJJIMSYSA-N 1 0 360.433 2.263 20 30 FEEDRO CC[NH+](CC)[C@@H](CNC(=O)C(=O)Nc1ccc(F)cc1C#N)c1ccco1 ZINC000175970965 546381835 /nfs/dbraw/zinc/38/18/35/546381835.db2.gz YWEDCXUFPJQIHH-INIZCTEOSA-N 1 0 372.400 2.428 20 30 FEEDRO N#Cc1cc(F)ccc1NC(=O)C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000176001630 546389210 /nfs/dbraw/zinc/38/92/10/546389210.db2.gz GWPLBQUTBQBPDT-MRXNPFEDSA-N 1 0 358.417 2.017 20 30 FEEDRO Cn1cc(CNc2ccccc2C[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1C#N ZINC000480295223 561206609 /nfs/dbraw/zinc/20/66/09/561206609.db2.gz QXVBYTTZRZCYAR-QGZVFWFLSA-N 1 0 351.454 2.206 20 30 FEEDRO Cc1nn(C)c2nc(C3CC3)cc(C(=O)N(CCC#N)CCC[NH+](C)C)c12 ZINC000176641190 546472134 /nfs/dbraw/zinc/47/21/34/546472134.db2.gz VHHRJNRTYDIPIY-UHFFFAOYSA-N 1 0 368.485 2.462 20 30 FEEDRO CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCC(OC[C@H]2CCCCO2)CC1 ZINC000177591479 546650237 /nfs/dbraw/zinc/65/02/37/546650237.db2.gz MLUBFLONHPFBMN-SJLPKXTDSA-N 1 0 351.491 2.045 20 30 FEEDRO COc1cc(OC)cc(N2CC[C@@H]([NH2+]Cc3ccc(C#N)cc3)C2=O)c1 ZINC000177711800 546672636 /nfs/dbraw/zinc/67/26/36/546672636.db2.gz STABSOZDWORJHV-LJQANCHMSA-N 1 0 351.406 2.471 20 30 FEEDRO C[C@H](CNS(=O)(=O)Cc1ccc(C#N)cc1F)C[NH+]1CCCCC1 ZINC000481051050 561223952 /nfs/dbraw/zinc/22/39/52/561223952.db2.gz BPHZWHMMMLQKQU-CQSZACIVSA-N 1 0 353.463 2.239 20 30 FEEDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C(=O)Nc2cccc(OCCCC#N)c2)C1 ZINC000178000867 546721173 /nfs/dbraw/zinc/72/11/73/546721173.db2.gz FNFLQEHUFWVABF-WBVHZDCISA-N 1 0 372.469 2.297 20 30 FEEDRO Cc1c(C#N)cccc1NC(=O)C(=O)NC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000178473972 546799757 /nfs/dbraw/zinc/79/97/57/546799757.db2.gz PLEGLVJFZPEQGK-HNNXBMFYSA-N 1 0 364.449 2.442 20 30 FEEDRO Cc1c(C#N)cccc1NC(=O)C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000178528577 546808665 /nfs/dbraw/zinc/80/86/65/546808665.db2.gz FWFBIICDPZAUNI-UHFFFAOYSA-N 1 0 354.454 2.282 20 30 FEEDRO C[N@@H+](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)C[C@H]1CCOC1 ZINC000178788013 546850430 /nfs/dbraw/zinc/85/04/30/546850430.db2.gz MCRVXMYHVNQMHS-OAHLLOKOSA-N 1 0 354.372 2.141 20 30 FEEDRO Cc1cccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)c1C#N ZINC000179474299 546960526 /nfs/dbraw/zinc/96/05/26/546960526.db2.gz SRJWFWJACUOABS-RTBURBONSA-N 1 0 362.433 2.367 20 30 FEEDRO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)cc1 ZINC000179508296 546968282 /nfs/dbraw/zinc/96/82/82/546968282.db2.gz JBPCNYVDLRBOIT-DLBZAZTESA-N 1 0 367.453 2.173 20 30 FEEDRO C#CCCOc1ccc(C[N@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)cc1 ZINC000179893162 547025756 /nfs/dbraw/zinc/02/57/56/547025756.db2.gz SQWPNDGBKAZUGP-LJQANCHMSA-N 1 0 356.466 2.160 20 30 FEEDRO C=CCNC(=O)CNC(=O)NC[C@@H](c1ccccc1Cl)[NH+](CC)CC ZINC000180182152 547064004 /nfs/dbraw/zinc/06/40/04/547064004.db2.gz GNHOBIZRQFCUHH-INIZCTEOSA-N 1 0 366.893 2.324 20 30 FEEDRO C=C(C)Cn1c(SCC(=O)N(C)CC[NH+](C)C)nnc1-c1ccco1 ZINC000482516807 561255461 /nfs/dbraw/zinc/25/54/61/561255461.db2.gz YXYHDLQTZDBOPY-UHFFFAOYSA-N 1 0 363.487 2.226 20 30 FEEDRO COc1ccc([C@H](CNS(=O)(=O)CC2(C#N)CC2)[NH+]2CCCC2)cc1 ZINC000180386127 547097864 /nfs/dbraw/zinc/09/78/64/547097864.db2.gz JLOOVDCEHUPNKM-KRWDZBQOSA-N 1 0 363.483 2.055 20 30 FEEDRO C=CCNC(=O)CNC(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000180396666 547100124 /nfs/dbraw/zinc/10/01/24/547100124.db2.gz MAZACCXJHXRBIC-INIZCTEOSA-N 1 0 358.486 2.020 20 30 FEEDRO C[N@H+](CCC(=O)Nc1sccc1C#N)[C@@H](CC(N)=O)c1ccccc1 ZINC000483097165 561267213 /nfs/dbraw/zinc/26/72/13/561267213.db2.gz GXQDZXCUBZNTTG-HNNXBMFYSA-N 1 0 356.451 2.497 20 30 FEEDRO COc1c[nH+]ccc1N1CCN([C@@H](C)C(=O)Nc2cccc(C#N)c2)CC1 ZINC000483193429 561269895 /nfs/dbraw/zinc/26/98/95/561269895.db2.gz IHTPFPBZGLGEEI-HNNXBMFYSA-N 1 0 365.437 2.111 20 30 FEEDRO CC#CCCNC(=O)N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000483430148 561277055 /nfs/dbraw/zinc/27/70/55/561277055.db2.gz VCSDEZUWCUJAJX-IBGZPJMESA-N 1 0 369.513 2.039 20 30 FEEDRO C[C@@H]([NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1cccc(C#N)c1 ZINC000181613462 547344103 /nfs/dbraw/zinc/34/41/03/547344103.db2.gz IEYZDFLLPXEJNN-CYBMUJFWSA-N 1 0 374.422 2.096 20 30 FEEDRO C[C@H]([NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cccc(C#N)c1 ZINC000181612365 547344659 /nfs/dbraw/zinc/34/46/59/547344659.db2.gz YBRQIFBTKJHWFJ-ZDUSSCGKSA-N 1 0 374.422 2.096 20 30 FEEDRO CC1(C)CN(CC[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CCO1 ZINC000181701708 547364015 /nfs/dbraw/zinc/36/40/15/547364015.db2.gz ZBWGHGALPAAVPC-UHFFFAOYSA-N 1 0 356.514 2.223 20 30 FEEDRO CC(C)[C@H](CNC(=O)C(=O)Nc1ccccc1O[C@@H](C)C#N)[NH+]1CCCC1 ZINC000181737353 547370202 /nfs/dbraw/zinc/37/02/02/547370202.db2.gz XOAUGTNUVVLEPT-RDJZCZTQSA-N 1 0 372.469 2.153 20 30 FEEDRO C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000181740643 547372091 /nfs/dbraw/zinc/37/20/91/547372091.db2.gz WLRLPZUHDRWAQP-HNNXBMFYSA-N 1 0 372.469 2.106 20 30 FEEDRO C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+][C@H](C)c1cccc(S(=O)(=O)NC)c1 ZINC000181938867 547409424 /nfs/dbraw/zinc/40/94/24/547409424.db2.gz MDPYIQRUIRGENF-HUUCEWRRSA-N 1 0 367.515 2.058 20 30 FEEDRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]CCOc2cccc(C#N)c2)c1 ZINC000181944291 547411689 /nfs/dbraw/zinc/41/16/89/547411689.db2.gz ZVUDABGCBQPGHU-CQSZACIVSA-N 1 0 359.451 2.196 20 30 FEEDRO C[C@@H](C[NH+]1CCCCCC1)NC(=O)N1CCN(c2cc(C#N)ccn2)CC1 ZINC000483634277 561281063 /nfs/dbraw/zinc/28/10/63/561281063.db2.gz HESUWQXUUFFIAT-KRWDZBQOSA-N 1 0 370.501 2.049 20 30 FEEDRO Cc1nc(C#N)c(N2CCN(C(=O)C[NH2+][C@@H](C)C3CCCCC3)CC2)o1 ZINC000182707741 547537594 /nfs/dbraw/zinc/53/75/94/547537594.db2.gz LJEVFOQLXJUVDQ-AWEZNQCLSA-N 1 0 359.474 2.062 20 30 FEEDRO N#C[C@@H](c1cccs1)N1CCN(C(=O)C[N@@H+]2CCC3(CCC3)C2)CC1 ZINC000182851470 547562061 /nfs/dbraw/zinc/56/20/61/547562061.db2.gz VVPCZNVMFASSLR-INIZCTEOSA-N 1 0 358.511 2.333 20 30 FEEDRO CC(=O)NC[C@H]1CCC[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000183249842 547626855 /nfs/dbraw/zinc/62/68/55/547626855.db2.gz AGNRHMWCVFAVDN-QGZVFWFLSA-N 1 0 351.454 2.307 20 30 FEEDRO C=CC[C@H](CO)NC(=O)NC[C@H](c1ccccc1OC)[NH+]1CCCCC1 ZINC000183532043 547676544 /nfs/dbraw/zinc/67/65/44/547676544.db2.gz PYJVLWVALHGKQH-SJLPKXTDSA-N 1 0 361.486 2.458 20 30 FEEDRO CO/N=C/c1ccc(C(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000183783538 547718835 /nfs/dbraw/zinc/71/88/35/547718835.db2.gz QTHKXLDENVRYEU-QOOAHNBZSA-N 1 0 367.449 2.164 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N2CCC[C@@H](CC(=O)OC(C)C)C2)CC1 ZINC000184119878 547772225 /nfs/dbraw/zinc/77/22/25/547772225.db2.gz UERSHOQGAZPQOJ-INIZCTEOSA-N 1 0 351.491 2.400 20 30 FEEDRO CC(C)(C#N)CNC(=O)NCCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000484791895 561306198 /nfs/dbraw/zinc/30/61/98/561306198.db2.gz ZIJXRCJVCPQRCT-UHFFFAOYSA-N 1 0 371.529 2.433 20 30 FEEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1 ZINC000184213908 547787631 /nfs/dbraw/zinc/78/76/31/547787631.db2.gz JJGOHBHTMLFFIW-INIZCTEOSA-N 1 0 373.501 2.493 20 30 FEEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)N[C@H](C)CC[NH+]1CCN(C)CC1 ZINC000184213924 547787734 /nfs/dbraw/zinc/78/77/34/547787734.db2.gz JJGOHBHTMLFFIW-MRXNPFEDSA-N 1 0 373.501 2.493 20 30 FEEDRO N#Cc1ccc(Cl)c(NC(=O)C(=O)NC2CC([NH+]3CCCCC3)C2)c1 ZINC000484987445 561309867 /nfs/dbraw/zinc/30/98/67/561309867.db2.gz MPWKABUBVUEHFO-UHFFFAOYSA-N 1 0 360.845 2.283 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)Nc2ccc(C)c(-c3nnnn3C3CC3)c2)CC1 ZINC000184608757 547853233 /nfs/dbraw/zinc/85/32/33/547853233.db2.gz FXJUJJRQNKYHQM-UHFFFAOYSA-N 1 0 364.453 2.267 20 30 FEEDRO C[NH+](C)[C@H](CNC(=O)CN(CCC#N)Cc1ccccn1)c1ccccc1 ZINC000184978737 547911229 /nfs/dbraw/zinc/91/12/29/547911229.db2.gz KGTKGLUTGDEPMX-HXUWFJFHSA-N 1 0 365.481 2.216 20 30 FEEDRO COc1cc(C#N)ccc1S(=O)(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000185444345 547985252 /nfs/dbraw/zinc/98/52/52/547985252.db2.gz UBSVLIATGKNJBW-UHFFFAOYSA-N 1 0 351.472 2.110 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)NC[C@@](C)(C(=O)OC)c2ccccc2)CC1 ZINC000189687452 548308192 /nfs/dbraw/zinc/30/81/92/548308192.db2.gz SAFKJUNUAIYADC-HXUWFJFHSA-N 1 0 359.470 2.067 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cccc3ccn(C)c32)CC1 ZINC000190509972 548326170 /nfs/dbraw/zinc/32/61/70/548326170.db2.gz KMLFHOVDHVNERN-UHFFFAOYSA-N 1 0 354.454 2.274 20 30 FEEDRO CC#CCNC(=O)C(=O)Nc1ccc2c(ccn2CC[NH+](CC)CC)c1 ZINC000190520670 548327670 /nfs/dbraw/zinc/32/76/70/548327670.db2.gz VEECFAHBJKKJSF-UHFFFAOYSA-N 1 0 354.454 2.061 20 30 FEEDRO C=C(C)COCCNC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000190582271 548329212 /nfs/dbraw/zinc/32/92/12/548329212.db2.gz PFCKQPVHLRBOCO-IBGZPJMESA-N 1 0 361.486 2.169 20 30 FEEDRO C#CCOc1ccc(C[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 ZINC000192243278 548361682 /nfs/dbraw/zinc/36/16/82/548361682.db2.gz XQZXLUAMAKEMHL-NRFANRHFSA-N 1 0 359.429 2.461 20 30 FEEDRO C[C@@H]1CCNC(=O)[C@H]1[NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000193630441 548391228 /nfs/dbraw/zinc/39/12/28/548391228.db2.gz DRTNHWPZSMSBCX-PXAZEXFGSA-N 1 0 374.510 2.331 20 30 FEEDRO C[C@H]([NH2+]CCc1ccc(S(N)(=O)=O)cc1)c1ccc(OCC#N)cc1 ZINC000194454410 548484855 /nfs/dbraw/zinc/48/48/55/548484855.db2.gz HXDNOOUDZPTSML-AWEZNQCLSA-N 1 0 359.451 2.130 20 30 FEEDRO C[S@@](=O)c1ccc(C[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 ZINC000486905870 561359339 /nfs/dbraw/zinc/35/93/39/561359339.db2.gz RTDJCZFSHZJNID-AFMDSPMNSA-N 1 0 367.474 2.186 20 30 FEEDRO CCOC(=O)CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)c1ccc(C#N)c(C)n1 ZINC000195185282 548592531 /nfs/dbraw/zinc/59/25/31/548592531.db2.gz VSGUZOMXDHSYDX-KRWDZBQOSA-N 1 0 372.469 2.141 20 30 FEEDRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC000487572514 561372092 /nfs/dbraw/zinc/37/20/92/561372092.db2.gz LKDDXMMEEFTEOJ-ZTFGCOKTSA-N 1 0 360.889 2.247 20 30 FEEDRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000487572510 561372206 /nfs/dbraw/zinc/37/22/06/561372206.db2.gz LKDDXMMEEFTEOJ-JLSDUUJJSA-N 1 0 360.889 2.247 20 30 FEEDRO C=CCCC[C@H](C)NC(=O)C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000487812770 561376298 /nfs/dbraw/zinc/37/62/98/561376298.db2.gz BWJXIFVKNRZHRI-INIZCTEOSA-N 1 0 357.498 2.063 20 30 FEEDRO N#Cc1ccc(OC[C@H](O)CN2CCO[C@@]3(CCc4ccccc43)C2)cc1 ZINC000245507680 548935659 /nfs/dbraw/zinc/93/56/59/548935659.db2.gz IHAYAKFLONBRHD-KNQAVFIVSA-N 1 0 364.445 2.472 20 30 FEEDRO N#Cc1ccc(N2CCC[C@@H]([N@@H+]3CCC[C@@H](Cn4ccnn4)C3)C2=O)cc1 ZINC000245536574 548940933 /nfs/dbraw/zinc/94/09/33/548940933.db2.gz XIRKPYFFIJUZCK-IEBWSBKVSA-N 1 0 364.453 2.057 20 30 FEEDRO N#Cc1ccc(OC[C@H](O)C[N@H+](C[C@H]2CCCO2)[C@@H]2CCSC2)cc1 ZINC000245587485 548952353 /nfs/dbraw/zinc/95/23/53/548952353.db2.gz FEECUTYPPJRFDG-ZHALLVOQSA-N 1 0 362.495 2.284 20 30 FEEDRO C=CCCC[C@H](C)NC(=O)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000488146884 561384480 /nfs/dbraw/zinc/38/44/80/561384480.db2.gz PAIYTZHPRCZJBB-YSIASYRMSA-N 1 0 369.509 2.438 20 30 FEEDRO N#Cc1cc(F)ccc1NC(=O)NC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000245928975 549022025 /nfs/dbraw/zinc/02/20/25/549022025.db2.gz UOLZRHJXRJVEAB-ZWKOTPCHSA-N 1 0 368.412 2.454 20 30 FEEDRO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCO[C@@H]2CC[C@H](OC)C[C@H]21 ZINC000246061675 549044661 /nfs/dbraw/zinc/04/46/61/549044661.db2.gz BICWYGZHMJSKNT-RCLSDMTESA-N 1 0 361.482 2.423 20 30 FEEDRO CN(C[C@@H](O)c1ccc(C#N)cc1)[C@H]1CCN(c2ccccc2F)C1=O ZINC000246101585 549052655 /nfs/dbraw/zinc/05/26/55/549052655.db2.gz WLDFNFNGGCAGQA-RBUKOAKNSA-N 1 0 353.397 2.468 20 30 FEEDRO CCN(C[C@H]1CC[N@H+](CC(=O)N[C@](C)(C#N)C2CC2)C1)CC(F)(F)F ZINC000246285171 549097277 /nfs/dbraw/zinc/09/72/77/549097277.db2.gz XFLBQNIYVHRDDS-CZUORRHYSA-N 1 0 360.424 2.001 20 30 FEEDRO Cc1oc(NC(=O)[C@@H](C)N2CCC([N@@H+]3CCO[C@@H](C)C3)CC2)c(C#N)c1C ZINC000246292640 549098509 /nfs/dbraw/zinc/09/85/09/549098509.db2.gz VGYVLUZKIZCVOE-DZGCQCFKSA-N 1 0 374.485 2.280 20 30 FEEDRO C=CCn1cccc1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000488824687 561397728 /nfs/dbraw/zinc/39/77/28/561397728.db2.gz ZKRVRUBFWVDDKQ-RTBURBONSA-N 1 0 353.466 2.287 20 30 FEEDRO CCOC(=O)CC[C@H]1CCC[N@H+](C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000246894623 549237228 /nfs/dbraw/zinc/23/72/28/549237228.db2.gz XKDRBOOFQADAJP-QZTJIDSGSA-N 1 0 360.454 2.353 20 30 FEEDRO Cc1ncc(S(=O)(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)cc1C#N ZINC000489111951 561403580 /nfs/dbraw/zinc/40/35/80/561403580.db2.gz BSOYXQYXUWTOHL-KRWDZBQOSA-N 1 0 350.488 2.051 20 30 FEEDRO C[C@H](C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000248988357 549536595 /nfs/dbraw/zinc/53/65/95/549536595.db2.gz GSYFQKHWYPMIJD-OLMMMNRUSA-N 1 0 368.481 2.037 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCO[C@@]2(CCOC2)C1 ZINC000249029162 549540076 /nfs/dbraw/zinc/54/00/76/549540076.db2.gz SFDFNXAINTVZBF-YJBOKZPZSA-N 1 0 350.484 2.143 20 30 FEEDRO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000249042543 549541226 /nfs/dbraw/zinc/54/12/26/549541226.db2.gz NJQFIVQQADGITH-NJAPINKUSA-N 1 0 351.397 2.393 20 30 FEEDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)C1 ZINC000249117917 549555423 /nfs/dbraw/zinc/55/54/23/549555423.db2.gz BMPSOCAVYGNRLA-LRDDRELGSA-N 1 0 360.845 2.093 20 30 FEEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cc(C#N)ccc2Cl)[C@@H](C)C1 ZINC000249154248 549561116 /nfs/dbraw/zinc/56/11/16/549561116.db2.gz HYXXLLXIRSJCMC-BLLLJJGKSA-N 1 0 362.861 2.339 20 30 FEEDRO COCCO[C@@H]1CC[N@@H+]([C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1 ZINC000249363072 549583227 /nfs/dbraw/zinc/58/32/27/549583227.db2.gz LZYRYQFDOCYBPO-VZDIDWBNSA-N 1 0 351.491 2.043 20 30 FEEDRO C[NH+]=C(NCc1cc(N(C)C)nc2ccccc12)N(C)C[C@@H]1CCOC1 ZINC000261601637 549733244 /nfs/dbraw/zinc/73/32/44/549733244.db2.gz BUUJKIREBWOFFS-HNNXBMFYSA-N 1 0 355.486 2.345 20 30 FEEDRO C[NH+]=C(NCCSc1ccccc1)N1CCO[C@H](c2cnn(C)c2)C1 ZINC000261726408 549747635 /nfs/dbraw/zinc/74/76/35/549747635.db2.gz IXJMFGCSSDLGBQ-KRWDZBQOSA-N 1 0 359.499 2.161 20 30 FEEDRO C[NH+]=C(NCCSc1ccccc1)N1CCO[C@@H](c2cnn(C)c2)C1 ZINC000261726409 549747818 /nfs/dbraw/zinc/74/78/18/549747818.db2.gz IXJMFGCSSDLGBQ-QGZVFWFLSA-N 1 0 359.499 2.161 20 30 FEEDRO C=CCOc1cccc(C[NH+]2CCC(c3nnc4n3CCNC4)CC2)c1 ZINC000261781351 549755075 /nfs/dbraw/zinc/75/50/75/549755075.db2.gz QCJPJUOGRUIOBM-UHFFFAOYSA-N 1 0 353.470 2.326 20 30 FEEDRO CC[NH+]=C(NCc1ncc(C(C)(C)C)o1)N1CCO[C@@H](c2cnn(C)c2)C1 ZINC000261846439 549762681 /nfs/dbraw/zinc/76/26/81/549762681.db2.gz XHOMEWRGMPGRPX-OAHLLOKOSA-N 1 0 374.489 2.245 20 30 FEEDRO C[NH+]=C(N[C@@H]1[C@H]2CCO[C@@H]2C1(C)C)N[C@@H]1CCN(c2ccccc2OC)C1 ZINC000261954228 549773749 /nfs/dbraw/zinc/77/37/49/549773749.db2.gz IGAWNARLMXIZBN-RGCFKVTRSA-N 1 0 372.513 2.252 20 30 FEEDRO C[NH+]=C(NCC(=O)NC1CC1)N[C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000261976576 549776278 /nfs/dbraw/zinc/77/62/78/549776278.db2.gz NTWZWDOLZMZMKT-MRXNPFEDSA-N 1 0 356.470 2.267 20 30 FEEDRO CC[NH+]=C(NCc1ccc(S(C)(=O)=O)cc1)N1CCS[C@@H](CC)C1 ZINC000262013665 549779447 /nfs/dbraw/zinc/77/94/47/549779447.db2.gz VIHFEFXFTLRLAM-HNNXBMFYSA-N 1 0 369.556 2.383 20 30 FEEDRO CC[NH+]=C(NCc1cn2c(n1)CCCC2)N1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000262019202 549780763 /nfs/dbraw/zinc/78/07/63/549780763.db2.gz YKXNLEIFIGIBEE-FUHWJXTLSA-N 1 0 369.517 2.465 20 30 FEEDRO C[C@H](NC(NC[C@@H]1CCS(=O)(=O)C1)=[NH+]C1CC1)c1ccc(F)c(F)c1 ZINC000262281574 549806097 /nfs/dbraw/zinc/80/60/97/549806097.db2.gz WQAGJAXUYBZHKG-RYUDHWBXSA-N 1 0 371.453 2.158 20 30 FEEDRO CN(C)C(=O)C[NH+]=C(NCc1cccs1)N[C@H]1CCOc2ccccc21 ZINC000262282868 549806250 /nfs/dbraw/zinc/80/62/50/549806250.db2.gz XCJLLHRPVSFGRV-INIZCTEOSA-N 1 0 372.494 2.395 20 30 FEEDRO Cc1c(CNC(NCC(=O)N(C)C)=[NH+]C2CCOCC2)oc2ccccc12 ZINC000262322341 549810625 /nfs/dbraw/zinc/81/06/25/549810625.db2.gz SFXMNGVDMHCGSA-UHFFFAOYSA-N 1 0 372.469 2.044 20 30 FEEDRO C[NH+]=C(NCc1ccc(F)cc1C(F)(F)F)NC[C@@]1(O)CCSC1 ZINC000262369365 549814803 /nfs/dbraw/zinc/81/48/03/549814803.db2.gz IHGCALMGKXDBKZ-AWEZNQCLSA-N 1 0 365.396 2.378 20 30 FEEDRO C[C@H](NC(NC[C@@H]1CCS(=O)(=O)C1)=[NH+][C@H]1C[C@H]1C)c1cccs1 ZINC000262443577 549820164 /nfs/dbraw/zinc/82/01/64/549820164.db2.gz UZYRUIUEFVDFRP-RFGFWPKPSA-N 1 0 355.529 2.187 20 30 FEEDRO C[NH+]=C(NC[C@H]1CCS(=O)(=O)C1)N1CCc2cc(C(C)(C)C)ccc21 ZINC000262461414 549821553 /nfs/dbraw/zinc/82/15/53/549821553.db2.gz XQJNBUKRTHEFHK-CQSZACIVSA-N 1 0 363.527 2.357 20 30 FEEDRO CNS(=O)(=O)c1cccc(CNC(=[NH2+])Nc2cccc3c2CCCC3)c1 ZINC000262493019 549824253 /nfs/dbraw/zinc/82/42/53/549824253.db2.gz VNHJHSCGJAOHHI-UHFFFAOYSA-N 1 0 372.494 2.400 20 30 FEEDRO CN(Cc1ccc(Cl)cc1)C(NC[C@@H]1CCS(=O)(=O)C1)=[NH+]C1CC1 ZINC000262525382 549826264 /nfs/dbraw/zinc/82/62/64/549826264.db2.gz GHAQEOCXEDCRTL-AWEZNQCLSA-N 1 0 369.918 2.315 20 30 FEEDRO C[NH+]=C(NCc1sc(C)nc1C)N[C@H]1CCC[C@@H](C(=O)N(C)C)C1 ZINC000262612705 549832102 /nfs/dbraw/zinc/83/21/02/549832102.db2.gz AZFZVPBOHJXHNV-KGLIPLIRSA-N 1 0 351.520 2.072 20 30 FEEDRO C[C@@H](CNC(=O)C(=O)Nc1ccc(C#N)cc1Cl)C[NH+]1CCCCC1 ZINC000490382363 561432173 /nfs/dbraw/zinc/43/21/73/561432173.db2.gz WYEOHLDWBACYCN-ZDUSSCGKSA-N 1 0 362.861 2.388 20 30 FEEDRO C[C@H]1C[NH+]=C(NC[C@@H](c2ccc(C(F)(F)F)cc2)N2CCOCC2)N1 ZINC000262665783 549836965 /nfs/dbraw/zinc/83/69/65/549836965.db2.gz OPDQMZWNKHMXDO-WFASDCNBSA-N 1 0 356.392 2.016 20 30 FEEDRO C[NH+]=C(NCc1nnc2c(Cl)cc(C(F)(F)F)cn12)N[C@H]1C[C@H]1C ZINC000262813551 549852235 /nfs/dbraw/zinc/85/22/35/549852235.db2.gz OLWRXJJUIJNGOV-XCBNKYQSSA-N 1 0 360.771 2.475 20 30 FEEDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000490729035 561437924 /nfs/dbraw/zinc/43/79/24/561437924.db2.gz KLCIDHZEKOQLSP-NVXWUHKLSA-N 1 0 359.474 2.236 20 30 FEEDRO C=C(C)COc1cccc(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000263875607 549949756 /nfs/dbraw/zinc/94/97/56/549949756.db2.gz NHOWUDISIOVTLQ-ROUUACIJSA-N 1 0 357.454 2.323 20 30 FEEDRO CCOC(=O)N1CCC(NC(=[NH2+])NCCc2cc(C)ccc2OC)CC1 ZINC000264070819 549975476 /nfs/dbraw/zinc/97/54/76/549975476.db2.gz GATMALIYBJTOOY-UHFFFAOYSA-N 1 0 362.474 2.071 20 30 FEEDRO C[NH+]=C(NCc1ccco1)NCc1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC000264102799 549979646 /nfs/dbraw/zinc/97/96/46/549979646.db2.gz ZEWLZAHIIJBCFF-KRWDZBQOSA-N 1 0 356.426 2.262 20 30 FEEDRO CCc1cccc(CC)c1NC(=[NH2+])NCC1CCN(S(C)(=O)=O)CC1 ZINC000264131956 549982512 /nfs/dbraw/zinc/98/25/12/549982512.db2.gz YFMRHODMWSMOOH-UHFFFAOYSA-N 1 0 366.531 2.210 20 30 FEEDRO CCNC(=O)c1ccc(CNC(=[NH2+])Nc2ccc(OC)c(OC)c2)cc1 ZINC000264131970 549982550 /nfs/dbraw/zinc/98/25/50/549982550.db2.gz UEXGFTAOGSKZAS-UHFFFAOYSA-N 1 0 356.426 2.380 20 30 FEEDRO Cc1ncc(CO)c(/C=N/CCc2ccc(OCC[NH+](C)C)cc2)c1O ZINC000264195294 549991119 /nfs/dbraw/zinc/99/11/19/549991119.db2.gz PSNWDAMWJUITMN-FYJGNVAPSA-N 1 0 357.454 2.190 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)NCC1CCN(C(C)=O)CC1)C(C)C ZINC000264222113 549993100 /nfs/dbraw/zinc/99/31/00/549993100.db2.gz CGXKSEHGZWDCJS-LJQANCHMSA-N 1 0 364.534 2.243 20 30 FEEDRO COc1ccc(CCNC(=[NH2+])NCCCc2nnc3n2CCCCC3)cc1 ZINC000264271106 549993789 /nfs/dbraw/zinc/99/37/89/549993789.db2.gz LTIPPUPRCZURIF-UHFFFAOYSA-N 1 0 370.501 2.093 20 30 FEEDRO COC[C@H](C)NC(=[NH2+])NCCC(=O)Nc1cc(Br)ccc1C ZINC000264308361 549993797 /nfs/dbraw/zinc/99/37/97/549993797.db2.gz UJDFFZXDJVVFKP-NSHDSACASA-N 1 0 371.279 2.025 20 30 FEEDRO COc1ccc([C@H](CNC(=O)CN(CC#N)C2CC2)[NH+]2CCCCC2)cc1 ZINC000264281150 549994014 /nfs/dbraw/zinc/99/40/14/549994014.db2.gz OSBAFIIPNFTSTJ-FQEVSTJZSA-N 1 0 370.497 2.326 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N(Cc2ccc(C(N)=O)cc2)C2CC2)CC1 ZINC000264424119 549996077 /nfs/dbraw/zinc/99/60/77/549996077.db2.gz RSKHYLQHVKCRNU-UHFFFAOYSA-N 1 0 356.470 2.110 20 30 FEEDRO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)C2(C#N)CCOCC2)cc1 ZINC000264547903 549998075 /nfs/dbraw/zinc/99/80/75/549998075.db2.gz WAPIADXOIUFOOK-UHFFFAOYSA-N 1 0 372.469 2.017 20 30 FEEDRO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N1CCC[C@H]([NH+](C)C)C1 ZINC000264656392 549999768 /nfs/dbraw/zinc/99/97/68/549999768.db2.gz ZPDUNOKCMCEDFJ-SJORKVTESA-N 1 0 358.486 2.356 20 30 FEEDRO C[C@@H]1SCCN(CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)[C@H]1C ZINC000265534069 550011647 /nfs/dbraw/zinc/01/16/47/550011647.db2.gz QCNUYYNWKFWHJJ-OBJOEFQTSA-N 1 0 356.451 2.337 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N[C@H]2CCCN(c3ccccc3Cl)C2=O)CC1 ZINC000265902847 550015069 /nfs/dbraw/zinc/01/50/69/550015069.db2.gz DGXAUKTTXGQAEE-KRWDZBQOSA-N 1 0 373.884 2.297 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)c2cc(NC(C)=O)c(OC)c(OC)c2)CC1 ZINC000266351740 550019488 /nfs/dbraw/zinc/01/94/88/550019488.db2.gz NSPJLOUUOGCDJM-UHFFFAOYSA-N 1 0 361.442 2.042 20 30 FEEDRO C#CCOc1cccc(NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)c1 ZINC000266871368 550025295 /nfs/dbraw/zinc/02/52/95/550025295.db2.gz NAUVWRSGCCAUFD-MSOLQXFVSA-N 1 0 369.465 2.111 20 30 FEEDRO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCC[C@H](CC(N)=O)C1 ZINC000266925901 550025613 /nfs/dbraw/zinc/02/56/13/550025613.db2.gz KAFHQEKRDXAENB-HUUCEWRRSA-N 1 0 360.433 2.048 20 30 FEEDRO CCOC(=O)N1CCC(NC(=[NH2+])NC[C@@H](C)Cc2cccs2)CC1 ZINC000267421269 550030928 /nfs/dbraw/zinc/03/09/28/550030928.db2.gz KMDMZGUJZUIONX-ZDUSSCGKSA-N 1 0 352.504 2.452 20 30 FEEDRO C=CCN(CC=C)C(=O)CN(C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000267423017 550031016 /nfs/dbraw/zinc/03/10/16/550031016.db2.gz WVIKHBOFICZECM-UHFFFAOYSA-N 1 0 356.514 2.221 20 30 FEEDRO COc1ccc(CCNC(=[NH2+])NC[C@@](C)(O)c2ccccc2)cc1OC ZINC000267450430 550031597 /nfs/dbraw/zinc/03/15/97/550031597.db2.gz RGADJGSYRIWEBH-HXUWFJFHSA-N 1 0 357.454 2.058 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1ccc(CN2CCOC2=O)cc1 ZINC000267955207 550035942 /nfs/dbraw/zinc/03/59/42/550035942.db2.gz VDOJKRASWRDESF-UHFFFAOYSA-N 1 0 373.457 2.338 20 30 FEEDRO CN(C)C(=O)CC[NH+]1CCN(c2ccc(C#N)c(C(F)(F)F)c2)CC1 ZINC000268419735 550062916 /nfs/dbraw/zinc/06/29/16/550062916.db2.gz WYPUQMZVXYVVNH-UHFFFAOYSA-N 1 0 354.376 2.177 20 30 FEEDRO COc1ccc(CCNC(=[NH2+])NCCc2nc(C)c(C)s2)cc1OC ZINC000268600981 550092776 /nfs/dbraw/zinc/09/27/76/550092776.db2.gz PCAGCIWYTRHMFG-UHFFFAOYSA-N 1 0 362.499 2.467 20 30 FEEDRO C=CCc1ccc(OC[C@H](O)C[N@H+](CCO)Cc2cccnc2)c(OC)c1 ZINC000268689842 550104389 /nfs/dbraw/zinc/10/43/89/550104389.db2.gz ORXMZTWJMGRUGF-LJQANCHMSA-N 1 0 372.465 2.053 20 30 FEEDRO N#Cc1ccc(/C=C/C(=O)NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000269587127 550208670 /nfs/dbraw/zinc/20/86/70/550208670.db2.gz XJGPQKDZWHFYKC-LCCNJJIFSA-N 1 0 361.445 2.107 20 30 FEEDRO CCOCCC[NH+]=C(NCc1cnn(C)c1C)NCc1ccc(OC)cc1 ZINC000270391048 550268127 /nfs/dbraw/zinc/26/81/27/550268127.db2.gz CEKLBUVHNJXZQU-UHFFFAOYSA-N 1 0 373.501 2.399 20 30 FEEDRO Cc1cc(C#N)ccc1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000270852720 550314270 /nfs/dbraw/zinc/31/42/70/550314270.db2.gz MCJOXIJFUFOJTF-PZJWPPBQSA-N 1 0 363.461 2.480 20 30 FEEDRO C=CCc1cc(C[N@H+](C)C[C@H](O)COCCOC(C)C)cc(OC)c1O ZINC000271126366 550342834 /nfs/dbraw/zinc/34/28/34/550342834.db2.gz HJDPEILUKJHAFJ-SFHVURJKSA-N 1 0 367.486 2.364 20 30 FEEDRO CC[NH+]1CCN(CCCNC(=O)[C@@H](Oc2ccccc2C#N)C(C)C)CC1 ZINC000494151088 561463554 /nfs/dbraw/zinc/46/35/54/561463554.db2.gz XWSZYMKCCBLABK-FQEVSTJZSA-N 1 0 372.513 2.105 20 30 FEEDRO CCOC(=O)[C@@H]1CCCN(C(=O)[C@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2)C1 ZINC000271694919 550395409 /nfs/dbraw/zinc/39/54/09/550395409.db2.gz SGUAZWNORCMETN-RVKKMQEKSA-N 1 0 357.454 2.399 20 30 FEEDRO COc1cccc([C@@H](C)[NH2+]CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)c1 ZINC000271708424 550396429 /nfs/dbraw/zinc/39/64/29/550396429.db2.gz UPGMWZFRMNQYMG-APWZRJJASA-N 1 0 358.486 2.038 20 30 FEEDRO CNC(=O)C1CCC([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CC1 ZINC000271820526 550404236 /nfs/dbraw/zinc/40/42/36/550404236.db2.gz CDQKZQSXINEZTG-UHFFFAOYSA-N 1 0 354.498 2.417 20 30 FEEDRO C=C(C)[C@H]1OCC[C@H]1C(=O)NCCC[N@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000494315977 561467026 /nfs/dbraw/zinc/46/70/26/561467026.db2.gz SVWNBJSNQLGNKG-QHAWAJNXSA-N 1 0 371.525 2.463 20 30 FEEDRO C[C@H](C#N)Oc1ccccc1NC(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000272662721 550463881 /nfs/dbraw/zinc/46/38/81/550463881.db2.gz IBDFNBMYHYRDLV-JLSDUUJJSA-N 1 0 372.469 2.477 20 30 FEEDRO COc1cc(C#N)ccc1OCCCC(=O)N[C@H](C)C1=CC[N@H+](C)CC1 ZINC000272672098 550464094 /nfs/dbraw/zinc/46/40/94/550464094.db2.gz JFYWASIIKVXNQM-OAHLLOKOSA-N 1 0 357.454 2.492 20 30 FEEDRO C=CCS(=O)(=O)CCNC(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000272856442 550473523 /nfs/dbraw/zinc/47/35/23/550473523.db2.gz OWALUQZHDALFPF-HNNXBMFYSA-N 1 0 367.515 2.016 20 30 FEEDRO C[C@H](NC(=O)C(=O)Nc1ccc(C#N)cc1F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000272937467 550477471 /nfs/dbraw/zinc/47/74/71/550477471.db2.gz NJYDDOZEVXERSL-DZGCQCFKSA-N 1 0 372.444 2.405 20 30 FEEDRO COCCOc1ccc(C#N)cc1NC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000273072517 550483710 /nfs/dbraw/zinc/48/37/10/550483710.db2.gz AFUKHNABMQHALL-NVXWUHKLSA-N 1 0 358.442 2.332 20 30 FEEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCC(=O)N[C@](C)(C#N)C1CC1 ZINC000274838556 550558503 /nfs/dbraw/zinc/55/85/03/550558503.db2.gz NWUDVWGYZKWGMH-OZOXKJRCSA-N 1 0 354.498 2.295 20 30 FEEDRO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+](C)Cc1ccc(OCC(=O)OC)cc1 ZINC000274889734 550562889 /nfs/dbraw/zinc/56/28/89/550562889.db2.gz PLANZEAVAJBCJS-MRXNPFEDSA-N 1 0 360.454 2.259 20 30 FEEDRO C=CCOc1cccc(NC(=O)C(=O)NCC(C)(C)C[NH+]2CCCC2)c1 ZINC000276825818 550600252 /nfs/dbraw/zinc/60/02/52/550600252.db2.gz VUDBFGWXJZNMSN-UHFFFAOYSA-N 1 0 359.470 2.428 20 30 FEEDRO C[C@@H]1COCC[C@@H]1[NH2+]CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000277557205 550684297 /nfs/dbraw/zinc/68/42/97/550684297.db2.gz TXMPHWIEXBCROI-CJNGLKHVSA-N 1 0 354.372 2.188 20 30 FEEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)C2CCN(c3oc(C)nc3C#N)CC2)[C@@H](C)C1 ZINC000277814431 550717283 /nfs/dbraw/zinc/71/72/83/550717283.db2.gz WNTASDPZDVKNIR-KSSFIOAISA-N 1 0 373.501 2.260 20 30 FEEDRO CC(C)Oc1ccc(NC(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@@H]2C)cc1C#N ZINC000278562778 550799365 /nfs/dbraw/zinc/79/93/65/550799365.db2.gz MRWFDTYFQXWKIF-LSDHHAIUSA-N 1 0 360.458 2.264 20 30 FEEDRO C#CCn1ccc(CN(CC)C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)n1 ZINC000279498724 550896814 /nfs/dbraw/zinc/89/68/14/550896814.db2.gz NUWBQBHENUSNCB-FQEVSTJZSA-N 1 0 367.497 2.221 20 30 FEEDRO Cn1nccc1CN1C[C@@H](F)C[C@H]1C[N@H+](C)CCOc1ccc(C#N)cc1 ZINC000279718912 550920864 /nfs/dbraw/zinc/92/08/64/550920864.db2.gz MEZACQPCHUDAJH-HKUYNNGSSA-N 1 0 371.460 2.215 20 30 FEEDRO NC(=[NH+]OCCCC1CCOCC1)c1ccc(N2CCC(O)CC2)cc1 ZINC000279762359 550926375 /nfs/dbraw/zinc/92/63/75/550926375.db2.gz MIFCJQMIMWFWJA-UHFFFAOYSA-N 1 0 361.486 2.491 20 30 FEEDRO CCOC(=O)N1CCC(NC(=[NH2+])NCCCc2ccccc2F)CC1 ZINC000279958055 550947033 /nfs/dbraw/zinc/94/70/33/550947033.db2.gz BVGMKSDKWSSURY-UHFFFAOYSA-N 1 0 350.438 2.284 20 30 FEEDRO C=CC[C@H](CO)[NH2+][C@@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000280090095 550960000 /nfs/dbraw/zinc/96/00/00/550960000.db2.gz MJHLRXLOWODIKP-DTWKUNHWSA-N 1 0 353.271 2.228 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N2CCC(O)(Cc3cccc(C)c3)CC2)CC1 ZINC000280372683 550986484 /nfs/dbraw/zinc/98/64/84/550986484.db2.gz ZASLPVNLLDIXSI-UHFFFAOYSA-N 1 0 354.494 2.236 20 30 FEEDRO Cc1cc(C)cc(N(CCC#N)C(=O)CN2CCO[C@@]3(CCO[C@H]3C)C2)c1 ZINC000280532287 551004746 /nfs/dbraw/zinc/00/47/46/551004746.db2.gz SLZBSQPLFITYJZ-RXVVDRJESA-N 1 0 371.481 2.430 20 30 FEEDRO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CC[C@@H](C(=O)N(C)c2ccccc2)C1 ZINC000280658385 551018528 /nfs/dbraw/zinc/01/85/28/551018528.db2.gz DRRLBNPDKPUDDK-OXQOHEQNSA-N 1 0 356.470 2.026 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC000281449440 551098827 /nfs/dbraw/zinc/09/88/27/551098827.db2.gz UPRUSTRUPYLLRR-LZWOXQAQSA-N 1 0 363.483 2.082 20 30 FEEDRO COc1cc(C[NH2+]CCNS(=O)(=O)c2ccc(C)s2)ccc1C#N ZINC000281460405 551100255 /nfs/dbraw/zinc/10/02/55/551100255.db2.gz AVHBTTFJQGSBOV-UHFFFAOYSA-N 1 0 365.480 2.005 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374.437 2.129 20 30 FEEDRO N#CC1CCC(CNC(=O)CC[NH+]2CCN(c3ccccn3)CC2)CC1 ZINC000282471451 551234023 /nfs/dbraw/zinc/23/40/23/551234023.db2.gz WHODTKOKHPXMGD-UHFFFAOYSA-N 1 0 355.486 2.040 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N2CCC[C@@H](c3ncc4n3CCCC4)C2)CC1 ZINC000282504847 551238527 /nfs/dbraw/zinc/23/85/27/551238527.db2.gz ZEEIEAQHYSJAQL-GOSISDBHSA-N 1 0 354.498 2.271 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N[C@H]2CCN(C(=O)Nc3ccccc3)C2)CC1 ZINC000282809420 551272961 /nfs/dbraw/zinc/27/29/61/551272961.db2.gz QTIDWNKLELRZQL-SFHVURJKSA-N 1 0 371.485 2.242 20 30 FEEDRO C#Cc1cc(F)c(NC(=O)C(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)c(F)c1 ZINC000283069513 551306898 /nfs/dbraw/zinc/30/68/98/551306898.db2.gz XIJOLTXWPURYRQ-CHWSQXEVSA-N 1 0 363.408 2.121 20 30 FEEDRO C=CCn1c(N)nnc1SC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000283534508 551383177 /nfs/dbraw/zinc/38/31/77/551383177.db2.gz MPVHZFFBGFSNGB-INIZCTEOSA-N 1 0 359.499 2.430 20 30 FEEDRO C=C(C)Cn1c(C(=O)NC(C)C)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC000283712404 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368.437 2.359 20 30 FEEDRO C=CCS(=O)(=O)CC[NH2+][C@H]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000285048286 551696625 /nfs/dbraw/zinc/69/66/25/551696625.db2.gz IILBXQDGJGJGGE-INIZCTEOSA-N 1 0 366.483 2.230 20 30 FEEDRO C[NH+](C)C[C@H]1CCN(C(=O)C2CCN(c3ccc(C#N)cc3F)CC2)C1 ZINC000285482926 551763421 /nfs/dbraw/zinc/76/34/21/551763421.db2.gz LKWHRJHGQZIJSD-MRXNPFEDSA-N 1 0 358.461 2.324 20 30 FEEDRO CC[C@](C)(C#N)C(=O)N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000285861496 551820309 /nfs/dbraw/zinc/82/03/09/551820309.db2.gz DKRGZRRTXAZCPJ-GHTZIAJQSA-N 1 0 369.513 2.382 20 30 FEEDRO N#CCCCCNC(=O)C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000285938400 551829298 /nfs/dbraw/zinc/82/92/98/551829298.db2.gz LVQYAOPNJRBSFB-UHFFFAOYSA-N 1 0 370.497 2.489 20 30 FEEDRO C[NH+]1CCC(CCNC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)CC1 ZINC000286073485 551845406 /nfs/dbraw/zinc/84/54/06/551845406.db2.gz JHXGPEGEFJFJSO-QGZVFWFLSA-N 1 0 358.461 2.372 20 30 FEEDRO N#CCC[C@H](C#N)CN1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000286072022 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2.159 20 30 FEEDRO C#CCN(Cc1ccccc1)C(=O)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000286985027 551948359 /nfs/dbraw/zinc/94/83/59/551948359.db2.gz FXNIPGSOMAGVSZ-FQEVSTJZSA-N 1 0 356.514 2.103 20 30 FEEDRO COc1ccc([C@H](C)[NH2+]CC(=O)N(CCC#N)CCC#N)c(C)c1OC ZINC000286999003 551950103 /nfs/dbraw/zinc/95/01/03/551950103.db2.gz PXCVJJRELUQUGO-HNNXBMFYSA-N 1 0 358.442 2.319 20 30 FEEDRO CCN(CCC[NH+](C)C)C(=O)Nc1ccc(S(=O)(=O)[C@@H](C)C#N)cc1 ZINC000287044138 551955712 /nfs/dbraw/zinc/95/57/12/551955712.db2.gz GJWYXBYFVBTTQQ-AWEZNQCLSA-N 1 0 366.487 2.178 20 30 FEEDRO CN(CCC(=O)Nc1sc2c(c1C#N)CCCCC2)Cc1nncn1C ZINC000287113173 551965166 /nfs/dbraw/zinc/96/51/66/551965166.db2.gz YOKXIERAJKFXJU-UHFFFAOYSA-N 1 0 372.498 2.478 20 30 FEEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)NCC3=CCCOC3)CC2)cc1 ZINC000287883463 552058647 /nfs/dbraw/zinc/05/86/47/552058647.db2.gz FRJNIMPQMJJNNG-UHFFFAOYSA-N 1 0 354.454 2.122 20 30 FEEDRO C[C@@H](NC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1)C1=CC[N@H+](C)CC1 ZINC000287994826 552072575 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FEEDRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)Cc1noc(C)c1C#N ZINC000500020555 561564117 /nfs/dbraw/zinc/56/41/17/561564117.db2.gz RTWDTFPVNBWHBN-QGZVFWFLSA-N 1 0 367.453 2.305 20 30 FEEDRO COc1nnccc1NC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000288973563 552246042 /nfs/dbraw/zinc/24/60/42/552246042.db2.gz SDCJMUIXEXGDGU-UHFFFAOYSA-N 1 0 366.425 2.097 20 30 FEEDRO CC(C)(CCC#N)CNC(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000500192884 561567626 /nfs/dbraw/zinc/56/76/26/561567626.db2.gz YZLBCDNJHZFZHA-IRXDYDNUSA-N 1 0 350.507 2.383 20 30 FEEDRO CCN(Cc1ccc(C[NH+](C)C)cc1)S(=O)(=O)c1cncc(C#N)c1 ZINC000289965460 552406796 /nfs/dbraw/zinc/40/67/96/552406796.db2.gz WTHHKKCUOUTARR-UHFFFAOYSA-N 1 0 358.467 2.226 20 30 FEEDRO COc1ccc(CN2CC[C@H]([NH2+]Cc3ccc(C#N)cc3)C2=O)c(OC)c1 ZINC000290105976 552428336 /nfs/dbraw/zinc/42/83/36/552428336.db2.gz KPEUZVUMTSJTIU-IBGZPJMESA-N 1 0 365.433 2.466 20 30 FEEDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000290299122 552456503 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FEEDRO CC(C)CNC(=O)N1CCC[C@H](C(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)C1 ZINC000329386123 553935978 /nfs/dbraw/zinc/93/59/78/553935978.db2.gz POCSCLPNORYYJY-OKZBNKHCSA-N 1 0 364.534 2.354 20 30 FEEDRO CNC(=O)CN1CCC([NH2+][C@H]2CCN(C(C)=O)Cc3ccccc32)CC1 ZINC000329416536 553942738 /nfs/dbraw/zinc/94/27/38/553942738.db2.gz FTLMWCVYCNWEHE-IBGZPJMESA-N 1 0 358.486 2.120 20 30 FEEDRO CN1CC[C@H]([NH+]2CCC(NC(=O)c3c[nH]nc3-c3ccsc3)CC2)C1=O ZINC000329435577 553946619 /nfs/dbraw/zinc/94/66/19/553946619.db2.gz LSIHYGOEPFAPET-HNNXBMFYSA-N 1 0 373.482 2.138 20 30 FEEDRO CN1C[C@H](NC(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)CCC1=O ZINC000329460891 553951214 /nfs/dbraw/zinc/95/12/14/553951214.db2.gz SEFBGFOUBSVERA-MSOLQXFVSA-N 1 0 358.486 2.166 20 30 FEEDRO CCC[NH+]1CCC(CNC(=O)N2CCC[C@@H](C(=O)N3CCCC3)C2)CC1 ZINC000329475695 553953916 /nfs/dbraw/zinc/95/39/16/553953916.db2.gz PCMFZZVDWWKACO-GOSISDBHSA-N 1 0 364.534 2.357 20 30 FEEDRO CN(C(=O)NCC[NH+]1CCC2(CCCCC2)CC1)[C@@H]1CCN(C)C1=O ZINC000329527618 553962039 /nfs/dbraw/zinc/96/20/39/553962039.db2.gz UHCJESZISKOICY-MRXNPFEDSA-N 1 0 350.507 2.109 20 30 FEEDRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)Nc1nc2c(s1)CCCC2(C)C ZINC000329590965 553973037 /nfs/dbraw/zinc/97/30/37/553973037.db2.gz TZMCUONDGTVDQN-LBPRGKRZSA-N 1 0 351.520 2.329 20 30 FEEDRO CCS(=O)(=O)N1CCC[C@H](C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC000329636391 553980231 /nfs/dbraw/zinc/98/02/31/553980231.db2.gz VCGIUNXQVALYKQ-HNSVSWJLSA-N 1 0 357.520 2.020 20 30 FEEDRO C[C@@H]1C[N@@H+](CC2CCN(C(=O)NCC[C@@H]3CCOC3)CC2)C[C@H](C)O1 ZINC000329664195 553984562 /nfs/dbraw/zinc/98/45/62/553984562.db2.gz QFQVBXHMZQRGIR-SOLBZPMBSA-N 1 0 353.507 2.148 20 30 FEEDRO CC1CC[NH+](C[C@@H](O)CNC(=O)Cc2cc(F)cc3c2OCOC3)CC1 ZINC000329673558 553986443 /nfs/dbraw/zinc/98/64/43/553986443.db2.gz VABLCSILCLLJNJ-KRWDZBQOSA-N 1 0 366.433 2.284 20 30 FEEDRO C[C@@H]1CN(C(=O)NCC2([NH+](C)C)CCCCCC2)C[C@H](C)S1(=O)=O ZINC000329688035 553989383 /nfs/dbraw/zinc/98/93/83/553989383.db2.gz FZDCTDZBKPDXFC-GASCZTMLSA-N 1 0 359.536 2.062 20 30 FEEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)NC2CCC3(CC2)NC(=O)NC3=O)C[C@@H]1C ZINC000329693973 553990659 /nfs/dbraw/zinc/99/06/59/553990659.db2.gz CNFMOGDMPXKBQT-FMHYQEOESA-N 1 0 365.478 2.271 20 30 FEEDRO C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@@H+]1CCCN2c3ccccc3C[C@H]2C1 ZINC000329770274 554003068 /nfs/dbraw/zinc/00/30/68/554003068.db2.gz FVUWHZUUIOPKIQ-QAPCUYQASA-N 1 0 370.497 2.089 20 30 FEEDRO CCC[NH+]1CCC(NC(=O)N[C@@H]2CCCN(c3ccc(C)nn3)C2)CC1 ZINC000329774912 554003608 /nfs/dbraw/zinc/00/36/08/554003608.db2.gz MPCKRAAOJDRSLG-QGZVFWFLSA-N 1 0 360.506 2.132 20 30 FEEDRO Cc1cnccc1CCNC(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000329786984 554006126 /nfs/dbraw/zinc/00/61/26/554006126.db2.gz QWZYQBPAFFJJEO-UHFFFAOYSA-N 1 0 373.545 2.196 20 30 FEEDRO O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)N1CCCC2(CCOCC2)C1 ZINC000329801042 554008390 /nfs/dbraw/zinc/00/83/90/554008390.db2.gz JGIPUCLFKQJXLB-KRWDZBQOSA-N 1 0 365.518 2.294 20 30 FEEDRO CN1CCC(CNC(=O)NC[C@H]2CCCCO2)([NH+]2CCCCC2)CC1 ZINC000329810185 554009701 /nfs/dbraw/zinc/00/97/01/554009701.db2.gz MLJQJJZNFZASER-QGZVFWFLSA-N 1 0 352.523 2.009 20 30 FEEDRO CC(C)N1C[C@@H](NC(=O)N[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CC1=O ZINC000329809562 554009823 /nfs/dbraw/zinc/00/98/23/554009823.db2.gz QCJQVTDDSXYVRU-NJAFHUGGSA-N 1 0 358.486 2.162 20 30 FEEDRO CC1CC[NH+](C2CCC(NC(=O)N[C@H]3CCCS(=O)(=O)C3)CC2)CC1 ZINC000329860797 554020909 /nfs/dbraw/zinc/02/09/09/554020909.db2.gz XPABNTGUDLNCAF-CGZBRXJRSA-N 1 0 371.547 2.110 20 30 FEEDRO CCN1C(=O)CC[C@H](C(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)[C@@H]1c1cnn(C)c1 ZINC000329885220 554024670 /nfs/dbraw/zinc/02/46/70/554024670.db2.gz UHBUWNJHKAAYMT-PZFZOXMESA-N 1 0 373.501 2.301 20 30 FEEDRO Cn1nc(CC(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)c2ccccc2c1=O ZINC000329895540 554026037 /nfs/dbraw/zinc/02/60/37/554026037.db2.gz KMNZBPPKLNWMJS-OAHLLOKOSA-N 1 0 354.454 2.449 20 30 FEEDRO Cn1nc(CC(=O)NCC2CC[NH+](C3CC3)CC2)c2ccccc2c1=O ZINC000329918832 554031591 /nfs/dbraw/zinc/03/15/91/554031591.db2.gz AKJOSPLBAJUPHB-UHFFFAOYSA-N 1 0 354.454 2.307 20 30 FEEDRO CC(=O)N[C@H](CC1CCC1)C(=O)N1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000329936993 554035451 /nfs/dbraw/zinc/03/54/51/554035451.db2.gz DLFSATZDWQDNAD-DNVCBOLYSA-N 1 0 364.534 2.149 20 30 FEEDRO CCN1C(=O)CC[C@H](C(=O)N[C@H](C)C2=CC[N@H+](C)CC2)[C@H]1c1cnn(C)c1 ZINC000329965014 554040327 /nfs/dbraw/zinc/04/03/27/554040327.db2.gz UERSEVSTDSSAJZ-DKSSEZFCSA-N 1 0 373.501 2.327 20 30 FEEDRO CCCN1CCCN(C(=O)NC2CC[NH+](CC3CCCC3)CC2)CC1=O ZINC000329970883 554041491 /nfs/dbraw/zinc/04/14/91/554041491.db2.gz YCZFJKOPAWABKY-UHFFFAOYSA-N 1 0 364.534 2.499 20 30 FEEDRO CCN1CCN(C(=O)NC2CC[NH+](C3CCCC3)CC2)C[C@H]1c1ncc[nH]1 ZINC000329973675 554042279 /nfs/dbraw/zinc/04/22/79/554042279.db2.gz WXYDNOWLXXWRAM-SFHVURJKSA-N 1 0 374.533 2.409 20 30 FEEDRO CCO[C@@H]1C[C@H](NC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)C12CCOCC2 ZINC000329975770 554042410 /nfs/dbraw/zinc/04/24/10/554042410.db2.gz DUJVXUWEVXHMTL-OKZBNKHCSA-N 1 0 365.518 2.435 20 30 FEEDRO CC(=O)N1CC[C@H](NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000329992551 554045459 /nfs/dbraw/zinc/04/54/59/554045459.db2.gz XOZYQEQXUHRGAT-ZYSHUDEJSA-N 1 0 358.486 2.021 20 30 FEEDRO O=C(Cn1cc(NC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)cn1)NC1CCCC1 ZINC000330011238 554049036 /nfs/dbraw/zinc/04/90/36/554049036.db2.gz IQWDZBRDUMRRPN-KRWDZBQOSA-N 1 0 372.473 2.274 20 30 FEEDRO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1cccc(-n2cnc(N(C)C)n2)c1 ZINC000330018081 554050321 /nfs/dbraw/zinc/05/03/21/554050321.db2.gz SFGGTZWHMWGTNK-YOEHRIQHSA-N 1 0 369.473 2.047 20 30 FEEDRO Cc1nn(C)c(-n2ccnc2C)c1C(=O)N[C@@H](C)c1nnc2n1CCCC2 ZINC000330021961 554050518 /nfs/dbraw/zinc/05/05/18/554050518.db2.gz YTIOMWGRZYWIEM-LBPRGKRZSA-N 1 0 368.445 2.216 20 30 FEEDRO CCC[NH+]1CCC(NC(=O)N2CCSC[C@@H]2c2cnn(C)c2)CC1 ZINC000330025163 554051374 /nfs/dbraw/zinc/05/13/74/554051374.db2.gz ATYFXTFPFXKESL-MRXNPFEDSA-N 1 0 351.520 2.298 20 30 FEEDRO CC(=O)N1CCC[C@H](CNC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)C1 ZINC000330024718 554051383 /nfs/dbraw/zinc/05/13/83/554051383.db2.gz JYKBTVIHUIEUJK-QZTJIDSGSA-N 1 0 350.507 2.109 20 30 FEEDRO C[N@H+](CCO)C1CCN(C(=O)NC[C@H]2CCC3(CCCCC3)O2)CC1 ZINC000330080028 554061382 /nfs/dbraw/zinc/06/13/82/554061382.db2.gz GGYRASMTANWZQO-QGZVFWFLSA-N 1 0 353.507 2.171 20 30 FEEDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CCC(c2nnc3n2CCCC3)CC1 ZINC000330091441 554062801 /nfs/dbraw/zinc/06/28/01/554062801.db2.gz PXSFJNHEKQURIM-RHSMWYFYSA-N 1 0 372.517 2.191 20 30 FEEDRO Cc1ccc2c(c1)CC[C@@H]2NC(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000330126133 554069464 /nfs/dbraw/zinc/06/94/64/554069464.db2.gz MFBASHDPLPZPJH-OALUTQOASA-N 1 0 370.497 2.135 20 30 FEEDRO O=C(NCC(F)(F)F)[C@@H]1CCN(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC000330169476 554077458 /nfs/dbraw/zinc/07/74/58/554077458.db2.gz BLRZSIPULCTIPB-JHJVBQTASA-N 1 0 362.396 2.368 20 30 FEEDRO CS(=O)(=O)C[C@H]1CCN(C(=O)NC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000330191858 554081833 /nfs/dbraw/zinc/08/18/33/554081833.db2.gz NIHMQCXQPUWRPP-HNNXBMFYSA-N 1 0 371.547 2.064 20 30 FEEDRO N#Cc1cccc(F)c1CC(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000507667698 561737413 /nfs/dbraw/zinc/73/74/13/561737413.db2.gz WYXRKUCNWPMASR-UHFFFAOYSA-N 1 0 352.413 2.416 20 30 FEEDRO CC(C)N1C[C@H](NC(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)CC1=O ZINC000330232944 554089819 /nfs/dbraw/zinc/08/98/19/554089819.db2.gz FSGJTJHOMTUZRZ-QZTJIDSGSA-N 1 0 358.486 2.336 20 30 FEEDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@H]2CCOC3(CCOCC3)C2)C1 ZINC000330242034 554091642 /nfs/dbraw/zinc/09/16/42/554091642.db2.gz FYQHVLWWFDSFFZ-IRXDYDNUSA-N 1 0 353.507 2.292 20 30 FEEDRO C[C@H](CNC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccnn1C)C[NH+]1CCCCC1 ZINC000330262440 554095478 /nfs/dbraw/zinc/09/54/78/554095478.db2.gz UZYLHMZAFFHPHE-RKVPGOIHSA-N 1 0 361.490 2.018 20 30 FEEDRO CC[C@H](NC(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C)C1CCOCC1 ZINC000330271560 554097371 /nfs/dbraw/zinc/09/73/71/554097371.db2.gz WCLVECOAPFNDOM-QAPCUYQASA-N 1 0 353.507 2.291 20 30 FEEDRO C[NH+](C)[C@@H]1CCCN(C(=O)Nc2ccccc2CN2CCNC2=O)CC1 ZINC000330276164 554097957 /nfs/dbraw/zinc/09/79/57/554097957.db2.gz MMJNCXZRSJMVOD-MRXNPFEDSA-N 1 0 359.474 2.378 20 30 FEEDRO Cc1c([C@H]2OCC[C@@H]2NC(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)cnn1C ZINC000330327738 554105908 /nfs/dbraw/zinc/10/59/08/554105908.db2.gz LDNRHABMANBZBT-KJWYOANISA-N 1 0 363.506 2.183 20 30 FEEDRO CCn1cc([C@H]2OCC[C@@H]2NC(=O)NC2CC[NH+](CC3CC3)CC2)cn1 ZINC000330341037 554108394 /nfs/dbraw/zinc/10/83/94/554108394.db2.gz YSTJVJUFWRFVOT-ZWKOTPCHSA-N 1 0 361.490 2.111 20 30 FEEDRO C[C@H](C#N)CN(C)S(=O)(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000330387984 554114832 /nfs/dbraw/zinc/11/48/32/554114832.db2.gz NBXXUJDUAJOVGU-FMKPAKJESA-N 1 0 370.544 2.057 20 30 FEEDRO C[C@@H](CC#N)N(C)S(=O)(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000330409227 554117886 /nfs/dbraw/zinc/11/78/86/554117886.db2.gz JYTRTDQFFOZWSC-FUHWJXTLSA-N 1 0 364.515 2.109 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000507930277 561746260 /nfs/dbraw/zinc/74/62/60/561746260.db2.gz WVMDKILJSCLDBL-MQVJKMGUSA-N 1 0 361.511 2.394 20 30 FEEDRO C[C@H](c1ccc(C#N)cc1)[N@@H+]1C[C@@H](COCC(=O)N(C)C)OC(C)(C)C1 ZINC000330541250 554135446 /nfs/dbraw/zinc/13/54/46/554135446.db2.gz SKCGLNYPJSJBGL-QAPCUYQASA-N 1 0 359.470 2.203 20 30 FEEDRO C[C@@H](O)C[N@@H+]1CCN(C(=O)Nc2ccc(OC(F)F)c(F)c2)[C@H](C)C1 ZINC000330541960 554135670 /nfs/dbraw/zinc/13/56/70/554135670.db2.gz WTFKNCWAJQKVNR-GHMZBOCLSA-N 1 0 361.364 2.360 20 30 FEEDRO CC(=O)Nc1ccc(NC(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@@H]2C)c(Cl)c1 ZINC000330553942 554137272 /nfs/dbraw/zinc/13/72/72/554137272.db2.gz USKIQFXMJHQPED-NWDGAFQWSA-N 1 0 368.865 2.231 20 30 FEEDRO COc1cc(SC)ccc1NC(=O)N1CC[N@H+](C[C@@H](C)O)C[C@@H]1C ZINC000330569556 554139514 /nfs/dbraw/zinc/13/95/14/554139514.db2.gz NZHMRGOBJHETSI-QWHCGFSZSA-N 1 0 353.488 2.350 20 30 FEEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2c(C)nn(CCOC)c2C)C[C@H]1C ZINC000330641989 554149825 /nfs/dbraw/zinc/14/98/25/554149825.db2.gz DEUFFFIKMKXWSF-CJNGLKHVSA-N 1 0 351.495 2.496 20 30 FEEDRO CC(C)Cn1ncc(NC(=O)N2CCO[C@@H](C[NH+](C)C)C2)c1C(F)F ZINC000330644202 554150278 /nfs/dbraw/zinc/15/02/78/554150278.db2.gz HJOCCAAORYKGGV-LBPRGKRZSA-N 1 0 359.421 2.285 20 30 FEEDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(S(=O)(=O)N(C)C)c(C)o1 ZINC000330663398 554153615 /nfs/dbraw/zinc/15/36/15/554153615.db2.gz DZQJTAIWIGGMNG-ZDUSSCGKSA-N 1 0 357.476 2.017 20 30 FEEDRO CC(C)[C@H](C)NC(=O)C1CC[NH+]([C@@H](C)C(=O)NC(=O)NC(C)(C)C)CC1 ZINC000330761844 554168399 /nfs/dbraw/zinc/16/83/99/554168399.db2.gz NQJODAVYJNZKDC-KBPBESRZSA-N 1 0 368.522 2.076 20 30 FEEDRO CC[NH+](CC)CC1CCN(C(=O)Nc2ccnc(C(=O)N(C)C)c2)CC1 ZINC000330853940 554179469 /nfs/dbraw/zinc/17/94/69/554179469.db2.gz GWHNXFWZSNPGND-UHFFFAOYSA-N 1 0 361.490 2.383 20 30 FEEDRO CCOc1cc(C(=O)N(C)C)ccc1NC(=O)N1CC[N@H+](C)[C@@H](C)[C@H]1C ZINC000330883359 554182812 /nfs/dbraw/zinc/18/28/12/554182812.db2.gz JTPUPJCJALZPRT-UONOGXRCSA-N 1 0 362.474 2.357 20 30 FEEDRO CC(C)CNC(=O)N1CCC[C@H](C(=O)N2CC[NH+](CC(C)C)CC2)C1 ZINC000330909824 554187266 /nfs/dbraw/zinc/18/72/66/554187266.db2.gz PBVDYTDUEPQPJZ-KRWDZBQOSA-N 1 0 352.523 2.069 20 30 FEEDRO COC1(CNC(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)CCC(C)CC1 ZINC000331055977 554207476 /nfs/dbraw/zinc/20/74/76/554207476.db2.gz LBCNEPGDKGFCMX-KOHRHEQBSA-N 1 0 355.523 2.273 20 30 FEEDRO CC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000331191452 554228224 /nfs/dbraw/zinc/22/82/24/554228224.db2.gz LHLVFKBKECZZIG-GFCCVEGCSA-N 1 0 372.288 2.083 20 30 FEEDRO CC(C)COc1ccc(NC(=O)N2CC[N@H+](C[C@H](C)O)C[C@@H]2C)cn1 ZINC000331202916 554230122 /nfs/dbraw/zinc/23/01/22/554230122.db2.gz XRJSCKFAKKURJZ-GJZGRUSLSA-N 1 0 350.463 2.049 20 30 FEEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccccc2S(C)(=O)=O)C[C@@H]1C ZINC000331274623 554240081 /nfs/dbraw/zinc/24/00/81/554240081.db2.gz HXJJUJXNLPWFJP-UONOGXRCSA-N 1 0 353.488 2.440 20 30 FEEDRO C[C@@H]1C[NH+](CC2CCN(S(=O)(=O)CC(C)(C)CC#N)CC2)C[C@@H](C)O1 ZINC000331293792 554242560 /nfs/dbraw/zinc/24/25/60/554242560.db2.gz CCBQZLLLSVZHQO-HZPDHXFCSA-N 1 0 371.547 2.077 20 30 FEEDRO C=CCn1c(C(=O)NC(CC)CC)nnc1N1CCC([NH+]2CCCC2)CC1 ZINC000508827375 561774250 /nfs/dbraw/zinc/77/42/50/561774250.db2.gz LIZJQDNDXSFBQG-UHFFFAOYSA-N 1 0 374.533 2.447 20 30 FEEDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2CCC[C@H](CNC(N)=O)C2)C1 ZINC000331335907 554248449 /nfs/dbraw/zinc/24/84/49/554248449.db2.gz UUXGXLDYMZBCSV-HZPDHXFCSA-N 1 0 353.511 2.063 20 30 FEEDRO CS[C@@H]1CN([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@H]1[NH+](C)C ZINC000331410729 554259631 /nfs/dbraw/zinc/25/96/31/554259631.db2.gz GGKLBZLDUNSFDK-KZNAEPCWSA-N 1 0 358.511 2.031 20 30 FEEDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000331430484 554263194 /nfs/dbraw/zinc/26/31/94/554263194.db2.gz CDEOQBYCEJZEMU-BONVTDFDSA-N 1 0 373.400 2.338 20 30 FEEDRO C=CCn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000508916632 561778261 /nfs/dbraw/zinc/77/82/61/561778261.db2.gz HEWOXSWAADLYLS-QGZVFWFLSA-N 1 0 374.533 2.447 20 30 FEEDRO CO[C@H]1C[NH+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)C[C@@H]1OC ZINC000331531001 554280934 /nfs/dbraw/zinc/28/09/34/554280934.db2.gz HBJHBJKBIVJXQC-GJZGRUSLSA-N 1 0 363.483 2.173 20 30 FEEDRO CS[C@H]1CN(S(=O)(=O)c2ccc(C#N)cc2C)C[C@@H]1[NH+]1CCCC1 ZINC000332085850 554376911 /nfs/dbraw/zinc/37/69/11/554376911.db2.gz QXAJFUMGMOTRDN-HOTGVXAUSA-N 1 0 365.524 2.067 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)c2c(C)nn(Cc3ccccc3)c2N)CC1 ZINC000510297343 561830939 /nfs/dbraw/zinc/83/09/39/561830939.db2.gz KDIHVDPMFLDANV-UHFFFAOYSA-N 1 0 353.470 2.202 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)COc1ccc(O)cc1 ZINC000510388498 561833081 /nfs/dbraw/zinc/83/30/81/561833081.db2.gz JFTXDTRJSDEMLK-UHFFFAOYSA-N 1 0 353.422 2.233 20 30 FEEDRO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(C#N)cc1OC(F)F ZINC000510776634 561846295 /nfs/dbraw/zinc/84/62/95/561846295.db2.gz HWFFXJVECQBEEP-UONOGXRCSA-N 1 0 373.425 2.110 20 30 FEEDRO CCOC(=O)C(C)(C)C1CC[NH+](CC(=O)NCc2ccc(C#N)cc2)CC1 ZINC000510871954 561849073 /nfs/dbraw/zinc/84/90/73/561849073.db2.gz JDUSPCBSOIMGRT-UHFFFAOYSA-N 1 0 371.481 2.476 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CN1C(=O)N[C@H](Cc2ccccn2)C1=O)C(C)C ZINC000349235420 554722464 /nfs/dbraw/zinc/72/24/64/554722464.db2.gz DXQFDRDWEYVWCM-MSOLQXFVSA-N 1 0 356.470 2.243 20 30 FEEDRO N#Cc1ccc(-c2nc(-c3ccccc3C[N@H+]3CCC[C@H]3C(N)=O)no2)o1 ZINC000350538108 554796284 /nfs/dbraw/zinc/79/62/84/554796284.db2.gz WFZHPQHCWABZDG-HNNXBMFYSA-N 1 0 363.377 2.318 20 30 FEEDRO C=CCOc1ccc(C[NH2+]C[C@H]2CCC[C@@]23NC(=O)N(C)C3=O)cc1OC ZINC000360021274 554859765 /nfs/dbraw/zinc/85/97/65/554859765.db2.gz NFEPLRFOXMSTDY-FOIQADDNSA-N 1 0 373.453 2.070 20 30 FEEDRO Cc1c(C#N)cccc1NC(=O)C(=O)N1CCC[C@@H]([NH+]2CCCCC2)C1 ZINC000360140548 554864083 /nfs/dbraw/zinc/86/40/83/554864083.db2.gz KVFWFUCPBMZONL-QGZVFWFLSA-N 1 0 354.454 2.282 20 30 FEEDRO C=CCNC(=O)C[N@H+]1CCC[C@@H]([C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000360145817 554864861 /nfs/dbraw/zinc/86/48/61/554864861.db2.gz AEUYPTSBYYBDQO-CVEARBPZSA-N 1 0 351.491 2.400 20 30 FEEDRO CN1CCC([N@@H+]2CC[C@@H](NC(=O)N[C@@H](CCC#N)c3ccccc3)C2)CC1 ZINC000360853154 554892519 /nfs/dbraw/zinc/89/25/19/554892519.db2.gz XMHAXDUWPQXPPU-QUCCMNQESA-N 1 0 369.513 2.499 20 30 FEEDRO Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)NCC[NH+]3CCC(C)CC3)C2)n1 ZINC000360848903 554892577 /nfs/dbraw/zinc/89/25/77/554892577.db2.gz HYEFQPQNYBWJSX-LJQANCHMSA-N 1 0 369.513 2.326 20 30 FEEDRO C=CCN(CC=C)C(=O)C[NH2+][C@](C)(CO)c1ccc(Br)cc1 ZINC000511551294 561872240 /nfs/dbraw/zinc/87/22/40/561872240.db2.gz CWBRJSLIKUJSOJ-QGZVFWFLSA-N 1 0 367.287 2.447 20 30 FEEDRO CC(C)N1CC[NH+](C2CCN(c3ccc([N+](=O)[O-])cc3C#N)CC2)CC1 ZINC000361795641 554935114 /nfs/dbraw/zinc/93/51/14/554935114.db2.gz FCRWRYKJDHUPEU-UHFFFAOYSA-N 1 0 357.458 2.461 20 30 FEEDRO C[NH+]1CCC([C@H]2CCN(S(=O)(=O)c3ccc(F)c(C#N)c3)C2)CC1 ZINC000362178193 554954542 /nfs/dbraw/zinc/95/45/42/554954542.db2.gz MRYZNDVGGJAOKB-AWEZNQCLSA-N 1 0 351.447 2.050 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)NC[C@@]2(O)CCCc3ccc(OC)cc32)CC1 ZINC000362388668 554968644 /nfs/dbraw/zinc/96/86/44/554968644.db2.gz HCSIHPDYWUPMIN-NRFANRHFSA-N 1 0 373.497 2.169 20 30 FEEDRO Cc1c(C#N)cccc1NC(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000362688145 554981124 /nfs/dbraw/zinc/98/11/24/554981124.db2.gz SKARTFMBIZTTSA-DNVCBOLYSA-N 1 0 355.486 2.356 20 30 FEEDRO C#CCOc1ccc(F)cc1NC(=O)N1CCC[N@@H+](CCCOC)CC1 ZINC000362887809 554996298 /nfs/dbraw/zinc/99/62/98/554996298.db2.gz CZCLJKCRCZKSRW-UHFFFAOYSA-N 1 0 363.433 2.414 20 30 FEEDRO C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)n1cnc(C#N)n1 ZINC000511743370 561879438 /nfs/dbraw/zinc/87/94/38/561879438.db2.gz MZIPWABGBKRMJW-WBVHZDCISA-N 1 0 366.469 2.128 20 30 FEEDRO C[C@@H]1C[C@@H](C)C[NH+](C2CCN(S(=O)(=O)c3ccc(C#N)nc3)CC2)C1 ZINC000363207164 555053869 /nfs/dbraw/zinc/05/38/69/555053869.db2.gz YDDALHOYCTYZBC-HUUCEWRRSA-N 1 0 362.499 2.084 20 30 FEEDRO C[C@H](C(=O)N(C)CCC#N)[NH+]1CCC(C(=O)N(C)c2ccccc2)CC1 ZINC000363208073 555054076 /nfs/dbraw/zinc/05/40/76/555054076.db2.gz AGZSUMCYQDXMBT-MRXNPFEDSA-N 1 0 356.470 2.122 20 30 FEEDRO N#C[C@H](c1ccccc1)N1CCN(C(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC000363316772 555077095 /nfs/dbraw/zinc/07/70/95/555077095.db2.gz PPDJMVVCUYXAOF-VAMGGRTRSA-N 1 0 352.482 2.270 20 30 FEEDRO CC[N@@H+]1CCc2c(cccc2-n2nnc(C(=O)N(C)C[C@H](C)C#N)c2C)C1 ZINC000363397378 555095333 /nfs/dbraw/zinc/09/53/33/555095333.db2.gz NFSOFTPPCLSQLL-CQSZACIVSA-N 1 0 366.469 2.185 20 30 FEEDRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000363425716 555102583 /nfs/dbraw/zinc/10/25/83/555102583.db2.gz GIEWGFVWAYFDBU-OAQYLSRUSA-N 1 0 362.477 2.381 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1cn(C)nc1-c1cnn(C)c1)C(C)C ZINC000363739145 555176192 /nfs/dbraw/zinc/17/61/92/555176192.db2.gz ODKJYEVYWXMNMZ-SFHVURJKSA-N 1 0 370.501 2.249 20 30 FEEDRO C=CC[C@H](CO)NC(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1ccc(OC)cc1 ZINC000363785652 555186015 /nfs/dbraw/zinc/18/60/15/555186015.db2.gz ZMCYNQRELUSNMG-SCTDSRPQSA-N 1 0 361.486 2.314 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)[C@@H]2CCCN(c3ccc(C)cn3)C2)CC1 ZINC000363816380 555192309 /nfs/dbraw/zinc/19/23/09/555192309.db2.gz HKYPTDUWZOZGSG-GOSISDBHSA-N 1 0 354.498 2.210 20 30 FEEDRO COc1cc(C[N@H+](C)[C@@H]2COC[C@H]2O)ccc1OCc1cccc(C#N)c1 ZINC000512214866 561896226 /nfs/dbraw/zinc/89/62/26/561896226.db2.gz XIPHYMDDKYTSNX-RTBURBONSA-N 1 0 368.433 2.337 20 30 FEEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH2+][C@@H]1CSC[C@@H]1C ZINC000512221105 561896467 /nfs/dbraw/zinc/89/64/67/561896467.db2.gz WGZUZWQZHLTZDR-BLLLJJGKSA-N 1 0 364.515 2.293 20 30 FEEDRO C=CCN(C(=O)NCc1nc(C)no1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000364282358 555283964 /nfs/dbraw/zinc/28/39/64/555283964.db2.gz WLPITSUXROHUHM-QGZVFWFLSA-N 1 0 355.442 2.350 20 30 FEEDRO C[C@@H]([NH2+][C@H]1CCCN(c2ccccc2C#N)C1)C1CCS(=O)(=O)CC1 ZINC000364467096 555319012 /nfs/dbraw/zinc/31/90/12/555319012.db2.gz NFTOMXKTUGSMNJ-QAPCUYQASA-N 1 0 361.511 2.330 20 30 FEEDRO C[N@@H+]1CC[C@@H](CNC(=O)COc2ccc(C#N)cc2)[C@@H]1c1cccnc1 ZINC000364569208 555340721 /nfs/dbraw/zinc/34/07/21/555340721.db2.gz LBAJWSJYGZYXAX-PXNSSMCTSA-N 1 0 350.422 2.141 20 30 FEEDRO C[N@H+](CCNC(=O)[C@@H]1CCC(=O)N1Cc1cccc(C#N)c1)C1CCCC1 ZINC000364722081 555385675 /nfs/dbraw/zinc/38/56/75/555385675.db2.gz JHKHNKWKKLMSQH-IBGZPJMESA-N 1 0 368.481 2.040 20 30 FEEDRO N#Cc1ncn(CC[NH2+]Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)n1 ZINC000512891070 561919154 /nfs/dbraw/zinc/91/91/54/561919154.db2.gz NVUKCROQUGYSLI-UHFFFAOYSA-N 1 0 361.331 2.144 20 30 FEEDRO N#Cc1c(F)ccc(C[NH2+][C@@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)c1Cl ZINC000365482055 555587455 /nfs/dbraw/zinc/58/74/55/555587455.db2.gz UHGHVBWJUABDGW-WBMJQRKESA-N 1 0 372.849 2.177 20 30 FEEDRO Cc1oc(NC(=O)[C@H](C)[NH2+][C@H]2CCCC[C@@H]2N2CCOCC2)c(C#N)c1C ZINC000365597955 555619199 /nfs/dbraw/zinc/61/91/99/555619199.db2.gz JJIBKGWLOXDMLY-WBAXXEDZSA-N 1 0 374.485 2.328 20 30 FEEDRO N#Cc1ccc(NC(=O)CN2CC[NH+](CCc3cccs3)CC2)cc1 ZINC000513450335 561938780 /nfs/dbraw/zinc/93/87/80/561938780.db2.gz JJXVBAXXBCSVCW-UHFFFAOYSA-N 1 0 354.479 2.419 20 30 FEEDRO C=CCNC(=O)CNC(=O)NC[C@@H](c1ccc(CC(C)C)cc1)[NH+](C)C ZINC000513378027 561936012 /nfs/dbraw/zinc/93/60/12/561936012.db2.gz NQHIGJPTXLNBSX-SFHVURJKSA-N 1 0 360.502 2.089 20 30 FEEDRO N#CCCN(CCC#N)C(=O)C[N@H+]1CCC[C@](O)(c2ccccc2)CC1 ZINC000365978093 555716293 /nfs/dbraw/zinc/71/62/93/555716293.db2.gz KZNVWSGIWMSKCE-HXUWFJFHSA-N 1 0 354.454 2.016 20 30 FEEDRO CC[C@@H]1CN(Cc2nnc(-c3ccc(C#N)cc3)o2)C[C@]2(CCOC2)O1 ZINC000366579855 555881592 /nfs/dbraw/zinc/88/15/92/555881592.db2.gz XAXNXWIADJJJOR-APWZRJJASA-N 1 0 354.410 2.378 20 30 FEEDRO CC(C)CC(=O)N1CCC(C[NH+]2CCC(n3cnc(C#N)n3)CC2)CC1 ZINC000367270099 556004046 /nfs/dbraw/zinc/00/40/46/556004046.db2.gz JSMARYHWMDEQTE-UHFFFAOYSA-N 1 0 358.490 2.071 20 30 FEEDRO C[NH+](C)CCn1ccc(=NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)[nH]1 ZINC000367307990 556014187 /nfs/dbraw/zinc/01/41/87/556014187.db2.gz AZTDAXNXYLWZEJ-UHFFFAOYSA-N 1 0 364.453 2.638 20 30 FEEDRO Cn1cc([C@@H]2C[C@H]2C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000367367820 556029724 /nfs/dbraw/zinc/02/97/24/556029724.db2.gz NRCKNGFADAQVOM-RBUKOAKNSA-N 1 0 363.465 2.198 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N2CCC3(C[C@H]3C(=O)N(C)C3CC3)CC2)CC1 ZINC000367618345 556098275 /nfs/dbraw/zinc/09/82/75/556098275.db2.gz OXFQLQRZPBLMFO-SFHVURJKSA-N 1 0 374.529 2.069 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)o1 ZINC000367744621 556128496 /nfs/dbraw/zinc/12/84/96/556128496.db2.gz DEQYQFVIKURMLT-INIZCTEOSA-N 1 0 359.451 2.342 20 30 FEEDRO C=CCn1c(C(=O)NC(CC)CC)nnc1N1C[C@H](C)[N@H+](CC)C[C@H]1C ZINC000514894128 561985274 /nfs/dbraw/zinc/98/52/74/561985274.db2.gz UWFYWJVLWRIOLT-LSDHHAIUSA-N 1 0 362.522 2.301 20 30 FEEDRO C=CCOCCNC(=O)N(C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000367867053 556159189 /nfs/dbraw/zinc/15/91/89/556159189.db2.gz AEUOKRAJKVIIGM-UHFFFAOYSA-N 1 0 366.550 2.027 20 30 FEEDRO C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000367867443 556159217 /nfs/dbraw/zinc/15/92/17/556159217.db2.gz XVLPGIDNMWPKAN-SFTDATJTSA-N 1 0 369.509 2.375 20 30 FEEDRO C=CCNc1ncc(C(=O)NCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)s1 ZINC000622143599 556231120 /nfs/dbraw/zinc/23/11/20/556231120.db2.gz BRVQBTFPDINMOH-MRXNPFEDSA-N 1 0 372.494 2.238 20 30 FEEDRO CN1CC[C@H]([NH2+]CC(=O)NCc2cccc(C#N)c2)[C@H]1c1ccc(F)cc1 ZINC000368230979 556254210 /nfs/dbraw/zinc/25/42/10/556254210.db2.gz HJVTXXNNWLUYKF-PZJWPPBQSA-N 1 0 366.440 2.349 20 30 FEEDRO CC(C)CN1CCO[C@@H](C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C1 ZINC000368606741 556359791 /nfs/dbraw/zinc/35/97/91/556359791.db2.gz FKSAQPGCUPAPNW-NRFANRHFSA-N 1 0 356.514 2.473 20 30 FEEDRO N#Cc1ccc(N2CCN(C(=O)N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)c(F)c1 ZINC000368884663 556438583 /nfs/dbraw/zinc/43/85/83/556438583.db2.gz VSDKANBUGWCIRN-SJORKVTESA-N 1 0 371.460 2.156 20 30 FEEDRO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N(C)Cc1cccc(C#N)c1 ZINC000515694924 562019673 /nfs/dbraw/zinc/01/96/73/562019673.db2.gz OSVYAWKEPTWLOD-IBGZPJMESA-N 1 0 370.497 2.143 20 30 FEEDRO COc1ccc(CNC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1OCCCC#N ZINC000369037119 556484642 /nfs/dbraw/zinc/48/46/42/556484642.db2.gz VEFFQLLLJRLZJY-MSOLQXFVSA-N 1 0 359.470 2.331 20 30 FEEDRO N#C[C@H]1CN(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)CCN1C1CC1 ZINC000369219256 556539138 /nfs/dbraw/zinc/53/91/38/556539138.db2.gz NHSPHUHZUXTWPY-DLBZAZTESA-N 1 0 373.526 2.267 20 30 FEEDRO N#C[C@@H]1CN(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)CCN1C1CC1 ZINC000369230060 556542531 /nfs/dbraw/zinc/54/25/31/556542531.db2.gz MGFOJKTVZOVCEM-HXUWFJFHSA-N 1 0 367.497 2.164 20 30 FEEDRO COc1ccc([C@@H]2[C@H](CNS(=O)(=O)CCCC#N)CCC[N@@H+]2C)cc1 ZINC000369341719 556574521 /nfs/dbraw/zinc/57/45/21/556574521.db2.gz GBUUUQUHTLICRB-FUHWJXTLSA-N 1 0 365.499 2.301 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)[C@]2(C)CCCN2C(=O)c2ccccc2)CC1 ZINC000369757251 556686462 /nfs/dbraw/zinc/68/64/62/556686462.db2.gz KPONFHPSDVNWRN-QFIPXVFZSA-N 1 0 367.493 2.285 20 30 FEEDRO C[N@H+](CC1CC1)C[C@H]1CCN(S(=O)(=O)c2c(F)cc(C#N)cc2F)C1 ZINC000532320655 562473876 /nfs/dbraw/zinc/47/38/76/562473876.db2.gz WKCAVJHMNVCDJP-CYBMUJFWSA-N 1 0 369.437 2.189 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2cc3ccc(OC)cc3[nH]2)c1C#N ZINC000516555274 562047710 /nfs/dbraw/zinc/04/77/10/562047710.db2.gz FRTHWQKJCIYTEP-UHFFFAOYSA-N 1 0 352.398 2.176 20 30 FEEDRO Cc1csc(NC(=O)NCC(=O)NCC[NH+]2CCCCCC2)c1C#N ZINC000516660282 562053329 /nfs/dbraw/zinc/05/33/29/562053329.db2.gz UESQNILMXWJJMU-UHFFFAOYSA-N 1 0 363.487 2.042 20 30 FEEDRO N#Cc1ccc(Cl)c(S(=O)(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)c1 ZINC000370440288 556873694 /nfs/dbraw/zinc/87/36/94/556873694.db2.gz WVDVRRNAKLHDSX-SQWLQELKSA-N 1 0 365.886 2.316 20 30 FEEDRO C#CCn1ccc(CN(CC)C(=O)C2CCN(c3cc[nH+]cc3C)CC2)n1 ZINC000370497562 556891197 /nfs/dbraw/zinc/89/11/97/556891197.db2.gz CEUJYIIKBORVAI-UHFFFAOYSA-N 1 0 365.481 2.485 20 30 FEEDRO N#C[C@H]1CN(C(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)CCN1C1CC1 ZINC000370965922 557030023 /nfs/dbraw/zinc/03/00/23/557030023.db2.gz BKLRCDMPWJKQOO-ICSRJNTNSA-N 1 0 352.482 2.097 20 30 FEEDRO N#Cc1ccc(CNC(=O)CN2CCC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000371196362 557104194 /nfs/dbraw/zinc/10/41/94/557104194.db2.gz RYCRRRQRIUGHCX-HXUWFJFHSA-N 1 0 354.498 2.372 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N[C@H]2CCCC[C@H]2C[NH3+])cc1Br ZINC000517370392 562087220 /nfs/dbraw/zinc/08/72/20/562087220.db2.gz XQEVWBMDVQQSGE-FZMZJTMJSA-N 1 0 372.288 2.117 20 30 FEEDRO C[C@@H](Oc1ccccc1C#N)C(=O)N1CCC(C)(C[NH+]2CCOCC2)CC1 ZINC000371362773 557161002 /nfs/dbraw/zinc/16/10/02/557161002.db2.gz APIRBBYDCKEDOE-QGZVFWFLSA-N 1 0 371.481 2.286 20 30 FEEDRO Cc1c([C@H]2CCCN2CCS(=O)(=O)c2cccc(C#N)c2)cnn1C ZINC000371381536 557167174 /nfs/dbraw/zinc/16/71/74/557167174.db2.gz YVIHJNWQZMHPRK-GOSISDBHSA-N 1 0 358.467 2.211 20 30 FEEDRO Cc1cccn2c(CN3C[C@H](C#N)[C@@]4(C3)c3ccccc3NC4=O)cnc12 ZINC000371454634 557190329 /nfs/dbraw/zinc/19/03/29/557190329.db2.gz AUTBFIPRXQHJES-BTYIYWSLSA-N 1 0 357.417 2.488 20 30 FEEDRO C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCC(C)(C[NH+]2CCOCC2)CC1 ZINC000371553200 557220696 /nfs/dbraw/zinc/22/06/96/557220696.db2.gz LAIZHCTYSIGYIT-KRWDZBQOSA-N 1 0 371.481 2.286 20 30 FEEDRO C=C(C)CN(CC)C(=O)[C@H](C)N1CCN(C2CC[NH+](CCC)CC2)CC1 ZINC000371622009 557242034 /nfs/dbraw/zinc/24/20/34/557242034.db2.gz RSAVTIQEYNTPGB-IBGZPJMESA-N 1 0 364.578 2.292 20 30 FEEDRO N#Cc1cc(NC(=O)C(=O)N2CCC[C@H]([NH+]3CCCCC3)C2)ccc1F ZINC000371872885 557316262 /nfs/dbraw/zinc/31/62/62/557316262.db2.gz OXSURGZGHDCOSN-INIZCTEOSA-N 1 0 358.417 2.113 20 30 FEEDRO C[N@@H+]1CCCC[C@H]1CN1CCN(Cc2ccc(C#N)cc2[N+](=O)[O-])CC1 ZINC000518381152 562110076 /nfs/dbraw/zinc/11/00/76/562110076.db2.gz ISPOTSDUCYXERM-SFHVURJKSA-N 1 0 357.458 2.068 20 30 FEEDRO C#CCCCCNC(=O)c1nnn(-c2cccc3c2CC[N@@H+](CC)C3)c1C ZINC000371926687 557330418 /nfs/dbraw/zinc/33/04/18/557330418.db2.gz BBVGWVSKPHGZBA-UHFFFAOYSA-N 1 0 365.481 2.487 20 30 FEEDRO C[NH+](C)C[C@H]1CN(CC(=O)NCc2ccc(C#N)cc2)c2ccccc2O1 ZINC000372001332 557353500 /nfs/dbraw/zinc/35/35/00/557353500.db2.gz LWPWDHQTXDWJGU-SFHVURJKSA-N 1 0 364.449 2.004 20 30 FEEDRO CN(CCC#N)c1ccc(C[NH2+]C[C@]2(N3CCOCC3)CCCOC2)cc1 ZINC000372006188 557354160 /nfs/dbraw/zinc/35/41/60/557354160.db2.gz IAEAQVKRIOBLOY-OAQYLSRUSA-N 1 0 372.513 2.007 20 30 FEEDRO Cc1ncc(S(=O)(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1C#N ZINC000518871991 562120042 /nfs/dbraw/zinc/12/00/42/562120042.db2.gz BVEBSUIICGFMTK-HUUCEWRRSA-N 1 0 362.499 2.193 20 30 FEEDRO CC(C)NC(=O)CN1CCC[N@H+](Cc2ccc(N(C)CCC#N)cc2)CC1 ZINC000372392242 557459366 /nfs/dbraw/zinc/45/93/66/557459366.db2.gz UEEFAPVTDMGHNZ-UHFFFAOYSA-N 1 0 371.529 2.069 20 30 FEEDRO C[C@H](C#N)Oc1ccc(C[NH+]2CCC(CC(=O)N3CCOCC3)CC2)cc1 ZINC000372413573 557464585 /nfs/dbraw/zinc/46/45/85/557464585.db2.gz NZOCKPDYVVZOEL-QGZVFWFLSA-N 1 0 371.481 2.438 20 30 FEEDRO Cc1nc(C#N)c(N2CCN(C(=O)C[NH2+][C@@]3(C)CCCC[C@@H]3C)CC2)o1 ZINC000519586731 562135816 /nfs/dbraw/zinc/13/58/16/562135816.db2.gz RVHGILDFWQMCRX-LIRRHRJNSA-N 1 0 359.474 2.062 20 30 FEEDRO C[NH+](C)C[C@@H]1CN(C(=O)Cc2ccc(OCC#N)cc2)c2ccccc2O1 ZINC000372788075 557562519 /nfs/dbraw/zinc/56/25/19/557562519.db2.gz ZVSUELXWFAXIOU-GOSISDBHSA-N 1 0 365.433 2.487 20 30 FEEDRO C[C@@H]1C[N@H+](CCCNC(=O)[C@]2(C#N)CCc3ccccc3C2)CCCO1 ZINC000372894315 557583798 /nfs/dbraw/zinc/58/37/98/557583798.db2.gz ZCDPBVVPUTZLGX-DYESRHJHSA-N 1 0 355.482 2.302 20 30 FEEDRO CC(C)(C#N)c1ccccc1CN1C(=O)N[C@]2(CCCC[C@@H]2C[NH3+])C1=O ZINC000519713745 562141169 /nfs/dbraw/zinc/14/11/69/562141169.db2.gz OBYOIRHNDBIMDV-QRWLVFNGSA-N 1 0 354.454 2.427 20 30 FEEDRO C=CCN1CC(=O)N(CC2CC[NH+](Cc3ccc(OC)cc3)CC2)C1=O ZINC000372914781 557587674 /nfs/dbraw/zinc/58/76/74/557587674.db2.gz BFSGBTRDEVYORM-UHFFFAOYSA-N 1 0 357.454 2.357 20 30 FEEDRO CCC[NH+]1CCC(N2CCN(c3cc(C#N)ccc3[N+](=O)[O-])CC2)CC1 ZINC000372944318 557594033 /nfs/dbraw/zinc/59/40/33/557594033.db2.gz APHVRTPHQVCLKV-UHFFFAOYSA-N 1 0 357.458 2.463 20 30 FEEDRO CCCN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1cccc(Br)c1C#N ZINC000519768707 562143380 /nfs/dbraw/zinc/14/33/80/562143380.db2.gz LVBCLLVOEAHSAP-LLVKDONJSA-N 1 0 372.288 2.083 20 30 FEEDRO CN1C(=O)N[C@]2(CCC[C@H]2C[NH2+]Cc2ccc(F)c(C#N)c2Cl)C1=O ZINC000372993772 557605764 /nfs/dbraw/zinc/60/57/64/557605764.db2.gz WGILZOKUOGEXHF-GTNSWQLSSA-N 1 0 364.808 2.161 20 30 FEEDRO Cc1cccc(NC(=O)C(=O)N2CCCC3(CC[NH+](C)CC3)C2)c1C#N ZINC000372996354 557606068 /nfs/dbraw/zinc/60/60/68/557606068.db2.gz BZVHZFPUWFOBEP-UHFFFAOYSA-N 1 0 354.454 2.140 20 30 FEEDRO Cc1cc(S(=O)(=O)N2C[C@@H](C[NH+](C)C)Oc3ccccc32)ccc1C#N ZINC000373046608 557616191 /nfs/dbraw/zinc/61/61/91/557616191.db2.gz OJUGEBHMWSXHAK-MRXNPFEDSA-N 1 0 371.462 2.385 20 30 FEEDRO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CC[C@@](O)(c3ccc(F)cc3)C2)cc1 ZINC000373200080 557648439 /nfs/dbraw/zinc/64/84/39/557648439.db2.gz CTRCVCYJYZXWQL-QUCCMNQESA-N 1 0 356.397 2.031 20 30 FEEDRO COC(=O)C1CCN(C(=O)C[N@@H+](Cc2ccc(C#N)cc2)CC(C)C)CC1 ZINC000520173487 562149806 /nfs/dbraw/zinc/14/98/06/562149806.db2.gz MWWFOANVONFABN-UHFFFAOYSA-N 1 0 371.481 2.428 20 30 FEEDRO C[C@@H](C(=O)N1CCCc2ccccc21)[NH+]1CCC(n2cnc(C#N)n2)CC1 ZINC000373402747 557687615 /nfs/dbraw/zinc/68/76/15/557687615.db2.gz CNSNLDQBGPFEMK-HNNXBMFYSA-N 1 0 364.453 2.155 20 30 FEEDRO CCc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(n3cnc(C#N)n3)CC2)cc1 ZINC000373413710 557689037 /nfs/dbraw/zinc/68/90/37/557689037.db2.gz SIZFRPFFXSBDFT-CQSZACIVSA-N 1 0 352.442 2.376 20 30 FEEDRO N#C[C@@H]1COCCN1C(=O)[C@H]1CC[N@H+](C[C@H]2CCCc3ccccc32)C1 ZINC000373506643 557707220 /nfs/dbraw/zinc/70/72/20/557707220.db2.gz MVINSZBNPKMXRT-CEXWTWQISA-N 1 0 353.466 2.179 20 30 FEEDRO N#C[C@@H]1COCCN1C(=O)[C@@H]1CC[N@H+](C[C@@H]2CCCc3ccccc32)C1 ZINC000373506646 557707373 /nfs/dbraw/zinc/70/73/73/557707373.db2.gz MVINSZBNPKMXRT-IPMKNSEASA-N 1 0 353.466 2.179 20 30 FEEDRO Cc1n[nH]c(C)c1CC(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000373747651 557750679 /nfs/dbraw/zinc/75/06/79/557750679.db2.gz WVRKBUXZBRSNSR-UHFFFAOYSA-N 1 0 351.454 2.244 20 30 FEEDRO Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCCC[C@@H]1C[NH+](C)C ZINC000520496542 562157577 /nfs/dbraw/zinc/15/75/77/562157577.db2.gz RULUWSQMWLVWKS-QGZVFWFLSA-N 1 0 368.485 2.093 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N[C@H]2CC(=O)N(Cc3ccccc3)[C@H]2C)CC1 ZINC000373948177 557793798 /nfs/dbraw/zinc/79/37/98/557793798.db2.gz AGUAEWNYBGDIAE-LPHOPBHVSA-N 1 0 370.497 2.126 20 30 FEEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(OC2CCC(C)CC2)CC1 ZINC000373950524 557794792 /nfs/dbraw/zinc/79/47/92/557794792.db2.gz QBHQDUUGUVZBQE-HWOWSKLDSA-N 1 0 351.491 2.446 20 30 FEEDRO N#CC1(CCC[NH+]2CCC(C(=O)NCC(F)(F)F)CC2)CCOCC1 ZINC000520955651 562166510 /nfs/dbraw/zinc/16/65/10/562166510.db2.gz BXBMDYZRJCVNHS-UHFFFAOYSA-N 1 0 361.408 2.477 20 30 FEEDRO COc1cc(C#N)ccc1OCCN1CCOC[C@H]1c1c(C)nn(C)c1C ZINC000374497194 557891626 /nfs/dbraw/zinc/89/16/26/557891626.db2.gz PEVWIHVITBBRLL-KRWDZBQOSA-N 1 0 370.453 2.370 20 30 FEEDRO C[C@H](CC#N)N(C)S(=O)(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000374587956 557903232 /nfs/dbraw/zinc/90/32/32/557903232.db2.gz YKVTVWCOLWYRDP-BRWVUGGUSA-N 1 0 356.536 2.052 20 30 FEEDRO C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)Nc3ccccc3SCCC#N)C[C@@H]21 ZINC000375053974 557970728 /nfs/dbraw/zinc/97/07/28/557970728.db2.gz JHMIEICGGFVPIB-HOCLYGCPSA-N 1 0 372.494 2.183 20 30 FEEDRO N#Cc1ccc(C(=O)NC2CC[NH+](Cc3cccnc3)CC2)nc1Cl ZINC000375092825 557976734 /nfs/dbraw/zinc/97/67/34/557976734.db2.gz DKJRQVBIYKCBBM-UHFFFAOYSA-N 1 0 355.829 2.396 20 30 FEEDRO CN1CCC[C@@]2(CC[N@H+](CC(=O)Nc3cc(Cl)ccc3C#N)C2)C1=O ZINC000375254365 557999236 /nfs/dbraw/zinc/99/92/36/557999236.db2.gz YRWALYWPPUKHHX-SFHVURJKSA-N 1 0 360.845 2.094 20 30 FEEDRO C=CCN(C(=O)[C@H]1CCc2n[nH]nc2C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000375444867 558028337 /nfs/dbraw/zinc/02/83/37/558028337.db2.gz ZZWVIVIZBYEKLF-ZWKOTPCHSA-N 1 0 365.481 2.199 20 30 FEEDRO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCC[C@@H](c2ccnc(COC)n2)C1 ZINC000375759863 558078443 /nfs/dbraw/zinc/07/84/43/558078443.db2.gz PKNMZIKBYZEHLT-DLBZAZTESA-N 1 0 358.486 2.392 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)NCCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000521584832 562179319 /nfs/dbraw/zinc/17/93/19/562179319.db2.gz OHEYFUSJZUFDTH-UHFFFAOYSA-N 1 0 361.446 2.346 20 30 FEEDRO N#Cc1ccc(CN2CCC([NH2+]C[C@@H]3CN4CCCC[C@@H]4CO3)CC2)cc1 ZINC000376178696 558137141 /nfs/dbraw/zinc/13/71/41/558137141.db2.gz SVWJWZUPAIKIKP-FGZHOGPDSA-N 1 0 368.525 2.366 20 30 FEEDRO CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCC(c2nnc3cc(C)ccn32)CC1 ZINC000376231555 558145262 /nfs/dbraw/zinc/14/52/62/558145262.db2.gz JADDSCNLTGQWMR-MRXNPFEDSA-N 1 0 368.485 2.225 20 30 FEEDRO Cn1cc(C[NH2+][C@H]2CCN(c3ccccc3OC(F)F)C2=O)cc1C#N ZINC000376453615 558175255 /nfs/dbraw/zinc/17/52/55/558175255.db2.gz GMTSJFRWGGQNTK-AWEZNQCLSA-N 1 0 360.364 2.393 20 30 FEEDRO C#CC[C@H](Cc1ccccc1)NC(=O)N=c1ccn(C2CC[NH+](C)CC2)[nH]1 ZINC000376614204 558198144 /nfs/dbraw/zinc/19/81/44/558198144.db2.gz PXDRFPDDDAYOIG-GOSISDBHSA-N 1 0 365.481 2.906 20 30 FEEDRO CC(C)C[N@H+](CC(=O)NC(=O)NCC(F)(F)F)Cc1ccc(C#N)cc1 ZINC000521821664 562184085 /nfs/dbraw/zinc/18/40/85/562184085.db2.gz PENJXKUBZHPOTN-UHFFFAOYSA-N 1 0 370.375 2.404 20 30 FEEDRO C[N@@H+]1CC[C@@H](CNC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)[C@@H]1c1cccnc1 ZINC000376730323 558214208 /nfs/dbraw/zinc/21/42/08/558214208.db2.gz WXKDPNNLUTXEFQ-HBMCJLEFSA-N 1 0 373.460 2.445 20 30 FEEDRO Cn1cc(C[NH2+][C@H]2CCc3nnc(-c4ccc(F)cc4)n3C2)cc1C#N ZINC000377023976 558253057 /nfs/dbraw/zinc/25/30/57/558253057.db2.gz DSURDOWVRACZEP-INIZCTEOSA-N 1 0 350.401 2.399 20 30 FEEDRO CN(C1CCN(c2cc[nH+]cc2)CC1)S(=O)(=O)Cc1ccc(C#N)cc1 ZINC000377382531 558330350 /nfs/dbraw/zinc/33/03/50/558330350.db2.gz LPPCIIPBXSJOTQ-UHFFFAOYSA-N 1 0 370.478 2.384 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N2CCC[C@H](c3nnc4n3CCCCC4)C2)CC1 ZINC000377453391 558343788 /nfs/dbraw/zinc/34/37/88/558343788.db2.gz GGOHPZSJGYZHRA-SFHVURJKSA-N 1 0 369.513 2.056 20 30 FEEDRO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H](N2CCCC2=O)C1 ZINC000522098533 562191378 /nfs/dbraw/zinc/19/13/78/562191378.db2.gz OJGUONTZRGRBNT-RTBURBONSA-N 1 0 358.482 2.242 20 30 FEEDRO CC(C)(C#N)CCS(=O)(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000377838815 558432588 /nfs/dbraw/zinc/43/25/88/558432588.db2.gz CGTWRHGEPRDIJZ-UHFFFAOYSA-N 1 0 350.488 2.157 20 30 FEEDRO C[NH+](C)C[C@@H]1CN(S(=O)(=O)CCC(C)(C)C#N)c2ccccc2O1 ZINC000377889978 558442614 /nfs/dbraw/zinc/44/26/14/558442614.db2.gz RLHFVBOFDXVBLN-CQSZACIVSA-N 1 0 351.472 2.085 20 30 FEEDRO CC[C@H](C#N)Oc1cc(CNC(=O)N2CCn3cncc3C2)ccc1OC ZINC000378067909 558473154 /nfs/dbraw/zinc/47/31/54/558473154.db2.gz JACCPIGVFWXDCK-MRXNPFEDSA-N 1 0 369.425 2.298 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)NC[C@@]2(COC)OCCc3ccccc32)CC1 ZINC000378079425 558475926 /nfs/dbraw/zinc/47/59/26/558475926.db2.gz ZPAZXNSINFSXJG-NRFANRHFSA-N 1 0 373.497 2.051 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)NCc2ccccc2C[NH+]2CCCCC2)cn1 ZINC000523111528 562208472 /nfs/dbraw/zinc/20/84/72/562208472.db2.gz IDKHMSBXSTXOCL-UHFFFAOYSA-N 1 0 370.478 2.418 20 30 FEEDRO C[C@H]1COCCN(CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC000378291894 558521500 /nfs/dbraw/zinc/52/15/00/558521500.db2.gz QUPCUJDSRLUHCR-CQSZACIVSA-N 1 0 354.372 2.141 20 30 FEEDRO C[C@H]1CN(C(=O)/C=C/c2ccccc2C#N)CCN1C1CC[NH+](C)CC1 ZINC000378366885 558540648 /nfs/dbraw/zinc/54/06/48/558540648.db2.gz PSPVDHJCIMCGDH-OZSKJFCKSA-N 1 0 352.482 2.198 20 30 FEEDRO N#Cc1ccc(OC[C@@H](O)C[NH2+][C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000381898399 558603986 /nfs/dbraw/zinc/60/39/86/558603986.db2.gz RASPJMNJDPTVGY-PMACEKPBSA-N 1 0 351.450 2.162 20 30 FEEDRO C[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)n1cnc(C#N)n1 ZINC000524181593 562225008 /nfs/dbraw/zinc/22/50/08/562225008.db2.gz LHQPXSCSATYKKD-MIGBEJBISA-N 1 0 364.453 2.023 20 30 FEEDRO Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N3CCC[C@@H]([NH+](C)C)CC3)C2)n1 ZINC000408277760 558663448 /nfs/dbraw/zinc/66/34/48/558663448.db2.gz RDZWMMVBNCJRMN-RTBURBONSA-N 1 0 369.513 2.421 20 30 FEEDRO CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000409529489 558700619 /nfs/dbraw/zinc/70/06/19/558700619.db2.gz PFASXFWIARAFGD-CABCVRRESA-N 1 0 370.544 2.201 20 30 FEEDRO CCN(C(=O)[C@H](C)n1cnc(C#N)n1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000409841665 558722175 /nfs/dbraw/zinc/72/21/75/558722175.db2.gz XGQYPUOUWUMMJB-SOLBZPMBSA-N 1 0 366.469 2.395 20 30 FEEDRO CCN(Cc1ccc(C[NH+](C)C)cc1)S(=O)(=O)N(CC)C[C@H](C)C#N ZINC000410154505 558742578 /nfs/dbraw/zinc/74/25/78/558742578.db2.gz KFRJCQRNNLGFLK-MRXNPFEDSA-N 1 0 366.531 2.296 20 30 FEEDRO C[NH+](C)CCNC(=O)c1cccc(CNc2c(C#N)nnc3ccccc32)c1 ZINC000524841159 562235929 /nfs/dbraw/zinc/23/59/29/562235929.db2.gz AZXCTEMLGJLHRR-UHFFFAOYSA-N 1 0 374.448 2.405 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]([C@@H](C)CC)C(F)(F)F)CC1 ZINC000411229117 558856770 /nfs/dbraw/zinc/85/67/70/558856770.db2.gz PVLQWBBSWSPHKV-JSGCOSHPSA-N 1 0 363.424 2.236 20 30 FEEDRO C=CC[N@@H+](CCOC[C@H]1CCCO1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000525487017 562249251 /nfs/dbraw/zinc/24/92/51/562249251.db2.gz QZYCKIYTPUZHTQ-QFBILLFUSA-N 1 0 357.458 2.407 20 30 FEEDRO CCC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2)CC(N)=O ZINC000411754688 558956964 /nfs/dbraw/zinc/95/69/64/558956964.db2.gz FMZQWSQSKAQRBZ-LBPRGKRZSA-N 1 0 362.499 2.270 20 30 FEEDRO CC(=O)N1CCN(C(=O)C2CC[NH+](CCC3(C#N)CCCCC3)CC2)CC1 ZINC000411793347 558964046 /nfs/dbraw/zinc/96/40/46/558964046.db2.gz IOMURPWHNCGDDN-UHFFFAOYSA-N 1 0 374.529 2.253 20 30 FEEDRO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CC[C@](C(N)=O)(c2ccccc2)C1 ZINC000411965637 558996562 /nfs/dbraw/zinc/99/65/62/558996562.db2.gz ARADXCICWYUQLN-LJQANCHMSA-N 1 0 350.378 2.095 20 30 FEEDRO CCN1CC[NH+](C[C@H](C)CNC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)CC1 ZINC000412177251 559018369 /nfs/dbraw/zinc/01/83/69/559018369.db2.gz RFFNXMWHSFNYBU-LSTHTHJFSA-N 1 0 354.498 2.052 20 30 FEEDRO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1ccc(C#N)nc1 ZINC000412679777 559050262 /nfs/dbraw/zinc/05/02/62/559050262.db2.gz XPJALRIVJYLXKO-UYAOXDASSA-N 1 0 364.449 2.220 20 30 FEEDRO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1cnccc1C#N ZINC000413994873 559145669 /nfs/dbraw/zinc/14/56/69/559145669.db2.gz SMGCXMJPGCETQL-UYAOXDASSA-N 1 0 364.449 2.220 20 30 FEEDRO CN(C)C(=O)[C@H]1CC[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000414499182 559168812 /nfs/dbraw/zinc/16/88/12/559168812.db2.gz OBQDERYKGZSWQY-KRWDZBQOSA-N 1 0 351.454 2.374 20 30 FEEDRO C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000415117906 559206166 /nfs/dbraw/zinc/20/61/66/559206166.db2.gz CPEDYBSVDYCZDZ-BXKDBHETSA-N 1 0 354.357 2.394 20 30 FEEDRO N#Cc1ccc(Oc2cccc(NC(=O)C(=O)N3CCC[NH2+]CC3)c2)cc1 ZINC000415312216 559223289 /nfs/dbraw/zinc/22/32/89/559223289.db2.gz CIIBCNZJCKDTQO-UHFFFAOYSA-N 1 0 364.405 2.111 20 30 FEEDRO N#Cc1ccccc1Oc1ccc(NC(=O)C(=O)N[C@H]2CCC[NH2+]C2)cc1 ZINC000415321424 559224064 /nfs/dbraw/zinc/22/40/64/559224064.db2.gz YGUQNBTZKPSCHD-INIZCTEOSA-N 1 0 364.405 2.157 20 30 FEEDRO C[NH2+][C@@H]1CCCN(C(=O)C(=O)Nc2cccc(C#Cc3ccccc3)c2)C1 ZINC000415354282 559226789 /nfs/dbraw/zinc/22/67/89/559226789.db2.gz DXIRXPJMOMNHJO-HXUWFJFHSA-N 1 0 361.445 2.235 20 30 FEEDRO N#CCCCOc1cccc(NC(=O)C(=O)N[C@@H](C[NH3+])C2CCCCC2)c1 ZINC000415432027 559235953 /nfs/dbraw/zinc/23/59/53/559235953.db2.gz VJKJVPFQPJWOLN-SFHVURJKSA-N 1 0 372.469 2.331 20 30 FEEDRO CC(C)(C#N)c1ccc(NC(=O)C(=O)N[C@H](C[NH3+])C2CCCCC2)cc1 ZINC000415435208 559236606 /nfs/dbraw/zinc/23/66/06/559236606.db2.gz YWNQQODPMIFGKS-QGZVFWFLSA-N 1 0 356.470 2.450 20 30 FEEDRO C[C@]1(C[NH3+])CCN(C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)C1 ZINC000415459767 559239493 /nfs/dbraw/zinc/23/94/93/559239493.db2.gz MWPRHBNUFFUGGK-QGZVFWFLSA-N 1 0 358.833 2.600 20 30 FEEDRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 ZINC000415460303 559239565 /nfs/dbraw/zinc/23/95/65/559239565.db2.gz NCFSHYNNQUDKBW-WFASDCNBSA-N 1 0 356.405 2.617 20 30 FEEDRO C[C@H]1CCN(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)[C@@H](C[NH3+])C1 ZINC000415465324 559240028 /nfs/dbraw/zinc/24/00/28/559240028.db2.gz SIRWJUNDWRBXOY-SWLSCSKDSA-N 1 0 372.860 2.988 20 30 FEEDRO N#Cc1ccc(-n2ccc(NC(=O)N[C@@H]3CCCC[C@@H]3C[NH3+])n2)c(Cl)c1 ZINC000415471030 559240850 /nfs/dbraw/zinc/24/08/50/559240850.db2.gz ZTHKEAUUHXJOBF-UKRRQHHQSA-N 1 0 372.860 3.036 20 30 FEEDRO N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)N[C@H]2CCC[C@@H]([NH3+])C2)n1 ZINC000415471173 559240854 /nfs/dbraw/zinc/24/08/54/559240854.db2.gz ZYIWMFREMZYNGT-KGLIPLIRSA-N 1 0 358.833 2.789 20 30 FEEDRO CN(CC(C)(C)C[NH3+])C(=O)C(=O)Nc1ccccc1C#Cc1ccccc1 ZINC000415488764 559242496 /nfs/dbraw/zinc/24/24/96/559242496.db2.gz VWDOAGASYXCAOA-UHFFFAOYSA-N 1 0 363.461 2.468 20 30 FEEDRO N#Cc1ccc(Cl)c(NC(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)c1 ZINC000415535961 559247404 /nfs/dbraw/zinc/24/74/04/559247404.db2.gz DUEGIQSGHLHNPG-HNNXBMFYSA-N 1 0 360.845 2.141 20 30 FEEDRO N#Cc1ccc(Oc2ccc(NC(=O)C(=O)NC[C@H]([NH3+])C3CC3)cc2)cc1 ZINC000415541347 559247813 /nfs/dbraw/zinc/24/78/13/559247813.db2.gz QUPQNZYOAYJCEB-SFHVURJKSA-N 1 0 364.405 2.143 20 30 FEEDRO N#CCCCN1C(=O)CCc2cc(NC(=O)NC[C@@H]3CCC[NH2+]3)ccc21 ZINC000415556683 559249388 /nfs/dbraw/zinc/24/93/88/559249388.db2.gz GZNQHLXSPDJATG-INIZCTEOSA-N 1 0 355.442 2.143 20 30 FEEDRO C[C@H](CCCC[NH3+])NC(=O)Nc1ccc(S(=O)(=O)[C@@H](C)C#N)cc1 ZINC000415604257 559254521 /nfs/dbraw/zinc/25/45/21/559254521.db2.gz VKYUVRLQYZUVOP-OLZOCXBDSA-N 1 0 352.460 2.011 20 30 FEEDRO CO[C@@H]1CCN(C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)[C@H](C[NH3+])C1 ZINC000415661625 559259188 /nfs/dbraw/zinc/25/91/88/559259188.db2.gz VQWMOAVWCUDIDR-QWHCGFSZSA-N 1 0 372.347 2.427 20 30 FEEDRO CO[C@@H]1CCN(C(=O)Nc2ccc(C#N)c(Br)c2)[C@@H](C[NH3+])C1 ZINC000415687014 559261843 /nfs/dbraw/zinc/26/18/43/559261843.db2.gz FCOKELPRAPZOOX-CHWSQXEVSA-N 1 0 367.247 2.291 20 30 FEEDRO N#Cc1ccc(NC(=O)C(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)cc1C(F)(F)F ZINC000415811701 559273944 /nfs/dbraw/zinc/27/39/44/559273944.db2.gz PAWNRFSQCILBPY-ZYHUDNBSSA-N 1 0 368.359 2.149 20 30 FEEDRO CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000415848557 559278182 /nfs/dbraw/zinc/27/81/82/559278182.db2.gz DKIXAHGTQBIWQM-MRXNPFEDSA-N 1 0 374.872 2.387 20 30 FEEDRO CC(C)(C)c1cc(C#N)c(NC(=O)C(=O)NCCC2=CC[NH2+]CC2)s1 ZINC000415903854 559281952 /nfs/dbraw/zinc/28/19/52/559281952.db2.gz YZBOSDRXKGOLCY-UHFFFAOYSA-N 1 0 360.483 2.282 20 30 FEEDRO CC[NH+](CC)C[C@@H](C)NS(=O)(=O)c1cc(Br)ccc1C#N ZINC000416469273 559315607 /nfs/dbraw/zinc/31/56/07/559315607.db2.gz DAMATLJEOBQXSZ-LLVKDONJSA-N 1 0 374.304 2.329 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)NC[C@@](CC)(C(=O)OC)c2ccccc2)CC1 ZINC000416682611 559329594 /nfs/dbraw/zinc/32/95/94/559329594.db2.gz JSKWHRCBBNTENE-OAQYLSRUSA-N 1 0 373.497 2.457 20 30 FEEDRO CCCN(C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1)[C@@H]1CC[NH2+]C1 ZINC000417569030 559367116 /nfs/dbraw/zinc/36/71/16/559367116.db2.gz BYTPGIIZFRSUKW-DLBZAZTESA-N 1 0 373.476 2.450 20 30 FEEDRO C[C@H](NC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1)[C@@H]1CCC[NH2+]C1 ZINC000417571067 559367191 /nfs/dbraw/zinc/36/71/91/559367191.db2.gz FBGBHDCQCHVNJN-UAGQMJEPSA-N 1 0 373.476 2.353 20 30 FEEDRO N#Cc1ccc(N2CCC[C@H](NC(=O)N[C@@H]3CCC[C@@H]3C[NH3+])C2)c(F)c1 ZINC000417581305 559367828 /nfs/dbraw/zinc/36/78/28/559367828.db2.gz SKXDQMIVRLPMBL-HLLBOEOZSA-N 1 0 359.449 2.093 20 30 FEEDRO CC(C)C[C@@H](C[NH3+])NC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000417583957 559367934 /nfs/dbraw/zinc/36/79/34/559367934.db2.gz XEZVFQZSOAQVTB-HOTGVXAUSA-N 1 0 361.465 2.339 20 30 FEEDRO C=C(C)[C@H](NC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1)c1ccc(F)c(F)c1 ZINC000418030381 559387267 /nfs/dbraw/zinc/38/72/67/559387267.db2.gz MLNVQFJWUOCQAT-QAPCUYQASA-N 1 0 364.440 2.271 20 30 FEEDRO N#Cc1c(F)cccc1N1CCN(C(=O)NCC2([NH3+])CCCCC2)CC1 ZINC000418294185 559396643 /nfs/dbraw/zinc/39/66/43/559396643.db2.gz GXUIAOLINUMYIG-UHFFFAOYSA-N 1 0 359.449 2.191 20 30 FEEDRO N#Cc1cccc(NC(=O)C2CCN(C(=O)N[C@@H]3CCC[C@@H]([NH3+])C3)CC2)c1 ZINC000418570640 559406631 /nfs/dbraw/zinc/40/66/31/559406631.db2.gz DBHZJNNHEKCCAI-SJLPKXTDSA-N 1 0 369.469 2.188 20 30 FEEDRO C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000419054800 559426384 /nfs/dbraw/zinc/42/63/84/559426384.db2.gz IKAIRJOXZMFSQU-QZTJIDSGSA-N 1 0 357.498 2.184 20 30 FEEDRO C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000419057025 559426467 /nfs/dbraw/zinc/42/64/67/559426467.db2.gz NCDGYWFJKDKYMV-HXUWFJFHSA-N 1 0 369.509 2.281 20 30 FEEDRO CC[C@](C[NH2+][C@@H](C)C(=O)NC1(C#N)CCC1)(C(=O)OC)c1ccccc1 ZINC000419365870 559439670 /nfs/dbraw/zinc/43/96/70/559439670.db2.gz YNOBBHGGZVHIKV-MGPUTAFESA-N 1 0 357.454 2.048 20 30 FEEDRO N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000419603263 559449393 /nfs/dbraw/zinc/44/93/93/559449393.db2.gz BAZYHEFALVMHJC-HKUYNNGSSA-N 1 0 356.470 2.082 20 30 FEEDRO N#CC1(CNC(=O)NCC2(O)CC[NH+](Cc3ccccc3)CC2)CCC1 ZINC000419652548 559451793 /nfs/dbraw/zinc/45/17/93/559451793.db2.gz XIMRJVOUVOYEJD-UHFFFAOYSA-N 1 0 356.470 2.007 20 30 FEEDRO C=C(C)[C@@H](NC(=O)C(=O)N1CC[NH2+]C[C@@H]1CCC)c1ccc(F)c(F)c1 ZINC000419679880 559453652 /nfs/dbraw/zinc/45/36/52/559453652.db2.gz QEOBZQGRSCHSIR-WMLDXEAASA-N 1 0 365.424 2.299 20 30 FEEDRO C=C(C)[C@H](NC(=O)C(=O)NCC1([NH3+])CCCCC1)c1ccc(F)c(F)c1 ZINC000419686604 559454099 /nfs/dbraw/zinc/45/40/99/559454099.db2.gz ZOCLFCNOSBGMGL-INIZCTEOSA-N 1 0 365.424 2.476 20 30 FEEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000419888290 559463297 /nfs/dbraw/zinc/46/32/97/559463297.db2.gz LREJBHRXXLHGBE-CHWSQXEVSA-N 1 0 369.918 2.420 20 30 FEEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000419980846 559467560 /nfs/dbraw/zinc/46/75/60/559467560.db2.gz RMIFVXIEYXPJNY-CYBMUJFWSA-N 1 0 369.918 2.422 20 30 FEEDRO C=CCN(CCc1ccccc1)C(=O)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000420157179 559475128 /nfs/dbraw/zinc/47/51/28/559475128.db2.gz GDDLOVBVOBRIQC-SFHVURJKSA-N 1 0 357.498 2.138 20 30 FEEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)NCCC1=CC[NH2+]CC1 ZINC000420165624 559475380 /nfs/dbraw/zinc/47/53/80/559475380.db2.gz NUIYIMUQHRXIIZ-UHFFFAOYSA-N 1 0 367.902 2.342 20 30 FEEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000420181699 559475930 /nfs/dbraw/zinc/47/59/30/559475930.db2.gz YEIXELAIXGDGII-GOSISDBHSA-N 1 0 370.497 2.191 20 30 FEEDRO CCCC[C@@H](C[NH3+])NS(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000420464512 559488949 /nfs/dbraw/zinc/48/89/49/559488949.db2.gz USASDHFVYNBCBB-NSHDSACASA-N 1 0 360.277 2.117 20 30 FEEDRO C[C@@H]1CCN(S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)C[C@@H]1C[NH3+] ZINC000420480785 559489744 /nfs/dbraw/zinc/48/97/44/559489744.db2.gz PKWWGZJTOXJEIE-PWSUYJOCSA-N 1 0 361.389 2.182 20 30 FEEDRO C[NH+](C)C1CCC(NC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)CC1 ZINC000420892494 559509686 /nfs/dbraw/zinc/50/96/86/559509686.db2.gz CJIRVKGAQRFVKZ-UHFFFAOYSA-N 1 0 369.513 2.258 20 30 FEEDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)COc1cccc(Br)c1C#N ZINC000421710999 559550467 /nfs/dbraw/zinc/55/04/67/559550467.db2.gz NLXWYIWBXWKRFB-GFCCVEGCSA-N 1 0 366.259 2.252 20 30 FEEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000422105608 559565565 /nfs/dbraw/zinc/56/55/65/559565565.db2.gz QEWOKKRRHVFXRO-CYBMUJFWSA-N 1 0 369.918 2.469 20 30 FEEDRO CCC[C@H]1CN(C(=O)NCc2ccc(C#N)s2)CC[N@@H+]1CCOC ZINC000422219638 559572169 /nfs/dbraw/zinc/57/21/69/559572169.db2.gz OVCYGWGDKWMGGC-AWEZNQCLSA-N 1 0 350.488 2.262 20 30 FEEDRO C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1 ZINC000422422010 559587141 /nfs/dbraw/zinc/58/71/41/559587141.db2.gz FCUTYASMZGRBMR-LPHOPBHVSA-N 1 0 355.482 2.057 20 30 FEEDRO C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000422533401 559593381 /nfs/dbraw/zinc/59/33/81/559593381.db2.gz XCIKRXXOLZZZRS-MOPGFXCFSA-N 1 0 357.498 2.090 20 30 FEEDRO C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000422546661 559594265 /nfs/dbraw/zinc/59/42/65/559594265.db2.gz UYORYZSAWUATOX-PMACEKPBSA-N 1 0 369.509 2.234 20 30 FEEDRO C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000422547725 559594441 /nfs/dbraw/zinc/59/44/41/559594441.db2.gz XNWIZNSAROLGTM-VQTJNVASSA-N 1 0 371.525 2.480 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000423019662 559615248 /nfs/dbraw/zinc/61/52/48/559615248.db2.gz WQYCMVYCCCSCET-UHFFFAOYSA-N 1 0 361.511 2.255 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000423019175 559615266 /nfs/dbraw/zinc/61/52/66/559615266.db2.gz UJEMZGJKHQYXGL-KRWDZBQOSA-N 1 0 361.511 2.253 20 30 FEEDRO C=C(C)CN(Cc1ccccc1)C(=O)C(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000423367996 559626848 /nfs/dbraw/zinc/62/68/48/559626848.db2.gz MTSOGGUCWZSZRP-WOJBJXKFSA-N 1 0 369.509 2.439 20 30 FEEDRO Cc1ccc(NC(=O)NC[C@@H]2CCCN(C(=O)[C@H]([NH3+])CCCC#N)C2)cc1 ZINC000424113894 559655157 /nfs/dbraw/zinc/65/51/57/559655157.db2.gz OXDSWPVQDMCHHS-FUHWJXTLSA-N 1 0 371.485 2.376 20 30 FEEDRO Cc1c(NC(=O)[C@H]([NH3+])CCCC#N)cccc1C(=O)N1CCSCC1 ZINC000424111406 559655188 /nfs/dbraw/zinc/65/51/88/559655188.db2.gz GJORTJDWJDURII-OAHLLOKOSA-N 1 0 360.483 2.144 20 30 FEEDRO COC(=O)c1ccc(NC(=O)[C@@H]([NH3+])CCCC#N)c(OCC(F)(F)F)c1 ZINC000424112372 559655224 /nfs/dbraw/zinc/65/52/24/559655224.db2.gz JJZSIECRCGNGJH-NSHDSACASA-N 1 0 373.331 2.374 20 30 FEEDRO C[C@@H](CNC(=O)[C@@H]([NH3+])CCCC#N)Oc1cccc(Br)c1 ZINC000424124617 559655532 /nfs/dbraw/zinc/65/55/32/559655532.db2.gz MMWIENWHXCGVLG-FZMZJTMJSA-N 1 0 354.248 2.354 20 30 FEEDRO C[NH+](C)CCNC(=O)c1cccc(CNc2c(C#N)cccc2[N+](=O)[O-])c1 ZINC000425232918 559692584 /nfs/dbraw/zinc/69/25/84/559692584.db2.gz WKOHCJIMJKFCMC-UHFFFAOYSA-N 1 0 367.409 2.370 20 30 FEEDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N(C)[C@H](C)c2cccc(C#N)c2)C1 ZINC000425386689 559699334 /nfs/dbraw/zinc/69/93/34/559699334.db2.gz POYVCMCKIOUUPY-AEFFLSMTSA-N 1 0 370.497 2.268 20 30 FEEDRO C=CCn1cc(CNC(=O)NCc2cccc(C[NH+](CC)CC)c2)nn1 ZINC000425416465 559701142 /nfs/dbraw/zinc/70/11/42/559701142.db2.gz ISBBMRDWJLKVNR-UHFFFAOYSA-N 1 0 356.474 2.305 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000425439677 559702279 /nfs/dbraw/zinc/70/22/79/559702279.db2.gz FMBQBQLWQARKAJ-AABGKKOBSA-N 1 0 357.498 2.441 20 30 FEEDRO C[C@H](c1cccc(C#N)c1)N(C)C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000425652558 559713227 /nfs/dbraw/zinc/71/32/27/559713227.db2.gz NSDWQFVZVYYFAV-MRXNPFEDSA-N 1 0 357.502 2.287 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC(=O)N[C@@H]2CCCC[C@@H]21)C(C)C ZINC000426026665 559727910 /nfs/dbraw/zinc/72/79/10/559727910.db2.gz BPTQTLKFYURONX-FGTMMUONSA-N 1 0 362.518 2.138 20 30 FEEDRO C[N@H+](Cc1ccccc1)[C@@H](CNS(=O)(=O)c1cccnc1C#N)C1CC1 ZINC000428426893 559775290 /nfs/dbraw/zinc/77/52/90/559775290.db2.gz YXYMPCXFTMNLSI-SFHVURJKSA-N 1 0 370.478 2.142 20 30 FEEDRO Cc1ccc(C)c(OC[C@H](O)C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)c1 ZINC000428781559 559783071 /nfs/dbraw/zinc/78/30/71/559783071.db2.gz GZUKCNBMLYFUSG-RTBURBONSA-N 1 0 367.449 2.463 20 30 FEEDRO CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000431062514 559833284 /nfs/dbraw/zinc/83/32/84/559833284.db2.gz QUBRSDCJJSCFIM-UHFFFAOYSA-N 1 0 371.485 2.306 20 30 FEEDRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)N[C@H](CCCC#N)c1ccccc1 ZINC000431285679 559836894 /nfs/dbraw/zinc/83/68/94/559836894.db2.gz UVZAXOURYIJWPF-IEBWSBKVSA-N 1 0 357.502 2.357 20 30 FEEDRO COc1cc(C#N)ccc1OCC[NH2+][C@H]1CCO[C@@H]1c1c(C)nn(C)c1C ZINC000431953936 559849241 /nfs/dbraw/zinc/84/92/41/559849241.db2.gz OLJPYZOGGJKHRQ-JXFKEZNVSA-N 1 0 370.453 2.416 20 30 FEEDRO C=CCN=c1[nH]cc(C(=O)N2CCC(OCC[NH+](CC)CC)CC2)s1 ZINC000433211802 559873917 /nfs/dbraw/zinc/87/39/17/559873917.db2.gz BXHUAHXRKVBCEQ-UHFFFAOYSA-N 1 0 366.531 2.704 20 30 FEEDRO C[C@H](CN1CCOCC1)[N@H+](C)CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000434711849 559907431 /nfs/dbraw/zinc/90/74/31/559907431.db2.gz RZQLPQZPQBOPJY-CQSZACIVSA-N 1 0 364.877 2.193 20 30 FEEDRO N#Cc1ccc(N2CC[NH+](CCC(=O)Nc3cc(F)cc(F)c3)CC2)nc1 ZINC000434818580 559910039 /nfs/dbraw/zinc/91/00/39/559910039.db2.gz VJGPEXNUQSIBAP-UHFFFAOYSA-N 1 0 371.391 2.382 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)CC(=O)N1CCC(C(=O)OCC)CC1 ZINC000436304972 559939498 /nfs/dbraw/zinc/93/94/98/559939498.db2.gz GFDBLCAQYBLUAD-IEZWGBDMSA-N 1 0 366.502 2.138 20 30 FEEDRO C[C@H](NS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1)[C@H]1CCC[NH2+]C1 ZINC000440359949 560009566 /nfs/dbraw/zinc/00/95/66/560009566.db2.gz QKIUOVPNXGTSCO-JQWIXIFHSA-N 1 0 361.389 2.243 20 30 FEEDRO COc1cc(C[N@H+](C)C[C@@H]2C[C@H](F)CN2Cc2ncccn2)ccc1C#N ZINC000443077108 560069641 /nfs/dbraw/zinc/06/96/41/560069641.db2.gz ZFGXYOFTXYQLMC-ROUUACIJSA-N 1 0 369.444 2.401 20 30 FEEDRO N#Cc1cccc(C2(C(=O)N3CC[C@H](OCC[NH+]4CCCC4)C3)CC2)c1 ZINC000443872817 560095133 /nfs/dbraw/zinc/09/51/33/560095133.db2.gz BCVIOVGMHBKBBV-IBGZPJMESA-N 1 0 353.466 2.303 20 30 FEEDRO Cc1cc(C[NH2+][C@@H](Cc2ccccc2)C(=O)N2CCOCC2)ccc1C#N ZINC000443994552 560098889 /nfs/dbraw/zinc/09/88/89/560098889.db2.gz LGNLRATVQUNFRN-NRFANRHFSA-N 1 0 363.461 2.426 20 30 FEEDRO N#C[C@@H]1CCC[C@H]([NH2+]C[C@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)C1 ZINC000447588433 560165044 /nfs/dbraw/zinc/16/50/44/560165044.db2.gz UKVOIFGIQGYTAD-GTAWCEEGSA-N 1 0 352.482 2.257 20 30 FEEDRO C=CCCCNC(=O)C(=O)Nc1cccc(N2CC[NH+](C(C)C)CC2)c1 ZINC000448373044 560185919 /nfs/dbraw/zinc/18/59/19/560185919.db2.gz FPZHFSHHOVXVGV-UHFFFAOYSA-N 1 0 358.486 2.238 20 30 FEEDRO CC(C)[NH+](CCNC(=O)C1CCN(C(=O)[C@@]2(C#N)C[C@H]2C)CC1)C(C)C ZINC000448805818 560200422 /nfs/dbraw/zinc/20/04/22/560200422.db2.gz PYZBBFHPYSZIKS-OXQOHEQNSA-N 1 0 362.518 2.010 20 30 FEEDRO Cc1[nH]c(C#N)cc1C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000448857578 560203162 /nfs/dbraw/zinc/20/31/62/560203162.db2.gz GHKJLGPBBBHZGN-OAHLLOKOSA-N 1 0 365.437 2.144 20 30 FEEDRO C[C@H]1C[C@]1(C#N)C(=O)NCc1cccc(OCC[N@H+](C)C2CCOCC2)c1 ZINC000448892539 560205131 /nfs/dbraw/zinc/20/51/31/560205131.db2.gz CSLSHBVAWLDJGZ-HRAATJIYSA-N 1 0 371.481 2.342 20 30 FEEDRO Cc1[nH]c(C#N)cc1C(=O)N1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000448916469 560206677 /nfs/dbraw/zinc/20/66/77/560206677.db2.gz XZOAGMCUONDJMU-UHFFFAOYSA-N 1 0 365.481 2.085 20 30 FEEDRO C[NH+](C)[C@H](CNC(=O)COc1cccc(Br)c1C#N)C1CC1 ZINC000449797645 560240276 /nfs/dbraw/zinc/24/02/76/560240276.db2.gz ZHQYAKUOXBXPNX-CQSZACIVSA-N 1 0 366.259 2.156 20 30 FEEDRO COc1c[nH+]ccc1N1CCN(c2ncc(Br)cc2C#N)CC1 ZINC000450498945 560264169 /nfs/dbraw/zinc/26/41/69/560264169.db2.gz HTPRFLHUNDIWLG-UHFFFAOYSA-N 1 0 374.242 2.446 20 30 FEEDRO CN(CC[N@H+](C)C1CC1)C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 ZINC000450704214 560270844 /nfs/dbraw/zinc/27/08/44/560270844.db2.gz UUHXNQPFROYKLX-CQSZACIVSA-N 1 0 374.872 2.117 20 30 FEEDRO C[C@@H]1CN(c2c(C#N)cnc3c(F)c(F)c(F)cc32)C[C@H](C)[N@H+]1CCO ZINC000450796936 560273713 /nfs/dbraw/zinc/27/37/13/560273713.db2.gz ROXPJQZOKPDAPY-PHIMTYICSA-N 1 0 364.371 2.415 20 30 FEEDRO CC[N@@H+]1CCC[C@@H](CN(C)C(=O)c2cc(C#N)[nH]c2C)[C@@H]1c1cnn(C)c1 ZINC000450880148 560276503 /nfs/dbraw/zinc/27/65/03/560276503.db2.gz KDAMVZYFCDYQBI-HNAYVOBHSA-N 1 0 368.485 2.474 20 30 FEEDRO C[C@H]1CCC[N@H+](CCNS(=O)(=O)c2ccc(CC#N)cc2Cl)C1 ZINC000451052702 560284806 /nfs/dbraw/zinc/28/48/06/560284806.db2.gz BEIWFMZEXLDIFL-ZDUSSCGKSA-N 1 0 355.891 2.416 20 30 FEEDRO C[NH+](C)[C@]1(CNS(=O)(=O)c2ccc(CC#N)cc2Cl)CCSC1 ZINC000451270074 560297348 /nfs/dbraw/zinc/29/73/48/560297348.db2.gz BCUXQWPIRJJUQH-HNNXBMFYSA-N 1 0 373.931 2.122 20 30 FEEDRO CO[C@H]1C[C@H]([NH2+]CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1(C)C ZINC000451512401 560311258 /nfs/dbraw/zinc/31/12/58/560311258.db2.gz XLJQSONYMDTKTB-HOTGVXAUSA-N 1 0 353.426 2.086 20 30 FEEDRO CC(=O)N1CCC[N@H+](C[C@@H]2CCCN(Cc3cccc(F)c3C#N)C2)CC1 ZINC000451529957 560312435 /nfs/dbraw/zinc/31/24/35/560312435.db2.gz OGEKYJMVIHMPKL-SFHVURJKSA-N 1 0 372.488 2.464 20 30 FEEDRO CC(C)[C@H](CO)[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)C(C)C ZINC000451603888 560317077 /nfs/dbraw/zinc/31/70/77/560317077.db2.gz XURNTQZNAYPJGD-ROUUACIJSA-N 1 0 352.500 2.211 20 30 FEEDRO CC(C)OCCOC1CC[NH+](C[C@H](O)COc2ccc(C#N)cc2)CC1 ZINC000451951092 560340264 /nfs/dbraw/zinc/34/02/64/560340264.db2.gz CBXGQIXOMSLUQR-SFHVURJKSA-N 1 0 362.470 2.204 20 30 FEEDRO C[C@@H]1CN(C(=O)COc2cccc(Br)c2C#N)C[C@H](C)[N@H+]1C ZINC000452153037 560353912 /nfs/dbraw/zinc/35/39/12/560353912.db2.gz PFKQODGFVQVBDN-TXEJJXNPSA-N 1 0 366.259 2.251 20 30 FEEDRO C=CCn1c([C@H]2CCCO2)nnc1N1CC[N@H+](CCOC)[C@@H](CCC)C1 ZINC000453414464 560386135 /nfs/dbraw/zinc/38/61/35/560386135.db2.gz NQEFGUHVLCCGKU-DLBZAZTESA-N 1 0 363.506 2.253 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2scnc2C(C)C)CC1 ZINC000453642944 560392792 /nfs/dbraw/zinc/39/27/92/560392792.db2.gz PAYGZCCHMAKPOO-UHFFFAOYSA-N 1 0 350.488 2.362 20 30 FEEDRO N#CCc1ccc(NC(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)c(Cl)c1 ZINC000453643251 560392827 /nfs/dbraw/zinc/39/28/27/560392827.db2.gz CLSIGUMCHHKFJV-HNNXBMFYSA-N 1 0 374.872 2.289 20 30 FEEDRO C[C@H]1C[C@H](NC(=O)C(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)CC[N@@H+]1C ZINC000453666051 560394895 /nfs/dbraw/zinc/39/48/95/560394895.db2.gz WBQBKQTZPVOVHB-XJKSGUPXSA-N 1 0 372.469 2.273 20 30 FEEDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(CC#N)cc2Cl)C1 ZINC000453674669 560395708 /nfs/dbraw/zinc/39/57/08/560395708.db2.gz ODVHLSURGRCCEO-AWEZNQCLSA-N 1 0 362.861 2.145 20 30 FEEDRO C[C@H](NC(=O)C(=O)Nc1cccc(CC#N)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000453704796 560398213 /nfs/dbraw/zinc/39/82/13/560398213.db2.gz TXMYZMQXEGKAQD-RDJZCZTQSA-N 1 0 368.481 2.460 20 30 FEEDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)Nc2ccc(CC#N)cc2Cl)C1 ZINC000453712744 560398817 /nfs/dbraw/zinc/39/88/17/560398817.db2.gz HQPBWTACEXNGOZ-PBHICJAKSA-N 1 0 374.872 2.287 20 30 FEEDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)Nc1ccc(CC#N)cc1Cl ZINC000453713523 560399005 /nfs/dbraw/zinc/39/90/05/560399005.db2.gz INVAYAPUVQZKEK-WBMJQRKESA-N 1 0 362.861 2.143 20 30 FEEDRO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccc(CC#N)cc1Cl ZINC000453714851 560399054 /nfs/dbraw/zinc/39/90/54/560399054.db2.gz QSHFJLRXDZKOON-LSDHHAIUSA-N 1 0 374.872 2.430 20 30 FEEDRO C[C@@H](NC(=O)C(=O)Nc1cccc(CC#N)c1)[C@H](c1ccccc1)[NH+](C)C ZINC000453730162 560400120 /nfs/dbraw/zinc/40/01/20/560400120.db2.gz BBZDMPMCUYKMSS-DNVCBOLYSA-N 1 0 364.449 2.499 20 30 FEEDRO C[C@@H](NC(=O)C(=O)Nc1cccc(CC#N)c1)[C@@H](c1ccccc1)[NH+](C)C ZINC000453730147 560400146 /nfs/dbraw/zinc/40/01/46/560400146.db2.gz BBZDMPMCUYKMSS-BEFAXECRSA-N 1 0 364.449 2.499 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](C)C(=O)Nc2cccnc2C)CC1 ZINC000454455389 560445126 /nfs/dbraw/zinc/44/51/26/560445126.db2.gz BVNJFZULAVDMLJ-HNNXBMFYSA-N 1 0 359.474 2.057 20 30 FEEDRO N#Cc1ccc(OC(F)F)c(NC(=O)NC[C@@H]2CCC[N@H+]2CCCO)c1 ZINC000454711115 560455316 /nfs/dbraw/zinc/45/53/16/560455316.db2.gz JBRGFXCWWXTJLW-ZDUSSCGKSA-N 1 0 368.384 2.128 20 30 FEEDRO CC[C@H](C)[NH+]1CCN(C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CC1 ZINC000455105485 560470382 /nfs/dbraw/zinc/47/03/82/560470382.db2.gz TWEAQSWTWYMUHE-AWEZNQCLSA-N 1 0 370.432 2.831 20 30 FEEDRO C[NH+](C)CC(C)(C)NC(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 ZINC000455117162 560470753 /nfs/dbraw/zinc/47/07/53/560470753.db2.gz ZEAJJFAEQJADDU-UHFFFAOYSA-N 1 0 360.849 2.859 20 30 FEEDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000455139423 560471486 /nfs/dbraw/zinc/47/14/86/560471486.db2.gz JLHXOTSKYYKFQK-INIZCTEOSA-N 1 0 353.430 2.135 20 30 FEEDRO CN(C)CC[N@H+](C)CCCNC(=O)Nc1ccc(CC#N)cc1Cl ZINC000455726609 560492981 /nfs/dbraw/zinc/49/29/81/560492981.db2.gz FAMGFGYDRONKJJ-UHFFFAOYSA-N 1 0 351.882 2.411 20 30 FEEDRO C=CCC[C@H](NC(=O)CC1([NH+]2CCOCC2)CCCC1)C(=O)OCC ZINC000456630116 560526456 /nfs/dbraw/zinc/52/64/56/560526456.db2.gz PXVQYBGZEMLFND-INIZCTEOSA-N 1 0 352.475 2.036 20 30 FEEDRO C[C@@H](Cc1cnn(C)c1)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000457446399 560567096 /nfs/dbraw/zinc/56/70/96/560567096.db2.gz DTMYDKQXXGEMLK-INIZCTEOSA-N 1 0 353.470 2.061 20 30 FEEDRO C=C(C)[C@H]1OCCC[C@H]1C(=O)Nc1ccc(OC[C@H](O)C[NH+](C)C)cc1 ZINC000457636837 560579058 /nfs/dbraw/zinc/57/90/58/560579058.db2.gz TXDXPPGKCWNYID-BHIYHBOVSA-N 1 0 362.470 2.298 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000457644592 560579766 /nfs/dbraw/zinc/57/97/66/560579766.db2.gz HBVSAZHDQQHCSH-FHWLQOOXSA-N 1 0 350.503 2.461 20 30 FEEDRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)N[C@H]2CC[C@@H](CC#N)C2)CC1 ZINC000459004517 560661396 /nfs/dbraw/zinc/66/13/96/560661396.db2.gz GQFWJZMSUXUVTL-YRXWBPOGSA-N 1 0 361.534 2.269 20 30 FEEDRO CC(C)(CC#N)CNC(=O)N(CCCN1CCOCC1)Cc1ccncc1 ZINC000459260669 560676437 /nfs/dbraw/zinc/67/64/37/560676437.db2.gz QTBUGIGGQKSQHP-UHFFFAOYSA-N 1 0 373.501 2.255 20 30 FEEDRO CC(C)(CC#N)CNC(=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000459260449 560676492 /nfs/dbraw/zinc/67/64/92/560676492.db2.gz QIEMQJKNKMGLDY-ROUUACIJSA-N 1 0 358.486 2.108 20 30 FEEDRO COc1cccc(OCCN2CCN(C(=O)NCC(C)(C)CC#N)CC2)c1 ZINC000459260073 560676498 /nfs/dbraw/zinc/67/64/98/560676498.db2.gz PEUGHBABRUOQIX-UHFFFAOYSA-N 1 0 374.485 2.341 20 30 FEEDRO CCN(C[C@H](C)C#N)C(=O)CN1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000459476621 560688604 /nfs/dbraw/zinc/68/86/04/560688604.db2.gz GFTNKRFCHIQQOF-QGZVFWFLSA-N 1 0 365.481 2.365 20 30 FEEDRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)Nc2snc(C)c2C#N)C1 ZINC000459570770 560694609 /nfs/dbraw/zinc/69/46/09/560694609.db2.gz BUSRZJXZGFSPLQ-ZDUSSCGKSA-N 1 0 351.476 2.288 20 30 FEEDRO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459641995 560699479 /nfs/dbraw/zinc/69/94/79/560699479.db2.gz MSCBDWQTWNSNIZ-ZIAGYGMSSA-N 1 0 361.408 2.428 20 30 FEEDRO C=CCN(CC=C)C(=O)C(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000459817786 560710596 /nfs/dbraw/zinc/71/05/96/560710596.db2.gz NHTBEYFITGNADJ-JOCHJYFZSA-N 1 0 367.493 2.312 20 30 FEEDRO CC[NH+](CC)CC1CCN(C(=O)C(=O)N(C)Cc2cccc(C#N)c2)CC1 ZINC000459934700 560721129 /nfs/dbraw/zinc/72/11/29/560721129.db2.gz FUFJKQPZCGFPKM-UHFFFAOYSA-N 1 0 370.497 2.097 20 30 FEEDRO C=C(C)Cn1c([C@H](C)OCCOC)nnc1N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000460768339 560751381 /nfs/dbraw/zinc/75/13/81/560751381.db2.gz KYNSOEZIIMOWRQ-DOTOQJQBSA-N 1 0 363.506 2.251 20 30 FEEDRO N#C[C@@H]1CCC[C@@H]1NC(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000461950519 560789346 /nfs/dbraw/zinc/78/93/46/560789346.db2.gz AKOPRJVFDJFZAK-HKUYNNGSSA-N 1 0 355.486 2.190 20 30 FEEDRO COc1cc(C#N)ccc1S(=O)(=O)NCC[N@H+](C)C1CCCCC1 ZINC000463698604 560821803 /nfs/dbraw/zinc/82/18/03/560821803.db2.gz CQAIWTZBCSRADZ-UHFFFAOYSA-N 1 0 351.472 2.110 20 30 FEEDRO COc1cc(C#N)ccc1S(=O)(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000464407232 560840938 /nfs/dbraw/zinc/84/09/38/560840938.db2.gz PMDYCJULGKKIMH-OKILXGFUSA-N 1 0 351.472 2.108 20 30 FEEDRO C[C@H](C(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1)n1cnc(C#N)n1 ZINC000467006107 560901290 /nfs/dbraw/zinc/90/12/90/560901290.db2.gz NFIHKWXLXLYGHQ-MRXNPFEDSA-N 1 0 366.469 2.259 20 30 FEEDRO C=CCCN(C)C(=O)C(=O)Nc1cccc(N2CC[NH+](C(C)C)CC2)c1 ZINC000467154900 560905212 /nfs/dbraw/zinc/90/52/12/560905212.db2.gz ITUYESPVKQVIMC-UHFFFAOYSA-N 1 0 358.486 2.190 20 30 FEEDRO COC(=O)COc1ccc([C@H](C)[NH2+]CC(=O)Nc2ccc(C#N)cc2)cc1 ZINC000467181775 560905721 /nfs/dbraw/zinc/90/57/21/560905721.db2.gz QDJAQWRIKYCWPC-AWEZNQCLSA-N 1 0 367.405 2.399 20 30 FEEDRO C=CCOCCC[NH+]1CCN(CC(=O)Nc2ccccc2Cl)CC1 ZINC000470716648 560987909 /nfs/dbraw/zinc/98/79/09/560987909.db2.gz NNVAKIRLYFCJAC-UHFFFAOYSA-N 1 0 351.878 2.489 20 30 FEEDRO CC[NH+](CC)CCO[C@H]1CCN([C@@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000472265762 561022364 /nfs/dbraw/zinc/02/23/64/561022364.db2.gz YYRCVCVDAZOFSA-LPHOPBHVSA-N 1 0 358.486 2.318 20 30 FEEDRO N#CCCn1cc(C(=O)C[N@H+]2CCCC[C@H]2CC(N)=O)c2ccccc21 ZINC000472431180 561026274 /nfs/dbraw/zinc/02/62/74/561026274.db2.gz LWTBMZOZCSVVOZ-HNNXBMFYSA-N 1 0 352.438 2.468 20 30 FEEDRO C[C@]1(CCC(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)CCC(=O)N1 ZINC000476559493 561122531 /nfs/dbraw/zinc/12/25/31/561122531.db2.gz DEKUQBCCODDWPQ-HXUWFJFHSA-N 1 0 368.481 2.110 20 30 FEEDRO C[C@@H](C[NH+]1CCCCCC1)NS(=O)(=O)Cc1cc(C#N)ccc1F ZINC000476616158 561124468 /nfs/dbraw/zinc/12/44/68/561124468.db2.gz ZKNRKVPNRJVPJL-AWEZNQCLSA-N 1 0 353.463 2.381 20 30 FEEDRO Cc1ccccc1C[NH+]1CCN(C[C@@H](O)COc2ccccc2C#N)CC1 ZINC000528341819 562323735 /nfs/dbraw/zinc/32/37/35/562323735.db2.gz XTMUWUZSMFDHSM-OAQYLSRUSA-N 1 0 365.477 2.424 20 30 FEEDRO CC(C)(C)C(=O)NC[C@@H]1CCC[N@H+](C[C@@H](O)COc2ccccc2C#N)C1 ZINC000528380990 562325950 /nfs/dbraw/zinc/32/59/50/562325950.db2.gz LBWKBAFRWZRFKL-FUHWJXTLSA-N 1 0 373.497 2.172 20 30 FEEDRO O=C1c2ccccc2C(=O)N1CC#CCN1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000528388266 562326406 /nfs/dbraw/zinc/32/64/06/562326406.db2.gz OSFCUZWFZVOWSP-SFHVURJKSA-N 1 0 365.477 2.236 20 30 FEEDRO COc1cc(OC)cc(N2CCC[N@H+](C[C@@H](O)CC3(C#N)CC3)CC2)c1 ZINC000528406028 562327427 /nfs/dbraw/zinc/32/74/27/562327427.db2.gz SANXPBRPLFIKOM-KRWDZBQOSA-N 1 0 359.470 2.271 20 30 FEEDRO CC(=O)N1CC[N@H+](C[C@H](O)COc2ccccc2C#N)CC12CCCCC2 ZINC000528430014 562329019 /nfs/dbraw/zinc/32/90/19/562329019.db2.gz JLCURKIZRGTFDP-IBGZPJMESA-N 1 0 371.481 2.165 20 30 FEEDRO O=C1c2ccccc2C(=O)N1CC#CC[N@@H+]1CC[C@@H](Cc2ccncc2)C1 ZINC000528442916 562329635 /nfs/dbraw/zinc/32/96/35/562329635.db2.gz NAAKFICJEOZYPJ-SFHVURJKSA-N 1 0 359.429 2.246 20 30 FEEDRO CC(C)C[C@@H]1OCCC[C@H]1[NH2+]CC#CCN1C(=O)c2ccccc2C1=O ZINC000528459063 562330510 /nfs/dbraw/zinc/33/05/10/562330510.db2.gz RZIDUOAKYGPLGT-MOPGFXCFSA-N 1 0 354.450 2.469 20 30 FEEDRO COc1cc(C#N)ccc1S(=O)(=O)NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000528480147 562331497 /nfs/dbraw/zinc/33/14/97/562331497.db2.gz YAOGJDKQCCINSB-INIZCTEOSA-N 1 0 363.483 2.252 20 30 FEEDRO N#Cc1ccccc1OC[C@@H](O)C[NH+]1CCC(Oc2ncccc2F)CC1 ZINC000528481129 562331509 /nfs/dbraw/zinc/33/15/09/562331509.db2.gz PKZDOYKUAYQPRP-INIZCTEOSA-N 1 0 371.412 2.375 20 30 FEEDRO COc1ccc(CN2CC[C@@H]2CNS(=O)(=O)c2cccc(C#N)c2)cc1 ZINC000528504999 562332902 /nfs/dbraw/zinc/33/29/02/562332902.db2.gz XDPOFGQFDREHTK-QGZVFWFLSA-N 1 0 371.462 2.120 20 30 FEEDRO COC1(C(F)(F)F)CC[NH+](C[C@@H](O)COc2ccccc2C#N)CC1 ZINC000528526278 562334027 /nfs/dbraw/zinc/33/40/27/562334027.db2.gz YLPPGDIHWVHRDP-CQSZACIVSA-N 1 0 358.360 2.341 20 30 FEEDRO N#Cc1ccccc1OC[C@H](O)CN1CCC[C@@](C#N)(c2ccccn2)C1 ZINC000528548605 562335449 /nfs/dbraw/zinc/33/54/49/562335449.db2.gz JOCFIUHMMMNCGD-NQIIRXRSSA-N 1 0 362.433 2.250 20 30 FEEDRO COCc1ccc(NC(=O)N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)cc1C#N ZINC000529206865 562364775 /nfs/dbraw/zinc/36/47/75/562364775.db2.gz YNJJSJFANUXQJI-HNNXBMFYSA-N 1 0 372.469 2.422 20 30 FEEDRO CC[NH+]1CCN(CC(C)(C)NC(=O)Nc2ccc(COC)c(C#N)c2)CC1 ZINC000529210954 562365023 /nfs/dbraw/zinc/36/50/23/562365023.db2.gz TVUQMKAPQDEPIS-UHFFFAOYSA-N 1 0 373.501 2.242 20 30 FEEDRO COCc1ccc(NC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)cc1C#N ZINC000529219397 562365260 /nfs/dbraw/zinc/36/52/60/562365260.db2.gz WBQXOJCJPDARIA-GOSISDBHSA-N 1 0 360.458 2.183 20 30 FEEDRO N#Cc1ccccc1OC[C@H](O)C[NH2+][C@H]1CCO[C@@H](c2ccncc2)C1 ZINC000530233100 562403253 /nfs/dbraw/zinc/40/32/53/562403253.db2.gz HKNQTDAWBJWPNL-NLWGTHIKSA-N 1 0 353.422 2.203 20 30 FEEDRO CC(C)n1ncc2c1C[C@@H]([NH2+]C[C@@H](O)COc1ccccc1C#N)CC2 ZINC000530232757 562403295 /nfs/dbraw/zinc/40/32/95/562403295.db2.gz AXBVBHXHEGUMQB-ZWKOTPCHSA-N 1 0 354.454 2.222 20 30 FEEDRO COc1ccc(CN2CC[C@H]2C[NH2+]C[C@@H](O)c2ccc(C#N)cc2)cc1 ZINC000530239390 562403633 /nfs/dbraw/zinc/40/36/33/562403633.db2.gz FLJBCWKJDJZLLP-PZJWPPBQSA-N 1 0 351.450 2.464 20 30 FEEDRO N#CCCn1cc(C[NH2+][C@H]2CCCS(=O)(=O)C2)c(-c2ccccc2)n1 ZINC000531018366 562432041 /nfs/dbraw/zinc/43/20/41/562432041.db2.gz TUQGNYJHLIVEPV-KRWDZBQOSA-N 1 0 358.467 2.131 20 30 FEEDRO N#Cc1ccc(C(=O)NC2CC[NH+](CCOc3ccc(F)cc3)CC2)nc1 ZINC000531489706 562447686 /nfs/dbraw/zinc/44/76/86/562447686.db2.gz TYSPBKKOXAKUIB-UHFFFAOYSA-N 1 0 368.412 2.366 20 30 FEEDRO CCN(C[C@H](C)C#N)C(=O)CN1CCC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC000531614812 562451624 /nfs/dbraw/zinc/45/16/24/562451624.db2.gz ITPKCMVRODKUSU-CVEARBPZSA-N 1 0 351.491 2.438 20 30 FEEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C[NH2+]C1(CO)CCOCC1 ZINC000532963775 562494071 /nfs/dbraw/zinc/49/40/71/562494071.db2.gz NSTSQQVXVUVSNE-CQSZACIVSA-N 1 0 363.483 2.008 20 30 FEEDRO C[C@@H]1CC[N@H+](CCNS(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)C1 ZINC000533094548 562498051 /nfs/dbraw/zinc/49/80/51/562498051.db2.gz CBAVLCVZDAQCAW-LLVKDONJSA-N 1 0 361.389 2.197 20 30 FEEDRO C[NH+]1CCC(C#N)(NC(=O)c2cc(F)c(F)cc2Br)CC1 ZINC000533543955 562512381 /nfs/dbraw/zinc/51/23/81/562512381.db2.gz CGTPELIEGICRQG-UHFFFAOYSA-N 1 0 358.186 2.445 20 30 FEEDRO COC(=O)c1cccc(CN2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c1C#N ZINC000533762847 562517661 /nfs/dbraw/zinc/51/76/61/562517661.db2.gz ZWXIWCAJDSAGPG-KFKAGJAMSA-N 1 0 357.454 2.028 20 30 FEEDRO C[NH+]1CCC(C#N)(NC(=O)[C@H]2COc3ccc(Br)cc32)CC1 ZINC000533943710 562521934 /nfs/dbraw/zinc/52/19/34/562521934.db2.gz JCFZFQFMDMINHI-ZDUSSCGKSA-N 1 0 364.243 2.029 20 30 FEEDRO C[C@H]([NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1)[C@H]1CCCOC1 ZINC000541648299 562617211 /nfs/dbraw/zinc/61/72/11/562617211.db2.gz KAKKNJDJJZKBNC-GJZGRUSLSA-N 1 0 353.426 2.087 20 30 FEEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)C[NH2+]C(C)(C)CC(N)=O)c1C#N ZINC000541695587 562617929 /nfs/dbraw/zinc/61/79/29/562617929.db2.gz AASGVTXRORRANR-UHFFFAOYSA-N 1 0 359.474 2.274 20 30 FEEDRO CN(CCC#N)C(=O)CC[NH2+][C@H](CCO)c1ccccc1Br ZINC000541951870 562624353 /nfs/dbraw/zinc/62/43/53/562624353.db2.gz NDFAOCXENCKAHN-OAHLLOKOSA-N 1 0 368.275 2.224 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)[C@@H](C)C2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000806807512 674390960 /nfs/dbraw/zinc/39/09/60/674390960.db2.gz PCIHOABDZRVRMZ-AWEZNQCLSA-N 1 0 351.491 2.256 20 30 FEEDRO C[NH+](C)CCn1c2cc(C(=O)N[C@H]3CC[C@@H](CC#N)C3)ccc2[nH]c1=O ZINC000602156588 567944270 /nfs/dbraw/zinc/94/42/70/567944270.db2.gz HNHJHKXPYIMBLS-ZFWWWQNUSA-N 1 0 355.442 2.116 20 30 FEEDRO N#CC[C@]1(O)CCN(C(=O)N[C@@H]2CCCCC[N@H+](Cc3ccccc3)C2)C1 ZINC000602392505 567974949 /nfs/dbraw/zinc/97/49/49/567974949.db2.gz RHHJVGXQEUKPET-CTNGQTDRSA-N 1 0 370.497 2.491 20 30 FEEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccc(NS(C)(=O)=O)cc1 ZINC000602512473 567989334 /nfs/dbraw/zinc/98/93/34/567989334.db2.gz BKZPEZUJECEQSZ-CQSZACIVSA-N 1 0 351.472 2.247 20 30 FEEDRO C[C@@H]1C[NH+](C[C@@H](O)COc2ccc3ccccc3c2)C[C@@H](C)N1CC#N ZINC000602855369 568002221 /nfs/dbraw/zinc/00/22/21/568002221.db2.gz HKLIKQDWMOXYAB-MBOZVWFJSA-N 1 0 353.466 2.498 20 30 FEEDRO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CC[C@H](c2ccc3cccnc3n2)C1 ZINC000602890252 568007141 /nfs/dbraw/zinc/00/71/41/568007141.db2.gz ZJZRIWXAJDCRPC-RDJZCZTQSA-N 1 0 351.454 2.427 20 30 FEEDRO CCCN(CC[NH+]1CCCCCC1)S(=O)(=O)c1ccc(C#N)nc1 ZINC000568555733 568050969 /nfs/dbraw/zinc/05/09/69/568050969.db2.gz BMOXUZOTOZKPRF-UHFFFAOYSA-N 1 0 350.488 2.230 20 30 FEEDRO C[C@H]1CN(C(=O)C2CC[NH+](Cc3ccccc3)CC2)C[C@H](C)N1CC#N ZINC000603097852 568060240 /nfs/dbraw/zinc/06/02/40/568060240.db2.gz GSFYNGFYRBNEIL-ROUUACIJSA-N 1 0 354.498 2.343 20 30 FEEDRO N#Cc1ccc(OC2CCN(C(=O)NCC[C@@H]3CC[NH2+]C3)CC2)c(F)c1 ZINC000568855874 568237111 /nfs/dbraw/zinc/23/71/11/568237111.db2.gz GGTMDZADKRXENV-AWEZNQCLSA-N 1 0 360.433 2.250 20 30 FEEDRO CN(CCOCc1ccc(C#N)cc1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000568911558 568251904 /nfs/dbraw/zinc/25/19/04/568251904.db2.gz OFLQEQSBOGHOMR-UHFFFAOYSA-N 1 0 368.393 2.214 20 30 FEEDRO C=CC[C@H]1CCCN(C(=O)C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000669178330 568268200 /nfs/dbraw/zinc/26/82/00/568268200.db2.gz DHEILEBSPIOJCR-SFHVURJKSA-N 1 0 370.497 2.229 20 30 FEEDRO C[C@H](CNC(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1)[NH+]1CCC(C)CC1 ZINC000569060580 568295549 /nfs/dbraw/zinc/29/55/49/568295549.db2.gz OAKKSPMVTRECGR-SJLPKXTDSA-N 1 0 371.485 2.236 20 30 FEEDRO C[NH+](C)CCc1ccccc1NC(=O)C(=O)N1CCc2c1cccc2C#N ZINC000569220429 568313766 /nfs/dbraw/zinc/31/37/66/568313766.db2.gz IZOXTSMAIXPIQQ-UHFFFAOYSA-N 1 0 362.433 2.190 20 30 FEEDRO CC(C)[C@@H](C#N)N1CCN(CC(=O)N(Cc2ccccc2)C2CC2)CC1 ZINC000609486121 568346213 /nfs/dbraw/zinc/34/62/13/568346213.db2.gz DHAKYWABGBVLFY-HXUWFJFHSA-N 1 0 354.498 2.343 20 30 FEEDRO CC1(C)COC[C@H]1NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000569320012 568375583 /nfs/dbraw/zinc/37/55/83/568375583.db2.gz DSRRQIKGZBNCKR-GOSISDBHSA-N 1 0 356.470 2.201 20 30 FEEDRO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000569485555 568403232 /nfs/dbraw/zinc/40/32/32/568403232.db2.gz KTQZYPZXSLATLH-GJZGRUSLSA-N 1 0 364.449 2.083 20 30 FEEDRO C=CCSCCNC(=O)C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000557026283 674432962 /nfs/dbraw/zinc/43/29/62/674432962.db2.gz AXTPWJSCQOSSPW-UHFFFAOYSA-N 1 0 367.559 2.136 20 30 FEEDRO C=CCOc1ccc(C[N@H+]2CCC[C@@H](CN(C)S(C)(=O)=O)C2)cc1 ZINC000557520680 674451891 /nfs/dbraw/zinc/45/18/91/674451891.db2.gz FHTICPZQTDQRGH-KRWDZBQOSA-N 1 0 352.500 2.355 20 30 FEEDRO C[C@H](c1ccc(C#N)cc1)[NH+]1CCN(c2cc(-c3nn[nH]n3)ccn2)CC1 ZINC000736199408 599310447 /nfs/dbraw/zinc/31/04/47/599310447.db2.gz OGKKDTYKCYNCPI-CQSZACIVSA-N 1 0 360.425 2.017 20 30 FEEDRO COc1cc(C#N)ccc1C[N@@H+]1CCC[C@H](CNC(=O)C(F)(F)F)C1 ZINC000810071274 674529403 /nfs/dbraw/zinc/52/94/03/674529403.db2.gz AJNQEFXJLIWUTN-CYBMUJFWSA-N 1 0 355.360 2.457 20 30 FEEDRO N#CC1(CCC[N@H+]2CCC[C@@H](CNC(=O)C(F)(F)F)C2)CCOCC1 ZINC000810065796 674528568 /nfs/dbraw/zinc/52/85/68/674528568.db2.gz DDGHZMFYXJBUCY-AWEZNQCLSA-N 1 0 361.408 2.477 20 30 FEEDRO C#CCC[NH+]1CCN(c2c(-c3nn[nH]n3)cnc3c(C)cc(C)cc32)CC1 ZINC000823844567 608377104 /nfs/dbraw/zinc/37/71/04/608377104.db2.gz BGQIHLRKDWUVJU-UHFFFAOYSA-N 1 0 361.453 2.177 20 30 FEEDRO C#CCOc1ccc(C[NH+]2CCN(c3ccccc3-c3nn[nH]n3)CC2)cc1 ZINC000823856141 608513754 /nfs/dbraw/zinc/51/37/54/608513754.db2.gz KSRANDNSASTPBT-UHFFFAOYSA-N 1 0 374.448 2.201 20 30 FEEDRO C=CCN(CC1CCCCC1)C(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000559867970 674559055 /nfs/dbraw/zinc/55/90/55/674559055.db2.gz MJRBSSQKOMBYGI-IBGZPJMESA-N 1 0 367.559 2.135 20 30 FEEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000561004120 674629477 /nfs/dbraw/zinc/62/94/77/674629477.db2.gz ZQKAHOCCEHZIJN-KBPBESRZSA-N 1 0 360.483 2.074 20 30 FEEDRO C#C[C@H](NC(=O)NC1CCN(CC[NH+](C)C)CC1)c1ccc(Cl)cc1 ZINC000811999003 674645843 /nfs/dbraw/zinc/64/58/43/674645843.db2.gz GPYXHRPGMKRGSH-SFHVURJKSA-N 1 0 362.905 2.340 20 30 FEEDRO C=CCNC(=O)CNC(=O)NC[C@H](c1ccc(Cl)cc1)[N@@H+](C)CCC ZINC000561670123 674688601 /nfs/dbraw/zinc/68/86/01/674688601.db2.gz FAASYMHRCZFMSQ-MRXNPFEDSA-N 1 0 366.893 2.324 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCC([NH2+]CCOC)CC1 ZINC000563271156 674867196 /nfs/dbraw/zinc/86/71/96/674867196.db2.gz MIXOHACGVRICDV-MRXNPFEDSA-N 1 0 365.543 2.352 20 30 FEEDRO N#CCCNC(=O)C[N@H+]1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000814677392 674874779 /nfs/dbraw/zinc/87/47/79/674874779.db2.gz VSJIRERBSRRSAJ-AWEZNQCLSA-N 1 0 350.260 2.343 20 30 FEEDRO C#CCNC(=O)CC[N@@H+](CCOC)Cc1ccc(Br)s1 ZINC000815101767 674918488 /nfs/dbraw/zinc/91/84/88/674918488.db2.gz AKUCBZDNYCNGLP-UHFFFAOYSA-N 1 0 359.289 2.099 20 30 FEEDRO C[C@H](C(=O)N1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1)[NH+]1CC(C)C1 ZINC000564351627 674999579 /nfs/dbraw/zinc/99/95/79/674999579.db2.gz PWVNOPKVKBNDLI-QAPCUYQASA-N 1 0 360.889 2.389 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3cnc(C)s3)C[C@@H]2C1 ZINC001048827043 675015938 /nfs/dbraw/zinc/01/59/38/675015938.db2.gz TUVBTTPBTXKSFM-ATLSCFEFSA-N 1 0 361.511 2.323 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3scnc3C)C[C@@H]2C1 ZINC001049111073 675023422 /nfs/dbraw/zinc/02/34/22/675023422.db2.gz IKBPXRWDCBXIFP-DFGXFYAUSA-N 1 0 361.511 2.323 20 30 FEEDRO CC[C@H](COCC(F)(F)F)[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000564565915 675037995 /nfs/dbraw/zinc/03/79/95/675037995.db2.gz YSEJYRADKJONPF-CYBMUJFWSA-N 1 0 364.389 2.279 20 30 FEEDRO C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000564845864 675067263 /nfs/dbraw/zinc/06/72/63/675067263.db2.gz FCCZHQJPHPUNFU-ZACQAIPSSA-N 1 0 363.527 2.288 20 30 FEEDRO N#CCc1ccc(OC[C@H](O)C[NH2+]CCOc2ncccc2Cl)cc1 ZINC000564851720 675068325 /nfs/dbraw/zinc/06/83/25/675068325.db2.gz FTCFKKOLQLMCGC-OAHLLOKOSA-N 1 0 361.829 2.209 20 30 FEEDRO CCN(CC)c1ccc(/C=[NH+]/CCCN(CC)S(C)(=O)=O)c(O)c1 ZINC000054908262 670342719 /nfs/dbraw/zinc/34/27/19/670342719.db2.gz IEZLBZSXFRKQMT-NBVRZTHBSA-N 1 0 355.504 2.329 20 30 FEEDRO CC[C@@H](CSC)[N@H+](C)CN1CC(=O)N(Cc2ccc(C#N)cc2)C1=O ZINC000091024105 670715660 /nfs/dbraw/zinc/71/56/60/670715660.db2.gz KBBIQSHTOLAIGS-INIZCTEOSA-N 1 0 360.483 2.353 20 30 FEEDRO C=C(C)Cn1c([C@@H](C)OCCOC)nnc1N1CC[NH+](C(C)C)CC1 ZINC000570811127 670773018 /nfs/dbraw/zinc/77/30/18/670773018.db2.gz ORTMUTWIKQHQKF-MRXNPFEDSA-N 1 0 351.495 2.109 20 30 FEEDRO C[NH+]=C(NCC(=O)NC(C)C)N(C)Cc1ccc(Br)s1 ZINC000115175924 670895714 /nfs/dbraw/zinc/89/57/14/670895714.db2.gz DANXSWKHXCUWNM-UHFFFAOYSA-N 1 0 361.309 2.042 20 30 FEEDRO N#Cc1ccc(-n2ccc(NC(=O)NCC[C@H]3CCC[NH2+]3)n2)c(Cl)c1 ZINC000571891681 670937477 /nfs/dbraw/zinc/93/74/77/670937477.db2.gz SVTLKUHTVIWCEI-CYBMUJFWSA-N 1 0 358.833 2.661 20 30 FEEDRO CC(C)(CNS(=O)(=O)CC1(C#N)CCC1)[N@@H+]1CCc2ccccc2C1 ZINC000572564033 671017176 /nfs/dbraw/zinc/01/71/76/671017176.db2.gz WAOQLEPCXFTFTO-UHFFFAOYSA-N 1 0 361.511 2.437 20 30 FEEDRO C[C@@H]([NH2+]C[C@H]1CCCCN1S(=O)(=O)N(C)C)c1ccc(C#N)cc1F ZINC000575020924 671293313 /nfs/dbraw/zinc/29/33/13/671293313.db2.gz IPVHGCKRMWVIFK-UKRRQHHQSA-N 1 0 368.478 2.009 20 30 FEEDRO N#CCCC[C@H]([NH3+])C(=O)N1CCO[C@@H](c2ccccc2Br)C1 ZINC000818101855 675196259 /nfs/dbraw/zinc/19/62/59/675196259.db2.gz XGPALQNEYBNTGJ-LSDHHAIUSA-N 1 0 366.259 2.370 20 30 FEEDRO N#Cc1cc(Br)cc(S(=O)(=O)N2CCC(CC[NH3+])CC2)c1 ZINC000576113934 671345230 /nfs/dbraw/zinc/34/52/30/671345230.db2.gz DBOQFUQBGZBQNN-UHFFFAOYSA-N 1 0 372.288 2.070 20 30 FEEDRO CC[NH+](CC)[C@@H](CNC(=O)NC1CCN(CC#N)CC1)c1ccsc1 ZINC000609336392 675918865 /nfs/dbraw/zinc/91/88/65/675918865.db2.gz WPGWXOZBGOWJMY-KRWDZBQOSA-N 1 0 363.531 2.418 20 30 FEEDRO N#Cc1c(Br)cccc1S(=O)(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000577632437 671609955 /nfs/dbraw/zinc/60/99/55/671609955.db2.gz MASXXRGWPHQNGW-ZWNOBZJWSA-N 1 0 372.288 2.117 20 30 FEEDRO C[C@H]([NH2+]C1(CNS(=O)(=O)N(C)CCC#N)CCCC1)c1ccccc1 ZINC000609465685 675923016 /nfs/dbraw/zinc/92/30/16/675923016.db2.gz HZNMQTNBAHCPNK-INIZCTEOSA-N 1 0 364.515 2.330 20 30 FEEDRO CC[S@](=O)[C@H]1CCC[C@H]([NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000578350560 671658929 /nfs/dbraw/zinc/65/89/29/671658929.db2.gz QJICDPSPXVSRAY-KXNSMUHISA-N 1 0 368.524 2.001 20 30 FEEDRO CN(CCC#N)C[C@@H](O)C[NH2+][C@@H]1CCCN(c2ccccc2Cl)C1 ZINC000578499342 671669820 /nfs/dbraw/zinc/66/98/20/671669820.db2.gz JIJRPTXXOKRTQT-CVEARBPZSA-N 1 0 350.894 2.105 20 30 FEEDRO CN(CCC#N)C[C@H](O)C[NH2+][C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000578998187 671704691 /nfs/dbraw/zinc/70/46/91/671704691.db2.gz PBSMOXSVYKQRRR-FHLIZLRMSA-N 1 0 368.884 2.020 20 30 FEEDRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)CC1(C#N)CCC1 ZINC000579291232 671725133 /nfs/dbraw/zinc/72/51/33/671725133.db2.gz GZACOXUSVPKQKH-SFHVURJKSA-N 1 0 361.511 2.464 20 30 FEEDRO CSC1(CNC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)CC[NH+](C)CC1 ZINC000581164979 671869060 /nfs/dbraw/zinc/86/90/60/671869060.db2.gz RYUSFCQJEVGLON-KRWDZBQOSA-N 1 0 356.495 2.184 20 30 FEEDRO CCN(CC)C(=[NH2+])NCc1ccc(Br)cc1N1CCOCC1 ZINC000119554266 671902612 /nfs/dbraw/zinc/90/26/12/671902612.db2.gz AIWLZZMKZPGKDU-UHFFFAOYSA-N 1 0 369.307 2.442 20 30 FEEDRO N#Cc1ccc(OC[C@H](O)C[NH2+]C[C@@H](CO)c2ccccc2Cl)cc1 ZINC000581824227 671938489 /nfs/dbraw/zinc/93/84/89/671938489.db2.gz CGXNSRULKAICBG-JKSUJKDBSA-N 1 0 360.841 2.317 20 30 FEEDRO CC[NH+](CC)CC#C[C@H](C)OC(=O)[C@@H]1CSCN1C(=O)C1CCCC1 ZINC000121353116 671947292 /nfs/dbraw/zinc/94/72/92/671947292.db2.gz CLFICQOZJTUENN-RDJZCZTQSA-N 1 0 366.527 2.355 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+]CCOc2ccc(Cl)cn2)cc1 ZINC000582415926 672000074 /nfs/dbraw/zinc/00/00/74/672000074.db2.gz OENHTZHRQRYUOW-UHFFFAOYSA-N 1 0 365.842 2.049 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCCC2(C1)OCCO2)C(C)C ZINC000130079231 672070464 /nfs/dbraw/zinc/07/04/64/672070464.db2.gz MACZWSXCQGHALS-KRWDZBQOSA-N 1 0 351.491 2.234 20 30 FEEDRO COc1ccc(OCC[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000610497397 675975896 /nfs/dbraw/zinc/97/58/96/675975896.db2.gz UQBPXQUBSGZYEJ-UHFFFAOYSA-N 1 0 360.435 2.009 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)NCCN(CCC)C(=O)OC(C)(C)C)CC1 ZINC000132121942 672094499 /nfs/dbraw/zinc/09/44/99/672094499.db2.gz GAWFXNKDRNIZAE-UHFFFAOYSA-N 1 0 351.491 2.095 20 30 FEEDRO CC[C@H](C)[NH+]=C(NCCc1ccco1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000154487859 672217502 /nfs/dbraw/zinc/21/75/02/672217502.db2.gz XVTIEWJAIBXIKC-AWEZNQCLSA-N 1 0 355.504 2.075 20 30 FEEDRO COC1(CNC(=[NH2+])NCc2ccc(OC(F)(F)F)cc2)CCOCC1 ZINC000160609773 672292259 /nfs/dbraw/zinc/29/22/59/672292259.db2.gz SKVNGZOGYBZHOL-UHFFFAOYSA-N 1 0 361.364 2.185 20 30 FEEDRO CCOC(=O)N1CCC(NC(=[NH2+])NCc2ccc(SC)cc2)CC1 ZINC000170910158 672327017 /nfs/dbraw/zinc/32/70/17/672327017.db2.gz YXBIYSJGTXLBGR-UHFFFAOYSA-N 1 0 350.488 2.434 20 30 FEEDRO C#CCSCCNC(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000172400346 672341473 /nfs/dbraw/zinc/34/14/73/672341473.db2.gz XVMLIFAZRSUYRO-SFHVURJKSA-N 1 0 361.511 2.498 20 30 FEEDRO C=CC[C@H](C)[NH2+][C@@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000180947242 672420184 /nfs/dbraw/zinc/42/01/84/672420184.db2.gz CKPRRLOSWXTXBX-STQMWFEESA-N 1 0 360.501 2.027 20 30 FEEDRO C[N@H+](CCCc1[nH]nc(N)c1C#N)Cc1cc2c(cc1Cl)OCCO2 ZINC000588963848 672496235 /nfs/dbraw/zinc/49/62/35/672496235.db2.gz SAHVCVQHOJVYNP-UHFFFAOYSA-N 1 0 361.833 2.353 20 30 FEEDRO CN(CCC#N)C(=O)CC[NH2+][C@@](C)(CO)c1cccc(C(F)(F)F)c1 ZINC000611302687 676031274 /nfs/dbraw/zinc/03/12/74/676031274.db2.gz WQRIYFFIIGEVPC-INIZCTEOSA-N 1 0 357.376 2.265 20 30 FEEDRO N#Cc1cc(Br)cnc1N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000590685664 672601805 /nfs/dbraw/zinc/60/18/05/672601805.db2.gz KWWRJUXESXIPRU-OAHLLOKOSA-N 1 0 365.275 2.407 20 30 FEEDRO CN(CCC[NH+](C)C)C(=O)COc1ccc(C#N)c(Br)c1 ZINC000590709499 672604804 /nfs/dbraw/zinc/60/48/04/672604804.db2.gz YIVJLNUUBJXAGT-UHFFFAOYSA-N 1 0 354.248 2.110 20 30 FEEDRO N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)NC[C@H]2CCCC[NH2+]2)n1 ZINC000591297674 672666704 /nfs/dbraw/zinc/66/67/04/672666704.db2.gz COCGDHDUEXHRAK-CQSZACIVSA-N 1 0 358.833 2.661 20 30 FEEDRO N#Cc1ccc(CNC(=O)N2CCC(OCCC[NH3+])CC2)cc1Cl ZINC000591358159 672676214 /nfs/dbraw/zinc/67/62/14/672676214.db2.gz POXHUCQWCQJDFB-UHFFFAOYSA-N 1 0 350.850 2.251 20 30 FEEDRO N#Cc1cnc2c(F)ccc(Cl)c2c1N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000591439491 672680887 /nfs/dbraw/zinc/68/08/87/672680887.db2.gz FZHWDKZIKDNNKF-ZDUSSCGKSA-N 1 0 359.836 2.383 20 30 FEEDRO C=CCNC(=O)NC(=O)C[N@H+]1CCCCC[C@H]1C[C@@H](O)c1cccs1 ZINC000247279570 672848490 /nfs/dbraw/zinc/84/84/90/672848490.db2.gz XFYXUJDRFWGCRT-LSDHHAIUSA-N 1 0 365.499 2.428 20 30 FEEDRO C[C@H]1C[NH+](C)C[C@H](C)N1C(=O)Cc1ccc(Br)cc1C#N ZINC000593109113 672877446 /nfs/dbraw/zinc/87/74/46/672877446.db2.gz IGIOPJITKVRVML-RYUDHWBXSA-N 1 0 350.260 2.414 20 30 FEEDRO O=C(NCC[NH2+]Cc1ccc(F)c(Br)c1)C1N=CC=CC1=O ZINC000255334904 672888552 /nfs/dbraw/zinc/88/85/52/672888552.db2.gz GYRPQHULJPVMBL-CCEZHUSRSA-N 1 0 368.206 2.204 20 30 FEEDRO C[NH+]=C(NCCc1cc(Cl)c2c(c1)OCCO2)N(C)C[C@@H]1CCOC1 ZINC000261707133 672901643 /nfs/dbraw/zinc/90/16/43/672901643.db2.gz UWVASEAQBBYLGZ-AWEZNQCLSA-N 1 0 367.877 2.197 20 30 FEEDRO CCc1nsc(N2CCN(C(NCc3ccsc3)=[NH+]C)CC2)n1 ZINC000261781853 672903146 /nfs/dbraw/zinc/90/31/46/672903146.db2.gz PKIYCQZZPFJLEU-UHFFFAOYSA-N 1 0 350.517 2.060 20 30 FEEDRO Cc1nc(CNC(NCc2nnc(C)n2C)=[NH+]C2CCCC2)sc1C ZINC000261976122 672906481 /nfs/dbraw/zinc/90/64/81/672906481.db2.gz NRRGOXWSMJZCDX-UHFFFAOYSA-N 1 0 361.519 2.375 20 30 FEEDRO Cc1nnc(CNC(NC[C@]2(C)CCCS2)=[NH+]C2CCCC2)n1C ZINC000261972168 672906565 /nfs/dbraw/zinc/90/65/65/672906565.db2.gz NCJJJKBACSTGOQ-KRWDZBQOSA-N 1 0 350.536 2.387 20 30 FEEDRO CC[NH+]=C(NC[C@@H]1CCCO1)N[C@@H]1CCN(c2ncccc2Cl)C1 ZINC000261973698 672906576 /nfs/dbraw/zinc/90/65/76/672906576.db2.gz NGIFHUXNLZDQER-KGLIPLIRSA-N 1 0 351.882 2.048 20 30 FEEDRO C[C@H]1CCCN(S(=O)(=O)c2ccc(CNC(=[NH2+])NC(C)(C)C)cc2)C1 ZINC000262007371 672907540 /nfs/dbraw/zinc/90/75/40/672907540.db2.gz SAGNTWKNKLILSM-AWEZNQCLSA-N 1 0 366.531 2.310 20 30 FEEDRO [NH2+]=C(NCc1cccc(S(=O)(=O)N2CCCCC2)c1)NCC1CCC1 ZINC000262016933 672908064 /nfs/dbraw/zinc/90/80/64/672908064.db2.gz WKABZWISLTYRJM-UHFFFAOYSA-N 1 0 364.515 2.066 20 30 FEEDRO CC(C)[C@@H]1C[C@H](NC(NCC(=O)N(C)C)=[NH+]C2CCCCC2)CCO1 ZINC000262287897 672912780 /nfs/dbraw/zinc/91/27/80/672912780.db2.gz KPUDSMXTGSZJLM-SJORKVTESA-N 1 0 352.523 2.146 20 30 FEEDRO C[NH+]=C(NCC1(c2cccc(Cl)c2)CC1)NC[C@@]1(O)CCSC1 ZINC000262431250 672915657 /nfs/dbraw/zinc/91/56/57/672915657.db2.gz SOAYFOCHJRIQOK-KRWDZBQOSA-N 1 0 353.919 2.405 20 30 FEEDRO CN(Cc1ccco1)C(NC[C@@H]1CCS(=O)(=O)C1)=[NH+]C1CCCC1 ZINC000262450501 672915905 /nfs/dbraw/zinc/91/59/05/672915905.db2.gz VUZCWRFYMGUIFZ-AWEZNQCLSA-N 1 0 353.488 2.034 20 30 FEEDRO [NH2+]=C(NCc1ccc(OC(F)(F)F)cc1)N[C@@H]1CCn2ccnc2C1 ZINC000262456650 672916513 /nfs/dbraw/zinc/91/65/13/672916513.db2.gz HVZSTACPBAFTJB-GFCCVEGCSA-N 1 0 353.348 2.201 20 30 FEEDRO C=C(C)CNC(=[NH+]C[C@@H]1CCS(=O)(=O)C1)N1CCS[C@@H](C(C)C)C1 ZINC000262455698 672916606 /nfs/dbraw/zinc/91/66/06/672916606.db2.gz WTTFDNXZKWFOEB-JKSUJKDBSA-N 1 0 373.588 2.016 20 30 FEEDRO C[NH+]=C(NCCS(=O)(=O)Cc1ccccc1)N1C[C@H](C)C[C@@H](C)C1 ZINC000262531957 672917390 /nfs/dbraw/zinc/91/73/90/672917390.db2.gz ILAVZJQVAJSQGA-HZPDHXFCSA-N 1 0 351.516 2.155 20 30 FEEDRO C[NH+]=C(NCc1cc2c(c(Br)c1)OCO2)NC[C@H]1CCCO1 ZINC000262570696 672918117 /nfs/dbraw/zinc/91/81/17/672918117.db2.gz MWQPOJIAJYZLFD-LLVKDONJSA-N 1 0 370.247 2.022 20 30 FEEDRO CC(C)(CNC(=[NH2+])Nc1cc(F)ccc1F)[C@@H]1COCC12OCCO2 ZINC000263094876 672927319 /nfs/dbraw/zinc/92/73/19/672927319.db2.gz JGMVIXIWYHNWLM-AWEZNQCLSA-N 1 0 355.385 2.107 20 30 FEEDRO C=CCOc1c(Br)cc(C[NH2+]C[C@@](C)(O)CO)cc1OCC ZINC000684539321 672939805 /nfs/dbraw/zinc/93/98/05/672939805.db2.gz XPVRYWJPLTVMME-MRXNPFEDSA-N 1 0 374.275 2.246 20 30 FEEDRO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)Cc1ccc(Br)cc1C#N ZINC000593577667 672949588 /nfs/dbraw/zinc/94/95/88/672949588.db2.gz GEOWQLJMNNCKQL-RYUDHWBXSA-N 1 0 350.260 2.414 20 30 FEEDRO C[C@@H](CC#N)NC(=O)C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000593594655 672953766 /nfs/dbraw/zinc/95/37/66/672953766.db2.gz WPYDPUFOLHLQED-AWEZNQCLSA-N 1 0 360.483 2.231 20 30 FEEDRO C[NH+](C)CCN(Cc1ccsc1)S(=O)(=O)c1ccsc1C#N ZINC000593605643 672956375 /nfs/dbraw/zinc/95/63/75/672956375.db2.gz IRXQKIZWDZKCKV-UHFFFAOYSA-N 1 0 355.510 2.434 20 30 FEEDRO C#CCCS(=O)(=O)NC[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000289087011 672988310 /nfs/dbraw/zinc/98/83/10/672988310.db2.gz GKVKQXTWOJXTTD-XJKSGUPXSA-N 1 0 358.866 2.415 20 30 FEEDRO CC(C)(C)c1csc(NC(=O)C(=O)NCCC2CC[NH2+]CC2)c1C#N ZINC000593764909 672988975 /nfs/dbraw/zinc/98/89/75/672988975.db2.gz FVAPOXIOVADYPT-UHFFFAOYSA-N 1 0 362.499 2.362 20 30 FEEDRO Cc1ccc(CNC(Nc2ccccc2)=[NH+]CCNS(C)(=O)=O)cc1 ZINC000303790551 673017935 /nfs/dbraw/zinc/01/79/35/673017935.db2.gz WJRTWHFPXBIWQK-UHFFFAOYSA-N 1 0 360.483 2.102 20 30 FEEDRO CC(C)N(C)S(=O)(=O)c1ccc(CNC(=[NH2+])N2CCCCC2)cc1 ZINC000303881572 673018340 /nfs/dbraw/zinc/01/83/40/673018340.db2.gz KZJPPOPONGORAP-UHFFFAOYSA-N 1 0 352.504 2.016 20 30 FEEDRO C[C@H]1CCCN(C(=[NH2+])NC[C@H](O)COc2ccc(C(F)(F)F)cc2)C1 ZINC000303903623 673019063 /nfs/dbraw/zinc/01/90/63/673019063.db2.gz YMGUSJDVPJPUHG-JSGCOSHPSA-N 1 0 359.392 2.492 20 30 FEEDRO [NH2+]=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)N1CCCCC1 ZINC000303903399 673019370 /nfs/dbraw/zinc/01/93/70/673019370.db2.gz UJZNMFJBUCIRON-UHFFFAOYSA-N 1 0 364.515 2.162 20 30 FEEDRO CN(CCNC(=[NH2+])NCc1ccc(OC(F)(F)F)cc1)CC(F)(F)F ZINC000304765812 673020916 /nfs/dbraw/zinc/02/09/16/673020916.db2.gz ZUOLPHWXTRBOPU-UHFFFAOYSA-N 1 0 372.313 2.484 20 30 FEEDRO COc1cc2[nH]c(CCCNC(=[NH2+])N3CCSCC3)cc2c(OC)c1 ZINC000304824454 673021443 /nfs/dbraw/zinc/02/14/43/673021443.db2.gz FSRXFAXNJOQIIL-UHFFFAOYSA-N 1 0 362.499 2.481 20 30 FEEDRO COCCN(CCNC(=[NH2+])NC1CCCCCC1)C(=O)OC(C)(C)C ZINC000305749961 673021662 /nfs/dbraw/zinc/02/16/62/673021662.db2.gz YHEFNIXDTVKHII-UHFFFAOYSA-N 1 0 356.511 2.497 20 30 FEEDRO CC(C)(C)OC(=O)N1CCN(C(=[NH2+])NCCC[C@H]2CCCCO2)CC1 ZINC000305837907 673021674 /nfs/dbraw/zinc/02/16/74/673021674.db2.gz XSPZLAQGYQRNHZ-OAHLLOKOSA-N 1 0 354.495 2.203 20 30 FEEDRO [NH2+]=C(NCCNS(=O)(=O)c1cccc(Cl)c1)NC1CCCCCC1 ZINC000305738532 673021745 /nfs/dbraw/zinc/02/17/45/673021745.db2.gz ABYBSUWANKCSKP-UHFFFAOYSA-N 1 0 372.922 2.245 20 30 FEEDRO N#Cc1c(F)cccc1S(=O)(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000310836174 673026213 /nfs/dbraw/zinc/02/62/13/673026213.db2.gz ZVFCRJYOPDIHFG-OAHLLOKOSA-N 1 0 359.426 2.250 20 30 FEEDRO CCC(C)(C)[NH+]1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2Cl)CC1 ZINC000594316465 673057207 /nfs/dbraw/zinc/05/72/07/673057207.db2.gz XIHUSODGGPAXPC-UHFFFAOYSA-N 1 0 362.861 2.483 20 30 FEEDRO CO[C@H]1C[C@@H](C(=O)NC[C@@H]2C[C@H](F)CN2Cc2csc(C)n2)N(C)C1 ZINC000328948685 673069654 /nfs/dbraw/zinc/06/96/54/673069654.db2.gz BVKGFNJZJJCKCK-TUUVXOQKSA-N 1 0 370.494 2.040 20 30 FEEDRO CCCS(=O)(=O)Nc1ccc(NC(=O)[C@@H]([NH3+])CCCCC#N)cc1 ZINC000594430834 673070764 /nfs/dbraw/zinc/07/07/64/673070764.db2.gz BPIFBOWUWMYKPJ-HNNXBMFYSA-N 1 0 352.460 2.188 20 30 FEEDRO O=C(NCCc1cc(Cl)c2c(c1)OCCO2)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000329303845 673075381 /nfs/dbraw/zinc/07/53/81/673075381.db2.gz ODDRNIDGUROEFX-ZDUSSCGKSA-N 1 0 365.861 2.394 20 30 FEEDRO CC(C)(C)[N@@H+]1CC[C@@H](CNS(=O)(=O)Cc2ccc(C#N)cc2F)C1 ZINC000594789779 673143458 /nfs/dbraw/zinc/14/34/58/673143458.db2.gz KRZWMFOXJCXYSF-AWEZNQCLSA-N 1 0 353.463 2.237 20 30 FEEDRO C[NH+](C)CCn1nnnc1SCc1ccc(C#N)cc1C(F)(F)F ZINC000594888720 673175666 /nfs/dbraw/zinc/17/56/66/673175666.db2.gz CCWMGNDUTJJKLX-UHFFFAOYSA-N 1 0 356.377 2.417 20 30 FEEDRO C[C@H]1CC[C@H]([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CS1(=O)=O ZINC000594975200 673181940 /nfs/dbraw/zinc/18/19/40/673181940.db2.gz MRQFGUSLDFMKIZ-KXBFYZLASA-N 1 0 361.511 2.078 20 30 FEEDRO C=CCCSCC[NH2+]C1CCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1 ZINC000595058328 673189947 /nfs/dbraw/zinc/18/99/47/673189947.db2.gz HRBJMYNLLBHZGW-UHFFFAOYSA-N 1 0 372.560 2.079 20 30 FEEDRO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N[C@@H](CC[NH3+])C(F)F ZINC000595109793 673194709 /nfs/dbraw/zinc/19/47/09/673194709.db2.gz QFVNWDJMZPELQR-NSHDSACASA-N 1 0 359.423 2.342 20 30 FEEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000419885075 673195501 /nfs/dbraw/zinc/19/55/01/673195501.db2.gz YPXZXZCXXXPTHZ-RYUDHWBXSA-N 1 0 355.891 2.302 20 30 FEEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)NCC[C@@H](C)[NH+](C)C ZINC000595125883 673197993 /nfs/dbraw/zinc/19/79/93/673197993.db2.gz RLUKAWSVPKLUSX-ZIAGYGMSSA-N 1 0 362.499 2.333 20 30 FEEDRO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)Nc1scc(C(C)(C)C)c1C#N ZINC000595241615 673212698 /nfs/dbraw/zinc/21/26/98/673212698.db2.gz DMCTUBLQUZBZGL-CYBMUJFWSA-N 1 0 350.488 2.345 20 30 FEEDRO CCN1C(=O)[C@H](CC(=O)NCC[NH+](C)C)SC1=Nc1ccc(C)cc1 ZINC000730140605 673263859 /nfs/dbraw/zinc/26/38/59/673263859.db2.gz GOOIZPPPQWXRGP-HNNXBMFYSA-N 1 0 362.499 2.014 20 30 FEEDRO C=C(C)CN(CC)C(=O)C[NH2+]C1(CC(=O)OC(C)(C)C)CCOCC1 ZINC000595546013 673264371 /nfs/dbraw/zinc/26/43/71/673264371.db2.gz FQXJYODLAFHMLK-UHFFFAOYSA-N 1 0 354.491 2.282 20 30 FEEDRO N#Cc1ccc(CNC(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)cc1Cl ZINC000595601170 673272379 /nfs/dbraw/zinc/27/23/79/673272379.db2.gz NYCUBQPDIMLMRE-INIZCTEOSA-N 1 0 362.861 2.264 20 30 FEEDRO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)N1CCN(c2ccsc2C#N)CC1 ZINC000595661487 673280116 /nfs/dbraw/zinc/28/01/16/673280116.db2.gz CEMNPUKDUMMGCP-CQSZACIVSA-N 1 0 361.515 2.324 20 30 FEEDRO N#Cc1sccc1N1CCN(C(=O)[C@@H]2[NH2+]CCc3ccccc32)CC1 ZINC000595959834 673343826 /nfs/dbraw/zinc/34/38/26/673343826.db2.gz HCSCYUAXUQQYLJ-GOSISDBHSA-N 1 0 352.463 2.155 20 30 FEEDRO COc1cc(C=NNC(=S)NCCC[NH+](C)C)cc(Cl)c1OC ZINC000731929280 673348326 /nfs/dbraw/zinc/34/83/26/673348326.db2.gz UQDVGJDIJZRSEX-UHFFFAOYSA-N 1 0 358.895 2.107 20 30 FEEDRO C[NH+](C)CCn1nnnc1SCc1cc(Cl)ccc1OCC#N ZINC000735233271 673486906 /nfs/dbraw/zinc/48/69/06/673486906.db2.gz OXKLIUTULKZMCW-UHFFFAOYSA-N 1 0 352.851 2.083 20 30 FEEDRO C[NH+](C)CCCNC(=S)NN=Cc1sc(N2CCCC2)nc1Cl ZINC000735971861 673510039 /nfs/dbraw/zinc/51/00/39/673510039.db2.gz ZRIJVLLNEJSGRX-UHFFFAOYSA-N 1 0 374.967 2.146 20 30 FEEDRO CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000597862261 673513807 /nfs/dbraw/zinc/51/38/07/673513807.db2.gz YTIPLGCRKLJZQV-LIRRHRJNSA-N 1 0 351.491 2.485 20 30 FEEDRO CC(C)(C#N)C[C@@H](O)C[NH+]1CCN([C@@H](CO)c2ccc(Cl)cc2)CC1 ZINC000598592805 673587047 /nfs/dbraw/zinc/58/70/47/673587047.db2.gz NHOIWDILLGWUCD-MSOLQXFVSA-N 1 0 365.905 2.292 20 30 FEEDRO Cc1ccc([C@H]([NH2+]C[C@@H](O)CC(C)(C)C#N)[C@H](C)S(C)(=O)=O)cc1 ZINC000598611340 673590202 /nfs/dbraw/zinc/59/02/02/673590202.db2.gz MRFLQGZAGPBHTC-BHYGNILZSA-N 1 0 352.500 2.360 20 30 FEEDRO C[C@@H](CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)[NH+]1CCCCC1 ZINC000543248604 673635877 /nfs/dbraw/zinc/63/58/77/673635877.db2.gz HWABKNSVKUHOFX-ZDUSSCGKSA-N 1 0 366.443 2.009 20 30 FEEDRO N#CC1(C[C@H](O)C[NH+]2CCC3(CC2)C(F)(F)C3(F)F)CCOCC1 ZINC000599451522 673677138 /nfs/dbraw/zinc/67/71/38/673677138.db2.gz ZFSOEBUTOSHIGS-LBPRGKRZSA-N 1 0 350.356 2.424 20 30 FEEDRO C[C@H]1CC(=NNS(=O)(=O)c2ccc(Br)cc2)CC[N@@H+]1C ZINC000741451260 673687307 /nfs/dbraw/zinc/68/73/07/673687307.db2.gz FAMXROAQBWNWLY-JTQLQIEISA-N 1 0 360.277 2.198 20 30 FEEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000599894959 673726919 /nfs/dbraw/zinc/72/69/19/673726919.db2.gz AJRXKOGNAWSGGQ-MCIONIFRSA-N 1 0 360.483 2.134 20 30 FEEDRO Cc1c2cc(C#N)ccc2sc1C(=O)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000599939043 673729134 /nfs/dbraw/zinc/72/91/34/673729134.db2.gz GBZMWRQCQBHSBH-HUUCEWRRSA-N 1 0 355.463 2.363 20 30 FEEDRO C[C@@H]1C[C@@H](C)CN(C(C)(C)C[NH2+]C[C@@H](O)CC2(C#N)CCOCC2)C1 ZINC000600717846 673794281 /nfs/dbraw/zinc/79/42/81/673794281.db2.gz COTHZLWHDZZHKG-KURKYZTESA-N 1 0 351.535 2.404 20 30 FEEDRO N#CC1(C[C@H](O)C[NH2+]CCNc2ncc(Cl)cc2Cl)CCOCC1 ZINC000600717870 673794286 /nfs/dbraw/zinc/79/42/86/673794286.db2.gz STIHXUMUTBSNOV-ZDUSSCGKSA-N 1 0 373.284 2.461 20 30 FEEDRO N#CC1(C[C@H](O)C[NH2+]Cc2cccc3c2OC(F)(F)O3)CCOCC1 ZINC000600742978 673796012 /nfs/dbraw/zinc/79/60/12/673796012.db2.gz GQLPFPSWHRIWRQ-ZDUSSCGKSA-N 1 0 354.353 2.169 20 30 FEEDRO C[NH+](C)[C@@H](CNS(=O)(=O)c1ccccc1CC#N)Cc1ccccc1 ZINC000601288338 673838183 /nfs/dbraw/zinc/83/81/83/673838183.db2.gz UQTIQCUDXZJVLP-GOSISDBHSA-N 1 0 357.479 2.204 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)S(=O)(=O)C[C@H]1CCC1(F)F ZINC000601308903 673840925 /nfs/dbraw/zinc/84/09/25/673840925.db2.gz ZVLWFSDKIKFQJW-MRXNPFEDSA-N 1 0 371.453 2.297 20 30 FEEDRO Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000601319581 673841933 /nfs/dbraw/zinc/84/19/33/673841933.db2.gz PLXDYXODIQZOGV-MRXNPFEDSA-N 1 0 351.447 2.255 20 30 FEEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)S(=O)(=O)CCOC(C)(C)C ZINC000601321408 673842455 /nfs/dbraw/zinc/84/24/55/673842455.db2.gz LUHKDCZCFATHCF-UHFFFAOYSA-N 1 0 367.515 2.067 20 30 FEEDRO N#CCc1ccccc1S(=O)(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000601376657 673851600 /nfs/dbraw/zinc/85/16/00/673851600.db2.gz NMOQYQPZJIVRAJ-SJLPKXTDSA-N 1 0 359.495 2.390 20 30 FEEDRO C[C@H]1[C@H]([NH+](C)C)CCN1S(=O)(=O)c1cc(Br)ccc1C#N ZINC000601419947 673859338 /nfs/dbraw/zinc/85/93/38/673859338.db2.gz BFQJSTDFWICIML-GXFFZTMASA-N 1 0 372.288 2.034 20 30 FEEDRO Cc1cc(F)cc(C#N)c1S(=O)(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000601462402 673866775 /nfs/dbraw/zinc/86/67/75/673866775.db2.gz ZOOOLXFXNMXLCZ-CYBMUJFWSA-N 1 0 353.463 2.405 20 30 FEEDRO N#CCCN1CCN(C(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)CC1 ZINC000601567214 673882619 /nfs/dbraw/zinc/88/26/19/673882619.db2.gz SKCGHGXWZBOZIH-UHFFFAOYSA-N 1 0 355.364 2.227 20 30 FEEDRO N#Cc1ccccc1OC[C@H](O)C[NH2+]C[C@@H](CO)c1ccc(Cl)cc1 ZINC000601969825 673900590 /nfs/dbraw/zinc/90/05/90/673900590.db2.gz FOQTVTCSWKLTLZ-FUHWJXTLSA-N 1 0 360.841 2.317 20 30 FEEDRO N#Cc1ccc(Br)c(Cn2cc([C@@H]([NH3+])[C@@H]3CCCO3)nn2)c1 ZINC000603242357 673919460 /nfs/dbraw/zinc/91/94/60/673919460.db2.gz SYJNPVOWWOTPLP-LSDHHAIUSA-N 1 0 362.231 2.139 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)CSc1nc(-c2cccc(C)c2)no1 ZINC000818588924 675226124 /nfs/dbraw/zinc/22/61/24/675226124.db2.gz JOMOCDKJFHDXGF-UHFFFAOYSA-N 1 0 358.467 2.208 20 30 FEEDRO CSC1(CNS(=O)(=O)c2ccc(Cl)c(C#N)c2)CC[NH+](C)CC1 ZINC000566684986 675235034 /nfs/dbraw/zinc/23/50/34/675235034.db2.gz FAXUAANOBRINJX-UHFFFAOYSA-N 1 0 373.931 2.317 20 30 FEEDRO N#Cc1cccnc1NCC[NH2+]C[C@H](O)c1cccc(Br)c1 ZINC000818976243 675249106 /nfs/dbraw/zinc/24/91/06/675249106.db2.gz XWZPXJCLJRYVAS-HNNXBMFYSA-N 1 0 361.243 2.451 20 30 FEEDRO C=CCOc1ccccc1C[NH2+]C[C@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000819049431 675255517 /nfs/dbraw/zinc/25/55/17/675255517.db2.gz JNWGLTDLLYABEO-SFHVURJKSA-N 1 0 361.463 2.478 20 30 FEEDRO C#CCNC(=O)CC[NH2+][C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000819066955 675257983 /nfs/dbraw/zinc/25/79/83/675257983.db2.gz DLALJHQVRFXIIC-INIZCTEOSA-N 1 0 353.388 2.009 20 30 FEEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000567643531 675309250 /nfs/dbraw/zinc/30/92/50/675309250.db2.gz BUBIUBNNPYAZRV-LBPRGKRZSA-N 1 0 355.891 2.113 20 30 FEEDRO CC(C)Oc1ccc(NC(=S)NN=C2CC[NH+](CCO)CC2)cc1 ZINC000819806895 675316163 /nfs/dbraw/zinc/31/61/63/675316163.db2.gz BBBCYENYJNZDJM-UHFFFAOYSA-N 1 0 350.488 2.204 20 30 FEEDRO CC#CCS(=O)(=O)c1cccc(C(=O)NC2CCC([NH+](C)C)CC2)c1 ZINC000823119268 675530467 /nfs/dbraw/zinc/53/04/67/675530467.db2.gz LCNSGSFCAIFNFV-UHFFFAOYSA-N 1 0 362.495 2.086 20 30 FEEDRO O=C(C#Cc1cccs1)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000824926890 675629237 /nfs/dbraw/zinc/62/92/37/675629237.db2.gz WRSHAWLJLVKWIP-UHFFFAOYSA-N 1 0 353.491 2.428 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)C1CCN(C(=O)OC)CC1)C(C)C ZINC000827518677 675761744 /nfs/dbraw/zinc/76/17/44/675761744.db2.gz BTOFRTSFCMRNLL-KRWDZBQOSA-N 1 0 351.491 2.280 20 30 FEEDRO C=CCOc1ccc(Br)cc1NC(=O)NCCOCC[NH2+]C ZINC000625893464 676677585 /nfs/dbraw/zinc/67/75/85/676677585.db2.gz UQNRJOOLGCQNRY-UHFFFAOYSA-N 1 0 372.263 2.371 20 30 FEEDRO C=CCC1([NH2+]CC(=O)NCCCN(C(C)C)S(C)(=O)=O)CCCCC1 ZINC000625935734 676679079 /nfs/dbraw/zinc/67/90/79/676679079.db2.gz LDOYOTKXWIQYNV-UHFFFAOYSA-N 1 0 373.563 2.031 20 30 FEEDRO C=CCc1ccc(OC[C@H](O)CN2CCO[C@@H](CCF)C2)c(OC)c1 ZINC000625999866 676682867 /nfs/dbraw/zinc/68/28/67/676682867.db2.gz DYAUHVMRULMKCD-SJORKVTESA-N 1 0 353.434 2.224 20 30 FEEDRO O=C(Nc1cccc(C#Cc2cccs2)c1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000677854064 679701128 /nfs/dbraw/zinc/70/11/28/679701128.db2.gz SKBDPNRGGCZJAL-LJQANCHMSA-N 1 0 351.475 2.476 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)CCC(=O)Nc2c(F)cccc2F)CC1 ZINC000635531222 677101328 /nfs/dbraw/zinc/10/13/28/677101328.db2.gz RBEWFFJRASTWSZ-UHFFFAOYSA-N 1 0 351.397 2.450 20 30 FEEDRO C=CCNS(=O)(=O)c1ccccc1N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000641406273 677204731 /nfs/dbraw/zinc/20/47/31/677204731.db2.gz OOILOUFGLHBKQD-INIZCTEOSA-N 1 0 351.516 2.319 20 30 FEEDRO C=CCC[C@H](NC(=O)C(=O)NC[C@@H](C)[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000642747258 677221821 /nfs/dbraw/zinc/22/18/21/677221821.db2.gz MQXMZYVFQXUBKU-RISCZKNCSA-N 1 0 357.376 2.292 20 30 FEEDRO C#C[C@@H](NC(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1)[C@H]1CCCO1 ZINC000838558128 680701270 /nfs/dbraw/zinc/70/12/70/680701270.db2.gz DKEOVEWFUCDTSR-HUUCEWRRSA-N 1 0 361.408 2.225 20 30 FEEDRO C=C(C)[C@@H](NC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)c1ccc(F)c(F)c1 ZINC000654534750 677587017 /nfs/dbraw/zinc/58/70/17/677587017.db2.gz OYSTVHIHTDMEQD-JJRVBVJISA-N 1 0 351.397 2.042 20 30 FEEDRO N#C[C@H](c1ccc(Br)cc1)N1CC[NH+](C[C@H](O)C2CC2)CC1 ZINC000838908559 680727148 /nfs/dbraw/zinc/72/71/48/680727148.db2.gz GGUDRIVCKGLRMJ-SJORKVTESA-N 1 0 364.287 2.402 20 30 FEEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1S[C@@H]1CCN(CC)C1=O ZINC000657237879 677987143 /nfs/dbraw/zinc/98/71/43/677987143.db2.gz JLZSSJOMPGOQEA-OAHLLOKOSA-N 1 0 363.531 2.205 20 30 FEEDRO C=CCCn1cc(C[NH2+]CCCCn2cc(Br)cn2)nn1 ZINC000657453181 678001207 /nfs/dbraw/zinc/00/12/07/678001207.db2.gz RSLYQBOOOXETND-UHFFFAOYSA-N 1 0 353.268 2.383 20 30 FEEDRO C=CCOCCCC(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(OC)c(F)c1 ZINC000659356112 678167581 /nfs/dbraw/zinc/16/75/81/678167581.db2.gz RZUIOALLIFJENN-RDJZCZTQSA-N 1 0 350.434 2.379 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CC[C@@H]2NC(=O)CC[C@@H]2C1 ZINC000661597636 678508855 /nfs/dbraw/zinc/50/88/55/678508855.db2.gz MBZWBZZHMUGTNA-UXLLHSPISA-N 1 0 361.511 2.252 20 30 FEEDRO C=CC[C@@]1(C(=O)NCC(=O)Nc2ccc(Br)cc2)CCC[NH2+]1 ZINC000662514334 678631949 /nfs/dbraw/zinc/63/19/49/678631949.db2.gz MLLXNPLMOTZESO-INIZCTEOSA-N 1 0 366.259 2.202 20 30 FEEDRO C=CC[C@@]1(C(=O)N[C@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)CCC[NH2+]1 ZINC000662799267 678662700 /nfs/dbraw/zinc/66/27/00/678662700.db2.gz IDWQOBTUQONWPH-YJBOKZPZSA-N 1 0 365.836 2.399 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CC[NH+](C(C)(C)CO)CC1 ZINC000673894920 679453758 /nfs/dbraw/zinc/45/37/58/679453758.db2.gz INKYIWQMNYYQKI-INIZCTEOSA-N 1 0 365.543 2.040 20 30 FEEDRO C#CCC[NH+]1CCC(NS(=O)(=O)c2ccc(C(=O)C(C)C)cc2)CC1 ZINC000840952020 680856601 /nfs/dbraw/zinc/85/66/01/680856601.db2.gz PJHHHKXSSLLRFP-UHFFFAOYSA-N 1 0 362.495 2.291 20 30 FEEDRO COc1c(Br)cc(Cl)cc1NC(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000841109812 680863866 /nfs/dbraw/zinc/86/38/66/680863866.db2.gz PCGYLLWRJOHXHL-WRWORJQWSA-N 1 0 373.638 2.344 20 30 FEEDRO Cc1ccc(Cc2cnc(NC(=O)N[C@@H]3C[NH2+]C[C@H]3C#N)s2)cc1F ZINC000841020484 680860340 /nfs/dbraw/zinc/86/03/40/680860340.db2.gz RXKVUJDACMFQNW-IUODEOHRSA-N 1 0 359.430 2.415 20 30 FEEDRO C=C(C)CNC(=S)NCCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000747766078 679902253 /nfs/dbraw/zinc/90/22/53/679902253.db2.gz QEJMNWSHTPLMMQ-UHFFFAOYSA-N 1 0 362.543 2.248 20 30 FEEDRO C#CCNC(=O)C1CC[NH+](CCOc2ccc(Br)cc2)CC1 ZINC000747823772 679905159 /nfs/dbraw/zinc/90/51/59/679905159.db2.gz UNNVIFZBXZQQCF-UHFFFAOYSA-N 1 0 365.271 2.289 20 30 FEEDRO C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H](c1cccc(C#N)c1)C(F)(F)F ZINC000831105348 679924284 /nfs/dbraw/zinc/92/42/84/679924284.db2.gz DPIZATRCZMEJLG-WFASDCNBSA-N 1 0 355.360 2.246 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[N@@H+](CC2CCOCC2)CC1(C)C ZINC000974588220 679960529 /nfs/dbraw/zinc/96/05/29/679960529.db2.gz OQDJEJCKPKHDGF-SQNIBIBYSA-N 1 0 350.503 2.221 20 30 FEEDRO C[C@@H]1[C@H](C(=O)N[C@@H]2CCN(CC#Cc3ccc(Cl)cc3)C2)CC[N@@H+]1C ZINC001014475087 680038468 /nfs/dbraw/zinc/03/84/68/680038468.db2.gz KQVYRQIRVUYVQH-ATZDWAIDSA-N 1 0 359.901 2.222 20 30 FEEDRO C[N@H+](CC1CC1)C[C@H]1CCN(S(=O)(=O)c2cccc(F)c2C#N)C1 ZINC000751476322 680180813 /nfs/dbraw/zinc/18/08/13/680180813.db2.gz RLNSXOBTMPNNJG-CQSZACIVSA-N 1 0 351.447 2.050 20 30 FEEDRO C[C@H](Sc1ccc(Br)cc1)C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000834488344 680233745 /nfs/dbraw/zinc/23/37/45/680233745.db2.gz BSEUODPHZKHTDT-KWBADKCTSA-N 1 0 354.273 2.157 20 30 FEEDRO Cc1cc(Br)ccc1SCC(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000834493161 680234383 /nfs/dbraw/zinc/23/43/83/680234383.db2.gz BFOHTIXLEHGBFF-PWSUYJOCSA-N 1 0 354.273 2.077 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2csnc2OC)C1 ZINC001022834552 680241014 /nfs/dbraw/zinc/24/10/14/680241014.db2.gz YPVFSYLOKCXZGQ-FZKCQIBNSA-N 1 0 365.499 2.260 20 30 FEEDRO C=CCS(=O)(=O)CC[NH2+][C@H](CC)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000834761676 680264416 /nfs/dbraw/zinc/26/44/16/680264416.db2.gz RKPVGIJAYQCNEY-HUUCEWRRSA-N 1 0 360.520 2.355 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC2(C1)CCC[N@@H+]([C@H](C)COC)C2 ZINC000982061406 680265483 /nfs/dbraw/zinc/26/54/83/680265483.db2.gz TXKUMHDVIPZDSP-SQNIBIBYSA-N 1 0 350.503 2.317 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]Cc2nnc(CC)s2)C1 ZINC001024165986 680282727 /nfs/dbraw/zinc/28/27/27/680282727.db2.gz ZPOHIAAETBCPSR-ZNMIVQPWSA-N 1 0 364.515 2.020 20 30 FEEDRO Cc1cc(Br)c(C[NH2+]CCNC(=O)C2N=CC=CC2=O)s1 ZINC000835039970 680289625 /nfs/dbraw/zinc/28/96/25/680289625.db2.gz NTNSDXQIOZIWEX-YPKPFQOOSA-N 1 0 370.272 2.435 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2csnc2OC)C1 ZINC000983697928 680322132 /nfs/dbraw/zinc/32/21/32/680322132.db2.gz HWIQVFFRRVKNJP-MIGQKNRLSA-N 1 0 365.499 2.117 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC([NH2+]C[C@@H]2CC(C)(C)CO2)CC1 ZINC000997082374 680346784 /nfs/dbraw/zinc/34/67/84/680346784.db2.gz AKDSUMGZGXLGQC-BZSNNMDCSA-N 1 0 350.503 2.363 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC([NH2+]Cc2nnc(CC)s2)CC1 ZINC000997081261 680346919 /nfs/dbraw/zinc/34/69/19/680346919.db2.gz URJFWEWCOBPTSG-YOEHRIQHSA-N 1 0 364.515 2.162 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CCc2scnc2C)C1 ZINC001028548451 680373166 /nfs/dbraw/zinc/37/31/66/680373166.db2.gz AQTZNXPQNXSNOE-BBWFWOEESA-N 1 0 363.527 2.413 20 30 FEEDRO C=C(C)CC[N@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CN(C)C[C@@H](C)O2)CC1 ZINC000998046863 680373396 /nfs/dbraw/zinc/37/33/96/680373396.db2.gz PFDGTFFQCUGVKT-CEXWTWQISA-N 1 0 351.535 2.375 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1CC[N@H+](CCOC2CCC2)C1 ZINC001028856015 680385226 /nfs/dbraw/zinc/38/52/26/680385226.db2.gz UPIZHIFHSKRKCV-NEWSRXKRSA-N 1 0 350.503 2.365 20 30 FEEDRO CC(C)[NH+]1CCC(NC(=O)COC(=O)c2ccc(Cl)c(C#N)c2)CC1 ZINC000754897832 680387544 /nfs/dbraw/zinc/38/75/44/680387544.db2.gz ANVGVRYARCWQDO-UHFFFAOYSA-N 1 0 363.845 2.357 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2ncc(Cl)s2)C1 ZINC000999429333 680403266 /nfs/dbraw/zinc/40/32/66/680403266.db2.gz ZOXXKHCGACJFTL-TUUUFIMRSA-N 1 0 355.891 2.467 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N(CC)[C@H]1CC[N@H+](CC2CCOCC2)C1 ZINC001033837295 680425923 /nfs/dbraw/zinc/42/59/23/680425923.db2.gz MKXZETYAQBQIGS-OTWHNJEPSA-N 1 0 350.503 2.317 20 30 FEEDRO C[NH+](C)CCCNC(=S)NN=Cc1c[nH]nc1-c1c(F)cccc1F ZINC000755722336 680431284 /nfs/dbraw/zinc/43/12/84/680431284.db2.gz NYULVYRVKYUWLN-UHFFFAOYSA-N 1 0 366.441 2.105 20 30 FEEDRO C=C(Br)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)CC1 ZINC001034664906 680437543 /nfs/dbraw/zinc/43/75/43/680437543.db2.gz VSRBLVJGONCOOI-AAVRWANBSA-N 1 0 367.291 2.439 20 30 FEEDRO C=C(Cl)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1OC[C@@H]3COCC[C@H]13)CC2 ZINC001035209586 680443970 /nfs/dbraw/zinc/44/39/70/680443970.db2.gz OATPQSCITVGUBR-YESZJQIVSA-N 1 0 368.905 2.105 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)NCC1CC[NH+](C[C@@H]2CCCOC2)CC1 ZINC001001414165 680461288 /nfs/dbraw/zinc/46/12/88/680461288.db2.gz UQPLOTWSHCDHBI-OTWHNJEPSA-N 1 0 350.503 2.222 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC([N@H+](C)Cc2snnc2C)CC1 ZINC000985695511 680471463 /nfs/dbraw/zinc/47/14/63/680471463.db2.gz XIKBCMCYCZZSJA-RDJZCZTQSA-N 1 0 364.515 2.251 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)NC[C@H](O)c1c(Cl)cccc1Cl ZINC000836488715 680476335 /nfs/dbraw/zinc/47/63/35/680476335.db2.gz MCEPVBAAJMLNLF-AWEZNQCLSA-N 1 0 358.269 2.281 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)NCc1c(Cl)cccc1-n1ccnc1 ZINC000836491322 680477005 /nfs/dbraw/zinc/47/70/05/680477005.db2.gz QINRIWJQRJJXKX-UHFFFAOYSA-N 1 0 359.861 2.280 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001001934515 680482445 /nfs/dbraw/zinc/48/24/45/680482445.db2.gz QOYRMBUZAKCBAK-FHWLQOOXSA-N 1 0 350.503 2.222 20 30 FEEDRO C=C(Cl)C(C)(C)C(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@@H]2C1 ZINC000986129131 680496276 /nfs/dbraw/zinc/49/62/76/680496276.db2.gz CGKHVVQGGGCWNW-OAGGEKHMSA-N 1 0 367.921 2.024 20 30 FEEDRO CCS(=O)(=O)N1CCC(C[NH2+][C@@H](C)c2ccc(OCC#N)cc2)CC1 ZINC000757702244 680532658 /nfs/dbraw/zinc/53/26/58/680532658.db2.gz CGIFCSORCXNNGX-HNNXBMFYSA-N 1 0 365.499 2.301 20 30 FEEDRO C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1Nc1nc(Cl)c(C#N)s1 ZINC001043585000 680589681 /nfs/dbraw/zinc/58/96/81/680589681.db2.gz HOPQPWPOGUTLFY-ZYHUDNBSSA-N 1 0 367.906 2.411 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001006109488 680593713 /nfs/dbraw/zinc/59/37/13/680593713.db2.gz UWLHVBXOCVTPCA-NEWSRXKRSA-N 1 0 350.503 2.317 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)NC1(C)CC[NH+](CCn2cc(Cl)cn2)CC1 ZINC001045563906 680634736 /nfs/dbraw/zinc/63/47/36/680634736.db2.gz QNSAVPLOXVFSDS-CVEARBPZSA-N 1 0 366.893 2.098 20 30 FEEDRO C#CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3C[C@H]3c3ccc(C)s3)CC2)C1 ZINC001046068777 680643467 /nfs/dbraw/zinc/64/34/67/680643467.db2.gz TUQJBKHBWKGQFL-KZNAEPCWSA-N 1 0 357.523 2.012 20 30 FEEDRO C=C(Cl)CN1CCC[C@H](NC(=O)[C@@H]2CCCO[C@H]2c2cnn(C)c2)C1 ZINC001007519230 680645842 /nfs/dbraw/zinc/64/58/42/680645842.db2.gz MGMMEGLCIKOQLA-BBWFWOEESA-N 1 0 366.893 2.221 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1C[N@H+](CCC2CCCCC2)C[C@@H]1O ZINC001047533372 680665295 /nfs/dbraw/zinc/66/52/95/680665295.db2.gz LQJQGWLRNKRIKR-XWSJACJDSA-N 1 0 350.503 2.051 20 30 FEEDRO CCOC(=O)c1cc2cc(NC(=O)N[C@@H]3C[NH2+]C[C@@H]3C#N)ccc2s1 ZINC000841162234 680866881 /nfs/dbraw/zinc/86/68/81/680866881.db2.gz RJWQPCCTVMWLFV-WCQYABFASA-N 1 0 358.423 2.311 20 30 FEEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)Nc1ccc(F)cc1OCCC(F)(F)F ZINC000841229894 680870255 /nfs/dbraw/zinc/87/02/55/680870255.db2.gz HAVFDQMNQSTGBU-CABZTGNLSA-N 1 0 360.311 2.390 20 30 FEEDRO Cc1nc(NC(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)sc1Cc1ccccc1F ZINC000841258832 680871952 /nfs/dbraw/zinc/87/19/52/680871952.db2.gz HQLPPSWUQZGZMG-JSGCOSHPSA-N 1 0 359.430 2.415 20 30 FEEDRO CC[C@@H](C#N)Oc1cccc(CNC(=O)N[C@@H]2C[NH2+]CCC2(F)F)c1 ZINC000841816286 680913693 /nfs/dbraw/zinc/91/36/93/680913693.db2.gz ACMGWSPAQFLYFU-DZGCQCFKSA-N 1 0 352.385 2.164 20 30 FEEDRO CN(C)c1ccc(C(N)=[NH+]OCc2nn(C)cc2Br)cc1 ZINC000842021629 680922409 /nfs/dbraw/zinc/92/24/09/680922409.db2.gz CGZYJFDPAQQYRC-UHFFFAOYSA-N 1 0 352.236 2.086 20 30 FEEDRO C#CC[C@H]1NC(=O)N(C[C@@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)C1=O ZINC000842239970 680934304 /nfs/dbraw/zinc/93/43/04/680934304.db2.gz LEXMZNLQAYNOSX-KGLIPLIRSA-N 1 0 353.344 2.252 20 30 FEEDRO C#CCNC(=O)C1CC[NH+](Cc2cc(Br)ccc2O)CC1 ZINC000769022026 680968163 /nfs/dbraw/zinc/96/81/63/680968163.db2.gz PZMNPILCUONRFW-UHFFFAOYSA-N 1 0 351.244 2.116 20 30 FEEDRO C[C@@H](C[C@H](O)c1ccccc1)[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000843087203 680986811 /nfs/dbraw/zinc/98/68/11/680986811.db2.gz JINZKEKBTZAURH-KXBFYZLASA-N 1 0 358.463 2.434 20 30 FEEDRO C[C@H](C[C@H](O)c1ccccc1)[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000843087189 680986817 /nfs/dbraw/zinc/98/68/17/680986817.db2.gz JINZKEKBTZAURH-BEFAXECRSA-N 1 0 358.463 2.434 20 30 FEEDRO Cc1cc(C)cc([C@H](O)C[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)c1 ZINC000843096236 680987380 /nfs/dbraw/zinc/98/73/80/680987380.db2.gz YGFTVYNQRCTTDN-LJQANCHMSA-N 1 0 358.463 2.272 20 30 FEEDRO N#Cc1ccc(C[N@H+]2CC[C@H]3[C@H]2CCCN3C(=O)[C@]23C[C@H]2COC3)s1 ZINC001049492395 681033313 /nfs/dbraw/zinc/03/33/13/681033313.db2.gz UNQNKYYFNPWQSM-CZANMRCUSA-N 1 0 357.479 2.222 20 30 FEEDRO C[C@@H]1[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)CCN1c1nc(Cl)c(C#N)s1 ZINC001050454891 681048427 /nfs/dbraw/zinc/04/84/27/681048427.db2.gz PZRIXRDWNKTKBN-UTUOFQBUSA-N 1 0 367.906 2.093 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(C1)CC[NH+](Cc1cnc(C)s1)CC2 ZINC001050670538 681053401 /nfs/dbraw/zinc/05/34/01/681053401.db2.gz NHRJDJLBSBCGHP-SJORKVTESA-N 1 0 361.511 2.467 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)O[C@H](C)C(=O)NCc2ccc(Cl)cc2)CC1 ZINC000772124483 681086847 /nfs/dbraw/zinc/08/68/47/681086847.db2.gz ZDTDRGRJWVFBCH-CQSZACIVSA-N 1 0 362.857 2.233 20 30 FEEDRO C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1CNc1nc(Cl)c(C#N)s1 ZINC001054405933 681107368 /nfs/dbraw/zinc/10/73/68/681107368.db2.gz AFTGJGICLBPVSO-GRYCIOLGSA-N 1 0 367.906 2.126 20 30 FEEDRO Cc1nsc(NC[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]2C)c1C#N ZINC001054426327 681108585 /nfs/dbraw/zinc/10/85/85/681108585.db2.gz UBFQTWCBTBHQMB-XNRPHZJLSA-N 1 0 363.531 2.416 20 30 FEEDRO Cc1nsc(NC[C@@H]2CN(C(=O)C[N@@H+]3CCC[C@H]3C)C[C@H]2C)c1C#N ZINC001054571907 681113446 /nfs/dbraw/zinc/11/34/46/681113446.db2.gz QSOFRRUPQDMGOS-UMVBOHGHSA-N 1 0 361.515 2.314 20 30 FEEDRO C#C[C@H](NC(=O)NCC1CC[NH+](Cc2cccs2)CC1)[C@@H]1CCCO1 ZINC000773258110 681133360 /nfs/dbraw/zinc/13/33/60/681133360.db2.gz BYBZKWSVMMSCII-ROUUACIJSA-N 1 0 361.511 2.440 20 30 FEEDRO C=C(C)CONC(=O)N[C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000845596453 681140402 /nfs/dbraw/zinc/14/04/02/681140402.db2.gz WGLNSGLOOXLUBJ-CQSZACIVSA-N 1 0 350.438 2.445 20 30 FEEDRO C#C[C@H](NC(=O)NCC1([NH+]2CCSCC2)CCCCC1)[C@H]1CCCO1 ZINC000773555918 681148106 /nfs/dbraw/zinc/14/81/06/681148106.db2.gz GNEALJHSQOWNBQ-DLBZAZTESA-N 1 0 365.543 2.218 20 30 FEEDRO C[C@@H]1[C@H](C(=O)N2CC[C@@H](N(C)c3nc(C#N)c(Cl)s3)C2)CC[N@@H+]1C ZINC001057052936 681158436 /nfs/dbraw/zinc/15/84/36/681158436.db2.gz SIUYJTIPOLVGET-IJLUTSLNSA-N 1 0 367.906 2.045 20 30 FEEDRO N#Cc1cc(NC(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)c(F)cc1F ZINC000932209955 681196836 /nfs/dbraw/zinc/19/68/36/681196836.db2.gz JOQHTNJLFKWBCI-CYBMUJFWSA-N 1 0 350.369 2.211 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](C[C@@H](CC)OC)C[C@H]2CC1 ZINC000946787912 681261075 /nfs/dbraw/zinc/26/10/75/681261075.db2.gz GJSWMWFKUGUVGL-ZRSRNVLSSA-N 1 0 350.503 2.173 20 30 FEEDRO C[C@@H]([NH2+]CC(=O)Nc1cccc(S(C)(=O)=O)c1)c1ccc(C#N)cc1 ZINC000775160511 681279594 /nfs/dbraw/zinc/27/95/94/681279594.db2.gz GXZRDNVVEVANSF-CYBMUJFWSA-N 1 0 357.435 2.251 20 30 FEEDRO C[NH+](C)C[C@@H]1COC2(CCCC2)CN1C(=O)N[C@H](CC#N)C(F)(F)F ZINC000932892345 681323687 /nfs/dbraw/zinc/32/36/87/681323687.db2.gz GYQFERHSSLXENI-CHWSQXEVSA-N 1 0 362.396 2.116 20 30 FEEDRO C[NH+](C)CCOc1ccc(CNC(=O)N[C@@H](CC#N)C(F)(F)F)cc1 ZINC000932928165 681330160 /nfs/dbraw/zinc/33/01/60/681330160.db2.gz XWDIRMNTADLSCC-AWEZNQCLSA-N 1 0 358.364 2.271 20 30 FEEDRO C[N@@H+]1CCC[C@H](NC(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)C1 ZINC000847448358 681380464 /nfs/dbraw/zinc/38/04/64/681380464.db2.gz OZMKPHQHJUQQCW-GJZGRUSLSA-N 1 0 352.479 2.174 20 30 FEEDRO C#CCC[NH+]1CCN(C[C@@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000776593196 681412706 /nfs/dbraw/zinc/41/27/06/681412706.db2.gz SLEWRINYMWTEQC-CQSZACIVSA-N 1 0 357.281 2.374 20 30 FEEDRO O=C1C=COC2(CC[NH+](C[C@@H](O)COc3ccccc3Cl)CC2)C1 ZINC000933654035 681446074 /nfs/dbraw/zinc/44/60/74/681446074.db2.gz NLAXGPGHLKKFHW-OAHLLOKOSA-N 1 0 351.830 2.417 20 30 FEEDRO COC(=O)/C=C1/SCC(=O)N1CCC[N@H+](C)Cc1cc(C#N)cs1 ZINC000933774346 681467067 /nfs/dbraw/zinc/46/70/67/681467067.db2.gz OIVYYAKHWHEMHQ-VIZOYTHASA-N 1 0 365.480 2.031 20 30 FEEDRO COC(=O)[C@@H]1C[N@@H+]([C@@H](C)CCC#N)CC12CN(C(=O)OC(C)(C)C)C2 ZINC000934052946 681501816 /nfs/dbraw/zinc/50/18/16/681501816.db2.gz VGPBCYFWKJGQMD-KBPBESRZSA-N 1 0 351.447 2.021 20 30 FEEDRO C=C(C[NH+](C)C)C(=O)N1CCN(C(=O)C(F)(F)F)C2(CCCCC2)C1 ZINC000848357303 681529025 /nfs/dbraw/zinc/52/90/25/681529025.db2.gz PTSVPWQDAQLMOG-UHFFFAOYSA-N 1 0 361.408 2.040 20 30 FEEDRO N#Cc1ccc(CN2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)c(Br)c1 ZINC000934263055 681538089 /nfs/dbraw/zinc/53/80/89/681538089.db2.gz ARBLDAYGQVMBAN-IRXDYDNUSA-N 1 0 364.287 2.352 20 30 FEEDRO C#CC[N@H+](C)CCCNS(=O)(=O)c1ccc(-c2nc(C)cs2)cc1 ZINC000848456204 681549180 /nfs/dbraw/zinc/54/91/80/681549180.db2.gz CCXLUPAVEWIZKH-UHFFFAOYSA-N 1 0 363.508 2.352 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000778287381 681592832 /nfs/dbraw/zinc/59/28/32/681592832.db2.gz JVRJQULDAAFOJN-UHFFFAOYSA-N 1 0 351.353 2.291 20 30 FEEDRO COc1cc(C#N)ccc1C[NH+]1CCC(CN=[S@@](C)(=O)N(C)C)CC1 ZINC000934750727 681620665 /nfs/dbraw/zinc/62/06/65/681620665.db2.gz FUJZSMIUACXCHK-RUZDIDTESA-N 1 0 364.515 2.353 20 30 FEEDRO C=CCS(=O)(=O)CCNC(NCc1ccc(C)cc1)=[NH+]CCCC ZINC000849078822 681650270 /nfs/dbraw/zinc/65/02/70/681650270.db2.gz BNTPBWRCDZZAMV-UHFFFAOYSA-N 1 0 351.516 2.431 20 30 FEEDRO CCCC[NH+]=C(NCCC1CS(=O)(=O)C1)NCc1ccc(C)cc1 ZINC000849088907 681651526 /nfs/dbraw/zinc/65/15/26/681651526.db2.gz XBCMSPRFOKUUPZ-UHFFFAOYSA-N 1 0 351.516 2.265 20 30 FEEDRO C=C(C)[C@H]1OCC[C@H]1CNC(=[NH2+])N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000849106009 681654324 /nfs/dbraw/zinc/65/43/24/681654324.db2.gz OFKMEFYBKFWSFE-LSDHHAIUSA-N 1 0 352.479 2.045 20 30 FEEDRO C[NH+]=C(NCc1ccco1)NC[C@@H](O)c1ccccc1Br ZINC000849110480 681655055 /nfs/dbraw/zinc/65/50/55/681655055.db2.gz ZTKBHXZKKVPMGJ-CQSZACIVSA-N 1 0 352.232 2.441 20 30 FEEDRO CC(C)(C)OC(=O)N1CCN2C(NC[C@@H]3CCCC3(F)F)=[NH+]C[C@H]2C1 ZINC000849115489 681657518 /nfs/dbraw/zinc/65/75/18/681657518.db2.gz WDAGSZNYHLGQAQ-STQMWFEESA-N 1 0 358.433 2.302 20 30 FEEDRO C[NH+](C)CC(C)(C)CNC(=S)N1CCN(c2ccsc2C#N)CC1 ZINC000849275391 681675165 /nfs/dbraw/zinc/67/51/65/681675165.db2.gz NNMURNHBQHWZEK-UHFFFAOYSA-N 1 0 365.572 2.204 20 30 FEEDRO C=C(Cl)C(C)(C)C(=O)N1CC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC000950256086 681681104 /nfs/dbraw/zinc/68/11/04/681681104.db2.gz SSPKIAQIDVWSSF-QLFBSQMISA-N 1 0 355.910 2.213 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[NH+](CC[C@H]2CCCCO2)CC1 ZINC000951594603 681748976 /nfs/dbraw/zinc/74/89/76/681748976.db2.gz FQFZNKOSZUDIRL-QYZOEREBSA-N 1 0 350.503 2.461 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)NCc2cc(F)c(Cl)c([N+](=O)[O-])c2)CC1 ZINC000913385630 685476098 /nfs/dbraw/zinc/47/60/98/685476098.db2.gz AMZMSSAXXPVGLC-UHFFFAOYSA-N 1 0 353.781 2.349 20 30 FEEDRO Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)NCC#CC[NH+](C)C ZINC000913516044 685479230 /nfs/dbraw/zinc/47/92/30/685479230.db2.gz YFKHUVVMUQMJAH-UHFFFAOYSA-N 1 0 358.873 2.496 20 30 FEEDRO C[NH+](C)CC#CCNC(=O)CC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000913524642 685479238 /nfs/dbraw/zinc/47/92/38/685479238.db2.gz WDOZNZHEDXQMHQ-INIZCTEOSA-N 1 0 351.491 2.095 20 30 FEEDRO N#Cc1cc(CS(=O)(=O)N2CCC([NH+]3CCCCC3)CC2)cs1 ZINC000913937835 685489501 /nfs/dbraw/zinc/48/95/01/685489501.db2.gz CXPXMZBTUIFCET-UHFFFAOYSA-N 1 0 353.513 2.400 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNS(=O)(=O)c1cnc(Cl)n1C)C(C)C ZINC000780854075 681877735 /nfs/dbraw/zinc/87/77/35/681877735.db2.gz XUUKJDMZCIIYQA-CYBMUJFWSA-N 1 0 360.911 2.050 20 30 FEEDRO Cn1cc(C[NH2+]CC[S@](=O)CC(F)(F)F)c(-c2ccc(C#N)cc2)n1 ZINC000850348720 681888801 /nfs/dbraw/zinc/88/88/01/681888801.db2.gz SFEJOTAJEYPPGK-VWLOTQADSA-N 1 0 370.400 2.359 20 30 FEEDRO Cc1cc(C#N)cc(C)c1CS(=O)(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000914267246 685501679 /nfs/dbraw/zinc/50/16/79/685501679.db2.gz HCDMMBQCSPRMCR-HKUYNNGSSA-N 1 0 361.511 2.421 20 30 FEEDRO C[C@H](C(=O)N(C)CCC#N)[NH+]1CCC(C)(NC(=O)OC(C)(C)C)CC1 ZINC000781977697 681993650 /nfs/dbraw/zinc/99/36/50/681993650.db2.gz VTHXWCYYRGMMON-CQSZACIVSA-N 1 0 352.479 2.126 20 30 FEEDRO C=C(Cl)C(C)(C)C(=O)N1C[C@@H](C)[C@H](NC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC000940287794 682046139 /nfs/dbraw/zinc/04/61/39/682046139.db2.gz NFOXYDRDACXPPF-UMVBOHGHSA-N 1 0 355.910 2.213 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)NC1CC(C[NH2+]Cc2nnc(CC)s2)C1 ZINC000961853449 682102611 /nfs/dbraw/zinc/10/26/11/682102611.db2.gz OFPZUJFPSGVBCS-CVSAEHQPSA-N 1 0 364.515 2.066 20 30 FEEDRO N#Cc1ccc(C2(NS(=O)(=O)C[C@@]34CC[N@H+](C3)CCC4)CCC2)cc1 ZINC000916825667 685527980 /nfs/dbraw/zinc/52/79/80/685527980.db2.gz MMGCAAKXKWCWHZ-SFHVURJKSA-N 1 0 359.495 2.343 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)NC[C@H]2CCCN2CC(F)(F)F)CC1 ZINC000917098573 685529701 /nfs/dbraw/zinc/52/97/01/685529701.db2.gz ZLWFUSFQJSWRQZ-OAHLLOKOSA-N 1 0 362.440 2.353 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH+]1CCC2(COC(=O)N2)CC1 ZINC000784458665 682228468 /nfs/dbraw/zinc/22/84/68/682228468.db2.gz DIRJTJOMIMHQRF-CQSZACIVSA-N 1 0 363.483 2.226 20 30 FEEDRO C=CCN(Cc1ccc(OC)cc1)C(=S)NCCCN1CCOCC1 ZINC000917594449 685533217 /nfs/dbraw/zinc/53/32/17/685533217.db2.gz SMOKMLNAEGNKKT-UHFFFAOYSA-N 1 0 363.527 2.280 20 30 FEEDRO COC(=O)N(C)CC[N@H+](C)CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000852570485 682301331 /nfs/dbraw/zinc/30/13/31/682301331.db2.gz RPZMKNZNXUBYKS-UHFFFAOYSA-N 1 0 352.822 2.170 20 30 FEEDRO C=CCN1CC[C@H]([N@H+]2CC[C@@H](C)C[C@H]2CNC(=O)OC(C)(C)C)C1=O ZINC000852604665 682307616 /nfs/dbraw/zinc/30/76/16/682307616.db2.gz SPBQHEAIYBZZJM-PMPSAXMXSA-N 1 0 351.491 2.399 20 30 FEEDRO CCOc1c(Cl)cc(CNC(=O)C#CC2CC[NH2+]CC2)cc1OC ZINC000852816588 682346314 /nfs/dbraw/zinc/34/63/14/682346314.db2.gz ZSIPKZFCMQCANO-UHFFFAOYSA-N 1 0 350.846 2.367 20 30 FEEDRO O=C(C#CC1CC[NH2+]CC1)N1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000852887826 682353722 /nfs/dbraw/zinc/35/37/22/682353722.db2.gz CBLCZFZIJAZUTQ-UHFFFAOYSA-N 1 0 354.376 2.068 20 30 FEEDRO C#CC[N@H+]1CCC[C@@H]1COC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1C ZINC000786457359 682375777 /nfs/dbraw/zinc/37/57/77/682375777.db2.gz OHUNPFWBAHDWTN-BZUAXINKSA-N 1 0 350.459 2.273 20 30 FEEDRO C#C[C@H]([NH2+]C[C@H](O)COc1ccc(Br)cc1)C1CCOCC1 ZINC000853116530 682378028 /nfs/dbraw/zinc/37/80/28/682378028.db2.gz WXVIADJEZPKYHZ-RDJZCZTQSA-N 1 0 368.271 2.207 20 30 FEEDRO C#CCN(CC(=O)OC(C)(C)C)C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000853235796 682396203 /nfs/dbraw/zinc/39/62/03/682396203.db2.gz MRXJTCPKICGROO-UHFFFAOYSA-N 1 0 351.491 2.237 20 30 FEEDRO C=C(C)CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3OCC[C@H]3C(C)C)C2)C1 ZINC000972387733 682412572 /nfs/dbraw/zinc/41/25/72/682412572.db2.gz WPSDKWZEZOGJTA-BJLQDIEVSA-N 1 0 350.503 2.317 20 30 FEEDRO CC(=NOCC1CCC1)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000853439701 682413496 /nfs/dbraw/zinc/41/34/96/682413496.db2.gz LRUROHGLJCBDPS-UHFFFAOYSA-N 1 0 367.515 2.457 20 30 FEEDRO C[C@H]1CCC[N@@H+]1CCNS(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000788677197 682549692 /nfs/dbraw/zinc/54/96/92/682549692.db2.gz QUMCBUSATRRISQ-NSHDSACASA-N 1 0 372.288 2.083 20 30 FEEDRO COc1ccc2nc(C=NNC(=S)NCCC[NH+](C)C)sc2c1 ZINC000788715588 682553390 /nfs/dbraw/zinc/55/33/90/682553390.db2.gz MGZCYTPVKBUTGL-UHFFFAOYSA-N 1 0 351.501 2.055 20 30 FEEDRO Ic1cccc(C=NNC2=[NH+][C@H]3CCCC[C@@H]3N2)c1 ZINC000789034483 682575209 /nfs/dbraw/zinc/57/52/09/682575209.db2.gz PTINDNRLUMRFLA-STQMWFEESA-N 1 0 368.222 2.485 20 30 FEEDRO C#CCOc1ccc(Br)cc1C[NH2+]C[C@@H](CO)[C@@H]1CCOC1 ZINC000795581447 683069474 /nfs/dbraw/zinc/06/94/74/683069474.db2.gz FDNDXJIRURVYQL-HIFRSBDPSA-N 1 0 368.271 2.196 20 30 FEEDRO C=CCS(=O)(=O)CC[NH2+][C@H]1C[C@H]2CC[C@@H]([C@H]1C)N2C(=O)OC(C)(C)C ZINC000926127303 683079905 /nfs/dbraw/zinc/07/99/05/683079905.db2.gz WLBWAXIBPLOMIM-FZKCQIBNSA-N 1 0 372.531 2.353 20 30 FEEDRO CC#CCCCC(=O)NCC[NH+]1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000927844842 683323342 /nfs/dbraw/zinc/32/33/42/683323342.db2.gz IONUSOMKPRSMKA-UHFFFAOYSA-N 1 0 351.491 2.285 20 30 FEEDRO C=CCN1CC[C@H]([N@@H+]2CCC[C@H](CN(C)C(=O)OC(C)(C)C)C2)C1=O ZINC000799120030 683424583 /nfs/dbraw/zinc/42/45/83/683424583.db2.gz RZDVEGCROYFKPH-CVEARBPZSA-N 1 0 351.491 2.352 20 30 FEEDRO C=CCN1CC[C@H]([NH2+][C@H](C)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1=O ZINC000799165688 683431536 /nfs/dbraw/zinc/43/15/36/683431536.db2.gz KOOKMMHZSQGWRS-OAGGEKHMSA-N 1 0 351.491 2.399 20 30 FEEDRO O=C(NCC1CC[NH+](CCOCC(F)(F)C(F)F)CC1)C(F)(F)F ZINC000799174928 683433712 /nfs/dbraw/zinc/43/37/12/683433712.db2.gz UJZQAQMCTYTMPU-UHFFFAOYSA-N 1 0 368.293 2.294 20 30 FEEDRO Cc1cccc(C#N)c1S(=O)(=O)N[C@@H](CC[NH+](C)C)c1cccnc1 ZINC000921478420 683480741 /nfs/dbraw/zinc/48/07/41/683480741.db2.gz JMOWHCYNIBQZNM-KRWDZBQOSA-N 1 0 358.467 2.233 20 30 FEEDRO Cc1cc(S(=O)(=O)N[C@@H](CC[NH+](C)C)c2cccnc2)ccc1C#N ZINC000921480811 683481764 /nfs/dbraw/zinc/48/17/64/683481764.db2.gz STVQBDAXNAPDBP-SFHVURJKSA-N 1 0 358.467 2.233 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)CCN(C(=O)OC(C)(C)C)C(C)C)CC1 ZINC000928658697 683482769 /nfs/dbraw/zinc/48/27/69/683482769.db2.gz ZADREWIESFTJMB-UHFFFAOYSA-N 1 0 351.491 2.236 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)c2cc(OC)ccc2Br)CC1 ZINC000928660365 683483480 /nfs/dbraw/zinc/48/34/80/683483480.db2.gz AVSWMZVORUXFCB-UHFFFAOYSA-N 1 0 351.244 2.285 20 30 FEEDRO CCNC(=O)COc1ccc(C[NH2+]Cc2csc(C#N)c2)cc1OC ZINC000921538101 683495813 /nfs/dbraw/zinc/49/58/13/683495813.db2.gz GWAABTSHTCXCPT-UHFFFAOYSA-N 1 0 359.451 2.433 20 30 FEEDRO C#CCN(C(=O)N[C@@H]1CC[C@@H]2SCCS[C@@H]12)C1CC[NH+](C)CC1 ZINC000921701967 683548711 /nfs/dbraw/zinc/54/87/11/683548711.db2.gz VOUSIHWCUGKPAK-PMPSAXMXSA-N 1 0 353.557 2.105 20 30 FEEDRO C=CCN1CCC([NH2+][C@@H](C)[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)CC1 ZINC000862276552 683563222 /nfs/dbraw/zinc/56/32/22/683563222.db2.gz UCLKZWOFXHNNIJ-RDJZCZTQSA-N 1 0 353.507 2.251 20 30 FEEDRO N#Cc1ccccc1OC[C@@H](O)C[NH2+]C[C@@H](O)c1ccc(Cl)c(F)c1 ZINC000863561155 683742802 /nfs/dbraw/zinc/74/28/02/683742802.db2.gz CLMKVMBDQVIBLP-WMLDXEAASA-N 1 0 364.804 2.414 20 30 FEEDRO N#CC[C@@H](O)C[N@@H+]1CC[C@H](Cc2cccc(I)c2)C1 ZINC000930603122 683758631 /nfs/dbraw/zinc/75/86/31/683758631.db2.gz HSNMFCYEUJLRCS-UKRRQHHQSA-N 1 0 370.234 2.430 20 30 FEEDRO C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000865859275 684037395 /nfs/dbraw/zinc/03/73/95/684037395.db2.gz SYQGYNYASOCXNS-KGLIPLIRSA-N 1 0 359.898 2.432 20 30 FEEDRO CN(CC[NH+]1CC2(C1)CCOCC2)c1cc(Br)cnc1C#N ZINC000866257547 684086534 /nfs/dbraw/zinc/08/65/34/684086534.db2.gz JMNRCIYZXVWWBI-UHFFFAOYSA-N 1 0 365.275 2.264 20 30 FEEDRO N#Cc1sc(NC(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)nc1Cl ZINC000931724481 684337146 /nfs/dbraw/zinc/33/71/46/684337146.db2.gz HXANUVRTUZDOQR-JTQLQIEISA-N 1 0 355.851 2.043 20 30 FEEDRO CC(C)(C)OC(=O)N1CCO[C@]2(CC[N@H+](CCCSCC#N)C2)C1 ZINC000931852282 684357310 /nfs/dbraw/zinc/35/73/10/684357310.db2.gz OJCINNVFFKXUOC-KRWDZBQOSA-N 1 0 355.504 2.345 20 30 FEEDRO C=CC1(CC(=O)N(C)CC[NH+]2CCCC2)CN(C(=O)OC(C)(C)C)C1 ZINC000931898174 684366823 /nfs/dbraw/zinc/36/68/23/684366823.db2.gz ZZDSWERIONSTOO-UHFFFAOYSA-N 1 0 351.491 2.354 20 30 FEEDRO C=CCN1CC[C@H]([N@@H+]2C[C@@H](C)[C@H](CCNC(=O)OC(C)(C)C)C2)C1=O ZINC000931958295 684375153 /nfs/dbraw/zinc/37/51/53/684375153.db2.gz XJHICAUYHBHJCJ-OAGGEKHMSA-N 1 0 351.491 2.256 20 30 FEEDRO N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1CCN(c2cccs2)CC1 ZINC000867942508 684430123 /nfs/dbraw/zinc/43/01/23/684430123.db2.gz SOESFCBSAHRGAI-SFHVURJKSA-N 1 0 352.463 2.155 20 30 FEEDRO C#CC[N@H+](C)CCCN1C(=O)N[C@@H](c2ccc(C(F)(F)F)cc2)C1=O ZINC000925312113 684549087 /nfs/dbraw/zinc/54/90/87/684549087.db2.gz GMAPNZWWHZTNLM-AWEZNQCLSA-N 1 0 353.344 2.253 20 30 FEEDRO C#CC[N@H+](C)CCCN1C(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C1=O ZINC000925314924 684549318 /nfs/dbraw/zinc/54/93/18/684549318.db2.gz WGFQGORSJOFYGG-AWEZNQCLSA-N 1 0 353.344 2.253 20 30 FEEDRO C[NH+](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)OC[C@H]1CC[C@@H](C#N)CC1 ZINC000870361419 684710846 /nfs/dbraw/zinc/71/08/46/684710846.db2.gz QZQHQKWEAZYVSX-ZNMIVQPWSA-N 1 0 353.463 2.314 20 30 FEEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SC[C@@H](O)CC(C)(C)O ZINC000871968867 684898046 /nfs/dbraw/zinc/89/80/46/684898046.db2.gz MXIIANWOUJZJGS-HNNXBMFYSA-N 1 0 368.547 2.107 20 30 FEEDRO N#Cc1ccccc1OC[C@@H](O)C[NH2+]C[C@H](O)Cc1cccc(Cl)c1 ZINC000872248495 684932067 /nfs/dbraw/zinc/93/20/67/684932067.db2.gz WAEZGUBMURVKEV-MSOLQXFVSA-N 1 0 360.841 2.145 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)N[C@@H](c1cccc(C#N)c1)C(F)(F)F ZINC000875622170 686050668 /nfs/dbraw/zinc/05/06/68/686050668.db2.gz FDGUYKCPFHLPIW-HNNXBMFYSA-N 1 0 352.360 2.416 20 30 FEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)NCCC(=O)Nc1ccc(Br)cc1 ZINC000876607174 686227942 /nfs/dbraw/zinc/22/79/42/686227942.db2.gz QQOVAQHXBHAQPE-GFCCVEGCSA-N 1 0 374.666 2.364 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC(NC(=O)c2cc(C)oc2C)CC1 ZINC000876642879 686235618 /nfs/dbraw/zinc/23/56/18/686235618.db2.gz OKGQZQFQPDARHY-HNNXBMFYSA-N 1 0 353.850 2.087 20 30 FEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC[C@@H](C(=O)N(CC)CC(F)(F)F)C1 ZINC000876686320 686243920 /nfs/dbraw/zinc/24/39/20/686243920.db2.gz UXXIRZUIKBCOSI-VXGBXAGGSA-N 1 0 369.815 2.106 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H]1CCN(c2cc(OC)cc(OC)c2)C1 ZINC000876777465 686266419 /nfs/dbraw/zinc/26/64/19/686266419.db2.gz NFTZYPIGHBPOCB-DYVFJYSZSA-N 1 0 367.877 2.116 20 30 FEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC(Nc2cccc(C(=O)OC)c2)CC1 ZINC000876900905 686291082 /nfs/dbraw/zinc/29/10/82/686291082.db2.gz UDPXAKQIKWBCGX-MRXNPFEDSA-N 1 0 365.861 2.346 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1 ZINC000876902755 686291467 /nfs/dbraw/zinc/29/14/67/686291467.db2.gz GLLHKNSKBAYGOV-GUTXKFCHSA-N 1 0 356.253 2.198 20 30 FEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1ccc2nc(N3CCOCC3)oc2c1 ZINC000876939600 686297988 /nfs/dbraw/zinc/29/79/88/686297988.db2.gz IUPUHZJKEJFBII-GFCCVEGCSA-N 1 0 350.806 2.073 20 30 FEEDRO O=C(C#CC1CC[NH2+]CC1)N[C@@H]1[C@H]2Cc3c(cccc3Br)[C@@H]12 ZINC000877131729 686330316 /nfs/dbraw/zinc/33/03/16/686330316.db2.gz JFEYOBPGNUELFS-BMGDILEWSA-N 1 0 359.267 2.206 20 30 FEEDRO CN(C[C@@H](O)C[N@H+](C)Cc1ccc(C#N)c(F)c1)C(=O)OC(C)(C)C ZINC000879081202 686733156 /nfs/dbraw/zinc/73/31/56/686733156.db2.gz VNPIRQQKRZHGDA-HNNXBMFYSA-N 1 0 351.422 2.357 20 30 FEEDRO COCC[N@H+](CC(=O)Nc1sc(C)c(C)c1C#N)C1CCOCC1 ZINC000879710482 686893242 /nfs/dbraw/zinc/89/32/42/686893242.db2.gz ZRCWOMMMSMKXJX-UHFFFAOYSA-N 1 0 351.472 2.303 20 30 FEEDRO C[C@@H]1CN(CC(=O)NCc2ccc(C#N)cc2)CC[C@@H](C(F)(F)F)O1 ZINC000880061383 686991044 /nfs/dbraw/zinc/99/10/44/686991044.db2.gz UHCFXJIVLZKOBS-DOMZBBRYSA-N 1 0 355.360 2.216 20 30 FEEDRO C#CCC1(O)CC[NH+](CCOc2ccc(C(=O)OC)cc2Cl)CC1 ZINC000880480014 687052506 /nfs/dbraw/zinc/05/25/06/687052506.db2.gz GLRZJOPOIINMKB-UHFFFAOYSA-N 1 0 351.830 2.356 20 30 FEEDRO CCC1([NH+]2CCCCC2)CCN(S(=O)(=O)c2ccc(C#N)nc2)CC1 ZINC000882618257 687410527 /nfs/dbraw/zinc/41/05/27/687410527.db2.gz MOTMMGQBJSUEMM-UHFFFAOYSA-N 1 0 362.499 2.372 20 30 FEEDRO C[C@H]1CN(S(=O)(=O)c2cccc(CC#N)c2)CCN1c1cc[nH+]cc1 ZINC000882620499 687411984 /nfs/dbraw/zinc/41/19/84/687411984.db2.gz LIZZLGNPLOSPBQ-HNNXBMFYSA-N 1 0 356.451 2.047 20 30 FEEDRO C#CCC1(O)CCN(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)CC1 ZINC000883063879 687556086 /nfs/dbraw/zinc/55/60/86/687556086.db2.gz GRLVCNZJCOYWJK-INIZCTEOSA-N 1 0 361.511 2.445 20 30 FEEDRO CC[N@@H+]1CC[C@H](CNC(=O)Nc2ccc(Br)c(C#N)n2)C1 ZINC000883079969 687558532 /nfs/dbraw/zinc/55/85/32/687558532.db2.gz LQVKJUZEXOLMOP-SNVBAGLBSA-N 1 0 352.236 2.179 20 30 FEEDRO N#Cc1nc(NC(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)ccc1Br ZINC000883080004 687558686 /nfs/dbraw/zinc/55/86/86/687558686.db2.gz MWUWIUGBYVVAEY-WDEREUQCSA-N 1 0 364.247 2.464 20 30 FEEDRO C=C(C)C[C@@H](CO)[NH2+]Cc1cn(-c2ccccc2Br)nn1 ZINC000883400752 687622036 /nfs/dbraw/zinc/62/20/36/687622036.db2.gz UISDUISWZBLPNF-LBPRGKRZSA-N 1 0 351.248 2.447 20 30 FEEDRO N#C[C@H]1C[NH2+]CC12CC(C(=O)N[C@@H](c1nccs1)c1ccccc1)C2 ZINC000884110265 687791747 /nfs/dbraw/zinc/79/17/47/687791747.db2.gz DSBFRSXTWRLIDN-YJTLQXIOSA-N 1 0 352.463 2.488 20 30 FEEDRO N#C[C@@H]1C[NH2+]CC12CC(C(=O)Nc1nc(-c3ccc(F)cc3)ns1)C2 ZINC000884136194 687797998 /nfs/dbraw/zinc/79/79/98/687797998.db2.gz FPNUBHOYKMMTEZ-VMBJYNEYSA-N 1 0 357.414 2.422 20 30 FEEDRO N#C[C@H]1C[NH2+]CC12CC(C(=O)N[C@@H]1CCO[C@H]1c1ccc(Cl)cc1)C2 ZINC000884449249 687873242 /nfs/dbraw/zinc/87/32/42/687873242.db2.gz ZPHYXWFAODIZQE-SYPMSLAUSA-N 1 0 359.857 2.426 20 30 FEEDRO C#CCN(C(=O)COCc1nc2ccccc2s1)C1CC[NH+](C)CC1 ZINC000886587046 688280453 /nfs/dbraw/zinc/28/04/53/688280453.db2.gz DPDFWZHCYJUBOH-UHFFFAOYSA-N 1 0 357.479 2.369 20 30 FEEDRO COc1cccc([C@@H](CNC(=O)NCc2nc(C#N)cs2)[NH+](C)C)c1 ZINC000891539422 689075249 /nfs/dbraw/zinc/07/52/49/689075249.db2.gz UTMXUVBBUUJHOJ-OAHLLOKOSA-N 1 0 359.455 2.125 20 30 FEEDRO C[C@@H]1C[NH+](CCCNC(=O)N(C)Cc2cc(C#N)cs2)C[C@@H](C)O1 ZINC000891728695 689098569 /nfs/dbraw/zinc/09/85/69/689098569.db2.gz OCWHOPVIPJMXIA-ZIAGYGMSSA-N 1 0 350.488 2.260 20 30 FEEDRO C#C[C@@H](NC(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2)c1ccc(Cl)cc1 ZINC000892761210 689240136 /nfs/dbraw/zinc/24/01/36/689240136.db2.gz YAYWQMXGBSEZOT-IAGOWNOFSA-N 1 0 361.873 2.472 20 30 FEEDRO N#Cc1csc(CNC(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000894516368 689545968 /nfs/dbraw/zinc/54/59/68/689545968.db2.gz JDTHVTXFIOICHH-HNNXBMFYSA-N 1 0 355.467 2.336 20 30 FEEDRO C[C@]1(NC(=O)NCc2nc(C#N)cs2)CC[N@H+](Cc2ccccc2)C1 ZINC000897269402 689998001 /nfs/dbraw/zinc/99/80/01/689998001.db2.gz DTCHAVNHVWBDKW-SFHVURJKSA-N 1 0 355.467 2.479 20 30 FEEDRO CCOC(=O)C1([C@H](C)[NH2+][C@@H](C)CC2(C#N)CCOCC2)CCOCC1 ZINC000897740575 690073284 /nfs/dbraw/zinc/07/32/84/690073284.db2.gz BTTROORYUITXDL-HOTGVXAUSA-N 1 0 352.475 2.423 20 30 FEEDRO Cn1cc(NC(=S)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)cn1 ZINC000899536513 690373478 /nfs/dbraw/zinc/37/34/78/690373478.db2.gz KQDZNHHIPFUYDR-UHFFFAOYSA-N 1 0 354.483 2.243 20 30 FEEDRO O=C(NCC1([NH+]2CCSCC2)CCCC1)c1cccc(C#CCO)c1 ZINC000900192839 690482100 /nfs/dbraw/zinc/48/21/00/690482100.db2.gz XYAUJVZFCOMPCQ-UHFFFAOYSA-N 1 0 358.507 2.122 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)Nc1nc(CN2C[C@@H](C)O[C@@H](C)C2)cs1 ZINC000900326467 690502494 /nfs/dbraw/zinc/50/24/94/690502494.db2.gz FEOOLQASPGUOHT-OKILXGFUSA-N 1 0 352.504 2.199 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)NC[C@H](CO)Cc1ccc(C(F)(F)F)cc1 ZINC000901136674 690617182 /nfs/dbraw/zinc/61/71/82/690617182.db2.gz ZQQFXMGHLUDVHU-OAHLLOKOSA-N 1 0 358.404 2.481 20 30 FEEDRO CC(C)NS(=O)(=O)c1cccc(CN[C@@H](C)c2cc(C#N)ccn2)c1 ZINC000902759641 690805867 /nfs/dbraw/zinc/80/58/67/690805867.db2.gz BDOBJOCILCFSDU-AWEZNQCLSA-N 1 0 358.467 2.491 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2C[C@H](C[NH3+])Cc3cc(F)ccc32)s1 ZINC000903589847 690934008 /nfs/dbraw/zinc/93/40/08/690934008.db2.gz ZQVGHMRQXSBHMX-JTQLQIEISA-N 1 0 351.428 2.085 20 30 FEEDRO C[C@H]1Cc2cc(C[NH2+]CCS(=O)(=O)c3ccc(C#N)cc3)ccc2O1 ZINC000905563773 691141151 /nfs/dbraw/zinc/14/11/51/691141151.db2.gz GQIVGDOWPIHQSI-AWEZNQCLSA-N 1 0 356.447 2.445 20 30 FEEDRO CC(C)(C[NH3+])C1CCN(C(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)CC1 ZINC000906689863 691302585 /nfs/dbraw/zinc/30/25/85/691302585.db2.gz HCOFOXOJJXXXDY-UHFFFAOYSA-N 1 0 362.861 2.374 20 30 FEEDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(S(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000906951253 691352437 /nfs/dbraw/zinc/35/24/37/691352437.db2.gz ROINTWIILYBZEK-NVXWUHKLSA-N 1 0 362.499 2.228 20 30 FEEDRO C[N@@H+]1CC[C@H]2CN(S(=O)(=O)c3c(C#N)sc4ccccc43)CC[C@H]21 ZINC000907319492 691451444 /nfs/dbraw/zinc/45/14/44/691451444.db2.gz ZPRHJAPKZJIUAQ-GXTWGEPZSA-N 1 0 361.492 2.488 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)N1CCC[C@H]1c1nc(C(=O)OC)c(C)s1 ZINC000907873866 691575182 /nfs/dbraw/zinc/57/51/82/691575182.db2.gz CSMGIXXLYSDIRY-ZDUSSCGKSA-N 1 0 351.472 2.410 20 30 FEEDRO C=CCn1c(-c2cnsn2)nnc1N1CCC(CC)([NH+]2CCC2)CC1 ZINC000908721343 691718784 /nfs/dbraw/zinc/71/87/84/691718784.db2.gz LMOXWQYRKQPTKF-UHFFFAOYSA-N 1 0 359.503 2.437 20 30 FEEDRO Cc1ccc(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc1C#N ZINC001164819660 720315782 /nfs/dbraw/zinc/31/57/82/720315782.db2.gz FQNAVKDYMCPJQT-MOPGFXCFSA-N 1 0 367.497 2.173 20 30 FEEDRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2nc(-c3ccncc3)ccc2C#N)C1 ZINC001164735440 720523404 /nfs/dbraw/zinc/52/34/04/720523404.db2.gz XMGNUEKPXKNBLU-MRXNPFEDSA-N 1 0 373.464 2.410 20 30 FEEDRO Cc1nc(C#N)cnc1N1CC[C@@H]2[C@H](C[C@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164839294 720586387 /nfs/dbraw/zinc/58/63/87/720586387.db2.gz NDSMYJHYIGIUAS-BHIYHBOVSA-N 1 0 365.485 2.231 20 30 FEEDRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4nc(Cl)c(F)cc4C#N)C[C@H]3C2)cn1 ZINC001164771663 721074418 /nfs/dbraw/zinc/07/44/18/721074418.db2.gz SSDBGVLUXBXRFE-DZGCQCFKSA-N 1 0 374.851 2.438 20 30 FEEDRO Cc1nc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)ccc1C#N ZINC001164973143 722130027 /nfs/dbraw/zinc/13/00/27/722130027.db2.gz BARRXMNAXZPOGE-PMACEKPBSA-N 1 0 363.465 2.384 20 30 FEEDRO C=CCN(Cc1ccccc1)C(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000507226481 887155745 /nfs/dbraw/zinc/15/57/45/887155745.db2.gz WPKTUYIHDKBBBW-UHFFFAOYSA-N 1 0 361.405 2.421 20 30 FEEDRO N#CCCN(C(=O)CSc1nc(N)cc(N)[nH+]1)c1cccc(Cl)c1 ZINC000010991450 539523008 /nfs/dbraw/zinc/52/30/08/539523008.db2.gz KVNJDDAGECCLHP-UHFFFAOYSA-N 1 0 362.846 2.333 20 30 FEEDRO N#Cc1ccc(NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c([N+](=O)[O-])c1 ZINC000025499869 539761203 /nfs/dbraw/zinc/76/12/03/539761203.db2.gz HLHAWLQEHFRAOQ-QGZVFWFLSA-N 1 0 352.394 2.298 20 30 FEEDRO C[NH+]1CCC(N(Cc2ccco2)S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000029455387 539854248 /nfs/dbraw/zinc/85/42/48/539854248.db2.gz WLPHICPVVNAYFI-UHFFFAOYSA-N 1 0 359.451 2.436 20 30 FEEDRO C=CCOc1ccc(C(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)cc1OC ZINC000032269422 539933347 /nfs/dbraw/zinc/93/33/47/539933347.db2.gz KOAZGNYGUVFTEC-QGZVFWFLSA-N 1 0 362.470 2.347 20 30 FEEDRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)C(=O)Nc2cccc(C#N)c2)C1 ZINC000041791661 540033679 /nfs/dbraw/zinc/03/36/79/540033679.db2.gz GHUWEBVNWWLXSZ-HOTGVXAUSA-N 1 0 356.470 2.371 20 30 FEEDRO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCC(C(=O)Nc2cc(C)on2)CC1 ZINC000042642146 540071907 /nfs/dbraw/zinc/07/19/07/540071907.db2.gz WQYYBBCPCDLMLW-OAHLLOKOSA-N 1 0 360.458 2.223 20 30 FEEDRO N#Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)cc1 ZINC000048852046 540374885 /nfs/dbraw/zinc/37/48/85/540374885.db2.gz OYHRPHSVBAHMND-IBGZPJMESA-N 1 0 362.433 2.450 20 30 FEEDRO C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)[N@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000535545050 540482050 /nfs/dbraw/zinc/48/20/50/540482050.db2.gz CAASBYZJQGKMRY-HOSILWTGSA-N 1 0 360.506 2.057 20 30 FEEDRO CC(=O)Nc1cccc2c1CC[N@H+](C[C@H](O)COc1ccc(C#N)cc1)C2 ZINC000054391630 540587532 /nfs/dbraw/zinc/58/75/32/540587532.db2.gz TVWSLIKGGRPPQH-SFHVURJKSA-N 1 0 365.433 2.315 20 30 FEEDRO C[NH+]1CCC(NC(=S)C(C(=O)c2ccccc2)[n+]2cccc([O-])c2)CC1 ZINC000063441378 541168462 /nfs/dbraw/zinc/16/84/62/541168462.db2.gz GCQWUIPJIPIWEM-UHFFFAOYSA-O 1 0 370.498 2.302 20 30 FEEDRO Cc1noc(CCCC(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)n1 ZINC000065930521 541272551 /nfs/dbraw/zinc/27/25/51/541272551.db2.gz JNQVHFPRRRNDIV-UHFFFAOYSA-N 1 0 355.442 2.163 20 30 FEEDRO CC(C)C[N@H+](C)CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000065961491 541274799 /nfs/dbraw/zinc/27/47/99/541274799.db2.gz NITXWVKWULIYNG-UHFFFAOYSA-N 1 0 371.441 2.043 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N2CCC(NC(=O)Nc3ccccc3)CC2)CC1 ZINC000066922191 541394586 /nfs/dbraw/zinc/39/45/86/541394586.db2.gz RJLINKLBFJRAKC-UHFFFAOYSA-N 1 0 368.481 2.144 20 30 FEEDRO C[C@@H](CNC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1)C[NH+]1CCCCC1 ZINC000068217835 541565266 /nfs/dbraw/zinc/56/52/66/541565266.db2.gz QLFNOBLNEHZRSI-ZDUSSCGKSA-N 1 0 362.861 2.388 20 30 FEEDRO C[NH+]1CCC(CNC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)CC1 ZINC000069441112 541686957 /nfs/dbraw/zinc/68/69/57/541686957.db2.gz NRSUSDCLUQNGRI-KRWDZBQOSA-N 1 0 373.476 2.307 20 30 FEEDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](Oc1ccccc1C#N)C(C)C ZINC000069500703 541691196 /nfs/dbraw/zinc/69/11/96/541691196.db2.gz FAKDNDXNOUSMDV-MJGOQNOKSA-N 1 0 359.470 2.189 20 30 FEEDRO C[C@@H](CC[NH+](C)C)NC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000069425922 541685831 /nfs/dbraw/zinc/68/58/31/541685831.db2.gz SPEQQHNTJPBHLP-HOCLYGCPSA-N 1 0 361.465 2.306 20 30 FEEDRO CCN(CC)C(=O)C1CC[NH+](C[C@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000069682152 541703295 /nfs/dbraw/zinc/70/32/95/541703295.db2.gz XOKZJTZVDHWNJK-IBGZPJMESA-N 1 0 373.497 2.073 20 30 FEEDRO N#Cc1ccc(C[NH2+]CC2CCN(S(=O)(=O)C(F)(F)F)CC2)cc1 ZINC000069875855 541721967 /nfs/dbraw/zinc/72/19/67/541721967.db2.gz YPDZXWXLRGHLRA-UHFFFAOYSA-N 1 0 361.389 2.209 20 30 FEEDRO CC(C)[C@](C)(C#N)NC(=O)CNc1ccccc1C[NH+]1CCC(CO)CC1 ZINC000072079577 541783332 /nfs/dbraw/zinc/78/33/32/541783332.db2.gz XPDMGEGZQCLUGR-NRFANRHFSA-N 1 0 372.513 2.357 20 30 FEEDRO N#CCSCCC[N@H+]1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000072513499 541824794 /nfs/dbraw/zinc/82/47/94/541824794.db2.gz KDWYXMXBEXBBBJ-UHFFFAOYSA-N 1 0 371.503 2.169 20 30 FEEDRO CCC[C@H]1[C@@H](C)CCC[N@@H+]1CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 ZINC000072776503 541864052 /nfs/dbraw/zinc/86/40/52/541864052.db2.gz AUBNHCIYIRECTM-YJBOKZPZSA-N 1 0 373.501 2.404 20 30 FEEDRO C=C(C)CN1CCC([NH2+][C@@H]2CCCc3cc(S(N)(=O)=O)ccc32)CC1 ZINC000551029471 674121038 /nfs/dbraw/zinc/12/10/38/674121038.db2.gz FSNFYWQOULKNKG-LJQANCHMSA-N 1 0 363.527 2.342 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)CN1CCOc2ccc(Cl)cc21 ZINC000073078916 541916449 /nfs/dbraw/zinc/91/64/49/541916449.db2.gz OZVNCUWZFWEDEM-UHFFFAOYSA-N 1 0 364.877 2.233 20 30 FEEDRO CC[NH+](CC)CCOC1CCN(C(=O)COc2ccc(C#N)cc2)CC1 ZINC000073246474 541933917 /nfs/dbraw/zinc/93/39/17/541933917.db2.gz HKVAGNSXGAYYMD-UHFFFAOYSA-N 1 0 359.470 2.286 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)NCCc2csc(N3CCCC3)n2)CC1 ZINC000074132361 542040950 /nfs/dbraw/zinc/04/09/50/542040950.db2.gz QHBOPEYBYDJGIX-UHFFFAOYSA-N 1 0 363.531 2.235 20 30 FEEDRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000074134109 542041353 /nfs/dbraw/zinc/04/13/53/542041353.db2.gz WEPWFWVIWMLFHZ-HOJAQTOUSA-N 1 0 369.513 2.104 20 30 FEEDRO C[N@H+](CCC(=O)Nc1ccccc1C#N)C[C@@H](O)COCc1ccccc1 ZINC000074289092 542064373 /nfs/dbraw/zinc/06/43/73/542064373.db2.gz STKVJCRBAXPWES-LJQANCHMSA-N 1 0 367.449 2.396 20 30 FEEDRO C=CCN1CC[C@H]([NH2+][C@H]2CCN(C(=O)OC(C)(C)C)CC2(C)C)C1=O ZINC000801586188 674138231 /nfs/dbraw/zinc/13/82/31/674138231.db2.gz UYQIXYIKZPDIMP-GJZGRUSLSA-N 1 0 351.491 2.399 20 30 FEEDRO N#CC1(C(=O)N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)CCCCC1 ZINC000076484648 542283953 /nfs/dbraw/zinc/28/39/53/542283953.db2.gz HBIQBDUOMACWNR-UHFFFAOYSA-N 1 0 374.529 2.301 20 30 FEEDRO C=CCCC[N@@H+](C)[C@H](C)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000076734832 542318765 /nfs/dbraw/zinc/31/87/65/542318765.db2.gz HJXWGDUPABNMJP-CQSZACIVSA-N 1 0 353.488 2.162 20 30 FEEDRO C#CCNC(=O)c1ccc(N2CC[NH+](Cc3ccc(CC)s3)CC2)nc1 ZINC000077985903 542435672 /nfs/dbraw/zinc/43/56/72/542435672.db2.gz OIJXHNDGFQLGMN-UHFFFAOYSA-N 1 0 368.506 2.391 20 30 FEEDRO C[NH+](C)C1(CNC(=O)N2CCN(c3ncccc3C#N)CC2)CCCCC1 ZINC000078316647 542454557 /nfs/dbraw/zinc/45/45/57/542454557.db2.gz GAJXATKKKADZFD-UHFFFAOYSA-N 1 0 370.501 2.049 20 30 FEEDRO C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+]CC1(N2CCOCC2)CCCCC1 ZINC000078624503 542472728 /nfs/dbraw/zinc/47/27/28/542472728.db2.gz VEUBTNXZKICIAU-GOSISDBHSA-N 1 0 351.535 2.424 20 30 FEEDRO CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](CC(=O)N(CC)C[C@@H](C)C#N)C1 ZINC000064995592 221163268 /nfs/dbraw/zinc/16/32/68/221163268.db2.gz LNCQPIDYUXWXJN-GVDBMIGSSA-N 1 0 350.507 2.011 20 30 FEEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H]1CCN(CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000801959044 674157023 /nfs/dbraw/zinc/15/70/23/674157023.db2.gz FXKHXBFSPFAGRR-AFAVFJNCSA-N 1 0 351.853 2.342 20 30 FEEDRO C#CCNC(=O)c1ccc(N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)nc1 ZINC000079543693 542525986 /nfs/dbraw/zinc/52/59/86/542525986.db2.gz YXKVALUQPUIGDL-UHFFFAOYSA-N 1 0 366.440 2.296 20 30 FEEDRO C=CCNC(=O)NCc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1 ZINC000080565940 542595233 /nfs/dbraw/zinc/59/52/33/542595233.db2.gz OGKBTZKMKURDJZ-UHFFFAOYSA-N 1 0 356.392 2.442 20 30 FEEDRO N#CCOc1ccc(/C=C/C(=O)N2CC[NH+]([C@@H]3CCSC3)CC2)cc1 ZINC000080431634 542588511 /nfs/dbraw/zinc/58/85/11/542588511.db2.gz YHHNPTUUGZFRJC-ZNNBYXKUSA-N 1 0 357.479 2.252 20 30 FEEDRO CCO[C@@H](C)c1noc(CN2CCC[N@H+](CCCSCC#N)CC2)n1 ZINC000080629393 542597709 /nfs/dbraw/zinc/59/77/09/542597709.db2.gz KQKZDHRHHLKVNV-HNNXBMFYSA-N 1 0 367.519 2.322 20 30 FEEDRO N#Cc1ccc(CN2CCN(C(=O)[C@H]3C[C@@H]4CCCC[N@@H+]4C3)CC2)cc1 ZINC000081112039 542633310 /nfs/dbraw/zinc/63/33/10/542633310.db2.gz LHADWXJYUXRXHN-PMACEKPBSA-N 1 0 352.482 2.077 20 30 FEEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000081366535 542651173 /nfs/dbraw/zinc/65/11/73/542651173.db2.gz PNCSKAGKQCRMEK-GJZGRUSLSA-N 1 0 374.510 2.287 20 30 FEEDRO C[NH+](C)CCN1C[C@H](C(=O)N[C@@H](C#N)c2ccc(C(C)(C)C)cc2)CC1=O ZINC000081368465 542651318 /nfs/dbraw/zinc/65/13/18/542651318.db2.gz PVIWVJNFYGUHMJ-AEFFLSMTSA-N 1 0 370.497 2.075 20 30 FEEDRO CCN(C[C@@H]1CC[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C1)CC(F)(F)F ZINC000081558631 542664964 /nfs/dbraw/zinc/66/49/64/542664964.db2.gz MSZDXOQEAIBIFW-HOCLYGCPSA-N 1 0 362.440 2.247 20 30 FEEDRO CN(Cc1ccccc1)C(=O)CNC(=[NH2+])N[C@@H]1CCOc2ccccc21 ZINC000083031662 542690392 /nfs/dbraw/zinc/69/03/92/542690392.db2.gz VBRKIWRAVDLWNV-QGZVFWFLSA-N 1 0 352.438 2.073 20 30 FEEDRO CNC(=O)c1ccc(NC(=O)N(CCC#N)CCC[NH+](C)C)cc1Cl ZINC000086283606 542734641 /nfs/dbraw/zinc/73/46/41/542734641.db2.gz QMMBLNMXBPSKDU-UHFFFAOYSA-N 1 0 365.865 2.399 20 30 FEEDRO CN1c2ccc(NC(=O)N(CCC#N)CCC[NH+](C)C)cc2CCC1=O ZINC000086292907 542735886 /nfs/dbraw/zinc/73/58/86/542735886.db2.gz YJADROGEPKQZDB-UHFFFAOYSA-N 1 0 357.458 2.295 20 30 FEEDRO C=CCCC[C@H](C)[NH+]1CCN(c2ccccc2S(=O)(=O)NC)CC1 ZINC000091554873 542812844 /nfs/dbraw/zinc/81/28/44/542812844.db2.gz KQFCDXPTLCHJIV-INIZCTEOSA-N 1 0 351.516 2.462 20 30 FEEDRO CC(C)[C@H](C#N)N1CCN(C(=O)C[NH2+]C2(c3ccccc3)CCC2)CC1 ZINC000091596675 542815067 /nfs/dbraw/zinc/81/50/67/542815067.db2.gz XVBRRHHRTKUYNB-IBGZPJMESA-N 1 0 354.498 2.348 20 30 FEEDRO CC1CC[NH+](CC(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)CC1 ZINC000092045959 542841580 /nfs/dbraw/zinc/84/15/80/542841580.db2.gz ASRADZCXBRRXGL-UHFFFAOYSA-N 1 0 356.470 2.491 20 30 FEEDRO C#CCCOc1ccc(C[NH+]2CCC(C(=O)NCCCOC)CC2)cc1 ZINC000092362027 542859836 /nfs/dbraw/zinc/85/98/36/542859836.db2.gz LKWPCPYGBQBOLR-UHFFFAOYSA-N 1 0 358.482 2.453 20 30 FEEDRO Cc1cccnc1[C@H]([NH2+]CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1)C(C)C ZINC000092643053 542876687 /nfs/dbraw/zinc/87/66/87/542876687.db2.gz GLEUGNYDQKPFCH-AZUAARDMSA-N 1 0 371.529 2.369 20 30 FEEDRO COc1cc(/C=C/C(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)ccc1OCC#N ZINC000247423267 549332799 /nfs/dbraw/zinc/33/27/99/549332799.db2.gz OCYIDDPWPNRGEI-FJVHFBRSSA-N 1 0 357.454 2.409 20 30 FEEDRO CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)C2(C#N)CCCC2)CC1 ZINC000101687063 543041483 /nfs/dbraw/zinc/04/14/83/543041483.db2.gz YIHUPUARZVOGIO-UHFFFAOYSA-N 1 0 362.518 2.157 20 30 FEEDRO C[NH+]=C(NCc1ccco1)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000103338051 543104392 /nfs/dbraw/zinc/10/43/92/543104392.db2.gz KGTNWTGZWFNMRD-UHFFFAOYSA-N 1 0 360.433 2.245 20 30 FEEDRO C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000104060654 543121599 /nfs/dbraw/zinc/12/15/99/543121599.db2.gz RHXMEFYYTDITEG-LSDHHAIUSA-N 1 0 362.449 2.350 20 30 FEEDRO N#C[C@@H]1CN(C(=O)[C@@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000106046122 543186942 /nfs/dbraw/zinc/18/69/42/543186942.db2.gz ZROTUOPRJMTAOB-NVXWUHKLSA-N 1 0 367.371 2.192 20 30 FEEDRO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+](C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000106077205 543190433 /nfs/dbraw/zinc/19/04/33/543190433.db2.gz YVIHEAMOHKSFJP-DLBZAZTESA-N 1 0 370.501 2.108 20 30 FEEDRO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N2CCO[C@H](C#N)C2)C1 ZINC000106330812 543223581 /nfs/dbraw/zinc/22/35/81/543223581.db2.gz CNHDIZUEJXLYGT-QFBILLFUSA-N 1 0 356.470 2.352 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccccc2OC(F)F)CC1 ZINC000106349400 543224821 /nfs/dbraw/zinc/22/48/21/543224821.db2.gz GTZJVKKYOVZMHV-UHFFFAOYSA-N 1 0 367.396 2.383 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC(C(=O)N3CCCC3)CC2)CC1 ZINC000106340948 543224839 /nfs/dbraw/zinc/22/48/39/543224839.db2.gz WKFJPBKAONYFNN-UHFFFAOYSA-N 1 0 362.518 2.071 20 30 FEEDRO COCC[N@H+](C)CC[C@@H](NC(=O)C1(C#N)CCOCC1)c1ccccc1 ZINC000109142591 543315606 /nfs/dbraw/zinc/31/56/06/543315606.db2.gz CNZDGKLPTSHJEH-GOSISDBHSA-N 1 0 359.470 2.133 20 30 FEEDRO C[C@H](CNS(=O)(=O)Cc1cccc(C#N)c1)[N@H+](C)Cc1ccccc1 ZINC000111348247 543398127 /nfs/dbraw/zinc/39/81/27/543398127.db2.gz UJTLMZGVOSNYDD-MRXNPFEDSA-N 1 0 357.479 2.498 20 30 FEEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@@H]1CCC[N@H+]1CCOC ZINC000111865100 543421788 /nfs/dbraw/zinc/42/17/88/543421788.db2.gz ZZJMWJAYEKBFDF-IBGZPJMESA-N 1 0 356.470 2.367 20 30 FEEDRO C=CCOc1ccccc1CNC(=O)N1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000111886272 543423573 /nfs/dbraw/zinc/42/35/73/543423573.db2.gz WORWKGDYRFGBDF-LJQANCHMSA-N 1 0 372.513 2.173 20 30 FEEDRO CN(C)[C@@H](C[NH2+]C[C@H](O)COc1ccc(CC#N)cc1)c1cccs1 ZINC000551947081 674175261 /nfs/dbraw/zinc/17/52/61/674175261.db2.gz AIWGUETXVIEVQH-WMZOPIPTSA-N 1 0 359.495 2.446 20 30 FEEDRO C#CCOc1ccc(C[NH2+][C@@H](C)c2cccc(S(=O)(=O)NC)c2)cc1 ZINC000113334531 543484393 /nfs/dbraw/zinc/48/43/93/543484393.db2.gz AMAFWRJIQGNAAG-HNNXBMFYSA-N 1 0 358.463 2.458 20 30 FEEDRO N#CCCn1cc(C[NH2+]C[C@@H]2CN(C3CC3)CCO2)c(-c2ccccc2)n1 ZINC000113338951 543484405 /nfs/dbraw/zinc/48/44/05/543484405.db2.gz OLHMHFIUWNMYGN-HXUWFJFHSA-N 1 0 365.481 2.417 20 30 FEEDRO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N1CC[C@H](C[NH+](C)C)C1 ZINC000114479562 543520070 /nfs/dbraw/zinc/52/00/70/543520070.db2.gz PTPZKVURBXKDDB-IAGOWNOFSA-N 1 0 358.486 2.214 20 30 FEEDRO Cc1ccc(C#N)cc1S(=O)(=O)NCc1ccccc1OCC[NH+](C)C ZINC000114738468 543534748 /nfs/dbraw/zinc/53/47/48/543534748.db2.gz NZTBXRUBGLTWNL-UHFFFAOYSA-N 1 0 373.478 2.286 20 30 FEEDRO COc1cc(/C=C/C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)ccc1OCC#N ZINC000247464235 549337574 /nfs/dbraw/zinc/33/75/74/549337574.db2.gz RCMMYBSEVCJSMJ-LKEBIXNSSA-N 1 0 355.438 2.306 20 30 FEEDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1S(=O)(=O)Cc1ccc(C#N)cc1F ZINC000552108951 674188228 /nfs/dbraw/zinc/18/82/28/674188228.db2.gz ODXZKIVNOLNEJF-XJKSGUPXSA-N 1 0 351.447 2.086 20 30 FEEDRO N#CCCN(CCC#N)C(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000116733952 543613719 /nfs/dbraw/zinc/61/37/19/543613719.db2.gz WREIYAZGIMZYSZ-UHFFFAOYSA-N 1 0 353.470 2.245 20 30 FEEDRO CCN(CC#N)CC(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000121011269 543688202 /nfs/dbraw/zinc/68/82/02/543688202.db2.gz GFYPBIAMRKJHQI-UHFFFAOYSA-N 1 0 350.466 2.329 20 30 FEEDRO C[NH+](C)CC(C)(C)CNC(=O)C(=O)Nc1ccccc1SCCC#N ZINC000118896898 543661847 /nfs/dbraw/zinc/66/18/47/543661847.db2.gz WMRLJHNRLSODRZ-UHFFFAOYSA-N 1 0 362.499 2.335 20 30 FEEDRO C[NH+]1CCN(c2cc(CNC(=O)c3ccc(C#N)c(Cl)c3)ccn2)CC1 ZINC000123084778 543741062 /nfs/dbraw/zinc/74/10/62/543741062.db2.gz SXEABDHKGDGVKC-UHFFFAOYSA-N 1 0 369.856 2.288 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1cc(Cl)ccc1F ZINC000122105437 543703608 /nfs/dbraw/zinc/70/36/08/543703608.db2.gz FRCPNWLVQSSRJW-UHFFFAOYSA-N 1 0 354.813 2.112 20 30 FEEDRO C[C@@H]1C[N@@H+](CCCCNC(=O)Cc2ccc(OCC#N)cc2)C[C@H](C)O1 ZINC000123661047 543775943 /nfs/dbraw/zinc/77/59/43/543775943.db2.gz QXSANXVRUZNKQF-CALCHBBNSA-N 1 0 359.470 2.137 20 30 FEEDRO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3CCCC[C@H]3CC(C)C)CC2)o1 ZINC000123649128 543775149 /nfs/dbraw/zinc/77/51/49/543775149.db2.gz JFMROCIWTGNSKB-KRWDZBQOSA-N 1 0 373.501 2.404 20 30 FEEDRO N#Cc1ccccc1N1CCCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC000123962500 543793237 /nfs/dbraw/zinc/79/32/37/543793237.db2.gz KWPJDZYAOPCPGL-FQEVSTJZSA-N 1 0 352.482 2.471 20 30 FEEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@H+](C)CC(=O)NC3CC3)sc2C1 ZINC000126612493 543946810 /nfs/dbraw/zinc/94/68/10/543946810.db2.gz YPOQBUMBCBQUKL-LBPRGKRZSA-N 1 0 374.510 2.284 20 30 FEEDRO C#CCOc1ccc([C@H](C)[NH2+]CCc2ccc(S(N)(=O)=O)cc2)cc1 ZINC000128017491 544028260 /nfs/dbraw/zinc/02/82/60/544028260.db2.gz DTIRICSJEXYNOP-HNNXBMFYSA-N 1 0 358.463 2.239 20 30 FEEDRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2cc(C#N)ccc2C(F)(F)F)CC1 ZINC000127460091 543994670 /nfs/dbraw/zinc/99/46/70/543994670.db2.gz CDJFCFWXWHRQKG-HNNXBMFYSA-N 1 0 366.387 2.320 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(Br)cc2)c1C#N ZINC000128134092 544035093 /nfs/dbraw/zinc/03/50/93/544035093.db2.gz WNJIBCVUWYSYNF-UHFFFAOYSA-N 1 0 362.231 2.448 20 30 FEEDRO C#CCCCCNC(=O)C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000128271716 544042380 /nfs/dbraw/zinc/04/23/80/544042380.db2.gz KWDSIQKZQOMIQX-UHFFFAOYSA-N 1 0 371.481 2.410 20 30 FEEDRO CC[C@H](CC#N)NC(=O)C(=O)Nc1ccccc1OCC[NH+](CC)CC ZINC000128316492 544045903 /nfs/dbraw/zinc/04/59/03/544045903.db2.gz CJQNNWNRIJIMCD-OAHLLOKOSA-N 1 0 360.458 2.154 20 30 FEEDRO N#CCCN(C(=O)C[NH2+][C@H]1CCCC[C@H]1C(N)=O)c1cccc(Cl)c1 ZINC000131167125 544179324 /nfs/dbraw/zinc/17/93/24/544179324.db2.gz MAXWHDSRQWULPR-CVEARBPZSA-N 1 0 362.861 2.220 20 30 FEEDRO CN(CCC#N)C(=O)CC[N@H+](C)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000131560212 544195442 /nfs/dbraw/zinc/19/54/42/544195442.db2.gz OWDFZCACMVDHMJ-MRXNPFEDSA-N 1 0 362.861 2.139 20 30 FEEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NCCC[NH+]1CCC(C)CC1 ZINC000105269613 222366510 /nfs/dbraw/zinc/36/65/10/222366510.db2.gz RHEAZYJDAATYPE-UHFFFAOYSA-N 1 0 358.486 2.034 20 30 FEEDRO COc1cc(C#N)ccc1OCC(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000132200687 544223021 /nfs/dbraw/zinc/22/30/21/544223021.db2.gz ZWGSSQIRTVMOMS-SFHVURJKSA-N 1 0 367.449 2.235 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cccc(-n2cccn2)n1 ZINC000134473453 544309705 /nfs/dbraw/zinc/30/97/05/544309705.db2.gz JAQGMHHRMZHZPP-UHFFFAOYSA-N 1 0 374.448 2.343 20 30 FEEDRO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccc(C#N)cc1F)C1CCCCC1 ZINC000135814624 544361893 /nfs/dbraw/zinc/36/18/93/544361893.db2.gz ABAIXKMPTUFQCM-KRWDZBQOSA-N 1 0 360.433 2.263 20 30 FEEDRO C=CCOc1cc(OC)ccc1C(=O)Nc1n[nH]c(CCC[NH2+]C)c1C#N ZINC000138495755 544396891 /nfs/dbraw/zinc/39/68/91/544396891.db2.gz COKVIHLAGGBSBM-UHFFFAOYSA-N 1 0 369.425 2.259 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N[C@H](C)c2nc(-c3ccc(F)cc3)no2)CC1 ZINC000140816046 544410223 /nfs/dbraw/zinc/41/02/23/544410223.db2.gz VWQWNEZKRHTKQP-CYBMUJFWSA-N 1 0 356.401 2.398 20 30 FEEDRO C=CCc1ccc(OC[C@H](O)CN2CCC[N@@H+](C3CC3)CC2)c(OC)c1 ZINC000145738723 544435983 /nfs/dbraw/zinc/43/59/83/544435983.db2.gz WCASJVXSFCOPMB-LJQANCHMSA-N 1 0 360.498 2.334 20 30 FEEDRO N#Cc1cc(S(=O)(=O)N2CCC[C@@H]2C[NH+]2CCCC2)ccc1Cl ZINC000146232155 544438722 /nfs/dbraw/zinc/43/87/22/544438722.db2.gz HUDMGCNJAAKMOT-CQSZACIVSA-N 1 0 353.875 2.461 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N[C@@H](Cc2ccccc2)C(=O)OC(C)(C)C)CC1 ZINC000150898530 544483997 /nfs/dbraw/zinc/48/39/97/544483997.db2.gz AIICSGJFZAHOSB-IBGZPJMESA-N 1 0 370.493 2.401 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CCO[C@]3(CCSC3)C2)CC1 ZINC000150929190 544487588 /nfs/dbraw/zinc/48/75/88/544487588.db2.gz VLSIBPCAMXRJJF-FUHWJXTLSA-N 1 0 353.532 2.381 20 30 FEEDRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2ccc(C#N)c(C(F)(F)F)c2)CC1 ZINC000151619930 544562970 /nfs/dbraw/zinc/56/29/70/544562970.db2.gz GDLMILWLRRQKPE-INIZCTEOSA-N 1 0 366.387 2.320 20 30 FEEDRO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000247523276 549349991 /nfs/dbraw/zinc/34/99/91/549349991.db2.gz NPQCOVYGDQVUSR-SFTDATJTSA-N 1 0 374.525 2.342 20 30 FEEDRO Cc1cc(-c2nnc(C[N@H+](C)CCCc3[nH]nc(N)c3C#N)o2)c(C)o1 ZINC000153302366 544758605 /nfs/dbraw/zinc/75/86/05/544758605.db2.gz KAOORGDXPUPOML-UHFFFAOYSA-N 1 0 355.402 2.188 20 30 FEEDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)Nc1cccc(C#N)c1 ZINC000153176381 544742674 /nfs/dbraw/zinc/74/26/74/544742674.db2.gz CZGFQAHPRNWXCP-KXBFYZLASA-N 1 0 362.433 2.133 20 30 FEEDRO N#CCc1ccc(OC[C@@H](O)C[NH+]2CCN(c3cccc(O)c3)CC2)cc1 ZINC000153777137 544821759 /nfs/dbraw/zinc/82/17/59/544821759.db2.gz TWQBMDRLNGEXOK-FQEVSTJZSA-N 1 0 367.449 2.020 20 30 FEEDRO C[C@H](CNS(=O)(=O)c1cc(Br)cc(C#N)c1)[N@H+](C)C1CC1 ZINC000155185717 544998818 /nfs/dbraw/zinc/99/88/18/544998818.db2.gz XGVJCPQNHNCFMQ-SNVBAGLBSA-N 1 0 372.288 2.082 20 30 FEEDRO Cn1cc(C[NH2+]CCN2CCOC(C)(C)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180172198 327674635 /nfs/dbraw/zinc/67/46/35/327674635.db2.gz NVVYBHSIADEUQT-UHFFFAOYSA-N 1 0 353.470 2.159 20 30 FEEDRO CCOc1ccc(C#N)cc1NC(=O)C(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000182151096 327763142 /nfs/dbraw/zinc/76/31/42/327763142.db2.gz MGBCBNATVIQHBK-HNNXBMFYSA-N 1 0 372.469 2.276 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc(=O)[nH]c(C2CC2)c1 ZINC000184092019 327850771 /nfs/dbraw/zinc/85/07/71/327850771.db2.gz SDYRJCJBECANIK-UHFFFAOYSA-N 1 0 364.449 2.328 20 30 FEEDRO C[N@H+](CCCc1[nH]nc(N)c1C#N)Cc1ccc(Br)cc1C#N ZINC000553888738 674292306 /nfs/dbraw/zinc/29/23/06/674292306.db2.gz DPZTVPFNMSOLJW-UHFFFAOYSA-N 1 0 373.258 2.562 20 30 FEEDRO N#Cc1ccccc1Cn1cccc1C[NH2+]C[C@@H]1COC2(CCOCC2)O1 ZINC000188231882 328074721 /nfs/dbraw/zinc/07/47/21/328074721.db2.gz YYKLTKWJWLLQKO-HXUWFJFHSA-N 1 0 367.449 2.420 20 30 FEEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)N[C@@H]3CCC[C@@H]3CCO)CC2)cc1 ZINC000188375274 328083272 /nfs/dbraw/zinc/08/32/72/328083272.db2.gz OAQMYAZDCAOOBD-WOJBJXKFSA-N 1 0 370.497 2.327 20 30 FEEDRO Cc1nc(C#N)c(N2CCC(C(=O)N[C@@H](C)C[NH+]3CCCCC3)CC2)o1 ZINC000189064018 328126485 /nfs/dbraw/zinc/12/64/85/328126485.db2.gz WLYNZFALWQEXBZ-AWEZNQCLSA-N 1 0 359.474 2.062 20 30 FEEDRO CCN(CCC[NH+](C)C)C(=O)C(=O)Nc1ccc(OC(C)C)c(C#N)c1 ZINC000189813695 328169475 /nfs/dbraw/zinc/16/94/75/328169475.db2.gz QVFUMXYACKKYNW-UHFFFAOYSA-N 1 0 360.458 2.084 20 30 FEEDRO CC(C)NS(=O)(=O)Cc1ccc(C[NH2+]Cc2cc(C#N)n(C)c2)cc1 ZINC000190871378 328237250 /nfs/dbraw/zinc/23/72/50/328237250.db2.gz HNGYGLWMERZTEI-UHFFFAOYSA-N 1 0 360.483 2.014 20 30 FEEDRO C[C@H](NC(=O)C(=O)Nc1cccc(C#N)c1)[C@@H](c1ccccc1)[NH+](C)C ZINC000191248486 328256176 /nfs/dbraw/zinc/25/61/76/328256176.db2.gz IULGTXIBZVZMII-KSSFIOAISA-N 1 0 350.422 2.304 20 30 FEEDRO N#Cc1ccc(Br)c(C[NH2+][C@@H](CC(N)=O)C2CCOCC2)c1 ZINC000191825129 328283808 /nfs/dbraw/zinc/28/38/08/328283808.db2.gz PFUFDVRBBMELRM-HNNXBMFYSA-N 1 0 366.259 2.081 20 30 FEEDRO CC[NH+]1CCC(CCNC(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)CC1 ZINC000193033673 328353160 /nfs/dbraw/zinc/35/31/60/328353160.db2.gz IMZFLSHNVUYILX-UHFFFAOYSA-N 1 0 373.501 2.291 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1cccc(F)c1 ZINC000193572558 328382480 /nfs/dbraw/zinc/38/24/80/328382480.db2.gz LQBUDMAYLBQZIG-UHFFFAOYSA-N 1 0 368.412 2.226 20 30 FEEDRO CN(C)c1ccc(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)cn1 ZINC000195142105 328458031 /nfs/dbraw/zinc/45/80/31/328458031.db2.gz UGSOXFVQHAFSOJ-UHFFFAOYSA-N 1 0 351.454 2.223 20 30 FEEDRO CN(C)c1ccnc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1 ZINC000195220383 328462844 /nfs/dbraw/zinc/46/28/44/328462844.db2.gz IALZFHSHIPIJER-UHFFFAOYSA-N 1 0 351.454 2.223 20 30 FEEDRO Cc1oc(NC(=O)[C@H](C)N2CCC(C[NH+]3CCOCC3)CC2)c(C#N)c1C ZINC000075937857 324910824 /nfs/dbraw/zinc/91/08/24/324910824.db2.gz DWDAEJXIJXFBNC-HNNXBMFYSA-N 1 0 374.485 2.139 20 30 FEEDRO Cc1nc(SCCC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)n[nH]1 ZINC000080999838 325152811 /nfs/dbraw/zinc/15/28/11/325152811.db2.gz QFYXSCDUJYLCTP-UHFFFAOYSA-N 1 0 372.498 2.057 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)CCN2CCC[C@H]2C[NH+]2CCCCC2)cc1 ZINC000081513130 325179710 /nfs/dbraw/zinc/17/97/10/325179710.db2.gz MODZOINTUGFDOE-SFHVURJKSA-N 1 0 361.511 2.282 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)CCc2nc(C3CCCC3)no2)c1C#N ZINC000089663611 325325938 /nfs/dbraw/zinc/32/59/38/325325938.db2.gz JZCUSKTZDDDZKD-UHFFFAOYSA-N 1 0 371.445 2.045 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H]2SCCc3ccccc32)c1C#N ZINC000089662412 325326111 /nfs/dbraw/zinc/32/61/11/325326111.db2.gz VDEYXQJAVWOQET-MRXNPFEDSA-N 1 0 355.467 2.402 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)CSCc2ccc(C#N)cc2)c1C#N ZINC000089661966 325326309 /nfs/dbraw/zinc/32/63/09/325326309.db2.gz MQYWLWWYAHIMAS-UHFFFAOYSA-N 1 0 368.466 2.177 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(OCC3CC3)cc2)c1C#N ZINC000089675873 325326832 /nfs/dbraw/zinc/32/68/32/325326832.db2.gz FQDBOBRPVFTMOU-UHFFFAOYSA-N 1 0 353.426 2.474 20 30 FEEDRO Cc1ccccc1CN(C)C(=O)[C@H](C)[N@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000089942634 325343976 /nfs/dbraw/zinc/34/39/76/325343976.db2.gz UOWATGBEDDEAJL-HNNXBMFYSA-N 1 0 368.485 2.084 20 30 FEEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000116129024 325994399 /nfs/dbraw/zinc/99/43/99/325994399.db2.gz WRZZBZROLGEJIP-KRWDZBQOSA-N 1 0 360.502 2.279 20 30 FEEDRO N#Cc1ccc(OCC[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000118866574 326109667 /nfs/dbraw/zinc/10/96/67/326109667.db2.gz ADMRUAZNKIHMGF-OAHLLOKOSA-N 1 0 353.382 2.427 20 30 FEEDRO CC(C)Oc1ccc(NC(=O)C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)cc1C#N ZINC000119168651 326133486 /nfs/dbraw/zinc/13/34/86/326133486.db2.gz RNBZTZMJXGYTGJ-RDJZCZTQSA-N 1 0 372.469 2.273 20 30 FEEDRO N#Cc1ccsc1NC(=O)CC[NH+]1CCC(N2CCCCC2=O)CC1 ZINC000120369200 326253181 /nfs/dbraw/zinc/25/31/81/326253181.db2.gz CQLWKRCMNIDBMO-UHFFFAOYSA-N 1 0 360.483 2.425 20 30 FEEDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNS(=O)(=O)Cc2cc(C#N)ccc2F)C1 ZINC000120748449 326284447 /nfs/dbraw/zinc/28/44/47/326284447.db2.gz FUCOWQPIIGKWPQ-GASCZTMLSA-N 1 0 367.490 2.485 20 30 FEEDRO C[NH+](C)CCN(CC1CCCCC1)C(=O)C(=O)Nc1cccc(C#N)c1 ZINC000121263594 326325748 /nfs/dbraw/zinc/32/57/48/326325748.db2.gz SDGHCTRBKILDNC-UHFFFAOYSA-N 1 0 356.470 2.467 20 30 FEEDRO C[C@H]([NH3+])[C@H]1CCCN(S(=O)(=O)c2cc(Br)cc(C#N)c2)C1 ZINC000124327251 326451918 /nfs/dbraw/zinc/45/19/18/326451918.db2.gz VAPSBUDVAWXNCT-JQWIXIFHSA-N 1 0 372.288 2.069 20 30 FEEDRO N#Cc1ccc(NC(=O)C(=O)NC2CC[NH+](C3CCCC3)CC2)c(F)c1 ZINC000136539325 326653318 /nfs/dbraw/zinc/65/33/18/326653318.db2.gz XFEXUXKORPFRKK-UHFFFAOYSA-N 1 0 358.417 2.159 20 30 FEEDRO N#Cc1ccc2ncc(CNC3CC[NH+]([C@@H]4CCCC[C@@H]4O)CC3)n2c1 ZINC000136598647 326653666 /nfs/dbraw/zinc/65/36/66/326653666.db2.gz RIHMODCAWMDXAM-MOPGFXCFSA-N 1 0 353.470 2.063 20 30 FEEDRO N#Cc1ccc(CNC(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)cc1 ZINC000137131670 326658215 /nfs/dbraw/zinc/65/82/15/326658215.db2.gz LATQZXGNYZXCAN-RTBURBONSA-N 1 0 356.470 2.125 20 30 FEEDRO C[NH+](C)CCCC1CCN(C(=O)C(=O)Nc2ccc(F)cc2C#N)CC1 ZINC000154574564 326763647 /nfs/dbraw/zinc/76/36/47/326763647.db2.gz MQJWXIAYQWETEC-UHFFFAOYSA-N 1 0 360.433 2.216 20 30 FEEDRO CC[C@H](CO)[NH+]1CCN(C(=O)Nc2ccc(OC(C)C)c(C#N)c2)CC1 ZINC000157773329 326874992 /nfs/dbraw/zinc/87/49/92/326874992.db2.gz KYRYGCTXBOJFMC-QGZVFWFLSA-N 1 0 360.458 2.266 20 30 FEEDRO CNC(=O)CC[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000170792047 327099619 /nfs/dbraw/zinc/09/96/19/327099619.db2.gz USDAWMKGFFPTQR-UHFFFAOYSA-N 1 0 362.499 2.285 20 30 FEEDRO CC[NH+](CC)CCCCNC(=O)c1ccc(-n2ncc(C#N)c2N)cc1 ZINC000171980365 327174062 /nfs/dbraw/zinc/17/40/62/327174062.db2.gz GSTIQCLVHFDJPU-UHFFFAOYSA-N 1 0 354.458 2.178 20 30 FEEDRO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000173831734 327287370 /nfs/dbraw/zinc/28/73/70/327287370.db2.gz XQYLXUVOCQYPMR-UONOGXRCSA-N 1 0 353.875 2.459 20 30 FEEDRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000173831044 327287534 /nfs/dbraw/zinc/28/75/34/327287534.db2.gz ORXJOHKHOOGZCY-ZIAGYGMSSA-N 1 0 353.875 2.459 20 30 FEEDRO COc1ccc(C[NH2+]CC[C@](O)(c2nccn2C)C(F)(F)F)cc1C#N ZINC000174298676 327318193 /nfs/dbraw/zinc/31/81/93/327318193.db2.gz YNSGHMHZROYZKD-INIZCTEOSA-N 1 0 368.359 2.230 20 30 FEEDRO N#Cc1cc(S(=O)(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])ccc1C(F)(F)F ZINC000262006955 328834672 /nfs/dbraw/zinc/83/46/72/328834672.db2.gz GWMOCRHFTASTQZ-QMTHXVAHSA-N 1 0 361.389 2.373 20 30 FEEDRO C[C@H]([NH3+])[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000262192516 328849867 /nfs/dbraw/zinc/84/98/67/328849867.db2.gz CJMRAKUHWREKQP-HZMBPMFUSA-N 1 0 361.389 2.467 20 30 FEEDRO C[C@@H](NC(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1)c1ccc(C#N)cc1 ZINC000264518203 329032068 /nfs/dbraw/zinc/03/20/68/329032068.db2.gz HDTRKXGLXZHIQM-YLJYHZDGSA-N 1 0 369.513 2.431 20 30 FEEDRO COc1ccc(C#N)cc1NC(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000266503944 329230657 /nfs/dbraw/zinc/23/06/57/329230657.db2.gz ZPVKEPAGNIJDJE-UHFFFAOYSA-N 1 0 359.474 2.057 20 30 FEEDRO CC(C)OC(=O)[C@@H](C)CNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000266747590 329255646 /nfs/dbraw/zinc/25/56/46/329255646.db2.gz DAAFQQKEJDAXBR-INIZCTEOSA-N 1 0 374.485 2.219 20 30 FEEDRO Cn1ccnc1N1CC[NH+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000266921418 329272862 /nfs/dbraw/zinc/27/28/62/329272862.db2.gz MAYVKTCJUGKZKM-UHFFFAOYSA-N 1 0 372.860 2.096 20 30 FEEDRO CO[C@H](C)c1noc(CN2CCC[N@H+](Cc3cccc(C#N)c3)CC2)n1 ZINC000267425840 329326066 /nfs/dbraw/zinc/32/60/66/329326066.db2.gz XMRDIGBTBKLPRI-OAHLLOKOSA-N 1 0 355.442 2.357 20 30 FEEDRO C[NH+](C)[C@@H]1CCN(c2ccc(NC(=O)COc3ccc(C#N)cc3)nc2)C1 ZINC000269438980 329520246 /nfs/dbraw/zinc/52/02/46/329520246.db2.gz QHTZDRLFUIQJGI-QGZVFWFLSA-N 1 0 365.437 2.111 20 30 FEEDRO CCc1nnc(C)cc1C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000273753090 329889000 /nfs/dbraw/zinc/88/90/00/329889000.db2.gz XGGBBXAQKWNNMS-UHFFFAOYSA-N 1 0 351.454 2.423 20 30 FEEDRO COC(=O)[C@H](c1cccc(C#N)c1)N1C[C@@H](SC)[C@H]([NH+]2CCCC2)C1 ZINC000274138865 329919348 /nfs/dbraw/zinc/91/93/48/329919348.db2.gz WYKSTPROQVHJTC-KURKYZTESA-N 1 0 359.495 2.284 20 30 FEEDRO CC(C)Oc1ccc(NC(=O)C(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)cc1C#N ZINC000276215886 330130092 /nfs/dbraw/zinc/13/00/92/330130092.db2.gz WQSAVSHVLCCALW-AWEZNQCLSA-N 1 0 370.453 2.051 20 30 FEEDRO C[NH+](C)C1(CNC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)CCOCC1 ZINC000367209557 330230505 /nfs/dbraw/zinc/23/05/05/330230505.db2.gz RPJPVLQSHDWOIN-UHFFFAOYSA-N 1 0 368.481 2.468 20 30 FEEDRO C#C[C@H](NC(=O)N[C@H]1CC[N@@H+](CCOC)C1)c1ccc(Cl)cc1F ZINC000805136221 674321881 /nfs/dbraw/zinc/32/18/81/674321881.db2.gz AWQYRMQCQOCMKJ-BBRMVZONSA-N 1 0 353.825 2.173 20 30 FEEDRO CCN(CCC#N)S(=O)(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000554534145 674322409 /nfs/dbraw/zinc/32/24/09/674322409.db2.gz MTXNJRDSPASDBE-OAHLLOKOSA-N 1 0 358.895 2.013 20 30 FEEDRO C[C@@H]([NH2+][C@@H](C)C1CCN(CC(F)(F)F)CC1)C(=O)NC1(C#N)CCC1 ZINC000555510396 674364062 /nfs/dbraw/zinc/36/40/62/674364062.db2.gz QTKVPTIJOGKXFC-QWHCGFSZSA-N 1 0 360.424 2.190 20 30 FEEDRO CS(=O)(=O)NCC[C@@H]1CCCC[N@@H+]1CCCOc1cccc(C#N)c1 ZINC000155620191 545549848 /nfs/dbraw/zinc/54/98/48/545549848.db2.gz BQJWXHISAQPIKI-KRWDZBQOSA-N 1 0 365.499 2.121 20 30 FEEDRO C#CC[N@@H+](CC(=O)N1CCC(C(=O)N2CCC[C@H](C)C2)CC1)C1CCCC1 ZINC000155739115 545564113 /nfs/dbraw/zinc/56/41/13/545564113.db2.gz PHVCYVRENUSTQK-SFHVURJKSA-N 1 0 373.541 2.361 20 30 FEEDRO N#Cc1cc(F)ccc1NC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000155929061 545584816 /nfs/dbraw/zinc/58/48/16/545584816.db2.gz KGTIUXUXCYPVMX-FZKQIMNGSA-N 1 0 370.428 2.111 20 30 FEEDRO CC(=O)N1CC[C@@H](C[N@H+](C)CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000156743240 545655079 /nfs/dbraw/zinc/65/50/79/545655079.db2.gz KGQJXAWXPOHDNH-AWEZNQCLSA-N 1 0 362.861 2.340 20 30 FEEDRO CC(C)Oc1ccc(NC(=O)NCC2CC[NH+](CCO)CC2)cc1C#N ZINC000157910033 545798715 /nfs/dbraw/zinc/79/87/15/545798715.db2.gz IIMWDOGKLXWNKI-UHFFFAOYSA-N 1 0 360.458 2.171 20 30 FEEDRO C[C@@H]1CCC[C@](CNC(=O)C(=O)N(C)Cc2ccc(C#N)cc2)([NH+](C)C)C1 ZINC000477963363 561157120 /nfs/dbraw/zinc/15/71/20/561157120.db2.gz NJDLBANECIUVPG-IERDGZPVSA-N 1 0 370.497 2.143 20 30 FEEDRO N#Cc1ccccc1OCC(=O)N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000158334877 545850178 /nfs/dbraw/zinc/85/01/78/545850178.db2.gz IMNANKJPNGFRBP-GOSISDBHSA-N 1 0 357.454 2.040 20 30 FEEDRO C=CCN1C(=O)c2ccc(C(=O)NC[C@H](C)[N@@H+]3CCC[C@H](C)C3)cc2C1=O ZINC000478528568 561168892 /nfs/dbraw/zinc/16/88/92/561168892.db2.gz JXIAHUZXQVKZCO-GJZGRUSLSA-N 1 0 369.465 2.319 20 30 FEEDRO N#Cc1cccc(/C=C/C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)c1 ZINC000160157621 546012591 /nfs/dbraw/zinc/01/25/91/546012591.db2.gz BTEKDVRFISKVSE-GUKSKWGUSA-N 1 0 353.466 2.456 20 30 FEEDRO CC(C)Oc1ccc(NC(=O)C(=O)N[C@H](C)C[NH+]2CCCCC2)cc1C#N ZINC000160187372 546015777 /nfs/dbraw/zinc/01/57/77/546015777.db2.gz UQCMJRZCRCZOTJ-OAHLLOKOSA-N 1 0 372.469 2.275 20 30 FEEDRO COc1ccc(-c2cc(C(=O)N(CCC#N)CCC[NH+](C)C)[nH]n2)cc1 ZINC000164954987 546151851 /nfs/dbraw/zinc/15/18/51/546151851.db2.gz SZGVVJPCMATRLN-UHFFFAOYSA-N 1 0 355.442 2.393 20 30 FEEDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)CC1(C#N)CC1 ZINC000165785857 546153444 /nfs/dbraw/zinc/15/34/44/546153444.db2.gz FLRCPENCNDSXAZ-GOSISDBHSA-N 1 0 361.511 2.464 20 30 FEEDRO COc1ccc(CNC(=[NH2+])NCCc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000170909891 546181585 /nfs/dbraw/zinc/18/15/85/546181585.db2.gz ONHUPVHSDVARTP-UHFFFAOYSA-N 1 0 358.398 2.259 20 30 FEEDRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)CNC(=O)c2ccc(C#N)cc2)C1 ZINC000171115313 546191935 /nfs/dbraw/zinc/19/19/35/546191935.db2.gz RDPQPALQVYCEKY-HZPDHXFCSA-N 1 0 370.497 2.161 20 30 FEEDRO C[NH+]=C(NCCS(=O)(=O)c1ccc(Cl)cc1)NCc1ccco1 ZINC000171410808 546208091 /nfs/dbraw/zinc/20/80/91/546208091.db2.gz IZUCGEFRZVGGNP-UHFFFAOYSA-N 1 0 355.847 2.072 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)[C@H]2CCCN2C(=O)Nc2ccccc2)CC1 ZINC000171720195 546221024 /nfs/dbraw/zinc/22/10/24/546221024.db2.gz YMMNQLWEGFQTTL-GOSISDBHSA-N 1 0 356.470 2.450 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N2CCC(C(=O)N[C@@H](C)C(C)C)CC2)CC1 ZINC000171739269 546222719 /nfs/dbraw/zinc/22/27/19/546222719.db2.gz CUKAZFJVKPVRFG-INIZCTEOSA-N 1 0 364.534 2.219 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N2C[C@@H](C(=O)NCCCC)CC[C@@H]2C)CC1 ZINC000171741974 546222733 /nfs/dbraw/zinc/22/27/33/546222733.db2.gz APVIWSJFTAGBLW-IRXDYDNUSA-N 1 0 364.534 2.363 20 30 FEEDRO C[NH+]1CCC2(CC1)C[C@H](NS(=O)(=O)CCCC#N)c1ccccc1O2 ZINC000171979898 546233156 /nfs/dbraw/zinc/23/31/56/546233156.db2.gz GRGFOPOZDHPMNF-INIZCTEOSA-N 1 0 363.483 2.198 20 30 FEEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000172291932 546244445 /nfs/dbraw/zinc/24/44/45/546244445.db2.gz MMJHWEHHWCTVLI-HUUCEWRRSA-N 1 0 374.510 2.287 20 30 FEEDRO C[C@H]([NH2+][C@H]1CCCN(c2ccn(C)n2)C1=O)c1ccc(OCC#N)cc1 ZINC000174045090 546289874 /nfs/dbraw/zinc/28/98/74/546289874.db2.gz OZTHLSUPRDFOCR-YOEHRIQHSA-N 1 0 353.426 2.169 20 30 FEEDRO COc1ccc(C(=O)NCCN2CC[NH+](CC(C)(C)CCC#N)CC2)cc1 ZINC000174414823 546295680 /nfs/dbraw/zinc/29/56/80/546295680.db2.gz UOZBCAPQVOCACC-UHFFFAOYSA-N 1 0 372.513 2.373 20 30 FEEDRO C[C@@H]1CCN(CC(=O)N[C@@](C)(C#N)C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000174430845 546296450 /nfs/dbraw/zinc/29/64/50/546296450.db2.gz YRCYEDCWTWCRNB-UTKZUKDTSA-N 1 0 354.498 2.391 20 30 FEEDRO Cn1ccc(N2CCC[C@@H]([NH2+]Cc3cccc(OCCCC#N)c3)C2=O)n1 ZINC000174588271 546300495 /nfs/dbraw/zinc/30/04/95/546300495.db2.gz IHYZVFGZJRDCMR-GOSISDBHSA-N 1 0 367.453 2.388 20 30 FEEDRO CO/N=C(/C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)c1ccco1 ZINC000174645522 546301905 /nfs/dbraw/zinc/30/19/05/546301905.db2.gz XAAKIUMJLKHFLZ-DYTRJAOYSA-N 1 0 354.410 2.092 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc3ccn(C)c3c2)CC1 ZINC000174843984 546304496 /nfs/dbraw/zinc/30/44/96/546304496.db2.gz FGKZRLBSLMANHV-UHFFFAOYSA-N 1 0 354.454 2.274 20 30 FEEDRO Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@@H](CC(N)=O)C2)cc1C ZINC000175205384 546306711 /nfs/dbraw/zinc/30/67/11/546306711.db2.gz JPLKSLIOHICQMF-KRWDZBQOSA-N 1 0 356.470 2.138 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@@]2(F)CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000175588288 546315862 /nfs/dbraw/zinc/31/58/62/546315862.db2.gz UWGZSXHHBXNGKH-LJQANCHMSA-N 1 0 369.481 2.492 20 30 FEEDRO CCC[N@H+](CC)CCNC(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 ZINC000175779635 546348678 /nfs/dbraw/zinc/34/86/78/546348678.db2.gz BQEVLFWJXKKUNB-LJQANCHMSA-N 1 0 357.502 2.138 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)Nc1ccnn1C(C)C)C(C)C ZINC000175846704 546361424 /nfs/dbraw/zinc/36/14/24/546361424.db2.gz WDCJDFPGKZLJJC-MRXNPFEDSA-N 1 0 361.490 2.217 20 30 FEEDRO C[C@@H](NC(=O)Cc1ccc(OCC#N)cc1)C1([NH+]2CCOCC2)CCCC1 ZINC000175925627 546372913 /nfs/dbraw/zinc/37/29/13/546372913.db2.gz BXGSYTRAFKNRKH-QGZVFWFLSA-N 1 0 371.481 2.281 20 30 FEEDRO CCOc1ccc(C#N)cc1NC(=O)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000175949490 546377913 /nfs/dbraw/zinc/37/79/13/546377913.db2.gz PLGCKZLJVUBEAP-UHFFFAOYSA-N 1 0 372.469 2.275 20 30 FEEDRO CN(Cc1cccc(C#N)c1)C(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C ZINC000176047956 546396999 /nfs/dbraw/zinc/39/69/99/546396999.db2.gz HTORGMUTTILFBS-UHFFFAOYSA-N 1 0 365.437 2.383 20 30 FEEDRO CCN(C[C@H]1CC[N@H+](CC(=O)N[C@@](C)(C#N)C2CC2)C1)CC(F)(F)F ZINC000176397792 546440410 /nfs/dbraw/zinc/44/04/10/546440410.db2.gz XFLBQNIYVHRDDS-CJNGLKHVSA-N 1 0 360.424 2.001 20 30 FEEDRO CCNC(=O)c1ccc(C)c(NC(=O)N(CCC#N)CCC[NH+](C)C)c1 ZINC000176550380 546460168 /nfs/dbraw/zinc/46/01/68/546460168.db2.gz ODBIUZPMTKAALP-UHFFFAOYSA-N 1 0 359.474 2.444 20 30 FEEDRO COC(=O)[C@@H](c1cccc(C#N)c1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000177177334 546562417 /nfs/dbraw/zinc/56/24/17/546562417.db2.gz MFVNKNKIAIEXLZ-HXUWFJFHSA-N 1 0 371.481 2.349 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@H]1COCCN1C1CCCC1)C(C)C ZINC000480948464 561220939 /nfs/dbraw/zinc/22/09/39/561220939.db2.gz AXNCVMDIWXXOPJ-VQTJNVASSA-N 1 0 363.546 2.445 20 30 FEEDRO CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCC(OC[C@H]2CCCCO2)CC1 ZINC000177591468 546649676 /nfs/dbraw/zinc/64/96/76/546649676.db2.gz MLUBFLONHPFBMN-FUHWJXTLSA-N 1 0 351.491 2.045 20 30 FEEDRO N#Cc1cccnc1N1CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000177622037 546655118 /nfs/dbraw/zinc/65/51/18/546655118.db2.gz LVFHZRRIBBQAFA-SFHVURJKSA-N 1 0 367.497 2.256 20 30 FEEDRO CCc1nnc(N2CCN(c3cc[nH+]cc3OC)CC2)c(C#N)c1CC ZINC000481045100 561223705 /nfs/dbraw/zinc/22/37/05/561223705.db2.gz WHCXVJXOJFNFFX-UHFFFAOYSA-N 1 0 352.442 2.203 20 30 FEEDRO Cc1c(C#N)cccc1NC(=O)C(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000178417487 546791337 /nfs/dbraw/zinc/79/13/37/546791337.db2.gz DVNPXCWUDOOVNC-GJZGRUSLSA-N 1 0 356.470 2.289 20 30 FEEDRO CN(C(=O)c1cc(C#N)cn1C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000178928901 546875009 /nfs/dbraw/zinc/87/50/09/546875009.db2.gz YQJQQWQXPIQEQS-RBUKOAKNSA-N 1 0 371.529 2.306 20 30 FEEDRO CC[C@H](CO)[NH+]1CCN(C(=O)CCCCOc2cccc(C#N)c2)CC1 ZINC000179416256 546950333 /nfs/dbraw/zinc/95/03/33/546950333.db2.gz JXYOHPSEKRPHHS-GOSISDBHSA-N 1 0 359.470 2.022 20 30 FEEDRO CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH2+]C(C)(C)c2cccc(F)c2)CC1 ZINC000179572800 546979393 /nfs/dbraw/zinc/97/93/93/546979393.db2.gz YJTLPHMQWULOAJ-GOSISDBHSA-N 1 0 360.477 2.343 20 30 FEEDRO Cc1nc2cc(C)ccn2c1CN1CCN(C(=O)c2c[nH]c(C#N)c2)CC1 ZINC000179969961 547034373 /nfs/dbraw/zinc/03/43/73/547034373.db2.gz OYPFGANASGPSBG-UHFFFAOYSA-N 1 0 362.437 2.109 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cccc(N(C)C)c2C)CC1 ZINC000180552831 547129005 /nfs/dbraw/zinc/12/90/05/547129005.db2.gz UHCKYQSQMGWBRR-UHFFFAOYSA-N 1 0 358.486 2.156 20 30 FEEDRO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000483173761 561269540 /nfs/dbraw/zinc/26/95/40/561269540.db2.gz IAQCMQILZCYMKK-NQIIRXRSSA-N 1 0 361.482 2.425 20 30 FEEDRO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@@H](C)c1cccc(N2CCCC2=O)c1 ZINC000181411697 547311045 /nfs/dbraw/zinc/31/10/45/547311045.db2.gz KBWQUXQYRGEADD-HOTGVXAUSA-N 1 0 356.470 2.472 20 30 FEEDRO C[C@@H]1OCC[C@@H]1[N@H+](CCO)CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000483315389 561273947 /nfs/dbraw/zinc/27/39/47/561273947.db2.gz OYDAWPSSFYRJCP-LRDDRELGSA-N 1 0 351.834 2.012 20 30 FEEDRO CCC(CC)[C@@H](CNC(=O)C(=O)Nc1ccccc1O[C@H](C)C#N)[NH+](C)C ZINC000181822524 547386874 /nfs/dbraw/zinc/38/68/74/547386874.db2.gz CFIDYLHPNSLOJQ-RHSMWYFYSA-N 1 0 374.485 2.399 20 30 FEEDRO CC[C@H]([NH2+]CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1)c1ccc(OC)cc1 ZINC000181822574 547387250 /nfs/dbraw/zinc/38/72/50/547387250.db2.gz CBUOORHVARGKOP-PMACEKPBSA-N 1 0 372.513 2.428 20 30 FEEDRO C=CC[C@@H](CO)NC(=O)NCC1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000183253034 547627765 /nfs/dbraw/zinc/62/77/65/547627765.db2.gz DSQVRLSKVMTQLQ-SFHVURJKSA-N 1 0 361.486 2.143 20 30 FEEDRO C=CC[C@@H](CO)NC(=O)NC[C@@H](c1ccccc1OC)[NH+]1CCCCC1 ZINC000183532026 547676489 /nfs/dbraw/zinc/67/64/89/547676489.db2.gz PYJVLWVALHGKQH-WMZOPIPTSA-N 1 0 361.486 2.458 20 30 FEEDRO CC(C)([C@@H]([NH2+]CC(=O)NCC#N)c1ccc(F)c(F)c1)N1CCCC1 ZINC000484531050 561299272 /nfs/dbraw/zinc/29/92/72/561299272.db2.gz GIOCIESPRSIZHG-KRWDZBQOSA-N 1 0 350.413 2.110 20 30 FEEDRO CO/N=C/c1ccc(C(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000183783559 547718651 /nfs/dbraw/zinc/71/86/51/547718651.db2.gz QTHKXLDENVRYEU-NVAXRVGSSA-N 1 0 367.449 2.164 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N2CCC(O)(Cc3cccc(F)c3)CC2)CC1 ZINC000184053407 547761040 /nfs/dbraw/zinc/76/10/40/547761040.db2.gz FFSHCXXBSGXGAJ-UHFFFAOYSA-N 1 0 358.457 2.067 20 30 FEEDRO C[NH+](C)[C@@H](CNC(=O)CN(CCC#N)Cc1ccccn1)c1ccccc1 ZINC000184978721 547911180 /nfs/dbraw/zinc/91/11/80/547911180.db2.gz KGTKGLUTGDEPMX-FQEVSTJZSA-N 1 0 365.481 2.216 20 30 FEEDRO C=CCOc1ccc(C(=O)N[C@H](C)CC[NH+]2CCN(C)CC2)cc1OC ZINC000185308054 547967313 /nfs/dbraw/zinc/96/73/13/547967313.db2.gz SYNXYJJHCOHBPY-MRXNPFEDSA-N 1 0 361.486 2.016 20 30 FEEDRO CCCC[NH+]1CCC(NS(=O)(=O)c2ccc(C#N)cc2OC)CC1 ZINC000185498565 547992911 /nfs/dbraw/zinc/99/29/11/547992911.db2.gz MXBBOFHAWAZXCA-UHFFFAOYSA-N 1 0 351.472 2.110 20 30 FEEDRO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+][C@H](C)C(=O)N(C)CCC#N ZINC000185645813 548015161 /nfs/dbraw/zinc/01/51/61/548015161.db2.gz BLYARCAGDAFYTH-CMPLNLGQSA-N 1 0 359.396 2.473 20 30 FEEDRO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+][C@@H](C)C(=O)N(C)CCC#N ZINC000185645779 548015165 /nfs/dbraw/zinc/01/51/65/548015165.db2.gz BLYARCAGDAFYTH-JQWIXIFHSA-N 1 0 359.396 2.473 20 30 FEEDRO CC#CCCCC(=O)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000185725294 548025528 /nfs/dbraw/zinc/02/55/28/548025528.db2.gz KUVWAHOWRJUXHQ-LJQANCHMSA-N 1 0 355.482 2.194 20 30 FEEDRO C[C@H]1CN(C(=O)C2(c3cccc(C#N)c3)CC2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000485699975 561326212 /nfs/dbraw/zinc/32/62/12/561326212.db2.gz XYQZTDLKYKOHQU-PXNSSMCTSA-N 1 0 366.509 2.074 20 30 FEEDRO CC(C)(CC(N)=O)[NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000186227120 548103844 /nfs/dbraw/zinc/10/38/44/548103844.db2.gz FSMBVFBRQNBMDT-UHFFFAOYSA-N 1 0 362.499 2.461 20 30 FEEDRO C#CCOc1ccccc1NC(=O)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000188092189 548271825 /nfs/dbraw/zinc/27/18/25/548271825.db2.gz XPMIZYRXEGFZNS-SFHVURJKSA-N 1 0 358.486 2.092 20 30 FEEDRO C=CCn1c(SCCN2CCO[C@@H](C)C2)nc2sccc2c1=O ZINC000188231277 548275580 /nfs/dbraw/zinc/27/55/80/548275580.db2.gz VRYGFENQCJXUNO-LBPRGKRZSA-N 1 0 351.497 2.457 20 30 FEEDRO C[NH+]1CCN(c2ccc(NC(=O)C3(c4ccc(C#N)cc4)CC3)nc2)CC1 ZINC000188374574 548277731 /nfs/dbraw/zinc/27/77/31/548277731.db2.gz AVHWGSUDRNNKBG-UHFFFAOYSA-N 1 0 361.449 2.375 20 30 FEEDRO CCN(CCC[NH+](C)C)C(=O)C(=O)Nc1ccccc1SCCC#N ZINC000189822319 548312385 /nfs/dbraw/zinc/31/23/85/548312385.db2.gz OPUXPSGFJOLZOO-UHFFFAOYSA-N 1 0 362.499 2.431 20 30 FEEDRO C=CCN(CCOC)C(=O)NCc1cccc(CN2CCO[C@@H](C)C2)c1 ZINC000191134404 548340447 /nfs/dbraw/zinc/34/04/47/548340447.db2.gz YUVBNMABHNRVCD-KRWDZBQOSA-N 1 0 361.486 2.251 20 30 FEEDRO N#C[C@@H]1CN(C(=O)C2CC[NH+](C3CC3)CC2)CCN1Cc1ccccc1 ZINC000192552826 548366254 /nfs/dbraw/zinc/36/62/54/548366254.db2.gz JVCGLWCZWQXHSV-HXUWFJFHSA-N 1 0 352.482 2.097 20 30 FEEDRO COC(=O)[C@H]1C[C@@H](O)CN1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000193124344 548380203 /nfs/dbraw/zinc/38/02/03/548380203.db2.gz WLDVYCWWSFDEBK-WOJBJXKFSA-N 1 0 364.445 2.495 20 30 FEEDRO Cc1nc(C#N)c(N2CCC(C(=O)NCCC[N@H+]3CCCC[C@@H]3C)CC2)o1 ZINC000195051366 548569442 /nfs/dbraw/zinc/56/94/42/548569442.db2.gz UAXWCKSWUSIKKR-HNNXBMFYSA-N 1 0 373.501 2.452 20 30 FEEDRO C=CC[N@@H+](CCc1ccccc1)C[C@@H](O)CN1C(=O)c2ccccc2C1=O ZINC000195195823 548594593 /nfs/dbraw/zinc/59/45/93/548594593.db2.gz QPBZBIOIULTXLB-GOSISDBHSA-N 1 0 364.445 2.374 20 30 FEEDRO COc1cc(CNC(=O)c2ccc(C#N)s2)ccc1OCC[NH+](C)C ZINC000487251191 561366792 /nfs/dbraw/zinc/36/67/92/561366792.db2.gz FUSWFAZVCFJTQS-UHFFFAOYSA-N 1 0 359.451 2.499 20 30 FEEDRO C=CCc1ccc(OC[C@@H](O)CN2CC[C@@H]([NH+]3CCCC3)C2)c(OC)c1 ZINC000245395628 548906403 /nfs/dbraw/zinc/90/64/03/548906403.db2.gz IGIAHZDBZMHZLJ-MOPGFXCFSA-N 1 0 360.498 2.334 20 30 FEEDRO C[C@@H]1C[N@@H+](C[C@H]2CCCN2Cc2cnc3ccc(C#N)cn23)C[C@H](C)O1 ZINC000245559322 548946190 /nfs/dbraw/zinc/94/61/90/548946190.db2.gz LVGUUKFHELNPRR-SOLBZPMBSA-N 1 0 353.470 2.280 20 30 FEEDRO Cc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000245656038 548968112 /nfs/dbraw/zinc/96/81/12/548968112.db2.gz OEQHVWNRIRRXIS-MJGOQNOKSA-N 1 0 362.433 2.367 20 30 FEEDRO C=CCCC[C@H](C)NC(=O)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000488209899 561386149 /nfs/dbraw/zinc/38/61/49/561386149.db2.gz OJFBSZBJYWGDQT-ZIFCJYIRSA-N 1 0 357.498 2.484 20 30 FEEDRO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CC[C@@H](Cc3ccccc3)C2)CC1 ZINC000245997810 549033828 /nfs/dbraw/zinc/03/38/28/549033828.db2.gz ISJMWIRWMQGQQA-SFTDATJTSA-N 1 0 368.525 2.243 20 30 FEEDRO CCSCC[C@H](C)[N@H+](C)CC(=O)N1CCN([C@H](C#N)C(C)C)CC1 ZINC000246082356 549047656 /nfs/dbraw/zinc/04/76/56/549047656.db2.gz MYCPPHBSHOYCAQ-DLBZAZTESA-N 1 0 354.564 2.142 20 30 FEEDRO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000246498411 549147327 /nfs/dbraw/zinc/14/73/27/549147327.db2.gz XQYLXUVOCQYPMR-KBPBESRZSA-N 1 0 353.875 2.459 20 30 FEEDRO C=CCc1ccccc1OC[C@H](O)CN1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC000488670192 561394234 /nfs/dbraw/zinc/39/42/34/561394234.db2.gz ACKNWRZPFFJRIM-GHTZIAJQSA-N 1 0 374.525 2.340 20 30 FEEDRO COc1cc(C)cnc1C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000489156368 561404554 /nfs/dbraw/zinc/40/45/54/561404554.db2.gz ISMAVBBEQNZHME-UHFFFAOYSA-N 1 0 352.438 2.474 20 30 FEEDRO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3C[C@H](C)[C@@H]4CCCC[C@@H]43)CC2)o1 ZINC000248449499 549439411 /nfs/dbraw/zinc/43/94/11/549439411.db2.gz XREVEUCDHSULFN-ZVZYQTTQSA-N 1 0 371.485 2.014 20 30 FEEDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2S(=O)(=O)c2cc(C#N)ccc2Cl)C1 ZINC000248505426 549451507 /nfs/dbraw/zinc/45/15/07/549451507.db2.gz WNVNJCFBSOWCFC-ZFWWWQNUSA-N 1 0 353.875 2.316 20 30 FEEDRO Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N3CC[N@H+](C)[C@H](C(C)C)C3)C2)n1 ZINC000489401793 561410049 /nfs/dbraw/zinc/41/00/49/561410049.db2.gz YCVXBIFRAUWVHX-OALUTQOASA-N 1 0 369.513 2.277 20 30 FEEDRO C=CC[C@H](CO)NC(=O)NCc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000248577666 549462610 /nfs/dbraw/zinc/46/26/10/549462610.db2.gz NUQYFJRDRXPPKW-GPMSIDNRSA-N 1 0 361.486 2.032 20 30 FEEDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NS(=O)(=O)c1ccc(F)cc1C#N ZINC000248705400 549486959 /nfs/dbraw/zinc/48/69/59/549486959.db2.gz ASBNRUURRZJCLL-KBXCAEBGSA-N 1 0 373.453 2.496 20 30 FEEDRO COC(=O)[C@H](C)C[N@H+](C1CC1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000248775117 549499882 /nfs/dbraw/zinc/49/98/82/549499882.db2.gz UGDHXXAOTAQKMF-KDOFPFPSSA-N 1 0 355.438 2.327 20 30 FEEDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)Nc1ccc(C#N)cc1 ZINC000248872787 549519090 /nfs/dbraw/zinc/51/90/90/549519090.db2.gz QTMPOJPIHSHRGV-DNVCBOLYSA-N 1 0 362.433 2.133 20 30 FEEDRO Cc1nc(C#N)c(N2CCC(C(=O)N[C@@H](C)C[N@@H+]3CCC[C@@H](C)C3)CC2)o1 ZINC000248959554 549532334 /nfs/dbraw/zinc/53/23/34/549532334.db2.gz PHMBWMQRTNROTR-CABCVRRESA-N 1 0 373.501 2.308 20 30 FEEDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NS(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000489589208 561414919 /nfs/dbraw/zinc/41/49/19/561414919.db2.gz UJDACQCFHXWURA-MGPQQGTHSA-N 1 0 353.463 2.342 20 30 FEEDRO CC(C)C[N@@H+]1CCC[C@H](CNS(=O)(=O)c2ccc(C#N)c(F)c2)C1 ZINC000489717170 561417716 /nfs/dbraw/zinc/41/77/16/561417716.db2.gz ISMFQERIWHYVPN-CQSZACIVSA-N 1 0 353.463 2.344 20 30 FEEDRO C=CCN1CC[C@H]([N@@H+]2CCC[C@H](c3nc(C(F)(F)F)cn3C)C2)C1=O ZINC000489932195 561422642 /nfs/dbraw/zinc/42/26/42/561422642.db2.gz IRBYAMDUUVVBGV-STQMWFEESA-N 1 0 356.392 2.405 20 30 FEEDRO CC[N@H+](CC(=O)N1CCC[C@@H](NC(C)=O)C1)[C@H](C)c1ccc(C#N)cc1 ZINC000253356100 549683940 /nfs/dbraw/zinc/68/39/40/549683940.db2.gz WLOSGZDXUOXYCA-DNVCBOLYSA-N 1 0 356.470 2.068 20 30 FEEDRO C[NH+]=C(NCc1cc(-c2ccccc2)no1)N1CCC[C@H](CC(N)=O)C1 ZINC000261652954 549738691 /nfs/dbraw/zinc/73/86/91/549738691.db2.gz ADJKLYCFCLKREC-CQSZACIVSA-N 1 0 355.442 2.004 20 30 FEEDRO C/[NH+]=C(/NCc1cn2ccsc2n1)N1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000261972142 549775579 /nfs/dbraw/zinc/77/55/79/549775579.db2.gz NBKDTRJFMAZPPP-HIFRSBDPSA-N 1 0 357.487 2.251 20 30 FEEDRO N#Cc1cc(S(=O)(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)ccc1C(F)(F)F ZINC000262094496 549788087 /nfs/dbraw/zinc/78/80/87/549788087.db2.gz SCCQOBWTDNWDFM-VZJVUDMVSA-N 1 0 373.400 2.325 20 30 FEEDRO CC(C)c1cccc(NC(=[NH2+])NC[C@@H]2CCC[C@H]2NS(C)(=O)=O)c1 ZINC000262349865 549812905 /nfs/dbraw/zinc/81/29/05/549812905.db2.gz DZQASTBMITWLGX-GOEBONIOSA-N 1 0 352.504 2.255 20 30 FEEDRO C[NH+]=C(NCc1ccc(F)cc1C(F)(F)F)NC[C@]1(O)CCSC1 ZINC000262369367 549814912 /nfs/dbraw/zinc/81/49/12/549814912.db2.gz IHGCALMGKXDBKZ-CQSZACIVSA-N 1 0 365.396 2.378 20 30 FEEDRO C[C@@H]1CCCC[C@H]1[NH+]=C(NCc1ccoc1)NC[C@@H]1CCS(=O)(=O)C1 ZINC000262462106 549821784 /nfs/dbraw/zinc/82/17/84/549821784.db2.gz XTZSAIDLYATEFW-HYVNUMGLSA-N 1 0 367.515 2.328 20 30 FEEDRO C[N@H+](CCNC(=O)C(=O)Nc1ccc(C#N)cc1Cl)Cc1ccccc1 ZINC000490371771 561431858 /nfs/dbraw/zinc/43/18/58/561431858.db2.gz NIVTYQYDDTTYSJ-UHFFFAOYSA-N 1 0 370.840 2.398 20 30 FEEDRO C[S@](=O)Cc1ccc(CNC(=[NH2+])N[C@H]2CCOc3ccccc32)cc1 ZINC000262655383 549835926 /nfs/dbraw/zinc/83/59/26/549835926.db2.gz LLTQNBLZRKGUNJ-GKVSMKOHSA-N 1 0 357.479 2.493 20 30 FEEDRO N#Cc1ccc(NC(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)c(Cl)c1 ZINC000490523007 561434428 /nfs/dbraw/zinc/43/44/28/561434428.db2.gz WUCMVDZBAWWILF-CQSZACIVSA-N 1 0 360.845 2.094 20 30 FEEDRO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCCC[C@H]1[C@H]1CNC(=O)C1 ZINC000490626977 561436305 /nfs/dbraw/zinc/43/63/05/561436305.db2.gz AFVJXKSTRNXNTD-QRVBRYPASA-N 1 0 358.482 2.145 20 30 FEEDRO CCC[N@H+](CC)C[C@H](C)NC(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000490704226 561437612 /nfs/dbraw/zinc/43/76/12/561437612.db2.gz KLCIDHZEKOQLSP-DOTOQJQBSA-N 1 0 359.474 2.236 20 30 FEEDRO COc1ccc([C@@H](CNC(=O)CN(C)C[C@H](C)C#N)[NH+]2CCCCC2)cc1 ZINC000263726604 549927331 /nfs/dbraw/zinc/92/73/31/549927331.db2.gz RSVREDIKHGABIC-YLJYHZDGSA-N 1 0 372.513 2.430 20 30 FEEDRO Cc1cc(C)c(C#N)c(NCc2cccc(C(=O)NCC[NH+](C)C)c2)n1 ZINC000263883719 549950881 /nfs/dbraw/zinc/95/08/81/549950881.db2.gz QXXIHLYCACFIBV-UHFFFAOYSA-N 1 0 351.454 2.474 20 30 FEEDRO COc1ccc(CNC(=[NH2+])NCCc2ccc(OC)c(OC)c2)cc1O ZINC000264094756 549978509 /nfs/dbraw/zinc/97/85/09/549978509.db2.gz MCPMIPOVUJLACF-UHFFFAOYSA-N 1 0 359.426 2.065 20 30 FEEDRO COc1ccc(CNC(=[NH2+])NC[C@@H](c2ccccc2)N(C)C)cc1OC ZINC000264093302 549978564 /nfs/dbraw/zinc/97/85/64/549978564.db2.gz LKUTZZKTDLRDMW-KRWDZBQOSA-N 1 0 356.470 2.411 20 30 FEEDRO COc1ccc(CNC(=[NH2+])NCc2ccc3c(c2)OCCCO3)cc1OC ZINC000264116404 549980482 /nfs/dbraw/zinc/98/04/82/549980482.db2.gz SSMVQMMIRWFRTQ-UHFFFAOYSA-N 1 0 371.437 2.470 20 30 FEEDRO COC[C@@H](C)NC(=[NH2+])NCCC(=O)Nc1cc(Br)ccc1C ZINC000264308360 549993869 /nfs/dbraw/zinc/99/38/69/549993869.db2.gz UJDFFZXDJVVFKP-LLVKDONJSA-N 1 0 371.279 2.025 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)Nc2nnc(Cc3cccc(OC)c3)s2)CC1 ZINC000264361229 549994554 /nfs/dbraw/zinc/99/45/54/549994554.db2.gz FQPOLKUDQQONMS-UHFFFAOYSA-N 1 0 370.478 2.421 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)CCCCN1CCOCC1)C(C)C ZINC000264918127 550003677 /nfs/dbraw/zinc/00/36/77/550003677.db2.gz PCITYZCRTKXJDV-LJQANCHMSA-N 1 0 351.535 2.304 20 30 FEEDRO C#CCCOc1ccc(C[NH2+]Cc2ccc(OCC(N)=O)c(OC)c2)cc1 ZINC000264956848 550004343 /nfs/dbraw/zinc/00/43/43/550004343.db2.gz MOJVJYBVAJNZSA-UHFFFAOYSA-N 1 0 368.433 2.251 20 30 FEEDRO CCC(CC)[C@H](CNC(=O)C(=O)Nc1cccc(OCC#N)c1)[NH+](C)C ZINC000265376733 550009684 /nfs/dbraw/zinc/00/96/84/550009684.db2.gz IHEZEHAYWYINJW-KRWDZBQOSA-N 1 0 360.458 2.010 20 30 FEEDRO N#CCN1CCC[C@@H](CNC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000266109441 550017298 /nfs/dbraw/zinc/01/72/98/550017298.db2.gz SJYNKENUHZJHJX-VQTJNVASSA-N 1 0 354.498 2.250 20 30 FEEDRO CC(C)(C)NC(=[NH2+])NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N ZINC000267426820 550031087 /nfs/dbraw/zinc/03/10/87/550031087.db2.gz LMZWESCFDKVXDL-UHFFFAOYSA-N 1 0 357.437 2.101 20 30 FEEDRO CCOC(=O)N1CCC(NC(=[NH2+])NC[C@@H]2CCOc3ccccc32)CC1 ZINC000267473113 550032215 /nfs/dbraw/zinc/03/22/15/550032215.db2.gz YKWJQGBTABVYHT-AWEZNQCLSA-N 1 0 360.458 2.078 20 30 FEEDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)Nc1ccccc1SCCC#N ZINC000268235064 550038158 /nfs/dbraw/zinc/03/81/58/550038158.db2.gz ZGCYQTURXJMCPL-BBRMVZONSA-N 1 0 372.494 2.230 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc3c(c2)CC(C)(C)O3)CC1 ZINC000268332346 550050653 /nfs/dbraw/zinc/05/06/53/550050653.db2.gz HMHKVKXYDBXUNI-UHFFFAOYSA-N 1 0 371.481 2.495 20 30 FEEDRO Cc1ccc(CNC(Nc2ccccc2)=[NH+]C[C@H]2CC[C@H](C(N)=O)O2)cc1 ZINC000268375332 550056040 /nfs/dbraw/zinc/05/60/40/550056040.db2.gz IKRXEXUACIXLMR-RTBURBONSA-N 1 0 366.465 2.395 20 30 FEEDRO C#CCOc1cccc(NC(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c1 ZINC000269089231 550153457 /nfs/dbraw/zinc/15/34/57/550153457.db2.gz BNDXMLROUWRSCG-RTBURBONSA-N 1 0 357.454 2.198 20 30 FEEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)C[C@H]1C[NH2+]CCO1 ZINC000269220681 550168912 /nfs/dbraw/zinc/16/89/12/550168912.db2.gz JXKMOYPGCIJHPG-AWEZNQCLSA-N 1 0 371.250 2.481 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Cn1cc(Br)cn1)C(C)C ZINC000493094869 561454419 /nfs/dbraw/zinc/45/44/19/561454419.db2.gz BKWUQCYKQRIAPC-OAHLLOKOSA-N 1 0 369.307 2.460 20 30 FEEDRO C#CC[C@@H](NC(=O)NC[C@H](C(C)C)[NH+]1CCN(C)CC1)c1ccccc1 ZINC000270438204 550272562 /nfs/dbraw/zinc/27/25/62/550272562.db2.gz JJDFLZSIZHVQEJ-WOJBJXKFSA-N 1 0 356.514 2.322 20 30 FEEDRO CC(C)[NH+]1CCN(C2CCN(c3nc4c(cc3C#N)CCC4)CC2)CC1 ZINC000270507076 550278628 /nfs/dbraw/zinc/27/86/28/550278628.db2.gz VXVWSCMBYCHMEN-UHFFFAOYSA-N 1 0 353.514 2.437 20 30 FEEDRO CN1CCN(C(=O)CC[NH2+]C2CCC(C#N)(c3ccccc3)CC2)CC1 ZINC000271077424 550337957 /nfs/dbraw/zinc/33/79/57/550337957.db2.gz OZRUZWBNFYLTKV-UHFFFAOYSA-N 1 0 354.498 2.144 20 30 FEEDRO Cc1cc(NC(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)nn1CCC#N ZINC000271079080 550338342 /nfs/dbraw/zinc/33/83/42/550338342.db2.gz QVGCZOFNSDHJPG-UHFFFAOYSA-N 1 0 366.469 2.105 20 30 FEEDRO COc1cc([C@@H](C)[NH2+]CC(=O)N[C@@](C)(C#N)C(C)C)cc(OC)c1OC ZINC000271770783 550400800 /nfs/dbraw/zinc/40/08/00/550400800.db2.gz NSFDWKBCLUMPPH-YJYMSZOUSA-N 1 0 363.458 2.417 20 30 FEEDRO Cc1cc(NC(=O)NCC[N@@H+]2CCc3ccccc3C2)nn1CCC#N ZINC000272076883 550420873 /nfs/dbraw/zinc/42/08/73/550420873.db2.gz LDIMIJWNFWCVBG-UHFFFAOYSA-N 1 0 352.442 2.285 20 30 FEEDRO [NH2+]=C(NC[C@@H]1CC(=O)N(C2CC2)C1)Nc1ccccc1OC(F)(F)F ZINC000272375160 550442072 /nfs/dbraw/zinc/44/20/72/550442072.db2.gz HXSZVPVGNBJTOG-JTQLQIEISA-N 1 0 356.348 2.323 20 30 FEEDRO C=CCS(=O)(=O)CC[NH2+][C@@H](C)c1ccc(OC)c(Cn2cccn2)c1 ZINC000272835713 550473064 /nfs/dbraw/zinc/47/30/64/550473064.db2.gz ITJQBXHMEOLVMF-HNNXBMFYSA-N 1 0 363.483 2.191 20 30 FEEDRO C[C@@H]([NH2+]CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)c1cnn(C)c1 ZINC000273251767 550491484 /nfs/dbraw/zinc/49/14/84/550491484.db2.gz CKIPAOARSIMNAP-CYBMUJFWSA-N 1 0 364.371 2.257 20 30 FEEDRO [NH2+]=C(NCCCN1CCOCC1)NCC1(CCOCc2ccccc2)CC1 ZINC000274493242 550540314 /nfs/dbraw/zinc/54/03/14/550540314.db2.gz IWQVAXXCSDKZIZ-UHFFFAOYSA-N 1 0 374.529 2.000 20 30 FEEDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(S(=O)(=O)c2cccnc2C#N)C1 ZINC000277010389 550621628 /nfs/dbraw/zinc/62/16/28/550621628.db2.gz LIVGTSLTGYIPBS-JKSUJKDBSA-N 1 0 362.499 2.228 20 30 FEEDRO CC(C)Oc1ccc(NC(=O)C(=O)N2CCC[C@H]([NH+](C)C)CC2)cc1C#N ZINC000277084140 550630167 /nfs/dbraw/zinc/63/01/67/550630167.db2.gz JNKPFPABXJSJIQ-KRWDZBQOSA-N 1 0 372.469 2.227 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CCCN(c3cc(C)nn3C)C2)CC1 ZINC000278085970 550747322 /nfs/dbraw/zinc/74/73/22/550747322.db2.gz XNPZDZQNONYSJC-SFHVURJKSA-N 1 0 374.533 2.037 20 30 FEEDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1CC(=O)N(CCC#N)c1ccccc1 ZINC000278721360 550814902 /nfs/dbraw/zinc/81/49/02/550814902.db2.gz RUCLRTNBTYAKSY-GOSISDBHSA-N 1 0 370.497 2.118 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@H](COC)[C@H]1CCCO1 ZINC000278742066 550816872 /nfs/dbraw/zinc/81/68/72/550816872.db2.gz ADJMGIWZCGZTOV-USXIJHARSA-N 1 0 352.500 2.435 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@@H](COC)[C@H]1CCCO1 ZINC000278742056 550816890 /nfs/dbraw/zinc/81/68/90/550816890.db2.gz ADJMGIWZCGZTOV-BHYGNILZSA-N 1 0 352.500 2.435 20 30 FEEDRO C#CCn1ccc(CN(CC)C(=O)NCC[N@@H+]2CCc3ccccc3C2)n1 ZINC000279275733 550872359 /nfs/dbraw/zinc/87/23/59/550872359.db2.gz SKQGTCCPRDEOPM-UHFFFAOYSA-N 1 0 365.481 2.106 20 30 FEEDRO N#CCCn1cc(CN(CCO)Cc2cccnc2)c(-c2ccncc2)n1 ZINC000279413882 550887546 /nfs/dbraw/zinc/88/75/46/550887546.db2.gz OGMFBMKLGIDIRT-UHFFFAOYSA-N 1 0 362.437 2.248 20 30 FEEDRO N#Cc1ccc(OC2CCC(NC(=O)[C@@H]3CCC[N@@H+]3C3CC3)CC2)nc1 ZINC000279963133 550947537 /nfs/dbraw/zinc/94/75/37/550947537.db2.gz SZNASEYWSOENGX-VJFUWPCTSA-N 1 0 354.454 2.386 20 30 FEEDRO C=C(C)CS(=O)(=O)N[C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000280528045 551004181 /nfs/dbraw/zinc/00/41/81/551004181.db2.gz GNOWUFJRCDEZOC-AWEZNQCLSA-N 1 0 355.479 2.134 20 30 FEEDRO N#Cc1ccc(C[C@H](C#N)C(=O)NC2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000280751623 551028199 /nfs/dbraw/zinc/02/81/99/551028199.db2.gz HXOIDUNQRWFOQA-LJQANCHMSA-N 1 0 373.460 2.416 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)Nc1cnc(C(C)C)nc1)C(C)C ZINC000280837806 551037629 /nfs/dbraw/zinc/03/76/29/551037629.db2.gz WUKHJHNUDLYVNU-KRWDZBQOSA-N 1 0 373.501 2.353 20 30 FEEDRO COCC[N@H+](C)CC[C@H](NC(=O)c1cc(C#N)ccn1)c1ccccc1 ZINC000496410676 561493852 /nfs/dbraw/zinc/49/38/52/561493852.db2.gz IWRDLIXFCMWLAR-SFHVURJKSA-N 1 0 352.438 2.393 20 30 FEEDRO C[NH+](C)CC1(NC(=O)CCC(=O)N(CCC#N)c2ccccc2)CCC1 ZINC000281132316 551066979 /nfs/dbraw/zinc/06/69/79/551066979.db2.gz UETFFDRSRPVSMS-UHFFFAOYSA-N 1 0 356.470 2.314 20 30 FEEDRO C=CCN1CC[C@@H](N(C)C(=O)c2oc3ccccc3c2C[NH+](C)C)C1=O ZINC000281262345 551079056 /nfs/dbraw/zinc/07/90/56/551079056.db2.gz GUOLXFXHANIESM-MRXNPFEDSA-N 1 0 355.438 2.353 20 30 FEEDRO CNC(=O)[C@@]1(C)CC[N@@H+]([C@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)C1 ZINC000281263561 551079141 /nfs/dbraw/zinc/07/91/41/551079141.db2.gz VOIJGMMUVZZECU-UZLBHIALSA-N 1 0 356.470 2.088 20 30 FEEDRO CN(CCC[NH+]1CCCC1)C(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000281474328 551101846 /nfs/dbraw/zinc/10/18/46/551101846.db2.gz OQLOYCUWQAQUAW-UHFFFAOYSA-N 1 0 356.470 2.371 20 30 FEEDRO COc1cc(C#N)ccc1OCC[NH2+][C@@]1(CO)CCOc2ccccc21 ZINC000281655542 551126291 /nfs/dbraw/zinc/12/62/91/551126291.db2.gz KJMHPWZJHMKSBU-HXUWFJFHSA-N 1 0 354.406 2.206 20 30 FEEDRO C=CCN1CC[C@@H]([NH+]2CCC(NC(=O)Nc3ccc(F)cc3)CC2)C1=O ZINC000282023947 551170994 /nfs/dbraw/zinc/17/09/94/551170994.db2.gz PKRSTVDCZGLDTF-QGZVFWFLSA-N 1 0 360.433 2.199 20 30 FEEDRO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H](CNC(=O)Nc3cccc(F)c3)C2)C1=O ZINC000282070556 551176731 /nfs/dbraw/zinc/17/67/31/551176731.db2.gz SXAYOUWRGBOKDZ-CRAIPNDOSA-N 1 0 374.460 2.446 20 30 FEEDRO CCOc1ccnc(N2CCC[N@H+](CCCC3(C#N)CCOCC3)CC2)n1 ZINC000282104966 551180906 /nfs/dbraw/zinc/18/09/06/551180906.db2.gz WIIRMPLRPDGIOM-UHFFFAOYSA-N 1 0 373.501 2.488 20 30 FEEDRO C=CCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[NH+](C2CC2)CC1 ZINC000282131858 551184668 /nfs/dbraw/zinc/18/46/68/551184668.db2.gz ASVOPZKYQNHKMP-UHFFFAOYSA-N 1 0 369.469 2.433 20 30 FEEDRO C[NH+](C)CCc1ccc(NC(=O)C(=O)NCC2CCC(C#N)CC2)cc1 ZINC000282177018 551190933 /nfs/dbraw/zinc/19/09/33/551190933.db2.gz XMIQURTVJBDTIZ-UHFFFAOYSA-N 1 0 356.470 2.175 20 30 FEEDRO C=CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[NH+](C2CC2)CC1 ZINC000282545059 551244752 /nfs/dbraw/zinc/24/47/52/551244752.db2.gz IHUDGAXTTMNHAL-UHFFFAOYSA-N 1 0 367.453 2.187 20 30 FEEDRO C=CCn1c(Cc2ccccc2F)nnc1N1CCN(CCOCC)CC1 ZINC000282672752 551258078 /nfs/dbraw/zinc/25/80/78/551258078.db2.gz RZWJKFNKXBRJDX-UHFFFAOYSA-N 1 0 373.476 2.353 20 30 FEEDRO CN1CCN(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)C[C@H]1C#N ZINC000282895306 551282731 /nfs/dbraw/zinc/28/27/31/551282731.db2.gz XOXNMTOBTNPTPD-MOPGFXCFSA-N 1 0 369.513 2.136 20 30 FEEDRO C[C@H](NC(=O)c1cc(C#N)ccn1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000282938119 551287248 /nfs/dbraw/zinc/28/72/48/551287248.db2.gz DGKADCXDPBPKFV-AWEZNQCLSA-N 1 0 367.428 2.335 20 30 FEEDRO N#Cc1ccc(C[NH2+][C@@H]2CCN(C(=O)COc3ccccc3)C2)c(F)c1 ZINC000283105343 551312329 /nfs/dbraw/zinc/31/23/29/551312329.db2.gz XOYSPGVGKOVYLI-QGZVFWFLSA-N 1 0 353.397 2.467 20 30 FEEDRO C=C(C)Cn1c(-c2ccccn2)nnc1N1CC[NH+](CCOC(C)C)CC1 ZINC000283388491 551358228 /nfs/dbraw/zinc/35/82/28/551358228.db2.gz VOXYDKKOIVRIMV-UHFFFAOYSA-N 1 0 370.501 2.463 20 30 FEEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCCC[NH+]1CCCCC1 ZINC000283453196 551368872 /nfs/dbraw/zinc/36/88/72/551368872.db2.gz KOYVTSWLHMBAJY-UHFFFAOYSA-N 1 0 370.497 2.289 20 30 FEEDRO CCOC(=O)N1CCC(NC(=[NH2+])NCc2cc(C)cc(Cl)n2)CC1 ZINC000283833722 551434846 /nfs/dbraw/zinc/43/48/46/551434846.db2.gz RIUYGYRVINQGFP-UHFFFAOYSA-N 1 0 353.854 2.069 20 30 FEEDRO CC(C)N(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000283850863 551438038 /nfs/dbraw/zinc/43/80/38/551438038.db2.gz HNYVXNPYGUDKMD-QGZVFWFLSA-N 1 0 370.497 2.286 20 30 FEEDRO CC(C)[NH+](CCCNC(=O)C(=O)N[C@@H](C)c1ccc(C#N)cc1)C(C)C ZINC000284044192 551473487 /nfs/dbraw/zinc/47/34/87/551473487.db2.gz PQLRBBYQVDUDHG-INIZCTEOSA-N 1 0 358.486 2.361 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N(CC)Cc1ccccn1)C(C)C ZINC000284057657 551476164 /nfs/dbraw/zinc/47/61/64/551476164.db2.gz NCIRVHKTKSSLMC-LJQANCHMSA-N 1 0 372.513 2.245 20 30 FEEDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)C(=O)NCCCCC#N)cc1 ZINC000284441439 551549842 /nfs/dbraw/zinc/54/98/42/551549842.db2.gz LPBMQKGWIAYEGW-KRWDZBQOSA-N 1 0 370.497 2.487 20 30 FEEDRO C[NH+](C)C[C@H]1CCCN1C(=O)C1CCN(c2ccc(C#N)cc2F)CC1 ZINC000285310815 551735842 /nfs/dbraw/zinc/73/58/42/551735842.db2.gz MVOFSMIJGKCZHV-QGZVFWFLSA-N 1 0 358.461 2.466 20 30 FEEDRO C[C@@H]([NH2+][C@@H]1CCCN(S(=O)(=O)C2CC2)C1)c1ccc(C#N)c(F)c1 ZINC000285550148 551773568 /nfs/dbraw/zinc/77/35/68/551773568.db2.gz DWPNOKKENVYDPD-IUODEOHRSA-N 1 0 351.447 2.305 20 30 FEEDRO C[NH+](C)CCNS(=O)(=O)c1cccc(NCc2ccc(C#N)cc2)c1 ZINC000285731246 551802442 /nfs/dbraw/zinc/80/24/42/551802442.db2.gz XMWJUWZTQCRRSW-UHFFFAOYSA-N 1 0 358.467 2.010 20 30 FEEDRO C[C@@H]1CN(C(=O)C2CCN(c3ccc(C#N)cc3F)CC2)C[C@@H]1[NH+](C)C ZINC000285969159 551833139 /nfs/dbraw/zinc/83/31/39/551833139.db2.gz GZZFZAINDCDEBA-KUHUBIRLSA-N 1 0 358.461 2.322 20 30 FEEDRO N#Cc1ccc(N2CCC([NH2+]C[C@H]3COC4(CCOCC4)O3)CC2)cc1 ZINC000286002806 551836779 /nfs/dbraw/zinc/83/67/79/551836779.db2.gz HSCJMEZABPWVEE-IBGZPJMESA-N 1 0 357.454 2.039 20 30 FEEDRO N#CCC[C@@H](C#N)CN1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000286072021 551845588 /nfs/dbraw/zinc/84/55/88/551845588.db2.gz RXWFGYUZKQCYPQ-LEWJYISDSA-N 1 0 351.498 2.322 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(Cc2ccc(F)cc2)C2CC2)CC1 ZINC000286432385 551884827 /nfs/dbraw/zinc/88/48/27/551884827.db2.gz GLJPEWDRTAXOPD-UHFFFAOYSA-N 1 0 373.472 2.473 20 30 FEEDRO N#Cc1ccc(NC(=O)CC[N@@H+]2CC[C@H](C(F)(F)F)[C@H](CO)C2)cc1 ZINC000286729903 551919590 /nfs/dbraw/zinc/91/95/90/551919590.db2.gz XQZKZEFRSAOXHL-ZFWWWQNUSA-N 1 0 355.360 2.380 20 30 FEEDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000286743370 551921012 /nfs/dbraw/zinc/92/10/12/551921012.db2.gz OOAKFMAROVDLDM-IUODEOHRSA-N 1 0 353.875 2.459 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N2C[C@@H](c3ccccc3C)C[C@H]2C)CC1 ZINC000286754236 551922380 /nfs/dbraw/zinc/92/23/80/551922380.db2.gz SVPYGRURMCVSCQ-MSOLQXFVSA-N 1 0 369.509 2.466 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H](c3cccc(C)c3)C2)CC1 ZINC000286799567 551927271 /nfs/dbraw/zinc/92/72/71/551927271.db2.gz UWHOIOFQIKVROR-GOSISDBHSA-N 1 0 355.482 2.078 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCc3ccccc3[C@H]2C)CC1 ZINC000286806903 551928004 /nfs/dbraw/zinc/92/80/04/551928004.db2.gz VIRFMUWSXHQANC-MRXNPFEDSA-N 1 0 355.482 2.289 20 30 FEEDRO C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]CCn1cnc(C#N)n1 ZINC000286952575 551944126 /nfs/dbraw/zinc/94/41/26/551944126.db2.gz BQDZYCYEAPZNRZ-NSHDSACASA-N 1 0 366.347 2.175 20 30 FEEDRO C#CCOc1cc(F)ccc1NC(=O)N1C[C@@H](N2CCOCC2)C[C@H]1C ZINC000287191657 551974887 /nfs/dbraw/zinc/97/48/87/551974887.db2.gz QANBMNYONNKJPE-ZBFHGGJFSA-N 1 0 361.417 2.165 20 30 FEEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@@H]([NH+]2CCCC2)[C@H]1C ZINC000287376964 551996294 /nfs/dbraw/zinc/99/62/94/551996294.db2.gz XNBZVXDVQXQTDJ-CRAIPNDOSA-N 1 0 356.470 2.294 20 30 FEEDRO Cc1c(NC(=O)N(CCC#N)CCC[NH+](C)C)n(C)nc1C(F)(F)F ZINC000287526355 552015496 /nfs/dbraw/zinc/01/54/96/552015496.db2.gz KQEAEWGSXIUQKG-UHFFFAOYSA-N 1 0 360.384 2.447 20 30 FEEDRO C=CCCOCCNC(=O)c1cnn(CC[NH+](C)C)c1-c1ccccc1 ZINC000287661798 552031709 /nfs/dbraw/zinc/03/17/09/552031709.db2.gz KCIPHWBITUUIJH-UHFFFAOYSA-N 1 0 356.470 2.434 20 30 FEEDRO C[C@@H]1[C@H](NC(=O)C(=O)Nc2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000287721844 552038209 /nfs/dbraw/zinc/03/82/09/552038209.db2.gz ACJYSCQHHUSOEG-DNVCBOLYSA-N 1 0 362.433 2.276 20 30 FEEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NS(=O)(=O)c1ccc(C#N)o1 ZINC000288191056 552107555 /nfs/dbraw/zinc/10/75/55/552107555.db2.gz PRFFMWYTULJOCR-PBHICJAKSA-N 1 0 359.451 2.340 20 30 FEEDRO CC[C@@H](CO)[NH+]1CCN(c2c(C#N)cnc3c(F)c(F)c(F)cc32)CC1 ZINC000288417442 552150222 /nfs/dbraw/zinc/15/02/22/552150222.db2.gz NPUVMJMZCLRUFP-LBPRGKRZSA-N 1 0 364.371 2.417 20 30 FEEDRO C=CC[C@@H](CC)NC(=O)C(=O)Nc1cccc(NC(=O)C[NH+](CC)CC)c1 ZINC000288510630 552166164 /nfs/dbraw/zinc/16/61/64/552166164.db2.gz UBJJRQJKDPVGML-OAHLLOKOSA-N 1 0 374.485 2.376 20 30 FEEDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)N(C)Cc2ccc(C#N)cc2)C1 ZINC000288894929 552231861 /nfs/dbraw/zinc/23/18/61/552231861.db2.gz UDRSHYOBIIROJO-LJQANCHMSA-N 1 0 370.497 2.001 20 30 FEEDRO COCC1(C#N)CCN(C(=O)NC[C@@H]2CCC[N@H+](CC(C)C)C2)CC1 ZINC000500179864 561567332 /nfs/dbraw/zinc/56/73/32/561567332.db2.gz GUUAWZALDYVVKT-KRWDZBQOSA-N 1 0 350.507 2.316 20 30 FEEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)NCCC1CC[NH+](C)CC1 ZINC000289117030 552268707 /nfs/dbraw/zinc/26/87/07/552268707.db2.gz TWEIWTJKJOVUFN-UHFFFAOYSA-N 1 0 373.497 2.058 20 30 FEEDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)C(=O)Nc1ccc(C#N)cc1Cl ZINC000289120923 552269590 /nfs/dbraw/zinc/26/95/90/552269590.db2.gz QHPUMIQOWMXKEV-GXTWGEPZSA-N 1 0 360.845 2.235 20 30 FEEDRO CCCN(CC[NH+]1CCCC1)C(=O)C(=O)Nc1ccc(Cl)c(C#N)c1 ZINC000289190548 552279676 /nfs/dbraw/zinc/27/96/76/552279676.db2.gz UDEUVSXPHDTCCC-UHFFFAOYSA-N 1 0 362.861 2.485 20 30 FEEDRO C#CCCOc1ccc(C[N@H+]2CCC[C@H](CN(C)S(C)(=O)=O)C2)cc1 ZINC000289313613 552300098 /nfs/dbraw/zinc/30/00/98/552300098.db2.gz FAQDVQSTUCAVKY-GOSISDBHSA-N 1 0 364.511 2.192 20 30 FEEDRO C=CCN(CC=C)C(=O)C[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1C ZINC000289427593 552320128 /nfs/dbraw/zinc/32/01/28/552320128.db2.gz VGQYTCOYEKRVLC-CVEARBPZSA-N 1 0 351.491 2.422 20 30 FEEDRO COc1ccc(C[C@@H](CO)C[NH2+]Cc2ccc(C#N)c(OC)c2)cc1O ZINC000289489979 552330127 /nfs/dbraw/zinc/33/01/27/552330127.db2.gz RMGNVBJIRGGJEV-MRXNPFEDSA-N 1 0 356.422 2.222 20 30 FEEDRO C[C@H]1C[C@@H](NS(=O)(=O)c2cncc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000289613090 552349683 /nfs/dbraw/zinc/34/96/83/552349683.db2.gz YONPRZFKPJLJRK-YJBOKZPZSA-N 1 0 370.478 2.285 20 30 FEEDRO CS(=O)(=O)NC[C@H]1CCC[C@@H]1[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000500506555 561575420 /nfs/dbraw/zinc/57/54/20/561575420.db2.gz DLHWSINXODONFZ-AEFFLSMTSA-N 1 0 365.499 2.177 20 30 FEEDRO Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N3CC[N@@H+](C)CC3(C)C)C2)n1 ZINC000500509031 561575485 /nfs/dbraw/zinc/57/54/85/561575485.db2.gz VBOJWCVQFZSLHU-KRWDZBQOSA-N 1 0 355.486 2.031 20 30 FEEDRO C=CCN(CCc1ccccc1)C(=O)C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1 ZINC000289721900 552367731 /nfs/dbraw/zinc/36/77/31/552367731.db2.gz PIHSNVYSUJJOMY-KRWDZBQOSA-N 1 0 355.482 2.010 20 30 FEEDRO CC[NH+](CC)CCN(CC(C)C)C(=O)C(=O)Nc1ccc(C#N)c(F)c1 ZINC000290229982 552445762 /nfs/dbraw/zinc/44/57/62/552445762.db2.gz KUFJHPGVULIBHU-UHFFFAOYSA-N 1 0 362.449 2.462 20 30 FEEDRO CC[NH+](CC)[C@@H](CNC(=O)C(=O)Nc1ccc(C#N)c(F)c1)c1ccco1 ZINC000290238749 552446883 /nfs/dbraw/zinc/44/68/83/552446883.db2.gz LTUNQOTXKYRWTL-INIZCTEOSA-N 1 0 372.400 2.428 20 30 FEEDRO N#Cc1ccc(NC(=O)C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)cc1F ZINC000290357873 552466217 /nfs/dbraw/zinc/46/62/17/552466217.db2.gz ZCIQPMAMSYTXEA-INIZCTEOSA-N 1 0 358.417 2.113 20 30 FEEDRO C=CCn1c(-c2ccccn2)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000290396726 552472848 /nfs/dbraw/zinc/47/28/48/552472848.db2.gz OAPPZQISQGYOEY-QGZVFWFLSA-N 1 0 368.485 2.075 20 30 FEEDRO C=C[C@](C)(O)CC(=O)NC1CC[NH+](CCOc2ccc(F)cc2)CC1 ZINC000290632400 552509841 /nfs/dbraw/zinc/50/98/41/552509841.db2.gz YUAJZYRUZGFRPE-IBGZPJMESA-N 1 0 350.434 2.112 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)NCc2ccc(COCCOC)cc2)CC1 ZINC000291309473 552613052 /nfs/dbraw/zinc/61/30/52/552613052.db2.gz SUMKPWMSRJLGPY-UHFFFAOYSA-N 1 0 361.486 2.299 20 30 FEEDRO Cc1ccc2ncc(C#N)c(N3CC[NH+](CCC(=O)N(C)C)CC3)c2c1 ZINC000291802533 552663167 /nfs/dbraw/zinc/66/31/67/552663167.db2.gz DXKZZIQBMHTUBK-UHFFFAOYSA-N 1 0 351.454 2.015 20 30 FEEDRO C[C@H](CCNC(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1)[NH+]1CCCCC1 ZINC000292300985 552713597 /nfs/dbraw/zinc/71/35/97/552713597.db2.gz MYIBAXBTDVCEHX-AEFFLSMTSA-N 1 0 371.485 2.380 20 30 FEEDRO C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292312363 552714811 /nfs/dbraw/zinc/71/48/11/552714811.db2.gz VKWYBDKDNZUKFM-KBXCAEBGSA-N 1 0 361.405 2.305 20 30 FEEDRO N#Cc1ccc(O[C@H]2CC[N@@H+](CCOc3ccccc3[N+](=O)[O-])C2)nc1 ZINC000292350145 552718597 /nfs/dbraw/zinc/71/85/97/552718597.db2.gz XKJPRWLEDHDJFM-HNNXBMFYSA-N 1 0 354.366 2.394 20 30 FEEDRO C#CCNC(=O)CC[N@H+]1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000292668469 552748119 /nfs/dbraw/zinc/74/81/19/552748119.db2.gz AXCQMUZSCKXXBD-HNNXBMFYSA-N 1 0 356.401 2.195 20 30 FEEDRO COc1cc(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)cc2c1OCO2 ZINC000292746146 552754617 /nfs/dbraw/zinc/75/46/17/552754617.db2.gz HZGOLBQVVGNAFD-HNNXBMFYSA-N 1 0 353.378 2.344 20 30 FEEDRO C[C@@](C#N)(NC(=O)C[NH2+]C1(Cc2cccc(F)c2)CCOCC1)C1CC1 ZINC000292948213 552773748 /nfs/dbraw/zinc/77/37/48/552773748.db2.gz IMMSANNTVUUUQO-IBGZPJMESA-N 1 0 359.445 2.315 20 30 FEEDRO CC[NH+](CC)[C@H](CNC(=O)C(=O)Nc1ccc(C#N)cn1)c1ccsc1 ZINC000293073765 552786182 /nfs/dbraw/zinc/78/61/82/552786182.db2.gz PVYXKVRLTISNMD-OAHLLOKOSA-N 1 0 371.466 2.153 20 30 FEEDRO C[N@@H+]1CC[C@]2(CCN(C(=O)C(=O)Nc3ccccc3SCCC#N)C2)C1 ZINC000293120057 552790755 /nfs/dbraw/zinc/79/07/55/552790755.db2.gz DRUYDUWOHMRWED-IBGZPJMESA-N 1 0 372.494 2.185 20 30 FEEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)NC[C@H](C)C[NH+](C)C ZINC000293179892 552796477 /nfs/dbraw/zinc/79/64/77/552796477.db2.gz MWOKSDOQUXPMAR-KGLIPLIRSA-N 1 0 362.499 2.191 20 30 FEEDRO C[NH+](C)CC[C@H](NC(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1)C(C)(C)C ZINC000293206742 552798935 /nfs/dbraw/zinc/79/89/35/552798935.db2.gz ZQWKLGNZAHFDJW-IRXDYDNUSA-N 1 0 373.501 2.482 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ncc(C2CCCCC2)s1 ZINC000293232278 552801590 /nfs/dbraw/zinc/80/15/90/552801590.db2.gz CJVNRPXQLQBFRC-UHFFFAOYSA-N 1 0 362.499 2.201 20 30 FEEDRO C[C@@H](CNC(=O)C(=O)Nc1ccccc1S[C@@H](C)CC#N)C[NH+](C)C ZINC000293311721 552810292 /nfs/dbraw/zinc/81/02/92/552810292.db2.gz XHJHYTIEEODWHO-KBPBESRZSA-N 1 0 362.499 2.333 20 30 FEEDRO N#Cc1ccc(OC[C@H](O)C[NH+]2CCC(CO)(c3ccccc3)CC2)cc1 ZINC000293434310 552823115 /nfs/dbraw/zinc/82/31/15/552823115.db2.gz UOWATTJRCSRGJR-HXUWFJFHSA-N 1 0 366.461 2.324 20 30 FEEDRO C[C@H]1C[C@H](NC(=O)C(=O)Nc2sccc2C#N)C[N@@H+]1Cc1ccccc1 ZINC000294227610 552889538 /nfs/dbraw/zinc/88/95/38/552889538.db2.gz XNZCXLCNHIGPIM-BBRMVZONSA-N 1 0 368.462 2.337 20 30 FEEDRO C#CCO[C@@H](C)C(=O)Nc1ccnn1[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000295413739 553002540 /nfs/dbraw/zinc/00/25/40/553002540.db2.gz DIKJFUVYADKMJB-WMZOPIPTSA-N 1 0 352.438 2.307 20 30 FEEDRO C=CCc1cc(C(=O)N[C@@H]2CCC[N@H+](CCCO)C2)cc(OC)c1OC ZINC000295581071 553028209 /nfs/dbraw/zinc/02/82/09/553028209.db2.gz VRRPFZAXDUHTFR-QGZVFWFLSA-N 1 0 362.470 2.009 20 30 FEEDRO C[C@H]1CCCC[N@@H+]1CCCNS(=O)(=O)Cc1ccc(F)cc1C#N ZINC000296040919 553094677 /nfs/dbraw/zinc/09/46/77/553094677.db2.gz SQRQEDLETJZDLH-AWEZNQCLSA-N 1 0 353.463 2.381 20 30 FEEDRO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1CCC(CCC(N)=O)CC1 ZINC000502548590 561620841 /nfs/dbraw/zinc/62/08/41/561620841.db2.gz MZMFBDAGIXTJKI-NGEICVOHSA-N 1 0 362.518 2.283 20 30 FEEDRO C[NH+](C)CCN(Cc1ccco1)S(=O)(=O)Cc1ccc(F)cc1C#N ZINC000296393936 553152432 /nfs/dbraw/zinc/15/24/32/553152432.db2.gz STOLNZLQFNVSTI-UHFFFAOYSA-N 1 0 365.430 2.184 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)NCC1(c2ccc(F)cc2)CCOCC1 ZINC000296472406 553166004 /nfs/dbraw/zinc/16/60/04/553166004.db2.gz WJZUJTZKCFFXAS-UHFFFAOYSA-N 1 0 361.461 2.128 20 30 FEEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000296489915 553168654 /nfs/dbraw/zinc/16/86/54/553168654.db2.gz NOSSQTHNBCHZAQ-INIZCTEOSA-N 1 0 360.458 2.314 20 30 FEEDRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000502835793 561627105 /nfs/dbraw/zinc/62/71/05/561627105.db2.gz HMZASVBZGJGIOR-HZPDHXFCSA-N 1 0 362.861 2.091 20 30 FEEDRO C[N@H+](CCCOc1cccc(C#N)c1)C[C@H](O)CNC(=O)OC(C)(C)C ZINC000296817495 553215645 /nfs/dbraw/zinc/21/56/45/553215645.db2.gz RRVYQBYIBCILKY-MRXNPFEDSA-N 1 0 363.458 2.145 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)N1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC000296928713 553231071 /nfs/dbraw/zinc/23/10/71/553231071.db2.gz OSBVTCSENJTRKP-UHFFFAOYSA-N 1 0 359.445 2.385 20 30 FEEDRO COC[C@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCC2)[C@@H]1CCCO1 ZINC000298448450 553425919 /nfs/dbraw/zinc/42/59/19/553425919.db2.gz HHQNRSDKBIIPQR-GJZGRUSLSA-N 1 0 363.483 2.221 20 30 FEEDRO C[NH+]1CCC([C@@H]2CCN(C(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)C2)CC1 ZINC000503614014 561645580 /nfs/dbraw/zinc/64/55/80/561645580.db2.gz VWWNVVQZPGZLLE-OXQOHEQNSA-N 1 0 363.502 2.438 20 30 FEEDRO N#Cc1ccc(N2CC[NH+](CCC(=O)Nc3ccc(F)cc3)CC2)nc1 ZINC000299067134 553510692 /nfs/dbraw/zinc/51/06/92/553510692.db2.gz OPCMYWZTNWZHTB-UHFFFAOYSA-N 1 0 353.401 2.243 20 30 FEEDRO C=CCN(CCc1ccccc1)C(=O)C(=O)N1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000299077944 553512436 /nfs/dbraw/zinc/51/24/36/553512436.db2.gz KDMSVRLODUKPAP-IBGZPJMESA-N 1 0 357.498 2.044 20 30 FEEDRO C=CCN(CCc1ccccc1)C(=O)C(=O)N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000299097420 553515201 /nfs/dbraw/zinc/51/52/01/553515201.db2.gz KWNHAKHCRVJQQL-HXUWFJFHSA-N 1 0 371.525 2.434 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)NCc2ccc(NC(=O)c3ccco3)cc2)CC1 ZINC000299162481 553523456 /nfs/dbraw/zinc/52/34/56/553523456.db2.gz RTDGRJJFOHXGJX-UHFFFAOYSA-N 1 0 365.433 2.493 20 30 FEEDRO N#Cc1c2c(sc1NC(=O)CC[NH2+][C@H]1CCCC[C@@H]1C(N)=O)CCC2 ZINC000299235325 553534522 /nfs/dbraw/zinc/53/45/22/553534522.db2.gz IUSKWUZUCOPOQU-JSGCOSHPSA-N 1 0 360.483 2.071 20 30 FEEDRO C[C@H](CNC(=O)C(=O)Nc1scc(C(C)(C)C)c1C#N)[NH+]1CCCC1 ZINC000555822358 674377699 /nfs/dbraw/zinc/37/76/99/674377699.db2.gz VSLNFXNUKQDPGU-GFCCVEGCSA-N 1 0 362.499 2.456 20 30 FEEDRO C[C@@H]1CCCC[N@@H+]1CCCCNc1ccc(S(N)(=O)=O)cc1C#N ZINC000301357867 553645136 /nfs/dbraw/zinc/64/51/36/553645136.db2.gz LAIWQAYTRASIDL-CQSZACIVSA-N 1 0 350.488 2.272 20 30 FEEDRO Cc1cc(NC(=O)N2CCC(OCC[NH+]3CCCC3)CC2)ncc1C#N ZINC000603120355 553712473 /nfs/dbraw/zinc/71/24/73/553712473.db2.gz OSDIQIKAVIZFFM-UHFFFAOYSA-N 1 0 357.458 2.370 20 30 FEEDRO C=CC[C@@H](CO)CNC(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000505379596 561670236 /nfs/dbraw/zinc/67/02/36/561670236.db2.gz LSOMKWUDSVMSLW-QGZVFWFLSA-N 1 0 361.486 2.143 20 30 FEEDRO CCCC[N@H+](CCC(=O)Nc1sccc1C#N)[C@H]1CCS(=O)(=O)C1 ZINC000302813919 553734350 /nfs/dbraw/zinc/73/43/50/553734350.db2.gz LUCARZALRNQMEC-AWEZNQCLSA-N 1 0 369.512 2.238 20 30 FEEDRO Cc1ncc(S(=O)(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1C#N ZINC000312051006 553755982 /nfs/dbraw/zinc/75/59/82/553755982.db2.gz CCYFNOKUCOWZTL-UHFFFAOYSA-N 1 0 370.478 2.205 20 30 FEEDRO CC(C)[C@H](C(=O)Nc1ccc(N2CC[NH+](C)CC2)cn1)N1CCCC1=O ZINC000328670002 553805470 /nfs/dbraw/zinc/80/54/70/553805470.db2.gz FMCVDHLVHJYHFM-GOSISDBHSA-N 1 0 359.474 2.068 20 30 FEEDRO CCn1ncc2cc(C(=O)NC[C@H](C)N3CC[NH+](CC)CC3)c(C)nc21 ZINC000328732503 553814171 /nfs/dbraw/zinc/81/41/71/553814171.db2.gz XMVRNPIJATZUJB-AWEZNQCLSA-N 1 0 358.490 2.090 20 30 FEEDRO O=C(C[N@H+]1CCC[C@@H](O)CC1)NC1CCN(C(=O)C2CCCCC2)CC1 ZINC000328811526 553826283 /nfs/dbraw/zinc/82/62/83/553826283.db2.gz MTRITDQBZVZEGP-GOSISDBHSA-N 1 0 365.518 2.361 20 30 FEEDRO O=C(C[C@H]1CCS(=O)(=O)C1)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000328815703 553826593 /nfs/dbraw/zinc/82/65/93/553826593.db2.gz GKCKXKWQTXKSOO-IAGOWNOFSA-N 1 0 350.484 2.432 20 30 FEEDRO CCS(=O)(=O)N1CCC[C@H](C(=O)NC[C@@H]2CCCn3cc(C)nc32)C1 ZINC000328826099 553828444 /nfs/dbraw/zinc/82/84/44/553828444.db2.gz QDGKXIPTRRTNPV-GJZGRUSLSA-N 1 0 368.503 2.087 20 30 FEEDRO CN1CCO[C@H]2CCN(C(=O)Nc3nc4c(s3)CCCCC4)C[C@@H]21 ZINC000328827523 553828988 /nfs/dbraw/zinc/82/89/88/553828988.db2.gz ILYNGEDTDVEDMY-KBPBESRZSA-N 1 0 350.488 2.362 20 30 FEEDRO C[C@H](C(=O)NC(=O)NC1CCCCC1)[N@@H+]1CCC[C@@H]1[C@@H]1COCC[C@@H]1O ZINC000328830197 553829697 /nfs/dbraw/zinc/82/96/97/553829697.db2.gz RALAELKEMZXEDH-XBVQOTNRSA-N 1 0 367.490 2.440 20 30 FEEDRO C[C@H](C(=O)NC(=O)NC1CCCCC1)[N@@H+]1CCC[C@@H]1[C@@H]1COCC[C@H]1O ZINC000328830198 553829749 /nfs/dbraw/zinc/82/97/49/553829749.db2.gz RALAELKEMZXEDH-XLNGHYISSA-N 1 0 367.490 2.440 20 30 FEEDRO COCc1ncsc1C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000328842872 553831116 /nfs/dbraw/zinc/83/11/16/553831116.db2.gz WBFAAGKMYJMOCT-HUUCEWRRSA-N 1 0 353.488 2.362 20 30 FEEDRO O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)N1CCC[C@@H]1[C@@H]1CCCO1 ZINC000328867907 553835963 /nfs/dbraw/zinc/83/59/63/553835963.db2.gz HCUNKKMVLBJTBN-JQHSSLGASA-N 1 0 351.491 2.045 20 30 FEEDRO O=C(Nc1ccc(F)cc1)N[C@@H]1CCN(C(=O)[C@@H]2CCn3cncc3C2)C1 ZINC000328897661 553840678 /nfs/dbraw/zinc/84/06/78/553840678.db2.gz CUONTKFGNAGRJT-CZUORRHYSA-N 1 0 371.416 2.212 20 30 FEEDRO C[C@H]1CN(CC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)C[C@@H]1[NH+](C)C ZINC000328906035 553842687 /nfs/dbraw/zinc/84/26/87/553842687.db2.gz KKYIEEZFBFCFEP-LPHOPBHVSA-N 1 0 372.513 2.395 20 30 FEEDRO CC(C)(C)[C@@H]1C[C@H](NC(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CCO1 ZINC000328909346 553843096 /nfs/dbraw/zinc/84/30/96/553843096.db2.gz DQZZCCDHXQRATG-BDXSIMOUSA-N 1 0 367.534 2.462 20 30 FEEDRO CN1CCOC[C@H]1C(=O)N[C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000328946504 553850911 /nfs/dbraw/zinc/85/09/11/553850911.db2.gz JYWAVFTUFAHFFA-IRXDYDNUSA-N 1 0 359.470 2.262 20 30 FEEDRO C[NH+](C)C1(CNC(=O)N2CCOC[C@@H]2[C@@H]2CCC[C@@H]2O)CCCCCC1 ZINC000328977524 553857220 /nfs/dbraw/zinc/85/72/20/553857220.db2.gz QKRAGXSZTZPKBC-KSZLIROESA-N 1 0 367.534 2.417 20 30 FEEDRO CN1CCO[C@@H]2CCN(C(=O)Nc3csc(-c4ccccn4)n3)C[C@H]21 ZINC000328978026 553857523 /nfs/dbraw/zinc/85/75/23/553857523.db2.gz QOBZCQQJDUWVSW-ZIAGYGMSSA-N 1 0 359.455 2.156 20 30 FEEDRO C[N@@H+]1C[C@H](NC(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)[C@@H](c2ccccc2)C1 ZINC000328996857 553861694 /nfs/dbraw/zinc/86/16/94/553861694.db2.gz FSLUBRLWDBTRML-KFWWJZLASA-N 1 0 369.387 2.452 20 30 FEEDRO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 ZINC000328997165 553861698 /nfs/dbraw/zinc/86/16/98/553861698.db2.gz KBXBCXPKMLLMTJ-FUHWJXTLSA-N 1 0 364.534 2.293 20 30 FEEDRO C[C@H](C[NH+]1CCCCC1)NC(=O)N1CCC[C@@H]1[C@@H]1COCC[C@]1(C)O ZINC000329066220 553874728 /nfs/dbraw/zinc/87/47/28/553874728.db2.gz WMHIYEARLXDDMZ-NTDBWNAOSA-N 1 0 353.507 2.027 20 30 FEEDRO CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)NC2CCC(NC(C)=O)CC2)C1 ZINC000329152261 553890273 /nfs/dbraw/zinc/89/02/73/553890273.db2.gz AOKHNRVRWKBCIG-FOIPXRHGSA-N 1 0 366.506 2.373 20 30 FEEDRO CN1CC[C@H]([NH+]2CCC(NC(=O)Cc3cc(F)ccc3F)CC2)C1=O ZINC000329177623 553896176 /nfs/dbraw/zinc/89/61/76/553896176.db2.gz MXLXKFBWKDYJHQ-INIZCTEOSA-N 1 0 351.397 2.159 20 30 FEEDRO CN1CC[C@H]([NH+]2CCC(NC(=O)Cc3ccc4c(c3)CCC4)CC2)C1=O ZINC000329179715 553896689 /nfs/dbraw/zinc/89/66/89/553896689.db2.gz NNUHOESPSPWXBS-IBGZPJMESA-N 1 0 355.482 2.369 20 30 FEEDRO Cc1noc(C)c1C(C)(C)C(=O)NC1CC[NH+]([C@H]2CCN(C)C2=O)CC1 ZINC000329198733 553900575 /nfs/dbraw/zinc/90/05/75/553900575.db2.gz VRKSHVPQXBSRLC-HNNXBMFYSA-N 1 0 362.474 2.221 20 30 FEEDRO CO[C@@H]1[C@H](C)[C@@H](NC(=O)NCC2([NH+]3CCCC3)CCOCC2)C1(C)C ZINC000329218078 553904836 /nfs/dbraw/zinc/90/48/36/553904836.db2.gz RHGDNTBJSJIQKN-BZUAXINKSA-N 1 0 353.507 2.195 20 30 FEEDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)C3CCN(C(=O)Nc4ccccc4)CC3)[C@H]2C1 ZINC000329242003 553909536 /nfs/dbraw/zinc/90/95/36/553909536.db2.gz AAEHXXAUPFOYNR-APWZRJJASA-N 1 0 370.497 2.497 20 30 FEEDRO C[C@H](NC(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1)c1cncc(F)c1 ZINC000329273784 553914988 /nfs/dbraw/zinc/91/49/88/553914988.db2.gz AVICRINDUMICQZ-MAUKXSAKSA-N 1 0 363.481 2.298 20 30 FEEDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CC[C@@H](C(=O)N3CCCC3)C2)C1 ZINC000329275214 553915813 /nfs/dbraw/zinc/91/58/13/553915813.db2.gz KSIVZVQYGQMCFD-IAGOWNOFSA-N 1 0 364.534 2.355 20 30 FEEDRO CC(C)(C)c1cn2c(n1)CC[C@H](NC(=O)N1CCN(CC(F)F)CC1)C2 ZINC000329299258 553920531 /nfs/dbraw/zinc/92/05/31/553920531.db2.gz UTURYPOZMVZFOR-ZDUSSCGKSA-N 1 0 369.460 2.292 20 30 FEEDRO CC[N@@H+]1CCC[C@@H](CNC(=O)NC2CCN(c3nccs3)CC2)C1 ZINC000329311556 553923336 /nfs/dbraw/zinc/92/33/36/553923336.db2.gz RESIOZAHHSMMLQ-AWEZNQCLSA-N 1 0 351.520 2.347 20 30 FEEDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@@H]1[C@@H]1C[C@H](C)CC[C@@H]1O ZINC000329325898 553926003 /nfs/dbraw/zinc/92/60/03/553926003.db2.gz WHVXLKZPEWNABO-FQBWVUSXSA-N 1 0 367.534 2.273 20 30 FEEDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCC[C@@H]1[C@@H]1COCC[C@H]1O ZINC000329351331 553929995 /nfs/dbraw/zinc/92/99/95/553929995.db2.gz XDEVMPOQULRDKU-FCGDIQPGSA-N 1 0 367.534 2.273 20 30 FEEDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)N1CCN(c2nc(C)cc(C)n2)CC1 ZINC000329362046 553932727 /nfs/dbraw/zinc/93/27/27/553932727.db2.gz CSUSBXOZXSRFGL-KRWDZBQOSA-N 1 0 360.506 2.004 20 30 FEEDRO CC(C)c1noc(-c2ccccc2C(=O)NC[C@@H]2C[N@H+](C)CCN2C)n1 ZINC000329364329 553933247 /nfs/dbraw/zinc/93/32/47/553933247.db2.gz JNHHRAMZHDQTGR-CQSZACIVSA-N 1 0 357.458 2.410 20 30 FEEDRO CC[C@H](C)[C@H](NC(=O)N1CCCC1)C(=O)N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000329369244 553933851 /nfs/dbraw/zinc/93/38/51/553933851.db2.gz JKXNKILWBUCVFC-FJIDUMEYSA-N 1 0 364.534 2.496 20 30 FEEDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)N[C@H]1CC(=O)N(C2CCCCC2)C1 ZINC000329375565 553934066 /nfs/dbraw/zinc/93/40/66/553934066.db2.gz KWUGDKUNYIRCIT-SOLBZPMBSA-N 1 0 362.518 2.393 20 30 FEEDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2CCOC[C@@H]2[C@H]2CCCO2)C1 ZINC000329416209 553942516 /nfs/dbraw/zinc/94/25/16/553942516.db2.gz FQQNLJFDDXLHIE-KZNAEPCWSA-N 1 0 353.507 2.148 20 30 FEEDRO CCO[C@@H]1C[C@H](NC(=O)N(C)[C@@H]2CC[N@H+](CC)C[C@@H]2C)[C@]12CCCO2 ZINC000329524923 553962195 /nfs/dbraw/zinc/96/21/95/553962195.db2.gz QQYYIPXGBFPVAQ-HTBDUDNFSA-N 1 0 353.507 2.289 20 30 FEEDRO CN1CC[N@H+](C)C[C@H]1CNC(=O)Nc1nc2c(s1)CCCC2(C)C ZINC000329590964 553973008 /nfs/dbraw/zinc/97/30/08/553973008.db2.gz TZMCUONDGTVDQN-GFCCVEGCSA-N 1 0 351.520 2.329 20 30 FEEDRO O=C(NC[C@H]1CCCCS1(=O)=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000329629037 553979500 /nfs/dbraw/zinc/97/95/00/553979500.db2.gz HLGGMLCTMIQTLY-QGZVFWFLSA-N 1 0 371.547 2.254 20 30 FEEDRO Cc1cccc2c1OC[C@@H](NC(=O)N1CC[NH+](CC3CCOCC3)CC1)C2 ZINC000329628942 553979676 /nfs/dbraw/zinc/97/96/76/553979676.db2.gz QBYFZEJDMQDIRG-IBGZPJMESA-N 1 0 373.497 2.257 20 30 FEEDRO CC(C)(C)[C@@H]1NC(=O)CC[C@H]1NC(=O)N1CCC[C@H]1CN1CCOCC1 ZINC000329645488 553981286 /nfs/dbraw/zinc/98/12/86/553981286.db2.gz IQXAKHBJDDYWJF-ZMSDIMECSA-N 1 0 366.506 2.231 20 30 FEEDRO C[C@H](c1nccs1)N1CCN(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000329802841 554008682 /nfs/dbraw/zinc/00/86/82/554008682.db2.gz KSMORKVYSOQSRK-BZUAXINKSA-N 1 0 363.531 2.363 20 30 FEEDRO O=C(N[C@@H]1CC(=O)N(c2ccccc2F)C1)N1CC[NH+](C2CCC2)CC1 ZINC000329823396 554012878 /nfs/dbraw/zinc/01/28/78/554012878.db2.gz QECMYPNJJNFZSC-CQSZACIVSA-N 1 0 360.433 2.015 20 30 FEEDRO COCC[C@@H]1CCCCN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C1 ZINC000329827548 554013511 /nfs/dbraw/zinc/01/35/11/554013511.db2.gz CUHLCPMRCRJBHT-UHOSZYNNSA-N 1 0 367.534 2.417 20 30 FEEDRO Cc1ccc(CNC(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)c(-n2cc(Cl)cn2)n1 ZINC000329837531 554015575 /nfs/dbraw/zinc/01/55/75/554015575.db2.gz MWGMFGFQADZGJK-OAHLLOKOSA-N 1 0 374.876 2.469 20 30 FEEDRO Cc1ncsc1CNC(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000329850115 554018496 /nfs/dbraw/zinc/01/84/96/554018496.db2.gz QDQKKQCLIRBDBT-UHFFFAOYSA-N 1 0 365.547 2.215 20 30 FEEDRO CN1CC[NH+](CCC(C)(C)NC(=O)CN2CCc3ccccc3C2=O)CC1 ZINC000329863049 554020931 /nfs/dbraw/zinc/02/09/31/554020931.db2.gz ROLZCFCPZBYQIB-UHFFFAOYSA-N 1 0 372.513 2.058 20 30 FEEDRO CCN1C(=O)CC[C@@H](C(=O)N[C@H]2CCC[N@H+](CC)C2)[C@H]1c1cnn(C)c1 ZINC000329873083 554023040 /nfs/dbraw/zinc/02/30/40/554023040.db2.gz DMPKYIDBFAQTNC-LZLYRXPVSA-N 1 0 361.490 2.161 20 30 FEEDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1cnn(C)c1C ZINC000329918231 554031611 /nfs/dbraw/zinc/03/16/11/554031611.db2.gz ZRYDIMLODUMUPF-RKVPGOIHSA-N 1 0 361.490 2.079 20 30 FEEDRO CCN1CCN(C(=O)C(=O)Nc2ccccc2SC[C@@H](C)C#N)[C@H](C)C1 ZINC000507380564 561727123 /nfs/dbraw/zinc/72/71/23/561727123.db2.gz LBMAXUOKNLYSQJ-LSDHHAIUSA-N 1 0 374.510 2.429 20 30 FEEDRO NC(=O)NC[C@@H]1CCCN(C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000329983854 554043780 /nfs/dbraw/zinc/04/37/80/554043780.db2.gz PYJRAVUIJGXSNL-ROUUACIJSA-N 1 0 373.501 2.217 20 30 FEEDRO CC[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCN(Cc3ccc(C)cc3)C2=O)C1 ZINC000330076149 554060245 /nfs/dbraw/zinc/06/02/45/554060245.db2.gz DOKJVPHWNIAATN-RTBURBONSA-N 1 0 372.513 2.331 20 30 FEEDRO Cc1[nH]c2ccnn2c(=O)c1CC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000330084801 554061592 /nfs/dbraw/zinc/06/15/92/554061592.db2.gz REISKLHFNROIAI-UHFFFAOYSA-N 1 0 357.458 2.237 20 30 FEEDRO Cn1cc([C@@H]2[C@H](C(=O)N[C@@H]3CC[N@@H+](C4CC4)C3)CC(=O)N2C(C)(C)C)cn1 ZINC000330105512 554065109 /nfs/dbraw/zinc/06/51/09/554065109.db2.gz JNULCPRMWRRMMV-QGPMSJSTSA-N 1 0 373.501 2.301 20 30 FEEDRO O=C(NC1CC[NH+](C2CCCCC2)CC1)N1CC[C@@H](N2CCCC2=O)C1 ZINC000330109826 554066233 /nfs/dbraw/zinc/06/62/33/554066233.db2.gz PSOSKGCMKXVUSM-GOSISDBHSA-N 1 0 362.518 2.394 20 30 FEEDRO Cn1cc([C@@H]2CSCCN2CC(=O)NC2CC[NH+](C3CC3)CC2)cn1 ZINC000330123359 554069027 /nfs/dbraw/zinc/06/90/27/554069027.db2.gz KWARKTXFXDZCLN-KRWDZBQOSA-N 1 0 363.531 2.093 20 30 FEEDRO Cc1nc(N2CCN(C([O-])=[NH+][C@@H]3CCn4ccnc4C3)CC2)sc1C ZINC000330198699 554083785 /nfs/dbraw/zinc/08/37/85/554083785.db2.gz UKQNPONYHOLZGF-CQSZACIVSA-N 1 0 360.487 2.007 20 30 FEEDRO C[NH+](C)CCC1CCN(C(=O)N[C@@H]2CCOC3(CCOCC3)C2)CC1 ZINC000330273526 554097311 /nfs/dbraw/zinc/09/73/11/554097311.db2.gz ZIOTWJBLHXPSSQ-QGZVFWFLSA-N 1 0 353.507 2.292 20 30 FEEDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)N[C@H]1CCO[C@@H]1c1c(C)nn(C)c1C ZINC000330333242 554106950 /nfs/dbraw/zinc/10/69/50/554106950.db2.gz PQHKAYZHJUBAQL-BQFCYCMXSA-N 1 0 363.506 2.245 20 30 FEEDRO CCN(C[C@H](C)C#N)S(=O)(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000330378697 554113481 /nfs/dbraw/zinc/11/34/81/554113481.db2.gz ROVOLGHFOFBAGD-BZUAXINKSA-N 1 0 358.552 2.059 20 30 FEEDRO CN(CC[NH+]1CCCC1)S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000330404281 554117167 /nfs/dbraw/zinc/11/71/67/554117167.db2.gz VUZSNVWFWGCDNE-UHFFFAOYSA-N 1 0 361.389 2.293 20 30 FEEDRO CC1CC[NH+](CCNC(=O)c2cc(Cl)sc2S(N)(=O)=O)CC1 ZINC000330440407 554122181 /nfs/dbraw/zinc/12/21/81/554122181.db2.gz DEAWCRDCENMXOF-UHFFFAOYSA-N 1 0 365.908 2.085 20 30 FEEDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N2CCC[C@@H](CNC(N)=O)C2)C1 ZINC000330460022 554124252 /nfs/dbraw/zinc/12/42/52/554124252.db2.gz JPVWCWVSAJXGLC-XHSDSOJGSA-N 1 0 353.511 2.063 20 30 FEEDRO CCOc1cc(NC(=O)N2CC[NH+](CC(C)(C)O)CC2)ccc1OC ZINC000330620575 554146401 /nfs/dbraw/zinc/14/64/01/554146401.db2.gz ABZRDFSOTNXKIQ-UHFFFAOYSA-N 1 0 351.447 2.028 20 30 FEEDRO CC(=O)N1CCC(CNC(=O)NC[C@]2([NH+](C)C)CCC[C@H](C)C2)CC1 ZINC000330635543 554149137 /nfs/dbraw/zinc/14/91/37/554149137.db2.gz MSIBNAKKZSRTTO-KXBFYZLASA-N 1 0 352.523 2.259 20 30 FEEDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(Cl)sc1S(N)(=O)=O ZINC000330675625 554155629 /nfs/dbraw/zinc/15/56/29/554155629.db2.gz SKPSOQXKIDDSOS-VIFPVBQESA-N 1 0 365.908 2.228 20 30 FEEDRO CCCS(=O)(=O)Nc1cccc(NC(=O)N2CC[N@H+](C)[C@H](C)[C@H]2C)c1 ZINC000330708583 554160771 /nfs/dbraw/zinc/16/07/71/554160771.db2.gz NTACTEPKVWNQHI-ZIAGYGMSSA-N 1 0 368.503 2.408 20 30 FEEDRO COC(=O)c1ccc(NC(=O)N2CC[NH+](CC(C)(C)O)CC2)cc1Cl ZINC000330830043 554176955 /nfs/dbraw/zinc/17/69/55/554176955.db2.gz QGYUBMQAGTVSHU-UHFFFAOYSA-N 1 0 369.849 2.061 20 30 FEEDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)Nc1cccc(CS(C)(=O)=O)c1 ZINC000330898562 554185066 /nfs/dbraw/zinc/18/50/66/554185066.db2.gz UZHANAMUAWHXDB-AWEZNQCLSA-N 1 0 367.515 2.439 20 30 FEEDRO Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000331007473 554200131 /nfs/dbraw/zinc/20/01/31/554200131.db2.gz TZGLMELWPMLYAX-AWEZNQCLSA-N 1 0 365.522 2.310 20 30 FEEDRO CC[C@@H](C)n1ncc(NC(=O)N2CC[N@H+](C[C@H](C)O)[C@H](CC)C2)c1C ZINC000331132717 554218772 /nfs/dbraw/zinc/21/87/72/554218772.db2.gz PHPTZCAYSAVYFP-IJEWVQPXSA-N 1 0 351.495 2.485 20 30 FEEDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@H]2CC(=O)N(C(C)(C)C)C2)C1 ZINC000331189217 554228079 /nfs/dbraw/zinc/22/80/79/554228079.db2.gz OVCAHIHGKMGAFO-CABCVRRESA-N 1 0 352.523 2.400 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)CNC(=O)CC1CCCC1 ZINC000508735018 561770879 /nfs/dbraw/zinc/77/08/79/561770879.db2.gz CPXFFVXJDAFLFR-UHFFFAOYSA-N 1 0 370.497 2.145 20 30 FEEDRO C=CCn1c(-c2ccc[nH]2)nnc1N1CC[N@H+](CCOC)[C@H](CCC)C1 ZINC000508746058 561771511 /nfs/dbraw/zinc/77/15/11/561771511.db2.gz JEFUKACBMKUVEB-MRXNPFEDSA-N 1 0 358.490 2.396 20 30 FEEDRO CC[NH+](CC)[C@H]1CCN(C(=O)[C@@H]2CCCN(c3nc(C)ccc3C#N)C2)C1 ZINC000331516779 554278556 /nfs/dbraw/zinc/27/85/56/554278556.db2.gz DLYVNKRSALGPEV-MOPGFXCFSA-N 1 0 369.513 2.421 20 30 FEEDRO C[C@H](CC#N)N(C)S(=O)(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000509221235 561790738 /nfs/dbraw/zinc/79/07/38/561790738.db2.gz XQVSIWYNUULIIK-MRXNPFEDSA-N 1 0 356.536 2.053 20 30 FEEDRO Cc1ccccc1[C@H]([C@@H](C)NS(=O)(=O)N(C)[C@@H](C)CC#N)[NH+](C)C ZINC000509252470 561792414 /nfs/dbraw/zinc/79/24/14/561792414.db2.gz CLCLPBJOCSMEJB-UXLLHSPISA-N 1 0 352.504 2.055 20 30 FEEDRO CC(C)(C)c1csc(NC(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1C#N ZINC000331837074 554327709 /nfs/dbraw/zinc/32/77/09/554327709.db2.gz SEKJCCQJFFTBDG-WHOFXGATSA-N 1 0 374.510 2.442 20 30 FEEDRO N#CCN1CCC(CNC(=O)C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000331975988 554356024 /nfs/dbraw/zinc/35/60/24/554356024.db2.gz MPMADCXDCVTDMG-UHFFFAOYSA-N 1 0 354.498 2.250 20 30 FEEDRO C[C@H](Oc1ccccc1C#N)C(=O)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000331998120 554360292 /nfs/dbraw/zinc/36/02/92/554360292.db2.gz BLFJYDWXNVSKEU-CVEARBPZSA-N 1 0 357.454 2.037 20 30 FEEDRO C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)CCC(=O)N(CCC#N)c1ccccc1 ZINC000509657103 561809420 /nfs/dbraw/zinc/80/94/20/561809420.db2.gz IJFSCRHJDIJESI-IRXDYDNUSA-N 1 0 356.470 2.264 20 30 FEEDRO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000509737819 561812431 /nfs/dbraw/zinc/81/24/31/561812431.db2.gz LZWBIDVCAWOTGI-QZTJIDSGSA-N 1 0 354.454 2.044 20 30 FEEDRO C[NH+](C)CC1(C(=O)N2CCN(c3cc(C#N)ccn3)CC2)CCCCC1 ZINC000332404467 554440400 /nfs/dbraw/zinc/44/04/00/554440400.db2.gz WPKZFHFXKXEYLT-UHFFFAOYSA-N 1 0 355.486 2.114 20 30 FEEDRO C[C@@H]1C[C@H](NC(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)CC[NH2+]1 ZINC000332530101 554464570 /nfs/dbraw/zinc/46/45/70/554464570.db2.gz GUTSSZHREXKTOA-UKRRQHHQSA-N 1 0 361.877 2.184 20 30 FEEDRO N#Cc1ccc(N2CCN(C(=O)NC[C@H]3CCC[NH2+]C3)CC2)c(Cl)c1 ZINC000333748692 554639027 /nfs/dbraw/zinc/63/90/27/554639027.db2.gz YREUNHABGVCRCK-HNNXBMFYSA-N 1 0 361.877 2.043 20 30 FEEDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC(F)(C#N)CC1 ZINC000510906223 561850167 /nfs/dbraw/zinc/85/01/67/561850167.db2.gz WSJAKONNLFOOST-UHFFFAOYSA-N 1 0 350.350 2.260 20 30 FEEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+](CCO)CC2CC2)c1C#N ZINC000510933329 561851312 /nfs/dbraw/zinc/85/13/12/561851312.db2.gz CONWFXNSRAEQEI-UHFFFAOYSA-N 1 0 370.453 2.261 20 30 FEEDRO CCOC(=O)C(C)(C)C1CC[NH+](CC(=O)N[C@](C)(C#N)C(C)C)CC1 ZINC000510949304 561851844 /nfs/dbraw/zinc/85/18/44/561851844.db2.gz INDPXOCILZFFFO-LJQANCHMSA-N 1 0 351.491 2.342 20 30 FEEDRO C=CCOC[C@@H]1NC(=O)N([C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)C1=O ZINC000348582656 554689904 /nfs/dbraw/zinc/68/99/04/554689904.db2.gz FIMBHIGQDCUEJD-RYQLBKOJSA-N 1 0 357.454 2.020 20 30 FEEDRO Cc1cc(-c2nc(-c3cc(N4CC[NH+](C)CC4)ccn3)no2)ncc1C#N ZINC000351213213 554844379 /nfs/dbraw/zinc/84/43/79/554844379.db2.gz FCHCLSNATVZDDD-UHFFFAOYSA-N 1 0 361.409 2.126 20 30 FEEDRO N#Cc1ccc(OCCC[N@H+]2CCCN(C(=O)[C@H]3CCCO3)CC2)cc1 ZINC000360192454 554866536 /nfs/dbraw/zinc/86/65/36/554866536.db2.gz GSQWGYDNVJAREY-LJQANCHMSA-N 1 0 357.454 2.040 20 30 FEEDRO Cn1cc(C[N@@H+]2CC[C@H](NC(=O)C3CCC3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000360675849 554884644 /nfs/dbraw/zinc/88/46/44/554884644.db2.gz YHERPJNOGFRHMV-IBGZPJMESA-N 1 0 363.465 2.449 20 30 FEEDRO Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N[C@H](C)C1CC[NH+](C)CC1 ZINC000613164585 554895053 /nfs/dbraw/zinc/89/50/53/554895053.db2.gz XTOVSWBKTBXNHD-CQSZACIVSA-N 1 0 367.457 2.299 20 30 FEEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000361285610 554914637 /nfs/dbraw/zinc/91/46/37/554914637.db2.gz AQMGDKMMPNFDOT-ROUUACIJSA-N 1 0 374.441 2.156 20 30 FEEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(-n2cc(C)cn2)c(F)c1 ZINC000361439235 554921554 /nfs/dbraw/zinc/92/15/54/554921554.db2.gz CBWOBFFEBUIZRD-KGLIPLIRSA-N 1 0 373.432 2.371 20 30 FEEDRO COc1cc(C#N)ccc1OCCCC(=O)N1CC[C@H]2CC[N@H+](C)[C@@H]2C1 ZINC000361904447 554937526 /nfs/dbraw/zinc/93/75/26/554937526.db2.gz ACDFCIWXIAMFEG-IAGOWNOFSA-N 1 0 357.454 2.278 20 30 FEEDRO N#Cc1cccc(NC(=O)CC[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)c1 ZINC000511630231 561875278 /nfs/dbraw/zinc/87/52/78/561875278.db2.gz RZAMGLQIGXBBMQ-UKRRQHHQSA-N 1 0 355.360 2.380 20 30 FEEDRO C=CCN=c1[nH]cc(C(=O)N2CCC3(C[C@H]3C[N@@H+](C)C3CC3)CC2)s1 ZINC000362380202 554967687 /nfs/dbraw/zinc/96/76/87/554967687.db2.gz LWPKVDVYZFFCNW-AWEZNQCLSA-N 1 0 360.527 3.078 20 30 FEEDRO C[C@@H]1CCC[N@H+](CCNC(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)C1 ZINC000362710092 554983191 /nfs/dbraw/zinc/98/31/91/554983191.db2.gz HXHJZUFAOGDMTB-APWZRJJASA-N 1 0 356.470 2.373 20 30 FEEDRO CC(C)C[N@@H+]1CCCN(C(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000363000694 555007569 /nfs/dbraw/zinc/00/75/69/555007569.db2.gz PKKNQBORHRMMSL-UHFFFAOYSA-N 1 0 362.861 2.340 20 30 FEEDRO CCc1nc([C@H]2CCC[N@H+](C[C@@H](O)COc3ccc(C#N)cc3)C2)no1 ZINC000363103147 555030935 /nfs/dbraw/zinc/03/09/35/555030935.db2.gz CSSLOMSFSYBGNO-JKSUJKDBSA-N 1 0 356.426 2.123 20 30 FEEDRO N#Cc1ccc(OCCC[NH+]2CCC(CC(=O)N3CCOCC3)CC2)cc1 ZINC000363161299 555043093 /nfs/dbraw/zinc/04/30/93/555043093.db2.gz SNHXSMOHYKSASC-UHFFFAOYSA-N 1 0 371.481 2.288 20 30 FEEDRO CN(C(=O)COc1ccccc1C#N)C1CC[NH+](C2CCOCC2)CC1 ZINC000363197070 555051112 /nfs/dbraw/zinc/05/11/12/555051112.db2.gz GUSCODDTACZKPG-UHFFFAOYSA-N 1 0 357.454 2.039 20 30 FEEDRO Cc1ccc(C#N)c(N2CCC[C@H](C(=O)NCC[NH+]3CCCCC3)C2)n1 ZINC000363327259 555078797 /nfs/dbraw/zinc/07/87/97/555078797.db2.gz LWNUGZHMSFPKBM-SFHVURJKSA-N 1 0 355.486 2.080 20 30 FEEDRO C[N@H+](Cc1ccccc1)[C@H]1CCN(CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000363425715 555102771 /nfs/dbraw/zinc/10/27/71/555102771.db2.gz GIEWGFVWAYFDBU-NRFANRHFSA-N 1 0 362.477 2.381 20 30 FEEDRO Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N[C@@H](C)C[NH+]3CCCCC3)C2)n1 ZINC000363426167 555102974 /nfs/dbraw/zinc/10/29/74/555102974.db2.gz LHBCOWBWPUVEMF-HKUYNNGSSA-N 1 0 369.513 2.469 20 30 FEEDRO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1sccc1C#N)c1cccc(F)c1 ZINC000511926456 561885697 /nfs/dbraw/zinc/88/56/97/561885697.db2.gz QSYOCCBYMWXTJX-CQSZACIVSA-N 1 0 360.414 2.116 20 30 FEEDRO C=CCNC(=O)c1ccc(N[C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@H]2C)nc1 ZINC000363584797 555141705 /nfs/dbraw/zinc/14/17/05/555141705.db2.gz CMMVXQHXPMUREO-BPQIPLTHSA-N 1 0 358.486 2.299 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)[C@H]2CC(=O)N(c3cc(F)cc(F)c3)C2)CC1 ZINC000364193046 555267013 /nfs/dbraw/zinc/26/70/13/555267013.db2.gz VGIZNSQQKLGPHU-ZDUSSCGKSA-N 1 0 363.408 2.084 20 30 FEEDRO CN(C(=O)C[N@H+](C)C1CCN(c2ncccn2)CC1)C1(C#N)CCCCC1 ZINC000364373224 555301222 /nfs/dbraw/zinc/30/12/22/555301222.db2.gz GMKUXMQSANMUKE-UHFFFAOYSA-N 1 0 370.501 2.062 20 30 FEEDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CCCN(c2ccc(C#N)cc2)CC1 ZINC000364429233 555312282 /nfs/dbraw/zinc/31/22/82/555312282.db2.gz XJJCCRSOVHQYAE-UZLBHIALSA-N 1 0 367.497 2.263 20 30 FEEDRO CO/N=C/c1ccc(C(=O)N[C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@@H]2C)cc1 ZINC000364544616 555333900 /nfs/dbraw/zinc/33/39/00/555333900.db2.gz LHHYROFJVRJYSL-DDTNEUBSSA-N 1 0 359.470 2.286 20 30 FEEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)COCc1cccnc1 ZINC000512494238 561907497 /nfs/dbraw/zinc/90/74/97/561907497.db2.gz OCLCUMBXGSIBAW-UHFFFAOYSA-N 1 0 352.438 2.060 20 30 FEEDRO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCC[C@]2(CNC(=O)O2)C1 ZINC000364794738 555405297 /nfs/dbraw/zinc/40/52/97/555405297.db2.gz WYBNFFCGYYOAHO-DIFFPNOSSA-N 1 0 362.817 2.113 20 30 FEEDRO C=CCNC(=O)NC(=O)C[NH2+][C@H](c1ccc(Cl)cc1)[C@@H]1CCOC1 ZINC000364872778 555421659 /nfs/dbraw/zinc/42/16/59/555421659.db2.gz NNXVWFNOEFUXHL-CZUORRHYSA-N 1 0 351.834 2.019 20 30 FEEDRO N#Cc1ccc(CN2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c(Br)c1 ZINC000364880462 555423583 /nfs/dbraw/zinc/42/35/83/555423583.db2.gz LQVNSSZKGSPKND-IRXDYDNUSA-N 1 0 364.287 2.352 20 30 FEEDRO Cc1cc(C#N)ccc1S(=O)(=O)N1C[C@@H]([NH3+])[C@@H](c2ccc(F)cc2)C1 ZINC000364913815 555436139 /nfs/dbraw/zinc/43/61/39/555436139.db2.gz MMPGKQBSFOTPRC-IAGOWNOFSA-N 1 0 359.426 2.121 20 30 FEEDRO C=CCN(C(=O)NCCC(=O)NC(C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000364919551 555437537 /nfs/dbraw/zinc/43/75/37/555437537.db2.gz RYQFAWWTUXUOLW-LJQANCHMSA-N 1 0 372.513 2.373 20 30 FEEDRO C=CC[C@]1(C(=O)NC[C@@H]2CC[N@@H+](C)C2)CCCN1C(=O)OC(C)(C)C ZINC000364930537 555440595 /nfs/dbraw/zinc/44/05/95/555440595.db2.gz NUCGEMXKPXZKDD-HNAYVOBHSA-N 1 0 351.491 2.400 20 30 FEEDRO CCCN(CCC[NH+](C)C)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 ZINC000364990453 555459171 /nfs/dbraw/zinc/45/91/71/555459171.db2.gz IDUAMXTTXNBTSY-UHFFFAOYSA-N 1 0 372.517 2.295 20 30 FEEDRO C=CCOc1ccc(C[NH2+]C[C@@H]2CCCC[C@H]2NS(C)(=O)=O)cc1 ZINC000512861141 561918132 /nfs/dbraw/zinc/91/81/32/561918132.db2.gz NGLVUHOKJBFKTJ-FUHWJXTLSA-N 1 0 352.500 2.449 20 30 FEEDRO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@]2(CCC[C@@H]2NC(=O)OC(C)(C)C)C1 ZINC000365229511 555517031 /nfs/dbraw/zinc/51/70/31/555517031.db2.gz QNTXEHIFVGCWEV-DOXZYTNZSA-N 1 0 351.491 2.446 20 30 FEEDRO C=CCOc1ccc(C[NH2+]C[C@H]2CCCCN2S(C)(=O)=O)cc1OC ZINC000513030895 561923132 /nfs/dbraw/zinc/92/31/32/561923132.db2.gz BFIQDVZVBBUSAH-MRXNPFEDSA-N 1 0 368.499 2.164 20 30 FEEDRO CN1CC[NH+](C2(CNC(=O)c3ccc(C#N)nc3)CCCCCC2)CC1 ZINC000365341230 555548241 /nfs/dbraw/zinc/54/82/41/555548241.db2.gz QCWDIJVLCFLFJC-UHFFFAOYSA-N 1 0 355.486 2.023 20 30 FEEDRO COc1ncccc1C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000365390443 555561527 /nfs/dbraw/zinc/56/15/27/555561527.db2.gz BNROBVPHGAGNRV-UHFFFAOYSA-N 1 0 350.422 2.378 20 30 FEEDRO Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N3CCCC[C@H]3C[NH+](C)C)C2)n1 ZINC000365755825 555660531 /nfs/dbraw/zinc/66/05/31/555660531.db2.gz ZDPJQYPTNRXLLX-OALUTQOASA-N 1 0 369.513 2.421 20 30 FEEDRO N#Cc1cc(C(=O)NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)ccc1F ZINC000513691001 561946777 /nfs/dbraw/zinc/94/67/77/561946777.db2.gz PPAIBUOHGNDCGM-HXUWFJFHSA-N 1 0 353.397 2.064 20 30 FEEDRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2C(=O)CSc1ccc(C#N)cc1 ZINC000366437866 555843537 /nfs/dbraw/zinc/84/35/37/555843537.db2.gz LUSSENYOPLNUQP-NJAFHUGGSA-N 1 0 359.495 2.360 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N2CC(C)(C)O[C@]3(CCCOC3)C2)CC1 ZINC000366581602 555882273 /nfs/dbraw/zinc/88/22/73/555882273.db2.gz ZTPFVTWYHIJKHF-LJQANCHMSA-N 1 0 351.491 2.006 20 30 FEEDRO C=CCCC[C@H](C)NC(=O)C(=O)Nc1cnn(CC[NH+]2CCCCC2)c1 ZINC000367580262 556088722 /nfs/dbraw/zinc/08/87/22/556088722.db2.gz AKLRYRSVXNYCPS-INIZCTEOSA-N 1 0 361.490 2.169 20 30 FEEDRO N#C[C@]1(C(=O)NCCCC[N@H+]2CCC[C@H]2CO)CCc2ccccc2C1 ZINC000367699567 556117748 /nfs/dbraw/zinc/11/77/48/556117748.db2.gz QYVMDKLSZQYWJF-FPOVZHCZSA-N 1 0 355.482 2.038 20 30 FEEDRO N#Cc1ccc(CS(=O)(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000367851262 556155084 /nfs/dbraw/zinc/15/50/84/556155084.db2.gz XXWBGVNIRPUUTJ-FQEVSTJZSA-N 1 0 369.490 2.500 20 30 FEEDRO C[C@@H]1C[C@H]([NH2+]C[C@H](O)COc2ccc(C#N)cc2)C(=O)N1c1ccccc1 ZINC000514933598 561987424 /nfs/dbraw/zinc/98/74/24/561987424.db2.gz UXDFFUCAUUBXON-BPAFIMBUSA-N 1 0 365.433 2.082 20 30 FEEDRO CC[C@H](CC#N)[NH2+]C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 ZINC000368136757 556227548 /nfs/dbraw/zinc/22/75/48/556227548.db2.gz XWRAFQXOILILDE-CQSZACIVSA-N 1 0 351.472 2.130 20 30 FEEDRO CC(C)(C)[NH+]1CCC(NC(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)CC1 ZINC000368304193 556273667 /nfs/dbraw/zinc/27/36/67/556273667.db2.gz KNIYJGPMLDTZMT-QGZVFWFLSA-N 1 0 371.485 2.379 20 30 FEEDRO C[N@@H+]1CC[C@H]2CCN(C(=O)CCC(=O)N(CCC#N)c3ccccc3)C[C@H]21 ZINC000368588666 556354259 /nfs/dbraw/zinc/35/42/59/556354259.db2.gz GTYOYNBGAGDOMC-PKOBYXMFSA-N 1 0 368.481 2.266 20 30 FEEDRO Cc1noc(C)c1CO[C@@H]1CC[N@H+](C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000368853075 556429797 /nfs/dbraw/zinc/42/97/97/556429797.db2.gz ICDKJLXGAUAJGA-PKOBYXMFSA-N 1 0 371.437 2.194 20 30 FEEDRO C[C@H]([NH2+][C@@H]1CCCC[C@H]1N1CCOCC1)C(=O)Nc1cccc(C#N)c1 ZINC000368949970 556456987 /nfs/dbraw/zinc/45/69/87/556456987.db2.gz KVIOUKZVWGQHKL-KFKAGJAMSA-N 1 0 356.470 2.118 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N(CCOC)[C@H]2CCCc3cccnc32)CC1 ZINC000369012254 556475924 /nfs/dbraw/zinc/47/59/24/556475924.db2.gz XGVGTPIRHDVUHX-IBGZPJMESA-N 1 0 355.482 2.279 20 30 FEEDRO N#Cc1ccccc1OC1CCC(NC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000515809278 562022450 /nfs/dbraw/zinc/02/24/50/562022450.db2.gz ZZDOOFKPYFPFPY-OQSMONGASA-N 1 0 354.454 2.109 20 30 FEEDRO CCCCCCCS(=O)(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000369105882 556506788 /nfs/dbraw/zinc/50/67/88/556506788.db2.gz BRWHBDSJFGDXSH-ROUUACIJSA-N 1 0 359.580 2.244 20 30 FEEDRO CC[NH+](CC)[C@@H](CNC(=O)N1CCN(C2CC2)[C@@H](C#N)C1)c1ccco1 ZINC000369218464 556538969 /nfs/dbraw/zinc/53/89/69/556538969.db2.gz ISKBLXXWFJEGGJ-IRXDYDNUSA-N 1 0 359.474 2.044 20 30 FEEDRO COc1ccc([C@H](CCC#N)[NH2+]C[C@@H]2CCC[C@]23NC(=O)N(C)C3=O)cc1 ZINC000369322329 556574489 /nfs/dbraw/zinc/57/44/89/556574489.db2.gz QRUHYAFLZOFPFS-KNBMTAEXSA-N 1 0 370.453 2.350 20 30 FEEDRO C[N@@H+]1CC[C@H](CNC(=O)N2CCO[C@@H](C#N)C2)[C@@H]1c1cccc(Cl)c1 ZINC000369403174 556592474 /nfs/dbraw/zinc/59/24/74/556592474.db2.gz UNMNSGRFKPLFNM-PVAVHDDUSA-N 1 0 362.861 2.267 20 30 FEEDRO N#Cc1cccnc1OC1CCC(NC(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)CC1 ZINC000516167547 562033622 /nfs/dbraw/zinc/03/36/22/562033622.db2.gz HDZPANLZXLRSCX-AQEOSJORSA-N 1 0 369.469 2.037 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000516252635 562037460 /nfs/dbraw/zinc/03/74/60/562037460.db2.gz JOYAYTZWFWGNHV-MUGJNUQGSA-N 1 0 358.482 2.109 20 30 FEEDRO C=CCn1c([C@H](C)OCCOC)nnc1N1C[C@H](C)[N@H+](CC)C[C@@H]1C ZINC000516514637 562045562 /nfs/dbraw/zinc/04/55/62/562045562.db2.gz CEXHMYAGACHDMY-JYJNAYRXSA-N 1 0 351.495 2.107 20 30 FEEDRO N#Cc1ccc(O[C@@H]2CCN(C(=O)Nc3ccc4c(c3)C[NH2+]CC4)C2)nc1 ZINC000516632846 562051792 /nfs/dbraw/zinc/05/17/92/562051792.db2.gz MEVHBWWILCMAQW-GOSISDBHSA-N 1 0 363.421 2.284 20 30 FEEDRO C[C@@H]1C[N@@H+](CCC2CCN(C(=O)c3ccc(C#N)nc3)CC2)C[C@H](C)O1 ZINC000370207013 556810960 /nfs/dbraw/zinc/81/09/60/556810960.db2.gz GEMLRPPKNCZHPX-IYBDPMFKSA-N 1 0 356.470 2.305 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N2CCC[C@@H](CNC(=O)c3ccco3)C2)CC1 ZINC000370289610 556831242 /nfs/dbraw/zinc/83/12/42/556831242.db2.gz SJTVVPFHAJQONV-INIZCTEOSA-N 1 0 374.485 2.081 20 30 FEEDRO CC(C)(C)OC(=O)N1CCN2C(NCCCC(F)(F)F)=[NH+]C[C@H]2C1 ZINC000370376849 556855045 /nfs/dbraw/zinc/85/50/45/556855045.db2.gz HXUBHJFUOCYHRB-NSHDSACASA-N 1 0 350.385 2.209 20 30 FEEDRO N#CCC1(CS(=O)(=O)N2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC000516848479 562060109 /nfs/dbraw/zinc/06/01/09/562060109.db2.gz DBSXIGOHTXQVMT-HDICACEKSA-N 1 0 359.495 2.074 20 30 FEEDRO C=C(C)[C@H]1OCCC[C@H]1C(=O)N1CCC(CC[NH+]2CCN(C)CC2)CC1 ZINC000370593173 556917106 /nfs/dbraw/zinc/91/71/06/556917106.db2.gz LRYRGKQVZRXENJ-WOJBJXKFSA-N 1 0 363.546 2.234 20 30 FEEDRO N#Cc1ccc(N2CCC([NH2+]Cc3cc(=O)n4ccccc4n3)CC2)cc1 ZINC000516975574 562068672 /nfs/dbraw/zinc/06/86/72/562068672.db2.gz WYNQKXFMEBWPEY-UHFFFAOYSA-N 1 0 359.433 2.325 20 30 FEEDRO CN(CCC#N)C[C@H](O)C[NH2+][C@@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000517145914 562077489 /nfs/dbraw/zinc/07/74/89/562077489.db2.gz SPHPEJRDZCVDES-CJNGLKHVSA-N 1 0 360.285 2.213 20 30 FEEDRO CC(C)[C@@H]1C[NH2+]CCN1S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000528048603 562312387 /nfs/dbraw/zinc/31/23/87/562312387.db2.gz KSGWLSNZUKLMTC-AWEZNQCLSA-N 1 0 361.389 2.196 20 30 FEEDRO C[NH+]1CCC2(CCCN2C(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000371412575 557177875 /nfs/dbraw/zinc/17/78/75/557177875.db2.gz WQONFUKNEYBWCR-UHFFFAOYSA-N 1 0 360.845 2.237 20 30 FEEDRO CC(=O)Nc1ccc(S[C@H](C)C(=O)NC2(C#N)CC[NH+](C)CC2)cc1 ZINC000517580169 562093011 /nfs/dbraw/zinc/09/30/11/562093011.db2.gz CUFGJOPUDOXMFP-CYBMUJFWSA-N 1 0 360.483 2.230 20 30 FEEDRO CN(C)CC[NH+]1CCC(CNC(=O)[C@@]2(C#N)CCc3ccccc3C2)CC1 ZINC000371514290 557207187 /nfs/dbraw/zinc/20/71/87/557207187.db2.gz LWCZVESLGIWQTE-QFIPXVFZSA-N 1 0 368.525 2.075 20 30 FEEDRO COCC[N@@H+]1CC[C@H](NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)C1 ZINC000517680856 562095354 /nfs/dbraw/zinc/09/53/54/562095354.db2.gz JWDFCILPWMBPJY-KRWDZBQOSA-N 1 0 366.421 2.196 20 30 FEEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCCN(c3nccn4cnnc34)C1)CC2 ZINC000517786250 562098029 /nfs/dbraw/zinc/09/80/29/562098029.db2.gz PUVMEXFRHUPIHR-LPHOPBHVSA-N 1 0 373.464 2.489 20 30 FEEDRO C=C(C)[C@@H](CC(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1)OCC ZINC000371783286 557292543 /nfs/dbraw/zinc/29/25/43/557292543.db2.gz HNCJFWKIIGFJEI-GOSISDBHSA-N 1 0 351.535 2.234 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)[C@H]2CCCCN2C(=O)c2cccs2)CC1 ZINC000371825251 557304371 /nfs/dbraw/zinc/30/43/71/557304371.db2.gz QVBWTVVDDDLJCE-QGZVFWFLSA-N 1 0 373.522 2.347 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H](c2nnc3ccccn32)C(C)C)CC1 ZINC000518531424 562113742 /nfs/dbraw/zinc/11/37/42/562113742.db2.gz ZDPUCUXNIOLKRC-QGZVFWFLSA-N 1 0 356.474 2.376 20 30 FEEDRO COc1cc(C[NH2+]C[C@@H](O)COc2ccc(NC(C)=O)cc2)ccc1C#N ZINC000518760281 562117640 /nfs/dbraw/zinc/11/76/40/562117640.db2.gz QSRKDZNMHDBUCQ-GOSISDBHSA-N 1 0 369.421 2.055 20 30 FEEDRO CC(C)c1n[nH]c(C(=O)NC2(C#N)CC[NH+](C)CC2)c1Br ZINC000518817916 562119250 /nfs/dbraw/zinc/11/92/50/562119250.db2.gz NETORNUOAOIBFD-UHFFFAOYSA-N 1 0 354.252 2.013 20 30 FEEDRO C[NH+]1CCC(C#N)(NC(=O)c2[nH]nc3ccc(Br)cc32)CC1 ZINC000518950035 562121647 /nfs/dbraw/zinc/12/16/47/562121647.db2.gz FMDALLAPPVMVHL-UHFFFAOYSA-N 1 0 362.231 2.043 20 30 FEEDRO C=CCN(C(=O)NCc1nccn1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000372471364 557479363 /nfs/dbraw/zinc/47/93/63/557479363.db2.gz IEONAQPKNUKBPM-SFHVURJKSA-N 1 0 353.470 2.392 20 30 FEEDRO CN(CCC#N)C(=O)CC[N@H+]1[C@@H]2CC[C@H]1C[C@H](NC(=O)OC(C)(C)C)C2 ZINC000372545229 557499536 /nfs/dbraw/zinc/49/95/36/557499536.db2.gz IHFOINJMIFNICT-PHZGNYQRSA-N 1 0 364.490 2.269 20 30 FEEDRO C[C@@H](NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000519531861 562133797 /nfs/dbraw/zinc/13/37/97/562133797.db2.gz MDMPUZMHDOTPKL-NVXWUHKLSA-N 1 0 356.470 2.499 20 30 FEEDRO C#CC[C@]1(C(=O)N2CCC([NH+](C)C)CC2)CCCN1C(=O)OC(C)(C)C ZINC000372986209 557603852 /nfs/dbraw/zinc/60/38/52/557603852.db2.gz VMLGQLSARSHIQZ-HXUWFJFHSA-N 1 0 363.502 2.332 20 30 FEEDRO N#Cc1ccsc1NC(=O)CC[NH2+][C@H]1CCCC[C@@H]1N1CCOCC1 ZINC000373073043 557622075 /nfs/dbraw/zinc/62/20/75/557622075.db2.gz AQDPYBNRHFJKOG-HOTGVXAUSA-N 1 0 362.499 2.181 20 30 FEEDRO COc1ccc2c(c1)[C@@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)CCCO2 ZINC000373142143 557636840 /nfs/dbraw/zinc/63/68/40/557636840.db2.gz YREGLSQJIRUWHW-IJYGLTAASA-N 1 0 357.410 2.025 20 30 FEEDRO N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CC[C@@](O)(c3ccc(F)cc3)C2)cc1 ZINC000373200079 557648546 /nfs/dbraw/zinc/64/85/46/557648546.db2.gz CTRCVCYJYZXWQL-ICSRJNTNSA-N 1 0 356.397 2.031 20 30 FEEDRO C=CC[N@H+](C[C@H](O)COC(C)(C)C)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000520195995 562150271 /nfs/dbraw/zinc/15/02/71/562150271.db2.gz UBEDMFBUWOPHKA-QAPCUYQASA-N 1 0 359.474 2.387 20 30 FEEDRO COC(=O)[C@]12C[N@H+](Cc3ccc(N(C)CCC#N)cc3)C[C@H]1COCC2 ZINC000373487920 557702915 /nfs/dbraw/zinc/70/29/15/557702915.db2.gz FFZNLHKQTZUGCW-FXAWDEMLSA-N 1 0 357.454 2.048 20 30 FEEDRO CN1CCC([N@@H+]2CC[C@H](NC(=O)C[C@@H](CC#N)c3ccccc3)C2)CC1 ZINC000373507426 557707177 /nfs/dbraw/zinc/70/71/77/557707177.db2.gz IAHSYEDIVWTFHQ-MOPGFXCFSA-N 1 0 354.498 2.359 20 30 FEEDRO C[C@H](C(=O)NC1(C#N)CCCCC1)N1CC(C)(C)O[C@]2(CCCOC2)C1 ZINC000373797040 557761122 /nfs/dbraw/zinc/76/11/22/557761122.db2.gz MJFHVMDWIIBDPV-OXQOHEQNSA-N 1 0 363.502 2.378 20 30 FEEDRO COc1cc(C[NH2+]C2CCC(N3CCCS3(=O)=O)CC2)ccc1C#N ZINC000374138050 557829892 /nfs/dbraw/zinc/82/98/92/557829892.db2.gz MKNCPVATMPMLJL-UHFFFAOYSA-N 1 0 363.483 2.003 20 30 FEEDRO C[N@@H+]1CC[C@@H](CNC(=O)NCCc2cccc(C#N)c2)[C@@H]1c1cccnc1 ZINC000374192990 557841522 /nfs/dbraw/zinc/84/15/22/557841522.db2.gz JNKNTVFAQXTVKM-PMACEKPBSA-N 1 0 363.465 2.488 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N2Cc3ccccc3[C@@H](C(=O)OCC)C2)CC1 ZINC000374412147 557880826 /nfs/dbraw/zinc/88/08/26/557880826.db2.gz QDEXIEUYSDQTOM-IBGZPJMESA-N 1 0 354.450 2.021 20 30 FEEDRO C[C@H](CC#N)N(C)S(=O)(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000374538391 557896953 /nfs/dbraw/zinc/89/69/53/557896953.db2.gz QXPVVMXHGFMYMX-OAHLLOKOSA-N 1 0 356.536 2.099 20 30 FEEDRO N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@](CO)(c3ccccc3)C2)cc1 ZINC000374559281 557899604 /nfs/dbraw/zinc/89/96/04/557899604.db2.gz FZZQKHHLCWHALI-UNMCSNQZSA-N 1 0 366.461 2.324 20 30 FEEDRO C[C@@H](NC(=O)N[C@H]1CCCN(c2ccccc2C#N)C1)C1=CC[N@H+](C)CC1 ZINC000374752068 557925572 /nfs/dbraw/zinc/92/55/72/557925572.db2.gz QXMUQFAGBXFNRX-APWZRJJASA-N 1 0 367.497 2.477 20 30 FEEDRO CN1CC[NH+](CC2(C)CCN(c3ccc([N+](=O)[O-])cc3C#N)CC2)CC1 ZINC000374924789 557952256 /nfs/dbraw/zinc/95/22/56/557952256.db2.gz HKJWCMAOUJMGJH-UHFFFAOYSA-N 1 0 357.458 2.320 20 30 FEEDRO N#CCCN(C(=O)C[NH2+][C@@H]1CCC(=O)N[C@@H]1C1CC1)c1cccc(Cl)c1 ZINC000375338668 558011556 /nfs/dbraw/zinc/01/15/56/558011556.db2.gz SHGIYXUYXLSRPY-VQIMIIECSA-N 1 0 374.872 2.233 20 30 FEEDRO CC[NH+]1CCN(Cc2ccccc2CNCc2nc(C#N)cs2)CC1 ZINC000521519285 562178024 /nfs/dbraw/zinc/17/80/24/562178024.db2.gz OHNUQHVPZQZOKE-UHFFFAOYSA-N 1 0 355.511 2.442 20 30 FEEDRO CN1C(=O)C[C@H]([NH2+]C[C@@H](O)c2ccc(C#N)cc2)[C@H]1c1ccc(F)cc1 ZINC000375429884 558025980 /nfs/dbraw/zinc/02/59/80/558025980.db2.gz TURZHSYSGGVCCZ-NLWGTHIKSA-N 1 0 353.397 2.292 20 30 FEEDRO Cc1ncc(CN2CC[C@H]([NH2+]CCC(=O)N(C)CCC#N)[C@H](C)C2)s1 ZINC000375509051 558040220 /nfs/dbraw/zinc/04/02/20/558040220.db2.gz KBYAZLDOUJCYEQ-PBHICJAKSA-N 1 0 363.531 2.014 20 30 FEEDRO CCN(CCC#N)C(=O)CN1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000375762096 558078770 /nfs/dbraw/zinc/07/87/70/558078770.db2.gz XRFZULNUPABUKH-NRFANRHFSA-N 1 0 354.498 2.347 20 30 FEEDRO CCC(=O)N1CCC[C@H]1[C@H]1CCC[N@@H+]1CC(=O)NCc1cccc(C#N)c1 ZINC000375790752 558080022 /nfs/dbraw/zinc/08/00/22/558080022.db2.gz LDQNXYIMJGCBHM-MOPGFXCFSA-N 1 0 368.481 2.040 20 30 FEEDRO Cn1ccc(N2CC[C@H]([NH2+]C3CCN(c4ccc(C#N)cc4)CC3)C2)n1 ZINC000375854682 558089561 /nfs/dbraw/zinc/08/95/61/558089561.db2.gz VNSVPRLOPDKPEL-SFHVURJKSA-N 1 0 350.470 2.129 20 30 FEEDRO N#Cc1cccc(CNC(=O)CN2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000521820981 562184023 /nfs/dbraw/zinc/18/40/23/562184023.db2.gz MMSJEJMREUVVOE-UHFFFAOYSA-N 1 0 362.477 2.035 20 30 FEEDRO C=C(CNC(=O)N1CCC[C@H](C[NH+]2CCN(C)CC2)C1)c1ccccc1 ZINC000377078468 558261716 /nfs/dbraw/zinc/26/17/16/558261716.db2.gz NPEALLWSTAIUQY-LJQANCHMSA-N 1 0 356.514 2.369 20 30 FEEDRO Cc1cc(=NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)[nH]n1CCC#N ZINC000377578228 558369880 /nfs/dbraw/zinc/36/98/80/558369880.db2.gz BKELKWNAXHHNNN-AEFFLSMTSA-N 1 0 366.469 2.890 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N[C@H]2CCCN(c3cccc(F)c3)C2=O)CC1 ZINC000377689796 558397814 /nfs/dbraw/zinc/39/78/14/558397814.db2.gz YJVXBMBSNXGXSH-SFHVURJKSA-N 1 0 374.460 2.271 20 30 FEEDRO COc1cc(C[N@@H+]2CCCC[C@@H]2COC(=O)N[C@@H]2CCOC2)ccc1C#N ZINC000377690382 558398054 /nfs/dbraw/zinc/39/80/54/558398054.db2.gz GGVSPNPTAVEVKW-QZTJIDSGSA-N 1 0 373.453 2.436 20 30 FEEDRO CC(C)c1nccn1C[C@H]1CCC[N@@H+]1CC(=O)N(CCC#N)CCC#N ZINC000377717469 558404383 /nfs/dbraw/zinc/40/43/83/558404383.db2.gz IGDDKDFGPAXLGD-QGZVFWFLSA-N 1 0 356.474 2.127 20 30 FEEDRO N#CC1(NC(=O)CN2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)CCC1 ZINC000377771263 558416546 /nfs/dbraw/zinc/41/65/46/558416546.db2.gz FPLHVLNAVRRDQG-OALUTQOASA-N 1 0 352.482 2.003 20 30 FEEDRO N#CC1(NC(=O)CN2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)CCC1 ZINC000377771265 558416862 /nfs/dbraw/zinc/41/68/62/558416862.db2.gz FPLHVLNAVRRDQG-RBUKOAKNSA-N 1 0 352.482 2.003 20 30 FEEDRO CN(C)C(=O)C[N@@H+]1CCCN(CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000377983540 558457685 /nfs/dbraw/zinc/45/76/85/558457685.db2.gz CNZWMDKOTGKWSF-UHFFFAOYSA-N 1 0 367.415 2.153 20 30 FEEDRO N#Cc1ccc(Cn2cnc(NC(=O)[C@H]3C[C@H]4CCCC[N@@H+]4C3)n2)cc1 ZINC000378008442 558461973 /nfs/dbraw/zinc/46/19/73/558461973.db2.gz IPQCBDXQCYCRLK-DLBZAZTESA-N 1 0 350.426 2.011 20 30 FEEDRO CC[C@@H](C#N)Oc1cc(CNC(=O)N2CCn3cncc3C2)ccc1OC ZINC000378067907 558473286 /nfs/dbraw/zinc/47/32/86/558473286.db2.gz JACCPIGVFWXDCK-INIZCTEOSA-N 1 0 369.425 2.298 20 30 FEEDRO C#CCOc1ccc(C[NH+]2C[C@H]3CN(Cc4noc(CC)n4)C[C@@H]3C2)cc1 ZINC000378354145 558537161 /nfs/dbraw/zinc/53/71/61/558537161.db2.gz YYRQJSJYXMRJSH-ROUUACIJSA-N 1 0 366.465 2.208 20 30 FEEDRO N#Cc1ccc(OC[C@@H](O)C[NH2+]Cc2cnn(Cc3ccccc3)c2)cc1 ZINC000390263619 558610880 /nfs/dbraw/zinc/61/08/80/558610880.db2.gz OVJFVEKOMOICKU-FQEVSTJZSA-N 1 0 362.433 2.333 20 30 FEEDRO Cc1ncc(S(=O)(=O)NC[C@H](C)[N@H+](C)Cc2ccccc2)cc1C#N ZINC000390767723 558611992 /nfs/dbraw/zinc/61/19/92/558611992.db2.gz SIBLQYMHTBUOME-AWEZNQCLSA-N 1 0 358.467 2.061 20 30 FEEDRO N#Cc1ccc(N2CCN(C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@H]34)CC2)c(F)c1 ZINC000523818310 562220461 /nfs/dbraw/zinc/22/04/61/562220461.db2.gz ZKGQPNWSHQJIOR-IEBWSBKVSA-N 1 0 371.460 2.156 20 30 FEEDRO Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N3C[C@@H](C)[N@H+](C)[C@@H](C)C3)C2)n1 ZINC000408170278 558653089 /nfs/dbraw/zinc/65/30/89/558653089.db2.gz WJPZRCIKMWRQNL-SOLBZPMBSA-N 1 0 355.486 2.029 20 30 FEEDRO C[C@H](C(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)n1cnc(C#N)n1 ZINC000409452499 558693511 /nfs/dbraw/zinc/69/35/11/558693511.db2.gz INMDCGVRVRIZJM-CJNGLKHVSA-N 1 0 372.860 2.317 20 30 FEEDRO CCN(C[C@H](C)C#N)S(=O)(=O)NC(C)(C)CC[NH+]1CCCCCC1 ZINC000409513929 558699603 /nfs/dbraw/zinc/69/96/03/558699603.db2.gz OKABCLAWRAWQEX-MRXNPFEDSA-N 1 0 358.552 2.347 20 30 FEEDRO C[C@H](C(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1)n1cnc(C#N)n1 ZINC000409694720 558714062 /nfs/dbraw/zinc/71/40/62/558714062.db2.gz NHGPQHMMDKQCJE-HUUCEWRRSA-N 1 0 352.442 2.053 20 30 FEEDRO C[C@H](C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)n1cnc(C#N)n1 ZINC000409747426 558718324 /nfs/dbraw/zinc/71/83/24/558718324.db2.gz MZVPQNLNRXQTTN-NUJGCVRESA-N 1 0 366.469 2.222 20 30 FEEDRO CC[N@H+](CCC1CCN(C(=O)[C@H](C)n2cnc(C#N)n2)CC1)CC1CC1 ZINC000409888475 558724731 /nfs/dbraw/zinc/72/47/31/558724731.db2.gz BHXFMFJIQBMXLM-HNNXBMFYSA-N 1 0 358.490 2.071 20 30 FEEDRO C=CCN1CC[C@@H](N(C)C(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)C1=O ZINC000410108731 558739060 /nfs/dbraw/zinc/73/90/60/558739060.db2.gz XTWMWPMMKBYYLR-IEBWSBKVSA-N 1 0 373.472 2.283 20 30 FEEDRO C=CC[N@@H+](CCOC[C@@H]1CCCO1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000525487015 562249335 /nfs/dbraw/zinc/24/93/35/562249335.db2.gz QZYCKIYTPUZHTQ-APWZRJJASA-N 1 0 357.458 2.407 20 30 FEEDRO C[NH+](C)CCN(Cc1ccsc1)C(=O)C(=O)Nc1sccc1C#N ZINC000411694294 558945712 /nfs/dbraw/zinc/94/57/12/558945712.db2.gz NLMMOEVWOWACSH-UHFFFAOYSA-N 1 0 362.480 2.210 20 30 FEEDRO COc1ccc(C#N)cc1NC(=O)C(=O)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000525836586 562256817 /nfs/dbraw/zinc/25/68/17/562256817.db2.gz DJLJVMDJOGLZFM-UHFFFAOYSA-N 1 0 372.469 2.084 20 30 FEEDRO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1C[C@@H](c2ccccc2)[C@H](C(N)=O)C1 ZINC000411974228 558997993 /nfs/dbraw/zinc/99/79/93/558997993.db2.gz UOEVLVYZHUDXEP-DOTOQJQBSA-N 1 0 350.378 2.167 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@H](CO)[C@H]1CCCOC1 ZINC000411999723 559000868 /nfs/dbraw/zinc/00/08/68/559000868.db2.gz XYWLKSUYASDGDE-YQQAZPJKSA-N 1 0 352.500 2.028 20 30 FEEDRO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@H](CCC(=O)OC(C)(C)C)C1 ZINC000412074432 559010017 /nfs/dbraw/zinc/01/00/17/559010017.db2.gz RAANSCVBXUFFFC-LSDHHAIUSA-N 1 0 367.490 2.221 20 30 FEEDRO CCOC(=O)[C@H](CC)C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000413690371 559124929 /nfs/dbraw/zinc/12/49/29/559124929.db2.gz GESHSIUJNZHBKX-QGZVFWFLSA-N 1 0 357.454 2.250 20 30 FEEDRO C[C@@H]([NH2+]CC(C)(C)CC#N)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000414169777 559151180 /nfs/dbraw/zinc/15/11/80/559151180.db2.gz SAKWOWWCVXKMDP-OAHLLOKOSA-N 1 0 365.499 2.298 20 30 FEEDRO Cn1cc(C[NH2+]CCC(C)(C)S(C)(=O)=O)c(-c2ccc(C#N)cc2)n1 ZINC000414512464 559169436 /nfs/dbraw/zinc/16/94/36/559169436.db2.gz CFTBRMMXFPKKQD-UHFFFAOYSA-N 1 0 360.483 2.262 20 30 FEEDRO N#Cc1ccc(Cc2cnc(NC(=O)N3CCCO[C@H](C[NH3+])C3)s2)cc1 ZINC000414733118 559183137 /nfs/dbraw/zinc/18/31/37/559183137.db2.gz JOUSSIZPOKDVSA-OAHLLOKOSA-N 1 0 371.466 2.187 20 30 FEEDRO CC(C)N(CCC#N)C(=O)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000527104470 562276569 /nfs/dbraw/zinc/27/65/69/562276569.db2.gz IWYSHTWGSNLRQA-UHFFFAOYSA-N 1 0 356.470 2.414 20 30 FEEDRO CCC(CC)CN(CCC#N)C(=O)C(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2 ZINC000415125880 559206651 /nfs/dbraw/zinc/20/66/51/559206651.db2.gz FOLQVJDJSONMGJ-INIZCTEOSA-N 1 0 371.485 2.015 20 30 FEEDRO C[C@H](NC(=O)C(=O)Nc1sc(C(C)(C)C)cc1C#N)[C@H]1CCC[NH2+]C1 ZINC000415360458 559227488 /nfs/dbraw/zinc/22/74/88/559227488.db2.gz ZHUPTILYEYIITP-RYUDHWBXSA-N 1 0 362.499 2.360 20 30 FEEDRO CC(C)(C#N)c1ccc(NC(=O)C(=O)NC[C@H]([NH3+])c2ccccc2)cc1 ZINC000415391003 559230437 /nfs/dbraw/zinc/23/04/37/559230437.db2.gz KYUDWWSSNAJBFS-KRWDZBQOSA-N 1 0 350.422 2.242 20 30 FEEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000415394748 559230912 /nfs/dbraw/zinc/23/09/12/559230912.db2.gz LXHMQGGGSWGEMT-ZIAGYGMSSA-N 1 0 374.510 2.463 20 30 FEEDRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000415403745 559231931 /nfs/dbraw/zinc/23/19/31/559231931.db2.gz AFDQGWNHEOCCJX-CQSZACIVSA-N 1 0 366.421 2.261 20 30 FEEDRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 ZINC000415432130 559236118 /nfs/dbraw/zinc/23/61/18/559236118.db2.gz FNQBLARQIXAXCA-QGZVFWFLSA-N 1 0 366.421 2.389 20 30 FEEDRO N#Cc1ccc(-n2ccc(NC(=O)NC3CCC([NH3+])CC3)n2)c(Cl)c1 ZINC000415441454 559237425 /nfs/dbraw/zinc/23/74/25/559237425.db2.gz DZUKGFHWBCWKLY-UHFFFAOYSA-N 1 0 358.833 2.789 20 30 FEEDRO N#Cc1cccc(Oc2ccc(NC(=O)C(=O)N[C@@H](C[NH3+])C3CC3)cc2)c1 ZINC000415453366 559238651 /nfs/dbraw/zinc/23/86/51/559238651.db2.gz NCPJBKCRAZBJBK-SFHVURJKSA-N 1 0 364.405 2.143 20 30 FEEDRO CCCC[C@@H](C[NH3+])NC(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 ZINC000415455453 559238999 /nfs/dbraw/zinc/23/89/99/559238999.db2.gz JNQXVIJJIDHCGV-ZDUSSCGKSA-N 1 0 360.849 3.036 20 30 FEEDRO C[C@H]1C[C@H](NC(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)CC[NH2+]1 ZINC000415456516 559239160 /nfs/dbraw/zinc/23/91/60/559239160.db2.gz KQHKZLVAYMEULW-WCQYABFASA-N 1 0 358.833 2.659 20 30 FEEDRO C[C@H]1CCN(C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)C[C@@H]1C[NH3+] ZINC000415458045 559239266 /nfs/dbraw/zinc/23/92/66/559239266.db2.gz LNPAHIXFUMODDM-JSGCOSHPSA-N 1 0 372.860 2.846 20 30 FEEDRO N#Cc1ccc(-n2ccc(NC(=O)N3CCCC[C@@H]3C[NH3+])n2)c(Cl)c1 ZINC000415464589 559239969 /nfs/dbraw/zinc/23/99/69/559239969.db2.gz ROOKZNYUPMJMFW-CYBMUJFWSA-N 1 0 358.833 2.742 20 30 FEEDRO N#Cc1ccc(Cl)c(NC(=O)C(=O)N2CCC([NH2+]CC3CC3)CC2)c1 ZINC000415465720 559240249 /nfs/dbraw/zinc/24/02/49/559240249.db2.gz QBGWBCBYNVBHMX-UHFFFAOYSA-N 1 0 360.845 2.141 20 30 FEEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000415467770 559240447 /nfs/dbraw/zinc/24/04/47/559240447.db2.gz VCYVUDKTVRGNNJ-BFHYXJOUSA-N 1 0 360.483 2.215 20 30 FEEDRO CC[NH2+]CC1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2OC(C)C)CC1 ZINC000415475206 559241372 /nfs/dbraw/zinc/24/13/72/559241372.db2.gz HLSOTQGLGWEJFE-UHFFFAOYSA-N 1 0 372.469 2.132 20 30 FEEDRO N#Cc1cccnc1-n1cc(NC(=O)NCC2([NH3+])CCCCCC2)cn1 ZINC000415495114 559243301 /nfs/dbraw/zinc/24/33/01/559243301.db2.gz MYUBGPLZEMOSGO-UHFFFAOYSA-N 1 0 353.430 2.312 20 30 FEEDRO CCC[NH2+]CCNC(=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 ZINC000415521555 559246152 /nfs/dbraw/zinc/24/61/52/559246152.db2.gz UHYSPQMPVKNMJF-UHFFFAOYSA-N 1 0 366.421 2.405 20 30 FEEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000415563898 559250163 /nfs/dbraw/zinc/25/01/63/559250163.db2.gz HPXOINNOUJJQGC-MCIONIFRSA-N 1 0 360.483 2.073 20 30 FEEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000415616229 559255368 /nfs/dbraw/zinc/25/53/68/559255368.db2.gz DELLVOBLLDEBCW-NFAWXSAZSA-N 1 0 360.483 2.134 20 30 FEEDRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)Nc1ccccc1C#Cc1ccccc1 ZINC000415623485 559255860 /nfs/dbraw/zinc/25/58/60/559255860.db2.gz ZTQQNMGNDOPDGY-JXFKEZNVSA-N 1 0 361.445 2.139 20 30 FEEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000415627789 559256311 /nfs/dbraw/zinc/25/63/11/559256311.db2.gz CSCNALRLBGFVLN-SOUVJXGZSA-N 1 0 372.494 2.230 20 30 FEEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000415646152 559257755 /nfs/dbraw/zinc/25/77/55/559257755.db2.gz MMCHGRCGNYZNLQ-MGPQQGTHSA-N 1 0 360.483 2.263 20 30 FEEDRO C=CCOc1cccc(NC(=O)C(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)c1 ZINC000415764544 559268996 /nfs/dbraw/zinc/26/89/96/559268996.db2.gz PVJRDCUCWMQPCT-INIZCTEOSA-N 1 0 357.454 2.038 20 30 FEEDRO CC(C)(CCC[NH3+])NC(=O)C(=O)Nc1cccc(C#Cc2ccccn2)c1 ZINC000415768611 559269457 /nfs/dbraw/zinc/26/94/57/559269457.db2.gz YWNQUKKNIWDAFT-UHFFFAOYSA-N 1 0 364.449 2.054 20 30 FEEDRO CC(C)(C)c1csc(NC(=O)C(=O)N2CCNC[C@@](C)(F)C2)c1C#N ZINC000415794901 559271873 /nfs/dbraw/zinc/27/18/73/559271873.db2.gz XVOSKXOXJMFPFW-QGZVFWFLSA-N 1 0 366.462 2.016 20 30 FEEDRO CCc1ccccc1[C@H]([NH3+])CNC(=O)C(=O)Nc1cc(C#N)ccc1C ZINC000415827097 559275782 /nfs/dbraw/zinc/27/57/82/559275782.db2.gz ADKRCUSLWHQIEW-QGZVFWFLSA-N 1 0 350.422 2.184 20 30 FEEDRO COc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000415833643 559276497 /nfs/dbraw/zinc/27/64/97/559276497.db2.gz TUUWPFANLZICMK-INIZCTEOSA-N 1 0 366.421 2.102 20 30 FEEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000415859182 559279354 /nfs/dbraw/zinc/27/93/54/559279354.db2.gz AKKJQQCRHVKETJ-ZIAGYGMSSA-N 1 0 360.483 2.278 20 30 FEEDRO Cc1c(C#N)cccc1NC(=O)C(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1 ZINC000415863090 559279492 /nfs/dbraw/zinc/27/94/92/559279492.db2.gz QTMUBNZAIWGYPN-KRWDZBQOSA-N 1 0 354.454 2.042 20 30 FEEDRO CC[NH2+]Cc1cccc(NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)c1 ZINC000415928435 559283042 /nfs/dbraw/zinc/28/30/42/559283042.db2.gz FKHAILVJHNGSMI-UHFFFAOYSA-N 1 0 364.453 2.417 20 30 FEEDRO C[NH+](C)CC1(NS(=O)(=O)c2cc(Br)ccc2C#N)CCC1 ZINC000416521445 559319565 /nfs/dbraw/zinc/31/95/65/559319565.db2.gz ICFBNTBTIWABNF-UHFFFAOYSA-N 1 0 372.288 2.083 20 30 FEEDRO C=CCN(C(=O)N[C@@H]1CC[N@@H+](CC)C1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000416735081 559330556 /nfs/dbraw/zinc/33/05/56/559330556.db2.gz PVNCRHABAGULOA-NVXWUHKLSA-N 1 0 369.473 2.015 20 30 FEEDRO C=CCCC[C@H](C)NC(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000417982079 559384862 /nfs/dbraw/zinc/38/48/62/559384862.db2.gz MXHXEZRVBRLPHY-BBWFWOEESA-N 1 0 350.507 2.021 20 30 FEEDRO C=C(C)[C@H](NC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1)c1ccc(F)c(F)c1 ZINC000418030382 559387215 /nfs/dbraw/zinc/38/72/15/559387215.db2.gz MLNVQFJWUOCQAT-YJBOKZPZSA-N 1 0 364.440 2.271 20 30 FEEDRO C[C@H]([NH3+])c1ccc(CNC(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc1 ZINC000418458502 559402553 /nfs/dbraw/zinc/40/25/53/559402553.db2.gz IDYYSLLEBGHEHT-HNNXBMFYSA-N 1 0 364.453 2.005 20 30 FEEDRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000418604983 559407514 /nfs/dbraw/zinc/40/75/14/559407514.db2.gz YHECQEDRXXYXCL-GUYCJALGSA-N 1 0 360.433 2.248 20 30 FEEDRO C=CCC1(NC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CCCCC1 ZINC000418619249 559408098 /nfs/dbraw/zinc/40/80/98/559408098.db2.gz PIJNNBOPLPCTHR-CQSZACIVSA-N 1 0 362.440 2.401 20 30 FEEDRO N#Cc1cccc(NC(=O)C2CCN(C(=O)N[C@@H]3CC[C@@H](C[NH3+])C3)CC2)c1 ZINC000418795660 559416368 /nfs/dbraw/zinc/41/63/68/559416368.db2.gz SFXWPJTUNKZKRS-CRAIPNDOSA-N 1 0 369.469 2.046 20 30 FEEDRO CC[C@](C[NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1)(C(=O)OC)c1ccccc1 ZINC000419357470 559439390 /nfs/dbraw/zinc/43/93/90/559439390.db2.gz PFNHJBWHRGFFHT-WIYYLYMNSA-N 1 0 365.433 2.195 20 30 FEEDRO N#CCC[C@@H](NC(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1)c1ccccc1 ZINC000419480180 559444648 /nfs/dbraw/zinc/44/46/48/559444648.db2.gz VZZQRXQHMGFECU-RBUKOAKNSA-N 1 0 368.481 2.138 20 30 FEEDRO C[C@@H]1CN(C(=O)N[C@@H]2CCCc3cc(C#N)ccc32)CC[N@@H+]1CC(C)(C)O ZINC000419619004 559450248 /nfs/dbraw/zinc/45/02/48/559450248.db2.gz PEXXUMKCKDHEER-DNVCBOLYSA-N 1 0 370.497 2.422 20 30 FEEDRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000419643843 559451375 /nfs/dbraw/zinc/45/13/75/559451375.db2.gz OJHLKHHHWKBWEP-DNVCBOLYSA-N 1 0 370.497 2.422 20 30 FEEDRO C=CCC[C@H](NC(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC000419669927 559452878 /nfs/dbraw/zinc/45/28/78/559452878.db2.gz WAEKOWIUYNSVFU-MKXGPGLRSA-N 1 0 355.482 2.314 20 30 FEEDRO N#CC1(CNC(=O)C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)CCC1 ZINC000419817752 559460912 /nfs/dbraw/zinc/46/09/12/559460912.db2.gz MNMZPGNBCDDOKM-UHFFFAOYSA-N 1 0 368.481 2.464 20 30 FEEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000419965529 559466663 /nfs/dbraw/zinc/46/66/63/559466663.db2.gz JWBIIHBLXRTOTC-LJQANCHMSA-N 1 0 368.481 2.097 20 30 FEEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000420152594 559474917 /nfs/dbraw/zinc/47/49/17/559474917.db2.gz AGVMKSOBJXOMLN-SFHVURJKSA-N 1 0 373.497 2.104 20 30 FEEDRO C=C(C)CN(Cc1ccccc1)C(=O)C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000420159568 559475150 /nfs/dbraw/zinc/47/51/50/559475150.db2.gz IAVCYGOEWWKYAF-GOSISDBHSA-N 1 0 357.498 2.486 20 30 FEEDRO CC1(C)C[NH2+]CC[C@@H]1NS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000420464065 559488722 /nfs/dbraw/zinc/48/87/22/559488722.db2.gz OUZHDJMQBNHTJH-ZDUSSCGKSA-N 1 0 361.389 2.243 20 30 FEEDRO CCOC(=O)c1c(NC(=O)N2CCC([NH+](C)C)CC2)c(C#N)cn1CC ZINC000421146916 559526549 /nfs/dbraw/zinc/52/65/49/559526549.db2.gz CXTBONJUPWQDGJ-UHFFFAOYSA-N 1 0 361.446 2.114 20 30 FEEDRO CCOC(=O)c1c(NC(=O)N[C@@H](C)C[NH+](CC)CC)c(C#N)cn1CC ZINC000421166858 559528193 /nfs/dbraw/zinc/52/81/93/559528193.db2.gz RDTRPRBIYBTASL-ZDUSSCGKSA-N 1 0 363.462 2.408 20 30 FEEDRO CCOC(=O)c1c(NC(=O)N2CCC[N@H+](CC)CC2)c(C#N)cn1CC ZINC000421167623 559528420 /nfs/dbraw/zinc/52/84/20/559528420.db2.gz UYTFJUZNHYCYFF-UHFFFAOYSA-N 1 0 361.446 2.116 20 30 FEEDRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)C(=O)NCc3ccc(C#N)s3)ccc21 ZINC000421250753 559533584 /nfs/dbraw/zinc/53/35/84/559533584.db2.gz XRQDGARKMLEBAE-QGZVFWFLSA-N 1 0 368.462 2.424 20 30 FEEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)NC1CCC([NH+](C)C)CC1 ZINC000421285230 559535699 /nfs/dbraw/zinc/53/56/99/559535699.db2.gz AICVVAMURSPMOG-UHFFFAOYSA-N 1 0 372.469 2.273 20 30 FEEDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)Nc1scc(C(C)(C)C)c1C#N ZINC000421292768 559536320 /nfs/dbraw/zinc/53/63/20/559536320.db2.gz BSXKZWXHQKCTBB-GFCCVEGCSA-N 1 0 362.499 2.408 20 30 FEEDRO C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)NC[C@@H]1CCCC[N@H+]1CC ZINC000422310112 559577597 /nfs/dbraw/zinc/57/75/97/559577597.db2.gz VMGRELVLBMNRKN-OALUTQOASA-N 1 0 357.498 2.281 20 30 FEEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)NCC(C)(C)CC#N ZINC000422343174 559580094 /nfs/dbraw/zinc/58/00/94/559580094.db2.gz SGPJNNMNURFVAA-SJLPKXTDSA-N 1 0 370.497 2.069 20 30 FEEDRO CCCC[N@H+](C)CC1CCN(C(=O)C(=O)NCC(C)(C)CC#N)CC1 ZINC000422491247 559591762 /nfs/dbraw/zinc/59/17/62/559591762.db2.gz SXHWOBQCJUPLBE-UHFFFAOYSA-N 1 0 350.507 2.013 20 30 FEEDRO C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000422547724 559594452 /nfs/dbraw/zinc/59/44/52/559594452.db2.gz XNWIZNSAROLGTM-UXHICEINSA-N 1 0 371.525 2.480 20 30 FEEDRO C=C(C)CN(Cc1ccccc1)C(=O)C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000423380907 559627319 /nfs/dbraw/zinc/62/73/19/559627319.db2.gz ZDDHKTAKTPCYSF-UHFFFAOYSA-N 1 0 355.482 2.193 20 30 FEEDRO CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)[C@@H]([NH3+])CCCC#N ZINC000424084387 559654349 /nfs/dbraw/zinc/65/43/49/559654349.db2.gz YFKPYYLJHBMXKF-LBPRGKRZSA-N 1 0 370.375 2.302 20 30 FEEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424098739 559654774 /nfs/dbraw/zinc/65/47/74/559654774.db2.gz HPFUCHUEUGCATG-INIZCTEOSA-N 1 0 355.442 2.040 20 30 FEEDRO C=CCNS(=O)(=O)c1ccc(-c2nc(C3([NH3+])CCCCC3)no2)cc1 ZINC000424339730 559661511 /nfs/dbraw/zinc/66/15/11/559661511.db2.gz DTARKLALOXJVLQ-UHFFFAOYSA-N 1 0 362.455 2.319 20 30 FEEDRO C=CCC1(C(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)CCOCC1 ZINC000424755666 559675685 /nfs/dbraw/zinc/67/56/85/559675685.db2.gz RNIPAURDSRENRA-DFNIBXOVSA-N 1 0 361.530 2.129 20 30 FEEDRO C[N@@H+]1C[C@@H]2CCCN(C(=O)CCCC(=O)Nc3ccccc3C#N)[C@@H]2C1 ZINC000425057750 559685707 /nfs/dbraw/zinc/68/57/07/559685707.db2.gz NCXLGRINPVZUPL-FUHWJXTLSA-N 1 0 354.454 2.220 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1CNc1cc(C2CC2)[nH+]c(NC[C@@H]2CCO[C@H]2C=C)n1 ZINC000425263727 559694063 /nfs/dbraw/zinc/69/40/63/559694063.db2.gz MMIHARHHGBYIFR-CAMMJAKZSA-N 1 0 370.497 2.204 20 30 FEEDRO CN(C)c1ncc(C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)n1C ZINC000425323663 559696689 /nfs/dbraw/zinc/69/66/89/559696689.db2.gz JJCJCBGMCMUKJK-UHFFFAOYSA-N 1 0 366.469 2.208 20 30 FEEDRO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000425386772 559699394 /nfs/dbraw/zinc/69/93/94/559699394.db2.gz PUJKHXLCJSMHAI-QFBILLFUSA-N 1 0 370.497 2.410 20 30 FEEDRO CC(C)[NH2+]C1CCN(C(=O)C(=O)N(C)[C@H](C)c2cccc(C#N)c2)CC1 ZINC000425390696 559699537 /nfs/dbraw/zinc/69/95/37/559699537.db2.gz WWKKSMOPUNPZOS-OAHLLOKOSA-N 1 0 356.470 2.067 20 30 FEEDRO C=CCn1cc(CNC(=O)N2CC[N@H+](Cc3ccccc3)[C@@H](CC)C2)nn1 ZINC000425562724 559709941 /nfs/dbraw/zinc/70/99/41/559709941.db2.gz GXMRVRJQFHUEEL-IBGZPJMESA-N 1 0 368.485 2.270 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000425565669 559710006 /nfs/dbraw/zinc/71/00/06/559710006.db2.gz OOIBGQOTOJPNRL-ROUUACIJSA-N 1 0 365.518 2.159 20 30 FEEDRO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000425878276 559723778 /nfs/dbraw/zinc/72/37/78/559723778.db2.gz YGKCIVDIYWGLBX-HNNXBMFYSA-N 1 0 368.481 2.068 20 30 FEEDRO C=CCN(CC=C)C(=O)[C@@H](C)N(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425995178 559727072 /nfs/dbraw/zinc/72/70/72/559727072.db2.gz TVVOZFJCHZORFE-DENIHFKCSA-N 1 0 371.525 2.144 20 30 FEEDRO C[NH+](C)C[C@@H](O)COc1ccc(NC(=O)c2cccc(F)c2C#N)cc1 ZINC000427149094 559749203 /nfs/dbraw/zinc/74/92/03/559749203.db2.gz CLHSBTUGSJWZGB-CQSZACIVSA-N 1 0 357.385 2.251 20 30 FEEDRO C[N@H+](Cc1ccccc1)[C@H](CNS(=O)(=O)c1cccnc1C#N)C1CC1 ZINC000428426890 559775261 /nfs/dbraw/zinc/77/52/61/559775261.db2.gz YXYMPCXFTMNLSI-GOSISDBHSA-N 1 0 370.478 2.142 20 30 FEEDRO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000429012118 559788249 /nfs/dbraw/zinc/78/82/49/559788249.db2.gz UJLXIECYHBVVIB-BFUOFWGJSA-N 1 0 358.511 2.463 20 30 FEEDRO C[C@H]1C[C@@H]1[N@@H+]1CCN([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C[C@@H](C)C1 ZINC000429019506 559788828 /nfs/dbraw/zinc/78/88/28/559788828.db2.gz JNKUVQHNZFLHMN-GJJHYRHESA-N 1 0 352.482 2.326 20 30 FEEDRO C=CCN1CC[C@@H]([N@H+]2C[C@@H](c3ccc(Cl)cc3)[C@H](C(=O)OC)C2)C1=O ZINC000429113461 559791004 /nfs/dbraw/zinc/79/10/04/559791004.db2.gz IILHAEWEIBJVSD-GVDBMIGSSA-N 1 0 362.857 2.315 20 30 FEEDRO CC[NH+]1CCN(Cc2ccc(CNC(=O)c3ccc(C#N)o3)cc2)CC1 ZINC000429860482 559807378 /nfs/dbraw/zinc/80/73/78/559807378.db2.gz PIRPLOHHRKIWRQ-UHFFFAOYSA-N 1 0 352.438 2.219 20 30 FEEDRO C=CCOc1cccc(NC(=O)NCC(=O)NCC[NH+]2CCCCCC2)c1 ZINC000432757711 559864072 /nfs/dbraw/zinc/86/40/72/559864072.db2.gz CELKRFVCXDXNMP-UHFFFAOYSA-N 1 0 374.485 2.365 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)NCCC[NH+]2CCCC2)cc1Br ZINC000432941821 559868415 /nfs/dbraw/zinc/86/84/15/559868415.db2.gz YNLUUKBQINBFCM-UHFFFAOYSA-N 1 0 372.288 2.085 20 30 FEEDRO CC(=O)N1CCC(NC(=O)C[NH2+][C@@H](CCCC#N)c2ccccc2)CC1 ZINC000433015364 559869865 /nfs/dbraw/zinc/86/98/65/559869865.db2.gz WVQFZXGDZCVDAZ-IBGZPJMESA-N 1 0 356.470 2.138 20 30 FEEDRO C[C@@H](C#N)CN(C(=O)C(=O)Nc1cccc2c1OCC[C@@H]2[NH+](C)C)C1CC1 ZINC000435066551 559915482 /nfs/dbraw/zinc/91/54/82/559915482.db2.gz OBLVAZNOROYQOE-GUYCJALGSA-N 1 0 370.453 2.161 20 30 FEEDRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1ccc(F)cc1C#N ZINC000435651771 559927380 /nfs/dbraw/zinc/92/73/80/559927380.db2.gz XQTYSGKTNNXGFA-MRXNPFEDSA-N 1 0 360.433 2.407 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CC[N@H+](CCOC)[C@@H](CCC)C1 ZINC000438442206 559979169 /nfs/dbraw/zinc/97/91/69/559979169.db2.gz JDTPDKMZXJLMQA-SQNIBIBYSA-N 1 0 353.507 2.110 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1cc(N2CCOCC2)ccn1)C(C)C ZINC000439266030 559991147 /nfs/dbraw/zinc/99/11/47/559991147.db2.gz AQPVBTBNHGDUHJ-HXUWFJFHSA-N 1 0 372.513 2.347 20 30 FEEDRO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1C[C@@H]2CCC[C@@]2(C(=O)OC(C)(C)C)C1 ZINC000439476397 559995072 /nfs/dbraw/zinc/99/50/72/559995072.db2.gz FWZGQFASIJFERB-CWFSZBLJSA-N 1 0 363.502 2.485 20 30 FEEDRO CCC(CC)[C@@H](CNS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)[NH+](C)C ZINC000440076116 560004407 /nfs/dbraw/zinc/00/44/07/560004407.db2.gz JQRVKSKQVOSFBG-OAHLLOKOSA-N 1 0 368.459 2.111 20 30 FEEDRO CN(C(=O)C[NH2+][C@@]1(CO)CCCc2ccccc21)C1(C#N)CCCCC1 ZINC000440486538 560012156 /nfs/dbraw/zinc/01/21/56/560012156.db2.gz YZKKMMSZEBFSAH-OAQYLSRUSA-N 1 0 355.482 2.485 20 30 FEEDRO N#Cc1ccc(C[NH2+]C[C@H]2C[C@H](c3nnc[nH]3)C[C@H]2O)c(C(F)(F)F)c1 ZINC000527570183 562295257 /nfs/dbraw/zinc/29/52/57/562295257.db2.gz KYKYSQQSVISWJA-GZBFAFLISA-N 1 0 365.359 2.339 20 30 FEEDRO N#Cc1ccc([C@@H]([NH2+]CCN2CCc3c(Cl)cccc3C2)C(N)=O)cc1 ZINC000442775273 560057080 /nfs/dbraw/zinc/05/70/80/560057080.db2.gz GCRWXDLBYVMNGJ-LJQANCHMSA-N 1 0 368.868 2.386 20 30 FEEDRO COC(=O)Cn1cc(CC[N@@H+](Cc2ccc(C#N)cc2)CC(C)C)nn1 ZINC000446856600 560152757 /nfs/dbraw/zinc/15/27/57/560152757.db2.gz ILGXTZQANFRJES-UHFFFAOYSA-N 1 0 355.442 2.023 20 30 FEEDRO Cc1ccc(NC(=O)CC[NH+]2CCN(Cc3ccc(C#N)cc3)CC2)nc1 ZINC000447002725 560155028 /nfs/dbraw/zinc/15/50/28/560155028.db2.gz MZDIDIXTSWMUMI-UHFFFAOYSA-N 1 0 363.465 2.408 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1C(F)(F)F ZINC000447243951 560158602 /nfs/dbraw/zinc/15/86/02/560158602.db2.gz BZDHDMHMNNTYHC-LNSITVRQSA-N 1 0 373.400 2.325 20 30 FEEDRO N#C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)C1 ZINC000447588432 560164996 /nfs/dbraw/zinc/16/49/96/560164996.db2.gz UKVOIFGIQGYTAD-BTHPGYMESA-N 1 0 352.482 2.257 20 30 FEEDRO CC(C)[C@](C)(C#N)NC(=O)C[N@H+](Cc1ccccc1)C[C@@]1(O)CCO[C@H]1C ZINC000447926737 560173473 /nfs/dbraw/zinc/17/34/73/560173473.db2.gz NDHCSULSQLJQMI-YYWHXJBOSA-N 1 0 373.497 2.083 20 30 FEEDRO N#Cc1cccc(C(=O)NCCCC[NH+]2CCOCC2)c1Br ZINC000448714734 560196186 /nfs/dbraw/zinc/19/61/86/560196186.db2.gz QPUADUHZHVSKQA-UHFFFAOYSA-N 1 0 366.259 2.163 20 30 FEEDRO Cc1nc2ccnn2cc1C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000448726167 560196820 /nfs/dbraw/zinc/19/68/20/560196820.db2.gz PJZDFRVHABLZGC-UHFFFAOYSA-N 1 0 362.437 2.113 20 30 FEEDRO CC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C1 ZINC000448763076 560198196 /nfs/dbraw/zinc/19/81/96/560198196.db2.gz MVKMQBGCTQILGQ-ZFWWWQNUSA-N 1 0 374.872 2.023 20 30 FEEDRO C=CCOc1ccc(CN2CC[NH+]([C@@H]3CCNC(=O)CC3)CC2)cc1OC ZINC000449696976 560237211 /nfs/dbraw/zinc/23/72/11/560237211.db2.gz KVKLPSQJRCWVSS-SFHVURJKSA-N 1 0 373.497 2.046 20 30 FEEDRO C[C@@H](Oc1ccccn1)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000449756313 560239074 /nfs/dbraw/zinc/23/90/74/560239074.db2.gz PZENREQAXVVQMW-MRXNPFEDSA-N 1 0 352.438 2.311 20 30 FEEDRO Cc1ccc([C@@H](CNC(=O)c2ccc(C#N)n2C)N2CCOCC2)s1 ZINC000450045625 560249158 /nfs/dbraw/zinc/24/91/58/560249158.db2.gz QZFKWQVLFCHXGA-MRXNPFEDSA-N 1 0 358.467 2.070 20 30 FEEDRO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)c1ccc(C#N)n1C ZINC000450058126 560249343 /nfs/dbraw/zinc/24/93/43/560249343.db2.gz HBHNVZCCEKDRKQ-UHFFFAOYSA-N 1 0 371.529 2.165 20 30 FEEDRO N#Cc1c(C#N)c(NC[C@@H]2CCC[N@H+]2CCCO)nc2c1CCCCCC2 ZINC000450591519 560267354 /nfs/dbraw/zinc/26/73/54/560267354.db2.gz GHIPFVPMLINZGM-INIZCTEOSA-N 1 0 367.497 2.743 20 30 FEEDRO CC(=O)Nc1ccc(C[NH+]2CCC(Nc3cnc(C#N)cn3)CC2)cc1 ZINC000450788418 560273311 /nfs/dbraw/zinc/27/33/11/560273311.db2.gz UCCMOPLGPRTDHY-UHFFFAOYSA-N 1 0 350.426 2.383 20 30 FEEDRO N#Cc1cc(N2CC[NH+]([C@@H]3CCNC(=O)CC3)CC2)ccc1C(F)(F)F ZINC000450890129 560276748 /nfs/dbraw/zinc/27/67/48/560276748.db2.gz FVVLCHCOBYBQOM-AWEZNQCLSA-N 1 0 366.387 2.368 20 30 FEEDRO CCC[NH+]1CCC(CNS(=O)(=O)Cc2ccc(F)cc2C#N)CC1 ZINC000451146730 560289845 /nfs/dbraw/zinc/28/98/45/560289845.db2.gz LWZPVNZVGDWZPB-UHFFFAOYSA-N 1 0 353.463 2.239 20 30 FEEDRO C[NH+](C)CCCOc1ccc(CNS(=O)(=O)CC2(CC#N)CC2)cc1 ZINC000451169615 560290995 /nfs/dbraw/zinc/29/09/95/560290995.db2.gz MGZOEUADLORZSX-UHFFFAOYSA-N 1 0 365.499 2.130 20 30 FEEDRO CN(CCC#N)C(=O)CC[NH2+][C@H](CCO)c1cccc(C(F)(F)F)c1 ZINC000451303001 560298981 /nfs/dbraw/zinc/29/89/81/560298981.db2.gz FXIWSPYADWYYFP-OAHLLOKOSA-N 1 0 357.376 2.481 20 30 FEEDRO N#CC1(NC(=O)C[NH2+][C@H](CCO)c2cccc(C(F)(F)F)c2)CCC1 ZINC000451314855 560299678 /nfs/dbraw/zinc/29/96/78/560299678.db2.gz XRTARLKNMCFFDY-CQSZACIVSA-N 1 0 355.360 2.281 20 30 FEEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+](C)[C@H](C)C(C)(C)O ZINC000451356465 560302461 /nfs/dbraw/zinc/30/24/61/560302461.db2.gz ASYFAIXPCKAIKZ-OAHLLOKOSA-N 1 0 364.490 2.043 20 30 FEEDRO COC(=O)[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000451593602 560316632 /nfs/dbraw/zinc/31/66/32/560316632.db2.gz SSEGZJOZWUHUPO-FGTMMUONSA-N 1 0 355.438 2.375 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]CC(=O)N(CCC)CC(=O)Nc1ccccc1C ZINC000451600226 560316895 /nfs/dbraw/zinc/31/68/95/560316895.db2.gz QXTMBMPQMZBSKW-MSOLQXFVSA-N 1 0 359.470 2.105 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]CC(=O)N1CCN([C@H](C)c2ccccc2)CC1 ZINC000451678540 560321537 /nfs/dbraw/zinc/32/15/37/560321537.db2.gz INTZVQLNQNOASI-RLLQIKCJSA-N 1 0 357.498 2.215 20 30 FEEDRO CSc1nc(C2CC2)cc(C(=O)NC[C@H]2CCCC[N@@H+]2CCO)c1C#N ZINC000452792485 560374220 /nfs/dbraw/zinc/37/42/20/560374220.db2.gz GHFXLKPCKDJHEJ-CQSZACIVSA-N 1 0 374.510 2.129 20 30 FEEDRO C=CCn1c(C(=O)NC(CC)CC)nnc1N1CC[NH+]([C@H](C)CC)CC1 ZINC000453444571 560386821 /nfs/dbraw/zinc/38/68/21/560386821.db2.gz NHAXCENVBBWVJC-OAHLLOKOSA-N 1 0 362.522 2.303 20 30 FEEDRO C=C(C)Cn1c([C@H](C)OCCOC)nnc1N1CC[NH+]([C@H](C)CC)CC1 ZINC000453450830 560386919 /nfs/dbraw/zinc/38/69/19/560386919.db2.gz IEZSCVWHZRGYJI-SJORKVTESA-N 1 0 365.522 2.499 20 30 FEEDRO C=CCn1c(Cn2nc(C)cc2C)nnc1N(C)[C@H]1CC[N@@H+](C(C)C)C1 ZINC000453450955 560386926 /nfs/dbraw/zinc/38/69/26/560386926.db2.gz RLBCVKYBINTKCC-KRWDZBQOSA-N 1 0 357.506 2.245 20 30 FEEDRO C=CCn1c(C(=O)NC(CC)CC)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC000453456242 560387111 /nfs/dbraw/zinc/38/71/11/560387111.db2.gz YLEYFAYQHLDAPV-UHFFFAOYSA-N 1 0 362.522 2.303 20 30 FEEDRO Cc1cc(C#N)cc(NC(=O)C(=O)N2CCC([NH+]3CCCCC3)CC2)c1 ZINC000453598720 560390435 /nfs/dbraw/zinc/39/04/35/560390435.db2.gz JPCLRQMGYGQZEU-UHFFFAOYSA-N 1 0 354.454 2.282 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)Nc1ccc2c(n1)CCC2)C(C)C ZINC000453608040 560391025 /nfs/dbraw/zinc/39/10/25/560391025.db2.gz ZURAZIILWZKWTE-SFHVURJKSA-N 1 0 370.497 2.324 20 30 FEEDRO Cc1nc(NC(=O)C(=O)NCC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)ccc1C#N ZINC000453612163 560391199 /nfs/dbraw/zinc/39/11/99/560391199.db2.gz AFBQWIAQJMGCNU-KBPBESRZSA-N 1 0 371.485 2.073 20 30 FEEDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)Nc1cccc(CC#N)c1 ZINC000453613683 560391319 /nfs/dbraw/zinc/39/13/19/560391319.db2.gz NUJKAAMYSJLPHN-OWCLPIDISA-N 1 0 356.470 2.174 20 30 FEEDRO N#CCc1cccc(NC(=O)C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)c1 ZINC000453659158 560394175 /nfs/dbraw/zinc/39/41/75/560394175.db2.gz OTCMDTDCWPVBST-SFHVURJKSA-N 1 0 354.454 2.072 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1ccccc1C(C)(F)F ZINC000453709124 560398563 /nfs/dbraw/zinc/39/85/63/560398563.db2.gz NIRMCWBXEDIFMG-UHFFFAOYSA-N 1 0 366.412 2.431 20 30 FEEDRO N#CCc1ccc(NC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)c(Cl)c1 ZINC000453712444 560398781 /nfs/dbraw/zinc/39/87/81/560398781.db2.gz SFZQISLLLFXVHA-OAHLLOKOSA-N 1 0 374.872 2.431 20 30 FEEDRO CC(C)(C)c1cc(C#N)c(NC(=O)C(=O)N[C@@H]2CCc3[nH]cnc3C2)s1 ZINC000453760488 560402305 /nfs/dbraw/zinc/40/23/05/560402305.db2.gz KIWDPKPZSHZUGA-LLVKDONJSA-N 1 0 371.466 2.253 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1NC(=O)NCc1cn2cc(Br)ccc2n1 ZINC000454360047 560441605 /nfs/dbraw/zinc/44/16/05/560441605.db2.gz SWKSOTYAPKCMLU-OLZOCXBDSA-N 1 0 365.231 2.240 20 30 FEEDRO CC[NH+](CC)CCN(CCOC)C(=O)Nc1cnc(C#N)c(Cl)c1 ZINC000455788122 560494699 /nfs/dbraw/zinc/49/46/99/560494699.db2.gz OAHHXQGBQJUUKN-UHFFFAOYSA-N 1 0 353.854 2.429 20 30 FEEDRO N#Cc1ncc(NC(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1Cl ZINC000455787101 560494730 /nfs/dbraw/zinc/49/47/30/560494730.db2.gz NCLJTYGTPILABW-ZDUSSCGKSA-N 1 0 363.849 2.183 20 30 FEEDRO CC(C)(Cc1ccc(C#N)cc1)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000455896401 560499487 /nfs/dbraw/zinc/49/94/87/560499487.db2.gz RYGCACQOXJVMRZ-UHFFFAOYSA-N 1 0 355.482 2.450 20 30 FEEDRO Cc1cc(C#N)cc(NC(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)c1 ZINC000455949285 560501733 /nfs/dbraw/zinc/50/17/33/560501733.db2.gz CSOZTDJXVLFCOF-APWZRJJASA-N 1 0 355.486 2.356 20 30 FEEDRO CC(C)(CC#N)CNC(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000457726783 560584222 /nfs/dbraw/zinc/58/42/22/560584222.db2.gz WZJVNYRJTIMBCZ-UHFFFAOYSA-N 1 0 357.502 2.438 20 30 FEEDRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(Cc2c(C#N)cccc2[N+](=O)[O-])CC1 ZINC000459307987 560678864 /nfs/dbraw/zinc/67/88/64/560678864.db2.gz AVYUUNCJDLCBED-CALCHBBNSA-N 1 0 371.485 2.457 20 30 FEEDRO CCOC(=O)c1noc(CN2CCC(Oc3cccc(C#N)c3)CC2)n1 ZINC000459339194 560681059 /nfs/dbraw/zinc/68/10/59/560681059.db2.gz NKDXDIMQMYXVRO-UHFFFAOYSA-N 1 0 356.382 2.161 20 30 FEEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N1C[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC000459855649 560713826 /nfs/dbraw/zinc/71/38/26/560713826.db2.gz BFMLIOWWKXZWBS-OCCSQVGLSA-N 1 0 367.902 2.079 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000459863398 560714570 /nfs/dbraw/zinc/71/45/70/560714570.db2.gz FUVJTFSPDVEDOI-UHFFFAOYSA-N 1 0 361.511 2.350 20 30 FEEDRO CC[C@H]1CCCN(C(=O)C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)C1 ZINC000459931525 560721016 /nfs/dbraw/zinc/72/10/16/560721016.db2.gz XFGUGPDIWCBSDN-KRWDZBQOSA-N 1 0 370.497 2.097 20 30 FEEDRO Cc1oc2ccccc2c1CC(=O)N(CCC#N)CCN1CCOCC1 ZINC000464568447 560845529 /nfs/dbraw/zinc/84/55/29/560845529.db2.gz KJHGENRNTPDFKP-UHFFFAOYSA-N 1 0 355.438 2.358 20 30 FEEDRO CCS(=O)(=O)c1cccc(C[NH2+]Cc2cnc3ccc(C#N)cn23)c1 ZINC000466415392 560886503 /nfs/dbraw/zinc/88/65/03/560886503.db2.gz OGDDIWLUXYRHFP-UHFFFAOYSA-N 1 0 354.435 2.289 20 30 FEEDRO COc1cc(C#N)ccc1OCCCC(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000467022457 560901815 /nfs/dbraw/zinc/90/18/15/560901815.db2.gz IOSAOSGOWRJFBK-WMLDXEAASA-N 1 0 357.454 2.325 20 30 FEEDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C ZINC000468472059 560930804 /nfs/dbraw/zinc/93/08/04/560930804.db2.gz ZQAABUUNAGMECK-AUUYWEPGSA-N 1 0 351.491 2.485 20 30 FEEDRO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCN(C)C[C@H]2C(C)C)c(OC)c1 ZINC000471211241 561000717 /nfs/dbraw/zinc/00/07/17/561000717.db2.gz ILBPLRQUQQWPMM-MOPGFXCFSA-N 1 0 362.514 2.435 20 30 FEEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](OCc2ccccc2)C1(C)C ZINC000471855042 561013112 /nfs/dbraw/zinc/01/31/12/561013112.db2.gz DQEMUSOPJVBXHS-BHYGNILZSA-N 1 0 359.470 2.360 20 30 FEEDRO CC[NH+](CC)CCO[C@@H]1CCN([C@@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000472265763 561022385 /nfs/dbraw/zinc/02/23/85/561022385.db2.gz YYRCVCVDAZOFSA-QFBILLFUSA-N 1 0 358.486 2.318 20 30 FEEDRO CC[NH+](CC)CCO[C@H]1CCN([C@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000472284155 561023147 /nfs/dbraw/zinc/02/31/47/561023147.db2.gz KSFVPMXVDJSMIK-MSOLQXFVSA-N 1 0 364.534 2.150 20 30 FEEDRO O=C(Nc1ccccc1C#Cc1ccccc1)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000473338360 561047798 /nfs/dbraw/zinc/04/77/98/561047798.db2.gz XWPWQPBZMMRTAR-IBGZPJMESA-N 1 0 373.456 2.378 20 30 FEEDRO C[NH+](C)C1(CNC(=O)[C@H]2CCC(=O)N2Cc2cccc(C#N)c2)CCCC1 ZINC000473397951 561049538 /nfs/dbraw/zinc/04/95/38/561049538.db2.gz GGLHLLOIZQPZSZ-GOSISDBHSA-N 1 0 368.481 2.040 20 30 FEEDRO COC(=O)COc1ccc(C[NH2+]Cc2cccc(C#N)c2)cc1[N+](=O)[O-] ZINC000474357389 561071946 /nfs/dbraw/zinc/07/19/46/561071946.db2.gz SNNQJYZLMWUNFN-UHFFFAOYSA-N 1 0 355.350 2.308 20 30 FEEDRO CC1CC[NH+](Cc2cccc(CNC(=O)c3cnn(C)c3C#N)c2)CC1 ZINC000475529016 561099420 /nfs/dbraw/zinc/09/94/20/561099420.db2.gz KTYAAYRXRIBTCT-UHFFFAOYSA-N 1 0 351.454 2.454 20 30 FEEDRO C[C@@H](C[NH+]1CCCCCC1)NS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000476580751 561123241 /nfs/dbraw/zinc/12/32/41/561123241.db2.gz MPFFDCJHMSVFBA-ZDUSSCGKSA-N 1 0 366.443 2.009 20 30 FEEDRO CO[C@H](Cc1ccc(F)cc1)C[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000528339907 562323595 /nfs/dbraw/zinc/32/35/95/562323595.db2.gz IECZRFUALWKQQA-LJQANCHMSA-N 1 0 354.429 2.472 20 30 FEEDRO N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@H](OCC(F)(F)F)C1 ZINC000528386818 562326183 /nfs/dbraw/zinc/32/61/83/562326183.db2.gz JSUZIJVAJGMGMI-GJZGRUSLSA-N 1 0 358.360 2.341 20 30 FEEDRO O=C1c2ccccc2C(=O)N1CC#CC[N@@H+]1C[C@H](O)C[C@H]1c1ccccc1 ZINC000528525158 562334046 /nfs/dbraw/zinc/33/40/46/562334046.db2.gz MIGYJAWLYANDEA-XLIONFOSSA-N 1 0 360.413 2.094 20 30 FEEDRO CC1(N2CCOCC2)CC[NH+](CCC(=O)Nc2ccccc2C#N)CC1 ZINC000528728754 562344268 /nfs/dbraw/zinc/34/42/68/562344268.db2.gz NUAZDGIHLJRKNA-UHFFFAOYSA-N 1 0 356.470 2.074 20 30 FEEDRO COCc1ccc(NC(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)cc1C#N ZINC000529204351 562364419 /nfs/dbraw/zinc/36/44/19/562364419.db2.gz AEQRFNWHZLMJKB-MRXNPFEDSA-N 1 0 372.469 2.281 20 30 FEEDRO CN(CCO)Cc1cc(NC(=O)Cc2ccc(C#N)nc2)ccc1Cl ZINC000529250591 562366248 /nfs/dbraw/zinc/36/62/48/562366248.db2.gz LTDPYIOPSNANKL-UHFFFAOYSA-N 1 0 358.829 2.212 20 30 FEEDRO N#Cc1ccc(OC2CCC(NC(=O)N[C@@H]3CC[NH2+]C34CCC4)CC2)nc1 ZINC000529325173 562369586 /nfs/dbraw/zinc/36/95/86/562369586.db2.gz XWHGNRMQWAQUCO-OFLPRAFFSA-N 1 0 369.469 2.227 20 30 FEEDRO CC(C)C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@@H]1CCCN(O)C1=O ZINC000529426145 562373597 /nfs/dbraw/zinc/37/35/97/562373597.db2.gz GAXMQFRQDPOPJE-GUDVDZBRSA-N 1 0 373.497 2.277 20 30 FEEDRO CCC(C#N)(CC)C(=O)NCc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000529492722 562375332 /nfs/dbraw/zinc/37/53/32/562375332.db2.gz PNIMEKJCGKPXKA-UHFFFAOYSA-N 1 0 370.497 2.330 20 30 FEEDRO C[C@@H](Oc1ccccc1C#N)C(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000529913304 562391028 /nfs/dbraw/zinc/39/10/28/562391028.db2.gz GTZAYDNMSREMFA-MRXNPFEDSA-N 1 0 357.454 2.039 20 30 FEEDRO Cc1ccc(N2CC[C@@H]([NH2+]C[C@@H](O)COc3ccccc3C#N)C2=O)cc1 ZINC000530229902 562403150 /nfs/dbraw/zinc/40/31/50/562403150.db2.gz BFXDPYZNBOLABH-RTBURBONSA-N 1 0 365.433 2.002 20 30 FEEDRO CCC(CC)C(=O)N1CCC([NH2+]C[C@H](O)COc2ccccc2C#N)CC1 ZINC000530231097 562403158 /nfs/dbraw/zinc/40/31/58/562403158.db2.gz MDGNKSYBVHUDIU-IBGZPJMESA-N 1 0 373.497 2.315 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+]C[C@@H]2CCN2C2CCCCC2)cc1 ZINC000530237456 562403389 /nfs/dbraw/zinc/40/33/89/562403389.db2.gz VTULOTRMHVVWNJ-SFHVURJKSA-N 1 0 361.511 2.329 20 30 FEEDRO COCCC(=O)N1CCC([NH2+]Cc2cccc(OCCCC#N)c2)CC1 ZINC000532628257 562483717 /nfs/dbraw/zinc/48/37/17/562483717.db2.gz JUKPRKOYJPIEAF-UHFFFAOYSA-N 1 0 359.470 2.486 20 30 FEEDRO COC(=O)CC1([NH2+]CCS(=O)(=O)c2cccc(C#N)c2)CCCCC1 ZINC000532827045 562489930 /nfs/dbraw/zinc/48/99/30/562489930.db2.gz GNXDIHZHBVKEFS-UHFFFAOYSA-N 1 0 364.467 2.188 20 30 FEEDRO N#Cc1ccc(OCc2ccc(C(=O)NCCNc3cc[nH+]cc3)o2)cc1 ZINC000534523957 562535907 /nfs/dbraw/zinc/53/59/07/562535907.db2.gz VEJXCTSOLMFZFU-UHFFFAOYSA-N 1 0 362.389 2.389 20 30 FEEDRO CCC[C@@H]1CN(Cc2cccc(C(=O)OC)c2C#N)CC[N@@H+]1CCOC ZINC000535755897 562566848 /nfs/dbraw/zinc/56/68/48/562566848.db2.gz VGFLUIXXEZPWTC-QGZVFWFLSA-N 1 0 359.470 2.278 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(C)n([C@H](C)C3CC3)n2)c1C#N ZINC000540819901 562593868 /nfs/dbraw/zinc/59/38/68/562593868.db2.gz MAGSWJOXEFUODI-GFCCVEGCSA-N 1 0 355.446 2.162 20 30 FEEDRO C[NH+](C)CC1(NS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)CCC1 ZINC000545490723 562628093 /nfs/dbraw/zinc/62/80/93/562628093.db2.gz NWCXGDCBQKBYRG-UHFFFAOYSA-N 1 0 361.389 2.340 20 30 FEEDRO C=CCOc1ccccc1CNC(=O)C(=O)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000636699238 567837576 /nfs/dbraw/zinc/83/75/76/567837576.db2.gz RNRLOMDLQHENPJ-GOSISDBHSA-N 1 0 371.481 2.001 20 30 FEEDRO N#CCN1CCC([NH2+]C[C@H](O)COc2cc(Cl)cc(Cl)c2)CC1 ZINC000601967195 567889529 /nfs/dbraw/zinc/88/95/29/567889529.db2.gz UUOGZMSXVJFSSY-HNNXBMFYSA-N 1 0 358.269 2.311 20 30 FEEDRO Cc1ccc2cnccc2c1NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C ZINC000602034355 567915925 /nfs/dbraw/zinc/91/59/25/567915925.db2.gz OIVMMCAYXCNQMX-UHFFFAOYSA-N 1 0 367.453 2.176 20 30 FEEDRO C[NH+](C)CC1(C(=O)N2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)CC1 ZINC000602143199 567935847 /nfs/dbraw/zinc/93/58/47/567935847.db2.gz JSJFDFFMHJZIEH-KRWDZBQOSA-N 1 0 360.889 2.391 20 30 FEEDRO C[NH+](C)[C@H](CNC(=O)N1CCN(CCC#N)CC1)c1ccc(Cl)cc1 ZINC000602264979 567961383 /nfs/dbraw/zinc/96/13/83/567961383.db2.gz DBIBTFSHFOPUHB-QGZVFWFLSA-N 1 0 363.893 2.184 20 30 FEEDRO N#CCCCC[C@H]([NH3+])C(=O)N[C@H]1CCN(c2ccc(Cl)cc2F)C1=O ZINC000602543498 567989878 /nfs/dbraw/zinc/98/98/78/567989878.db2.gz BPUDEICYKOPASJ-KBPBESRZSA-N 1 0 366.824 2.112 20 30 FEEDRO C=CC[C@]1(C(=O)Nc2ccc(O[C@@H](C)C(=O)OC)c(F)c2)CCC[NH2+]1 ZINC000602550780 567990729 /nfs/dbraw/zinc/99/07/29/567990729.db2.gz MYBWVDQIURJJAF-KPZWWZAWSA-N 1 0 350.390 2.403 20 30 FEEDRO N#CCCC[C@@H]([NH3+])C(=O)N1CCc2cc(F)cc(Br)c2C1 ZINC000602573038 567996367 /nfs/dbraw/zinc/99/63/67/567996367.db2.gz XDJGHFHNORFOMH-CQSZACIVSA-N 1 0 354.223 2.494 20 30 FEEDRO C[C@H]1C[NH+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@H](C)N1CC#N ZINC000602864378 568007791 /nfs/dbraw/zinc/00/77/91/568007791.db2.gz QKKRCWGSQBXRFQ-KBPBESRZSA-N 1 0 359.861 2.458 20 30 FEEDRO Cc1ccc(NC(=O)N2C[C@@H](C)N(CC#N)[C@H](C)C2)c(OCC[NH+](C)C)c1 ZINC000602865289 568008110 /nfs/dbraw/zinc/00/81/10/568008110.db2.gz RSRQLRRJNHZDGB-IAGOWNOFSA-N 1 0 373.501 2.386 20 30 FEEDRO N#CCC1(CN2CCC[C@@H](NS(=O)(=O)c3cccc(F)c3)C2)CC1 ZINC000602791027 568041325 /nfs/dbraw/zinc/04/13/25/568041325.db2.gz BTZQGEPLBKILPP-OAHLLOKOSA-N 1 0 351.447 2.262 20 30 FEEDRO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)n1cc(C[C@H]2CC[NH2+]C2)nn1 ZINC000603192835 568072262 /nfs/dbraw/zinc/07/22/62/568072262.db2.gz ARUPEALOMCKHBO-LSDHHAIUSA-N 1 0 370.432 2.077 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+]CCC2Cc3ccccc3C2)nc1 ZINC000568620642 568099740 /nfs/dbraw/zinc/09/97/40/568099740.db2.gz IEPSFVUYKWHGOW-UHFFFAOYSA-N 1 0 355.463 2.122 20 30 FEEDRO COc1ccc(CC[NH2+]C[C@H](O)COc2ccc(C#N)cc2)c(OC)c1 ZINC000568975718 568259975 /nfs/dbraw/zinc/25/99/75/568259975.db2.gz KIZPCNIKSHIWCP-KRWDZBQOSA-N 1 0 356.422 2.147 20 30 FEEDRO C[C@@H](C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000604561149 568311527 /nfs/dbraw/zinc/31/15/27/568311527.db2.gz WTMGQJXBSMYAMV-KFWWJZLASA-N 1 0 371.485 2.334 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1sccc1-c1nn[nH]n1)C(C)C ZINC000735419619 598811652 /nfs/dbraw/zinc/81/16/52/598811652.db2.gz YEEGAIJRWALOOT-AWEZNQCLSA-N 1 0 360.487 2.357 20 30 FEEDRO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)c1ccc(N(C)C)cc1 ZINC000808747778 674470584 /nfs/dbraw/zinc/47/05/84/674470584.db2.gz BXQBKJWJSIUGAL-CQSZACIVSA-N 1 0 358.467 2.144 20 30 FEEDRO C[NH+](C)CC1(NS(=O)(=O)c2cccc(Br)c2C#N)CCC1 ZINC000557853173 674471393 /nfs/dbraw/zinc/47/13/93/674471393.db2.gz SOFLFERWSKYYKB-UHFFFAOYSA-N 1 0 372.288 2.083 20 30 FEEDRO C#CC[N@H+](CC)CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CC[C@H](C)C2 ZINC000819702202 606075045 /nfs/dbraw/zinc/07/50/45/606075045.db2.gz SWLNWRSWKCIYOX-LBPRGKRZSA-N 1 0 372.498 2.337 20 30 FEEDRO N#Cc1ccc([C@H](O)C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C2CC2)cc1 ZINC000822825952 606890317 /nfs/dbraw/zinc/89/03/17/606890317.db2.gz RDZHFESVDUSOHG-LJQANCHMSA-N 1 0 360.421 2.436 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N(C)[C@@H]1CC(C)(C)OC1=O)C(C)C ZINC000813582096 674760455 /nfs/dbraw/zinc/76/04/55/674760455.db2.gz FOPGPVFNHYZDQX-HZPDHXFCSA-N 1 0 351.491 2.421 20 30 FEEDRO C[C@@H]1CCC[C@H](NC(=S)NN=C2CC[NH+](CC(C)(C)O)CC2)[C@H]1C ZINC000814215216 674826837 /nfs/dbraw/zinc/82/68/37/674826837.db2.gz MQFXFZREXJDLBI-YCPHGPKFSA-N 1 0 354.564 2.498 20 30 FEEDRO C[C@@H](Cc1ccc(Br)cc1)[NH2+]C[C@H](O)CN(C)CCC#N ZINC000563347353 674875365 /nfs/dbraw/zinc/87/53/65/674875365.db2.gz PGPVJBCKYHIRRI-BBRMVZONSA-N 1 0 354.292 2.176 20 30 FEEDRO COC(=O)CCC[C@H]1CCCC(=NNC(=S)NCCC[NH+](C)C)C1 ZINC000814845758 674883558 /nfs/dbraw/zinc/88/35/58/674883558.db2.gz UYPGXIWCPCCEFE-CQSZACIVSA-N 1 0 356.536 2.292 20 30 FEEDRO C#CCNC(=O)CC[NH+]1CCC([C@H]2C(=O)Nc3cc(Cl)ccc32)CC1 ZINC000815035998 674904431 /nfs/dbraw/zinc/90/44/31/674904431.db2.gz IVUFLSWTZTUCQQ-GOSISDBHSA-N 1 0 359.857 2.227 20 30 FEEDRO C#CC[N@H+](C)CCCNS(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC000815082356 674914125 /nfs/dbraw/zinc/91/41/25/674914125.db2.gz MNAUMQCUIJJOMN-UHFFFAOYSA-N 1 0 352.353 2.078 20 30 FEEDRO C#CCN(C)CCC[NH2+][C@H](CC)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000815652401 674963869 /nfs/dbraw/zinc/96/38/69/674963869.db2.gz ATHAXBWDGCSCGK-MRXNPFEDSA-N 1 0 371.934 2.244 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H](C)COC ZINC001048526066 675008948 /nfs/dbraw/zinc/00/89/48/675008948.db2.gz NMDPQJYFUGGGJA-UESMBRTFSA-N 1 0 350.503 2.362 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[C@H](C[NH2+]Cc2csnn2)CC1 ZINC001048615162 675012057 /nfs/dbraw/zinc/01/20/57/675012057.db2.gz MKZBGLWXZNAMSJ-SRABZTEZSA-N 1 0 364.515 2.141 20 30 FEEDRO C[NH+](C)[C@H](CNC(=O)NCCNc1ncccc1C#N)c1ccsc1 ZINC000046346790 670221363 /nfs/dbraw/zinc/22/13/63/670221363.db2.gz FZLNSSHCPBQAMX-OAHLLOKOSA-N 1 0 358.471 2.029 20 30 FEEDRO C[C@@H](CC#N)N(C)S(=O)(=O)NC[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000565083676 675093583 /nfs/dbraw/zinc/09/35/83/675093583.db2.gz OFAIGPULWOBLSN-ZFWWWQNUSA-N 1 0 372.922 2.054 20 30 FEEDRO CC(C)(C)[NH+]1CCC(N=Nc2ccc(S(=O)(=O)NC3CC3)cn2)CC1 ZINC000060808383 670389206 /nfs/dbraw/zinc/38/92/06/670389206.db2.gz RDYBLQNPKSUFRP-UHFFFAOYSA-N 1 0 365.503 2.185 20 30 FEEDRO CSc1ccc(CONC(N)=C2C(=[NH2+])C3(CCCC3)N(C)C2=O)cc1 ZINC000063456292 670407068 /nfs/dbraw/zinc/40/70/68/670407068.db2.gz CGQKPFGJDFZONR-UHFFFAOYSA-N 1 0 360.483 2.195 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)NCCOc2ccc(Br)cc2)CC1 ZINC000068270173 670468519 /nfs/dbraw/zinc/46/85/19/670468519.db2.gz MJSWWMSECDKTIK-UHFFFAOYSA-N 1 0 365.271 2.289 20 30 FEEDRO C[NH+]=C(NCCc1cc(Br)ccc1F)NC[C@H]1CCCO1 ZINC000072756880 670497802 /nfs/dbraw/zinc/49/78/02/670497802.db2.gz INEUCEHLARMEOL-CYBMUJFWSA-N 1 0 358.255 2.475 20 30 FEEDRO C[NH+]=C(NCCS(=O)(=O)c1ccc(Cl)cc1)N1CCC[C@H](C)C1 ZINC000072891990 670498489 /nfs/dbraw/zinc/49/84/89/670498489.db2.gz PESJQERBZYRPCK-ZDUSSCGKSA-N 1 0 357.907 2.421 20 30 FEEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1S[C@H]1CCCCNC1=O ZINC000078384309 670585824 /nfs/dbraw/zinc/58/58/24/670585824.db2.gz LJFFMXBHDRVGGG-HNNXBMFYSA-N 1 0 363.531 2.253 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]CC(=O)Nc1ccc2[nH]c(C(F)(F)F)nc2c1 ZINC000570017883 670647792 /nfs/dbraw/zinc/64/77/92/670647792.db2.gz ICKIZWXWKPFZCH-YPMHNXCESA-N 1 0 354.332 2.453 20 30 FEEDRO CCc1nc(CNC(NC2CCN(c3ccccn3)CC2)=[NH+]C)cs1 ZINC000085991056 670683171 /nfs/dbraw/zinc/68/31/71/670683171.db2.gz TWITWHNVJSLBRN-UHFFFAOYSA-N 1 0 358.515 2.435 20 30 FEEDRO C=CCn1c(CC[NH+]2CCCCC2)nn(CN(C)[C@H]2CCOC2)c1=S ZINC000106858021 670814940 /nfs/dbraw/zinc/81/49/40/670814940.db2.gz CMEBPRJARMNJQW-INIZCTEOSA-N 1 0 365.547 2.307 20 30 FEEDRO CC1CCN([C@@H](C[NH2+]C[C@H](O)CN(C)CCC#N)c2cccs2)CC1 ZINC000565762837 675149551 /nfs/dbraw/zinc/14/95/51/675149551.db2.gz ZCUQHXYKEDTNJO-ROUUACIJSA-N 1 0 364.559 2.317 20 30 FEEDRO C=CC[C@H](C)NC(=O)C(=O)Nc1ccc(N2CCN(C)CC2)c(Cl)c1 ZINC000117078056 670911651 /nfs/dbraw/zinc/91/16/51/670911651.db2.gz ABTOHOSTPLAKMC-ZDUSSCGKSA-N 1 0 364.877 2.111 20 30 FEEDRO C=CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[NH+](CC)CC1 ZINC000572325789 670987143 /nfs/dbraw/zinc/98/71/43/670987143.db2.gz QXCKXLFXFBQLPY-UHFFFAOYSA-N 1 0 365.279 2.364 20 30 FEEDRO N#Cc1ccccc1CSCCNC(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000573223535 671097014 /nfs/dbraw/zinc/09/70/14/671097014.db2.gz DFTTUCXONYSMFF-BPQIPLTHSA-N 1 0 358.511 2.479 20 30 FEEDRO N#C[C@H](c1cccs1)N1CCN(C(=O)C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)CC1 ZINC000566054767 675176239 /nfs/dbraw/zinc/17/62/39/675176239.db2.gz WSXLIQMWSQDPKA-LTIDMASMSA-N 1 0 358.511 2.235 20 30 FEEDRO CC(C)(C)c1cc(C#N)c(NC(=O)C(=O)N2CCC(CC[NH3+])CC2)s1 ZINC000574333181 671227617 /nfs/dbraw/zinc/22/76/17/671227617.db2.gz NHJCANXIOGGNAM-UHFFFAOYSA-N 1 0 362.499 2.443 20 30 FEEDRO C=CCN1C(=S)N=NC1c1sc(NC(=O)CC2(C[NH3+])CC2)nc1C ZINC000817911349 675186038 /nfs/dbraw/zinc/18/60/38/675186038.db2.gz KPGKNWCNFRUCFO-UHFFFAOYSA-N 1 0 364.500 2.252 20 30 FEEDRO CN(CCC#N)C[C@@H](O)C[NH2+]CCCc1ccc(Br)cc1F ZINC000575040169 671294403 /nfs/dbraw/zinc/29/44/03/671294403.db2.gz MNQMQOHSXSKPND-HNNXBMFYSA-N 1 0 372.282 2.317 20 30 FEEDRO COc1cc(C[NH+]2CCC(C(=O)NCC(F)(F)F)CC2)ccc1C#N ZINC000575824509 671323771 /nfs/dbraw/zinc/32/37/71/671323771.db2.gz DTLFXZGHKDZGDI-UHFFFAOYSA-N 1 0 355.360 2.457 20 30 FEEDRO CC(C)C[C@@](C)(C[NH3+])NS(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000566215577 675194452 /nfs/dbraw/zinc/19/44/52/675194452.db2.gz AMMOZNROMVPPJX-AWEZNQCLSA-N 1 0 374.304 2.363 20 30 FEEDRO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1sccc1C#N)c1ccc(F)cc1 ZINC000577722795 671616028 /nfs/dbraw/zinc/61/60/28/671616028.db2.gz MCRIELQTULAXMT-CQSZACIVSA-N 1 0 360.414 2.116 20 30 FEEDRO COC(=O)c1cccc(C[N@H+](C)CCCc2[nH]nc(N)c2C#N)c1Cl ZINC000577974236 671631996 /nfs/dbraw/zinc/63/19/96/671631996.db2.gz SHKGBNUDNBTIIH-UHFFFAOYSA-N 1 0 361.833 2.368 20 30 FEEDRO CN(CCC#N)C[C@H](O)C[NH2+][C@H]1CCOc2c(Br)cccc21 ZINC000578620106 671677733 /nfs/dbraw/zinc/67/77/33/671677733.db2.gz OVZFMJPDMIQBRO-DOMZBBRYSA-N 1 0 368.275 2.069 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1C(F)(F)F ZINC000578651025 671680379 /nfs/dbraw/zinc/68/03/79/671680379.db2.gz YAOUVQZHGWSFPB-BETUJISGSA-N 1 0 373.400 2.197 20 30 FEEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(OCC2CCCCC2)CC1 ZINC000579191224 671717957 /nfs/dbraw/zinc/71/79/57/671717957.db2.gz PBEVJSNLWNHNNU-OAHLLOKOSA-N 1 0 351.491 2.448 20 30 FEEDRO CCN(CCC#N)C(=O)C[NH2+][C@](C)(CO)c1cccc(C(F)(F)F)c1 ZINC000609799671 675936641 /nfs/dbraw/zinc/93/66/41/675936641.db2.gz BJYGWEZCMAISES-MRXNPFEDSA-N 1 0 357.376 2.265 20 30 FEEDRO Cn1ccnc1[C@H](CC(=O)N(CCC#N)CCC[NH+](C)C)C(F)(F)F ZINC000579729838 671756731 /nfs/dbraw/zinc/75/67/31/671756731.db2.gz OFKZLXMOTCHJDT-ZDUSSCGKSA-N 1 0 359.396 2.150 20 30 FEEDRO C[NH+]=C(NCc1ccc(Br)cc1N1CCOCC1)NC1CC1 ZINC000119068967 671891711 /nfs/dbraw/zinc/89/17/11/671891711.db2.gz IBFGFGJKXVBGCO-UHFFFAOYSA-N 1 0 367.291 2.113 20 30 FEEDRO COc1ccc(SCCC(=O)NC2(C#N)CC[NH+](C)CC2)cc1OC ZINC000610130195 675955514 /nfs/dbraw/zinc/95/55/14/675955514.db2.gz XLLFYTLASVJTQV-UHFFFAOYSA-N 1 0 363.483 2.290 20 30 FEEDRO C=CCNC(=O)NC(=O)C[N@@H+](CCC)[C@@H]1C[C@@H](OCC)C12CCCC2 ZINC000610134193 675955962 /nfs/dbraw/zinc/95/59/62/675955962.db2.gz USHBPRLRIBMNGG-HZPDHXFCSA-N 1 0 351.491 2.448 20 30 FEEDRO CC[NH+](CC)CC#C[C@H](C)OC(=O)c1ccc(S(=O)(=O)CC)cc1 ZINC000121416503 671949009 /nfs/dbraw/zinc/94/90/09/671949009.db2.gz DSISLDRSUZUWGY-HNNXBMFYSA-N 1 0 351.468 2.371 20 30 FEEDRO CC[NH+](CC)CC#C[C@H](C)OC(=O)c1cc(S(C)(=O)=O)ccc1C ZINC000121515884 671951384 /nfs/dbraw/zinc/95/13/84/671951384.db2.gz MTJXDZTWMBKHHV-HNNXBMFYSA-N 1 0 351.468 2.289 20 30 FEEDRO CC[C@@H]1CN(C(NCC(=O)Nc2ccc(F)c(F)c2F)=[NH+]C)CCS1 ZINC000124390505 671996347 /nfs/dbraw/zinc/99/63/47/671996347.db2.gz RGSMDKCSKUZYRY-SNVBAGLBSA-N 1 0 374.432 2.445 20 30 FEEDRO N#Cc1c(F)cccc1S(=O)(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000125148318 672007544 /nfs/dbraw/zinc/00/75/44/672007544.db2.gz FWVMQUKHUSPGER-UHFFFAOYSA-N 1 0 351.447 2.383 20 30 FEEDRO CN(C)[C@@H](C[NH2+]C[C@H](O)COc1ccc(CC#N)cc1)c1ccsc1 ZINC000582565056 672013524 /nfs/dbraw/zinc/01/35/24/672013524.db2.gz GBQQYOBHOZVGLI-HKUYNNGSSA-N 1 0 359.495 2.446 20 30 FEEDRO Cc1nc(C)c(CNC(NCC(=O)N(C)C)=[NH+][C@@H]2CCCC[C@H]2C)s1 ZINC000127802896 672041709 /nfs/dbraw/zinc/04/17/09/672041709.db2.gz CUYZUZGAMVIRJB-IUODEOHRSA-N 1 0 365.547 2.462 20 30 FEEDRO CSC[C@@H]1CCC[N@@H+]1CN1CC(=O)N(Cc2ccc(C#N)cc2)C1=O ZINC000130948071 672081578 /nfs/dbraw/zinc/08/15/78/672081578.db2.gz PZLUWXBAEZELSH-INIZCTEOSA-N 1 0 358.467 2.107 20 30 FEEDRO Cc1cc(C[NH2+][C@H]2CCN(S(=O)(=O)c3ccccc3)C2)ccc1C#N ZINC000583716199 672119982 /nfs/dbraw/zinc/11/99/82/672119982.db2.gz RXTMIYWMMDLVKK-SFHVURJKSA-N 1 0 355.463 2.420 20 30 FEEDRO CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)Nc2cnc(C#N)c(Cl)c2)C1 ZINC000583736507 672121425 /nfs/dbraw/zinc/12/14/25/672121425.db2.gz HXSNFPNXAWLCQP-KBPBESRZSA-N 1 0 363.849 2.324 20 30 FEEDRO C=CCN1C(=S)N=NC1c1sc(NC(=O)C[C@H]2CCC[NH2+]2)nc1C ZINC000150896779 672153982 /nfs/dbraw/zinc/15/39/82/672153982.db2.gz IGCFTSSODRUCAQ-SNVBAGLBSA-N 1 0 364.500 2.265 20 30 FEEDRO CS(=O)(=O)CCCCON=C(N)c1cccc(C[NH+]2CCCCC2)c1 ZINC000153412198 672198140 /nfs/dbraw/zinc/19/81/40/672198140.db2.gz PJZYYCKNBVZURO-UHFFFAOYSA-N 1 0 367.515 2.134 20 30 FEEDRO CC[NH+]=C(NCCNC(=O)C1CC1)N1CCSC2(CCCCC2)C1 ZINC000153557305 672200798 /nfs/dbraw/zinc/20/07/98/672200798.db2.gz NZVUKMWOUMKPFA-UHFFFAOYSA-N 1 0 352.548 2.230 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)[C@H]2CCC[C@H]2NC(=O)OC(C)(C)C)CC1 ZINC000172542733 672342720 /nfs/dbraw/zinc/34/27/20/672342720.db2.gz YTMPGJLSXJMHEY-JKSUJKDBSA-N 1 0 351.491 2.446 20 30 FEEDRO N#Cc1c(Cl)cccc1S(=O)(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000178517033 672392062 /nfs/dbraw/zinc/39/20/62/672392062.db2.gz GFXUASSNLSJNGF-UHFFFAOYSA-N 1 0 353.875 2.364 20 30 FEEDRO C[NH+]=C(NCc1cc(C)no1)N1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000179132747 672399143 /nfs/dbraw/zinc/39/91/43/672399143.db2.gz VLFFSURDFFFMKL-INIZCTEOSA-N 1 0 350.463 2.109 20 30 FEEDRO CN(CCC#N)C(=O)CC[N@@H+]1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000181556645 672427876 /nfs/dbraw/zinc/42/78/76/672427876.db2.gz VEOOTSAEFWDJOY-HNNXBMFYSA-N 1 0 352.479 2.080 20 30 FEEDRO COCC#CC[NH2+][C@](C)(CC(=O)OC)c1ccc(Br)cc1 ZINC000586782545 672434381 /nfs/dbraw/zinc/43/43/81/672434381.db2.gz WGAZKYFVJXZPLX-MRXNPFEDSA-N 1 0 354.244 2.467 20 30 FEEDRO C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N(C)CCCC[NH+](C)C)cc1 ZINC000588292330 672461611 /nfs/dbraw/zinc/46/16/11/672461611.db2.gz FDNAJYVQMMNSKA-CQSZACIVSA-N 1 0 366.487 2.178 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000189278277 672612441 /nfs/dbraw/zinc/61/24/41/672612441.db2.gz ODMLEGARLSBYCY-OAHLLOKOSA-N 1 0 351.491 2.400 20 30 FEEDRO CN(CCC#N)C[C@@H](O)C[NH2+][C@@H]1CCOc2ccc(Br)cc21 ZINC000591240860 672660741 /nfs/dbraw/zinc/66/07/41/672660741.db2.gz SDAJWHJMZZDDOW-DZGCQCFKSA-N 1 0 368.275 2.069 20 30 FEEDRO C[C@H]([NH3+])[C@@H]1CN(C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)CCO1 ZINC000591305246 672667464 /nfs/dbraw/zinc/66/74/64/672667464.db2.gz ODOCMODMLLZWDE-ZANVPECISA-N 1 0 358.320 2.037 20 30 FEEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CCC(C)([NH3+])CC1 ZINC000591303243 672667601 /nfs/dbraw/zinc/66/76/01/672667601.db2.gz PJFWTHIOKTXDKF-ZDUSSCGKSA-N 1 0 360.483 2.217 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1C[C@@H](C)[C@H](C(=O)OC)C1)C(C)C ZINC000591912532 672720869 /nfs/dbraw/zinc/72/08/69/672720869.db2.gz VSOCMFRSRHIAAL-ZACQAIPSSA-N 1 0 351.491 2.136 20 30 FEEDRO N#CC[C@]1(O)CCN(C(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)C1 ZINC000591938707 672724145 /nfs/dbraw/zinc/72/41/45/672724145.db2.gz KGLAIFFTKIHHNG-QAPCUYQASA-N 1 0 362.499 2.020 20 30 FEEDRO N#CC[C@]1(O)CC[N@H+](CCC(=O)Nc2ccc(Br)cc2)C1 ZINC000592146838 672764109 /nfs/dbraw/zinc/76/41/09/672764109.db2.gz KVEKQMIPSDMWBV-HNNXBMFYSA-N 1 0 352.232 2.128 20 30 FEEDRO CCS(=O)(=O)N1CCC([NH2+]Cc2cccc(OCCCC#N)c2)CC1 ZINC000237031236 672806203 /nfs/dbraw/zinc/80/62/03/672806203.db2.gz XHPGIHAIQYKLRA-UHFFFAOYSA-N 1 0 365.499 2.273 20 30 FEEDRO N#Cc1cnn2c1NC[C@@H](C[N@H+]1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1)C2 ZINC000592505078 672809497 /nfs/dbraw/zinc/80/94/97/672809497.db2.gz RHUKDSLXUSQTBJ-INTQDDNPSA-N 1 0 367.297 2.469 20 30 FEEDRO C[N@@H+]1CC[C@@]2(CCN(C(=O)Cc3ccc(Br)cc3C#N)C2)C1 ZINC000593162502 672885248 /nfs/dbraw/zinc/88/52/48/672885248.db2.gz KAJXJHWIEKHAKI-QGZVFWFLSA-N 1 0 362.271 2.417 20 30 FEEDRO C[NH+]=C(NCc1sc(C)nc1C)N1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000261645018 672900429 /nfs/dbraw/zinc/90/04/29/672900429.db2.gz DOHCDKWCPQIUBE-CYBMUJFWSA-N 1 0 352.504 2.499 20 30 FEEDRO [NH2+]=C(N[C@H]1COc2cc(F)c(Br)cc21)N1CCSCC1 ZINC000261757250 672902636 /nfs/dbraw/zinc/90/26/36/672902636.db2.gz QQRWCCDEELDOBA-NSHDSACASA-N 1 0 360.252 2.385 20 30 FEEDRO C[NH+]=C(NCCc1nc(C(F)(F)F)cs1)N1CC[C@@]2(CCOC2)C1 ZINC000261984167 672906874 /nfs/dbraw/zinc/90/68/74/672906874.db2.gz PPJYDCMSTMKXQC-CQSZACIVSA-N 1 0 362.421 2.392 20 30 FEEDRO C[NH+]=C(NCc1cc(Br)cs1)NC1CCN(C(C)=O)CC1 ZINC000262300803 672912715 /nfs/dbraw/zinc/91/27/15/672912715.db2.gz ZNFKDSCPGBORQI-UHFFFAOYSA-N 1 0 373.320 2.187 20 30 FEEDRO CCN(CC)S(=O)(=O)c1ccc(CNC(=[NH2+])N2CCC[C@H](C)C2)s1 ZINC000262322282 672913130 /nfs/dbraw/zinc/91/31/30/672913130.db2.gz QMKWGWGSOIDNDH-ZDUSSCGKSA-N 1 0 372.560 2.325 20 30 FEEDRO CCOC(=O)C1CCN(C(N[C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)=[NH+]C)CC1 ZINC000262335836 672913504 /nfs/dbraw/zinc/91/35/04/672913504.db2.gz BTVSXSZEXPTUIV-ARFHVFGLSA-N 1 0 351.491 2.041 20 30 FEEDRO C[C@@H]1CCC[C@H](NC(NC[C@H]2CCS(=O)(=O)C2)=[NH+]C2CCCC2)C1 ZINC000262429810 672915530 /nfs/dbraw/zinc/91/55/30/672915530.db2.gz SHCXIQXTNVTNBY-INMHGKMJSA-N 1 0 355.548 2.478 20 30 FEEDRO C[C@H]1CN(C(=[NH2+])N[C@@H]2C[C@H]2c2ccc(Br)c(F)c2)CCO1 ZINC000262457743 672916506 /nfs/dbraw/zinc/91/65/06/672916506.db2.gz LNSQFEFHMMCUKF-NURSFMCSSA-N 1 0 356.239 2.480 20 30 FEEDRO C[NH+]=C(NCc1scnc1C)N[C@H]1CCN(c2cccc(OC)c2)C1 ZINC000262839027 672921926 /nfs/dbraw/zinc/92/19/26/672921926.db2.gz WWRHKXCZBLRPBS-AWEZNQCLSA-N 1 0 359.499 2.404 20 30 FEEDRO CN(C)C(NC[C@H]1CS(=O)(=O)c2ccccc21)=[NH+]Cc1ccccc1 ZINC000263145356 672928764 /nfs/dbraw/zinc/92/87/64/672928764.db2.gz OTHBTDQVZCMTIN-INIZCTEOSA-N 1 0 357.479 2.265 20 30 FEEDRO N#Cc1sccc1S(=O)(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000593571118 672946721 /nfs/dbraw/zinc/94/67/21/672946721.db2.gz AKEHEBIZCLLURY-UHFFFAOYSA-N 1 0 362.480 2.210 20 30 FEEDRO N#Cc1sccc1S(=O)(=O)N1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000593589237 672952123 /nfs/dbraw/zinc/95/21/23/672952123.db2.gz OVYGTMCMNWOUAH-IYBDPMFKSA-N 1 0 373.503 2.372 20 30 FEEDRO CC(C)(C#N)c1ccc(S(=O)(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000593728969 672983549 /nfs/dbraw/zinc/98/35/49/672983549.db2.gz JREZMOMQDYLWBH-HOTGVXAUSA-N 1 0 361.511 2.498 20 30 FEEDRO CC(C)(C#N)c1ccc(S(=O)(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000593728971 672983668 /nfs/dbraw/zinc/98/36/68/672983668.db2.gz JREZMOMQDYLWBH-HZPDHXFCSA-N 1 0 361.511 2.498 20 30 FEEDRO [NH2+]=C(NCCCS(=O)(=O)c1ccccc1)NCCc1cccs1 ZINC000303863668 673018047 /nfs/dbraw/zinc/01/80/47/673018047.db2.gz ALOQSWMPNNGDHG-UHFFFAOYSA-N 1 0 351.497 2.059 20 30 FEEDRO Cc1cccc(NC(=[NH2+])NCC[C@@](O)(c2nccn2C)C(F)(F)F)c1 ZINC000303792003 673018179 /nfs/dbraw/zinc/01/81/79/673018179.db2.gz YBVLQHSGDCRMHU-OAHLLOKOSA-N 1 0 355.364 2.295 20 30 FEEDRO [NH2+]=C(NCCCNC(=O)c1cccc(Br)c1)N1CCCCC1 ZINC000303981086 673019653 /nfs/dbraw/zinc/01/96/53/673019653.db2.gz OUNKCGSVYJJFFP-UHFFFAOYSA-N 1 0 367.291 2.370 20 30 FEEDRO CCc1nc(CCNC(=[NH2+])N2CCN(C(=O)OC(C)(C)C)CC2)cs1 ZINC000303983354 673019788 /nfs/dbraw/zinc/01/97/88/673019788.db2.gz RDBZYRALOPQYMJ-UHFFFAOYSA-N 1 0 367.519 2.115 20 30 FEEDRO CC(C)(CNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1)S(C)(=O)=O ZINC000304727237 673020160 /nfs/dbraw/zinc/02/01/60/673020160.db2.gz QCILDDWCJNJLQM-UHFFFAOYSA-N 1 0 353.366 2.135 20 30 FEEDRO COc1ccc(OC)c(NC(=[NH2+])NCC[S@](=O)Cc2ccccc2)c1 ZINC000304763498 673020728 /nfs/dbraw/zinc/02/07/28/673020728.db2.gz WWBLATOGAJFUSK-VWLOTQADSA-N 1 0 361.467 2.379 20 30 FEEDRO CCOC(=O)N1CCC(NC(=[NH2+])NCCc2ccc(F)cc2F)CC1 ZINC000304761233 673020826 /nfs/dbraw/zinc/02/08/26/673020826.db2.gz UBZBFKKXVHODJX-UHFFFAOYSA-N 1 0 354.401 2.033 20 30 FEEDRO O=C(CCNC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1)N1CCCCCC1 ZINC000328824556 673067690 /nfs/dbraw/zinc/06/76/90/673067690.db2.gz RPDMVPLZXRQUNK-QGZVFWFLSA-N 1 0 350.507 2.253 20 30 FEEDRO O=C(CN1CCCCCCC1=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000329076667 673071559 /nfs/dbraw/zinc/07/15/59/673071559.db2.gz AXNIMIUDIFLBPX-UHFFFAOYSA-N 1 0 351.491 2.381 20 30 FEEDRO CCCC(=O)N1CSC[C@@H]1C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000329084420 673071709 /nfs/dbraw/zinc/07/17/09/673071709.db2.gz FRGGTWRWXBOAQQ-OAHLLOKOSA-N 1 0 369.531 2.290 20 30 FEEDRO COc1ccc(Cl)cc1N1CC[C@@H](NC(=O)[C@@H]([NH3+])CCCCC#N)C1 ZINC000594435944 673071773 /nfs/dbraw/zinc/07/17/73/673071773.db2.gz BJCRYVXZFLLNLF-CABCVRRESA-N 1 0 364.877 2.455 20 30 FEEDRO N#CCCCC[C@@H]([NH3+])C(=O)N1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000594444616 673072779 /nfs/dbraw/zinc/07/27/79/673072779.db2.gz AAVMLFUYRVEHJF-CYBMUJFWSA-N 1 0 357.380 2.477 20 30 FEEDRO N#Cc1c(NCCCC[NH+]2CCN(CCO)CC2)cccc1C(F)F ZINC000594556260 673097266 /nfs/dbraw/zinc/09/72/66/673097266.db2.gz KGSYJWJRNGSSJV-UHFFFAOYSA-N 1 0 352.429 2.298 20 30 FEEDRO CC(C)(CC#N)CS(=O)(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000594829790 673154590 /nfs/dbraw/zinc/15/45/90/673154590.db2.gz OLVWBNAPDFAFDS-UHFFFAOYSA-N 1 0 364.515 2.153 20 30 FEEDRO N#CC1(c2ccc(C[NH2+]CCNS(=O)(=O)c3ccccc3)cc2)CC1 ZINC000594918885 673178500 /nfs/dbraw/zinc/17/85/00/673178500.db2.gz UPVWCSQOVVQPJA-UHFFFAOYSA-N 1 0 355.463 2.310 20 30 FEEDRO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000595107467 673193997 /nfs/dbraw/zinc/19/39/97/673193997.db2.gz FGTUUHRRBRSEEA-HIFRSBDPSA-N 1 0 361.492 2.454 20 30 FEEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000419885078 673195787 /nfs/dbraw/zinc/19/57/87/673195787.db2.gz YPXZXZCXXXPTHZ-VXGBXAGGSA-N 1 0 355.891 2.302 20 30 FEEDRO CCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)C1 ZINC000595355866 673231666 /nfs/dbraw/zinc/23/16/66/673231666.db2.gz SDHGOEABHHQRCU-CYBMUJFWSA-N 1 0 361.389 2.340 20 30 FEEDRO CC(C)[N@H+](C)C[C@@H](O)CN1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000595463980 673254109 /nfs/dbraw/zinc/25/41/09/673254109.db2.gz FCWGSLYBXKOITO-MOPGFXCFSA-N 1 0 364.921 2.223 20 30 FEEDRO C=CCCSCCNC(=O)N1CCN(c2cc[nH+]cc2OC)CC1 ZINC000595724498 673285678 /nfs/dbraw/zinc/28/56/78/673285678.db2.gz LOGBTRCYSDKMHI-UHFFFAOYSA-N 1 0 350.488 2.231 20 30 FEEDRO COC(=O)/C=C1/SCC(=O)N1CCC[N@H+](CCC#N)CC(C)(C)C ZINC000731848620 673344754 /nfs/dbraw/zinc/34/47/54/673344754.db2.gz WXZHLKZMSLAIBM-RVDMUPIBSA-N 1 0 353.488 2.228 20 30 FEEDRO COc1ccc(C=NNC(=S)NCCC[NH+](C)C)cc1Br ZINC000731928945 673348370 /nfs/dbraw/zinc/34/83/70/673348370.db2.gz RLXVGOYBCLWYAS-UHFFFAOYSA-N 1 0 373.320 2.207 20 30 FEEDRO C[NH+](C)CCCNC(=S)NN=Cc1ccc(Br)cc1F ZINC000731930847 673348578 /nfs/dbraw/zinc/34/85/78/673348578.db2.gz OVALUUCEEXVPKW-UHFFFAOYSA-N 1 0 361.284 2.338 20 30 FEEDRO COc1ccc(Br)cc1C=NNC(=S)NCCC[NH+](C)C ZINC000731930889 673348641 /nfs/dbraw/zinc/34/86/41/673348641.db2.gz QXMUYSQCRPNOLV-UHFFFAOYSA-N 1 0 373.320 2.207 20 30 FEEDRO C=CCCSCCNC(=O)N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000596716242 673406912 /nfs/dbraw/zinc/40/69/12/673406912.db2.gz HAOJQHNUSKZDHX-QGZVFWFLSA-N 1 0 354.564 2.106 20 30 FEEDRO O=C(NCC[NH2+]Cc1csc(Br)c1)C1N=CC=CC1=O ZINC000733332817 673410048 /nfs/dbraw/zinc/41/00/48/673410048.db2.gz CCPSLCOZXBIWHC-OUKQBFOZSA-N 1 0 356.245 2.127 20 30 FEEDRO C[NH+](C)CCC[C@@H]1CN(C(=O)CSCc2ccc(C#N)cc2)CCO1 ZINC000598540871 673580668 /nfs/dbraw/zinc/58/06/68/673580668.db2.gz RINOMQWBRIVWPO-GOSISDBHSA-N 1 0 361.511 2.361 20 30 FEEDRO C[N@H+](C[C@@H](O)CC(C)(C)C#N)C[C@@H](c1cccs1)N1CCOCC1 ZINC000598588411 673587022 /nfs/dbraw/zinc/58/70/22/673587022.db2.gz LKXAPGGHIALHLB-HOTGVXAUSA-N 1 0 351.516 2.354 20 30 FEEDRO C[N@H+](CCCOc1cccc(S(C)(=O)=O)c1)C[C@@H](O)CC(C)(C)C#N ZINC000598588766 673587235 /nfs/dbraw/zinc/58/72/35/673587235.db2.gz CILUHJRRTHMRGA-HNNXBMFYSA-N 1 0 368.499 2.092 20 30 FEEDRO CC(C)(C#N)C[C@@H](O)C[N@@H+]1CCC[C@@H](S(=O)(=O)Nc2ccccc2)C1 ZINC000598601064 673588116 /nfs/dbraw/zinc/58/81/16/673588116.db2.gz DAWXZXPOACVYTB-IAGOWNOFSA-N 1 0 365.499 2.193 20 30 FEEDRO COC(=O)c1cnc([C@@H]2CCC[N@H+](C[C@H](O)CC(C)(C)C#N)C2)s1 ZINC000598628213 673592725 /nfs/dbraw/zinc/59/27/25/673592725.db2.gz LSGVRCGRSAIOTP-CHWSQXEVSA-N 1 0 351.472 2.410 20 30 FEEDRO CN1CC[NH+](CC2CN(c3cc(Br)c(C#N)cc3F)C2)CC1 ZINC000599109617 673634048 /nfs/dbraw/zinc/63/40/48/673634048.db2.gz VSAYXMUOJCMOCO-UHFFFAOYSA-N 1 0 367.266 2.143 20 30 FEEDRO CC[C@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)c1c(C)nn(C)c1C ZINC000543457197 673648682 /nfs/dbraw/zinc/64/86/82/673648682.db2.gz CCVPILCODOCKCF-KRWDZBQOSA-N 1 0 360.483 2.423 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)c2sc(-c3ncccn3)nc2C)CC1 ZINC000740736402 673651819 /nfs/dbraw/zinc/65/18/19/673651819.db2.gz SEBYRNQTANDFID-UHFFFAOYSA-N 1 0 355.467 2.126 20 30 FEEDRO C[S@](=O)C[C@H]([NH2+]C[C@H](O)COc1ccccc1C#N)c1ccccc1 ZINC000599356928 673663155 /nfs/dbraw/zinc/66/31/55/673663155.db2.gz OPPWXNMRSAMCAZ-RPPIVITFSA-N 1 0 358.463 2.007 20 30 FEEDRO C[N@H+](C[C@@H](O)CC1(C#N)CCOCC1)[C@H](CO)c1ccc(Cl)cc1 ZINC000599431657 673675209 /nfs/dbraw/zinc/67/52/09/673675209.db2.gz NBNXOGKCLDAIHO-DLBZAZTESA-N 1 0 352.862 2.377 20 30 FEEDRO CCOC(=O)[C@@H]1CC[C@H](C)[N@H+](C[C@@H](O)CC2(C#N)CCOCC2)[C@@H]1C ZINC000599445471 673676348 /nfs/dbraw/zinc/67/63/48/673676348.db2.gz SUBJTUNHJLXYGO-VVLHAWIVSA-N 1 0 352.475 2.110 20 30 FEEDRO C=CC[C@H]1CC[N@H+](CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)C1 ZINC000599530132 673688628 /nfs/dbraw/zinc/68/86/28/673688628.db2.gz UERLQVHDOPWLST-IRXDYDNUSA-N 1 0 358.511 2.355 20 30 FEEDRO Cc1c2cc(C#N)ccc2sc1C(=O)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000599939041 673729190 /nfs/dbraw/zinc/72/91/90/673729190.db2.gz GBZMWRQCQBHSBH-CABCVRRESA-N 1 0 355.463 2.363 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)c2cn(-c3ccc(Cl)cc3)nn2)CC1 ZINC000743492146 673761817 /nfs/dbraw/zinc/76/18/17/673761817.db2.gz QMGVABSLPLLMQF-UHFFFAOYSA-N 1 0 357.845 2.138 20 30 FEEDRO Cc1nc([C@H]2CCOC2)sc1C(=O)N(CCC#N)CCC[NH+](C)C ZINC000601016430 673819848 /nfs/dbraw/zinc/81/98/48/673819848.db2.gz YIWWTOBTYCIUMP-AWEZNQCLSA-N 1 0 350.488 2.263 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N[C@H]2CC[C@H](C[NH3+])CC2)cc1Br ZINC000601348879 673846290 /nfs/dbraw/zinc/84/62/90/673846290.db2.gz ZZWMQTOBEMNMTN-UMSPYCQHSA-N 1 0 372.288 2.117 20 30 FEEDRO N#CCc1ccccc1S(=O)(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000601376655 673851563 /nfs/dbraw/zinc/85/15/63/673851563.db2.gz NMOQYQPZJIVRAJ-AEFFLSMTSA-N 1 0 359.495 2.390 20 30 FEEDRO N#Cc1ccc(OC[C@H](O)C[NH2+]C[C@H](CO)c2ccc(Cl)cc2)cc1 ZINC000601970499 673900579 /nfs/dbraw/zinc/90/05/79/673900579.db2.gz KFDHHDZVAJPITI-SJLPKXTDSA-N 1 0 360.841 2.317 20 30 FEEDRO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)n1cc(CC[NH+](C)C)nn1 ZINC000603205230 673919095 /nfs/dbraw/zinc/91/90/95/673919095.db2.gz YXTBYZWQQQOQSG-LLVKDONJSA-N 1 0 358.471 2.004 20 30 FEEDRO N#Cc1ccc(Cn2cc([C@@H]([NH3+])[C@@H]3CCCO3)nn2)c(C(F)(F)F)c1 ZINC000603253004 673920193 /nfs/dbraw/zinc/92/01/93/673920193.db2.gz YODNWXCIHIIKRM-LSDHHAIUSA-N 1 0 351.332 2.396 20 30 FEEDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNc2ccc(C#N)cc2CS(N)(=O)=O)C1 ZINC000603283015 673921893 /nfs/dbraw/zinc/92/18/93/673921893.db2.gz GQNXKKURXBFZRT-GASCZTMLSA-N 1 0 364.515 2.127 20 30 FEEDRO CCNc1ccc(S(=O)(=O)C(F)F)cc1NC(=O)[C@@H]([NH3+])CCCC#N ZINC000818115810 675197357 /nfs/dbraw/zinc/19/73/57/675197357.db2.gz CRQKEGGZJSCFLL-NSHDSACASA-N 1 0 374.413 2.074 20 30 FEEDRO CCOC(=O)[C@@H]1[C@@H]([NH2+][C@@H]2CC[C@H](C#N)C2)CCN1C(=O)OC(C)(C)C ZINC000818357223 675215944 /nfs/dbraw/zinc/21/59/44/675215944.db2.gz WXAZHCKLFWDEBI-XGUBFFRZSA-N 1 0 351.447 2.209 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)CCOc1ccccc1Br ZINC000818611889 675228535 /nfs/dbraw/zinc/22/85/35/675228535.db2.gz HEDGIRVAXNFCSX-UHFFFAOYSA-N 1 0 353.260 2.289 20 30 FEEDRO N#CCN1CCC([NH2+]C[C@H](O)c2ccc(F)c(Br)c2)CC1 ZINC000819033262 675254344 /nfs/dbraw/zinc/25/43/44/675254344.db2.gz FGBCWSBZUSXTSZ-HNNXBMFYSA-N 1 0 356.239 2.199 20 30 FEEDRO C[NH+](C)C[C@H]1CCCN1C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C ZINC000819230870 675272205 /nfs/dbraw/zinc/27/22/05/675272205.db2.gz MYJNITVEDHOAKX-HUUCEWRRSA-N 1 0 352.479 2.126 20 30 FEEDRO C[C@H]1CC[N@H+](CCNC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)C1 ZINC000819342186 675283217 /nfs/dbraw/zinc/28/32/17/675283217.db2.gz PCDNUTDCGTYPNG-GJZGRUSLSA-N 1 0 352.479 2.032 20 30 FEEDRO C[C@@]1(CC[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)CC1(Cl)Cl ZINC000819348495 675283774 /nfs/dbraw/zinc/28/37/74/675283774.db2.gz GVHDFQCMPXEXGU-CYBMUJFWSA-N 1 0 362.282 2.291 20 30 FEEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(Cl)nc1N ZINC000824369244 675598571 /nfs/dbraw/zinc/59/85/71/675598571.db2.gz XFGYPUNIYJQGCK-UHFFFAOYSA-N 1 0 357.845 2.393 20 30 FEEDRO CN1CC[NH+](C2CCN(C(=O)c3ccccc3SCC#N)CC2)CC1 ZINC000827468623 675758272 /nfs/dbraw/zinc/75/82/72/675758272.db2.gz YDSPLWSXYKWYRG-UHFFFAOYSA-N 1 0 358.511 2.154 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)C1CCN(C(=O)OC)CC1)C(C)C ZINC000827518678 675761700 /nfs/dbraw/zinc/76/17/00/675761700.db2.gz BTOFRTSFCMRNLL-QGZVFWFLSA-N 1 0 351.491 2.280 20 30 FEEDRO C[NH+](C)C1(CNS(=O)(=O)Cc2ccc(C#N)cc2F)CCCCC1 ZINC000616406500 676248882 /nfs/dbraw/zinc/24/88/82/676248882.db2.gz OLTLLVWZFBANHO-UHFFFAOYSA-N 1 0 353.463 2.381 20 30 FEEDRO C[C@H](CC#N)N(C)S(=O)(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000619751583 676393300 /nfs/dbraw/zinc/39/33/00/676393300.db2.gz LBNOQOPXVFDZSS-SJLPKXTDSA-N 1 0 364.515 2.282 20 30 FEEDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)NCc1ccc(C#N)c(Cl)c1 ZINC000619758740 676393718 /nfs/dbraw/zinc/39/37/18/676393718.db2.gz DNHGMDZMWIVMPF-HNNXBMFYSA-N 1 0 350.850 2.122 20 30 FEEDRO C=C(C)CN(CC)C(=O)[C@H](C)N1CCC(CC)([NH+]2CCOCC2)CC1 ZINC000626087605 676688490 /nfs/dbraw/zinc/68/84/90/676688490.db2.gz UBZJPYYQMZXZPO-SFHVURJKSA-N 1 0 351.535 2.376 20 30 FEEDRO C=C(C)CN(Cc1ccc(CO)o1)C(=O)C(C)(C)C[NH+]1CCOCC1 ZINC000635920151 677110259 /nfs/dbraw/zinc/11/02/59/677110259.db2.gz QDPPEIZECBFLDD-UHFFFAOYSA-N 1 0 350.459 2.035 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)n1cc(C[C@@H]2CC[NH2+]C2)nn1 ZINC000640930571 677191989 /nfs/dbraw/zinc/19/19/89/677191989.db2.gz UGKRGFIIMKBCPY-CABCVRRESA-N 1 0 359.499 2.267 20 30 FEEDRO C=CCC[C@@H](O)Cn1cc([C@H]([NH3+])c2ccc(Br)cc2)nn1 ZINC000641212638 677197017 /nfs/dbraw/zinc/19/70/17/677197017.db2.gz NJCVCSXHRNZNPW-UKRRQHHQSA-N 1 0 351.248 2.416 20 30 FEEDRO CC#CC[C@H](CO)[NH2+]Cc1cc(Br)c2c(c1)OCCCO2 ZINC000641768789 677215295 /nfs/dbraw/zinc/21/52/95/677215295.db2.gz IAWLHXJBFSZFCB-CYBMUJFWSA-N 1 0 354.244 2.474 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H](C)C2CCC(F)(F)CC2)CC1 ZINC000656311150 677740677 /nfs/dbraw/zinc/74/06/77/677740677.db2.gz JVEDQNXHOMMJBG-CYBMUJFWSA-N 1 0 357.445 2.083 20 30 FEEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SC[C@@]1(O)CCCOC1 ZINC000656695000 677806837 /nfs/dbraw/zinc/80/68/37/677806837.db2.gz YSYVEQJHDVMSOP-GOSISDBHSA-N 1 0 366.531 2.126 20 30 FEEDRO C[C@@H]1CC(N=Nc2cc(C(F)(F)F)nc(-c3ccncc3)n2)C[N@@H+]1C ZINC000761813688 680732088 /nfs/dbraw/zinc/73/20/88/680732088.db2.gz UJSDKUBPXFYPFZ-SNVBAGLBSA-N 1 0 350.348 2.471 20 30 FEEDRO C=CC[C@@H]1CCCC[C@@H]1NC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000660583430 678360716 /nfs/dbraw/zinc/36/07/16/678360716.db2.gz BXVFZNDERSMBJR-ZACQAIPSSA-N 1 0 350.507 2.008 20 30 FEEDRO C=CC[C@@H]1CCCC[C@@H]1NC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000660583428 678360840 /nfs/dbraw/zinc/36/08/40/678360840.db2.gz BXVFZNDERSMBJR-IKGGRYGDSA-N 1 0 350.507 2.008 20 30 FEEDRO N#Cc1ccc([C@H](O)C[NH2+]C[C@H](c2cccs2)N2CCOCC2)cc1 ZINC000763227198 680776594 /nfs/dbraw/zinc/77/65/94/680776594.db2.gz XDECVUAXMZSVAK-QZTJIDSGSA-N 1 0 357.479 2.316 20 30 FEEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)Nc1cc(S(N)(=O)=O)cc(C)c1C ZINC000662081308 678574912 /nfs/dbraw/zinc/57/49/12/678574912.db2.gz OKGDXYLADXVGSM-GASCZTMLSA-N 1 0 363.483 2.072 20 30 FEEDRO C=CC[C@]1(C(=O)Nc2ccc(C)c(S(=O)(=O)NC3CC3)c2)CCC[NH2+]1 ZINC000662621921 678644091 /nfs/dbraw/zinc/64/40/91/678644091.db2.gz LWUKBIIPOVMKQQ-GOSISDBHSA-N 1 0 363.483 2.073 20 30 FEEDRO C=CC[C@@]1(C(=O)Nc2nc(CN3C[C@@H](C)O[C@@H](C)C3)cs2)CCC[NH2+]1 ZINC000662671347 678649376 /nfs/dbraw/zinc/64/93/76/678649376.db2.gz NPNQPAVGXNJPCW-IYOUNJFTSA-N 1 0 364.515 2.389 20 30 FEEDRO C=CC[C@]1(C(=O)NCCc2ccc(OCC(F)(F)F)nc2)CCC[NH2+]1 ZINC000662799757 678662782 /nfs/dbraw/zinc/66/27/82/678662782.db2.gz NTUQFXHXCFKTDJ-MRXNPFEDSA-N 1 0 357.376 2.380 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)NCc2ccc(Cl)c(Cl)c2)CC1 ZINC000668835638 679203172 /nfs/dbraw/zinc/20/31/72/679203172.db2.gz FRBXPQZDVYFNBV-UHFFFAOYSA-N 1 0 370.280 2.376 20 30 FEEDRO C#CCN1CCN(C(=O)C[NH2+][C@@H](c2ccc(F)c(Cl)c2)C2CC2)CC1 ZINC000830976582 679904830 /nfs/dbraw/zinc/90/48/30/679904830.db2.gz JCLRHBSDGFEZBA-LJQANCHMSA-N 1 0 363.864 2.297 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[N@@H+](CCOC2CCC2)CC1(C)C ZINC000974586022 679960723 /nfs/dbraw/zinc/96/07/23/679960723.db2.gz CHJWOUWWXRIIME-SQNIBIBYSA-N 1 0 350.503 2.363 20 30 FEEDRO CC[NH+](CC)[C@@H](CNc1ccc(S(N)(=O)=O)cc1C#N)CC(C)C ZINC000749264176 680035251 /nfs/dbraw/zinc/03/52/51/680035251.db2.gz IZVBCGIESSULKM-OAHLLOKOSA-N 1 0 352.504 2.374 20 30 FEEDRO C[N@@H+](Cc1ccc(C#N)s1)C[C@@H]1CCCN(C(=O)[C@]23C[C@H]2COC3)C1 ZINC001017133565 680070205 /nfs/dbraw/zinc/07/02/05/680070205.db2.gz SLZODWFTZGHNEV-DOXZYTNZSA-N 1 0 359.495 2.327 20 30 FEEDRO C=C(Cl)C(C)(C)C(=O)N1CC[C@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)[C@H]2C1 ZINC000975724089 680083974 /nfs/dbraw/zinc/08/39/74/680083974.db2.gz SEKBABAMNKANIJ-JYJNAYRXSA-N 1 0 367.921 2.166 20 30 FEEDRO C=C(Br)C[NH2+][C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2cccnc2)C1 ZINC001019415632 680092895 /nfs/dbraw/zinc/09/28/95/680092895.db2.gz KJXYHOIXODORAB-SOUVJXGZSA-N 1 0 350.260 2.284 20 30 FEEDRO C=C(Cl)C(C)(C)C(=O)N1C[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@]2(C)C1 ZINC000992947278 680138319 /nfs/dbraw/zinc/13/83/19/680138319.db2.gz JIGJVYFXBLAYJX-HNAYVOBHSA-N 1 0 367.921 2.168 20 30 FEEDRO C=C(Cl)C(C)(C)C(=O)N1CC[C@H]1CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000977803435 680164026 /nfs/dbraw/zinc/16/40/26/680164026.db2.gz ANXTYBDYLGGNTB-VHDGCEQUSA-N 1 0 355.910 2.165 20 30 FEEDRO C=C(Br)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)[C@@H]2C1 ZINC000978501170 680177195 /nfs/dbraw/zinc/17/71/95/680177195.db2.gz VOJQJDRHXRYVPW-OSLXHZNNSA-N 1 0 369.303 2.004 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3scnc3C)C[C@H]21 ZINC000978825758 680181337 /nfs/dbraw/zinc/18/13/37/680181337.db2.gz FUVYSDOJGQRWPP-FDPKGLCPSA-N 1 0 361.511 2.227 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[N@H+](CCC[C@@H]2CCOC2)CC1 ZINC000981189665 680219729 /nfs/dbraw/zinc/21/97/29/680219729.db2.gz BEFIIQLKUXHYIF-QRVBRYPASA-N 1 0 350.503 2.319 20 30 FEEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)COc1ccc2cc(Br)ccc2c1 ZINC000834490399 680234166 /nfs/dbraw/zinc/23/41/66/680234166.db2.gz UYHCLTODJNAFIP-XJKSGUPXSA-N 1 0 374.238 2.209 20 30 FEEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)Cc1csc(-c2ccc(Cl)s2)n1 ZINC000834493933 680235051 /nfs/dbraw/zinc/23/50/51/680235051.db2.gz JASDECDTPOVXGA-PSASIEDQSA-N 1 0 352.872 2.295 20 30 FEEDRO Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000834499607 680235171 /nfs/dbraw/zinc/23/51/71/680235171.db2.gz KJWWLVFQASMXJO-HOCLYGCPSA-N 1 0 357.845 2.043 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCn2cc(Cl)cn2)C1 ZINC001022834474 680240955 /nfs/dbraw/zinc/24/09/55/680240955.db2.gz VFMQDPYDAJELJC-YVSFHVDLSA-N 1 0 366.893 2.145 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]Cc2snnc2C)C1 ZINC001023991185 680276583 /nfs/dbraw/zinc/27/65/83/680276583.db2.gz QDEFXBVHCSZMTJ-XHSDSOJGSA-N 1 0 364.515 2.156 20 30 FEEDRO CC(=NNC(=S)NCCC[NH+](C)C)c1ncc(-c2ccccc2)n1C ZINC000834957155 680284705 /nfs/dbraw/zinc/28/47/05/680284705.db2.gz HVHNSTWQYGEKMA-UHFFFAOYSA-N 1 0 358.515 2.227 20 30 FEEDRO C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCCN2Cc2ccc(C#N)s2)CC[N@@H+]1C ZINC001024447066 680290115 /nfs/dbraw/zinc/29/01/15/680290115.db2.gz PVQSYNJPSLPWNQ-RVKKMQEKSA-N 1 0 360.527 2.431 20 30 FEEDRO C=C(Br)CN1CCCC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001024447539 680290272 /nfs/dbraw/zinc/29/02/72/680290272.db2.gz XAIQUXBWWBWORW-QLFBSQMISA-N 1 0 358.324 2.206 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCc2csc(C)n2)C(C)(C)C1 ZINC000996331460 680328944 /nfs/dbraw/zinc/32/89/44/680328944.db2.gz RHABRSMFKKPPCO-IXDOHACOSA-N 1 0 363.527 2.412 20 30 FEEDRO N#Cc1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]cn3)C2)s1 ZINC000983924010 680336202 /nfs/dbraw/zinc/33/62/02/680336202.db2.gz 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FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC(C[NH2+]C[C@@H]2CCOC2)CC1 ZINC000998138802 680377380 /nfs/dbraw/zinc/37/73/80/680377380.db2.gz LHYXIEFCOFBZBI-FHWLQOOXSA-N 1 0 350.503 2.222 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2ncc(Cl)n2C)C1 ZINC000998788724 680389079 /nfs/dbraw/zinc/38/90/79/680389079.db2.gz SBSCDUTYTCFVLE-CVSAEHQPSA-N 1 0 366.893 2.134 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](C[N@@H+](C)Cc2ccc(C#N)s2)C1 ZINC001029847926 680394024 /nfs/dbraw/zinc/39/40/24/680394024.db2.gz YKKYRUUNZVBOHT-OLMNPRSZSA-N 1 0 359.495 2.491 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2csnc2OC)C1 ZINC000999183590 680397263 /nfs/dbraw/zinc/39/72/63/680397263.db2.gz VPUXRFQNEZAAJI-XHSDSOJGSA-N 1 0 365.499 2.214 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)NCC1C[NH+](CCOc2ccc(Cl)cc2)C1 ZINC001031988752 680410467 /nfs/dbraw/zinc/41/04/67/680410467.db2.gz NKKZIMSCFQGSCE-MSOLQXFVSA-N 1 0 364.873 2.358 20 30 FEEDRO C#CC[N@H+]1CCC[C@H]1COC(=O)[C@H](c1ccccc1)N1CCSCC1 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367.906 2.267 20 30 FEEDRO Cc1nsc(N[C@@H]2CN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C[C@H]2C)c1C#N ZINC001043593276 680590434 /nfs/dbraw/zinc/59/04/34/680590434.db2.gz QADXQHKSBXHCHN-IVMMDQJWSA-N 1 0 361.515 2.456 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)NC1(C)CC[NH+](CC2CCOCC2)CC1 ZINC001045443368 680629697 /nfs/dbraw/zinc/62/96/97/680629697.db2.gz MYRNOZMIXHPIOR-MSOLQXFVSA-N 1 0 350.503 2.365 20 30 FEEDRO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2Nc2nc(Cl)c(C#N)s2)C1 ZINC001045498393 680632113 /nfs/dbraw/zinc/63/21/13/680632113.db2.gz XRJJROAMMSCGRY-IJLUTSLNSA-N 1 0 367.906 2.459 20 30 FEEDRO C#CC[N@H+]1CCC[C@H]1COC(=O)c1ccc(NS(=O)(=O)CCC)cc1 ZINC000759327314 680642312 /nfs/dbraw/zinc/64/23/12/680642312.db2.gz ZKFGXTPPQCMSTL-KRWDZBQOSA-N 1 0 364.467 2.093 20 30 FEEDRO C=C(C)C[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2C[C@H]2c2cncn2C)C1 ZINC001046974063 680655044 /nfs/dbraw/zinc/65/50/44/680655044.db2.gz DCKAJWQLTUBPES-RRFJBIMHSA-N 1 0 352.429 2.173 20 30 FEEDRO C#CCOc1cc(F)ccc1NC(=O)N1C[C@@H](SC)[C@H]([NH+](C)C)C1 ZINC000759987159 680673779 /nfs/dbraw/zinc/67/37/79/680673779.db2.gz ULIJKJGKYXJOGV-GDBMZVCRSA-N 1 0 351.447 2.347 20 30 FEEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)Nc1nc(SCc2ccccc2)ns1 ZINC000841145910 680865840 /nfs/dbraw/zinc/86/58/40/680865840.db2.gz NBLIRBHJTAIIQI-VXGBXAGGSA-N 1 0 360.468 2.063 20 30 FEEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]CC2(O)CCS(=O)(=O)CC2)cc1 ZINC000766144622 680868427 /nfs/dbraw/zinc/86/84/27/680868427.db2.gz OXACZTHHGUSYIO-AWEZNQCLSA-N 1 0 373.902 2.408 20 30 FEEDRO Cc1cc(C=NNC(=S)NC2CC[NH+](Cc3ccccc3)CC2)no1 ZINC000841607891 680903446 /nfs/dbraw/zinc/90/34/46/680903446.db2.gz LZUQVEIXUBYVOT-UHFFFAOYSA-N 1 0 357.483 2.446 20 30 FEEDRO C=CCS(=O)(=O)CC[NH2+][C@@H]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC000842696306 680960197 /nfs/dbraw/zinc/96/01/97/680960197.db2.gz UOBQOAUNLKCUCN-HRCADAONSA-N 1 0 372.531 2.212 20 30 FEEDRO C[C@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)[C@@H](O)c1cccc(F)c1 ZINC000843100406 680987776 /nfs/dbraw/zinc/98/77/76/680987776.db2.gz CWEPXSRSHFLAEP-SCLBCKFNSA-N 1 0 362.426 2.183 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[C@H](C[NH2+]C[C@H]2CCCOC2)CC1 ZINC001050369229 681046769 /nfs/dbraw/zinc/04/67/69/681046769.db2.gz NAHJBRZHEFALKX-NNIGNNQHSA-N 1 0 350.503 2.269 20 30 FEEDRO C#CC[NH+]1CCC2(CN(C(=O)CC[C@@H]3CC[C@H](C(F)(F)F)O3)C2)CC1 ZINC001050549333 681050167 /nfs/dbraw/zinc/05/01/67/681050167.db2.gz MVFUGLPEPDDKBS-LSDHHAIUSA-N 1 0 358.404 2.434 20 30 FEEDRO C#CCNC(=O)CC[N@H+]1CCC[C@@H](C)[C@@H]1CCNC(=O)OC(C)(C)C ZINC000844402639 681056707 /nfs/dbraw/zinc/05/67/07/681056707.db2.gz RPVQUPPEEWQMPU-CVEARBPZSA-N 1 0 351.491 2.141 20 30 FEEDRO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCN(c2snc(C)c2C#N)[C@@H]1C ZINC001051158897 681064857 /nfs/dbraw/zinc/06/48/57/681064857.db2.gz VLVCIOPYGVYJPB-VNQPRFMTSA-N 1 0 361.515 2.281 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCO[C@@H](C[NH2+]Cc2csc(C)c2)C1 ZINC001051619453 681067963 /nfs/dbraw/zinc/06/79/63/681067963.db2.gz KZWCSFBHIDQYAF-KSZLIROESA-N 1 0 364.511 2.355 20 30 FEEDRO Cc1nsc(NCC[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2C)c1C#N ZINC001053386218 681096783 /nfs/dbraw/zinc/09/67/83/681096783.db2.gz JWLVBXRKFXDCJF-UKRRQHHQSA-N 1 0 361.515 2.316 20 30 FEEDRO C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1CNc1snc(Cl)c1C#N ZINC001053667198 681103319 /nfs/dbraw/zinc/10/33/19/681103319.db2.gz YCGPSKARIOGMMT-WZRBSPASSA-N 1 0 367.906 2.269 20 30 FEEDRO C=C(Cl)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1C[C@@H]3O[C@H]1[C@H]1C[C@H]13)C2 ZINC001054166999 681106227 /nfs/dbraw/zinc/10/62/27/681106227.db2.gz OOPXZUXPMNEBRD-ORVJBUBXSA-N 1 0 350.890 2.477 20 30 FEEDRO Cc1nsc(N2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[N@H+]2CCC[C@H]2C)C3)c1C#N ZINC001055198776 681126170 /nfs/dbraw/zinc/12/61/70/681126170.db2.gz AIPAFZGFKJRPSI-OYNZBZHQSA-N 1 0 359.499 2.033 20 30 FEEDRO C=C[C@H](C)ONC(=O)N[C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000845643297 681142654 /nfs/dbraw/zinc/14/26/54/681142654.db2.gz YDNUINLCMCGZEC-UONOGXRCSA-N 1 0 350.438 2.444 20 30 FEEDRO C[C@@H](COCC1CCCCC1)[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000932422127 681245788 /nfs/dbraw/zinc/24/57/88/681245788.db2.gz HQRMJCRDQWZKEE-HNNXBMFYSA-N 1 0 365.499 2.302 20 30 FEEDRO CC(C)OCC[NH+]1CCC(NC(=O)N[C@H](CC#N)C(F)(F)F)CC1 ZINC000932917553 681327915 /nfs/dbraw/zinc/32/79/15/681327915.db2.gz VEINXRSHZFSAFO-CYBMUJFWSA-N 1 0 350.385 2.020 20 30 FEEDRO C#C[C@@H]([NH2+]CCc1nc2sc3c(c2c(N)n1)CCCC3)[C@@H]1CCCO1 ZINC000775795953 681335846 /nfs/dbraw/zinc/33/58/46/681335846.db2.gz QMDLIZWEPYKPFU-KGLIPLIRSA-N 1 0 356.495 2.465 20 30 FEEDRO COC(=O)N1CCC[C@H]([C@@H](C)[NH2+]CC(=O)Nc2sccc2C#N)C1 ZINC000775809986 681337617 /nfs/dbraw/zinc/33/76/17/681337617.db2.gz ISHAVBWTUQZWFE-YPMHNXCESA-N 1 0 350.444 2.015 20 30 FEEDRO C#C[C@H]([NH2+][C@H](C)C[C@@H]1COCCN1C(=O)OC(C)(C)C)[C@H]1CCCO1 ZINC000776003488 681356152 /nfs/dbraw/zinc/35/61/52/681356152.db2.gz WNKCABGQCZUSLE-WCXIOVBPSA-N 1 0 352.475 2.171 20 30 FEEDRO C[N@@H+]1CC[C@H](CNC(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)C1 ZINC000847372342 681369736 /nfs/dbraw/zinc/36/97/36/681369736.db2.gz IXKWWUVSWZHGEZ-HUUCEWRRSA-N 1 0 352.479 2.032 20 30 FEEDRO C[NH+](C)CCCCNC(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000847489827 681385880 /nfs/dbraw/zinc/38/58/80/681385880.db2.gz UPMXRVWFUGVCEJ-UHFFFAOYSA-N 1 0 351.491 2.095 20 30 FEEDRO C[C@@H]([NH2+]CCNS(=O)(=O)Cc1ccccc1)c1ccc(C#N)c(F)c1 ZINC000776728297 681430828 /nfs/dbraw/zinc/43/08/28/681430828.db2.gz CKOVXUKXVPBLIL-CQSZACIVSA-N 1 0 361.442 2.468 20 30 FEEDRO C#CC[N@H+]1CCC[C@H]1COC(=O)C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000777312580 681481309 /nfs/dbraw/zinc/48/13/09/681481309.db2.gz YUANKYUFQZPXDL-HOTGVXAUSA-N 1 0 350.459 2.417 20 30 FEEDRO C=C(Cl)C(C)(C)C(=O)N1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC000949365326 681635147 /nfs/dbraw/zinc/63/51/47/681635147.db2.gz LDXAAAGYXSICGY-SLBVQIDZSA-N 1 0 369.937 2.459 20 30 FEEDRO Cc1ccsc1CCNC1=[NH+]C[C@H]2CN(C(=O)OC(C)(C)C)CCN12 ZINC000849075700 681649743 /nfs/dbraw/zinc/64/97/43/681649743.db2.gz NDCSJIZQJCVUSB-AWEZNQCLSA-N 1 0 364.515 2.480 20 30 FEEDRO N#Cc1ccc(CNC(=[NH2+])N2CCN(c3ccc(Cl)cc3)CC2)nc1 ZINC000849077877 681650250 /nfs/dbraw/zinc/65/02/50/681650250.db2.gz PLPYHWQDYSUQST-UHFFFAOYSA-N 1 0 354.845 2.453 20 30 FEEDRO C[NH+]=C(NCc1ccco1)NC[C@@H](O)c1cccc(Br)c1 ZINC000849106802 681654187 /nfs/dbraw/zinc/65/41/87/681654187.db2.gz LCRZOQUDVHKIRS-CQSZACIVSA-N 1 0 352.232 2.441 20 30 FEEDRO CCNC(NC[C@@H](CO)Cc1cc(Br)ccc1F)=[NH+]CC ZINC000849110052 681654958 /nfs/dbraw/zinc/65/49/58/681654958.db2.gz PYJBTVGFRSPNTJ-NSHDSACASA-N 1 0 360.271 2.314 20 30 FEEDRO C[NH+](C)CCCNC(=S)NNc1cc(C#N)ccc1Br ZINC000849288012 681678787 /nfs/dbraw/zinc/67/87/87/681678787.db2.gz BHYOXZRAMFDACJ-UHFFFAOYSA-N 1 0 356.293 2.063 20 30 FEEDRO C[NH+]1C[C@@]2(C)CN(C(=O)c3cnc(C(F)(F)F)c(C#N)c3)C[C@]2(C)C1 ZINC000913275198 685474916 /nfs/dbraw/zinc/47/49/16/685474916.db2.gz ACINXJYDESWGDP-HOTGVXAUSA-N 1 0 352.360 2.386 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[NH+](CC2CC(OCC)C2)CC1 ZINC000951595016 681749619 /nfs/dbraw/zinc/74/96/19/681749619.db2.gz SDEDBLLGRZATQP-BTRQGYIVSA-N 1 0 350.503 2.317 20 30 FEEDRO Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C(=O)NCC#CC[NH+](C)C ZINC000913519984 685479246 /nfs/dbraw/zinc/47/92/46/685479246.db2.gz XNPIWGGRKWTFGB-UHFFFAOYSA-N 1 0 358.873 2.496 20 30 FEEDRO COc1cc(NC(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)c(Cl)cc1Br ZINC000850766612 681958127 /nfs/dbraw/zinc/95/81/27/681958127.db2.gz OPGDYIKJCNAFJX-WRWORJQWSA-N 1 0 373.638 2.344 20 30 FEEDRO C=C(Br)CNC(=O)N[C@@H]1C[C@]2(C[N@@H+](CC)[C@H]2C(C)C)C[C@H]1O ZINC000914418352 685507384 /nfs/dbraw/zinc/50/73/84/685507384.db2.gz IHEANKDVRJAGMW-HGTKMLMNSA-N 1 0 374.323 2.064 20 30 FEEDRO C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C(C)(C)C1 ZINC000940838482 682083548 /nfs/dbraw/zinc/08/35/48/682083548.db2.gz HIAKJYVPALEQTD-MJBXVCDLSA-N 1 0 364.408 2.126 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)NC1CC(C[NH2+]Cc2csnc2OC)C1 ZINC000961852838 682102742 /nfs/dbraw/zinc/10/27/42/682102742.db2.gz HWIQVFFRRVKNJP-GDVJOBBMSA-N 1 0 365.499 2.117 20 30 FEEDRO C=C(C[NH+](C)C)C(=O)N1CC[C@@H](c2nc(C)c(C(=O)OCC)s2)C1 ZINC000916303000 685523379 /nfs/dbraw/zinc/52/33/79/685523379.db2.gz RDCZRILDGAVLNB-CYBMUJFWSA-N 1 0 351.472 2.062 20 30 FEEDRO C[NH+](C)C[C@@H](CNS(=O)(=O)CC(C)(C)C#N)c1ccc(Cl)cc1 ZINC000916656547 685526699 /nfs/dbraw/zinc/52/66/99/685526699.db2.gz LGHFVOPTEUOXMJ-CQSZACIVSA-N 1 0 357.907 2.454 20 30 FEEDRO C#C[C@](C)(CC)[NH2+]CC(=O)Nc1cccc(S(=O)(=O)N(CC)CC)c1 ZINC000852099555 682219799 /nfs/dbraw/zinc/21/97/99/682219799.db2.gz BVENNOYOXADQQI-GOSISDBHSA-N 1 0 365.499 2.047 20 30 FEEDRO C[NH+]1C[C@]2(C)CN(S(=O)(=O)c3cccc(Cl)c3C#N)C[C@@]2(C)C1 ZINC000918351451 685538570 /nfs/dbraw/zinc/53/85/70/685538570.db2.gz JZANCXVXTVHVHQ-HZPDHXFCSA-N 1 0 353.875 2.174 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)CCC2CCOCC2)C1 ZINC000971558786 682359194 /nfs/dbraw/zinc/35/91/94/682359194.db2.gz IKSJKYRPLNUKIU-OTWHNJEPSA-N 1 0 350.503 2.317 20 30 FEEDRO CC(C)[C@H]1CN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)CC[NH2+]1 ZINC000856490878 682788999 /nfs/dbraw/zinc/78/89/99/682788999.db2.gz TYVZSYTZVQBYBZ-HUUCEWRRSA-N 1 0 352.479 2.030 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N(CCO)Cc2cccnc2Cl)CC1 ZINC000792988638 682855019 /nfs/dbraw/zinc/85/50/19/682855019.db2.gz GSBDHKXTIXWHTI-UHFFFAOYSA-N 1 0 366.893 2.279 20 30 FEEDRO CC(Cn1cc(C(F)(F)F)ccc1=O)=NNC1=[NH+][C@H]2CCCC[C@H]2N1 ZINC000794523237 682974986 /nfs/dbraw/zinc/97/49/86/682974986.db2.gz FTJXABCYEYUXKL-BETUJISGSA-N 1 0 355.364 2.103 20 30 FEEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CC[C@@H](CC[NH3+])C1 ZINC000926287785 683104548 /nfs/dbraw/zinc/10/45/48/683104548.db2.gz OSPJYCCKTOLDDN-GFCCVEGCSA-N 1 0 355.891 2.113 20 30 FEEDRO C#CCN(C(=O)NCC[C@H]1CC[C@@H](C(F)(F)F)O1)C1CC[NH+](C)CC1 ZINC000926295083 683105368 /nfs/dbraw/zinc/10/53/68/683105368.db2.gz YRJUHSCYWUXBMH-CABCVRRESA-N 1 0 361.408 2.225 20 30 FEEDRO C=C(C)C[N@H+](CCc1ccc(S(N)(=O)=O)cc1)Cc1ccc(CO)o1 ZINC000796384484 683158148 /nfs/dbraw/zinc/15/81/48/683158148.db2.gz VZIXNOYSMFSMHS-UHFFFAOYSA-N 1 0 364.467 2.040 20 30 FEEDRO C=C1CC(C)(C(=O)NCC[NH+]2CCC(NC(=O)OC(C)(C)C)CC2)C1 ZINC000927841716 683321681 /nfs/dbraw/zinc/32/16/81/683321681.db2.gz GWANGTHYDFQASA-UHFFFAOYSA-N 1 0 351.491 2.448 20 30 FEEDRO C=CCN1CC[C@@H]([N@H+](C)C[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)C1=O ZINC000798956991 683407968 /nfs/dbraw/zinc/40/79/68/683407968.db2.gz TXCXHWYLFOSWIP-BEFAXECRSA-N 1 0 351.491 2.352 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)c2c(OC)cccc2OC(F)(F)F)CC1 ZINC000928648040 683480772 /nfs/dbraw/zinc/48/07/72/683480772.db2.gz DFSWFWMVZMBFSU-UHFFFAOYSA-N 1 0 356.344 2.421 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)C2(c3cncc(Br)c3)CC2)CC1 ZINC000928653389 683482097 /nfs/dbraw/zinc/48/20/97/683482097.db2.gz KVKQOXOZWDWNKQ-UHFFFAOYSA-N 1 0 362.271 2.090 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)c2csc(I)c2)CC1 ZINC000928655368 683482302 /nfs/dbraw/zinc/48/23/02/683482302.db2.gz QIUVLQBSNUZEAE-UHFFFAOYSA-N 1 0 374.247 2.180 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)[C@@H](C)Oc2ccccc2Br)CC1 ZINC000928654735 683482309 /nfs/dbraw/zinc/48/23/09/683482309.db2.gz BAJNTQIPFJEYSG-CYBMUJFWSA-N 1 0 365.271 2.430 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)CCOc2cccc(Br)c2)CC1 ZINC000928660389 683483634 /nfs/dbraw/zinc/48/36/34/683483634.db2.gz BXYDSPOWJPJGAF-UHFFFAOYSA-N 1 0 365.271 2.432 20 30 FEEDRO C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1c(C)cc(OC)cc1C ZINC000922023950 683639430 /nfs/dbraw/zinc/63/94/30/683639430.db2.gz NBMCUKGTGRZILH-UHFFFAOYSA-N 1 0 350.484 2.030 20 30 FEEDRO C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000922027513 683640929 /nfs/dbraw/zinc/64/09/29/683640929.db2.gz WFMMJALSWCEFOI-UHFFFAOYSA-N 1 0 360.401 2.424 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)Nc2cc(NC(C)=O)c(F)cc2F)CC1 ZINC000929984208 683665120 /nfs/dbraw/zinc/66/51/20/683665120.db2.gz PAOIIQJUNYRADK-UHFFFAOYSA-N 1 0 350.369 2.142 20 30 FEEDRO COc1cc(C[NH2+]CC2(S(=O)(=O)NC(C)(C)C)CCC2)ccc1C#N ZINC000922474367 683730970 /nfs/dbraw/zinc/73/09/70/683730970.db2.gz ONURDTAUKBCQPO-UHFFFAOYSA-N 1 0 365.499 2.297 20 30 FEEDRO N#Cc1ccc([C@@H](O)C[NH2+]CC2(OCCO)CCC(F)(F)CC2)cc1 ZINC000863574132 683744087 /nfs/dbraw/zinc/74/40/87/683744087.db2.gz FQYGNASFVVZLHK-INIZCTEOSA-N 1 0 354.397 2.138 20 30 FEEDRO C#CC[C@@H](CCOC)[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000863589862 683747153 /nfs/dbraw/zinc/74/71/53/683747153.db2.gz YSRWMYNNWXLPNE-LSDHHAIUSA-N 1 0 374.250 2.346 20 30 FEEDRO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NC(=O)NCC(C)(C)CC#N)C2)[C@H]1C(C)C ZINC000922838372 683790898 /nfs/dbraw/zinc/79/08/98/683790898.db2.gz XYJPGZITCJUQSN-NNFUDEMPSA-N 1 0 350.507 2.095 20 30 FEEDRO C[N@H+](C[C@@H](O)c1cccc(C#N)c1)C[C@@](C)(O)C(F)(F)C(F)(F)F ZINC000930844888 683792027 /nfs/dbraw/zinc/79/20/27/683792027.db2.gz HNJXYXPEHBRNGE-CHWSQXEVSA-N 1 0 352.303 2.472 20 30 FEEDRO C#CCN1CCC[C@H](NC(=O)c2sc(N3CCCC3)nc2Cl)C1 ZINC000923581185 684308413 /nfs/dbraw/zinc/30/84/13/684308413.db2.gz GVRHFABENDJMFS-LBPRGKRZSA-N 1 0 352.891 2.224 20 30 FEEDRO N#CCc1ccccc1S(=O)(=O)N1C[C@H](CC[NH3+])Cc2ccccc21 ZINC000923744075 684345074 /nfs/dbraw/zinc/34/50/74/684345074.db2.gz GIXAVIYYLHRJOA-OAHLLOKOSA-N 1 0 355.463 2.469 20 30 FEEDRO C[NH+]1CCC(OCC(=O)OCc2ccc(Br)cc2C#N)CC1 ZINC000923787383 684349866 /nfs/dbraw/zinc/34/98/66/684349866.db2.gz IHZNFHZQJRMLQQ-UHFFFAOYSA-N 1 0 367.243 2.475 20 30 FEEDRO C[NH+]1CCN(c2cc(CNC(=O)Nc3sccc3C#N)ccn2)CC1 ZINC000931844957 684355770 /nfs/dbraw/zinc/35/57/70/684355770.db2.gz DHQONVSZIOYJQO-UHFFFAOYSA-N 1 0 356.455 2.088 20 30 FEEDRO C[C@]1([C@@H]2CCC[N@H+](CCC(=O)Nc3sccc3C#N)C2)COC(=O)N1 ZINC000932026541 684393448 /nfs/dbraw/zinc/39/34/48/684393448.db2.gz SPROSAQYVIFGGD-CXAGYDPISA-N 1 0 362.455 2.159 20 30 FEEDRO C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC[N@H+]1CC=CCC1 ZINC000867921618 684426730 /nfs/dbraw/zinc/42/67/30/684426730.db2.gz NPKGBHQGAKGRGN-CQSZACIVSA-N 1 0 357.882 2.400 20 30 FEEDRO C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000868521133 684505451 /nfs/dbraw/zinc/50/54/51/684505451.db2.gz QEOLRYKUYKZTLB-MELADBBJSA-N 1 0 357.882 2.185 20 30 FEEDRO C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000868732927 684534717 /nfs/dbraw/zinc/53/47/17/684534717.db2.gz XDQFDGBJSUYBHB-RFQIPJPRSA-N 1 0 357.882 2.041 20 30 FEEDRO C#CC[N@H+](C)CCCN1C(=O)N[C@H](c2cccc(C(F)(F)F)c2)C1=O ZINC000925314926 684549472 /nfs/dbraw/zinc/54/94/72/684549472.db2.gz WGFQGORSJOFYGG-CQSZACIVSA-N 1 0 353.344 2.253 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N[C@]23CCC[C@H]2[NH2+]CC3)cc1C(F)(F)F ZINC000871817507 684862459 /nfs/dbraw/zinc/86/24/59/684862459.db2.gz RUELECCRCPVIFS-KGLIPLIRSA-N 1 0 359.373 2.140 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N[C@]23CCC[C@@H]2[NH2+]CC3)cc1C(F)(F)F ZINC000871817506 684862642 /nfs/dbraw/zinc/86/26/42/684862642.db2.gz RUELECCRCPVIFS-KBPBESRZSA-N 1 0 359.373 2.140 20 30 FEEDRO CC[C@@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)[C@H](O)c1ccccc1 ZINC000872250393 684932494 /nfs/dbraw/zinc/93/24/94/684932494.db2.gz HRIRFODRBNYJPE-RTBURBONSA-N 1 0 358.463 2.434 20 30 FEEDRO C=CCc1cc(C[NH2+][C@H]2CCCS(=O)(=O)CC2)cc(OC)c1OC ZINC000873044587 685057504 /nfs/dbraw/zinc/05/75/04/685057504.db2.gz RPFGAGJBOSJVDX-INIZCTEOSA-N 1 0 353.484 2.489 20 30 FEEDRO C[C@]12C[NH2+]C[C@H]1CN(C(=O)N[C@@H](c1cccc(C#N)c1)C(F)(F)F)C2 ZINC000873334481 685114012 /nfs/dbraw/zinc/11/40/12/685114012.db2.gz XHTHTGLHEMWVIZ-OFQRWUPVSA-N 1 0 352.360 2.413 20 30 FEEDRO C[NH+](C)CCOCCNC(=O)N[C@@H](c1cccc(C#N)c1)C(F)(F)F ZINC000875524241 686030476 /nfs/dbraw/zinc/03/04/76/686030476.db2.gz UJKJIPBRQHOXFN-AWEZNQCLSA-N 1 0 358.364 2.039 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H](C)c1ccc2c(c1)O[C@H](CC)C(=O)N2 ZINC000876686096 686243638 /nfs/dbraw/zinc/24/36/38/686243638.db2.gz PCETZIQWPCLGMM-SCDSUCTJSA-N 1 0 351.834 2.443 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H](CCSC)c1nnc2ccccn21 ZINC000876713479 686251005 /nfs/dbraw/zinc/25/10/05/686251005.db2.gz JTIIKYUPZXLXPU-RYUDHWBXSA-N 1 0 353.879 2.110 20 30 FEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000876728454 686254904 /nfs/dbraw/zinc/25/49/04/686254904.db2.gz MHRFCXMVJBMNRM-WCQYABFASA-N 1 0 371.268 2.382 20 30 FEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCN([C@H](C)c2cccc(OC)c2)CC1 ZINC000876755772 686261663 /nfs/dbraw/zinc/26/16/63/686261663.db2.gz WPCOFCSUYCNAAQ-RHSMWYFYSA-N 1 0 351.878 2.370 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NC1CCN(c2ccc(N(C)C)cc2)CC1 ZINC000876784408 686268375 /nfs/dbraw/zinc/26/83/75/686268375.db2.gz DSOLETWFMNCULM-KRWDZBQOSA-N 1 0 350.894 2.308 20 30 FEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)NCc1ccc(C)nc1-n1cc(Cl)cn1 ZINC000876895647 686289924 /nfs/dbraw/zinc/28/99/24/686289924.db2.gz HMGWXHHHNBXBNJ-CYBMUJFWSA-N 1 0 354.241 2.315 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N[C@](C)(Cc1ccc(Cl)cc1)C(=O)OC ZINC000877205250 686339547 /nfs/dbraw/zinc/33/95/47/686339547.db2.gz CRKSHEKOOOSNDL-XJKSGUPXSA-N 1 0 359.253 2.400 20 30 FEEDRO C#C[C@H]([NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1)C(C)(C)C ZINC000877535288 686404539 /nfs/dbraw/zinc/40/45/39/686404539.db2.gz XVYLJIHBMJBSQW-ZDUSSCGKSA-N 1 0 359.289 2.234 20 30 FEEDRO N#CCOc1ccc(C[N@H+](CCN2CCOCC2)[C@@H]2CCSC2)cc1 ZINC000878873379 686680417 /nfs/dbraw/zinc/68/04/17/686680417.db2.gz UDZLREPLARVRAG-GOSISDBHSA-N 1 0 361.511 2.229 20 30 FEEDRO N#Cc1cc(NC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)c(F)cc1F ZINC000880715336 687077950 /nfs/dbraw/zinc/07/79/50/687077950.db2.gz BJLHHGZPOCSONV-LBPRGKRZSA-N 1 0 350.369 2.022 20 30 FEEDRO C=C(C)C[C@H](NC(=O)C1CC[NH+]([C@H]2CCSC2)CC1)C(=O)OCC ZINC000881756578 687206074 /nfs/dbraw/zinc/20/60/74/687206074.db2.gz YAENCKAMXZCJNQ-HOTGVXAUSA-N 1 0 354.516 2.218 20 30 FEEDRO Cc1ccc(S(=O)(=O)N2CCN(c3cc[nH+]cc3)[C@@H](C)C2)c(C#N)c1 ZINC000882619643 687411210 /nfs/dbraw/zinc/41/12/10/687411210.db2.gz RXIPTENJKHPHRQ-HNNXBMFYSA-N 1 0 356.451 2.161 20 30 FEEDRO N#Cc1nc(NC(=O)N2CC[NH+](C3CCC3)CC2)ccc1Br ZINC000883089067 687561537 /nfs/dbraw/zinc/56/15/37/687561537.db2.gz ZQFXXHGNKJKNFS-UHFFFAOYSA-N 1 0 364.247 2.418 20 30 FEEDRO N#Cc1nc(NC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)ccc1Br ZINC000883092648 687561926 /nfs/dbraw/zinc/56/19/26/687561926.db2.gz VNNVCMFKZWOWBK-NSHDSACASA-N 1 0 362.231 2.194 20 30 FEEDRO N#Cc1nc(NC(=O)NCC[N@H+]2CC=CCC2)ccc1Br ZINC000883106314 687566992 /nfs/dbraw/zinc/56/69/92/687566992.db2.gz OPEFVQPLNWSFBL-UHFFFAOYSA-N 1 0 350.220 2.099 20 30 FEEDRO CC[C@H]1CN(C)CCN1C(=O)Nc1ccc(Br)c(C#N)n1 ZINC000883111148 687567723 /nfs/dbraw/zinc/56/77/23/687567723.db2.gz VFRCINAAMSCWIC-JTQLQIEISA-N 1 0 352.236 2.274 20 30 FEEDRO C=CCC[C@H]([NH2+]Cc1ccc(S(=O)(=O)CCO)cc1)[C@H]1CCCO1 ZINC000883219020 687589564 /nfs/dbraw/zinc/58/95/64/687589564.db2.gz LDPTXVQUYBBNJX-ZWKOTPCHSA-N 1 0 353.484 2.056 20 30 FEEDRO C=CCCCCCNC(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC000883711476 687707633 /nfs/dbraw/zinc/70/76/33/687707633.db2.gz OXUHHJKYANPHLV-UHFFFAOYSA-N 1 0 350.507 2.248 20 30 FEEDRO CSc1ccc(CNC(=O)NCCCC[NH+]2CCOCC2)cc1C#N ZINC000884077505 687784667 /nfs/dbraw/zinc/78/46/67/687784667.db2.gz NRPVAXLTCBJZSP-UHFFFAOYSA-N 1 0 362.499 2.192 20 30 FEEDRO C[C@@H]1CN(c2cc[nH+]cc2)CCN1S(=O)(=O)c1cccc(CC#N)c1 ZINC000885848251 688167850 /nfs/dbraw/zinc/16/78/50/688167850.db2.gz QAOUQTZKOZKYNU-OAHLLOKOSA-N 1 0 356.451 2.047 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N[C@H](CO)c2ccccc2C(F)(F)F)CC1 ZINC000886562599 688275018 /nfs/dbraw/zinc/27/50/18/688275018.db2.gz CRPJBWSIRVUYFM-MRXNPFEDSA-N 1 0 354.372 2.200 20 30 FEEDRO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]C2CCN(CC#N)CC2)C[C@H]1C(F)(F)F ZINC000892908211 689263255 /nfs/dbraw/zinc/26/32/55/689263255.db2.gz DCDTUVCHRKEJEJ-RBSFLKMASA-N 1 0 361.408 2.474 20 30 FEEDRO C=C(C)C[C@H](NC(=O)CC1([NH+]2CCOCC2)CCCC1)C(=O)OCC ZINC000893547661 689364996 /nfs/dbraw/zinc/36/49/96/689364996.db2.gz KONRONCWJYLOLW-INIZCTEOSA-N 1 0 352.475 2.036 20 30 FEEDRO O=C1[C@H]([NH2+]Cc2ccnc3c(Br)cccc23)CCCN1O ZINC000895158472 689669278 /nfs/dbraw/zinc/66/92/78/689669278.db2.gz JUNVJAWBOYRECY-CYBMUJFWSA-N 1 0 350.216 2.467 20 30 FEEDRO C=C[C@H](CO)[NH2+]Cc1cc(C)cc(Br)c1OCC(=O)OCC ZINC000895345449 689699905 /nfs/dbraw/zinc/69/99/05/689699905.db2.gz UEJAREOHSKUDDL-CYBMUJFWSA-N 1 0 372.259 2.336 20 30 FEEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]Cc1cccc(N(C)S(C)(=O)=O)c1 ZINC000898283286 690153780 /nfs/dbraw/zinc/15/37/80/690153780.db2.gz YCFYHYQJLUIBDC-OAHLLOKOSA-N 1 0 365.499 2.271 20 30 FEEDRO Cn1cc(NC(=S)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cn1 ZINC000899451664 690355450 /nfs/dbraw/zinc/35/54/50/690355450.db2.gz LRKFYDAJXMTDDU-UHFFFAOYSA-N 1 0 354.483 2.196 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000899920330 690439440 /nfs/dbraw/zinc/43/94/40/690439440.db2.gz HKHHYNWOARRMNM-UHFFFAOYSA-N 1 0 365.499 2.308 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)NCCC(=O)Nc1cc(Cl)ccc1OC ZINC000900935028 690590196 /nfs/dbraw/zinc/59/01/96/690590196.db2.gz RHCOFXOAWCCYCA-UHFFFAOYSA-N 1 0 353.850 2.301 20 30 FEEDRO CN([C@H](C[NH3+])C(F)(F)F)S(=O)(=O)c1c(C#N)sc2ccccc21 ZINC000903509967 690905073 /nfs/dbraw/zinc/90/50/73/690905073.db2.gz PXIZQYJUAAAIHJ-LLVKDONJSA-N 1 0 363.386 2.283 20 30 FEEDRO C[C@](O)(C[NH2+]C[C@@H]1CCN(CC(F)(F)F)C1)C(F)(F)C(F)(F)F ZINC000905058870 691062687 /nfs/dbraw/zinc/06/26/87/691062687.db2.gz JQFUMHMOXMMIPU-IUCAKERBSA-N 1 0 358.273 2.409 20 30 FEEDRO C[C@@]1(C[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)CCOC2(CCC2)C1 ZINC000905494628 691125761 /nfs/dbraw/zinc/12/57/61/691125761.db2.gz ZFDWVGBTMDNHDY-QGZVFWFLSA-N 1 0 363.483 2.056 20 30 FEEDRO Cc1c(Br)cccc1CC[NH2+]C[C@@H](O)CN(C)CCC#N ZINC000905560102 691140723 /nfs/dbraw/zinc/14/07/23/691140723.db2.gz IIHUGPHCXRQVMZ-OAHLLOKOSA-N 1 0 354.292 2.096 20 30 FEEDRO N#Cc1ccccc1OC[C@H](O)C[NH2+]C[C@H]1CCC[C@@H](C(F)(F)F)O1 ZINC000905565091 691141969 /nfs/dbraw/zinc/14/19/69/691141969.db2.gz GPSHKNQJNGXVAN-FMKPAKJESA-N 1 0 358.360 2.388 20 30 FEEDRO C=C(C)CNC(=S)NCC[NH+]1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000905619087 691152360 /nfs/dbraw/zinc/15/23/60/691152360.db2.gz IYXMZCMKWLNPAI-UHFFFAOYSA-N 1 0 356.536 2.016 20 30 FEEDRO C[NH+]1CCN(Cc2ccc(CNC(=O)c3ccsc3C#N)cc2)CC1 ZINC000906174726 691238861 /nfs/dbraw/zinc/23/88/61/691238861.db2.gz BBLXKDYOTXUBSL-UHFFFAOYSA-N 1 0 354.479 2.297 20 30 FEEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000906717876 691305980 /nfs/dbraw/zinc/30/59/80/691305980.db2.gz SVLJBOBLHRHHTE-QVHKTLOISA-N 1 0 358.467 2.028 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)NC[C@H](CO)Cc1ccc(Br)cc1 ZINC000907739023 691550544 /nfs/dbraw/zinc/55/05/44/691550544.db2.gz ROJXZHOUXUVKRF-OAHLLOKOSA-N 1 0 369.303 2.224 20 30 FEEDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)ncc1C#N)C2 ZINC001164813177 720089236 /nfs/dbraw/zinc/08/92/36/720089236.db2.gz SWHULXSFEHZKEK-MAUKXSAKSA-N 1 0 361.877 2.186 20 30 FEEDRO N#Cc1cc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)nc2ccccc12 ZINC001164746443 720760379 /nfs/dbraw/zinc/76/03/79/720760379.db2.gz YECNTQCOEOQBAD-IRXDYDNUSA-N 1 0 372.432 2.238 20 30 FEEDRO COCC[N@@H+]1CCO[C@H]2CN(c3nc(C)c(C#N)cc3Cl)CC[C@H]2C1 ZINC001164852925 720889711 /nfs/dbraw/zinc/88/97/11/720889711.db2.gz AJPXSSOZMAHSMO-YOEHRIQHSA-N 1 0 364.877 2.089 20 30 FEEDRO Cc1nc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)ccc1CC#N ZINC001164880932 721156937 /nfs/dbraw/zinc/15/69/37/721156937.db2.gz XWMRUFATBLHSFS-UXHICEINSA-N 1 0 363.465 2.331 20 30 FEEDRO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2C(F)(F)c1ccc(Cl)nc1C#N ZINC001164928046 721858291 /nfs/dbraw/zinc/85/82/91/721858291.db2.gz MWCLNUFTOJIDTM-GJZGRUSLSA-N 1 0 369.847 2.366 20 30 FEEDRO N#Cc1cccnc1N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164961942 722052486 /nfs/dbraw/zinc/05/24/86/722052486.db2.gz ZMGNIPYNVMSQMJ-UHFFFAOYSA-N 1 0 363.465 2.467 20 30 FEEDRO N#CCc1ccnc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164978008 722131724 /nfs/dbraw/zinc/13/17/24/722131724.db2.gz JDCCMRNTNVGVQO-WOJBJXKFSA-N 1 0 363.465 2.270 20 30 FEEDRO N#Cc1ccc(NC(=O)CC[N@@H+]2CCCC[C@@H]2C(=O)N2CCCC2)cc1 ZINC000109389943 210183958 /nfs/dbraw/zinc/18/39/58/210183958.db2.gz PXXBECGTWMIACX-GOSISDBHSA-N 1 0 354.454 2.364 20 30 FEEDRO C=CCc1ccccc1OC[C@@H](O)C[NH2+]Cc1ccc(C(=O)NC)cc1 ZINC000028920183 539839755 /nfs/dbraw/zinc/83/97/55/539839755.db2.gz RASYUSIDVGTHQE-IBGZPJMESA-N 1 0 354.450 2.304 20 30 FEEDRO COC(=O)c1ccc(OC[C@@H](O)C[NH2+][C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000030532472 539884190 /nfs/dbraw/zinc/88/41/90/539884190.db2.gz ILWCHXDVNZECDF-KSSFIOAISA-N 1 0 354.406 2.435 20 30 FEEDRO CC(=O)Nc1ccc(OC[C@H](O)C[N@@H+](C)Cc2ccc(C#N)cc2)cc1 ZINC000042123114 540052217 /nfs/dbraw/zinc/05/22/17/540052217.db2.gz GSRUYHUKFFCASM-LJQANCHMSA-N 1 0 353.422 2.388 20 30 FEEDRO N#Cc1ccc(NC(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000045027486 540146496 /nfs/dbraw/zinc/14/64/96/540146496.db2.gz PDTSIARCKIFHOO-UHFFFAOYSA-N 1 0 363.465 2.498 20 30 FEEDRO COc1cc(C#N)ccc1OCCCC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000076272838 542253271 /nfs/dbraw/zinc/25/32/71/542253271.db2.gz GBJOMFSWZYXFHG-MRXNPFEDSA-N 1 0 357.454 2.326 20 30 FEEDRO CC[NH+](CC)[C@H](C)CNC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000046280745 540251063 /nfs/dbraw/zinc/25/10/63/540251063.db2.gz XOFOEDGEVYSTRG-QGZVFWFLSA-N 1 0 357.502 2.116 20 30 FEEDRO Cc1csc(=O)n1CCC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000047011453 540284720 /nfs/dbraw/zinc/28/47/20/540284720.db2.gz UCDPGDFVBRFJCJ-UHFFFAOYSA-N 1 0 372.494 2.070 20 30 FEEDRO N#Cc1ccccc1N1CCCN(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000047104392 540290004 /nfs/dbraw/zinc/29/00/04/540290004.db2.gz KIRXYDGUPVNUDH-UYAOXDASSA-N 1 0 367.497 2.407 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Cn1ncc2ccccc2c1=O)C(C)C ZINC000047633760 540321904 /nfs/dbraw/zinc/32/19/04/540321904.db2.gz XENSZZDDDAFJDQ-IBGZPJMESA-N 1 0 368.481 2.211 20 30 FEEDRO N#Cc1cccc(NC(=O)C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)c1 ZINC000048852245 540375253 /nfs/dbraw/zinc/37/52/53/540375253.db2.gz LKBAKFDNUXEXTR-LJQANCHMSA-N 1 0 362.433 2.450 20 30 FEEDRO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](CC(=O)N(CC)C[C@@H](C)C#N)C1 ZINC000051050223 540420368 /nfs/dbraw/zinc/42/03/68/540420368.db2.gz VUKZZRAMCUBYQF-YESZJQIVSA-N 1 0 350.507 2.011 20 30 FEEDRO CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCC(C(=O)Nc2ccccc2)CC1 ZINC000051918585 540447319 /nfs/dbraw/zinc/44/73/19/540447319.db2.gz UQWJGOLRZCVWKZ-MRXNPFEDSA-N 1 0 356.470 2.345 20 30 FEEDRO CCOCCCNC(=O)[C@H](C)[N@@H+]1CCCN(c2ccc(C#N)cc2)CC1 ZINC000052800179 540490185 /nfs/dbraw/zinc/49/01/85/540490185.db2.gz OXRTVGRYRDHDTO-KRWDZBQOSA-N 1 0 358.486 2.002 20 30 FEEDRO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCC[C@H](C(=O)Nc2cccc(C)n2)C1 ZINC000054205752 540574973 /nfs/dbraw/zinc/57/49/73/540574973.db2.gz JMGVCGLHYTWRKS-WBVHZDCISA-N 1 0 371.485 2.049 20 30 FEEDRO C=CCN(CC=C)C(=O)C[NH+]1CCC(C(=O)Nc2nc(C)cs2)CC1 ZINC000054233230 540577006 /nfs/dbraw/zinc/57/70/06/540577006.db2.gz RFADSGGFNHOTFY-UHFFFAOYSA-N 1 0 362.499 2.303 20 30 FEEDRO CC(C)[C@@](C)(C#N)NC(=O)CN1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000055121137 540629774 /nfs/dbraw/zinc/62/97/74/540629774.db2.gz VYLZMQFKDIZKNH-HXUWFJFHSA-N 1 0 360.477 2.388 20 30 FEEDRO CC(C)[NH+](CCNC(=O)N1CCCN(c2ncccc2C#N)CC1)C(C)C ZINC000056547044 540732938 /nfs/dbraw/zinc/73/29/38/540732938.db2.gz BGIQRNDMEYCKGL-UHFFFAOYSA-N 1 0 372.517 2.294 20 30 FEEDRO C[NH+](C)CCOc1cccc(CNC(=O)COc2ccccc2C#N)c1 ZINC000056890432 540753567 /nfs/dbraw/zinc/75/35/67/540753567.db2.gz JWLHYXKWOQLMRV-UHFFFAOYSA-N 1 0 353.422 2.194 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Cn1c(C)c(C)sc1=O)C(C)C ZINC000056969088 540758438 /nfs/dbraw/zinc/75/84/38/540758438.db2.gz CQFJEFMRRVULEB-MRXNPFEDSA-N 1 0 351.516 2.341 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)CC1 ZINC000057152694 540773408 /nfs/dbraw/zinc/77/34/08/540773408.db2.gz VFULCSRJWBEKIS-SFHVURJKSA-N 1 0 354.450 2.467 20 30 FEEDRO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](C)[C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000057800494 540816037 /nfs/dbraw/zinc/81/60/37/540816037.db2.gz ACQWAOMZEQACCT-HNAYVOBHSA-N 1 0 354.458 2.315 20 30 FEEDRO COc1cc(C#N)ccc1OCC(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000057913899 540824214 /nfs/dbraw/zinc/82/42/14/540824214.db2.gz MGRSBTNMDMOGHX-INIZCTEOSA-N 1 0 369.421 2.492 20 30 FEEDRO N#Cc1ccc(OC[C@H](O)CN2CC[NH+](CC3CCCCC3)CC2)cc1 ZINC000064129483 541194365 /nfs/dbraw/zinc/19/43/65/541194365.db2.gz DOSGVNCZNAOVFT-HXUWFJFHSA-N 1 0 357.498 2.496 20 30 FEEDRO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)COc2ccc(C#N)cc2)cc1 ZINC000065747580 541257602 /nfs/dbraw/zinc/25/76/02/541257602.db2.gz PXJZARAYAKMDRK-UHFFFAOYSA-N 1 0 366.421 2.466 20 30 FEEDRO CC(=O)Nc1nc(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)cs1 ZINC000065930572 541272156 /nfs/dbraw/zinc/27/21/56/541272156.db2.gz IEUCUVMQLWHTQR-UHFFFAOYSA-N 1 0 371.466 2.177 20 30 FEEDRO COCC[N@@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)CC(C)C ZINC000065950298 541274118 /nfs/dbraw/zinc/27/41/18/541274118.db2.gz NFNVOPBXZJVSCJ-UHFFFAOYSA-N 1 0 355.442 2.287 20 30 FEEDRO C[C@H]1CCCCN1S(=O)(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000065975197 541276172 /nfs/dbraw/zinc/27/61/72/541276172.db2.gz KQYFQJQEKZHXOE-INIZCTEOSA-N 1 0 364.515 2.041 20 30 FEEDRO C[NH+](C)[C@@H](CNC(=O)CCC(=O)N(CCC#N)c1ccccc1)C1CC1 ZINC000066621618 541348977 /nfs/dbraw/zinc/34/89/77/541348977.db2.gz AJCLSQJPQKMEPC-SFHVURJKSA-N 1 0 356.470 2.170 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N(CCC)C[C@H]2COc3ccccc3O2)CC1 ZINC000067163797 541427455 /nfs/dbraw/zinc/42/74/55/541427455.db2.gz MXUQLKWMJVUPKG-SFHVURJKSA-N 1 0 356.466 2.410 20 30 FEEDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)Nc1cccc(OCC#N)c1 ZINC000067438558 541464241 /nfs/dbraw/zinc/46/42/41/541464241.db2.gz RGLPCEHHHJFJPW-OWCLPIDISA-N 1 0 372.469 2.010 20 30 FEEDRO N#Cc1c(F)cccc1-n1ccc(NC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)n1 ZINC000542838801 541484114 /nfs/dbraw/zinc/48/41/14/541484114.db2.gz LKNBGBRNJNYGNG-AWEZNQCLSA-N 1 0 366.400 2.361 20 30 FEEDRO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@H]1C(=O)N(CC)CC ZINC000067653559 541496326 /nfs/dbraw/zinc/49/63/26/541496326.db2.gz AKRQNCZNIRMPEI-OALUTQOASA-N 1 0 360.498 2.488 20 30 FEEDRO N#Cc1ccc(C[N@@H+](CCCS(N)(=O)=O)Cc2cccc(F)c2)cc1 ZINC000068458569 541594569 /nfs/dbraw/zinc/59/45/69/541594569.db2.gz REMBMACFPSVMKO-UHFFFAOYSA-N 1 0 361.442 2.378 20 30 FEEDRO Cc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000069121137 541659783 /nfs/dbraw/zinc/65/97/83/541659783.db2.gz LKFTYXUVRRFGEV-GOSISDBHSA-N 1 0 350.422 2.224 20 30 FEEDRO CN1CC[N@H+](C[C@H](O)COc2ccc(CC#N)cc2)Cc2ccccc21 ZINC000069168062 541665807 /nfs/dbraw/zinc/66/58/07/541665807.db2.gz VJOCDSYSFJCDGS-IBGZPJMESA-N 1 0 351.450 2.444 20 30 FEEDRO Cc1n[nH]c(=O)c(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1C ZINC000069537683 541695774 /nfs/dbraw/zinc/69/57/74/541695774.db2.gz FOGMIDMBAPMARY-UHFFFAOYSA-N 1 0 365.437 2.019 20 30 FEEDRO CC(=O)N(CCC(=O)N(CCC#N)CCC[NH+](C)C)Cc1ccccc1 ZINC000069576300 541698602 /nfs/dbraw/zinc/69/86/02/541698602.db2.gz HHRFETGATSUWNB-UHFFFAOYSA-N 1 0 358.486 2.119 20 30 FEEDRO CC[NH+]=C(NCCc1cccs1)N1CCN(C(=O)c2ccco2)CC1 ZINC000073183451 541928254 /nfs/dbraw/zinc/92/82/54/541928254.db2.gz DJHOMGZWALQSLX-UHFFFAOYSA-N 1 0 360.483 2.307 20 30 FEEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000073496606 541958917 /nfs/dbraw/zinc/95/89/17/541958917.db2.gz WJVYHMUUBHYYQH-CABCVRRESA-N 1 0 374.510 2.429 20 30 FEEDRO N#Cc1cc([N+](=O)[O-])cnc1NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000073772136 541997342 /nfs/dbraw/zinc/99/73/42/541997342.db2.gz WTWAYQCMCVVSNY-UHFFFAOYSA-N 1 0 366.425 2.486 20 30 FEEDRO COc1cc(C#N)ccc1OCCCC(=O)N1CC[C@@H]2CC[C@H](C1)[N@@H+]2C ZINC000073988576 542022908 /nfs/dbraw/zinc/02/29/08/542022908.db2.gz UTKCFNYSDHQMHV-DLBZAZTESA-N 1 0 357.454 2.421 20 30 FEEDRO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+](C)C[C@H](O)COCc1ccccc1 ZINC000074289688 542065027 /nfs/dbraw/zinc/06/50/27/542065027.db2.gz LQRNOFYXZSOBCE-HKUYNNGSSA-N 1 0 373.497 2.227 20 30 FEEDRO N#Cc1ccccc1-c1ccc(C[N@H+]2CCC[C@H]2CS(N)(=O)=O)cc1 ZINC000074315952 542068917 /nfs/dbraw/zinc/06/89/17/542068917.db2.gz CYVBELMNEYQTNM-SFHVURJKSA-N 1 0 355.463 2.478 20 30 FEEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000074656375 542107336 /nfs/dbraw/zinc/10/73/36/542107336.db2.gz HLJHQPGQSOTQBC-SFHVURJKSA-N 1 0 374.529 2.276 20 30 FEEDRO CC[NH+](CC)CCOC1CCN([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC1 ZINC000075007500 542144984 /nfs/dbraw/zinc/14/49/84/542144984.db2.gz RKHSJNBHOVLMLI-FXAWDEMLSA-N 1 0 366.550 2.252 20 30 FEEDRO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCC[C@H](c2nnc3ccccn32)C1 ZINC000076397756 542274377 /nfs/dbraw/zinc/27/43/77/542274377.db2.gz FNMGIMPKNIUMIU-IRXDYDNUSA-N 1 0 353.470 2.498 20 30 FEEDRO C[NH+]1CCC(C#N)(NC(=O)CCc2ccccc2Br)CC1 ZINC000077040230 542343817 /nfs/dbraw/zinc/34/38/17/542343817.db2.gz FRUSWAFBKONXDV-UHFFFAOYSA-N 1 0 350.260 2.486 20 30 FEEDRO C=CCc1ccccc1OC[C@@H](O)C[NH+]1CCC(NC(=O)C(C)C)CC1 ZINC000078482356 542463747 /nfs/dbraw/zinc/46/37/47/542463747.db2.gz IHMMHKQMTNOXKG-IBGZPJMESA-N 1 0 360.498 2.391 20 30 FEEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCC(=O)N1CCCC1 ZINC000078557711 542467308 /nfs/dbraw/zinc/46/73/08/542467308.db2.gz QBYSGLCWXFYSPP-UHFFFAOYSA-N 1 0 363.531 2.207 20 30 FEEDRO CO[C@H](C)c1nc(CN2CCC[N@H+](CCO[C@@H](C)C#N)CC2)cs1 ZINC000801926687 674155435 /nfs/dbraw/zinc/15/54/35/674155435.db2.gz UYRJSOWSEOWBEX-LSDHHAIUSA-N 1 0 352.504 2.287 20 30 FEEDRO C[C@@H](C#N)CN(C)C(=O)NCCC[N@@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000079351773 542513366 /nfs/dbraw/zinc/51/33/66/542513366.db2.gz CRWKTQIVEKXFFZ-PKOBYXMFSA-N 1 0 357.502 2.166 20 30 FEEDRO CCN1CC[C@H]([NH2+]CC(=O)NCCC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000801958067 674157009 /nfs/dbraw/zinc/15/70/09/674157009.db2.gz WHKZKHLNJNCJLN-RDJZCZTQSA-N 1 0 352.841 2.234 20 30 FEEDRO N#CCSc1cccc(C(=O)N2CCN(CC[NH+]3CCCC3)CC2)c1 ZINC000079505911 542523606 /nfs/dbraw/zinc/52/36/06/542523606.db2.gz MFHLRAVPOUTAOG-UHFFFAOYSA-N 1 0 358.511 2.156 20 30 FEEDRO CN1CC[NH+](CC2CCN(C(=O)c3cccc(SCC#N)c3)CC2)CC1 ZINC000079536509 542524946 /nfs/dbraw/zinc/52/49/46/542524946.db2.gz SFGGQAMAILKVQZ-UHFFFAOYSA-N 1 0 372.538 2.402 20 30 FEEDRO C[C@@H](CNC(=O)N1CCN(c2cccc(F)c2C#N)CC1)C[NH+]1CCCC1 ZINC000080051338 542559822 /nfs/dbraw/zinc/55/98/22/542559822.db2.gz CZMFZEOZKJYCMV-INIZCTEOSA-N 1 0 373.476 2.261 20 30 FEEDRO C[C@@H]1C[C@@H](NC(=O)NC2CCN(CC#N)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000080122542 542567263 /nfs/dbraw/zinc/56/72/63/542567263.db2.gz NPSUCKMPMSUIGM-XLIONFOSSA-N 1 0 369.513 2.327 20 30 FEEDRO CC[NH+](CC)CCSCC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000081230189 542639995 /nfs/dbraw/zinc/63/99/95/542639995.db2.gz KSDYCGNZHLUHJX-UHFFFAOYSA-N 1 0 374.554 2.277 20 30 FEEDRO C[C@H](C#N)CSc1ccccc1NC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000081366532 542651419 /nfs/dbraw/zinc/65/14/19/542651419.db2.gz PNCSKAGKQCRMEK-HUUCEWRRSA-N 1 0 374.510 2.287 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)c2cc(C)c(OCC(=O)OC)c(C)c2)CC1 ZINC000084295955 542711273 /nfs/dbraw/zinc/71/12/73/542711273.db2.gz HGFGORWOTMMWFW-UHFFFAOYSA-N 1 0 360.454 2.235 20 30 FEEDRO CC[NH+]=C(NCC1CCSCC1)N[C@@H]1CCCN(c2ncccn2)C1 ZINC000086881521 542740534 /nfs/dbraw/zinc/74/05/34/542740534.db2.gz MOEKPQGYNPEQMG-MRXNPFEDSA-N 1 0 362.547 2.144 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)NC[C@H](C)c2nc(-c3ccccc3)no2)CC1 ZINC000089953578 542776638 /nfs/dbraw/zinc/77/66/38/542776638.db2.gz OMAPKOSCRIOAHZ-HNNXBMFYSA-N 1 0 352.438 2.302 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1cnc2c(C)cccn2c1=O)C(C)C ZINC000091053727 542792554 /nfs/dbraw/zinc/79/25/54/542792554.db2.gz ABFNUAIPWCLMRR-GOSISDBHSA-N 1 0 368.481 2.431 20 30 FEEDRO CC[N@@H+]1CCCN(C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)CC1 ZINC000092407396 542861815 /nfs/dbraw/zinc/86/18/15/542861815.db2.gz NQAOEVURIJXPKS-UHFFFAOYSA-N 1 0 371.485 2.380 20 30 FEEDRO CCS[C@@H]1CCCC[N@H+](CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)C1 ZINC000092618633 542875371 /nfs/dbraw/zinc/87/53/71/542875371.db2.gz PMKXNWHHCRMHKF-MSOLQXFVSA-N 1 0 366.575 2.286 20 30 FEEDRO N#Cc1ccncc1N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000094152282 542954799 /nfs/dbraw/zinc/95/47/99/542954799.db2.gz JJNZTEUOOKNHSE-SFHVURJKSA-N 1 0 362.481 2.387 20 30 FEEDRO CC[N@H+](CCNC(=O)N1CCN(c2ccc(C#N)cc2F)CC1)C1CC1 ZINC000102065289 543058664 /nfs/dbraw/zinc/05/86/64/543058664.db2.gz VZNMDJNKPIFBGU-UHFFFAOYSA-N 1 0 359.449 2.013 20 30 FEEDRO COc1ccc(NC(=[NH2+])NCc2ccc(C(=O)N(C)C)cc2)cc1OC ZINC000104159896 543125447 /nfs/dbraw/zinc/12/54/47/543125447.db2.gz OZNORSWGRMCWGR-UHFFFAOYSA-N 1 0 356.426 2.332 20 30 FEEDRO CC1(C)NC(=O)N(CCC[NH+]2CCC(Oc3cccc(C#N)c3)CC2)C1=O ZINC000104712727 543138274 /nfs/dbraw/zinc/13/82/74/543138274.db2.gz GITPYKXCCSICQA-UHFFFAOYSA-N 1 0 370.453 2.122 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)c2ccc(N3C[C@@H](C)O[C@@H](C)C3)nc2)CC1 ZINC000106037729 543186047 /nfs/dbraw/zinc/18/60/47/543186047.db2.gz KXEVYFLCEXXQCC-CALCHBBNSA-N 1 0 372.513 2.466 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2cccc(C(=O)NCC)c2)CC1 ZINC000106265042 543221690 /nfs/dbraw/zinc/22/16/90/543221690.db2.gz ARKBFCNETKOOHH-UHFFFAOYSA-N 1 0 358.486 2.276 20 30 FEEDRO CC1CC[NH+](Cc2ccc(CNC(=O)N3CCO[C@@H](C#N)C3)cc2)CC1 ZINC000106330787 543223601 /nfs/dbraw/zinc/22/36/01/543223601.db2.gz PBZQZWCHDSZOMX-IBGZPJMESA-N 1 0 356.470 2.352 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H](O)COc2cccc(C)c2)CC1 ZINC000106340601 543224139 /nfs/dbraw/zinc/22/41/39/543224139.db2.gz RHSJCLOIGDYQTM-GOSISDBHSA-N 1 0 361.486 2.074 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(N(C)C)c(C)c2)CC1 ZINC000106349614 543224841 /nfs/dbraw/zinc/22/48/41/543224841.db2.gz FWTTZLLCYBZVRN-UHFFFAOYSA-N 1 0 358.486 2.156 20 30 FEEDRO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C[C@@H](O)CN1C[C@@H](C)O[C@@H](C)C1 ZINC000106384021 543227023 /nfs/dbraw/zinc/22/70/23/543227023.db2.gz FZQISFJRUWOQCD-JTDSTZFVSA-N 1 0 363.458 2.053 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)NCCc2nc(-c3ccccn3)cs2)CC1 ZINC000109881052 543342754 /nfs/dbraw/zinc/34/27/54/543342754.db2.gz HLZPZIUEZQZAGZ-UHFFFAOYSA-N 1 0 354.479 2.209 20 30 FEEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000111234091 543388687 /nfs/dbraw/zinc/38/86/87/543388687.db2.gz DBIAWPNKEWSRLS-ZDUSSCGKSA-N 1 0 355.442 2.143 20 30 FEEDRO CNC(=O)[C@H]1CCC[N@H+](CC(=O)N(CCC#N)c2ccc(C)c(C)c2)C1 ZINC000111267100 543390400 /nfs/dbraw/zinc/39/04/00/543390400.db2.gz ZPABYRHWGLBJFG-KRWDZBQOSA-N 1 0 356.470 2.008 20 30 FEEDRO C[C@H](CNC(=O)CCCCOc1cccc(C#N)c1)C[NH+]1CCN(C)CC1 ZINC000111661166 543410494 /nfs/dbraw/zinc/41/04/94/543410494.db2.gz PARKQAOTZGATPS-GOSISDBHSA-N 1 0 372.513 2.107 20 30 FEEDRO Cc1nn(-c2ccccc2)c(C)c1C[NH2+]CCNC(=O)C1N=CC=CC1=O ZINC000113361022 543484389 /nfs/dbraw/zinc/48/43/89/543484389.db2.gz PENSQONHIAOXPQ-FMQUCBEESA-N 1 0 365.437 2.105 20 30 FEEDRO O=C(NCC[NH2+]Cc1c(F)cccc1N1CCCC1)C1N=CC=CC1=O ZINC000113361000 543484401 /nfs/dbraw/zinc/48/44/01/543484401.db2.gz NDLVVIPEZCNECR-HNENSFHCSA-N 1 0 358.417 2.042 20 30 FEEDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)NCc2cccc(C#N)c2)[C@H](C)C1 ZINC000115702185 543582016 /nfs/dbraw/zinc/58/20/16/543582016.db2.gz PJDHTXYVLAUOQL-VQIMIIECSA-N 1 0 358.486 2.494 20 30 FEEDRO C=CCN(C)CC(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000121517803 543695646 /nfs/dbraw/zinc/69/56/46/543695646.db2.gz QGLNKDRZSOAZEU-UHFFFAOYSA-N 1 0 365.499 2.308 20 30 FEEDRO C=CCCS(=O)(=O)N[C@H](CC)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000121634912 543697591 /nfs/dbraw/zinc/69/75/91/543697591.db2.gz ZOLOAHSOKRUBDY-QZTJIDSGSA-N 1 0 352.500 2.162 20 30 FEEDRO C#CCOc1cccc(NC(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)c1 ZINC000120110254 543675323 /nfs/dbraw/zinc/67/53/23/543675323.db2.gz IBDKPLQADSZXPP-UHFFFAOYSA-N 1 0 370.497 2.379 20 30 FEEDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)Nc3ccc(C(C)(C)C#N)cc3)CC[C@H]21 ZINC000120317667 543678067 /nfs/dbraw/zinc/67/80/67/543678067.db2.gz IVMOQYVBXKEIQU-CRAIPNDOSA-N 1 0 368.481 2.369 20 30 FEEDRO CC[NH+](CC)CCOc1ccc(C(=O)NCC2CCN(CC#N)CC2)cc1 ZINC000123191770 543747514 /nfs/dbraw/zinc/74/75/14/543747514.db2.gz YQHKVMFUIMITAK-UHFFFAOYSA-N 1 0 372.513 2.373 20 30 FEEDRO C[N@H+](CCC(=O)Nc1sccc1C#N)CC(C)(C)CN1CCOCC1 ZINC000123707839 543778417 /nfs/dbraw/zinc/77/84/17/543778417.db2.gz IZNICPKTUUAHAJ-UHFFFAOYSA-N 1 0 364.515 2.239 20 30 FEEDRO COCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000124863742 543847322 /nfs/dbraw/zinc/84/73/22/543847322.db2.gz XUPUHANYZZUWPC-KRWDZBQOSA-N 1 0 358.486 2.448 20 30 FEEDRO N#Cc1cc(F)c(S(=O)(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)c(F)c1 ZINC000125263815 543871969 /nfs/dbraw/zinc/87/19/69/543871969.db2.gz FSLSWOBLQOODPD-CQSZACIVSA-N 1 0 369.437 2.475 20 30 FEEDRO N#Cc1ccc(C(=O)Nc2cccc(C[NH+]3CCC(CO)CC3)c2)nc1 ZINC000127039656 543969623 /nfs/dbraw/zinc/96/96/23/543969623.db2.gz BMFJMHZOSSUQBQ-UHFFFAOYSA-N 1 0 350.422 2.410 20 30 FEEDRO CN(CC[N@H+](C)C1CCN(C)CC1)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000126483680 543938694 /nfs/dbraw/zinc/93/86/94/543938694.db2.gz VVXFSCGJVWDGRQ-UHFFFAOYSA-N 1 0 368.485 2.066 20 30 FEEDRO O=C(C#Cc1ccc2c(c1)OCO2)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000126552593 543942710 /nfs/dbraw/zinc/94/27/10/543942710.db2.gz NDUINDVUACONTL-FUHWJXTLSA-N 1 0 352.434 2.242 20 30 FEEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)[C@H](C)C1 ZINC000127289314 543983558 /nfs/dbraw/zinc/98/35/58/543983558.db2.gz VCVGIJZTEGKTMH-MLGOLLRUSA-N 1 0 362.861 2.339 20 30 FEEDRO C#CCC[NH+]1CCN(Cc2csc(-c3ccc(C(N)=O)cc3)n2)CC1 ZINC000127303395 543984433 /nfs/dbraw/zinc/98/44/33/543984433.db2.gz LSAJHFFZGBLYAN-UHFFFAOYSA-N 1 0 354.479 2.050 20 30 FEEDRO N#Cc1ccc(NC(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)cc1Cl ZINC000127409985 543991362 /nfs/dbraw/zinc/99/13/62/543991362.db2.gz JAGIQRWETBXEPL-ZDUSSCGKSA-N 1 0 360.845 2.094 20 30 FEEDRO C[C@@H]1CCC[N@@H+]1C1CCN(CCS(=O)(=O)c2cccc(C#N)c2)CC1 ZINC000128709464 544067947 /nfs/dbraw/zinc/06/79/47/544067947.db2.gz DTHGVYPOOWYGTQ-MRXNPFEDSA-N 1 0 361.511 2.281 20 30 FEEDRO CC(C)[C@H](CNC(=O)C(C)(C)Oc1ccc(C#N)cc1)[NH+]1CCN(C)CC1 ZINC000129732349 544125282 /nfs/dbraw/zinc/12/52/82/544125282.db2.gz LYBNVKYCMHOGEE-IBGZPJMESA-N 1 0 372.513 2.104 20 30 FEEDRO C[NH+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)C1 ZINC000129950907 544132920 /nfs/dbraw/zinc/13/29/20/544132920.db2.gz SRSMXJFWGPEVPM-DLBZAZTESA-N 1 0 373.476 2.259 20 30 FEEDRO N#Cc1ccc(CSCC(=O)NCCCC[N@H+]2CCC[C@H]2CO)cc1 ZINC000131494834 544192537 /nfs/dbraw/zinc/19/25/37/544192537.db2.gz SUEGGSIJRJQWGK-SFHVURJKSA-N 1 0 361.511 2.145 20 30 FEEDRO COc1ccc(C[NH2+]C[C@H]2CCCS2(=O)=O)cc1OCCCC#N ZINC000131768532 544205979 /nfs/dbraw/zinc/20/59/79/544205979.db2.gz QFOSMTDOWOSJFA-OAHLLOKOSA-N 1 0 352.456 2.045 20 30 FEEDRO C[C@@H]1C[N@@H+](CCCCNC(=O)c2c(F)cc(C#N)cc2F)C[C@H](C)O1 ZINC000132283955 544225862 /nfs/dbraw/zinc/22/58/62/544225862.db2.gz AHJUHEDMWRIADF-BETUJISGSA-N 1 0 351.397 2.456 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@H]2CCCN(C(=O)NCC(C)C)C2)CC1 ZINC000133059907 544254511 /nfs/dbraw/zinc/25/45/11/544254511.db2.gz QWTJOCTUOSZTIL-KRWDZBQOSA-N 1 0 364.534 2.221 20 30 FEEDRO N#Cc1ccc(NC(=O)CC[N@@H+]2CCOC3(CCOCC3)C2)cc1Cl ZINC000135610292 544355928 /nfs/dbraw/zinc/35/59/28/544355928.db2.gz GTYOVQAICMSYNW-UHFFFAOYSA-N 1 0 363.845 2.422 20 30 FEEDRO CN(C(=O)CCC(=O)N(CCC#N)c1ccccc1)[C@@H]1CCC[N@H+](C)C1 ZINC000151133193 544508476 /nfs/dbraw/zinc/50/84/76/544508476.db2.gz GULNTBRHRJGPQL-GOSISDBHSA-N 1 0 356.470 2.266 20 30 FEEDRO CCNC(=O)N1CC[C@@H]([NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000152676609 544682314 /nfs/dbraw/zinc/68/23/14/544682314.db2.gz GCXBNPGUTMMGSP-GOSISDBHSA-N 1 0 366.469 2.357 20 30 FEEDRO C[C@H](CNC(=O)[C@H](C)[N@H+](C)CCCc1[nH]nc(N)c1C#N)c1ccccc1 ZINC000153291340 544756914 /nfs/dbraw/zinc/75/69/14/544756914.db2.gz DZEYCEJDUYQDAD-CABCVRRESA-N 1 0 368.485 2.036 20 30 FEEDRO CC(C)[C@@H](C)NC(=O)C1CC[NH+](C[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC000153893631 544836742 /nfs/dbraw/zinc/83/67/42/544836742.db2.gz CDGHPRFFXNAVMP-VQIMIIECSA-N 1 0 373.497 2.171 20 30 FEEDRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(CCOc2ccccc2C#N)CC1 ZINC000153910673 544838846 /nfs/dbraw/zinc/83/88/46/544838846.db2.gz NGAJAVGYUJJINV-KDURUIRLSA-N 1 0 356.514 2.427 20 30 FEEDRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(CCOc2cccc(C#N)c2)CC1 ZINC000153916672 544839733 /nfs/dbraw/zinc/83/97/33/544839733.db2.gz RZXDXFGYYRDNGD-RTBURBONSA-N 1 0 356.514 2.427 20 30 FEEDRO CS(=O)(=O)N[C@@H]1CCC[C@H]1C[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000154331986 544892179 /nfs/dbraw/zinc/89/21/79/544892179.db2.gz LJCRWDVLHLTHIA-FUHWJXTLSA-N 1 0 365.499 2.177 20 30 FEEDRO Cc1c([C@@H](C)[NH2+]CC(=O)Nc2c(C#N)cnn2-c2ccccc2)cnn1C ZINC000183421074 327816796 /nfs/dbraw/zinc/81/67/96/327816796.db2.gz LMYRIIWUJMBHOK-CYBMUJFWSA-N 1 0 363.425 2.075 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000183562282 327824521 /nfs/dbraw/zinc/82/45/21/327824521.db2.gz DVPDXOFPBOHTBE-UHFFFAOYSA-N 1 0 368.397 2.457 20 30 FEEDRO CC[NH+](CC)[C@@H](CNS(=O)(=O)c1ccc(C#N)o1)Cc1ccccc1 ZINC000553772895 674285264 /nfs/dbraw/zinc/28/52/64/674285264.db2.gz ANMLOLHEAHISJH-MRXNPFEDSA-N 1 0 361.467 2.383 20 30 FEEDRO CCO[C@@H]1C[C@@](CO)([NH2+]CC(=O)Nc2cc(Cl)ccc2C#N)C1(C)C ZINC000189959867 328178802 /nfs/dbraw/zinc/17/88/02/328178802.db2.gz AAXBCQKZLRVGAE-QAPCUYQASA-N 1 0 365.861 2.306 20 30 FEEDRO COc1ccccc1CC(=O)N1CCC([NH2+]Cc2cc(C#N)n(C)c2)CC1 ZINC000190912815 328239784 /nfs/dbraw/zinc/23/97/84/328239784.db2.gz WAMWEFWKKNKABQ-UHFFFAOYSA-N 1 0 366.465 2.229 20 30 FEEDRO Cc1nn(C)c2ncc(C[NH2+][C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)cc12 ZINC000192243714 328308682 /nfs/dbraw/zinc/30/86/82/328308682.db2.gz GXIIBTIMVJXWMA-IBGZPJMESA-N 1 0 374.448 2.039 20 30 FEEDRO C[C@H](NC(=O)c1ccnc(C#N)c1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000193048213 328353877 /nfs/dbraw/zinc/35/38/77/328353877.db2.gz OUQFMUXAQLDDNZ-AWEZNQCLSA-N 1 0 367.428 2.335 20 30 FEEDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)C1 ZINC000193053736 328354506 /nfs/dbraw/zinc/35/45/06/328354506.db2.gz YQGCFOFPBCQALA-HNNXBMFYSA-N 1 0 373.501 2.244 20 30 FEEDRO Cc1nc(C#N)c(N2CCC(C(=O)N(CC[NH+](C)C)C3CCCC3)CC2)o1 ZINC000193249821 328364922 /nfs/dbraw/zinc/36/49/22/328364922.db2.gz IBNYHTUIAAFONA-UHFFFAOYSA-N 1 0 373.501 2.404 20 30 FEEDRO C[NH+](C)CCN(C(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C)C1CCCC1 ZINC000193322866 328368842 /nfs/dbraw/zinc/36/88/42/328368842.db2.gz FWYVJDWZEXCKGK-UHFFFAOYSA-N 1 0 373.501 2.386 20 30 FEEDRO N#Cc1ccc(C[N@H+]2CCCN(CC(=O)Nc3nccs3)CC2)cc1 ZINC000022136710 324397888 /nfs/dbraw/zinc/39/78/88/324397888.db2.gz MYFXLDXWCSULNS-UHFFFAOYSA-N 1 0 355.467 2.161 20 30 FEEDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000081364653 325172291 /nfs/dbraw/zinc/17/22/91/325172291.db2.gz STQDMVRAALKHIB-ZDUSSCGKSA-N 1 0 362.861 2.340 20 30 FEEDRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+]CCOc2ccc(C#N)cc2)cc1 ZINC000090107188 325353979 /nfs/dbraw/zinc/35/39/79/325353979.db2.gz NJHHEVZLMNZCON-AWEZNQCLSA-N 1 0 359.451 2.196 20 30 FEEDRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]CCOc2ccc(C#N)cc2)cc1 ZINC000090107191 325354037 /nfs/dbraw/zinc/35/40/37/325354037.db2.gz NJHHEVZLMNZCON-CQSZACIVSA-N 1 0 359.451 2.196 20 30 FEEDRO C[NH+](C)C[C@](C)(O)CNC(=O)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000091247468 325383606 /nfs/dbraw/zinc/38/36/06/325383606.db2.gz KMYWQLFKBUBJBK-OAQYLSRUSA-N 1 0 366.465 2.337 20 30 FEEDRO CN(C(=O)COc1ccc(C#N)cc1)C1CC[NH+](Cc2ccncc2)CC1 ZINC000116166159 325996851 /nfs/dbraw/zinc/99/68/51/325996851.db2.gz YOSFYTVNYXZYCO-UHFFFAOYSA-N 1 0 364.449 2.455 20 30 FEEDRO CC[N@H+](CCNC(=O)C(=O)Nc1cc(C#N)ccc1OC(C)C)C(C)C ZINC000118119879 326083308 /nfs/dbraw/zinc/08/33/08/326083308.db2.gz DKYWVVBYPNWDSD-UHFFFAOYSA-N 1 0 360.458 2.130 20 30 FEEDRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)Nc1ccc(Cl)c(C#N)c1 ZINC000119977817 326217996 /nfs/dbraw/zinc/21/79/96/326217996.db2.gz GMVNFAHJTIBWTO-OAHLLOKOSA-N 1 0 362.861 2.483 20 30 FEEDRO C[N@H+](CCCO)C1CCN(Cc2ncc(-c3ccc(C#N)cc3)o2)CC1 ZINC000120750051 326284866 /nfs/dbraw/zinc/28/48/66/326284866.db2.gz OQXZKGMDSREJOA-UHFFFAOYSA-N 1 0 354.454 2.492 20 30 FEEDRO CCC[C@H]1CN([C@@H](C)C(=O)Nc2ccccc2C#N)CC[N@@H+]1CCOC ZINC000121637010 326354015 /nfs/dbraw/zinc/35/40/15/326354015.db2.gz AGZCYDMZUJYUIE-WMZOPIPTSA-N 1 0 358.486 2.318 20 30 FEEDRO N#Cc1ccc([C@H](O)C[NH+]2CCN(c3ncnc4sccc43)CC2)cc1 ZINC000122154447 326385906 /nfs/dbraw/zinc/38/59/06/326385906.db2.gz YCZVTRBEDPNVPU-QGZVFWFLSA-N 1 0 365.462 2.419 20 30 FEEDRO C[NH+](C)CCN(Cc1ccccc1F)C(=O)C(=O)Nc1cccc(C#N)c1 ZINC000128524871 326525277 /nfs/dbraw/zinc/52/52/77/326525277.db2.gz RGLIOHHGXAHULC-UHFFFAOYSA-N 1 0 368.412 2.226 20 30 FEEDRO CC(C)NC(=O)CC[NH+]1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000130829391 326564127 /nfs/dbraw/zinc/56/41/27/326564127.db2.gz AIKCMGJUFCOSDM-UHFFFAOYSA-N 1 0 351.454 2.143 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)COc1ccccc1O ZINC000132733558 326597226 /nfs/dbraw/zinc/59/72/26/326597226.db2.gz JOSIYVXDAWUBPC-UHFFFAOYSA-N 1 0 353.422 2.233 20 30 FEEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000133460221 326609130 /nfs/dbraw/zinc/60/91/30/326609130.db2.gz VROWHPZJILXUNW-CQSZACIVSA-N 1 0 374.485 2.376 20 30 FEEDRO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccc(C#N)cc1F)c1ccccc1 ZINC000135660077 326646132 /nfs/dbraw/zinc/64/61/32/326646132.db2.gz JUQFKKMCSSLDIK-QGZVFWFLSA-N 1 0 354.385 2.055 20 30 FEEDRO COC(=O)c1ccc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)o1 ZINC000157664430 326871604 /nfs/dbraw/zinc/87/16/04/326871604.db2.gz NXFJOUSBENASQS-UHFFFAOYSA-N 1 0 355.394 2.142 20 30 FEEDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NS(=O)(=O)c1ccc(C#N)cc1 ZINC000162367758 327023903 /nfs/dbraw/zinc/02/39/03/327023903.db2.gz UWSWFQFMVLZNTM-KXBFYZLASA-N 1 0 355.463 2.357 20 30 FEEDRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000174092888 327305895 /nfs/dbraw/zinc/30/58/95/327305895.db2.gz ZUPGXZDCLBNZLA-LBPRGKRZSA-N 1 0 369.391 2.334 20 30 FEEDRO N#Cc1ccc(NC(=O)CC[NH+]2CCN(Cc3cccc(O)c3)CC2)cc1 ZINC000174663633 327342357 /nfs/dbraw/zinc/34/23/57/327342357.db2.gz DGHJJDGOYPRVFY-UHFFFAOYSA-N 1 0 364.449 2.410 20 30 FEEDRO C[C@@H]1C[NH+](Cc2ccc(CNC(=O)c3cc(C#N)c[nH]3)cc2)C[C@@H](C)O1 ZINC000175269667 327383487 /nfs/dbraw/zinc/38/34/87/327383487.db2.gz KPMCOJKZQLZRMD-HUUCEWRRSA-N 1 0 352.438 2.426 20 30 FEEDRO C[C@H](NC(=O)c1cc(C#N)c[nH]1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000175502568 327396661 /nfs/dbraw/zinc/39/66/61/327396661.db2.gz ZUUNNHDKMXYDOB-ZDUSSCGKSA-N 1 0 355.417 2.268 20 30 FEEDRO Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000177491729 327526168 /nfs/dbraw/zinc/52/61/68/327526168.db2.gz PIXIITNRMVHROO-IRXDYDNUSA-N 1 0 368.485 2.139 20 30 FEEDRO C[NH2+]CC1CCN(S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)CC1 ZINC000262091884 328841433 /nfs/dbraw/zinc/84/14/33/328841433.db2.gz RUUBOYPRJHPUPX-UHFFFAOYSA-N 1 0 361.389 2.197 20 30 FEEDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)COc2ccc(C#N)cc2)[C@@H](C)C1 ZINC000265293471 329111430 /nfs/dbraw/zinc/11/14/30/329111430.db2.gz QJKXXGJCCUDWOT-QFBILLFUSA-N 1 0 359.470 2.190 20 30 FEEDRO C[NH+](C)CCOc1ccccc1N1CCN(c2ncccc2C#N)CC1 ZINC000265528917 329136056 /nfs/dbraw/zinc/13/60/56/329136056.db2.gz AOILRVUDXJBSQB-UHFFFAOYSA-N 1 0 351.454 2.220 20 30 FEEDRO CCO[C@H]1C[C@H](O)C12CC[NH+](CCOc1ccc(C#N)cc1OC)CC2 ZINC000265954124 329176252 /nfs/dbraw/zinc/17/62/52/329176252.db2.gz HWLWHBHOSLCQGN-OALUTQOASA-N 1 0 360.454 2.198 20 30 FEEDRO N#Cc1cc(F)c(S(=O)(=O)N2CC[C@H]([NH+]3CCCCC3)C2)c(F)c1 ZINC000268181126 329394135 /nfs/dbraw/zinc/39/41/35/329394135.db2.gz NPOCSJSKNWXLTA-ZDUSSCGKSA-N 1 0 355.410 2.085 20 30 FEEDRO C[NH+](C)C[C@H]1CN(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CCO1 ZINC000271600588 329706828 /nfs/dbraw/zinc/70/68/28/329706828.db2.gz ZHCNSVAUGKJTQP-ZDUSSCGKSA-N 1 0 356.348 2.371 20 30 FEEDRO COCCOc1ccc(C#N)cc1NC(=O)N1CC[NH+](C2CCC2)CC1 ZINC000273083807 329835662 /nfs/dbraw/zinc/83/56/62/329835662.db2.gz DREITKAHCVVQCS-UHFFFAOYSA-N 1 0 358.442 2.285 20 30 FEEDRO CS[C@@H]1CN([C@H](C)C(=O)Nc2ccccc2C#N)C[C@@H]1[NH+]1CCCC1 ZINC000274012235 329908702 /nfs/dbraw/zinc/90/87/02/329908702.db2.gz KZGYSKMJYHXUER-FHLIZLRMSA-N 1 0 358.511 2.397 20 30 FEEDRO Cc1nc(C#N)c(N2CCC(C(=O)N(C)[C@@H]3CC[N@H+](C)[C@H](C)C3)CC2)o1 ZINC000276415346 330149789 /nfs/dbraw/zinc/14/97/89/330149789.db2.gz JBHRHMMEJDIWDQ-CZUORRHYSA-N 1 0 359.474 2.012 20 30 FEEDRO Cc1ccc(CN2CC[C@@H]([NH2+]Cc3cnc4ccc(C#N)cn34)C2=O)cc1 ZINC000367041387 330210327 /nfs/dbraw/zinc/21/03/27/330210327.db2.gz VQNIOOMKSAYAPK-LJQANCHMSA-N 1 0 359.433 2.405 20 30 FEEDRO C[C@@H]1[C@@H]([NH2+]Cc2cnc3ccc(C#N)cn23)CC(=O)N1Cc1ccccc1 ZINC000367046813 330210972 /nfs/dbraw/zinc/21/09/72/330210972.db2.gz BXYKYAYJZMAPTE-BEFAXECRSA-N 1 0 359.433 2.485 20 30 FEEDRO C[C@]1(CNS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)CCC[NH2+]C1 ZINC000440865721 330278024 /nfs/dbraw/zinc/27/80/24/330278024.db2.gz YHIIZHDFHMZOGG-AWEZNQCLSA-N 1 0 361.389 2.245 20 30 FEEDRO C#CCNc1nc(NC[C@H]2CCSC2)[nH+]c(NC[C@H]2CCSC2)n1 ZINC000804677108 674296729 /nfs/dbraw/zinc/29/67/29/674296729.db2.gz JEXYTPTUWOEYKS-CHWSQXEVSA-N 1 0 364.544 2.247 20 30 FEEDRO C#C[C@@H](NC(=O)NCCC[N@@H+](C)CCOC)c1ccc(Cl)cc1F ZINC000805180802 674324438 /nfs/dbraw/zinc/32/44/38/674324438.db2.gz DMLRDRSZZLEKCN-MRXNPFEDSA-N 1 0 355.841 2.421 20 30 FEEDRO C#C[C@H](NC(=O)N[C@H](C)CN1CC[NH+](C)CC1)c1ccc(Cl)cc1F ZINC000805186374 674324946 /nfs/dbraw/zinc/32/49/46/674324946.db2.gz GTQTVUNAUSIGHM-DYVFJYSZSA-N 1 0 366.868 2.089 20 30 FEEDRO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@@H](C)C1CCN(CC(F)(F)F)CC1 ZINC000555475362 674363459 /nfs/dbraw/zinc/36/34/59/674363459.db2.gz NDXXKCPVWNSWDB-KBPBESRZSA-N 1 0 362.440 2.247 20 30 FEEDRO CN(C[C@H](O)c1ccc(C#N)cc1)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000156372306 545622754 /nfs/dbraw/zinc/62/27/54/545622754.db2.gz WLDFNFNGGCAGQA-MOPGFXCFSA-N 1 0 353.397 2.468 20 30 FEEDRO Cc1cccc(S(=O)(=O)NC2CCN(c3ccccn3)CC2)c1C#N ZINC000156495284 545631313 /nfs/dbraw/zinc/63/13/13/545631313.db2.gz ZHDOKOHLUPFPDL-UHFFFAOYSA-N 1 0 356.451 2.209 20 30 FEEDRO C=C(C)CNC(=O)N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000156518438 545632332 /nfs/dbraw/zinc/63/23/32/545632332.db2.gz DNSVXFGOYDAXRE-SFHVURJKSA-N 1 0 357.502 2.201 20 30 FEEDRO CC(=O)N1CC[C@@H](C[N@@H+](C)[C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1 ZINC000156708770 545651518 /nfs/dbraw/zinc/65/15/18/545651518.db2.gz BFGJKFOJBHHBGL-WXNRQPJFSA-N 1 0 362.518 2.106 20 30 FEEDRO CCC(C)(C)[C@H]1CCC[N@@H+]1CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 ZINC000156922554 545676837 /nfs/dbraw/zinc/67/68/37/545676837.db2.gz LEJOMENLCKOJDL-QGZVFWFLSA-N 1 0 373.501 2.404 20 30 FEEDRO CC(C)Oc1ccc(NC(=O)N2CC[NH+](CC(C)(C)O)CC2)cc1C#N ZINC000157700918 545772241 /nfs/dbraw/zinc/77/22/41/545772241.db2.gz JOLGZWFTKYCGTB-UHFFFAOYSA-N 1 0 360.458 2.266 20 30 FEEDRO CC(C)[NH+]1CCC(N(C)S(=O)(=O)Cc2ccc(C#N)cc2F)CC1 ZINC000478145005 561160877 /nfs/dbraw/zinc/16/08/77/561160877.db2.gz FSIYMUNNVSXIJA-UHFFFAOYSA-N 1 0 353.463 2.332 20 30 FEEDRO C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCCN1CC[NH+](C)CC1 ZINC000159073582 545920012 /nfs/dbraw/zinc/92/00/12/545920012.db2.gz XFLTUZXJYYDHFO-UHFFFAOYSA-N 1 0 371.403 2.247 20 30 FEEDRO CC[NH+]=C(NC[C@H]1CCOC1)N(C)Cc1cc(Br)cn1C ZINC000159472374 545956664 /nfs/dbraw/zinc/95/66/64/545956664.db2.gz KAXWGWRWMBXXHM-GFCCVEGCSA-N 1 0 357.296 2.221 20 30 FEEDRO C#Cc1cccc(NC(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c1 ZINC000160269010 546025013 /nfs/dbraw/zinc/02/50/13/546025013.db2.gz FJYQQYXULHQYIN-YOFSQIOKSA-N 1 0 352.482 2.443 20 30 FEEDRO CC[NH+]1CCN([C@H]2CCN(C(=O)N[C@@H](CCC#N)c3ccccc3)C2)CC1 ZINC000160665362 546061858 /nfs/dbraw/zinc/06/18/58/546061858.db2.gz PNUXIKAWOSIEOR-PMACEKPBSA-N 1 0 369.513 2.453 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccnn2Cc2ccccn2)CC1 ZINC000162577604 546139834 /nfs/dbraw/zinc/13/98/34/546139834.db2.gz SUVGJDQGYXTLIH-UHFFFAOYSA-N 1 0 354.458 2.488 20 30 FEEDRO CC[N@@H+]1CCCN(C(=O)C(=O)Nc2ccccc2SCCC#N)CC1 ZINC000163170372 546143712 /nfs/dbraw/zinc/14/37/12/546143712.db2.gz OTJLRKQFRUTSHX-UHFFFAOYSA-N 1 0 360.483 2.185 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCCc3ccc(F)cc32)CC1 ZINC000171621171 546216505 /nfs/dbraw/zinc/21/65/05/546216505.db2.gz GVPODFXTEKUMMP-UHFFFAOYSA-N 1 0 359.445 2.262 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)CSc2nncn2-c2ccc(C)cc2)CC1 ZINC000171719948 546220194 /nfs/dbraw/zinc/22/01/94/546220194.db2.gz CWFOCTRMMCSCQT-UHFFFAOYSA-N 1 0 371.510 2.434 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccccc2CN2CCOCC2)CC1 ZINC000171739770 546223241 /nfs/dbraw/zinc/22/32/41/546223241.db2.gz WAVJPERLKUFPLM-UHFFFAOYSA-N 1 0 358.486 2.291 20 30 FEEDRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)NCC(C)(C)C#N)CC1 ZINC000479319883 561187285 /nfs/dbraw/zinc/18/72/85/561187285.db2.gz USAMZUIJHVGKRG-UHFFFAOYSA-N 1 0 357.502 2.173 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N[C@H]2CCCN(c3ccccc3)C2=O)CC1 ZINC000172075714 546235473 /nfs/dbraw/zinc/23/54/73/546235473.db2.gz JCQGYJRWQXFQOI-SFHVURJKSA-N 1 0 356.470 2.132 20 30 FEEDRO C[NH+]=C(NCc1c(C)noc1C)NCc1ccc(N2CCCC2=O)cc1 ZINC000172148420 546237605 /nfs/dbraw/zinc/23/76/05/546237605.db2.gz GZDCNUWBJYQICJ-UHFFFAOYSA-N 1 0 355.442 2.283 20 30 FEEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000172291943 546244896 /nfs/dbraw/zinc/24/48/96/546244896.db2.gz MMJHWEHHWCTVLI-GJZGRUSLSA-N 1 0 374.510 2.287 20 30 FEEDRO C=C(C)COc1cccc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)c1 ZINC000173221546 546275820 /nfs/dbraw/zinc/27/58/20/546275820.db2.gz GXEKQFYNAVBHEA-QGZVFWFLSA-N 1 0 355.438 2.053 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CCCN(C(=O)c3ccncc3)C2)CC1 ZINC000173580523 546283723 /nfs/dbraw/zinc/28/37/23/546283723.db2.gz GFPRSPPPBIACGX-GOSISDBHSA-N 1 0 370.497 2.091 20 30 FEEDRO Cc1cc(NC(=O)CO[NH+]=C(N)c2ccc(N3CCCCC3)cc2)no1 ZINC000174129278 546291437 /nfs/dbraw/zinc/29/14/37/546291437.db2.gz ANNFQUOSSYBXEN-UHFFFAOYSA-N 1 0 357.414 2.249 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc3c(c2)N(C)C(=O)CO3)CC1 ZINC000174581689 546299019 /nfs/dbraw/zinc/29/90/19/546299019.db2.gz RTHQOUSTPBMEPV-UHFFFAOYSA-N 1 0 358.442 2.204 20 30 FEEDRO CC(C)[C@@H](CNC(=O)c1cccc(SCC#N)c1)[NH+]1CCN(C)CC1 ZINC000175999305 546387851 /nfs/dbraw/zinc/38/78/51/546387851.db2.gz SZIYGYJKWYSRFK-GOSISDBHSA-N 1 0 360.527 2.304 20 30 FEEDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)C1 ZINC000176591007 546465577 /nfs/dbraw/zinc/46/55/77/546465577.db2.gz RMUYAMASGBLLGW-VAMGGRTRSA-N 1 0 369.513 2.279 20 30 FEEDRO COc1cccc(CN(CC[NH+](C)C)S(=O)(=O)CCCCC#N)c1 ZINC000480749456 561215905 /nfs/dbraw/zinc/21/59/05/561215905.db2.gz KOUHRQYUSCGIHO-UHFFFAOYSA-N 1 0 353.488 2.082 20 30 FEEDRO N#Cc1ccc(CS(=O)(=O)N2CCC[C@H]2C[NH+]2CCCCC2)c(F)c1 ZINC000481029140 561223269 /nfs/dbraw/zinc/22/32/69/561223269.db2.gz ZLLNVPPEGFZOOU-KRWDZBQOSA-N 1 0 365.474 2.477 20 30 FEEDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)C(=O)Nc2cccc(OCCCC#N)c2)C1 ZINC000178000836 546721223 /nfs/dbraw/zinc/72/12/23/546721223.db2.gz FNFLQEHUFWVABF-RDJZCZTQSA-N 1 0 372.469 2.297 20 30 FEEDRO C#CCOc1ccc([C@@H](C)[NH2+]CC2CCN(S(C)(=O)=O)CC2)cc1 ZINC000178262728 546765571 /nfs/dbraw/zinc/76/55/71/546765571.db2.gz FQXYFURHHAWBDH-OAHLLOKOSA-N 1 0 350.484 2.021 20 30 FEEDRO C=CCC[C@H]([NH2+]CC(=O)N(CC)[C@H]1CCS(=O)(=O)C1)c1ccccc1 ZINC000180047477 547043174 /nfs/dbraw/zinc/04/31/74/547043174.db2.gz WYNIVMIAHHNMDD-ROUUACIJSA-N 1 0 364.511 2.319 20 30 FEEDRO Cn1cc(C[NH2+]CCCOC[C@H]2CCOC2)c(-c2ccc(C#N)cc2)n1 ZINC000180237353 547070936 /nfs/dbraw/zinc/07/09/36/547070936.db2.gz UJQRXYLXXIYRFT-QGZVFWFLSA-N 1 0 354.454 2.492 20 30 FEEDRO C=CCNC(=O)CNC(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000180395709 547100025 /nfs/dbraw/zinc/10/00/25/547100025.db2.gz QWDSHLPLPCBISQ-MRXNPFEDSA-N 1 0 358.486 2.162 20 30 FEEDRO C[C@@H](NC(=O)C(=O)Nc1ccc(F)c(C#N)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000180414750 547105831 /nfs/dbraw/zinc/10/58/31/547105831.db2.gz UUMMTTZARKIJRD-ZIAGYGMSSA-N 1 0 372.444 2.405 20 30 FEEDRO C=CCC[C@H]([NH2+]CC(=O)N1CCN(c2cnccn2)CC1)c1ccccc1 ZINC000180439817 547108381 /nfs/dbraw/zinc/10/83/81/547108381.db2.gz NBIIAZMTMUAGBV-IBGZPJMESA-N 1 0 365.481 2.422 20 30 FEEDRO C[C@H](C[N@H+](C)Cc1ccccc1)NS(=O)(=O)Cc1cccc(C#N)c1 ZINC000180826823 547187852 /nfs/dbraw/zinc/18/78/52/547187852.db2.gz HCXVOOQZEFWCLX-MRXNPFEDSA-N 1 0 357.479 2.498 20 30 FEEDRO C=CCCC[C@@H](C)NC(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000180944120 547216227 /nfs/dbraw/zinc/21/62/27/547216227.db2.gz JVZXFAMRAVPVSO-QGZVFWFLSA-N 1 0 372.513 2.234 20 30 FEEDRO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000483173762 561269568 /nfs/dbraw/zinc/26/95/68/561269568.db2.gz IAQCMQILZCYMKK-RXVVDRJESA-N 1 0 361.482 2.425 20 30 FEEDRO Cc1cc(C)cc(N(CCC#N)C(=O)CN(C)C[C@@H](O)C(F)(F)F)c1 ZINC000181277071 547284688 /nfs/dbraw/zinc/28/46/88/547284688.db2.gz PWNZIDHDTGXASP-OAHLLOKOSA-N 1 0 357.376 2.405 20 30 FEEDRO Cc1cc(C)cc(N(CCC#N)C(=O)CN(C)C[C@H](O)C(F)(F)F)c1 ZINC000181277055 547285140 /nfs/dbraw/zinc/28/51/40/547285140.db2.gz PWNZIDHDTGXASP-HNNXBMFYSA-N 1 0 357.376 2.405 20 30 FEEDRO COCc1noc([C@H](C)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000181503626 547324753 /nfs/dbraw/zinc/32/47/53/547324753.db2.gz UAQNDOOJVCCVBW-HNNXBMFYSA-N 1 0 355.442 2.357 20 30 FEEDRO C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+][C@@H](C)c1cccc(S(=O)(=O)NC)c1 ZINC000181938828 547409616 /nfs/dbraw/zinc/40/96/16/547409616.db2.gz MDPYIQRUIRGENF-LSDHHAIUSA-N 1 0 367.515 2.058 20 30 FEEDRO C[C@H]([NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1)c1cccc(C#N)c1 ZINC000182062125 547429846 /nfs/dbraw/zinc/42/98/46/547429846.db2.gz XUAVSVPUSXWGJY-SWLSCSKDSA-N 1 0 350.465 2.105 20 30 FEEDRO Cn1cc([C@@H]2NC(=[NH2+])Nc3nc4ccccc4n32)c(-c2ccc(C#N)cc2)n1 ZINC000182064358 547431478 /nfs/dbraw/zinc/43/14/78/547431478.db2.gz FFJZJVFESYDUPN-GOSISDBHSA-N 1 0 368.404 2.405 20 30 FEEDRO C=CCc1ccccc1OC[C@H](O)C[NH+]1CCC(CC(=O)N(C)C)CC1 ZINC000182210310 547453900 /nfs/dbraw/zinc/45/39/00/547453900.db2.gz WMJVMBFKTNTFSQ-LJQANCHMSA-N 1 0 360.498 2.345 20 30 FEEDRO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)NC[C@@H](C)C#N)CC1 ZINC000182630826 547524454 /nfs/dbraw/zinc/52/44/54/547524454.db2.gz YYMZOESKWSCVRB-LSDHHAIUSA-N 1 0 361.465 2.487 20 30 FEEDRO N#Cc1ccc(N2CCC[C@@H]([N@@H+]3CCC[C@H](Cn4cncn4)C3)C2=O)cc1 ZINC000182790740 547553133 /nfs/dbraw/zinc/55/31/33/547553133.db2.gz AHBQWPBKFBGUPB-PKOBYXMFSA-N 1 0 364.453 2.057 20 30 FEEDRO N#Cc1ccc(CCC(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)cc1 ZINC000183414551 547654531 /nfs/dbraw/zinc/65/45/31/547654531.db2.gz UMWHZZRWJKHTIB-NRFANRHFSA-N 1 0 363.461 2.374 20 30 FEEDRO CC[N@H+](CCO)CCNC(=O)c1ccc(OCc2ccccc2C#N)cc1 ZINC000183947582 547743511 /nfs/dbraw/zinc/74/35/11/547743511.db2.gz OAABVVJEPXJRLK-UHFFFAOYSA-N 1 0 367.449 2.181 20 30 FEEDRO COC(=O)c1coc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1 ZINC000184041720 547760066 /nfs/dbraw/zinc/76/00/66/547760066.db2.gz RGZZPMXURPHADA-UHFFFAOYSA-N 1 0 355.394 2.142 20 30 FEEDRO C=CCOc1cccc(C[NH+]2CCC(n3cc(C(=O)OC)nn3)CC2)c1 ZINC000184759993 547875651 /nfs/dbraw/zinc/87/56/51/547875651.db2.gz UZPLMFOIKMBSIB-UHFFFAOYSA-N 1 0 356.426 2.467 20 30 FEEDRO C[NH+](C)CC1(CNC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)CCCC1 ZINC000185081435 547928853 /nfs/dbraw/zinc/92/88/53/547928853.db2.gz FRAYRNQPLQUISU-UHFFFAOYSA-N 1 0 366.469 2.178 20 30 FEEDRO COc1cc(C#N)ccc1S(=O)(=O)NCc1ccccc1C[NH+](C)C ZINC000185410174 547980713 /nfs/dbraw/zinc/98/07/13/547980713.db2.gz PNSAWSKIHIWTIY-UHFFFAOYSA-N 1 0 359.451 2.107 20 30 FEEDRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000186037491 548076559 /nfs/dbraw/zinc/07/65/59/548076559.db2.gz RVVJYCDYOAKACX-HNNXBMFYSA-N 1 0 360.506 2.262 20 30 FEEDRO N#CCC(=O)NC1CC[NH+](CCOc2ccc(Br)cc2)CC1 ZINC000186722970 548180767 /nfs/dbraw/zinc/18/07/67/548180767.db2.gz OKPOMNROKPKETG-UHFFFAOYSA-N 1 0 366.259 2.322 20 30 FEEDRO CCCNC(=O)C[C@H](C(N)=O)N(CC#Cc1cccc(Cl)c1)CCC ZINC000186882802 548211792 /nfs/dbraw/zinc/21/17/92/548211792.db2.gz HSNXUWWOXXPZFX-QGZVFWFLSA-N 1 0 363.889 2.174 20 30 FEEDRO N#Cc1ccc(C2(C(=O)N3CC[NH+](CC4CCOCC4)CC3)CC2)cc1 ZINC000187124785 548252313 /nfs/dbraw/zinc/25/23/13/548252313.db2.gz QKAWRSBINIPCQJ-UHFFFAOYSA-N 1 0 353.466 2.161 20 30 FEEDRO C#CCOc1ccccc1NC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000188053763 548270058 /nfs/dbraw/zinc/27/00/58/548270058.db2.gz ZOXBRBFDTVBVDV-MRXNPFEDSA-N 1 0 357.454 2.321 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)NCC2CCN(CC(F)(F)F)CC2)CC1 ZINC000188570684 548282349 /nfs/dbraw/zinc/28/23/49/548282349.db2.gz KXGYMBYFTZVVAY-UHFFFAOYSA-N 1 0 362.440 2.210 20 30 FEEDRO CCCN1CCCN([C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)CC1=O ZINC000189374595 548302607 /nfs/dbraw/zinc/30/26/07/548302607.db2.gz YLZNYPZZFGNFIC-GNZRSQJKSA-N 1 0 362.518 2.250 20 30 FEEDRO C=C(C)CS(=O)(=O)NCCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000189538049 548304560 /nfs/dbraw/zinc/30/45/60/548304560.db2.gz MPRZJEWIQDMWPZ-UHFFFAOYSA-N 1 0 365.543 2.080 20 30 FEEDRO CCc1nc(C2CCN([C@H](C)C(=O)NC3(C#N)CCCCC3)CC2)n[nH]1 ZINC000190692304 548332390 /nfs/dbraw/zinc/33/23/90/548332390.db2.gz WVZUTLIJQNGCDJ-CQSZACIVSA-N 1 0 358.490 2.278 20 30 FEEDRO C#CCOc1ccc(C[NH2+][C@H]2CCCN(c3ccnn3CC)C2=O)cc1 ZINC000191639732 548348157 /nfs/dbraw/zinc/34/81/57/548348157.db2.gz VVVMVERQCLFOBW-SFHVURJKSA-N 1 0 352.438 2.200 20 30 FEEDRO COc1cccc(C[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1O ZINC000192242704 548361740 /nfs/dbraw/zinc/36/17/40/548361740.db2.gz OCVQKDDIQWSECI-QGZVFWFLSA-N 1 0 351.406 2.163 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)CC1 ZINC000192893824 548375018 /nfs/dbraw/zinc/37/50/18/548375018.db2.gz OEMNCJXHDRJCPX-UHFFFAOYSA-N 1 0 371.485 2.210 20 30 FEEDRO Cc1cc(N(CCC#N)C(=O)CN2C[C@@H]3C[N@H+](C)C[C@@H]3C2)ccc1Cl ZINC000193601556 548391585 /nfs/dbraw/zinc/39/15/85/548391585.db2.gz ZZEUPPQDYWLBKR-IYBDPMFKSA-N 1 0 360.889 2.389 20 30 FEEDRO C[C@H]1CCNC(=O)[C@H]1[NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000193630456 548392078 /nfs/dbraw/zinc/39/20/78/548392078.db2.gz DRTNHWPZSMSBCX-SJCJKPOMSA-N 1 0 374.510 2.331 20 30 FEEDRO C=CCSCCNC(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000194565398 548499824 /nfs/dbraw/zinc/49/98/24/548499824.db2.gz RVLPAKWBJSWNST-UHFFFAOYSA-N 1 0 362.543 2.023 20 30 FEEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCCCS(C)(=O)=O ZINC000487973076 561380412 /nfs/dbraw/zinc/38/04/12/561380412.db2.gz FOCLCGWATOJNDH-UHFFFAOYSA-N 1 0 372.560 2.019 20 30 FEEDRO N#Cc1ccc(N2CCC[C@H]([N@@H+]3CCC[C@@H](CCC(N)=O)C3)C2=O)cc1 ZINC000245516026 548936898 /nfs/dbraw/zinc/93/68/98/548936898.db2.gz FKISOTVOHCMGHI-WMZOPIPTSA-N 1 0 354.454 2.031 20 30 FEEDRO CN(CCC#N)c1ccc(C[N@@H+]2CCCC[C@H]2C(=O)N2CCOCC2)cc1 ZINC000245752138 548988610 /nfs/dbraw/zinc/98/86/10/548988610.db2.gz NZDWENVUNVHBRD-FQEVSTJZSA-N 1 0 370.497 2.250 20 30 FEEDRO C=CCCC[C@H](C)NC(=O)C(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000488209898 561386094 /nfs/dbraw/zinc/38/60/94/561386094.db2.gz OJFBSZBJYWGDQT-LNLFQRSKSA-N 1 0 357.498 2.484 20 30 FEEDRO C[N@@H+]1CCC[C@@H]2CN(S(=O)(=O)c3cccc(Cl)c3C#N)CC[C@H]21 ZINC000246218078 549082051 /nfs/dbraw/zinc/08/20/51/549082051.db2.gz UFUMQZOVZUFPNR-IUODEOHRSA-N 1 0 353.875 2.316 20 30 FEEDRO CNC(=O)[C@@H](C)C[N@H+](C)[C@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000246261329 549091643 /nfs/dbraw/zinc/09/16/43/549091643.db2.gz UTRGTCWZWZNBHQ-DLBZAZTESA-N 1 0 358.486 2.253 20 30 FEEDRO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000246950098 549249493 /nfs/dbraw/zinc/24/94/93/549249493.db2.gz FNMGIMPKNIUMIU-IAGOWNOFSA-N 1 0 353.470 2.498 20 30 FEEDRO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)N2CCN(c3cccc(F)c3C#N)CC2)C1 ZINC000247368023 549324437 /nfs/dbraw/zinc/32/44/37/549324437.db2.gz OYUGQTIYALVJKN-CRAIPNDOSA-N 1 0 373.476 2.258 20 30 FEEDRO C=C[C@H]1CCCC[N@H+]1CC(=O)N1CCN(Cc2ccc(OC)cc2)CC1 ZINC000489406149 561410221 /nfs/dbraw/zinc/41/02/21/561410221.db2.gz RUKGHCZBONLVRP-IBGZPJMESA-N 1 0 357.498 2.380 20 30 FEEDRO C=C[C@H]1CCCC[N@@H+]1CC(=O)NCc1ccccc1CN1CCCC1=O ZINC000489441233 561411246 /nfs/dbraw/zinc/41/12/46/561411246.db2.gz QPHKOMDRBKPBKO-IBGZPJMESA-N 1 0 355.482 2.466 20 30 FEEDRO Cc1cc(F)ccc1[C@@H]1C(=O)NCCN1C[C@@H](O)c1ccc(C#N)cc1 ZINC000248636040 549473132 /nfs/dbraw/zinc/47/31/32/549473132.db2.gz UNCNFDIAVYWZTM-RTBURBONSA-N 1 0 353.397 2.212 20 30 FEEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)[C@@H](C)C1 ZINC000248677456 549482766 /nfs/dbraw/zinc/48/27/66/549482766.db2.gz KTQBOJXSZMRTIA-GOEBONIOSA-N 1 0 373.501 2.242 20 30 FEEDRO C=CCCCS(=O)(=O)N(C)C[C@@H]1CCC[N@@H+](CC)[C@H]1c1cnn(C)c1 ZINC000489834809 561420025 /nfs/dbraw/zinc/42/00/25/561420025.db2.gz QUUXHHNAZHGPNH-FUHWJXTLSA-N 1 0 368.547 2.421 20 30 FEEDRO CCN(CC[NH+]1CCCCCC1)S(=O)(=O)c1cnc(C)c(C#N)c1 ZINC000489868427 561420900 /nfs/dbraw/zinc/42/09/00/561420900.db2.gz ZKDSQCNQPNMJNF-UHFFFAOYSA-N 1 0 350.488 2.148 20 30 FEEDRO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC[C@@H](Cc2nccn2C)C1 ZINC000252656446 549676060 /nfs/dbraw/zinc/67/60/60/549676060.db2.gz GKKIFKIAGQWFQX-SJORKVTESA-N 1 0 357.502 2.406 20 30 FEEDRO C[NH+]=C(NCc1ccc(C(=O)N(C)C)cc1)N[C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000261620299 549735866 /nfs/dbraw/zinc/73/58/66/549735866.db2.gz HOTPLGTZCXXMKL-KZNAEPCWSA-N 1 0 370.497 2.011 20 30 FEEDRO C[NH+]=C(NCc1nnc2n1CCCCC2)Nc1ccc(OC)c(OC)c1 ZINC000261820023 549758769 /nfs/dbraw/zinc/75/87/69/549758769.db2.gz UKDKFKKPEFSOSO-UHFFFAOYSA-N 1 0 358.446 2.209 20 30 FEEDRO Cc1nnc(CNC(N[C@@H](C)c2ccccc2)=[NH+]C2CCOCC2)n1C ZINC000261992252 549777776 /nfs/dbraw/zinc/77/77/76/549777776.db2.gz ROAYAHYLTMQESG-AWEZNQCLSA-N 1 0 356.474 2.099 20 30 FEEDRO C[C@H](NC(NCC(=O)N(C)C)=[NH+][C@H]1CCO[C@H](C)C1)c1cccs1 ZINC000262287779 549807334 /nfs/dbraw/zinc/80/73/34/549807334.db2.gz KOAXHCMHHIWEBK-RDBSUJKOSA-N 1 0 352.504 2.000 20 30 FEEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)C[C@H]1COCC[NH2+]1 ZINC000262304024 549808423 /nfs/dbraw/zinc/80/84/23/549808423.db2.gz BCZKNDURYGKBGS-AWEZNQCLSA-N 1 0 371.250 2.481 20 30 FEEDRO C[C@H](NC(NCC(=O)N(C)C)=[NH+][C@@H]1CCOC2(CCC2)C1)c1ccccc1 ZINC000262312137 549809092 /nfs/dbraw/zinc/80/90/92/549809092.db2.gz PXNFQNDJWXYNER-FUHWJXTLSA-N 1 0 372.513 2.473 20 30 FEEDRO C[NH+]=C(NCc1nnc2n1CCCC2)N1CC[C@H](Cc2ccccc2)C1 ZINC000262432872 549819590 /nfs/dbraw/zinc/81/95/90/549819590.db2.gz FQRJXJWGLPCJBD-QGZVFWFLSA-N 1 0 352.486 2.254 20 30 FEEDRO CC[NH+]=C(NCc1cccc(-n2cncn2)c1)N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000262747718 549845541 /nfs/dbraw/zinc/84/55/41/549845541.db2.gz AWOUDWOWQWGNHQ-RCCFBDPRSA-N 1 0 368.485 2.136 20 30 FEEDRO CC[NH+]=C(NCc1cccc(-n2cncn2)c1)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000262747707 549845699 /nfs/dbraw/zinc/84/56/99/549845699.db2.gz AWOUDWOWQWGNHQ-KSZLIROESA-N 1 0 368.485 2.136 20 30 FEEDRO C[NH+]=C(NCc1cnc(C)s1)N[C@@H]1CCN(c2cccc(OC)c2)C1 ZINC000262754755 549845914 /nfs/dbraw/zinc/84/59/14/549845914.db2.gz HHPVBSISVRMRCH-CQSZACIVSA-N 1 0 359.499 2.404 20 30 FEEDRO C=CCNC(=O)Nc1ccc(NC(=O)[C@@]2([NH3+])C[C@H](OCC)C2(C)C)cc1 ZINC000262795204 549850848 /nfs/dbraw/zinc/85/08/48/549850848.db2.gz PGJAYZNFTFLPLT-KXBFYZLASA-N 1 0 360.458 2.465 20 30 FEEDRO C[NH+]=C(NCCNC(=O)c1ccc(OC)cc1)N1CCc2ccccc21 ZINC000263262421 549890383 /nfs/dbraw/zinc/89/03/83/549890383.db2.gz SZUCFANNFJEUJC-UHFFFAOYSA-N 1 0 352.438 2.063 20 30 FEEDRO COc1ccc([C@H](CNC(=O)CN(C)C[C@H](C)C#N)[NH+]2CCCCC2)cc1 ZINC000263726602 549926934 /nfs/dbraw/zinc/92/69/34/549926934.db2.gz RSVREDIKHGABIC-XLIONFOSSA-N 1 0 372.513 2.430 20 30 FEEDRO COc1ccc([C@H](CNC(=O)CN(C)C[C@@H](C)C#N)[NH+]2CCCCC2)cc1 ZINC000263726600 549927188 /nfs/dbraw/zinc/92/71/88/549927188.db2.gz RSVREDIKHGABIC-PXNSSMCTSA-N 1 0 372.513 2.430 20 30 FEEDRO C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCC(c2nc(-c3ccccc3)n[nH]2)CC1 ZINC000263893845 549951974 /nfs/dbraw/zinc/95/19/74/549951974.db2.gz VMUPPIJYQUPPMQ-HNNXBMFYSA-N 1 0 366.469 2.412 20 30 FEEDRO C[NH+]=C(NCc1ccco1)NC[C@@H](c1ccc(F)cc1)N1CCOCC1 ZINC000264056012 549973614 /nfs/dbraw/zinc/97/36/14/549973614.db2.gz OBKCGQBMAGEWGK-SFHVURJKSA-N 1 0 360.433 2.157 20 30 FEEDRO C[NH+]=C(NCc1ccco1)NC[C@H](c1ccc(F)cc1)N1CCOCC1 ZINC000264056010 549973649 /nfs/dbraw/zinc/97/36/49/549973649.db2.gz OBKCGQBMAGEWGK-GOSISDBHSA-N 1 0 360.433 2.157 20 30 FEEDRO COc1ccc(CNC(=[NH2+])NC[C@H](c2ccsc2)N(C)C)cc1OC ZINC000264099828 549978939 /nfs/dbraw/zinc/97/89/39/549978939.db2.gz NSKRTMBFWQSZEQ-OAHLLOKOSA-N 1 0 362.499 2.473 20 30 FEEDRO [NH2+]=C(NCc1ccccc1C(F)(F)F)N1CCN(c2ncccn2)CC1 ZINC000264116726 549980861 /nfs/dbraw/zinc/98/08/61/549980861.db2.gz PZLMACNEZWRJBM-UHFFFAOYSA-N 1 0 364.375 2.132 20 30 FEEDRO COc1ccc(CCNC(=[NH2+])NCCc2cn3ccccc3n2)cc1OC ZINC000264150867 549985795 /nfs/dbraw/zinc/98/57/95/549985795.db2.gz ZBLQJSAJMHNYCM-UHFFFAOYSA-N 1 0 367.453 2.041 20 30 FEEDRO COc1ccc(NC(=[NH2+])NCCN(C)C(=O)OC(C)(C)C)cc1OC ZINC000264164768 549986573 /nfs/dbraw/zinc/98/65/73/549986573.db2.gz BZIORPJFVWCRCI-UHFFFAOYSA-N 1 0 352.435 2.297 20 30 FEEDRO C=CCc1ccc(OC[C@@H](O)C[N@H+](C)CCc2noc(C)n2)c(OC)c1 ZINC000264229989 549993324 /nfs/dbraw/zinc/99/33/24/549993324.db2.gz RIGNLLPFIBUDKK-INIZCTEOSA-N 1 0 361.442 2.029 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@H]2CC(=O)N(c3ccccc3F)C2)CC1 ZINC000264309548 549993965 /nfs/dbraw/zinc/99/39/65/549993965.db2.gz AIUWGECXTIMBHE-HNNXBMFYSA-N 1 0 359.445 2.335 20 30 FEEDRO C[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000264914568 550003583 /nfs/dbraw/zinc/00/35/83/550003583.db2.gz GFMSGXVBYDDPPW-NRFANRHFSA-N 1 0 368.481 2.031 20 30 FEEDRO N#C[C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)CCN1Cc1ccccc1 ZINC000265111852 550006207 /nfs/dbraw/zinc/00/62/07/550006207.db2.gz DWCCNMQCCJJRFQ-AQNXPRMDSA-N 1 0 367.497 2.033 20 30 FEEDRO C[C@@H]1[C@H](C)SCCN1CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000265534066 550011567 /nfs/dbraw/zinc/01/15/67/550011567.db2.gz QCNUYYNWKFWHJJ-MBNYWOFBSA-N 1 0 356.451 2.337 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)NC[C@@H](O)c2c(F)cccc2Cl)CC1 ZINC000265944121 550015484 /nfs/dbraw/zinc/01/54/84/550015484.db2.gz HUBLQEFJYUILBD-OAHLLOKOSA-N 1 0 355.841 2.462 20 30 FEEDRO COc1ccc(NC(=O)CON=C(N)c2ccc(C[NH+](C)C)cc2)cc1 ZINC000267004365 550026848 /nfs/dbraw/zinc/02/68/48/550026848.db2.gz IXMVBHPDBHUBGS-UHFFFAOYSA-N 1 0 356.426 2.032 20 30 FEEDRO CN([C@@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000268538312 550084044 /nfs/dbraw/zinc/08/40/44/550084044.db2.gz JZPQVJVSGSBGPL-GOSISDBHSA-N 1 0 355.463 2.453 20 30 FEEDRO O=C(NCC#Cc1ccccc1)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000268948787 550135728 /nfs/dbraw/zinc/13/57/28/550135728.db2.gz CFDDVZWELMPSMW-WOJBJXKFSA-N 1 0 355.482 2.105 20 30 FEEDRO C=CCNc1ncc(C(=O)NCC2([NH+]3CCCC3)CCOCC2)s1 ZINC000269506729 550202606 /nfs/dbraw/zinc/20/26/06/550202606.db2.gz GZICJIBZLBDRMG-UHFFFAOYSA-N 1 0 350.488 2.116 20 30 FEEDRO N#Cc1cccnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000269659811 550214693 /nfs/dbraw/zinc/21/46/93/550214693.db2.gz XGNHURSFTFBAAU-SFHVURJKSA-N 1 0 353.470 2.009 20 30 FEEDRO N#Cc1ccc(CNC(=O)CN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000269699957 550218315 /nfs/dbraw/zinc/21/83/15/550218315.db2.gz YCEJWVUBSYBOTQ-QUCCMNQESA-N 1 0 352.482 2.123 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCCC[C@H]2CCC(=O)NC)CC1 ZINC000493787410 561458216 /nfs/dbraw/zinc/45/82/16/561458216.db2.gz MGUYDTLJOOPXSV-KRWDZBQOSA-N 1 0 350.507 2.117 20 30 FEEDRO CC(C)[NH+]1CCN(C2CCN(C(=O)NCc3ccc(C#N)cc3)CC2)CC1 ZINC000270675607 550295688 /nfs/dbraw/zinc/29/56/88/550295688.db2.gz XXFFXKZPOZPHBW-UHFFFAOYSA-N 1 0 369.513 2.258 20 30 FEEDRO N#CCCn1ccc(NC(=O)c2ccc(C[NH+]3CCC(CO)CC3)cc2)n1 ZINC000271067095 550337039 /nfs/dbraw/zinc/33/70/39/550337039.db2.gz XIWHPUBPDSUECU-UHFFFAOYSA-N 1 0 367.453 2.253 20 30 FEEDRO C=CCC(CC=C)C(=O)N(CC[NH+](CC)CC)[C@H]1CCS(=O)(=O)C1 ZINC000271073457 550337587 /nfs/dbraw/zinc/33/75/87/550337587.db2.gz OKBZEGODTCSEQN-KRWDZBQOSA-N 1 0 356.532 2.112 20 30 FEEDRO CC[NH+]1CCN(CCCNC(=O)[C@H](Oc2ccccc2C#N)C(C)C)CC1 ZINC000494151089 561463506 /nfs/dbraw/zinc/46/35/06/561463506.db2.gz XWSZYMKCCBLABK-HXUWFJFHSA-N 1 0 372.513 2.105 20 30 FEEDRO C[C@H]1C[C@H](NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)CCO1 ZINC000271269485 550359670 /nfs/dbraw/zinc/35/96/70/550359670.db2.gz MEEZGBLPZKMGOF-QFBILLFUSA-N 1 0 356.470 2.343 20 30 FEEDRO COc1ccccc1[C@@H](C)[NH2+]CC(=O)N1CCN([C@H](C#N)C(C)C)CC1 ZINC000271622871 550390605 /nfs/dbraw/zinc/39/06/05/550390605.db2.gz FLGIXLOBWLIPII-SJLPKXTDSA-N 1 0 358.486 2.038 20 30 FEEDRO C=C(C)[C@H]1OCC[C@H]1C(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000494267856 561466012 /nfs/dbraw/zinc/46/60/12/561466012.db2.gz KANRYJWDSCTGRU-NHCUHLMSSA-N 1 0 371.525 2.292 20 30 FEEDRO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@@H](C)c1cc(OC)c(OC)c(OC)c1 ZINC000271826063 550404230 /nfs/dbraw/zinc/40/42/30/550404230.db2.gz WHVBLPXESIOMER-KGLIPLIRSA-N 1 0 363.458 2.371 20 30 FEEDRO C[C@H]([NH2+]CCCN1CCN(c2ncccn2)CC1)c1ccc(C#N)c(F)c1 ZINC000271908155 550410030 /nfs/dbraw/zinc/41/00/30/550410030.db2.gz CUFXYWRJZSNXRT-INIZCTEOSA-N 1 0 368.460 2.350 20 30 FEEDRO C=C(C)COc1cccc(NC(=O)C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)c1 ZINC000272361860 550441226 /nfs/dbraw/zinc/44/12/26/550441226.db2.gz SGZFUWCDVGSGKK-YJBOKZPZSA-N 1 0 357.454 2.133 20 30 FEEDRO C[C@H](NC(=O)CCCC(=O)Nc1ccccc1C#N)C1=CC[N@H+](C)CC1 ZINC000272757934 550469485 /nfs/dbraw/zinc/46/94/85/550469485.db2.gz FQAZPRMHFYHXFV-HNNXBMFYSA-N 1 0 354.454 2.434 20 30 FEEDRO C[C@H](NC(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1)C1=CC[N@H+](C)CC1 ZINC000272958257 550478304 /nfs/dbraw/zinc/47/83/04/550478304.db2.gz NGWHLHRQGUPDSU-FXAWDEMLSA-N 1 0 367.497 2.056 20 30 FEEDRO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@@H](CO)c1ccc(Br)cc1 ZINC000273097517 550484960 /nfs/dbraw/zinc/48/49/60/550484960.db2.gz LFHOHCVEXYQULE-DOMZBBRYSA-N 1 0 368.275 2.080 20 30 FEEDRO C=CC[C@@H](CO)NC(=O)Nc1ccc(OC)c(OCC[NH+](CC)CC)c1 ZINC000273302388 550493800 /nfs/dbraw/zinc/49/38/00/550493800.db2.gz BVINBJXLGFRCOZ-INIZCTEOSA-N 1 0 365.474 2.474 20 30 FEEDRO C#CCN(C(=O)N[C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)C1CC1 ZINC000274054305 550521221 /nfs/dbraw/zinc/52/12/21/550521221.db2.gz CNZKRVJCPQWMPB-HNNXBMFYSA-N 1 0 358.461 2.446 20 30 FEEDRO COC(=O)[C@H](c1cccc(C#N)c1)N1C[C@@H]([NH+]2CCCC2)[C@@H](SC)C1 ZINC000274138866 550524632 /nfs/dbraw/zinc/52/46/32/550524632.db2.gz WYKSTPROQVHJTC-SQNIBIBYSA-N 1 0 359.495 2.284 20 30 FEEDRO CCO[C@H]1C[C@@H](NC(=[NH2+])Nc2ccc(OC)c(OC)c2)C12CCOCC2 ZINC000274402765 550535983 /nfs/dbraw/zinc/53/59/83/550535983.db2.gz DYFSGVMYXSFJFD-SJORKVTESA-N 1 0 363.458 2.405 20 30 FEEDRO C=CCCCCNC(=O)C(=O)Nc1cccc(N2CC[NH+](CC)CC2)c1 ZINC000274493029 550540207 /nfs/dbraw/zinc/54/02/07/550540207.db2.gz HPDMEGAVVMLHSU-UHFFFAOYSA-N 1 0 358.486 2.240 20 30 FEEDRO C[N@H+](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)[C@H]1CC[C@H](O)CC1 ZINC000275870652 550574836 /nfs/dbraw/zinc/57/48/36/550574836.db2.gz NSPHNLFCYLHECG-QAQDUYKDSA-N 1 0 368.399 2.408 20 30 FEEDRO C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC000275895670 550575135 /nfs/dbraw/zinc/57/51/35/550575135.db2.gz QFNXLVFHIMNLJX-CABCVRRESA-N 1 0 372.469 2.105 20 30 FEEDRO C[NH+](C)CCN(CC1CCCCC1)S(=O)(=O)c1cccnc1C#N ZINC000276960953 550615941 /nfs/dbraw/zinc/61/59/41/550615941.db2.gz DHYZCPRQNTVJSB-UHFFFAOYSA-N 1 0 350.488 2.086 20 30 FEEDRO C[C@@H]1COCC[C@@H]1NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000277516766 550679854 /nfs/dbraw/zinc/67/98/54/550679854.db2.gz OXHLAQSWMUREMO-APWZRJJASA-N 1 0 356.470 2.201 20 30 FEEDRO C[C@@H]1C[N@H+](CCCNC(=O)C(C)(C)Oc2ccc(C#N)cc2)CCCO1 ZINC000277641611 550695540 /nfs/dbraw/zinc/69/55/40/550695540.db2.gz SAKGPHOFUSSQPR-MRXNPFEDSA-N 1 0 359.470 2.333 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)CC1 ZINC000277846731 550720856 /nfs/dbraw/zinc/72/08/56/550720856.db2.gz ZUIHOHSCIIEETE-UHFFFAOYSA-N 1 0 370.884 2.205 20 30 FEEDRO N#Cc1cccc(NC(=O)C2CCN(C(=O)[C@@H]3CCC[N@@H+]3C3CC3)CC2)c1 ZINC000278398547 550781310 /nfs/dbraw/zinc/78/13/10/550781310.db2.gz BIDSUHAPKZJYCF-IBGZPJMESA-N 1 0 366.465 2.362 20 30 FEEDRO N#C[C@@H]1CC[C@@H]([NH+]2CCC(NS(=O)(=O)c3ccc(F)cc3)CC2)C1 ZINC000278618872 550804927 /nfs/dbraw/zinc/80/49/27/550804927.db2.gz NEPTYODKYQASOJ-CZUORRHYSA-N 1 0 351.447 2.261 20 30 FEEDRO CC(C)N(CC[NH+](C)C)S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000278623283 550805284 /nfs/dbraw/zinc/80/52/84/550805284.db2.gz CGINLXLNPLUVRJ-UHFFFAOYSA-N 1 0 374.304 2.281 20 30 FEEDRO Cn1nccc1CN1C[C@@H](F)C[C@H]1C[N@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000279173035 550861644 /nfs/dbraw/zinc/86/16/44/550861644.db2.gz AIKLETLVMJPPPC-WMZOPIPTSA-N 1 0 359.424 2.475 20 30 FEEDRO N#CCCn1cc(CN2CC(=O)N[C@@H]3CCCC[C@@H]32)c(-c2ccncc2)n1 ZINC000279402118 550886090 /nfs/dbraw/zinc/88/60/90/550886090.db2.gz MOHYAFWOUPQTNT-MSOLQXFVSA-N 1 0 364.453 2.102 20 30 FEEDRO C#CCn1ccc(CN(CC)C(=O)N[C@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)n1 ZINC000279422970 550888804 /nfs/dbraw/zinc/88/88/04/550888804.db2.gz ISJQLLGPMMOJTB-OKZBNKHCSA-N 1 0 359.518 2.414 20 30 FEEDRO CCOCCOCC[N@H+](C)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000279485527 550895533 /nfs/dbraw/zinc/89/55/33/550895533.db2.gz XJKZKRRZPFGDOO-UHFFFAOYSA-N 1 0 357.458 2.344 20 30 FEEDRO Cn1nccc1CN1C[C@@H](F)C[C@H]1C[N@H+](C)Cc1ccc(C#N)cc1F ZINC000279769109 550927091 /nfs/dbraw/zinc/92/70/91/550927091.db2.gz SLYABZMIGOLOHP-WMZOPIPTSA-N 1 0 359.424 2.475 20 30 FEEDRO C=CC[C@@H](CO)[NH2+][C@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000280090090 550959730 /nfs/dbraw/zinc/95/97/30/550959730.db2.gz MJHLRXLOWODIKP-BDAKNGLRSA-N 1 0 353.271 2.228 20 30 FEEDRO CN(C(=O)C[N@H+](C)[C@@H](CC(N)=O)c1ccccc1)C1(C#N)CCCCC1 ZINC000280239444 550973896 /nfs/dbraw/zinc/97/38/96/550973896.db2.gz AVCAZOJVKPELBW-KRWDZBQOSA-N 1 0 356.470 2.220 20 30 FEEDRO N#CCCn1cc(C[NH2+]C[C@H](CO)[C@H]2CCOC2)c(-c2ccccc2)n1 ZINC000280389679 550988609 /nfs/dbraw/zinc/98/86/09/550988609.db2.gz WRNSJZHHHISPMY-PKOBYXMFSA-N 1 0 354.454 2.198 20 30 FEEDRO COc1ccccc1N1CC[C@@H]([NH2+]Cc2ccc(C#N)c(OC)c2)C1=O ZINC000281854073 551148663 /nfs/dbraw/zinc/14/86/63/551148663.db2.gz ZKRLPYKHHFOIIM-MRXNPFEDSA-N 1 0 351.406 2.471 20 30 FEEDRO Cc1nc(C#N)c(N2CCC(C(=O)NCC3CC[NH+](C4CC4)CC3)CC2)o1 ZINC000281869693 551151102 /nfs/dbraw/zinc/15/11/02/551151102.db2.gz OATZFQOAONSELA-UHFFFAOYSA-N 1 0 371.485 2.062 20 30 FEEDRO C=CCN1CC[C@@H]([NH+]2CCC(c3nc(-c4ccccc4)n[nH]3)CC2)C1=O ZINC000281898979 551154900 /nfs/dbraw/zinc/15/49/00/551154900.db2.gz FMDAERWPLMRSLS-QGZVFWFLSA-N 1 0 351.454 2.438 20 30 FEEDRO C[N@@H+]1CC[C@@H]2CCN(S(=O)(=O)c3ccc(C(F)(F)F)c(C#N)c3)[C@H]2C1 ZINC000282349310 551215106 /nfs/dbraw/zinc/21/51/06/551215106.db2.gz PEULDMKIRVZPTR-ABAIWWIYSA-N 1 0 373.400 2.292 20 30 FEEDRO N#CCOc1cccc(NC(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000282546888 551245203 /nfs/dbraw/zinc/24/52/03/551245203.db2.gz TUMFYKBFCLPNQO-MRXNPFEDSA-N 1 0 358.442 2.165 20 30 FEEDRO CC(C)[N@H+](C)Cc1ccccc1CNS(=O)(=O)N(C)[C@@H](C)CC#N ZINC000282978640 551292570 /nfs/dbraw/zinc/29/25/70/551292570.db2.gz LVSPWBVKGDBRSP-HNNXBMFYSA-N 1 0 352.504 2.095 20 30 FEEDRO C[C@@H](CC#N)N(C)S(=O)(=O)N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000283073486 551307560 /nfs/dbraw/zinc/30/75/60/551307560.db2.gz UYIGODBTOMOTSZ-WMZOPIPTSA-N 1 0 364.515 2.062 20 30 FEEDRO C=C(C)Cn1c(Cc2ccccn2)nnc1N1CC[NH+](CC2CC2)CC1 ZINC000283077779 551308027 /nfs/dbraw/zinc/30/80/27/551308027.db2.gz XXVNQPFXJXXQAE-UHFFFAOYSA-N 1 0 352.486 2.372 20 30 FEEDRO C#Cc1cc(F)c(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](CC)C[C@H]2C)c(F)c1 ZINC000283403972 551360740 /nfs/dbraw/zinc/36/07/40/551360740.db2.gz WRCMMEDYMMVUKJ-MLGOLLRUSA-N 1 0 363.408 2.073 20 30 FEEDRO C#Cc1cc(F)c(NC(=O)C(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)c(F)c1 ZINC000283421750 551363377 /nfs/dbraw/zinc/36/33/77/551363377.db2.gz XPVWWHGDJOUCAF-AWEZNQCLSA-N 1 0 363.408 2.217 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H](C)CCc2ccccc2)CC1 ZINC000283456595 551369164 /nfs/dbraw/zinc/36/91/64/551369164.db2.gz DKHRNJVFHFTDTD-QGZVFWFLSA-N 1 0 357.498 2.281 20 30 FEEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H]1CC[N@@H+](CCOC)C1 ZINC000497839604 561509690 /nfs/dbraw/zinc/50/96/90/561509690.db2.gz ITNJKSAIGFBXPJ-GOSISDBHSA-N 1 0 363.506 2.272 20 30 FEEDRO C=C(C)Cn1c(-c2cnn(C)c2)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC000283510269 551378975 /nfs/dbraw/zinc/37/89/75/551378975.db2.gz FGKFSPUVNVRGRO-INIZCTEOSA-N 1 0 357.506 2.423 20 30 FEEDRO C#CCN1CCN(c2nnc(-c3ccccc3)n2CCCOCC)CC1 ZINC000283720156 551415395 /nfs/dbraw/zinc/41/53/95/551415395.db2.gz XHTQOXJMFFVKAH-UHFFFAOYSA-N 1 0 353.470 2.127 20 30 FEEDRO N#Cc1ccc(C(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000498103322 561516114 /nfs/dbraw/zinc/51/61/14/561516114.db2.gz ZOFHALQGFNYAKQ-UHFFFAOYSA-N 1 0 362.477 2.496 20 30 FEEDRO CN(Cc1cccc(C#N)c1)C(=O)C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000284290786 551516154 /nfs/dbraw/zinc/51/61/54/551516154.db2.gz NWRMIMFDEGWVQH-UHFFFAOYSA-N 1 0 370.497 2.287 20 30 FEEDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C(=O)N(C)Cc2cccc(C#N)c2)C1 ZINC000284382052 551537378 /nfs/dbraw/zinc/53/73/78/551537378.db2.gz UXOSGICVYMQSIH-IAGOWNOFSA-N 1 0 370.497 2.001 20 30 FEEDRO CCCCNC(=S)C(C(=O)c1cnn(C)n1)[n+]1ccc(CCC)cc1 ZINC000284414212 551543879 /nfs/dbraw/zinc/54/38/79/551543879.db2.gz NVJFSLINPYMJOO-UHFFFAOYSA-O 1 0 360.507 2.384 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)Nc1cccc(Cl)n1)C(C)C ZINC000284880967 551657724 /nfs/dbraw/zinc/65/77/24/551657724.db2.gz VTMCTQRFPZMOEC-CQSZACIVSA-N 1 0 364.877 2.488 20 30 FEEDRO NC(=[NH+]OCC[C@@H](O)c1ccccc1)c1ccc(N2CCC(O)CC2)cc1 ZINC000285332892 551739866 /nfs/dbraw/zinc/73/98/66/551739866.db2.gz YGZZJBOJYICNML-HXUWFJFHSA-N 1 0 369.465 2.408 20 30 FEEDRO C[C@@H]([NH2+][C@@H]1CCCN(S(=O)(=O)C2CC2)C1)c1ccc(OCC#N)cc1 ZINC000285702944 551798214 /nfs/dbraw/zinc/79/82/14/551798214.db2.gz PAVCWIWCJADBME-GDBMZVCRSA-N 1 0 363.483 2.196 20 30 FEEDRO N#CC1(F)CCN(C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)CC1 ZINC000498896275 561537021 /nfs/dbraw/zinc/53/70/21/561537021.db2.gz IGQRKRGOXBIBTO-UHFFFAOYSA-N 1 0 366.481 2.306 20 30 FEEDRO N#CC1(F)CCN(C(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)CC1 ZINC000499114318 561543729 /nfs/dbraw/zinc/54/37/29/561543729.db2.gz XLFBHTNUCPVGSR-UHFFFAOYSA-N 1 0 374.460 2.181 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N(C)[C@H](C)c2sc(C)nc2C)CC1 ZINC000286338993 551876232 /nfs/dbraw/zinc/87/62/32/551876232.db2.gz AWQHSJVBLVGEOL-CYBMUJFWSA-N 1 0 364.515 2.046 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H](C)Cc2cccs2)CC1 ZINC000286391259 551882609 /nfs/dbraw/zinc/88/26/09/551882609.db2.gz DHUAZOJFGUNLNF-HNNXBMFYSA-N 1 0 363.527 2.200 20 30 FEEDRO C[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)CC1 ZINC000286505421 551894009 /nfs/dbraw/zinc/89/40/09/551894009.db2.gz AZIGDFAUNTUORO-DLBZAZTESA-N 1 0 358.461 2.466 20 30 FEEDRO C#CCCCC(=O)NCCN(CC[NH+]1CCCCC1)C(=O)CCCC#C ZINC000286672496 551912951 /nfs/dbraw/zinc/91/29/51/551912951.db2.gz ZAFOQZQTIJRQOM-UHFFFAOYSA-N 1 0 359.514 2.024 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H](C)Oc2ccccc2C)CC1 ZINC000286698561 551916243 /nfs/dbraw/zinc/91/62/43/551916243.db2.gz PURCAOOOFPHXIV-QGZVFWFLSA-N 1 0 373.497 2.035 20 30 FEEDRO C[C@@H](CC#N)N(C)C(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1c1cnn(C)c1 ZINC000286745067 551921204 /nfs/dbraw/zinc/92/12/04/551921204.db2.gz LDRRUJOJYHQCLC-DBVUQKKJSA-N 1 0 365.481 2.396 20 30 FEEDRO C=CCN(CCc1ccccc1)C(=O)C(=O)NC1CC[NH+](CC=C)CC1 ZINC000286834677 551931447 /nfs/dbraw/zinc/93/14/47/551931447.db2.gz XRVWBFXIDZLXHJ-UHFFFAOYSA-N 1 0 355.482 2.010 20 30 FEEDRO C=CCN(CCc1ccccc1)C(=O)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000287375675 551996345 /nfs/dbraw/zinc/99/63/45/551996345.db2.gz ZUSNSGVKYJIDSZ-OALUTQOASA-N 1 0 357.498 2.233 20 30 FEEDRO CC1(C)CN=C(N2CCN(c3cc(N)c([N+](=O)[O-])c(C#N)c3)CC2)S1 ZINC000287772296 552044525 /nfs/dbraw/zinc/04/45/25/552044525.db2.gz IBRLBBLOKPPWFM-UHFFFAOYSA-N 1 0 360.443 2.052 20 30 FEEDRO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1C[C@@H](O)Cc1cccc(Cl)c1 ZINC000287812629 552050012 /nfs/dbraw/zinc/05/00/12/552050012.db2.gz PHFKCAIBBXRNAB-PBHICJAKSA-N 1 0 371.872 2.116 20 30 FEEDRO Cc1ccc(C#N)cc1NC(=O)C(=O)N[C@H](C[NH+](C)C)c1ccc(F)cc1 ZINC000287887680 552059036 /nfs/dbraw/zinc/05/90/36/552059036.db2.gz OOZSFUNYHCYXLH-GOSISDBHSA-N 1 0 368.412 2.363 20 30 FEEDRO C#CC[C@H](Cc1ccccc1)NC(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000288272615 552123550 /nfs/dbraw/zinc/12/35/50/552123550.db2.gz UVKQGBLHELMTSM-OAQYLSRUSA-N 1 0 369.509 2.375 20 30 FEEDRO Cc1onc(CC(=O)N[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1C#N ZINC000500075729 561565351 /nfs/dbraw/zinc/56/53/51/561565351.db2.gz NVPBYRBLKPMPLI-PBHICJAKSA-N 1 0 352.438 2.424 20 30 FEEDRO C[C@H](CC#N)N(C)S(=O)(=O)NCc1ccc2c(c1)nc(C1CC1)n2C ZINC000289046330 552257767 /nfs/dbraw/zinc/25/77/67/552257767.db2.gz DBYQUJIXOBJPIU-GFCCVEGCSA-N 1 0 361.471 2.019 20 30 FEEDRO C=CCN(CC=C)C(=O)C(=O)N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000289189384 552279925 /nfs/dbraw/zinc/27/99/25/552279925.db2.gz QDTKDXQAPXAZTF-IEBWSBKVSA-N 1 0 355.482 2.214 20 30 FEEDRO C=CCCCCNC(=O)C(=O)N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000289244383 552288063 /nfs/dbraw/zinc/28/80/63/552288063.db2.gz VCXSMLKVYRUXTF-MJGOQNOKSA-N 1 0 357.498 2.486 20 30 FEEDRO Cn1cc(C[N@@H+]2CC[C@@H](N3CCN(C(=O)OC(C)(C)C)CC3)C2)cc1C#N ZINC000289249906 552289119 /nfs/dbraw/zinc/28/91/19/552289119.db2.gz FCAGKMHIGOTUOI-QGZVFWFLSA-N 1 0 373.501 2.024 20 30 FEEDRO C[C@H](c1nc(N)nc(Cl)n1)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000289399684 552314959 /nfs/dbraw/zinc/31/49/59/552314959.db2.gz RWXGRPMERBPRKR-CYBMUJFWSA-N 1 0 371.876 2.248 20 30 FEEDRO C#CCOc1ccc(C[NH2+]C[C@H](CO)Cc2ccc(OC)c(O)c2)cc1 ZINC000289504551 552331954 /nfs/dbraw/zinc/33/19/54/552331954.db2.gz TZCUVPHKDNXJHQ-GOSISDBHSA-N 1 0 355.434 2.354 20 30 FEEDRO CN(C)S(=O)(=O)CC[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000289571016 552342699 /nfs/dbraw/zinc/34/26/99/552342699.db2.gz LTYDMZZNODKRQR-UHFFFAOYSA-N 1 0 373.478 2.118 20 30 FEEDRO O=C(C[NH2+][C@@H](CO)C1CCCC1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000289718538 552367555 /nfs/dbraw/zinc/36/75/55/552367555.db2.gz ZBBDTOPGVSZLFT-KRWDZBQOSA-N 1 0 368.399 2.314 20 30 FEEDRO CC[NH+](CC)CCN(Cc1ccccc1)S(=O)(=O)c1cncc(C#N)c1 ZINC000289722129 552367927 /nfs/dbraw/zinc/36/79/27/552367927.db2.gz IOEKNGHGJGGKAC-UHFFFAOYSA-N 1 0 372.494 2.486 20 30 FEEDRO N#Cc1ccc(C[NH2+][C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)o1 ZINC000289975363 552408166 /nfs/dbraw/zinc/40/81/66/552408166.db2.gz DHOHRTRNFHUHGR-GFCCVEGCSA-N 1 0 351.453 2.156 20 30 FEEDRO CCOc1cccc([C@H](C)[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)c1 ZINC000290119279 552429782 /nfs/dbraw/zinc/42/97/82/552429782.db2.gz YVJDUBMWIJSKGV-AWEZNQCLSA-N 1 0 359.451 2.476 20 30 FEEDRO CN(C)CC[N@H+](C)CCCN(C)C(=O)CCCCOc1cccc(C#N)c1 ZINC000290252731 552448544 /nfs/dbraw/zinc/44/85/44/552448544.db2.gz YCKQXGMFUQAARA-UHFFFAOYSA-N 1 0 374.529 2.449 20 30 FEEDRO CCO[C@H]1C[C@H](N(C)CCS(=O)(=O)c2ccc(C#N)cn2)C12CCC2 ZINC000290262948 552450277 /nfs/dbraw/zinc/45/02/77/552450277.db2.gz KVSWFDVGISNROL-HOTGVXAUSA-N 1 0 363.483 2.006 20 30 FEEDRO CC[N@@H+]1CC[C@H](N(C)c2nnc(COc3ccc(C#N)cc3)n2C)[C@H](C)C1 ZINC000290321846 552460272 /nfs/dbraw/zinc/46/02/72/552460272.db2.gz ZOFXRWOUKUCQEK-QAPCUYQASA-N 1 0 368.485 2.432 20 30 FEEDRO C=CCn1c(SC[C@H](O)C[N@@H+](C)C2CC2)nc2sccc2c1=O ZINC000290499286 552489027 /nfs/dbraw/zinc/48/90/27/552489027.db2.gz ANKHHERHLQEBAL-GFCCVEGCSA-N 1 0 351.497 2.191 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)NCc2cc(C)nc(N3CCCC3)c2)CC1 ZINC000290786198 552537694 /nfs/dbraw/zinc/53/76/94/552537694.db2.gz SKTFTNLWWQQIIZ-UHFFFAOYSA-N 1 0 357.502 2.440 20 30 FEEDRO CCN(CCC#N)C(=O)C[NH2+][C@@H](C)c1ccc(N2CCCNC2=O)cc1 ZINC000291220353 552601969 /nfs/dbraw/zinc/60/19/69/552601969.db2.gz LKJOJVFENHIYTR-HNNXBMFYSA-N 1 0 357.458 2.019 20 30 FEEDRO CON(C)C(=O)C1CC[NH+](Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1 ZINC000291250446 552606574 /nfs/dbraw/zinc/60/65/74/552606574.db2.gz LYDZDLFNNNZIPZ-UHFFFAOYSA-N 1 0 367.453 2.191 20 30 FEEDRO CN(C(=O)CN1CC[C@@](CO)(c2ccccc2)C1)C1(C#N)CCCCC1 ZINC000291380748 552620765 /nfs/dbraw/zinc/62/07/65/552620765.db2.gz ASZYZBOCBXWEQS-HXUWFJFHSA-N 1 0 355.482 2.307 20 30 FEEDRO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292074048 552691051 /nfs/dbraw/zinc/69/10/51/552691051.db2.gz DZGWVRHLKYBTAB-OXQOHEQNSA-N 1 0 358.461 2.488 20 30 FEEDRO Cc1c(-c2cc(C[N@@H+]3CC[C@@H](Oc4ccc(C#N)cn4)C3)on2)cnn1C ZINC000292383137 552721574 /nfs/dbraw/zinc/72/15/74/552721574.db2.gz ZGXQZOIQURLCBB-OAHLLOKOSA-N 1 0 364.409 2.304 20 30 FEEDRO C[N@@H+]1CC[C@@]2(CCN(Cc3cn(CCC#N)nc3-c3ccncc3)C2)C1 ZINC000292701384 552750652 /nfs/dbraw/zinc/75/06/52/552750652.db2.gz CKJZGIGHSBJULD-HXUWFJFHSA-N 1 0 350.470 2.386 20 30 FEEDRO C=CCC[C@H](O)C[N@@H+](CC)C[C@@H](O)COc1ccc(CCOC)cc1 ZINC000292916194 552770981 /nfs/dbraw/zinc/77/09/81/552770981.db2.gz HTWOMLAVGRYYBL-RBUKOAKNSA-N 1 0 351.487 2.264 20 30 FEEDRO CCOCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[NH+](CC)CC1 ZINC000292925966 552771802 /nfs/dbraw/zinc/77/18/02/552771802.db2.gz KCKKIOXBHCYPPS-UHFFFAOYSA-N 1 0 368.485 2.385 20 30 FEEDRO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+]1CCC[C@@H](CO)CC1 ZINC000293269567 552805529 /nfs/dbraw/zinc/80/55/29/552805529.db2.gz UVSBLHMMLJOZHF-IAGOWNOFSA-N 1 0 359.470 2.425 20 30 FEEDRO C[NH+](C)[C@@]1(CNC(=O)c2cnc(C(F)(F)F)c(C#N)c2)CCSC1 ZINC000293317749 552810872 /nfs/dbraw/zinc/81/08/72/552810872.db2.gz UTRKASAMFCNAEL-CQSZACIVSA-N 1 0 358.389 2.139 20 30 FEEDRO C=CCC(C)(C)CNC(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000293483360 552828298 /nfs/dbraw/zinc/82/82/98/552828298.db2.gz VELOQVUFINCCMA-UHFFFAOYSA-N 1 0 372.513 2.091 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)Cc1csc(Cc2ccc(F)cc2)n1 ZINC000293856438 552862823 /nfs/dbraw/zinc/86/28/23/552862823.db2.gz AXBBUGHWNSKVAM-UHFFFAOYSA-N 1 0 359.470 2.487 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)c1occc1COc1cccc(C#N)c1 ZINC000294085326 552880893 /nfs/dbraw/zinc/88/08/93/552880893.db2.gz XDQDPWANKROONC-UHFFFAOYSA-N 1 0 351.406 2.415 20 30 FEEDRO C#CCO[C@H](C)C(=O)NCc1ccc(OCC[NH+](CC)CC)c(OC)c1 ZINC000294402901 552903538 /nfs/dbraw/zinc/90/35/38/552903538.db2.gz ADMCVKSILLYHPL-MRXNPFEDSA-N 1 0 362.470 2.070 20 30 FEEDRO C[C@@H]1CN(CC(=O)N(CCC#N)CCC#N)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC000501788084 561605623 /nfs/dbraw/zinc/60/56/23/561605623.db2.gz DAMIXEACIZKZGU-MOPGFXCFSA-N 1 0 367.497 2.237 20 30 FEEDRO C#CCO[C@H](C)C(=O)N(C)C1CC[NH+](Cc2ncc(C)c(OC)c2C)CC1 ZINC000294600911 552919428 /nfs/dbraw/zinc/91/94/28/552919428.db2.gz NSZGRANBXHKVQO-QGZVFWFLSA-N 1 0 373.497 2.168 20 30 FEEDRO C=CCc1cc(C[NH2+]CC2(OCCOC)CCOCC2)cc(OC)c1O ZINC000294772938 552933155 /nfs/dbraw/zinc/93/31/55/552933155.db2.gz KJSUXZRUNIQYTI-UHFFFAOYSA-N 1 0 365.470 2.431 20 30 FEEDRO C#CCO[C@@H](C)C(=O)NCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000295322654 552987294 /nfs/dbraw/zinc/98/72/94/552987294.db2.gz OWPGOJRBGZKLAE-SFHVURJKSA-N 1 0 358.482 2.212 20 30 FEEDRO C=CCOc1c(Br)cc(C[NH2+][C@@H]2COC[C@H]2O)cc1OCC ZINC000295454064 553009366 /nfs/dbraw/zinc/00/93/66/553009366.db2.gz FGCGQCNYGHCFNI-ZIAGYGMSSA-N 1 0 372.259 2.262 20 30 FEEDRO C=CCOc1ccc(CC(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)cc1 ZINC000295745701 553053593 /nfs/dbraw/zinc/05/35/93/553053593.db2.gz GPZVIVKYIQMZPW-GOSISDBHSA-N 1 0 358.482 2.411 20 30 FEEDRO Cn1c([C@@H]2CCCO2)nnc1N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000296016566 553090303 /nfs/dbraw/zinc/09/03/03/553090303.db2.gz RNABHQXHERNGTI-SFHVURJKSA-N 1 0 366.469 2.251 20 30 FEEDRO CCn1c([C@H]2CCCO2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000296031427 553092400 /nfs/dbraw/zinc/09/24/00/553092400.db2.gz SURKQRFQNSNYGM-GOSISDBHSA-N 1 0 366.469 2.343 20 30 FEEDRO CC(C)(C)c1cc(C#N)c(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)s1 ZINC000296037257 553093971 /nfs/dbraw/zinc/09/39/71/553093971.db2.gz ORKZPFNGILDXKE-LBPRGKRZSA-N 1 0 374.510 2.456 20 30 FEEDRO COC(=O)C1CCN(C(=O)CN2CC=C(c3ccc(C#N)cc3)CC2)CC1 ZINC000502534082 561620496 /nfs/dbraw/zinc/62/04/96/561620496.db2.gz JCLLKAIDPYOTMX-UHFFFAOYSA-N 1 0 367.449 2.059 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H]2CCCC[C@H]2OC(F)F)cc1 ZINC000502561178 561621090 /nfs/dbraw/zinc/62/10/90/561621090.db2.gz BNLKAIKXHFYJIP-HUUCEWRRSA-N 1 0 358.410 2.472 20 30 FEEDRO C[C@@H]1CN([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC[N@@H+](C2CC2)C1 ZINC000296695559 553199177 /nfs/dbraw/zinc/19/91/77/553199177.db2.gz KFRWRSHBEBYKJM-OXJNMPFZSA-N 1 0 352.482 2.470 20 30 FEEDRO C#CC[N@@H+](C)CCCNC(=O)N[C@@H](c1nccn1C)c1ccc(Cl)cc1 ZINC000296863015 553222037 /nfs/dbraw/zinc/22/20/37/553222037.db2.gz KQEAJIJUWKWDGJ-QGZVFWFLSA-N 1 0 373.888 2.417 20 30 FEEDRO Cc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H](CC(C)C)C[NH+]1CCCC1 ZINC000296932574 553231524 /nfs/dbraw/zinc/23/15/24/553231524.db2.gz SJGAZIVNLPCACY-KRWDZBQOSA-N 1 0 356.470 2.432 20 30 FEEDRO C=CCCO[C@H](C)C(=O)N1CC[C@H](c2ccc(OC)c(F)c2)[C@H]([NH3+])C1 ZINC000297228181 553266387 /nfs/dbraw/zinc/26/63/87/553266387.db2.gz OOLUTDNLWZOLOZ-FRFSOERESA-N 1 0 350.434 2.459 20 30 FEEDRO C=CCOc1c(Br)cc(CN2CC(CC(N)=O)C2)cc1OC ZINC000297337189 553280360 /nfs/dbraw/zinc/28/03/60/553280360.db2.gz FIYHRXNSUVKXPC-UHFFFAOYSA-N 1 0 369.259 2.330 20 30 FEEDRO C=C(C)C[C@@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCC[NH+](C)C ZINC000298250782 553403847 /nfs/dbraw/zinc/40/38/47/553403847.db2.gz DOPOLABGGSVIGJ-VQIMIIECSA-N 1 0 357.498 2.220 20 30 FEEDRO COC[C@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCC2)[C@H]1CCCO1 ZINC000298448461 553425884 /nfs/dbraw/zinc/42/58/84/553425884.db2.gz HHQNRSDKBIIPQR-LSDHHAIUSA-N 1 0 363.483 2.221 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)Nc1sccc1C#N)C(C)C ZINC000298707459 553461297 /nfs/dbraw/zinc/46/12/97/553461297.db2.gz VJNMXOMYQDOQDZ-HNNXBMFYSA-N 1 0 360.483 2.373 20 30 FEEDRO C[NH+]1CCC([C@H]2CCN(C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)C2)CC1 ZINC000503614012 561645575 /nfs/dbraw/zinc/64/55/75/561645575.db2.gz VWWNVVQZPGZLLE-JXFKEZNVSA-N 1 0 363.502 2.438 20 30 FEEDRO CCCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000299142862 553521070 /nfs/dbraw/zinc/52/10/70/553521070.db2.gz AEBGAVJRWFTXQE-QFBILLFUSA-N 1 0 370.497 2.191 20 30 FEEDRO COc1ccc([C@H](C/N=C/c2c(O)c(C)ncc2CO)[NH+](C)C)cc1OC ZINC000299505536 553573022 /nfs/dbraw/zinc/57/30/22/553573022.db2.gz VHSMRJKXYOHMLF-GVLJNOETSA-N 1 0 373.453 2.327 20 30 FEEDRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(c2ccc(C#N)cc2[N+](=O)[O-])CC1 ZINC000299711523 553605051 /nfs/dbraw/zinc/60/50/51/553605051.db2.gz VEDALYSEYQQKHF-IYBDPMFKSA-N 1 0 357.458 2.461 20 30 FEEDRO CC(C)(O)C[NH+]1CCN(c2cc(Br)c(C#N)cc2F)CC1 ZINC000313706046 553757920 /nfs/dbraw/zinc/75/79/20/553757920.db2.gz AAVHOWHGWMSRKW-UHFFFAOYSA-N 1 0 356.239 2.353 20 30 FEEDRO CCN(CC)C(=O)C1CCN(C(=O)NCC2CC[NH+](C3CC3)CC2)CC1 ZINC000328601635 553795033 /nfs/dbraw/zinc/79/50/33/553795033.db2.gz FVRISVCBMAYTOT-UHFFFAOYSA-N 1 0 364.534 2.355 20 30 FEEDRO C[N@@H+]1CCC[C@H](CNC(=O)N2CC[C@](F)(CO)C2)[C@@H]1c1cccs1 ZINC000328702274 553809687 /nfs/dbraw/zinc/80/96/87/553809687.db2.gz NSTHTFUKMZLSTG-FRFSOERESA-N 1 0 355.479 2.451 20 30 FEEDRO C[C@H](CNC(=O)NC[C@@H]1CCC2(CCOCC2)[C@@H]1O)[NH+]1CCC(C)CC1 ZINC000328719776 553812098 /nfs/dbraw/zinc/81/20/98/553812098.db2.gz VTOBAJRRSXLXFO-FGTMMUONSA-N 1 0 367.534 2.178 20 30 FEEDRO O=C(Nc1nccn1-c1ccccc1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000328747062 553816070 /nfs/dbraw/zinc/81/60/70/553816070.db2.gz OXFOBKVKHCFKTL-UHFFFAOYSA-N 1 0 369.469 2.462 20 30 FEEDRO C[C@H]1CN(C(=O)Nc2ccc3nc(N4CCOCC4)oc3c2)C[C@H]1[NH+](C)C ZINC000328799712 553823879 /nfs/dbraw/zinc/82/38/79/553823879.db2.gz HMGWEUZRLVVVTB-XJKSGUPXSA-N 1 0 373.457 2.092 20 30 FEEDRO Cc1ccccc1C(=O)NC1CCN(C(=O)C[N@@H+]2CCCO[C@H](C)C2)CC1 ZINC000328802064 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C[C@@H](C#N)CN(C)S(=O)(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000330379119 554113239 /nfs/dbraw/zinc/11/32/39/554113239.db2.gz GMWKIDVAMSKTCN-JKSUJKDBSA-N 1 0 364.515 2.138 20 30 FEEDRO C[C@H](CC#N)N(C)S(=O)(=O)NC[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000330410922 554118134 /nfs/dbraw/zinc/11/81/34/554118134.db2.gz JXIVLEKXBQZSTR-NVXWUHKLSA-N 1 0 356.536 2.099 20 30 FEEDRO CC[NH+](CC)C[C@H](C)NC(=O)N1CCN(C(=O)c2ccc(C)cc2)CC1 ZINC000330477175 554126324 /nfs/dbraw/zinc/12/63/24/554126324.db2.gz IIZMKJGTVJWOGX-KRWDZBQOSA-N 1 0 360.502 2.397 20 30 FEEDRO CC(C)C(=O)NC1CCN(C(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000330482340 554127476 /nfs/dbraw/zinc/12/74/76/554127476.db2.gz RJXHTZMJVBWSRQ-HZPDHXFCSA-N 1 0 352.523 2.257 20 30 FEEDRO COC(=O)c1cc(NC(=O)N2CC[N@H+](C[C@H](C)O)C[C@@H]2C)cc(C)c1C ZINC000330530425 554134074 /nfs/dbraw/zinc/13/40/74/554134074.db2.gz GGSUPEIHIXLIDQ-KBPBESRZSA-N 1 0 363.458 2.022 20 30 FEEDRO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1C[C@@H](COCC(=O)N(C)C)OC(C)(C)C1 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352.523 2.446 20 30 FEEDRO C[C@@H]1CC[C@H](NC(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)C1 ZINC000331218096 554232437 /nfs/dbraw/zinc/23/24/37/554232437.db2.gz GVRSHOJNCXPHGV-ZBFHGGJFSA-N 1 0 352.523 2.305 20 30 FEEDRO C[C@H](COc1cccc(F)c1)NC(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000331229084 554234049 /nfs/dbraw/zinc/23/40/49/554234049.db2.gz OVUVUPVDMNKWEI-CABCVRRESA-N 1 0 367.465 2.284 20 30 FEEDRO CC[C@H]1CN(C(=O)Nc2cc(C)c(N(C)C)cc2C#N)CC[N@@H+]1C[C@H](C)O ZINC000331237333 554234920 /nfs/dbraw/zinc/23/49/20/554234920.db2.gz HGAHYLIFGZDOMQ-RDJZCZTQSA-N 1 0 373.501 2.242 20 30 FEEDRO N#Cc1cccc(C[NH2+]CCNS(=O)(=O)c2ccc(F)cc2Cl)c1 ZINC000509399640 561797586 /nfs/dbraw/zinc/79/75/86/561797586.db2.gz AJVJAPNJMBIFGU-UHFFFAOYSA-N 1 0 367.833 2.419 20 30 FEEDRO CC(C)(C)[C@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)N1CCO[C@H](C#N)C1 ZINC000331979090 554356204 /nfs/dbraw/zinc/35/62/04/554356204.db2.gz FBWJRKWBXWEQRK-MOPGFXCFSA-N 1 0 370.497 2.393 20 30 FEEDRO CC(C)(C)c1cc(C#N)c(NC(=O)C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)s1 ZINC000332108371 554382181 /nfs/dbraw/zinc/38/21/81/554382181.db2.gz SGGDDSXYMKFUEF-DGCLKSJQSA-N 1 0 360.483 2.066 20 30 FEEDRO CCC[N@H+](C)[C@H](CNS(=O)(=O)N(C)CCC#N)c1ccc(Cl)cc1 ZINC000509633143 561808177 /nfs/dbraw/zinc/80/81/77/561808177.db2.gz MEAIKMNBIDFTBZ-MRXNPFEDSA-N 1 0 372.922 2.403 20 30 FEEDRO CC(C)[C@@H]1CCc2c(sc(NC(=O)C(=O)N3CCC[C@H]([NH3+])C3)c2C#N)C1 ZINC000332315429 554423165 /nfs/dbraw/zinc/42/31/65/554423165.db2.gz IPAOIYAYETWUDY-OLZOCXBDSA-N 1 0 374.510 2.269 20 30 FEEDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)Nc3cc(C#N)ccc3Cl)CC[C@H]21 ZINC000332521469 554461639 /nfs/dbraw/zinc/46/16/39/554461639.db2.gz ZHIQCFYRVCGSCF-CZUORRHYSA-N 1 0 360.845 2.093 20 30 FEEDRO CCCN(CC[NH+]1CCCCC1)S(=O)(=O)c1ccc(C#N)cc1OC ZINC000510506882 561837045 /nfs/dbraw/zinc/83/70/45/561837045.db2.gz BTRFUKVGNOHUGT-UHFFFAOYSA-N 1 0 365.499 2.453 20 30 FEEDRO Cn1cc(C#N)c(=NC(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)[nH]1 ZINC000610560570 554528767 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369.469 2.038 20 30 FEEDRO C=CC[C@H](C(=O)N1CC[NH+]([C@@H]2CCNC(=O)CC2)CC1)c1ccccc1 ZINC000333730697 554637477 /nfs/dbraw/zinc/63/74/77/554637477.db2.gz JUZYMEGTFOUNTD-OALUTQOASA-N 1 0 355.482 2.159 20 30 FEEDRO C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000333822679 554646775 /nfs/dbraw/zinc/64/67/75/554646775.db2.gz RLIMUJAVNNIJKS-HOBHPSKFSA-N 1 0 357.458 2.035 20 30 FEEDRO C=CCOC[C@@H]1NC(=O)N(C2CC[NH+](Cc3ccccc3C)CC2)C1=O ZINC000348504684 554687413 /nfs/dbraw/zinc/68/74/13/554687413.db2.gz YTNVZBNQXAMWTR-SFHVURJKSA-N 1 0 357.454 2.082 20 30 FEEDRO C[NH+](C)C1CCN(C(=O)Cc2noc(-c3ccc(C#N)c(Cl)c3)n2)CC1 ZINC000350275626 554775330 /nfs/dbraw/zinc/77/53/30/554775330.db2.gz UAFWUYCXRHHWKN-UHFFFAOYSA-N 1 0 373.844 2.357 20 30 FEEDRO CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H]2CCC[C@@H]3O[C@@H](CC#N)C[C@@H]32)ncn1 ZINC000360054773 554861484 /nfs/dbraw/zinc/86/14/84/554861484.db2.gz GHWUSVOMJTZJSJ-ILOCAZANSA-N 1 0 370.501 2.317 20 30 FEEDRO C=CCNC(=O)C[N@H+]1CCC[C@H]([C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000360145818 554864742 /nfs/dbraw/zinc/86/47/42/554864742.db2.gz AEUYPTSBYYBDQO-HOTGVXAUSA-N 1 0 351.491 2.400 20 30 FEEDRO N#Cc1ccc(OC[C@@H](O)C[NH+]2CCC(n3cc(Cl)cn3)CC2)cc1 ZINC000360638726 554883189 /nfs/dbraw/zinc/88/31/89/554883189.db2.gz OKCFQNVKXHNOKH-KRWDZBQOSA-N 1 0 360.845 2.485 20 30 FEEDRO C#CC[C@H](NC(=O)N1CCC[C@H](C[NH+]2CCN(C)CC2)C1)c1ccccc1 ZINC000362729344 554984856 /nfs/dbraw/zinc/98/48/56/554984856.db2.gz XXMJWLMYTOGUIG-CTNGQTDRSA-N 1 0 368.525 2.420 20 30 FEEDRO CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCC(C(=O)Nc2cc(C)ccn2)CC1 ZINC000363007713 555008685 /nfs/dbraw/zinc/00/86/85/555008685.db2.gz NFVZTHILPMMVIW-MRXNPFEDSA-N 1 0 371.485 2.049 20 30 FEEDRO C[C@@H](C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000511771449 561880250 /nfs/dbraw/zinc/88/02/50/561880250.db2.gz RSEFBJHOXLDBCD-KSZLIROESA-N 1 0 354.498 2.464 20 30 FEEDRO C=C(C)COc1cccc(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000363457117 555110862 /nfs/dbraw/zinc/11/08/62/555110862.db2.gz INUGJBVCCUPUGB-IRXDYDNUSA-N 1 0 357.454 2.323 20 30 FEEDRO CC[N@H+](CCNC(=O)[C@H]1CCCN(c2nc(C)ccc2C#N)C1)C1CC1 ZINC000363588289 555142487 /nfs/dbraw/zinc/14/24/87/555142487.db2.gz FYJVANJDLOYGSS-KRWDZBQOSA-N 1 0 355.486 2.079 20 30 FEEDRO COc1cc(C#N)ccc1OCCCC(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000363941978 555218879 /nfs/dbraw/zinc/21/88/79/555218879.db2.gz SFQWHOWYIUSCGB-DLBZAZTESA-N 1 0 357.454 2.469 20 30 FEEDRO C=CCNC(=O)NC(=O)C[NH2+][C@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000512202408 561895853 /nfs/dbraw/zinc/89/58/53/561895853.db2.gz JZYKHSGTQFYWAJ-CYBMUJFWSA-N 1 0 360.241 2.018 20 30 FEEDRO N#Cc1ccc(C(F)(F)F)c(N2CCC(O)(C[NH+]3CCOCC3)CC2)c1 ZINC000364278192 555283775 /nfs/dbraw/zinc/28/37/75/555283775.db2.gz HYQMQQUFKAVOOI-UHFFFAOYSA-N 1 0 369.387 2.241 20 30 FEEDRO CC(=O)N1CCC[C@@H]1[C@H]1CCCN1CC(=O)Nc1oc(C)c(C)c1C#N ZINC000364377646 555302101 /nfs/dbraw/zinc/30/21/01/555302101.db2.gz OTGKFCAPBILBFE-IAGOWNOFSA-N 1 0 358.442 2.182 20 30 FEEDRO Cc1ccc(N(CCC#N)C(=O)CN2CCCC[C@H]2C(=[NH2+])NO)cc1C ZINC000364416224 555309482 /nfs/dbraw/zinc/30/94/82/555309482.db2.gz ONYSUTJCDYZBNC-KRWDZBQOSA-N 1 0 357.458 2.361 20 30 FEEDRO C[C@H](NC(=O)[C@@H]1CCC(=O)N1Cc1cccc(C#N)c1)C(C)(C)C[NH+](C)C ZINC000364517230 555328220 /nfs/dbraw/zinc/32/82/20/555328220.db2.gz ITMIDMWUNFUXFT-YJBOKZPZSA-N 1 0 370.497 2.142 20 30 FEEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc2c(cn1)OCCC2 ZINC000364694570 555376762 /nfs/dbraw/zinc/37/67/62/555376762.db2.gz KFIBSVJHPLHGPK-UHFFFAOYSA-N 1 0 364.449 2.482 20 30 FEEDRO CC[C@@H](C)[N@H+](C)CCNC(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 ZINC000512573324 561909445 /nfs/dbraw/zinc/90/94/45/561909445.db2.gz QSAYAEPOOKPHNT-MJGOQNOKSA-N 1 0 357.502 2.136 20 30 FEEDRO C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000365041225 555471422 /nfs/dbraw/zinc/47/14/22/555471422.db2.gz WRCMUGHXIJIZOL-HZPDHXFCSA-N 1 0 370.453 2.003 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cn(CC)nc2-c2cnn(C)c2)CC1 ZINC000365079764 555480093 /nfs/dbraw/zinc/48/00/93/555480093.db2.gz ZWRBKHOEIMXWIP-UHFFFAOYSA-N 1 0 356.474 2.074 20 30 FEEDRO CCCCCCCCNC(=[NH2+])NC[C@@H]1CCC[C@@]12NC(=O)N(C)C2=O ZINC000365691269 555641904 /nfs/dbraw/zinc/64/19/04/555641904.db2.gz JJPYYWBQGBXFQC-KBXCAEBGSA-N 1 0 351.495 2.181 20 30 FEEDRO CC(C)N(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000513458173 561939079 /nfs/dbraw/zinc/93/90/79/561939079.db2.gz OFBKPGOQRPMARS-MRXNPFEDSA-N 1 0 372.513 2.388 20 30 FEEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+]C3(CO)Cc4ccccc4C3)C2=O)cc1 ZINC000366089231 555748143 /nfs/dbraw/zinc/74/81/43/555748143.db2.gz WFILXOCQGMBGAK-HXUWFJFHSA-N 1 0 361.445 2.173 20 30 FEEDRO CC(C)(C)C(=O)N1CCC(C[NH+]2CCC(n3cnc(C#N)n3)CC2)CC1 ZINC000366367023 555823443 /nfs/dbraw/zinc/82/34/43/555823443.db2.gz CQHVOZGVMLUXEB-UHFFFAOYSA-N 1 0 358.490 2.071 20 30 FEEDRO Cc1cccc(CC2(O)CCN(CC(=O)N[C@](C)(C#N)C3CC3)CC2)c1 ZINC000366480935 555856907 /nfs/dbraw/zinc/85/69/07/555856907.db2.gz FHHUXQBSRGFLII-HXUWFJFHSA-N 1 0 355.482 2.173 20 30 FEEDRO CC[NH+]1CCC(NC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)CC1 ZINC000514197751 561963157 /nfs/dbraw/zinc/96/31/57/561963157.db2.gz SKLKYNOFRJVXMJ-UHFFFAOYSA-N 1 0 359.449 2.013 20 30 FEEDRO C[NH+]1CCC2(CCCN(S(=O)(=O)c3ccc(F)c(C#N)c3)C2)CC1 ZINC000366824902 555944485 /nfs/dbraw/zinc/94/44/85/555944485.db2.gz PQFAIJNYQCARBB-UHFFFAOYSA-N 1 0 351.447 2.194 20 30 FEEDRO CN1C(=O)C[C@@H]([NH2+]Cc2cnc3ccc(C#N)cn23)[C@H]1c1ccc(F)cc1 ZINC000366931084 555974155 /nfs/dbraw/zinc/97/41/55/555974155.db2.gz DCMBSWCVWVFQAB-YLJYHZDGSA-N 1 0 363.396 2.407 20 30 FEEDRO CC(C)(C)OC(=O)N1CCN2C(NCC3CCC(C#N)CC3)=[NH+]C[C@H]2C1 ZINC000367028445 556000312 /nfs/dbraw/zinc/00/03/12/556000312.db2.gz FKVFUUCGVNTCFH-GPANFISMSA-N 1 0 361.490 2.197 20 30 FEEDRO CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc(F)c(C#N)c1 ZINC000367597174 556093045 /nfs/dbraw/zinc/09/30/45/556093045.db2.gz MKDDNURQSZTROA-NRFANRHFSA-N 1 0 367.424 2.406 20 30 FEEDRO C[C@@H](CO)[N@@H+]1CCCN(c2c(C#N)cnc3c(F)c(F)c(F)cc32)CC1 ZINC000367826684 556148709 /nfs/dbraw/zinc/14/87/09/556148709.db2.gz PHFUMZVWEYRXOE-NSHDSACASA-N 1 0 364.371 2.417 20 30 FEEDRO C=CCN1CC[C@@H]([NH+]2CCC(n3cc(Br)cn3)CC2)C1=O ZINC000368537453 556338946 /nfs/dbraw/zinc/33/89/46/556338946.db2.gz INEGMKVZTVKYRO-CQSZACIVSA-N 1 0 353.264 2.069 20 30 FEEDRO C#CCNC(=O)C1CC[NH+]([C@H](C)C(=O)N2CCC[C@@H]2c2cccs2)CC1 ZINC000368822373 556422630 /nfs/dbraw/zinc/42/26/30/556422630.db2.gz GSQAEOOTIVAGKG-NVXWUHKLSA-N 1 0 373.522 2.262 20 30 FEEDRO N#Cc1cccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCCCCC3)C2)c1 ZINC000368869363 556433811 /nfs/dbraw/zinc/43/38/11/556433811.db2.gz PXYQXFSFOQUMCT-QGZVFWFLSA-N 1 0 354.454 2.410 20 30 FEEDRO C[N@@H+]1CC[C@H]2CCN(S(=O)(=O)c3ccc(C(F)(F)F)c(C#N)c3)C[C@@H]21 ZINC000369116834 556508701 /nfs/dbraw/zinc/50/87/01/556508701.db2.gz OCJYRLJMVLEIBF-NHYWBVRUSA-N 1 0 373.400 2.292 20 30 FEEDRO CCOc1ccc(C#N)cc1NC(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000369404428 556592950 /nfs/dbraw/zinc/59/29/50/556592950.db2.gz ZZQORCYDIGDHMQ-IAGOWNOFSA-N 1 0 358.442 2.020 20 30 FEEDRO Cn1cc([C@@H]2[C@@H](C[NH2+]Cc3cnc4ccc(C#N)cn34)CCCN2C)cn1 ZINC000369479062 556607887 /nfs/dbraw/zinc/60/78/87/556607887.db2.gz RBBLMOLNIMCQIP-UZLBHIALSA-N 1 0 363.469 2.112 20 30 FEEDRO CCN(CCC#N)C(=O)C[NH+]1CCC([C@H]2CCCCCN2C(C)=O)CC1 ZINC000369520040 556618430 /nfs/dbraw/zinc/61/84/30/556618430.db2.gz QHEFYNNKPFVBSZ-LJQANCHMSA-N 1 0 362.518 2.252 20 30 FEEDRO COc1cc(C#N)ccc1OCC[NH+]1CCC(NC(=O)c2ccc[nH]2)CC1 ZINC000369591138 556641238 /nfs/dbraw/zinc/64/12/38/556641238.db2.gz JVNIOGZOZLDUSJ-UHFFFAOYSA-N 1 0 368.437 2.168 20 30 FEEDRO COc1ccc(C[NH2+]C[C@H]2CCCN(C)[C@H]2c2cnn(C)c2)cc1C#N ZINC000369671136 556664913 /nfs/dbraw/zinc/66/49/13/556664913.db2.gz DAVYDNASXSTLQE-OXQOHEQNSA-N 1 0 353.470 2.473 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[S@](=O)CC[C@H]1C)C(C)C ZINC000369731839 556680008 /nfs/dbraw/zinc/68/00/08/556680008.db2.gz LJSMIUGLMAWXPD-HOZJOUCCSA-N 1 0 355.548 2.238 20 30 FEEDRO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@@H](Cc2nnc3ccccn32)C1 ZINC000369942607 556736776 /nfs/dbraw/zinc/73/67/76/556736776.db2.gz BWSAIYMKRMEPFW-OXJNMPFZSA-N 1 0 368.485 2.038 20 30 FEEDRO C=CCC[C@H](C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)c1ccccc1 ZINC000369956482 556740830 /nfs/dbraw/zinc/74/08/30/556740830.db2.gz BZTBIEGWFYGIRJ-RTWAWAEBSA-N 1 0 371.525 2.259 20 30 FEEDRO N#Cc1cccc(CNC(=O)CN2CCC(OC[C@@H]3CCCCO3)CC2)c1 ZINC000370213781 556812472 /nfs/dbraw/zinc/81/24/72/556812472.db2.gz BXMIAYQNLUSGRE-FQEVSTJZSA-N 1 0 371.481 2.225 20 30 FEEDRO C=CCN(C(=O)c1cc(C(N)=O)cn1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000370327115 556840343 /nfs/dbraw/zinc/84/03/43/556840343.db2.gz SURHSKPMYIXORE-GOSISDBHSA-N 1 0 366.465 2.027 20 30 FEEDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000370410799 556865167 /nfs/dbraw/zinc/86/51/67/556865167.db2.gz RWICBZKEYWLNDZ-GUDVDZBRSA-N 1 0 353.466 2.300 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NC1CC[NH+](CCc2ccncc2)CC1 ZINC000370463090 556879300 /nfs/dbraw/zinc/87/93/00/556879300.db2.gz RKCFFQCAVVVYTJ-QUCCMNQESA-N 1 0 372.513 2.369 20 30 FEEDRO C=CCC[C@@H](O)C[N@H+]1CCCN(Cc2nc([C@H](C)OCC)no2)CC1 ZINC000370494444 556889368 /nfs/dbraw/zinc/88/93/68/556889368.db2.gz DRKXSFREHJHDTF-JKSUJKDBSA-N 1 0 352.479 2.002 20 30 FEEDRO C[NH+](C)C[C@H]1CN(C(=O)COc2ccc(C#N)cc2)c2ccccc2O1 ZINC000370503693 556892970 /nfs/dbraw/zinc/89/29/70/556892970.db2.gz WTQOQVMYFJCOMG-KRWDZBQOSA-N 1 0 351.406 2.293 20 30 FEEDRO C=CCOc1cccc(C[NH2+]C[C@@H]2CC(=O)N(C)[C@H]2c2cnn(C)c2)c1 ZINC000370723720 556949987 /nfs/dbraw/zinc/94/99/87/556949987.db2.gz WBNULDIFNYDBSB-OXJNMPFZSA-N 1 0 354.454 2.294 20 30 FEEDRO CC(C)n1nccc1NC(=O)[C@@H](C)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000370738210 556954074 /nfs/dbraw/zinc/95/40/74/556954074.db2.gz JPZFOGONFHKTLA-GDBMZVCRSA-N 1 0 368.441 2.211 20 30 FEEDRO C#CCOc1ccc([C@@H](C)[NH2+]C[C@@]2(N3CCOCC3)CCCOC2)cc1 ZINC000371282426 557130693 /nfs/dbraw/zinc/13/06/93/557130693.db2.gz GWIZJHSUSIUOHM-NQIIRXRSSA-N 1 0 358.482 2.231 20 30 FEEDRO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC[C@@H]1C[C@@H](O)c1cnn(C)c1 ZINC000371334057 557149812 /nfs/dbraw/zinc/14/98/12/557149812.db2.gz DDTKYPIETUWGSD-KBAYOESNSA-N 1 0 373.501 2.039 20 30 FEEDRO N#Cc1cc([N+](=O)[O-])cnc1NC1CC[NH+](CC2(O)CCCCC2)CC1 ZINC000371339745 557152377 /nfs/dbraw/zinc/15/23/77/557152377.db2.gz WBTVVELZQZQHJR-UHFFFAOYSA-N 1 0 359.430 2.433 20 30 FEEDRO Cc1cc(C)n2c(CN3C[C@H](C#N)[C@]4(C3)c3ccccc3NC4=O)cnc2n1 ZINC000371457038 557190064 /nfs/dbraw/zinc/19/00/64/557190064.db2.gz HXJJGFNWZQWFRR-YCRPNKLZSA-N 1 0 372.432 2.192 20 30 FEEDRO CC1(C)OCC(C)(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)CO1 ZINC000371529100 557210711 /nfs/dbraw/zinc/21/07/11/557210711.db2.gz QDGSYPZHDZNMQB-UHFFFAOYSA-N 1 0 371.481 2.450 20 30 FEEDRO CC(C)[NH2+]C1CCN(C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CC1 ZINC000371726471 557275770 /nfs/dbraw/zinc/27/57/70/557275770.db2.gz HEZWJAQJPQOEFE-UHFFFAOYSA-N 1 0 370.432 2.877 20 30 FEEDRO CC[C@@H](C)[N@H+](C)CCNC(=O)[C@H]1CCCN(c2nc(C)ccc2C#N)C1 ZINC000371843061 557309841 /nfs/dbraw/zinc/30/98/41/557309841.db2.gz QEAJOLMTPRYMFF-AEFFLSMTSA-N 1 0 357.502 2.325 20 30 FEEDRO Cc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@H]([NH+]2CCCCC2)C1 ZINC000371871929 557316105 /nfs/dbraw/zinc/31/61/05/557316105.db2.gz FKXPFPJGGRZFEM-KRWDZBQOSA-N 1 0 354.454 2.282 20 30 FEEDRO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1NCC(=O)Nc1sccc1C#N ZINC000372360897 557449516 /nfs/dbraw/zinc/44/95/16/557449516.db2.gz XQTAKGZBFYDTPI-VNQPRFMTSA-N 1 0 362.499 2.037 20 30 FEEDRO Cc1cc(NC(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)nn1-c1cccc(C#N)c1 ZINC000372376102 557454538 /nfs/dbraw/zinc/45/45/38/557454538.db2.gz JWHXZYCYARIZDN-QGZVFWFLSA-N 1 0 366.469 2.858 20 30 FEEDRO C=CC[C@@H](C(=O)N1CCC(O)(C[NH+]2CCOCC2)CC1)c1ccccc1 ZINC000372504306 557488123 /nfs/dbraw/zinc/48/81/23/557488123.db2.gz MBWWXPCRZLEKEY-LJQANCHMSA-N 1 0 358.482 2.032 20 30 FEEDRO C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CCC[N@H+](CC(C)(C)O)CC1 ZINC000372575532 557509826 /nfs/dbraw/zinc/50/98/26/557509826.db2.gz YATYNMPENLKLLH-SFHVURJKSA-N 1 0 372.513 2.100 20 30 FEEDRO C=CCN(C(=O)[C@H]1CCCN(C(N)=O)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000372598773 557516635 /nfs/dbraw/zinc/51/66/35/557516635.db2.gz HGOMAZXDDITJJF-OALUTQOASA-N 1 0 370.497 2.066 20 30 FEEDRO CCS(=O)(=O)N(C)CCC[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC000519572405 562135384 /nfs/dbraw/zinc/13/53/84/562135384.db2.gz QKSPFIIBWAQGEN-UHFFFAOYSA-N 1 0 363.405 2.338 20 30 FEEDRO Cc1cc(S(=O)(=O)N2C[C@H](C[NH+](C)C)Oc3ccccc32)ccc1C#N ZINC000373046607 557616432 /nfs/dbraw/zinc/61/64/32/557616432.db2.gz OJUGEBHMWSXHAK-INIZCTEOSA-N 1 0 371.462 2.385 20 30 FEEDRO CN(C)CC[C@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)C(C)(C)C ZINC000519813802 562144951 /nfs/dbraw/zinc/14/49/51/562144951.db2.gz ONZDZWAZXDDAME-KRWDZBQOSA-N 1 0 351.516 2.288 20 30 FEEDRO CN1CCC([N@@H+]2CC[C@@H](NC(=O)C[C@@H](CC#N)c3ccccc3)C2)CC1 ZINC000373507432 557707895 /nfs/dbraw/zinc/70/78/95/557707895.db2.gz IAHSYEDIVWTFHQ-RTBURBONSA-N 1 0 354.498 2.359 20 30 FEEDRO CC(=O)N1CCC[C@H]1[C@H]1CCC[N@@H+]1CCC(=O)Nc1ccccc1C#N ZINC000373965093 557797472 /nfs/dbraw/zinc/79/74/72/557797472.db2.gz MNYXBGYLVYYTJH-MOPGFXCFSA-N 1 0 354.454 2.362 20 30 FEEDRO CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCC[C@@H]([NH+]2CCCCCC2)C1 ZINC000374455604 557886301 /nfs/dbraw/zinc/88/63/01/557886301.db2.gz BLTDQXMKRPCBQC-DLBZAZTESA-N 1 0 356.536 2.053 20 30 FEEDRO N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@@](CO)(c3ccccc3)C2)cc1 ZINC000374559280 557899751 /nfs/dbraw/zinc/89/97/51/557899751.db2.gz FZZQKHHLCWHALI-RBBKRZOGSA-N 1 0 366.461 2.324 20 30 FEEDRO C[C@@H](CC#N)N(C)S(=O)(=O)N1CC[N@H+](Cc2ccccc2)CC[C@H]1C ZINC000374592009 557903771 /nfs/dbraw/zinc/90/37/71/557903771.db2.gz IOBDKCWCPJNADM-DLBZAZTESA-N 1 0 364.515 2.062 20 30 FEEDRO C[NH+]1CCC(C#N)(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC1 ZINC000521241486 562172785 /nfs/dbraw/zinc/17/27/85/562172785.db2.gz NNEXMVCYTQQVBP-UHFFFAOYSA-N 1 0 374.444 2.259 20 30 FEEDRO C=CCc1ccc(OC[C@H](O)CN2CC[C@@H]3CC[N@H+](C)[C@@H]3C2)c(OC)c1 ZINC000375028308 557966517 /nfs/dbraw/zinc/96/65/17/557966517.db2.gz CFOVCQMEYJXRGQ-IPMKNSEASA-N 1 0 360.498 2.189 20 30 FEEDRO C[N@@H+]1CCC[C@H]1CNC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000521348782 562174665 /nfs/dbraw/zinc/17/46/65/562174665.db2.gz RYTLWWNQBSDOQO-HOTGVXAUSA-N 1 0 359.449 2.060 20 30 FEEDRO Cn1cncc1[C@@H]1NC(=O)CC[C@H]1[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000375237051 557996539 /nfs/dbraw/zinc/99/65/39/557996539.db2.gz AAPKXNVYVIOWOA-YLJYHZDGSA-N 1 0 367.453 2.212 20 30 FEEDRO Cn1cc(C[C@@H]2CC[N@@H+]([C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)C2)cn1 ZINC000375819674 558084910 /nfs/dbraw/zinc/08/49/10/558084910.db2.gz ZLKNMGDKUUKHOX-FXAWDEMLSA-N 1 0 363.465 2.352 20 30 FEEDRO CC(C)(C)OC(=O)N1CCN([C@H]2CC[N@H+](CCCSCC#N)C2)CC1 ZINC000375898104 558095485 /nfs/dbraw/zinc/09/54/85/558095485.db2.gz OVDUASYFXJJPNN-INIZCTEOSA-N 1 0 368.547 2.260 20 30 FEEDRO COc1ccc(C[N@@H+]2CCC[C@H](c3n[nH]cc3C(=O)N(C)C)C2)cc1C#N ZINC000376252341 558148216 /nfs/dbraw/zinc/14/82/16/558148216.db2.gz HNUQUOUDSIGBMP-HNNXBMFYSA-N 1 0 367.453 2.371 20 30 FEEDRO CCN([C@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc(C#N)o1 ZINC000376329166 558158892 /nfs/dbraw/zinc/15/88/92/558158892.db2.gz YVTHWSVFDWOXNK-INIZCTEOSA-N 1 0 359.451 2.436 20 30 FEEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)N1CC[C@H]([NH+]2CCCC2)[C@@H]1C ZINC000376525379 558185613 /nfs/dbraw/zinc/18/56/13/558185613.db2.gz DNQYLLMJCBRACM-HKUYNNGSSA-N 1 0 357.502 2.431 20 30 FEEDRO N#CC1(CCC[N@H+]2CCC[C@H]2C(=O)N2CCSCC2)CCOCC1 ZINC000376627902 558199757 /nfs/dbraw/zinc/19/97/57/558199757.db2.gz QALUCPROPLXZJS-INIZCTEOSA-N 1 0 351.516 2.127 20 30 FEEDRO CN(C(=O)[C@H]1CC12CC[NH+](C[C@H](O)c1ccc(C#N)cc1)CC2)C1CC1 ZINC000377184628 558283857 /nfs/dbraw/zinc/28/38/57/558283857.db2.gz NDPSPYZRQWJLCK-MOPGFXCFSA-N 1 0 353.466 2.315 20 30 FEEDRO N#Cc1cc(NC(=O)C(=O)N2CCC([NH2+]C3CCCC3)CC2)ccc1F ZINC000377255117 558299306 /nfs/dbraw/zinc/29/93/06/558299306.db2.gz HMUKMNFBGKGVBO-UHFFFAOYSA-N 1 0 358.417 2.159 20 30 FEEDRO Cc1cc(=NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)[nH]n1CCC#N ZINC000377578230 558369663 /nfs/dbraw/zinc/36/96/63/558369663.db2.gz BKELKWNAXHHNNN-SJLPKXTDSA-N 1 0 366.469 2.890 20 30 FEEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000377578684 558369915 /nfs/dbraw/zinc/36/99/15/558369915.db2.gz AJAVVTZMWFFLAZ-JKSUJKDBSA-N 1 0 358.442 2.330 20 30 FEEDRO N#Cc1cccc(OCCCCC(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c1 ZINC000377610364 558376894 /nfs/dbraw/zinc/37/68/94/558376894.db2.gz WDMFOFSZFCBINN-WOJBJXKFSA-N 1 0 371.481 2.165 20 30 FEEDRO N#Cc1cccc(S(=O)(=O)CCN2CC3(CCC3)[C@H]2[C@@H]2CCCO2)c1 ZINC000377768802 558415955 /nfs/dbraw/zinc/41/59/55/558415955.db2.gz SDKLLVKVSZJYOG-ZWKOTPCHSA-N 1 0 360.479 2.365 20 30 FEEDRO C[NH+](C)[C@H]1CCN(C(=O)NCC2CCN(c3ccccc3C#N)CC2)C1 ZINC000377913358 558446927 /nfs/dbraw/zinc/44/69/27/558446927.db2.gz ZMYZFEVKALBNIX-SFHVURJKSA-N 1 0 355.486 2.120 20 30 FEEDRO Cn1c(Cl)cnc1CN1CCC[N@H+](C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000378136920 558488708 /nfs/dbraw/zinc/48/87/08/558488708.db2.gz CQGVRCOPANAIRQ-QGZVFWFLSA-N 1 0 373.888 2.186 20 30 FEEDRO C[C@@H]1CN(C(=O)c2cccc(SCC#N)c2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000378316991 558528148 /nfs/dbraw/zinc/52/81/48/558528148.db2.gz OMKLQQXVXAYFLP-APWZRJJASA-N 1 0 372.538 2.400 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N2CCC(Cc3occc3C(=O)OC)CC2)CC1 ZINC000378343066 558534356 /nfs/dbraw/zinc/53/43/56/558534356.db2.gz QRLDCGFUXULKAF-UHFFFAOYSA-N 1 0 372.465 2.193 20 30 FEEDRO C=CCOc1ccccc1C(=O)N1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000378366214 558540112 /nfs/dbraw/zinc/54/01/12/558540112.db2.gz BEZFFXGQHOWLDZ-QGZVFWFLSA-N 1 0 357.498 2.492 20 30 FEEDRO C[C@@H]1CN(C(=O)CSc2ccc(C#N)cc2)CCN1C1CC[NH+](C)CC1 ZINC000378371129 558541818 /nfs/dbraw/zinc/54/18/18/558541818.db2.gz PFWSCQRFRQUGOF-MRXNPFEDSA-N 1 0 372.538 2.277 20 30 FEEDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNS(=O)(=O)c2ccc(C#N)cc2F)C1 ZINC000523573343 562215458 /nfs/dbraw/zinc/21/54/58/562215458.db2.gz UXSXMYYUCPBIOR-OKILXGFUSA-N 1 0 353.463 2.344 20 30 FEEDRO Cn1cc(C[NH2+][C@H]2CCO[C@]3(CCOC3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000378486735 558567834 /nfs/dbraw/zinc/56/78/34/558567834.db2.gz WMJGPTAWZFAQLR-AZUAARDMSA-N 1 0 352.438 2.386 20 30 FEEDRO CC(=O)NCC1CC[NH+](Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1 ZINC000378494117 558569017 /nfs/dbraw/zinc/56/90/17/558569017.db2.gz JBKMBMHBFOBYTK-UHFFFAOYSA-N 1 0 351.454 2.307 20 30 FEEDRO C[C@@H]1CN(Cc2cn(CCC#N)nc2-c2ccccc2)C[C@H](C)[N@H+]1CCO ZINC000378568022 558584885 /nfs/dbraw/zinc/58/48/85/558584885.db2.gz WAOKYHFWPZDBBO-HDICACEKSA-N 1 0 367.497 2.351 20 30 FEEDRO C[C@H](CN(C)Cc1ccccc1)[NH2+]C[C@H](O)COc1ccc(C#N)cc1 ZINC000388277831 558608616 /nfs/dbraw/zinc/60/86/16/558608616.db2.gz POTSAFAPRKJEEG-XLIONFOSSA-N 1 0 353.466 2.408 20 30 FEEDRO CCN(CCC#N)S(=O)(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000409593290 558706348 /nfs/dbraw/zinc/70/63/48/558706348.db2.gz BSZUFLIETASTNM-UHFFFAOYSA-N 1 0 352.504 2.097 20 30 FEEDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H](C)n1cnc(C#N)n1 ZINC000409757162 558718535 /nfs/dbraw/zinc/71/85/35/558718535.db2.gz DQFZWLDGAMBVIS-FUHWJXTLSA-N 1 0 366.469 2.081 20 30 FEEDRO CCN(C[C@H](C)C#N)S(=O)(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000410137713 558741331 /nfs/dbraw/zinc/74/13/31/558741331.db2.gz NYWWQJJXGIXGIJ-CVEARBPZSA-N 1 0 366.531 2.432 20 30 FEEDRO CCN(CCC#N)S(=O)(=O)NC[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000410160830 558743294 /nfs/dbraw/zinc/74/32/94/558743294.db2.gz GYFOMTWRESSETO-KRWDZBQOSA-N 1 0 356.536 2.101 20 30 FEEDRO C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)CCCC1(C#N)CCOCC1 ZINC000410317828 558751280 /nfs/dbraw/zinc/75/12/80/558751280.db2.gz SYMFRRQZKZIOFM-OAHLLOKOSA-N 1 0 365.499 2.427 20 30 FEEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000411199006 558852167 /nfs/dbraw/zinc/85/21/67/558852167.db2.gz YMARUKYLLRYAMW-QGZVFWFLSA-N 1 0 355.398 2.122 20 30 FEEDRO C[C@H]1CCCN1C(=O)CC[N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000525270807 562244592 /nfs/dbraw/zinc/24/45/92/562244592.db2.gz FIBKDQFCGBMPOA-SFHVURJKSA-N 1 0 354.498 2.467 20 30 FEEDRO C=C[C@@H]1CCCCN1C(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(F)c1 ZINC000411480551 558901936 /nfs/dbraw/zinc/90/19/36/558901936.db2.gz WCNBCCUNESJAOR-OAHLLOKOSA-N 1 0 363.433 2.272 20 30 FEEDRO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC[C@@](C(N)=O)(c2ccccc2)C1 ZINC000411966080 558996628 /nfs/dbraw/zinc/99/66/28/558996628.db2.gz LBVIHTBGLBMHCX-VFNWGFHPSA-N 1 0 362.433 2.014 20 30 FEEDRO N#Cc1cnc(NCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)c(F)c1 ZINC000413133079 559081485 /nfs/dbraw/zinc/08/14/85/559081485.db2.gz JPDJEADAYAPWAW-QGZVFWFLSA-N 1 0 367.428 2.402 20 30 FEEDRO CN(CCN1CC[NH+](Cc2ccccc2)CC1)c1ncc(C#N)cc1F ZINC000413284642 559095659 /nfs/dbraw/zinc/09/56/59/559095659.db2.gz VNXDHMVAMYKCEJ-UHFFFAOYSA-N 1 0 353.445 2.346 20 30 FEEDRO N#Cc1cnc(N2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)c(F)c1 ZINC000413286739 559095678 /nfs/dbraw/zinc/09/56/78/559095678.db2.gz ZQTFAZQMCUGMIA-LJQANCHMSA-N 1 0 365.456 2.489 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)C(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2 ZINC000414712512 559181619 /nfs/dbraw/zinc/18/16/19/559181619.db2.gz JCIJCMOMQPYKEL-AWEZNQCLSA-N 1 0 370.478 2.112 20 30 FEEDRO N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000414900729 559193970 /nfs/dbraw/zinc/19/39/70/559193970.db2.gz IPAZIISKHPIPTO-RBUKOAKNSA-N 1 0 362.433 2.382 20 30 FEEDRO C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H](C)CCCC[NH3+])cc1 ZINC000414902861 559194201 /nfs/dbraw/zinc/19/42/01/559194201.db2.gz YQICHHRPPIFOHG-AWEZNQCLSA-N 1 0 368.503 2.132 20 30 FEEDRO C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C23CCC[NH+]2CCC3)cc1 ZINC000414934338 559196034 /nfs/dbraw/zinc/19/60/34/559196034.db2.gz UKZJUXNKOQGFRF-UHFFFAOYSA-N 1 0 363.483 2.060 20 30 FEEDRO C[N@@H+]1CCC[C@@H](CNC(=O)NC2CCC(Oc3ncccc3C#N)CC2)C1 ZINC000527103178 562276527 /nfs/dbraw/zinc/27/65/27/562276527.db2.gz PUEROWNKTLIDSB-ZLPCBKJTSA-N 1 0 371.485 2.284 20 30 FEEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)NCCCN1CC[NH2+]CC1 ZINC000415170110 559211470 /nfs/dbraw/zinc/21/14/70/559211470.db2.gz WQKUOTXEQSPVBM-OAHLLOKOSA-N 1 0 361.515 2.498 20 30 FEEDRO N#Cc1ccc(CN(C(=O)C(=O)Nc2ccc3c(c2)C[NH2+]CC3)C2CC2)cc1 ZINC000415187591 559213146 /nfs/dbraw/zinc/21/31/46/559213146.db2.gz TVCLPZRLHIQQSS-UHFFFAOYSA-N 1 0 374.444 2.334 20 30 FEEDRO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)Nc2ccccc2SCCC#N)C1 ZINC000415275732 559220257 /nfs/dbraw/zinc/22/02/57/559220257.db2.gz BUXAVWPZASMSIQ-CQSZACIVSA-N 1 0 360.483 2.089 20 30 FEEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)NCC1([NH3+])CCCCCC1 ZINC000415309716 559222944 /nfs/dbraw/zinc/22/29/44/559222944.db2.gz AKBBSJUTNDTFIC-UHFFFAOYSA-N 1 0 372.469 2.452 20 30 FEEDRO N#Cc1ccc(NC(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])c(Cl)c1 ZINC000415310571 559223066 /nfs/dbraw/zinc/22/30/66/559223066.db2.gz PLAZIKHEBSZFHB-ZDUSSCGKSA-N 1 0 363.849 2.063 20 30 FEEDRO N#Cc1cc(NC(=O)C(=O)N2CCC[NH2+]CC2)ccc1Oc1ccccc1 ZINC000415312878 559223220 /nfs/dbraw/zinc/22/32/20/559223220.db2.gz UNOLDWQYZJDGLH-UHFFFAOYSA-N 1 0 364.405 2.111 20 30 FEEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000415327739 559224481 /nfs/dbraw/zinc/22/44/81/559224481.db2.gz LNQFXFOTVOODEI-HNNXBMFYSA-N 1 0 364.405 2.076 20 30 FEEDRO Cn1ncc(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)c1C#N ZINC000527250535 562282325 /nfs/dbraw/zinc/28/23/25/562282325.db2.gz MEFJEFMYPXLQOI-IEBWSBKVSA-N 1 0 363.465 2.418 20 30 FEEDRO C[NH2+][C@H]1CCCN(C(=O)C(=O)Nc2ccccc2SC[C@H](C)C#N)C1 ZINC000415380746 559229258 /nfs/dbraw/zinc/22/92/58/559229258.db2.gz SZLSBPXLSQNLFH-KGLIPLIRSA-N 1 0 360.483 2.087 20 30 FEEDRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)Nc2scc(C(C)(C)C)c2C#N)C1 ZINC000415427814 559235343 /nfs/dbraw/zinc/23/53/43/559235343.db2.gz CCTYGHHJYCTFKR-RYUDHWBXSA-N 1 0 362.499 2.442 20 30 FEEDRO CC[NH2+]CC1CCN(C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CC1 ZINC000415435110 559236476 /nfs/dbraw/zinc/23/64/76/559236476.db2.gz ASCHVNPADLJWCX-UHFFFAOYSA-N 1 0 370.432 2.736 20 30 FEEDRO C[C@H]1CCCN(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)[C@@H]1C[NH3+] ZINC000415438966 559237013 /nfs/dbraw/zinc/23/70/13/559237013.db2.gz CPZXAJAJKXVVKX-BLLLJJGKSA-N 1 0 372.860 2.988 20 30 FEEDRO C[C@@H]1CN(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)CC[C@H]1[NH3+] ZINC000415448419 559238282 /nfs/dbraw/zinc/23/82/82/559238282.db2.gz IDHGQLARTDLWAL-BXUZGUMPSA-N 1 0 358.833 2.598 20 30 FEEDRO C[C@H]1C[C@@H](NC(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)CC[NH2+]1 ZINC000415456514 559239100 /nfs/dbraw/zinc/23/91/00/559239100.db2.gz KQHKZLVAYMEULW-AAEUAGOBSA-N 1 0 358.833 2.659 20 30 FEEDRO N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)n1 ZINC000415460544 559239575 /nfs/dbraw/zinc/23/95/75/559239575.db2.gz NKAXVLMBDPWKJB-SWLSCSKDSA-N 1 0 372.860 3.036 20 30 FEEDRO C[C@@H]1CN(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)[C@@H](C)C[NH2+]1 ZINC000415465011 559240017 /nfs/dbraw/zinc/24/00/17/559240017.db2.gz SAUFEKHFXLUGTR-NEPJUHHUSA-N 1 0 358.833 2.611 20 30 FEEDRO C[C@@H]1CCN(C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)[C@@H](C[NH3+])C1 ZINC000415468335 559240475 /nfs/dbraw/zinc/24/04/75/559240475.db2.gz WEWRYDUTAAMTIX-TZMCWYRMSA-N 1 0 372.860 2.988 20 30 FEEDRO CC(C)(C)c1csc(NC(=O)C(=O)NCC2(C)CC[NH2+]CC2)c1C#N ZINC000415565139 559250361 /nfs/dbraw/zinc/25/03/61/559250361.db2.gz CZADXFOBZFIVCF-UHFFFAOYSA-N 1 0 362.499 2.362 20 30 FEEDRO N#Cc1ccc(Oc2ccc(NC(=O)C(=O)NCC3([NH3+])CCC3)cc2)cc1 ZINC000415569213 559250668 /nfs/dbraw/zinc/25/06/68/559250668.db2.gz WVMOQWCYKJVVLU-UHFFFAOYSA-N 1 0 364.405 2.287 20 30 FEEDRO O=C(Nc1ccccc1C#Cc1ccccc1)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000415601330 559254210 /nfs/dbraw/zinc/25/42/10/559254210.db2.gz KURMCOFDKSODGS-HSZRJFAPSA-N 1 0 373.456 2.237 20 30 FEEDRO C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N[C@@H](C[NH3+])C2CCCC2)cc1 ZINC000415602114 559254409 /nfs/dbraw/zinc/25/44/09/559254409.db2.gz RDQSKWWDGMNRIY-LRDDRELGSA-N 1 0 364.471 2.011 20 30 FEEDRO C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccccc2C#Cc2ccccc2)CC[NH2+]1 ZINC000415660807 559259248 /nfs/dbraw/zinc/25/92/48/559259248.db2.gz OCIRDZLMLIZASY-APWZRJJASA-N 1 0 361.445 2.282 20 30 FEEDRO CC(C)(C#N)c1ccc(NC(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)cc1 ZINC000415671186 559260308 /nfs/dbraw/zinc/26/03/08/559260308.db2.gz FZJMSYDOJWHKBK-INIZCTEOSA-N 1 0 356.470 2.321 20 30 FEEDRO N#CCCSc1ccccc1NC(=O)C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000415671698 559260414 /nfs/dbraw/zinc/26/04/14/559260414.db2.gz DFIFXGSJKXZBFU-AWEZNQCLSA-N 1 0 360.483 2.218 20 30 FEEDRO O=C(Nc1ccccc1C#Cc1ccccc1)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000415736861 559266175 /nfs/dbraw/zinc/26/61/75/559266175.db2.gz BZRNTKKMMRRIOP-WOJBJXKFSA-N 1 0 373.456 2.093 20 30 FEEDRO CC[C@@H]([NH3+])CNC(=O)C(=O)Nc1sc2c(c1C#N)CC[C@H](C(C)C)C2 ZINC000415777667 559270138 /nfs/dbraw/zinc/27/01/38/559270138.db2.gz DHYJPQUEEZZCQD-NWDGAFQWSA-N 1 0 362.499 2.173 20 30 FEEDRO CC[C@H]([NH3+])CNC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C ZINC000415785968 559270932 /nfs/dbraw/zinc/27/09/32/559270932.db2.gz LHQVNQAXWOXCHT-HNNXBMFYSA-N 1 0 366.421 2.451 20 30 FEEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000415795630 559271772 /nfs/dbraw/zinc/27/17/72/559271772.db2.gz WMUIMZCBQXFWDN-KBPBESRZSA-N 1 0 366.421 2.449 20 30 FEEDRO N#Cc1ccc(NC(=O)C(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)cc1C(F)(F)F ZINC000415811699 559273860 /nfs/dbraw/zinc/27/38/60/559273860.db2.gz PAWNRFSQCILBPY-PWSUYJOCSA-N 1 0 368.359 2.149 20 30 FEEDRO C[C@@H]1CCN(C(=O)C(=O)Nc2sc(C(C)(C)C)cc2C#N)C[C@H]1C[NH3+] ZINC000415852297 559278688 /nfs/dbraw/zinc/27/86/88/559278688.db2.gz QMZKFVZLURTIJQ-DGCLKSJQSA-N 1 0 362.499 2.299 20 30 FEEDRO C[NH2+]Cc1cccc(NC(=O)N2CCN(c3cc(C#N)ccn3)CC2)c1 ZINC000415926205 559282885 /nfs/dbraw/zinc/28/28/85/559282885.db2.gz CTNZVJHZEJBGFS-UHFFFAOYSA-N 1 0 350.426 2.027 20 30 FEEDRO C[NH+](C)[C@H](CC(=O)N1CCN(c2cccc(C#N)n2)CC1)c1ccccc1 ZINC000416207557 559298317 /nfs/dbraw/zinc/29/83/17/559298317.db2.gz WFXATAUXQBVYGN-LJQANCHMSA-N 1 0 363.465 2.295 20 30 FEEDRO CCN(CCC#N)S(=O)(=O)NCc1ccc2c(c1)nc(C)n2C1CC1 ZINC000416479467 559316366 /nfs/dbraw/zinc/31/63/66/559316366.db2.gz JTYBZAUDCJLHIS-UHFFFAOYSA-N 1 0 361.471 2.250 20 30 FEEDRO O=C(NCC#Cc1cccc(C(F)(F)F)c1)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000416942158 559339548 /nfs/dbraw/zinc/33/95/48/559339548.db2.gz JAMJRCKDJFVEMF-GJZGRUSLSA-N 1 0 351.372 2.308 20 30 FEEDRO C[C@@H]([NH3+])C1CCN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)CC1 ZINC000417572744 559367295 /nfs/dbraw/zinc/36/72/95/559367295.db2.gz GLQXFLUCOSYZTD-RHSMWYFYSA-N 1 0 373.476 2.435 20 30 FEEDRO CC1(CNC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)CC[NH2+]CC1 ZINC000417575784 559367302 /nfs/dbraw/zinc/36/73/02/559367302.db2.gz JUEPSQBESMFHGA-MRXNPFEDSA-N 1 0 373.476 2.355 20 30 FEEDRO C[C@@H]1C[C@@H](NC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)CC[NH2+]1 ZINC000417582831 559367780 /nfs/dbraw/zinc/36/77/80/559367780.db2.gz VWCYFEAWQMIOIY-VNQPRFMTSA-N 1 0 359.449 2.106 20 30 FEEDRO C=C(C)[C@@H](NC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1)c1ccc(F)c(F)c1 ZINC000418030380 559387204 /nfs/dbraw/zinc/38/72/04/559387204.db2.gz MLNVQFJWUOCQAT-MAUKXSAKSA-N 1 0 364.440 2.271 20 30 FEEDRO N#Cc1c(F)cccc1N1CCN(C(=O)NC[C@H]([NH3+])c2ccccc2)CC1 ZINC000418441983 559401716 /nfs/dbraw/zinc/40/17/16/559401716.db2.gz DBGGDDFFYJTFRT-SFHVURJKSA-N 1 0 367.428 2.229 20 30 FEEDRO C[C@H]([NH3+])c1ccc(CNC(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1 ZINC000418460368 559402679 /nfs/dbraw/zinc/40/26/79/559402679.db2.gz JWUFNXXYJYGPGG-KSSFIOAISA-N 1 0 365.437 2.336 20 30 FEEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@]1(COC)CCC[NH2+]1 ZINC000418628198 559408579 /nfs/dbraw/zinc/40/85/79/559408579.db2.gz ARYQWGHCJDGUSI-SFHVURJKSA-N 1 0 362.430 2.061 20 30 FEEDRO C=CCCCCCN(C)C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000418671178 559410698 /nfs/dbraw/zinc/41/06/98/559410698.db2.gz SDJVOXLJAOKEST-AEFFLSMTSA-N 1 0 350.507 2.021 20 30 FEEDRO N#Cc1c(F)cccc1N1CCN(C(=O)NCCC[C@H]2CCC[NH2+]2)CC1 ZINC000418770414 559415132 /nfs/dbraw/zinc/41/51/32/559415132.db2.gz OIMDCQRSDCGYIX-OAHLLOKOSA-N 1 0 359.449 2.061 20 30 FEEDRO CC(C)c1ccc([C@H]([NH3+])CNC(=O)C(=O)NCC2CCC(C#N)CC2)cc1 ZINC000418893813 559421227 /nfs/dbraw/zinc/42/12/27/559421227.db2.gz QCGADLJAKUCRQE-LADRWXRNSA-N 1 0 370.497 2.372 20 30 FEEDRO C=CCNC(=O)[C@H](C)[NH2+][C@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1 ZINC000419241344 559433854 /nfs/dbraw/zinc/43/38/54/559433854.db2.gz BXIOLFAAILMMFB-JSGCOSHPSA-N 1 0 360.408 2.423 20 30 FEEDRO C[C@@H]1[C@@H](C)[C@H](C)C[N@@H+]1CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 ZINC000419382948 559440321 /nfs/dbraw/zinc/44/03/21/559440321.db2.gz ZMSXDGOEJRPPET-YYIAUSFCSA-N 1 0 360.527 2.433 20 30 FEEDRO C[C@H]1CCN(S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)C[C@@H]1C[NH3+] ZINC000420480784 559489809 /nfs/dbraw/zinc/48/98/09/559489809.db2.gz PKWWGZJTOXJEIE-JQWIXIFHSA-N 1 0 361.389 2.182 20 30 FEEDRO CNC(=O)[C@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000420967481 559515140 /nfs/dbraw/zinc/51/51/40/559515140.db2.gz ABNHQEULDAGURY-ZDUSSCGKSA-N 1 0 374.510 2.285 20 30 FEEDRO COC1([C@H](C)[NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCOCC1 ZINC000421037612 559521280 /nfs/dbraw/zinc/52/12/80/559521280.db2.gz SAYONSFACRYDNT-YJBOKZPZSA-N 1 0 357.454 2.227 20 30 FEEDRO CC(C)(CC#N)CNC(=O)C(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000422294092 559576287 /nfs/dbraw/zinc/57/62/87/559576287.db2.gz BISZLSVLZAUMES-OAQYLSRUSA-N 1 0 370.497 2.213 20 30 FEEDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)NCC(C)(C)CC#N)C1 ZINC000422309035 559577609 /nfs/dbraw/zinc/57/76/09/559577609.db2.gz KMJUMWQDRGJAAA-OAHLLOKOSA-N 1 0 350.507 2.059 20 30 FEEDRO CCN(C(=O)C(=O)NCC(C)(C)CC#N)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000422473748 559590537 /nfs/dbraw/zinc/59/05/37/559590537.db2.gz CMKQBHSITLUXBR-SFHVURJKSA-N 1 0 370.497 2.165 20 30 FEEDRO C[C@@H](C(=O)NC1(C#N)CCC1)N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000527299133 562284214 /nfs/dbraw/zinc/28/42/14/562284214.db2.gz XUKGIYLPPYGEHG-STQMWFEESA-N 1 0 369.391 2.490 20 30 FEEDRO C=CCN(Cc1ccccc1F)C(=O)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000423188250 559622429 /nfs/dbraw/zinc/62/24/29/559622429.db2.gz PWVHKHFOGPLLGE-UHFFFAOYSA-N 1 0 373.472 2.331 20 30 FEEDRO C=CCN(CCc1ccccc1)C(=O)C(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000423188536 559622463 /nfs/dbraw/zinc/62/24/63/559622463.db2.gz NYTLBZSRRNFDFZ-VQTJNVASSA-N 1 0 369.509 2.092 20 30 FEEDRO C[C@H](C(=O)Nc1cccc(NC(=O)[C@@H]([NH3+])CCCC#N)c1)n1cccn1 ZINC000424106260 559654976 /nfs/dbraw/zinc/65/49/76/559654976.db2.gz XHXKQLGPUDUELA-CJNGLKHVSA-N 1 0 354.414 2.042 20 30 FEEDRO N#CCCC[C@@H]([NH3+])C(=O)NC1CCN(c2nc3ccccc3s2)CC1 ZINC000424107320 559655000 /nfs/dbraw/zinc/65/50/00/559655000.db2.gz NXJCYWHJRJMPBJ-CQSZACIVSA-N 1 0 357.483 2.402 20 30 FEEDRO COc1cc(Cl)c(C)cc1NC(=O)CCNC(=O)[C@@H]([NH3+])CCCC#N ZINC000424123011 559655558 /nfs/dbraw/zinc/65/55/58/559655558.db2.gz LDBVQGODNXKVPQ-ZDUSSCGKSA-N 1 0 366.849 2.123 20 30 FEEDRO N#CCCC[C@H]([NH3+])C(=O)Nc1ccc(OCc2noc(C3CC3)n2)cc1 ZINC000424142331 559656004 /nfs/dbraw/zinc/65/60/04/559656004.db2.gz PKNXTZSPFZNWRT-HNNXBMFYSA-N 1 0 355.398 2.486 20 30 FEEDRO C[C@H](c1ccc(F)cc1F)N1CCN(C(=O)[C@H]([NH3+])CCCC#N)CC1 ZINC000424153177 559656246 /nfs/dbraw/zinc/65/62/46/559656246.db2.gz JREPQZVMFNJLAH-CXAGYDPISA-N 1 0 350.413 2.191 20 30 FEEDRO N#CCCC[C@@H]([NH3+])C(=O)Nc1ccc2c(c1)CCC(=O)N2CC(F)(F)F ZINC000424177782 559656745 /nfs/dbraw/zinc/65/67/45/559656745.db2.gz VFBZJWZSWBSNMC-CYBMUJFWSA-N 1 0 368.359 2.488 20 30 FEEDRO N#CCCC[C@@H]([NH3+])C(=O)N1CCOc2ccc(Br)cc2C1 ZINC000424189557 559657050 /nfs/dbraw/zinc/65/70/50/559657050.db2.gz NQNRRZDVIYVNGE-CYBMUJFWSA-N 1 0 352.232 2.191 20 30 FEEDRO Cc1cc(C[NH3+])cc(NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)c1 ZINC000424447170 559665527 /nfs/dbraw/zinc/66/55/27/559665527.db2.gz UNJPPTYVGVSKSQ-UHFFFAOYSA-N 1 0 350.426 2.075 20 30 FEEDRO C=CCC1(C(=O)N2CCC(CC[NH+]3CCOCC3)CC2)CCOCC1 ZINC000424630132 559671723 /nfs/dbraw/zinc/67/17/23/559671723.db2.gz SFQXWQBYHZLABM-UHFFFAOYSA-N 1 0 350.503 2.320 20 30 FEEDRO C=CCC1(C(=O)N(C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CCOCC1 ZINC000424790783 559676710 /nfs/dbraw/zinc/67/67/10/559676710.db2.gz LCYIHUBIRNCALW-JOCHJYFZSA-N 1 0 372.509 2.455 20 30 FEEDRO COc1ccc(C[NH+]2CCC3(CNC(=O)N3C)CC2)cc1OCCCC#N ZINC000425374789 559698702 /nfs/dbraw/zinc/69/87/02/559698702.db2.gz SKZLMMYDGWGJKT-UHFFFAOYSA-N 1 0 372.469 2.367 20 30 FEEDRO C=CCn1cc(CNC(=O)NCc2ccccc2C[NH+](CC)CC)nn1 ZINC000425404438 559700493 /nfs/dbraw/zinc/70/04/93/559700493.db2.gz WGEJAUBBAHBZMA-UHFFFAOYSA-N 1 0 356.474 2.305 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000425439679 559702394 /nfs/dbraw/zinc/70/23/94/559702394.db2.gz FMBQBQLWQARKAJ-UFYCRDLUSA-N 1 0 357.498 2.441 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000425448277 559702807 /nfs/dbraw/zinc/70/28/07/559702807.db2.gz RKMXOBAZAMTEIF-HKUYNNGSSA-N 1 0 361.486 2.407 20 30 FEEDRO COCC(C)(C)[NH+]1CCN([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000425502521 559706334 /nfs/dbraw/zinc/70/63/34/559706334.db2.gz HEMACLSBHNVRDH-IBGZPJMESA-N 1 0 370.497 2.096 20 30 FEEDRO C=CCn1cc(CNC(=O)NC[C@H](c2ccc(SC)cc2)[NH+](C)C)nn1 ZINC000425765570 559718408 /nfs/dbraw/zinc/71/84/08/559718408.db2.gz HVFOSGBRWRKULO-QGZVFWFLSA-N 1 0 374.514 2.288 20 30 FEEDRO C[C@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000425860755 559723077 /nfs/dbraw/zinc/72/30/77/559723077.db2.gz HQLVBTMLCUWMPE-QGZVFWFLSA-N 1 0 370.497 2.316 20 30 FEEDRO C=CCn1cc(CNC(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)cc2)nn1 ZINC000425880852 559723909 /nfs/dbraw/zinc/72/39/09/559723909.db2.gz SJRCAHVUPNXYBO-INIZCTEOSA-N 1 0 362.865 2.220 20 30 FEEDRO C=CCN(CC=C)C(=O)[C@@H](C)N(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425995179 559727211 /nfs/dbraw/zinc/72/72/11/559727211.db2.gz TVVOZFJCHZORFE-KNQAVFIVSA-N 1 0 371.525 2.144 20 30 FEEDRO C=CCC[C@H](C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1)c1ccccc1 ZINC000427121868 559748454 /nfs/dbraw/zinc/74/84/54/559748454.db2.gz MNRZIKXCTCPIDR-OALUTQOASA-N 1 0 357.498 2.440 20 30 FEEDRO C=C[C@@H]1CCCCN1C(=O)C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1 ZINC000427707999 559760631 /nfs/dbraw/zinc/76/06/31/559760631.db2.gz VDCKEZIHDXDLNE-QGZVFWFLSA-N 1 0 372.469 2.082 20 30 FEEDRO C[NH+]1CCN(c2ccc(NC(=O)c3ncc(C#N)cc3Cl)cn2)CC1 ZINC000427919282 559765267 /nfs/dbraw/zinc/76/52/67/559765267.db2.gz ZAIMTVJHDZZNFW-UHFFFAOYSA-N 1 0 356.817 2.006 20 30 FEEDRO C=CCOc1cccnc1C(=O)Nc1cccc(C[N@H+]2CC[C@@H](O)C2)c1 ZINC000428828824 559784312 /nfs/dbraw/zinc/78/43/12/559784312.db2.gz XVMYEGIIUJWAIG-QGZVFWFLSA-N 1 0 353.422 2.465 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@H]1CC(=O)N(C(C)(C)C)C1)C(C)C ZINC000428908827 559785689 /nfs/dbraw/zinc/78/56/89/559785689.db2.gz VKSUWEWBOAYVDO-DLBZAZTESA-N 1 0 364.534 2.384 20 30 FEEDRO C[N@H+](CCCNC(=O)C1CCC1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000429545694 559800840 /nfs/dbraw/zinc/80/08/40/559800840.db2.gz FPCAQFUJKNSHNL-IBGZPJMESA-N 1 0 368.481 2.292 20 30 FEEDRO CCOC(=O)c1ncn(C2CC[NH+](CC#Cc3ccc(F)cc3)CC2)c1N ZINC000429724165 559804554 /nfs/dbraw/zinc/80/45/54/559804554.db2.gz MJKJROISVIRTPU-UHFFFAOYSA-N 1 0 370.428 2.470 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](CC(=O)NC)c2ccccc2)CC1 ZINC000430572474 559823116 /nfs/dbraw/zinc/82/31/16/559823116.db2.gz OKOZOMPFCJQQJF-SFHVURJKSA-N 1 0 358.486 2.204 20 30 FEEDRO Cc1c([C@H]2OCC[C@@H]2[NH2+]CC(=O)N(CCC#N)c2ccccc2)cnn1C ZINC000431961332 559849400 /nfs/dbraw/zinc/84/94/00/559849400.db2.gz UQOVZZKGHQUEJS-AZUAARDMSA-N 1 0 367.453 2.095 20 30 FEEDRO N#CCCC[C@@H]([NH2+]CC(=O)NC(=O)NCC(F)(F)F)c1ccccc1 ZINC000433018518 559870038 /nfs/dbraw/zinc/87/00/38/559870038.db2.gz DTYPQOIJUUBILE-CYBMUJFWSA-N 1 0 356.348 2.399 20 30 FEEDRO N#C[C@@H](CCc1ccccc1)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000433341544 559877358 /nfs/dbraw/zinc/87/73/58/559877358.db2.gz IHMLVTYCMJGWGC-RTBURBONSA-N 1 0 355.482 2.376 20 30 FEEDRO C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)CNc2cccc(C#N)c2)C1 ZINC000434465947 559901169 /nfs/dbraw/zinc/90/11/69/559901169.db2.gz CJTKFQRKOBMQQP-IBGZPJMESA-N 1 0 363.465 2.346 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)Nc2cc(S(C)(=O)=O)cc(C)c2C)CC1 ZINC000435085230 559915900 /nfs/dbraw/zinc/91/59/00/559915900.db2.gz HLMPEDQUBDIROM-UHFFFAOYSA-N 1 0 365.499 2.479 20 30 FEEDRO CC(=O)NCC1CC[NH+](Cc2cn(CCC#N)nc2-c2ccncc2)CC1 ZINC000435127685 559916745 /nfs/dbraw/zinc/91/67/45/559916745.db2.gz XYZBUEYCHRZXJV-UHFFFAOYSA-N 1 0 366.469 2.207 20 30 FEEDRO C[NH+](C)CCOc1cccc(CNS(=O)(=O)c2ccc(C#N)s2)c1 ZINC000435431391 559922868 /nfs/dbraw/zinc/92/28/68/559922868.db2.gz CWVRUOFTLQJSTD-UHFFFAOYSA-N 1 0 365.480 2.039 20 30 FEEDRO COC(=O)[C@H]1CC[C@H](C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)CC1 ZINC000435683313 559927938 /nfs/dbraw/zinc/92/79/38/559927938.db2.gz QCKYGWALAVVECS-WGSAOQKQSA-N 1 0 371.481 2.428 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1C[C@@H](C)O[C@H](COC)C1)C(C)C ZINC000439699981 559999063 /nfs/dbraw/zinc/99/90/63/559999063.db2.gz QVIVCHADKQWOFM-FGTMMUONSA-N 1 0 353.507 2.130 20 30 FEEDRO CCC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)Cc2ccc(C#N)cc2F)C1 ZINC000440056978 560003951 /nfs/dbraw/zinc/00/39/51/560003951.db2.gz VILHASKSROROSQ-HNNXBMFYSA-N 1 0 353.463 2.191 20 30 FEEDRO CCC(CC)[C@H](CNS(=O)(=O)Cc1cc(C#N)ccc1F)[NH+](C)C ZINC000440085884 560004490 /nfs/dbraw/zinc/00/44/90/560004490.db2.gz DKIOHZOGVADGDV-KRWDZBQOSA-N 1 0 355.479 2.483 20 30 FEEDRO N#Cc1cc(Br)cc(S(=O)(=O)N2CCC[C@H](CC[NH3+])C2)c1 ZINC000440830800 560019160 /nfs/dbraw/zinc/01/91/60/560019160.db2.gz YFDMAZAETJPISB-LLVKDONJSA-N 1 0 372.288 2.070 20 30 FEEDRO CCN1C[C@@H](C)N(C(=O)C(=O)Nc2cc(C#N)ccc2OC(C)C)C[C@H]1C ZINC000441090058 560023347 /nfs/dbraw/zinc/02/33/47/560023347.db2.gz CAWPVIZPTATDBT-HUUCEWRRSA-N 1 0 372.469 2.225 20 30 FEEDRO CCOC(=O)c1n[nH]c(C2CC[NH+](Cc3ccc(CC#N)cc3)CC2)n1 ZINC000444808485 560121504 /nfs/dbraw/zinc/12/15/04/560121504.db2.gz RYWZVCQSLJHHLX-UHFFFAOYSA-N 1 0 353.426 2.427 20 30 FEEDRO COC1CC[NH+](C(C)(C)CNC(=O)c2c(F)cc(C#N)cc2F)CC1 ZINC000446050911 560138631 /nfs/dbraw/zinc/13/86/31/560138631.db2.gz GOJXLKUFXBMQPH-UHFFFAOYSA-N 1 0 351.397 2.456 20 30 FEEDRO CC1(C)CCC[N@H+](CCNC(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)C1 ZINC000447424394 560161863 /nfs/dbraw/zinc/16/18/63/560161863.db2.gz WVPLXVOIPDOVQM-UHFFFAOYSA-N 1 0 362.861 2.388 20 30 FEEDRO C[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 ZINC000448885521 560204917 /nfs/dbraw/zinc/20/49/17/560204917.db2.gz XARLXQBQRDSSFY-GDBMZVCRSA-N 1 0 374.872 2.117 20 30 FEEDRO CCC[NH+]1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1 ZINC000448893406 560205057 /nfs/dbraw/zinc/20/50/57/560205057.db2.gz CRUSRLNCVRPUSY-HNNXBMFYSA-N 1 0 374.872 2.119 20 30 FEEDRO CN(CC[NH+]1CCCC1)C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 ZINC000448903801 560205792 /nfs/dbraw/zinc/20/57/92/560205792.db2.gz JUUNQTZLPJWHJA-OAHLLOKOSA-N 1 0 374.872 2.119 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc2n(n1)CCCC2 ZINC000449751956 560239001 /nfs/dbraw/zinc/23/90/01/560239001.db2.gz DNQFZGILFVNNJI-UHFFFAOYSA-N 1 0 351.454 2.295 20 30 FEEDRO CC(C)(C)[NH2+]CCNC(=O)COc1cccc(Br)c1C#N ZINC000449909739 560245058 /nfs/dbraw/zinc/24/50/58/560245058.db2.gz CDOJLFZQXUMVFO-UHFFFAOYSA-N 1 0 354.248 2.204 20 30 FEEDRO C[C@H]1CN([C@H](CNC(=O)c2ccc(C#N)n2C)c2cccs2)CCO1 ZINC000450047884 560249115 /nfs/dbraw/zinc/24/91/15/560249115.db2.gz WFIICELPYCKVHB-XJKSGUPXSA-N 1 0 358.467 2.150 20 30 FEEDRO C[C@H](c1ccccc1)[C@H](O)C[N@@H+]1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000450480657 560263603 /nfs/dbraw/zinc/26/36/03/560263603.db2.gz BWQLYKFMWIDODR-FRQCXROJSA-N 1 0 351.454 2.023 20 30 FEEDRO CN1CCN(S(=O)(=O)c2ccc(CC#N)cc2Cl)c2c[nH+]ccc21 ZINC000450981000 560280998 /nfs/dbraw/zinc/28/09/98/560280998.db2.gz WDMPKDZJLIPGDQ-UHFFFAOYSA-N 1 0 362.842 2.446 20 30 FEEDRO CCN(CCC#N)C(=O)C[NH2+][C@@H](CCO)c1cccc(C(F)(F)F)c1 ZINC000451304697 560299205 /nfs/dbraw/zinc/29/92/05/560299205.db2.gz IZLRMKQDVSXMCJ-HNNXBMFYSA-N 1 0 357.376 2.481 20 30 FEEDRO N#Cc1c(Br)cccc1OCC(=O)NCC[N@H+]1CC=CCC1 ZINC000451343963 560301527 /nfs/dbraw/zinc/30/15/27/560301527.db2.gz APYSIDXLGJPSQP-UHFFFAOYSA-N 1 0 364.243 2.078 20 30 FEEDRO CCC(CC)[C@H](CNS(=O)(=O)Cc1ccc(F)cc1C#N)[NH+](C)C ZINC000451432951 560306848 /nfs/dbraw/zinc/30/68/48/560306848.db2.gz QMANFJSPHDPKTF-KRWDZBQOSA-N 1 0 355.479 2.483 20 30 FEEDRO COc1cccc(CN(CC[NH+](C)C)S(=O)(=O)CC(C)(C)CC#N)c1 ZINC000451459931 560308319 /nfs/dbraw/zinc/30/83/19/560308319.db2.gz ONIUUVWKGQPLFQ-UHFFFAOYSA-N 1 0 367.515 2.328 20 30 FEEDRO CC(=O)N1CCC[N@H+](C[C@@H]2CCCN(CC#Cc3ccccc3)C2)CC1 ZINC000451529816 560312442 /nfs/dbraw/zinc/31/24/42/560312442.db2.gz OBQPMNKWVJADIN-JOCHJYFZSA-N 1 0 353.510 2.304 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]CC(=O)N(C)Cc1ccccc1Br ZINC000451598340 560316750 /nfs/dbraw/zinc/31/67/50/560316750.db2.gz KFVFHICDDGYCEC-CABCVRRESA-N 1 0 353.260 2.341 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]CC(=O)NCc1cccc(OCC(F)(F)F)c1 ZINC000451601894 560316921 /nfs/dbraw/zinc/31/69/21/560316921.db2.gz CEGUEFQENONKPQ-CABCVRRESA-N 1 0 358.360 2.177 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]CC(=O)NCc1c(C)nn(-c2ccccc2)c1C ZINC000451685955 560321890 /nfs/dbraw/zinc/32/18/90/560321890.db2.gz YTDUUKDTQMRUBT-UXHICEINSA-N 1 0 368.481 2.429 20 30 FEEDRO CCO[C@@H]1COC[C@H]1[NH2+][C@@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000451941201 560339558 /nfs/dbraw/zinc/33/95/58/560339558.db2.gz XGGDTEGCQNLVAO-QXAKKESOSA-N 1 0 359.470 2.332 20 30 FEEDRO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1C[C@H](C(=O)OC)[C@@H](c2ccccc2)C1 ZINC000451996045 560343819 /nfs/dbraw/zinc/34/38/19/560343819.db2.gz PBYPZIIMWGKZII-UHOSZYNNSA-N 1 0 356.466 2.464 20 30 FEEDRO C=CCn1c([C@H](C)OCCOC)nnc1N(C)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000453455665 560387125 /nfs/dbraw/zinc/38/71/25/560387125.db2.gz XQBSLVJNYYCZHC-JKSUJKDBSA-N 1 0 351.495 2.107 20 30 FEEDRO Cc1ccc([C@@H](CNC(=O)C(=O)Nc2cccc(CC#N)c2)[NH+](C)C)cc1 ZINC000453646553 560393128 /nfs/dbraw/zinc/39/31/28/560393128.db2.gz ZNZDHPRYCUPCTD-LJQANCHMSA-N 1 0 364.449 2.419 20 30 FEEDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(CC#N)cc2Cl)C1 ZINC000453672562 560395491 /nfs/dbraw/zinc/39/54/91/560395491.db2.gz NVUNBTVGQILDJP-ZIAGYGMSSA-N 1 0 362.861 2.334 20 30 FEEDRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)C(=O)Nc1cccc(CC#N)c1 ZINC000453700005 560397757 /nfs/dbraw/zinc/39/77/57/560397757.db2.gz QTHYTPWSRNWMBH-MRXNPFEDSA-N 1 0 364.449 2.328 20 30 FEEDRO CC(C)(Cc1ccc(C#N)cc1)C(=O)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000454393161 560442785 /nfs/dbraw/zinc/44/27/85/560442785.db2.gz WWKRGUVOEJMKIZ-UHFFFAOYSA-N 1 0 368.525 2.367 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1NC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000455432563 560482074 /nfs/dbraw/zinc/48/20/74/560482074.db2.gz YUFDACRGUAMVGT-WCIQWLHISA-N 1 0 355.482 2.493 20 30 FEEDRO CC[C@H]1CN(C(=O)C(C)(C)Cc2ccc(C#N)cc2)CC[N@@H+]1C[C@@H](C)O ZINC000455777461 560494587 /nfs/dbraw/zinc/49/45/87/560494587.db2.gz CVLRYUJROBMZRP-APWZRJJASA-N 1 0 357.498 2.431 20 30 FEEDRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)C(C)(C)Cc1ccc(C#N)cc1 ZINC000456068886 560506012 /nfs/dbraw/zinc/50/60/12/560506012.db2.gz PDWPUWDPANMRPS-QGZVFWFLSA-N 1 0 356.514 2.269 20 30 FEEDRO C=CCC[C@H](CO)NC(=O)c1cnn(CC[NH+](C)C)c1-c1ccccc1 ZINC000456767285 560532366 /nfs/dbraw/zinc/53/23/66/560532366.db2.gz MOASYKKEUJFKPK-QGZVFWFLSA-N 1 0 356.470 2.169 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N2CC[C@](C)(C(=O)OC(C)(C)C)C2)CC1 ZINC000458346141 560615974 /nfs/dbraw/zinc/61/59/74/560615974.db2.gz VWOMNQFXBGODDA-IBGZPJMESA-N 1 0 351.491 2.400 20 30 FEEDRO C=CC[C@H](CO)CNC(=O)NC[C@H](c1ccc(SC)cc1)[NH+](C)C ZINC000458878923 560653627 /nfs/dbraw/zinc/65/36/27/560653627.db2.gz BULUXJIBPGSLNL-WMLDXEAASA-N 1 0 351.516 2.495 20 30 FEEDRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)N[C@H]2CC[C@@H](CC#N)C2)CC1 ZINC000459004515 560661279 /nfs/dbraw/zinc/66/12/79/560661279.db2.gz GQFWJZMSUXUVTL-VJANTYMQSA-N 1 0 361.534 2.269 20 30 FEEDRO C=C(C)CCNC(=O)N1CCC(C(=O)NCCC[NH+](CC)CC)CC1 ZINC000459027786 560662390 /nfs/dbraw/zinc/66/23/90/560662390.db2.gz SHMQJRBDZMWMBE-UHFFFAOYSA-N 1 0 352.523 2.222 20 30 FEEDRO C[C@H]1CN(Cc2c(C#N)cccc2[N+](=O)[O-])CCN1C1CC[NH+](C)CC1 ZINC000459376168 560683232 /nfs/dbraw/zinc/68/32/32/560683232.db2.gz QZDMPTPHUJDQIJ-HNNXBMFYSA-N 1 0 357.458 2.067 20 30 FEEDRO C=CCc1ccc(OC[C@H](O)C[N@@H+](C)C2CCN(OC)CC2)c(OC)c1 ZINC000459593427 560696537 /nfs/dbraw/zinc/69/65/37/560696537.db2.gz WSZPOXWYQSIREA-GOSISDBHSA-N 1 0 364.486 2.121 20 30 FEEDRO Cc1cn(-c2ccc(C#N)cn2)nc1NCc1cn(-c2cc[nH+]cc2)nc1C ZINC000461437739 560771484 /nfs/dbraw/zinc/77/14/84/560771484.db2.gz JAWCQNUYUCANEM-UHFFFAOYSA-N 1 0 370.420 2.949 20 30 FEEDRO C[C@@H]([NH2+]C1CCN(C(=O)C2CC2)CC1)C(=O)N(CCC#N)c1ccccc1 ZINC000461619901 560777026 /nfs/dbraw/zinc/77/70/26/560777026.db2.gz MXXRRBAHHPXOOL-MRXNPFEDSA-N 1 0 368.481 2.312 20 30 FEEDRO CC(=O)N1CCC([NH2+][C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)CC1 ZINC000461617522 560777129 /nfs/dbraw/zinc/77/71/29/560777129.db2.gz GVJMRMBWZSENPK-CQSZACIVSA-N 1 0 360.433 2.061 20 30 FEEDRO CC[NH+]1CCN(Cc2ccc(CNC(=O)N[C@H]3CCC[C@@H]3C#N)cc2)CC1 ZINC000461943025 560789070 /nfs/dbraw/zinc/78/90/70/560789070.db2.gz VNDIKJHULVAGLX-UXHICEINSA-N 1 0 369.513 2.316 20 30 FEEDRO CN1CC[N@H+](CCCNC(=O)N[C@@H]2CCC[C@H]2C#N)[C@@H](c2ccccc2)C1 ZINC000461961464 560789854 /nfs/dbraw/zinc/78/98/54/560789854.db2.gz VASUFVRJIHYORT-XUVXKRRUSA-N 1 0 369.513 2.357 20 30 FEEDRO COCC[NH+](CCOC)C1CCN(C(=O)[C@@H](C)c2cccc(C#N)c2)CC1 ZINC000462465432 560811152 /nfs/dbraw/zinc/81/11/52/560811152.db2.gz NQSOSECTDXSISL-KRWDZBQOSA-N 1 0 373.497 2.248 20 30 FEEDRO C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C(=O)N(CCC)CC(F)(F)F)C1 ZINC000464742256 560849862 /nfs/dbraw/zinc/84/98/62/560849862.db2.gz SHPPYHHUGDKNSL-ZIAGYGMSSA-N 1 0 363.424 2.190 20 30 FEEDRO C[C@@H](C(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1)n1cnc(C#N)n1 ZINC000467006106 560901323 /nfs/dbraw/zinc/90/13/23/560901323.db2.gz NFIHKWXLXLYGHQ-INIZCTEOSA-N 1 0 366.469 2.259 20 30 FEEDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)c1ccc(-n2ncc(C#N)c2N)cc1 ZINC000468478416 560930936 /nfs/dbraw/zinc/93/09/36/560930936.db2.gz BSJHFMBINNKWBG-QGZVFWFLSA-N 1 0 366.469 2.176 20 30 FEEDRO COc1ccc(C2(C[NH2+][C@H](C)C(=O)NC3(C#N)CCC3)CCOCC2)cc1 ZINC000468813525 560939370 /nfs/dbraw/zinc/93/93/70/560939370.db2.gz CBXISSSOCJLOHF-MRXNPFEDSA-N 1 0 371.481 2.284 20 30 FEEDRO COc1cc([C@@H](C)[NH2+][C@H](C)C(=O)NC2(C#N)CCC2)cc(OC)c1OC ZINC000469303624 560952038 /nfs/dbraw/zinc/95/20/38/560952038.db2.gz HISIQUQFMRULBT-CHWSQXEVSA-N 1 0 361.442 2.314 20 30 FEEDRO CC[N@H+](CCO)CCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 ZINC000472442254 561026505 /nfs/dbraw/zinc/02/65/05/561026505.db2.gz KOVWRKDSRSIFFE-UHFFFAOYSA-N 1 0 358.442 2.261 20 30 FEEDRO C=CCCCCNC(=O)N1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000474088488 561065269 /nfs/dbraw/zinc/06/52/69/561065269.db2.gz NRYUEKAECVCUFT-UHFFFAOYSA-N 1 0 366.550 2.468 20 30 FEEDRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C[C@@H](CC#N)c1ccccc1 ZINC000475530828 561099477 /nfs/dbraw/zinc/09/94/77/561099477.db2.gz OTSRPZPVPVBNHD-RTBURBONSA-N 1 0 370.497 2.133 20 30 FEEDRO CN(C)CC[NH+]1CCC(CNC(=O)C[C@@H](CC#N)c2ccccc2)CC1 ZINC000476029740 561109829 /nfs/dbraw/zinc/10/98/29/561109829.db2.gz GUVSXEUTCGDEIO-HXUWFJFHSA-N 1 0 356.514 2.464 20 30 FEEDRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)COc2cccnc2C#N)CC1 ZINC000477056169 561135517 /nfs/dbraw/zinc/13/55/17/561135517.db2.gz JQLKKPMTGBADNX-UHFFFAOYSA-N 1 0 364.449 2.375 20 30 FEEDRO CC(C)(C)C(=O)NC[C@@H]1CCC[N@H+](C[C@H](O)COc2ccccc2C#N)C1 ZINC000528381002 562325881 /nfs/dbraw/zinc/32/58/81/562325881.db2.gz LBWKBAFRWZRFKL-WMZOPIPTSA-N 1 0 373.497 2.172 20 30 FEEDRO O=C1c2ccccc2C(=O)N1CC#CC[N@@H+]1CC[C@@H](Nc2ccccc2)C1 ZINC000528417082 562328003 /nfs/dbraw/zinc/32/80/03/562328003.db2.gz RUVIOPVZFKQUCI-GOSISDBHSA-N 1 0 359.429 2.472 20 30 FEEDRO CC(C)n1cnnc1[C@H]1CCC[N@H+](C[C@H](O)COc2ccccc2C#N)C1 ZINC000528422935 562328509 /nfs/dbraw/zinc/32/85/09/562328509.db2.gz GRJLHPQQOPLICB-ROUUACIJSA-N 1 0 369.469 2.350 20 30 FEEDRO CC(C)C[C@@H]1OCCC[C@@H]1[NH2+]CC#CCN1C(=O)c2ccccc2C1=O ZINC000528459064 562330488 /nfs/dbraw/zinc/33/04/88/562330488.db2.gz RZIDUOAKYGPLGT-OALUTQOASA-N 1 0 354.450 2.469 20 30 FEEDRO CO[C@@H](Cc1ccc(F)cc1)C[NH+]1CCN(c2c(C#N)c(C)nn2C)CC1 ZINC000528470456 562330883 /nfs/dbraw/zinc/33/08/83/562330883.db2.gz FCRGLYZVYXXBLR-SFHVURJKSA-N 1 0 371.460 2.119 20 30 FEEDRO Cn1cc([C@H]2C[N@H+](C[C@@H](O)COc3ccccc3C#N)CC2(C)C)cn1 ZINC000528513684 562333373 /nfs/dbraw/zinc/33/33/73/562333373.db2.gz FJMBTOLGZPESMH-QZTJIDSGSA-N 1 0 354.454 2.157 20 30 FEEDRO O=C1c2ccccc2C(=O)N1CC#CC[N@H+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000528522154 562333748 /nfs/dbraw/zinc/33/37/48/562333748.db2.gz SKENUGUFBQOYRL-ZCNNSNEGSA-N 1 0 366.461 2.302 20 30 FEEDRO O=C1c2ccccc2C(=O)N1CC#CC[N@H+]1CCCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000528522148 562333825 /nfs/dbraw/zinc/33/38/25/562333825.db2.gz SKENUGUFBQOYRL-VAMGGRTRSA-N 1 0 366.461 2.302 20 30 FEEDRO N#Cc1ccc(NC(=O)CC[N@H+]2CC3(CCOCC3)CC[C@H]2CO)cc1 ZINC000528635529 562339374 /nfs/dbraw/zinc/33/93/74/562339374.db2.gz AGUBZHAYHXZFND-SFHVURJKSA-N 1 0 357.454 2.140 20 30 FEEDRO CC(C)[C@H](C#N)N1CCN(C(=O)C[NH2+][C@H](c2ccccn2)C2CCC2)CC1 ZINC000528654306 562340452 /nfs/dbraw/zinc/34/04/52/562340452.db2.gz BOLOQUMZBSVNAB-FPOVZHCZSA-N 1 0 369.513 2.205 20 30 FEEDRO N#Cc1cc(Oc2ccc(NC(=O)NC3(C[NH3+])CCOCC3)cc2)ccn1 ZINC000528691449 562342314 /nfs/dbraw/zinc/34/23/14/562342314.db2.gz IUTGROKFRVXBED-UHFFFAOYSA-N 1 0 367.409 2.375 20 30 FEEDRO C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1[NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000528758623 562346169 /nfs/dbraw/zinc/34/61/69/562346169.db2.gz GBFRAJKLPAIXAN-NPSOMJIGSA-N 1 0 353.426 2.084 20 30 FEEDRO COCc1ccc(NC(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)cc1C#N ZINC000529213339 562365201 /nfs/dbraw/zinc/36/52/01/562365201.db2.gz QBPFEHKBRQTQBE-CQSZACIVSA-N 1 0 360.458 2.014 20 30 FEEDRO C[NH+]1CCC(Oc2ccc(CNC(=O)Cc3ccc(C#N)nc3)cc2)CC1 ZINC000529315604 562368794 /nfs/dbraw/zinc/36/87/94/562368794.db2.gz YNZNUPPHNRKQER-UHFFFAOYSA-N 1 0 364.449 2.285 20 30 FEEDRO N#Cc1ccc(CC(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cn1 ZINC000529409822 562372827 /nfs/dbraw/zinc/37/28/27/562372827.db2.gz UTJWSHAAMHGAAS-VQTJNVASSA-N 1 0 360.461 2.476 20 30 FEEDRO N#Cc1ccccc1OC[C@H](O)C[NH2+][C@H]1CCN(c2ncccc2Cl)C1 ZINC000530230930 562403037 /nfs/dbraw/zinc/40/30/37/562403037.db2.gz DSAFUTNPMIGZGX-JKSUJKDBSA-N 1 0 372.856 2.215 20 30 FEEDRO N#Cc1ccccc1OC[C@H](O)C[NH2+][C@H]1CCN(c2c(F)cccc2F)C1 ZINC000530231564 562403117 /nfs/dbraw/zinc/40/31/17/562403117.db2.gz KJMDESFJQDJOMK-JKSUJKDBSA-N 1 0 373.403 2.445 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH+]1CCC(OCCO)CC1 ZINC000533802817 562518505 /nfs/dbraw/zinc/51/85/05/562518505.db2.gz OVQUOPLHASMVTO-HNNXBMFYSA-N 1 0 352.500 2.125 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N(C)C[C@@H]1CCN(C(C)=O)C1)C(C)C ZINC000534376534 562532982 /nfs/dbraw/zinc/53/29/82/562532982.db2.gz GPSWTCMXGPHFSM-RBUKOAKNSA-N 1 0 364.534 2.195 20 30 FEEDRO C=C(C)[C@H](CC(=O)NCc1ccc(N2CC[NH+](CC)CC2)nc1)OCC ZINC000534406661 562533582 /nfs/dbraw/zinc/53/35/82/562533582.db2.gz WVTWYIYDPQKKBC-SFHVURJKSA-N 1 0 360.502 2.211 20 30 FEEDRO C=C(C)[C@H](CC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)OCC ZINC000536433011 562575376 /nfs/dbraw/zinc/57/53/76/562575376.db2.gz INKUTMFCYZGLBU-UFYCRDLUSA-N 1 0 360.498 2.357 20 30 FEEDRO N#C[C@H]1CSCCN1C(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000537132697 562586251 /nfs/dbraw/zinc/58/62/51/562586251.db2.gz MSWFVCNFKBSDJK-SFHVURJKSA-N 1 0 358.511 2.056 20 30 FEEDRO C=CCOc1cccnc1C(=O)Nc1ccc(OC[C@H](O)C[NH+](C)C)cc1 ZINC000537170752 562586985 /nfs/dbraw/zinc/58/69/85/562586985.db2.gz SUTBXWWSNAIMOF-MRXNPFEDSA-N 1 0 371.437 2.200 20 30 FEEDRO C[NH+]1CCN(C[C@H](NC(=O)N2CCC(CC#N)CC2)c2ccccc2)CC1 ZINC000540993887 562599674 /nfs/dbraw/zinc/59/96/74/562599674.db2.gz PTTACVZFDNNQAN-FQEVSTJZSA-N 1 0 369.513 2.310 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(-c3ccc[nH]3)cc2)CC1 ZINC000541361032 562610366 /nfs/dbraw/zinc/61/03/66/562610366.db2.gz ZOALAXYPXPTHHO-UHFFFAOYSA-N 1 0 352.438 2.387 20 30 FEEDRO COc1ccc(NC(=O)CC[NH+]2CCN(c3cccc(C#N)n3)CC2)cc1 ZINC000546210159 562635175 /nfs/dbraw/zinc/63/51/75/562635175.db2.gz PWASZAKVWLOTIG-UHFFFAOYSA-N 1 0 365.437 2.113 20 30 FEEDRO CCCC[NH+]1CCC(NC(=O)N2CCN(c3cccc(C#N)n3)CC2)CC1 ZINC000546219707 562635370 /nfs/dbraw/zinc/63/53/70/562635370.db2.gz DGMKSTCUQXJFEW-UHFFFAOYSA-N 1 0 370.501 2.049 20 30 FEEDRO C[NH+]1CCC(N(C[C@H](O)CC(C)(C)C)S(=O)(=O)CCCCC#N)CC1 ZINC000555945955 674382691 /nfs/dbraw/zinc/38/26/91/674382691.db2.gz PYNFCTZBWMGKNN-QGZVFWFLSA-N 1 0 373.563 2.203 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)[C@H](C)C2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000806807514 674390869 /nfs/dbraw/zinc/39/08/69/674390869.db2.gz PCIHOABDZRVRMZ-CQSZACIVSA-N 1 0 351.491 2.256 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N1CCS[C@@H](C)CC1)C(C)C ZINC000556209903 674392155 /nfs/dbraw/zinc/39/21/55/674392155.db2.gz ZOFVLSKYPXLDIT-IRXDYDNUSA-N 1 0 367.559 2.155 20 30 FEEDRO C[C@H](Oc1ccccc1C#N)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000584656340 567940777 /nfs/dbraw/zinc/94/07/77/567940777.db2.gz UOVQXPWRYWWNOO-DOPJRALCSA-N 1 0 353.397 2.418 20 30 FEEDRO N#C[C@H]1CC[C@@H](NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@@]23CCOC3)C1 ZINC000602166864 567946608 /nfs/dbraw/zinc/94/66/08/567946608.db2.gz LDUOKQHKGYSDMO-YOUFYPILSA-N 1 0 353.466 2.334 20 30 FEEDRO N#CCCN1CCN(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000602229245 567957649 /nfs/dbraw/zinc/95/76/49/567957649.db2.gz YYSFIJLYQXACAQ-UHFFFAOYSA-N 1 0 355.486 2.023 20 30 FEEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]Cc1cccc(C(=O)N2CCOCC2)c1 ZINC000602520546 567987170 /nfs/dbraw/zinc/98/71/70/567987170.db2.gz HUIITYSWIULCIJ-KRWDZBQOSA-N 1 0 371.481 2.348 20 30 FEEDRO C[N@@H+](Cc1ccccc1)C[C@@H](N)C(=O)N1CCc2c(CC#N)cccc2C1 ZINC000602573922 567996406 /nfs/dbraw/zinc/99/64/06/567996406.db2.gz OAEKKPXEYGREDF-OAQYLSRUSA-N 1 0 362.477 2.097 20 30 FEEDRO N#CC1(C[C@H](O)C[N@@H+]2CC[C@H](c3ccc4cccnc4n3)C2)CCOCC1 ZINC000602882021 568004603 /nfs/dbraw/zinc/00/46/03/568004603.db2.gz IRNKZSADTPSTSQ-ROUUACIJSA-N 1 0 366.465 2.490 20 30 FEEDRO N#CC1CCC([NH2+]CCNS(=O)(=O)c2ccc(F)cc2Cl)CC1 ZINC000602657398 568006626 /nfs/dbraw/zinc/00/66/26/568006626.db2.gz GBHZPARREAWIME-UHFFFAOYSA-N 1 0 359.854 2.429 20 30 FEEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]CCn1cc(Br)ccc1=O ZINC000602674335 568008671 /nfs/dbraw/zinc/00/86/71/568008671.db2.gz OOHZFMUXZZRXOE-ZDUSSCGKSA-N 1 0 368.275 2.299 20 30 FEEDRO COC[C@](C)(CO)[NH2+]CC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000602932479 568019901 /nfs/dbraw/zinc/01/99/01/568019901.db2.gz OOJTVAHSCWJFTP-GUYCJALGSA-N 1 0 351.472 2.006 20 30 FEEDRO C=CCCn1cc(CN2CC[C@](COC)(C(=O)OC(C)(C)C)C2)nn1 ZINC000602736773 568026167 /nfs/dbraw/zinc/02/61/67/568026167.db2.gz QCGDLTIOCUESGF-SFHVURJKSA-N 1 0 350.463 2.034 20 30 FEEDRO CN(CC(=O)NCc1ccc(C(=O)N2CCCC2)cc1)[C@H]1CCC[C@H]1C#N ZINC000602975380 568035809 /nfs/dbraw/zinc/03/58/09/568035809.db2.gz AETOOMGBNMPNOO-OALUTQOASA-N 1 0 368.481 2.163 20 30 FEEDRO C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000568525422 568047029 /nfs/dbraw/zinc/04/70/29/568047029.db2.gz QBGXJOCHQHJJSS-POZUXBRTSA-N 1 0 357.454 2.070 20 30 FEEDRO N#CCCN(C(=O)Cn1cc(C[NH2+]C2CC2)nn1)c1cccc(Cl)c1 ZINC000603177186 568068163 /nfs/dbraw/zinc/06/81/63/568068163.db2.gz NDSIVMQEYQTOSG-UHFFFAOYSA-N 1 0 358.833 2.130 20 30 FEEDRO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)n1cc(C2CC[NH2+]CC2)nn1 ZINC000603192824 568072240 /nfs/dbraw/zinc/07/22/40/568072240.db2.gz ARTGUSGRDGFNFM-CQSZACIVSA-N 1 0 370.432 2.392 20 30 FEEDRO N#CC1(CCCn2cc(C[C@@H]([NH3+])Cc3ccccc3)nn2)CCOCC1 ZINC000603234709 568075841 /nfs/dbraw/zinc/07/58/41/568075841.db2.gz PUYHYOSIRFNXDZ-SFHVURJKSA-N 1 0 353.470 2.491 20 30 FEEDRO C[NH2+][C@H](C)c1cn(CC(=O)Nc2ccccc2SC[C@H](C)C#N)nn1 ZINC000603214772 568076646 /nfs/dbraw/zinc/07/66/46/568076646.db2.gz DJKFEEQVAWWGAM-CHWSQXEVSA-N 1 0 358.471 2.449 20 30 FEEDRO CC[NH+]1CCN(CCNC(=O)c2ccc(C#Cc3ccccc3)cc2)CC1 ZINC000603282630 568082547 /nfs/dbraw/zinc/08/25/47/568082547.db2.gz UBTNUHRGISZVLX-UHFFFAOYSA-N 1 0 361.489 2.454 20 30 FEEDRO CCN(CC)c1ccc(C[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)cn1 ZINC000569212658 568309061 /nfs/dbraw/zinc/30/90/61/568309061.db2.gz CODUTPYPIVWELF-UHFFFAOYSA-N 1 0 372.494 2.363 20 30 FEEDRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)Nc1ccc(C#N)cc1Cl ZINC000569592078 568408792 /nfs/dbraw/zinc/40/87/92/568408792.db2.gz RYCPOHRDUYCLRC-CYBMUJFWSA-N 1 0 362.861 2.387 20 30 FEEDRO COc1ccc([C@H](OC)[C@@H](C)[NH2+]Cc2cnc3c(C#N)cnn3c2)cc1 ZINC000569927965 568437745 /nfs/dbraw/zinc/43/77/45/568437745.db2.gz RZNSKVKJQQXPCE-FZKQIMNGSA-N 1 0 351.410 2.475 20 30 FEEDRO C=CC[NH+]1CCC(Nc2nc(C(F)(F)F)ccc2-c2nn[nH]n2)CC1 ZINC000735428931 599053004 /nfs/dbraw/zinc/05/30/04/599053004.db2.gz PIBYERSLIRLPDK-UHFFFAOYSA-N 1 0 353.352 2.343 20 30 FEEDRO CC[NH+](CC)CC#C[C@H](C)OC(=O)CCc1ccc(-c2nn[nH]n2)cc1 ZINC000821181704 607322533 /nfs/dbraw/zinc/32/25/33/607322533.db2.gz OTITWSINUCPLKU-HNNXBMFYSA-N 1 0 355.442 2.076 20 30 FEEDRO N#Cc1ccc(CN2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)cc1 ZINC000737711228 598417525 /nfs/dbraw/zinc/41/75/25/598417525.db2.gz IESJHMBNRQCSPN-UHFFFAOYSA-N 1 0 373.464 2.446 20 30 FEEDRO C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)NCC[N@@H+](C)[C@H](C)CC ZINC000735420941 598430449 /nfs/dbraw/zinc/43/04/49/598430449.db2.gz VTVYEBHJKAXBMH-OAHLLOKOSA-N 1 0 371.489 2.295 20 30 FEEDRO C[C@@H]([NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1)C(=O)NC1(C#N)CCCCC1 ZINC000820413294 599389409 /nfs/dbraw/zinc/38/94/09/599389409.db2.gz PMNGLMNMYYUGRX-ZIAGYGMSSA-N 1 0 367.457 2.248 20 30 FEEDRO COc1ccc(C[NH2+]Cc2ccc(O[C@H](C)C#N)cc2)cc1-c1nn[nH]n1 ZINC000826202526 607567526 /nfs/dbraw/zinc/56/75/26/607567526.db2.gz CMYDBPSGVSDGHV-CYBMUJFWSA-N 1 0 364.409 2.456 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N[C@H](C)c2ncc(Br)cn2)CC1 ZINC000559377079 674540477 /nfs/dbraw/zinc/54/04/77/674540477.db2.gz GXNRGOXQKCXEKF-LLVKDONJSA-N 1 0 368.279 2.250 20 30 FEEDRO C#Cc1cc(F)c(NC(=O)C(=O)N[C@@H](C)C[N@@H+](CC)CCC)c(F)c1 ZINC000810495996 674546884 /nfs/dbraw/zinc/54/68/84/674546884.db2.gz MZBXJIAMMVGGAP-LBPRGKRZSA-N 1 0 351.397 2.121 20 30 FEEDRO c1cc(-c2nn[nH]n2)ccc1C[NH+]1CCC(=NO[C@H]2CCCCO2)CC1 ZINC000826513600 607890775 /nfs/dbraw/zinc/89/07/75/607890775.db2.gz PWOZYLZQRLRHDQ-KRWDZBQOSA-N 1 0 356.430 2.362 20 30 FEEDRO C[C@@H]([NH2+]CC(=O)Nc1sccc1C#N)c1ccc(-c2nn[nH]n2)cc1 ZINC000824564481 608464936 /nfs/dbraw/zinc/46/49/36/608464936.db2.gz UPZQTVKENRSUFT-SNVBAGLBSA-N 1 0 353.411 2.089 20 30 FEEDRO COc1ccc([C@H](CCC#N)[NH2+]C[C@H]2CCCCN2S(C)(=O)=O)cc1 ZINC000560585096 674601181 /nfs/dbraw/zinc/60/11/81/674601181.db2.gz QLDMXRSQTPVMDF-AEFFLSMTSA-N 1 0 365.499 2.444 20 30 FEEDRO C#CCNC(=S)C(C(=O)c1cccc(OC)n1)[n+]1ccc(CC)cc1 ZINC000811725606 674623194 /nfs/dbraw/zinc/62/31/94/674623194.db2.gz DVHOJZDGPNKSQY-UHFFFAOYSA-O 1 0 354.455 2.374 20 30 FEEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1S[C@H](C)c1nncn1C ZINC000561439753 674666729 /nfs/dbraw/zinc/66/67/29/674666729.db2.gz AILSJXFVNXVLJK-CQSZACIVSA-N 1 0 361.519 2.474 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCCC[C@@H](SCC)C2)CC1 ZINC000561450383 674667431 /nfs/dbraw/zinc/66/74/31/674667431.db2.gz HNEPEHFKUWGCQZ-QGZVFWFLSA-N 1 0 367.559 2.277 20 30 FEEDRO C=CCNC(=O)CNC(=O)NC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)CCC ZINC000561670122 674688592 /nfs/dbraw/zinc/68/85/92/674688592.db2.gz FAASYMHRCZFMSQ-INIZCTEOSA-N 1 0 366.893 2.324 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+]CCc2ccc(Cl)s2)nc1 ZINC000562985281 674831149 /nfs/dbraw/zinc/83/11/49/674831149.db2.gz PQBWAMWMVHHMOZ-UHFFFAOYSA-N 1 0 355.872 2.274 20 30 FEEDRO COC(=O)CCC[C@@H]1CCCC(=NNC(=S)NCCC[NH+](C)C)C1 ZINC000814845757 674883701 /nfs/dbraw/zinc/88/37/01/674883701.db2.gz UYPGXIWCPCCEFE-AWEZNQCLSA-N 1 0 356.536 2.292 20 30 FEEDRO CCCNC(=S)C(C(=O)c1cc(C)n(C)c1C)[n+]1cccc(CO)c1 ZINC000022804934 670044340 /nfs/dbraw/zinc/04/43/40/670044340.db2.gz AGZIKXBHRYIPGD-UHFFFAOYSA-O 1 0 360.503 2.360 20 30 FEEDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccc(CC#N)cc2Cl)C1 ZINC000569559674 670578500 /nfs/dbraw/zinc/57/85/00/670578500.db2.gz RLVSWANMAWMSHE-CQSZACIVSA-N 1 0 362.861 2.191 20 30 FEEDRO C=CC[N@@H+](CCc1ccc(S(N)(=O)=O)cc1)Cc1cccc(C#N)c1 ZINC000107910647 670824429 /nfs/dbraw/zinc/82/44/29/670824429.db2.gz KLPRUKFMJYYQDA-UHFFFAOYSA-N 1 0 355.463 2.436 20 30 FEEDRO CC(C)(C)c1cc(C#N)c(NC(=O)C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)s1 ZINC000571297659 670852136 /nfs/dbraw/zinc/85/21/36/670852136.db2.gz ISFBATACHRPZHU-DRZSPHRISA-N 1 0 360.483 2.051 20 30 FEEDRO COc1ccc(Cl)cc1NC(=O)CON=C(N)C[N@@H+]1CCCC[C@H]1C ZINC000111179241 670855755 /nfs/dbraw/zinc/85/57/55/670855755.db2.gz GCLKZUHPNCGDDK-GFCCVEGCSA-N 1 0 368.865 2.450 20 30 FEEDRO C[N@H+](CCCNS(=O)(=O)c1cccc(F)c1C#N)Cc1ccccc1 ZINC000113769283 670888201 /nfs/dbraw/zinc/88/82/01/670888201.db2.gz SBFGZJUIAPXFAB-UHFFFAOYSA-N 1 0 361.442 2.498 20 30 FEEDRO COC[C@H](Cc1ccccc1)[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000571874656 670935119 /nfs/dbraw/zinc/93/51/19/670935119.db2.gz BRTKPKOVPAJESW-SFHVURJKSA-N 1 0 358.463 2.179 20 30 FEEDRO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCCO[C@H](CF)C1)CCC2 ZINC000573781181 671163642 /nfs/dbraw/zinc/16/36/42/671163642.db2.gz JLPCWFLRZGORDJ-GFCCVEGCSA-N 1 0 351.447 2.497 20 30 FEEDRO C[C@@H](Cc1ccc(F)c(Br)c1)[NH2+]C[C@H](O)CN(C)CCC#N ZINC000566117302 675182777 /nfs/dbraw/zinc/18/27/77/675182777.db2.gz UEIAGUPKPBFZMT-JSGCOSHPSA-N 1 0 372.282 2.315 20 30 FEEDRO N#CCC1(CS(=O)(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)CC1 ZINC000566136062 675185026 /nfs/dbraw/zinc/18/50/26/675185026.db2.gz BWQWXWJBVRZGMB-ZWKOTPCHSA-N 1 0 359.495 2.216 20 30 FEEDRO C[N@@H+]1CC[C@]2(CCN(S(=O)(=O)c3ccc(C#N)c(C(F)(F)F)c3)C2)C1 ZINC000576089388 671343045 /nfs/dbraw/zinc/34/30/45/671343045.db2.gz QADPRIHIMKOXFG-HNNXBMFYSA-N 1 0 373.400 2.293 20 30 FEEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CCN3C[C@@H]4C[NH2+]C[C@H]4C3)sc2C1 ZINC000609144215 675912081 /nfs/dbraw/zinc/91/20/81/675912081.db2.gz BMJGPRULJNAGQP-RDBSUJKOSA-N 1 0 358.511 2.224 20 30 FEEDRO N#C[C@H]1CN(C(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)CCO1 ZINC000609282037 675916848 /nfs/dbraw/zinc/91/68/48/675916848.db2.gz QZJHRPVXAMIUKZ-WMLDXEAASA-N 1 0 362.861 2.411 20 30 FEEDRO COc1ccc(Cl)cc1NCCC(=O)NC1(C#N)CC[NH+](C)CC1 ZINC000609286897 675917232 /nfs/dbraw/zinc/91/72/32/675917232.db2.gz JYTQXCPBNFFURB-UHFFFAOYSA-N 1 0 350.850 2.255 20 30 FEEDRO N#Cc1ccsc1NC(=O)CCN1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000609433620 675922141 /nfs/dbraw/zinc/92/21/41/675922141.db2.gz WRPXYZKTETWQLC-MRXNPFEDSA-N 1 0 362.499 2.135 20 30 FEEDRO CN(CCC#N)C[C@@H](O)C[NH2+][C@H]1C[C@H](c2ccc(Br)cc2)C1 ZINC000578065324 671637871 /nfs/dbraw/zinc/63/78/71/671637871.db2.gz YRPNVEGBLCKDCJ-XIRDDKMYSA-N 1 0 366.303 2.491 20 30 FEEDRO COc1ccc(S(=O)(=O)N2CCC([NH2+][C@@H]3CC[C@H](C#N)C3)CC2)cc1 ZINC000578739088 671686302 /nfs/dbraw/zinc/68/63/02/671686302.db2.gz JCMNFTYKZMMDSF-GOEBONIOSA-N 1 0 363.483 2.130 20 30 FEEDRO C[N@H+](CCc1ccccc1)[C@H]1CCN(S(=O)(=O)CC2(CC#N)CC2)C1 ZINC000579615603 671748735 /nfs/dbraw/zinc/74/87/35/671748735.db2.gz NHNKYHFGFQCEDG-SFHVURJKSA-N 1 0 361.511 2.259 20 30 FEEDRO Cc1csc(NC(=O)NCCCC[NH+]2CCC(C(N)=O)CC2)c1C#N ZINC000580090264 671782652 /nfs/dbraw/zinc/78/26/52/671782652.db2.gz PTPQMYIANQWUAA-UHFFFAOYSA-N 1 0 363.487 2.027 20 30 FEEDRO C#CCSCCNC(=O)NC[C@@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC000118988286 671889765 /nfs/dbraw/zinc/88/97/65/671889765.db2.gz NEVHDOAUCLLIQY-SFHVURJKSA-N 1 0 361.511 2.498 20 30 FEEDRO C=CCNC(=O)NC(=O)C[N@@H+](CCC)[C@H]1C[C@@H](OCC)C12CCCC2 ZINC000610134194 675955913 /nfs/dbraw/zinc/95/59/13/675955913.db2.gz USHBPRLRIBMNGG-JKSUJKDBSA-N 1 0 351.491 2.448 20 30 FEEDRO C#CCOc1ccc(Br)cc1C[NH2+]C[C@]1(OC)CCOC1 ZINC000122953591 671972745 /nfs/dbraw/zinc/97/27/45/671972745.db2.gz HSNQOPCFOZUGFL-MRXNPFEDSA-N 1 0 354.244 2.356 20 30 FEEDRO CS(=O)(=O)N[C@@H]1CCC[C@@H]1CNC(=[NH2+])Nc1cccc2c1CCCC2 ZINC000134117602 672119864 /nfs/dbraw/zinc/11/98/64/672119864.db2.gz ODUBRNMVEPEATA-GDBMZVCRSA-N 1 0 364.515 2.010 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)Nc2cccc(N3C(=S)N=NC3C)c2)CC1 ZINC000134563540 672124083 /nfs/dbraw/zinc/12/40/83/672124083.db2.gz KINSYSPLQPPWHZ-UHFFFAOYSA-N 1 0 355.467 2.148 20 30 FEEDRO CN([C@H]1CCC[NH2+]CC1)S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000583764248 672124333 /nfs/dbraw/zinc/12/43/33/672124333.db2.gz CELRKRXGIGEZDU-ZDUSSCGKSA-N 1 0 372.288 2.083 20 30 FEEDRO C[NH+]=C(NCc1ccnc(C)n1)N[C@@H]1CCN(c2cccc(Cl)c2)C1 ZINC000156401638 672246250 /nfs/dbraw/zinc/24/62/50/672246250.db2.gz PNRORGPCPJREJJ-MRXNPFEDSA-N 1 0 358.877 2.382 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)[C@@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)CC1 ZINC000172542750 672342772 /nfs/dbraw/zinc/34/27/72/672342772.db2.gz YTMPGJLSXJMHEY-CVEARBPZSA-N 1 0 351.491 2.446 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)[C@@H]2CCC[C@H]2NC(=O)OC(C)(C)C)CC1 ZINC000172542746 672342865 /nfs/dbraw/zinc/34/28/65/672342865.db2.gz YTMPGJLSXJMHEY-HZPDHXFCSA-N 1 0 351.491 2.446 20 30 FEEDRO N#Cc1cncc(S(=O)(=O)N2CCC(C[NH+]3CCCCCC3)CC2)c1 ZINC000589273954 672518805 /nfs/dbraw/zinc/51/88/05/672518805.db2.gz CLXWLOBOMHCUGM-UHFFFAOYSA-N 1 0 362.499 2.230 20 30 FEEDRO CCCCCCNC(=[NH2+])NCc1ccc(N2CCCS2(=O)=O)c(F)c1 ZINC000187046918 672561384 /nfs/dbraw/zinc/56/13/84/672561384.db2.gz WXOHDPVMLDQGPI-UHFFFAOYSA-N 1 0 370.494 2.350 20 30 FEEDRO C=CCOCC[NH2+][C@@H](CN1CCC(C(N)=O)CC1)c1ccc(Cl)cc1 ZINC000680349106 672567593 /nfs/dbraw/zinc/56/75/93/672567593.db2.gz HCUQWHCQYLBYPF-SFHVURJKSA-N 1 0 365.905 2.371 20 30 FEEDRO N#Cc1cc(Cl)c(C(=O)NC[C@H](O)C[NH+]2CCCCC2)c(Cl)c1 ZINC000590684920 672601947 /nfs/dbraw/zinc/60/19/47/672601947.db2.gz LUDRSBSGJFBGRC-LBPRGKRZSA-N 1 0 356.253 2.442 20 30 FEEDRO N#Cc1ccc(-n2ccc(NC(=O)NC[C@H]3CCCC[NH2+]3)n2)c(Cl)c1 ZINC000591297748 672667080 /nfs/dbraw/zinc/66/70/80/672667080.db2.gz MGGQHUDCSOUBNT-CYBMUJFWSA-N 1 0 358.833 2.661 20 30 FEEDRO N#CCCC[C@@H]([NH3+])C(=O)N1CCc2c(F)cc(Br)cc2C1 ZINC000591630970 672696189 /nfs/dbraw/zinc/69/61/89/672696189.db2.gz YGUFICQTMXZOOC-CQSZACIVSA-N 1 0 354.223 2.494 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)NC[C@H]2CCN(CC(F)(F)F)C2)CC1 ZINC000592298858 672782940 /nfs/dbraw/zinc/78/29/40/672782940.db2.gz VBQGCRVVEMUOEO-CQSZACIVSA-N 1 0 362.440 2.210 20 30 FEEDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CCC[C@](C)(C#N)C2)[C@H](C)C1 ZINC000612128156 676069894 /nfs/dbraw/zinc/06/98/94/676069894.db2.gz ZSEMMZPNAIKYMS-ZIFCJYIRSA-N 1 0 350.507 2.459 20 30 FEEDRO CC[NH+]=C(N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C)N[C@@H]1CCC[C@H]([S@](=O)CC)C1 ZINC000261688173 672901289 /nfs/dbraw/zinc/90/12/89/672901289.db2.gz IFXFRJYQFIFNOJ-QDYDKUCMSA-N 1 0 369.575 2.435 20 30 FEEDRO CC[S@](=O)[C@@H]1CCC[C@H](NC(N[C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)=[NH+]C)C1 ZINC000261706299 672901649 /nfs/dbraw/zinc/90/16/49/672901649.db2.gz JPJPGBGGUGPHKK-ZLFMQAKXSA-N 1 0 369.575 2.435 20 30 FEEDRO C[NH+]=C(NCCc1cc(Cl)c2c(c1)OCCO2)N(C)C[C@H]1CCOC1 ZINC000261707135 672901653 /nfs/dbraw/zinc/90/16/53/672901653.db2.gz UWVASEAQBBYLGZ-CQSZACIVSA-N 1 0 367.877 2.197 20 30 FEEDRO CC[S@](=O)[C@@H]1CCC[C@H](NC(N[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)=[NH+]C)C1 ZINC000261742586 672902353 /nfs/dbraw/zinc/90/23/53/672902353.db2.gz MSDUHBWJOFAEHR-YWWPIVDYSA-N 1 0 355.548 2.045 20 30 FEEDRO C#CCNC(=[NH+]CC)N1CCN(C(=O)Cc2cccc(Cl)c2)[C@H](C)C1 ZINC000261747664 672902646 /nfs/dbraw/zinc/90/26/46/672902646.db2.gz CAHNGJJXKCPGBS-OAHLLOKOSA-N 1 0 360.889 2.014 20 30 FEEDRO CC[NH+]=C(NCc1ccc(C)cc1C)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261940468 672905328 /nfs/dbraw/zinc/90/53/28/672905328.db2.gz DLYUQTILJRTHQG-UHFFFAOYSA-N 1 0 351.516 2.278 20 30 FEEDRO C[NH+]=C(NC[C@H]1CCCc2ccccc21)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261962142 672906196 /nfs/dbraw/zinc/90/61/96/672906196.db2.gz KMFFCNJPLZRDGL-MRXNPFEDSA-N 1 0 363.527 2.191 20 30 FEEDRO CC[NH+]=C(N[C@@H]1C[C@H]1Cc1ccccc1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000262005133 672907543 /nfs/dbraw/zinc/90/75/43/672907543.db2.gz VJXAPGPDKJBOMW-IAGOWNOFSA-N 1 0 363.527 2.092 20 30 FEEDRO CC[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000262232592 672911500 /nfs/dbraw/zinc/91/15/00/672911500.db2.gz MMLWOWJKEHRNER-MWDXBVQZSA-N 1 0 355.548 2.335 20 30 FEEDRO C[NH+]=C(NC[C@]1(O)CCSC1)N(C)Cc1ccc(Br)cc1 ZINC000262379551 672914416 /nfs/dbraw/zinc/91/44/16/672914416.db2.gz KGINEGWIAQAOBH-OAHLLOKOSA-N 1 0 372.332 2.324 20 30 FEEDRO C[NH+]=C(NCc1nc(C)c(C)s1)NCc1nncn1-c1ccccc1 ZINC000262363449 672914418 /nfs/dbraw/zinc/91/44/18/672914418.db2.gz HFYSQELXJOYJSZ-UHFFFAOYSA-N 1 0 355.471 2.206 20 30 FEEDRO CSC1(CNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)CCOCC1 ZINC000262526299 672917351 /nfs/dbraw/zinc/91/73/51/672917351.db2.gz KWNPPVGMVBYOHU-UHFFFAOYSA-N 1 0 351.472 2.487 20 30 FEEDRO [NH2+]=C(NCCc1nc(-c2cccc(Cl)c2)no1)N1CCSCC1 ZINC000262531485 672917486 /nfs/dbraw/zinc/91/74/86/672917486.db2.gz NURJHWLBOQEHFX-UHFFFAOYSA-N 1 0 351.863 2.296 20 30 FEEDRO C[C@@H]1CN([C@H](CNC2=[NH+]CCN2C)c2c(F)cccc2Cl)CCO1 ZINC000262690246 672919134 /nfs/dbraw/zinc/91/91/34/672919134.db2.gz ZYVWOFMFDPNKEN-IUODEOHRSA-N 1 0 354.857 2.132 20 30 FEEDRO CCc1nc(CNC(N[C@@H]2CCC[C@H](C(=O)N(C)C)C2)=[NH+]C)cs1 ZINC000262807984 672921227 /nfs/dbraw/zinc/92/12/27/672921227.db2.gz UHGLQDSERSUIDB-QWHCGFSZSA-N 1 0 351.520 2.018 20 30 FEEDRO C[NH+]=C(NCC1(SC)CCOCC1)N1CCC[C@@]2(CCCOC2)C1 ZINC000262800492 672921488 /nfs/dbraw/zinc/92/14/88/672921488.db2.gz QROFSNLNKJXQJZ-QGZVFWFLSA-N 1 0 355.548 2.367 20 30 FEEDRO CS(=O)(=O)c1ccccc1CNC(=[NH2+])N[C@@H]1CCOc2ccccc21 ZINC000263111147 672928282 /nfs/dbraw/zinc/92/82/82/672928282.db2.gz LBXFVQIQLPZXEO-OAHLLOKOSA-N 1 0 359.451 2.018 20 30 FEEDRO C[C@H](C#N)CNC(=O)C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000593584501 672951304 /nfs/dbraw/zinc/95/13/04/672951304.db2.gz OZLCWMSGDBRMRS-CQSZACIVSA-N 1 0 360.483 2.089 20 30 FEEDRO C=CC[C@H]1CC[C@H]([NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000593591451 672953006 /nfs/dbraw/zinc/95/30/06/672953006.db2.gz IXNFHQXSFQNUBK-KBPBESRZSA-N 1 0 353.444 2.208 20 30 FEEDRO CC[C@@H](C)NC(=O)CCNC(=[NH2+])N1CCN(c2ccc(Cl)cc2)CC1 ZINC000303881931 673018702 /nfs/dbraw/zinc/01/87/02/673018702.db2.gz LFHZHJPLZBTMPO-CQSZACIVSA-N 1 0 365.909 2.082 20 30 FEEDRO CCNS(=O)(=O)c1ccc(CNC(=[NH2+])Nc2cccc(CC)c2)cc1 ZINC000305045902 673021448 /nfs/dbraw/zinc/02/14/48/673021448.db2.gz AOGXBOCRYDHGGV-UHFFFAOYSA-N 1 0 360.483 2.474 20 30 FEEDRO N#CCCCC[C@H]([NH3+])C(=O)NCCOc1cccc(Br)c1 ZINC000594431130 673071272 /nfs/dbraw/zinc/07/12/72/673071272.db2.gz IFQRJEUTEPAOOT-AWEZNQCLSA-N 1 0 354.248 2.355 20 30 FEEDRO N#CCCCC[C@H]([NH3+])C(=O)NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1 ZINC000594438959 673072035 /nfs/dbraw/zinc/07/20/35/673072035.db2.gz RISLWNCFAPGCLB-GUYCJALGSA-N 1 0 350.413 2.319 20 30 FEEDRO CCOC(=O)c1csc([C@@H]2CCCN2C(=O)[C@@H]([NH3+])CCCCC#N)n1 ZINC000594456559 673074943 /nfs/dbraw/zinc/07/49/43/673074943.db2.gz QLINNNMSLZLVQW-JSGCOSHPSA-N 1 0 364.471 2.395 20 30 FEEDRO O=C(NCc1nc(C(F)(F)F)n[nH]1)N1CCC([NH+]2CCCCC2)CC1 ZINC000330144443 673086276 /nfs/dbraw/zinc/08/62/76/673086276.db2.gz ZOCSONIOBKLNJM-UHFFFAOYSA-N 1 0 360.384 2.188 20 30 FEEDRO N#Cc1cnc2c(Br)cccc2c1N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000594603970 673105608 /nfs/dbraw/zinc/10/56/08/673105608.db2.gz QALYYEAQTWGUPD-QWHCGFSZSA-N 1 0 373.254 2.124 20 30 FEEDRO C=CCOC[C@@H]1NC(=O)N(C[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)C1=O ZINC000348579702 673116143 /nfs/dbraw/zinc/11/61/43/673116143.db2.gz YEODMAVQLAZBGQ-DZKIICNBSA-N 1 0 363.483 2.254 20 30 FEEDRO COC(=O)CCC[NH+]1CCC(=NNC(=S)N[C@H]2CCCC[C@@H]2C)CC1 ZINC000727058508 673152467 /nfs/dbraw/zinc/15/24/67/673152467.db2.gz ACEJSTRWYFBELL-HOCLYGCPSA-N 1 0 368.547 2.434 20 30 FEEDRO CC(C)[C@H]([NH3+])CCNC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 ZINC000595230373 673212173 /nfs/dbraw/zinc/21/21/73/673212173.db2.gz GAZYXFRGUPQOBL-CQSZACIVSA-N 1 0 360.849 2.892 20 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CC(C)C[C@H](NC(=O)CCCCCC#N)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000597692562 673499576 /nfs/dbraw/zinc/49/95/76/673499576.db2.gz QJRUHUREBUULKZ-IRXDYDNUSA-N 1 0 350.507 2.154 20 30 FEEDRO C[N@H+](CCCOc1cccc(S(C)(=O)=O)c1)C[C@H](O)CC(C)(C)C#N ZINC000598588767 673587250 /nfs/dbraw/zinc/58/72/50/673587250.db2.gz CILUHJRRTHMRGA-OAHLLOKOSA-N 1 0 368.499 2.092 20 30 FEEDRO CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598596476 673587496 /nfs/dbraw/zinc/58/74/96/673587496.db2.gz SCMJUTNAJRSKNU-KGLIPLIRSA-N 1 0 363.424 2.410 20 30 FEEDRO CC(C)(C#N)C[C@H](O)C[NH+]1CCC(NC(=O)NC2CCCCC2)CC1 ZINC000598596301 673587534 /nfs/dbraw/zinc/58/75/34/673587534.db2.gz ZQKOZGWRJUWGKC-KRWDZBQOSA-N 1 0 350.507 2.383 20 30 FEEDRO CC(C)(C#N)C[C@H](O)C[NH2+][C@](C)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000598598262 673587836 /nfs/dbraw/zinc/58/78/36/673587836.db2.gz PDUQKKFMNIBZAQ-BBRMVZONSA-N 1 0 357.376 2.296 20 30 FEEDRO CN(CC(=O)OC(C)(C)C)C1CC[NH+](C[C@H](O)CC(C)(C)C#N)CC1 ZINC000598609297 673589923 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CCOC(=O)[C@@H]1CC[C@H](C)[N@H+](C[C@H](O)CC2(C#N)CCOCC2)[C@@H]1C ZINC000599445472 673676304 /nfs/dbraw/zinc/67/63/04/673676304.db2.gz SUBJTUNHJLXYGO-YLFCFFPRSA-N 1 0 352.475 2.110 20 30 FEEDRO N#CCCOCC[NH2+][C@]1(CO)CCc2cc(Br)ccc2C1 ZINC000599572456 673692960 /nfs/dbraw/zinc/69/29/60/673692960.db2.gz BQKHSGVGDGVVAX-MRXNPFEDSA-N 1 0 353.260 2.189 20 30 FEEDRO CCC1([NH+]2CCOCC2)CCN(CC(=O)Nc2sccc2C#N)CC1 ZINC000599669464 673704208 /nfs/dbraw/zinc/70/42/08/673704208.db2.gz MEMSXVZLADWBEI-UHFFFAOYSA-N 1 0 362.499 2.135 20 30 FEEDRO N#CC1(C[C@H](O)C[NH2+]C[C@H](c2cccc(Cl)c2)N2CCOCC2)CC1 ZINC000600721593 673794212 /nfs/dbraw/zinc/79/42/12/673794212.db2.gz CLHWIKBYLMXCHA-ZWKOTPCHSA-N 1 0 363.889 2.358 20 30 FEEDRO N#Cc1ccccc1OC[C@H](O)C[NH2+][C@H]1CCOC2(CCSCC2)C1 ZINC000600726606 673794615 /nfs/dbraw/zinc/79/46/15/673794615.db2.gz IDTKAFXCONZMCH-DLBZAZTESA-N 1 0 362.495 2.332 20 30 FEEDRO Cc1cccc2c1C[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)CO2 ZINC000600749226 673796147 /nfs/dbraw/zinc/79/61/47/673796147.db2.gz PNQLOHATJHHBLU-MRXNPFEDSA-N 1 0 356.447 2.234 20 30 FEEDRO CC[NH+](CC)CCN(CCOC)C(=O)NCc1cc(C#N)ccc1F ZINC000745892647 673855475 /nfs/dbraw/zinc/85/54/75/673855475.db2.gz CHUXVAJDWDSZJS-UHFFFAOYSA-N 1 0 350.438 2.197 20 30 FEEDRO C[C@H]1[C@@H]([NH+](C)C)CCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000601421611 673859715 /nfs/dbraw/zinc/85/97/15/673859715.db2.gz IILROSIEZQAXFF-GWCFXTLKSA-N 1 0 361.389 2.290 20 30 FEEDRO CC[NH+](CC)[C@@H](CNC(=O)N1CCN(CCC#N)CC1)c1ccsc1 ZINC000601548661 673880472 /nfs/dbraw/zinc/88/04/72/673880472.db2.gz CUFGQZBSCJAZEY-KRWDZBQOSA-N 1 0 363.531 2.372 20 30 FEEDRO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)n1cc(C2CC[NH2+]CC2)nn1 ZINC000603188471 673918720 /nfs/dbraw/zinc/91/87/20/673918720.db2.gz LBNBCSHZTJIUBI-LLVKDONJSA-N 1 0 358.833 2.470 20 30 FEEDRO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)n1cc([C@H]2CCC[NH2+]C2)nn1 ZINC000603188928 673918759 /nfs/dbraw/zinc/91/87/59/673918759.db2.gz OAKBTHBETPEAQQ-YPMHNXCESA-N 1 0 358.833 2.470 20 30 FEEDRO CC[NH+](CC)CCC[C@H](C)Nc1ccc(C#N)cc1CS(N)(=O)=O ZINC000603267408 673920133 /nfs/dbraw/zinc/92/01/33/673920133.db2.gz KRYPGVINPVWBPZ-AWEZNQCLSA-N 1 0 352.504 2.269 20 30 FEEDRO C[C@@H]1CCC[N@H+](CCCCNc2ccc(C#N)cc2CS(N)(=O)=O)C1 ZINC000603282053 673921858 /nfs/dbraw/zinc/92/18/58/673921858.db2.gz BPSWVMKFINPVPE-OAHLLOKOSA-N 1 0 364.515 2.271 20 30 FEEDRO C#CC[N@@H+](C)CCCNC(=O)[C@@H](C)Oc1ccc(F)cc1Br ZINC000818584565 675226191 /nfs/dbraw/zinc/22/61/91/675226191.db2.gz OZRZXUXZNWNMKU-GFCCVEGCSA-N 1 0 371.250 2.427 20 30 FEEDRO CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C ZINC000819031991 675254092 /nfs/dbraw/zinc/25/40/92/675254092.db2.gz BDKFFFCCJBEHOD-GJZGRUSLSA-N 1 0 352.479 2.174 20 30 FEEDRO N#CCN1CCC([NH2+]C[C@@H](O)c2ccc(F)c(Br)c2)CC1 ZINC000819033263 675254363 /nfs/dbraw/zinc/25/43/63/675254363.db2.gz FGBCWSBZUSXTSZ-OAHLLOKOSA-N 1 0 356.239 2.199 20 30 FEEDRO C=CC[C@H](CO)CNC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC000567298661 675282328 /nfs/dbraw/zinc/28/23/28/675282328.db2.gz KUFQYHZKGNQIIR-DLBZAZTESA-N 1 0 352.425 2.445 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]C[C@H](O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000819381756 675286750 /nfs/dbraw/zinc/28/67/50/675286750.db2.gz DXXFSDYHRINAFV-ULQDDVLXSA-N 1 0 354.491 2.175 20 30 FEEDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C ZINC000819575548 675302208 /nfs/dbraw/zinc/30/22/08/675302208.db2.gz GAVCXLFHTPBKEF-GJZGRUSLSA-N 1 0 352.479 2.126 20 30 FEEDRO C=C(C)Cn1c(CC(F)(F)F)nnc1N1CCN(CCOCC)CC1 ZINC000567855268 675329507 /nfs/dbraw/zinc/32/95/07/675329507.db2.gz IXMAPJXMACDSTJ-UHFFFAOYSA-N 1 0 361.412 2.118 20 30 FEEDRO C#C[C@H](NC(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1ccc(Cl)cc1 ZINC000820572283 675371537 /nfs/dbraw/zinc/37/15/37/675371537.db2.gz DVXKZLIMFGIJML-OKZBNKHCSA-N 1 0 361.873 2.255 20 30 FEEDRO C#C[C@H](NC(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1ccc(Cl)cc1 ZINC000820572284 675371564 /nfs/dbraw/zinc/37/15/64/675371564.db2.gz DVXKZLIMFGIJML-RCCFBDPRSA-N 1 0 361.873 2.255 20 30 FEEDRO C#C[C@@H](NC(=O)N1CCC[N@@H+](C)CC1)c1ccc(Br)cc1 ZINC000820625436 675375192 /nfs/dbraw/zinc/37/51/92/675375192.db2.gz IPIVOMADUKAGBQ-OAHLLOKOSA-N 1 0 350.260 2.471 20 30 FEEDRO C#CCN(CC(=O)NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1)C(=O)OC(C)(C)C ZINC000822059230 675467908 /nfs/dbraw/zinc/46/79/08/675467908.db2.gz PSXWZDSSISZFHZ-JKSUJKDBSA-N 1 0 351.491 2.093 20 30 FEEDRO CC#CCS(=O)(=O)c1cccc(C(=O)NC(C)(C)C[NH+]2CCCC2)c1 ZINC000822134764 675470254 /nfs/dbraw/zinc/47/02/54/675470254.db2.gz IMLDOBAXCODKGJ-UHFFFAOYSA-N 1 0 362.495 2.088 20 30 FEEDRO C=CC1(CC(=O)N[C@H]2CC[N@@H+](CCC)C2)CN(C(=O)OC(C)(C)C)C1 ZINC000825625570 675661673 /nfs/dbraw/zinc/66/16/73/675661673.db2.gz NJAUAFKMXZBPJA-HNNXBMFYSA-N 1 0 351.491 2.400 20 30 FEEDRO C#CCN(CC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C)C(=O)OC(C)(C)C ZINC000828830508 675847293 /nfs/dbraw/zinc/84/72/93/675847293.db2.gz QJIYUTFEWWWVGQ-MRXNPFEDSA-N 1 0 351.491 2.190 20 30 FEEDRO C#CCN(CC(=O)N1CC[C@H](C[N@@H+](C)CCC)C1)C(=O)OC(C)(C)C ZINC000829176351 675868419 /nfs/dbraw/zinc/86/84/19/675868419.db2.gz SJNQFWTZOXYNQM-MRXNPFEDSA-N 1 0 351.491 2.047 20 30 FEEDRO CC1(C)CN(Cc2cc(C#N)ccc2Br)CC[N@@H+]1CCO ZINC000617225268 676275506 /nfs/dbraw/zinc/27/55/06/676275506.db2.gz QQLARJKOEKKXRY-UHFFFAOYSA-N 1 0 352.276 2.209 20 30 FEEDRO C[NH+](C)CCc1ccc(CNS(=O)(=O)c2cccc(CC#N)c2)cc1 ZINC000619498917 676381873 /nfs/dbraw/zinc/38/18/73/676381873.db2.gz PHDIWDUTEHXARU-UHFFFAOYSA-N 1 0 357.479 2.335 20 30 FEEDRO C[C@H](CC#N)N(C)S(=O)(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000619751581 676393342 /nfs/dbraw/zinc/39/33/42/676393342.db2.gz LBNOQOPXVFDZSS-AEFFLSMTSA-N 1 0 364.515 2.282 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cc(Br)c[nH]c2=O)CC1 ZINC000621859086 676477896 /nfs/dbraw/zinc/47/78/96/676477896.db2.gz SXZIVQPGNFLLQQ-UHFFFAOYSA-N 1 0 354.248 2.320 20 30 FEEDRO C[NH+](C)CCN(CCc1ccccc1)S(=O)(=O)CC(C)(C)CC#N ZINC000829998419 677021008 /nfs/dbraw/zinc/02/10/08/677021008.db2.gz KEHFLYYZXUHRCZ-UHFFFAOYSA-N 1 0 351.516 2.362 20 30 FEEDRO C=CCc1ccccc1OC[C@@H](O)C[NH2+]CCc1cn2c(n1)SCC2 ZINC000644623618 677246850 /nfs/dbraw/zinc/24/68/50/677246850.db2.gz QXUOVONSLWFUHU-KRWDZBQOSA-N 1 0 359.495 2.289 20 30 FEEDRO C=CCc1ccccc1OC[C@@H](O)C[NH2+]CC1(S(C)(=O)=O)CCCC1 ZINC000644646721 677247317 /nfs/dbraw/zinc/24/73/17/677247317.db2.gz IZMBXSXUPRKEMD-KRWDZBQOSA-N 1 0 367.511 2.102 20 30 FEEDRO C=CC[C@@H]1CC[C@@H]([NH2+]Cc2ccc(S(=O)(=O)NCCOC)cc2)C1 ZINC000651690649 677444968 /nfs/dbraw/zinc/44/49/68/677444968.db2.gz OTWZRLDKCWHFPX-NVXWUHKLSA-N 1 0 352.500 2.446 20 30 FEEDRO C#CC[N@@H+](C)CCCNC(=O)N[C@@H](CC)[C@H](O)c1c(F)cccc1F ZINC000838622840 680706601 /nfs/dbraw/zinc/70/66/01/680706601.db2.gz PYGDECBETDCRGF-RDJZCZTQSA-N 1 0 353.413 2.031 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)Nc1cc(Cl)ccc1N1CCOCC1 ZINC000838624286 680706719 /nfs/dbraw/zinc/70/67/19/680706719.db2.gz PYHAJBDXTJIFMS-UHFFFAOYSA-N 1 0 364.877 2.253 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNS(=O)(=O)c1ccc(N)cc1F)C(C)C ZINC000659947202 678236294 /nfs/dbraw/zinc/23/62/94/678236294.db2.gz MIBOVCHVFGNHAH-INIZCTEOSA-N 1 0 355.479 2.385 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCC[C@](CO)(OC)C1 ZINC000661392682 678475585 /nfs/dbraw/zinc/47/55/85/678475585.db2.gz XLHJTXUMZONNAL-YJBOKZPZSA-N 1 0 352.500 2.125 20 30 FEEDRO C=CCOCCCNC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000661792500 678534145 /nfs/dbraw/zinc/53/41/45/678534145.db2.gz AEAIHTHBWIXTBQ-UHFFFAOYSA-N 1 0 353.507 2.161 20 30 FEEDRO C=CC[C@@]1(C(=O)N2CCN(Cc3ccc(Cl)cc3)C(=O)C2)CCC[NH2+]1 ZINC000662615359 678643628 /nfs/dbraw/zinc/64/36/28/678643628.db2.gz FGRHSQDIVBUDPR-IBGZPJMESA-N 1 0 361.873 2.209 20 30 FEEDRO C=C(C[NH+](C)C)C(=O)Nc1cc(C(F)(F)F)ccc1NS(C)(=O)=O ZINC000764510449 680812399 /nfs/dbraw/zinc/81/23/99/680812399.db2.gz VRHVZARPBJMULY-UHFFFAOYSA-N 1 0 365.377 2.133 20 30 FEEDRO C#CCC[NH+]1CCC(NS(=O)(=O)c2c(C)cc(OC)cc2C)CC1 ZINC000840951664 680856336 /nfs/dbraw/zinc/85/63/36/680856336.db2.gz DZLJPXLJCWJSMJ-UHFFFAOYSA-N 1 0 350.484 2.078 20 30 FEEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)Nc1nnc(SCc2ccccc2)s1 ZINC000841010993 680859437 /nfs/dbraw/zinc/85/94/37/680859437.db2.gz ZHZZFIMDGHRRJA-NWDGAFQWSA-N 1 0 360.468 2.063 20 30 FEEDRO C[C@@H]1[C@H](C(=O)N[C@H]2CN(Cc3ccc(C#N)s3)CC2(C)C)CC[N@@H+]1C ZINC000974604059 679962728 /nfs/dbraw/zinc/96/27/28/679962728.db2.gz DLPGZRYRNCIZJS-XYPHTWIQSA-N 1 0 360.527 2.287 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](CCC2CCOCC2)C1 ZINC001008842891 679967535 /nfs/dbraw/zinc/96/75/35/679967535.db2.gz AUIKVKNDRRNMEN-QYZOEREBSA-N 1 0 350.503 2.365 20 30 FEEDRO C#CCC[NH+]1CCC(NS(=O)(=O)c2ccc(OC)c(Cl)c2)CC1 ZINC000748671557 679986418 /nfs/dbraw/zinc/98/64/18/679986418.db2.gz CLQQJNCSJAIOAT-UHFFFAOYSA-N 1 0 356.875 2.115 20 30 FEEDRO C=C(Cl)C(C)(C)C(=O)N1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001011184962 680019166 /nfs/dbraw/zinc/01/91/66/680019166.db2.gz CBKZFIBZRNRLFW-LSDHHAIUSA-N 1 0 355.910 2.166 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CCn2cc(Cl)cn2)C1 ZINC001019490862 680094473 /nfs/dbraw/zinc/09/44/73/680094473.db2.gz ALZSCNPBXCTUDE-ULQDDVLXSA-N 1 0 366.893 2.098 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2c(C)nn(C)c2Cl)C1 ZINC001020167794 680101400 /nfs/dbraw/zinc/10/14/00/680101400.db2.gz FONARQSMDMNVNY-KQTLUZQSSA-N 1 0 366.893 2.100 20 30 FEEDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NS(=O)(=O)c1cccc(F)c1C#N ZINC000751499295 680183599 /nfs/dbraw/zinc/18/35/99/680183599.db2.gz WYXLQTAOUSIYSB-MCIONIFRSA-N 1 0 353.463 2.342 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[N@H+](CCC2CCOCC2)CC1 ZINC000981190132 680219858 /nfs/dbraw/zinc/21/98/58/680219858.db2.gz RISJAOQPGBEHLA-MOPGFXCFSA-N 1 0 350.503 2.319 20 30 FEEDRO N#Cc1ccc(C[N@H+]2CCCC3(CN(C(=O)[C@]45C[C@H]4COC5)C3)C2)s1 ZINC000981778567 680251282 /nfs/dbraw/zinc/25/12/82/680251282.db2.gz NLJTYMXMUADWJY-LIRRHRJNSA-N 1 0 357.479 2.081 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](CCc2csc(C)n2)C1 ZINC001023599597 680265107 /nfs/dbraw/zinc/26/51/07/680265107.db2.gz ORSLJZKDJJRXKF-JQHSSLGASA-N 1 0 363.527 2.413 20 30 FEEDRO C[NH+](C)CCn1nnnc1SCC#Cc1ccc(C(F)(F)F)cc1 ZINC000754273925 680347047 /nfs/dbraw/zinc/34/70/47/680347047.db2.gz YYUUSUSNKLRLHU-UHFFFAOYSA-N 1 0 355.389 2.397 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2cc(OC)ns2)C1 ZINC001026850452 680350151 /nfs/dbraw/zinc/35/01/51/680350151.db2.gz WCZRDESCDABKIN-BMFZPTHFSA-N 1 0 365.499 2.071 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](CCC2CCOCC2)C1 ZINC001028548795 680374659 /nfs/dbraw/zinc/37/46/59/680374659.db2.gz HIVSTASWJKKIDC-OTWHNJEPSA-N 1 0 350.503 2.222 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](Cc2cc(F)ccc2F)C1 ZINC001028809143 680382898 /nfs/dbraw/zinc/38/28/98/680382898.db2.gz KQYLNFRDPZIXCI-QBIMZIAESA-N 1 0 350.409 2.494 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2nnc(CC)s2)C1 ZINC000984919637 680396798 /nfs/dbraw/zinc/39/67/98/680396798.db2.gz JLLROJZVMCZOGQ-WSMBLCCSSA-N 1 0 364.515 2.066 20 30 FEEDRO C[C@@H]1[C@H](C(=O)NCC2CN(CC#Cc3cccc(Cl)c3)C2)CC[N@@H+]1C ZINC001031682839 680406636 /nfs/dbraw/zinc/40/66/36/680406636.db2.gz XBPNZWHTAACIGQ-DNVCBOLYSA-N 1 0 359.901 2.080 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC1C[NH+](CCC2CCOCC2)C1 ZINC001032040541 680411777 /nfs/dbraw/zinc/41/17/77/680411777.db2.gz INJOSVRNBAPWIX-OALUTQOASA-N 1 0 350.503 2.222 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC2(CC[N@@H+](C[C@H](CC)OC)C2)CC1 ZINC001035230997 680444661 /nfs/dbraw/zinc/44/46/61/680444661.db2.gz UAUYUEZHICVBII-KSZLIROESA-N 1 0 350.503 2.317 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](CC2CCCC2)CCO1 ZINC001035539964 680450020 /nfs/dbraw/zinc/45/00/20/680450020.db2.gz SCZUZUDGQGHDFW-QYZOEREBSA-N 1 0 350.503 2.365 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2C[C@@H](CC)OC ZINC001039593146 680464218 /nfs/dbraw/zinc/46/42/18/680464218.db2.gz IKBRYVOVBJFZKJ-ZRSRNVLSSA-N 1 0 350.503 2.458 20 30 FEEDRO C=C(C)CC[NH+]1CCC(CNC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)CC1 ZINC001001536327 680466977 /nfs/dbraw/zinc/46/69/77/680466977.db2.gz CWALNLMFDFKWNH-CABCVRRESA-N 1 0 364.408 2.127 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)N1Cc2cccc(Br)c2C1 ZINC000836490290 680476638 /nfs/dbraw/zinc/47/66/38/680476638.db2.gz SCPQHTJPUJVIFE-UHFFFAOYSA-N 1 0 350.260 2.429 20 30 FEEDRO C=C(Cl)C[NH+]1CCC2(CCN(C(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C2)CC1 ZINC001040785921 680487745 /nfs/dbraw/zinc/48/77/45/680487745.db2.gz ADISUVLJRJCYBM-YESZJQIVSA-N 1 0 368.905 2.105 20 30 FEEDRO CC[N@H+](CCNC(=O)C#Cc1ccc2c(c1)OCO2)CCC(F)(F)F ZINC000757619530 680528804 /nfs/dbraw/zinc/52/88/04/680528804.db2.gz XQMNEEVBWINIKH-UHFFFAOYSA-N 1 0 356.344 2.157 20 30 FEEDRO C[N@@H+]1CCCC(N=Nc2ccc(S(=O)(=O)NC3CCCC3)cn2)CC1 ZINC000758107360 680555971 /nfs/dbraw/zinc/55/59/71/680555971.db2.gz NDQSFUDZTYAVGW-UHFFFAOYSA-N 1 0 365.503 2.186 20 30 FEEDRO Cc1nsc(N[C@@H]2CCCC[C@H]2NC(=O)C23CC[NH+](CC2)C3)c1C#N ZINC001045543482 680633411 /nfs/dbraw/zinc/63/34/11/680633411.db2.gz RBTGDSGDIRLNJL-HUUCEWRRSA-N 1 0 359.499 2.258 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCc1ccns1 ZINC001045851044 680641477 /nfs/dbraw/zinc/64/14/77/680641477.db2.gz OEVGADBSRQEJPJ-ATLSCFEFSA-N 1 0 361.511 2.342 20 30 FEEDRO C#CCC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2C[C@H]2C2CCOCC2)C1 ZINC001046956574 680654244 /nfs/dbraw/zinc/65/42/44/680654244.db2.gz ZJBMPKRUYZCKSF-IXDOHACOSA-N 1 0 354.441 2.146 20 30 FEEDRO C=C(C)C[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2C[C@H]2c2cnn(C)c2)C1 ZINC001046976986 680655745 /nfs/dbraw/zinc/65/57/45/680655745.db2.gz IGPTXEPWRCMVBG-HRCADAONSA-N 1 0 352.429 2.173 20 30 FEEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]CC2(O)CCS(=O)(=O)CC2)cc1 ZINC000766144623 680868478 /nfs/dbraw/zinc/86/84/78/680868478.db2.gz OXACZTHHGUSYIO-CQSZACIVSA-N 1 0 373.902 2.408 20 30 FEEDRO CCc1c(NC(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)cnn1-c1cccc(Cl)c1 ZINC000841214621 680869346 /nfs/dbraw/zinc/86/93/46/680869346.db2.gz PCTMYRCKSQETKU-BXUZGUMPSA-N 1 0 358.833 2.321 20 30 FEEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)Nc1ccc(F)cc1OCCC(F)(F)F ZINC000841229896 680870250 /nfs/dbraw/zinc/87/02/50/680870250.db2.gz HAVFDQMNQSTGBU-SKDRFNHKSA-N 1 0 360.311 2.390 20 30 FEEDRO Cc1cc(C[NH2+]C2CCN(S(=O)(=O)C(F)(F)F)CC2)ccc1C#N ZINC000767692010 680922428 /nfs/dbraw/zinc/92/24/28/680922428.db2.gz RTEKDZDVUJDXQU-UHFFFAOYSA-N 1 0 361.389 2.270 20 30 FEEDRO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)[C@H](O)c1ccc(F)cc1 ZINC000843072102 680985905 /nfs/dbraw/zinc/98/59/05/680985905.db2.gz AJUYAHJPGONWDW-ACJLOTCBSA-N 1 0 362.426 2.183 20 30 FEEDRO N#Cc1ccc(OC[C@@H](O)C[NH2+]C[C@H](O)c2c(F)cccc2Cl)cc1 ZINC000843084044 680986607 /nfs/dbraw/zinc/98/66/07/680986607.db2.gz MPPKSSANHPUXIV-GUYCJALGSA-N 1 0 364.804 2.414 20 30 FEEDRO N#CCc1ccc(OC[C@@H](O)C[NH2+]C[C@H](O)c2ccc(Cl)cc2)cc1 ZINC000843107062 680988129 /nfs/dbraw/zinc/98/81/29/680988129.db2.gz PNIWFIDCWLSMBL-HKUYNNGSSA-N 1 0 360.841 2.469 20 30 FEEDRO CSCCNC(=S)NN=C1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000769604273 680988695 /nfs/dbraw/zinc/98/86/95/680988695.db2.gz HRHOFIRQPVMNBZ-ZDUSSCGKSA-N 1 0 351.545 2.107 20 30 FEEDRO CC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)O[C@@H](C)C#CC[NH+](CC)CC ZINC000770804941 681027844 /nfs/dbraw/zinc/02/78/44/681027844.db2.gz HKBOOTWFFKRPBO-HRCADAONSA-N 1 0 354.516 2.211 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CCc1ccns1 ZINC001049732656 681038006 /nfs/dbraw/zinc/03/80/06/681038006.db2.gz PJSIOHCRDCGQQS-OWSLCNJRSA-N 1 0 361.511 2.342 20 30 FEEDRO C=C(Br)CNC(=O)N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000771211742 681047231 /nfs/dbraw/zinc/04/72/31/681047231.db2.gz GRTCTORTVDQOSV-UHFFFAOYSA-N 1 0 373.339 2.095 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)O[C@@H]2CCN(c3ccc(Cl)cc3)C2=O)CC1 ZINC000772109965 681086033 /nfs/dbraw/zinc/08/60/33/681086033.db2.gz LNIITUATXHTGQD-QGZVFWFLSA-N 1 0 360.841 2.334 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)O[C@H](C)C(=O)Nc2c(F)cccc2F)CC1 ZINC000772109146 681086099 /nfs/dbraw/zinc/08/60/99/681086099.db2.gz IMOUJJKJTVGASF-GFCCVEGCSA-N 1 0 350.365 2.180 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCC2(C[NH+](CC(CC)CC)C2)O1 ZINC001053663705 681102849 /nfs/dbraw/zinc/10/28/49/681102849.db2.gz ZHWNHNKTIMPISI-KURKYZTESA-N 1 0 350.503 2.363 20 30 FEEDRO CC[C@@H](C(=O)N1C[C@@H](CNc2ncc(C#N)cc2Cl)[C@H](C)C1)[NH+](C)C ZINC001054421336 681108315 /nfs/dbraw/zinc/10/83/15/681108315.db2.gz ZFBUKOLXUDDVND-XPKDYRNWSA-N 1 0 363.893 2.453 20 30 FEEDRO Cc1nsc(NC[C@@H]2CN(C(=O)C[N@H+]3CC[C@H](C)C3)C[C@H]2C)c1C#N ZINC001054569074 681113225 /nfs/dbraw/zinc/11/32/25/681113225.db2.gz AZUWWLJPEXOGGK-GZBFAFLISA-N 1 0 361.515 2.171 20 30 FEEDRO C[C@@H]1[C@H](C(=O)N2CCC[C@@H](Nc3snc(Cl)c3C#N)C2)CC[N@@H+]1C ZINC001057771173 681164165 /nfs/dbraw/zinc/16/41/65/681164165.db2.gz WJRXEEWFCCJYFU-IJLUTSLNSA-N 1 0 367.906 2.411 20 30 FEEDRO CC[NH+](CC)Cc1cc(C(C)=NNCC(C)(C)S(C)(=O)=O)ccc1O ZINC000774483712 681194110 /nfs/dbraw/zinc/19/41/10/681194110.db2.gz QTYATXCSEUHJHY-UHFFFAOYSA-N 1 0 369.531 2.371 20 30 FEEDRO C[C@H](CNC(=O)Nc1ccc(C#N)cc1I)[NH+](C)C ZINC000932556585 681265495 /nfs/dbraw/zinc/26/54/95/681265495.db2.gz MWPPDGZLTKCBLO-SECBINFHSA-N 1 0 372.210 2.234 20 30 FEEDRO COc1ccc(-c2nc(C)c(C(=O)N[C@@H]3C[NH2+]C[C@H]3C#N)s2)c(F)c1 ZINC000846678402 681275132 /nfs/dbraw/zinc/27/51/32/681275132.db2.gz SSDMNCXFSZYCIR-QMTHXVAHSA-N 1 0 360.414 2.108 20 30 FEEDRO C=C(C)[C@@H](CO)[NH+]1CCC2(CO[C@@H](CNC(=O)OC(C)(C)C)C2)CC1 ZINC000932681062 681285562 /nfs/dbraw/zinc/28/55/62/681285562.db2.gz WQNKRORNDRZJLQ-HZPDHXFCSA-N 1 0 354.491 2.319 20 30 FEEDRO COc1cccc([C@H](CNC(=O)N[C@@H](CC#N)C(F)(F)F)[NH+](C)C)c1 ZINC000932928912 681329983 /nfs/dbraw/zinc/32/99/83/681329983.db2.gz VAQLPHMYWBITDV-KBPBESRZSA-N 1 0 358.364 2.442 20 30 FEEDRO C#CCN1CCN(C(=O)C[NH2+][C@H](c2ccc(Cl)cc2)[C@H]2C[C@@H]2C)CC1 ZINC000776026565 681357081 /nfs/dbraw/zinc/35/70/81/681357081.db2.gz OQJWFPRRUWGZOA-ZAAXVRCTSA-N 1 0 359.901 2.404 20 30 FEEDRO CS(=O)(=O)N1CCC[C@H](C[NH+]2CCC(c3ccc(C#N)cc3)CC2)C1 ZINC000933611656 681441141 /nfs/dbraw/zinc/44/11/41/681441141.db2.gz AQHMODVPXWMXMQ-QGZVFWFLSA-N 1 0 361.511 2.409 20 30 FEEDRO C[N@@H+]1C[C@@H]2CN(CC(=O)[C@@H](C#N)c3nc4ccccc4s3)C[C@]2(C)C1 ZINC000933735041 681459519 /nfs/dbraw/zinc/45/95/19/681459519.db2.gz IWRCCCWPIVDPNJ-LPMFXHHGSA-N 1 0 354.479 2.356 20 30 FEEDRO C=CC1(CC(=O)NCC[N@H+]2CC[C@@H](C)C2)CN(C(=O)OC(C)(C)C)C1 ZINC000933929610 681486227 /nfs/dbraw/zinc/48/62/27/681486227.db2.gz PPEZXTZLQLYACS-OAHLLOKOSA-N 1 0 351.491 2.258 20 30 FEEDRO CC[NH+](CC)[C@@H](CNS(=O)(=O)CC(C)(C)C#N)Cc1ccccc1 ZINC000777817265 681534315 /nfs/dbraw/zinc/53/43/15/681534315.db2.gz DTKASPRSMPJCDF-QGZVFWFLSA-N 1 0 351.516 2.409 20 30 FEEDRO C[NH+](C)CCCNC(=S)NN=C1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000848405213 681536470 /nfs/dbraw/zinc/53/64/70/681536470.db2.gz CVGYVCSYPLADHU-ZDUSSCGKSA-N 1 0 371.551 2.226 20 30 FEEDRO C=C(Cl)CN1CCC2(CC1)CN(C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)CCO2 ZINC000949098732 681617450 /nfs/dbraw/zinc/61/74/50/681617450.db2.gz BJPSQVFHJVFOGE-DLBZAZTESA-N 1 0 369.937 2.163 20 30 FEEDRO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCC(CN=[S@](C)(=O)N(C)C)CC1 ZINC000934750017 681620761 /nfs/dbraw/zinc/62/07/61/681620761.db2.gz KVVRNNSPUFPHDE-LMKMVOKYSA-N 1 0 372.579 2.086 20 30 FEEDRO CN(C)C(NCc1ccc2c(c1)CCS2(=O)=O)=[NH+]Cc1ccccc1 ZINC000849087638 681651537 /nfs/dbraw/zinc/65/15/37/681651537.db2.gz GVMFUZZXGHYAQX-UHFFFAOYSA-N 1 0 357.479 2.224 20 30 FEEDRO COC(=O)c1coc(C(=O)C(C(=S)NCC2CC2)[n+]2ccccc2)c1 ZINC000849175179 681663843 /nfs/dbraw/zinc/66/38/43/681663843.db2.gz AAYMWDPOFWTLQQ-UHFFFAOYSA-O 1 0 359.427 2.292 20 30 FEEDRO C[NH+](C)CCOc1ccc(CCC(=O)NC2(C#N)CCSCC2)cc1 ZINC000935081597 681684241 /nfs/dbraw/zinc/68/42/41/681684241.db2.gz UUDSEAYCUSKXGT-UHFFFAOYSA-N 1 0 361.511 2.465 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H](C)CCNC(=O)OC(C)(C)C)CC1 ZINC000779351002 681707116 /nfs/dbraw/zinc/70/71/16/681707116.db2.gz MDHDURMLTVSINY-AWEZNQCLSA-N 1 0 354.495 2.239 20 30 FEEDRO C[N@@H+]1CCC[C@](O)(CC(=O)N[C@H](c2cccc(C#N)c2)C(F)(F)F)C1 ZINC000913782039 685485116 /nfs/dbraw/zinc/48/51/16/685485116.db2.gz IRNTUYGWPKBPEN-CVEARBPZSA-N 1 0 355.360 2.125 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC2(CC1)CC[NH+](CCO)CC2 ZINC000957618605 681910811 /nfs/dbraw/zinc/91/08/11/681910811.db2.gz CBYYLSZJLCRVSJ-ROUUACIJSA-N 1 0 350.503 2.055 20 30 FEEDRO Cc1cc(C#N)cc(C)c1CS(=O)(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000914168191 685496909 /nfs/dbraw/zinc/49/69/09/685496909.db2.gz CUGSPQDJFRNUCS-QGZVFWFLSA-N 1 0 361.511 2.423 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3c(C)nsc3C)C[C@H]21 ZINC000959945456 682012636 /nfs/dbraw/zinc/01/26/36/682012636.db2.gz KPSDEVXXJSRKRQ-MWIANEHASA-N 1 0 361.511 2.288 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]Cc1csnc1OC ZINC000960140226 682029509 /nfs/dbraw/zinc/02/95/09/682029509.db2.gz VVFJIVWQFBRFJB-XHSDSOJGSA-N 1 0 365.499 2.214 20 30 FEEDRO N#CCc1ccc(OC[C@@H](O)C[NH2+]C[C@H](O)c2cccc(Cl)c2)cc1 ZINC000915227675 685513369 /nfs/dbraw/zinc/51/33/69/685513369.db2.gz YCBJHTQXWPTOFT-HKUYNNGSSA-N 1 0 360.841 2.469 20 30 FEEDRO C=C(Br)CNC(=O)N[C@H]1C[NH2+]CC[C@H]1c1cccc(F)c1 ZINC000851655906 682101897 /nfs/dbraw/zinc/10/18/97/682101897.db2.gz CEIZDALSUJNQBZ-KBPBESRZSA-N 1 0 356.239 2.479 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CCC([NH2+]Cc2snnc2C)CC1 ZINC000963926642 682151242 /nfs/dbraw/zinc/15/12/42/682151242.db2.gz SKILRVNTKDVAFP-FJBKBRRZSA-N 1 0 364.515 2.297 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)NCC[C@@H](N(C)C)C(F)(F)F)CC1 ZINC000917098330 685529666 /nfs/dbraw/zinc/52/96/66/685529666.db2.gz UNADJKDSNOCAOU-CQSZACIVSA-N 1 0 350.429 2.209 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](CCc2csc(C)n2)C1 ZINC000969691495 682272834 /nfs/dbraw/zinc/27/28/34/682272834.db2.gz HHVUFPBEBGWNKC-VHSSKADRSA-N 1 0 363.527 2.412 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)NCCc2ccc(Br)cc2)CC1 ZINC000919191941 685545148 /nfs/dbraw/zinc/54/51/48/685545148.db2.gz GXPBOZZMCYMBIZ-UHFFFAOYSA-N 1 0 364.287 2.388 20 30 FEEDRO C#CCN(CC(=O)OC(C)(C)C)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000853248032 682398355 /nfs/dbraw/zinc/39/83/55/682398355.db2.gz KDPVDRQRFDOBIV-UHFFFAOYSA-N 1 0 351.491 2.095 20 30 FEEDRO C#CCN(CC(=O)OC(C)(C)C)C(=O)NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000853347166 682407284 /nfs/dbraw/zinc/40/72/84/682407284.db2.gz FWZZRKASDOYUSR-JKSUJKDBSA-N 1 0 351.491 2.093 20 30 FEEDRO C=C(Cl)C(C)(C)C(=O)N1CC[C@@H]2CN(C(=O)C[N@@H+](C)C3CCC3)[C@@H]2C1 ZINC000972738716 682432667 /nfs/dbraw/zinc/43/26/67/682432667.db2.gz FRZWUISAXMYQHP-GDBMZVCRSA-N 1 0 367.921 2.309 20 30 FEEDRO NC(=[NH+]OCCC1SCCS1)c1ccc(N2CCC(O)CC2)cc1 ZINC000853673193 682455017 /nfs/dbraw/zinc/45/50/17/682455017.db2.gz SBKIKSRBVPGFSL-UHFFFAOYSA-N 1 0 367.540 2.481 20 30 FEEDRO C[NH+](C)CCCNC(=S)NN=C1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000788430495 682529407 /nfs/dbraw/zinc/52/94/07/682529407.db2.gz VMGSVSNCDOLAOM-UHFFFAOYSA-N 1 0 363.487 2.396 20 30 FEEDRO C[NH+](C)[C@H](CNS(=O)(=O)c1cccc(F)c1C#N)C1CCCCC1 ZINC000788882316 682561994 /nfs/dbraw/zinc/56/19/94/682561994.db2.gz RKAWMDVQJAXLPK-MRXNPFEDSA-N 1 0 353.463 2.486 20 30 FEEDRO C#C[C@@H](CCC)NC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000792448108 682811400 /nfs/dbraw/zinc/81/14/00/682811400.db2.gz GUMVOBPSJRACJO-ZDUSSCGKSA-N 1 0 365.861 2.137 20 30 FEEDRO CC(C)(C#N)C[C@@H](O)C[NH2+]C[C@H](O)c1cc(Cl)c2c(c1)OCCO2 ZINC000857242793 682868467 /nfs/dbraw/zinc/86/84/67/682868467.db2.gz NEHUKCHMQAGAPA-OCCSQVGLSA-N 1 0 354.834 2.035 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1cc(Br)cnc1F ZINC000858776158 683001674 /nfs/dbraw/zinc/00/16/74/683001674.db2.gz QOAVRFPVNJMUEI-UHFFFAOYSA-N 1 0 357.227 2.291 20 30 FEEDRO C=C1CCC(C[NH2+][C@@H](C)c2ccc(S(=O)(=O)CC(N)=O)cc2)CC1 ZINC000926926383 683186418 /nfs/dbraw/zinc/18/64/18/683186418.db2.gz XFOVXRJVOVDOSA-AWEZNQCLSA-N 1 0 350.484 2.343 20 30 FEEDRO C=C1CCC(C[NH2+][C@H](C)c2ccc(S(=O)(=O)CC(N)=O)cc2)CC1 ZINC000926926386 683186469 /nfs/dbraw/zinc/18/64/69/683186469.db2.gz XFOVXRJVOVDOSA-CQSZACIVSA-N 1 0 350.484 2.343 20 30 FEEDRO C[C@@H]([NH2+]CCNc1ccc(C#N)cn1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000927166257 683213502 /nfs/dbraw/zinc/21/35/02/683213502.db2.gz UXSBRDULMIDQQD-GFCCVEGCSA-N 1 0 362.430 2.259 20 30 FEEDRO C[C@H]1CN(S(=O)(=O)Cc2csc(C#N)c2)CCN1c1cc[nH+]cc1 ZINC000919714800 683293654 /nfs/dbraw/zinc/29/36/54/683293654.db2.gz AXQJSOPTGVLNBN-ZDUSSCGKSA-N 1 0 362.480 2.055 20 30 FEEDRO C[NH2+]CCN(C(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N)C(C)C ZINC000927867166 683328190 /nfs/dbraw/zinc/32/81/90/683328190.db2.gz KWZBZGOYNODGEJ-CQSZACIVSA-N 1 0 362.499 2.476 20 30 FEEDRO C=CCN1CC[C@H]([N@H+](C)C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1=O ZINC000798956581 683408103 /nfs/dbraw/zinc/40/81/03/683408103.db2.gz DTBBUXFWLBOCET-CVEARBPZSA-N 1 0 351.491 2.352 20 30 FEEDRO CCN(C[C@H](C)C#N)S(=O)(=O)NC1CCC(C)([NH+]2CCCC2)CC1 ZINC000921279751 683412961 /nfs/dbraw/zinc/41/29/61/683412961.db2.gz CNPOUYFQULNGEA-KLAILNCOSA-N 1 0 356.536 2.099 20 30 FEEDRO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](C)[C@H]2CNC(=O)OC(C)(C)C)C1=O ZINC000799124919 683425280 /nfs/dbraw/zinc/42/52/80/683425280.db2.gz BFQBRNKIJFDBSS-OWCLPIDISA-N 1 0 351.491 2.399 20 30 FEEDRO C[NH+](C)CC[C@@H](NS(=O)(=O)CC1(C#N)CCCC1)c1cccnc1 ZINC000921480564 683481277 /nfs/dbraw/zinc/48/12/77/683481277.db2.gz MYHRWYOWJCGYPU-MRXNPFEDSA-N 1 0 350.488 2.078 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)[C@H](OC)c2ccccc2Br)CC1 ZINC000928650022 683481360 /nfs/dbraw/zinc/48/13/60/683481360.db2.gz WWAQWQQAGJXIPZ-MRXNPFEDSA-N 1 0 365.271 2.350 20 30 FEEDRO C[C@@H](CN1CCN(C)CC1)[NH2+]Cc1cc(C#N)ccc1Br ZINC000921705703 683550985 /nfs/dbraw/zinc/55/09/85/683550985.db2.gz VYVLVMXGRRUBBY-ZDUSSCGKSA-N 1 0 351.292 2.046 20 30 FEEDRO C#CCN(C(=O)C(=O)N[C@H](C)c1ccc(Cl)cc1)C1CC[NH+](C)CC1 ZINC000929173733 683557414 /nfs/dbraw/zinc/55/74/14/683557414.db2.gz AVNOEAOOLZQMKQ-CQSZACIVSA-N 1 0 361.873 2.073 20 30 FEEDRO CN(C)S(=O)(=O)Cc1ccc(C[NH2+]Cc2ccc(C#N)cc2F)cc1 ZINC000922452879 683725741 /nfs/dbraw/zinc/72/57/41/683725741.db2.gz JNAJHWZKRLBSMO-UHFFFAOYSA-N 1 0 361.442 2.379 20 30 FEEDRO C=CCOc1ccc(C[NH2+]C[C@@]2(OC)CCS(=O)(=O)C2)cc1Cl ZINC000922615842 683754773 /nfs/dbraw/zinc/75/47/73/683754773.db2.gz PBYMGWKNMQWRFN-INIZCTEOSA-N 1 0 359.875 2.198 20 30 FEEDRO C=C(C)COc1cc(C[NH2+]C(C)(C)CNS(C)(=O)=O)ccc1OC ZINC000922637471 683759284 /nfs/dbraw/zinc/75/92/84/683759284.db2.gz GBEDYPQXBNFZJD-UHFFFAOYSA-N 1 0 356.488 2.068 20 30 FEEDRO CN(CC[N@H+](C)CC1CCC(C#N)CC1)c1ccc(S(N)(=O)=O)cc1 ZINC000930608031 683759652 /nfs/dbraw/zinc/75/96/52/683759652.db2.gz LWVBRVLDJPTICI-UHFFFAOYSA-N 1 0 364.515 2.032 20 30 FEEDRO N#Cc1cc(Cl)cc(CN2CCC(N3CCCS3(=O)=O)CC2)c1 ZINC000930708547 683773897 /nfs/dbraw/zinc/77/38/97/683773897.db2.gz PJNRIODPZBBQIR-UHFFFAOYSA-N 1 0 353.875 2.212 20 30 FEEDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NS(=O)(=O)C2CC2)cc1C#N ZINC000865742149 684021743 /nfs/dbraw/zinc/02/17/43/684021743.db2.gz OWFYXDCYHLSXSF-IAGOWNOFSA-N 1 0 363.483 2.049 20 30 FEEDRO C=CCOc1ccc(C[NH2+]C[C@@]23COC(=O)N2CCOC3)cc1Cl ZINC000865770137 684026082 /nfs/dbraw/zinc/02/60/82/684026082.db2.gz OMQDKPLNWNVPII-QGZVFWFLSA-N 1 0 352.818 2.216 20 30 FEEDRO CC(C)[NH+]1CCC(CCNc2cccc(S(N)(=O)=O)c2C#N)CC1 ZINC000866086286 684069965 /nfs/dbraw/zinc/06/99/65/684069965.db2.gz VGYGIMOYRSTRQP-UHFFFAOYSA-N 1 0 350.488 2.128 20 30 FEEDRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)C2(C#N)CCSCC2)CC1 ZINC000931301661 684257995 /nfs/dbraw/zinc/25/79/95/684257995.db2.gz XVECLBVYGVURHQ-IRXDYDNUSA-N 1 0 364.559 2.040 20 30 FEEDRO C[NH+](C)CC#CCNC(=O)Nc1cc(F)c(Cl)cc1N1CCOCC1 ZINC000931451362 684285033 /nfs/dbraw/zinc/28/50/33/684285033.db2.gz JJDSORJNVRKQOX-UHFFFAOYSA-N 1 0 368.840 2.002 20 30 FEEDRO C=C(Cl)C[C@@H](NS(=O)(=O)c1ccc(C[NH+](C)C)cc1)C(=O)OCC ZINC000867592329 684324227 /nfs/dbraw/zinc/32/42/27/684324227.db2.gz YTZZYLCRFDQRNM-OAHLLOKOSA-N 1 0 374.890 2.101 20 30 FEEDRO N#CCc1ccccc1S(=O)(=O)N[C@H]1C[C@@](C[NH3+])(c2ccccc2)C1 ZINC000923740346 684344069 /nfs/dbraw/zinc/34/40/69/684344069.db2.gz LRVWDTUDABXSAU-IZAXUBKRSA-N 1 0 355.463 2.090 20 30 FEEDRO C=CC1(CC(=O)NC[C@@H](C)[N@H+](C)C2CC2)CN(C(=O)OC(C)(C)C)C1 ZINC000931778728 684346788 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20 30 FEEDRO N#CC1(C[C@H](O)C[NH2+][C@H]2COc3cccc(Br)c3C2)CC1 ZINC000872235266 684930283 /nfs/dbraw/zinc/93/02/83/684930283.db2.gz QHSVKYFZQJDEGD-NEPJUHHUSA-N 1 0 351.244 2.397 20 30 FEEDRO N#Cc1ccccc1OC[C@H](O)C[NH2+]C[C@@H](O)Cc1cccc(Cl)c1 ZINC000872248498 684932124 /nfs/dbraw/zinc/93/21/24/684932124.db2.gz WAEZGUBMURVKEV-ZWKOTPCHSA-N 1 0 360.841 2.145 20 30 FEEDRO COC1CC[NH+](C(C)(C)CNS(=O)(=O)c2ccc(C)cc2C#N)CC1 ZINC000872447900 684951090 /nfs/dbraw/zinc/95/10/90/684951090.db2.gz YXYDZLBETUNIGJ-UHFFFAOYSA-N 1 0 365.499 2.034 20 30 FEEDRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000872661966 684999755 /nfs/dbraw/zinc/99/97/55/684999755.db2.gz BAKAUZLFEMLOQH-ZIAGYGMSSA-N 1 0 373.400 2.434 20 30 FEEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@@H]2CCCS(=O)(=O)CC2)ccc1OC ZINC000873049200 685058728 /nfs/dbraw/zinc/05/87/28/685058728.db2.gz CCUNYAODOXBIJU-HZPDHXFCSA-N 1 0 366.483 2.433 20 30 FEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1ccccc1C(=O)NC[C@@H]1CCCO1 ZINC000876568207 686221285 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FEEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)C1(c2cc(Cl)cc(Br)c2)CC1 ZINC000876803211 686272454 /nfs/dbraw/zinc/27/24/54/686272454.db2.gz VMNUGKOEQVPEMP-ZANVPECISA-N 1 0 368.662 2.362 20 30 FEEDRO CC[C@H](C#N)Oc1cc(C[NH2+]CC2CCS(=O)(=O)CC2)ccc1OC ZINC000877029523 686313977 /nfs/dbraw/zinc/31/39/77/686313977.db2.gz FZRMDQHJMGFNMG-MRXNPFEDSA-N 1 0 366.483 2.291 20 30 FEEDRO N#CC1CCC([NH2+]CC2CCN(S(=O)(=O)C(F)(F)F)CC2)CC1 ZINC000877028982 686314019 /nfs/dbraw/zinc/31/40/19/686314019.db2.gz MCHNORFXEFHGQC-UHFFFAOYSA-N 1 0 353.410 2.220 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@](C)(Cc1ccc(Cl)cc1)C(=O)OC ZINC000877205244 686339779 /nfs/dbraw/zinc/33/97/79/686339779.db2.gz CRKSHEKOOOSNDL-BBRMVZONSA-N 1 0 359.253 2.400 20 30 FEEDRO CO[C@]1(C(F)(F)F)CC[N@H+](C[C@H](O)COc2ccc(CC#N)cc2)C1 ZINC000880301674 687029538 /nfs/dbraw/zinc/02/95/38/687029538.db2.gz WPYVZSAQSWVICQ-GOEBONIOSA-N 1 0 358.360 2.146 20 30 FEEDRO C=CCCc1ccc(S(=O)(=O)NCC2([NH+](C)C)CCOCC2)cc1 ZINC000881895488 687251186 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N#C[C@@H]1C[NH2+]CC12CC(C(=O)NC[C@H](O)c1c(Cl)cccc1Cl)C2 ZINC000884151060 687801999 /nfs/dbraw/zinc/80/19/99/687801999.db2.gz COCDRCNBSHNZIG-APZPJJSNSA-N 1 0 368.264 2.282 20 30 FEEDRO N#C[C@@H]1C[NH2+]CC12CC(C(=O)NC[C@@H](O)c1c(Cl)cccc1Cl)C2 ZINC000884151061 687802117 /nfs/dbraw/zinc/80/21/17/687802117.db2.gz COCDRCNBSHNZIG-IWQRBREISA-N 1 0 368.264 2.282 20 30 FEEDRO C[C@H](c1ccsc1)N1CCN(C(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)CC1 ZINC000884320947 687847538 /nfs/dbraw/zinc/84/75/38/687847538.db2.gz BGJSBNHCLFKLHO-BBPFYFEFSA-N 1 0 358.511 2.093 20 30 FEEDRO N#Cc1cc(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)ccc1C(F)(F)F ZINC000884957414 687974905 /nfs/dbraw/zinc/97/49/05/687974905.db2.gz PXNFSOQLJDTRKR-CHWSQXEVSA-N 1 0 373.400 2.482 20 30 FEEDRO Cc1cc(C#N)ccc1S(=O)(=O)N1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000885845858 688167167 /nfs/dbraw/zinc/16/71/67/688167167.db2.gz UWVJSHYXTBGEQH-HNNXBMFYSA-N 1 0 356.451 2.161 20 30 FEEDRO C#CCN1CCC[C@@H]([NH2+][C@@H](C)c2ccc(S(=O)(=O)C(F)F)cc2)C1 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JNNZIEFCUQXCKA-FUHWJXTLSA-N 1 0 362.499 2.335 20 30 FEEDRO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@@H]1CCCN(O)C1=O ZINC000895162754 689669895 /nfs/dbraw/zinc/66/98/95/689669895.db2.gz NLXNLGUSLVZSGW-GXFFZTMASA-N 1 0 370.247 2.136 20 30 FEEDRO C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@@H]1CCCN(O)C1=O ZINC000895162492 689669929 /nfs/dbraw/zinc/66/99/29/689669929.db2.gz LYXFFLZRQPTING-GXFFZTMASA-N 1 0 359.348 2.392 20 30 FEEDRO C=CCC1([NH2+]Cc2c(I)cnn2C)CCOCC1 ZINC000895258048 689685752 /nfs/dbraw/zinc/68/57/52/689685752.db2.gz AUXUTPJPCOSOGI-UHFFFAOYSA-N 1 0 361.227 2.240 20 30 FEEDRO C#C[C@@H](NC(=O)N1CCN(C)CC[N@@H+](C)CC1)c1ccc(Cl)cc1F ZINC000895693422 689755933 /nfs/dbraw/zinc/75/59/33/689755933.db2.gz ZISSLTBPSSZUPX-QGZVFWFLSA-N 1 0 366.868 2.042 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)c2nn3c(c2Br)CCC3)CC1 ZINC000896209341 689838221 /nfs/dbraw/zinc/83/82/21/689838221.db2.gz YQEMPZGCHMTLBI-UHFFFAOYSA-N 1 0 367.291 2.362 20 30 FEEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]CCc1ccccc1S(C)(=O)=O ZINC000896814281 689933726 /nfs/dbraw/zinc/93/37/26/689933726.db2.gz LNCREMAEBOJFLQ-HNNXBMFYSA-N 1 0 350.484 2.321 20 30 FEEDRO N#Cc1cc(F)c(N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)cc1Br ZINC000897218492 689989537 /nfs/dbraw/zinc/98/95/37/689989537.db2.gz DICAWGLXNVRFFC-GJZGRUSLSA-N 1 0 368.250 2.495 20 30 FEEDRO N#Cc1c(Br)cccc1N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000897220607 689990168 /nfs/dbraw/zinc/99/01/68/689990168.db2.gz CCHMAMXAQPPWDW-HOTGVXAUSA-N 1 0 350.260 2.356 20 30 FEEDRO N#CC1(c2ccccc2)CCC([NH2+]CCS(=O)(=O)N2CCCC2)CC1 ZINC000897830900 690087439 /nfs/dbraw/zinc/08/74/39/690087439.db2.gz UWJHQNDFHCGSTF-UHFFFAOYSA-N 1 0 361.511 2.406 20 30 FEEDRO CCCC[C@@H](ON=C(C)C)C(=O)N1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000898116096 690130241 /nfs/dbraw/zinc/13/02/41/690130241.db2.gz ZGQFTKOBBPJORT-QGZVFWFLSA-N 1 0 353.507 2.311 20 30 FEEDRO N#Cc1ccc(NC(=S)N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)cc1Cl ZINC000899663763 690401623 /nfs/dbraw/zinc/40/16/23/690401623.db2.gz GCOSOXJMTVHSSY-JKSUJKDBSA-N 1 0 364.902 2.439 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)c2c[nH]cc3nc(C(F)(F)F)nc2-3)CC1 ZINC000900597868 690536765 /nfs/dbraw/zinc/53/67/65/690536765.db2.gz AYHICQZWWJVASH-UHFFFAOYSA-N 1 0 353.348 2.357 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)NCc1cccc(CN2C(=O)CSC2=O)c1 ZINC000901192264 690623537 /nfs/dbraw/zinc/62/35/37/690623537.db2.gz JSTUUPMONYKEPE-UHFFFAOYSA-N 1 0 361.467 2.006 20 30 FEEDRO C[C@H](NCC(C)(C)C#N)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000903100185 690844003 /nfs/dbraw/zinc/84/40/03/690844003.db2.gz JJOGTZNYWDEUDQ-HNNXBMFYSA-N 1 0 366.531 2.117 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H]1C[C@@H](NC(=O)OC(C)(C)C)C12CCOCC2 ZINC000903180093 690862015 /nfs/dbraw/zinc/86/20/15/690862015.db2.gz XHPOGBZLNUBMJK-FXUDXRNXSA-N 1 0 352.475 2.382 20 30 FEEDRO N#Cc1sc2ccccc2c1S(=O)(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000903499882 690902213 /nfs/dbraw/zinc/90/22/13/690902213.db2.gz OCPYKIUPJHGDEU-LBPRGKRZSA-N 1 0 357.407 2.048 20 30 FEEDRO C[NH2+]C[C@@H]1CCCCN1S(=O)(=O)c1ccc(Br)c(C#N)c1 ZINC000903520350 690909299 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20 30 FEEDRO C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)c3c(C#N)sc4ccccc43)C[C@@H]2C1 ZINC000907262164 691435181 /nfs/dbraw/zinc/43/51/81/691435181.db2.gz MUOUXXKYCZEHOD-OLZOCXBDSA-N 1 0 361.492 2.345 20 30 FEEDRO C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)c3c(C#N)sc4ccccc43)CC[C@@H]21 ZINC000907319494 691451544 /nfs/dbraw/zinc/45/15/44/691451544.db2.gz ZPRHJAPKZJIUAQ-OCCSQVGLSA-N 1 0 361.492 2.488 20 30 FEEDRO N#Cc1c(Cl)c2cc(F)c(F)cc2nc1N1CCN2CC[NH2+]C[C@H]2C1 ZINC001164399959 718844629 /nfs/dbraw/zinc/84/46/29/718844629.db2.gz LVRHEQFOSAXGRQ-JTQLQIEISA-N 1 0 363.799 2.132 20 30 FEEDRO C[N@@H+]1CCO[C@@H]2CN(c3cc(F)c(C#N)cc3-c3ccnc(Cl)n3)C[C@@H]21 ZINC001164668051 719396962 /nfs/dbraw/zinc/39/69/62/719396962.db2.gz PTBRLYDUCJUUOZ-DLBZAZTESA-N 1 0 373.819 2.327 20 30 FEEDRO C[N@@H+]1CCO[C@H]2CN(c3cnc(Cl)nc3Oc3ccc(C#N)cc3)C[C@H]21 ZINC001164668957 719479851 /nfs/dbraw/zinc/47/98/51/719479851.db2.gz RUBVNNYFOPXPDX-CVEARBPZSA-N 1 0 371.828 2.313 20 30 FEEDRO N#Cc1cnc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)cn1 ZINC001164694726 719888229 /nfs/dbraw/zinc/88/82/29/719888229.db2.gz DJPLRGQVFCOHEK-UHFFFAOYSA-N 1 0 355.467 2.281 20 30 FEEDRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)cnc1C#N)C2 ZINC001164815344 720087554 /nfs/dbraw/zinc/08/75/54/720087554.db2.gz YIHUUWGYOOYXIF-RDTXWAMCSA-N 1 0 361.877 2.186 20 30 FEEDRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncc([N+](=O)[O-])cc1C#N)C2 ZINC001164807461 720104598 /nfs/dbraw/zinc/10/45/98/720104598.db2.gz CMUIPLQGKILHOY-APWZRJJASA-N 1 0 371.441 2.046 20 30 FEEDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc(OC)cc(C#N)n1)C2 ZINC001164816174 720123463 /nfs/dbraw/zinc/12/34/63/720123463.db2.gz YBNZLRZNIBERBV-OXJNMPFZSA-N 1 0 356.470 2.147 20 30 FEEDRO Cc1cnc(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c(C#N)c1 ZINC001164821396 720296985 /nfs/dbraw/zinc/29/69/85/720296985.db2.gz KNGMBVCCLAAJCD-RTBURBONSA-N 1 0 367.497 2.173 20 30 FEEDRO N#Cc1cc(Cl)nc(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)c1 ZINC001164733491 720548293 /nfs/dbraw/zinc/54/82/93/720548293.db2.gz NZADQAQYKFRRNJ-UHFFFAOYSA-N 1 0 356.861 2.462 20 30 FEEDRO CC(C)[N@H+]1[C@@H]2CCN(c3cncc(CC#N)n3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164843583 720586440 /nfs/dbraw/zinc/58/64/40/720586440.db2.gz YIFXNDLXWFAPBY-YTQUADARSA-N 1 0 365.485 2.117 20 30 FEEDRO COCC[N@@H+]1CCO[C@@H]2CN(c3cc(C#N)c4ccccc4n3)CC[C@H]2C1 ZINC001164861772 720875160 /nfs/dbraw/zinc/87/51/60/720875160.db2.gz QFVNZQMSECEMHY-OXJNMPFZSA-N 1 0 366.465 2.280 20 30 FEEDRO N#Cc1cnc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)c(Cl)c1 ZINC001164870024 721051247 /nfs/dbraw/zinc/05/12/47/721051247.db2.gz VHTDWUQXGDLERV-IRXDYDNUSA-N 1 0 369.856 2.481 20 30 FEEDRO N#Cc1c(Cl)ccnc1N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164871916 721065063 /nfs/dbraw/zinc/06/50/63/721065063.db2.gz ZQNFCZYMABWXIL-JKSUJKDBSA-N 1 0 369.856 2.481 20 30 FEEDRO Cc1ccc(CC#N)c(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164877639 721157568 /nfs/dbraw/zinc/15/75/68/721157568.db2.gz PKRQYJKBGIVVNL-VQTJNVASSA-N 1 0 363.465 2.331 20 30 FEEDRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2nccc(Cl)c2C#N)CC1 ZINC001165011114 721733651 /nfs/dbraw/zinc/73/36/51/721733651.db2.gz LWVQSQRZHCSXGQ-UHFFFAOYSA-N 1 0 361.877 2.130 20 30 FEEDRO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)CNc1ccc(C#N)cn1 ZINC000497864399 883795221 /nfs/dbraw/zinc/79/52/21/883795221.db2.gz SSGBDHLEQUTONY-UHFFFAOYSA-N 1 0 355.417 2.095 20 30 FEEDRO CCc1ccc([C@H](CNC(=O)CNc2ccc(C#N)cn2)[NH+](C)C)cc1 ZINC000498068338 889382685 /nfs/dbraw/zinc/38/26/85/889382685.db2.gz YVTQOCIQYKVOBG-SFHVURJKSA-N 1 0 351.454 2.347 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)Nc1ccc2n[nH]cc2c1)C(C)C ZINC000076240486 542249115 /nfs/dbraw/zinc/24/91/15/542249115.db2.gz NETLTIFKWDEBSA-GOSISDBHSA-N 1 0 369.469 2.316 20 30 FEEDRO Cc1cc(NC(=O)CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)on1 ZINC000025438011 539759894 /nfs/dbraw/zinc/75/98/94/539759894.db2.gz OHTVIZFVDZDKSJ-UHFFFAOYSA-N 1 0 353.426 2.001 20 30 FEEDRO N#Cc1cccc(NC(=O)C(=O)NCCC[N@@H+]2CCc3ccccc3C2)c1 ZINC000041732669 540030808 /nfs/dbraw/zinc/03/08/08/540030808.db2.gz HRRLXGKBIHKUQW-UHFFFAOYSA-N 1 0 362.433 2.061 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)Nc1cccc(C#N)c1)C(C)C ZINC000041856051 540036896 /nfs/dbraw/zinc/03/68/96/540036896.db2.gz FGLZXYUQZAGQLW-GOSISDBHSA-N 1 0 354.454 2.312 20 30 FEEDRO CC[NH+]1CCN(Cc2ccc(CNC(=O)N(C)C[C@@H](C)C#N)cc2)CC1 ZINC000046121471 540243182 /nfs/dbraw/zinc/24/31/82/540243182.db2.gz WXAFLQJRXBGJDA-KRWDZBQOSA-N 1 0 357.502 2.125 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)NCc1nnc2n1CCCC2)C(C)C ZINC000046905575 540276444 /nfs/dbraw/zinc/27/64/44/540276444.db2.gz GMTFINOFJFFQKG-INIZCTEOSA-N 1 0 360.506 2.112 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)CCOCC(F)(F)F ZINC000047011762 540284556 /nfs/dbraw/zinc/28/45/56/540284556.db2.gz KAVGSIBYYXHJMX-UHFFFAOYSA-N 1 0 357.376 2.417 20 30 FEEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000047453562 540312063 /nfs/dbraw/zinc/31/20/63/540312063.db2.gz HLCGPEJKLUSFAS-UHFFFAOYSA-N 1 0 352.438 2.496 20 30 FEEDRO N#CCCCOc1cccc(NC(=O)C(=O)N2CCC[N@@H+]3CCC[C@H]3C2)c1 ZINC000050203203 540403257 /nfs/dbraw/zinc/40/32/57/540403257.db2.gz RPMWZKWJVSGTNQ-KRWDZBQOSA-N 1 0 370.453 2.004 20 30 FEEDRO CN(C(=O)CN1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)c1nccs1 ZINC000052409450 540465245 /nfs/dbraw/zinc/46/52/45/540465245.db2.gz QAAWEAGHUSMWNW-UHFFFAOYSA-N 1 0 369.494 2.185 20 30 FEEDRO C[C@@H]1CCCN(C(=O)CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000055172345 540632835 /nfs/dbraw/zinc/63/28/35/540632835.db2.gz XNQFCRSRWBDRKH-GOSISDBHSA-N 1 0 354.498 2.324 20 30 FEEDRO N#Cc1cc(S(=O)(=O)N2CCN(c3cc[nH+]cc3)CC2)ccc1Cl ZINC000055218438 540636794 /nfs/dbraw/zinc/63/67/94/540636794.db2.gz ZERXDVBPXMODQU-UHFFFAOYSA-N 1 0 362.842 2.118 20 30 FEEDRO CC[N@H+](CCNC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)C1CC1 ZINC000076300638 542257687 /nfs/dbraw/zinc/25/76/87/542257687.db2.gz OFUUKEZPBFFOBS-UHFFFAOYSA-N 1 0 368.359 2.116 20 30 FEEDRO COc1cc(/C=C/C(=O)N2CCC[N@@H+](C3CC3)CC2)ccc1OCC#N ZINC000061605688 541135289 /nfs/dbraw/zinc/13/52/89/541135289.db2.gz NWCZRVHMLKFTEK-XBXARRHUSA-N 1 0 355.438 2.307 20 30 FEEDRO C[C@@H](OC[C@@H]1CCCCO1)C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000065930325 541272565 /nfs/dbraw/zinc/27/25/65/541272565.db2.gz NBACVUQRIWSKCG-XLIONFOSSA-N 1 0 373.497 2.423 20 30 FEEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)S(=O)(=O)c1ccccc1F ZINC000065975265 541275768 /nfs/dbraw/zinc/27/57/68/541275768.db2.gz VLVCLMFGOGGJCJ-UHFFFAOYSA-N 1 0 361.442 2.450 20 30 FEEDRO C[C@@H](CNC(=O)c1ccc(-n2ncc(C#N)c2N)cc1)[N@@H+]1CCCC[C@@H]1C ZINC000066240550 541294642 /nfs/dbraw/zinc/29/46/42/541294642.db2.gz XFWFRDLIHPYHPO-GJZGRUSLSA-N 1 0 366.469 2.319 20 30 FEEDRO C[N@@H+]1CCC[C@@H](CNC(=O)CCC(=O)N(CCC#N)c2ccccc2)C1 ZINC000066638916 541352839 /nfs/dbraw/zinc/35/28/39/541352839.db2.gz VLURTIVPPCQVMN-KRWDZBQOSA-N 1 0 356.470 2.171 20 30 FEEDRO C[NH+](C)CCNC(=O)c1cccc(CNc2ccc([N+](=O)[O-])cc2C#N)c1 ZINC000066816540 541374924 /nfs/dbraw/zinc/37/49/24/541374924.db2.gz HBHPBZAZCUBJSR-UHFFFAOYSA-N 1 0 367.409 2.370 20 30 FEEDRO CCOc1ccc(C#N)cc1NC(=O)C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000067323419 541444962 /nfs/dbraw/zinc/44/49/62/541444962.db2.gz NUXMSQPHVMXPEF-UHFFFAOYSA-N 1 0 372.469 2.276 20 30 FEEDRO CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2cccc(OCCCC#N)c2)C1 ZINC000067393299 541454816 /nfs/dbraw/zinc/45/48/16/541454816.db2.gz AKPAZEXVSHULHF-INIZCTEOSA-N 1 0 372.469 2.156 20 30 FEEDRO C=C(C)COc1cccc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)c1 ZINC000067558422 541479960 /nfs/dbraw/zinc/47/99/60/541479960.db2.gz FAZLSMZTEDYNQK-INIZCTEOSA-N 1 0 359.470 2.427 20 30 FEEDRO CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)C1 ZINC000069412441 541684835 /nfs/dbraw/zinc/68/48/35/541684835.db2.gz UCQSTGSSFSKEQO-DLBZAZTESA-N 1 0 373.476 2.450 20 30 FEEDRO Cc1nc(COc2ccc(C(=O)N(CCC#N)CCC[NH+](C)C)cc2)no1 ZINC000069576406 541698175 /nfs/dbraw/zinc/69/81/75/541698175.db2.gz CYMVLLPLKGAVJV-UHFFFAOYSA-N 1 0 371.441 2.265 20 30 FEEDRO CC(C)[N@@H+]1CCCN(C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CC1 ZINC000069827814 541717175 /nfs/dbraw/zinc/71/71/75/541717175.db2.gz OPKCRLGOVQFLJV-UHFFFAOYSA-N 1 0 370.501 2.048 20 30 FEEDRO C[NH+](C)CCn1c2cc(NC(=O)c3cccc(CC#N)c3)ccc2oc1=O ZINC000069919317 541723608 /nfs/dbraw/zinc/72/36/08/541723608.db2.gz XPUJJDGHMBJCAY-UHFFFAOYSA-N 1 0 364.405 2.474 20 30 FEEDRO C[C@@H](NC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1)c1ccc(C#N)cc1 ZINC000069930972 541724647 /nfs/dbraw/zinc/72/46/47/541724647.db2.gz USFDTTYWDTXPFV-SJLPKXTDSA-N 1 0 356.470 2.373 20 30 FEEDRO C=CCN1C(=O)c2ccc(C(=O)NCCC[NH+]3CCCCC3)cc2C1=O ZINC000072753549 541859963 /nfs/dbraw/zinc/85/99/63/541859963.db2.gz OLGWKUIHGFXLAE-UHFFFAOYSA-N 1 0 355.438 2.074 20 30 FEEDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(CC(=O)N(CCC#N)CCC#N)C1 ZINC000072965793 541899126 /nfs/dbraw/zinc/89/91/26/541899126.db2.gz JINXPQICPKMGQB-RBUKOAKNSA-N 1 0 359.518 2.229 20 30 FEEDRO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)NCCOc1ccc(C#N)cc1 ZINC000073793663 542000378 /nfs/dbraw/zinc/00/03/78/542000378.db2.gz RXUXQTOIEYJKEH-IBGZPJMESA-N 1 0 366.465 2.409 20 30 FEEDRO C/[NH+]=C(/NCc1cn2ccsc2n1)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000073961825 542019555 /nfs/dbraw/zinc/01/95/55/542019555.db2.gz IWDVMZURDHNHLG-MRXNPFEDSA-N 1 0 368.510 2.335 20 30 FEEDRO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCC[C@H](C(=O)Nc2nccs2)C1 ZINC000079886184 542547684 /nfs/dbraw/zinc/54/76/84/542547684.db2.gz UDWUNLLXYAODSG-GJZGRUSLSA-N 1 0 362.499 2.383 20 30 FEEDRO C=CCN1C(=O)c2ccc(C(=O)N3CC[C@@H](C[NH+](CC)CC)C3)cc2C1=O ZINC000081329932 542648926 /nfs/dbraw/zinc/64/89/26/542648926.db2.gz PEEUHWXKZVDSAY-HNNXBMFYSA-N 1 0 369.465 2.273 20 30 FEEDRO C[NH+]1CCC(C#N)(NC(=O)c2ccc(-c3nc(C4CC4)no3)cc2)CC1 ZINC000081734131 542674814 /nfs/dbraw/zinc/67/48/14/542674814.db2.gz WBBVVMLPKLDXKG-UHFFFAOYSA-N 1 0 351.410 2.332 20 30 FEEDRO CC(C)OCC[NH+]1CCC(NC(=O)[C@@H](C)Oc2ccc(C#N)cc2)CC1 ZINC000081998055 542682449 /nfs/dbraw/zinc/68/24/49/542682449.db2.gz NASFGOBUCDHSHR-MRXNPFEDSA-N 1 0 359.470 2.331 20 30 FEEDRO C[NH+]=C(NCc1cccc(-n2cncn2)c1)N[C@@H]1CCOc2ccccc21 ZINC000087168013 542743355 /nfs/dbraw/zinc/74/33/55/542743355.db2.gz HATSPHIJZRMYMJ-GOSISDBHSA-N 1 0 362.437 2.456 20 30 FEEDRO CCc1nc(CNC2=[NH+]C[C@@H]3CN(C(=O)OC(C)(C)C)CCN23)cs1 ZINC000089120881 542757866 /nfs/dbraw/zinc/75/78/66/542757866.db2.gz NTLANZCQHPXYIN-CYBMUJFWSA-N 1 0 365.503 2.086 20 30 FEEDRO CC[NH+]1CCC(NC(=O)CN2CCC[C@@H]2[C@@H](C#N)c2ccccc2)CC1 ZINC000089134906 542758600 /nfs/dbraw/zinc/75/86/00/542758600.db2.gz DOOOEPRJZQYRLS-VQTJNVASSA-N 1 0 354.498 2.359 20 30 FEEDRO C[C@@H]1C[NH+](C(C)(C)CNC(=O)Cc2cccc(OCC#N)c2)C[C@@H](C)O1 ZINC000089649768 542767700 /nfs/dbraw/zinc/76/77/00/542767700.db2.gz VKEZGVFDHDDWAV-HZPDHXFCSA-N 1 0 359.470 2.135 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)Cc2c(C)[nH]c3ccccc32)c1C#N ZINC000089661945 542768177 /nfs/dbraw/zinc/76/81/77/542768177.db2.gz RTUAZXYXSIGEFE-UHFFFAOYSA-N 1 0 350.426 2.404 20 30 FEEDRO C=CCNC(=O)c1ccc(NC[C@@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)nc1 ZINC000089644439 542767455 /nfs/dbraw/zinc/76/74/55/542767455.db2.gz KDGYSLQFSOIUBP-RBUKOAKNSA-N 1 0 366.465 2.045 20 30 FEEDRO C#CCOc1ccc([C@H](C)[NH2+][C@H]2CCCN(c3ccn(C)n3)C2=O)cc1 ZINC000090116551 542782387 /nfs/dbraw/zinc/78/23/87/542782387.db2.gz KCPJRBZZFBWWMM-YJBOKZPZSA-N 1 0 352.438 2.278 20 30 FEEDRO C[N@H+](CCN1CCOCC1)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000092974684 542898690 /nfs/dbraw/zinc/89/86/90/542898690.db2.gz HBELHNZYRXALPT-UHFFFAOYSA-N 1 0 353.470 2.228 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Cn1c(=O)cnc2ccccc21)C(C)C ZINC000101684436 543041380 /nfs/dbraw/zinc/04/13/80/543041380.db2.gz JIEGXKOXGAANKW-IBGZPJMESA-N 1 0 368.481 2.211 20 30 FEEDRO C=CCOc1cccc(NC(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)c1 ZINC000102046999 543056679 /nfs/dbraw/zinc/05/66/79/543056679.db2.gz HHJXUBKBMQXZRP-SFHVURJKSA-N 1 0 374.485 2.316 20 30 FEEDRO CC[NH+](CC)[C@H](CNC(=O)C(=O)Nc1ccc(F)c(C#N)c1)c1ccco1 ZINC000102964371 543087067 /nfs/dbraw/zinc/08/70/67/543087067.db2.gz LBICCVOQDQJFDF-MRXNPFEDSA-N 1 0 372.400 2.428 20 30 FEEDRO N#Cc1c2c(sc1NC(=O)CC[NH+]1CCC(n3cncn3)CC1)CCC2 ZINC000103471949 543109732 /nfs/dbraw/zinc/10/97/32/543109732.db2.gz MRLHPXIUEFBXJU-UHFFFAOYSA-N 1 0 370.482 2.366 20 30 FEEDRO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000104075730 543122020 /nfs/dbraw/zinc/12/20/20/543122020.db2.gz LQMASQYUEJINOH-OLZOCXBDSA-N 1 0 374.510 2.413 20 30 FEEDRO C=C(C)COc1cccc(NC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000105033911 543155628 /nfs/dbraw/zinc/15/56/28/543155628.db2.gz BDSWILLBSZLEJE-MRXNPFEDSA-N 1 0 374.485 2.350 20 30 FEEDRO CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)N(CCC#N)CCC(C)C)CC1=O ZINC000105329479 543171856 /nfs/dbraw/zinc/17/18/56/543171856.db2.gz OPBXGWWVUVEEHK-MSOLQXFVSA-N 1 0 362.518 2.108 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)Cc2csc(-c3cnccn3)n2)CC1 ZINC000106034723 543186116 /nfs/dbraw/zinc/18/61/16/543186116.db2.gz VBPVFKHBGAEEMV-UHFFFAOYSA-N 1 0 357.483 2.299 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)CCCc2nc3ccccc3c(=O)[nH]2)CC1 ZINC000106038101 543186444 /nfs/dbraw/zinc/18/64/44/543186444.db2.gz DMVFQTBBZXRBMS-UHFFFAOYSA-N 1 0 368.481 2.403 20 30 FEEDRO N#Cc1cccc(OCC[N@@H+]2CCCN(Cc3noc(C4CC4)n3)CC2)c1 ZINC000106150063 543208420 /nfs/dbraw/zinc/20/84/20/543208420.db2.gz CXUOOEHBLVVMBF-UHFFFAOYSA-N 1 0 367.453 2.405 20 30 FEEDRO Cc1nc(C)n(C[C@@H]2CCC[N@@H+]([C@@H](C)C(=O)NC3(C#N)CCCCC3)C2)n1 ZINC000106179274 543213794 /nfs/dbraw/zinc/21/37/94/543213794.db2.gz WVXZNLVBKIKZIL-MAUKXSAKSA-N 1 0 372.517 2.338 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2O)CC1 ZINC000106290997 543221733 /nfs/dbraw/zinc/22/17/33/543221733.db2.gz ANCBBHKROVWRMV-GOSISDBHSA-N 1 0 371.481 2.154 20 30 FEEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CC1(c2cccc(OC)c2)CCCC1 ZINC000108407147 543289400 /nfs/dbraw/zinc/28/94/00/543289400.db2.gz XDUQHFOADPWTOW-OAHLLOKOSA-N 1 0 359.470 2.497 20 30 FEEDRO C#CCOc1cccc(NC(=O)C(=O)NCCC[N@H+]2CCCC[C@@H]2C)c1 ZINC000108605204 543297213 /nfs/dbraw/zinc/29/72/13/543297213.db2.gz JAGZKGJJCQRVGS-INIZCTEOSA-N 1 0 357.454 2.018 20 30 FEEDRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)C2(C#N)CCOCC2)c1 ZINC000109140179 543315690 /nfs/dbraw/zinc/31/56/90/543315690.db2.gz DVYNQLNRPNHNBQ-UHFFFAOYSA-N 1 0 372.469 2.017 20 30 FEEDRO CC(C)[NH+]1CCC(NC(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)CC1 ZINC000114582917 543524354 /nfs/dbraw/zinc/52/43/54/543524354.db2.gz FJQYVLIQVJDDLK-HXUWFJFHSA-N 1 0 369.513 2.279 20 30 FEEDRO Cc1ccc(C#N)cc1S(=O)(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000114737642 543534767 /nfs/dbraw/zinc/53/47/67/543534767.db2.gz DMUAPUONKODPKJ-GOSISDBHSA-N 1 0 357.479 2.318 20 30 FEEDRO COc1cc(/C=C/C(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)ccc1OCC#N ZINC000115443950 543568427 /nfs/dbraw/zinc/56/84/27/543568427.db2.gz FPRVZCMORPRCLE-UGAXZCSASA-N 1 0 357.454 2.411 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1cc2c(cc1F)NC(=O)CC2 ZINC000120659781 543682756 /nfs/dbraw/zinc/68/27/56/543682756.db2.gz UQUSBKXXDOLEBN-UHFFFAOYSA-N 1 0 361.421 2.410 20 30 FEEDRO C=CCC[C@@H](O)CN(Cc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000121507414 543695718 /nfs/dbraw/zinc/69/57/18/543695718.db2.gz LACWKJWNEAEOPN-IAGOWNOFSA-N 1 0 353.484 2.011 20 30 FEEDRO C#CCOc1cccc(NC(=O)NC[C@@H](C)C[NH+]2CCN(CC)CC2)c1 ZINC000118821254 543660431 /nfs/dbraw/zinc/66/04/31/543660431.db2.gz BPVONZWKLITJEH-QGZVFWFLSA-N 1 0 358.486 2.094 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1ccc(Cl)cc1F ZINC000122115318 543703751 /nfs/dbraw/zinc/70/37/51/543703751.db2.gz IQYHTMCQFHJQFW-UHFFFAOYSA-N 1 0 354.813 2.112 20 30 FEEDRO C[C@H](CNC(=O)C(=O)Nc1cccc(OCCCC#N)c1)C[NH+]1CCCC1 ZINC000122475648 543706823 /nfs/dbraw/zinc/70/68/23/543706823.db2.gz AWWBZAUYSSTHHB-MRXNPFEDSA-N 1 0 372.469 2.156 20 30 FEEDRO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)cc1 ZINC000124451217 543822570 /nfs/dbraw/zinc/82/25/70/543822570.db2.gz YJZPOGQOFAEEOP-WMZOPIPTSA-N 1 0 357.454 2.048 20 30 FEEDRO CC(=O)NC[C@H]1CCC[N@@H+]([C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1 ZINC000126212791 543924237 /nfs/dbraw/zinc/92/42/37/543924237.db2.gz ZOEADNSSCYPLRA-CAZWYBIWSA-N 1 0 362.518 2.154 20 30 FEEDRO CN1CC[NH+]([C@H]2CCCCN(C(=O)Nc3ccc(F)cc3C#N)C2)CC1 ZINC000126622923 543947347 /nfs/dbraw/zinc/94/73/47/543947347.db2.gz QPNJRVURBXFZON-KRWDZBQOSA-N 1 0 359.449 2.331 20 30 FEEDRO N#CC1(c2ccccc2)CC([NH2+][C@H](CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000126972981 543966624 /nfs/dbraw/zinc/96/66/24/543966624.db2.gz FEQDPLZCWFCBAG-BUGOSIMFSA-N 1 0 367.405 2.203 20 30 FEEDRO N#Cc1cc(NC(=O)C(=O)N2CC[NH+](C3CCCCC3)CC2)ccc1F ZINC000128094035 544031959 /nfs/dbraw/zinc/03/19/59/544031959.db2.gz WTDTYBVUTKBDRE-UHFFFAOYSA-N 1 0 358.417 2.113 20 30 FEEDRO C[C@@H]1C[C@H](NC(=O)N2CCCN(c3ccccc3C#N)CC2)C[N@@H+]1C1CC1 ZINC000127901244 544020387 /nfs/dbraw/zinc/02/03/87/544020387.db2.gz GWWNTMNYZDFVOG-AEFFLSMTSA-N 1 0 367.497 2.405 20 30 FEEDRO CCC[C@@H]1CN(C(=O)[C@@H](C)Oc2ccccc2C#N)CC[N@@H+]1CCOC ZINC000127935705 544022586 /nfs/dbraw/zinc/02/25/86/544022586.db2.gz OOSVERXLFGRYLM-SJLPKXTDSA-N 1 0 359.470 2.285 20 30 FEEDRO CCC[C@H]1CN(C(=O)[C@@H](C)Oc2ccc(C#N)cc2)CC[N@@H+]1CCOC ZINC000128002897 544026962 /nfs/dbraw/zinc/02/69/62/544026962.db2.gz BPGQAXWQTXMANQ-AEFFLSMTSA-N 1 0 359.470 2.285 20 30 FEEDRO C=CCOc1cc(OC)ccc1C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000128797648 544074158 /nfs/dbraw/zinc/07/41/58/544074158.db2.gz RVVRFRRTXIGVNC-UHFFFAOYSA-N 1 0 361.486 2.016 20 30 FEEDRO CC[C@@H](CC#N)NC(=O)C(=O)Nc1ccccc1OCC[NH+](CC)CC ZINC000128316254 544045372 /nfs/dbraw/zinc/04/53/72/544045372.db2.gz CJQNNWNRIJIMCD-HNNXBMFYSA-N 1 0 360.458 2.154 20 30 FEEDRO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000128582600 544061258 /nfs/dbraw/zinc/06/12/58/544061258.db2.gz KCHUMKBEUUTKCB-INIZCTEOSA-N 1 0 360.433 2.263 20 30 FEEDRO C[NH+]=C(NC[C@@H]1CCOc2ccccc21)N[C@H]1CCCn2nc(C)nc21 ZINC000129334472 544105911 /nfs/dbraw/zinc/10/59/11/544105911.db2.gz IEAAEULJBCJUQT-HOCLYGCPSA-N 1 0 354.458 2.153 20 30 FEEDRO Cc1ccc(N(CCC#N)C(=O)C[NH2+][C@H]2CCCC[C@@H]2C(N)=O)cc1C ZINC000131152401 544178800 /nfs/dbraw/zinc/17/88/00/544178800.db2.gz OFJHNTGOHXRBLO-ROUUACIJSA-N 1 0 356.470 2.184 20 30 FEEDRO N#Cc1cnc2ccc(OC(F)F)cc2c1N1CCC[N@@H+](CCO)CC1 ZINC000131563090 544195969 /nfs/dbraw/zinc/19/59/69/544195969.db2.gz KUDDYMBZVOFCOQ-UHFFFAOYSA-N 1 0 362.380 2.212 20 30 FEEDRO CN1CC[NH+](CCCCNC(=O)N[C@@H](CCC#N)c2ccccc2)CC1 ZINC000131794356 544207445 /nfs/dbraw/zinc/20/74/45/544207445.db2.gz RIIMVCMSQSLUNW-IBGZPJMESA-N 1 0 357.502 2.358 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Cc1ccc2c(c1)OCO2 ZINC000132802627 544244248 /nfs/dbraw/zinc/24/42/48/544244248.db2.gz IPLHLFPYIFMLSD-UHFFFAOYSA-N 1 0 365.433 2.420 20 30 FEEDRO C=C(C)Cn1c(SCC(=O)NCCC[NH+](C)C)nnc1-c1ccco1 ZINC000133366232 544266506 /nfs/dbraw/zinc/26/65/06/544266506.db2.gz PBILWJSIFOXMQW-UHFFFAOYSA-N 1 0 363.487 2.274 20 30 FEEDRO C[NH+]1CCN(c2cc(CNC(=O)Nc3ccc(F)cc3C#N)ccn2)CC1 ZINC000133680075 544279341 /nfs/dbraw/zinc/27/93/41/544279341.db2.gz MHYBDXBOYLZPFN-UHFFFAOYSA-N 1 0 368.416 2.166 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1cccc(OCC(F)F)n1 ZINC000133794940 544283813 /nfs/dbraw/zinc/28/38/13/544283813.db2.gz MULGHVWEOPZJTH-UHFFFAOYSA-N 1 0 355.389 2.425 20 30 FEEDRO C[C@@H](CNC(=O)N[C@H](CCC#N)c1ccccc1)C[NH+]1CCN(C)CC1 ZINC000133827544 544284955 /nfs/dbraw/zinc/28/49/55/544284955.db2.gz YJOXCLCYYXAATE-PKOBYXMFSA-N 1 0 357.502 2.214 20 30 FEEDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000133920212 544287981 /nfs/dbraw/zinc/28/79/81/544287981.db2.gz PUPZNEPVBKLYOC-HNNXBMFYSA-N 1 0 356.470 2.226 20 30 FEEDRO C=C(C)COc1cccc(NC(=O)C(=O)N(C)C[C@H]2CCC[N@H+](C)C2)c1 ZINC000134128012 544295108 /nfs/dbraw/zinc/29/51/08/544295108.db2.gz STPRTESXLMGVSS-INIZCTEOSA-N 1 0 359.470 2.380 20 30 FEEDRO CC(C)(C#N)c1ccccc1C[N@@H+]1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000135737764 544360088 /nfs/dbraw/zinc/36/00/88/544360088.db2.gz NFGNGNARSIIURM-QGZVFWFLSA-N 1 0 361.511 2.488 20 30 FEEDRO COc1ccc(OCC[N@H+](C)C[C@H](O)COc2ccccc2C#N)cc1 ZINC000141583050 544413471 /nfs/dbraw/zinc/41/34/71/544413471.db2.gz KNUIYHNDONXKFT-KRWDZBQOSA-N 1 0 356.422 2.317 20 30 FEEDRO C[NH+](C)CCCCCCCNC(=O)C(=O)Nc1cccc(OCC#N)c1 ZINC000141838349 544414402 /nfs/dbraw/zinc/41/44/02/544414402.db2.gz MDRWWCWRDISBMK-UHFFFAOYSA-N 1 0 360.458 2.156 20 30 FEEDRO C[NH+](C)CCn1cc(NC(=O)CCCC(=O)Nc2ccccc2C#N)cn1 ZINC000151395421 544535905 /nfs/dbraw/zinc/53/59/05/544535905.db2.gz USSNIRGRPVHDQA-UHFFFAOYSA-N 1 0 368.441 2.064 20 30 FEEDRO N#Cc1ccccc1NC(=O)CCCC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000151197804 544515231 /nfs/dbraw/zinc/51/52/31/544515231.db2.gz RNWUQSVKUYHBCI-OAHLLOKOSA-N 1 0 354.454 2.268 20 30 FEEDRO N#Cc1ccccc1NC(=O)CCCC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000151197740 544515762 /nfs/dbraw/zinc/51/57/62/544515762.db2.gz RNWUQSVKUYHBCI-HNNXBMFYSA-N 1 0 354.454 2.268 20 30 FEEDRO C#CCCOc1ccc(C[NH2+]C2CCN(S(=O)(=O)C3CC3)CC2)cc1 ZINC000151272403 544522814 /nfs/dbraw/zinc/52/28/14/544522814.db2.gz BNCYVORVISOIFN-UHFFFAOYSA-N 1 0 362.495 2.135 20 30 FEEDRO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H](c3nncn3C3CC3)C2)cc1 ZINC000152403195 544648210 /nfs/dbraw/zinc/64/82/10/544648210.db2.gz OGLUKDGCPLHBPS-FUHWJXTLSA-N 1 0 367.453 2.104 20 30 FEEDRO C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000154413855 544903408 /nfs/dbraw/zinc/90/34/08/544903408.db2.gz BWTBZSBYTSAUHL-HZPDHXFCSA-N 1 0 372.469 2.249 20 30 FEEDRO CN(C(=O)C[NH2+]C(C)(C)C(=O)NCC1CCCC1)C1(C#N)CCCCC1 ZINC000155184796 544999233 /nfs/dbraw/zinc/99/92/33/544999233.db2.gz BNNSREVZMPMDRS-UHFFFAOYSA-N 1 0 362.518 2.346 20 30 FEEDRO C=CCN(C(=O)C(=O)NCC1CC[NH+](Cc2cccs2)CC1)C(C)C ZINC000803221572 674229025 /nfs/dbraw/zinc/22/90/25/674229025.db2.gz GHQLBCWKOQFKKZ-UHFFFAOYSA-N 1 0 363.527 2.499 20 30 FEEDRO C[C@H]([NH2+]C[C@H](O)CS(=O)(=O)c1cccs1)c1ccc(C#N)cc1 ZINC000182061755 327759232 /nfs/dbraw/zinc/75/92/32/327759232.db2.gz YLJJDNVEIAEEKS-WFASDCNBSA-N 1 0 350.465 2.105 20 30 FEEDRO CN(C)c1cc[nH+]cc1C(=O)N1CCN(c2ccc(C#N)cc2F)CC1 ZINC000183491866 327821032 /nfs/dbraw/zinc/82/10/32/327821032.db2.gz UEXFWTAECZOTFB-UHFFFAOYSA-N 1 0 353.401 2.121 20 30 FEEDRO C[C@@H](NC(=O)CC(C)(C)C)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000188402686 328084819 /nfs/dbraw/zinc/08/48/19/328084819.db2.gz XCZIBQDPAQIJKX-MRXNPFEDSA-N 1 0 372.513 2.389 20 30 FEEDRO N#Cc1ccc(C(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)cc1O ZINC000188601153 328097933 /nfs/dbraw/zinc/09/79/33/328097933.db2.gz DWNRLHUSFAKDEI-UHFFFAOYSA-N 1 0 365.433 2.151 20 30 FEEDRO COCC[N@H+](C)CCCC1CCN(C(=O)c2ccc(C#N)c(O)c2)CC1 ZINC000189083517 328127454 /nfs/dbraw/zinc/12/74/54/328127454.db2.gz UPWWOXQJIMEJJU-UHFFFAOYSA-N 1 0 359.470 2.474 20 30 FEEDRO CCCN(CCC[NH+](C)C)C(=O)C(=O)Nc1cc(C#N)ccc1OC(C)C ZINC000190153489 328191099 /nfs/dbraw/zinc/19/10/99/328191099.db2.gz RMQSAKLEJJAAHQ-UHFFFAOYSA-N 1 0 374.485 2.474 20 30 FEEDRO CCOCCOCC[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000190257928 328197066 /nfs/dbraw/zinc/19/70/66/328197066.db2.gz UHDJFVONVDNLKZ-UHFFFAOYSA-N 1 0 365.499 2.422 20 30 FEEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CN2CC[C@H](C)[C@@H]2CO)c1C#N ZINC000190446367 328208130 /nfs/dbraw/zinc/20/81/30/328208130.db2.gz HUULKQCNAWLDDT-UGSOOPFHSA-N 1 0 370.453 2.259 20 30 FEEDRO CCOC(=O)C1CCC(O)(C[NH+]2CCN(c3ccccc3C#N)CC2)CC1 ZINC000190853316 328236159 /nfs/dbraw/zinc/23/61/59/328236159.db2.gz FMOFTJXFNWMCSM-UHFFFAOYSA-N 1 0 371.481 2.165 20 30 FEEDRO CC[C@H](O)C[NH+]1CCN(Cc2cc(C#N)ccc2Br)CC1 ZINC000191799664 328282488 /nfs/dbraw/zinc/28/24/88/328282488.db2.gz PHMQYZUDXNKJJB-HNNXBMFYSA-N 1 0 352.276 2.209 20 30 FEEDRO N#Cc1cccnc1N1CCCN(C(=O)NCCCC[NH+]2CCCC2)CC1 ZINC000056642330 324810264 /nfs/dbraw/zinc/81/02/64/324810264.db2.gz MRZOMYHEFLAGSF-UHFFFAOYSA-N 1 0 370.501 2.051 20 30 FEEDRO N#Cc1ccc(C(=O)N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)cc1 ZINC000058886875 324843765 /nfs/dbraw/zinc/84/37/65/324843765.db2.gz XGINJSQZICJRQN-UHFFFAOYSA-N 1 0 368.481 2.013 20 30 FEEDRO N#Cc1ccc(NC(=O)C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000078728679 325059931 /nfs/dbraw/zinc/05/99/31/325059931.db2.gz UXNAKAWYJNKTIN-IBGZPJMESA-N 1 0 362.433 2.278 20 30 FEEDRO CC(C)OCC[NH+]1CCC(NC(=O)[C@@H](C)Oc2ccccc2C#N)CC1 ZINC000081995864 325206008 /nfs/dbraw/zinc/20/60/08/325206008.db2.gz MZUJGQARZYECFY-MRXNPFEDSA-N 1 0 359.470 2.331 20 30 FEEDRO C[NH+](C)CCN(Cc1cccs1)C(=O)C(=O)Nc1ccc(C#N)cc1 ZINC000084347758 325234144 /nfs/dbraw/zinc/23/41/44/325234144.db2.gz CLKJNBNNTONEFY-UHFFFAOYSA-N 1 0 356.451 2.149 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2F)c1C#N ZINC000089662739 325326365 /nfs/dbraw/zinc/32/63/65/325326365.db2.gz HHDLYSONFPWQRV-CHWSQXEVSA-N 1 0 359.380 2.454 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@H]2C[C@@H]2c2c(F)cccc2F)c1C#N ZINC000089675757 325326802 /nfs/dbraw/zinc/32/68/02/325326802.db2.gz ONUNMKFWYIYRSE-QWRGUYRKSA-N 1 0 359.380 2.454 20 30 FEEDRO N#Cc1cc(F)ccc1NC(=O)NC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000089874176 325338731 /nfs/dbraw/zinc/33/87/31/325338731.db2.gz UOLZRHJXRJVEAB-QZTJIDSGSA-N 1 0 368.412 2.454 20 30 FEEDRO Cc1cccc(Cl)c1NC(=O)C[N@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000089943801 325344739 /nfs/dbraw/zinc/34/47/39/325344739.db2.gz DGIJBTVHXJMMLY-UHFFFAOYSA-N 1 0 360.849 2.329 20 30 FEEDRO N#Cc1cc(S(=O)(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)ccc1F ZINC000107707544 325633736 /nfs/dbraw/zinc/63/37/36/325633736.db2.gz OTEGCIVSWXMUKD-OAHLLOKOSA-N 1 0 351.447 2.336 20 30 FEEDRO C[NH+](C)[C@@H]1CCN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)C1 ZINC000109404081 325667205 /nfs/dbraw/zinc/66/72/05/325667205.db2.gz DYAGJAWWHOUXRX-JKSUJKDBSA-N 1 0 359.449 2.012 20 30 FEEDRO CCCCC[N@H+](CCO)CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000118825747 326105101 /nfs/dbraw/zinc/10/51/01/326105101.db2.gz CIKCZEQBWPDLEN-UHFFFAOYSA-N 1 0 355.442 2.167 20 30 FEEDRO N#Cc1ccc(C(=O)Nc2cccc(C[NH+]3CCC(CO)CC3)c2)cn1 ZINC000120980850 326303844 /nfs/dbraw/zinc/30/38/44/326303844.db2.gz BCAJTWZIFSREFG-UHFFFAOYSA-N 1 0 350.422 2.410 20 30 FEEDRO C[N@H+](CCCc1[nH]nc(N)c1C#N)[C@@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000121456732 326340317 /nfs/dbraw/zinc/34/03/17/326340317.db2.gz IIIKUUQTXWVJED-MRXNPFEDSA-N 1 0 372.860 2.187 20 30 FEEDRO COc1cc(C#N)ccc1OCC(=O)N1CCC(Cc2nccn2C)CC1 ZINC000121876650 326373364 /nfs/dbraw/zinc/37/33/64/326373364.db2.gz QXVRTANKFAEXKK-UHFFFAOYSA-N 1 0 368.437 2.160 20 30 FEEDRO COCC[N@H+](C)CCCC1CCN([C@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000122084800 326383563 /nfs/dbraw/zinc/38/35/63/326383563.db2.gz VYUBDMWLTAPDDH-FQEVSTJZSA-N 1 0 372.513 2.155 20 30 FEEDRO CN(C)c1ccnc(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)c1 ZINC000131437700 326574842 /nfs/dbraw/zinc/57/48/42/326574842.db2.gz MLISKSKDXSBXKD-UHFFFAOYSA-N 1 0 351.454 2.223 20 30 FEEDRO N#Cc1cc(F)ccc1S(=O)(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000152047367 326697621 /nfs/dbraw/zinc/69/76/21/326697621.db2.gz OVPGOJYZFGRWRC-MRXNPFEDSA-N 1 0 351.447 2.336 20 30 FEEDRO N#Cc1cccc(S(=O)(=O)CCN2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000156790923 326844084 /nfs/dbraw/zinc/84/40/84/326844084.db2.gz JWYBVGAUBCZPHM-GOSISDBHSA-N 1 0 361.511 2.140 20 30 FEEDRO CCCC[NH+]1CCC(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)CC1 ZINC000156815443 326844914 /nfs/dbraw/zinc/84/49/14/326844914.db2.gz VFJZWXHDJKPFNR-UHFFFAOYSA-N 1 0 366.443 2.009 20 30 FEEDRO C[N@@H+]1CCC[C@@H](CNC(=O)N2CCCN(c3ccccc3C#N)CC2)C1 ZINC000171768088 327160060 /nfs/dbraw/zinc/16/00/60/327160060.db2.gz HDHQCJXPGGEOED-KRWDZBQOSA-N 1 0 355.486 2.122 20 30 FEEDRO COc1ccc(CN2CC[C@H]([NH2+]Cc3ccc(OC)c(C#N)c3)C2=O)cc1 ZINC000174399802 327324757 /nfs/dbraw/zinc/32/47/57/327324757.db2.gz SPNBOYFPRBDEFJ-IBGZPJMESA-N 1 0 365.433 2.466 20 30 FEEDRO COc1cc(C#N)ccc1OCC(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000174549194 327334454 /nfs/dbraw/zinc/33/44/54/327334454.db2.gz ADPYZOSRCXIOKE-KRWDZBQOSA-N 1 0 357.454 2.280 20 30 FEEDRO CNC(=O)CC1CC[NH+](CCC(=O)Nc2sc3c(c2C#N)CCC3)CC1 ZINC000175032041 327369516 /nfs/dbraw/zinc/36/95/16/327369516.db2.gz XITTVZXLFWWBAV-UHFFFAOYSA-N 1 0 374.510 2.285 20 30 FEEDRO C[C@H](O)CC(C)(C)CNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000175564324 327399704 /nfs/dbraw/zinc/39/97/04/327399704.db2.gz NDRIOWGDNKFMCI-INIZCTEOSA-N 1 0 360.502 2.429 20 30 FEEDRO C[C@@H]1CCC[C@@](CNC(=O)C(=O)Nc2ccc(F)cc2C#N)([NH+](C)C)C1 ZINC000175966452 327424948 /nfs/dbraw/zinc/42/49/48/327424948.db2.gz FBBRRKQIYHFBGT-BFUOFWGJSA-N 1 0 360.433 2.263 20 30 FEEDRO Cc1cccc(NC(=O)C(=O)NC2CC[NH+](C3CCCC3)CC2)c1C#N ZINC000176373453 327451805 /nfs/dbraw/zinc/45/18/05/327451805.db2.gz RONCLTFCTFNOKM-UHFFFAOYSA-N 1 0 354.454 2.328 20 30 FEEDRO Cc1c(C#N)cccc1NC(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000178561811 327592436 /nfs/dbraw/zinc/59/24/36/327592436.db2.gz MEGZQHRNIWGOTF-UHFFFAOYSA-N 1 0 364.453 2.335 20 30 FEEDRO C[C@H](NC(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1)c1ccc(C#N)cc1 ZINC000263981017 328980936 /nfs/dbraw/zinc/98/09/36/328980936.db2.gz QGJRFDSCBYHJBH-HNNXBMFYSA-N 1 0 364.449 2.478 20 30 FEEDRO N#Cc1ccc(SCC(=O)N2CCC(C[NH+]3CCOCC3)CC2)cc1 ZINC000264076706 328990445 /nfs/dbraw/zinc/99/04/45/328990445.db2.gz FLXRENHHIBTXPE-UHFFFAOYSA-N 1 0 359.495 2.221 20 30 FEEDRO N#Cc1ccc(CNC(=O)CN2CCC[C@H](c3nnc4ccccn43)C2)cc1 ZINC000265661297 329147579 /nfs/dbraw/zinc/14/75/79/329147579.db2.gz RZIOAYKALWFXKO-SFHVURJKSA-N 1 0 374.448 2.097 20 30 FEEDRO N#Cc1ccc(C(=O)NCC(=O)NCCCCCCC[NH+]2CCCC2)cc1 ZINC000267051883 329286893 /nfs/dbraw/zinc/28/68/93/329286893.db2.gz XOWNQISNQNATDV-UHFFFAOYSA-N 1 0 370.497 2.451 20 30 FEEDRO CCOc1ccc(C#N)cc1NC(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000269228624 329498401 /nfs/dbraw/zinc/49/84/01/329498401.db2.gz XGSNNDIRSZALKB-ROUUACIJSA-N 1 0 372.469 2.456 20 30 FEEDRO Cc1ccnc(N2CCC(C(=O)NCCC[NH+]3CCCCC3)CC2)c1C#N ZINC000273342720 329857250 /nfs/dbraw/zinc/85/72/50/329857250.db2.gz NZSLCHGXQZOOFQ-UHFFFAOYSA-N 1 0 369.513 2.470 20 30 FEEDRO CCC[NH+]1CCC(N(C)C(=O)C(=O)Nc2ccc(C#N)cc2Cl)CC1 ZINC000275741489 330083749 /nfs/dbraw/zinc/08/37/49/330083749.db2.gz WPXBOYWRYFMYSM-UHFFFAOYSA-N 1 0 362.861 2.483 20 30 FEEDRO CCOc1ccc(C#N)cc1NC(=O)C(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC000275857729 330096761 /nfs/dbraw/zinc/09/67/61/330096761.db2.gz LUCUGSASBFLRDZ-CQSZACIVSA-N 1 0 372.469 2.084 20 30 FEEDRO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1cc(C#N)ccc1Cl ZINC000276176179 330126474 /nfs/dbraw/zinc/12/64/74/330126474.db2.gz LOYFBUNPEURHOX-KGLIPLIRSA-N 1 0 360.845 2.235 20 30 FEEDRO N#Cc1ccc(Cl)c(S(=O)(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)c1 ZINC000274633822 518196475 /nfs/dbraw/zinc/19/64/75/518196475.db2.gz CPSLNLJFCUSIIJ-CQSZACIVSA-N 1 0 353.875 2.461 20 30 FEEDRO C=CCN1C(=O)c2ccc(C(=O)N3CC[C@H]4[C@H](CCC[N@H+]4C)C3)cc2C1=O ZINC000155399331 545521081 /nfs/dbraw/zinc/52/10/81/545521081.db2.gz VCFAUBLLUKYJFZ-QAPCUYQASA-N 1 0 367.449 2.025 20 30 FEEDRO N#Cc1ccc([C@@H](O)CN2CC[NH+](CCCOCC(F)(F)F)CC2)cc1 ZINC000155705094 545559783 /nfs/dbraw/zinc/55/97/83/545559783.db2.gz FKCSZGOWBBIYLK-KRWDZBQOSA-N 1 0 371.403 2.178 20 30 FEEDRO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCC(Cn2ccnn2)CC1 ZINC000156091213 545598698 /nfs/dbraw/zinc/59/86/98/545598698.db2.gz DFOZBZJUQMNBLR-KRWDZBQOSA-N 1 0 366.469 2.325 20 30 FEEDRO N#Cc1ccc(CNC(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)c(F)c1 ZINC000156193972 545606988 /nfs/dbraw/zinc/60/69/88/545606988.db2.gz ZRNFTROWLFKAPR-RBUKOAKNSA-N 1 0 374.460 2.264 20 30 FEEDRO COCCC1(CNC2=[NH+]C[C@H]3CN(C(=O)OC(C)(C)C)CCN23)CCC1 ZINC000156944908 545679694 /nfs/dbraw/zinc/67/96/94/545679694.db2.gz GKSGFNLGACYTEQ-HNNXBMFYSA-N 1 0 366.506 2.074 20 30 FEEDRO C[NH+]=C(NCc1nc(C)cs1)N[C@H]1CCN(c2ccccc2OC)C1 ZINC000158695373 545885660 /nfs/dbraw/zinc/88/56/60/545885660.db2.gz KWGOBTYASBQMCX-AWEZNQCLSA-N 1 0 359.499 2.404 20 30 FEEDRO C=CCOc1cccnc1C(=O)N1CCN(c2cc[nH+]cc2OC)CC1 ZINC000478479992 561168009 /nfs/dbraw/zinc/16/80/09/561168009.db2.gz WWDUPZKWVPVFNY-UHFFFAOYSA-N 1 0 354.410 2.012 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)NC[C@@H](CO)Cc2ccc(F)c(F)c2)CC1 ZINC000478615544 561171195 /nfs/dbraw/zinc/17/11/95/561171195.db2.gz MUEYPHJWMDGEOZ-HNNXBMFYSA-N 1 0 367.440 2.065 20 30 FEEDRO CC[NH+]1CCN([C@@H]2CCN(C(=O)N[C@H](CCC#N)c3ccccc3)C2)CC1 ZINC000160665491 546061259 /nfs/dbraw/zinc/06/12/59/546061259.db2.gz PNUXIKAWOSIEOR-WOJBJXKFSA-N 1 0 369.513 2.453 20 30 FEEDRO Cc1ccc(N(CCC#N)C(=O)CN(C)[C@@H]2CCCCNC2=O)cc1C ZINC000162349868 546138527 /nfs/dbraw/zinc/13/85/27/546138527.db2.gz BIQLBOKASAMWEG-GOSISDBHSA-N 1 0 356.470 2.151 20 30 FEEDRO CN(CCC#N)c1ccc(C[NH+]2CCC(C(=O)N3CCOCC3)CC2)cc1 ZINC000162673234 546141974 /nfs/dbraw/zinc/14/19/74/546141974.db2.gz HVQWHJVXXZNNEU-UHFFFAOYSA-N 1 0 370.497 2.107 20 30 FEEDRO N#Cc1ccc(NC(=O)CC[NH+]2CCC(NC(=O)c3ccoc3)CC2)cc1 ZINC000166530651 546156934 /nfs/dbraw/zinc/15/69/34/546156934.db2.gz ZINPUZLBPYCCNU-UHFFFAOYSA-N 1 0 366.421 2.374 20 30 FEEDRO COc1ccc(CNC(=[NH2+])NCC[C@@H]2c3ccccc3NC2=O)cc1OC ZINC000170907425 546181633 /nfs/dbraw/zinc/18/16/33/546181633.db2.gz KWRZYAMTOYQXEQ-OAHLLOKOSA-N 1 0 368.437 2.234 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)c2cc(C(=O)OCC)cc([N+](=O)[O-])c2)CC1 ZINC000171726969 546221834 /nfs/dbraw/zinc/22/18/34/546221834.db2.gz JGGPBBWXXAHZTN-UHFFFAOYSA-N 1 0 361.398 2.152 20 30 FEEDRO CC[NH+]1CCN(c2ccc(CNC(=O)NCCCCC#N)cc2F)CC1 ZINC000171734530 546223139 /nfs/dbraw/zinc/22/31/39/546223139.db2.gz KJCQETLXRGZYFG-UHFFFAOYSA-N 1 0 361.465 2.461 20 30 FEEDRO N#CCCn1cc(C(=O)CN2CCC[C@H](OCCO)C2)c2ccccc21 ZINC000172292786 546245050 /nfs/dbraw/zinc/24/50/50/546245050.db2.gz FYMIPUQFWKQKFE-INIZCTEOSA-N 1 0 355.438 2.211 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)[C@@H]2CCN(c3cccc(Cl)c3)C2=O)CC1 ZINC000173579001 546283794 /nfs/dbraw/zinc/28/37/94/546283794.db2.gz IOPKQVZQRDMCEE-KRWDZBQOSA-N 1 0 361.873 2.460 20 30 FEEDRO C=CCCO[C@@H](C)C(=O)Nc1ccc(OCCN2CC[NH+](C)CC2)cc1 ZINC000174037328 546289744 /nfs/dbraw/zinc/28/97/44/546289744.db2.gz BRRQXSFRXNYTMO-KRWDZBQOSA-N 1 0 361.486 2.233 20 30 FEEDRO C=CCOCCCC(=O)Nc1ccc(OCCN2CC[NH+](C)CC2)cc1 ZINC000174047515 546290433 /nfs/dbraw/zinc/29/04/33/546290433.db2.gz UIXAOSYZDUVMPL-UHFFFAOYSA-N 1 0 361.486 2.234 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N[C@H](C)c2nc(-c3cccc(F)c3)no2)CC1 ZINC000174738161 546302571 /nfs/dbraw/zinc/30/25/71/546302571.db2.gz LONLJHRMXRVUPX-CYBMUJFWSA-N 1 0 356.401 2.398 20 30 FEEDRO CC[NH+]1CCN(CCC(=O)NCC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000175719113 546338921 /nfs/dbraw/zinc/33/89/21/546338921.db2.gz ARWYGBJIDKYAHD-UHFFFAOYSA-N 1 0 367.415 2.201 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N[C@H]2CCN(c3ccccc3OC)C2)CC1 ZINC000176586309 546465018 /nfs/dbraw/zinc/46/50/18/546465018.db2.gz IDDHMEPRQQNCIB-KRWDZBQOSA-N 1 0 358.486 2.224 20 30 FEEDRO N#Cc1csc(C(=O)N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)c1 ZINC000177421949 546614183 /nfs/dbraw/zinc/61/41/83/546614183.db2.gz WPCOLDUROAMUBZ-UHFFFAOYSA-N 1 0 374.510 2.074 20 30 FEEDRO CC(C)OCC[NH+]1CCC(N[C@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000177487935 546629023 /nfs/dbraw/zinc/62/90/23/546629023.db2.gz YZBLZPQRUHFMDO-FQEVSTJZSA-N 1 0 370.497 2.143 20 30 FEEDRO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 ZINC000177738379 546677348 /nfs/dbraw/zinc/67/73/48/546677348.db2.gz ZHQXORUVNGGVFI-SJORKVTESA-N 1 0 371.485 2.049 20 30 FEEDRO C=CCc1ccccc1OC[C@H](O)C[NH+]1CCC([C@@H](C)NC(C)=O)CC1 ZINC000481150137 561226449 /nfs/dbraw/zinc/22/64/49/561226449.db2.gz XJMVLACLVFUQMB-OXQOHEQNSA-N 1 0 360.498 2.391 20 30 FEEDRO C=CCOc1ccc(OCC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)cc1 ZINC000178187323 546755838 /nfs/dbraw/zinc/75/58/38/546755838.db2.gz IVOMNKLKIOPZHF-LJQANCHMSA-N 1 0 362.470 2.103 20 30 FEEDRO Cc1c(C#N)cccc1NC(=O)C(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000178447128 546795779 /nfs/dbraw/zinc/79/57/79/546795779.db2.gz LXVOIGOQKIYAMZ-JLTOFOAXSA-N 1 0 356.470 2.432 20 30 FEEDRO CCCN(C(=O)Cn1cnc(C#N)n1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000178496665 546803799 /nfs/dbraw/zinc/80/37/99/546803799.db2.gz MYWJPIHLYSSMFQ-GOSISDBHSA-N 1 0 366.469 2.053 20 30 FEEDRO Cc1c(C#N)cccc1NC(=O)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000178577293 546815589 /nfs/dbraw/zinc/81/55/89/546815589.db2.gz IBCWWMUIXGSORL-LJQANCHMSA-N 1 0 364.449 2.407 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(-c3ncco3)cc2)CC1 ZINC000179386296 546944530 /nfs/dbraw/zinc/94/45/30/546944530.db2.gz RTWDTOBVNXPBMN-UHFFFAOYSA-N 1 0 354.410 2.047 20 30 FEEDRO CN(C)C(=O)CN1CCC([NH2+][C@@H]2CCCCc3cc(C#N)ccc32)CC1 ZINC000481923558 561245449 /nfs/dbraw/zinc/24/54/49/561245449.db2.gz PMPSZNCDNDCEGJ-HXUWFJFHSA-N 1 0 354.498 2.468 20 30 FEEDRO C[C@H]([NH2+]CC(=O)N[C@](C)(C#N)C1CC1)c1ccc(NC(=O)C2CC2)cc1 ZINC000179760832 547010050 /nfs/dbraw/zinc/01/00/50/547010050.db2.gz CIAHXFOXGYSMFR-RNODOKPDSA-N 1 0 354.454 2.494 20 30 FEEDRO Cn1cc(C[N@@H+]2CCC[C@H](CCC(N)=O)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180011020 547038675 /nfs/dbraw/zinc/03/86/75/547038675.db2.gz YWRBNOLISLBHOU-MRXNPFEDSA-N 1 0 351.454 2.436 20 30 FEEDRO CC[NH+]1CCN([C@@H]2CCN(C(=O)Nc3ccccc3O[C@@H](C)C#N)C2)CC1 ZINC000180037727 547041771 /nfs/dbraw/zinc/04/17/71/547041771.db2.gz DOUXVDFBCUOASB-DLBZAZTESA-N 1 0 371.485 2.221 20 30 FEEDRO C[C@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1nc2ccc(Cl)cc2n1C ZINC000180176906 547063576 /nfs/dbraw/zinc/06/35/76/547063576.db2.gz PIUXQOHADXALFB-QHKYSRAXSA-N 1 0 373.844 2.404 20 30 FEEDRO C=CCNc1ncc(C(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)s1 ZINC000180353540 547090636 /nfs/dbraw/zinc/09/06/36/547090636.db2.gz PROTZLNHLAPQKK-INIZCTEOSA-N 1 0 372.494 2.238 20 30 FEEDRO CC(C)[NH2+]C1CCN(C(=O)C(=O)Nc2cccc(OCCCC#N)c2)CC1 ZINC000180361935 547093035 /nfs/dbraw/zinc/09/30/35/547093035.db2.gz XLGFMUPLLRAXEW-UHFFFAOYSA-N 1 0 372.469 2.297 20 30 FEEDRO N#CCCN(CCN1CCOCC1)C(=O)c1ccc(C(F)(F)F)cc1O ZINC000180587996 547136914 /nfs/dbraw/zinc/13/69/14/547136914.db2.gz BZFVSOUCMQIUDV-UHFFFAOYSA-N 1 0 371.359 2.099 20 30 FEEDRO C[C@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1cnn(Cc2ccccc2)c1 ZINC000180867232 547196874 /nfs/dbraw/zinc/19/68/74/547196874.db2.gz LFJIAQOLUAGBLN-DNTCVELPSA-N 1 0 365.437 2.108 20 30 FEEDRO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](c2nc3cc(C)ccc3[nH]2)C1 ZINC000181155661 547259370 /nfs/dbraw/zinc/25/93/70/547259370.db2.gz XFWKSRICRVGSSJ-LSDHHAIUSA-N 1 0 369.469 2.451 20 30 FEEDRO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000181303275 547289533 /nfs/dbraw/zinc/28/95/33/547289533.db2.gz RXWLUPFGIWZQGB-WBVHZDCISA-N 1 0 366.469 2.412 20 30 FEEDRO C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)NCCC[NH+]1CCCCCC1 ZINC000181652083 547353254 /nfs/dbraw/zinc/35/32/54/547353254.db2.gz RRIDHSFYCBNCFA-INIZCTEOSA-N 1 0 372.469 2.298 20 30 FEEDRO CC1(C)[C@H](OCc2ccccc2)C[C@@H]1[NH2+]CCNC(=O)C1N=CC=CC1=O ZINC000182363061 547479543 /nfs/dbraw/zinc/47/95/43/547479543.db2.gz SYSGKVAMMKKQCN-WMHBUWLTSA-N 1 0 369.465 2.486 20 30 FEEDRO COc1ccc([C@H](CCO)[NH2+]C[C@H](O)COc2ccc(C#N)cc2)cc1 ZINC000182405594 547487214 /nfs/dbraw/zinc/48/72/14/547487214.db2.gz YTHVYVWNBFIWIU-PXNSSMCTSA-N 1 0 356.422 2.020 20 30 FEEDRO CC(C)[C@H](C#N)N1CCN(C(=O)C[NH2+][C@H](C)[C@@H](C)c2ccccc2)CC1 ZINC000183365301 547645499 /nfs/dbraw/zinc/64/54/99/547645499.db2.gz FVSLFYUEEPWBPI-GGPKGHCWSA-N 1 0 356.514 2.461 20 30 FEEDRO CN(C)c1cc[nH+]cc1C(=O)N1CCN(c2cccc(F)c2C#N)CC1 ZINC000183509491 547673264 /nfs/dbraw/zinc/67/32/64/547673264.db2.gz DUUUTNGPOALEEN-UHFFFAOYSA-N 1 0 353.401 2.121 20 30 FEEDRO CN1CC[NH+](CCC(C)(C)NC(=O)c2cccc(SCC#N)c2)CC1 ZINC000184212593 547788122 /nfs/dbraw/zinc/78/81/22/547788122.db2.gz XJPLKNHZIDVVBW-UHFFFAOYSA-N 1 0 360.527 2.448 20 30 FEEDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000184584824 547850484 /nfs/dbraw/zinc/85/04/84/547850484.db2.gz ZGYUQZNQSJHTML-SJORKVTESA-N 1 0 365.441 2.229 20 30 FEEDRO C[C@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)[C@H]1COc2ccccc21 ZINC000185582842 548004932 /nfs/dbraw/zinc/00/49/32/548004932.db2.gz ISDQJRPMEKMTST-KBXCAEBGSA-N 1 0 356.447 2.486 20 30 FEEDRO CC[C@@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1ccc(C#N)cc1OC ZINC000185638061 548013278 /nfs/dbraw/zinc/01/32/78/548013278.db2.gz SVPRMLOMZUKCEB-OAHLLOKOSA-N 1 0 351.472 2.110 20 30 FEEDRO C[N@H+](Cc1ccccc1)[C@@H](CNS(=O)(=O)c1ccc(C#N)nc1)C1CC1 ZINC000186071511 548079739 /nfs/dbraw/zinc/07/97/39/548079739.db2.gz CPFAAEFANJGZID-IBGZPJMESA-N 1 0 370.478 2.142 20 30 FEEDRO Cc1cc(N(CCC#N)C(=O)C[NH2+]C(C)(C)CC(N)=O)ccc1Cl ZINC000186257365 548107356 /nfs/dbraw/zinc/10/73/56/548107356.db2.gz GRSFTJRUPPPCKK-UHFFFAOYSA-N 1 0 350.850 2.139 20 30 FEEDRO C=CC[C@@H](CO)[NH2+][C@@H](C)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000186699950 548175724 /nfs/dbraw/zinc/17/57/24/548175724.db2.gz LTFQDTFRPPEHKH-RDJZCZTQSA-N 1 0 352.500 2.449 20 30 FEEDRO COC(=O)c1ccccc1CC[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000186729269 548181525 /nfs/dbraw/zinc/18/15/25/548181525.db2.gz COZOLWHOIWMPOG-UHFFFAOYSA-N 1 0 350.422 2.105 20 30 FEEDRO N#CCCN(C(=O)CCC(=O)N1CC[NH+]2CCC1CC2)c1ccccc1 ZINC000188656890 548283587 /nfs/dbraw/zinc/28/35/87/548283587.db2.gz IWYHQIYFCZTWEP-UHFFFAOYSA-N 1 0 354.454 2.020 20 30 FEEDRO C=CCOc1ccccc1CNC(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000188701413 548285880 /nfs/dbraw/zinc/28/58/80/548285880.db2.gz SPJLYTHQYCPPRU-INIZCTEOSA-N 1 0 361.486 2.238 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCSC[C@@H]2c2cnn(C)c2)CC1 ZINC000188681252 548286011 /nfs/dbraw/zinc/28/60/11/548286011.db2.gz XYTFEMSEOOZYDK-QGZVFWFLSA-N 1 0 363.531 2.260 20 30 FEEDRO C=CCOc1ccccc1CNC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C ZINC000188703745 548286124 /nfs/dbraw/zinc/28/61/24/548286124.db2.gz AOYDOEFNECUWEL-MRXNPFEDSA-N 1 0 361.486 2.238 20 30 FEEDRO CCCN(CCC[NH+](C)C)C(=O)C(=O)Nc1ccccc1O[C@H](C)C#N ZINC000190163306 548319479 /nfs/dbraw/zinc/31/94/79/548319479.db2.gz QRLWYWULBSLABI-OAHLLOKOSA-N 1 0 360.458 2.106 20 30 FEEDRO Cc1cccc(N(CCC#N)C(=O)C[N@@H+](C)C2(CO)CCOCC2)c1C ZINC000191028138 548339025 /nfs/dbraw/zinc/33/90/25/548339025.db2.gz NMMUBGFGEUZPNQ-UHFFFAOYSA-N 1 0 359.470 2.023 20 30 FEEDRO C[NH+](C)CCn1c2cc(NC(=O)Cc3ccc(C#N)cc3)ccc2oc1=O ZINC000194762674 548528571 /nfs/dbraw/zinc/52/85/71/548528571.db2.gz RIYNXMKPDHHVMT-UHFFFAOYSA-N 1 0 364.405 2.209 20 30 FEEDRO CCOC(=O)[C@H]1CCCCN1C(=O)CN(Cc1ccc(C#N)cc1)C1CC1 ZINC000194964079 548556324 /nfs/dbraw/zinc/55/63/24/548556324.db2.gz DPXBRYLWQGSJGH-LJQANCHMSA-N 1 0 369.465 2.467 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CCC[C@@H](CNC(C)=O)C1 ZINC000195718913 548656821 /nfs/dbraw/zinc/65/68/21/548656821.db2.gz HRUNGIOVUMUSOA-WBVHZDCISA-N 1 0 363.527 2.499 20 30 FEEDRO C=CCN1C(=S)N=NC1c1sc(NC(=O)[C@@]2(C)CC[NH2+]C2)nc1C ZINC000237670669 548843370 /nfs/dbraw/zinc/84/33/70/548843370.db2.gz UYKFTGUWDVBLKI-HNNXBMFYSA-N 1 0 364.500 2.123 20 30 FEEDRO C=CCCC[C@H](C)NC(=O)C(=O)N(C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000487745177 561374899 /nfs/dbraw/zinc/37/48/99/561374899.db2.gz VQPHKJJBLYIBLW-WDSOQIARSA-N 1 0 372.513 2.394 20 30 FEEDRO Cc1cc(F)ccc1CN(C)CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1 ZINC000487987757 561380678 /nfs/dbraw/zinc/38/06/78/561380678.db2.gz LAULZIOFMROIBU-IBGZPJMESA-N 1 0 360.477 2.258 20 30 FEEDRO CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)Nc2cccc(C#N)c2C)CC1=O ZINC000245668565 548970104 /nfs/dbraw/zinc/97/01/04/548970104.db2.gz BSRIZBVBJMJJPE-IRXDYDNUSA-N 1 0 354.454 2.138 20 30 FEEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2C[C@@H](C(N)=O)CC[C@H]2C)c1 ZINC000245842809 549002995 /nfs/dbraw/zinc/00/29/95/549002995.db2.gz HSHXCCXHNRLVKK-SJORKVTESA-N 1 0 356.470 2.136 20 30 FEEDRO C[S@](=O)C[C@H]([NH2+]C[C@@H](O)COc1ccc(C#N)cc1)c1ccccc1 ZINC000245907590 549015969 /nfs/dbraw/zinc/01/59/69/549015969.db2.gz UKELCVKGBXPLFW-MIAKESKMSA-N 1 0 358.463 2.007 20 30 FEEDRO COc1ccc([C@@H](C)[N@H+](C)CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)cc1 ZINC000246203358 549076743 /nfs/dbraw/zinc/07/67/43/549076743.db2.gz YAMZDMFNPBOUGR-YLJYHZDGSA-N 1 0 372.513 2.380 20 30 FEEDRO C[C@H](Oc1ccccc1C#N)C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000246682189 549188038 /nfs/dbraw/zinc/18/80/38/549188038.db2.gz MNVDQDAXMPJLPZ-ZYSHUDEJSA-N 1 0 371.481 2.210 20 30 FEEDRO C[C@@H](CNC(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1)C[NH+]1CCCC1 ZINC000246704542 549192615 /nfs/dbraw/zinc/19/26/15/549192615.db2.gz KMEAIZJDMZHLGE-ICSRJNTNSA-N 1 0 369.513 2.138 20 30 FEEDRO CCC[N@@H+]1CC[C@H](CNC(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)C1 ZINC000246715244 549194167 /nfs/dbraw/zinc/19/41/67/549194167.db2.gz MENRQULVBBANPD-UXHICEINSA-N 1 0 369.513 2.138 20 30 FEEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1CC(=O)N[C@](C)(C#N)C1CC1 ZINC000247142201 549290861 /nfs/dbraw/zinc/29/08/61/549290861.db2.gz YAFYDFMNDPVIQI-DYESRHJHSA-N 1 0 354.498 2.391 20 30 FEEDRO CC[C@H]1CCC[N@@H+](C(C)(C)CNS(=O)(=O)c2cnc(C)c(C#N)c2)C1 ZINC000489248577 561406518 /nfs/dbraw/zinc/40/65/18/561406518.db2.gz GXZGJXGFOWFNKR-HNNXBMFYSA-N 1 0 364.515 2.441 20 30 FEEDRO C[C@@H]1CCN(CC(=O)N[C@](C)(C#N)C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000247705065 549373209 /nfs/dbraw/zinc/37/32/09/549373209.db2.gz YRCYEDCWTWCRNB-DYESRHJHSA-N 1 0 354.498 2.391 20 30 FEEDRO Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2CCO[C@@]3(CCOC3)C2)cc1 ZINC000248905348 549525305 /nfs/dbraw/zinc/52/53/05/549525305.db2.gz BCXGXTLXEMIOMB-PXNSSMCTSA-N 1 0 357.454 2.122 20 30 FEEDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000249144667 549560181 /nfs/dbraw/zinc/56/01/81/549560181.db2.gz GELVSELWBOTGLW-RYUDHWBXSA-N 1 0 357.426 2.235 20 30 FEEDRO CC(C)Oc1ccc(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)cc1C#N ZINC000249170675 549563980 /nfs/dbraw/zinc/56/39/80/549563980.db2.gz LFGVRBJVFQDEAE-WMLDXEAASA-N 1 0 372.469 2.083 20 30 FEEDRO C=C(C)COc1cccc(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000249172072 549564060 /nfs/dbraw/zinc/56/40/60/549564060.db2.gz LKIDJHDABLENML-MAUKXSAKSA-N 1 0 359.470 2.379 20 30 FEEDRO CCOc1c(Br)cc(Br)cc1C=NNC(N)=[NH2+] ZINC000252448194 549665765 /nfs/dbraw/zinc/66/57/65/549665765.db2.gz TUBZFZOFXHQTBD-UHFFFAOYSA-N 1 0 364.041 2.427 20 30 FEEDRO Cc1csc(CNC(NCc2nnc(C)n2C)=[NH+]C2CCCCC2)n1 ZINC000261953686 549773706 /nfs/dbraw/zinc/77/37/06/549773706.db2.gz IEOXSJBZOFIZEV-UHFFFAOYSA-N 1 0 361.519 2.457 20 30 FEEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)C2(C[NH3+])CCOCC2)cc1 ZINC000261991364 549778186 /nfs/dbraw/zinc/77/81/86/549778186.db2.gz SSQBEDWELRBZKS-UHFFFAOYSA-N 1 0 357.454 2.195 20 30 FEEDRO C[NH+]=C(NCCc1cn2ccccc2n1)N1CC[C@@H](Oc2ccccn2)C1 ZINC000262012590 549779289 /nfs/dbraw/zinc/77/92/89/549779289.db2.gz WXSZWNLWVJDCLZ-QGZVFWFLSA-N 1 0 364.453 2.001 20 30 FEEDRO [NH2+]=C(NCc1cccc(C(F)(F)F)c1)NC[C@@H]1COC2(CCOCC2)O1 ZINC000262166159 549794745 /nfs/dbraw/zinc/79/47/45/549794745.db2.gz OPCXADGJHIZHNP-CQSZACIVSA-N 1 0 373.375 2.032 20 30 FEEDRO CC[NH+]=C(NCc1nnc2n1CCCCC2)NCc1sc(C)nc1C ZINC000262348439 549813089 /nfs/dbraw/zinc/81/30/89/549813089.db2.gz DRGZBFXFVDUPFQ-UHFFFAOYSA-N 1 0 361.519 2.333 20 30 FEEDRO Cc1nnc2n1C[C@H](CNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1)CC2 ZINC000262522919 549826117 /nfs/dbraw/zinc/82/61/17/549826117.db2.gz JJBMCRQGIDATQY-NSHDSACASA-N 1 0 368.363 2.474 20 30 FEEDRO N#Cc1ccc(NC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)c(Cl)c1 ZINC000490373062 561431837 /nfs/dbraw/zinc/43/18/37/561431837.db2.gz OJHCAJTZSKTZHI-CQSZACIVSA-N 1 0 360.845 2.237 20 30 FEEDRO C=CCc1ccccc1OC[C@H](O)C[N@H+]1C[C@H](CC)[C@H](N2CCOCC2)C1 ZINC000490415570 561432685 /nfs/dbraw/zinc/43/26/85/561432685.db2.gz KGNCRKPHAGZDPA-CEWLAPEOSA-N 1 0 374.525 2.197 20 30 FEEDRO C[NH+]=C(NCC[S@](=O)Cc1ccccc1)N1CCC2(C1)CCOCC2 ZINC000262786375 549849942 /nfs/dbraw/zinc/84/99/42/549849942.db2.gz MPRLICYRULKLJB-VWLOTQADSA-N 1 0 363.527 2.013 20 30 FEEDRO C[NH+]=C(NCc1ncccc1C)N[C@H]1CCN(c2cccc(OC)c2)C1 ZINC000262806489 549851522 /nfs/dbraw/zinc/85/15/22/549851522.db2.gz SVTRQAFPCCOJIT-INIZCTEOSA-N 1 0 353.470 2.343 20 30 FEEDRO CCOC(=O)N1CCC(NC(=[NH2+])NCc2ccc(OC(F)F)cc2)CC1 ZINC000264058960 549973724 /nfs/dbraw/zinc/97/37/24/549973724.db2.gz BYYDLAUJXLCWMI-UHFFFAOYSA-N 1 0 370.400 2.313 20 30 FEEDRO CCN(CC)C(=[NH2+])NCc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000264068764 549974868 /nfs/dbraw/zinc/97/48/68/549974868.db2.gz CMTYFVRAISGEQE-UHFFFAOYSA-N 1 0 352.504 2.018 20 30 FEEDRO COc1cc(CNC(=[NH2+])N[C@H](C)CCCC(C)C)ccc1OCC(N)=O ZINC000264079994 549976865 /nfs/dbraw/zinc/97/68/65/549976865.db2.gz HBMINCNGWHWDQQ-CQSZACIVSA-N 1 0 364.490 2.178 20 30 FEEDRO COc1ccc(CNC(=[NH2+])NCc2cccc(NC(C)=O)c2)cc1OC ZINC000264112093 549980476 /nfs/dbraw/zinc/98/04/76/549980476.db2.gz PBWQXUZXLXJQAH-UHFFFAOYSA-N 1 0 356.426 2.267 20 30 FEEDRO COc1ccc(CNC(=[NH2+])NCCn2c(C)nc3ccccc32)cc1OC ZINC000264141485 549984256 /nfs/dbraw/zinc/98/42/56/549984256.db2.gz WRQDKOFHGYQFFL-UHFFFAOYSA-N 1 0 367.453 2.466 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)Nc2cccc([C@@H](C)N3CCOCC3)c2)CC1 ZINC000264285781 549993736 /nfs/dbraw/zinc/99/37/36/549993736.db2.gz VFAMPUXUDUNPDO-QGZVFWFLSA-N 1 0 355.482 2.364 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N2CCN(c3ccccc3OC)CC2)CC1 ZINC000264333118 549994764 /nfs/dbraw/zinc/99/47/64/549994764.db2.gz FXDAGOXOZJWQLA-UHFFFAOYSA-N 1 0 358.486 2.177 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)[C@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)CC1 ZINC000264370149 549995028 /nfs/dbraw/zinc/99/50/28/549995028.db2.gz JJFNUNXPIOJKFP-WMZOPIPTSA-N 1 0 355.482 2.363 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](C)C(=O)NCc2ccccc2)CC1 ZINC000264369388 549995521 /nfs/dbraw/zinc/99/55/21/549995521.db2.gz ISENQJKIIRTVGI-INIZCTEOSA-N 1 0 358.486 2.031 20 30 FEEDRO C[C@H](CC[NH+](C)C)NC(=O)C(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000264807019 550001626 /nfs/dbraw/zinc/00/16/26/550001626.db2.gz ZEQFUQKRMQEQCU-UONOGXRCSA-N 1 0 362.499 2.333 20 30 FEEDRO C#CCOc1ccccc1CNC(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000265160487 550007478 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C[C@H](C#N)CN(C)C(=O)NCCN1CCN(c2cccc(Cl)c2)CC1 ZINC000269061583 550150298 /nfs/dbraw/zinc/15/02/98/550150298.db2.gz ZYRVHRPEQWMOEC-OAHLLOKOSA-N 1 0 363.893 2.263 20 30 FEEDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccc(C#N)cc2Cl)C1 ZINC000269076953 550151784 /nfs/dbraw/zinc/15/17/84/550151784.db2.gz GXIQRRXCCXDYHN-CQSZACIVSA-N 1 0 362.861 2.244 20 30 FEEDRO C=CCN1C(=S)N=NC1c1sc(NC(=O)[C@H]([NH3+])C(C)C)nc1C ZINC000269074997 550152015 /nfs/dbraw/zinc/15/20/15/550152015.db2.gz BPFWBVKHLRKZTB-SECBINFHSA-N 1 0 352.489 2.107 20 30 FEEDRO C[C@H](CNC(=O)C(=O)Nc1ccc(C#N)cc1Cl)[N@@H+]1CCC[C@H](C)C1 ZINC000269108972 550156306 /nfs/dbraw/zinc/15/63/06/550156306.db2.gz PWEIKSVJHHOPDE-QWHCGFSZSA-N 1 0 362.861 2.387 20 30 FEEDRO COc1ccc([C@H](C#N)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C3CC3)CC2)cc1 ZINC000492817531 561452899 /nfs/dbraw/zinc/45/28/99/561452899.db2.gz KVHSRHYMFPQSKW-UXHICEINSA-N 1 0 368.481 2.031 20 30 FEEDRO CC(C)Oc1ccc(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1C#N ZINC000269411859 550192178 /nfs/dbraw/zinc/19/21/78/550192178.db2.gz ZWTAXRIZPDVACL-IRXDYDNUSA-N 1 0 370.453 2.027 20 30 FEEDRO COCCNC(=O)[C@H](CC(C)C)[NH2+]Cc1ccc(N(C)CCC#N)cc1 ZINC000270063257 550246252 /nfs/dbraw/zinc/24/62/52/550246252.db2.gz GVDMIWHUSKEYRV-IBGZPJMESA-N 1 0 360.502 2.303 20 30 FEEDRO C[NH+]1CCC([C@H]2CCN(C(=O)C(=O)Nc3ccc(Cl)c(C#N)c3)C2)CC1 ZINC000270082463 550247815 /nfs/dbraw/zinc/24/78/15/550247815.db2.gz FIQQWJPJGSMMCR-AWEZNQCLSA-N 1 0 374.872 2.340 20 30 FEEDRO C[NH+](C)CCn1c2cc(NC(=O)c3ccc(CC#N)cc3)ccc2oc1=O ZINC000270346000 550263384 /nfs/dbraw/zinc/26/33/84/550263384.db2.gz MPAVVPRTKVMQPN-UHFFFAOYSA-N 1 0 364.405 2.474 20 30 FEEDRO C#CC[C@H](NC(=O)NC[C@H](C)C[NH+]1CCN(CC)CC1)c1ccccc1 ZINC000270478422 550275977 /nfs/dbraw/zinc/27/59/77/550275977.db2.gz WFMNZWNDEOLZNT-ICSRJNTNSA-N 1 0 356.514 2.324 20 30 FEEDRO N#Cc1ccc(CC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)cc1 ZINC000270572761 550284769 /nfs/dbraw/zinc/28/47/69/550284769.db2.gz BUPDJVMQBKEWNS-SFTDATJTSA-N 1 0 363.461 2.100 20 30 FEEDRO CS[C@H]1CN(CC(=O)Nc2sc(C)c(C)c2C#N)C[C@H]1[NH+](C)C ZINC000270686922 550297031 /nfs/dbraw/zinc/29/70/31/550297031.db2.gz WLZZDTRVJFLZMN-KGLIPLIRSA-N 1 0 352.529 2.153 20 30 FEEDRO N#CCc1ccc(C(=O)N[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2CO)cc1 ZINC000270810415 550309181 /nfs/dbraw/zinc/30/91/81/550309181.db2.gz GYEJJWABDOYKKB-RTWAWAEBSA-N 1 0 363.461 2.365 20 30 FEEDRO C=CCSCC[NH2+]C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 ZINC000494046641 561461469 /nfs/dbraw/zinc/46/14/69/561461469.db2.gz DWKGHTVCAGYFMQ-UHFFFAOYSA-N 1 0 370.540 2.357 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N2CCN(C)[C@H](Cc3ccccc3)C2)CC1 ZINC000494104299 561462617 /nfs/dbraw/zinc/46/26/17/561462617.db2.gz BYTIGAYQXHHJER-HXUWFJFHSA-N 1 0 356.514 2.205 20 30 FEEDRO C=CCNC(=O)C[NH2+][C@@H]1CC(=O)N(C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000494204015 561464496 /nfs/dbraw/zinc/46/44/96/561464496.db2.gz GYIOBHXXDUORAN-QAPCUYQASA-N 1 0 367.852 2.421 20 30 FEEDRO C[C@@H]1OCC[C@]1(C)[NH2+]CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000494207096 561464539 /nfs/dbraw/zinc/46/45/39/561464539.db2.gz BAQGDFBKZMNLOD-GUYCJALGSA-N 1 0 354.372 2.330 20 30 FEEDRO C=CCN(C(=O)NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)C1CC1 ZINC000271569137 550386535 /nfs/dbraw/zinc/38/65/35/550386535.db2.gz PJAXQNGFLVDEPH-GOSISDBHSA-N 1 0 370.497 2.244 20 30 FEEDRO C#CCC[NH+]1CCN(C[C@H](O)CO[C@H](C)c2ccc(Cl)cc2)CC1 ZINC000272003599 550415967 /nfs/dbraw/zinc/41/59/67/550415967.db2.gz INOWDCXHOLROAN-APWZRJJASA-N 1 0 350.890 2.419 20 30 FEEDRO Cc1cc(NC(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)nn1CCC#N ZINC000272142603 550425347 /nfs/dbraw/zinc/42/53/47/550425347.db2.gz WTEXBPWUANPUAL-KRWDZBQOSA-N 1 0 354.458 2.400 20 30 FEEDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)Nc3ccccc3SCCC#N)[C@@H]2C1 ZINC000272358760 550440586 /nfs/dbraw/zinc/44/05/86/550440586.db2.gz RVNWMWNHXRAYJC-GDBMZVCRSA-N 1 0 372.494 2.183 20 30 FEEDRO COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1 ZINC000273018033 550480755 /nfs/dbraw/zinc/48/07/55/550480755.db2.gz SXESXEPPXWPZES-INIZCTEOSA-N 1 0 356.470 2.367 20 30 FEEDRO N#Cc1ccc(/C=C/C(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)cc1 ZINC000273135081 550486821 /nfs/dbraw/zinc/48/68/21/550486821.db2.gz SGTXPCUSWMAWDP-GLCJEOIMSA-N 1 0 361.445 2.454 20 30 FEEDRO CS[C@@H]1CN(C(=O)Cc2ccc(OCC#N)cc2)C[C@H]1[NH+]1CCCC1 ZINC000273573039 550503774 /nfs/dbraw/zinc/50/37/74/550503774.db2.gz ZUBNYFGMSFQBGD-QZTJIDSGSA-N 1 0 359.495 2.170 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1cc(OC(F)F)n(C)n1)C(C)C ZINC000274299603 550531461 /nfs/dbraw/zinc/53/14/61/550531461.db2.gz RYVWRSDHZCCZMN-AWEZNQCLSA-N 1 0 356.417 2.450 20 30 FEEDRO C=CCc1ccc(OC[C@H](O)C[NH2+][C@H](CCO)c2ccco2)c(OC)c1 ZINC000274400353 550536049 /nfs/dbraw/zinc/53/60/49/550536049.db2.gz JOYSWAVXPOHPFG-IAGOWNOFSA-N 1 0 361.438 2.470 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC(Cn2cncn2)CC1)C(C)C ZINC000275266843 550571151 /nfs/dbraw/zinc/57/11/51/550571151.db2.gz PYQGKGOHIKDIPF-LJQANCHMSA-N 1 0 374.533 2.398 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1c[nH]nc1-c1cnn(C)c1)C(C)C ZINC000275498682 550572505 /nfs/dbraw/zinc/57/25/05/550572505.db2.gz LEVWWAQJNXLDIV-KRWDZBQOSA-N 1 0 356.474 2.239 20 30 FEEDRO CSc1cccc(NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C)c1C ZINC000275897813 550575151 /nfs/dbraw/zinc/57/51/51/550575151.db2.gz QLAFQZSGXNLDEK-UHFFFAOYSA-N 1 0 362.499 2.349 20 30 FEEDRO CCN(CCC[NH+](C)C)C(=O)C(=O)Nc1cccc(OCCCC#N)c1 ZINC000276241406 550577501 /nfs/dbraw/zinc/57/75/01/550577501.db2.gz KYSOPOSQBRDLTO-UHFFFAOYSA-N 1 0 360.458 2.108 20 30 FEEDRO C=CCCN(C)C(=O)C(=O)Nc1ccccc1CN1C[C@@H](C)O[C@H](C)C1 ZINC000276513645 550578849 /nfs/dbraw/zinc/57/88/49/550578849.db2.gz XWMJTAYJYQHCPP-HZPDHXFCSA-N 1 0 359.470 2.269 20 30 FEEDRO C[NH+](C)[C@H]1CCCN(C(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000277216672 550644484 /nfs/dbraw/zinc/64/44/84/550644484.db2.gz YKWUTTLXEAGWIC-KRWDZBQOSA-N 1 0 356.470 2.369 20 30 FEEDRO CCCn1ccnc1CCC[N@H+](C)CC(=O)NCc1ccc(C#N)cc1 ZINC000277236117 550646467 /nfs/dbraw/zinc/64/64/67/550646467.db2.gz PDMDJEOXIAJKQN-UHFFFAOYSA-N 1 0 353.470 2.346 20 30 FEEDRO C[C@H]1COCC[C@H]1[NH2+]CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000277557210 550684250 /nfs/dbraw/zinc/68/42/50/550684250.db2.gz TXMPHWIEXBCROI-XJKSGUPXSA-N 1 0 354.372 2.188 20 30 FEEDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)/C=C/c1ccc(OCC#N)cc1 ZINC000278485270 550791472 /nfs/dbraw/zinc/79/14/72/550791472.db2.gz LGURWTNCQMTXED-BBOMDTFKSA-N 1 0 369.465 2.314 20 30 FEEDRO N#Cc1ccc(N2CCC[C@H](NC(=O)C3CC[NH+](C4CC4)CC3)C2=O)cc1 ZINC000278823345 550825784 /nfs/dbraw/zinc/82/57/84/550825784.db2.gz PVLSWJNENHMCFN-IBGZPJMESA-N 1 0 366.465 2.044 20 30 FEEDRO N#Cc1c(NC(=O)CC[N@@H+]2CC[C@]3(CNC(=O)C3)C2)sc2c1CCCC2 ZINC000278919329 550835957 /nfs/dbraw/zinc/83/59/57/550835957.db2.gz RIMJQXGAZUWDEK-IBGZPJMESA-N 1 0 372.494 2.039 20 30 FEEDRO C#CCn1ccc(CN(CC)C(=O)NCC[N@H+](C)Cc2ccc(F)cc2)n1 ZINC000279428673 550889297 /nfs/dbraw/zinc/88/92/97/550889297.db2.gz JBLCVEBZHDVABI-UHFFFAOYSA-N 1 0 371.460 2.319 20 30 FEEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)CCc3ccc(=O)[nH]c3)CC2)cc1 ZINC000279656538 550913411 /nfs/dbraw/zinc/91/34/11/550913411.db2.gz CNPYKBWZFGOCOL-UHFFFAOYSA-N 1 0 364.449 2.326 20 30 FEEDRO C[C@@H]1C[NH+](CCCCNC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)C[C@@H](C)O1 ZINC000280172599 550967711 /nfs/dbraw/zinc/96/77/11/550967711.db2.gz CKMBFCOWZHLBRQ-HLIPFELVSA-N 1 0 368.481 2.246 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Cn1cnc2sccc2c1=O)C(C)C ZINC000496013076 561491842 /nfs/dbraw/zinc/49/18/42/561491842.db2.gz GUUDOHBITMZIGX-INIZCTEOSA-N 1 0 374.510 2.273 20 30 FEEDRO CN1CC[N@H+](C)C[C@H]1CNc1nc2c(c(C#N)c1C#N)CCCCCC2 ZINC000280705566 551023585 /nfs/dbraw/zinc/02/35/85/551023585.db2.gz KPRPBTUCVMJHCW-OAHLLOKOSA-N 1 0 352.486 2.142 20 30 FEEDRO N#Cc1ccc(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)cc1 ZINC000281029362 551056264 /nfs/dbraw/zinc/05/62/64/551056264.db2.gz QDXCXAIQEMRSDP-SFHVURJKSA-N 1 0 354.454 2.410 20 30 FEEDRO C=CCN1CC[C@H]([N@@H+](C)C[C@@H](O)CO[C@@H](C)c2ccc(Cl)cc2)C1=O ZINC000281197539 551072927 /nfs/dbraw/zinc/07/29/27/551072927.db2.gz CDIQMEVWKUJMNT-QGTPRVQTSA-N 1 0 366.889 2.497 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC000281449436 551099036 /nfs/dbraw/zinc/09/90/36/551099036.db2.gz UPRUSTRUPYLLRR-FMKPAKJESA-N 1 0 363.483 2.082 20 30 FEEDRO CC[N@H+](CCOCCO)[C@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000281883159 551152742 /nfs/dbraw/zinc/15/27/42/551152742.db2.gz ALAUBNOVSZUVJX-GOSISDBHSA-N 1 0 361.486 2.269 20 30 FEEDRO Cc1ccc(C[NH2+]CCNC(=O)C2N=CC=CC2=O)c(-c2cnn(C)c2)c1 ZINC000282624284 551253195 /nfs/dbraw/zinc/25/31/95/551253195.db2.gz JUTWTBBHAAUCJI-VXPUYCOJSA-N 1 0 365.437 2.012 20 30 FEEDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)COc3ccccc3)C2)cc1C#N ZINC000282951331 551288970 /nfs/dbraw/zinc/28/89/70/551288970.db2.gz JRRWTDQMWBCYJQ-GOSISDBHSA-N 1 0 365.433 2.336 20 30 FEEDRO CC(C)N(Cc1ccc(C#N)cc1)C(=O)C(=O)NCCC[NH+]1CCCCC1 ZINC000283558285 551387555 /nfs/dbraw/zinc/38/75/55/551387555.db2.gz RBFOCOQKPKHXOJ-UHFFFAOYSA-N 1 0 370.497 2.287 20 30 FEEDRO CCCC[NH+]1CCC(NC(=O)C(=O)N[C@H](C)c2ccc(C#N)cc2)CC1 ZINC000283848664 551437635 /nfs/dbraw/zinc/43/76/35/551437635.db2.gz FORTVIASYUPWJB-OAHLLOKOSA-N 1 0 356.470 2.116 20 30 FEEDRO C[C@H](NC(=O)C(=O)NC[C@@H](c1cccs1)[NH+](C)C)c1ccc(C#N)cc1 ZINC000284398711 551540727 /nfs/dbraw/zinc/54/07/27/551540727.db2.gz MZXXQIXRRIVLMG-BBRMVZONSA-N 1 0 370.478 2.216 20 30 FEEDRO C[C@@H]1CCC[N@H+](CCCCNC(=O)C(=O)N(C)Cc2cccc(C#N)c2)C1 ZINC000284400032 551541206 /nfs/dbraw/zinc/54/12/06/551541206.db2.gz JBLJNIDZILARAD-QGZVFWFLSA-N 1 0 370.497 2.145 20 30 FEEDRO C=CCN(CC=C)C(=O)C(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000284474846 551556908 /nfs/dbraw/zinc/55/69/08/551556908.db2.gz OJEMYWPGJSHVKR-UHFFFAOYSA-N 1 0 355.482 2.276 20 30 FEEDRO C=CCSCCNC(=O)C(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000284570062 551579724 /nfs/dbraw/zinc/57/97/24/551579724.db2.gz USVKUALCNOORNT-UHFFFAOYSA-N 1 0 363.527 2.178 20 30 FEEDRO C#CCCOc1ccc(C[NH2+][C@@H]2CCC(=O)N(C)[C@H]2c2ccnn2C)cc1 ZINC000284571915 551580230 /nfs/dbraw/zinc/58/02/30/551580230.db2.gz PBYWTCDZJHRHAU-WIYYLYMNSA-N 1 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ZINC000285563261 551775333 /nfs/dbraw/zinc/77/53/33/551775333.db2.gz CCWNOMIIUANFDV-UHFFFAOYSA-N 1 0 363.889 2.155 20 30 FEEDRO COc1ccc([C@H](C)[NH2+]CCNC(=O)C2N=CC=CC2=O)c(C)c1OC ZINC000285946251 551830287 /nfs/dbraw/zinc/83/02/87/551830287.db2.gz DUBGCHWEHQRXRN-HDRCJFCASA-N 1 0 359.426 2.189 20 30 FEEDRO N#Cc1ccc(N2CCC([NH2+]Cc3cccc(OCC(N)=O)c3)CC2)cc1 ZINC000286331114 551875169 /nfs/dbraw/zinc/87/51/69/551875169.db2.gz XXDZMXYPEQCSJG-UHFFFAOYSA-N 1 0 364.449 2.181 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCC2(c3cccc(F)c3)CC2)CC1 ZINC000286477904 551890623 /nfs/dbraw/zinc/89/06/23/551890623.db2.gz JBJBVGAUCOBYHF-UHFFFAOYSA-N 1 0 373.472 2.130 20 30 FEEDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000286541177 551897653 /nfs/dbraw/zinc/89/76/53/551897653.db2.gz CDJHOUVCCCTIJY-SWLSCSKDSA-N 1 0 353.875 2.459 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCC[C@H]2c2ccccc2)CC1 ZINC000286624311 551907409 /nfs/dbraw/zinc/90/74/09/551907409.db2.gz MBRDFFWTZDKZJO-OALUTQOASA-N 1 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CC[NH+](CC)[C@H](C)CNC(=O)Nc1ccc(S(=O)(=O)[C@@H](C)C#N)cc1 ZINC000287487572 552010587 /nfs/dbraw/zinc/01/05/87/552010587.db2.gz ZKNGQPNOPZAGOJ-KGLIPLIRSA-N 1 0 366.487 2.224 20 30 FEEDRO CN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCCCCC[NH+]1CCCCC1 ZINC000287510701 552013539 /nfs/dbraw/zinc/01/35/39/552013539.db2.gz ULJBODZWGIWECZ-UHFFFAOYSA-N 1 0 370.497 2.289 20 30 FEEDRO CC(C)(C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)c1cc(F)cc(C#N)c1 ZINC000287723352 552038550 /nfs/dbraw/zinc/03/85/50/552038550.db2.gz YBUSOUOSWBZEIM-OAHLLOKOSA-N 1 0 359.445 2.156 20 30 FEEDRO C[C@@H](C(=O)N(CCC#N)CCC[NH+](C)C)n1ccc2ccccc2c1=O ZINC000287754585 552042499 /nfs/dbraw/zinc/04/24/99/552042499.db2.gz LRIUCLCWEOULQE-INIZCTEOSA-N 1 0 354.454 2.256 20 30 FEEDRO CC[NH+](CC)CCOCCNC(=O)c1cnc(C(F)(F)F)c(C#N)c1 ZINC000499427055 561550824 /nfs/dbraw/zinc/55/08/24/561550824.db2.gz HPCZFHKJLOAWMC-UHFFFAOYSA-N 1 0 358.364 2.060 20 30 FEEDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)C(=O)Nc1ccc(Cl)c(C#N)c1 ZINC000287996746 552072847 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30 FEEDRO Cc1ccc(C#N)c(NCCCC[NH+]2CCN(c3ncccn3)CC2)n1 ZINC000500254371 561568865 /nfs/dbraw/zinc/56/88/65/561568865.db2.gz QPZXODRIRXJBEF-UHFFFAOYSA-N 1 0 351.458 2.066 20 30 FEEDRO CC(C)[C@](C)([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2)C(N)=O ZINC000289345256 552304715 /nfs/dbraw/zinc/30/47/15/552304715.db2.gz MIAJTLIVWPZFIO-SFHVURJKSA-N 1 0 362.499 2.317 20 30 FEEDRO CCN(CCC#N)C(=O)C[NH2+][C@@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 ZINC000289361371 552307087 /nfs/dbraw/zinc/30/70/87/552307087.db2.gz IVUYLBJFEWATHM-AEFFLSMTSA-N 1 0 350.413 2.062 20 30 FEEDRO CCN(CCC#N)C(=O)C[NH2+][C@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 ZINC000289361374 552307216 /nfs/dbraw/zinc/30/72/16/552307216.db2.gz IVUYLBJFEWATHM-WMZOPIPTSA-N 1 0 350.413 2.062 20 30 FEEDRO N#Cc1ccc(OCC[N@H+]2CCC[C@@H](CNC(=O)C(F)(F)F)C2)cc1 ZINC000289495631 552331177 /nfs/dbraw/zinc/33/11/77/552331177.db2.gz PNUFCOSPPJYACO-AWEZNQCLSA-N 1 0 355.360 2.328 20 30 FEEDRO C=CCn1c(-c2ccccc2)nnc1N1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000289562902 552341396 /nfs/dbraw/zinc/34/13/96/552341396.db2.gz GEFNWGVAKREEPG-LJQANCHMSA-N 1 0 366.513 2.347 20 30 FEEDRO C=C[C@@](C)(O)CC(=O)NCc1ccc(OCC[NH+](CC)CC)c(OC)c1 ZINC000289761224 552374520 /nfs/dbraw/zinc/37/45/20/552374520.db2.gz IFGXEYLGIFJJBF-HXUWFJFHSA-N 1 0 364.486 2.359 20 30 FEEDRO N#CCOc1ccc(C[NH2+][C@H]2CCCc3ccc(S(N)(=O)=O)cc32)cc1 ZINC000290739438 552528938 /nfs/dbraw/zinc/52/89/38/552528938.db2.gz PZHRVSWUDVWRBZ-IBGZPJMESA-N 1 0 371.462 2.404 20 30 FEEDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)C1 ZINC000291636950 552646278 /nfs/dbraw/zinc/64/62/78/552646278.db2.gz BZNUORNUOFBJKV-ROUUACIJSA-N 1 0 371.485 2.236 20 30 FEEDRO Cc1nc(N2CCC(C(=O)NCCC[NH+]3CCCCC3)CC2)ccc1C#N ZINC000291646205 552646980 /nfs/dbraw/zinc/64/69/80/552646980.db2.gz NDVHCBYNMJHOSG-UHFFFAOYSA-N 1 0 369.513 2.470 20 30 FEEDRO C[NH+](C)C[C@H]1CCc2ccccc2N1S(=O)(=O)c1cncc(C#N)c1 ZINC000291944840 552677468 /nfs/dbraw/zinc/67/74/68/552677468.db2.gz YUJZKHHIAZJDDN-MRXNPFEDSA-N 1 0 356.451 2.025 20 30 FEEDRO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CC[C@@H](n3cccn3)C2)c(OC)c1 ZINC000292014056 552684853 /nfs/dbraw/zinc/68/48/53/552684853.db2.gz XXUXJAWFWXBIMH-QZTJIDSGSA-N 1 0 357.454 2.307 20 30 FEEDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2cc(C#N)cc(N(C)C)c2)[C@@H](C)C1 ZINC000292839237 552763782 /nfs/dbraw/zinc/76/37/82/552763782.db2.gz VOUBALNFMMGKFW-JXFKEZNVSA-N 1 0 372.513 2.491 20 30 FEEDRO Cc1ccc([C@H](CNC(=O)C(=O)Nc2sccc2C#N)[NH+](C)C)cc1 ZINC000293027579 552781729 /nfs/dbraw/zinc/78/17/29/552781729.db2.gz IRDDRJIUAHYROX-HNNXBMFYSA-N 1 0 356.451 2.286 20 30 FEEDRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)C(=O)Nc1ccc(C#N)cn1 ZINC000293073680 552786339 /nfs/dbraw/zinc/78/63/39/552786339.db2.gz PVBQWBLWJMGCKX-UHFFFAOYSA-N 1 0 365.437 2.048 20 30 FEEDRO Cc1cccc(NC(=O)C(=O)N2CC[N@@H+](C3CCC3)C[C@H](C)C2)c1C#N ZINC000293335257 552812691 /nfs/dbraw/zinc/81/26/91/552812691.db2.gz DHQBRRUTFKNSQX-AWEZNQCLSA-N 1 0 354.454 2.138 20 30 FEEDRO C#CC[N@@H+](C)CCCNC(=O)c1cc([N+](=O)[O-])ccc1SCCOC ZINC000293912785 552867338 /nfs/dbraw/zinc/86/73/38/552867338.db2.gz GFRKMNDEZIWRMU-UHFFFAOYSA-N 1 0 365.455 2.018 20 30 FEEDRO CCOc1cc(C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)on1 ZINC000294233676 552889945 /nfs/dbraw/zinc/88/99/45/552889945.db2.gz BUYOPOXLTDHGFP-UHFFFAOYSA-N 1 0 354.410 2.293 20 30 FEEDRO CN(C)c1cc(C#N)cc(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)c1 ZINC000294302677 552895373 /nfs/dbraw/zinc/89/53/73/552895373.db2.gz QYIKEZRQAXOESF-UXHICEINSA-N 1 0 370.497 2.122 20 30 FEEDRO C#CCCOc1ccc(C(=O)NCC2([NH+]3CCCC3)CCOCC2)cc1 ZINC000294741469 552930669 /nfs/dbraw/zinc/93/06/69/552930669.db2.gz YCOWSFITTBBFHS-UHFFFAOYSA-N 1 0 356.466 2.464 20 30 FEEDRO CN(C)CC[N@H+](C)CCCN(C)c1ncc(Br)cc1C#N ZINC000295692701 553045507 /nfs/dbraw/zinc/04/55/07/553045507.db2.gz ORBBMSZZHCVGJB-UHFFFAOYSA-N 1 0 354.296 2.035 20 30 FEEDRO N#Cc1c(C#N)c(NCC[NH+]2CCC(O)CC2)nc2c1CCCCCC2 ZINC000296033063 553092895 /nfs/dbraw/zinc/09/28/95/553092895.db2.gz PGAANEWTDXARIX-UHFFFAOYSA-N 1 0 353.470 2.353 20 30 FEEDRO N#Cc1ccccc1N1CCN(C(=O)NC2CC[NH+](C3CCC3)CC2)CC1 ZINC000296990703 553239412 /nfs/dbraw/zinc/23/94/12/553239412.db2.gz HUSJRLMVLDOPLY-UHFFFAOYSA-N 1 0 367.497 2.407 20 30 FEEDRO C=CCNC(=O)NC(=O)C[N@@H+](CCC)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000502939781 561630541 /nfs/dbraw/zinc/63/05/41/561630541.db2.gz MYYANRLXKOPDIL-HNNXBMFYSA-N 1 0 360.458 2.128 20 30 FEEDRO CN(CCNC(=O)OC(C)(C)C)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000297285650 553273461 /nfs/dbraw/zinc/27/34/61/553273461.db2.gz ABRYDXXSLQTGFM-MRXNPFEDSA-N 1 0 358.442 2.120 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cn(C)nc2C2CCCCC2)CC1 ZINC000297435824 553292142 /nfs/dbraw/zinc/29/21/42/553292142.db2.gz PPHJICZELURZRR-UHFFFAOYSA-N 1 0 373.501 2.173 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N2CCC(CO)(c3ccccc3)CC2)CC1 ZINC000297690520 553325259 /nfs/dbraw/zinc/32/52/59/553325259.db2.gz OWUGZMVMGJWXEP-UHFFFAOYSA-N 1 0 357.498 2.373 20 30 FEEDRO CC[N@H+](CCNC(=O)N1CCC(C#N)(COC)CC1)CCC(F)(F)F ZINC000503113101 561634493 /nfs/dbraw/zinc/63/44/93/561634493.db2.gz VCRFXBRGIOZBOW-UHFFFAOYSA-N 1 0 364.412 2.222 20 30 FEEDRO C[C@@H](C#N)N(C)C(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1c1cnn(C)c1 ZINC000297929439 553358802 /nfs/dbraw/zinc/35/88/02/553358802.db2.gz SAUKKYPEJLQHGQ-IPELMVKDSA-N 1 0 351.454 2.006 20 30 FEEDRO COC(=O)[C@@H]1CCCCC[C@@H]1[NH2+][C@H]1CCN(c2sccc2C#N)C1=O ZINC000298051844 553377677 /nfs/dbraw/zinc/37/76/77/553377677.db2.gz FKCIOHXKEWSVSA-ILXRZTDVSA-N 1 0 361.467 2.437 20 30 FEEDRO CCO[C@@H]1C[C@H]([NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)[C@H]1SC ZINC000298130427 553387952 /nfs/dbraw/zinc/38/79/52/553387952.db2.gz PYDMVCNPCBDTKE-WNRNVDISSA-N 1 0 359.495 2.158 20 30 FEEDRO COC[C@@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCC2)[C@@H]1CCCO1 ZINC000298448445 553425739 /nfs/dbraw/zinc/42/57/39/553425739.db2.gz HHQNRSDKBIIPQR-CABCVRRESA-N 1 0 363.483 2.221 20 30 FEEDRO Cc1ccc(CN(CC[NH+](C)C)S(=O)(=O)Cc2ccc(C#N)cc2)o1 ZINC000298847516 553480332 /nfs/dbraw/zinc/48/03/32/553480332.db2.gz KRMQSRILMLIJJC-UHFFFAOYSA-N 1 0 361.467 2.353 20 30 FEEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000298929314 553490929 /nfs/dbraw/zinc/49/09/29/553490929.db2.gz HKGKUDWKBFXJGN-AWEZNQCLSA-N 1 0 358.486 2.447 20 30 FEEDRO C[C@H](NC(=O)C1CCCC1)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000299023341 553504908 /nfs/dbraw/zinc/50/49/08/553504908.db2.gz NPNVISIKSMVROS-INIZCTEOSA-N 1 0 370.497 2.143 20 30 FEEDRO C[C@@H]1CN(C[C@H]2CCC[N@@H+]2CCC(=O)Nc2ccc(C#N)cc2)C[C@H](C)O1 ZINC000299191393 553527531 /nfs/dbraw/zinc/52/75/31/553527531.db2.gz HRFDNFQYJRGVGY-FUHIMQAGSA-N 1 0 370.497 2.460 20 30 FEEDRO C#CCN(Cc1ccc(F)cc1)C(=O)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000299347897 553551427 /nfs/dbraw/zinc/55/14/27/553551427.db2.gz GWYJREFZJUAUFI-FQEVSTJZSA-N 1 0 374.504 2.243 20 30 FEEDRO CC(C)CNC(=O)[C@H](C)[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000299587647 553585372 /nfs/dbraw/zinc/58/53/72/553585372.db2.gz CUQCZQAMPKJGOI-HNNXBMFYSA-N 1 0 356.470 2.369 20 30 FEEDRO C=CCNS(=O)(=O)c1cccc(C(=O)NCCCC[NH+](CC)CC)c1 ZINC000299701526 553603385 /nfs/dbraw/zinc/60/33/85/553603385.db2.gz XHRDQPBRZBHLBT-UHFFFAOYSA-N 1 0 367.515 2.003 20 30 FEEDRO CCCC[N@H+](C)CCNC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000504428408 561658076 /nfs/dbraw/zinc/65/80/76/561658076.db2.gz YKDKHEWHKKTQQK-SFHVURJKSA-N 1 0 371.485 2.085 20 30 FEEDRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1c1cc(C#N)c2cc([N+](=O)[O-])ccc2n1 ZINC000302708892 553727579 /nfs/dbraw/zinc/72/75/79/553727579.db2.gz YXXNJRLWSLJZAR-CYBMUJFWSA-N 1 0 369.425 2.296 20 30 FEEDRO CCc1cc(N2CCC[C@H](NC(=O)NC[C@H]3CCC[N@@H+](CC)C3)C2)ncn1 ZINC000328713231 553811062 /nfs/dbraw/zinc/81/10/62/553811062.db2.gz NTLNCZXLNJHMDQ-AEFFLSMTSA-N 1 0 374.533 2.243 20 30 FEEDRO CN(C(=O)NC[C@@H]1CCC[N@@H+]1CC1CCCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000328891336 553839631 /nfs/dbraw/zinc/83/96/31/553839631.db2.gz SHSWKVZCYRFCAA-IRXDYDNUSA-N 1 0 371.547 2.064 20 30 FEEDRO Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)N1CC[C@@H]2OCCN(C)[C@H]2C1 ZINC000328898633 553840901 /nfs/dbraw/zinc/84/09/01/553840901.db2.gz WTGZFSSVVYXQBD-JQFCIGGWSA-N 1 0 363.506 2.326 20 30 FEEDRO Cc1cnc([C@H](NC(=O)N2CC[C@@H]3OCCN(C)[C@H]3C2)C2CC2)s1 ZINC000328989032 553859574 /nfs/dbraw/zinc/85/95/74/553859574.db2.gz FCJLCFDYYJNDIX-SOUVJXGZSA-N 1 0 350.488 2.222 20 30 FEEDRO C[C@H](CNC(=O)N1CCC[C@@H]1[C@@H]1COCC[C@]1(C)O)[N@@H+]1CCC[C@@H](C)C1 ZINC000329036995 553869026 /nfs/dbraw/zinc/86/90/26/553869026.db2.gz NDWPWGYFDFAHMT-NUABRCLCSA-N 1 0 367.534 2.273 20 30 FEEDRO C[C@H]([NH2+]C1(CNC(=O)[C@H]2COCCN2C)CCOCC1)c1ccccc1 ZINC000329049752 553871591 /nfs/dbraw/zinc/87/15/91/553871591.db2.gz WCYKENVUUKEDBD-FUHWJXTLSA-N 1 0 361.486 2.174 20 30 FEEDRO CO[C@@H]1CCC[C@@H]1[C@@H]1COCCN1C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1 ZINC000329076743 553875924 /nfs/dbraw/zinc/87/59/24/553875924.db2.gz PVQBPVGNCPCSOI-XOYOTBSWSA-N 1 0 351.491 2.067 20 30 FEEDRO CO[C@H]1C[C@@H](C(N)=O)N(C(=O)NC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000329089825 553878486 /nfs/dbraw/zinc/87/84/86/553878486.db2.gz WEMNRGHFHXPECI-HOTGVXAUSA-N 1 0 352.479 2.322 20 30 FEEDRO CN1CCc2ccc(NC(=O)N3CCCC34CC[NH+](C)CC4)cc2C1=O ZINC000329090697 553878672 /nfs/dbraw/zinc/87/86/72/553878672.db2.gz WPESBZQWKSJILX-UHFFFAOYSA-N 1 0 356.470 2.420 20 30 FEEDRO CNC(=O)Cc1noc(C[N@@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@H]32)n1 ZINC000329101411 553880644 /nfs/dbraw/zinc/88/06/44/553880644.db2.gz ZRNXEVAETATNHQ-OWCLPIDISA-N 1 0 356.426 2.203 20 30 FEEDRO C[NH+](C)[C@H](CNC(=O)N[C@@H]1CCO[C@@]2(CCOC2)C1)c1ccsc1 ZINC000329119089 553883668 /nfs/dbraw/zinc/88/36/68/553883668.db2.gz OXAHQEWOSNBXNJ-INMHGKMJSA-N 1 0 353.488 2.193 20 30 FEEDRO O=C(N[C@@H]1CCO[C@]2(CCOC2)C1)N1CCC([NH+]2CCCCC2)CC1 ZINC000329128087 553884965 /nfs/dbraw/zinc/88/49/65/553884965.db2.gz VEZZPSGFDWNENK-VQIMIIECSA-N 1 0 351.491 2.189 20 30 FEEDRO C[NH+](C)[C@H](CNC(=O)N[C@@H]1CCO[C@]2(CCOC2)C1)Cc1ccccc1 ZINC000329126331 553885382 /nfs/dbraw/zinc/88/53/82/553885382.db2.gz UFNAGAUQEFIGPQ-WSTZPKSXSA-N 1 0 361.486 2.001 20 30 FEEDRO Cc1nn(C)c(C)c1NC(=O)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000329138942 553887395 /nfs/dbraw/zinc/88/73/95/553887395.db2.gz IORDYOMCYUGNJE-GJZGRUSLSA-N 1 0 362.522 2.073 20 30 FEEDRO CN1CC[C@H]([NH+]2CCC(NC(=O)c3ncccc3C(F)(F)F)CC2)C1=O ZINC000329153875 553890252 /nfs/dbraw/zinc/89/02/52/553890252.db2.gz BTKNXENBDRGNTJ-ZDUSSCGKSA-N 1 0 370.375 2.100 20 30 FEEDRO CC(C)(CNC(=O)N1CCC[C@@H]1[C@@H]1COCC[C@]1(C)O)C[NH+]1CCCC1 ZINC000329160844 553892110 /nfs/dbraw/zinc/89/21/10/553892110.db2.gz FAJXMVPCZCHTAA-QKLQHJQFSA-N 1 0 367.534 2.274 20 30 FEEDRO CN1CC[C@H]([NH+]2CCC(NC(=O)c3cccc4cccnc43)CC2)C1=O ZINC000329196745 553900617 /nfs/dbraw/zinc/90/06/17/553900617.db2.gz UYJBYIAYJFTWLA-KRWDZBQOSA-N 1 0 352.438 2.235 20 30 FEEDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)N[C@@H]1CC(=O)N(C2CCCCC2)C1 ZINC000329204456 553901585 /nfs/dbraw/zinc/90/15/85/553901585.db2.gz YWFQSSUIXITEMU-JKSUJKDBSA-N 1 0 350.507 2.108 20 30 FEEDRO CC(=O)N1CCCC[C@@H]1C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000329208884 553902546 /nfs/dbraw/zinc/90/25/46/553902546.db2.gz YVDADGIAKXHJFI-KZNAEPCWSA-N 1 0 351.491 2.112 20 30 FEEDRO C[NH+](C)[C@H](CNC(=O)N1CCC[C@@H]1[C@@H]1COCC[C@@H]1O)c1ccsc1 ZINC000329220648 553905271 /nfs/dbraw/zinc/90/52/71/553905271.db2.gz BMWAGRFFWSMIAE-HZMVEIRTSA-N 1 0 367.515 2.127 20 30 FEEDRO C[NH+](C)[C@]1(CNC(=O)N[C@@H]2CCC(=O)N[C@H]2C(C)(C)C)CCSC1 ZINC000329233324 553907490 /nfs/dbraw/zinc/90/74/90/553907490.db2.gz LWJMBCBBXSSHNP-MRRJBJDNSA-N 1 0 356.536 2.461 20 30 FEEDRO Cc1cc(OCC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)c(C)c(C)c1C#N ZINC000506421684 561698402 /nfs/dbraw/zinc/69/84/02/561698402.db2.gz LDEGFDZUNNCPAV-SFHVURJKSA-N 1 0 373.497 2.335 20 30 FEEDRO Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N[C@H](C)C2=CC[N@H+](C)CC2)cc1 ZINC000329338551 553928268 /nfs/dbraw/zinc/92/82/68/553928268.db2.gz NDWOFMLQLPAQFG-CABCVRRESA-N 1 0 365.499 2.269 20 30 FEEDRO O=C(NCc1ccc2c(c1)OCO2)N1CCCC[C@H]1CN1CCOCC1 ZINC000329356389 553930711 /nfs/dbraw/zinc/93/07/11/553930711.db2.gz HBHWKKDFFGLEDE-INIZCTEOSA-N 1 0 361.442 2.016 20 30 FEEDRO C[C@@H]1CCC[C@](CNC(=O)N(C)Cc2cnc(N(C)C)nc2)([NH+](C)C)C1 ZINC000329367221 553933323 /nfs/dbraw/zinc/93/33/23/553933323.db2.gz HGECWVDZLYDANX-BEFAXECRSA-N 1 0 362.522 2.399 20 30 FEEDRO COc1ccc2c(c1)OC[C@H](NC(=O)N1CC[C@H]([NH+]3CCCC3)[C@@H]1C)C2 ZINC000329399952 553938910 /nfs/dbraw/zinc/93/89/10/553938910.db2.gz XPSMVQBBFTWDPI-LESCRADOSA-N 1 0 359.470 2.471 20 30 FEEDRO O=C(NCC1([NH+]2CCSCC2)CCCCC1)c1cnc2n[nH]nc2c1 ZINC000329402146 553939860 /nfs/dbraw/zinc/93/98/60/553939860.db2.gz BQZWQQFCSHELRP-UHFFFAOYSA-N 1 0 360.487 2.409 20 30 FEEDRO CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)c2cnc3n[nH]nc3c2)CC1 ZINC000329453423 553949879 /nfs/dbraw/zinc/94/98/79/553949879.db2.gz PHOHUCBSYWSJEN-UHFFFAOYSA-N 1 0 373.461 2.125 20 30 FEEDRO C[C@]1(NC(=O)NCC2([NH+]3CCOCC3)CCCCC2)CCO[C@H]1C1CC1 ZINC000329565589 553968230 /nfs/dbraw/zinc/96/82/30/553968230.db2.gz OJHFGRYBJOZJCJ-HKUYNNGSSA-N 1 0 365.518 2.483 20 30 FEEDRO COCc1cccc2sc(=NC(=O)NC[C@H]3CN(C)CCO3)[nH]c21 ZINC000329568324 553969023 /nfs/dbraw/zinc/96/90/23/553969023.db2.gz HZUXEIVIDBVHIB-LBPRGKRZSA-N 1 0 350.444 2.099 20 30 FEEDRO C[C@@H]1CN(C[C@H]2CCCN2C(=O)Nc2cn(C)nc2C2CC2)C[C@@H](C)O1 ZINC000329598260 553974622 /nfs/dbraw/zinc/97/46/22/553974622.db2.gz DCDNWCSQKDEZSJ-IIAWOOMASA-N 1 0 361.490 2.417 20 30 FEEDRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)NC[C@H]2CCCCS2(=O)=O)C1 ZINC000329628218 553978949 /nfs/dbraw/zinc/97/89/49/553978949.db2.gz HEBLKECTXSVDRN-OWCLPIDISA-N 1 0 373.563 2.214 20 30 FEEDRO C[C@H]1C[C@H](NC(=O)N2CCC[C@H]([NH+](C)C)C2)c2ccsc2S1(=O)=O ZINC000329625079 553978987 /nfs/dbraw/zinc/97/89/87/553978987.db2.gz OJRKRNCZNSGZKC-OBJOEFQTSA-N 1 0 371.528 2.295 20 30 FEEDRO CC[C@@H](C)[NH2+][C@@H](CNC(=O)C(=O)Nc1ccc(C#N)cc1F)c1ccco1 ZINC000506953252 561712527 /nfs/dbraw/zinc/71/25/27/561712527.db2.gz JDFJIOWNJQKFJA-WBMJQRKESA-N 1 0 372.400 2.474 20 30 FEEDRO Cc1ccc(N2CCC[C@H](NC(=O)NC[C@@H](C)[NH+]3CCC(C)CC3)C2)nn1 ZINC000329658860 553984192 /nfs/dbraw/zinc/98/41/92/553984192.db2.gz HKCJLBDUFDEMLG-MSOLQXFVSA-N 1 0 374.533 2.378 20 30 FEEDRO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)Nc1cccc(OCC(=O)N2CCCC2)c1 ZINC000329669035 553986154 /nfs/dbraw/zinc/98/61/54/553986154.db2.gz MCUOKZPMHILBIU-HOTGVXAUSA-N 1 0 374.485 2.258 20 30 FEEDRO CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3CC(=O)N[C@@H](C)C3)cn2)CC1 ZINC000329674755 553986473 /nfs/dbraw/zinc/98/64/73/553986473.db2.gz ORNKMNGNXZLUAE-HOCLYGCPSA-N 1 0 359.474 2.435 20 30 FEEDRO Cc1ccc(N2CCC[C@H](NC(=O)N[C@H](C)C[NH+]3CCCCC3)C2)nn1 ZINC000329697770 553991224 /nfs/dbraw/zinc/99/12/24/553991224.db2.gz YOEZWMKLCCWDPX-SJORKVTESA-N 1 0 360.506 2.132 20 30 FEEDRO O=C(CN1CCC[C@H](C(=O)N2CCCC2)C1)Nc1ccc2c(c1)OCO2 ZINC000329733918 553997396 /nfs/dbraw/zinc/99/73/96/553997396.db2.gz RBJIFIXQSVCKMX-AWEZNQCLSA-N 1 0 359.426 2.338 20 30 FEEDRO CCO[C@@H]1C[C@H](NC(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)[C@]12CCCO2 ZINC000329790442 554007031 /nfs/dbraw/zinc/00/70/31/554007031.db2.gz TVYNXQIDVYQTRZ-PNYFIKQUSA-N 1 0 365.518 2.291 20 30 FEEDRO CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+]2CCCC[C@@H]2[C@@H]2CCCC[C@@H]2O)C1 ZINC000329797675 554007989 /nfs/dbraw/zinc/00/79/89/554007989.db2.gz HKIJPKKSIYSTHX-HCXYKTFWSA-N 1 0 365.518 2.359 20 30 FEEDRO O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)N1CCCC2(CCOCC2)C1 ZINC000329801043 554008388 /nfs/dbraw/zinc/00/83/88/554008388.db2.gz JGIPUCLFKQJXLB-QGZVFWFLSA-N 1 0 365.518 2.294 20 30 FEEDRO CN1CCC(CNC(=O)NC[C@@H]2CCCCO2)([NH+]2CCCCC2)CC1 ZINC000329810184 554009712 /nfs/dbraw/zinc/00/97/12/554009712.db2.gz MLJQJJZNFZASER-KRWDZBQOSA-N 1 0 352.523 2.009 20 30 FEEDRO CC1(C)NC(=O)N(c2cccc(NC(=O)N3CC[N@@H+]4CCC[C@H]4C3)c2)C1=O ZINC000329822849 554013025 /nfs/dbraw/zinc/01/30/25/554013025.db2.gz QDONAPRVQZPKOH-HNNXBMFYSA-N 1 0 371.441 2.051 20 30 FEEDRO Cn1ccnc(N2CCC[C@H](NC(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)C2)c1=O ZINC000329834091 554015161 /nfs/dbraw/zinc/01/51/61/554015161.db2.gz LMYWGOOUKGJUTF-RDJZCZTQSA-N 1 0 373.501 2.113 20 30 FEEDRO Cc1nn(C)c(C)c1OCC(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000329858165 554020318 /nfs/dbraw/zinc/02/03/18/554020318.db2.gz ZVVHTWIIFRMKKD-UHFFFAOYSA-N 1 0 350.463 2.017 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)c2ccc(OC)c(-c3ccnn3C)c2)CC1 ZINC000507282230 561723487 /nfs/dbraw/zinc/72/34/87/561723487.db2.gz ISFMVUDGANCHEH-UHFFFAOYSA-N 1 0 354.454 2.476 20 30 FEEDRO Cc1c([C@@H]2[C@H](C(=O)NC3C[C@H]4CCC[C@@H](C3)[N@H+]4C)CC(=O)N2C)cnn1C ZINC000329900314 554027721 /nfs/dbraw/zinc/02/77/21/554027721.db2.gz NPPBJFUCCDUDFS-OKMQIQTRSA-N 1 0 373.501 2.220 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCN(CC)[C@@H](c3ncc[nH]3)C2)CC1 ZINC000329952413 554037873 /nfs/dbraw/zinc/03/78/73/554037873.db2.gz ITWRUXQEHJUJJV-QGZVFWFLSA-N 1 0 360.506 2.043 20 30 FEEDRO CO[C@@H]1CC[C@@H](NC(=O)N(C)C[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)C1 ZINC000329991250 554045720 /nfs/dbraw/zinc/04/57/20/554045720.db2.gz WUKGOLACPFZRCQ-DZOHQFGASA-N 1 0 363.506 2.216 20 30 FEEDRO CCN1CCN(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C[C@H]1c1ncc[nH]1 ZINC000329999352 554046695 /nfs/dbraw/zinc/04/66/95/554046695.db2.gz UPLHUPBMVLJKNQ-HNNXBMFYSA-N 1 0 362.522 2.312 20 30 FEEDRO O=C(NC1CCC(C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)CC1)C1CC1 ZINC000330013182 554049117 /nfs/dbraw/zinc/04/91/17/554049117.db2.gz LTGOLGPCHOXEHB-ZLPCBKJTSA-N 1 0 363.502 2.092 20 30 FEEDRO O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1cn([C@@H]2CCOC2)nn1 ZINC000330073090 554059475 /nfs/dbraw/zinc/05/94/75/554059475.db2.gz ZOFFZAZIZZCOCL-IAGOWNOFSA-N 1 0 355.442 2.209 20 30 FEEDRO C[C@@H](C(=O)N(C)CC(=O)NC1CC[NH+](C2CCCC2)CC1)n1cccn1 ZINC000330159024 554075530 /nfs/dbraw/zinc/07/55/30/554075530.db2.gz QNUXVEVXHLHHAH-HNNXBMFYSA-N 1 0 361.490 2.266 20 30 FEEDRO C[N@@H+]1CC[C@]2(CCN(C(=O)N[C@@H]3CCc4nc(C(C)(C)C)cn4C3)C2)C1 ZINC000330177803 554079126 /nfs/dbraw/zinc/07/91/26/554079126.db2.gz DEXLJGDWIVLEBX-QRWLVFNGSA-N 1 0 359.518 2.437 20 30 FEEDRO Cc1ccc(N2CCC[C@H](NC(=O)N[C@@H]3CCC[C@H]([NH+](C)C)C3)C2)nn1 ZINC000330190257 554081065 /nfs/dbraw/zinc/08/10/65/554081065.db2.gz MKHLCGVLJFOXJR-IKGGRYGDSA-N 1 0 360.506 2.130 20 30 FEEDRO Cc1ncc(S(=O)(=O)N2CCC[C@H]([NH+]3[C@H](C)CC[C@H]3C)C2)cc1C#N 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ZINC000330511049 554131749 /nfs/dbraw/zinc/13/17/49/554131749.db2.gz BFKOATGLGZGHEJ-UHFFFAOYSA-N 1 0 361.412 2.209 20 30 FEEDRO Cc1nc(C(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)c(C)o1 ZINC000330517725 554132811 /nfs/dbraw/zinc/13/28/11/554132811.db2.gz XNKAFONJLTZLII-UHFFFAOYSA-N 1 0 350.463 2.223 20 30 FEEDRO COC(=O)c1cc(NC(=O)N2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)cc(C)c1C ZINC000330714423 554162096 /nfs/dbraw/zinc/16/20/96/554162096.db2.gz XJRFMFSVDPDRFO-ZIAGYGMSSA-N 1 0 363.458 2.022 20 30 FEEDRO CNC(=O)c1cccc(NC(=O)N2C[C@H](SC)[C@@H]([NH+](C)C)C2)c1C ZINC000330864766 554180391 /nfs/dbraw/zinc/18/03/91/554180391.db2.gz NMTHEBIELGTYAM-GJZGRUSLSA-N 1 0 350.488 2.452 20 30 FEEDRO C[C@H](O)C[N@@H+]1CCN(C(=O)NCCc2ccc(F)cc2Cl)C[C@H]1C ZINC000330867908 554180751 /nfs/dbraw/zinc/18/07/51/554180751.db2.gz WAUMLBOCOVCIDS-OLZOCXBDSA-N 1 0 357.857 2.323 20 30 FEEDRO CS[C@@H]1CN(C(=O)C2(NC(=O)NC(C)C)CCCCC2)C[C@@H]1[NH+](C)C ZINC000330973080 554195806 /nfs/dbraw/zinc/19/58/06/554195806.db2.gz DDQNCTJHPDXWQO-LSDHHAIUSA-N 1 0 370.563 2.105 20 30 FEEDRO COC(=O)c1cc(NC(=O)N2CC[NH+](CC(C)(C)O)CC2)c(C)cc1C ZINC000330998819 554199591 /nfs/dbraw/zinc/19/95/91/554199591.db2.gz VUVBFFUDESACAS-UHFFFAOYSA-N 1 0 363.458 2.024 20 30 FEEDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1ccc(S(N)(=O)=O)c(F)c1 ZINC000331009582 554200413 /nfs/dbraw/zinc/20/04/13/554200413.db2.gz DBMBPFGHQBGBBO-XQQFMLRXSA-N 1 0 371.478 2.144 20 30 FEEDRO CC(C)NC(=O)NC1(C(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)CCCCC1 ZINC000331022929 554202559 /nfs/dbraw/zinc/20/25/59/554202559.db2.gz TXLHBQDEMFCDAK-HNNXBMFYSA-N 1 0 350.507 2.368 20 30 FEEDRO CNC(=O)NC(=O)CC[N@@H+]1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)OC(C)(C)C ZINC000331099639 554212695 /nfs/dbraw/zinc/21/26/95/554212695.db2.gz ARHQEMZDUVRJIA-MJBXVCDLSA-N 1 0 353.463 2.011 20 30 FEEDRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N2CC[C@H](CS(C)(=O)=O)C2)C1 ZINC000331150955 554222225 /nfs/dbraw/zinc/22/22/25/554222225.db2.gz ZXBGACVLRCZMLD-XHSDSOJGSA-N 1 0 373.563 2.023 20 30 FEEDRO C=CCn1c([C@@H](C)OCCOC)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC000508707513 561770359 /nfs/dbraw/zinc/77/03/59/561770359.db2.gz WAJZZKNNQZQNTO-OAHLLOKOSA-N 1 0 351.495 2.155 20 30 FEEDRO CC[C@H]1CN(C(=O)Nc2ccc(C(N)=O)cc2F)CC[N@@H+]1C[C@@H](C)O ZINC000331192744 554229038 /nfs/dbraw/zinc/22/90/38/554229038.db2.gz MCBDFSFXBCFDEN-YPMHNXCESA-N 1 0 352.410 2.032 20 30 FEEDRO CC[C@H]1CN(C(=O)Nc2cc(C)c(N(C)C)cc2C#N)CC[N@@H+]1C[C@@H](C)O ZINC000331237334 554234892 /nfs/dbraw/zinc/23/48/92/554234892.db2.gz HGAHYLIFGZDOMQ-WBVHZDCISA-N 1 0 373.501 2.242 20 30 FEEDRO CC(C)c1nn(C)cc1NC(=O)N(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000331254656 554237093 /nfs/dbraw/zinc/23/70/93/554237093.db2.gz XMXBFBHOZFNGEX-CQSZACIVSA-N 1 0 351.495 2.114 20 30 FEEDRO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)Nc1ccc(S(C)(=O)=O)nc1 ZINC000331260861 554237596 /nfs/dbraw/zinc/23/75/96/554237596.db2.gz KSDHBIZENRNQPI-HNNXBMFYSA-N 1 0 368.503 2.322 20 30 FEEDRO C=CCn1c(-c2cc(C)oc2C)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000508810918 561773614 /nfs/dbraw/zinc/77/36/14/561773614.db2.gz QWOCISCFRIUCMX-QGZVFWFLSA-N 1 0 371.485 2.499 20 30 FEEDRO CCCCn1ncc(NC(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)c1C ZINC000331309550 554245215 /nfs/dbraw/zinc/24/52/15/554245215.db2.gz XUQSFYLHOHHPEQ-AWEZNQCLSA-N 1 0 351.495 2.314 20 30 FEEDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1CCC(=O)Nc1cccc(C#N)c1 ZINC000331384302 554255558 /nfs/dbraw/zinc/25/55/58/554255558.db2.gz AQNBUZPLZPOVND-INIZCTEOSA-N 1 0 356.470 2.072 20 30 FEEDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000331471800 554270385 /nfs/dbraw/zinc/27/03/85/554270385.db2.gz IGBCGDJQMLKWSZ-BONVTDFDSA-N 1 0 373.400 2.338 20 30 FEEDRO CC(C)(C)c1cc(C#N)c(NC(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)s1 ZINC000331849726 554329909 /nfs/dbraw/zinc/32/99/09/554329909.db2.gz VBEHWZRGQWEYSQ-FPMFFAJLSA-N 1 0 374.510 2.442 20 30 FEEDRO Cc1nn(C)c(C)c1CN1CC[NH+](CCCC2(C#N)CCOCC2)CC1 ZINC000331849118 554330283 /nfs/dbraw/zinc/33/02/83/554330283.db2.gz GYKKYVVNSWOLLM-UHFFFAOYSA-N 1 0 359.518 2.255 20 30 FEEDRO N#Cc1csc(C[NH2+]CCNS(=O)(=O)c2ccc(F)cc2Cl)c1 ZINC000509400588 561797840 /nfs/dbraw/zinc/79/78/40/561797840.db2.gz FPEBTZXQUONPAX-UHFFFAOYSA-N 1 0 373.862 2.480 20 30 FEEDRO CC(C)(C)c1csc(NC(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)c1C#N ZINC000332107022 554381433 /nfs/dbraw/zinc/38/14/33/554381433.db2.gz SAVZPFXPPZRCCS-FZMZJTMJSA-N 1 0 360.483 2.066 20 30 FEEDRO N#Cc1cccc(-c2nnc(CN3CC[NH+](CC4CCOCC4)CC3)o2)c1 ZINC000333058136 554565702 /nfs/dbraw/zinc/56/57/02/554565702.db2.gz IEQKGRUOOSTOID-UHFFFAOYSA-N 1 0 367.453 2.152 20 30 FEEDRO N#Cc1ccc(CNC(=O)N2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)cc1F ZINC000333746319 554638707 /nfs/dbraw/zinc/63/87/07/554638707.db2.gz JLMYJOCIWURAAY-MSOLQXFVSA-N 1 0 360.433 2.125 20 30 FEEDRO Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CCCC4(CCCC4)C3)CC2)o1 ZINC000333749278 554638967 /nfs/dbraw/zinc/63/89/67/554638967.db2.gz SPKPPMHHQMCJSI-UHFFFAOYSA-N 1 0 371.485 2.160 20 30 FEEDRO N#Cc1ccc(OC2CCC(NC(=O)N3C[C@@H]4CC[C@@H]([NH3+])[C@H]4C3)CC2)nc1 ZINC000333856005 554649619 /nfs/dbraw/zinc/64/96/19/554649619.db2.gz YHXRQOLPRQDEMV-VLMYXLFRSA-N 1 0 369.469 2.022 20 30 FEEDRO N#Cc1ccc(OC2CCN(C(=O)N[C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)CC2)cc1 ZINC000333868584 554650945 /nfs/dbraw/zinc/65/09/45/554650945.db2.gz BGOHURVVEGJIJP-FGTMMUONSA-N 1 0 368.481 2.499 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)NCC(C)(C)N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000334005191 554667521 /nfs/dbraw/zinc/66/75/21/554667521.db2.gz NHEJUQJMLKVATD-IAGOWNOFSA-N 1 0 366.550 2.214 20 30 FEEDRO N#CC1(F)CC[NH+](CCC(=O)Nc2ccc(N3CCCC3=O)cc2)CC1 ZINC000510947641 561851821 /nfs/dbraw/zinc/85/18/21/561851821.db2.gz NIOWEKGXLNTUHE-UHFFFAOYSA-N 1 0 358.417 2.470 20 30 FEEDRO C=CCOC[C@H]1NC(=O)N([C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)C1=O ZINC000348586303 554689633 /nfs/dbraw/zinc/68/96/33/554689633.db2.gz KYVVZHSUYTTYNT-JFRXWTBNSA-N 1 0 371.481 2.266 20 30 FEEDRO Cc1ccc([C@@H](CN2CCOCC2)[NH2+]CC(=O)N[C@@](C)(C#N)C(C)C)cc1 ZINC000511126152 561858424 /nfs/dbraw/zinc/85/84/24/561858424.db2.gz XOPUGEVOFZXICV-CTNGQTDRSA-N 1 0 372.513 2.012 20 30 FEEDRO Cc1cc(-c2nc(-c3ccnc(OCC[NH+](C)C)c3)no2)ncc1C#N ZINC000351233858 554846166 /nfs/dbraw/zinc/84/61/66/554846166.db2.gz PQJOYIRGQANRHP-UHFFFAOYSA-N 1 0 350.382 2.314 20 30 FEEDRO Cn1cc(C[N@@H+]2CC[C@@H](NC(=O)C3CCC3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000360675850 554884598 /nfs/dbraw/zinc/88/45/98/554884598.db2.gz YHERPJNOGFRHMV-LJQANCHMSA-N 1 0 363.465 2.449 20 30 FEEDRO Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000613157193 554894092 /nfs/dbraw/zinc/89/40/92/554894092.db2.gz XCBNUSWZOFIWHQ-HNNXBMFYSA-N 1 0 367.457 2.443 20 30 FEEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(-n2cc(C)cn2)c(F)c1 ZINC000361439234 554921319 /nfs/dbraw/zinc/92/13/19/554921319.db2.gz CBWOBFFEBUIZRD-KBPBESRZSA-N 1 0 373.432 2.371 20 30 FEEDRO C[C@@H](C(=O)N(C)CCC#N)N1CC[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000361731786 554931983 /nfs/dbraw/zinc/93/19/83/554931983.db2.gz BTOFMYAVYDMCRQ-XHSDSOJGSA-N 1 0 364.490 2.221 20 30 FEEDRO N#Cc1c(CN2CCC(C(=O)Nc3cnccn3)CC2)cn2ccccc12 ZINC000361784384 554934716 /nfs/dbraw/zinc/93/47/16/554934716.db2.gz PJONIMACIVXVSI-UHFFFAOYSA-N 1 0 360.421 2.452 20 30 FEEDRO CCC[NH+]1CCN(C2CCN(c3nc4c(cc3C#N)CCC4)CC2)CC1 ZINC000361813718 554936265 /nfs/dbraw/zinc/93/62/65/554936265.db2.gz KPVCBOYCGJXANL-UHFFFAOYSA-N 1 0 353.514 2.438 20 30 FEEDRO C[N@H+]1CC=C(CNC(=O)N[C@H]2CCCN(c3ccccc3C#N)C2)CC1 ZINC000361988564 554942374 /nfs/dbraw/zinc/94/23/74/554942374.db2.gz WRNANXPDTMGSLB-SFHVURJKSA-N 1 0 353.470 2.088 20 30 FEEDRO C[C@@H]([NH2+]C[C@@]1(N2CCOCC2)CCCOC1)c1ccc(OCC#N)cc1 ZINC000362043448 554945714 /nfs/dbraw/zinc/94/57/14/554945714.db2.gz XDWPWAFXWUULMH-XLIONFOSSA-N 1 0 359.470 2.121 20 30 FEEDRO C[C@H]1CN(c2nc3c(cc2C#N)CCCC3)CCN1C1CC[NH+](C)CC1 ZINC000362323247 554963292 /nfs/dbraw/zinc/96/32/92/554963292.db2.gz AATZKIUAVBMNIF-INIZCTEOSA-N 1 0 353.514 2.437 20 30 FEEDRO COCc1nccc([C@@H]2CCCN(CC(=O)Nc3ccc(C#N)cc3)C2)n1 ZINC000363020004 555011885 /nfs/dbraw/zinc/01/18/85/555011885.db2.gz BWBJQUVSPJJRJF-MRXNPFEDSA-N 1 0 365.437 2.313 20 30 FEEDRO Cc1nc(C(=O)N(C)C2CC[NH+](CCc3ccncc3)CC2)ccc1C#N ZINC000363035405 555015296 /nfs/dbraw/zinc/01/52/96/555015296.db2.gz MFAFRCNDOQXGBK-UHFFFAOYSA-N 1 0 363.465 2.436 20 30 FEEDRO CC[NH+]1CCC(N(C(=O)COc2ccc(C#N)cc2OC)C2CC2)CC1 ZINC000363115645 555033522 /nfs/dbraw/zinc/03/35/22/555033522.db2.gz QTPCSEKCUHXFAI-UHFFFAOYSA-N 1 0 357.454 2.421 20 30 FEEDRO C=CCN(CC(=O)NC1CCOCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000363184768 555048328 /nfs/dbraw/zinc/04/83/28/555048328.db2.gz GRPAHOGXPCVEQH-FQEVSTJZSA-N 1 0 357.498 2.044 20 30 FEEDRO N#Cc1c(Cl)cccc1S(=O)(=O)N1C[C@H]2[C@H](C1)C[N@@H+]1CCCC[C@@H]21 ZINC000363260109 555066427 /nfs/dbraw/zinc/06/64/27/555066427.db2.gz STZLHQJOQBKDDM-NOLJZWGESA-N 1 0 365.886 2.316 20 30 FEEDRO C[C@H]1CN(C(=O)C2CC[NH+](CCOc3ccccc3C#N)CC2)C[C@H](C)O1 ZINC000363291320 555072135 /nfs/dbraw/zinc/07/21/35/555072135.db2.gz AYGLHFFVCFFJJS-IRXDYDNUSA-N 1 0 371.481 2.285 20 30 FEEDRO CC(C)CC[NH+]1CCC(CNC(=O)N2CCN(C3CC3)[C@H](C#N)C2)CC1 ZINC000363321409 555077678 /nfs/dbraw/zinc/07/76/78/555077678.db2.gz QPVRGTJYGHHDIB-LJQANCHMSA-N 1 0 361.534 2.126 20 30 FEEDRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)CCc2ccc(C#N)cc2)CC1 ZINC000363368979 555087648 /nfs/dbraw/zinc/08/76/48/555087648.db2.gz DBVMPCXKKFMQBX-HXUWFJFHSA-N 1 0 354.498 2.119 20 30 FEEDRO CC(=O)N1CCC[C@H]1[C@@H]1CCC[N@@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC000363634631 555151524 /nfs/dbraw/zinc/15/15/24/555151524.db2.gz VVLQNSIEZUEERR-OALUTQOASA-N 1 0 354.454 2.362 20 30 FEEDRO C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1NC(=O)Cc1ccc(OCC#N)cc1 ZINC000363663955 555159066 /nfs/dbraw/zinc/15/90/66/555159066.db2.gz VYGHXMJIHWCEGB-AHRSYUTCSA-N 1 0 371.481 2.137 20 30 FEEDRO C=C(C)CN(CC(=O)NC1CC[NH+](C(C)C)CC1)Cc1ccc(CO)o1 ZINC000512230381 561896644 /nfs/dbraw/zinc/89/66/44/561896644.db2.gz VTTGMTWDEMZNSL-UHFFFAOYSA-N 1 0 363.502 2.139 20 30 FEEDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)N2CCCN(c3ncccc3C#N)CC2)C1 ZINC000364276773 555283129 /nfs/dbraw/zinc/28/31/29/555283129.db2.gz XRVHYEIXMRXIAA-ROUUACIJSA-N 1 0 370.501 2.048 20 30 FEEDRO CCC(=O)N1CCC[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000364436590 555314019 /nfs/dbraw/zinc/31/40/19/555314019.db2.gz GOIBLEKGSQLNMR-UHFFFAOYSA-N 1 0 362.861 2.485 20 30 FEEDRO C#CCC1(C(=O)NCc2cccnc2N2CC[NH+](C)CC2)CCCCC1 ZINC000364537848 555332087 /nfs/dbraw/zinc/33/20/87/555332087.db2.gz NAMJDIXRDQYRQO-UHFFFAOYSA-N 1 0 354.498 2.423 20 30 FEEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH2+][C@H]1CCO[C@@H]1C1CC1 ZINC000364615725 555353787 /nfs/dbraw/zinc/35/37/87/555353787.db2.gz GOXLVBCBXZHXTB-URLQWDBASA-N 1 0 357.454 2.487 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H]2C[C@H](C(=O)OC)c3ccccc32)CC1 ZINC000364649939 555363135 /nfs/dbraw/zinc/36/31/35/555363135.db2.gz TVWWAIZNZCSAFI-ZWKOTPCHSA-N 1 0 357.454 2.338 20 30 FEEDRO C[N@H+](CCNC(=O)[C@H]1CCC(=O)N1Cc1cccc(C#N)c1)C1CCCC1 ZINC000364722082 555385243 /nfs/dbraw/zinc/38/52/43/555385243.db2.gz JHKHNKWKKLMSQH-LJQANCHMSA-N 1 0 368.481 2.040 20 30 FEEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCC(=O)N(C)C1CC1 ZINC000512742102 561914009 /nfs/dbraw/zinc/91/40/09/561914009.db2.gz GTRBISQURLCPIU-UHFFFAOYSA-N 1 0 363.531 2.205 20 30 FEEDRO C[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2CCC(C#N)CC2)[C@@H]1c1cccs1 ZINC000512764182 561914570 /nfs/dbraw/zinc/91/45/70/561914570.db2.gz BVPDHRTXNSNIGB-NVXWUHKLSA-N 1 0 374.510 2.009 20 30 FEEDRO N#CCCN(C(=O)CCC(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000365155288 555496813 /nfs/dbraw/zinc/49/68/13/555496813.db2.gz YBEIZUWUZVZPDX-IEBWSBKVSA-N 1 0 368.481 2.456 20 30 FEEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000513481606 561940330 /nfs/dbraw/zinc/94/03/30/561940330.db2.gz CBOFPNXNOAUGDR-MRXNPFEDSA-N 1 0 372.513 2.389 20 30 FEEDRO N#Cc1cccc(NC(=O)C(=O)N2CCC[C@H]([NH+]3CCCCCC3)C2)c1 ZINC000365908135 555698513 /nfs/dbraw/zinc/69/85/13/555698513.db2.gz YTMOSKHAJQVSER-SFHVURJKSA-N 1 0 354.454 2.364 20 30 FEEDRO C[NH+](C)C[C@H]1CN(S(=O)(=O)c2ccc(C#N)cc2)c2ccccc2O1 ZINC000366182057 555774673 /nfs/dbraw/zinc/77/46/73/555774673.db2.gz KJJNYPRBNDXHGK-HNNXBMFYSA-N 1 0 357.435 2.076 20 30 FEEDRO C[C@@H](CO)[N@@H+]1CCCN(c2nc3c(c(C#N)c2C#N)CCCCCC3)CC1 ZINC000366508456 555863013 /nfs/dbraw/zinc/86/30/13/555863013.db2.gz RPRCVGHHDUSZKH-INIZCTEOSA-N 1 0 367.497 2.377 20 30 FEEDRO C=CCCOCCNC(=O)N(C)C1CC[NH+](CCc2ccncc2)CC1 ZINC000366924166 555971652 /nfs/dbraw/zinc/97/16/52/555971652.db2.gz RSEUWTBUVAPQNQ-UHFFFAOYSA-N 1 0 360.502 2.323 20 30 FEEDRO N#CCCC[C@@H]([NH3+])C(=O)NCCOc1ncc(C(F)(F)F)cc1Cl ZINC000514598790 561968939 /nfs/dbraw/zinc/96/89/39/561968939.db2.gz ABGXJQMXIQNLRL-LLVKDONJSA-N 1 0 364.755 2.270 20 30 FEEDRO COc1cccc([C@H]2[C@@H]([NH2+]CCC(=O)N(C)CCC#N)CCN2C2CC2)c1 ZINC000367252095 556004029 /nfs/dbraw/zinc/00/40/29/556004029.db2.gz LBAKZAGQHNGXLH-FPOVZHCZSA-N 1 0 370.497 2.325 20 30 FEEDRO CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc(F)c(C#N)c1 ZINC000367597176 556093104 /nfs/dbraw/zinc/09/31/04/556093104.db2.gz MKDDNURQSZTROA-OAQYLSRUSA-N 1 0 367.424 2.406 20 30 FEEDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCN(c4ccc(C#N)cc4F)C3)C[C@@H]21 ZINC000367843984 556152221 /nfs/dbraw/zinc/15/22/21/556152221.db2.gz RLQDHHXZUOPAMX-GJYPPUQNSA-N 1 0 356.445 2.076 20 30 FEEDRO C[C@@H](CO)[N@@H+]1CCCN(Cc2ccc(Br)cc2C#N)CC1 ZINC000367874730 556161836 /nfs/dbraw/zinc/16/18/36/556161836.db2.gz PMHRZDJQMQKCTJ-ZDUSSCGKSA-N 1 0 352.276 2.209 20 30 FEEDRO C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)COc2ccc(C#N)cc2)C(=O)N1c1ccccc1 ZINC000514933604 561987786 /nfs/dbraw/zinc/98/77/86/561987786.db2.gz UXDFFUCAUUBXON-XFQXTVEOSA-N 1 0 365.433 2.082 20 30 FEEDRO CN(CCC#N)c1ccc(C[NH2+][C@@H]2CCN(C(=O)c3ccncc3)C2)cc1 ZINC000368459650 556315757 /nfs/dbraw/zinc/31/57/57/556315757.db2.gz ZKOSBPRXSMJLNC-LJQANCHMSA-N 1 0 363.465 2.436 20 30 FEEDRO C#CC[C@@H](Cc1ccccc1)NC(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000368615647 556363614 /nfs/dbraw/zinc/36/36/14/556363614.db2.gz AVWCYBVIDUAOSN-PMACEKPBSA-N 1 0 368.525 2.089 20 30 FEEDRO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC[C@@H](C(=O)N2CCCCC2)C1 ZINC000368816373 556421512 /nfs/dbraw/zinc/42/15/12/556421512.db2.gz FLOHARYKOFSISL-QZTJIDSGSA-N 1 0 374.529 2.442 20 30 FEEDRO Cc1nc(CO[C@H]2CC[N@H+](C[C@@H](O)COc3ccc(C#N)cc3)C2)cs1 ZINC000368998696 556472426 /nfs/dbraw/zinc/47/24/26/556472426.db2.gz BJSFVBGORLQORR-MJGOQNOKSA-N 1 0 373.478 2.354 20 30 FEEDRO COc1ccc(CNC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1OCCCC#N ZINC000369037125 556484181 /nfs/dbraw/zinc/48/41/81/556484181.db2.gz VEFFQLLLJRLZJY-QZTJIDSGSA-N 1 0 359.470 2.331 20 30 FEEDRO C=CCN1CC[C@H]([NH+]2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)C1=O ZINC000369186346 556529480 /nfs/dbraw/zinc/52/94/80/556529480.db2.gz CGHFAPPBOHPGPY-HNNXBMFYSA-N 1 0 362.861 2.172 20 30 FEEDRO COc1ncc(CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c(C)n1 ZINC000369190567 556530839 /nfs/dbraw/zinc/53/08/39/556530839.db2.gz ZMPITWOJQHNYJE-UHFFFAOYSA-N 1 0 351.454 2.373 20 30 FEEDRO [NH3+]C[C@@H]1CCCN(C(=O)C(=O)Nc2ccccc2C#Cc2ccccc2)C1 ZINC000516018225 562028186 /nfs/dbraw/zinc/02/81/86/562028186.db2.gz CVBJEZVOCHQALM-SFHVURJKSA-N 1 0 361.445 2.222 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N[C@H](c2noc(C3CC3)n2)c2ccccc2)CC1 ZINC000369296222 556567480 /nfs/dbraw/zinc/56/74/80/556567480.db2.gz ALHRFZPEBVRCBB-SFHVURJKSA-N 1 0 364.449 2.498 20 30 FEEDRO CCN(C(=O)[C@@H](C)[NH+]1CCC(n2cnc(C#N)n2)CC1)C1CCCCC1 ZINC000369389769 556587845 /nfs/dbraw/zinc/58/78/45/556587845.db2.gz SIMMGTSURREKGS-OAHLLOKOSA-N 1 0 358.490 2.356 20 30 FEEDRO COC(=O)CCCCC(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000369594083 556641738 /nfs/dbraw/zinc/64/17/38/556641738.db2.gz IQWRORHJVOGSGZ-UHFFFAOYSA-N 1 0 357.454 2.394 20 30 FEEDRO C=CCc1ccc(OC[C@@H](O)C[N@H+](C)Cc2cnn(C)c2C)c(OC)c1 ZINC000516390057 562041598 /nfs/dbraw/zinc/04/15/98/562041598.db2.gz SZXHTMSURGFZPR-SFHVURJKSA-N 1 0 359.470 2.337 20 30 FEEDRO C[C@H](CCNC(=O)N1CCN(C2CC2)[C@@H](C#N)C1)[N@H+](C)Cc1ccccc1 ZINC000369986821 556749652 /nfs/dbraw/zinc/74/96/52/556749652.db2.gz PVLVUTHTPGWPOG-XLIONFOSSA-N 1 0 369.513 2.279 20 30 FEEDRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 ZINC000370000061 556753727 /nfs/dbraw/zinc/75/37/27/556753727.db2.gz SQKSHHPZVCPKDC-OAHLLOKOSA-N 1 0 370.432 2.689 20 30 FEEDRO C#CCNC(=O)C1CCN(Cc2nc(-c3ccc(C)c(F)c3)no2)CC1 ZINC000370793537 556970604 /nfs/dbraw/zinc/97/06/04/556970604.db2.gz OICWUQPHKRLYCN-UHFFFAOYSA-N 1 0 356.401 2.146 20 30 FEEDRO C#CCNC(=O)C1CC[NH+](CC(=O)N2CCc3sccc3[C@H]2CC)CC1 ZINC000370797281 556971886 /nfs/dbraw/zinc/97/18/86/556971886.db2.gz UQLZEYPVVKRBRM-QGZVFWFLSA-N 1 0 373.522 2.045 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N2CCC([C@H]3CCCCCN3C(C)=O)CC2)CC1 ZINC000370821258 556979126 /nfs/dbraw/zinc/97/91/26/556979126.db2.gz NXQXDKWCFRHXOV-OAQYLSRUSA-N 1 0 373.541 2.361 20 30 FEEDRO CN1CCN([C@H](CNC(=O)N[C@@H]2CC[C@H](C#N)C2)c2cccs2)CC1 ZINC000516967475 562067999 /nfs/dbraw/zinc/06/79/99/562067999.db2.gz ZQFSQWVJDOMNIR-ARFHVFGLSA-N 1 0 361.515 2.028 20 30 FEEDRO C[C@@H]1C[C@@H](NC(=O)N(C)CCOCc2ccc(C#N)cc2)C[N@@H+]1C1CC1 ZINC000516991975 562069683 /nfs/dbraw/zinc/06/96/83/562069683.db2.gz DDJOIJHEVVBEOZ-CRAIPNDOSA-N 1 0 356.470 2.341 20 30 FEEDRO N#Cc1ccc(OC[C@H](O)CN2CCC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000371205438 557106923 /nfs/dbraw/zinc/10/69/23/557106923.db2.gz RVNHAJILOCGSDT-VQTJNVASSA-N 1 0 357.498 2.496 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC(C(=O)N(C)C(C)C)CC2)CC1 ZINC000517322423 562085103 /nfs/dbraw/zinc/08/51/03/562085103.db2.gz WIGQARSLBMNFOP-UHFFFAOYSA-N 1 0 364.534 2.315 20 30 FEEDRO C=CCOc1ccc(CN2CCCN(C(=O)[C@@H]3CCCO3)CC2)cc1OC ZINC000371404683 557174865 /nfs/dbraw/zinc/17/48/65/557174865.db2.gz SLAJMCDELYEVMX-IBGZPJMESA-N 1 0 374.481 2.473 20 30 FEEDRO CC(C)[C@@H]1C[NH2+]CCN1S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000528049516 562312597 /nfs/dbraw/zinc/31/25/97/562312597.db2.gz QAXAKOXITVYGGH-AWEZNQCLSA-N 1 0 361.389 2.196 20 30 FEEDRO CCc1nn(C)c(CC)c1CN1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000371469015 557190477 /nfs/dbraw/zinc/19/04/77/557190477.db2.gz CMZZRZGQWWVZOC-LHSJRXKWSA-N 1 0 363.465 2.390 20 30 FEEDRO CC(C)(C#N)CCC[N@@H+]1CCC[C@@H](c2n[nH]cc2NS(C)(=O)=O)C1 ZINC000371551286 557219968 /nfs/dbraw/zinc/21/99/68/557219968.db2.gz DULNZYPVAUASII-CYBMUJFWSA-N 1 0 353.492 2.291 20 30 FEEDRO CC[NH+]1CCN(c2ccc(CNC(=O)[C@@]3(C#N)CC34CCCC4)cn2)CC1 ZINC000518077390 562103893 /nfs/dbraw/zinc/10/38/93/562103893.db2.gz WXQGERCXXXPRQR-NRFANRHFSA-N 1 0 367.497 2.314 20 30 FEEDRO COC(=O)c1cn([C@H]2CC[N@H+](Cc3ccccc3C(C)(C)C#N)C2)nn1 ZINC000371846507 557310189 /nfs/dbraw/zinc/31/01/89/557310189.db2.gz OZKDBCSWXYCHLC-HNNXBMFYSA-N 1 0 353.426 2.313 20 30 FEEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+]C[C@H](CO)C2CCCCC2)c1 ZINC000518980011 562122454 /nfs/dbraw/zinc/12/24/54/562122454.db2.gz ZIBDUTXWEWGACA-QGZVFWFLSA-N 1 0 350.484 2.110 20 30 FEEDRO C#CCNC(=O)c1ccc(N2CCC3(C[C@@H]3C[N@@H+](C)C3CC3)CC2)nc1 ZINC000372424266 557467231 /nfs/dbraw/zinc/46/72/31/557467231.db2.gz CYEVIMSRRLZQFF-QGZVFWFLSA-N 1 0 352.482 2.145 20 30 FEEDRO Cc1nc(C#N)c(N2CCN(C(=O)C[NH2+][C@]3(C)CCCC[C@@H]3C)CC2)o1 ZINC000519586729 562135813 /nfs/dbraw/zinc/13/58/13/562135813.db2.gz RVHGILDFWQMCRX-IFXJQAMLSA-N 1 0 359.474 2.062 20 30 FEEDRO C#Cc1cccc(NC(=O)C(=O)N2CCC[C@H]2Cn2ccnc2CC)c1 ZINC000372672461 557534162 /nfs/dbraw/zinc/53/41/62/557534162.db2.gz XYFJDCNQEIPAMS-KRWDZBQOSA-N 1 0 350.422 2.057 20 30 FEEDRO C=CCNC(=O)C[N@@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3ccccc3)no2)C1 ZINC000372850058 557575293 /nfs/dbraw/zinc/57/52/93/557575293.db2.gz XTUPISIMIWMZTQ-OXQOHEQNSA-N 1 0 352.438 2.392 20 30 FEEDRO C#CC[C@@]1(C(=O)N(C)C2CC[NH+](C)CC2)CCCN1C(=O)OC(C)(C)C ZINC000373022842 557611740 /nfs/dbraw/zinc/61/17/40/557611740.db2.gz HBWNDMVUUJDAMA-FQEVSTJZSA-N 1 0 363.502 2.332 20 30 FEEDRO COc1ccc2c(c1)[C@@H]([NH3+])CCN2S(=O)(=O)c1ccc(C#N)cc1C ZINC000373176676 557644259 /nfs/dbraw/zinc/64/42/59/557644259.db2.gz CIPWVAHPGTTYIH-INIZCTEOSA-N 1 0 357.435 2.474 20 30 FEEDRO N#Cc1ccc(NC(=O)CC[NH+]2CCC(Oc3cnccn3)CC2)cc1 ZINC000373298030 557668280 /nfs/dbraw/zinc/66/82/80/557668280.db2.gz DSAVSHUONNCJGY-UHFFFAOYSA-N 1 0 351.410 2.220 20 30 FEEDRO CC[C@@H](C(=O)Nc1ccc(OC)cc1)[NH+]1CCC(n2cnc(C#N)n2)CC1 ZINC000373402813 557687591 /nfs/dbraw/zinc/68/75/91/557687591.db2.gz DIWOVVSWIMNTND-KRWDZBQOSA-N 1 0 368.441 2.213 20 30 FEEDRO C[C@H](C(=O)N1CCCc2ccccc21)[NH+]1CCC(n2cnc(C#N)n2)CC1 ZINC000373402748 557687631 /nfs/dbraw/zinc/68/76/31/557687631.db2.gz CNSNLDQBGPFEMK-OAHLLOKOSA-N 1 0 364.453 2.155 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1cn(-c2ccc(Cl)cc2)nn1 ZINC000520507051 562157732 /nfs/dbraw/zinc/15/77/32/562157732.db2.gz XAKVORVZSHFSGL-UHFFFAOYSA-N 1 0 360.849 2.228 20 30 FEEDRO C[C@@H]1CN(CC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@@]2(CCCOC2)O1 ZINC000373811434 557764481 /nfs/dbraw/zinc/76/44/81/557764481.db2.gz MCZZYISQJAZFCU-FZKQIMNGSA-N 1 0 363.845 2.420 20 30 FEEDRO C=CCN(C[C@H](O)CO[C@@H](C)COC)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000373910589 557785323 /nfs/dbraw/zinc/78/53/23/557785323.db2.gz ZYUMZEGANJVHJY-TYPHKJRUSA-N 1 0 362.514 2.161 20 30 FEEDRO C[C@@H]1CN(C(=O)CSc2ccc(C#N)cc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000374322465 557865503 /nfs/dbraw/zinc/86/55/03/557865503.db2.gz DIEQMWISYKVKQX-VQIMIIECSA-N 1 0 372.538 2.135 20 30 FEEDRO C[NH+](C)Cc1ccc(C(=O)N2C[C@H](C#N)[C@]3(C2)c2ccccc2NC3=O)cc1 ZINC000374332390 557867157 /nfs/dbraw/zinc/86/71/57/557867157.db2.gz RRUMUPNMYFRMRQ-HTAPYJJXSA-N 1 0 374.444 2.234 20 30 FEEDRO C[C@H](C(=O)N1C[C@@H](C#N)[C@@]2(C1)c1ccccc1NC2=O)[NH+]1CCCCCC1 ZINC000374385331 557876369 /nfs/dbraw/zinc/87/63/69/557876369.db2.gz KWPYUHQBKZIUNZ-ZOCZFRKYSA-N 1 0 366.465 2.123 20 30 FEEDRO COc1cc(C#N)ccc1OCCN1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000374417495 557881342 /nfs/dbraw/zinc/88/13/42/557881342.db2.gz AVLAVWBTOHKZKS-ZIFCJYIRSA-N 1 0 359.470 2.129 20 30 FEEDRO C[C@H]([NH2+]Cc1cn(C)c(=O)n(C)c1=O)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000374696639 557917951 /nfs/dbraw/zinc/91/79/51/557917951.db2.gz YINORPHZAHBUJW-HNNXBMFYSA-N 1 0 374.444 2.473 20 30 FEEDRO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N1CCn2cc(C)nc2C1 ZINC000374710525 557919895 /nfs/dbraw/zinc/91/98/95/557919895.db2.gz OBKZYCVVDKFWSC-MRXNPFEDSA-N 1 0 367.453 2.351 20 30 FEEDRO COc1cccc([C@@H]2[C@@H]([NH2+][C@H](C)C(=O)N(C)CCC#N)CCN2C2CC2)c1 ZINC000374766761 557927961 /nfs/dbraw/zinc/92/79/61/557927961.db2.gz MXQVTQQVNNWISN-UIAACRFSSA-N 1 0 370.497 2.323 20 30 FEEDRO CS(=O)(=O)Nc1c[nH]nc1[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC000374823436 557936676 /nfs/dbraw/zinc/93/66/76/557936676.db2.gz UXMULSWBALEHKP-HNNXBMFYSA-N 1 0 359.455 2.032 20 30 FEEDRO C[NH+]1CCC(C#N)(NC(=O)c2ccnc(OCc3ccccc3)c2)CC1 ZINC000521241381 562172726 /nfs/dbraw/zinc/17/27/26/562172726.db2.gz HSYVIIUPRFMVFP-UHFFFAOYSA-N 1 0 350.422 2.378 20 30 FEEDRO N#Cc1ccc(CN2CCC([NH2+][C@H]3CCC(=O)N[C@H]3C3CC3)CC2)cc1 ZINC000375301137 558006116 /nfs/dbraw/zinc/00/61/16/558006116.db2.gz FDOYWYIYLUSSSB-FPOVZHCZSA-N 1 0 352.482 2.169 20 30 FEEDRO N#Cc1ccc(CN2CCC([NH2+][C@H]3CCC(=O)N[C@@H]3C3CC3)CC2)cc1 ZINC000375301138 558006296 /nfs/dbraw/zinc/00/62/96/558006296.db2.gz FDOYWYIYLUSSSB-PZJWPPBQSA-N 1 0 352.482 2.169 20 30 FEEDRO C=CCN(C(=O)[C@H]1CCc2n[nH]nc2C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000375444866 558028485 /nfs/dbraw/zinc/02/84/85/558028485.db2.gz ZZWVIVIZBYEKLF-ROUUACIJSA-N 1 0 365.481 2.199 20 30 FEEDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CCC(C#N)(c2ccccn2)CC1 ZINC000375595653 558054447 /nfs/dbraw/zinc/05/44/47/558054447.db2.gz IAPINZGJXSFJHH-WBVHZDCISA-N 1 0 353.470 2.131 20 30 FEEDRO C#CCOc1ccccc1NC(=O)N1CCC[C@H]1C[N@H+]1CCC[C@H]1CO ZINC000376333226 558159312 /nfs/dbraw/zinc/15/93/12/558159312.db2.gz MZJBKIQINLHFMW-IRXDYDNUSA-N 1 0 357.454 2.152 20 30 FEEDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1cccc(Cl)c1C#N ZINC000376349632 558161489 /nfs/dbraw/zinc/16/14/89/558161489.db2.gz JCOSBSVMSZBBQC-DOMZBBRYSA-N 1 0 353.875 2.459 20 30 FEEDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000376571593 558192352 /nfs/dbraw/zinc/19/23/52/558192352.db2.gz BWSWIEHUAZTECJ-WMLDXEAASA-N 1 0 365.441 2.229 20 30 FEEDRO C#CCC(CC#C)C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCC[N@H+](C)C2)cc1 ZINC000376674626 558206539 /nfs/dbraw/zinc/20/65/39/558206539.db2.gz TXEQNATZKQZFPJ-FQEVSTJZSA-N 1 0 365.477 2.454 20 30 FEEDRO N#Cc1ccc(N2CC[C@H](C(=O)N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)C2)c(F)c1 ZINC000377166381 558280266 /nfs/dbraw/zinc/28/02/66/558280266.db2.gz ZOUAJNNOOCJSCG-BBWFWOEESA-N 1 0 356.445 2.267 20 30 FEEDRO CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1[C@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000377562390 558365118 /nfs/dbraw/zinc/36/51/18/558365118.db2.gz DWHGZDYAMRCSCZ-BPQIPLTHSA-N 1 0 360.502 2.193 20 30 FEEDRO N#C[C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CCN1Cc1ccccc1 ZINC000377669787 558391712 /nfs/dbraw/zinc/39/17/12/558391712.db2.gz ORUWWVZJSLJSDE-VAMGGRTRSA-N 1 0 367.497 2.033 20 30 FEEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000377735137 558407958 /nfs/dbraw/zinc/40/79/58/558407958.db2.gz UHDVRUYPEIWRIQ-ROUUACIJSA-N 1 0 372.469 2.408 20 30 FEEDRO CN1CC[N@H+](C)C[C@H]1CNC(=O)c1cccc(Nc2ccc(C#N)cc2)c1 ZINC000523138340 562208831 /nfs/dbraw/zinc/20/88/31/562208831.db2.gz OKNDQTOFVIMBQG-HXUWFJFHSA-N 1 0 363.465 2.277 20 30 FEEDRO C=CCOc1ccccc1C(=O)N1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000378366210 558540202 /nfs/dbraw/zinc/54/02/02/558540202.db2.gz BEZFFXGQHOWLDZ-KRWDZBQOSA-N 1 0 357.498 2.492 20 30 FEEDRO COC(=O)[C@H](c1cccc(C#N)c1)N1CCC(C)(C[NH+]2CCOCC2)CC1 ZINC000378432896 558556207 /nfs/dbraw/zinc/55/62/07/558556207.db2.gz IHSJXJIXFCPDEX-IBGZPJMESA-N 1 0 371.481 2.207 20 30 FEEDRO C[C@@H]1C[C@@H]1N1C[C@H]([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CC1=O ZINC000378449916 558560140 /nfs/dbraw/zinc/56/01/40/558560140.db2.gz HDSRKEPNSSMZAL-YSGRDPCXSA-N 1 0 352.482 2.122 20 30 FEEDRO C=CCc1ccc(OC[C@H](O)CN(C)[C@H]2CC[N@@H+](C3CC3)C2)c(OC)c1 ZINC000523582871 562215776 /nfs/dbraw/zinc/21/57/76/562215776.db2.gz KDHVVCFKXAULAG-RBUKOAKNSA-N 1 0 360.498 2.332 20 30 FEEDRO C[N@H+](Cc1ccccc1)C1(CNS(=O)(=O)c2cncc(C#N)c2)CCC1 ZINC000395446796 558622604 /nfs/dbraw/zinc/62/26/04/558622604.db2.gz SDLXHTCGOUDXGI-UHFFFAOYSA-N 1 0 370.478 2.286 20 30 FEEDRO C[C@H](C(=O)NC[C@@H](c1ccccc1)[NH+]1CCC(C)CC1)n1cnc(C#N)n1 ZINC000409491554 558696846 /nfs/dbraw/zinc/69/68/46/558696846.db2.gz AEWDJPMCAJUERV-AEFFLSMTSA-N 1 0 366.469 2.300 20 30 FEEDRO CC[NH+](CC)CCCC1CCN(S(=O)(=O)N(C)C[C@@H](C)C#N)CC1 ZINC000409511902 558699285 /nfs/dbraw/zinc/69/92/85/558699285.db2.gz XHWUSHOYJRXSPF-INIZCTEOSA-N 1 0 358.552 2.157 20 30 FEEDRO N#Cc1cc(S(=O)(=O)NCCC[NH+]2CCCC2)ccc1C(F)(F)F ZINC000409535499 558700974 /nfs/dbraw/zinc/70/09/74/558700974.db2.gz LMWSZSBUXGTAMN-UHFFFAOYSA-N 1 0 361.389 2.341 20 30 FEEDRO C[C@@H](C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1)n1cnc(C#N)n1 ZINC000409694719 558713505 /nfs/dbraw/zinc/71/35/05/558713505.db2.gz NHGPQHMMDKQCJE-GJZGRUSLSA-N 1 0 352.442 2.053 20 30 FEEDRO C=CCN1CC[C@H](N(C)C(=O)c2ccc(C[NH+]3CCSCC3)cc2)C1=O ZINC000410120133 558739938 /nfs/dbraw/zinc/73/99/38/558739938.db2.gz OZQNKZDFFOIHBD-SFHVURJKSA-N 1 0 373.522 2.094 20 30 FEEDRO C=CC[C@H]1N(C(=O)C(=O)N2CCN(c3ccccn3)CC2)CCCC1(C)C ZINC000411004820 558831024 /nfs/dbraw/zinc/83/10/24/558831024.db2.gz SFSIWHSTURJJSR-QGZVFWFLSA-N 1 0 370.497 2.324 20 30 FEEDRO C=CC[N@@H+](CCc1ccccc1)[C@H](C)C(=O)NC(=O)NCC(F)(F)F ZINC000411193342 558851403 /nfs/dbraw/zinc/85/14/03/558851403.db2.gz FKNOLUGCHXQESJ-CYBMUJFWSA-N 1 0 357.376 2.494 20 30 FEEDRO C=CCN1C(=O)c2ccc(C(=O)N(C)[C@@H]3CC[N@@H+](CC)[C@@H](C)C3)cc2C1=O ZINC000525397240 562247518 /nfs/dbraw/zinc/24/75/18/562247518.db2.gz MNYFZILFORCYOI-GOEBONIOSA-N 1 0 369.465 2.413 20 30 FEEDRO CNC(=O)C[C@@H]([NH2+]CCC(=O)Nc1ccccc1C#N)c1ccccc1 ZINC000411678566 558942169 /nfs/dbraw/zinc/94/21/69/558942169.db2.gz LYSOPGHTKLULHQ-GOSISDBHSA-N 1 0 350.422 2.354 20 30 FEEDRO C[C@H](c1ccccc1)[C@@H]([NH2+]CCC(=O)Nc1cccc(C#N)c1)C(N)=O ZINC000411754623 558956942 /nfs/dbraw/zinc/95/69/42/558956942.db2.gz HNDGWBMKJRHOHR-AUUYWEPGSA-N 1 0 350.422 2.134 20 30 FEEDRO COC(=O)[C@@H]1CN(CC#Cc2ccc(C(F)(F)F)cc2)CC[N@H+](C)C1 ZINC000411911053 558986635 /nfs/dbraw/zinc/98/66/35/558986635.db2.gz SULROPUFBOFEBM-HNNXBMFYSA-N 1 0 354.372 2.094 20 30 FEEDRO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CC[C@@H](c3nnc(C)[nH]3)C2)c(OC)c1 ZINC000412028060 559004285 /nfs/dbraw/zinc/00/42/85/559004285.db2.gz MPGOSUWKLRUISX-IAGOWNOFSA-N 1 0 372.469 2.079 20 30 FEEDRO C[N@H+](CCN1CCN(c2ncc(C#N)cc2F)CC1)Cc1ccccc1 ZINC000413124862 559080419 /nfs/dbraw/zinc/08/04/19/559080419.db2.gz PREWZQIHYIBOSJ-UHFFFAOYSA-N 1 0 353.445 2.346 20 30 FEEDRO N#Cc1cnc(NCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)c(F)c1 ZINC000413133075 559081456 /nfs/dbraw/zinc/08/14/56/559081456.db2.gz JPDJEADAYAPWAW-KRWDZBQOSA-N 1 0 367.428 2.402 20 30 FEEDRO COC(=O)[C@H]1CN(Cc2ccc(C#N)cc2C(F)(F)F)CC[N@H+](C)C1 ZINC000414485759 559167959 /nfs/dbraw/zinc/16/79/59/559167959.db2.gz IKWNWQVBWNJVEK-CQSZACIVSA-N 1 0 355.360 2.114 20 30 FEEDRO CNC(=O)NC1CC[NH+](Cc2ccc(OC)c(OCCCC#N)c2)CC1 ZINC000414549205 559171178 /nfs/dbraw/zinc/17/11/78/559171178.db2.gz ZUWMGCXLMOTTQT-UHFFFAOYSA-N 1 0 360.458 2.271 20 30 FEEDRO CC(C)(C#N)c1ccc(NC(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])cc1 ZINC000414838843 559190293 /nfs/dbraw/zinc/19/02/93/559190293.db2.gz ZNNRAHFHCHFHCR-QGZVFWFLSA-N 1 0 371.485 2.339 20 30 FEEDRO C=CCOc1c(Br)cc(CN[C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1OC ZINC000415047907 559202232 /nfs/dbraw/zinc/20/22/32/559202232.db2.gz YZOHYNANYSTAHD-JYAVWHMHSA-N 1 0 353.260 2.330 20 30 FEEDRO CC[N@@H+]1CCC[C@H]1CNC(=O)NC1CCC(Oc2ncccc2C#N)CC1 ZINC000527103189 562276570 /nfs/dbraw/zinc/27/65/70/562276570.db2.gz QXUCXJDFZVSEHN-ADKAHSJRSA-N 1 0 371.485 2.427 20 30 FEEDRO C=C(C)CN(Cc1ccc(CO)o1)C(=O)C(=O)Nc1cccc(C[NH2+]C)c1 ZINC000415236107 559217126 /nfs/dbraw/zinc/21/71/26/559217126.db2.gz XLLHFFDYJZPCTM-UHFFFAOYSA-N 1 0 371.437 2.035 20 30 FEEDRO N#CCCCOc1cccc(NC(=O)C(=O)NCC2([NH3+])CCCCC2)c1 ZINC000415275817 559220205 /nfs/dbraw/zinc/22/02/05/559220205.db2.gz BTSWLJNSVHUWFO-UHFFFAOYSA-N 1 0 358.442 2.085 20 30 FEEDRO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)Nc2ccccc2SCCC#N)C1 ZINC000415275727 559220226 /nfs/dbraw/zinc/22/02/26/559220226.db2.gz BUXAVWPZASMSIQ-AWEZNQCLSA-N 1 0 360.483 2.089 20 30 FEEDRO C[NH2+][C@H]1CCN(C(=O)C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)C1 ZINC000415292415 559221456 /nfs/dbraw/zinc/22/14/56/559221456.db2.gz BPJQQDCIVKUWDJ-INIZCTEOSA-N 1 0 364.405 2.109 20 30 FEEDRO N#Cc1ccc(Oc2ccc(NC(=O)C(=O)NC[C@H]3CCC[NH2+]3)cc2)cc1 ZINC000415376739 559228939 /nfs/dbraw/zinc/22/89/39/559228939.db2.gz LJXZCYOYQAYPHK-MRXNPFEDSA-N 1 0 364.405 2.157 20 30 FEEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000415382365 559229558 /nfs/dbraw/zinc/22/95/58/559229558.db2.gz AHZFRAHWLQXLNJ-INIZCTEOSA-N 1 0 366.421 2.100 20 30 FEEDRO CCCN(C(=O)C(=O)Nc1scc(C(C)(C)C)c1C#N)[C@H]1CC[NH2+]C1 ZINC000415389475 559230336 /nfs/dbraw/zinc/23/03/36/559230336.db2.gz JBAUVHIEGXSYPX-LBPRGKRZSA-N 1 0 362.499 2.456 20 30 FEEDRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)C1 ZINC000415436031 559236583 /nfs/dbraw/zinc/23/65/83/559236583.db2.gz BHBOWCWKPJGSIS-OCCSQVGLSA-N 1 0 372.860 2.988 20 30 FEEDRO CC1(CNC(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)CC[NH2+]CC1 ZINC000415445465 559237701 /nfs/dbraw/zinc/23/77/01/559237701.db2.gz GUGMRDQAYBPEKI-UHFFFAOYSA-N 1 0 372.860 2.909 20 30 FEEDRO C[C@H]1CCN(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)C[C@H]1C[NH3+] ZINC000415466663 559240215 /nfs/dbraw/zinc/24/02/15/559240215.db2.gz ULCFDZZJTPBVKX-GXTWGEPZSA-N 1 0 372.860 2.846 20 30 FEEDRO CCC([NH3+])(CC)CNC(=O)C(=O)Nc1cccc(C#Cc2ccccn2)c1 ZINC000415473492 559241069 /nfs/dbraw/zinc/24/10/69/559241069.db2.gz FQKBOMIXKIKBHB-UHFFFAOYSA-N 1 0 364.449 2.054 20 30 FEEDRO CCC([NH3+])(CC)CNC(=O)C(=O)Nc1scc(C(C)(C)C)c1C#N ZINC000415493328 559243285 /nfs/dbraw/zinc/24/32/85/559243285.db2.gz PPKZQBVFOSGVKY-UHFFFAOYSA-N 1 0 350.488 2.489 20 30 FEEDRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000415495575 559243390 /nfs/dbraw/zinc/24/33/90/559243390.db2.gz FTUKLEFFCNCUFQ-AWEZNQCLSA-N 1 0 370.375 2.347 20 30 FEEDRO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)Nc1ccccc1SCCC#N ZINC000415505275 559244561 /nfs/dbraw/zinc/24/45/61/559244561.db2.gz PWEDLQANSGAHIF-CQSZACIVSA-N 1 0 362.499 2.463 20 30 FEEDRO N#CCCSc1ccccc1NC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000415579266 559251953 /nfs/dbraw/zinc/25/19/53/559251953.db2.gz JZPHTLCUOOXPMC-ZNMIVQPWSA-N 1 0 372.494 2.217 20 30 FEEDRO C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CCCC[C@H]2[C@H](C)[NH3+])cc1 ZINC000415605908 559254554 /nfs/dbraw/zinc/25/45/54/559254554.db2.gz YDLAXJLYQWQTFM-WWGRRREGSA-N 1 0 364.471 2.106 20 30 FEEDRO C=CCCc1ccccc1NC(=O)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000415803547 559272862 /nfs/dbraw/zinc/27/28/62/559272862.db2.gz JUNFMKLEBYHBMK-MJGOQNOKSA-N 1 0 371.481 2.099 20 30 FEEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000415841546 559277399 /nfs/dbraw/zinc/27/73/99/559277399.db2.gz NYKXENVLPFFLCK-PJIJBLCYSA-N 1 0 374.510 2.320 20 30 FEEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000415843999 559277716 /nfs/dbraw/zinc/27/77/16/559277716.db2.gz TXJRTXDWBZTRLJ-BIENJYKASA-N 1 0 374.510 2.463 20 30 FEEDRO CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)CC1 ZINC000415861854 559279436 /nfs/dbraw/zinc/27/94/36/559279436.db2.gz PCILORJOHVKFHA-MRXNPFEDSA-N 1 0 374.872 2.387 20 30 FEEDRO C[NH2+]Cc1ccccc1NC(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000415902894 559281859 /nfs/dbraw/zinc/28/18/59/559281859.db2.gz POTDJVSUZKHTQP-INIZCTEOSA-N 1 0 351.410 2.358 20 30 FEEDRO CC[NH2+]Cc1cccc(NC(=O)N2CCN(c3cccc(C#N)n3)CC2)c1 ZINC000415919487 559282510 /nfs/dbraw/zinc/28/25/10/559282510.db2.gz MVYHQMPMTNOGLZ-UHFFFAOYSA-N 1 0 364.453 2.417 20 30 FEEDRO C=CCN(CCc1ccccc1)C(=O)Nc1cnc(N2CC[NH2+]CC2)nc1 ZINC000415952984 559284522 /nfs/dbraw/zinc/28/45/22/559284522.db2.gz LXGDMRPMNMSEPZ-UHFFFAOYSA-N 1 0 366.469 2.149 20 30 FEEDRO C[NH2+]Cc1ccc(NC(=O)N2CCN(c3ncccc3C#N)CC2)cc1 ZINC000415994871 559288082 /nfs/dbraw/zinc/28/80/82/559288082.db2.gz WMVSHHPBUVOWNL-UHFFFAOYSA-N 1 0 350.426 2.027 20 30 FEEDRO C[C@H](C#N)S(=O)(=O)N(CC[NH+](C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000416386302 559309254 /nfs/dbraw/zinc/30/92/54/559309254.db2.gz INRDGTDYTKCVJZ-GFCCVEGCSA-N 1 0 363.405 2.311 20 30 FEEDRO C[NH+](C)C[C@H]1CCCN1S(=O)(=O)c1cc(Br)ccc1C#N ZINC000416429175 559312419 /nfs/dbraw/zinc/31/24/19/559312419.db2.gz UYYYTTIDJZTSQL-CYBMUJFWSA-N 1 0 372.288 2.035 20 30 FEEDRO C[NH2+][C@@H]1CCCN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)C1 ZINC000417579982 559367548 /nfs/dbraw/zinc/36/75/48/559367548.db2.gz QIWHLNMFYKWJJI-HZPDHXFCSA-N 1 0 359.449 2.060 20 30 FEEDRO C=C(C)[C@@H](NC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1)c1ccc(F)c(F)c1 ZINC000418025989 559387134 /nfs/dbraw/zinc/38/71/34/559387134.db2.gz GPNORZBFOGIZMG-CRAIPNDOSA-N 1 0 364.440 2.271 20 30 FEEDRO N#Cc1cccnc1OC1CCC(NC(=O)NCCC[NH2+]C2CC2)CC1 ZINC000418053421 559388274 /nfs/dbraw/zinc/38/82/74/559388274.db2.gz ZCHOPHVMRQUFDP-UHFFFAOYSA-N 1 0 357.458 2.085 20 30 FEEDRO N#CCCC[C@@H](NC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1)c1ccccc1 ZINC000418209998 559394035 /nfs/dbraw/zinc/39/40/35/559394035.db2.gz GDNOVJSAKLECJB-RTBURBONSA-N 1 0 355.486 2.111 20 30 FEEDRO N#Cc1ccccc1N1CCCN(C(=O)NC[C@H]([NH3+])c2ccccc2)CC1 ZINC000418458138 559402446 /nfs/dbraw/zinc/40/24/46/559402446.db2.gz WNEPHSSBJUWDKQ-IBGZPJMESA-N 1 0 363.465 2.480 20 30 FEEDRO C[C@@H]([NH3+])c1ccc(CNC(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1 ZINC000418494517 559403732 /nfs/dbraw/zinc/40/37/32/559403732.db2.gz SIZSNNDEDWYINB-OAHLLOKOSA-N 1 0 364.453 2.005 20 30 FEEDRO N#CCC[C@@H](NC(=O)C(=O)N(CC[NH3+])Cc1ccccc1)c1ccccc1 ZINC000419476457 559444322 /nfs/dbraw/zinc/44/43/22/559444322.db2.gz POROMOVLPGVWNJ-LJQANCHMSA-N 1 0 364.449 2.135 20 30 FEEDRO N#CCC[C@H](NC(=O)C(=O)N[C@@H](C[NH3+])C1CCCCC1)c1ccccc1 ZINC000419477978 559444477 /nfs/dbraw/zinc/44/44/77/559444477.db2.gz RZZXVULWFZKWQL-ROUUACIJSA-N 1 0 356.470 2.171 20 30 FEEDRO N#CCC[C@@H](NC(=O)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1)c1ccccc1 ZINC000419480183 559444580 /nfs/dbraw/zinc/44/45/80/559444580.db2.gz VZZQRXQHMGFECU-RTBURBONSA-N 1 0 368.481 2.138 20 30 FEEDRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000419643847 559451326 /nfs/dbraw/zinc/45/13/26/559451326.db2.gz OJHLKHHHWKBWEP-KXBFYZLASA-N 1 0 370.497 2.422 20 30 FEEDRO CC(C)(O)C[NH+]1CCN(C(=O)N[C@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000419656769 559452124 /nfs/dbraw/zinc/45/21/24/559452124.db2.gz ZPGRNPXGHDNOTP-SFHVURJKSA-N 1 0 356.470 2.034 20 30 FEEDRO C=C(C)[C@@H](NC(=O)C(=O)N1CCC(C[NH2+]C)CC1)c1ccc(F)c(F)c1 ZINC000419670469 559452809 /nfs/dbraw/zinc/45/28/09/559452809.db2.gz CTNNZPKYNHEYPO-QGZVFWFLSA-N 1 0 365.424 2.156 20 30 FEEDRO C=CCC[C@H]1NC(=O)N(CCCN2CC[NH+](Cc3ccccc3)CC2)C1=O ZINC000419923132 559464730 /nfs/dbraw/zinc/46/47/30/559464730.db2.gz KYOWWWHCOXLAKB-LJQANCHMSA-N 1 0 370.497 2.081 20 30 FEEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000419950622 559465951 /nfs/dbraw/zinc/46/59/51/559465951.db2.gz MPBHTHJZTYIHMN-GFCCVEGCSA-N 1 0 355.891 2.174 20 30 FEEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000420109611 559473166 /nfs/dbraw/zinc/47/31/66/559473166.db2.gz YSNXDZSPCLZKQW-YPMHNXCESA-N 1 0 355.891 2.030 20 30 FEEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000420144115 559474717 /nfs/dbraw/zinc/47/47/17/559474717.db2.gz MLDFUBGXINETAL-WCQYABFASA-N 1 0 355.891 2.030 20 30 FEEDRO C=C(C)CN(Cc1ccccc1)C(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000420196595 559476127 /nfs/dbraw/zinc/47/61/27/559476127.db2.gz APGYUPBYYOYOGP-CEXWTWQISA-N 1 0 355.482 2.096 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)NC[C@H]2CCC[C@H]([NH3+])C2)cc1C(F)(F)F ZINC000420476819 559489596 /nfs/dbraw/zinc/48/95/96/559489596.db2.gz YYCRZVHYVANLQT-JQWIXIFHSA-N 1 0 361.389 2.373 20 30 FEEDRO CN(C[C@@H]1CCC[N@@H+]1C)S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000420757235 559502697 /nfs/dbraw/zinc/50/26/97/559502697.db2.gz BUVXPJJRZMHAMU-LBPRGKRZSA-N 1 0 361.389 2.292 20 30 FEEDRO COc1cc[nH+]c(N2CCN(C(=O)NCc3ccc(C#N)s3)CC2)c1 ZINC000420885910 559509372 /nfs/dbraw/zinc/50/93/72/559509372.db2.gz JMCJGNLTVAQMNN-UHFFFAOYSA-N 1 0 357.439 2.055 20 30 FEEDRO C[NH+](C)C1CCC(NC(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CC1 ZINC000421087609 559523500 /nfs/dbraw/zinc/52/35/00/559523500.db2.gz LBLVYGKDWLFQBJ-UHFFFAOYSA-N 1 0 370.432 2.877 20 30 FEEDRO CCOC(=O)c1c(NC(=O)NC2CC[NH+](CC)CC2)c(C#N)cn1CC ZINC000421166493 559528199 /nfs/dbraw/zinc/52/81/99/559528199.db2.gz QBCIMVAUCBFWCJ-UHFFFAOYSA-N 1 0 361.446 2.162 20 30 FEEDRO CCOC(=O)c1c(NC(=O)N2CC[NH+](C3CCC3)CC2)c(C#N)cn1CC ZINC000421170110 559528473 /nfs/dbraw/zinc/52/84/73/559528473.db2.gz CVYBALVBUHSDRH-UHFFFAOYSA-N 1 0 373.457 2.258 20 30 FEEDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)Nc1sc(C(C)(C)C)cc1C#N ZINC000421308754 559538215 /nfs/dbraw/zinc/53/82/15/559538215.db2.gz YTDKSUMMJXIPLE-CYBMUJFWSA-N 1 0 362.499 2.408 20 30 FEEDRO Cn1cc(C[NH2+]C[C@H]2CC[C@H](C(N)=O)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000421355450 559540081 /nfs/dbraw/zinc/54/00/81/559540081.db2.gz ZGNUALHBVIANHA-JCNLHEQBSA-N 1 0 351.454 2.340 20 30 FEEDRO C[C@@H]([NH2+][C@@H](C)C(=O)NC1(C#N)CCC1)c1cccc(N2CCCC2=O)c1 ZINC000527299033 562284183 /nfs/dbraw/zinc/28/41/83/562284183.db2.gz ZYHPMEJMZLNZJZ-CABCVRRESA-N 1 0 354.454 2.415 20 30 FEEDRO C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000422409993 559586172 /nfs/dbraw/zinc/58/61/72/559586172.db2.gz FQYCLGLBEIZLOK-NXHRZFHOSA-N 1 0 355.482 2.031 20 30 FEEDRO C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N[C@H](C)C1=CC[N@H+](C)CC1 ZINC000422422012 559587192 /nfs/dbraw/zinc/58/71/92/559587192.db2.gz FCUTYASMZGRBMR-VQIMIIECSA-N 1 0 355.482 2.057 20 30 FEEDRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)C(=O)NCC(C)(C)CC#N)CC1 ZINC000422489248 559591512 /nfs/dbraw/zinc/59/15/12/559591512.db2.gz OYDHSJUNSZQYEV-UHFFFAOYSA-N 1 0 370.497 2.165 20 30 FEEDRO C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)NC[C@H]1CC[N@@H+](CCC)C1 ZINC000422548028 559594292 /nfs/dbraw/zinc/59/42/92/559594292.db2.gz YIGZAQVEZPRFMO-MOPGFXCFSA-N 1 0 357.498 2.138 20 30 FEEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)NC1CCC([NH+](C)C)CC1 ZINC000422639403 559599499 /nfs/dbraw/zinc/59/94/99/559599499.db2.gz SREZTOYJIHLSLR-UHFFFAOYSA-N 1 0 373.497 2.199 20 30 FEEDRO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCC(O)(C[NH3+])CC1 ZINC000424061127 559653179 /nfs/dbraw/zinc/65/31/79/559653179.db2.gz RBDFJQMJAHOUKX-UHFFFAOYSA-N 1 0 358.360 2.196 20 30 FEEDRO N#CCCC[C@H]([NH3+])C(=O)N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000424116634 559655277 /nfs/dbraw/zinc/65/52/77/559655277.db2.gz XNRATGOABXOHBM-LSDHHAIUSA-N 1 0 366.259 2.370 20 30 FEEDRO CN(C)C(=O)C[C@H]1CN(C(=O)[C@@H]([NH3+])CCCC#N)c2ccc(Cl)cc21 ZINC000424120090 559655380 /nfs/dbraw/zinc/65/53/80/559655380.db2.gz GPNSWSMHANIVPB-WFASDCNBSA-N 1 0 362.861 2.270 20 30 FEEDRO C=CCn1c([C@@H]2OCC[C@@H]2C)nnc1N1CC[NH+](C(C)(C)COC)CC1 ZINC000424122131 559655458 /nfs/dbraw/zinc/65/54/58/559655458.db2.gz GNUAJPQABARVQH-JKSUJKDBSA-N 1 0 363.506 2.109 20 30 FEEDRO COc1ccc(Cl)cc1N1CC[C@H](NC(=O)[C@H]([NH3+])CCCC#N)C1 ZINC000424151044 559656238 /nfs/dbraw/zinc/65/62/38/559656238.db2.gz GZODLJXHRDPETK-UONOGXRCSA-N 1 0 350.850 2.065 20 30 FEEDRO N#CCCC[C@H]([NH3+])C(=O)N1CCO[C@@H](c2cccc(OC(F)F)c2)C1 ZINC000424167180 559656516 /nfs/dbraw/zinc/65/65/16/559656516.db2.gz GWSJXHUAYMMENK-LSDHHAIUSA-N 1 0 353.369 2.209 20 30 FEEDRO CCN1CC[C@H](NC(=O)[C@@H]([NH3+])CCCC#N)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000424178536 559656949 /nfs/dbraw/zinc/65/69/49/559656949.db2.gz WVXWKXIGWKOIHE-ZOBUZTSGSA-N 1 0 368.403 2.377 20 30 FEEDRO C=CCn1cc(C[NH2+][C@@H](C)CCCCN2C(=O)c3ccccc3C2=O)nn1 ZINC000424294753 559660840 /nfs/dbraw/zinc/66/08/40/559660840.db2.gz LKJIVUIJHDRGDZ-HNNXBMFYSA-N 1 0 367.453 2.409 20 30 FEEDRO C[C@H]1CC2(CN1S(=O)(=O)c1ccc(Cl)c(C#N)c1)CC[NH2+]CC2 ZINC000424393080 559662896 /nfs/dbraw/zinc/66/28/96/559662896.db2.gz QUFCDWQWCYQXRT-LBPRGKRZSA-N 1 0 353.875 2.364 20 30 FEEDRO C=CCC1(C(=O)N2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)CCOCC1 ZINC000424635150 559671827 /nfs/dbraw/zinc/67/18/27/559671827.db2.gz ZFKQGNQVBOXEMU-OALUTQOASA-N 1 0 363.546 2.376 20 30 FEEDRO C=CCCn1cc(C(=O)NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)nn1 ZINC000424733812 559674987 /nfs/dbraw/zinc/67/49/87/559674987.db2.gz IVVYRBZWDOYYDP-HNNXBMFYSA-N 1 0 354.458 2.205 20 30 FEEDRO C=CCC1(C(=O)NC[C@@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)CCOCC1 ZINC000424759826 559675802 /nfs/dbraw/zinc/67/58/02/559675802.db2.gz WNKSZEUSGVTHJG-RBUKOAKNSA-N 1 0 358.482 2.111 20 30 FEEDRO CN1CC[NH+](CC2(C)CCN(c3ncc4c(c3C#N)CCC4)CC2)CC1 ZINC000425244056 559693078 /nfs/dbraw/zinc/69/30/78/559693078.db2.gz GUFMDTXGZQGZET-UHFFFAOYSA-N 1 0 353.514 2.296 20 30 FEEDRO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000425385081 559699290 /nfs/dbraw/zinc/69/92/90/559699290.db2.gz NCYSGGKHOUVUKL-INIZCTEOSA-N 1 0 368.481 2.164 20 30 FEEDRO C=CCn1cc(CNC(=O)NC[C@H](c2ccccc2)[NH+](CC)CC)nn1 ZINC000425400669 559700259 /nfs/dbraw/zinc/70/02/59/559700259.db2.gz CXDXBNYHYRUWMP-GOSISDBHSA-N 1 0 356.474 2.346 20 30 FEEDRO COC(=O)[C@@H](CC[NH+]1CCN(c2cc(C#N)ccn2)CC1)c1ccccc1 ZINC000425407461 559700624 /nfs/dbraw/zinc/70/06/24/559700624.db2.gz PMSUIILMMQSJJI-IBGZPJMESA-N 1 0 364.449 2.422 20 30 FEEDRO C=CCn1cc(CNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)nn1 ZINC000425470328 559703913 /nfs/dbraw/zinc/70/39/13/559703913.db2.gz FMOKRGADDOINJG-VQIMIIECSA-N 1 0 368.485 2.174 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000425569643 559710247 /nfs/dbraw/zinc/71/02/47/559710247.db2.gz ZHBDLUHCWYDQGL-HAGHYFMRSA-N 1 0 355.482 2.351 20 30 FEEDRO C[C@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000425867454 559723292 /nfs/dbraw/zinc/72/32/92/559723292.db2.gz RVQUTRMTDYQPSX-MRXNPFEDSA-N 1 0 370.497 2.458 20 30 FEEDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N(C)[C@H](C)c2cccc(C#N)c2)C1 ZINC000425886173 559724045 /nfs/dbraw/zinc/72/40/45/559724045.db2.gz PWMLZQNOXNQJJV-AEFFLSMTSA-N 1 0 370.497 2.314 20 30 FEEDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)CNc2cccc(C#N)c2)[C@@H](C)C1 ZINC000426746175 559741333 /nfs/dbraw/zinc/74/13/33/559741333.db2.gz JBPPINIYOBCZBL-QFBILLFUSA-N 1 0 358.486 2.223 20 30 FEEDRO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)OC)C1 ZINC000429128423 559791450 /nfs/dbraw/zinc/79/14/50/559791450.db2.gz PFXJUOLWMBLXFO-UHOFOFEASA-N 1 0 350.846 2.219 20 30 FEEDRO C[NH+](C)[C@@H]1CCCN(C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CC1 ZINC000429619303 559802406 /nfs/dbraw/zinc/80/24/06/559802406.db2.gz NGLXFYLKEOPBGB-CQSZACIVSA-N 1 0 370.432 2.831 20 30 FEEDRO C[C@H](CNC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C)[N@@H+]1CCCC[C@@H]1C ZINC000434729783 559907845 /nfs/dbraw/zinc/90/78/45/559907845.db2.gz ZEPKTUYUEXOHGI-LSDHHAIUSA-N 1 0 373.501 2.432 20 30 FEEDRO N#CCCn1cc(C[N@H+]2CCSC[C@@H]2CCO)c(-c2ccncc2)n1 ZINC000435125211 559916782 /nfs/dbraw/zinc/91/67/82/559916782.db2.gz DEJBNEGDEYDRES-KRWDZBQOSA-N 1 0 357.483 2.159 20 30 FEEDRO C[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)CC[N@@H+]1C ZINC000435155388 559917449 /nfs/dbraw/zinc/91/74/49/559917449.db2.gz LAPPDHHIFWHBAD-PWSUYJOCSA-N 1 0 361.389 2.338 20 30 FEEDRO N#Cc1ccc(CN2CC[C@H](C[NH+]3CCOCC3)C2)c(OC(F)F)c1 ZINC000437895848 559971215 /nfs/dbraw/zinc/97/12/15/559971215.db2.gz LZNDSCDVPXEZIB-OAHLLOKOSA-N 1 0 351.397 2.314 20 30 FEEDRO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000437985739 559972538 /nfs/dbraw/zinc/97/25/38/559972538.db2.gz MMRSKKWZFHAFHG-SJLPKXTDSA-N 1 0 353.507 2.110 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CC[N@H+](CCOC)[C@H](CCC)C1 ZINC000438442202 559979234 /nfs/dbraw/zinc/97/92/34/559979234.db2.gz JDTPDKMZXJLMQA-KSZLIROESA-N 1 0 353.507 2.110 20 30 FEEDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NS(=O)(=O)Cc1ccc(C#N)cc1F ZINC000440043663 560003667 /nfs/dbraw/zinc/00/36/67/560003667.db2.gz NKDUNXAQDRHNJV-KFWWJZLASA-N 1 0 367.490 2.483 20 30 FEEDRO C[C@@H]([NH2+]CCNS(=O)(=O)c1ccc(F)cc1F)c1cccc(C#N)c1 ZINC000442096840 560043870 /nfs/dbraw/zinc/04/38/70/560043870.db2.gz IVMIBXCXXLRSIC-GFCCVEGCSA-N 1 0 365.405 2.466 20 30 FEEDRO C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccccc2SCCC#N)CC[N@@H+]1C ZINC000442126013 560044423 /nfs/dbraw/zinc/04/44/23/560044423.db2.gz FZJIEERDIUESCK-KGLIPLIRSA-N 1 0 360.483 2.230 20 30 FEEDRO N#C[C@@H]1CC[C@H]([NH2+]Cc2ccccc2OCC(=O)NC[C@H]2CCCO2)C1 ZINC000442774921 560057070 /nfs/dbraw/zinc/05/70/70/560057070.db2.gz BDTWMHNQDXJVPL-BPQIPLTHSA-N 1 0 357.454 2.142 20 30 FEEDRO Cn1cc([C@@H]2C[N@H+](Cc3ccc(C#N)cc3OC(F)F)C[C@H]2CO)cn1 ZINC000444749977 560119602 /nfs/dbraw/zinc/11/96/02/560119602.db2.gz WOBHPQUXNWYMSI-HOTGVXAUSA-N 1 0 362.380 2.101 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CC[C@@H](OCCOC)C1 ZINC000444749825 560119706 /nfs/dbraw/zinc/11/97/06/560119706.db2.gz VSPPXTSBWYYESP-JKSUJKDBSA-N 1 0 352.500 2.389 20 30 FEEDRO C[N@H+](CCNC(=O)C(=O)Nc1cc(C#N)ccc1Cl)Cc1ccccc1 ZINC000447254789 560158885 /nfs/dbraw/zinc/15/88/85/560158885.db2.gz HYZFWUOWXQLBGK-UHFFFAOYSA-N 1 0 370.840 2.398 20 30 FEEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)C[NH2+][C@@H](CO)[C@@H]2CCCO2)c1C#N ZINC000447915635 560172911 /nfs/dbraw/zinc/17/29/11/560172911.db2.gz SDDXDNMMPGRAPU-ROUUACIJSA-N 1 0 374.485 2.160 20 30 FEEDRO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](Cc1ccccc1)C[C@@]1(O)CCO[C@H]1C ZINC000447926736 560173392 /nfs/dbraw/zinc/17/33/92/560173392.db2.gz NDHCSULSQLJQMI-WMQCIHAUSA-N 1 0 373.497 2.083 20 30 FEEDRO COc1cc(C[NH2+][C@H]2CC[C@@H](CC#N)C2)cc(Cl)c1OCC(N)=O ZINC000449446976 560230319 /nfs/dbraw/zinc/23/03/19/560230319.db2.gz VEBBFUKOEPBXMP-AAEUAGOBSA-N 1 0 351.834 2.385 20 30 FEEDRO N#Cc1ccc(OCC(=O)N[C@H]2CC[N@@H+](C3CC3)C2)cc1Br ZINC000449807176 560240719 /nfs/dbraw/zinc/24/07/19/560240719.db2.gz UYJYWQKZKGFNNF-LBPRGKRZSA-N 1 0 364.243 2.052 20 30 FEEDRO N#Cc1ccc(OCC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1Br ZINC000449831580 560241805 /nfs/dbraw/zinc/24/18/05/560241805.db2.gz XAWWJFGXXQUZRJ-CYBMUJFWSA-N 1 0 364.243 2.006 20 30 FEEDRO C[C@@H]1CC[N@H+](C)CCN1C(=O)COc1cccc(Br)c1C#N ZINC000449857541 560242903 /nfs/dbraw/zinc/24/29/03/560242903.db2.gz RPJVCNLRJNNSPC-GFCCVEGCSA-N 1 0 366.259 2.252 20 30 FEEDRO CC(C)N(CC[NH+](C)C)C(=O)COc1cccc(Br)c1C#N ZINC000450201979 560253792 /nfs/dbraw/zinc/25/37/92/560253792.db2.gz ZUSOMXJIHYIJMO-UHFFFAOYSA-N 1 0 368.275 2.498 20 30 FEEDRO CC(C)C[N@@H+]1CCO[C@@H](CNc2ncc(Br)cc2C#N)C1 ZINC000450224141 560254402 /nfs/dbraw/zinc/25/44/02/560254402.db2.gz SIGOMAFDLNDERN-AWEZNQCLSA-N 1 0 353.264 2.484 20 30 FEEDRO C[C@H]1C[NH+](C)C[C@H](C)N1C(=O)COc1cccc(Br)c1C#N ZINC000450245219 560255354 /nfs/dbraw/zinc/25/53/54/560255354.db2.gz XJMSZCFEOFPDJK-RYUDHWBXSA-N 1 0 366.259 2.251 20 30 FEEDRO C[NH+](C)CCOc1ccccc1CNc1nc2c(cc1C#N)COCC2 ZINC000450286649 560257059 /nfs/dbraw/zinc/25/70/59/560257059.db2.gz IMIIOVDXAVTVPJ-UHFFFAOYSA-N 1 0 352.438 2.578 20 30 FEEDRO C[C@@H]1[C@H](C)N(C(=O)COc2ccc(C#N)c(Br)c2)CC[N@H+]1C ZINC000450382322 560260788 /nfs/dbraw/zinc/26/07/88/560260788.db2.gz WBVCJAZGMBTFTA-NEPJUHHUSA-N 1 0 366.259 2.251 20 30 FEEDRO CN(CC[N@H+](C)C1CC1)C(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 ZINC000450704213 560270855 /nfs/dbraw/zinc/27/08/55/560270855.db2.gz UUHXNQPFROYKLX-AWEZNQCLSA-N 1 0 374.872 2.117 20 30 FEEDRO CC[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2ccc(CC#N)cc2Cl)C1 ZINC000451151044 560290020 /nfs/dbraw/zinc/29/00/20/560290020.db2.gz VEERVKWOTGLOLG-AWEZNQCLSA-N 1 0 355.891 2.416 20 30 FEEDRO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](CC(C)(C)C(N)=O)C1 ZINC000451214414 560293708 /nfs/dbraw/zinc/29/37/08/560293708.db2.gz WKJTXVIOSJVEOO-CLCXKQKWSA-N 1 0 350.507 2.043 20 30 FEEDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)Cc2ccc(F)cc2C#N)C[C@H]1C ZINC000451236051 560294956 /nfs/dbraw/zinc/29/49/56/560294956.db2.gz MKIDWSUKJZIZAP-CXAGYDPISA-N 1 0 353.463 2.332 20 30 FEEDRO CN(CC[N@H+](C)CCCC(C)(C)C#N)c1ccc(S(N)(=O)=O)cc1 ZINC000451266271 560297244 /nfs/dbraw/zinc/29/72/44/560297244.db2.gz FEBGQYZFUISGFJ-UHFFFAOYSA-N 1 0 352.504 2.032 20 30 FEEDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NS(=O)(=O)c1ccc(CC#N)cc1Cl ZINC000451322423 560300130 /nfs/dbraw/zinc/30/01/30/560300130.db2.gz UDKKYNCMQRNGNM-XHDPSFHLSA-N 1 0 353.875 2.167 20 30 FEEDRO C[C@@H]1CN(Cc2cc(C#N)ccc2Br)C[C@H](C)[N@H+]1CCO ZINC000451666270 560320750 /nfs/dbraw/zinc/32/07/50/560320750.db2.gz RKCKWKSNERHTEJ-BETUJISGSA-N 1 0 352.276 2.208 20 30 FEEDRO CC[C@@H]1CC[C@H](C)[N@H+](CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C1 ZINC000451954886 560340522 /nfs/dbraw/zinc/34/05/22/560340522.db2.gz OAFJSYMAMLQFMQ-GOEBONIOSA-N 1 0 359.474 2.014 20 30 FEEDRO CC(C)(C)Oc1ccc(NC(=O)C(=O)NCC[NH+]2CCCCC2)cc1C#N ZINC000453589800 560390079 /nfs/dbraw/zinc/39/00/79/560390079.db2.gz NQTCLKYNEIZTSJ-UHFFFAOYSA-N 1 0 372.469 2.276 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)Nc1ccc2c(n1)CCC2)C(C)C ZINC000453608039 560391044 /nfs/dbraw/zinc/39/10/44/560391044.db2.gz ZURAZIILWZKWTE-GOSISDBHSA-N 1 0 370.497 2.324 20 30 FEEDRO Cc1cc(C#N)cc(NC(=O)C(=O)NC[C@H](C2CCCCC2)[NH+](C)C)c1 ZINC000453613393 560391106 /nfs/dbraw/zinc/39/11/06/560391106.db2.gz UOYVENDXZQTQGX-GOSISDBHSA-N 1 0 356.470 2.432 20 30 FEEDRO CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccc(CC#N)cc2Cl)C1 ZINC000453615768 560391415 /nfs/dbraw/zinc/39/14/15/560391415.db2.gz GEKUVYAZFHUPCR-CQSZACIVSA-N 1 0 362.861 2.193 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(CC)c(OC)c2)CC1 ZINC000453634764 560392241 /nfs/dbraw/zinc/39/22/41/560392241.db2.gz BIOGIXHWMDDMJZ-UHFFFAOYSA-N 1 0 359.470 2.353 20 30 FEEDRO N#CCc1cccc(NC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)c1 ZINC000453704999 560398341 /nfs/dbraw/zinc/39/83/41/560398341.db2.gz GJSOULSUEPKYPW-GOSISDBHSA-N 1 0 354.454 2.168 20 30 FEEDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)C(=O)Nc1ccc(CC#N)cc1Cl ZINC000453756006 560401942 /nfs/dbraw/zinc/40/19/42/560401942.db2.gz XTFXFGLOLPSFIO-HIFRSBDPSA-N 1 0 374.872 2.430 20 30 FEEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000453923802 560413536 /nfs/dbraw/zinc/41/35/36/560413536.db2.gz XFLCHTAEXCFYHN-OFQRWUPVSA-N 1 0 372.494 2.039 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1NC(=O)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000453948632 560415816 /nfs/dbraw/zinc/41/58/16/560415816.db2.gz SUHIXRBKIGTVBX-MOPGFXCFSA-N 1 0 371.481 2.113 20 30 FEEDRO CC(C)(C[NH+]1CCCC1)NC(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000455136991 560471264 /nfs/dbraw/zinc/47/12/64/560471264.db2.gz ICJIQKBQCYYABE-UHFFFAOYSA-N 1 0 353.430 2.135 20 30 FEEDRO C=CCN1CC[C@H](N(C)C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)C1=O ZINC000455835245 560496891 /nfs/dbraw/zinc/49/68/91/560496891.db2.gz AAHUDBFSGABQNP-MSOLQXFVSA-N 1 0 356.470 2.486 20 30 FEEDRO Cc1cc(C(=O)Nc2ccc(N3CC[C@H]([NH+](C)C)C3)cn2)ncc1C#N ZINC000457655537 560580033 /nfs/dbraw/zinc/58/00/33/560580033.db2.gz COWGHLRSCQDMNZ-INIZCTEOSA-N 1 0 350.426 2.049 20 30 FEEDRO C=CCC1(NC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CCCCC1 ZINC000458450908 560624112 /nfs/dbraw/zinc/62/41/12/560624112.db2.gz ZSSICPROLMKUDR-MRXNPFEDSA-N 1 0 350.507 2.152 20 30 FEEDRO C[C@H]1C[N@@H+](C2CCN(C(=O)NCc3ccc(C#N)c(F)c3)CC2)CCO1 ZINC000459103977 560667000 /nfs/dbraw/zinc/66/70/00/560667000.db2.gz BMKVURODXAEXTA-AWEZNQCLSA-N 1 0 360.433 2.092 20 30 FEEDRO CO[C@H]([C@@H](C)NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)C1CC1 ZINC000459211047 560674354 /nfs/dbraw/zinc/67/43/54/560674354.db2.gz WVVLJPAQSQVTRG-DNVCBOLYSA-N 1 0 358.486 2.445 20 30 FEEDRO C=CCOc1ccc(CN(Cc2cn(CC(N)=O)nn2)C(C)(C)C)cc1 ZINC000459307262 560678855 /nfs/dbraw/zinc/67/88/55/560678855.db2.gz NWDBLWBAKIIOJK-UHFFFAOYSA-N 1 0 357.458 2.129 20 30 FEEDRO CCN(CCC#N)C(=O)C[N@@H+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459670655 560701349 /nfs/dbraw/zinc/70/13/49/560701349.db2.gz VJHVFXFVHGJXIY-CQSZACIVSA-N 1 0 361.408 2.430 20 30 FEEDRO CC1=CC[N@H+](CCNC(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)CC1 ZINC000460231894 560738666 /nfs/dbraw/zinc/73/86/66/560738666.db2.gz OIBMZBUGRKYRMF-FQEVSTJZSA-N 1 0 367.497 2.058 20 30 FEEDRO N#Cc1ccc([C@H]([NH2+]C[C@@H]2CCN(c3ccccc3F)C2)C(N)=O)cc1 ZINC000461061328 560760579 /nfs/dbraw/zinc/76/05/79/560760579.db2.gz GEGYABJRROEWPH-KXBFYZLASA-N 1 0 352.413 2.340 20 30 FEEDRO C[N@H+](CCc1cccc(NC(=O)C(=O)N[C@H]2CCC[C@H]2C#N)c1)C1CC1 ZINC000461775557 560782901 /nfs/dbraw/zinc/78/29/01/560782901.db2.gz LAQZSPRDMULBIS-YJBOKZPZSA-N 1 0 354.454 2.070 20 30 FEEDRO CC[NH+]1CCN(Cc2ccc(CNC(=O)N[C@@H]3CCC[C@@H]3C#N)cc2)CC1 ZINC000461943027 560789067 /nfs/dbraw/zinc/78/90/67/560789067.db2.gz VNDIKJHULVAGLX-WOJBJXKFSA-N 1 0 369.513 2.316 20 30 FEEDRO C[C@H](C(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1)c1cccc(C#N)c1 ZINC000462270477 560803805 /nfs/dbraw/zinc/80/38/05/560803805.db2.gz OCTCGEAOJXKMKQ-ABSDTBQOSA-N 1 0 354.498 2.146 20 30 FEEDRO COc1cc(C#N)ccc1S(=O)(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000463696984 560821831 /nfs/dbraw/zinc/82/18/31/560821831.db2.gz PLUYHTLUCAEXLM-QGZVFWFLSA-N 1 0 373.478 2.018 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCC[C@H](C(=O)OC)C1)C(C)C ZINC000465551404 560868018 /nfs/dbraw/zinc/86/80/18/560868018.db2.gz WLXDGNDTESACNJ-IRXDYDNUSA-N 1 0 351.491 2.280 20 30 FEEDRO CCOc1ccc(N(CCC#N)C(=O)CN(C)[C@@H](C)C[S@](C)=O)cc1 ZINC000467193548 560906187 /nfs/dbraw/zinc/90/61/87/560906187.db2.gz CCZQJUFHUDNMEH-MQNRADLISA-N 1 0 365.499 2.031 20 30 FEEDRO C[C@H]1C[N@H+](CCCNC(=O)CSCc2ccc(C#N)cc2)CCCO1 ZINC000470062123 560973271 /nfs/dbraw/zinc/97/32/71/560973271.db2.gz MPZZYTLPWZQYQO-INIZCTEOSA-N 1 0 361.511 2.409 20 30 FEEDRO C=CCOc1cc(OC)ccc1C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000470100785 560974365 /nfs/dbraw/zinc/97/43/65/560974365.db2.gz PLWLKOQAIFOWKQ-INIZCTEOSA-N 1 0 362.470 2.491 20 30 FEEDRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)[C@H](C)Oc2ccccc2C#N)C1 ZINC000471569354 561007444 /nfs/dbraw/zinc/00/74/44/561007444.db2.gz GQCLIZIEIRVRDC-WMZOPIPTSA-N 1 0 359.470 2.285 20 30 FEEDRO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCSC[C@@H]1CC(=O)OC ZINC000476572429 561123055 /nfs/dbraw/zinc/12/30/55/561123055.db2.gz QFCCBZZFPCLOQQ-IRXDYDNUSA-N 1 0 365.495 2.135 20 30 FEEDRO C[C@H](O)C[N@@H+]1CCN(C(=O)c2cn(CCCC#N)c3ccccc23)[C@H](C)C1 ZINC000476850723 561130111 /nfs/dbraw/zinc/13/01/11/561130111.db2.gz KBTQVJBMMZHIRC-SJORKVTESA-N 1 0 368.481 2.472 20 30 FEEDRO N#Cc1ccccc1OC[C@H](O)CN1CC[NH+](CC2CCCCC2)CC1 ZINC000528361054 562324958 /nfs/dbraw/zinc/32/49/58/562324958.db2.gz SIKZRSIDXCMNCW-HXUWFJFHSA-N 1 0 357.498 2.496 20 30 FEEDRO Cc1noc(C2(C)CC[NH+](C[C@H](O)COc3ccccc3C#N)CC2)n1 ZINC000528444931 562329669 /nfs/dbraw/zinc/32/96/69/562329669.db2.gz ZNEVUALYVFBGGA-INIZCTEOSA-N 1 0 356.426 2.043 20 30 FEEDRO C[N@@H+]1CCN(C[C@@H](O)COc2ccccc2C#N)[C@@H](Cc2ccccc2)C1 ZINC000528535417 562334777 /nfs/dbraw/zinc/33/47/77/562334777.db2.gz UYIOOQDMRWLBDQ-LEWJYISDSA-N 1 0 365.477 2.157 20 30 FEEDRO COCCc1noc(CC2CC[NH+](CCOc3cccc(C#N)c3)CC2)n1 ZINC000528621617 562338614 /nfs/dbraw/zinc/33/86/14/562338614.db2.gz VZVAQYXDFHRYTB-UHFFFAOYSA-N 1 0 370.453 2.464 20 30 FEEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)NC2(C[NH3+])CCOCC2)cc1 ZINC000528678506 562341366 /nfs/dbraw/zinc/34/13/66/562341366.db2.gz WGJUUBNHBKXNNK-UHFFFAOYSA-N 1 0 372.469 2.130 20 30 FEEDRO N#Cc1cc(NC(=O)NC2(C[NH3+])CCOCC2)ccc1OC(F)(F)F ZINC000528686829 562341913 /nfs/dbraw/zinc/34/19/13/562341913.db2.gz DIIHFQISYOGGPU-UHFFFAOYSA-N 1 0 358.320 2.086 20 30 FEEDRO CC1(N2CCOCC2)CC[NH+](CCC(=O)Nc2cccc(C#N)c2)CC1 ZINC000528729664 562344528 /nfs/dbraw/zinc/34/45/28/562344528.db2.gz VEJSMBSZVOSWED-UHFFFAOYSA-N 1 0 356.470 2.074 20 30 FEEDRO C[C@@H]1C[NH+](CCC2CCN(C(=O)Cc3ccc(C#N)nc3)CC2)C[C@@H](C)O1 ZINC000528799740 562348540 /nfs/dbraw/zinc/34/85/40/562348540.db2.gz QJLVROWJOINECZ-IAGOWNOFSA-N 1 0 370.497 2.234 20 30 FEEDRO COCc1ccc(NC(=O)N2C[C@@H](OC)C[C@H]2C[NH+]2CCCC2)cc1C#N ZINC000529207042 562364752 /nfs/dbraw/zinc/36/47/52/562364752.db2.gz RHHKHCUQIIOVHW-OALUTQOASA-N 1 0 372.469 2.422 20 30 FEEDRO CC[C@H]1CN(C(=O)Nc2ccc(COC)c(C#N)c2)CC[N@@H+]1C[C@H](C)O ZINC000529213591 562365226 /nfs/dbraw/zinc/36/52/26/562365226.db2.gz SJOMHLXDTLHQOT-KSSFIOAISA-N 1 0 360.458 2.014 20 30 FEEDRO COCc1ccc(NC(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)cc1C#N ZINC000529218751 562365367 /nfs/dbraw/zinc/36/53/67/562365367.db2.gz XSOQZYGJOFHXJR-HNNXBMFYSA-N 1 0 372.469 2.327 20 30 FEEDRO N#CCc1ccc(CNC(=O)N2CCC(CO[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000529344545 562370156 /nfs/dbraw/zinc/37/01/56/562370156.db2.gz RMYBFHUXMYUJEW-IBGZPJMESA-N 1 0 356.470 2.053 20 30 FEEDRO CC1([NH+]2CCOCC2)CCN(C(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)CC1 ZINC000529909095 562390757 /nfs/dbraw/zinc/39/07/57/562390757.db2.gz LNCPWFNVCSKKBW-RBUKOAKNSA-N 1 0 353.466 2.375 20 30 FEEDRO C[NH+]1CCC(O)(CNC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)CC1 ZINC000531336025 562442439 /nfs/dbraw/zinc/44/24/39/562442439.db2.gz PCHAPOOYIUQKBT-UHFFFAOYSA-N 1 0 364.449 2.488 20 30 FEEDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NS(=O)(=O)c1ccc(C#N)cc1F ZINC000532108382 562467150 /nfs/dbraw/zinc/46/71/50/562467150.db2.gz OVWRRRGQJCDLPV-MCIONIFRSA-N 1 0 353.463 2.342 20 30 FEEDRO C[C@]1(c2ccc(C[NH2+]Cc3ccc(C#N)cc3F)cc2)NC(=O)NC1=O ZINC000533449485 562509057 /nfs/dbraw/zinc/50/90/57/562509057.db2.gz ZXXSTSMFZIEGNU-LJQANCHMSA-N 1 0 352.369 2.042 20 30 FEEDRO CC(C)n1ncc2cc(C[N@H+](C)CCCc3[nH]nc(N)c3C#N)cnc21 ZINC000534098380 562525271 /nfs/dbraw/zinc/52/52/71/562525271.db2.gz MOOULWPZYBNYRK-UHFFFAOYSA-N 1 0 352.446 2.254 20 30 FEEDRO C=C(C)[C@H](CC(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1)OCC ZINC000534427235 562534104 /nfs/dbraw/zinc/53/41/04/562534104.db2.gz FORHSXIUQAZYBO-PMACEKPBSA-N 1 0 359.514 2.463 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)CCc2cccc(OC)c2OC)c1C#N ZINC000535510636 562560186 /nfs/dbraw/zinc/56/01/86/562560186.db2.gz LLRNZMNQVSLAIO-UHFFFAOYSA-N 1 0 371.441 2.022 20 30 FEEDRO C=C(C)COc1cc(C[NH+]2CCC([C@@H](O)C(=O)OC)CC2)ccc1OC ZINC000535814890 562568803 /nfs/dbraw/zinc/56/88/03/562568803.db2.gz LDJKVWPNGDHKDS-LJQANCHMSA-N 1 0 363.454 2.396 20 30 FEEDRO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(-n2ccnn2)cc1 ZINC000537127564 562586193 /nfs/dbraw/zinc/58/61/93/562586193.db2.gz VSSYOZIMFUDORX-YZVOILCLSA-N 1 0 354.458 2.361 20 30 FEEDRO C[NH+](C)CCOCCNC(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000540845804 562594247 /nfs/dbraw/zinc/59/42/47/562594247.db2.gz LNKJMQTUVKKQPQ-UHFFFAOYSA-N 1 0 357.410 2.038 20 30 FEEDRO CN(CCC(=O)N1CCN([C@H](C#N)c2ccccc2)CC1)c1cc[nH+]cc1 ZINC000540928851 562597313 /nfs/dbraw/zinc/59/73/13/562597313.db2.gz BUGGVQGYNYJVSG-HXUWFJFHSA-N 1 0 363.465 2.317 20 30 FEEDRO C[C@H](C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)[NH+]1CCCCCC1 ZINC000540956593 562598278 /nfs/dbraw/zinc/59/82/78/562598278.db2.gz OIVMHGXPLILFES-VQIMIIECSA-N 1 0 368.481 2.434 20 30 FEEDRO COc1cc(C#N)ccc1NC(=O)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000546002920 562632580 /nfs/dbraw/zinc/63/25/80/562632580.db2.gz FQJPWZVUVNLCKY-UHFFFAOYSA-N 1 0 370.453 2.029 20 30 FEEDRO N#C[C@H](c1ccccc1)N1CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC000602044647 567911377 /nfs/dbraw/zinc/91/13/77/567911377.db2.gz XRKBMKUOURTRAU-LJQANCHMSA-N 1 0 352.482 2.271 20 30 FEEDRO N#CCCN1CCN(C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)CC1 ZINC000602224617 567957187 /nfs/dbraw/zinc/95/71/87/567957187.db2.gz LXUOXYNAQYBWAB-QGZVFWFLSA-N 1 0 359.474 2.047 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@](C)(CO)Cc2ccccc2F)CC1 ZINC000636741712 567997122 /nfs/dbraw/zinc/99/71/22/567997122.db2.gz IESBZTXKCPQQFZ-HXUWFJFHSA-N 1 0 363.477 2.459 20 30 FEEDRO Cc1ccc(Cl)c(OC[C@H](O)C[NH+]2C[C@@H](C)N(CC#N)[C@H](C)C2)c1 ZINC000602853888 568001854 /nfs/dbraw/zinc/00/18/54/568001854.db2.gz MOYFUOUTIYWMIY-BZUAXINKSA-N 1 0 351.878 2.306 20 30 FEEDRO COC(=O)[C@@]1(C)C[N@@H+]([C@H](C)C(=O)N(CCC#N)c2ccccc2)C[C@@H]1C ZINC000602933084 568020070 /nfs/dbraw/zinc/02/00/70/568020070.db2.gz ZRCQMIIJUPGZHT-YRNRMSPPSA-N 1 0 357.454 2.453 20 30 FEEDRO CN(CC(=O)NCC1(c2ccccc2)CCOCC1)[C@H]1CCC[C@H]1C#N ZINC000602975423 568035876 /nfs/dbraw/zinc/03/58/76/568035876.db2.gz ASVPGJIRQZHVMQ-HKUYNNGSSA-N 1 0 355.482 2.475 20 30 FEEDRO C[C@@H]1C[NH+](Cc2ccc(OCc3nccn3C)cc2)C[C@@H](C)N1CC#N ZINC000602863178 568050172 /nfs/dbraw/zinc/05/01/72/568050172.db2.gz OZEVKSVMIOUMIG-IAGOWNOFSA-N 1 0 353.470 2.417 20 30 FEEDRO Cc1cc(Cl)c2c(c1)c(=O)c(C#N)cn2Cc1nc(C(C)(C)[NH3+])no1 ZINC000568507319 568051679 /nfs/dbraw/zinc/05/16/79/568051679.db2.gz RICHQDKYNOUZFM-UHFFFAOYSA-N 1 0 357.801 2.460 20 30 FEEDRO N#Cc1ccc(C[C@@H](C#N)C(=O)N2CCCN(c3cc[nH+]cc3)CC2)cc1 ZINC000603083946 568058946 /nfs/dbraw/zinc/05/89/46/568058946.db2.gz PWODWHYVQWFDLM-IBGZPJMESA-N 1 0 359.433 2.374 20 30 FEEDRO C[C@H](C(=O)N(CCC#N)c1ccccc1)n1cc(C[C@H]2CCC[NH2+]C2)nn1 ZINC000603181473 568074045 /nfs/dbraw/zinc/07/40/45/568074045.db2.gz XSPQMJDNLUVPKH-IAGOWNOFSA-N 1 0 366.469 2.328 20 30 FEEDRO C[NH+]1CCC(C#N)(NC(=O)c2ccc(OCc3cccnc3)cc2)CC1 ZINC000603886339 568177040 /nfs/dbraw/zinc/17/70/40/568177040.db2.gz ZAKIXBGVHZSUFN-UHFFFAOYSA-N 1 0 350.422 2.378 20 30 FEEDRO C[C@@H](CNC(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1)[NH+]1CCC(C)CC1 ZINC000569060581 568295639 /nfs/dbraw/zinc/29/56/39/568295639.db2.gz OAKKSPMVTRECGR-WMZOPIPTSA-N 1 0 371.485 2.236 20 30 FEEDRO Cc1ccccc1C1(C[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)CC1 ZINC000569686555 568411841 /nfs/dbraw/zinc/41/18/41/568411841.db2.gz QCOYNCBMSMMHHU-UHFFFAOYSA-N 1 0 355.463 2.357 20 30 FEEDRO COc1cccc(O[C@H](C)C[NH2+]C[C@H](O)COc2ccc(C#N)cc2)c1 ZINC000570795463 568531103 /nfs/dbraw/zinc/53/11/03/568531103.db2.gz ULYVKVZYVRGAAF-WBVHZDCISA-N 1 0 356.422 2.364 20 30 FEEDRO C=CCSCCNC(=O)C(=O)NCC[NH+]1CCC2(CCCCC2)CC1 ZINC000557016827 674432775 /nfs/dbraw/zinc/43/27/75/674432775.db2.gz MKPGZNTUKNLQTJ-UHFFFAOYSA-N 1 0 367.559 2.184 20 30 FEEDRO C#C[C@H](NC(=O)CCN1CCN(C(=O)OC(C)(C)C)CC1)C(C)(C)C ZINC000807878685 674433013 /nfs/dbraw/zinc/43/30/13/674433013.db2.gz YPIJOJHDPAVOTB-HNNXBMFYSA-N 1 0 351.491 2.093 20 30 FEEDRO N#Cc1ccnc(N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2CO)c1Cl ZINC000557625273 674458043 /nfs/dbraw/zinc/45/80/43/674458043.db2.gz LFWMIIVJKSFAGI-DLBZAZTESA-N 1 0 356.857 2.902 20 30 FEEDRO C=CCN(C(=O)C(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C)C(C)C ZINC000808716978 674469577 /nfs/dbraw/zinc/46/95/77/674469577.db2.gz AWNLYNLGBHQMAI-MRXNPFEDSA-N 1 0 351.878 2.482 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1c(Br)nnn1C)C(C)C ZINC000810087132 674530740 /nfs/dbraw/zinc/53/07/40/674530740.db2.gz PEVAFFIOJFOQRZ-LBPRGKRZSA-N 1 0 370.295 2.006 20 30 FEEDRO COc1cc(CNC(=O)c2cscc2C#N)ccc1OCC[NH+](C)C ZINC000559386417 674540972 /nfs/dbraw/zinc/54/09/72/674540972.db2.gz KSVHWJUNOBMGEZ-UHFFFAOYSA-N 1 0 359.451 2.499 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccc(-c3nn[nH]n3)cc2Cl)CC1 ZINC000819750236 607194675 /nfs/dbraw/zinc/19/46/75/607194675.db2.gz ASMXWAUMKSNWSI-UHFFFAOYSA-N 1 0 361.837 2.292 20 30 FEEDRO C[NH+]1CCN(c2ccc(C=[NH+][N-]c3cccc(-c4nn[nH]n4)c3)cc2)CC1 ZINC000826038623 608218243 /nfs/dbraw/zinc/21/82/43/608218243.db2.gz RRQCAAQHUNSYIZ-UHFFFAOYSA-N 1 0 362.441 2.065 20 30 FEEDRO C[C@H]([NH2+]CC(=O)Nc1sccc1-c1nn[nH]n1)c1ccc(C#N)cc1 ZINC000824562788 608465075 /nfs/dbraw/zinc/46/50/75/608465075.db2.gz IMKZXOLRRHQPRN-JTQLQIEISA-N 1 0 353.411 2.089 20 30 FEEDRO N#Cc1cccc(C[NH2+][C@@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)c1 ZINC000826386488 609413702 /nfs/dbraw/zinc/41/37/02/609413702.db2.gz HFWCWAPERHINGP-GOSISDBHSA-N 1 0 373.420 2.024 20 30 FEEDRO C=CCN(CC1CCCCC1)C(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000559867971 674558954 /nfs/dbraw/zinc/55/89/54/674558954.db2.gz MJRBSSQKOMBYGI-LJQANCHMSA-N 1 0 367.559 2.135 20 30 FEEDRO C#C[C@H](NC(=O)N[C@H](C)CC[NH+]1CCN(C)CC1)c1ccc(Cl)cc1 ZINC000811904772 674637820 /nfs/dbraw/zinc/63/78/20/674637820.db2.gz MRHZIIUNXVPWTR-QAPCUYQASA-N 1 0 362.905 2.340 20 30 FEEDRO CC(C)(O)C[NH+]1CCC(N=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000814212027 674826652 /nfs/dbraw/zinc/82/66/52/674826652.db2.gz BDJVALQVMXUQNS-UHFFFAOYSA-N 1 0 351.363 2.138 20 30 FEEDRO C=CCS(=O)(=O)CC[NH2+][C@@H]1CCc2cccc(Br)c2C1 ZINC000815134875 674922484 /nfs/dbraw/zinc/92/24/84/674922484.db2.gz KVIIQMLTPFGJRO-CYBMUJFWSA-N 1 0 358.301 2.497 20 30 FEEDRO C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1cc(Cl)ccc1OCCC ZINC000815860486 674979065 /nfs/dbraw/zinc/97/90/65/674979065.db2.gz NSKHYQZMFWRXJC-UHFFFAOYSA-N 1 0 365.861 2.139 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[C@H](C[NH2+]Cc2nncs2)CC1 ZINC001048616328 675012259 /nfs/dbraw/zinc/01/22/59/675012259.db2.gz KIFSNBDNYXLFMZ-FPCVCCKLSA-N 1 0 364.515 2.141 20 30 FEEDRO C=CCn1c(Cc2csc(NC(=O)C[N@@H+](C)C(C)C)n2)n[nH]c1=S ZINC000063466246 670407553 /nfs/dbraw/zinc/40/75/53/670407553.db2.gz ZMSFVYDGQKURCD-UHFFFAOYSA-N 1 0 366.516 2.453 20 30 FEEDRO C[NH+]=C(NCc1cc(Cl)c2c(c1)OCCCO2)NC[C@H]1CCCO1 ZINC000072733715 670497503 /nfs/dbraw/zinc/49/75/03/670497503.db2.gz XDUGRHXXNMJQOY-CYBMUJFWSA-N 1 0 353.850 2.345 20 30 FEEDRO C[NH+]=C(NCCc1cc(Br)ccc1F)NC[C@@H]1CCCO1 ZINC000072756877 670497697 /nfs/dbraw/zinc/49/76/97/670497697.db2.gz INEUCEHLARMEOL-ZDUSSCGKSA-N 1 0 358.255 2.475 20 30 FEEDRO CN(CC#N)Cn1nc(CN2CCCC2)n(Cc2ccccc2)c1=S ZINC000101536586 670767419 /nfs/dbraw/zinc/76/74/19/670767419.db2.gz ZTCRDQACOZKPBL-UHFFFAOYSA-N 1 0 356.499 2.471 20 30 FEEDRO COc1cc(CNC(=[NH2+])N2CCSCC2)cc(Br)c1OC ZINC000104190721 670791036 /nfs/dbraw/zinc/79/10/36/670791036.db2.gz UPXFYDAEBRXQJK-UHFFFAOYSA-N 1 0 374.304 2.330 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)NC[C@@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000111641774 670859725 /nfs/dbraw/zinc/85/97/25/670859725.db2.gz MBBMLOWWAHUELS-MRXNPFEDSA-N 1 0 355.265 2.488 20 30 FEEDRO CC(=O)NCC[N@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])C1CCSCC1 ZINC000571526331 670886520 /nfs/dbraw/zinc/88/65/20/670886520.db2.gz CJVPGRXKZARXAM-UHFFFAOYSA-N 1 0 362.455 2.300 20 30 FEEDRO CCC[N@H+](CC)C[C@H](C)NC(=O)C(=O)Nc1ccc(C#N)cc1Cl ZINC000572806672 671046196 /nfs/dbraw/zinc/04/61/96/671046196.db2.gz RXJPLGCDJLOOAG-LBPRGKRZSA-N 1 0 350.850 2.387 20 30 FEEDRO C=CCSCCNC(=O)C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000573026499 671072713 /nfs/dbraw/zinc/07/27/13/671072713.db2.gz IVNAFSVHWCWFBO-UHFFFAOYSA-N 1 0 367.559 2.327 20 30 FEEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1 ZINC000573528618 671133498 /nfs/dbraw/zinc/13/34/98/671133498.db2.gz DEJIWLMTXPVVDH-VBNZEHGJSA-N 1 0 364.877 2.075 20 30 FEEDRO Cc1cc(Br)cc(C)c1C[NH2+]C[C@H](O)CN(C)CCC#N ZINC000566109009 675181667 /nfs/dbraw/zinc/18/16/67/675181667.db2.gz JTOFUZNAPRKYQV-HNNXBMFYSA-N 1 0 354.292 2.362 20 30 FEEDRO C=CCN1C(=S)N=NC1c1sc(NC(=O)[C@H]([NH3+])C2CCC2)nc1C ZINC000817912304 675186064 /nfs/dbraw/zinc/18/60/64/675186064.db2.gz ORRYBHCCCMHRNH-SNVBAGLBSA-N 1 0 364.500 2.251 20 30 FEEDRO CC(C)[C@H]([NH2+]C[C@H](O)COc1ccc(CC#N)cc1)[C@H](O)C(F)(F)F ZINC000577850980 671624193 /nfs/dbraw/zinc/62/41/93/671624193.db2.gz WKBDJBUHQDGETG-BPUTZDHNSA-N 1 0 360.376 2.030 20 30 FEEDRO CN(CCC#N)C[C@@H](O)C[NH2+][C@@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000578981657 671703433 /nfs/dbraw/zinc/70/34/33/671703433.db2.gz RLIVZCCZPPOOOP-CABCVRRESA-N 1 0 371.312 2.368 20 30 FEEDRO C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2scc(C(C)(C)C)c2C#N)C1 ZINC000579218144 671719977 /nfs/dbraw/zinc/71/99/77/671719977.db2.gz PTCGAOJRAIHBJE-LBPRGKRZSA-N 1 0 362.499 2.266 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)Nc1cnc(N2CC[NH2+]CC2)nc1 ZINC000580410543 671804829 /nfs/dbraw/zinc/80/48/29/671804829.db2.gz SSQXDECDUQALNZ-UHFFFAOYSA-N 1 0 358.471 2.168 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2CCC([NH+]3CCCCC3)CC2)c(F)c1 ZINC000610083384 675952206 /nfs/dbraw/zinc/95/22/06/675952206.db2.gz AZQKZKMDEXHIQK-UHFFFAOYSA-N 1 0 351.447 2.336 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+]C[C@@H]2CCC3(CCCCC3)O2)nc1 ZINC000582117953 671969753 /nfs/dbraw/zinc/96/97/53/671969753.db2.gz QBTIZWAUEGHXLX-INIZCTEOSA-N 1 0 363.483 2.198 20 30 FEEDRO CC[C@H](CNS(=O)(=O)CC1(C#N)CCC1)[N@@H+]1CCc2ccccc2C1 ZINC000582454069 672002916 /nfs/dbraw/zinc/00/29/16/672002916.db2.gz LQQKPGPJFNBGCS-GOSISDBHSA-N 1 0 361.511 2.437 20 30 FEEDRO CC[NH+](CC)CC1CCN(S(=O)(=O)c2ccc(C#N)cc2F)CC1 ZINC000610338740 675967158 /nfs/dbraw/zinc/96/71/58/675967158.db2.gz QUDMUECQOXSBBR-UHFFFAOYSA-N 1 0 353.463 2.440 20 30 FEEDRO CC[NH+]=C(NCC1CCN(C(C)=O)CC1)N[C@@H]1CCC[C@H](SC)C1 ZINC000130646193 672078105 /nfs/dbraw/zinc/07/81/05/672078105.db2.gz QYNOWFGOSDICTC-SJORKVTESA-N 1 0 354.564 2.474 20 30 FEEDRO CC(C)CNS(=O)(=O)c1ccc(CNC(=[NH2+])N2CCC[C@@H](C)C2)cc1 ZINC000134240152 672121206 /nfs/dbraw/zinc/12/12/06/672121206.db2.gz DLJNYZUEDCLWRA-OAHLLOKOSA-N 1 0 366.531 2.168 20 30 FEEDRO CC(C)(C)OC(=O)N1CCN(C(=[NH2+])NCc2nc(C3CC3)cs2)CC1 ZINC000153212758 672195060 /nfs/dbraw/zinc/19/50/60/672195060.db2.gz XDLYOMAIRXRQQG-UHFFFAOYSA-N 1 0 365.503 2.388 20 30 FEEDRO N#Cc1ccsc1NC(=O)CC[N@H+]1CCOC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000585800958 672236307 /nfs/dbraw/zinc/23/63/07/672236307.db2.gz YVWRZYPUNXVWLQ-BZUAXINKSA-N 1 0 363.483 2.200 20 30 FEEDRO C[C@H](CNC(=[NH2+])Nc1ccccc1OC(F)(F)F)CN1CCOCC1 ZINC000160723590 672293223 /nfs/dbraw/zinc/29/32/23/672293223.db2.gz YKJWXPJRQOGEOX-GFCCVEGCSA-N 1 0 360.380 2.280 20 30 FEEDRO CC[NH+]=C(NCC1CCN(S(C)(=O)=O)CC1)N[C@@H]1CCC[C@@H](CC)C1 ZINC000166779868 672319696 /nfs/dbraw/zinc/31/96/96/672319696.db2.gz IIRPYNGXVUSYAV-NVXWUHKLSA-N 1 0 372.579 2.182 20 30 FEEDRO C#CCOc1ccc(Br)cc1C[NH2+]C[C@@]1(O)CCSC1 ZINC000176749835 672376637 /nfs/dbraw/zinc/37/66/37/672376637.db2.gz ROHHXQKCRMSOBQ-HNNXBMFYSA-N 1 0 356.285 2.419 20 30 FEEDRO CCc1cccc(NC(=[NH2+])NCC2CCN(S(=O)(=O)C(F)F)CC2)c1 ZINC000178576322 672392603 /nfs/dbraw/zinc/39/26/03/672392603.db2.gz YYAUPJROCQOCOZ-UHFFFAOYSA-N 1 0 374.457 2.240 20 30 FEEDRO CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)CCCCCC#N)CC1 ZINC000588639050 672467543 /nfs/dbraw/zinc/46/75/43/672467543.db2.gz YMAPPRLBJXOZRC-UHFFFAOYSA-N 1 0 350.507 2.203 20 30 FEEDRO CC(C)[NH+]=C(NCC(=O)N(C)C)N1CC[C@H](Oc2ccccc2Cl)C1 ZINC000185546407 672529228 /nfs/dbraw/zinc/52/92/28/672529228.db2.gz FCHJRVFJUAVCGF-AWEZNQCLSA-N 1 0 366.893 2.235 20 30 FEEDRO N#Cc1ccccc1CSCCNC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000591337589 672673206 /nfs/dbraw/zinc/67/32/06/672673206.db2.gz FHFBSNWBAFAEPC-CALCHBBNSA-N 1 0 358.511 2.432 20 30 FEEDRO N#CCN1CCC([NH2+]C[C@H](O)COc2cccc(C(F)(F)F)c2)CC1 ZINC000591736358 672706583 /nfs/dbraw/zinc/70/65/83/672706583.db2.gz PPUJBHFEZAAEIP-HNNXBMFYSA-N 1 0 357.376 2.023 20 30 FEEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+]CCc2ccc3c(c2)CCO3)c1 ZINC000591739137 672706719 /nfs/dbraw/zinc/70/67/19/672706719.db2.gz KDKWSMINVLFQJL-UHFFFAOYSA-N 1 0 356.447 2.099 20 30 FEEDRO C[NH+]=C(NC[C@@H]1CCC[C@H](C(F)(F)F)C1)NC[C@]1(O)CCSC1 ZINC000261699415 672901785 /nfs/dbraw/zinc/90/17/85/672901785.db2.gz JCIFFZVHEBZCGI-MBNYWOFBSA-N 1 0 353.454 2.388 20 30 FEEDRO CCC[C@@]1(C)CCCN(C(NCc2ccc(S(N)(=O)=O)s2)=[NH+]C)C1 ZINC000261915638 672904998 /nfs/dbraw/zinc/90/49/98/672904998.db2.gz JVYRPEMXKFOGMP-INIZCTEOSA-N 1 0 372.560 2.373 20 30 FEEDRO C[NH+]=C(NC[C@@H](C)Sc1ccccc1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261953239 672905930 /nfs/dbraw/zinc/90/59/30/672905930.db2.gz HZSXYRIDXVTETH-CQSZACIVSA-N 1 0 369.556 2.252 20 30 FEEDRO C[NH+]=C(NC[C@H]1CCCS1)NCC1(N2CCOCC2)CCCCC1 ZINC000261959863 672906191 /nfs/dbraw/zinc/90/61/91/672906191.db2.gz JVJRFUDDPBUWNQ-MRXNPFEDSA-N 1 0 354.564 2.082 20 30 FEEDRO Cc1nnc(CNC(=[NH+]C2CC2)N2CCSC3(CCCCC3)C2)n1C ZINC000262024148 672907932 /nfs/dbraw/zinc/90/79/32/672907932.db2.gz ZHGYVKHIPOSETB-UHFFFAOYSA-N 1 0 362.547 2.483 20 30 FEEDRO C=CCNC(NC[C@@H]1CCS(=O)(=O)C1)=[NH+][C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000262366549 672914393 /nfs/dbraw/zinc/91/43/93/672914393.db2.gz HUXMHTLTMTUUAH-MWDXBVQZSA-N 1 0 353.532 2.111 20 30 FEEDRO CC(C)C[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N1C[C@H](C)CC(C)(C)C1 ZINC000262448778 672915886 /nfs/dbraw/zinc/91/58/86/672915886.db2.gz VRFDBYCGWOATLK-CVEARBPZSA-N 1 0 357.564 2.391 20 30 FEEDRO C[NH+](C)C[C@@H]1CCCN1C(=O)Cc1ccc(Br)cc1C#N ZINC000593447785 672924693 /nfs/dbraw/zinc/92/46/93/672924693.db2.gz FBGRAIILNZYESQ-HNNXBMFYSA-N 1 0 350.260 2.416 20 30 FEEDRO CS(=O)(=O)c1ccccc1CNC(=[NH2+])N[C@H]1CCOc2ccccc21 ZINC000263111145 672928207 /nfs/dbraw/zinc/92/82/07/672928207.db2.gz LBXFVQIQLPZXEO-HNNXBMFYSA-N 1 0 359.451 2.018 20 30 FEEDRO C[C@@H](C#N)CNC(=O)C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000593584495 672951242 /nfs/dbraw/zinc/95/12/42/672951242.db2.gz OZLCWMSGDBRMRS-AWEZNQCLSA-N 1 0 360.483 2.089 20 30 FEEDRO CC[C@H](C)NC(=[NH2+])NCCCNC(=O)c1cccc(Br)c1 ZINC000303378512 673017157 /nfs/dbraw/zinc/01/71/57/673017157.db2.gz PWPKGPNGWSURJJ-NSHDSACASA-N 1 0 355.280 2.272 20 30 FEEDRO Cc1cc(Cl)ccc1OCCCNC(=[NH2+])NCCCN1CCOCC1 ZINC000303905723 673019334 /nfs/dbraw/zinc/01/93/34/673019334.db2.gz ZNENOWBDOCUXRZ-UHFFFAOYSA-N 1 0 368.909 2.044 20 30 FEEDRO CCN(CC)S(=O)(=O)c1ccc(CCNC(=[NH2+])N2CCCCC2)s1 ZINC000303988898 673019826 /nfs/dbraw/zinc/01/98/26/673019826.db2.gz WXVKUVTXHOMKNY-UHFFFAOYSA-N 1 0 372.560 2.122 20 30 FEEDRO COc1ccc(CCNC(=[NH2+])NCCc2sc(C)nc2C)cc1OC ZINC000304743906 673020177 /nfs/dbraw/zinc/02/01/77/673020177.db2.gz DLOXTJLUHFPBQQ-UHFFFAOYSA-N 1 0 362.499 2.467 20 30 FEEDRO COc1ccc(CNC(=[NH2+])NC[C@H](O)c2ccccc2Cl)cc1OC ZINC000304745892 673020225 /nfs/dbraw/zinc/02/02/25/673020225.db2.gz FIRGYTPGNZRNQT-HNNXBMFYSA-N 1 0 363.845 2.495 20 30 FEEDRO CCCCNC(=[NH2+])NCCOc1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000305715851 673021816 /nfs/dbraw/zinc/02/18/16/673021816.db2.gz HFTFIGJZPWIHSQ-UHFFFAOYSA-N 1 0 367.393 2.063 20 30 FEEDRO C=CCNC(=O)NC(=O)C[NH2+]C1(c2cccc(OC(F)(F)F)c2)CC1 ZINC000594035244 673023648 /nfs/dbraw/zinc/02/36/48/673023648.db2.gz MOVYBPOBVRXYAB-UHFFFAOYSA-N 1 0 357.332 2.176 20 30 FEEDRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)COc2ccc(C#N)c(Br)c2)C1 ZINC000594103019 673031652 /nfs/dbraw/zinc/03/16/52/673031652.db2.gz SOVYQVDSFHCEIO-BJHJDKERSA-N 1 0 366.259 2.156 20 30 FEEDRO CCC[NH+]1CCC(NS(=O)(=O)c2cccc(C(=O)NC3CC3)c2)CC1 ZINC000328882207 673068889 /nfs/dbraw/zinc/06/88/89/673068889.db2.gz LPNBYTQRGXASGF-UHFFFAOYSA-N 1 0 365.499 2.306 20 30 FEEDRO CCCS(=O)(=O)Nc1ccc(NC(=O)[C@H]([NH3+])CCCCC#N)cc1 ZINC000594430835 673070880 /nfs/dbraw/zinc/07/08/80/673070880.db2.gz BPIFBOWUWMYKPJ-OAHLLOKOSA-N 1 0 352.460 2.188 20 30 FEEDRO CN(C(=O)[C@@H]([NH3+])CCCCC#N)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000594433919 673071456 /nfs/dbraw/zinc/07/14/56/673071456.db2.gz IWXSQVQTKSEZLQ-GOEBONIOSA-N 1 0 362.861 2.315 20 30 FEEDRO C[C@@H]1CN(Cc2csc(NC(=O)[C@@H]([NH3+])CCCCC#N)n2)C[C@H](C)O1 ZINC000594441334 673072048 /nfs/dbraw/zinc/07/20/48/673072048.db2.gz QYEZCTWDMKCXSL-GUTXKFCHSA-N 1 0 365.503 2.102 20 30 FEEDRO O=C(N[C@H]1CCCS(=O)(=O)C1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000329694942 673081904 /nfs/dbraw/zinc/08/19/04/673081904.db2.gz CWFDJRRAXHTCRS-SJORKVTESA-N 1 0 350.484 2.432 20 30 FEEDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)S(=O)(=O)c1cccc(C(=O)NC2CC2)c1 ZINC000329741897 673082619 /nfs/dbraw/zinc/08/26/19/673082619.db2.gz OZAKNYFSEMFSOC-DYVFJYSZSA-N 1 0 365.499 2.114 20 30 FEEDRO N#Cc1ccc(CS(=O)(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)c(F)c1 ZINC000594483772 673087852 /nfs/dbraw/zinc/08/78/52/673087852.db2.gz PIKCVEHWEGXRQD-IRXDYDNUSA-N 1 0 351.447 2.134 20 30 FEEDRO C=C[C@H](CO)[NH2+][C@@H](C)CC(=O)Nc1sc(C)c(C)c1C(=O)OCC ZINC000595106800 673194053 /nfs/dbraw/zinc/19/40/53/673194053.db2.gz LNYDJFYKDJKIAP-GXFFZTMASA-N 1 0 354.472 2.395 20 30 FEEDRO N#Cc1sccc1N1CCN(C(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])CC1 ZINC000595257351 673214472 /nfs/dbraw/zinc/21/44/72/673214472.db2.gz UKIVCGWUVBYESX-FLOBVVSRSA-N 1 0 358.511 2.422 20 30 FEEDRO C[C@@H]1C[NH+](CCN2CCN(c3ccc(C#N)cc3Cl)CC2)C[C@@H](C)O1 ZINC000595465454 673254640 /nfs/dbraw/zinc/25/46/40/673254640.db2.gz NXPJHPPREHVIKV-HZPDHXFCSA-N 1 0 362.905 2.443 20 30 FEEDRO N#C[C@H](c1cccs1)N1CCN(C(=O)C[N@@H+]2C[C@@H]3CCCC[C@@H]32)CC1 ZINC000595565912 673267674 /nfs/dbraw/zinc/26/76/74/673267674.db2.gz FSQJZHVVNYYZCC-YESZJQIVSA-N 1 0 358.511 2.331 20 30 FEEDRO N#Cc1ccc(NC(=O)CC[N@@H+]2CC[C@@H](Cn3ccnn3)C2)cc1Cl ZINC000595604777 673273085 /nfs/dbraw/zinc/27/30/85/673273085.db2.gz CUVRLNRLXJQTKC-CYBMUJFWSA-N 1 0 358.833 2.154 20 30 FEEDRO C[N@H+](CCCCNC(=O)N1CCN(c2ccsc2C#N)CC1)C1CC1 ZINC000595645918 673278032 /nfs/dbraw/zinc/27/80/32/673278032.db2.gz BHXUIKZEHAOGSI-UHFFFAOYSA-N 1 0 361.515 2.326 20 30 FEEDRO N#Cc1ccc(C[N@@H+](CCc2ccc(S(N)(=O)=O)cc2)C2CC2)cc1 ZINC000730938133 673296063 /nfs/dbraw/zinc/29/60/63/673296063.db2.gz ULBCDEJBVVPWET-UHFFFAOYSA-N 1 0 355.463 2.413 20 30 FEEDRO C[NH+](C)CCCNC(=S)NN=Cc1ccc(CSC(F)F)o1 ZINC000731931004 673348665 /nfs/dbraw/zinc/34/86/65/673348665.db2.gz WDDBCPUUTAXFMU-UHFFFAOYSA-N 1 0 350.460 2.485 20 30 FEEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+][C@@H]2[C@@H]3Cc4cc(F)ccc4[C@@H]32)c1 ZINC000596065990 673355137 /nfs/dbraw/zinc/35/51/37/673355137.db2.gz LNKUDWJZXXHERR-CEXWTWQISA-N 1 0 356.422 2.399 20 30 FEEDRO Cn1c(Sc2nc3ncccc3cc2C#N)nnc1C1CC[NH2+]CC1 ZINC000596131302 673361972 /nfs/dbraw/zinc/36/19/72/673361972.db2.gz LJXDLEXMHHWYJR-UHFFFAOYSA-N 1 0 351.439 2.248 20 30 FEEDRO N#Cc1ccc(C(F)(F)F)nc1N1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000596263643 673372577 /nfs/dbraw/zinc/37/25/77/673372577.db2.gz IIKWFVHROOSEFQ-UHFFFAOYSA-N 1 0 354.376 2.303 20 30 FEEDRO C[NH+]1CCN(c2ccc(-c3noc(-c4ccc(C#N)s4)n3)nc2)CC1 ZINC000596605642 673397338 /nfs/dbraw/zinc/39/73/38/673397338.db2.gz MYBXCRZRCMTEDO-UHFFFAOYSA-N 1 0 352.423 2.484 20 30 FEEDRO C=CCC[C@H]([NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000539069846 673472553 /nfs/dbraw/zinc/47/25/53/673472553.db2.gz BDYOOIGINZBDRV-INIZCTEOSA-N 1 0 353.444 2.208 20 30 FEEDRO C=CCC[C@H](CC)[NH2+][C@@H](C)C(=O)Nc1cccc(S(=O)(=O)NC)c1 ZINC000539075868 673472848 /nfs/dbraw/zinc/47/28/48/673472848.db2.gz LWMBZPDTQVJNKI-KBPBESRZSA-N 1 0 353.488 2.256 20 30 FEEDRO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)COc1ccc(C#N)c(Br)c1 ZINC000597701896 673500897 /nfs/dbraw/zinc/50/08/97/673500897.db2.gz WVXUIQKIODHMGB-XHDPSFHLSA-N 1 0 366.259 2.251 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)OCC(=O)N[C@H](C)c2ccc(Cl)cc2)CC1 ZINC000735939648 673508360 /nfs/dbraw/zinc/50/83/60/673508360.db2.gz IVEAVZPWQWKGFG-CQSZACIVSA-N 1 0 362.857 2.406 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)cc1C(F)(F)F ZINC000598722660 673603364 /nfs/dbraw/zinc/60/33/64/673603364.db2.gz CLEIUICMBMBPDA-RISCZKNCSA-N 1 0 359.373 2.079 20 30 FEEDRO Cc1cc(C#N)ccc1S(=O)(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000599105558 673633749 /nfs/dbraw/zinc/63/37/49/673633749.db2.gz YUKSYHVQRMPBCR-OLZOCXBDSA-N 1 0 361.389 2.015 20 30 FEEDRO C[N@@H+]1CCCC[C@H](CNC(=O)N2CCN(c3ccsc3C#N)CC2)C1 ZINC000599157546 673637245 /nfs/dbraw/zinc/63/72/45/673637245.db2.gz XXFYUTGINXILIK-OAHLLOKOSA-N 1 0 361.515 2.183 20 30 FEEDRO N#Cc1cnc2c(Br)cccc2c1NCC[N@H+]1CC[C@H](O)C1 ZINC000599199431 673640102 /nfs/dbraw/zinc/64/01/02/673640102.db2.gz KSZPPBDVJKFLFR-LBPRGKRZSA-N 1 0 361.243 2.347 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)CCc2c(C)nc(SC)nc2C)CC1 ZINC000740737526 673651775 /nfs/dbraw/zinc/65/17/75/673651775.db2.gz PQNSIEZRRXUNIN-UHFFFAOYSA-N 1 0 360.527 2.352 20 30 FEEDRO C[C@H]([NH2+]C[C@H](O)COc1ccccc1C#N)c1ccc([S@@](C)=O)cc1 ZINC000599353162 673662833 /nfs/dbraw/zinc/66/28/33/673662833.db2.gz GAAHKBFLNJRJOQ-IYCMYEMBSA-N 1 0 358.463 2.386 20 30 FEEDRO CO[C@]1(C(F)(F)F)CCC[N@H+](C[C@@H](O)CC2(C#N)CCOCC2)C1 ZINC000599380855 673666959 /nfs/dbraw/zinc/66/69/59/673666959.db2.gz ZTKGSGUCCXXTQT-DZGCQCFKSA-N 1 0 350.381 2.101 20 30 FEEDRO Cc1ccc([C@H]([NH2+]C[C@@H](O)CC2(C#N)CC2)[C@H](C)S(C)(=O)=O)cc1 ZINC000599398121 673669486 /nfs/dbraw/zinc/66/94/86/673669486.db2.gz AJAFNVWXOUGTQO-BHYGNILZSA-N 1 0 350.484 2.114 20 30 FEEDRO N#CC1(C[C@@H](O)C[NH2+][C@H](CCO)c2ccc(Cl)cc2)CCOCC1 ZINC000599418751 673673087 /nfs/dbraw/zinc/67/30/87/673673087.db2.gz WFTFSCGTXSIYPM-IAGOWNOFSA-N 1 0 352.862 2.424 20 30 FEEDRO Cc1noc([C@@H]2OCC[C@@H]2[NH2+]Cc2ccc(C#N)cc2OC(F)F)n1 ZINC000599684886 673705921 /nfs/dbraw/zinc/70/59/21/673705921.db2.gz JBYXFWAFPJGYQA-GXTWGEPZSA-N 1 0 350.325 2.471 20 30 FEEDRO C=CCn1nnn(CN(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1=S ZINC000743402641 673758838 /nfs/dbraw/zinc/75/88/38/673758838.db2.gz NIVGKNRQZMIBHN-QGZVFWFLSA-N 1 0 358.515 2.406 20 30 FEEDRO N#CC1(C[C@H](O)C[NH2+]C[C@@H](c2ccc(Cl)cc2)N2CCOCC2)CC1 ZINC000600721965 673794299 /nfs/dbraw/zinc/79/42/99/673794299.db2.gz OYGBNUXECQHYMQ-ROUUACIJSA-N 1 0 363.889 2.358 20 30 FEEDRO N#CC1(C[C@H](O)C[NH2+][C@@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)CC1 ZINC000600733306 673795224 /nfs/dbraw/zinc/79/52/24/673795224.db2.gz YNCYKXWHQQHYSD-YPMHNXCESA-N 1 0 351.809 2.229 20 30 FEEDRO C[NH+](C)CC1(CNS(=O)(=O)Cc2cc(C#N)ccc2F)CCCC1 ZINC000546779415 673817966 /nfs/dbraw/zinc/81/79/66/673817966.db2.gz HLXAUFNNFFFMAB-UHFFFAOYSA-N 1 0 353.463 2.239 20 30 FEEDRO N#CCc1ccccc1S(=O)(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000601342756 673845516 /nfs/dbraw/zinc/84/55/16/673845516.db2.gz GPDCZZOHFNCCQX-QZTJIDSGSA-N 1 0 355.463 2.177 20 30 FEEDRO C[C@@H]1[C@H]([NH+](C)C)CCN1S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000601421132 673859668 /nfs/dbraw/zinc/85/96/68/673859668.db2.gz CGXNPLJSNMSAHP-ZWNOBZJWSA-N 1 0 361.389 2.290 20 30 FEEDRO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)n1cc(C[NH2+]C2CC2)nn1 ZINC000603205034 673919046 /nfs/dbraw/zinc/91/90/46/673919046.db2.gz XKOVNQGLBBCQAB-SNVBAGLBSA-N 1 0 356.455 2.152 20 30 FEEDRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNc1ccc(C#N)cc1CS(N)(=O)=O ZINC000603298227 673923288 /nfs/dbraw/zinc/92/32/88/673923288.db2.gz XJQWBPFYUNQJMS-OKILXGFUSA-N 1 0 350.488 2.022 20 30 FEEDRO C[NH+]1CCC2(CCN(S(=O)(=O)c3cc(C#N)ccc3Cl)C2)CC1 ZINC000603377200 673927749 /nfs/dbraw/zinc/92/77/49/673927749.db2.gz ALFJGFFYIKAYAD-UHFFFAOYSA-N 1 0 353.875 2.318 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000818584402 675226145 /nfs/dbraw/zinc/22/61/45/675226145.db2.gz LVCWHOAPAMLTEY-UHFFFAOYSA-N 1 0 368.231 2.351 20 30 FEEDRO C#CC[N@@H+](C)CCCNC(=O)[C@@H](C)Oc1cccc(Br)c1 ZINC000818609115 675228495 /nfs/dbraw/zinc/22/84/95/675228495.db2.gz LDEDMFGJAZZCLP-CYBMUJFWSA-N 1 0 353.260 2.288 20 30 FEEDRO C[C@H](CNS(=O)(=O)c1ccc(C#N)c(Br)c1)[NH+]1CCCC1 ZINC000566716006 675237227 /nfs/dbraw/zinc/23/72/27/675237227.db2.gz OJIUJIYJVSSTAG-LLVKDONJSA-N 1 0 372.288 2.083 20 30 FEEDRO Cc1ccc(Cl)c(OC[C@@H](O)C[NH2+]CCNc2ccc(C#N)cn2)c1 ZINC000818951903 675245642 /nfs/dbraw/zinc/24/56/42/675245642.db2.gz AVUGWVPUNXBABZ-HNNXBMFYSA-N 1 0 360.845 2.357 20 30 FEEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+]C[C@@H](CO)CC2CCCC2)c1 ZINC000566915309 675252826 /nfs/dbraw/zinc/25/28/26/675252826.db2.gz HXPNPJHSLXKGLJ-KRWDZBQOSA-N 1 0 350.484 2.110 20 30 FEEDRO COCCCN(C1CC[NH+](C)CC1)S(=O)(=O)CC1(C#N)CCCCC1 ZINC000567033154 675261651 /nfs/dbraw/zinc/26/16/51/675261651.db2.gz MONXHBJMXCYKOM-UHFFFAOYSA-N 1 0 371.547 2.223 20 30 FEEDRO N#Cc1ccc(C[NH2+]C[C@H](O)COc2ccc(Br)cc2)nc1 ZINC000819313759 675280524 /nfs/dbraw/zinc/28/05/24/675280524.db2.gz KXQNTIFXUQKFCY-HNNXBMFYSA-N 1 0 362.227 2.245 20 30 FEEDRO CN(CCC#N)C[C@@H](O)C[NH2+]C[C@H](c1ccccc1Cl)N1CCCC1 ZINC000567680235 675311868 /nfs/dbraw/zinc/31/18/68/675311868.db2.gz UGDWSPQSWAVDDR-QFBILLFUSA-N 1 0 364.921 2.273 20 30 FEEDRO C#CCN(CC(=O)NC[C@@H](C)[N@@H+]1CCCC[C@@H]1C)C(=O)OC(C)(C)C ZINC000821986753 675462547 /nfs/dbraw/zinc/46/25/47/675462547.db2.gz WXTXGGMJODVLJJ-JKSUJKDBSA-N 1 0 351.491 2.236 20 30 FEEDRO O=C(NCC[NH2+][C@@H]1CCc2cc(F)c(F)c(F)c21)C1N=CC=CC1=O ZINC000823860938 675574901 /nfs/dbraw/zinc/57/49/01/675574901.db2.gz PZCFFBCPVPGHIS-QZAQEVDKSA-N 1 0 351.328 2.207 20 30 FEEDRO Cc1c(Cl)cnc(N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)c1C#N ZINC000603424450 675799124 /nfs/dbraw/zinc/79/91/24/675799124.db2.gz WKRAHMFWBPOCJJ-HNNXBMFYSA-N 1 0 363.893 2.124 20 30 FEEDRO CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)CSc1ccc(C#N)cc1 ZINC000829273442 675873270 /nfs/dbraw/zinc/87/32/70/675873270.db2.gz SVGZCHWWPLVAOG-UHFFFAOYSA-N 1 0 359.495 2.221 20 30 FEEDRO N#Cc1ccc(F)c(CS(=O)(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)c1 ZINC000618068348 676318563 /nfs/dbraw/zinc/31/85/63/676318563.db2.gz VGBQFGHZXFPHGB-INIZCTEOSA-N 1 0 351.447 2.134 20 30 FEEDRO N#CCc1ccccc1S(=O)(=O)NCCN1CCc2ccccc2C1 ZINC000619571849 676385465 /nfs/dbraw/zinc/38/54/65/676385465.db2.gz DOJRRVPDJXGCCG-UHFFFAOYSA-N 1 0 355.463 2.089 20 30 FEEDRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)NCc1ccc(C#N)c(Cl)c1 ZINC000619760228 676393712 /nfs/dbraw/zinc/39/37/12/676393712.db2.gz DAUONNZBYGBFHB-AWEZNQCLSA-N 1 0 363.893 2.037 20 30 FEEDRO C=CCOc1c(Cl)cc(C[NH2+][C@@H]2CCN(S(C)(=O)=O)C2)cc1OC ZINC000623559631 676540688 /nfs/dbraw/zinc/54/06/88/676540688.db2.gz IJOVSVZQCXQIDE-CYBMUJFWSA-N 1 0 374.890 2.037 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)NC[C@H](n2cccn2)C(F)(F)F)CC1 ZINC000623579230 676541762 /nfs/dbraw/zinc/54/17/62/676541762.db2.gz RZIZFOUCVYXVKH-AWEZNQCLSA-N 1 0 359.396 2.326 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000643901821 677234451 /nfs/dbraw/zinc/23/44/51/677234451.db2.gz VLZYJLKOGNFYDN-LPHOPBHVSA-N 1 0 364.511 2.329 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C[C@H](C)n2cc(Br)cn2)CC1 ZINC000648773279 677320272 /nfs/dbraw/zinc/32/02/72/677320272.db2.gz ANCDQGRKAUQJQU-LBPRGKRZSA-N 1 0 355.280 2.363 20 30 FEEDRO C[N@H+](CCCc1[nH]nc(N)c1C#N)Cc1cc(Cl)ccc1OCC#N ZINC000760889520 680704265 /nfs/dbraw/zinc/70/42/65/680704265.db2.gz QZQXKVONJZFAMO-UHFFFAOYSA-N 1 0 358.833 2.484 20 30 FEEDRO C=CC[C@@H]1CC[C@H]([NH2+]Cc2ccc(S(=O)(=O)NCCOC)cc2)C1 ZINC000651690651 677445008 /nfs/dbraw/zinc/44/50/08/677445008.db2.gz OTWZRLDKCWHFPX-WBVHZDCISA-N 1 0 352.500 2.446 20 30 FEEDRO C#CC[N@@H+](C)CCCNC(=O)N[C@@H](CC)[C@@H](O)c1c(F)cccc1F ZINC000838622838 680706505 /nfs/dbraw/zinc/70/65/05/680706505.db2.gz PYGDECBETDCRGF-DOTOQJQBSA-N 1 0 353.413 2.031 20 30 FEEDRO C#CC[N@@H+](C)CCCNC(=O)N[C@H](C)[C@@H](O)c1c(F)cccc1Cl ZINC000838623205 680706695 /nfs/dbraw/zinc/70/66/95/680706695.db2.gz UYODEWNIHQPTCR-MLGOLLRUSA-N 1 0 355.841 2.155 20 30 FEEDRO C=CCCn1cc(C[NH2+]C[C@H](CO)Cc2cc(F)c(F)c(F)c2)nn1 ZINC000657450101 678001110 /nfs/dbraw/zinc/00/11/10/678001110.db2.gz IIIYDSRVIOMRMK-CYBMUJFWSA-N 1 0 354.376 2.212 20 30 FEEDRO C=CCN1CC[C@H]([NH+]2CCC([C@@H](O)c3cc(F)ccc3F)CC2)C1=O ZINC000839152495 680741850 /nfs/dbraw/zinc/74/18/50/680741850.db2.gz OYHATJSWGAFYBP-ZWKOTPCHSA-N 1 0 350.409 2.497 20 30 FEEDRO C=CCCO[C@H](C)C(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(OC)c(F)c1 ZINC000659355793 678167543 /nfs/dbraw/zinc/16/75/43/678167543.db2.gz OSAPHHHPBDECTR-KMFMINBZSA-N 1 0 350.434 2.377 20 30 FEEDRO CNC(=O)C1([NH2+]CCC(=O)Nc2sc3c(c2C#N)CCC3)CCCC1 ZINC000839517870 680758816 /nfs/dbraw/zinc/75/88/16/680758816.db2.gz VSCCFQFUJOMVMD-UHFFFAOYSA-N 1 0 360.483 2.085 20 30 FEEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1cc(S(N)(=O)=O)ccc1C ZINC000661115833 678437330 /nfs/dbraw/zinc/43/73/30/678437330.db2.gz UJPSXZMPTPVFOH-GOEBONIOSA-N 1 0 365.499 2.305 20 30 FEEDRO C=CC[N@@H+](CC(=O)Nc1cc(S(N)(=O)=O)cc(C)c1C)C(C)(C)C ZINC000661755512 678529954 /nfs/dbraw/zinc/52/99/54/678529954.db2.gz SCZTUIFIRAGBDT-UHFFFAOYSA-N 1 0 353.488 2.176 20 30 FEEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)Nc1ccc(C)c(S(=O)(=O)NC)c1 ZINC000662085616 678575532 /nfs/dbraw/zinc/57/55/32/678575532.db2.gz IEUKNNJUZUCWDK-IYBDPMFKSA-N 1 0 363.483 2.025 20 30 FEEDRO C=CCN1CCN(C[N@H+]2C[C@H](CNC(=O)OC(C)(C)C)C[C@@H]2C)C1=O ZINC000840029913 680794121 /nfs/dbraw/zinc/79/41/21/680794121.db2.gz HLRQQCHWWKWFPC-GJZGRUSLSA-N 1 0 352.479 2.103 20 30 FEEDRO C=CC[C@]1(C(=O)N2CCC(NC(=O)c3ccc(C)s3)CC2)CCC[NH2+]1 ZINC000662547251 678636976 /nfs/dbraw/zinc/63/69/76/678636976.db2.gz SACDZVSIDOJZJN-LJQANCHMSA-N 1 0 361.511 2.476 20 30 FEEDRO C=CC[C@@]1(C(=O)Nc2ccc(F)c(N3CCCS3(=O)=O)c2)CCC[NH2+]1 ZINC000662573823 678639865 /nfs/dbraw/zinc/63/98/65/678639865.db2.gz DQRLWYZTJAGKCK-KRWDZBQOSA-N 1 0 367.446 2.002 20 30 FEEDRO C=C(C[NH+](C)C)C(=O)N(C)CC(=O)Nc1ccc(Br)cc1C ZINC000763933907 680796055 /nfs/dbraw/zinc/79/60/55/680796055.db2.gz XLNJHVGCSCQHFZ-UHFFFAOYSA-N 1 0 368.275 2.272 20 30 FEEDRO C=C(C[NH+](C)C)C(=O)N1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000763949035 680796353 /nfs/dbraw/zinc/79/63/53/680796353.db2.gz TUDJMKZCLYNTPB-UHFFFAOYSA-N 1 0 355.404 2.467 20 30 FEEDRO C=CCOc1ccc(Br)cc1NC(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000841259074 680871833 /nfs/dbraw/zinc/87/18/33/680871833.db2.gz MVBDQHYNTSLEAI-GWCFXTLKSA-N 1 0 365.231 2.247 20 30 FEEDRO [NH3+]C1(CNC(=O)C(=O)Nc2cccc(C#Cc3cccs3)c2)CCC1 ZINC000667463299 679104629 /nfs/dbraw/zinc/10/46/29/679104629.db2.gz IIDZWSPRGXHYDW-UHFFFAOYSA-N 1 0 353.447 2.084 20 30 FEEDRO C=CCCOCC(=O)N(C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000674308684 679481975 /nfs/dbraw/zinc/48/19/75/679481975.db2.gz RFZVOMZIOFZVCN-UHFFFAOYSA-N 1 0 351.535 2.234 20 30 FEEDRO C#CCOc1ccc(Br)cc1C[NH2+][C@@H]1CCC[C@@H]1C(=O)NC ZINC000765794106 680855455 /nfs/dbraw/zinc/85/54/55/680855455.db2.gz AILGZXIRLXFXMB-LSDHHAIUSA-N 1 0 365.271 2.465 20 30 FEEDRO COc1c(Br)cc(Cl)cc1NC(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000841109808 680863816 /nfs/dbraw/zinc/86/38/16/680863816.db2.gz PCGYLLWRJOHXHL-CPCISQLKSA-N 1 0 373.638 2.344 20 30 FEEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)Nc1ncc(Cc2ccc(F)c(F)c2)s1 ZINC000841018886 680860137 /nfs/dbraw/zinc/86/01/37/680860137.db2.gz YFCPDGDELCANBQ-YGRLFVJLSA-N 1 0 363.393 2.245 20 30 FEEDRO COC(=O)c1cc(C(C)(C)C)sc1NC(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000841113337 680864023 /nfs/dbraw/zinc/86/40/23/680864023.db2.gz KEJSZAKLWUYBON-KOLCDFICSA-N 1 0 350.444 2.065 20 30 FEEDRO C=C(Br)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCCO[C@H]2C(=C)C)C1 ZINC001019488179 680094601 /nfs/dbraw/zinc/09/46/01/680094601.db2.gz VESGHDIUYGVXGM-KKUMJFAQSA-N 1 0 357.292 2.457 20 30 FEEDRO C#CCN(CC(=O)NCC[C@@H](C)[NH+]1CCCCC1)C(=O)OC(C)(C)C ZINC000832115756 680096446 /nfs/dbraw/zinc/09/64/46/680096446.db2.gz YSDAHDAHNFUEIS-MRXNPFEDSA-N 1 0 351.491 2.237 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCC2CCOCC2)C1 ZINC001020714647 680113248 /nfs/dbraw/zinc/11/32/48/680113248.db2.gz VUIXAICDSGTFEX-VJANTYMQSA-N 1 0 350.503 2.411 20 30 FEEDRO C=C(Cl)C(C)(C)C(=O)N1C[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@]2(C)C1 ZINC000992685477 680124016 /nfs/dbraw/zinc/12/40/16/680124016.db2.gz CWSUHJIWUUOKGX-QMTMVMCOSA-N 1 0 367.921 2.166 20 30 FEEDRO C=C(Cl)C(C)(C)C(=O)N1C[C@H]2CN(C(=O)[C@H](CC)[NH+](C)C)C[C@@]2(C)C1 ZINC000992955971 680138383 /nfs/dbraw/zinc/13/83/83/680138383.db2.gz GDZGJJCHGQGLIB-VCBZYWHSSA-N 1 0 369.937 2.412 20 30 FEEDRO CCN(CCC#N)C(=O)C[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C1(C)C ZINC000832645764 680159376 /nfs/dbraw/zinc/15/93/76/680159376.db2.gz OXRFJYOUGHGPMB-CQSZACIVSA-N 1 0 352.479 2.126 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]C[C@H](O)C2CCCCC2)C1 ZINC001022099363 680195908 /nfs/dbraw/zinc/19/59/08/680195908.db2.gz IQHGJIHCWNUSPG-LFDJNIOPSA-N 1 0 350.503 2.146 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(C1)CCC[N@H+](CCc1ccns1)C2 ZINC000982023495 680263735 /nfs/dbraw/zinc/26/37/35/680263735.db2.gz JKXIELMACVGHIE-SJORKVTESA-N 1 0 361.511 2.201 20 30 FEEDRO Cc1cc(Br)c(C[NH2+]CCNC(=O)C2N=CC=CC2=O)s1 ZINC000835039969 680289769 /nfs/dbraw/zinc/28/97/69/680289769.db2.gz NTNSDXQIOZIWEX-BUHFOSPRSA-N 1 0 370.272 2.435 20 30 FEEDRO C#CCOc1ccc(Br)cc1C[NH2+]C[C@]1(C)CCC(=O)N1 ZINC000835062057 680292219 /nfs/dbraw/zinc/29/22/19/680292219.db2.gz QQASBZXHBMOWSA-INIZCTEOSA-N 1 0 351.244 2.219 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]([NH2+]Cc2snnc2C)C(C)(C)C1 ZINC000996402506 680331532 /nfs/dbraw/zinc/33/15/32/680331532.db2.gz QJIAKBLLVJWMER-BPUTZDHNSA-N 1 0 364.515 2.154 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2nc(C(C)C)ns2)C1 ZINC001027076480 680354782 /nfs/dbraw/zinc/35/47/82/680354782.db2.gz OVGOESNUNKBKKK-KFWWJZLASA-N 1 0 364.515 2.191 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2nnc(CCC)s2)C1 ZINC001027075633 680354811 /nfs/dbraw/zinc/35/48/11/680354811.db2.gz XAZOAZFIZHLCII-KFWWJZLASA-N 1 0 364.515 2.020 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]C[C@@H]2CCCOC2)C1 ZINC000984905604 680394941 /nfs/dbraw/zinc/39/49/41/680394941.db2.gz PUWOZVCTTHFRAT-VMXHOPILSA-N 1 0 350.503 2.269 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1CC([NH2+]CCn2cc(Cl)cn2)C1 ZINC000999539804 680405784 /nfs/dbraw/zinc/40/57/84/680405784.db2.gz PLIAITIIAHMGFR-GQGLESIBSA-N 1 0 366.893 2.097 20 30 FEEDRO C=C(Br)C[NH2+][C@H]1CCCN(C(=O)[C@]23CCC[C@H]2OCC3)C1 ZINC000999676475 680409062 /nfs/dbraw/zinc/40/90/62/680409062.db2.gz OEQIYONIIGDBIZ-LZWOXQAQSA-N 1 0 357.292 2.435 20 30 FEEDRO C=C(Br)CN1CC[C@H](N(CC)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001033837893 680425788 /nfs/dbraw/zinc/42/57/88/680425788.db2.gz KQXWSQDIVQXEAJ-QLFBSQMISA-N 1 0 358.324 2.158 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC2(CC[N@H+](CCCO)C2)CC1 ZINC001035237378 680444604 /nfs/dbraw/zinc/44/46/04/680444604.db2.gz ZRJKITIPPYGMBQ-ROUUACIJSA-N 1 0 350.503 2.055 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](CC2CC(C)(C)C2)CCO1 ZINC001035543996 680450971 /nfs/dbraw/zinc/45/09/71/680450971.db2.gz YNPQEJZPESLRJM-SQNIBIBYSA-N 1 0 350.503 2.221 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC2(C[NH+](C[C@@H](C)OC)C2)CC1 ZINC001035813340 680453107 /nfs/dbraw/zinc/45/31/07/680453107.db2.gz GALJHXAFRHEXDD-SQNIBIBYSA-N 1 0 350.503 2.317 20 30 FEEDRO C[C@@H]1[C@H](C(=O)N2CC[C@H](Nc3ncc(C#N)cc3Cl)[C@@H]2C)CC[N@@H+]1C ZINC001040269664 680469914 /nfs/dbraw/zinc/46/99/14/680469914.db2.gz ZYGXZEGPWZDCJV-FIRUKDTASA-N 1 0 361.877 2.348 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)NCCc1ccc(F)c(Br)c1 ZINC000836488678 680476085 /nfs/dbraw/zinc/47/60/85/680476085.db2.gz PIQPQPWPNGVCEV-UHFFFAOYSA-N 1 0 370.266 2.385 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1CC[NH+](CC2CCOCC2)CC1 ZINC001001935213 680482439 /nfs/dbraw/zinc/48/24/39/680482439.db2.gz SBVAPOYRNSOANP-OALUTQOASA-N 1 0 350.503 2.222 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC2(C1)CC[NH+](C[C@H](C)O)CC2 ZINC001040881827 680492578 /nfs/dbraw/zinc/49/25/78/680492578.db2.gz UIDXPDHJDZCMOV-BZSNNMDCSA-N 1 0 350.503 2.053 20 30 FEEDRO N#Cc1ccc(C[N@H+]2CC[C@@]3(CCN(C(=O)[C@]45C[C@H]4COC5)C3)C2)s1 ZINC001041304969 680504026 /nfs/dbraw/zinc/50/40/26/680504026.db2.gz QLTQLCXJSGCSPD-KYNGSXCRSA-N 1 0 357.479 2.081 20 30 FEEDRO C[C@@H]1CN(c2nc(C#N)c(Cl)s2)C[C@H]1NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001042425910 680530293 /nfs/dbraw/zinc/53/02/93/680530293.db2.gz GSQLRTNYKNVCQW-RTXFEEFZSA-N 1 0 367.906 2.093 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CC[NH+](CCC[C@@H]2CCOC2)CC1 ZINC001003789357 680542278 /nfs/dbraw/zinc/54/22/78/680542278.db2.gz UVYDLSGSGQLCDA-NEWSRXKRSA-N 1 0 350.503 2.365 20 30 FEEDRO C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1Nc1nc(C#N)c(Cl)s1 ZINC001043096215 680560336 /nfs/dbraw/zinc/56/03/36/680560336.db2.gz WWOKFINTXYTVBJ-JLLWLGSASA-N 1 0 353.879 2.021 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CC[NH+](CCC2CCOCC2)CC1 ZINC001006023321 680590717 /nfs/dbraw/zinc/59/07/17/680590717.db2.gz VHIQKHWICLJHEF-MOPGFXCFSA-N 1 0 350.503 2.317 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)NC1(C)CC[NH+](C[C@H](OC)C2CCC2)CC1 ZINC001045563424 680634845 /nfs/dbraw/zinc/63/48/45/680634845.db2.gz FSMGEKNWIDDLBM-SQNIBIBYSA-N 1 0 350.503 2.363 20 30 FEEDRO C[NH+](C)CCN(Cc1ccsc1)C(=O)C#Cc1ccc2c(c1)OCO2 ZINC000838185570 680678350 /nfs/dbraw/zinc/67/83/50/680678350.db2.gz HVUQZMUMYLHZBD-UHFFFAOYSA-N 1 0 356.447 2.419 20 30 FEEDRO CCOC(=O)c1cc(C(C)(C)C)sc1NC(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000841160614 680866813 /nfs/dbraw/zinc/86/68/13/680866813.db2.gz JDVIBHHAPIIRCD-PWSUYJOCSA-N 1 0 364.471 2.455 20 30 FEEDRO Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000841219033 680869475 /nfs/dbraw/zinc/86/94/75/680869475.db2.gz DGLOQGYCWULCAJ-PSASIEDQSA-N 1 0 350.835 2.035 20 30 FEEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)Nc1nc2c(cccc2Br)s1 ZINC000841239209 680870672 /nfs/dbraw/zinc/87/06/72/680870672.db2.gz XDRCMAKCYMJLLT-APPZFPTMSA-N 1 0 366.244 2.292 20 30 FEEDRO C=CCOc1ccc(Br)cc1NC(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000841259077 680871930 /nfs/dbraw/zinc/87/19/30/680871930.db2.gz MVBDQHYNTSLEAI-ZWNOBZJWSA-N 1 0 365.231 2.247 20 30 FEEDRO N#Cc1cc(S(=O)(=O)N2CC[C@]3(CCC[NH2+]3)C2)ccc1C(F)(F)F ZINC000842484436 680950423 /nfs/dbraw/zinc/95/04/23/680950423.db2.gz IZFHKOKDICZRDR-CQSZACIVSA-N 1 0 359.373 2.094 20 30 FEEDRO C=CCS(=O)(=O)CC[NH2+][C@H](C)C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000769551424 680986875 /nfs/dbraw/zinc/98/68/75/680986875.db2.gz JTFASSOEMQSCGQ-CABCVRRESA-N 1 0 360.520 2.355 20 30 FEEDRO Cc1cc(C)cc([C@H](O)C[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)c1 ZINC000843095721 680987366 /nfs/dbraw/zinc/98/73/66/680987366.db2.gz WDJUVYZRTVQGNQ-LJQANCHMSA-N 1 0 358.463 2.272 20 30 FEEDRO N#Cc1ccc(C[N@H+]2CC[C@H]3[C@@H]2CCCN3C(=O)[C@]23C[C@H]2COC3)s1 ZINC001049492399 681033517 /nfs/dbraw/zinc/03/35/17/681033517.db2.gz UNQNKYYFNPWQSM-UHEFJODHSA-N 1 0 357.479 2.222 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCO[C@@H](C[NH2+]CC2CCCCC2)C1 ZINC001051618936 681067871 /nfs/dbraw/zinc/06/78/71/681067871.db2.gz HPFNOBWTFALYSK-OTWHNJEPSA-N 1 0 350.503 2.365 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)OC2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000772116506 681086299 /nfs/dbraw/zinc/08/62/99/681086299.db2.gz RKCCCHHPBPRNFC-UHFFFAOYSA-N 1 0 350.459 2.274 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCC2(C[NH+](CCC(C)C)C2)O1 ZINC001053602301 681100822 /nfs/dbraw/zinc/10/08/22/681100822.db2.gz FYDITPVLIAWTEH-KSZLIROESA-N 1 0 350.503 2.363 20 30 FEEDRO C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)O[C@H]1CCC[C@H](C#N)C1 ZINC000845603817 681140764 /nfs/dbraw/zinc/14/07/64/681140764.db2.gz YAOGICGOTNKFRF-KKUMJFAQSA-N 1 0 353.463 2.457 20 30 FEEDRO C=C[C@@H](C)ONC(=O)N(C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000845628796 681142015 /nfs/dbraw/zinc/14/20/15/681142015.db2.gz FOUKFYBVGKPHAM-MRXNPFEDSA-N 1 0 352.523 2.330 20 30 FEEDRO C#CCN(C(=O)[C@H](CC[NH+](C)C)NC(=O)OC(C)(C)C)C1CCCC1 ZINC000845775634 681151745 /nfs/dbraw/zinc/15/17/45/681151745.db2.gz LEAAZTIDXPHZMT-INIZCTEOSA-N 1 0 351.491 2.236 20 30 FEEDRO C[C@@H]1[C@H](C(=O)N2CCCN(c3snc(Cl)c3C#N)CC2)CC[N@@H+]1C ZINC001057248409 681159658 /nfs/dbraw/zinc/15/96/58/681159658.db2.gz LPPZMONKIMNTIQ-VXGBXAGGSA-N 1 0 367.906 2.047 20 30 FEEDRO COc1cc(Br)cc(C(=O)NC2(C#N)CC[NH+](C)CC2)c1 ZINC000932178854 681188970 /nfs/dbraw/zinc/18/89/70/681188970.db2.gz UHIDUYUZEKPIFF-UHFFFAOYSA-N 1 0 352.232 2.175 20 30 FEEDRO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3cnn(C)c3)CC[C@@H]2C1 ZINC000946792092 681261650 /nfs/dbraw/zinc/26/16/50/681261650.db2.gz DZCISSHICMSEBD-CIRFHOKZSA-N 1 0 362.905 2.447 20 30 FEEDRO COCC#CC[NH+]1CCC2(CO[C@H](CNC(=O)OC(C)(C)C)C2)CC1 ZINC000932681102 681285622 /nfs/dbraw/zinc/28/56/22/681285622.db2.gz XAEFQRNUTVEEGE-INIZCTEOSA-N 1 0 352.475 2.032 20 30 FEEDRO C#CC[C@@H]([NH2+]CC(=O)Nc1cccc(S(C)(=O)=O)c1)c1ccccc1 ZINC000775397957 681304356 /nfs/dbraw/zinc/30/43/56/681304356.db2.gz CEDOZNPMUDMFQP-GOSISDBHSA-N 1 0 356.447 2.383 20 30 FEEDRO CCN(CC)c1ccc(/C=[NH+]\[C@@H]2CCOC[C@H]2OCCOC)c(O)c1 ZINC000776721628 681429963 /nfs/dbraw/zinc/42/99/63/681429963.db2.gz INRBYJNQJSCKMR-LJBWOGQWSA-N 1 0 350.459 2.478 20 30 FEEDRO C=CC1(CC(=O)NCC[N@H+]2CC[C@H](C)C2)CN(C(=O)OC(C)(C)C)C1 ZINC000933929609 681486211 /nfs/dbraw/zinc/48/62/11/681486211.db2.gz PPEZXTZLQLYACS-HNNXBMFYSA-N 1 0 351.491 2.258 20 30 FEEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)C1(c2cccc(OC(F)(F)F)c2)CCC1 ZINC000848418765 681536951 /nfs/dbraw/zinc/53/69/51/681536951.db2.gz MYJBXLJQZSKNSH-BXUZGUMPSA-N 1 0 353.344 2.235 20 30 FEEDRO N#Cc1ccc(CN2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)c(OC(F)F)c1 ZINC000934262487 681537358 /nfs/dbraw/zinc/53/73/58/681537358.db2.gz KFJJEIDXSVKAEN-HOTGVXAUSA-N 1 0 351.397 2.191 20 30 FEEDRO C#CCOc1cccc(Cl)c1C[NH2+]C[C@H]1COC2(CCOCC2)O1 ZINC000778179270 681582878 /nfs/dbraw/zinc/58/28/78/681582878.db2.gz TWLVIAXQQNMWSU-AWEZNQCLSA-N 1 0 351.830 2.364 20 30 FEEDRO C=C(C)C[N@H+]1CCC[C@H](N(C)C(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)CC1 ZINC000948547283 681588512 /nfs/dbraw/zinc/58/85/12/681588512.db2.gz VZFJQHLFERAWQG-ZNMIVQPWSA-N 1 0 364.408 2.222 20 30 FEEDRO CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)NCC1CC[NH2+]CC1 ZINC000848940881 681646173 /nfs/dbraw/zinc/64/61/73/681646173.db2.gz YUZKGSQQHUJEKQ-OAHLLOKOSA-N 1 0 352.479 2.079 20 30 FEEDRO C=CCS(=O)(=O)CCNC(=[NH2+])Nc1cccc(OC(F)(F)F)c1 ZINC000849082603 681650820 /nfs/dbraw/zinc/65/08/20/681650820.db2.gz IIARFMRKVXPZKO-UHFFFAOYSA-N 1 0 351.350 2.122 20 30 FEEDRO C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912901039 685466085 /nfs/dbraw/zinc/46/60/85/685466085.db2.gz XGWBUZVHMWYOTD-ZIAGYGMSSA-N 1 0 357.882 2.329 20 30 FEEDRO C[N@@H+]1C[C@@]2(C)CN(C(=O)c3cnc(C(F)(F)F)c(C#N)c3)C[C@@]2(C)C1 ZINC000913275200 685474919 /nfs/dbraw/zinc/47/49/19/685474919.db2.gz ACINXJYDESWGDP-IYBDPMFKSA-N 1 0 352.360 2.386 20 30 FEEDRO COc1ccc(-c2ncc(C(=O)NCC#CC[NH+](C)C)s2)cc1OC ZINC000913521816 685479192 /nfs/dbraw/zinc/47/91/92/685479192.db2.gz NVPHVDSAIHLXTC-UHFFFAOYSA-N 1 0 359.451 2.122 20 30 FEEDRO C[NH+](C)CC#CCNC(=O)CCc1cnc(NC(=O)OC(C)(C)C)s1 ZINC000913524908 685479299 /nfs/dbraw/zinc/47/92/99/685479299.db2.gz BMVVMYUOHUBNBK-UHFFFAOYSA-N 1 0 366.487 2.104 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(CC)C1C[NH+](CCC[C@H]2CCOC2)C1 ZINC000953830453 681801073 /nfs/dbraw/zinc/80/10/73/681801073.db2.gz ADIKETWEMZUVNP-WDSOQIARSA-N 1 0 350.503 2.317 20 30 FEEDRO O=C(NCC[NH2+]Cc1cc(F)ccc1OC(F)F)C1N=CC=CC1=O ZINC000850137309 681857816 /nfs/dbraw/zinc/85/78/16/681857816.db2.gz MKBLYEPFDWOHKO-PFONDFGASA-N 1 0 355.316 2.043 20 30 FEEDRO CN(C)[C@H](CNS(=O)(=O)Cc1csc(C#N)c1)c1ccc(F)cc1 ZINC000913947595 685489861 /nfs/dbraw/zinc/48/98/61/685489861.db2.gz HEZFJAWNXVNCBI-MRXNPFEDSA-N 1 0 367.471 2.481 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNS(=O)(=O)c1cn(C)c(Cl)n1)C(C)C ZINC000780852732 681877976 /nfs/dbraw/zinc/87/79/76/681877976.db2.gz MSDLGWPZNYUYOE-ZDUSSCGKSA-N 1 0 360.911 2.050 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)NCc2cc(Br)cs2)CC1 ZINC000914200816 685498529 /nfs/dbraw/zinc/49/85/29/685498529.db2.gz QGCGJAYOSHUMRX-UHFFFAOYSA-N 1 0 356.289 2.407 20 30 FEEDRO N#Cc1cc(CS(=O)(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cs1 ZINC000914273421 685502043 /nfs/dbraw/zinc/50/20/43/685502043.db2.gz GNKKEQOOTHPGBR-RHSMWYFYSA-N 1 0 365.524 2.398 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)NCc2cccc(Br)c2)CC1 ZINC000915243736 685513507 /nfs/dbraw/zinc/51/35/07/685513507.db2.gz MUXOZMADRTXFFN-UHFFFAOYSA-N 1 0 350.260 2.346 20 30 FEEDRO C=C(Cl)C[N@H+]1CCC[C@H](C2CCN(C(=O)[C@H]3OCCO[C@H]3C)CC2)C1 ZINC000961376960 682091384 /nfs/dbraw/zinc/09/13/84/682091384.db2.gz UKSCXYYZPYLVFL-SZMVWBNQSA-N 1 0 370.921 2.493 20 30 FEEDRO C=CCn1c(C)nn(CN2CC[N@H+](C3CCOCC3)C[C@H]2C)c1=S ZINC000782913165 682093625 /nfs/dbraw/zinc/09/36/25/682093625.db2.gz KWUCJWJZUWPGON-CQSZACIVSA-N 1 0 351.520 2.051 20 30 FEEDRO C[NH+]1CCN(c2cccc(Cl)c2C=NNC(=S)NC2CC2)CC1 ZINC000915945533 685519802 /nfs/dbraw/zinc/51/98/02/685519802.db2.gz SDIGPXGVZUXAMB-UHFFFAOYSA-N 1 0 351.907 2.052 20 30 FEEDRO C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)c3ccc(C(F)(F)F)cc3C#N)C[C@@H]2C1 ZINC000916663407 685526749 /nfs/dbraw/zinc/52/67/49/685526749.db2.gz FEKLKDSDIODWLD-YPMHNXCESA-N 1 0 373.400 2.149 20 30 FEEDRO C#C[C@H]([NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1)[C@@H]1CCCO1 ZINC000784353180 682219444 /nfs/dbraw/zinc/21/94/44/682219444.db2.gz XZGDYBJXRUSMHF-KBMXLJTQSA-N 1 0 372.234 2.098 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2nc(CN(C)C)cs2)CC1 ZINC000917092480 685529593 /nfs/dbraw/zinc/52/95/93/685529593.db2.gz NUDUWALNKDXUIS-UHFFFAOYSA-N 1 0 351.520 2.044 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2cc(C(F)(F)F)nn2C)CC1 ZINC000917098387 685529699 /nfs/dbraw/zinc/52/96/99/685529699.db2.gz WNAKXVVVNSXHGO-UHFFFAOYSA-N 1 0 359.396 2.279 20 30 FEEDRO C=C(C)C[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F ZINC000968916716 682250097 /nfs/dbraw/zinc/25/00/97/682250097.db2.gz GWCTVSABWWNYQJ-ZNMIVQPWSA-N 1 0 364.408 2.270 20 30 FEEDRO C[NH+]1C[C@]2(C)CN(S(=O)(=O)c3ccc(Cl)cc3C#N)C[C@@]2(C)C1 ZINC000918351681 685538547 /nfs/dbraw/zinc/53/85/47/685538547.db2.gz MBVBGNFSQQQXHA-HZPDHXFCSA-N 1 0 353.875 2.174 20 30 FEEDRO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](C)C[C@H]2CNC(=O)OC(C)(C)C)C1=O ZINC000852604663 682307633 /nfs/dbraw/zinc/30/76/33/682307633.db2.gz SPBQHEAIYBZZJM-OWCLPIDISA-N 1 0 351.491 2.399 20 30 FEEDRO C=CCN1C(=S)N=NC1c1sc(NC(=O)[C@@H](CC)[NH2+]C)nc1C ZINC000852784164 682342726 /nfs/dbraw/zinc/34/27/26/682342726.db2.gz FBNZMCXLCFICSQ-SECBINFHSA-N 1 0 352.489 2.121 20 30 FEEDRO COC(=O)C[C@H](NC(=O)C#CC1CC[NH2+]CC1)c1ccc(SC)cc1 ZINC000852834631 682348755 /nfs/dbraw/zinc/34/87/55/682348755.db2.gz VPCJBRSXIWOPRN-KRWDZBQOSA-N 1 0 360.479 2.132 20 30 FEEDRO COc1ccc(Cl)c(N2CCN(C(=O)C#CC3CC[NH2+]CC3)CC2)c1 ZINC000852896259 682354800 /nfs/dbraw/zinc/35/48/00/682354800.db2.gz WUFXOXVDFMKVLL-UHFFFAOYSA-N 1 0 361.873 2.000 20 30 FEEDRO N#Cc1ncc(Br)cc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000853574486 682437595 /nfs/dbraw/zinc/43/75/95/682437595.db2.gz LCRXVQLCXNPIPX-CYBMUJFWSA-N 1 0 365.275 2.264 20 30 FEEDRO C#CCN(CC(=O)NC[C@@H](c1cccs1)[NH+](C)C)C(=O)OC(C)(C)C ZINC000854240757 682528448 /nfs/dbraw/zinc/52/84/48/682528448.db2.gz WQXAJXSCOOWKLT-AWEZNQCLSA-N 1 0 365.499 2.337 20 30 FEEDRO C=C(C)CS(=O)(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000790041744 682650945 /nfs/dbraw/zinc/65/09/45/682650945.db2.gz BXTPRNRNTFXAMD-UHFFFAOYSA-N 1 0 363.527 2.214 20 30 FEEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)Nc1cc(Cl)c(Br)cc1F ZINC000859706279 683146246 /nfs/dbraw/zinc/14/62/46/683146246.db2.gz OWKOKKDFWCJUCD-UPONEAKYSA-N 1 0 361.602 2.475 20 30 FEEDRO C[C@H](CC(C)(C)C#N)[NH2+]CCNC(=O)c1ccc(Br)cn1 ZINC000926683148 683161711 /nfs/dbraw/zinc/16/17/11/683161711.db2.gz LILRDXAYZDDLAZ-LLVKDONJSA-N 1 0 353.264 2.492 20 30 FEEDRO Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+]CCNc2ccc(C#N)cn2)cc1 ZINC000927166113 683213397 /nfs/dbraw/zinc/21/33/97/683213397.db2.gz VNKFHHGCRRXIHZ-OAHLLOKOSA-N 1 0 358.467 2.126 20 30 FEEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CC[C@@H](CC[NH3+])C1 ZINC000927886091 683333546 /nfs/dbraw/zinc/33/35/46/683333546.db2.gz KYJYJUDIEDHDIM-UONOGXRCSA-N 1 0 360.483 2.074 20 30 FEEDRO C[C@@H]1CN(C(=O)C(=O)Nc2scc(C(C)(C)C)c2C#N)CC[C@H]1C[NH3+] ZINC000927890151 683334821 /nfs/dbraw/zinc/33/48/21/683334821.db2.gz GAOKCCSKWCDEMM-NEPJUHHUSA-N 1 0 362.499 2.299 20 30 FEEDRO C[C@H]1CN(C(=O)C(=O)Nc2ccccc2SCCC#N)CC[C@@H]1C[NH3+] ZINC000927895510 683336692 /nfs/dbraw/zinc/33/66/92/683336692.db2.gz YHWFTYWANRAISI-UONOGXRCSA-N 1 0 360.483 2.074 20 30 FEEDRO C#CCC[C@@H](O)CNC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000798354607 683338860 /nfs/dbraw/zinc/33/88/60/683338860.db2.gz KOMUMUQOXIJOIQ-GOSISDBHSA-N 1 0 363.889 2.378 20 30 FEEDRO C[NH+](C)CC[C@@H](NS(=O)(=O)c1cccc(CC#N)c1)c1cccnc1 ZINC000921480106 683481132 /nfs/dbraw/zinc/48/11/32/683481132.db2.gz ZGFOIBKHFGPDTM-GOSISDBHSA-N 1 0 358.467 2.119 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)c2cc(Cl)ncc2Br)CC1 ZINC000928650981 683481489 /nfs/dbraw/zinc/48/14/89/683481489.db2.gz JIHSFYHBGBOSLI-UHFFFAOYSA-N 1 0 356.651 2.325 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)c2cc(OC)c(Br)s2)CC1 ZINC000928654677 683482170 /nfs/dbraw/zinc/48/21/70/683482170.db2.gz MACVYBADYTXFGI-UHFFFAOYSA-N 1 0 357.273 2.347 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000928657632 683482894 /nfs/dbraw/zinc/48/28/94/683482894.db2.gz QPJOQVMADSKUIT-GFCCVEGCSA-N 1 0 365.817 2.229 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000928656323 683483076 /nfs/dbraw/zinc/48/30/76/683483076.db2.gz RZWMRXZHLIXLTC-UHFFFAOYSA-N 1 0 366.215 2.185 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)c2cc(Br)cnc2Cl)CC1 ZINC000928658263 683483108 /nfs/dbraw/zinc/48/31/08/683483108.db2.gz OPKGHKCAJSTRRK-UHFFFAOYSA-N 1 0 356.651 2.325 20 30 FEEDRO C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C#N)C1CCCC1 ZINC000921554781 683500376 /nfs/dbraw/zinc/50/03/76/683500376.db2.gz OFEZQYUOJNBMMY-LSDHHAIUSA-N 1 0 352.479 2.030 20 30 FEEDRO C=CC1(CC(=O)N(C)C2CC[NH+](C)CC2)CN(C(=O)OC(C)(C)C)C1 ZINC000929123193 683549130 /nfs/dbraw/zinc/54/91/30/683549130.db2.gz VTZMPNVBRVIMGV-UHFFFAOYSA-N 1 0 351.491 2.352 20 30 FEEDRO C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cc(Cl)cnc1Cl ZINC000922023056 683639150 /nfs/dbraw/zinc/63/91/50/683639150.db2.gz SPXZLQLGULKGKQ-UHFFFAOYSA-N 1 0 362.282 2.107 20 30 FEEDRO C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccccc1C(F)(F)F ZINC000922025131 683639918 /nfs/dbraw/zinc/63/99/18/683639918.db2.gz DJSKLXLTUGKMEC-UHFFFAOYSA-N 1 0 360.401 2.424 20 30 FEEDRO N#Cc1ccc(Br)c(C[NH2+][C@@H]2CCCN(CCCO)C2)c1 ZINC000922153967 683670791 /nfs/dbraw/zinc/67/07/91/683670791.db2.gz GPEDERDHGQHYLB-OAHLLOKOSA-N 1 0 352.276 2.257 20 30 FEEDRO Cc1ccc(S(=O)(=O)NN=C2CC[N@@H+](C)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000863065559 683675249 /nfs/dbraw/zinc/67/52/49/683675249.db2.gz YMAAAMRSWPRLPN-UHFFFAOYSA-N 1 0 354.432 2.042 20 30 FEEDRO C[N@H+](Cc1ccccc1)CC(C)(C)C=NN[C@@H]1CCCS(=O)(=O)C1 ZINC000863130631 683679139 /nfs/dbraw/zinc/67/91/39/683679139.db2.gz QHRBMYDXRBQEGF-QGZVFWFLSA-N 1 0 351.516 2.297 20 30 FEEDRO C[C@](O)(C[N@@H+]1CC[C@@H](C(F)(F)F)[C@H](CO)C1)C(F)(F)C(F)(F)F ZINC000930452039 683736398 /nfs/dbraw/zinc/73/63/98/683736398.db2.gz FZLRIMHBQGOODK-YIZRAAEISA-N 1 0 359.257 2.428 20 30 FEEDRO C[C@@](O)(C[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1)C(F)(F)C(F)(F)F ZINC000930541957 683749130 /nfs/dbraw/zinc/74/91/30/683749130.db2.gz QRPYNILNTGDVTH-DGCLKSJQSA-N 1 0 365.302 2.355 20 30 FEEDRO C#CCOc1ccc(Br)cc1C[NH2+]C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000922727914 683773709 /nfs/dbraw/zinc/77/37/09/683773709.db2.gz HPOBVMNLWATJRV-KMFMINBZSA-N 1 0 366.255 2.355 20 30 FEEDRO CC(C)(C[NH2+]Cc1cc(C#N)ccc1Br)CS(C)(=O)=O ZINC000922735853 683774638 /nfs/dbraw/zinc/77/46/38/683774638.db2.gz YSACGZWWXJCEPR-UHFFFAOYSA-N 1 0 359.289 2.481 20 30 FEEDRO C[NH+](C)CC#CCNC(=O)Nc1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000930984599 683813884 /nfs/dbraw/zinc/81/38/84/683813884.db2.gz NCYBCQLEWFDUTF-CQSZACIVSA-N 1 0 365.861 2.442 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)Nc1cc(Br)cc2c1NC(=O)CO2 ZINC000923025749 683822079 /nfs/dbraw/zinc/82/20/79/683822079.db2.gz OXDGOGGJWPNSAX-UHFFFAOYSA-N 1 0 368.231 2.226 20 30 FEEDRO Cc1nn(C)c(N2CCN(c3cc[nH+]cc3C(F)(F)F)CC2)c1C#N ZINC000865719196 684018216 /nfs/dbraw/zinc/01/82/16/684018216.db2.gz QXCCDFRJRCOOAY-UHFFFAOYSA-N 1 0 350.348 2.341 20 30 FEEDRO C[C@H]1CCC[C@](C#N)(NC(=O)[C@H](C[NH+](C)C)NC(=O)OC(C)(C)C)C1 ZINC000865919269 684045321 /nfs/dbraw/zinc/04/53/21/684045321.db2.gz DDSYGRWEKNJARU-DEYYWGMASA-N 1 0 352.479 2.030 20 30 FEEDRO C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC[N@H+]1CC[C@@H](C)C1 ZINC000866271224 684087141 /nfs/dbraw/zinc/08/71/41/684087141.db2.gz GFNYSQVIHAGTIT-OCCSQVGLSA-N 1 0 359.898 2.480 20 30 FEEDRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@H]2Cc3ccc(C#N)cc3C2)c1 ZINC000866617500 684126810 /nfs/dbraw/zinc/12/68/10/684126810.db2.gz KHDQBKGVIZXJRO-UGSOOPFHSA-N 1 0 355.463 2.284 20 30 FEEDRO C[C@H]1CN(S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)CC[C@H]1C[NH3+] ZINC000923704856 684336607 /nfs/dbraw/zinc/33/66/07/684336607.db2.gz VAABOBZKULWDKU-QWRGUYRKSA-N 1 0 361.389 2.182 20 30 FEEDRO N#Cc1sc(NC(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)nc1Cl ZINC000931724482 684337057 /nfs/dbraw/zinc/33/70/57/684337057.db2.gz HXANUVRTUZDOQR-SNVBAGLBSA-N 1 0 355.851 2.043 20 30 FEEDRO N#CC1(C[C@H](O)C[N@@H+]2CC[C@@]3(CC(F)(F)C3(F)F)C2)CCOCC1 ZINC000931908763 684368325 /nfs/dbraw/zinc/36/83/25/684368325.db2.gz BWAVUCBSYVBIFW-GXTWGEPZSA-N 1 0 350.356 2.424 20 30 FEEDRO COc1cc(NC(=O)N[C@H]2CCC[N@@H+]3CCSC[C@@H]23)c(F)cc1C#N ZINC000931983721 684382260 /nfs/dbraw/zinc/38/22/60/684382260.db2.gz JVAADDOYRIUVDU-ZFWWWQNUSA-N 1 0 364.446 2.407 20 30 FEEDRO Cn1ccnc1[C@](O)(CC[NH2+]Cc1cccc(F)c1C#N)C(F)(F)F ZINC000873020288 685051627 /nfs/dbraw/zinc/05/16/27/685051627.db2.gz MNZJIPAERDPSPX-OAHLLOKOSA-N 1 0 356.323 2.361 20 30 FEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N(C)CC(=O)Nc1ccccc1Br ZINC000876555681 686218818 /nfs/dbraw/zinc/21/88/18/686218818.db2.gz CQVNKZUUHMQDDA-LLVKDONJSA-N 1 0 374.666 2.316 20 30 FEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)NC1CCN(C(=O)Nc2ccccc2)CC1 ZINC000876573701 686222375 /nfs/dbraw/zinc/22/23/75/686222375.db2.gz ZPHCKKBEDGPHRF-OAHLLOKOSA-N 1 0 350.850 2.269 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N(CC(N)=O)[C@H](C)c1ccc(CCC)cc1 ZINC000876620008 686229884 /nfs/dbraw/zinc/22/98/84/686229884.db2.gz IREQZIQEKNCJTQ-CJNGLKHVSA-N 1 0 351.878 2.484 20 30 FEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC(n2cc(Br)cn2)CC1 ZINC000876658196 686238059 /nfs/dbraw/zinc/23/80/59/686238059.db2.gz PIKUANVWGLORME-GFCCVEGCSA-N 1 0 361.671 2.279 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H](CC)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000876781416 686267164 /nfs/dbraw/zinc/26/71/64/686267164.db2.gz LAAWVJDSRCWVSK-BZSNNMDCSA-N 1 0 365.905 2.252 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000876894212 686288959 /nfs/dbraw/zinc/28/89/59/686288959.db2.gz MFWODAJAFPRGLP-QWHCGFSZSA-N 1 0 360.216 2.171 20 30 FEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)NCc1ccc(COC2CCOCC2)cc1 ZINC000876894854 686289771 /nfs/dbraw/zinc/28/97/71/686289771.db2.gz XVOQSJYQHKHPAQ-QGZVFWFLSA-N 1 0 352.862 2.468 20 30 FEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)NCc1cccc(COC[C@H]2CCCO2)c1 ZINC000876977894 686304035 /nfs/dbraw/zinc/30/40/35/686304035.db2.gz BXHNTLFKQPSLHO-IAGOWNOFSA-N 1 0 352.862 2.468 20 30 FEEDRO C#CCCCCCC[NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000877017540 686311491 /nfs/dbraw/zinc/31/14/91/686311491.db2.gz HEBHRYJPRCFZCT-UHFFFAOYSA-N 1 0 370.540 2.442 20 30 FEEDRO COC[C@H](NC(=O)C#CC1CC[NH2+]CC1)c1cccc(Br)c1 ZINC000877262967 686345645 /nfs/dbraw/zinc/34/56/45/686345645.db2.gz OYGIQCBINYLGEA-INIZCTEOSA-N 1 0 365.271 2.256 20 30 FEEDRO N#C[C@H](c1cccs1)N1CCN(C(=O)C[N@H+]2CCC[C@H](CF)C2)CC1 ZINC000880237360 687021324 /nfs/dbraw/zinc/02/13/24/687021324.db2.gz VPJKDOLWCFSNIP-HZPDHXFCSA-N 1 0 364.490 2.138 20 30 FEEDRO CC(=O)N1C[C@@H]2C[N@@H+](CC#Cc3ccc(OC(F)(F)F)cc3)C[C@@H]2C1 ZINC000880312308 687032447 /nfs/dbraw/zinc/03/24/47/687032447.db2.gz YGVSNKFBJGIEQI-IYBDPMFKSA-N 1 0 352.356 2.347 20 30 FEEDRO CC1([NH+]2CCC2)CCN(S(=O)(=O)c2c(F)cc(C#N)cc2F)CC1 ZINC000882768527 687479780 /nfs/dbraw/zinc/47/97/80/687479780.db2.gz IIQBKIJYUXCYOU-UHFFFAOYSA-N 1 0 355.410 2.085 20 30 FEEDRO N#Cc1nc(NC(=O)NC2CC[NH+](C3CC3)CC2)ccc1Br ZINC000883077637 687557805 /nfs/dbraw/zinc/55/78/05/687557805.db2.gz PYVWFSSQHQCNBQ-UHFFFAOYSA-N 1 0 364.247 2.464 20 30 FEEDRO N#Cc1nc(NC(=O)NCC[NH+]2CCCCC2)ccc1Br ZINC000883079873 687558720 /nfs/dbraw/zinc/55/87/20/687558720.db2.gz HYBBSTVKHLXEHE-UHFFFAOYSA-N 1 0 352.236 2.323 20 30 FEEDRO C=CCC[C@@H]([NH2+]CC1CCN(S(=O)(=O)C(F)F)CC1)[C@@H]1CCCO1 ZINC000883202667 687586721 /nfs/dbraw/zinc/58/67/21/687586721.db2.gz HTSNIHZVCUOCFU-CABCVRRESA-N 1 0 366.474 2.354 20 30 FEEDRO C#CCN(C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000886577615 688279012 /nfs/dbraw/zinc/27/90/12/688279012.db2.gz PXPPKIAUXBYPIL-UHFFFAOYSA-N 1 0 367.808 2.486 20 30 FEEDRO CN(Cc1cc(C#N)cs1)C(=O)[C@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1 ZINC000887965637 688527616 /nfs/dbraw/zinc/52/76/16/688527616.db2.gz KPXCWSMBEBCPDQ-IRXDYDNUSA-N 1 0 357.483 2.047 20 30 FEEDRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)Nc2nc(Cl)c(C#N)s2)C1 ZINC000888406678 688605684 /nfs/dbraw/zinc/60/56/84/688605684.db2.gz FGQCKNPWPAZTLJ-JTQLQIEISA-N 1 0 357.867 2.146 20 30 FEEDRO N#Cc1sc(NC(=O)N2CC[NH+](CC3CCOCC3)CC2)nc1Cl ZINC000888412222 688607056 /nfs/dbraw/zinc/60/70/56/688607056.db2.gz DBLLFEFLZYCKRA-UHFFFAOYSA-N 1 0 369.878 2.244 20 30 FEEDRO CN1CC[NH+](CCC(C)(C)NC(=O)Nc2nc(Cl)c(C#N)s2)CC1 ZINC000888417626 688608451 /nfs/dbraw/zinc/60/84/51/688608451.db2.gz JVVGUNLJYYFHAV-UHFFFAOYSA-N 1 0 370.910 2.206 20 30 FEEDRO CC#CCS(=O)(=O)c1cccc(C(=O)N(C)CC(C)(C)C[NH+](C)C)c1 ZINC000890889338 688979994 /nfs/dbraw/zinc/97/99/94/688979994.db2.gz SOSRNONBQLCYLM-UHFFFAOYSA-N 1 0 364.511 2.143 20 30 FEEDRO COCC1(CNC(=O)NCc2ccc(SC)c(C#N)c2)CC[NH2+]CC1 ZINC000892114237 689152031 /nfs/dbraw/zinc/15/20/31/689152031.db2.gz VBSPUMWEBLHCBF-UHFFFAOYSA-N 1 0 362.499 2.096 20 30 FEEDRO CC[NH+](CC)CC#C[C@@H](C)OC(=O)c1nn2c(c1Br)CCC2 ZINC000892863800 689255932 /nfs/dbraw/zinc/25/59/32/689255932.db2.gz POAFXNCBTOPKMZ-GFCCVEGCSA-N 1 0 368.275 2.482 20 30 FEEDRO C=CCOc1c(Br)cc(C[NH2+]CC(=O)N(C)OC)cc1OC ZINC000895039526 689646529 /nfs/dbraw/zinc/64/65/29/689646529.db2.gz KBCSPMKRKCTFOV-UHFFFAOYSA-N 1 0 373.247 2.132 20 30 FEEDRO COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@@H]1CCCN(O)C1=O ZINC000895162711 689669850 /nfs/dbraw/zinc/66/98/50/689669850.db2.gz NEQUSCCWOUATJZ-CMPLNLGQSA-N 1 0 355.822 2.036 20 30 FEEDRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2ncc(C#N)s2)[C@H](c2cnn(C)c2)C1 ZINC000896494058 689881035 /nfs/dbraw/zinc/88/10/35/689881035.db2.gz HRUCUOMTLSGEJD-CABCVRRESA-N 1 0 358.471 2.201 20 30 FEEDRO C#CC[N@H+](C[C@@H]1CCCN(C(=O)CNC(=O)OC(C)(C)C)C1)C(C)C ZINC000897171150 689984630 /nfs/dbraw/zinc/98/46/30/689984630.db2.gz RNIDWVQUYSEVGD-INIZCTEOSA-N 1 0 351.491 2.093 20 30 FEEDRO CCOC(=O)C1([C@H](C)[NH2+][C@H](C)CC2(C#N)CCOCC2)CCOCC1 ZINC000897740574 690073290 /nfs/dbraw/zinc/07/32/90/690073290.db2.gz BTTROORYUITXDL-CVEARBPZSA-N 1 0 352.475 2.423 20 30 FEEDRO C[C@@]1(C#N)CN(C(=S)NC2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC000899636088 690394741 /nfs/dbraw/zinc/39/47/41/690394741.db2.gz WZRHRSYKMAQLHW-LJQANCHMSA-N 1 0 358.511 2.140 20 30 FEEDRO C[N@H+](CCO)CCNC(=O)c1ccc(Sc2ccccc2C#N)cc1 ZINC000899735129 690415901 /nfs/dbraw/zinc/41/59/01/690415901.db2.gz XRWSPLKGKHGLBG-UHFFFAOYSA-N 1 0 355.463 2.363 20 30 FEEDRO Cn1nc(C(F)(F)F)cc1CON=C(N)c1ccc(C[NH+](C)C)cc1 ZINC000902717165 690802011 /nfs/dbraw/zinc/80/20/11/690802011.db2.gz LCEHWGFEHCWYMP-UHFFFAOYSA-N 1 0 355.364 2.338 20 30 FEEDRO N#Cc1cc(S(=O)(=O)N2CCC([NH+]3CCC3)CC2)ccc1C(F)(F)F ZINC000903204326 690866248 /nfs/dbraw/zinc/86/62/48/690866248.db2.gz NVRCGVJHHOSULN-UHFFFAOYSA-N 1 0 373.400 2.436 20 30 FEEDRO N#CCCSc1ccccc1NC(=O)C(=O)NC[C@@H]1CCCCC[NH2+]1 ZINC000906736711 691308903 /nfs/dbraw/zinc/30/89/03/691308903.db2.gz VBPMFCSBWMLSIF-AWEZNQCLSA-N 1 0 360.483 2.279 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)N1CCC[C@@H]1c1nc(C(=O)OC)c(C)s1 ZINC000907873864 691575223 /nfs/dbraw/zinc/57/52/23/691575223.db2.gz CSMGIXXLYSDIRY-CYBMUJFWSA-N 1 0 351.472 2.410 20 30 FEEDRO CN(C)c1ccc([C@H](CNS(=O)(=O)CC(C)(C)CC#N)[NH+](C)C)cc1 ZINC000908460823 691683770 /nfs/dbraw/zinc/68/37/70/691683770.db2.gz ZPWKDTXGYSIEHI-KRWDZBQOSA-N 1 0 366.531 2.215 20 30 FEEDRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncc(Cl)nc1C#N)C2 ZINC001164812742 720086473 /nfs/dbraw/zinc/08/64/73/720086473.db2.gz ROASWTDHFIDTJJ-KDOFPFPSSA-N 1 0 361.877 2.186 20 30 FEEDRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2nccc(C#N)c2F)CC1 ZINC001164829693 720318024 /nfs/dbraw/zinc/31/80/24/720318024.db2.gz NBIFGTIDDQFCOK-IRXDYDNUSA-N 1 0 371.460 2.004 20 30 FEEDRO Cc1cnc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c(C#N)n1 ZINC001164903825 721548952 /nfs/dbraw/zinc/54/89/52/721548952.db2.gz DCBPLXZOWGHIQH-NVXWUHKLSA-N 1 0 353.401 2.138 20 30 FEEDRO Cc1ccc(C#N)c(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164982310 722106103 /nfs/dbraw/zinc/10/61/03/722106103.db2.gz NKMIKTUPVATYIY-UXHICEINSA-N 1 0 363.465 2.384 20 30 FEEDRO N#Cc1ccc(NCC(=O)NCC2CC[NH+](Cc3cccs3)CC2)nc1 ZINC000497872347 883804268 /nfs/dbraw/zinc/80/42/68/883804268.db2.gz VNYHJAOCMLWALV-UHFFFAOYSA-N 1 0 369.494 2.455 20 30 FEEDRO N#CCc1ccc(OC[C@H](O)C[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000025865803 539770922 /nfs/dbraw/zinc/77/09/22/539770922.db2.gz DGWHXXYGRWBGMX-HXUWFJFHSA-N 1 0 351.450 2.315 20 30 FEEDRO C[C@@H]([NH2+][C@@H](C)C(=O)NC1(C#N)CCCCC1)c1ccc2c(c1)NC(=O)CO2 ZINC000027034728 539799658 /nfs/dbraw/zinc/79/96/58/539799658.db2.gz HDEDHIHAUFPYLQ-KGLIPLIRSA-N 1 0 370.453 2.399 20 30 FEEDRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000076269260 542252917 /nfs/dbraw/zinc/25/29/17/542252917.db2.gz UMJYUWUUNDUMOA-NSHDSACASA-N 1 0 370.375 2.362 20 30 FEEDRO C[C@@H]1CCC[N@H+](CCCCNC(=O)C(=O)Nc2cccc(OCC#N)c2)C1 ZINC000041789194 540032853 /nfs/dbraw/zinc/03/28/53/540032853.db2.gz FPFAVLQLVBJQKP-MRXNPFEDSA-N 1 0 372.469 2.156 20 30 FEEDRO Cc1cccc(N2CC[NH+](CCCCNC(=O)CSCC#N)CC2)c1 ZINC000041867658 540036988 /nfs/dbraw/zinc/03/69/88/540036988.db2.gz MNKUALYOFGQNJA-UHFFFAOYSA-N 1 0 360.527 2.270 20 30 FEEDRO CC[NH+]1CCC(NC(=O)N2CCN(c3cccc(F)c3C#N)CC2)CC1 ZINC000043292445 540096946 /nfs/dbraw/zinc/09/69/46/540096946.db2.gz LMEDZLKOTBYYOB-UHFFFAOYSA-N 1 0 359.449 2.013 20 30 FEEDRO CC1CC[NH+]([C@H](CNS(=O)(=O)N(C)CCC#N)c2cccs2)CC1 ZINC000045797526 540228541 /nfs/dbraw/zinc/22/85/41/540228541.db2.gz OZFUNRDJWMHESE-OAHLLOKOSA-N 1 0 370.544 2.201 20 30 FEEDRO COc1cccc([C@H](CNC(=O)COc2ccccc2C#N)[NH+](C)C)c1 ZINC000046708059 540267378 /nfs/dbraw/zinc/26/73/78/540267378.db2.gz PPOGHIGVJBVXND-SFHVURJKSA-N 1 0 353.422 2.365 20 30 FEEDRO C=CCN1C(=O)c2ccc(C(=O)NC[C@H](C)[N@@H+]3CCCC[C@@H]3C)cc2C1=O ZINC000046593539 540263168 /nfs/dbraw/zinc/26/31/68/540263168.db2.gz UMFFPFXLHYEHAM-GJZGRUSLSA-N 1 0 369.465 2.461 20 30 FEEDRO CC(=O)c1cc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)n(C)c1 ZINC000047011277 540284583 /nfs/dbraw/zinc/28/45/83/540284583.db2.gz OKXJEXWQCANBJQ-UHFFFAOYSA-N 1 0 352.438 2.303 20 30 FEEDRO C[NH+]1CCN(Cc2ccc(CNC(=O)c3sccc3C#N)cc2)CC1 ZINC000052147960 540455390 /nfs/dbraw/zinc/45/53/90/540455390.db2.gz HHPJSYFVGQIUDM-UHFFFAOYSA-N 1 0 354.479 2.297 20 30 FEEDRO CCCCCNC(=O)C1CC[NH+](CC(=O)N(CC)C[C@H](C)C#N)CC1 ZINC000052723664 540485524 /nfs/dbraw/zinc/48/55/24/540485524.db2.gz BCTGRTAQZDUYQS-MRXNPFEDSA-N 1 0 350.507 2.013 20 30 FEEDRO CC(C)(C)CC(=O)NCC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000053179219 540515515 /nfs/dbraw/zinc/51/55/15/540515515.db2.gz XHIXYSYQHKSTPJ-UHFFFAOYSA-N 1 0 370.497 2.145 20 30 FEEDRO CC[N@H+](C[C@H](O)COc1ccc(C#N)cc1)C[C@@H]1COc2ccccc2O1 ZINC000053403219 540532019 /nfs/dbraw/zinc/53/20/19/540532019.db2.gz LKJZTZQOSHSQIQ-PKOBYXMFSA-N 1 0 368.433 2.460 20 30 FEEDRO C[C@H]1CCCN(C(=O)CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000055172349 540632787 /nfs/dbraw/zinc/63/27/87/540632787.db2.gz XNQFCRSRWBDRKH-SFHVURJKSA-N 1 0 354.498 2.324 20 30 FEEDRO Cc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000057677615 540807742 /nfs/dbraw/zinc/80/77/42/540807742.db2.gz DCHSJRJEJMOOMZ-LZWOXQAQSA-N 1 0 356.470 2.288 20 30 FEEDRO N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CCCN(CC(F)(F)F)CC2)cc1 ZINC000058578118 540850150 /nfs/dbraw/zinc/85/01/50/540850150.db2.gz OQOBWOHHBWHOPK-INIZCTEOSA-N 1 0 371.403 2.062 20 30 FEEDRO Cc1cc(=NC(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)[nH]n1CCC#N ZINC000538616768 540873678 /nfs/dbraw/zinc/87/36/78/540873678.db2.gz XMFALOHRCOLEKJ-QGZVFWFLSA-N 1 0 354.458 2.400 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCN(CC(F)F)CC1)C(C)C ZINC000061864839 541140622 /nfs/dbraw/zinc/14/06/22/541140622.db2.gz DSAAQTQLNWTTEY-MRXNPFEDSA-N 1 0 358.477 2.277 20 30 FEEDRO C[N@H+](CCCNC(=O)C(=O)Nc1cccc(OCC#N)c1)C1CCCCC1 ZINC000062128027 541145239 /nfs/dbraw/zinc/14/52/39/541145239.db2.gz FZBYYRYGYWDWPP-UHFFFAOYSA-N 1 0 372.469 2.298 20 30 FEEDRO CC1CC[NH+](C[C@@H](O)CNC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000067537227 541476386 /nfs/dbraw/zinc/47/63/86/541476386.db2.gz LIZIKXKZIBDDMX-HNNXBMFYSA-N 1 0 350.850 2.426 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1cccc(NC(=O)[C@H]2CCCO2)c1 ZINC000068225673 541565638 /nfs/dbraw/zinc/56/56/38/541565638.db2.gz PRNTXFZEWOVPHT-GOSISDBHSA-N 1 0 372.469 2.112 20 30 FEEDRO CCc1nc(CON=C(N)c2ccccc2C[NH+]2CCC(O)CC2)cs1 ZINC000068776676 541626324 /nfs/dbraw/zinc/62/63/24/541626324.db2.gz YXMJSPWISZOQTM-UHFFFAOYSA-N 1 0 374.510 2.499 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000069111951 541658355 /nfs/dbraw/zinc/65/83/55/541658355.db2.gz SFUCMXYWVFDETC-SFHVURJKSA-N 1 0 356.470 2.132 20 30 FEEDRO N#Cc1ccc(SCC(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000069710259 541706976 /nfs/dbraw/zinc/70/69/76/541706976.db2.gz NBAYKLRUZSXXGZ-QGZVFWFLSA-N 1 0 359.495 2.221 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CC[NH+]([C@@H](CC)CO)CC1 ZINC000072798026 541867154 /nfs/dbraw/zinc/86/71/54/541867154.db2.gz IQYPQLWPLRSVBH-SJORKVTESA-N 1 0 365.543 2.040 20 30 FEEDRO CC[NH+](CC)CCSCC(=O)N1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000072830984 541875633 /nfs/dbraw/zinc/87/56/33/541875633.db2.gz VBKOURSYCSTJMD-LJQANCHMSA-N 1 0 374.554 2.470 20 30 FEEDRO CN(Cc1cccc(C#N)c1)C(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000072882083 541888707 /nfs/dbraw/zinc/88/87/07/541888707.db2.gz CTFGACCFMNKFNW-UHFFFAOYSA-N 1 0 363.465 2.124 20 30 FEEDRO NC(=[NH+]OCc1ccccc1[N+](=O)[O-])c1ccc(N2CCC(O)CC2)cc1 ZINC000072921399 541893865 /nfs/dbraw/zinc/89/38/65/541893865.db2.gz ICPDPUJWFUANDC-UHFFFAOYSA-N 1 0 370.409 2.393 20 30 FEEDRO CN1CCC(CNC(=O)NCc2cccc(C#N)c2)([NH+]2CCCCC2)CC1 ZINC000073629825 541977653 /nfs/dbraw/zinc/97/76/53/541977653.db2.gz XEUWRSQRKLFPET-UHFFFAOYSA-N 1 0 369.513 2.308 20 30 FEEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(CCc2ccc(O)cc2)CC1 ZINC000073893784 542011819 /nfs/dbraw/zinc/01/18/19/542011819.db2.gz RGAVGRQGAYQVPS-OAHLLOKOSA-N 1 0 359.470 2.437 20 30 FEEDRO COc1cc(/C=C/C(=O)N2CC[C@@H]3CC[C@H](C2)[N@@H+]3C)ccc1OCC#N ZINC000073991701 542023030 /nfs/dbraw/zinc/02/30/30/542023030.db2.gz MKBXARIDHXHDQI-ACISRZNPSA-N 1 0 355.438 2.306 20 30 FEEDRO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[NH+]1CCC2(CNC(=O)C2)CC1 ZINC000075014074 542144476 /nfs/dbraw/zinc/14/44/76/542144476.db2.gz JFYIVQAQHZRDGU-HNNXBMFYSA-N 1 0 372.444 2.063 20 30 FEEDRO COCC[N@H+](C)CCOc1cccc(CNC(=O)c2cccc(C#N)c2)c1 ZINC000075579313 542189952 /nfs/dbraw/zinc/18/99/52/542189952.db2.gz HKYZOFJHFFEDCB-UHFFFAOYSA-N 1 0 367.449 2.445 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccccc2CC(F)(F)F)CC1 ZINC000076512706 542287839 /nfs/dbraw/zinc/28/78/39/542287839.db2.gz YSBPSIMFEIOZSL-UHFFFAOYSA-N 1 0 369.387 2.497 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(C)c3ncccc23)CC1 ZINC000076526459 542288853 /nfs/dbraw/zinc/28/88/53/542288853.db2.gz KXWDIZOZSZPVNP-UHFFFAOYSA-N 1 0 352.438 2.248 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000076513099 542288521 /nfs/dbraw/zinc/28/85/21/542288521.db2.gz AYHKEWYPXAKKRJ-UHFFFAOYSA-N 1 0 355.360 2.411 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(N3CCCCC3)cc2)CC1 ZINC000076526478 542289229 /nfs/dbraw/zinc/28/92/29/542289229.db2.gz ZPQYQWSHYJINEM-UHFFFAOYSA-N 1 0 370.497 2.382 20 30 FEEDRO C=C(C)COc1cccc(NC(=O)C(=O)N2CC[C@H](C[N@@H+](C)CC)C2)c1 ZINC000076673603 542311512 /nfs/dbraw/zinc/31/15/12/542311512.db2.gz VYXWTVUSBJNVQT-MRXNPFEDSA-N 1 0 359.470 2.380 20 30 FEEDRO C[C@H](Oc1ccc(Br)cc1)C(=O)NC1(C#N)CC[NH+](C)CC1 ZINC000077037673 542342685 /nfs/dbraw/zinc/34/26/85/542342685.db2.gz JHQBXDKFZOGHJV-LBPRGKRZSA-N 1 0 366.259 2.321 20 30 FEEDRO COc1ccc(C#N)cc1NC(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000077438153 542381891 /nfs/dbraw/zinc/38/18/91/542381891.db2.gz ZQDNCNOAQWHTPA-UHFFFAOYSA-N 1 0 358.442 2.143 20 30 FEEDRO C[C@H](NC(=O)CC[NH+]1CCN(c2ccccn2)CC1)c1ccc(C#N)cc1 ZINC000078030101 542437556 /nfs/dbraw/zinc/43/75/56/542437556.db2.gz KQXNYRYEDZGQES-KRWDZBQOSA-N 1 0 363.465 2.343 20 30 FEEDRO C[N@H+](C[C@H](O)COc1ccc(CC#N)cc1)C[C@@H]1COc2ccccc2O1 ZINC000078778075 542480561 /nfs/dbraw/zinc/48/05/61/542480561.db2.gz POHAJRWLJOHJDR-PKOBYXMFSA-N 1 0 368.433 2.264 20 30 FEEDRO C[C@H](c1cccc(N2CCCS2(=O)=O)c1)[N@@H+](C)CCO[C@@H](C)C#N ZINC000801946950 674156413 /nfs/dbraw/zinc/15/64/13/674156413.db2.gz QTECGYNMMVRKIY-LSDHHAIUSA-N 1 0 351.472 2.148 20 30 FEEDRO CN1CC[NH+](C[C@@H]2CCCN(C(=O)c3cccc(SCC#N)c3)C2)CC1 ZINC000079541263 542525378 /nfs/dbraw/zinc/52/53/78/542525378.db2.gz YSKJVKURJVNFNH-KRWDZBQOSA-N 1 0 372.538 2.402 20 30 FEEDRO CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCC(C(=O)N2CCCCCC2)CC1 ZINC000079900073 542548900 /nfs/dbraw/zinc/54/89/00/542548900.db2.gz LKNMTCPGUWVBMA-KRWDZBQOSA-N 1 0 362.518 2.109 20 30 FEEDRO N#Cc1ccc(N2CCN(C(=O)[C@H]3C[C@H]4CCCC[N@@H+]4C3)CC2)c(F)c1 ZINC000080621878 542597721 /nfs/dbraw/zinc/59/77/21/542597721.db2.gz UKCXJGMYWXOETL-DLBZAZTESA-N 1 0 356.445 2.220 20 30 FEEDRO C=C(C)COc1cccc(NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000081171718 542637170 /nfs/dbraw/zinc/63/71/70/542637170.db2.gz PYLLWJHPMPBFQR-SJORKVTESA-N 1 0 357.454 2.275 20 30 FEEDRO N#CCOc1cccc(NC(=O)CC[NH+]2CCN(c3ccccn3)CC2)c1 ZINC000081263818 542643186 /nfs/dbraw/zinc/64/31/86/542643186.db2.gz AJPUPLVNFZMKLV-UHFFFAOYSA-N 1 0 365.437 2.135 20 30 FEEDRO [NH2+]=C(NC[C@@H]1CCN(CC(F)(F)F)C1)N[C@@H]1CCOc2ccccc21 ZINC000083032146 542690121 /nfs/dbraw/zinc/69/01/21/542690121.db2.gz AEAUWNCWIPPCAM-GXTWGEPZSA-N 1 0 356.392 2.299 20 30 FEEDRO CCCCNC(=O)C1([NH2+]CC(=O)N[C@](C)(C#N)C(C)C)CCCCC1 ZINC000085907213 542733965 /nfs/dbraw/zinc/73/39/65/542733965.db2.gz UVPWYXLWYZPQEC-GOSISDBHSA-N 1 0 350.507 2.250 20 30 FEEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1CCC[C@H]([C@@H](C)O)C1 ZINC000089931536 542775473 /nfs/dbraw/zinc/77/54/73/542775473.db2.gz NMPODYQEPUJJPK-BBWFWOEESA-N 1 0 359.470 2.423 20 30 FEEDRO [NH2+]=C(NC[C@@H]1CN2CCCC[C@@H]2CO1)Nc1ccccc1OC(F)(F)F ZINC000090064905 542781695 /nfs/dbraw/zinc/78/16/95/542781695.db2.gz DLEDRHBOJNQJKS-CHWSQXEVSA-N 1 0 372.391 2.374 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)Nc1cccnc1Cl)C(C)C ZINC000091194441 542797707 /nfs/dbraw/zinc/79/77/07/542797707.db2.gz UKGNJVNHOVDEQM-HNNXBMFYSA-N 1 0 364.877 2.488 20 30 FEEDRO COc1ccc([C@H](C)[N@H+](C)CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)cc1 ZINC000091515363 542811798 /nfs/dbraw/zinc/81/17/98/542811798.db2.gz YAMZDMFNPBOUGR-FXAWDEMLSA-N 1 0 372.513 2.380 20 30 FEEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(OCc2ccccc2F)CC1 ZINC000091865100 542829289 /nfs/dbraw/zinc/82/92/89/542829289.db2.gz UYKOJJBGMRSVIV-AWEZNQCLSA-N 1 0 363.433 2.207 20 30 FEEDRO C[N@@H+]1CCC[C@H](CNC(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)C1 ZINC000092239761 542851390 /nfs/dbraw/zinc/85/13/90/542851390.db2.gz QSWRJXSXWFGFTH-WWDZGPRUSA-N 1 0 371.485 2.284 20 30 FEEDRO C[C@H](C#N)Oc1ccc(C[NH+]2CCC(NC(=O)c3cnn(C)c3)CC2)cc1 ZINC000092074213 542843810 /nfs/dbraw/zinc/84/38/10/542843810.db2.gz SDKVWSBEROCBIW-OAHLLOKOSA-N 1 0 367.453 2.105 20 30 FEEDRO CN(C1CC[NH+](Cc2cccc(OCCCC#N)c2)CC1)S(C)(=O)=O ZINC000092529922 542869170 /nfs/dbraw/zinc/86/91/70/542869170.db2.gz XZGPHWOOHZIRTN-UHFFFAOYSA-N 1 0 365.499 2.225 20 30 FEEDRO CN(CCC#N)C(=O)CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000092799792 542888064 /nfs/dbraw/zinc/88/80/64/542888064.db2.gz VBZPRHBKFDKCKB-CVEARBPZSA-N 1 0 364.490 2.222 20 30 FEEDRO CN(CCC#N)c1ccc(C[NH+]2CCC(N3CCCNC3=O)CC2)cc1 ZINC000093669391 542938155 /nfs/dbraw/zinc/93/81/55/542938155.db2.gz OWRXXCJFNUMNQG-UHFFFAOYSA-N 1 0 355.486 2.416 20 30 FEEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH2+]CC1(c2ccccc2C)CCOCC1 ZINC000098123357 543022872 /nfs/dbraw/zinc/02/28/72/543022872.db2.gz CKMAJPKFBFYTPW-INIZCTEOSA-N 1 0 359.470 2.033 20 30 FEEDRO C[C@H]1CCC[N@H+](CCNC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)C1 ZINC000101607847 543036919 /nfs/dbraw/zinc/03/69/19/543036919.db2.gz DJSVPPGDOYXLBI-INIZCTEOSA-N 1 0 373.476 2.261 20 30 FEEDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNS(=O)(=O)c2ccc(F)c(C#N)c2)C1 ZINC000103156836 543095769 /nfs/dbraw/zinc/09/57/69/543095769.db2.gz VCNWYQQPBYRCEA-CYBMUJFWSA-N 1 0 353.463 2.486 20 30 FEEDRO N#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)cc1 ZINC000103466755 543108704 /nfs/dbraw/zinc/10/87/04/543108704.db2.gz GGKXIGJXVBWTST-MRXNPFEDSA-N 1 0 364.453 2.304 20 30 FEEDRO COc1cccc(NC(=[NH2+])NC[C@@H]2CN(Cc3ccccc3)CCO2)c1 ZINC000104154548 543125442 /nfs/dbraw/zinc/12/54/42/543125442.db2.gz HOJTWYOTFIIXKA-LJQANCHMSA-N 1 0 354.454 2.323 20 30 FEEDRO COc1ccnc(N2CC[NH+](CCC(=O)Nc3ccccc3C#N)CC2)c1 ZINC000104717649 543138322 /nfs/dbraw/zinc/13/83/22/543138322.db2.gz PROAEVSKZPMFCP-UHFFFAOYSA-N 1 0 365.437 2.113 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(F)c(-n3nnnc3C)c2)CC1 ZINC000106325445 543222992 /nfs/dbraw/zinc/22/29/92/543222992.db2.gz IAVHNCMKEXUESH-UHFFFAOYSA-N 1 0 373.436 2.272 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CSCN2C(=O)CC(C)(C)C)CC1 ZINC000106361115 543225703 /nfs/dbraw/zinc/22/57/03/543225703.db2.gz KWDYEWBONUSIQX-INIZCTEOSA-N 1 0 367.559 2.481 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cccc(N3CCCC3)c2)CC1 ZINC000106349047 543224889 /nfs/dbraw/zinc/22/48/89/543224889.db2.gz QBTUVVZUBQJMRT-UHFFFAOYSA-N 1 0 370.497 2.382 20 30 FEEDRO CCC[NH+]1CCC(NC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)CC1 ZINC000107326946 543266385 /nfs/dbraw/zinc/26/63/85/543266385.db2.gz BWFAPVYHUYICPJ-UHFFFAOYSA-N 1 0 373.476 2.403 20 30 FEEDRO C=CCN1C(=O)c2ccc(C(=O)N3CCC[C@@H]([NH+]4CCCC4)C3)cc2C1=O ZINC000107600813 543273453 /nfs/dbraw/zinc/27/34/53/543273453.db2.gz MCGOFWKMOVMOGA-MRXNPFEDSA-N 1 0 367.449 2.169 20 30 FEEDRO C#CCOc1cccc(NC(=O)C(=O)NCCC[NH+]2CCCCCC2)c1 ZINC000108604753 543297358 /nfs/dbraw/zinc/29/73/58/543297358.db2.gz AWUYMXUQRZKKAH-UHFFFAOYSA-N 1 0 357.454 2.019 20 30 FEEDRO C[N@@H+]1CCC[C@@H](CNC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)C1 ZINC000108587245 543296064 /nfs/dbraw/zinc/29/60/64/543296064.db2.gz IHLOBCRDSNRAOS-KRWDZBQOSA-N 1 0 356.470 2.453 20 30 FEEDRO COc1ccc([C@@H](CNC(=O)C2(C#N)CCOCC2)[NH+]2CCCC2)cc1 ZINC000109138188 543315503 /nfs/dbraw/zinc/31/55/03/543315503.db2.gz BLMUNRJHLPORJA-GOSISDBHSA-N 1 0 357.454 2.269 20 30 FEEDRO N#Cc1ccccc1N1CCC[C@H](NC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000109165878 543316362 /nfs/dbraw/zinc/31/63/62/543316362.db2.gz ICHSXTNOWADYFJ-SFHVURJKSA-N 1 0 367.497 2.453 20 30 FEEDRO CC(C)[N@H+](CCOc1ccc(S(N)(=O)=O)cc1)Cc1ccc(C#N)cc1 ZINC000109405472 543323944 /nfs/dbraw/zinc/32/39/44/543323944.db2.gz BOYNRAWLCFDYAE-UHFFFAOYSA-N 1 0 373.478 2.495 20 30 FEEDRO CC(C)C(=O)NC[C@@H]1CCC[N@H+](CC(=O)N(C)C2(C#N)CCCCC2)C1 ZINC000110267876 543353647 /nfs/dbraw/zinc/35/36/47/543353647.db2.gz FGZLZEFHBPCJCB-KRWDZBQOSA-N 1 0 362.518 2.155 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CCN(c3ccccc3F)C2=O)CC1 ZINC000112391324 543444815 /nfs/dbraw/zinc/44/48/15/543444815.db2.gz MROPREXZLCLQHE-QGZVFWFLSA-N 1 0 374.460 2.271 20 30 FEEDRO CCOc1ccc(C2(C[NH2+][C@@H](C)C(=O)N(C)CCC#N)CCOCC2)cc1 ZINC000112535175 543450644 /nfs/dbraw/zinc/45/06/44/543450644.db2.gz LTLONLWVYXQSSI-KRWDZBQOSA-N 1 0 373.497 2.484 20 30 FEEDRO COc1ccc(C2(C[NH2+][C@H](C)C(=O)N(C)CCC#N)CCOCC2)cc1 ZINC000112535325 543450774 /nfs/dbraw/zinc/45/07/74/543450774.db2.gz WMYRXEGAVOGJTO-MRXNPFEDSA-N 1 0 359.470 2.094 20 30 FEEDRO C[C@@H]([NH2+]C1(CNC(=O)C2(C#N)CCOCC2)CCOCC1)c1ccccc1 ZINC000113236553 543479460 /nfs/dbraw/zinc/47/94/60/543479460.db2.gz LDRPOUZMHIYSMC-QGZVFWFLSA-N 1 0 371.481 2.323 20 30 FEEDRO C[C@@H](CNC(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1)C[NH+]1CCCC1 ZINC000114589862 543525024 /nfs/dbraw/zinc/52/50/24/543525024.db2.gz KMEAIZJDMZHLGE-AZUAARDMSA-N 1 0 369.513 2.138 20 30 FEEDRO CCC(CC)C[N@H+](CC)CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 ZINC000114725663 543532589 /nfs/dbraw/zinc/53/25/89/543532589.db2.gz KHAJOZRAFMCCJL-UHFFFAOYSA-N 1 0 361.490 2.261 20 30 FEEDRO COc1ccc([C@H]2[C@@H](CNS(=O)(=O)CCCC#N)CCC[N@@H+]2C)cc1 ZINC000115587871 543576382 /nfs/dbraw/zinc/57/63/82/543576382.db2.gz GBUUUQUHTLICRB-AEFFLSMTSA-N 1 0 365.499 2.301 20 30 FEEDRO N#Cc1ccc([C@@H](NC2CC[NH+](Cc3ccc(F)cc3)CC2)C(N)=O)cc1 ZINC000115597586 543577480 /nfs/dbraw/zinc/57/74/80/543577480.db2.gz ZJCBPPUVIKOVNI-HXUWFJFHSA-N 1 0 366.440 2.478 20 30 FEEDRO N#Cc1ccc([C@H](NC2CC[NH+](Cc3ccc(F)cc3)CC2)C(N)=O)cc1 ZINC000115597585 543577712 /nfs/dbraw/zinc/57/77/12/543577712.db2.gz ZJCBPPUVIKOVNI-FQEVSTJZSA-N 1 0 366.440 2.478 20 30 FEEDRO Cc1ccc(C=NNC(=S)NCCC[NH+](C)C)c(-c2cnn(C)c2)c1 ZINC000802711105 674192368 /nfs/dbraw/zinc/19/23/68/674192368.db2.gz IHDBGUGIRAKDQU-UHFFFAOYSA-N 1 0 358.515 2.145 20 30 FEEDRO CC1CCC([NH+]2CCN(C(=O)C(=O)Nc3cccc(C#N)c3)CC2)CC1 ZINC000115890681 543593169 /nfs/dbraw/zinc/59/31/69/543593169.db2.gz LPTMZKLHHMUNBW-UHFFFAOYSA-N 1 0 354.454 2.220 20 30 FEEDRO C=CCN(CC=C)C(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000117061199 543622371 /nfs/dbraw/zinc/62/23/71/543622371.db2.gz MPQGPSIRBAJCRE-UHFFFAOYSA-N 1 0 365.861 2.420 20 30 FEEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000118101899 543645692 /nfs/dbraw/zinc/64/56/92/543645692.db2.gz XWOVQZGXXXFAAB-XJKSGUPXSA-N 1 0 374.510 2.333 20 30 FEEDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)Nc1ccccc1SCCC#N ZINC000119298727 543665788 /nfs/dbraw/zinc/66/57/88/543665788.db2.gz KTRXHHYOBXTAGY-HOCLYGCPSA-N 1 0 374.510 2.429 20 30 FEEDRO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCC[C@H](Cn2ccnn2)C1 ZINC000119881159 543673093 /nfs/dbraw/zinc/67/30/93/543673093.db2.gz GCXQEECJPWTLAR-MSOLQXFVSA-N 1 0 366.469 2.325 20 30 FEEDRO N#CCN1CCC(CNC(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC000122883862 543729917 /nfs/dbraw/zinc/72/99/17/543729917.db2.gz RVJQWXLDSSUFMU-HXUWFJFHSA-N 1 0 354.498 2.393 20 30 FEEDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)C1 ZINC000121971369 543702155 /nfs/dbraw/zinc/70/21/55/543702155.db2.gz VRKRVDWZZOHGTM-YJBOKZPZSA-N 1 0 368.481 2.369 20 30 FEEDRO C[C@H]1C[C@H](N(C)CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CC[N@@H+]1C ZINC000123662827 543775692 /nfs/dbraw/zinc/77/56/92/543775692.db2.gz MEKLWTSBHJVAAS-MAUKXSAKSA-N 1 0 366.469 2.097 20 30 FEEDRO C=CCOc1cccc(NC(=O)C(=O)NC2CC[NH+](CC(C)C)CC2)c1 ZINC000124222472 543808023 /nfs/dbraw/zinc/80/80/23/543808023.db2.gz XLRMOYOMUVTUMC-UHFFFAOYSA-N 1 0 359.470 2.427 20 30 FEEDRO O=C(C#Cc1ccc2c(c1)OCO2)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000126552320 543942982 /nfs/dbraw/zinc/94/29/82/543942982.db2.gz NDUINDVUACONTL-AEFFLSMTSA-N 1 0 352.434 2.242 20 30 FEEDRO C[N@@H+]1CCC[C@H]2CN(S(=O)(=O)c3cccc(Cl)c3C#N)CC[C@@H]21 ZINC000126881597 543961701 /nfs/dbraw/zinc/96/17/01/543961701.db2.gz UFUMQZOVZUFPNR-WFASDCNBSA-N 1 0 353.875 2.316 20 30 FEEDRO C=CCNc1ncc(C(=O)N2CCN(c3cc(OC)cc[nH+]3)CC2)s1 ZINC000128680496 544066240 /nfs/dbraw/zinc/06/62/40/544066240.db2.gz GBPJVPNQSXYGAO-UHFFFAOYSA-N 1 0 359.455 2.107 20 30 FEEDRO CN(CCCn1ccnc1)C(=O)C(=O)Nc1ccccc1SCCC#N ZINC000129926921 544131770 /nfs/dbraw/zinc/13/17/70/544131770.db2.gz VNPGUVFURXCJAK-UHFFFAOYSA-N 1 0 371.466 2.376 20 30 FEEDRO CC(C)OC[C@H](O)C[NH+]1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000131288375 544184298 /nfs/dbraw/zinc/18/42/98/544184298.db2.gz OUHHOJFCMPBCMI-QGZVFWFLSA-N 1 0 354.454 2.014 20 30 FEEDRO N#CCCN(CCC#N)C(=O)C[N@H+]1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000134791829 544321508 /nfs/dbraw/zinc/32/15/08/544321508.db2.gz QEPMONXCCHGHOW-RTBURBONSA-N 1 0 372.444 2.370 20 30 FEEDRO CCOc1ccnc(N2CCC[N@H+](CCOc3ccccc3C#N)CC2)n1 ZINC000135768699 544360619 /nfs/dbraw/zinc/36/06/19/544360619.db2.gz XBLWTSMNHLAXJX-UHFFFAOYSA-N 1 0 367.453 2.338 20 30 FEEDRO CC[NH+]1CCC(n2nccc2NC(=O)C#Cc2ccc3c(c2)OCO3)CC1 ZINC000135815752 544361667 /nfs/dbraw/zinc/36/16/67/544361667.db2.gz YILVGQGOAABMTQ-UHFFFAOYSA-N 1 0 366.421 2.259 20 30 FEEDRO N#Cc1ccc(CNC(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)cc1 ZINC000137131711 544385255 /nfs/dbraw/zinc/38/52/55/544385255.db2.gz LATQZXGNYZXCAN-RBUKOAKNSA-N 1 0 356.470 2.125 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)NC2CCN(c3ccccc3OC)CC2)CC1 ZINC000138584046 544397159 /nfs/dbraw/zinc/39/71/59/544397159.db2.gz VWYUJHIFFWLZJQ-UHFFFAOYSA-N 1 0 355.482 2.125 20 30 FEEDRO N#Cc1ccc(CSCC(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)cc1 ZINC000136965401 544381894 /nfs/dbraw/zinc/38/18/94/544381894.db2.gz FTUZMARVSPXVFB-GOSISDBHSA-N 1 0 373.522 2.409 20 30 FEEDRO C[C@@H](C(=O)NCCC1=CCCCC1)[N@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000153265455 544754062 /nfs/dbraw/zinc/75/40/62/544754062.db2.gz UZFYDKVZTBWIGI-AWEZNQCLSA-N 1 0 358.490 2.123 20 30 FEEDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)Nc1cccc(C#N)c1 ZINC000153176268 544742385 /nfs/dbraw/zinc/74/23/85/544742385.db2.gz CZGFQAHPRNWXCP-BEFAXECRSA-N 1 0 362.433 2.133 20 30 FEEDRO CS(=O)(=O)N[C@H]1CCC[C@@H]1C[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000154331875 544892974 /nfs/dbraw/zinc/89/29/74/544892974.db2.gz LJCRWDVLHLTHIA-AEFFLSMTSA-N 1 0 365.499 2.177 20 30 FEEDRO CC(C)[C@H](C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)N1CCOCC1 ZINC000181427462 327730275 /nfs/dbraw/zinc/73/02/75/327730275.db2.gz DPIVWPASQMJELP-QFIPXVFZSA-N 1 0 370.541 2.469 20 30 FEEDRO C[NH+](C)CC1(CNC(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)CCCC1 ZINC000183346468 327812726 /nfs/dbraw/zinc/81/27/26/327812726.db2.gz HHIAICVSPWOBNZ-UHFFFAOYSA-N 1 0 362.861 2.388 20 30 FEEDRO CN1CC[NH+]([C@@H]2CCCCN(C(=O)C3(c4ccc(C#N)cc4)CC3)C2)CC1 ZINC000187495606 328029875 /nfs/dbraw/zinc/02/98/75/328029875.db2.gz FUKYZWNXWOHCTP-HXUWFJFHSA-N 1 0 366.509 2.218 20 30 FEEDRO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000188672778 328103328 /nfs/dbraw/zinc/10/33/28/328103328.db2.gz VGJKSBVIZSMIOZ-QFBILLFUSA-N 1 0 373.497 2.265 20 30 FEEDRO Cc1nc(C#N)c(N2CCC(C(=O)NCC[N@H+]3CCCC[C@@H]3C)CC2)o1 ZINC000189107722 328129174 /nfs/dbraw/zinc/12/91/74/328129174.db2.gz SDNCPOCDUIGPDV-AWEZNQCLSA-N 1 0 359.474 2.062 20 30 FEEDRO CCCN(CCC[NH+](C)C)C(=O)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000189278463 328138564 /nfs/dbraw/zinc/13/85/64/328138564.db2.gz SHLSYYXGUHJZFH-UHFFFAOYSA-N 1 0 350.850 2.340 20 30 FEEDRO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C(N)=O)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000189492955 328151361 /nfs/dbraw/zinc/15/13/61/328151361.db2.gz WOKJUIIQLMDBKG-VHRBIJSZSA-N 1 0 360.483 2.069 20 30 FEEDRO Cn1cc(C[NH2+]Cc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1C#N ZINC000190696477 328225509 /nfs/dbraw/zinc/22/55/09/328225509.db2.gz RDSFOEIIMSGQDF-UHFFFAOYSA-N 1 0 372.494 2.361 20 30 FEEDRO Cn1cc(CN2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)cc1C#N ZINC000191240015 328255823 /nfs/dbraw/zinc/25/58/23/328255823.db2.gz OQHJJNKVWFEWFO-UHFFFAOYSA-N 1 0 361.449 2.265 20 30 FEEDRO C[C@@H](NC(=O)C(=O)Nc1ccc(F)c(C#N)c1)[C@@H](c1ccccc1)[NH+](C)C ZINC000191253795 328256755 /nfs/dbraw/zinc/25/67/55/328256755.db2.gz FWNMKYLKVLTHIF-ACJLOTCBSA-N 1 0 368.412 2.443 20 30 FEEDRO N#Cc1ccc(Br)c(C[NH2+][C@H](CC(N)=O)C2CCOCC2)c1 ZINC000191825141 328283952 /nfs/dbraw/zinc/28/39/52/328283952.db2.gz PFUFDVRBBMELRM-OAHLLOKOSA-N 1 0 366.259 2.081 20 30 FEEDRO Cc1nn(C)c2ncc(C[NH2+][C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)cc12 ZINC000192243708 328308841 /nfs/dbraw/zinc/30/88/41/328308841.db2.gz GXIIBTIMVJXWMA-LJQANCHMSA-N 1 0 374.448 2.039 20 30 FEEDRO C[C@H]1C[NH+](Cc2ccc(CNC(=O)c3cc(C#N)cn3C)cc2)C[C@H](C)O1 ZINC000081664296 325191812 /nfs/dbraw/zinc/19/18/12/325191812.db2.gz XFCNIBGGBBZERT-HOTGVXAUSA-N 1 0 366.465 2.436 20 30 FEEDRO N#Cc1ccc2ncc(CNC3CC[NH+]([C@@H]4CCCC[C@H]4O)CC3)n2c1 ZINC000136598732 326653634 /nfs/dbraw/zinc/65/36/34/326653634.db2.gz RIHMODCAWMDXAM-RTBURBONSA-N 1 0 353.470 2.063 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)cn1 ZINC000170655553 327091316 /nfs/dbraw/zinc/09/13/16/327091316.db2.gz FROSOXKKCGNPHS-GOSISDBHSA-N 1 0 356.451 2.069 20 30 FEEDRO CN1CC[NH+](CC2CCN(C(=O)Nc3ccc(F)c(C#N)c3)CC2)CC1 ZINC000171088037 327116868 /nfs/dbraw/zinc/11/68/68/327116868.db2.gz NJABSIFFNCOKEK-UHFFFAOYSA-N 1 0 359.449 2.189 20 30 FEEDRO CCOc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000172373500 327198471 /nfs/dbraw/zinc/19/84/71/327198471.db2.gz HMUFKVUGPILMDU-OAHLLOKOSA-N 1 0 372.469 2.134 20 30 FEEDRO CNC(=O)c1cccc(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)c1 ZINC000173028675 327231398 /nfs/dbraw/zinc/23/13/98/327231398.db2.gz RRBSSTKAURYGHF-UHFFFAOYSA-N 1 0 364.449 2.122 20 30 FEEDRO C[NH+]1CCN([C@H]2CCCCN(C(=O)CSc3ccc(C#N)cc3)C2)CC1 ZINC000173275634 327245945 /nfs/dbraw/zinc/24/59/45/327245945.db2.gz SIXWRLHCYKSECY-SFHVURJKSA-N 1 0 372.538 2.279 20 30 FEEDRO C[C@@H]1C[N@@H+](C2CCN(Cc3nnc(-c4ccc(C#N)cc4)o3)CC2)CCO1 ZINC000173559190 327266623 /nfs/dbraw/zinc/26/66/23/327266623.db2.gz DTIQFDGZVHFRNZ-OAHLLOKOSA-N 1 0 367.453 2.293 20 30 FEEDRO N#Cc1ccc(-c2nnc(CN3CCCC[C@@H]3CN3CCOCC3)o2)cc1 ZINC000174173732 327310531 /nfs/dbraw/zinc/31/05/31/327310531.db2.gz SUBKOWAJTVHLJX-GOSISDBHSA-N 1 0 367.453 2.295 20 30 FEEDRO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccc(F)cc1C#N)c1cccs1 ZINC000175939213 327423011 /nfs/dbraw/zinc/42/30/11/327423011.db2.gz VIYIQMBBVKNFSU-AWEZNQCLSA-N 1 0 360.414 2.116 20 30 FEEDRO N#Cc1cc(Br)cc(S(=O)(=O)NCCC[NH+]2CCCC2)c1 ZINC000175962364 327424502 /nfs/dbraw/zinc/42/45/02/327424502.db2.gz RONHRCNOSJQGMP-UHFFFAOYSA-N 1 0 372.288 2.085 20 30 FEEDRO CN(Cc1ccc(C#N)cc1)C(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C ZINC000177488405 327526112 /nfs/dbraw/zinc/52/61/12/327526112.db2.gz RRABBOUFVGMJQX-UHFFFAOYSA-N 1 0 365.437 2.383 20 30 FEEDRO C[C@@H](NC(=O)N1CC[NH+](CC2CCOCC2)CC1)c1ccc(C#N)cc1 ZINC000265572717 329139898 /nfs/dbraw/zinc/13/98/98/329139898.db2.gz XEYIIIDMSNHCCK-MRXNPFEDSA-N 1 0 356.470 2.373 20 30 FEEDRO C[N@H+](CCC(=O)Nc1ccc(C#N)cc1)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000266871569 329267910 /nfs/dbraw/zinc/26/79/10/329267910.db2.gz QEVRFDCZJIIVNJ-DLBZAZTESA-N 1 0 363.483 2.174 20 30 FEEDRO C[C@H](Oc1ccc(C#N)cc1)C(=O)NCCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000267551948 329337703 /nfs/dbraw/zinc/33/77/03/329337703.db2.gz DFZSNYQDYHPGMN-BBWFWOEESA-N 1 0 359.470 2.331 20 30 FEEDRO C[NH+](C)C1(CNC(=O)C(=O)Nc2ccc(C#N)cc2F)CCCCCC1 ZINC000269325906 329508127 /nfs/dbraw/zinc/50/81/27/329508127.db2.gz KTRDIITUGOUKIR-UHFFFAOYSA-N 1 0 360.433 2.407 20 30 FEEDRO CC(C)(C)OC(=O)NC[C@@H]([NH2+]CC(=O)NCc1ccc(C#N)cc1)C1CC1 ZINC000273222634 329846756 /nfs/dbraw/zinc/84/67/56/329846756.db2.gz DHXJFCJIWHRXRI-QGZVFWFLSA-N 1 0 372.469 2.067 20 30 FEEDRO Cn1ccnc1[C@H]1OCC[C@@H]1[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000275548472 330062385 /nfs/dbraw/zinc/06/23/85/330062385.db2.gz NDIHVGAEGZOKHP-PMACEKPBSA-N 1 0 365.481 2.376 20 30 FEEDRO CN(C(=O)C(=O)Nc1ccc(C#N)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000275626810 330072117 /nfs/dbraw/zinc/07/21/17/330072117.db2.gz IUJJQFFWAYSKCN-IBGZPJMESA-N 1 0 362.433 2.230 20 30 FEEDRO Cc1nc(C#N)c(N2CCC(C(=O)N3CC[C@@H]4[C@@H](CCC[N@H+]4C)C3)CC2)o1 ZINC000276470122 330155485 /nfs/dbraw/zinc/15/54/85/330155485.db2.gz QFAJOBCYHKUTQY-FUHWJXTLSA-N 1 0 371.485 2.014 20 30 FEEDRO N#Cc1ccc(C(=O)NC2CC[NH+](Cc3ccccn3)CC2)nc1Cl ZINC000367115635 330218819 /nfs/dbraw/zinc/21/88/19/330218819.db2.gz VFPKDQRAWAJMRY-UHFFFAOYSA-N 1 0 355.829 2.396 20 30 FEEDRO Cn1cc([C@@H](O)C[C@@H]2CCC[N@@H+]2CCC(=O)Nc2ccc(C#N)cc2)cn1 ZINC000371454562 330243566 /nfs/dbraw/zinc/24/35/66/330243566.db2.gz ADTRTRTXAIYSOX-OALUTQOASA-N 1 0 367.453 2.208 20 30 FEEDRO C[NH+](C)C1(CNC(=O)N[C@@H]2CCCc3cc(C#N)ccc32)CCOCC1 ZINC000416692444 330260885 /nfs/dbraw/zinc/26/08/85/330260885.db2.gz RTKUMSKWMABQTI-GOSISDBHSA-N 1 0 356.470 2.346 20 30 FEEDRO C=C(C[NH+](C)C)C(=O)N1CCCC[C@H]1COC(=O)N1CCC(C)CC1 ZINC000804651077 674295580 /nfs/dbraw/zinc/29/55/80/674295580.db2.gz GVVBZRZHVNFRNQ-KRWDZBQOSA-N 1 0 351.491 2.354 20 30 FEEDRO CN(C)C(=O)[C@@H]1CC[C@@H](C[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)O1 ZINC000554972490 674344064 /nfs/dbraw/zinc/34/40/64/674344064.db2.gz MWGFRGMBHSIWGM-ZFWWWQNUSA-N 1 0 355.360 2.302 20 30 FEEDRO N#Cc1ccc(N2CC[NH+](C[C@@H](O)Cc3cccc(Cl)c3)CC2)cn1 ZINC000805753991 674352086 /nfs/dbraw/zinc/35/20/86/674352086.db2.gz NRGQSLAZVBORDU-IBGZPJMESA-N 1 0 356.857 2.332 20 30 FEEDRO N#Cc1ccccc1NC(=O)CC[N@@H+]1CCCN(C(=O)c2ccco2)CC1 ZINC000359933743 534817785 /nfs/dbraw/zinc/81/77/85/534817785.db2.gz GLHIWKFCYYDIEQ-UHFFFAOYSA-N 1 0 366.421 2.328 20 30 FEEDRO CN(Cc1cccc(C#N)c1)C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000155903451 545582656 /nfs/dbraw/zinc/58/26/56/545582656.db2.gz USJOTFVLARNOKE-VQTJNVASSA-N 1 0 370.497 2.468 20 30 FEEDRO Cc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000155963784 545587148 /nfs/dbraw/zinc/58/71/48/545587148.db2.gz SPXXHJBGWAVCTL-QFBILLFUSA-N 1 0 366.465 2.281 20 30 FEEDRO CNS(=O)(=O)[C@H]1CC[N@H+](Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000156062627 545596188 /nfs/dbraw/zinc/59/61/88/545596188.db2.gz YYPOWQPUHVSELS-SFHVURJKSA-N 1 0 355.463 2.349 20 30 FEEDRO COCC[N@@H+](Cc1ccc2c(c1)OCO2)C[C@@H](O)c1ccc(C#N)cc1 ZINC000156332457 545617995 /nfs/dbraw/zinc/61/79/95/545617995.db2.gz VCFQXKZYYNSAJM-GOSISDBHSA-N 1 0 354.406 2.469 20 30 FEEDRO Cc1cc(C)n2c(C[NH2+]C3CCN(c4ccc(C#N)cn4)CC3)cnc2n1 ZINC000156449864 545628559 /nfs/dbraw/zinc/62/85/59/545628559.db2.gz COLZYTYXWKURCN-UHFFFAOYSA-N 1 0 361.453 2.371 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)NCc2ccc(C)cc2O[C@H]2CCOC2)CC1 ZINC000156742293 545655351 /nfs/dbraw/zinc/65/53/51/545655351.db2.gz NIZZZGQHOKHINC-IBGZPJMESA-N 1 0 356.466 2.124 20 30 FEEDRO C[NH+](C)[C@@H]1CCCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)C1 ZINC000157429842 545740050 /nfs/dbraw/zinc/74/00/50/545740050.db2.gz BFNKDIRNBVIKPP-CYBMUJFWSA-N 1 0 361.389 2.292 20 30 FEEDRO CN(CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000157496568 545747812 /nfs/dbraw/zinc/74/78/12/545747812.db2.gz XYNYJIFEVFLRCU-FQEVSTJZSA-N 1 0 350.466 2.409 20 30 FEEDRO C[NH+]=C(NCCc1cccnc1)N(C)Cc1cc(Br)cn1C ZINC000159468560 545956654 /nfs/dbraw/zinc/95/66/54/545956654.db2.gz WAESWVMFSSHTHF-UHFFFAOYSA-N 1 0 364.291 2.433 20 30 FEEDRO N#Cc1ccc(NCC(=O)N2CC[C@@H](OCC[NH+]3CCCCC3)C2)cc1 ZINC000159590629 545965131 /nfs/dbraw/zinc/96/51/31/545965131.db2.gz NROSHVQIEQSFEB-LJQANCHMSA-N 1 0 356.470 2.074 20 30 FEEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000159735098 545976642 /nfs/dbraw/zinc/97/66/42/545976642.db2.gz QLUUKAIVFUCRDQ-HZPDHXFCSA-N 1 0 352.500 2.398 20 30 FEEDRO N#CCOc1ccc(CC(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)cc1 ZINC000160323376 546030500 /nfs/dbraw/zinc/03/05/00/546030500.db2.gz OWJFDYXCNSBLJH-WOJBJXKFSA-N 1 0 371.481 2.016 20 30 FEEDRO C#CCOCCC(=O)Nc1ccnn1[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000160709083 546064728 /nfs/dbraw/zinc/06/47/28/546064728.db2.gz PQUBACNIPIPFNO-GOSISDBHSA-N 1 0 352.438 2.309 20 30 FEEDRO COc1ccccc1CNC(=[NH2+])NCc1cccnc1OCC(F)F ZINC000160768523 546070113 /nfs/dbraw/zinc/07/01/13/546070113.db2.gz YFNZURXALFNKBL-UHFFFAOYSA-N 1 0 350.369 2.339 20 30 FEEDRO C[NH+](C)Cc1ccc(C(=O)N2CCCN(c3ncccc3C#N)CC2)cc1 ZINC000161007343 546092429 /nfs/dbraw/zinc/09/24/29/546092429.db2.gz WEGRNXMJOYYCAK-UHFFFAOYSA-N 1 0 363.465 2.367 20 30 FEEDRO C[C@@H](O)c1ccc(CNC(=[NH2+])N2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000170908194 546181298 /nfs/dbraw/zinc/18/12/98/546181298.db2.gz HIKVSNGAJNHITR-CQSZACIVSA-N 1 0 362.474 2.107 20 30 FEEDRO [NH2+]=C(NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1)N1CCOCC1 ZINC000170909946 546181306 /nfs/dbraw/zinc/18/13/06/546181306.db2.gz DXSHSBJVOPPWNI-UHFFFAOYSA-N 1 0 353.348 2.038 20 30 FEEDRO COc1ccc(CCNC(=[NH2+])NCc2ccc([C@H](C)O)cc2)cc1OC ZINC000170908122 546181330 /nfs/dbraw/zinc/18/13/30/546181330.db2.gz LUZNTIMVLSYZIO-AWEZNQCLSA-N 1 0 357.454 2.404 20 30 FEEDRO Cc1nnc2ccc(C(=O)NC3(C#N)CC[NH+](Cc4ccccc4)CC3)cn12 ZINC000479208804 561184665 /nfs/dbraw/zinc/18/46/65/561184665.db2.gz AUEBCLVKELSBGY-UHFFFAOYSA-N 1 0 374.448 2.326 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)c2ccc(CSc3nc[nH]n3)cc2)CC1 ZINC000171565946 546215195 /nfs/dbraw/zinc/21/51/95/546215195.db2.gz KOVCZBSPKSZZGA-UHFFFAOYSA-N 1 0 357.483 2.477 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N[C@H](CN2CCCC2=O)c2ccccc2)CC1 ZINC000171711807 546220351 /nfs/dbraw/zinc/22/03/51/546220351.db2.gz RCFXGIIHLRRJPR-LJQANCHMSA-N 1 0 370.497 2.300 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)[C@H](NC(=O)c2ccc(F)cc2)C(C)C)CC1 ZINC000171725913 546221958 /nfs/dbraw/zinc/22/19/58/546221958.db2.gz ILRDXEANOLYTIM-GOSISDBHSA-N 1 0 361.461 2.347 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N2CCC(CC(=O)N3CCCC3)CC2)CC1 ZINC000171737630 546223598 /nfs/dbraw/zinc/22/35/98/546223598.db2.gz DPVQPRYTSJHMQD-UHFFFAOYSA-N 1 0 362.518 2.071 20 30 FEEDRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)NCCCCC#N)CC1 ZINC000171739835 546223724 /nfs/dbraw/zinc/22/37/24/546223724.db2.gz OWXYGEFDKJHGNE-UHFFFAOYSA-N 1 0 357.502 2.317 20 30 FEEDRO C=CCCCN(C)C(=O)C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC000172347159 546248454 /nfs/dbraw/zinc/24/84/54/546248454.db2.gz WEFUKBGNGFTHIL-UHFFFAOYSA-N 1 0 358.486 2.192 20 30 FEEDRO N#Cc1ccc(CSCC(=O)N2CC[NH+](CC3CCOCC3)CC2)cc1 ZINC000172460375 546253344 /nfs/dbraw/zinc/25/33/44/546253344.db2.gz SEQLNACISDBWMJ-UHFFFAOYSA-N 1 0 373.522 2.362 20 30 FEEDRO N#CCSCCC[NH+]1CCN(CC(=O)Nc2ccc(F)cc2)CC1 ZINC000173864458 546288295 /nfs/dbraw/zinc/28/82/95/546288295.db2.gz GSBVWMSRFLPJID-UHFFFAOYSA-N 1 0 350.463 2.029 20 30 FEEDRO CC(C)(C#N)CCC[NH+]1CCN(Cc2nc3ccccc3c(=O)[nH]2)CC1 ZINC000174813825 546303994 /nfs/dbraw/zinc/30/39/94/546303994.db2.gz LOOGKLPVVGBXIT-UHFFFAOYSA-N 1 0 353.470 2.371 20 30 FEEDRO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000174846148 546304554 /nfs/dbraw/zinc/30/45/54/546304554.db2.gz AZAOVRUKTYFYGU-LSDHHAIUSA-N 1 0 352.438 2.323 20 30 FEEDRO CNC(=O)CC1CC[NH+]([C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)CC1 ZINC000175041507 546305854 /nfs/dbraw/zinc/30/58/54/546305854.db2.gz VAPHYAUGNQVCQN-LFDOHDQPSA-N 1 0 362.518 2.154 20 30 FEEDRO CC[NH+]=C(NCc1cccc2c1OCO2)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000175583367 546314699 /nfs/dbraw/zinc/31/46/99/546314699.db2.gz TVHHSQDGZYWLMH-OAHLLOKOSA-N 1 0 355.442 2.104 20 30 FEEDRO CCC[N@H+](CC)CCNC(=O)N1CCN(c2ccc(C#N)cc2F)CC1 ZINC000175771297 546347188 /nfs/dbraw/zinc/34/71/88/546347188.db2.gz GNNYFXPFFBTMGK-UHFFFAOYSA-N 1 0 361.465 2.261 20 30 FEEDRO C=CC[C@H](CO)C[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480171607 561204104 /nfs/dbraw/zinc/20/41/04/561204104.db2.gz PUOACANYAZKXNI-SMDDNHRTSA-N 1 0 374.300 2.442 20 30 FEEDRO C[C@@H](CNC(=O)C(=O)Nc1ccc(F)cc1C#N)[N@H+](C)Cc1ccccc1 ZINC000175982064 546384545 /nfs/dbraw/zinc/38/45/45/546384545.db2.gz LWNXTQRGRJWWSN-AWEZNQCLSA-N 1 0 368.412 2.273 20 30 FEEDRO O=C(NCC[NH+]1CCCC1)C(=O)Nc1ccccc1C#Cc1ccccc1 ZINC000176038871 546394776 /nfs/dbraw/zinc/39/47/76/546394776.db2.gz YDKIVOIAAUYPNC-UHFFFAOYSA-N 1 0 361.445 2.237 20 30 FEEDRO CCC[N@H+](CC)CCNC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000176212708 546420238 /nfs/dbraw/zinc/42/02/38/546420238.db2.gz DKNITRKTOXRDRM-UHFFFAOYSA-N 1 0 370.375 2.364 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCOC[C@H]1[C@H]1CCCO1)C(C)C ZINC000480521715 561211099 /nfs/dbraw/zinc/21/10/99/561211099.db2.gz UQDIILNHRDYMRN-CEXWTWQISA-N 1 0 365.518 2.274 20 30 FEEDRO CC[NH+](CC)CCOc1ccc(NC(=O)C(=O)N2CCC(C#N)CC2)cc1 ZINC000177446854 546619758 /nfs/dbraw/zinc/61/97/58/546619758.db2.gz YRQQTSCMAAXGCE-UHFFFAOYSA-N 1 0 372.469 2.108 20 30 FEEDRO N#Cc1ccc(CS(=O)(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)c(F)c1 ZINC000481026856 561223292 /nfs/dbraw/zinc/22/32/92/561223292.db2.gz UNLTXPQSZGHGSB-QGZVFWFLSA-N 1 0 365.474 2.477 20 30 FEEDRO N#Cc1ccc(CS(=O)(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)c(F)c1 ZINC000481060951 561224026 /nfs/dbraw/zinc/22/40/26/561224026.db2.gz RLXVZTNETZPIKF-QGZVFWFLSA-N 1 0 365.474 2.477 20 30 FEEDRO N#Cc1ccc(CS(=O)(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)c(F)c1 ZINC000481060950 561224124 /nfs/dbraw/zinc/22/41/24/561224124.db2.gz RLXVZTNETZPIKF-KRWDZBQOSA-N 1 0 365.474 2.477 20 30 FEEDRO C[C@@H]1C[N@@H+](CCC2CCN(C(=O)C3(C#N)CCOCC3)CC2)C[C@H](C)O1 ZINC000178240021 546762779 /nfs/dbraw/zinc/76/27/79/546762779.db2.gz MXIFZDRNKCAOBH-CALCHBBNSA-N 1 0 363.502 2.045 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(C)c(-c3ncco3)c2)CC1 ZINC000178319111 546775005 /nfs/dbraw/zinc/77/50/05/546775005.db2.gz TUVMNLUFFSBTGN-UHFFFAOYSA-N 1 0 368.437 2.355 20 30 FEEDRO C[C@@H]([NH2+]CCCCC#N)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000178649496 546826729 /nfs/dbraw/zinc/82/67/29/546826729.db2.gz MZDIRILCCNHNTA-OAHLLOKOSA-N 1 0 351.472 2.052 20 30 FEEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+][C@@H](CCCO)c2ccccc2)c1 ZINC000179734086 547005768 /nfs/dbraw/zinc/00/57/68/547005768.db2.gz XUHYXBQUSFOWGW-IBGZPJMESA-N 1 0 358.463 2.435 20 30 FEEDRO C[C@@H](C[NH+](C)C)NC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N ZINC000482285202 561251908 /nfs/dbraw/zinc/25/19/08/561251908.db2.gz JGUDOGOPTSMQPD-AWEZNQCLSA-N 1 0 357.458 2.341 20 30 FEEDRO CC[C@@H]1Oc2cc([C@H](C)[NH2+]CC(=O)N(CC)CCC#N)ccc2NC1=O ZINC000180004231 547037453 /nfs/dbraw/zinc/03/74/53/547037453.db2.gz HRMRJEOAPXHGHR-BBRMVZONSA-N 1 0 358.442 2.209 20 30 FEEDRO C=CCNC(=O)CNC(=O)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000180338118 547087400 /nfs/dbraw/zinc/08/74/00/547087400.db2.gz JOWKTMPQJSUENO-UHFFFAOYSA-N 1 0 358.486 2.020 20 30 FEEDRO C=CCNC(=O)CNC(=O)NCc1ccc(C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000180408554 547102451 /nfs/dbraw/zinc/10/24/51/547102451.db2.gz DVQSJHMGMNQWNM-IRXDYDNUSA-N 1 0 372.513 2.266 20 30 FEEDRO N#CC1(NC(=O)COc2cccnc2)CC[NH+](Cc2ccccc2)CC1 ZINC000482642763 561257380 /nfs/dbraw/zinc/25/73/80/561257380.db2.gz UDJGPXWSOQBUAC-UHFFFAOYSA-N 1 0 350.422 2.135 20 30 FEEDRO C=CCCC[C@H](C)NC(=O)C(=O)Nc1ccnn1C1CC[NH+](CC)CC1 ZINC000180972600 547222724 /nfs/dbraw/zinc/22/27/24/547222724.db2.gz KVQWWZBLNQAPHR-HNNXBMFYSA-N 1 0 361.490 2.339 20 30 FEEDRO C=CCNC(=O)C[NH2+]Cc1ccc(OCc2c(C)noc2C)c(OC)c1 ZINC000181123750 547253617 /nfs/dbraw/zinc/25/36/17/547253617.db2.gz SMWUBCCGJCSCRJ-UHFFFAOYSA-N 1 0 359.426 2.271 20 30 FEEDRO C=CCc1ccccc1OC[C@H](O)C[N@H+]1C[C@@H](CC)O[C@]2(CCOC2)C1 ZINC000483148905 561268959 /nfs/dbraw/zinc/26/89/59/561268959.db2.gz DOWQYINOUBPPMT-SFHLNBCPSA-N 1 0 361.482 2.425 20 30 FEEDRO C=C(C)C[N@@H+](C)CC(=O)N1CCC(NC(=O)CCc2ccccc2)CC1 ZINC000181255523 547281729 /nfs/dbraw/zinc/28/17/29/547281729.db2.gz PYQPNGVNXPYDGA-UHFFFAOYSA-N 1 0 357.498 2.234 20 30 FEEDRO CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000181272471 547283006 /nfs/dbraw/zinc/28/30/06/547283006.db2.gz ZYMHSQNCAWYDJP-AUUYWEPGSA-N 1 0 358.442 2.348 20 30 FEEDRO C[C@H]([NH2+]CC(=O)N[C@](C)(C#N)C1CC1)c1cccc(N2CCCC2=O)c1 ZINC000181398855 547308130 /nfs/dbraw/zinc/30/81/30/547308130.db2.gz DACAQQBDFCNKAG-VBKZILBWSA-N 1 0 354.454 2.272 20 30 FEEDRO CC[C@@H](O)C[NH+]1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 ZINC000181438140 547315310 /nfs/dbraw/zinc/31/53/10/547315310.db2.gz XWBRACHCHBXSNR-CVEARBPZSA-N 1 0 352.276 2.402 20 30 FEEDRO COCCN1CCC([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CC1 ZINC000181581884 547340431 /nfs/dbraw/zinc/34/04/31/547340431.db2.gz IMCRDMFMCARVIB-UHFFFAOYSA-N 1 0 356.514 2.223 20 30 FEEDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)Nc1ccccc1O[C@@H](C)C#N ZINC000181744649 547373163 /nfs/dbraw/zinc/37/31/63/547373163.db2.gz XUTSDXJYKHOJLS-XHSDSOJGSA-N 1 0 372.469 2.153 20 30 FEEDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccccc2O[C@@H](C)C#N)C1 ZINC000181911921 547402887 /nfs/dbraw/zinc/40/28/87/547402887.db2.gz YWDFWCKYCYESII-JKSUJKDBSA-N 1 0 372.469 2.010 20 30 FEEDRO C[C@@H](C1CC1)[N@H+](C)CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000182620580 547523394 /nfs/dbraw/zinc/52/33/94/547523394.db2.gz DEEPZBNWZHCSCZ-KXBFYZLASA-N 1 0 358.461 2.265 20 30 FEEDRO COCC[NH+]1[C@H](C)CN([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@H]1C ZINC000182926932 547574430 /nfs/dbraw/zinc/57/44/30/547574430.db2.gz KVGAVWGWEKJYCG-MBOZVWFJSA-N 1 0 370.497 2.095 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N2CCC[C@H](CC(=O)OC(C)C)C2)CC1 ZINC000184119894 547772114 /nfs/dbraw/zinc/77/21/14/547772114.db2.gz UERSHOQGAZPQOJ-MRXNPFEDSA-N 1 0 351.491 2.400 20 30 FEEDRO C[C@@H](CNC(=O)Nc1cnn(-c2ncccc2C#N)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000184621560 547855486 /nfs/dbraw/zinc/85/54/86/547855486.db2.gz LPXCNJZAQVVRME-CABCVRRESA-N 1 0 367.457 2.381 20 30 FEEDRO COc1cccc(-c2noc([C@@H](C)NCCC(=O)N(C)CCC#N)n2)c1 ZINC000185126458 547936832 /nfs/dbraw/zinc/93/68/32/547936832.db2.gz CIVJCTRWLNDKSL-CYBMUJFWSA-N 1 0 357.414 2.158 20 30 FEEDRO C=CCOc1ccc(C(=O)N[C@@H](C)CC[NH+]2CCN(C)CC2)cc1OC ZINC000185308036 547967794 /nfs/dbraw/zinc/96/77/94/547967794.db2.gz SYNXYJJHCOHBPY-INIZCTEOSA-N 1 0 361.486 2.016 20 30 FEEDRO COc1ccccc1C(=O)C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000185974087 548067183 /nfs/dbraw/zinc/06/71/83/548067183.db2.gz XTAMJDHGAYNCNQ-UHFFFAOYSA-N 1 0 365.433 2.340 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000485961745 561333573 /nfs/dbraw/zinc/33/35/73/561333573.db2.gz WYCYDSVBCJLJJU-UHFFFAOYSA-N 1 0 354.357 2.109 20 30 FEEDRO C#CCOc1ccccc1NC(=O)NC[C@H](C)C[NH+]1CCN(CC)CC1 ZINC000188036303 548269883 /nfs/dbraw/zinc/26/98/83/548269883.db2.gz VVQUMLJOFBKQOS-KRWDZBQOSA-N 1 0 358.486 2.094 20 30 FEEDRO C#CCOc1ccccc1NC(=O)N1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000188079883 548270749 /nfs/dbraw/zinc/27/07/49/548270749.db2.gz GGLIZYQYOKMIIK-MRXNPFEDSA-N 1 0 357.454 2.416 20 30 FEEDRO C=CCN(CCOC)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000189499955 548303519 /nfs/dbraw/zinc/30/35/19/548303519.db2.gz BESSXCVTDQJQMF-UHFFFAOYSA-N 1 0 353.507 2.113 20 30 FEEDRO C=CCN(CCOC)CC(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000191103488 548340508 /nfs/dbraw/zinc/34/05/08/548340508.db2.gz HBGWTBDEEPRXIN-UHFFFAOYSA-N 1 0 351.878 2.123 20 30 FEEDRO CCOC(=O)N1CCC(NC(=[NH2+])NCc2c(Cl)cccc2OC)CC1 ZINC000191152252 548342051 /nfs/dbraw/zinc/34/20/51/548342051.db2.gz APZLRVZKIFYWGJ-UHFFFAOYSA-N 1 0 368.865 2.374 20 30 FEEDRO CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)C1 ZINC000193748348 548395847 /nfs/dbraw/zinc/39/58/47/548395847.db2.gz NEBADZFKOCVHBK-HNNXBMFYSA-N 1 0 356.470 2.274 20 30 FEEDRO N#CCOc1ccccc1C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000194170701 548444038 /nfs/dbraw/zinc/44/40/38/548444038.db2.gz HABXKVRQFCEQOV-UHFFFAOYSA-N 1 0 350.422 2.378 20 30 FEEDRO C=CCSCCNC(=O)Nc1cccc(CN2CCC[C@@H]2C(N)=O)c1 ZINC000194553325 548497502 /nfs/dbraw/zinc/49/75/02/548497502.db2.gz CQLUGIACEUJGNM-MRXNPFEDSA-N 1 0 362.499 2.177 20 30 FEEDRO CCCCCCCS(=O)(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000195149728 548584866 /nfs/dbraw/zinc/58/48/66/548584866.db2.gz BKWFCSIZEZNUGL-UHFFFAOYSA-N 1 0 368.547 2.223 20 30 FEEDRO CN(C)c1ccnc(C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000195247303 548602626 /nfs/dbraw/zinc/60/26/26/548602626.db2.gz IYJDUVGREKMWRS-UHFFFAOYSA-N 1 0 363.465 2.367 20 30 FEEDRO Cc1oc(NC(=O)[C@@H](C)N(C)CCN2C[C@@H](C)O[C@@H](C)C2)c(C#N)c1C ZINC000195321273 548621794 /nfs/dbraw/zinc/62/17/94/548621794.db2.gz SEVKPIFBTJLVCV-VNHYZAJKSA-N 1 0 362.474 2.136 20 30 FEEDRO CC[NH+](CC)CC(=O)Nc1cccc(N[C@H](C)C(=O)NC2(C#N)CCC2)c1 ZINC000487900102 561378247 /nfs/dbraw/zinc/37/82/47/561378247.db2.gz SHLXCIWYEJSSJW-OAHLLOKOSA-N 1 0 371.485 2.330 20 30 FEEDRO CNC(=O)[C@@H](C)C[N@H+](C)[C@@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000246261331 549091276 /nfs/dbraw/zinc/09/12/76/549091276.db2.gz UTRGTCWZWZNBHQ-IRXDYDNUSA-N 1 0 358.486 2.253 20 30 FEEDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2ccccc2OCC#N)[C@@H](C)C1 ZINC000246693159 549189629 /nfs/dbraw/zinc/18/96/29/549189629.db2.gz DGLHHNRLCRVWEK-WMZOPIPTSA-N 1 0 359.470 2.456 20 30 FEEDRO CN1CCO[C@H]([C@@H](NC(=O)c2ccnc(C#N)c2)c2ccc(Cl)cc2)C1 ZINC000248814429 549505241 /nfs/dbraw/zinc/50/52/41/549505241.db2.gz ABIKEYNFPSFQQC-ROUUACIJSA-N 1 0 370.840 2.408 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)cc1F ZINC000489551523 561414077 /nfs/dbraw/zinc/41/40/77/561414077.db2.gz PFSUGEIELBFILF-HNNXBMFYSA-N 1 0 351.447 2.240 20 30 FEEDRO CN(C(=O)c1ccnc(C#N)c1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000249106013 549553708 /nfs/dbraw/zinc/55/37/08/549553708.db2.gz PHNZJKQEKNBZPK-VQTJNVASSA-N 1 0 369.513 2.362 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNS(=O)(=O)c1cnc(C)c(C#N)c1)C(C)C ZINC000489629885 561415970 /nfs/dbraw/zinc/41/59/70/561415970.db2.gz YNPMQYZQTKONSB-SFHVURJKSA-N 1 0 362.499 2.239 20 30 FEEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2cc(C#N)ccc2Cl)[C@@H](C)C1 ZINC000249154251 549561504 /nfs/dbraw/zinc/56/15/04/549561504.db2.gz HYXXLLXIRSJCMC-LRDDRELGSA-N 1 0 362.861 2.339 20 30 FEEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)N[C@@H]3C[C@@H]4OCCC[C@H]34)CC2)cc1 ZINC000251614091 549648360 /nfs/dbraw/zinc/64/83/60/549648360.db2.gz GGZXPKIURPFRCO-AQNXPRMDSA-N 1 0 368.481 2.343 20 30 FEEDRO CCc1ccc([C@@H](C#N)NC(=O)c2ccnc(N3CC[NH+](C)CC3)c2)cc1 ZINC000489947053 561422892 /nfs/dbraw/zinc/42/28/92/561422892.db2.gz OFRRGVMWDAWHMO-LJQANCHMSA-N 1 0 363.465 2.390 20 30 FEEDRO CC[N@H+](CC(=O)N1CCC[C@H](NC(C)=O)C1)[C@H](C)c1ccc(C#N)cc1 ZINC000253356099 549683914 /nfs/dbraw/zinc/68/39/14/549683914.db2.gz WLOSGZDXUOXYCA-BEFAXECRSA-N 1 0 356.470 2.068 20 30 FEEDRO C[NH+]=C(NCc1nc(-c2cccc(Cl)c2)no1)N(C)C[C@@H]1CCOC1 ZINC000261624510 549735509 /nfs/dbraw/zinc/73/55/09/549735509.db2.gz ILFZLUWQOAPBSE-LBPRGKRZSA-N 1 0 363.849 2.434 20 30 FEEDRO N#Cc1cc(S(=O)(=O)N2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)ccc1F ZINC000261775589 549754074 /nfs/dbraw/zinc/75/40/74/549754074.db2.gz SSGHUKPVMLQUME-WBVHZDCISA-N 1 0 359.426 2.060 20 30 FEEDRO C[NH+]=C(NCC(C)(C)c1cccs1)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000261814316 549757926 /nfs/dbraw/zinc/75/79/26/549757926.db2.gz SYKTZJBBSJSBGP-INIZCTEOSA-N 1 0 364.559 2.255 20 30 FEEDRO CC[S@](=O)[C@H]1CCC[C@H](NC(NCc2cn3ccccc3n2)=[NH+]C)C1 ZINC000261870955 549764172 /nfs/dbraw/zinc/76/41/72/549764172.db2.gz ZPLBCWKPMIVVJH-LESHARBVSA-N 1 0 361.515 2.079 20 30 FEEDRO CC(C)c1cccc(NC(=[NH2+])NC[C@H]2CCn3ncc(C(N)=O)c3C2)c1 ZINC000261949069 549773015 /nfs/dbraw/zinc/77/30/15/549773015.db2.gz PDVAFSSJWUQHRC-ZDUSSCGKSA-N 1 0 354.458 2.095 20 30 FEEDRO C/[NH+]=C(/NCc1cn2ccsc2n1)N1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000261972144 549775669 /nfs/dbraw/zinc/77/56/69/549775669.db2.gz NBKDTRJFMAZPPP-ZFWWWQNUSA-N 1 0 357.487 2.251 20 30 FEEDRO C[NH+]=C(NCc1nnc(C)n1C)N1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000261985798 549776875 /nfs/dbraw/zinc/77/68/75/549776875.db2.gz PZRCEDFDSGYHDW-CYBMUJFWSA-N 1 0 362.865 2.006 20 30 FEEDRO [NH2+]=C(NC[C@H]1CCCS(=O)(=O)C1)Nc1ccccc1OC(F)(F)F ZINC000262247009 549802186 /nfs/dbraw/zinc/80/21/86/549802186.db2.gz BLCLWBVPYAXLNU-SNVBAGLBSA-N 1 0 365.377 2.137 20 30 FEEDRO C[C@H](CNC(=O)C(=O)Nc1ccc(C#N)cc1Cl)C[NH+]1CCCCC1 ZINC000490382358 561432198 /nfs/dbraw/zinc/43/21/98/561432198.db2.gz WYEOHLDWBACYCN-CYBMUJFWSA-N 1 0 362.861 2.388 20 30 FEEDRO [NH2+]=C(NC[C@@H](c1ccccc1)C1CC1)N1CCN(c2ncccn2)CC1 ZINC000262663163 549836368 /nfs/dbraw/zinc/83/63/68/549836368.db2.gz ZZRSQRLNEVXBGJ-SFHVURJKSA-N 1 0 350.470 2.107 20 30 FEEDRO Cc1ccc(CNC(=[NH2+])NCc2cccc(C(F)(F)F)c2)c(=O)n1C ZINC000262800616 549850910 /nfs/dbraw/zinc/85/09/10/549850910.db2.gz QUNHUSBCOJNZGC-UHFFFAOYSA-N 1 0 352.360 2.317 20 30 FEEDRO C[NH+]=C(NCc1coc(-c2ccccc2)n1)N1CCN(C(=O)C(C)C)CC1 ZINC000262818402 549852973 /nfs/dbraw/zinc/85/29/73/549852973.db2.gz WFCRKPXHSPDWPA-UHFFFAOYSA-N 1 0 369.469 2.217 20 30 FEEDRO C[NH+]=C(NCc1nc(C(C)(C)C)cs1)N1CCN(C(=O)C(C)C)CC1 ZINC000262821780 549853531 /nfs/dbraw/zinc/85/35/31/549853531.db2.gz YLYSWVZYJNDQPF-UHFFFAOYSA-N 1 0 365.547 2.316 20 30 FEEDRO CCC[NH+]1CCC(CNC(=O)C(=O)Nc2ccc(C#N)cc2Cl)CC1 ZINC000490466206 561433701 /nfs/dbraw/zinc/43/37/01/561433701.db2.gz YYWKFLLVZOGUNC-UHFFFAOYSA-N 1 0 362.861 2.388 20 30 FEEDRO C[NH+]=C(NCc1nnc2ccc(C(F)(F)F)cn21)NCc1ccccn1 ZINC000263264255 549890153 /nfs/dbraw/zinc/89/01/53/549890153.db2.gz UPOPLZGWSRZROA-UHFFFAOYSA-N 1 0 363.347 2.008 20 30 FEEDRO COc1ccc(CNC(=[NH2+])NCc2ccc(OC)c([N+](=O)[O-])c2)cc1OC ZINC000264084630 549977360 /nfs/dbraw/zinc/97/73/60/549977360.db2.gz IRIAGXJPBOXCNC-UHFFFAOYSA-N 1 0 374.397 2.225 20 30 FEEDRO CC(C)c1cccc(NC(=[NH2+])NCCCn2nc3n(c2=O)CCCC3)c1 ZINC000264105585 549979697 /nfs/dbraw/zinc/97/96/97/549979697.db2.gz PKLFNVOQMYCCRZ-UHFFFAOYSA-N 1 0 356.474 2.321 20 30 FEEDRO CCOC(=O)N1CCC(NC(=[NH2+])NCCCc2nc3ccccc3[nH]2)CC1 ZINC000264103929 549979712 /nfs/dbraw/zinc/97/97/12/549979712.db2.gz OWTPJUAVXLKUHU-UHFFFAOYSA-N 1 0 372.473 2.021 20 30 FEEDRO C[NH+](C)CCOc1ccc(CCNC(=O)COc2ccc(C#N)cc2)cc1 ZINC000264169305 549987363 /nfs/dbraw/zinc/98/73/63/549987363.db2.gz CGBACLKSUBTNPV-UHFFFAOYSA-N 1 0 367.449 2.236 20 30 FEEDRO COc1ccc(NC(=[NH2+])NCCCc2nnc3n2CCCCC3)cc1OC ZINC000264255893 549992845 /nfs/dbraw/zinc/99/28/45/549992845.db2.gz IHVBMNCDKBJLFR-UHFFFAOYSA-N 1 0 372.473 2.381 20 30 FEEDRO COc1ccc(NC(=[NH2+])NCCCNC(=O)c2cccs2)cc1OC ZINC000264287887 549993973 /nfs/dbraw/zinc/99/39/73/549993973.db2.gz PBKKTNJOKRLTEM-UHFFFAOYSA-N 1 0 362.455 2.312 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(CC(=O)N(C)C)cc2)CC1 ZINC000264405094 549995134 /nfs/dbraw/zinc/99/51/34/549995134.db2.gz PWNRAUZFSUEXPT-UHFFFAOYSA-N 1 0 358.486 2.479 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)NC[C@H](CO)Cc2ccc(F)cc2)CC1 ZINC000264408122 549995218 /nfs/dbraw/zinc/99/52/18/549995218.db2.gz QKDSVLMXUFVEPA-QGZVFWFLSA-N 1 0 363.477 2.316 20 30 FEEDRO C#CCSCC[NH2+]Cc1ccc(O[C@@H](C)C(=O)N(C)C)c(OCC)c1 ZINC000265742439 550013715 /nfs/dbraw/zinc/01/37/15/550013715.db2.gz FHZMZTUUEDMCIF-HNNXBMFYSA-N 1 0 364.511 2.397 20 30 FEEDRO C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000265869190 550014872 /nfs/dbraw/zinc/01/48/72/550014872.db2.gz VGLQKSBUSUZNFB-CVEARBPZSA-N 1 0 351.491 2.422 20 30 FEEDRO C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000265869192 550015115 /nfs/dbraw/zinc/01/51/15/550015115.db2.gz VGLQKSBUSUZNFB-HOTGVXAUSA-N 1 0 351.491 2.422 20 30 FEEDRO COCCNS(=O)(=O)c1cccc(C[NH2+]CC(C)(C)CCC#N)c1 ZINC000266162959 550018062 /nfs/dbraw/zinc/01/80/62/550018062.db2.gz OKHVZAHOEIFITJ-UHFFFAOYSA-N 1 0 353.488 2.031 20 30 FEEDRO CCCCNC(=[NH2+])NCCCc1nn(-c2ccc(C)cc2)c(N)c1C#N ZINC000267390042 550030558 /nfs/dbraw/zinc/03/05/58/550030558.db2.gz CQKVCKYDIREPQQ-UHFFFAOYSA-N 1 0 353.474 2.272 20 30 FEEDRO C[C@@H](CNC(=O)C(=O)Nc1ccc(C#N)cc1Cl)[N@@H+]1CCC[C@@H](C)C1 ZINC000269108969 550156371 /nfs/dbraw/zinc/15/63/71/550156371.db2.gz PWEIKSVJHHOPDE-OLZOCXBDSA-N 1 0 362.861 2.387 20 30 FEEDRO N#CCOc1cccc(NC(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)c1 ZINC000269196140 550166681 /nfs/dbraw/zinc/16/66/81/550166681.db2.gz NFLKCHHYGSBSMH-RBUKOAKNSA-N 1 0 372.469 2.478 20 30 FEEDRO COc1ccc([C@H](C#N)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C3CC3)CC2)cc1 ZINC000492817530 561452980 /nfs/dbraw/zinc/45/29/80/561452980.db2.gz KVHSRHYMFPQSKW-PMACEKPBSA-N 1 0 368.481 2.031 20 30 FEEDRO N#Cc1ccnc(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C3CCCC3)CC2)c1 ZINC000269664642 550215042 /nfs/dbraw/zinc/21/50/42/550215042.db2.gz KMHISFLNPPNCGF-GOSISDBHSA-N 1 0 353.470 2.009 20 30 FEEDRO C[C@](C#N)(NC(=O)C[N@@H+]1CCC[C@H]1Cn1cnc2ccccc21)C1CC1 ZINC000270439279 550272436 /nfs/dbraw/zinc/27/24/36/550272436.db2.gz JKUXVLVKVWNSHT-OXJNMPFZSA-N 1 0 351.454 2.309 20 30 FEEDRO COc1ccc(C#N)cc1NC(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000270776427 550305553 /nfs/dbraw/zinc/30/55/53/550305553.db2.gz SSBULSCDWCBKDX-UHFFFAOYSA-N 1 0 369.425 2.224 20 30 FEEDRO COC(=O)c1cccc(CCNC(=[NH2+])Nc2ccc(OC)c(OC)c2)c1 ZINC000271029074 550333241 /nfs/dbraw/zinc/33/32/41/550333241.db2.gz BQAQGRSIIXWVAH-UHFFFAOYSA-N 1 0 357.410 2.460 20 30 FEEDRO N#CC1(c2ccccc2)CCC([NH2+]CCCN2CCC[C@@H]2C(N)=O)CC1 ZINC000271093087 550339475 /nfs/dbraw/zinc/33/94/75/550339475.db2.gz XFRBCHUHSVVQLJ-OBXNSHGQSA-N 1 0 354.498 2.320 20 30 FEEDRO COc1ccc([C@H](C)[NH2+]CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)cc1 ZINC000271728781 550398021 /nfs/dbraw/zinc/39/80/21/550398021.db2.gz YFLVFUDQZQAJBD-QFBILLFUSA-N 1 0 358.486 2.038 20 30 FEEDRO C[C@@H]([NH2+]C[C@@H](O)COc1ccc2c(c1)OCO2)c1ccc(OCC#N)cc1 ZINC000271850782 550405732 /nfs/dbraw/zinc/40/57/32/550405732.db2.gz RKKSLZFPPNIMQH-GDBMZVCRSA-N 1 0 370.405 2.408 20 30 FEEDRO C[C@H]([NH2+]C[C@@H](O)COc1ccc(C#N)cc1)c1ccc2c(c1)CC(=O)N2C ZINC000271846167 550405748 /nfs/dbraw/zinc/40/57/48/550405748.db2.gz QQLJIQRPDVGYHM-KBXCAEBGSA-N 1 0 365.433 2.168 20 30 FEEDRO C#CCC[NH+]1CCN(C[C@@H](O)CO[C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000272004601 550415702 /nfs/dbraw/zinc/41/57/02/550415702.db2.gz INOWDCXHOLROAN-QFBILLFUSA-N 1 0 350.890 2.419 20 30 FEEDRO N#CCN1CCC[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC000272058695 550419430 /nfs/dbraw/zinc/41/94/30/550419430.db2.gz BVHCRFBDCBZFNA-WOJBJXKFSA-N 1 0 354.498 2.393 20 30 FEEDRO CC(C)(C)OC(=O)c1cccc(C[NH2+]CCNC(=O)C2N=CC=CC2=O)c1 ZINC000272097651 550422737 /nfs/dbraw/zinc/42/27/37/550422737.db2.gz GBKHMBKSWPNFLH-ZCXUNETKSA-N 1 0 371.437 2.258 20 30 FEEDRO C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000272447800 550449119 /nfs/dbraw/zinc/44/91/19/550449119.db2.gz BABZMDVOPQPZAN-HNNXBMFYSA-N 1 0 372.469 2.297 20 30 FEEDRO C=CCS(=O)(=O)CC[NH2+]Cc1c(C)nn(-c2ccc(F)cc2F)c1C ZINC000272836660 550472963 /nfs/dbraw/zinc/47/29/63/550472963.db2.gz LYAMRPVMPODJOH-UHFFFAOYSA-N 1 0 369.437 2.458 20 30 FEEDRO COCCOc1ccc(C#N)cc1NC(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000273241877 550491238 /nfs/dbraw/zinc/49/12/38/550491238.db2.gz WVWOHXFBYCNBCQ-DOTOQJQBSA-N 1 0 358.442 2.141 20 30 FEEDRO C=CCN(C(=O)CC[C@@H]1CCC[NH2+]1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000494531557 561471270 /nfs/dbraw/zinc/47/12/70/561471270.db2.gz ZRUOQCTUFMKLTC-WBVHZDCISA-N 1 0 354.458 2.270 20 30 FEEDRO CCC(C)(C)[NH2+][C@@H](C)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000274921186 550565100 /nfs/dbraw/zinc/56/51/00/550565100.db2.gz LHFSWTADNCIPFW-YOEHRIQHSA-N 1 0 356.470 2.337 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1c[nH]nc1-c1cnn(C)c1)C(C)C ZINC000275498684 550572607 /nfs/dbraw/zinc/57/26/07/550572607.db2.gz LEVWWAQJNXLDIV-QGZVFWFLSA-N 1 0 356.474 2.239 20 30 FEEDRO CCN(CCC#N)C(=O)C(=O)Nc1ccccc1OCC[NH+](CC)CC ZINC000275708688 550573809 /nfs/dbraw/zinc/57/38/09/550573809.db2.gz MQXMRQJZAXYXSV-UHFFFAOYSA-N 1 0 360.458 2.108 20 30 FEEDRO C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC000275895672 550575153 /nfs/dbraw/zinc/57/51/53/550575153.db2.gz QFNXLVFHIMNLJX-HUUCEWRRSA-N 1 0 372.469 2.105 20 30 FEEDRO CS[C@@H]1CN(C(=O)Nc2ncccc2OCCCC#N)C[C@H]1[NH+](C)C ZINC000276120095 550577081 /nfs/dbraw/zinc/57/70/81/550577081.db2.gz WPHJZUFECQMICK-UKRRQHHQSA-N 1 0 363.487 2.273 20 30 FEEDRO C=CCN(CC=C)C(=O)[C@H](C)N[C@@H]1CC[N@@H+](CCCOCC)C[C@@H]1C ZINC000276243925 550577649 /nfs/dbraw/zinc/57/76/49/550577649.db2.gz OPYNXHFSKHAKFG-GBESFXJTSA-N 1 0 351.535 2.302 20 30 FEEDRO CN1C(=O)C[C@H]([NH2+]C[C@@H](O)c2ccc(C#N)cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000276961567 550615912 /nfs/dbraw/zinc/61/59/12/550615912.db2.gz QCSSLTLMUQMYSK-NLWGTHIKSA-N 1 0 371.387 2.431 20 30 FEEDRO C[NH+](C)CCN(CCCc1ccccc1)S(=O)(=O)c1cccnc1C#N ZINC000277065637 550627850 /nfs/dbraw/zinc/62/78/50/550627850.db2.gz RYBMVSOBYXQUTB-UHFFFAOYSA-N 1 0 372.494 2.138 20 30 FEEDRO Cc1noc(C[C@H]([NH2+]CC(=O)N[C@](C)(C#N)C(C)C)c2ccccc2)n1 ZINC000277315818 550655402 /nfs/dbraw/zinc/65/54/02/550655402.db2.gz UWKWBYSNSQIZQQ-QFBILLFUSA-N 1 0 355.442 2.306 20 30 FEEDRO N#Cc1ccc(Cl)c(NC(=O)C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)c1 ZINC000277442453 550670992 /nfs/dbraw/zinc/67/09/92/550670992.db2.gz HBWQDWQQYMUWCA-CQSZACIVSA-N 1 0 360.845 2.283 20 30 FEEDRO C#CCC(CC#C)C(=O)NCc1ccc(CN2CC[NH+](CC)CC2)cc1 ZINC000277480991 550675713 /nfs/dbraw/zinc/67/57/13/550675713.db2.gz QLDPIUNZTOGVJQ-UHFFFAOYSA-N 1 0 351.494 2.103 20 30 FEEDRO C#CC[NH+]1CCC(c2nc(-c3ccc(-n4c(C)c[nH]c4=O)cc3)no2)CC1 ZINC000277732496 550707577 /nfs/dbraw/zinc/70/75/77/550707577.db2.gz BJFQQFUBTVHEJQ-UHFFFAOYSA-N 1 0 363.421 2.337 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@@H](COC)[C@@H]1CCCO1 ZINC000278742072 550816964 /nfs/dbraw/zinc/81/69/64/550816964.db2.gz ADJMGIWZCGZTOV-XIRDDKMYSA-N 1 0 352.500 2.435 20 30 FEEDRO C[NH+](C)C[C@H]1CCCN1S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000278749237 550817736 /nfs/dbraw/zinc/81/77/36/550817736.db2.gz KAZRWUUHOATIGS-GFCCVEGCSA-N 1 0 372.288 2.035 20 30 FEEDRO C[C@H](CN1CCOCC1)[N@H+](C)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000279721893 550921461 /nfs/dbraw/zinc/92/14/61/550921461.db2.gz LXJANZATKOPEOV-MRXNPFEDSA-N 1 0 353.470 2.111 20 30 FEEDRO C#CCn1ccc(CN(CC)CCC[N@H+](CC)Cc2ccn(CC#C)n2)n1 ZINC000279746586 550924580 /nfs/dbraw/zinc/92/45/80/550924580.db2.gz PQACTLLVDJPKHM-UHFFFAOYSA-N 1 0 366.513 2.080 20 30 FEEDRO C#CCn1ccc(CN(CC)Cc2cc(=O)n3cc(Cl)ccc3n2)n1 ZINC000279822844 550932650 /nfs/dbraw/zinc/93/26/50/550932650.db2.gz YVALZNVOUONPIU-UHFFFAOYSA-N 1 0 355.829 2.200 20 30 FEEDRO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2S(=O)(=O)c1cccnc1C#N ZINC000280106314 550961336 /nfs/dbraw/zinc/96/13/36/550961336.db2.gz BKMUUOBRTKSZFH-YJBOKZPZSA-N 1 0 368.462 2.258 20 30 FEEDRO CNC(=O)[C@]1(C)CC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)C1 ZINC000281263549 551079131 /nfs/dbraw/zinc/07/91/31/551079131.db2.gz VOIJGMMUVZZECU-OXJNMPFZSA-N 1 0 356.470 2.088 20 30 FEEDRO CCOC(=O)CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)c1ccc(C#N)s1 ZINC000496863294 561496070 /nfs/dbraw/zinc/49/60/70/561496070.db2.gz GSVMDMWMFOJGQE-CQSZACIVSA-N 1 0 363.483 2.499 20 30 FEEDRO C[N@H+]1CC=C(CNS(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)CC1 ZINC000281839576 551146427 /nfs/dbraw/zinc/14/64/27/551146427.db2.gz ALQNYSZMYDYMFI-UHFFFAOYSA-N 1 0 359.373 2.117 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000281893514 551154262 /nfs/dbraw/zinc/15/42/62/551154262.db2.gz UPEJTKMDCLSHAJ-MJGOQNOKSA-N 1 0 361.486 2.407 20 30 FEEDRO C[N@H+](CCCC1(C#N)CCOCC1)CCN1C(=O)c2ccccc2C1=O ZINC000282072982 551177128 /nfs/dbraw/zinc/17/71/28/551177128.db2.gz TUGQORSEULBDKL-UHFFFAOYSA-N 1 0 355.438 2.315 20 30 FEEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc(F)cc2n[nH]nc21 ZINC000282117685 551183117 /nfs/dbraw/zinc/18/31/17/551183117.db2.gz JIMNETABTSMKCZ-UHFFFAOYSA-N 1 0 366.400 2.173 20 30 FEEDRO C=CCn1c(-c2cccnc2)nnc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC000282348567 551215112 /nfs/dbraw/zinc/21/51/12/551215112.db2.gz SFESIAKWXNMRSG-UHFFFAOYSA-N 1 0 368.485 2.075 20 30 FEEDRO C[C@@H](C#N)CN(C)S(=O)(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000282556958 551245992 /nfs/dbraw/zinc/24/59/92/551245992.db2.gz FFYZMHPSCXTRFC-LSDHHAIUSA-N 1 0 352.504 2.042 20 30 FEEDRO C[C@H](C(=O)N(C)CCC#N)[NH+]1CCC(N2CCc3cc(F)ccc32)CC1 ZINC000282612759 551251877 /nfs/dbraw/zinc/25/18/77/551251877.db2.gz ZAHCRZXCERORFA-OAHLLOKOSA-N 1 0 358.461 2.413 20 30 FEEDRO C[NH+](C)CCOc1cc(CNC(=O)NCC2CCC(C#N)CC2)ccn1 ZINC000282642521 551255197 /nfs/dbraw/zinc/25/51/97/551255197.db2.gz ILXDORPZPBZYCH-UHFFFAOYSA-N 1 0 359.474 2.151 20 30 FEEDRO C=C(C)Cn1c([C@@H](C)CC)nnc1N1CCN(CC(=O)N2CCCC2)CC1 ZINC000282843142 551276669 /nfs/dbraw/zinc/27/66/69/551276669.db2.gz KWQYEKHSCRDXJA-KRWDZBQOSA-N 1 0 374.533 2.112 20 30 FEEDRO CC[NH+]1CCN(Cc2ccc(CNC(=O)c3cc(C#N)ccn3)cc2)CC1 ZINC000282935518 551287343 /nfs/dbraw/zinc/28/73/43/551287343.db2.gz GFQPLCRQJYQHPU-UHFFFAOYSA-N 1 0 363.465 2.021 20 30 FEEDRO Cc1ccc([C@H](CNS(=O)(=O)N(C)[C@H](C)CC#N)[NH+]2CCCC2)cc1 ZINC000282964164 551290653 /nfs/dbraw/zinc/29/06/53/551290653.db2.gz KTLUUWGGUCAGMD-AEFFLSMTSA-N 1 0 364.515 2.200 20 30 FEEDRO C#Cc1cc(F)c(NC(=O)C(=O)NCC[C@@H](C)[NH+]2CCCCC2)c(F)c1 ZINC000283318617 551347358 /nfs/dbraw/zinc/34/73/58/551347358.db2.gz QCRVNPPDFWSLSD-CYBMUJFWSA-N 1 0 363.408 2.265 20 30 FEEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)NCCC[NH+]1CCCCC1 ZINC000283457637 551369525 /nfs/dbraw/zinc/36/95/25/551369525.db2.gz KUAJSOFAUCMHHR-UHFFFAOYSA-N 1 0 368.481 2.065 20 30 FEEDRO C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC000283707004 551413238 /nfs/dbraw/zinc/41/32/38/551413238.db2.gz VUMNIPPDDALFJT-KRWDZBQOSA-N 1 0 374.533 2.258 20 30 FEEDRO CN1CC[C@H]([NH2+]C[C@H](O)COc2ccc(C#N)cc2)[C@H]1c1ccccc1 ZINC000283835821 551435687 /nfs/dbraw/zinc/43/56/87/551435687.db2.gz CGKREOSARYHPHX-SESVDKBCSA-N 1 0 351.450 2.333 20 30 FEEDRO CC(C)N(Cc1ccc(C#N)cc1)C(=O)C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000283968708 551459335 /nfs/dbraw/zinc/45/93/35/551459335.db2.gz SEOMBMQPCHVNFL-KRWDZBQOSA-N 1 0 370.497 2.143 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCc2ccc3ncccc3c2)CC1 ZINC000284039264 551472882 /nfs/dbraw/zinc/47/28/82/551472882.db2.gz IVAZLJLLXUSKBQ-UHFFFAOYSA-N 1 0 366.465 2.008 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)c2cccc(OC)c2)CC1 ZINC000284134651 551489763 /nfs/dbraw/zinc/48/97/63/551489763.db2.gz OAXMTSAAORCZCC-HNNXBMFYSA-N 1 0 359.470 2.029 20 30 FEEDRO C[C@@H](NC(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)c1ccc(C#N)cc1 ZINC000284169660 551497259 /nfs/dbraw/zinc/49/72/59/551497259.db2.gz YRWPSRGKEKFLLB-APWZRJJASA-N 1 0 368.481 2.212 20 30 FEEDRO Cn1c(CC#N)nnc1SC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000284218748 551506652 /nfs/dbraw/zinc/50/66/52/551506652.db2.gz MINFZWQWOVAOSM-INIZCTEOSA-N 1 0 357.483 2.264 20 30 FEEDRO CC(C)[NH+]1CCC(N2CCN(C(=O)c3ccc(F)c(C#N)c3)CC2)CC1 ZINC000284329429 551525222 /nfs/dbraw/zinc/52/52/22/551525222.db2.gz WNKPSLAZKCIFMR-UHFFFAOYSA-N 1 0 358.461 2.328 20 30 FEEDRO C[NH+]1CCC(Oc2ccc(CNS(=O)(=O)CCCCC#N)cc2)CC1 ZINC000284575388 551581105 /nfs/dbraw/zinc/58/11/05/551581105.db2.gz GTMPAPGXEIHZEW-UHFFFAOYSA-N 1 0 365.499 2.273 20 30 FEEDRO C=CCCO[C@@H](C)C(=O)NCc1ccc(CN2CC[NH+](CC)CC2)cc1 ZINC000498532178 561527175 /nfs/dbraw/zinc/52/71/75/561527175.db2.gz BHRBDHXAIGTIBF-SFHVURJKSA-N 1 0 359.514 2.422 20 30 FEEDRO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@@H](C)c1ccc(S(=O)(=O)CC)cc1 ZINC000284649548 551598804 /nfs/dbraw/zinc/59/88/04/551598804.db2.gz FCECCTACPFQHBL-CABCVRRESA-N 1 0 365.499 2.139 20 30 FEEDRO Cc1onc(CC(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)c1C#N ZINC000498514416 561526515 /nfs/dbraw/zinc/52/65/15/561526515.db2.gz OEVLSOVLTJAYSH-CQSZACIVSA-N 1 0 358.467 2.487 20 30 FEEDRO CC(C)[C@@H](C#N)NC(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1c1cnn(C)c1 ZINC000284776815 551630490 /nfs/dbraw/zinc/63/04/90/551630490.db2.gz FWUSTONWBALEEY-HSALFYBXSA-N 1 0 365.481 2.300 20 30 FEEDRO CC[C@](C)(C#N)C(=O)NCCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000285072891 551700299 /nfs/dbraw/zinc/70/02/99/551700299.db2.gz RMVOTUONLJFWRO-HXUWFJFHSA-N 1 0 358.486 2.263 20 30 FEEDRO Cc1cccc(CCCNC2=[NH+]C[C@@H]3CN(C(=O)OC(C)(C)C)CCN23)n1 ZINC000285150836 551711523 /nfs/dbraw/zinc/71/15/23/551711523.db2.gz RURAUOPOYFDOTE-QGZVFWFLSA-N 1 0 373.501 2.203 20 30 FEEDRO C[C@@H]1C[N@@H+](C)C[C@H](C)N1C(=O)C1CCN(c2ccc(C#N)cc2F)CC1 ZINC000285800350 551812659 /nfs/dbraw/zinc/81/26/59/551812659.db2.gz PTMXFTWNKISPKS-GASCZTMLSA-N 1 0 358.461 2.465 20 30 FEEDRO N#Cc1ccc(N2CC[C@@H](C(=O)N3CC[C@H](C[NH+]4CCCC4)C3)C2)c(F)c1 ZINC000286215229 551862263 /nfs/dbraw/zinc/86/22/63/551862263.db2.gz LBLXPLWIKWYDQS-QZTJIDSGSA-N 1 0 370.472 2.468 20 30 FEEDRO C[C@@H]([NH2+]C1CCN(c2ccc(C#N)cc2)CC1)C(=O)NCc1ccco1 ZINC000286237456 551864369 /nfs/dbraw/zinc/86/43/69/551864369.db2.gz TVGNSARZOCURPA-OAHLLOKOSA-N 1 0 352.438 2.415 20 30 FEEDRO C=CCN1CC[C@@H]([NH2+][C@](C)(CO)c2ccc(Br)cc2)C1=O ZINC000286420318 551884634 /nfs/dbraw/zinc/88/46/34/551884634.db2.gz IHLZYZALTVTDAG-GDBMZVCRSA-N 1 0 353.260 2.033 20 30 FEEDRO CNC(=O)CC[C@@H]1CCCC[N@@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000286386718 551881862 /nfs/dbraw/zinc/88/18/62/551881862.db2.gz IQOVDNOUXBDFCN-INIZCTEOSA-N 1 0 353.426 2.489 20 30 FEEDRO CCN(CCC#N)C(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1c1cnn(C)c1 ZINC000286387466 551881925 /nfs/dbraw/zinc/88/19/25/551881925.db2.gz ZQIQZTVXSVKRLX-UXHICEINSA-N 1 0 365.481 2.398 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N(Cc2ccccc2F)C(C)C)CC1 ZINC000286407737 551884222 /nfs/dbraw/zinc/88/42/22/551884222.db2.gz FDGFBJDEPLFNEA-UHFFFAOYSA-N 1 0 361.461 2.329 20 30 FEEDRO CNC(=O)CC[C@@H]1CCCC[N@@H+]1[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000286471914 551889855 /nfs/dbraw/zinc/88/98/55/551889855.db2.gz NTBXMSMHOUAZQA-HKUYNNGSSA-N 1 0 368.481 2.434 20 30 FEEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC000499043102 561541782 /nfs/dbraw/zinc/54/17/82/561541782.db2.gz KECBGXBYRIAVOR-GOSISDBHSA-N 1 0 370.497 2.095 20 30 FEEDRO C#CC[C@H](Cc1ccccc1)NC(=O)NCCCC[NH+]1CCN(CC)CC1 ZINC000286703629 551916544 /nfs/dbraw/zinc/91/65/44/551916544.db2.gz RFHIJUOMZNGCBJ-OAQYLSRUSA-N 1 0 370.541 2.338 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N(CCC)Cc2ccc(C#N)cc2)CC1 ZINC000286724785 551919024 /nfs/dbraw/zinc/91/90/24/551919024.db2.gz RDMWJTRUBKEQOY-UHFFFAOYSA-N 1 0 368.481 2.063 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N2C[C@H](c3ccc(F)cc3)C[C@H]2C)CC1 ZINC000286737959 551920742 /nfs/dbraw/zinc/92/07/42/551920742.db2.gz RZYNISRMEWAOLX-NVXWUHKLSA-N 1 0 373.472 2.297 20 30 FEEDRO Cc1nc2ccccc2n1C[C@H]1CCCN1C(=O)C(=O)NCCCCC#N ZINC000286845080 551932703 /nfs/dbraw/zinc/93/27/03/551932703.db2.gz ZWADYWSGYNGYMA-MRXNPFEDSA-N 1 0 367.453 2.146 20 30 FEEDRO C=CCCCNC(=O)C(=O)NCC1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000287063977 551958729 /nfs/dbraw/zinc/95/87/29/551958729.db2.gz MGMFKOMQHVBROS-UHFFFAOYSA-N 1 0 373.497 2.106 20 30 FEEDRO C#CCOc1cc(F)ccc1NC(=O)N1C[C@H](N2CCOCC2)C[C@H]1C ZINC000287191642 551974876 /nfs/dbraw/zinc/97/48/76/551974876.db2.gz QANBMNYONNKJPE-GDBMZVCRSA-N 1 0 361.417 2.165 20 30 FEEDRO N#Cc1ccnc(N2CC[NH+](C[C@H](O)Cc3cccc(Cl)c3)CC2)c1 ZINC000287292772 551986092 /nfs/dbraw/zinc/98/60/92/551986092.db2.gz MHGQIJZWDUNLPK-GOSISDBHSA-N 1 0 356.857 2.332 20 30 FEEDRO N#Cc1ncn(CC[NH2+]C2CCN(Cc3c(F)cccc3Cl)CC2)n1 ZINC000287706378 552036453 /nfs/dbraw/zinc/03/64/53/552036453.db2.gz XHRKHWCELUFEOU-UHFFFAOYSA-N 1 0 362.840 2.196 20 30 FEEDRO CC[NH+](CC)[C@@H]1CCN(C(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)C1 ZINC000287938712 552065869 /nfs/dbraw/zinc/06/58/69/552065869.db2.gz PVZWSOVGPOGVHI-IAGOWNOFSA-N 1 0 358.461 2.466 20 30 FEEDRO C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)[C@@H]1C ZINC000288125066 552095507 /nfs/dbraw/zinc/09/55/07/552095507.db2.gz KGVBLRMTURHSRM-HLLBOEOZSA-N 1 0 370.453 2.001 20 30 FEEDRO Cc1onc(CC(=O)NCc2ccc(OCCC[NH+](C)C)cc2)c1C#N ZINC000499947967 561562530 /nfs/dbraw/zinc/56/25/30/561562530.db2.gz UWJNMIRYZITBMB-UHFFFAOYSA-N 1 0 356.426 2.044 20 30 FEEDRO C=CCCCN(C)C(=O)C(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000289034056 552255996 /nfs/dbraw/zinc/25/59/96/552255996.db2.gz GFJVEVUNBNXHRW-PKOBYXMFSA-N 1 0 357.498 2.438 20 30 FEEDRO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 ZINC000289432419 552320869 /nfs/dbraw/zinc/32/08/69/552320869.db2.gz SBWRCBNCMDQVQJ-XVSDVWIESA-N 1 0 364.440 2.308 20 30 FEEDRO C=C(C)CN1CCC([NH2+][C@H]2CCCc3ccc(S(N)(=O)=O)cc32)CC1 ZINC000289725005 552368328 /nfs/dbraw/zinc/36/83/28/552368328.db2.gz LLANVACNGIFGOT-IBGZPJMESA-N 1 0 363.527 2.342 20 30 FEEDRO N#Cc1cncc(S(=O)(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)c1 ZINC000289762214 552374567 /nfs/dbraw/zinc/37/45/67/552374567.db2.gz LQVXGCSEESZPAS-SFHVURJKSA-N 1 0 356.451 2.069 20 30 FEEDRO COc1ccc([C@H]2CCN(CCS(=O)(=O)c3ccc(C#N)cn3)C2)cc1 ZINC000290174758 552438184 /nfs/dbraw/zinc/43/81/84/552438184.db2.gz DZSGZOZFLIFGNT-KRWDZBQOSA-N 1 0 371.462 2.225 20 30 FEEDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N1CCN(c2cc(C#N)ccn2)CC1 ZINC000500824973 561583513 /nfs/dbraw/zinc/58/35/13/561583513.db2.gz DSRSQWPYMIJRLL-GOSISDBHSA-N 1 0 370.501 2.049 20 30 FEEDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1c1nnc(-c2ccc(C#N)cc2)n1C ZINC000290665514 552515765 /nfs/dbraw/zinc/51/57/65/552515765.db2.gz FZUMKVMWBREIIO-HNNXBMFYSA-N 1 0 366.469 2.043 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N2CCC([C@H](O)c3ccc(OC)cc3)CC2)CC1 ZINC000291041772 552579460 /nfs/dbraw/zinc/57/94/60/552579460.db2.gz HHKPXXBNLGCGFJ-OAQYLSRUSA-N 1 0 370.493 2.312 20 30 FEEDRO C[C@H](NC(=O)C(=O)Nc1ccc(C#N)c(F)c1)[C@@H](c1ccccc1)[NH+](C)C ZINC000291247220 552605895 /nfs/dbraw/zinc/60/58/95/552605895.db2.gz JRDVGEPCOIGATQ-UGSOOPFHSA-N 1 0 368.412 2.443 20 30 FEEDRO C[C@H](C(=O)Nc1cccc(C#N)c1)N1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292312368 552714740 /nfs/dbraw/zinc/71/47/40/552714740.db2.gz VKWYBDKDNZUKFM-KDOFPFPSSA-N 1 0 361.405 2.305 20 30 FEEDRO C=CCCCS(=O)(=O)NCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000292711995 552751809 /nfs/dbraw/zinc/75/18/09/552751809.db2.gz UARQKHQMSMUKLO-SFHVURJKSA-N 1 0 352.500 2.029 20 30 FEEDRO CS[C@@H]1CN(C(=O)c2cc(C#N)cc(N(C)C)c2)C[C@H]1[NH+]1CCCC1 ZINC000293514566 552831547 /nfs/dbraw/zinc/83/15/47/552831547.db2.gz OCHZZEAEBKOWCR-QZTJIDSGSA-N 1 0 358.511 2.276 20 30 FEEDRO CC[C@H](CO)[N@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 ZINC000295689771 553044683 /nfs/dbraw/zinc/04/46/83/553044683.db2.gz LLHXWRFVXUZCAA-OAHLLOKOSA-N 1 0 358.442 2.259 20 30 FEEDRO C=CCC[C@@H](O)C[N@@H+]1CCC[C@H](S(=O)(=O)N2CCc3ccccc32)C1 ZINC000502332304 561616438 /nfs/dbraw/zinc/61/64/38/561616438.db2.gz LQIMVYNFDWXGSY-MSOLQXFVSA-N 1 0 364.511 2.170 20 30 FEEDRO C=CCOc1ccc(CC(=O)N2CC[NH+](CC3CCOCC3)CC2)cc1 ZINC000295975616 553083831 /nfs/dbraw/zinc/08/38/31/553083831.db2.gz WACICKBVHWQJQB-UHFFFAOYSA-N 1 0 358.482 2.365 20 30 FEEDRO CC1(C)[C@H]([NH2+]CC(=O)Nc2c(C#N)cnn2-c2ccccc2)[C@H]2CCO[C@@H]21 ZINC000296089844 553103249 /nfs/dbraw/zinc/10/32/49/553103249.db2.gz HJJHQLAAEJETPM-NXHRZFHOSA-N 1 0 365.437 2.086 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)NCc1ccc(C(=O)N2CCCCC2)cc1 ZINC000296371069 553148832 /nfs/dbraw/zinc/14/88/32/553148832.db2.gz RIGHPRHIQSFWRR-UHFFFAOYSA-N 1 0 370.497 2.067 20 30 FEEDRO C[NH+](C)CCN(Cc1ccccc1F)S(=O)(=O)CC(C)(C)CC#N ZINC000296713893 553201806 /nfs/dbraw/zinc/20/18/06/553201806.db2.gz MIDRTYVGILFGEN-UHFFFAOYSA-N 1 0 355.479 2.459 20 30 FEEDRO CNC(=O)[C@H]1CCC[C@@H]1[NH2+]CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000502850949 561627645 /nfs/dbraw/zinc/62/76/45/561627645.db2.gz BVDVNESQKZGLJX-IRXDYDNUSA-N 1 0 356.470 2.054 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@@H](C)[S@@](=O)CC1)C(C)C ZINC000297013404 553242369 /nfs/dbraw/zinc/24/23/69/553242369.db2.gz HONNVOYWOKDCAD-OJLQRUNKSA-N 1 0 355.548 2.238 20 30 FEEDRO N#Cc1cnc(NCc2ccc(C[NH+]3CCC(O)CC3)cc2)c([N+](=O)[O-])c1 ZINC000297198238 553262536 /nfs/dbraw/zinc/26/25/36/553262536.db2.gz RETYOASUZSPNBM-UHFFFAOYSA-N 1 0 367.409 2.430 20 30 FEEDRO CC[N@@H+]1CCCN(C(=O)C(=O)Nc2sc(C(C)(C)C)cc2C#N)CC1 ZINC000297357419 553282911 /nfs/dbraw/zinc/28/29/11/553282911.db2.gz KTAGWSLCSBQFCR-UHFFFAOYSA-N 1 0 362.499 2.410 20 30 FEEDRO Cc1nsc(NC(=O)N2CCN(C3=NCC(C)(C)S3)CC2)c1C#N ZINC000297446091 553293056 /nfs/dbraw/zinc/29/30/56/553293056.db2.gz OOLHYOXYKNFGHG-UHFFFAOYSA-N 1 0 364.500 2.354 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)N(Cc1ccccc1)C[C@@H](O)c1ccco1 ZINC000297516012 553302925 /nfs/dbraw/zinc/30/29/25/553302925.db2.gz PNZLTYUHFBOYQK-LJQANCHMSA-N 1 0 369.465 2.480 20 30 FEEDRO C=C(C)CN(Cc1ccccc1)C(=O)C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000297980981 553366152 /nfs/dbraw/zinc/36/61/52/553366152.db2.gz IJGNIDCUWCOEKA-IBGZPJMESA-N 1 0 357.498 2.392 20 30 FEEDRO C=C(C)CN(Cc1ccccc1)C(=O)C(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000298011677 553370812 /nfs/dbraw/zinc/37/08/12/553370812.db2.gz LDJRBVJDUQLJCH-OAQYLSRUSA-N 1 0 355.482 2.146 20 30 FEEDRO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)[C@@H]1SC ZINC000298130432 553387939 /nfs/dbraw/zinc/38/79/39/553387939.db2.gz PYDMVCNPCBDTKE-XDNAFOTISA-N 1 0 359.495 2.158 20 30 FEEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CC[C@@H]([NH+](CC)CC)C1 ZINC000298222536 553399935 /nfs/dbraw/zinc/39/99/35/553399935.db2.gz AAWDBJFTFSXOJN-LJQANCHMSA-N 1 0 368.481 2.016 20 30 FEEDRO C=C(C)C[C@@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCC[NH+](C)C ZINC000298250777 553403989 /nfs/dbraw/zinc/40/39/89/553403989.db2.gz DOPOLABGGSVIGJ-APWZRJJASA-N 1 0 357.498 2.220 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCN(C(=O)C(C)C)CC1)C(C)C ZINC000503439255 561641381 /nfs/dbraw/zinc/64/13/81/561641381.db2.gz QWVYXGIKSJDRBS-GOSISDBHSA-N 1 0 364.534 2.195 20 30 FEEDRO CCOC1(C)CCN(CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)CC1 ZINC000298323343 553412244 /nfs/dbraw/zinc/41/22/44/553412244.db2.gz QXXJBTHTGDHPDD-OAHLLOKOSA-N 1 0 368.437 2.403 20 30 FEEDRO C#Cc1cccc(NC(=O)CNC(=O)NCCCC[NH+]2CCC(C)CC2)c1 ZINC000298902785 553487407 /nfs/dbraw/zinc/48/74/07/553487407.db2.gz AYBLIZKLSURERU-UHFFFAOYSA-N 1 0 370.497 2.418 20 30 FEEDRO N#CCOc1cccc(NC(=O)C(=O)N2CCC([NH+]3CCCCC3)CC2)c1 ZINC000298949588 553493671 /nfs/dbraw/zinc/49/36/71/553493671.db2.gz LANNZIVIWIVFMM-UHFFFAOYSA-N 1 0 370.453 2.004 20 30 FEEDRO C[C@H](C[S@](C)=O)[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000299064633 553510570 /nfs/dbraw/zinc/51/05/70/553510570.db2.gz SQEMJKQRWVUDMP-BGJPBQGDSA-N 1 0 353.513 2.136 20 30 FEEDRO C[NH+]1CCN(c2ncccc2CNC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000299274026 553540661 /nfs/dbraw/zinc/54/06/61/553540661.db2.gz LLUNGAIJNAVFKN-UHFFFAOYSA-N 1 0 350.426 2.027 20 30 FEEDRO Cc1nnc(N(C)CC[NH+]2CCN(c3ccccc3)CC2)c(C#N)c1C ZINC000301382957 553647380 /nfs/dbraw/zinc/64/73/80/553647380.db2.gz TXGWZYNXVMZULU-UHFFFAOYSA-N 1 0 350.470 2.224 20 30 FEEDRO N#Cc1ccc(C(F)(F)F)nc1N1CCC[C@H]1C[N@H+]1CCC[C@H]1CO ZINC000301576472 553662910 /nfs/dbraw/zinc/66/29/10/553662910.db2.gz YUMQZQGZMKFDHU-KBPBESRZSA-N 1 0 354.376 2.398 20 30 FEEDRO C[N@@H+]1CCN(C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CC1(C)C ZINC000602931868 553672423 /nfs/dbraw/zinc/67/24/23/553672423.db2.gz ITAXPAMUPZJEAL-UHFFFAOYSA-N 1 0 356.405 2.441 20 30 FEEDRO C#CCNC(=O)c1ccc(NC2CC[NH+](CC3(O)CCCCC3)CC2)nc1 ZINC000302037686 553699792 /nfs/dbraw/zinc/69/97/92/553699792.db2.gz MMRYLGMEQMGJQS-UHFFFAOYSA-N 1 0 370.497 2.016 20 30 FEEDRO COc1ccc(CNC(=[NH2+])NC[C@H]2COC3(CCCCC3)O2)cc1OC ZINC000305769772 553748523 /nfs/dbraw/zinc/74/85/23/553748523.db2.gz JJPUYNZWEUVITA-HNNXBMFYSA-N 1 0 363.458 2.184 20 30 FEEDRO CCc1nc(C#N)cc(NCCN2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000308169476 553751749 /nfs/dbraw/zinc/75/17/49/553751749.db2.gz OFLAGPFYPQBNML-UHFFFAOYSA-N 1 0 350.470 2.140 20 30 FEEDRO CC[C@H](C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)[NH+](CC)CC ZINC000505668016 561676911 /nfs/dbraw/zinc/67/69/11/561676911.db2.gz COTRCIOJHUTRKO-ZWKOTPCHSA-N 1 0 356.470 2.290 20 30 FEEDRO C[NH+](C)CCN(C(=O)CCC(=O)N(CCC#N)c1ccccc1)C1CC1 ZINC000505666942 561676975 /nfs/dbraw/zinc/67/69/75/561676975.db2.gz XQDYVAYZZUJRNI-UHFFFAOYSA-N 1 0 356.470 2.266 20 30 FEEDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)N[C@@H]1CCCN(C2CCCCC2)C1=O ZINC000328603389 553795039 /nfs/dbraw/zinc/79/50/39/553795039.db2.gz HRRQEIBUDJYUQA-KURKYZTESA-N 1 0 362.518 2.441 20 30 FEEDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCN(c2ccc3c(c2)OCCO3)C1=O ZINC000328665651 553804587 /nfs/dbraw/zinc/80/45/87/553804587.db2.gz ZJTXXSAFTUGUAX-CVEARBPZSA-N 1 0 373.453 2.252 20 30 FEEDRO Cc1cc(COCC(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)on1 ZINC000328666780 553804789 /nfs/dbraw/zinc/80/47/89/553804789.db2.gz DBMGUHSZHMAQAP-IAGOWNOFSA-N 1 0 351.447 2.224 20 30 FEEDRO Cn1ncc2c1C[C@H](C(=O)NC1CC[NH+]([C@@H]3CCCC[C@@H]3O)CC1)CC2 ZINC000328687880 553807173 /nfs/dbraw/zinc/80/71/73/553807173.db2.gz ZKONVKCJTWYTMJ-BJZITVGISA-N 1 0 360.502 2.249 20 30 FEEDRO C[C@@H]1CN(CCN(C)C(=O)N[C@H]2CCCC23CCOCC3)C[C@H](C)O1 ZINC000328693603 553808425 /nfs/dbraw/zinc/80/84/25/553808425.db2.gz FSCIEELHFIAKCI-BBWFWOEESA-N 1 0 353.507 2.291 20 30 FEEDRO O=C(NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1cn2c(n1)CCCC2 ZINC000328701297 553809166 /nfs/dbraw/zinc/80/91/66/553809166.db2.gz JCAJLXRCUNPEKV-KRWDZBQOSA-N 1 0 354.454 2.291 20 30 FEEDRO CC[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2C[C@@H](C)N(c3ccccc3)C2=O)C1 ZINC000328718576 553811574 /nfs/dbraw/zinc/81/15/74/553811574.db2.gz PXFRPPYXKUYVOM-JFIYKMOQSA-N 1 0 358.486 2.416 20 30 FEEDRO Cc1cc2c(cc1NC(=O)N1CCC[C@H](C[NH+]3CCOCC3)C1)OCO2 ZINC000328750633 553816398 /nfs/dbraw/zinc/81/63/98/553816398.db2.gz QPMVEWHTBNZPSC-OAHLLOKOSA-N 1 0 361.442 2.313 20 30 FEEDRO C[C@H](CNC(=O)c1cccc(NC(=O)[C@@H]2CCCO2)c1)N1CC[NH+](C)CC1 ZINC000328777080 553820672 /nfs/dbraw/zinc/82/06/72/553820672.db2.gz LGYLRQQFXFTHME-QAPCUYQASA-N 1 0 374.485 2.394 20 30 FEEDRO CCC[NH+]1CCC(CNC(=O)N2CCN(Cc3cscn3)CC2)CC1 ZINC000328792351 553822949 /nfs/dbraw/zinc/82/29/49/553822949.db2.gz AEGRIWFXUUYIOM-UHFFFAOYSA-N 1 0 365.547 2.297 20 30 FEEDRO COCC[N@@H+]1CC[C@H](NC(=O)N2CC[C@H](Oc3cccc(Cl)c3)C2)C1 ZINC000328810466 553825677 /nfs/dbraw/zinc/82/56/77/553825677.db2.gz DVSACURWYOWEPS-RDJZCZTQSA-N 1 0 367.877 2.428 20 30 FEEDRO CC(=O)N1CC[C@@H](C[N@@H+](C)CC(=O)Nc2ccc3c(c2)OC(F)(F)O3)C1 ZINC000328822120 553828057 /nfs/dbraw/zinc/82/80/57/553828057.db2.gz IAKLEMVRRGUTJQ-LBPRGKRZSA-N 1 0 369.368 2.396 20 30 FEEDRO C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)CN1CC[C@@H](N2CCCC2=O)C1 ZINC000328829176 553829123 /nfs/dbraw/zinc/82/91/23/553829123.db2.gz JEBDGHWUQCKSTD-KFWWJZLASA-N 1 0 350.463 2.132 20 30 FEEDRO O=C(C[C@H]1CCCS(=O)(=O)C1)NCC1([NH+]2CCCCC2)CCOCC1 ZINC000328890942 553839755 /nfs/dbraw/zinc/83/97/55/553839755.db2.gz SCQZJAMRIMIXPN-MRXNPFEDSA-N 1 0 372.531 2.193 20 30 FEEDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccnn1C ZINC000328890975 553839767 /nfs/dbraw/zinc/83/97/67/553839767.db2.gz SDMKYDBXDSYAKY-RKVPGOIHSA-N 1 0 361.490 2.161 20 30 FEEDRO O=C(CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)NC1CC[NH+](CC2CC2)CC1 ZINC000328919419 553844734 /nfs/dbraw/zinc/84/47/34/553844734.db2.gz SLMMKTTXLBQSLK-CALCHBBNSA-N 1 0 361.486 2.383 20 30 FEEDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C ZINC000505930585 561685547 /nfs/dbraw/zinc/68/55/47/561685547.db2.gz PSSBKGAMPCNLKM-ZRGWGRIASA-N 1 0 351.491 2.485 20 30 FEEDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1cccc(S(=O)(=O)NC2CC2)c1 ZINC000328955447 553853113 /nfs/dbraw/zinc/85/31/13/553853113.db2.gz YYACZZFYGDOKQU-SJORKVTESA-N 1 0 363.483 2.059 20 30 FEEDRO CC[N@@H+]1C[C@H](C)N(C(=O)NCC(=O)N2CCCc3ccccc32)C[C@H]1C ZINC000328975852 553856849 /nfs/dbraw/zinc/85/68/49/553856849.db2.gz PYZUBWYVSMTDDT-CVEARBPZSA-N 1 0 358.486 2.294 20 30 FEEDRO Cn1ccnc1[C@H](NC(=O)N[C@@H]1CCOC2(CCC2)C1)C1CCOCC1 ZINC000328978002 553857321 /nfs/dbraw/zinc/85/73/21/553857321.db2.gz DNRARJLTJVOBLF-HZPDHXFCSA-N 1 0 362.474 2.493 20 30 FEEDRO Cc1nnc2n1C[C@@H](CNC(=O)NC1CC[NH+](CC3CCCC3)CC1)CC2 ZINC000329014015 553864757 /nfs/dbraw/zinc/86/47/57/553864757.db2.gz JFIQTDBORIRKFK-QGZVFWFLSA-N 1 0 374.533 2.307 20 30 FEEDRO CN1CCC([NH+]2CCC(NC(=O)[C@@H]3CC(=O)N(C(C)(C)C)C3)CC2)CC1 ZINC000329049404 553871183 /nfs/dbraw/zinc/87/11/83/553871183.db2.gz KJYVKPLNOMLLJK-OAHLLOKOSA-N 1 0 364.534 2.149 20 30 FEEDRO CCn1ccnc1[C@H]1OCC[C@@H]1NC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000329048753 553871396 /nfs/dbraw/zinc/87/13/96/553871396.db2.gz QQCITFGXHZBPLY-HOTGVXAUSA-N 1 0 363.506 2.500 20 30 FEEDRO Cn1ccnc1[C@H](NC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12)C1CCOCC1 ZINC000329063958 553873901 /nfs/dbraw/zinc/87/39/01/553873901.db2.gz VNYPKIMNIAXRCD-BRWVUGGUSA-N 1 0 361.490 2.018 20 30 FEEDRO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1cnn(CC(=O)NC2CCCC2)c1 ZINC000329088088 553878132 /nfs/dbraw/zinc/87/81/32/553878132.db2.gz HUBJRSSNXDZLRB-PBHICJAKSA-N 1 0 374.489 2.496 20 30 FEEDRO C[NH+](C)C1(CNC(=O)N[C@@H]2CCO[C@]3(CCOC3)C2)CCCCCC1 ZINC000329093458 553878958 /nfs/dbraw/zinc/87/89/58/553878958.db2.gz APWXMNRSXRWTKI-VQIMIIECSA-N 1 0 353.507 2.483 20 30 FEEDRO C[C@@H]1CCC[N@H+](CCNC(=O)N[C@H]2CC(=O)N(C3CCCCC3)C2)C1 ZINC000329091384 553879120 /nfs/dbraw/zinc/87/91/20/553879120.db2.gz ADSUOCQJUBFXBA-CVEARBPZSA-N 1 0 350.507 2.156 20 30 FEEDRO C[C@H]1C[NH+](CCCNC(=O)C2(c3cc(F)cc(C#N)c3)CC2)C[C@H](C)O1 ZINC000506141522 561691606 /nfs/dbraw/zinc/69/16/06/561691606.db2.gz YEDUZRDEGRWEAG-GJZGRUSLSA-N 1 0 359.445 2.344 20 30 FEEDRO C[NH+]1CCC2(CCCN2C(=O)N[C@H]2CCN(c3ccccc3F)C2=O)CC1 ZINC000329100593 553880704 /nfs/dbraw/zinc/88/07/04/553880704.db2.gz ZNPRJXUSVFFDFC-INIZCTEOSA-N 1 0 374.460 2.405 20 30 FEEDRO CCS(=O)(=O)N1CCC[C@H](C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000329136599 553886998 /nfs/dbraw/zinc/88/69/98/553886998.db2.gz CVUQFGRAPDFTFB-GJZGRUSLSA-N 1 0 357.520 2.022 20 30 FEEDRO Cc1nn(C)c(C)c1[C@@H]1COCCN1C(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000329144296 553888321 /nfs/dbraw/zinc/88/83/21/553888321.db2.gz MVQBJYPSMXBKAZ-YOEHRIQHSA-N 1 0 363.506 2.056 20 30 FEEDRO CCn1ccnc1[C@H]1OCC[C@@H]1NC(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000329151105 553890207 /nfs/dbraw/zinc/89/02/07/553890207.db2.gz ZXPYIXXLIQTHCZ-NCOADZHNSA-N 1 0 363.506 2.357 20 30 FEEDRO CN1CC[C@@H]([NH+]2CCC(NC(=O)c3ccc(C(F)(F)F)nc3)CC2)C1=O ZINC000329156993 553891823 /nfs/dbraw/zinc/89/18/23/553891823.db2.gz CYVIGGHHTCMCKU-CYBMUJFWSA-N 1 0 370.375 2.100 20 30 FEEDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)Cn1cc(Br)ccc1=O ZINC000329176670 553895955 /nfs/dbraw/zinc/89/59/55/553895955.db2.gz BYVRAYVNWBEBLT-ZDUSSCGKSA-N 1 0 356.264 2.442 20 30 FEEDRO Cn1nccc1[C@H]1[C@H](CNC(=O)c2c[nH]nc2[C@@H]2CCOC2)CCC[N@@H+]1C ZINC000329179485 553896804 /nfs/dbraw/zinc/89/68/04/553896804.db2.gz MSWBCOGDBVBXNG-PMUMKWKESA-N 1 0 372.473 2.035 20 30 FEEDRO COCCC1(C(=O)NC2CC[NH+]([C@@H]3CCN(C)C3=O)CC2)CCCC1 ZINC000329210374 553902975 /nfs/dbraw/zinc/90/29/75/553902975.db2.gz ZLDUUCQORDXPGI-MRXNPFEDSA-N 1 0 351.491 2.235 20 30 FEEDRO CCn1ccnc1[C@H]1OCC[C@@H]1NC(=O)N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000329231850 553907487 /nfs/dbraw/zinc/90/74/87/553907487.db2.gz KXEIGDNSCOSUQT-YVSFHVDLSA-N 1 0 361.490 2.206 20 30 FEEDRO O=C(NC[C@H]1CCC[N@@H+]1C1CCCCC1)NC[C@H]1CCCS(=O)(=O)C1 ZINC000329237043 553908359 /nfs/dbraw/zinc/90/83/59/553908359.db2.gz OSUQQXZNPLTOQV-NVXWUHKLSA-N 1 0 371.547 2.112 20 30 FEEDRO Cc1cc(NC(=O)N2C[C@@H]3[C@H](C2)OCCN3C)cnc1N1CCCC[C@@H]1C ZINC000329249224 553910638 /nfs/dbraw/zinc/91/06/38/553910638.db2.gz AREYQKYKHFQLMZ-JQHSSLGASA-N 1 0 373.501 2.329 20 30 FEEDRO C[C@@H]1C[C@H](N2CCOCC2)CN1C(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000329253572 553911723 /nfs/dbraw/zinc/91/17/23/553911723.db2.gz ZGHHYRYRWOIEKK-DISONHOPSA-N 1 0 363.502 2.043 20 30 FEEDRO C[NH+](C)[C@H](CNC(=O)N1CC[C@@H](C(=O)N2CCCC2)C1)C1CCCCC1 ZINC000329264687 553913493 /nfs/dbraw/zinc/91/34/93/553913493.db2.gz GUXURLAXKVBIGU-QZTJIDSGSA-N 1 0 364.534 2.355 20 30 FEEDRO C[NH+](C)[C@H](CNC(=O)N1CC[C@H](C(=O)N2CCCC2)C1)C1CCCCC1 ZINC000329264688 553913738 /nfs/dbraw/zinc/91/37/38/553913738.db2.gz GUXURLAXKVBIGU-ZWKOTPCHSA-N 1 0 364.534 2.355 20 30 FEEDRO C[C@@H](NC(=O)N[C@@H](C)c1nnc2n1CCC2)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000329322487 553925388 /nfs/dbraw/zinc/92/53/88/553925388.db2.gz UTTDXYBCSQSPLZ-ILXRZTDVSA-N 1 0 360.506 2.442 20 30 FEEDRO O=C(N[C@H]1CCCS(=O)(=O)C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000329324067 553925464 /nfs/dbraw/zinc/92/54/64/553925464.db2.gz VKJFZJJARVKPLD-KRWDZBQOSA-N 1 0 350.484 2.432 20 30 FEEDRO CC(C)[C@@H]1CN(C(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2ccnn2C)CCO1 ZINC000329409688 553941190 /nfs/dbraw/zinc/94/11/90/553941190.db2.gz BPBVJMVCGBYRRM-RYQLBKOJSA-N 1 0 363.506 2.074 20 30 FEEDRO O=C(NCC1CCN(C(=O)c2ccccc2)CC1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000329412771 553941987 /nfs/dbraw/zinc/94/19/87/553941987.db2.gz FEVZOHLWUZZCLX-GOSISDBHSA-N 1 0 370.497 2.279 20 30 FEEDRO CN1CC[C@@H]([NH+]2CCC(NC(=O)c3c[nH]nc3-c3ccsc3)CC2)C1=O ZINC000329435578 553946627 /nfs/dbraw/zinc/94/66/27/553946627.db2.gz LSIHYGOEPFAPET-OAHLLOKOSA-N 1 0 373.482 2.138 20 30 FEEDRO C[C@H]1CSCCN1C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C ZINC000329438543 553947473 /nfs/dbraw/zinc/94/74/73/553947473.db2.gz JRLLBRHARCYFAW-OFQRWUPVSA-N 1 0 351.520 2.154 20 30 FEEDRO CC[NH+]1CCC(CCNC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)CC1 ZINC000506673619 561705607 /nfs/dbraw/zinc/70/56/07/561705607.db2.gz ACYDVRXMEXTHRH-IBGZPJMESA-N 1 0 351.491 2.486 20 30 FEEDRO Cc1nnc2n1C[C@H](C[NH+]=C([O-])N1CCC[N@@H+](C3CCCC3)CC1)CC2 ZINC000329464899 553951925 /nfs/dbraw/zinc/95/19/25/553951925.db2.gz UUNWNUDFFRVTMR-INIZCTEOSA-N 1 0 360.506 2.013 20 30 FEEDRO O=C(CN1CCOCC2(CC2)C1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000329479042 553954309 /nfs/dbraw/zinc/95/43/09/553954309.db2.gz VACMHCBBRLPSON-UHFFFAOYSA-N 1 0 365.518 2.090 20 30 FEEDRO Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000329485041 553955766 /nfs/dbraw/zinc/95/57/66/553955766.db2.gz QPPHUBLJOBHSCM-QGZVFWFLSA-N 1 0 358.486 2.130 20 30 FEEDRO O=C(NCC1([NH+]2CCCC2)CCOCC1)N1CCC[C@H]1C1CCOCC1 ZINC000329491135 553957274 /nfs/dbraw/zinc/95/72/74/553957274.db2.gz SSBWBRUJPFSUEH-SFHVURJKSA-N 1 0 365.518 2.436 20 30 FEEDRO Cc1noc([C@@H]2CC[C@H](CNC(=O)N3CC[C@H]([NH+]4CCCC4)[C@@H]3C)O2)n1 ZINC000329524867 553962095 /nfs/dbraw/zinc/96/20/95/553962095.db2.gz SJBAVNFFXALZEB-UKMLZYKCSA-N 1 0 363.462 2.071 20 30 FEEDRO Cc1ccc(N2CCC[C@@H](NC(=O)N(C)C3C[C@H]4CC[C@@H](C3)[N@H+]4C)C2)nn1 ZINC000329528160 553962255 /nfs/dbraw/zinc/96/22/55/553962255.db2.gz ICFARWUWANUNKH-HRBLRVMOSA-N 1 0 372.517 2.225 20 30 FEEDRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)C[C@@H](C)NC(=O)C3CCCC3)[C@H]2C1 ZINC000329530813 553962684 /nfs/dbraw/zinc/96/26/84/553962684.db2.gz JBBZNITWZIJALI-HYVNUMGLSA-N 1 0 351.491 2.233 20 30 FEEDRO Cc1noc([C@H](NC(=O)N(C)C[C@H]2CCC[N@H+](C)C2)C2CCOCC2)n1 ZINC000329535515 553963251 /nfs/dbraw/zinc/96/32/51/553963251.db2.gz ZKSSLGOSTXNDQZ-GOEBONIOSA-N 1 0 365.478 2.033 20 30 FEEDRO C[C@@H]1CCC[C@](CNC(=O)N2CC[C@H](NC(=O)NC3CC3)C2)([NH+](C)C)C1 ZINC000329543538 553965041 /nfs/dbraw/zinc/96/50/41/553965041.db2.gz YJLREMFXBGJPAT-ALKREAHSSA-N 1 0 365.522 2.151 20 30 FEEDRO CCC[C@]1(NC(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CCOC1 ZINC000329587691 553972349 /nfs/dbraw/zinc/97/23/49/553972349.db2.gz YTSVPVGHHLMFHO-AOIWGVFYSA-N 1 0 353.507 2.217 20 30 FEEDRO CN1CC[C@H]([NH+]2CCC(NC(=O)COc3cccc(Cl)c3)CC2)C1=O ZINC000329681806 553988015 /nfs/dbraw/zinc/98/80/15/553988015.db2.gz YMASNSNGDBUVDL-INIZCTEOSA-N 1 0 365.861 2.370 20 30 FEEDRO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 ZINC000329795540 554007265 /nfs/dbraw/zinc/00/72/65/554007265.db2.gz DAYUANUEIVIUJN-HUUCEWRRSA-N 1 0 372.469 2.428 20 30 FEEDRO CCC1(C)CC[NH+](CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)CC1 ZINC000507165929 561719903 /nfs/dbraw/zinc/71/99/03/561719903.db2.gz SVQONGSYWMWKJG-UHFFFAOYSA-N 1 0 359.474 2.015 20 30 FEEDRO C[N@@H+]1CCC[C@H](CNC(=O)NC[C@@H]2COCCO2)[C@@H]1c1cccs1 ZINC000329813343 554011081 /nfs/dbraw/zinc/01/10/81/554011081.db2.gz NKVVLGLYDNHFRZ-IIAWOOMASA-N 1 0 353.488 2.050 20 30 FEEDRO CC(C)O[C@@H]1C[C@H](NC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)C1(C)C ZINC000329837433 554015715 /nfs/dbraw/zinc/01/57/15/554015715.db2.gz IGKKTQNRBSKZKF-YESZJQIVSA-N 1 0 353.507 2.147 20 30 FEEDRO CN1CCO[C@H](C(=O)Nc2ccccc2C[N@@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000329858653 554020285 /nfs/dbraw/zinc/02/02/85/554020285.db2.gz OEIISPCUCMAKIG-RDJZCZTQSA-N 1 0 360.458 2.352 20 30 FEEDRO Cc1nnc(CN(C)CC(=O)NC2CC[NH+](C3CCCCC3)CC2)n1C ZINC000329916471 554031015 /nfs/dbraw/zinc/03/10/15/554031015.db2.gz DSODETWZWFCQMG-UHFFFAOYSA-N 1 0 362.522 2.309 20 30 FEEDRO CN1CCO[C@H]2C[N@H+](CCC(=O)Nc3sc4c(c3C#N)CCCC4)C[C@H]21 ZINC000329927404 554033384 /nfs/dbraw/zinc/03/33/84/554033384.db2.gz LNXAYIMVPAYOAJ-CVEARBPZSA-N 1 0 374.510 2.491 20 30 FEEDRO CC[N@@H+]1CCC[C@H]1CN(C)S(=O)(=O)c1cccc(C(=O)NC2CC2)c1 ZINC000329995798 554046258 /nfs/dbraw/zinc/04/62/58/554046258.db2.gz NTKOVYHGAQDSTQ-INIZCTEOSA-N 1 0 365.499 2.258 20 30 FEEDRO COC1(CNC(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CCCCC1 ZINC000330062862 554057545 /nfs/dbraw/zinc/05/75/45/554057545.db2.gz BDOSBCJJJOKTOW-SJORKVTESA-N 1 0 353.507 2.217 20 30 FEEDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)c2cn([C@H]3CCOC3)nn2)CC1 ZINC000330071003 554059244 /nfs/dbraw/zinc/05/92/44/554059244.db2.gz XRIDNDDVKSTKQG-PBHICJAKSA-N 1 0 370.457 2.165 20 30 FEEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1cn([C@H]2CCOC2)nn1 ZINC000330078586 554060682 /nfs/dbraw/zinc/06/06/82/554060682.db2.gz FPKGPSDJTHMLLM-NJAFHUGGSA-N 1 0 369.469 2.455 20 30 FEEDRO C[C@H](NC(=O)C1CCCCC1)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000330182065 554080181 /nfs/dbraw/zinc/08/01/81/554080181.db2.gz HALSZMYEOHFDSO-HOTGVXAUSA-N 1 0 351.491 2.092 20 30 FEEDRO CC(C)CN1CCN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)[C@@H](C)C1=O ZINC000330202066 554084554 /nfs/dbraw/zinc/08/45/54/554084554.db2.gz YVGMVVSDYOKLDP-XYTVBORESA-N 1 0 350.507 2.104 20 30 FEEDRO O=C(N[C@@H]1CCOC2(CCC2)C1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000330211705 554086329 /nfs/dbraw/zinc/08/63/29/554086329.db2.gz DESWXXOPPOQHEZ-QGZVFWFLSA-N 1 0 351.491 2.046 20 30 FEEDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccnn1C ZINC000330238510 554091063 /nfs/dbraw/zinc/09/10/63/554091063.db2.gz HXLWXRVPWFUIHZ-FSZRXZPDSA-N 1 0 361.490 2.016 20 30 FEEDRO CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1CCO[C@H]1C1CC1 ZINC000330242855 554091711 /nfs/dbraw/zinc/09/17/11/554091711.db2.gz CHVQANNSEXRJLY-SVFBPWRDSA-N 1 0 373.497 2.037 20 30 FEEDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NCc1ccc2c(c1)COC2 ZINC000330271050 554097249 /nfs/dbraw/zinc/09/72/49/554097249.db2.gz VHSBYISGIXOTND-HNNXBMFYSA-N 1 0 359.470 2.316 20 30 FEEDRO N#Cc1ncccc1S(=O)(=O)NC[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000330298757 554101859 /nfs/dbraw/zinc/10/18/59/554101859.db2.gz HPCKZWSLYDHKIR-INIZCTEOSA-N 1 0 362.499 2.276 20 30 FEEDRO O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)N1CCOC2(CCCCC2)C1 ZINC000330322228 554105110 /nfs/dbraw/zinc/10/51/10/554105110.db2.gz SKOOUQJIXTXMBL-MSOLQXFVSA-N 1 0 365.518 2.313 20 30 FEEDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1cnn(CCO)c1-c1ccccc1 ZINC000330324758 554105502 /nfs/dbraw/zinc/10/55/02/554105502.db2.gz ITCRONZTYGEMQH-QZTJIDSGSA-N 1 0 354.454 2.474 20 30 FEEDRO C[C@H](CC#N)N(C)S(=O)(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000330427868 554120223 /nfs/dbraw/zinc/12/02/23/554120223.db2.gz UDMYARSDLWCAEF-NUJGCVRESA-N 1 0 364.515 2.108 20 30 FEEDRO COc1ccc([C@H](CNC(=O)N2CCOC(C)(C)C2)[NH+](C)C)cc1OC ZINC000330449377 554123558 /nfs/dbraw/zinc/12/35/58/554123558.db2.gz JATPUVYNEGDCSH-HNNXBMFYSA-N 1 0 365.474 2.331 20 30 FEEDRO COC(=O)c1cc(NC(=O)N2CC[N@H+](C[C@@H](C)O)C[C@@H]2C)cc(C)c1C ZINC000330530427 554134447 /nfs/dbraw/zinc/13/44/47/554134447.db2.gz GGSUPEIHIXLIDQ-UONOGXRCSA-N 1 0 363.458 2.022 20 30 FEEDRO C[C@@H](C[NH+](C)C)NC(=O)c1ccccc1S(=O)(=O)N1CCCCC1 ZINC000330682130 554156952 /nfs/dbraw/zinc/15/69/52/554156952.db2.gz PVHUXQYIBHQPDP-AWEZNQCLSA-N 1 0 353.488 2.116 20 30 FEEDRO CCCS(=O)(=O)Nc1cccc(NC(=O)N2CC[N@H+](C)[C@@H](C)[C@H]2C)c1 ZINC000330708582 554160873 /nfs/dbraw/zinc/16/08/73/554160873.db2.gz NTACTEPKVWNQHI-UONOGXRCSA-N 1 0 368.503 2.408 20 30 FEEDRO Cc1cc(C(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)cc(=O)[nH]1 ZINC000330724085 554163256 /nfs/dbraw/zinc/16/32/56/554163256.db2.gz ZJEKCSOIVJFUTE-UHFFFAOYSA-N 1 0 362.474 2.027 20 30 FEEDRO Cc1ccc(C(=O)N2CCSCC2)cc1NC(=O)NCC[NH+](C)C ZINC000330746406 554166207 /nfs/dbraw/zinc/16/62/07/554166207.db2.gz FTKBYTXQTHNCSK-UHFFFAOYSA-N 1 0 350.488 2.072 20 30 FEEDRO C=CCNC(=O)NC(=O)C[NH2+]C1(c2cccc(Br)c2)CCC1 ZINC000508616811 561767502 /nfs/dbraw/zinc/76/75/02/561767502.db2.gz AFYAGXGOCLCIID-UHFFFAOYSA-N 1 0 366.259 2.430 20 30 FEEDRO CC(C)Oc1c(F)cc(NC(=O)NC[C@@H]2C[N@H+](C)CCN2C)cc1F ZINC000330806594 554174396 /nfs/dbraw/zinc/17/43/96/554174396.db2.gz HREBLXQFXIDHDU-CYBMUJFWSA-N 1 0 356.417 2.324 20 30 FEEDRO CC(C)CNC(=O)N1CCC[C@H](C(=O)NCC[N@@H+]2CCCC[C@H]2C)C1 ZINC000330911904 554186994 /nfs/dbraw/zinc/18/69/94/554186994.db2.gz QQCQLOUUODNBOO-SJORKVTESA-N 1 0 352.523 2.259 20 30 FEEDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NS(=O)(=O)Cc1ccc(F)cc1C#N ZINC000330913371 554187499 /nfs/dbraw/zinc/18/74/99/554187499.db2.gz RRRSAARUGJIXMX-KFWWJZLASA-N 1 0 367.490 2.483 20 30 FEEDRO C=CCOc1ccc(CNC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)cc1 ZINC000508428764 561762047 /nfs/dbraw/zinc/76/20/47/561762047.db2.gz WAUIXLXOZUCYLP-SFHVURJKSA-N 1 0 359.470 2.115 20 30 FEEDRO COc1cc(NC(=O)N2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)ccc1OC(C)C ZINC000330975582 554196196 /nfs/dbraw/zinc/19/61/96/554196196.db2.gz HGWOVTXBWRHFII-GJZGRUSLSA-N 1 0 365.474 2.415 20 30 FEEDRO Cc1cccc(C[N@@H+](C)CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)c1C ZINC000331124743 554217558 /nfs/dbraw/zinc/21/75/58/554217558.db2.gz AXRPBBHAWGWJSN-HXUWFJFHSA-N 1 0 356.514 2.428 20 30 FEEDRO CC[C@H]1CN(C(=O)Nc2cc(NC(C)=O)ccc2F)CC[N@@H+]1C[C@@H](C)O ZINC000331128377 554218045 /nfs/dbraw/zinc/21/80/45/554218045.db2.gz IGHGUVRYBXQJBY-DOMZBBRYSA-N 1 0 366.437 2.107 20 30 FEEDRO CC[C@H](C)n1ncc(NC(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)c1C ZINC000331168560 554224969 /nfs/dbraw/zinc/22/49/69/554224969.db2.gz YWFBMSQLGJQLER-KBPBESRZSA-N 1 0 351.495 2.485 20 30 FEEDRO C=CCn1c(-c2ccc[nH]2)nnc1N1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000508747066 561771346 /nfs/dbraw/zinc/77/13/46/561771346.db2.gz MYNWWYJUJKFIIP-OAHLLOKOSA-N 1 0 356.474 2.149 20 30 FEEDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCC[C@@H](CNC(N)=O)C1 ZINC000331272613 554239525 /nfs/dbraw/zinc/23/95/25/554239525.db2.gz VNVOGHSQWCBVDD-JKSUJKDBSA-N 1 0 353.511 2.205 20 30 FEEDRO C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000332077867 554375356 /nfs/dbraw/zinc/37/53/56/554375356.db2.gz HEHLNNUCZLZYGK-CVEARBPZSA-N 1 0 357.454 2.037 20 30 FEEDRO CC(C)(C)c1csc(NC(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1C#N ZINC000332107024 554381375 /nfs/dbraw/zinc/38/13/75/554381375.db2.gz SAVZPFXPPZRCCS-RISCZKNCSA-N 1 0 360.483 2.066 20 30 FEEDRO CN1CC[NH+](CC2(C)CCN([C@H](C(N)=O)c3ccc(C#N)cc3)CC2)CC1 ZINC000332116452 554383788 /nfs/dbraw/zinc/38/37/88/554383788.db2.gz KEDUKKSAJKIDPS-IBGZPJMESA-N 1 0 369.513 2.484 20 30 FEEDRO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)C1CCN(c2ccc(C#N)cc2F)CC1 ZINC000332401201 554439336 /nfs/dbraw/zinc/43/93/36/554439336.db2.gz SSEXZDQXDKCXIP-GJZGRUSLSA-N 1 0 358.461 2.465 20 30 FEEDRO Cc1ncc(S(=O)(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1C#N ZINC000332612324 554483704 /nfs/dbraw/zinc/48/37/04/554483704.db2.gz PLYUUFFFPOAZPM-HUUCEWRRSA-N 1 0 364.515 2.298 20 30 FEEDRO Cn1cc(C#N)c(=NC(=O)NCc2ccc(OCC[NH+]3CCCC3)cc2)[nH]1 ZINC000610560846 554528732 /nfs/dbraw/zinc/52/87/32/554528732.db2.gz XLAJAHSZLVADEY-UHFFFAOYSA-N 1 0 368.441 2.088 20 30 FEEDRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)[C@]2(C#N)CC23CCCC3)CC1 ZINC000333241147 554593165 /nfs/dbraw/zinc/59/31/65/554593165.db2.gz WKSHMZYHBLREQG-LVCYWYKZSA-N 1 0 358.530 2.477 20 30 FEEDRO C[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)N1CCC(F)(C#N)CC1 ZINC000510936628 561851641 /nfs/dbraw/zinc/85/16/41/561851641.db2.gz PFUMOKLNCFJWML-WMZOPIPTSA-N 1 0 358.461 2.093 20 30 FEEDRO C=CCN([C@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)C[C@H]1CCOC1 ZINC000359912233 554856744 /nfs/dbraw/zinc/85/67/44/554856744.db2.gz YTURMLCUVVQKFN-OALUTQOASA-N 1 0 364.511 2.115 20 30 FEEDRO C=C(C)COc1cc(C[NH2+][C@@H]2CCN(c3ccn(C)n3)C2=O)ccc1OC ZINC000360091341 554862744 /nfs/dbraw/zinc/86/27/44/554862744.db2.gz BZDYZWDTWXANSI-MRXNPFEDSA-N 1 0 370.453 2.279 20 30 FEEDRO CN1CC[NH+](C[C@@H]2CCCN(c3nc(C(F)(F)F)ccc3C#N)C2)CC1 ZINC000361831914 554937209 /nfs/dbraw/zinc/93/72/09/554937209.db2.gz XRFMQRITKWKQRQ-AWEZNQCLSA-N 1 0 367.419 2.436 20 30 FEEDRO C[N@H+]1CC=C(CNC(=O)N[C@@H]2CCCN(c3ccccc3C#N)C2)CC1 ZINC000361988563 554942028 /nfs/dbraw/zinc/94/20/28/554942028.db2.gz WRNANXPDTMGSLB-GOSISDBHSA-N 1 0 353.470 2.088 20 30 FEEDRO N#Cc1ccccc1NC(=O)CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCCC1 ZINC000362942699 555001361 /nfs/dbraw/zinc/00/13/61/555001361.db2.gz QZARNHWANKFXGA-GOSISDBHSA-N 1 0 354.454 2.364 20 30 FEEDRO N#CCCSc1ccccc1NC(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000363034002 555014858 /nfs/dbraw/zinc/01/48/58/555014858.db2.gz GGFODHBANCOCQR-GJZGRUSLSA-N 1 0 372.494 2.374 20 30 FEEDRO C[C@@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)n1cnc(C#N)n1 ZINC000511743367 561879452 /nfs/dbraw/zinc/87/94/52/561879452.db2.gz MZIPWABGBKRMJW-DOTOQJQBSA-N 1 0 366.469 2.128 20 30 FEEDRO C[C@H](CNC(=O)N1CCO[C@H](c2cccc(C#N)c2)C1)C[NH+]1CCCC1 ZINC000363149847 555040902 /nfs/dbraw/zinc/04/09/02/555040902.db2.gz GWXVOGYZJRJUHJ-APWZRJJASA-N 1 0 356.470 2.373 20 30 FEEDRO Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N[C@H]3CCC[C@H]([NH+](C)C)C3)C2)n1 ZINC000363358389 555085113 /nfs/dbraw/zinc/08/51/13/555085113.db2.gz FDXLMLAQVYTMFR-FHWLQOOXSA-N 1 0 369.513 2.467 20 30 FEEDRO Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N[C@@H](C)C[NH+]3CCCCC3)C2)n1 ZINC000363426172 555102641 /nfs/dbraw/zinc/10/26/41/555102641.db2.gz LHBCOWBWPUVEMF-PKOBYXMFSA-N 1 0 369.513 2.469 20 30 FEEDRO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1sccc1C#N)c1cccc(F)c1 ZINC000511926455 561885886 /nfs/dbraw/zinc/88/58/86/561885886.db2.gz QSYOCCBYMWXTJX-AWEZNQCLSA-N 1 0 360.414 2.116 20 30 FEEDRO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1NC(=O)Cc1ccc(OCC#N)cc1 ZINC000363663956 555159030 /nfs/dbraw/zinc/15/90/30/555159030.db2.gz VYGHXMJIHWCEGB-LSTHTHJFSA-N 1 0 371.481 2.137 20 30 FEEDRO COC(=O)[C@H](N[C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C)c1cccc(C#N)c1 ZINC000363707159 555168690 /nfs/dbraw/zinc/16/86/90/555168690.db2.gz PSTIWXUNFLYMIH-XWPNQZOQSA-N 1 0 371.481 2.251 20 30 FEEDRO CN1CC[NH+](C[C@@H]2CCCN(C(=O)C3(c4ccc(C#N)cc4)CC3)C2)CC1 ZINC000363741116 555176609 /nfs/dbraw/zinc/17/66/09/555176609.db2.gz UEIVHCCELPCOFK-IBGZPJMESA-N 1 0 366.509 2.076 20 30 FEEDRO C=CCN(C(=O)N[C@H](C)C[S@@](C)=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000364277635 555283332 /nfs/dbraw/zinc/28/33/32/555283332.db2.gz CZKCPUWLPNIJAC-JTWNBILESA-N 1 0 363.527 2.226 20 30 FEEDRO CN(C(=O)C[N@@H+]1CC[C@]2(C1)c1ccccc1NC2=O)C1(C#N)CCCCC1 ZINC000364432957 555313039 /nfs/dbraw/zinc/31/30/39/555313039.db2.gz DSLJIFCLKCPMPH-NRFANRHFSA-N 1 0 366.465 2.267 20 30 FEEDRO C=CCN(C(=O)COCc1nc(C)no1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000364579262 555343694 /nfs/dbraw/zinc/34/36/94/555343694.db2.gz VKHCBVDDWWUVSA-SFHVURJKSA-N 1 0 370.453 2.184 20 30 FEEDRO C=CCc1ccccc1OC[C@H](O)CN1C[C@H](C)[S@@](=O)[C@@H](CC)C1 ZINC000512438159 561905025 /nfs/dbraw/zinc/90/50/25/561905025.db2.gz APJMYLMBKHSUPD-CABYKGFESA-N 1 0 351.512 2.386 20 30 FEEDRO COC(=O)[C@H]1C[N@@H+]([C@H](C)C(=O)N(CCC#N)c2ccccc2)CC1(C)C ZINC000364764600 555396789 /nfs/dbraw/zinc/39/67/89/555396789.db2.gz OLKPRQZYBUEOPK-NVXWUHKLSA-N 1 0 357.454 2.453 20 30 FEEDRO CCCC[C@@H](ON=C(C)C)C(=O)N1CCC[C@@H](C[NH+]2CCN(C)CC2)C1 ZINC000364922864 555439194 /nfs/dbraw/zinc/43/91/94/555439194.db2.gz WOCOFWZMYZIVDB-RBUKOAKNSA-N 1 0 366.550 2.444 20 30 FEEDRO C=CCOc1cccc(C[NH2+]C[C@@H]2CCCC[C@H]2NS(C)(=O)=O)c1 ZINC000512862652 561918117 /nfs/dbraw/zinc/91/81/17/561918117.db2.gz WAOIMNINKFTQPY-FUHWJXTLSA-N 1 0 352.500 2.449 20 30 FEEDRO Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH2+]CCn1cnc(C#N)n1 ZINC000512895089 561919262 /nfs/dbraw/zinc/91/92/62/561919262.db2.gz NVBVGANIVZVZBQ-UHFFFAOYSA-N 1 0 369.860 2.455 20 30 FEEDRO C=CCOc1ccc(C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)cc1OC ZINC000365337607 555547267 /nfs/dbraw/zinc/54/72/67/555547267.db2.gz CVLXNRZJXGHJSZ-SFHVURJKSA-N 1 0 373.497 2.112 20 30 FEEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000365542955 555604545 /nfs/dbraw/zinc/60/45/45/555604545.db2.gz AODYDDNHIOUKKH-YSIASYRMSA-N 1 0 369.513 2.289 20 30 FEEDRO N#Cc1ccc(-c2nnc(C[NH2+][C@H]3CCCC[C@H]3N3CCOCC3)o2)cc1 ZINC000365617726 555624236 /nfs/dbraw/zinc/62/42/36/555624236.db2.gz CQXPOUSQDZXCEP-ZWKOTPCHSA-N 1 0 367.453 2.341 20 30 FEEDRO C[NH+]1CCC(NC(=O)NCC2CCN(c3ccccc3C#N)CC2)CC1 ZINC000365716233 555648833 /nfs/dbraw/zinc/64/88/33/555648833.db2.gz HBXGCLGVTNJFGA-UHFFFAOYSA-N 1 0 355.486 2.168 20 30 FEEDRO C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1NC(=O)c1c(F)cc(C#N)cc1F ZINC000365959308 555711469 /nfs/dbraw/zinc/71/14/69/555711469.db2.gz IQTDRAAYHNYREN-MRRJBJDNSA-N 1 0 363.408 2.456 20 30 FEEDRO Cc1ccc2ncc(C#N)c(N3CCC(O)(C[NH+]4CCOCC4)CC3)c2c1 ZINC000366243047 555790928 /nfs/dbraw/zinc/79/09/28/555790928.db2.gz RJEXJOSWADHEHM-UHFFFAOYSA-N 1 0 366.465 2.078 20 30 FEEDRO N#Cc1ncn(C2CCN(C(=O)NCCCCC[NH+]3CCCCC3)CC2)n1 ZINC000366311360 555808733 /nfs/dbraw/zinc/80/87/33/555808733.db2.gz MIJSOGXTNSFWEV-UHFFFAOYSA-N 1 0 373.505 2.152 20 30 FEEDRO C[NH+]1CCN(Cc2ccc(C(=O)NCC#Cc3cccc(F)c3)cc2)CC1 ZINC000513918618 561954488 /nfs/dbraw/zinc/95/44/88/561954488.db2.gz NAUNGHHEIVMEJS-UHFFFAOYSA-N 1 0 365.452 2.355 20 30 FEEDRO N#Cc1ccc(NC(=O)CN2CCC(C(=O)Nc3cccnc3)CC2)cc1 ZINC000366514617 555864916 /nfs/dbraw/zinc/86/49/16/555864916.db2.gz XRBQKAHYPYFCLC-UHFFFAOYSA-N 1 0 363.421 2.242 20 30 FEEDRO CCOc1ccc(C#N)cc1NC(=O)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000366623459 555893685 /nfs/dbraw/zinc/89/36/85/555893685.db2.gz XMMHIUWRUPCBRN-UHFFFAOYSA-N 1 0 370.453 2.029 20 30 FEEDRO CC(C)(C)OC(=O)NC[C@@H]1CN(CCCC2(C#N)CCOCC2)CCO1 ZINC000366884798 555959865 /nfs/dbraw/zinc/95/98/65/555959865.db2.gz OOWNTUUOTGZOOA-MRXNPFEDSA-N 1 0 367.490 2.312 20 30 FEEDRO C[C@H]1CN(c2nc3cc(Cl)ccn3c2C#N)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000367436886 556048377 /nfs/dbraw/zinc/04/83/77/556048377.db2.gz TVVGIJAWFBRXHI-GOEBONIOSA-N 1 0 372.904 2.322 20 30 FEEDRO CN(CCC#N)c1ccc(CN2CCC[C@@H]2C[N@@H+]2CCC[C@H]2CO)cc1 ZINC000367467114 556058072 /nfs/dbraw/zinc/05/80/72/556058072.db2.gz IJWPFMHFPARARN-RTWAWAEBSA-N 1 0 356.514 2.458 20 30 FEEDRO N#Cc1ccc(NC(=O)CC[NH+]2CCN(c3ccc(F)cn3)CC2)cc1 ZINC000367732118 556125801 /nfs/dbraw/zinc/12/58/01/556125801.db2.gz YNHSJYJMVNZUHL-UHFFFAOYSA-N 1 0 353.401 2.243 20 30 FEEDRO Cn1ccc(N2CC[C@@H]([NH2+]Cc3cn(C)nc3-c3ccc(C#N)cc3)C2)n1 ZINC000367879227 556162606 /nfs/dbraw/zinc/16/26/06/556162606.db2.gz OKNNHJYPJKFDBL-GOSISDBHSA-N 1 0 361.453 2.061 20 30 FEEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@H]1CN(C2CC2)CCO1 ZINC000368169433 556236070 /nfs/dbraw/zinc/23/60/70/556236070.db2.gz YHAYSCXIRLGOQZ-IBGZPJMESA-N 1 0 354.454 2.119 20 30 FEEDRO Cc1c(C[NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)cccc1[N+](=O)[O-] ZINC000515348017 562006418 /nfs/dbraw/zinc/00/64/18/562006418.db2.gz SOYPLGHZTNFFOQ-QGZVFWFLSA-N 1 0 355.394 2.499 20 30 FEEDRO N#Cc1ccc2ncc(C[NH2+]C[C@@H]3CCN(C(=O)Cc4ccccc4)C3)n2c1 ZINC000368560236 556346048 /nfs/dbraw/zinc/34/60/48/556346048.db2.gz BECDNABZYPXKOO-IBGZPJMESA-N 1 0 373.460 2.387 20 30 FEEDRO C=CC[C@@H](C(=O)N1CCN([C@H]2CCCCNC2=O)CC1)c1ccccc1 ZINC000368749870 556404943 /nfs/dbraw/zinc/40/49/43/556404943.db2.gz JZSNJBBMICUUOD-MOPGFXCFSA-N 1 0 355.482 2.159 20 30 FEEDRO N#Cc1cccc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CCCCCC3)C2)c1 ZINC000368869362 556433879 /nfs/dbraw/zinc/43/38/79/556433879.db2.gz PXYQXFSFOQUMCT-KRWDZBQOSA-N 1 0 354.454 2.410 20 30 FEEDRO CCC[N@@H+]1CC[C@H](CNC(=O)Nc2cc(C)n(-c3cccc(C#N)c3)n2)C1 ZINC000368880958 556437682 /nfs/dbraw/zinc/43/76/82/556437682.db2.gz WESXKVBVJMPAJT-QGZVFWFLSA-N 1 0 366.469 2.906 20 30 FEEDRO N#Cc1c(NC(=O)CC[N@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)sc2c1CCC2 ZINC000368967202 556461907 /nfs/dbraw/zinc/46/19/07/556461907.db2.gz VSWNDAPZHKTZLW-JKDFXYPNSA-N 1 0 372.494 2.023 20 30 FEEDRO CCC[N@@H+]1CC[C@H](CNC(=O)N2CCC(C#N)(c3ccccn3)CC2)C1 ZINC000369105812 556506633 /nfs/dbraw/zinc/50/66/33/556506633.db2.gz BACFIKSQFHGUJP-QGZVFWFLSA-N 1 0 355.486 2.380 20 30 FEEDRO C[C@@H]1CN(C(=O)NCC2CCC(C#N)CC2)CCN1C1CC[NH+](C)CC1 ZINC000369108020 556507306 /nfs/dbraw/zinc/50/73/06/556507306.db2.gz YSRSNTRWDDPZMC-WWDZGPRUSA-N 1 0 361.534 2.126 20 30 FEEDRO CCC[NH+]1CCN(C2CCN(C(=O)c3ccc(C)c(C#N)c3)CC2)CC1 ZINC000369128933 556511890 /nfs/dbraw/zinc/51/18/90/556511890.db2.gz ZKRFYFWIBSXJQI-UHFFFAOYSA-N 1 0 354.498 2.499 20 30 FEEDRO C=CCN1CC[C@@H]([NH+]2CCC(Cn3cc(Br)cn3)CC2)C1=O ZINC000369198806 556533274 /nfs/dbraw/zinc/53/32/74/556533274.db2.gz QHMJSJHPROKDHX-OAHLLOKOSA-N 1 0 367.291 2.145 20 30 FEEDRO CC[NH+](CC)[C@@H](CNC(=O)N1CCN(C2CC2)[C@H](C#N)C1)c1ccco1 ZINC000369218465 556539111 /nfs/dbraw/zinc/53/91/11/556539111.db2.gz ISKBLXXWFJEGGJ-SJORKVTESA-N 1 0 359.474 2.044 20 30 FEEDRO Cc1nc(C)n(C[C@@H]2CCCC[N@@H+]2C[C@H](O)COc2ccc(C#N)cc2)n1 ZINC000369238861 556545563 /nfs/dbraw/zinc/54/55/63/556545563.db2.gz SPMLBZZCADYQRQ-OALUTQOASA-N 1 0 369.469 2.061 20 30 FEEDRO Cn1cc([C@H](O)C[C@H]2CCC[N@@H+]2CCC(=O)Nc2sccc2C#N)cn1 ZINC000369284440 556564734 /nfs/dbraw/zinc/56/47/34/556564734.db2.gz RDKDUYAZOHDDSV-HZPDHXFCSA-N 1 0 373.482 2.270 20 30 FEEDRO CN1CC[NH+](C[C@@H]2CCCN(C(=O)/C=C/c3cccc(C#N)c3)C2)CC1 ZINC000369310800 556571255 /nfs/dbraw/zinc/57/12/55/556571255.db2.gz SPCZMKULPMGOBH-DUIUGDAFSA-N 1 0 352.482 2.057 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCN(c3ccccc3OC)C2)CC1 ZINC000369421801 556596871 /nfs/dbraw/zinc/59/68/71/556596871.db2.gz OUBZFZHLCKXSEW-GOSISDBHSA-N 1 0 355.482 2.125 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)CCc2nnc(-c3ccsc3)o2)CC1 ZINC000369594383 556641754 /nfs/dbraw/zinc/64/17/54/556641754.db2.gz YFKUSQWFTKKEBN-UHFFFAOYSA-N 1 0 358.467 2.335 20 30 FEEDRO C=C(C)Cn1c(SCC(=O)N[C@@H](C)C[NH+](C)C)nnc1-c1ccco1 ZINC000516328589 562039885 /nfs/dbraw/zinc/03/98/85/562039885.db2.gz XZKUHEHCRNSUMW-ZDUSSCGKSA-N 1 0 363.487 2.273 20 30 FEEDRO N#C[C@]1(C(=O)N2CC[NH+](CC3CCOCC3)CC2)CCc2ccccc2C1 ZINC000369851245 556711819 /nfs/dbraw/zinc/71/18/19/556711819.db2.gz IVBWZEFXYNOKIG-QFIPXVFZSA-N 1 0 367.493 2.256 20 30 FEEDRO C=CCC[C@H](C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1)c1ccccc1 ZINC000369956483 556741121 /nfs/dbraw/zinc/74/11/21/556741121.db2.gz BZTBIEGWFYGIRJ-SFTDATJTSA-N 1 0 371.525 2.259 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H]2c3ccccc3CC[C@H]2CO)cc1 ZINC000370092265 556778646 /nfs/dbraw/zinc/77/86/46/556778646.db2.gz FGLQXSMIEXSJDW-PXNSSMCTSA-N 1 0 370.474 2.218 20 30 FEEDRO N#Cc1cccc(CNC(=O)CN2CCC(OC[C@H]3CCCCO3)CC2)c1 ZINC000370213782 556812741 /nfs/dbraw/zinc/81/27/41/556812741.db2.gz BXMIAYQNLUSGRE-HXUWFJFHSA-N 1 0 371.481 2.225 20 30 FEEDRO C=CCN(C(=O)c1cc(C(N)=O)cn1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000370327116 556840210 /nfs/dbraw/zinc/84/02/10/556840210.db2.gz SURHSKPMYIXORE-SFHVURJKSA-N 1 0 366.465 2.027 20 30 FEEDRO Cc1sc(NC(=O)CN2CC[NH+]([C@@H]3CCSC3)CC2)c(C#N)c1C ZINC000370406587 556863100 /nfs/dbraw/zinc/86/31/00/556863100.db2.gz OAJMCLOZFPJJLY-CQSZACIVSA-N 1 0 364.540 2.298 20 30 FEEDRO C=CCOc1ccccc1CNC(=O)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000516798333 562058338 /nfs/dbraw/zinc/05/83/38/562058338.db2.gz YAGVVKPSVIHMCV-UHFFFAOYSA-N 1 0 373.497 2.104 20 30 FEEDRO CN1CC[NH+](C2(CNc3nccc(C#N)c3[N+](=O)[O-])CCCCCC2)CC1 ZINC000370531469 556901296 /nfs/dbraw/zinc/90/12/96/556901296.db2.gz PNQYJFSKMDPHAJ-UHFFFAOYSA-N 1 0 372.473 2.614 20 30 FEEDRO C[C@H](Oc1ccccc1C#N)C(=O)N1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000370824304 556980761 /nfs/dbraw/zinc/98/07/61/556980761.db2.gz QLMNQPFRNBEIJE-PCODUJHASA-N 1 0 357.454 2.036 20 30 FEEDRO CN1C(=O)N[C@@]2(CCC[C@@H]2C[NH2+]Cc2cccc(OCCCC#N)c2)C1=O ZINC000371093473 557072901 /nfs/dbraw/zinc/07/29/01/557072901.db2.gz KTADORFBMWHVTG-OXQOHEQNSA-N 1 0 370.453 2.179 20 30 FEEDRO C=CCCO[C@@H](C)C(=O)NCCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000371094162 557073382 /nfs/dbraw/zinc/07/33/82/557073382.db2.gz OEQPZDADSYLRDV-KRWDZBQOSA-N 1 0 351.535 2.280 20 30 FEEDRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2CCC(=O)Nc1sccc1C#N ZINC000371299072 557136263 /nfs/dbraw/zinc/13/62/63/557136263.db2.gz CKGFFJXJLUFBBT-PMPSAXMXSA-N 1 0 362.499 2.132 20 30 FEEDRO CC1(C)C(=O)N[C@@H]1C1CC[NH+](CCC(=O)Nc2sccc2C#N)CC1 ZINC000517388175 562088010 /nfs/dbraw/zinc/08/80/10/562088010.db2.gz YUKGUVPLXHAPIH-OAHLLOKOSA-N 1 0 360.483 2.185 20 30 FEEDRO N#Cc1ccc2ncc(C[NH+]3CCC(CC[NH+]4CCOCC4)CC3)n2c1 ZINC000371415341 557178473 /nfs/dbraw/zinc/17/84/73/557178473.db2.gz CPNXZZHZBAPGFZ-UHFFFAOYSA-N 1 0 353.470 2.140 20 30 FEEDRO C[NH+]1CCC(C#N)(NC(=O)C2CCC(NC(=O)CC3CCCC3)CC2)CC1 ZINC000517581779 562092982 /nfs/dbraw/zinc/09/29/82/562092982.db2.gz XSBCKYUEZUNPMU-UHFFFAOYSA-N 1 0 374.529 2.346 20 30 FEEDRO C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1c[nH+]ccc1N1CCN(C)CC1 ZINC000517651104 562094664 /nfs/dbraw/zinc/09/46/64/562094664.db2.gz VZQMALYITWYZQA-OAHLLOKOSA-N 1 0 365.437 2.111 20 30 FEEDRO CN(C)CC[NH+]1CCC(CNC(=O)[C@]2(C#N)CCc3ccccc3C2)CC1 ZINC000371514289 557206859 /nfs/dbraw/zinc/20/68/59/557206859.db2.gz LWCZVESLGIWQTE-JOCHJYFZSA-N 1 0 368.525 2.075 20 30 FEEDRO CCN(CC)C(=O)CCC(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000371533137 557212709 /nfs/dbraw/zinc/21/27/09/557212709.db2.gz DQSBZXWFADMINB-UHFFFAOYSA-N 1 0 370.497 2.310 20 30 FEEDRO CC(C)(C)CC(=O)NCC(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000371534058 557213465 /nfs/dbraw/zinc/21/34/65/557213465.db2.gz MBGSZCKUTRHCPM-UHFFFAOYSA-N 1 0 370.497 2.213 20 30 FEEDRO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+](C)C[C@H]1CCCN1c1cccnn1 ZINC000371548948 557218170 /nfs/dbraw/zinc/21/81/70/557218170.db2.gz BDZULLLLLCDDHQ-DLBZAZTESA-N 1 0 370.501 2.108 20 30 FEEDRO C=CCSCCNC(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cnn(C)c1 ZINC000371739104 557279799 /nfs/dbraw/zinc/27/97/99/557279799.db2.gz JJVZIWUEYSHJKN-ZBFHGGJFSA-N 1 0 351.520 2.021 20 30 FEEDRO CC(=O)Nc1ccc(OC[C@@H](O)C[NH2+]CCc2cccc(C#N)c2)cc1 ZINC000518520331 562113640 /nfs/dbraw/zinc/11/36/40/562113640.db2.gz HVGLDZPRZNPAAG-IBGZPJMESA-N 1 0 353.422 2.089 20 30 FEEDRO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccc(C#N)c(F)c1)c1cccs1 ZINC000518447794 562111724 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C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1NC(=O)NCc1ccc(C#N)cc1 ZINC000372653765 557530353 /nfs/dbraw/zinc/53/03/53/557530353.db2.gz FTTFAKWSMRSVNF-MNEFBYGVSA-N 1 0 356.470 2.247 20 30 FEEDRO C[C@](CO)(C[NH2+]CCS(=O)(=O)c1cccc(C#N)c1)Cc1ccccc1 ZINC000519645620 562138486 /nfs/dbraw/zinc/13/84/86/562138486.db2.gz BSGCZTGQOIUXRU-HXUWFJFHSA-N 1 0 372.490 2.163 20 30 FEEDRO CCOC(=O)c1c[n-]n(C2CCN(CC#Cc3ccccc3)CC2)c1=N ZINC000372815570 557567575 /nfs/dbraw/zinc/56/75/75/557567575.db2.gz PFUVNCASPOSIBH-UHFFFAOYSA-N 1 0 352.438 2.161 20 30 FEEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)N[C@@H]3CCO[C@H]3C3CC3)CC2)cc1 ZINC000372858913 557576545 /nfs/dbraw/zinc/57/65/45/557576545.db2.gz SPKOMFKUWDJZKY-UXHICEINSA-N 1 0 368.481 2.343 20 30 FEEDRO C=CCNC(=O)NC(=O)C[N@H+](C)CCCc1cc(-c2ccc(F)cc2)no1 ZINC000372945528 557594316 /nfs/dbraw/zinc/59/43/16/557594316.db2.gz HULNXHHUWCGISR-UHFFFAOYSA-N 1 0 374.416 2.357 20 30 FEEDRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(Cc2ccc(F)c(C#N)c2Cl)CC1 ZINC000373014780 557610252 /nfs/dbraw/zinc/61/02/52/557610252.db2.gz OWYFSRGERNLAGD-INIZCTEOSA-N 1 0 364.852 2.089 20 30 FEEDRO C[N@H+](CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)C(C)(C)C ZINC000519825693 562145538 /nfs/dbraw/zinc/14/55/38/562145538.db2.gz LKVJRHSSWKHGIX-UHFFFAOYSA-N 1 0 371.441 2.185 20 30 FEEDRO CC[C@@H]1C[N@H+](C)CCN1C(=O)CCC(=O)N(CCC#N)c1ccccc1 ZINC000519838482 562146142 /nfs/dbraw/zinc/14/61/42/562146142.db2.gz GVMFIFIEXRIPGE-QGZVFWFLSA-N 1 0 356.470 2.266 20 30 FEEDRO COc1cccc(C(=O)NCC[NH2+][C@@H]2CCC[C@@H]3O[C@@H](CC#N)C[C@@H]32)c1 ZINC000373228494 557653872 /nfs/dbraw/zinc/65/38/72/557653872.db2.gz NUEFXKUWEMOJBT-MANSERQUSA-N 1 0 357.454 2.254 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H]2CC(=O)N(Cc3ccccc3)[C@H]2C)CC1 ZINC000373948180 557793848 /nfs/dbraw/zinc/79/38/48/557793848.db2.gz AGUAEWNYBGDIAE-QFBILLFUSA-N 1 0 370.497 2.126 20 30 FEEDRO Cn1cc([C@@H]2[C@@H](CNC(=O)NCC3CCC(C#N)CC3)CCC[N@@H+]2C)cn1 ZINC000374143363 557831282 /nfs/dbraw/zinc/83/12/82/557831282.db2.gz MCFKPNQRZKXBGI-WXVPWVKJSA-N 1 0 372.517 2.432 20 30 FEEDRO COC(=O)[C@@H]1C[N@H+](C[C@@H](O)c2ccc(C#N)cc2)C[C@H]1c1ccccc1 ZINC000374161663 557834292 /nfs/dbraw/zinc/83/42/92/557834292.db2.gz KJEYKEZMDQDHKE-XUVXKRRUSA-N 1 0 350.418 2.480 20 30 FEEDRO C[NH+]1CCC(C#N)(NC(=O)c2ccc(CNC(=O)C3CCCC3)cc2)CC1 ZINC000520991932 562167151 /nfs/dbraw/zinc/16/71/51/562167151.db2.gz NAMOFFWPBUOVDD-UHFFFAOYSA-N 1 0 368.481 2.211 20 30 FEEDRO CCN(C[C@H](C)C#N)S(=O)(=O)N1CCC[C@@H]([NH+]2CCCCCC2)C1 ZINC000374455605 557886285 /nfs/dbraw/zinc/88/62/85/557886285.db2.gz BLTDQXMKRPCBQC-IAGOWNOFSA-N 1 0 356.536 2.053 20 30 FEEDRO Cc1cc(C#N)ccc1C(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000374972224 557958069 /nfs/dbraw/zinc/95/80/69/557958069.db2.gz UWGRTOUWNAAXBX-UHFFFAOYSA-N 1 0 354.498 2.356 20 30 FEEDRO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(Nc2ccc(C#N)cn2)CC1 ZINC000375019329 557965210 /nfs/dbraw/zinc/96/52/10/557965210.db2.gz VNQSDWFUSVFBNR-GOSISDBHSA-N 1 0 355.486 2.619 20 30 FEEDRO C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000375294938 558005335 /nfs/dbraw/zinc/00/53/35/558005335.db2.gz ZQKPLUJUYPVNFG-AWEZNQCLSA-N 1 0 350.413 2.237 20 30 FEEDRO N#CCCN(C(=O)C[NH2+][C@@H]1CCC(=O)N[C@H]1C1CC1)c1cccc(Cl)c1 ZINC000375338664 558011768 /nfs/dbraw/zinc/01/17/68/558011768.db2.gz SHGIYXUYXLSRPY-APWZRJJASA-N 1 0 374.872 2.233 20 30 FEEDRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C[C@@H](CC#N)c3ccccc3)CC2)C1 ZINC000375694215 558068727 /nfs/dbraw/zinc/06/87/27/558068727.db2.gz WIDOGODAMUYIBV-WOJBJXKFSA-N 1 0 354.498 2.312 20 30 FEEDRO C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)C[N@@H+]1C1CC1 ZINC000376220073 558143478 /nfs/dbraw/zinc/14/34/78/558143478.db2.gz HTHWBDYVSYYHTN-FVQBIDKESA-N 1 0 356.445 2.265 20 30 FEEDRO C#CCOc1ccccc1NC(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000376332410 558159171 /nfs/dbraw/zinc/15/91/71/558159171.db2.gz KUJYTSIXVGTIEF-PKOBYXMFSA-N 1 0 370.497 2.188 20 30 FEEDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1ccc(-n2ncc(C#N)c2N)cc1 ZINC000376568844 558191847 /nfs/dbraw/zinc/19/18/47/558191847.db2.gz ISDFMRURIBUHFD-KDOFPFPSSA-N 1 0 364.453 2.025 20 30 FEEDRO CC(C)[C@](C)(C#N)NC(=O)CN1CCC2(C[C@H]2C(=O)N2CCCCC2)CC1 ZINC000376641019 558201881 /nfs/dbraw/zinc/20/18/81/558201881.db2.gz IHRYGACNCMRLOC-PXNSSMCTSA-N 1 0 374.529 2.155 20 30 FEEDRO C[N@@H+]1CC[C@H](CNC(=O)C2CCN(c3c(F)cc(C#N)cc3F)CC2)C1 ZINC000376640489 558201898 /nfs/dbraw/zinc/20/18/98/558201898.db2.gz IHIZJCDVPNPJGZ-CYBMUJFWSA-N 1 0 362.424 2.121 20 30 FEEDRO Cc1cc(C)cc(OCC[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)c1 ZINC000521862387 562185223 /nfs/dbraw/zinc/18/52/23/562185223.db2.gz AAVWMYZJQVQGPM-UHFFFAOYSA-N 1 0 359.451 2.012 20 30 FEEDRO C=CCCCCCCNC(=O)N1CCC([NH2+][C@H]2CCS(=O)(=O)C2)CC1 ZINC000377044103 558255265 /nfs/dbraw/zinc/25/52/65/558255265.db2.gz OAGDSSNEBKWDRD-KRWDZBQOSA-N 1 0 371.547 2.074 20 30 FEEDRO CC[N@@H+]1CCc2c(cccc2NC(=O)C(=O)NCC(C)(C)CCC#N)C1 ZINC000377259278 558300160 /nfs/dbraw/zinc/30/01/60/558300160.db2.gz KSECGXAXYNEQSZ-UHFFFAOYSA-N 1 0 356.470 2.449 20 30 FEEDRO CCCC[N@H+](C)C[C@H](C)NC(=O)[C@H]1CCC(=O)N1Cc1cccc(C#N)c1 ZINC000377443320 558341653 /nfs/dbraw/zinc/34/16/53/558341653.db2.gz SFTMQGPOIQWRRC-QFBILLFUSA-N 1 0 370.497 2.286 20 30 FEEDRO C#CCOc1ccc(C[NH+]2CCC(C(=O)Nc3nncs3)CC2)cc1 ZINC000377693781 558399356 /nfs/dbraw/zinc/39/93/56/558399356.db2.gz HUFGVGQXCMMODR-UHFFFAOYSA-N 1 0 356.451 2.401 20 30 FEEDRO N#Cc1cccnc1N1CCCN(Cc2cnc(C3OCCO3)s2)CC1 ZINC000377705152 558401283 /nfs/dbraw/zinc/40/12/83/558401283.db2.gz SOAAHAMEIWGLLP-UHFFFAOYSA-N 1 0 371.466 2.167 20 30 FEEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000377735135 558407850 /nfs/dbraw/zinc/40/78/50/558407850.db2.gz UHDVRUYPEIWRIQ-MSOLQXFVSA-N 1 0 372.469 2.408 20 30 FEEDRO C[NH+](C)C[C@H]1CN(S(=O)(=O)CCC(C)(C)C#N)c2ccccc2O1 ZINC000377889977 558442690 /nfs/dbraw/zinc/44/26/90/558442690.db2.gz RLHFVBOFDXVBLN-AWEZNQCLSA-N 1 0 351.472 2.085 20 30 FEEDRO C=CCCO[C@@H](C)C(=O)Nc1ccccc1C[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000522890148 562205644 /nfs/dbraw/zinc/20/56/44/562205644.db2.gz OKECFUJCTIVSFT-RDJZCZTQSA-N 1 0 359.470 2.304 20 30 FEEDRO CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCC2(C[C@@H]2C(=O)N2CCCCC2)CC1 ZINC000378405796 558549361 /nfs/dbraw/zinc/54/93/61/558549361.db2.gz DPPLRCMEYTYZSR-QZTJIDSGSA-N 1 0 374.529 2.109 20 30 FEEDRO C[N@@H+]1CC[C@H]2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3C#N)C[C@H]21 ZINC000378459778 558562662 /nfs/dbraw/zinc/56/26/62/558562662.db2.gz ZPPHWSBYPUINRI-SMDDNHRTSA-N 1 0 373.400 2.292 20 30 FEEDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000523581072 562215562 /nfs/dbraw/zinc/21/55/62/562215562.db2.gz ICYHDZVCWXTJCZ-FQEVSTJZSA-N 1 0 369.513 2.260 20 30 FEEDRO CCCC(=O)NC[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000523607393 562215808 /nfs/dbraw/zinc/21/58/08/562215808.db2.gz XIJMOINCYXXOBE-TXPKVOOTSA-N 1 0 350.507 2.058 20 30 FEEDRO N#Cc1ccc(N2CC[C@@H](N3CC[C@@](O)(c4ccc(F)cc4)C3)C2=O)cc1 ZINC000378514608 558573054 /nfs/dbraw/zinc/57/30/54/558573054.db2.gz FZVSPBCWDQCMEP-CTNGQTDRSA-N 1 0 365.408 2.396 20 30 FEEDRO Cn1cc([C@@H]([NH2+]C[C@@H](O)COc2ccc(C#N)cc2)c2ccccc2)cn1 ZINC000378650027 558600724 /nfs/dbraw/zinc/60/07/24/558600724.db2.gz WIQWROVWQPYDAN-CTNGQTDRSA-N 1 0 362.433 2.411 20 30 FEEDRO CN(C(=O)C[N@@H+]1CCC[C@H](C(=O)N2CCCC2)C1)C1(C#N)CCCCC1 ZINC000408129714 558649603 /nfs/dbraw/zinc/64/96/03/558649603.db2.gz BDHRVTSVOYOUJN-KRWDZBQOSA-N 1 0 360.502 2.006 20 30 FEEDRO CCN(CCC#N)S(=O)(=O)NCc1ccccc1C[NH+](CC)CC ZINC000409534840 558700935 /nfs/dbraw/zinc/70/09/35/558700935.db2.gz LRKMFRMPXLYHQA-UHFFFAOYSA-N 1 0 352.504 2.098 20 30 FEEDRO CC[N@H+](CCC1CCN(C(=O)[C@@H](C)n2cnc(C#N)n2)CC1)CC1CC1 ZINC000409888481 558724779 /nfs/dbraw/zinc/72/47/79/558724779.db2.gz BHXFMFJIQBMXLM-OAHLLOKOSA-N 1 0 358.490 2.071 20 30 FEEDRO CCC[C@H]1CN(C(=O)[C@H](C)n2cnc(C#N)n2)CC[N@@H+]1Cc1ccccc1 ZINC000409901394 558726223 /nfs/dbraw/zinc/72/62/23/558726223.db2.gz NHHIZIUQVWUYCU-WMZOPIPTSA-N 1 0 366.469 2.224 20 30 FEEDRO CCN(C[C@H](C)C#N)S(=O)(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000410137717 558741313 /nfs/dbraw/zinc/74/13/13/558741313.db2.gz NYWWQJJXGIXGIJ-HZPDHXFCSA-N 1 0 366.531 2.432 20 30 FEEDRO CC[NH+](CC)CCCC1CCN(C(=O)C(=O)N2CCC(C#N)CC2)CC1 ZINC000410429275 558757289 /nfs/dbraw/zinc/75/72/89/558757289.db2.gz CDGMKADFDKXBSC-UHFFFAOYSA-N 1 0 362.518 2.109 20 30 FEEDRO C=CCNC(=O)CN1CCN(Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000411124127 558841106 /nfs/dbraw/zinc/84/11/06/558841106.db2.gz GMIPYFSDOYNISD-UHFFFAOYSA-N 1 0 370.541 2.092 20 30 FEEDRO CC(C)(CC#N)CNC(=O)C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000411629257 558932179 /nfs/dbraw/zinc/93/21/79/558932179.db2.gz BIOATMKOAKMYIB-UHFFFAOYSA-N 1 0 374.510 2.230 20 30 FEEDRO C=CC[N@@H+](C)CCN(CC)[C@@H](C)C(=O)NC(=O)Nc1ccccc1F ZINC000411645007 558935241 /nfs/dbraw/zinc/93/52/41/558935241.db2.gz SAHIKWXEKWIULH-AWEZNQCLSA-N 1 0 350.438 2.302 20 30 FEEDRO C[NH+](C)CCN(Cc1ccsc1)C(=O)C(=O)Nc1ccc(C#N)c(F)c1 ZINC000411694193 558945680 /nfs/dbraw/zinc/94/56/80/558945680.db2.gz NAGMUOWFPJAWNS-UHFFFAOYSA-N 1 0 374.441 2.288 20 30 FEEDRO N#Cc1ccccc1NC(=O)CC[NH2+]C1(C(N)=O)C2CC3CC(C2)CC1C3 ZINC000411828876 558971398 /nfs/dbraw/zinc/97/13/98/558971398.db2.gz WIHQLPMDFRJNAK-UHFFFAOYSA-N 1 0 366.465 2.157 20 30 FEEDRO C[C@H]1C[C@@H](NC(=O)NC2CCC(Oc3ncccc3C#N)CC2)CC[N@@H+]1C ZINC000525852782 562257349 /nfs/dbraw/zinc/25/73/49/562257349.db2.gz CJQMHLVUVFWMDQ-VNCIIQTRSA-N 1 0 371.485 2.425 20 30 FEEDRO C[NH+](C)[C@@H]1CCCN(C(=O)NC2CCC(Oc3ncccc3C#N)CC2)C1 ZINC000525861758 562257694 /nfs/dbraw/zinc/25/76/94/562257694.db2.gz NIYZLCBUSOAKME-LXPRWKDFSA-N 1 0 371.485 2.379 20 30 FEEDRO C=C[C@@H](CC(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1)c1ccccc1 ZINC000412466642 559037543 /nfs/dbraw/zinc/03/75/43/559037543.db2.gz SFNZHQWEQXJFES-IBGZPJMESA-N 1 0 371.525 2.259 20 30 FEEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1cnnn1CC ZINC000412984943 559069086 /nfs/dbraw/zinc/06/90/86/559069086.db2.gz DGODIQGTWAJHNP-UHFFFAOYSA-N 1 0 361.519 2.396 20 30 FEEDRO C[C@@H](CC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)c1cnn(C)c1 ZINC000413180804 559085963 /nfs/dbraw/zinc/08/59/63/559085963.db2.gz PQRKIPKFSNAFAF-INIZCTEOSA-N 1 0 353.470 2.376 20 30 FEEDRO C[C@@H]1CN(c2cc(C(F)(F)F)cnc2C#N)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000413217143 559089266 /nfs/dbraw/zinc/08/92/66/559089266.db2.gz XQJYCUKJRREUTA-CJNGLKHVSA-N 1 0 367.419 2.434 20 30 FEEDRO CC(C)N(CCC#N)C(=O)C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000526112050 562267421 /nfs/dbraw/zinc/26/74/21/562267421.db2.gz BESWIRFNWQMOSU-UHFFFAOYSA-N 1 0 374.510 2.325 20 30 FEEDRO N#Cc1ccccc1COc1cccc(C[N@@H+]2CC[C@@H](O)[C@@H](CO)C2)c1 ZINC000414551521 559171116 /nfs/dbraw/zinc/17/11/16/559171116.db2.gz BNIMPCQPZNETME-TZIWHRDSSA-N 1 0 352.434 2.312 20 30 FEEDRO C[C@@H]1C[NH2+]CCN1C(=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 ZINC000415343665 559225740 /nfs/dbraw/zinc/22/57/40/559225740.db2.gz UBTNYTQDOUGWKT-CQSZACIVSA-N 1 0 364.405 2.109 20 30 FEEDRO CC(C)[C@@H]1CCc2c(C#N)c(NC(=O)C(=O)N3CC[C@@H](C[NH3+])C3)sc2C1 ZINC000415355875 559227010 /nfs/dbraw/zinc/22/70/10/559227010.db2.gz PNKTZHOQHSBTRC-QWHCGFSZSA-N 1 0 374.510 2.126 20 30 FEEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000415382373 559229527 /nfs/dbraw/zinc/22/95/27/559229527.db2.gz AHZFRAHWLQXLNJ-MRXNPFEDSA-N 1 0 366.421 2.100 20 30 FEEDRO C[C@@H]([NH3+])C1CCN(C(=O)C(=O)Nc2ccccc2SC[C@@H](C)C#N)CC1 ZINC000415394747 559230898 /nfs/dbraw/zinc/23/08/98/559230898.db2.gz LXHMQGGGSWGEMT-UONOGXRCSA-N 1 0 374.510 2.463 20 30 FEEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000415427108 559235345 /nfs/dbraw/zinc/23/53/45/559235345.db2.gz BIUKFNNWMHCBKG-QLFBSQMISA-N 1 0 374.510 2.463 20 30 FEEDRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C1 ZINC000415429278 559235698 /nfs/dbraw/zinc/23/56/98/559235698.db2.gz DNPFJALBYRNLKK-CMPLNLGQSA-N 1 0 368.359 2.101 20 30 FEEDRO C[C@H]1CN(C(=O)C(=O)Nc2ccccc2C#Cc2ccccc2)CC[C@@H]1[NH3+] ZINC000415435793 559236545 /nfs/dbraw/zinc/23/65/45/559236545.db2.gz JRSNSUAZPHYVAN-LPHOPBHVSA-N 1 0 361.445 2.221 20 30 FEEDRO N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)N2CCC[C@H](CC[NH3+])C2)n1 ZINC000415440513 559237175 /nfs/dbraw/zinc/23/71/75/559237175.db2.gz DTDAEMYEJMBWDQ-CYBMUJFWSA-N 1 0 372.860 2.990 20 30 FEEDRO CC1(C)CN(C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)CC[NH2+]1 ZINC000415439663 559237281 /nfs/dbraw/zinc/23/72/81/559237281.db2.gz DAWZBOULMKZVMP-UHFFFAOYSA-N 1 0 358.833 2.613 20 30 FEEDRO N#Cc1c(F)cccc1-n1ccc(NC(=O)NCC2([NH3+])CCCCCC2)n1 ZINC000415452007 559238614 /nfs/dbraw/zinc/23/86/14/559238614.db2.gz XTQMSIHELGLZEX-UHFFFAOYSA-N 1 0 370.432 3.056 20 30 FEEDRO CC1(NC(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)CC[NH2+]CC1 ZINC000415461820 559239654 /nfs/dbraw/zinc/23/96/54/559239654.db2.gz OPTUZBUEAJXZEN-UHFFFAOYSA-N 1 0 358.833 2.661 20 30 FEEDRO N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)N[C@H]2CC[C@@H](C[NH3+])C2)n1 ZINC000415461727 559239704 /nfs/dbraw/zinc/23/97/04/559239704.db2.gz OJQMHCOWTDMPMJ-RISCZKNCSA-N 1 0 358.833 2.646 20 30 FEEDRO CCCN(C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1)C1CC[NH2+]CC1 ZINC000415467504 559240329 /nfs/dbraw/zinc/24/03/29/559240329.db2.gz VLRMEQUAIJOVTE-UHFFFAOYSA-N 1 0 370.432 2.879 20 30 FEEDRO CC[NH2+]CC1CCN(C(=O)C(=O)Nc2cccc(OCCCC#N)c2)CC1 ZINC000415482622 559242089 /nfs/dbraw/zinc/24/20/89/559242089.db2.gz XIGXONSDLQQKCF-UHFFFAOYSA-N 1 0 372.469 2.156 20 30 FEEDRO CCCN(C(=O)C(=O)Nc1cc(C#N)ccc1OC(C)C)C1CC[NH2+]CC1 ZINC000415503374 559244421 /nfs/dbraw/zinc/24/44/21/559244421.db2.gz DRGYLPWHXUONPY-UHFFFAOYSA-N 1 0 372.469 2.275 20 30 FEEDRO CC(C)[C@H]1CCc2c(C#N)c(NC(=O)C(=O)NCC3([NH3+])CCC3)sc2C1 ZINC000415552306 559248893 /nfs/dbraw/zinc/24/88/93/559248893.db2.gz AITXNJGZWGCLEE-LBPRGKRZSA-N 1 0 374.510 2.317 20 30 FEEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000415566739 559250479 /nfs/dbraw/zinc/25/04/79/559250479.db2.gz JKGCUWWTPKORBA-HZSPNIEDSA-N 1 0 360.483 2.215 20 30 FEEDRO C=C(C)COc1cccc(NC(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000415577658 559251811 /nfs/dbraw/zinc/25/18/11/559251811.db2.gz HSCLISPVKLXUMH-QGTPRVQTSA-N 1 0 357.454 2.166 20 30 FEEDRO C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])cc1 ZINC000415605904 559254614 /nfs/dbraw/zinc/25/46/14/559254614.db2.gz YDLAXJLYQWQTFM-DVOMOZLQSA-N 1 0 364.471 2.106 20 30 FEEDRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000415738941 559266281 /nfs/dbraw/zinc/26/62/81/559266281.db2.gz HOXTYCDBTVYBAT-UGSOOPFHSA-N 1 0 364.405 2.237 20 30 FEEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000415822669 559275197 /nfs/dbraw/zinc/27/51/97/559275197.db2.gz MYNXFXZIPKUENL-ZDUSSCGKSA-N 1 0 360.483 2.087 20 30 FEEDRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)C(=O)Nc2cccc(C#Cc3ccccc3)c2)C1 ZINC000415835855 559276804 /nfs/dbraw/zinc/27/68/04/559276804.db2.gz PEMSUBMFYZRYET-UYAOXDASSA-N 1 0 361.445 2.269 20 30 FEEDRO CCc1ccccc1[C@H]([NH3+])CNC(=O)C(=O)Nc1cccc(C)c1C#N ZINC000415842993 559277538 /nfs/dbraw/zinc/27/75/38/559277538.db2.gz PRWKZYXYBQGDRS-QGZVFWFLSA-N 1 0 350.422 2.184 20 30 FEEDRO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)CCCCOc1cccc(C#N)c1 ZINC000416287857 559302402 /nfs/dbraw/zinc/30/24/02/559302402.db2.gz CJKJGUORVAZELG-DLBZAZTESA-N 1 0 359.470 2.021 20 30 FEEDRO CN(CC[NH+]1CCCC1)S(=O)(=O)c1cc(Br)ccc1C#N ZINC000416382338 559308947 /nfs/dbraw/zinc/30/89/47/559308947.db2.gz GECIOGJIAOCNEP-UHFFFAOYSA-N 1 0 372.288 2.037 20 30 FEEDRO C=C(C)CS(=O)(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1OCC ZINC000416608918 559324904 /nfs/dbraw/zinc/32/49/04/559324904.db2.gz TUDMQKJUVOYYEU-QZTJIDSGSA-N 1 0 352.500 2.019 20 30 FEEDRO Cc1cc(NC(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)c(C#N)cc1N(C)C ZINC000417125738 559349030 /nfs/dbraw/zinc/34/90/30/559349030.db2.gz BXIGUYFQVFONAG-HNNXBMFYSA-N 1 0 373.501 2.242 20 30 FEEDRO Cc1cc(NC(=O)NC2CCN(CC[NH+](C)C)CC2)c(C#N)cc1N(C)C ZINC000417130918 559349189 /nfs/dbraw/zinc/34/91/89/559349189.db2.gz PRUBQTPPCRYJSH-UHFFFAOYSA-N 1 0 372.517 2.080 20 30 FEEDRO C=CCc1cc(CNC(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc(OC)c1OC ZINC000417378388 559360083 /nfs/dbraw/zinc/36/00/83/559360083.db2.gz FEJQQCCSGJUUCB-SJORKVTESA-N 1 0 359.470 2.468 20 30 FEEDRO C[C@H](CCCC[NH3+])NC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000417577936 559367437 /nfs/dbraw/zinc/36/74/37/559367437.db2.gz MYNVBIOAKKIZNP-GDBMZVCRSA-N 1 0 361.465 2.483 20 30 FEEDRO CCC([NH3+])(CC)CNC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000417964787 559384277 /nfs/dbraw/zinc/38/42/77/559384277.db2.gz KDDSIFPLLGHCMH-UHFFFAOYSA-N 1 0 359.474 2.460 20 30 FEEDRO CN(CC(C)(C)C[NH3+])C(=O)NC1CCC(Oc2ncccc2C#N)CC1 ZINC000418046108 559387927 /nfs/dbraw/zinc/38/79/27/559387927.db2.gz GXMKMZSTVCVETK-UHFFFAOYSA-N 1 0 359.474 2.270 20 30 FEEDRO CC(C)C[C@@H](C[NH3+])NC(=O)NC1CCC(Oc2ncccc2C#N)CC1 ZINC000418050832 559388035 /nfs/dbraw/zinc/38/80/35/559388035.db2.gz PXZXWMGBVYJTEA-CGZBRXJRSA-N 1 0 359.474 2.316 20 30 FEEDRO N#C[C@H]1CN(C(=O)N[C@@H](C[NH3+])C2CCCCC2)CCN1Cc1ccccc1 ZINC000418358633 559398927 /nfs/dbraw/zinc/39/89/27/559398927.db2.gz DQXLMTYZPMSGQK-PMACEKPBSA-N 1 0 369.513 2.314 20 30 FEEDRO C=CCN(Cc1ccccc1)C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000418666020 559410444 /nfs/dbraw/zinc/41/04/44/559410444.db2.gz KJKHCXCJUGIMMB-QUCCMNQESA-N 1 0 370.497 2.031 20 30 FEEDRO N#Cc1cccc([C@@H]2CN(C(=O)NC[C@H]3CC[C@H](C[NH3+])CC3)CCO2)c1 ZINC000418668888 559410567 /nfs/dbraw/zinc/41/05/67/559410567.db2.gz OLKCSJKRGRZGNZ-BXWFABGCSA-N 1 0 356.470 2.406 20 30 FEEDRO N#Cc1ccc(N2CCN(C(=O)N[C@H]3CC[C@@H](C[NH3+])C3)CC2)c(Cl)c1 ZINC000418794318 559416373 /nfs/dbraw/zinc/41/63/73/559416373.db2.gz RGVYHZZTQMUNIF-HIFRSBDPSA-N 1 0 361.877 2.171 20 30 FEEDRO COC1(C(F)(F)F)CC[NH+](C[C@H](O)COc2ccc(C#N)cc2)CC1 ZINC000419324488 559436927 /nfs/dbraw/zinc/43/69/27/559436927.db2.gz JLFNPENVBSIINO-AWEZNQCLSA-N 1 0 358.360 2.341 20 30 FEEDRO CN1CC[N@H+](CCCNC(=O)NCC2(C#N)CCC2)[C@H](c2ccccc2)C1 ZINC000419417601 559441153 /nfs/dbraw/zinc/44/11/53/559441153.db2.gz HWPPCAQSFARGTF-IBGZPJMESA-N 1 0 369.513 2.358 20 30 FEEDRO C=CCC[C@H](NC(=O)C(=O)N[C@@H]1CC[NH2+]C1)c1ccc(C(F)(F)F)cc1 ZINC000419474907 559444362 /nfs/dbraw/zinc/44/43/62/559444362.db2.gz NNFPMBPKXGQCPI-CABCVRRESA-N 1 0 369.387 2.307 20 30 FEEDRO N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)NC[C@@H]1CCC[N@H+]1CCCO ZINC000419604952 559449614 /nfs/dbraw/zinc/44/96/14/559449614.db2.gz CZJHYIPUSGZYEV-HKUYNNGSSA-N 1 0 356.470 2.082 20 30 FEEDRO C=CCC[C@H](NC(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@H]1C)c1ccccc1 ZINC000419663878 559452574 /nfs/dbraw/zinc/45/25/74/559452574.db2.gz KYNZKGHKCZQCDO-XIRDDKMYSA-N 1 0 359.470 2.039 20 30 FEEDRO C=C(C)[C@H](NC(=O)C(=O)N[C@H](C[NH3+])CC(C)C)c1ccc(F)c(F)c1 ZINC000419678994 559453563 /nfs/dbraw/zinc/45/35/63/559453563.db2.gz OXCPNLSJNAOJQP-BBRMVZONSA-N 1 0 353.413 2.188 20 30 FEEDRO CN1CC[NH2+]C[C@@H]1CNc1c(C#N)cnc2c(Br)cccc21 ZINC000420285062 559478753 /nfs/dbraw/zinc/47/87/53/559478753.db2.gz ZECULKQOAQAJSP-GFCCVEGCSA-N 1 0 360.259 2.184 20 30 FEEDRO CCCC[C@H](C[NH3+])NS(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000420464509 559488952 /nfs/dbraw/zinc/48/89/52/559488952.db2.gz USASDHFVYNBCBB-LLVKDONJSA-N 1 0 360.277 2.117 20 30 FEEDRO N#Cc1ccc(CNC(=O)NC2CC[NH+](Cc3ccccn3)CC2)s1 ZINC000420804041 559505326 /nfs/dbraw/zinc/50/53/26/559505326.db2.gz QRNRMCFLIQFEOV-UHFFFAOYSA-N 1 0 355.467 2.479 20 30 FEEDRO N#Cc1ccc(C[NH2+][C@H](Cc2ccccc2)C(=O)N2CCOCC2)cc1F ZINC000421346539 559539851 /nfs/dbraw/zinc/53/98/51/559539851.db2.gz TVZGMUCGTSMQLG-HXUWFJFHSA-N 1 0 367.424 2.257 20 30 FEEDRO C[N@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CC(C)(C)CCC#N ZINC000421392782 559541051 /nfs/dbraw/zinc/54/10/51/559541051.db2.gz VLPCMPBTLBUFAX-UHFFFAOYSA-N 1 0 368.459 2.135 20 30 FEEDRO C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)NC1CCC([NH+](C)C)CC1 ZINC000422538986 559593630 /nfs/dbraw/zinc/59/36/30/559593630.db2.gz HIZKZYJIPNYGGV-JLAWEPINSA-N 1 0 357.498 2.279 20 30 FEEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000423022920 559615390 /nfs/dbraw/zinc/61/53/90/559615390.db2.gz IQOXKWIFGSFIPE-NEPJUHHUSA-N 1 0 355.891 2.112 20 30 FEEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N1CCC(C[NH2+]CC)CC1 ZINC000423169355 559621896 /nfs/dbraw/zinc/62/18/96/559621896.db2.gz JITWKUVLWHXBRE-UHFFFAOYSA-N 1 0 373.497 2.058 20 30 FEEDRO N#CCCC[C@@H]([NH3+])C(=O)N1CCCC[C@H]1CNC(=O)Nc1ccccc1 ZINC000424099654 559654728 /nfs/dbraw/zinc/65/47/28/559654728.db2.gz VPDDFYGNTAMABS-DLBZAZTESA-N 1 0 357.458 2.210 20 30 FEEDRO C=C(C)Cn1c([C@H]2CCCO2)nnc1N1CC[NH+](C(C)(C)COC)CC1 ZINC000424223748 559658529 /nfs/dbraw/zinc/65/85/29/559658529.db2.gz QPEMHAPLORLFQO-MRXNPFEDSA-N 1 0 363.506 2.253 20 30 FEEDRO C=CCCn1cc(C(=O)NC[C@@H](c2cccc(OC)c2)[NH+]2CCCC2)nn1 ZINC000424541744 559668886 /nfs/dbraw/zinc/66/88/86/559668886.db2.gz KNFOMZSTPBKLTH-IBGZPJMESA-N 1 0 369.469 2.430 20 30 FEEDRO C=CCCn1cc(C(=O)NC[C@H](c2cccc(OC)c2)[NH+]2CCCC2)nn1 ZINC000424541746 559668930 /nfs/dbraw/zinc/66/89/30/559668930.db2.gz KNFOMZSTPBKLTH-LJQANCHMSA-N 1 0 369.469 2.430 20 30 FEEDRO C=CCCn1cc(C(=O)NC[C@@H](c2ccccc2OC)[NH+]2CCCC2)nn1 ZINC000424548449 559669004 /nfs/dbraw/zinc/66/90/04/559669004.db2.gz UKBXJTHYHXZASL-SFHVURJKSA-N 1 0 369.469 2.430 20 30 FEEDRO COCC[N@H+](C)CCOc1cccc(CNc2cc(C)ncc2C#N)c1 ZINC000425224759 559692280 /nfs/dbraw/zinc/69/22/80/559692280.db2.gz LGJIXSBJUINDDR-UHFFFAOYSA-N 1 0 354.454 2.253 20 30 FEEDRO CN1CC[N@H+](CCCNC(=O)N[C@@H]2CC[C@H](C#N)C2)[C@@H](c2ccccc2)C1 ZINC000425409187 559700601 /nfs/dbraw/zinc/70/06/01/559700601.db2.gz ADFZLFBJZYRJOF-DFQSSKMNSA-N 1 0 369.513 2.357 20 30 FEEDRO C=CCn1cc(CNC(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)nn1 ZINC000425435621 559702093 /nfs/dbraw/zinc/70/20/93/559702093.db2.gz TXWAXUKSEBGATD-OAHLLOKOSA-N 1 0 374.514 2.237 20 30 FEEDRO CC(C)[C@@](C)(C#N)NC(=O)CN1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000425500124 559705932 /nfs/dbraw/zinc/70/59/32/559705932.db2.gz LEYIDSWJPJCARK-QKNQBKEWSA-N 1 0 354.498 2.247 20 30 FEEDRO C=CCc1ccccc1OC[C@H](O)CN1CC[NH+](C(C)(C)COC)CC1 ZINC000425515249 559707180 /nfs/dbraw/zinc/70/71/80/559707180.db2.gz QZEWMSWKBWLVPI-LJQANCHMSA-N 1 0 362.514 2.197 20 30 FEEDRO C[C@H](c1cccc(C#N)c1)N(C)CC(=O)NCCCN1CCCCCC1=O ZINC000425541813 559708736 /nfs/dbraw/zinc/70/87/36/559708736.db2.gz XHSUXPDLQOBMDF-QGZVFWFLSA-N 1 0 370.497 2.460 20 30 FEEDRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN(C)[C@H](C)c2cccc(C#N)c2)C1 ZINC000425547031 559708950 /nfs/dbraw/zinc/70/89/50/559708950.db2.gz WWNUUXFAOFNTEW-YLJYHZDGSA-N 1 0 372.513 2.024 20 30 FEEDRO C=CCn1cc(CNC(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)nn1 ZINC000425640938 559712578 /nfs/dbraw/zinc/71/25/78/559712578.db2.gz BUAGDISCACGMDJ-MRXNPFEDSA-N 1 0 358.446 2.084 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(Cl)cc2COC)CC1 ZINC000425748229 559717444 /nfs/dbraw/zinc/71/74/44/559717444.db2.gz VTJUEOVRYZWNKM-UHFFFAOYSA-N 1 0 365.861 2.192 20 30 FEEDRO COC(=O)C1CCC([NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000426044028 559728231 /nfs/dbraw/zinc/72/82/31/559728231.db2.gz QUZVXFRSFMVPBT-HTWSVDAQSA-N 1 0 355.438 2.375 20 30 FEEDRO C[NH+]1CCN(c2ccc(NC(=O)c3ncc(C#N)cc3Cl)nc2)CC1 ZINC000427899547 559764907 /nfs/dbraw/zinc/76/49/07/559764907.db2.gz VWBKDVLQNJWSPS-UHFFFAOYSA-N 1 0 356.817 2.006 20 30 FEEDRO COC(=O)c1ccccc1CC[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000428790215 559783619 /nfs/dbraw/zinc/78/36/19/559783619.db2.gz QNDDMGDZRHHGNS-KRWDZBQOSA-N 1 0 351.406 2.436 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000432779416 559864554 /nfs/dbraw/zinc/86/45/54/559864554.db2.gz JXKRCDQDAGGBDA-SFHVURJKSA-N 1 0 356.470 2.124 20 30 FEEDRO C[C@@H]1CCN(C)CCN1S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000433014124 559869981 /nfs/dbraw/zinc/86/99/81/559869981.db2.gz QXNGAORYIYJABP-LLVKDONJSA-N 1 0 372.288 2.035 20 30 FEEDRO CSc1nc(C2CC2)cc(C(=O)NC[C@H](O)C[NH+]2CCCCC2)c1C#N ZINC000434454486 559900727 /nfs/dbraw/zinc/90/07/27/559900727.db2.gz ATPYROBFHJCISP-AWEZNQCLSA-N 1 0 374.510 2.129 20 30 FEEDRO N#CCCn1cc(C[N@H+]2CCC[C@@H](CCC(N)=O)C2)c(-c2ccncc2)n1 ZINC000435135834 559916843 /nfs/dbraw/zinc/91/68/43/559916843.db2.gz VJOKZTQUPIVVTL-INIZCTEOSA-N 1 0 366.469 2.336 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CC[C@@H](OCC[NH+](CC)CC)C1 ZINC000438061929 559973633 /nfs/dbraw/zinc/97/36/33/559973633.db2.gz VLRYMLAJJWFXSL-KSZLIROESA-N 1 0 353.507 2.110 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CC[N@H+](CCOC)[C@@H](CCC)C1 ZINC000438442200 559979198 /nfs/dbraw/zinc/97/91/98/559979198.db2.gz JDTPDKMZXJLMQA-BZSNNMDCSA-N 1 0 353.507 2.110 20 30 FEEDRO Cc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H]1CCCC[N@H+]1CC(C)C ZINC000439419121 559993506 /nfs/dbraw/zinc/99/35/06/559993506.db2.gz FDVDHLCMNCNLJH-KRWDZBQOSA-N 1 0 356.470 2.432 20 30 FEEDRO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1ccc(C#N)cc1F ZINC000439433851 559993746 /nfs/dbraw/zinc/99/37/46/559993746.db2.gz BKIGEERMZRAUHG-HNNXBMFYSA-N 1 0 360.433 2.263 20 30 FEEDRO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCC[C@@](COC)(C(=O)OCC)C1 ZINC000439479464 559995023 /nfs/dbraw/zinc/99/50/23/559995023.db2.gz SKDZLXDUEBXRPX-QFBILLFUSA-N 1 0 354.491 2.091 20 30 FEEDRO C=CCc1ccccc1OC[C@H](O)C[NH2+][C@@]1(CO)CCOc2ccccc21 ZINC000440481798 560011978 /nfs/dbraw/zinc/01/19/78/560011978.db2.gz BYSYUFAPYKILGH-XMSQKQJNSA-N 1 0 369.461 2.415 20 30 FEEDRO CC(C)(C)OC(=O)CN[C@@]1(C)CC[N@H+](CCOc2ccc(C#N)cc2)C1 ZINC000440489908 560012064 /nfs/dbraw/zinc/01/20/64/560012064.db2.gz GIBUIRZFJJVGSI-FQEVSTJZSA-N 1 0 359.470 2.333 20 30 FEEDRO C[NH+](C)CCc1ccc(CNS(=O)(=O)c2ccc(C#N)cc2F)cc1 ZINC000527504800 562290459 /nfs/dbraw/zinc/29/04/59/562290459.db2.gz TXHFTLZXQYRDOL-UHFFFAOYSA-N 1 0 361.442 2.280 20 30 FEEDRO CCOc1ccc(C#N)cc1NC(=O)C(=O)N(C)[C@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000443368520 560082371 /nfs/dbraw/zinc/08/23/71/560082371.db2.gz JMSWYZXUEGSDBK-ZBFHGGJFSA-N 1 0 372.469 2.227 20 30 FEEDRO Cc1cc(S(=O)(=O)NCc2cccc(OCC[NH+](C)C)c2)ccc1C#N ZINC000443942634 560096784 /nfs/dbraw/zinc/09/67/84/560096784.db2.gz DHIGIEIWIYZTBV-UHFFFAOYSA-N 1 0 373.478 2.286 20 30 FEEDRO Cc1ccc(C[NH2+]Cc2cnc3ccc(C#N)cn23)cc1S(C)(=O)=O ZINC000443987823 560098527 /nfs/dbraw/zinc/09/85/27/560098527.db2.gz KLZSVCXTLGOTTF-UHFFFAOYSA-N 1 0 354.435 2.208 20 30 FEEDRO C=CC[C@@H]1N(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CCCC1(C)C ZINC000445153251 560129960 /nfs/dbraw/zinc/12/99/60/560129960.db2.gz SOAQNYLZEILHEF-SJORKVTESA-N 1 0 364.534 2.350 20 30 FEEDRO C[C@H]1[C@@H](NC(=O)NC2CCC(Oc3ncccc3C#N)CC2)CCC[N@@H+]1C ZINC000446629704 560148840 /nfs/dbraw/zinc/14/88/40/560148840.db2.gz VXXUCUGMCMINHH-KUQKPQIMSA-N 1 0 371.485 2.425 20 30 FEEDRO C=CCOc1cccc(NC(=O)C(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)c1 ZINC000448323471 560184528 /nfs/dbraw/zinc/18/45/28/560184528.db2.gz XVOWJPUIQXZCNJ-QGZVFWFLSA-N 1 0 359.470 2.427 20 30 FEEDRO N#Cc1ccc(N2C[C@H](C(=O)NCCC[NH+]3CCCC3)CC2=O)cc1Cl ZINC000448599372 560192134 /nfs/dbraw/zinc/19/21/34/560192134.db2.gz YYWKPECXDPPLQE-OAHLLOKOSA-N 1 0 374.872 2.167 20 30 FEEDRO CC(C)[NH+]1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1 ZINC000448669904 560193425 /nfs/dbraw/zinc/19/34/25/560193425.db2.gz IGAONOFRPADSAD-OAHLLOKOSA-N 1 0 374.872 2.117 20 30 FEEDRO CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C1 ZINC000448763074 560198166 /nfs/dbraw/zinc/19/81/66/560198166.db2.gz MVKMQBGCTQILGQ-HIFRSBDPSA-N 1 0 374.872 2.023 20 30 FEEDRO C[C@@H]1CC[N@H+](C)CCN1C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 ZINC000448982115 560210156 /nfs/dbraw/zinc/21/01/56/560210156.db2.gz WIUVMTRLOOCMMK-UKRRQHHQSA-N 1 0 374.872 2.117 20 30 FEEDRO C[C@H](CC[NH+](C)C)NC(=O)COc1ccc(C#N)c(Br)c1 ZINC000449892653 560244465 /nfs/dbraw/zinc/24/44/65/560244465.db2.gz ZSPDPORDBJEBJS-LLVKDONJSA-N 1 0 354.248 2.156 20 30 FEEDRO C[C@@H]1CN(C(=O)COc2ccc(C#N)c(Br)c2)C[C@@H]1[NH+](C)C ZINC000449985665 560247118 /nfs/dbraw/zinc/24/71/18/560247118.db2.gz MPJULFATWHRTJJ-ABAIWWIYSA-N 1 0 366.259 2.108 20 30 FEEDRO C[C@H]1CN([C@@H](CNC(=O)c2ccc(C#N)n2C)c2cccs2)CCO1 ZINC000450047877 560249176 /nfs/dbraw/zinc/24/91/76/560249176.db2.gz WFIICELPYCKVHB-BBRMVZONSA-N 1 0 358.467 2.150 20 30 FEEDRO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)[C@]2(C#N)C[C@H]2C)cc1OC ZINC000450278206 560256844 /nfs/dbraw/zinc/25/68/44/560256844.db2.gz UDKBZMIPAAZHED-VLIAUNLRSA-N 1 0 372.469 2.255 20 30 FEEDRO Cc1[nH]c(C#N)cc1C(=O)NCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000450519286 560264931 /nfs/dbraw/zinc/26/49/31/560264931.db2.gz MBXCITCUHCYVAU-SFHVURJKSA-N 1 0 352.438 2.082 20 30 FEEDRO C[NH+](C)C1(CNC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CCC1 ZINC000451011941 560282410 /nfs/dbraw/zinc/28/24/10/560282410.db2.gz YJCVOGGYTHXCHT-CQSZACIVSA-N 1 0 374.872 2.165 20 30 FEEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH2+][C@@H]1CCOC1(C)C ZINC000451236317 560294887 /nfs/dbraw/zinc/29/48/87/560294887.db2.gz NYYRLRMXGIVCRE-MRXNPFEDSA-N 1 0 362.474 2.109 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]CC(=O)NCC(=O)Nc1cccc(Cl)c1C ZINC000451669861 560321091 /nfs/dbraw/zinc/32/10/91/560321091.db2.gz BENCFBLKPDOXIK-CVEARBPZSA-N 1 0 365.861 2.026 20 30 FEEDRO COC(=O)[C@@H]1C[N@@H+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)C[C@H]1c1ccccc1 ZINC000452000820 560344274 /nfs/dbraw/zinc/34/42/74/560344274.db2.gz ZTRWFCKVDWWGOY-LNNXQNCSSA-N 1 0 371.481 2.318 20 30 FEEDRO C=C(C)Cn1c(-c2nnn(C)c2C)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC000453458741 560387277 /nfs/dbraw/zinc/38/72/77/560387277.db2.gz KSHIAHNNYWFFIN-INIZCTEOSA-N 1 0 372.521 2.126 20 30 FEEDRO C=C(C)Cn1c(-c2nnn(C)c2C)nnc1N(C)C1CC[NH+](CCC)CC1 ZINC000453464616 560387387 /nfs/dbraw/zinc/38/73/87/560387387.db2.gz ROFYQEILEARDHJ-UHFFFAOYSA-N 1 0 372.521 2.269 20 30 FEEDRO Cc1cc(C#N)cc(NC(=O)C(=O)N[C@H](C[NH+](C)C)c2ccccc2)c1 ZINC000453593975 560390285 /nfs/dbraw/zinc/39/02/85/560390285.db2.gz UCVOVYBQVJNSSY-GOSISDBHSA-N 1 0 350.422 2.224 20 30 FEEDRO N#CCc1ccc(NC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)c(Cl)c1 ZINC000453604017 560390639 /nfs/dbraw/zinc/39/06/39/560390639.db2.gz BXRMFJGHCVDOFW-OAHLLOKOSA-N 1 0 374.872 2.431 20 30 FEEDRO CC1CCC([NH+]2CCN(C(=O)C(=O)Nc3cccc(CC#N)c3)CC2)CC1 ZINC000453650679 560393402 /nfs/dbraw/zinc/39/34/02/560393402.db2.gz XHWJOFRCTLFXBW-UHFFFAOYSA-N 1 0 368.481 2.414 20 30 FEEDRO N#CCc1cccc(NC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000453658817 560394197 /nfs/dbraw/zinc/39/41/97/560394197.db2.gz XTSFGTZWTICSTA-SFHVURJKSA-N 1 0 354.454 2.168 20 30 FEEDRO N#CCc1cccc(NC(=O)C(=O)NC2CC[NH+](C3CCCC3)CC2)c1 ZINC000453687746 560396765 /nfs/dbraw/zinc/39/67/65/560396765.db2.gz FWEVOHLFWOSHQB-UHFFFAOYSA-N 1 0 354.454 2.214 20 30 FEEDRO C[NH+](C)[C@H]1CCc2cc(NC(=O)C(=O)NCC#Cc3ccccc3)ccc21 ZINC000453701637 560397868 /nfs/dbraw/zinc/39/78/68/560397868.db2.gz UFPOILFYJADIQO-FQEVSTJZSA-N 1 0 361.445 2.342 20 30 FEEDRO Cc1c(C#N)cccc1NC(=O)C(=O)N[C@@H](CC(C)C)C[NH+]1CCCC1 ZINC000453806504 560405239 /nfs/dbraw/zinc/40/52/39/560405239.db2.gz NOJDSPJXQZKQSI-KRWDZBQOSA-N 1 0 356.470 2.432 20 30 FEEDRO C=CCC1(CNC(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CCCC1 ZINC000454645363 560452804 /nfs/dbraw/zinc/45/28/04/560452804.db2.gz IBYMAMHFKMYHPU-QGZVFWFLSA-N 1 0 364.534 2.365 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1NC(=O)N1CCC(CCC[N@@H+](C)CCOC)CC1 ZINC000455407061 560481042 /nfs/dbraw/zinc/48/10/42/560481042.db2.gz LWMDGCBUXLZPBP-MSOLQXFVSA-N 1 0 353.507 2.110 20 30 FEEDRO C[C@@H]1C[N@@H+](CCCNC(=O)Nc2cnc(C#N)c(Cl)c2)C[C@H](C)O1 ZINC000455751924 560493797 /nfs/dbraw/zinc/49/37/97/560493797.db2.gz IKAQWIQBHBOMFO-TXEJJXNPSA-N 1 0 351.838 2.227 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1NC(=O)CC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000456253891 560513506 /nfs/dbraw/zinc/51/35/06/560513506.db2.gz AEMRFRPFMOISBO-UXHICEINSA-N 1 0 357.498 2.357 20 30 FEEDRO CC[NH+]1CCN(CC(C)(C)NC(=O)[C@@H](C#N)CCc2ccccc2)CC1 ZINC000456886571 560535679 /nfs/dbraw/zinc/53/56/79/560535679.db2.gz UMMNZPIDTOBEHS-LJQANCHMSA-N 1 0 356.514 2.291 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H](CO)c2ccc(OC)cc2)CC1 ZINC000458329569 560615246 /nfs/dbraw/zinc/61/52/46/560615246.db2.gz YPKJIQDVYOOXGI-KRWDZBQOSA-N 1 0 361.486 2.111 20 30 FEEDRO C=CC(C)(C)CNC(=O)N1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000458985667 560660586 /nfs/dbraw/zinc/66/05/86/560660586.db2.gz INLQPBXTROWLFD-UHFFFAOYSA-N 1 0 366.550 2.324 20 30 FEEDRO N#Cc1cccc([N+](=O)[O-])c1CN1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000459343074 560681327 /nfs/dbraw/zinc/68/13/27/560681327.db2.gz HKQPTKPSWYNOPT-AWEZNQCLSA-N 1 0 352.398 2.384 20 30 FEEDRO C=CCN(CC=C)C(=O)C(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000459817787 560710608 /nfs/dbraw/zinc/71/06/08/560710608.db2.gz NHTBEYFITGNADJ-QFIPXVFZSA-N 1 0 367.493 2.312 20 30 FEEDRO C=CCN(CC=C)C(=O)C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000459818682 560710613 /nfs/dbraw/zinc/71/06/13/560710613.db2.gz RBMTVKREQAICFM-WOJBJXKFSA-N 1 0 367.493 2.168 20 30 FEEDRO CCN(C(=O)C(=O)N(C)C[C@H](C)C#N)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000460054002 560731942 /nfs/dbraw/zinc/73/19/42/560731942.db2.gz MXAUTOMCQABTHN-ZHALLVOQSA-N 1 0 370.497 2.288 20 30 FEEDRO C=C(C)Cn1c(C(=O)NC(C)C)nnc1N(C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000460953770 560757055 /nfs/dbraw/zinc/75/70/55/560757055.db2.gz ULLGHPMSLSEOGC-HZPDHXFCSA-N 1 0 362.522 2.159 20 30 FEEDRO CC[N@H+](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)[C@H]1CCOC1 ZINC000463440899 560814774 /nfs/dbraw/zinc/81/47/74/560814774.db2.gz GYNPXQIYVRJKBP-INIZCTEOSA-N 1 0 354.372 2.284 20 30 FEEDRO COc1cc(C#N)ccc1OCC(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000464333817 560838985 /nfs/dbraw/zinc/83/89/85/560838985.db2.gz KPZLNOFNOXRBQA-KRWDZBQOSA-N 1 0 357.454 2.326 20 30 FEEDRO Cc1cc(C#N)ccc1S(=O)(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000466741218 560894136 /nfs/dbraw/zinc/89/41/36/560894136.db2.gz OCEUWAFTLMPPGF-UHFFFAOYSA-N 1 0 357.479 2.449 20 30 FEEDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CCN(c2cccc(F)c2C#N)CC1 ZINC000466761541 560894805 /nfs/dbraw/zinc/89/48/05/560894805.db2.gz DFTFNROLNIUTIJ-KDOFPFPSSA-N 1 0 371.460 2.012 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cnn(-c2cccnc2)c1 ZINC000468843208 560940260 /nfs/dbraw/zinc/94/02/60/560940260.db2.gz FGYRLFAGWUYLHE-UHFFFAOYSA-N 1 0 374.448 2.343 20 30 FEEDRO CC[NH+](CC)CCOCCNC(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000469240899 560950743 /nfs/dbraw/zinc/95/07/43/560950743.db2.gz XBOPKLFUDUCFKV-UHFFFAOYSA-N 1 0 356.426 2.301 20 30 FEEDRO N#Cc1ccccc1-c1ccc(C[N@H+]2CCC[C@H](S(N)(=O)=O)C2)cc1 ZINC000471149111 560999285 /nfs/dbraw/zinc/99/92/85/560999285.db2.gz YTVLWTGFHBIQLA-SFHVURJKSA-N 1 0 355.463 2.478 20 30 FEEDRO O=C(Nc1cccc(C#Cc2ccccc2)c1)C(=O)N1CC[NH+]2CCC1CC2 ZINC000471230569 561001015 /nfs/dbraw/zinc/00/10/15/561001015.db2.gz SZHJKXUEXRWPDX-UHFFFAOYSA-N 1 0 373.456 2.332 20 30 FEEDRO CCC[NH+](CCC)CCCC(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 ZINC000473004851 561040109 /nfs/dbraw/zinc/04/01/09/561040109.db2.gz SBGWYTRJZFYSFT-UHFFFAOYSA-N 1 0 374.533 2.151 20 30 FEEDRO CCN(CCC[NH+]1CCCC1)S(=O)(=O)Cc1cc(C#N)ccc1F ZINC000473955574 561061912 /nfs/dbraw/zinc/06/19/12/561061912.db2.gz GKDWJNIELSLGCM-UHFFFAOYSA-N 1 0 353.463 2.335 20 30 FEEDRO N#Cc1ccc(OC[C@H](O)C[N@H+]2CCC[C@@]2(CO)Cc2ccccc2)cc1 ZINC000475679216 561102190 /nfs/dbraw/zinc/10/21/90/561102190.db2.gz LEVLMZFUAWOFPR-IRLDBZIGSA-N 1 0 366.461 2.368 20 30 FEEDRO N#Cc1ccc(CC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)cn1 ZINC000528055842 562312740 /nfs/dbraw/zinc/31/27/40/562312740.db2.gz IYDCVSWJRVBPSR-UHFFFAOYSA-N 1 0 352.413 2.416 20 30 FEEDRO O=C1c2ccccc2C(=O)N1CC#CC[N@@H+]1CC[C@H](Cc2ccncc2)C1 ZINC000528442915 562329500 /nfs/dbraw/zinc/32/95/00/562329500.db2.gz NAAKFICJEOZYPJ-GOSISDBHSA-N 1 0 359.429 2.246 20 30 FEEDRO N#Cc1cc(F)ccc1S(=O)(=O)NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000528473860 562330985 /nfs/dbraw/zinc/33/09/85/562330985.db2.gz IXUZCVFEEXFMGD-INIZCTEOSA-N 1 0 351.447 2.383 20 30 FEEDRO COc1ccc(CN2CC[C@H]2CNS(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000528504980 562332979 /nfs/dbraw/zinc/33/29/79/562332979.db2.gz WXXGOTAHOJWNJJ-KRWDZBQOSA-N 1 0 371.462 2.120 20 30 FEEDRO N#Cc1ncc(NC(=O)N2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cc1Cl ZINC000528695657 562342573 /nfs/dbraw/zinc/34/25/73/562342573.db2.gz SQYZVXOLYDYTOE-CQSZACIVSA-N 1 0 363.849 2.229 20 30 FEEDRO CC1([NH+]2CCOCC2)CCN(C(=O)C2(c3ccc(C#N)cc3)CC2)CC1 ZINC000529910838 562390881 /nfs/dbraw/zinc/39/08/81/562390881.db2.gz WBRSEJLDLQEMJY-UHFFFAOYSA-N 1 0 353.466 2.303 20 30 FEEDRO COc1ccc2c(c1)[C@@H]([NH2+]C[C@H](O)COc1ccccc1C#N)CCO2 ZINC000530233201 562403183 /nfs/dbraw/zinc/40/31/83/562403183.db2.gz VAEMYRYKNLJCFR-YJBOKZPZSA-N 1 0 354.406 2.420 20 30 FEEDRO N#Cc1ccccc1OC[C@H](O)C[NH2+][C@H]1CCN(C(=O)C2CCCCC2)C1 ZINC000530232857 562403263 /nfs/dbraw/zinc/40/32/63/562403263.db2.gz TYFKNYCNDJIRRS-RBUKOAKNSA-N 1 0 371.481 2.069 20 30 FEEDRO COc1ccccc1N1CC[C@@H]([NH2+]C[C@@H](O)COc2ccccc2C#N)C1 ZINC000530232840 562403336 /nfs/dbraw/zinc/40/33/36/562403336.db2.gz TTWKAZZFGKKYMX-QZTJIDSGSA-N 1 0 367.449 2.175 20 30 FEEDRO C[NH+]1CCN(C[C@H](NC(=O)c2cc(C#N)cs2)c2ccccc2)CC1 ZINC000530731985 562422213 /nfs/dbraw/zinc/42/22/13/562422213.db2.gz MORWWQMGASSURT-KRWDZBQOSA-N 1 0 354.479 2.338 20 30 FEEDRO Cc1[nH]c(=O)c(C(=O)NC2(C#N)CC[NH+](C)CC2)cc1-c1ccccc1 ZINC000531172616 562437029 /nfs/dbraw/zinc/43/70/29/562437029.db2.gz ZFLYMFYPRVHCCO-UHFFFAOYSA-N 1 0 350.422 2.480 20 30 FEEDRO COCC[N@H+](C)CCOc1cccc(CNC(=O)C2(C#N)CC(C)C2)c1 ZINC000531817464 562457614 /nfs/dbraw/zinc/45/76/14/562457614.db2.gz KHPXXOJVPYIKMQ-UHFFFAOYSA-N 1 0 359.470 2.200 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cccc([C@H]3CNC(=O)C3)c2)CC1 ZINC000532936218 562493010 /nfs/dbraw/zinc/49/30/10/562493010.db2.gz UCNJAWNAQDZVEH-MRXNPFEDSA-N 1 0 356.470 2.452 20 30 FEEDRO CC(C)(O)C[N@H+](CC(=O)Nc1cc(Cl)ccc1C#N)C1CCOCC1 ZINC000533345433 562506007 /nfs/dbraw/zinc/50/60/07/562506007.db2.gz QEBYMYZCGNJPHC-UHFFFAOYSA-N 1 0 365.861 2.402 20 30 FEEDRO N#Cc1ccc(C[NH2+][C@@H]2CC(=O)N(CCOc3ccccc3)C2)c(F)c1 ZINC000533446542 562509131 /nfs/dbraw/zinc/50/91/31/562509131.db2.gz NWQNDENNTIVDOL-QGZVFWFLSA-N 1 0 353.397 2.467 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(F)c1 ZINC000533451827 562509420 /nfs/dbraw/zinc/50/94/20/562509420.db2.gz FXVWCZIKYHIUQC-YOEHRIQHSA-N 1 0 363.458 2.335 20 30 FEEDRO N#Cc1cccc(CNC(=O)C[N@H+](Cc2ccccc2)[C@H](CO)C2CC2)c1 ZINC000534355239 562532572 /nfs/dbraw/zinc/53/25/72/562532572.db2.gz PLIBQRMBMFNYRQ-OAQYLSRUSA-N 1 0 363.461 2.448 20 30 FEEDRO CN(C(=O)c1cc(C#N)c[nH]1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000534359261 562532612 /nfs/dbraw/zinc/53/26/12/562532612.db2.gz HCBQSBPDICDUDK-RBUKOAKNSA-N 1 0 357.502 2.296 20 30 FEEDRO C=C(C)[C@H](CC(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1)OCC ZINC000535917160 562570769 /nfs/dbraw/zinc/57/07/69/562570769.db2.gz DFWACUIIPCOXBF-QRVBRYPASA-N 1 0 351.535 2.375 20 30 FEEDRO C[C@@H](CNC(=O)C(=O)Nc1scc(C(C)(C)C)c1C#N)C[NH+](C)C ZINC000556308402 674396175 /nfs/dbraw/zinc/39/61/75/674396175.db2.gz HPUMKKWTLJOVIO-NSHDSACASA-N 1 0 350.488 2.170 20 30 FEEDRO C[NH+]1CCC(n2cc(NC(=O)[C@@H](C#N)Cc3ccc(C#N)cc3)cn2)CC1 ZINC000601778589 567839200 /nfs/dbraw/zinc/83/92/00/567839200.db2.gz NORVCLATIHVDNI-QGZVFWFLSA-N 1 0 362.437 2.342 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)Nc1cc(F)cc(C#N)c1)C(C)C ZINC000602024190 567902932 /nfs/dbraw/zinc/90/29/32/567902932.db2.gz VBXHETNCQWFCNK-GOSISDBHSA-N 1 0 372.444 2.451 20 30 FEEDRO CN(C(=O)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1)[C@H]1CCC[C@@H]1C#N ZINC000602075734 567917088 /nfs/dbraw/zinc/91/70/88/567917088.db2.gz LOIIBWGLOTWHQQ-MJGOQNOKSA-N 1 0 368.481 2.414 20 30 FEEDRO CN(C(=O)C(=O)Nc1ccc(OCCC[NH+](C)C)cc1)[C@@H]1CCC[C@@H]1C#N ZINC000602078571 567918248 /nfs/dbraw/zinc/91/82/48/567918248.db2.gz WYEFKLQAJUCDTL-CRAIPNDOSA-N 1 0 372.469 2.106 20 30 FEEDRO CC(C)[C@@H]1CN(C(=O)C(=O)NCCCCC#N)CCN1Cc1ccccc1 ZINC000602243800 567958969 /nfs/dbraw/zinc/95/89/69/567958969.db2.gz CBXGQNFVJJAICJ-IBGZPJMESA-N 1 0 370.497 2.165 20 30 FEEDRO CC(C)[C@H]1CN(C(=O)C(=O)NCCCCC#N)CCN1Cc1ccccc1 ZINC000602243801 567958977 /nfs/dbraw/zinc/95/89/77/567958977.db2.gz CBXGQNFVJJAICJ-LJQANCHMSA-N 1 0 370.497 2.165 20 30 FEEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@H](O)COc1ccc(F)c(F)c1 ZINC000602538944 567992660 /nfs/dbraw/zinc/99/26/60/567992660.db2.gz FZCCDPVRFUNSSL-KGLIPLIRSA-N 1 0 354.397 2.393 20 30 FEEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccc(CS(C)(=O)=O)cc1 ZINC000602587330 567994467 /nfs/dbraw/zinc/99/44/67/567994467.db2.gz ZORCAWAVYACKHY-OAHLLOKOSA-N 1 0 350.484 2.420 20 30 FEEDRO C[C@H](OCCCNC(=O)CN1C[C@@H](C)N(CC#N)[C@@H](C)C1)c1ccccc1 ZINC000602854408 568001849 /nfs/dbraw/zinc/00/18/49/568001849.db2.gz BTJDFUNUPTZWBG-OTWHNJEPSA-N 1 0 372.513 2.189 20 30 FEEDRO C[C@@H](OCCCNC(=O)CN1C[C@@H](C)N(CC#N)[C@@H](C)C1)c1ccccc1 ZINC000602854341 568001861 /nfs/dbraw/zinc/00/18/61/568001861.db2.gz BTJDFUNUPTZWBG-CEXWTWQISA-N 1 0 372.513 2.189 20 30 FEEDRO C[C@@H](CCC#N)C[NH2+]C[C@@H](Cc1cccc(F)c1)C(=O)N1CCOCC1 ZINC000602640381 568002840 /nfs/dbraw/zinc/00/28/40/568002840.db2.gz QEQJTHDSOBDHJH-FUHWJXTLSA-N 1 0 361.461 2.373 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@](C)(CO)Cc2ccc(F)cc2)CC1 ZINC000636742102 568005445 /nfs/dbraw/zinc/00/54/45/568005445.db2.gz JVTJDLRYKCSXFM-FQEVSTJZSA-N 1 0 363.477 2.459 20 30 FEEDRO Cc1cc(C)c(CCNC(=O)CN2C[C@@H](C)N(CC#N)[C@H](C)C2)c(C)c1 ZINC000602867157 568008340 /nfs/dbraw/zinc/00/83/40/568008340.db2.gz XNPXMNHLEJVYRY-RTBURBONSA-N 1 0 356.514 2.189 20 30 FEEDRO CC(C)[N@H+](C)C[C@@H](C)NS(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000568333164 568025456 /nfs/dbraw/zinc/02/54/56/568025456.db2.gz MXEIDNVLXHJWJI-LLVKDONJSA-N 1 0 374.304 2.328 20 30 FEEDRO N#Cc1ccc(OCC[NH2+]C[C@H](O)COc2cccc3[nH]ccc32)cc1 ZINC000568383941 568035725 /nfs/dbraw/zinc/03/57/25/568035725.db2.gz PHOMORDLXUKKED-INIZCTEOSA-N 1 0 351.406 2.448 20 30 FEEDRO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)n1cc(CNCc2ccccc2)nn1 ZINC000603177133 568068173 /nfs/dbraw/zinc/06/81/73/568068173.db2.gz RFWBAGXCACBIBT-HNAYVOBHSA-N 1 0 354.458 2.183 20 30 FEEDRO N#CCSc1ccccc1NC(=O)Cn1cc(C[C@H]2CCC[NH2+]C2)nn1 ZINC000603178119 568068264 /nfs/dbraw/zinc/06/82/64/568068264.db2.gz QQROKPYCFABMID-CQSZACIVSA-N 1 0 370.482 2.075 20 30 FEEDRO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)n1cc([C@@H]2CCC[NH2+]C2)nn1 ZINC000603194204 568072414 /nfs/dbraw/zinc/07/24/14/568072414.db2.gz GCZIWMQXEADZKN-HUUCEWRRSA-N 1 0 370.432 2.392 20 30 FEEDRO C[NH2+][C@@H](C)c1cn(CC(=O)Nc2ccccc2SC[C@@H](C)C#N)nn1 ZINC000603214775 568076628 /nfs/dbraw/zinc/07/66/28/568076628.db2.gz DJKFEEQVAWWGAM-STQMWFEESA-N 1 0 358.471 2.449 20 30 FEEDRO N#CCCn1cc(C[NH2+][C@@H](CO)CC(F)(F)F)c(-c2ccncc2)n1 ZINC000603428953 568096790 /nfs/dbraw/zinc/09/67/90/568096790.db2.gz ZXMRPOQTMBTUSW-CQSZACIVSA-N 1 0 353.348 2.262 20 30 FEEDRO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1C[C@H]2CN(c3ccccc3)C[C@H]2C1 ZINC000603864366 568161550 /nfs/dbraw/zinc/16/15/50/568161550.db2.gz BKTSHOCYXRZYHN-WIRSXHRWSA-N 1 0 354.498 2.498 20 30 FEEDRO C=CCc1cc(CNC(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)cc(OC)c1OC ZINC000604185441 568222606 /nfs/dbraw/zinc/22/26/06/568222606.db2.gz NGCFTEKQZMXZJJ-MRXNPFEDSA-N 1 0 359.470 2.468 20 30 FEEDRO COC(=O)c1cc(C)nc(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000584711404 568369041 /nfs/dbraw/zinc/36/90/41/568369041.db2.gz RVNMTNBPNYFYTR-UHFFFAOYSA-N 1 0 365.437 2.156 20 30 FEEDRO C=CCN(CC=C)C(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000637185024 568534069 /nfs/dbraw/zinc/53/40/69/568534069.db2.gz DUQZFCZOOSPAJN-IEBWSBKVSA-N 1 0 355.482 2.071 20 30 FEEDRO CS(=O)(=O)[C@H]1CCC[C@H]([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C1 ZINC000556885850 674426226 /nfs/dbraw/zinc/42/62/26/674426226.db2.gz PSIGZJRGYGZCSE-HKUYNNGSSA-N 1 0 361.511 2.472 20 30 FEEDRO C=CC[N@@H+](Cc1ccc(C(=O)NC)cc1)Cc1cccc(-c2nn[nH]n2)c1 ZINC000735419634 598557593 /nfs/dbraw/zinc/55/75/93/598557593.db2.gz YKEWXPVOQHUGCU-UHFFFAOYSA-N 1 0 362.437 2.415 20 30 FEEDRO C[C@@H]([NH2+]CCC(=O)Nc1sccc1-c1nn[nH]n1)c1ccc(C#N)cc1 ZINC000736136982 598559328 /nfs/dbraw/zinc/55/93/28/598559328.db2.gz VFYLSVYXPFBZIH-LLVKDONJSA-N 1 0 367.438 2.479 20 30 FEEDRO C[C@@H]([NH2+]CCC(=O)Nc1cccc(C#N)c1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820420481 599303178 /nfs/dbraw/zinc/30/31/78/599303178.db2.gz RQOCBAVPTLQQIM-CYBMUJFWSA-N 1 0 361.409 2.418 20 30 FEEDRO CCOC(=O)C1CCC([N@H+](CC)CC(=O)N[C@](C)(C#N)C(C)C)CC1 ZINC000558747537 674514411 /nfs/dbraw/zinc/51/44/11/674514411.db2.gz ITYKAMMSPIMVDV-LADRWXRNSA-N 1 0 351.491 2.485 20 30 FEEDRO C[NH+]1CCN(c2ccc(C=[NH+][N-]c3ccc(-c4nn[nH]n4)cc3)cc2)CC1 ZINC000826038648 608218467 /nfs/dbraw/zinc/21/84/67/608218467.db2.gz SQDACIBKDNVYLN-UHFFFAOYSA-N 1 0 362.441 2.065 20 30 FEEDRO CC(C)(CCC#N)C[NH+]1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824152919 608501183 /nfs/dbraw/zinc/50/11/83/608501183.db2.gz TUKIDHYGLHXUTB-UHFFFAOYSA-N 1 0 353.474 2.314 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H]1CCCc2cc(S(N)(=O)=O)ccc21 ZINC000559841939 674558119 /nfs/dbraw/zinc/55/81/19/674558119.db2.gz KAIWGVUIIUUQGA-WBAXXEDZSA-N 1 0 350.484 2.282 20 30 FEEDRO COc1ccc([C@@H](CCC#N)[NH2+]C[C@@H]2CCCCN2S(C)(=O)=O)cc1 ZINC000560585099 674601211 /nfs/dbraw/zinc/60/12/11/674601211.db2.gz QLDMXRSQTPVMDF-FUHWJXTLSA-N 1 0 365.499 2.444 20 30 FEEDRO C#C[C@@H](NC(=O)NCC(C)(C)N1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000811998587 674645807 /nfs/dbraw/zinc/64/58/07/674645807.db2.gz TWVAGDMTGLZLRU-QGZVFWFLSA-N 1 0 362.905 2.340 20 30 FEEDRO CC(=NNS(=O)(=O)Cc1ccccc1)c1ccc2c(c1)CC[NH2+]CC2 ZINC000814816405 674881779 /nfs/dbraw/zinc/88/17/79/674881779.db2.gz NEYHLSMVUHJRLY-UHFFFAOYSA-N 1 0 357.479 2.218 20 30 FEEDRO C=CCNC(=O)C[N@H+]1CCCC[C@@H]1[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000815203972 674930021 /nfs/dbraw/zinc/93/00/21/674930021.db2.gz PCLXSNXLIIKMNM-HZPDHXFCSA-N 1 0 351.491 2.400 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccccc1SC(F)(F)F ZINC000815860659 674978814 /nfs/dbraw/zinc/97/88/14/674978814.db2.gz VLTANTFFAMLFLM-UHFFFAOYSA-N 1 0 373.400 2.308 20 30 FEEDRO C=C1CC[NH+](C[C@@H]2CCCN(C(=O)CNC(=O)OC(C)(C)C)C2)CC1 ZINC000816505373 675061194 /nfs/dbraw/zinc/06/11/94/675061194.db2.gz UOGFYJJDQDKXQK-INIZCTEOSA-N 1 0 351.491 2.402 20 30 FEEDRO CC(C)(C)OC(=O)NCC(=O)N1CCC[C@H](C[NH2+]CCCCC#N)C1 ZINC000816548928 675064310 /nfs/dbraw/zinc/06/43/10/675064310.db2.gz XSUFZCUJSFYQHZ-OAHLLOKOSA-N 1 0 352.479 2.033 20 30 FEEDRO CC(C)c1nc(CC[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)cs1 ZINC000564848458 675067910 /nfs/dbraw/zinc/06/79/10/675067910.db2.gz XJKSNLSFNDZKIL-UHFFFAOYSA-N 1 0 364.496 2.139 20 30 FEEDRO C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C[C@H](C)n2ccnc2)cc1 ZINC000565055826 675090754 /nfs/dbraw/zinc/09/07/54/675090754.db2.gz ZQGMWNGMDIVZGV-AWEZNQCLSA-N 1 0 362.455 2.279 20 30 FEEDRO CC(C)(C)[N@@H+]1C[C@@H](C(=O)Nc2ccn(CCC#N)n2)[C@H](C(F)(F)F)C1 ZINC000569700963 670599306 /nfs/dbraw/zinc/59/93/06/670599306.db2.gz ORSNUXVBSQYINB-VXGBXAGGSA-N 1 0 357.380 2.644 20 30 FEEDRO Cc1cccc(OC[C@@H](C)[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)c1 ZINC000570322211 670696428 /nfs/dbraw/zinc/69/64/28/670696428.db2.gz DPHQGSWVIQKUCH-OAHLLOKOSA-N 1 0 359.451 2.093 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N[C@@H](C(=O)OC)c2ccc(Cl)c(F)c2)CC1 ZINC000089373078 670700001 /nfs/dbraw/zinc/70/00/01/670700001.db2.gz PZTQKRHTZRTQOT-MRXNPFEDSA-N 1 0 366.820 2.155 20 30 FEEDRO CC(C)[C@H](C[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)c1cccnc1 ZINC000570444596 670715020 /nfs/dbraw/zinc/71/50/20/670715020.db2.gz SLYXXSZBVCCYRP-KRWDZBQOSA-N 1 0 358.467 2.151 20 30 FEEDRO O=C(NCC[NH2+]Cc1cc(Br)cs1)C1N=CC=CC1=O ZINC000113360759 670883874 /nfs/dbraw/zinc/88/38/74/670883874.db2.gz JOMNCCZUAFWZHM-SEYXRHQNSA-N 1 0 356.245 2.127 20 30 FEEDRO CCS[C@H]1CCC[C@@H]([NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000571515766 670885139 /nfs/dbraw/zinc/88/51/39/670885139.db2.gz ATVIDZOLHYWPDY-CABCVRRESA-N 1 0 353.513 2.381 20 30 FEEDRO C=CCOc1ccc(CN2CCC[C@@H](CS(N)(=O)=O)C2)cc1Cl ZINC000572024188 670952645 /nfs/dbraw/zinc/95/26/45/670952645.db2.gz CXYSIXBVXWDEJI-CQSZACIVSA-N 1 0 358.891 2.405 20 30 FEEDRO N#C[C@@H](c1cccs1)N1CCN(C(=O)C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)CC1 ZINC000566054769 675176373 /nfs/dbraw/zinc/17/63/73/675176373.db2.gz WSXLIQMWSQDPKA-TWMKSMIVSA-N 1 0 358.511 2.235 20 30 FEEDRO CCN(CCC[NH2+][C@H](CCC#N)c1ccc(OC)cc1)S(C)(=O)=O ZINC000574479103 671244826 /nfs/dbraw/zinc/24/48/26/671244826.db2.gz FGAXOYAJADEUFB-QGZVFWFLSA-N 1 0 353.488 2.301 20 30 FEEDRO N#Cc1cc(S(=O)(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)ccc1Cl ZINC000609353177 675919979 /nfs/dbraw/zinc/91/99/79/675919979.db2.gz JJNPQLICNZPHPN-CQSZACIVSA-N 1 0 353.875 2.461 20 30 FEEDRO CN(CCC#N)C[C@@H](O)C[NH2+]Cc1ccc(Br)cc1Cl ZINC000577722025 671616052 /nfs/dbraw/zinc/61/60/52/671616052.db2.gz DBULXNLGZNOQGI-ZDUSSCGKSA-N 1 0 360.683 2.398 20 30 FEEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000609438305 675922248 /nfs/dbraw/zinc/92/22/48/675922248.db2.gz BQLXYUSXWSEKTD-KGLIPLIRSA-N 1 0 360.483 2.230 20 30 FEEDRO CC(C)[N@H+](C)C[C@@H](C)NS(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000580743841 671828849 /nfs/dbraw/zinc/82/88/49/671828849.db2.gz QHOGCKHYZVQSNE-LLVKDONJSA-N 1 0 374.304 2.328 20 30 FEEDRO CC(C)CNC(=[NH2+])NCc1ccc(Br)cc1N1CCOCC1 ZINC000119554120 671902584 /nfs/dbraw/zinc/90/25/84/671902584.db2.gz HYLFGRFZSZGUOX-UHFFFAOYSA-N 1 0 369.307 2.346 20 30 FEEDRO N#Cc1nc(NC2CC[NH+](C[C@@H]3CCOC3)CC2)ccc1C(F)(F)F ZINC000581587045 671914092 /nfs/dbraw/zinc/91/40/92/671914092.db2.gz UKHQCTHELHBGMD-LBPRGKRZSA-N 1 0 354.376 2.885 20 30 FEEDRO CC[NH+](CC)CC#C[C@H](C)OC(=O)CN1C(=O)CSc2ccccc21 ZINC000121371437 671947779 /nfs/dbraw/zinc/94/77/79/671947779.db2.gz XYLCEEGPTNTHNC-HNNXBMFYSA-N 1 0 360.479 2.402 20 30 FEEDRO C=C[C@](C)(O)CC(=O)NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000581973951 671954306 /nfs/dbraw/zinc/95/43/06/671954306.db2.gz KPMDNWCAQOKHGL-IBGZPJMESA-N 1 0 365.905 2.295 20 30 FEEDRO C[C@H]1CCCN(C(C)(C)C[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000582117609 671969806 /nfs/dbraw/zinc/96/98/06/671969806.db2.gz XUQXSTWYHGDCMH-INIZCTEOSA-N 1 0 363.527 2.432 20 30 FEEDRO C#CCOc1ccc(Br)cc1C[NH2+]C[C@@]1(OC)CCOC1 ZINC000122953342 671972776 /nfs/dbraw/zinc/97/27/76/671972776.db2.gz HSNQOPCFOZUGFL-INIZCTEOSA-N 1 0 354.244 2.356 20 30 FEEDRO CC(C)(C)OC(=O)N1CCN2C(NC[C@]3(C)CCCS3)=[NH+]C[C@H]2C1 ZINC000129052998 672056738 /nfs/dbraw/zinc/05/67/38/672056738.db2.gz LWAWSQIFKREIJO-GUYCJALGSA-N 1 0 354.520 2.153 20 30 FEEDRO CCN(CCC#N)S(=O)(=O)NC[C@@H](c1ccc(SC)cc1)[NH+](C)C ZINC000583569465 672107870 /nfs/dbraw/zinc/10/78/70/672107870.db2.gz AQKMZVUHBFWPGA-INIZCTEOSA-N 1 0 370.544 2.081 20 30 FEEDRO CC[NH+](CC)CC#C[C@@H](C)OC(=O)c1cccc(S(=O)(=O)CC)c1 ZINC000136383039 672138693 /nfs/dbraw/zinc/13/86/93/672138693.db2.gz FTZVBGXXQWMJNJ-OAHLLOKOSA-N 1 0 351.468 2.371 20 30 FEEDRO N#CC1(CS(=O)(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC000584689345 672205969 /nfs/dbraw/zinc/20/59/69/672205969.db2.gz JDPQNJTVGCDCGV-ROUUACIJSA-N 1 0 359.495 2.074 20 30 FEEDRO C#CCOc1ccccc1C[NH2+]CCNS(=O)(=O)c1ccc(C)s1 ZINC000159042122 672276495 /nfs/dbraw/zinc/27/64/95/672276495.db2.gz OWBXUQXQUFLNGU-UHFFFAOYSA-N 1 0 364.492 2.137 20 30 FEEDRO CSCCCON=C(N)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000174148615 672358546 /nfs/dbraw/zinc/35/85/46/672358546.db2.gz DKZHUGTWXMWYBG-UHFFFAOYSA-N 1 0 350.532 2.236 20 30 FEEDRO CC(C)(C)c1csc(NC(=O)C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c1C#N ZINC000591301880 672667090 /nfs/dbraw/zinc/66/70/90/672667090.db2.gz CFZVROUZKRHFNQ-SUHUHFCYSA-N 1 0 360.483 2.051 20 30 FEEDRO CC(C)(C)c1csc(NC(=O)C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c1C#N ZINC000591301882 672667116 /nfs/dbraw/zinc/66/71/16/672667116.db2.gz CFZVROUZKRHFNQ-ZKYQVNSYSA-N 1 0 360.483 2.051 20 30 FEEDRO CC(C)(C)c1csc(NC(=O)C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)c1C#N ZINC000591304334 672667759 /nfs/dbraw/zinc/66/77/59/672667759.db2.gz DIMFJZHEPDWUAS-BXUZGUMPSA-N 1 0 360.483 2.066 20 30 FEEDRO C[C@H]([NH2+]C1CCN(S(=O)(=O)C2CC2)CC1)c1ccc(C#N)cc1F ZINC000611589233 676046878 /nfs/dbraw/zinc/04/68/78/676046878.db2.gz UVNOPPGCFWTKRI-LBPRGKRZSA-N 1 0 351.447 2.305 20 30 FEEDRO CNC(=O)[C@@]1(C(F)(F)F)CCN(Cc2cn3ccccc3c2C#N)C1 ZINC000592184272 672768625 /nfs/dbraw/zinc/76/86/25/672768625.db2.gz ICUBYHJFTQDLSJ-MRXNPFEDSA-N 1 0 350.344 2.311 20 30 FEEDRO C[C@@H]1CCCN(S(=O)(=O)c2cccc(Br)c2C#N)[C@@H]1C[NH3+] ZINC000592370515 672793055 /nfs/dbraw/zinc/79/30/55/672793055.db2.gz JGYQTOIPDHHZHI-ZWNOBZJWSA-N 1 0 372.288 2.069 20 30 FEEDRO C[C@H]1CCCN(S(=O)(=O)c2ccc(C#N)c(Br)c2)[C@@H]1C[NH3+] ZINC000592370562 672793145 /nfs/dbraw/zinc/79/31/45/672793145.db2.gz RHCSMCOIPYERCJ-IINYFYTJSA-N 1 0 372.288 2.069 20 30 FEEDRO C[NH+]=C(NCc1cc(Cl)c2c(c1)OCCO2)N(C)C[C@@H]1CCOC1 ZINC000261697715 672901728 /nfs/dbraw/zinc/90/17/28/672901728.db2.gz SQUQDTNEAKJABW-LBPRGKRZSA-N 1 0 353.850 2.155 20 30 FEEDRO C[NH+]=C(NCCn1ccnc1C)N[C@@H]1CCN(c2cccc(Cl)c2)C1 ZINC000261814468 672903693 /nfs/dbraw/zinc/90/36/93/672903693.db2.gz SZXHPGSEYZMEPJ-MRXNPFEDSA-N 1 0 360.893 2.289 20 30 FEEDRO CCc1nc(CNC(=[NH+]C)N2CCN([C@H](C)C(F)(F)F)CC2)cs1 ZINC000261876645 672904522 /nfs/dbraw/zinc/90/45/22/672904522.db2.gz ORZNLQSFXZOFLK-LLVKDONJSA-N 1 0 363.453 2.349 20 30 FEEDRO CS(=O)(=O)c1cc(CNC(=[NH2+])NC2CCCC2)cc(C(F)(F)F)c1 ZINC000261897263 672904852 /nfs/dbraw/zinc/90/48/52/672904852.db2.gz VHCRQWAAAIFCKO-UHFFFAOYSA-N 1 0 363.405 2.456 20 30 FEEDRO CC[NH+]=C(NCc1nnc2n1CCCCC2)NC[C@]1(C)CCCS1 ZINC000261951542 672906136 /nfs/dbraw/zinc/90/61/36/672906136.db2.gz HNPUZJOHAKJBQH-KRWDZBQOSA-N 1 0 350.536 2.345 20 30 FEEDRO C[NH+]=C(NCC[S@](=O)Cc1ccccc1)N1CCSC(C)(C)C1 ZINC000261981034 672906555 /nfs/dbraw/zinc/90/65/55/672906555.db2.gz RHYGOBDJGGPURZ-QHCPKHFHSA-N 1 0 353.557 2.338 20 30 FEEDRO C[NH+]=C(NC[C@H](C)N1CCc2sccc2C1)N1CC[C@@]2(CCOC2)C1 ZINC000261974425 672906616 /nfs/dbraw/zinc/90/66/16/672906616.db2.gz NJKHZSGPMVYMBX-HNAYVOBHSA-N 1 0 362.543 2.183 20 30 FEEDRO C[NH+]=C(NCc1nnc2ccc(C(F)(F)F)cn21)NC[C@H]1CCCS1 ZINC000262005849 672907446 /nfs/dbraw/zinc/90/74/46/672907446.db2.gz VOEYTPMVGBZKAY-LLVKDONJSA-N 1 0 372.420 2.309 20 30 FEEDRO CCN(CC)S(=O)(=O)c1ccc(CNC(=[NH2+])N2CCC[C@@H](C)C2)s1 ZINC000262322266 672913206 /nfs/dbraw/zinc/91/32/06/672913206.db2.gz QMKWGWGSOIDNDH-CYBMUJFWSA-N 1 0 372.560 2.325 20 30 FEEDRO C#CCNC(NC[C@@H]1CCN(c2ccc(Br)cc2)C1)=[NH+]CC ZINC000262615678 672918298 /nfs/dbraw/zinc/91/82/98/672918298.db2.gz LSIICCDFFYJZSC-AWEZNQCLSA-N 1 0 363.303 2.464 20 30 FEEDRO CS(=O)(=O)N1CCCC[C@@H]1CNC(=[NH2+])Nc1cccc2c1CCCC2 ZINC000262670199 672919021 /nfs/dbraw/zinc/91/90/21/672919021.db2.gz QPGUSNIFOJZTKL-OAHLLOKOSA-N 1 0 364.515 2.106 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)[C@@H]1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000593419437 672920901 /nfs/dbraw/zinc/92/09/01/672920901.db2.gz VGRKGABDSIALGO-CVEARBPZSA-N 1 0 351.491 2.438 20 30 FEEDRO Cc1ccc(CN(CC[NH+](C)C)S(=O)(=O)c2ccsc2C#N)o1 ZINC000593532851 672935348 /nfs/dbraw/zinc/93/53/48/672935348.db2.gz FFDMJCXTVZSHMO-UHFFFAOYSA-N 1 0 353.469 2.274 20 30 FEEDRO CS[C@H]1CN(S(=O)(=O)c2ccc(C(C)(C)C#N)cc2)C[C@H]1[NH+](C)C ZINC000593571509 672946893 /nfs/dbraw/zinc/94/68/93/672946893.db2.gz UNZRWIRAMGUZTD-CVEARBPZSA-N 1 0 367.540 2.154 20 30 FEEDRO C[N@@H+]1C[C@@H]2CCCN(C(=O)Cc3ccc(Br)cc3C#N)[C@@H]2C1 ZINC000593743643 672986699 /nfs/dbraw/zinc/98/66/99/672986699.db2.gz GZQZCOOTIAJTPO-XJKSGUPXSA-N 1 0 362.271 2.416 20 30 FEEDRO CCN(CC)C(=[NH2+])NCc1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1 ZINC000303892099 673018618 /nfs/dbraw/zinc/01/86/18/673018618.db2.gz NKNIKHFUHMTARY-HNNXBMFYSA-N 1 0 366.531 2.264 20 30 FEEDRO CC(C)(C)NC(=[NH2+])NCCCNC(=O)c1ccc(Br)cc1 ZINC000303988867 673019805 /nfs/dbraw/zinc/01/98/05/673019805.db2.gz WVOUSOGCWAUFFN-UHFFFAOYSA-N 1 0 355.280 2.272 20 30 FEEDRO CCO[C@H](CCNC(=[NH2+])N1CCN(C(=O)OC(C)(C)C)CC1)C(C)C ZINC000304792985 673020675 /nfs/dbraw/zinc/02/06/75/673020675.db2.gz LHKCIEZGXVTUOO-OAHLLOKOSA-N 1 0 356.511 2.305 20 30 FEEDRO CC1CCN(C(=[NH2+])NC[C@H](O)COc2ccccc2Br)CC1 ZINC000305084520 673021519 /nfs/dbraw/zinc/02/15/19/673021519.db2.gz SSCDAVAWTFGMAY-ZDUSSCGKSA-N 1 0 370.291 2.235 20 30 FEEDRO CC(C)(C)NC(=[NH2+])NCCOc1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000305697719 673021902 /nfs/dbraw/zinc/02/19/02/673021902.db2.gz ASMNXFUJPITTCC-UHFFFAOYSA-N 1 0 367.393 2.062 20 30 FEEDRO N#CCCCC[C@@H]([NH3+])C(=O)N1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000594430105 673070798 /nfs/dbraw/zinc/07/07/98/673070798.db2.gz VURQXCGUSPOBSO-MRXNPFEDSA-N 1 0 362.861 2.036 20 30 FEEDRO C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)[C@H]([NH3+])CCCCC#N ZINC000594430331 673070844 /nfs/dbraw/zinc/07/08/44/673070844.db2.gz ZOFWARFODLAOPU-CZUORRHYSA-N 1 0 351.472 2.021 20 30 FEEDRO N#CCCCC[C@H]([NH3+])C(=O)NC[C@H](O)COc1cccc(Cl)c1Cl ZINC000594431938 673071416 /nfs/dbraw/zinc/07/14/16/673071416.db2.gz SWOZSYTYZZLKAP-AAEUAGOBSA-N 1 0 374.268 2.261 20 30 FEEDRO CC[NH+]1CCC(CCNC(=O)N[C@H]2CCOC3(CCOCC3)C2)CC1 ZINC000330252042 673087985 /nfs/dbraw/zinc/08/79/85/673087985.db2.gz IDIJLDUTCIZPLV-KRWDZBQOSA-N 1 0 353.507 2.340 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1Cl ZINC000333869396 673109573 /nfs/dbraw/zinc/10/95/73/673109573.db2.gz RRFOTMKUDQYELD-CJNGLKHVSA-N 1 0 353.875 2.364 20 30 FEEDRO COc1cc(C#N)ccc1S(=O)(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000594853978 673164439 /nfs/dbraw/zinc/16/44/39/673164439.db2.gz CCPUMWZNEWFELM-HNNXBMFYSA-N 1 0 363.483 2.252 20 30 FEEDRO C[NH2+]C[C@@H]1C[C@H](F)CN1S(=O)(=O)c1sc2ccc(C#N)cc2c1C ZINC000595112609 673195175 /nfs/dbraw/zinc/19/51/75/673195175.db2.gz WAGCXEXIPURKKN-STQMWFEESA-N 1 0 367.471 2.402 20 30 FEEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N(C)CC1C[NH+](C)C1 ZINC000595150008 673200738 /nfs/dbraw/zinc/20/07/38/673200738.db2.gz BXAQSWBCSOJEIS-CYBMUJFWSA-N 1 0 360.483 2.039 20 30 FEEDRO N#CCCC[C@@H]([NH3+])C(=O)Nc1ccc(I)cc1F ZINC000595255046 673214118 /nfs/dbraw/zinc/21/41/18/673214118.db2.gz HMPCIJSQJAEPCT-SNVBAGLBSA-N 1 0 361.158 2.390 20 30 FEEDRO N#Cc1sccc1N1CCN(C(=O)NC[C@H]([NH3+])c2ccccc2)CC1 ZINC000595268985 673215561 /nfs/dbraw/zinc/21/55/61/673215561.db2.gz YAGKLYFHPMMIPA-HNNXBMFYSA-N 1 0 355.467 2.151 20 30 FEEDRO C=CCN1C(=S)N=NC1c1sc(NC(=O)[C@H]2CC[N@@H+](C)C2)nc1C ZINC000729284321 673231296 /nfs/dbraw/zinc/23/12/96/673231296.db2.gz YQEPJVDNGAZPQN-JTQLQIEISA-N 1 0 364.500 2.075 20 30 FEEDRO CC(C)[C@@H]1CN(S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)CC[NH2+]1 ZINC000595410626 673245768 /nfs/dbraw/zinc/24/57/68/673245768.db2.gz FYJSSEWSLAQADK-AWEZNQCLSA-N 1 0 361.389 2.196 20 30 FEEDRO N#Cc1cc(S(=O)(=O)NC[C@@H]2CCC[N@H+](CC3CC3)C2)ccc1F ZINC000595411107 673246080 /nfs/dbraw/zinc/24/60/80/673246080.db2.gz NWJDWFFWORCFCR-AWEZNQCLSA-N 1 0 351.447 2.098 20 30 FEEDRO C[C@H](NC(=O)N1CCN(c2ccsc2C#N)CC1)C1=CC[N@H+](C)CC1 ZINC000595581481 673269580 /nfs/dbraw/zinc/26/95/80/673269580.db2.gz LGXBDFKRLZPLTM-AWEZNQCLSA-N 1 0 359.499 2.102 20 30 FEEDRO C[C@@H]1CCCC[C@]1(CNC(=O)OC(C)(C)C)[NH2+]CC(=O)NCCC#N ZINC000731847916 673344732 /nfs/dbraw/zinc/34/47/32/673344732.db2.gz ZXBJKBLKXCBFHO-RDTXWAMCSA-N 1 0 352.479 2.079 20 30 FEEDRO CC(=NNC(=S)NCCC[NH+](C)C)c1cnn(-c2ccccc2)c1C ZINC000731928056 673348378 /nfs/dbraw/zinc/34/83/78/673348378.db2.gz CNMAURRFZMEHDA-UHFFFAOYSA-N 1 0 358.515 2.321 20 30 FEEDRO C[NH+]1CCN(Cc2ccc(CNc3nc(C#N)c(Cl)s3)cc2)CC1 ZINC000596075740 673356464 /nfs/dbraw/zinc/35/64/64/673356464.db2.gz KHJWZGNABMVYGD-UHFFFAOYSA-N 1 0 361.902 3.028 20 30 FEEDRO N#Cc1sccc1N1CCN(C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000596151314 673363461 /nfs/dbraw/zinc/36/34/61/673363461.db2.gz HHKWQYCRZNAXBG-GJZGRUSLSA-N 1 0 359.499 2.078 20 30 FEEDRO CN(C[C@H]1CCC[N@H+](Cc2ccc(C3(C#N)CC3)cc2)C1)S(C)(=O)=O ZINC000597126749 673450168 /nfs/dbraw/zinc/45/01/68/673450168.db2.gz CHTQHKLNOHRMBS-QGZVFWFLSA-N 1 0 361.511 2.345 20 30 FEEDRO CCOCCC[N@@H+]1CCC(=NNS(=O)(=O)c2ccccc2)[C@@H](C)C1 ZINC000735224200 673486521 /nfs/dbraw/zinc/48/65/21/673486521.db2.gz PJUKTVIJJAUCBG-HNNXBMFYSA-N 1 0 353.488 2.089 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)OCC(=O)Nc2ccc(OC)c(Cl)c2)CC1 ZINC000735940527 673508767 /nfs/dbraw/zinc/50/87/67/673508767.db2.gz QXTLDEDOOYBJJC-UHFFFAOYSA-N 1 0 364.829 2.176 20 30 FEEDRO C[NH+](C)C[C@@H]1COC2(CCCC2)CN1C(=O)c1ncc(C#N)cc1Cl ZINC000598536599 673579843 /nfs/dbraw/zinc/57/98/43/673579843.db2.gz UADRVMALRHTLJQ-CQSZACIVSA-N 1 0 362.861 2.322 20 30 FEEDRO CC(C)(C#N)C[C@H](O)C[NH+]1CCN(c2ccc(Br)cn2)CC1 ZINC000598586564 673586771 /nfs/dbraw/zinc/58/67/71/673586771.db2.gz IRLWZBKODDVOSF-AWEZNQCLSA-N 1 0 367.291 2.267 20 30 FEEDRO CCN(CC)S(=O)(=O)c1ccc(C[NH2+]C[C@H](O)CC(C)(C)C#N)cc1 ZINC000598714932 673602582 /nfs/dbraw/zinc/60/25/82/673602582.db2.gz KVIMKSASJJOJCS-MRXNPFEDSA-N 1 0 367.515 2.107 20 30 FEEDRO CC(C)(C#N)C[C@@H](O)C[NH2+]CCNC(=O)c1cccc(Br)c1 ZINC000598720703 673603076 /nfs/dbraw/zinc/60/30/76/673603076.db2.gz PSAXKRLCJJWZDB-CQSZACIVSA-N 1 0 368.275 2.069 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)c2cc(Br)ccc2O)CC1 ZINC000740748357 673652411 /nfs/dbraw/zinc/65/24/11/673652411.db2.gz FMLKWVWSKMHLCC-UHFFFAOYSA-N 1 0 351.244 2.372 20 30 FEEDRO N#CC1(C[C@H](O)C[NH2+][C@@H](CCO)c2ccc(Cl)cc2)CCOCC1 ZINC000599418752 673673416 /nfs/dbraw/zinc/67/34/16/673673416.db2.gz WFTFSCGTXSIYPM-IRXDYDNUSA-N 1 0 352.862 2.424 20 30 FEEDRO N#Cc1ccccc1OC[C@@H](O)C[NH2+][C@H]1CCOC2(CCSCC2)C1 ZINC000600726608 673794743 /nfs/dbraw/zinc/79/47/43/673794743.db2.gz IDTKAFXCONZMCH-IRXDYDNUSA-N 1 0 362.495 2.332 20 30 FEEDRO N#CC1(C[C@H](O)C[NH2+]CCc2ccc(I)cc2)CC1 ZINC000600746968 673796350 /nfs/dbraw/zinc/79/63/50/673796350.db2.gz VDNUTMPZVNLLMH-AWEZNQCLSA-N 1 0 370.234 2.478 20 30 FEEDRO N#Cc1ccccc1CSCC[NH2+]Cc1cn(C[C@@H]2CCOC2)nn1 ZINC000601100620 673826197 /nfs/dbraw/zinc/82/61/97/673826197.db2.gz WHNOMPNBFMXWDD-HNNXBMFYSA-N 1 0 357.483 2.209 20 30 FEEDRO N#CCc1ccc(CS(=O)(=O)NCC[C@@H]([NH3+])Cc2ccccc2)cc1 ZINC000601345495 673846040 /nfs/dbraw/zinc/84/60/40/673846040.db2.gz VKTZUESQKFHVIY-LJQANCHMSA-N 1 0 357.479 2.132 20 30 FEEDRO CC1([NH+]2CCCC2)CCN(S(=O)(=O)c2c(F)cc(C#N)cc2F)CC1 ZINC000601496763 673870472 /nfs/dbraw/zinc/87/04/72/673870472.db2.gz KPDIVLBAYWTTLM-UHFFFAOYSA-N 1 0 369.437 2.475 20 30 FEEDRO COc1cc(C#N)ccc1C[N@H+](CCN1CCOCC1)[C@H]1CCSC1 ZINC000602879569 673912323 /nfs/dbraw/zinc/91/23/23/673912323.db2.gz BRINBMCVKGZEFP-SFHVURJKSA-N 1 0 361.511 2.207 20 30 FEEDRO C#CC[N@@H+](C)CCCNC(=O)[C@H](C)c1c(C)nn(CC(F)(F)F)c1C ZINC000818593243 675226900 /nfs/dbraw/zinc/22/69/00/675226900.db2.gz QVRCWDCHZYGTFL-GFCCVEGCSA-N 1 0 358.408 2.237 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)c1cn(C(C)(C)C)nc1Br ZINC000818602763 675227801 /nfs/dbraw/zinc/22/78/01/675227801.db2.gz CTSGRSKRNANCEH-UHFFFAOYSA-N 1 0 355.280 2.086 20 30 FEEDRO Cc1ccc(Cl)c(OC[C@H](O)C[NH2+]CCNc2ncccc2C#N)c1 ZINC000818976230 675248891 /nfs/dbraw/zinc/24/88/91/675248891.db2.gz XSMZLUFPRJUPPN-OAHLLOKOSA-N 1 0 360.845 2.357 20 30 FEEDRO C=C(Br)C[NH2+]C[C@@H](O)COc1cccc(C(=O)OCC)c1 ZINC000818979745 675249438 /nfs/dbraw/zinc/24/94/38/675249438.db2.gz VOSOGBUBQJWHCG-CYBMUJFWSA-N 1 0 358.232 2.101 20 30 FEEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+][C@@H]2CC[C@@H]3SCCS[C@H]23)c1 ZINC000819197257 675268868 /nfs/dbraw/zinc/26/88/68/675268868.db2.gz HOYXTOSAUHGJOD-OWCLPIDISA-N 1 0 368.549 2.301 20 30 FEEDRO C[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C ZINC000819230871 675272212 /nfs/dbraw/zinc/27/22/12/675272212.db2.gz MYJNITVEDHOAKX-LSDHHAIUSA-N 1 0 352.479 2.126 20 30 FEEDRO C[C@@H]1CN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)[C@@H](C)C[N@@H+]1C ZINC000819452290 675291664 /nfs/dbraw/zinc/29/16/64/675291664.db2.gz KKYPPNDQVLCHBJ-ILXRZTDVSA-N 1 0 352.479 2.125 20 30 FEEDRO C[C@H]1CCC[N@@H+]1CCNC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C ZINC000819931965 675325394 /nfs/dbraw/zinc/32/53/94/675325394.db2.gz YHRUQZLDYOWPIY-LSDHHAIUSA-N 1 0 352.479 2.174 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)[C@@H](O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000820197161 675342743 /nfs/dbraw/zinc/34/27/43/675342743.db2.gz LAFHAFRHXKSUHC-INIZCTEOSA-N 1 0 354.372 2.343 20 30 FEEDRO C#C[C@@H](NC(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1)c1ccc(Cl)cc1 ZINC000820553990 675369475 /nfs/dbraw/zinc/36/94/75/675369475.db2.gz YJKMOOOBYKRDIU-ZWKOTPCHSA-N 1 0 361.873 2.255 20 30 FEEDRO C#C[C@@H](NC(=O)N[C@@H]1CCC[N@@H+](CCCO)C1)c1ccc(Cl)cc1F ZINC000820750082 675384972 /nfs/dbraw/zinc/38/49/72/675384972.db2.gz KEDHLQGRHAPUCV-RHSMWYFYSA-N 1 0 367.852 2.299 20 30 FEEDRO CC1(C#N)CCC([NH2+]C2CCN(S(=O)(=O)C(F)(F)F)CC2)CC1 ZINC000824017408 675580102 /nfs/dbraw/zinc/58/01/02/675580102.db2.gz BNJOPYIJRRTKEV-UHFFFAOYSA-N 1 0 353.410 2.362 20 30 FEEDRO C=CCN1C(=S)N=NC1c1sc(NC(=O)[C@@H]2CC[NH2+][C@H]2C)nc1C ZINC000826532772 675690598 /nfs/dbraw/zinc/69/05/98/675690598.db2.gz YAMCZEOIRVJIMW-WCBMZHEXSA-N 1 0 364.500 2.121 20 30 FEEDRO O=C(C#Cc1cccs1)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000827919544 675786898 /nfs/dbraw/zinc/78/68/98/675786898.db2.gz KTDDUQHJSLHZKB-MJGOQNOKSA-N 1 0 354.475 2.099 20 30 FEEDRO N#Cc1c(NC(=O)CCN2C[C@H]3C[NH2+]C[C@@H]3C2)sc2c1CCCCC2 ZINC000603867340 675801659 /nfs/dbraw/zinc/80/16/59/675801659.db2.gz MYBUEYCRNWPIHC-ZIAGYGMSSA-N 1 0 358.511 2.368 20 30 FEEDRO C=CCCSCCNC(=O)C(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000828698580 675837829 /nfs/dbraw/zinc/83/78/29/675837829.db2.gz OLDFCCZVOFEAJB-UHFFFAOYSA-N 1 0 367.559 2.325 20 30 FEEDRO CC(C)(C#N)c1ccc(C[N@@H+]2CCC[C@@H](N3CCCS3(=O)=O)C2)cc1 ZINC000619057793 676361969 /nfs/dbraw/zinc/36/19/69/676361969.db2.gz LDFPJPRYFPWYAF-GOSISDBHSA-N 1 0 361.511 2.488 20 30 FEEDRO C[C@H](C#N)CN(C)S(=O)(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000619714097 676391968 /nfs/dbraw/zinc/39/19/68/676391968.db2.gz VSEBNJSEBTUIET-AEFFLSMTSA-N 1 0 364.515 2.139 20 30 FEEDRO C[NH+](C)[C@@]1(CNC(=O)NCc2ccc(C#N)c(Cl)c2)CCSC1 ZINC000619759572 676393678 /nfs/dbraw/zinc/39/36/78/676393678.db2.gz QYLDVBYDRISHMC-MRXNPFEDSA-N 1 0 352.891 2.448 20 30 FEEDRO C=CCOc1c(Cl)cc(CN2CC[N@H+](CCO)C[C@@H]2C)cc1OC ZINC000628304351 676797521 /nfs/dbraw/zinc/79/75/21/676797521.db2.gz RTCOPQNRHWFEKR-AWEZNQCLSA-N 1 0 354.878 2.412 20 30 FEEDRO C=CC[C@H]1CC[C@@H]([NH2+]Cc2ccccc2S(=O)(=O)N(C)CCO)C1 ZINC000651712282 677446524 /nfs/dbraw/zinc/44/65/24/677446524.db2.gz ZHXHUDKRUGICLE-DOTOQJQBSA-N 1 0 352.500 2.134 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)Nc1cccc(I)c1 ZINC000838624304 680706797 /nfs/dbraw/zinc/70/67/97/680706797.db2.gz QRBKUAYTMUUNJC-UHFFFAOYSA-N 1 0 371.222 2.368 20 30 FEEDRO C[NH+](C)[C@]1(CNC(=O)Nc2ccc(F)cc2OCC#N)CCSC1 ZINC000761677918 680728896 /nfs/dbraw/zinc/72/88/96/680728896.db2.gz ZSJHOCJIQKNHLE-INIZCTEOSA-N 1 0 352.435 2.287 20 30 FEEDRO C=CCOc1c(Br)cc(C[NH2+][C@H]2CCNC2=O)cc1OC ZINC000657524319 678007659 /nfs/dbraw/zinc/00/76/59/678007659.db2.gz XKQRDCDYXPMBDW-LBPRGKRZSA-N 1 0 355.232 2.001 20 30 FEEDRO C#Cc1cccc(NC(=S)N2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c1 ZINC000763307727 680779426 /nfs/dbraw/zinc/77/94/26/680779426.db2.gz ZPDOKOCCEKFFHP-LPHOPBHVSA-N 1 0 356.539 2.323 20 30 FEEDRO C=C(C[NH+](C)C)C(=O)NCCCc1nnc(SC)n1C1CCCC1 ZINC000764129253 680800800 /nfs/dbraw/zinc/80/08/00/680800800.db2.gz NTPBHFWVHJMSSY-UHFFFAOYSA-N 1 0 351.520 2.282 20 30 FEEDRO CC#CC(=O)NCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000764233491 680803426 /nfs/dbraw/zinc/80/34/26/680803426.db2.gz OKOFYTYGZQTKLK-UHFFFAOYSA-N 1 0 353.388 2.357 20 30 FEEDRO C=CCc1cc(OC)cc(C[N@H+]2CCSC[C@H](C(=O)OC)C2)c1O ZINC000840186700 680805748 /nfs/dbraw/zinc/80/57/48/680805748.db2.gz RFWYMQLASCCDRH-OAHLLOKOSA-N 1 0 351.468 2.467 20 30 FEEDRO C=C(C[NH+](C)C)C(=O)N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000764445941 680809238 /nfs/dbraw/zinc/80/92/38/680809238.db2.gz WDINSBJKZDPJLQ-OAHLLOKOSA-N 1 0 353.260 2.467 20 30 FEEDRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)C(=O)Nc1cccc(C#Cc2cccs2)c1 ZINC000667603172 679116098 /nfs/dbraw/zinc/11/60/98/679116098.db2.gz HJQYJSGDRJBYPK-GUYCJALGSA-N 1 0 353.447 2.035 20 30 FEEDRO CC[C@@H](c1nnc(NC(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)s1)c1ccccc1 ZINC000841110423 680863832 /nfs/dbraw/zinc/86/38/32/680863832.db2.gz HVBGLCGCUOFCEX-MGPQQGTHSA-N 1 0 356.455 2.313 20 30 FEEDRO C=C(C)[C@H](CO)[NH+]1CCC([C@@H]2OCC[C@H]2NC(=O)OC(C)(C)C)CC1 ZINC000831704889 680028404 /nfs/dbraw/zinc/02/84/04/680028404.db2.gz PIHZMMGIZXVTGA-IKGGRYGDSA-N 1 0 354.491 2.318 20 30 FEEDRO C[C@@H]1[C@H](C(=O)N[C@H]2CCN(CC#Cc3cccc(Cl)c3)C2)CC[N@@H+]1C ZINC001014473715 680037464 /nfs/dbraw/zinc/03/74/64/680037464.db2.gz DVDOAGNICTUBID-AYOQOUSVSA-N 1 0 359.901 2.222 20 30 FEEDRO N#Cc1ccc(C[NH+]2CCC3(C[C@@H]3NC(=O)[C@]34C[C@H]3COC4)CC2)s1 ZINC001016635526 680060489 /nfs/dbraw/zinc/06/04/89/680060489.db2.gz VQSMVZKIDLKKKI-AXHNFQJDSA-N 1 0 357.479 2.127 20 30 FEEDRO CC(=NNS(=O)(=O)C(C)C)c1ccc(O)c(C[NH+]2CCCCC2)c1 ZINC000749748639 680071286 /nfs/dbraw/zinc/07/12/86/680071286.db2.gz IOIVNCJYEKZZBV-UHFFFAOYSA-N 1 0 353.488 2.430 20 30 FEEDRO C=C(Cl)C(C)(C)C(=O)N1CC2(C1)CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C2 ZINC001019053295 680087471 /nfs/dbraw/zinc/08/74/71/680087471.db2.gz KKLABGDEPJAUFR-UKRRQHHQSA-N 1 0 367.921 2.166 20 30 FEEDRO CC[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@H]21 ZINC000978542736 680178168 /nfs/dbraw/zinc/17/81/68/680178168.db2.gz RDZVZDFOEAACHC-DZVNLGKHSA-N 1 0 359.495 2.229 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N[C@H](C)CCCNC(=O)OC(C)(C)C)CC1 ZINC000833173089 680189645 /nfs/dbraw/zinc/18/96/45/680189645.db2.gz VDLDWUCGLCAOFQ-OAHLLOKOSA-N 1 0 351.491 2.141 20 30 FEEDRO Cc1cc(Br)ccc1SCC(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000834493159 680234494 /nfs/dbraw/zinc/23/44/94/680234494.db2.gz BFOHTIXLEHGBFF-CMPLNLGQSA-N 1 0 354.273 2.077 20 30 FEEDRO Cc1cc(C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)c2cc(Br)ccc2n1 ZINC000834494868 680234838 /nfs/dbraw/zinc/23/48/38/680234838.db2.gz QHCVSICGMWDHCX-ZUZCIYMTSA-N 1 0 359.227 2.147 20 30 FEEDRO Cc1nn(-c2ccccc2)c2sc(C(=O)N[C@@H]3C[NH2+]C[C@@H]3C#N)cc12 ZINC000834512490 680236807 /nfs/dbraw/zinc/23/68/07/680236807.db2.gz XUVOTZZDJIGRIZ-SWLSCSKDSA-N 1 0 351.435 2.237 20 30 FEEDRO C[C@H](Oc1ccc(Cl)cc1Br)C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000834516732 680237200 /nfs/dbraw/zinc/23/72/00/680237200.db2.gz LLHHRJSBRALBJO-AUTRQRHGSA-N 1 0 372.650 2.098 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N[C@@H](CC(=O)OC)c2ccc(Cl)cc2)CC1 ZINC000752374197 680238196 /nfs/dbraw/zinc/23/81/96/680238196.db2.gz JCPAWGIMTHIBDD-KRWDZBQOSA-N 1 0 362.857 2.406 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@@H](C[NH2+]Cc2cnns2)C1 ZINC001024191768 680283216 /nfs/dbraw/zinc/28/32/16/680283216.db2.gz DGGHZKKOBXHCEC-XIRDDKMYSA-N 1 0 364.515 2.238 20 30 FEEDRO C=C(C)CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F ZINC001024508337 680294824 /nfs/dbraw/zinc/29/48/24/680294824.db2.gz IGVUASGJAHEQED-ZNMIVQPWSA-N 1 0 364.408 2.270 20 30 FEEDRO Ic1ccccc1C=NNC1=[NH+][C@@H]2CCCC[C@@H]2N1 ZINC000753937008 680325415 /nfs/dbraw/zinc/32/54/15/680325415.db2.gz VFGVOSCPFOTTOV-BETUJISGSA-N 1 0 368.222 2.485 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(C[NH2+]C[C@H]2CC(C)(C)CO2)CC1 ZINC000998095743 680375007 /nfs/dbraw/zinc/37/50/07/680375007.db2.gz VXVOEMSNDSQYCP-KURKYZTESA-N 1 0 350.503 2.221 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2nnc(CC)s2)CC1 ZINC000998095956 680375192 /nfs/dbraw/zinc/37/51/92/680375192.db2.gz XXTYSDFTRKHNMO-CABCVRRESA-N 1 0 364.515 2.020 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC(C[NH2+]Cc2nncs2)CC1 ZINC000998138291 680377302 /nfs/dbraw/zinc/37/73/02/680377302.db2.gz FQYDDCDMZJBVFJ-RDJZCZTQSA-N 1 0 364.515 2.238 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+](CCC2CCOCC2)C1 ZINC001028860601 680385773 /nfs/dbraw/zinc/38/57/73/680385773.db2.gz AWFVDGOJFBFRPE-FHWLQOOXSA-N 1 0 350.503 2.222 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1CC([NH2+]CCC2CCOCC2)C1 ZINC000998785721 680388990 /nfs/dbraw/zinc/38/89/90/680388990.db2.gz YVNLXMDQQSJHPX-GMNCBBECSA-N 1 0 350.503 2.363 20 30 FEEDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(c2cccc(S(N)(=O)=O)c2C#N)C1 ZINC000754975353 680391077 /nfs/dbraw/zinc/39/10/77/680391077.db2.gz DYNPCICIUVKMPZ-KFWWJZLASA-N 1 0 362.499 2.047 20 30 FEEDRO C[C@@H]1CCCC[N@@H+]1CCCCNc1cccc(S(N)(=O)=O)c1C#N ZINC000754978953 680391338 /nfs/dbraw/zinc/39/13/38/680391338.db2.gz IMRHMWBEZPHBQN-CQSZACIVSA-N 1 0 350.488 2.272 20 30 FEEDRO N#Cc1c(NC2CC[NH+](CC3CCCC3)CC2)cccc1S(N)(=O)=O ZINC000754990385 680392897 /nfs/dbraw/zinc/39/28/97/680392897.db2.gz MGQUMNIPXFDJEN-UHFFFAOYSA-N 1 0 362.499 2.272 20 30 FEEDRO CC(C)CC[NH+]1CCC(CNc2cccc(S(N)(=O)=O)c2C#N)CC1 ZINC000755004532 680393587 /nfs/dbraw/zinc/39/35/87/680393587.db2.gz ZMMOOTYECQGRGI-UHFFFAOYSA-N 1 0 364.515 2.376 20 30 FEEDRO C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCO[C@H]2c2ccnn2CC)C1 ZINC000999400299 680401895 /nfs/dbraw/zinc/40/18/95/680401895.db2.gz KFIZXSSBMVYLID-BFYDXBDKSA-N 1 0 366.893 2.314 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1C[NH+](CCCC2CCOCC2)C1 ZINC001032047412 680412255 /nfs/dbraw/zinc/41/22/55/680412255.db2.gz DYKUHEBWITVVSL-OALUTQOASA-N 1 0 350.503 2.222 20 30 FEEDRO C=C(Cl)CN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001032641582 680415073 /nfs/dbraw/zinc/41/50/73/680415073.db2.gz YPEFRLHYEVDREA-OKYOBFRVSA-N 1 0 359.901 2.369 20 30 FEEDRO Cc1[nH]cnc1C=NNC(=S)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000755512819 680418777 /nfs/dbraw/zinc/41/87/77/680418777.db2.gz UPPSVSHOZHVZFR-UHFFFAOYSA-N 1 0 356.499 2.181 20 30 FEEDRO N#Cc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)s1 ZINC001034997462 680441966 /nfs/dbraw/zinc/44/19/66/680441966.db2.gz CMWHCYFOQGEJOT-XTENKEOPSA-N 1 0 357.479 2.124 20 30 FEEDRO C#C[C@@H](NC(=O)NCC[N@@H+](C)CCOC)c1ccc(Br)cc1 ZINC000836285928 680444945 /nfs/dbraw/zinc/44/49/45/680444945.db2.gz YWQLTFKTILNINF-OAHLLOKOSA-N 1 0 368.275 2.001 20 30 FEEDRO C[C@@H]1[C@H](C(=O)NC[C@H]2CCN2CC#Cc2cccc(Cl)c2)CC[N@@H+]1C ZINC001038266627 680454629 /nfs/dbraw/zinc/45/46/29/680454629.db2.gz UCLOZTZCDNZBJQ-ATZDWAIDSA-N 1 0 359.901 2.222 20 30 FEEDRO C=C(Cl)C[N@H+]1CC[C@H](C2CCN(C(=O)[C@H]3C[C@@H](C)CC(=O)N3)CC2)C1 ZINC001039131824 680462050 /nfs/dbraw/zinc/46/20/50/680462050.db2.gz WTVYSVPKUCONCN-XOKHGSTOSA-N 1 0 367.921 2.214 20 30 FEEDRO C=C(C[NH+](C)C)C(=O)NC[C@H](CO)Cc1cccc(Br)c1C ZINC000837066256 680547454 /nfs/dbraw/zinc/54/74/54/680547454.db2.gz PVMZYQPECOCSGE-CQSZACIVSA-N 1 0 369.303 2.143 20 30 FEEDRO C[N@@H+]1CCCC(N=Nc2ccc(S(=O)(=O)NC(C)(C)C)cn2)CC1 ZINC000758108908 680555932 /nfs/dbraw/zinc/55/59/32/680555932.db2.gz XNGSURJUNNFCGM-UHFFFAOYSA-N 1 0 353.492 2.042 20 30 FEEDRO C=C(C)CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2OCCO[C@H]2C)CC1 ZINC001004458084 680557055 /nfs/dbraw/zinc/55/70/55/680557055.db2.gz OAJLIBBPIBFVHN-WDSOQIARSA-N 1 0 350.503 2.460 20 30 FEEDRO C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1Nc1nc(Cl)c(C#N)s1 ZINC001043227874 680567542 /nfs/dbraw/zinc/56/75/42/680567542.db2.gz SMPGPJOZIUECHT-ZYHUDNBSSA-N 1 0 367.906 2.269 20 30 FEEDRO CC[C@H](C(=O)N1C[C@@H](C)[C@H](Nc2snc(Cl)c2C#N)C1)[NH+](C)C ZINC001043261315 680569879 /nfs/dbraw/zinc/56/98/79/680569879.db2.gz GASRKMYIWYNMMF-YUSALJHKSA-N 1 0 355.895 2.267 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1CC[NH+](C[C@H]2CCCOC2)CC1 ZINC001005405788 680574204 /nfs/dbraw/zinc/57/42/04/680574204.db2.gz HDOYDRNCNIWHTF-QRQLOZEOSA-N 1 0 350.503 2.317 20 30 FEEDRO C=C(Br)CN1CC[C@@](C)(NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001046330871 680647344 /nfs/dbraw/zinc/64/73/44/680647344.db2.gz VLQOGWQTYAZMLY-SQWLQELKSA-N 1 0 358.324 2.206 20 30 FEEDRO C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H](Nc2snc(Cl)c2C#N)C1 ZINC001047216498 680658593 /nfs/dbraw/zinc/65/85/93/680658593.db2.gz FYMRPIAMALZSDM-LOWVWBTDSA-N 1 0 367.906 2.459 20 30 FEEDRO C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[C@@H](Nc2ncc(C#N)cc2Cl)C1 ZINC001047217342 680658656 /nfs/dbraw/zinc/65/86/56/680658656.db2.gz PGDGAEMKHYLWRP-JGGQBBKZSA-N 1 0 361.877 2.398 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)c2ccc(C3N=NC(=S)O3)cc2)CC1 ZINC000759873198 680670795 /nfs/dbraw/zinc/67/07/95/680670795.db2.gz SBDLEZMLNYUSMI-UHFFFAOYSA-N 1 0 356.451 2.243 20 30 FEEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)Nc1nnc(-c2cc3ccccc3o2)s1 ZINC000841208494 680869072 /nfs/dbraw/zinc/86/90/72/680869072.db2.gz JPAVHQUWBXGBEI-MNOVXSKESA-N 1 0 354.395 2.184 20 30 FEEDRO C#C[C@H](NC(=O)N[C@@H]1C[NH2+]CCC1(F)F)c1ccc(Br)cc1 ZINC000842006487 680921566 /nfs/dbraw/zinc/92/15/66/680921566.db2.gz SXMWICQZXFGERB-QWHCGFSZSA-N 1 0 372.213 2.420 20 30 FEEDRO N#Cc1c(Br)cccc1S(=O)(=O)NCCCCCC[NH3+] ZINC000842917548 680975304 /nfs/dbraw/zinc/97/53/04/680975304.db2.gz WHHQLUDQOZMQEN-UHFFFAOYSA-N 1 0 360.277 2.118 20 30 FEEDRO C[C@H]([NH2+]C[C@H](O)CN(C)CCC#N)[C@@H](O)c1c(Cl)cccc1Cl ZINC000843102973 680987738 /nfs/dbraw/zinc/98/77/38/680987738.db2.gz HZDMUXIAUJGQPE-MQIPJXDCSA-N 1 0 360.285 2.211 20 30 FEEDRO CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1=O ZINC000843873672 681023360 /nfs/dbraw/zinc/02/33/60/681023360.db2.gz QCKGFOBOENXVMU-HBUWYVDXSA-N 1 0 352.479 2.029 20 30 FEEDRO N#Cc1ccc(C[NH2+]C[C@H]2CC[C@H](NC(=O)[C@]34C[C@H]3COC4)CC2)s1 ZINC001050327499 681045109 /nfs/dbraw/zinc/04/51/09/681045109.db2.gz XYURYZOZXQIHOM-XLPNERPQSA-N 1 0 359.495 2.421 20 30 FEEDRO N#Cc1ccc(C[NH2+]C[C@@H]2CN(C(=O)C[C@@H]3C[C@H]3C3CC3)CCO2)s1 ZINC001051723037 681068828 /nfs/dbraw/zinc/06/88/28/681068828.db2.gz BHFZWEJRJVXIGW-DAYGRLMNSA-N 1 0 359.495 2.373 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)O[C@@H](C)C(=O)Nc2ccc(F)c(F)c2)CC1 ZINC000772114918 681086362 /nfs/dbraw/zinc/08/63/62/681086362.db2.gz RLACHRHSFNDFAC-LBPRGKRZSA-N 1 0 350.365 2.180 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)OCC(=O)Nc2cc(Cl)ccc2C#N)CC1 ZINC000772113430 681086376 /nfs/dbraw/zinc/08/63/76/681086376.db2.gz DWMVYYPWPVSGNX-UHFFFAOYSA-N 1 0 359.813 2.039 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1COC2(C[NH+](CC(CC)CC)C2)C1 ZINC001053805656 681104050 /nfs/dbraw/zinc/10/40/50/681104050.db2.gz VMDWWDDINPQLTG-KSZLIROESA-N 1 0 350.503 2.363 20 30 FEEDRO C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1CNc1ncc(C#N)cc1Cl ZINC001054408567 681107453 /nfs/dbraw/zinc/10/74/53/681107453.db2.gz MYFHDCYOUHEHDE-VHDGCEQUSA-N 1 0 361.877 2.065 20 30 FEEDRO Cc1nsc(NC[C@@H]2CN(C(=O)C[N@H+]3CC[C@@H](C)C3)C[C@H]2C)c1C#N ZINC001054569077 681113164 /nfs/dbraw/zinc/11/31/64/681113164.db2.gz AZUWWLJPEXOGGK-UMVBOHGHSA-N 1 0 361.515 2.171 20 30 FEEDRO C#C[C@H](NC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)[C@H]1CCCO1 ZINC000773259389 681133371 /nfs/dbraw/zinc/13/33/71/681133371.db2.gz MAWYZXKQBGYANA-RYQLBKOJSA-N 1 0 361.511 2.440 20 30 FEEDRO C=C[C@H](C)ONC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000845626412 681141984 /nfs/dbraw/zinc/14/19/84/681141984.db2.gz GRIJMIXTAJYWOL-RYQLBKOJSA-N 1 0 352.523 2.471 20 30 FEEDRO C#C[C@H](NC(=O)NCC1([NH+]2CCSCC2)CCCCC1)[C@@H]1CCCO1 ZINC000773555927 681148236 /nfs/dbraw/zinc/14/82/36/681148236.db2.gz GNEALJHSQOWNBQ-IRXDYDNUSA-N 1 0 365.543 2.218 20 30 FEEDRO CC[C@@H]1[C@@H](C(=O)N2CCC(Nc3snc(C)c3C#N)CC2)CC[N@@H+]1C ZINC001057443949 681160915 /nfs/dbraw/zinc/16/09/15/681160915.db2.gz PRIBFLYRJCXKLH-GOEBONIOSA-N 1 0 361.515 2.456 20 30 FEEDRO C[N@H+]1C[C@H]2CN(C(=O)N[C@@H](c3cccc(C#N)c3)C(F)(F)F)C[C@H]2C1 ZINC000932236112 681202703 /nfs/dbraw/zinc/20/27/03/681202703.db2.gz ZROYMAMWVUQETR-ZNMIVQPWSA-N 1 0 352.360 2.365 20 30 FEEDRO C[C@@H](C[NH+](C)C)NC(=O)Nc1ccc(C#N)cc1I ZINC000932549312 681263031 /nfs/dbraw/zinc/26/30/31/681263031.db2.gz JHHGXIAJESPEBH-VIFPVBQESA-N 1 0 372.210 2.234 20 30 FEEDRO N#CC1(C(=O)NCC2([NH+]3CCCCC3)CCOCC2)CCSCC1 ZINC000932537342 681262055 /nfs/dbraw/zinc/26/20/55/681262055.db2.gz GLSGDDCEBPZECF-UHFFFAOYSA-N 1 0 351.516 2.175 20 30 FEEDRO C#CC[C@H]([NH2+]CCCN1C(=O)CS/C1=C/C(=O)OC)c1ccccc1 ZINC000775401832 681304314 /nfs/dbraw/zinc/30/43/14/681304314.db2.gz ZMTQWANSRULNAE-HZGBGQKMSA-N 1 0 358.463 2.321 20 30 FEEDRO C[C@H](C[N@H+](C)Cc1ccccc1)Nc1ccc(S(N)(=O)=O)cc1C#N ZINC000775708340 681326294 /nfs/dbraw/zinc/32/62/94/681326294.db2.gz BFPKAFPQSVTMPX-CQSZACIVSA-N 1 0 358.467 2.138 20 30 FEEDRO C[NH+](C)CCOc1ccccc1CNC(=O)N[C@@H](CC#N)C(F)(F)F ZINC000932922358 681328925 /nfs/dbraw/zinc/32/89/25/681328925.db2.gz JXESJDLYXREKIX-AWEZNQCLSA-N 1 0 358.364 2.271 20 30 FEEDRO C[NH+](C)CCOc1cccc(CNC(=O)N[C@@H](CC#N)C(F)(F)F)c1 ZINC000932927710 681329553 /nfs/dbraw/zinc/32/95/53/681329553.db2.gz UPVBWMSTFKGGQK-AWEZNQCLSA-N 1 0 358.364 2.271 20 30 FEEDRO COC[C@@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932941932 681332098 /nfs/dbraw/zinc/33/20/98/681332098.db2.gz DVXWJWJSRBZIKB-BIIVOSGPSA-N 1 0 357.241 2.097 20 30 FEEDRO CC(=O)[C@](C)(O)C[NH+]1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932943949 681332545 /nfs/dbraw/zinc/33/25/45/681332545.db2.gz LOKDNWPKNRIRMH-XHNCKOQMSA-N 1 0 369.252 2.429 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)c2cnc(F)c(Br)c2)CC1 ZINC000847516011 681389330 /nfs/dbraw/zinc/38/93/30/681389330.db2.gz TVNUETKWIVAUHI-UHFFFAOYSA-N 1 0 354.223 2.201 20 30 FEEDRO COc1ccc(C[C@](C)(CO)[NH2+]CC(=O)Nc2sccc2C#N)cc1 ZINC000933428279 681410499 /nfs/dbraw/zinc/41/04/99/681410499.db2.gz LDFVKPUMSBTQPF-GOSISDBHSA-N 1 0 359.451 2.150 20 30 FEEDRO C[C@@](CO)(Cc1ccc(Cl)cc1)[NH2+]C[C@@H](O)CC1(C#N)CCOCC1 ZINC000933444987 681413920 /nfs/dbraw/zinc/41/39/20/681413920.db2.gz PHRCYIMJQQQJRW-ROUUACIJSA-N 1 0 366.889 2.294 20 30 FEEDRO CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)c1 ZINC000933463365 681416540 /nfs/dbraw/zinc/41/65/40/681416540.db2.gz FQKUACNRTYFFLP-HNNXBMFYSA-N 1 0 364.511 2.190 20 30 FEEDRO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)c1ccc2c(c1)CCO2 ZINC000933489171 681420196 /nfs/dbraw/zinc/42/01/96/681420196.db2.gz QFMGJIYUGFUBEO-CYBMUJFWSA-N 1 0 357.435 2.013 20 30 FEEDRO C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@H](C)[C@@H]1CCCN(C(=O)OCC)C1 ZINC000776755326 681433616 /nfs/dbraw/zinc/43/36/16/681433616.db2.gz NZBXCMNUDOTDEG-IXDOHACOSA-N 1 0 351.491 2.422 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(C(N)=O)C1 ZINC000933756120 681464288 /nfs/dbraw/zinc/46/42/88/681464288.db2.gz NTDLGISJYLLAEB-DOXZYTNZSA-N 1 0 361.511 2.239 20 30 FEEDRO CCOC(=O)C1([C@@H](C)[NH2+]CCCC2(C#N)CCOCC2)CCOCC1 ZINC000933884187 681479243 /nfs/dbraw/zinc/47/92/43/681479243.db2.gz OTDDNDDLIPFOEK-MRXNPFEDSA-N 1 0 352.475 2.425 20 30 FEEDRO C=CCN1C(=S)N=NC1c1sc(NC(=O)CC[NH2+]C2CC2)nc1C ZINC000848396146 681535090 /nfs/dbraw/zinc/53/50/90/681535090.db2.gz LUWPKTDHNHEUNF-UHFFFAOYSA-N 1 0 364.500 2.265 20 30 FEEDRO C=CCN1CC[C@H]([NH2+][C@](C)(CO)c2cccc(Br)c2)C1=O ZINC000934493721 681578103 /nfs/dbraw/zinc/57/81/03/681578103.db2.gz DDALQLTZJILPQT-GOEBONIOSA-N 1 0 353.260 2.033 20 30 FEEDRO CCN(CCC#N)C(=O)C[NH2+][C@](C)(CO)c1cccc(Br)c1 ZINC000934496900 681579507 /nfs/dbraw/zinc/57/95/07/681579507.db2.gz DLSUHAMUQYCOEQ-MRXNPFEDSA-N 1 0 368.275 2.008 20 30 FEEDRO C#CCOc1cccc(Cl)c1C[NH2+]C[C@H]1CCC[C@H]1NS(C)(=O)=O ZINC000778176289 681582719 /nfs/dbraw/zinc/58/27/19/681582719.db2.gz HVCAYRLCBFLXJV-CZUORRHYSA-N 1 0 370.902 2.160 20 30 FEEDRO C#CCOc1cccc(Cl)c1C[NH2+][C@H]1CCc2nc(COC)nn2C1 ZINC000778175936 681582779 /nfs/dbraw/zinc/58/27/79/681582779.db2.gz FSFKKMSVJGAOPL-ZDUSSCGKSA-N 1 0 360.845 2.195 20 30 FEEDRO C[NH+]=C(NCCN1CCOCC1)N[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000849105809 681653714 /nfs/dbraw/zinc/65/37/14/681653714.db2.gz CJYXBOQBXLJTIB-XJKSGUPXSA-N 1 0 371.312 2.347 20 30 FEEDRO C=C(C)CNC(=[NH2+])NC[C@@H](CO)Cc1ccc(F)c(Br)c1 ZINC000849117002 681658026 /nfs/dbraw/zinc/65/80/26/681658026.db2.gz PFFGGDSRGDWNCH-LBPRGKRZSA-N 1 0 358.255 2.429 20 30 FEEDRO C#CCSCCNC(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(OCC)cc1 ZINC000851656213 682102071 /nfs/dbraw/zinc/10/20/71/682102071.db2.gz GHWKQZTWIPLMHC-ROUUACIJSA-N 1 0 361.511 2.196 20 30 FEEDRO N#Cc1ccc(C[NH2+]CC2CC(NC(=O)[C@@H]3C[C@H]3c3c[nH]cn3)C2)s1 ZINC000961949673 682104950 /nfs/dbraw/zinc/10/49/50/682104950.db2.gz PZEUHSJRHKDRTC-DCNYZXSGSA-N 1 0 355.467 2.131 20 30 FEEDRO C=C(Cl)C[NH2+]C1CCC(N(C)C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)CC1 ZINC000963716133 682145423 /nfs/dbraw/zinc/14/54/23/682145423.db2.gz BAJAMQQVWVULQE-BFHKSVSOSA-N 1 0 356.894 2.150 20 30 FEEDRO C#C[C@@](C)(CC)[NH2+]CC(=O)NCCc1ccc(OC(F)F)c(OC)c1 ZINC000852098647 682219830 /nfs/dbraw/zinc/21/98/30/682219830.db2.gz RVEFZXCWAYLRDA-SFHVURJKSA-N 1 0 354.397 2.347 20 30 FEEDRO N#Cc1ccc(CC[N@H+]2CC[C@H]3CN(C(=O)C(F)(F)F)C[C@@H]3C2)cc1 ZINC000852134621 682225204 /nfs/dbraw/zinc/22/52/04/682225204.db2.gz FQANFFSXRAPNJP-HOTGVXAUSA-N 1 0 351.372 2.443 20 30 FEEDRO CCOP(=O)(OCC)[C@H](O)C[N@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000852210694 682239864 /nfs/dbraw/zinc/23/98/64/682239864.db2.gz JVTWVGUAWTXSMH-CVEARBPZSA-N 1 0 356.359 2.108 20 30 FEEDRO C=CCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F ZINC000968916430 682250450 /nfs/dbraw/zinc/25/04/50/682250450.db2.gz CHKZCFRQANQIAG-KFWWJZLASA-N 1 0 364.408 2.270 20 30 FEEDRO C[NH+]1C[C@@]2(C)CN(S(=O)(=O)c3ccc(C(C)(C)C#N)cc3)C[C@]2(C)C1 ZINC000918369214 685538881 /nfs/dbraw/zinc/53/88/81/685538881.db2.gz QWBUXLUAFZJECC-OALUTQOASA-N 1 0 361.511 2.450 20 30 FEEDRO C#C[C@@H](NC(=O)NCC1([NH+]2CCSCC2)CCCC1)C1CCOCC1 ZINC000852644264 682312745 /nfs/dbraw/zinc/31/27/45/682312745.db2.gz MHIQFEBSOXYLDJ-QGZVFWFLSA-N 1 0 365.543 2.076 20 30 FEEDRO C=CCN1C(=S)N=NC1c1sc(NC(=O)[C@H](CC)[NH2+]C)nc1C ZINC000852784165 682342539 /nfs/dbraw/zinc/34/25/39/682342539.db2.gz FBNZMCXLCFICSQ-VIFPVBQESA-N 1 0 352.489 2.121 20 30 FEEDRO COc1ccc(Br)cc1CN(C)C(=O)C#CC1CC[NH2+]CC1 ZINC000852802906 682344970 /nfs/dbraw/zinc/34/49/70/682344970.db2.gz WELSPFKJUFXPOG-UHFFFAOYSA-N 1 0 365.271 2.419 20 30 FEEDRO CCCS(=O)(=O)Nc1cccc(NC(=O)C#CC2CC[NH2+]CC2)c1C ZINC000852820664 682346744 /nfs/dbraw/zinc/34/67/44/682346744.db2.gz ZUSMZDBPMXJFOF-UHFFFAOYSA-N 1 0 363.483 2.088 20 30 FEEDRO S=C1N=NC([C@H]2CCCCO2)N1N=Cc1ccnn1-c1cc[nH+]cc1 ZINC000853312799 682404678 /nfs/dbraw/zinc/40/46/78/682404678.db2.gz HFSSXXWCNJWWTE-CQSZACIVSA-N 1 0 355.427 2.271 20 30 FEEDRO FC(F)(F)c1nc2n(c1C=NNC1=[NH+][C@H]3CCCC[C@@H]3N1)CCCC2 ZINC000853324583 682405689 /nfs/dbraw/zinc/40/56/89/682405689.db2.gz LEXHPLBJCPPMCL-QWRGUYRKSA-N 1 0 354.380 2.432 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@]2(C1)C[N@H+](CCC(C)(C)C)CCO2 ZINC000972560794 682421887 /nfs/dbraw/zinc/42/18/87/682421887.db2.gz GDUIEGVOBJSJSW-UWVAXJGDSA-N 1 0 350.503 2.317 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@]2(C1)C[N@H+](CC(C)C)CCO2 ZINC000972595204 682425295 /nfs/dbraw/zinc/42/52/95/682425295.db2.gz WHOBZYYWANTEAB-CMKODMSKSA-N 1 0 350.503 2.317 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@@]2(C1)C[N@H+](CCCC)CCO2 ZINC000972593494 682425317 /nfs/dbraw/zinc/42/53/17/682425317.db2.gz MYFJEOVFLWSKGW-BJLQDIEVSA-N 1 0 350.503 2.461 20 30 FEEDRO C#CCN(CC(=O)OC(C)(C)C)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000853750266 682463836 /nfs/dbraw/zinc/46/38/36/682463836.db2.gz NLGITJBIFMCIBK-HNNXBMFYSA-N 1 0 353.507 2.339 20 30 FEEDRO C#CC[C@@]1(C(=O)NCC[NH2+]C(C)(C)C)CCCN1C(=O)OC(C)(C)C ZINC000788308224 682519468 /nfs/dbraw/zinc/51/94/68/682519468.db2.gz WEQWQPCPNAKCOC-IBGZPJMESA-N 1 0 351.491 2.284 20 30 FEEDRO C=C[C@@H](O)C(=O)N(Cc1ccccc1Br)C1CC[NH+](C)CC1 ZINC000854502989 682559449 /nfs/dbraw/zinc/55/94/49/682559449.db2.gz CXUWLJOAFKYOBO-MRXNPFEDSA-N 1 0 367.287 2.419 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N(C)CC(C)(C)NC(=O)OC(C)(C)C)CC1 ZINC000855193197 682637015 /nfs/dbraw/zinc/63/70/15/682637015.db2.gz LJTAQXGBPJAVPR-UHFFFAOYSA-N 1 0 351.491 2.093 20 30 FEEDRO C[C@H](CCNC(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1)[NH+](C)C ZINC000855417389 682668013 /nfs/dbraw/zinc/66/80/13/682668013.db2.gz FTBNDABIIVUNEM-OAHLLOKOSA-N 1 0 351.491 2.093 20 30 FEEDRO C#CCN(CC(=O)N[C@@H](C)C[NH+]1CCC(C)CC1)C(=O)OC(C)(C)C ZINC000855903457 682723762 /nfs/dbraw/zinc/72/37/62/682723762.db2.gz PTMYEDMBRJTCAP-INIZCTEOSA-N 1 0 351.491 2.093 20 30 FEEDRO C=CCCCS(=O)(=O)N1CC[C@H](Oc2ccnc(C[N@@H+](C)CC)c2)C1 ZINC000856544466 682792595 /nfs/dbraw/zinc/79/25/95/682792595.db2.gz OVQYGLGPHBOOFX-SFHVURJKSA-N 1 0 367.515 2.282 20 30 FEEDRO CC(C)(C#N)C[C@@H](O)C[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000857235834 682867691 /nfs/dbraw/zinc/86/76/91/682867691.db2.gz BAYRDYBJMPQWNS-CQSZACIVSA-N 1 0 353.413 2.192 20 30 FEEDRO CC[NH+](CC)CC#C[C@@H](C)OC(=O)c1ccc(F)c(S(C)(=O)=O)c1 ZINC000793178498 682869585 /nfs/dbraw/zinc/86/95/85/682869585.db2.gz FQZWQYOGQLJVFG-CYBMUJFWSA-N 1 0 355.431 2.120 20 30 FEEDRO C[NH+](C)[C@@H]1CCc2ccccc2N(S(=O)(=O)c2cncc(C#N)c2)C1 ZINC000857902330 682924165 /nfs/dbraw/zinc/92/41/65/682924165.db2.gz RXQFPJPXMDIIMF-MRXNPFEDSA-N 1 0 356.451 2.025 20 30 FEEDRO C#CCN(C1CCCCC1)S(=O)(=O)c1c(C)nn(CC[NH+](C)C)c1C ZINC000795085336 683016030 /nfs/dbraw/zinc/01/60/30/683016030.db2.gz NIHBSHPWEJOLGY-UHFFFAOYSA-N 1 0 366.531 2.018 20 30 FEEDRO C=CCOCCC[NH2+][C@@H]1[C@@H]2COC[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C2 ZINC000926703626 683163767 /nfs/dbraw/zinc/16/37/67/683163767.db2.gz LZSXBOVUVNCUDZ-WNKDZCFJSA-N 1 0 354.491 2.487 20 30 FEEDRO C[C@H]1CN(c2cc[nH+]cc2)CCN1S(=O)(=O)Cc1csc(C#N)c1 ZINC000919967833 683310920 /nfs/dbraw/zinc/31/09/20/683310920.db2.gz LZDHUWLAARHFAF-ZDUSSCGKSA-N 1 0 362.480 2.055 20 30 FEEDRO C=CCN1CC[C@@H]([NH+]2CCC([C@H](C)NC(=O)OC(C)(C)C)CC2)C1=O ZINC000799121612 683424294 /nfs/dbraw/zinc/42/42/94/683424294.db2.gz HXMNNSXDCBTFMH-GOEBONIOSA-N 1 0 351.491 2.399 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ncc(Cl)cc2CC)CC1 ZINC000861759928 683467146 /nfs/dbraw/zinc/46/71/46/683467146.db2.gz RKKTWGNNEYRKFW-UHFFFAOYSA-N 1 0 350.850 2.003 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)[C@@H]2COc3ccc(Br)cc32)CC1 ZINC000928655570 683482260 /nfs/dbraw/zinc/48/22/60/683482260.db2.gz ZLAFPGKUOPGRML-OAHLLOKOSA-N 1 0 363.255 2.139 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)[C@H](C)Oc2cccc(Br)c2)CC1 ZINC000928656462 683482717 /nfs/dbraw/zinc/48/27/17/683482717.db2.gz VPGAOKLJIVNQAA-ZDUSSCGKSA-N 1 0 365.271 2.430 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)c2nc(C(F)(F)F)n3c2CCCC3)CC1 ZINC000928660034 683483669 /nfs/dbraw/zinc/48/36/69/683483669.db2.gz IVYFNJRRRINHCL-UHFFFAOYSA-N 1 0 354.376 2.066 20 30 FEEDRO C=CC1(CC(=O)NC[C@@H]2CCC[N@H+]2CC)CN(C(=O)OC(C)(C)C)C1 ZINC000929463607 683598813 /nfs/dbraw/zinc/59/88/13/683598813.db2.gz XZNUJBPFSJFXSV-HNNXBMFYSA-N 1 0 351.491 2.400 20 30 FEEDRO C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)Cc1ccc(C(F)F)cc1 ZINC000922022389 683638711 /nfs/dbraw/zinc/63/87/11/683638711.db2.gz LPLLVOBDAJNJFW-UHFFFAOYSA-N 1 0 356.438 2.483 20 30 FEEDRO C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000922023565 683639044 /nfs/dbraw/zinc/63/90/44/683639044.db2.gz VTHWNMIQAIZEJR-UHFFFAOYSA-N 1 0 366.430 2.485 20 30 FEEDRO C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)CC(C)(C)C(F)(F)CC ZINC000922024088 683639250 /nfs/dbraw/zinc/63/92/50/683639250.db2.gz GMPYXFQGOFHXGI-UHFFFAOYSA-N 1 0 350.475 2.417 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)NCc2nc3cccc(Cl)c3n2C)CC1 ZINC000922032548 683642841 /nfs/dbraw/zinc/64/28/41/683642841.db2.gz MICHIGFRPJPNFX-UHFFFAOYSA-N 1 0 359.861 2.124 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)NCc2nc3cc(Cl)ccc3n2C)CC1 ZINC000922074989 683653354 /nfs/dbraw/zinc/65/33/54/683653354.db2.gz DBLVKPYMCFVACM-UHFFFAOYSA-N 1 0 359.861 2.124 20 30 FEEDRO N#Cc1ccc(Br)c(C[NH2+]CCN2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000922163106 683671736 /nfs/dbraw/zinc/67/17/36/683671736.db2.gz KRGGRVGBEHRHRM-GASCZTMLSA-N 1 0 350.260 2.274 20 30 FEEDRO CNC(=O)[C@H](C[NH2+]Cc1csc(C#N)c1)Cc1ccc(OC)c(F)c1 ZINC000922207203 683679113 /nfs/dbraw/zinc/67/91/13/683679113.db2.gz IBYPOMQGBGWKIB-AWEZNQCLSA-N 1 0 361.442 2.462 20 30 FEEDRO Cc1cnn([C@H]2[C@H](NCc3cc(C#N)ccc3Br)C[C@@H]2O)c1 ZINC000922252939 683688231 /nfs/dbraw/zinc/68/82/31/683688231.db2.gz OKOJCUHVSHBGDL-PMPSAXMXSA-N 1 0 361.243 2.290 20 30 FEEDRO Cc1cc(NC(=O)NCc2nc(C#N)cs2)n(C2CC[NH+](C)CC2)n1 ZINC000930284418 683704957 /nfs/dbraw/zinc/70/49/57/683704957.db2.gz UJIYMBMOUAFSSK-UHFFFAOYSA-N 1 0 359.459 2.108 20 30 FEEDRO C=CCn1c(C)nn(CN2CCC(CC)([NH+]3CCOCC3)CC2)c1=S ZINC000863327556 683706500 /nfs/dbraw/zinc/70/65/00/683706500.db2.gz NQCHHMFLOQTIAD-UHFFFAOYSA-N 1 0 365.547 2.443 20 30 FEEDRO C=CCN1CC[C@H]([N@H+](C)C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)C1=O ZINC000930310508 683709317 /nfs/dbraw/zinc/70/93/17/683709317.db2.gz HCFCTEFJBCFCSK-PMPSAXMXSA-N 1 0 351.491 2.399 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC000930703453 683773284 /nfs/dbraw/zinc/77/32/84/683773284.db2.gz PAFSKMVWQOTQPG-UHFFFAOYSA-N 1 0 350.394 2.360 20 30 FEEDRO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C[NH+]1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC000930827523 683789879 /nfs/dbraw/zinc/78/98/79/683789879.db2.gz DRNSUWYQOFOWHB-QBPKDAKJSA-N 1 0 350.507 2.408 20 30 FEEDRO C=CCNc1ncc(C(=O)N2CCC([NH2+]C3CCOCC3)CC2)s1 ZINC000922850690 683792364 /nfs/dbraw/zinc/79/23/64/683792364.db2.gz UOKBQYLEIGJLHX-UHFFFAOYSA-N 1 0 350.488 2.114 20 30 FEEDRO C=CCOc1c(Cl)cc(C[NH2+]C[C@@H](O)c2ccnn2C)cc1OC ZINC000922970656 683813376 /nfs/dbraw/zinc/81/33/76/683813376.db2.gz QSNDKBOLRQBCDV-OAHLLOKOSA-N 1 0 351.834 2.470 20 30 FEEDRO C#CC1(O)CC[NH+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)CC1 ZINC000931143410 683840939 /nfs/dbraw/zinc/84/09/39/683840939.db2.gz ZBKONIJAJWBVOW-UHFFFAOYSA-N 1 0 357.479 2.287 20 30 FEEDRO C=C(Cl)C[C@H]1NC(=O)N(C[C@@H](C(CC)CC)[NH+]2CCOCC2)C1=O ZINC000865297878 683963088 /nfs/dbraw/zinc/96/30/88/683963088.db2.gz FKFXKXBQSBFTQU-CABCVRRESA-N 1 0 357.882 2.186 20 30 FEEDRO C=CCOc1c(Br)cc(C[NH2+]C[C@@H](O)[C@@H](C)O)cc1OCC ZINC000865741815 684021690 /nfs/dbraw/zinc/02/16/90/684021690.db2.gz SUDIRVBANHSZPU-BXUZGUMPSA-N 1 0 374.275 2.244 20 30 FEEDRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C2(C#N)CCSCC2)CC1 ZINC000931301659 684257926 /nfs/dbraw/zinc/25/79/26/684257926.db2.gz XVECLBVYGVURHQ-CALCHBBNSA-N 1 0 364.559 2.040 20 30 FEEDRO C[NH+](C)CC#CCNC(=O)Nc1ccc(NC(=O)CC(F)(F)F)cc1 ZINC000931307009 684258358 /nfs/dbraw/zinc/25/83/58/684258358.db2.gz NESUDLZIOXLMGC-UHFFFAOYSA-N 1 0 356.348 2.264 20 30 FEEDRO C=CC1(CC(=O)N2CCC[C@H]([NH+](C)C)C2)CN(C(=O)OC(C)(C)C)C1 ZINC000931693392 684331847 /nfs/dbraw/zinc/33/18/47/684331847.db2.gz WMCZXLQKKCNJOW-HNNXBMFYSA-N 1 0 351.491 2.352 20 30 FEEDRO COc1cc(C#N)ccc1S(=O)(=O)NC1CCC(C)([NH+](C)C)CC1 ZINC000867743415 684370298 /nfs/dbraw/zinc/37/02/98/684370298.db2.gz PTQIQNVLOCGJMW-UHFFFAOYSA-N 1 0 351.472 2.108 20 30 FEEDRO C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H]2C[N@@H+](C)C[C@H]21 ZINC000868521120 684505664 /nfs/dbraw/zinc/50/56/64/684505664.db2.gz QEOLRYKUYKZTLB-HZSPNIEDSA-N 1 0 357.882 2.185 20 30 FEEDRO C=C(Cl)C[C@@H](NC(=O)CC1([NH+]2CCOCC2)CCCC1)C(=O)OCC ZINC000870031356 684677639 /nfs/dbraw/zinc/67/76/39/684677639.db2.gz OFBMDLINMBAQRU-OAHLLOKOSA-N 1 0 372.893 2.212 20 30 FEEDRO C=C(Cl)C[C@@H](N)c1nc(-c2ccc(N3CC[NH+](CC)CC3)nc2)no1 ZINC000872177353 684924597 /nfs/dbraw/zinc/92/45/97/684924597.db2.gz HVLPRVHFPFKULX-CQSZACIVSA-N 1 0 362.865 2.416 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+]C[C@@H]2CC=CC[C@H]2C(F)(F)F)nc1 ZINC000872231892 684929976 /nfs/dbraw/zinc/92/99/76/684929976.db2.gz TULPLLXKUNKCAB-UONOGXRCSA-N 1 0 373.400 2.461 20 30 FEEDRO N#Cc1ccc(OC[C@@H](O)C[NH2+]C[C@@H](O)Cc2cccc(Cl)c2)cc1 ZINC000872246751 684931827 /nfs/dbraw/zinc/93/18/27/684931827.db2.gz FPQTVEVECWVBQO-ROUUACIJSA-N 1 0 360.841 2.145 20 30 FEEDRO CC(C)(C)OC(=O)[C@H]1C[C@H]([NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000872248284 684932088 /nfs/dbraw/zinc/93/20/88/684932088.db2.gz RKTIAWRNIOLBEE-SHTZXODSSA-N 1 0 364.467 2.042 20 30 FEEDRO N#Cc1ccccc1OC[C@@H](O)C[NH2+]C[C@@H](O)Cc1cccc(Cl)c1 ZINC000872248497 684932095 /nfs/dbraw/zinc/93/20/95/684932095.db2.gz WAEZGUBMURVKEV-ROUUACIJSA-N 1 0 360.841 2.145 20 30 FEEDRO C[NH+]1CCC(C=NN2C(=O)c3ccc(Br)cc3C2=O)CC1 ZINC000872388169 684942589 /nfs/dbraw/zinc/94/25/89/684942589.db2.gz YOXVIDSCWJAVFO-UHFFFAOYSA-N 1 0 350.216 2.373 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000876631993 686233141 /nfs/dbraw/zinc/23/31/41/686233141.db2.gz PCKWMDOGQWAJFB-KGLIPLIRSA-N 1 0 354.813 2.018 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NCC(=O)Nc1cc(Br)ccc1C ZINC000876634005 686233910 /nfs/dbraw/zinc/23/39/10/686233910.db2.gz IZXXUWKSASAYHQ-NSHDSACASA-N 1 0 374.666 2.282 20 30 FEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC(C(=O)Nc2cccc(F)c2)CC1 ZINC000876638826 686234853 /nfs/dbraw/zinc/23/48/53/686234853.db2.gz OWLMXXBXJBUQRP-OAHLLOKOSA-N 1 0 353.825 2.473 20 30 FEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)NCc1ccc(C)cc1OC[C@H]1CCOC1 ZINC000876693493 686244993 /nfs/dbraw/zinc/24/49/93/686244993.db2.gz WISLUPKXNHTTKI-GOEBONIOSA-N 1 0 352.862 2.496 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000876728452 686254895 /nfs/dbraw/zinc/25/48/95/686254895.db2.gz MHRFCXMVJBMNRM-AAEUAGOBSA-N 1 0 371.268 2.382 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)Nc1ccc(I)c(C)n1 ZINC000876854497 686282192 /nfs/dbraw/zinc/28/21/92/686282192.db2.gz HXGZBFGXAWDMFS-VIFPVBQESA-N 1 0 365.602 2.403 20 30 FEEDRO C=CCS(=O)(=O)CC[NH2+]Cc1ccc(I)s1 ZINC000877195599 686338741 /nfs/dbraw/zinc/33/87/41/686338741.db2.gz JWTMBWNAONSBGI-UHFFFAOYSA-N 1 0 371.265 2.043 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NC1(c2cccc(OC)c2F)CCOCC1 ZINC000877236061 686342612 /nfs/dbraw/zinc/34/26/12/686342612.db2.gz VLPYKPHBKQIIOH-ZDUSSCGKSA-N 1 0 356.825 2.426 20 30 FEEDRO C=CCOc1ccc(C(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)cc1OC ZINC000877367519 686365945 /nfs/dbraw/zinc/36/59/45/686365945.db2.gz DJPGCFOSGHFVDT-CHWSQXEVSA-N 1 0 358.360 2.469 20 30 FEEDRO N#Cc1cnc(Cl)c(CNCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)c1 ZINC000877625216 686424901 /nfs/dbraw/zinc/42/49/01/686424901.db2.gz WXTPQNACZROAIW-SFHVURJKSA-N 1 0 356.857 2.463 20 30 FEEDRO CN(CCC#N)C(=O)CC[NH2+][C@@H]1C[C@H](NC(=O)OC(C)(C)C)C1(C)C ZINC000878826529 686669403 /nfs/dbraw/zinc/66/94/03/686669403.db2.gz UZSRRKIDNLMOHT-KGLIPLIRSA-N 1 0 352.479 2.030 20 30 FEEDRO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879576983 686861656 /nfs/dbraw/zinc/86/16/56/686861656.db2.gz ZFHWMNLAXOVHKF-DVOMOZLQSA-N 1 0 358.511 2.461 20 30 FEEDRO CCOP(=O)(OCC)[C@@H](O)C[NH+]1CCN(c2ccc(C#N)cc2)CC1 ZINC000879586514 686864256 /nfs/dbraw/zinc/86/42/56/686864256.db2.gz FNHAKYAECCMBDP-QGZVFWFLSA-N 1 0 367.386 2.265 20 30 FEEDRO C=CCSc1ccccc1NC(=O)CN1C[C@@H]2CCC[N@H+]2C[C@@H]1CO ZINC000880070872 686993554 /nfs/dbraw/zinc/99/35/54/686993554.db2.gz NDAKZOBYMUECOA-JKSUJKDBSA-N 1 0 361.511 2.044 20 30 FEEDRO CCOC(=O)[C@@H]1C[N@H+](C[C@@H](O)c2ccc(C#N)cc2)C[C@H]1C(F)(F)F ZINC000880156392 687007727 /nfs/dbraw/zinc/00/77/27/687007727.db2.gz FVQQYDNEDPHNJK-RBSFLKMASA-N 1 0 356.344 2.265 20 30 FEEDRO O=C1c2ccccc2C(=O)N1CC#CC[N@@H+]1CC[C@H](c2nccs2)C1 ZINC000880323924 687035485 /nfs/dbraw/zinc/03/54/85/687035485.db2.gz WYVQUOZGIOUMJQ-AWEZNQCLSA-N 1 0 351.431 2.232 20 30 FEEDRO C=CCC[C@H]([NH2+]CCS(=O)(=O)NCc1ccccc1)[C@H]1CCCO1 ZINC000883178014 687582968 /nfs/dbraw/zinc/58/29/68/687582968.db2.gz NMRJIXOBRGHZOX-ZWKOTPCHSA-N 1 0 352.500 2.209 20 30 FEEDRO C=CCC[C@H](COc1ccccc1)[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000883207768 687587698 /nfs/dbraw/zinc/58/76/98/687587698.db2.gz SJOOYBJWJRDZTA-DLBZAZTESA-N 1 0 352.500 2.271 20 30 FEEDRO C#CC1([NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)CCCC1 ZINC000883361707 687614587 /nfs/dbraw/zinc/61/45/87/687614587.db2.gz JOSMPSHEVQFUKT-UHFFFAOYSA-N 1 0 357.273 2.132 20 30 FEEDRO C[C@H](c1ccsc1)N1CCN(C(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)CC1 ZINC000884320948 687847648 /nfs/dbraw/zinc/84/76/48/687847648.db2.gz BGJSBNHCLFKLHO-HCMQPCSISA-N 1 0 358.511 2.093 20 30 FEEDRO N#Cc1cc(S(=O)(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)ccc1C(F)(F)F ZINC000884957417 687975136 /nfs/dbraw/zinc/97/51/36/687975136.db2.gz PXNFSOQLJDTRKR-STQMWFEESA-N 1 0 373.400 2.482 20 30 FEEDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2S(=O)(=O)Cc1ccc(C#N)cc1F ZINC000885456522 688077342 /nfs/dbraw/zinc/07/73/42/688077342.db2.gz AEPRAUXFEHEGRR-CVEARBPZSA-N 1 0 351.447 2.086 20 30 FEEDRO N#CC1(C[C@@H](O)C[NH+]2CCN(c3ncnc4sccc43)CC2)CCC1 ZINC000886049629 688197430 /nfs/dbraw/zinc/19/74/30/688197430.db2.gz QENWUZZMGQQSTL-CQSZACIVSA-N 1 0 357.483 2.258 20 30 FEEDRO C#CC[N@@H+](CC1(C(=O)OC)CC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000886426134 688253455 /nfs/dbraw/zinc/25/34/55/688253455.db2.gz JMWMBTQEDGBOME-UHFFFAOYSA-N 1 0 350.459 2.274 20 30 FEEDRO C#CCN(C(=O)c1cc(O)cc(Br)c1)C1CC[NH+](C)CC1 ZINC000886573651 688278214 /nfs/dbraw/zinc/27/82/14/688278214.db2.gz QFGCDVLXIWMFEJ-UHFFFAOYSA-N 1 0 351.244 2.324 20 30 FEEDRO C#CCN(C(=O)[C@H](C)N(CC)C(=O)OC(C)(C)C)C1CC[NH+](C)CC1 ZINC000886573235 688278419 /nfs/dbraw/zinc/27/84/19/688278419.db2.gz BCLCSHIMMNCTML-HNNXBMFYSA-N 1 0 351.491 2.188 20 30 FEEDRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)Nc1nc(Cl)c(C#N)s1 ZINC000888412555 688607001 /nfs/dbraw/zinc/60/70/01/688607001.db2.gz NCRZAVJNDBWGAM-SNVBAGLBSA-N 1 0 357.867 2.243 20 30 FEEDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)Nc1nc(Cl)c(C#N)s1 ZINC000888420867 688609361 /nfs/dbraw/zinc/60/93/61/688609361.db2.gz PTCJOXKYIVFUFC-SNVBAGLBSA-N 1 0 369.878 2.385 20 30 FEEDRO C=C(Br)CNC(=O)N1CC[NH2+]C[C@@H]1c1ccc(OC)cc1 ZINC000891444190 689063126 /nfs/dbraw/zinc/06/31/26/689063126.db2.gz FWGGFOOIZQVYKN-CQSZACIVSA-N 1 0 354.248 2.260 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCOC[C@@H]2C[C@H]2CCCO2)CC1 ZINC000892850302 689252866 /nfs/dbraw/zinc/25/28/66/689252866.db2.gz GKMGNKFKHDGXAP-ZWKOTPCHSA-N 1 0 351.491 2.006 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2cc(C(F)(F)F)n(C)n2)CC1 ZINC000892851737 689253538 /nfs/dbraw/zinc/25/35/38/689253538.db2.gz POQYSNJZBNRJBY-UHFFFAOYSA-N 1 0 359.396 2.279 20 30 FEEDRO CN(CCc1cccc(C#N)c1)C(=O)N1CCc2sc(C[NH3+])nc2C1 ZINC000892878280 689258316 /nfs/dbraw/zinc/25/83/16/689258316.db2.gz OPWMGNZTMNQJOR-UHFFFAOYSA-N 1 0 355.467 2.126 20 30 FEEDRO C=CCS(=O)(=O)CC[NH2+]CC1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000894435770 689531627 /nfs/dbraw/zinc/53/16/27/689531627.db2.gz BAJWAOOKJUEUPJ-MQVJKMGUSA-N 1 0 372.531 2.355 20 30 FEEDRO C#CCN(C)CCC[NH2+]Cc1ccc(Br)cc1NC(C)=O ZINC000894639655 689571955 /nfs/dbraw/zinc/57/19/55/689571955.db2.gz QKFJNZOWUDMIHH-UHFFFAOYSA-N 1 0 352.276 2.452 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]C1CCN(CCNC(=O)OC(C)(C)C)CC1 ZINC000894738485 689586128 /nfs/dbraw/zinc/58/61/28/689586128.db2.gz QZDQJAPTRFUTPF-SJORKVTESA-N 1 0 353.507 2.299 20 30 FEEDRO C#CCC1([NH2+]Cc2sc(N3CCOCC3)nc2Cl)CCOCC1 ZINC000895894413 689789695 /nfs/dbraw/zinc/78/96/95/689789695.db2.gz KYABUZTYIMXBKT-UHFFFAOYSA-N 1 0 355.891 2.295 20 30 FEEDRO N#Cc1cnc(Cl)c(C[NH2+][C@@H]2CCN(c3cn[nH]c(=O)c3Cl)C2)c1 ZINC000898369386 690168737 /nfs/dbraw/zinc/16/87/37/690168737.db2.gz WUACTYDBFYTAMT-LLVKDONJSA-N 1 0 365.224 2.124 20 30 FEEDRO C[C@@H](NC(=O)c1c(Cl)cc(C#N)cc1Cl)[C@@H]1C[N@H+](C)CCN1C ZINC000900801172 690564111 /nfs/dbraw/zinc/56/41/11/690564111.db2.gz BJENEGDEFYUZII-YGRLFVJLSA-N 1 0 355.269 2.229 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)N[C@](C)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000900959212 690593906 /nfs/dbraw/zinc/59/39/06/690593906.db2.gz PFBAZQYWLQQADR-INIZCTEOSA-N 1 0 357.376 2.030 20 30 FEEDRO N#Cc1ccccc1C(F)(F)C(=O)NCCCC[N@H+]1CCC[C@H]1CO ZINC000901139260 690617615 /nfs/dbraw/zinc/61/76/15/690617615.db2.gz PIJDZXJUDRCIQB-HNNXBMFYSA-N 1 0 351.397 2.003 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)NCc2ccc(OC(F)(F)F)cc2)CC1 ZINC000902938388 690822576 /nfs/dbraw/zinc/82/25/76/690822576.db2.gz BXUSWAZZIMUWBD-UHFFFAOYSA-N 1 0 355.360 2.482 20 30 FEEDRO C[C@@H]([NH2+]Cc1ccc(N2CCCS2(=O)=O)cc1)c1cc(C#N)ccn1 ZINC000902953749 690823667 /nfs/dbraw/zinc/82/36/67/690823667.db2.gz JIQXPPPSTYEORL-CQSZACIVSA-N 1 0 356.451 2.344 20 30 FEEDRO C[C@@H](NCC(C)(C)C#N)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000903100186 690843944 /nfs/dbraw/zinc/84/39/44/690843944.db2.gz JJOGTZNYWDEUDQ-OAHLLOKOSA-N 1 0 366.531 2.117 20 30 FEEDRO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1COCC[C@@H]1[NH2+]Cc1nc(C#N)cs1 ZINC000903262688 690876497 /nfs/dbraw/zinc/87/64/97/690876497.db2.gz GRVUZKMSIBGKNO-UBHSHLNASA-N 1 0 366.487 2.423 20 30 FEEDRO N#Cc1sc2ccccc2c1S(=O)(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000903518368 690908307 /nfs/dbraw/zinc/90/83/07/690908307.db2.gz ZZOTVKHNJISYBN-JTQLQIEISA-N 1 0 371.434 2.296 20 30 FEEDRO C[C@@H]1C[NH2+]C[C@H]1CCNS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000903548762 690921427 /nfs/dbraw/zinc/92/14/27/690921427.db2.gz ZHVAUPCBMKPNAX-GHMZBOCLSA-N 1 0 361.389 2.101 20 30 FEEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903715351 690966483 /nfs/dbraw/zinc/96/64/83/690966483.db2.gz HECNDISGZCHZIQ-CHWSQXEVSA-N 1 0 369.918 2.359 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)N1CC[C@@H](Oc2cncc(Br)c2)C1 ZINC000908331861 691660891 /nfs/dbraw/zinc/66/08/91/691660891.db2.gz GHUJSJDZRWEAQY-CQSZACIVSA-N 1 0 368.275 2.332 20 30 FEEDRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nccc3ccc(C#N)cc31)CC2 ZINC001164685189 719713521 /nfs/dbraw/zinc/71/35/21/719713521.db2.gz RXXYBHUUQQKJCC-UHFFFAOYSA-N 1 0 363.465 2.287 20 30 FEEDRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncnc(Cl)c1C#N)C2 ZINC001164807943 720087710 /nfs/dbraw/zinc/08/77/10/720087710.db2.gz GPUSQBUDROKSNE-KDOFPFPSSA-N 1 0 361.877 2.186 20 30 FEEDRO Cc1ccc(CC#N)c(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)n1 ZINC001164736906 720585365 /nfs/dbraw/zinc/58/53/65/720585365.db2.gz VPABSYOUXYBLOE-UHFFFAOYSA-N 1 0 350.470 2.311 20 30 FEEDRO COCC[N@@H+]1CCO[C@@H]2CN(c3nccc4ccc(C#N)cc43)CC[C@H]2C1 ZINC001164850130 720849719 /nfs/dbraw/zinc/84/97/19/720849719.db2.gz DMNDERRXXJBIEQ-AZUAARDMSA-N 1 0 366.465 2.280 20 30 FEEDRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4[nH]ccc5ncc(C#N)c4-5)C[C@@H]3C2)cn1 ZINC001164773336 721182166 /nfs/dbraw/zinc/18/21/66/721182166.db2.gz WHTHXEVHRNFIEB-RDJZCZTQSA-N 1 0 361.453 2.126 20 30 FEEDRO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2C(F)(F)c1ccnc(Cl)c1C#N ZINC001164928562 721851143 /nfs/dbraw/zinc/85/11/43/721851143.db2.gz OLOPKZZCCDPZAA-GJZGRUSLSA-N 1 0 369.847 2.366 20 30 FEEDRO N#Cc1cc(F)cnc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164981562 722105112 /nfs/dbraw/zinc/10/51/12/722105112.db2.gz LSIOBGVRRSOFAP-QFBILLFUSA-N 1 0 367.428 2.215 20 30 FEEDRO Cc1nc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)ccc1C#N ZINC001164973145 722129718 /nfs/dbraw/zinc/12/97/18/722129718.db2.gz BARRXMNAXZPOGE-UXHICEINSA-N 1 0 363.465 2.384 20 30 FEEDRO C[NH+](C)CCOCc1ncn2c1CN(c1ccc(Cl)c(C#N)n1)CCC2 ZINC001164999901 722251204 /nfs/dbraw/zinc/25/12/04/722251204.db2.gz IPXVOWOJAXBNCQ-UHFFFAOYSA-N 1 0 374.876 2.292 20 30 FEEDRO C[NH+](C)CCOCc1ncn2c1CN(c1cc(Cl)cc(C#N)n1)CCC2 ZINC001165000601 722252629 /nfs/dbraw/zinc/25/26/29/722252629.db2.gz TXBVXLQBBCIGID-UHFFFAOYSA-N 1 0 374.876 2.292 20 30 FEEDRO C[C@@H](NC(=O)CNc1ccc(C#N)cn1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000490834400 889566343 /nfs/dbraw/zinc/56/63/43/889566343.db2.gz MLSRXPMRKGVGKW-VQIMIIECSA-N 1 0 363.465 2.392 20 30 FEEDRO C[C@@H]1CCC[N@@H+]1CCNS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000800121606 674020985 /nfs/dbraw/zinc/02/09/85/674020985.db2.gz CGNIOKJTVCNWTM-LLVKDONJSA-N 1 0 361.389 2.340 20 30 FEEDRO Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000032664449 539947010 /nfs/dbraw/zinc/94/70/10/539947010.db2.gz UXVILBBZGKLKAY-AWEZNQCLSA-N 1 0 368.485 2.141 20 30 FEEDRO CC(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)CC1 ZINC000041277833 540015776 /nfs/dbraw/zinc/01/57/76/540015776.db2.gz NNJTYHKAMQBJBD-UHFFFAOYSA-N 1 0 362.861 2.387 20 30 FEEDRO CC(C)[C@@H](CNC(=O)C(=O)Nc1cccc(C#N)c1)[NH+]1CCC(C)CC1 ZINC000041593427 540026074 /nfs/dbraw/zinc/02/60/74/540026074.db2.gz JTRWRCCVDCDLJE-GOSISDBHSA-N 1 0 356.470 2.369 20 30 FEEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)NCCCn3ccnc3)CC2)cc1 ZINC000042898206 540082622 /nfs/dbraw/zinc/08/26/22/540082622.db2.gz QIBPNDMIYQLTIP-UHFFFAOYSA-N 1 0 366.469 2.062 20 30 FEEDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1scc(C(C)(C)C)c1C#N ZINC000550420589 674094535 /nfs/dbraw/zinc/09/45/35/674094535.db2.gz XDALMKVULRXROX-GFCCVEGCSA-N 1 0 362.499 2.456 20 30 FEEDRO CC[NH+](CC)CCCNC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000045550298 540216530 /nfs/dbraw/zinc/21/65/30/540216530.db2.gz FWLWWNSDRUVQSO-UHFFFAOYSA-N 1 0 357.502 2.117 20 30 FEEDRO C[N@H+](CCC(=O)N1CCN(c2ccccn2)CC1)Cc1ccc(C#N)cc1 ZINC000046530476 540261082 /nfs/dbraw/zinc/26/10/82/540261082.db2.gz YAJOFYZZQIEOSS-UHFFFAOYSA-N 1 0 363.465 2.124 20 30 FEEDRO COC(=O)c1ccc(OC[C@H](O)C[N@H+](C)Cc2ccc(C#N)cc2)cc1 ZINC000046528714 540261142 /nfs/dbraw/zinc/26/11/42/540261142.db2.gz OHEGOMGOEQYTTL-GOSISDBHSA-N 1 0 354.406 2.217 20 30 FEEDRO CC[NH+](CC)[C@H](CNC(=O)C(=O)Nc1cc(C#N)ccc1OC)CC(C)C ZINC000050150734 540401331 /nfs/dbraw/zinc/40/13/31/540401331.db2.gz OCWOUVNXKSWLEJ-INIZCTEOSA-N 1 0 374.485 2.378 20 30 FEEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000054281540 540580167 /nfs/dbraw/zinc/58/01/67/540580167.db2.gz PSSMXABDKWVMAA-UHFFFAOYSA-N 1 0 366.465 2.044 20 30 FEEDRO CC#CC(=O)NC1CC[NH+](CCOc2ccc(Br)cc2)CC1 ZINC000801159572 674105615 /nfs/dbraw/zinc/10/56/15/674105615.db2.gz QZIQOXFIDZISBQ-UHFFFAOYSA-N 1 0 365.271 2.432 20 30 FEEDRO C=CCOc1ccccc1C(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000057066488 540766198 /nfs/dbraw/zinc/76/61/98/540766198.db2.gz YOTRLSBWGJBKTR-UHFFFAOYSA-N 1 0 357.498 2.351 20 30 FEEDRO COC1CC[NH+](C(C)(C)CNC(=O)Nc2cc(C)n(CCC#N)n2)CC1 ZINC000538618290 540873401 /nfs/dbraw/zinc/87/34/01/540873401.db2.gz ACPSFYRMPJZOHU-UHFFFAOYSA-N 1 0 362.478 2.116 20 30 FEEDRO CCN/C(=[NH+]\CC)SCc1nnnn1-c1ccc(OC(F)F)cc1 ZINC000060511425 541115486 /nfs/dbraw/zinc/11/54/86/541115486.db2.gz OWBYFNDCSZFBIB-UHFFFAOYSA-N 1 0 356.402 2.482 20 30 FEEDRO CSc1nc(C)c(CCC(=O)N(CCC#N)CCC[NH+](C)C)c(C)n1 ZINC000064361593 541202914 /nfs/dbraw/zinc/20/29/14/541202914.db2.gz WDCRMIFBDGABGO-UHFFFAOYSA-N 1 0 363.531 2.442 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)CCc1nnc(-c2ccccc2)o1 ZINC000064361507 541203254 /nfs/dbraw/zinc/20/32/54/541203254.db2.gz VYROFQXYDGHDSA-UHFFFAOYSA-N 1 0 355.442 2.363 20 30 FEEDRO Cc1cc(C(=O)NC2CC[NH+](CCOc3cccc(C#N)c3)CC2)no1 ZINC000065953998 541273904 /nfs/dbraw/zinc/27/39/04/541273904.db2.gz JYIPLNHNANEKOI-UHFFFAOYSA-N 1 0 354.410 2.128 20 30 FEEDRO CCC[NH+]1CCC(CNC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)CC1 ZINC000066241422 541294460 /nfs/dbraw/zinc/29/44/60/541294460.db2.gz WCIAGZNTKGQNDA-UHFFFAOYSA-N 1 0 366.469 2.178 20 30 FEEDRO CC(C)[NH+]1CCC(NC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CC1 ZINC000067090791 541417012 /nfs/dbraw/zinc/41/70/12/541417012.db2.gz ILXQWEZGGIZLJN-UHFFFAOYSA-N 1 0 370.501 2.094 20 30 FEEDRO C[C@H]1CN(C2CC[NH+](CCC(=O)Nc3ccccc3C#N)CC2)CCO1 ZINC000067400141 541458549 /nfs/dbraw/zinc/45/85/49/541458549.db2.gz CTQUXSYFDLPUOT-INIZCTEOSA-N 1 0 356.470 2.072 20 30 FEEDRO N#Cc1cccnc1N1CCC[N@@H+](C[C@H](O)COCc2ccccc2)CC1 ZINC000067460053 541467307 /nfs/dbraw/zinc/46/73/07/541467307.db2.gz YIJKMRVPXMFOPH-FQEVSTJZSA-N 1 0 366.465 2.043 20 30 FEEDRO C[C@H]1C[C@H](NC(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CC[N@@H+]1C ZINC000542960254 541509298 /nfs/dbraw/zinc/50/92/98/541509298.db2.gz VPSHLDPLGSQGSM-GXTWGEPZSA-N 1 0 356.405 2.487 20 30 FEEDRO N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CCCN(c3nccs3)CC2)cc1 ZINC000068301848 541573949 /nfs/dbraw/zinc/57/39/49/541573949.db2.gz CDDYARPSYPGYDW-KRWDZBQOSA-N 1 0 372.494 2.161 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)CC1 ZINC000068531076 541604167 /nfs/dbraw/zinc/60/41/67/541604167.db2.gz NXTHRMMOKWAUTM-GOSISDBHSA-N 1 0 368.456 2.128 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)CC1 ZINC000068531079 541604465 /nfs/dbraw/zinc/60/44/65/541604465.db2.gz NXTHRMMOKWAUTM-SFHVURJKSA-N 1 0 368.456 2.128 20 30 FEEDRO C[NH+](C)CCCOc1ccc(CNS(=O)(=O)CCCCC#N)cc1 ZINC000068914056 541639926 /nfs/dbraw/zinc/63/99/26/541639926.db2.gz GPLMCIJDBWWCHJ-UHFFFAOYSA-N 1 0 353.488 2.130 20 30 FEEDRO C[C@@H](NC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1)c1ccc(C#N)cc1 ZINC000069930978 541724620 /nfs/dbraw/zinc/72/46/20/541724620.db2.gz USFDTTYWDTXPFV-AEFFLSMTSA-N 1 0 356.470 2.373 20 30 FEEDRO CC(C)[NH+](CCCNC(=O)N1CCN(c2cc(C#N)ccn2)CC1)C(C)C ZINC000072517444 541824959 /nfs/dbraw/zinc/82/49/59/541824959.db2.gz CZFOBHKEKXIBFJ-UHFFFAOYSA-N 1 0 372.517 2.294 20 30 FEEDRO COc1cccc(NC(=O)CC[NH+]2CCN(c3cc(C#N)ccn3)CC2)c1 ZINC000072559242 541831818 /nfs/dbraw/zinc/83/18/18/541831818.db2.gz LLLPQMRDZZQLJP-UHFFFAOYSA-N 1 0 365.437 2.113 20 30 FEEDRO C=CCSc1ccccc1NC(=O)CN1CC[NH+]([C@H](CC)CO)CC1 ZINC000072798324 541867438 /nfs/dbraw/zinc/86/74/38/541867438.db2.gz OOSQOKXTZYVMMW-MRXNPFEDSA-N 1 0 363.527 2.292 20 30 FEEDRO Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000545198166 541900673 /nfs/dbraw/zinc/90/06/73/541900673.db2.gz YHWZUFUBIYPPMB-AWEZNQCLSA-N 1 0 367.457 2.301 20 30 FEEDRO CC[NH+](CC)CCSCC(=O)N1CCN(c2ccccc2C#N)CC1 ZINC000073243681 541934439 /nfs/dbraw/zinc/93/44/39/541934439.db2.gz PLKQUIJZLDSASZ-UHFFFAOYSA-N 1 0 360.527 2.282 20 30 FEEDRO C=CCc1ccccc1OC[C@H](O)C[NH+]1CCC(C(=O)N2CCCC2)CC1 ZINC000073507239 541960070 /nfs/dbraw/zinc/96/00/70/541960070.db2.gz VJTCLTAXXXTTDW-HXUWFJFHSA-N 1 0 372.509 2.489 20 30 FEEDRO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+](C)C[C@H](O)COCc1ccccc1 ZINC000074289690 542065768 /nfs/dbraw/zinc/06/57/68/542065768.db2.gz LQRNOFYXZSOBCE-MJGOQNOKSA-N 1 0 373.497 2.227 20 30 FEEDRO N#Cc1ccc(-c2nnc(CN3CCC[C@H](C[NH+]4CCOCC4)C3)o2)cc1 ZINC000075739169 542201783 /nfs/dbraw/zinc/20/17/83/542201783.db2.gz AWWPDQFJXDYNTG-QGZVFWFLSA-N 1 0 367.453 2.152 20 30 FEEDRO C=CCCC[N@@H+](C)CC(=O)N1CCN(Cc2ccc3c(c2)CCO3)CC1 ZINC000076736450 542319484 /nfs/dbraw/zinc/31/94/84/542319484.db2.gz HUEQYXUZMPZVFK-UHFFFAOYSA-N 1 0 357.498 2.164 20 30 FEEDRO CN1CC[NH+](C[C@H]2CCCN(C(=O)/C=C/c3ccccc3C#N)C2)CC1 ZINC000077452800 542384234 /nfs/dbraw/zinc/38/42/34/542384234.db2.gz LERWITFSEXMXBD-GFOMBABLSA-N 1 0 352.482 2.057 20 30 FEEDRO N#Cc1cc(NC(=O)NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)ccc1F ZINC000077497905 542389377 /nfs/dbraw/zinc/38/93/77/542389377.db2.gz NYLIUDVAOMHBKI-GOSISDBHSA-N 1 0 368.412 2.238 20 30 FEEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000077817126 542423742 /nfs/dbraw/zinc/42/37/42/542423742.db2.gz WXMWNWDETDSABS-UONOGXRCSA-N 1 0 360.483 2.087 20 30 FEEDRO CC(C)[C@@H](C#N)N1CCN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000078451661 542462537 /nfs/dbraw/zinc/46/25/37/542462537.db2.gz WIIIVDCEZCLQRL-WOJBJXKFSA-N 1 0 354.498 2.343 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@H]1CCCn2c(C)nnc21)C(C)C ZINC000080077619 542563236 /nfs/dbraw/zinc/56/32/36/542563236.db2.gz FEZKQODXFWXXKO-DLBZAZTESA-N 1 0 360.506 2.419 20 30 FEEDRO N#Cc1c2c(sc1NC(=O)CC[NH+]1CCC(c3nnc[nH]3)CC1)CCC2 ZINC000083443377 542697551 /nfs/dbraw/zinc/69/75/51/542697551.db2.gz LJEJCLKGONTDGN-UHFFFAOYSA-N 1 0 370.482 2.435 20 30 FEEDRO CCOc1ccc(C#N)cc1NC(=O)N1CCC[C@H]1C[N@@H+]1CCC[C@@H]1CO ZINC000085576581 542730786 /nfs/dbraw/zinc/73/07/86/542730786.db2.gz AGBAAJIVODOZSQ-DLBZAZTESA-N 1 0 372.469 2.410 20 30 FEEDRO Cc1nc(C(=O)NC2CC[NH+](CC3(O)CCCCC3)CC2)ccc1C#N ZINC000089344638 542761144 /nfs/dbraw/zinc/76/11/44/542761144.db2.gz VBKYZIWVXJBMPP-UHFFFAOYSA-N 1 0 356.470 2.151 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2cc3cccc(OC)c3o2)c1C#N ZINC000089661911 542768211 /nfs/dbraw/zinc/76/82/11/542768211.db2.gz DZKLCRCVHJVJKV-UHFFFAOYSA-N 1 0 353.382 2.440 20 30 FEEDRO C=CCNC(=O)c1ccc(NC[C@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)nc1 ZINC000089644440 542767639 /nfs/dbraw/zinc/76/76/39/542767639.db2.gz KDGYSLQFSOIUBP-RTBURBONSA-N 1 0 366.465 2.045 20 30 FEEDRO N#Cc1cccc(S(=O)(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)c1 ZINC000103163851 543095711 /nfs/dbraw/zinc/09/57/11/543095711.db2.gz AHKRMMJRWYPCGK-LJQANCHMSA-N 1 0 369.490 2.401 20 30 FEEDRO COc1cc[nH+]c(N2CCN(C(=O)[C@@H](C)Oc3ccccc3C#N)CC2)c1 ZINC000104518673 543133204 /nfs/dbraw/zinc/13/32/04/543133204.db2.gz DIYCFPHJIBCRHX-OAHLLOKOSA-N 1 0 366.421 2.078 20 30 FEEDRO Cc1c(C(=O)N(CCC#N)CCC[NH+](C)C)nnn1-c1ccc(C)cc1 ZINC000104327121 543128432 /nfs/dbraw/zinc/12/84/32/543128432.db2.gz IOMMFGSGWBJRFE-UHFFFAOYSA-N 1 0 354.458 2.192 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000104327228 543128980 /nfs/dbraw/zinc/12/89/80/543128980.db2.gz RHJNAAHFJHWPPS-UHFFFAOYSA-N 1 0 370.413 2.088 20 30 FEEDRO COCCN(CC[NH+](C)C)C(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000105101666 543158609 /nfs/dbraw/zinc/15/86/09/543158609.db2.gz CJAHEUXTWKWJHI-UHFFFAOYSA-N 1 0 371.403 2.277 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)c2ccc(=O)n(-c3ccccc3)n2)CC1 ZINC000106037492 543186153 /nfs/dbraw/zinc/18/61/53/543186153.db2.gz OHJBGVCEHJQCDC-UHFFFAOYSA-N 1 0 352.438 2.003 20 30 FEEDRO C[C@H]1C[NH+](Cc2ccc(CNC(=O)c3ccc(C#N)cn3)cc2)C[C@H](C)O1 ZINC000107552112 543272234 /nfs/dbraw/zinc/27/22/34/543272234.db2.gz GDXNKSILKPBZEH-HOTGVXAUSA-N 1 0 364.449 2.492 20 30 FEEDRO C=CCNC(=O)NC(=O)C[N@H+](C)CCCc1cc(-c2cccc(F)c2)n[nH]1 ZINC000108375380 543288281 /nfs/dbraw/zinc/28/82/81/543288281.db2.gz XDJODCXHZCTUSY-UHFFFAOYSA-N 1 0 373.432 2.092 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH2+][C@@H]1CCc2nc(C)nn2C1 ZINC000112549185 543451301 /nfs/dbraw/zinc/45/13/01/543451301.db2.gz QHZLXOHMVGCEMQ-UKRRQHHQSA-N 1 0 359.499 2.156 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1ccccc1-n1cnnn1)C(C)C ZINC000112919818 543468576 /nfs/dbraw/zinc/46/85/76/543468576.db2.gz VYYQQNVQIJQJJZ-GOSISDBHSA-N 1 0 354.458 2.091 20 30 FEEDRO N#Cc1ccc(C(=O)Nc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)cn1 ZINC000115073842 543550961 /nfs/dbraw/zinc/55/09/61/543550961.db2.gz PZNHZYYSAYGWMO-UHFFFAOYSA-N 1 0 363.421 2.031 20 30 FEEDRO N#Cc1ccc(C(=O)NCCCC[NH+]2CCN(c3ccccc3)CC2)cn1 ZINC000115337588 543560861 /nfs/dbraw/zinc/56/08/61/543560861.db2.gz JANWBBVZOUICBG-UHFFFAOYSA-N 1 0 363.465 2.285 20 30 FEEDRO C=C(C)COc1cc(CN2CCN(CC(=O)NC3CC3)CC2)ccc1OC ZINC000120776728 543684072 /nfs/dbraw/zinc/68/40/72/543684072.db2.gz UMMUTMYEJVAKJB-UHFFFAOYSA-N 1 0 373.497 2.046 20 30 FEEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000119433373 543667570 /nfs/dbraw/zinc/66/75/70/543667570.db2.gz KYPQRDFKBOSHFW-IEBWSBKVSA-N 1 0 357.502 2.289 20 30 FEEDRO N#CCc1ccc(OC[C@H](O)C[NH+]2CCC(OC[C@@H]3CCOC3)CC2)cc1 ZINC000119486069 543667926 /nfs/dbraw/zinc/66/79/26/543667926.db2.gz KOZPKMUYQKFRIN-RTBURBONSA-N 1 0 374.481 2.010 20 30 FEEDRO C#Cc1cccc(NC(=O)C(=O)Nc2ccnn2C2CC[NH+](CC)CC2)c1 ZINC000120555310 543681744 /nfs/dbraw/zinc/68/17/44/543681744.db2.gz FZULHNURADTBCU-UHFFFAOYSA-N 1 0 365.437 2.098 20 30 FEEDRO N#Cc1ccc2ncc(C[NH2+]C[C@H](c3cccs3)N3CCOCC3)n2c1 ZINC000123150771 543745588 /nfs/dbraw/zinc/74/55/88/543745588.db2.gz RDCNWDDCFSDGRO-QGZVFWFLSA-N 1 0 367.478 2.431 20 30 FEEDRO CC(C)Oc1ccccc1NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C ZINC000122129911 543704023 /nfs/dbraw/zinc/70/40/23/543704023.db2.gz WBQKSEKYCDLQRN-UHFFFAOYSA-N 1 0 360.458 2.106 20 30 FEEDRO CO[C@H](C)c1cccc(NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C)c1 ZINC000122172650 543704665 /nfs/dbraw/zinc/70/46/65/543704665.db2.gz JZGKVXACFGCWNR-OAHLLOKOSA-N 1 0 360.458 2.026 20 30 FEEDRO C=CCOc1ccc(C[NH2+]CCNS(=O)(=O)c2cccs2)cc1 ZINC000122276538 543704762 /nfs/dbraw/zinc/70/47/62/543704762.db2.gz FODYNICTAXSMEV-UHFFFAOYSA-N 1 0 352.481 2.381 20 30 FEEDRO N#Cc1ccc2ncc(C[NH2+]CCCNC(=O)c3cccc(F)c3)n2c1 ZINC000123713691 543778705 /nfs/dbraw/zinc/77/87/05/543778705.db2.gz VHESQNZWQBTOEB-UHFFFAOYSA-N 1 0 351.385 2.255 20 30 FEEDRO C=CCN1C(=O)c2ccc(C(=O)N(C)[C@@H]3CC[N@H+](C)[C@@H](C)C3)cc2C1=O ZINC000123385574 543759077 /nfs/dbraw/zinc/75/90/77/543759077.db2.gz FNTHRCQUAPTXAL-DZGCQCFKSA-N 1 0 355.438 2.023 20 30 FEEDRO N#CC1(NC(=O)C[N@H+](C[C@H]2CCCO2)[C@@H]2CCSC2)CCCCC1 ZINC000123640523 543774462 /nfs/dbraw/zinc/77/44/62/543774462.db2.gz NPLLXDUOPRMCQO-HZPDHXFCSA-N 1 0 351.516 2.316 20 30 FEEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CN2CCC[C@@](C)(O)C2)c1C#N ZINC000124769906 543841725 /nfs/dbraw/zinc/84/17/25/543841725.db2.gz PNYYAQFTAHPPCE-HXUWFJFHSA-N 1 0 370.453 2.403 20 30 FEEDRO COCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000124801426 543843903 /nfs/dbraw/zinc/84/39/03/543843903.db2.gz HLASDVHMYSICQC-SFHVURJKSA-N 1 0 356.470 2.201 20 30 FEEDRO C[N@@H+]1CCC[C@H]1CCN1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000124860694 543847186 /nfs/dbraw/zinc/84/71/86/543847186.db2.gz XYZPQDRMYQAQGE-HNNXBMFYSA-N 1 0 355.442 2.413 20 30 FEEDRO C[C@H]1C[C@@H](NC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)C[N@@H+]1C1CC1 ZINC000127834657 544016053 /nfs/dbraw/zinc/01/60/53/544016053.db2.gz AZBPLNZRKPIONS-GOEBONIOSA-N 1 0 371.460 2.154 20 30 FEEDRO CCC[C@H]1CN(C(=O)Cc2cccc(OCC#N)c2)CC[N@@H+]1CCOC ZINC000128140165 544034926 /nfs/dbraw/zinc/03/49/26/544034926.db2.gz WVJZCEZMVBUVDY-SFHVURJKSA-N 1 0 359.470 2.091 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCC[C@@H]1c1nncn1C)C(C)C ZINC000130077455 544138146 /nfs/dbraw/zinc/13/81/46/544138146.db2.gz CXOCIXTYAUYOMU-SJORKVTESA-N 1 0 360.506 2.360 20 30 FEEDRO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3CCC[C@H]3CC(C)C)CC2)o1 ZINC000130245996 544144249 /nfs/dbraw/zinc/14/42/49/544144249.db2.gz WIPPPGQZGRWGML-INIZCTEOSA-N 1 0 359.474 2.014 20 30 FEEDRO CCOCCC1(CNC2=[NH+]C[C@H]3CN(C(=O)OC(C)(C)C)CCN23)CC1 ZINC000130609035 544157724 /nfs/dbraw/zinc/15/77/24/544157724.db2.gz PXXNZOBSLWDCGH-HNNXBMFYSA-N 1 0 366.506 2.074 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)CC[C@H]1Cc2ccccc2NC1=O ZINC000130803884 544165481 /nfs/dbraw/zinc/16/54/81/544165481.db2.gz CMTRIVSTAXZYLM-KRWDZBQOSA-N 1 0 356.470 2.272 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)Nc2cccn(Cc3ccc(C)cc3)c2=O)CC1 ZINC000132471155 544232187 /nfs/dbraw/zinc/23/21/87/544232187.db2.gz VJYZRYHYTYFPLA-UHFFFAOYSA-N 1 0 363.461 2.489 20 30 FEEDRO C#CCOc1ccc([C@@H](C)[NH2+]C2CCN(S(=O)(=O)CC)CC2)cc1 ZINC000133175246 544259137 /nfs/dbraw/zinc/25/91/37/544259137.db2.gz CYBWAKIEPVBNNC-OAHLLOKOSA-N 1 0 350.484 2.163 20 30 FEEDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1cc(C#N)ccc1Cl ZINC000133370011 544267121 /nfs/dbraw/zinc/26/71/21/544267121.db2.gz SGUWAPHMLGGHAX-KGLIPLIRSA-N 1 0 360.845 2.235 20 30 FEEDRO N#Cc1ccc(C[NH+]2CCC(N[C@H](C(N)=O)c3ccc(F)cc3)CC2)cc1 ZINC000134870546 544324652 /nfs/dbraw/zinc/32/46/52/544324652.db2.gz SKJADAQFZNRFDV-FQEVSTJZSA-N 1 0 366.440 2.478 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)Nc1ccc(C#N)cc1F)C(C)C ZINC000135841516 544362447 /nfs/dbraw/zinc/36/24/47/544362447.db2.gz IVNWVLMWQXIVMN-GOSISDBHSA-N 1 0 372.444 2.451 20 30 FEEDRO C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)Cc2ccc(OCC#N)cc2)C[C@H](C)O1 ZINC000247512351 549348418 /nfs/dbraw/zinc/34/84/18/549348418.db2.gz JTNCIWOCJCSPLU-ZIFCJYIRSA-N 1 0 371.481 2.232 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)c(F)c1 ZINC000151170569 544512382 /nfs/dbraw/zinc/51/23/82/544512382.db2.gz GEWCKLBFOXJABX-OAHLLOKOSA-N 1 0 351.447 2.336 20 30 FEEDRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(c2ccc(C#N)c(C(F)(F)F)c2)CC1 ZINC000151619852 544562760 /nfs/dbraw/zinc/56/27/60/544562760.db2.gz GDLMILWLRRQKPE-MRXNPFEDSA-N 1 0 366.387 2.320 20 30 FEEDRO N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@H]2C[C@H](O)c2ccco2)cc1 ZINC000151867055 544589935 /nfs/dbraw/zinc/58/99/35/544589935.db2.gz FQVRITARQINFCX-LNLFQRSKSA-N 1 0 356.422 2.479 20 30 FEEDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)CCCC(=O)Nc1ccccc1C#N ZINC000151974221 544602373 /nfs/dbraw/zinc/60/23/73/544602373.db2.gz FYABDARGMGFWDN-QAPCUYQASA-N 1 0 356.470 2.466 20 30 FEEDRO CCN(C(=O)[C@@H](C)[N@H+](C)CCCc1[nH]nc(N)c1C#N)c1ccccc1 ZINC000153275599 544755172 /nfs/dbraw/zinc/75/51/72/544755172.db2.gz ITLWJSXVOOOIIV-CQSZACIVSA-N 1 0 354.458 2.170 20 30 FEEDRO C[C@H](C(=O)Nc1cc(F)ccc1F)[N@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000153325489 544761581 /nfs/dbraw/zinc/76/15/81/544761581.db2.gz WTMXQNLEZBFBRT-SNVBAGLBSA-N 1 0 362.384 2.033 20 30 FEEDRO CC[NH+]=C(NC[C@@H](O)c1ccc(C)cc1)N[C@@H]1CCCn2nc(C)nc21 ZINC000153615362 544798633 /nfs/dbraw/zinc/79/86/33/544798633.db2.gz KEPHUEDWYQOJIJ-IAGOWNOFSA-N 1 0 356.474 2.019 20 30 FEEDRO COc1ccc(C#N)cc1CN(C)CCNS(=O)(=O)c1ccc(C)cc1 ZINC000154143733 544870193 /nfs/dbraw/zinc/87/01/93/544870193.db2.gz PAAGBEGRPAQUCS-UHFFFAOYSA-N 1 0 373.478 2.286 20 30 FEEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000154628661 544930282 /nfs/dbraw/zinc/93/02/82/544930282.db2.gz NIHRJNPZIZVWAK-UHFFFAOYSA-N 1 0 370.497 2.273 20 30 FEEDRO C=CCN1C(=S)N=NC1c1sc(NC(=O)[C@@H]([NH3+])[C@@H](C)CC)nc1C ZINC000155271169 545006839 /nfs/dbraw/zinc/00/68/39/545006839.db2.gz ROVRINNMMPCVMI-WPRPVWTQSA-N 1 0 366.516 2.497 20 30 FEEDRO C=CCSCCNC(=O)C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000552503270 674212364 /nfs/dbraw/zinc/21/23/64/674212364.db2.gz QTGNOMBUGWPCIT-SJORKVTESA-N 1 0 367.559 2.135 20 30 FEEDRO N#Cc1ccc(Cl)c(C(=O)OCC(=O)NC2CC[NH+](C3CC3)CC2)c1 ZINC000803833469 674262385 /nfs/dbraw/zinc/26/23/85/674262385.db2.gz VYTOBNQVXNXMOQ-UHFFFAOYSA-N 1 0 361.829 2.111 20 30 FEEDRO N#Cc1ccc(Cl)c(S(=O)(=O)N2CCC[C@H]2C[NH+]2CCCC2)c1 ZINC000184205904 327856021 /nfs/dbraw/zinc/85/60/21/327856021.db2.gz LGYWYEBQGQKFQP-AWEZNQCLSA-N 1 0 353.875 2.461 20 30 FEEDRO N#Cc1cccnc1-n1cc(NC(=O)N2CC[NH+](C3CCCC3)CC2)cn1 ZINC000184614563 327875722 /nfs/dbraw/zinc/87/57/22/327875722.db2.gz DMGKEUTVQCGOMC-UHFFFAOYSA-N 1 0 365.441 2.231 20 30 FEEDRO CC[N@H+](CCNS(=O)(=O)c1cccc(Br)c1C#N)C1CC1 ZINC000553818813 674287544 /nfs/dbraw/zinc/28/75/44/674287544.db2.gz DSQYKGFXGBPNBI-UHFFFAOYSA-N 1 0 372.288 2.083 20 30 FEEDRO N#Cc1ccc(C2(C(=O)NC3CC[NH+](C[C@H]4CCOC4)CC3)CC2)cc1 ZINC000187120634 328003070 /nfs/dbraw/zinc/00/30/70/328003070.db2.gz JUVXCXZNJYVBAN-QGZVFWFLSA-N 1 0 353.466 2.207 20 30 FEEDRO C[C@H]1CN(C(=O)CCCCOc2cccc(C#N)c2)CC[N@@H+]1CC(C)(C)O ZINC000188616843 328099141 /nfs/dbraw/zinc/09/91/41/328099141.db2.gz SXGYBNMCFYJTCE-KRWDZBQOSA-N 1 0 373.497 2.411 20 30 FEEDRO N#Cc1ccc(N2C(=O)C[C@H](N3CCC([C@@H]4CCCO4)CC3)C2=O)cc1 ZINC000190079506 328186375 /nfs/dbraw/zinc/18/63/75/328186375.db2.gz VXIQRSVWOSVGAQ-ROUUACIJSA-N 1 0 353.422 2.081 20 30 FEEDRO CC(C)(O)C[NH+]1CCN(Cc2cc(C#N)ccc2Br)CC1 ZINC000191782082 328281422 /nfs/dbraw/zinc/28/14/22/328281422.db2.gz BLWFHMOYLDAFDZ-UHFFFAOYSA-N 1 0 352.276 2.209 20 30 FEEDRO CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000192681131 328333019 /nfs/dbraw/zinc/33/30/19/328333019.db2.gz ZUQCIGLNJABYSR-UHFFFAOYSA-N 1 0 371.485 2.140 20 30 FEEDRO CCCN(CCC[NH+](C)C)C(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000193509382 328379098 /nfs/dbraw/zinc/37/90/98/328379098.db2.gz IADPXZLKSQBABK-UHFFFAOYSA-N 1 0 361.490 2.244 20 30 FEEDRO CCN(CCC[NH+]1CCCC1)C(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000193511591 328379338 /nfs/dbraw/zinc/37/93/38/328379338.db2.gz UDFZZXGFGQGWNS-UHFFFAOYSA-N 1 0 373.501 2.388 20 30 FEEDRO CC[N@H+](CC(=O)NC(=O)NCC(F)(F)F)[C@@H](C)c1ccc(C#N)cc1 ZINC000193759737 328393721 /nfs/dbraw/zinc/39/37/21/328393721.db2.gz CCYDRQTYYPTABD-NSHDSACASA-N 1 0 356.348 2.329 20 30 FEEDRO COc1cc(CNC(=O)c2ccc(C#N)cc2)ccc1OCC[NH+](C)C ZINC000194855486 328443954 /nfs/dbraw/zinc/44/39/54/328443954.db2.gz UTDKTXCXJMHCCZ-UHFFFAOYSA-N 1 0 353.422 2.437 20 30 FEEDRO C[C@H]([NH2+]C[C@H](O)COc1ccc(C#N)cc1)c1ccc(-n2cncn2)cc1 ZINC000012900129 324373018 /nfs/dbraw/zinc/37/30/18/324373018.db2.gz NHDJXRCRIOPCQH-KXBFYZLASA-N 1 0 363.421 2.229 20 30 FEEDRO CC1CC[NH+](CCCNC(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000049298873 324680914 /nfs/dbraw/zinc/68/09/14/324680914.db2.gz VHBVQZFAGAEVFU-UHFFFAOYSA-N 1 0 362.861 2.388 20 30 FEEDRO N#Cc1ccc(-c2nnc(CN3CCC(C[NH+]4CCOCC4)CC3)o2)cc1 ZINC000075639554 324898103 /nfs/dbraw/zinc/89/81/03/324898103.db2.gz XTXGFAGBLCNXSO-UHFFFAOYSA-N 1 0 367.453 2.152 20 30 FEEDRO Cc1oc(NC(=O)[C@@H](C)N2CCC(C[NH+]3CCOCC3)CC2)c(C#N)c1C ZINC000075937855 324910387 /nfs/dbraw/zinc/91/03/87/324910387.db2.gz DWDAEJXIJXFBNC-OAHLLOKOSA-N 1 0 374.485 2.139 20 30 FEEDRO C[C@H]1CCC[C@](CNC(=O)C(=O)Nc2ccc(F)c(C#N)c2)([NH+](C)C)C1 ZINC000077540720 324995417 /nfs/dbraw/zinc/99/54/17/324995417.db2.gz SLLZZGUOIXKKME-DJJJIMSYSA-N 1 0 360.433 2.263 20 30 FEEDRO Cc1cnn(CCC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000080266268 325125879 /nfs/dbraw/zinc/12/58/79/325125879.db2.gz ODGDTCNWSALREW-UHFFFAOYSA-N 1 0 351.454 2.188 20 30 FEEDRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1cc(C#N)cn1C ZINC000081550754 325182773 /nfs/dbraw/zinc/18/27/73/325182773.db2.gz BIUKRXJFYHXYOY-UHFFFAOYSA-N 1 0 367.453 2.300 20 30 FEEDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2Cl)C1 ZINC000088780201 325301453 /nfs/dbraw/zinc/30/14/53/325301453.db2.gz UKFYAPCKATYKDR-AWEZNQCLSA-N 1 0 362.861 2.340 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H]2C[C@H]2c2c(F)cccc2F)c1C#N ZINC000089675758 325326536 /nfs/dbraw/zinc/32/65/36/325326536.db2.gz ONUNMKFWYIYRSE-GHMZBOCLSA-N 1 0 359.380 2.454 20 30 FEEDRO COc1ccc(C[NH2+]C[C@@H]2C[C@@H](O)CN2Cc2ccccc2)cc1C#N ZINC000089799482 325333920 /nfs/dbraw/zinc/33/39/20/325333920.db2.gz HAFBPDHAWRQVHO-VQTJNVASSA-N 1 0 351.450 2.292 20 30 FEEDRO N#Cc1cc(NC(=O)NC[C@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)ccc1F ZINC000089868333 325338100 /nfs/dbraw/zinc/33/81/00/325338100.db2.gz HJUZLEMKIZXNCF-QZTJIDSGSA-N 1 0 368.412 2.454 20 30 FEEDRO Cc1ccc(C)c(OC[C@@H](O)C[N@H+](C)CCCc2[nH]nc(N)c2C#N)c1C ZINC000089942914 325344027 /nfs/dbraw/zinc/34/40/27/325344027.db2.gz WAHGBTZZRXHKDE-INIZCTEOSA-N 1 0 371.485 2.093 20 30 FEEDRO C[NH+](C)[C@@H]1CC[C@@H](NC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)C1 ZINC000091763375 325392475 /nfs/dbraw/zinc/39/24/75/325392475.db2.gz DNXWPTYUGWVOGU-HZPDHXFCSA-N 1 0 359.449 2.012 20 30 FEEDRO CC(C)[C@H](C(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)[NH+](C)C ZINC000106430123 325598130 /nfs/dbraw/zinc/59/81/30/325598130.db2.gz IWFFWCPAQUBDDH-MRXNPFEDSA-N 1 0 371.441 2.041 20 30 FEEDRO CCC[NH+]1CCC(N2CCN(CCOc3ccc(C#N)cc3)CC2)CC1 ZINC000112358047 325775094 /nfs/dbraw/zinc/77/50/94/325775094.db2.gz KEYZNZPQPJRTDL-UHFFFAOYSA-N 1 0 356.514 2.429 20 30 FEEDRO CCC[C@H]1CN(CCC(=O)Nc2ccc(C#N)cc2)CC[N@@H+]1CCOC ZINC000121969940 326378823 /nfs/dbraw/zinc/37/88/23/326378823.db2.gz KRIBKPYHHLXWBZ-IBGZPJMESA-N 1 0 358.486 2.320 20 30 FEEDRO N#Cc1cc(F)c(S(=O)(=O)N2CCC([NH+]3CCCC3)CC2)c(F)c1 ZINC000124279406 326450953 /nfs/dbraw/zinc/45/09/53/326450953.db2.gz IWSXQLZOSZTWIA-UHFFFAOYSA-N 1 0 355.410 2.085 20 30 FEEDRO C[C@H]1CCC[C@](CNC(=O)C(=O)Nc2ccc(C#N)cc2F)([NH+](C)C)C1 ZINC000136023044 326649246 /nfs/dbraw/zinc/64/92/46/326649246.db2.gz WUCYODDCGWBQRS-DJJJIMSYSA-N 1 0 360.433 2.263 20 30 FEEDRO N#Cc1cc(S(=O)(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)ccc1Cl ZINC000151616372 326686862 /nfs/dbraw/zinc/68/68/62/326686862.db2.gz NPVBARWGRWJPHS-ZDUSSCGKSA-N 1 0 353.875 2.318 20 30 FEEDRO C[NH+](C)Cc1ccc(CNC(=O)C(=O)Nc2ccc(F)c(C#N)c2)cc1F ZINC000153992320 326748262 /nfs/dbraw/zinc/74/82/62/326748262.db2.gz YDJPMXIZQMKLOY-UHFFFAOYSA-N 1 0 372.375 2.153 20 30 FEEDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NS(=O)(=O)c1ccc(F)cc1C#N ZINC000162340199 327023178 /nfs/dbraw/zinc/02/31/78/327023178.db2.gz ASBNRUURRZJCLL-KSSFIOAISA-N 1 0 373.453 2.496 20 30 FEEDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NS(=O)(=O)c1ccc(C#N)cc1F ZINC000162349457 327023310 /nfs/dbraw/zinc/02/33/10/327023310.db2.gz RVQCKMLAOWZIBZ-KDOFPFPSSA-N 1 0 373.453 2.496 20 30 FEEDRO CCC[NH+](CCC)CCCC(=O)N1CCN(c2nccnc2C#N)C[C@H]1C ZINC000163510404 327053138 /nfs/dbraw/zinc/05/31/38/327053138.db2.gz JGTKEMVLAKXTEN-QGZVFWFLSA-N 1 0 372.517 2.288 20 30 FEEDRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)NCc2ccc(C#N)cc2)CC1 ZINC000171617217 327148354 /nfs/dbraw/zinc/14/83/54/327148354.db2.gz MHFCAJAMCOYSDW-QZTJIDSGSA-N 1 0 369.513 2.258 20 30 FEEDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N(Cc1ccc(C#N)cc1)C1CC1 ZINC000171908526 327169522 /nfs/dbraw/zinc/16/95/22/327169522.db2.gz OPJMCCSXGHQHNY-LJQANCHMSA-N 1 0 356.470 2.343 20 30 FEEDRO Cc1cccc(NC(=O)C(=O)N2CC[C@@H]3CC[C@H](C2)[N@@H+]3C(C)C)c1C#N ZINC000173277571 327246122 /nfs/dbraw/zinc/24/61/22/327246122.db2.gz WUACQIWPFZXUEB-JKSUJKDBSA-N 1 0 354.454 2.279 20 30 FEEDRO N#Cc1ccccc1CSCCNC(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000173495656 327261212 /nfs/dbraw/zinc/26/12/12/327261212.db2.gz NRJSDGDVHSBIAF-SFHVURJKSA-N 1 0 356.495 2.447 20 30 FEEDRO COc1ccc(CN2CC[C@@H]([NH2+]Cc3ccc(OC)c(C#N)c3)C2=O)cc1 ZINC000174399809 327324956 /nfs/dbraw/zinc/32/49/56/327324956.db2.gz SPNBOYFPRBDEFJ-LJQANCHMSA-N 1 0 365.433 2.466 20 30 FEEDRO C[C@@H](O)CC(C)(C)CNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000175564342 327399678 /nfs/dbraw/zinc/39/96/78/327399678.db2.gz NDRIOWGDNKFMCI-MRXNPFEDSA-N 1 0 360.502 2.429 20 30 FEEDRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)/C=C/c2cccc(C#N)c2)CC1 ZINC000264523742 329032420 /nfs/dbraw/zinc/03/24/20/329032420.db2.gz MXZVJYBSECKAJS-NDDJGDGRSA-N 1 0 352.482 2.200 20 30 FEEDRO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)/C=C/c2cccc(C#N)c2)CC1 ZINC000264523740 329032493 /nfs/dbraw/zinc/03/24/93/329032493.db2.gz MXZVJYBSECKAJS-IBDYFIJFSA-N 1 0 352.482 2.200 20 30 FEEDRO CN1CC[N@H+](C)C[C@@H]1CNc1c(C#N)cnc2ccc(OC(F)F)cc21 ZINC000264688881 329048885 /nfs/dbraw/zinc/04/88/85/329048885.db2.gz BSQYSTCDKVGQMP-ZDUSSCGKSA-N 1 0 361.396 2.366 20 30 FEEDRO C[C@H](NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)[C@@H]1CCOC1 ZINC000266563464 329236459 /nfs/dbraw/zinc/23/64/59/329236459.db2.gz NFQSKGAZLGZIEQ-QFBILLFUSA-N 1 0 356.470 2.201 20 30 FEEDRO N#Cc1ccnc(N2CCN(C(=O)[C@@H]3CC[N@@H+](C4CCCCC4)C3)CC2)c1 ZINC000267401813 329323289 /nfs/dbraw/zinc/32/32/89/329323289.db2.gz ZXMJFRIFQYQQGD-GOSISDBHSA-N 1 0 367.497 2.256 20 30 FEEDRO N#Cc1cc(F)ccc1NC(=O)C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000267539351 329336304 /nfs/dbraw/zinc/33/63/04/329336304.db2.gz COVOOIVJFOZMGV-UHFFFAOYSA-N 1 0 358.417 2.113 20 30 FEEDRO N#Cc1ccc(NC(=O)C(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)c(Cl)c1 ZINC000269084153 329484075 /nfs/dbraw/zinc/48/40/75/329484075.db2.gz IURACWMQFBYGNX-HNNXBMFYSA-N 1 0 374.872 2.485 20 30 FEEDRO N#Cc1cc(Cl)ccc1S(=O)(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000269658325 329538023 /nfs/dbraw/zinc/53/80/23/329538023.db2.gz KLHYGMFRQQDUBZ-OAHLLOKOSA-N 1 0 353.875 2.461 20 30 FEEDRO COc1cc(C#N)ccc1OCC(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000270242395 329584800 /nfs/dbraw/zinc/58/48/00/329584800.db2.gz PEEQKSWLEJPNFQ-QGZVFWFLSA-N 1 0 357.454 2.136 20 30 FEEDRO N#Cc1c(Br)cccc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000276316999 330140154 /nfs/dbraw/zinc/14/01/54/330140154.db2.gz SZVFXARGZWNYSV-ZDUSSCGKSA-N 1 0 350.260 2.479 20 30 FEEDRO Cc1nc(C#N)c(N2CCC(C(=O)N3CC[C@H](C[NH+]4CCCC4)C3)CC2)o1 ZINC000276466651 330155091 /nfs/dbraw/zinc/15/50/91/330155091.db2.gz PPVCJQHLMZSSPN-MRXNPFEDSA-N 1 0 371.485 2.015 20 30 FEEDRO CC(C)[C@@H]1CCc2c(C#N)c(NC(=O)C(=O)N3C[C@@H](C)[C@@H]([NH3+])C3)sc2C1 ZINC000331784255 330200854 /nfs/dbraw/zinc/20/08/54/330200854.db2.gz IHWZFIRBDBZIQH-JMSVASOKSA-N 1 0 374.510 2.125 20 30 FEEDRO N#Cc1cccc(NC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCCCC2)c1 ZINC000364813561 330206970 /nfs/dbraw/zinc/20/69/70/330206970.db2.gz AXAJJYXYQDJDRT-GOSISDBHSA-N 1 0 354.454 2.364 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)s1 ZINC000367182244 330227084 /nfs/dbraw/zinc/22/70/84/330227084.db2.gz YEZRODDCIZFWBO-IYBDPMFKSA-N 1 0 373.503 2.372 20 30 FEEDRO Cc1ccc(C#N)c(N2CCC[C@H](C(=O)NCC[N@H+]3CCCC[C@@H]3C)C2)n1 ZINC000377932279 330252971 /nfs/dbraw/zinc/25/29/71/330252971.db2.gz OEKKYTXHUKKCDX-HKUYNNGSSA-N 1 0 369.513 2.469 20 30 FEEDRO CC(C)(C)CNC(=O)C(C)(C)[NH2+]CCC(=O)Nc1sccc1C#N ZINC000155515974 545535775 /nfs/dbraw/zinc/53/57/75/545535775.db2.gz VOYMFFWEHIUSHF-UHFFFAOYSA-N 1 0 350.488 2.479 20 30 FEEDRO C[NH+](C)[C@H](CNS(=O)(=O)c1ccc(F)cc1C#N)Cc1ccccc1 ZINC000156156944 545603287 /nfs/dbraw/zinc/60/32/87/545603287.db2.gz LLHHDKBQXRQSKU-KRWDZBQOSA-N 1 0 361.442 2.149 20 30 FEEDRO N#Cc1ccc(CNC(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)c(F)c1 ZINC000156193611 545606819 /nfs/dbraw/zinc/60/68/19/545606819.db2.gz ZRNFTROWLFKAPR-MOPGFXCFSA-N 1 0 374.460 2.264 20 30 FEEDRO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1CCC(n2cncn2)CC1 ZINC000156565603 545636788 /nfs/dbraw/zinc/63/67/88/545636788.db2.gz AKSMSRBGHPYVBZ-KOHRHEQBSA-N 1 0 358.490 2.234 20 30 FEEDRO C[C@](CO)([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)C1CCCCC1 ZINC000156781789 545659311 /nfs/dbraw/zinc/65/93/11/545659311.db2.gz VYEFISNXSLPSPQ-GOSISDBHSA-N 1 0 350.484 2.253 20 30 FEEDRO C[N@H+](CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)C1CCCCC1 ZINC000156844779 545669381 /nfs/dbraw/zinc/66/93/81/545669381.db2.gz XDIDPCXYKNAIFP-UHFFFAOYSA-N 1 0 366.443 2.009 20 30 FEEDRO Cc1cccc(S(=O)(=O)NCc2ccccc2OCC[NH+](C)C)c1C#N ZINC000156904813 545674921 /nfs/dbraw/zinc/67/49/21/545674921.db2.gz UXFRSNKMOWBKPO-UHFFFAOYSA-N 1 0 373.478 2.286 20 30 FEEDRO CC[C@@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000157544165 545753212 /nfs/dbraw/zinc/75/32/12/545753212.db2.gz FRVPUKXBKMAVIY-CYBMUJFWSA-N 1 0 366.443 2.009 20 30 FEEDRO C[C@H](Oc1ccccc1C#N)C(=O)N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000158333225 545849249 /nfs/dbraw/zinc/84/92/49/545849249.db2.gz WEPCVMRGPQUMCF-HKUYNNGSSA-N 1 0 371.481 2.429 20 30 FEEDRO C=CC[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000478027859 561158501 /nfs/dbraw/zinc/15/85/01/561158501.db2.gz MPNKWTAIGFDPAP-CQSZACIVSA-N 1 0 368.401 2.016 20 30 FEEDRO CC[N@@H+]1CCCN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)CC1 ZINC000159841535 545985080 /nfs/dbraw/zinc/98/50/80/545985080.db2.gz AOINVDFRUZDOLE-QGZVFWFLSA-N 1 0 373.476 2.403 20 30 FEEDRO CC[NH+]=C(NCc1c(C)nn(C)c1C)N1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000160086110 546006801 /nfs/dbraw/zinc/00/68/01/546006801.db2.gz YAZABPANRUUEFW-KSSFIOAISA-N 1 0 357.506 2.282 20 30 FEEDRO CC(C)[C@@H](CCO)[NH2+]CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000162047244 546136529 /nfs/dbraw/zinc/13/65/29/546136529.db2.gz NRKXZRXHOJUPNY-MRXNPFEDSA-N 1 0 356.388 2.170 20 30 FEEDRO COc1cccc([C@H](CNS(=O)(=O)CC2(C#N)CC2)[NH+]2CCCC2)c1 ZINC000164381476 546150312 /nfs/dbraw/zinc/15/03/12/546150312.db2.gz LATJTCQBZTUYHM-KRWDZBQOSA-N 1 0 363.483 2.055 20 30 FEEDRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NS(=O)(=O)CC1(C#N)CC1 ZINC000166039069 546155026 /nfs/dbraw/zinc/15/50/26/546155026.db2.gz IYKHRSCMNBZQKQ-HOTGVXAUSA-N 1 0 361.511 2.366 20 30 FEEDRO N#Cc1ccsc1NC(=O)CC[NH+]1CCC(NC(=O)c2ccoc2)CC1 ZINC000166345128 546156441 /nfs/dbraw/zinc/15/64/41/546156441.db2.gz DRRPWGIPKMFPOP-UHFFFAOYSA-N 1 0 372.450 2.436 20 30 FEEDRO COc1ccc(CCNC(=[NH2+])NCc2ccc([C@@H](C)O)cc2)cc1OC ZINC000170908124 546181628 /nfs/dbraw/zinc/18/16/28/546181628.db2.gz LUZNTIMVLSYZIO-CQSZACIVSA-N 1 0 357.454 2.404 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)[C@@H]2CCN(c3cc(C)cc(C)c3)C2=O)CC1 ZINC000171715630 546220691 /nfs/dbraw/zinc/22/06/91/546220691.db2.gz SMJHIQQAKBMPKG-IBGZPJMESA-N 1 0 355.482 2.423 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)c2c(C)nn(-c3ccccc3)c2C)CC1 ZINC000171720669 546221512 /nfs/dbraw/zinc/22/15/12/546221512.db2.gz JOTCDCBUENPDMN-UHFFFAOYSA-N 1 0 366.465 2.438 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N2CCN(CCOc3ccccc3)CC2)CC1 ZINC000171740151 546223660 /nfs/dbraw/zinc/22/36/60/546223660.db2.gz LSIQBXUNPOKCMJ-UHFFFAOYSA-N 1 0 372.513 2.043 20 30 FEEDRO C=CCOc1ccccc1CNC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000171854594 546228033 /nfs/dbraw/zinc/22/80/33/546228033.db2.gz OARWBEAMNRLSIR-GOSISDBHSA-N 1 0 361.486 2.407 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)NCCCC(=O)N2CCc3ccccc32)CC1 ZINC000171907785 546229768 /nfs/dbraw/zinc/22/97/68/546229768.db2.gz NNYJORLCKHACGO-UHFFFAOYSA-N 1 0 370.497 2.306 20 30 FEEDRO C[NH+](C)C[C@H]1CCN(C(=O)CCC(=O)N(CCC#N)c2ccccc2)C1 ZINC000172171553 546239432 /nfs/dbraw/zinc/23/94/32/546239432.db2.gz XKYGCQUSHHHRED-QGZVFWFLSA-N 1 0 356.470 2.124 20 30 FEEDRO CN1CCC(CNC(=O)c2ccccc2OCC#N)([NH+]2CCCCC2)CC1 ZINC000172752999 546266853 /nfs/dbraw/zinc/26/68/53/546266853.db2.gz GEVALSBUHQSXHZ-UHFFFAOYSA-N 1 0 370.497 2.269 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(OC3CCCC3)nc2)CC1 ZINC000173271648 546277196 /nfs/dbraw/zinc/27/71/96/546277196.db2.gz QDGPALIEMNNTKO-UHFFFAOYSA-N 1 0 372.469 2.108 20 30 FEEDRO COCC[NH+]1CCC(N[C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)CC1 ZINC000173644413 546284518 /nfs/dbraw/zinc/28/45/18/546284518.db2.gz NJJNMVQWLLKOAD-SFHVURJKSA-N 1 0 372.513 2.331 20 30 FEEDRO Cn1cc(C[NH2+]CCCN2CCCCC2=O)c(-c2ccc(C#N)cc2)n1 ZINC000479946911 561200097 /nfs/dbraw/zinc/20/00/97/561200097.db2.gz GNPKRTSZEBWUNY-UHFFFAOYSA-N 1 0 351.454 2.451 20 30 FEEDRO C[C@H](CNC(=O)N(Cc1ccc(C#N)cc1)C1CC1)C[NH+]1CCN(C)CC1 ZINC000175792972 546352150 /nfs/dbraw/zinc/35/21/50/546352150.db2.gz ADWGBVAYZGCVFU-QGZVFWFLSA-N 1 0 369.513 2.116 20 30 FEEDRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)c1cc(C#N)cn1C ZINC000176043459 546395318 /nfs/dbraw/zinc/39/53/18/546395318.db2.gz XEKYAEWHUZZUDX-GOSISDBHSA-N 1 0 351.454 2.418 20 30 FEEDRO CC[NH+](CC)C[C@H](C)NS(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000480688436 561214408 /nfs/dbraw/zinc/21/44/08/561214408.db2.gz ICZZUUGQCRIKKC-NSHDSACASA-N 1 0 374.304 2.329 20 30 FEEDRO C[C@H](C1CC[NH+](C)CC1)N(C)S(=O)(=O)Cc1ccc(C#N)cc1F ZINC000480720827 561215251 /nfs/dbraw/zinc/21/52/51/561215251.db2.gz LBCLCGWWONUEBW-CYBMUJFWSA-N 1 0 353.463 2.189 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H]1COCCN1C1CCCC1)C(C)C ZINC000480948463 561221023 /nfs/dbraw/zinc/22/10/23/561221023.db2.gz AXNCVMDIWXXOPJ-UXHICEINSA-N 1 0 363.546 2.445 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(Cl)cc2OCC)CC1 ZINC000177646756 546659235 /nfs/dbraw/zinc/65/92/35/546659235.db2.gz VTRALFVIVSNAOV-UHFFFAOYSA-N 1 0 365.861 2.444 20 30 FEEDRO N#Cc1ccc(CS(=O)(=O)N2CCC[C@@H]2C[NH+]2CCCC2)c(F)c1 ZINC000481024527 561223144 /nfs/dbraw/zinc/22/31/44/561223144.db2.gz KYSMHZXDWYZVHU-MRXNPFEDSA-N 1 0 351.447 2.087 20 30 FEEDRO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000178103869 546738871 /nfs/dbraw/zinc/73/88/71/546738871.db2.gz KIQGFOBQWLPKEX-FXAWDEMLSA-N 1 0 371.481 2.142 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc3c(c2)S(=O)(=O)CC3)CC1 ZINC000178373837 546783172 /nfs/dbraw/zinc/78/31/72/546783172.db2.gz WQZVSURUZFZBKK-UHFFFAOYSA-N 1 0 363.483 2.178 20 30 FEEDRO COC(=O)[C@H]1C[C@@H](c2ccccc2)C[N@H+](CCC(=O)N(C)CCC#N)C1 ZINC000179380110 546943224 /nfs/dbraw/zinc/94/32/24/546943224.db2.gz XEQFJFQUKWDRAM-MSOLQXFVSA-N 1 0 357.454 2.027 20 30 FEEDRO CC[C@@H]1Oc2cc([C@@H](C)[NH2+]CC(=O)N(CC)C[C@@H](C)C#N)ccc2NC1=O ZINC000180013202 547039762 /nfs/dbraw/zinc/03/97/62/547039762.db2.gz CBOASRSRQCWMHK-VBQJREDUSA-N 1 0 372.469 2.455 20 30 FEEDRO C=CCNC(=O)c1ccc(N2CCC(CCC[NH+]3CCOCC3)CC2)nc1 ZINC000180172314 547063426 /nfs/dbraw/zinc/06/34/26/547063426.db2.gz XCCYCNDBLCTHFO-UHFFFAOYSA-N 1 0 372.513 2.326 20 30 FEEDRO C[C@@H](NC(=O)C(=O)Nc1ccc(F)cc1C#N)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000180407455 547102878 /nfs/dbraw/zinc/10/28/78/547102878.db2.gz RYDFWQSZUXHHTB-KGLIPLIRSA-N 1 0 372.444 2.405 20 30 FEEDRO C=CCNC(=O)NC(=O)C[NH2+][C@H](C)c1ccc(OCC(F)(F)F)cc1 ZINC000180963463 547220905 /nfs/dbraw/zinc/22/09/05/547220905.db2.gz RNCWSRSWPOKIBO-LLVKDONJSA-N 1 0 359.348 2.290 20 30 FEEDRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]CCOc2cccc(C#N)c2)cc1 ZINC000181052689 547239724 /nfs/dbraw/zinc/23/97/24/547239724.db2.gz HZBUXUNAVRGXJW-CQSZACIVSA-N 1 0 359.451 2.196 20 30 FEEDRO C[C@H]([NH2+]CC(=O)N(CCC#N)CCC#N)c1cccc(N2CCCC2=O)c1 ZINC000181446658 547316630 /nfs/dbraw/zinc/31/66/30/547316630.db2.gz QRFXBOXGRXWVKA-INIZCTEOSA-N 1 0 367.453 2.120 20 30 FEEDRO Cc1nc2n(n1)C[C@@H]([NH2+]C1CCN(Cc3ccc(C#N)cc3)CC1)CC2 ZINC000181664017 547355721 /nfs/dbraw/zinc/35/57/21/547355721.db2.gz XMAKZCTYDDQDHG-IBGZPJMESA-N 1 0 350.470 2.027 20 30 FEEDRO CC[NH+](CC)C[C@@H](C)NC(=O)Nc1ccc(S(=O)(=O)[C@@H](C)C#N)cc1 ZINC000483576320 561279978 /nfs/dbraw/zinc/27/99/78/561279978.db2.gz PZRNULVTZPMPMR-KGLIPLIRSA-N 1 0 366.487 2.224 20 30 FEEDRO COc1ccc([C@@H](CCO)[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)cc1 ZINC000182386810 547482733 /nfs/dbraw/zinc/48/27/33/547482733.db2.gz PTFLXHVYDUKPIE-LJQANCHMSA-N 1 0 374.462 2.054 20 30 FEEDRO COc1ccc([C@@H](CCO)[NH2+]CC(=O)N(C)C2(C#N)CCCCC2)cc1 ZINC000182392798 547483586 /nfs/dbraw/zinc/48/35/86/547483586.db2.gz DXOQPUWXDNNDCD-GOSISDBHSA-N 1 0 359.470 2.393 20 30 FEEDRO CCN(CC)C(=O)CCC1CC[NH+](CC(=O)N[C@@](C)(C#N)C(C)C)CC1 ZINC000182565875 547513992 /nfs/dbraw/zinc/51/39/92/547513992.db2.gz KPNUBJBFJKNYFE-FQEVSTJZSA-N 1 0 364.534 2.401 20 30 FEEDRO CCCNC(=O)[C@H]1CCC[N@@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000182718063 547540315 /nfs/dbraw/zinc/54/03/15/547540315.db2.gz GYMNPFJPWZQPEZ-PKOBYXMFSA-N 1 0 368.481 2.292 20 30 FEEDRO N#Cc1ccc(N2CCC[C@@H]([N@@H+]3CCC[C@H](C4OCCO4)C3)C2=O)cc1 ZINC000182742735 547545586 /nfs/dbraw/zinc/54/55/86/547545586.db2.gz USZUPTUWCNGAQH-FUHWJXTLSA-N 1 0 355.438 2.139 20 30 FEEDRO C=CC1CC[NH+](CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)CC1 ZINC000182776453 547551064 /nfs/dbraw/zinc/55/10/64/547551064.db2.gz SRVCENKGCQTUGU-FQEVSTJZSA-N 1 0 370.472 2.433 20 30 FEEDRO CC(C)[C@H](C#N)N1CCN(C(=O)C[NH2+][C@@H](Cc2ccccc2)C2CC2)CC1 ZINC000183402751 547652009 /nfs/dbraw/zinc/65/20/09/547652009.db2.gz CEHWCPSUTSTLKD-SFTDATJTSA-N 1 0 368.525 2.290 20 30 FEEDRO N#CCOc1ccccc1C(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000183419033 547655717 /nfs/dbraw/zinc/65/57/17/547655717.db2.gz SXXRKRXXNGHKMF-GOSISDBHSA-N 1 0 365.433 2.086 20 30 FEEDRO C[C@H]([NH2+]CC(=O)N(CCC#N)CCC#N)c1cccc(-n2cccn2)c1 ZINC000183606182 547688661 /nfs/dbraw/zinc/68/86/61/547688661.db2.gz GJUIQIHNRCQRTR-INIZCTEOSA-N 1 0 350.426 2.179 20 30 FEEDRO CNC(=O)[C@@H]([NH2+]CC(=O)Nc1ccccc1SC[C@@H](C)C#N)C(C)C ZINC000183660474 547697484 /nfs/dbraw/zinc/69/74/84/547697484.db2.gz AQNKZEGFUCHCLB-GUYCJALGSA-N 1 0 362.499 2.237 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2CC[C@H](C[NH+]3CCCC3)C2)c(Cl)c1 ZINC000183712818 547705662 /nfs/dbraw/zinc/70/56/62/547705662.db2.gz ADLRYWUOOHSJHD-CQSZACIVSA-N 1 0 353.875 2.318 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)c(Cl)c1 ZINC000183712839 547705713 /nfs/dbraw/zinc/70/57/13/547705713.db2.gz ADLRYWUOOHSJHD-AWEZNQCLSA-N 1 0 353.875 2.318 20 30 FEEDRO CC[C@H]1CN(CC(=O)N(CCC#N)CCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000183755377 547713528 /nfs/dbraw/zinc/71/35/28/547713528.db2.gz FQYPPSDHXKUICJ-FQEVSTJZSA-N 1 0 367.497 2.239 20 30 FEEDRO C#CCOc1ccccc1NC(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000184532409 547841742 /nfs/dbraw/zinc/84/17/42/547841742.db2.gz GZRYKUCDMGNBCJ-QGZVFWFLSA-N 1 0 369.465 2.114 20 30 FEEDRO C=CCOc1cc(OC)ccc1C(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000184618700 547855502 /nfs/dbraw/zinc/85/55/02/547855502.db2.gz URFOGLLQMHEUIR-KRWDZBQOSA-N 1 0 362.470 2.347 20 30 FEEDRO CC(C)(C)OC(=O)NC[C@H]([NH2+]CC(=O)Nc1cccc(C#N)c1)C1CC1 ZINC000185222005 547954380 /nfs/dbraw/zinc/95/43/80/547954380.db2.gz KDTSZPQKSCMPKN-INIZCTEOSA-N 1 0 358.442 2.390 20 30 FEEDRO COc1cc(C#N)ccc1S(=O)(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000185494069 547992137 /nfs/dbraw/zinc/99/21/37/547992137.db2.gz TWCCUFHTLAGEBE-CQSZACIVSA-N 1 0 365.499 2.356 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)c2cnn(-c3ccccc3)c2COC)CC1 ZINC000186287379 548113011 /nfs/dbraw/zinc/11/30/11/548113011.db2.gz ILYPWQIDYAJAOD-UHFFFAOYSA-N 1 0 354.454 2.399 20 30 FEEDRO CC(C)(C)OC(=O)N1CCN([C@H]2CCC[N@H+](CCCCC#N)C2)C(=O)C1 ZINC000186475259 548140989 /nfs/dbraw/zinc/14/09/89/548140989.db2.gz PKBUYRKBIBRXEJ-INIZCTEOSA-N 1 0 364.490 2.224 20 30 FEEDRO C[C@H]1CN(C(=O)Nc2cc(C#N)cn2C(C)(C)C)CC[N@@H+]1CC(C)(C)O ZINC000186938290 548223541 /nfs/dbraw/zinc/22/35/41/548223541.db2.gz UBLQQFCTGNOHTF-AWEZNQCLSA-N 1 0 361.490 2.424 20 30 FEEDRO CCOCCC[N@@H+]1CC[C@H](NCC(=O)NC2(C#N)CCCCC2)[C@H](C)C1 ZINC000187020446 548242906 /nfs/dbraw/zinc/24/29/06/548242906.db2.gz PMTPLFHHRGRTDD-MSOLQXFVSA-N 1 0 364.534 2.056 20 30 FEEDRO C#CCOc1ccccc1NC(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000187230644 548253487 /nfs/dbraw/zinc/25/34/87/548253487.db2.gz NJJAUZHHYGEPSD-UHFFFAOYSA-N 1 0 364.449 2.244 20 30 FEEDRO C=CCn1c(SCCN2CCO[C@H](C)C2)nc2sccc2c1=O ZINC000188231252 548274725 /nfs/dbraw/zinc/27/47/25/548274725.db2.gz VRYGFENQCJXUNO-GFCCVEGCSA-N 1 0 351.497 2.457 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(c3c(C)cc(C)cc3C)C2=O)CC1 ZINC000189930827 548314269 /nfs/dbraw/zinc/31/42/69/548314269.db2.gz DZGPMEIRUJESSU-IBGZPJMESA-N 1 0 367.493 2.179 20 30 FEEDRO C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000190026814 548316752 /nfs/dbraw/zinc/31/67/52/548316752.db2.gz DDHYHZDEEXVBPR-HOTGVXAUSA-N 1 0 370.453 2.003 20 30 FEEDRO COc1ccc(N2CCN(CCC[NH2+]Cc3cc(C#N)n(C)c3)CC2)cc1 ZINC000190703397 548332493 /nfs/dbraw/zinc/33/24/93/548332493.db2.gz NSLWOMPBYILLCO-UHFFFAOYSA-N 1 0 367.497 2.207 20 30 FEEDRO C=CCN(CCOC)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000190836652 548334884 /nfs/dbraw/zinc/33/48/84/548334884.db2.gz PLRFDSAQNBAKAM-IBGZPJMESA-N 1 0 361.486 2.122 20 30 FEEDRO C=CCN(CC=C)C(=O)C(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1C ZINC000193789794 548396740 /nfs/dbraw/zinc/39/67/40/548396740.db2.gz JNVGSXAPVGFABO-UHFFFAOYSA-N 1 0 370.497 2.276 20 30 FEEDRO N#Cc1c(F)cccc1N1CCN(C(=O)C2CC[NH+](C3CC3)CC2)CC1 ZINC000194210113 548450678 /nfs/dbraw/zinc/45/06/78/548450678.db2.gz DRHSRTMNSWDATE-UHFFFAOYSA-N 1 0 356.445 2.220 20 30 FEEDRO C[NH+]1CCN(Cc2ccc(CNC(=O)c3ccc(C#N)s3)cc2)CC1 ZINC000486787622 561356481 /nfs/dbraw/zinc/35/64/81/561356481.db2.gz LNGLSURPOIDDFT-UHFFFAOYSA-N 1 0 354.479 2.297 20 30 FEEDRO Cc1[nH]nc2ncc(C[NH2+][C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)cc12 ZINC000486868687 561358602 /nfs/dbraw/zinc/35/86/02/561358602.db2.gz NNCBHHYYCUDJSV-SFHVURJKSA-N 1 0 360.421 2.029 20 30 FEEDRO C#CCOc1ccc(C[NH2+]CC2(N3CCOCC3)CC(OCC)C2)cc1 ZINC000195460523 548643347 /nfs/dbraw/zinc/64/33/47/548643347.db2.gz GMCGWOBWQNBAOF-UHFFFAOYSA-N 1 0 358.482 2.058 20 30 FEEDRO C[C@H](C#N)Oc1ccc(C[NH2+]C[C@]2(N3CCOCC3)CCSC2)cc1 ZINC000237597134 548837474 /nfs/dbraw/zinc/83/74/74/548837474.db2.gz RMJZTWAHJZZJRA-VQIMIIECSA-N 1 0 361.511 2.275 20 30 FEEDRO C[NH+](C)CCOCCNC(=O)Nc1ccc(C#N)c(Br)c1 ZINC000487885648 561377948 /nfs/dbraw/zinc/37/79/48/561377948.db2.gz VCPDGFJTXBEEHO-UHFFFAOYSA-N 1 0 355.236 2.020 20 30 FEEDRO N#Cc1ccc(NC(=O)NCCNc2cc[nH+]cc2)cc1Br ZINC000487933258 561379179 /nfs/dbraw/zinc/37/91/79/561379179.db2.gz IIBXJXPIPOJFFP-UHFFFAOYSA-N 1 0 360.215 2.371 20 30 FEEDRO COc1cc(/C=C/C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)ccc1OCC#N ZINC000245447819 548924474 /nfs/dbraw/zinc/92/44/74/548924474.db2.gz MKBXARIDHXHDQI-CDFMYIFESA-N 1 0 355.438 2.306 20 30 FEEDRO C[N@@H+]1CCC[C@@H]2CN([C@H]3CCCN(c4ccc(C#N)cc4)C3=O)CC[C@@H]21 ZINC000245523712 548938106 /nfs/dbraw/zinc/93/81/06/548938106.db2.gz NAWYXHIMUBEXHO-HOJAQTOUSA-N 1 0 352.482 2.470 20 30 FEEDRO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)cc1 ZINC000245728354 548983999 /nfs/dbraw/zinc/98/39/99/548983999.db2.gz JBPCNYVDLRBOIT-IAGOWNOFSA-N 1 0 367.453 2.173 20 30 FEEDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)Nc1ccc(C#N)cc1F ZINC000245986446 549031342 /nfs/dbraw/zinc/03/13/42/549031342.db2.gz KHNQISBEWZDOAX-MJBXVCDLSA-N 1 0 360.433 2.118 20 30 FEEDRO C[C@H](O)CN1CCN(C(=O)Nc2cc(C#N)ccc2OC(F)F)C[C@H]1C ZINC000246069423 549045660 /nfs/dbraw/zinc/04/56/60/549045660.db2.gz SLOCRESUIPRLCU-NEPJUHHUSA-N 1 0 368.384 2.078 20 30 FEEDRO C=CCc1ccccc1OC[C@@H](O)CN1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC000488708918 561394866 /nfs/dbraw/zinc/39/48/66/561394866.db2.gz ACKNWRZPFFJRIM-NQIIRXRSSA-N 1 0 374.525 2.340 20 30 FEEDRO C=CCCCS(=O)(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000489109034 561403494 /nfs/dbraw/zinc/40/34/94/561403494.db2.gz HNPSPAIJNRYYAS-UHFFFAOYSA-N 1 0 365.543 2.474 20 30 FEEDRO C[C@@H](C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000248988359 549536518 /nfs/dbraw/zinc/53/65/18/549536518.db2.gz GSYFQKHWYPMIJD-RCJHGTSTSA-N 1 0 368.481 2.037 20 30 FEEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)[C@@H](C)C1 ZINC000249153465 549561321 /nfs/dbraw/zinc/56/13/21/549561321.db2.gz HVCZSYUCBRBEDD-BLLLJJGKSA-N 1 0 362.861 2.339 20 30 FEEDRO COCCO[C@@H]1CC[N@@H+]([C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1 ZINC000249363070 549583665 /nfs/dbraw/zinc/58/36/65/549583665.db2.gz LZYRYQFDOCYBPO-DHADLLTHSA-N 1 0 351.491 2.043 20 30 FEEDRO C[C@H]([NH2+][C@@H]1CCCC[C@H]1C(N)=O)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000249396055 549587851 /nfs/dbraw/zinc/58/78/51/549587851.db2.gz SWCFNCQDXMKXKF-IAOVAPTHSA-N 1 0 360.433 2.095 20 30 FEEDRO C[NH+]=C(NCc1ccc(C(=O)N(C)C)cc1)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000261620293 549735758 /nfs/dbraw/zinc/73/57/58/549735758.db2.gz HOTPLGTZCXXMKL-KSZLIROESA-N 1 0 370.497 2.011 20 30 FEEDRO C[NH+]=C(NCc1coc(-c2cccs2)n1)N1CCC[C@H](CC(N)=O)C1 ZINC000261750855 549751720 /nfs/dbraw/zinc/75/17/20/549751720.db2.gz LTCQKYGTKMABJN-GFCCVEGCSA-N 1 0 361.471 2.066 20 30 FEEDRO CC[NH+]=C(NC[C@](C)(O)c1ccco1)N1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000261931031 549771448 /nfs/dbraw/zinc/77/14/48/549771448.db2.gz BIOZPSMARGNFAK-BXWFABGCSA-N 1 0 359.474 2.232 20 30 FEEDRO C[NH+]=C(NCc1ncccc1C)N[C@@H]1CCN(c2ccccc2OC)C1 ZINC000261969852 549775337 /nfs/dbraw/zinc/77/53/37/549775337.db2.gz MMXYKSZEJLAFCL-MRXNPFEDSA-N 1 0 353.470 2.343 20 30 FEEDRO CCc1nn(C)c(CC)c1CNC(=[NH+]C)N1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000261995299 549778194 /nfs/dbraw/zinc/77/81/94/549778194.db2.gz SFVAGTFEMFHHRU-BEFAXECRSA-N 1 0 371.533 2.400 20 30 FEEDRO Cc1nnc(CNC(N[C@@H]2CCOc3ccccc32)=[NH+][C@@H]2C[C@@H]2C)n1C ZINC000262025748 549781715 /nfs/dbraw/zinc/78/17/15/549781715.db2.gz ZSRBOFZLNAGREH-APHBMKBZSA-N 1 0 354.458 2.091 20 30 FEEDRO C[C@@H](NC(NC[C@H]1CCS(=O)(=O)C1)=[NH+]C1CC1)c1ccc(F)c(F)c1 ZINC000262281576 549806070 /nfs/dbraw/zinc/80/60/70/549806070.db2.gz WQAGJAXUYBZHKG-VXGBXAGGSA-N 1 0 371.453 2.158 20 30 FEEDRO C=C(C)CNC(=[NH2+])NCCc1cn2cc(Br)cc(C)c2n1 ZINC000262356057 549813514 /nfs/dbraw/zinc/81/35/14/549813514.db2.gz HNIZVIXYGUPYEK-UHFFFAOYSA-N 1 0 350.264 2.428 20 30 FEEDRO Cc1ccsc1CNC(NC[C@H]1CCS(=O)(=O)C1)=[NH+]C1CCCC1 ZINC000262472719 549822936 /nfs/dbraw/zinc/82/29/36/549822936.db2.gz ZGZFSJRVRZNNGL-CQSZACIVSA-N 1 0 369.556 2.469 20 30 FEEDRO [NH2+]=C(NCCN1C(=O)Cc2ccccc21)N[C@@H]1CCOc2ccccc21 ZINC000262546842 549827522 /nfs/dbraw/zinc/82/75/22/549827522.db2.gz SFWKBSQFSKOONM-MRXNPFEDSA-N 1 0 350.422 2.004 20 30 FEEDRO C[NH+]=C(NCc1ccc(N2CCO[C@@H](C)C2)nc1)N1CCc2ccccc21 ZINC000263254790 549889694 /nfs/dbraw/zinc/88/96/94/549889694.db2.gz QFYYGPQNRDDIQY-INIZCTEOSA-N 1 0 365.481 2.445 20 30 FEEDRO CCN(CC)C(=O)CN1CCCN(c2snc(Cl)c2C#N)CC1 ZINC000263644351 549911520 /nfs/dbraw/zinc/91/15/20/549911520.db2.gz AGWXPKXKPUWWSL-UHFFFAOYSA-N 1 0 355.895 2.049 20 30 FEEDRO COc1ccc(NC(=[NH2+])NCCNC(=O)c2ccc(C)c(F)c2)cc1OC ZINC000264055032 549973206 /nfs/dbraw/zinc/97/32/06/549973206.db2.gz AIGKZSNCMBDGGI-UHFFFAOYSA-N 1 0 374.416 2.308 20 30 FEEDRO COc1ccc(CCNC(=[NH2+])NCc2cccc(C(=O)N(C)C)c2)cc1 ZINC000264071886 549975671 /nfs/dbraw/zinc/97/56/71/549975671.db2.gz DMPRVZDRMBXNMK-UHFFFAOYSA-N 1 0 354.454 2.044 20 30 FEEDRO COc1ccc(NC(=[NH2+])NC[C@@H](c2ccc(C)o2)N2CCOCC2)cc1 ZINC000264079355 549976885 /nfs/dbraw/zinc/97/68/85/549976885.db2.gz IFDDKQYUOCAWEP-KRWDZBQOSA-N 1 0 358.442 2.397 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)[C@H]2CC(=O)N([C@H](C)c3ccccc3)C2)CC1 ZINC000264370142 549995417 /nfs/dbraw/zinc/99/54/17/549995417.db2.gz JJFNUNXPIOJKFP-AEFFLSMTSA-N 1 0 355.482 2.363 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)Cc2nnn(-c3ccccc3)c2C)CC1 ZINC000264482986 549996581 /nfs/dbraw/zinc/99/65/81/549996581.db2.gz LVXFGLAZNAAQCB-UHFFFAOYSA-N 1 0 353.470 2.275 20 30 FEEDRO CC(C)[N@H+](C)CCCNC(=O)C(=O)Nc1ccccc1SCCC#N ZINC000264540208 549997708 /nfs/dbraw/zinc/99/77/08/549997708.db2.gz MHBUDOJJDXVXEE-UHFFFAOYSA-N 1 0 362.499 2.477 20 30 FEEDRO C#CCCOc1ccc(C[NH2+]C2CCN(CC(=O)NCCC)CC2)cc1 ZINC000264931014 550003537 /nfs/dbraw/zinc/00/35/37/550003537.db2.gz ASGXGOZOEYYRFW-UHFFFAOYSA-N 1 0 357.498 2.169 20 30 FEEDRO C#CCNC(=O)c1ccc(NC[C@H](c2cccc(OC)c2)[NH+](C)C)nc1 ZINC000264908738 550003628 /nfs/dbraw/zinc/00/36/28/550003628.db2.gz SVHKMWFZRFBLNU-GOSISDBHSA-N 1 0 352.438 2.168 20 30 FEEDRO CO/N=C/c1ccc(C(=O)N2CCN(C3=NCC(C)(C)S3)CC2)cc1 ZINC000266041179 550016161 /nfs/dbraw/zinc/01/61/61/550016161.db2.gz AVLHICJJSNFBPO-UDWIEESQSA-N 1 0 360.483 2.306 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N[C@@H](C)c2nc(-c3ccccc3OC)no2)CC1 ZINC000266356711 550019191 /nfs/dbraw/zinc/01/91/91/550019191.db2.gz DFRWYQMHXBRUOC-AWEZNQCLSA-N 1 0 368.437 2.268 20 30 FEEDRO CCC(CC)c1cc(CNC(=[NH2+])N2CCN(c3ncccn3)CC2)on1 ZINC000267463558 550031842 /nfs/dbraw/zinc/03/18/42/550031842.db2.gz VTZLOJVMASBZMR-UHFFFAOYSA-N 1 0 357.462 2.005 20 30 FEEDRO CS(=O)(=O)CC1(CNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)CC1 ZINC000267599662 550033768 /nfs/dbraw/zinc/03/37/68/550033768.db2.gz FJMZUFHIQRAWFW-UHFFFAOYSA-N 1 0 365.377 2.137 20 30 FEEDRO CCOC(=O)Cc1cccc(NC(=O)N(CCC#N)CCC[NH+](C)C)c1 ZINC000267948896 550036153 /nfs/dbraw/zinc/03/61/53/550036153.db2.gz SUGLXXGOKFSSKA-UHFFFAOYSA-N 1 0 360.458 2.491 20 30 FEEDRO N#CCOc1cccc(NC(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c1 ZINC000269231477 550170093 /nfs/dbraw/zinc/17/00/93/550170093.db2.gz XXOUYERVJMZSAB-QZTJIDSGSA-N 1 0 358.442 2.088 20 30 FEEDRO CC(C)[NH+]1CCC(N2CCN(C[C@H](O)c3ccc(C#N)cc3)CC2)CC1 ZINC000269393963 550190126 /nfs/dbraw/zinc/19/01/26/550190126.db2.gz XWCONTSBTRHVQV-NRFANRHFSA-N 1 0 356.514 2.082 20 30 FEEDRO CO/N=C/c1ccc(C(=O)Nc2ccc(N3CC[C@H]([NH+](C)C)C3)cn2)cc1 ZINC000269704687 550218630 /nfs/dbraw/zinc/21/86/30/550218630.db2.gz QLIRYPWKLAKQCU-YPKZHZFPSA-N 1 0 367.453 2.455 20 30 FEEDRO CCOc1ccc(N(CCC#N)C(=O)C[NH2+][C@H]2CCC[C@]2(C)CO)cc1 ZINC000493650086 561457282 /nfs/dbraw/zinc/45/72/82/561457282.db2.gz AYXGGEDUJNBTGU-AZUAARDMSA-N 1 0 359.470 2.473 20 30 FEEDRO C=CCCOCCNC(=O)N(C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000270430927 550271758 /nfs/dbraw/zinc/27/17/58/550271758.db2.gz IAGHLSNRZHDGKR-UHFFFAOYSA-N 1 0 360.502 2.323 20 30 FEEDRO N#Cc1ccc(CC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)cc1 ZINC000270572748 550285064 /nfs/dbraw/zinc/28/50/64/550285064.db2.gz BUPDJVMQBKEWNS-RTWAWAEBSA-N 1 0 363.461 2.100 20 30 FEEDRO N#CC1(c2ccccc2)CCC([NH2+]CCCN2CCC[C@H]2C(N)=O)CC1 ZINC000271093089 550339579 /nfs/dbraw/zinc/33/95/79/550339579.db2.gz XFRBCHUHSVVQLJ-SCCNAQOGSA-N 1 0 354.498 2.320 20 30 FEEDRO COc1cc(C)nc(CO[NH+]=C(N)c2ccc(N3CCC(O)CC3)cc2)c1 ZINC000271214703 550354094 /nfs/dbraw/zinc/35/40/94/550354094.db2.gz MYEXVAYRLUCKQD-UHFFFAOYSA-N 1 0 370.453 2.197 20 30 FEEDRO C=CCc1ccc(OC[C@H](O)C[N@H+](C)CCc2cnccn2)c(OC)c1 ZINC000271345256 550367232 /nfs/dbraw/zinc/36/72/32/550367232.db2.gz NSXXJHMWOKPOOG-GOSISDBHSA-N 1 0 357.454 2.128 20 30 FEEDRO C[C@H]([NH2+]CCCN1CCC[C@@H]1C(=O)N(C)C)c1ccc(OCC#N)cc1 ZINC000271810863 550403496 /nfs/dbraw/zinc/40/34/96/550403496.db2.gz AQGFYSOOLXWGGY-QFBILLFUSA-N 1 0 358.486 2.182 20 30 FEEDRO C[C@H]([NH2+]C[C@H](O)COc1ccc2c(c1)OCO2)c1ccc(OCC#N)cc1 ZINC000271850790 550405712 /nfs/dbraw/zinc/40/57/12/550405712.db2.gz RKKSLZFPPNIMQH-HOCLYGCPSA-N 1 0 370.405 2.408 20 30 FEEDRO C=CCN(CCc1ccco1)C(=O)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000272288096 550434507 /nfs/dbraw/zinc/43/45/07/550434507.db2.gz COSYPWZUNFWHOM-IBGZPJMESA-N 1 0 362.518 2.292 20 30 FEEDRO C[N@@H+]1CC[C@H]2CCN(C(=O)CCC(=O)N(CCC#N)c3ccccc3)[C@H]2C1 ZINC000272455887 550450026 /nfs/dbraw/zinc/45/00/26/550450026.db2.gz JYMAXLAEAXAMSJ-HKUYNNGSSA-N 1 0 368.481 2.266 20 30 FEEDRO COc1cc(/C=C/C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)ccc1OCC#N ZINC000272578287 550458902 /nfs/dbraw/zinc/45/89/02/550458902.db2.gz WAHMMYQRICCEHN-JSYWMUGDSA-N 1 0 355.438 2.163 20 30 FEEDRO COc1cc(/C=C/C(=O)N[C@H](C)C2=CC[N@H+](C)CC2)ccc1OCC#N ZINC000272657940 550463512 /nfs/dbraw/zinc/46/35/12/550463512.db2.gz GHYPSRRDNSIMMC-KEDPEKRHSA-N 1 0 355.438 2.377 20 30 FEEDRO C=CCS(=O)(=O)CC[NH2+][C@H](C)c1ccc(OCc2nccn2C)cc1 ZINC000272871276 550474564 /nfs/dbraw/zinc/47/45/64/550474564.db2.gz OQIDNXLCCUPWJB-OAHLLOKOSA-N 1 0 363.483 2.251 20 30 FEEDRO C#CCOc1ccccc1NC(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000274848260 550559486 /nfs/dbraw/zinc/55/94/86/550559486.db2.gz LYAZVNIIUBLLMJ-UHFFFAOYSA-N 1 0 357.454 2.465 20 30 FEEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCC(=O)N(CCC#N)CCC#N ZINC000274856980 550560030 /nfs/dbraw/zinc/56/00/30/550560030.db2.gz SNZBKDXBQBEGQK-UYAOXDASSA-N 1 0 367.497 2.143 20 30 FEEDRO C[NH+](C)CCc1ccccc1NC(=O)C(=O)N(CCC#N)Cc1ccco1 ZINC000275516579 550572522 /nfs/dbraw/zinc/57/25/22/550572522.db2.gz IRLOKVQXLPYGJW-UHFFFAOYSA-N 1 0 368.437 2.265 20 30 FEEDRO CCC(CC)CN(CCC#N)C(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000276164317 550577222 /nfs/dbraw/zinc/57/72/22/550577222.db2.gz RJEZWFJHCAZDGI-UHFFFAOYSA-N 1 0 368.441 2.384 20 30 FEEDRO COc1ccc(CNC(=[NH2+])N[C@@H](C)CNC(=O)OC(C)(C)C)cc1OC ZINC000276914589 550610525 /nfs/dbraw/zinc/61/05/25/550610525.db2.gz OATGVGUUTBGAHL-LBPRGKRZSA-N 1 0 366.462 2.021 20 30 FEEDRO N#Cc1ccc(NC(=O)C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)cc1Cl ZINC000277396206 550665358 /nfs/dbraw/zinc/66/53/58/550665358.db2.gz AZRAOPLWPUINII-HNNXBMFYSA-N 1 0 360.845 2.283 20 30 FEEDRO CS[C@H]1CN(S(=O)(=O)c2ccc(C#N)c(C)c2)C[C@H]1[NH+]1CCCC1 ZINC000277506533 550678447 /nfs/dbraw/zinc/67/84/47/550678447.db2.gz BDCFQBFNHMVGTB-SJORKVTESA-N 1 0 365.524 2.067 20 30 FEEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C2CCN(c3oc(C)nc3C#N)CC2)[C@H](C)C1 ZINC000277814435 550717309 /nfs/dbraw/zinc/71/73/09/550717309.db2.gz WNTASDPZDVKNIR-RDTXWAMCSA-N 1 0 373.501 2.260 20 30 FEEDRO CC[C@@H]([NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1)c1ccc(C#N)cc1 ZINC000278367426 550778023 /nfs/dbraw/zinc/77/80/23/550778023.db2.gz BWVHSCWTJHQWGQ-HZPDHXFCSA-N 1 0 364.492 2.495 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](c2cnn(C)c2)C(F)(F)F)CC1 ZINC000278470154 550789953 /nfs/dbraw/zinc/78/99/53/550789953.db2.gz ZEDNYVAJWRMHHZ-AWEZNQCLSA-N 1 0 359.396 2.363 20 30 FEEDRO C#CCOc1ccccc1CNC(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC000278532182 550796146 /nfs/dbraw/zinc/79/61/46/550796146.db2.gz ZYLUNHPXMJSLSM-QGZVFWFLSA-N 1 0 371.481 2.093 20 30 FEEDRO CCOC(=O)N1CC[C@@H]([NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000278729125 550815814 /nfs/dbraw/zinc/81/58/14/550815814.db2.gz UJKLVUJWALOALM-QGZVFWFLSA-N 1 0 368.441 2.179 20 30 FEEDRO N#CCCn1cc(C[NH+]2CCC3(CC2)OCCO3)c(-c2ccncc2)n1 ZINC000279378868 550883359 /nfs/dbraw/zinc/88/33/59/550883359.db2.gz JVHUIVMDYCAZIW-UHFFFAOYSA-N 1 0 353.426 2.198 20 30 FEEDRO C[C@H]1CN([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC2(CCOCC2)O1 ZINC000279695156 550917798 /nfs/dbraw/zinc/91/77/98/550917798.db2.gz GKUKUDWACFYTGD-LPHOPBHVSA-N 1 0 369.465 2.324 20 30 FEEDRO C[C@@H](O)C[C@H]1CCCCN1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000279806089 550931036 /nfs/dbraw/zinc/93/10/36/550931036.db2.gz POVNPGJHLJBMGI-CRAIPNDOSA-N 1 0 367.453 2.308 20 30 FEEDRO CC(C)[C@@](C)(C#N)NC(=O)CN1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000280518086 551002985 /nfs/dbraw/zinc/00/29/85/551002985.db2.gz RRVPPWZLGSTJJI-SVFBPWRDSA-N 1 0 354.498 2.105 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)CN1c2ccccc2OCC1=O)C(C)C ZINC000495917467 561491431 /nfs/dbraw/zinc/49/14/31/561491431.db2.gz MVMIFMPIBZLHRT-SFHVURJKSA-N 1 0 371.481 2.227 20 30 FEEDRO Cc1oc(C#N)cc1C(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000280619725 551014041 /nfs/dbraw/zinc/01/40/41/551014041.db2.gz RKNFMSHLZGSUCQ-UHFFFAOYSA-N 1 0 366.465 2.397 20 30 FEEDRO Cc1nc(C#N)c(N2CCC(C(=O)N(C)[C@H](C)C3CC[NH+](C)CC3)CC2)o1 ZINC000281067219 551059789 /nfs/dbraw/zinc/05/97/89/551059789.db2.gz DAKJAIXMUMPRTR-CQSZACIVSA-N 1 0 373.501 2.260 20 30 FEEDRO C=CCN1CC[C@H]([N@H+](C)C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)C1=O ZINC000281377520 551090069 /nfs/dbraw/zinc/09/00/69/551090069.db2.gz OXZVEFBXBKGTDO-HOTGVXAUSA-N 1 0 356.388 2.328 20 30 FEEDRO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000281857805 551149446 /nfs/dbraw/zinc/14/94/46/551149446.db2.gz RQUGYICTMNHZAW-VQIMIIECSA-N 1 0 358.486 2.326 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000281959056 551162560 /nfs/dbraw/zinc/16/25/60/551162560.db2.gz YMZXBLMXRMAJQQ-HKUYNNGSSA-N 1 0 358.486 2.326 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCc1ccccc1OCC[NH+](C)C ZINC000281973181 551164454 /nfs/dbraw/zinc/16/44/54/551164454.db2.gz ZJHXPGCYCHMYHY-MJGOQNOKSA-N 1 0 361.486 2.407 20 30 FEEDRO C[C@H](CC#N)N(C)S(=O)(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000282326694 551212160 /nfs/dbraw/zinc/21/21/60/551212160.db2.gz ARHABCTWKIPWFS-MRXNPFEDSA-N 1 0 364.515 2.062 20 30 FEEDRO C=CCn1c(-c2cccn2C)nnc1N1CC[NH+](CC2CCOCC2)CC1 ZINC000282445635 551230303 /nfs/dbraw/zinc/23/03/03/551230303.db2.gz ZVLOUQWTRHJGHU-UHFFFAOYSA-N 1 0 370.501 2.018 20 30 FEEDRO C=CCS(=O)(=O)CC[NH2+][C@H]1CC[C@H](C(=O)OCC)c2ccccc21 ZINC000282685076 551259666 /nfs/dbraw/zinc/25/96/66/551259666.db2.gz AHVUKAHJOSJAHS-IRXDYDNUSA-N 1 0 351.468 2.359 20 30 FEEDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2ccn(-c3cccc(C#N)c3)n2)C1 ZINC000282926651 551286238 /nfs/dbraw/zinc/28/62/38/551286238.db2.gz YFFJIDGMDUAXTR-KRWDZBQOSA-N 1 0 351.454 2.452 20 30 FEEDRO Cc1ccc([C@H](CNS(=O)(=O)N(C)[C@@H](C)CC#N)[NH+]2CCCC2)cc1 ZINC000282965389 551290879 /nfs/dbraw/zinc/29/08/79/551290879.db2.gz KTLUUWGGUCAGMD-WMZOPIPTSA-N 1 0 364.515 2.200 20 30 FEEDRO C#Cc1cc(F)c(NC(=O)C(=O)NCCC[NH+]2CCC(C)CC2)c(F)c1 ZINC000283052233 551303840 /nfs/dbraw/zinc/30/38/40/551303840.db2.gz VYIYPWDYRGNKJA-UHFFFAOYSA-N 1 0 363.408 2.123 20 30 FEEDRO CC(C)C[NH+]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C)CC1 ZINC000283085556 551309250 /nfs/dbraw/zinc/30/92/50/551309250.db2.gz HXSGBFWREALHDL-UHFFFAOYSA-N 1 0 354.458 2.044 20 30 FEEDRO C#Cc1cc(F)c(NC(=O)C(=O)NCC2(C[NH+](C)C)CCCC2)c(F)c1 ZINC000283357894 551352858 /nfs/dbraw/zinc/35/28/58/551352858.db2.gz SQJLACZPQWKNGE-UHFFFAOYSA-N 1 0 363.408 2.123 20 30 FEEDRO C=CCn1c(-c2cccnc2)nnc1N1CC[N@H+](CCOC)[C@@H](CCC)C1 ZINC000283675184 551407421 /nfs/dbraw/zinc/40/74/21/551407421.db2.gz ZXSVFHLSFDRSMU-SFHVURJKSA-N 1 0 370.501 2.463 20 30 FEEDRO C[N@@H+]1CCN(C[C@H](O)COc2ccc(C#N)cc2)C[C@H]1Cc1ccccc1 ZINC000283992914 551464129 /nfs/dbraw/zinc/46/41/29/551464129.db2.gz DECKJOXSNPWHJV-RTWAWAEBSA-N 1 0 365.477 2.157 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H](CC)c2ccccc2OCC)CC1 ZINC000283999971 551465061 /nfs/dbraw/zinc/46/50/61/551465061.db2.gz HUTTYWPYBSSWOV-SFHVURJKSA-N 1 0 373.497 2.419 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)c2c(F)cccc2F)CC1 ZINC000284021666 551469799 /nfs/dbraw/zinc/46/97/99/551469799.db2.gz OGZCWWQVPIBEHL-ZDUSSCGKSA-N 1 0 365.424 2.299 20 30 FEEDRO C=CCCO[C@H](C)C(=O)NCCC[N@@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000498119891 561516423 /nfs/dbraw/zinc/51/64/23/561516423.db2.gz UNXNJMHUZZJFCB-QUCCMNQESA-N 1 0 359.514 2.463 20 30 FEEDRO C=CCSc1ccccc1NC(=O)CN1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000284360780 551532335 /nfs/dbraw/zinc/53/23/35/551532335.db2.gz SUNDNZFPASKUKL-CYBMUJFWSA-N 1 0 374.466 2.459 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@H](c2ccccc2)C(C)C)CC1 ZINC000284369053 551534502 /nfs/dbraw/zinc/53/45/02/551534502.db2.gz XIFQABICGHWMPE-IBGZPJMESA-N 1 0 357.498 2.309 20 30 FEEDRO COc1ccc(C[N@@H+]2CCCN(C(=O)Cc3noc(C)c3C#N)CC2)cc1 ZINC000498502959 561526101 /nfs/dbraw/zinc/52/61/01/561526101.db2.gz KQYCEMCLTXGXFD-UHFFFAOYSA-N 1 0 368.437 2.140 20 30 FEEDRO N#Cc1ccc(NC(=O)CC[N@@H+]2CCO[C@@]3(CCCOC3)C2)cc1Cl ZINC000285296611 551733775 /nfs/dbraw/zinc/73/37/75/551733775.db2.gz KUWZQUJTYIMHPR-SFHVURJKSA-N 1 0 363.845 2.422 20 30 FEEDRO C=C(C)CN(Cc1ccccc1)C(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000285326044 551738720 /nfs/dbraw/zinc/73/87/20/551738720.db2.gz UBOAKRYWWWPVOI-GOSISDBHSA-N 1 0 355.482 2.192 20 30 FEEDRO N#CC1(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)CCOCC1 ZINC000285360297 551743769 /nfs/dbraw/zinc/74/37/69/551743769.db2.gz BLIFNXHNEOYRAZ-MRXNPFEDSA-N 1 0 363.408 2.333 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N[C@H](C)c2ccc(S(=O)(=O)CC)cc2)CC1 ZINC000285370812 551745393 /nfs/dbraw/zinc/74/53/93/551745393.db2.gz KECWOWGAHHHMSL-OAHLLOKOSA-N 1 0 362.495 2.003 20 30 FEEDRO N#Cc1ncn(CC[NH2+]Cc2cc(Br)ccc2OC(F)F)n1 ZINC000285484480 551763791 /nfs/dbraw/zinc/76/37/91/551763791.db2.gz LPTISQHDJHBHSY-UHFFFAOYSA-N 1 0 372.173 2.303 20 30 FEEDRO COC[C@](C)(C#N)NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC000285589356 551779502 /nfs/dbraw/zinc/77/95/02/551779502.db2.gz HSSKIPZLSVVWPJ-RDJZCZTQSA-N 1 0 351.397 2.189 20 30 FEEDRO CC(C)[C@@](C)(C#N)NC(=O)CN(C)CCc1nc(-c2ccccc2)no1 ZINC000286049348 551842893 /nfs/dbraw/zinc/84/28/93/551842893.db2.gz RAPAXUQKSSQWAL-LJQANCHMSA-N 1 0 355.442 2.265 20 30 FEEDRO C=CCN(CCc1ccco1)C(=O)C(=O)NC1CC[NH+](CCCC)CC1 ZINC000286082839 551846614 /nfs/dbraw/zinc/84/66/14/551846614.db2.gz YYZLANJRVXRLJU-UHFFFAOYSA-N 1 0 361.486 2.217 20 30 FEEDRO CCN(C[C@@H](C)C#N)C(=O)CN(C)CCc1nc(-c2ccccc2)no1 ZINC000286157407 551855378 /nfs/dbraw/zinc/85/53/78/551855378.db2.gz WDKZATHJAQCIAP-HNNXBMFYSA-N 1 0 355.442 2.219 20 30 FEEDRO 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FEEDRO N#Cc1cccc(OCC[N@H+]2CCC[C@H](CNC(=O)C(F)(F)F)C2)c1 ZINC000289472482 552327220 /nfs/dbraw/zinc/32/72/20/552327220.db2.gz NGVUYQJKDKUJSO-CQSZACIVSA-N 1 0 355.360 2.328 20 30 FEEDRO C=CCn1c(-c2ccccc2)nnc1N1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000289562900 552341417 /nfs/dbraw/zinc/34/14/17/552341417.db2.gz GEFNWGVAKREEPG-IBGZPJMESA-N 1 0 366.513 2.347 20 30 FEEDRO C=CCOc1ccc(C[N@@H+]2CCC[C@@H]2C[C@]2(C)NC(=O)NC2=O)cc1OC ZINC000289570273 552342872 /nfs/dbraw/zinc/34/28/72/552342872.db2.gz JMKNINBYVCHRIE-QRWLVFNGSA-N 1 0 373.453 2.213 20 30 FEEDRO C[NH+](C)CCN(CCCc1ccccc1)S(=O)(=O)c1cncc(C#N)c1 ZINC000289791152 552378750 /nfs/dbraw/zinc/37/87/50/552378750.db2.gz MJNNJCWFPIYWNR-UHFFFAOYSA-N 1 0 372.494 2.138 20 30 FEEDRO CC[C@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)c1ccc(OC)cc1 ZINC000290125091 552430941 /nfs/dbraw/zinc/43/09/41/552430941.db2.gz ZDXQBOLFPNHLMK-KRWDZBQOSA-N 1 0 359.451 2.476 20 30 FEEDRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)Nc2ccc(C#N)c(F)c2)C1 ZINC000290318988 552459480 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N#Cc1ccc(O[C@H]2CC[N@@H+](C[C@@H](O)COc3ccccc3Cl)C2)nc1 ZINC000292125451 552696208 /nfs/dbraw/zinc/69/62/08/552696208.db2.gz IHMCITCIWRHFGF-CVEARBPZSA-N 1 0 373.840 2.500 20 30 FEEDRO N#Cc1ccc(O[C@H]2CCN(C(=O)NC[C@@H]3CCCC[N@@H+]3C3CC3)C2)nc1 ZINC000292699927 552750615 /nfs/dbraw/zinc/75/06/15/552750615.db2.gz QOWUHHMDTPLMME-ROUUACIJSA-N 1 0 369.469 2.133 20 30 FEEDRO C#CCNC(=O)CC[N@@H+](CCC)C1CCN(C(=O)c2ccccc2)CC1 ZINC000292805327 552760236 /nfs/dbraw/zinc/76/02/36/552760236.db2.gz MPWVYNVUQYUVCZ-UHFFFAOYSA-N 1 0 355.482 2.143 20 30 FEEDRO C=CCCCS(=O)(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000293215063 552800053 /nfs/dbraw/zinc/80/00/53/552800053.db2.gz FGPOHVJJZCLBOG-UHFFFAOYSA-N 1 0 352.500 2.029 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(-c2ccncc2)c(C)c1 ZINC000293281531 552806720 /nfs/dbraw/zinc/80/67/20/552806720.db2.gz GDEUZQMZVQAHEF-UHFFFAOYSA-N 1 0 364.449 2.067 20 30 FEEDRO C[NH+](C)Cc1ccsc1C(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000293720083 552850134 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CC(C)C[N@@H+]1CCC[C@H](CNS(=O)(=O)Cc2ccc(F)cc2C#N)C1 ZINC000295209870 552970230 /nfs/dbraw/zinc/97/02/30/552970230.db2.gz UNECBBHLOHCVCC-OAHLLOKOSA-N 1 0 367.490 2.485 20 30 FEEDRO C[C@@H](c1ccc(C#N)cc1)[N@H+](C)CCN(C)c1ccc(S(N)(=O)=O)cc1 ZINC000295210476 552970314 /nfs/dbraw/zinc/97/03/14/552970314.db2.gz MCIOGMYSPSWOJD-HNNXBMFYSA-N 1 0 372.494 2.335 20 30 FEEDRO N#Cc1ccc(C[NH2+]C[C@@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)s1 ZINC000502060388 561611193 /nfs/dbraw/zinc/61/11/93/561611193.db2.gz IAOKGMHOWXRJGP-DLBZAZTESA-N 1 0 366.490 2.308 20 30 FEEDRO C=C(C)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2ccccn2)CC1 ZINC000296136016 553110545 /nfs/dbraw/zinc/11/05/45/553110545.db2.gz XKVIOHKBAHXQSF-MRXNPFEDSA-N 1 0 354.458 2.427 20 30 FEEDRO C#CC[N@@H+](C)CCCNC(=O)NCc1cc(OC)ccc1OC(F)F ZINC000296258159 553130611 /nfs/dbraw/zinc/13/06/11/553130611.db2.gz BVLJCNVDUYQPKX-UHFFFAOYSA-N 1 0 355.385 2.051 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)Nc2nnc(C3CCOCC3)s2)CC1 ZINC000296774435 553209880 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CN1CC[C@H]([NH+]2CCC(NC(=O)c3cnc(C(C)(C)C)s3)CC2)C1=O ZINC000329151374 553890169 /nfs/dbraw/zinc/89/01/69/553890169.db2.gz AWIFKMNYRDQXGZ-ZDUSSCGKSA-N 1 0 364.515 2.440 20 30 FEEDRO Cc1nn(C)c(C)c1[C@@H]1COCCN1C(=O)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000329166202 553893363 /nfs/dbraw/zinc/89/33/63/553893363.db2.gz HTMKGRIFMZYZND-XYPHTWIQSA-N 1 0 363.506 2.053 20 30 FEEDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCN(c4ccc(C#N)cc4F)C3)[C@@H]2C1 ZINC000329172283 553895083 /nfs/dbraw/zinc/89/50/83/553895083.db2.gz AFSJWWAVOFEITA-JTDSTZFVSA-N 1 0 356.445 2.076 20 30 FEEDRO CN(C)[C@@H](C(=O)NCC1([NH+]2CCCCC2)CCOCC1)c1cncn1C ZINC000329180387 553896759 /nfs/dbraw/zinc/89/67/59/553896759.db2.gz DJYXCVYGEPOMJH-QGZVFWFLSA-N 1 0 363.506 2.014 20 30 FEEDRO C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)N1CCO[C@H](Cn2cncn2)C1 ZINC000329189984 553898751 /nfs/dbraw/zinc/89/87/51/553898751.db2.gz RQSOTKFJMCFBPH-MOAASNJQSA-N 1 0 373.501 2.293 20 30 FEEDRO CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000329194884 553899940 /nfs/dbraw/zinc/89/99/40/553899940.db2.gz UYNKMFOCVGZBLA-GOEBONIOSA-N 1 0 357.520 2.164 20 30 FEEDRO C[NH+](C)[C@H](CNC(=O)N1CCC[C@@H]1[C@@H]1COCC[C@H]1O)c1cccs1 ZINC000329203594 553901657 /nfs/dbraw/zinc/90/16/57/553901657.db2.gz CSXJMJWORQIQKN-ZJIFWQFVSA-N 1 0 367.515 2.127 20 30 FEEDRO CC[N@@H+]1C[C@H](C)N(C(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)C[C@H]1C ZINC000329221445 553905550 /nfs/dbraw/zinc/90/55/50/553905550.db2.gz UURRANMYMQSGTD-VYDXJSESSA-N 1 0 358.461 2.465 20 30 FEEDRO CO[C@@H]1C[C@H](NC(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)C1(C)C ZINC000329262012 553912719 /nfs/dbraw/zinc/91/27/19/553912719.db2.gz DENUWKYXTFRYTN-WCXIOVBPSA-N 1 0 353.507 2.071 20 30 FEEDRO C[C@H](NC(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1)c1cncc(F)c1 ZINC000329273785 553914796 /nfs/dbraw/zinc/91/47/96/553914796.db2.gz AVICRINDUMICQZ-YJBOKZPZSA-N 1 0 363.481 2.298 20 30 FEEDRO CCOC1CC2(C1)CCN(C(=O)NC1CC[NH+]([C@@H]3CCC[C@H]3O)CC1)C2 ZINC000329284618 553917681 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2.116 20 30 FEEDRO CN(C)c1ncc(CN(C)C(=O)NC2CC[NH+](C3CCCC3)CC2)cn1 ZINC000329376138 553934375 /nfs/dbraw/zinc/93/43/75/553934375.db2.gz LEWYOSVTPAYYEX-UHFFFAOYSA-N 1 0 360.506 2.295 20 30 FEEDRO C[C@H](NC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)[C@H]1CCCOC1 ZINC000329384103 553935287 /nfs/dbraw/zinc/93/52/87/553935287.db2.gz PDMIIWSYULHRTH-ONIAQPFYSA-N 1 0 353.507 2.073 20 30 FEEDRO COC1(C)CCN(C(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2ccnn2C)CC1 ZINC000329432712 553945820 /nfs/dbraw/zinc/94/58/20/553945820.db2.gz IDZJCBDFBLUFHE-DOTOQJQBSA-N 1 0 363.506 2.218 20 30 FEEDRO CCO[C@@H]1C[C@H](NC(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C)C12CCOCC2 ZINC000329477823 553953881 /nfs/dbraw/zinc/95/38/81/553953881.db2.gz OKUANFHQJUSCIJ-ZJPYXAASSA-N 1 0 365.518 2.433 20 30 FEEDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1ccc(=O)n(-c2cnn(C)c2)c1 ZINC000329509251 553959464 /nfs/dbraw/zinc/95/94/64/553959464.db2.gz JPMYELVPAIIOPS-OWCLPIDISA-N 1 0 371.485 2.242 20 30 FEEDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1OCC(=O)N(C)[C@@H]1c1ccccc1 ZINC000329510342 553960227 /nfs/dbraw/zinc/96/02/27/553960227.db2.gz KAKKQHJKHOGOPI-BHIYHBOVSA-N 1 0 359.470 2.416 20 30 FEEDRO O=C(CCNC(=O)C1CCCCC1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000329631863 553979619 /nfs/dbraw/zinc/97/96/19/553979619.db2.gz WDAPFWLOFWIMKQ-MRXNPFEDSA-N 1 0 351.491 2.094 20 30 FEEDRO CC[C@H](C)[NH2+][C@@H](CNC(=O)C(=O)Nc1ccc(F)c(C#N)c1)c1ccco1 ZINC000506947364 561712284 /nfs/dbraw/zinc/71/22/84/561712284.db2.gz DFLNUOXWYUKSLY-LRDDRELGSA-N 1 0 372.400 2.474 20 30 FEEDRO CCC1(CC)CN(C(=O)NC2CC([NH+]3CCCCC3)C2)CCS1(=O)=O ZINC000329685776 553988706 /nfs/dbraw/zinc/98/87/06/553988706.db2.gz BBPMLSHJFDRGPC-UHFFFAOYSA-N 1 0 371.547 2.207 20 30 FEEDRO Cc1ccc(N2CCC[C@H](NC(=O)NC[C@H](C)[N@@H+]3CCC[C@@H](C)C3)C2)nn1 ZINC000329699578 553991175 /nfs/dbraw/zinc/99/11/75/553991175.db2.gz ZDPYURHHQWQSPT-NJAFHUGGSA-N 1 0 374.533 2.378 20 30 FEEDRO C[NH+](C)CCC1CCN(C(=O)NC2CCC3(CC2)NC(=O)NC3=O)CC1 ZINC000329719104 553994993 /nfs/dbraw/zinc/99/49/93/553994993.db2.gz ZXCROADMSJGHPM-UHFFFAOYSA-N 1 0 365.478 2.130 20 30 FEEDRO CCN1CCN(C(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)CC1=O ZINC000329722137 553995357 /nfs/dbraw/zinc/99/53/57/553995357.db2.gz AXLOJRJUNZGPPY-UHFFFAOYSA-N 1 0 350.507 2.108 20 30 FEEDRO C[NH+](C)C[C@@H]1CN(C(=O)N[C@@H]2c3ccccc3CC23CCOCC3)CCO1 ZINC000329721908 553995501 /nfs/dbraw/zinc/99/55/01/553995501.db2.gz FDRRUFDERBVTQA-IEBWSBKVSA-N 1 0 373.497 2.257 20 30 FEEDRO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)N2C([O-])=[NH+][C@@H]1CCc2nc[nH]c2C1 ZINC000329727842 553996251 /nfs/dbraw/zinc/99/62/51/553996251.db2.gz GZJZJANEPMDBRV-KFWWJZLASA-N 1 0 352.442 2.235 20 30 FEEDRO O=C(NCC1([NH+]2CCCC2)CCOCC1)N[C@@H]1CCO[C@H](C2CC2)C1 ZINC000329730824 553996517 /nfs/dbraw/zinc/99/65/17/553996517.db2.gz HZELIKLIJOXZFL-SJORKVTESA-N 1 0 351.491 2.093 20 30 FEEDRO C[C@H](CCNC(=O)N1CCN(Cc2cscn2)CC1)[NH+]1CCCCC1 ZINC000329760776 554001356 /nfs/dbraw/zinc/00/13/56/554001356.db2.gz QPXHAZUMTGNTAC-MRXNPFEDSA-N 1 0 365.547 2.439 20 30 FEEDRO C[C@@H](CNC(=O)Nc1ncn(C(C)(C)C)n1)[N@@H+]1CCc2ccccc2C1 ZINC000329764917 554001828 /nfs/dbraw/zinc/00/18/28/554001828.db2.gz WJAUJZIDNRUEJS-AWEZNQCLSA-N 1 0 356.474 2.806 20 30 FEEDRO Cc1ccc(N2CCC[C@H](NC(=O)N(C)[C@@H]3CC[N@H+](C)[C@@H](C)C3)C2)nn1 ZINC000329779589 554004828 /nfs/dbraw/zinc/00/48/28/554004828.db2.gz RCPRWYHGJRJDOU-YESZJQIVSA-N 1 0 360.506 2.082 20 30 FEEDRO Cc1nc(C)c(NC(=O)N2CCC(C[NH+]3CCN(C)CC3)CC2)s1 ZINC000329799640 554008164 /nfs/dbraw/zinc/00/81/64/554008164.db2.gz IFUCNLWHNUKRFQ-UHFFFAOYSA-N 1 0 351.520 2.265 20 30 FEEDRO CC(C)N1C[C@H](NC(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1=O ZINC000329894447 554026601 /nfs/dbraw/zinc/02/66/01/554026601.db2.gz BIQFPNNCMUHIQT-QZTJIDSGSA-N 1 0 358.486 2.021 20 30 FEEDRO CCC[N@@H+]1CC[C@H](CNC(=O)N2CCO[C@@H](c3nnc(C(C)C)o3)C2)C1 ZINC000329932587 554034214 /nfs/dbraw/zinc/03/42/14/554034214.db2.gz IUQRPPZTJIRUOS-HUUCEWRRSA-N 1 0 365.478 2.212 20 30 FEEDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000329941532 554036221 /nfs/dbraw/zinc/03/62/21/554036221.db2.gz CFFHCWILWDQMAC-JTDSTZFVSA-N 1 0 353.507 2.291 20 30 FEEDRO CC1CC[NH+](Cc2ccc(CNC(=O)N[C@@H]3CC[S@@](=O)C3)cc2)CC1 ZINC000329998458 554046804 /nfs/dbraw/zinc/04/68/04/554046804.db2.gz SHORFNQBPPJPQQ-IQGLISFBSA-N 1 0 363.527 2.443 20 30 FEEDRO CN(C)c1ncn(-c2cccc(NC(=O)N(C)C[C@@H]3CCC[N@H+](C)C3)c2)n1 ZINC000330004039 554047969 /nfs/dbraw/zinc/04/79/69/554047969.db2.gz CFTUFZSZBQDVLS-OAHLLOKOSA-N 1 0 371.489 2.152 20 30 FEEDRO CCS(=O)(=O)N1CCC[C@H](C(=O)NC2CC([NH+]3CCCCC3)C2)C1 ZINC000330041816 554053410 /nfs/dbraw/zinc/05/34/10/554053410.db2.gz DJFKEPIQTMEKQT-FHERZECASA-N 1 0 357.520 2.022 20 30 FEEDRO C[NH+](C)[C@H](CNC(=O)N1CC[C@H](N2CCCC2=O)C1)C1CCCCC1 ZINC000330072166 554059618 /nfs/dbraw/zinc/05/96/18/554059618.db2.gz YUUAXNSMSIJIJQ-DLBZAZTESA-N 1 0 350.507 2.108 20 30 FEEDRO CC(=O)N1CCc2cc(NC(=O)NC[C@]3([NH+](C)C)CCSC3)ccc21 ZINC000330088497 554062151 /nfs/dbraw/zinc/06/21/51/554062151.db2.gz UTNKYQWOGNAGFT-GOSISDBHSA-N 1 0 362.499 2.359 20 30 FEEDRO CC(C)(CNC(=O)N1CCC(N2CCCC2=O)CC1)C[NH+]1CCCC1 ZINC000330115743 554067409 /nfs/dbraw/zinc/06/74/09/554067409.db2.gz UHSNSFSPTCXMSO-UHFFFAOYSA-N 1 0 350.507 2.109 20 30 FEEDRO C[C@@H]1CCCCN(C(=O)Nc2ccnc(C(=O)N3CCN(C)CC3)c2)C1 ZINC000330171725 554077775 /nfs/dbraw/zinc/07/77/75/554077775.db2.gz XNOZMKMKESQWSD-OAHLLOKOSA-N 1 0 359.474 2.137 20 30 FEEDRO C[C@]12CCN(C(=O)NC3CC[NH+]([C@@H]4CCC[C@@H]4O)CC3)C[C@H]1C2(F)F ZINC000330207163 554085496 /nfs/dbraw/zinc/08/54/96/554085496.db2.gz FTHHZKOUZGUMKL-DLTWYDFYSA-N 1 0 357.445 2.255 20 30 FEEDRO CC[NH+]1CCN([C@@H]2CCN(C(=O)Nc3nccn3-c3ccccc3)C2)CC1 ZINC000330234471 554090589 /nfs/dbraw/zinc/09/05/89/554090589.db2.gz GLKQCUZJCGNMNJ-GOSISDBHSA-N 1 0 368.485 2.130 20 30 FEEDRO C[C@@H](CCNC(=O)N1C[C@@H](C)O[C@]2(CCCOC2)C1)[NH+]1CCCCC1 ZINC000330236693 554090802 /nfs/dbraw/zinc/09/08/02/554090802.db2.gz AHCDUNMFUUOAQK-YQVWRLOYSA-N 1 0 353.507 2.435 20 30 FEEDRO CN(C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)C1Cc2ccccc2C1 ZINC000330245258 554092484 /nfs/dbraw/zinc/09/24/84/554092484.db2.gz XQDZEJBUXZVYLD-WOJBJXKFSA-N 1 0 357.498 2.377 20 30 FEEDRO CC(C)c1cc(NC(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)no1 ZINC000330250559 554092761 /nfs/dbraw/zinc/09/27/61/554092761.db2.gz HAPYNYXAICUGGU-CABCVRRESA-N 1 0 350.463 2.892 20 30 FEEDRO CS(=O)(=O)[C@@H]1CCCC[C@H]1NC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000330255121 554093920 /nfs/dbraw/zinc/09/39/20/554093920.db2.gz JTSJYKCWDUBQQH-BRWVUGGUSA-N 1 0 371.547 2.207 20 30 FEEDRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)N[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000330268718 554096382 /nfs/dbraw/zinc/09/63/82/554096382.db2.gz RILUOZCBZYVVDX-BZUAXINKSA-N 1 0 359.536 2.062 20 30 FEEDRO Cc1ccn2cc(CNC(=O)N3CC[N@H+](C4CCOCC4)C[C@@H]3C)nc2c1 ZINC000330269945 554096634 /nfs/dbraw/zinc/09/66/34/554096634.db2.gz SQBQUDFHMFOSOZ-INIZCTEOSA-N 1 0 371.485 2.242 20 30 FEEDRO CC[C@@H](NC(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C)C1CCOCC1 ZINC000330271558 554096924 /nfs/dbraw/zinc/09/69/24/554096924.db2.gz WCLVECOAPFNDOM-CRAIPNDOSA-N 1 0 353.507 2.291 20 30 FEEDRO CN(C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1)[C@@H]1CCCC[C@H]1O ZINC000330277268 554098326 /nfs/dbraw/zinc/09/83/26/554098326.db2.gz NZSBCKJLSNURKU-QZTJIDSGSA-N 1 0 367.534 2.418 20 30 FEEDRO C[C@H](CNC(=O)N[C@@H]1CCO[C@@H](c2cncn2C)C1)[NH+]1CCC(C)CC1 ZINC000330322016 554105061 /nfs/dbraw/zinc/10/50/61/554105061.db2.gz GMNZTNKSYFYMFL-JFIYKMOQSA-N 1 0 363.506 2.264 20 30 FEEDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)N[C@@H]1CCO[C@H](C2CC2)C1 ZINC000330325416 554105428 /nfs/dbraw/zinc/10/54/28/554105428.db2.gz UPLINMHSFSGCKD-KYJSFNMBSA-N 1 0 351.491 2.043 20 30 FEEDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCC[C@H](CNC(N)=O)C1 ZINC000330480593 554126624 /nfs/dbraw/zinc/12/66/24/554126624.db2.gz NWEAXDLCTJDYDS-XUWVNRHRSA-N 1 0 353.511 2.061 20 30 FEEDRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N2CCC[C@@H](CNC(N)=O)C2)C1 ZINC000330483797 554127420 /nfs/dbraw/zinc/12/74/20/554127420.db2.gz VOJCXGGWKIGYJZ-XHSDSOJGSA-N 1 0 367.538 2.451 20 30 FEEDRO C[C@@H](O)C[N@@H+]1CCN(C(=O)Nc2ccc(OC(F)F)c(F)c2)[C@@H](C)C1 ZINC000330541963 554135527 /nfs/dbraw/zinc/13/55/27/554135527.db2.gz WTFKNCWAJQKVNR-WDEREUQCSA-N 1 0 361.364 2.360 20 30 FEEDRO CC(=O)N1CCC(CNC(=O)NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)CC1 ZINC000330635542 554149240 /nfs/dbraw/zinc/14/92/40/554149240.db2.gz MSIBNAKKZSRTTO-BEFAXECRSA-N 1 0 352.523 2.259 20 30 FEEDRO CO[C@H](c1ccccc1F)[C@@H](C)NC(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000330664868 554153506 /nfs/dbraw/zinc/15/35/06/554153506.db2.gz GPIOZCHTWYUIGQ-PBHICJAKSA-N 1 0 367.465 2.204 20 30 FEEDRO CC[C@@H]1CN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC[N@@H+]1C[C@@H](C)O ZINC000330986589 554197414 /nfs/dbraw/zinc/19/74/14/554197414.db2.gz RAWWBYWYOQILEV-BXUZGUMPSA-N 1 0 354.382 2.056 20 30 FEEDRO COC1(CNC(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)CCC(C)CC1 ZINC000331049500 554206181 /nfs/dbraw/zinc/20/61/81/554206181.db2.gz HPGADAMUWWYDHO-WUJZJPHMSA-N 1 0 355.523 2.273 20 30 FEEDRO CC[C@@H](C)n1ncc(NC(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)c1C ZINC000331168563 554224798 /nfs/dbraw/zinc/22/47/98/554224798.db2.gz YWFBMSQLGJQLER-KGLIPLIRSA-N 1 0 351.495 2.485 20 30 FEEDRO C=CCn1c(-c2cccn2C)nnc1N1CC[N@H+](CCOC)[C@H](CCC)C1 ZINC000508707997 561770196 /nfs/dbraw/zinc/77/01/96/561770196.db2.gz ZFIHRIQZAUUKLA-QGZVFWFLSA-N 1 0 372.517 2.407 20 30 FEEDRO CN(C)S(=O)(=O)c1cccc(C(=O)NC2CCC(C[NH+](C)C)CC2)c1 ZINC000331280027 554240584 /nfs/dbraw/zinc/24/05/84/554240584.db2.gz TZOGAPNRJCBLAV-UHFFFAOYSA-N 1 0 367.515 2.362 20 30 FEEDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NS(=O)(=O)Cc1cc(C#N)ccc1F ZINC000331290632 554242427 /nfs/dbraw/zinc/24/24/27/554242427.db2.gz KFQRQACNMGLNDH-KGLIPLIRSA-N 1 0 353.463 2.237 20 30 FEEDRO CC(C)N(C)c1ccccc1CNC(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000331337867 554248262 /nfs/dbraw/zinc/24/82/62/554248262.db2.gz ZROYATAQWOWXBI-UHFFFAOYSA-N 1 0 362.518 2.334 20 30 FEEDRO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000331406977 554259177 /nfs/dbraw/zinc/25/91/77/554259177.db2.gz ULXFKLDGWZOOSU-NVXWUHKLSA-N 1 0 354.454 2.220 20 30 FEEDRO CC[NH+](CC)[C@H]1CCN(C(=O)[C@H]2CCCN(c3nc(C)ccc3C#N)C2)C1 ZINC000331516784 554278531 /nfs/dbraw/zinc/27/85/31/554278531.db2.gz DLYVNKRSALGPEV-OALUTQOASA-N 1 0 369.513 2.421 20 30 FEEDRO CS[C@@H]1CN(C(=O)[C@H](C)Oc2ccc(C#N)cc2)C[C@@H]1[NH+]1CCCC1 ZINC000331543534 554282890 /nfs/dbraw/zinc/28/28/90/554282890.db2.gz IFGRIUZATLCPQT-JCGIZDLHSA-N 1 0 359.495 2.364 20 30 FEEDRO CN(C)C1(C#N)CCN(C(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)CC1 ZINC000331594546 554291287 /nfs/dbraw/zinc/29/12/87/554291287.db2.gz NDLSHIGTRXHQSV-SFHVURJKSA-N 1 0 361.534 2.413 20 30 FEEDRO CC[NH+](CC)[C@@H](CNS(=O)(=O)N(C)[C@@H](C)CC#N)Cc1ccccc1 ZINC000509420932 561798862 /nfs/dbraw/zinc/79/88/62/561798862.db2.gz YSURTONXBIHKAG-FUHWJXTLSA-N 1 0 366.531 2.008 20 30 FEEDRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)Cc2c(F)cccc2C#N)CC1 ZINC000509502405 561802855 /nfs/dbraw/zinc/80/28/55/561802855.db2.gz XMRKQPUUENMEHV-IAGOWNOFSA-N 1 0 372.488 2.257 20 30 FEEDRO N#Cc1cc(S(=O)(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)ccc1C(F)(F)F ZINC000332322174 554425184 /nfs/dbraw/zinc/42/51/84/554425184.db2.gz ZUFBUWNETWDOTJ-LSDHHAIUSA-N 1 0 373.400 2.482 20 30 FEEDRO C[C@@H](CC#N)N(C)S(=O)(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1 ZINC000510098427 561824980 /nfs/dbraw/zinc/82/49/80/561824980.db2.gz GJPWQLYQKCKRCB-AWEZNQCLSA-N 1 0 372.922 2.182 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000333056408 554565769 /nfs/dbraw/zinc/56/57/69/554565769.db2.gz CMTZQBABXFQSRQ-RWQQGDIJSA-N 1 0 365.518 2.251 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](C)C(=O)N2CCCC[C@H]2C)CC1 ZINC000334005381 554667427 /nfs/dbraw/zinc/66/74/27/554667427.db2.gz UUWOTYVHAXGNOI-CVEARBPZSA-N 1 0 350.507 2.116 20 30 FEEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(-n2cc(C)cn2)c(F)c1 ZINC000361439236 554921452 /nfs/dbraw/zinc/92/14/52/554921452.db2.gz CBWOBFFEBUIZRD-UONOGXRCSA-N 1 0 373.432 2.371 20 30 FEEDRO C=CCN(CC=C)C(=O)C[NH2+][C@@](C)(CO)c1ccc(Br)cc1 ZINC000511551293 561872269 /nfs/dbraw/zinc/87/22/69/561872269.db2.gz CWBRJSLIKUJSOJ-KRWDZBQOSA-N 1 0 367.287 2.447 20 30 FEEDRO Cc1ccc(NC(=O)N2CCN(C3CC3)[C@H](C#N)C2)c(OCC[NH+](C)C)c1 ZINC000362915861 554998869 /nfs/dbraw/zinc/99/88/69/554998869.db2.gz HWTFODQZJULGLV-QGZVFWFLSA-N 1 0 371.485 2.140 20 30 FEEDRO CCc1nc(CN2CCC[C@@H]([N@H+](C)CCOc3cccc(C#N)c3)C2)no1 ZINC000363077241 555025392 /nfs/dbraw/zinc/02/53/92/555025392.db2.gz KLTUETFDJWLTEU-QGZVFWFLSA-N 1 0 369.469 2.479 20 30 FEEDRO N#Cc1ccc2ncc(C[NH2+][C@@H]3CCCN(c4ccccc4C(N)=O)C3)n2c1 ZINC000363183475 555047947 /nfs/dbraw/zinc/04/79/47/555047947.db2.gz XJEZCBQUXIQOCH-MRXNPFEDSA-N 1 0 374.448 2.063 20 30 FEEDRO N#Cc1cnn(-c2ccc(C(=O)N3CCC[C@H]([NH+]4CCCC4)C3)cc2)c1N ZINC000363187031 555048946 /nfs/dbraw/zinc/04/89/46/555048946.db2.gz CRBMEYSLEFXZOM-SFHVURJKSA-N 1 0 364.453 2.027 20 30 FEEDRO N#Cc1ccc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CCCCCC3)C2)cc1 ZINC000363196868 555050891 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367.497 2.405 20 30 FEEDRO C=CC[C@@H](CC)NC(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000514246004 561965438 /nfs/dbraw/zinc/96/54/38/561965438.db2.gz GFBDELGNVNLQJZ-QGZVFWFLSA-N 1 0 360.506 2.033 20 30 FEEDRO COCCOCc1ccc(C[NH+]2CCC(n3cnc(C#N)n3)CC2)cc1 ZINC000367321541 556017856 /nfs/dbraw/zinc/01/78/56/556017856.db2.gz HRACGYCKCSOKJZ-UHFFFAOYSA-N 1 0 355.442 2.150 20 30 FEEDRO C[C@H]1c2nnc(C3CCCC3)n2CCN1N(CCC#N)CCC[NH+](C)C ZINC000367575145 556087540 /nfs/dbraw/zinc/08/75/40/556087540.db2.gz KBKGBOICYIMRCY-INIZCTEOSA-N 1 0 359.522 2.395 20 30 FEEDRO COCCc1noc(CN2CCC(Oc3ccc(C#N)cc3F)CC2)n1 ZINC000367607623 556096185 /nfs/dbraw/zinc/09/61/85/556096185.db2.gz XOWNVSMSUOBRTL-UHFFFAOYSA-N 1 0 360.389 2.313 20 30 FEEDRO N#C[C@@]1(C(=O)NCCCC[N@H+]2CCC[C@H]2CO)CCc2ccccc2C1 ZINC000367699568 556117897 /nfs/dbraw/zinc/11/78/97/556117897.db2.gz QYVMDKLSZQYWJF-PZJWPPBQSA-N 1 0 355.482 2.038 20 30 FEEDRO C[N@@H+]1C[C@@H]2CN(S(=O)(=O)CCC(C)(C)C#N)C[C@@H]2[C@@H]1c1ccccc1 ZINC000367708605 556119795 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353.466 2.207 20 30 FEEDRO COc1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)cc1OCCCC#N ZINC000368976609 556465342 /nfs/dbraw/zinc/46/53/42/556465342.db2.gz XTCSNDAIHJFERV-FRQCXROJSA-N 1 0 357.454 2.464 20 30 FEEDRO CC(C)(C#N)CCC[N@@H+]1CCC[C@@H](n2ncc(N3CCOCC3)cc2=O)C1 ZINC000369030790 556482027 /nfs/dbraw/zinc/48/20/27/556482027.db2.gz MZOPBURCYUHCIC-QGZVFWFLSA-N 1 0 373.501 2.047 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)s1 ZINC000369179547 556527281 /nfs/dbraw/zinc/52/72/81/556527281.db2.gz SXCREYVYZCJENQ-WFASDCNBSA-N 1 0 351.497 2.257 20 30 FEEDRO C=CCNC(=O)C[NH2+][C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000369310964 556571135 /nfs/dbraw/zinc/57/11/35/556571135.db2.gz DCSMOYQBVLBTDG-CJNGLKHVSA-N 1 0 356.253 2.157 20 30 FEEDRO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+]1C[C@H]2CCC[C@@H](C1)C2O ZINC000369378066 556585000 /nfs/dbraw/zinc/58/50/00/556585000.db2.gz POQNCMDYTGJMMC-BXVXDWSXSA-N 1 0 371.481 2.423 20 30 FEEDRO Cc1ccc(NC(=O)CC[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)nc1 ZINC000516172156 562033815 /nfs/dbraw/zinc/03/38/15/562033815.db2.gz GSEOQQYCGICYQY-MRXNPFEDSA-N 1 0 351.410 2.139 20 30 FEEDRO N#Cc1ccc(OC[C@H](O)C[NH2+][C@H]2c3ccccc3CC[C@H]2CO)cc1 ZINC000369557990 556630983 /nfs/dbraw/zinc/63/09/83/556630983.db2.gz BQGVTYXEBQNBGT-WAOWUJCRSA-N 1 0 352.434 2.184 20 30 FEEDRO C=C(C)[C@H]1OCCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cnn(C)c1 ZINC000369662217 556662606 /nfs/dbraw/zinc/66/26/06/556662606.db2.gz GOHBKXWOESVTOZ-OQIJWPOYSA-N 1 0 360.502 2.291 20 30 FEEDRO Cc1cc(=NC(=O)N[C@H]2c3ccccc3CC[C@H]2[NH+](C)C)[nH]n1CCC#N ZINC000369851416 556712503 /nfs/dbraw/zinc/71/25/03/556712503.db2.gz JJNKSILXBCDSRT-MJGOQNOKSA-N 1 0 366.469 2.844 20 30 FEEDRO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1NC(=O)NCCc1cccc(C#N)c1 ZINC000369873671 556718305 /nfs/dbraw/zinc/71/83/05/556718305.db2.gz MOEGGCXBTQMTDH-UXPWSPDFSA-N 1 0 370.497 2.289 20 30 FEEDRO Cc1ccc2c(CC[NH2+]CCS(=O)(=O)c3ccc(C#N)cn3)c[nH]c2c1 ZINC000516563066 562048128 /nfs/dbraw/zinc/04/81/28/562048128.db2.gz QXUOTITXEFZLCS-UHFFFAOYSA-N 1 0 368.462 2.349 20 30 FEEDRO C[C@H](C(=O)NCCC1=CCCCC1)[NH+]1CCC(n2cnc(C#N)n2)CC1 ZINC000370120773 556786457 /nfs/dbraw/zinc/78/64/57/556786457.db2.gz IXEIYBODQWRPQM-OAHLLOKOSA-N 1 0 356.474 2.182 20 30 FEEDRO CCCn1nc2c(cc1=O)C[N@@H+](CCCOc1cccc(C#N)c1)CC2 ZINC000370565819 556910097 /nfs/dbraw/zinc/91/00/97/556910097.db2.gz OFNUGAKFZBWYHJ-UHFFFAOYSA-N 1 0 352.438 2.352 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N2CCC([C@@H]3CCCCCN3C(C)=O)CC2)CC1 ZINC000370821256 556979544 /nfs/dbraw/zinc/97/95/44/556979544.db2.gz NXQXDKWCFRHXOV-NRFANRHFSA-N 1 0 373.541 2.361 20 30 FEEDRO Cn1cc([C@@H]2[C@H](CNC(=O)CCc3ccc(C#N)cc3)CCC[N@@H+]2C)cn1 ZINC000370905502 557010398 /nfs/dbraw/zinc/01/03/98/557010398.db2.gz PSIDMGXHFBKIMD-RXVVDRJESA-N 1 0 365.481 2.424 20 30 FEEDRO CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)Nc2cccc(CC#N)c2)CC1=O ZINC000517014115 562071105 /nfs/dbraw/zinc/07/11/05/562071105.db2.gz IVUINMMPQUUSMJ-AEFFLSMTSA-N 1 0 354.454 2.024 20 30 FEEDRO N#Cc1ccc(NC(=O)C[N@@H+]2CCCC[C@@H]2[C@@H]2CNC(=O)C2)cc1Cl ZINC000371298405 557136571 /nfs/dbraw/zinc/13/65/71/557136571.db2.gz VKUJQYWRGALCIB-XJKSGUPXSA-N 1 0 360.845 2.141 20 30 FEEDRO CN(c1ccccc1CN1CCN(C2CC2)[C@@H](C#N)C1)C1CC[NH+](C)CC1 ZINC000371326376 557147602 /nfs/dbraw/zinc/14/76/02/557147602.db2.gz IQBKTPNLKPBEEN-NRFANRHFSA-N 1 0 367.541 2.389 20 30 FEEDRO N#CCCN(CCC#N)C(=O)CN1CC=C(c2ccnc3[nH]ccc32)CC1 ZINC000371477800 557193688 /nfs/dbraw/zinc/19/36/88/557193688.db2.gz PGMLKQWJVGVAEN-UHFFFAOYSA-N 1 0 362.437 2.308 20 30 FEEDRO N#CCCSc1ccccc1NC(=O)C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000371572000 557226353 /nfs/dbraw/zinc/22/63/53/557226353.db2.gz VTFRYIWLSPQDQR-OAHLLOKOSA-N 1 0 372.494 2.328 20 30 FEEDRO COc1ccc(O[C@@H](C)C[NH2+]C[C@@H](O)COc2ccc(C#N)cc2)cc1 ZINC000518362689 562109682 /nfs/dbraw/zinc/10/96/82/562109682.db2.gz SVRKYHQPWLNHQD-DOTOQJQBSA-N 1 0 356.422 2.364 20 30 FEEDRO C[C@@H]1C[C@@]1(C#N)C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCC[N@H+](C)C2)cc1 ZINC000518689016 562116536 /nfs/dbraw/zinc/11/65/36/562116536.db2.gz GJIGYYGCZZFYNM-LIVBEALHSA-N 1 0 354.454 2.341 20 30 FEEDRO C=C(C)CN(CC)C(=O)[C@H](C)N[C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@@H]1C ZINC000372478312 557480985 /nfs/dbraw/zinc/48/09/85/557480985.db2.gz QBXIMHMMHYDTLH-INDMIFKZSA-N 1 0 351.535 2.279 20 30 FEEDRO C=CCC[C@@H](C(=O)N1CCC(O)(C[NH+]2CCOCC2)CC1)c1ccccc1 ZINC000372506679 557488379 /nfs/dbraw/zinc/48/83/79/557488379.db2.gz WFBMOPCXSNGACA-HXUWFJFHSA-N 1 0 372.509 2.422 20 30 FEEDRO C#CCNC(=O)[C@H](C)[NH+]1CCC([C@@H]2CCCCCN2C(=O)C2CC2)CC1 ZINC000372586758 557513230 /nfs/dbraw/zinc/51/32/30/557513230.db2.gz UGYGWJVSWKEHCS-LPHOPBHVSA-N 1 0 359.514 2.018 20 30 FEEDRO COc1cc(C#N)ccc1C[N@@H+]1CCC[C@H](c2n[nH]cc2C(=O)N(C)C)C1 ZINC000372621624 557523381 /nfs/dbraw/zinc/52/33/81/557523381.db2.gz SJQVXWGXBKZFKX-INIZCTEOSA-N 1 0 367.453 2.371 20 30 FEEDRO N#Cc1cccc(CNC(=O)CN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000372728954 557548700 /nfs/dbraw/zinc/54/87/00/557548700.db2.gz JZAGAZPNEVRTEM-UYAOXDASSA-N 1 0 352.482 2.123 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)Nc2ccc(N3C[C@H]4CC[C@@H](C3)O4)cc2)CC1 ZINC000372742096 557552175 /nfs/dbraw/zinc/55/21/75/557552175.db2.gz OZSOMZCBTXBDPA-BGYRXZFFSA-N 1 0 353.466 2.338 20 30 FEEDRO C=CCN(C(=O)c1cccc(=O)n1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000372878469 557581354 /nfs/dbraw/zinc/58/13/54/557581354.db2.gz GSBHXBVCADWMSA-SFHVURJKSA-N 1 0 351.450 2.288 20 30 FEEDRO C[C@@H]1C[N@H+](CCCNC(=O)[C@@]2(C#N)CCc3ccccc3C2)CCCO1 ZINC000372894317 557583963 /nfs/dbraw/zinc/58/39/63/557583963.db2.gz ZCDPBVVPUTZLGX-UTKZUKDTSA-N 1 0 355.482 2.302 20 30 FEEDRO CC1CC[NH+](CC2CCN(S(=O)(=O)c3cccnc3C#N)CC2)CC1 ZINC000372992138 557605072 /nfs/dbraw/zinc/60/50/72/557605072.db2.gz WXGOBWDMXGHWAW-UHFFFAOYSA-N 1 0 362.499 2.086 20 30 FEEDRO CC[NH+]1CCC(N(CCS(=O)(=O)c2cccc(C#N)c2)C2CC2)CC1 ZINC000373224413 557653265 /nfs/dbraw/zinc/65/32/65/557653265.db2.gz TYVWUPBPQJARGP-UHFFFAOYSA-N 1 0 361.511 2.281 20 30 FEEDRO N#Cc1ccc(N2CCC(O)(C[NH+]3CCOCC3)CC2)cc1C(F)(F)F ZINC000373257098 557660081 /nfs/dbraw/zinc/66/00/81/557660081.db2.gz SZJGRBTTZQRXEG-UHFFFAOYSA-N 1 0 369.387 2.241 20 30 FEEDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NCc1cc(C#N)ccc1F ZINC000373270977 557662448 /nfs/dbraw/zinc/66/24/48/557662448.db2.gz OLZRCGCFCKRTOU-AWEZNQCLSA-N 1 0 360.433 2.092 20 30 FEEDRO C[C@H]1[NH2+]CCN(C(=O)NC2CCC(Oc3ncccc3C#N)CC2)[C@H]1C ZINC000520204345 562150524 /nfs/dbraw/zinc/15/05/24/562150524.db2.gz ANVIPQQQQNMIBS-VBJONLRCSA-N 1 0 357.458 2.035 20 30 FEEDRO C[C@@H]1CCc2ccccc2N1C(=O)C[NH+]1CCC(n2cnc(C#N)n2)CC1 ZINC000373406048 557687743 /nfs/dbraw/zinc/68/77/43/557687743.db2.gz PTZCWOVCZYDUKI-OAHLLOKOSA-N 1 0 364.453 2.155 20 30 FEEDRO COCC[N@@H+]1CCCN(C(=O)c2cc(C3CC3)nc(SC)c2C#N)CC1 ZINC000520407192 562155736 /nfs/dbraw/zinc/15/57/36/562155736.db2.gz SFRQPMYPVKIASA-UHFFFAOYSA-N 1 0 374.510 2.347 20 30 FEEDRO COCC[NH+]1CCC(NC(=O)c2cc(C3CC3)nc(SC)c2C#N)CC1 ZINC000520413623 562155993 /nfs/dbraw/zinc/15/59/93/562155993.db2.gz RSTWRACODUCDDG-UHFFFAOYSA-N 1 0 374.510 2.393 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N2C[C@H](C)O[C@@]3(CCO[C@@H](C)C3)C2)CC1 ZINC000373777622 557757063 /nfs/dbraw/zinc/75/70/63/557757063.db2.gz NMXCSXNDMHSOAF-ABSDTBQOSA-N 1 0 365.518 2.395 20 30 FEEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+][C@@H]2c3ccccc3CC[C@@H]2CO)c1 ZINC000373817043 557765925 /nfs/dbraw/zinc/76/59/25/557765925.db2.gz WZFJCQZTOQUMFF-XLIONFOSSA-N 1 0 370.474 2.218 20 30 FEEDRO C[C@H]([NH2+]C[C@@H]1CCCCN1S(=O)(=O)N(C)C)c1ccc(C#N)c(F)c1 ZINC000520650068 562160960 /nfs/dbraw/zinc/16/09/60/562160960.db2.gz ITVJUURKMSDKQN-BBRMVZONSA-N 1 0 368.478 2.009 20 30 FEEDRO Cc1cc(NC(=O)N(C)CCC[NH+]2CCCC2)nn1-c1cccc(C#N)c1 ZINC000374173439 557837265 /nfs/dbraw/zinc/83/72/65/557837265.db2.gz PFVJKSDCOGPKLI-UHFFFAOYSA-N 1 0 366.469 3.002 20 30 FEEDRO C=CCN(C(=O)NCC[N@@H+](C)C(C)C)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000520923320 562166084 /nfs/dbraw/zinc/16/60/84/562166084.db2.gz KMHSIEKGBFQXQF-INIZCTEOSA-N 1 0 371.489 2.261 20 30 FEEDRO C[NH+]1CCC2(CCCN2S(=O)(=O)c2ccc(Cl)cc2C#N)CC1 ZINC000374297995 557860846 /nfs/dbraw/zinc/86/08/46/557860846.db2.gz UEBYAGHDWBBGQG-UHFFFAOYSA-N 1 0 353.875 2.461 20 30 FEEDRO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000374333345 557867119 /nfs/dbraw/zinc/86/71/19/557867119.db2.gz UOUFMUSSMUUXPQ-FQELHTAISA-N 1 0 366.465 2.121 20 30 FEEDRO N#Cc1ccc([C@H](O)C[NH+]2CCC3(C[C@H]3C(=O)N3CCCC3)CC2)cc1 ZINC000374472707 557888559 /nfs/dbraw/zinc/88/85/59/557888559.db2.gz RBJZGYSAFGYOLH-RBUKOAKNSA-N 1 0 353.466 2.316 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H]2CCc3ccccc3OC2)cc1 ZINC000374628737 557908953 /nfs/dbraw/zinc/90/89/53/557908953.db2.gz UBYAFVYEMZWCHT-QGZVFWFLSA-N 1 0 356.447 2.315 20 30 FEEDRO N#Cc1cccc(CNC(=O)C[N@@H+]2CC[C@@H](n3ncc4ccccc43)C2)c1 ZINC000374742696 557924259 /nfs/dbraw/zinc/92/42/59/557924259.db2.gz KEYKMJRDOBKWQE-LJQANCHMSA-N 1 0 359.433 2.471 20 30 FEEDRO Cn1cc(C#N)cc1C(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000375071333 557973651 /nfs/dbraw/zinc/97/36/51/557973651.db2.gz NOZFYSJPVJODSR-UHFFFAOYSA-N 1 0 352.438 2.300 20 30 FEEDRO N#Cc1ccc(CN2CCC([NH2+][C@@H]3CCC(=O)N[C@@H]3C3CC3)CC2)cc1 ZINC000375301139 558006381 /nfs/dbraw/zinc/00/63/81/558006381.db2.gz FDOYWYIYLUSSSB-TZIWHRDSSA-N 1 0 352.482 2.169 20 30 FEEDRO CN1c2ccccc2C(C)(C)/C1=C/C(=O)CN1CC[C@@H](n2cncn2)C1 ZINC000375327215 558009506 /nfs/dbraw/zinc/00/95/06/558009506.db2.gz HZNPAVVQBDSUTP-SMLKNPDNSA-N 1 0 351.454 2.406 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)CCN1c2ccccc2SCC1=O ZINC000521520157 562178021 /nfs/dbraw/zinc/17/80/21/562178021.db2.gz QKQKNEGYYGKMPJ-UHFFFAOYSA-N 1 0 374.510 2.209 20 30 FEEDRO C=CCN(C(=O)[C@@H]1CCc2n[nH]nc2C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000375444865 558028398 /nfs/dbraw/zinc/02/83/98/558028398.db2.gz ZZWVIVIZBYEKLF-QZTJIDSGSA-N 1 0 365.481 2.199 20 30 FEEDRO C[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2Cl)C[C@H]1C(=O)N1CCOCC1 ZINC000375527407 558043374 /nfs/dbraw/zinc/04/33/74/558043374.db2.gz APDYCUJDWUDEQD-IUODEOHRSA-N 1 0 365.836 2.277 20 30 FEEDRO COC(=O)C[C@@H]1CC[C@@H]([NH2+]C2CCN(c3ccc(C#N)cn3)CC2)[C@H]1C ZINC000375675156 558065780 /nfs/dbraw/zinc/06/57/80/558065780.db2.gz CVXFYBMSTKNJSM-QILLFSRXSA-N 1 0 356.470 2.489 20 30 FEEDRO CCN([C@@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)N(C)[C@H](C)CC#N ZINC000375705736 558070470 /nfs/dbraw/zinc/07/04/70/558070470.db2.gz HNIOYINOPOOPCH-SJLPKXTDSA-N 1 0 364.515 2.062 20 30 FEEDRO C=C(C)[C@H]1OCCC[C@H]1C(=O)NC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000375748697 558076584 /nfs/dbraw/zinc/07/65/84/558076584.db2.gz JOYAYTZWFWGNHV-MTQWCTHYSA-N 1 0 358.482 2.109 20 30 FEEDRO C=C(C)[C@H]1OCCC[C@H]1C(=O)NC[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000375748696 558076614 /nfs/dbraw/zinc/07/66/14/558076614.db2.gz JOYAYTZWFWGNHV-IYWMVGAKSA-N 1 0 358.482 2.109 20 30 FEEDRO N#Cc1ccc(N2CCC([NH2+]C[C@@H]3CN4CCCC[C@@H]4CO3)CC2)cc1 ZINC000375896760 558095650 /nfs/dbraw/zinc/09/56/50/558095650.db2.gz ZUOBGTDPYJSCLF-NHCUHLMSSA-N 1 0 354.498 2.370 20 30 FEEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cccc2c1C[NH2+]CC2 ZINC000375993115 558111054 /nfs/dbraw/zinc/11/10/54/558111054.db2.gz PFIFGOAKFAVNCH-UHFFFAOYSA-N 1 0 350.422 2.493 20 30 FEEDRO C=CCNS(=O)(=O)c1cccc(C(=O)Nc2cccc3c2C[NH2+]CC3)c1 ZINC000375994841 558111234 /nfs/dbraw/zinc/11/12/34/558111234.db2.gz SKRQTZJZVBFFBJ-UHFFFAOYSA-N 1 0 371.462 2.049 20 30 FEEDRO C#CCOc1ccc(F)cc1NC(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000376032590 558116363 /nfs/dbraw/zinc/11/63/63/558116363.db2.gz NGZVJGPFXSURNP-UHFFFAOYSA-N 1 0 371.416 2.945 20 30 FEEDRO C[N@@H+]1CC[C@H]2CCN(C(=O)C3CCN(c4ccc(C#N)cc4F)CC3)C[C@@H]21 ZINC000376075043 558123319 /nfs/dbraw/zinc/12/33/19/558123319.db2.gz KYDTYTDXLGFHDJ-JXFKEZNVSA-N 1 0 370.472 2.466 20 30 FEEDRO Cc1nnc(N(C)CCN2CC[NH+](Cc3ccccc3)CC2)c(C#N)c1C ZINC000521654308 562181545 /nfs/dbraw/zinc/18/15/45/562181545.db2.gz YTLZNRIQGBXGSZ-UHFFFAOYSA-N 1 0 364.497 2.219 20 30 FEEDRO C#CCOc1ccccc1NC(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000376332404 558159228 /nfs/dbraw/zinc/15/92/28/558159228.db2.gz KUJYTSIXVGTIEF-HKUYNNGSSA-N 1 0 370.497 2.188 20 30 FEEDRO CO[C@@H](C)c1noc(CN2CCCN(c3ccc(C)c(C#N)n3)CC2)n1 ZINC000376415270 558170009 /nfs/dbraw/zinc/17/00/09/558170009.db2.gz ONJWTSVVBSTWCT-AWEZNQCLSA-N 1 0 356.430 2.064 20 30 FEEDRO Cn1cc(C[NH2+][C@@H]2CCN(c3ccccc3OC(F)F)C2=O)cc1C#N ZINC000376453616 558175440 /nfs/dbraw/zinc/17/54/40/558175440.db2.gz GMTSJFRWGGQNTK-CQSZACIVSA-N 1 0 360.364 2.393 20 30 FEEDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000376572445 558192388 /nfs/dbraw/zinc/19/23/88/558192388.db2.gz GQOPIYFKHUSLNC-PBHICJAKSA-N 1 0 365.441 2.229 20 30 FEEDRO COCCOc1ccc(C#N)cc1NC(=O)N1CC[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000376837118 558228079 /nfs/dbraw/zinc/22/80/79/558228079.db2.gz ROAWPSMZMPSBLF-DOTOQJQBSA-N 1 0 358.442 2.141 20 30 FEEDRO N#Cc1ccc(N2CC[C@H](C(=O)N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)c(F)c1 ZINC000377166384 558280102 /nfs/dbraw/zinc/28/01/02/558280102.db2.gz ZOUAJNNOOCJSCG-YESZJQIVSA-N 1 0 356.445 2.267 20 30 FEEDRO CN(C(=O)[C@H]1CC12CC[NH+](C[C@@H](O)c1ccc(C#N)cc1)CC2)C1CC1 ZINC000377184631 558283555 /nfs/dbraw/zinc/28/35/55/558283555.db2.gz NDPSPYZRQWJLCK-RTBURBONSA-N 1 0 353.466 2.315 20 30 FEEDRO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[NH2+][C@H]2CCC(=O)N[C@@H]2C2CC2)cc1 ZINC000377400564 558333423 /nfs/dbraw/zinc/33/34/23/558333423.db2.gz QEJRDWURJKACEN-ZAAXVRCTSA-N 1 0 368.481 2.277 20 30 FEEDRO C=CC1CC[NH+]([C@@H](C)C(=O)Nc2cc(C(=O)OC)cc(C(=O)OC)c2)CC1 ZINC000522083815 562191133 /nfs/dbraw/zinc/19/11/33/562191133.db2.gz UMAOEZMOVGBVBQ-ZDUSSCGKSA-N 1 0 374.437 2.485 20 30 FEEDRO CCCC(=O)NC[C@H]1CCC[N@@H+]([C@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000522418467 562198262 /nfs/dbraw/zinc/19/82/62/562198262.db2.gz UHQDETFBBAUWJZ-IAGOWNOFSA-N 1 0 362.518 2.346 20 30 FEEDRO CN1CC[C@H]([NH2+]CC(=O)N[C@](C)(C#N)C2CC2)[C@H]1c1ccc(Cl)cc1 ZINC000377650366 558386842 /nfs/dbraw/zinc/38/68/42/558386842.db2.gz MDQJIXYGGOSHMX-QXAKKESOSA-N 1 0 360.889 2.483 20 30 FEEDRO CC(C)(C#N)CCS(=O)(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000377835729 558432237 /nfs/dbraw/zinc/43/22/37/558432237.db2.gz WAZZWDSDTXZAAW-ZWKOTPCHSA-N 1 0 361.511 2.462 20 30 FEEDRO C=C(C)[C@@H](CC(=O)N1CCC([NH+]2CCN(C(C)C)CC2)CC1)OCC ZINC000378311677 558526885 /nfs/dbraw/zinc/52/68/85/558526885.db2.gz JDQMAQAUDDEQKK-LJQANCHMSA-N 1 0 351.535 2.375 20 30 FEEDRO COc1ccc(C(=O)N(CCC#N)CCC[NH+](C)C)cc1-c1ccn(C)n1 ZINC000378359941 558538618 /nfs/dbraw/zinc/53/86/18/558538618.db2.gz LIBJIVSVMFXVBS-UHFFFAOYSA-N 1 0 369.469 2.403 20 30 FEEDRO CCc1nc(CN2C[C@H]3C[NH+](Cc4ccc(C#N)cc4OC)C[C@@H]3C2)no1 ZINC000378363945 558539632 /nfs/dbraw/zinc/53/96/32/558539632.db2.gz ZIAHOSHTVNLLEP-IAGOWNOFSA-N 1 0 367.453 2.076 20 30 FEEDRO CCN1CC[NH+](C[C@H](C)CNC(=O)[C@@]2(C#N)CCc3ccccc3C2)CC1 ZINC000378463436 558563043 /nfs/dbraw/zinc/56/30/43/558563043.db2.gz QLTOTZZCIKUZED-GCJKJVERSA-N 1 0 368.525 2.075 20 30 FEEDRO N#CCCN(CCC#N)C(=O)C[NH2+][C@H](c1ccccc1)C1CCOCC1 ZINC000378464587 558563630 /nfs/dbraw/zinc/56/36/30/558563630.db2.gz CRWHDGWJASGEDD-HXUWFJFHSA-N 1 0 354.454 2.400 20 30 FEEDRO C[C@@H]1CN(Cc2cn(CCC#N)nc2-c2ccccc2)C[C@@H](C)[NH+]1CCO ZINC000378568026 558584789 /nfs/dbraw/zinc/58/47/89/558584789.db2.gz WAOKYHFWPZDBBO-QZTJIDSGSA-N 1 0 367.497 2.351 20 30 FEEDRO Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N[C@H]3CC[N@H+](C)[C@H](C)C3)C2)n1 ZINC000408288362 558664188 /nfs/dbraw/zinc/66/41/88/558664188.db2.gz XKIJDSMFHFQQST-NJAFHUGGSA-N 1 0 355.486 2.077 20 30 FEEDRO CC[N@H+](CCNS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1)C1CC1 ZINC000410083661 558737836 /nfs/dbraw/zinc/73/78/36/558737836.db2.gz BTVXJQBVRDPEQC-UHFFFAOYSA-N 1 0 361.389 2.340 20 30 FEEDRO CCN(C[C@H](C)C#N)S(=O)(=O)N[C@@H](C)[C@H](c1ccccc1C)[NH+](C)C ZINC000410411685 558755775 /nfs/dbraw/zinc/75/57/75/558755775.db2.gz SIKIIYNLIRXQFR-UWWQBHOKSA-N 1 0 366.531 2.302 20 30 FEEDRO C=CC[N@@H+](C)CCN(CC)Cc1nc2cc(C(=O)OC)ccc2c(=O)[nH]1 ZINC000411638360 558933457 /nfs/dbraw/zinc/93/34/57/558933457.db2.gz HELXNWXVLMFFLC-UHFFFAOYSA-N 1 0 358.442 2.062 20 30 FEEDRO C[NH+](C)CCN(Cc1ccsc1)C(=O)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000411693541 558945662 /nfs/dbraw/zinc/94/56/62/558945662.db2.gz LWKZYJOIISEBGM-UHFFFAOYSA-N 1 0 374.441 2.288 20 30 FEEDRO Cc1c(C#N)cccc1NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccsc1 ZINC000411700225 558946867 /nfs/dbraw/zinc/94/68/67/558946867.db2.gz XPHFTTDRELRHOG-UHFFFAOYSA-N 1 0 370.478 2.457 20 30 FEEDRO CC[C@H]([NH2+]CC(=O)N1CCN(c2oc(C)nc2C#N)CC1)c1ccccc1 ZINC000411884448 558982701 /nfs/dbraw/zinc/98/27/01/558982701.db2.gz FRSLGJACBNOSJZ-KRWDZBQOSA-N 1 0 367.453 2.244 20 30 FEEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CC[C@@H](C(=O)N(C)C)C2)c1 ZINC000411954840 558994393 /nfs/dbraw/zinc/99/43/93/558994393.db2.gz PUDHAKBAAOASFL-QZTJIDSGSA-N 1 0 370.497 2.349 20 30 FEEDRO COc1cc(C#N)ccc1OCC[N@@H+]1CC[C@@](C(N)=O)(c2ccccc2)C1 ZINC000411958637 558995345 /nfs/dbraw/zinc/99/53/45/558995345.db2.gz CFHDEXWCZDLTBI-NRFANRHFSA-N 1 0 365.433 2.075 20 30 FEEDRO C[C@@H]1[C@H](CO)CCC[N@@H+]1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000412100280 559013481 /nfs/dbraw/zinc/01/34/81/559013481.db2.gz XEOJJCXTJBIWEJ-ZBFHGGJFSA-N 1 0 368.399 2.266 20 30 FEEDRO C=CCOC[C@@H](NC(=O)c1cccc(C[NH+]2CCCCC2)c1)C(=O)OC ZINC000412303493 559026194 /nfs/dbraw/zinc/02/61/94/559026194.db2.gz FZQREQLMRJHZEO-GOSISDBHSA-N 1 0 360.454 2.147 20 30 FEEDRO C=CCC[C@@H](NC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1)C(=O)OCC ZINC000412391978 559032801 /nfs/dbraw/zinc/03/28/01/559032801.db2.gz DRUXCDDKRVGAFD-HZPDHXFCSA-N 1 0 354.516 2.218 20 30 FEEDRO COC(=O)C1CC[NH+](CCCNc2cc(C)c([N+](=O)[O-])cc2C#N)CC1 ZINC000413055446 559073203 /nfs/dbraw/zinc/07/32/03/559073203.db2.gz RDUPUINYBOWGQP-UHFFFAOYSA-N 1 0 360.414 2.462 20 30 FEEDRO CC(C)[N@H+](C)Cc1cccc(CNS(=O)(=O)c2cncc(C#N)c2)c1 ZINC000414475854 559167529 /nfs/dbraw/zinc/16/75/29/559167529.db2.gz YRSAPAPFUKPJLR-UHFFFAOYSA-N 1 0 358.467 2.272 20 30 FEEDRO CC[C@@H]1Oc2cc([C@@H](C)[NH2+][C@@H](C)C(=O)NC3(C#N)CCC3)ccc2NC1=O ZINC000527044877 562274460 /nfs/dbraw/zinc/27/44/60/562274460.db2.gz BFLNMVJBZGITMJ-WWGRRREGSA-N 1 0 370.453 2.398 20 30 FEEDRO Cc1ccc(NC(=O)C(=O)N(CCC#N)C(C)C)c(OCC[NH+](C)C)c1 ZINC000527104657 562276513 /nfs/dbraw/zinc/27/65/13/562276513.db2.gz OVRMGQSCQFTLKN-UHFFFAOYSA-N 1 0 360.458 2.025 20 30 FEEDRO N#Cc1ccc(Oc2cccc(NC(=O)C(=O)NC3CC[NH2+]CC3)c2)cc1 ZINC000415265807 559219632 /nfs/dbraw/zinc/21/96/32/559219632.db2.gz GEDOLEIXNRFLQT-UHFFFAOYSA-N 1 0 364.405 2.157 20 30 FEEDRO N#Cc1ccc(NC(=O)C(=O)NCC2([NH3+])CCCCC2)cc1C(F)(F)F ZINC000415282179 559220771 /nfs/dbraw/zinc/22/07/71/559220771.db2.gz PFMNISFXMYNRRE-UHFFFAOYSA-N 1 0 368.359 2.293 20 30 FEEDRO O=C(NC[C@H]1CCC[NH2+]C1)C(=O)Nc1cccc(C#Cc2ccccc2)c1 ZINC000415337327 559225287 /nfs/dbraw/zinc/22/52/87/559225287.db2.gz UGMZGJFXFACUBO-IBGZPJMESA-N 1 0 361.445 2.141 20 30 FEEDRO C[C@@H](NC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)[C@H]1CCC[NH2+]C1 ZINC000415350883 559226546 /nfs/dbraw/zinc/22/65/46/559226546.db2.gz IJZGECRMMSNSSH-PWSUYJOCSA-N 1 0 368.359 2.020 20 30 FEEDRO Cc1cc(=NC(=O)NC[C@H]([NH3+])c2ccc(C(C)C)cc2)[nH]n1CCC#N ZINC000415387570 559229998 /nfs/dbraw/zinc/22/99/98/559229998.db2.gz QLDPTRXNMBGDHV-KRWDZBQOSA-N 1 0 354.458 3.050 20 30 FEEDRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000415413078 559233027 /nfs/dbraw/zinc/23/30/27/559233027.db2.gz IDYAFAYKKOKJAY-CQSZACIVSA-N 1 0 366.421 2.261 20 30 FEEDRO C[C@@H]1CN(C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)CC[C@H]1[NH3+] ZINC000415437473 559236748 /nfs/dbraw/zinc/23/67/48/559236748.db2.gz CAZXIFGBYXYKKB-BXUZGUMPSA-N 1 0 358.833 2.598 20 30 FEEDRO C[C@@H]1CCCN(C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)[C@H]1C[NH3+] ZINC000415437497 559236867 /nfs/dbraw/zinc/23/68/67/559236867.db2.gz CCIZEKZGMLEOHZ-WBMJQRKESA-N 1 0 372.860 2.988 20 30 FEEDRO C[C@@H]1CCN(C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)C[C@@H]1C[NH3+] ZINC000415458048 559239395 /nfs/dbraw/zinc/23/93/95/559239395.db2.gz LNPAHIXFUMODDM-OCCSQVGLSA-N 1 0 372.860 2.846 20 30 FEEDRO C[C@@H]([NH3+])C1CCN(C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)CC1 ZINC000415469707 559240768 /nfs/dbraw/zinc/24/07/68/559240768.db2.gz XVCBINWEHPDQOD-GFCCVEGCSA-N 1 0 372.860 2.988 20 30 FEEDRO CN(CC(C)(C)C[NH3+])C(=O)C(=O)Nc1scc(C(C)(C)C)c1C#N ZINC000415488711 559242682 /nfs/dbraw/zinc/24/26/82/559242682.db2.gz VQIJKTDFPBVLQQ-UHFFFAOYSA-N 1 0 350.488 2.299 20 30 FEEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000415515164 559245511 /nfs/dbraw/zinc/24/55/11/559245511.db2.gz DAZHJZKCUHQXPO-BFHYXJOUSA-N 1 0 360.483 2.215 20 30 FEEDRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)Nc1ccccc1C#Cc1ccccc1 ZINC000415541264 559247840 /nfs/dbraw/zinc/24/78/40/559247840.db2.gz NIBFJIVQLGLZDQ-AEFFLSMTSA-N 1 0 361.445 2.221 20 30 FEEDRO C[NH2+]CCC1CCN(C(=O)C(=O)Nc2ccc(CC#N)cc2Cl)CC1 ZINC000415553383 559249132 /nfs/dbraw/zinc/24/91/32/559249132.db2.gz RIGAWWUQZMZOQL-UHFFFAOYSA-N 1 0 362.861 2.193 20 30 FEEDRO C[C@@H]1CN(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)[C@H](C)C[NH2+]1 ZINC000415562102 559249947 /nfs/dbraw/zinc/24/99/47/559249947.db2.gz OINBOMNOANSIJL-HUUCEWRRSA-N 1 0 369.469 2.484 20 30 FEEDRO C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N[C@H](C[NH3+])C2CCCC2)cc1 ZINC000415602113 559254465 /nfs/dbraw/zinc/25/44/65/559254465.db2.gz RDQSKWWDGMNRIY-BLLLJJGKSA-N 1 0 364.471 2.011 20 30 FEEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000415633146 559257041 /nfs/dbraw/zinc/25/70/41/559257041.db2.gz PVBKSFXATHQHLE-KFWWJZLASA-N 1 0 372.494 2.372 20 30 FEEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000415646150 559257717 /nfs/dbraw/zinc/25/77/17/559257717.db2.gz MMCHGRCGNYZNLQ-HZSPNIEDSA-N 1 0 360.483 2.263 20 30 FEEDRO CO[C@H]1CCN(C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)[C@H](C[NH3+])C1 ZINC000415662011 559259295 /nfs/dbraw/zinc/25/92/95/559259295.db2.gz VQWMOAVWCUDIDR-STQMWFEESA-N 1 0 372.347 2.427 20 30 FEEDRO C[C@H](CCCC[NH3+])NC(=O)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 ZINC000415738542 559266300 /nfs/dbraw/zinc/26/63/00/559266300.db2.gz FSNOCYRKBRCJQF-SNVBAGLBSA-N 1 0 372.347 2.029 20 30 FEEDRO CC[C@H]([NH3+])CNC(=O)C(=O)Nc1sc2c(c1C#N)CC[C@H](C(C)C)C2 ZINC000415777668 559270136 /nfs/dbraw/zinc/27/01/36/559270136.db2.gz DHYJPQUEEZZCQD-RYUDHWBXSA-N 1 0 362.499 2.173 20 30 FEEDRO N#Cc1ccc(NC(=O)C(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)cc1C(F)(F)F ZINC000415811695 559273795 /nfs/dbraw/zinc/27/37/95/559273795.db2.gz PAWNRFSQCILBPY-CMPLNLGQSA-N 1 0 368.359 2.149 20 30 FEEDRO C=CCOc1cccc(NC(=O)C(=O)N2CCC([C@H]3[NH2+]CC3(C)C)CC2)c1 ZINC000415865156 559279835 /nfs/dbraw/zinc/27/98/35/559279835.db2.gz UDIKIVDYJVQONW-GOSISDBHSA-N 1 0 371.481 2.427 20 30 FEEDRO CC(C)(CC#N)CNC(=O)Nc1ccccc1OCCN1CC[NH2+]CC1 ZINC000416031633 559289906 /nfs/dbraw/zinc/28/99/06/559289906.db2.gz TXSZAIBNHXLPOH-UHFFFAOYSA-N 1 0 359.474 2.032 20 30 FEEDRO N#Cc1cc(C(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)ccn1 ZINC000527273274 562283430 /nfs/dbraw/zinc/28/34/30/562283430.db2.gz FIXKBLWXVVRBBC-UHFFFAOYSA-N 1 0 352.360 2.488 20 30 FEEDRO C[C@@H](CNS(=O)(=O)c1cc(Br)ccc1C#N)[N@H+](C)C1CC1 ZINC000416389248 559309464 /nfs/dbraw/zinc/30/94/64/559309464.db2.gz PBHROOHPJOCKLO-JTQLQIEISA-N 1 0 372.288 2.082 20 30 FEEDRO N#Cc1ccccc1CSCCNC(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000416873940 559336057 /nfs/dbraw/zinc/33/60/57/559336057.db2.gz STWZQIMXZKEOOD-CQSZACIVSA-N 1 0 354.426 2.088 20 30 FEEDRO N#Cc1ccc(N2CCC[C@H](NC(=O)N[C@@H](C[NH3+])C3CCCC3)C2)c(F)c1 ZINC000417575713 559367236 /nfs/dbraw/zinc/36/72/36/559367236.db2.gz JKIRZHZRUFRAPD-WMZOPIPTSA-N 1 0 373.476 2.483 20 30 FEEDRO CC1(C)CN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)CC[NH2+]1 ZINC000417578942 559367423 /nfs/dbraw/zinc/36/74/23/559367423.db2.gz OLQXQHXCYCNXBT-HNNXBMFYSA-N 1 0 359.449 2.060 20 30 FEEDRO N#Cc1cccc([C@H]2CN(C(=O)NC[C@H]3CC[C@H](C[NH3+])CC3)CCO2)c1 ZINC000418668889 559410584 /nfs/dbraw/zinc/41/05/84/559410584.db2.gz OLKCSJKRGRZGNZ-GPMSIDNRSA-N 1 0 356.470 2.406 20 30 FEEDRO C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000419055079 559426473 /nfs/dbraw/zinc/42/64/73/559426473.db2.gz IVKIQOSQIRCYOI-LJQANCHMSA-N 1 0 369.509 2.282 20 30 FEEDRO CC(C)c1ccc([C@H]([NH3+])CNC(=O)C(=O)NCC#Cc2ccccc2)cc1 ZINC000419116834 559429039 /nfs/dbraw/zinc/42/90/39/559429039.db2.gz PFJLCQCTECZKMU-HXUWFJFHSA-N 1 0 363.461 2.094 20 30 FEEDRO C=CCCC[C@@H](C)NC(=O)C(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1 ZINC000419159684 559430556 /nfs/dbraw/zinc/43/05/56/559430556.db2.gz XQIYYJPDOUDTPV-OLMNPRSZSA-N 1 0 361.461 2.330 20 30 FEEDRO N#CC1(CNC(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)CCC1 ZINC000419420651 559441292 /nfs/dbraw/zinc/44/12/92/559441292.db2.gz KBDNLGNNRJRBJY-UHFFFAOYSA-N 1 0 369.513 2.187 20 30 FEEDRO C=CCC[C@@H](NC(=O)C(=O)N[C@H](C)C[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000419473603 559444175 /nfs/dbraw/zinc/44/41/75/559444175.db2.gz LLPSBHWZWHZUPI-BXUZGUMPSA-N 1 0 357.376 2.292 20 30 FEEDRO C=C(C)[C@H](NC(=O)C(=O)N1CCC(C[NH2+]C)CC1)c1ccc(F)c(F)c1 ZINC000419670467 559452908 /nfs/dbraw/zinc/45/29/08/559452908.db2.gz CTNNZPKYNHEYPO-KRWDZBQOSA-N 1 0 365.424 2.156 20 30 FEEDRO C=C(C)[C@H](NC(=O)C(=O)NC1CCC([NH3+])CC1)c1ccc(F)c(F)c1 ZINC000419679857 559453672 /nfs/dbraw/zinc/45/36/72/559453672.db2.gz QDGQJTJZEASBDJ-ZUEPYMLJSA-N 1 0 351.397 2.084 20 30 FEEDRO C=C(C)[C@H](NC(=O)C(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1)c1ccc(F)c(F)c1 ZINC000419686163 559454164 /nfs/dbraw/zinc/45/41/64/559454164.db2.gz YQYIPHMFLWKFBR-MRRJBJDNSA-N 1 0 365.424 2.203 20 30 FEEDRO C[C@H]1CCN(S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)[C@@H](C[NH3+])C1 ZINC000420426334 559486911 /nfs/dbraw/zinc/48/69/11/559486911.db2.gz UQMNYLPUSBBBOK-CMPLNLGQSA-N 1 0 361.389 2.325 20 30 FEEDRO Cc1cc(S(=O)(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)ccc1C#N ZINC000420470511 559489413 /nfs/dbraw/zinc/48/94/13/559489413.db2.gz MTGFWJNOYNGZKN-FUHWJXTLSA-N 1 0 359.426 2.121 20 30 FEEDRO C[C@H]1CCN(S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)C[C@H]1C[NH3+] ZINC000420480783 559489750 /nfs/dbraw/zinc/48/97/50/559489750.db2.gz PKWWGZJTOXJEIE-CMPLNLGQSA-N 1 0 361.389 2.182 20 30 FEEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000420993748 559518221 /nfs/dbraw/zinc/51/82/21/559518221.db2.gz BAJGJCJKGLHVDT-IRXDYDNUSA-N 1 0 358.486 2.356 20 30 FEEDRO CCOC(=O)c1c(NC(=O)N2CC[N@H+](C)CC[C@@H]2C)c(C#N)cn1CC ZINC000421178296 559529251 /nfs/dbraw/zinc/52/92/51/559529251.db2.gz WXXZRXOSNUNHEV-ZDUSSCGKSA-N 1 0 361.446 2.114 20 30 FEEDRO C[C@H](C(=O)NC1(C#N)CCC1)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000527295466 562284049 /nfs/dbraw/zinc/28/40/49/562284049.db2.gz HYIOVDGRNJUEEC-QGZVFWFLSA-N 1 0 365.481 2.017 20 30 FEEDRO C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000421793852 559553816 /nfs/dbraw/zinc/55/38/16/559553816.db2.gz YOKLWUVBMZKWCT-FQEVSTJZSA-N 1 0 369.509 2.281 20 30 FEEDRO C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)NC[C@H]1CCCC[N@H+]1CC ZINC000422310114 559577638 /nfs/dbraw/zinc/57/76/38/559577638.db2.gz VMGRELVLBMNRKN-RTBURBONSA-N 1 0 357.498 2.281 20 30 FEEDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)NCC(C)(C)CC#N ZINC000422343176 559580104 /nfs/dbraw/zinc/58/01/04/559580104.db2.gz SGPJNNMNURFVAA-WMZOPIPTSA-N 1 0 370.497 2.069 20 30 FEEDRO C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1 ZINC000422422011 559587257 /nfs/dbraw/zinc/58/72/57/559587257.db2.gz FCUTYASMZGRBMR-QFBILLFUSA-N 1 0 355.482 2.057 20 30 FEEDRO C=CCN(CCc1ccccc1)C(=O)C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000422492081 559591821 /nfs/dbraw/zinc/59/18/21/559591821.db2.gz VCZPBHJAKWYEJR-LJQANCHMSA-N 1 0 357.498 2.092 20 30 FEEDRO C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000422523740 559592844 /nfs/dbraw/zinc/59/28/44/559592844.db2.gz DMQWZKFFOFINNS-GOSISDBHSA-N 1 0 357.498 2.233 20 30 FEEDRO C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000422533428 559593341 /nfs/dbraw/zinc/59/33/41/559593341.db2.gz XHHCEIGMUZFZAF-QRQLOZEOSA-N 1 0 357.498 2.089 20 30 FEEDRO C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000422547726 559594373 /nfs/dbraw/zinc/59/43/73/559594373.db2.gz XNWIZNSAROLGTM-WOJBJXKFSA-N 1 0 371.525 2.480 20 30 FEEDRO C=CCN(CCc1ccccc1)C(=O)C(=O)N1CCC(C[NH2+]CC)CC1 ZINC000423189347 559622428 /nfs/dbraw/zinc/62/24/28/559622428.db2.gz PHORQJXKTBVDFL-UHFFFAOYSA-N 1 0 357.498 2.092 20 30 FEEDRO CCOc1ccc(C2(CNC(=O)[C@H]([NH3+])CCCC#N)CCOCC2)cc1 ZINC000424101194 559654800 /nfs/dbraw/zinc/65/48/00/559654800.db2.gz JECRLIKPEFIZSL-GOSISDBHSA-N 1 0 359.470 2.271 20 30 FEEDRO N#CCCC[C@H]([NH3+])C(=O)Nc1ccc(N2CCOCC2)c2ccncc12 ZINC000424131442 559655666 /nfs/dbraw/zinc/65/56/66/559655666.db2.gz GPOREMZDCBPSBH-INIZCTEOSA-N 1 0 353.426 2.031 20 30 FEEDRO C[C@@H](CNC(=O)[C@@H]([NH3+])CCCC#N)Oc1ccccc1Br ZINC000424135672 559655744 /nfs/dbraw/zinc/65/57/44/559655744.db2.gz ZQNZVMJYSDJUKK-AAEUAGOBSA-N 1 0 354.248 2.354 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000424500596 559667656 /nfs/dbraw/zinc/66/76/56/559667656.db2.gz JTKXZZMARBEFDB-JFRXWTBNSA-N 1 0 350.503 2.315 20 30 FEEDRO C[C@@H]1CC2(CN1C(=O)C(=O)N[C@@H](CCC#N)c1ccccc1)CC[NH2+]CC2 ZINC000424531471 559668544 /nfs/dbraw/zinc/66/85/44/559668544.db2.gz WZNXAMLZDAYMOP-AEFFLSMTSA-N 1 0 368.481 2.138 20 30 FEEDRO C=CCn1cc(CNC(=O)NCc2ccccc2C[NH+]2CCCCC2)nn1 ZINC000425409376 559700837 /nfs/dbraw/zinc/70/08/37/559700837.db2.gz VDIHIXJCFUZNNI-UHFFFAOYSA-N 1 0 368.485 2.449 20 30 FEEDRO C=CCn1cc(CNC(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)nn1 ZINC000425444961 559702731 /nfs/dbraw/zinc/70/27/31/559702731.db2.gz CJNLXEQULAIQDY-MRXNPFEDSA-N 1 0 368.485 2.489 20 30 FEEDRO COCC(C)(C)[NH+]1CCN([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000425502523 559706161 /nfs/dbraw/zinc/70/61/61/559706161.db2.gz HEMACLSBHNVRDH-LJQANCHMSA-N 1 0 370.497 2.096 20 30 FEEDRO C[C@H](c1cccc(C#N)c1)[N@H+](C)CCC(=O)NC(=O)NCC(F)(F)F ZINC000425531800 559708132 /nfs/dbraw/zinc/70/81/32/559708132.db2.gz ICAGNULGSGCRHP-LLVKDONJSA-N 1 0 356.348 2.329 20 30 FEEDRO C[C@H](CNC(=O)C(=O)N(C)[C@@H](C)c1cccc(C#N)c1)[NH+]1CCC(C)CC1 ZINC000425874355 559723691 /nfs/dbraw/zinc/72/36/91/559723691.db2.gz CHXGHZBOEJRGBZ-SJORKVTESA-N 1 0 370.497 2.314 20 30 FEEDRO Cc1c2cc(C#N)ccc2sc1C(=O)N1CCN(CC[NH+](C)C)CC1 ZINC000429847238 559806979 /nfs/dbraw/zinc/80/69/79/559806979.db2.gz PVNPZYILJYIQCH-UHFFFAOYSA-N 1 0 356.495 2.401 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNS(=O)(=O)c1c(Cl)cnn1C)C(C)C ZINC000429905044 559808218 /nfs/dbraw/zinc/80/82/18/559808218.db2.gz DRUAPZSYXJNNLV-CQSZACIVSA-N 1 0 360.911 2.050 20 30 FEEDRO CC(C)N(CCC#N)C(=O)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000527354146 562286197 /nfs/dbraw/zinc/28/61/97/562286197.db2.gz WFWVIILOYVAIBG-UHFFFAOYSA-N 1 0 356.470 2.414 20 30 FEEDRO N#CCCn1cc(C[NH2+]CCn2cnnc2C2CC2)c(-c2ccncc2)n1 ZINC000433336348 559877367 /nfs/dbraw/zinc/87/73/67/559877367.db2.gz PFVZSGULSOKORX-UHFFFAOYSA-N 1 0 362.441 2.117 20 30 FEEDRO COC[C@H]([NH2+][C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1)[C@@H]1CCCO1 ZINC000434781747 559909232 /nfs/dbraw/zinc/90/92/32/559909232.db2.gz DEOHQTSFKUKYGW-JBWWOZQKSA-N 1 0 351.491 2.089 20 30 FEEDRO C[C@@H]1C[C@H](NS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)CC[N@@H+]1C ZINC000435155389 559917350 /nfs/dbraw/zinc/91/73/50/559917350.db2.gz LAPPDHHIFWHBAD-ZYHUDNBSSA-N 1 0 361.389 2.338 20 30 FEEDRO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)Nc1cc(C[NH+](C)C)ccc1C ZINC000437041313 559959709 /nfs/dbraw/zinc/95/97/09/559959709.db2.gz LLOKWMUCZFEISD-SJLPKXTDSA-N 1 0 359.470 2.093 20 30 FEEDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNS(=O)(=O)Cc2ccc(C#N)cc2F)C1 ZINC000440042684 560003624 /nfs/dbraw/zinc/00/36/24/560003624.db2.gz BHBDSSDQMLVNNJ-HUUCEWRRSA-N 1 0 367.490 2.485 20 30 FEEDRO CC(C)(C)OC(=O)CN[C@@]1(C)CC[N@H+](CCOc2ccccc2C#N)C1 ZINC000440537327 560014071 /nfs/dbraw/zinc/01/40/71/560014071.db2.gz YZHPAWZHNYYGBQ-FQEVSTJZSA-N 1 0 359.470 2.333 20 30 FEEDRO CCOc1ccccc1CN1CC[N@H+](CCC(=O)N(C)CCC#N)[C@H](C)C1 ZINC000441333272 560028772 /nfs/dbraw/zinc/02/87/72/560028772.db2.gz TZJDBXATPROXGT-GOSISDBHSA-N 1 0 372.513 2.354 20 30 FEEDRO Cn1nc(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)c2c1CCCC2 ZINC000449811983 560240778 /nfs/dbraw/zinc/24/07/78/560240778.db2.gz TXFFGIXYPKRQCO-UHFFFAOYSA-N 1 0 365.481 2.375 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000450070509 560249887 /nfs/dbraw/zinc/24/98/87/560249887.db2.gz ZRRWVMAABHETLO-JFRXWTBNSA-N 1 0 350.503 2.315 20 30 FEEDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1cccc(C#N)c1Br ZINC000450080944 560250099 /nfs/dbraw/zinc/25/00/99/560250099.db2.gz HXMOWADXKJUIAV-ZDUSSCGKSA-N 1 0 368.275 2.407 20 30 FEEDRO C[C@@H]1[C@H](NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CCC[N@@H+]1C ZINC000450559065 560266135 /nfs/dbraw/zinc/26/61/35/560266135.db2.gz XJUKLYHBRHYKMI-HACGYAERSA-N 1 0 374.872 2.163 20 30 FEEDRO C[NH+](C)CCN(C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)C1CC1 ZINC000450720273 560271460 /nfs/dbraw/zinc/27/14/60/560271460.db2.gz XZDKAVVYIDECIF-CQSZACIVSA-N 1 0 374.872 2.117 20 30 FEEDRO CC(=O)N1CCC[N@H+](C[C@@H]2CCCN(c3nc(C)cc(C)c3C#N)C2)CC1 ZINC000450749588 560272139 /nfs/dbraw/zinc/27/21/39/560272139.db2.gz YXGLCHQEVONCMB-IBGZPJMESA-N 1 0 369.513 2.341 20 30 FEEDRO N#Cc1ccc(C(F)(F)F)c(N2CC[NH+]([C@H]3CCNC(=O)CC3)CC2)c1 ZINC000450895049 560277358 /nfs/dbraw/zinc/27/73/58/560277358.db2.gz WPLKLTNPKNCXAZ-CQSZACIVSA-N 1 0 366.387 2.368 20 30 FEEDRO C[NH+](C)Cc1ccc(CNS(=O)(=O)Cc2ccc(F)cc2C#N)cc1 ZINC000451009484 560282245 /nfs/dbraw/zinc/28/22/45/560282245.db2.gz PNCVIOJQACJULM-UHFFFAOYSA-N 1 0 361.442 2.379 20 30 FEEDRO C=CCc1ccccc1OC[C@H](O)C[NH2+][C@@](C)(CO)c1cccc(O)c1 ZINC000451039965 560284154 /nfs/dbraw/zinc/28/41/54/560284154.db2.gz QKANHJBZEISGKL-CTNGQTDRSA-N 1 0 357.450 2.358 20 30 FEEDRO CC(C)(CC#N)CS(=O)(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000451162865 560290618 /nfs/dbraw/zinc/29/06/18/560290618.db2.gz AWBPHBKAMKQOAF-GOSISDBHSA-N 1 0 363.527 2.410 20 30 FEEDRO CN(C[C@H]1CCC[N@H+](C)C1)S(=O)(=O)c1ccc(CC#N)cc1Cl ZINC000451203012 560292907 /nfs/dbraw/zinc/29/29/07/560292907.db2.gz OVGOBKUQYLSSCS-AWEZNQCLSA-N 1 0 355.891 2.368 20 30 FEEDRO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC[C@H](CC(C)(C)C(N)=O)C1 ZINC000451214740 560293597 /nfs/dbraw/zinc/29/35/97/560293597.db2.gz XUJHOJMCNLSGMW-JKSUJKDBSA-N 1 0 362.518 2.331 20 30 FEEDRO CC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2ccc(CC#N)cc2Cl)C1 ZINC000451290558 560298354 /nfs/dbraw/zinc/29/83/54/560298354.db2.gz ZJCCHPDVVSLBOK-AWEZNQCLSA-N 1 0 355.891 2.368 20 30 FEEDRO C[C@H]1CN(CC(=O)N(CCC#N)CCC#N)CC[N@H+](Cc2ccccc2)C1 ZINC000451714266 560324161 /nfs/dbraw/zinc/32/41/61/560324161.db2.gz VBGAWKMQLFKWEE-LJQANCHMSA-N 1 0 367.497 2.096 20 30 FEEDRO C[C@H]1CN(S(=O)(=O)CC2(CC#N)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000451921637 560337518 /nfs/dbraw/zinc/33/75/18/560337518.db2.gz CONDLMRZQPJYBX-QGZVFWFLSA-N 1 0 361.511 2.464 20 30 FEEDRO C=CCn1c([C@@H]2CCCO2)nnc1N1CC[N@@H+](CCOCC)[C@@H](CC)C1 ZINC000453424037 560386364 /nfs/dbraw/zinc/38/63/64/560386364.db2.gz GOBPINICIGFJGA-IRXDYDNUSA-N 1 0 363.506 2.253 20 30 FEEDRO C=CCn1c(N2CC[N@@H+](CCOCC)[C@@H](C)C2)nnc1[C@]1(C)CCCO1 ZINC000453448034 560386796 /nfs/dbraw/zinc/38/67/96/560386796.db2.gz XTCVSKHABULROR-LPHOPBHVSA-N 1 0 363.506 2.037 20 30 FEEDRO C=CCn1c(N2CC[N@@H+](CCOCC)[C@H](C)C2)nnc1[C@]1(C)CCCO1 ZINC000453448032 560386804 /nfs/dbraw/zinc/38/68/04/560386804.db2.gz XTCVSKHABULROR-APWZRJJASA-N 1 0 363.506 2.037 20 30 FEEDRO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1cccc(CC#N)c1)c1cccs1 ZINC000453583594 560389691 /nfs/dbraw/zinc/38/96/91/560389691.db2.gz VCIBPKOIGCUIDD-OAHLLOKOSA-N 1 0 356.451 2.172 20 30 FEEDRO CC(C)(C)c1cc(C#N)c(NC(=O)C(=O)NCC[NH+]2CCCCC2)s1 ZINC000453588862 560390001 /nfs/dbraw/zinc/39/00/01/560390001.db2.gz MILVHRHBFYMKIM-UHFFFAOYSA-N 1 0 362.499 2.458 20 30 FEEDRO C[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1ccc(CC#N)cc1Cl ZINC000453610962 560391192 /nfs/dbraw/zinc/39/11/92/560391192.db2.gz RFRPYALEAAARTL-ZDUSSCGKSA-N 1 0 362.861 2.335 20 30 FEEDRO C[C@H](CC[NH+](C)C)NC(=O)C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 ZINC000453645205 560392957 /nfs/dbraw/zinc/39/29/57/560392957.db2.gz XMXKVTLMVFXRER-CYBMUJFWSA-N 1 0 360.458 2.130 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cc(OCC)ccc2Cl)CC1 ZINC000453649768 560393294 /nfs/dbraw/zinc/39/32/94/560393294.db2.gz AHTXUIOKMTUBCB-UHFFFAOYSA-N 1 0 365.861 2.444 20 30 FEEDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)C(=O)Nc2ccc(CC#N)cc2Cl)C1 ZINC000453672557 560395542 /nfs/dbraw/zinc/39/55/42/560395542.db2.gz NVUNBTVGQILDJP-KBPBESRZSA-N 1 0 362.861 2.334 20 30 FEEDRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)C(=O)N(CCC#N)CC3CC3)ccc21 ZINC000453710673 560398771 /nfs/dbraw/zinc/39/87/71/560398771.db2.gz PSBSFJDGGNNFMO-GOSISDBHSA-N 1 0 354.454 2.326 20 30 FEEDRO CCCN(CC[NH+](CC)CC)C(=O)C(=O)Nc1cnc(C#N)c(Cl)c1 ZINC000453725004 560399719 /nfs/dbraw/zinc/39/97/19/560399719.db2.gz VEDBMPSDFQSUKZ-UHFFFAOYSA-N 1 0 365.865 2.126 20 30 FEEDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)C(=O)Nc1ccc(CC#N)cc1Cl ZINC000453756147 560401849 /nfs/dbraw/zinc/40/18/49/560401849.db2.gz PUQWSYXWYMQFRH-DYVFJYSZSA-N 1 0 374.872 2.430 20 30 FEEDRO C=CC(C)(C)CNC(=O)C(=O)Nc1cccc(NC(=O)C[NH+](CC)CC)c1 ZINC000453877942 560410145 /nfs/dbraw/zinc/41/01/45/560410145.db2.gz GNQXXNUDPNNRCS-UHFFFAOYSA-N 1 0 374.485 2.234 20 30 FEEDRO C=CCC[C@H](CO)NC(=O)C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000454049627 560424890 /nfs/dbraw/zinc/42/48/90/560424890.db2.gz CNTDSFXSSYSFHK-VQIMIIECSA-N 1 0 373.497 2.300 20 30 FEEDRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2cccc(OCCCC#N)c2)C1 ZINC000454102150 560429469 /nfs/dbraw/zinc/42/94/69/560429469.db2.gz OWQPCISOOBEEMO-KRWDZBQOSA-N 1 0 372.469 2.249 20 30 FEEDRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(CC#N)cc2Cl)C1 ZINC000454110141 560430097 /nfs/dbraw/zinc/43/00/97/560430097.db2.gz UERLAVQBZYYLNG-AWEZNQCLSA-N 1 0 362.861 2.286 20 30 FEEDRO C[N@H+](CCCCNC(=O)Nc1ccn(-c2cccc(F)c2C#N)n1)C1CC1 ZINC000455109279 560470417 /nfs/dbraw/zinc/47/04/17/560470417.db2.gz YDRYWHUETHJOJV-UHFFFAOYSA-N 1 0 370.432 2.879 20 30 FEEDRO C[N@H+](CCCCNC(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1)C1CC1 ZINC000455109656 560470555 /nfs/dbraw/zinc/47/05/55/560470555.db2.gz WFKKWOLVCNTODX-UHFFFAOYSA-N 1 0 370.432 2.879 20 30 FEEDRO C=CC(C)(C)CNC(=O)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000455360683 560479426 /nfs/dbraw/zinc/47/94/26/560479426.db2.gz CRBIBHVOMWHIMJ-GOSISDBHSA-N 1 0 372.513 2.395 20 30 FEEDRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)Nc2cnc(C#N)c(Cl)c2)C1 ZINC000455752517 560493830 /nfs/dbraw/zinc/49/38/30/560493830.db2.gz JEAPXFIOBDSEHU-ZDUSSCGKSA-N 1 0 351.838 2.085 20 30 FEEDRO N#Cc1ncc(NC(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cc1Cl ZINC000455778897 560494633 /nfs/dbraw/zinc/49/46/33/560494633.db2.gz HDOCRRMGSUBXQQ-JKSUJKDBSA-N 1 0 363.849 2.106 20 30 FEEDRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 ZINC000455806325 560495241 /nfs/dbraw/zinc/49/52/41/560495241.db2.gz YADDCKSSKPDXHJ-HNNXBMFYSA-N 1 0 373.501 2.493 20 30 FEEDRO C=C[C@H](CO)NC(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1 ZINC000455945497 560501412 /nfs/dbraw/zinc/50/14/12/560501412.db2.gz OTOIMKMTOCIPIV-CYBMUJFWSA-N 1 0 353.850 2.481 20 30 FEEDRO Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)NC(C)(C)C[NH+]3CCCC3)C2)n1 ZINC000457048572 560545579 /nfs/dbraw/zinc/54/55/79/560545579.db2.gz JSRAITPUFQFSHJ-GOSISDBHSA-N 1 0 369.513 2.469 20 30 FEEDRO C[NH+](C)CC(C)(C)NC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000458365850 560617416 /nfs/dbraw/zinc/61/74/16/560617416.db2.gz KWHZTIWXKLCKRQ-HNNXBMFYSA-N 1 0 361.465 2.306 20 30 FEEDRO CC(C)(CC#N)CNC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000459260450 560676401 /nfs/dbraw/zinc/67/64/01/560676401.db2.gz QIEMQJKNKMGLDY-ZWKOTPCHSA-N 1 0 358.486 2.108 20 30 FEEDRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(Cc2c(C#N)cccc2[N+](=O)[O-])CC1 ZINC000459307989 560678785 /nfs/dbraw/zinc/67/87/85/560678785.db2.gz AVYUUNCJDLCBED-IRXDYDNUSA-N 1 0 371.485 2.457 20 30 FEEDRO COCCOc1ccc(C#N)cc1NC(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000459495529 560689668 /nfs/dbraw/zinc/68/96/68/560689668.db2.gz VADGMKPSNQTVJG-OAHLLOKOSA-N 1 0 360.458 2.437 20 30 FEEDRO CC(C)[C@@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)C1(CO)CCCC1 ZINC000459527044 560691994 /nfs/dbraw/zinc/69/19/94/560691994.db2.gz IZLLMEYJGOYFTA-GOSISDBHSA-N 1 0 364.511 2.499 20 30 FEEDRO CCN(CCC#N)C(=O)C[N@@H+]1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459670654 560701425 /nfs/dbraw/zinc/70/14/25/560701425.db2.gz VJHVFXFVHGJXIY-AWEZNQCLSA-N 1 0 361.408 2.430 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000459870864 560715267 /nfs/dbraw/zinc/71/52/67/560715267.db2.gz RKIZBFQPELBEFQ-RDJZCZTQSA-N 1 0 361.511 2.205 20 30 FEEDRO CC(C)[NH+](CCN(C)C(=O)C(=O)N(C)Cc1cccc(C#N)c1)C(C)C ZINC000459938726 560721659 /nfs/dbraw/zinc/72/16/59/560721659.db2.gz NWDLIVLXYJUUDR-UHFFFAOYSA-N 1 0 358.486 2.094 20 30 FEEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N1CC[C@@H]([NH+](CC)CC)C1 ZINC000460030435 560730189 /nfs/dbraw/zinc/73/01/89/560730189.db2.gz LSBKSJZVIKBYCE-GOSISDBHSA-N 1 0 373.497 2.153 20 30 FEEDRO C=CCCCN(C)C(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F ZINC000460056281 560732136 /nfs/dbraw/zinc/73/21/36/560732136.db2.gz JHTWFNXIKJNLJX-UHFFFAOYSA-N 1 0 367.440 2.280 20 30 FEEDRO C=C(C)Cn1c(CC2CC2)nnc1N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC000460381843 560743015 /nfs/dbraw/zinc/74/30/15/560743015.db2.gz AQSSEDGAEZLZOG-UHFFFAOYSA-N 1 0 369.517 2.253 20 30 FEEDRO N#C[C@@H]1CCC[C@H]1NC(=O)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000461777667 560782925 /nfs/dbraw/zinc/78/29/25/560782925.db2.gz NJIKDQOHYJQVTG-PKOBYXMFSA-N 1 0 368.481 2.462 20 30 FEEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)N[C@H]3CCC[C@H]3C#N)CC2)cc1 ZINC000461939259 560788922 /nfs/dbraw/zinc/78/89/22/560788922.db2.gz WMMKGFGJIXWVMY-OALUTQOASA-N 1 0 351.454 2.468 20 30 FEEDRO Cc1nc(N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C)c(Cl)cc1C#N ZINC000461958599 560789645 /nfs/dbraw/zinc/78/96/45/560789645.db2.gz NGCMNUYBARHPJU-HNNXBMFYSA-N 1 0 351.882 2.420 20 30 FEEDRO CCOCC[N@@H+]1CCN(C(=O)NCCc2cccc(C#N)c2)C[C@@H]1CC ZINC000466822589 560896844 /nfs/dbraw/zinc/89/68/44/560896844.db2.gz NARUJYCQDFPEBG-IBGZPJMESA-N 1 0 358.486 2.243 20 30 FEEDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)CCC(=O)N(CCC#N)c1ccccc1 ZINC000467022144 560901681 /nfs/dbraw/zinc/90/16/81/560901681.db2.gz HCFSLQYJDLFONU-LPHOPBHVSA-N 1 0 368.481 2.312 20 30 FEEDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000467059689 560902584 /nfs/dbraw/zinc/90/25/84/560902584.db2.gz VNSPNBDZNUNWOD-SUMWQHHRSA-N 1 0 354.454 2.025 20 30 FEEDRO COC(=O)[C@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)[C@H]1C ZINC000469998851 560971507 /nfs/dbraw/zinc/97/15/07/560971507.db2.gz HVHJGAIMBUUTPC-RYUDHWBXSA-N 1 0 361.467 2.320 20 30 FEEDRO C=C(C)CN(CC)C(=O)C[N@H+](C)C[C@@H]1C[C@H](F)CN1Cc1nccs1 ZINC000470808765 560990207 /nfs/dbraw/zinc/99/02/07/560990207.db2.gz UCCAFMQSIXDIRW-HOTGVXAUSA-N 1 0 368.522 2.412 20 30 FEEDRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)C1 ZINC000472253311 561021891 /nfs/dbraw/zinc/02/18/91/561021891.db2.gz ATPBWARJPMOWHO-VQTJNVASSA-N 1 0 350.466 2.431 20 30 FEEDRO C=C(C)C[NH+]1CCC(Nc2cc(Br)cnc2C(N)=O)CC1 ZINC000472492279 561027733 /nfs/dbraw/zinc/02/77/33/561027733.db2.gz BYVJCNNZDDLHOT-UHFFFAOYSA-N 1 0 353.264 2.395 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2c3c(nn2C(C)C)CCC3)CC1 ZINC000473270853 561046010 /nfs/dbraw/zinc/04/60/10/561046010.db2.gz HPDGHKVFMNSGKE-UHFFFAOYSA-N 1 0 373.501 2.048 20 30 FEEDRO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@H]1CCCN(c2nc(C)ccc2C#N)C1 ZINC000473506724 561051441 /nfs/dbraw/zinc/05/14/41/561051441.db2.gz NOXOYDFCBBZBOG-RBUKOAKNSA-N 1 0 369.513 2.421 20 30 FEEDRO COc1c[nH+]ccc1N1CCN(C(=O)NCc2cc(C#N)ccc2F)CC1 ZINC000474441259 561074265 /nfs/dbraw/zinc/07/42/65/561074265.db2.gz ZILUBVUDLOFLAP-UHFFFAOYSA-N 1 0 369.400 2.133 20 30 FEEDRO N#Cc1cc(C(=O)NCc2ccc(OCC[NH+]3CCCC3)cc2)ccn1 ZINC000475924417 561108064 /nfs/dbraw/zinc/10/80/64/561108064.db2.gz AUKDJCQIYJVXIU-UHFFFAOYSA-N 1 0 350.422 2.358 20 30 FEEDRO CN(C(=O)c1cnn(C)c1C#N)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000476448747 561119696 /nfs/dbraw/zinc/11/96/96/561119696.db2.gz LTLLOLSYWKZCAL-UHFFFAOYSA-N 1 0 353.426 2.043 20 30 FEEDRO C=CCn1c(-c2cccn2C)nnc1N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000528295975 562321455 /nfs/dbraw/zinc/32/14/55/562321455.db2.gz PVDXKRPJOWWAJA-UHFFFAOYSA-N 1 0 370.501 2.161 20 30 FEEDRO CC(C)[C@H](C)NC(=O)C1CC[NH+](C[C@@H](O)COc2ccccc2C#N)CC1 ZINC000528368849 562325223 /nfs/dbraw/zinc/32/52/23/562325223.db2.gz WODFLQCGJJVQFU-QFBILLFUSA-N 1 0 373.497 2.171 20 30 FEEDRO N#CC1(C[C@@H](O)C[NH+]2CCC(c3nc(-c4ccccn4)no3)CC2)CC1 ZINC000528367931 562325310 /nfs/dbraw/zinc/32/53/10/562325310.db2.gz KHDMZMDCZCFNCP-OAHLLOKOSA-N 1 0 353.426 2.366 20 30 FEEDRO COc1cc2c(c(OC)c1OC)CC[N@H+](C[C@H](O)CC1(C#N)CC1)CC2 ZINC000528406826 562327311 /nfs/dbraw/zinc/32/73/11/562327311.db2.gz ZGJNXCODVQVHIA-OAHLLOKOSA-N 1 0 360.454 2.168 20 30 FEEDRO CN1CC[C@H]([NH2+]C[C@@H](O)COc2ccccc2C#N)[C@@H]1c1ccccc1 ZINC000528490428 562331983 /nfs/dbraw/zinc/33/19/83/562331983.db2.gz KBBJNBFVAUEQNY-DYXWJJEUSA-N 1 0 351.450 2.333 20 30 FEEDRO CC1(N2CCOCC2)CC[NH+](CCC(=O)Nc2sccc2C#N)CC1 ZINC000528729625 562344530 /nfs/dbraw/zinc/34/45/30/562344530.db2.gz IITGEYNFRNJEMO-UHFFFAOYSA-N 1 0 362.499 2.135 20 30 FEEDRO COc1ccc([C@H](C[NH+]2CCCC2)NC(=O)Cc2ccc(C#N)nc2)cc1 ZINC000528943047 562353848 /nfs/dbraw/zinc/35/38/48/562353848.db2.gz LKDUOYMAEQVKRQ-FQEVSTJZSA-N 1 0 364.449 2.458 20 30 FEEDRO CC(C)(Oc1ccc(C#N)cc1)C(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000529913783 562391347 /nfs/dbraw/zinc/39/13/47/562391347.db2.gz MXYBGBIHBDURGZ-UHFFFAOYSA-N 1 0 371.481 2.429 20 30 FEEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+]2C[C@H](O)C[C@@H]2C)c1C#N ZINC000530361214 562408204 /nfs/dbraw/zinc/40/82/04/562408204.db2.gz CBLRFWSQZFVNNM-XJKSGUPXSA-N 1 0 370.453 2.402 20 30 FEEDRO COc1ccc(C[NH2+]Cc2ccc(C(N)=O)nc2)cc1OCCCC#N ZINC000531248206 562439634 /nfs/dbraw/zinc/43/96/34/562439634.db2.gz FGQFFFYOLMWRQN-UHFFFAOYSA-N 1 0 354.410 2.161 20 30 FEEDRO COC[C@@H]1CC[N@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC000532583983 562482252 /nfs/dbraw/zinc/48/22/52/562482252.db2.gz OWYQXIASYOMNQV-OAHLLOKOSA-N 1 0 354.372 2.141 20 30 FEEDRO N#Cc1ccc(F)c(CS(=O)(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000534305914 562530869 /nfs/dbraw/zinc/53/08/69/562530869.db2.gz LUQIULOZIFRXOM-GOSISDBHSA-N 1 0 373.453 2.391 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N(C)C[C@H]1CCN(C(C)=O)C1)C(C)C ZINC000534376535 562532980 /nfs/dbraw/zinc/53/29/80/562532980.db2.gz GPSWTCMXGPHFSM-RTBURBONSA-N 1 0 364.534 2.195 20 30 FEEDRO C=C(C)[C@@H](CC(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1)OCC ZINC000534427239 562534044 /nfs/dbraw/zinc/53/40/44/562534044.db2.gz FORHSXIUQAZYBO-WOJBJXKFSA-N 1 0 359.514 2.463 20 30 FEEDRO N#Cc1ccc(CN(CC(=O)NC2CC[NH+](C3CC3)CC2)C2CC2)cc1 ZINC000541314546 562608869 /nfs/dbraw/zinc/60/88/69/562608869.db2.gz GZMWPQQBXOJFIM-UHFFFAOYSA-N 1 0 352.482 2.266 20 30 FEEDRO C=CCOc1c(Cl)cc(CN2CC[C@@H]3OCC(=O)N[C@H]3C2)cc1OC ZINC000628304860 567829336 /nfs/dbraw/zinc/82/93/36/567829336.db2.gz YIVZVACANKGHIN-GJZGRUSLSA-N 1 0 366.845 2.003 20 30 FEEDRO CC[NH+](CC)C[C@H](C)NS(=O)(=O)c1cccc(Br)c1C#N ZINC000568122112 567888802 /nfs/dbraw/zinc/88/88/02/567888802.db2.gz VQRHPQPHTLQHCY-NSHDSACASA-N 1 0 374.304 2.329 20 30 FEEDRO CC1([NH+]2CCCC2)CCN(C(=O)C(=O)Nc2cccc(CC#N)c2)CC1 ZINC000602058988 567915165 /nfs/dbraw/zinc/91/51/65/567915165.db2.gz WMUQAUOSVZWCCJ-UHFFFAOYSA-N 1 0 354.454 2.168 20 30 FEEDRO Cc1ccc([C@@H](CNC(=O)N2CCN(CCC#N)CC2)[NH+]2CCCC2)cc1 ZINC000602240304 567955342 /nfs/dbraw/zinc/95/53/42/567955342.db2.gz JSZGOUMBJMKEPI-HXUWFJFHSA-N 1 0 369.513 2.373 20 30 FEEDRO C[C@H](CCC#N)C[NH2+]Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 ZINC000602525994 567987773 /nfs/dbraw/zinc/98/77/73/567987773.db2.gz DBPGVSXWHGTOOQ-WBVHZDCISA-N 1 0 365.499 2.173 20 30 FEEDRO C=CCCSCCNC(=O)c1nnn(C2CC[NH2+]CC2)c1C(F)F ZINC000602533122 567992009 /nfs/dbraw/zinc/99/20/09/567992009.db2.gz ZMLMTBMNCOMSIG-UHFFFAOYSA-N 1 0 359.446 2.179 20 30 FEEDRO C=C(C)C[C@H](NC(=O)c1sc2c(c1Br)CNC2)C(=O)OC ZINC000602601058 568000566 /nfs/dbraw/zinc/00/05/66/568000566.db2.gz QOHCDDQBVXFBCT-VIFPVBQESA-N 1 0 373.272 2.351 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)NC[C@H]2c3ccccc3C(=O)N2C)CC1 ZINC000636743110 568000886 /nfs/dbraw/zinc/00/08/86/568000886.db2.gz VQJCPSQAGYFJTI-SFHVURJKSA-N 1 0 356.470 2.153 20 30 FEEDRO C/C=C\c1ccc(OC[C@H](O)C[NH+]2C[C@H](C)N(CC#N)[C@@H](C)C2)c(OC)c1 ZINC000602854906 568002112 /nfs/dbraw/zinc/00/21/12/568002112.db2.gz DQIHZHGWWJYLCD-QBLZDLJOSA-N 1 0 373.497 2.386 20 30 FEEDRO CCNS(=O)(=O)c1cccc(C[NH2+][C@H](C)CC2(C#N)CCOCC2)c1 ZINC000602689252 568011655 /nfs/dbraw/zinc/01/16/55/568011655.db2.gz AWWARTPORZHVOE-OAHLLOKOSA-N 1 0 365.499 2.173 20 30 FEEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+]Cc2ccnc(N3CCCC3)c2)c1 ZINC000568501370 568038376 /nfs/dbraw/zinc/03/83/76/568038376.db2.gz VNKYGUIWSBEMRA-UHFFFAOYSA-N 1 0 370.478 2.117 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+]CCc2c(F)cccc2F)cc1 ZINC000568461783 568040211 /nfs/dbraw/zinc/04/02/11/568040211.db2.gz CCSYFHCOSWBZCH-UHFFFAOYSA-N 1 0 350.390 2.442 20 30 FEEDRO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)n1cc([C@@H]2CCC[NH2+]C2)nn1 ZINC000603194212 568072458 /nfs/dbraw/zinc/07/24/58/568072458.db2.gz GCZIWMQXEADZKN-LSDHHAIUSA-N 1 0 370.432 2.392 20 30 FEEDRO Cc1nccc([C@H]2CCC[N@H+](C[C@@H](O)COc3ccc(C#N)cc3)C2)n1 ZINC000603834448 568158796 /nfs/dbraw/zinc/15/87/96/568158796.db2.gz UGWJHVTVVUIIKF-ZWKOTPCHSA-N 1 0 352.438 2.276 20 30 FEEDRO COC(=O)c1cccc(CN2CC[C@H](C(F)(F)F)[C@H](CO)C2)c1C#N ZINC000556829119 674423021 /nfs/dbraw/zinc/42/30/21/674423021.db2.gz XFXGNGCEIXEXRX-WFASDCNBSA-N 1 0 356.344 2.338 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=S)Nc2ccccc2-c2nn[nH]n2)CC1 ZINC000735398623 598357847 /nfs/dbraw/zinc/35/78/47/598357847.db2.gz LRTOPPBRNVVSCF-UHFFFAOYSA-N 1 0 357.487 2.194 20 30 FEEDRO C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)NCC[N@@H+](CC)C(C)C ZINC000735420772 598362062 /nfs/dbraw/zinc/36/20/62/598362062.db2.gz UBCFCFGPIFYEQA-UHFFFAOYSA-N 1 0 371.489 2.295 20 30 FEEDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1S(=O)(=O)Cc1cc(C#N)ccc1F ZINC000557852311 674471124 /nfs/dbraw/zinc/47/11/24/674471124.db2.gz DEYDXYLFUZJBNY-SUMWQHHRSA-N 1 0 351.447 2.086 20 30 FEEDRO C#C[C@@H](NC(=O)NCCN1CCC([NH+](C)C)CC1)c1ccc(Cl)cc1 ZINC000812180812 674654556 /nfs/dbraw/zinc/65/45/56/674654556.db2.gz CGTCGGNBSZANPP-GOSISDBHSA-N 1 0 362.905 2.340 20 30 FEEDRO C#CC[N@H+](C)CCCNS(=O)(=O)c1ccc(C(F)(F)F)c(F)c1 ZINC000815082275 674914054 /nfs/dbraw/zinc/91/40/54/674914054.db2.gz IOTVVFHROLNOCR-UHFFFAOYSA-N 1 0 352.353 2.078 20 30 FEEDRO C#CC[N@@H+](C)CCCNS(=O)(=O)c1ccc(OCC)c2ccccc21 ZINC000815083057 674914522 /nfs/dbraw/zinc/91/45/22/674914522.db2.gz NPVJYQSGRPYPMQ-UHFFFAOYSA-N 1 0 360.479 2.472 20 30 FEEDRO C=CCOc1cccc(C[N@H+]2CCC[C@@H](CN(C)S(C)(=O)=O)C2)c1 ZINC000564312568 674993995 /nfs/dbraw/zinc/99/39/95/674993995.db2.gz OPACVHGZCQZJTG-KRWDZBQOSA-N 1 0 352.500 2.355 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@H](CC)OC ZINC001048564469 675010495 /nfs/dbraw/zinc/01/04/95/675010495.db2.gz OUPPOYABOWBENA-BDPHEOEISA-N 1 0 350.503 2.362 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC001048570649 675010709 /nfs/dbraw/zinc/01/07/09/675010709.db2.gz UBKTYOAOBHNXAM-PJVZLEMVSA-N 1 0 350.503 2.363 20 30 FEEDRO CC[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@@H]2C1 ZINC001048947928 675019643 /nfs/dbraw/zinc/01/96/43/675019643.db2.gz OSEFQJUJONZXMM-NONVJHHQSA-N 1 0 359.495 2.325 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3nc(C)cs3)C[C@@H]2C1 ZINC001049111499 675023403 /nfs/dbraw/zinc/02/34/03/675023403.db2.gz UBSHXASJRNDVKJ-DFGXFYAUSA-N 1 0 361.511 2.323 20 30 FEEDRO CN(CCC#N)C[C@@H](O)C[NH2+][C@@H]1CCc2c1ccc(F)c2Br ZINC000564859650 675069589 /nfs/dbraw/zinc/06/95/89/675069589.db2.gz WVVILDVYQXEQEH-XHDPSFHLSA-N 1 0 370.266 2.371 20 30 FEEDRO C=C(Br)CNC(=O)C(=O)Nc1cccc(C[NH+](CC)CC)c1 ZINC000069279833 670483107 /nfs/dbraw/zinc/48/31/07/670483107.db2.gz ILYJDQBOSABNMG-UHFFFAOYSA-N 1 0 368.275 2.492 20 30 FEEDRO CC[C@H](CSC)[N@H+](C)CN1CC(=O)N(Cc2ccccc2C#N)C1=O ZINC000091024760 670716060 /nfs/dbraw/zinc/71/60/60/670716060.db2.gz YYWFPTPNSFVVEU-MRXNPFEDSA-N 1 0 360.483 2.353 20 30 FEEDRO CC[C@H](CSC)[N@H+](C)CN1CC(=O)N(Cc2ccc(C#N)cc2)C1=O ZINC000091024106 670716348 /nfs/dbraw/zinc/71/63/48/670716348.db2.gz KBBIQSHTOLAIGS-MRXNPFEDSA-N 1 0 360.483 2.353 20 30 FEEDRO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000106867885 670814803 /nfs/dbraw/zinc/81/48/03/670814803.db2.gz SWIFFXQZWQORQG-DEYYWGMASA-N 1 0 352.479 2.028 20 30 FEEDRO CC1CCN([C@H](C[NH2+]C[C@@H](O)CN(C)CCC#N)c2cccs2)CC1 ZINC000565762836 675149400 /nfs/dbraw/zinc/14/94/00/675149400.db2.gz ZCUQHXYKEDTNJO-QZTJIDSGSA-N 1 0 364.559 2.317 20 30 FEEDRO C[C@@H]([NH2+]CC(=O)Nc1ccc(S(C)(=O)=O)cc1)c1ccc(C#N)cc1 ZINC000572224439 670975103 /nfs/dbraw/zinc/97/51/03/670975103.db2.gz RDFMOQHXJSKJBC-CYBMUJFWSA-N 1 0 357.435 2.251 20 30 FEEDRO COCCN(CC[NH+](C)C)C(=O)c1cc(C2CC2)nc(SC)c1C#N ZINC000572366497 670993399 /nfs/dbraw/zinc/99/33/99/670993399.db2.gz UHEYZOJEFWWIBS-UHFFFAOYSA-N 1 0 362.499 2.203 20 30 FEEDRO CC(C)[NH2+]CCCNC(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000572705800 671034892 /nfs/dbraw/zinc/03/48/92/671034892.db2.gz MPKJGJOYOAGMQW-UHFFFAOYSA-N 1 0 363.893 2.431 20 30 FEEDRO CN(CCC#N)C[C@@H](O)C[NH2+][C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000574312738 671225528 /nfs/dbraw/zinc/22/55/28/671225528.db2.gz RVXQYCDSTOKOOJ-HRCADAONSA-N 1 0 352.276 2.101 20 30 FEEDRO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1c1cc(Br)c(C#N)cc1F ZINC000574770949 671275995 /nfs/dbraw/zinc/27/59/95/671275995.db2.gz NCCTUZSVHDNRPE-WDEREUQCSA-N 1 0 356.239 2.351 20 30 FEEDRO CC(C)[C@H]1C[C@@H](C[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)CCO1 ZINC000575053658 671295647 /nfs/dbraw/zinc/29/56/47/671295647.db2.gz UBSCYZTVLUHABI-FUHWJXTLSA-N 1 0 350.484 2.373 20 30 FEEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000577221340 671425579 /nfs/dbraw/zinc/42/55/79/671425579.db2.gz GKGURFIHMGZHAP-CYBMUJFWSA-N 1 0 355.891 2.174 20 30 FEEDRO N#CCN1CCC([NH2+]Cc2cc3c(c(Br)c2)OCO3)CC1 ZINC000609334683 675918688 /nfs/dbraw/zinc/91/86/88/675918688.db2.gz AYZRKNPUFGJCSE-UHFFFAOYSA-N 1 0 352.232 2.255 20 30 FEEDRO CN(CCC#N)C[C@H](O)C[NH2+][C@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000578981660 671703595 /nfs/dbraw/zinc/70/35/95/671703595.db2.gz RLIVZCCZPPOOOP-LSDHHAIUSA-N 1 0 371.312 2.368 20 30 FEEDRO C[N@@H+]1CCN(C(=O)COc2ccc(C#N)c(Br)c2)CC1(C)C ZINC000579024659 671706940 /nfs/dbraw/zinc/70/69/40/671706940.db2.gz RSUFYFDEQRZLPT-UHFFFAOYSA-N 1 0 366.259 2.252 20 30 FEEDRO C=CCOc1ccccc1C[N@H+]1CCC[C@@H](CN(C)S(C)(=O)=O)C1 ZINC000579407865 671733274 /nfs/dbraw/zinc/73/32/74/671733274.db2.gz NLYYSMQFFCAOBQ-INIZCTEOSA-N 1 0 352.500 2.355 20 30 FEEDRO N#Cc1cc(S(=O)(=O)N2CCCC[C@@H]2[C@H]2CC[NH2+]C2)ccc1Cl ZINC000580174835 671787938 /nfs/dbraw/zinc/78/79/38/671787938.db2.gz PWHAIXUKQMJYON-BLLLJJGKSA-N 1 0 353.875 2.364 20 30 FEEDRO C#CCSCCNC(=O)NC[C@@H](c1ccccc1OC)[NH+]1CCCC1 ZINC000118962051 671889597 /nfs/dbraw/zinc/88/95/97/671889597.db2.gz BASYZXYGTABQSH-KRWDZBQOSA-N 1 0 361.511 2.498 20 30 FEEDRO COC1([C@H](C)[NH2+]CC(=O)Nc2sc(C)c(C)c2C#N)CCOCC1 ZINC000582778996 672033222 /nfs/dbraw/zinc/03/32/22/672033222.db2.gz QFAUDEGBJPNFEY-ZDUSSCGKSA-N 1 0 351.472 2.349 20 30 FEEDRO Cc1nc(CNC(NCC(=O)N(C)C)=[NH+][C@@H]2CCCC[C@@H]2C)sc1C ZINC000127801546 672041760 /nfs/dbraw/zinc/04/17/60/672041760.db2.gz TYKTWVSASPNDIP-SWLSCSKDSA-N 1 0 365.547 2.462 20 30 FEEDRO C[C@@H]1CC[N@H+](CCNC(=O)COc2ccc(C#N)c(Br)c2)C1 ZINC000583184459 672071136 /nfs/dbraw/zinc/07/11/36/672071136.db2.gz IXNGVIKWSQHXJE-GFCCVEGCSA-N 1 0 366.259 2.158 20 30 FEEDRO [NH2+]=C(NCCCO[C@H]1CCOC1)NCc1ccc(OC(F)(F)F)cc1 ZINC000134053171 672118986 /nfs/dbraw/zinc/11/89/86/672118986.db2.gz VQYPAFRPAJKZDF-AWEZNQCLSA-N 1 0 361.364 2.185 20 30 FEEDRO CC[NH+]=C(NCc1nnc2n1CCCC2)N1CCS[C@@H](C(C)C)C1 ZINC000153771310 672204571 /nfs/dbraw/zinc/20/45/71/672204571.db2.gz QORAQSILGRLQFC-CQSZACIVSA-N 1 0 350.536 2.153 20 30 FEEDRO C[C@H]1CN(S(=O)(=O)Cc2cc(C#N)ccc2F)CC[N@@H+](C2CCC2)C1 ZINC000584756268 672212673 /nfs/dbraw/zinc/21/26/73/672212673.db2.gz TZVDYTZXSATDSY-CQSZACIVSA-N 1 0 365.474 2.333 20 30 FEEDRO CC(C)N(CC(F)(F)F)C(=O)CON=C(N)c1ccc2c(c1)CCO2 ZINC000158182587 672266949 /nfs/dbraw/zinc/26/69/49/672266949.db2.gz VWQNNOTXHXWKGW-UHFFFAOYSA-N 1 0 359.348 2.058 20 30 FEEDRO C[NH+]=C(NCCc1nccs1)N[C@@H]1CCN(c2ncccc2Cl)C1 ZINC000158942985 672274784 /nfs/dbraw/zinc/27/47/84/672274784.db2.gz VSDSUZAVONGDFV-GFCCVEGCSA-N 1 0 364.906 2.178 20 30 FEEDRO C[NH+]=C(NCc1nc(C)cs1)N[C@H]1CCN(c2ncccc2Cl)C1 ZINC000158976562 672275384 /nfs/dbraw/zinc/27/53/84/672275384.db2.gz FDWBQWUPFHRYDN-LBPRGKRZSA-N 1 0 364.906 2.444 20 30 FEEDRO C=CCCS(=O)(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000167072351 672320140 /nfs/dbraw/zinc/32/01/40/672320140.db2.gz VLXCFMZWNWFRBX-ROUUACIJSA-N 1 0 357.564 2.161 20 30 FEEDRO COCCNC(=[NH2+])NC[C@@H](c1ccccc1)N1CCc2sccc2C1 ZINC000171144503 672329874 /nfs/dbraw/zinc/32/98/74/672329874.db2.gz KFEXKYMCTHASHI-KRWDZBQOSA-N 1 0 358.511 2.398 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)NC[C@H](CC(C)C)NC(=O)OCC)CC1 ZINC000171716594 672335224 /nfs/dbraw/zinc/33/52/24/672335224.db2.gz ZEZLICVGCMODFR-INIZCTEOSA-N 1 0 354.495 2.097 20 30 FEEDRO CCOC(=O)CCC1CC[NH+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC1 ZINC000610995827 676009580 /nfs/dbraw/zinc/00/95/80/676009580.db2.gz GBVLFKWTJBUZRQ-BEFAXECRSA-N 1 0 351.491 2.485 20 30 FEEDRO O=C(NCC[NH2+]Cc1ccc(F)cc1Br)C1N=CC=CC1=O ZINC000178624678 672393433 /nfs/dbraw/zinc/39/34/33/672393433.db2.gz FTEJOJRSYIUILB-PFONDFGASA-N 1 0 368.206 2.204 20 30 FEEDRO C[NH+]=C(NCc1nc(C)c(C)s1)N1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000179094567 672398852 /nfs/dbraw/zinc/39/88/52/672398852.db2.gz VSOYPWLGBJOCEY-ZDUSSCGKSA-N 1 0 352.504 2.499 20 30 FEEDRO CN(CCC#N)C(=O)CC[N@@H+]1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000181556624 672427902 /nfs/dbraw/zinc/42/79/02/672427902.db2.gz VEOOTSAEFWDJOY-OAHLLOKOSA-N 1 0 352.479 2.080 20 30 FEEDRO CCOc1ccc([C@@H](C)[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)cc1 ZINC000588963784 672496180 /nfs/dbraw/zinc/49/61/80/672496180.db2.gz JWAALZMJQHMZBG-CQSZACIVSA-N 1 0 359.451 2.476 20 30 FEEDRO CS[C@@H]1CN(C(=O)[C@H]2CCCN2c2ccc(C#N)cc2)C[C@H]1[NH+](C)C ZINC000611217544 676026029 /nfs/dbraw/zinc/02/60/29/676026029.db2.gz KWOSBLDVNCKCPC-KZNAEPCWSA-N 1 0 358.511 2.031 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+]C[C@H]2OCCc3ccccc32)cc1 ZINC000591739525 672707066 /nfs/dbraw/zinc/70/70/66/672707066.db2.gz AVJYTFPLRJKPIT-LJQANCHMSA-N 1 0 356.447 2.236 20 30 FEEDRO CC(C)[C@@H](C[NH2+]CCS(=O)(=O)c1cccc(C#N)c1)c1ccnn1C ZINC000591763529 672708867 /nfs/dbraw/zinc/70/88/67/672708867.db2.gz WHSZMJYOTVXLQY-QGZVFWFLSA-N 1 0 360.483 2.095 20 30 FEEDRO Cc1cc(CC[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)cc(C)c1O ZINC000591762922 672709003 /nfs/dbraw/zinc/70/90/03/672709003.db2.gz HKNWKZPRCXIHQO-UHFFFAOYSA-N 1 0 358.463 2.487 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNS(=O)(=O)c1ncn(C)c1Cl)C(C)C ZINC000193098077 672711969 /nfs/dbraw/zinc/71/19/69/672711969.db2.gz JEVRYQTYUSQPJS-ZDUSSCGKSA-N 1 0 360.911 2.050 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)NC[C@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000194148157 672749017 /nfs/dbraw/zinc/74/90/17/672749017.db2.gz GRQQHSMSYJSYNM-AWEZNQCLSA-N 1 0 354.495 2.239 20 30 FEEDRO N#CCCC[C@H]([NH3+])C(=O)N[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000592124394 672761037 /nfs/dbraw/zinc/76/10/37/672761037.db2.gz BJHSBABHKIALGU-HIFRSBDPSA-N 1 0 365.275 2.165 20 30 FEEDRO CCO[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(c3sccc3C#N)C2=O)[C@@H]1SC ZINC000592172749 672767296 /nfs/dbraw/zinc/76/72/96/672767296.db2.gz KABFWOZGYJKFJY-SYQHCUMBSA-N 1 0 351.497 2.224 20 30 FEEDRO CC[C@@H]1CN(S(=O)(=O)c2ccc(C#N)c(Br)c2)CC[C@@H]1[NH3+] ZINC000592381771 672794951 /nfs/dbraw/zinc/79/49/51/672794951.db2.gz DNQAJSIPBDPIJM-YGRLFVJLSA-N 1 0 372.288 2.069 20 30 FEEDRO N#Cc1ccsc1NC(=O)CC[NH2+][C@H]([C@@H]1CCCO1)C1(CO)CCC1 ZINC000592432186 672801468 /nfs/dbraw/zinc/80/14/68/672801468.db2.gz KUTZXJCIEXINPZ-GOEBONIOSA-N 1 0 363.483 2.248 20 30 FEEDRO N#CCCC[C@H]([NH3+])C(=O)N1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000592963308 672859780 /nfs/dbraw/zinc/85/97/80/672859780.db2.gz LCFYRAQOQZJORV-STQMWFEESA-N 1 0 356.348 2.101 20 30 FEEDRO COCC[N@@H+]1CCN(CC(=O)Nc2ccc(C#N)c(Cl)c2)C(C)(C)C1 ZINC000593101699 672876313 /nfs/dbraw/zinc/87/63/13/672876313.db2.gz RNRDLENKSDYRLS-UHFFFAOYSA-N 1 0 364.877 2.193 20 30 FEEDRO O=C(NCC[NH2+]Cc1cnc(-c2ccccc2)s1)C1N=CC=CC1=O ZINC000255756407 672896339 /nfs/dbraw/zinc/89/63/39/672896339.db2.gz RKXWXPDPBKSXNX-WUKNDPDISA-N 1 0 354.435 2.426 20 30 FEEDRO C[C@@H]1CN(C(=[NH2+])N[C@H]2COc3cc(F)c(Br)cc32)CCO1 ZINC000261687969 672901266 /nfs/dbraw/zinc/90/12/66/672901266.db2.gz KNNMXGBLYGFEIU-PELKAZGASA-N 1 0 358.211 2.057 20 30 FEEDRO C[NH+]=C(NC[C@H](C)N1CCc2sccc2C1)NC[C@]1(C)CCCO1 ZINC000261831859 672904132 /nfs/dbraw/zinc/90/41/32/672904132.db2.gz VOJIGCZLFYSXPC-KSSFIOAISA-N 1 0 350.532 2.229 20 30 FEEDRO C[NH+]=C(NCc1csc([C@H](C)OC)n1)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000261968530 672906354 /nfs/dbraw/zinc/90/63/54/672906354.db2.gz QDRYGMFIZTWINZ-SPWCGHHHSA-N 1 0 364.515 2.473 20 30 FEEDRO C=CCNC(=[NH+]C[C@@H]1CCS(=O)(=O)C1)N1CC[C@@H](C)C2(CCC2)C1 ZINC000262450529 672915897 /nfs/dbraw/zinc/91/58/97/672915897.db2.gz VVSGXKUSOWBMIX-CVEARBPZSA-N 1 0 353.532 2.065 20 30 FEEDRO C[C@@H]1CCN(C(NC[C@@H]2CCS(=O)(=O)C2)=[NH+]C2CC2)CC12CCC2 ZINC000262448707 672916010 /nfs/dbraw/zinc/91/60/10/672916010.db2.gz VQBIHIGTZFNWJN-CABCVRRESA-N 1 0 353.532 2.041 20 30 FEEDRO CC[N@@H+]1CC[C@@H](CNC(=O)Cc2ccc(Br)cc2C#N)C1 ZINC000593416094 672920620 /nfs/dbraw/zinc/92/06/20/672920620.db2.gz VUCCTVCMPSABPU-LBPRGKRZSA-N 1 0 350.260 2.321 20 30 FEEDRO C[NH+](C)CCOc1ccc(CNS(=O)(=O)c2ccsc2C#N)cc1 ZINC000593532341 672935267 /nfs/dbraw/zinc/93/52/67/672935267.db2.gz OJFCZPFMZDKGJC-UHFFFAOYSA-N 1 0 365.480 2.039 20 30 FEEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000593598288 672954169 /nfs/dbraw/zinc/95/41/69/672954169.db2.gz NAECQDYAOQPORQ-ZIAGYGMSSA-N 1 0 353.444 2.208 20 30 FEEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCCC1(C[NH3+])CC1 ZINC000593769941 672989544 /nfs/dbraw/zinc/98/95/44/672989544.db2.gz GCMGRGXGKAGGTL-ZDUSSCGKSA-N 1 0 360.483 2.265 20 30 FEEDRO [NH2+]=C(NCc1ccccc1S(=O)(=O)N1CCCCC1)N1CCCCC1 ZINC000303779681 673017593 /nfs/dbraw/zinc/01/75/93/673017593.db2.gz KUWCNENNLPPJIH-UHFFFAOYSA-N 1 0 364.515 2.162 20 30 FEEDRO Cc1cccc(NC(=[NH2+])NCC[C@](O)(c2nccn2C)C(F)(F)F)c1 ZINC000303792001 673018156 /nfs/dbraw/zinc/01/81/56/673018156.db2.gz YBVLQHSGDCRMHU-HNNXBMFYSA-N 1 0 355.364 2.295 20 30 FEEDRO COc1ccc(OC)c(NC(=[NH2+])NC[C@H]2CCN(CC(F)(F)F)C2)c1 ZINC000303883668 673018494 /nfs/dbraw/zinc/01/84/94/673018494.db2.gz ISQIBGPPIQNQGV-LLVKDONJSA-N 1 0 360.380 2.315 20 30 FEEDRO CC[C@@H](CNC(=[NH2+])NCCCN1CCOCC1)Oc1ccccc1Cl ZINC000304754029 673020208 /nfs/dbraw/zinc/02/02/08/673020208.db2.gz YQNKOSDKZGPGNU-HNNXBMFYSA-N 1 0 368.909 2.124 20 30 FEEDRO CCc1cnc(CCNC(=[NH2+])N2CCN(C(=O)OC(C)(C)C)CC2)s1 ZINC000304786623 673020578 /nfs/dbraw/zinc/02/05/78/673020578.db2.gz IPTVYOIJLLIPSM-UHFFFAOYSA-N 1 0 367.519 2.115 20 30 FEEDRO COc1ccc(OC)c(NC(=[NH2+])NCC[S@@](=O)Cc2ccccc2)c1 ZINC000304763497 673020762 /nfs/dbraw/zinc/02/07/62/673020762.db2.gz WWBLATOGAJFUSK-RUZDIDTESA-N 1 0 361.467 2.379 20 30 FEEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(Cc2nc(CC)cs2)CC1 ZINC000594019745 673021735 /nfs/dbraw/zinc/02/17/35/673021735.db2.gz ROUOXCFFSGPSFS-CYBMUJFWSA-N 1 0 364.515 2.360 20 30 FEEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000594071758 673028442 /nfs/dbraw/zinc/02/84/42/673028442.db2.gz QYXUMMSLMBZLST-QLFBSQMISA-N 1 0 360.483 2.364 20 30 FEEDRO C[C@@H]1CN(Cc2csc(NC(=O)[C@@H]([NH3+])CCCCC#N)n2)C[C@@H](C)O1 ZINC000594441360 673071837 /nfs/dbraw/zinc/07/18/37/673071837.db2.gz QYEZCTWDMKCXSL-NFAWXSAZSA-N 1 0 365.503 2.102 20 30 FEEDRO COc1ccc(Cl)cc1N1CC[C@H](NC(=O)[C@@H]([NH3+])CCCCC#N)C1 ZINC000594435945 673072058 /nfs/dbraw/zinc/07/20/58/673072058.db2.gz BJCRYVXZFLLNLF-GJZGRUSLSA-N 1 0 364.877 2.455 20 30 FEEDRO O=C(NCc1nc(C(F)(F)F)n[nH]1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000330130520 673085863 /nfs/dbraw/zinc/08/58/63/673085863.db2.gz PCWCVWXLEUMBJQ-LLVKDONJSA-N 1 0 360.384 2.188 20 30 FEEDRO COc1ccc(C[NH2+]C2CCN(CC#N)CC2)c(Br)c1O ZINC000612804386 676098935 /nfs/dbraw/zinc/09/89/35/676098935.db2.gz ZQFNIKOBEKUGQO-UHFFFAOYSA-N 1 0 354.248 2.241 20 30 FEEDRO N#Cc1cc(F)cc(Cl)c1OCC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000594908532 673177704 /nfs/dbraw/zinc/17/77/04/673177704.db2.gz PFBWGNGVBGYQLI-UHFFFAOYSA-N 1 0 351.809 2.473 20 30 FEEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000419885073 673195778 /nfs/dbraw/zinc/19/57/78/673195778.db2.gz YPXZXZCXXXPTHZ-NWDGAFQWSA-N 1 0 355.891 2.302 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N[C@H]2C[NH2+]CC[C@H]2c2ccc(F)cc2)cc1 ZINC000595117559 673196588 /nfs/dbraw/zinc/19/65/88/673196588.db2.gz HWIBAULRYMBSKN-ROUUACIJSA-N 1 0 359.426 2.121 20 30 FEEDRO C[NH2+]CCc1ccccc1C(=O)N1CCN(c2ccsc2C#N)CC1 ZINC000595255581 673214127 /nfs/dbraw/zinc/21/41/27/673214127.db2.gz FUKBHTMXAUDBEP-UHFFFAOYSA-N 1 0 354.479 2.344 20 30 FEEDRO CC(C)[N@H+](C)C[C@H](O)CN1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000595463981 673254260 /nfs/dbraw/zinc/25/42/60/673254260.db2.gz FCWGSLYBXKOITO-OALUTQOASA-N 1 0 364.921 2.223 20 30 FEEDRO C=CC[NH+]1CCC(NC(=S)NCCc2ccc3c(c2)OCCO3)CC1 ZINC000729943022 673254937 /nfs/dbraw/zinc/25/49/37/673254937.db2.gz XQDKHWWAGVDGKL-UHFFFAOYSA-N 1 0 361.511 2.115 20 30 FEEDRO N#Cc1ccc(NC(=O)CC[N@@H+]2CC[C@H]3NC(=O)CC[C@H]3C2)cc1Cl ZINC000595744964 673288294 /nfs/dbraw/zinc/28/82/94/673288294.db2.gz WTUSOGYIMPTKSX-XJKSGUPXSA-N 1 0 360.845 2.141 20 30 FEEDRO C=CCOc1ccc(C=NNC(=S)NCCC[NH+](C)C)cc1OC ZINC000731928845 673348361 /nfs/dbraw/zinc/34/83/61/673348361.db2.gz PJLNJROPJUZJQS-UHFFFAOYSA-N 1 0 350.488 2.010 20 30 FEEDRO Cc1nn(-c2ccccc2)c(C)c1C=NNC(=S)NCCC[NH+](C)C ZINC000731930703 673348635 /nfs/dbraw/zinc/34/86/35/673348635.db2.gz IMHKCSBFSCXTAT-UHFFFAOYSA-N 1 0 358.515 2.239 20 30 FEEDRO N#Cc1nc(N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)sc1Cl ZINC000596136366 673362066 /nfs/dbraw/zinc/36/20/66/673362066.db2.gz SZXFTNPPPHOZPX-KGLIPLIRSA-N 1 0 362.886 2.963 20 30 FEEDRO N#Cc1nc(N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)sc1Cl ZINC000596136364 673362142 /nfs/dbraw/zinc/36/21/42/673362142.db2.gz SZXFTNPPPHOZPX-KBPBESRZSA-N 1 0 362.886 2.963 20 30 FEEDRO C[C@H]([NH2+]C1CCN(S(=O)(=O)C2CC2)CC1)c1ccc(C#N)c(F)c1 ZINC000537407311 673388151 /nfs/dbraw/zinc/38/81/51/673388151.db2.gz OAJIQJXEYHBNNJ-LBPRGKRZSA-N 1 0 351.447 2.305 20 30 FEEDRO C=CCC[C@H]([NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000537938646 673414459 /nfs/dbraw/zinc/41/44/59/673414459.db2.gz JAEGTSAYOKDGNF-INIZCTEOSA-N 1 0 353.444 2.208 20 30 FEEDRO C[C@@H](CCNC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1)[NH+](C)C ZINC000596833494 673417990 /nfs/dbraw/zinc/41/79/90/673417990.db2.gz XJRSLXXHABUSAO-LBPRGKRZSA-N 1 0 360.849 2.859 20 30 FEEDRO C[NH+](C)CC[C@H](NC(=O)C(=O)NCC1(C#N)CCCCC1)C(C)(C)C ZINC000597275681 673462149 /nfs/dbraw/zinc/46/21/49/673462149.db2.gz JTQUNCWILWLFAJ-HNNXBMFYSA-N 1 0 350.507 2.059 20 30 FEEDRO C[C@H]([NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1)c1ccc(C#N)c(F)c1 ZINC000539606753 673498341 /nfs/dbraw/zinc/49/83/41/673498341.db2.gz NZAMWKCRBXOSBP-SMDDNHRTSA-N 1 0 368.455 2.244 20 30 FEEDRO CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000597862260 673513890 /nfs/dbraw/zinc/51/38/90/673513890.db2.gz YTIPLGCRKLJZQV-KUHUBIRLSA-N 1 0 351.491 2.485 20 30 FEEDRO C[C@@H](CCNC(=O)COc1cccc(Br)c1C#N)[NH+](C)C ZINC000597992419 673527563 /nfs/dbraw/zinc/52/75/63/673527563.db2.gz KJABUEGLAOJUPL-NSHDSACASA-N 1 0 354.248 2.156 20 30 FEEDRO C=CCCOCCCCC(=O)N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000540490026 673542613 /nfs/dbraw/zinc/54/26/13/673542613.db2.gz ROFRUJOCYXHYCD-IBGZPJMESA-N 1 0 351.535 2.376 20 30 FEEDRO CC(C)(C#N)C[C@@H](O)C[NH2+]C[C@H](CO)Cc1ccccc1Br ZINC000598728905 673603986 /nfs/dbraw/zinc/60/39/86/673603986.db2.gz FZIGABJRYXPKQD-UKRRQHHQSA-N 1 0 369.303 2.490 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)COc2cccc(Br)c2)CC1 ZINC000740735967 673651735 /nfs/dbraw/zinc/65/17/35/673651735.db2.gz XQXMKFWHARXUAE-UHFFFAOYSA-N 1 0 365.271 2.432 20 30 FEEDRO CCOC(=O)CCC1CC[NH+](C[C@@H](O)CC2(C#N)CCOCC2)CC1 ZINC000599341867 673661711 /nfs/dbraw/zinc/66/17/11/673661711.db2.gz WLANDYGUCCIAAA-KRWDZBQOSA-N 1 0 352.475 2.113 20 30 FEEDRO CC(C)(C)OC(=O)[C@H]1CCC[N@H+](C[C@H](O)CC2(C#N)CCOCC2)C1 ZINC000599359385 673663400 /nfs/dbraw/zinc/66/34/00/673663400.db2.gz ACUVJANXKKGNKL-JKSUJKDBSA-N 1 0 352.475 2.111 20 30 FEEDRO C[N@H+](C[C@@H](O)CC1(C#N)CCOCC1)C1CCN(CC(F)(F)F)CC1 ZINC000599434605 673675331 /nfs/dbraw/zinc/67/53/31/673675331.db2.gz CTIWXMDIQCWKMT-HNNXBMFYSA-N 1 0 363.424 2.016 20 30 FEEDRO N#Cc1ccc(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000544596410 673719854 /nfs/dbraw/zinc/71/98/54/673719854.db2.gz QKYRVQNMCBZUFH-UHFFFAOYSA-N 1 0 351.409 2.091 20 30 FEEDRO N#Cc1ccc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)c(Cl)c1 ZINC000600065244 673738267 /nfs/dbraw/zinc/73/82/67/673738267.db2.gz YARNAUWYUIDTIW-AWEZNQCLSA-N 1 0 360.845 2.283 20 30 FEEDRO N#CC1(CS(=O)(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CCCC1 ZINC000545365299 673763308 /nfs/dbraw/zinc/76/33/08/673763308.db2.gz RXNCNVWQNVMLLO-NVXWUHKLSA-N 1 0 351.516 2.349 20 30 FEEDRO CCC1([NH+]2CCOCC2)CCN(C(=O)c2ncc(C#N)cc2Cl)CC1 ZINC000600681111 673791363 /nfs/dbraw/zinc/79/13/63/673791363.db2.gz DOJWQBFATMXKFU-UHFFFAOYSA-N 1 0 362.861 2.324 20 30 FEEDRO N#CC1(C[C@@H](O)C[NH2+]CCc2ccc(OC(F)F)cc2)CCOCC1 ZINC000600716239 673793837 /nfs/dbraw/zinc/79/38/37/673793837.db2.gz XOWITYOQKIMMMT-OAHLLOKOSA-N 1 0 354.397 2.491 20 30 FEEDRO C[C@H](C[NH2+]C[C@@H](O)CC1(C#N)CCOCC1)N1CCc2sccc2C1 ZINC000600717361 673794063 /nfs/dbraw/zinc/79/40/63/673794063.db2.gz KOUXPOUNMHYCNQ-WBVHZDCISA-N 1 0 363.527 2.156 20 30 FEEDRO CN(C)C[C@@H]([NH2+]C[C@@H](O)CN(C)CCC#N)c1ccc(Cl)c(Cl)c1 ZINC000600754791 673796722 /nfs/dbraw/zinc/79/67/22/673796722.db2.gz IICPGSFISZOFAK-RHSMWYFYSA-N 1 0 373.328 2.392 20 30 FEEDRO CN(C(=O)c1ccc(C#N)c(Cl)c1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000614621898 676184044 /nfs/dbraw/zinc/18/40/44/676184044.db2.gz VAMPATLWQJCUHL-QGZVFWFLSA-N 1 0 360.889 2.452 20 30 FEEDRO C[NH+](C)Cc1ccsc1C(=O)N1CCN(c2cccc(C#N)n2)CC1 ZINC000546904529 673826947 /nfs/dbraw/zinc/82/69/47/673826947.db2.gz WADPCGRXWXJFNA-UHFFFAOYSA-N 1 0 355.467 2.039 20 30 FEEDRO Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CC[C@H]([NH+]2CCCC2)[C@H]1C ZINC000601415019 673858531 /nfs/dbraw/zinc/85/85/31/673858531.db2.gz PGYUEHNCLGRZFP-CJNGLKHVSA-N 1 0 351.447 2.253 20 30 FEEDRO C[C@@H]1[C@H]([NH+](C)C)CCN1S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000601421062 673859773 /nfs/dbraw/zinc/85/97/73/673859773.db2.gz HYWRIRFPISHWSI-QMTHXVAHSA-N 1 0 372.288 2.034 20 30 FEEDRO COCC[C@@H]([NH3+])Cc1cn(Cc2ccc(C#N)cc2C(F)(F)F)nn1 ZINC000603252068 673920017 /nfs/dbraw/zinc/92/00/17/673920017.db2.gz UOCCERZJKKYVFY-CYBMUJFWSA-N 1 0 353.348 2.123 20 30 FEEDRO C[NH+]1CCC2(CCN(S(=O)(=O)c3cccc(Cl)c3C#N)C2)CC1 ZINC000603377862 673927621 /nfs/dbraw/zinc/92/76/21/673927621.db2.gz FRRGJJIWHMDMEV-UHFFFAOYSA-N 1 0 353.875 2.318 20 30 FEEDRO C[C@@H]1COCC[N@@H+]1C1CCN(c2cc(C#N)c(Br)cn2)CC1 ZINC000603403037 673929859 /nfs/dbraw/zinc/92/98/59/673929859.db2.gz QUNWIKXSIGKRSJ-GFCCVEGCSA-N 1 0 365.275 2.405 20 30 FEEDRO C[C@@H]1CN(C(=O)c2ccc(C#N)c(Cl)c2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000548633585 673982202 /nfs/dbraw/zinc/98/22/02/673982202.db2.gz WBAKOTVNBLVYOI-RDTXWAMCSA-N 1 0 360.889 2.310 20 30 FEEDRO C#CC[N@@H+](C)CCCNC(=O)[C@H](C)SCC(=O)Nc1ccc(C)cc1 ZINC000818615549 675228845 /nfs/dbraw/zinc/22/88/45/675228845.db2.gz PUSXNPXTGCEJIL-INIZCTEOSA-N 1 0 361.511 2.127 20 30 FEEDRO CC[S@](=O)[C@H]1CCC[C@H]([NH2+]CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000566791630 675243145 /nfs/dbraw/zinc/24/31/45/675243145.db2.gz CRRRDKGEAVIKHP-KXNSMUHISA-N 1 0 368.524 2.001 20 30 FEEDRO CSc1ccc(OC[C@@H](O)C[NH2+]CCNc2ccc(C#N)cn2)cc1 ZINC000818952401 675246055 /nfs/dbraw/zinc/24/60/55/675246055.db2.gz KVZWHKUNBVWEBO-HNNXBMFYSA-N 1 0 358.467 2.117 20 30 FEEDRO C[NH+](C)Cc1ccc(N2CCN(c3nccc(C#N)c3Cl)CC2)nc1 ZINC000567133068 675269564 /nfs/dbraw/zinc/26/95/64/675269564.db2.gz OQLZNUINGPGGHD-UHFFFAOYSA-N 1 0 356.861 2.390 20 30 FEEDRO C[C@@H]1C[C@H](NC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000819314264 675280284 /nfs/dbraw/zinc/28/02/84/675280284.db2.gz WGNBEOFYNLCFAT-KFWWJZLASA-N 1 0 352.479 2.172 20 30 FEEDRO CN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](C)C1 ZINC000819313667 675280514 /nfs/dbraw/zinc/28/05/14/675280514.db2.gz JKNLTSCNTCPMME-CABCVRRESA-N 1 0 352.479 2.126 20 30 FEEDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C ZINC000819575552 675302166 /nfs/dbraw/zinc/30/21/66/675302166.db2.gz GAVCXLFHTPBKEF-LSDHHAIUSA-N 1 0 352.479 2.126 20 30 FEEDRO COc1ccc(C)cc1CC[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000567680146 675311894 /nfs/dbraw/zinc/31/18/94/675311894.db2.gz QWCGERAHHUCYBM-UHFFFAOYSA-N 1 0 358.463 2.481 20 30 FEEDRO C[C@H](Cc1cc(Br)ccc1F)[NH2+]C[C@H](O)CN(C)CCC#N ZINC000567891910 675333275 /nfs/dbraw/zinc/33/32/75/675333275.db2.gz YOFITASIMFMRLW-DOMZBBRYSA-N 1 0 372.282 2.315 20 30 FEEDRO C#C[C@H](NC(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1ccc(Cl)cc1 ZINC000820572276 675371623 /nfs/dbraw/zinc/37/16/23/675371623.db2.gz DVXKZLIMFGIJML-BZSNNMDCSA-N 1 0 361.873 2.255 20 30 FEEDRO C#CCN(CC(=O)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1)C(=O)OC(C)(C)C ZINC000822059228 675467604 /nfs/dbraw/zinc/46/76/04/675467604.db2.gz PSXWZDSSISZFHZ-HZPDHXFCSA-N 1 0 351.491 2.093 20 30 FEEDRO C#CCO[C@@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000825838670 675670680 /nfs/dbraw/zinc/67/06/80/675670680.db2.gz FDYIFSJXAQKYCN-BBRMVZONSA-N 1 0 354.372 2.434 20 30 FEEDRO C[NH+](C)[C@@H]1CCC[C@H]1NS(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000617431878 676284831 /nfs/dbraw/zinc/28/48/31/676284831.db2.gz PMGDNMLMTCOLOE-ZIAGYGMSSA-N 1 0 372.288 2.082 20 30 FEEDRO C[N@@H+]1CCC[C@@H](NC(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)C1 ZINC000618202310 676324529 /nfs/dbraw/zinc/32/45/29/676324529.db2.gz XOPCHWRVCQNIGG-OAHLLOKOSA-N 1 0 361.877 2.137 20 30 FEEDRO N#Cc1cc(S(=O)(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)ccc1C(F)(F)F ZINC000619709627 676391671 /nfs/dbraw/zinc/39/16/71/676391671.db2.gz SRADZIOYWJDDSD-CYBMUJFWSA-N 1 0 373.400 2.340 20 30 FEEDRO C=CCNS(=O)(=O)c1ccc(C(=O)NC(C)(C)C[N@@H+](C)CCC)cc1 ZINC000620626011 676423370 /nfs/dbraw/zinc/42/33/70/676423370.db2.gz JLEKHAPMHDDCEK-UHFFFAOYSA-N 1 0 367.515 2.001 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)C(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000625368749 676643183 /nfs/dbraw/zinc/64/31/83/676643183.db2.gz NOGODKABRHBVMD-INIZCTEOSA-N 1 0 361.511 2.396 20 30 FEEDRO C=CC[C@H]1CC[N@@H+](CC(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)C1 ZINC000625701900 676669290 /nfs/dbraw/zinc/66/92/90/676669290.db2.gz UJPQWFQPVCUNJZ-HNNXBMFYSA-N 1 0 365.499 2.082 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639761876 677165360 /nfs/dbraw/zinc/16/53/60/677165360.db2.gz OTQGYVGWDFFESF-APWZRJJASA-N 1 0 365.543 2.040 20 30 FEEDRO C[C@@H](CNC(=O)C(=O)Nc1cccc(C#Cc2cccs2)c1)[NH+](C)C ZINC000643070451 677223102 /nfs/dbraw/zinc/22/31/02/677223102.db2.gz HJXIBIZYVJERGC-AWEZNQCLSA-N 1 0 355.463 2.153 20 30 FEEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CCC(C)([NH3+])CC1 ZINC000643477303 677227020 /nfs/dbraw/zinc/22/70/20/677227020.db2.gz XTBXELQNPUBDDO-UHFFFAOYSA-N 1 0 355.891 2.256 20 30 FEEDRO Cc1cc(NC(=O)CC[NH2+]CC#Cc2cccc(C(F)(F)F)c2)no1 ZINC000644515303 677245050 /nfs/dbraw/zinc/24/50/50/677245050.db2.gz CIZSVFCZNKHODM-UHFFFAOYSA-N 1 0 351.328 2.972 20 30 FEEDRO C=CCN1CC[C@H]([NH2+][C@@H](CCO)c2cccc(OC(F)(F)F)c2)C1=O ZINC000646017542 677277031 /nfs/dbraw/zinc/27/70/31/677277031.db2.gz YMLHHGCKRVDNNP-GJZGRUSLSA-N 1 0 358.360 2.385 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000656360474 677749273 /nfs/dbraw/zinc/74/92/73/677749273.db2.gz UAIINQKRRIANLM-IRXDYDNUSA-N 1 0 361.511 2.396 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)NCC2(CC(N)=O)CCCCC2)CC1 ZINC000660596662 678362440 /nfs/dbraw/zinc/36/24/40/678362440.db2.gz HZVYUKCFDKLKBV-UHFFFAOYSA-N 1 0 350.507 2.152 20 30 FEEDRO N#Cc1ccc([C@H](O)C[NH2+]C[C@@H](c2cccs2)N2CCOCC2)cc1 ZINC000763227201 680776544 /nfs/dbraw/zinc/77/65/44/680776544.db2.gz XDECVUAXMZSVAK-ZWKOTPCHSA-N 1 0 357.479 2.316 20 30 FEEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]CC(=O)NCc1ccc(S(C)(=O)=O)cc1 ZINC000661115415 678437207 /nfs/dbraw/zinc/43/72/07/678437207.db2.gz RRAHYNIZPXIPKN-FUHWJXTLSA-N 1 0 364.511 2.431 20 30 FEEDRO C[C@@H]1CN(C(=S)Nc2ccccc2C#N)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000763297465 680779029 /nfs/dbraw/zinc/77/90/29/680779029.db2.gz AZMCOPKFSNJAHX-CRAIPNDOSA-N 1 0 357.527 2.213 20 30 FEEDRO C[C@H](O)[C@H]1CCC[N@@H+]1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000661769485 678531821 /nfs/dbraw/zinc/53/18/21/678531821.db2.gz ISTBCQOMHWOPIL-XJKSGUPXSA-N 1 0 354.372 2.018 20 30 FEEDRO C=CCNC(=O)Nc1ccc(NC(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)cc1 ZINC000662461470 678624397 /nfs/dbraw/zinc/62/43/97/678624397.db2.gz BYNHNFGVZBHEAW-HNNXBMFYSA-N 1 0 356.348 2.475 20 30 FEEDRO CN([C@@H](C[NH3+])C(F)(F)F)S(=O)(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000663310458 678721766 /nfs/dbraw/zinc/72/17/66/678721766.db2.gz GVXYOOUBCIBNKR-VIFPVBQESA-N 1 0 368.274 2.355 20 30 FEEDRO O=C(C#Cc1cccs1)NCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000840531819 680829801 /nfs/dbraw/zinc/82/98/01/680829801.db2.gz NMAQBKUWWSDYOS-UHFFFAOYSA-N 1 0 354.475 2.243 20 30 FEEDRO C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1C[C@@H](C)S[C@H](C)C1 ZINC000669033957 679216223 /nfs/dbraw/zinc/21/62/23/679216223.db2.gz DSVLZFWZCYZCIH-FPCVCCKLSA-N 1 0 363.531 2.330 20 30 FEEDRO C=C(C)Cn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N(C)[C@H]1CCSC1 ZINC000669336536 679230036 /nfs/dbraw/zinc/23/00/36/679230036.db2.gz KPQMOQVJDSRHCB-PMPSAXMXSA-N 1 0 363.531 2.332 20 30 FEEDRO C#CCC[NH+]1CCC(NS(=O)(=O)c2ccc(OCC)cc2C)CC1 ZINC000840951895 680856493 /nfs/dbraw/zinc/85/64/93/680856493.db2.gz LTSCKSLBYHSUNG-UHFFFAOYSA-N 1 0 350.484 2.160 20 30 FEEDRO Cc1cc(Sc2ncccn2)ccc1NC(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000841097270 680863117 /nfs/dbraw/zinc/86/31/17/680863117.db2.gz IAEVUXWTJSLHSU-SWLSCSKDSA-N 1 0 354.439 2.169 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CCCC2CCOCC2)C1 ZINC001008584696 679918896 /nfs/dbraw/zinc/91/88/96/679918896.db2.gz XSZGRHSHNAMLDA-QRVBRYPASA-N 1 0 350.503 2.365 20 30 FEEDRO CN(CCC#N)C(=O)CC[N@H+](C)C1(CNC(=O)OC(C)(C)C)CCC1 ZINC000831822440 680048153 /nfs/dbraw/zinc/04/81/53/680048153.db2.gz BXGXRIUHPNMMOG-UHFFFAOYSA-N 1 0 352.479 2.128 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]C[C@@H](O)c2ccccc2Cl)C1 ZINC001020604498 680111984 /nfs/dbraw/zinc/11/19/84/680111984.db2.gz ABXVHLPVADMISC-GZMRBYKVSA-N 1 0 364.873 2.201 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2csnc2OC)C1 ZINC001020714861 680113341 /nfs/dbraw/zinc/11/33/41/680113341.db2.gz YPVFSYLOKCXZGQ-VGWMRTNUSA-N 1 0 365.499 2.260 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C[C@H](NC(=O)OC(C)(C)C)C2CC2)CC1 ZINC000751595275 680188868 /nfs/dbraw/zinc/18/88/68/680188868.db2.gz HPWMIQIWPSJMLQ-INIZCTEOSA-N 1 0 351.491 2.446 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)N[C@H](CNC(=O)OC(C)(C)C)C(F)(F)F ZINC000912061303 685307019 /nfs/dbraw/zinc/30/70/19/685307019.db2.gz RWEQFEGKIACNJD-LLVKDONJSA-N 1 0 353.385 2.066 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[N@@H+](CC2CC(OCC)C2)CC1 ZINC000981186230 680219061 /nfs/dbraw/zinc/21/90/61/680219061.db2.gz PZYXSEGRJRELGA-GMNCBBECSA-N 1 0 350.503 2.317 20 30 FEEDRO CC(C)Oc1ccc(-c2nc(C(=O)N[C@H]3C[NH2+]C[C@H]3C#N)cs2)cc1 ZINC000834493116 680234535 /nfs/dbraw/zinc/23/45/35/680234535.db2.gz ARDLLBQQIPFEQZ-HIFRSBDPSA-N 1 0 356.451 2.439 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCc2c(F)cccc2F)C1 ZINC001022737302 680234543 /nfs/dbraw/zinc/23/45/43/680234543.db2.gz STRRUVNBQNXAIU-OSDKZWGASA-N 1 0 350.409 2.335 20 30 FEEDRO Cn1c(C(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)ccc1-c1ccccc1Br ZINC000834495404 680235022 /nfs/dbraw/zinc/23/50/22/680235022.db2.gz VKYSBNLLOPDNBD-BXUZGUMPSA-N 1 0 373.254 2.296 20 30 FEEDRO Cc1noc(C)c1CSc1ccccc1C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000834516826 680237098 /nfs/dbraw/zinc/23/70/98/680237098.db2.gz MKVSNHGHWDZRGC-CZUORRHYSA-N 1 0 356.451 2.425 20 30 FEEDRO Cc1noc(C)c1CSc1ccccc1C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000834516827 680237222 /nfs/dbraw/zinc/23/72/22/680237222.db2.gz MKVSNHGHWDZRGC-XJKSGUPXSA-N 1 0 356.451 2.425 20 30 FEEDRO CN(Cc1cccs1)c1ccc(C=[NH+]N[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000834911680 680281811 /nfs/dbraw/zinc/28/18/11/680281811.db2.gz FVTGNXQKIWJPMH-OAHLLOKOSA-N 1 0 363.508 2.495 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ncc(Cl)n2C)C1 ZINC000983698444 680322075 /nfs/dbraw/zinc/32/20/75/680322075.db2.gz MSLSOUFZBCMDPU-TUVASFSCSA-N 1 0 366.893 2.039 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2cc(OC)ns2)C1 ZINC000983699580 680322432 /nfs/dbraw/zinc/32/24/32/680322432.db2.gz WJAAZCIOBONPKD-XOUADPBQSA-N 1 0 365.499 2.117 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC([NH2+]Cc2ncc(Cl)n2C)CC1 ZINC000997079581 680346832 /nfs/dbraw/zinc/34/68/32/680346832.db2.gz INUAHDWTLCCVEL-YOEHRIQHSA-N 1 0 366.893 2.135 20 30 FEEDRO N#Cc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]cn3)C2)s1 ZINC001026896739 680352505 /nfs/dbraw/zinc/35/25/05/680352505.db2.gz 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C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](CCC2CCOCC2)C1 ZINC001033497989 680424515 /nfs/dbraw/zinc/42/45/15/680424515.db2.gz QOJPLPWYZSJXMK-QYZOEREBSA-N 1 0 350.503 2.317 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](CCOC2CCC2)C1 ZINC001033495833 680424570 /nfs/dbraw/zinc/42/45/70/680424570.db2.gz BISWTKLSAMCISX-NEWSRXKRSA-N 1 0 350.503 2.460 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)NC1(C2CC[NH+](C[C@@H](CC)OC)CC2)CC1 ZINC001000264855 680426100 /nfs/dbraw/zinc/42/61/00/680426100.db2.gz NZHXRRMSJCOLIJ-KURKYZTESA-N 1 0 350.503 2.363 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](CC2CCOCC2)C1 ZINC001034215733 680430849 /nfs/dbraw/zinc/43/08/49/680430849.db2.gz BLLDGSXTHRBSAJ-OTWHNJEPSA-N 1 0 350.503 2.365 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](CCn2cc(Cl)cn2)C1 ZINC001034407791 680435251 /nfs/dbraw/zinc/43/52/51/680435251.db2.gz DHIHHCDHQVNNRA-ZACQAIPSSA-N 1 0 366.893 2.098 20 30 FEEDRO 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ZINC001001930716 680482471 /nfs/dbraw/zinc/48/24/71/680482471.db2.gz JUDDAQOJIAFGBK-FHWLQOOXSA-N 1 0 350.503 2.222 20 30 FEEDRO C#CC[N@H+]1CCC[C@H]1COC(=O)[C@H]1CCCCN1C(=O)c1cccs1 ZINC000756541006 680483929 /nfs/dbraw/zinc/48/39/29/680483929.db2.gz FCQOKBGFPDAQRI-JKSUJKDBSA-N 1 0 360.479 2.384 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)NC1CC[NH+](CCC[C@H]2CCOC2)CC1 ZINC001002848319 680510383 /nfs/dbraw/zinc/51/03/83/680510383.db2.gz JFJIXEHSIFNNLF-UHOSZYNNSA-N 1 0 350.503 2.365 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CC[NH+](C[C@@H](OC)C2CCC2)CC1 ZINC001003786809 680542071 /nfs/dbraw/zinc/54/20/71/680542071.db2.gz CCHJIIGTKYQQOC-OTWHNJEPSA-N 1 0 350.503 2.363 20 30 FEEDRO CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@H](Nc2ncc(C#N)cc2Cl)C1)[NH+](C)C ZINC001043270913 680570842 /nfs/dbraw/zinc/57/08/42/680570842.db2.gz RYEYIMCELAVHGM-WQVCFCJDSA-N 1 0 363.893 2.452 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CC[NH+](CCC[C@H]2CCOC2)CC1 ZINC001006023828 680590826 /nfs/dbraw/zinc/59/08/26/680590826.db2.gz 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FEEDRO C=C(C)CC[NH+]1CCC2(CO[C@H](CNC(=O)[C@H]3OCC[C@H]3C)C2)CC1 ZINC001045678796 680638086 /nfs/dbraw/zinc/63/80/86/680638086.db2.gz AUIFORSIZWBLAE-SQNIBIBYSA-N 1 0 350.503 2.365 20 30 FEEDRO C=C(C)C[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2C[C@H]2c2ccnn2C)C1 ZINC001046957834 680654748 /nfs/dbraw/zinc/65/47/48/680654748.db2.gz JOLDFPSABJRDFK-RBSFLKMASA-N 1 0 352.429 2.173 20 30 FEEDRO C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H](Nc3ncc(C#N)cc3Cl)C2)CC[N@@H+]1C ZINC001047065892 680656989 /nfs/dbraw/zinc/65/69/89/680656989.db2.gz QYCYZIQKRVWYQH-QHSBEEBCSA-N 1 0 361.877 2.254 20 30 FEEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)Nc1ccn(-c2ccc(Cl)cc2Cl)n1 ZINC000841170782 680867200 /nfs/dbraw/zinc/86/72/00/680867200.db2.gz ISMXQASEKPXNBT-BXKDBHETSA-N 1 0 365.224 2.412 20 30 FEEDRO C[NH+](C)CCCNC(=S)NN=C1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000841623733 680903792 /nfs/dbraw/zinc/90/37/92/680903792.db2.gz PEWRHTNRQOZOIK-UHFFFAOYSA-N 1 0 363.487 2.441 20 30 FEEDRO N#Cc1ccc(OC[C@@H](O)C[NH2+]C[C@@H](O)c2cc(F)cc(Cl)c2)cc1 ZINC000843111650 680988261 /nfs/dbraw/zinc/98/82/61/680988261.db2.gz LPQNNNWEHZEVEZ-FUHWJXTLSA-N 1 0 364.804 2.414 20 30 FEEDRO CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccc(O[C@@H](C)C#N)cc2)C1 ZINC000843433172 681003707 /nfs/dbraw/zinc/00/37/07/681003707.db2.gz VKIWXKRNWXBQQR-LRDDRELGSA-N 1 0 355.360 2.478 20 30 FEEDRO COC(=O)C[C@@]1([NH2+]Cc2ccc(C#N)cc2OC(F)F)CCCOC1 ZINC000770707656 681024827 /nfs/dbraw/zinc/02/48/27/681024827.db2.gz MBBAYOJBQANTCF-KRWDZBQOSA-N 1 0 354.353 2.362 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCO[C@@H](C[NH2+]Cc2ccsc2)C1 ZINC001051616178 681067957 /nfs/dbraw/zinc/06/79/57/681067957.db2.gz ARRVIXOXQCYQDZ-BBWFWOEESA-N 1 0 350.484 2.046 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CCC2CCOCC2)CC1 ZINC001052723113 681084639 /nfs/dbraw/zinc/08/46/39/681084639.db2.gz QCXDLNREUCDPOB-QRVBRYPASA-N 1 0 350.503 2.365 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCC2(C[NH+](CCC(C)(C)C)C2)O1 ZINC001053662969 681102804 /nfs/dbraw/zinc/10/28/04/681102804.db2.gz BMLGNYLEAWUTIV-ZACQAIPSSA-N 1 0 350.503 2.363 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)N1CCC[C@](O)(c2ccc(Cl)cc2)C1 ZINC000845220745 681111674 /nfs/dbraw/zinc/11/16/74/681111674.db2.gz NESRFHBGZLSUME-LJQANCHMSA-N 1 0 363.889 2.288 20 30 FEEDRO C#CCCCNC(=O)C(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000774922418 681250970 /nfs/dbraw/zinc/25/09/70/681250970.db2.gz XHRFBQLSTLMQKL-INIZCTEOSA-N 1 0 361.511 2.167 20 30 FEEDRO CC[N@H+](CCC(N)=O)CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000932480843 681253183 /nfs/dbraw/zinc/25/31/83/681253183.db2.gz MNYGEXBRVMOLBY-GFCCVEGCSA-N 1 0 362.499 2.270 20 30 FEEDRO CC[N@H+](CCNC(=O)Nc1cnc(OC)c(C#N)c1)CCC(F)(F)F ZINC000932515675 681259793 /nfs/dbraw/zinc/25/97/93/681259793.db2.gz HZTLCHZEQKANJW-UHFFFAOYSA-N 1 0 359.352 2.358 20 30 FEEDRO CC(C)Oc1cc(C(=O)N[C@H]2C[NH2+]C[C@H]2C#N)ccc1Br ZINC000846678391 681275033 /nfs/dbraw/zinc/27/50/33/681275033.db2.gz SLGMHGWALUFWRK-YPMHNXCESA-N 1 0 352.232 2.078 20 30 FEEDRO C[C@@H]([NH2+]CCNS(=O)(=O)c1ccccc1)c1ccc(OCC#N)cc1 ZINC000775337249 681298735 /nfs/dbraw/zinc/29/87/35/681298735.db2.gz YDIRPFZBPIKNLE-OAHLLOKOSA-N 1 0 359.451 2.218 20 30 FEEDRO C#C[C@@H]([NH2+]Cc1cc(Br)c2c(c1)OCCO2)[C@H]1CCCO1 ZINC000775341941 681299169 /nfs/dbraw/zinc/29/91/69/681299169.db2.gz OPHKAHADWQSTLI-ZIAGYGMSSA-N 1 0 352.228 2.491 20 30 FEEDRO C[NH+](C)CCC[C@H]1CN(C(=O)C(F)(F)c2ccccc2C#N)CCO1 ZINC000912732844 685428888 /nfs/dbraw/zinc/42/88/88/685428888.db2.gz IMZWKHNANYKLOT-HNNXBMFYSA-N 1 0 351.397 2.219 20 30 FEEDRO C#C[C@H]([NH2+][C@@H](C)C(=O)N(C)CCOc1ccc(Cl)cc1)[C@@H]1CCCO1 ZINC000775797816 681336050 /nfs/dbraw/zinc/33/60/50/681336050.db2.gz DVIFDWYZFAMLKM-WBAXXEDZSA-N 1 0 364.873 2.336 20 30 FEEDRO C#CCC1([NH2+]CC(=O)NCc2ccc(S(C)(=O)=O)cc2)CCCCC1 ZINC000933265830 681382215 /nfs/dbraw/zinc/38/22/15/681382215.db2.gz LCFCPRNRSKJNQC-UHFFFAOYSA-N 1 0 362.495 2.022 20 30 FEEDRO N#Cc1ccsc1NC(=O)CC[NH+]1CCC(N2CCCOC2=O)CC1 ZINC000933620522 681441779 /nfs/dbraw/zinc/44/17/79/681441779.db2.gz WKKASXPHMXAPGO-UHFFFAOYSA-N 1 0 362.455 2.255 20 30 FEEDRO CN(CCC#N)C(=O)CC[N@@H+]1CC[C@H](c2nccc(C(F)(F)F)n2)C1 ZINC000933715096 681456569 /nfs/dbraw/zinc/45/65/69/681456569.db2.gz YNBDTNBWNRXCLR-LBPRGKRZSA-N 1 0 355.364 2.047 20 30 FEEDRO C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+][C@H](C)C1(C(=O)OCC)CCOCC1 ZINC000933882644 681478897 /nfs/dbraw/zinc/47/88/97/681478897.db2.gz AUOGTYGMBUABJJ-HZPDHXFCSA-N 1 0 354.491 2.138 20 30 FEEDRO CC(C)NS(=O)(=O)c1ccc(N=NC(C)C[NH+]2CCCCCC2)nc1 ZINC000777429906 681492898 /nfs/dbraw/zinc/49/28/98/681492898.db2.gz HJFCGJSMWFSDBZ-UHFFFAOYSA-N 1 0 367.519 2.432 20 30 FEEDRO CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)c1 ZINC000934192823 681523009 /nfs/dbraw/zinc/52/30/09/681523009.db2.gz BYVBVXIRTCKSCJ-IRXDYDNUSA-N 1 0 362.495 2.086 20 30 FEEDRO N#Cc1ccc(CN2CC[C@H]3[C@H]2CCC[N@H+]3CCO)c(OC(F)F)c1 ZINC000934262480 681537225 /nfs/dbraw/zinc/53/72/25/681537225.db2.gz KFJJEIDXSVKAEN-CVEARBPZSA-N 1 0 351.397 2.191 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)Nc1c(Br)cnn1C1CC1 ZINC000934362273 681556959 /nfs/dbraw/zinc/55/69/59/681556959.db2.gz AQJWHETZKJIUCZ-UHFFFAOYSA-N 1 0 354.252 2.057 20 30 FEEDRO C#CCOc1cccc(Cl)c1C[NH2+][C@@H]1CCc2nc(COC)nn2C1 ZINC000778175935 681582601 /nfs/dbraw/zinc/58/26/01/681582601.db2.gz FSFKKMSVJGAOPL-CYBMUJFWSA-N 1 0 360.845 2.195 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CCOC2(CC[NH+](CC[C@H](C)F)CC2)C1 ZINC000949194263 681623524 /nfs/dbraw/zinc/62/35/24/681623524.db2.gz MYSPEFABPPXWTN-BBWFWOEESA-N 1 0 354.466 2.019 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC2(CC1)C[N@H+](CCCF)CCO2 ZINC000949492400 681643907 /nfs/dbraw/zinc/64/39/07/681643907.db2.gz ATNZOJUZSDLYJZ-IRXDYDNUSA-N 1 0 354.466 2.021 20 30 FEEDRO C[C@@H]1[C@H]([NH3+])CCCN1C(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C ZINC000848941865 681646351 /nfs/dbraw/zinc/64/63/51/681646351.db2.gz MEZWWXCCDXZNJL-KFWWJZLASA-N 1 0 352.479 2.302 20 30 FEEDRO C[NH+]=C(NC[C@H](CO)Cc1cc(Br)ccc1F)NC1CC1 ZINC000849110127 681654905 /nfs/dbraw/zinc/65/49/05/681654905.db2.gz SYLCVGQFPOTVEZ-SNVBAGLBSA-N 1 0 358.255 2.067 20 30 FEEDRO CCNC(NC[C@@H](CO)Cc1cc(Br)ccc1OC)=[NH+]CC ZINC000849109745 681654938 /nfs/dbraw/zinc/65/49/38/681654938.db2.gz GMSHPVJWCKVWCR-LBPRGKRZSA-N 1 0 372.307 2.184 20 30 FEEDRO CN(C)C(NCc1ccccc1)=[NH+]Cc1nn(C)cc1Br ZINC000849114923 681657060 /nfs/dbraw/zinc/65/70/60/681657060.db2.gz YUIVJCAEGUNRHD-UHFFFAOYSA-N 1 0 350.264 2.390 20 30 FEEDRO COc1ccc(Br)cc1C[C@@H](CO)C[NH+]=C(N(C)C)N(C)C ZINC000849116118 681657952 /nfs/dbraw/zinc/65/79/52/681657952.db2.gz FVQYKVQHPJMYBY-GFCCVEGCSA-N 1 0 372.307 2.088 20 30 FEEDRO CC[C@@H]1[C@@H](C(=O)N(CC)C2CN(Cc3ccc(C#N)s3)C2)CC[N@@H+]1C ZINC000950367277 681686322 /nfs/dbraw/zinc/68/63/22/681686322.db2.gz BLTYGRIYOAQWAV-ZWKOTPCHSA-N 1 0 360.527 2.383 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC000913805203 685485605 /nfs/dbraw/zinc/48/56/05/685485605.db2.gz JCZLMXLLUWAXDN-XHSDSOJGSA-N 1 0 351.491 2.399 20 30 FEEDRO C=CC1(CC(=O)N2CC[N@@H+](CC)C[C@@H]2C)CN(C(=O)OC(C)(C)C)C1 ZINC000935930744 681856765 /nfs/dbraw/zinc/85/67/65/681856765.db2.gz WUAUIDFUDSVXSB-HNNXBMFYSA-N 1 0 351.491 2.352 20 30 FEEDRO C=C(Cl)C(C)(C)C(=O)N1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC000939121190 681965837 /nfs/dbraw/zinc/96/58/37/681965837.db2.gz YXKWNTIDCFNRMS-YUELXQCFSA-N 1 0 355.910 2.213 20 30 FEEDRO N#Cc1cc(CS(=O)(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cs1 ZINC000914273420 685502016 /nfs/dbraw/zinc/50/20/16/685502016.db2.gz GNKKEQOOTHPGBR-PBHICJAKSA-N 1 0 365.524 2.398 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)c2ccc(OC)c(Br)n2)CC1 ZINC000781992043 681995480 /nfs/dbraw/zinc/99/54/80/681995480.db2.gz KHSYUPWQHPPVAF-UHFFFAOYSA-N 1 0 366.259 2.070 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(Cc3cnc(Cl)s3)C[C@H]21 ZINC000959942999 682012430 /nfs/dbraw/zinc/01/24/30/682012430.db2.gz AWQPILZCFGTMLG-MRLBHPIUSA-N 1 0 367.902 2.324 20 30 FEEDRO C[C@@H]1[C@H](C(=O)N2CCCC[C@H]2C[NH2+]Cc2ccc(C#N)s2)CC[N@@H+]1C ZINC000960010730 682020382 /nfs/dbraw/zinc/02/03/82/682020382.db2.gz OVDYQTHTOFSQMD-RVKKMQEKSA-N 1 0 360.527 2.431 20 30 FEEDRO COCC[N@H+](CCn1cnc(Br)n1)Cc1ccc(C#N)cc1 ZINC000851739750 682116501 /nfs/dbraw/zinc/11/65/01/682116501.db2.gz OKBXHABQBAXHNM-UHFFFAOYSA-N 1 0 364.247 2.061 20 30 FEEDRO C=CCS(=O)(=O)CC[NH2+][C@H](C)CC(=O)Nc1cc(Cl)ccc1OC ZINC000783531205 682150412 /nfs/dbraw/zinc/15/04/12/682150412.db2.gz IBADBPRCYKZIKV-GFCCVEGCSA-N 1 0 374.890 2.256 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)NCCCc2nc3c(s2)CCCC3)CC1 ZINC000916384551 685524080 /nfs/dbraw/zinc/52/40/80/685524080.db2.gz GOLMBJAAPRMLCB-UHFFFAOYSA-N 1 0 360.527 2.351 20 30 FEEDRO C[NH+](C)[C@@H](CNC(=O)NCCNc1ccc(C#N)cn1)c1ccsc1 ZINC000916451108 685524583 /nfs/dbraw/zinc/52/45/83/685524583.db2.gz BYIUVCHHUHSASZ-HNNXBMFYSA-N 1 0 358.471 2.029 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c(C(F)(F)F)c1 ZINC000917654584 685533493 /nfs/dbraw/zinc/53/34/93/685533493.db2.gz HNSPHENXPDYPET-CHWSQXEVSA-N 1 0 373.400 2.482 20 30 FEEDRO COC(=O)[C@@H]1C[C@H](C(F)(F)F)C[N@H+](C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000852339049 682263462 /nfs/dbraw/zinc/26/34/62/682263462.db2.gz DKEASFBHBUJBDG-QLFBSQMISA-N 1 0 356.344 2.265 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H](C)C1C[NH+](CCc2scnc2C)C1 ZINC000970572512 682307879 /nfs/dbraw/zinc/30/78/79/682307879.db2.gz VPKBFOYDAOLSBH-OWQGQXMQSA-N 1 0 363.527 2.412 20 30 FEEDRO C[C@H](CNC(=O)C#CC1CC[NH2+]CC1)Oc1ccc(Br)cc1 ZINC000852847020 682349874 /nfs/dbraw/zinc/34/98/74/682349874.db2.gz IOLSGYQZLKDCIS-CYBMUJFWSA-N 1 0 365.271 2.336 20 30 FEEDRO Cc1nc([C@H](NC(=O)C#CC2CC[NH2+]CC2)c2ccc(Cl)cc2)no1 ZINC000852888382 682353792 /nfs/dbraw/zinc/35/37/92/682353792.db2.gz JRZFPQPZPPZIIW-QGZVFWFLSA-N 1 0 358.829 2.240 20 30 FEEDRO O=C(C#CC1CC[NH2+]CC1)N1CCC[C@H]1c1nccc(C(F)(F)F)n1 ZINC000852905255 682355844 /nfs/dbraw/zinc/35/58/44/682355844.db2.gz RASKTRKUBJWMSO-ZDUSSCGKSA-N 1 0 352.360 2.162 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)CCC2CCOCC2)C1 ZINC000971558787 682359034 /nfs/dbraw/zinc/35/90/34/682359034.db2.gz IKSJKYRPLNUKIU-QRVBRYPASA-N 1 0 350.503 2.317 20 30 FEEDRO C=C(Cl)C(C)(C)C(=O)N1C[C@H]2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C[C@H]21 ZINC000972339854 682407597 /nfs/dbraw/zinc/40/75/97/682407597.db2.gz MOEQGPUOOWTNOY-BZUAXINKSA-N 1 0 367.921 2.165 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H]([N@H+](C)CCC2CCOCC2)C1 ZINC000972522189 682419161 /nfs/dbraw/zinc/41/91/61/682419161.db2.gz HTVAKEHNVCDOKK-QYZOEREBSA-N 1 0 350.503 2.317 20 30 FEEDRO C#CCN(CC(=O)NCCC[N@H+]1CCCC[C@H]1C)C(=O)OC(C)(C)C ZINC000854271116 682531728 /nfs/dbraw/zinc/53/17/28/682531728.db2.gz YUWMUWZIHRLASH-MRXNPFEDSA-N 1 0 351.491 2.237 20 30 FEEDRO C#CCN(CC(=O)OC(C)(C)C)C(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000855496126 682676890 /nfs/dbraw/zinc/67/68/90/682676890.db2.gz FFLDCOROQAZUQN-INIZCTEOSA-N 1 0 366.527 2.007 20 30 FEEDRO COC1CC[NH+](CCNC(=O)C#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000790746479 682698935 /nfs/dbraw/zinc/69/89/35/682698935.db2.gz IMKKJPOVUQFABN-UHFFFAOYSA-N 1 0 354.372 2.284 20 30 FEEDRO N#Cc1ccsc1N1CC[C@@H](OC(=O)c2ccc3c[nH+]cn3c2)C1=O ZINC000792547545 682819888 /nfs/dbraw/zinc/81/98/88/682819888.db2.gz ZKHZTZVBWJWXBN-CQSZACIVSA-N 1 0 352.375 2.230 20 30 FEEDRO CCN(CC)c1ccc(/C=[NH+]\C[C@H]2CCCCN2S(C)(=O)=O)c(O)c1 ZINC000794676332 682989252 /nfs/dbraw/zinc/98/92/52/682989252.db2.gz MTFWERSWBCWESI-MCRQTXEHSA-N 1 0 367.515 2.471 20 30 FEEDRO C=C(C)CNC(=S)N1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000795132610 683021388 /nfs/dbraw/zinc/02/13/88/683021388.db2.gz WKDFHUVABLPUGD-LJQANCHMSA-N 1 0 358.555 2.329 20 30 FEEDRO CC(C)[C@H](C#N)N1CC[NH+](CCC2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000859210639 683057576 /nfs/dbraw/zinc/05/75/76/683057576.db2.gz MCSNULINGGEFDN-KRWDZBQOSA-N 1 0 350.507 2.409 20 30 FEEDRO C[C@H](C#N)CSc1ccccc1NC(=O)NCCN1CCC([NH3+])CC1 ZINC000926027136 683065360 /nfs/dbraw/zinc/06/53/60/683065360.db2.gz UYDDDSMFYAJFMY-CQSZACIVSA-N 1 0 361.515 2.483 20 30 FEEDRO N#CCOc1cc(F)ccc1NC(=O)N1CC[C@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000926067151 683071257 /nfs/dbraw/zinc/07/12/57/683071257.db2.gz VJQBDFFZNKJPBX-WDEREUQCSA-N 1 0 360.311 2.471 20 30 FEEDRO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)c1ccc(Cl)c(C#N)c1)C2 ZINC000926168446 683087098 /nfs/dbraw/zinc/08/70/98/683087098.db2.gz YGHLAWHXBCAQEN-VXNCWWDNSA-N 1 0 361.873 2.421 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)[C@@H](C)N(CC)C(=O)OC(C)(C)C)CC1 ZINC000859524924 683123077 /nfs/dbraw/zinc/12/30/77/683123077.db2.gz MOSJUTIUIDDPJY-OAHLLOKOSA-N 1 0 351.491 2.236 20 30 FEEDRO C[NH2+]CCN(C(=O)C(=O)Nc1ccccc1S[C@@H](C)CC#N)C(C)C ZINC000927867165 683328082 /nfs/dbraw/zinc/32/80/82/683328082.db2.gz KWZBZGOYNODGEJ-AWEZNQCLSA-N 1 0 362.499 2.476 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)c2cn(C(C)(C)C)nc2Br)CC1 ZINC000928654259 683482209 /nfs/dbraw/zinc/48/22/09/683482209.db2.gz UECYBRWZGDCQCU-UHFFFAOYSA-N 1 0 367.291 2.228 20 30 FEEDRO CC[NH+]1CCN(c2ccc(C(=O)N[C@H](CC#N)C(F)(F)F)cc2)CC1 ZINC000928809977 683507430 /nfs/dbraw/zinc/50/74/30/683507430.db2.gz SNEWJXLGOITOTK-OAHLLOKOSA-N 1 0 354.376 2.403 20 30 FEEDRO C[C@H](CN1CCN(C)CC1)[NH2+]Cc1cc(C#N)ccc1Br ZINC000921705702 683550882 /nfs/dbraw/zinc/55/08/82/683550882.db2.gz VYVLVMXGRRUBBY-CYBMUJFWSA-N 1 0 351.292 2.046 20 30 FEEDRO C#C[C@@H]([NH2+]C[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C)C1CCOCC1 ZINC000862419921 683588937 /nfs/dbraw/zinc/58/89/37/683588937.db2.gz UOCWCVFHTRMGPV-HZPDHXFCSA-N 1 0 352.475 2.376 20 30 FEEDRO C#C[C@H]([NH2+][C@H](C)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1)C1CCOCC1 ZINC000862419338 683589067 /nfs/dbraw/zinc/58/90/67/683589067.db2.gz QGHVKTBPFNFOJU-PVAVHDDUSA-N 1 0 352.475 2.029 20 30 FEEDRO C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)Cc1cc(F)ccc1Cl ZINC000922023886 683639512 /nfs/dbraw/zinc/63/95/12/683639512.db2.gz DHERSGDDYHCDHU-UHFFFAOYSA-N 1 0 358.866 2.338 20 30 FEEDRO C[NH+]1CCC(OCC(=O)N[C@H](C#N)c2ccc(Br)cc2)CC1 ZINC000929896162 683653023 /nfs/dbraw/zinc/65/30/23/683653023.db2.gz YJIKZXZMEOURHC-OAHLLOKOSA-N 1 0 366.259 2.241 20 30 FEEDRO C#C[C@H]([NH2+]CC1(O)CCC(C(=O)OC(C)(C)C)CC1)C1CCOCC1 ZINC000863560023 683741904 /nfs/dbraw/zinc/74/19/04/683741904.db2.gz ACGWRUMRUZDYEY-GNZRSQJKSA-N 1 0 351.487 2.267 20 30 FEEDRO C#CC[C@@H](CCOC)[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000863589636 683746920 /nfs/dbraw/zinc/74/69/20/683746920.db2.gz SWTLEMSMVVPAPE-AWEZNQCLSA-N 1 0 374.300 2.241 20 30 FEEDRO C[C@H]([NH2+]C[C@H](O)CC#N)c1ccc(Br)cc1OCCCO ZINC000930532707 683748460 /nfs/dbraw/zinc/74/84/60/683748460.db2.gz WEFMYKYUXLKDHT-WCQYABFASA-N 1 0 357.248 2.135 20 30 FEEDRO N#Cc1ccc(Br)c(C[NH2+][C@H]2C[C@@H](O)C23CCOCC3)c1 ZINC000923019337 683820518 /nfs/dbraw/zinc/82/05/18/683820518.db2.gz MHWFNLVWQQDAPH-LSDHHAIUSA-N 1 0 351.244 2.340 20 30 FEEDRO C[NH+]1CCC(C#N)(NC(=O)[C@@H]2[C@@H]3Cc4ccc(Br)cc4[C@@H]32)CC1 ZINC000865197156 683949559 /nfs/dbraw/zinc/94/95/59/683949559.db2.gz ABNYGICBXDMVQN-OWCLPIDISA-N 1 0 374.282 2.439 20 30 FEEDRO C=C(Cl)C[C@H]1NC(=O)N(Cc2ccc(OCC[NH+](C)C)cc2)C1=O ZINC000865297648 683963097 /nfs/dbraw/zinc/96/30/97/683963097.db2.gz ARBOFOZXOFJUHN-OAHLLOKOSA-N 1 0 351.834 2.190 20 30 FEEDRO C=C(Cl)C[C@H]1NC(=O)N(C[C@H](C(CC)CC)[NH+]2CCOCC2)C1=O ZINC000865297882 683963112 /nfs/dbraw/zinc/96/31/12/683963112.db2.gz FKFXKXBQSBFTQU-HUUCEWRRSA-N 1 0 357.882 2.186 20 30 FEEDRO N#Cc1c(NC[C@H]2CC[N@@H+]2C2CCCCCC2)cccc1S(N)(=O)=O ZINC000866194364 684081909 /nfs/dbraw/zinc/08/19/09/684081909.db2.gz VBJUJSCIUMVKDU-OAHLLOKOSA-N 1 0 362.499 2.415 20 30 FEEDRO CNS(=O)(=O)c1ccc(CC[NH2+][C@@H](C)c2ccc(C#N)c(F)c2)cc1 ZINC000866580045 684122596 /nfs/dbraw/zinc/12/25/96/684122596.db2.gz XLSSQAHAKXDCFO-ZDUSSCGKSA-N 1 0 361.442 2.499 20 30 FEEDRO C=CCCSCCNC(=O)N[C@@H]1C[C@@]2(C[N@@H+](C)[C@H]2C(C)C)C[C@H]1O ZINC000923228729 684245732 /nfs/dbraw/zinc/24/57/32/684245732.db2.gz WZIRAEVHDLBSBZ-CBZIJGRNSA-N 1 0 355.548 2.075 20 30 FEEDRO C[NH+]1CCC2(CCN(S(=O)(=O)c3ccc(C#N)c(F)c3)CC2)CC1 ZINC000867619663 684333683 /nfs/dbraw/zinc/33/36/83/684333683.db2.gz WKTVSAYOHTVPJT-UHFFFAOYSA-N 1 0 351.447 2.194 20 30 FEEDRO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923718164 684339590 /nfs/dbraw/zinc/33/95/90/684339590.db2.gz CTPXRKMIAMUBKB-UONOGXRCSA-N 1 0 361.492 2.311 20 30 FEEDRO C=CC1(CC(=O)NCC[N@@H+](CC)C2CC2)CN(C(=O)OC(C)(C)C)C1 ZINC000931835891 684354901 /nfs/dbraw/zinc/35/49/01/684354901.db2.gz NXVPTPXQGMULEE-UHFFFAOYSA-N 1 0 351.491 2.400 20 30 FEEDRO C[NH+](C)Cc1ccc(S(=O)(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)cc1 ZINC000867863060 684412988 /nfs/dbraw/zinc/41/29/88/684412988.db2.gz WWMDXVRQHQUDLR-GOSISDBHSA-N 1 0 355.463 2.066 20 30 FEEDRO CN(CCc1cccc(C#N)c1)C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000925167224 684534246 /nfs/dbraw/zinc/53/42/46/684534246.db2.gz AYEKMUJXWQGAGI-ROUUACIJSA-N 1 0 358.511 2.322 20 30 FEEDRO N#Cc1cc(S(=O)(=O)N[C@@]23CCC[C@H]2[NH2+]CC3)ccc1C(F)(F)F ZINC000871820592 684863201 /nfs/dbraw/zinc/86/32/01/684863201.db2.gz RMJASQCOBYQKQM-ZIAGYGMSSA-N 1 0 359.373 2.140 20 30 FEEDRO C=CCCSCCNC(=O)C(=O)N1CCC(C)([NH+]2CCCCC2)CC1 ZINC000872997112 685045938 /nfs/dbraw/zinc/04/59/38/685045938.db2.gz CIGPDWYVNOKPLS-UHFFFAOYSA-N 1 0 367.559 2.279 20 30 FEEDRO N#CCOc1cc(F)ccc1NC(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000873316219 685109761 /nfs/dbraw/zinc/10/97/61/685109761.db2.gz IQZWJEBZBSCLEN-MWLCHTKSSA-N 1 0 360.311 2.329 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCCCCCNC(=O)CC2)CC1 ZINC000875248904 685764826 /nfs/dbraw/zinc/76/48/26/685764826.db2.gz WGSVAFGNHIMDFR-UHFFFAOYSA-N 1 0 350.507 2.119 20 30 FEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000876574322 686222365 /nfs/dbraw/zinc/22/23/65/686222365.db2.gz BVXZOXOBZPGELQ-CQSZACIVSA-N 1 0 356.253 2.094 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H](c1ccccc1Cl)N1CCOCC1 ZINC000876722393 686253479 /nfs/dbraw/zinc/25/34/79/686253479.db2.gz TXNLMANXXUXOPR-JKSUJKDBSA-N 1 0 372.296 2.299 20 30 FEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N(CC(=O)OC)Cc1cc(Cl)ccc1O ZINC000876880282 686286804 /nfs/dbraw/zinc/28/68/04/686286804.db2.gz SIEHIIHIYUSOTL-GFCCVEGCSA-N 1 0 361.225 2.017 20 30 FEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCOC[C@@H]1c1noc(-c2ccccc2)n1 ZINC000876908153 686292924 /nfs/dbraw/zinc/29/29/24/686292924.db2.gz KBVJVZNEYJRFJT-ZIAGYGMSSA-N 1 0 362.817 2.106 20 30 FEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCN(c2cc(OC)ccc2Cl)CC1 ZINC000876945312 686299138 /nfs/dbraw/zinc/29/91/38/686299138.db2.gz YEEGVEUCIPPONZ-CQSZACIVSA-N 1 0 358.269 2.467 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H]1CCN(c2ccc(Cl)cc2F)C1=O ZINC000877037909 686315737 /nfs/dbraw/zinc/31/57/37/686315737.db2.gz ZANMZYGHJZRIBM-RYUDHWBXSA-N 1 0 360.216 2.171 20 30 FEEDRO O=C(C#CC1CC[NH2+]CC1)N[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21 ZINC000877131730 686330035 /nfs/dbraw/zinc/33/00/35/686330035.db2.gz JFEYOBPGNUELFS-FHLIZLRMSA-N 1 0 359.267 2.206 20 30 FEEDRO C=CCNc1ncc(C(=O)N2CCN(c3cc[nH+]cc3OC)CC2)s1 ZINC000482446549 686407047 /nfs/dbraw/zinc/40/70/47/686407047.db2.gz KTYHIVWBQOSNHZ-UHFFFAOYSA-N 1 0 359.455 2.107 20 30 FEEDRO CC(C)(C)OC(=O)N1CCO[C@@H](C[NH2+]Cc2cc(C#N)cnc2Cl)C1 ZINC000877578221 686414856 /nfs/dbraw/zinc/41/48/56/686414856.db2.gz ZAQYLAWJPPWTQK-AWEZNQCLSA-N 1 0 366.849 2.332 20 30 FEEDRO C=CC[C@H](C(=O)OC)[N@@H+]1CCC[C@@H](C(=O)N(CC)CC(F)(F)F)C1 ZINC000878136483 686528246 /nfs/dbraw/zinc/52/82/46/686528246.db2.gz AEXSYLQJBWWZGM-CHWSQXEVSA-N 1 0 350.381 2.227 20 30 FEEDRO C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1(C)C)C(=O)N(C)CCC#N ZINC000878828499 686670131 /nfs/dbraw/zinc/67/01/31/686670131.db2.gz XRUAIBGNYNHSPK-MELADBBJSA-N 1 0 352.479 2.028 20 30 FEEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+]C2(CO)CCCCCCC2)c1 ZINC000879496856 686837797 /nfs/dbraw/zinc/83/77/97/686837797.db2.gz MGQOPHIXQFRGMI-UHFFFAOYSA-N 1 0 350.484 2.397 20 30 FEEDRO C#CCOCC[N@H+]1C[C@@H](CNC(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C1 ZINC000880025990 686977930 /nfs/dbraw/zinc/97/79/30/686977930.db2.gz CUKKOAFOQKRKAF-OLZOCXBDSA-N 1 0 350.381 2.271 20 30 FEEDRO COC(=O)C(C)(C)C[N@H+](CC(C)C)C[C@H](O)CC1(C#N)CCOCC1 ZINC000880383654 687042572 /nfs/dbraw/zinc/04/25/72/687042572.db2.gz HRMRIGBVFNPDNY-MRXNPFEDSA-N 1 0 354.491 2.215 20 30 FEEDRO N#Cc1cnc(N2CCC[C@@H]([NH+]3CCOCC3)CC2)c(Br)c1 ZINC000882547919 687389957 /nfs/dbraw/zinc/38/99/57/687389957.db2.gz BJFCEJBXRDOYCX-CQSZACIVSA-N 1 0 365.275 2.407 20 30 FEEDRO N#Cc1nc(NC(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)ccc1Br ZINC000883079152 687558859 /nfs/dbraw/zinc/55/88/59/687558859.db2.gz LNYZFAZSTMQVFD-WCQYABFASA-N 1 0 364.247 2.464 20 30 FEEDRO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)Nc1ccc(Br)c(C#N)n1 ZINC000883099702 687564941 /nfs/dbraw/zinc/56/49/41/687564941.db2.gz DGVSFELTJDGOBZ-VHSXEESVSA-N 1 0 352.236 2.272 20 30 FEEDRO C#CC[C@H](CO)[NH2+]Cc1cc(Br)cc(Br)c1N ZINC000883125261 687573048 /nfs/dbraw/zinc/57/30/48/687573048.db2.gz DGZPVFYWYIIMFY-SNVBAGLBSA-N 1 0 362.065 2.268 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N(C)[C@H]1CCOC[C@H]1OC)C(C)C ZINC000883130722 687573377 /nfs/dbraw/zinc/57/33/77/687573377.db2.gz PWXFAWIGZBMYLB-RCCFBDPRSA-N 1 0 353.507 2.130 20 30 FEEDRO CN(C)C(=O)c1cc(NC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)ccc1Cl ZINC000884077492 687784829 /nfs/dbraw/zinc/78/48/29/687784829.db2.gz NJJXRYVJEWGKFP-BJCXPLBRSA-N 1 0 360.845 2.120 20 30 FEEDRO N#C[C@@H]1C[NH2+]CC12CC(C(=O)N[C@@H](c1nccs1)c1ccccc1)C2 ZINC000884110263 687791741 /nfs/dbraw/zinc/79/17/41/687791741.db2.gz DSBFRSXTWRLIDN-BWRBCVJASA-N 1 0 352.463 2.488 20 30 FEEDRO O=S1(=O)CCC(NN=C2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)CC1 ZINC000884446342 687872517 /nfs/dbraw/zinc/87/25/17/687872517.db2.gz ONNCMFUHDAAJNX-LPHOPBHVSA-N 1 0 361.511 2.194 20 30 FEEDRO COC[C@]1(C(=O)OC(C)(C)C)CC[N@H+](C[C@H](O)CC2(C#N)CCC2)C1 ZINC000886305802 688228784 /nfs/dbraw/zinc/22/87/84/688228784.db2.gz QUUZHFOQVUPCIN-BEFAXECRSA-N 1 0 352.475 2.111 20 30 FEEDRO C#CCN(C(=O)c1nc(Br)ccc1C)C1CC[NH+](C)CC1 ZINC000886577825 688278622 /nfs/dbraw/zinc/27/86/22/688278622.db2.gz YOYOEWRFYQMEBO-UHFFFAOYSA-N 1 0 350.260 2.322 20 30 FEEDRO N#Cc1ccc(-n2cc(CN3CCC[C@@H]([NH3+])C3)nn2)cc1C(F)(F)F ZINC000887419049 688423581 /nfs/dbraw/zinc/42/35/81/688423581.db2.gz AXXSMWHCIVHCPV-GFCCVEGCSA-N 1 0 350.348 2.081 20 30 FEEDRO Cc1c(C(=O)NC[C@H](C)N2CCc3sccc3C2)cnn1CCC#N ZINC000888118532 688548145 /nfs/dbraw/zinc/54/81/45/688548145.db2.gz XVYPXGRKXLSHCM-ZDUSSCGKSA-N 1 0 357.483 2.343 20 30 FEEDRO CC(C)[C@H](CNC(=O)Nc1nc(Cl)c(C#N)s1)[NH+]1CCN(C)CC1 ZINC000888406915 688606165 /nfs/dbraw/zinc/60/61/65/688606165.db2.gz MKOHTWUKFQZSED-NSHDSACASA-N 1 0 370.910 2.062 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)[C@H](CC2CC2)NC(=O)OC(C)(C)C)CC1 ZINC000896209071 689838385 /nfs/dbraw/zinc/83/83/85/689838385.db2.gz SXJIGSPEPJLXCA-INIZCTEOSA-N 1 0 351.491 2.446 20 30 FEEDRO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)NCc1nc(C#N)cs1 ZINC000897298414 690002270 /nfs/dbraw/zinc/00/22/70/690002270.db2.gz QWBSQHLJSZOYNP-UHFFFAOYSA-N 1 0 361.446 2.427 20 30 FEEDRO C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 ZINC000900788443 690561946 /nfs/dbraw/zinc/56/19/46/690561946.db2.gz BACKOSAZNFGAIH-BEFAXECRSA-N 1 0 355.463 2.358 20 30 FEEDRO C[N@@H+]1CCC[C@@](O)(CC(=O)NCC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000900941576 690591472 /nfs/dbraw/zinc/59/14/72/690591472.db2.gz JMLISZOXLIEYFP-QGZVFWFLSA-N 1 0 354.372 2.020 20 30 FEEDRO C[NH+](C)CCCNC(=S)NN=C1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000901189579 690623146 /nfs/dbraw/zinc/62/31/46/690623146.db2.gz TXAJHZLABHRHLK-ZDUSSCGKSA-N 1 0 371.551 2.083 20 30 FEEDRO N#C[C@]12C[N@@H+](Cn3ccc(=S)c4ccccc43)C[C@H]1CS(=O)(=O)C2 ZINC000902526481 690774415 /nfs/dbraw/zinc/77/44/15/690774415.db2.gz HNQSWDSLDIXYQW-SUMWQHHRSA-N 1 0 359.476 2.198 20 30 FEEDRO C=CCC[C@@H]([NH2+]CCS(=O)(=O)C1CCOCC1)[C@]1(C)CCCCO1 ZINC000903007554 690829883 /nfs/dbraw/zinc/82/98/83/690829883.db2.gz BYZIYMWRFOOKGJ-MSOLQXFVSA-N 1 0 359.532 2.464 20 30 FEEDRO C[C@@H]([NH2+]CCNC(=O)c1ccc(Br)cn1)c1cc(C#N)ccn1 ZINC000903047933 690838608 /nfs/dbraw/zinc/83/86/08/690838608.db2.gz UFHLPVWHADQZRL-LLVKDONJSA-N 1 0 374.242 2.191 20 30 FEEDRO Cc1cc(S(=O)(=O)N2C[C@@H](C[NH3+])Cc3cc(F)ccc32)ccc1C#N ZINC000903588331 690932772 /nfs/dbraw/zinc/93/27/72/690932772.db2.gz JMBCDHSPYNXICI-CYBMUJFWSA-N 1 0 359.426 2.332 20 30 FEEDRO O=C(NCC[NH2+]C[C@H](O)c1ccc(Cl)c(Cl)c1)C1N=CC=CC1=O ZINC000905103182 691068553 /nfs/dbraw/zinc/06/85/53/691068553.db2.gz JTKMUJCRTQEJMI-BSZDNMLHSA-N 1 0 370.236 2.143 20 30 FEEDRO N#Cc1ccc(OC[C@H](O)C[NH2+]CC[C@@H]2CC[C@H](C(F)(F)F)O2)cc1 ZINC000905556766 691140194 /nfs/dbraw/zinc/14/01/94/691140194.db2.gz OWYJMODZLUFZLQ-VNQPRFMTSA-N 1 0 358.360 2.388 20 30 FEEDRO C[N@H+](Cc1cn([C@H]2CCN(c3sccc3C#N)C2=O)nn1)C(C)(C)C ZINC000905786752 691174337 /nfs/dbraw/zinc/17/43/37/691174337.db2.gz GIWSPXYEXDQMSU-AWEZNQCLSA-N 1 0 358.471 2.420 20 30 FEEDRO CN1CC[N@H+](C)CC(C(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)C1 ZINC000906626198 691294048 /nfs/dbraw/zinc/29/40/48/691294048.db2.gz WMTKYYDOZKTFJF-AWEZNQCLSA-N 1 0 355.269 2.168 20 30 FEEDRO C[N@@H+]1C[C@@H]2CN(S(=O)(=O)c3ccc(C#N)cc3C(F)(F)F)C[C@]2(C)C1 ZINC000907548999 691517901 /nfs/dbraw/zinc/51/79/01/691517901.db2.gz RJQOCRNRZOMCJB-DOMZBBRYSA-N 1 0 373.400 2.149 20 30 FEEDRO N#Cc1cccc2ncc(OS(=O)(=O)C[C@@]34CC[N@H+](C3)CCC4)cc12 ZINC000907603551 691525191 /nfs/dbraw/zinc/52/51/91/691525191.db2.gz LTLJYYBEFFKHNW-SFHVURJKSA-N 1 0 357.435 2.301 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)N[C@@H](c1ccc(C)cc1)[C@@H](C)S(C)(=O)=O ZINC000907955832 691589690 /nfs/dbraw/zinc/58/96/90/691589690.db2.gz ZWGBZZAKEZEHCT-NVXWUHKLSA-N 1 0 352.500 2.093 20 30 FEEDRO Cc1cc(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)ncc1C#N ZINC001164818914 720312634 /nfs/dbraw/zinc/31/26/34/720312634.db2.gz BREGFBXSKNVNOL-RBUKOAKNSA-N 1 0 367.497 2.173 20 30 FEEDRO Cc1cc(C#N)cc(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164829790 720347977 /nfs/dbraw/zinc/34/79/77/720347977.db2.gz UKBQFKJHSMJCSW-RTBURBONSA-N 1 0 367.497 2.173 20 30 FEEDRO N#Cc1cnc2cc[nH]c(N3CCc4ncc(C[NH+]5CCCC5)n4CC3)c1-2 ZINC001164736627 720576179 /nfs/dbraw/zinc/57/61/79/720576179.db2.gz PMCSEAFABRUQJY-UHFFFAOYSA-N 1 0 361.453 2.290 20 30 FEEDRO Cc1nc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)c(Cl)cc1C#N ZINC001164743547 720803641 /nfs/dbraw/zinc/80/36/41/720803641.db2.gz GUAWFLZFJPTIGE-CABCVRRESA-N 1 0 370.844 2.047 20 30 FEEDRO COCC[N@@H+]1CCO[C@@H]2CN(c3ncc4c(c3C#N)CCCC4)CC[C@H]2C1 ZINC001164863003 720891023 /nfs/dbraw/zinc/89/10/23/720891023.db2.gz SGJGXTUBYBAKGL-FXAWDEMLSA-N 1 0 370.497 2.006 20 30 FEEDRO COCC[N@@H+]1CCO[C@@H]2CN(c3ncc4c(c3C#N)CCCC4)CC[C@@H]2C1 ZINC001164863009 720891033 /nfs/dbraw/zinc/89/10/33/720891033.db2.gz SGJGXTUBYBAKGL-YLJYHZDGSA-N 1 0 370.497 2.006 20 30 FEEDRO N#Cc1cnc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)c(Cl)c1 ZINC001164870021 721052145 /nfs/dbraw/zinc/05/21/45/721052145.db2.gz VHTDWUQXGDLERV-IAGOWNOFSA-N 1 0 369.856 2.481 20 30 FEEDRO N#Cc1cnc2cc[nH]c(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)c1-2 ZINC001164880421 721127312 /nfs/dbraw/zinc/12/73/12/721127312.db2.gz WLENDNSNJJULAX-ZWKOTPCHSA-N 1 0 374.448 2.309 20 30 FEEDRO Cc1ccc(CC#N)c(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164877637 721157076 /nfs/dbraw/zinc/15/70/76/721157076.db2.gz PKRQYJKBGIVVNL-PMACEKPBSA-N 1 0 363.465 2.331 20 30 FEEDRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ccc5[nH]c(C#N)cc5n4)C[C@H]3C2)cn1 ZINC001164771484 721187129 /nfs/dbraw/zinc/18/71/29/721187129.db2.gz QLHHQIYLPBVFJL-HZPDHXFCSA-N 1 0 361.453 2.126 20 30 FEEDRO Cc1ccc(CC#N)c(N2C[C@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)n1 ZINC001164763213 721209097 /nfs/dbraw/zinc/20/90/97/721209097.db2.gz DSLSEUPYYNSKMR-RTBURBONSA-N 1 0 350.470 2.148 20 30 FEEDRO N#Cc1cnc2cc[nH]c(N3C[C@@H]4C[NH+](Cc5nccs5)C[C@H]4C3)c1-2 ZINC001164789008 721422325 /nfs/dbraw/zinc/42/23/25/721422325.db2.gz UFCJGNZXABROAG-KBPBESRZSA-N 1 0 350.451 2.459 20 30 FEEDRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2c1nc(C#N)c(Cl)cc1Cl ZINC001164929379 721886711 /nfs/dbraw/zinc/88/67/11/721886711.db2.gz BFUMQEIVKXFVNZ-LSDHHAIUSA-N 1 0 354.285 2.475 20 30 FEEDRO Cc1ccnc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c1C#N ZINC001164980686 722103332 /nfs/dbraw/zinc/10/33/32/722103332.db2.gz JYCGMPJYFUEBHE-ICSRJNTNSA-N 1 0 363.465 2.384 20 30 FEEDRO C[C@H]1CCN(C(=O)CNc2ccc(C#N)cn2)CC[N@@H+]1Cc1ccccc1 ZINC000502072292 813809989 /nfs/dbraw/zinc/80/99/89/813809989.db2.gz UATLEGPZCSNDEN-KRWDZBQOSA-N 1 0 363.465 2.488 20 30 FEEDRO CC(C)[C@@H]1C[NH2+]CCN1C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 ZINC000528686057 829519255 /nfs/dbraw/zinc/51/92/55/829519255.db2.gz JUHANILITFXDNB-INIZCTEOSA-N 1 0 356.405 2.345 20 30 FEEDRO COc1ccc(CN2CC[C@@H]2CNC(=O)Nc2ccn(CCC#N)n2)cc1 ZINC000528988776 829657751 /nfs/dbraw/zinc/65/77/51/829657751.db2.gz ZQDXOHJWXXTMTD-MRXNPFEDSA-N 1 0 368.441 2.201 20 30 FEEDRO C[C@H](NC(=O)CNc1ccc(C#N)cn1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000490834399 887340580 /nfs/dbraw/zinc/34/05/80/887340580.db2.gz MLSRXPMRKGVGKW-QFBILLFUSA-N 1 0 363.465 2.392 20 30 FEEDRO C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)CNc1ccc(C#N)cn1)C1CC1 ZINC000482259265 887351616 /nfs/dbraw/zinc/35/16/16/887351616.db2.gz GKXSCQUIAAIENN-IBGZPJMESA-N 1 0 363.465 2.392 20 30 FEEDRO CNC(=O)c1ccc(C[N@H+](C)CCC(=O)Nc2sccc2C#N)cc1 ZINC000007996064 539474038 /nfs/dbraw/zinc/47/40/38/539474038.db2.gz BJXUNOZUGQDGPY-UHFFFAOYSA-N 1 0 356.451 2.440 20 30 FEEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000039564035 540002026 /nfs/dbraw/zinc/00/20/26/540002026.db2.gz NRTSMLIAQOBTCO-UHFFFAOYSA-N 1 0 372.513 2.375 20 30 FEEDRO C=CCOc1ccc(C(=O)NCCCC[NH+]2CCN(C)CC2)cc1OC ZINC000041350464 540017889 /nfs/dbraw/zinc/01/78/89/540017889.db2.gz ZGAQAMOXSZVMMQ-UHFFFAOYSA-N 1 0 361.486 2.017 20 30 FEEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000045812541 540229556 /nfs/dbraw/zinc/22/95/56/540229556.db2.gz UIYDVZUVROHJHS-QWHCGFSZSA-N 1 0 358.442 2.086 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)CCn1c(C)csc1=O)C(C)C ZINC000046049151 540239172 /nfs/dbraw/zinc/23/91/72/540239172.db2.gz APTPMJFAOYUYRG-MRXNPFEDSA-N 1 0 351.516 2.423 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)CCn1c(C)csc1=O)C(C)C ZINC000046049150 540239424 /nfs/dbraw/zinc/23/94/24/540239424.db2.gz APTPMJFAOYUYRG-INIZCTEOSA-N 1 0 351.516 2.423 20 30 FEEDRO COC(=O)c1ccc(OC[C@@H](O)C[N@H+](C)Cc2ccc(C#N)cc2)cc1 ZINC000046528710 540260765 /nfs/dbraw/zinc/26/07/65/540260765.db2.gz OHEGOMGOEQYTTL-SFHVURJKSA-N 1 0 354.406 2.217 20 30 FEEDRO C[C@H](NC(=O)N1CCC(C[NH+]2CCOCC2)CC1)c1ccc(C#N)cc1 ZINC000047052352 540287294 /nfs/dbraw/zinc/28/72/94/540287294.db2.gz WTVNDEHPJSFKDG-INIZCTEOSA-N 1 0 356.470 2.373 20 30 FEEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000047415457 540308718 /nfs/dbraw/zinc/30/87/18/540308718.db2.gz DKPYFOIWBGCIBB-KBPBESRZSA-N 1 0 358.486 2.033 20 30 FEEDRO COc1cc(C#N)ccc1OCC(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000047447198 540311703 /nfs/dbraw/zinc/31/17/03/540311703.db2.gz CFJLZPRGGFMMQG-HNNXBMFYSA-N 1 0 359.451 2.426 20 30 FEEDRO COc1ccc(C#N)cc1NC(=O)C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000050147549 540401363 /nfs/dbraw/zinc/40/13/63/540401363.db2.gz DGYNNFYOCKDDGM-UHFFFAOYSA-N 1 0 372.469 2.276 20 30 FEEDRO C[C@@H]1CN(C(=O)C2CC[NH+](CCOc3cccc(C#N)c3)CC2)C[C@H](C)O1 ZINC000051765459 540443518 /nfs/dbraw/zinc/44/35/18/540443518.db2.gz NEKBQSISXMCBKN-CALCHBBNSA-N 1 0 371.481 2.285 20 30 FEEDRO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](C)Cc1ccc(C#N)cc1)cc2=O ZINC000052580716 540474616 /nfs/dbraw/zinc/47/46/16/540474616.db2.gz ATFXNMRUIZCQQD-UHFFFAOYSA-N 1 0 365.393 2.115 20 30 FEEDRO C=CCNC(=O)C[NH2+]C1(c2ccc(Br)cc2)CCOCC1 ZINC000052833866 540492508 /nfs/dbraw/zinc/49/25/08/540492508.db2.gz GVFUJRKKBDPFGD-UHFFFAOYSA-N 1 0 353.260 2.347 20 30 FEEDRO C=CCOc1ccc(C(=O)N2CCN(CC[NH+]3CCCC3)CC2)cc1OC ZINC000054464078 540591254 /nfs/dbraw/zinc/59/12/54/540591254.db2.gz QAGVBSGRKJBTCI-UHFFFAOYSA-N 1 0 373.497 2.114 20 30 FEEDRO CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000057699784 540809022 /nfs/dbraw/zinc/80/90/22/540809022.db2.gz FXBXCNNCOMWJQC-UHFFFAOYSA-N 1 0 372.469 2.228 20 30 FEEDRO C[NH+](C)CCn1c2cc(NC(=O)c3ccc(C#N)cc3)ccc2oc1=O ZINC000058737536 540854588 /nfs/dbraw/zinc/85/45/88/540854588.db2.gz HSIUEGFREXKRKD-UHFFFAOYSA-N 1 0 350.378 2.280 20 30 FEEDRO Cc1cc(=NC(=O)N(CC[NH+](C)C)Cc2ccccn2)[nH]n1CCC#N ZINC000540816758 541099700 /nfs/dbraw/zinc/09/97/00/541099700.db2.gz ZSEBNISEYBBMIZ-UHFFFAOYSA-N 1 0 355.446 2.096 20 30 FEEDRO N#Cc1ccc(NC(=O)CC[N@@H+](CCC(N)=O)Cc2ccccc2)cc1 ZINC000063483664 541170393 /nfs/dbraw/zinc/17/03/93/541170393.db2.gz UHLQQFHOLRBPDN-UHFFFAOYSA-N 1 0 350.422 2.264 20 30 FEEDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000063710799 541181039 /nfs/dbraw/zinc/18/10/39/541181039.db2.gz YUIMPEOANUNROX-CYBMUJFWSA-N 1 0 362.861 2.387 20 30 FEEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)COc1ccc(C#N)cc1 ZINC000065930022 541272547 /nfs/dbraw/zinc/27/25/47/541272547.db2.gz HPEIIRPUBVVULL-UHFFFAOYSA-N 1 0 362.433 2.399 20 30 FEEDRO Cc1csc(=O)n1CCC(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000065931096 541273245 /nfs/dbraw/zinc/27/32/45/541273245.db2.gz VBJRFZPUZPLSBY-UHFFFAOYSA-N 1 0 372.494 2.070 20 30 FEEDRO N#Cc1cnn(-c2ccc(C(=O)N3CCC[C@H]3C[NH+]3CCCC3)cc2)c1N ZINC000066241382 541294605 /nfs/dbraw/zinc/29/46/05/541294605.db2.gz HCAWWWUTZFXQFY-SFHVURJKSA-N 1 0 364.453 2.027 20 30 FEEDRO CC[N@H+](CC(=O)NCC(C)(C)N1CCOCC1)[C@H](C)c1ccc(C#N)cc1 ZINC000066962076 541401111 /nfs/dbraw/zinc/40/11/11/541401111.db2.gz OUFLYJMYHJMVET-QGZVFWFLSA-N 1 0 372.513 2.168 20 30 FEEDRO CS(=O)(=O)c1ccc(C[NH2+]C2CCN(c3ccc(C#N)cn3)CC2)cc1 ZINC000067010953 541405908 /nfs/dbraw/zinc/40/59/08/541405908.db2.gz IXFNRKIAVRTWNC-UHFFFAOYSA-N 1 0 370.478 2.115 20 30 FEEDRO CN(CCC#N)c1ccc(C[NH2+]C[C@]2(N3CCOCC3)CCSC2)cc1 ZINC000067218919 541433588 /nfs/dbraw/zinc/43/35/88/541433588.db2.gz CBBWVSTVQDWESG-HXUWFJFHSA-N 1 0 374.554 2.334 20 30 FEEDRO CCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000067397564 541456474 /nfs/dbraw/zinc/45/64/74/541456474.db2.gz JNWYZWGJWRBQAQ-LSDHHAIUSA-N 1 0 372.469 2.132 20 30 FEEDRO CCOc1ccc(C#N)cc1NC(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000067549781 541479478 /nfs/dbraw/zinc/47/94/78/541479478.db2.gz JXVADEPNDBVFQL-MRXNPFEDSA-N 1 0 360.458 2.171 20 30 FEEDRO Cc1ccc([C@@H](CNC(=O)C(=O)Nc2ccc(C#N)cc2)[NH+](C)C)cc1 ZINC000067763822 541510214 /nfs/dbraw/zinc/51/02/14/541510214.db2.gz ZRWAUNCCQJPFRT-GOSISDBHSA-N 1 0 350.422 2.224 20 30 FEEDRO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCC[C@H](C(=O)NC2CCCCC2)C1 ZINC000068343923 541579833 /nfs/dbraw/zinc/57/98/33/541579833.db2.gz PBSIZYIELFRIOV-SJORKVTESA-N 1 0 362.518 2.155 20 30 FEEDRO C[C@@H](OC[C@H]1CCCO1)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000068791411 541629132 /nfs/dbraw/zinc/62/91/32/541629132.db2.gz FKWWGEXKGVKJKT-VQIMIIECSA-N 1 0 359.470 2.033 20 30 FEEDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](Oc1ccccc1C#N)C(C)C ZINC000069500696 541691672 /nfs/dbraw/zinc/69/16/72/541691672.db2.gz FAKDNDXNOUSMDV-HKUYNNGSSA-N 1 0 359.470 2.189 20 30 FEEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NCCC[NH+]1CCCCCC1 ZINC000070883255 541748672 /nfs/dbraw/zinc/74/86/72/541748672.db2.gz DLHZHIHOZMCCKA-UHFFFAOYSA-N 1 0 358.486 2.178 20 30 FEEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000071028126 541759371 /nfs/dbraw/zinc/75/93/71/541759371.db2.gz GPRIPUGILOAHPZ-UHFFFAOYSA-N 1 0 362.393 2.015 20 30 FEEDRO CC(C)[C@H](Oc1ccccc1C#N)C(=O)NCC1([NH+](C)C)CCOCC1 ZINC000073131672 541922323 /nfs/dbraw/zinc/92/23/23/541922323.db2.gz DPGIGPOUALKLNU-SFHVURJKSA-N 1 0 359.470 2.189 20 30 FEEDRO N#Cc1cccc(CS(=O)(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000073793963 542001117 /nfs/dbraw/zinc/00/11/17/542001117.db2.gz MXIXKUHDCZTGCZ-IBGZPJMESA-N 1 0 355.463 2.252 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N(C)[C@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000074130172 542040532 /nfs/dbraw/zinc/04/05/32/542040532.db2.gz UBLPBDBNFFZEEI-IBGZPJMESA-N 1 0 370.497 2.474 20 30 FEEDRO CCN1CC[NH+](C[C@H](C)CNC(=O)N[C@@H](C)c2cccc(C#N)c2)CC1 ZINC000074659203 542110076 /nfs/dbraw/zinc/11/00/76/542110076.db2.gz NPMPQPUKMBJPRA-SJORKVTESA-N 1 0 357.502 2.192 20 30 FEEDRO CC[C@H](C)[NH2+][C@@H](CNC(=O)C(=O)Nc1sccc1C#N)c1ccco1 ZINC000551258066 674134430 /nfs/dbraw/zinc/13/44/30/674134430.db2.gz BSMWNEDZECRPDQ-AAEUAGOBSA-N 1 0 360.439 2.397 20 30 FEEDRO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCCC[C@@H]1CN1CCOCC1 ZINC000075969176 542221696 /nfs/dbraw/zinc/22/16/96/542221696.db2.gz NPQCOVYGDQVUSR-RTWAWAEBSA-N 1 0 374.525 2.342 20 30 FEEDRO C#CCCOc1ccc(C[NH2+]C2CCN(C(=O)c3cnccn3)CC2)cc1 ZINC000076901722 542328434 /nfs/dbraw/zinc/32/84/34/542328434.db2.gz POWWKRIHIAOXQI-UHFFFAOYSA-N 1 0 364.449 2.273 20 30 FEEDRO Cc1ccc(C)n1-c1nc(CC(=O)NC2(C#N)CC[NH+](C)CC2)cs1 ZINC000077039942 542343448 /nfs/dbraw/zinc/34/34/48/542343448.db2.gz WLKPDOGAYPKZAU-UHFFFAOYSA-N 1 0 357.483 2.197 20 30 FEEDRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000077538954 542394388 /nfs/dbraw/zinc/39/43/88/542394388.db2.gz ZAYUYZWOYHYOJC-CQSZACIVSA-N 1 0 360.433 2.407 20 30 FEEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)NC1CCN(CC#N)CC1 ZINC000077567491 542398755 /nfs/dbraw/zinc/39/87/55/542398755.db2.gz YTBYWJLRLNUVJR-GOSISDBHSA-N 1 0 369.513 2.280 20 30 FEEDRO CC(C)[C@@H](C#N)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000078451648 542462098 /nfs/dbraw/zinc/46/20/98/542462098.db2.gz WIIIVDCEZCLQRL-VQTJNVASSA-N 1 0 354.498 2.343 20 30 FEEDRO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+]CCO[C@H](C)C#N)cc1 ZINC000801930936 674155723 /nfs/dbraw/zinc/15/57/23/674155723.db2.gz ZWMOZZAINWWBGR-HUUCEWRRSA-N 1 0 353.488 2.296 20 30 FEEDRO COc1nc(N2CC[NH+](CCCCC#N)CC2)ncc1Br ZINC000079498285 542521842 /nfs/dbraw/zinc/52/18/42/542521842.db2.gz HAIFYLGZLQLCMV-UHFFFAOYSA-N 1 0 354.252 2.064 20 30 FEEDRO COC1CC[NH+](CCNC(=O)[C@H](Oc2ccccc2C#N)C(C)C)CC1 ZINC000079683240 542535891 /nfs/dbraw/zinc/53/58/91/542535891.db2.gz WYCUDMRYVRZXEX-LJQANCHMSA-N 1 0 359.470 2.189 20 30 FEEDRO COC(=O)[C@@H](C)[C@@H]([NH2+]CC(=O)NC1(C#N)CCCCC1)c1ccccc1 ZINC000079922005 542550552 /nfs/dbraw/zinc/55/05/52/542550552.db2.gz ONVYQIATJVULIR-MAUKXSAKSA-N 1 0 357.454 2.469 20 30 FEEDRO C[N@H+](CCC(=O)Nc1ccc(C#N)cc1)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000081097804 542633013 /nfs/dbraw/zinc/63/30/13/542633013.db2.gz QEVRFDCZJIIVNJ-SJORKVTESA-N 1 0 363.483 2.174 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N2CC[C@@H](c3cc(OC)cc(OC)c3)C2)CC1 ZINC000081641109 542670954 /nfs/dbraw/zinc/67/09/54/542670954.db2.gz XLKQSLMOIAURTN-QGZVFWFLSA-N 1 0 356.466 2.365 20 30 FEEDRO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000085789048 542732113 /nfs/dbraw/zinc/73/21/13/542732113.db2.gz ICOXZBIUOYPQOI-INIZCTEOSA-N 1 0 367.471 2.254 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCN(c3ccc(F)cn3)CC2)CC1 ZINC000089266531 542759226 /nfs/dbraw/zinc/75/92/26/542759226.db2.gz HMDOZYSLZBCVAA-UHFFFAOYSA-N 1 0 361.465 2.093 20 30 FEEDRO C[NH+](C)CCOc1ccccc1CNC(=O)Cc1cccc(OCC#N)c1 ZINC000089800914 542771145 /nfs/dbraw/zinc/77/11/45/542771145.db2.gz CFVRXZHMPUWMAZ-UHFFFAOYSA-N 1 0 367.449 2.388 20 30 FEEDRO C[C@@H]1C[N@@H+](CCCCNC(=O)Cc2cccc(OCC#N)c2)C[C@H](C)O1 ZINC000090060934 542781384 /nfs/dbraw/zinc/78/13/84/542781384.db2.gz VOJIFANVEYCDNU-CALCHBBNSA-N 1 0 359.470 2.137 20 30 FEEDRO C=CCOc1ccccc1C[NH+]1CCC(C(=O)NCC(=O)OCC)CC1 ZINC000092064568 542842312 /nfs/dbraw/zinc/84/23/12/542842312.db2.gz QVAPPNODJQQJGQ-UHFFFAOYSA-N 1 0 360.454 2.143 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)CC1 ZINC000092036012 542840212 /nfs/dbraw/zinc/84/02/12/542840212.db2.gz FVZBUXOPIXITJD-UHFFFAOYSA-N 1 0 366.465 2.105 20 30 FEEDRO C[C@@H](C#N)Oc1ccc(C[NH+]2CCC(NC(=O)c3cnn(C)c3)CC2)cc1 ZINC000092074212 542843733 /nfs/dbraw/zinc/84/37/33/542843733.db2.gz SDKVWSBEROCBIW-HNNXBMFYSA-N 1 0 367.453 2.105 20 30 FEEDRO COC(=O)C(C)(C)[C@H]1CCC[N@H+](C[C@H](O)COc2ccc(CC#N)cc2)C1 ZINC000093298062 542924637 /nfs/dbraw/zinc/92/46/37/542924637.db2.gz QAGGLGCUMHEFPK-ROUUACIJSA-N 1 0 374.481 2.404 20 30 FEEDRO CN(CCC#N)C(=O)CC[N@@H+]1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000093329169 542927276 /nfs/dbraw/zinc/92/72/76/542927276.db2.gz QMQQIFRYJYLJIY-AWEZNQCLSA-N 1 0 370.375 2.316 20 30 FEEDRO CC[NH+](CC)[C@@H](CNC(=O)C(=O)Nc1ccc(F)c(C#N)c1)c1ccco1 ZINC000102964370 543087112 /nfs/dbraw/zinc/08/71/12/543087112.db2.gz LBICCVOQDQJFDF-INIZCTEOSA-N 1 0 372.400 2.428 20 30 FEEDRO C[C@@H](CNC(=O)N1CCCN(c2ccccc2C#N)CC1)[N@H+](C)C1CC1 ZINC000105267914 543167483 /nfs/dbraw/zinc/16/74/83/543167483.db2.gz IOVUGNHJYOQJAX-INIZCTEOSA-N 1 0 355.486 2.263 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cc(OC)ccc2Cl)CC1 ZINC000106348889 543224542 /nfs/dbraw/zinc/22/45/42/543224542.db2.gz YZWQCBQROHZBMJ-UHFFFAOYSA-N 1 0 365.861 2.444 20 30 FEEDRO CC(C)(C)OC(=O)N[C@H]1CC[N@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000106867805 543251295 /nfs/dbraw/zinc/25/12/95/543251295.db2.gz RFZXCHVRLCRESI-HNNXBMFYSA-N 1 0 358.442 2.486 20 30 FEEDRO N#CCCSc1ccccc1NC(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000108619115 543298603 /nfs/dbraw/zinc/29/86/03/543298603.db2.gz HZGDFUCPTUIODH-HNNXBMFYSA-N 1 0 372.494 2.231 20 30 FEEDRO CN(c1ccc(NC(=O)C2(C#N)CCOCC2)cc1)C1CC[NH+](C)CC1 ZINC000109140760 543315496 /nfs/dbraw/zinc/31/54/96/543315496.db2.gz MLHBINQWCZBQKD-UHFFFAOYSA-N 1 0 356.470 2.476 20 30 FEEDRO N#CC1(C(=O)N[C@H]2CCCN(Cc3c(F)cccc3F)C2)CCOCC1 ZINC000110981298 543377172 /nfs/dbraw/zinc/37/71/72/543377172.db2.gz WAKNEBOPDMSBTM-AWEZNQCLSA-N 1 0 363.408 2.366 20 30 FEEDRO CC[NH+]1CCN([C@H](C)CNC(=O)CCCCOc2cccc(C#N)c2)CC1 ZINC000111661035 543410517 /nfs/dbraw/zinc/41/05/17/543410517.db2.gz NNZAHGBBUORVQR-GOSISDBHSA-N 1 0 372.513 2.250 20 30 FEEDRO CCS(=O)(=O)C[C@H](C)[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000113349849 543484574 /nfs/dbraw/zinc/48/45/74/543484574.db2.gz BWUDWNNSIJAMLQ-HNNXBMFYSA-N 1 0 360.483 2.377 20 30 FEEDRO Cc1ccc(NC(=O)CNC(=O)c2ccc(C#N)cc2)c(C[NH+](C)C)c1 ZINC000113989154 543500609 /nfs/dbraw/zinc/50/06/09/543500609.db2.gz FZRFOMNCJIHBLF-UHFFFAOYSA-N 1 0 350.422 2.297 20 30 FEEDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)CNc2ccc(C#N)cc2)[C@H](C)C1 ZINC000115486671 543570274 /nfs/dbraw/zinc/57/02/74/543570274.db2.gz FRBHIQVKHSFQEI-VQIMIIECSA-N 1 0 358.486 2.223 20 30 FEEDRO N#Cc1ccc([C@H]([NH2+][C@@H]2CCN(c3ccc(F)cc3F)C2)C(N)=O)cc1 ZINC000115599723 543577745 /nfs/dbraw/zinc/57/77/45/543577745.db2.gz IOZJVFRDYUVCAQ-QAPCUYQASA-N 1 0 356.376 2.231 20 30 FEEDRO C[N@H+](CCNC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1)C1CCCC1 ZINC000118132558 543647475 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FEEDRO C#CCNC(=O)c1ccccc1NC(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000118981279 543662585 /nfs/dbraw/zinc/66/25/85/543662585.db2.gz PADOJXVPERPRJO-UHFFFAOYSA-N 1 0 369.465 2.023 20 30 FEEDRO C[C@@H]1C[C@H](N(C)C(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)CC[N@@H+]1C ZINC000120458384 543680305 /nfs/dbraw/zinc/68/03/05/543680305.db2.gz YGASEBXMVBWUTR-RHSMWYFYSA-N 1 0 356.470 2.367 20 30 FEEDRO C=CCN(CC(=O)Nc1cc(-n2cnnn2)ccc1F)Cc1ccccc1 ZINC000122567044 543710405 /nfs/dbraw/zinc/71/04/05/543710405.db2.gz OVZKEWDJCPEHRH-UHFFFAOYSA-N 1 0 366.400 2.428 20 30 FEEDRO CCC[N@@H+]1CC[C@H](CNC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)C1 ZINC000123376844 543758208 /nfs/dbraw/zinc/75/82/08/543758208.db2.gz IMMHAIUBBZUZGE-QGZVFWFLSA-N 1 0 373.476 2.261 20 30 FEEDRO CCCCNC(=O)[C@H]1CC[C@H](C)[N@H+](CC(=O)NC2(C#N)CCCCC2)C1 ZINC000124009643 543796396 /nfs/dbraw/zinc/79/63/96/543796396.db2.gz VJHCNVURKLUWMS-IRXDYDNUSA-N 1 0 362.518 2.346 20 30 FEEDRO C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000125487165 543884337 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FEEDRO C#CC[NH+]1CCC(C(=O)Nc2cc(C(=O)NCC)c3ccccc3n2)CC1 ZINC000127542224 543999554 /nfs/dbraw/zinc/99/95/54/543999554.db2.gz DWZYJQGQVVWTBR-UHFFFAOYSA-N 1 0 364.449 2.268 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2c[nH]nc2-c2ccc(F)cc2)c1C#N ZINC000128158833 544036310 /nfs/dbraw/zinc/03/63/10/544036310.db2.gz HZPUCZLYSCLJLY-UHFFFAOYSA-N 1 0 367.388 2.215 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cnc(Cl)c(C)c2)CC1 ZINC000128974357 544083761 /nfs/dbraw/zinc/08/37/61/544083761.db2.gz IKEJIJZENXNIRK-UHFFFAOYSA-N 1 0 350.850 2.139 20 30 FEEDRO C[C@@H]1CN(c2ccc(C(=O)N(CCC#N)CCC[NH+](C)C)cn2)C[C@@H](C)O1 ZINC000129016223 544086023 /nfs/dbraw/zinc/08/60/23/544086023.db2.gz FMVGTBMNBLWECT-IAGOWNOFSA-N 1 0 373.501 2.003 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc(-n2cccn2)ccn1 ZINC000129544911 544117639 /nfs/dbraw/zinc/11/76/39/544117639.db2.gz VZPOREICNUACBG-UHFFFAOYSA-N 1 0 374.448 2.343 20 30 FEEDRO CCN(CC(=O)Nc1c(C)cccc1C)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000130175856 544141096 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2.248 20 30 FEEDRO N#Cc1cccc(CNC(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)c1 ZINC000137231412 544387598 /nfs/dbraw/zinc/38/75/98/544387598.db2.gz RMNNGFGYHDHLKJ-MOPGFXCFSA-N 1 0 356.470 2.125 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N[C@@H](C)c2nc(-c3ccc(F)cc3)no2)CC1 ZINC000140815874 544410205 /nfs/dbraw/zinc/41/02/05/544410205.db2.gz VWQWNEZKRHTKQP-ZDUSSCGKSA-N 1 0 356.401 2.398 20 30 FEEDRO C=CCOc1ccc(C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)cc1OC ZINC000136867157 544380451 /nfs/dbraw/zinc/38/04/51/544380451.db2.gz AXDAMYLTFXLWPA-MRXNPFEDSA-N 1 0 374.481 2.491 20 30 FEEDRO COC(=O)c1cccc(C[N@@H+]2CCCN(c3ncccc3C#N)CC2)c1 ZINC000142487153 544417019 /nfs/dbraw/zinc/41/70/19/544417019.db2.gz JYNWIOORIIFCBU-UHFFFAOYSA-N 1 0 350.422 2.452 20 30 FEEDRO C=C(C)COc1cccc(NC(=O)C(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c1 ZINC000151919064 544595318 /nfs/dbraw/zinc/59/53/18/544595318.db2.gz LGZDEVHOHPRUDE-GDBMZVCRSA-N 1 0 357.454 2.321 20 30 FEEDRO CN(C(=O)CN1CCC[C@@H](c2nncn2C2CC2)C1)C1(C#N)CCCCC1 ZINC000152467628 544657848 /nfs/dbraw/zinc/65/78/48/544657848.db2.gz BVAYGQYEJLJAPU-MRXNPFEDSA-N 1 0 370.501 2.477 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1ccc(Br)c(O)c1 ZINC000152607803 544673431 /nfs/dbraw/zinc/67/34/31/544673431.db2.gz KTZDAWHSJUOERJ-UHFFFAOYSA-N 1 0 354.248 2.462 20 30 FEEDRO C[NH+](C)C[C@@](C)(O)CNC(=O)c1cccc(COc2ccc(C#N)cc2)c1 ZINC000152679494 544682417 /nfs/dbraw/zinc/68/24/17/544682417.db2.gz DCRCHHAGFUMRPE-NRFANRHFSA-N 1 0 367.449 2.180 20 30 FEEDRO COCCC[N@H+](C)CCNC(=O)c1cc(C2CC2)nc(SC)c1C#N ZINC000152366466 544644093 /nfs/dbraw/zinc/64/40/93/544644093.db2.gz CDHCKYFJEZAFFO-UHFFFAOYSA-N 1 0 362.499 2.251 20 30 FEEDRO CCO[C@H]1C[C@H](O)C12CC[NH+](CCC(=O)Nc1ccccc1C#N)CC2 ZINC000152907898 544710119 /nfs/dbraw/zinc/71/01/19/544710119.db2.gz WTQMJVUCTUUXOZ-ROUUACIJSA-N 1 0 357.454 2.139 20 30 FEEDRO C[C@H](C(=O)N1CCCc2ccccc21)[N@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000153271702 544755417 /nfs/dbraw/zinc/75/54/17/544755417.db2.gz RUASPGBWDSSPRY-CQSZACIVSA-N 1 0 366.469 2.096 20 30 FEEDRO C[C@@H](CNC(=O)[C@@H](C)[N@H+](C)CCCc1[nH]nc(N)c1C#N)c1ccccc1 ZINC000153290980 544757403 /nfs/dbraw/zinc/75/74/03/544757403.db2.gz DZEYCEJDUYQDAD-LSDHHAIUSA-N 1 0 368.485 2.036 20 30 FEEDRO Cc1ccc(NC(=O)[C@@H](C)[N@H+](C)CCCc2[nH]nc(N)c2C#N)cc1F ZINC000153327404 544762606 /nfs/dbraw/zinc/76/26/06/544762606.db2.gz SJUXFVNYSHHKSS-GFCCVEGCSA-N 1 0 358.421 2.203 20 30 FEEDRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(CCOc2ccc(C#N)cc2)CC1 ZINC000153984438 544848233 /nfs/dbraw/zinc/84/82/33/544848233.db2.gz MWOBQWSSMGTIJY-KDURUIRLSA-N 1 0 356.514 2.427 20 30 FEEDRO COc1ccc(C#N)cc1CN(CC(=O)N1CCCC1)C[C@H]1CCCO1 ZINC000154145049 544869843 /nfs/dbraw/zinc/86/98/43/544869843.db2.gz ZBPZJQVFQAFMRN-GOSISDBHSA-N 1 0 357.454 2.170 20 30 FEEDRO CN(CCOCc1ccccc1)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000154582958 544924505 /nfs/dbraw/zinc/92/45/05/544924505.db2.gz SIIRXGIGVAEGLK-UHFFFAOYSA-N 1 0 358.463 2.481 20 30 FEEDRO COCCNS(=O)(=O)c1cccc(C[NH2+][C@@H](C)c2cccc(C#N)c2)c1 ZINC000181771194 327745656 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FEEDRO N#Cc1ccc(C(=O)NCc2ccccc2C[N@H+]2CCC[C@H]2CO)cc1O ZINC000189198661 328134281 /nfs/dbraw/zinc/13/42/81/328134281.db2.gz ZNMLTZMHWGOMHX-IBGZPJMESA-N 1 0 365.433 2.151 20 30 FEEDRO Cc1nc(C#N)c(N2CCC(C(=O)N[C@@H]3CCC[C@@H]([NH+](C)C)C3)CC2)o1 ZINC000189221308 328135717 /nfs/dbraw/zinc/13/57/17/328135717.db2.gz QQNFQDZVWXLIHB-HZPDHXFCSA-N 1 0 359.474 2.060 20 30 FEEDRO N#Cc1cc(F)ccc1NC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000189388636 328145050 /nfs/dbraw/zinc/14/50/50/328145050.db2.gz CWYJLNIVZMUHGA-INIZCTEOSA-N 1 0 358.417 2.113 20 30 FEEDRO COCCO[C@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000189676571 328161664 /nfs/dbraw/zinc/16/16/64/328161664.db2.gz VOFUAFOZXWCIPU-ZDUSSCGKSA-N 1 0 363.483 2.174 20 30 FEEDRO CCOc1ccc(C#N)cc1NC(=O)C(=O)N(CC)CCC[NH+]1CCCC1 ZINC000190694014 328225256 /nfs/dbraw/zinc/22/52/56/328225256.db2.gz UXAHHFGVRRKTLN-UHFFFAOYSA-N 1 0 372.469 2.230 20 30 FEEDRO C[C@H](NC(=O)C(=O)Nc1ccc(C#N)cc1)[C@@H](c1ccccc1)[NH+](C)C ZINC000191254825 328256744 /nfs/dbraw/zinc/25/67/44/328256744.db2.gz QRKMUKZQWJZNCZ-KSSFIOAISA-N 1 0 350.422 2.304 20 30 FEEDRO C[C@H]1CCC[C@@](CNC(=O)C(=O)Nc2ccc(F)c(C#N)c2)([NH+](C)C)C1 ZINC000077540714 324995412 /nfs/dbraw/zinc/99/54/12/324995412.db2.gz SLLZZGUOIXKKME-ORAYPTAESA-N 1 0 360.433 2.263 20 30 FEEDRO CCCNC(=O)C1([NH2+]C[C@@H](O)COc2ccc(C#N)cc2)CCCCC1 ZINC000078656227 325056842 /nfs/dbraw/zinc/05/68/42/325056842.db2.gz ZETMBSCKTVOMII-QGZVFWFLSA-N 1 0 359.470 2.117 20 30 FEEDRO N#Cc1ccc(Cl)c(NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)c1 ZINC000088775438 325300647 /nfs/dbraw/zinc/30/06/47/325300647.db2.gz LUXUNRBDDICOIR-ZDUSSCGKSA-N 1 0 360.845 2.283 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)C[C@H]2CCOc3ccccc32)c1C#N ZINC000089675639 325326662 /nfs/dbraw/zinc/32/66/62/325326662.db2.gz AVVAVKGHUDWDGM-CYBMUJFWSA-N 1 0 353.426 2.328 20 30 FEEDRO Cc1cc(C)cc(NC(=O)[C@H](C)[N@H+](C)CCCc2[nH]nc(N)c2C#N)c1 ZINC000089943028 325344055 /nfs/dbraw/zinc/34/40/55/325344055.db2.gz LJEBJCWFQLDCJN-AWEZNQCLSA-N 1 0 354.458 2.372 20 30 FEEDRO N#Cc1cccc(OC2CC[NH+](CCn3cc([N+](=O)[O-])ccc3=O)CC2)c1 ZINC000090526389 325362154 /nfs/dbraw/zinc/36/21/54/325362154.db2.gz XXFRSDWRMPDUHD-UHFFFAOYSA-N 1 0 368.393 2.172 20 30 FEEDRO C[NH+](C)CC[C@H](NC(=O)N1CCN(c2ncccc2C#N)CC1)C(C)(C)C ZINC000116438504 326015102 /nfs/dbraw/zinc/01/51/02/326015102.db2.gz KANYXARQSQRNIV-KRWDZBQOSA-N 1 0 372.517 2.151 20 30 FEEDRO CC(C)[C@H](Oc1ccccc1C#N)C(=O)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000116447808 326015597 /nfs/dbraw/zinc/01/55/97/326015597.db2.gz URIUVWJAOKSSJR-ICSRJNTNSA-N 1 0 373.497 2.171 20 30 FEEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+][C@@H]2CCCC[C@H]2n2cccn2)c1 ZINC000127930686 326515136 /nfs/dbraw/zinc/51/51/36/326515136.db2.gz RGXRRJCCMHKELZ-QZTJIDSGSA-N 1 0 358.467 2.302 20 30 FEEDRO CN(Cc1cccc(C#N)c1)C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000155903227 326810082 /nfs/dbraw/zinc/81/00/82/326810082.db2.gz USJOTFVLARNOKE-PMACEKPBSA-N 1 0 370.497 2.468 20 30 FEEDRO CC[C@H](C(=O)N1CCN(c2c(C#N)cnc3ccccc32)CC1)[NH+](C)C ZINC000158110824 326885513 /nfs/dbraw/zinc/88/55/13/326885513.db2.gz QWYFGKIGTCWJGN-GOSISDBHSA-N 1 0 351.454 2.095 20 30 FEEDRO Cc1c(/C=C/C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)cnn1C ZINC000161491966 327000981 /nfs/dbraw/zinc/00/09/81/327000981.db2.gz JHRVEFAYFSUFNY-CMDGGOBGSA-N 1 0 351.454 2.204 20 30 FEEDRO COc1ccnc(N2CC[NH+](CCC(=O)Nc3cccc(C#N)c3)CC2)c1 ZINC000171613183 327148412 /nfs/dbraw/zinc/14/84/12/327148412.db2.gz ZKGMCUSVOPELTB-UHFFFAOYSA-N 1 0 365.437 2.113 20 30 FEEDRO Cc1oc(NC(=O)[C@@H](C)N2CC[NH+](CC3CCOCC3)CC2)c(C#N)c1C ZINC000172428746 327201406 /nfs/dbraw/zinc/20/14/06/327201406.db2.gz PNSGEOGCEDWXLF-OAHLLOKOSA-N 1 0 374.485 2.139 20 30 FEEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000175068743 327371884 /nfs/dbraw/zinc/37/18/84/327371884.db2.gz RUYRYXWCWZEBIU-SJORKVTESA-N 1 0 370.497 2.270 20 30 FEEDRO Cc1cccc(NC(=O)C(=O)N(CC[NH+](C)C)Cc2cccs2)c1C#N ZINC000176114017 327435280 /nfs/dbraw/zinc/43/52/80/327435280.db2.gz UEHJZYZHBPDVAI-UHFFFAOYSA-N 1 0 370.478 2.457 20 30 FEEDRO Cc1c(C#N)cccc1NC(=O)C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000178409425 327583293 /nfs/dbraw/zinc/58/32/93/327583293.db2.gz CJYYDTTXBWQBNB-GOSISDBHSA-N 1 0 368.412 2.363 20 30 FEEDRO CCCN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000262058101 328838996 /nfs/dbraw/zinc/83/89/96/328838996.db2.gz NPZFFGLEKGMKBD-GFCCVEGCSA-N 1 0 361.389 2.340 20 30 FEEDRO C[NH2+]C[C@@H]1CCCN(S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)C1 ZINC000262155673 328846525 /nfs/dbraw/zinc/84/65/25/328846525.db2.gz ZIFXOMOMFXCQEX-NSHDSACASA-N 1 0 361.389 2.197 20 30 FEEDRO N#Cc1ccccc1NC(=O)CC[N@@H+]1CCNC(=O)C[C@H]1c1ccccc1 ZINC000264229932 329002403 /nfs/dbraw/zinc/00/24/03/329002403.db2.gz RFIOAFORDZDZPJ-IBGZPJMESA-N 1 0 362.433 2.450 20 30 FEEDRO C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000266628086 329243422 /nfs/dbraw/zinc/24/34/22/329243422.db2.gz HFQUQPHMBKUGAP-KRWDZBQOSA-N 1 0 371.481 2.429 20 30 FEEDRO CC[N@H+](CCCO)CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 ZINC000266869747 329267480 /nfs/dbraw/zinc/26/74/80/329267480.db2.gz PIWPQZSAMFBMKI-UHFFFAOYSA-N 1 0 358.442 2.261 20 30 FEEDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CCCN(c2ccccc2C#N)CC1 ZINC000268161138 329392048 /nfs/dbraw/zinc/39/20/48/329392048.db2.gz OMJUKSYCYSTRSF-QFBILLFUSA-N 1 0 367.497 2.263 20 30 FEEDRO CC(C)[NH+]1CCC(N2CCN(c3ccc([N+](=O)[O-])cc3C#N)CC2)CC1 ZINC000269296101 329505130 /nfs/dbraw/zinc/50/51/30/329505130.db2.gz APCKKNDUYGNBPS-UHFFFAOYSA-N 1 0 357.458 2.461 20 30 FEEDRO CS[C@@H]1CN([C@H](C)C(=O)Nc2ccccc2C#N)C[C@H]1[NH+]1CCCC1 ZINC000274012241 329908782 /nfs/dbraw/zinc/90/87/82/329908782.db2.gz KZGYSKMJYHXUER-ZTFGCOKTSA-N 1 0 358.511 2.397 20 30 FEEDRO N#Cc1ccc([C@@H](O)C[NH+]2CCC(c3nnc4n3CCCC4)CC2)cc1 ZINC000275049605 330005348 /nfs/dbraw/zinc/00/53/48/330005348.db2.gz ZZXYHZUTCOQYTO-SFHVURJKSA-N 1 0 351.454 2.399 20 30 FEEDRO CCN(CCC[NH+](CC)CC)C(=O)C(=O)Nc1cc(C#N)ccc1OC ZINC000276279100 330136587 /nfs/dbraw/zinc/13/65/87/330136587.db2.gz HQVTWRRPVITOJV-UHFFFAOYSA-N 1 0 360.458 2.086 20 30 FEEDRO COc1cc(C[N@@H+]2CCC[C@@H](c3n[nH]cc3C(=O)N(C)C)C2)ccc1C#N ZINC000367036681 330209890 /nfs/dbraw/zinc/20/98/90/330209890.db2.gz OXNFPGHXFOBFNI-MRXNPFEDSA-N 1 0 367.453 2.371 20 30 FEEDRO Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)NCC[N@H+]3CCCC[C@@H]3C)C2)n1 ZINC000377932282 330252817 /nfs/dbraw/zinc/25/28/17/330252817.db2.gz OEKKYTXHUKKCDX-PKOBYXMFSA-N 1 0 369.513 2.469 20 30 FEEDRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000416706002 330262349 /nfs/dbraw/zinc/26/23/49/330262349.db2.gz MHGULFMDNDYAGV-UZLBHIALSA-N 1 0 369.513 2.261 20 30 FEEDRO C[C@@H](C(=O)Nc1ncccn1)N(C)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC000328636925 524308969 /nfs/dbraw/zinc/30/89/69/524308969.db2.gz OIWDXMRXCASHBO-YQQAZPJKSA-N 1 0 371.489 2.202 20 30 FEEDRO C#Cc1cccc(NC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000156026341 545593690 /nfs/dbraw/zinc/59/36/90/545593690.db2.gz CJLDOOFQDXXOLB-VQIMIIECSA-N 1 0 351.450 2.082 20 30 FEEDRO COCC[N@@H+](Cc1ccc2c(c1)OCO2)C[C@H](O)c1ccc(C#N)cc1 ZINC000156332348 545618048 /nfs/dbraw/zinc/61/80/48/545618048.db2.gz VCFQXKZYYNSAJM-SFHVURJKSA-N 1 0 354.406 2.469 20 30 FEEDRO CC(=O)N1CC[C@@H](C[N@@H+](C)CC(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000156558111 545635420 /nfs/dbraw/zinc/63/54/20/545635420.db2.gz GCGRRWCDRBNAGK-IBGZPJMESA-N 1 0 370.497 2.350 20 30 FEEDRO CC(=O)N1CC[C@@H](C[N@@H+](C)CC(=O)N(CCC#N)c2cccc(C)c2C)C1 ZINC000156623220 545640387 /nfs/dbraw/zinc/64/03/87/545640387.db2.gz ZFAQXJCTSPQARI-IBGZPJMESA-N 1 0 370.497 2.350 20 30 FEEDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNS(=O)(=O)c2ccc(F)cc2C#N)C1 ZINC000156711733 545650906 /nfs/dbraw/zinc/65/09/06/545650906.db2.gz PJCFKJAZSHFHMA-CYBMUJFWSA-N 1 0 353.463 2.486 20 30 FEEDRO N#Cc1cccc(S(=O)(=O)CCN2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000156774557 545658956 /nfs/dbraw/zinc/65/89/56/545658956.db2.gz HNOUDJBHDXNXLA-SFHVURJKSA-N 1 0 361.511 2.282 20 30 FEEDRO CCOc1ccnc(N2CCCN(Cc3cc(C#N)ccc3OC)CC2)n1 ZINC000157270270 545721773 /nfs/dbraw/zinc/72/17/73/545721773.db2.gz PYAOFDQTYQRDFD-UHFFFAOYSA-N 1 0 367.453 2.468 20 30 FEEDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000157356633 545730575 /nfs/dbraw/zinc/73/05/75/545730575.db2.gz NIMKMTKNHZVBIO-CZUORRHYSA-N 1 0 360.845 2.093 20 30 FEEDRO N#Cc1cc(S(=O)(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)ccc1F ZINC000160168931 546013214 /nfs/dbraw/zinc/01/32/14/546013214.db2.gz BLIZTWAITHWZHE-HNNXBMFYSA-N 1 0 351.447 2.336 20 30 FEEDRO CC[NH+]1CCN([C@@H]2CCN(C(=O)N[C@@H](CCC#N)c3ccccc3)C2)CC1 ZINC000160665227 546061695 /nfs/dbraw/zinc/06/16/95/546061695.db2.gz PNUXIKAWOSIEOR-UXHICEINSA-N 1 0 369.513 2.453 20 30 FEEDRO N#CCCCS(=O)(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000161831735 546133989 /nfs/dbraw/zinc/13/39/89/546133989.db2.gz AIMMCOJJBMYQPS-HNNXBMFYSA-N 1 0 371.890 2.233 20 30 FEEDRO COc1ccc(CNC(=[NH2+])N[C@H]2[C@@H]3CCO[C@@H]3C23CCCC3)cc1OC ZINC000162882211 546142419 /nfs/dbraw/zinc/14/24/19/546142419.db2.gz UASYMMJBHOKGLS-WBAXXEDZSA-N 1 0 359.470 2.456 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C[C@H](NC(C)=O)c2c(F)cccc2F)CC1 ZINC000171715223 546220640 /nfs/dbraw/zinc/22/06/40/546220640.db2.gz OLJGILWINREORW-KRWDZBQOSA-N 1 0 365.424 2.299 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)c2ccc(S(=O)(=O)C(C)C)cc2)CC1 ZINC000171718263 546220813 /nfs/dbraw/zinc/22/08/13/546220813.db2.gz HJGHFABUKSXLFZ-UHFFFAOYSA-N 1 0 350.484 2.249 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N2CCC[C@@H](C(=O)N[C@@H](C)CCC)C2)CC1 ZINC000171738601 546223218 /nfs/dbraw/zinc/22/32/18/546223218.db2.gz SPGYUDNQXMWGJU-DLBZAZTESA-N 1 0 364.534 2.363 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)NCCCC(=O)N2Cc3ccccc3C2)CC1 ZINC000171907836 546229777 /nfs/dbraw/zinc/22/97/77/546229777.db2.gz NOYHPSGULMFGSS-UHFFFAOYSA-N 1 0 370.497 2.259 20 30 FEEDRO C=CC1CC[NH+](CC(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)CC1 ZINC000171953514 546231770 /nfs/dbraw/zinc/23/17/70/546231770.db2.gz IUDREXWFJIAABV-UHFFFAOYSA-N 1 0 369.509 2.164 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@@H](C)n2nnc(-c3ccccc3)n2)CC1 ZINC000173102386 546273281 /nfs/dbraw/zinc/27/32/81/546273281.db2.gz SJSJBIWLGFIZTE-OAHLLOKOSA-N 1 0 354.458 2.058 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(COC(C)C)cc2)CC1 ZINC000173275519 546277262 /nfs/dbraw/zinc/27/72/62/546277262.db2.gz YRXMDMUHSSVCTK-UHFFFAOYSA-N 1 0 359.470 2.317 20 30 FEEDRO C=CCN1CCC([NH2+][C@@H](C)c2cccc(S(=O)(=O)N(C)C)c2)CC1 ZINC000173398268 546280322 /nfs/dbraw/zinc/28/03/22/546280322.db2.gz DNPJLJDPRJYFNZ-HNNXBMFYSA-N 1 0 351.516 2.238 20 30 FEEDRO C[C@H]1CCN(CC(=O)N[C@@](C)(C#N)C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000174430859 546296108 /nfs/dbraw/zinc/29/61/08/546296108.db2.gz YRCYEDCWTWCRNB-UWJYYQICSA-N 1 0 354.498 2.391 20 30 FEEDRO C[NH+]=C(NCCc1cc(Cl)c2c(c1)OCCO2)NCC1CCOCC1 ZINC000175474868 546311616 /nfs/dbraw/zinc/31/16/16/546311616.db2.gz HNBWSHQIRJRONF-UHFFFAOYSA-N 1 0 367.877 2.245 20 30 FEEDRO CN1CC[N@H+](CCCNC(=O)NCC(C)(C)C#N)[C@H](c2ccccc2)C1 ZINC000479820269 561197767 /nfs/dbraw/zinc/19/77/67/561197767.db2.gz XIIVBKCWSXWQEO-SFHVURJKSA-N 1 0 357.502 2.214 20 30 FEEDRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)C(=O)Nc2ccc(F)cc2C#N)C1 ZINC000175948796 546377905 /nfs/dbraw/zinc/37/79/05/546377905.db2.gz KNJCISAEZHIPBJ-KBPBESRZSA-N 1 0 360.433 2.120 20 30 FEEDRO Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NCc1ccc(C#N)cc1F ZINC000176076868 546403106 /nfs/dbraw/zinc/40/31/06/546403106.db2.gz GZAMQNJSLDYWHC-UHFFFAOYSA-N 1 0 368.412 2.322 20 30 FEEDRO CCO[C@H]1C[C@H](N(C)CCS(=O)(=O)c2ccc(C#N)cc2)C1(C)C ZINC000176260443 546424968 /nfs/dbraw/zinc/42/49/68/546424968.db2.gz RDGKUCJNEODQQN-IRXDYDNUSA-N 1 0 350.484 2.467 20 30 FEEDRO CCNC(=O)c1ccc(NC(=O)N(CCC#N)CCC[NH+](C)C)c(C)c1 ZINC000176554669 546461045 /nfs/dbraw/zinc/46/10/45/546461045.db2.gz MXHGPUVPAAKRKW-UHFFFAOYSA-N 1 0 359.474 2.444 20 30 FEEDRO CC(C)(CNS(=O)(=O)Cc1ccc(C#N)cc1F)[NH+]1CCCCC1 ZINC000481024660 561223148 /nfs/dbraw/zinc/22/31/48/561223148.db2.gz NYZLSTWLGRBFEM-UHFFFAOYSA-N 1 0 353.463 2.381 20 30 FEEDRO C[NH+](C)C(C)(C)CNC(=O)C(=O)Nc1scc(C(C)(C)C)c1C#N ZINC000555814011 674377241 /nfs/dbraw/zinc/37/72/41/674377241.db2.gz CLHICOJNHVFOCR-UHFFFAOYSA-N 1 0 350.488 2.312 20 30 FEEDRO CC[NH+](CC)C[C@@H]1CCN(S(=O)(=O)Cc2ccc(C#N)cc2F)C1 ZINC000481069497 561224430 /nfs/dbraw/zinc/22/44/30/561224430.db2.gz ILGHIUXDFQMKRM-HNNXBMFYSA-N 1 0 353.463 2.191 20 30 FEEDRO C=CCOc1ccccc1CNC(=O)C(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000481880094 561244571 /nfs/dbraw/zinc/24/45/71/561244571.db2.gz SKPLIKPQOLOJFB-DLBZAZTESA-N 1 0 373.497 2.104 20 30 FEEDRO C=CCOc1ccccc1CNC(=O)C(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000481880096 561244654 /nfs/dbraw/zinc/24/46/54/561244654.db2.gz SKPLIKPQOLOJFB-IRXDYDNUSA-N 1 0 373.497 2.104 20 30 FEEDRO Cc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000179473326 546960974 /nfs/dbraw/zinc/96/09/74/546960974.db2.gz OEQHVWNRIRRXIS-IEBWSBKVSA-N 1 0 362.433 2.367 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)Nc2ccc(S(=O)(=O)C(F)(F)F)cc2)CC1 ZINC000179828243 547017921 /nfs/dbraw/zinc/01/79/21/547017921.db2.gz RQVRMDZRZGUHHB-UHFFFAOYSA-N 1 0 374.384 2.264 20 30 FEEDRO COCCOC[C@@H]1CC[N@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000180215732 547069416 /nfs/dbraw/zinc/06/94/16/547069416.db2.gz LTGBRVFKBVWDTH-QGZVFWFLSA-N 1 0 354.454 2.444 20 30 FEEDRO CC(=O)N1CC[C@H](C[N@@H+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000180288278 547079871 /nfs/dbraw/zinc/07/98/71/547079871.db2.gz OLFVWIHWEDTTCR-QGZVFWFLSA-N 1 0 351.454 2.259 20 30 FEEDRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000180395273 547100600 /nfs/dbraw/zinc/10/06/00/547100600.db2.gz MWQADIYNTGNFOS-UHFFFAOYSA-N 1 0 354.498 2.340 20 30 FEEDRO C[C@H](NC(=O)C(=O)Nc1ccc(F)c(C#N)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000180414738 547105614 /nfs/dbraw/zinc/10/56/14/547105614.db2.gz UUMMTTZARKIJRD-UONOGXRCSA-N 1 0 372.444 2.405 20 30 FEEDRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+]Cc2ccc(OCC#N)cc2)c1 ZINC000180553055 547129673 /nfs/dbraw/zinc/12/96/73/547129673.db2.gz RTPZBBKPHDDUBV-AWEZNQCLSA-N 1 0 359.451 2.348 20 30 FEEDRO CC#CCCNC(=O)NCCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000482867230 561261760 /nfs/dbraw/zinc/26/17/60/561261760.db2.gz HRLMGMYVYVYXER-UHFFFAOYSA-N 1 0 356.514 2.297 20 30 FEEDRO C=CCc1ccccc1OC[C@H](O)C[N@H+]1C[C@H](CC)O[C@]2(CCOC2)C1 ZINC000483148906 561268859 /nfs/dbraw/zinc/26/88/59/561268859.db2.gz DOWQYINOUBPPMT-SVFBPWRDSA-N 1 0 361.482 2.425 20 30 FEEDRO C[C@H]([NH2+]CC(=O)N[C@@](C)(C#N)C1CC1)c1cccc(N2CCCC2=O)c1 ZINC000181398819 547307604 /nfs/dbraw/zinc/30/76/04/547307604.db2.gz DACAQQBDFCNKAG-XOBRGWDASA-N 1 0 354.454 2.272 20 30 FEEDRO C[C@H]1OCC[C@H]1[N@H+](CCO)CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000483315586 561273963 /nfs/dbraw/zinc/27/39/63/561273963.db2.gz OYDAWPSSFYRJCP-MLGOLLRUSA-N 1 0 351.834 2.012 20 30 FEEDRO C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000181657256 547354844 /nfs/dbraw/zinc/35/48/44/547354844.db2.gz WHBBXKGKWWFAFV-MRXNPFEDSA-N 1 0 372.469 2.154 20 30 FEEDRO CC[C@H]([NH2+]CC(=O)N1CCN([C@H](C#N)C(C)C)CC1)c1ccc(OC)cc1 ZINC000181822621 547387334 /nfs/dbraw/zinc/38/73/34/547387334.db2.gz CBUOORHVARGKOP-VQTJNVASSA-N 1 0 372.513 2.428 20 30 FEEDRO C[C@H]([NH2+]CCC(=O)N1CCN(c2ccccn2)CC1)c1cccc(C#N)c1 ZINC000181982332 547417412 /nfs/dbraw/zinc/41/74/12/547417412.db2.gz LRDOUNAWISOCAM-KRWDZBQOSA-N 1 0 363.465 2.343 20 30 FEEDRO N#Cc1ccc(N2CCC[C@@H](N3CC[C@H](C[NH+]4CCCC4)C3)C2=O)cc1 ZINC000182805721 547555136 /nfs/dbraw/zinc/55/51/36/547555136.db2.gz UXGSFROGCODYRI-UYAOXDASSA-N 1 0 352.482 2.471 20 30 FEEDRO C=CCCN(C)C(=O)C(=O)Nc1cc(C)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000484116137 561291877 /nfs/dbraw/zinc/29/18/77/561291877.db2.gz PGJYILXSOBZBDP-UHFFFAOYSA-N 1 0 372.513 2.498 20 30 FEEDRO N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)C[NH+]2C[C@H]3CCC[C@@H]3C2)CC1 ZINC000183186215 547618139 /nfs/dbraw/zinc/61/81/39/547618139.db2.gz RSQZOVKKHQJYEY-QWFCFKBJSA-N 1 0 370.472 2.266 20 30 FEEDRO CCO[C@@H]1COCC[C@H]1[NH2+][C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000484650569 561302303 /nfs/dbraw/zinc/30/23/03/561302303.db2.gz MSIZHZYWDLQJOA-ZTFGCOKTSA-N 1 0 363.433 2.244 20 30 FEEDRO CNC(=O)[C@@H]([NH2+]CC(=O)Nc1ccccc1SC[C@H](C)C#N)C(C)C ZINC000183660510 547697344 /nfs/dbraw/zinc/69/73/44/547697344.db2.gz AQNKZEGFUCHCLB-DYVFJYSZSA-N 1 0 362.499 2.237 20 30 FEEDRO CCO[C@H]1COCC[C@@H]1[NH2+]CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000484615172 561301059 /nfs/dbraw/zinc/30/10/59/561301059.db2.gz LIGCFRSNKDWADL-IRXDYDNUSA-N 1 0 365.861 2.370 20 30 FEEDRO CC[N@H+](CCO)CCNC(=O)c1cccc(OCc2ccccc2C#N)c1 ZINC000183920567 547740037 /nfs/dbraw/zinc/74/00/37/547740037.db2.gz KMKNHEMKRPFFFD-UHFFFAOYSA-N 1 0 367.449 2.181 20 30 FEEDRO CC(C)Oc1ccc(NC(=O)N[C@H](C)CC[NH+]2CCN(C)CC2)cc1C#N ZINC000184546246 547843020 /nfs/dbraw/zinc/84/30/20/547843020.db2.gz MNSHLDAFYXGXCE-MRXNPFEDSA-N 1 0 373.501 2.493 20 30 FEEDRO C[NH+](C)CC1CCC(NC(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1 ZINC000184643109 547859462 /nfs/dbraw/zinc/85/94/62/547859462.db2.gz YLCCABMZCVZEIO-UHFFFAOYSA-N 1 0 367.457 2.381 20 30 FEEDRO CC(C)[C@H]([NH2+]CCCOc1cccc(C#N)c1)c1nc(-c2nc[nH]n2)no1 ZINC000184875679 547891463 /nfs/dbraw/zinc/89/14/63/547891463.db2.gz JRQMIEXOKLKITJ-HNNXBMFYSA-N 1 0 367.413 2.482 20 30 FEEDRO COc1cc(C#N)ccc1S(=O)(=O)N[C@H](C)C[N@H+](C)Cc1ccccc1 ZINC000185900228 548054306 /nfs/dbraw/zinc/05/43/06/548054306.db2.gz PNOZFWQLUPDOBV-OAHLLOKOSA-N 1 0 373.478 2.366 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCCN(c3ccccn3)CC2)CC1 ZINC000186439848 548135684 /nfs/dbraw/zinc/13/56/84/548135684.db2.gz MTRVOFNYEAPIDW-UHFFFAOYSA-N 1 0 357.502 2.344 20 30 FEEDRO CCN1CC[NH+](CCCCNC(=O)C2(c3ccc(C#N)cc3)CC2)CC1 ZINC000186912285 548216620 /nfs/dbraw/zinc/21/66/20/548216620.db2.gz KVEOJTGUSKIJJW-UHFFFAOYSA-N 1 0 354.498 2.124 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)NCC2=CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000188369919 548277849 /nfs/dbraw/zinc/27/78/49/548277849.db2.gz KVBUQRINHWAMME-UHFFFAOYSA-N 1 0 361.486 2.015 20 30 FEEDRO C=C(C)CS(=O)(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000189538592 548305206 /nfs/dbraw/zinc/30/52/06/548305206.db2.gz XEYJYIGFSMJUAK-UHFFFAOYSA-N 1 0 351.516 2.084 20 30 FEEDRO CCO[C@@H]1C[C@](CO)([NH2+]CC(=O)N(CCC#N)c2ccccc2)C1(C)C ZINC000189994793 548315204 /nfs/dbraw/zinc/31/52/04/548315204.db2.gz VBAQEWOGKASLNA-YLJYHZDGSA-N 1 0 359.470 2.089 20 30 FEEDRO CCc1nc(C2CCN([C@@H](C)C(=O)NC3(C#N)CCCCC3)CC2)n[nH]1 ZINC000190692283 548332873 /nfs/dbraw/zinc/33/28/73/548332873.db2.gz WVZUTLIJQNGCDJ-AWEZNQCLSA-N 1 0 358.490 2.278 20 30 FEEDRO C=CCN(CCOC)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000190836636 548335251 /nfs/dbraw/zinc/33/52/51/548335251.db2.gz PLRFDSAQNBAKAM-LJQANCHMSA-N 1 0 361.486 2.122 20 30 FEEDRO C=CCSc1ccccc1NC(=O)C[N@@H+](C)C1(CO)CCOCC1 ZINC000191026840 548339077 /nfs/dbraw/zinc/33/90/77/548339077.db2.gz XVFCYQUSSBCTPL-UHFFFAOYSA-N 1 0 350.484 2.377 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)CN(C)C(=O)OCc2ccccc2)CC1 ZINC000191237566 548342897 /nfs/dbraw/zinc/34/28/97/548342897.db2.gz ZDYDXRTXDHTHMN-UHFFFAOYSA-N 1 0 359.470 2.412 20 30 FEEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000192066485 548357300 /nfs/dbraw/zinc/35/73/00/548357300.db2.gz SWXZTGPKMGYMDO-BYCMXARLSA-N 1 0 351.834 2.160 20 30 FEEDRO CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000192128958 548359941 /nfs/dbraw/zinc/35/99/41/548359941.db2.gz UGXIEDLVFOHMRA-JQHSSLGASA-N 1 0 351.397 2.439 20 30 FEEDRO CCS(=O)(=O)N1CCC([NH2+][C@H](C)c2ccc(OCC#N)cc2)CC1 ZINC000192954160 548376518 /nfs/dbraw/zinc/37/65/18/548376518.db2.gz RNZTUGKJGQIKKD-CQSZACIVSA-N 1 0 351.472 2.054 20 30 FEEDRO Cc1nc(C#N)c(N2CCC(C(=O)N3CCCC[C@@H]3C[NH+](C)C)CC2)o1 ZINC000193153066 548381389 /nfs/dbraw/zinc/38/13/89/548381389.db2.gz MMVHGACPGKBSIW-MRXNPFEDSA-N 1 0 359.474 2.014 20 30 FEEDRO N#C[C@@H](c1ccccc1)N1CCN(C(=O)C2CC[NH+](C3CC3)CC2)CC1 ZINC000193935444 548408679 /nfs/dbraw/zinc/40/86/79/548408679.db2.gz ZCHIRGRCQAZVAU-FQEVSTJZSA-N 1 0 352.482 2.270 20 30 FEEDRO C=CCN(C(=O)[C@@H]1C[N@H+](C)C[C@H]1C)[C@H](Cc1ccccc1)C(=O)OCC ZINC000487354982 561368209 /nfs/dbraw/zinc/36/82/09/561368209.db2.gz OXTCRLWTICSREQ-BHIYHBOVSA-N 1 0 358.482 2.373 20 30 FEEDRO COCCOC[C@@H]1CC[N@@H+]([C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1 ZINC000245439818 548920406 /nfs/dbraw/zinc/92/04/06/548920406.db2.gz GAJSIWJJTBCTDK-SFANZJOMSA-N 1 0 365.518 2.291 20 30 FEEDRO COCCN(CCS(=O)(=O)c1ccc(C#N)cc1)[C@@H]1CCC[C@H]1C ZINC000487978303 561380588 /nfs/dbraw/zinc/38/05/88/561380588.db2.gz XNTHMPLDDOTTNX-CRAIPNDOSA-N 1 0 350.484 2.469 20 30 FEEDRO C=CCCC[C@@H](C)NC(=O)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000488146883 561384564 /nfs/dbraw/zinc/38/45/64/561384564.db2.gz PAIYTZHPRCZJBB-RLLQIKCJSA-N 1 0 369.509 2.438 20 30 FEEDRO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2C[C@H](C(N)=O)CC[C@H]2C)c1C ZINC000245874283 549007788 /nfs/dbraw/zinc/00/77/88/549007788.db2.gz XKHARMZCLFAWAU-NVXWUHKLSA-N 1 0 356.470 2.136 20 30 FEEDRO CCC[C@@H]1CN([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CC[N@@H+]1CCOC ZINC000245926825 549020783 /nfs/dbraw/zinc/02/07/83/549020783.db2.gz OSMQCPFGIVTSPN-UXHICEINSA-N 1 0 370.497 2.096 20 30 FEEDRO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1cccc(Cl)c1C#N ZINC000246097169 549051452 /nfs/dbraw/zinc/05/14/52/549051452.db2.gz LLGSXRYSKJGCON-OLZOCXBDSA-N 1 0 353.875 2.459 20 30 FEEDRO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CCc3ccccc3[C@@H]2C)CC1 ZINC000246165508 549068003 /nfs/dbraw/zinc/06/80/03/549068003.db2.gz UXGAMKPEFQFXPJ-FXAWDEMLSA-N 1 0 354.498 2.298 20 30 FEEDRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N1CCO[C@@H](C#N)C1 ZINC000246285450 549096875 /nfs/dbraw/zinc/09/68/75/549096875.db2.gz AIGFPZHRSMOJAA-OGWHTMIXSA-N 1 0 356.470 2.077 20 30 FEEDRO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000246410141 549126915 /nfs/dbraw/zinc/12/69/15/549126915.db2.gz JXDUBKSMLQYWMR-YPMHNXCESA-N 1 0 373.400 2.434 20 30 FEEDRO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](OCCCc2ccccc2)C1 ZINC000246984279 549257793 /nfs/dbraw/zinc/25/77/93/549257793.db2.gz JRQQFSXLHZLUNI-FUHWJXTLSA-N 1 0 359.470 2.110 20 30 FEEDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000247127465 549288101 /nfs/dbraw/zinc/28/81/01/549288101.db2.gz NIMKMTKNHZVBIO-XJKSGUPXSA-N 1 0 360.845 2.093 20 30 FEEDRO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1cnc(C)c(C#N)c1 ZINC000489580506 561414786 /nfs/dbraw/zinc/41/47/86/561414786.db2.gz DGWQEHQSJKPAQX-YJBOKZPZSA-N 1 0 364.515 2.441 20 30 FEEDRO CCOCCC[N@@H+]1CC[C@H](NCC(=O)Nc2cccc(C#N)c2)[C@@H](C)C1 ZINC000249439238 549592342 /nfs/dbraw/zinc/59/23/42/549592342.db2.gz LRFDXEOEUVOULB-LPHOPBHVSA-N 1 0 358.486 2.223 20 30 FEEDRO CN(CCC#N)C(=O)CC[N@@H+]1CCC[C@@H](c2nc(C(F)(F)F)cn2C)C1 ZINC000489770959 561418764 /nfs/dbraw/zinc/41/87/64/561418764.db2.gz HIRWNLXQRWTYAK-CYBMUJFWSA-N 1 0 371.407 2.380 20 30 FEEDRO C[C@H]1CN(c2nccnc2C#N)CCN1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255886399 549709235 /nfs/dbraw/zinc/70/92/35/549709235.db2.gz LQGFBSXXMNNNON-VOKGJARPSA-N 1 0 364.409 2.480 20 30 FEEDRO Cc1nc(C)c(CNC(NCc2nnc(C)n2C)=[NH+]C2CCCC2)s1 ZINC000261936594 549770960 /nfs/dbraw/zinc/77/09/60/549770960.db2.gz COHYJQQODOMGHK-UHFFFAOYSA-N 1 0 361.519 2.375 20 30 FEEDRO C[C@H](NC(NCC(=O)N(C)C)=[NH+][C@@H]1[C@H]2CCO[C@H]2C1(C)C)c1ccccc1 ZINC000262348671 549813199 /nfs/dbraw/zinc/81/31/99/549813199.db2.gz YLDBRMGVZOOCAD-RGIVZKHGSA-N 1 0 372.513 2.185 20 30 FEEDRO CS(=O)(=O)Cc1ccc(CNC(=[NH2+])N[C@@H]2CCOc3ccccc32)cc1 ZINC000262434534 549819398 /nfs/dbraw/zinc/81/93/98/549819398.db2.gz CBARHJKMCOBYJF-QGZVFWFLSA-N 1 0 373.478 2.159 20 30 FEEDRO CC[NH+]=C(NCCc1cn2ccccc2n1)N1CC[C@H](c2cnn(C)c2)C1 ZINC000262447685 549820364 /nfs/dbraw/zinc/82/03/64/549820364.db2.gz JFKOENBYNUFNKP-INIZCTEOSA-N 1 0 365.485 2.065 20 30 FEEDRO CC[NH+]=C(NC[C@](C)(O)c1ccsc1)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000262465644 549822386 /nfs/dbraw/zinc/82/23/86/549822386.db2.gz YDWOJIQITWDKRH-KRXQYRFLSA-N 1 0 351.516 2.324 20 30 FEEDRO C[NH+]=C(NCc1nn(-c2ccccc2)c2c1CCC2)N1CC[C@@H](COC)C1 ZINC000262483854 549823573 /nfs/dbraw/zinc/82/35/73/549823573.db2.gz SCXIRLDHKXDFGN-MRXNPFEDSA-N 1 0 367.497 2.405 20 30 FEEDRO [NH2+]=C(NCCNC(=O)c1ccc(Cl)cc1)N[C@H]1CCOc2ccccc21 ZINC000262572937 549829012 /nfs/dbraw/zinc/82/90/12/549829012.db2.gz ZLCXQANUNJPIAV-INIZCTEOSA-N 1 0 372.856 2.498 20 30 FEEDRO Cc1nc(C(=O)N2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)ccc1C#N ZINC000263725079 549926706 /nfs/dbraw/zinc/92/67/06/549926706.db2.gz FGISTZFYSHJDNU-HUUCEWRRSA-N 1 0 356.470 2.223 20 30 FEEDRO CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCC(C(=O)Nc2cccc(F)c2)CC1 ZINC000263785497 549936690 /nfs/dbraw/zinc/93/66/90/549936690.db2.gz ZUODAZSWQYJRDU-HNNXBMFYSA-N 1 0 374.460 2.484 20 30 FEEDRO C[C@H](NC(=[NH2+])NCCCS(C)(=O)=O)c1ccc(Cl)cc1Cl ZINC000264078878 549976276 /nfs/dbraw/zinc/97/62/76/549976276.db2.gz GTJVBWGQDBPKEX-VIFPVBQESA-N 1 0 352.287 2.393 20 30 FEEDRO C[C@H](OCCCNC(=[NH2+])N1CCN(c2ncccn2)CC1)c1ccccc1 ZINC000264130089 549982678 /nfs/dbraw/zinc/98/26/78/549982678.db2.gz SYSUJEVHFBEFKJ-KRWDZBQOSA-N 1 0 368.485 2.081 20 30 FEEDRO C#CCOc1cccc(NC(=O)C(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)c1 ZINC000264577909 549998450 /nfs/dbraw/zinc/99/84/50/549998450.db2.gz WYKWVDCZRLATPG-QGZVFWFLSA-N 1 0 371.481 2.265 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)CC1 ZINC000264682422 549999595 /nfs/dbraw/zinc/99/95/95/549999595.db2.gz LAZTWNAMTRZDHF-IBGZPJMESA-N 1 0 356.466 2.245 20 30 FEEDRO N#CCCn1cc(CNC[C@H](O)C[NH+]2CCCC2)c(-c2ccccc2)n1 ZINC000264936432 550004275 /nfs/dbraw/zinc/00/42/75/550004275.db2.gz DFARIURIUQBRNO-IBGZPJMESA-N 1 0 353.470 2.010 20 30 FEEDRO CCS(=O)(=O)C[C@@H](C)[NH2+]Cc1ccc(OC)c(OCCCC#N)c1 ZINC000264935382 550004364 /nfs/dbraw/zinc/00/43/64/550004364.db2.gz CMGCSAORKOGLRQ-CQSZACIVSA-N 1 0 354.472 2.291 20 30 FEEDRO CCOc1ccc(NC(=O)CON=C(N)c2ccc(C[NH+](C)C)cc2)cc1 ZINC000267008393 550026870 /nfs/dbraw/zinc/02/68/70/550026870.db2.gz LHJCUVICHUIKOM-UHFFFAOYSA-N 1 0 370.453 2.423 20 30 FEEDRO COc1ccc(NC(=[NH2+])NCC[S@@](=O)Cc2ccccc2)cc1OC ZINC000267429207 550031482 /nfs/dbraw/zinc/03/14/82/550031482.db2.gz MFFSDFSZZRMXCO-RUZDIDTESA-N 1 0 361.467 2.379 20 30 FEEDRO Cc1ccc(N(CCC#N)C(=O)CN2CCC3(CNC(=O)C3)CC2)cc1C ZINC000267719583 550034367 /nfs/dbraw/zinc/03/43/67/550034367.db2.gz YISDSRGFQPIOEG-UHFFFAOYSA-N 1 0 368.481 2.152 20 30 FEEDRO COc1cc(/C=C/C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)ccc1OCC#N ZINC000268221152 550037888 /nfs/dbraw/zinc/03/78/88/550037888.db2.gz LYCZXGGHCOYYJF-YDCQGFNMSA-N 1 0 355.438 2.210 20 30 FEEDRO COc1ccc(CCNC(=[NH2+])NCCc2ccc(Cl)nc2)cc1OC ZINC000268339721 550052118 /nfs/dbraw/zinc/05/21/18/550052118.db2.gz ADLRFWBOAXADBI-UHFFFAOYSA-N 1 0 362.861 2.442 20 30 FEEDRO CCN1CC[NH+](C[C@H](C)CNC(=O)NC2(c3cccc(C#N)c3)CC2)CC1 ZINC000269682779 550216247 /nfs/dbraw/zinc/21/62/47/550216247.db2.gz NBMBZMKFBSPYAT-QGZVFWFLSA-N 1 0 369.513 2.120 20 30 FEEDRO COc1ccc(CCNC(=[NH2+])N[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)cc1OC ZINC000269918293 550236163 /nfs/dbraw/zinc/23/61/63/550236163.db2.gz LYIYJHBSKSZLOM-OLMNPRSZSA-N 1 0 359.470 2.108 20 30 FEEDRO N#Cc1cccc(N2CCC(C(=O)NCCC[NH+]3CCCCC3)CC2)n1 ZINC000270034209 550244728 /nfs/dbraw/zinc/24/47/28/550244728.db2.gz HNYKVVHLOHWBNH-UHFFFAOYSA-N 1 0 355.486 2.162 20 30 FEEDRO C#CC[C@@H](NC(=O)NCc1ccc(N2CCOCC2)nc1)c1ccccc1 ZINC000270100853 550249311 /nfs/dbraw/zinc/24/93/11/550249311.db2.gz FGUDJXGMYAIOBM-LJQANCHMSA-N 1 0 364.449 2.482 20 30 FEEDRO C#CC[C@@H](NC(=O)NC[C@H](C)C[NH+]1CCN(CC)CC1)c1ccccc1 ZINC000270478416 550275942 /nfs/dbraw/zinc/27/59/42/550275942.db2.gz WFMNZWNDEOLZNT-AZUAARDMSA-N 1 0 356.514 2.324 20 30 FEEDRO COc1ccccc1[C@H](C)[NH2+]CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1 ZINC000271622872 550390627 /nfs/dbraw/zinc/39/06/27/550390627.db2.gz FLGIXLOBWLIPII-WMZOPIPTSA-N 1 0 358.486 2.038 20 30 FEEDRO C#CC[C@@H]([NH2+]CC(=O)NC1CCN(C(=O)OCC)CC1)c1ccccc1 ZINC000271647156 550392343 /nfs/dbraw/zinc/39/23/43/550392343.db2.gz AIYYFMKOUJIEHZ-GOSISDBHSA-N 1 0 357.454 2.078 20 30 FEEDRO C[C@H]([NH2+]C[C@](O)(c1nccn1C)C(F)(F)F)c1ccc(OCC#N)cc1 ZINC000272144844 550425411 /nfs/dbraw/zinc/42/54/11/550425411.db2.gz UCHAALCRNWGCOR-LRDDRELGSA-N 1 0 368.359 2.423 20 30 FEEDRO C[N@@H+]1CC[C@@H]2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3C#N)[C@@H]2C1 ZINC000272405827 550444623 /nfs/dbraw/zinc/44/46/23/550444623.db2.gz KPWKEPLLETVURK-BXUZGUMPSA-N 1 0 373.400 2.292 20 30 FEEDRO COCCOc1ccc(C#N)cc1NC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000273072521 550483659 /nfs/dbraw/zinc/48/36/59/550483659.db2.gz AFUKHNABMQHALL-WBVHZDCISA-N 1 0 358.442 2.332 20 30 FEEDRO C[C@H](NCC(=O)NCc1ccc(C#N)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000273314703 550493936 /nfs/dbraw/zinc/49/39/36/550493936.db2.gz VGUOPGHVZMPHJC-LPHOPBHVSA-N 1 0 354.498 2.417 20 30 FEEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH2+][C@H](C)c1cnn(C)c1 ZINC000273439745 550498541 /nfs/dbraw/zinc/49/85/41/550498541.db2.gz ZFYONFQHUVLREY-CABCVRRESA-N 1 0 355.442 2.415 20 30 FEEDRO CS[C@H]1CN(C(=O)Cc2ccc(OCC#N)cc2)C[C@@H]1[NH+]1CCCC1 ZINC000273573040 550503671 /nfs/dbraw/zinc/50/36/71/550503671.db2.gz ZUBNYFGMSFQBGD-ROUUACIJSA-N 1 0 359.495 2.170 20 30 FEEDRO C#CCN(C(=O)N[C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)C1CC1 ZINC000274054311 550521193 /nfs/dbraw/zinc/52/11/93/550521193.db2.gz CNZKRVJCPQWMPB-OAHLLOKOSA-N 1 0 358.461 2.446 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)NCCCCCS(C)(=O)=O)C(C)C ZINC000274896803 550563172 /nfs/dbraw/zinc/56/31/72/550563172.db2.gz FGNZFQWUFFPLQF-KRWDZBQOSA-N 1 0 373.563 2.199 20 30 FEEDRO C[C@H](CC#N)NC(=O)C(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000276021399 550575905 /nfs/dbraw/zinc/57/59/05/550575905.db2.gz NFZYDEAMTNAOAB-MRXNPFEDSA-N 1 0 356.470 2.318 20 30 FEEDRO C=C(C)COc1cccc(NC(=O)C(=O)N[C@H](C)C2=CC[N@H+](C)CC2)c1 ZINC000276057392 550576217 /nfs/dbraw/zinc/57/62/17/550576217.db2.gz KKFVUTQYOMIAQB-OAHLLOKOSA-N 1 0 357.454 2.347 20 30 FEEDRO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@H](Cc1nc(C)no1)c1ccccc1 ZINC000277152405 550637448 /nfs/dbraw/zinc/63/74/48/550637448.db2.gz JQVPEIOPFRDSJJ-WMLDXEAASA-N 1 0 355.442 2.260 20 30 FEEDRO Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC000277411755 550667395 /nfs/dbraw/zinc/66/73/95/550667395.db2.gz ZJGZHMMHIVIRLQ-KRWDZBQOSA-N 1 0 368.485 2.093 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)NC[C@]2(Cc3ccc(F)cc3)CCC[C@@H]2O)CC1 ZINC000277582450 550687589 /nfs/dbraw/zinc/68/75/89/550687589.db2.gz OOVUDJBSNZKXLD-RBBKRZOGSA-N 1 0 372.484 2.361 20 30 FEEDRO CC[C@H](C)NC(=O)[C@H](C)[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000278650768 550807843 /nfs/dbraw/zinc/80/78/43/550807843.db2.gz MKLNXSNSSYOHKA-GJZGRUSLSA-N 1 0 354.458 2.252 20 30 FEEDRO CN(C)[C@]1(C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)CCSC1 ZINC000278719877 550814721 /nfs/dbraw/zinc/81/47/21/550814721.db2.gz STVWVCOAWKNNPU-IBGZPJMESA-N 1 0 370.526 2.386 20 30 FEEDRO CC1(C)C[C@H]([NH2+]CCNC(=O)C2N=CC=CC2=O)c2cc([N+](=O)[O-])ccc21 ZINC000279036468 550849308 /nfs/dbraw/zinc/84/93/08/550849308.db2.gz IYDJQCXLIKHAEZ-DVEDPGPFSA-N 1 0 370.409 2.433 20 30 FEEDRO COC[C@H]([NH2+][C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)[C@@H]1CCCO1 ZINC000279083274 550853220 /nfs/dbraw/zinc/85/32/20/550853220.db2.gz OHOYSCOAHMCOCE-JLSDUUJJSA-N 1 0 363.433 2.244 20 30 FEEDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000279369196 550882128 /nfs/dbraw/zinc/88/21/28/550882128.db2.gz IPQYVNOTINOPFC-CQSZACIVSA-N 1 0 373.501 2.242 20 30 FEEDRO CCOCC[NH+]1CCN(Cc2cn(CCC#N)nc2-c2ccncc2)CC1 ZINC000279420530 550888255 /nfs/dbraw/zinc/88/82/55/550888255.db2.gz OXDCOKUFLLLMIJ-UHFFFAOYSA-N 1 0 368.485 2.013 20 30 FEEDRO C#CCn1ccc(CN(CC)C(=O)N[C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)n1 ZINC000279422957 550888608 /nfs/dbraw/zinc/88/86/08/550888608.db2.gz ISJQLLGPMMOJTB-FGTMMUONSA-N 1 0 359.518 2.414 20 30 FEEDRO COCCO[C@H]1CC[N@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000279482074 550895057 /nfs/dbraw/zinc/89/50/57/550895057.db2.gz WWHMJTHHXGFKHC-SFHVURJKSA-N 1 0 355.442 2.096 20 30 FEEDRO CC(=O)N1CCC[C@@H](C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)C1 ZINC000279797904 550930068 /nfs/dbraw/zinc/93/00/68/550930068.db2.gz NBMBMNSIRMKFDB-FQEVSTJZSA-N 1 0 354.498 2.371 20 30 FEEDRO Cc1oc(C#N)cc1C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000280618883 551014021 /nfs/dbraw/zinc/01/40/21/551014021.db2.gz KUSHTXJGGBAHAZ-UHFFFAOYSA-N 1 0 353.422 2.346 20 30 FEEDRO CNC(=O)[C@@]1(C)CC[N@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000280705965 551023527 /nfs/dbraw/zinc/02/35/27/551023527.db2.gz HEYRDWUIJZKWMX-FQEVSTJZSA-N 1 0 352.438 2.196 20 30 FEEDRO O=c1nc(C2CC[NH+](CC#Cc3ccc(C(F)(F)F)cc3)CC2)[nH][nH]1 ZINC000280710754 551023857 /nfs/dbraw/zinc/02/38/57/551023857.db2.gz BGOMJWWEWMFPTM-UHFFFAOYSA-N 1 0 350.344 2.348 20 30 FEEDRO N#Cc1ccc(C[C@H](C#N)C(=O)NCC2([NH+]3CCCC3)CCOCC2)cc1 ZINC000280960562 551049478 /nfs/dbraw/zinc/04/94/78/551049478.db2.gz QZJKPTJUSFUJNN-LJQANCHMSA-N 1 0 366.465 2.002 20 30 FEEDRO Cc1oc(C#N)cc1C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000280991529 551052388 /nfs/dbraw/zinc/05/23/88/551052388.db2.gz JTRGITCTDKDVLJ-SFHVURJKSA-N 1 0 353.422 2.481 20 30 FEEDRO Cc1oc(C#N)cc1C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000280991526 551052430 /nfs/dbraw/zinc/05/24/30/551052430.db2.gz JTRGITCTDKDVLJ-GOSISDBHSA-N 1 0 353.422 2.481 20 30 FEEDRO CCCN(CC[NH+](C)C)C(=O)[C@H]1CCCN(c2nc(C)ccc2C#N)C1 ZINC000496246409 561493253 /nfs/dbraw/zinc/49/32/53/561493253.db2.gz SPEFGMIPKULCMW-SFHVURJKSA-N 1 0 357.502 2.278 20 30 FEEDRO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000281311882 551083568 /nfs/dbraw/zinc/08/35/68/551083568.db2.gz ILFJASLFTCUFDL-WOJBJXKFSA-N 1 0 357.498 2.145 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCC[C@@H]2[C@@H]2CCCC[C@@H]2O)cc1 ZINC000281534159 551109813 /nfs/dbraw/zinc/10/98/13/551109813.db2.gz WKRRNYDAOVGVLV-OTWHNJEPSA-N 1 0 362.495 2.347 20 30 FEEDRO COc1cc(C[NH2+]Cc2ccc(N3CCO[C@@H](C)C3)nc2)ccc1C#N ZINC000281627105 551122654 /nfs/dbraw/zinc/12/26/54/551122654.db2.gz HZHJDCCBDBQVJQ-HNNXBMFYSA-N 1 0 352.438 2.477 20 30 FEEDRO CC[C@H]([NH2+]CCCC1(C#N)CCOCC1)c1cccc(S(N)(=O)=O)c1 ZINC000281927834 551158764 /nfs/dbraw/zinc/15/87/64/551158764.db2.gz HTJRJGTWVODAOS-KRWDZBQOSA-N 1 0 365.499 2.475 20 30 FEEDRO C=CCn1c(-c2cccnc2)nnc1N1CC[NH+](CC2CCOCC2)CC1 ZINC000282142013 551186199 /nfs/dbraw/zinc/18/61/99/551186199.db2.gz BOOFKNKCGLYPDS-UHFFFAOYSA-N 1 0 368.485 2.075 20 30 FEEDRO C=CCn1c(C(=O)NC(CC)CC)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC000282286325 551206639 /nfs/dbraw/zinc/20/66/39/551206639.db2.gz NMIOJWIWKUTYKU-UHFFFAOYSA-N 1 0 362.522 2.349 20 30 FEEDRO COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@H](C)[N@@H+]2CCC(=O)Nc2ccccc2C#N)O1 ZINC000282348783 551215187 /nfs/dbraw/zinc/21/51/87/551215187.db2.gz CLQRKYMBYDMHLX-LIRZEXBASA-N 1 0 371.437 2.070 20 30 FEEDRO C=CCn1c(COc2ccc(OC)cc2)nnc1N1CCN(C2CC2)CC1 ZINC000282351201 551215478 /nfs/dbraw/zinc/21/54/78/551215478.db2.gz SISOGWCWAMQDNT-UHFFFAOYSA-N 1 0 369.469 2.336 20 30 FEEDRO N#CC1CCC(CNC(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)CC1 ZINC000282573068 551247585 /nfs/dbraw/zinc/24/75/85/551247585.db2.gz DESPQCCDUXTZKH-LBXVMSDZSA-N 1 0 370.497 2.382 20 30 FEEDRO CN1CCN(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)C[C@@H]1C#N ZINC000282895312 551282642 /nfs/dbraw/zinc/28/26/42/551282642.db2.gz XOXNMTOBTNPTPD-RBUKOAKNSA-N 1 0 369.513 2.136 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)NCc2ccc(Cl)cc2Cl)CC1 ZINC000283285052 551342148 /nfs/dbraw/zinc/34/21/48/551342148.db2.gz LAIMXEJDDZTOQL-UHFFFAOYSA-N 1 0 370.280 2.376 20 30 FEEDRO C=C(C)Cn1c(-c2cccn2C)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC000283342107 551350523 /nfs/dbraw/zinc/35/05/23/551350523.db2.gz RNEMALBTQZKCJL-UHFFFAOYSA-N 1 0 370.501 2.161 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H](C)c2cc3ccccc3o2)CC1 ZINC000283448167 551367522 /nfs/dbraw/zinc/36/75/22/551367522.db2.gz KGBNQRRKNHRLIG-CQSZACIVSA-N 1 0 355.438 2.377 20 30 FEEDRO C[C@@H](NC(=O)C(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C)c1ccc(C#N)cc1 ZINC000283534110 551383157 /nfs/dbraw/zinc/38/31/57/551383157.db2.gz DKSOICIYUBEUAK-QAPCUYQASA-N 1 0 356.470 2.068 20 30 FEEDRO C[C@@H]1C[NH+](CC2CCN(c3cc(N)c([N+](=O)[O-])c(C#N)c3)CC2)C[C@@H](C)O1 ZINC000283722917 551416267 /nfs/dbraw/zinc/41/62/67/551416267.db2.gz GNYSSJXQDYZIPI-ZIAGYGMSSA-N 1 0 373.457 2.374 20 30 FEEDRO CC(C)N(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000283803056 551429757 /nfs/dbraw/zinc/42/97/57/551429757.db2.gz AVFGNDMHUXLFHO-MOPGFXCFSA-N 1 0 368.481 2.038 20 30 FEEDRO CC[NH+](CC)[C@@H](CNC(=O)C(=O)NCCCCC#N)c1cccc(OC)c1 ZINC000283884326 551443794 /nfs/dbraw/zinc/44/37/94/551443794.db2.gz DCWOVCGMGKTKFX-SFHVURJKSA-N 1 0 374.485 2.004 20 30 FEEDRO CC(C)N(Cc1ccc(C#N)cc1)C(=O)C(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000283990846 551463478 /nfs/dbraw/zinc/46/34/78/551463478.db2.gz JHJGEHDEJXXVJV-QGZVFWFLSA-N 1 0 370.497 2.143 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H](CC)c2ccc(OC)cc2)CC1 ZINC000284171603 551497793 /nfs/dbraw/zinc/49/77/93/551497793.db2.gz NWKUWBKVIRJWQA-GOSISDBHSA-N 1 0 359.470 2.029 20 30 FEEDRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)C(=O)N(C)Cc2ccc(C#N)cc2)C1 ZINC000284416097 551544349 /nfs/dbraw/zinc/54/43/49/551544349.db2.gz XPBHMCOQQPVICM-IRXDYDNUSA-N 1 0 370.497 2.001 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@H]1CCCC1(C)C ZINC000498525652 561526890 /nfs/dbraw/zinc/52/68/90/561526890.db2.gz LDAKOQNLIBZERQ-SFHVURJKSA-N 1 0 370.497 2.143 20 30 FEEDRO C=CCN1C(=O)c2ccc(C(=O)N3C[C@H](C)[N@H+](CC)C[C@@H]3C)cc2C1=O ZINC000498585446 561529717 /nfs/dbraw/zinc/52/97/17/561529717.db2.gz STRXPQFQBUHJQW-KBPBESRZSA-N 1 0 355.438 2.023 20 30 FEEDRO C=CCN1C(=O)c2ccc(C(=O)N3C[C@H](C)[N@H+](CC)C[C@H]3C)cc2C1=O ZINC000498585448 561529724 /nfs/dbraw/zinc/52/97/24/561529724.db2.gz STRXPQFQBUHJQW-UONOGXRCSA-N 1 0 355.438 2.023 20 30 FEEDRO C[N@@H+]1CCN(CC(=O)NCc2ccc(C#N)cc2)C[C@@H]1Cc1ccccc1 ZINC000284927222 551669488 /nfs/dbraw/zinc/66/94/88/551669488.db2.gz YCLIZPRTVVMSHG-NRFANRHFSA-N 1 0 362.477 2.033 20 30 FEEDRO C[NH+]1CCN(c2ccc(CNC(=O)c3cc(C#N)ccc3Cl)cn2)CC1 ZINC000285421366 551753623 /nfs/dbraw/zinc/75/36/23/551753623.db2.gz KYUKSOMYALBLSE-UHFFFAOYSA-N 1 0 369.856 2.288 20 30 FEEDRO CN(CCC[N@H+](C)Cc1ccco1)S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000285463834 551760234 /nfs/dbraw/zinc/76/02/34/551760234.db2.gz NGARCCGXONWXON-UHFFFAOYSA-N 1 0 365.430 2.433 20 30 FEEDRO C[C@](C#N)(NC(=O)C[N@@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21)C1CC1 ZINC000286189077 551858942 /nfs/dbraw/zinc/85/89/42/551858942.db2.gz XLCAFJCSVRAORF-ANTGDGSKSA-N 1 0 353.466 2.299 20 30 FEEDRO COCC[NH+](CCOC)C1CCN(c2ccc(Cl)c(C#N)n2)CC1 ZINC000286214978 551862315 /nfs/dbraw/zinc/86/23/15/551862315.db2.gz BSKGFBXXTQHNCU-UHFFFAOYSA-N 1 0 352.866 2.170 20 30 FEEDRO C[C@@H]1C[C@H](N(C)C(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)CC[N@@H+]1C ZINC000286321926 551874195 /nfs/dbraw/zinc/87/41/95/551874195.db2.gz QAYSBBIERAPKKM-HYVNUMGLSA-N 1 0 358.461 2.465 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2c3cccc(F)c3CC[C@H]2C)CC1 ZINC000286367062 551879525 /nfs/dbraw/zinc/87/95/25/551879525.db2.gz CERXXQCOLCMYFT-KUHUBIRLSA-N 1 0 373.472 2.332 20 30 FEEDRO C=CC[NH+]1CCC(NCc2ncc(I)s2)CC1 ZINC000286386029 551881851 /nfs/dbraw/zinc/88/18/51/551881851.db2.gz GUMNETNXODPYRA-UHFFFAOYSA-N 1 0 363.268 2.488 20 30 FEEDRO C=CCN1CC[C@H]([NH2+][C@](C)(CO)c2ccc(Br)cc2)C1=O ZINC000286420323 551884606 /nfs/dbraw/zinc/88/46/06/551884606.db2.gz IHLZYZALTVTDAG-GOEBONIOSA-N 1 0 353.260 2.033 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N(C)Cc2cccc(OC(C)C)c2)CC1 ZINC000286505539 551893890 /nfs/dbraw/zinc/89/38/90/551893890.db2.gz KQODWGIUOHEUDX-UHFFFAOYSA-N 1 0 373.497 2.199 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCCc2cc(C)cc(C)c2)CC1 ZINC000286508266 551894353 /nfs/dbraw/zinc/89/43/53/551894353.db2.gz KUGSUNRQASBFPZ-UHFFFAOYSA-N 1 0 357.498 2.119 20 30 FEEDRO CN(Cc1cccc(C#N)c1)C(=O)C(=O)NCCCCC[NH+]1CCCCC1 ZINC000286655752 551911134 /nfs/dbraw/zinc/91/11/34/551911134.db2.gz AFBPDZOFGOQZTO-UHFFFAOYSA-N 1 0 370.497 2.289 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H](C)[C@H](C)c2ccccc2)CC1 ZINC000286661589 551912019 /nfs/dbraw/zinc/91/20/19/551912019.db2.gz NXCGVWMKDATEIR-DLBZAZTESA-N 1 0 357.498 2.452 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(C)C[C@@H](C)c2ccccc2)CC1 ZINC000286719909 551918478 /nfs/dbraw/zinc/91/84/78/551918478.db2.gz QWVIPLXPETZSLT-QGZVFWFLSA-N 1 0 357.498 2.405 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H]2c2cccc(C)c2)CC1 ZINC000286803048 551927557 /nfs/dbraw/zinc/92/75/57/551927557.db2.gz VBJNJYVKVCXWKV-IBGZPJMESA-N 1 0 355.482 2.425 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N(C)Cc2ccc(Cl)c(F)c2)CC1 ZINC000286853177 551933485 /nfs/dbraw/zinc/93/34/85/551933485.db2.gz YYTYGXYVICAHMN-UHFFFAOYSA-N 1 0 367.852 2.204 20 30 FEEDRO C=CCN(CC=C)C(=O)C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000287018011 551952351 /nfs/dbraw/zinc/95/23/51/551952351.db2.gz JNUSAHBCUUPTDI-MRXNPFEDSA-N 1 0 361.511 2.277 20 30 FEEDRO N#Cc1cccnc1N1CC[NH+](C[C@@H](O)Cc2cccc(Cl)c2)CC1 ZINC000287281911 551984782 /nfs/dbraw/zinc/98/47/82/551984782.db2.gz LUFFNCLZFVSPEK-SFHVURJKSA-N 1 0 356.857 2.332 20 30 FEEDRO C=CCOc1ccccc1CNC(=O)C(=O)NCCC1CC[NH+](CC)CC1 ZINC000287354712 551993686 /nfs/dbraw/zinc/99/36/86/551993686.db2.gz PHPCMESGQGEGTN-UHFFFAOYSA-N 1 0 373.497 2.106 20 30 FEEDRO CCOC(=O)CC(C)(C)CC[N@@H+]1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000287756740 552042729 /nfs/dbraw/zinc/04/27/29/552042729.db2.gz LZGVPRIGOINSSE-HNNXBMFYSA-N 1 0 359.474 2.228 20 30 FEEDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC000288187114 552106617 /nfs/dbraw/zinc/10/66/17/552106617.db2.gz BFTPKKAHFRAIAP-DLBZAZTESA-N 1 0 358.461 2.324 20 30 FEEDRO C[NH+](C)CCCOc1cnccc1CNC(=O)c1ccccc1OCC#N ZINC000288780185 552211352 /nfs/dbraw/zinc/21/13/52/552211352.db2.gz WIGKZPYRRMRWHC-UHFFFAOYSA-N 1 0 368.437 2.244 20 30 FEEDRO C=CCN1CC[C@H]([N@H+](C)C[C@@H](O)COc2c(Cl)cccc2Cl)C1=O ZINC000499989555 561563590 /nfs/dbraw/zinc/56/35/90/561563590.db2.gz TZLAXEAMRPKJFN-DOMZBBRYSA-N 1 0 373.280 2.452 20 30 FEEDRO C=CCCCN(C)C(=O)C(=O)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000289034039 552255898 /nfs/dbraw/zinc/25/58/98/552255898.db2.gz GFJVEVUNBNXHRW-HKUYNNGSSA-N 1 0 357.498 2.438 20 30 FEEDRO CS(=O)(=O)NC[C@@H]1CCC[C@H]1[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000500506556 561575346 /nfs/dbraw/zinc/57/53/46/561575346.db2.gz DLHWSINXODONFZ-FUHWJXTLSA-N 1 0 365.499 2.177 20 30 FEEDRO C=CCN(Cc1ccccc1)C(=O)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000290152004 552435239 /nfs/dbraw/zinc/43/52/39/552435239.db2.gz IVJTVFOUERBJMP-UHFFFAOYSA-N 1 0 355.482 2.192 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)Nc1cc(C2CC2)n(C)n1)C(C)C ZINC000290346779 552464302 /nfs/dbraw/zinc/46/43/02/552464302.db2.gz YAGNZYSSXVDFAV-KRWDZBQOSA-N 1 0 373.501 2.051 20 30 FEEDRO COc1ccc(CCNC(=[NH2+])NC[C@]2(CO)C[C@@H]2c2ccccc2)cc1 ZINC000290486853 552487084 /nfs/dbraw/zinc/48/70/84/552487084.db2.gz GNJCAPPTGUJIJE-CTNGQTDRSA-N 1 0 353.466 2.308 20 30 FEEDRO CC[NH+]1CCC(CCNS(=O)(=O)Cc2cc(C#N)ccc2F)CC1 ZINC000500941896 561586187 /nfs/dbraw/zinc/58/61/87/561586187.db2.gz WREHMHJESLVRKK-UHFFFAOYSA-N 1 0 353.463 2.239 20 30 FEEDRO C=C(C)Cn1c(SC[C@@H](O)C[N@@H+](C)C2CC2)nnc1-c1ccncc1 ZINC000290728552 552527300 /nfs/dbraw/zinc/52/73/00/552527300.db2.gz FSIQGPHTUAFKHT-INIZCTEOSA-N 1 0 359.499 2.463 20 30 FEEDRO C[C@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1ccc(Br)nc1 ZINC000290856559 552550512 /nfs/dbraw/zinc/55/05/12/552550512.db2.gz ZXEIWDOGKVVBLC-PQJBRBTKSA-N 1 0 365.231 2.021 20 30 FEEDRO COCC[C@H]1COCC[N@@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000291310989 552613389 /nfs/dbraw/zinc/61/33/89/552613389.db2.gz SWWGZCOYHMAXBH-HNNXBMFYSA-N 1 0 351.834 2.278 20 30 FEEDRO CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000291742706 552657195 /nfs/dbraw/zinc/65/71/95/552657195.db2.gz YWBNVAMASZNZKF-DLBZAZTESA-N 1 0 359.474 2.092 20 30 FEEDRO C[C@@H](CNC(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1)C[NH+]1CCCCC1 ZINC000291989011 552682008 /nfs/dbraw/zinc/68/20/08/552682008.db2.gz QLKIJSKFSGPBOL-WMZOPIPTSA-N 1 0 371.485 2.238 20 30 FEEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292195765 552703285 /nfs/dbraw/zinc/70/32/85/552703285.db2.gz RTXQMHXCAMAZKG-LAUBAEHRSA-N 1 0 370.497 2.358 20 30 FEEDRO CC(C)[N@H+](CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2)CC(N)=O ZINC000292717227 552752204 /nfs/dbraw/zinc/75/22/04/552752204.db2.gz RUMOWFKZYZWKCQ-LBPRGKRZSA-N 1 0 362.499 2.269 20 30 FEEDRO CC(C)[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)C1(CO)CCC1 ZINC000293238671 552802064 /nfs/dbraw/zinc/80/20/64/552802064.db2.gz YULKXLNNVISGPO-QGZVFWFLSA-N 1 0 350.484 2.109 20 30 FEEDRO C=CCN(CCC#N)C(=O)C(=O)Nc1ccc(OCC[NH+](CC)CC)cc1 ZINC000293246519 552802902 /nfs/dbraw/zinc/80/29/02/552802902.db2.gz RSGQLIXRFZHVIF-UHFFFAOYSA-N 1 0 372.469 2.274 20 30 FEEDRO C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc(OC(C)C)c(Cl)c1 ZINC000293483570 552828252 /nfs/dbraw/zinc/82/82/52/552828252.db2.gz VVUVRMLNIQAERV-UHFFFAOYSA-N 1 0 365.861 2.137 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000293892169 552865404 /nfs/dbraw/zinc/86/54/04/552865404.db2.gz DPCAGYBUVDCUAP-UHFFFAOYSA-N 1 0 361.445 2.226 20 30 FEEDRO C=CCOc1ccc(C(=O)N2CCO[C@@H]3CC[N@@H+](CC)C[C@@H]32)cc1OC ZINC000294005875 552874734 /nfs/dbraw/zinc/87/47/34/552874734.db2.gz XXZWWPSTBQOHQK-DLBZAZTESA-N 1 0 360.454 2.195 20 30 FEEDRO C=CCOc1ccc(CC(=O)NCCC[NH+]2CCC(C(=O)OC)CC2)cc1 ZINC000294388787 552902105 /nfs/dbraw/zinc/90/21/05/552902105.db2.gz HUBKYXZPLXFERK-UHFFFAOYSA-N 1 0 374.481 2.185 20 30 FEEDRO CC[C@@H](CO)[N@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 ZINC000295689769 553044775 /nfs/dbraw/zinc/04/47/75/553044775.db2.gz LLHXWRFVXUZCAA-HNNXBMFYSA-N 1 0 358.442 2.259 20 30 FEEDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000502834266 561626904 /nfs/dbraw/zinc/62/69/04/561626904.db2.gz RFLZGEXKQSIRBM-ZNMIVQPWSA-N 1 0 374.510 2.381 20 30 FEEDRO CNC(=O)[C@H]1CCC[C@H]1[NH2+]CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000502850947 561627631 /nfs/dbraw/zinc/62/76/31/561627631.db2.gz BVDVNESQKZGLJX-DLBZAZTESA-N 1 0 356.470 2.054 20 30 FEEDRO C=CCN(CC=C)C(=O)C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000297505093 553301627 /nfs/dbraw/zinc/30/16/27/553301627.db2.gz LSUOETLFHJTQQB-LJQANCHMSA-N 1 0 355.482 2.168 20 30 FEEDRO CCOC(=O)c1ncn(C2CC[NH+](CC#Cc3ccccc3)CC2)c1N ZINC000297579443 553311288 /nfs/dbraw/zinc/31/12/88/553311288.db2.gz IIOIWBIJDLVDEZ-UHFFFAOYSA-N 1 0 352.438 2.331 20 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N#Cc1cccc(NC(=O)CC[N@@H+]2CC[C@H](C(F)(F)F)[C@H](CO)C2)c1 ZINC000511630232 561875409 /nfs/dbraw/zinc/87/54/09/561875409.db2.gz RZAMGLQIGXBBMQ-ZFWWWQNUSA-N 1 0 355.360 2.380 20 30 FEEDRO N#C[C@H]1CN(C(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)CCN1C1CC1 ZINC000362983764 555004981 /nfs/dbraw/zinc/00/49/81/555004981.db2.gz KPENPRPXBDAAGT-PMACEKPBSA-N 1 0 367.497 2.205 20 30 FEEDRO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCC[C@@H](C(=O)NC2CCCCC2)C1 ZINC000363045839 555017502 /nfs/dbraw/zinc/01/75/02/555017502.db2.gz PBSIZYIELFRIOV-IAGOWNOFSA-N 1 0 362.518 2.155 20 30 FEEDRO N#Cc1ccc(CCC(=O)N2CCC(CC[NH+]3CCOCC3)CC2)cc1 ZINC000363626341 555150036 /nfs/dbraw/zinc/15/00/36/555150036.db2.gz AOWWTHWFJJEPNE-UHFFFAOYSA-N 1 0 355.482 2.452 20 30 FEEDRO C[C@H](Oc1ccc(C#N)cc1)C(=O)N(C)C1CC[NH+](C2CCOCC2)CC1 ZINC000363657780 555157183 /nfs/dbraw/zinc/15/71/83/555157183.db2.gz GIXBCWINZGHHDA-INIZCTEOSA-N 1 0 371.481 2.427 20 30 FEEDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NCC#Cc1cccc(F)c1 ZINC000512185305 561895372 /nfs/dbraw/zinc/89/53/72/561895372.db2.gz OMRYIROXOLPIJK-INIZCTEOSA-N 1 0 359.445 2.072 20 30 FEEDRO CN1CC[NH+](CC2(C)CCN(c3ccc([N+](=O)[O-])c(C#N)c3)CC2)CC1 ZINC000364042190 555238823 /nfs/dbraw/zinc/23/88/23/555238823.db2.gz NNTRRYMSHXCGMF-UHFFFAOYSA-N 1 0 357.458 2.320 20 30 FEEDRO C#CCOc1ccccc1NC(=O)NC[C@H]1CCC[C@H]1[NH+]1CCOCC1 ZINC000364325484 555291672 /nfs/dbraw/zinc/29/16/72/555291672.db2.gz PZXROMMCNJQNGR-SJLPKXTDSA-N 1 0 357.454 2.321 20 30 FEEDRO CN(C(=O)C[N@@H+]1CC[C@@]2(C1)c1ccccc1NC2=O)C1(C#N)CCCCC1 ZINC000364432958 555312985 /nfs/dbraw/zinc/31/29/85/555312985.db2.gz DSLJIFCLKCPMPH-OAQYLSRUSA-N 1 0 366.465 2.267 20 30 FEEDRO Cc1nccn1-c1ccc(CNS(=O)(=O)Cc2cccc(C#N)c2)cn1 ZINC000364604585 555350911 /nfs/dbraw/zinc/35/09/11/555350911.db2.gz FDZYBSHJLXFCIJ-UHFFFAOYSA-N 1 0 367.434 2.067 20 30 FEEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH2+][C@@H]1CCO[C@@H]1C1CC1 ZINC000364615726 555353692 /nfs/dbraw/zinc/35/36/92/555353692.db2.gz GOXLVBCBXZHXTB-ZSZQSSIHSA-N 1 0 357.454 2.487 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N[C@H]2C[C@H](C(=O)OC)c3ccccc32)CC1 ZINC000364649938 555362982 /nfs/dbraw/zinc/36/29/82/555362982.db2.gz TVWWAIZNZCSAFI-ROUUACIJSA-N 1 0 357.454 2.338 20 30 FEEDRO Cc1nc(C(=O)N(C)C[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)ccc1C#N ZINC000364663363 555366459 /nfs/dbraw/zinc/36/64/59/555366459.db2.gz NDPFZTVHMJUFNR-QFBILLFUSA-N 1 0 366.469 2.150 20 30 FEEDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)[C@@H]1CCC(=O)N1Cc1cccc(C#N)c1 ZINC000364715258 555383814 /nfs/dbraw/zinc/38/38/14/555383814.db2.gz CXBVCBBDQSHVIE-LPHOPBHVSA-N 1 0 368.481 2.040 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](c2nc[nH]n2)c2ccccc2)CC1 ZINC000364755107 555394396 /nfs/dbraw/zinc/39/43/96/555394396.db2.gz AMEZUHKOAMDIKZ-QGZVFWFLSA-N 1 0 354.458 2.234 20 30 FEEDRO CCN(CCC[NH+](C)C)C(=O)Nc1cc(C)n(-c2cccc(C#N)c2)n1 ZINC000364938325 555444106 /nfs/dbraw/zinc/44/41/06/555444106.db2.gz UXMBJGWYGNWAOW-UHFFFAOYSA-N 1 0 354.458 2.858 20 30 FEEDRO C[NH+](C)CCOc1ccccc1N1CCN(C(=O)NCC(C)(C)C#N)CC1 ZINC000512917613 561919885 /nfs/dbraw/zinc/91/98/85/561919885.db2.gz JZEHSMIZYXCUDR-UHFFFAOYSA-N 1 0 373.501 2.008 20 30 FEEDRO CN1C(=O)C[C@@H]([NH2+]CC(=O)NC2(C#N)CCCCC2)[C@H]1c1ccc(F)cc1 ZINC000365192128 555506907 /nfs/dbraw/zinc/50/69/07/555506907.db2.gz VHFLVWRJPZAYED-VQIMIIECSA-N 1 0 372.444 2.030 20 30 FEEDRO CN(CCC#N)C(=O)CC[N@@H+]1CC[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C1 ZINC000365222028 555515213 /nfs/dbraw/zinc/51/52/13/555515213.db2.gz JQICTYHTJAYSKC-HZPDHXFCSA-N 1 0 364.490 2.080 20 30 FEEDRO COc1ccc(CC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)nc1 ZINC000366048874 555736776 /nfs/dbraw/zinc/73/67/76/555736776.db2.gz KFVBEMOEXYYJLP-UHFFFAOYSA-N 1 0 364.449 2.239 20 30 FEEDRO CC(C)[NH+]1CCN([C@H]2CCN(C(=O)Nc3ccc(F)c(C#N)c3)C2)CC1 ZINC000366090827 555748637 /nfs/dbraw/zinc/74/86/37/555748637.db2.gz ABOPFPOCQXFGKU-KRWDZBQOSA-N 1 0 359.449 2.330 20 30 FEEDRO C[C@H](NC(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1)C(C)(C)C[NH+](C)C ZINC000366164179 555769734 /nfs/dbraw/zinc/76/97/34/555769734.db2.gz WJFUFFKKRWVIRI-GOEBONIOSA-N 1 0 359.474 2.092 20 30 FEEDRO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N(C)C1CC[NH+](C2CCOCC2)CC1 ZINC000366676141 555906046 /nfs/dbraw/zinc/90/60/46/555906046.db2.gz DXFJCQQRJHEIHE-VQIMIIECSA-N 1 0 365.518 2.252 20 30 FEEDRO N#CCCn1ccc(=NC(=O)NCC[NH+]2CCC3(CCCCC3)CC2)[nH]1 ZINC000366928065 555972991 /nfs/dbraw/zinc/97/29/91/555972991.db2.gz PVCQWJOAAOWREM-UHFFFAOYSA-N 1 0 358.490 2.965 20 30 FEEDRO Cc1nc2ccccn2c(=O)c1CC[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000367699644 556117783 /nfs/dbraw/zinc/11/77/83/556117783.db2.gz IBPYUOYWSXIFND-UHFFFAOYSA-N 1 0 373.460 2.498 20 30 FEEDRO N#Cc1cc(S(=O)(=O)N2CC[C@]3(CCC[C@H]3[NH3+])C2)ccc1C(F)(F)F ZINC000367702413 556118430 /nfs/dbraw/zinc/11/84/30/556118430.db2.gz CNDLOYIMRGMWGH-HUUCEWRRSA-N 1 0 373.400 2.469 20 30 FEEDRO C[C@H](NC(=O)C(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C)c1ccc(C#N)cc1 ZINC000514875638 561984624 /nfs/dbraw/zinc/98/46/24/561984624.db2.gz KONKEJPAYYOQIY-OAGGEKHMSA-N 1 0 356.470 2.115 20 30 FEEDRO C=CCn1c(C(=O)NC(CC)CC)nnc1N1C[C@H](C)[N@H+](CC)C[C@@H]1C ZINC000514894126 561985265 /nfs/dbraw/zinc/98/52/65/561985265.db2.gz UWFYWJVLWRIOLT-GJZGRUSLSA-N 1 0 362.522 2.301 20 30 FEEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000367823193 556147686 /nfs/dbraw/zinc/14/76/86/556147686.db2.gz CWMASHXMKVUVBH-QAPCUYQASA-N 1 0 357.502 2.431 20 30 FEEDRO C[C@H](CNC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)[NH+]1CCCC1 ZINC000514991893 561990583 /nfs/dbraw/zinc/99/05/83/561990583.db2.gz LWAVPXMLLLVTFW-HIFRSBDPSA-N 1 0 374.872 2.165 20 30 FEEDRO Cc1ccc2ncc(C#N)c(N3CCC([N@@H+]4CCC[C@@H]4C(N)=O)CC3)c2c1 ZINC000368147767 556230553 /nfs/dbraw/zinc/23/05/53/556230553.db2.gz IJYQSDDPTAAOKL-LJQANCHMSA-N 1 0 363.465 2.333 20 30 FEEDRO C#CCOc1ccc(C(=O)N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)cc1 ZINC000368225806 556252828 /nfs/dbraw/zinc/25/28/28/556252828.db2.gz XWPWGTMTMQGKHK-UHFFFAOYSA-N 1 0 369.509 2.188 20 30 FEEDRO CN(CCC#N)C[C@@H](O)C[NH2+]Cc1ccnc(Oc2ccccc2F)c1 ZINC000515166163 561998599 /nfs/dbraw/zinc/99/85/99/561998599.db2.gz CCNBHPZGDIQVPJ-INIZCTEOSA-N 1 0 358.417 2.309 20 30 FEEDRO Cc1noc(C)c1CO[C@@H]1CC[N@H+](C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000368853073 556429823 /nfs/dbraw/zinc/42/98/23/556429823.db2.gz ICDKJLXGAUAJGA-IEBWSBKVSA-N 1 0 371.437 2.194 20 30 FEEDRO COCCC[N@@H+]1CCCN(C(=O)CSCc2ccc(C#N)cc2)CC1 ZINC000368858743 556431278 /nfs/dbraw/zinc/43/12/78/556431278.db2.gz IPHVDKCBQYSIGW-UHFFFAOYSA-N 1 0 361.511 2.362 20 30 FEEDRO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)[C@H]1CCCCNC1=O ZINC000368891369 556440349 /nfs/dbraw/zinc/44/03/49/556440349.db2.gz DBQGATORWVBOAG-HNNXBMFYSA-N 1 0 374.510 2.428 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCCC[C@H]2CN2CCCC2=O)CC1 ZINC000369200077 556533741 /nfs/dbraw/zinc/53/37/41/556533741.db2.gz DMISFOGCYGHAMP-SFHVURJKSA-N 1 0 362.518 2.213 20 30 FEEDRO C=CCOc1ccccc1CNC(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000369372559 556583557 /nfs/dbraw/zinc/58/35/57/556583557.db2.gz JZVRRBUBYUNKDW-GOSISDBHSA-N 1 0 372.513 2.219 20 30 FEEDRO CC(=O)N1CCCCC[C@@H]1C1CC[NH+]([C@@H](C)C(=O)N(C)CCC#N)CC1 ZINC000369515078 556616622 /nfs/dbraw/zinc/61/66/22/556616622.db2.gz GWCCTVRYMZUUAU-QFBILLFUSA-N 1 0 362.518 2.250 20 30 FEEDRO C=CCNC(=O)NC(=O)[C@H](C)[N@H+](C)C[C@@H]1CCCc2sc(C)nc21 ZINC000369556390 556630041 /nfs/dbraw/zinc/63/00/41/556630041.db2.gz LTZWGUOGMFQYNH-AAEUAGOBSA-N 1 0 350.488 2.204 20 30 FEEDRO C[N@@H+]1C[C@@H]2CN(S(=O)(=O)c3ccc(C#N)cc3)C[C@@H]2[C@@H]1c1ccccc1 ZINC000369677305 556665837 /nfs/dbraw/zinc/66/58/37/556665837.db2.gz DVGMLZXGUHUZMJ-HOJAQTOUSA-N 1 0 367.474 2.482 20 30 FEEDRO N#Cc1ccc(OC2CN(C(=O)NCC3CC[NH+](C4CC4)CC3)C2)cc1 ZINC000369803691 556699766 /nfs/dbraw/zinc/69/97/66/556699766.db2.gz CFLBBWCVQFBSAT-UHFFFAOYSA-N 1 0 354.454 2.205 20 30 FEEDRO COc1cc(C#N)ccc1OCC[NH+]1CCC(CN2CCCC2=O)CC1 ZINC000369809363 556701029 /nfs/dbraw/zinc/70/10/29/556701029.db2.gz BTMLLURBGLPFEI-UHFFFAOYSA-N 1 0 357.454 2.280 20 30 FEEDRO CCN(C[C@@H](C)C#N)S(=O)(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000370005309 556755844 /nfs/dbraw/zinc/75/58/44/556755844.db2.gz HROFGLPISDTHRT-INIZCTEOSA-N 1 0 370.563 2.347 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)[C@]23CCC(=O)N2c2ccccc2S3)CC1 ZINC000370017841 556758960 /nfs/dbraw/zinc/75/89/60/556758960.db2.gz KZJXXUOAQZJYNZ-HXUWFJFHSA-N 1 0 369.490 2.219 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)[C@H]2CCCN2C(=O)Nc2ccccc2)CC1 ZINC000370019021 556759315 /nfs/dbraw/zinc/75/93/15/556759315.db2.gz OCFAULJMJLXRAF-LJQANCHMSA-N 1 0 368.481 2.287 20 30 FEEDRO C[NH+](C)C[C@@H]1CN(C(=O)COc2ccccc2C#N)c2ccccc2O1 ZINC000370503317 556892576 /nfs/dbraw/zinc/89/25/76/556892576.db2.gz RGMFTRHWBSPOLX-MRXNPFEDSA-N 1 0 351.406 2.293 20 30 FEEDRO N#Cc1cccc(OCCC[N@H+]2CCCN(C(=O)[C@H]3CCCO3)CC2)c1 ZINC000370564924 556910119 /nfs/dbraw/zinc/91/01/19/556910119.db2.gz DKFVKSHDJPHNSQ-LJQANCHMSA-N 1 0 357.454 2.040 20 30 FEEDRO CC(C)(C)CC(=O)N1CC[C@H]2CN(CC(=O)Nc3ccc(C#N)cc3)C[C@H]21 ZINC000370794102 556970564 /nfs/dbraw/zinc/97/05/64/556970564.db2.gz ALRLOEZGCPZJER-FUHWJXTLSA-N 1 0 368.481 2.466 20 30 FEEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@H]2CCN(c3ccccc3C(N)=O)C2)cc1 ZINC000370831449 556983515 /nfs/dbraw/zinc/98/35/15/556983515.db2.gz VAUDSPTWYIRBFT-WBVHZDCISA-N 1 0 364.449 2.445 20 30 FEEDRO C=CCOc1cccc(NC(=O)N2CC[NH+]([C@H]3CCNC(=O)CC3)CC2)c1 ZINC000517013211 562071001 /nfs/dbraw/zinc/07/10/01/562071001.db2.gz YFEHLHOUNRVTFE-QGZVFWFLSA-N 1 0 372.469 2.070 20 30 FEEDRO Cn1cc([C@@H]2[C@H](CNC(=O)c3ccccc3OCC#N)CCC[N@@H+]2C)cn1 ZINC000370914679 557013540 /nfs/dbraw/zinc/01/35/40/557013540.db2.gz YWOMZFWURXFYCY-KXBFYZLASA-N 1 0 367.453 2.135 20 30 FEEDRO Cc1cn2c(n1)[C@@H](CNC(=O)C(=O)Nc1cccc(C)c1C#N)CCC2 ZINC000370933796 557021650 /nfs/dbraw/zinc/02/16/50/557021650.db2.gz WMOBPJOTGCPRPS-CQSZACIVSA-N 1 0 351.410 2.004 20 30 FEEDRO Cc1ncc(C[N@@H+]2CC[C@H](NC(=O)C3(C#N)CCOCC3)[C@H](C)C2)s1 ZINC000370960504 557028501 /nfs/dbraw/zinc/02/85/01/557028501.db2.gz GTFSFGGPMVTZAS-CJNGLKHVSA-N 1 0 362.499 2.099 20 30 FEEDRO CN(CCC#N)C[C@@H](O)C[NH2+][C@@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000517145911 562077387 /nfs/dbraw/zinc/07/73/87/562077387.db2.gz SPHPEJRDZCVDES-BBRMVZONSA-N 1 0 360.285 2.213 20 30 FEEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000371228720 557113254 /nfs/dbraw/zinc/11/32/54/557113254.db2.gz HRZHPFAUQQIFFM-YJBOKZPZSA-N 1 0 356.470 2.199 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)Nc2nc(CC(=O)OCC)cs2)CC1 ZINC000517383184 562087793 /nfs/dbraw/zinc/08/77/93/562087793.db2.gz IYADEXIUCOLYCQ-UHFFFAOYSA-N 1 0 352.460 2.021 20 30 FEEDRO CC1(C)C(=O)N[C@@H]1C1CC[NH+](CCC(=O)Nc2ccccc2C#N)CC1 ZINC000517583294 562093106 /nfs/dbraw/zinc/09/31/06/562093106.db2.gz IYHVSWSHSLCYOG-GOSISDBHSA-N 1 0 354.454 2.123 20 30 FEEDRO Cn1cc([C@H]2[C@H](CNC(=O)c3c(F)cc(C#N)cc3F)CCC[N@@H+]2C)cn1 ZINC000371897222 557323561 /nfs/dbraw/zinc/32/35/61/557323561.db2.gz KMXHRTLKDPSYLC-SCLBCKFNSA-N 1 0 373.407 2.383 20 30 FEEDRO N#Cc1ccc(O[C@H]2CCN(C(=O)NC3CC([NH+]4CCCCC4)C3)C2)nc1 ZINC000519056452 562124191 /nfs/dbraw/zinc/12/41/91/562124191.db2.gz BIGXQPXKLSXOBQ-ABHNRTSZSA-N 1 0 369.469 2.133 20 30 FEEDRO Cc1cc(NC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)nn1-c1cccc(C#N)c1 ZINC000372378219 557454963 /nfs/dbraw/zinc/45/49/63/557454963.db2.gz PVRSQTRDHLEUSL-YOEHRIQHSA-N 1 0 366.469 2.999 20 30 FEEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000372553485 557502661 /nfs/dbraw/zinc/50/26/61/557502661.db2.gz PVTVXBQMEULBPE-UHFFFAOYSA-N 1 0 356.470 2.295 20 30 FEEDRO N#Cc1ccc(C(=O)NCC(=O)N2CCC[C@@H]2C[NH+]2CCCCCC2)cc1 ZINC000372572824 557508683 /nfs/dbraw/zinc/50/86/83/557508683.db2.gz RAOSIFPWYABJMZ-LJQANCHMSA-N 1 0 368.481 2.155 20 30 FEEDRO N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCCN(c3ncccc3F)CC2)cc1 ZINC000372609675 557519955 /nfs/dbraw/zinc/51/99/55/557519955.db2.gz AHQPOSYQUZKVJP-KRWDZBQOSA-N 1 0 370.428 2.044 20 30 FEEDRO CN(C)C(=O)c1c[nH]nc1[C@@H]1CCC[N@H+](CCOc2cccc(C#N)c2)C1 ZINC000372612071 557521150 /nfs/dbraw/zinc/52/11/50/557521150.db2.gz JUEUFWGSHBRLLW-MRXNPFEDSA-N 1 0 367.453 2.242 20 30 FEEDRO N#Cc1c(F)ccc(C[NH2+]C[C@@]2(N3CCOCC3)CCCOC2)c1Cl ZINC000373030436 557613364 /nfs/dbraw/zinc/61/33/64/557613364.db2.gz WETPQDIWPCQQSK-SFHVURJKSA-N 1 0 367.852 2.322 20 30 FEEDRO C=CCN1C(=O)c2ccc(C(=O)N3CCC[N@@H+](C(C)(C)C)CC3)cc2C1=O ZINC000520150394 562149680 /nfs/dbraw/zinc/14/96/80/562149680.db2.gz PMECAKOWMDGXGU-UHFFFAOYSA-N 1 0 369.465 2.415 20 30 FEEDRO COc1ccc2c(c1)[C@@H]([NH3+])CCN2S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000373181659 557645250 /nfs/dbraw/zinc/64/52/50/557645250.db2.gz VHZXSUJISGZNSW-INIZCTEOSA-N 1 0 361.398 2.305 20 30 FEEDRO C=C(C)[C@H]1OCCC[C@H]1C(=O)N1CCC([NH+]2CCN(C(C)C)CC2)CC1 ZINC000373271700 557662749 /nfs/dbraw/zinc/66/27/49/557662749.db2.gz QYKPKTSPPVFBJM-WOJBJXKFSA-N 1 0 363.546 2.375 20 30 FEEDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)[C@H]2CCC(=O)N2Cc2cccc(C#N)c2)C1 ZINC000373695834 557740568 /nfs/dbraw/zinc/74/05/68/557740568.db2.gz JYGWOEUNQLIGHA-GUDVDZBRSA-N 1 0 368.481 2.038 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000520472640 562157275 /nfs/dbraw/zinc/15/72/75/562157275.db2.gz PMHXISSBBQHXKT-UHFFFAOYSA-N 1 0 350.532 2.473 20 30 FEEDRO CC(C)[NH+]1CCC(NC(=O)[C@@H]2CCC(=O)N2Cc2cccc(C#N)c2)CC1 ZINC000373758726 557753418 /nfs/dbraw/zinc/75/34/18/557753418.db2.gz RQCSMCFBXWSKTD-IBGZPJMESA-N 1 0 368.481 2.038 20 30 FEEDRO C=C(C)[C@H]1OCC[C@H]1CNC(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000373837109 557770227 /nfs/dbraw/zinc/77/02/27/557770227.db2.gz VWLXFJYUULKWOF-RBUKOAKNSA-N 1 0 365.518 2.112 20 30 FEEDRO C[C@@H]1COCCN1CCNC(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000520572292 562159329 /nfs/dbraw/zinc/15/93/29/562159329.db2.gz SYHXWPDVMWNWRW-LLVKDONJSA-N 1 0 354.357 2.002 20 30 FEEDRO Cc1oc(C#N)cc1C(=O)N(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000373863568 557775876 /nfs/dbraw/zinc/77/58/76/557775876.db2.gz SDOFAYFROAOASR-FQEVSTJZSA-N 1 0 353.422 2.169 20 30 FEEDRO CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1CCC(=O)Nc1ccccc1C#N ZINC000373965096 557797906 /nfs/dbraw/zinc/79/79/06/557797906.db2.gz MNYXBGYLVYYTJH-RTBURBONSA-N 1 0 354.454 2.362 20 30 FEEDRO Cc1ccc(C(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cnn(C)c2)cc1C#N ZINC000374134865 557829679 /nfs/dbraw/zinc/82/96/79/557829679.db2.gz ATAWHGQWLQIVEH-APWZRJJASA-N 1 0 351.454 2.413 20 30 FEEDRO N#Cc1cc(S(=O)(=O)N2CC[C@H]([NH+]3CCCC3)C2)ccc1C(F)(F)F ZINC000374446709 557885291 /nfs/dbraw/zinc/88/52/91/557885291.db2.gz MDBZKRLIUGZLOW-ZDUSSCGKSA-N 1 0 373.400 2.436 20 30 FEEDRO CCCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000521217020 562172022 /nfs/dbraw/zinc/17/20/22/562172022.db2.gz HSSISJFZLHAEPW-QXAKKESOSA-N 1 0 373.497 2.315 20 30 FEEDRO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCCNC(=O)[C@H]1CC(C)C ZINC000521279086 562173446 /nfs/dbraw/zinc/17/34/46/562173446.db2.gz YQXYARROKKGEGD-RTBURBONSA-N 1 0 360.498 2.391 20 30 FEEDRO C[NH+]1CCC(Oc2ccc(CNC(=O)c3ccc(C#N)nc3)cc2)CC1 ZINC000375331828 558010363 /nfs/dbraw/zinc/01/03/63/558010363.db2.gz AAIRKCDCWPTKMO-UHFFFAOYSA-N 1 0 350.422 2.356 20 30 FEEDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000375635780 558060318 /nfs/dbraw/zinc/06/03/18/558060318.db2.gz GTXVDUGEUZBBJY-GXTWGEPZSA-N 1 0 353.875 2.459 20 30 FEEDRO COC(=O)C[C@@H]1CC[C@H]([NH2+]C2CCN(c3ccc(C#N)cn3)CC2)[C@@H]1C ZINC000375675150 558066030 /nfs/dbraw/zinc/06/60/30/558066030.db2.gz CVXFYBMSTKNJSM-HFTRVMKXSA-N 1 0 356.470 2.489 20 30 FEEDRO C[C@@H](C#N)Oc1ccc(C[NH2+][C@@H]2CCCN(S(=O)(=O)C3CC3)C2)cc1 ZINC000375770449 558079426 /nfs/dbraw/zinc/07/94/26/558079426.db2.gz UCVATNZYRKRKLU-GOEBONIOSA-N 1 0 363.483 2.024 20 30 FEEDRO N#Cc1ncn(C2CC[NH+](Cc3cnn(Cc4ccc(F)cc4)c3)CC2)n1 ZINC000376012566 558113543 /nfs/dbraw/zinc/11/35/43/558113543.db2.gz DFUYMMVRVHQYHU-UHFFFAOYSA-N 1 0 365.416 2.371 20 30 FEEDRO COc1ccc(C[N@@H+]2CCC[C@@H](c3n[nH]cc3C(=O)N(C)C)C2)cc1C#N ZINC000376252342 558148120 /nfs/dbraw/zinc/14/81/20/558148120.db2.gz HNUQUOUDSIGBMP-OAHLLOKOSA-N 1 0 367.453 2.371 20 30 FEEDRO C#CCOc1ccccc1NC(=O)N1CCC[C@H]1C[N@H+]1CCC[C@@H]1CO ZINC000376333221 558159210 /nfs/dbraw/zinc/15/92/10/558159210.db2.gz MZJBKIQINLHFMW-DLBZAZTESA-N 1 0 357.454 2.152 20 30 FEEDRO C#CCOc1ccccc1NC(=O)N1CCC[C@@H]1C[N@H+]1CCC[C@H]1CO ZINC000376333228 558159245 /nfs/dbraw/zinc/15/92/45/558159245.db2.gz MZJBKIQINLHFMW-SJORKVTESA-N 1 0 357.454 2.152 20 30 FEEDRO N#Cc1ccc(OC2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)CC2)c(F)c1 ZINC000376420459 558170822 /nfs/dbraw/zinc/17/08/22/558170822.db2.gz LFUGXFANETZADM-KRWDZBQOSA-N 1 0 357.429 2.409 20 30 FEEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)N1CC[C@H]([NH+]2CCCC2)[C@H]1C ZINC000376525381 558185745 /nfs/dbraw/zinc/18/57/45/558185745.db2.gz DNQYLLMJCBRACM-MJGOQNOKSA-N 1 0 357.502 2.431 20 30 FEEDRO COCCN(CCc1ccccc1)CC(=O)NCc1ccc(C#N)cc1 ZINC000521859892 562184982 /nfs/dbraw/zinc/18/49/82/562184982.db2.gz XWJNXBWLKRTOGR-UHFFFAOYSA-N 1 0 351.450 2.366 20 30 FEEDRO C=C(CNC(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1)c1ccccc1 ZINC000377006633 558250903 /nfs/dbraw/zinc/25/09/03/558250903.db2.gz SFGMHRLJPNTMJW-ICSRJNTNSA-N 1 0 356.514 2.367 20 30 FEEDRO CN(C(=O)[C@@H]1CC12CC[NH+](C[C@@H](O)c1ccc(C#N)cc1)CC2)C1CC1 ZINC000377184630 558283742 /nfs/dbraw/zinc/28/37/42/558283742.db2.gz NDPSPYZRQWJLCK-RBUKOAKNSA-N 1 0 353.466 2.315 20 30 FEEDRO C#CC[C@H](Cc1ccccc1)NC(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000377239772 558296174 /nfs/dbraw/zinc/29/61/74/558296174.db2.gz RJXOZAWZLVHPFM-NHCUHLMSSA-N 1 0 368.525 2.042 20 30 FEEDRO Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N(CC[NH+](C)C)C3CC3)C2)n1 ZINC000377305224 558310736 /nfs/dbraw/zinc/31/07/36/558310736.db2.gz COAXFRLLYXNDSM-QGZVFWFLSA-N 1 0 355.486 2.031 20 30 FEEDRO CCc1nc(CN2C[C@@H]3C[NH+](Cc4ccc(C#N)cc4F)C[C@H]3C2)no1 ZINC000377431375 558339453 /nfs/dbraw/zinc/33/94/53/558339453.db2.gz HXNUQXWGZVUGPS-HOTGVXAUSA-N 1 0 355.417 2.207 20 30 FEEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CC[C@H](CC(N)=O)C2)c1 ZINC000377490133 558350040 /nfs/dbraw/zinc/35/00/40/558350040.db2.gz KQOOTEAOBSILOR-DLBZAZTESA-N 1 0 356.470 2.136 20 30 FEEDRO C[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2cccc(C#N)c2)[C@H]1c1cccs1 ZINC000377758141 558413340 /nfs/dbraw/zinc/41/33/40/558413340.db2.gz BIJKNKFDYRSMCU-PBHICJAKSA-N 1 0 368.462 2.367 20 30 FEEDRO N#Cc1cc(Cl)ccc1S(=O)(=O)N1C[C@H]2[C@H](C1)C[N@@H+]1CCCC[C@@H]21 ZINC000377844180 558433966 /nfs/dbraw/zinc/43/39/66/558433966.db2.gz KIWVYJWUUCBWPH-BPUTZDHNSA-N 1 0 365.886 2.316 20 30 FEEDRO C#Cc1ccccc1CC(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC000377939122 558449224 /nfs/dbraw/zinc/44/92/24/558449224.db2.gz JFAINZVBHOHYAC-WIYYLYMNSA-N 1 0 350.466 2.143 20 30 FEEDRO Cn1c(Cl)cnc1CN1CCC[N@H+](C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000378136919 558488635 /nfs/dbraw/zinc/48/86/35/558488635.db2.gz CQGVRCOPANAIRQ-KRWDZBQOSA-N 1 0 373.888 2.186 20 30 FEEDRO C[NH+](C)C[C@@H]1CN(CC(=O)NC2(C#N)CCCCC2)c2ccccc2O1 ZINC000378157283 558493051 /nfs/dbraw/zinc/49/30/51/558493051.db2.gz FRCMESRLGQWIIP-MRXNPFEDSA-N 1 0 356.470 2.158 20 30 FEEDRO Cc1c(C#N)cccc1NC(=O)C(=O)N1CCC([N@H+]2CCC[C@@H]2C)CC1 ZINC000378207438 558502717 /nfs/dbraw/zinc/50/27/17/558502717.db2.gz RHTWYOIJWARQSF-AWEZNQCLSA-N 1 0 354.454 2.281 20 30 FEEDRO N#Cc1c(Cl)cccc1S(=O)(=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000378229897 558506873 /nfs/dbraw/zinc/50/68/73/558506873.db2.gz OQBLJRYALAHQEJ-SWLSCSKDSA-N 1 0 353.875 2.364 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N2CCC[C@H]2[C@@H](O)c2ccc(OC)cc2)CC1 ZINC000378255117 558512844 /nfs/dbraw/zinc/51/28/44/558512844.db2.gz WISIIAIFHLLNCF-PMACEKPBSA-N 1 0 356.466 2.065 20 30 FEEDRO C[C@@H]1CN(C(=O)c2c(F)cc(C#N)cc2F)CCN1C1CC[NH+](C)CC1 ZINC000378366824 558540434 /nfs/dbraw/zinc/54/04/34/558540434.db2.gz PLMDSHLSWKURRJ-CYBMUJFWSA-N 1 0 362.424 2.077 20 30 FEEDRO Cc1cc(=NC(=O)N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)[nH]n1CCC#N ZINC000378510896 558572705 /nfs/dbraw/zinc/57/27/05/558572705.db2.gz JGKXZUVUESXTTG-GOSISDBHSA-N 1 0 366.469 2.843 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2CCC3(CC[NH2+]CC3)CC2)cc1Cl ZINC000391904008 558615368 /nfs/dbraw/zinc/61/53/68/558615368.db2.gz GUHGFQZLKUGDOO-UHFFFAOYSA-N 1 0 353.875 2.366 20 30 FEEDRO C[C@@]1(CNS(=O)(=O)c2cccnc2C#N)CCC[N@@H+]1Cc1ccccc1 ZINC000398114420 558626364 /nfs/dbraw/zinc/62/63/64/558626364.db2.gz TYOWRQPIMNOTTM-IBGZPJMESA-N 1 0 370.478 2.286 20 30 FEEDRO C[NH+]1CCC(C#N)(NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000523953877 562222331 /nfs/dbraw/zinc/22/23/31/562222331.db2.gz FTNCCJBCDCPSOH-UHFFFAOYSA-N 1 0 366.805 2.121 20 30 FEEDRO N#Cc1ccc(C(=O)N2CCO[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]32)nc1 ZINC000404208940 558631506 /nfs/dbraw/zinc/63/15/06/558631506.db2.gz VPDLAJRAQJWTBN-WOJBJXKFSA-N 1 0 362.433 2.069 20 30 FEEDRO C[NH+](C)C1CCN(S(=O)(=O)c2cccc(Br)c2C#N)CC1 ZINC000408114608 558647736 /nfs/dbraw/zinc/64/77/36/558647736.db2.gz YKAICDRMMPXFSY-UHFFFAOYSA-N 1 0 372.288 2.035 20 30 FEEDRO Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N[C@@H]3CC[N@H+](C)[C@@H](C)C3)C2)n1 ZINC000408288363 558664377 /nfs/dbraw/zinc/66/43/77/558664377.db2.gz XKIJDSMFHFQQST-RYQLBKOJSA-N 1 0 355.486 2.077 20 30 FEEDRO C[C@@H](O)C[N@@H+]1CCN(c2nc3c(c(C#N)c2C#N)CCCCCC3)C[C@H]1C ZINC000408332648 558667307 /nfs/dbraw/zinc/66/73/07/558667307.db2.gz YCZVEBPKQIWDAK-HZPDHXFCSA-N 1 0 367.497 2.375 20 30 FEEDRO C[C@@H](C(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1)n1cnc(C#N)n1 ZINC000409459518 558694283 /nfs/dbraw/zinc/69/42/83/558694283.db2.gz RTGPQPBHQNQWHR-HOTGVXAUSA-N 1 0 366.469 2.402 20 30 FEEDRO C[C@H](C#N)CN(C)S(=O)(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000409551522 558702586 /nfs/dbraw/zinc/70/25/86/558702586.db2.gz JGSNPGJXDHWOMQ-MRXNPFEDSA-N 1 0 356.536 2.101 20 30 FEEDRO CCN(CCC#N)S(=O)(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000410140034 558741377 /nfs/dbraw/zinc/74/13/77/558741377.db2.gz OYFOOIPUUYCGED-DLBZAZTESA-N 1 0 356.536 2.053 20 30 FEEDRO C[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)CC[N@@H+]1C ZINC000410161455 558743276 /nfs/dbraw/zinc/74/32/76/558743276.db2.gz KTNLXNGIHPVYSQ-PWSUYJOCSA-N 1 0 361.389 2.338 20 30 FEEDRO C=CCN1CC[C@@H]([N@H+](C)C[C@@H](O)COc2ccc(C(F)(F)F)cc2)C1=O ZINC000410394521 558755196 /nfs/dbraw/zinc/75/51/96/558755196.db2.gz YZJQMGBRSQWZRL-GDBMZVCRSA-N 1 0 372.387 2.164 20 30 FEEDRO C=CC[N@@H+](C)CCN(CC)[C@H](C(N)=O)c1ccc(Br)cc1 ZINC000411635117 558932860 /nfs/dbraw/zinc/93/28/60/558932860.db2.gz AWXLFEKSZWVDCZ-HNNXBMFYSA-N 1 0 354.292 2.415 20 30 FEEDRO Cc1cc(NC(=O)C(=O)Nc2cccc(C#N)c2)ccc1OCC[NH+](C)C ZINC000411667349 558939461 /nfs/dbraw/zinc/93/94/61/558939461.db2.gz BMWSDLXGTCPJJO-UHFFFAOYSA-N 1 0 366.421 2.384 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](C)C(=O)N2Cc3ccccc3C2)CC1 ZINC000525979588 562262063 /nfs/dbraw/zinc/26/20/63/562262063.db2.gz JKDLAEOFNJQFGG-INIZCTEOSA-N 1 0 370.497 2.257 20 30 FEEDRO CC(C)[N@H+](C[C@@H]1CCC(=O)N1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000412065100 559008647 /nfs/dbraw/zinc/00/86/47/559008647.db2.gz CVEYLOYKGLADMU-WMZOPIPTSA-N 1 0 354.454 2.043 20 30 FEEDRO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1cc(C#N)[nH]c1C ZINC000412650980 559048523 /nfs/dbraw/zinc/04/85/23/559048523.db2.gz CDMYXFCILSASNI-YLJYHZDGSA-N 1 0 366.465 2.462 20 30 FEEDRO C=CCCN(C)C(=O)NCc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000413830107 559133228 /nfs/dbraw/zinc/13/32/28/559133228.db2.gz DJRWLEZXOLLICP-UHFFFAOYSA-N 1 0 358.486 2.101 20 30 FEEDRO N#Cc1ccccc1COc1cccc(C[N@@H+]2CC[C@H](O)[C@@H](CO)C2)c1 ZINC000414551517 559171199 /nfs/dbraw/zinc/17/11/99/559171199.db2.gz BNIMPCQPZNETME-CTNGQTDRSA-N 1 0 352.434 2.312 20 30 FEEDRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NCC(=O)NC1(C#N)CCC1 ZINC000527049617 562274690 /nfs/dbraw/zinc/27/46/90/562274690.db2.gz GCTCEYZGDRJNKR-IAGOWNOFSA-N 1 0 354.498 2.295 20 30 FEEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCCO[C@@H](C[NH3+])C2)cc1 ZINC000415010902 559200557 /nfs/dbraw/zinc/20/05/57/559200557.db2.gz HJEMRSXBTDLOHI-SFHVURJKSA-N 1 0 372.469 2.082 20 30 FEEDRO C[NH2+][C@H]1CCN(C(=O)C(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)C)C3)C1 ZINC000415305298 559222597 /nfs/dbraw/zinc/22/25/97/559222597.db2.gz VFWQXTXGLSFPSH-STQMWFEESA-N 1 0 374.510 2.139 20 30 FEEDRO CC(C)[C@H]1CCc2c(C#N)c(NC(=O)C(=O)N[C@H]3CCC[NH2+]C3)sc2C1 ZINC000415312406 559223196 /nfs/dbraw/zinc/22/31/96/559223196.db2.gz GCQRGZBZOLRTBP-STQMWFEESA-N 1 0 374.510 2.187 20 30 FEEDRO C[C@H](NC(=O)C(=O)Nc1scc(C(C)(C)C)c1C#N)[C@@H]1CCC[NH2+]C1 ZINC000415353981 559226792 /nfs/dbraw/zinc/22/67/92/559226792.db2.gz RPFRKPSGJKRNHK-NWDGAFQWSA-N 1 0 362.499 2.360 20 30 FEEDRO Cc1cc(=NC(=O)N2CC[C@H](c3ccc(F)cc3)[C@@H]([NH3+])C2)[nH]n1CCC#N ZINC000415381718 559229457 /nfs/dbraw/zinc/22/94/57/559229457.db2.gz IVKRVBFZUMXXRQ-SJORKVTESA-N 1 0 370.432 2.593 20 30 FEEDRO N#Cc1ccc(F)c(CS(=O)(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)c1 ZINC000528547796 562335462 /nfs/dbraw/zinc/33/54/62/562335462.db2.gz IWUGTPFQQAQTII-MRXNPFEDSA-N 1 0 351.447 2.134 20 30 FEEDRO N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)N2CCC[C@@H](CC[NH3+])C2)n1 ZINC000415440514 559237215 /nfs/dbraw/zinc/23/72/15/559237215.db2.gz DTDAEMYEJMBWDQ-ZDUSSCGKSA-N 1 0 372.860 2.990 20 30 FEEDRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 ZINC000415443669 559237596 /nfs/dbraw/zinc/23/75/96/559237596.db2.gz FXMQLHYCJVNYJW-HNNXBMFYSA-N 1 0 358.421 2.720 20 30 FEEDRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)C1 ZINC000415447453 559238133 /nfs/dbraw/zinc/23/81/33/559238133.db2.gz HLMCANRWGNDIJN-STQMWFEESA-N 1 0 372.860 2.988 20 30 FEEDRO C[NH2+][C@H]1CCCN(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)C1 ZINC000415447519 559238142 /nfs/dbraw/zinc/23/81/42/559238142.db2.gz HQDKXSLUODOICK-AWEZNQCLSA-N 1 0 358.833 2.613 20 30 FEEDRO C[C@]1(C[NH3+])CCN(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)C1 ZINC000415459773 559239411 /nfs/dbraw/zinc/23/94/11/559239411.db2.gz MYPOVGKPHFWWQQ-QGZVFWFLSA-N 1 0 358.833 2.600 20 30 FEEDRO COCCOc1ccc(C#N)cc1NC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000415463090 559239907 /nfs/dbraw/zinc/23/99/07/559239907.db2.gz IYMLTICQGRZAMA-JYJNAYRXSA-N 1 0 358.442 2.175 20 30 FEEDRO C[C@@H]1CN(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)[C@H](C)C[NH2+]1 ZINC000415465017 559240013 /nfs/dbraw/zinc/24/00/13/559240013.db2.gz SAUFEKHFXLUGTR-VXGBXAGGSA-N 1 0 358.833 2.611 20 30 FEEDRO C[C@H]([NH3+])[C@H]1CCN(C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)C1 ZINC000415468775 559240521 /nfs/dbraw/zinc/24/05/21/559240521.db2.gz WVYOXWSNPONODE-AAEUAGOBSA-N 1 0 358.833 2.598 20 30 FEEDRO CCC([NH3+])(CC)CNC(=O)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 ZINC000415474441 559241342 /nfs/dbraw/zinc/24/13/42/559241342.db2.gz KVSFLYVPOUEHRM-UHFFFAOYSA-N 1 0 372.347 2.029 20 30 FEEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000415477645 559241473 /nfs/dbraw/zinc/24/14/73/559241473.db2.gz BOVVIGPJOQBBFP-CYBMUJFWSA-N 1 0 362.499 2.320 20 30 FEEDRO CCC[NH2+]CCNC(=O)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000415519899 559245999 /nfs/dbraw/zinc/24/59/99/559245999.db2.gz QJJVZLITHVVKID-UHFFFAOYSA-N 1 0 366.421 2.405 20 30 FEEDRO C=CCOc1cccc(NC(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)c1 ZINC000415532001 559247144 /nfs/dbraw/zinc/24/71/44/559247144.db2.gz ZBSYTFARPKRCMA-SFHVURJKSA-N 1 0 357.454 2.181 20 30 FEEDRO O=C(Nc1cccc(C#Cc2ccccc2)c1)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000415591788 559253511 /nfs/dbraw/zinc/25/35/11/559253511.db2.gz IAAZGSSOZCSAHC-HSZRJFAPSA-N 1 0 373.456 2.237 20 30 FEEDRO CC(C)[C@H]1CCc2c(C#N)c(NC(=O)C(=O)N(C)C3CC([NH3+])C3)sc2C1 ZINC000415783748 559270633 /nfs/dbraw/zinc/27/06/33/559270633.db2.gz DCQZHJUYKWCHGF-HIFPTAJRSA-N 1 0 374.510 2.267 20 30 FEEDRO C=C(C)COc1cccc(NC(=O)C(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000415814184 559274281 /nfs/dbraw/zinc/27/42/81/559274281.db2.gz CXMCQMMYLURSSR-SJORKVTESA-N 1 0 371.481 2.428 20 30 FEEDRO N#Cc1ccc(NC(=O)C(=O)N[C@H](C[NH3+])C2CCCC2)cc1C(F)(F)F ZINC000415838575 559277101 /nfs/dbraw/zinc/27/71/01/559277101.db2.gz LNMOKFJSCKVMKO-CQSZACIVSA-N 1 0 368.359 2.149 20 30 FEEDRO Cc1c(C#N)cccc1NC(=O)C(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000415861026 559279287 /nfs/dbraw/zinc/27/92/87/559279287.db2.gz PHFRLJGBPOTPSD-UHFFFAOYSA-N 1 0 366.465 2.075 20 30 FEEDRO C[NH2+]Cc1ccc(NC(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1 ZINC000415987249 559287186 /nfs/dbraw/zinc/28/71/86/559287186.db2.gz WWGKBDAAZUKKAS-KRWDZBQOSA-N 1 0 351.410 2.358 20 30 FEEDRO C[NH+](C)[C@@H](CC(=O)N1CCN(c2cccc(C#N)n2)CC1)c1ccccc1 ZINC000416207556 559298364 /nfs/dbraw/zinc/29/83/64/559298364.db2.gz WFXATAUXQBVYGN-IBGZPJMESA-N 1 0 363.465 2.295 20 30 FEEDRO O=C(NCC#Cc1cccc(C(F)(F)F)c1)N[C@H]1C[NH2+]CCC1(F)F ZINC000416938621 559339229 /nfs/dbraw/zinc/33/92/29/559339229.db2.gz BIBLTAKFDXQRCN-ZDUSSCGKSA-N 1 0 361.314 2.353 20 30 FEEDRO N#Cc1ccc(N2CCC[C@H](NC(=O)N[C@H]3CCC[C@@H]3C[NH3+])C2)c(F)c1 ZINC000417581306 559367774 /nfs/dbraw/zinc/36/77/74/559367774.db2.gz SKXDQMIVRLPMBL-VYDXJSESSA-N 1 0 359.449 2.093 20 30 FEEDRO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000417581061 559367834 /nfs/dbraw/zinc/36/78/34/559367834.db2.gz SBWKQZJTMDUXST-JLJPHGGASA-N 1 0 359.449 2.106 20 30 FEEDRO CC(C)C[C@H](C[NH3+])NC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000417583962 559367874 /nfs/dbraw/zinc/36/78/74/559367874.db2.gz XEZVFQZSOAQVTB-JKSUJKDBSA-N 1 0 361.465 2.339 20 30 FEEDRO C[C@@H]1CN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)[C@@H](C)C[NH2+]1 ZINC000417583888 559367953 /nfs/dbraw/zinc/36/79/53/559367953.db2.gz WZLHWUXACUPGGH-YCPHGPKFSA-N 1 0 359.449 2.058 20 30 FEEDRO C=CCOc1ccc(CNC(=O)NC2CCC(N3CC[NH2+]CC3)CC2)cc1 ZINC000418167136 559392653 /nfs/dbraw/zinc/39/26/53/559392653.db2.gz LWQVTGXMXHZOQK-UHFFFAOYSA-N 1 0 372.513 2.267 20 30 FEEDRO N#CCCC[C@@H](NC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1)c1ccccc1 ZINC000418209995 559394019 /nfs/dbraw/zinc/39/40/19/559394019.db2.gz GDNOVJSAKLECJB-RBUKOAKNSA-N 1 0 355.486 2.111 20 30 FEEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)NCCCN1CC[NH2+]CC1 ZINC000418296881 559396746 /nfs/dbraw/zinc/39/67/46/559396746.db2.gz JWOWEIIRSLXWFN-UHFFFAOYSA-N 1 0 356.923 2.394 20 30 FEEDRO N#Cc1ccnc(N2CCN(C(=O)NCC[NH2+]C3CCCCCC3)CC2)c1 ZINC000418441060 559401731 /nfs/dbraw/zinc/40/17/31/559401731.db2.gz HUBIMOXPURUSML-UHFFFAOYSA-N 1 0 370.501 2.097 20 30 FEEDRO N#Cc1c(F)cccc1N1CCN(C(=O)NC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000418441979 559401823 /nfs/dbraw/zinc/40/18/23/559401823.db2.gz DBGGDDFFYJTFRT-GOSISDBHSA-N 1 0 367.428 2.229 20 30 FEEDRO COCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000418450242 559402234 /nfs/dbraw/zinc/40/22/34/559402234.db2.gz LIJHXKYCLUJVDV-LJQANCHMSA-N 1 0 352.438 2.416 20 30 FEEDRO COCC1(C#N)CCN(C(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)CC1 ZINC000418760135 559414525 /nfs/dbraw/zinc/41/45/25/559414525.db2.gz GUPBHQDPXKEZKT-UHFFFAOYSA-N 1 0 360.502 2.102 20 30 FEEDRO N#CCC[C@H](NC(=O)C(=O)NCC1([NH3+])CCCCCC1)c1ccccc1 ZINC000419482171 559444582 /nfs/dbraw/zinc/44/45/82/559444582.db2.gz XWYFNLGQZRIYGQ-KRWDZBQOSA-N 1 0 356.470 2.316 20 30 FEEDRO C=C(C)[C@@H](NC(=O)C(=O)N1CCC[C@H](C[NH2+]C)C1)c1ccc(F)c(F)c1 ZINC000419675864 559453341 /nfs/dbraw/zinc/45/33/41/559453341.db2.gz KTOAGPGKLXVTOY-CXAGYDPISA-N 1 0 365.424 2.156 20 30 FEEDRO C=CCC[C@@H]1NC(=O)N(Cc2ccc(CN3CC[NH+](CC)CC3)cc2)C1=O ZINC000419924049 559464723 /nfs/dbraw/zinc/46/47/23/559464723.db2.gz MNALXYZWCGVDBZ-IBGZPJMESA-N 1 0 370.497 2.211 20 30 FEEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000419965526 559466709 /nfs/dbraw/zinc/46/67/09/559466709.db2.gz JWBIIHBLXRTOTC-IBGZPJMESA-N 1 0 368.481 2.097 20 30 FEEDRO C=CCC[C@H]1NC(=O)N(Cc2ccc(C[NH+]3CCC(O)CC3)cc2)C1=O ZINC000420004844 559468559 /nfs/dbraw/zinc/46/85/59/559468559.db2.gz WAMMESCUCFHQQJ-GOSISDBHSA-N 1 0 357.454 2.030 20 30 FEEDRO CC1(C#N)CCN(C(=O)C(=O)N[C@H](C[NH3+])c2ccc3ccccc3c2)CC1 ZINC000420067494 559471037 /nfs/dbraw/zinc/47/10/37/559471037.db2.gz YHJKEEYKUVZOAC-GOSISDBHSA-N 1 0 364.449 2.108 20 30 FEEDRO Cc1ccc2c(ncc(C#N)c2NC[C@H]2C[NH2+]CCN2C)c1Br ZINC000420263034 559477983 /nfs/dbraw/zinc/47/79/83/559477983.db2.gz BJJINSFUFGQZCD-CYBMUJFWSA-N 1 0 374.286 2.493 20 30 FEEDRO CN(C[C@H]1CCC[N@@H+]1C)S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000420739207 559501547 /nfs/dbraw/zinc/50/15/47/559501547.db2.gz PGWKAVNMWQVVRA-GFCCVEGCSA-N 1 0 361.389 2.292 20 30 FEEDRO C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000420812716 559505916 /nfs/dbraw/zinc/50/59/16/559505916.db2.gz XKFCEUFMJFPCLX-SFHVURJKSA-N 1 0 357.498 2.281 20 30 FEEDRO Cc1cc(NC(=O)C(=O)NCc2ccc(C#N)s2)ccc1C[NH+](C)C ZINC000421249950 559533481 /nfs/dbraw/zinc/53/34/81/559533481.db2.gz VXYKZXMDRMXYGA-UHFFFAOYSA-N 1 0 356.451 2.245 20 30 FEEDRO C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000422071207 559563724 /nfs/dbraw/zinc/56/37/24/559563724.db2.gz MGVISYPJBIYUDN-CEXWTWQISA-N 1 0 355.482 2.033 20 30 FEEDRO C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)NCCC1CC[NH+](C)CC1 ZINC000422269300 559574536 /nfs/dbraw/zinc/57/45/36/559574536.db2.gz LUZICIIBGJDGKW-IBGZPJMESA-N 1 0 357.498 2.138 20 30 FEEDRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C(=O)NCC(C)(C)CC#N ZINC000422485936 559591205 /nfs/dbraw/zinc/59/12/05/559591205.db2.gz FCTWYBZUKJWXHP-UHFFFAOYSA-N 1 0 358.486 2.153 20 30 FEEDRO C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000422536670 559593467 /nfs/dbraw/zinc/59/34/67/559593467.db2.gz DDSLCNHCZPBYKK-QRQLOZEOSA-N 1 0 357.498 2.231 20 30 FEEDRO C[C@H]([NH2+][C@@H](C)c1cccc(N2CCCC2=O)c1)C(=O)NC1(C#N)CCC1 ZINC000527299034 562284341 /nfs/dbraw/zinc/28/43/41/562284341.db2.gz ZYHPMEJMZLNZJZ-GJZGRUSLSA-N 1 0 354.454 2.415 20 30 FEEDRO C=CCN(Cc1ccccc1)C(=O)C(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000423130782 559620292 /nfs/dbraw/zinc/62/02/92/559620292.db2.gz YZXHPWJGQVPJIH-RBUKOAKNSA-N 1 0 355.482 2.049 20 30 FEEDRO C=C[C@H]1CCCCN1C(=O)C(=O)N1CC[C@@H](c2ccc(F)cc2)[C@H]([NH3+])C1 ZINC000423553675 559631813 /nfs/dbraw/zinc/63/18/13/559631813.db2.gz DMCZUKQEWPUYBQ-OKZBNKHCSA-N 1 0 359.445 2.036 20 30 FEEDRO COc1cc(CNC(=O)[C@H]([NH3+])CCCC#N)cc(Br)c1OC ZINC000424109717 559654995 /nfs/dbraw/zinc/65/49/95/559654995.db2.gz BBGAIZDLOLDRIZ-GFCCVEGCSA-N 1 0 370.247 2.104 20 30 FEEDRO COc1ccc(C)cc1C1(CNC(=O)[C@@H]([NH3+])CCCC#N)CCOCC1 ZINC000424108683 559655030 /nfs/dbraw/zinc/65/50/30/559655030.db2.gz XVZQQPYTLPILLP-KRWDZBQOSA-N 1 0 359.470 2.189 20 30 FEEDRO CCN1CC[C@H](NC(=O)[C@H]([NH3+])CCCC#N)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000424178530 559656915 /nfs/dbraw/zinc/65/69/15/559656915.db2.gz WVXWKXIGWKOIHE-HLLBOEOZSA-N 1 0 368.403 2.377 20 30 FEEDRO C=CCC1(C(=O)NCC2([NH+]3CCCCC3)CCN(C)CC2)CCOCC1 ZINC000424679549 559673483 /nfs/dbraw/zinc/67/34/83/559673483.db2.gz BAAXFKLGANDAAR-UHFFFAOYSA-N 1 0 363.546 2.426 20 30 FEEDRO C=CCC1(C(=O)N(CCC)CCN2CC[NH+](CC)CC2)CCOCC1 ZINC000424820565 559677681 /nfs/dbraw/zinc/67/76/81/559677681.db2.gz CLWOXXIVKREIPQ-UHFFFAOYSA-N 1 0 351.535 2.235 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)CC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000424928798 559680238 /nfs/dbraw/zinc/68/02/38/559680238.db2.gz AIZNLDRQFMLHHR-ICSRJNTNSA-N 1 0 357.498 2.214 20 30 FEEDRO N#Cc1cccc([N+](=O)[O-])c1NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000425203350 559691119 /nfs/dbraw/zinc/69/11/19/559691119.db2.gz FEOMEMVVFSQOIJ-QGZVFWFLSA-N 1 0 352.394 2.298 20 30 FEEDRO C=CCn1cc(CNC(=O)N[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)nn1 ZINC000425484505 559704970 /nfs/dbraw/zinc/70/49/70/559704970.db2.gz JBZVUMRKCPMYBS-AEFFLSMTSA-N 1 0 368.485 2.174 20 30 FEEDRO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H](n3ccnn3)C2)c(OC)c1 ZINC000425497089 559705579 /nfs/dbraw/zinc/70/55/79/559705579.db2.gz BYFLOAASGLAQAZ-QZTJIDSGSA-N 1 0 372.469 2.092 20 30 FEEDRO N#Cc1cccc(NC(=O)C[NH2+][C@H](C2CCOCC2)C2(CO)CCC2)c1 ZINC000425531947 559708038 /nfs/dbraw/zinc/70/80/38/559708038.db2.gz BFSGAAFNLGBJPO-LJQANCHMSA-N 1 0 357.454 2.044 20 30 FEEDRO C[C@@H](c1cccc(C#N)c1)[N@H+](C)CCC(=O)NC(=O)NCC(F)(F)F ZINC000425531801 559708080 /nfs/dbraw/zinc/70/80/80/559708080.db2.gz ICAGNULGSGCRHP-NSHDSACASA-N 1 0 356.348 2.329 20 30 FEEDRO C[C@H](c1cccc(C#N)c1)N(C)C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000425720641 559715901 /nfs/dbraw/zinc/71/59/01/559715901.db2.gz DTDUEVBYQDYAMW-MRXNPFEDSA-N 1 0 357.502 2.287 20 30 FEEDRO N#C[C@H]1CC[C@@H](NC(=O)NCC2(O)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000425871079 559723513 /nfs/dbraw/zinc/72/35/13/559723513.db2.gz WQNAEQRYYRHYLH-ZWKOTPCHSA-N 1 0 356.470 2.005 20 30 FEEDRO C[C@H](NC(=O)C(=O)N(C)[C@@H](C)c1cccc(C#N)c1)C(C)(C)C[NH+](C)C ZINC000425877611 559723774 /nfs/dbraw/zinc/72/37/74/559723774.db2.gz CIDRPBHGWZGOJL-GJZGRUSLSA-N 1 0 358.486 2.170 20 30 FEEDRO C[C@H](CCNC(=O)C(=O)N(C)[C@@H](C)c1cccc(C#N)c1)[NH+]1CCCCC1 ZINC000425884144 559724011 /nfs/dbraw/zinc/72/40/11/559724011.db2.gz GFRVFUJOIWSAHW-SJORKVTESA-N 1 0 370.497 2.458 20 30 FEEDRO C[C@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000425910557 559725004 /nfs/dbraw/zinc/72/50/04/559725004.db2.gz WNSIXIJMVVPWFB-QAPCUYQASA-N 1 0 370.497 2.314 20 30 FEEDRO N#Cc1cnc(C(=O)NCC2([NH+]3CCCCC3)CCOCC2)c(Cl)c1 ZINC000428044405 559768328 /nfs/dbraw/zinc/76/83/28/559768328.db2.gz SXNLGFYLHWSPHV-UHFFFAOYSA-N 1 0 362.861 2.372 20 30 FEEDRO C[C@@H]1CN(C(=O)c2cccc(Nc3ccc(C#N)cc3)c2)CCN1CCO ZINC000428523727 559777184 /nfs/dbraw/zinc/77/71/84/559777184.db2.gz ROWNVZYTGZPFFL-MRXNPFEDSA-N 1 0 364.449 2.440 20 30 FEEDRO CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc(C#N)s1 ZINC000428688717 559781178 /nfs/dbraw/zinc/78/11/78/559781178.db2.gz AKKWOGVHDHXXAG-IBGZPJMESA-N 1 0 355.463 2.329 20 30 FEEDRO Cc1ccc(C)c(OC[C@@H](O)C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)c1 ZINC000428781555 559783074 /nfs/dbraw/zinc/78/30/74/559783074.db2.gz GZUKCNBMLYFUSG-OALUTQOASA-N 1 0 367.449 2.463 20 30 FEEDRO CC[C@H](C)[N@H+](C)CCNC(=O)Nc1ccc(S(=O)(=O)[C@H](C)C#N)cc1 ZINC000429926990 559808861 /nfs/dbraw/zinc/80/88/61/559808861.db2.gz BAUUICDUVTYRTF-UONOGXRCSA-N 1 0 366.487 2.224 20 30 FEEDRO N#CCC1(CNC(=O)C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)CC1 ZINC000430385844 559819187 /nfs/dbraw/zinc/81/91/87/559819187.db2.gz JSSULPQLJRDJHP-UHFFFAOYSA-N 1 0 368.481 2.464 20 30 FEEDRO C=CCN(C(=O)[C@@H]1CCC[C@@H]([NH3+])C1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000430524074 559821640 /nfs/dbraw/zinc/82/16/40/559821640.db2.gz JFRUYWJAAFMBOR-DJIMGWMZSA-N 1 0 354.458 2.255 20 30 FEEDRO C[C@@H]1C[C@H](NS(=O)(=O)c2ccc(C#N)c(Br)c2)CC[N@@H+]1C ZINC000433869692 559889199 /nfs/dbraw/zinc/88/91/99/559889199.db2.gz NCQMVPNHEUDZBO-ZYHUDNBSSA-N 1 0 372.288 2.082 20 30 FEEDRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C2(c3cccc(C#N)c3)CC2)CC1 ZINC000435018276 559914317 /nfs/dbraw/zinc/91/43/17/559914317.db2.gz BXNSTWYYIOJWOT-HXUWFJFHSA-N 1 0 366.509 2.218 20 30 FEEDRO CCC(=O)N[C@@H]1CCC[N@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000435124811 559916792 /nfs/dbraw/zinc/91/67/92/559916792.db2.gz AQYXZLDNTUKGAH-GOSISDBHSA-N 1 0 366.469 2.349 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](C)CC(=O)N1CCC(C(=O)OCC)CC1 ZINC000436304970 559939492 /nfs/dbraw/zinc/93/94/92/559939492.db2.gz GFDBLCAQYBLUAD-AYBZRNKSSA-N 1 0 366.502 2.138 20 30 FEEDRO C=C[C@@](C)(CCOC)C(=O)NCc1ccc(N2CC[NH+](CC)CC2)nc1 ZINC000438046165 559973357 /nfs/dbraw/zinc/97/33/57/559973357.db2.gz FLJZAFATZCTGJE-FQEVSTJZSA-N 1 0 360.502 2.069 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1ccc(-c2ccc[nH]2)cc1 ZINC000438761728 559983179 /nfs/dbraw/zinc/98/31/79/559983179.db2.gz CQPVBJQGRXAZOA-UHFFFAOYSA-N 1 0 367.453 2.314 20 30 FEEDRO CC(C)C[N@@H+]1CCCC[C@H]1CNS(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000438944254 559985857 /nfs/dbraw/zinc/98/58/57/559985857.db2.gz QKJIHRMGMOLPTP-HNNXBMFYSA-N 1 0 353.463 2.486 20 30 FEEDRO C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000439354703 559992662 /nfs/dbraw/zinc/99/26/62/559992662.db2.gz RYPKQIPLSNHTLO-LLVKDONJSA-N 1 0 368.359 2.068 20 30 FEEDRO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1C[C@@H]2CCC[C@@]2(C(=O)OC(C)(C)C)C1 ZINC000439469444 559994743 /nfs/dbraw/zinc/99/47/43/559994743.db2.gz AAADDBWHXBULKW-GQIGUUNPSA-N 1 0 363.502 2.438 20 30 FEEDRO CCC[NH+](CCC)CCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000443075817 560069546 /nfs/dbraw/zinc/06/95/46/560069546.db2.gz WAQYYBRYQZKPAP-UHFFFAOYSA-N 1 0 368.459 2.257 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1cc(Cl)cc(F)c1F ZINC000443338407 560081041 /nfs/dbraw/zinc/08/10/41/560081041.db2.gz ZXHAHFGKSCLDEL-UHFFFAOYSA-N 1 0 372.803 2.251 20 30 FEEDRO COCc1nc(OC)cc(N(CC[NH+](C)C)Cc2ccc(C#N)cc2)n1 ZINC000443495310 560085542 /nfs/dbraw/zinc/08/55/42/560085542.db2.gz XJKBBYFPXUBWJV-UHFFFAOYSA-N 1 0 355.442 2.071 20 30 FEEDRO Cc1cc(C[NH2+]CCOc2ccc(NS(C)(=O)=O)cc2)ccc1C#N ZINC000443985344 560098543 /nfs/dbraw/zinc/09/85/43/560098543.db2.gz GKHUMPJKQUVAJL-UHFFFAOYSA-N 1 0 359.451 2.407 20 30 FEEDRO C=CC[C@H]1[N@H+](CC(=O)c2c(N)n(CCC)c(=O)[nH]c2=O)CCCC1(C)C ZINC000444774651 560120418 /nfs/dbraw/zinc/12/04/18/560120418.db2.gz JYADLQVMOBHNAK-CQSZACIVSA-N 1 0 362.474 2.191 20 30 FEEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH2+][C@@H](CO)[C@H]2CCCO2)c1 ZINC000447915474 560172784 /nfs/dbraw/zinc/17/27/84/560172784.db2.gz RQHLZCJKIJCUNH-YTQUADARSA-N 1 0 359.470 2.068 20 30 FEEDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1 ZINC000448321750 560184037 /nfs/dbraw/zinc/18/40/37/560184037.db2.gz NPRAMKLOMLNOCF-OAHLLOKOSA-N 1 0 362.861 2.387 20 30 FEEDRO Cn1c(C#N)ccc1C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000448955340 560208587 /nfs/dbraw/zinc/20/85/87/560208587.db2.gz NCLZHGURPWDGBP-UHFFFAOYSA-N 1 0 352.438 2.301 20 30 FEEDRO C[C@@H]1C[C@H](NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC[N@@H+]1C ZINC000449942636 560245969 /nfs/dbraw/zinc/24/59/69/560245969.db2.gz UTYIZOJXAVCNBQ-VHDGCEQUSA-N 1 0 374.872 2.163 20 30 FEEDRO CN(CC[N@H+](C)C1CC1)C(=O)COc1ccc(C#N)c(Br)c1 ZINC000450693242 560270282 /nfs/dbraw/zinc/27/02/82/560270282.db2.gz BIBNMIGLTFDYOR-UHFFFAOYSA-N 1 0 366.259 2.252 20 30 FEEDRO CC(=O)N1CCC[N@H+](C[C@H]2CCCN(c3ccc(C#N)c(C)n3)C2)CC1 ZINC000450781367 560273105 /nfs/dbraw/zinc/27/31/05/560273105.db2.gz ZQRASBCOTLCZCI-GOSISDBHSA-N 1 0 355.486 2.032 20 30 FEEDRO C=CCNC(=O)NC(=O)C[NH2+]C1(c2ccc(OC(F)(F)F)cc2)CC1 ZINC000451146422 560289861 /nfs/dbraw/zinc/28/98/61/560289861.db2.gz LSXBWFKLHNCTBL-UHFFFAOYSA-N 1 0 357.332 2.176 20 30 FEEDRO C[NH+]1CCC(CCNS(=O)(=O)c2ccc(CC#N)cc2Cl)CC1 ZINC000451148039 560289946 /nfs/dbraw/zinc/28/99/46/560289946.db2.gz ONNICUZXNAPASE-UHFFFAOYSA-N 1 0 355.891 2.416 20 30 FEEDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)Cc2ccc(F)cc2C#N)C[C@H]1C ZINC000451236052 560294906 /nfs/dbraw/zinc/29/49/06/560294906.db2.gz MKIDWSUKJZIZAP-DYVFJYSZSA-N 1 0 353.463 2.332 20 30 FEEDRO Cn1c(C#N)ccc1C(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000451325782 560300212 /nfs/dbraw/zinc/30/02/12/560300212.db2.gz AOFBOAMDHLDFKC-UHFFFAOYSA-N 1 0 354.376 2.432 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]CC(=O)Nc1sc2c(c1C(=O)OCC)CCC2 ZINC000451608778 560317223 /nfs/dbraw/zinc/31/72/23/560317223.db2.gz UEESWOCOXRSFIY-OLZOCXBDSA-N 1 0 364.467 2.285 20 30 FEEDRO CC(C)[C@@](C)(C#N)NC(=O)CN1CC[N@H+](Cc2ccccc2)C[C@@H](C)C1 ZINC000451706007 560323462 /nfs/dbraw/zinc/32/34/62/560323462.db2.gz JFOKBTBWXOAHKZ-WIYYLYMNSA-N 1 0 356.514 2.495 20 30 FEEDRO C[C@@H]1CN(CC(=O)N(CCC#N)CCC#N)CC[N@H+](Cc2ccccc2)C1 ZINC000451714263 560324209 /nfs/dbraw/zinc/32/42/09/560324209.db2.gz VBGAWKMQLFKWEE-IBGZPJMESA-N 1 0 367.497 2.096 20 30 FEEDRO C[N@H+](CC(=O)NCc1ccc(C#N)cc1)C1CCN(CC(F)(F)F)CC1 ZINC000452044059 560347527 /nfs/dbraw/zinc/34/75/27/560347527.db2.gz VTPROTPAZGUOPQ-UHFFFAOYSA-N 1 0 368.403 2.133 20 30 FEEDRO N#CCCN(CCC#N)C(=O)C[NH2+][C@H](c1cccs1)C1(CO)CCC1 ZINC000452060518 560348874 /nfs/dbraw/zinc/34/88/74/560348874.db2.gz MUIXUTYGCOKKQE-QGZVFWFLSA-N 1 0 360.483 2.197 20 30 FEEDRO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+]1CC[C@@H](CCCO)C1 ZINC000452127274 560353018 /nfs/dbraw/zinc/35/30/18/560353018.db2.gz KZXPGAAAULBHPV-IAGOWNOFSA-N 1 0 359.470 2.425 20 30 FEEDRO C=C(C)Cn1c([C@H](C)OCCOC)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC000453454729 560387077 /nfs/dbraw/zinc/38/70/77/560387077.db2.gz QSAGSONDPQYMBV-KRWDZBQOSA-N 1 0 365.522 2.499 20 30 FEEDRO Cc1cc(C#N)cc(NC(=O)C(=O)NCc2cccc(C[NH+](C)C)c2)c1 ZINC000453592193 560390155 /nfs/dbraw/zinc/39/01/55/560390155.db2.gz HOYZAHBPJGGTPA-UHFFFAOYSA-N 1 0 350.422 2.183 20 30 FEEDRO CCCC[N@H+](C)CC1CCN(C(=O)C(=O)Nc2ccc(C#N)c(C)n2)CC1 ZINC000453609323 560391042 /nfs/dbraw/zinc/39/10/42/560391042.db2.gz VWYZYVHIOFFNNQ-UHFFFAOYSA-N 1 0 371.485 2.171 20 30 FEEDRO Cc1cc(C#N)cc(NC(=O)C(=O)NCc2ccc(C[NH+](C)C)c(F)c2)c1 ZINC000453700914 560397766 /nfs/dbraw/zinc/39/77/66/560397766.db2.gz WNFVNVYEMLSZTR-UHFFFAOYSA-N 1 0 368.412 2.322 20 30 FEEDRO C[C@H](NC(=O)C(=O)Nc1cccc(CC#N)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000453704794 560398131 /nfs/dbraw/zinc/39/81/31/560398131.db2.gz TXMYZMQXEGKAQD-DOTOQJQBSA-N 1 0 368.481 2.460 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N2CCC(OCCOC(C)C)CC2)CC1 ZINC000454529636 560448316 /nfs/dbraw/zinc/44/83/16/560448316.db2.gz AONDOLVCRLOEQG-UHFFFAOYSA-N 1 0 353.507 2.252 20 30 FEEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC000454570205 560449943 /nfs/dbraw/zinc/44/99/43/560449943.db2.gz DLOLSTGEFLSAII-MRXNPFEDSA-N 1 0 360.458 2.314 20 30 FEEDRO CN(c1cccnn1)C1CCN(Cc2c(C#N)cccc2[N+](=O)[O-])CC1 ZINC000459342275 560680921 /nfs/dbraw/zinc/68/09/21/560680921.db2.gz XDRLHUAMGRPNRK-UHFFFAOYSA-N 1 0 352.398 2.357 20 30 FEEDRO C[C@@H]1CN(Cc2c(C#N)cccc2[N+](=O)[O-])CCN1C1CC[NH+](C)CC1 ZINC000459376169 560683173 /nfs/dbraw/zinc/68/31/73/560683173.db2.gz QZDMPTPHUJDQIJ-OAHLLOKOSA-N 1 0 357.458 2.067 20 30 FEEDRO N#Cc1ncn(CC[NH2+]Cc2cn(C3CCCC3)nc2-c2ccccn2)n1 ZINC000459537910 560692925 /nfs/dbraw/zinc/69/29/25/560692925.db2.gz NRLLAZVRWFVMLM-UHFFFAOYSA-N 1 0 362.441 2.313 20 30 FEEDRO CON1CCC([N@H+](C)CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000459579728 560695485 /nfs/dbraw/zinc/69/54/85/560695485.db2.gz LNIZRKSAAFUMMY-UHFFFAOYSA-N 1 0 350.850 2.498 20 30 FEEDRO C[C@H](CCCc1cccnc1)[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000459634073 560698847 /nfs/dbraw/zinc/69/88/47/560698847.db2.gz HMICXDHYCXSAKO-OAHLLOKOSA-N 1 0 358.467 2.123 20 30 FEEDRO CN(CCOCc1ccc(C#N)cc1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000460133688 560735934 /nfs/dbraw/zinc/73/59/34/560735934.db2.gz YUTYTYJBWRFOLK-RTBURBONSA-N 1 0 356.470 2.343 20 30 FEEDRO CCn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000460241144 560739112 /nfs/dbraw/zinc/73/91/12/560739112.db2.gz VPXDETIKBGNVLQ-KRWDZBQOSA-N 1 0 366.469 2.422 20 30 FEEDRO C=C(C)Cn1c(COCC)nnc1N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000460369480 560742556 /nfs/dbraw/zinc/74/25/56/560742556.db2.gz JGVFGRDRAUVECV-MRXNPFEDSA-N 1 0 363.506 2.080 20 30 FEEDRO C=C(C)Cn1c([C@H]2COCCO2)nnc1N(C)C1CC[NH+](CCC)CC1 ZINC000460554403 560746113 /nfs/dbraw/zinc/74/61/13/560746113.db2.gz RMVBWUBQZPNCBX-QGZVFWFLSA-N 1 0 363.506 2.253 20 30 FEEDRO C=C(C)Cn1c(N2CC[C@@H](N3CC[NH+](CC)CC3)C2)nnc1C(C)(C)C ZINC000460944727 560756749 /nfs/dbraw/zinc/75/67/49/560756749.db2.gz SBLYHTCHFZUQFT-QGZVFWFLSA-N 1 0 360.550 2.368 20 30 FEEDRO CCCN(CCN1CC[NH+](CC)CC1)C(=O)NCC(C)(C)CCC#N ZINC000461534985 560774889 /nfs/dbraw/zinc/77/48/89/560774889.db2.gz VLNVIFPZQMNJEX-UHFFFAOYSA-N 1 0 351.539 2.375 20 30 FEEDRO COCC[N@H+](C)CCOc1cccc(CNC(=O)N[C@H]2CCC[C@@H]2C#N)c1 ZINC000461960237 560789871 /nfs/dbraw/zinc/78/98/71/560789871.db2.gz SXSKLKJVDDREBZ-MJGOQNOKSA-N 1 0 374.485 2.135 20 30 FEEDRO COCC[N@H+](C)CCCC1CCN(C(=O)N[C@H]2CCC[C@@H]2C#N)CC1 ZINC000461964897 560790060 /nfs/dbraw/zinc/79/00/60/560790060.db2.gz WMCTWISTPICAOV-MSOLQXFVSA-N 1 0 350.507 2.459 20 30 FEEDRO COc1cc(C#N)ccc1S(=O)(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000464407233 560840944 /nfs/dbraw/zinc/84/09/44/560840944.db2.gz PMDYCJULGKKIMH-ZIAGYGMSSA-N 1 0 351.472 2.108 20 30 FEEDRO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000466917229 560899122 /nfs/dbraw/zinc/89/91/22/560899122.db2.gz APZXKZLHPIASCY-FXAWDEMLSA-N 1 0 364.534 2.006 20 30 FEEDRO C=CCOc1cc(OC)ccc1C(=O)N1C[C@@H]([NH+](C)C)[C@@H](SC)C1 ZINC000468013237 560921135 /nfs/dbraw/zinc/92/11/35/560921135.db2.gz DIVMJQVBDZAOMJ-WBVHZDCISA-N 1 0 350.484 2.378 20 30 FEEDRO COC(=O)[C@@H]1CCN(CC(=O)N(CCC#N)c2cccc(C)c2C)[C@@H]1C ZINC000469855081 560966632 /nfs/dbraw/zinc/96/66/32/560966632.db2.gz UFMRUCVCHWWPRP-IAGOWNOFSA-N 1 0 357.454 2.434 20 30 FEEDRO C=CCOc1cc(OC)ccc1C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000470100787 560974318 /nfs/dbraw/zinc/97/43/18/560974318.db2.gz PLWLKOQAIFOWKQ-MRXNPFEDSA-N 1 0 362.470 2.491 20 30 FEEDRO C=CCOCCC[N@@H+]1CCC[C@@H](S(=O)(=O)N2CCc3ccccc32)C1 ZINC000470757123 560988947 /nfs/dbraw/zinc/98/89/47/560988947.db2.gz RBKDNKUMLRUYGT-GOSISDBHSA-N 1 0 364.511 2.436 20 30 FEEDRO COC1CC[NH+](C(C)(C)CNC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)CC1 ZINC000472090153 561017767 /nfs/dbraw/zinc/01/77/67/561017767.db2.gz ZDTYVZYMBDOBEA-SFHVURJKSA-N 1 0 368.481 2.246 20 30 FEEDRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)NCCOc2ccc(C#N)cc2)C1 ZINC000473015157 561040353 /nfs/dbraw/zinc/04/03/53/561040353.db2.gz QZRVZJSRYNTIOV-IBGZPJMESA-N 1 0 374.485 2.079 20 30 FEEDRO C[NH+](C)CCN(Cc1ccccc1F)S(=O)(=O)CC1(C#N)CCC1 ZINC000474597213 561078030 /nfs/dbraw/zinc/07/80/30/561078030.db2.gz USCMTYHMAZOSDH-UHFFFAOYSA-N 1 0 353.463 2.213 20 30 FEEDRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)C[C@H](CC#N)c2ccccc2)CC1 ZINC000475759415 561104489 /nfs/dbraw/zinc/10/44/89/561104489.db2.gz YLAURACRBZDFSU-SFHVURJKSA-N 1 0 370.497 2.133 20 30 FEEDRO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCSC[C@@H]1CC(=O)OC ZINC000476572427 561122938 /nfs/dbraw/zinc/12/29/38/561122938.db2.gz QFCCBZZFPCLOQQ-DLBZAZTESA-N 1 0 365.495 2.135 20 30 FEEDRO O=C1c2ccccc2C(=O)N1CC#CC[N@@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000528510632 562333221 /nfs/dbraw/zinc/33/32/21/562333221.db2.gz BSYIRTPKDPJDOG-KRWDZBQOSA-N 1 0 352.434 2.035 20 30 FEEDRO Cc1ccnc([C@H]2CC[N@H+](CC#CCN3C(=O)c4ccccc4C3=O)C2)c1 ZINC000528515844 562333354 /nfs/dbraw/zinc/33/33/54/562333354.db2.gz BDFMJBXMENKMIF-KRWDZBQOSA-N 1 0 359.429 2.479 20 30 FEEDRO O=C1c2ccccc2C(=O)N1CC#CC[N@@H+]1CCC[C@H]1[C@@H]1CCCOC1 ZINC000528534668 562334743 /nfs/dbraw/zinc/33/47/43/562334743.db2.gz CZMUMGVZXVZRNJ-APWZRJJASA-N 1 0 352.434 2.177 20 30 FEEDRO COCCc1noc(CC2CC[NH+](CCOc3ccccc3C#N)CC2)n1 ZINC000528619106 562338607 /nfs/dbraw/zinc/33/86/07/562338607.db2.gz LWENEEHUARAELO-UHFFFAOYSA-N 1 0 370.453 2.464 20 30 FEEDRO Cc1oc(NC(=O)[C@@H](C)N2CCC(C)([NH+]3CCOCC3)CC2)c(C#N)c1C ZINC000528728114 562344312 /nfs/dbraw/zinc/34/43/12/562344312.db2.gz LTHPRPIUPWALQR-OAHLLOKOSA-N 1 0 374.485 2.282 20 30 FEEDRO N#Cc1cccnc1OC1CCC(NC(=O)N[C@H]2CC[NH2+]C23CCC3)CC1 ZINC000529324656 562369599 /nfs/dbraw/zinc/36/95/99/562369599.db2.gz RMBKICFYDNBSLC-JCYILVPMSA-N 1 0 369.469 2.227 20 30 FEEDRO N#Cc1cnn2cc(C[NH2+]C3(c4ccc(C#N)cc4)CCOCC3)cnc12 ZINC000529671554 562380730 /nfs/dbraw/zinc/38/07/30/562380730.db2.gz DQRATLTZYFOCBK-UHFFFAOYSA-N 1 0 358.405 2.268 20 30 FEEDRO COc1cccc(N2CC[C@@H]([NH2+]C[C@@H](O)COc3ccccc3C#N)C2)c1 ZINC000530231299 562403050 /nfs/dbraw/zinc/40/30/50/562403050.db2.gz OBAJDAQTMHMCJT-IEBWSBKVSA-N 1 0 367.449 2.175 20 30 FEEDRO N#Cc1ccccc1OC[C@@H](O)C[NH2+][C@H]1CCCN(C2CCCCC2)C1=O ZINC000530230614 562403137 /nfs/dbraw/zinc/40/31/37/562403137.db2.gz BIOAEHLPTRUETH-OALUTQOASA-N 1 0 371.481 2.211 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cn(Cc3ccccc3)nn2)CC1 ZINC000530453611 562411834 /nfs/dbraw/zinc/41/18/34/562411834.db2.gz MMOIDEAXHHARNH-UHFFFAOYSA-N 1 0 354.458 2.488 20 30 FEEDRO C[NH+]1CCN(C[C@@H](NC(=O)c2ccc(C#N)s2)c2ccccc2)CC1 ZINC000530913923 562428393 /nfs/dbraw/zinc/42/83/93/562428393.db2.gz JNTZAPJSRZMGOI-QGZVFWFLSA-N 1 0 354.479 2.338 20 30 FEEDRO COc1cc(C[NH2+]Cc2cc(C#N)cs2)ccc1OCC(=O)N(C)C ZINC000531117387 562435193 /nfs/dbraw/zinc/43/51/93/562435193.db2.gz FZSGBJDXJBQNMU-UHFFFAOYSA-N 1 0 359.451 2.385 20 30 FEEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+](C)CC(C)(C)OC ZINC000531576040 562450579 /nfs/dbraw/zinc/45/05/79/562450579.db2.gz OYTLBFBRFIUNQI-UHFFFAOYSA-N 1 0 364.490 2.308 20 30 FEEDRO CC1CC(C#N)(C(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000531808453 562457313 /nfs/dbraw/zinc/45/73/13/562457313.db2.gz AWLHUBPDFXDLKS-UHFFFAOYSA-N 1 0 354.498 2.250 20 30 FEEDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NS(=O)(=O)c1ccc(C#N)cc1F ZINC000532108383 562467200 /nfs/dbraw/zinc/46/72/00/562467200.db2.gz OVWRRRGQJCDLPV-MGPQQGTHSA-N 1 0 353.463 2.342 20 30 FEEDRO N#Cc1ccc([C@H](C(N)=O)N2CC[NH+](CCc3cccs3)CC2)cc1 ZINC000532928783 562492699 /nfs/dbraw/zinc/49/26/99/562492699.db2.gz MHZPXSJEFZQQQU-GOSISDBHSA-N 1 0 354.479 2.006 20 30 FEEDRO CC(C)C[N@H+](CC(=O)NCC(=O)NC(C)(C)C)Cc1ccc(C#N)cc1 ZINC000532933498 562492895 /nfs/dbraw/zinc/49/28/95/562492895.db2.gz FTBCEIHUUOPDOB-UHFFFAOYSA-N 1 0 358.486 2.047 20 30 FEEDRO C=CC1CC[NH+]([C@@H](C)C(=O)NCc2ccc(CN3CCOCC3)cc2)CC1 ZINC000533423691 562508191 /nfs/dbraw/zinc/50/81/91/562508191.db2.gz SHGREOJDWRZMGQ-SFHVURJKSA-N 1 0 371.525 2.422 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(-n3ccc(C)n3)cc2)c1C#N ZINC000534056745 562524324 /nfs/dbraw/zinc/52/43/24/562524324.db2.gz JRNRJYUZGJSFKE-UHFFFAOYSA-N 1 0 363.425 2.180 20 30 FEEDRO N#Cc1ccsc1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000534917940 562545104 /nfs/dbraw/zinc/54/51/04/562545104.db2.gz YGIHJEKFWPRLEU-SJORKVTESA-N 1 0 355.463 2.233 20 30 FEEDRO N#Cc1cccc(-c2csc(NC(=O)[C@H]3C[N@@H+]4CCN3CCC4)n2)c1 ZINC000535728906 562565808 /nfs/dbraw/zinc/56/58/08/562565808.db2.gz CTJHIFFMJYYUNJ-MRXNPFEDSA-N 1 0 353.451 2.010 20 30 FEEDRO C[N@@H+]1CCC[C@H](CNC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)C1 ZINC000609470577 567826621 /nfs/dbraw/zinc/82/66/21/567826621.db2.gz BPVFMFZLHWTPIT-SJORKVTESA-N 1 0 373.476 2.307 20 30 FEEDRO CN(CCC#N)C[C@@H](O)C[NH2+][C@H]1CCCCCN(Cc2ccccc2)C1 ZINC000601970136 567890468 /nfs/dbraw/zinc/89/04/68/567890468.db2.gz YJAZOXBBRFSJLG-SFTDATJTSA-N 1 0 358.530 2.227 20 30 FEEDRO COc1cc([C@H](C#N)NC(=O)C[N@H+](C)CC(C)(C)C)cc(OC)c1OC ZINC000602089965 567923879 /nfs/dbraw/zinc/92/38/79/567923879.db2.gz ZXUMVDFXOQUCHY-AWEZNQCLSA-N 1 0 363.458 2.371 20 30 FEEDRO C[N@@H+]1CCCN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)CC1 ZINC000609471655 568010958 /nfs/dbraw/zinc/01/09/58/568010958.db2.gz OWSRQHIYZLJJOR-MRXNPFEDSA-N 1 0 359.449 2.013 20 30 FEEDRO N#CC1(NC(=O)C[N@@H+]2CCC[C@H](Cn3cnc4ccccc43)C2)CCC1 ZINC000602810749 568041985 /nfs/dbraw/zinc/04/19/85/568041985.db2.gz IOPJSMNROREYNO-INIZCTEOSA-N 1 0 351.454 2.311 20 30 FEEDRO C[NH+](C)CCCOc1ccc(NC(=O)N2CCN(CCC#N)CC2)cc1 ZINC000602830266 568047509 /nfs/dbraw/zinc/04/75/09/568047509.db2.gz BWLMBMGEIQKQDB-UHFFFAOYSA-N 1 0 359.474 2.080 20 30 FEEDRO C[NH2+][C@@H](C)c1cn(CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)nn1 ZINC000603191382 568072053 /nfs/dbraw/zinc/07/20/53/568072053.db2.gz RFNYHQNSVXXXAU-ZDUSSCGKSA-N 1 0 360.849 2.467 20 30 FEEDRO O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1)N1C[C@H]2CC[C@@H](C1)O2 ZINC000330275408 568083056 /nfs/dbraw/zinc/08/30/56/568083056.db2.gz LLRMJFKJVZIBGW-OTWHNJEPSA-N 1 0 359.470 2.055 20 30 FEEDRO CC#CC[C@@H](CO)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000603432218 568097131 /nfs/dbraw/zinc/09/71/31/568097131.db2.gz LDWHDMXHHYXPTI-LBPRGKRZSA-N 1 0 374.178 2.063 20 30 FEEDRO N#Cc1cnn2c1NC[C@@H](C[NH2+][C@@H](CO)c1c(Cl)cccc1Cl)C2 ZINC000568632310 568101034 /nfs/dbraw/zinc/10/10/34/568101034.db2.gz NAOPLFDELDBUDF-YGRLFVJLSA-N 1 0 366.252 2.426 20 30 FEEDRO COc1ccccc1O[C@H](C)C[NH2+]CCS(=O)(=O)c1cccc(C#N)c1 ZINC000568741607 568151902 /nfs/dbraw/zinc/15/19/02/568151902.db2.gz YSUHRYBAYLKNEQ-OAHLLOKOSA-N 1 0 374.462 2.398 20 30 FEEDRO N#CC1(NC(=O)C[NH+]2C[C@@H]3CN(c4ccccc4)C[C@H]3C2)CCCCC1 ZINC000603864510 568161641 /nfs/dbraw/zinc/16/16/41/568161641.db2.gz HMKMYTCOWLEWJW-QZTJIDSGSA-N 1 0 352.482 2.397 20 30 FEEDRO C=CCNC(=O)NC(=O)CN1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000604276128 568239824 /nfs/dbraw/zinc/23/98/24/568239824.db2.gz GFKMCWXOCZKJPX-DTORHVGOSA-N 1 0 361.286 2.061 20 30 FEEDRO CCCC[N@H+](C)C[C@H](C)NC(=O)c1ccc(-n2ncc(C#N)c2N)cc1 ZINC000568926021 568253050 /nfs/dbraw/zinc/25/30/50/568253050.db2.gz QIGRQFRYTRMZBW-AWEZNQCLSA-N 1 0 354.458 2.176 20 30 FEEDRO CN1CC[C@H]([NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000569037147 568277398 /nfs/dbraw/zinc/27/73/98/568277398.db2.gz JCIBYRJQWUSWRH-GBESFXJTSA-N 1 0 370.403 2.398 20 30 FEEDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCN([C@H](C#N)C(C)C)CC1 ZINC000609487118 568346602 /nfs/dbraw/zinc/34/66/02/568346602.db2.gz WXEUQQCMMAXDQH-GOSISDBHSA-N 1 0 373.457 2.398 20 30 FEEDRO CN1CC[NH+](C[C@@H](O)CNc2cccc(Oc3ccc(C#N)cc3)c2)CC1 ZINC000569475459 568401785 /nfs/dbraw/zinc/40/17/85/568401785.db2.gz HNRVRTORDSKNGZ-IBGZPJMESA-N 1 0 366.465 2.371 20 30 FEEDRO C[NH+](C)CCOc1cnccc1CNC(=O)c1cc(C#N)ccc1Cl ZINC000570612176 568490971 /nfs/dbraw/zinc/49/09/71/568490971.db2.gz PLBPCOLFDDSGBO-UHFFFAOYSA-N 1 0 358.829 2.477 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N(C)Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000735399167 598370659 /nfs/dbraw/zinc/37/06/59/598370659.db2.gz PVFFGDSTNYNJSA-UHFFFAOYSA-N 1 0 369.473 2.049 20 30 FEEDRO CS(=O)(=O)N1CCC([NH2+]Cc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000557537728 674452893 /nfs/dbraw/zinc/45/28/93/674452893.db2.gz MJPDKHHJRXWFQU-UHFFFAOYSA-N 1 0 361.389 2.091 20 30 FEEDRO C[C@@H]([NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1)C(=O)Nc1cccc(C#N)c1 ZINC000820414051 599391011 /nfs/dbraw/zinc/39/10/11/599391011.db2.gz WYEYDTXDSQGBHC-CHWSQXEVSA-N 1 0 361.409 2.416 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CCC(=O)N[C@H]2C(C)(C)C)CC1 ZINC000557845312 674470378 /nfs/dbraw/zinc/47/03/78/674470378.db2.gz YVRKCVFBPXRPIH-NVXWUHKLSA-N 1 0 350.507 2.019 20 30 FEEDRO N#Cc1ccc(OC2CC[NH+](Cc3ccnc(-c4nn[nH]n4)c3)CC2)cc1 ZINC000826385790 607496019 /nfs/dbraw/zinc/49/60/19/607496019.db2.gz AMJVMJWTIMTSHN-UHFFFAOYSA-N 1 0 361.409 2.177 20 30 FEEDRO C#CC[N@H+](CC)CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CC[C@@H](C)C2 ZINC000819702201 606074764 /nfs/dbraw/zinc/07/47/64/606074764.db2.gz SWLNWRSWKCIYOX-GFCCVEGCSA-N 1 0 372.498 2.337 20 30 FEEDRO C=CC[N@@H+](CCc1nc(C(C)=O)c(C)[nH]1)Cc1cccc(-c2nn[nH]n2)c1 ZINC000823909518 607958133 /nfs/dbraw/zinc/95/81/33/607958133.db2.gz HJQVXMJJHYVOJV-UHFFFAOYSA-N 1 0 365.441 2.332 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCCC[C@H](SCC)C2)CC1 ZINC000561450382 674667475 /nfs/dbraw/zinc/66/74/75/674667475.db2.gz HNEPEHFKUWGCQZ-KRWDZBQOSA-N 1 0 367.559 2.277 20 30 FEEDRO N#CC1(CS(=O)(=O)N2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)CCC1 ZINC000562003538 674714922 /nfs/dbraw/zinc/71/49/22/674714922.db2.gz LUIPHIOMBRZXND-HDICACEKSA-N 1 0 359.495 2.074 20 30 FEEDRO C=CCCCCNC(=O)C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000562127531 674723408 /nfs/dbraw/zinc/72/34/08/674723408.db2.gz XVXFBWXFHJLCJY-UHFFFAOYSA-N 1 0 367.559 2.327 20 30 FEEDRO CN(CCC#N)C[C@@H](O)C[NH2+][C@H]1CCCc2cc(OC(F)F)ccc21 ZINC000562986634 674831245 /nfs/dbraw/zinc/83/12/45/674831245.db2.gz HOIRQTMWKMBMOW-YOEHRIQHSA-N 1 0 353.413 2.461 20 30 FEEDRO CC(=NNS(=O)(=O)c1ccc(Br)cc1)C1CC[NH+](C)CC1 ZINC000814695510 674875530 /nfs/dbraw/zinc/87/55/30/674875530.db2.gz FSVLMDGRJQKUNS-UHFFFAOYSA-N 1 0 374.304 2.445 20 30 FEEDRO COc1ccc(CC(C)=NNC(=S)NCCC[NH+](C)C)c(C)c1OC ZINC000814845794 674883650 /nfs/dbraw/zinc/88/36/50/674883650.db2.gz WAKWPDWMDACHMD-UHFFFAOYSA-N 1 0 366.531 2.346 20 30 FEEDRO C#CCNC(=O)CC[NH2+][C@@]1(CNC(=O)OC(C)(C)C)CCCC[C@@H]1C ZINC000815069524 674911140 /nfs/dbraw/zinc/91/11/40/674911140.db2.gz CCUXZDDRMGZIBL-HNAYVOBHSA-N 1 0 351.491 2.189 20 30 FEEDRO CC(C)[C@H]1OCCC[C@@H]1C[NH2+]CCS(=O)(=O)c1cccc(C#N)c1 ZINC000564722881 675055180 /nfs/dbraw/zinc/05/51/80/675055180.db2.gz WNNVPRIQDLIGJO-SJLPKXTDSA-N 1 0 350.484 2.373 20 30 FEEDRO CN(CCC#N)C[C@@H](O)C[NH2+]Cc1cc(F)c(F)cc1Br ZINC000564869733 675070560 /nfs/dbraw/zinc/07/05/60/675070560.db2.gz GNOCLSPVZNCRPV-NSHDSACASA-N 1 0 362.218 2.023 20 30 FEEDRO C=C(C[NH+](C)C)C(=O)N1CCC2(CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000817197612 675111492 /nfs/dbraw/zinc/11/14/92/675111492.db2.gz AHDBCNWQUQNQEG-UHFFFAOYSA-N 1 0 351.491 2.354 20 30 FEEDRO C[NH+]=C(NCc1cc(Cl)c2c(c1)OCCO2)N[C@@H]1CCN(C2CC2)C1 ZINC000083093934 670654213 /nfs/dbraw/zinc/65/42/13/670654213.db2.gz QWKDLCVKYHNWET-CYBMUJFWSA-N 1 0 364.877 2.013 20 30 FEEDRO CC(C)N(C)S(=O)(=O)c1ccc(CNC(=[NH2+])N2CCC[C@H](C)C2)cc1 ZINC000104178736 670790843 /nfs/dbraw/zinc/79/08/43/670790843.db2.gz HJVIULVJNIUQGM-HNNXBMFYSA-N 1 0 366.531 2.262 20 30 FEEDRO C[C@H]1CC2(CN1S(=O)(=O)c1cccc(Cl)c1C#N)CC[NH2+]CC2 ZINC000571194398 670832951 /nfs/dbraw/zinc/83/29/51/670832951.db2.gz KLOIAIZNFKWDOG-LBPRGKRZSA-N 1 0 353.875 2.364 20 30 FEEDRO COc1ncc(C[NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)cc1Cl ZINC000571396323 670867936 /nfs/dbraw/zinc/86/79/36/670867936.db2.gz AKWSZZLAAPZJLI-OAHLLOKOSA-N 1 0 361.829 2.339 20 30 FEEDRO C[C@@H](ON=C(N)C[NH+]1CCCCCC1)C(=O)Nc1cc(F)ccc1F ZINC000113250047 670882131 /nfs/dbraw/zinc/88/21/31/670882131.db2.gz GCBLGHDXGQCEDR-GFCCVEGCSA-N 1 0 354.401 2.457 20 30 FEEDRO CC(C)CN1CCCC[C@@H]1C[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000571909903 670939565 /nfs/dbraw/zinc/93/95/65/670939565.db2.gz HWDLUTILMOYBCG-GOSISDBHSA-N 1 0 363.527 2.432 20 30 FEEDRO C#CC[N@H+]1CCC[C@H]1COC(=O)[C@H](NC(=O)OC(C)(C)C)C1CCC1 ZINC000817716605 675164513 /nfs/dbraw/zinc/16/45/13/675164513.db2.gz OWBZQUWQVKNCRG-JKSUJKDBSA-N 1 0 350.459 2.321 20 30 FEEDRO C=C(C[NH+](C)C)C(=O)N1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2CC1 ZINC000817732527 675165725 /nfs/dbraw/zinc/16/57/25/675165725.db2.gz FYBHKFRQWJQSPM-IYBDPMFKSA-N 1 0 351.491 2.210 20 30 FEEDRO C[N@@H+]1CC[C@@]2(CCN(S(=O)(=O)c3ccc(C#N)c(C(F)(F)F)c3)C2)C1 ZINC000576089389 671343183 /nfs/dbraw/zinc/34/31/83/671343183.db2.gz QADPRIHIMKOXFG-OAHLLOKOSA-N 1 0 373.400 2.293 20 30 FEEDRO C[C@@H]1CCCN(C(C)(C)C[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000576749206 671391425 /nfs/dbraw/zinc/39/14/25/671391425.db2.gz PFKMNJLRFJZHGD-MRXNPFEDSA-N 1 0 363.527 2.432 20 30 FEEDRO Cc1nsc(N2CCN(C(=O)CC[C@H]3CCCC[N@H+]3C)CC2)c1C#N ZINC000577671760 671612335 /nfs/dbraw/zinc/61/23/35/671612335.db2.gz FPPNELHPDOXUCJ-OAHLLOKOSA-N 1 0 361.515 2.236 20 30 FEEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000609438303 675922118 /nfs/dbraw/zinc/92/21/18/675922118.db2.gz BQLXYUSXWSEKTD-KBPBESRZSA-N 1 0 360.483 2.230 20 30 FEEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000609438307 675922232 /nfs/dbraw/zinc/92/22/32/675922232.db2.gz BQLXYUSXWSEKTD-ZIAGYGMSSA-N 1 0 360.483 2.230 20 30 FEEDRO N#Cc1ccsc1NC(=O)CCN1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000609433619 675922251 /nfs/dbraw/zinc/92/22/51/675922251.db2.gz WRPXYZKTETWQLC-INIZCTEOSA-N 1 0 362.499 2.135 20 30 FEEDRO N#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H](n3ccnn3)C2)cc1Cl ZINC000580437779 671807471 /nfs/dbraw/zinc/80/74/71/671807471.db2.gz WVHCMCYKKAJNSJ-OAHLLOKOSA-N 1 0 358.833 2.469 20 30 FEEDRO N#Cc1ccsc1N1CC[C@H](N2CC[C@@H](Oc3ccncc3)C2)C1=O ZINC000580700824 671825507 /nfs/dbraw/zinc/82/55/07/671825507.db2.gz YDYFUVUVUDCEQU-CVEARBPZSA-N 1 0 354.435 2.273 20 30 FEEDRO CC[NH+](CC)CC#C[C@@H](C)OC(=O)c1ccc(CS(C)(=O)=O)cc1 ZINC000119417759 671899016 /nfs/dbraw/zinc/89/90/16/671899016.db2.gz FXYDODGGCXWTBF-OAHLLOKOSA-N 1 0 351.468 2.122 20 30 FEEDRO CC[NH+](CC)CC#C[C@@H](C)OC(=O)c1ccc(-n2cnnn2)cc1Cl ZINC000121566358 671952698 /nfs/dbraw/zinc/95/26/98/671952698.db2.gz UOPQUDDXAMMSRL-CYBMUJFWSA-N 1 0 361.833 2.206 20 30 FEEDRO C[NH+](C)[C@@H](CNC(=O)NC1CCN(CC#N)CC1)c1ccc(Cl)cc1 ZINC000610460598 675973348 /nfs/dbraw/zinc/97/33/48/675973348.db2.gz LWLYXOBHIHGXLV-KRWDZBQOSA-N 1 0 363.893 2.230 20 30 FEEDRO COCC[N@H+]1[C@H](C)CN(CC(=O)Nc2cc(Cl)ccc2C#N)C[C@@H]1C ZINC000128944726 672055177 /nfs/dbraw/zinc/05/51/77/672055177.db2.gz NNYUFNVVSXRKCA-OKILXGFUSA-N 1 0 364.877 2.191 20 30 FEEDRO CC[C@H](CS(=O)(=O)c1ccccc1)NC(=[NH2+])NCCc1ccccc1 ZINC000130866333 672080882 /nfs/dbraw/zinc/08/08/82/672080882.db2.gz BGQLQKSNPJSHHL-QGZVFWFLSA-N 1 0 359.495 2.386 20 30 FEEDRO C=CCNC(=S)C(C(=O)c1cccc(C(=O)OC)c1)[n+]1ccccc1 ZINC000133433963 672110779 /nfs/dbraw/zinc/11/07/79/672110779.db2.gz VIHLSRYEKGLIIJ-UHFFFAOYSA-O 1 0 355.439 2.475 20 30 FEEDRO CC(C)CNS(=O)(=O)c1ccc(CNC(=[NH2+])N2CCCCCC2)cc1 ZINC000134237796 672121203 /nfs/dbraw/zinc/12/12/03/672121203.db2.gz RMXMOUUMHFYMBG-UHFFFAOYSA-N 1 0 366.531 2.312 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)cc1C(F)(F)F ZINC000610583892 675982766 /nfs/dbraw/zinc/98/27/66/675982766.db2.gz UVDMHMRARRRLEZ-CYBMUJFWSA-N 1 0 373.400 2.340 20 30 FEEDRO Cc1ccc(S(=O)(=O)NCCNC(=[NH2+])Nc2cccc(C)c2)s1 ZINC000151423808 672162734 /nfs/dbraw/zinc/16/27/34/672162734.db2.gz ALFBENZWALBEKF-UHFFFAOYSA-N 1 0 352.485 2.070 20 30 FEEDRO C[NH+]=C(NCc1ccc(Br)s1)N1CCC[C@@H](CC(N)=O)C1 ZINC000153682533 672202942 /nfs/dbraw/zinc/20/29/42/672202942.db2.gz LMRGYLSQROFWLA-JTQLQIEISA-N 1 0 373.320 2.173 20 30 FEEDRO CCN(CC)C(=[NH2+])NCCOc1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000156993624 672253168 /nfs/dbraw/zinc/25/31/68/672253168.db2.gz ZGOUBNJUQOXGAW-UHFFFAOYSA-N 1 0 367.393 2.015 20 30 FEEDRO C[NH+]=C(NCC(C)(C)c1ccc(C)cc1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000158595167 672270932 /nfs/dbraw/zinc/27/09/32/672270932.db2.gz CRUPUAPBAOTNBS-UHFFFAOYSA-N 1 0 365.543 2.357 20 30 FEEDRO C=CCn1c(C)nn(CN2CC[N@H+](CCOC)[C@@H](CCC)C2)c1=S ZINC000159824093 672285429 /nfs/dbraw/zinc/28/54/29/672285429.db2.gz DYODZJYYKZVCAW-INIZCTEOSA-N 1 0 353.536 2.299 20 30 FEEDRO [NH2+]=C(NCCn1cc([N+](=O)[O-])cn1)Nc1ccccc1OC(F)(F)F ZINC000160762992 672293458 /nfs/dbraw/zinc/29/34/58/672293458.db2.gz ZMDYHYLSOGVKDQ-UHFFFAOYSA-N 1 0 358.280 2.117 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)NCCN(CC)C(=O)OC(C)(C)C)CC1 ZINC000171734765 672335135 /nfs/dbraw/zinc/33/51/35/672335135.db2.gz CTTGTFWEWOBQNO-UHFFFAOYSA-N 1 0 354.495 2.193 20 30 FEEDRO C#CCOc1ccc(Br)cc1C[NH2+]C[C@]1(O)CCSC1 ZINC000176749817 672376690 /nfs/dbraw/zinc/37/66/90/672376690.db2.gz ROHHXQKCRMSOBQ-OAHLLOKOSA-N 1 0 356.285 2.419 20 30 FEEDRO C[C@@H]1CCCC[N@@H+]1CC(N)=NOCC(=O)N1CCC[C@H]2CCCC[C@@H]21 ZINC000177592701 672384035 /nfs/dbraw/zinc/38/40/35/672384035.db2.gz OAYZCUVZKQHLSG-ZACQAIPSSA-N 1 0 350.507 2.331 20 30 FEEDRO C[C@H](CNC(=O)c1c(Cl)cc(C#N)cc1Cl)C[NH+]1CCN(C)CC1 ZINC000611094226 676016925 /nfs/dbraw/zinc/01/69/25/676016925.db2.gz BNXIIGSXYGVCGA-GFCCVEGCSA-N 1 0 369.296 2.478 20 30 FEEDRO C=CCOCC[NH2+][C@H](CN1CCC(C(N)=O)CC1)c1ccc(Cl)cc1 ZINC000680349104 672567440 /nfs/dbraw/zinc/56/74/40/672567440.db2.gz HCUQWHCQYLBYPF-GOSISDBHSA-N 1 0 365.905 2.371 20 30 FEEDRO C[C@@H]1[C@H]([NH+](C)C)CCN1S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000590588223 672592868 /nfs/dbraw/zinc/59/28/68/672592868.db2.gz DTRASINMQZMXOY-QMTHXVAHSA-N 1 0 372.288 2.034 20 30 FEEDRO C[C@H]1[C@H]([NH+](C)C)CCN1S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000590589078 672593437 /nfs/dbraw/zinc/59/34/37/672593437.db2.gz LKTYMTTTYKZEKO-IINYFYTJSA-N 1 0 361.389 2.290 20 30 FEEDRO CN1CCC([N@@H+]2CC[C@H](Nc3ncc(Br)cc3C#N)C2)CC1 ZINC000590690088 672602323 /nfs/dbraw/zinc/60/23/23/672602323.db2.gz PUOWBUUOGUWJKT-AWEZNQCLSA-N 1 0 364.291 2.296 20 30 FEEDRO C[C@@H](NC(=O)C#Cc1ccc(C(F)(F)F)cc1)[C@H](C)N1CCOCC1 ZINC000191293677 672662917 /nfs/dbraw/zinc/66/29/17/672662917.db2.gz RCFKPJMMNUOCEO-KGLIPLIRSA-N 1 0 354.372 2.282 20 30 FEEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000591292528 672666711 /nfs/dbraw/zinc/66/67/11/672666711.db2.gz YRVSSTHRTKDAJM-UONOGXRCSA-N 1 0 360.483 2.278 20 30 FEEDRO N#Cc1cc(NC(=O)C(=O)N2CCC3(CC[NH2+]CC3)CC2)ccc1Cl ZINC000591304338 672667449 /nfs/dbraw/zinc/66/74/49/672667449.db2.gz DKRWENVWCCGUBE-UHFFFAOYSA-N 1 0 360.845 2.142 20 30 FEEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CCC(C)([NH3+])CC1 ZINC000591303215 672667555 /nfs/dbraw/zinc/66/75/55/672667555.db2.gz NVJCHALWMXHINX-CYBMUJFWSA-N 1 0 360.483 2.359 20 30 FEEDRO CC[C@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)CC[C@@H]1[NH3+] ZINC000592381853 672794811 /nfs/dbraw/zinc/79/48/11/672794811.db2.gz HUYANKWYFDCBOS-HZMBPMFUSA-N 1 0 361.389 2.325 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@H]1CSCN1C(=O)CC)C(C)C ZINC000592884764 672851253 /nfs/dbraw/zinc/85/12/53/672851253.db2.gz AVJMTNFXYIWGAV-JKSUJKDBSA-N 1 0 353.532 2.113 20 30 FEEDRO C[NH+]=C(NC[C@H]1CCN(CC(F)(F)F)C1)N1CCSC(C)(C)C1 ZINC000261768561 672903191 /nfs/dbraw/zinc/90/31/91/672903191.db2.gz DNPAMXVSRBBODF-GFCCVEGCSA-N 1 0 352.470 2.273 20 30 FEEDRO C[NH+]=C(NCc1sc(C)nc1C)N1CCN([C@@H](C)C(F)(F)F)CC1 ZINC000261937893 672905501 /nfs/dbraw/zinc/90/55/01/672905501.db2.gz XAGRPWLLVGSPEV-NSHDSACASA-N 1 0 363.453 2.404 20 30 FEEDRO C[NH+]=C(NC[C@@H]1CCCS1)NCC1(N2CCOCC2)CCCCC1 ZINC000261959862 672906174 /nfs/dbraw/zinc/90/61/74/672906174.db2.gz JVJRFUDDPBUWNQ-INIZCTEOSA-N 1 0 354.564 2.082 20 30 FEEDRO C[NH+]=C(NCC(=O)NC1CCCCC1)N(C)Cc1cc(Cl)cn1C ZINC000261964969 672906545 /nfs/dbraw/zinc/90/65/45/672906545.db2.gz LDXXKEFXAWAVFR-UHFFFAOYSA-N 1 0 353.898 2.135 20 30 FEEDRO CC(C)CNC(=[NH2+])NCc1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1 ZINC000261993759 672906972 /nfs/dbraw/zinc/90/69/72/672906972.db2.gz MYJWLRSTUKXZOE-HNNXBMFYSA-N 1 0 366.531 2.168 20 30 FEEDRO C[C@@H]1CCCN(S(=O)(=O)c2ccc(C[NH+]=C(N(C)C)N(C)C)cc2)C1 ZINC000262012659 672907389 /nfs/dbraw/zinc/90/73/89/672907389.db2.gz USBCXUDGPPAVHV-OAHLLOKOSA-N 1 0 366.531 2.086 20 30 FEEDRO C[NH+]=C(NC[C@@]1(O)CCSC1)N(C)Cc1ccccc1Br ZINC000262445418 672916037 /nfs/dbraw/zinc/91/60/37/672916037.db2.gz VFDKPQBHDNOZIZ-HNNXBMFYSA-N 1 0 372.332 2.324 20 30 FEEDRO C[C@@H]1CCN(C(NC[C@@H]2CCS(=O)(=O)C2)=[NH+]C2CCCC2)C[C@@H]1C ZINC000262452237 672916585 /nfs/dbraw/zinc/91/65/85/672916585.db2.gz WEJOBAQSHKOAIJ-PMPSAXMXSA-N 1 0 355.548 2.287 20 30 FEEDRO CS(=O)(=O)N[C@H]1CCCC[C@@H]1CNC(=[NH2+])Nc1ccc2c(c1)CCC2 ZINC000262655475 672918667 /nfs/dbraw/zinc/91/86/67/672918667.db2.gz LOYAUFJQBGYIJY-WBVHZDCISA-N 1 0 364.515 2.010 20 30 FEEDRO C[NH+]=C(NCCc1sc(C)nc1C)N[C@@H]1CCC[C@H](C(=O)N(C)C)C1 ZINC000262745791 672920111 /nfs/dbraw/zinc/92/01/11/672920111.db2.gz AFJIINRPHCWTGZ-LSDHHAIUSA-N 1 0 365.547 2.114 20 30 FEEDRO CC[NH+]=C(NC[C@]1(N(C)C)CCSC1)N1CCC[C@]2(CCCOC2)C1 ZINC000262804117 672921481 /nfs/dbraw/zinc/92/14/81/672921481.db2.gz RPMNAULUDSXZMI-RBUKOAKNSA-N 1 0 368.591 2.282 20 30 FEEDRO CC[N@@H+]1CCC[C@H](NC(=O)Cc2ccc(Br)cc2C#N)C1 ZINC000593457181 672926686 /nfs/dbraw/zinc/92/66/86/672926686.db2.gz WCOVDUWSYBOTQD-HNNXBMFYSA-N 1 0 350.260 2.464 20 30 FEEDRO Cc1cc(Br)cn2cc(CCNC(=[NH2+])NC3CCC3)nc12 ZINC000263057397 672926756 /nfs/dbraw/zinc/92/67/56/672926756.db2.gz FDRGEAKNOLZJPL-UHFFFAOYSA-N 1 0 350.264 2.405 20 30 FEEDRO Cc1nccnc1CCNC(=[NH2+])N1CCN(c2ccc(Cl)cc2)CC1 ZINC000263059619 672926982 /nfs/dbraw/zinc/92/69/82/672926982.db2.gz FJDPJMHJIFZPJO-UHFFFAOYSA-N 1 0 358.877 2.118 20 30 FEEDRO C=CCOCC[NH2+][C@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000684556725 672941369 /nfs/dbraw/zinc/94/13/69/672941369.db2.gz DYPQKHJMBFLSLT-SECBINFHSA-N 1 0 353.271 2.494 20 30 FEEDRO CN(CCC[N@H+](C)Cc1ccco1)S(=O)(=O)c1ccsc1C#N ZINC000593595548 672953856 /nfs/dbraw/zinc/95/38/56/672953856.db2.gz OMOMQFLJZMPLCK-UHFFFAOYSA-N 1 0 353.469 2.355 20 30 FEEDRO CC(C)(C)OC(=O)N1CCN(C(=[NH2+])NCc2cc(F)ccc2F)CC1 ZINC000304757169 673020558 /nfs/dbraw/zinc/02/05/58/673020558.db2.gz OMWAISCXZOEORB-UHFFFAOYSA-N 1 0 354.401 2.332 20 30 FEEDRO N#Cc1ccc(NC(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1Cl ZINC000594326951 673059065 /nfs/dbraw/zinc/05/90/65/673059065.db2.gz SNMWHQXYWKVISU-JKSUJKDBSA-N 1 0 360.845 2.283 20 30 FEEDRO CC(C)[NH+]1CCN(C2CCN(C(=O)NCc3nccs3)CC2)CC1 ZINC000328825808 673067542 /nfs/dbraw/zinc/06/75/42/673067542.db2.gz HRNXSRNRSNFXRD-UHFFFAOYSA-N 1 0 351.520 2.048 20 30 FEEDRO CO[C@H]1C[C@@H](C(=O)N[C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)N(C)C1 ZINC000328950187 673069914 /nfs/dbraw/zinc/06/99/14/673069914.db2.gz CFGCQZIOELGWFU-GLQYFDAESA-N 1 0 369.824 2.260 20 30 FEEDRO CCCCNS(=O)(=O)c1cccc(NC(=O)[C@@H]([NH3+])CCCCC#N)c1 ZINC000594428523 673070729 /nfs/dbraw/zinc/07/07/29/673070729.db2.gz YVRKBAYXZPREFE-INIZCTEOSA-N 1 0 366.487 2.115 20 30 FEEDRO Cc1ccc(C(=O)NC2CCN(C(=O)[C@H]([NH3+])CCCCC#N)CC2)s1 ZINC000594440351 673072073 /nfs/dbraw/zinc/07/20/73/673072073.db2.gz YFNYQESVWZZXOH-OAHLLOKOSA-N 1 0 362.499 2.189 20 30 FEEDRO CC(C)C(=O)N1CCC[C@H]1C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000329118872 673072478 /nfs/dbraw/zinc/07/24/78/673072478.db2.gz VCMWMYHEHJWUDP-INIZCTEOSA-N 1 0 351.491 2.235 20 30 FEEDRO CC(C)(C#N)c1ccc(C[NH2+][C@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)cc1 ZINC000594500109 673094258 /nfs/dbraw/zinc/09/42/58/673094258.db2.gz KZKWRDNZVLHURW-HKUYNNGSSA-N 1 0 362.495 2.314 20 30 FEEDRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1c1cc(Br)c(C#N)cc1F ZINC000594585892 673103054 /nfs/dbraw/zinc/10/30/54/673103054.db2.gz GUAHDACXRBJQHR-SNVBAGLBSA-N 1 0 369.238 2.016 20 30 FEEDRO N#CC1(c2ccc(C[NH2+][C@@H]3CCO[C@@]4(CCS(=O)(=O)C4)C3)cc2)CC1 ZINC000594935464 673179131 /nfs/dbraw/zinc/17/91/31/673179131.db2.gz PPERRUORDWQXMV-MJGOQNOKSA-N 1 0 360.479 2.068 20 30 FEEDRO N#CCc1ccc(CS(=O)(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)cc1 ZINC000595115128 673195887 /nfs/dbraw/zinc/19/58/87/673195887.db2.gz AFVDGCBVGYOCHG-IBGZPJMESA-N 1 0 361.511 2.294 20 30 FEEDRO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000595120872 673197280 /nfs/dbraw/zinc/19/72/80/673197280.db2.gz GCYAPHYPGJPJJD-CHWSQXEVSA-N 1 0 353.444 2.141 20 30 FEEDRO N#Cc1sccc1N1CCN(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000595496113 673257913 /nfs/dbraw/zinc/25/79/13/673257913.db2.gz VPWUMIUDQWJXRG-LSDHHAIUSA-N 1 0 359.499 2.078 20 30 FEEDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)N1CCN(c2ccsc2C#N)CC1 ZINC000595553263 673265508 /nfs/dbraw/zinc/26/55/08/673265508.db2.gz WODHYHKHFNAMQK-HNNXBMFYSA-N 1 0 361.515 2.326 20 30 FEEDRO C=CCCSCCNC(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000595672530 673282028 /nfs/dbraw/zinc/28/20/28/673282028.db2.gz ADJYZEQJASSCFU-UHFFFAOYSA-N 1 0 355.548 2.486 20 30 FEEDRO C[NH+](C)CCCNC(=S)NN=Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000731930790 673348663 /nfs/dbraw/zinc/34/86/63/673348663.db2.gz MBYQGWFVXNMBDS-UHFFFAOYSA-N 1 0 370.906 2.251 20 30 FEEDRO C=CC[C@@H](CO)CNC(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000537109999 673382931 /nfs/dbraw/zinc/38/29/31/673382931.db2.gz IYUIUAIETBVJBJ-MRXNPFEDSA-N 1 0 351.516 2.444 20 30 FEEDRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)c2cc(F)c(C#N)c(F)c2)C1 ZINC000597331776 673468809 /nfs/dbraw/zinc/46/88/09/673468809.db2.gz MFQOYLVCBRJOCA-AWEZNQCLSA-N 1 0 351.397 2.409 20 30 FEEDRO Cc1ccc(C#N)cc1S(=O)(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000599104751 673633502 /nfs/dbraw/zinc/63/35/02/673633502.db2.gz XFFJAGLMYVXDOY-STQMWFEESA-N 1 0 361.389 2.015 20 30 FEEDRO C[C@H](c1ccc([S@](C)=O)cc1)[N@H+](C)C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599308839 673656464 /nfs/dbraw/zinc/65/64/64/673656464.db2.gz YBLWIZNHNUVWND-FZXICVGQSA-N 1 0 364.511 2.488 20 30 FEEDRO C[N@@H+](Cc1ccc([S@@](C)=O)cc1)C[C@H](O)COc1ccccc1C#N ZINC000599309344 673656944 /nfs/dbraw/zinc/65/69/44/673656944.db2.gz WJOBWNJPGJBFCN-SSOJOUAXSA-N 1 0 358.463 2.167 20 30 FEEDRO CCOC(=O)CC[C@@H]1CCC[N@H+](C[C@@H](O)CC2(C#N)CCOCC2)C1 ZINC000599339003 673661123 /nfs/dbraw/zinc/66/11/23/673661123.db2.gz DMMXMRHDKNTEJB-IRXDYDNUSA-N 1 0 352.475 2.113 20 30 FEEDRO C[C@H]([NH2+]C[C@H](O)COc1ccccc1C#N)c1ccc([S@](C)=O)cc1 ZINC000599353163 673662733 /nfs/dbraw/zinc/66/27/33/673662733.db2.gz GAAHKBFLNJRJOQ-LIHGKODYSA-N 1 0 358.463 2.386 20 30 FEEDRO N#CC1(C[C@@H](O)C[NH2+][C@H](CO)c2ccc(Br)c(F)c2)CC1 ZINC000599425418 673674454 /nfs/dbraw/zinc/67/44/54/673674454.db2.gz GKTXOACFVZQANW-BXUZGUMPSA-N 1 0 357.223 2.266 20 30 FEEDRO N#CC1(C[C@@H](O)C[NH+]2CCC3(CC2)C(F)(F)C3(F)F)CCOCC1 ZINC000599451520 673677122 /nfs/dbraw/zinc/67/71/22/673677122.db2.gz ZFSOEBUTOSHIGS-GFCCVEGCSA-N 1 0 350.356 2.424 20 30 FEEDRO C[C@@H]1CC[C@@H](NC(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)C[NH2+]1 ZINC000599605130 673696642 /nfs/dbraw/zinc/69/66/42/673696642.db2.gz SSFWCKMQXYWDHG-BXUZGUMPSA-N 1 0 358.833 2.659 20 30 FEEDRO COc1cc(NC(=O)NC[C@@]2([NH+](C)C)CCSC2)c(F)cc1C#N ZINC000599820148 673720319 /nfs/dbraw/zinc/72/03/19/673720319.db2.gz VIZQGZLPCGLQKP-INIZCTEOSA-N 1 0 352.435 2.265 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N(C[C@H](O)CC(C)(C)C)C1CC[NH+](C)CC1 ZINC000614443815 676175173 /nfs/dbraw/zinc/17/51/73/676175173.db2.gz QCSZPYWIMIPMIR-KURKYZTESA-N 1 0 352.519 2.297 20 30 FEEDRO CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)Nc1scc(C(C)(C)C)c1C#N ZINC000599891163 673726636 /nfs/dbraw/zinc/72/66/36/673726636.db2.gz ZNTDBMICLJYBOR-AWEZNQCLSA-N 1 0 362.499 2.312 20 30 FEEDRO CC[C@H](CO)[NH+]1CCN(C(=S)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000743018248 673745424 /nfs/dbraw/zinc/74/54/24/673745424.db2.gz MAGBGKSCARTQJP-CQSZACIVSA-N 1 0 352.891 2.297 20 30 FEEDRO Cc1cc(Br)ccc1NC(=O)C[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000600714441 673793990 /nfs/dbraw/zinc/79/39/90/673793990.db2.gz MFDYNYPAJQNIBZ-CYBMUJFWSA-N 1 0 366.259 2.340 20 30 FEEDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2c(C)cc(F)cc2C#N)C[C@@H]1C ZINC000601355530 673847301 /nfs/dbraw/zinc/84/73/01/673847301.db2.gz TXCIVFPXWPNVAT-XJKSGUPXSA-N 1 0 353.463 2.499 20 30 FEEDRO Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000601374139 673850925 /nfs/dbraw/zinc/85/09/25/673850925.db2.gz BHCMFXGYJGRTSO-BBRMVZONSA-N 1 0 351.447 2.111 20 30 FEEDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNS(=O)(=O)CC1(CC#N)CC1 ZINC000601481361 673869460 /nfs/dbraw/zinc/86/94/60/673869460.db2.gz DZHQCVAKAJDXGQ-FUHWJXTLSA-N 1 0 361.511 2.368 20 30 FEEDRO CCN(C[C@H](C)C#N)S(=O)(=O)N1CCC(CC)([NH+]2CCCC2)CC1 ZINC000601497476 673870649 /nfs/dbraw/zinc/87/06/49/673870649.db2.gz YDNSIBLYJYHWPS-MRXNPFEDSA-N 1 0 356.536 2.053 20 30 FEEDRO C[C@@H](CNS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N)[NH+]1CCCC1 ZINC000547716027 673883495 /nfs/dbraw/zinc/88/34/95/673883495.db2.gz ZRDFCAYFXGMCBI-NSHDSACASA-N 1 0 361.389 2.340 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+]Cc2cccc3c2CCOC3)cc1 ZINC000601967520 673900631 /nfs/dbraw/zinc/90/06/31/673900631.db2.gz GSRBYZHUPOMJNB-UHFFFAOYSA-N 1 0 356.447 2.194 20 30 FEEDRO C[NH+](C)C[C@]1(O)CCCN(Cc2ccc(Br)cc2C#N)C1 ZINC000602877024 673912319 /nfs/dbraw/zinc/91/23/19/673912319.db2.gz KDJYENHAXKCMDX-MRXNPFEDSA-N 1 0 352.276 2.209 20 30 FEEDRO COC[C@@](C)(CO)[NH2+]CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 ZINC000602931710 673913968 /nfs/dbraw/zinc/91/39/68/673913968.db2.gz JRPYYVWHUVODFF-KPZWWZAWSA-N 1 0 365.499 2.060 20 30 FEEDRO C=CCn1c(Cc2nc(C)cs2)nnc1N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000566738324 675239065 /nfs/dbraw/zinc/23/90/65/675239065.db2.gz WBJOWEODLWHVOC-HNNXBMFYSA-N 1 0 358.515 2.493 20 30 FEEDRO C=C(Br)C[NH2+]C[C@H](O)COc1ccc(CCC(C)=O)cc1 ZINC000818979599 675249482 /nfs/dbraw/zinc/24/94/82/675249482.db2.gz RJWQWSLGYULGSW-HNNXBMFYSA-N 1 0 356.260 2.446 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]C[C@@H](O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000819381755 675286787 /nfs/dbraw/zinc/28/67/87/675286787.db2.gz DXXFSDYHRINAFV-BBWFWOEESA-N 1 0 354.491 2.175 20 30 FEEDRO C[C@H]1CCC[N@@H+]1CCNC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C ZINC000819931963 675325286 /nfs/dbraw/zinc/32/52/86/675325286.db2.gz YHRUQZLDYOWPIY-GJZGRUSLSA-N 1 0 352.479 2.174 20 30 FEEDRO C#CCN(CC)Cc1cc(Br)ccc1O[C@H](C)C(=O)NC ZINC000823419026 675551752 /nfs/dbraw/zinc/55/17/52/675551752.db2.gz OQIPCTPTRYJOHP-GFCCVEGCSA-N 1 0 353.260 2.418 20 30 FEEDRO C[N@@H+]1CC[C@H]2CN(C(=O)Cc3ccc(Br)cc3C#N)CC[C@@H]21 ZINC000827234083 675741941 /nfs/dbraw/zinc/74/19/41/675741941.db2.gz WNNRFLZDMPJGFA-BBRMVZONSA-N 1 0 362.271 2.416 20 30 FEEDRO O=C(C#Cc1cccs1)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000827316448 675747567 /nfs/dbraw/zinc/74/75/67/675747567.db2.gz BJYBRZQGOVAIHQ-PKOBYXMFSA-N 1 0 354.475 2.099 20 30 FEEDRO C[NH+](C)CCOc1cc(C(=O)NCc2ccc(C#N)c(Cl)c2)ccn1 ZINC000619780176 676394401 /nfs/dbraw/zinc/39/44/01/676394401.db2.gz CMYLMRZCIFQDBZ-UHFFFAOYSA-N 1 0 358.829 2.477 20 30 FEEDRO C=CC[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)C1 ZINC000625701903 676669297 /nfs/dbraw/zinc/66/92/97/676669297.db2.gz UJPQWFQPVCUNJZ-OAHLLOKOSA-N 1 0 365.499 2.082 20 30 FEEDRO CC(Cn1cc(Br)ccc1=O)=NNCC[NH+]1CCCCC1 ZINC000761783241 680731665 /nfs/dbraw/zinc/73/16/65/680731665.db2.gz VEAAYHFUOUFWQC-UHFFFAOYSA-N 1 0 355.280 2.062 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)C(=O)c2ccc(Br)s2)CC1 ZINC000839691611 680772363 /nfs/dbraw/zinc/77/23/63/680772363.db2.gz IWEHCDZBMJLQOR-UHFFFAOYSA-N 1 0 369.284 2.297 20 30 FEEDRO C[NH+](C)CC(C)(C)CNC(=S)Nc1cnn(-c2ncccc2C#N)c1 ZINC000763360492 680780864 /nfs/dbraw/zinc/78/08/64/680780864.db2.gz BYPRGGDEDZNLAO-UHFFFAOYSA-N 1 0 357.487 2.013 20 30 FEEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1ccc(C)c(S(N)(=O)=O)c1 ZINC000661117897 678437215 /nfs/dbraw/zinc/43/72/15/678437215.db2.gz UZYZASITLMGDSI-ZBFHGGJFSA-N 1 0 365.499 2.305 20 30 FEEDRO C#Cc1cccc(NC(=S)N2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)c1 ZINC000763307720 680779508 /nfs/dbraw/zinc/77/95/08/680779508.db2.gz ZPDOKOCCEKFFHP-APWZRJJASA-N 1 0 356.539 2.323 20 30 FEEDRO C=CC[C@@]1(C(=O)N2CCN(C(=O)c3cccc(Cl)c3)CC2)CCC[NH2+]1 ZINC000662465178 678625185 /nfs/dbraw/zinc/62/51/85/678625185.db2.gz UPBMJLYZKRPRBR-IBGZPJMESA-N 1 0 361.873 2.323 20 30 FEEDRO C=CC[C@]1(C(=O)Nc2ccc(S(=O)(=O)NCCC)cc2)CCC[NH2+]1 ZINC000662484280 678628352 /nfs/dbraw/zinc/62/83/52/678628352.db2.gz UDLQXIAXUVMPMQ-QGZVFWFLSA-N 1 0 351.472 2.012 20 30 FEEDRO C=C(C[NH+](C)C)C(=O)Nc1ccc(C)c(S(=O)(=O)N(CC)CC)c1 ZINC000763904928 680795009 /nfs/dbraw/zinc/79/50/09/680795009.db2.gz VYRKLUVTFZOPIE-UHFFFAOYSA-N 1 0 353.488 2.082 20 30 FEEDRO C=CCn1c(C2CC2)nn(CN2CCO[C@@H]3CC[N@@H+](CC)C[C@@H]32)c1=S ZINC000840083951 680796858 /nfs/dbraw/zinc/79/68/58/680796858.db2.gz PBCTWCGLKNRLIM-JKSUJKDBSA-N 1 0 363.531 2.230 20 30 FEEDRO C=CC[C@]1(C(=O)N[C@@H](CC)CS(=O)(=O)c2ccccc2)CCC[NH2+]1 ZINC000662799558 678662826 /nfs/dbraw/zinc/66/28/26/678662826.db2.gz MWNVBBLUSZTATQ-MAUKXSAKSA-N 1 0 350.484 2.053 20 30 FEEDRO C=C(C)Cn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1C[C@@H]2C[C@H]1CS2 ZINC000669336142 679229987 /nfs/dbraw/zinc/22/99/87/679229987.db2.gz XBKBSJYCYXEMDF-UGUYLWEFSA-N 1 0 361.515 2.084 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=S)NCc1ccc(Br)cc1 ZINC000840759141 680841272 /nfs/dbraw/zinc/84/12/72/680841272.db2.gz VSVWCDXLXDPVOM-UHFFFAOYSA-N 1 0 354.317 2.368 20 30 FEEDRO CC(C)OC(=O)c1ccc(Cl)c(NC(=O)N[C@H]2C[NH2+]C[C@H]2C#N)c1 ZINC000841099643 680863275 /nfs/dbraw/zinc/86/32/75/680863275.db2.gz MVMHPNZWWQSFJW-RISCZKNCSA-N 1 0 350.806 2.138 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N(CC=C)c2nc(C(=O)OCC)cs2)CC1 ZINC000749126557 680021708 /nfs/dbraw/zinc/02/17/08/680021708.db2.gz ONTIOFRDSSXPBT-UHFFFAOYSA-N 1 0 361.467 2.184 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CC[NH+](CCCCO)CC1 ZINC000750055763 680097836 /nfs/dbraw/zinc/09/78/36/680097836.db2.gz PQSSPVBRTXLVOL-KRWDZBQOSA-N 1 0 365.543 2.041 20 30 FEEDRO C=C(Cl)C(C)(C)C(=O)N1C[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@]2(C)C1 ZINC000992942275 680137982 /nfs/dbraw/zinc/13/79/82/680137982.db2.gz NNOUPOYDLKZYPT-YZVOILCLSA-N 1 0 367.921 2.024 20 30 FEEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)CCNC(=O)[C@@H]([NH3+])C(C)C ZINC000912068161 685308740 /nfs/dbraw/zinc/30/87/40/685308740.db2.gz OVVPRRLZORVCTI-HNNXBMFYSA-N 1 0 357.907 2.406 20 30 FEEDRO C=C(Br)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@]34CCC[C@H]3OCC4)[C@@H]2C1 ZINC000978473129 680176894 /nfs/dbraw/zinc/17/68/94/680176894.db2.gz SREKQGSTGWEEOI-GAGVYUBLSA-N 1 0 369.303 2.148 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3nc(C)sc3C)C[C@H]21 ZINC000978720281 680179447 /nfs/dbraw/zinc/17/94/47/680179447.db2.gz RYUHGRATCTZDSR-JLOCXQCDSA-N 1 0 361.511 2.145 20 30 FEEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)CCSc1ccc(Br)cc1 ZINC000834480283 680233050 /nfs/dbraw/zinc/23/30/50/680233050.db2.gz NOMYLPQYFPTAJX-GXFFZTMASA-N 1 0 354.273 2.159 20 30 FEEDRO C[C@H](Sc1ccc(Br)cc1)C(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000834488343 680233838 /nfs/dbraw/zinc/23/38/38/680233838.db2.gz BSEUODPHZKHTDT-CWSCBRNRSA-N 1 0 354.273 2.157 20 30 FEEDRO CCCOc1ccc(-c2nc(C(=O)N[C@H]3C[NH2+]C[C@@H]3C#N)cs2)cc1 ZINC000834493717 680234887 /nfs/dbraw/zinc/23/48/87/680234887.db2.gz GSIVGTJKLZTBIW-ZFWWWQNUSA-N 1 0 356.451 2.440 20 30 FEEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)C1(Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000834499836 680235795 /nfs/dbraw/zinc/23/57/95/680235795.db2.gz NHOYIXGGVLMFGS-TZMCWYRMSA-N 1 0 353.344 2.136 20 30 FEEDRO CCCOc1c(Cl)cc(C(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)cc1OCC ZINC000834504555 680236056 /nfs/dbraw/zinc/23/60/56/680236056.db2.gz BZBLVXIBWZLDHP-JSGCOSHPSA-N 1 0 351.834 2.369 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[N@H+](C[C@@H]2CCCOC2)CC1 ZINC000982134881 680270518 /nfs/dbraw/zinc/27/05/18/680270518.db2.gz LHTCUYVUYPBKMT-FHWLQOOXSA-N 1 0 350.503 2.319 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@H](C[NH2+]Cc2nnc(C)s2)C1 ZINC001024196068 680283900 /nfs/dbraw/zinc/28/39/00/680283900.db2.gz KJRJMKCMFWGWGQ-ZOBUZTSGSA-N 1 0 364.515 2.156 20 30 FEEDRO CC(=NNC(=S)NCCC[NH+](C)C)c1cc(-c2ccccc2)nn1C ZINC000834957440 680284608 /nfs/dbraw/zinc/28/46/08/680284608.db2.gz KAYVPXSZNXAVKX-UHFFFAOYSA-N 1 0 358.515 2.227 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]([NH2+]CC2CCOCC2)C(C)(C)C1 ZINC000995831478 680305544 /nfs/dbraw/zinc/30/55/44/680305544.db2.gz KLYOEZKOKUBUGS-SQNIBIBYSA-N 1 0 350.503 2.221 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]Cc1snnc1C ZINC001024967164 680308216 /nfs/dbraw/zinc/30/82/16/680308216.db2.gz SFTLKGYKVOOUCZ-OAGGEKHMSA-N 1 0 364.515 2.298 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CC1CCOCC1 ZINC001025112087 680313939 /nfs/dbraw/zinc/31/39/39/680313939.db2.gz RAWIEMHRRSPGRP-QYZOEREBSA-N 1 0 350.503 2.365 20 30 FEEDRO C=C(Br)C[NH2+][C@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1(C)C ZINC000996055354 680317591 /nfs/dbraw/zinc/31/75/91/680317591.db2.gz SESKZOBVKDELLT-QZOBBIQNSA-N 1 0 369.303 2.145 20 30 FEEDRO C=C(Cl)C[NH2+]C1CCN(C(=O)[C@@H]2CCCO[C@H]2c2cnn(C)c2)CC1 ZINC000996693032 680338776 /nfs/dbraw/zinc/33/87/76/680338776.db2.gz SNGAENWPPUVQDF-SJORKVTESA-N 1 0 366.893 2.221 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2csnc2OC)C1 ZINC001026849768 680350181 /nfs/dbraw/zinc/35/01/81/680350181.db2.gz FDFHJIVCOMOHRX-IMJJTQAJSA-N 1 0 365.499 2.071 20 30 FEEDRO C=C(C)C[NH+]1CCC([C@H](C)NC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)CC1 ZINC000997644082 680361278 /nfs/dbraw/zinc/36/12/78/680361278.db2.gz QLKCQTWXTBECEP-CFVMTHIKSA-N 1 0 364.408 2.126 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC(C[NH2+]Cc2nnc(C)s2)CC1 ZINC000998148400 680377820 /nfs/dbraw/zinc/37/78/20/680377820.db2.gz QBURJKUJUSCFLH-RDJZCZTQSA-N 1 0 364.515 2.156 20 30 FEEDRO C[N@H+](CCCNc1cccc(S(N)(=O)=O)c1C#N)C1CCCCC1 ZINC000754978113 680391242 /nfs/dbraw/zinc/39/12/42/680391242.db2.gz CZELLMMAJWPWIV-UHFFFAOYSA-N 1 0 350.488 2.272 20 30 FEEDRO N#Cc1c(NCCCCC[NH+]2CCCCC2)cccc1S(N)(=O)=O ZINC000755005149 680393512 /nfs/dbraw/zinc/39/35/12/680393512.db2.gz ONMZMOATBQMZDD-UHFFFAOYSA-N 1 0 350.488 2.274 20 30 FEEDRO CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CCN(Cc3ccc(C#N)s3)C2)CC[N@@H+]1C ZINC001033095756 680418098 /nfs/dbraw/zinc/41/80/98/680418098.db2.gz DSRMMEBCMQREER-JCGIZDLHSA-N 1 0 360.527 2.383 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1csnc1OC ZINC001034941974 680441311 /nfs/dbraw/zinc/44/13/11/680441311.db2.gz SFYROYQJLPHULN-OAGGEKHMSA-N 1 0 365.499 2.214 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)NCC1CC[NH+](C[C@H](OC)C2CCC2)CC1 ZINC001001853086 680478865 /nfs/dbraw/zinc/47/88/65/680478865.db2.gz ZHEOHNZSFYUCQZ-QYZOEREBSA-N 1 0 350.503 2.221 20 30 FEEDRO C#CC[N@H+]1CCC[C@H]1COC(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC000756542381 680484256 /nfs/dbraw/zinc/48/42/56/680484256.db2.gz IBYKKVLAEPKYSR-YOEHRIQHSA-N 1 0 360.841 2.334 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)Nc2nc(C(C)(C)C(=O)OC)cs2)CC1 ZINC000836670471 680497142 /nfs/dbraw/zinc/49/71/42/680497142.db2.gz XFQZOAREDKRRIP-UHFFFAOYSA-N 1 0 366.487 2.366 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)[C@H](C)[C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000756841034 680501308 /nfs/dbraw/zinc/50/13/08/680501308.db2.gz GDRPMLQFOULIQZ-HUUCEWRRSA-N 1 0 351.491 2.140 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CC[NH+](C[C@H]2CC(C)(C)CO2)CC1 ZINC001003788239 680541950 /nfs/dbraw/zinc/54/19/50/680541950.db2.gz MJXMJXPUHAMTPC-SQNIBIBYSA-N 1 0 350.503 2.363 20 30 FEEDRO C=C(Cl)C[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2C[C@@H](C)CC(=O)N2)CC1 ZINC001004442523 680556334 /nfs/dbraw/zinc/55/63/34/680556334.db2.gz MWKNAKCCVXAISG-XYPHTWIQSA-N 1 0 367.921 2.357 20 30 FEEDRO C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H](C)[C@H](Nc3snc(Cl)c3C#N)C2)C1 ZINC001043517067 680585326 /nfs/dbraw/zinc/58/53/26/680585326.db2.gz JZAMVIMTSPVKQA-NQBHXWOUSA-N 1 0 367.906 2.269 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC2(CO1)CC[NH+](CCCC)CC2 ZINC001045678307 680638007 /nfs/dbraw/zinc/63/80/07/680638007.db2.gz QCOUTLHLGXBKEU-KURKYZTESA-N 1 0 350.503 2.365 20 30 FEEDRO Cc1nsc(N[C@@H]2CC[C@H](CNC(=O)C34CC[NH+](CC3)C4)C2)c1C#N ZINC001047356782 680660936 /nfs/dbraw/zinc/66/09/36/680660936.db2.gz OKYUUBOSSSDVON-UONOGXRCSA-N 1 0 359.499 2.116 20 30 FEEDRO CCOC(=O)c1c2ccccc2sc1NC(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000841159981 680866687 /nfs/dbraw/zinc/86/66/87/680866687.db2.gz OPFVWKCDZVQSHG-CMPLNLGQSA-N 1 0 358.423 2.311 20 30 FEEDRO C[NH+](C)CCCNC(=S)NN=C1CCC(C(=O)OC(C)(C)C)CC1 ZINC000768362664 680945048 /nfs/dbraw/zinc/94/50/48/680945048.db2.gz PLYMSGARAIZVKW-UHFFFAOYSA-N 1 0 356.536 2.290 20 30 FEEDRO COCC[NH+]=C(NCc1cc(OC)c(OC)c(OC)c1)NC(C)(C)C ZINC000912506649 685388722 /nfs/dbraw/zinc/38/87/22/685388722.db2.gz SAJYBRDTXZEDQX-UHFFFAOYSA-N 1 0 353.463 2.193 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@H](C[NH2+]Cc2ccc(Cl)s2)C1 ZINC001051834575 681069620 /nfs/dbraw/zinc/06/96/20/681069620.db2.gz QVTIPUGDOLSMKC-YUELXQCFSA-N 1 0 370.902 2.310 20 30 FEEDRO CC(C)C[NH2+]C1(CO)CCN(C(=O)CSc2ccc(C#N)cc2)CC1 ZINC000912591501 685401874 /nfs/dbraw/zinc/40/18/74/685401874.db2.gz QIIVXTLBJKNPGH-UHFFFAOYSA-N 1 0 361.511 2.249 20 30 FEEDRO C=C(Br)CNC(=O)N1CCN(C)C[C@H]1Cc1ccccc1 ZINC000844929274 681093756 /nfs/dbraw/zinc/09/37/56/681093756.db2.gz ONTCTPULJCIUHB-OAHLLOKOSA-N 1 0 352.276 2.463 20 30 FEEDRO C#C[C@H](NC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)[C@@H]1CCCO1 ZINC000773259392 681133365 /nfs/dbraw/zinc/13/33/65/681133365.db2.gz MAWYZXKQBGYANA-SZMVWBNQSA-N 1 0 361.511 2.440 20 30 FEEDRO C[C@@H]1[C@H](C(=O)N2CC[C@@H](N(C)c3snc(Cl)c3C#N)C2)CC[N@@H+]1C ZINC001057053234 681158447 /nfs/dbraw/zinc/15/84/47/681158447.db2.gz ZDQBOBSVMUESHY-IJLUTSLNSA-N 1 0 367.906 2.045 20 30 FEEDRO C[C@@H]1[C@H](C(=O)N2CCCN(c3nc(Cl)c(C#N)s3)CC2)CC[N@@H+]1C ZINC001057248200 681159634 /nfs/dbraw/zinc/15/96/34/681159634.db2.gz BEYLNNWKVDQYHJ-VXGBXAGGSA-N 1 0 367.906 2.047 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)c2cnn3cccc(Br)c23)CC1 ZINC000932141439 681183298 /nfs/dbraw/zinc/18/32/98/681183298.db2.gz ZPAJMIVYPKWCOI-UHFFFAOYSA-N 1 0 363.259 2.477 20 30 FEEDRO C[NH+]1CCC(C#N)(NC(=O)CCc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000932178460 681188938 /nfs/dbraw/zinc/18/89/38/681188938.db2.gz MVNALJKHLFHYLD-UHFFFAOYSA-N 1 0 350.806 2.285 20 30 FEEDRO C[NH2+]C(C)(C)CNC(=O)Nc1ccc(C#N)cc1I ZINC000932553213 681264687 /nfs/dbraw/zinc/26/46/87/681264687.db2.gz LJTUENIUPLAAQQ-UHFFFAOYSA-N 1 0 372.210 2.282 20 30 FEEDRO COc1cccc([C@H](CNC(=O)N[C@H](CC#N)C(F)(F)F)[NH+](C)C)c1 ZINC000932928914 681330213 /nfs/dbraw/zinc/33/02/13/681330213.db2.gz VAQLPHMYWBITDV-UONOGXRCSA-N 1 0 358.364 2.442 20 30 FEEDRO OCCOCC[NH+]1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932945451 681333006 /nfs/dbraw/zinc/33/30/06/681333006.db2.gz XINIVIOSCOYXMH-YUMQZZPRSA-N 1 0 357.241 2.098 20 30 FEEDRO COC(=O)N1CCC[C@H]([C@@H](C)[NH2+]CCC(=O)Nc2sccc2C#N)C1 ZINC000775813129 681338402 /nfs/dbraw/zinc/33/84/02/681338402.db2.gz BKWUKRUWTMFFPZ-OCCSQVGLSA-N 1 0 364.471 2.405 20 30 FEEDRO C[NH+](C)C(C)(C)CNC(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000847292006 681359447 /nfs/dbraw/zinc/35/94/47/681359447.db2.gz KRKLGNYUEYJQDC-UHFFFAOYSA-N 1 0 351.491 2.093 20 30 FEEDRO CON(C)C(=O)[C@H](CCSC)[NH2+][C@H](C)c1ccc(OCC#N)cc1 ZINC000776172186 681369481 /nfs/dbraw/zinc/36/94/81/681369481.db2.gz XRSJUGGKGZFBGC-CJNGLKHVSA-N 1 0 351.472 2.381 20 30 FEEDRO CCC1(CC)CNC(=O)[C@H]1[NH2+]CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000933288455 681388638 /nfs/dbraw/zinc/38/86/38/681388638.db2.gz WESQXXCJNXUFDG-MRXNPFEDSA-N 1 0 362.861 2.435 20 30 FEEDRO C[N@@H+]1CCN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)CC1(C)C ZINC000848035371 681465718 /nfs/dbraw/zinc/46/57/18/681465718.db2.gz SVAGBXNFEDDXDK-CQSZACIVSA-N 1 0 352.479 2.126 20 30 FEEDRO CO[C@@H]1CCOC[C@H]1[NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000934042642 681500152 /nfs/dbraw/zinc/50/01/52/681500152.db2.gz XKXQKOPFTSGQBM-HUUCEWRRSA-N 1 0 363.483 2.221 20 30 FEEDRO Cc1nn(-c2ccc(C)cc2)cc1C=NNC(=S)NCCC[NH+](C)C ZINC000848405479 681536303 /nfs/dbraw/zinc/53/63/03/681536303.db2.gz MGPDQVXZDQLGBU-UHFFFAOYSA-N 1 0 358.515 2.239 20 30 FEEDRO N#Cc1ccc(CN2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)c(Br)c1 ZINC000934263053 681537852 /nfs/dbraw/zinc/53/78/52/681537852.db2.gz ARBLDAYGQVMBAN-IAGOWNOFSA-N 1 0 364.287 2.352 20 30 FEEDRO C=CC1(CC(=O)N(CCC[NH+](C)C)[C@H]2CCS(=O)(=O)C2)CCCCC1 ZINC000934308294 681549280 /nfs/dbraw/zinc/54/92/80/681549280.db2.gz VQJSLZZRHCUAIK-KRWDZBQOSA-N 1 0 370.559 2.480 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCOC2(CC[NH+](CCCC)CC2)C1 ZINC000949095593 681617447 /nfs/dbraw/zinc/61/74/47/681617447.db2.gz RAZKRUYOASASFR-MSOLQXFVSA-N 1 0 350.503 2.461 20 30 FEEDRO CC(C)(C#N)c1ccc(C[NH2+]CCS(=O)(=O)C2CCOCC2)cc1 ZINC000848915217 681641612 /nfs/dbraw/zinc/64/16/12/681641612.db2.gz DVPOLDCASPWNFP-UHFFFAOYSA-N 1 0 350.484 2.171 20 30 FEEDRO C=CC1(CC(=O)N2C[C@@H](C)[N@@H+](C)C[C@H]2C)CN(C(=O)OC(C)(C)C)C1 ZINC000935190306 681707637 /nfs/dbraw/zinc/70/76/37/681707637.db2.gz PWWZFKPULRSYLB-HUUCEWRRSA-N 1 0 351.491 2.351 20 30 FEEDRO C=CC1(CC(=O)N2C[C@@H](C)[N@@H+](C)C[C@@H]2C)CN(C(=O)OC(C)(C)C)C1 ZINC000935190304 681707729 /nfs/dbraw/zinc/70/77/29/681707729.db2.gz PWWZFKPULRSYLB-CABCVRRESA-N 1 0 351.491 2.351 20 30 FEEDRO C=CC1(CC(=O)NCC2([NH+](C)C)CCC2)CN(C(=O)OC(C)(C)C)C1 ZINC000935548411 681772643 /nfs/dbraw/zinc/77/26/43/681772643.db2.gz JWSYUYFLSMTXRY-UHFFFAOYSA-N 1 0 351.491 2.400 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(CC)C1C[NH+](CC[C@@H]2CCCO2)C1 ZINC000952428916 681784264 /nfs/dbraw/zinc/78/42/64/681784264.db2.gz CVUPUXKQNIOKKB-FHWLQOOXSA-N 1 0 350.503 2.460 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)S(=O)(=O)CC1(F)CCC1 ZINC000913928302 685489127 /nfs/dbraw/zinc/48/91/27/685489127.db2.gz ZMCDUCKOZUFVOL-UHFFFAOYSA-N 1 0 353.463 2.144 20 30 FEEDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNS(=O)(=O)Cc2csc(C#N)c2)C1 ZINC000913929361 685489162 /nfs/dbraw/zinc/48/91/62/685489162.db2.gz REGPOGHEKUFBDV-ZIAGYGMSSA-N 1 0 355.529 2.407 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)NCC1CC2(C1)OCCO2)C(C)C ZINC000914127392 685495512 /nfs/dbraw/zinc/49/55/12/685495512.db2.gz GIYQARSNIZGTNA-QGZVFWFLSA-N 1 0 351.491 2.137 20 30 FEEDRO C=CCNS(=O)(=O)c1cccc(C(=O)OCC[C@H]2CCCC[N@H+]2C)c1 ZINC000914424467 685507677 /nfs/dbraw/zinc/50/76/77/685507677.db2.gz GOAXWSXXYSCKNX-MRXNPFEDSA-N 1 0 366.483 2.182 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CC(C[NH2+]Cc2nn(C)cc2Cl)C1 ZINC000962414426 682117955 /nfs/dbraw/zinc/11/79/55/682117955.db2.gz NEEVDBSTXPCCJI-QKRUXVEJSA-N 1 0 366.893 2.039 20 30 FEEDRO C#C[C@H]([NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1)[C@H]1CCCO1 ZINC000784353183 682219381 /nfs/dbraw/zinc/21/93/81/682219381.db2.gz XZGDYBJXRUSMHF-VNQPRFMTSA-N 1 0 372.234 2.098 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2cnc(Br)cn2)CC1 ZINC000917097919 685529619 /nfs/dbraw/zinc/52/96/19/685529619.db2.gz NGOLSKPYVKXOOX-UHFFFAOYSA-N 1 0 368.279 2.079 20 30 FEEDRO C=CCCc1ccc(S(=O)(=O)N2CCC(CO)([NH2+]C(C)C)CC2)cc1 ZINC000917553464 685532894 /nfs/dbraw/zinc/53/28/94/685532894.db2.gz OMPPVXUTBRDUNZ-UHFFFAOYSA-N 1 0 366.527 2.319 20 30 FEEDRO C#CCOCC[N@H+]1CC[C@@]2(C)[C@@H](C1)C2(Br)Br ZINC000852337295 682262887 /nfs/dbraw/zinc/26/28/87/682262887.db2.gz NPNDVXLIXNARKR-MNOVXSKESA-N 1 0 351.082 2.464 20 30 FEEDRO N#Cc1ccc(Br)c(CN2CC[C@H](N3CCOC3=O)C2)c1 ZINC000852437719 682278983 /nfs/dbraw/zinc/27/89/83/682278983.db2.gz FXHZCUOEUSQEEV-ZDUSSCGKSA-N 1 0 350.216 2.347 20 30 FEEDRO C[NH+]1C[C@@]2(C)CN(S(=O)(=O)c3ccc(C#N)c(Cl)c3)C[C@]2(C)C1 ZINC000918352832 685538693 /nfs/dbraw/zinc/53/86/93/685538693.db2.gz WRKLGJWXVSPKEI-HOTGVXAUSA-N 1 0 353.875 2.174 20 30 FEEDRO O=C(C#CC1CC[NH2+]CC1)NCCc1cc(Br)ccc1F ZINC000852820272 682346834 /nfs/dbraw/zinc/34/68/34/682346834.db2.gz TYOAJZWALIOCCZ-UHFFFAOYSA-N 1 0 353.235 2.250 20 30 FEEDRO COc1ccc(Br)cc1CNC(=O)C#CC1CC[NH2+]CC1 ZINC000852824446 682347159 /nfs/dbraw/zinc/34/71/59/682347159.db2.gz BSSBAQJGAHAAGD-UHFFFAOYSA-N 1 0 351.244 2.077 20 30 FEEDRO O=C(C#CC1CC[NH2+]CC1)NCCc1ccc(Br)cc1F ZINC000852837300 682348915 /nfs/dbraw/zinc/34/89/15/682348915.db2.gz SXJKEGVCUWHXLE-UHFFFAOYSA-N 1 0 353.235 2.250 20 30 FEEDRO O=C(C#CC1CC[NH2+]CC1)NCCc1nc(-c2cccc(Cl)c2)no1 ZINC000852840511 682349432 /nfs/dbraw/zinc/34/94/32/682349432.db2.gz PBTOJYIHERLMKK-UHFFFAOYSA-N 1 0 358.829 2.052 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H]([N@H+](C)CCC2CCOCC2)C1 ZINC000972522187 682419156 /nfs/dbraw/zinc/41/91/56/682419156.db2.gz HTVAKEHNVCDOKK-FHWLQOOXSA-N 1 0 350.503 2.317 20 30 FEEDRO C=CC[C@H]1CCC[N@H+](CN2C(=O)C(=O)N(CCc3cccs3)C2=O)C1 ZINC000853536195 682429947 /nfs/dbraw/zinc/42/99/47/682429947.db2.gz OSBOHGUEVKQGOQ-AWEZNQCLSA-N 1 0 361.467 2.327 20 30 FEEDRO C=CCS(=O)(=O)CC[NH2+][C@H]1CCCCC[C@@H]1NC(=O)OC(C)(C)C ZINC000788256957 682514962 /nfs/dbraw/zinc/51/49/62/682514962.db2.gz LBYPAAYLOTYMEH-GJZGRUSLSA-N 1 0 360.520 2.403 20 30 FEEDRO C[NH+](C)CCN(CCCc1ccccc1)S(=O)(=O)CC(C)(C)C#N ZINC000790011888 682646268 /nfs/dbraw/zinc/64/62/68/682646268.db2.gz XRRXKXPDRXLYLR-UHFFFAOYSA-N 1 0 351.516 2.362 20 30 FEEDRO C=CC[C@]1(C(=O)N2CCC[N@@H+](C)CC2)CCCN1C(=O)OC(C)(C)C ZINC000790110058 682656391 /nfs/dbraw/zinc/65/63/91/682656391.db2.gz CPNDHZTVTJWKTB-LJQANCHMSA-N 1 0 351.491 2.496 20 30 FEEDRO C=C(C[NH+](C)C)C(=O)N1CCOC[C@@H]1c1ccc(Br)cc1 ZINC000855735651 682706651 /nfs/dbraw/zinc/70/66/51/682706651.db2.gz FIODEALWNVIFAZ-OAHLLOKOSA-N 1 0 353.260 2.467 20 30 FEEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1Cn1nc(CC#N)n(C)c1=S ZINC000794628559 682985072 /nfs/dbraw/zinc/98/50/72/682985072.db2.gz NPPWNLGLYADMNK-OAHLLOKOSA-N 1 0 356.499 2.181 20 30 FEEDRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)Oc1ccc(C#N)c(C)c1 ZINC000795185255 683026927 /nfs/dbraw/zinc/02/69/27/683026927.db2.gz BOFTVLVMCYMDJF-UHFFFAOYSA-N 1 0 362.455 2.009 20 30 FEEDRO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NC(=O)c3sccc3CC#N)C2)[C@@H]1C(C)C ZINC000926264254 683101027 /nfs/dbraw/zinc/10/10/27/683101027.db2.gz FLGGUFHUHVEJNB-IIHSZXCVSA-N 1 0 361.511 2.414 20 30 FEEDRO C=CC1CC[NH+](CCC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000795907571 683106953 /nfs/dbraw/zinc/10/69/53/683106953.db2.gz DOAINMYBEWTRLL-UHFFFAOYSA-N 1 0 351.491 2.354 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)OCCC2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000859557059 683128022 /nfs/dbraw/zinc/12/80/22/683128022.db2.gz QROAVIXXFVSCEN-UHFFFAOYSA-N 1 0 350.459 2.132 20 30 FEEDRO C#CCCOc1ccc(C[NH2+]C[C@H](N2CCOCC2)C(F)(F)F)cc1 ZINC000796514661 683167284 /nfs/dbraw/zinc/16/72/84/683167284.db2.gz OVBYVMGBFDEFSD-KRWDZBQOSA-N 1 0 356.388 2.441 20 30 FEEDRO N#CCSCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(F)(F)F ZINC000860050517 683194999 /nfs/dbraw/zinc/19/49/99/683194999.db2.gz XADHWWDKYZPUBD-DGAVXFQQSA-N 1 0 361.433 2.364 20 30 FEEDRO C[NH+]1CCC2(CCCN(S(=O)(=O)Cc3cc(C#N)ccc3F)C2)CC1 ZINC000798465997 683353587 /nfs/dbraw/zinc/35/35/87/683353587.db2.gz BRKHJVBRIAKDCE-UHFFFAOYSA-N 1 0 365.474 2.335 20 30 FEEDRO C=CCN1CC[C@H]([NH+]2CCC(CN(C)C(=O)OC(C)(C)C)CC2)C1=O ZINC000799121396 683424206 /nfs/dbraw/zinc/42/42/06/683424206.db2.gz YHGAOUSPJDHUDA-INIZCTEOSA-N 1 0 351.491 2.352 20 30 FEEDRO C#CCN(CC#N)CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000799199750 683435364 /nfs/dbraw/zinc/43/53/64/683435364.db2.gz GESYNTIZMWTBPM-SFHVURJKSA-N 1 0 358.873 2.052 20 30 FEEDRO CCCCCCCNC(=O)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000861655216 683449470 /nfs/dbraw/zinc/44/94/70/683449470.db2.gz HMVGMCUEDXVDNG-IAGOWNOFSA-N 1 0 352.523 2.247 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)c2ccn3cc(C(F)(F)F)nc3c2)CC1 ZINC000928648305 683480976 /nfs/dbraw/zinc/48/09/76/683480976.db2.gz KFCOBTACRHYZED-UHFFFAOYSA-N 1 0 350.344 2.181 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)c2nn(C(C)(C)C)cc2Br)CC1 ZINC000928648948 683481617 /nfs/dbraw/zinc/48/16/17/683481617.db2.gz VVWUPNWIBUTAKL-UHFFFAOYSA-N 1 0 367.291 2.228 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000928654623 683482242 /nfs/dbraw/zinc/48/22/42/683482242.db2.gz JVRIEOOFXNGDIH-UHFFFAOYSA-N 1 0 366.215 2.185 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)CC1 ZINC000928655461 683482295 /nfs/dbraw/zinc/48/22/95/683482295.db2.gz XAIMWKVRGXIBIN-INIZCTEOSA-N 1 0 351.491 2.140 20 30 FEEDRO N#Cc1ccc(Br)c(CNC[C@H]2C[N@@H+]3CCC[C@H]3CO2)c1 ZINC000921691515 683544495 /nfs/dbraw/zinc/54/44/95/683544495.db2.gz YWVMXUJXSZRPKP-GJZGRUSLSA-N 1 0 350.260 2.274 20 30 FEEDRO CN(C)C(=O)[C@@H]1CC[C@H](C[NH2+]Cc2cc(C#N)ccc2Br)O1 ZINC000921966114 683627787 /nfs/dbraw/zinc/62/77/87/683627787.db2.gz CJQDZZIGDVDFBA-HIFRSBDPSA-N 1 0 366.259 2.046 20 30 FEEDRO CC(C)(O)C[N@@H+]1CC[C@H](NCc2cc(C#N)ccc2Br)C1 ZINC000922298580 683694909 /nfs/dbraw/zinc/69/49/09/683694909.db2.gz JAQDKORFSUCUPJ-AWEZNQCLSA-N 1 0 352.276 2.256 20 30 FEEDRO C#CC[C@@H](CCOC)[NH2+]C[C@@]1(O)CCCN(C(=O)OC(C)(C)C)CC1 ZINC000863589927 683747295 /nfs/dbraw/zinc/74/72/95/683747295.db2.gz ZSQBROZTKLDVKL-QFBILLFUSA-N 1 0 354.491 2.157 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)NCCc2cccc(Br)c2)CC1 ZINC000922824317 683788575 /nfs/dbraw/zinc/78/85/75/683788575.db2.gz RDRNOXBZSSTXDX-UHFFFAOYSA-N 1 0 364.287 2.388 20 30 FEEDRO Cc1cc(CNC(=S)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)no1 ZINC000865229227 683952311 /nfs/dbraw/zinc/95/23/11/683952311.db2.gz VHLHXEFZIPYWMZ-UHFFFAOYSA-N 1 0 357.483 2.293 20 30 FEEDRO CC(C)(C)OC(=O)N[C@H](C[NH2+]C1CCN(CC#N)CC1)CC(F)(F)F ZINC000865456622 683985442 /nfs/dbraw/zinc/98/54/42/683985442.db2.gz MKQXWEZUEPEKGP-ZDUSSCGKSA-N 1 0 364.412 2.410 20 30 FEEDRO C[C@H]1CCC[C@@](C#N)(NC(=O)[C@H](C[NH+](C)C)NC(=O)OC(C)(C)C)C1 ZINC000865919272 684045414 /nfs/dbraw/zinc/04/54/14/684045414.db2.gz DDSYGRWEKNJARU-SUNYJGFJSA-N 1 0 352.479 2.030 20 30 FEEDRO CC[NH+](CC)CC1CCN(S(=O)(=O)c2cc(F)cc(C#N)c2)CC1 ZINC000866863306 684170133 /nfs/dbraw/zinc/17/01/33/684170133.db2.gz PZERPUWMEHETNN-UHFFFAOYSA-N 1 0 353.463 2.440 20 30 FEEDRO N#Cc1ccc(CS(=O)(=O)N2C[C@@H](CC[NH3+])Cc3ccccc32)cc1 ZINC000923749594 684346660 /nfs/dbraw/zinc/34/66/60/684346660.db2.gz QWSNBVKQSHHBFH-KRWDZBQOSA-N 1 0 355.463 2.416 20 30 FEEDRO C[N@@H+]1CC[C@H]2CN(S(=O)(=O)c3ccc(C#N)c(C(F)(F)F)c3)CC[C@@H]21 ZINC000867812932 684397444 /nfs/dbraw/zinc/39/74/44/684397444.db2.gz OEIAVHAOZLFXNT-WFASDCNBSA-N 1 0 373.400 2.292 20 30 FEEDRO COC(=O)C[C@@H]1CN(CC(=O)Nc2ccccc2SCC#N)C[C@H]1C ZINC000932106399 684409096 /nfs/dbraw/zinc/40/90/96/684409096.db2.gz GNILHVKUUVSXQJ-ZIAGYGMSSA-N 1 0 361.467 2.372 20 30 FEEDRO COCCN(Cc1cccs1)C(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000867949673 684430999 /nfs/dbraw/zinc/43/09/99/684430999.db2.gz GBQUXBNCTUMCAI-GOSISDBHSA-N 1 0 355.463 2.482 20 30 FEEDRO C=C(C[NH+](C)C)C(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F ZINC000924540608 684466658 /nfs/dbraw/zinc/46/66/58/684466658.db2.gz XDTVJSBSVLMRNW-CYBMUJFWSA-N 1 0 361.433 2.113 20 30 FEEDRO COCCNS(=O)(=O)c1cccc(C[NH2+][C@H](C)CC(C)(C)C#N)c1 ZINC000925093854 684523934 /nfs/dbraw/zinc/52/39/34/684523934.db2.gz STLQJXJNUYIHPR-CQSZACIVSA-N 1 0 353.488 2.029 20 30 FEEDRO CN(C)c1ccc(C(N)=[NH+]OCc2c(Br)cnn2C)cc1 ZINC000871727750 684849723 /nfs/dbraw/zinc/84/97/23/684849723.db2.gz GCSAGNREJXQYRR-UHFFFAOYSA-N 1 0 352.236 2.086 20 30 FEEDRO Cc1cccc(C#N)c1S(=O)(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000871805983 684858703 /nfs/dbraw/zinc/85/87/03/684858703.db2.gz UNKQTUUOFVRVPG-QWHCGFSZSA-N 1 0 361.389 2.015 20 30 FEEDRO C[C@@H](Nc1cc2n(n1)CC[N@H+](C)C2)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000871929264 684884277 /nfs/dbraw/zinc/88/42/77/684884277.db2.gz VZWHAHIBVLJHJA-LLVKDONJSA-N 1 0 358.833 2.293 20 30 FEEDRO N#Cc1ccc([C@@H](O)C[NH2+][C@H]2C[C@H](S(=O)(=O)c3ccccc3)C2)cc1 ZINC000872230072 684929645 /nfs/dbraw/zinc/92/96/45/684929645.db2.gz VRAJIIUCOZBTCW-WDSOQIARSA-N 1 0 356.447 2.186 20 30 FEEDRO N#CC1(C[C@@H](O)C[NH2+][C@H]2COc3cccc(Br)c3C2)CC1 ZINC000872235269 684930316 /nfs/dbraw/zinc/93/03/16/684930316.db2.gz QHSVKYFZQJDEGD-VXGBXAGGSA-N 1 0 351.244 2.397 20 30 FEEDRO N#CC1(C[C@H](O)C[NH2+]Cc2ncc(Br)s2)CCOCC1 ZINC000872240852 684931047 /nfs/dbraw/zinc/93/10/47/684931047.db2.gz VBBNMOATWOJWHZ-JTQLQIEISA-N 1 0 360.277 2.067 20 30 FEEDRO CCn1c(=O)c2ccccc2nc1N=NC1CCC[N@@H+]2CCSC[C@H]12 ZINC000872337605 684937716 /nfs/dbraw/zinc/93/77/16/684937716.db2.gz DDDAFLNUTLOQOX-MRXNPFEDSA-N 1 0 357.483 2.396 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NCCC(=O)Nc1ccc(Br)cc1 ZINC000876607176 686227818 /nfs/dbraw/zinc/22/78/18/686227818.db2.gz QQOVAQHXBHAQPE-LBPRGKRZSA-N 1 0 374.666 2.364 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N1CCCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000876615658 686229031 /nfs/dbraw/zinc/22/90/31/686229031.db2.gz KFPNFHPJDARTBL-HNNXBMFYSA-N 1 0 370.280 2.484 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000876620635 686229668 /nfs/dbraw/zinc/22/96/68/686229668.db2.gz NYWJYPTUFLRXDT-AAEUAGOBSA-N 1 0 366.767 2.031 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H](O)COc1cccc(Cl)c1Cl ZINC000876621101 686229871 /nfs/dbraw/zinc/22/98/71/686229871.db2.gz VLVGFSBWDZMJMN-KOLCDFICSA-N 1 0 367.660 2.319 20 30 FEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCN(c2ncnc3sc(C)cc32)CC1 ZINC000876896364 686289834 /nfs/dbraw/zinc/28/98/34/686289834.db2.gz BFGVWTWQCAKFKU-CYBMUJFWSA-N 1 0 365.890 2.118 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NCc1cccc(COC[C@H]2CCCO2)c1 ZINC000876977896 686303955 /nfs/dbraw/zinc/30/39/55/686303955.db2.gz BXHNTLFKQPSLHO-SJORKVTESA-N 1 0 352.862 2.468 20 30 FEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1cc2c(cc1C(=O)OC)OCCCO2 ZINC000877195133 686338337 /nfs/dbraw/zinc/33/83/37/686338337.db2.gz GJRKVUXZRYAVTN-LLVKDONJSA-N 1 0 354.790 2.043 20 30 FEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@H]1COc2cccc(Br)c2C1 ZINC000877259657 686344319 /nfs/dbraw/zinc/34/43/19/686344319.db2.gz WCUBTELWEROZMD-BXKDBHETSA-N 1 0 359.651 2.339 20 30 FEEDRO C#CCCCCC[N@H+]1CCCN(S(=O)(=O)c2c(C)noc2C)CC1 ZINC000877923977 686483515 /nfs/dbraw/zinc/48/35/15/686483515.db2.gz CEIJQOIWZPYYLD-UHFFFAOYSA-N 1 0 353.488 2.181 20 30 FEEDRO C#CCNC(=O)C1CC[NH+](CC(=O)[C@H]2CC[C@@H](C(F)(F)F)CC2)CC1 ZINC000878018669 686502392 /nfs/dbraw/zinc/50/23/92/686502392.db2.gz MJTIORULZSIIDI-OTVXOJSOSA-N 1 0 358.404 2.386 20 30 FEEDRO C#CC[C@H](CO)NC(=O)Nc1nc2ccc(C[N@@H+](C)C3CC3)cc2s1 ZINC000880093341 686997191 /nfs/dbraw/zinc/99/71/91/686997191.db2.gz SIHDTEPMDWZCKT-CYBMUJFWSA-N 1 0 358.467 2.396 20 30 FEEDRO C[N@H+](CC(=O)NCCC#N)C1(CNC(=O)OC(C)(C)C)CCCCC1 ZINC000880346218 687038835 /nfs/dbraw/zinc/03/88/35/687038835.db2.gz MHYBBPLIEQVKGN-UHFFFAOYSA-N 1 0 352.479 2.176 20 30 FEEDRO CC(C)C[C@@H](C(N)=O)[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000880591097 687064669 /nfs/dbraw/zinc/06/46/69/687064669.db2.gz XOBMUQCHXXCLKB-AWEZNQCLSA-N 1 0 362.499 2.269 20 30 FEEDRO C=CCC[C@H]([NH2+]CCc1ccc(S(=O)(=O)NC)cc1)[C@H]1CCCO1 ZINC000883242427 687593163 /nfs/dbraw/zinc/59/31/63/687593163.db2.gz HCAWNKMNKASLKJ-ZWKOTPCHSA-N 1 0 352.500 2.241 20 30 FEEDRO [NH3+]CCN(CC(F)(F)F)S(=O)(=O)c1ccc(C(F)(F)F)c(F)c1 ZINC000883471792 687640050 /nfs/dbraw/zinc/64/00/50/687640050.db2.gz ZCUIKQWMNMOHDC-UHFFFAOYSA-N 1 0 368.274 2.356 20 30 FEEDRO C=C(C)C[C@H](CO)NC(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000883662851 687696018 /nfs/dbraw/zinc/69/60/18/687696018.db2.gz WMUPJVVBDDXRIH-SHARSMKWSA-N 1 0 363.424 2.418 20 30 FEEDRO N#C[C@H]1C[NH2+]CC12CC(C(=O)N[C@@H]1CCN(c3cccc(Cl)c3)C1)C2 ZINC000884232413 687825416 /nfs/dbraw/zinc/82/54/16/687825416.db2.gz QMNMOHARPWTPGG-RGUMBQAQSA-N 1 0 358.873 2.174 20 30 FEEDRO C#CCN(C(=O)c1sc(-c2cnn(C)c2)nc1C)C1CC[NH+](C)CC1 ZINC000886581224 688279374 /nfs/dbraw/zinc/27/93/74/688279374.db2.gz OGUYAIBFGLDZCH-UHFFFAOYSA-N 1 0 357.483 2.022 20 30 FEEDRO CSc1nccnc1C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000888222340 688565889 /nfs/dbraw/zinc/56/58/89/688565889.db2.gz IDTVYRPSJUZHBM-UHFFFAOYSA-N 1 0 355.467 2.274 20 30 FEEDRO COCCC[NH+]1CCC(NC(=O)Nc2nc(Cl)c(C#N)s2)CC1 ZINC000888411230 688606732 /nfs/dbraw/zinc/60/67/32/688606732.db2.gz QHCIMDMEKOASOE-UHFFFAOYSA-N 1 0 357.867 2.291 20 30 FEEDRO C=C(C[NH+](C)C)C(=O)NCC1(c2ccccc2)CC(O)(C(F)(F)F)C1 ZINC000890577874 688938332 /nfs/dbraw/zinc/93/83/32/688938332.db2.gz ZIPBADVMZGDWDM-UHFFFAOYSA-N 1 0 356.388 2.246 20 30 FEEDRO C[C@@H]1C[N@H+](CCCOC(=O)c2cnc(C(F)(F)F)c(C#N)c2)CCO1 ZINC000893384894 689340279 /nfs/dbraw/zinc/34/02/79/689340279.db2.gz AYZSHUVVPSTJKZ-LLVKDONJSA-N 1 0 357.332 2.240 20 30 FEEDRO C#C[C@H]([NH2+]C1CCN(S(C)(=O)=O)CC1)c1ccc(Br)cc1 ZINC000894870935 689611791 /nfs/dbraw/zinc/61/17/91/689611791.db2.gz QEYVFTMMNZDSSG-HNNXBMFYSA-N 1 0 371.300 2.137 20 30 FEEDRO N#Cc1cc(F)c(N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)cc1Br ZINC000897218491 689989567 /nfs/dbraw/zinc/98/95/67/689989567.db2.gz DICAWGLXNVRFFC-CABCVRRESA-N 1 0 368.250 2.495 20 30 FEEDRO N#Cc1cc(F)c(N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)cc1Br ZINC000897218493 689989585 /nfs/dbraw/zinc/98/95/85/689989585.db2.gz DICAWGLXNVRFFC-HUUCEWRRSA-N 1 0 368.250 2.495 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)NCc1nc(C#N)cs1 ZINC000897299045 690002250 /nfs/dbraw/zinc/00/22/50/690002250.db2.gz RWMZFKXHHLHPOB-UHFFFAOYSA-N 1 0 361.446 2.427 20 30 FEEDRO C#CCOc1ccc(C[NH2+]Cc2cccc(N(C)S(C)(=O)=O)c2)cc1 ZINC000898287082 690154897 /nfs/dbraw/zinc/15/48/97/690154897.db2.gz QLEVMCGSZHPXSA-UHFFFAOYSA-N 1 0 358.463 2.384 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)NCC(=O)Nc1ccc(Br)cc1 ZINC000900271564 690493493 /nfs/dbraw/zinc/49/34/93/690493493.db2.gz CILRUANYHHKVTA-UHFFFAOYSA-N 1 0 354.248 2.012 20 30 FEEDRO C[C@@H](NC(=O)c1c(Cl)cc(C#N)cc1Cl)[C@H]1C[N@H+](C)CCN1C ZINC000900801171 690563990 /nfs/dbraw/zinc/56/39/90/690563990.db2.gz BJENEGDEFYUZII-QMTHXVAHSA-N 1 0 355.269 2.229 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C12CCOCC2 ZINC000903180094 690862216 /nfs/dbraw/zinc/86/22/16/690862216.db2.gz XHPOGBZLNUBMJK-QKPAOTATSA-N 1 0 352.475 2.382 20 30 FEEDRO Cc1cc(C#N)cc(C)c1CS(=O)(=O)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000903522249 690910235 /nfs/dbraw/zinc/91/02/35/690910235.db2.gz QTXKLEREBQOFRE-HKUYNNGSSA-N 1 0 361.511 2.469 20 30 FEEDRO CC[C@@](O)(C[NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O)C(F)(F)F ZINC000905202432 691079489 /nfs/dbraw/zinc/07/94/89/691079489.db2.gz LQLMKVALERDGQW-GOEBONIOSA-N 1 0 355.360 2.347 20 30 FEEDRO CCO[C@@H](CNS(=O)(=O)c1c(C#N)sc2ccccc21)C[NH+](C)C ZINC000907429608 691479870 /nfs/dbraw/zinc/47/98/70/691479870.db2.gz VZRZTKNWPAGGIE-LBPRGKRZSA-N 1 0 367.496 2.018 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)CSc1nccn1Cc1ccccc1 ZINC000908436851 691679027 /nfs/dbraw/zinc/67/90/27/691679027.db2.gz XQCFILVHAWHALF-UHFFFAOYSA-N 1 0 356.495 2.095 20 30 FEEDRO C#C[C@@H](NC(=O)C[C@]1(O)CCC[N@@H+](C)C1)c1ccc(Br)cc1 ZINC000908516397 691692443 /nfs/dbraw/zinc/69/24/43/691692443.db2.gz IELVHSFCGWCDLF-NVXWUHKLSA-N 1 0 365.271 2.086 20 30 FEEDRO C=C(C)Cn1c(-c2cnsn2)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000909316412 691806274 /nfs/dbraw/zinc/80/62/74/691806274.db2.gz HIMVFSYPWVBXFI-AWEZNQCLSA-N 1 0 359.503 2.437 20 30 FEEDRO N#Cc1c(Cl)nc(C(F)(F)N2C[C@@H]3C[C@]3([NH3+])C2)nc1C(F)(F)F ZINC001164422075 718888967 /nfs/dbraw/zinc/88/89/67/718888967.db2.gz ZQDIDVNOIDOESD-RRAGMBSWSA-N 1 0 353.682 2.103 20 30 FEEDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncc(Cl)nc1C#N)C2 ZINC001164812744 720085893 /nfs/dbraw/zinc/08/58/93/720085893.db2.gz ROASWTDHFIDTJJ-KSSFIOAISA-N 1 0 361.877 2.186 20 30 FEEDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(OC)c(C#N)cc1F)C2 ZINC001164814386 720157993 /nfs/dbraw/zinc/15/79/93/720157993.db2.gz FYRNBHCHXHZGGE-OXJNMPFZSA-N 1 0 374.460 2.286 20 30 FEEDRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(OC)c(C#N)cc1F)C2 ZINC001164814390 720158788 /nfs/dbraw/zinc/15/87/88/720158788.db2.gz FYRNBHCHXHZGGE-UZLBHIALSA-N 1 0 374.460 2.286 20 30 FEEDRO N#Cc1ccc([N+](=O)[O-])c(N2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)n1 ZINC001164725996 720380212 /nfs/dbraw/zinc/38/02/12/720380212.db2.gz OIQILEPZNHGSLZ-JKSUJKDBSA-N 1 0 350.382 2.110 20 30 FEEDRO COc1nc(N2CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)c(F)cc1C#N ZINC001164732872 720428674 /nfs/dbraw/zinc/42/86/74/720428674.db2.gz OTPPMUFDCIYNOC-IAGOWNOFSA-N 1 0 353.401 2.349 20 30 FEEDRO Cc1nc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)c(Cl)cc1C#N ZINC001164743548 720803772 /nfs/dbraw/zinc/80/37/72/720803772.db2.gz GUAWFLZFJPTIGE-GJZGRUSLSA-N 1 0 370.844 2.047 20 30 FEEDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1nc(C#N)ccc1[N+](=O)[O-])[C@H]2C ZINC001164856131 720958718 /nfs/dbraw/zinc/95/87/18/720958718.db2.gz ASSFXOTYKVCCOU-ZDUSSCGKSA-N 1 0 369.429 2.479 20 30 FEEDRO N#Cc1cc(Cl)nc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)c1 ZINC001164867942 721039801 /nfs/dbraw/zinc/03/98/01/721039801.db2.gz LDJSIMYTKWMVNQ-DLBZAZTESA-N 1 0 369.856 2.481 20 30 FEEDRO Cc1cc(C#N)c(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)nc1C ZINC001164865963 721075628 /nfs/dbraw/zinc/07/56/28/721075628.db2.gz QLFJPBSOLTZPTQ-UXHICEINSA-N 1 0 363.465 2.445 20 30 FEEDRO N#Cc1cc(Cl)cc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164865715 721076770 /nfs/dbraw/zinc/07/67/70/721076770.db2.gz OUXJGDNWONJHOG-QZTJIDSGSA-N 1 0 369.856 2.481 20 30 FEEDRO Cc1cc(C#N)c(N2C[C@@H]3C[N@H+](Cc4cnn(C)c4)CC[C@@H]3C2)nc1C ZINC001164764242 721112240 /nfs/dbraw/zinc/11/22/40/721112240.db2.gz HLRLWWOUKOROGR-MJGOQNOKSA-N 1 0 350.470 2.262 20 30 FEEDRO Cc1ccnc(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)c1C#N ZINC001164884473 721387659 /nfs/dbraw/zinc/38/76/59/721387659.db2.gz BEQTWEOWAPSUSM-GHTZIAJQSA-N 1 0 369.513 2.027 20 30 FEEDRO Cc1ccc(N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)nc1C#N ZINC001164883566 721407484 /nfs/dbraw/zinc/40/74/84/721407484.db2.gz AWIJFFUCFUJLJQ-WIYYLYMNSA-N 1 0 369.513 2.027 20 30 FEEDRO C[C@H](NC(=O)CNc1ccc(C#N)cn1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000490834398 887340176 /nfs/dbraw/zinc/34/01/76/887340176.db2.gz MLSRXPMRKGVGKW-LPHOPBHVSA-N 1 0 363.465 2.392 20 30 FEEDRO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)CC(=O)NC(C)(C)C ZINC000028900311 539839117 /nfs/dbraw/zinc/83/91/17/539839117.db2.gz ZFUSKFVZXBWRCH-UHFFFAOYSA-N 1 0 362.499 2.284 20 30 FEEDRO C=CCNC(=O)c1ccc(NC(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000048159964 540348266 /nfs/dbraw/zinc/34/82/66/540348266.db2.gz VNOZRYXUOMYPMI-HZPDHXFCSA-N 1 0 374.485 2.223 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)c2c(C)nn(C)c2Br)CC1 ZINC000801091576 674101387 /nfs/dbraw/zinc/10/13/87/674101387.db2.gz BCZQLDFHAGBBQR-UHFFFAOYSA-N 1 0 355.280 2.261 20 30 FEEDRO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCC[C@H](C2OCCO2)C1 ZINC000076294529 542256202 /nfs/dbraw/zinc/25/62/02/542256202.db2.gz LYJGNKQLCDXLQQ-IRXDYDNUSA-N 1 0 357.454 2.407 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(F)cc1)S(=O)(=O)c1cccc(C#N)c1 ZINC000055279602 540642918 /nfs/dbraw/zinc/64/29/18/540642918.db2.gz YDYUDASDCSFXGP-UHFFFAOYSA-N 1 0 361.442 2.450 20 30 FEEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)S(=O)(=O)c1cccc(F)c1 ZINC000065975223 541276163 /nfs/dbraw/zinc/27/61/63/541276163.db2.gz QLNGKQSLPDGAPB-UHFFFAOYSA-N 1 0 361.442 2.450 20 30 FEEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)S(=O)(=O)c1cccc(C#N)c1 ZINC000065975213 541276215 /nfs/dbraw/zinc/27/62/15/541276215.db2.gz WKFRVAANQPBSMN-UHFFFAOYSA-N 1 0 368.462 2.182 20 30 FEEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000065975230 541276233 /nfs/dbraw/zinc/27/62/33/541276233.db2.gz KSAAMMPFAUNBJK-UHFFFAOYSA-N 1 0 368.462 2.182 20 30 FEEDRO C[NH+]1CCC(CNC(=O)CCC(=O)N(CCC#N)c2ccccc2)CC1 ZINC000066622793 541348736 /nfs/dbraw/zinc/34/87/36/541348736.db2.gz VGTCSJLFGDNMIG-UHFFFAOYSA-N 1 0 356.470 2.171 20 30 FEEDRO C=CCOc1cccc(NC(=O)C(=O)N2CC[NH+](C3CCCC3)CC2)c1 ZINC000067368526 541450402 /nfs/dbraw/zinc/45/04/02/541450402.db2.gz GHDXDNSPOZSFEF-UHFFFAOYSA-N 1 0 357.454 2.277 20 30 FEEDRO C=C(C)COc1cccc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000067524875 541474938 /nfs/dbraw/zinc/47/49/38/541474938.db2.gz KUKKPRQCOUKDNZ-HNNXBMFYSA-N 1 0 357.454 2.181 20 30 FEEDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2cccc(OCCCC#N)c2)C1 ZINC000067781836 541512888 /nfs/dbraw/zinc/51/28/88/541512888.db2.gz IOFFOUAJFGVGRF-INIZCTEOSA-N 1 0 372.469 2.154 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1ccc2c(c1)NC(=O)CCS2 ZINC000068239655 541566892 /nfs/dbraw/zinc/56/68/92/541566892.db2.gz KEFJCGBCDNCQDC-UHFFFAOYSA-N 1 0 360.483 2.428 20 30 FEEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1COc2ccccc2O1 ZINC000068309833 541574935 /nfs/dbraw/zinc/57/49/35/541574935.db2.gz SEVTWQHPHZZHHE-HXUWFJFHSA-N 1 0 365.433 2.288 20 30 FEEDRO C[NH+](C)C1(CNC(=O)C(=O)Nc2cccc(OCCCC#N)c2)CCCC1 ZINC000070723733 541738784 /nfs/dbraw/zinc/73/87/84/541738784.db2.gz SNIDRVATCNNZTA-UHFFFAOYSA-N 1 0 372.469 2.298 20 30 FEEDRO N#CCCCOc1cccc(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC000071108728 541764178 /nfs/dbraw/zinc/76/41/78/541764178.db2.gz MFTAXPGXNNZIPK-ZWKOTPCHSA-N 1 0 370.453 2.051 20 30 FEEDRO C=CCN1C(=O)c2ccc(C(=O)NCCC[NH+]3CCCCCC3)cc2C1=O ZINC000072495789 541823069 /nfs/dbraw/zinc/82/30/69/541823069.db2.gz HEJLYHQVDYDPTJ-UHFFFAOYSA-N 1 0 369.465 2.465 20 30 FEEDRO CC[NH+](CC)[C@H]1CCN(CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1 ZINC000072835567 541877367 /nfs/dbraw/zinc/87/73/67/541877367.db2.gz XJLKVIWQBPFWOS-SFHVURJKSA-N 1 0 366.469 2.099 20 30 FEEDRO CO/N=C(/C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1)c1ccco1 ZINC000073108011 541919096 /nfs/dbraw/zinc/91/90/96/541919096.db2.gz GTZAKDWXTZBHFR-DYTRJAOYSA-N 1 0 354.410 2.092 20 30 FEEDRO CC[NH+](CC)CCOC1CCN(C(=O)CNc2ccc(C#N)cc2)CC1 ZINC000073246600 541934169 /nfs/dbraw/zinc/93/41/69/541934169.db2.gz QJRJNICAACBLHC-UHFFFAOYSA-N 1 0 358.486 2.320 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1nc2ccccc2c(=O)[nH]1)C(C)C ZINC000074273911 542062516 /nfs/dbraw/zinc/06/25/16/542062516.db2.gz UZEBNKSLMLOLTC-KRWDZBQOSA-N 1 0 354.454 2.352 20 30 FEEDRO N#Cc1ccc(OC[C@@H](O)C[N@@H+](CCO)[C@@H]2CCc3ccccc32)cc1 ZINC000074311536 542067575 /nfs/dbraw/zinc/06/75/75/542067575.db2.gz LBLTZYWNBLPHMY-GHTZIAJQSA-N 1 0 352.434 2.280 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000074655352 542106957 /nfs/dbraw/zinc/10/69/57/542106957.db2.gz TUPVVEGXVWVSBY-MRXNPFEDSA-N 1 0 350.532 2.329 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(C)cc2OCCC)CC1 ZINC000076513072 542288061 /nfs/dbraw/zinc/28/80/61/542288061.db2.gz ADNCIRYHLCMRCJ-UHFFFAOYSA-N 1 0 359.470 2.489 20 30 FEEDRO C=CCCC[N@@H+](C)CC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000076736782 542319614 /nfs/dbraw/zinc/31/96/14/542319614.db2.gz UAAKUZKENKTRQR-UHFFFAOYSA-N 1 0 365.499 2.308 20 30 FEEDRO COc1cc(C#N)ccc1OCC[N@@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000077286572 542361589 /nfs/dbraw/zinc/36/15/89/542361589.db2.gz KQFHGJFVBLVAKN-SFHVURJKSA-N 1 0 359.470 2.132 20 30 FEEDRO COc1ccc(C#N)cc1NC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000077438094 542381766 /nfs/dbraw/zinc/38/17/66/542381766.db2.gz WIUSKTZFWMALNW-OAHLLOKOSA-N 1 0 358.442 2.189 20 30 FEEDRO CC1CC[NH+](CCCCNC(=O)C(=O)Nc2ccc(F)c(C#N)c2)CC1 ZINC000077538946 542394577 /nfs/dbraw/zinc/39/45/77/542394577.db2.gz XDNWRIRRJHNRLX-UHFFFAOYSA-N 1 0 360.433 2.264 20 30 FEEDRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)NC1CCN(CC#N)CC1 ZINC000077567492 542398444 /nfs/dbraw/zinc/39/84/44/542398444.db2.gz YTBYWJLRLNUVJR-SFHVURJKSA-N 1 0 369.513 2.280 20 30 FEEDRO C#CCN(Cc1ccc(F)cc1)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000077671165 542406397 /nfs/dbraw/zinc/40/63/97/542406397.db2.gz VLPPKUPOYCKKEY-GOSISDBHSA-N 1 0 373.472 2.471 20 30 FEEDRO C[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2cccc(C#Cc3ccccc3)c2)C1 ZINC000077817564 542423558 /nfs/dbraw/zinc/42/35/58/542423558.db2.gz YEDLSKYABGSNBE-LJQANCHMSA-N 1 0 361.445 2.093 20 30 FEEDRO C[C@@H]1CCCC[N@@H+]1CCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000156200606 545607893 /nfs/dbraw/zinc/60/78/93/545607893.db2.gz LYGGVXBZRNQJTC-CYBMUJFWSA-N 1 0 366.443 2.009 20 30 FEEDRO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H](OCCCc2ccccc2)C1 ZINC000079503392 542523694 /nfs/dbraw/zinc/52/36/94/542523694.db2.gz JRQQFSXLHZLUNI-WMZOPIPTSA-N 1 0 359.470 2.110 20 30 FEEDRO COc1ccccc1CN(C)C(=O)CO[NH+]=C(N)c1ccc(N(C)C)cc1 ZINC000079863161 542545684 /nfs/dbraw/zinc/54/56/84/542545684.db2.gz VUZBYMPBSAESRE-UHFFFAOYSA-N 1 0 370.453 2.057 20 30 FEEDRO C=CCOCCCC(=O)Nc1ccccc1C[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000079862166 542545821 /nfs/dbraw/zinc/54/58/21/542545821.db2.gz FTYPBEANDQYLMI-QGZVFWFLSA-N 1 0 359.470 2.305 20 30 FEEDRO C[C@H](C#N)CN(C)C(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000080077539 542562880 /nfs/dbraw/zinc/56/28/80/542562880.db2.gz PCRAJYMPHPIGAF-GOSISDBHSA-N 1 0 357.502 2.390 20 30 FEEDRO CC(C)CC[NH+]1CCC(CNc2ccc(S(N)(=O)=O)cc2C#N)CC1 ZINC000080248756 542578476 /nfs/dbraw/zinc/57/84/76/542578476.db2.gz BTXQNMROCDEADW-UHFFFAOYSA-N 1 0 364.515 2.376 20 30 FEEDRO CCC[NH+]1CCC(NC(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)CC1 ZINC000080457894 542590300 /nfs/dbraw/zinc/59/03/00/542590300.db2.gz HIYMAYYUXVSEHF-HXUWFJFHSA-N 1 0 369.513 2.280 20 30 FEEDRO COc1ccc([C@H](CNC(=O)c2cc(C#N)cn2C)[NH+]2CCCC2)cc1 ZINC000080940476 542617194 /nfs/dbraw/zinc/61/71/94/542617194.db2.gz WIXJEHPNJRYCTO-IBGZPJMESA-N 1 0 352.438 2.472 20 30 FEEDRO C[NH+]=C(NCc1nc(C(C)(C)C)cs1)N1CCC(C(=O)OC)CC1 ZINC000086280122 542734994 /nfs/dbraw/zinc/73/49/94/542734994.db2.gz ZAYNZBHKFMLDST-UHFFFAOYSA-N 1 0 352.504 2.401 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)NCc2ccc(C)cc2OCCOCC)CC1 ZINC000087453101 542745348 /nfs/dbraw/zinc/74/53/48/542745348.db2.gz AGDXQFFEJKBSIT-UHFFFAOYSA-N 1 0 358.482 2.372 20 30 FEEDRO C[NH+]=C(NCC1(C(=O)N(C)C)CCCC1)N[C@@H]1CCOc2ccccc21 ZINC000088869307 542758045 /nfs/dbraw/zinc/75/80/45/542758045.db2.gz BJBSMGYNRRLJCE-MRXNPFEDSA-N 1 0 358.486 2.324 20 30 FEEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1CCC[C@@H]([C@H](C)O)C1 ZINC000089931533 542775166 /nfs/dbraw/zinc/77/51/66/542775166.db2.gz NMPODYQEPUJJPK-YESZJQIVSA-N 1 0 359.470 2.423 20 30 FEEDRO O=C(C#Cc1ccc2c(c1)OCO2)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000090144541 542783056 /nfs/dbraw/zinc/78/30/56/542783056.db2.gz IDPVJBHLYLTXCI-UHFFFAOYSA-N 1 0 363.417 2.195 20 30 FEEDRO CCOc1cccc(C[N@@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)c1O ZINC000091936667 542833290 /nfs/dbraw/zinc/83/32/90/542833290.db2.gz UMANLPCNMLHNNA-AWEZNQCLSA-N 1 0 353.426 2.163 20 30 FEEDRO CCNS(=O)(=O)c1ccc(CNC(=[NH2+])NC2CCCCCC2)cc1 ZINC000092278607 542853126 /nfs/dbraw/zinc/85/31/26/542853126.db2.gz GGQXHUWAAUJMGL-UHFFFAOYSA-N 1 0 352.504 2.112 20 30 FEEDRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)S(=O)(=O)CCCC#N ZINC000092335220 542857788 /nfs/dbraw/zinc/85/77/88/542857788.db2.gz LUGYKZKFLBEQLZ-UHFFFAOYSA-N 1 0 350.488 2.253 20 30 FEEDRO CC[NH+](CC)CCNC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000092147981 542846822 /nfs/dbraw/zinc/84/68/22/542846822.db2.gz OHAJSRRWUUMKSA-UHFFFAOYSA-N 1 0 359.474 2.284 20 30 FEEDRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(Cc2cccc(OCCCC#N)c2)CC1 ZINC000093821056 542942785 /nfs/dbraw/zinc/94/27/85/542942785.db2.gz LZZKMZUSVADJAG-HXUWFJFHSA-N 1 0 370.497 2.108 20 30 FEEDRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(Cc2cccc(OCCCC#N)c2)CC1 ZINC000093821057 542942814 /nfs/dbraw/zinc/94/28/14/542942814.db2.gz LZZKMZUSVADJAG-FQEVSTJZSA-N 1 0 370.497 2.108 20 30 FEEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000097178334 543006793 /nfs/dbraw/zinc/00/67/93/543006793.db2.gz RDXBHSNLWOYBLH-UHFFFAOYSA-N 1 0 373.501 2.493 20 30 FEEDRO CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCC(C(=O)Nc2ccc(F)cc2)CC1 ZINC000101916963 543049411 /nfs/dbraw/zinc/04/94/11/543049411.db2.gz OXBGAMSOHWLZTR-OAHLLOKOSA-N 1 0 374.460 2.484 20 30 FEEDRO CC[NH+](CC)CCCNC(=O)N1CCN(c2ccc(C#N)cc2F)CC1 ZINC000101768797 543044523 /nfs/dbraw/zinc/04/45/23/543044523.db2.gz XPHJVHJBQGLKPG-UHFFFAOYSA-N 1 0 361.465 2.261 20 30 FEEDRO CCCCNC(=[NH2+])NCCc1ccc(S(=O)(=O)N(CC)CC)s1 ZINC000104193990 543126291 /nfs/dbraw/zinc/12/62/91/543126291.db2.gz XQKFLBLSTCHXSI-UHFFFAOYSA-N 1 0 360.549 2.026 20 30 FEEDRO CC[NH+](CC)CCN(CCOC)S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000104752089 543141584 /nfs/dbraw/zinc/14/15/84/543141584.db2.gz AKJPQEJEOIKQLD-UHFFFAOYSA-N 1 0 373.906 2.191 20 30 FEEDRO Cc1nc(C)n(C[C@@H]2CCC[N@@H+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C2)n1 ZINC000106181789 543214232 /nfs/dbraw/zinc/21/42/32/543214232.db2.gz ROKAAHADCVGOJA-YJLNNSPDSA-N 1 0 360.506 2.050 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)CCCc2ccc3[nH]c(=O)[nH]c3c2)CC1 ZINC000106774781 543246179 /nfs/dbraw/zinc/24/61/79/543246179.db2.gz QCCBJENOLZMIAV-UHFFFAOYSA-N 1 0 356.470 2.336 20 30 FEEDRO N#Cc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)cc1Cl ZINC000106786627 543246773 /nfs/dbraw/zinc/24/67/73/543246773.db2.gz OJRHOSRIYQVHFA-CQSZACIVSA-N 1 0 360.845 2.283 20 30 FEEDRO C[N@@H+]1CCC[C@H](CNS(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)C1 ZINC000108406662 543289489 /nfs/dbraw/zinc/28/94/89/543289489.db2.gz LPLFLFMPNLGVFF-GFCCVEGCSA-N 1 0 361.389 2.197 20 30 FEEDRO C=CCN(CC=C)C(=O)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000108579007 543295376 /nfs/dbraw/zinc/29/53/76/543295376.db2.gz QRGVXBGVNGHRTN-IBGZPJMESA-N 1 0 370.497 2.268 20 30 FEEDRO C[C@H](NC(=O)C1(C#N)CCOCC1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000109142222 543315782 /nfs/dbraw/zinc/31/57/82/543315782.db2.gz SLMPRNLHCQLYPZ-HNNXBMFYSA-N 1 0 374.460 2.075 20 30 FEEDRO CNC(=O)[C@H]1CCC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)C1 ZINC000111267320 543390845 /nfs/dbraw/zinc/39/08/45/543390845.db2.gz GSDPJQVVGBUSLC-ZDUSSCGKSA-N 1 0 374.510 2.285 20 30 FEEDRO C[C@@H](CNS(=O)(=O)c1ccc(F)c(C#N)c1)[N@H+](C)Cc1ccccc1 ZINC000111348321 543397995 /nfs/dbraw/zinc/39/79/95/543397995.db2.gz ARJICARJCSZSGB-AWEZNQCLSA-N 1 0 361.442 2.496 20 30 FEEDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)CNC(=O)c2ccc(C#N)cc2)C1 ZINC000111633578 543409795 /nfs/dbraw/zinc/40/97/95/543409795.db2.gz FFVZYCGXQDJEGP-MRXNPFEDSA-N 1 0 370.497 2.305 20 30 FEEDRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)CNC(=O)c2ccc(C#N)cc2)C1 ZINC000111633580 543409820 /nfs/dbraw/zinc/40/98/20/543409820.db2.gz FFVZYCGXQDJEGP-INIZCTEOSA-N 1 0 370.497 2.305 20 30 FEEDRO N#Cc1ccc(NCCCC[NH+]2CCN(CCO)CC2)cc1C(F)(F)F ZINC000114450875 543516587 /nfs/dbraw/zinc/51/65/87/543516587.db2.gz ACZPJWLBPRUGJX-UHFFFAOYSA-N 1 0 370.419 2.379 20 30 FEEDRO N#Cc1ccc(NC(=O)C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)cc1 ZINC000114843290 543540255 /nfs/dbraw/zinc/54/02/55/543540255.db2.gz CMQAHNPWQCXLLW-LJQANCHMSA-N 1 0 362.433 2.278 20 30 FEEDRO COc1ccc(COCCC[NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)cc1 ZINC000115599262 543577585 /nfs/dbraw/zinc/57/75/85/543577585.db2.gz IULWTISTVSPJME-IBGZPJMESA-N 1 0 353.422 2.290 20 30 FEEDRO CCN(CC)c1ccc(/C=[NH+]/[C@H]2CCN(c3cnn(C)c3)C2=O)c(O)c1 ZINC000117544849 543635087 /nfs/dbraw/zinc/63/50/87/543635087.db2.gz ROSRNXGXDYRBRS-PBGVMVHZSA-N 1 0 355.442 2.196 20 30 FEEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000118104035 543645051 /nfs/dbraw/zinc/64/50/51/543645051.db2.gz CLUBPKPKCIDEQR-KGLIPLIRSA-N 1 0 360.483 2.230 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)NCC[S@@](=O)Cc2ccccc2)CC1 ZINC000116956703 543620351 /nfs/dbraw/zinc/62/03/51/543620351.db2.gz ADVGXFXRMZBTRB-VWLOTQADSA-N 1 0 363.527 2.275 20 30 FEEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000118898979 543662018 /nfs/dbraw/zinc/66/20/18/543662018.db2.gz YXSRGFOMCATKJQ-GJZGRUSLSA-N 1 0 374.510 2.477 20 30 FEEDRO COc1ccccc1[C@H](C)NC(=O)CO[NH+]=C(N)c1ccc(N(C)C)cc1 ZINC000120367583 543678950 /nfs/dbraw/zinc/67/89/50/543678950.db2.gz MRMIWQVJRGBMAI-AWEZNQCLSA-N 1 0 370.453 2.276 20 30 FEEDRO CSCc1ccc(NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C)cc1 ZINC000122132982 543703863 /nfs/dbraw/zinc/70/38/63/543703863.db2.gz GAPQUTJSTDQSGE-UHFFFAOYSA-N 1 0 362.499 2.182 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)NC[C@H](C)Cc2ccc(OC)c(OC)c2)CC1 ZINC000123524211 543767325 /nfs/dbraw/zinc/76/73/25/543767325.db2.gz FPOYZHHSLDVNDK-MRXNPFEDSA-N 1 0 358.482 2.344 20 30 FEEDRO N#Cc1cccc(S(=O)(=O)NCCNc2ccc3ccccc3n2)c1 ZINC000123524927 543767345 /nfs/dbraw/zinc/76/73/45/543767345.db2.gz CRWBTTMMKSMCKA-UHFFFAOYSA-N 1 0 352.419 2.497 20 30 FEEDRO C[NH+](C)CCOc1cc(CNC(=O)c2c(F)cc(C#N)cc2F)ccn1 ZINC000124386150 543817945 /nfs/dbraw/zinc/81/79/45/543817945.db2.gz ZCMRWWAIIIVTLD-UHFFFAOYSA-N 1 0 360.364 2.102 20 30 FEEDRO C[NH+]=C(NCc1nc(C(C)(C)C)cs1)N[C@@H]1CCc2nc(C)nn2C1 ZINC000126017893 543914231 /nfs/dbraw/zinc/91/42/31/543914231.db2.gz OVAUJJJOXJCUDU-GFCCVEGCSA-N 1 0 361.519 2.021 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC(Cc3nccn3C)CC2)CC1 ZINC000126209913 543923678 /nfs/dbraw/zinc/92/36/78/543923678.db2.gz HHBRWAREZHZIBE-UHFFFAOYSA-N 1 0 359.518 2.425 20 30 FEEDRO C[NH+](C)C[C@@H](O)COc1ccc(NC(=O)CCc2ccc(C#N)cc2)cc1 ZINC000126896617 543962256 /nfs/dbraw/zinc/96/22/56/543962256.db2.gz QQLVCCZLJJTVKU-LJQANCHMSA-N 1 0 367.449 2.431 20 30 FEEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)[C@H](C)C1 ZINC000127365811 543988411 /nfs/dbraw/zinc/98/84/11/543988411.db2.gz RROQHEKLSZVDFB-KDOFPFPSSA-N 1 0 366.469 2.128 20 30 FEEDRO CCC[NH+]1CCC(CNC(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)CC1 ZINC000128641655 544064196 /nfs/dbraw/zinc/06/41/96/544064196.db2.gz KJLIRVWYYPALOA-UHFFFAOYSA-N 1 0 362.861 2.388 20 30 FEEDRO C[C@H]1C[C@H](NS(=O)(=O)c2cccc(C#N)c2)C[N@@H+]1Cc1ccccc1 ZINC000128125741 544034028 /nfs/dbraw/zinc/03/40/28/544034028.db2.gz OGTKRJLPHLGITE-YJBOKZPZSA-N 1 0 355.463 2.500 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cccc(OCCF)c2)CC1 ZINC000128973868 544084021 /nfs/dbraw/zinc/08/40/21/544084021.db2.gz LSOKOFXUGIGTDY-UHFFFAOYSA-N 1 0 363.433 2.130 20 30 FEEDRO C[NH+]1CCC(CCNC(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000128992312 544085337 /nfs/dbraw/zinc/08/53/37/544085337.db2.gz JGELXWZKNBKGGA-UHFFFAOYSA-N 1 0 356.470 2.274 20 30 FEEDRO CN(CCC#N)C(=O)CC[NH+]1CCC(c2nc(-c3ccccn3)no2)CC1 ZINC000131422025 544189818 /nfs/dbraw/zinc/18/98/18/544189818.db2.gz DUYFEHLLEMCDLN-UHFFFAOYSA-N 1 0 368.441 2.073 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2ncoc2-c2ccccc2)c1C#N ZINC000133480313 544271647 /nfs/dbraw/zinc/27/16/47/544271647.db2.gz BJUROPXJRBUYBN-UHFFFAOYSA-N 1 0 350.382 2.341 20 30 FEEDRO C=C[C@@H](C)NC(=O)C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCC2)cc1 ZINC000133766761 544282401 /nfs/dbraw/zinc/28/24/01/544282401.db2.gz LTLWPTQMSRYELE-OAHLLOKOSA-N 1 0 372.469 2.130 20 30 FEEDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2CCN(c3ccccc3C#N)CC2)C1 ZINC000133796230 544283790 /nfs/dbraw/zinc/28/37/90/544283790.db2.gz ODRRIWUCBKELCJ-GOSISDBHSA-N 1 0 369.513 2.368 20 30 FEEDRO C[N@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)[C@@H](CO)C(C)(C)C ZINC000134397886 544306478 /nfs/dbraw/zinc/30/64/78/544306478.db2.gz JIPKLKCIQNTOCH-INIZCTEOSA-N 1 0 355.442 2.021 20 30 FEEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cccc(-n2cccn2)n1 ZINC000134768170 544321250 /nfs/dbraw/zinc/32/12/50/544321250.db2.gz KUYDVQUITSUNOE-UHFFFAOYSA-N 1 0 374.448 2.343 20 30 FEEDRO C=C[C@H](CC(=O)N1CCC(C(=O)NCC[NH+](C)C)CC1)c1ccccc1 ZINC000134644434 544316526 /nfs/dbraw/zinc/31/65/26/544316526.db2.gz SNSFEBYVWWRLAV-QGZVFWFLSA-N 1 0 357.498 2.263 20 30 FEEDRO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 ZINC000134799891 544321839 /nfs/dbraw/zinc/32/18/39/544321839.db2.gz ICQJBCNRXOTPSD-XYPHTWIQSA-N 1 0 363.433 2.114 20 30 FEEDRO CCCCNC(=S)C(C(=O)c1cnn(C)c1)[n+]1ccc(N(C)C)cc1 ZINC000151923296 544596438 /nfs/dbraw/zinc/59/64/38/544596438.db2.gz HSXHSOHOFHYKQY-UHFFFAOYSA-O 1 0 360.507 2.102 20 30 FEEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC([N@H+]2CCC[C@@H]2C)CC1 ZINC000152901447 544709481 /nfs/dbraw/zinc/70/94/81/544709481.db2.gz RKHUDGYGFWDYMO-AWEZNQCLSA-N 1 0 370.497 2.271 20 30 FEEDRO CCO[C@H]1C[C@H](O)C12CC[NH+](CCC(=O)Nc1ccc(C#N)cc1)CC2 ZINC000152945608 544715584 /nfs/dbraw/zinc/71/55/84/544715584.db2.gz FQSVXOIXNDBKKV-ROUUACIJSA-N 1 0 357.454 2.139 20 30 FEEDRO N#CCSCC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000153956867 544845501 /nfs/dbraw/zinc/84/55/01/544845501.db2.gz IIEGARLLZIDFLN-CQSZACIVSA-N 1 0 353.875 2.383 20 30 FEEDRO CC[N@H+](CCNS(=O)(=O)c1cc(Br)cc(C#N)c1)C1CC1 ZINC000155176839 544998561 /nfs/dbraw/zinc/99/85/61/544998561.db2.gz AOLNHXKRMSUMOJ-UHFFFAOYSA-N 1 0 372.288 2.083 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H](SC)C(C)(C)C)CC1 ZINC000553394634 674257479 /nfs/dbraw/zinc/25/74/79/674257479.db2.gz SMDYVRHVZDQJNW-OAHLLOKOSA-N 1 0 355.548 2.037 20 30 FEEDRO C[C@@H]1CN(c2c(C#N)cnc3c(F)c(F)c(F)cc32)CC[N@@H+]1CCO ZINC000553540390 674269333 /nfs/dbraw/zinc/26/93/33/674269333.db2.gz LXGRTBZGFDQIPW-SNVBAGLBSA-N 1 0 350.344 2.027 20 30 FEEDRO Cn1cc(CN2CC[NH+](C[C@H]3CCOC3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000180231614 327677318 /nfs/dbraw/zinc/67/73/18/327677318.db2.gz MZQVWJCEAYQUGK-GOSISDBHSA-N 1 0 365.481 2.113 20 30 FEEDRO COC(=O)c1cn(C2CC[NH+](CCCOc3ccc(C#N)cc3)CC2)nn1 ZINC000183729196 327832571 /nfs/dbraw/zinc/83/25/71/327832571.db2.gz XLUOCQLMDXBTKB-UHFFFAOYSA-N 1 0 369.425 2.042 20 30 FEEDRO CC[N@H+](CCNS(=O)(=O)c1cccc(Br)c1C#N)C(C)C ZINC000553875997 674291550 /nfs/dbraw/zinc/29/15/50/674291550.db2.gz VSKOJXVWFONROE-UHFFFAOYSA-N 1 0 374.304 2.329 20 30 FEEDRO C[C@H]1C[NH+](CC2CCN(C(=O)c3ccc(C#N)c(O)c3)CC2)C[C@H](C)O1 ZINC000187988570 328058560 /nfs/dbraw/zinc/05/85/60/328058560.db2.gz XXEVPTKECVYBQH-GJZGRUSLSA-N 1 0 357.454 2.225 20 30 FEEDRO N#Cc1ccc(OC(F)F)c(NC(=O)NCC[N@@H+]2CCCOCC2)c1 ZINC000188103479 328066242 /nfs/dbraw/zinc/06/62/42/328066242.db2.gz JYQPQBLDHIIQPK-UHFFFAOYSA-N 1 0 354.357 2.003 20 30 FEEDRO COCCO[C@@H]1CC[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000189664285 328160767 /nfs/dbraw/zinc/16/07/67/328160767.db2.gz HQHJMCLDSPHHBJ-OAHLLOKOSA-N 1 0 351.834 2.278 20 30 FEEDRO COCCC[N@H+](CCO)CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000189915606 328176016 /nfs/dbraw/zinc/17/60/16/328176016.db2.gz VCXBTFQFPPFGKO-UHFFFAOYSA-N 1 0 365.499 2.158 20 30 FEEDRO CCc1nn(C)c(CC)c1C[NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000190838862 328235280 /nfs/dbraw/zinc/23/52/80/328235280.db2.gz LYABRBRWTVIITR-LJQANCHMSA-N 1 0 365.481 2.307 20 30 FEEDRO CCc1nn(C)c(CC)c1C[NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000190838878 328235374 /nfs/dbraw/zinc/23/53/74/328235374.db2.gz LYABRBRWTVIITR-IBGZPJMESA-N 1 0 365.481 2.307 20 30 FEEDRO C[C@H]1CN(C(=O)c2ccc(C[NH2+]Cc3cc(C#N)n(C)c3)cc2)C[C@H](C)O1 ZINC000190872794 328237536 /nfs/dbraw/zinc/23/75/36/328237536.db2.gz IHZFBWXEMWVDKK-HOTGVXAUSA-N 1 0 366.465 2.436 20 30 FEEDRO C[C@@H](C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000191083209 328249160 /nfs/dbraw/zinc/24/91/60/328249160.db2.gz GSYFQKHWYPMIJD-CYJAXWMASA-N 1 0 368.481 2.037 20 30 FEEDRO Cn1cc(C[NH2+]CCCC(=O)N2CCN(c3ccccc3)CC2)cc1C#N ZINC000191133268 328251198 /nfs/dbraw/zinc/25/11/98/328251198.db2.gz RNZKHDFNNOHOGW-UHFFFAOYSA-N 1 0 365.481 2.115 20 30 FEEDRO C[C@@H](NC(=O)C(=O)Nc1ccc(F)cc1C#N)[C@H](c1ccccc1)[NH+](C)C ZINC000191246315 328256114 /nfs/dbraw/zinc/25/61/14/328256114.db2.gz VCJCVUDRHAOMHB-FZKQIMNGSA-N 1 0 368.412 2.443 20 30 FEEDRO COc1cc(C[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc(OC)c1 ZINC000192242336 328308766 /nfs/dbraw/zinc/30/87/66/328308766.db2.gz ANDVFZSBJVOTAM-HXUWFJFHSA-N 1 0 365.433 2.466 20 30 FEEDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)C1CCN(c2oc(C)nc2C#N)CC1 ZINC000193225758 328363645 /nfs/dbraw/zinc/36/36/45/328363645.db2.gz STKRNQBBLJBMND-INIZCTEOSA-N 1 0 359.474 2.062 20 30 FEEDRO N#Cc1ccc(NC(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)cc1Cl ZINC000193707763 328390786 /nfs/dbraw/zinc/39/07/86/328390786.db2.gz AQZGFTNBIGKAID-UHFFFAOYSA-N 1 0 360.845 2.141 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)S(=O)(=O)Cc1ccccc1 ZINC000047281098 324630716 /nfs/dbraw/zinc/63/07/16/324630716.db2.gz IGBOJMFTLACNIR-UHFFFAOYSA-N 1 0 357.479 2.452 20 30 FEEDRO Cc1csc(N2CC[NH+](CCC(=O)Nc3cccc(C#N)c3)CC2)n1 ZINC000052662590 324722301 /nfs/dbraw/zinc/72/23/01/324722301.db2.gz LLGJDRMOZHRQMC-UHFFFAOYSA-N 1 0 355.467 2.474 20 30 FEEDRO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)C(=O)Nc2ccc(C#N)cc2)C1 ZINC000054946257 324768373 /nfs/dbraw/zinc/76/83/73/324768373.db2.gz DJFPIUVNOBFZKQ-GJZGRUSLSA-N 1 0 356.470 2.369 20 30 FEEDRO CC1(C)CC(NC(=O)N2CCN(c3ncccc3C#N)CC2)CC(C)(C)[NH2+]1 ZINC000078311673 325041487 /nfs/dbraw/zinc/04/14/87/325041487.db2.gz SEMNBGYCZNFZBG-UHFFFAOYSA-N 1 0 370.501 2.094 20 30 FEEDRO COC[C@@](C)(CCO)[NH2+]CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000079921632 325109786 /nfs/dbraw/zinc/10/97/86/325109786.db2.gz FAVITOVJJBOKEH-GOSISDBHSA-N 1 0 365.499 2.204 20 30 FEEDRO COc1ccc(C[NH2+]C[C@H]2C[C@H](O)CN2Cc2ccccc2)cc1C#N ZINC000089799481 325333889 /nfs/dbraw/zinc/33/38/89/325333889.db2.gz HAFBPDHAWRQVHO-UXHICEINSA-N 1 0 351.450 2.292 20 30 FEEDRO CC(C)n1cc(C#N)c(NC(=O)C(=O)NCCCCC[NH+]2CCCCC2)n1 ZINC000091224136 325380777 /nfs/dbraw/zinc/38/07/77/325380777.db2.gz MFGYYJLJTXBISZ-UHFFFAOYSA-N 1 0 374.489 2.047 20 30 FEEDRO N#Cc1ccccc1N1CC[NH+](C[C@@H](O)COCc2cccs2)CC1 ZINC000101587242 325474067 /nfs/dbraw/zinc/47/40/67/325474067.db2.gz FCRBDKRNFCZIQN-QGZVFWFLSA-N 1 0 357.479 2.319 20 30 FEEDRO CCN1CC[NH+](C[C@H](C)CNC(=O)N[C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000118810782 326104130 /nfs/dbraw/zinc/10/41/30/326104130.db2.gz DWSSAPCOVRQRHG-SJORKVTESA-N 1 0 357.502 2.192 20 30 FEEDRO N#Cc1ccc(OC[C@@H](O)C[NH+]2CCC(CN3CCCCC3=O)CC2)cc1 ZINC000118852206 326108464 /nfs/dbraw/zinc/10/84/64/326108464.db2.gz XTQAXOBXPNMJHB-IBGZPJMESA-N 1 0 371.481 2.022 20 30 FEEDRO C[NH+](C)CC1CCC(NC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)CC1 ZINC000119834138 326203567 /nfs/dbraw/zinc/20/35/67/326203567.db2.gz XAGDDRBLJFUULS-UHFFFAOYSA-N 1 0 366.469 2.176 20 30 FEEDRO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)Cc1cc(C#N)ccc1F ZINC000120954041 326301942 /nfs/dbraw/zinc/30/19/42/326301942.db2.gz OQYROSXEBAVLTO-JKSUJKDBSA-N 1 0 351.447 2.086 20 30 FEEDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NS(=O)(=O)Cc1cc(C#N)ccc1F ZINC000120985068 326304444 /nfs/dbraw/zinc/30/44/44/326304444.db2.gz KKKKSUAAVROHPU-RBSFLKMASA-N 1 0 367.490 2.483 20 30 FEEDRO C[C@@H]1CCC[N@@H+]1C1CCN(C(=O)C(=O)Nc2ccc(F)cc2C#N)CC1 ZINC000121703040 326359365 /nfs/dbraw/zinc/35/93/65/326359365.db2.gz ZXYMTIRDXXRHQN-CYBMUJFWSA-N 1 0 358.417 2.111 20 30 FEEDRO Cc1cc(NC(=O)C2CC[NH+](C[C@@H](O)c3ccc(C#N)cc3)CC2)no1 ZINC000121955820 326378038 /nfs/dbraw/zinc/37/80/38/326378038.db2.gz ZYBCSQBNMFZOTP-QGZVFWFLSA-N 1 0 354.410 2.239 20 30 FEEDRO N#Cc1ccc(F)c(CS(=O)(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000163784511 327058828 /nfs/dbraw/zinc/05/88/28/327058828.db2.gz PTBIUSUJNWXBBO-MRXNPFEDSA-N 1 0 365.474 2.335 20 30 FEEDRO N#Cc1ccc(N2CC[NH+](CCC(=O)NCC3CCCCC3)CC2)nc1 ZINC000171000247 327111668 /nfs/dbraw/zinc/11/16/68/327111668.db2.gz JYVYXCUBMICRCR-UHFFFAOYSA-N 1 0 355.486 2.162 20 30 FEEDRO CC(C)[NH+]1CCC(NC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)CC1 ZINC000171003214 327111841 /nfs/dbraw/zinc/11/18/41/327111841.db2.gz RWJSRSBAOOSPOS-UHFFFAOYSA-N 1 0 373.476 2.402 20 30 FEEDRO CC[N@H+](CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)C(C)C ZINC000171056679 327114739 /nfs/dbraw/zinc/11/47/39/327114739.db2.gz BZRSMGHXABKEDK-UHFFFAOYSA-N 1 0 371.441 2.185 20 30 FEEDRO C[N@H+](CCC(=O)Nc1cccc(C#N)c1)C[C@H](O)COCc1ccccc1 ZINC000172252679 327190540 /nfs/dbraw/zinc/19/05/40/327190540.db2.gz NINDLLLECGYNPA-FQEVSTJZSA-N 1 0 367.449 2.396 20 30 FEEDRO Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000173054106 327232541 /nfs/dbraw/zinc/23/25/41/327232541.db2.gz NAOUXJNNRHDYQX-OAHLLOKOSA-N 1 0 370.501 2.243 20 30 FEEDRO C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000174237896 327314859 /nfs/dbraw/zinc/31/48/59/327314859.db2.gz OQERPIGYSYGBQK-KRWDZBQOSA-N 1 0 370.497 2.462 20 30 FEEDRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]Cc2ccc(OC)c(C#N)c2)c1 ZINC000174341456 327321121 /nfs/dbraw/zinc/32/11/21/327321121.db2.gz DCIWHIJYGJPKDY-CYBMUJFWSA-N 1 0 359.451 2.326 20 30 FEEDRO CC[NH+](CC)[C@@H](CNC(=O)Cn1cnc(C#N)n1)c1ccccc1Cl ZINC000178368738 327580968 /nfs/dbraw/zinc/58/09/68/327580968.db2.gz BPKRFYACMXCWME-HNNXBMFYSA-N 1 0 360.849 2.002 20 30 FEEDRO N#Cc1cc(S(=O)(=O)N[C@H](C[NH3+])C2CCCC2)ccc1C(F)(F)F ZINC000262143076 328845574 /nfs/dbraw/zinc/84/55/74/328845574.db2.gz YAUYBSMNXKIIJR-CQSZACIVSA-N 1 0 361.389 2.373 20 30 FEEDRO COCCN(CC[NH+](C)C)C(=O)NCCSCc1ccccc1C#N ZINC000264300719 329008410 /nfs/dbraw/zinc/00/84/10/329008410.db2.gz WWAFITDTUHNSNN-UHFFFAOYSA-N 1 0 364.515 2.011 20 30 FEEDRO N#Cc1ccc(OCC(=O)NC2CC[NH+](Cc3cccnc3)CC2)cc1 ZINC000265112031 329092166 /nfs/dbraw/zinc/09/21/66/329092166.db2.gz AUFDELVKLURBQP-UHFFFAOYSA-N 1 0 350.422 2.113 20 30 FEEDRO CC(C)CC(=O)NCCC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000265897176 329170520 /nfs/dbraw/zinc/17/05/20/329170520.db2.gz OUELMRLJMWJEAZ-UHFFFAOYSA-N 1 0 358.486 2.001 20 30 FEEDRO CCN(CC)C(=O)CCC(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000267988678 329374411 /nfs/dbraw/zinc/37/44/11/329374411.db2.gz ZZCBBGADTFDEGF-UHFFFAOYSA-N 1 0 358.486 2.097 20 30 FEEDRO N#Cc1cc(Br)ccc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000272896468 329821804 /nfs/dbraw/zinc/82/18/04/329821804.db2.gz YXMQAMSLPQOJBD-CYBMUJFWSA-N 1 0 350.260 2.479 20 30 FEEDRO Cc1nc(-c2nc(-c3ccnc(OCC[NH+](C)C)c3)no2)ccc1C#N ZINC000273871178 329898617 /nfs/dbraw/zinc/89/86/17/329898617.db2.gz HQJCUZBVFNJUSG-UHFFFAOYSA-N 1 0 350.382 2.314 20 30 FEEDRO C[NH+](C)CCc1ccc(CNC(=O)C(=O)Nc2ccc(F)cc2C#N)cc1 ZINC000276521077 330160964 /nfs/dbraw/zinc/16/09/64/330160964.db2.gz YUVIXNDPHSGGFP-UHFFFAOYSA-N 1 0 368.412 2.056 20 30 FEEDRO C#C[C@H](NC(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc(Cl)cc1F ZINC000805074396 674317141 /nfs/dbraw/zinc/31/71/41/674317141.db2.gz JIQVQNXJSZTKQV-KEYYUXOJSA-N 1 0 365.836 2.316 20 30 FEEDRO CCN(C(=O)CN1CCN(c2nccnc2C#N)C[C@@H]1C)C1CCCCC1 ZINC000155634974 545552193 /nfs/dbraw/zinc/55/21/93/545552193.db2.gz IPZOETQOJIQFFX-INIZCTEOSA-N 1 0 370.501 2.040 20 30 FEEDRO CN(C)c1nccc(N2CC[NH+](CCCOc3cccc(C#N)c3)CC2)n1 ZINC000477287912 561141289 /nfs/dbraw/zinc/14/12/89/561141289.db2.gz XGTJJVKPLGAHRG-UHFFFAOYSA-N 1 0 366.469 2.005 20 30 FEEDRO N#Cc1cccc(S(=O)(=O)CCN2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000156774710 545658474 /nfs/dbraw/zinc/65/84/74/545658474.db2.gz HNOUDJBHDXNXLA-GOSISDBHSA-N 1 0 361.511 2.282 20 30 FEEDRO C=CCN(Cc1ccccc1)C(=O)C(=O)NCC1CC[NH+](CCC)CC1 ZINC000477710239 561151656 /nfs/dbraw/zinc/15/16/56/561151656.db2.gz DUGGVDOCEFETJH-UHFFFAOYSA-N 1 0 357.498 2.439 20 30 FEEDRO CC[N@@H+]1CCCN([C@@H](C)C(=O)N(CCC#N)c2ccccc2OC)CC1 ZINC000158251700 545839676 /nfs/dbraw/zinc/83/96/76/545839676.db2.gz KTYKRZOBAGZLOL-KRWDZBQOSA-N 1 0 358.486 2.358 20 30 FEEDRO N#Cc1ccc(C(=O)NCCCC[NH+]2CCN(Cc3ccccc3)CC2)[nH]1 ZINC000159101764 545922152 /nfs/dbraw/zinc/92/21/52/545922152.db2.gz ISHQRXAQMDCRPC-UHFFFAOYSA-N 1 0 365.481 2.214 20 30 FEEDRO COc1c[nH+]ccc1N1CCN(C(=O)c2c(F)cc(C#N)cc2F)CC1 ZINC000478444889 561167021 /nfs/dbraw/zinc/16/70/21/561167021.db2.gz NHDOFKSJIXWUBR-UHFFFAOYSA-N 1 0 358.348 2.202 20 30 FEEDRO COc1cc(O)c(C[N@@H+]2CCCN(c3ncccc3C#N)CC2)cc1OC ZINC000159926172 545992711 /nfs/dbraw/zinc/99/27/11/545992711.db2.gz LUVXLUBAOSEFCP-UHFFFAOYSA-N 1 0 368.437 2.388 20 30 FEEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCCCC(=O)N(C)C ZINC000478532504 561168887 /nfs/dbraw/zinc/16/88/87/561168887.db2.gz ADKFZHRFVSQQBI-UHFFFAOYSA-N 1 0 365.547 2.453 20 30 FEEDRO CC[NH+]=C(NCc1c(C)nn(C)c1C)N1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000160086248 546006225 /nfs/dbraw/zinc/00/62/25/546006225.db2.gz YAZABPANRUUEFW-KDOFPFPSSA-N 1 0 357.506 2.282 20 30 FEEDRO O=C(NCC[NH2+]Cc1ccc(F)c(C(F)(F)F)c1)C1N=CC=CC1=O ZINC000162490653 546140146 /nfs/dbraw/zinc/14/01/46/546140146.db2.gz YGNVOXAWGXDTMS-CCEZHUSRSA-N 1 0 357.307 2.461 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)[C@H]2CCN(c3ccc(Cl)cc3)C2=O)CC1 ZINC000171715451 546220675 /nfs/dbraw/zinc/22/06/75/546220675.db2.gz BVPSDNQBKDFQSH-QGZVFWFLSA-N 1 0 361.873 2.460 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)NC[C@@H]2CCN(c3ccccc3OC)C2)CC1 ZINC000171730407 546222298 /nfs/dbraw/zinc/22/22/98/546222298.db2.gz AGZQWWVIEDSTNY-KRWDZBQOSA-N 1 0 372.513 2.471 20 30 FEEDRO C=CC[C@@H](CO)C[NH2+][C@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479403108 561189072 /nfs/dbraw/zinc/18/90/72/561189072.db2.gz XTBHRMVMSFCKGR-NXEZZACHSA-N 1 0 367.298 2.476 20 30 FEEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000172291936 546244986 /nfs/dbraw/zinc/24/49/86/546244986.db2.gz MMJHWEHHWCTVLI-LSDHHAIUSA-N 1 0 374.510 2.287 20 30 FEEDRO COC(=O)CN(CC#N)C(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC000172359211 546249967 /nfs/dbraw/zinc/24/99/67/546249967.db2.gz RJNOFKZTKOJWBN-UHFFFAOYSA-N 1 0 365.433 2.457 20 30 FEEDRO CN1CCC(CNC(=O)c2cccc(CC#N)c2)([NH+]2CCCCC2)CC1 ZINC000172750821 546266961 /nfs/dbraw/zinc/26/69/61/546266961.db2.gz MKDVTWWGTVBXHH-UHFFFAOYSA-N 1 0 354.498 2.433 20 30 FEEDRO N#CCCSc1ccccc1NC(=O)C(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000173208679 546275768 /nfs/dbraw/zinc/27/57/68/546275768.db2.gz SJYQIISTCJTRCW-HNNXBMFYSA-N 1 0 370.478 2.104 20 30 FEEDRO C#CCCOc1ccc(C[NH2+][C@H]2CCN(c3cc(C)nn3C)C2=O)cc1 ZINC000174620320 546300396 /nfs/dbraw/zinc/30/03/96/546300396.db2.gz PMEFDVCYAYIXDU-SFHVURJKSA-N 1 0 352.438 2.026 20 30 FEEDRO CN(CC(=O)N(CCC#N)CCC#N)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000174946259 546305258 /nfs/dbraw/zinc/30/52/58/546305258.db2.gz QWIUMHJYRRCPOE-HXUWFJFHSA-N 1 0 367.497 2.239 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)[C@@]2(F)CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000175587976 546316098 /nfs/dbraw/zinc/31/60/98/546316098.db2.gz PPTHREWAPZSVHM-GOSISDBHSA-N 1 0 355.454 2.102 20 30 FEEDRO N#CCOc1ccc(CC(=O)NC2CC[NH+](Cc3cccnc3)CC2)cc1 ZINC000175668510 546330392 /nfs/dbraw/zinc/33/03/92/546330392.db2.gz ZOPHSFYHVXINRQ-UHFFFAOYSA-N 1 0 364.449 2.307 20 30 FEEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000175781879 546349215 /nfs/dbraw/zinc/34/92/15/546349215.db2.gz ZHFGFWFFBHKMNN-GOSISDBHSA-N 1 0 371.529 2.363 20 30 FEEDRO C[C@H](CNC(=O)C(=O)Nc1ccc(F)cc1C#N)[N@H+](C)Cc1ccccc1 ZINC000175982081 546384014 /nfs/dbraw/zinc/38/40/14/546384014.db2.gz LWNXTQRGRJWWSN-CQSZACIVSA-N 1 0 368.412 2.273 20 30 FEEDRO C=CCOc1ccccc1C[NH2+]Cc1ccc(S(=O)(=O)CCO)cc1 ZINC000480906515 561219985 /nfs/dbraw/zinc/21/99/85/561219985.db2.gz DRFUPNZVMKZRIQ-UHFFFAOYSA-N 1 0 361.463 2.307 20 30 FEEDRO C=CCCS(=O)(=O)NCCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000480967425 561221503 /nfs/dbraw/zinc/22/15/03/561221503.db2.gz VMDAULHENHOWLJ-UHFFFAOYSA-N 1 0 365.543 2.080 20 30 FEEDRO C=CCCC[C@@H](C)NC(=O)C(=O)NCc1ccc(-n2ccnc2)c(F)c1 ZINC000481250594 561228925 /nfs/dbraw/zinc/22/89/25/561228925.db2.gz KMOVPRZBTWFWRE-CQSZACIVSA-N 1 0 358.417 2.489 20 30 FEEDRO C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@H](CNC(=O)c2ccccc2)C1 ZINC000178043948 546729616 /nfs/dbraw/zinc/72/96/16/546729616.db2.gz BOGIDBOFHJCSSU-GOSISDBHSA-N 1 0 355.482 2.329 20 30 FEEDRO C=C[C@H](CC(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)c1ccccc1 ZINC000179302488 546928061 /nfs/dbraw/zinc/92/80/61/546928061.db2.gz ACFKMIJDHZVMLA-IEBWSBKVSA-N 1 0 355.482 2.111 20 30 FEEDRO Cc1ccc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c(O)c1O ZINC000179435809 546953702 /nfs/dbraw/zinc/95/37/02/546953702.db2.gz XXJIMYFGPBWIEJ-UHFFFAOYSA-N 1 0 353.422 2.482 20 30 FEEDRO C=CCNC(=O)CNC(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000180212113 547067737 /nfs/dbraw/zinc/06/77/37/547067737.db2.gz VWTYCSZADDETAZ-HNNXBMFYSA-N 1 0 364.515 2.123 20 30 FEEDRO C[C@@H](NC(=O)C(=O)Nc1ccc(F)cc1C#N)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000180407425 547102390 /nfs/dbraw/zinc/10/23/90/547102390.db2.gz RYDFWQSZUXHHTB-ZIAGYGMSSA-N 1 0 372.444 2.405 20 30 FEEDRO C=CCNC(=O)NC(=O)C[NH2+][C@@H](C)c1ccc(OCC(F)(F)F)cc1 ZINC000180963448 547221133 /nfs/dbraw/zinc/22/11/33/547221133.db2.gz RNCWSRSWPOKIBO-NSHDSACASA-N 1 0 359.348 2.290 20 30 FEEDRO CC[C@@H](CO)[NH+]1CCN(Cc2ccc(C#N)cc2Br)CC1 ZINC000181122832 547253460 /nfs/dbraw/zinc/25/34/60/547253460.db2.gz NXQYRLKIPWNPQF-HNNXBMFYSA-N 1 0 352.276 2.209 20 30 FEEDRO N#Cc1ccc(CN2CC[NH+](C[C@@H]3CCOC3)CC2)c(Br)c1 ZINC000181138303 547256767 /nfs/dbraw/zinc/25/67/67/547256767.db2.gz QYEGFQRRYAMPMY-HNNXBMFYSA-N 1 0 364.287 2.475 20 30 FEEDRO C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000181809293 547384660 /nfs/dbraw/zinc/38/46/60/547384660.db2.gz SSYPCPHMWLJJPL-YOEHRIQHSA-N 1 0 374.485 2.399 20 30 FEEDRO CC(C)Oc1ccc(NC(=O)N2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)cc1C#N ZINC000182082546 547434255 /nfs/dbraw/zinc/43/42/55/547434255.db2.gz XKNKREISAIWNSQ-LSDHHAIUSA-N 1 0 360.458 2.264 20 30 FEEDRO N#Cc1ccc(CCC(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000183414578 547654191 /nfs/dbraw/zinc/65/41/91/547654191.db2.gz UMWHZZRWJKHTIB-OAQYLSRUSA-N 1 0 363.461 2.374 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2CCC[C@H]2C[NH+]2CCCC2)c(Cl)c1 ZINC000183556288 547680314 /nfs/dbraw/zinc/68/03/14/547680314.db2.gz JHOLHHBMURUPRF-AWEZNQCLSA-N 1 0 353.875 2.461 20 30 FEEDRO CNC(=O)[C@@H]([NH2+]CC(=O)Nc1ccccc1S[C@@H](C)CC#N)C(C)C ZINC000183645366 547694023 /nfs/dbraw/zinc/69/40/23/547694023.db2.gz QPPABTKRKFOPRA-GUYCJALGSA-N 1 0 362.499 2.380 20 30 FEEDRO C[C@H](C#N)Oc1ccccc1NC(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000184306067 547804388 /nfs/dbraw/zinc/80/43/88/547804388.db2.gz YYJDPTKSGOLZIY-MRXNPFEDSA-N 1 0 373.501 2.467 20 30 FEEDRO CC(C)[C@@H]([NH2+]CCOc1cccc(C#N)c1)c1nc(-c2nc[nH]n2)no1 ZINC000184865971 547889538 /nfs/dbraw/zinc/88/95/38/547889538.db2.gz BRLRYIHHYSNWKY-CQSZACIVSA-N 1 0 353.386 2.092 20 30 FEEDRO C#CCOc1ccccc1NC(=O)C(=O)NC[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000185182083 547947924 /nfs/dbraw/zinc/94/79/24/547947924.db2.gz BDCHPAOCOXAXOZ-KRWDZBQOSA-N 1 0 371.481 2.121 20 30 FEEDRO C=CC[C@@H](CO)NC(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCCC1 ZINC000185226145 547955509 /nfs/dbraw/zinc/95/55/09/547955509.db2.gz HFKRGNBHUAHQIH-PKOBYXMFSA-N 1 0 361.486 2.458 20 30 FEEDRO CN(C)C(=O)CNC(NCc1ccc(Cl)cn1)=[NH+][C@@H]1C[C@H]2CC[C@@H]1C2 ZINC000185373106 547976796 /nfs/dbraw/zinc/97/67/96/547976796.db2.gz ABXSDNPPCMINTQ-WOSRLPQWSA-N 1 0 363.893 2.047 20 30 FEEDRO C#CCOc1ccccc1NC(=O)C(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000185591125 548006302 /nfs/dbraw/zinc/00/63/02/548006302.db2.gz INLLFBLEGSABPP-INIZCTEOSA-N 1 0 357.454 2.018 20 30 FEEDRO COc1cc(C#N)ccc1S(=O)(=O)N(CC[NH+](C)C)C1CCCC1 ZINC000185848098 548044335 /nfs/dbraw/zinc/04/43/35/548044335.db2.gz FKKOPMAVZQAGQY-UHFFFAOYSA-N 1 0 351.472 2.062 20 30 FEEDRO C[C@@H](C#N)Oc1ccccc1NC(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000186755491 548185702 /nfs/dbraw/zinc/18/57/02/548185702.db2.gz BPUPESBBPWRYIB-CABCVRRESA-N 1 0 360.458 2.286 20 30 FEEDRO COC[C@@H](C)NC(=[NH2+])NCc1ccc2c(c1)CN(C(=O)OC(C)(C)C)C2 ZINC000187133001 548251670 /nfs/dbraw/zinc/25/16/70/548251670.db2.gz ALGREUXZEHGRLQ-CYBMUJFWSA-N 1 0 362.474 2.377 20 30 FEEDRO C=C[C@](C)(CCOC)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000188416467 548278988 /nfs/dbraw/zinc/27/89/88/548278988.db2.gz KGEUBJZKBBYYGA-LJQANCHMSA-N 1 0 361.442 2.323 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)[C@@H](O)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000189278385 548298661 /nfs/dbraw/zinc/29/86/61/548298661.db2.gz WOXYCJBUFKNTLP-INIZCTEOSA-N 1 0 356.388 2.375 20 30 FEEDRO CCn1nccc1N1CCC[C@H]([NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)C1=O ZINC000191642526 548348253 /nfs/dbraw/zinc/34/82/53/548348253.db2.gz PPZWDBIZCHWQRN-YJBOKZPZSA-N 1 0 367.453 2.479 20 30 FEEDRO Cc1nc(C#N)c(N2CCC(C(=O)N(CC[NH+](C)C)CC(C)C)CC2)o1 ZINC000193168944 548381490 /nfs/dbraw/zinc/38/14/90/548381490.db2.gz PFBPRDOKUIJCGW-UHFFFAOYSA-N 1 0 361.490 2.117 20 30 FEEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)NCCC[NH+]1CCCCC1 ZINC000193913326 548404184 /nfs/dbraw/zinc/40/41/84/548404184.db2.gz CCRMJIGNWDZNIU-UHFFFAOYSA-N 1 0 372.469 2.276 20 30 FEEDRO C=CCc1cc(C(=O)N2CCC(OCCC[NH3+])CC2)cc(OC)c1OC ZINC000237229426 548810535 /nfs/dbraw/zinc/81/05/35/548810535.db2.gz FDBCLZZFPQICDS-UHFFFAOYSA-N 1 0 362.470 2.402 20 30 FEEDRO N#Cc1ccc(OC[C@H](O)C[N@H+](C[C@@H]2CCCO2)[C@H]2CCSC2)cc1 ZINC000245587481 548952374 /nfs/dbraw/zinc/95/23/74/548952374.db2.gz FEECUTYPPJRFDG-SCTDSRPQSA-N 1 0 362.495 2.284 20 30 FEEDRO N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H](c3nncn3C3CC3)C2)cc1 ZINC000246095240 549051389 /nfs/dbraw/zinc/05/13/89/549051389.db2.gz OGLUKDGCPLHBPS-AEFFLSMTSA-N 1 0 367.453 2.104 20 30 FEEDRO CC(C)n1cnnc1[C@@H]1CCC[N@H+](C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000246148937 549063715 /nfs/dbraw/zinc/06/37/15/549063715.db2.gz LXSGVRCYYFXZCG-QZTJIDSGSA-N 1 0 369.469 2.350 20 30 FEEDRO C[C@@H]1C[C@@H](NC(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)C[N@@H+]1C1CC1 ZINC000246153319 549064189 /nfs/dbraw/zinc/06/41/89/549064189.db2.gz DFBIPXYTBVWTFG-POAQFYNOSA-N 1 0 367.497 2.031 20 30 FEEDRO N#Cc1cccc(CS(=O)(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000246209249 549078456 /nfs/dbraw/zinc/07/84/56/549078456.db2.gz AINWWYAXWFPUDS-HKUYNNGSSA-N 1 0 359.495 2.337 20 30 FEEDRO C[C@H](CNC(=O)C(=O)Nc1cc(C#N)ccc1Cl)[N@@H+]1CCC[C@H](C)C1 ZINC000246284478 549095958 /nfs/dbraw/zinc/09/59/58/549095958.db2.gz UCHXRLDOWJZISS-QWHCGFSZSA-N 1 0 362.861 2.387 20 30 FEEDRO CCN(C[C@@H]1CC[N@H+](CC(=O)N[C@](C)(C#N)C2CC2)C1)CC(F)(F)F ZINC000246285184 549097481 /nfs/dbraw/zinc/09/74/81/549097481.db2.gz XFLBQNIYVHRDDS-XJKSGUPXSA-N 1 0 360.424 2.001 20 30 FEEDRO COC(=O)[C@@H]1C[C@H](c2ccccc2)C[N@@H+]([C@@H](C)C(=O)N(C)CCC#N)C1 ZINC000246291457 549099116 /nfs/dbraw/zinc/09/91/16/549099116.db2.gz OWCXWLOJHJGHAT-RYQLBKOJSA-N 1 0 357.454 2.026 20 30 FEEDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000246741146 549201886 /nfs/dbraw/zinc/20/18/86/549201886.db2.gz QQCMHMLALBQTOD-HUUCEWRRSA-N 1 0 374.510 2.477 20 30 FEEDRO CC[C@H]1CN(C(=O)C(C)(C)Oc2ccc(C#N)cc2)CC[N@@H+]1C[C@H](C)O ZINC000247142425 549290454 /nfs/dbraw/zinc/29/04/54/549290454.db2.gz WHVFVSNYEFSVJR-RDJZCZTQSA-N 1 0 359.470 2.019 20 30 FEEDRO COc1ccccc1C[N@H+](CCO)CCC(=O)Nc1sccc1C#N ZINC000489195391 561405408 /nfs/dbraw/zinc/40/54/08/561405408.db2.gz KHZQHUYKDALDLH-UHFFFAOYSA-N 1 0 359.451 2.451 20 30 FEEDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000248387273 549425034 /nfs/dbraw/zinc/42/50/34/549425034.db2.gz ATFZXXZBFSYSOJ-CABCVRRESA-N 1 0 367.457 2.381 20 30 FEEDRO CCOC(=O)[C@]1(C(C)C)CC[N@H+](C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000248687296 549485399 /nfs/dbraw/zinc/48/53/99/549485399.db2.gz ANIBDNZSHUZALP-YLJYHZDGSA-N 1 0 360.454 2.209 20 30 FEEDRO C=C[C@@H]1CCCC[N@@H+]1CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 ZINC000489473865 561412418 /nfs/dbraw/zinc/41/24/18/561412418.db2.gz JWGHXSVLLJFGII-SJORKVTESA-N 1 0 358.511 2.497 20 30 FEEDRO C[C@H](O)C[N@@H+]1CCN(Cc2cc(C#N)ccc2Br)[C@H](C)C1 ZINC000249205347 549569729 /nfs/dbraw/zinc/56/97/29/549569729.db2.gz BDYUCAPOOFQKFX-OLZOCXBDSA-N 1 0 352.276 2.208 20 30 FEEDRO C=CCOc1cccc(NC(=O)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)c1 ZINC000249255302 549572910 /nfs/dbraw/zinc/57/29/10/549572910.db2.gz YJIUINULIHADLZ-MAUKXSAKSA-N 1 0 357.454 2.133 20 30 FEEDRO C[NH+]=C(NCc1ccc(OC)c(OC)c1)N[C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000261615303 549734922 /nfs/dbraw/zinc/73/49/22/549734922.db2.gz GQIYCCBGSPXBKS-ZTFGCOKTSA-N 1 0 359.470 2.326 20 30 FEEDRO C[NH+]=C(NCC(=O)NC1CC1)N[C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000261976573 549776321 /nfs/dbraw/zinc/77/63/21/549776321.db2.gz NTWZWDOLZMZMKT-INIZCTEOSA-N 1 0 356.470 2.267 20 30 FEEDRO CC(C)(C)NC(=[NH2+])NCc1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000262014384 549779726 /nfs/dbraw/zinc/77/97/26/549779726.db2.gz VLZQAWZGRKCLPY-UHFFFAOYSA-N 1 0 352.504 2.064 20 30 FEEDRO C[C@@H]1CCCC[C@H]1[NH+]=C(NCc1ccco1)NC[C@H]1CCS(=O)(=O)C1 ZINC000262334327 549811661 /nfs/dbraw/zinc/81/16/61/549811661.db2.gz BMLKCDJUMXLZKE-BFYDXBDKSA-N 1 0 367.515 2.328 20 30 FEEDRO C[NH+]=C(NCCc1c[nH]c2ccc(Cl)cc12)N1CCN(C(C)=O)CC1 ZINC000262371074 549814558 /nfs/dbraw/zinc/81/45/58/549814558.db2.gz IPPFSQBTYMFVCW-UHFFFAOYSA-N 1 0 361.877 2.103 20 30 FEEDRO O=S1(=O)CC[C@@H](C[NH+]=C(NCCc2cccs2)N2CCCCC2)C1 ZINC000262414454 549818380 /nfs/dbraw/zinc/81/83/80/549818380.db2.gz PXDPJABBVYFHLL-HNNXBMFYSA-N 1 0 369.556 2.157 20 30 FEEDRO NS(=O)(=O)c1cccc(CNC(=[NH2+])Nc2cccc3c2CCCC3)c1 ZINC000262441258 549820074 /nfs/dbraw/zinc/82/00/74/549820074.db2.gz HQJNVRLEBNWJTR-UHFFFAOYSA-N 1 0 358.467 2.140 20 30 FEEDRO C[NH+]=C(NCc1ccc(C(N)=O)o1)N(C)Cc1c(F)cccc1Cl ZINC000262455480 549821162 /nfs/dbraw/zinc/82/11/62/549821162.db2.gz WRWPIHLFYBRVEJ-UHFFFAOYSA-N 1 0 352.797 2.378 20 30 FEEDRO C[NH+]=C(NCCS(C)(=O)=O)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000262523709 549826247 /nfs/dbraw/zinc/82/62/47/549826247.db2.gz FXGRTFPBZVPXFY-UHFFFAOYSA-N 1 0 352.287 2.045 20 30 FEEDRO CC[NH+]=C(NC[C@H]1CCc2nnc(C)n2C1)N1CCc2ccccc2C1 ZINC000262758983 549846573 /nfs/dbraw/zinc/84/65/73/549846573.db2.gz FIKDWOKBHVIBHC-MRXNPFEDSA-N 1 0 352.486 2.173 20 30 FEEDRO CN(C)[C@H](CNC(=[NH2+])N1CCN(c2ccc(F)cc2)CC1)c1ccco1 ZINC000263280327 549891954 /nfs/dbraw/zinc/89/19/54/549891954.db2.gz ZZSYDHRKMQVTLV-QGZVFWFLSA-N 1 0 359.449 2.158 20 30 FEEDRO N#Cc1ccccc1N1CCN(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000263676438 549917875 /nfs/dbraw/zinc/91/78/75/549917875.db2.gz IAUSFWWHTUQINP-MJGOQNOKSA-N 1 0 353.470 2.017 20 30 FEEDRO Cc1cc(C)cc(NC(=[NH2+])NC[C@H](O)COc2ccc3c(c2)OCO3)c1 ZINC000264078141 549976157 /nfs/dbraw/zinc/97/61/57/549976157.db2.gz GKFINLKLBNNDQX-HNNXBMFYSA-N 1 0 357.410 2.199 20 30 FEEDRO COc1ccc(CCNC(=[NH2+])NCc2cccnc2-n2ccnc2C)cc1 ZINC000264076451 549976257 /nfs/dbraw/zinc/97/62/57/549976257.db2.gz FXGLDIATOZGMAB-UHFFFAOYSA-N 1 0 364.453 2.231 20 30 FEEDRO CC[NH+](CC)CCOc1ccccc1CNS(=O)(=O)CCCC#N ZINC000264082490 549976848 /nfs/dbraw/zinc/97/68/48/549976848.db2.gz DODYNYVQUNCRJC-UHFFFAOYSA-N 1 0 353.488 2.130 20 30 FEEDRO COc1ccc(NC(=[NH2+])NCc2ccc(N3CCO[C@H](C)C3)nc2)cc1 ZINC000264102112 549979085 /nfs/dbraw/zinc/97/90/85/549979085.db2.gz NCPTWOBYOUMYHU-CQSZACIVSA-N 1 0 355.442 2.242 20 30 FEEDRO COCc1ccccc1CNC(=[NH2+])NCCc1ccc(OC)c(OC)c1 ZINC000264118559 549981081 /nfs/dbraw/zinc/98/10/81/549981081.db2.gz UARQRUBLTZULAZ-UHFFFAOYSA-N 1 0 357.454 2.497 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)CCc2nc(-c3ccccn3)no2)CC1 ZINC000264501731 549996380 /nfs/dbraw/zinc/99/63/80/549996380.db2.gz QOXXISZOGWYSEF-UHFFFAOYSA-N 1 0 355.442 2.221 20 30 FEEDRO N#CCOc1cccc(NC(=O)C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000264458542 549996473 /nfs/dbraw/zinc/99/64/73/549996473.db2.gz IFFWRSVYILFIDZ-QGZVFWFLSA-N 1 0 370.453 2.004 20 30 FEEDRO CCCOc1cc(C[NH2+]CCNC(=O)C2N=CC=CC2=O)ccc1OC ZINC000264938049 550004249 /nfs/dbraw/zinc/00/42/49/550004249.db2.gz FBSTYDDGKRHZQN-HNENSFHCSA-N 1 0 359.426 2.100 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)NC[C@H]1CCc2nnc(C)n2C1)C(C)C ZINC000265460917 550009997 /nfs/dbraw/zinc/00/99/97/550009997.db2.gz VSMQIXNJFAYIKZ-QZTJIDSGSA-N 1 0 374.533 2.147 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)Nc2cccc(NS(=O)(=O)CCC)c2)CC1 ZINC000265682541 550013401 /nfs/dbraw/zinc/01/34/01/550013401.db2.gz MPDDTKGKTMHLMM-UHFFFAOYSA-N 1 0 363.483 2.122 20 30 FEEDRO CCc1nc(C(=O)N(CCC#N)CCC[NH+](C)C)nn1-c1ccccc1F ZINC000265915881 550015697 /nfs/dbraw/zinc/01/56/97/550015697.db2.gz APBZTBYGNMXKBB-UHFFFAOYSA-N 1 0 372.448 2.276 20 30 FEEDRO N#CCN1CCC[C@@H](CNC(=O)C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000266064433 550016792 /nfs/dbraw/zinc/01/67/92/550016792.db2.gz HAWCBBNNKPEBAL-IBGZPJMESA-N 1 0 354.498 2.250 20 30 FEEDRO C=CC[NH+]1CCC(Nc2ccc(S(N)(=O)=O)cc2C(F)(F)F)CC1 ZINC000266398663 550020084 /nfs/dbraw/zinc/02/00/84/550020084.db2.gz OZEAZMYUCIPMAP-UHFFFAOYSA-N 1 0 363.405 2.415 20 30 FEEDRO C#CCOc1cc(F)ccc1NC(=O)N1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000266400846 550020097 /nfs/dbraw/zinc/02/00/97/550020097.db2.gz MBWRKJQCCULUPU-QGZVFWFLSA-N 1 0 374.460 2.081 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)c2ccccc2CN2CCOCC2)CC1 ZINC000266836732 550024587 /nfs/dbraw/zinc/02/45/87/550024587.db2.gz MHWQGWUNGZZKFV-UHFFFAOYSA-N 1 0 357.498 2.289 20 30 FEEDRO C[C@H](NC(=O)CON=C(N)c1ccc(C[NH+](C)C)cc1)c1cccs1 ZINC000267033238 550027275 /nfs/dbraw/zinc/02/72/75/550027275.db2.gz WGFDOWVZZFXARM-ZDUSSCGKSA-N 1 0 360.483 2.324 20 30 FEEDRO COc1ccc(NC(=[NH2+])NCCCN2c3ccccc3OCC2=O)cc1 ZINC000267440861 550031450 /nfs/dbraw/zinc/03/14/50/550031450.db2.gz OZECIDGNLOHOAK-UHFFFAOYSA-N 1 0 354.410 2.238 20 30 FEEDRO CC[C@H](C)NC(=[NH2+])NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N ZINC000267428097 550031799 /nfs/dbraw/zinc/03/17/99/550031799.db2.gz LXCJTTQIYNBGGO-LBPRGKRZSA-N 1 0 357.437 2.101 20 30 FEEDRO C[C@H]1Oc2ccc(NC(=O)N(CCC#N)CCC[NH+](C)C)cc2NC1=O ZINC000267912025 550035217 /nfs/dbraw/zinc/03/52/17/550035217.db2.gz FIEYPCABGLCMJY-CYBMUJFWSA-N 1 0 359.430 2.105 20 30 FEEDRO CC[NH+](CC)C[C@H]1CCN(C(=O)C(=O)Nc2ccc(C#N)cc2Cl)C1 ZINC000269098246 550154764 /nfs/dbraw/zinc/15/47/64/550154764.db2.gz MZMVUMVDCOADLZ-CQSZACIVSA-N 1 0 362.861 2.340 20 30 FEEDRO CN(CC(=O)NCc1ccc(C#N)cc1)Cc1cn(C)nc1C(F)(F)F ZINC000269667581 550215334 /nfs/dbraw/zinc/21/53/34/550215334.db2.gz SYDGVITWJPNEMH-UHFFFAOYSA-N 1 0 365.359 2.059 20 30 FEEDRO C[NH+](C)C(C)(C)CNC(=O)C(=O)Nc1nc(-c2cccc(C#N)c2)cs1 ZINC000269847881 550230375 /nfs/dbraw/zinc/23/03/75/550230375.db2.gz XDYFAIUQCLLQBG-UHFFFAOYSA-N 1 0 371.466 2.077 20 30 FEEDRO Cn1ccnc1[C@](O)(CCNC(=[NH2+])NC1CCCCCC1)C(F)(F)F ZINC000271308982 550363237 /nfs/dbraw/zinc/36/32/37/550363237.db2.gz YDNIDEASCBOMKN-OAHLLOKOSA-N 1 0 361.412 2.187 20 30 FEEDRO COc1cccc(C[N@H+](CCC(=O)N(C)CCC#N)C[C@@H]2CCCO2)c1 ZINC000271492970 550379657 /nfs/dbraw/zinc/37/96/57/550379657.db2.gz FSVBEJXJSDFAJK-IBGZPJMESA-N 1 0 359.470 2.438 20 30 FEEDRO CC[C@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1ccc2c(c1)OCCO2 ZINC000271499436 550380127 /nfs/dbraw/zinc/38/01/27/550380127.db2.gz QLJNEYFZILUKSR-JGWKNBOWSA-N 1 0 357.410 2.025 20 30 FEEDRO N#CCCN(CCC#N)C(=O)C[NH2+][C@H](C[C@H]1CCOC1)c1ccccc1 ZINC000271770604 550400610 /nfs/dbraw/zinc/40/06/10/550400610.db2.gz ITCCYLHVPKFFLE-IEBWSBKVSA-N 1 0 354.454 2.400 20 30 FEEDRO CC[NH+](CC)CCOc1ccccc1CNS(=O)(=O)CC1(C#N)CC1 ZINC000272808003 550471849 /nfs/dbraw/zinc/47/18/49/550471849.db2.gz BXLPTQRHIOSOHS-UHFFFAOYSA-N 1 0 365.499 2.130 20 30 FEEDRO COCCOc1ccc(C#N)cc1NC(=O)N[C@H](C)C1=CC[N@H+](C)CC1 ZINC000273149983 550487465 /nfs/dbraw/zinc/48/74/65/550487465.db2.gz HPHLBRXGHPLLLC-CQSZACIVSA-N 1 0 358.442 2.355 20 30 FEEDRO C[N@H+]1CC=C(CNS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)CC1 ZINC000274054093 550521259 /nfs/dbraw/zinc/52/12/59/550521259.db2.gz ZGDXUPGYNINRDQ-UHFFFAOYSA-N 1 0 359.373 2.117 20 30 FEEDRO C[NH+]1CCN(c2ccc(CNc3cc(C#N)ccc3[N+](=O)[O-])cn2)CC1 ZINC000274363730 550534515 /nfs/dbraw/zinc/53/45/15/550534515.db2.gz WJUPXZWPMQMCOT-UHFFFAOYSA-N 1 0 352.398 2.225 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)NCCCCCS(C)(=O)=O)C(C)C ZINC000274896805 550563239 /nfs/dbraw/zinc/56/32/39/550563239.db2.gz FGNZFQWUFFPLQF-QGZVFWFLSA-N 1 0 373.563 2.199 20 30 FEEDRO C=CCn1c(C)cc(C(=O)CN2CC[C@H](C(=O)NCC(F)(F)F)C2)c1C ZINC000275071753 550570438 /nfs/dbraw/zinc/57/04/38/550570438.db2.gz AKBHRXLWQVSNDZ-AWEZNQCLSA-N 1 0 371.403 2.474 20 30 FEEDRO COC[C@@H](C)NC(=[NH2+])NCc1cccc(-c2nc(C(=O)OC)cs2)c1 ZINC000276560886 550579151 /nfs/dbraw/zinc/57/91/51/550579151.db2.gz BLKZMCSCZSMHBY-LLVKDONJSA-N 1 0 362.455 2.036 20 30 FEEDRO Cn1cnc2cc(C[NH2+][C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)ccc21 ZINC000277173055 550640014 /nfs/dbraw/zinc/64/00/14/550640014.db2.gz IBHQXDJUSPIGER-SFHVURJKSA-N 1 0 359.433 2.336 20 30 FEEDRO C#CCC(CC#C)C(=O)N[C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000277304148 550653928 /nfs/dbraw/zinc/65/39/28/550653928.db2.gz BDIUGIZQJAWBLI-INIZCTEOSA-N 1 0 355.457 2.418 20 30 FEEDRO C=C[C@H]1CCCCN1C(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000494907389 561478937 /nfs/dbraw/zinc/47/89/37/561478937.db2.gz IKCCQIKHPXKKMZ-SFHVURJKSA-N 1 0 358.486 2.228 20 30 FEEDRO CC(C)(C#N)CC(=O)N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000278283570 550768493 /nfs/dbraw/zinc/76/84/93/550768493.db2.gz QLEVRFQOGXHADR-SFHVURJKSA-N 1 0 369.513 2.382 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N2CCC[C@H](Oc3ncccc3F)C2)CC1 ZINC000278468260 550789870 /nfs/dbraw/zinc/78/98/70/550789870.db2.gz QAPIKPGSFBQZNN-INIZCTEOSA-N 1 0 362.449 2.424 20 30 FEEDRO C#CCOc1ccccc1NC(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC000278796069 550822853 /nfs/dbraw/zinc/82/28/53/550822853.db2.gz YQXBQIZPVGRDNN-MRXNPFEDSA-N 1 0 357.454 2.416 20 30 FEEDRO N#Cc1ccc(N2CCC[C@@H](NC(=O)C3CC[NH+](C4CC4)CC3)C2=O)cc1 ZINC000278823349 550825918 /nfs/dbraw/zinc/82/59/18/550825918.db2.gz PVLSWJNENHMCFN-LJQANCHMSA-N 1 0 366.465 2.044 20 30 FEEDRO C[N@@H+]1CC[C@@H]2CCN(Cc3cn(CCC#N)nc3-c3ccncc3)[C@@H]2C1 ZINC000279411103 550886987 /nfs/dbraw/zinc/88/69/87/550886987.db2.gz NVHOSNFTLMBHIF-VQIMIIECSA-N 1 0 350.470 2.385 20 30 FEEDRO C=CCc1ccc(OCC(=O)N2C[C@@H]([NH+](C)C)[C@@H](SC)C2)c(OC)c1 ZINC000495551205 561489546 /nfs/dbraw/zinc/48/95/46/561489546.db2.gz UQLJNWILUPAPIS-QAPCUYQASA-N 1 0 364.511 2.307 20 30 FEEDRO Cc1nc(C#N)c(N2CCC(C(=O)NCC3([NH+](C)C)CCCCC3)CC2)o1 ZINC000280203142 550970783 /nfs/dbraw/zinc/97/07/83/550970783.db2.gz IPVRSUZQDZXBBB-UHFFFAOYSA-N 1 0 373.501 2.452 20 30 FEEDRO C=CCCCNC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000280391156 550988627 /nfs/dbraw/zinc/98/86/27/550988627.db2.gz GGMVPDMFXBQFKG-UHFFFAOYSA-N 1 0 353.850 2.301 20 30 FEEDRO C=CCCCNC(=O)C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000280532681 551004674 /nfs/dbraw/zinc/00/46/74/551004674.db2.gz RVHZMGDFSIYFCD-UHFFFAOYSA-N 1 0 361.511 2.299 20 30 FEEDRO C[C@@H]([NH2+]CCCCC#N)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000280727010 551025825 /nfs/dbraw/zinc/02/58/25/551025825.db2.gz NRZSTJIHBHIJHU-SNVBAGLBSA-N 1 0 360.277 2.441 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)Nc1ccn(C(C)C)n1)C(C)C ZINC000280738415 551026961 /nfs/dbraw/zinc/02/69/61/551026961.db2.gz MADISKQFFHXJCR-MRXNPFEDSA-N 1 0 361.490 2.217 20 30 FEEDRO C=C(C)[C@H]1OCC[C@H]1CNC(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000280897303 551043622 /nfs/dbraw/zinc/04/36/22/551043622.db2.gz FUGVACIYOHUASO-RBUKOAKNSA-N 1 0 357.498 2.366 20 30 FEEDRO C=CCN1CC[C@H](Nc2cccc(N3CC[NH+](CC4CC4)CC3)c2)C1=O ZINC000281145992 551068305 /nfs/dbraw/zinc/06/83/05/551068305.db2.gz JPPMJKPGOKURIZ-FQEVSTJZSA-N 1 0 354.498 2.417 20 30 FEEDRO CNC(=O)[C@@]1(C)CC[N@H+](CC(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000281180307 551071447 /nfs/dbraw/zinc/07/14/47/551071447.db2.gz QSXDIGPJBMXIKV-FQEVSTJZSA-N 1 0 356.470 2.008 20 30 FEEDRO CNC(=O)[C@@]1(C)CC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000281260605 551078712 /nfs/dbraw/zinc/07/87/12/551078712.db2.gz VKTBFAGKKRDTCJ-UWJYYQICSA-N 1 0 370.497 2.397 20 30 FEEDRO C=CCN1CC[C@H]([N@@H+](C)Cc2ccc(OCc3nccn3C)cc2)C1=O ZINC000281330704 551085469 /nfs/dbraw/zinc/08/54/69/551085469.db2.gz RWHGAGWKPOWXAR-SFHVURJKSA-N 1 0 354.454 2.218 20 30 FEEDRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2ccc(C#N)c(OC)c2)cc1 ZINC000281638193 551123955 /nfs/dbraw/zinc/12/39/55/551123955.db2.gz IRHNFBKXKVSHGN-CYBMUJFWSA-N 1 0 359.451 2.326 20 30 FEEDRO Cc1nc(C#N)c(N2CCC(C(=O)N[C@H]3CCC[N@@H+](C(C)C)C3)CC2)o1 ZINC000281694492 551131646 /nfs/dbraw/zinc/13/16/46/551131646.db2.gz VMBWLOHWQYSQCR-INIZCTEOSA-N 1 0 359.474 2.060 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccc(OCC(=O)OCC)cc2)CC1 ZINC000281966763 551163622 /nfs/dbraw/zinc/16/36/22/551163622.db2.gz DZOQKBYJRUBJSM-UHFFFAOYSA-N 1 0 361.442 2.400 20 30 FEEDRO C=CCOc1ccccc1CNC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000281998007 551167678 /nfs/dbraw/zinc/16/76/78/551167678.db2.gz XFYXBLSFEDMITI-UHFFFAOYSA-N 1 0 360.502 2.077 20 30 FEEDRO COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@@H](C)[N@@H+]2CCC(=O)Nc2ccccc2C#N)O1 ZINC000282348794 551215019 /nfs/dbraw/zinc/21/50/19/551215019.db2.gz CLQRKYMBYDMHLX-ZSGPHXLJSA-N 1 0 371.437 2.070 20 30 FEEDRO C=CCn1c(C(=O)NC(C)C)nnc1N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000282443513 551229821 /nfs/dbraw/zinc/22/98/21/551229821.db2.gz ZRVCRUPIESOTAL-WBVHZDCISA-N 1 0 372.517 2.055 20 30 FEEDRO COCC1(CNC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)CCC1 ZINC000282457409 551232067 /nfs/dbraw/zinc/23/20/67/551232067.db2.gz LICNQWWHSFDGFM-UHFFFAOYSA-N 1 0 358.486 2.448 20 30 FEEDRO C=CCOc1ccc(C(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)cc1 ZINC000497462080 561501314 /nfs/dbraw/zinc/50/13/14/561501314.db2.gz OOWYTDLCQRDDNZ-FXAWDEMLSA-N 1 0 357.498 2.349 20 30 FEEDRO Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000283232245 551333072 /nfs/dbraw/zinc/33/30/72/551333072.db2.gz RUZHJDIGVQUVJJ-KRWDZBQOSA-N 1 0 366.469 2.330 20 30 FEEDRO C=C(C)Cn1c(-c2ccc[nH]2)nnc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC000283442165 551366576 /nfs/dbraw/zinc/36/65/76/551366576.db2.gz YWDGQOJUKATZQT-UHFFFAOYSA-N 1 0 370.501 2.398 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)c2cc(C)ccc2OC)CC1 ZINC000283556323 551387340 /nfs/dbraw/zinc/38/73/40/551387340.db2.gz QWZWUXXSERWESR-INIZCTEOSA-N 1 0 373.497 2.338 20 30 FEEDRO Cc1cc(CNC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n(C)n1 ZINC000283801340 551429596 /nfs/dbraw/zinc/42/95/96/551429596.db2.gz AYWDFGPPGJCAMS-UHFFFAOYSA-N 1 0 366.469 2.018 20 30 FEEDRO CC(C)NC(=S)C(C(=O)c1cnn(C)n1)[n+]1ccc(C(C)(C)C)cc1 ZINC000284535784 551571795 /nfs/dbraw/zinc/57/17/95/551571795.db2.gz VGSCTEZTHBVNKB-UHFFFAOYSA-O 1 0 360.507 2.337 20 30 FEEDRO C=CCCN(C)C(=O)C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000284688941 551608866 /nfs/dbraw/zinc/60/88/66/551608866.db2.gz MKVQMQDXGUZBSE-UHFFFAOYSA-N 1 0 363.889 2.455 20 30 FEEDRO CC[NH+](CC)CCOc1ccccc1CNC(=O)Cc1noc(C)c1C#N ZINC000498536726 561527267 /nfs/dbraw/zinc/52/72/67/561527267.db2.gz NBDKPBZSOHFTLT-UHFFFAOYSA-N 1 0 370.453 2.434 20 30 FEEDRO C=CCS(=O)(=O)CC[NH2+][C@@H]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000285048289 551696572 /nfs/dbraw/zinc/69/65/72/551696572.db2.gz IILBXQDGJGJGGE-MRXNPFEDSA-N 1 0 366.483 2.230 20 30 FEEDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000285221421 551722712 /nfs/dbraw/zinc/72/27/12/551722712.db2.gz FIDJMXLIZBCUPR-IUODEOHRSA-N 1 0 353.875 2.459 20 30 FEEDRO COC(=O)C1CC[NH+](CCCNC(=O)c2cc(C#N)ccc2Cl)CC1 ZINC000285317303 551736965 /nfs/dbraw/zinc/73/69/65/551736965.db2.gz XIUKHDPKVKKDTD-UHFFFAOYSA-N 1 0 363.845 2.217 20 30 FEEDRO C=CCC[C@H](NC(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccccc1 ZINC000285332234 551739722 /nfs/dbraw/zinc/73/97/22/551739722.db2.gz UJOBTSDOPLGXDD-APWZRJJASA-N 1 0 355.482 2.411 20 30 FEEDRO CC(C)[C@@H](CNC(=O)C(C)(C)c1cc(F)cc(C#N)c1)[NH+]1CCN(C)CC1 ZINC000285360731 551743513 /nfs/dbraw/zinc/74/35/13/551743513.db2.gz AJPAKBKTDVBTAY-LJQANCHMSA-N 1 0 374.504 2.363 20 30 FEEDRO CN(CCC#N)c1ccc(C[NH2+]C[C@H](N2CCOCC2)C(F)(F)F)cc1 ZINC000285435868 551756673 /nfs/dbraw/zinc/75/66/73/551756673.db2.gz HSYUMUNVMWGTIG-KRWDZBQOSA-N 1 0 370.419 2.389 20 30 FEEDRO CC(C)(C(=O)N1CCN(CC[NH+]2CCCC2)CC1)c1cc(F)cc(C#N)c1 ZINC000285502030 551766159 /nfs/dbraw/zinc/76/61/59/551766159.db2.gz PQEXWQJFWIPFTC-UHFFFAOYSA-N 1 0 372.488 2.215 20 30 FEEDRO CC[N@@H+]1C[C@@H](C)N(CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C[C@@H]1C ZINC000498941396 561538737 /nfs/dbraw/zinc/53/87/37/561538737.db2.gz YZRKWIBSKGXARC-JKSUJKDBSA-N 1 0 366.469 2.097 20 30 FEEDRO C[N@@H+]1CCN(CCNC(=O)C(C)(C)c2cc(F)cc(C#N)c2)CC1(C)C ZINC000285844748 551818264 /nfs/dbraw/zinc/81/82/64/551818264.db2.gz GORXBDSDQJZARK-UHFFFAOYSA-N 1 0 360.477 2.117 20 30 FEEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000285926049 551828315 /nfs/dbraw/zinc/82/83/15/551828315.db2.gz TXYFMJFHGBDDFA-CZUORRHYSA-N 1 0 356.470 2.294 20 30 FEEDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)C1 ZINC000286034702 551840937 /nfs/dbraw/zinc/84/09/37/551840937.db2.gz BGLRHMWJEVCXPB-ZHALLVOQSA-N 1 0 370.472 2.466 20 30 FEEDRO C=CCC[C@H]([NH2+]CCC(=O)N1CCN(c2ncccn2)CC1)c1ccco1 ZINC000286215027 551862178 /nfs/dbraw/zinc/86/21/78/551862178.db2.gz SEKHDUZDANBHIO-KRWDZBQOSA-N 1 0 369.469 2.405 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N(CCCC)Cc2ccccc2O)CC1 ZINC000286427489 551885071 /nfs/dbraw/zinc/88/50/71/551885071.db2.gz GGKBCUXDBIRLIQ-UHFFFAOYSA-N 1 0 373.497 2.288 20 30 FEEDRO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2S(=O)(=O)c1ccc(C#N)o1 ZINC000286442955 551885662 /nfs/dbraw/zinc/88/56/62/551885662.db2.gz HZVURXGMMZMNLM-NVXWUHKLSA-N 1 0 357.435 2.456 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H](C)c2ccc(C)cc2)CC1 ZINC000286460994 551888048 /nfs/dbraw/zinc/88/80/48/551888048.db2.gz IBPSALRRIHPXFJ-QGZVFWFLSA-N 1 0 357.498 2.371 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@](C)(c3ccccc3)C2)CC1 ZINC000286492290 551892352 /nfs/dbraw/zinc/89/23/52/551892352.db2.gz JXVKVPXPJNWVGX-JOCHJYFZSA-N 1 0 369.509 2.333 20 30 FEEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1CC(=O)N(C(C)(C)C)C1 ZINC000499043103 561541836 /nfs/dbraw/zinc/54/18/36/561541836.db2.gz KECBGXBYRIAVOR-SFHVURJKSA-N 1 0 370.497 2.095 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(C)CC2(c3ccccc3)CC2)CC1 ZINC000286611413 551905799 /nfs/dbraw/zinc/90/57/99/551905799.db2.gz LIXLLYKDRXCJJT-UHFFFAOYSA-N 1 0 369.509 2.333 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCC[C@@H]2c2ccccc2)CC1 ZINC000286624317 551907592 /nfs/dbraw/zinc/90/75/92/551907592.db2.gz MBRDFFWTZDKZJO-RTBURBONSA-N 1 0 355.482 2.206 20 30 FEEDRO C[C@H]1CN(C(=O)C(C)(C)c2cc(F)cc(C#N)c2)CC[N@@H+]1CC(C)(C)O ZINC000286655052 551911156 /nfs/dbraw/zinc/91/11/56/551911156.db2.gz CGGZTHBIJZAFCP-AWEZNQCLSA-N 1 0 361.461 2.279 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N(CC(=C)C)Cc2ccccc2)CC1 ZINC000286672787 551913119 /nfs/dbraw/zinc/91/31/19/551913119.db2.gz OMMHXACXGYSKAV-UHFFFAOYSA-N 1 0 355.482 2.358 20 30 FEEDRO N#Cc1cc(NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)cc(N)c1[N+](=O)[O-] ZINC000286729353 551919604 /nfs/dbraw/zinc/91/96/04/551919604.db2.gz FMZGVWLHEHLXJY-QGZVFWFLSA-N 1 0 367.409 2.227 20 30 FEEDRO C=CCCCCNC(=O)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000286795981 551926741 /nfs/dbraw/zinc/92/67/41/551926741.db2.gz NXLKKJCRPHLZMI-UHFFFAOYSA-N 1 0 357.498 2.487 20 30 FEEDRO Cc1ccc(C#N)cc1NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000287129700 551967090 /nfs/dbraw/zinc/96/70/90/551967090.db2.gz UORIHCNFYRVOMT-ALOPSCKCSA-N 1 0 369.469 2.072 20 30 FEEDRO Cn1ccnc1[C@H]1OCC[C@@H]1[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000287311360 551988167 /nfs/dbraw/zinc/98/81/67/551988167.db2.gz DZEMIOIRGCFQHZ-OALUTQOASA-N 1 0 351.454 2.380 20 30 FEEDRO CCC[C@@H]1CN(C(=O)[C@H](C)Oc2ccc(C#N)cc2)CC[N@@H+]1CCOC ZINC000499440163 561550901 /nfs/dbraw/zinc/55/09/01/561550901.db2.gz BPGQAXWQTXMANQ-FUHWJXTLSA-N 1 0 359.470 2.285 20 30 FEEDRO C[C@@H](C[NH+](C)C)NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000288063658 552083941 /nfs/dbraw/zinc/08/39/41/552083941.db2.gz FWTJZDZMOIBTPO-AWEZNQCLSA-N 1 0 366.421 2.355 20 30 FEEDRO C#C[C@H](NC(=O)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1)C(C)(C)C ZINC000288334030 552135149 /nfs/dbraw/zinc/13/51/49/552135149.db2.gz HVMSTMGDPDDZBI-SFHVURJKSA-N 1 0 355.482 2.428 20 30 FEEDRO C=CCN1CC[C@@H]([N@H+](C)C[C@@H](O)COc2ccc(C(C)(C)C)cc2)C1=O ZINC000499964088 561563062 /nfs/dbraw/zinc/56/30/62/561563062.db2.gz LGKUQTFMTNJUAL-IEBWSBKVSA-N 1 0 360.498 2.443 20 30 FEEDRO C=CCN1CC[C@H]([N@@H+](C)C[C@@H](O)COc2ccc(/C=C/C)cc2OC)C1=O ZINC000500019139 561564149 /nfs/dbraw/zinc/56/41/49/561564149.db2.gz MVVXAKUXOOAGBL-MJMQLPLLSA-N 1 0 374.481 2.187 20 30 FEEDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)C(=O)Nc1ccc(C#N)cc1Cl ZINC000289120928 552269400 /nfs/dbraw/zinc/26/94/00/552269400.db2.gz QHPUMIQOWMXKEV-TZMCWYRMSA-N 1 0 360.845 2.235 20 30 FEEDRO C[C@@H](c1nc(N)nc(Cl)n1)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000289399686 552314868 /nfs/dbraw/zinc/31/48/68/552314868.db2.gz RWXGRPMERBPRKR-ZDUSSCGKSA-N 1 0 371.876 2.248 20 30 FEEDRO C=CCOc1cccc(C[NH+]2CCC(C(=O)N3CCN(C)CC3)CC2)c1 ZINC000289913071 552398664 /nfs/dbraw/zinc/39/86/64/552398664.db2.gz VDHZWIPNRWOCQC-UHFFFAOYSA-N 1 0 357.498 2.237 20 30 FEEDRO CC(C)(C)OC(=O)N1CCN([C@H]2CC[N@H+](Cc3ccc(C#N)o3)C2)CC1 ZINC000289975729 552408452 /nfs/dbraw/zinc/40/84/52/552408452.db2.gz ZNUNGQNPLOAGPS-HNNXBMFYSA-N 1 0 360.458 2.278 20 30 FEEDRO C[C@](C#N)(NC(=O)C[NH2+][C@H]1c2ccccc2CC12CCOCC2)C1CC1 ZINC000290051066 552420437 /nfs/dbraw/zinc/42/04/37/552420437.db2.gz DLEIFKUGQIVJLX-VQTJNVASSA-N 1 0 353.466 2.479 20 30 FEEDRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)Nc1ccc(C#N)c(F)c1 ZINC000290266525 552451242 /nfs/dbraw/zinc/45/12/42/552451242.db2.gz OXJZUIDIZKVNKW-CQSZACIVSA-N 1 0 360.433 2.407 20 30 FEEDRO COC(=O)c1c(F)ccc(NC(=O)N(CCC#N)CCC[NH+](C)C)c1F ZINC000290390554 552471422 /nfs/dbraw/zinc/47/14/22/552471422.db2.gz GVBLYYBTIVOEKC-UHFFFAOYSA-N 1 0 368.384 2.451 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N[C@H](C)c2noc(COC(C)C)n2)CC1 ZINC000290759160 552533533 /nfs/dbraw/zinc/53/35/33/552533533.db2.gz PUJRFXMSBDQMKT-CYBMUJFWSA-N 1 0 351.451 2.005 20 30 FEEDRO C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000291068300 552582859 /nfs/dbraw/zinc/58/28/59/552582859.db2.gz QJZLPOMQFBFNJC-SJORKVTESA-N 1 0 374.533 2.257 20 30 FEEDRO CN(CCC[N@H+](C)Cc1ccco1)S(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000291834977 552666719 /nfs/dbraw/zinc/66/67/19/552666719.db2.gz AGKDALKOEFGOAW-UHFFFAOYSA-N 1 0 365.430 2.433 20 30 FEEDRO N#Cc1ccc(O[C@H]2CCN(CC(=O)Nc3ccc(F)cc3F)C2)nc1 ZINC000292178562 552701811 /nfs/dbraw/zinc/70/18/11/552701811.db2.gz MGYHMNDOFICMFZ-AWEZNQCLSA-N 1 0 358.348 2.323 20 30 FEEDRO COc1cccc(NC(=O)CC[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)c1 ZINC000292241080 552708000 /nfs/dbraw/zinc/70/80/00/552708000.db2.gz QGBGCXPWJLBDDO-GOSISDBHSA-N 1 0 366.421 2.444 20 30 FEEDRO CS[C@H]1CN(C(=O)c2cnc(C(F)(F)F)c(C#N)c2)C[C@H]1[NH+](C)C ZINC000293317561 552810903 /nfs/dbraw/zinc/81/09/03/552810903.db2.gz FJAWZEWIYBRSKW-NEPJUHHUSA-N 1 0 358.389 2.090 20 30 FEEDRO Cc1ccc(C#N)cc1NC(=O)C(=O)N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC000293522229 552832177 /nfs/dbraw/zinc/83/21/77/552832177.db2.gz YMWYQDMSJWHHBW-CQSZACIVSA-N 1 0 354.454 2.138 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1 ZINC000294103239 552882033 /nfs/dbraw/zinc/88/20/33/552882033.db2.gz YNKKNZMHSIBVHG-ZHACJKMWSA-N 1 0 367.493 2.010 20 30 FEEDRO C=CCS(=O)(=O)CC[NH2+][C@H](C)c1ccc(N2CCCOC2=O)cc1 ZINC000294527678 552913002 /nfs/dbraw/zinc/91/30/02/552913002.db2.gz ZROANOUNXLQRST-CQSZACIVSA-N 1 0 352.456 2.285 20 30 FEEDRO CN(C)[C@@H](CNS(=O)(=O)Cc1ccc(F)cc1C#N)c1ccccc1 ZINC000294537610 552914027 /nfs/dbraw/zinc/91/40/27/552914027.db2.gz VRBUPNGGECLONI-SFHVURJKSA-N 1 0 361.442 2.420 20 30 FEEDRO C=CCOc1cccc(NC(=O)C(=O)N2CC[N@@H+](C3CC3)C[C@@H](C)C2)c1 ZINC000296011773 553089211 /nfs/dbraw/zinc/08/92/11/553089211.db2.gz KGMBJBMVSAPNSJ-OAHLLOKOSA-N 1 0 357.454 2.133 20 30 FEEDRO C#Cc1cc(F)c(NC(=O)C(=O)NC2CC[NH+](C3CCC3)CC2)c(F)c1 ZINC000296287496 553135634 /nfs/dbraw/zinc/13/56/34/553135634.db2.gz UVIIJQODOLURMX-UHFFFAOYSA-N 1 0 361.392 2.018 20 30 FEEDRO N#CC[C@@H]1CC[C@H](NC(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)C1 ZINC000296762424 553208391 /nfs/dbraw/zinc/20/83/91/553208391.db2.gz UZRCBEHFOVYGIB-ZYSHUDEJSA-N 1 0 356.470 2.135 20 30 FEEDRO C#Cc1ccc(CNC(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)cc1 ZINC000297037480 553245466 /nfs/dbraw/zinc/24/54/66/553245466.db2.gz XBKRSOBDINVIGD-WOJBJXKFSA-N 1 0 355.482 2.235 20 30 FEEDRO COc1cc(/C=C/C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)ccc1OCC#N ZINC000297049385 553246875 /nfs/dbraw/zinc/24/68/75/553246875.db2.gz OVIKUHGSGWHBLQ-AETKHAMZSA-N 1 0 355.438 2.352 20 30 FEEDRO C=CCOCCCC(=O)N1CC[C@@H](c2ccc(OC)c(F)c2)[C@H]([NH3+])C1 ZINC000297153099 553256709 /nfs/dbraw/zinc/25/67/09/553256709.db2.gz JCKAMIKXZUEUIN-DOTOQJQBSA-N 1 0 350.434 2.460 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1ccnc1 ZINC000297509515 553301827 /nfs/dbraw/zinc/30/18/27/553301827.db2.gz OYYMDWYJIDIQOA-VQTJNVASSA-N 1 0 365.481 2.366 20 30 FEEDRO C[C@H](C#N)CN(C)C(=O)C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000297635672 553318375 /nfs/dbraw/zinc/31/83/75/553318375.db2.gz IHKBMDKOXXELNY-LMMKCTJWSA-N 1 0 370.497 2.116 20 30 FEEDRO C=CCN(Cc1ccccc1)C(=O)C(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000298177637 553394530 /nfs/dbraw/zinc/39/45/30/553394530.db2.gz CZECANQGUYZFIC-OAQYLSRUSA-N 1 0 355.482 2.146 20 30 FEEDRO N#Cc1ccc(OC[C@@H](O)C[N@@H+](Cc2ccc(C(N)=O)cc2)C2CC2)cc1 ZINC000298226332 553400514 /nfs/dbraw/zinc/40/05/14/553400514.db2.gz AQWBNGHQQPYEER-IBGZPJMESA-N 1 0 365.433 2.061 20 30 FEEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[NH2+][C@H]3C(=O)NCC[C@H]3C)sc2C1 ZINC000298374110 553418143 /nfs/dbraw/zinc/41/81/43/553418143.db2.gz DBFMSWHKILMMAI-PSTGCABASA-N 1 0 374.510 2.187 20 30 FEEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000298614281 553449339 /nfs/dbraw/zinc/44/93/39/553449339.db2.gz RQWKNRXVSLBMKY-SFHVURJKSA-N 1 0 373.497 2.010 20 30 FEEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000298874360 553483512 /nfs/dbraw/zinc/48/35/12/553483512.db2.gz LWDVEFJPHHDWMD-QWHCGFSZSA-N 1 0 373.457 2.021 20 30 FEEDRO C[C@H](C#N)CN(C)C(=O)NCCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000298962108 553495789 /nfs/dbraw/zinc/49/57/89/553495789.db2.gz NBRWLTPMYHFNPO-LJQANCHMSA-N 1 0 371.529 2.385 20 30 FEEDRO COc1ccc(NC(=O)CO[NH+]=C(N)c2ccc(N(C)C)cc2)c(OC)c1 ZINC000299070372 553511376 /nfs/dbraw/zinc/51/13/76/553511376.db2.gz WPAUZUIECBHYEB-UHFFFAOYSA-N 1 0 372.425 2.045 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Cn1cnc2ccccc21 ZINC000299151042 553522008 /nfs/dbraw/zinc/52/20/08/553522008.db2.gz LAJPZQZNCPLANG-UHFFFAOYSA-N 1 0 361.449 2.498 20 30 FEEDRO COc1cccc(OC)c1OC[C@H](O)C[N@H+](C)Cc1cccc(C#N)c1 ZINC000299222339 553532587 /nfs/dbraw/zinc/53/25/87/553532587.db2.gz LRLFDQFUWCQDTF-QGZVFWFLSA-N 1 0 356.422 2.447 20 30 FEEDRO CCCCNC(=O)[C@H]1CCC[N@@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000299476136 553568520 /nfs/dbraw/zinc/56/85/20/553568520.db2.gz WZFYFGCROVHACA-PKOBYXMFSA-N 1 0 368.481 2.292 20 30 FEEDRO N#Cc1c(F)cccc1N1CCN(C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000504338694 561656499 /nfs/dbraw/zinc/65/64/99/561656499.db2.gz NJKOFLJHOOBCMN-HOTGVXAUSA-N 1 0 371.460 2.156 20 30 FEEDRO CC[NH+](CC)C[C@H](C)NC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000504440201 561658313 /nfs/dbraw/zinc/65/83/13/561658313.db2.gz AKFYUWDHCWMQRD-MAUKXSAKSA-N 1 0 371.485 2.083 20 30 FEEDRO C[C@@H](CNc1ccc(S(N)(=O)=O)cc1C#N)[N@@H+]1CCc2ccccc2C1 ZINC000301364860 553645501 /nfs/dbraw/zinc/64/55/01/553645501.db2.gz RUCVFQRPQFYQTB-AWEZNQCLSA-N 1 0 370.478 2.064 20 30 FEEDRO CCCC[N@@H+]1CCCC[C@H]1CNc1ccc(S(N)(=O)=O)cc1C#N ZINC000301394023 553648129 /nfs/dbraw/zinc/64/81/29/553648129.db2.gz CXVIWUWZQTVQCH-HNNXBMFYSA-N 1 0 350.488 2.272 20 30 FEEDRO Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)NCC[N@@H+]1CCCC1(C)C ZINC000602951596 553677978 /nfs/dbraw/zinc/67/79/78/553677978.db2.gz RHHBSMXLTKCUSJ-UHFFFAOYSA-N 1 0 367.457 2.443 20 30 FEEDRO Cc1cc(NC(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)ncc1C#N ZINC000603123125 553712973 /nfs/dbraw/zinc/71/29/73/553712973.db2.gz XHVVCAVHARALHY-JWTNVVGKSA-N 1 0 368.485 2.036 20 30 FEEDRO COc1ccc(CCNC(=[NH2+])NC[C@@H]2CC(=O)Nc3ccccc32)cc1 ZINC000304797650 553747747 /nfs/dbraw/zinc/74/77/47/553747747.db2.gz NJNFODALNSBALU-HNNXBMFYSA-N 1 0 352.438 2.268 20 30 FEEDRO C=CCCc1ccccc1NC(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000505621230 561675476 /nfs/dbraw/zinc/67/54/76/561675476.db2.gz PTWOURCPSXDSAW-IBGZPJMESA-N 1 0 361.511 2.297 20 30 FEEDRO CC1CCC([NH+]2CCN(C(=O)NCC3([S@](C)=O)CCC3)CC2)CC1 ZINC000328599094 553794796 /nfs/dbraw/zinc/79/47/96/553794796.db2.gz BRSIFXFAYMGYEV-WLNDFMDLSA-N 1 0 355.548 2.398 20 30 FEEDRO C[NH+](C)C1(CNC(=O)N2CCN(c3cccnn3)CC2)CCCCCC1 ZINC000328667551 553804828 /nfs/dbraw/zinc/80/48/28/553804828.db2.gz DFNGYUATELHIIG-UHFFFAOYSA-N 1 0 360.506 2.167 20 30 FEEDRO C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[N@@H+]1CCC[C@H]1[C@@H]1C[C@H](C)CC[C@@H]1O ZINC000328752693 553816425 /nfs/dbraw/zinc/81/64/25/553816425.db2.gz RYTSJBZYEPRKTK-SRIISGBFSA-N 1 0 365.518 2.214 20 30 FEEDRO C[C@@H]1C[C@H](NC(=O)[C@@H]2CCC(=O)N(C3CC3)[C@@H]2c2ccnn2C)CC[N@@H+]1C ZINC000328821226 553827667 /nfs/dbraw/zinc/82/76/67/553827667.db2.gz FPQBAHGFBQAKDU-UMHPPVOVSA-N 1 0 373.501 2.301 20 30 FEEDRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CC[C@H](C3CCOCC3)C2)C1 ZINC000328868096 553835919 /nfs/dbraw/zinc/83/59/19/553835919.db2.gz XFFAXFLTHUFOFH-ZWKOTPCHSA-N 1 0 353.507 2.006 20 30 FEEDRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)NCc1ccc(OC2CCCC2)cc1 ZINC000328901832 553841668 /nfs/dbraw/zinc/84/16/68/553841668.db2.gz ZOUGBHOJMVQWQX-KRWDZBQOSA-N 1 0 360.502 2.257 20 30 FEEDRO Cc1cnc([C@H](NC(=O)N2CC[C@@H]3OCCN(C)[C@@H]3C2)C2CC2)s1 ZINC000328989030 553859799 /nfs/dbraw/zinc/85/97/99/553859799.db2.gz FCJLCFDYYJNDIX-QLFBSQMISA-N 1 0 350.488 2.222 20 30 FEEDRO CC[N@@H+]1CCC[C@@H](NC(=O)N2CCN(C(C)=O)C3(CCCCC3)C2)C1 ZINC000329003269 553862608 /nfs/dbraw/zinc/86/26/08/553862608.db2.gz YBCMFLIKYNLAFV-QGZVFWFLSA-N 1 0 350.507 2.252 20 30 FEEDRO CC(C)n1nccc1[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000329032698 553868551 /nfs/dbraw/zinc/86/85/51/553868551.db2.gz QDYRMPCMBOUORP-JFIYKMOQSA-N 1 0 363.506 2.134 20 30 FEEDRO CN(C(=O)C1CCN(c2ccc(C#N)cc2F)CC1)[C@H]1C[NH+]2CCC1CC2 ZINC000329072849 553875343 /nfs/dbraw/zinc/87/53/43/553875343.db2.gz OMTGAMPPZXGLOO-FQEVSTJZSA-N 1 0 370.472 2.466 20 30 FEEDRO COC[C@@H]1CN(C(=O)NC2CC[NH+](C3CCCC3)CC2)CC(C)(C)O1 ZINC000329095495 553879571 /nfs/dbraw/zinc/87/95/71/553879571.db2.gz XVSRLQJDSXMUAH-KRWDZBQOSA-N 1 0 353.507 2.433 20 30 FEEDRO C[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)C1CCOCC1 ZINC000329111326 553882270 /nfs/dbraw/zinc/88/22/70/553882270.db2.gz KABNIYZSGZPZDB-LNRIEFBSSA-N 1 0 351.491 2.089 20 30 FEEDRO C[NH+]1CCC2(CCCN2C(=O)N[C@@H]2CC(=O)N(C3CCCCC3)C2)CC1 ZINC000329166307 553893356 /nfs/dbraw/zinc/89/33/56/553893356.db2.gz HWRHKHKPNINQJQ-MRXNPFEDSA-N 1 0 362.518 2.394 20 30 FEEDRO C[NH+]1CCC(Nc2ccccc2NC(=O)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000329179852 553896708 /nfs/dbraw/zinc/89/67/08/553896708.db2.gz MUWCIBHDZKOFLA-ZDUSSCGKSA-N 1 0 351.472 2.215 20 30 FEEDRO O=C(N[C@H]1CC(=O)N(C2CCCCC2)C1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000329194225 553899982 /nfs/dbraw/zinc/89/99/82/553899982.db2.gz UOPKERKASGFWFU-FUHWJXTLSA-N 1 0 362.518 2.394 20 30 FEEDRO CC1(C)C[C@H](NC(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C(C)(C)O1 ZINC000329237169 553908006 /nfs/dbraw/zinc/90/80/06/553908006.db2.gz KBMBOPYXBWEPSV-PMPSAXMXSA-N 1 0 353.507 2.214 20 30 FEEDRO O=C(CN1CCC[C@H](C[NH+]2CCOCC2)C1)Nc1ccc2c(c1)OCO2 ZINC000329234978 553908158 /nfs/dbraw/zinc/90/81/58/553908158.db2.gz IFURVAZRPYLRHC-OAHLLOKOSA-N 1 0 361.442 2.048 20 30 FEEDRO C[N@@H+]1CC[C@H]2CCN(C(=O)C3CCN(C(=O)Nc4ccccc4)CC3)[C@H]2C1 ZINC000329242004 553909461 /nfs/dbraw/zinc/90/94/61/553909461.db2.gz AAEHXXAUPFOYNR-LPHOPBHVSA-N 1 0 370.497 2.497 20 30 FEEDRO C[N@@H+]1CC[C@H]2CCN(C(=O)C3CCN(C(=O)Nc4ccccc4)CC3)[C@@H]2C1 ZINC000329242005 553909501 /nfs/dbraw/zinc/90/95/01/553909501.db2.gz AAEHXXAUPFOYNR-QFBILLFUSA-N 1 0 370.497 2.497 20 30 FEEDRO CC[C@@H]1CN(C(=O)NC2CC[NH+](C3CCCC3)CC2)C[C@H](C)S1(=O)=O ZINC000329257114 553912476 /nfs/dbraw/zinc/91/24/76/553912476.db2.gz DVEPHPPOJYYOOR-WMLDXEAASA-N 1 0 371.547 2.205 20 30 FEEDRO O=C(NCc1cn2cc(Cl)ccc2n1)N1CCOC[C@@H]1[C@@H]1CCCO1 ZINC000329289042 553918306 /nfs/dbraw/zinc/91/83/06/553918306.db2.gz QGPKPUNSXSYGHO-CABCVRRESA-N 1 0 364.833 2.282 20 30 FEEDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N[C@@H]2CCCN(C(=O)N3CCCC3)C2)C1 ZINC000329292779 553918933 /nfs/dbraw/zinc/91/89/33/553918933.db2.gz RHGRCTUUUWBDES-GVDBMIGSSA-N 1 0 365.522 2.043 20 30 FEEDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N[C@H]2CCCN(C(=O)N3CCCC3)C2)C1 ZINC000329292783 553918998 /nfs/dbraw/zinc/91/89/98/553918998.db2.gz RHGRCTUUUWBDES-YESZJQIVSA-N 1 0 365.522 2.043 20 30 FEEDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)N[C@@H]3CCN(c4ncccc4Cl)C3)[C@H]2C1 ZINC000329296262 553919546 /nfs/dbraw/zinc/91/95/46/553919546.db2.gz STZPWTDYSNWWOH-FMKPAKJESA-N 1 0 363.893 2.254 20 30 FEEDRO CCO[C@@H]1C[C@](O)(CNC(=O)[C@@H]2COCCN2C2CCCC2)C1(C)C ZINC000329312143 553923061 /nfs/dbraw/zinc/92/30/61/553923061.db2.gz GJOCSWDTUXLTII-FCEWJHQRSA-N 1 0 354.491 2.152 20 30 FEEDRO CCc1ccc(C(=O)N2CCN(C(=O)N[C@@H]3CC[N@@H+](C4CC4)C3)CC2)cc1 ZINC000329326801 553925888 /nfs/dbraw/zinc/92/58/88/553925888.db2.gz WVSDKKPHANQTCY-GOSISDBHSA-N 1 0 370.497 2.158 20 30 FEEDRO C[C@H](NC(=O)N[C@@H]1CCO[C@]2(CCOC2)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000329345669 553929287 /nfs/dbraw/zinc/92/92/87/553929287.db2.gz RATSTKRAPYLTMP-MIALQEHNSA-N 1 0 365.518 2.481 20 30 FEEDRO Cc1nc([C@@H]2CN(C(=O)NCC3([NH+](C)C)CCCCCC3)CCO2)no1 ZINC000329354516 553930699 /nfs/dbraw/zinc/93/06/99/553930699.db2.gz VKQZDTUXQQYILU-HNNXBMFYSA-N 1 0 365.478 2.320 20 30 FEEDRO Cc1nc([C@@H]2CN(C(=O)N[C@@H]3CC[N@@H+](C)[C@@H]3c3ccccc3)CCO2)no1 ZINC000329357343 553931752 /nfs/dbraw/zinc/93/17/52/553931752.db2.gz WPGLQVWNQJJHKD-IXDOHACOSA-N 1 0 371.441 2.111 20 30 FEEDRO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CC[C@H](C(=O)N2CCCC2)C1 ZINC000329400030 553939056 /nfs/dbraw/zinc/93/90/56/553939056.db2.gz YNTKRJRTVAKFQK-IOBOIYPZSA-N 1 0 374.529 2.250 20 30 FEEDRO CN(C(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1)[C@H]1C[NH+]2CCC1CC2 ZINC000329426968 553944699 /nfs/dbraw/zinc/94/46/99/553944699.db2.gz GPWZDVQQAQDFRB-MJGOQNOKSA-N 1 0 370.497 2.497 20 30 FEEDRO CC[C@@H]1C[C@H](C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)CC(=O)N1 ZINC000329460284 553950489 /nfs/dbraw/zinc/95/04/89/553950489.db2.gz RWDUYPIVQAKGBL-JKSUJKDBSA-N 1 0 359.474 2.435 20 30 FEEDRO CN(C(=O)N[C@H]1CCOC2(CCOCC2)C1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000329460740 553951101 /nfs/dbraw/zinc/95/11/01/553951101.db2.gz SFPLPWUCIPOKMA-PMRDEQMMSA-N 1 0 351.491 2.186 20 30 FEEDRO CC(C)[C@H](NC(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21)c1nnc2ccccn21 ZINC000329468456 553952286 /nfs/dbraw/zinc/95/22/86/553952286.db2.gz XIUSPNJDXRRHHV-UXLLHSPISA-N 1 0 356.474 2.366 20 30 FEEDRO CC[N@@H+]1CC[C@H](N(C)CC(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)C[C@H]1C ZINC000329513492 553960758 /nfs/dbraw/zinc/96/07/58/553960758.db2.gz LMKVFWWWXUVTOQ-HIFRSBDPSA-N 1 0 372.469 2.305 20 30 FEEDRO Cc1nccc(N2CCN(C([O-])=[NH+][C@@H]3CCc4ccccc4C3)CC2)n1 ZINC000329568463 553968680 /nfs/dbraw/zinc/96/86/80/553968680.db2.gz LNMBHVUCDFBZNA-GOSISDBHSA-N 1 0 351.454 2.379 20 30 FEEDRO CC[C@@H](C)[NH2+][C@@H](CNC(=O)C(=O)Nc1ccc(F)c(C#N)c1)c1ccco1 ZINC000506947366 561712306 /nfs/dbraw/zinc/71/23/06/561712306.db2.gz DFLNUOXWYUKSLY-WBMJQRKESA-N 1 0 372.400 2.474 20 30 FEEDRO CC[C@@H](C)[NH2+][C@@H](CNC(=O)C(=O)Nc1ccc(C#N)cc1)c1ccco1 ZINC000506950397 561712422 /nfs/dbraw/zinc/71/24/22/561712422.db2.gz KXSFMHVIFCWRDT-CJNGLKHVSA-N 1 0 354.410 2.335 20 30 FEEDRO O=C(C[N@@H+]1CCC[C@@H](C(=O)N2CCCC2)C1)NC[C@@H]1Cc2ccccc2O1 ZINC000329648262 553981820 /nfs/dbraw/zinc/98/18/20/553981820.db2.gz FBTKHWHMLUJRHO-MSOLQXFVSA-N 1 0 371.481 2.281 20 30 FEEDRO C[C@@H]1C[C@H](NC(=O)Nc2ncn(C(C)(C)C)n2)C[N@@H+]1Cc1ccccc1 ZINC000329720542 553994958 /nfs/dbraw/zinc/99/49/58/553994958.db2.gz BRKUBUZEQOODPD-ZBFHGGJFSA-N 1 0 356.474 3.022 20 30 FEEDRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)N1CCC[C@H]2C(=O)NC[C@H]21 ZINC000329723181 553995528 /nfs/dbraw/zinc/99/55/28/553995528.db2.gz CRKQPVFIAMYASC-IAGOWNOFSA-N 1 0 357.458 2.263 20 30 FEEDRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)NC1CCN(C(=O)C2CC2)CC1 ZINC000329742780 553998385 /nfs/dbraw/zinc/99/83/85/553998385.db2.gz PQZVEXXTFZGWLS-QGZVFWFLSA-N 1 0 350.507 2.108 20 30 FEEDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)NC1CCN(C(=O)C2CC2)CC1 ZINC000329742779 553998486 /nfs/dbraw/zinc/99/84/86/553998486.db2.gz PQZVEXXTFZGWLS-KRWDZBQOSA-N 1 0 350.507 2.108 20 30 FEEDRO CC[C@H](C)[C@H](NC(=O)N1CCCC1)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000329771423 554002838 /nfs/dbraw/zinc/00/28/38/554002838.db2.gz GTLZBLCWMCBQPH-KSZLIROESA-N 1 0 364.534 2.355 20 30 FEEDRO CN1CC[NH+](CC2(C)CCN(C(=O)Nc3cccc4c3OCO4)CC2)CC1 ZINC000329794005 554006823 /nfs/dbraw/zinc/00/68/23/554006823.db2.gz VUXMGKDIDWKRPC-UHFFFAOYSA-N 1 0 374.485 2.310 20 30 FEEDRO C[C@@H]1C[C@H](NC(=O)N2CCN(C(=O)C3CCCCC3)CC2)CC[N@@H+]1C ZINC000329800657 554008565 /nfs/dbraw/zinc/00/85/65/554008565.db2.gz IUAWODNSWYYWEQ-NVXWUHKLSA-N 1 0 350.507 2.108 20 30 FEEDRO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)Nc1cccc(N2C(=O)NC(C)(C)C2=O)c1 ZINC000329803899 554009112 /nfs/dbraw/zinc/00/91/12/554009112.db2.gz JYSCJQLVGYYQTE-STQMWFEESA-N 1 0 373.457 2.296 20 30 FEEDRO CC1CCN(C(=O)C2CCN(C(=O)N[C@@H]3CC[N@H+](C)[C@@H](C)C3)CC2)CC1 ZINC000329818487 554011481 /nfs/dbraw/zinc/01/14/81/554011481.db2.gz XEXZIRSFKJNBHF-FUHWJXTLSA-N 1 0 364.534 2.354 20 30 FEEDRO CN(CC1CC[NH+](C)CC1)C(=O)NC1CCN(c2nccs2)CC1 ZINC000329824089 554012773 /nfs/dbraw/zinc/01/27/73/554012773.db2.gz ZWMYZGSZUDYOSR-UHFFFAOYSA-N 1 0 351.520 2.300 20 30 FEEDRO CC[C@H]1CC[C@@H](C)N1C(=O)Nc1ccnc(C(=O)N2CCN(C)CC2)c1 ZINC000329860323 554020265 /nfs/dbraw/zinc/02/02/65/554020265.db2.gz XGKOEVLDZOTRJN-ZBFHGGJFSA-N 1 0 359.474 2.278 20 30 FEEDRO C[C@H](c1nccs1)N1CCN(C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)CC1 ZINC000329882208 554023854 /nfs/dbraw/zinc/02/38/54/554023854.db2.gz POUMEGVBWYFKDV-FMKPAKJESA-N 1 0 363.531 2.218 20 30 FEEDRO C[C@@H]1C[C@H](NC(=O)N2CCn3ncnc3C2)CC[N@@H+]1Cc1ccccc1 ZINC000329952429 554037733 /nfs/dbraw/zinc/03/77/33/554037733.db2.gz IUOFZKOCZZECKX-NVXWUHKLSA-N 1 0 354.458 2.061 20 30 FEEDRO CN(Cc1ccccc1NC(=O)[C@H]1CCCN1C)C(=O)[C@H]1CCC[N@@H+]1C ZINC000329959220 554038929 /nfs/dbraw/zinc/03/89/29/554038929.db2.gz QMKDHWJGLHBBRT-QZTJIDSGSA-N 1 0 358.486 2.421 20 30 FEEDRO CN1C[C@@H](NC(=O)NCc2ccccc2C[NH+]2CCCCCC2)CC1=O ZINC000329966907 554040910 /nfs/dbraw/zinc/04/09/10/554040910.db2.gz SEACQQCGFABDKB-SFHVURJKSA-N 1 0 358.486 2.297 20 30 FEEDRO CCN1CCN(C(=O)C(=O)Nc2ccccc2SC[C@@H](C)C#N)[C@@H](C)C1 ZINC000507380561 561727086 /nfs/dbraw/zinc/72/70/86/561727086.db2.gz LBMAXUOKNLYSQJ-GJZGRUSLSA-N 1 0 374.510 2.429 20 30 FEEDRO CC(=O)N1CCC[C@H](CNC(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000329989314 554044912 /nfs/dbraw/zinc/04/49/12/554044912.db2.gz HYCSZFKPIUVGJW-NVXWUHKLSA-N 1 0 352.523 2.259 20 30 FEEDRO CN(C)c1ncn(-c2cccc(NC(=O)N3CC[N@@H+]4CCCC[C@@H]4C3)c2)n1 ZINC000330013672 554049410 /nfs/dbraw/zinc/04/94/10/554049410.db2.gz MJFWGINSGHBTLI-QGZVFWFLSA-N 1 0 369.473 2.049 20 30 FEEDRO O=C(NC[C@@H]1CCC2(CCCCC2)O1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000330080927 554061274 /nfs/dbraw/zinc/06/12/74/554061274.db2.gz GPOYGIQXCQJGIM-ROUUACIJSA-N 1 0 365.518 2.436 20 30 FEEDRO CCC[N@@H+]1CC[C@@H](CNC(=O)N2CCC(c3nnc4n3CCCC4)CC2)C1 ZINC000330094097 554063396 /nfs/dbraw/zinc/06/33/96/554063396.db2.gz SJTOPMXDTMDZEP-INIZCTEOSA-N 1 0 374.533 2.440 20 30 FEEDRO CCO[C@@H]1C[C@H](NC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)[C@@H]1OC ZINC000330127576 554069323 /nfs/dbraw/zinc/06/93/23/554069323.db2.gz MYTBFPKMUPYKDI-DEORAPPZSA-N 1 0 351.491 2.042 20 30 FEEDRO CC(C)[C@@H]1OCCC[C@@H]1CNC(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000330175964 554078953 /nfs/dbraw/zinc/07/89/53/554078953.db2.gz JMYARAFCACNIMO-YSHGAJCASA-N 1 0 367.534 2.319 20 30 FEEDRO CCC1(CNC(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CCOCC1 ZINC000330206744 554085012 /nfs/dbraw/zinc/08/50/12/554085012.db2.gz FKTCPHGKMYUNQW-IAGOWNOFSA-N 1 0 353.507 2.075 20 30 FEEDRO CC(C)c1cc(NC(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)no1 ZINC000330250560 554093064 /nfs/dbraw/zinc/09/30/64/554093064.db2.gz HAPYNYXAICUGGU-HUUCEWRRSA-N 1 0 350.463 2.892 20 30 FEEDRO CC(C)N1C[C@H](NC(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)CC1=O ZINC000330257988 554094641 /nfs/dbraw/zinc/09/46/41/554094641.db2.gz RAQQHQCXKZPNEU-QZTJIDSGSA-N 1 0 358.486 2.164 20 30 FEEDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000330261778 554095341 /nfs/dbraw/zinc/09/53/41/554095341.db2.gz PIXASAAHBKHGHG-DZJNRPSUSA-N 1 0 363.502 2.043 20 30 FEEDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000330261779 554095372 /nfs/dbraw/zinc/09/53/72/554095372.db2.gz PIXASAAHBKHGHG-OWLYRPNTSA-N 1 0 363.502 2.043 20 30 FEEDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N[C@H]1CCOC2(CCOCC2)C1 ZINC000330268384 554096359 /nfs/dbraw/zinc/09/63/59/554096359.db2.gz RDOZCPDMBKMFNL-IKGGRYGDSA-N 1 0 353.507 2.339 20 30 FEEDRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1OCC(=O)N(C)[C@@H]1c1ccccc1 ZINC000330306738 554102839 /nfs/dbraw/zinc/10/28/39/554102839.db2.gz RRBFUGWLVGISHB-ATZDWAIDSA-N 1 0 359.470 2.416 20 30 FEEDRO CCC[N@@H+]1CC[C@@H](CNC(=O)N[C@H]2CCO[C@@H]2c2c(C)nn(C)c2C)C1 ZINC000330355270 554110690 /nfs/dbraw/zinc/11/06/90/554110690.db2.gz QLJFNYGVPDPHNW-BQFCYCMXSA-N 1 0 363.506 2.102 20 30 FEEDRO CC[NH+](CC)C[C@@H](C)NC(=O)N1CCN(C(=O)c2cccs2)CC1 ZINC000330483185 554127308 /nfs/dbraw/zinc/12/73/08/554127308.db2.gz UICQODRKHCANSI-CQSZACIVSA-N 1 0 352.504 2.150 20 30 FEEDRO Cc1nc(C)n(C[C@@H]2CCC[N@@H+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)C2)n1 ZINC000330659737 554152177 /nfs/dbraw/zinc/15/21/77/554152177.db2.gz ROKAAHADCVGOJA-LSBZLQRGSA-N 1 0 360.506 2.050 20 30 FEEDRO CCC[NH+]1CCC(CNC(=O)N2CCC(O)(C(F)(F)F)CC2)CC1 ZINC000330709012 554160954 /nfs/dbraw/zinc/16/09/54/554160954.db2.gz RKEHAVKSRLUBQR-UHFFFAOYSA-N 1 0 351.413 2.412 20 30 FEEDRO CCOc1cc(C(=O)N(C)C)ccc1NC(=O)N1CC[N@H+](C)[C@@H](C)[C@@H]1C ZINC000330883357 554183024 /nfs/dbraw/zinc/18/30/24/554183024.db2.gz JTPUPJCJALZPRT-KBPBESRZSA-N 1 0 362.474 2.357 20 30 FEEDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)Cc1ccc(F)cc1C#N ZINC000330913674 554187545 /nfs/dbraw/zinc/18/75/45/554187545.db2.gz RRRSAARUGJIXMX-ZNMIVQPWSA-N 1 0 367.490 2.483 20 30 FEEDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NS(=O)(=O)Cc1ccc(F)cc1C#N ZINC000330913673 554187614 /nfs/dbraw/zinc/18/76/14/554187614.db2.gz RRRSAARUGJIXMX-RBSFLKMASA-N 1 0 367.490 2.483 20 30 FEEDRO CC(C)CNC(=O)NC(=O)C[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@H](C)CC[C@H]1O ZINC000330915036 554188010 /nfs/dbraw/zinc/18/80/10/554188010.db2.gz JPANFDYLQPKRJM-YYIAUSFCSA-N 1 0 353.507 2.324 20 30 FEEDRO CC(C)CNC(=O)N1CCC[C@H](CC(=O)N2CCC(C[NH+](C)C)CC2)C1 ZINC000330917570 554188213 /nfs/dbraw/zinc/18/82/13/554188213.db2.gz WLJCWZRHLIPQJA-GOSISDBHSA-N 1 0 366.550 2.459 20 30 FEEDRO Cc1cc(C(C)C)nc(N2CCN(C(=O)N[C@H](C)CC[NH+](C)C)CC2)n1 ZINC000331004553 554199913 /nfs/dbraw/zinc/19/99/13/554199913.db2.gz LCGJLXQYXKFFBI-OAHLLOKOSA-N 1 0 362.522 2.285 20 30 FEEDRO CC[C@](C)(C#N)C(=O)N1CCC(CC(=O)N2CCC([NH+](C)C)CC2)CC1 ZINC000508694986 561769766 /nfs/dbraw/zinc/76/97/66/561769766.db2.gz OBIQKCOWRXUNSR-HXUWFJFHSA-N 1 0 362.518 2.108 20 30 FEEDRO C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@H](C2CCCC2)C(F)(F)F)[C@@H](C)C1 ZINC000331188712 554228360 /nfs/dbraw/zinc/22/83/60/554228360.db2.gz PUZAVLNQNYLDCF-SGMGOOAPSA-N 1 0 351.413 2.408 20 30 FEEDRO C[C@@H](NC(=O)N[C@H]1CCCO[C@@H]1c1cnn(C)c1)C(C)(C)C[NH+](C)C ZINC000331209179 554231694 /nfs/dbraw/zinc/23/16/94/554231694.db2.gz GOQOHAHXMGOUDR-VNQPRFMTSA-N 1 0 351.495 2.120 20 30 FEEDRO Cc1c(C(=O)NCC[N@@H+]2CCCC(C)(C)C2)cccc1S(N)(=O)=O ZINC000331301082 554244035 /nfs/dbraw/zinc/24/40/35/554244035.db2.gz RIQAWCJUTWKCBZ-UHFFFAOYSA-N 1 0 353.488 2.069 20 30 FEEDRO COc1cc(C)c(NC(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)cc1OC ZINC000331308332 554245235 /nfs/dbraw/zinc/24/52/35/554245235.db2.gz XCRWYIIEAGXRMV-AWEZNQCLSA-N 1 0 365.474 2.335 20 30 FEEDRO CC(C)(CC[NH+]1CCCCCC1)NS(=O)(=O)c1cccnc1C#N ZINC000331449148 554266049 /nfs/dbraw/zinc/26/60/49/554266049.db2.gz CMOAFYUBAVWHKK-UHFFFAOYSA-N 1 0 350.488 2.276 20 30 FEEDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(OC(C)C)c(C#N)c1 ZINC000508964733 561779481 /nfs/dbraw/zinc/77/94/81/561779481.db2.gz VDWNBSISORUFTH-KRWDZBQOSA-N 1 0 372.469 2.275 20 30 FEEDRO CC(C)(C)c1cc(C#N)c(NC(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)s1 ZINC000331849728 554330108 /nfs/dbraw/zinc/33/01/08/554330108.db2.gz VBEHWZRGQWEYSQ-IACUBPJLSA-N 1 0 374.510 2.442 20 30 FEEDRO N#Cc1ccc(C[NH2+]CCNS(=O)(=O)c2ccc(F)cc2Cl)cc1 ZINC000509406354 561798217 /nfs/dbraw/zinc/79/82/17/561798217.db2.gz WDFMZXMTXDHFMY-UHFFFAOYSA-N 1 0 367.833 2.419 20 30 FEEDRO CS[C@@H]1CN(S(=O)(=O)c2ccc(C#N)cc2C)C[C@H]1[NH+]1CCCC1 ZINC000332085851 554376892 /nfs/dbraw/zinc/37/68/92/554376892.db2.gz QXAJFUMGMOTRDN-HZPDHXFCSA-N 1 0 365.524 2.067 20 30 FEEDRO CC[NH+]1CCN([C@@H]2CCN(C(=O)C[C@H](CC#N)c3ccccc3)C2)CC1 ZINC000332328894 554426189 /nfs/dbraw/zinc/42/61/89/554426189.db2.gz UATBYEBDQYBPJI-VQTJNVASSA-N 1 0 354.498 2.312 20 30 FEEDRO N#Cc1cccc(F)c1CC(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000509854533 561816248 /nfs/dbraw/zinc/81/62/48/561816248.db2.gz WSITUIZVUBQQBW-UHFFFAOYSA-N 1 0 359.445 2.201 20 30 FEEDRO N#Cc1c2c(sc1NC(=O)CC[NH2+][C@H]1CCC(=O)N[C@@H]1C1CC1)CCC2 ZINC000333179207 554584496 /nfs/dbraw/zinc/58/44/96/554584496.db2.gz ROFFLZSLNFTAIB-KBXCAEBGSA-N 1 0 372.494 2.084 20 30 FEEDRO N#Cc1cnc2c(F)ccc(Cl)c2c1N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000333615863 554627994 /nfs/dbraw/zinc/62/79/94/554627994.db2.gz YRFORKKSJDAPFB-CYBMUJFWSA-N 1 0 359.836 2.383 20 30 FEEDRO C=CCOC[C@@H]1NC(=O)N(Cc2ccc(C[NH+]3CCCCC3)cc2)C1=O ZINC000348450147 554685156 /nfs/dbraw/zinc/68/51/56/554685156.db2.gz UVVSZRZDGPUNMJ-SFHVURJKSA-N 1 0 357.454 2.296 20 30 FEEDRO C=CCOC[C@H]1NC(=O)N([C@@H](C[N@H+](C)Cc2ccccc2)C(C)C)C1=O ZINC000348577014 554689212 /nfs/dbraw/zinc/68/92/12/554689212.db2.gz LKGBJUOJTBQGLZ-MSOLQXFVSA-N 1 0 359.470 2.266 20 30 FEEDRO CC[NH+]1CCN(c2ccc(-c3noc(-c4ccnc(C#N)c4)n3)cn2)CC1 ZINC000350104091 554760200 /nfs/dbraw/zinc/76/02/00/554760200.db2.gz YOWSPOIOAZGRJC-UHFFFAOYSA-N 1 0 361.409 2.207 20 30 FEEDRO C=CCNC(=O)Cc1noc(-c2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)n1 ZINC000350727211 554809991 /nfs/dbraw/zinc/80/99/91/554809991.db2.gz SVTOWGUZUOFPPE-HUUCEWRRSA-N 1 0 370.453 2.191 20 30 FEEDRO N#CC[C@@H]1C[C@H]2[C@H](CCC[C@H]2[NH2+]C[C@@H](O)CN2CCc3ccccc3C2)O1 ZINC000360790762 554889778 /nfs/dbraw/zinc/88/97/78/554889778.db2.gz CIYABQREDCZLMU-LMYCIYFBSA-N 1 0 369.509 2.235 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@](O)(c3ccc(F)cc3)C2)CC1 ZINC000360791317 554890241 /nfs/dbraw/zinc/89/02/41/554890241.db2.gz FKTDSINDJFOGRV-HXUWFJFHSA-N 1 0 361.461 2.469 20 30 FEEDRO C=CCOc1cccc(NC(=O)C(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@H]3C2)c1 ZINC000361479424 554921306 /nfs/dbraw/zinc/92/13/06/554921306.db2.gz UIAFPDPAWPWEGC-ZYSHUDEJSA-N 1 0 369.465 2.133 20 30 FEEDRO C=CCc1ccc(OCC(=O)NC[C@@H]2CN3CCCC[C@H]3CO2)c(OC)c1 ZINC000362719876 554983724 /nfs/dbraw/zinc/98/37/24/554983724.db2.gz PMSAVFNPBNGRKX-ZWKOTPCHSA-N 1 0 374.481 2.172 20 30 FEEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000362971806 555004431 /nfs/dbraw/zinc/00/44/31/555004431.db2.gz YXUDMVFURRREMY-OALUTQOASA-N 1 0 356.470 2.343 20 30 FEEDRO C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000363082129 555026523 /nfs/dbraw/zinc/02/65/23/555026523.db2.gz WZMYYGJREXHRAN-CHWSQXEVSA-N 1 0 350.850 2.076 20 30 FEEDRO N#Cc1cccc(CNC(=O)CN2CCC[N@H+](Cc3ccccc3)CC2)c1 ZINC000363085615 555027155 /nfs/dbraw/zinc/02/71/55/555027155.db2.gz ZIUWIDGOCICZKE-UHFFFAOYSA-N 1 0 362.477 2.382 20 30 FEEDRO C=CCn1c(C)cc(C(=O)CN2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c1C ZINC000363219851 555057197 /nfs/dbraw/zinc/05/71/97/555057197.db2.gz WNCOQOVRPSUOMG-IBGZPJMESA-N 1 0 358.530 2.185 20 30 FEEDRO Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)NCC[NH+]3CCCCC3)C2)n1 ZINC000363327258 555078897 /nfs/dbraw/zinc/07/88/97/555078897.db2.gz LWNUGZHMSFPKBM-GOSISDBHSA-N 1 0 355.486 2.080 20 30 FEEDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C1 ZINC000363350743 555083428 /nfs/dbraw/zinc/08/34/28/555083428.db2.gz CKTCMVILFMRHCD-ROUUACIJSA-N 1 0 370.501 2.094 20 30 FEEDRO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](n2cnc3ccccc32)C1 ZINC000363510335 555123888 /nfs/dbraw/zinc/12/38/88/555123888.db2.gz NKOVAQDZEBFIRV-HUUCEWRRSA-N 1 0 355.442 2.074 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N2CCCN(Cc3ccccc3F)CC2)CC1 ZINC000363625329 555149553 /nfs/dbraw/zinc/14/95/53/555149553.db2.gz AEYIMCUUULRNSW-UHFFFAOYSA-N 1 0 357.473 2.205 20 30 FEEDRO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000363709075 555168766 /nfs/dbraw/zinc/16/87/66/555168766.db2.gz LBLXYZHMPIKOBR-UYAOXDASSA-N 1 0 371.481 2.331 20 30 FEEDRO C[NH+]1CCC(N2CC[C@@H](NC(=O)C(C)(C)Oc3ccc(C#N)cc3)C2)CC1 ZINC000363764212 555181054 /nfs/dbraw/zinc/18/10/54/555181054.db2.gz USWJKQFLZQXDKH-QGZVFWFLSA-N 1 0 370.497 2.000 20 30 FEEDRO COC(=O)CNC(=O)CC[NH2+][C@H](C)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000363807753 555190586 /nfs/dbraw/zinc/19/05/86/555190586.db2.gz ZBMBQXUMUKAGKJ-GFCCVEGCSA-N 1 0 372.450 2.012 20 30 FEEDRO C=CCC(CC=C)C(=O)NCc1c(C)nn(C)c1N1CCC[N@H+](C)CC1 ZINC000363938593 555217808 /nfs/dbraw/zinc/21/78/08/555217808.db2.gz OWVPNPYHPIINFR-UHFFFAOYSA-N 1 0 359.518 2.255 20 30 FEEDRO COC(=O)c1cn([C@@H]2CCC[N@H+](CCCOc3cccc(C#N)c3)C2)nn1 ZINC000363999326 555230557 /nfs/dbraw/zinc/23/05/57/555230557.db2.gz JGDMWYNJSGEHAP-MRXNPFEDSA-N 1 0 369.425 2.042 20 30 FEEDRO Cc1ccc(C#N)cc1S(=O)(=O)N1C[C@H]([NH3+])[C@H](c2ccc(F)cc2)C1 ZINC000364186543 555265690 /nfs/dbraw/zinc/26/56/90/555265690.db2.gz XZZFGRMOSJLZED-IRXDYDNUSA-N 1 0 359.426 2.121 20 30 FEEDRO Cc1ccc(C#N)cc1S(=O)(=O)N1C[C@H]([NH3+])[C@@H](c2ccc(F)cc2)C1 ZINC000364186544 555265874 /nfs/dbraw/zinc/26/58/74/555265874.db2.gz XZZFGRMOSJLZED-SJORKVTESA-N 1 0 359.426 2.121 20 30 FEEDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N2CCCN(c3ncccc3C#N)CC2)C1 ZINC000364276774 555283324 /nfs/dbraw/zinc/28/33/24/555283324.db2.gz XRVHYEIXMRXIAA-ZWKOTPCHSA-N 1 0 370.501 2.048 20 30 FEEDRO CC(C)[NH+]1CCN(C2CCN(C(=O)c3cccc(F)c3C#N)CC2)CC1 ZINC000364476467 555320642 /nfs/dbraw/zinc/32/06/42/555320642.db2.gz DWGPAFFNUZCCAC-UHFFFAOYSA-N 1 0 358.461 2.328 20 30 FEEDRO CO/N=C/c1ccc(C(=O)N[C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@@H]2C)cc1 ZINC000364544618 555334084 /nfs/dbraw/zinc/33/40/84/555334084.db2.gz LHHYROFJVRJYSL-XOPIFYDTSA-N 1 0 359.470 2.286 20 30 FEEDRO C#CCNC(=O)[C@H](C)[NH+]1CCC(C(=O)N(Cc2ccccc2)C2CC2)CC1 ZINC000364664395 555367211 /nfs/dbraw/zinc/36/72/11/555367211.db2.gz ZMPHENCPXYPTGM-KRWDZBQOSA-N 1 0 367.493 2.028 20 30 FEEDRO C#CCN(C(=O)C[NH+](C)C)[C@@H]1CCOc2ccc(Br)cc21 ZINC000364865043 555418952 /nfs/dbraw/zinc/41/89/52/555418952.db2.gz RDEBCUGISRMDQE-CQSZACIVSA-N 1 0 351.244 2.296 20 30 FEEDRO C=CCNC(=O)NC(=O)C[NH2+][C@@H](c1ccc(Cl)cc1)[C@@H]1CCOC1 ZINC000364872776 555421782 /nfs/dbraw/zinc/42/17/82/555421782.db2.gz NNXVWFNOEFUXHL-CJNGLKHVSA-N 1 0 351.834 2.019 20 30 FEEDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)N[C@H]3CCCN(c4ccccc4C#N)C3)[C@@H]2C1 ZINC000364990310 555458305 /nfs/dbraw/zinc/45/83/05/555458305.db2.gz WLBRYUXFCPDENO-IMFGXOCKSA-N 1 0 367.497 2.263 20 30 FEEDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)N[C@@H]3CCCN(c4ccccc4C#N)C3)[C@@H]2C1 ZINC000364990313 555459258 /nfs/dbraw/zinc/45/92/58/555459258.db2.gz WLBRYUXFCPDENO-YVWKXTFCSA-N 1 0 367.497 2.263 20 30 FEEDRO N#Cc1ncn(CC[NH2+]Cc2ccc(OC(F)F)c(Br)c2)n1 ZINC000512898764 561919256 /nfs/dbraw/zinc/91/92/56/561919256.db2.gz JIBVUASAXKBKRA-UHFFFAOYSA-N 1 0 372.173 2.303 20 30 FEEDRO C=CCOc1ccc(C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)cc1OC ZINC000365337606 555547000 /nfs/dbraw/zinc/54/70/00/555547000.db2.gz CVLXNRZJXGHJSZ-GOSISDBHSA-N 1 0 373.497 2.112 20 30 FEEDRO COC(=O)c1ccccc1CC1CC[NH+](CCC(=O)N(C)CCC#N)CC1 ZINC000365811891 555672701 /nfs/dbraw/zinc/67/27/01/555672701.db2.gz GMEUYGGRVLVVDH-UHFFFAOYSA-N 1 0 371.481 2.490 20 30 FEEDRO Cc1ccc(N2CCC[C@@H](C(=O)N(CCC#N)CCC[NH+](C)C)C2)nc1 ZINC000366059824 555739547 /nfs/dbraw/zinc/73/95/47/555739547.db2.gz XCGATYKVBXXCCB-GOSISDBHSA-N 1 0 357.502 2.300 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCCC[C@@H]2CCS(C)(=O)=O)CC1 ZINC000366177765 555773505 /nfs/dbraw/zinc/77/35/05/555773505.db2.gz LASURTBANQQSLO-QGZVFWFLSA-N 1 0 371.547 2.026 20 30 FEEDRO C[NH+](C)C[C@H]1CCN(C(=O)N[C@H]2CCCN(c3ccccc3C#N)C2)C1 ZINC000366627598 555893966 /nfs/dbraw/zinc/89/39/66/555893966.db2.gz FLLPFRASVKKYBP-AEFFLSMTSA-N 1 0 355.486 2.120 20 30 FEEDRO C=CCN1CC[C@@H](N(C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1=O ZINC000366821075 555943788 /nfs/dbraw/zinc/94/37/88/555943788.db2.gz QEXDFGRBDFWSJQ-LJQANCHMSA-N 1 0 370.497 2.079 20 30 FEEDRO COc1cc(C[NH2+][C@@H]2CCN(c3ccccc3C(N)=O)C2)ccc1C#N ZINC000366918898 555969927 /nfs/dbraw/zinc/96/99/27/555969927.db2.gz ANQMCVFGHMFJIA-MRXNPFEDSA-N 1 0 350.422 2.034 20 30 FEEDRO C[N@@H+]1CCN(CCNC(=O)c2ccc(CC#N)cc2)[C@H](c2ccccc2)C1 ZINC000366953598 555981357 /nfs/dbraw/zinc/98/13/57/555981357.db2.gz GMDFFVVPXZEFIN-NRFANRHFSA-N 1 0 362.477 2.471 20 30 FEEDRO C#CC[C@]1(C(=O)NC2CC[NH+](CC)CC2)CCCN1C(=O)OC(C)(C)C ZINC000367326020 556018967 /nfs/dbraw/zinc/01/89/67/556018967.db2.gz HLEDAERNVSTAPR-HXUWFJFHSA-N 1 0 363.502 2.380 20 30 FEEDRO N#Cc1ccc(S(N)(=O)=O)cc1N1CCC[C@@H]([NH+]2CCCCCC2)C1 ZINC000367434871 556048162 /nfs/dbraw/zinc/04/81/62/556048162.db2.gz LCBPWXHHJNJXSN-MRXNPFEDSA-N 1 0 362.499 2.050 20 30 FEEDRO C[C@H]1CN(C(=O)/C=C/c2cccc(C#N)c2)CCN1C1CC[NH+](C)CC1 ZINC000367454275 556054250 /nfs/dbraw/zinc/05/42/50/556054250.db2.gz NZGHKQOCLPSXLN-LXXRFIIISA-N 1 0 352.482 2.198 20 30 FEEDRO N#Cc1ccc(-n2ccc(NC(=O)N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)n2)c(F)c1 ZINC000367804527 556143449 /nfs/dbraw/zinc/14/34/49/556143449.db2.gz UTRYOCPZXWVSRE-CABCVRRESA-N 1 0 368.416 2.631 20 30 FEEDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCN(c4ccc(C#N)cc4F)C3)C[C@H]21 ZINC000367843985 556152379 /nfs/dbraw/zinc/15/23/79/556152379.db2.gz RLQDHHXZUOPAMX-GPMSIDNRSA-N 1 0 356.445 2.076 20 30 FEEDRO C[NH+](C)C[C@H]1CN(S(=O)(=O)Cc2ccc(C#N)cc2)c2ccccc2O1 ZINC000367948776 556179822 /nfs/dbraw/zinc/17/98/22/556179822.db2.gz XCMOYUSPGIWCDV-KRWDZBQOSA-N 1 0 371.462 2.217 20 30 FEEDRO C=CCN(C(=O)C[C@H]1CCCC(=O)N1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000367953955 556181748 /nfs/dbraw/zinc/18/17/48/556181748.db2.gz YFNBQTCYQSPMFB-RTBURBONSA-N 1 0 355.482 2.334 20 30 FEEDRO N#Cc1c(F)ccc(C[NH2+][C@@H]2CCC(=O)N[C@H]2[C@H]2CCCO2)c1Cl ZINC000368082773 556213234 /nfs/dbraw/zinc/21/32/34/556213234.db2.gz ZOYLSXKUYBBGDH-CKEIUWERSA-N 1 0 351.809 2.267 20 30 FEEDRO C=CCN=c1[nH]cc(C(=O)NCC2CC[NH+](C3CCOCC3)CC2)s1 ZINC000622134570 556229100 /nfs/dbraw/zinc/22/91/00/556229100.db2.gz HOQQDSYYNSFCCY-UHFFFAOYSA-N 1 0 364.515 2.362 20 30 FEEDRO C[C@H]([NH2+][C@H]1CCC(=O)N[C@@H]1C1CC1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000368497437 556326674 /nfs/dbraw/zinc/32/66/74/556326674.db2.gz YPTBHHXTHZUSBZ-GLZQIGESSA-N 1 0 360.845 2.185 20 30 FEEDRO CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1CCC(=O)Nc1sccc1C#N ZINC000368664017 556378534 /nfs/dbraw/zinc/37/85/34/556378534.db2.gz SYGSGPSIMJEJCF-HZPDHXFCSA-N 1 0 360.483 2.424 20 30 FEEDRO CN1CC[NH+](CC2(C)CCN(C(=O)c3cccc(F)c3C#N)CC2)CC1 ZINC000368741565 556402639 /nfs/dbraw/zinc/40/26/39/556402639.db2.gz UTYNFFZZSRGNSE-UHFFFAOYSA-N 1 0 358.461 2.187 20 30 FEEDRO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)[C@@H]1CCCCNC1=O ZINC000368891370 556440514 /nfs/dbraw/zinc/44/05/14/556440514.db2.gz DBQGATORWVBOAG-OAHLLOKOSA-N 1 0 374.510 2.428 20 30 FEEDRO C=CCN(C(=O)N[C@H](C)c1nncn1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000368924142 556449767 /nfs/dbraw/zinc/44/97/67/556449767.db2.gz HWWFTGKTLBSHQQ-SJLPKXTDSA-N 1 0 368.485 2.348 20 30 FEEDRO N#Cc1cccc(CCNC(=O)NC2CC[NH+](Cc3ccccn3)CC2)c1 ZINC000369061912 556492847 /nfs/dbraw/zinc/49/28/47/556492847.db2.gz FKLHFFOENBISPH-UHFFFAOYSA-N 1 0 363.465 2.460 20 30 FEEDRO C[C@@H]1CCC[C@](CNC(=O)N2CCC(n3cnc(C#N)n3)CC2)([NH+](C)C)C1 ZINC000369093223 556503369 /nfs/dbraw/zinc/50/33/69/556503369.db2.gz UIZOLKMFEWBQRY-BEFAXECRSA-N 1 0 373.505 2.007 20 30 FEEDRO C=CCOc1ccccc1CNC(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000369392460 556588524 /nfs/dbraw/zinc/58/85/24/556588524.db2.gz AIEICOMPFPASPT-IBGZPJMESA-N 1 0 372.513 2.173 20 30 FEEDRO CN1CC[NH+](CC2(C)CCN(c3nc4c(cc3C#N)CCC4)CC2)CC1 ZINC000369393191 556589055 /nfs/dbraw/zinc/58/90/55/556589055.db2.gz WIXHOFBVQDBKNS-UHFFFAOYSA-N 1 0 353.514 2.296 20 30 FEEDRO C[N@@H+]1CC[C@H](CNC(=O)N2CCO[C@H](C#N)C2)[C@@H]1c1cccc(Cl)c1 ZINC000369403173 556592436 /nfs/dbraw/zinc/59/24/36/556592436.db2.gz UNMNSGRFKPLFNM-OIISXLGYSA-N 1 0 362.861 2.267 20 30 FEEDRO CCOc1ccc(C#N)cc1NC(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000369404430 556593013 /nfs/dbraw/zinc/59/30/13/556593013.db2.gz ZZQORCYDIGDHMQ-SJORKVTESA-N 1 0 358.442 2.020 20 30 FEEDRO CN1CCN(CC[NH2+]Cc2cnc3ccc(C#N)cn23)[C@H](c2ccccc2)C1 ZINC000369480653 556608549 /nfs/dbraw/zinc/60/85/49/556608549.db2.gz QZDGLDSSEYJYDA-NRFANRHFSA-N 1 0 374.492 2.284 20 30 FEEDRO C=CC[C@H](C)[C@H](C)[NH2+]C[C@H]1CCn2ncc(C(=O)N3CCN(C)CC3)c2C1 ZINC000369519192 556618563 /nfs/dbraw/zinc/61/85/63/556618563.db2.gz PIEOZYFNINHHQI-BZSNNMDCSA-N 1 0 373.545 2.023 20 30 FEEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(c2nc3c(cccc3F)[nH]2)CC1 ZINC000369544379 556627254 /nfs/dbraw/zinc/62/72/54/556627254.db2.gz UTXXIRJKKYDQAN-LBPRGKRZSA-N 1 0 373.432 2.282 20 30 FEEDRO N#Cc1ccsc1N1CC[C@H](N2CCC(Oc3cnccn3)CC2)C1=O ZINC000369696666 556671525 /nfs/dbraw/zinc/67/15/25/556671525.db2.gz YAHOCEQBZAJAQH-HNNXBMFYSA-N 1 0 369.450 2.058 20 30 FEEDRO CCOc1ccccc1NC(=O)CC[NH+]1CCC(n2cnc(C#N)n2)CC1 ZINC000369730785 556679733 /nfs/dbraw/zinc/67/97/33/556679733.db2.gz RIEYAOLKOBRMSA-UHFFFAOYSA-N 1 0 368.441 2.214 20 30 FEEDRO C=CC[C@@H](CC)NC(=O)N(C)C1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000369751119 556685345 /nfs/dbraw/zinc/68/53/45/556685345.db2.gz UBTYMSVMYAMGNX-MRXNPFEDSA-N 1 0 350.507 2.069 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)[C@@H]2CCC(=O)N2Cc2ccc(C)cc2)CC1 ZINC000369756201 556686177 /nfs/dbraw/zinc/68/61/77/556686177.db2.gz DKJOKEJSWSBEOJ-FQEVSTJZSA-N 1 0 367.493 2.090 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)C2CCN(C(=O)c3ccccc3)CC2)CC1 ZINC000369757869 556686731 /nfs/dbraw/zinc/68/67/31/556686731.db2.gz QABMLJFCMJXIKS-UHFFFAOYSA-N 1 0 367.493 2.143 20 30 FEEDRO C=CCN1CC[C@H](N(C)C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)C1=O ZINC000369855753 556713706 /nfs/dbraw/zinc/71/37/06/556713706.db2.gz JDNDOYBWEKIBBG-MOPGFXCFSA-N 1 0 370.497 2.079 20 30 FEEDRO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 ZINC000370001283 556754530 /nfs/dbraw/zinc/75/45/30/556754530.db2.gz ZTONEQLVWJELIP-ZFWWWQNUSA-N 1 0 368.416 2.583 20 30 FEEDRO N#Cc1ccc2ncc(CN3CCS(=O)(=O)C[C@H]3c3ccccc3)n2c1 ZINC000370232788 556818003 /nfs/dbraw/zinc/81/80/03/556818003.db2.gz YUVNNHIAWAQSEK-SFHVURJKSA-N 1 0 366.446 2.178 20 30 FEEDRO C=CCOc1ccc(C(=O)NC[C@@H]2CCC[C@@H]2[NH+]2CCOCC2)cc1OC ZINC000370760716 556960480 /nfs/dbraw/zinc/96/04/80/556960480.db2.gz SRTFYVSIZNCNLC-ROUUACIJSA-N 1 0 374.481 2.491 20 30 FEEDRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)N[C@@H](CCC#N)c3ccccc3)CC2)C1 ZINC000370879731 557000084 /nfs/dbraw/zinc/00/00/84/557000084.db2.gz XZXUPKSGCXJAOQ-PMACEKPBSA-N 1 0 369.513 2.453 20 30 FEEDRO C[NH+](C)CCn1ccc(C(=O)N[C@H](C#N)c2cccc(C(F)(F)F)c2)n1 ZINC000517038947 562072914 /nfs/dbraw/zinc/07/29/14/562072914.db2.gz SDPJIALAZBYNDP-OAHLLOKOSA-N 1 0 365.359 2.458 20 30 FEEDRO N#Cc1cccc([C@H]2CN(C(=O)NC[C@@H]3CC[N@@H+](C4CC4)C3)CCO2)c1 ZINC000371283713 557130649 /nfs/dbraw/zinc/13/06/49/557130649.db2.gz LOXDJHZWJQMIAM-QFBILLFUSA-N 1 0 354.454 2.125 20 30 FEEDRO CN(C)C(=O)CCN1CCC([NH2+]Cc2cccc(OCCCC#N)c2)CC1 ZINC000517559281 562092442 /nfs/dbraw/zinc/09/24/42/562092442.db2.gz UMNZYDPBCSAHMF-UHFFFAOYSA-N 1 0 372.513 2.401 20 30 FEEDRO CS(=O)(=O)[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCCN(c2ccccc2C#N)C1 ZINC000371552895 557219858 /nfs/dbraw/zinc/21/98/58/557219858.db2.gz KBSYUBDUARDFIO-YQVWRLOYSA-N 1 0 361.511 2.472 20 30 FEEDRO CC1(C[NH+]2CCOCC2)CCN(C(=O)Cc2cccc(OCC#N)c2)CC1 ZINC000371555833 557221495 /nfs/dbraw/zinc/22/14/95/557221495.db2.gz VMHUVVAHKFAGMO-UHFFFAOYSA-N 1 0 371.481 2.092 20 30 FEEDRO CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)c3ccc(C4(C#N)CC4)cc3)C2)CC1 ZINC000371558729 557222168 /nfs/dbraw/zinc/22/21/68/557222168.db2.gz BEHATCLKMLPFID-HXUWFJFHSA-N 1 0 366.509 2.482 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CC1 ZINC000517982141 562101975 /nfs/dbraw/zinc/10/19/75/562101975.db2.gz DNRCUXSJETYXGC-UHFFFAOYSA-N 1 0 361.398 2.136 20 30 FEEDRO C[N@H+](Cc1cnc2c(C#N)cnn2c1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000518187986 562106062 /nfs/dbraw/zinc/10/60/62/562106062.db2.gz SSOGAZGHLZXPQD-UHFFFAOYSA-N 1 0 374.448 2.338 20 30 FEEDRO C=CCn1c(CC2CCCC2)nnc1N1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000518442900 562111550 /nfs/dbraw/zinc/11/15/50/562111550.db2.gz BSCDIOSSDBISKV-LJQANCHMSA-N 1 0 372.561 2.413 20 30 FEEDRO COc1ccccc1N1CC[C@H](C)N(CC(=O)N[C@](C)(C#N)C2CC2)CC1 ZINC000372197987 557406815 /nfs/dbraw/zinc/40/68/15/557406815.db2.gz VDNOMRQOTASHJW-HRAATJIYSA-N 1 0 370.497 2.404 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)NC[C@@H](c2ccccc2OC)N(C)C)CC1 ZINC000519292816 562128739 /nfs/dbraw/zinc/12/87/39/562128739.db2.gz JCNAQJXFZHVFRX-SFHVURJKSA-N 1 0 360.502 2.248 20 30 FEEDRO C#CCN(Cc1ccc(F)cc1)C(=O)NC[C@@H]1CCC[C@H]1[NH+]1CCOCC1 ZINC000372563403 557505894 /nfs/dbraw/zinc/50/58/94/557505894.db2.gz KFEATKLVWIPOOD-AZUAARDMSA-N 1 0 373.472 2.471 20 30 FEEDRO C=CCN(C(=O)CSc1nncn1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000372603423 557518047 /nfs/dbraw/zinc/51/80/47/557518047.db2.gz ZEVKHPFNVOOGDG-KRWDZBQOSA-N 1 0 371.510 2.196 20 30 FEEDRO C=CCN(C(=O)CSc1nncn1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000372603424 557518453 /nfs/dbraw/zinc/51/84/53/557518453.db2.gz ZEVKHPFNVOOGDG-QGZVFWFLSA-N 1 0 371.510 2.196 20 30 FEEDRO Cc1nc(C)n(C[C@@H]2CCCN2Cc2nnc(-c3ccc(C#N)cc3)o2)n1 ZINC000372640583 557527312 /nfs/dbraw/zinc/52/73/12/557527312.db2.gz OXVQDTWTZKEEDB-KRWDZBQOSA-N 1 0 363.425 2.481 20 30 FEEDRO C#Cc1cccc(NC(=O)C(=O)N2CCC[C@@H]2Cn2ccnc2CC)c1 ZINC000372672462 557534066 /nfs/dbraw/zinc/53/40/66/557534066.db2.gz XYFJDCNQEIPAMS-QGZVFWFLSA-N 1 0 350.422 2.057 20 30 FEEDRO CN1C(=O)C[C@H]([NH2+]CC(=O)Nc2cccc(C#N)c2)[C@@H]1c1ccc(F)cc1 ZINC000372810833 557566577 /nfs/dbraw/zinc/56/65/77/557566577.db2.gz XDMVHQZIEGCQIX-PXNSSMCTSA-N 1 0 366.396 2.197 20 30 FEEDRO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CC[C@@]2(C1)CCCN(C)C2=O ZINC000372900037 557584588 /nfs/dbraw/zinc/58/45/88/557584588.db2.gz AWBUUSGSFHTRRK-KWLPKCRUSA-N 1 0 374.529 2.250 20 30 FEEDRO CC(C)(C#N)c1ccccc1CN1C(=O)N[C@@]2(CCCC[C@H]2C[NH3+])C1=O ZINC000519713734 562141187 /nfs/dbraw/zinc/14/11/87/562141187.db2.gz OBYOIRHNDBIMDV-MGPUTAFESA-N 1 0 354.454 2.427 20 30 FEEDRO C=CCNC(=O)CNC(=O)N1CCC[C@H]1[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000373185732 557646426 /nfs/dbraw/zinc/64/64/26/557646426.db2.gz LBHYPORCVPXYRZ-MOPGFXCFSA-N 1 0 370.497 2.127 20 30 FEEDRO C[N@H+]1CC=C(CNC(=O)NCC2CCN(c3ccccc3C#N)CC2)CC1 ZINC000373216149 557651759 /nfs/dbraw/zinc/65/17/59/557651759.db2.gz LWMDKRJIKSPXAF-UHFFFAOYSA-N 1 0 367.497 2.336 20 30 FEEDRO CC[NH+](CC)C[C@@H](C)NC(=O)N1CCN(c2cccc(F)c2C#N)CC1 ZINC000519974183 562148302 /nfs/dbraw/zinc/14/83/02/562148302.db2.gz IZYCRPVWFBXXNK-OAHLLOKOSA-N 1 0 361.465 2.259 20 30 FEEDRO O=C(C[N@H+]1CC[C@@](O)(C2CC2)C1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000373237917 557655758 /nfs/dbraw/zinc/65/57/58/557655758.db2.gz WCGWHDOKADNNBW-SFHVURJKSA-N 1 0 366.383 2.020 20 30 FEEDRO C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)NC1CCC(Oc2ncccc2C#N)CC1 ZINC000520204342 562150482 /nfs/dbraw/zinc/15/04/82/562150482.db2.gz ANVIPQQQQNMIBS-HOBHPSKFSA-N 1 0 357.458 2.035 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCN(CC(F)F)CC1)C(C)C ZINC000520283369 562152550 /nfs/dbraw/zinc/15/25/50/562152550.db2.gz DSAAQTQLNWTTEY-INIZCTEOSA-N 1 0 358.477 2.277 20 30 FEEDRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@H]1CCC(=O)N1Cc1cccc(C#N)c1 ZINC000373700197 557741274 /nfs/dbraw/zinc/74/12/74/557741274.db2.gz LSGCVXREKOXSAT-VQIMIIECSA-N 1 0 368.481 2.040 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)Nc2cccc(-n3cnc(N(C)C)n3)c2)CC1 ZINC000520561767 562159007 /nfs/dbraw/zinc/15/90/07/562159007.db2.gz CIEBXTGYVJFMGM-UHFFFAOYSA-N 1 0 369.473 2.105 20 30 FEEDRO Cc1n[nH]c(C)c1[C@@H]1COCCN1CCC(=O)Nc1sccc1C#N ZINC000374294029 557859627 /nfs/dbraw/zinc/85/96/27/557859627.db2.gz FACWLLHYVTXJNI-AWEZNQCLSA-N 1 0 359.455 2.362 20 30 FEEDRO C[NH+](C)Cc1ccc(C(=O)N2C[C@@H](C#N)[C@]3(C2)c2ccccc2NC3=O)cc1 ZINC000374332394 557867306 /nfs/dbraw/zinc/86/73/06/557867306.db2.gz RRUMUPNMYFRMRQ-VGOFRKELSA-N 1 0 374.444 2.234 20 30 FEEDRO C[C@@H](CC#N)N(C)S(=O)(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000374587957 557903074 /nfs/dbraw/zinc/90/30/74/557903074.db2.gz YKVTVWCOLWYRDP-GVDBMIGSSA-N 1 0 356.536 2.052 20 30 FEEDRO CCNC(=O)Nc1c[nH]nc1[C@@H]1CCC[N@H+](CCCSCC#N)C1 ZINC000374776526 557929683 /nfs/dbraw/zinc/92/96/83/557929683.db2.gz FUWAYYYEYYYCGL-CYBMUJFWSA-N 1 0 350.492 2.377 20 30 FEEDRO Cn1cc([C@@H]2[C@H](CNC(=O)N3CCC(C)(C#N)CC3)CCC[N@@H+]2C)cn1 ZINC000374804763 557934221 /nfs/dbraw/zinc/93/42/21/557934221.db2.gz DHARSUIESADFAI-RDJZCZTQSA-N 1 0 358.490 2.138 20 30 FEEDRO Cn1cc([C@@H]2[C@@H](CNC(=O)N3CCC(C)(C#N)CC3)CCC[N@@H+]2C)cn1 ZINC000374804764 557934308 /nfs/dbraw/zinc/93/43/08/557934308.db2.gz DHARSUIESADFAI-WBVHZDCISA-N 1 0 358.490 2.138 20 30 FEEDRO CN1CCN(C2CCN(c3ccc(C(F)(F)F)cc3C#N)CC2)C(=O)C1 ZINC000374847212 557940143 /nfs/dbraw/zinc/94/01/43/557940143.db2.gz QZNAWBUYIVNBHG-UHFFFAOYSA-N 1 0 366.387 2.320 20 30 FEEDRO C[C@@H](OC[C@H]1CCCO1)C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000374896898 557947547 /nfs/dbraw/zinc/94/75/47/557947547.db2.gz PBTBTTAVWAAPOE-IEBWSBKVSA-N 1 0 371.481 2.245 20 30 FEEDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)CCCC(=O)Nc3ccccc3C#N)C[C@H]21 ZINC000375018185 557964790 /nfs/dbraw/zinc/96/47/90/557964790.db2.gz IULDCJLKDGWDPJ-CRAIPNDOSA-N 1 0 354.454 2.220 20 30 FEEDRO Cc1ncccc1O[C@H]1CC[N@H+](C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000375457484 558030736 /nfs/dbraw/zinc/03/07/36/558030736.db2.gz JZJYHYUUPQCYNB-MJGOQNOKSA-N 1 0 353.422 2.155 20 30 FEEDRO N#Cc1ccc(NC(=O)CC[NH2+][C@@H]2CCCC[C@H]2N2CCOCC2)cc1 ZINC000375467127 558032588 /nfs/dbraw/zinc/03/25/88/558032588.db2.gz AZSOVLIIEPSEQL-RTBURBONSA-N 1 0 356.470 2.120 20 30 FEEDRO C[C@H](CC#N)N(C)S(=O)(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000375699260 558069433 /nfs/dbraw/zinc/06/94/33/558069433.db2.gz XHDABAAGTMOHIU-MRXNPFEDSA-N 1 0 356.536 2.053 20 30 FEEDRO N#C[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCN(S(=O)(=O)c3cccs3)C2)C1 ZINC000375836948 558087311 /nfs/dbraw/zinc/08/73/11/558087311.db2.gz FCWIOFWETDWJKB-KFWWJZLASA-N 1 0 353.513 2.431 20 30 FEEDRO N#C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCN(S(=O)(=O)c3cccs3)C2)C1 ZINC000375836946 558087372 /nfs/dbraw/zinc/08/73/72/558087372.db2.gz FCWIOFWETDWJKB-ILXRZTDVSA-N 1 0 353.513 2.431 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)Cc2csc(NC(=O)c3ccco3)n2)CC1 ZINC000521570267 562178957 /nfs/dbraw/zinc/17/89/57/562178957.db2.gz ACFQOYPJKOTPMY-UHFFFAOYSA-N 1 0 374.466 2.298 20 30 FEEDRO CC[NH2+]Cc1cccc(NC(=O)N2CCN(c3cnccc3C#N)CC2)c1 ZINC000521585610 562179401 /nfs/dbraw/zinc/17/94/01/562179401.db2.gz RKJQVWJADYOGKC-UHFFFAOYSA-N 1 0 364.453 2.417 20 30 FEEDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000376571594 558192347 /nfs/dbraw/zinc/19/23/47/558192347.db2.gz BWSWIEHUAZTECJ-YOEHRIQHSA-N 1 0 365.441 2.229 20 30 FEEDRO COc1cc(C[NH2+]C[C@@H]2C[C@@H](O)CN2Cc2ccccc2)ccc1C#N ZINC000376609331 558197270 /nfs/dbraw/zinc/19/72/70/558197270.db2.gz IVHVGBLGHGYQJY-VQTJNVASSA-N 1 0 351.450 2.292 20 30 FEEDRO C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000377471981 558346084 /nfs/dbraw/zinc/34/60/84/558346084.db2.gz MJWYPLWQFIGZTM-QGZVFWFLSA-N 1 0 371.481 2.286 20 30 FEEDRO CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1[C@@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000377562397 558364920 /nfs/dbraw/zinc/36/49/20/558364920.db2.gz DWHGZDYAMRCSCZ-CGTJXYLNSA-N 1 0 360.502 2.193 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)CN1c2ccsc2CCCC1=O ZINC000377574544 558368899 /nfs/dbraw/zinc/36/88/99/558368899.db2.gz WOEGFPBGJCOFEM-UHFFFAOYSA-N 1 0 362.499 2.111 20 30 FEEDRO Cc1nn(C)c(N2CCC[N@H+](C)CC2)c1CNc1cccc(F)c1C#N ZINC000377618695 558378130 /nfs/dbraw/zinc/37/81/30/558378130.db2.gz BBNHKSSBUJGAOW-UHFFFAOYSA-N 1 0 356.449 2.493 20 30 FEEDRO CCCC(=O)NC[C@H]1CCC[N@@H+]([C@@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000522418466 562198179 /nfs/dbraw/zinc/19/81/79/562198179.db2.gz UHQDETFBBAUWJZ-DLBZAZTESA-N 1 0 362.518 2.346 20 30 FEEDRO CN(C(=O)CCc1ccc(C#N)cc1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000377641561 558384461 /nfs/dbraw/zinc/38/44/61/558384461.db2.gz OEWYNWOLCFPGJX-HXUWFJFHSA-N 1 0 354.498 2.118 20 30 FEEDRO CCN(CCC#N)C(=O)CN1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000377766673 558415642 /nfs/dbraw/zinc/41/56/42/558415642.db2.gz LEKQGMLWXYUITK-VQTJNVASSA-N 1 0 354.498 2.202 20 30 FEEDRO N#Cc1cc(Cl)ccc1S(=O)(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000377844183 558433734 /nfs/dbraw/zinc/43/37/34/558433734.db2.gz KIWVYJWUUCBWPH-NUEKZKHPSA-N 1 0 365.886 2.316 20 30 FEEDRO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000378299969 558523290 /nfs/dbraw/zinc/52/32/90/558523290.db2.gz UFBZZSMHISXWCY-UXHICEINSA-N 1 0 371.481 2.251 20 30 FEEDRO C[C@]1(C2CC[NH+](Cc3cccc(OCCCC#N)c3)CC2)NC(=O)NC1=O ZINC000378339107 558533082 /nfs/dbraw/zinc/53/30/82/558533082.db2.gz DOKSMDZYHRZOIL-HXUWFJFHSA-N 1 0 370.453 2.179 20 30 FEEDRO C=CCN(CC=C)C(=O)C[NH+]1CCC2(C[C@H]2C(=O)N2CCCCC2)CC1 ZINC000378412504 558550692 /nfs/dbraw/zinc/55/06/92/558550692.db2.gz QVNMHUUZYWGHSR-SFHVURJKSA-N 1 0 359.514 2.302 20 30 FEEDRO Cn1cc([C@@H]([NH2+]C[C@H](O)COc2ccc(C#N)cc2)c2ccccc2)cn1 ZINC000378650031 558600878 /nfs/dbraw/zinc/60/08/78/558600878.db2.gz WIQWROVWQPYDAN-FPOVZHCZSA-N 1 0 362.433 2.411 20 30 FEEDRO Cc1ncc(S(=O)(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)cc1C#N ZINC000379455376 558601741 /nfs/dbraw/zinc/60/17/41/558601741.db2.gz MXHIICXLQJXTPQ-SFHVURJKSA-N 1 0 370.478 2.205 20 30 FEEDRO CC1CC(C#N)(C(=O)N2CCO[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000404191796 558631185 /nfs/dbraw/zinc/63/11/85/558631185.db2.gz NRTRXGYHQNUTBW-KXEIRXBSSA-N 1 0 353.466 2.428 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@@H](C(=O)N3CCCC3)C2)CC1 ZINC000408137666 558650817 /nfs/dbraw/zinc/65/08/17/558650817.db2.gz GWUPDQSVCBJZSM-QGZVFWFLSA-N 1 0 362.518 2.071 20 30 FEEDRO C[C@@H](C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C)n1cnc(C#N)n1 ZINC000409461921 558694316 /nfs/dbraw/zinc/69/43/16/558694316.db2.gz AYDBPKVIEWNZEU-HOTGVXAUSA-N 1 0 366.469 2.402 20 30 FEEDRO CCN(CCC#N)S(=O)(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000409496831 558697580 /nfs/dbraw/zinc/69/75/80/558697580.db2.gz YUXWOCCBAMGZET-WMZOPIPTSA-N 1 0 364.515 2.109 20 30 FEEDRO CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NS(=O)(=O)N(C)C[C@H](C)C#N ZINC000409507840 558698798 /nfs/dbraw/zinc/69/87/98/558698798.db2.gz BJCNSUXJONHWML-AEFFLSMTSA-N 1 0 366.531 2.069 20 30 FEEDRO CCN(CCC#N)S(=O)(=O)N[C@@H](C[N@H+](C)Cc1ccccc1)C(C)C ZINC000409509288 558699056 /nfs/dbraw/zinc/69/90/56/558699056.db2.gz IWJLGHWJVVRWFV-SFHVURJKSA-N 1 0 366.531 2.213 20 30 FEEDRO CCN(C[C@@H](C)C#N)S(=O)(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000409529496 558700547 /nfs/dbraw/zinc/70/05/47/558700547.db2.gz PFASXFWIARAFGD-LSDHHAIUSA-N 1 0 370.544 2.201 20 30 FEEDRO CCN(C[C@H](C)C#N)S(=O)(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000409550459 558702588 /nfs/dbraw/zinc/70/25/88/558702588.db2.gz FMJSUMVZEZUBRA-MRXNPFEDSA-N 1 0 364.515 2.098 20 30 FEEDRO CCN(C[C@H](C)C#N)S(=O)(=O)NCc1ccc(C[NH+](CC)CC)cc1 ZINC000409555717 558703017 /nfs/dbraw/zinc/70/30/17/558703017.db2.gz MELQYEYVVJAWPH-MRXNPFEDSA-N 1 0 366.531 2.344 20 30 FEEDRO COCCNC(=O)c1c[nH]nc1[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC000410365695 558753152 /nfs/dbraw/zinc/75/31/52/558753152.db2.gz KHJIZGFMGYDNFA-KRWDZBQOSA-N 1 0 367.453 2.037 20 30 FEEDRO C=CC[N@@H+](CCOC[C@@H]1CCCO1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000525487016 562249354 /nfs/dbraw/zinc/24/93/54/562249354.db2.gz QZYCKIYTPUZHTQ-LPHOPBHVSA-N 1 0 357.458 2.407 20 30 FEEDRO C[NH+]1CCC(C#N)(NC(=O)c2ccc(CNC(=O)C(C)(C)C)cc2)CC1 ZINC000525576454 562250446 /nfs/dbraw/zinc/25/04/46/562250446.db2.gz DTQMKOYCQZUFRS-UHFFFAOYSA-N 1 0 356.470 2.067 20 30 FEEDRO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CC[C@@](C(N)=O)(c2ccccc2)C1 ZINC000411965631 558996435 /nfs/dbraw/zinc/99/64/35/558996435.db2.gz ARADXCICWYUQLN-IBGZPJMESA-N 1 0 350.378 2.095 20 30 FEEDRO C=CC[C@H](C(=O)N[C@H](C)C(=O)NCC[NH+]1CCCCC1)c1ccccc1 ZINC000412325935 559028073 /nfs/dbraw/zinc/02/80/73/559028073.db2.gz ZDVZHKVFQVICII-MJGOQNOKSA-N 1 0 357.498 2.453 20 30 FEEDRO Cc1cc(C(=O)NCC2(O)CC[NH+](Cc3ccccc3)CC2)ncc1C#N ZINC000412773864 559055490 /nfs/dbraw/zinc/05/54/90/559055490.db2.gz NVXMJHCSABBRNF-UHFFFAOYSA-N 1 0 364.449 2.019 20 30 FEEDRO C=CC[C@H](Cc1ccccc1)NC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000413298793 559096919 /nfs/dbraw/zinc/09/69/19/559096919.db2.gz SWLNEXVCHNNSFH-RTBURBONSA-N 1 0 372.513 2.060 20 30 FEEDRO C=CCCCN(C)C(=O)NCc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000413828899 559133369 /nfs/dbraw/zinc/13/33/69/559133369.db2.gz AWSFFCXRKCARDU-UHFFFAOYSA-N 1 0 372.513 2.492 20 30 FEEDRO C=CCOc1cccc(NC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)c1 ZINC000415012972 559200607 /nfs/dbraw/zinc/20/06/07/559200607.db2.gz KDGQTSJCFYCJNN-HNNXBMFYSA-N 1 0 372.391 2.209 20 30 FEEDRO C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000415117907 559206267 /nfs/dbraw/zinc/20/62/67/559206267.db2.gz CPEDYBSVDYCZDZ-CABZTGNLSA-N 1 0 354.357 2.394 20 30 FEEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)NCCCN1CC[NH2+]CC1 ZINC000415171776 559211741 /nfs/dbraw/zinc/21/17/41/559211741.db2.gz YLSFTWLPNWISSB-HNNXBMFYSA-N 1 0 361.515 2.355 20 30 FEEDRO CC(C)[C@H]1CCc2c(C#N)c(NC(=O)C(=O)N(C)[C@@H](C)C[NH3+])sc2C1 ZINC000415419993 559233564 /nfs/dbraw/zinc/23/35/64/559233564.db2.gz RTQFJAOYSKBHNA-RYUDHWBXSA-N 1 0 362.499 2.125 20 30 FEEDRO O=C(Nc1ccccc1C#Cc1ccccc1)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000415475970 559241491 /nfs/dbraw/zinc/24/14/91/559241491.db2.gz AYIRNTCMWBDSQG-UXHICEINSA-N 1 0 373.456 2.378 20 30 FEEDRO C=CCOc1cccc(NC(=O)C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)c1 ZINC000415531999 559247162 /nfs/dbraw/zinc/24/71/62/559247162.db2.gz ZBSYTFARPKRCMA-GOSISDBHSA-N 1 0 357.454 2.181 20 30 FEEDRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N ZINC000415565026 559250292 /nfs/dbraw/zinc/25/02/92/559250292.db2.gz QOBBRYOPELGCLH-PBHICJAKSA-N 1 0 369.469 2.389 20 30 FEEDRO N#CCCSc1ccccc1NC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000415579264 559251939 /nfs/dbraw/zinc/25/19/39/559251939.db2.gz JZPHTLCUOOXPMC-RRFJBIMHSA-N 1 0 372.494 2.217 20 30 FEEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000415647795 559258039 /nfs/dbraw/zinc/25/80/39/559258039.db2.gz OFRJOBQOBDXDHL-MCIONIFRSA-N 1 0 360.483 2.405 20 30 FEEDRO N#Cc1ccc(NC(=O)C(=O)N2CCC[C@H](CC[NH3+])C2)cc1C(F)(F)F ZINC000415676630 559260803 /nfs/dbraw/zinc/26/08/03/559260803.db2.gz LEDUSUXHUWKHRU-LLVKDONJSA-N 1 0 368.359 2.103 20 30 FEEDRO C=C(C)COc1cccc(NC(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)c1 ZINC000415676518 559260883 /nfs/dbraw/zinc/26/08/83/559260883.db2.gz MSGAQRXBFNOOKM-KRWDZBQOSA-N 1 0 359.470 2.474 20 30 FEEDRO [NH3+]C[C@H]1CC[C@@H](NC(=O)C(=O)Nc2cccc(C#Cc3ccccc3)c2)C1 ZINC000415835852 559276650 /nfs/dbraw/zinc/27/66/50/559276650.db2.gz PEMSUBMFYZRYET-AZUAARDMSA-N 1 0 361.445 2.269 20 30 FEEDRO [NH3+]C[C@@H]1CC[C@H](NC(=O)C(=O)Nc2cccc(C#Cc3ccccc3)c2)C1 ZINC000415835854 559276878 /nfs/dbraw/zinc/27/68/78/559276878.db2.gz PEMSUBMFYZRYET-QUCCMNQESA-N 1 0 361.445 2.269 20 30 FEEDRO Cc1cccc(NC(=O)C(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)c1C#N ZINC000415863660 559279671 /nfs/dbraw/zinc/27/96/71/559279671.db2.gz VDRQNUMOAOHQRL-UHFFFAOYSA-N 1 0 366.465 2.075 20 30 FEEDRO O=C(Nc1cccc(C#Cc2ccccc2)c1)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000415865928 559279836 /nfs/dbraw/zinc/27/98/36/559279836.db2.gz JGYPDFBHLCTINO-VQTJNVASSA-N 1 0 373.456 2.093 20 30 FEEDRO CC(C)[N@H+](C)C[C@H](C)NS(=O)(=O)c1cc(Br)ccc1C#N ZINC000416481157 559316275 /nfs/dbraw/zinc/31/62/75/559316275.db2.gz BGDOPPDATHXHKW-NSHDSACASA-N 1 0 374.304 2.328 20 30 FEEDRO O=C(NCC#Cc1cccc(C(F)(F)F)c1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000416942160 559339596 /nfs/dbraw/zinc/33/95/96/559339596.db2.gz JAMJRCKDJFVEMF-LSDHHAIUSA-N 1 0 351.372 2.308 20 30 FEEDRO N#Cc1ccc(N2CCC[C@@H](NC(=O)N3CCC[C@@H](CC[NH3+])C3)C2)c(F)c1 ZINC000417580955 559367534 /nfs/dbraw/zinc/36/75/34/559367534.db2.gz RWVDHKJNDDTXQZ-DOTOQJQBSA-N 1 0 373.476 2.437 20 30 FEEDRO C=C(C)[C@@H](NC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1)c1ccc(F)c(F)c1 ZINC000418025990 559387051 /nfs/dbraw/zinc/38/70/51/559387051.db2.gz GPNORZBFOGIZMG-MAUKXSAKSA-N 1 0 364.440 2.271 20 30 FEEDRO N#Cc1ccccc1N1CCN(C(=O)N[C@H](C[NH3+])C2CCCCC2)CC1 ZINC000418368444 559399320 /nfs/dbraw/zinc/39/93/20/559399320.db2.gz RZHCXFMNZRAGEP-GOSISDBHSA-N 1 0 355.486 2.297 20 30 FEEDRO N#Cc1cccc(NC(=O)C2CCN(C(=O)N[C@@H]3CCC[C@H]([NH3+])C3)CC2)c1 ZINC000418570638 559406694 /nfs/dbraw/zinc/40/66/94/559406694.db2.gz DBHZJNNHEKCCAI-FUHWJXTLSA-N 1 0 369.469 2.188 20 30 FEEDRO C=CCOCCN(C1CC1)S(=O)(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418930182 559422344 /nfs/dbraw/zinc/42/23/44/559422344.db2.gz DHXPFRRIAULHSW-LJQANCHMSA-N 1 0 364.511 2.258 20 30 FEEDRO C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000419064081 559426857 /nfs/dbraw/zinc/42/68/57/559426857.db2.gz XGJAYIXYOJFABE-RBUKOAKNSA-N 1 0 357.498 2.314 20 30 FEEDRO CC[C@@](C[NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1)(C(=O)OC)c1ccccc1 ZINC000419357465 559439355 /nfs/dbraw/zinc/43/93/55/559439355.db2.gz PFNHJBWHRGFFHT-NQIIRXRSSA-N 1 0 365.433 2.195 20 30 FEEDRO CC(C)(O)C[NH+]1CCN(C(=O)N[C@@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000419656767 559452192 /nfs/dbraw/zinc/45/21/92/559452192.db2.gz ZPGRNPXGHDNOTP-GOSISDBHSA-N 1 0 356.470 2.034 20 30 FEEDRO CC[NH+](CC)CCOc1ccc(NC(=O)C(=O)NCC2(C#N)CCC2)cc1 ZINC000419817829 559461007 /nfs/dbraw/zinc/46/10/07/559461007.db2.gz MZLJEXNJUANJHW-UHFFFAOYSA-N 1 0 372.469 2.156 20 30 FEEDRO C=CCC[C@H]1NC(=O)N([C@H](C)C[NH+]2CCN(c3ccccc3)CC2)C1=O ZINC000419974240 559467202 /nfs/dbraw/zinc/46/72/02/559467202.db2.gz JGRJTAAYPRPTEE-SJLPKXTDSA-N 1 0 356.470 2.084 20 30 FEEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000420199461 559476336 /nfs/dbraw/zinc/47/63/36/559476336.db2.gz MHTPFKGUWWYWDL-VXGBXAGGSA-N 1 0 355.891 2.160 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)NCCC[C@H]2CCC[NH2+]2)cc1C(F)(F)F ZINC000420438322 559487374 /nfs/dbraw/zinc/48/73/74/559487374.db2.gz DTKDDRQSMUCGGS-GFCCVEGCSA-N 1 0 361.389 2.388 20 30 FEEDRO C[C@@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)C[C@@]1(C)C[NH3+] ZINC000420464464 559488943 /nfs/dbraw/zinc/48/89/43/559488943.db2.gz UIMYRIQKVBGESD-QMTHXVAHSA-N 1 0 361.389 2.182 20 30 FEEDRO Cc1cc(-c2nc(-c3cccc(N4CC[NH+](C)CC4)n3)no2)ncc1C#N ZINC000420492490 559489925 /nfs/dbraw/zinc/48/99/25/559489925.db2.gz RATBABHKMLCERV-UHFFFAOYSA-N 1 0 361.409 2.126 20 30 FEEDRO CCOC(=O)c1c(NC(=O)NCC[N@H+](CC)C(C)C)c(C#N)cn1CC ZINC000421170743 559528528 /nfs/dbraw/zinc/52/85/28/559528528.db2.gz FEKWIEOYPCZHDZ-UHFFFAOYSA-N 1 0 363.462 2.408 20 30 FEEDRO C[NH+](C)C1CCC(NC(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000421288081 559535927 /nfs/dbraw/zinc/53/59/27/559535927.db2.gz KPAGCVMJIXPHGQ-UHFFFAOYSA-N 1 0 356.470 2.415 20 30 FEEDRO COc1cc(C[NH2+]Cc2ccc(C#N)s2)cc(Cl)c1OCC(N)=O ZINC000421348214 559539817 /nfs/dbraw/zinc/53/98/17/559539817.db2.gz GVHPZNRBQJAFFM-UHFFFAOYSA-N 1 0 365.842 2.436 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2ccc(C(=O)OC)s2)CC1 ZINC000422166759 559568953 /nfs/dbraw/zinc/56/89/53/559568953.db2.gz QNTRSFUZGNLVQA-UHFFFAOYSA-N 1 0 351.472 2.374 20 30 FEEDRO CCOCC[N@@H+]1CCN(C(=O)NCc2ccc(C#N)s2)C[C@H]1CC ZINC000422219643 559572107 /nfs/dbraw/zinc/57/21/07/559572107.db2.gz OVKJUTVSECXEKI-CQSZACIVSA-N 1 0 350.488 2.262 20 30 FEEDRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)C(=O)NCC(C)(C)CC#N)CC1 ZINC000422299240 559576650 /nfs/dbraw/zinc/57/66/50/559576650.db2.gz LZTKSBBIRLYBMJ-INIZCTEOSA-N 1 0 370.497 2.384 20 30 FEEDRO C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000422325310 559578954 /nfs/dbraw/zinc/57/89/54/559578954.db2.gz YQWIMXJRALSGTG-QYZOEREBSA-N 1 0 357.498 2.279 20 30 FEEDRO CN(C(=O)C(=O)NCC(C)(C)CC#N)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000422489271 559591406 /nfs/dbraw/zinc/59/14/06/559591406.db2.gz PAIQYWBVUBELCU-GOSISDBHSA-N 1 0 370.497 2.165 20 30 FEEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000423022923 559615405 /nfs/dbraw/zinc/61/54/05/559615405.db2.gz IQOXKWIFGSFIPE-VXGBXAGGSA-N 1 0 355.891 2.112 20 30 FEEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CCC[C@H](C[NH2+]C)C1 ZINC000423026574 559615568 /nfs/dbraw/zinc/61/55/68/559615568.db2.gz QHKOLDHKFNUFST-CYBMUJFWSA-N 1 0 369.918 2.374 20 30 FEEDRO N#CCCC[C@H]([NH3+])C(=O)N1CCCC[C@@H]1CNC(=O)Nc1ccccc1 ZINC000424099657 559654763 /nfs/dbraw/zinc/65/47/63/559654763.db2.gz VPDDFYGNTAMABS-SJORKVTESA-N 1 0 357.458 2.210 20 30 FEEDRO CCC(CC)NC(=O)[C@@H]1CN(C(=O)[C@@H]([NH3+])CCCC#N)c2ccccc2O1 ZINC000424117410 559655343 /nfs/dbraw/zinc/65/53/43/559655343.db2.gz YNZYLNNLMYZYSU-YJBOKZPZSA-N 1 0 372.469 2.107 20 30 FEEDRO COC(=O)[C@H](CNC(=O)[C@@H]([NH3+])CCCC#N)Cc1ccc2ccccc2c1 ZINC000424121939 559655560 /nfs/dbraw/zinc/65/55/60/559655560.db2.gz IQLRWRQEXUPHQR-OALUTQOASA-N 1 0 367.449 2.309 20 30 FEEDRO N#CCCC[C@@H]([NH3+])C(=O)Nc1ccc2nc(N3CCOCC3)sc2c1 ZINC000424141931 559655875 /nfs/dbraw/zinc/65/58/75/559655875.db2.gz UMLOQNUFLZIUPU-CYBMUJFWSA-N 1 0 359.455 2.093 20 30 FEEDRO C[C@@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000424333482 559661513 /nfs/dbraw/zinc/66/15/13/559661513.db2.gz UIXAIXUFIXCDLY-HLLBOEOZSA-N 1 0 363.483 2.050 20 30 FEEDRO Cc1cc(C[NH3+])cc(NC(=O)N2CCN(c3cccc(C#N)n3)CC2)c1 ZINC000424428032 559664240 /nfs/dbraw/zinc/66/42/40/559664240.db2.gz RKPKGJBSCRAPSI-UHFFFAOYSA-N 1 0 350.426 2.075 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)NCc1ccc(CN2CC[NH+](CC)CC2)cc1 ZINC000424495206 559667541 /nfs/dbraw/zinc/66/75/41/559667541.db2.gz PTBUSIPBTHYBSE-RTWAWAEBSA-N 1 0 371.525 2.422 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@H]1CC[N@@H+](CCCOCC)C[C@@H]1C ZINC000425456420 559702998 /nfs/dbraw/zinc/70/29/98/559702998.db2.gz WODLNNHKTJQRAQ-XSLAGTTESA-N 1 0 353.507 2.014 20 30 FEEDRO C=CCn1cc(CNC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)nn1 ZINC000425470319 559704024 /nfs/dbraw/zinc/70/40/24/559704024.db2.gz FMOKRGADDOINJG-APWZRJJASA-N 1 0 368.485 2.174 20 30 FEEDRO C[C@@H](c1cccc(C#N)c1)[N@H+](C)C[C@@H](O)CN1C(=O)c2ccccc2C1=O ZINC000425541327 559708807 /nfs/dbraw/zinc/70/88/07/559708807.db2.gz WPCFLWNXUCLTQZ-WMLDXEAASA-N 1 0 363.417 2.208 20 30 FEEDRO C=CCn1cc(CNC(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)nn1 ZINC000425562394 559709934 /nfs/dbraw/zinc/70/99/34/559709934.db2.gz FZVOCEKJUXUTEV-GOSISDBHSA-N 1 0 354.458 2.100 20 30 FEEDRO C=CCn1cc(CNC(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)nn1 ZINC000425676441 559714403 /nfs/dbraw/zinc/71/44/03/559714403.db2.gz SFOJXCGPBHHEOK-OAHLLOKOSA-N 1 0 356.474 2.393 20 30 FEEDRO CCCC[NH+]1CCC(NC(=O)C(=O)N(C)[C@@H](C)c2cccc(C#N)c2)CC1 ZINC000425889659 559724111 /nfs/dbraw/zinc/72/41/11/559724111.db2.gz VFGGECFLSGMQOV-INIZCTEOSA-N 1 0 370.497 2.458 20 30 FEEDRO C=CCc1ccc(OC[C@H](O)C[NH+]2CCC(O)(C(F)F)CC2)c(OC)c1 ZINC000426265011 559731917 /nfs/dbraw/zinc/73/19/17/559731917.db2.gz SIAIWWMKLDKYPX-OAHLLOKOSA-N 1 0 371.424 2.255 20 30 FEEDRO CS(=O)(=O)N(Cc1cn2c(n1)CCCC2)Cc1cccc(F)c1C#N ZINC000427552079 559757791 /nfs/dbraw/zinc/75/77/91/559757791.db2.gz FQRFHORZYXNHOW-UHFFFAOYSA-N 1 0 362.430 2.192 20 30 FEEDRO Cc1ncc(S(=O)(=O)N2C[C@@H]3CCC[N@@H+]3Cc3ccccc32)cc1C#N ZINC000427789476 559762546 /nfs/dbraw/zinc/76/25/46/559762546.db2.gz OBESYCHBEJDQJQ-KRWDZBQOSA-N 1 0 368.462 2.435 20 30 FEEDRO CC[NH+](CC)C[C@H]1CCCC[C@@H]1NS(=O)(=O)c1cccnc1C#N ZINC000428371291 559774038 /nfs/dbraw/zinc/77/40/38/559774038.db2.gz VOOWVJSBHLUPIZ-CABCVRRESA-N 1 0 350.488 2.132 20 30 FEEDRO C=CC[N@@H+](C)CCN(CC)CC(=O)N1CCN(c2cccc(C)c2)CC1 ZINC000429703164 559804207 /nfs/dbraw/zinc/80/42/07/559804207.db2.gz QGMSVOPGBYEQQS-UHFFFAOYSA-N 1 0 358.530 2.083 20 30 FEEDRO C[N@H+](CCN1CCN(C(=O)NCC2(CC#N)CC2)CC1)Cc1ccccc1 ZINC000431194724 559835662 /nfs/dbraw/zinc/83/56/62/559835662.db2.gz UUSXQGOOSSWJPE-UHFFFAOYSA-N 1 0 369.513 2.139 20 30 FEEDRO N#Cc1c(NCC(=O)NCC[NH+]2CCCCCC2)nc2cc(Cl)ccn21 ZINC000431488179 559840197 /nfs/dbraw/zinc/84/01/97/559840197.db2.gz CXDKICMHFHIXAB-UHFFFAOYSA-N 1 0 374.876 2.263 20 30 FEEDRO CCCC[N@H+](C)CCNS(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000432998557 559869661 /nfs/dbraw/zinc/86/96/61/559869661.db2.gz IWKVKDGHFSPODK-UHFFFAOYSA-N 1 0 374.304 2.331 20 30 FEEDRO CC[N@H+](CCNS(=O)(=O)c1ccc(C#N)c(Br)c1)C1CC1 ZINC000433085531 559871628 /nfs/dbraw/zinc/87/16/28/559871628.db2.gz VADMHOIXXFFXBZ-UHFFFAOYSA-N 1 0 372.288 2.083 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)S(=O)(=O)c1ccc(C#N)s1 ZINC000435436943 559923052 /nfs/dbraw/zinc/92/30/52/559923052.db2.gz HNUGCIFYKNYIMV-UHFFFAOYSA-N 1 0 374.491 2.244 20 30 FEEDRO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000435742422 559929220 /nfs/dbraw/zinc/92/92/20/559929220.db2.gz UYGLVWQXSDOFAV-RDTXWAMCSA-N 1 0 364.398 2.217 20 30 FEEDRO CCN(C[C@H](C)C#N)C(=O)C(=O)Nc1cccc(CC[N@H+](C)C2CC2)c1 ZINC000437418421 559964495 /nfs/dbraw/zinc/96/44/95/559964495.db2.gz KUIOKCGJCSBZLI-OAHLLOKOSA-N 1 0 356.470 2.270 20 30 FEEDRO CC[C@H](CNC(=O)N=c1ccn(CCC#N)[nH]1)[N@@H+]1CCc2ccccc2C1 ZINC000438334627 559977561 /nfs/dbraw/zinc/97/75/61/559977561.db2.gz YVGDDYKGWLKWTA-GOSISDBHSA-N 1 0 366.469 2.755 20 30 FEEDRO CN(C(=O)C(=O)Nc1ccccc1SCCC#N)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000439595474 559997755 /nfs/dbraw/zinc/99/77/55/559997755.db2.gz LZHUWJXECKBHTK-OAHLLOKOSA-N 1 0 372.494 2.326 20 30 FEEDRO CO[C@H]1C[C@@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)C1(C)C ZINC000440342481 560009003 /nfs/dbraw/zinc/00/90/03/560009003.db2.gz RLKVVFUWHMEFSZ-MSOLQXFVSA-N 1 0 358.486 2.445 20 30 FEEDRO COc1cccc(N2C[C@@H]([NH2+]Cc3ccc(C#N)c(OC)c3)CC2=O)c1 ZINC000440826748 560019095 /nfs/dbraw/zinc/01/90/95/560019095.db2.gz VYVGRMOMBXERCX-INIZCTEOSA-N 1 0 351.406 2.471 20 30 FEEDRO C[C@H](NC(=O)C(=O)Nc1ccc(C#N)cc1F)[C@H](c1ccccc1)[NH+](C)C ZINC000441716528 560038172 /nfs/dbraw/zinc/03/81/72/560038172.db2.gz ODCLPTKALARGCF-SCLBCKFNSA-N 1 0 368.412 2.443 20 30 FEEDRO CCOC(=O)C1CCN(C(=O)C[C@H](C)[NH2+]CC2CCC(C#N)CC2)CC1 ZINC000442869728 560060035 /nfs/dbraw/zinc/06/00/35/560060035.db2.gz SSHZIPGOQQFAOB-GTPINHCMSA-N 1 0 363.502 2.486 20 30 FEEDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNS(=O)(=O)c1ccc(F)cc1C#N ZINC000443392459 560082875 /nfs/dbraw/zinc/08/28/75/560082875.db2.gz XWPGUANLCWYEAM-MRXNPFEDSA-N 1 0 353.463 2.486 20 30 FEEDRO CC(C)(Oc1ccc(C#N)cc1)C(=O)N1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC000443867960 560095051 /nfs/dbraw/zinc/09/50/51/560095051.db2.gz MEGGGKDTQHOSRM-LJQANCHMSA-N 1 0 371.481 2.429 20 30 FEEDRO COc1ccc(C#N)cc1NC(=O)C(=O)Nc1ccc(C[NH+](C)C)cc1 ZINC000446662810 560149354 /nfs/dbraw/zinc/14/93/54/560149354.db2.gz XKCMQYDFDCOVNO-UHFFFAOYSA-N 1 0 352.394 2.206 20 30 FEEDRO Cc1cc(N(CCC#N)C(=O)C[NH2+][C@H](CO)[C@H]2CCCO2)ccc1Cl ZINC000447911302 560172708 /nfs/dbraw/zinc/17/27/08/560172708.db2.gz ZNOUBGYGDKMMKS-IAGOWNOFSA-N 1 0 365.861 2.025 20 30 FEEDRO C[NH+](C)[C@@H]1CCN(c2ccc(NC(=O)CNc3ccc(C#N)cc3)nc2)C1 ZINC000448445124 560187414 /nfs/dbraw/zinc/18/74/14/560187414.db2.gz GBLYFFMLPHWKGH-GOSISDBHSA-N 1 0 364.453 2.144 20 30 FEEDRO Cn1c(C#N)ccc1C(=O)NCCC[N@@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000448677214 560193673 /nfs/dbraw/zinc/19/36/73/560193673.db2.gz LJHNWVKOMHKDEI-HXUWFJFHSA-N 1 0 365.481 2.005 20 30 FEEDRO C[C@H]1C[NH+](Cc2ccc(CNC(=O)c3ccc(C#N)n3C)cc2)C[C@H](C)O1 ZINC000448685582 560194222 /nfs/dbraw/zinc/19/42/22/560194222.db2.gz ACAPMARMXKSKQO-HOTGVXAUSA-N 1 0 366.465 2.436 20 30 FEEDRO CC(=O)N1CCC[N@H+](C[C@@H]2CCCN(Cc3ccc(C#N)s3)C2)CC1 ZINC000449498391 560231888 /nfs/dbraw/zinc/23/18/88/560231888.db2.gz LGFMTCZRQHTHMT-KRWDZBQOSA-N 1 0 360.527 2.386 20 30 FEEDRO C[C@H](Oc1ccccn1)C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000449809572 560240829 /nfs/dbraw/zinc/24/08/29/560240829.db2.gz HMYCXAIBMZMQFA-INIZCTEOSA-N 1 0 352.438 2.311 20 30 FEEDRO CC(C)N(CC[NH+](C)C)C(=O)COc1ccc(C#N)c(Br)c1 ZINC000450198867 560253623 /nfs/dbraw/zinc/25/36/23/560253623.db2.gz TUAGBJNSSSACHG-UHFFFAOYSA-N 1 0 368.275 2.498 20 30 FEEDRO Cc1[nH]c(C#N)cc1C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000451176441 560291398 /nfs/dbraw/zinc/29/13/98/560291398.db2.gz DUAAKWLBEYOZGZ-GOSISDBHSA-N 1 0 352.438 2.216 20 30 FEEDRO C=CCCS(=O)(=O)NC1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1 ZINC000451870552 560333635 /nfs/dbraw/zinc/33/36/35/560333635.db2.gz IIIZWZDCVMNKTP-UHFFFAOYSA-N 1 0 365.499 2.105 20 30 FEEDRO C=CCn1c([C@@H](C)OCCOC)nnc1N(C)[C@H]1CC[N@@H+](C(C)C)C1 ZINC000453455662 560387139 /nfs/dbraw/zinc/38/71/39/560387139.db2.gz XQBSLVJNYYCZHC-CVEARBPZSA-N 1 0 351.495 2.107 20 30 FEEDRO Cc1cc(C#N)cc(NC(=O)C(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)c1 ZINC000453573330 560389208 /nfs/dbraw/zinc/38/92/08/560389208.db2.gz IKNZZVYGJJJDCV-IBGZPJMESA-N 1 0 364.449 2.094 20 30 FEEDRO Cc1cc(C#N)cc(NC(=O)C(=O)NCc2ccc(C[NH+](C)C)cc2)c1 ZINC000453580588 560389583 /nfs/dbraw/zinc/38/95/83/560389583.db2.gz JVTSNWGZJZNLBL-UHFFFAOYSA-N 1 0 350.422 2.183 20 30 FEEDRO CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2sc(C(C)(C)C)cc2C#N)C1 ZINC000453599914 560390588 /nfs/dbraw/zinc/39/05/88/560390588.db2.gz DDTJHCXOYJMEJV-CYBMUJFWSA-N 1 0 362.499 2.456 20 30 FEEDRO Cc1cc(C#N)cc(NC(=O)C(=O)NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)c1 ZINC000453602378 560390652 /nfs/dbraw/zinc/39/06/52/560390652.db2.gz JRBOKMQGJHKSTO-VLIAUNLRSA-N 1 0 356.470 2.432 20 30 FEEDRO Cc1cc(C#N)cc(NC(=O)C(=O)NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)c1 ZINC000453602376 560390745 /nfs/dbraw/zinc/39/07/45/560390745.db2.gz JRBOKMQGJHKSTO-JLTOFOAXSA-N 1 0 356.470 2.432 20 30 FEEDRO Cc1cc(C#N)cc(NC(=O)C(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)c1 ZINC000453613395 560391118 /nfs/dbraw/zinc/39/11/18/560391118.db2.gz UOYVENDXZQTQGX-SFHVURJKSA-N 1 0 356.470 2.432 20 30 FEEDRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)Nc1ccc(CC#N)cc1Cl ZINC000453622024 560391579 /nfs/dbraw/zinc/39/15/79/560391579.db2.gz APDQJUYBXPQJGT-LBPRGKRZSA-N 1 0 350.850 2.191 20 30 FEEDRO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1)C1CC1 ZINC000453640919 560392733 /nfs/dbraw/zinc/39/27/33/560392733.db2.gz HKGGWBIKWFZPQP-MRXNPFEDSA-N 1 0 372.469 2.130 20 30 FEEDRO N#CCc1ccc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)c(Cl)c1 ZINC000453645602 560393028 /nfs/dbraw/zinc/39/30/28/560393028.db2.gz SVXJBWNETZRXCR-OAHLLOKOSA-N 1 0 374.872 2.431 20 30 FEEDRO CC(C)C(=O)c1ccc(NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C)cc1 ZINC000453702961 560398054 /nfs/dbraw/zinc/39/80/54/560398054.db2.gz AUQWLAVMDGHOPP-UHFFFAOYSA-N 1 0 372.469 2.158 20 30 FEEDRO CN(C(=O)C(=O)Nc1ccc(CC#N)cc1Cl)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000453715138 560399210 /nfs/dbraw/zinc/39/92/10/560399210.db2.gz RLSUMCYBEVINJZ-CQSZACIVSA-N 1 0 360.845 2.040 20 30 FEEDRO C=C(C)CCNC(=O)C(=O)Nc1cccc(N2CC[NH+](C(C)C)CC2)c1 ZINC000453878648 560410218 /nfs/dbraw/zinc/41/02/18/560410218.db2.gz OBODRRQGQKBDEO-UHFFFAOYSA-N 1 0 358.486 2.238 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1NC(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000455416233 560481393 /nfs/dbraw/zinc/48/13/93/560481393.db2.gz QXSQMRNLTIPOND-QYZOEREBSA-N 1 0 359.470 2.475 20 30 FEEDRO C=C(CC)CNC(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000455518396 560485481 /nfs/dbraw/zinc/48/54/81/560485481.db2.gz GLUCZPOGFZMSHH-SFHVURJKSA-N 1 0 358.486 2.149 20 30 FEEDRO C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1ccnn1CC[NH+](C)C ZINC000455642540 560490355 /nfs/dbraw/zinc/49/03/55/560490355.db2.gz BXVQKNAOXHPVPG-UHFFFAOYSA-N 1 0 361.446 2.140 20 30 FEEDRO Cc1cc(C(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)ncc1C#N ZINC000457564409 560574970 /nfs/dbraw/zinc/57/49/70/560574970.db2.gz CFGIVUMICMRLDR-UHFFFAOYSA-N 1 0 364.449 2.148 20 30 FEEDRO C=C(C)[C@H]1OCCC[C@H]1C(=O)N(CCC)CCN1CC[NH+](CC)CC1 ZINC000457824716 560589537 /nfs/dbraw/zinc/58/95/37/560589537.db2.gz ZYNCAXAFPQDYQQ-RTBURBONSA-N 1 0 351.535 2.234 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N2C[C@H](c3ccccc3)[C@@](F)(CO)C2)CC1 ZINC000458331021 560615461 /nfs/dbraw/zinc/61/54/61/560615461.db2.gz HKJGYTPCNVKMCS-QUCCMNQESA-N 1 0 361.461 2.146 20 30 FEEDRO C=CC(C)(C)CNC(=O)N1CCC(C(=O)NCCC[NH+](CC)CC)CC1 ZINC000458994314 560660843 /nfs/dbraw/zinc/66/08/43/560660843.db2.gz YXTOPMMGICGBLB-UHFFFAOYSA-N 1 0 366.550 2.468 20 30 FEEDRO C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459641994 560699536 /nfs/dbraw/zinc/69/95/36/560699536.db2.gz MSCBDWQTWNSNIZ-UONOGXRCSA-N 1 0 361.408 2.428 20 30 FEEDRO C=CCc1ccc(OC[C@@H](O)C[NH2+]C2(CO)CCSCC2)c(OC)c1 ZINC000459704774 560703101 /nfs/dbraw/zinc/70/31/01/560703101.db2.gz GFXBWJVROKOBJT-INIZCTEOSA-N 1 0 367.511 2.011 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000459870863 560715350 /nfs/dbraw/zinc/71/53/50/560715350.db2.gz RKIZBFQPELBEFQ-NVXWUHKLSA-N 1 0 361.511 2.205 20 30 FEEDRO CCN(C(=O)C(=O)N(C)C[C@H](C)C#N)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000460053996 560731970 /nfs/dbraw/zinc/73/19/70/560731970.db2.gz MXAUTOMCQABTHN-AOIWGVFYSA-N 1 0 370.497 2.288 20 30 FEEDRO CC1=CC[N@H+](CCNC(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)CC1 ZINC000460231895 560738574 /nfs/dbraw/zinc/73/85/74/560738574.db2.gz OIBMZBUGRKYRMF-HXUWFJFHSA-N 1 0 367.497 2.058 20 30 FEEDRO N#C[C@H]1CCC[C@@H]1NC(=O)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000461767810 560782364 /nfs/dbraw/zinc/78/23/64/560782364.db2.gz BRYJNYGHNNMZFQ-AEFFLSMTSA-N 1 0 354.454 2.072 20 30 FEEDRO CC[NH+](CC)CCOc1ccccc1NC(=O)C(=O)N[C@@H]1CCC[C@@H]1C#N ZINC000461781042 560783177 /nfs/dbraw/zinc/78/31/77/560783177.db2.gz ZOHKRFAOXTVIJR-HZPDHXFCSA-N 1 0 372.469 2.154 20 30 FEEDRO Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)[C@H](C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000461852233 560785414 /nfs/dbraw/zinc/78/54/14/560785414.db2.gz JSVNYFFJQBNLQU-ZNMIVQPWSA-N 1 0 352.442 2.647 20 30 FEEDRO COC(=O)C1CC[NH+](CCCNC(=O)[C@@H](C)c2cccc(C#N)c2)CC1 ZINC000461903715 560787193 /nfs/dbraw/zinc/78/71/93/560787193.db2.gz QBZJRXXITRJXJG-HNNXBMFYSA-N 1 0 357.454 2.053 20 30 FEEDRO N#C[C@H]1CCC[C@H]1NC(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000461950520 560789351 /nfs/dbraw/zinc/78/93/51/560789351.db2.gz AKOPRJVFDJFZAK-IEBWSBKVSA-N 1 0 355.486 2.190 20 30 FEEDRO COc1cc(C#N)ccc1S(=O)(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000463696978 560821635 /nfs/dbraw/zinc/82/16/35/560821635.db2.gz PLUYHTLUCAEXLM-KRWDZBQOSA-N 1 0 373.478 2.018 20 30 FEEDRO CCC[NH+](CCC)CCCNS(=O)(=O)c1ccc(C#N)cc1OC ZINC000464417096 560841130 /nfs/dbraw/zinc/84/11/30/560841130.db2.gz MDQLLCFLFNIXJZ-UHFFFAOYSA-N 1 0 353.488 2.357 20 30 FEEDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2c(F)cc(C#N)cc2F)C[C@@H]1C ZINC000467155406 560905193 /nfs/dbraw/zinc/90/51/93/560905193.db2.gz OIGPZRUKMXWBAX-WCQYABFASA-N 1 0 357.426 2.330 20 30 FEEDRO C=CCOc1cc(OC)ccc1C(=O)N1C[C@@H](SC)[C@H]([NH+](C)C)C1 ZINC000468013235 560921176 /nfs/dbraw/zinc/92/11/76/560921176.db2.gz DIVMJQVBDZAOMJ-NVXWUHKLSA-N 1 0 350.484 2.378 20 30 FEEDRO COc1cc([C@H](C)[NH2+][C@@H](C)C(=O)NC2(C#N)CCC2)cc(OC)c1OC ZINC000469303627 560952060 /nfs/dbraw/zinc/95/20/60/560952060.db2.gz HISIQUQFMRULBT-STQMWFEESA-N 1 0 361.442 2.314 20 30 FEEDRO CCOCCC[N@@H+]1CC[C@H](N[C@H](C)C(=O)N[C@](C)(C#N)C(C)C)[C@H](C)C1 ZINC000469769204 560964206 /nfs/dbraw/zinc/96/42/06/560964206.db2.gz NSPROWLZRREBCG-FTEYMNFISA-N 1 0 366.550 2.156 20 30 FEEDRO CC[NH+](CC)CCCCNC(=O)[C@@H]1CCC(=O)N1Cc1cccc(C#N)c1 ZINC000473620264 561054176 /nfs/dbraw/zinc/05/41/76/561054176.db2.gz OHPBKZLUOZFLJF-IBGZPJMESA-N 1 0 370.497 2.287 20 30 FEEDRO CC[N@@H+]1CCC[C@@H](CN(C)C(=O)c2ccnc(C#N)c2)[C@@H]1c1cnn(C)c1 ZINC000476012406 561109278 /nfs/dbraw/zinc/10/92/78/561109278.db2.gz OUTAGDQPSAAVNZ-QFBILLFUSA-N 1 0 366.469 2.232 20 30 FEEDRO N#Cc1ccccc1OC[C@H](O)C[NH+]1CCC(O)(c2ccccc2)CC1 ZINC000528449955 562330035 /nfs/dbraw/zinc/33/00/35/562330035.db2.gz JUBYQMJRRGCKCI-LJQANCHMSA-N 1 0 352.434 2.282 20 30 FEEDRO N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000528454152 562330197 /nfs/dbraw/zinc/33/01/97/562330197.db2.gz YCEDCTMVCRDLJK-GHTZIAJQSA-N 1 0 350.418 2.429 20 30 FEEDRO N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@@H](Oc2ncccc2F)C1 ZINC000528480956 562331533 /nfs/dbraw/zinc/33/15/33/562331533.db2.gz NBFOMHMTORLUHD-DLBZAZTESA-N 1 0 371.412 2.375 20 30 FEEDRO CO[C@H](Cc1ccc(F)cc1)C[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000528507930 562333012 /nfs/dbraw/zinc/33/30/12/562333012.db2.gz QWVPKZMXNAVVCV-LJQANCHMSA-N 1 0 354.429 2.472 20 30 FEEDRO N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H]2CC3(CC[C@@H]21)OCCO3 ZINC000528516693 562333670 /nfs/dbraw/zinc/33/36/70/562333670.db2.gz FPSJPTXILVZPGI-QRQLOZEOSA-N 1 0 372.465 2.306 20 30 FEEDRO O=C1c2ccccc2C(=O)N1CC#CC[N@H+]1CCCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000528522151 562333797 /nfs/dbraw/zinc/33/37/97/562333797.db2.gz SKENUGUFBQOYRL-XUVXKRRUSA-N 1 0 366.461 2.302 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H]2[C@H]3Cc4c(cccc4Cl)[C@@H]23)nc1 ZINC000530241625 562403794 /nfs/dbraw/zinc/40/37/94/562403794.db2.gz GFCYCSVMKPFNFM-BMGDILEWSA-N 1 0 373.865 2.308 20 30 FEEDRO C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc(C#N)cc1F)C1CCCCC1 ZINC000530438391 562411236 /nfs/dbraw/zinc/41/12/36/562411236.db2.gz GDZCTUNSLFXQFK-INIZCTEOSA-N 1 0 353.463 2.486 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(F)c1 ZINC000530532990 562414942 /nfs/dbraw/zinc/41/49/42/562414942.db2.gz TYWPTKBCQBSDLT-KRWDZBQOSA-N 1 0 373.453 2.498 20 30 FEEDRO N#Cc1cccc(CC(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000530909618 562428275 /nfs/dbraw/zinc/42/82/75/562428275.db2.gz IMXBMHROWPSKEY-UHFFFAOYSA-N 1 0 362.477 2.429 20 30 FEEDRO C=CCN(C(=O)NC1CC[NH+](C)CC1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000531244206 562439352 /nfs/dbraw/zinc/43/93/52/562439352.db2.gz GRCFIUNNOIZVMV-HNNXBMFYSA-N 1 0 369.473 2.015 20 30 FEEDRO CN1CCN(C(=O)c2ccc(C[NH2+]Cc3cc(C#N)cs3)cc2)CC1 ZINC000531356407 562443043 /nfs/dbraw/zinc/44/30/43/562443043.db2.gz JHQHRAWKNDIGQQ-UHFFFAOYSA-N 1 0 354.479 2.297 20 30 FEEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000531628232 562452081 /nfs/dbraw/zinc/45/20/81/562452081.db2.gz JMSVQNQASNKMKD-UHFFFAOYSA-N 1 0 353.382 2.065 20 30 FEEDRO C=CCN1CC[C@@H](N(C)[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C1=O ZINC000532204652 562470490 /nfs/dbraw/zinc/47/04/90/562470490.db2.gz XRXICWVUHQLXCF-SWLSCSKDSA-N 1 0 372.494 2.154 20 30 FEEDRO N#Cc1ccc(C[NH2+]CCCN2C(=O)NC3(CCCCC3)C2=O)c(F)c1 ZINC000533449194 562509048 /nfs/dbraw/zinc/50/90/48/562509048.db2.gz BFERSTZDYCJEDF-UHFFFAOYSA-N 1 0 358.417 2.432 20 30 FEEDRO CC(C)C[C@H](NC(=O)N[C@H](C)c1ccc(C#N)cc1)C(=O)NCC[NH+](C)C ZINC000533985028 562523008 /nfs/dbraw/zinc/52/30/08/562523008.db2.gz JQIQSZGUUXUMOC-QAPCUYQASA-N 1 0 373.501 2.011 20 30 FEEDRO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000533991023 562523126 /nfs/dbraw/zinc/52/31/26/562523126.db2.gz BQXJQHMVCSXFSU-HXUWFJFHSA-N 1 0 373.497 2.267 20 30 FEEDRO C=C(C)[C@H](CC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO)OCC ZINC000534185282 562527048 /nfs/dbraw/zinc/52/70/48/562527048.db2.gz LDUVQCRPYMSITJ-AQNXPRMDSA-N 1 0 360.498 2.357 20 30 FEEDRO N#Cc1cccc(CC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2CO)c1 ZINC000535635234 562563003 /nfs/dbraw/zinc/56/30/03/562563003.db2.gz KHWCWOHMRFZKBG-LEWJYISDSA-N 1 0 363.461 2.100 20 30 FEEDRO CC[N@H+](CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1)C1CCC1 ZINC000537255810 562588823 /nfs/dbraw/zinc/58/88/23/562588823.db2.gz VYSIXRACKOXWRM-LJQANCHMSA-N 1 0 358.461 2.409 20 30 FEEDRO C=CCOc1ccccc1C[NH2+][C@@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC000540686559 562591306 /nfs/dbraw/zinc/59/13/06/562591306.db2.gz PVYVSXVXMOYYGC-AEFFLSMTSA-N 1 0 351.468 2.077 20 30 FEEDRO CCN(CC)C(=O)CCC1CC[NH+](CC(=O)N(CC)C[C@@H](C)C#N)CC1 ZINC000541090873 562602773 /nfs/dbraw/zinc/60/27/73/562602773.db2.gz YAZIYUJDKCWENZ-KRWDZBQOSA-N 1 0 364.534 2.355 20 30 FEEDRO N#CCC1CC[NH+](CC(=O)N2CCC(C(=O)N3CCCCCC3)CC2)CC1 ZINC000541954088 562624292 /nfs/dbraw/zinc/62/42/92/562624292.db2.gz DFKOZOPMHNPYLA-UHFFFAOYSA-N 1 0 374.529 2.253 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N1CCSC[C@H](C)C1)C(C)C ZINC000556206498 674392136 /nfs/dbraw/zinc/39/21/36/674392136.db2.gz LBWBMJUTSGGSOM-SJORKVTESA-N 1 0 367.559 2.013 20 30 FEEDRO C[NH+](C)CCn1c2cc(C(=O)N3CCC[C@](C)(C#N)C3)ccc2[nH]c1=O ZINC000602135981 567934224 /nfs/dbraw/zinc/93/42/24/567934224.db2.gz OAEGELLXCCHKEC-LJQANCHMSA-N 1 0 355.442 2.069 20 30 FEEDRO COc1cccc(C2(NC(=O)[C@H]([NH3+])CCCCC#N)CCOCC2)c1F ZINC000602605135 567997055 /nfs/dbraw/zinc/99/70/55/567997055.db2.gz UWDLBYVLNPICGY-OAHLLOKOSA-N 1 0 363.433 2.367 20 30 FEEDRO COCCOCCOc1ccc(C[NH+]2C[C@H](C)N(CC#N)[C@@H](C)C2)cc1 ZINC000602855089 568002198 /nfs/dbraw/zinc/00/21/98/568002198.db2.gz RRRMZPPIBNBZAR-ROUUACIJSA-N 1 0 361.486 2.147 20 30 FEEDRO COc1ccc([C@H](CNC(=O)CN[C@H](C)CC#N)[NH+]2CCCCC2)cc1 ZINC000602864619 568007962 /nfs/dbraw/zinc/00/79/62/568007962.db2.gz TVRDVJFVZFNBAR-APWZRJJASA-N 1 0 358.486 2.230 20 30 FEEDRO C[N@@H+]1CCCN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)CC1 ZINC000609471654 568010981 /nfs/dbraw/zinc/01/09/81/568010981.db2.gz OWSRQHIYZLJJOR-INIZCTEOSA-N 1 0 359.449 2.013 20 30 FEEDRO N#CC1(CNCc2ccc(S(N)(=O)=O)c(Br)c2)CCCC1 ZINC000602700867 568017259 /nfs/dbraw/zinc/01/72/59/568017259.db2.gz XBZZNCBIQJEOOP-UHFFFAOYSA-N 1 0 372.288 2.270 20 30 FEEDRO Cc1nsc(N2CCN(C(=O)Nc3ccc(C[NH3+])cc3)CC2)c1C#N ZINC000568370620 568034588 /nfs/dbraw/zinc/03/45/88/568034588.db2.gz XMCVPTBXORGVST-UHFFFAOYSA-N 1 0 356.455 2.136 20 30 FEEDRO C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602860881 568049492 /nfs/dbraw/zinc/04/94/92/568049492.db2.gz JQIUSWYBZWLIAD-KSZLIROESA-N 1 0 353.470 2.240 20 30 FEEDRO N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)n1 ZINC000568734516 568150473 /nfs/dbraw/zinc/15/04/73/568150473.db2.gz BMRSHWMTQCQIOK-OAHLLOKOSA-N 1 0 370.844 2.756 20 30 FEEDRO C[NH+]1CCC(C#N)(NC(=O)c2ccc(Cl)c(N3CCCC3=O)c2)CC1 ZINC000603885027 568176881 /nfs/dbraw/zinc/17/68/81/568176881.db2.gz VLSVXVFNGAWRNJ-UHFFFAOYSA-N 1 0 360.845 2.185 20 30 FEEDRO CC[N@@H+]1CC[C@H]2OCCN(Cc3ccc(C#N)cc3OC(F)F)[C@H]2C1 ZINC000569024013 568275092 /nfs/dbraw/zinc/27/50/92/568275092.db2.gz DFRLLOCGKORNJE-JKSUJKDBSA-N 1 0 351.397 2.455 20 30 FEEDRO N#Cc1cccc(CCNC(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)c1 ZINC000569146852 568293472 /nfs/dbraw/zinc/29/34/72/568293472.db2.gz KXOKTZPWORQTAY-PMACEKPBSA-N 1 0 370.497 2.168 20 30 FEEDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNCCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000569421715 568401791 /nfs/dbraw/zinc/40/17/91/568401791.db2.gz XHNNLJKHJRLSNJ-IAGOWNOFSA-N 1 0 363.527 2.290 20 30 FEEDRO CN1CC[NH+](C[C@H](O)CNc2cccc(Oc3ccc(C#N)cc3)c2)CC1 ZINC000569475461 568401798 /nfs/dbraw/zinc/40/17/98/568401798.db2.gz HNRVRTORDSKNGZ-LJQANCHMSA-N 1 0 366.465 2.371 20 30 FEEDRO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000569485559 568403266 /nfs/dbraw/zinc/40/32/66/568403266.db2.gz KTQZYPZXSLATLH-LSDHHAIUSA-N 1 0 364.449 2.083 20 30 FEEDRO COC(=O)c1cccc(C[NH2+][C@H]2CCCC[C@H]2N2CCOCC2)c1C#N ZINC000569777932 568423936 /nfs/dbraw/zinc/42/39/36/568423936.db2.gz UTCJXOXTAPSYRG-RBUKOAKNSA-N 1 0 357.454 2.078 20 30 FEEDRO C[C@@H]([NH2+][C@@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O)c1ccc(C#N)cc1 ZINC000736132420 598959343 /nfs/dbraw/zinc/95/93/43/598959343.db2.gz NTXDUDUKDDLQHL-FZKQIMNGSA-N 1 0 373.420 2.194 20 30 FEEDRO COC(=O)c1cccc(CN2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)c1C#N ZINC000556829117 674423140 /nfs/dbraw/zinc/42/31/40/674423140.db2.gz XFXGNGCEIXEXRX-IUODEOHRSA-N 1 0 356.344 2.338 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)Nc2cnc3c(Br)cccn23)CC1 ZINC000808212176 674447139 /nfs/dbraw/zinc/44/71/39/674447139.db2.gz ZOPIKWXOMZQHBU-UHFFFAOYSA-N 1 0 361.243 2.381 20 30 FEEDRO C[C@H]([NH2+][C@@H]1CCN(c2ccc(C#N)cc2)C1=O)c1cccc(-c2nn[nH]n2)c1 ZINC000820420657 599388721 /nfs/dbraw/zinc/38/87/21/599388721.db2.gz VDWHZHGALUQFKW-SCLBCKFNSA-N 1 0 373.420 2.194 20 30 FEEDRO C[C@@H]([NH2+]CCC(=O)Nc1ccc(-c2nn[nH]n2)cc1)c1ccc(C#N)cc1 ZINC000824585096 608463957 /nfs/dbraw/zinc/46/39/57/608463957.db2.gz NLQGMNFQMTXNMP-CYBMUJFWSA-N 1 0 361.409 2.418 20 30 FEEDRO N#CCc1ccc(C[NH+]2CCN(c3ccccc3-c3nn[nH]n3)CC2)cc1 ZINC000826382854 609519325 /nfs/dbraw/zinc/51/93/25/609519325.db2.gz XVAYXNQSCDOBQJ-UHFFFAOYSA-N 1 0 359.437 2.255 20 30 FEEDRO C#CCOc1ccccc1CNC(=O)NCC1(SC)CC[NH+](C)CC1 ZINC000811880926 674635405 /nfs/dbraw/zinc/63/54/05/674635405.db2.gz QWSBAVAGVJSKPR-UHFFFAOYSA-N 1 0 361.511 2.325 20 30 FEEDRO N#CC1(NC(=O)C[NH2+][C@@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)CCC1 ZINC000561347814 674658748 /nfs/dbraw/zinc/65/87/48/674658748.db2.gz JNXJZKYYJJPGRB-GDBMZVCRSA-N 1 0 351.809 2.461 20 30 FEEDRO N#Cc1csc(CNc2cccc(C[NH+]3CCC(C(N)=O)CC3)c2)n1 ZINC000562079234 674721366 /nfs/dbraw/zinc/72/13/66/674721366.db2.gz IKLHYEUXVNFHDI-UHFFFAOYSA-N 1 0 355.467 2.324 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CC[C@H](C(=O)OC(C)(C)C)O2)CC1 ZINC000562126360 674723287 /nfs/dbraw/zinc/72/32/87/674723287.db2.gz ZUONBIVRBGCJSW-JKSUJKDBSA-N 1 0 352.475 2.032 20 30 FEEDRO COc1ccc(NC(=S)NN=C2CC[NH+](CC(C)(C)O)CC2)cc1F ZINC000814221326 674827160 /nfs/dbraw/zinc/82/71/60/674827160.db2.gz WZYLEJRZDIZNQH-UHFFFAOYSA-N 1 0 368.478 2.343 20 30 FEEDRO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CC[C@H](c2nnc[nH]2)C1 ZINC000563022175 674836005 /nfs/dbraw/zinc/83/60/05/674836005.db2.gz PGDMTQDXUBHQBW-QWRGUYRKSA-N 1 0 356.455 2.043 20 30 FEEDRO C#CC[N@H+](C)CCCNS(=O)(=O)c1ccc2nc(Cl)c(C)cc2c1 ZINC000815082221 674913919 /nfs/dbraw/zinc/91/39/19/674913919.db2.gz GGEDXNRFDNZCKD-UHFFFAOYSA-N 1 0 365.886 2.430 20 30 FEEDRO C#CC[N@H+](C)CCCNS(=O)(=O)c1c(C)cc(Br)cc1C ZINC000815082868 674913929 /nfs/dbraw/zinc/91/39/29/674913929.db2.gz HYJAQBOMZVYINC-UHFFFAOYSA-N 1 0 373.316 2.299 20 30 FEEDRO C#CCNC(=O)CC[NH2+][C@@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 ZINC000815118347 674921432 /nfs/dbraw/zinc/92/14/32/674921432.db2.gz ZQDVGWIIQDVKPM-QGZVFWFLSA-N 1 0 354.372 2.136 20 30 FEEDRO C=C(Br)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@]13C[C@H]1COC3)C2 ZINC001048529591 675009065 /nfs/dbraw/zinc/00/90/65/675009065.db2.gz SOUKKDXFQFPZJP-JBXGNFEISA-N 1 0 369.303 2.291 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H](C)OC ZINC001048573913 675010912 /nfs/dbraw/zinc/01/09/12/675010912.db2.gz IRPBPROQKDYLED-QKDSSNGWSA-N 1 0 350.503 2.362 20 30 FEEDRO CC[C@@H]1[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)CCN1c1snc(C)c1C#N ZINC001048759327 675014514 /nfs/dbraw/zinc/01/45/14/675014514.db2.gz FUIBXLPNCKZNER-VNQPRFMTSA-N 1 0 361.515 2.139 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3cnc(C)s3)C[C@@H]2C1 ZINC001049111444 675023397 /nfs/dbraw/zinc/02/33/97/675023397.db2.gz QKJXODXYAMGECZ-MVJTYMMSSA-N 1 0 361.511 2.323 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]C[C@H](O)COc1c(OC)cccc1OC ZINC000564862751 675069568 /nfs/dbraw/zinc/06/95/68/675069568.db2.gz GDZXYUYRBHGORF-MPGHIAIKSA-N 1 0 351.443 2.014 20 30 FEEDRO CNC(=S)C(C(=O)c1ccc(F)cc1F)[n+]1ccc(N(C)C)cc1 ZINC000022734318 670043470 /nfs/dbraw/zinc/04/34/70/670043470.db2.gz GJBMTMYLTOJOBY-UHFFFAOYSA-O 1 0 350.414 2.477 20 30 FEEDRO C=C(Br)CNC(=[NH+]CC)N1CCN(c2ccccn2)CC1 ZINC000073469904 670502942 /nfs/dbraw/zinc/50/29/42/670502942.db2.gz KLDXENAZAKCNPB-UHFFFAOYSA-N 1 0 352.280 2.078 20 30 FEEDRO C[NH+]=C(NCc1cnc(N(C)C)n1C)N(C)Cc1c(F)cccc1Cl ZINC000087154685 670685847 /nfs/dbraw/zinc/68/58/47/670685847.db2.gz AXESRLNJPKMRIB-UHFFFAOYSA-N 1 0 366.872 2.486 20 30 FEEDRO CCc1ccc(NC(=[NH2+])NCc2ccccc2S(=O)(=O)N(C)C)cc1 ZINC000104159293 670790522 /nfs/dbraw/zinc/79/05/22/670790522.db2.gz VWHHYJGXHFSPBN-UHFFFAOYSA-N 1 0 360.483 2.426 20 30 FEEDRO Cc1nc(SCC(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)c(C#N)c(C)c1C ZINC000573574260 671138750 /nfs/dbraw/zinc/13/87/50/671138750.db2.gz COTBWLJJSRXDHW-IYBDPMFKSA-N 1 0 358.511 2.429 20 30 FEEDRO CCCOc1ccc(C[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)cc1 ZINC000573603078 671141926 /nfs/dbraw/zinc/14/19/26/671141926.db2.gz VVESRZFBPMTZTM-UHFFFAOYSA-N 1 0 359.451 2.306 20 30 FEEDRO C[C@H](Cc1ccc(F)c(Br)c1)[NH2+]C[C@H](O)CN(C)CCC#N ZINC000566117304 675182830 /nfs/dbraw/zinc/18/28/30/675182830.db2.gz UEIAGUPKPBFZMT-OCCSQVGLSA-N 1 0 372.282 2.315 20 30 FEEDRO CCO[C@@H](C[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)c1ccccc1 ZINC000574803363 671278057 /nfs/dbraw/zinc/27/80/57/671278057.db2.gz GGWZSWKCMCYUEH-KRWDZBQOSA-N 1 0 359.451 2.094 20 30 FEEDRO CN(CCC#N)C(=O)CC[NH+]1CCC(Oc2cncc(Cl)c2)CC1 ZINC000575204057 671305026 /nfs/dbraw/zinc/30/50/26/671305026.db2.gz QORFESFOVHMZBD-UHFFFAOYSA-N 1 0 350.850 2.340 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)c(F)c1 ZINC000566228570 675196212 /nfs/dbraw/zinc/19/62/12/675196212.db2.gz NSELMDYRAKUBMO-CVEARBPZSA-N 1 0 359.426 2.060 20 30 FEEDRO N#CCN1CCC(NC(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)CC1 ZINC000609339780 675919188 /nfs/dbraw/zinc/91/91/88/675919188.db2.gz REXHDNFEXWOYKD-MRXNPFEDSA-N 1 0 361.515 2.172 20 30 FEEDRO CC(C)[C@@H]([NH3+])CCN(C)S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000578192409 671647673 /nfs/dbraw/zinc/64/76/73/671647673.db2.gz PGKIAKRTVYWYSO-AWEZNQCLSA-N 1 0 374.304 2.315 20 30 FEEDRO Cc1ccc(S(=O)(=O)NCC[NH2+][C@H]2CCc3ccc(C#N)cc32)s1 ZINC000578805637 671690727 /nfs/dbraw/zinc/69/07/27/671690727.db2.gz YFYAQKIFFQPGSY-INIZCTEOSA-N 1 0 361.492 2.484 20 30 FEEDRO COC1CC[NH+](C(C)(C)CNS(=O)(=O)c2cc(C#N)ccc2C)CC1 ZINC000609632830 675930052 /nfs/dbraw/zinc/93/00/52/675930052.db2.gz WGVRVKHMMHCYQJ-UHFFFAOYSA-N 1 0 365.499 2.034 20 30 FEEDRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)CC1(C#N)CCC1 ZINC000579291231 671725114 /nfs/dbraw/zinc/72/51/14/671725114.db2.gz GZACOXUSVPKQKH-GOSISDBHSA-N 1 0 361.511 2.464 20 30 FEEDRO N#Cc1cc(S(=O)(=O)N2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)ccc1Cl ZINC000580174837 671787918 /nfs/dbraw/zinc/78/79/18/671787918.db2.gz PWHAIXUKQMJYON-MLGOLLRUSA-N 1 0 353.875 2.364 20 30 FEEDRO C=CCNC(=O)NC(=O)C[N@@H+](CCC)[C@@H]1C[C@H](OCC)C12CCCC2 ZINC000610134189 675955917 /nfs/dbraw/zinc/95/59/17/675955917.db2.gz USHBPRLRIBMNGG-CVEARBPZSA-N 1 0 351.491 2.448 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2CC[C@]3(C2)CCC[NH2+]C3)cc1C(F)(F)F ZINC000581666870 671923338 /nfs/dbraw/zinc/92/33/38/671923338.db2.gz DSEACNDDMOCOFH-OAHLLOKOSA-N 1 0 373.400 2.341 20 30 FEEDRO C[C@H](C#N)Oc1ccc(C[NH2+]CCNS(=O)(=O)c2cccs2)cc1 ZINC000122220004 671964023 /nfs/dbraw/zinc/96/40/23/671964023.db2.gz TZDDEVRIOUACCK-CYBMUJFWSA-N 1 0 365.480 2.107 20 30 FEEDRO CC(C)C[C@](C)(C[NH3+])NS(=O)(=O)c1cccc(Br)c1C#N ZINC000583439956 672095286 /nfs/dbraw/zinc/09/52/86/672095286.db2.gz BTSVUCIEVPKSDG-CQSZACIVSA-N 1 0 374.304 2.363 20 30 FEEDRO CC[C@H](C)c1ccc(NC(=[NH2+])NC[C@H]2CCN(S(C)(=O)=O)C2)cc1 ZINC000133861765 672116229 /nfs/dbraw/zinc/11/62/29/672116229.db2.gz MFMVKLDDMBNXJZ-UONOGXRCSA-N 1 0 352.504 2.208 20 30 FEEDRO CC[C@@H](C)c1ccc(NC(=[NH2+])NC[C@@H]2CCN(S(C)(=O)=O)C2)cc1 ZINC000133861133 672116241 /nfs/dbraw/zinc/11/62/41/672116241.db2.gz MFMVKLDDMBNXJZ-KGLIPLIRSA-N 1 0 352.504 2.208 20 30 FEEDRO Cc1cn2c(n1)[C@H](C[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)CCC2 ZINC000583747793 672122884 /nfs/dbraw/zinc/12/28/84/672122884.db2.gz DSBYUHBKFWVWTD-INIZCTEOSA-N 1 0 358.467 2.004 20 30 FEEDRO C[NH+]=C(NCc1oc2ccccc2c1C)N1CCS(=O)(=O)C(C)(C)C1 ZINC000158646938 672271539 /nfs/dbraw/zinc/27/15/39/672271539.db2.gz RSBFFQMDTVTOAN-UHFFFAOYSA-N 1 0 363.483 2.326 20 30 FEEDRO C[NH+]=C(NCc1ccc(Cl)s1)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000179077542 672398553 /nfs/dbraw/zinc/39/85/53/672398553.db2.gz MEXFNLGJWAATBP-ZDUSSCGKSA-N 1 0 356.923 2.131 20 30 FEEDRO CCOC(=O)CC[C@@H]1CCC[N@@H+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000611037986 676013727 /nfs/dbraw/zinc/01/37/27/676013727.db2.gz FXFLANJKIYJKFN-JTDSTZFVSA-N 1 0 351.491 2.485 20 30 FEEDRO CC1(C)CN(Cc2ccc(Br)cc2C#N)CC[N@@H+]1CCO ZINC000588204913 672457396 /nfs/dbraw/zinc/45/73/96/672457396.db2.gz JCCORNQWKUYCSR-UHFFFAOYSA-N 1 0 352.276 2.209 20 30 FEEDRO CCOc1ccc([C@H](C)[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)cc1 ZINC000588963783 672496377 /nfs/dbraw/zinc/49/63/77/672496377.db2.gz JWAALZMJQHMZBG-AWEZNQCLSA-N 1 0 359.451 2.476 20 30 FEEDRO CC[C@@H]1CN(C(=O)C(=O)Nc2scc(C(C)(C)C)c2C#N)CC[C@@H]1[NH3+] ZINC000591303869 672667586 /nfs/dbraw/zinc/66/75/86/672667586.db2.gz FLNSTIVMZRVKON-RISCZKNCSA-N 1 0 362.499 2.442 20 30 FEEDRO CC[C@H]1CN(C(=O)C(=O)Nc2scc(C(C)(C)C)c2C#N)CC[C@H]1[NH3+] ZINC000591303870 672667736 /nfs/dbraw/zinc/66/77/36/672667736.db2.gz FLNSTIVMZRVKON-SMDDNHRTSA-N 1 0 362.499 2.442 20 30 FEEDRO N#CC[C@@]1(O)CCN(C(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)C1 ZINC000591938706 672724191 /nfs/dbraw/zinc/72/41/91/672724191.db2.gz KGLAIFFTKIHHNG-MAUKXSAKSA-N 1 0 362.499 2.020 20 30 FEEDRO C[C@@H]1CCCN(S(=O)(=O)c2ccc(C#N)c(Br)c2)[C@@H]1C[NH3+] ZINC000592370563 672792925 /nfs/dbraw/zinc/79/29/25/672792925.db2.gz RHCSMCOIPYERCJ-QMTHXVAHSA-N 1 0 372.288 2.069 20 30 FEEDRO C[C@H](CC(=O)N(CCC#N)CCC[NH+](C)C)n1cc(Br)cn1 ZINC000592753839 672833824 /nfs/dbraw/zinc/83/38/24/672833824.db2.gz VSZGFRSEMVOERG-CYBMUJFWSA-N 1 0 370.295 2.291 20 30 FEEDRO Cc1nnc(-c2cccc(C#N)c2)n1C[N@@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000246915550 672844157 /nfs/dbraw/zinc/84/41/57/672844157.db2.gz MTVJVEMVRVQEKT-IAGOWNOFSA-N 1 0 355.467 2.289 20 30 FEEDRO O=C(NCC[NH2+]Cc1cccc(OC(F)(F)F)c1)C1N=CC=CC1=O ZINC000255613286 672894181 /nfs/dbraw/zinc/89/41/81/672894181.db2.gz JOYDEJAALRXDOS-CCEZHUSRSA-N 1 0 355.316 2.201 20 30 FEEDRO C[NH+]=C(NCc1cc(Cl)c2c(c1)OCCO2)NC[C@@]1(C)CCCO1 ZINC000261657631 672900727 /nfs/dbraw/zinc/90/07/27/672900727.db2.gz AQMVGHYBRGFZSK-QGZVFWFLSA-N 1 0 353.850 2.345 20 30 FEEDRO CC[C@]1(C)CCN(C(NCCNS(=O)(=O)c2ccc(C)s2)=[NH+]C)C1 ZINC000261711523 672902211 /nfs/dbraw/zinc/90/22/11/672902211.db2.gz HGBANHVXRKCOKO-MRXNPFEDSA-N 1 0 372.560 2.032 20 30 FEEDRO CC[NH+]=C(NC[C@H]1CCS(=O)(=O)C1)N1CCSC2(CCCCC2)C1 ZINC000261915447 672905058 /nfs/dbraw/zinc/90/50/58/672905058.db2.gz JTYCKWYVTVSISP-OAHLLOKOSA-N 1 0 373.588 2.138 20 30 FEEDRO CCNC(NCc1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1)=[NH+]CC ZINC000261942718 672905476 /nfs/dbraw/zinc/90/54/76/672905476.db2.gz DYBKSLILASMRPK-HNNXBMFYSA-N 1 0 366.531 2.182 20 30 FEEDRO C=C(C)CNC(=[NH2+])NCc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1 ZINC000261995526 672907089 /nfs/dbraw/zinc/90/70/89/672907089.db2.gz NLTRKPJGCMAKEJ-OAHLLOKOSA-N 1 0 364.515 2.088 20 30 FEEDRO CC[NH+]=C(NCCOc1ccc(F)cc1F)N1CC[C@@]2(CCOC2)C1 ZINC000262010107 672907465 /nfs/dbraw/zinc/90/74/65/672907465.db2.gz WLGNKVONWGRFQS-GOSISDBHSA-N 1 0 353.413 2.422 20 30 FEEDRO Cc1ccc(S(=O)(=O)NCCNC(=[NH2+])Nc2cc(C)cc(C)c2)cc1 ZINC000262021943 672907864 /nfs/dbraw/zinc/90/78/64/672907864.db2.gz YBXAPKRKFYAYMV-UHFFFAOYSA-N 1 0 360.483 2.317 20 30 FEEDRO CC1(C[NH+]=C(NC[C@@H]2CCS(=O)(=O)C2)NC2CC2)CCCCCC1 ZINC000262345669 672913937 /nfs/dbraw/zinc/91/39/37/672913937.db2.gz DFXRVJZCJMQBMZ-HNNXBMFYSA-N 1 0 355.548 2.479 20 30 FEEDRO [NH2+]=C(NC[C@@H]1CCCCS1(=O)=O)Nc1cccc(OC(F)(F)F)c1 ZINC000262412532 672915077 /nfs/dbraw/zinc/91/50/77/672915077.db2.gz XYKKHZDUYSZLQU-LBPRGKRZSA-N 1 0 365.377 2.279 20 30 FEEDRO C[N@@H+]1CCC[C@@H](CNC(=O)Cc2ccc(Br)cc2C#N)C1 ZINC000593455550 672926030 /nfs/dbraw/zinc/92/60/30/672926030.db2.gz VWBKCYSDEHXCGQ-LBPRGKRZSA-N 1 0 350.260 2.321 20 30 FEEDRO N#Cc1sccc1S(=O)(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000593565837 672945133 /nfs/dbraw/zinc/94/51/33/672945133.db2.gz AEGKELUHWHHBCO-GXTWGEPZSA-N 1 0 351.497 2.257 20 30 FEEDRO CC(C)C[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000593659215 672972882 /nfs/dbraw/zinc/97/28/82/672972882.db2.gz TUGWYBBLVNBLNY-UHFFFAOYSA-N 1 0 350.850 2.244 20 30 FEEDRO C=CCN1CC[C@@H]([N@H+](C)C[C@@H](O)COc2ccc(Cl)c(Cl)c2)C1=O ZINC000685004368 672984777 /nfs/dbraw/zinc/98/47/77/672984777.db2.gz WRFSXPCOVHASGN-MLGOLLRUSA-N 1 0 373.280 2.452 20 30 FEEDRO C[C@H]1CCCN(C(=[NH2+])NCCNC(=O)c2ccc(Br)cc2)C1 ZINC000303884012 673018291 /nfs/dbraw/zinc/01/82/91/673018291.db2.gz MNESFJWXRDWGRF-LBPRGKRZSA-N 1 0 367.291 2.226 20 30 FEEDRO Cc1nc(C)c(CCNC(=[NH2+])N2CCN(C(=O)OC(C)(C)C)CC2)s1 ZINC000304747329 673020248 /nfs/dbraw/zinc/02/02/48/673020248.db2.gz GGMBKBOMPJHANP-UHFFFAOYSA-N 1 0 367.519 2.170 20 30 FEEDRO C[C@@H]1CN(Cc2csc(NC(=O)NC3CC[NH+](C)CC3)n2)C[C@H](C)O1 ZINC000328722866 673065268 /nfs/dbraw/zinc/06/52/68/673065268.db2.gz AHNZTIAHHNOABD-BETUJISGSA-N 1 0 367.519 2.172 20 30 FEEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)CCN2CCCS2(=O)=O)C1 ZINC000329103358 673072215 /nfs/dbraw/zinc/07/22/15/673072215.db2.gz DFKDXYAGXLCICU-NVXWUHKLSA-N 1 0 365.499 2.204 20 30 FEEDRO N#CCCCC[C@H]([NH3+])C(=O)N1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000594444617 673073028 /nfs/dbraw/zinc/07/30/28/673073028.db2.gz AAVMLFUYRVEHJF-ZDUSSCGKSA-N 1 0 357.380 2.477 20 30 FEEDRO CC[NH+]1CCN(CCNC(=S)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000726466816 673124686 /nfs/dbraw/zinc/12/46/86/673124686.db2.gz XGBADCXXJQNRML-UHFFFAOYSA-N 1 0 351.907 2.136 20 30 FEEDRO O=C(NCC#Cc1cccc(C(F)(F)F)c1)N[C@H]1CC12CC[NH2+]CC2 ZINC000612961701 676104370 /nfs/dbraw/zinc/10/43/70/676104370.db2.gz ASNVNFHNHKUSFY-HNNXBMFYSA-N 1 0 351.372 2.498 20 30 FEEDRO C[C@H]1CC[C@H]([NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)CS1(=O)=O ZINC000594973751 673181577 /nfs/dbraw/zinc/18/15/77/673181577.db2.gz DXJMDDPOCOGGFJ-GUYCJALGSA-N 1 0 358.467 2.014 20 30 FEEDRO C[C@@H]1CC[C@@H]([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CS1(=O)=O ZINC000594975198 673182124 /nfs/dbraw/zinc/18/21/24/673182124.db2.gz MRQFGUSLDFMKIZ-DNVCBOLYSA-N 1 0 361.511 2.078 20 30 FEEDRO N#Cc1cccc(CS(=O)(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)c1 ZINC000595119546 673196877 /nfs/dbraw/zinc/19/68/77/673196877.db2.gz GCOAMLOBQUPWQE-RTBURBONSA-N 1 0 355.463 2.123 20 30 FEEDRO CCC[N@@H+]1CC[C@H](NS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)C1 ZINC000595352720 673230708 /nfs/dbraw/zinc/23/07/08/673230708.db2.gz CBFKDUMBCZPRKZ-LBPRGKRZSA-N 1 0 361.389 2.340 20 30 FEEDRO CCCc1cc[n+](C(C(=O)c2cc(C(=O)OC)co2)C(=S)NC)cc1 ZINC000729669461 673243381 /nfs/dbraw/zinc/24/33/81/673243381.db2.gz YMYFUTGHCXXRMZ-UHFFFAOYSA-O 1 0 361.443 2.464 20 30 FEEDRO C#CCOc1ccc(Br)cc1C[NH2+]CCN1CCOC[C@@H]1C ZINC000729679333 673243558 /nfs/dbraw/zinc/24/35/58/673243558.db2.gz VEHWBXUUKFYHJN-AWEZNQCLSA-N 1 0 367.287 2.271 20 30 FEEDRO N#Cc1cc(F)ccc1S(=O)(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000595409058 673245499 /nfs/dbraw/zinc/24/54/99/673245499.db2.gz JPAVXOJQGVKTRH-UHFFFAOYSA-N 1 0 351.447 2.098 20 30 FEEDRO N#Cc1cc(S(=O)(=O)NCC2CC[NH+](CC3CC3)CC2)ccc1F ZINC000595412709 673246325 /nfs/dbraw/zinc/24/63/25/673246325.db2.gz SFSDSJDFZQNECG-UHFFFAOYSA-N 1 0 351.447 2.098 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CCC[C@]2(C)C(=O)OCC)CC1 ZINC000595496042 673258061 /nfs/dbraw/zinc/25/80/61/673258061.db2.gz YENLPALDJSKJSC-LPHOPBHVSA-N 1 0 351.491 2.448 20 30 FEEDRO C[N@@H+](CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)C[C@@H]1CC1(C)C ZINC000595910945 673337618 /nfs/dbraw/zinc/33/76/18/673337618.db2.gz UTJURRNTZBSBJD-HOTGVXAUSA-N 1 0 360.527 2.435 20 30 FEEDRO COC(=O)c1cnc([C@@H]2CCCN(C(=O)[C@H]([NH3+])CCCCC#N)C2)s1 ZINC000595998039 673346841 /nfs/dbraw/zinc/34/68/41/673346841.db2.gz WPZIULBVQSMXNI-CHWSQXEVSA-N 1 0 364.471 2.047 20 30 FEEDRO CCOc1cc(C=NNC(=S)NCCC[NH+](C)C)ccc1OC(F)F ZINC000731929283 673348237 /nfs/dbraw/zinc/34/82/37/673348237.db2.gz URXROMIBPIVZKP-UHFFFAOYSA-N 1 0 374.457 2.436 20 30 FEEDRO C[NH+](C)CCCNC(=S)NN=C1C(=O)Nc2c1ccc(Cl)c2Cl ZINC000731928032 673348308 /nfs/dbraw/zinc/34/83/08/673348308.db2.gz BJONPDBHTRAKCN-UHFFFAOYSA-N 1 0 374.297 2.065 20 30 FEEDRO C[C@@H](c1ccccc1)[C@H](O)C[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000596067785 673355498 /nfs/dbraw/zinc/35/54/98/673355498.db2.gz AMINNPKVGYPXSM-HNAYVOBHSA-N 1 0 358.463 2.086 20 30 FEEDRO N#Cc1cc(F)c(N2CCC([N@@H+]3CC[C@H](O)C3)CC2)cc1Br ZINC000596537922 673392521 /nfs/dbraw/zinc/39/25/21/673392521.db2.gz JWIFVGOVCYOFKE-ZDUSSCGKSA-N 1 0 368.250 2.495 20 30 FEEDRO C[NH+]1CCN(c2cc(-c3noc(-c4cc(C#N)cs4)n3)ccn2)CC1 ZINC000596603089 673396697 /nfs/dbraw/zinc/39/66/97/673396697.db2.gz UATAUEAONMRGFC-UHFFFAOYSA-N 1 0 352.423 2.484 20 30 FEEDRO C[C@H]([NH2+]C[C@H](O)CS(=O)(=O)c1cccs1)c1ccc(C#N)c(F)c1 ZINC000539606750 673498094 /nfs/dbraw/zinc/49/80/94/673498094.db2.gz NZAMWKCRBXOSBP-FZMZJTMJSA-N 1 0 368.455 2.244 20 30 FEEDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)COc1ccc(C#N)c(Br)c1 ZINC000597701893 673500909 /nfs/dbraw/zinc/50/09/09/673500909.db2.gz WVXUIQKIODHMGB-ABAIWWIYSA-N 1 0 366.259 2.251 20 30 FEEDRO C=C(Cl)CNC(=O)NCCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000736398847 673524099 /nfs/dbraw/zinc/52/40/99/673524099.db2.gz GVOHAALFTQPOJR-UHFFFAOYSA-N 1 0 366.893 2.259 20 30 FEEDRO CC[C@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)c1c(C)nn(C)c1C ZINC000542525076 673588964 /nfs/dbraw/zinc/58/89/64/673588964.db2.gz CINPAMVJPSDWEZ-KRWDZBQOSA-N 1 0 360.483 2.423 20 30 FEEDRO CC(C)(C#N)C[C@@H](O)C[NH2+]C[C@@H](CO)Cc1cccc(Br)c1 ZINC000598729587 673604066 /nfs/dbraw/zinc/60/40/66/673604066.db2.gz LLVYORJRJVILHB-GOEBONIOSA-N 1 0 369.303 2.490 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNS(=O)(=O)c1cncc(OC)c1)C(C)C ZINC000543414529 673645806 /nfs/dbraw/zinc/64/58/06/673645806.db2.gz WBVPSVFBRCSDIM-KRWDZBQOSA-N 1 0 353.488 2.067 20 30 FEEDRO C[C@H]([NH2+]C[C@H](O)CC1(C#N)CCOCC1)[C@H]1OCCc2sccc21 ZINC000599426721 673674322 /nfs/dbraw/zinc/67/43/22/673674322.db2.gz OBGQRGOCVLKGPN-JJRVBVJISA-N 1 0 350.484 2.411 20 30 FEEDRO C[N@H+](C[C@H](O)CC1(C#N)CCOCC1)[C@H](CO)c1ccc(Cl)cc1 ZINC000599431658 673675218 /nfs/dbraw/zinc/67/52/18/673675218.db2.gz NBNXOGKCLDAIHO-IAGOWNOFSA-N 1 0 352.862 2.377 20 30 FEEDRO CN(CCOCC[NH3+])C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 ZINC000599593246 673695104 /nfs/dbraw/zinc/69/51/04/673695104.db2.gz BTVUKBYPUYLUDY-UHFFFAOYSA-N 1 0 359.455 2.045 20 30 FEEDRO N#Cc1c2c(sc1NC(=O)CCN1CCO[C@@H](CCF)C1)CCC2 ZINC000599642626 673701059 /nfs/dbraw/zinc/70/10/59/673701059.db2.gz OGPDRUMRRTWSKR-LBPRGKRZSA-N 1 0 351.447 2.497 20 30 FEEDRO COc1cc(NC(=O)N2C[C@@H]([NH+](C)C)[C@@H](SC)C2)c(F)cc1C#N ZINC000599813948 673719996 /nfs/dbraw/zinc/71/99/96/673719996.db2.gz BOQIGJMZEQXKDJ-HIFRSBDPSA-N 1 0 352.435 2.215 20 30 FEEDRO CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)Nc1scc(C(C)(C)C)c1C#N ZINC000599891164 673726654 /nfs/dbraw/zinc/72/66/54/673726654.db2.gz ZNTDBMICLJYBOR-CQSZACIVSA-N 1 0 362.499 2.312 20 30 FEEDRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000599935359 673728936 /nfs/dbraw/zinc/72/89/36/673728936.db2.gz PNKCKYYUKJJDHX-JKSUJKDBSA-N 1 0 361.877 2.184 20 30 FEEDRO C[C@H]1CC[C@H](NC(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)C[NH2+]1 ZINC000599935020 673728959 /nfs/dbraw/zinc/72/89/59/673728959.db2.gz UZXRUHPSFLPKKV-ZFWWWQNUSA-N 1 0 361.877 2.184 20 30 FEEDRO CCC(C#N)(CC)C(=O)N[C@@H](CC(C)C)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000599968507 673730985 /nfs/dbraw/zinc/73/09/85/673730985.db2.gz KQIFAVJNXRNGFA-HOTGVXAUSA-N 1 0 350.507 2.010 20 30 FEEDRO CC1([NH+]2CCOCC2)CCN(C(=O)CSc2ccc(C#N)cc2)CC1 ZINC000600408954 673764993 /nfs/dbraw/zinc/76/49/93/673764993.db2.gz DVMPUCOFNLYNST-UHFFFAOYSA-N 1 0 359.495 2.364 20 30 FEEDRO N#Cc1ccccc1CSCC[NH2+]C[C@@H](O)CC1(C#N)CCOCC1 ZINC000600714440 673793897 /nfs/dbraw/zinc/79/38/97/673793897.db2.gz MDLPXLPFTITFLF-SFHVURJKSA-N 1 0 359.495 2.452 20 30 FEEDRO N#CC1(C[C@H](O)C[NH2+]Cc2cc(Cl)c3c(c2)OCCO3)CCOCC1 ZINC000600717016 673793982 /nfs/dbraw/zinc/79/39/82/673793982.db2.gz IHEHENDYQDPZLL-AWEZNQCLSA-N 1 0 366.845 2.272 20 30 FEEDRO C[C@@H](COc1ccc(F)cc1F)[NH2+]C[C@@H](O)CC1(C#N)CCOCC1 ZINC000600720783 673794284 /nfs/dbraw/zinc/79/42/84/673794284.db2.gz QMCHDMPEUQTGQO-ZFWWWQNUSA-N 1 0 354.397 2.393 20 30 FEEDRO COc1cc(F)cc(C[C@H](C)[NH2+]C[C@H](O)CC2(C#N)CCOCC2)c1 ZINC000600734773 673795520 /nfs/dbraw/zinc/79/55/20/673795520.db2.gz GADBZDGAGCYPBE-WMLDXEAASA-N 1 0 350.434 2.426 20 30 FEEDRO CN(C)C[C@H]([NH2+]C[C@H](O)CN(C)CCC#N)c1ccc(Cl)c(Cl)c1 ZINC000600754798 673796536 /nfs/dbraw/zinc/79/65/36/673796536.db2.gz IICPGSFISZOFAK-YOEHRIQHSA-N 1 0 373.328 2.392 20 30 FEEDRO CC(C)(C#N)C[C@@H](O)C[NH2+]C[C@H]1CN(c2ccc(Cl)cc2)CCO1 ZINC000600752219 673796543 /nfs/dbraw/zinc/79/65/43/673796543.db2.gz CKRIJRKYHVLQHC-SJORKVTESA-N 1 0 351.878 2.436 20 30 FEEDRO CN(CCC#N)C[C@@H](O)C[NH2+][C@H](CCO)c1cc(Cl)cc(Cl)c1 ZINC000600758928 673796938 /nfs/dbraw/zinc/79/69/38/673796938.db2.gz DGVPTZLEQZZIGV-JKSUJKDBSA-N 1 0 360.285 2.213 20 30 FEEDRO Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000601340229 673844928 /nfs/dbraw/zinc/84/49/28/673844928.db2.gz NOUOIGXZPJBWKN-INIZCTEOSA-N 1 0 351.447 2.255 20 30 FEEDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNS(=O)(=O)CC1(CC#N)CC1 ZINC000601481362 673869448 /nfs/dbraw/zinc/86/94/48/673869448.db2.gz DZHQCVAKAJDXGQ-SJLPKXTDSA-N 1 0 361.511 2.368 20 30 FEEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000601575034 673883474 /nfs/dbraw/zinc/88/34/74/673883474.db2.gz FRRQOEXKVXAFBU-MGPQQGTHSA-N 1 0 360.483 2.073 20 30 FEEDRO C[C@H](CNS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1)[NH+]1CCCC1 ZINC000548041551 673917498 /nfs/dbraw/zinc/91/74/98/673917498.db2.gz XANNRBILCMCCCX-LLVKDONJSA-N 1 0 361.389 2.340 20 30 FEEDRO N#Cc1cc(Br)ccc1Cn1cc([C@H]([NH3+])[C@@H]2CCCO2)nn1 ZINC000603241336 673919542 /nfs/dbraw/zinc/91/95/42/673919542.db2.gz KKDKCNSATOMMLC-GJZGRUSLSA-N 1 0 362.231 2.139 20 30 FEEDRO N#Cc1ccc(Cn2cc([C@H]([NH3+])[C@@H]3CCCO3)nn2)c(Br)c1 ZINC000603243294 673919700 /nfs/dbraw/zinc/91/97/00/673919700.db2.gz JWMNCOCOAMGLHG-GJZGRUSLSA-N 1 0 362.231 2.139 20 30 FEEDRO C#CC[N@@H+](C)CCCNC(=O)c1cnc(SC)n1-c1ccc(F)cc1 ZINC000818584723 675226136 /nfs/dbraw/zinc/22/61/36/675226136.db2.gz VSBWVKAWXXNJMH-UHFFFAOYSA-N 1 0 360.458 2.418 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)c1ccc(C)c(I)c1 ZINC000818593025 675226808 /nfs/dbraw/zinc/22/68/08/675226808.db2.gz IDCMTDVAQHMCCF-UHFFFAOYSA-N 1 0 370.234 2.285 20 30 FEEDRO C#CC[N@@H+](C)CCCNC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1CC ZINC000818602918 675227913 /nfs/dbraw/zinc/22/79/13/675227913.db2.gz JMSRAYYDAVVHBZ-HZPDHXFCSA-N 1 0 351.491 2.093 20 30 FEEDRO N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)N2CCC[C@@H](C[NH3+])C2)n1 ZINC000566608786 675228237 /nfs/dbraw/zinc/22/82/37/675228237.db2.gz PQJZNDBWAAIDEQ-LBPRGKRZSA-N 1 0 358.833 2.600 20 30 FEEDRO CC[C@@H](CS(=O)(=O)c1ccccc1)[NH2+]C[C@@H](O)c1ccc(C#N)cc1 ZINC000819187700 675267859 /nfs/dbraw/zinc/26/78/59/675267859.db2.gz QFCGSWDQWXEUEE-PKOBYXMFSA-N 1 0 358.463 2.434 20 30 FEEDRO C[N@@H+]1CCC[C@H](CNC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)C1 ZINC000819256199 675274515 /nfs/dbraw/zinc/27/45/15/675274515.db2.gz JVKHNBYRLMQVTG-HUUCEWRRSA-N 1 0 352.479 2.032 20 30 FEEDRO CC(C)(C)OC(=O)CS(=O)(=O)CC[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000819295883 675278232 /nfs/dbraw/zinc/27/82/32/675278232.db2.gz TVUNEIBPYZVXTF-UHFFFAOYSA-N 1 0 372.874 2.058 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]C[C@@H](O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000819351111 675284305 /nfs/dbraw/zinc/28/43/05/675284305.db2.gz USHHUSLAOAHDDD-ZACQAIPSSA-N 1 0 354.491 2.318 20 30 FEEDRO C[NH+](C)C1(CNC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)CCC1 ZINC000819505282 675295076 /nfs/dbraw/zinc/29/50/76/675295076.db2.gz CKIAPGXLJNFHRC-CQSZACIVSA-N 1 0 352.479 2.174 20 30 FEEDRO OCC[NH+]1CCC(=NNC(=S)Nc2cccc(Br)c2)CC1 ZINC000819803202 675315864 /nfs/dbraw/zinc/31/58/64/675315864.db2.gz KGMFKBHNJNJWHH-UHFFFAOYSA-N 1 0 371.304 2.180 20 30 FEEDRO C#C[C@@H](NC(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1)c1ccc(Cl)cc1 ZINC000820553983 675369582 /nfs/dbraw/zinc/36/95/82/675369582.db2.gz YJKMOOOBYKRDIU-QZTJIDSGSA-N 1 0 361.873 2.255 20 30 FEEDRO C[NH+]1CCC(O)(CNC(=O)Nc2scc(C(C)(C)C)c2C#N)CC1 ZINC000821482153 675437332 /nfs/dbraw/zinc/43/73/32/675437332.db2.gz QMGPMIWNXWKHDN-UHFFFAOYSA-N 1 0 350.488 2.495 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@H]2CSC(c3ccccc3O)=N2)CC1 ZINC000826662639 675698753 /nfs/dbraw/zinc/69/87/53/675698753.db2.gz LLSBXYVBLMEYPJ-MRXNPFEDSA-N 1 0 359.495 2.411 20 30 FEEDRO O=C(C#Cc1cccs1)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000827316445 675747615 /nfs/dbraw/zinc/74/76/15/675747615.db2.gz BJYBRZQGOVAIHQ-HKUYNNGSSA-N 1 0 354.475 2.099 20 30 FEEDRO C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(F)c1 ZINC000616242982 676243449 /nfs/dbraw/zinc/24/34/49/676243449.db2.gz ARLFKOIVUJRXAA-MRXNPFEDSA-N 1 0 351.422 2.176 20 30 FEEDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)Cc2ccc(C#N)cc2F)C[C@@H]1C ZINC000616419007 676249553 /nfs/dbraw/zinc/24/95/53/676249553.db2.gz HASOOBYQOBUHTL-BBRMVZONSA-N 1 0 353.463 2.332 20 30 FEEDRO C[N@@H+]1CCC[C@H](NC(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)C1 ZINC000618202309 676324612 /nfs/dbraw/zinc/32/46/12/676324612.db2.gz XOPCHWRVCQNIGG-HNNXBMFYSA-N 1 0 361.877 2.137 20 30 FEEDRO CC(C)(C#N)c1ccc(C[N@@H+]2CCC[C@H](N3CCCS3(=O)=O)C2)cc1 ZINC000619057794 676361947 /nfs/dbraw/zinc/36/19/47/676361947.db2.gz LDFPJPRYFPWYAF-SFHVURJKSA-N 1 0 361.511 2.488 20 30 FEEDRO N#Cc1ccc(N2CCC[C@@H]([N@H+](CCO)[C@H]3CCCSC3)C2=O)cc1 ZINC000619569059 676385455 /nfs/dbraw/zinc/38/54/55/676385455.db2.gz FVELGEGARWUOAQ-ZWKOTPCHSA-N 1 0 359.495 2.244 20 30 FEEDRO C[NH+](C)[C@]1(CNC(=O)NCc2ccc(C#N)c(Cl)c2)CCSC1 ZINC000619759567 676393683 /nfs/dbraw/zinc/39/36/83/676393683.db2.gz QYLDVBYDRISHMC-INIZCTEOSA-N 1 0 352.891 2.448 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)Nc2c(Br)c(C)nn2C)CC1 ZINC000640163460 677174236 /nfs/dbraw/zinc/17/42/36/677174236.db2.gz KUNSKJJWLGPOND-UHFFFAOYSA-N 1 0 356.268 2.263 20 30 FEEDRO C=CCOc1cn(-c2ccccc2)nc1C(=O)N[C@@H](CC[NH3+])C(F)F ZINC000648145830 677311945 /nfs/dbraw/zinc/31/19/45/677311945.db2.gz MRBPENIBLJJTHU-ZDUSSCGKSA-N 1 0 350.369 2.149 20 30 FEEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H](C)C(=O)Nc2cccc(S(=O)(=O)NC)c2)C1 ZINC000651700371 677445475 /nfs/dbraw/zinc/44/54/75/677445475.db2.gz BMCDRNMRLFRZLQ-LZWOXQAQSA-N 1 0 365.499 2.256 20 30 FEEDRO C=CC[C@H]1CC[C@H]([NH2+]Cc2cccc(S(=O)(=O)NCCOC)c2)C1 ZINC000651717466 677446841 /nfs/dbraw/zinc/44/68/41/677446841.db2.gz GMXWXBGHJTVGTQ-RDJZCZTQSA-N 1 0 352.500 2.446 20 30 FEEDRO C[NH+](C)CC(C)(C)CNC(=S)N1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000761188854 680714232 /nfs/dbraw/zinc/71/42/32/680714232.db2.gz XPXFRXXPWZQQNP-QGZVFWFLSA-N 1 0 360.527 2.394 20 30 FEEDRO C=CCC1([NH2+]Cc2cc(Cl)c(OCC(N)=O)c(OC)c2)CCOCC1 ZINC000657632318 678019210 /nfs/dbraw/zinc/01/92/10/678019210.db2.gz FRXDGNANJFCTOT-UHFFFAOYSA-N 1 0 368.861 2.428 20 30 FEEDRO COC(=O)C[C@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCC2)C1CC1 ZINC000839552916 680760933 /nfs/dbraw/zinc/76/09/33/680760933.db2.gz UINSYZKPDUPXCD-AWEZNQCLSA-N 1 0 361.467 2.368 20 30 FEEDRO C=CC[C@@H]1CCCC[C@H]1NC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000660583429 678360876 /nfs/dbraw/zinc/36/08/76/678360876.db2.gz BXVFZNDERSMBJR-IXDOHACOSA-N 1 0 350.507 2.008 20 30 FEEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]CCC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000661118033 678437288 /nfs/dbraw/zinc/43/72/88/678437288.db2.gz VQLDUQQGNMOREK-WMLDXEAASA-N 1 0 365.499 2.387 20 30 FEEDRO C=CC[N@@H+](CCC(=O)Nc1ccc(C(N)=O)c(Cl)c1)[C@@H](C)COC ZINC000661241781 678456913 /nfs/dbraw/zinc/45/69/13/678456913.db2.gz GHTIZRXNEGEPKF-LBPRGKRZSA-N 1 0 353.850 2.290 20 30 FEEDRO C=CC[N@@H+](CC(=O)N(CC)CC(=O)NCc1cccs1)C(C)(C)C ZINC000661755367 678529927 /nfs/dbraw/zinc/52/99/27/678529927.db2.gz LFJXAOBQTMVRHZ-UHFFFAOYSA-N 1 0 351.516 2.499 20 30 FEEDRO C=C(C[NH+](C)C)C(=O)N[C@H](C)c1ccc(S(=O)(=O)N(CC)CC)cc1 ZINC000763945421 680796204 /nfs/dbraw/zinc/79/62/04/680796204.db2.gz RZYDFIMZVUKFMR-OAHLLOKOSA-N 1 0 367.515 2.012 20 30 FEEDRO C=CC[C@]1(C(=O)Nc2ccc(N(C)S(=O)(=O)CC)cc2)CCC[NH2+]1 ZINC000662891251 678670618 /nfs/dbraw/zinc/67/06/18/678670618.db2.gz ZYRLARONBCTISZ-QGZVFWFLSA-N 1 0 351.472 2.109 20 30 FEEDRO C=CC[C@@H]1CCCC[C@@H]1NC(=O)N1CCN(CCOCCOC)CC1 ZINC000665384914 678957003 /nfs/dbraw/zinc/95/70/03/678957003.db2.gz RGTXAPPAHCBTFY-MSOLQXFVSA-N 1 0 353.507 2.112 20 30 FEEDRO C=C(C)C[C@@H](NC(C)=O)C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000668626311 679189523 /nfs/dbraw/zinc/18/95/23/679189523.db2.gz BHYOKLBWOPLFMQ-QGZVFWFLSA-N 1 0 367.559 2.325 20 30 FEEDRO C[C@@H](C[NH+](C)C)NC(=O)C(=O)Nc1cccc(C#Cc2cccs2)c1 ZINC000673149986 679413238 /nfs/dbraw/zinc/41/32/38/679413238.db2.gz YMSIUDOKGFJMJE-AWEZNQCLSA-N 1 0 355.463 2.153 20 30 FEEDRO C=CCC[C@H](O)C[NH2+][C@H](CO)c1ccccc1I ZINC000934828153 681643393 /nfs/dbraw/zinc/64/33/93/681643393.db2.gz IAWOBOPGCIALLF-SMDDNHRTSA-N 1 0 361.223 2.241 20 30 FEEDRO C#CCCCS(=O)(=O)Nc1cc(Cl)ccc1N1CC[NH+](C)CC1 ZINC000840946281 680855638 /nfs/dbraw/zinc/85/56/38/680855638.db2.gz NGOJJGLMFSBFGY-UHFFFAOYSA-N 1 0 355.891 2.247 20 30 FEEDRO C#CCNC(=O)C1CC[NH+](CCOc2cccc(Br)c2)CC1 ZINC000747823139 679905250 /nfs/dbraw/zinc/90/52/50/679905250.db2.gz LYUHHZULOFSWGG-UHFFFAOYSA-N 1 0 365.271 2.289 20 30 FEEDRO CCCCCCNC(=O)[C@H]1CCC[N@@H+]([C@H](C)C(=O)N(C)CCC#N)C1 ZINC000748318231 679951844 /nfs/dbraw/zinc/95/18/44/679951844.db2.gz NYYJISWWJJAECW-SJORKVTESA-N 1 0 350.507 2.155 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](CCC2CCOCC2)C1 ZINC001008842889 679967488 /nfs/dbraw/zinc/96/74/88/679967488.db2.gz AUIKVKNDRRNMEN-FHWLQOOXSA-N 1 0 350.503 2.365 20 30 FEEDRO C#CCC[NH+]1CCC(NS(=O)(=O)c2cccc3cc(C)cnc32)CC1 ZINC000748671644 679986359 /nfs/dbraw/zinc/98/63/59/679986359.db2.gz GUFMUQPPQTXSCQ-UHFFFAOYSA-N 1 0 357.479 2.309 20 30 FEEDRO C#CCC[NH+]1CCC(NS(=O)(=O)c2cccc(Br)c2)CC1 ZINC000748672469 679986531 /nfs/dbraw/zinc/98/65/31/679986531.db2.gz VGESBSJBUBNHIC-UHFFFAOYSA-N 1 0 371.300 2.215 20 30 FEEDRO C=C(Cl)C(C)(C)C(=O)N1CC[C@@H]2CN(C(=O)C[N@H+]3CC[C@H](C)C3)[C@@H]2C1 ZINC000975224325 680022946 /nfs/dbraw/zinc/02/29/46/680022946.db2.gz OKLNOBJGSQHVAN-NUEKZKHPSA-N 1 0 367.921 2.166 20 30 FEEDRO CC[NH+](CC)[C@H](CNc1ccc(S(N)(=O)=O)cc1C#N)CC(C)C ZINC000749264175 680035156 /nfs/dbraw/zinc/03/51/56/680035156.db2.gz IZVBCGIESSULKM-HNNXBMFYSA-N 1 0 352.504 2.374 20 30 FEEDRO C=C(Cl)C(C)(C)C(=O)N1CC[C@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)[C@H]2C1 ZINC000975723652 680083475 /nfs/dbraw/zinc/08/34/75/680083475.db2.gz PABIAQASVAKLGY-XHSDSOJGSA-N 1 0 367.921 2.309 20 30 FEEDRO C=C(Cl)C[NH2+][C@H]1CCN(C(=O)[C@@H]2OCCO[C@@H]2c2ccccc2)C1 ZINC001018992338 680086278 /nfs/dbraw/zinc/08/62/78/680086278.db2.gz YROHZKPOGZWFBF-GVDBMIGSSA-N 1 0 350.846 2.086 20 30 FEEDRO N#Cc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3C3CCOCC3)C2)s1 ZINC001020387492 680107502 /nfs/dbraw/zinc/10/75/02/680107502.db2.gz WXUKATZJZJZEFE-DFEHZGFQSA-N 1 0 359.495 2.419 20 30 FEEDRO N#CCCNC(=O)C(=O)Nc1ccc(SCC[NH+]2CCCCC2)cc1 ZINC000832393182 680129664 /nfs/dbraw/zinc/12/96/64/680129664.db2.gz LNYWNSNJWVAGRE-UHFFFAOYSA-N 1 0 360.483 2.233 20 30 FEEDRO CCN(CCC#N)C(=O)C[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C1(C)C ZINC000832645762 680159218 /nfs/dbraw/zinc/15/92/18/680159218.db2.gz OXRFJYOUGHGPMB-AWEZNQCLSA-N 1 0 352.479 2.126 20 30 FEEDRO Cn1c(C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)ccc1-c1ccccc1Br ZINC000834495407 680234856 /nfs/dbraw/zinc/23/48/56/680234856.db2.gz VKYSBNLLOPDNBD-SMDDNHRTSA-N 1 0 373.254 2.296 20 30 FEEDRO C=C(Cl)C(C)(C)C(=O)N1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@H](C)C1 ZINC000994335151 680238429 /nfs/dbraw/zinc/23/84/29/680238429.db2.gz HPMCQWIBEUNHQY-UKRRQHHQSA-N 1 0 367.921 2.072 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](CCOC2CCC2)C1 ZINC001023375833 680257289 /nfs/dbraw/zinc/25/72/89/680257289.db2.gz SLMOVKJFNILOGY-UHOSZYNNSA-N 1 0 350.503 2.365 20 30 FEEDRO C[NH+](C)C[C@](C)(CN=Nc1ccc(S(N)(=O)=O)cc1)c1ccccc1 ZINC000834912238 680282069 /nfs/dbraw/zinc/28/20/69/680282069.db2.gz MVPHLMRSHHYXOD-SFHVURJKSA-N 1 0 360.483 2.251 20 30 FEEDRO Ic1ccc(C=NNC2=[NH+][C@@H]3CCCC[C@H]3N2)cc1 ZINC000834965738 680285118 /nfs/dbraw/zinc/28/51/18/680285118.db2.gz HSXLKHYXFXREQC-CHWSQXEVSA-N 1 0 368.222 2.485 20 30 FEEDRO C=C(Cl)C(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC000982803513 680288131 /nfs/dbraw/zinc/28/81/31/680288131.db2.gz IEYDRYDQTPLYEL-OWCLPIDISA-N 1 0 369.937 2.460 20 30 FEEDRO C=C(Br)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)CC1(C)C ZINC000995920576 680312111 /nfs/dbraw/zinc/31/21/11/680312111.db2.gz CKGUNXBTUIEROY-YRGRVCCFSA-N 1 0 367.291 2.248 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([NH2+]CC2CC(OCC)C2)CC1 ZINC000996601472 680336553 /nfs/dbraw/zinc/33/65/53/680336553.db2.gz RYGGJALLGXGTTO-AWRGBYNESA-N 1 0 350.503 2.363 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([NH2+]C[C@H]2CC(C)(C)CO2)CC1 ZINC000996600981 680336626 /nfs/dbraw/zinc/33/66/26/680336626.db2.gz OIRFMKDUPTWGPB-KURKYZTESA-N 1 0 350.503 2.363 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC([NH2+]C[C@H]2CC(C)(C)CO2)CC1 ZINC000997082377 680346858 /nfs/dbraw/zinc/34/68/58/680346858.db2.gz AKDSUMGZGXLGQC-SQNIBIBYSA-N 1 0 350.503 2.363 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2nnc(CC)s2)C1 ZINC001026849790 680350335 /nfs/dbraw/zinc/35/03/35/680350335.db2.gz FUEKSHWERJFHCH-ZNMIVQPWSA-N 1 0 364.515 2.020 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2nnc(CC)s2)C1 ZINC001027117065 680355840 /nfs/dbraw/zinc/35/58/40/680355840.db2.gz PDSFKAWEKHPXFC-ZQIUZPCESA-N 1 0 364.515 2.020 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@H]([N@H+](C)CC2CCOCC2)C1 ZINC001027613455 680361670 /nfs/dbraw/zinc/36/16/70/680361670.db2.gz XVUSFIYXHPHDIX-QYZOEREBSA-N 1 0 350.503 2.317 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2csnc2OC)C1 ZINC000998784655 680388893 /nfs/dbraw/zinc/38/88/93/680388893.db2.gz JLTZZOGJEWOHJE-FJBKBRRZSA-N 1 0 365.499 2.212 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CCn2cc(Cl)cn2)C1 ZINC000999183734 680397635 /nfs/dbraw/zinc/39/76/35/680397635.db2.gz XCZDAWQQZSDQST-BBWFWOEESA-N 1 0 366.893 2.098 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC1C[NH+](CCc2scnc2C)C1 ZINC001032040507 680411692 /nfs/dbraw/zinc/41/16/92/680411692.db2.gz GURDFSRJHARDRH-WMZOPIPTSA-N 1 0 363.527 2.413 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)NC1(C2CC[NH+](C[C@H](C)OC)CC2)CC1 ZINC001000156799 680421997 /nfs/dbraw/zinc/42/19/97/680421997.db2.gz JAILXIYDDITLRN-JQHSSLGASA-N 1 0 350.503 2.363 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)NCc1cc(Cl)c2c(c1)OCCCO2 ZINC000836188415 680433582 /nfs/dbraw/zinc/43/35/82/680433582.db2.gz BKXVFHNZCDUTJC-UHFFFAOYSA-N 1 0 365.861 2.256 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC2CC(OCC)C2)CC1 ZINC001034741079 680439557 /nfs/dbraw/zinc/43/95/57/680439557.db2.gz SBGWYENGOUOUKX-WZHIVDDXSA-N 1 0 350.503 2.410 20 30 FEEDRO C=C(Cl)C[N@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3C[C@H]3C(=O)N(C)C)CC2)C1 ZINC001039159501 680462331 /nfs/dbraw/zinc/46/23/31/680462331.db2.gz PNZQUQWUJNGWLU-ZACQAIPSSA-N 1 0 367.921 2.024 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)N1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC000836488106 680475847 /nfs/dbraw/zinc/47/58/47/680475847.db2.gz LPVZCUZFUIEVEV-QGZVFWFLSA-N 1 0 351.397 2.003 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)N[C@H](C#C)c1ccc(Br)cc1 ZINC000836491459 680476860 /nfs/dbraw/zinc/47/68/60/680476860.db2.gz SBROPDUBJPHPHV-MRXNPFEDSA-N 1 0 362.271 2.378 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1CC[NH+](CCOC2CCC2)CC1 ZINC001001931141 680482565 /nfs/dbraw/zinc/48/25/65/680482565.db2.gz KJACXOSSKNXFNK-OALUTQOASA-N 1 0 350.503 2.365 20 30 FEEDRO C[C@@H]1CN(c2nc(C#N)c(Cl)s2)C[C@H]1NC(=O)C[N@@H+]1CCC[C@H]1C ZINC001042510470 680533505 /nfs/dbraw/zinc/53/35/05/680533505.db2.gz LFLZMVJJNAFTJU-NQBHXWOUSA-N 1 0 367.906 2.093 20 30 FEEDRO C[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1Nc1nc(C#N)c(Cl)s1 ZINC001043249957 680569126 /nfs/dbraw/zinc/56/91/26/680569126.db2.gz AINRKIOILPHBAO-NTZNESFSSA-N 1 0 367.906 2.269 20 30 FEEDRO C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1Nc1nc(Cl)c(C#N)s1 ZINC001043450151 680582480 /nfs/dbraw/zinc/58/24/80/680582480.db2.gz GHLFZPKUNPGPFX-UTUOFQBUSA-N 1 0 367.906 2.411 20 30 FEEDRO C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1Nc1ncc(C#N)cc1Cl ZINC001043585213 680589518 /nfs/dbraw/zinc/58/95/18/680589518.db2.gz QDCSIYICQKPZER-MLGOLLRUSA-N 1 0 361.877 2.350 20 30 FEEDRO C#C[C@H]1COCCN1C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000837394854 680596839 /nfs/dbraw/zinc/59/68/39/680596839.db2.gz JQMOMVGYONZMMH-SFHVURJKSA-N 1 0 361.873 2.348 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1cc(OC)ns1 ZINC001045237931 680625821 /nfs/dbraw/zinc/62/58/21/680625821.db2.gz AERDVDUSUBMGSS-QRTARXTBSA-N 1 0 365.499 2.214 20 30 FEEDRO C#CCNC(=O)C1CC[NH+](C[C@@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000759134845 680630035 /nfs/dbraw/zinc/63/00/35/680630035.db2.gz NLFHVHRYUKIYMO-MRXNPFEDSA-N 1 0 355.265 2.488 20 30 FEEDRO C=C(C)C[NH+]1CCC2(CO[C@H](CNC(=O)[C@H]3OCC[C@H]3CC)C2)CC1 ZINC001045673537 680637727 /nfs/dbraw/zinc/63/77/27/680637727.db2.gz UJFVNESMIYJIJV-SQNIBIBYSA-N 1 0 350.503 2.365 20 30 FEEDRO C=CCC[NH+]1CCC2(CO[C@H](CNC(=O)[C@H]3OCC[C@H]3CC)C2)CC1 ZINC001045672990 680637876 /nfs/dbraw/zinc/63/78/76/680637876.db2.gz MJLXJSJJLGMLPL-SQNIBIBYSA-N 1 0 350.503 2.365 20 30 FEEDRO C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H](Nc3snc(Cl)c3C#N)C2)CC[N@@H+]1C ZINC001046633543 680652127 /nfs/dbraw/zinc/65/21/27/680652127.db2.gz ZSDMZUOSPVGQGU-WISYIIOYSA-N 1 0 367.906 2.315 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1C[N@H+](CCOC)CCC1(F)F ZINC001046980289 680656077 /nfs/dbraw/zinc/65/60/77/680656077.db2.gz KVAQUSZVSSIRNW-JYJNAYRXSA-N 1 0 360.445 2.078 20 30 FEEDRO C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[C@@H](Nc2nc(C#N)c(Cl)s2)C1 ZINC001047216579 680658647 /nfs/dbraw/zinc/65/86/47/680658647.db2.gz GLZWDHYTRAFUCI-DMDPSCGWSA-N 1 0 367.906 2.459 20 30 FEEDRO C=C(Cl)C[NH+]1CCC([C@@H]2CCCN(C(=O)[C@H]3OCCO[C@H]3C)C2)CC1 ZINC001047243251 680659000 /nfs/dbraw/zinc/65/90/00/680659000.db2.gz JDMAFNRTYPQHHW-JQHSSLGASA-N 1 0 370.921 2.493 20 30 FEEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)Nc1nc(SCc2ccccc2)ns1 ZINC000841145907 680865813 /nfs/dbraw/zinc/86/58/13/680865813.db2.gz NBLIRBHJTAIIQI-NEPJUHHUSA-N 1 0 360.468 2.063 20 30 FEEDRO CCOc1cc(Br)ccc1NC(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000841149241 680866000 /nfs/dbraw/zinc/86/60/00/680866000.db2.gz DVOHJTBNTHCGKC-JOYOIKCWSA-N 1 0 353.220 2.081 20 30 FEEDRO Cc1nc2cc(Br)cc(NC(=O)N[C@@H]3C[NH2+]C[C@@H]3C#N)c2o1 ZINC000841195384 680868609 /nfs/dbraw/zinc/86/86/09/680868609.db2.gz XHSBBOADDFXBII-QPUJVOFHSA-N 1 0 364.203 2.132 20 30 FEEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)Nc1nnc(-c2cc3ccccc3o2)s1 ZINC000841208496 680869030 /nfs/dbraw/zinc/86/90/30/680869030.db2.gz JPAVHQUWBXGBEI-QWRGUYRKSA-N 1 0 354.395 2.184 20 30 FEEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)Nc1nnc(-c2cc3ccccc3o2)s1 ZINC000841208498 680869046 /nfs/dbraw/zinc/86/90/46/680869046.db2.gz JPAVHQUWBXGBEI-WDEREUQCSA-N 1 0 354.395 2.184 20 30 FEEDRO C#CCOc1ccc(Br)cc1C[NH2+][C@@H](CO)[C@H](O)CCC ZINC000842224731 680933554 /nfs/dbraw/zinc/93/35/54/680933554.db2.gz FCLFNDWXZGUGES-LSDHHAIUSA-N 1 0 356.260 2.073 20 30 FEEDRO CCCC[C@@H](ON=C(C)C)C(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000768129241 680938674 /nfs/dbraw/zinc/93/86/74/680938674.db2.gz YLKOEZGFZXTOOH-GOSISDBHSA-N 1 0 354.539 2.442 20 30 FEEDRO C#CCNC(=O)C1CC[NH+](Cc2cnn(-c3ccc(Cl)cc3)c2)CC1 ZINC000769020944 680968165 /nfs/dbraw/zinc/96/81/65/680968165.db2.gz JRBFUSQMMIHWFJ-UHFFFAOYSA-N 1 0 356.857 2.487 20 30 FEEDRO CN(CCC#N)C[C@H](O)C[NH2+]CC[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000843096920 680987658 /nfs/dbraw/zinc/98/76/58/680987658.db2.gz GDKBVHKZBOKCQJ-CJNGLKHVSA-N 1 0 360.285 2.213 20 30 FEEDRO COC(=O)C[C@@]1([NH2+]Cc2cc(Cl)ccc2OCC#N)CCCOC1 ZINC000770690819 681023882 /nfs/dbraw/zinc/02/38/82/681023882.db2.gz BQPVYEQFDVHCBY-KRWDZBQOSA-N 1 0 352.818 2.444 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CCc1ccns1 ZINC001049732658 681037973 /nfs/dbraw/zinc/03/79/73/681037973.db2.gz PJSIOHCRDCGQQS-XDNAFOTISA-N 1 0 361.511 2.342 20 30 FEEDRO C[C@@H]1[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)CCN1c1ncc(C#N)cc1Cl ZINC001050454724 681048478 /nfs/dbraw/zinc/04/84/78/681048478.db2.gz OPZPIBUVMBHYBR-IOASZLSFSA-N 1 0 361.877 2.032 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CCc1ccns1)CC2 ZINC001050672969 681053544 /nfs/dbraw/zinc/05/35/44/681053544.db2.gz VAMWPSFIFCZBTH-SJORKVTESA-N 1 0 361.511 2.201 20 30 FEEDRO C[N@H+](CCC(=O)Nc1sccc1C#N)C[C@@H](O)c1cccc(C#N)c1 ZINC000844365546 681054212 /nfs/dbraw/zinc/05/42/12/681054212.db2.gz CEARTBXMWZRGOD-MRXNPFEDSA-N 1 0 354.435 2.485 20 30 FEEDRO C[C@@H]1CC[N@H+](CC(=O)N[C@H]2CCN(c3nc(C#N)c(Cl)s3)[C@@H]2C)C1 ZINC001051014870 681059898 /nfs/dbraw/zinc/05/98/98/681059898.db2.gz FBOSJKWLQZUQHS-UTUOFQBUSA-N 1 0 367.906 2.093 20 30 FEEDRO C[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)CCN1c1nc(Cl)c(C#N)s1 ZINC001051230067 681066127 /nfs/dbraw/zinc/06/61/27/681066127.db2.gz CXXNJWOZJXUKGI-GRYCIOLGSA-N 1 0 367.906 2.236 20 30 FEEDRO N#Cc1cccc(C[NH+]2CCC(NC(=S)NCc3ccon3)CC2)c1 ZINC000844597498 681068258 /nfs/dbraw/zinc/06/82/58/681068258.db2.gz ZHGDRLLHAMVQAF-UHFFFAOYSA-N 1 0 355.467 2.175 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCO[C@@H](C[NH2+]Cc2ccsc2)C1 ZINC001051861198 681070292 /nfs/dbraw/zinc/07/02/92/681070292.db2.gz BEELVFYEQHGDMS-BZSNNMDCSA-N 1 0 364.511 2.436 20 30 FEEDRO Cc1nsc(NC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C)C[C@H]2C)c1C#N ZINC001054514447 681112235 /nfs/dbraw/zinc/11/22/35/681112235.db2.gz JNLUHYMFNCSOJN-XPKDYRNWSA-N 1 0 361.515 2.314 20 30 FEEDRO C#C[C@H](NC(=O)NCC1CC[NH+](Cc2cccs2)CC1)[C@H]1CCCO1 ZINC000773258112 681133406 /nfs/dbraw/zinc/13/34/06/681133406.db2.gz BYBZKWSVMMSCII-ZWKOTPCHSA-N 1 0 361.511 2.440 20 30 FEEDRO Cc1nsc(N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C3)c1C#N ZINC001055430063 681135126 /nfs/dbraw/zinc/13/51/26/681135126.db2.gz SHZGJUQHLJHXRU-OJLVUWQFSA-N 1 0 359.499 2.033 20 30 FEEDRO CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCN(c3snc(C)c3C#N)C2)CC[N@@H+]1C ZINC001058257943 681169649 /nfs/dbraw/zinc/16/96/49/681169649.db2.gz JLYHPTHPUDSXNV-OFQRWUPVSA-N 1 0 361.515 2.139 20 30 FEEDRO C[C@@H]1[C@H](C(=O)N[C@H]2CCCN(c3snc(Cl)c3C#N)C2)CC[N@@H+]1C ZINC001058257858 681169686 /nfs/dbraw/zinc/16/96/86/681169686.db2.gz HPFCBYPNVSXABJ-GRYCIOLGSA-N 1 0 367.906 2.093 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](Cc3cncs3)C[C@H]2CC1 ZINC000946787758 681261180 /nfs/dbraw/zinc/26/11/80/681261180.db2.gz CVEHUIJQVRROHQ-ATLSCFEFSA-N 1 0 361.511 2.405 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](Cc3ccns3)C[C@H]2CC1 ZINC000946787988 681261292 /nfs/dbraw/zinc/26/12/92/681261292.db2.gz IHAOIQLQQSUBGW-ATLSCFEFSA-N 1 0 361.511 2.405 20 30 FEEDRO C[C@H]([NH2+]CC(=O)Nc1cccc(S(C)(=O)=O)c1)c1ccc(C#N)cc1 ZINC000775160520 681279552 /nfs/dbraw/zinc/27/95/52/681279552.db2.gz GXZRDNVVEVANSF-ZDUSSCGKSA-N 1 0 357.435 2.251 20 30 FEEDRO O=C1NCCC[C@@H]1[N@@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932948682 681334241 /nfs/dbraw/zinc/33/42/41/681334241.db2.gz LVGOCKPWQUVQAA-RNJXMRFFSA-N 1 0 366.252 2.368 20 30 FEEDRO COC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]CC(=O)Nc2sccc2C#N)C1 ZINC000775809980 681337489 /nfs/dbraw/zinc/33/74/89/681337489.db2.gz ISHAVBWTUQZWFE-DGCLKSJQSA-N 1 0 350.444 2.015 20 30 FEEDRO CCC1(CC)CNC(=O)[C@@H]1[NH2+]CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000933288454 681388390 /nfs/dbraw/zinc/38/83/90/681388390.db2.gz WESQXXCJNXUFDG-INIZCTEOSA-N 1 0 362.861 2.435 20 30 FEEDRO C=CC1(CC(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)CN(C(=O)OC(C)(C)C)C1 ZINC000933492777 681420790 /nfs/dbraw/zinc/42/07/90/681420790.db2.gz VLOIVMJWJNQXTB-GJZGRUSLSA-N 1 0 351.491 2.399 20 30 FEEDRO O=C1C=COC2(CC[NH+](C[C@@H](O)COc3ccc(Cl)cc3)CC2)C1 ZINC000933654417 681446121 /nfs/dbraw/zinc/44/61/21/681446121.db2.gz WERITYZNPLTBGC-MRXNPFEDSA-N 1 0 351.830 2.417 20 30 FEEDRO C#CC[N@H+]1CCC[C@H]1COC(=O)C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000777312579 681481243 /nfs/dbraw/zinc/48/12/43/681481243.db2.gz YUANKYUFQZPXDL-CVEARBPZSA-N 1 0 350.459 2.417 20 30 FEEDRO COC(=O)[C@H]1C[N@H+](CCCCC#N)CC12CN(C(=O)OC(C)(C)C)C2 ZINC000934048923 681501451 /nfs/dbraw/zinc/50/14/51/681501451.db2.gz CBWKGRJMNOWUBH-CQSZACIVSA-N 1 0 351.447 2.022 20 30 FEEDRO N#CCCCC[C@H]([NH3+])C(=O)Nc1ccccc1C(=O)NCC(F)(F)F ZINC000848395310 681535329 /nfs/dbraw/zinc/53/53/29/681535329.db2.gz BIHVMFKVQYHPBA-LBPRGKRZSA-N 1 0 356.348 2.328 20 30 FEEDRO CN(C)S(=O)(=O)c1ccccc1N=NC1CCC[N@@H+]2CCCC[C@@H]12 ZINC000848410061 681536646 /nfs/dbraw/zinc/53/66/46/681536646.db2.gz IFHMFTBRUASDQG-INIZCTEOSA-N 1 0 350.488 2.353 20 30 FEEDRO C=C(C)C[N@@H+]1CCOC2(CCN(C(=O)[C@H]3OCC[C@H]3C(C)C)CC2)C1 ZINC000949370590 681635779 /nfs/dbraw/zinc/63/57/79/681635779.db2.gz ZVMBODLMDAKNGW-ROUUACIJSA-N 1 0 350.503 2.317 20 30 FEEDRO C[NH+]=C(NCc1ccco1)NCc1ccc(S(C)(=O)=O)c(Cl)c1 ZINC000849102827 681653659 /nfs/dbraw/zinc/65/36/59/681653659.db2.gz BBVYSUAKISTZDB-UHFFFAOYSA-N 1 0 355.847 2.202 20 30 FEEDRO CC[C@H](CNS(C)(=O)=O)[NH+]=C(Nc1ccccc1)N1CCCCC1 ZINC000849114447 681657129 /nfs/dbraw/zinc/65/71/29/681657129.db2.gz JFFSEWOXYFNIRO-OAHLLOKOSA-N 1 0 352.504 2.268 20 30 FEEDRO COc1ccc(C[C@H](CO)C[NH+]=C(N(C)C)N(C)C)cc1Br ZINC000849115554 681657450 /nfs/dbraw/zinc/65/74/50/681657450.db2.gz YLSIVPDBJUPHDB-ZDUSSCGKSA-N 1 0 372.307 2.088 20 30 FEEDRO C#CCOc1ccc(F)cc1NC(=O)N1C[C@H](SC)[C@@H]([NH+](C)C)C1 ZINC000779355098 681708237 /nfs/dbraw/zinc/70/82/37/681708237.db2.gz ZGPWYSZSBNOFDR-HOCLYGCPSA-N 1 0 351.447 2.347 20 30 FEEDRO C=C(Cl)C[C@H](NC(=O)C1CCC([NH+]2CCOCC2)CC1)C(=O)OCC ZINC000913437064 685477193 /nfs/dbraw/zinc/47/71/93/685477193.db2.gz BIVMTJMCFYOATF-GPANFISMSA-N 1 0 372.893 2.068 20 30 FEEDRO C[NH+](C)CC#CCNC(=O)C1CCN(c2nc3ccccc3s2)CC1 ZINC000913518555 685479198 /nfs/dbraw/zinc/47/91/98/685479198.db2.gz UTQALZBLTINTRD-UHFFFAOYSA-N 1 0 356.495 2.194 20 30 FEEDRO C[NH+](C)CC#CCNC(=O)CCCC(=O)c1ccc(Br)cc1 ZINC000913521722 685479226 /nfs/dbraw/zinc/47/92/26/685479226.db2.gz KPTBEUYRGWOQJM-UHFFFAOYSA-N 1 0 365.271 2.483 20 30 FEEDRO CN(C(=O)c1cccs1)c1ccccc1C(=O)NCC#CC[NH+](C)C ZINC000913516205 685479260 /nfs/dbraw/zinc/47/92/60/685479260.db2.gz GDRHHBQSZJTONR-UHFFFAOYSA-N 1 0 355.463 2.320 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(CC)C1C[NH+](CCC[C@@H]2CCOC2)C1 ZINC000953830452 681800884 /nfs/dbraw/zinc/80/08/84/681800884.db2.gz ADIKETWEMZUVNP-NEWSRXKRSA-N 1 0 350.503 2.317 20 30 FEEDRO C#CC[N@H+]1CCC[C@@H]1COC(=O)CCC(=O)N1CCc2sccc2C1 ZINC000780354125 681817689 /nfs/dbraw/zinc/81/76/89/681817689.db2.gz LPKSHRXRYDMDDY-MRXNPFEDSA-N 1 0 360.479 2.054 20 30 FEEDRO O=C(NCC[NH2+]Cc1cccc(F)c1OC(F)F)C1N=CC=CC1=O ZINC000850137587 681857903 /nfs/dbraw/zinc/85/79/03/681857903.db2.gz SMXSDCOUEVSJMW-SQFISAMPSA-N 1 0 355.316 2.043 20 30 FEEDRO C=CCc1cc(C[NH2+]CCS(=O)(=O)CC(F)(F)F)cc(OC)c1O ZINC000850364491 681891878 /nfs/dbraw/zinc/89/18/78/681891878.db2.gz IAGGSKXPHWVSNY-UHFFFAOYSA-N 1 0 367.389 2.196 20 30 FEEDRO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000850587745 681919846 /nfs/dbraw/zinc/91/98/46/681919846.db2.gz IUAUYIULVFSIFC-CYBMUJFWSA-N 1 0 371.434 2.357 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@H](C2OCCO2)C1)C(C)C ZINC000914125577 685495466 /nfs/dbraw/zinc/49/54/66/685495466.db2.gz HYARCXRWUASXFV-DLBZAZTESA-N 1 0 351.491 2.089 20 30 FEEDRO N#Cc1cc(CS(=O)(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)cs1 ZINC000914135249 685495800 /nfs/dbraw/zinc/49/58/00/685495800.db2.gz BLGDQSMLHFCIJD-HNNXBMFYSA-N 1 0 353.513 2.400 20 30 FEEDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)Cc1csc(C#N)c1 ZINC000914235556 685500143 /nfs/dbraw/zinc/50/01/43/685500143.db2.gz YKOUFLPGMWTJHV-HZSPNIEDSA-N 1 0 355.529 2.406 20 30 FEEDRO N#Cc1cc(CS(=O)(=O)N2CC[NH+](C3CCCCC3)CC2)cs1 ZINC000914259893 685501349 /nfs/dbraw/zinc/50/13/49/685501349.db2.gz DVEWVKIMEUGYBU-UHFFFAOYSA-N 1 0 353.513 2.400 20 30 FEEDRO N#Cc1cc(CS(=O)(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cs1 ZINC000914273422 685502039 /nfs/dbraw/zinc/50/20/39/685502039.db2.gz GNKKEQOOTHPGBR-WMLDXEAASA-N 1 0 365.524 2.398 20 30 FEEDRO C=C(Br)CNC(=O)N[C@@H]1C[C@]2(C[N@@H+](CC)[C@@H]2C(C)C)C[C@H]1O ZINC000914418353 685507373 /nfs/dbraw/zinc/50/73/73/685507373.db2.gz IHEANKDVRJAGMW-IXYNUQLISA-N 1 0 374.323 2.064 20 30 FEEDRO C[NH+]1CCC(N(C[C@@H](O)CC(C)(C)C)S(=O)(=O)CC(C)(C)C#N)CC1 ZINC000915221594 685513353 /nfs/dbraw/zinc/51/33/53/685513353.db2.gz RWBBGXJIVRNWIE-INIZCTEOSA-N 1 0 373.563 2.059 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CC2CCOCC2)CC1(C)C ZINC000941047113 682098369 /nfs/dbraw/zinc/09/83/69/682098369.db2.gz WGSNSUJGSJYVBY-FGTMMUONSA-N 1 0 350.503 2.221 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)NC1CC2(C1)CC([NH2+]Cc1nncs1)C2 ZINC000963816182 682147471 /nfs/dbraw/zinc/14/74/71/682147471.db2.gz SOXQQXXRNLXODR-WZRIJVRPSA-N 1 0 362.499 2.036 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)NCc2cccc(OCC(F)F)c2)CC1 ZINC000916182447 685522402 /nfs/dbraw/zinc/52/24/02/685522402.db2.gz RCAVNRYVQIMVFN-UHFFFAOYSA-N 1 0 351.397 2.227 20 30 FEEDRO C#CC[C@@H](CO)NC(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000917227636 685530615 /nfs/dbraw/zinc/53/06/15/685530615.db2.gz HBONCRGQWDDLQN-KRWDZBQOSA-N 1 0 363.889 2.235 20 30 FEEDRO C#CCOCC[NH2+][C@](C)(CC(=O)OC)c1ccc(Br)cc1 ZINC000852045687 682209307 /nfs/dbraw/zinc/20/93/07/682209307.db2.gz YNRMNEZJZKRYHL-MRXNPFEDSA-N 1 0 354.244 2.467 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)NCc2ccc(Br)cc2)CC1 ZINC000917208774 685530435 /nfs/dbraw/zinc/53/04/35/685530435.db2.gz ASSWKRKFPICDQB-UHFFFAOYSA-N 1 0 350.260 2.346 20 30 FEEDRO O=C(C#CC1CC[NH2+]CC1)NCCCc1nc(-c2ccncc2)cs1 ZINC000852864941 682351709 /nfs/dbraw/zinc/35/17/09/682351709.db2.gz NANTZEMYAIIEOX-UHFFFAOYSA-N 1 0 354.479 2.257 20 30 FEEDRO Cc1nc([C@@H](NC(=O)C#CC2CC[NH2+]CC2)c2ccc(Cl)cc2)no1 ZINC000852888374 682353733 /nfs/dbraw/zinc/35/37/33/682353733.db2.gz JRZFPQPZPPZIIW-KRWDZBQOSA-N 1 0 358.829 2.240 20 30 FEEDRO C#C[C@@H]([NH2+]C[C@H](O)COc1cccc(C(F)(F)F)c1)C1CCOCC1 ZINC000853115182 682377590 /nfs/dbraw/zinc/37/75/90/682377590.db2.gz FZWHUDHTZLDUJE-DOTOQJQBSA-N 1 0 357.372 2.463 20 30 FEEDRO C#CCN(CC(=O)OC(C)(C)C)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000853462195 682418016 /nfs/dbraw/zinc/41/80/16/682418016.db2.gz LYRYRIPZWJMDEQ-UHFFFAOYSA-N 1 0 351.491 2.236 20 30 FEEDRO COCC[N@H+]1[C@H](C)CN(c2cc(Br)cnc2C#N)C[C@@H]1C ZINC000853709413 682458781 /nfs/dbraw/zinc/45/87/81/682458781.db2.gz ZRSKAVFHWOSIJK-TXEJJXNPSA-N 1 0 353.264 2.261 20 30 FEEDRO C=CCS(=O)(=O)CC[NH2+][C@@H]1CCCCC[C@@H]1NC(=O)OC(C)(C)C ZINC000788256956 682515128 /nfs/dbraw/zinc/51/51/28/682515128.db2.gz LBYPAAYLOTYMEH-CABCVRRESA-N 1 0 360.520 2.403 20 30 FEEDRO C#CCn1ccc(CN(CC)C(=O)NC[C@@H](c2cccs2)[NH+](C)C)n1 ZINC000788380339 682526399 /nfs/dbraw/zinc/52/63/99/682526399.db2.gz GEXFPNFWEUSBOM-INIZCTEOSA-N 1 0 359.499 2.412 20 30 FEEDRO C#CCN(CC(=O)NCCC[N@H+]1CCCC[C@@H]1C)C(=O)OC(C)(C)C ZINC000854271115 682531655 /nfs/dbraw/zinc/53/16/55/682531655.db2.gz YUWMUWZIHRLASH-INIZCTEOSA-N 1 0 351.491 2.237 20 30 FEEDRO C[NH+](C)Cc1ccc(S(=O)(=O)Oc2ccc(C#N)cc2[N+](=O)[O-])cc1 ZINC000790013953 682646520 /nfs/dbraw/zinc/64/65/20/682646520.db2.gz KFKZBGLTOSAUKO-UHFFFAOYSA-N 1 0 361.379 2.296 20 30 FEEDRO C=C(C[NH+](C)C)C(=O)Nc1ccc(C)c(S(=O)(=O)N2CCCCC2)c1 ZINC000791294870 682732983 /nfs/dbraw/zinc/73/29/83/682732983.db2.gz MDJMFCIQASKXAR-UHFFFAOYSA-N 1 0 365.499 2.226 20 30 FEEDRO C=C(CO)C(=O)N(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000791373888 682738887 /nfs/dbraw/zinc/73/88/87/682738887.db2.gz JJDWEYSZASLRGO-MRXNPFEDSA-N 1 0 356.388 2.448 20 30 FEEDRO C=CCCCS(=O)(=O)N1CC[C@@H](Oc2ccnc(C[N@@H+](C)CC)c2)C1 ZINC000856544465 682792943 /nfs/dbraw/zinc/79/29/43/682792943.db2.gz OVQYGLGPHBOOFX-GOSISDBHSA-N 1 0 367.515 2.282 20 30 FEEDRO C[C@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1ccc(Br)cn1 ZINC000794808882 682997414 /nfs/dbraw/zinc/99/74/14/682997414.db2.gz CVMQKRVJCGQNND-SJHSGFPMSA-N 1 0 365.231 2.021 20 30 FEEDRO CC(C)[C@@H](C#N)N1CC[NH+](CCC2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000859210640 683057531 /nfs/dbraw/zinc/05/75/31/683057531.db2.gz MCSNULINGGEFDN-QGZVFWFLSA-N 1 0 350.507 2.409 20 30 FEEDRO N#Cc1c(F)cccc1S(=O)(=O)NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000859275728 683070916 /nfs/dbraw/zinc/07/09/16/683070916.db2.gz CEVKAOAZCZCXOU-AWEZNQCLSA-N 1 0 351.447 2.383 20 30 FEEDRO C=CCN1CC[C@H]([NH2+][C@H]2[C@@H](C)N(C(=O)OC(C)(C)C)CC[C@@H]2C)C1=O ZINC000796647059 683180934 /nfs/dbraw/zinc/18/09/34/683180934.db2.gz BMURYJUILHGUET-XUWVNRHRSA-N 1 0 351.491 2.397 20 30 FEEDRO N#CCc1cccc2c1CC[N@@H+](CCc1ccc(S(N)(=O)=O)cc1)C2 ZINC000860107227 683203901 /nfs/dbraw/zinc/20/39/01/683203901.db2.gz CNDCLVFMBJUOOZ-UHFFFAOYSA-N 1 0 355.463 2.001 20 30 FEEDRO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H](CN(C)C(=O)OC(C)(C)C)C2)C1=O ZINC000799120034 683424534 /nfs/dbraw/zinc/42/45/34/683424534.db2.gz RZDVEGCROYFKPH-HZPDHXFCSA-N 1 0 351.491 2.352 20 30 FEEDRO C=C(C[NH+](C)C)C(=O)N[C@H](C(=O)OC)c1ccccc1OC(F)(F)F ZINC000928327629 683435728 /nfs/dbraw/zinc/43/57/28/683435728.db2.gz CRXKIDVLVCYKJB-ZDUSSCGKSA-N 1 0 360.332 2.033 20 30 FEEDRO C[NH+](C)CC[C@H](NS(=O)(=O)Cc1csc(C#N)c1)c1cccnc1 ZINC000921478385 683480727 /nfs/dbraw/zinc/48/07/27/683480727.db2.gz INHWXVQAJJWMHX-INIZCTEOSA-N 1 0 364.496 2.127 20 30 FEEDRO C[NH+](C)CC[C@@H](NS(=O)(=O)c1ccc(F)cc1C#N)c1cccnc1 ZINC000921481147 683481786 /nfs/dbraw/zinc/48/17/86/683481786.db2.gz BQHXGUSMLZGMEL-MRXNPFEDSA-N 1 0 362.430 2.064 20 30 FEEDRO C[NH+](C)CC[C@H](NS(=O)(=O)c1cccc(F)c1C#N)c1cccnc1 ZINC000921481259 683481861 /nfs/dbraw/zinc/48/18/61/683481861.db2.gz FJYUIAWFQODFLD-INIZCTEOSA-N 1 0 362.430 2.064 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)[C@@H](C)Sc2ccc(NC(C)=O)cc2)CC1 ZINC000928657760 683482919 /nfs/dbraw/zinc/48/29/19/683482919.db2.gz XNVKWXQZOSVYPB-CQSZACIVSA-N 1 0 359.495 2.339 20 30 FEEDRO CC#CCS(=O)(=O)c1cccc(C(=O)NC2CC[NH+](C(C)C)CC2)c1 ZINC000929434095 683595691 /nfs/dbraw/zinc/59/56/91/683595691.db2.gz ALZNACJEFPWIIR-UHFFFAOYSA-N 1 0 362.495 2.086 20 30 FEEDRO COCCO[C@H]1COCC[C@@H]1[NH2+]Cc1cc(C#N)ccc1Br ZINC000922018495 683637487 /nfs/dbraw/zinc/63/74/87/683637487.db2.gz MYTBZNAIOAHFLP-HOTGVXAUSA-N 1 0 369.259 2.231 20 30 FEEDRO C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccccc1OC(F)F ZINC000922024337 683639733 /nfs/dbraw/zinc/63/97/33/683639733.db2.gz PJFGHPBELKJMLA-UHFFFAOYSA-N 1 0 358.410 2.006 20 30 FEEDRO C[C@](O)(C[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1)C(F)(F)C(F)(F)F ZINC000930541956 683749274 /nfs/dbraw/zinc/74/92/74/683749274.db2.gz QRPYNILNTGDVTH-AAEUAGOBSA-N 1 0 365.302 2.355 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)N1CCC[C@@H](c2nc3c(s2)CCC3)C1 ZINC000922630024 683758172 /nfs/dbraw/zinc/75/81/72/683758172.db2.gz NJZINLQSOANKNT-OAHLLOKOSA-N 1 0 360.527 2.476 20 30 FEEDRO CN(C)c1ccc(C#N)cc1C[NH2+]Cc1ccc2c(c1)CCS2(=O)=O ZINC000865490238 683989239 /nfs/dbraw/zinc/98/92/39/683989239.db2.gz PVTHWVMGOKZSLF-UHFFFAOYSA-N 1 0 355.463 2.244 20 30 FEEDRO CC(C)[N@H+](C)CC1CCN(S(=O)(=O)c2cc(F)cc(C#N)c2)CC1 ZINC000866717962 684139195 /nfs/dbraw/zinc/13/91/95/684139195.db2.gz VCXOMOJWFJTQAJ-UHFFFAOYSA-N 1 0 353.463 2.438 20 30 FEEDRO C=CCN1CCC(NS(=O)(=O)c2cc3nc(Cl)ncc3s2)CC1 ZINC000866744987 684143908 /nfs/dbraw/zinc/14/39/08/684143908.db2.gz ZIZGJKGBVZXRES-UHFFFAOYSA-N 1 0 372.903 2.273 20 30 FEEDRO C[NH+](C)CCCC1CCN(S(=O)(=O)c2cc(F)cc(C#N)c2)CC1 ZINC000867035373 684200138 /nfs/dbraw/zinc/20/01/38/684200138.db2.gz DYCYTLUTGLXRQV-UHFFFAOYSA-N 1 0 353.463 2.440 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)NC[C@H](OC2CCCC2)C(F)(F)F)CC1 ZINC000923232854 684245977 /nfs/dbraw/zinc/24/59/77/684245977.db2.gz NSIKKRADQYTHHZ-HNNXBMFYSA-N 1 0 361.408 2.273 20 30 FEEDRO N#Cc1cccc(CS(=O)(=O)N2C[C@@H](CC[NH3+])Cc3ccccc32)c1 ZINC000923745022 684345298 /nfs/dbraw/zinc/34/52/98/684345298.db2.gz KXCYRNBXUFIKEB-INIZCTEOSA-N 1 0 355.463 2.416 20 30 FEEDRO C[C@]1([C@H]2CCC[N@H+](CCC(=O)Nc3sccc3C#N)C2)COC(=O)N1 ZINC000932026545 684393808 /nfs/dbraw/zinc/39/38/08/684393808.db2.gz SPROSAQYVIFGGD-SUMWQHHRSA-N 1 0 362.455 2.159 20 30 FEEDRO C[N@@H+]1CC[C@H]2CN(S(=O)(=O)c3ccc(C(F)(F)F)c(C#N)c3)CC[C@@H]21 ZINC000867806606 684393709 /nfs/dbraw/zinc/39/37/09/684393709.db2.gz GXSUNPWZOUGVQJ-NHYWBVRUSA-N 1 0 373.400 2.292 20 30 FEEDRO C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)c3ccc(C(F)(F)F)cc3C#N)CC[C@H]21 ZINC000867813313 684397390 /nfs/dbraw/zinc/39/73/90/684397390.db2.gz UXYXSFKPDUHFGE-BXUZGUMPSA-N 1 0 373.400 2.292 20 30 FEEDRO C=C(Cl)CNC(=O)NCC[NH+]1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000924881120 684502313 /nfs/dbraw/zinc/50/23/13/684502313.db2.gz IPMPAADFTXHPGE-UHFFFAOYSA-N 1 0 360.886 2.027 20 30 FEEDRO C[C@@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1cccc(Br)n1 ZINC000925418178 684561390 /nfs/dbraw/zinc/56/13/90/684561390.db2.gz ZTZQYXIAZWQWLM-ZEIZSXSISA-N 1 0 365.231 2.021 20 30 FEEDRO N#Cc1ccc2c(c1)C[C@@H](NC(=O)c1csc(C3CC[NH2+]CC3)n1)C2 ZINC000871012262 684779838 /nfs/dbraw/zinc/77/98/38/684779838.db2.gz NFFJCCPKCVLLPW-INIZCTEOSA-N 1 0 352.463 2.379 20 30 FEEDRO Cc1ccc(S(=O)(=O)N2CCCN(c3cc[nH+]cc3)CC2)c(C#N)c1 ZINC000872511847 684969436 /nfs/dbraw/zinc/96/94/36/684969436.db2.gz WNWIBTPMAJYZBX-UHFFFAOYSA-N 1 0 356.451 2.163 20 30 FEEDRO CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCC(C)([NH+]2CCCCC2)CC1 ZINC000872529582 684972805 /nfs/dbraw/zinc/97/28/05/684972805.db2.gz JGEYOKMTBOHURZ-INIZCTEOSA-N 1 0 356.536 2.053 20 30 FEEDRO C=CCc1cc(OCC)cc(C[N@@H+]2CC[C@@H]3CS(=O)(=O)C[C@H]3C2)c1O ZINC000872793703 685016541 /nfs/dbraw/zinc/01/65/41/685016541.db2.gz CKRVTWOOHZPHSY-NVXWUHKLSA-N 1 0 365.495 2.386 20 30 FEEDRO COCCN(CC1CC[NH+](C)CC1)C(=O)c1c(F)cc(C#N)cc1F ZINC000876164555 686142511 /nfs/dbraw/zinc/14/25/11/686142511.db2.gz ONYFNHFDIGDZGV-UHFFFAOYSA-N 1 0 351.397 2.267 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)Nc1ccc(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000876613632 686228720 /nfs/dbraw/zinc/22/87/20/686228720.db2.gz GGGHKJOTKPRTOQ-IOASZLSFSA-N 1 0 365.861 2.344 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000876639355 686234748 /nfs/dbraw/zinc/23/47/48/686234748.db2.gz OKLXKTNFIDMOQX-HNNXBMFYSA-N 1 0 351.834 2.190 20 30 FEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@@H]1CCN(c2ccccc2OC(F)F)C1 ZINC000876757297 686261515 /nfs/dbraw/zinc/26/15/15/686261515.db2.gz BSJGRMDVEUBXLE-VXGBXAGGSA-N 1 0 359.804 2.453 20 30 FEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000876873669 686285321 /nfs/dbraw/zinc/28/53/21/686285321.db2.gz NOMYLEFOPRELQT-UONOGXRCSA-N 1 0 351.882 2.180 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000876893617 686289306 /nfs/dbraw/zinc/28/93/06/686289306.db2.gz GQIOSKSKDIFUAE-STQMWFEESA-N 1 0 360.216 2.171 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC2(C[C@@H]2C(=O)N2CCCCC2)CC1 ZINC000876902454 686291539 /nfs/dbraw/zinc/29/15/39/686291539.db2.gz CQKMBFUQLOTBBY-CABCVRRESA-N 1 0 353.894 2.098 20 30 FEEDRO N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)NCCOC(F)(F)C(F)(F)F ZINC000877313030 686353133 /nfs/dbraw/zinc/35/31/33/686353133.db2.gz PAERRPRXZYYXCZ-LBPRGKRZSA-N 1 0 363.286 2.033 20 30 FEEDRO CC(C)(C)OC(=O)N1CCOC[C@H]1C[NH2+]Cc1cc(C#N)cnc1Cl ZINC000877655690 686431485 /nfs/dbraw/zinc/43/14/85/686431485.db2.gz HSMHHJAKUFPQDG-CQSZACIVSA-N 1 0 366.849 2.332 20 30 FEEDRO CN(C[C@H](O)C[N@H+](C)Cc1ccc(C#N)c(F)c1)C(=O)OC(C)(C)C ZINC000879081203 686733234 /nfs/dbraw/zinc/73/32/34/686733234.db2.gz VNPIRQQKRZHGDA-OAHLLOKOSA-N 1 0 351.422 2.357 20 30 FEEDRO NC(=O)C1([NH+]2CCCCC2)CCN(CC#Cc2ccc(Cl)cc2)CC1 ZINC000880253246 687022818 /nfs/dbraw/zinc/02/28/18/687022818.db2.gz XEZRQDSXCKYSDP-UHFFFAOYSA-N 1 0 359.901 2.497 20 30 FEEDRO CO[C@@]1(C(F)(F)F)CC[N@H+](C[C@H](O)COc2ccc(CC#N)cc2)C1 ZINC000880301675 687029613 /nfs/dbraw/zinc/02/96/13/687029613.db2.gz WPYVZSAQSWVICQ-HOCLYGCPSA-N 1 0 358.360 2.146 20 30 FEEDRO C[C@@H]1CC[C@H](CO)[N@@H+]1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000880438679 687048989 /nfs/dbraw/zinc/04/89/89/687048989.db2.gz RUCUBWMPTNCLNG-CZUORRHYSA-N 1 0 354.372 2.018 20 30 FEEDRO C[N@@H+]1CC[C@]2(CCN(C(=O)Nc3ccc(Br)c(C#N)n3)C2)C1 ZINC000883111316 687567401 /nfs/dbraw/zinc/56/74/01/687567401.db2.gz ZPBXTLIATWQJSS-HNNXBMFYSA-N 1 0 364.247 2.275 20 30 FEEDRO CCCCCCCNC(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC000883420434 687627403 /nfs/dbraw/zinc/62/74/03/687627403.db2.gz LACYBTCQIAHXSK-UHFFFAOYSA-N 1 0 352.523 2.472 20 30 FEEDRO C[NH2+]C[C@H]1CCCCN1S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000883474320 687641163 /nfs/dbraw/zinc/64/11/63/687641163.db2.gz KGYJRRZZNJLTHZ-GFCCVEGCSA-N 1 0 361.389 2.340 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2CC[NH2+]CCC23CCC3)cc1C(F)(F)F ZINC000883478552 687643333 /nfs/dbraw/zinc/64/33/33/687643333.db2.gz NPDMELCIAYVBLO-UHFFFAOYSA-N 1 0 373.400 2.484 20 30 FEEDRO C=CCCC[C@@H](C)NC(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC000883554820 687666412 /nfs/dbraw/zinc/66/64/12/687666412.db2.gz GLHKQYNDNUWUSG-MRXNPFEDSA-N 1 0 350.507 2.247 20 30 FEEDRO C=C(C)C[C@@H](CO)NC(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000883662852 687695930 /nfs/dbraw/zinc/69/59/30/687695930.db2.gz WMUPJVVBDDXRIH-SLTAFYQDSA-N 1 0 363.424 2.418 20 30 FEEDRO N#C[C@@H]1C[NH2+]CC12CC(C(=O)NCCc1ccc(Br)s1)C2 ZINC000884064463 687782523 /nfs/dbraw/zinc/78/25/23/687782523.db2.gz IYCBFPAIJIAFHX-LOIXOFCESA-N 1 0 368.300 2.309 20 30 FEEDRO N#C[C@@H]1C[NH2+]CC12CC(C(=O)NCc1ccc(Br)s1)C2 ZINC000884088378 687786093 /nfs/dbraw/zinc/78/60/93/687786093.db2.gz ICYKDACTRVPNCG-OPASDULOSA-N 1 0 354.273 2.266 20 30 FEEDRO COCC[NH+]1CCC(NC(=O)NCc2ccc(SC)c(C#N)c2)CC1 ZINC000884201745 687816214 /nfs/dbraw/zinc/81/62/14/687816214.db2.gz GNYLVWVMPGFMQW-UHFFFAOYSA-N 1 0 362.499 2.190 20 30 FEEDRO Cc1cc(C)c(CC(=O)N[C@H]2C[NH2+]C[C@H]2C#N)c(C)c1Br ZINC000884249958 687829332 /nfs/dbraw/zinc/82/93/32/687829332.db2.gz UXDQEIXNAFWWOV-OCCSQVGLSA-N 1 0 350.260 2.145 20 30 FEEDRO CC(C)(Cc1ccc(Br)cc1)C(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000884251276 687829433 /nfs/dbraw/zinc/82/94/33/687829433.db2.gz ZUYGGZFWBRSTDU-OCCSQVGLSA-N 1 0 350.260 2.246 20 30 FEEDRO N#C[C@@H]1C[NH2+]CC12CC(C(=O)NCC[C@H]1CSc3ccccc3O1)C2 ZINC000884373855 687857616 /nfs/dbraw/zinc/85/76/16/687857616.db2.gz YBSWMLOWFYXDBN-QXGUJMOYSA-N 1 0 357.479 2.185 20 30 FEEDRO C=C(Cl)C[C@@H](NC(=O)[C@@H]([NH3+])Cc1cc2ccccc2o1)C(=O)OCC ZINC000884453254 687873927 /nfs/dbraw/zinc/87/39/27/687873927.db2.gz JWNGKJIPUTXDMI-LSDHHAIUSA-N 1 0 364.829 2.493 20 30 FEEDRO Cc1cccc(C#N)c1S(=O)(=O)N1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000885848445 688168311 /nfs/dbraw/zinc/16/83/11/688168311.db2.gz UTKCQEGHEKSMKC-HNNXBMFYSA-N 1 0 356.451 2.161 20 30 FEEDRO N#CC1(C[C@H](O)C[NH+]2CCN(c3ncnc4ccsc43)CC2)CCC1 ZINC000886019561 688194856 /nfs/dbraw/zinc/19/48/56/688194856.db2.gz WWGMXLWXXKWOJX-AWEZNQCLSA-N 1 0 357.483 2.258 20 30 FEEDRO C#CC[N@@H+](CCC1OCCCO1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000886427617 688254555 /nfs/dbraw/zinc/25/45/55/688254555.db2.gz QXENABHKZZXAAT-UHFFFAOYSA-N 1 0 352.475 2.474 20 30 FEEDRO C#CCN(C(=O)[C@@H](O)c1cccc(C(F)(F)F)c1)C1CC[NH+](C)CC1 ZINC000886576125 688278764 /nfs/dbraw/zinc/27/87/64/688278764.db2.gz XXEJKDVQQCKNER-INIZCTEOSA-N 1 0 354.372 2.295 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2CCCC[C@]3(CC[NH2+]C3)C2)cc1Cl ZINC000886899556 688336535 /nfs/dbraw/zinc/33/65/35/688336535.db2.gz OFPVXNUCVGMDCU-MRXNPFEDSA-N 1 0 353.875 2.366 20 30 FEEDRO CCN(C(=O)C(=O)Nc1ccccc1S[C@@H](C)CC#N)[C@@H]1CC[NH2+]C1 ZINC000886997238 688352607 /nfs/dbraw/zinc/35/26/07/688352607.db2.gz JOQWQNUJLYHZAQ-UONOGXRCSA-N 1 0 360.483 2.230 20 30 FEEDRO C#CCC1([NH2+]CCCOc2ccc(S(C)(=O)=O)cc2)CCOCC1 ZINC000887124505 688369854 /nfs/dbraw/zinc/36/98/54/688369854.db2.gz HKOHPCSKXRHRDJ-UHFFFAOYSA-N 1 0 351.468 2.021 20 30 FEEDRO Cc1c(C(=O)NC[C@@H](C)N2CCc3sccc3C2)cnn1CCC#N ZINC000888118531 688548159 /nfs/dbraw/zinc/54/81/59/688548159.db2.gz XVYPXGRKXLSHCM-CYBMUJFWSA-N 1 0 357.483 2.343 20 30 FEEDRO C[NH+](C)[C@@H](CNC(=O)N1CCO[C@](C)(C#N)C1)c1ccc(Cl)cc1 ZINC000893382169 689339895 /nfs/dbraw/zinc/33/98/95/689339895.db2.gz NVTUDNJSTCANAM-DOTOQJQBSA-N 1 0 350.850 2.267 20 30 FEEDRO C#C[C@@H]([NH2+]C1CCN(CC(=O)OC)CC1)c1ccc(Br)cc1 ZINC000894872188 689612211 /nfs/dbraw/zinc/61/22/11/689612211.db2.gz ZJXAKYYZRHYEJM-MRXNPFEDSA-N 1 0 365.271 2.350 20 30 FEEDRO Cn1ncc(I)c1C[NH2+]CCc1ccc(C#N)cc1 ZINC000895227394 689680491 /nfs/dbraw/zinc/68/04/91/689680491.db2.gz AFRGUWAUAPKEHA-UHFFFAOYSA-N 1 0 366.206 2.229 20 30 FEEDRO CCO/C=C\[C@](O)(C[NH2+]Cc1cnc2ccc(C#N)cn12)C(F)(F)F ZINC000895708973 689758107 /nfs/dbraw/zinc/75/81/07/689758107.db2.gz WUTLAVCDPQVRMX-YVACAVLKSA-N 1 0 354.332 2.139 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)C[C@@H]1CCC2(CCOCC2)CO1 ZINC000896889495 689944419 /nfs/dbraw/zinc/94/44/19/689944419.db2.gz AQBRCIBTKRZEMU-KRWDZBQOSA-N 1 0 351.491 2.046 20 30 FEEDRO N#Cc1csc(CNC(=O)N2CCC[N@H+](Cc3ccccc3)CC2)n1 ZINC000897302804 690002609 /nfs/dbraw/zinc/00/26/09/690002609.db2.gz XMZIIDBFLQULPB-UHFFFAOYSA-N 1 0 355.467 2.432 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCc3ccsc3[C@H]2C)CC1 ZINC000897674808 690061218 /nfs/dbraw/zinc/06/12/18/690061218.db2.gz ITZGPCAMCIWFHH-CQSZACIVSA-N 1 0 361.511 2.351 20 30 FEEDRO C[NH+]1CCC(CNC(=S)N2CCO[C@H](c3ccc(C#N)cc3)C2)CC1 ZINC000899635243 690394722 /nfs/dbraw/zinc/39/47/22/690394722.db2.gz HZJRBGFFPLPCLF-SFHVURJKSA-N 1 0 358.511 2.148 20 30 FEEDRO C=C(Cl)C[C@H]1NC(=O)N(C[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)C1=O ZINC000900184384 690481139 /nfs/dbraw/zinc/48/11/39/690481139.db2.gz BIMSEXDAZSLIST-HZPDHXFCSA-N 1 0 364.877 2.418 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)NC[C@H](O)COc1cccc(Cl)c1Cl ZINC000901069016 690608329 /nfs/dbraw/zinc/60/83/29/690608329.db2.gz KEVBVKPTZGRIMT-LBPRGKRZSA-N 1 0 361.269 2.357 20 30 FEEDRO C=CCNc1ncc(C(=O)N2CC[C@H](OCC[NH+]3CCCC3)C2)s1 ZINC000901079504 690610737 /nfs/dbraw/zinc/61/07/37/690610737.db2.gz WOUHMTXYKFTQOT-AWEZNQCLSA-N 1 0 350.488 2.068 20 30 FEEDRO C=C(C)C[C@H](CO)[NH2+][C@@H]1C[C@H](NC(=O)OC(C)(C)C)C12CCOCC2 ZINC000903222211 690868314 /nfs/dbraw/zinc/86/83/14/690868314.db2.gz YLNDVAQUJDEWJW-OAGGEKHMSA-N 1 0 354.491 2.366 20 30 FEEDRO C[C@H]([NH2+]C[C@H]1CCCC[C@@H]1NS(C)(=O)=O)c1ccc(C#N)c(F)c1 ZINC000903235896 690873983 /nfs/dbraw/zinc/87/39/83/690873983.db2.gz XHQNWCMOELXXNB-MJEQTWJJSA-N 1 0 353.463 2.456 20 30 FEEDRO CC[C@H]1CN(S(=O)(=O)c2ccc(Br)c(C#N)c2)CC[C@@H]1[NH3+] ZINC000903495068 690901038 /nfs/dbraw/zinc/90/10/38/690901038.db2.gz RDFTVFLCIPLHET-HZMBPMFUSA-N 1 0 372.288 2.069 20 30 FEEDRO Cc1cc(C#N)cc(C)c1CS(=O)(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000903513506 690906034 /nfs/dbraw/zinc/90/60/34/690906034.db2.gz BMQWHNYEDSWMOK-MJGOQNOKSA-N 1 0 361.511 2.469 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2CCC[C@H]3CC[C@@]32C[NH3+])cc1C(F)(F)F ZINC000903536807 690915607 /nfs/dbraw/zinc/91/56/07/690915607.db2.gz JBHJJCOPLKTOBQ-SWLSCSKDSA-N 1 0 373.400 2.469 20 30 FEEDRO N#Cc1cc(S(=O)(=O)N2CCC[C@@]23CC[NH2+]C3)ccc1C(F)(F)F ZINC000903592432 690934685 /nfs/dbraw/zinc/93/46/85/690934685.db2.gz FAWXNYTYKVJUPH-AWEZNQCLSA-N 1 0 359.373 2.094 20 30 FEEDRO COCC[C@H]1C[NH2+]CCN1C(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000904333281 691020634 /nfs/dbraw/zinc/02/06/34/691020634.db2.gz WQADLBXINSWLKP-LBPRGKRZSA-N 1 0 354.357 2.002 20 30 FEEDRO C#Cc1ccc(S(=O)(=O)N[C@@H]2CC[N@@H+](CCCOCC)C[C@H]2C)cc1 ZINC000906948059 691351714 /nfs/dbraw/zinc/35/17/14/691351714.db2.gz RBVQHSKVZONUGU-VQIMIIECSA-N 1 0 364.511 2.083 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)N[C@@H](CO)c1ccc(Br)c(F)c1 ZINC000908360353 691666835 /nfs/dbraw/zinc/66/68/35/691666835.db2.gz BWCYFOSNOUWJEP-AWEZNQCLSA-N 1 0 359.239 2.246 20 30 FEEDRO CC(C)C[NH+]1CCN(c2nccnc2[C@H](C#N)C(=O)OC(C)(C)C)CC1 ZINC001164657191 719339165 /nfs/dbraw/zinc/33/91/65/719339165.db2.gz AYZHVNVFJDGXLR-HNNXBMFYSA-N 1 0 359.474 2.203 20 30 FEEDRO C[N@@H+]1CCO[C@H]2CN(c3cc(F)c(C#N)cc3-c3ccnc(Cl)n3)C[C@@H]21 ZINC001164668054 719396856 /nfs/dbraw/zinc/39/68/56/719396856.db2.gz PTBRLYDUCJUUOZ-IRXDYDNUSA-N 1 0 373.819 2.327 20 30 FEEDRO C[N@@H+]1CCO[C@H]2CN(c3cnc(Cl)nc3Oc3ccc(C#N)cc3)C[C@@H]21 ZINC001164668960 719483030 /nfs/dbraw/zinc/48/30/30/719483030.db2.gz RUBVNNYFOPXPDX-HOTGVXAUSA-N 1 0 371.828 2.313 20 30 FEEDRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2nccc(F)c2C#N)CC1 ZINC001164826293 720325064 /nfs/dbraw/zinc/32/50/64/720325064.db2.gz GEDBXSRFSDOQTP-QZTJIDSGSA-N 1 0 371.460 2.004 20 30 FEEDRO N#Cc1cc([N+](=O)[O-])cnc1N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164726915 720370704 /nfs/dbraw/zinc/37/07/04/720370704.db2.gz PVTQOICXPLIRCG-IRXDYDNUSA-N 1 0 350.382 2.110 20 30 FEEDRO N#Cc1cc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)nc2ccccc12 ZINC001164746444 720760828 /nfs/dbraw/zinc/76/08/28/720760828.db2.gz YECNTQCOEOQBAD-SJORKVTESA-N 1 0 372.432 2.238 20 30 FEEDRO N#Cc1cnc(Cl)cc1N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164870888 721052821 /nfs/dbraw/zinc/05/28/21/721052821.db2.gz WZQQWQAZUBVRGX-SJORKVTESA-N 1 0 369.856 2.481 20 30 FEEDRO N#Cc1cc(Cl)cc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164865716 721076953 /nfs/dbraw/zinc/07/69/53/721076953.db2.gz OUXJGDNWONJHOG-ROUUACIJSA-N 1 0 369.856 2.481 20 30 FEEDRO Cc1cnc(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)c(C#N)c1 ZINC001164887193 721386800 /nfs/dbraw/zinc/38/68/00/721386800.db2.gz HHGRTRHEPGNZPW-PZJWPPBQSA-N 1 0 369.513 2.027 20 30 FEEDRO COc1ccnc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c1C#N ZINC001164902678 721527068 /nfs/dbraw/zinc/52/70/68/721527068.db2.gz AYTRJPIUEHYCPQ-RDJZCZTQSA-N 1 0 368.412 2.443 20 30 FEEDRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2C(F)(F)c1ccnc(Cl)c1C#N ZINC001164928564 721851299 /nfs/dbraw/zinc/85/12/99/721851299.db2.gz OLOPKZZCCDPZAA-LSDHHAIUSA-N 1 0 369.847 2.366 20 30 FEEDRO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2c1nc(C#N)c(Cl)cc1Cl ZINC001164929374 721886724 /nfs/dbraw/zinc/88/67/24/721886724.db2.gz BFUMQEIVKXFVNZ-HUUCEWRRSA-N 1 0 354.285 2.475 20 30 FEEDRO Cc1cc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)ncc1C#N ZINC001164981559 722111102 /nfs/dbraw/zinc/11/11/02/722111102.db2.gz UNSHLMWLUDIQAT-AZUAARDMSA-N 1 0 363.465 2.384 20 30 FEEDRO N#Cc1ccnc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c1F ZINC001164980434 722117635 /nfs/dbraw/zinc/11/76/35/722117635.db2.gz RECRPXRDMSGRFC-ROUUACIJSA-N 1 0 367.428 2.215 20 30 FEEDRO N#Cc1c(F)cccc1-n1ccc(NC(=O)N2CC[NH+](CC3CC3)CC2)n1 ZINC000513088083 538985560 /nfs/dbraw/zinc/98/55/60/538985560.db2.gz IFDKCLKJGHDFMT-UHFFFAOYSA-N 1 0 368.416 2.443 20 30 FEEDRO C[C@H](C[NH2+]C[C@H](O)CN(C)CCC#N)Oc1cccc(Br)c1 ZINC000567684739 675312289 /nfs/dbraw/zinc/31/22/89/675312289.db2.gz OITRZYNIQQDJSN-HIFRSBDPSA-N 1 0 370.291 2.012 20 30 FEEDRO Cc1nc(C#N)c(N2CCN(C(=O)C[NH+](CC(C)C)CC(C)C)CC2)o1 ZINC000029838788 539866192 /nfs/dbraw/zinc/86/61/92/539866192.db2.gz KBSGSCAHRSMOAD-UHFFFAOYSA-N 1 0 361.490 2.117 20 30 FEEDRO Cc1ncc(CO)c(/C=N/C[C@@H](C)[NH+]2CCN(c3ccccc3)CC2)c1O ZINC000031643265 539914252 /nfs/dbraw/zinc/91/42/52/539914252.db2.gz MDSINNHGVGHODJ-CAUNFOBBSA-N 1 0 368.481 2.218 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(NC(N)=O)cc1 ZINC000042715233 540074663 /nfs/dbraw/zinc/07/46/63/540074663.db2.gz JIGFQJQRBCXEOA-UHFFFAOYSA-N 1 0 365.437 2.253 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cccc(NC(N)=O)c1 ZINC000042715231 540074757 /nfs/dbraw/zinc/07/47/57/540074757.db2.gz DBXZJIJLAXALOS-UHFFFAOYSA-N 1 0 365.437 2.253 20 30 FEEDRO COc1cc(/C=C/C(=O)N2CC[NH+](CC(C)C)CC2)ccc1OCC#N ZINC000043008283 540086036 /nfs/dbraw/zinc/08/60/36/540086036.db2.gz UCSFAACWKYVWHH-FNORWQNLSA-N 1 0 357.454 2.411 20 30 FEEDRO C=CCOc1ccc(C(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1OC ZINC000047434105 540310146 /nfs/dbraw/zinc/31/01/46/540310146.db2.gz GACGSDVUKNUZAA-IYBDPMFKSA-N 1 0 362.470 2.489 20 30 FEEDRO CCc1ccc([C@H](CNC(=O)C(=O)Nc2cccc(C#N)c2)[NH+](C)C)cc1 ZINC000048846376 540374871 /nfs/dbraw/zinc/37/48/71/540374871.db2.gz NKPWURHAVGBJPZ-IBGZPJMESA-N 1 0 364.449 2.478 20 30 FEEDRO C[C@@H](CNC(=O)N1CCN(c2ccc(C#N)cn2)CC1)[N@@H+]1CCCC[C@H]1C ZINC000050112094 540400257 /nfs/dbraw/zinc/40/02/57/540400257.db2.gz GXZNYTIURGSWGM-SJORKVTESA-N 1 0 370.501 2.048 20 30 FEEDRO CC[NH+](CC)[C@@H](CNC(=O)C(=O)Nc1cc(C#N)ccc1OC)CC(C)C ZINC000050150737 540401294 /nfs/dbraw/zinc/40/12/94/540401294.db2.gz OCWOUVNXKSWLEJ-MRXNPFEDSA-N 1 0 374.485 2.378 20 30 FEEDRO CC[N@@H+]1CCC[C@@H](NC(=O)N2CCCN(c3ccccc3C#N)CC2)C1 ZINC000052594181 540476355 /nfs/dbraw/zinc/47/63/55/540476355.db2.gz SIJFJMDEPBAFIE-GOSISDBHSA-N 1 0 355.486 2.264 20 30 FEEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000054851221 540614880 /nfs/dbraw/zinc/61/48/80/540614880.db2.gz GTWDOGQXHHZFMH-OAHLLOKOSA-N 1 0 372.469 2.132 20 30 FEEDRO CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@H](C)C1CCN(CC(F)(F)F)CC1 ZINC000550660201 674104526 /nfs/dbraw/zinc/10/45/26/674104526.db2.gz JVSHGCPHBAVVAA-CZUORRHYSA-N 1 0 362.440 2.293 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)NC1CCC(C(=O)NC)CC1)C(C)C ZINC000063406589 541166746 /nfs/dbraw/zinc/16/67/46/541166746.db2.gz DEEZYHCERVBGAD-DAWZGUTISA-N 1 0 364.534 2.289 20 30 FEEDRO N#Cc1ccnc(N2CC[NH+](CCCOc3ccc4c(c3)OCO4)CC2)c1 ZINC000066376214 541310224 /nfs/dbraw/zinc/31/02/24/541310224.db2.gz FVJMNDYBAQYXJE-UHFFFAOYSA-N 1 0 366.421 2.273 20 30 FEEDRO C=C(C)CN(CC)C(=O)CN1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000066534193 541333671 /nfs/dbraw/zinc/33/36/71/541333671.db2.gz DJMWPRUOLBVEJW-UHFFFAOYSA-N 1 0 372.557 2.161 20 30 FEEDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)CCC(=O)N(CCC#N)c1ccccc1 ZINC000066619804 541348254 /nfs/dbraw/zinc/34/82/54/541348254.db2.gz WAGJQHGRNDWREN-GOSISDBHSA-N 1 0 356.470 2.314 20 30 FEEDRO CC(C)(C)OC(=O)NCC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000067141669 541423275 /nfs/dbraw/zinc/42/32/75/541423275.db2.gz XFRFMHUSSUXDKX-UHFFFAOYSA-N 1 0 372.469 2.117 20 30 FEEDRO CCOc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000067345062 541447080 /nfs/dbraw/zinc/44/70/80/541447080.db2.gz UNLCNXZCOITINF-LSDHHAIUSA-N 1 0 372.469 2.275 20 30 FEEDRO CC(C)C[C@@H](C[NH+](C)C)NC(=O)NC1CCN(c2ccc(C#N)cn2)CC1 ZINC000067391067 541454123 /nfs/dbraw/zinc/45/41/23/541454123.db2.gz TUJMCRBLZSOKIM-SFHVURJKSA-N 1 0 372.517 2.198 20 30 FEEDRO CC[NH+](CC)[C@@H](CNC(=O)C(=O)Nc1cccc(C#N)c1)c1ccco1 ZINC000067764435 541510225 /nfs/dbraw/zinc/51/02/25/541510225.db2.gz NUCNMWOUAQNHAD-INIZCTEOSA-N 1 0 354.410 2.289 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)C[C@@H]1Sc2ccccc2NC1=O ZINC000068239657 541567152 /nfs/dbraw/zinc/56/71/52/541567152.db2.gz KKKMDUFNVROMOD-INIZCTEOSA-N 1 0 360.483 2.183 20 30 FEEDRO C[C@@H](OC[C@@H]1CCCCO1)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000069354570 541680531 /nfs/dbraw/zinc/68/05/31/541680531.db2.gz CMIOLGWCTRMLGU-XLIONFOSSA-N 1 0 373.497 2.423 20 30 FEEDRO CC[N@@H+]1CCC[C@@H](NC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)C1 ZINC000069412445 541685140 /nfs/dbraw/zinc/68/51/40/541685140.db2.gz UCQSTGSSFSKEQO-IAGOWNOFSA-N 1 0 373.476 2.450 20 30 FEEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[N@@H+](C(C)C)CC1 ZINC000069988383 541729710 /nfs/dbraw/zinc/72/97/10/541729710.db2.gz KKIVMCDEPCUJFW-UHFFFAOYSA-N 1 0 372.469 2.227 20 30 FEEDRO CC1CC[NH+](CCNC(=O)C(=O)Nc2cccc(OCCCC#N)c2)CC1 ZINC000071007950 541757259 /nfs/dbraw/zinc/75/72/59/541757259.db2.gz SMVATGWVJFJBSQ-UHFFFAOYSA-N 1 0 372.469 2.156 20 30 FEEDRO C=CCc1ccccc1OC[C@@H](O)C[NH+]1CCC(C(=O)NCCC)CC1 ZINC000073800534 542001131 /nfs/dbraw/zinc/00/11/31/542001131.db2.gz BHCSIRJUVKQUOX-IBGZPJMESA-N 1 0 360.498 2.393 20 30 FEEDRO N#CCc1ccc(OC[C@H](O)C[N@@H+]2CCCN(CC(F)(F)F)CC2)cc1 ZINC000076198728 542242434 /nfs/dbraw/zinc/24/24/34/542242434.db2.gz OQOBWOHHBWHOPK-MRXNPFEDSA-N 1 0 371.403 2.062 20 30 FEEDRO N#Cc1cc(NC(=O)C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)ccc1F ZINC000076639449 542303189 /nfs/dbraw/zinc/30/31/89/542303189.db2.gz SJDILEJNCAKXFP-INIZCTEOSA-N 1 0 358.417 2.017 20 30 FEEDRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)Nc2ccc(F)c(C#N)c2)C1 ZINC000077541617 542395124 /nfs/dbraw/zinc/39/51/24/542395124.db2.gz PZAPNWIROFZHKB-ZDUSSCGKSA-N 1 0 360.433 2.263 20 30 FEEDRO N#Cc1ccccc1NC(=O)CC[N@@H+]1CCCN(c2ncccc2C#N)CC1 ZINC000064633143 221148491 /nfs/dbraw/zinc/14/84/91/221148491.db2.gz NDVAKZSHVLOFNV-UHFFFAOYSA-N 1 0 374.448 2.366 20 30 FEEDRO CCN1CC[C@@H]([NH2+]CC(=O)NCCC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000801958068 674157035 /nfs/dbraw/zinc/15/70/35/674157035.db2.gz WHKZKHLNJNCJLN-WBVHZDCISA-N 1 0 352.841 2.234 20 30 FEEDRO C=CCOc1ccc(C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)cc1 ZINC000079815834 542543158 /nfs/dbraw/zinc/54/31/58/542543158.db2.gz JXYFHSQJKWLZNE-UHFFFAOYSA-N 1 0 366.465 2.328 20 30 FEEDRO C=CCN(CC=C)C(=O)C[NH+]1CCC(C(=O)NCc2ccc(F)cc2)CC1 ZINC000080027154 542559298 /nfs/dbraw/zinc/55/92/98/542559298.db2.gz WFZOCHSFAZMBFS-UHFFFAOYSA-N 1 0 373.472 2.355 20 30 FEEDRO NC(=O)[C@H]1CCC[N@H+](Cc2ccc(NC(=O)C#Cc3ccccc3)cc2)C1 ZINC000080612434 542598122 /nfs/dbraw/zinc/59/81/22/542598122.db2.gz CYTXXUCLENMEAZ-IBGZPJMESA-N 1 0 361.445 2.374 20 30 FEEDRO C=CCc1ccc(OCC(=O)N2CC[NH+](C3CCOCC3)CC2)c(OC)c1 ZINC000081031970 542625707 /nfs/dbraw/zinc/62/57/07/542625707.db2.gz JWGVCMSSUAJMCE-UHFFFAOYSA-N 1 0 374.481 2.126 20 30 FEEDRO CC[NH+]1CCN(CC(=O)N[C@H](C#N)c2ccc(Cl)c(Cl)c2)CC1 ZINC000081370500 542651920 /nfs/dbraw/zinc/65/19/20/542651920.db2.gz LAFBEVJGLYZTBG-OAHLLOKOSA-N 1 0 355.269 2.312 20 30 FEEDRO CNC(=O)[C@H](C)C[N@H+](C)CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1 ZINC000081576427 542666064 /nfs/dbraw/zinc/66/60/64/542666064.db2.gz XWVYVKLXDMEMSP-CQSZACIVSA-N 1 0 364.877 2.209 20 30 FEEDRO CN(CC[NH+]1CCCC1)S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000083537873 542698326 /nfs/dbraw/zinc/69/83/26/542698326.db2.gz KNRDICRECZVSDU-UHFFFAOYSA-N 1 0 361.389 2.293 20 30 FEEDRO CN(Cc1ccccc1)C(=O)CNC(=[NH2+])N[C@H]1CCOc2ccccc21 ZINC000083031665 542690207 /nfs/dbraw/zinc/69/02/07/542690207.db2.gz VBRKIWRAVDLWNV-KRWDZBQOSA-N 1 0 352.438 2.073 20 30 FEEDRO Cc1cc(NC(=O)N(CCC#N)CCC[NH+](C)C)ccc1C(=O)N(C)C ZINC000086298857 542735579 /nfs/dbraw/zinc/73/55/79/542735579.db2.gz PVOVEADPDSDDMF-UHFFFAOYSA-N 1 0 359.474 2.396 20 30 FEEDRO CCN(C[C@H](C)C#N)C(=O)CNc1ccccc1C[NH+]1CCC(CO)CC1 ZINC000088532745 542753021 /nfs/dbraw/zinc/75/30/21/542753021.db2.gz PAOQQBCBGITLMH-QGZVFWFLSA-N 1 0 372.513 2.311 20 30 FEEDRO CCSCC[C@H](C)[N@H+](C)CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1 ZINC000091623539 542816834 /nfs/dbraw/zinc/81/68/34/542816834.db2.gz MYCPPHBSHOYCAQ-IRXDYDNUSA-N 1 0 354.564 2.142 20 30 FEEDRO CC[N@H+](CCNC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1)C1CC1 ZINC000092222422 542849473 /nfs/dbraw/zinc/84/94/73/542849473.db2.gz SMNNWZYKLWAOCA-UHFFFAOYSA-N 1 0 371.485 2.427 20 30 FEEDRO COc1cc(/C=C/C(=O)N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)ccc1OCC#N ZINC000247423270 549332893 /nfs/dbraw/zinc/33/28/93/549332893.db2.gz OCYIDDPWPNRGEI-UTDDRVLSSA-N 1 0 357.454 2.409 20 30 FEEDRO C#CCOc1ccc(C[NH+]2CCC(CC(=O)N3CCN(C)CC3)CC2)cc1 ZINC000093142751 542913026 /nfs/dbraw/zinc/91/30/26/542913026.db2.gz SYVIQBWVGSJUGT-UHFFFAOYSA-N 1 0 369.509 2.075 20 30 FEEDRO C#CCOc1ccccc1C[NH+]1CCC(CC(=O)N2CCN(C)CC2)CC1 ZINC000093142820 542913296 /nfs/dbraw/zinc/91/32/96/542913296.db2.gz NHYOGRVOKJRSGM-UHFFFAOYSA-N 1 0 369.509 2.075 20 30 FEEDRO C[C@@H](CNC(=O)N1CCN(c2ccc(C#N)cc2F)CC1)C[NH+]1CCCC1 ZINC000101796501 543046226 /nfs/dbraw/zinc/04/62/26/543046226.db2.gz PZQHATSJENZLNU-INIZCTEOSA-N 1 0 373.476 2.261 20 30 FEEDRO CC1CC[NH+](CCCCNS(=O)(=O)c2ccc(F)c(C#N)c2)CC1 ZINC000103155068 543095588 /nfs/dbraw/zinc/09/55/88/543095588.db2.gz PDOFNSYXGXPWJN-UHFFFAOYSA-N 1 0 353.463 2.488 20 30 FEEDRO C[C@@H]1CN(C[C@@H]2CCC[N@@H+]2CCC(=O)Nc2ccccc2C#N)C[C@@H](C)O1 ZINC000103470118 543109273 /nfs/dbraw/zinc/10/92/73/543109273.db2.gz GGKMXPJMHGUNHI-LMMKCTJWSA-N 1 0 370.497 2.460 20 30 FEEDRO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000104074977 543122238 /nfs/dbraw/zinc/12/22/38/543122238.db2.gz UPLRABOLOGAYLU-VXGBXAGGSA-N 1 0 360.483 2.023 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)CNC(=O)CCc2ccc(C)cc2)CC1 ZINC000106035203 543186311 /nfs/dbraw/zinc/18/63/11/543186311.db2.gz PYOQPWJHMARHNP-UHFFFAOYSA-N 1 0 357.498 2.201 20 30 FEEDRO N#Cc1ccccc1OCC[N@@H+]1CCCN(Cc2noc(C3CC3)n2)CC1 ZINC000106149794 543208323 /nfs/dbraw/zinc/20/83/23/543208323.db2.gz KMKOJKZFRQVRRH-UHFFFAOYSA-N 1 0 367.453 2.405 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)NC2CC[NH+](Cc3ccccn3)CC2)CC1 ZINC000106261145 543220986 /nfs/dbraw/zinc/22/09/86/543220986.db2.gz QYPYCJZRCMWWOG-UHFFFAOYSA-N 1 0 371.529 2.386 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cc(C(=O)NC)ccc2OC)CC1 ZINC000106320940 543222736 /nfs/dbraw/zinc/22/27/36/543222736.db2.gz VWDLRVVCXMPMOZ-UHFFFAOYSA-N 1 0 360.458 2.217 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@@H](CNC(=O)C(C)C)C2)CC1 ZINC000106340892 543224775 /nfs/dbraw/zinc/22/47/75/543224775.db2.gz BRYUSVWTHFUBSI-KRWDZBQOSA-N 1 0 364.534 2.221 20 30 FEEDRO C[C@H](O)[C@@H]1CCCC[N@@H+]1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000106863796 543250491 /nfs/dbraw/zinc/25/04/91/543250491.db2.gz JSQAAWPYZMOLIR-YOEHRIQHSA-N 1 0 368.399 2.408 20 30 FEEDRO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000108879479 543307340 /nfs/dbraw/zinc/30/73/40/543307340.db2.gz KVNWMXPIMNEGKG-PKOBYXMFSA-N 1 0 356.470 2.159 20 30 FEEDRO CC(C)(C)C[N@H+](CCCO)CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000109747809 543336297 /nfs/dbraw/zinc/33/62/97/543336297.db2.gz CHQBIDKUZSGRHD-UHFFFAOYSA-N 1 0 369.469 2.413 20 30 FEEDRO C=CCNC(=O)NC(=O)C[NH2+]C(C)(C)Cc1ccc(Br)cc1 ZINC000109818602 543340588 /nfs/dbraw/zinc/34/05/88/543340588.db2.gz KLWGGUTUPPTBLN-UHFFFAOYSA-N 1 0 368.275 2.372 20 30 FEEDRO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCCC[C@H]2CC(N)=O)cc1 ZINC000110524469 543360693 /nfs/dbraw/zinc/36/06/93/543360693.db2.gz DZYSYNGJAFTHOS-KRWDZBQOSA-N 1 0 372.469 2.062 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)Nc2ccc(OCCCC(=O)OC)cc2)CC1 ZINC000112254871 543436112 /nfs/dbraw/zinc/43/61/12/543436112.db2.gz PVSUMLGHNZNDPK-UHFFFAOYSA-N 1 0 358.438 2.302 20 30 FEEDRO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3CCC[C@H](C(C)C)CC3)CC2)o1 ZINC000114729057 543533806 /nfs/dbraw/zinc/53/38/06/543533806.db2.gz WYVXMJZYRKPYIW-KRWDZBQOSA-N 1 0 373.501 2.261 20 30 FEEDRO C=CC[C@@H](C)NC(=O)C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000117076623 543623189 /nfs/dbraw/zinc/62/31/89/543623189.db2.gz YWPSVIBESVWHMA-OAHLLOKOSA-N 1 0 361.511 2.297 20 30 FEEDRO CC[C@H]1CN(C(=O)/C=C/c2ccc(OCC#N)cc2)CC[N@@H+]1CCOC ZINC000117304184 543629013 /nfs/dbraw/zinc/62/90/13/543629013.db2.gz CPYASPZASRGWMM-YOCVDRLZSA-N 1 0 357.454 2.171 20 30 FEEDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000118019735 543643134 /nfs/dbraw/zinc/64/31/34/543643134.db2.gz SLURNSAZLCOIAG-ZDUSSCGKSA-N 1 0 368.384 2.392 20 30 FEEDRO CC[N@H+](CCNC(=O)C(=O)Nc1ccccc1SC[C@@H](C)C#N)C1CC1 ZINC000118121068 543646349 /nfs/dbraw/zinc/64/63/49/543646349.db2.gz MENVICXKLORXBN-AWEZNQCLSA-N 1 0 374.510 2.477 20 30 FEEDRO CCN(CC)C(=O)C1([NH2+]CC(=O)N[C@@](C)(C#N)C(C)C)CCCCC1 ZINC000118847022 543660063 /nfs/dbraw/zinc/66/00/63/543660063.db2.gz WPWIMJFVXURVIZ-SFHVURJKSA-N 1 0 350.507 2.202 20 30 FEEDRO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CCC[C@H](Cn2ccnn2)C1 ZINC000119032741 543662675 /nfs/dbraw/zinc/66/26/75/543662675.db2.gz AJNXPIYPTRJGPF-NNVNDSJASA-N 1 0 372.517 2.309 20 30 FEEDRO COC(=O)c1ccc(NC(=O)N(CCC#N)CCC[NH+](C)C)c(F)c1 ZINC000120386956 543679433 /nfs/dbraw/zinc/67/94/33/543679433.db2.gz ZDTTWNDLLIPRFP-UHFFFAOYSA-N 1 0 350.394 2.312 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1ccccc1OC(C)(C)C ZINC000122133686 543703859 /nfs/dbraw/zinc/70/38/59/543703859.db2.gz YXGFIJLUYNSKBK-UHFFFAOYSA-N 1 0 374.485 2.496 20 30 FEEDRO Cc1ccc([C@H](C[NH2+]Cc2cnc3ccc(C#N)cn23)N2CCOCC2)o1 ZINC000123203082 543748295 /nfs/dbraw/zinc/74/82/95/543748295.db2.gz DEEOVNJPWNBTEJ-SFHVURJKSA-N 1 0 365.437 2.271 20 30 FEEDRO COc1cc([C@H](C)[NH2+]Cc2cnc3ccc(C#N)cn23)ccc1OCCO ZINC000123432638 543761901 /nfs/dbraw/zinc/76/19/01/543761901.db2.gz YJAOVXZUXGTVEY-AWEZNQCLSA-N 1 0 366.421 2.436 20 30 FEEDRO N#Cc1ccc2ncc(C[NH2+]CCCS(=O)(=O)c3ccccc3)n2c1 ZINC000123474839 543763647 /nfs/dbraw/zinc/76/36/47/543763647.db2.gz RFMYECHEZQOPGY-UHFFFAOYSA-N 1 0 354.435 2.160 20 30 FEEDRO C[NH+](C)CCCNC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000124114973 543801673 /nfs/dbraw/zinc/80/16/73/543801673.db2.gz HXOMLHQAJYADKT-UHFFFAOYSA-N 1 0 366.421 2.357 20 30 FEEDRO COCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000124801647 543843960 /nfs/dbraw/zinc/84/39/60/543843960.db2.gz HLASDVHMYSICQC-GOSISDBHSA-N 1 0 356.470 2.201 20 30 FEEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1n[nH]c2c1CCCC2 ZINC000125797934 543902186 /nfs/dbraw/zinc/90/21/86/543902186.db2.gz VSYDDULCOKREAM-UHFFFAOYSA-N 1 0 351.454 2.364 20 30 FEEDRO C=C(C)CNC(=O)C(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1 ZINC000126834421 543959290 /nfs/dbraw/zinc/95/92/90/543959290.db2.gz LNGMPUZVOWKHED-UHFFFAOYSA-N 1 0 358.486 2.095 20 30 FEEDRO N#CC1(c2ccccc2)CC([NH2+]CCNS(=O)(=O)c2cccs2)C1 ZINC000128134657 544034720 /nfs/dbraw/zinc/03/47/20/544034720.db2.gz DICUKZPWLYXITF-UHFFFAOYSA-N 1 0 361.492 2.240 20 30 FEEDRO C[NH+](C)C[C@H]1CCN(C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)C1 ZINC000130506640 544153771 /nfs/dbraw/zinc/15/37/71/544153771.db2.gz MCHSERLWQPGFOT-WWDZGPRUSA-N 1 0 371.485 2.236 20 30 FEEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]C1CCN(S(=O)(=O)[N-]CC(F)(F)F)CC1 ZINC000130535977 544155203 /nfs/dbraw/zinc/15/52/03/544155203.db2.gz XIITUHNKQRKGNA-VXGBXAGGSA-N 1 0 357.442 2.038 20 30 FEEDRO CN(CCC#N)C(=O)CC[NH+]1CCN(Cc2ccc(Cl)s2)CC1 ZINC000130929072 544170714 /nfs/dbraw/zinc/17/07/14/544170714.db2.gz VDUVXNXJPDLSOJ-UHFFFAOYSA-N 1 0 354.907 2.281 20 30 FEEDRO CC(C)[N@H+]1C[C@H](NC(=O)N2CCN(c3ccccc3C#N)CC2)[C@@H](C)C1 ZINC000132261832 544224653 /nfs/dbraw/zinc/22/46/53/544224653.db2.gz OIABUYZZYPYFAX-WMZOPIPTSA-N 1 0 355.486 2.119 20 30 FEEDRO CCOC(=O)CNC(=O)C1CC[NH+](CC#Cc2ccc(Cl)cc2)CC1 ZINC000134539666 544312660 /nfs/dbraw/zinc/31/26/60/544312660.db2.gz ZFDSMDUZALHQBP-UHFFFAOYSA-N 1 0 362.857 2.083 20 30 FEEDRO Cc1ccc(NCCC[NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)c([N+](=O)[O-])c1 ZINC000151924424 544596517 /nfs/dbraw/zinc/59/65/17/544596517.db2.gz QCMSISWZUNNDNC-GOSISDBHSA-N 1 0 367.409 2.393 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CC(Oc3ccc(C#N)cc3)C2)CC1 ZINC000152598362 544672502 /nfs/dbraw/zinc/67/25/02/544672502.db2.gz IJEJMCBDZUCDLL-UHFFFAOYSA-N 1 0 354.454 2.371 20 30 FEEDRO C=CC[N@@H+](CCc1cn(CC(=O)OC)nn1)Cc1ccc(Cl)s1 ZINC000152959081 544716722 /nfs/dbraw/zinc/71/67/22/544716722.db2.gz OGEVYMHEHFJLIO-UHFFFAOYSA-N 1 0 354.863 2.397 20 30 FEEDRO C[C@@H](C(=O)Nc1ccc(F)cc1F)[N@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000153324925 544761763 /nfs/dbraw/zinc/76/17/63/544761763.db2.gz JIISHABZCXQJSJ-JTQLQIEISA-N 1 0 362.384 2.033 20 30 FEEDRO C[NH+](C)C[C@](C)(O)CNC(=O)c1cccc(OCc2ccccc2C#N)c1 ZINC000153365804 544766868 /nfs/dbraw/zinc/76/68/68/544766868.db2.gz PDAHKDLPOZLWHN-OAQYLSRUSA-N 1 0 367.449 2.180 20 30 FEEDRO C[NH+]=C(NC[C@@H](C)Sc1ccccc1)N[C@@H]1CCc2nc(C)nn2C1 ZINC000153397014 544770255 /nfs/dbraw/zinc/77/02/55/544770255.db2.gz IVYLSPNSBXGZMO-UKRRQHHQSA-N 1 0 358.515 2.247 20 30 FEEDRO C[NH+]=C(NCc1ccc(C(N)=O)o1)N1CCSC2(CCCCC2)C1 ZINC000153564445 544792253 /nfs/dbraw/zinc/79/22/53/544792253.db2.gz LSEHXFWSQSYWCF-UHFFFAOYSA-N 1 0 350.488 2.206 20 30 FEEDRO C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000154413745 544903260 /nfs/dbraw/zinc/90/32/60/544903260.db2.gz BWTBZSBYTSAUHL-JKSUJKDBSA-N 1 0 372.469 2.249 20 30 FEEDRO CCC[N@H+](C)[C@@H](CNC(=O)Cn1cnc(C#N)n1)c1ccc(Cl)cc1 ZINC000553027405 674234217 /nfs/dbraw/zinc/23/42/17/674234217.db2.gz YPNZOGXMPFDLPG-HNNXBMFYSA-N 1 0 360.849 2.002 20 30 FEEDRO CCCNC(=O)C1CC[NH+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000182611816 327782403 /nfs/dbraw/zinc/78/24/03/327782403.db2.gz QFUUUHCAUDQCLK-LJQANCHMSA-N 1 0 368.481 2.292 20 30 FEEDRO C[C@@H](CNC(=O)Nc1cnn(-c2ncccc2C#N)c1)[NH+]1CCC(C)CC1 ZINC000184588969 327874310 /nfs/dbraw/zinc/87/43/10/327874310.db2.gz BDFFCVLXILBYEY-HNNXBMFYSA-N 1 0 367.457 2.381 20 30 FEEDRO Cn1cc(C[NH2+]C[C@@H](O)COc2ccc(C(F)(F)F)cc2)cc1C#N ZINC000190868131 328237012 /nfs/dbraw/zinc/23/70/12/328237012.db2.gz RYFKXAJSOWJMHU-OAHLLOKOSA-N 1 0 353.344 2.445 20 30 FEEDRO C[N@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)C1(CO)CCOCC1 ZINC000190990832 328244046 /nfs/dbraw/zinc/24/40/46/328244046.db2.gz QJQIBYFJUHLOJB-UHFFFAOYSA-N 1 0 351.834 2.014 20 30 FEEDRO CN(CCCOc1ccc(S(C)(=O)=O)cc1)Cc1cc(C#N)n(C)c1 ZINC000191277048 328257844 /nfs/dbraw/zinc/25/78/44/328257844.db2.gz SEKINAAYHRDCQX-UHFFFAOYSA-N 1 0 361.467 2.201 20 30 FEEDRO C[C@@H](O)C[N@@H+]1CCN(Cc2cc(C#N)ccc2Br)C[C@@H]1C ZINC000191784746 328281704 /nfs/dbraw/zinc/28/17/04/328281704.db2.gz ONPKKEJUHBQUJV-QWHCGFSZSA-N 1 0 352.276 2.208 20 30 FEEDRO Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+](C)[C@@H]3CCCC[C@@H]3C)CC2)o1 ZINC000192846630 328343108 /nfs/dbraw/zinc/34/31/08/328343108.db2.gz FGGVTZAXEBVCQR-WMLDXEAASA-N 1 0 359.474 2.014 20 30 FEEDRO CCC[NH+]1CCC(CNC(=O)C2CCN(c3oc(C)nc3C#N)CC2)CC1 ZINC000193035969 328353377 /nfs/dbraw/zinc/35/33/77/328353377.db2.gz DIWDPNXDQUEYHE-UHFFFAOYSA-N 1 0 373.501 2.309 20 30 FEEDRO C[C@@H](NC(=O)c1ccnc(C#N)c1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000193048225 328353992 /nfs/dbraw/zinc/35/39/92/328353992.db2.gz OUQFMUXAQLDDNZ-CQSZACIVSA-N 1 0 367.428 2.335 20 30 FEEDRO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C1CCN(c2oc(C)nc2C#N)CC1 ZINC000193423648 328374601 /nfs/dbraw/zinc/37/46/01/328374601.db2.gz TXMUTBDQQIJGHO-INIZCTEOSA-N 1 0 359.474 2.014 20 30 FEEDRO C[C@@H]1CCC[C@](CNC(=O)C(=O)Nc2ccc(F)c(C#N)c2)([NH+](C)C)C1 ZINC000077540717 324995208 /nfs/dbraw/zinc/99/52/08/324995208.db2.gz SLLZZGUOIXKKME-YJYMSZOUSA-N 1 0 360.433 2.263 20 30 FEEDRO COC[C@](C)(CCO)[NH2+]CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000079921633 325109813 /nfs/dbraw/zinc/10/98/13/325109813.db2.gz FAVITOVJJBOKEH-SFHVURJKSA-N 1 0 365.499 2.204 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)CCN2CCC[C@@H]2C[NH+]2CCCCC2)cc1 ZINC000081513129 325179552 /nfs/dbraw/zinc/17/95/52/325179552.db2.gz MODZOINTUGFDOE-GOSISDBHSA-N 1 0 361.511 2.282 20 30 FEEDRO CN(C(=O)c1cc(C#N)cn1C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000081728375 325194384 /nfs/dbraw/zinc/19/43/84/325194384.db2.gz WYCFQJRCHXSUCX-UHFFFAOYSA-N 1 0 351.454 2.071 20 30 FEEDRO C[NH+](C)CCN(Cc1cccs1)C(=O)C(=O)Nc1cccc(C#N)c1 ZINC000084347748 325234590 /nfs/dbraw/zinc/23/45/90/325234590.db2.gz JKZNJDVRPVMYDV-UHFFFAOYSA-N 1 0 356.451 2.149 20 30 FEEDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2Cl)C1 ZINC000088780157 325301233 /nfs/dbraw/zinc/30/12/33/325301233.db2.gz SNRHFOKREGPAHL-AWEZNQCLSA-N 1 0 362.861 2.340 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)COc2ccc(Cl)c(C)c2)c1C#N ZINC000089661560 325325537 /nfs/dbraw/zinc/32/55/37/325325537.db2.gz VKLZVPJJGRAEFH-UHFFFAOYSA-N 1 0 361.833 2.413 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2F)c1C#N ZINC000089662743 325326130 /nfs/dbraw/zinc/32/61/30/325326130.db2.gz HHDLYSONFPWQRV-QWHCGFSZSA-N 1 0 359.380 2.454 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@H]2C[C@H]2c2ccc(F)cc2F)c1C#N ZINC000089662745 325326183 /nfs/dbraw/zinc/32/61/83/325326183.db2.gz HHDLYSONFPWQRV-STQMWFEESA-N 1 0 359.380 2.454 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H]2C[C@H]2c2cc(F)ccc2F)c1C#N ZINC000089675024 325326626 /nfs/dbraw/zinc/32/66/26/325326626.db2.gz YYUKHSWZOHMSHS-WCQYABFASA-N 1 0 359.380 2.454 20 30 FEEDRO N#Cc1cc(F)ccc1NC(=O)NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000089874177 325338690 /nfs/dbraw/zinc/33/86/90/325338690.db2.gz UOLZRHJXRJVEAB-MSOLQXFVSA-N 1 0 368.412 2.454 20 30 FEEDRO CC(C)c1cccc(NC(=O)C[N@H+](C)CCCc2[nH]nc(N)c2C#N)c1 ZINC000089942652 325343899 /nfs/dbraw/zinc/34/38/99/325343899.db2.gz GTLGMRAFSRWOOA-UHFFFAOYSA-N 1 0 354.458 2.490 20 30 FEEDRO N#Cc1cc(Br)cc(S(=O)(=O)N[C@@H]2CCCC[C@H]2C[NH3+])c1 ZINC000237933415 328534638 /nfs/dbraw/zinc/53/46/38/328534638.db2.gz RBYJIQJFFYLBGA-SMDDNHRTSA-N 1 0 372.288 2.117 20 30 FEEDRO N#Cc1ccc(C(=O)NCC(=O)N2CCC[C@H]([NH+]3CCCCCC3)C2)cc1 ZINC000108451599 325642903 /nfs/dbraw/zinc/64/29/03/325642903.db2.gz LHBUGZRISNROBR-IBGZPJMESA-N 1 0 368.481 2.155 20 30 FEEDRO CC(C)C[C@@H](CNC(=O)c1ccc(-n2ncc(C#N)c2N)cc1)[NH+](C)C ZINC000114377809 325885769 /nfs/dbraw/zinc/88/57/69/325885769.db2.gz LEJWZTIAGINQRF-KRWDZBQOSA-N 1 0 354.458 2.032 20 30 FEEDRO CS(=O)(=O)N[C@H]1CC[N@H+](Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000116890920 326040584 /nfs/dbraw/zinc/04/05/84/326040584.db2.gz UESLOZQWVOIHQQ-SFHVURJKSA-N 1 0 355.463 2.349 20 30 FEEDRO CC[C@H]1CCC[N@H+](CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)CC1 ZINC000117343006 326058425 /nfs/dbraw/zinc/05/84/25/326058425.db2.gz WYCUCWQWEKDORM-INIZCTEOSA-N 1 0 359.474 2.015 20 30 FEEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)NCC[NH+](C)C ZINC000118094549 326080740 /nfs/dbraw/zinc/08/07/40/326080740.db2.gz ZZQJOICQZAHXGU-UHFFFAOYSA-N 1 0 366.421 2.275 20 30 FEEDRO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CCCN(c2ncccc2C#N)CC1 ZINC000118780470 326101890 /nfs/dbraw/zinc/10/18/90/326101890.db2.gz VOYZCWDJIVYLBI-GOSISDBHSA-N 1 0 355.486 2.255 20 30 FEEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)[C@H](C)C1 ZINC000119708147 326189718 /nfs/dbraw/zinc/18/97/18/326189718.db2.gz HVCZSYUCBRBEDD-WBMJQRKESA-N 1 0 362.861 2.339 20 30 FEEDRO N#Cc1cccc(NCC(=O)N2CC[C@H](OCC[NH+]3CCCCC3)C2)c1 ZINC000119786724 326198370 /nfs/dbraw/zinc/19/83/70/326198370.db2.gz BBTSNZUOYQBBBP-IBGZPJMESA-N 1 0 356.470 2.074 20 30 FEEDRO N#Cc1c(Cl)cccc1S(=O)(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000120433421 326258140 /nfs/dbraw/zinc/25/81/40/326258140.db2.gz FXGVJBMCMKLDFV-CYBMUJFWSA-N 1 0 353.875 2.318 20 30 FEEDRO C[C@@H](CNS(=O)(=O)Cc1cc(C#N)ccc1F)[N@@H+]1CCC[C@@H](C)C1 ZINC000120735169 326283642 /nfs/dbraw/zinc/28/36/42/326283642.db2.gz CRNOYSXDZMFKNC-KGLIPLIRSA-N 1 0 353.463 2.237 20 30 FEEDRO C[C@H]1C[C@H](C)C[NH+](CCCNS(=O)(=O)Cc2cc(C#N)ccc2F)C1 ZINC000120748617 326284443 /nfs/dbraw/zinc/28/44/43/326284443.db2.gz FUCOWQPIIGKWPQ-GJZGRUSLSA-N 1 0 367.490 2.485 20 30 FEEDRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)Cc1cc(C#N)ccc1F ZINC000120953895 326301865 /nfs/dbraw/zinc/30/18/65/326301865.db2.gz OQYROSXEBAVLTO-HZPDHXFCSA-N 1 0 351.447 2.086 20 30 FEEDRO C[NH+](C)CCC1CCN(C(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)CC1 ZINC000124534201 326455764 /nfs/dbraw/zinc/45/57/64/326455764.db2.gz URTNNVVZFFUTDC-UHFFFAOYSA-N 1 0 362.861 2.340 20 30 FEEDRO N#Cc1cc(F)ccc1NC(=O)C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000128102286 326517950 /nfs/dbraw/zinc/51/79/50/326517950.db2.gz PRLHHSPVAFRKJU-UHFFFAOYSA-N 1 0 358.417 2.113 20 30 FEEDRO C[NH+](C)C[C@@H]1CCN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)C1 ZINC000129951323 326548798 /nfs/dbraw/zinc/54/87/98/326548798.db2.gz SRSMXJFWGPEVPM-IRXDYDNUSA-N 1 0 373.476 2.259 20 30 FEEDRO CCN(C)C(=O)CC[NH+]1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000130257594 326553773 /nfs/dbraw/zinc/55/37/73/326553773.db2.gz UNTXUULQFGAXGY-UHFFFAOYSA-N 1 0 351.454 2.097 20 30 FEEDRO C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C ZINC000150841444 326669158 /nfs/dbraw/zinc/66/91/58/326669158.db2.gz AUGTXMZBTFDHIN-ZDUSSCGKSA-N 1 0 366.421 2.125 20 30 FEEDRO C[NH+](C)C1CCN(S(=O)(=O)c2cc(Br)cc(C#N)c2)CC1 ZINC000155123633 326778546 /nfs/dbraw/zinc/77/85/46/326778546.db2.gz OVXHWIWDPSSBEF-UHFFFAOYSA-N 1 0 372.288 2.035 20 30 FEEDRO C[NH+](C)C[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1C#N ZINC000156664657 326839764 /nfs/dbraw/zinc/83/97/64/326839764.db2.gz QNBMGYKHVKQOGM-KRWDZBQOSA-N 1 0 361.442 2.149 20 30 FEEDRO COc1ccccc1OC[C@@H](C)C[NH2+][C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000162324576 327022465 /nfs/dbraw/zinc/02/24/65/327022465.db2.gz GDCKRRVPALCTOH-LIRRHRJNSA-N 1 0 353.422 2.398 20 30 FEEDRO N#Cc1ccc(NC(=O)CC[NH+]2CCN(c3cccnn3)CC2)cc1Cl ZINC000170649666 327090470 /nfs/dbraw/zinc/09/04/70/327090470.db2.gz DUFVNWYJJQQZJG-UHFFFAOYSA-N 1 0 370.844 2.152 20 30 FEEDRO CC[NH+](CC)[C@H](CNS(=O)(=O)c1ccc(C#N)nc1)c1ccccc1 ZINC000170656382 327091413 /nfs/dbraw/zinc/09/14/13/327091413.db2.gz RFUMMNIIEPXPPJ-GOSISDBHSA-N 1 0 358.467 2.315 20 30 FEEDRO CC[NH+](CC)[C@@H](CNS(=O)(=O)c1ccc(C#N)nc1)Cc1ccccc1 ZINC000170660647 327091909 /nfs/dbraw/zinc/09/19/09/327091909.db2.gz OFONFDPGCOGWBV-GOSISDBHSA-N 1 0 372.494 2.185 20 30 FEEDRO CNC(=O)CC[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 ZINC000171670722 327153775 /nfs/dbraw/zinc/15/37/75/327153775.db2.gz XCIXENHWUDZVEA-LBPRGKRZSA-N 1 0 362.499 2.141 20 30 FEEDRO C[C@@H](C(=O)Nc1ccccc1C#N)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173950910 327297178 /nfs/dbraw/zinc/29/71/78/327297178.db2.gz GAKRGYKYTLLLBA-KRWDZBQOSA-N 1 0 370.497 2.462 20 30 FEEDRO Cc1cccc(NC(=O)C(=O)NCCC[N@@H+](C)Cc2ccccc2)c1C#N ZINC000174599151 327337420 /nfs/dbraw/zinc/33/74/20/327337420.db2.gz BBAQHSOCXYQJML-UHFFFAOYSA-N 1 0 364.449 2.444 20 30 FEEDRO Cc1cccc(NC(=O)C(=O)N2CCC(C[NH+]3CCCC3)CC2)c1C#N ZINC000174730576 327346751 /nfs/dbraw/zinc/34/67/51/327346751.db2.gz MFBIFFURFSOLRP-UHFFFAOYSA-N 1 0 354.454 2.140 20 30 FEEDRO Cc1cccc(NC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)c1C#N ZINC000174953403 327363423 /nfs/dbraw/zinc/36/34/23/327363423.db2.gz RZWCUIFVGUFALQ-INIZCTEOSA-N 1 0 354.454 2.282 20 30 FEEDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)N2CCN(c3cccc(F)c3C#N)CC2)C1 ZINC000176572337 327464264 /nfs/dbraw/zinc/46/42/64/327464264.db2.gz MQLPOHZKWNUSIB-HZPDHXFCSA-N 1 0 373.476 2.402 20 30 FEEDRO COC(=O)[C@H](C)[C@H]([NH2+]C[C@@H](O)COc1ccc(C#N)cc1)c1ccccc1 ZINC000252652826 328794847 /nfs/dbraw/zinc/79/48/47/328794847.db2.gz XQAQYLZROCISLW-ZTNFWEORSA-N 1 0 368.433 2.438 20 30 FEEDRO C[C@@H]([NH3+])[C@H]1CCCCN1S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000262192523 328850051 /nfs/dbraw/zinc/85/00/51/328850051.db2.gz CJMRAKUHWREKQP-QMTHXVAHSA-N 1 0 361.389 2.467 20 30 FEEDRO N#Cc1ccccc1NC(=O)CC[N@@H+]1CCNC(=O)C[C@@H]1c1ccccc1 ZINC000264229934 329002461 /nfs/dbraw/zinc/00/24/61/329002461.db2.gz RFIOAFORDZDZPJ-LJQANCHMSA-N 1 0 362.433 2.450 20 30 FEEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@H+](C)[C@H]3CCN(C)C3=O)sc2C1 ZINC000265677712 329149278 /nfs/dbraw/zinc/14/92/78/329149278.db2.gz ZTKUSZOCMQCTSM-WFASDCNBSA-N 1 0 374.510 2.236 20 30 FEEDRO CC1(C2CC[NH+]([C@H]3CCN(c4ccc(C#N)cc4)C3=O)CC2)OCCO1 ZINC000268067779 329382022 /nfs/dbraw/zinc/38/20/22/329382022.db2.gz BNDXPBOODIKLDE-SFHVURJKSA-N 1 0 355.438 2.139 20 30 FEEDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CCCN(c2ccccc2C#N)CC1 ZINC000268161135 329391851 /nfs/dbraw/zinc/39/18/51/329391851.db2.gz OMJUKSYCYSTRSF-APWZRJJASA-N 1 0 367.497 2.263 20 30 FEEDRO CC[NH+]1CCC(CCNC(=O)C(=O)Nc2ccc(C#N)cc2Cl)CC1 ZINC000269130653 329488966 /nfs/dbraw/zinc/48/89/66/329488966.db2.gz VBXNMISCKAPOAG-UHFFFAOYSA-N 1 0 362.861 2.388 20 30 FEEDRO C[NH+](C)C[C@@H]1CN(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CCO1 ZINC000271600585 329706872 /nfs/dbraw/zinc/70/68/72/329706872.db2.gz ZHCNSVAUGKJTQP-CYBMUJFWSA-N 1 0 356.348 2.371 20 30 FEEDRO C[C@H]1C[C@@H](CNC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)CCO1 ZINC000271604383 329706955 /nfs/dbraw/zinc/70/69/55/329706955.db2.gz UYKLMCVMJKFATH-LPHOPBHVSA-N 1 0 358.486 2.447 20 30 FEEDRO C[C@H]([NH2+]CC(=O)Nc1sc2c(c1C(N)=O)CCC2)c1ccc(C#N)cc1 ZINC000271646834 329711452 /nfs/dbraw/zinc/71/14/52/329711452.db2.gz IGLZSBKVLOTICH-NSHDSACASA-N 1 0 368.462 2.497 20 30 FEEDRO CC(C)(C)C(=O)N1CCC(C[NH+]2CCN(c3cc(C#N)ccn3)CC2)CC1 ZINC000274740137 329975742 /nfs/dbraw/zinc/97/57/42/329975742.db2.gz DYXQSTFHXZUADM-UHFFFAOYSA-N 1 0 369.513 2.360 20 30 FEEDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)Nc1ccc(Cl)c(C#N)c1 ZINC000275948800 330105864 /nfs/dbraw/zinc/10/58/64/330105864.db2.gz YODCJAXZNXABJD-GFCCVEGCSA-N 1 0 362.861 2.339 20 30 FEEDRO Cc1ccc(C#N)cc1NC(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000367184298 330227365 /nfs/dbraw/zinc/22/73/65/330227365.db2.gz JLYGPHPQDDSXIB-VQIMIIECSA-N 1 0 355.486 2.356 20 30 FEEDRO C=CCN(CC=C)C(=O)C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000554164255 674306363 /nfs/dbraw/zinc/30/63/63/674306363.db2.gz WWTZDDVNFQCIMG-UHFFFAOYSA-N 1 0 365.543 2.055 20 30 FEEDRO N#Cc1ccc(N2CC[NH+](C[C@H](O)Cc3cccc(Cl)c3)CC2)cn1 ZINC000805753993 674352293 /nfs/dbraw/zinc/35/22/93/674352293.db2.gz NRGQSLAZVBORDU-LJQANCHMSA-N 1 0 356.857 2.332 20 30 FEEDRO CN(C)[C@@H](C[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)c1cccs1 ZINC000555392245 674358912 /nfs/dbraw/zinc/35/89/12/674358912.db2.gz GWFBFMOAROJDFQ-INIZCTEOSA-N 1 0 363.508 2.286 20 30 FEEDRO Cc1cccc(NC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1C#N ZINC000155965505 545587343 /nfs/dbraw/zinc/58/73/43/545587343.db2.gz ZDUPIEPMVFNXMC-DNVCBOLYSA-N 1 0 366.465 2.281 20 30 FEEDRO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 ZINC000156167493 545604423 /nfs/dbraw/zinc/60/44/23/545604423.db2.gz GGCWVELNBWGCGS-GOSISDBHSA-N 1 0 355.486 2.301 20 30 FEEDRO C[N@@H+]1CCCC[C@H]1CN1CCN(CCCOc2cccc(C#N)c2)CC1 ZINC000156294233 545615202 /nfs/dbraw/zinc/61/52/02/545615202.db2.gz MPBVAVVYLMMVGS-FQEVSTJZSA-N 1 0 356.514 2.429 20 30 FEEDRO N#Cc1cc(F)ccc1S(=O)(=O)NC1CCN(c2ccccn2)CC1 ZINC000156495414 545630975 /nfs/dbraw/zinc/63/09/75/545630975.db2.gz SZSLPNLLXLQPPM-UHFFFAOYSA-N 1 0 360.414 2.040 20 30 FEEDRO CC(=O)N1CC[C@@H](C[N@@H+](C)[C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000156739470 545654086 /nfs/dbraw/zinc/65/40/86/545654086.db2.gz SDKMYBFTAYISBP-OCCSQVGLSA-N 1 0 374.510 2.236 20 30 FEEDRO CCC(C)(C)[NH2+][C@H](C)C(=O)N1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000477723709 561152038 /nfs/dbraw/zinc/15/20/38/561152038.db2.gz WUEYYULXTPZWDF-ARGWCVDVSA-N 1 0 354.454 2.025 20 30 FEEDRO C=C(C)CN(C)C(=O)C(=O)Nc1cccc(N2CC[NH+](C(C)C)CC2)c1 ZINC000477916235 561156395 /nfs/dbraw/zinc/15/63/95/561156395.db2.gz ZSJDZKALRHOFPV-UHFFFAOYSA-N 1 0 358.486 2.190 20 30 FEEDRO C[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccnc(OCC[NH+](C)C)c1 ZINC000478063623 561159467 /nfs/dbraw/zinc/15/94/67/561159467.db2.gz PCKNRSSPBOPCBG-CQSZACIVSA-N 1 0 354.410 2.300 20 30 FEEDRO Cc1nc(C#N)c(N2CCN(C(=O)C[NH+]3CCC4(CCCC4)CC3)CC2)o1 ZINC000158368607 545853844 /nfs/dbraw/zinc/85/38/44/545853844.db2.gz VHZDDHXUJNZDNL-UHFFFAOYSA-N 1 0 371.485 2.160 20 30 FEEDRO C[C@H]1CCC[N@@H+]1C1CCN(S(=O)(=O)c2ccc(F)c(C#N)c2)CC1 ZINC000158566032 545872235 /nfs/dbraw/zinc/87/22/35/545872235.db2.gz XEAPVHKGRTTZQA-ZDUSSCGKSA-N 1 0 351.447 2.335 20 30 FEEDRO C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCCCN1CC[NH2+]CC1 ZINC000158788781 545895328 /nfs/dbraw/zinc/89/53/28/545895328.db2.gz XUKCHSSAOGCRGP-UHFFFAOYSA-N 1 0 371.403 2.295 20 30 FEEDRO N#Cc1cccc(/C=C/C(=O)NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c1 ZINC000159275355 545938902 /nfs/dbraw/zinc/93/89/02/545938902.db2.gz BJGKSSVZTYCFEL-MHNQQFQPSA-N 1 0 361.445 2.107 20 30 FEEDRO C[C@H](c1ccncc1)[NH+]1CCC(N[C@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000159929191 545992383 /nfs/dbraw/zinc/99/23/83/545992383.db2.gz DSIIMNAHNOQZPK-QRWLVFNGSA-N 1 0 363.465 2.295 20 30 FEEDRO CC[NH+]=C(NCc1c(C)nn(C)c1C)N1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000160085815 546006176 /nfs/dbraw/zinc/00/61/76/546006176.db2.gz YAZABPANRUUEFW-KBXCAEBGSA-N 1 0 357.506 2.282 20 30 FEEDRO C=CCN(CCOC)C(=O)NCC1([NH+]2CCC(OC)CC2)CCCC1 ZINC000478617563 561171207 /nfs/dbraw/zinc/17/12/07/561171207.db2.gz CBNZJTKFEBHLAP-UHFFFAOYSA-N 1 0 353.507 2.254 20 30 FEEDRO CSc1c(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cnn1C ZINC000478691386 561172876 /nfs/dbraw/zinc/17/28/76/561172876.db2.gz CLQXHFMQECONFL-UHFFFAOYSA-N 1 0 357.483 2.218 20 30 FEEDRO C[NH+](C)C1CCN(CCNC(=O)N[C@H](CCC#N)c2ccccc2)CC1 ZINC000160687132 546064036 /nfs/dbraw/zinc/06/40/36/546064036.db2.gz CYTUXDNWBBCKPM-LJQANCHMSA-N 1 0 357.502 2.357 20 30 FEEDRO O=C(NCC[NH2+]Cc1ccc(OC(F)F)c(F)c1)C1N=CC=CC1=O ZINC000168325109 546159722 /nfs/dbraw/zinc/15/97/22/546159722.db2.gz UTIJXOIVDBWIMX-CCEZHUSRSA-N 1 0 355.316 2.043 20 30 FEEDRO [NH2+]=C(NC[C@@H](O)COc1cccc(C(F)(F)F)c1)Nc1ccccn1 ZINC000170910685 546181317 /nfs/dbraw/zinc/18/13/17/546181317.db2.gz PWSHBFNGJSWCHN-GFCCVEGCSA-N 1 0 354.332 2.267 20 30 FEEDRO COc1ccccc1CNC(=[NH2+])NCc1cccc(CN2CCCC2=O)c1 ZINC000170912138 546182839 /nfs/dbraw/zinc/18/28/39/546182839.db2.gz SWIXZPKKUAOPGG-UHFFFAOYSA-N 1 0 366.465 2.422 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000171718727 546220404 /nfs/dbraw/zinc/22/04/04/546220404.db2.gz CZRAEESSQXYJNY-UHFFFAOYSA-N 1 0 355.398 2.161 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)NC[C@H]2CCN(c3ccccc3OC)C2)CC1 ZINC000171730404 546221453 /nfs/dbraw/zinc/22/14/53/546221453.db2.gz AGZQWWVIEDSTNY-QGZVFWFLSA-N 1 0 372.513 2.471 20 30 FEEDRO N#CCCSc1ccccc1NC(=O)C(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000171774071 546225986 /nfs/dbraw/zinc/22/59/86/546225986.db2.gz DQJCUYJKIWGJQQ-UHFFFAOYSA-N 1 0 372.494 2.328 20 30 FEEDRO C=CCNC(=O)C[NH+]1CCC(C(=O)N(Cc2ccccc2)C2CC2)CC1 ZINC000172587395 546259699 /nfs/dbraw/zinc/25/96/99/546259699.db2.gz CZCROIAGYPYRGB-UHFFFAOYSA-N 1 0 355.482 2.192 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000173271687 546277039 /nfs/dbraw/zinc/27/70/39/546277039.db2.gz MYYDCNFEJSJCJR-UHFFFAOYSA-N 1 0 354.454 2.193 20 30 FEEDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)Nc2ccn(CCC#N)n2)[C@H](C)C1 ZINC000173370264 546279709 /nfs/dbraw/zinc/27/97/09/546279709.db2.gz XEONCBTXNDPEIC-CVEARBPZSA-N 1 0 362.478 2.055 20 30 FEEDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)/C=C/c2ccc(OCC#N)c(OC)c2)C1 ZINC000174505521 546297846 /nfs/dbraw/zinc/29/78/46/546297846.db2.gz YZMKUJMMKKAIGR-JKNJVXJCSA-N 1 0 357.454 2.411 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N[C@@H](C)c2nc(Cc3ccccc3)no2)CC1 ZINC000175322780 546308268 /nfs/dbraw/zinc/30/82/68/546308268.db2.gz ZRDIGPMCAOJSGG-HNNXBMFYSA-N 1 0 352.438 2.183 20 30 FEEDRO C=CCN1C(=O)c2ccc(C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)cc2C1=O ZINC000479762339 561196496 /nfs/dbraw/zinc/19/64/96/561196496.db2.gz IMOSCHPMMHMYLF-CYBMUJFWSA-N 1 0 357.454 2.175 20 30 FEEDRO C=CCN(Cc1ccccc1F)C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000175769145 546345918 /nfs/dbraw/zinc/34/59/18/546345918.db2.gz QPNNUZUAJFIKRR-QGZVFWFLSA-N 1 0 362.493 2.407 20 30 FEEDRO C[C@@H]1CCC[C@](CNC(=O)C(=O)Nc2ccc(F)cc2C#N)([NH+](C)C)C1 ZINC000175966483 546381965 /nfs/dbraw/zinc/38/19/65/546381965.db2.gz FBBRRKQIYHFBGT-YJYMSZOUSA-N 1 0 360.433 2.263 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)NCCc2cccc(C(=O)N(C)C)c2)CC1 ZINC000176499690 546454689 /nfs/dbraw/zinc/45/46/89/546454689.db2.gz OPRSPECRGZBUPU-UHFFFAOYSA-N 1 0 372.513 2.271 20 30 FEEDRO C[NH+](C)CCN(Cc1ccco1)S(=O)(=O)Cc1ccc(C#N)cc1F ZINC000480693532 561214550 /nfs/dbraw/zinc/21/45/50/561214550.db2.gz CJZUHFAKKSKAMY-UHFFFAOYSA-N 1 0 365.430 2.184 20 30 FEEDRO C#Cc1cccc(NC(=O)C(=O)NCC2CC[NH+](CCC(C)C)CC2)c1 ZINC000177343485 546598163 /nfs/dbraw/zinc/59/81/63/546598163.db2.gz OYTZBKTVEBVJHV-UHFFFAOYSA-N 1 0 355.482 2.481 20 30 FEEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)Cn1cc2ccccc2n1 ZINC000480866697 561218785 /nfs/dbraw/zinc/21/87/85/561218785.db2.gz CACXJMLNZLHQKU-UHFFFAOYSA-N 1 0 361.449 2.498 20 30 FEEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000177535246 546639143 /nfs/dbraw/zinc/63/91/43/546639143.db2.gz OAEIIIQLRUACOU-LSDHHAIUSA-N 1 0 374.510 2.429 20 30 FEEDRO N#Cc1ccc(CN2CCCN(C(=O)c3cnc(Cl)cn3)CC2)cc1 ZINC000178166725 546750099 /nfs/dbraw/zinc/75/00/99/546750099.db2.gz YUYBRVVTRYINEK-UHFFFAOYSA-N 1 0 355.829 2.350 20 30 FEEDRO Cc1c(C#N)cccc1NC(=O)C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000178412183 546789084 /nfs/dbraw/zinc/78/90/84/546789084.db2.gz NXTYIYAKJGYMBA-UHFFFAOYSA-N 1 0 350.422 2.183 20 30 FEEDRO Cc1c(C#N)cccc1NC(=O)C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000178445629 546795032 /nfs/dbraw/zinc/79/50/32/546795032.db2.gz TXKVRAUFTWCDHY-GOSISDBHSA-N 1 0 364.449 2.094 20 30 FEEDRO C[C@@H]([NH2+]CCCCC#N)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000178641959 546825404 /nfs/dbraw/zinc/82/54/04/546825404.db2.gz YKFUUHKCCRPHFX-OAHLLOKOSA-N 1 0 351.472 2.052 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N2CCO[C@H](c3cccc(OC)c3)C2)CC1 ZINC000178774885 546848180 /nfs/dbraw/zinc/84/81/80/546848180.db2.gz MUURKWKIDLFIAN-IBGZPJMESA-N 1 0 359.470 2.429 20 30 FEEDRO C[N@@H+]1CC[C@@H](NS(=O)(=O)Cc2cccc(C#N)c2)[C@@H]1c1ccccc1 ZINC000178948881 546878709 /nfs/dbraw/zinc/87/87/09/546878709.db2.gz MUFCOCNUSAFLBR-MOPGFXCFSA-N 1 0 355.463 2.423 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)CCc2ccc(S(=O)(=O)CC)cc2)CC1 ZINC000179312802 546929715 /nfs/dbraw/zinc/92/97/15/546929715.db2.gz OZOSOQMSQFRHOK-UHFFFAOYSA-N 1 0 364.511 2.179 20 30 FEEDRO Cc1c(C#N)cccc1NC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000179469945 546959358 /nfs/dbraw/zinc/95/93/58/546959358.db2.gz MBHCXVFVUXNVNE-RTBURBONSA-N 1 0 362.433 2.367 20 30 FEEDRO CCN1CC[NH+](C[C@@H](C)CNC(=O)Nc2ccccc2O[C@H](C)C#N)CC1 ZINC000180017153 547039552 /nfs/dbraw/zinc/03/95/52/547039552.db2.gz NTGPRPDGHJDUNY-DLBZAZTESA-N 1 0 373.501 2.373 20 30 FEEDRO CC(C)CN1CCO[C@@H](C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000180033854 547042054 /nfs/dbraw/zinc/04/20/54/547042054.db2.gz MEYYJNGMJKPTCP-FQEVSTJZSA-N 1 0 367.497 2.405 20 30 FEEDRO C=CC[C@@H](C)NC(=O)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000180043704 547042861 /nfs/dbraw/zinc/04/28/61/547042861.db2.gz DDBXXWOCBBTLIP-OAHLLOKOSA-N 1 0 358.486 2.236 20 30 FEEDRO C[C@H]([NH2+]CCC(=O)N1CCN(c2ccccn2)CC1)c1ccc(C#N)cc1 ZINC000180134310 547056757 /nfs/dbraw/zinc/05/67/57/547056757.db2.gz ZHRSIIAEXUKEAN-KRWDZBQOSA-N 1 0 363.465 2.343 20 30 FEEDRO Cc1cc(C#N)ccc1S(=O)(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000180198154 547066764 /nfs/dbraw/zinc/06/67/64/547066764.db2.gz CEXZHWCSTNFZND-UHFFFAOYSA-N 1 0 370.478 2.457 20 30 FEEDRO C[C@H]([NH2+]C[C@@H](O)c1ccc(C#N)cc1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000180539595 547127563 /nfs/dbraw/zinc/12/75/63/547127563.db2.gz QRIFWCCPIQUQNR-IFXJQAMLSA-N 1 0 373.478 2.193 20 30 FEEDRO C[C@@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1ccc(OC(F)F)cc1 ZINC000180870586 547198335 /nfs/dbraw/zinc/19/83/35/547198335.db2.gz BJAINPKAJDNATD-YZSSSTSJSA-N 1 0 351.353 2.465 20 30 FEEDRO C=CCCC[C@@H](C)NC(=O)C(=O)Nc1ccnn1C1CC[NH+](CC)CC1 ZINC000180972615 547221850 /nfs/dbraw/zinc/22/18/50/547221850.db2.gz KVQWWZBLNQAPHR-OAHLLOKOSA-N 1 0 361.490 2.339 20 30 FEEDRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2ccc(C#N)cc2OC)cc1 ZINC000181036058 547236571 /nfs/dbraw/zinc/23/65/71/547236571.db2.gz JNCZOGOPRUVCSG-CYBMUJFWSA-N 1 0 359.451 2.326 20 30 FEEDRO C=CCNC(=O)CN[C@H](c1ccc(C)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000181161652 547260904 /nfs/dbraw/zinc/26/09/04/547260904.db2.gz OSNLXTDYWZGYKS-HXUWFJFHSA-N 1 0 372.490 2.380 20 30 FEEDRO Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CCC[C@H](C(C)(C)C)C3)CC2)o1 ZINC000483257828 561272042 /nfs/dbraw/zinc/27/20/42/561272042.db2.gz SDODSDMUZPLTOS-INIZCTEOSA-N 1 0 373.501 2.261 20 30 FEEDRO C=CCNC(=O)c1ccc(NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)cc1 ZINC000182590215 547518046 /nfs/dbraw/zinc/51/80/46/547518046.db2.gz VMNUFDGWQXCDRN-SFHVURJKSA-N 1 0 357.454 2.184 20 30 FEEDRO Cc1nc(C#N)c(N2CCN(C(=O)C[NH2+][C@H](C)C3CCCCC3)CC2)o1 ZINC000182707756 547537380 /nfs/dbraw/zinc/53/73/80/547537380.db2.gz LJEVFOQLXJUVDQ-CQSZACIVSA-N 1 0 359.474 2.062 20 30 FEEDRO CCCC(=O)N[C@H]1CCCN([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000182735320 547543147 /nfs/dbraw/zinc/54/31/47/547543147.db2.gz VYXVJLPWKHJROV-PKOBYXMFSA-N 1 0 368.481 2.434 20 30 FEEDRO CCCCC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)CC(N)=O ZINC000183048716 547592663 /nfs/dbraw/zinc/59/26/63/547592663.db2.gz GYGBAAMOWGNPCP-UHFFFAOYSA-N 1 0 362.499 2.415 20 30 FEEDRO N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)C[N@@H+]2C[C@@H]3CCC[C@@H]3C2)CC1 ZINC000183186194 547617627 /nfs/dbraw/zinc/61/76/27/547617627.db2.gz RSQZOVKKHQJYEY-NSHGMRRFSA-N 1 0 370.472 2.266 20 30 FEEDRO C=CC[C@H](CO)NC(=O)C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000183187626 547618153 /nfs/dbraw/zinc/61/81/53/547618153.db2.gz UHTGUVDEXNVADY-QGZVFWFLSA-N 1 0 373.497 2.443 20 30 FEEDRO CN(CCCN1CC[NH+](C)CC1)C(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000183360260 547644180 /nfs/dbraw/zinc/64/41/80/547644180.db2.gz LMEUSLPWFAXOND-IBGZPJMESA-N 1 0 357.502 2.310 20 30 FEEDRO CC1([C@H]2CCC[N@H+](CC(=O)N(CCC#N)c3ccccc3)C2)OCCO1 ZINC000183842377 547728569 /nfs/dbraw/zinc/72/85/69/547728569.db2.gz CFEOWHDZIOEFQX-KRWDZBQOSA-N 1 0 357.454 2.408 20 30 FEEDRO CC[N@H+](CCO)CCNC(=O)c1cccc(COc2cccc(C#N)c2)c1 ZINC000183992169 547751224 /nfs/dbraw/zinc/75/12/24/547751224.db2.gz ZLOBYOBYTNKXEL-UHFFFAOYSA-N 1 0 367.449 2.181 20 30 FEEDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)Nc2cnn(-c3ncccc3C#N)c2)C1 ZINC000184625679 547856436 /nfs/dbraw/zinc/85/64/36/547856436.db2.gz AFRJTQARRBBXPR-OAHLLOKOSA-N 1 0 367.457 2.335 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)Nc2cc(C#N)ccc2OCCOC)CC1 ZINC000184623831 547856486 /nfs/dbraw/zinc/85/64/86/547856486.db2.gz GMRCDOSIMOLVII-UHFFFAOYSA-N 1 0 358.442 2.355 20 30 FEEDRO N#Cc1csc(C[NH2+][C@H](Cc2ccccc2)C(=O)N2CCOCC2)c1 ZINC000185160312 547944149 /nfs/dbraw/zinc/94/41/49/547944149.db2.gz KSXTZKHOOGZRRK-GOSISDBHSA-N 1 0 355.463 2.179 20 30 FEEDRO C=CCSc1ccccc1C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000485459503 561319532 /nfs/dbraw/zinc/31/95/32/561319532.db2.gz BDZJACICAQDTJH-KRWDZBQOSA-N 1 0 373.522 2.343 20 30 FEEDRO CCC[NH+]1CCC(N(C)S(=O)(=O)c2ccc(C#N)cc2OC)CC1 ZINC000185496171 547992973 /nfs/dbraw/zinc/99/29/73/547992973.db2.gz AKLVLZHAKCAYJF-UHFFFAOYSA-N 1 0 351.472 2.062 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N2CCC(O)(c3c(F)cccc3F)CC2)CC1 ZINC000186430270 548133927 /nfs/dbraw/zinc/13/39/27/548133927.db2.gz SWWHNSQYDGYTBA-UHFFFAOYSA-N 1 0 362.420 2.120 20 30 FEEDRO CC(C)(C)OC(=O)N1CCN([C@@H]2CCC[N@H+](CCCCC#N)C2)C(=O)C1 ZINC000186475245 548140308 /nfs/dbraw/zinc/14/03/08/548140308.db2.gz PKBUYRKBIBRXEJ-MRXNPFEDSA-N 1 0 364.490 2.224 20 30 FEEDRO C=CC[C@H](C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)c1ccccc1 ZINC000186634877 548163328 /nfs/dbraw/zinc/16/33/28/548163328.db2.gz GCDFETAMMBYGRK-RBUKOAKNSA-N 1 0 355.482 2.111 20 30 FEEDRO CCC(C)(C)NC(=S)C(C(=O)c1cnn(C)c1)[n+]1ccc(N(C)C)cc1 ZINC000186974384 548233646 /nfs/dbraw/zinc/23/36/46/548233646.db2.gz RBQIGCVCDRSZIS-UHFFFAOYSA-O 1 0 374.534 2.491 20 30 FEEDRO N#CCCN(CCC#N)C(=O)C[NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000192038789 548355617 /nfs/dbraw/zinc/35/56/17/548355617.db2.gz KVBQMEYYSWWMFC-AEFFLSMTSA-N 1 0 360.845 2.416 20 30 FEEDRO N#CCCN(CCC#N)C(=O)C[NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000192038795 548355714 /nfs/dbraw/zinc/35/57/14/548355714.db2.gz KVBQMEYYSWWMFC-FUHWJXTLSA-N 1 0 360.845 2.416 20 30 FEEDRO CN1CCc2cc(C[NH2+][C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)ccc21 ZINC000192244095 548361507 /nfs/dbraw/zinc/36/15/07/548361507.db2.gz VPODFTQELDYSEH-FQEVSTJZSA-N 1 0 360.461 2.441 20 30 FEEDRO Cc1cc(N(CCC#N)C(=O)C[NH2+][C@@H]2C(=O)NCC[C@H]2C)ccc1Cl ZINC000193621734 548391931 /nfs/dbraw/zinc/39/19/31/548391931.db2.gz OEFIQQGGGYDFLB-PXAZEXFGSA-N 1 0 362.861 2.009 20 30 FEEDRO C[N@H+]1C[C@H]2CN(C(=O)C(=O)Nc3cccc(C#Cc4ccccc4)c3)C[C@H]2C1 ZINC000194924008 548551748 /nfs/dbraw/zinc/55/17/48/548551748.db2.gz HRNCOPQHTQBXEI-BGYRXZFFSA-N 1 0 373.456 2.045 20 30 FEEDRO N#Cc1ccc(NC(=O)NC[C@@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)cc1 ZINC000245543832 548943208 /nfs/dbraw/zinc/94/32/08/548943208.db2.gz ATBROEMLPOMBQF-OALUTQOASA-N 1 0 350.422 2.315 20 30 FEEDRO CCS[C@@H]1CCCC[N@H+](CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)C1 ZINC000245563196 548947903 /nfs/dbraw/zinc/94/79/03/548947903.db2.gz PMKXNWHHCRMHKF-QZTJIDSGSA-N 1 0 366.575 2.286 20 30 FEEDRO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NCCCC[N@@H+]1CCC[C@H]1CO ZINC000245722519 548982831 /nfs/dbraw/zinc/98/28/31/548982831.db2.gz RKMPQDZFVLUDTR-AZUAARDMSA-N 1 0 373.497 2.315 20 30 FEEDRO C[C@@H]1CCC[N@H+](CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)C1 ZINC000245882520 549009058 /nfs/dbraw/zinc/00/90/58/549009058.db2.gz NXBYSVKMSBRDTF-VQIMIIECSA-N 1 0 358.461 2.266 20 30 FEEDRO C[C@H](N[C@H](C[S@@](C)=O)c1ccccc1)C(=O)NC1(C#N)CCCCC1 ZINC000245882209 549009325 /nfs/dbraw/zinc/00/93/25/549009325.db2.gz NUBBXOSLWRGDKV-KBUMFOBPSA-N 1 0 361.511 2.427 20 30 FEEDRO C=CCCC[C@H](C)NC(=O)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000488174307 561385149 /nfs/dbraw/zinc/38/51/49/561385149.db2.gz GADKPIVOKAQVRF-INIZCTEOSA-N 1 0 358.486 2.275 20 30 FEEDRO CCC[C@@H]1CN(C(=O)[C@H](C)Oc2ccccc2C#N)CC[N@@H+]1CCOC ZINC000245925593 549021680 /nfs/dbraw/zinc/02/16/80/549021680.db2.gz OOSVERXLFGRYLM-FUHWJXTLSA-N 1 0 359.470 2.285 20 30 FEEDRO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCO[C@@H]2CC[C@@H](OC)C[C@@H]21 ZINC000246061683 549044617 /nfs/dbraw/zinc/04/46/17/549044617.db2.gz BICWYGZHMJSKNT-WERVVEIQSA-N 1 0 361.482 2.423 20 30 FEEDRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)N1CCO[C@@H](C#N)C1 ZINC000246285443 549097442 /nfs/dbraw/zinc/09/74/42/549097442.db2.gz AIGFPZHRSMOJAA-NUJGCVRESA-N 1 0 356.470 2.077 20 30 FEEDRO C[N@@H+]1CCC[C@H]2CN(S(=O)(=O)c3ccc(Cl)cc3C#N)CC[C@H]21 ZINC000246326700 549105933 /nfs/dbraw/zinc/10/59/33/549105933.db2.gz ZHNXUOFSMDFREK-SWLSCSKDSA-N 1 0 353.875 2.316 20 30 FEEDRO C=C(C)C[N@@H+](CC)[C@H](C)C(=O)Nc1cc(C(=O)OC)ccc1C(=O)OC ZINC000488495613 561390839 /nfs/dbraw/zinc/39/08/39/561390839.db2.gz RITVBCZTMHBPPW-CYBMUJFWSA-N 1 0 362.426 2.485 20 30 FEEDRO C[C@@H](C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1)[NH+]1CCCCCC1 ZINC000246387238 549121526 /nfs/dbraw/zinc/12/15/26/549121526.db2.gz OOLPLIYTRHWDEP-ICSRJNTNSA-N 1 0 354.498 2.487 20 30 FEEDRO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H]2C[C@H](O)c2ccco2)cc1 ZINC000246459434 549138244 /nfs/dbraw/zinc/13/82/44/549138244.db2.gz FQVRITARQINFCX-LMMKCTJWSA-N 1 0 356.422 2.479 20 30 FEEDRO Cc1nc(C(=O)Nc2cccc(C[NH+]3CCC(O)CC3)c2)ccc1C#N ZINC000488695822 561394737 /nfs/dbraw/zinc/39/47/37/561394737.db2.gz SDZAHWZOPXSYAB-UHFFFAOYSA-N 1 0 350.422 2.471 20 30 FEEDRO C=CCn1cccc1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000488824685 561397743 /nfs/dbraw/zinc/39/77/43/561397743.db2.gz ZKRVRUBFWVDDKQ-OALUTQOASA-N 1 0 353.466 2.287 20 30 FEEDRO C[N@H+](CCCNS(=O)(=O)c1ccc(C#N)c(F)c1)Cc1ccccc1 ZINC000489066684 561402602 /nfs/dbraw/zinc/40/26/02/561402602.db2.gz FXTAVYYJZFBGTF-UHFFFAOYSA-N 1 0 361.442 2.498 20 30 FEEDRO Cc1ncc(S(=O)(=O)NCC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)cc1C#N ZINC000489115011 561403748 /nfs/dbraw/zinc/40/37/48/561403748.db2.gz FIYWMRYJPAUUBS-KBPBESRZSA-N 1 0 364.515 2.297 20 30 FEEDRO C[N@@H+]1CCC[C@@H]2CN(S(=O)(=O)c3cc(C#N)ccc3Cl)CC[C@H]21 ZINC000248051801 549403809 /nfs/dbraw/zinc/40/38/09/549403809.db2.gz WLEMFKHXKURYDG-UKRRQHHQSA-N 1 0 353.875 2.316 20 30 FEEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000248979575 549534665 /nfs/dbraw/zinc/53/46/65/549534665.db2.gz FIOAXTQUGUZWTI-VQISRLSMSA-N 1 0 369.824 2.299 20 30 FEEDRO C[C@H](C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000248988361 549537110 /nfs/dbraw/zinc/53/71/10/549537110.db2.gz GSYFQKHWYPMIJD-YYAJDYIMSA-N 1 0 368.481 2.037 20 30 FEEDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)C1 ZINC000489763969 561418581 /nfs/dbraw/zinc/41/85/81/561418581.db2.gz VTNMRYINMIVPSE-WOJBJXKFSA-N 1 0 369.513 2.258 20 30 FEEDRO CC(C)C(=O)NC[C@H]1CCC[N@@H+]([C@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000250705978 549643756 /nfs/dbraw/zinc/64/37/56/549643756.db2.gz XZGRICKVSRHWJZ-IAGOWNOFSA-N 1 0 362.518 2.202 20 30 FEEDRO C[NH+]=C(NCc1cn2ccccc2n1)N1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000261635077 549737316 /nfs/dbraw/zinc/73/73/16/549737316.db2.gz CUQAPACCTISNHN-AWEZNQCLSA-N 1 0 357.458 2.073 20 30 FEEDRO C=CCNC(NCc1nnc(C)n1C)=[NH+][C@@H]1CCOC2(CCCCC2)C1 ZINC000261980647 549776355 /nfs/dbraw/zinc/77/63/55/549776355.db2.gz OUJCSNRQYSNQBZ-MRXNPFEDSA-N 1 0 360.506 2.227 20 30 FEEDRO C[NH+]=C(NCC1(SC)CCOCC1)N1CC[C@@H](Oc2ccccn2)C1 ZINC000261999618 549778484 /nfs/dbraw/zinc/77/84/84/549778484.db2.gz UAIDBRVBLBAQOA-OAHLLOKOSA-N 1 0 364.515 2.022 20 30 FEEDRO CC[NH+]=C(NCc1ccc(S(C)(=O)=O)cc1)N1CCS[C@H](CC)C1 ZINC000262013670 549779566 /nfs/dbraw/zinc/77/95/66/549779566.db2.gz VIHFEFXFTLRLAM-OAHLLOKOSA-N 1 0 369.556 2.383 20 30 FEEDRO C[C@@H]1C[NH+]=C(NCC2(c3ccc(Br)cc3)CCOCC2)N1 ZINC000262481121 549823418 /nfs/dbraw/zinc/82/34/18/549823418.db2.gz CZCQPHUNXAWMPT-GFCCVEGCSA-N 1 0 352.276 2.435 20 30 FEEDRO CC(C)C(=O)N1CCN(C(NCc2ccc([N+](=O)[O-])cc2)=[NH+]C2CC2)CC1 ZINC000262512709 549825192 /nfs/dbraw/zinc/82/51/92/549825192.db2.gz BSQNSOIPQZJQDI-UHFFFAOYSA-N 1 0 373.457 2.003 20 30 FEEDRO Cc1cc(CNC(=[NH2+])Nc2ccc3c(c2)CCC3)ccc1S(N)(=O)=O ZINC000262761971 549847400 /nfs/dbraw/zinc/84/74/00/549847400.db2.gz GDXMXVZCPZLFEW-UHFFFAOYSA-N 1 0 358.467 2.058 20 30 FEEDRO C[NH+]=C(NC[C@@H]1CCc2nnc(C)n2C1)NCC1(c2ccccc2)CCC1 ZINC000262782150 549849218 /nfs/dbraw/zinc/84/92/18/549849218.db2.gz LKYMLFRYGVEPPU-KRWDZBQOSA-N 1 0 366.513 2.436 20 30 FEEDRO CC1CCN(C(=[NH2+])NC[C@@H]2CC(=O)N(C(C)(C)C)[C@H]2c2cnn(C)c2)CC1 ZINC000262790222 549850671 /nfs/dbraw/zinc/85/06/71/549850671.db2.gz KOUSYJDJTXJTBT-MAUKXSAKSA-N 1 0 374.533 2.155 20 30 FEEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)C[C@H](C[NH3+])OC ZINC000262914488 549862279 /nfs/dbraw/zinc/86/22/79/549862279.db2.gz RBORCWXDADAHBG-CYBMUJFWSA-N 1 0 359.239 2.467 20 30 FEEDRO CN(C)C(=O)[C@H]1CCCN1CCC[NH2+]Cc1ccc(N(C)CCC#N)cc1 ZINC000263722380 549926010 /nfs/dbraw/zinc/92/60/10/549926010.db2.gz WLVOAKHWUCGDDE-HXUWFJFHSA-N 1 0 371.529 2.069 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)NC1CCC(NC(C)=O)CC1)C(C)C ZINC000263779335 549935435 /nfs/dbraw/zinc/93/54/35/549935435.db2.gz VXMYINNWYHXOCN-ACBHZAAOSA-N 1 0 364.534 2.432 20 30 FEEDRO CC[C@@H](C)[N@H+](C)CCNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000263894676 549952153 /nfs/dbraw/zinc/95/21/53/549952153.db2.gz VEVZZEFEFOXJNT-QGZVFWFLSA-N 1 0 359.518 2.362 20 30 FEEDRO CCOCCC[NH+]=C(NCCCn1ccnc1)NCc1ccc(OC)cc1 ZINC000263940923 549958268 /nfs/dbraw/zinc/95/82/68/549958268.db2.gz CXXWFJCHRCXFMB-UHFFFAOYSA-N 1 0 373.501 2.444 20 30 FEEDRO CCOC(=O)N1CCC(NC(=[NH2+])NCCc2ccc(Cl)s2)CC1 ZINC000264118610 549981367 /nfs/dbraw/zinc/98/13/67/549981367.db2.gz UCSDDUFVWOGOGM-UHFFFAOYSA-N 1 0 358.895 2.469 20 30 FEEDRO N#Cc1cc(S(=O)(=O)N2CCC([NH+]3CCCCC3)CC2)ccc1F ZINC000264118394 549981493 /nfs/dbraw/zinc/98/14/93/549981493.db2.gz VCGQLGBPJSQJOI-UHFFFAOYSA-N 1 0 351.447 2.336 20 30 FEEDRO CC[C@@H](C)NC(=[NH2+])NCc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000264127172 549981906 /nfs/dbraw/zinc/98/19/06/549981906.db2.gz WUDYYQYOXQNCSQ-CQSZACIVSA-N 1 0 352.504 2.064 20 30 FEEDRO CC1(C)NC(=O)N(CCC[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)C1=O ZINC000264127778 549982529 /nfs/dbraw/zinc/98/25/29/549982529.db2.gz NVHRWAPKHBHLME-UHFFFAOYSA-N 1 0 370.453 2.122 20 30 FEEDRO C[C@@H](OCCCNC(=[NH2+])N1CCN(c2ncccn2)CC1)c1ccccc1 ZINC000264130092 549982544 /nfs/dbraw/zinc/98/25/44/549982544.db2.gz SYSUJEVHFBEFKJ-QGZVFWFLSA-N 1 0 368.485 2.081 20 30 FEEDRO CCOC(=O)N1CCC(NC(=[NH2+])NCCCc2cccc(OC)c2)CC1 ZINC000264318412 549993878 /nfs/dbraw/zinc/99/38/78/549993878.db2.gz WXCKUTIWTBRHLI-UHFFFAOYSA-N 1 0 362.474 2.153 20 30 FEEDRO C=C(C)COc1cc(C[NH2+]CCS(=O)(=O)NC(C)C)ccc1OC ZINC000264390276 549995329 /nfs/dbraw/zinc/99/53/29/549995329.db2.gz RWYXPBAQKBYHOC-UHFFFAOYSA-N 1 0 356.488 2.068 20 30 FEEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N1CCO[C@@H](C#N)C1 ZINC000264439340 549996009 /nfs/dbraw/zinc/99/60/09/549996009.db2.gz ZFQIPRRDPHDOPP-APWZRJJASA-N 1 0 356.470 2.495 20 30 FEEDRO C=C(C)COc1cc(C[NH2+]CCCN2CCC[C@@H]2C(N)=O)ccc1OC ZINC000264558345 549997941 /nfs/dbraw/zinc/99/79/41/549997941.db2.gz FAZXLXJJIQOLOC-QGZVFWFLSA-N 1 0 361.486 2.080 20 30 FEEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@H](C)CC[NH+](C)C ZINC000264807023 550001587 /nfs/dbraw/zinc/00/15/87/550001587.db2.gz ZEQFUQKRMQEQCU-ZIAGYGMSSA-N 1 0 362.499 2.333 20 30 FEEDRO CCCOc1ccc(C[NH2+]CCNC(=O)C2N=CC=CC2=O)cc1OC ZINC000264955667 550004147 /nfs/dbraw/zinc/00/41/47/550004147.db2.gz MFOJTZCADJVJKQ-HNENSFHCSA-N 1 0 359.426 2.100 20 30 FEEDRO CCC(=O)N[C@@H]1CCC[N@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000491077011 561442497 /nfs/dbraw/zinc/44/24/97/561442497.db2.gz KWXXROPYWDTDBV-GOSISDBHSA-N 1 0 351.454 2.449 20 30 FEEDRO C=CCN1C(=S)N=NC1c1sc(NC(=O)C=CC[NH+](C)C)nc1C ZINC000265662249 550013272 /nfs/dbraw/zinc/01/32/72/550013272.db2.gz DUJYGZSCDANSAW-VOTSOKGWSA-N 1 0 364.500 2.241 20 30 FEEDRO Cc1ccc(-n2nc(CCCNC(=[NH2+])NCC(C)C)c(C#N)c2N)cc1 ZINC000267413055 550030898 /nfs/dbraw/zinc/03/08/98/550030898.db2.gz IURTXENGTCZWAI-UHFFFAOYSA-N 1 0 353.474 2.128 20 30 FEEDRO COc1ccc(CCNC(=[NH2+])NCCCc2ccc(O)cc2)cc1OC ZINC000267415671 550030924 /nfs/dbraw/zinc/03/09/24/550030924.db2.gz JEYZYWOZRUBXMG-UHFFFAOYSA-N 1 0 357.454 2.489 20 30 FEEDRO CCOC(=O)N1CCC(NC(=[NH2+])NC[C@H](C)Cc2cccs2)CC1 ZINC000267421268 550030996 /nfs/dbraw/zinc/03/09/96/550030996.db2.gz KMDMZGUJZUIONX-CYBMUJFWSA-N 1 0 352.504 2.452 20 30 FEEDRO N#Cc1cnc(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)c(Cl)c1 ZINC000491835419 561447740 /nfs/dbraw/zinc/44/77/40/561447740.db2.gz OWCCKIPWPQGHFO-HZPDHXFCSA-N 1 0 362.861 2.104 20 30 FEEDRO C=CCC[C@H](NC(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O)c1ccccc1 ZINC000269335439 550182197 /nfs/dbraw/zinc/18/21/97/550182197.db2.gz DJKAHVBLFWTHHU-ROUUACIJSA-N 1 0 358.486 2.333 20 30 FEEDRO Cn1ccnc1[C@](O)(CC[NH2+]Cc1ccc(C#N)cc1F)C(F)(F)F ZINC000269388325 550189769 /nfs/dbraw/zinc/18/97/69/550189769.db2.gz BOFKVDDCYCYHET-OAHLLOKOSA-N 1 0 356.323 2.361 20 30 FEEDRO CC[N@H+](CC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1)C1CC1 ZINC000269691259 550217271 /nfs/dbraw/zinc/21/72/71/550217271.db2.gz OHPYWPPXEZEQJE-UHFFFAOYSA-N 1 0 354.454 2.220 20 30 FEEDRO N#Cc1ccc2c(c1)N(C(=O)C(=O)NCCCCC[NH+]1CCCCC1)CC2 ZINC000270153029 550252497 /nfs/dbraw/zinc/25/24/97/550252497.db2.gz GPWGSOFDKUCHPY-UHFFFAOYSA-N 1 0 368.481 2.220 20 30 FEEDRO C[NH+]1CCC([C@@H]2CCN(S(=O)(=O)c3c(F)cc(C#N)cc3F)C2)CC1 ZINC000270280581 550258984 /nfs/dbraw/zinc/25/89/84/550258984.db2.gz XYNIOPBYCNKARE-CQSZACIVSA-N 1 0 369.437 2.189 20 30 FEEDRO CCOc1ccc([C@@H](C)[NH2+]CCNC(=O)C2N=CC=CC2=O)cc1[N+](=O)[O-] ZINC000271432245 550374986 /nfs/dbraw/zinc/37/49/86/550374986.db2.gz DYUUHILFOUAEDK-NUMWXTGKSA-N 1 0 374.397 2.171 20 30 FEEDRO C[C@@H]([NH2+]C[C@H](O)COc1ccc(C#N)cc1)c1ccc2c(c1)CC(=O)N2C ZINC000271846172 550405772 /nfs/dbraw/zinc/40/57/72/550405772.db2.gz QQLJIQRPDVGYHM-KDOFPFPSSA-N 1 0 365.433 2.168 20 30 FEEDRO C=CCS(=O)(=O)CCNC(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000272856443 550473583 /nfs/dbraw/zinc/47/35/83/550473583.db2.gz OWALUQZHDALFPF-OAHLLOKOSA-N 1 0 367.515 2.016 20 30 FEEDRO C[C@H](NC(=O)N1CCN(c2cccc(F)c2C#N)CC1)C1=CC[N@H+](C)CC1 ZINC000272850722 550473635 /nfs/dbraw/zinc/47/36/35/550473635.db2.gz HHXLKNBLZQCDSE-HNNXBMFYSA-N 1 0 371.460 2.179 20 30 FEEDRO C=CCS(=O)(=O)CC[NH2+][C@@H](C)c1ccc(OCc2nccn2C)cc1 ZINC000272871275 550474584 /nfs/dbraw/zinc/47/45/84/550474584.db2.gz OQIDNXLCCUPWJB-HNNXBMFYSA-N 1 0 363.483 2.251 20 30 FEEDRO C=C(C)CN(CC)C(=O)C[NH2+][C@H](CO)c1ccc(Br)cc1 ZINC000273050077 550482490 /nfs/dbraw/zinc/48/24/90/550482490.db2.gz FJHOFEXPBQMSTG-OAHLLOKOSA-N 1 0 355.276 2.497 20 30 FEEDRO CCOC(=O)N1CCC(NC(=[NH2+])NC[C@@H](C)c2nc(C)cs2)CC1 ZINC000273464608 550499420 /nfs/dbraw/zinc/49/94/20/550499420.db2.gz IHOMVYBWXAIRBH-LLVKDONJSA-N 1 0 353.492 2.080 20 30 FEEDRO CCO[C@@H]1C[C@@H](NC(=[NH2+])Nc2ccc(OC)c(OC)c2)C12CCOCC2 ZINC000274402759 550536105 /nfs/dbraw/zinc/53/61/05/550536105.db2.gz DYFSGVMYXSFJFD-IAGOWNOFSA-N 1 0 363.458 2.405 20 30 FEEDRO CCC(C)(C)[NH2+][C@@H](C)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000274921183 550565047 /nfs/dbraw/zinc/56/50/47/550565047.db2.gz LHFSWTADNCIPFW-WMLDXEAASA-N 1 0 356.470 2.337 20 30 FEEDRO Cc1cccc(N(CCC#N)C(=O)C[N@H+](CCO)C2CCOCC2)c1C ZINC000275525618 550572689 /nfs/dbraw/zinc/57/26/89/550572689.db2.gz JOXNDRWWSIRIID-UHFFFAOYSA-N 1 0 359.470 2.023 20 30 FEEDRO C#CCN(Cc1ccc(F)cc1)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000277854524 550721660 /nfs/dbraw/zinc/72/16/60/550721660.db2.gz YYTBXDJYVHMWSL-QGZVFWFLSA-N 1 0 361.461 2.471 20 30 FEEDRO CCn1nccc1[C@@H]1OCC[C@H]1CNC(=[NH2+])NCCc1ccc(OC)cc1 ZINC000277933236 550730492 /nfs/dbraw/zinc/73/04/92/550730492.db2.gz IAWNSVFIBRSRTL-QFBILLFUSA-N 1 0 371.485 2.136 20 30 FEEDRO CC[C@H]([NH2+]Cc1ccc(C(=O)NCC(N)=O)cc1)c1ccc(C#N)cc1 ZINC000278351274 550776097 /nfs/dbraw/zinc/77/60/97/550776097.db2.gz ZGZSCHPOQRPIGA-SFHVURJKSA-N 1 0 350.422 2.014 20 30 FEEDRO C#CCOc1ccccc1C[NH+]1CCC(c2nc(C(=O)OCC)n[nH]2)CC1 ZINC000278575219 550800730 /nfs/dbraw/zinc/80/07/30/550800730.db2.gz CNRYPCISEPEUJL-UHFFFAOYSA-N 1 0 368.437 2.373 20 30 FEEDRO CC(C)(C)N1C[C@@H]([NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)CC1=O ZINC000278697385 550812527 /nfs/dbraw/zinc/81/25/27/550812527.db2.gz QOQHYWQBDAFQSM-KRWDZBQOSA-N 1 0 366.469 2.348 20 30 FEEDRO C[C@@H]1CN(CC(=O)N(CCC#N)c2ccccc2)CC2(CCOCC2)O1 ZINC000279140302 550858067 /nfs/dbraw/zinc/85/80/67/550858067.db2.gz YAYMVXPOFGXJDQ-QGZVFWFLSA-N 1 0 357.454 2.203 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)cc1 ZINC000279278343 550872757 /nfs/dbraw/zinc/87/27/57/550872757.db2.gz ODDAWOKVLGOILI-KSZLIROESA-N 1 0 360.479 2.269 20 30 FEEDRO C=C(C)CN(Cc1ccccc1)C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000279809898 550931640 /nfs/dbraw/zinc/93/16/40/550931640.db2.gz FQHCWJMQJPLREM-SFHVURJKSA-N 1 0 358.486 2.114 20 30 FEEDRO C#CCn1ccc(CN(CC)[C@H](C)C(=O)Nc2cccc(NC(C)=O)c2)n1 ZINC000279832938 550933779 /nfs/dbraw/zinc/93/37/79/550933779.db2.gz ZRPZSEIGXUXMRV-OAHLLOKOSA-N 1 0 367.453 2.324 20 30 FEEDRO CC(C)[C@](C)(C#N)NC(=O)CN1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000280518092 551003004 /nfs/dbraw/zinc/00/30/04/551003004.db2.gz RRVPPWZLGSTJJI-ZVDOUQERSA-N 1 0 354.498 2.105 20 30 FEEDRO N#Cc1cccc(NC(=O)C(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)c1 ZINC000280889488 551042835 /nfs/dbraw/zinc/04/28/35/551042835.db2.gz FGHVRNRASWRGAE-GOSISDBHSA-N 1 0 354.454 2.410 20 30 FEEDRO COc1ccc([C@H](C)[C@@H](C)[NH2+]CCNC(=O)C2N=CC=CC2=O)cc1OC ZINC000280941154 551047881 /nfs/dbraw/zinc/04/78/81/551047881.db2.gz QVVAQDYDIZULQJ-UNCPIFPISA-N 1 0 373.453 2.312 20 30 FEEDRO Cc1oc(C#N)cc1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000281012792 551055015 /nfs/dbraw/zinc/05/50/15/551055015.db2.gz HKXPFKYUGIEORK-VQIMIIECSA-N 1 0 353.422 2.073 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(C(N)=S)cc1 ZINC000281170112 551070186 /nfs/dbraw/zinc/07/01/86/551070186.db2.gz ITRYPMLKDUKUFM-UHFFFAOYSA-N 1 0 366.490 2.396 20 30 FEEDRO CCN(CCC[NH+](C)C)S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000281438691 551097403 /nfs/dbraw/zinc/09/74/03/551097403.db2.gz JXIXSSHFQMPMDX-UHFFFAOYSA-N 1 0 374.304 2.283 20 30 FEEDRO C=CCN1CC[C@H]([N@H+](C)CCC(=O)N[C@@H]2CCCc3ccccc32)C1=O ZINC000281442961 551098137 /nfs/dbraw/zinc/09/81/37/551098137.db2.gz UBSRSRCHRCWFNH-MOPGFXCFSA-N 1 0 355.482 2.289 20 30 FEEDRO C=CCN(CCc1ccco1)C(=O)c1cccc(N2CC[NH+](C)CC2)n1 ZINC000496707410 561495367 /nfs/dbraw/zinc/49/53/67/561495367.db2.gz NRWHLBXRFLVIPM-UHFFFAOYSA-N 1 0 354.454 2.297 20 30 FEEDRO CC[C@@H]([NH2+]CCCC1(C#N)CCOCC1)c1cccc(S(N)(=O)=O)c1 ZINC000281927836 551159295 /nfs/dbraw/zinc/15/92/95/551159295.db2.gz HTJRJGTWVODAOS-QGZVFWFLSA-N 1 0 365.499 2.475 20 30 FEEDRO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000497383662 561499914 /nfs/dbraw/zinc/49/99/14/561499914.db2.gz DZYOSGQJHYBNFJ-TVKQPGBESA-N 1 0 364.534 2.446 20 30 FEEDRO CS(=O)(=O)N1CCC(N(Cc2ccc(C#N)cc2)CC(F)F)CC1 ZINC000282433334 551227886 /nfs/dbraw/zinc/22/78/86/551227886.db2.gz KHIFRXBIMDFVKI-UHFFFAOYSA-N 1 0 357.426 2.049 20 30 FEEDRO C[C@H](CC#N)N(C)S(=O)(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000282551233 551245572 /nfs/dbraw/zinc/24/55/72/551245572.db2.gz CNMVKNNESJSMKN-DOMZBBRYSA-N 1 0 358.895 2.011 20 30 FEEDRO C#Cc1cc(F)c(NC(=O)C(=O)N2CC[C@@H](C[NH+](CC)CC)C2)c(F)c1 ZINC000283224626 551332204 /nfs/dbraw/zinc/33/22/04/551332204.db2.gz JKSYRFZPHYDIIX-AWEZNQCLSA-N 1 0 363.408 2.075 20 30 FEEDRO CCOC(=O)c1cnn(C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)c1C#N ZINC000283791622 551427965 /nfs/dbraw/zinc/42/79/65/551427965.db2.gz FVYSNWKZUMSERY-QGZVFWFLSA-N 1 0 368.437 2.223 20 30 FEEDRO COCCn1cc(CNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)cn1 ZINC000283974864 551460549 /nfs/dbraw/zinc/46/05/49/551460549.db2.gz XRAWQXHDUMEKHG-UHFFFAOYSA-N 1 0 357.336 2.355 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N(CC)Cc1ccncc1)C(C)C ZINC000284080067 551480213 /nfs/dbraw/zinc/48/02/13/551480213.db2.gz OIKHLTLCUOOWTI-IBGZPJMESA-N 1 0 372.513 2.245 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N(C)[C@H](C)c1ccccn1)C(C)C ZINC000284097577 551483086 /nfs/dbraw/zinc/48/30/86/551483086.db2.gz PKHFVBURNUQLDS-MJGOQNOKSA-N 1 0 372.513 2.416 20 30 FEEDRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)C(=O)NCCCCC#N ZINC000284379501 551536641 /nfs/dbraw/zinc/53/66/41/551536641.db2.gz GZIYQLXSFWVIPK-KRWDZBQOSA-N 1 0 370.497 2.487 20 30 FEEDRO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@H](C)c1ccc(S(=O)(=O)CC)cc1 ZINC000284649560 551598728 /nfs/dbraw/zinc/59/87/28/551598728.db2.gz FCECCTACPFQHBL-HUUCEWRRSA-N 1 0 365.499 2.139 20 30 FEEDRO CC[N@@H+]1C[C@H](C)N(C(=O)CCc2c(C)nc3c(C#N)cnn3c2C)C[C@@H]1C ZINC000498584263 561529467 /nfs/dbraw/zinc/52/94/67/561529467.db2.gz QITQNYSJYKTOQG-KBPBESRZSA-N 1 0 368.485 2.092 20 30 FEEDRO CCOC1CC(CON=C(N)c2ccccc2C[NH+]2CCC(O)CC2)C1 ZINC000285279475 551731207 /nfs/dbraw/zinc/73/12/07/551731207.db2.gz UFFXIYOGULJGFG-UHFFFAOYSA-N 1 0 361.486 2.095 20 30 FEEDRO COC[C@@](C)(C#N)NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC000285589348 551779396 /nfs/dbraw/zinc/77/93/96/551779396.db2.gz HSSKIPZLSVVWPJ-NVXWUHKLSA-N 1 0 351.397 2.189 20 30 FEEDRO CC[N@@H+]1C[C@H](C)N(CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C[C@H]1C ZINC000498941392 561538748 /nfs/dbraw/zinc/53/87/48/561538748.db2.gz YZRKWIBSKGXARC-CVEARBPZSA-N 1 0 366.469 2.097 20 30 FEEDRO CC(C)N(Cc1ccc(C#N)cc1)C(=O)C(=O)NCCC1CC[NH+](C)CC1 ZINC000286137472 551853061 /nfs/dbraw/zinc/85/30/61/551853061.db2.gz YRMTYPUTISOWKC-UHFFFAOYSA-N 1 0 370.497 2.143 20 30 FEEDRO COCC[NH+](CCOC)C1CCN(c2c(C#N)nnc3ccccc32)CC1 ZINC000286244110 551865114 /nfs/dbraw/zinc/86/51/14/551865114.db2.gz DLJXCMNDEIJRTM-UHFFFAOYSA-N 1 0 369.469 2.065 20 30 FEEDRO COCC[NH+](CCOC)C1CCN(c2nc3c(cc2C#N)CCC3)CC1 ZINC000286312643 551872916 /nfs/dbraw/zinc/87/29/16/551872916.db2.gz JBWUNLRRDJXUGW-UHFFFAOYSA-N 1 0 358.486 2.006 20 30 FEEDRO C[N@H+](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)[C@@H]1CCC[C@H]1O ZINC000286379612 551881094 /nfs/dbraw/zinc/88/10/94/551881094.db2.gz GOEJLLNCUVRXGQ-HZPDHXFCSA-N 1 0 354.372 2.018 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N(C)CCCCc2ccccc2)CC1 ZINC000286494999 551892567 /nfs/dbraw/zinc/89/25/67/551892567.db2.gz KAXKMNMHISJOOX-UHFFFAOYSA-N 1 0 357.498 2.234 20 30 FEEDRO C=CCCN(C)C(=O)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000286816363 551929079 /nfs/dbraw/zinc/92/90/79/551929079.db2.gz ANJUPJOVUNOUAC-YQQQUEKLSA-N 1 0 355.482 2.333 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N2CCC(c3ccsc3)CC2)CC1 ZINC000286831909 551931033 /nfs/dbraw/zinc/93/10/33/551931033.db2.gz XGSNAJPIGVFREK-UHFFFAOYSA-N 1 0 361.511 2.221 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCCC[C@@H]2c2cccn2C)CC1 ZINC000286836225 551931541 /nfs/dbraw/zinc/93/15/41/551931541.db2.gz XVHVOCLFKQNYLS-LJQANCHMSA-N 1 0 372.513 2.235 20 30 FEEDRO CCn1cc(CNC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cn1 ZINC000287058766 551957827 /nfs/dbraw/zinc/95/78/27/551957827.db2.gz UTYLTNKVYNLROB-UHFFFAOYSA-N 1 0 366.469 2.192 20 30 FEEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000287099803 551963221 /nfs/dbraw/zinc/96/32/21/551963221.db2.gz JCCXRLGKXRHOAB-ZWKOTPCHSA-N 1 0 373.497 2.199 20 30 FEEDRO C[NH+](C)CCOc1ccccc1N1CCN(c2cc(C#N)ccn2)CC1 ZINC000287165585 551971768 /nfs/dbraw/zinc/97/17/68/551971768.db2.gz FWRUHQMIXZGTES-UHFFFAOYSA-N 1 0 351.454 2.220 20 30 FEEDRO CC(C)N(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000287286168 551985374 /nfs/dbraw/zinc/98/53/74/551985374.db2.gz UJRXEXGQVSGZNT-RBUKOAKNSA-N 1 0 370.497 2.284 20 30 FEEDRO C[C@H](c1cccnc1)N1CCN(c2cc(N)c([N+](=O)[O-])c(C#N)c2)CC1 ZINC000287292080 551985887 /nfs/dbraw/zinc/98/58/87/551985887.db2.gz MGYPRNULQJADRX-CYBMUJFWSA-N 1 0 352.398 2.327 20 30 FEEDRO CC[NH+]1CCN([C@H]2CCN(c3nc4cc(Cl)ccn4c3C#N)C2)CC1 ZINC000287436454 552003744 /nfs/dbraw/zinc/00/37/44/552003744.db2.gz QWQIQGFJFJPTHF-HNNXBMFYSA-N 1 0 358.877 2.076 20 30 FEEDRO C[C@@H](NC(=O)CC1CCCCC1)C(=O)N(CCC#N)CCC[NH+](C)C ZINC000499345355 561549476 /nfs/dbraw/zinc/54/94/76/561549476.db2.gz RODCCIKGIBLJDM-MRXNPFEDSA-N 1 0 350.507 2.155 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N2C[C@H](c3ccccc3)[C@@H]3COCC[C@@H]32)CC1 ZINC000287700465 552035861 /nfs/dbraw/zinc/03/58/61/552035861.db2.gz DZGQXKGOBBCEPO-HKBOAZHASA-N 1 0 352.478 2.363 20 30 FEEDRO CC[C@H](CNC(=O)Cc1noc(C)c1C#N)[N@@H+]1CCc2ccccc2C1 ZINC000499542696 561553261 /nfs/dbraw/zinc/55/32/61/561553261.db2.gz VPBMHLLKAMXBNB-QGZVFWFLSA-N 1 0 352.438 2.350 20 30 FEEDRO C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)[C@H]1C ZINC000288125072 552095461 /nfs/dbraw/zinc/09/54/61/552095461.db2.gz KGVBLRMTURHSRM-INMHGKMJSA-N 1 0 370.453 2.001 20 30 FEEDRO C[NH+](C)CC1(NS(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)CCC1 ZINC000499644365 561555200 /nfs/dbraw/zinc/55/52/00/561555200.db2.gz FBXZDRPCZZOWHN-UHFFFAOYSA-N 1 0 361.389 2.340 20 30 FEEDRO CC[NH+](CC)CCOc1ccc(CNC(=O)Cc2noc(C)c2C#N)cc1 ZINC000499775706 561558125 /nfs/dbraw/zinc/55/81/25/561558125.db2.gz LPJVEHNVJDYVPS-UHFFFAOYSA-N 1 0 370.453 2.434 20 30 FEEDRO Cc1onc(CC(=O)N[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1C#N ZINC000500075733 561565469 /nfs/dbraw/zinc/56/54/69/561565469.db2.gz NVPBYRBLKPMPLI-YOEHRIQHSA-N 1 0 352.438 2.424 20 30 FEEDRO C=CCCCCNC(=O)C(=O)N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000289244379 552288086 /nfs/dbraw/zinc/28/80/86/552288086.db2.gz VCXSMLKVYRUXTF-IEBWSBKVSA-N 1 0 357.498 2.486 20 30 FEEDRO C=CCOc1ccc(C[NH+]2CCC3(CC2)NC(=O)N(C)C3=O)cc1Cl ZINC000289388375 552313020 /nfs/dbraw/zinc/31/30/20/552313020.db2.gz DMLZQRMRXGFYCN-UHFFFAOYSA-N 1 0 363.845 2.421 20 30 FEEDRO C[C@@H](NS(=O)(=O)c1cncc(C#N)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000289462184 552325363 /nfs/dbraw/zinc/32/53/63/552325363.db2.gz MDDMAVSRTSLTHZ-QAPCUYQASA-N 1 0 370.478 2.142 20 30 FEEDRO C=CCOc1ccc(C[N@@H+]2CCC[C@@H]2C[C@@]2(C)NC(=O)NC2=O)cc1OC ZINC000289570268 552342850 /nfs/dbraw/zinc/34/28/50/552342850.db2.gz JMKNINBYVCHRIE-FOIQADDNSA-N 1 0 373.453 2.213 20 30 FEEDRO C=CCc1cc(C[N@@H+]2CCC[C@@H]2C[C@]2(C)NC(=O)NC2=O)cc(OC)c1O ZINC000289838808 552386756 /nfs/dbraw/zinc/38/67/56/552386756.db2.gz UNCDDDIVSHMYFP-QRWLVFNGSA-N 1 0 373.453 2.082 20 30 FEEDRO C=CCn1c([C@H]2COc3ccccc3O2)nnc1N1CC[NH+](CC)CC1 ZINC000290051976 552420185 /nfs/dbraw/zinc/42/01/85/552420185.db2.gz BBTZKNVJUWGZJL-QGZVFWFLSA-N 1 0 355.442 2.119 20 30 FEEDRO N#Cc1cccc(OC2CCN(c3cc(-n4cccn4)nc(N)[nH+]3)CC2)c1 ZINC000290475650 552484784 /nfs/dbraw/zinc/48/47/84/552484784.db2.gz ATTJTVFQZQXVHR-UHFFFAOYSA-N 1 0 361.409 2.164 20 30 FEEDRO C=CCN(CCc1ccco1)C(=O)C(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000290534435 552494463 /nfs/dbraw/zinc/49/44/63/552494463.db2.gz OIOACSBDLPPDEI-KRWDZBQOSA-N 1 0 361.486 2.217 20 30 FEEDRO C[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccc(C#N)c(F)c2)[C@H]1c1ccccc1 ZINC000290895124 552557367 /nfs/dbraw/zinc/55/73/67/552557367.db2.gz VGDIMYYGGTXZHV-QZTJIDSGSA-N 1 0 366.396 2.197 20 30 FEEDRO CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[N@H+](CC)CC1 ZINC000291057273 552581601 /nfs/dbraw/zinc/58/16/01/552581601.db2.gz QZBYFSDWLHSOEV-UHFFFAOYSA-N 1 0 354.458 2.281 20 30 FEEDRO C=C[C@@H](CO)[NH2+]Cc1cc(Br)cc(Br)c1N ZINC000291440311 552624832 /nfs/dbraw/zinc/62/48/32/552624832.db2.gz BUGYACHZVYEZTK-VIFPVBQESA-N 1 0 350.054 2.430 20 30 FEEDRO CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCC([C@H](O)c2ccc(OC)cc2)CC1 ZINC000291863645 552669654 /nfs/dbraw/zinc/66/96/54/552669654.db2.gz PKYFBQFDINJZRJ-HRAATJIYSA-N 1 0 373.497 2.449 20 30 FEEDRO C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CC[C@@H](n3cccn3)C2)c(OC)c1 ZINC000292014051 552684735 /nfs/dbraw/zinc/68/47/35/552684735.db2.gz XXUXJAWFWXBIMH-MSOLQXFVSA-N 1 0 357.454 2.307 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)NCCc1nnc(C)s1)C(C)C ZINC000292094839 552693321 /nfs/dbraw/zinc/69/33/21/552693321.db2.gz VBZCMEMLXIUIQO-HNNXBMFYSA-N 1 0 351.520 2.387 20 30 FEEDRO O=C(NCC[NH2+][C@@H](C[C@H]1CCOC1)c1ccc(F)cc1)C1N=CC=CC1=O ZINC000292224005 552706233 /nfs/dbraw/zinc/70/62/33/552706233.db2.gz QRYUZXXWRLNSTP-CLOLTHTBSA-N 1 0 373.428 2.409 20 30 FEEDRO C[N@@H+]1CC[C@]2(CCN(C(=O)CCC(=O)N(CCC#N)c3ccccc3)C2)C1 ZINC000292599704 552741691 /nfs/dbraw/zinc/74/16/91/552741691.db2.gz RPJGVGPICDPZAT-NRFANRHFSA-N 1 0 368.481 2.268 20 30 FEEDRO C[C@H]1C[NH+](CCCNC(=O)c2cnc(C(F)(F)F)c(C#N)c2)C[C@H](C)O1 ZINC000293040018 552783104 /nfs/dbraw/zinc/78/31/04/552783104.db2.gz KRWYUIKXOWVNEZ-RYUDHWBXSA-N 1 0 370.375 2.201 20 30 FEEDRO C[NH+](C)CC[C@@H](NC(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1)C(C)(C)C ZINC000293206734 552799062 /nfs/dbraw/zinc/79/90/62/552799062.db2.gz ZQWKLGNZAHFDJW-DLBZAZTESA-N 1 0 373.501 2.482 20 30 FEEDRO CS[C@@H]1CN(C(=O)c2cc(C#N)cc(N(C)C)c2)C[C@@H]1[NH+]1CCCC1 ZINC000293514580 552831609 /nfs/dbraw/zinc/83/16/09/552831609.db2.gz OCHZZEAEBKOWCR-ZWKOTPCHSA-N 1 0 358.511 2.276 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)c1cccc(-c2noc(C(F)(F)F)n2)c1 ZINC000293925137 552868541 /nfs/dbraw/zinc/86/85/41/552868541.db2.gz HIVJKAQABVRMLH-UHFFFAOYSA-N 1 0 366.343 2.440 20 30 FEEDRO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)[C@]2(C#N)CC23CCCC3)c1 ZINC000294576424 552917079 /nfs/dbraw/zinc/91/70/79/552917079.db2.gz MCJLZIRRRUKPSA-OAQYLSRUSA-N 1 0 368.481 2.068 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)CC1 ZINC000294766324 552932554 /nfs/dbraw/zinc/93/25/54/552932554.db2.gz BNPJBRBQASVBLG-UHFFFAOYSA-N 1 0 350.394 2.180 20 30 FEEDRO C=CCOc1ccc(CC(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)cc1 ZINC000294809911 552935611 /nfs/dbraw/zinc/93/56/11/552935611.db2.gz VELMVGKHTPRNQN-UHFFFAOYSA-N 1 0 371.525 2.469 20 30 FEEDRO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@H](CC(C)(C)C(N)=O)C1 ZINC000295085565 552957587 /nfs/dbraw/zinc/95/75/87/552957587.db2.gz BLIIJTAIKSLZSH-GOEBONIOSA-N 1 0 356.470 2.499 20 30 FEEDRO CN(CC[C@@H]1CCCC[N@@H+]1C)S(=O)(=O)Cc1ccc(F)cc1C#N ZINC000295250320 552975714 /nfs/dbraw/zinc/97/57/14/552975714.db2.gz QKGCLTWWBREUSM-KRWDZBQOSA-N 1 0 353.463 2.333 20 30 FEEDRO N#Cc1cc(F)ccc1CS(=O)(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000295716033 553049029 /nfs/dbraw/zinc/04/90/29/553049029.db2.gz VAFZSMZORZILFL-GOSISDBHSA-N 1 0 365.474 2.477 20 30 FEEDRO CC[NH+]1CCN(CCCNc2ncc(Br)cc2C#N)CC1 ZINC000296278327 553134267 /nfs/dbraw/zinc/13/42/67/553134267.db2.gz HBOOXQBVAHRKDQ-UHFFFAOYSA-N 1 0 352.280 2.155 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC[C@@H](Cn2ccnn2)C1)C(C)C ZINC000502629238 561622518 /nfs/dbraw/zinc/62/25/18/561622518.db2.gz AYXTTWPSRAZZRO-RTBURBONSA-N 1 0 374.533 2.398 20 30 FEEDRO C#CC[N@@H+](C)CCCNC(=O)N[C@H](C)c1cc(OC)c(OC)cc1F ZINC000296446926 553161166 /nfs/dbraw/zinc/16/11/66/553161166.db2.gz OUBSGKLAQCJQEM-CYBMUJFWSA-N 1 0 351.422 2.158 20 30 FEEDRO CO[C@H](Cc1ccccc1)C[N@@H+]1CCN(c2nccnc2C#N)C[C@H]1C ZINC000296723376 553203102 /nfs/dbraw/zinc/20/31/02/553203102.db2.gz HRTTTXJJKQZFDU-SJLPKXTDSA-N 1 0 351.454 2.116 20 30 FEEDRO C[N@@H+]1CC[C@]2(CCN(C(=O)C(=O)Nc3sc(C(C)(C)C)cc3C#N)C2)C1 ZINC000296845868 553219297 /nfs/dbraw/zinc/21/92/97/553219297.db2.gz IYGLIIZXQGZJGZ-IBGZPJMESA-N 1 0 374.510 2.410 20 30 FEEDRO CCOc1ccc(N(CCC#N)C(=O)C[NH2+][C@H]2CCC[C@H]2CCO)cc1 ZINC000502855184 561627886 /nfs/dbraw/zinc/62/78/86/561627886.db2.gz KCQVGAIJODXJSQ-LPHOPBHVSA-N 1 0 359.470 2.473 20 30 FEEDRO Cc1nsc(NC(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)c1C#N ZINC000297402598 553288020 /nfs/dbraw/zinc/28/80/20/553288020.db2.gz KNXLRLVJOHVCOQ-GJZGRUSLSA-N 1 0 363.487 2.213 20 30 FEEDRO Cc1nsc(NC(=O)NCc2ccncc2OCCC[NH+](C)C)c1C#N ZINC000297472781 553297009 /nfs/dbraw/zinc/29/70/09/553297009.db2.gz RHXGPIOWEWVSRS-UHFFFAOYSA-N 1 0 374.470 2.370 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1ccnc1 ZINC000297509520 553301882 /nfs/dbraw/zinc/30/18/82/553301882.db2.gz OYYMDWYJIDIQOA-WOJBJXKFSA-N 1 0 365.481 2.366 20 30 FEEDRO N#CC1(CCC[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)CCOCC1 ZINC000298132617 553388281 /nfs/dbraw/zinc/38/82/81/553388281.db2.gz QFBNMUNLJSHFEP-UHFFFAOYSA-N 1 0 359.430 2.212 20 30 FEEDRO C[C@H](O)CNc1cc(N2CCC(Oc3cccc(C#N)c3)CC2)ncn1 ZINC000298323639 553412307 /nfs/dbraw/zinc/41/23/07/553412307.db2.gz RMDVIAMWKXRCLH-AWEZNQCLSA-N 1 0 353.426 2.189 20 30 FEEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000298614279 553449307 /nfs/dbraw/zinc/44/93/07/553449307.db2.gz RQWKNRXVSLBMKY-GOSISDBHSA-N 1 0 373.497 2.010 20 30 FEEDRO C=CCc1cc(C(=O)NC2CC[NH+](CCOC)CC2)cc(OC)c1OC ZINC000299242788 553535990 /nfs/dbraw/zinc/53/59/90/553535990.db2.gz OZPOTPXIIFQNET-UHFFFAOYSA-N 1 0 362.470 2.273 20 30 FEEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)Cn1cnc2ccccc21 ZINC000299376907 553555075 /nfs/dbraw/zinc/55/50/75/553555075.db2.gz XVDUSYHSPJHKHP-UHFFFAOYSA-N 1 0 361.449 2.498 20 30 FEEDRO C=CCCc1ccccc1NC(=O)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000504413421 561657780 /nfs/dbraw/zinc/65/77/80/561657780.db2.gz JYIJCFAAIMSVHP-QGZVFWFLSA-N 1 0 373.497 2.361 20 30 FEEDRO N#Cc1cc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)c2ccccc2n1 ZINC000301352060 553644417 /nfs/dbraw/zinc/64/44/17/553644417.db2.gz NDRIWSXUCPSIOD-UHFFFAOYSA-N 1 0 363.465 2.241 20 30 FEEDRO CC[NH+]1CCN([C@@H](C)CNc2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000301520637 553657612 /nfs/dbraw/zinc/65/76/12/553657612.db2.gz LDPJNWLVMBLSKZ-AWEZNQCLSA-N 1 0 368.441 2.453 20 30 FEEDRO Cc1cc(NC(=O)N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)ncc1C#N ZINC000603114195 553710863 /nfs/dbraw/zinc/71/08/63/553710863.db2.gz SEPWTNHHZALULJ-UHFFFAOYSA-N 1 0 370.501 2.143 20 30 FEEDRO N#Cc1cccc(C#N)c1N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000302712441 553727992 /nfs/dbraw/zinc/72/79/92/553727992.db2.gz XHWZAHQONDNSHE-UHFFFAOYSA-N 1 0 365.481 2.248 20 30 FEEDRO Cc1cccc(OC[C@H](O)CNC(=[NH2+])N[C@@H]2CCOc3ccccc32)c1 ZINC000304518021 553747410 /nfs/dbraw/zinc/74/74/10/553747410.db2.gz WKKZVJNZXLZEKK-CRAIPNDOSA-N 1 0 355.438 2.163 20 30 FEEDRO N#Cc1cnc(N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)c2sccc21 ZINC000603421770 553784322 /nfs/dbraw/zinc/78/43/22/553784322.db2.gz BXWUJTYXQPZFGJ-INIZCTEOSA-N 1 0 371.510 2.376 20 30 FEEDRO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CCC[C@@H]2[C@@H]2CCCC[C@@H]2O)c1 ZINC000328473158 553793937 /nfs/dbraw/zinc/79/39/37/553793937.db2.gz DSWYAOJZHBNVJD-OTWHNJEPSA-N 1 0 362.495 2.347 20 30 FEEDRO O=C(Nc1cccc(C(=O)N2CCCC2)c1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000328598010 553794681 /nfs/dbraw/zinc/79/46/81/553794681.db2.gz AUXORWWHXDLOOF-SFHVURJKSA-N 1 0 354.454 2.414 20 30 FEEDRO O=C(N[C@@H]1CCCC12CCOCC2)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000328668533 553804614 /nfs/dbraw/zinc/80/46/14/553804614.db2.gz DSTAFISKFFESOU-QZTJIDSGSA-N 1 0 365.518 2.294 20 30 FEEDRO C[C@@H]1CC(CNC(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)C[C@@H](C)O1 ZINC000328666183 553804621 /nfs/dbraw/zinc/80/46/21/553804621.db2.gz CLFYDHQGNKDJKV-BRWVUGGUSA-N 1 0 353.507 2.148 20 30 FEEDRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)N1C[C@@H]2COC[C@H](C1)O2 ZINC000328698406 553808644 /nfs/dbraw/zinc/80/86/44/553808644.db2.gz LTQVESDBARUBGO-RWQQGDIJSA-N 1 0 373.497 2.157 20 30 FEEDRO CN1CCN(C(=O)CC[NH+]2CCC(C(=O)NCc3ccccc3)CC2)CC1 ZINC000328699090 553809344 /nfs/dbraw/zinc/80/93/44/553809344.db2.gz VJXZUCPCLZHNIG-UHFFFAOYSA-N 1 0 372.513 2.019 20 30 FEEDRO O=C(C[NH2+][C@@H]1CCC(=O)NC12CCC2)NC[C@H]1COc2ccccc2O1 ZINC000328722271 553812673 /nfs/dbraw/zinc/81/26/73/553812673.db2.gz XKRUGVKNGCSTMG-XJKSGUPXSA-N 1 0 359.426 2.414 20 30 FEEDRO O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)N1C[C@@H]2COC[C@H](C1)O2 ZINC000328734022 553813970 /nfs/dbraw/zinc/81/39/70/553813970.db2.gz JWJIAXVCKUMICK-WRPLRSBHSA-N 1 0 371.481 2.196 20 30 FEEDRO Cc1csc([C@@H]2CN(C(=O)N[C@@H]3C[N@H+](C4CC4)C[C@@H]3C)CCO2)n1 ZINC000328743704 553815521 /nfs/dbraw/zinc/81/55/21/553815521.db2.gz OMOCIRBJXWMHKY-GLQYFDAESA-N 1 0 350.488 2.222 20 30 FEEDRO CC[NH+]1CCC(NC(=O)CN2C(=O)Cn3c(cc4ccccc43)C2=O)CC1 ZINC000328761698 553818058 /nfs/dbraw/zinc/81/80/58/553818058.db2.gz YFLMZPOOTUQSAV-UHFFFAOYSA-N 1 0 368.437 2.065 20 30 FEEDRO CC(=O)N1CCCN(C(=O)N[C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)CC1 ZINC000328825199 553828578 /nfs/dbraw/zinc/82/85/78/553828578.db2.gz RUGRGNNXNZRZAZ-QFBILLFUSA-N 1 0 358.486 2.290 20 30 FEEDRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)Nc2ccc3c(c2)OCC(=O)N3)C1 ZINC000328837309 553830460 /nfs/dbraw/zinc/83/04/60/553830460.db2.gz NFRJOCWBAGHLJZ-AWEZNQCLSA-N 1 0 362.430 2.350 20 30 FEEDRO CC(=O)N1CC[C@@H](C[N@@H+](C)[C@@H](C)C(=O)Nc2ccc3c(c2)OCCO3)C1 ZINC000328861597 553834548 /nfs/dbraw/zinc/83/45/48/553834548.db2.gz VLWQUURZMCYJOQ-ZFWWWQNUSA-N 1 0 361.442 2.235 20 30 FEEDRO CCC[NH+]1CCC(CNC(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2ccnn2C)CC1 ZINC000328858661 553834692 /nfs/dbraw/zinc/83/46/92/553834692.db2.gz LADMBHOVVSGEEQ-QAPCUYQASA-N 1 0 361.490 2.018 20 30 FEEDRO Cc1cccc(C)c1OC[C@H](C)NC(=O)N1CC[C@@H]2OCCN(C)[C@@H]2C1 ZINC000328897739 553840593 /nfs/dbraw/zinc/84/05/93/553840593.db2.gz WHIPSAYXPOMWCF-KSZLIROESA-N 1 0 361.486 2.390 20 30 FEEDRO Cn1nccc1[C@@H]1OCC[C@H]1C[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000328959420 553853770 /nfs/dbraw/zinc/85/37/70/553853770.db2.gz OZALPEHJRUURLD-CEWLAPEOSA-N 1 0 365.481 2.380 20 30 FEEDRO Cn1nccc1[C@H]1[C@H](CNC(=O)N[C@@H]2CCCSC2)CCC[N@@H+]1C ZINC000328968397 553855625 /nfs/dbraw/zinc/85/56/25/553855625.db2.gz AJZYDJYMUHZYLM-SQWLQELKSA-N 1 0 351.520 2.202 20 30 FEEDRO CC1(CNC(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CCOCC1 ZINC000329014256 553864665 /nfs/dbraw/zinc/86/46/65/553864665.db2.gz FRXJFTCCWSDRKX-SJORKVTESA-N 1 0 353.507 2.075 20 30 FEEDRO Cc1csc([C@@H]2CN(CC(=O)NC3CC[NH+](C4CC4)CC3)CCO2)n1 ZINC000329022344 553866423 /nfs/dbraw/zinc/86/64/23/553866423.db2.gz TZVSPLIGUMINPR-INIZCTEOSA-N 1 0 364.515 2.408 20 30 FEEDRO CO[C@H]1C[C@@H](C(N)=O)N(C(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)C1 ZINC000329038011 553869084 /nfs/dbraw/zinc/86/90/84/553869084.db2.gz ZKTXULOIRXFTAG-PMPSAXMXSA-N 1 0 352.479 2.322 20 30 FEEDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2CCC[C@@H]2[C@@H]2COCC[C@]2(C)O)C1 ZINC000329045367 553870896 /nfs/dbraw/zinc/87/08/96/553870896.db2.gz JIMQMQNERFBYOX-RMJJICAUSA-N 1 0 367.534 2.130 20 30 FEEDRO CC(C)c1nc2n(n1)C[C@@H]([NH+]=C([O-])N1CCCC13CC[NH+](C)CC3)CC2 ZINC000329084297 553877620 /nfs/dbraw/zinc/87/76/20/553877620.db2.gz TVBHWRDLHSGTKY-HNNXBMFYSA-N 1 0 360.506 2.191 20 30 FEEDRO C[NH+]1CCC2(CCCN2C(=O)N[C@@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000329093671 553879130 /nfs/dbraw/zinc/87/91/30/553879130.db2.gz XMEQAMJKJDDHRM-QGZVFWFLSA-N 1 0 356.470 2.266 20 30 FEEDRO CO[C@@H]1CCC[C@@H]1[C@@H]1COCCN1C(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000329096805 553879605 /nfs/dbraw/zinc/87/96/05/553879605.db2.gz 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2.291 20 30 FEEDRO CCOC(=O)[C@]1(C(C)C)CCN(C(=O)N[C@H](C)C2=CC[N@H+](C)CC2)C1 ZINC000331282537 554241244 /nfs/dbraw/zinc/24/12/44/554241244.db2.gz DLEFSDCYYHIYCD-DNVCBOLYSA-N 1 0 351.491 2.462 20 30 FEEDRO C=CCn1c(C2CC2)nnc1N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000508823046 561774048 /nfs/dbraw/zinc/77/40/48/561774048.db2.gz BATONZGOZMUJON-UHFFFAOYSA-N 1 0 373.423 2.433 20 30 FEEDRO C=CCn1c(-c2ncccc2C)nnc1N1CC[NH+](CCOC(C)C)CC1 ZINC000508911666 561777979 /nfs/dbraw/zinc/77/79/79/561777979.db2.gz JDXROEFHRJHVRS-UHFFFAOYSA-N 1 0 370.501 2.382 20 30 FEEDRO Cn1nccc1[C@H]1[C@H](CNC(=O)c2ncc(C#N)cc2Cl)CCC[N@@H+]1C ZINC000331712064 554313104 /nfs/dbraw/zinc/31/31/04/554313104.db2.gz DIXQUXQHENJWRL-SUMWQHHRSA-N 1 0 372.860 2.153 20 30 FEEDRO C=CCOc1ccc(CNC(=O)NC[C@H](O)C[NH+]2CCC(C)CC2)cc1 ZINC000509340662 561795629 /nfs/dbraw/zinc/79/56/29/561795629.db2.gz BJVZDFWSDBWLHL-SFHVURJKSA-N 1 0 361.486 2.143 20 30 FEEDRO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000509737817 561812347 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20 30 FEEDRO C=CCSc1ccccc1C(=O)N1CC[NH+]([C@H]2CCNC(=O)CC2)CC1 ZINC000333789701 554643434 /nfs/dbraw/zinc/64/34/34/554643434.db2.gz XHTJAEZFHCQRTI-MRXNPFEDSA-N 1 0 373.522 2.391 20 30 FEEDRO N#CC1(F)CCN(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000510904766 561850141 /nfs/dbraw/zinc/85/01/41/561850141.db2.gz LMHPPJSQSGZLGU-UHFFFAOYSA-N 1 0 358.461 2.226 20 30 FEEDRO C=CCOC[C@@H]1NC(=O)N(C[C@H](C2CC2)[N@H+](C)Cc2ccccc2)C1=O ZINC000348608153 554691525 /nfs/dbraw/zinc/69/15/25/554691525.db2.gz ZWEUMDPFOUUBEM-ZWKOTPCHSA-N 1 0 357.454 2.020 20 30 FEEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000361288076 554914659 /nfs/dbraw/zinc/91/46/59/554914659.db2.gz OEIPWMBDCFFWLL-RBUKOAKNSA-N 1 0 354.454 2.119 20 30 FEEDRO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)[C@]2(C#N)CCc3ccccc3C2)CC1 ZINC000362026163 554945087 /nfs/dbraw/zinc/94/50/87/554945087.db2.gz VJQFOLHDOYMAHA-VGOFRKELSA-N 1 0 369.509 2.236 20 30 FEEDRO C#CC[C@H](NC(=O)N1CCC[C@@H](C[NH+]2CCN(C)CC2)C1)c1ccccc1 ZINC000362729346 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2.155 20 30 FEEDRO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCCC[C@@H]1CN1CCCC1=O ZINC000363527860 555129213 /nfs/dbraw/zinc/12/92/13/555129213.db2.gz YBSBUJYXCASVSA-OAHLLOKOSA-N 1 0 360.483 2.425 20 30 FEEDRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000363943640 555219131 /nfs/dbraw/zinc/21/91/31/555219131.db2.gz AFKQZKZRJBYRJV-INIZCTEOSA-N 1 0 367.457 2.381 20 30 FEEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(-n2ccnc2C)c(F)c1 ZINC000364147206 555258861 /nfs/dbraw/zinc/25/88/61/555258861.db2.gz TXMSEDGKILSLHI-CHWSQXEVSA-N 1 0 373.432 2.371 20 30 FEEDRO C#CCOc1ccccc1NC(=O)NC[C@@H]1CCC[C@@H]1[NH+]1CCOCC1 ZINC000364325485 555291569 /nfs/dbraw/zinc/29/15/69/555291569.db2.gz PZXROMMCNJQNGR-WMZOPIPTSA-N 1 0 357.454 2.321 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)CC1 ZINC000364414429 555309251 /nfs/dbraw/zinc/30/92/51/555309251.db2.gz GGFMNIDNZYIQTI-HNNXBMFYSA-N 1 0 373.884 2.154 20 30 FEEDRO N#Cc1ccc(OCC(=O)NC2CC[NH+](CCc3ccncc3)CC2)cc1 ZINC000364487028 555322521 /nfs/dbraw/zinc/32/25/21/555322521.db2.gz YEJIBAYEOJDULT-UHFFFAOYSA-N 1 0 364.449 2.155 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@@H]1CC(=O)N2CCCC[C@H]12)C(C)C ZINC000512392992 561903083 /nfs/dbraw/zinc/90/30/83/561903083.db2.gz MWYWXZKSPHCTEM-KZNAEPCWSA-N 1 0 362.518 2.138 20 30 FEEDRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000364597759 555349087 /nfs/dbraw/zinc/34/90/87/555349087.db2.gz GHZNRSJYCQQUCR-MRXNPFEDSA-N 1 0 367.497 2.236 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3F)C2)CC1 ZINC000364738183 555389909 /nfs/dbraw/zinc/38/99/09/555389909.db2.gz TXLTUDIHVFCHCQ-HNNXBMFYSA-N 1 0 359.445 2.254 20 30 FEEDRO COC(=O)[C@@H]1C[N@@H+]([C@H](C)C(=O)N(CCC#N)c2ccccc2)CC1(C)C ZINC000364764602 555396391 /nfs/dbraw/zinc/39/63/91/555396391.db2.gz OLKPRQZYBUEOPK-WBVHZDCISA-N 1 0 357.454 2.453 20 30 FEEDRO Cc1c(C#N)cccc1C(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000512665012 561911725 /nfs/dbraw/zinc/91/17/25/561911725.db2.gz IVUBPOZSZWQTOO-CALCHBBNSA-N 1 0 354.498 2.497 20 30 FEEDRO C[C@H]([C@H]1CN(Cc2ccccc2)CCO1)N(C)C(=O)c1cc(C#N)cn1C ZINC000364857444 555416837 /nfs/dbraw/zinc/41/68/37/555416837.db2.gz WOROMBZKUJBFPF-OXQOHEQNSA-N 1 0 366.465 2.258 20 30 FEEDRO N#Cc1ccc(Br)c(CN2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c1 ZINC000365201866 555509987 /nfs/dbraw/zinc/50/99/87/555509987.db2.gz KGUICNGCNKOCGO-IAGOWNOFSA-N 1 0 364.287 2.352 20 30 FEEDRO CC(C)(CCC#N)CNC(=O)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000513114243 561925920 /nfs/dbraw/zinc/92/59/20/561925920.db2.gz YZWNULQRQNEQBE-HXUWFJFHSA-N 1 0 358.486 2.253 20 30 FEEDRO N#Cc1cnc2ccccc2c1NC1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000365392004 555561360 /nfs/dbraw/zinc/56/13/60/555561360.db2.gz FVRJJCNXXNVHEE-UHFFFAOYSA-N 1 0 363.465 2.027 20 30 FEEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000365542952 555604589 /nfs/dbraw/zinc/60/45/89/555604589.db2.gz AODYDDNHIOUKKH-DFQSSKMNSA-N 1 0 369.513 2.289 20 30 FEEDRO Cc1oc(NC(=O)[C@H](C)[NH2+][C@H]2CCCC[C@H]2N2CCOCC2)c(C#N)c1C ZINC000365597953 555619233 /nfs/dbraw/zinc/61/92/33/555619233.db2.gz JJIBKGWLOXDMLY-JCGIZDLHSA-N 1 0 374.485 2.328 20 30 FEEDRO C[N@@H+]1C[C@@H]2CN(C(=O)C(=O)Nc3cccc(C#N)c3)C[C@@H]2[C@@H]1c1ccccc1 ZINC000365689737 555641568 /nfs/dbraw/zinc/64/15/68/555641568.db2.gz BQUIMHYZVURWOX-HOJAQTOUSA-N 1 0 374.444 2.258 20 30 FEEDRO Cc1ccc(OC[C@@H](O)C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1 ZINC000366378510 555827004 /nfs/dbraw/zinc/82/70/04/555827004.db2.gz OLKIFCKVDHJOGE-PKOBYXMFSA-N 1 0 353.422 2.155 20 30 FEEDRO N#Cc1ccc2ncc(/C=C3/CCc4c(cnn4-c4ncccn4)C3=O)n2c1 ZINC000366526047 555867809 /nfs/dbraw/zinc/86/78/09/555867809.db2.gz HOKRVSDYOHWZJV-ZSOIEALJSA-N 1 0 367.372 2.394 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N2C[C@H](C)O[C@]3(CCCOC3)C2)CC1 ZINC000366729641 555919821 /nfs/dbraw/zinc/91/98/21/555919821.db2.gz MPQLCQZAXCIEJV-QFBILLFUSA-N 1 0 351.491 2.006 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@]2(CO)CCCc3ccccc32)cc1 ZINC000366924574 555972157 /nfs/dbraw/zinc/97/21/57/555972157.db2.gz XJXFYKILDLMAEM-HXUWFJFHSA-N 1 0 370.474 2.146 20 30 FEEDRO CC1(C)[C@H]([NH2+]CCNC(=O)C2N=CC=CC2=O)C[C@H]1Oc1ccccc1 ZINC000366961462 555983160 /nfs/dbraw/zinc/98/31/60/555983160.db2.gz JHBNPXSVFUNTMY-BNIZFGOISA-N 1 0 355.438 2.349 20 30 FEEDRO C[C@@H](C#N)CN(C)S(=O)(=O)N(C)C1CC[NH+](C2CCC(C)CC2)CC1 ZINC000367136233 556002009 /nfs/dbraw/zinc/00/20/09/556002009.db2.gz WISYPVVAVOCELM-PQUAAJSLSA-N 1 0 370.563 2.298 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)Nc1cccc2c1CC[N@@H+](CC)C2 ZINC000367194496 556002828 /nfs/dbraw/zinc/00/28/28/556002828.db2.gz JRMRKUQQPUDVPQ-BEFAXECRSA-N 1 0 371.481 2.101 20 30 FEEDRO C=CCc1ccccc1OC[C@H](O)C[NH2+]C[C@]1(N(C)C)CCSC1 ZINC000514668998 561972918 /nfs/dbraw/zinc/97/29/18/561972918.db2.gz SQSKSQCQGAMPIL-IEBWSBKVSA-N 1 0 350.528 2.182 20 30 FEEDRO CN(CCOCc1ccc(C#N)cc1)C(=O)NCCC1CC[NH+](C)CC1 ZINC000514686582 561974179 /nfs/dbraw/zinc/97/41/79/561974179.db2.gz 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C[C@@H]1C[C@H](C)C[N@H+](C2CCN(S(=O)(=O)c3cccnc3C#N)CC2)C1 ZINC000368463743 556317721 /nfs/dbraw/zinc/31/77/21/556317721.db2.gz XRPISEDLJHWYHH-GASCZTMLSA-N 1 0 362.499 2.084 20 30 FEEDRO C#CCC1(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)CCCCC1 ZINC000368552569 556343435 /nfs/dbraw/zinc/34/34/35/556343435.db2.gz ZUGDAPBSOZHPHN-AYHJJNSGSA-N 1 0 359.514 2.160 20 30 FEEDRO CN(CCC#N)C[C@H](O)C[NH2+][C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 ZINC000515468144 562011536 /nfs/dbraw/zinc/01/15/36/562011536.db2.gz KHWKFKAJWDZAPW-DZGCQCFKSA-N 1 0 371.312 2.368 20 30 FEEDRO Cc1nc(CO[C@@H]2CC[N@H+](C[C@@H](O)COc3ccc(C#N)cc3)C2)cs1 ZINC000368998695 556472250 /nfs/dbraw/zinc/47/22/50/556472250.db2.gz BJSFVBGORLQORR-IEBWSBKVSA-N 1 0 373.478 2.354 20 30 FEEDRO N#C[C@@H]1CN(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)CCN1C1CC1 ZINC000369219259 556539037 /nfs/dbraw/zinc/53/90/37/556539037.db2.gz NHSPHUHZUXTWPY-SJORKVTESA-N 1 0 373.526 2.267 20 30 FEEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+]1C[C@H]2CCC[C@@H](C1)C2O ZINC000369378067 556584929 /nfs/dbraw/zinc/58/49/29/556584929.db2.gz POQNCMDYTGJMMC-NFYOSOMSSA-N 1 0 371.481 2.423 20 30 FEEDRO C=C(C)[C@H]1OCCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000369682574 556667290 /nfs/dbraw/zinc/66/72/90/556667290.db2.gz FRQVKZJZXYZOSJ-FVVUREQNSA-N 1 0 350.503 2.363 20 30 FEEDRO C=CCN1CC[C@@H](N(C)C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)C1=O ZINC000369855756 556713575 /nfs/dbraw/zinc/71/35/75/556713575.db2.gz JDNDOYBWEKIBBG-RTBURBONSA-N 1 0 370.497 2.079 20 30 FEEDRO CCC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCCN(c3nc(C)ccc3C#N)C2)C1 ZINC000369937514 556735601 /nfs/dbraw/zinc/73/56/01/556735601.db2.gz QHKVJQYGOVRGSE-MJGOQNOKSA-N 1 0 369.513 2.326 20 30 FEEDRO Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)NC3CC[NH+](C4CC4)CC3)C2)n1 ZINC000369937450 556735733 /nfs/dbraw/zinc/73/57/33/556735733.db2.gz PZEFKOYMYIMGNT-QGZVFWFLSA-N 1 0 367.497 2.221 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N2CC[N@@H+](Cc3ccccc3)CC[C@H]2C)CC1 ZINC000369994802 556751745 /nfs/dbraw/zinc/75/17/45/556751745.db2.gz IXNLIRLMFHBKBZ-LJQANCHMSA-N 1 0 353.510 2.455 20 30 FEEDRO C=CCOc1ccccc1CNC(=O)N1CCC[C@@H]1C[N@H+]1CCC[C@H]1CO ZINC000370304291 556834920 /nfs/dbraw/zinc/83/49/20/556834920.db2.gz XOXAOTTXJAZFQN-MOPGFXCFSA-N 1 0 373.497 2.382 20 30 FEEDRO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC[C@]2(C1)CCCN(C)C2=O ZINC000370406492 556863232 /nfs/dbraw/zinc/86/32/32/556863232.db2.gz NAIMLEDDNVUBEH-UWJYYQICSA-N 1 0 368.481 2.266 20 30 FEEDRO N#Cc1ccc(CSCC(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000370487925 556887882 /nfs/dbraw/zinc/88/78/82/556887882.db2.gz QFEOESKWWJVPOC-GOSISDBHSA-N 1 0 359.495 2.161 20 30 FEEDRO COc1ccc([C@H]([NH2+]CC(=O)NC2(C#N)CCC2)C2CCOCC2)cc1 ZINC000370516664 556897173 /nfs/dbraw/zinc/89/71/73/556897173.db2.gz DTQONDXYQIAYKD-IBGZPJMESA-N 1 0 357.454 2.315 20 30 FEEDRO CC(C)n1nccc1NC(=O)[C@H](C)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000370738212 556954138 /nfs/dbraw/zinc/95/41/38/556954138.db2.gz JPZFOGONFHKTLA-GOEBONIOSA-N 1 0 368.441 2.211 20 30 FEEDRO Cc1cccc(S(=O)(=O)N2C[C@@H](C[NH+](C)C)Oc3ccccc32)c1C#N ZINC000371000570 557041535 /nfs/dbraw/zinc/04/15/35/557041535.db2.gz WKJWBHLZQDEMPB-OAHLLOKOSA-N 1 0 371.462 2.385 20 30 FEEDRO COc1ccc(-c2cnc(CCC(=O)NC3(C#N)CC[NH+](C)CC3)o2)cc1 ZINC000517581620 562093018 /nfs/dbraw/zinc/09/30/18/562093018.db2.gz UIIQRMCJBIQNKY-UHFFFAOYSA-N 1 0 368.437 2.387 20 30 FEEDRO CN(C1CCN(c2cc[nH+]cc2)CC1)S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000371530992 557211634 /nfs/dbraw/zinc/21/16/34/557211634.db2.gz OSYWRXZSHMBOOV-UHFFFAOYSA-N 1 0 374.441 2.382 20 30 FEEDRO C=CC1CC[NH+]([C@@H]2CC(=O)N(CCc3ccc(OC)c(OC)c3)C2=O)CC1 ZINC000517708932 562095807 /nfs/dbraw/zinc/09/58/07/562095807.db2.gz GDRZOTNWMHNERE-QGZVFWFLSA-N 1 0 372.465 2.272 20 30 FEEDRO CC(C)(C#N)CCC[N@@H+]1CCC[C@H](c2n[nH]cc2NS(C)(=O)=O)C1 ZINC000371551287 557219718 /nfs/dbraw/zinc/21/97/18/557219718.db2.gz DULNZYPVAUASII-ZDUSSCGKSA-N 1 0 353.492 2.291 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)Cn2cc(C(=O)OC)c3ccccc32)CC1 ZINC000517995040 562102262 /nfs/dbraw/zinc/10/22/62/562102262.db2.gz XEKLENZTRDTQTE-UHFFFAOYSA-N 1 0 355.438 2.195 20 30 FEEDRO CC(C)[C@H](Oc1ccccc1C#N)C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000518021525 562102687 /nfs/dbraw/zinc/10/26/87/562102687.db2.gz YJLAREDJJMSBSD-FQEVSTJZSA-N 1 0 372.513 2.105 20 30 FEEDRO COc1ccc(O[C@H](C)C[NH2+]C[C@H](O)COc2ccc(C#N)cc2)cc1 ZINC000518362692 562109607 /nfs/dbraw/zinc/10/96/07/562109607.db2.gz SVRKYHQPWLNHQD-WBVHZDCISA-N 1 0 356.422 2.364 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000518620933 562115531 /nfs/dbraw/zinc/11/55/31/562115531.db2.gz TURSGERHWDAYLI-UHFFFAOYSA-N 1 0 361.511 2.253 20 30 FEEDRO CC(C)Oc1ccc(NC(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cc1C#N ZINC000372086085 557376307 /nfs/dbraw/zinc/37/63/07/557376307.db2.gz GGOJIYNVIJWGEO-MSOLQXFVSA-N 1 0 372.469 2.408 20 30 FEEDRO COc1ccc(C[NH+]2CCC(NC(=O)c3cc(C)on3)CC2)cc1C#N ZINC000372169065 557398154 /nfs/dbraw/zinc/39/81/54/557398154.db2.gz CXAVMMXFLMETHT-UHFFFAOYSA-N 1 0 354.410 2.258 20 30 FEEDRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000518870258 562120080 /nfs/dbraw/zinc/12/00/80/562120080.db2.gz AZLUIWCIENLCGC-JZXOWHBKSA-N 1 0 371.485 2.379 20 30 FEEDRO CC1(c2ccccc2)CC([NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000518963718 562122009 /nfs/dbraw/zinc/12/20/09/562122009.db2.gz LIDNQMNRZPJWKJ-UHFFFAOYSA-N 1 0 355.463 2.437 20 30 FEEDRO COCC[C@@H](Cc1ccco1)[NH2+]CCS(=O)(=O)c1cccc(C#N)c1 ZINC000518966517 562122013 /nfs/dbraw/zinc/12/20/13/562122013.db2.gz QKPTVFZBTQCOQK-INIZCTEOSA-N 1 0 362.451 2.162 20 30 FEEDRO CC(C)NC(=O)CN1CCC[N@H+](Cc2ccc(O[C@H](C)C#N)cc2)CC1 ZINC000372391277 557458897 /nfs/dbraw/zinc/45/88/97/557458897.db2.gz HKPUZPTVIQEQBS-QGZVFWFLSA-N 1 0 358.486 2.010 20 30 FEEDRO C=CCCCCCNC(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000519556026 562134705 /nfs/dbraw/zinc/13/47/05/562134705.db2.gz PKKBAEXZFLHUIU-SJORKVTESA-N 1 0 350.507 2.023 20 30 FEEDRO C=CCCCN(C)C(=O)C(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000519566272 562135058 /nfs/dbraw/zinc/13/50/58/562135058.db2.gz WABPDDHYHQLSRW-MRXNPFEDSA-N 1 0 351.878 2.484 20 30 FEEDRO COC(=O)c1ccc(N2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c(C#N)n1 ZINC000519667348 562139155 /nfs/dbraw/zinc/13/91/55/562139155.db2.gz DLCXDJYCZKHMTA-GJZGRUSLSA-N 1 0 372.469 2.065 20 30 FEEDRO N#Cc1ncccc1S(=O)(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000372989268 557604478 /nfs/dbraw/zinc/60/44/78/557604478.db2.gz JAZFTZLLNZYSBA-QGZVFWFLSA-N 1 0 370.478 2.144 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@@]3(C2)c2ccccc2NC3=O)CC1 ZINC000373599667 557726745 /nfs/dbraw/zinc/72/67/45/557726745.db2.gz VSNFJYCLRYXKSN-OAQYLSRUSA-N 1 0 368.481 2.332 20 30 FEEDRO CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1CCC(=O)Nc1ccccc1C#N ZINC000373965095 557797316 /nfs/dbraw/zinc/79/73/16/557797316.db2.gz MNYXBGYLVYYTJH-RBUKOAKNSA-N 1 0 354.454 2.362 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)CCNC(=O)C23CC4CC(CC(C4)C2)C3)CC1 ZINC000520683293 562161523 /nfs/dbraw/zinc/16/15/23/562161523.db2.gz KQLHLUVMOOJAGO-UHFFFAOYSA-N 1 0 373.541 2.476 20 30 FEEDRO Cc1n[nH]c(C)c1[C@H]1COCCN1CCC(=O)Nc1sccc1C#N ZINC000374294032 557859986 /nfs/dbraw/zinc/85/99/86/557859986.db2.gz FACWLLHYVTXJNI-CQSZACIVSA-N 1 0 359.455 2.362 20 30 FEEDRO N#Cc1cccc(OCCC[N@H+]2CCC[C@H]2C(=O)NCC2CCOCC2)c1 ZINC000374387672 557876748 /nfs/dbraw/zinc/87/67/48/557876748.db2.gz JRNJQWZKQYFSSE-FQEVSTJZSA-N 1 0 371.481 2.334 20 30 FEEDRO N#Cc1ccc(CSCC(=O)N2CCN[C@@H](c3ccncc3)C2)cc1 ZINC000374391261 557877440 /nfs/dbraw/zinc/87/74/40/557877440.db2.gz XAZKXYXBNLJAKS-GOSISDBHSA-N 1 0 352.463 2.360 20 30 FEEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1CCn2cc(C)nc2C1 ZINC000374710524 557920016 /nfs/dbraw/zinc/92/00/16/557920016.db2.gz OBKZYCVVDKFWSC-INIZCTEOSA-N 1 0 367.453 2.351 20 30 FEEDRO COc1cccc([C@@H]2[C@H]([NH2+][C@H](C)C(=O)N(C)CCC#N)CCN2C2CC2)c1 ZINC000374766756 557927978 /nfs/dbraw/zinc/92/79/78/557927978.db2.gz MXQVTQQVNNWISN-CDHQVMDDSA-N 1 0 370.497 2.323 20 30 FEEDRO CS(=O)(=O)Nc1c[nH]nc1[C@@H]1CCC[N@H+](Cc2cccc(C#N)c2)C1 ZINC000374818193 557935968 /nfs/dbraw/zinc/93/59/68/557935968.db2.gz JHQZRVRGPZZRAR-OAHLLOKOSA-N 1 0 359.455 2.032 20 30 FEEDRO CC(C)(CN1CCn2ccnc2C1)C(=O)N(CCC#N)Cc1ccco1 ZINC000374891615 557946853 /nfs/dbraw/zinc/94/68/53/557946853.db2.gz CJVPXUNWEWFIGR-UHFFFAOYSA-N 1 0 355.442 2.260 20 30 FEEDRO N#Cc1cc(C(F)(F)F)ccc1N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000374943828 557954580 /nfs/dbraw/zinc/95/45/80/557954580.db2.gz IZQFYPOXHIVBDA-UHFFFAOYSA-N 1 0 369.387 2.241 20 30 FEEDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)Nc3ccccc3SCCC#N)C[C@@H]21 ZINC000375053975 557970760 /nfs/dbraw/zinc/97/07/60/557970760.db2.gz JHMIEICGGFVPIB-ZBFHGGJFSA-N 1 0 372.494 2.183 20 30 FEEDRO CC(C)(c1ccccc1)c1ccc(OC[C@H](O)C[NH2+]CC#CCO)cc1 ZINC000521435967 562176522 /nfs/dbraw/zinc/17/65/22/562176522.db2.gz IAZVXBNEOHWAFM-HXUWFJFHSA-N 1 0 353.462 2.338 20 30 FEEDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1S(=O)(=O)c1cccc(Cl)c1C#N ZINC000375635170 558060416 /nfs/dbraw/zinc/06/04/16/558060416.db2.gz AIISUQIHWXATFM-QWHCGFSZSA-N 1 0 353.875 2.459 20 30 FEEDRO CC(C)[NH+]1CCN([C@H]2CCN(Cc3cn4ccccc4c3C#N)C2)CC1 ZINC000375907074 558097396 /nfs/dbraw/zinc/09/73/96/558097396.db2.gz RBVQHKZEGORMPJ-IBGZPJMESA-N 1 0 351.498 2.411 20 30 FEEDRO N#Cc1ccc(CN2CCC([NH2+]C[C@@H]3CN4CCCC[C@H]4CO3)CC2)cc1 ZINC000376178695 558137351 /nfs/dbraw/zinc/13/73/51/558137351.db2.gz SVWJWZUPAIKIKP-FCHUYYIVSA-N 1 0 368.525 2.366 20 30 FEEDRO CCOc1ccc(N(CCC#N)C(=O)C[NH2+][C@@H](CO)C2CCCC2)cc1 ZINC000521695790 562182420 /nfs/dbraw/zinc/18/24/20/562182420.db2.gz ZHIRKXQEKNDXAQ-IBGZPJMESA-N 1 0 359.470 2.473 20 30 FEEDRO C[NH+](C)[C@H]1CCCN(C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CC1 ZINC000376461445 558176089 /nfs/dbraw/zinc/17/60/89/558176089.db2.gz YXPWEXVORYVXQL-HNNXBMFYSA-N 1 0 370.432 2.831 20 30 FEEDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1ccc(-n2ncc(C#N)c2N)cc1 ZINC000376568846 558191819 /nfs/dbraw/zinc/19/18/19/558191819.db2.gz ISDFMRURIBUHFD-RDTXWAMCSA-N 1 0 364.453 2.025 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCCN(C(=O)CC)CC1)C(C)C ZINC000377443710 558341838 /nfs/dbraw/zinc/34/18/38/558341838.db2.gz TZSWNSKYEDEMBW-SFHVURJKSA-N 1 0 364.534 2.339 20 30 FEEDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)C1 ZINC000377668064 558391724 /nfs/dbraw/zinc/39/17/24/558391724.db2.gz JSNZHQKQMLIHSO-SCTDSRPQSA-N 1 0 361.534 2.126 20 30 FEEDRO CN1CC[C@H]([NH2+]CC(=O)NC2(C#N)CCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000377676378 558393913 /nfs/dbraw/zinc/39/39/13/558393913.db2.gz QDDQQXHWQDUROT-DOTOQJQBSA-N 1 0 364.852 2.376 20 30 FEEDRO C[C@](C#N)(NC(=O)CN1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1)C1CC1 ZINC000377732537 558407380 /nfs/dbraw/zinc/40/73/80/558407380.db2.gz MMTQNEBRACUNLH-XQBPLPMBSA-N 1 0 366.509 2.249 20 30 FEEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@]2(CCOC)CC[NH2+]C2)cc1 ZINC000378213280 558503707 /nfs/dbraw/zinc/50/37/07/558503707.db2.gz UPZTUUSUOOVRLK-NRFANRHFSA-N 1 0 371.481 2.456 20 30 FEEDRO N#Cc1c(Cl)cccc1S(=O)(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000378229898 558506837 /nfs/dbraw/zinc/50/68/37/558506837.db2.gz OQBLJRYALAHQEJ-WFASDCNBSA-N 1 0 353.875 2.364 20 30 FEEDRO C[C@@H](C[NH2+]C[C@@H](O)COc1ccc(C#N)cc1)N(C)Cc1ccccc1 ZINC000390655004 558611385 /nfs/dbraw/zinc/61/13/85/558611385.db2.gz FXKKYPKFKZYNIK-FXAWDEMLSA-N 1 0 353.466 2.408 20 30 FEEDRO N#Cc1cnc(NCCN2CC[NH+](Cc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000390933339 558613191 /nfs/dbraw/zinc/61/31/91/558613191.db2.gz JKSLQXZQHKQQRJ-UHFFFAOYSA-N 1 0 366.425 2.091 20 30 FEEDRO Cc1ccc(C#N)cc1S(=O)(=O)N(CC[NH+](C)C)Cc1ccccn1 ZINC000524452395 562228787 /nfs/dbraw/zinc/22/87/87/562228787.db2.gz QHPQRXXVGCDRFD-UHFFFAOYSA-N 1 0 358.467 2.014 20 30 FEEDRO CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@H]1CCCC[C@H]1C[NH+](CC)CC ZINC000409485092 558696397 /nfs/dbraw/zinc/69/63/97/558696397.db2.gz NHARYYYPGZXPCW-ULQDDVLXSA-N 1 0 358.552 2.203 20 30 FEEDRO C[C@@H](C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1)n1cnc(C#N)n1 ZINC000409594931 558706822 /nfs/dbraw/zinc/70/68/22/558706822.db2.gz CJLXPMISXQFYTI-INIZCTEOSA-N 1 0 366.469 2.403 20 30 FEEDRO C[C@@H](C(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1)n1cnc(C#N)n1 ZINC000409638286 558709467 /nfs/dbraw/zinc/70/94/67/558709467.db2.gz MPTVAAPHIAZNAE-INIZCTEOSA-N 1 0 366.469 2.259 20 30 FEEDRO CCN(C[C@H](C)C#N)S(=O)(=O)NCC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000410160305 558742919 /nfs/dbraw/zinc/74/29/19/558742919.db2.gz YDYYHLDSQFUSNC-IAGOWNOFSA-N 1 0 366.531 2.213 20 30 FEEDRO C[C@@H](Oc1cccc(Br)c1)C(=O)NC1(C#N)CC[NH+](C)CC1 ZINC000525167080 562241741 /nfs/dbraw/zinc/24/17/41/562241741.db2.gz AWKQGVONEMTAEV-GFCCVEGCSA-N 1 0 366.259 2.321 20 30 FEEDRO Cn1ncc2c1ncnc2N1CC[NH+](CCC2(C#N)CCCCC2)CC1 ZINC000411126812 558841331 /nfs/dbraw/zinc/84/13/31/558841331.db2.gz AFYQRULKDLIKCJ-UHFFFAOYSA-N 1 0 353.474 2.349 20 30 FEEDRO Cc1cc(NC(=O)C(=O)NCc2ccc(C#N)cc2)ccc1C[NH+](C)C ZINC000411140137 558843868 /nfs/dbraw/zinc/84/38/68/558843868.db2.gz ZNIZKBIZXXQNAN-UHFFFAOYSA-N 1 0 350.422 2.183 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1cnc2cc[nH]cc-2c1=O)C(C)C ZINC000411370022 558886192 /nfs/dbraw/zinc/88/61/92/558886192.db2.gz SBLNQDHLQBWYIQ-GOSISDBHSA-N 1 0 354.454 2.352 20 30 FEEDRO C[C@@H]1C[N@H+](CCC2(C#N)CCCCC2)CCN1c1nccn2cnnc12 ZINC000411381401 558886641 /nfs/dbraw/zinc/88/66/41/558886641.db2.gz CTMWYGPHGZEIBJ-MRXNPFEDSA-N 1 0 353.474 2.499 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)Nc1ccc(C[NH+](C)C)c(C)c1 ZINC000411494570 558904803 /nfs/dbraw/zinc/90/48/03/558904803.db2.gz SYWQQRBGPLWTNY-YJBOKZPZSA-N 1 0 359.470 2.093 20 30 FEEDRO N#Cc1cccnc1OC1CCC(NC(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000525852999 562257424 /nfs/dbraw/zinc/25/74/24/562257424.db2.gz OATJCWBTAQVFAS-UPTPFMHGSA-N 1 0 369.469 2.179 20 30 FEEDRO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH2+]CC(=O)NC1(C#N)CCC1 ZINC000525885919 562258521 /nfs/dbraw/zinc/25/85/21/562258521.db2.gz MSQHSVHKQUISIO-SNVBAGLBSA-N 1 0 357.380 2.275 20 30 FEEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CC[C@@H](C(=O)N(C)C)C2)c1 ZINC000411954846 558994477 /nfs/dbraw/zinc/99/44/77/558994477.db2.gz PUDHAKBAAOASFL-ZWKOTPCHSA-N 1 0 370.497 2.349 20 30 FEEDRO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1C[C@H](C(N)=O)[C@@H](c2ccccc2)C1 ZINC000411985150 558999232 /nfs/dbraw/zinc/99/92/32/558999232.db2.gz RUVLEMCJZFUXCY-KYNGSXCRSA-N 1 0 362.433 2.086 20 30 FEEDRO CN(C(=O)C[NH2+]C1(CO)C2CC3CC(C2)CC1C3)C1(C#N)CCCCC1 ZINC000412006750 559001597 /nfs/dbraw/zinc/00/15/97/559001597.db2.gz CRDXVOQJMFXWDK-UHFFFAOYSA-N 1 0 359.514 2.448 20 30 FEEDRO C=CCC[C@@H](NC(=O)N1CC[N@H+](C)C[C@@H](C(=O)OC)C1)c1ccccc1 ZINC000413402924 559105346 /nfs/dbraw/zinc/10/53/46/559105346.db2.gz NXSRQVHZHAZVPQ-QZTJIDSGSA-N 1 0 359.470 2.440 20 30 FEEDRO C=C(C)CCNC(=O)NCc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000413596234 559119240 /nfs/dbraw/zinc/11/92/40/559119240.db2.gz TYWIUIKVCUINGZ-UHFFFAOYSA-N 1 0 358.486 2.149 20 30 FEEDRO CCOC(=O)[C@@H](CC)C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000413690370 559125016 /nfs/dbraw/zinc/12/50/16/559125016.db2.gz GESHSIUJNZHBKX-KRWDZBQOSA-N 1 0 357.454 2.250 20 30 FEEDRO N#Cc1cscc1C(=O)NCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000413973179 559144255 /nfs/dbraw/zinc/14/42/55/559144255.db2.gz CCFHPBAGHFKHNT-UHFFFAOYSA-N 1 0 355.463 2.377 20 30 FEEDRO CC[NH2+]Cc1ccccc1NC(=O)C(=O)N(C)Cc1cccc(C#N)c1 ZINC000414725166 559182399 /nfs/dbraw/zinc/18/23/99/559182399.db2.gz HLZVECHHCWJULY-UHFFFAOYSA-N 1 0 350.422 2.265 20 30 FEEDRO C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H](C[NH3+])CCCC)cc1 ZINC000414901417 559194061 /nfs/dbraw/zinc/19/40/61/559194061.db2.gz WYUTZEWULBSJQM-HNNXBMFYSA-N 1 0 368.503 2.132 20 30 FEEDRO C=CCC1(CNC(=O)C(=O)Nc2cnc3c(c2)C[C@@H]([NH3+])CC3)CCCC1 ZINC000415251299 559218522 /nfs/dbraw/zinc/21/85/22/559218522.db2.gz CJSGNQNHAKZYFZ-HNNXBMFYSA-N 1 0 356.470 2.089 20 30 FEEDRO [NH3+]CC1CCN(C(=O)C(=O)Nc2ccccc2C#Cc2ccccc2)CC1 ZINC000415311284 559223029 /nfs/dbraw/zinc/22/30/29/559223029.db2.gz RDBBSFBFZWDXNU-UHFFFAOYSA-N 1 0 361.445 2.222 20 30 FEEDRO C[NH2+]CC1CCN(C(=O)C(=O)Nc2ccccc2SCCC#N)CC1 ZINC000415394520 559230790 /nfs/dbraw/zinc/23/07/90/559230790.db2.gz CQKDKKZTIIRDQX-UHFFFAOYSA-N 1 0 360.483 2.089 20 30 FEEDRO O=C(NCC[C@@H]1CC[NH2+]C1)C(=O)Nc1ccccc1C#Cc1ccccc1 ZINC000415393914 559230818 /nfs/dbraw/zinc/23/08/18/559230818.db2.gz LMPPPTSFMXPNSH-SFHVURJKSA-N 1 0 361.445 2.141 20 30 FEEDRO CC(C)Oc1ccc(NC(=O)C(=O)NC[C@H]([NH3+])c2ccccc2)cc1C#N ZINC000415399020 559231259 /nfs/dbraw/zinc/23/12/59/559231259.db2.gz XTSBWROSXQOWEV-KRWDZBQOSA-N 1 0 366.421 2.100 20 30 FEEDRO CC(C)(C)c1csc(NC(=O)C(=O)NCC[C@H]2CCC[NH2+]C2)c1C#N ZINC000415417383 559233438 /nfs/dbraw/zinc/23/34/38/559233438.db2.gz VUCULVZNPLFPLF-GFCCVEGCSA-N 1 0 362.499 2.362 20 30 FEEDRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)Nc2sc(C(C)(C)C)cc2C#N)C1 ZINC000415432827 559236079 /nfs/dbraw/zinc/23/60/79/559236079.db2.gz HPEJGVUHAXCTJX-NWDGAFQWSA-N 1 0 362.499 2.442 20 30 FEEDRO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)Nc1nc(-c2cccc(C#N)c2)cs1 ZINC000415437248 559236768 /nfs/dbraw/zinc/23/67/68/559236768.db2.gz ZELURAZQUNIORH-AWEZNQCLSA-N 1 0 371.466 2.110 20 30 FEEDRO CCCN(C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1)C1CC[NH2+]CC1 ZINC000415442566 559237446 /nfs/dbraw/zinc/23/74/46/559237446.db2.gz QENZGEBLOCPFSE-UHFFFAOYSA-N 1 0 370.432 2.879 20 30 FEEDRO CC(C)[C@](C)(C[NH3+])NC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 ZINC000415441476 559237464 /nfs/dbraw/zinc/23/74/64/559237464.db2.gz FAMQKPCRHLAWTQ-KRWDZBQOSA-N 1 0 360.849 2.892 20 30 FEEDRO N#Cc1c(F)cccc1-n1ccc(NC(=O)NCC2([NH3+])CCCCC2)n1 ZINC000415450812 559238487 /nfs/dbraw/zinc/23/84/87/559238487.db2.gz WQOAMBFMMXXWPW-UHFFFAOYSA-N 1 0 356.405 2.666 20 30 FEEDRO C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N[C@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000415603736 559254482 /nfs/dbraw/zinc/25/44/82/559254482.db2.gz UNTAYSXOVVFHRW-IOASZLSFSA-N 1 0 364.471 2.011 20 30 FEEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000415624777 559255955 /nfs/dbraw/zinc/25/59/55/559255955.db2.gz NDRXFRSLWZIYEL-UONOGXRCSA-N 1 0 360.483 2.278 20 30 FEEDRO C[C@H]1C[C@H](NC(=O)C(=O)Nc2ccccc2C#Cc2ccccc2)CC[NH2+]1 ZINC000415660811 559259258 /nfs/dbraw/zinc/25/92/58/559259258.db2.gz OCIRDZLMLIZASY-QFBILLFUSA-N 1 0 361.445 2.282 20 30 FEEDRO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000415856934 559278913 /nfs/dbraw/zinc/27/89/13/559278913.db2.gz GNVWWQOCOLKXSW-INIZCTEOSA-N 1 0 359.470 2.053 20 30 FEEDRO C[NH2+]Cc1cccc(NC(=O)N2CCN(c3cccc(C#N)n3)CC2)c1 ZINC000415925559 559282791 /nfs/dbraw/zinc/28/27/91/559282791.db2.gz BCHFAAPXJMRCDP-UHFFFAOYSA-N 1 0 350.426 2.027 20 30 FEEDRO N#CCCN(CC1CC1)C(=O)Nc1ccccc1OCCN1CC[NH2+]CC1 ZINC000416007442 559288808 /nfs/dbraw/zinc/28/88/08/559288808.db2.gz AUJNRNWBGDOKKQ-UHFFFAOYSA-N 1 0 371.485 2.128 20 30 FEEDRO Cc1cc(NC(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)c(C#N)cc1N(C)C ZINC000417125739 559349004 /nfs/dbraw/zinc/34/90/04/559349004.db2.gz BXIGUYFQVFONAG-OAHLLOKOSA-N 1 0 373.501 2.242 20 30 FEEDRO C=C(C)Cn1c(-c2ncccn2)nnc1N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000417489233 559364147 /nfs/dbraw/zinc/36/41/47/559364147.db2.gz BBYGWNIBZJOTLL-MRXNPFEDSA-N 1 0 355.490 2.479 20 30 FEEDRO N#Cc1ccc(N2CCC[C@@H](NC(=O)N3CCCC[C@H]3C[NH3+])C2)c(F)c1 ZINC000417577489 559367355 /nfs/dbraw/zinc/36/73/55/559367355.db2.gz LSCSSMQILPPVHN-CVEARBPZSA-N 1 0 359.449 2.189 20 30 FEEDRO CCCC[C@@H](C[NH3+])NC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000417579969 559367669 /nfs/dbraw/zinc/36/76/69/559367669.db2.gz QHAYAUYUEKSPLN-HOTGVXAUSA-N 1 0 361.465 2.483 20 30 FEEDRO C=C(C)[C@H](NC(=O)NCCCN1CC[NH2+]CC1)c1ccc(F)c(F)c1 ZINC000418037869 559387544 /nfs/dbraw/zinc/38/75/44/559387544.db2.gz XWRGILGAYVSACQ-KRWDZBQOSA-N 1 0 352.429 2.177 20 30 FEEDRO N#Cc1c(F)cccc1N1CCN(C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000418433888 559401553 /nfs/dbraw/zinc/40/15/53/559401553.db2.gz VIEMROSBFRIWAH-WMLDXEAASA-N 1 0 359.449 2.046 20 30 FEEDRO CN(CCOCc1ccc(C#N)cc1)C(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000418663818 559410305 /nfs/dbraw/zinc/41/03/05/559410305.db2.gz YYTVMXWMRSEDNV-RBUKOAKNSA-N 1 0 356.470 2.104 20 30 FEEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC[C@@]1(COC)CCC[NH2+]1 ZINC000418661346 559410326 /nfs/dbraw/zinc/41/03/26/559410326.db2.gz ZFPMQAYABDLVHF-LJQANCHMSA-N 1 0 363.506 2.320 20 30 FEEDRO C[C@@H](C[NH3+])CNC(=O)C(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000419203980 559432542 /nfs/dbraw/zinc/43/25/42/559432542.db2.gz HKVJBDPMRACSAN-GJZGRUSLSA-N 1 0 364.449 2.113 20 30 FEEDRO C=C(C)[C@H](NC(=O)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+])c1ccc(F)c(F)c1 ZINC000419668889 559452855 /nfs/dbraw/zinc/45/28/55/559452855.db2.gz ATJFTPCFBAGOPA-XYPHTWIQSA-N 1 0 365.424 2.332 20 30 FEEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)NCC1([NH+](C)C)CC1 ZINC000419794811 559459644 /nfs/dbraw/zinc/45/96/44/559459644.db2.gz HSJOBUIJIIXAAY-CYBMUJFWSA-N 1 0 360.483 2.087 20 30 FEEDRO C[NH+](C)CC[C@@](C)(O)CNC(=O)c1cn(CCCC#N)c2ccccc12 ZINC000420004517 559468502 /nfs/dbraw/zinc/46/85/02/559468502.db2.gz WJTBETXAHQOTPS-HXUWFJFHSA-N 1 0 356.470 2.378 20 30 FEEDRO C[NH+](C)CC[C@](C)(O)CNC(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC000420031776 559469671 /nfs/dbraw/zinc/46/96/71/559469671.db2.gz FSCPXNIIVPJPSN-FQEVSTJZSA-N 1 0 371.437 2.163 20 30 FEEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000420061275 559470666 /nfs/dbraw/zinc/47/06/66/559470666.db2.gz ASJCSTWZMRMUFW-UHFFFAOYSA-N 1 0 369.918 2.422 20 30 FEEDRO COc1cc(C#N)ccc1S(=O)(=O)N1C[C@@H](C)NCc2ccccc21 ZINC000420465579 559488885 /nfs/dbraw/zinc/48/88/85/559488885.db2.gz VZFCFYXKVQZJOA-CYBMUJFWSA-N 1 0 357.435 2.254 20 30 FEEDRO CCc1ccc([C@@H](CNC(=O)C(=O)NCC(C)(C)CC#N)[NH+](C)C)cc1 ZINC000420837130 559507133 /nfs/dbraw/zinc/50/71/33/559507133.db2.gz FITOTDAKBGIIHC-QGZVFWFLSA-N 1 0 358.486 2.024 20 30 FEEDRO CC1CC[NH+](C2CCC(NC(=O)C(=O)NCC(C)(C)CC#N)CC2)CC1 ZINC000422381415 559583644 /nfs/dbraw/zinc/58/36/44/559583644.db2.gz QNKVPEAGYIZYJA-UHFFFAOYSA-N 1 0 362.518 2.202 20 30 FEEDRO C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000422432131 559587936 /nfs/dbraw/zinc/58/79/36/559587936.db2.gz MDFJLWBSPNHTAM-QUCCMNQESA-N 1 0 369.509 2.423 20 30 FEEDRO C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000422523741 559592778 /nfs/dbraw/zinc/59/27/78/559592778.db2.gz DMQWZKFFOFINNS-SFHVURJKSA-N 1 0 357.498 2.233 20 30 FEEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000423023290 559615556 /nfs/dbraw/zinc/61/55/56/559615556.db2.gz JJZBBRUHBBCKHK-QGZVFWFLSA-N 1 0 367.902 2.128 20 30 FEEDRO C=CCN(CCc1ccccc1)C(=O)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000423183762 559622308 /nfs/dbraw/zinc/62/23/08/559622308.db2.gz GZCCESMDSIGUTL-UHFFFAOYSA-N 1 0 369.509 2.234 20 30 FEEDRO C=C(C)CN(Cc1ccccc1)C(=O)C(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000423367995 559626942 /nfs/dbraw/zinc/62/69/42/559626942.db2.gz MTSOGGUCWZSZRP-VQTJNVASSA-N 1 0 369.509 2.439 20 30 FEEDRO CN(CCOc1ccc(Br)cc1)C(=O)[C@H]([NH3+])CCCC#N ZINC000424073020 559653754 /nfs/dbraw/zinc/65/37/54/559653754.db2.gz DUKZPRUDAAMWFB-CQSZACIVSA-N 1 0 354.248 2.307 20 30 FEEDRO CCOc1cc2c(cc1[C@@H]1C[C@@H]1NC(=O)[C@@H]([NH3+])CCCC#N)O[C@H](C)C2 ZINC000424135191 559655803 /nfs/dbraw/zinc/65/58/03/559655803.db2.gz JANBBYMSYYGDGF-QCPWZWHMSA-N 1 0 357.454 2.402 20 30 FEEDRO N#CCCC[C@H]([NH3+])C(=O)N1CCc2c(ncn2CCc2ccccc2)C1 ZINC000424176434 559656804 /nfs/dbraw/zinc/65/68/04/559656804.db2.gz XTTRDRKIHLDPHZ-KRWDZBQOSA-N 1 0 351.454 2.032 20 30 FEEDRO C=CCCn1cc(C(=O)Nc2ccc(CN3CC[NH+](CC)CC3)cc2)nn1 ZINC000424589213 559670394 /nfs/dbraw/zinc/67/03/94/559670394.db2.gz WVUVOGWGAACQLP-UHFFFAOYSA-N 1 0 368.485 2.244 20 30 FEEDRO C=CCC1(C(=O)N2CCC([NH+]3CCN(C(C)C)CC3)CC2)CCOCC1 ZINC000424750432 559675619 /nfs/dbraw/zinc/67/56/19/559675619.db2.gz SLPLYICROXBXGJ-UHFFFAOYSA-N 1 0 363.546 2.376 20 30 FEEDRO C=CCCn1cc(C(=O)N[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)nn1 ZINC000424778347 559676387 /nfs/dbraw/zinc/67/63/87/559676387.db2.gz DYRGJXBUKUPLHY-WMZOPIPTSA-N 1 0 353.470 2.495 20 30 FEEDRO C=CCCn1cc(C(=O)Nc2ccc(C)c(NC(=O)CC[NH+](C)C)c2)nn1 ZINC000424788222 559676673 /nfs/dbraw/zinc/67/66/73/559676673.db2.gz VUFGXXFJCBGVDO-UHFFFAOYSA-N 1 0 370.457 2.305 20 30 FEEDRO COc1cc(C#N)ccc1OCCCC(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21 ZINC000425057027 559685425 /nfs/dbraw/zinc/68/54/25/559685425.db2.gz LINPYQMDQMFLAO-DLBZAZTESA-N 1 0 357.454 2.278 20 30 FEEDRO Cc1cc(NCc2cccc(C(=O)NC[C@H]3CCCO3)c2)c(C#N)cn1 ZINC000425217560 559691905 /nfs/dbraw/zinc/69/19/05/559691905.db2.gz VBKVGXLMSGYVOL-GOSISDBHSA-N 1 0 350.422 2.205 20 30 FEEDRO C=CCn1cc(CNC(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)nn1 ZINC000425395642 559700048 /nfs/dbraw/zinc/70/00/48/559700048.db2.gz NTZYCRAEVHAUDI-GOSISDBHSA-N 1 0 354.458 2.100 20 30 FEEDRO COC(=O)[C@@H](CC[NH+]1CCN(c2ccc(C#N)cn2)CC1)c1ccccc1 ZINC000425401097 559700256 /nfs/dbraw/zinc/70/02/56/559700256.db2.gz DKIRKORIGZRRSX-IBGZPJMESA-N 1 0 364.449 2.422 20 30 FEEDRO CCN(C[C@@H](C)C#N)C(=O)CN1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000425504376 559706476 /nfs/dbraw/zinc/70/64/76/559706476.db2.gz WAUSCIAATJUHHX-YSIASYRMSA-N 1 0 354.498 2.201 20 30 FEEDRO N#Cc1cccc(NC(=O)C[NH2+][C@@H](C2CCOCC2)C2(CO)CCC2)c1 ZINC000425531946 559708158 /nfs/dbraw/zinc/70/81/58/559708158.db2.gz BFSGAAFNLGBJPO-IBGZPJMESA-N 1 0 357.454 2.044 20 30 FEEDRO C=CCn1cc(CNC(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)nn1 ZINC000425561355 559709766 /nfs/dbraw/zinc/70/97/66/559709766.db2.gz ANOUGDBMBPDWRA-IBGZPJMESA-N 1 0 368.485 2.409 20 30 FEEDRO C[C@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)NCCC[NH+]1CCCCC1 ZINC000425870789 559723526 /nfs/dbraw/zinc/72/35/26/559723526.db2.gz WRESSWZSNKHRFW-MRXNPFEDSA-N 1 0 356.470 2.070 20 30 FEEDRO C[C@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)NC1CCC([NH+](C)C)CC1 ZINC000425910524 559725043 /nfs/dbraw/zinc/72/50/43/559725043.db2.gz WHDWXKUUTZNTLN-RWBZWWBESA-N 1 0 356.470 2.067 20 30 FEEDRO O=C(C[N@H+]1CCC[C@H]1CCO)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000426251047 559731568 /nfs/dbraw/zinc/73/15/68/559731568.db2.gz WFGHQEAMCNKGCP-INIZCTEOSA-N 1 0 354.372 2.020 20 30 FEEDRO Cc1nsc(N2CCN(C(=O)c3ccccc3C[NH+](C)C)CC2)c1C#N ZINC000427592592 559758436 /nfs/dbraw/zinc/75/84/36/559758436.db2.gz QCNUSEFFJADPLW-UHFFFAOYSA-N 1 0 369.494 2.347 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)NC[C@@]2(CO)C[C@@H]2c2ccc(F)cc2)CC1 ZINC000428591684 559779270 /nfs/dbraw/zinc/77/92/70/559779270.db2.gz RMRYWNFPIXNQKH-UYAOXDASSA-N 1 0 361.461 2.241 20 30 FEEDRO N#Cc1ccc(O[C@@H]2CC[N@@H+](C[C@H](O)COc3ccc(Cl)cc3)C2)nc1 ZINC000428792494 559783545 /nfs/dbraw/zinc/78/35/45/559783545.db2.gz XBMAKMUDVUABQG-FUHWJXTLSA-N 1 0 373.840 2.500 20 30 FEEDRO CS(=O)(=O)CC[C@H]1CCCC[N@@H+]1CCC(=O)Nc1cccc(C#N)c1 ZINC000428864264 559785212 /nfs/dbraw/zinc/78/52/12/559785212.db2.gz SIRFSNQNUBZRDA-QGZVFWFLSA-N 1 0 363.483 2.176 20 30 FEEDRO C[C@@H]1CC[N@H+](C)CCN1C(=O)NC1CCC(Oc2ncccc2C#N)CC1 ZINC000527352271 562286203 /nfs/dbraw/zinc/28/62/03/562286203.db2.gz FNJFGEZNURWKHG-FAEJEUNOSA-N 1 0 371.485 2.379 20 30 FEEDRO CC(=O)N[C@H]1CCCN(C(=O)C[NH2+][C@H](CCCC#N)c2ccccc2)C1 ZINC000433014516 559869904 /nfs/dbraw/zinc/86/99/04/559869904.db2.gz SJBAIEDEPAWYRY-RBUKOAKNSA-N 1 0 356.470 2.138 20 30 FEEDRO CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1cc(C#N)ccc1OC ZINC000438205354 559975549 /nfs/dbraw/zinc/97/55/49/559975549.db2.gz AONVMDNYVDATFL-KRWDZBQOSA-N 1 0 373.501 2.447 20 30 FEEDRO CCOC(=O)CNC(=O)C1CC[NH+](Cc2ccc(C#N)cc2Cl)CC1 ZINC000439447961 559993998 /nfs/dbraw/zinc/99/39/98/559993998.db2.gz GIKWALLYWPGMPE-UHFFFAOYSA-N 1 0 363.845 2.103 20 30 FEEDRO CC(C)(C)OC(=O)CN[C@]1(C)CC[N@H+](CCCC2(C#N)CCOCC2)C1 ZINC000440502048 560012657 /nfs/dbraw/zinc/01/26/57/560012657.db2.gz RCFBJAPXFYGSJR-LJQANCHMSA-N 1 0 365.518 2.483 20 30 FEEDRO COc1cc(C[NH2+]CCOc2ccc(S(C)(=O)=O)cc2)ccc1C#N ZINC000440829388 560019119 /nfs/dbraw/zinc/01/91/19/560019119.db2.gz VZTXQADTPGZFOC-UHFFFAOYSA-N 1 0 360.435 2.139 20 30 FEEDRO CC(C)C[N@@H+](Cc1ccc(C#N)cc1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000441519830 560034994 /nfs/dbraw/zinc/03/49/94/560034994.db2.gz BNNDURHWWYEAOB-GOSISDBHSA-N 1 0 357.414 2.182 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNS(=O)(=O)c1cn2c(n1)CCCC2)C(C)C ZINC000444109817 560102161 /nfs/dbraw/zinc/10/21/61/560102161.db2.gz HOEBZRWLGRFUNB-MRXNPFEDSA-N 1 0 366.531 2.196 20 30 FEEDRO C=CC[C@H]1[N@@H+](CC(=O)Nc2ccc(S(N)(=O)=O)cc2)CCCC1(C)C ZINC000444784359 560120727 /nfs/dbraw/zinc/12/07/27/560120727.db2.gz NMWFLAAIKCGAFZ-MRXNPFEDSA-N 1 0 365.499 2.339 20 30 FEEDRO C[NH+](C)C1(CNC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)CCC1 ZINC000445858608 560135735 /nfs/dbraw/zinc/13/57/35/560135735.db2.gz YEJKSSOGXUYDER-INIZCTEOSA-N 1 0 373.476 2.450 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccnn2[C@@H](C)CC(C)C)CC1 ZINC000446737220 560150859 /nfs/dbraw/zinc/15/08/59/560150859.db2.gz UQTYHVCEDABALX-HNNXBMFYSA-N 1 0 361.490 2.195 20 30 FEEDRO C=CCCCNC(=O)N1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000448029008 560176126 /nfs/dbraw/zinc/17/61/26/560176126.db2.gz FRZOBVKLCWALQA-UHFFFAOYSA-N 1 0 360.502 2.425 20 30 FEEDRO COc1ccccc1[C@H](CNC(=O)c1ccc(C#N)n1C)[NH+]1CCCC1 ZINC000448583310 560191293 /nfs/dbraw/zinc/19/12/93/560191293.db2.gz RRIDTPDVEVBSDH-SFHVURJKSA-N 1 0 352.438 2.472 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000448855596 560203000 /nfs/dbraw/zinc/20/30/00/560203000.db2.gz ZHHWBVZYDWQKNQ-GMBSWORKSA-N 1 0 361.461 2.346 20 30 FEEDRO CCC[NH+]1CCN(C(=O)COc2ccc(C#N)c(Br)c2)CC1 ZINC000449828440 560241574 /nfs/dbraw/zinc/24/15/74/560241574.db2.gz XBLKRBUCHVGNMD-UHFFFAOYSA-N 1 0 366.259 2.254 20 30 FEEDRO C[C@H](CNC(=O)COc1cccc(Br)c1C#N)[N@H+](C)C1CC1 ZINC000449834193 560241837 /nfs/dbraw/zinc/24/18/37/560241837.db2.gz JHJBGWCOZDVJPK-LLVKDONJSA-N 1 0 366.259 2.298 20 30 FEEDRO CN(C[C@@H](c1cccs1)N1CCOCC1)C(=O)c1ccc(C#N)n1C ZINC000450046578 560249110 /nfs/dbraw/zinc/24/91/10/560249110.db2.gz SRZUZQRHTBYHHC-INIZCTEOSA-N 1 0 358.467 2.104 20 30 FEEDRO C[C@@H]1C[NH+](C)C[C@@H](C)N1C(=O)COc1ccc(C#N)c(Br)c1 ZINC000450245535 560255614 /nfs/dbraw/zinc/25/56/14/560255614.db2.gz YJLCRBZXAQCODL-VXGBXAGGSA-N 1 0 366.259 2.251 20 30 FEEDRO C[C@H](c1ccccc1)[C@H](O)C[N@@H+]1CCN(c2nccnc2C#N)C[C@H]1C ZINC000450480658 560263654 /nfs/dbraw/zinc/26/36/54/560263654.db2.gz BWQLYKFMWIDODR-GPMSIDNRSA-N 1 0 351.454 2.023 20 30 FEEDRO Cc1ccc(NC(=O)c2ccc(C#N)n2C)cc1NC(=O)CC[NH+](C)C ZINC000450647693 560269107 /nfs/dbraw/zinc/26/91/07/560269107.db2.gz JEBBSAYHUUUWPE-UHFFFAOYSA-N 1 0 353.426 2.348 20 30 FEEDRO CCCCO[C@H]1C[C@@H]([NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)C1(C)C ZINC000450964092 560280211 /nfs/dbraw/zinc/28/02/11/560280211.db2.gz CSTHIIKRYGAEMA-CVEARBPZSA-N 1 0 365.499 2.300 20 30 FEEDRO CCN(CCC[NH+](C)C)C(=O)COc1cccc(Br)c1C#N ZINC000451107424 560287595 /nfs/dbraw/zinc/28/75/95/560287595.db2.gz RIHUGDLCGHNERA-UHFFFAOYSA-N 1 0 368.275 2.500 20 30 FEEDRO CC(C)(CC#N)CS(=O)(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000451162866 560290602 /nfs/dbraw/zinc/29/06/02/560290602.db2.gz AWBPHBKAMKQOAF-SFHVURJKSA-N 1 0 363.527 2.410 20 30 FEEDRO Cc1ccccc1CC[N@@H+](C)CC(=O)N1CCN([C@H](C#N)C(C)C)CC1 ZINC000451168908 560291151 /nfs/dbraw/zinc/29/11/51/560291151.db2.gz YCRREWJCJCZQMC-HXUWFJFHSA-N 1 0 356.514 2.162 20 30 FEEDRO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC[C@@H](CC(C)(C)C(N)=O)C1 ZINC000451214738 560293687 /nfs/dbraw/zinc/29/36/87/560293687.db2.gz XUJHOJMCNLSGMW-HOTGVXAUSA-N 1 0 362.518 2.331 20 30 FEEDRO CC[C@@H]1[C@H](CO)CC[N@@H+]1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000451253351 560296112 /nfs/dbraw/zinc/29/61/12/560296112.db2.gz JNWGCEWMFDTREN-DOTOQJQBSA-N 1 0 368.399 2.266 20 30 FEEDRO CN(CCC#N)C(=O)CC[NH2+][C@@H](CCO)c1cccc(C(F)(F)F)c1 ZINC000451302997 560298976 /nfs/dbraw/zinc/29/89/76/560298976.db2.gz FXIWSPYADWYYFP-HNNXBMFYSA-N 1 0 357.376 2.481 20 30 FEEDRO C=C(C)Cn1c([C@H](C)OCCOC)nnc1N(C)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000453448473 560386850 /nfs/dbraw/zinc/38/68/50/560386850.db2.gz CLUYYQUWHSYBFC-DLBZAZTESA-N 1 0 365.522 2.497 20 30 FEEDRO C=C(C)Cn1c([C@@H]2CCCO2)nnc1N1CC[N@H+](CCOC)[C@@H](CC)C1 ZINC000453465611 560387412 /nfs/dbraw/zinc/38/74/12/560387412.db2.gz NJEAQPJDXXCNNG-IRXDYDNUSA-N 1 0 363.506 2.253 20 30 FEEDRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)C(=O)Nc2cccc(CC#N)c2)C1 ZINC000453600237 560390511 /nfs/dbraw/zinc/39/05/11/560390511.db2.gz OGOIKPKDFVZWRX-HOTGVXAUSA-N 1 0 356.470 2.175 20 30 FEEDRO Cc1cc(C#N)cc(NC(=O)C(=O)N[C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000453614894 560391369 /nfs/dbraw/zinc/39/13/69/560391369.db2.gz PVGSLFRYDCGJCG-OWCLPIDISA-N 1 0 356.470 2.288 20 30 FEEDRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)Nc1cccc(CC#N)c1 ZINC000453617654 560391516 /nfs/dbraw/zinc/39/15/16/560391516.db2.gz YRFUUPJQVYDHGK-INIZCTEOSA-N 1 0 356.470 2.462 20 30 FEEDRO C[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)CC[N@@H+]1C ZINC000453666038 560394872 /nfs/dbraw/zinc/39/48/72/560394872.db2.gz WBQBKQTZPVOVHB-BBRMVZONSA-N 1 0 372.469 2.273 20 30 FEEDRO Cc1nc(NC(=O)C(=O)NCC2CC[NH+](CCC(C)C)CC2)ccc1C#N ZINC000453668417 560395114 /nfs/dbraw/zinc/39/51/14/560395114.db2.gz JYSJBACBSMTAEH-UHFFFAOYSA-N 1 0 371.485 2.075 20 30 FEEDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(CC#N)cc2Cl)C1 ZINC000453672559 560395445 /nfs/dbraw/zinc/39/54/45/560395445.db2.gz NVUNBTVGQILDJP-KGLIPLIRSA-N 1 0 362.861 2.334 20 30 FEEDRO C=C[C@H](C)NC(=O)C(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1 ZINC000453681382 560396378 /nfs/dbraw/zinc/39/63/78/560396378.db2.gz UTTTYUXRANGILA-LBPRGKRZSA-N 1 0 365.861 2.442 20 30 FEEDRO CCN(CCC[NH+](C)C)C(=O)C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 ZINC000453719293 560399437 /nfs/dbraw/zinc/39/94/37/560399437.db2.gz ADJPXRSDXHRDJW-UHFFFAOYSA-N 1 0 374.485 2.474 20 30 FEEDRO CC(C)[N@H+](C)C[C@H](C)NC(=O)C(=O)Nc1ccc(CC#N)cc1Cl ZINC000453745031 560401184 /nfs/dbraw/zinc/40/11/84/560401184.db2.gz GIDPITCCXQDQGZ-LBPRGKRZSA-N 1 0 350.850 2.189 20 30 FEEDRO CC[C@H](C)[NH2+][C@@H](CNC(=O)C(=O)Nc1ccc(C#N)c(C)n1)c1ccco1 ZINC000453754290 560401725 /nfs/dbraw/zinc/40/17/25/560401725.db2.gz WDROIPWJTFSPHA-WFASDCNBSA-N 1 0 369.425 2.039 20 30 FEEDRO CC[C@H](C)[NH2+][C@H](CNC(=O)C(=O)Nc1ccc(C#N)c(C)n1)c1ccco1 ZINC000453754289 560401751 /nfs/dbraw/zinc/40/17/51/560401751.db2.gz WDROIPWJTFSPHA-SWLSCSKDSA-N 1 0 369.425 2.039 20 30 FEEDRO C[C@@H]1CN(C(=O)C(=O)Nc2cccc(CC#N)c2)CC[N@@H+](C2CCC2)C1 ZINC000453768150 560402904 /nfs/dbraw/zinc/40/29/04/560402904.db2.gz UFUXNDDRDHHDMV-HNNXBMFYSA-N 1 0 354.454 2.024 20 30 FEEDRO C[N@H+](CCc1cccc(NC(=O)C(=O)N[C@H]2CC[C@@H](CC#N)C2)c1)C1CC1 ZINC000453862258 560408987 /nfs/dbraw/zinc/40/89/87/560408987.db2.gz YOODCNHSVMEAQD-WMZOPIPTSA-N 1 0 368.481 2.460 20 30 FEEDRO C=C(CC)CNC(=O)C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000454037377 560423852 /nfs/dbraw/zinc/42/38/52/560423852.db2.gz UJKIAMDLBDWQDV-UHFFFAOYSA-N 1 0 361.511 2.299 20 30 FEEDRO C=CCC[C@@H](CO)NC(=O)C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000454049619 560424918 /nfs/dbraw/zinc/42/49/18/560424918.db2.gz CNTDSFXSSYSFHK-APWZRJJASA-N 1 0 373.497 2.300 20 30 FEEDRO C[NH+](C)CCOc1cccc(NC(=O)C(=O)Nc2cccc(CC#N)c2)c1 ZINC000454050853 560425008 /nfs/dbraw/zinc/42/50/08/560425008.db2.gz ZYSFLUFWHJIRSV-UHFFFAOYSA-N 1 0 366.421 2.270 20 30 FEEDRO CC(C)Oc1ccc(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)cc1C#N ZINC000454103528 560429436 /nfs/dbraw/zinc/42/94/36/560429436.db2.gz PMKNXHDSZVPTCG-KRWDZBQOSA-N 1 0 372.469 2.225 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@H](CC(C)(C)C(N)=O)C2)CC1 ZINC000454455487 560445088 /nfs/dbraw/zinc/44/50/88/560445088.db2.gz CIKJTBWDSCWJOD-MRXNPFEDSA-N 1 0 364.534 2.350 20 30 FEEDRO CC[NH+]1CCN([C@@H]2CCN(C(=O)C(C)(C)Cc3ccc(C#N)cc3)C2)CC1 ZINC000455557194 560487072 /nfs/dbraw/zinc/48/70/72/560487072.db2.gz ZCDAVODVGIFMHV-HXUWFJFHSA-N 1 0 368.525 2.365 20 30 FEEDRO N#CCc1ccc(NC(=O)NCC2CC[NH+](CCO)CC2)c(Cl)c1 ZINC000455702376 560492407 /nfs/dbraw/zinc/49/24/07/560492407.db2.gz LFWICNUAEJHCRE-UHFFFAOYSA-N 1 0 350.850 2.232 20 30 FEEDRO CC(C)(Cc1ccc(C#N)cc1)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000455884993 560499001 /nfs/dbraw/zinc/49/90/01/560499001.db2.gz WYEWOXWPMCOUQE-IBGZPJMESA-N 1 0 355.482 2.308 20 30 FEEDRO CCOC(=O)CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)c1cc(C)c(C#N)cn1 ZINC000457492122 560570418 /nfs/dbraw/zinc/57/04/18/560570418.db2.gz SZPMDAGHNRHBAA-KRWDZBQOSA-N 1 0 372.469 2.141 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1[C@@H]2CC[C@H]1CN(C)C(=O)C2)C(C)C ZINC000457736989 560584981 /nfs/dbraw/zinc/58/49/81/560584981.db2.gz DMFGSKNSHNEYCW-FGTMMUONSA-N 1 0 362.518 2.090 20 30 FEEDRO N#CCCC[C@H](NC(=O)NCC1CC[NH+](CCO)CC1)c1ccccc1 ZINC000458379319 560618654 /nfs/dbraw/zinc/61/86/54/560618654.db2.gz XVITZJPSGBWVLQ-IBGZPJMESA-N 1 0 358.486 2.425 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC000458734776 560644663 /nfs/dbraw/zinc/64/46/63/560644663.db2.gz MTTXLPWWHMCUPO-BBCBXFPWSA-N 1 0 365.518 2.251 20 30 FEEDRO COCCN(Cc1ccc(C#N)cc1)C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000459274087 560677008 /nfs/dbraw/zinc/67/70/08/560677008.db2.gz ZHGXCKOSVUPROO-GOSISDBHSA-N 1 0 358.486 2.448 20 30 FEEDRO Cc1cc(=NC(=O)N(CC[NH+](C)C)Cc2ccsc2)[nH]n1CCC#N ZINC000459469207 560688207 /nfs/dbraw/zinc/68/82/07/560688207.db2.gz CHYWRBDWNGETDR-UHFFFAOYSA-N 1 0 360.487 2.762 20 30 FEEDRO CN(C)CC(C)(C)[NH2+]CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000459549992 560693506 /nfs/dbraw/zinc/69/35/06/560693506.db2.gz OCCDOCNJKTVEOL-UHFFFAOYSA-N 1 0 355.404 2.103 20 30 FEEDRO C=CCN(Cc1ccccc1)C(=O)C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000459985211 560726440 /nfs/dbraw/zinc/72/64/40/560726440.db2.gz GJZPYWQFQQYUOT-UHFFFAOYSA-N 1 0 355.482 2.288 20 30 FEEDRO C=CCN(CCc1ccccc1)C(=O)C(=O)N1CC[C@H]([NH+](CC)CC)C1 ZINC000460074220 560733385 /nfs/dbraw/zinc/73/33/85/560733385.db2.gz ZASJFCJNIOZUAL-IBGZPJMESA-N 1 0 357.498 2.186 20 30 FEEDRO N#C[C@H]1CCC[C@H]1NC(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000461954023 560789401 /nfs/dbraw/zinc/78/94/01/560789401.db2.gz FKLNRRPYHVSYAA-IEBWSBKVSA-N 1 0 356.470 2.135 20 30 FEEDRO CN1CC[N@H+](CCCNC(=O)N[C@@H]2CCC[C@H]2C#N)[C@H](c2ccccc2)C1 ZINC000461961465 560789908 /nfs/dbraw/zinc/78/99/08/560789908.db2.gz VASUFVRJIHYORT-ZCNNSNEGSA-N 1 0 369.513 2.357 20 30 FEEDRO COCC[N@H+](C)CCOc1cccc(CNC(=O)N[C@@H]2CCC[C@H]2C#N)c1 ZINC000461960238 560789941 /nfs/dbraw/zinc/78/99/41/560789941.db2.gz SXSKLKJVDDREBZ-PKOBYXMFSA-N 1 0 374.485 2.135 20 30 FEEDRO COC(=O)[C@H](C)[C@H]([NH2+]CC(=O)NCc1cccc(C#N)c1)c1ccccc1 ZINC000464873812 560854260 /nfs/dbraw/zinc/85/42/60/560854260.db2.gz HXQYRIOUJAJDGQ-QRWLVFNGSA-N 1 0 365.433 2.314 20 30 FEEDRO COC(=O)[C@H](C)[C@@H]([NH2+]CC(=O)NCc1ccc(C#N)cc1)c1ccccc1 ZINC000464887530 560854649 /nfs/dbraw/zinc/85/46/49/560854649.db2.gz NPVIXQFMSKHFFG-FOIQADDNSA-N 1 0 365.433 2.314 20 30 FEEDRO Cc1ccc(C#N)cc1S(=O)(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000466739203 560894157 /nfs/dbraw/zinc/89/41/57/560894157.db2.gz IACAFRPFCKDPPS-UHFFFAOYSA-N 1 0 357.479 2.449 20 30 FEEDRO COc1cc[nH+]c(N2CCN(C(=O)NCCc3cccc(C#N)c3)CC2)c1 ZINC000466809673 560896248 /nfs/dbraw/zinc/89/62/48/560896248.db2.gz QNGWIXDFQALPQE-UHFFFAOYSA-N 1 0 365.437 2.036 20 30 FEEDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2c(F)cc(C#N)cc2F)C[C@H]1C ZINC000467155405 560905073 /nfs/dbraw/zinc/90/50/73/560905073.db2.gz OIGPZRUKMXWBAX-DGCLKSJQSA-N 1 0 357.426 2.330 20 30 FEEDRO C=CC[C@@H](CO)[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000467412541 560909631 /nfs/dbraw/zinc/90/96/31/560909631.db2.gz SOTQMXYXJJGMGK-AAEUAGOBSA-N 1 0 360.273 2.194 20 30 FEEDRO C=C[C@@](C)(O)CC(=O)N[C@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1 ZINC000469628177 560960007 /nfs/dbraw/zinc/96/00/07/560960007.db2.gz VKQPCWQYCUQUGX-FOIQADDNSA-N 1 0 363.477 2.472 20 30 FEEDRO N#Cc1ccccc1-c1ccc(C[N@H+]2CCC[C@@H](S(N)(=O)=O)C2)cc1 ZINC000471149110 560999314 /nfs/dbraw/zinc/99/93/14/560999314.db2.gz YTVLWTGFHBIQLA-GOSISDBHSA-N 1 0 355.463 2.478 20 30 FEEDRO N#Cc1ccc(OC[C@@H](O)C[NH+]2CCC(Oc3ccccn3)CC2)cc1 ZINC000471161805 560999419 /nfs/dbraw/zinc/99/94/19/560999419.db2.gz MFOYICKPXOQSFF-KRWDZBQOSA-N 1 0 353.422 2.236 20 30 FEEDRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)[C@@H](C)Oc2ccc(C#N)cc2)C1 ZINC000471530789 561006504 /nfs/dbraw/zinc/00/65/04/561006504.db2.gz LYIVOAMAWKLXPC-VQIMIIECSA-N 1 0 359.470 2.285 20 30 FEEDRO Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)n1 ZINC000471814752 561012360 /nfs/dbraw/zinc/01/23/60/561012360.db2.gz FIXRBWRCYGABCB-GBESFXJTSA-N 1 0 367.497 2.221 20 30 FEEDRO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000472623555 561031218 /nfs/dbraw/zinc/03/12/18/561031218.db2.gz MARIOJWDJAFLAV-ZWKOTPCHSA-N 1 0 365.499 2.319 20 30 FEEDRO C[NH+]1CCC(C(=O)N2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)CC1 ZINC000473566139 561052813 /nfs/dbraw/zinc/05/28/13/561052813.db2.gz HBHBAPJBJQWTBU-GOSISDBHSA-N 1 0 360.889 2.391 20 30 FEEDRO CC1([NH+]2CCOCC2)CCN(c2ncc(Br)cc2C#N)CC1 ZINC000528190441 562318219 /nfs/dbraw/zinc/31/82/19/562318219.db2.gz NGBKXGXIJWCWMF-UHFFFAOYSA-N 1 0 365.275 2.407 20 30 FEEDRO O=C1c2ccccc2C(=O)N1CC#CCN1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000528371209 562325439 /nfs/dbraw/zinc/32/54/39/562325439.db2.gz GGTYMYZJSFVXMN-GOSISDBHSA-N 1 0 365.477 2.236 20 30 FEEDRO N#CC(CC[NH+]1C[C@@H](CO)[C@H](CO)C1)(c1ccccc1)c1ccccc1 ZINC000528604990 562338105 /nfs/dbraw/zinc/33/81/05/562338105.db2.gz PZUPLZYMCPCJMG-OALUTQOASA-N 1 0 350.462 2.419 20 30 FEEDRO N#Cc1ccccc1Oc1ccc(NC(=O)NC[C@H]2COCC[NH2+]2)cc1 ZINC000528678776 562341448 /nfs/dbraw/zinc/34/14/48/562341448.db2.gz ZHJFWJHASBUFSA-INIZCTEOSA-N 1 0 352.394 2.460 20 30 FEEDRO N#Cc1cccnc1OC1CCC(NC(=O)N[C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000529324657 562369553 /nfs/dbraw/zinc/36/95/53/562369553.db2.gz RMBKICFYDNBSLC-OFLPRAFFSA-N 1 0 369.469 2.227 20 30 FEEDRO CC(C)[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)[C@H](C)n1cnc(C#N)n1 ZINC000529701488 562381562 /nfs/dbraw/zinc/38/15/62/562381562.db2.gz IDFRWHDJPNQJJA-FUHWJXTLSA-N 1 0 366.469 2.080 20 30 FEEDRO CC(C)[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)[C@@H](C)n1cnc(C#N)n1 ZINC000529701489 562381669 /nfs/dbraw/zinc/38/16/69/562381669.db2.gz IDFRWHDJPNQJJA-SJLPKXTDSA-N 1 0 366.469 2.080 20 30 FEEDRO N#Cc1ccccc1OC[C@H](O)C[NH2+][C@@H]1CCCN(c2ccccc2)C1=O ZINC000530230187 562403120 /nfs/dbraw/zinc/40/31/20/562403120.db2.gz FDHFHJFTGCHTQD-RTBURBONSA-N 1 0 365.433 2.083 20 30 FEEDRO CCOc1cccc(CCC(=O)Nc2n[nH]c(CCC[NH2+]C)c2C#N)c1 ZINC000530261016 562404397 /nfs/dbraw/zinc/40/43/97/562404397.db2.gz GHCNBILWODWJGB-UHFFFAOYSA-N 1 0 355.442 2.403 20 30 FEEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+]2C[C@@H](O)C[C@@H]2C)c1C#N ZINC000530361207 562408159 /nfs/dbraw/zinc/40/81/59/562408159.db2.gz CBLRFWSQZFVNNM-BBRMVZONSA-N 1 0 370.453 2.402 20 30 FEEDRO N#CCN1CCC[C@H](CNC(=O)c2ccc(C[NH+]3CCSCC3)cc2)C1 ZINC000530880838 562427192 /nfs/dbraw/zinc/42/71/92/562427192.db2.gz MGEBUNLWACXTEA-GOSISDBHSA-N 1 0 372.538 2.201 20 30 FEEDRO CCN(C[C@H](C)C#N)C(=O)CN1CCC[C@H](CC(=O)OC(C)(C)C)C1 ZINC000531614814 562451656 /nfs/dbraw/zinc/45/16/56/562451656.db2.gz ITPKCMVRODKUSU-HZPDHXFCSA-N 1 0 351.491 2.438 20 30 FEEDRO C=CCN1CC[C@H](N(C)[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C1=O ZINC000532204653 562470571 /nfs/dbraw/zinc/47/05/71/562470571.db2.gz XRXICWVUHQLXCF-WFASDCNBSA-N 1 0 372.494 2.154 20 30 FEEDRO COc1cc(C[NH2+]Cc2ccc(C#N)cc2F)ccc1OCC(=O)N(C)C ZINC000533311502 562504984 /nfs/dbraw/zinc/50/49/84/562504984.db2.gz DJBMNZYIJYJOQQ-UHFFFAOYSA-N 1 0 371.412 2.463 20 30 FEEDRO CC(C)C[C@H](NC(=O)N[C@@H](C)c1ccc(C#N)cc1)C(=O)NCC[NH+](C)C ZINC000533985029 562522974 /nfs/dbraw/zinc/52/29/74/562522974.db2.gz JQIQSZGUUXUMOC-YJBOKZPZSA-N 1 0 373.501 2.011 20 30 FEEDRO CS[C@H]1CN(CC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@H]1[NH+](C)C ZINC000534951977 562546045 /nfs/dbraw/zinc/54/60/45/562546045.db2.gz PPOMYQQNWRFEAN-CABCVRRESA-N 1 0 352.891 2.128 20 30 FEEDRO C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)Nc1ncc(C#N)cc1Cl ZINC000535230417 562553649 /nfs/dbraw/zinc/55/36/49/562553649.db2.gz VZNNSRXUJITABM-KRWDZBQOSA-N 1 0 371.872 2.308 20 30 FEEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[NH+]2CCC(OCCO)CC2)c1 ZINC000535245758 562553857 /nfs/dbraw/zinc/55/38/57/562553857.db2.gz GFVUPNULILKXRG-GOSISDBHSA-N 1 0 373.497 2.412 20 30 FEEDRO C=CCCOCCCCC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000537192320 562587450 /nfs/dbraw/zinc/58/74/50/562587450.db2.gz YZHGRVDIASTYHC-UHFFFAOYSA-N 1 0 351.535 2.424 20 30 FEEDRO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)[C@H](C)n1cnc(C#N)n1 ZINC000541213965 562606136 /nfs/dbraw/zinc/60/61/36/562606136.db2.gz XGPWTRSNSXXWDO-INIZCTEOSA-N 1 0 354.458 2.081 20 30 FEEDRO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)cc1 ZINC000541315270 562608876 /nfs/dbraw/zinc/60/88/76/562608876.db2.gz AMTZXAIDCOWHFR-IPELMVKDSA-N 1 0 357.454 2.035 20 30 FEEDRO Cc1nn(-c2cc[nH+]cc2)cc1CN1CCN(c2ccc(C#N)cn2)CC1 ZINC000541535613 562614627 /nfs/dbraw/zinc/61/46/27/562614627.db2.gz IABIXMZTSFICBZ-UHFFFAOYSA-N 1 0 359.437 2.165 20 30 FEEDRO N#Cc1cnn2cc(CNC3CC[NH+](CCc4ccccc4)CC3)cnc12 ZINC000550156986 562643387 /nfs/dbraw/zinc/64/33/87/562643387.db2.gz PEMJAOUPNCAASF-UHFFFAOYSA-N 1 0 360.465 2.398 20 30 FEEDRO CN(CCC#N)C[C@H](O)C[NH2+][C@@H]1CCCCCN(Cc2ccccc2)C1 ZINC000601970134 567890417 /nfs/dbraw/zinc/89/04/17/567890417.db2.gz YJAZOXBBRFSJLG-NHCUHLMSSA-N 1 0 358.530 2.227 20 30 FEEDRO N#C[C@@H](c1ccccc1)N1CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC000602044646 567911280 /nfs/dbraw/zinc/91/12/80/567911280.db2.gz XRKBMKUOURTRAU-IBGZPJMESA-N 1 0 352.482 2.271 20 30 FEEDRO CN(C(=O)c1ccc2[nH]c(=O)n(CC[NH+](C)C)c2c1)[C@H]1CCC[C@H]1C#N ZINC000602196606 567950130 /nfs/dbraw/zinc/95/01/30/567950130.db2.gz PKUOOPYTGLFMAG-HOCLYGCPSA-N 1 0 355.442 2.068 20 30 FEEDRO C[C@@H](CCC#N)C[NH+]1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1 ZINC000602469601 567980415 /nfs/dbraw/zinc/98/04/15/567980415.db2.gz VCHCDSFUSNTNIF-LBPRGKRZSA-N 1 0 355.426 2.215 20 30 FEEDRO N#CC1(CNC(=O)c2nnn(C3CC[NH2+]CC3)c2C(F)F)CCCCC1 ZINC000602520430 567987149 /nfs/dbraw/zinc/98/71/49/567987149.db2.gz GYZWUYDAPSMRCW-UHFFFAOYSA-N 1 0 366.416 2.344 20 30 FEEDRO N#CCCCC[C@@H]([NH3+])C(=O)N[C@H]1CCN(c2ccc(Cl)cc2F)C1=O ZINC000602543499 567989892 /nfs/dbraw/zinc/98/98/92/567989892.db2.gz BPUDEICYKOPASJ-KGLIPLIRSA-N 1 0 366.824 2.112 20 30 FEEDRO N#CC1CCC([NH2+]C[C@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)CC1 ZINC000602575144 567996561 /nfs/dbraw/zinc/99/65/61/567996561.db2.gz BYAMSFQNGQNKHM-QUDVFMAMSA-N 1 0 352.482 2.257 20 30 FEEDRO C[C@@H]1CN(C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C[C@H](C)N1CC#N ZINC000602852598 568001662 /nfs/dbraw/zinc/00/16/62/568001662.db2.gz DCDZXKHTAJWQQI-ZVDOUQERSA-N 1 0 356.514 2.196 20 30 FEEDRO Cc1ccc(Cl)c(OC[C@H](O)C[NH+]2C[C@H](C)N(CC#N)[C@@H](C)C2)c1 ZINC000602853889 568001908 /nfs/dbraw/zinc/00/19/08/568001908.db2.gz MOYFUOUTIYWMIY-HRCADAONSA-N 1 0 351.878 2.306 20 30 FEEDRO C=CCc1ccc(OC[C@H](O)C[NH+]2C[C@H](C)N(CC#N)[C@@H](C)C2)c(OC)c1 ZINC000602857618 568002754 /nfs/dbraw/zinc/00/27/54/568002754.db2.gz UJEKOEDNZPUTHO-JENIJYKNSA-N 1 0 373.497 2.082 20 30 FEEDRO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CC[C@H](c2ccc3cccnc3n2)C1 ZINC000602890253 568007159 /nfs/dbraw/zinc/00/71/59/568007159.db2.gz ZJZRIWXAJDCRPC-WBVHZDCISA-N 1 0 351.454 2.427 20 30 FEEDRO COc1cc(C[NH2+][C@H]2CCc3ccc(C#N)cc32)ccc1OCC(N)=O ZINC000568334123 568026010 /nfs/dbraw/zinc/02/60/10/568026010.db2.gz POMARACQWCDCGM-KRWDZBQOSA-N 1 0 351.406 2.208 20 30 FEEDRO C[C@@H]1CN(C(=O)Nc2ccc(OCCC[NH+](C)C)cc2)C[C@@H](C)N1CC#N ZINC000602831871 568048048 /nfs/dbraw/zinc/04/80/48/568048048.db2.gz KMXYROPXKQKNMS-IAGOWNOFSA-N 1 0 373.501 2.467 20 30 FEEDRO C[N@H+](CCOCc1ccc(C#N)cc1)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000568557179 568051266 /nfs/dbraw/zinc/05/12/66/568051266.db2.gz DSYUAGCKMZXLEZ-HXUWFJFHSA-N 1 0 365.433 2.318 20 30 FEEDRO CC[NH2+]Cc1cn(CC(=O)Nc2ccccc2S[C@H](C)CC#N)nn1 ZINC000603217724 568076844 /nfs/dbraw/zinc/07/68/44/568076844.db2.gz YEMJTBYZMWJQOM-CYBMUJFWSA-N 1 0 358.471 2.421 20 30 FEEDRO CC[NH+]1CCC(N2CCCN(C(=O)Cc3c(F)cccc3C#N)CC2)CC1 ZINC000568747229 568176502 /nfs/dbraw/zinc/17/65/02/568176502.db2.gz HTVRCTGJTAZRQV-UHFFFAOYSA-N 1 0 372.488 2.258 20 30 FEEDRO C[C@]1(C[NH3+])CCN(C(=O)NC2CCC(Oc3ncccc3C#N)CC2)C1 ZINC000568966461 568258148 /nfs/dbraw/zinc/25/81/48/568258148.db2.gz RXKRHMPNDGQUMW-LADRWXRNSA-N 1 0 357.458 2.024 20 30 FEEDRO C[C@H]([NH2+][C@@H]1CCN(c2ccc(C#N)cc2)C1=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000736129967 598959057 /nfs/dbraw/zinc/95/90/57/598959057.db2.gz FWHMOHJRMHIREF-SCLBCKFNSA-N 1 0 373.420 2.194 20 30 FEEDRO C[C@@H]([NH2+]CCC(=O)Nc1sccc1C#N)c1ccc(-c2nn[nH]n2)cc1 ZINC000736137393 598559298 /nfs/dbraw/zinc/55/92/98/598559298.db2.gz XDUXCGOIUKRAQU-LLVKDONJSA-N 1 0 367.438 2.479 20 30 FEEDRO Cc1ccc(S(=O)(=O)NCC[NH2+][C@@H]2CCc3ccc(C#N)cc32)cc1 ZINC000558493959 674500048 /nfs/dbraw/zinc/50/00/48/674500048.db2.gz ODGRMSCWSYPKQU-LJQANCHMSA-N 1 0 355.463 2.422 20 30 FEEDRO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@H](CN(C)S(C)(=O)=O)C2)cc1 ZINC000809688702 674505236 /nfs/dbraw/zinc/50/52/36/674505236.db2.gz OBQFEYJNOJAHNU-DOTOQJQBSA-N 1 0 365.499 2.081 20 30 FEEDRO C[NH+](C)Cc1ccc(CNC(=O)C(=O)Nc2sccc2C#N)cc1F ZINC000559715878 674553403 /nfs/dbraw/zinc/55/34/03/674553403.db2.gz SMPWCAXXVIJCPN-UHFFFAOYSA-N 1 0 360.414 2.075 20 30 FEEDRO Cn1cc(C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)c(-c2ccc(C#N)cc2)n1 ZINC000826361980 609337909 /nfs/dbraw/zinc/33/79/09/609337909.db2.gz YJHDJXBDAPSPEI-UHFFFAOYSA-N 1 0 370.420 2.429 20 30 FEEDRO COc1ccc(Br)c(CN[NH+]=Cc2cnc(N(C)C)n2C)c1 ZINC000811648086 674618299 /nfs/dbraw/zinc/61/82/99/674618299.db2.gz DVESYJYQAWDCET-UHFFFAOYSA-N 1 0 366.263 2.381 20 30 FEEDRO C#C[C@@H](NC(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1)c1ccc(Cl)cc1 ZINC000811890651 674636120 /nfs/dbraw/zinc/63/61/20/674636120.db2.gz XFJFLBXKHGAHOJ-CRAIPNDOSA-N 1 0 362.905 2.197 20 30 FEEDRO N#Cc1cc(Br)cnc1N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000563422447 674885456 /nfs/dbraw/zinc/88/54/56/674885456.db2.gz HBMZSIKCNAOUIL-HNNXBMFYSA-N 1 0 365.275 2.407 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)[C@H]1C[N@H+](CC(CC)CC)C[C@@H]1O ZINC001047557445 674960261 /nfs/dbraw/zinc/96/02/61/674960261.db2.gz WUKCJMBYZKGZJO-VJANTYMQSA-N 1 0 352.519 2.297 20 30 FEEDRO C[C@@H](C(=O)N1CCN([C@H](C#N)c2cccc(Cl)c2)CC1)[NH+]1CC(C)C1 ZINC000564351626 674999585 /nfs/dbraw/zinc/99/95/85/674999585.db2.gz PWVNOPKVKBNDLI-MAUKXSAKSA-N 1 0 360.889 2.389 20 30 FEEDRO CC1=C[C@@H](C)C[N@H+](CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)C1 ZINC000569181737 670521476 /nfs/dbraw/zinc/52/14/76/670521476.db2.gz WOTZSAQJKMCJFI-WBVHZDCISA-N 1 0 358.511 2.355 20 30 FEEDRO Cc1ccc(Cl)cc1N1CC[C@@H](C[NH2+]C[C@@H](O)CN(C)CCC#N)C1 ZINC000565475832 675124896 /nfs/dbraw/zinc/12/48/96/675124896.db2.gz GGUWYIZGRUCOLY-FUHWJXTLSA-N 1 0 364.921 2.271 20 30 FEEDRO C[NH+]=C(NCc1cc(F)cc(Br)c1)N[C@H]1CCN(C2CC2)C1 ZINC000083125407 670655835 /nfs/dbraw/zinc/65/58/35/670655835.db2.gz WQBUFHUGXYBRQW-AWEZNQCLSA-N 1 0 369.282 2.490 20 30 FEEDRO N#CC1CCC(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000565594398 675135032 /nfs/dbraw/zinc/13/50/32/675135032.db2.gz OAVBGCDJZDAHND-UHFFFAOYSA-N 1 0 351.428 2.288 20 30 FEEDRO CCc1cccc(NC(=[NH2+])NCCNS(=O)(=O)c2ccc(C)cc2)c1 ZINC000104161432 670790256 /nfs/dbraw/zinc/79/02/56/670790256.db2.gz YUXXSSRLPCQZLB-UHFFFAOYSA-N 1 0 360.483 2.263 20 30 FEEDRO CC(C)(C)c1cc(C#N)c(NC(=O)C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)s1 ZINC000571297660 670851714 /nfs/dbraw/zinc/85/17/14/670851714.db2.gz ISFBATACHRPZHU-UHTWSYAYSA-N 1 0 360.483 2.051 20 30 FEEDRO O=C(NCC[NH2+]Cc1ccc(Br)cc1)C1N=CC=CC1=O ZINC000113361164 670883896 /nfs/dbraw/zinc/88/38/96/670883896.db2.gz GICKFHJWQVLMKK-PFONDFGASA-N 1 0 350.216 2.065 20 30 FEEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 ZINC000573528616 671133551 /nfs/dbraw/zinc/13/35/51/671133551.db2.gz DEJIWLMTXPVVDH-RCBQFDQVSA-N 1 0 364.877 2.075 20 30 FEEDRO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCCO[C@@H](CF)C1)CCC2 ZINC000573781182 671163743 /nfs/dbraw/zinc/16/37/43/671163743.db2.gz JLPCWFLRZGORDJ-LBPRGKRZSA-N 1 0 351.447 2.497 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)S(=O)(=O)CCC(C)(C)C#N ZINC000574003484 671191249 /nfs/dbraw/zinc/19/12/49/671191249.db2.gz ZEIYFPDFXXJVFR-UHFFFAOYSA-N 1 0 362.499 2.192 20 30 FEEDRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CSc2cccc(F)c2C#N)C1 ZINC000574412493 671237581 /nfs/dbraw/zinc/23/75/81/671237581.db2.gz BGSMYTBHTIWMJP-CQSZACIVSA-N 1 0 365.474 2.262 20 30 FEEDRO Cc1ncc(S(=O)(=O)N2C[C@@H](C)NCc3ccc(F)cc32)cc1C#N ZINC000575936428 671332333 /nfs/dbraw/zinc/33/23/33/671332333.db2.gz UKPXMGGJEDMPCT-LLVKDONJSA-N 1 0 360.414 2.088 20 30 FEEDRO C[C@@H]([NH3+])[C@@H]1CCCN(S(=O)(=O)c2ccc(C#N)c(Br)c2)C1 ZINC000566216089 675194762 /nfs/dbraw/zinc/19/47/62/675194762.db2.gz LOKCLCUKQKYPAN-ZYHUDNBSSA-N 1 0 372.288 2.069 20 30 FEEDRO N#Cc1c(NC(=O)CC[N@@H+](CC(N)=O)C2CCCC2)sc2c1CCC2 ZINC000609144051 675911811 /nfs/dbraw/zinc/91/18/11/675911811.db2.gz IWODRCAAQWOFOI-UHFFFAOYSA-N 1 0 360.483 2.167 20 30 FEEDRO CO[C@@H]1COC[C@@H]1[NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000578162380 671645544 /nfs/dbraw/zinc/64/55/44/671645544.db2.gz WHKRRQZXLPEXRC-LSDHHAIUSA-N 1 0 363.483 2.221 20 30 FEEDRO C[C@@H](CNC(=O)COc1ccc(C#N)c(Br)c1)[NH+]1CCCC1 ZINC000579078248 671710547 /nfs/dbraw/zinc/71/05/47/671710547.db2.gz QSLWVXVRIUZSIR-LBPRGKRZSA-N 1 0 366.259 2.300 20 30 FEEDRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)Nc1cc(C#N)ccc1Cl ZINC000580725923 671827488 /nfs/dbraw/zinc/82/74/88/671827488.db2.gz GRBBSMMXQJHTSH-CYBMUJFWSA-N 1 0 362.861 2.387 20 30 FEEDRO C[C@@H]([NH2+]C[C@@H](O)CN(C)CCC#N)c1nc2ccccc2n1C(F)F ZINC000581006789 671854879 /nfs/dbraw/zinc/85/48/79/671854879.db2.gz QFFJZRHEJXIESQ-CHWSQXEVSA-N 1 0 351.401 2.288 20 30 FEEDRO N#CCC[C@@H](C#N)C[NH2+]C1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000581095814 671863106 /nfs/dbraw/zinc/86/31/06/671863106.db2.gz DJUUKLAVYYUPOY-KRWDZBQOSA-N 1 0 360.483 2.014 20 30 FEEDRO CC(C)c1noc(CCC[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)n1 ZINC000581186258 671871402 /nfs/dbraw/zinc/87/14/02/671871402.db2.gz OAGLOPURVROLQS-UHFFFAOYSA-N 1 0 362.455 2.061 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)cc1C(F)(F)F ZINC000581666869 671923348 /nfs/dbraw/zinc/92/33/48/671923348.db2.gz DSEACNDDMOCOFH-HNNXBMFYSA-N 1 0 373.400 2.341 20 30 FEEDRO CC[NH+](CC)C[C@H]1CCCC[C@@H]1NS(=O)(=O)c1cncc(C#N)c1 ZINC000582031442 671960444 /nfs/dbraw/zinc/96/04/44/671960444.db2.gz JMHZEFQYRWXOTJ-WBVHZDCISA-N 1 0 350.488 2.132 20 30 FEEDRO N#Cc1cc(S(=O)(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)ccc1C(F)(F)F ZINC000582486863 672006477 /nfs/dbraw/zinc/00/64/77/672006477.db2.gz GBAKGYOSDPVTFJ-HNNXBMFYSA-N 1 0 373.400 2.341 20 30 FEEDRO CCOC(=O)N1CCC(NC(=[NH2+])NCCOc2ccccc2Cl)CC1 ZINC000130790778 672079705 /nfs/dbraw/zinc/07/97/05/672079705.db2.gz UWPWCCQSYUHLHN-UHFFFAOYSA-N 1 0 368.865 2.244 20 30 FEEDRO N#CCc1ccc(CS(=O)(=O)N(CC[NH3+])CCc2ccccc2)cc1 ZINC000583693494 672118290 /nfs/dbraw/zinc/11/82/90/672118290.db2.gz TYYWRFCNPKCVHE-UHFFFAOYSA-N 1 0 357.479 2.086 20 30 FEEDRO CC[NH+](CC)CC#C[C@H](C)OC(=O)c1ccc(F)c(NS(C)(=O)=O)c1 ZINC000134027513 672118660 /nfs/dbraw/zinc/11/86/60/672118660.db2.gz PBHIYRYWLHYMGH-ZDUSSCGKSA-N 1 0 370.446 2.088 20 30 FEEDRO CN([C@@H]1CCC[NH2+]CC1)S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000583764247 672124256 /nfs/dbraw/zinc/12/42/56/672124256.db2.gz CELRKRXGIGEZDU-CYBMUJFWSA-N 1 0 372.288 2.083 20 30 FEEDRO CC[NH+](CC)CC#C[C@H](C)OC(=O)c1cccc(S(=O)(=O)CC)c1 ZINC000136383091 672138845 /nfs/dbraw/zinc/13/88/45/672138845.db2.gz FTZVBGXXQWMJNJ-HNNXBMFYSA-N 1 0 351.468 2.371 20 30 FEEDRO C[NH+]=C(NCc1nccs1)N1CCC(OC[C@H]2CCCCO2)CC1 ZINC000156163035 672242928 /nfs/dbraw/zinc/24/29/28/672242928.db2.gz JVCYRRLHLWOWEP-OAHLLOKOSA-N 1 0 352.504 2.269 20 30 FEEDRO C#CCOc1ccccc1C[NH2+]CCN(C)S(=O)(=O)c1cccs1 ZINC000158339305 672268710 /nfs/dbraw/zinc/26/87/10/672268710.db2.gz JETSFPVUBFUIHW-UHFFFAOYSA-N 1 0 364.492 2.170 20 30 FEEDRO C[NH+]=C(NCCc1cn2c(n1)CCCC2)N(C)Cc1cc(Cl)cn1C ZINC000158783622 672272897 /nfs/dbraw/zinc/27/28/97/672272897.db2.gz WBGYDSDNWPQDGX-UHFFFAOYSA-N 1 0 362.909 2.461 20 30 FEEDRO C[C@@H]([NH2+]CC1CCN(S(=O)(=O)C(F)F)CC1)c1ccc(C#N)cc1 ZINC000174087853 672357655 /nfs/dbraw/zinc/35/76/55/672357655.db2.gz PVJYNBVECXIAQU-GFCCVEGCSA-N 1 0 357.426 2.473 20 30 FEEDRO CC(C)(CCC#N)C[NH2+]CC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000174383030 672360517 /nfs/dbraw/zinc/36/05/17/672360517.db2.gz FFKLUJVKPUOYQB-UHFFFAOYSA-N 1 0 355.426 2.468 20 30 FEEDRO C[NH+]=C(NCc1cc(F)ccc1Br)N1CCO[C@@H](COC)C1 ZINC000179270163 672400616 /nfs/dbraw/zinc/40/06/16/672400616.db2.gz KOZYDLQDDLAGHB-CYBMUJFWSA-N 1 0 374.254 2.011 20 30 FEEDRO C[C@H]([NH2+]CC(=O)Nc1sccc1C#N)c1ccc(-n2cncn2)cc1 ZINC000181528064 672427759 /nfs/dbraw/zinc/42/77/59/672427759.db2.gz OBMRPYAXCHPTPV-LBPRGKRZSA-N 1 0 352.423 2.490 20 30 FEEDRO CN(CCC#N)C[C@@H](O)C[NH2+][C@H]1CCOc2ccc(Br)cc21 ZINC000591240863 672660833 /nfs/dbraw/zinc/66/08/33/672660833.db2.gz SDAJWHJMZZDDOW-ZFWWWQNUSA-N 1 0 368.275 2.069 20 30 FEEDRO N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)N[C@@H]2CCC[NH2+]CC2)n1 ZINC000591297684 672667203 /nfs/dbraw/zinc/66/72/03/672667203.db2.gz GPEVLOUCBGNWKZ-CQSZACIVSA-N 1 0 358.833 2.661 20 30 FEEDRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1c1c(C#N)cnc2c(Cl)cccc21 ZINC000591984337 672729086 /nfs/dbraw/zinc/72/90/86/672729086.db2.gz DZPMMHRSALQEIO-LBPRGKRZSA-N 1 0 357.845 2.316 20 30 FEEDRO C=C[C@](C)(CCOC)C(=O)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000682157862 672738452 /nfs/dbraw/zinc/73/84/52/672738452.db2.gz SNLIXNZMGFLJJE-CMKODMSKSA-N 1 0 351.535 2.232 20 30 FEEDRO N#Cc1cnn2cc(C[NH2+]C[C@]3(O)CCC[C@H](C(F)(F)F)C3)cnc12 ZINC000592509543 672809268 /nfs/dbraw/zinc/80/92/68/672809268.db2.gz YMLNVNDRWSWHMK-ZFWWWQNUSA-N 1 0 353.348 2.174 20 30 FEEDRO C=CCN1C(=S)N=NC1c1sc(NC(=O)C(C)(C)C[NH3+])nc1C ZINC000237581259 672810573 /nfs/dbraw/zinc/81/05/73/672810573.db2.gz ZMOLUOVSZQWGDB-UHFFFAOYSA-N 1 0 352.489 2.108 20 30 FEEDRO C[N@@H+]1CCN(CC(=O)Nc2sccc2C#N)[C@@H](Cc2ccccc2)C1 ZINC000593088873 672874313 /nfs/dbraw/zinc/87/43/13/672874313.db2.gz MQMXTJCDZQFPGE-KRWDZBQOSA-N 1 0 354.479 2.417 20 30 FEEDRO O=C(NCC[NH2+]Cc1cc(Br)cs1)C1N=CC=CC1=O ZINC000255068533 672883631 /nfs/dbraw/zinc/88/36/31/672883631.db2.gz JOMNCCZUAFWZHM-OUKQBFOZSA-N 1 0 356.245 2.127 20 30 FEEDRO C[NH+]=C(NC[C@H](C)N1CCc2sccc2C1)N(C)C[C@H]1CCOC1 ZINC000261623318 672900196 /nfs/dbraw/zinc/90/01/96/672900196.db2.gz IGMPPYXJGBAQOE-LSDHHAIUSA-N 1 0 350.532 2.038 20 30 FEEDRO C[NH+]=C(NC[C@](C)(O)c1cccs1)N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000261745940 672902676 /nfs/dbraw/zinc/90/26/76/672902676.db2.gz MWHWBSACQSPEJU-ZDRJDWQYSA-N 1 0 363.527 2.468 20 30 FEEDRO C[NH+]=C(NCC(=O)Nc1cccnc1)N1CCSC2(CCCCC2)C1 ZINC000261855165 672904420 /nfs/dbraw/zinc/90/44/20/672904420.db2.gz YNZGXBBKGYQISR-UHFFFAOYSA-N 1 0 361.515 2.347 20 30 FEEDRO C[NH+]=C(NCCc1c(C)nn(C)c1C)N(C)Cc1cc(Cl)cn1C ZINC000261942023 672905664 /nfs/dbraw/zinc/90/56/64/672905664.db2.gz DRMODYBIHVHLAP-UHFFFAOYSA-N 1 0 350.898 2.279 20 30 FEEDRO C[NH+]=C(NCc1csc2ccccc12)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261963779 672906331 /nfs/dbraw/zinc/90/63/31/672906331.db2.gz KYABBPLEGZQDIV-UHFFFAOYSA-N 1 0 365.524 2.486 20 30 FEEDRO CCC1(CC)CCN(C(NC[C@@]2(N3CCOCC3)CCSC2)=[NH+]C)C1 ZINC000261963964 672906513 /nfs/dbraw/zinc/90/65/13/672906513.db2.gz LBEOOEIYCPQVOX-IBGZPJMESA-N 1 0 368.591 2.282 20 30 FEEDRO CC[NH+]=C(NC[C@H](C)c1ccc(F)cc1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000262027138 672908502 /nfs/dbraw/zinc/90/85/02/672908502.db2.gz ZZLUJJOFBBESEG-AWEZNQCLSA-N 1 0 369.506 2.404 20 30 FEEDRO [NH2+]=C(NC[C@H]1CCCCS1(=O)=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000262162435 672909642 /nfs/dbraw/zinc/90/96/42/672909642.db2.gz BEJIVZXKKRFTOQ-GFCCVEGCSA-N 1 0 365.377 2.279 20 30 FEEDRO C[NH+]=C(NCc1cn2cc(Cl)ccc2n1)NC[C@@H](O)c1ccc(C)o1 ZINC000262319735 672913020 /nfs/dbraw/zinc/91/30/20/672913020.db2.gz CKORLHLGWCSQDK-CQSZACIVSA-N 1 0 361.833 2.288 20 30 FEEDRO CC[C@H](C)[NH+]=C(NCC(=O)N(C)C)N[C@H]1CCOC2(CCCCC2)C1 ZINC000262319560 672913154 /nfs/dbraw/zinc/91/31/54/672913154.db2.gz RPDLMZBZEIJXLO-HOTGVXAUSA-N 1 0 352.523 2.290 20 30 FEEDRO CC(C)C1CCC(NC(NC[C@H]2CCS(=O)(=O)C2)=[NH+]C2CC2)CC1 ZINC000262340965 672913442 /nfs/dbraw/zinc/91/34/42/672913442.db2.gz CQERLWXHNIYELW-QQFBHYJXSA-N 1 0 355.548 2.334 20 30 FEEDRO CCO[C@@H]1C[C@H](NC(NC[C@]2(O)CCSC2)=[NH+]C)C12CCCCC2 ZINC000262336905 672913447 /nfs/dbraw/zinc/91/34/47/672913447.db2.gz BZPVNEMZFIAWCL-ZMSDIMECSA-N 1 0 355.548 2.147 20 30 FEEDRO CC[NH+]=C(NCC1(SC)CCOCC1)N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000262377366 672914352 /nfs/dbraw/zinc/91/43/52/672914352.db2.gz JTMKFDUIIJIYJM-RRFJBIMHSA-N 1 0 355.548 2.267 20 30 FEEDRO CC[NH+]=C(N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)N(C)CC(=O)NC(C)(C)C ZINC000262468955 672916382 /nfs/dbraw/zinc/91/63/82/672916382.db2.gz YSLTXAIGBLPPQB-IMJJTQAJSA-N 1 0 352.523 2.002 20 30 FEEDRO C[C@@H]1CN(C(=[NH2+])N[C@@H]2C[C@H]2c2ccc(Br)c(F)c2)CCO1 ZINC000262457744 672916570 /nfs/dbraw/zinc/91/65/70/672916570.db2.gz LNSQFEFHMMCUKF-OLUVUFQESA-N 1 0 356.239 2.480 20 30 FEEDRO C[C@H](CNC(=[NH2+])N1CCO[C@@H](C)C1)Oc1ccccc1Br ZINC000262502753 672917118 /nfs/dbraw/zinc/91/71/18/672917118.db2.gz YYPSVIOVZDFXJG-NEPJUHHUSA-N 1 0 356.264 2.252 20 30 FEEDRO CC(C)CCC[C@H](C)NC(=[NH2+])NCCNS(=O)(=O)c1ccccc1 ZINC000303770631 673017515 /nfs/dbraw/zinc/01/75/15/673017515.db2.gz BZQMAPZBQWBCST-HNNXBMFYSA-N 1 0 354.520 2.084 20 30 FEEDRO [NH2+]=C(NCC1(O)CCCCC1)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000303887085 673018412 /nfs/dbraw/zinc/01/84/12/673018412.db2.gz ODRWQPLXODDRFH-UHFFFAOYSA-N 1 0 350.894 2.472 20 30 FEEDRO CCCCNC(=[NH2+])NCCCNC(=O)c1ccc(Br)cc1 ZINC000303988027 673019846 /nfs/dbraw/zinc/01/98/46/673019846.db2.gz WCAPVTBYJUKRJY-UHFFFAOYSA-N 1 0 355.280 2.273 20 30 FEEDRO COC[C@@H](C)NC(=[NH2+])NC[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000304759951 673020550 /nfs/dbraw/zinc/02/05/50/673020550.db2.gz RSNYNLHKEAWBHL-UKRRQHHQSA-N 1 0 350.463 2.192 20 30 FEEDRO CCOc1ccc(OCC)c(NC(=[NH2+])NCCCNC(=O)C(C)C)c1 ZINC000305325746 673021175 /nfs/dbraw/zinc/02/11/75/673021175.db2.gz XVIUATJWRWPIQK-UHFFFAOYSA-N 1 0 350.463 2.373 20 30 FEEDRO [NH2+]=C(NCCNC(=O)c1ccc(Br)cc1)N1CCCCCC1 ZINC000305039733 673021192 /nfs/dbraw/zinc/02/11/92/673021192.db2.gz CIZYDZCOYBGSCE-UHFFFAOYSA-N 1 0 367.291 2.370 20 30 FEEDRO COCCNC(=[NH2+])NCCCOc1ncc(C(F)(F)F)cc1Cl ZINC000305434479 673021920 /nfs/dbraw/zinc/02/19/20/673021920.db2.gz HEPCNFHZROYOGF-UHFFFAOYSA-N 1 0 354.760 2.073 20 30 FEEDRO COC[C@@H](C)NC(=[NH2+])NCCCOc1ncc(C(F)(F)F)cc1Cl ZINC000305437822 673021997 /nfs/dbraw/zinc/02/19/97/673021997.db2.gz JTDSNDQXWCLPQZ-SECBINFHSA-N 1 0 368.787 2.462 20 30 FEEDRO Cc1csc(NC(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)c1C#N ZINC000594105563 673031894 /nfs/dbraw/zinc/03/18/94/673031894.db2.gz MQRHKDGYRQKGJH-CJNGLKHVSA-N 1 0 361.515 2.418 20 30 FEEDRO N#Cc1ccc(Cl)c(NC(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC000594325722 673058639 /nfs/dbraw/zinc/05/86/39/673058639.db2.gz ITEHOFJXXVESPS-GOEBONIOSA-N 1 0 360.845 2.283 20 30 FEEDRO C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)[C@@H]([NH3+])CCCCC#N ZINC000594430329 673070704 /nfs/dbraw/zinc/07/07/04/673070704.db2.gz ZOFWARFODLAOPU-BBRMVZONSA-N 1 0 351.472 2.021 20 30 FEEDRO CC(C)(C)N1C[C@H](C(=O)NCC2([NH+]3CCCC3)CCOCC2)CC1=O ZINC000329111872 673072566 /nfs/dbraw/zinc/07/25/66/673072566.db2.gz RAVANMGVFZVMTA-OAHLLOKOSA-N 1 0 351.491 2.235 20 30 FEEDRO Cc1ccc(CNC(=O)[C@@H]([NH3+])CCCCC#N)c(-n2cc(Cl)cn2)n1 ZINC000594445312 673072927 /nfs/dbraw/zinc/07/29/27/673072927.db2.gz JHTWZSXBCYNNCN-HNNXBMFYSA-N 1 0 360.849 2.257 20 30 FEEDRO CC(C)C[C@@H](NC(=O)[C@@H]([NH3+])CCCCC#N)C(=O)Nc1nccs1 ZINC000594447161 673073403 /nfs/dbraw/zinc/07/34/03/673073403.db2.gz UKSPXSDZZHEAIT-QWHCGFSZSA-N 1 0 351.476 2.024 20 30 FEEDRO C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@@H]2CCOC3(CCCCC3)C2)[C@H](C)C1 ZINC000329301106 673074769 /nfs/dbraw/zinc/07/47/69/673074769.db2.gz VZYWNBADIWNRSM-IXDOHACOSA-N 1 0 353.507 2.169 20 30 FEEDRO N#Cc1ccc(F)c(CS(=O)(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC000594483471 673086927 /nfs/dbraw/zinc/08/69/27/673086927.db2.gz LJOUMGSRPPIIRK-DLBZAZTESA-N 1 0 351.447 2.134 20 30 FEEDRO C[C@@H](NC(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C)c1cncc(F)c1 ZINC000330231919 673087534 /nfs/dbraw/zinc/08/75/34/673087534.db2.gz RGCNGEKFMXYRQQ-ZIAGYGMSSA-N 1 0 350.438 2.381 20 30 FEEDRO CC(C)(C#N)c1ccc(C[NH2+][C@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)cc1 ZINC000594500112 673094014 /nfs/dbraw/zinc/09/40/14/673094014.db2.gz KZKWRDNZVLHURW-PKOBYXMFSA-N 1 0 362.495 2.314 20 30 FEEDRO COc1cc(C#N)ccc1S(=O)(=O)N1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000595118797 673196851 /nfs/dbraw/zinc/19/68/51/673196851.db2.gz VTOYDWBIZHGYIO-UKRRQHHQSA-N 1 0 351.472 2.095 20 30 FEEDRO CC(C)[C@H]([NH3+])CCNC(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000595274270 673215854 /nfs/dbraw/zinc/21/58/54/673215854.db2.gz UJJXJHHABCTRKP-MRXNPFEDSA-N 1 0 363.893 2.417 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@H+](CC3CC3)C2)c(F)c1 ZINC000595409186 673245394 /nfs/dbraw/zinc/24/53/94/673245394.db2.gz AYWNQDQIGALLTN-HNNXBMFYSA-N 1 0 351.447 2.098 20 30 FEEDRO C[C@H](CN1CC[NH+](C)CC1)NC(=S)Nc1ccc(C#N)c(Cl)c1 ZINC000730157524 673264473 /nfs/dbraw/zinc/26/44/73/673264473.db2.gz UIPDOIBYWJFGDA-GFCCVEGCSA-N 1 0 351.907 2.134 20 30 FEEDRO CC(C)([NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)c1cccc(C#N)c1 ZINC000595631991 673276239 /nfs/dbraw/zinc/27/62/39/673276239.db2.gz ASRBCBHXIKFAFC-UHFFFAOYSA-N 1 0 354.435 2.124 20 30 FEEDRO C=CCCSCCNC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000595725751 673285925 /nfs/dbraw/zinc/28/59/25/673285925.db2.gz NSNHPGNBCQIHSW-SJORKVTESA-N 1 0 355.548 2.363 20 30 FEEDRO N#C[C@@H](c1cccc(Cl)c1)N1CCN(CC[N@@H+]2CCCOCC2)CC1 ZINC000463211478 673300780 /nfs/dbraw/zinc/30/07/80/673300780.db2.gz FSNLYZMETXUYHP-IBGZPJMESA-N 1 0 362.905 2.245 20 30 FEEDRO N#Cc1ccc(CN2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c(OC(F)F)c1 ZINC000595865160 673331647 /nfs/dbraw/zinc/33/16/47/673331647.db2.gz FWKOQFCXNKMGKW-MRXNPFEDSA-N 1 0 351.397 2.191 20 30 FEEDRO Cc1cc(C=NNC(=S)NCCC[NH+](C)C)c(C)n1-c1nccs1 ZINC000731928667 673348297 /nfs/dbraw/zinc/34/82/97/673348297.db2.gz NFAGZCPYJXVQSF-UHFFFAOYSA-N 1 0 364.544 2.300 20 30 FEEDRO CN(c1ccc(OCC[NH+](C)C)cc1)S(=O)(=O)c1ccccc1C#N ZINC000732223678 673359383 /nfs/dbraw/zinc/35/93/83/673359383.db2.gz WPFGXMNRXUARCM-UHFFFAOYSA-N 1 0 359.451 2.324 20 30 FEEDRO N#Cc1cnnc(NCCC[NH+]2CCN(c3cccc(Cl)c3)CC2)c1 ZINC000596123843 673361347 /nfs/dbraw/zinc/36/13/47/673361347.db2.gz QYZWYDBLOWUOFK-UHFFFAOYSA-N 1 0 356.861 2.626 20 30 FEEDRO CC(C)C[NH2+]C1(CO)CCN(c2ncc(Br)cc2C#N)CC1 ZINC000596254995 673372090 /nfs/dbraw/zinc/37/20/90/673372090.db2.gz VBKFEWJXKWXOHR-UHFFFAOYSA-N 1 0 367.291 2.293 20 30 FEEDRO CN(C)CC[NH+]1CCC(CNC(=O)c2ccccc2SCC#N)CC1 ZINC000733976004 673447481 /nfs/dbraw/zinc/44/74/81/673447481.db2.gz DJFGTBOZVKWCSR-UHFFFAOYSA-N 1 0 360.527 2.306 20 30 FEEDRO C[NH+]1CCC(C#N)(NC(=O)c2ccnc(SCC(F)(F)F)c2)CC1 ZINC000539006105 673469964 /nfs/dbraw/zinc/46/99/64/673469964.db2.gz XOOIWEYPDKFQGE-UHFFFAOYSA-N 1 0 358.389 2.454 20 30 FEEDRO Cc1c2cc(C#N)ccc2sc1C(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000597627427 673494182 /nfs/dbraw/zinc/49/41/82/673494182.db2.gz ZRILGERXGLRTRG-OAHLLOKOSA-N 1 0 354.479 2.201 20 30 FEEDRO C[C@H](CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)[NH+]1CCCCC1 ZINC000543248603 673635818 /nfs/dbraw/zinc/63/58/18/673635818.db2.gz HWABKNSVKUHOFX-CYBMUJFWSA-N 1 0 366.443 2.009 20 30 FEEDRO C[NH+](C)CCOc1cc(CNC(=O)c2ccc(Cl)c(C#N)c2)ccn1 ZINC000543452133 673648378 /nfs/dbraw/zinc/64/83/78/673648378.db2.gz YLJFWLCYJYVAKS-UHFFFAOYSA-N 1 0 358.829 2.477 20 30 FEEDRO N#CC1(C[C@H](O)C[N@@H+]2CCC[C@H](OCC(F)(F)F)C2)CCOCC1 ZINC000599297622 673655430 /nfs/dbraw/zinc/65/54/30/673655430.db2.gz NYZQYEJGNVZIBY-KBPBESRZSA-N 1 0 350.381 2.101 20 30 FEEDRO C[C@H]([NH2+]C[C@@H](O)COc1ccccc1C#N)c1ccc([S@](C)=O)cc1 ZINC000599353151 673662776 /nfs/dbraw/zinc/66/27/76/673662776.db2.gz GAAHKBFLNJRJOQ-AXUAAXHCSA-N 1 0 358.463 2.386 20 30 FEEDRO N#CC1(C[C@H](O)C[N@@H+]2CCCC[C@@H]2[C@H]2CCCC[C@H]2O)CCOCC1 ZINC000599392950 673668729 /nfs/dbraw/zinc/66/87/29/673668729.db2.gz CGMLUQWZGJAONH-WJFTUGDTSA-N 1 0 350.503 2.463 20 30 FEEDRO CC(C)[C@H](C#N)N1CC[NH+](C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000741785901 673697682 /nfs/dbraw/zinc/69/76/82/673697682.db2.gz TUEBHBGJQQJGOD-IRXDYDNUSA-N 1 0 350.507 2.409 20 30 FEEDRO C=CCNC(=O)NC(=O)C[NH2+][C@H](CN(C)C)c1ccc(Cl)c(Cl)c1 ZINC000599628957 673699437 /nfs/dbraw/zinc/69/94/37/673699437.db2.gz VZLOGFCZCYEVSR-CQSZACIVSA-N 1 0 373.284 2.198 20 30 FEEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000599894958 673726867 /nfs/dbraw/zinc/72/68/67/673726867.db2.gz AJRXKOGNAWSGGQ-HZSPNIEDSA-N 1 0 360.483 2.134 20 30 FEEDRO CC[C@@H](CO)[NH+]1CCN(C(=S)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000743018247 673745464 /nfs/dbraw/zinc/74/54/64/673745464.db2.gz MAGBGKSCARTQJP-AWEZNQCLSA-N 1 0 352.891 2.297 20 30 FEEDRO N#CC1(CS(=O)(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CCCC1 ZINC000545365300 673763266 /nfs/dbraw/zinc/76/32/66/673763266.db2.gz RXNCNVWQNVMLLO-RDJZCZTQSA-N 1 0 351.516 2.349 20 30 FEEDRO N#CC1(C[C@@H](O)C[NH2+]C[C@H](O)COc2cccc(Cl)c2Cl)CC1 ZINC000600740737 673795826 /nfs/dbraw/zinc/79/58/26/673795826.db2.gz ALPKKKHWGXISQB-NEPJUHHUSA-N 1 0 359.253 2.377 20 30 FEEDRO Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CCCC12CC[NH+](C)CC2 ZINC000601383804 673852853 /nfs/dbraw/zinc/85/28/53/673852853.db2.gz QBUPNBGOCSMKDY-UHFFFAOYSA-N 1 0 351.447 2.255 20 30 FEEDRO COc1cc(C#N)ccc1S(=O)(=O)N1CCC(C)([NH+]2CCCC2)CC1 ZINC000601497487 673871025 /nfs/dbraw/zinc/87/10/25/673871025.db2.gz YMFIYZKUGCTDPR-UHFFFAOYSA-N 1 0 363.483 2.206 20 30 FEEDRO N#Cc1ccc(Cl)cc1NC(=O)Cn1cc(C[NH2+]C2CCCC2)nn1 ZINC000603159853 673918235 /nfs/dbraw/zinc/91/82/35/673918235.db2.gz AANHRNXARQOFKT-UHFFFAOYSA-N 1 0 358.833 2.474 20 30 FEEDRO Cc1sc(NC(=O)Cn2cc(C[C@H]3CCC[NH2+]C3)nn2)c(C#N)c1C ZINC000603168697 673918474 /nfs/dbraw/zinc/91/84/74/673918474.db2.gz BWYGTKWGOROUQH-CYBMUJFWSA-N 1 0 358.471 2.009 20 30 FEEDRO N#Cc1cc(N2CC[NH+](CC3CCOCC3)CC2)ncc1Br ZINC000603290505 673922656 /nfs/dbraw/zinc/92/26/56/673922656.db2.gz ASOVYUPTYJZTLE-UHFFFAOYSA-N 1 0 365.275 2.264 20 30 FEEDRO COCC(C)(C)[NH+]1CCN(c2cc(C#N)c(Br)cn2)CC1 ZINC000603398383 673929469 /nfs/dbraw/zinc/92/94/69/673929469.db2.gz UJOQJHHULXZLNW-UHFFFAOYSA-N 1 0 353.264 2.263 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)c1cc([N+](=O)[O-])cc(Br)c1C ZINC000818603036 675227893 /nfs/dbraw/zinc/22/78/93/675227893.db2.gz LYGROWNRLNKBLO-UHFFFAOYSA-N 1 0 368.231 2.351 20 30 FEEDRO CC[S@](=O)[C@H]1CCC[C@@H]([NH2+]CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000566791634 675243138 /nfs/dbraw/zinc/24/31/38/675243138.db2.gz CRRRDKGEAVIKHP-SYJLOODJSA-N 1 0 368.524 2.001 20 30 FEEDRO CC(C)[NH+]1CCN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)CC1 ZINC000819081709 675259130 /nfs/dbraw/zinc/25/91/30/675259130.db2.gz NSABRUCSJBRYGB-HNNXBMFYSA-N 1 0 352.479 2.126 20 30 FEEDRO C[C@H](CNC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)[NH+]1CCCC1 ZINC000819245473 675274030 /nfs/dbraw/zinc/27/40/30/675274030.db2.gz WTOXJNDSBUQKJS-CABCVRRESA-N 1 0 352.479 2.174 20 30 FEEDRO C[C@]1(CC[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)CC1(Cl)Cl ZINC000819348496 675283815 /nfs/dbraw/zinc/28/38/15/675283815.db2.gz GVHDFQCMPXEXGU-ZDUSSCGKSA-N 1 0 362.282 2.291 20 30 FEEDRO CC[N@@H+]1CCN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)C[C@@H]1C ZINC000819429623 675289885 /nfs/dbraw/zinc/28/98/85/675289885.db2.gz XGLWBVKOESOBSQ-GJZGRUSLSA-N 1 0 352.479 2.126 20 30 FEEDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C ZINC000819575546 675302126 /nfs/dbraw/zinc/30/21/26/675302126.db2.gz GAVCXLFHTPBKEF-CABCVRRESA-N 1 0 352.479 2.126 20 30 FEEDRO C=CC1(CC(=O)N2CC[N@@H+](C)C[C@@H]2CC)CN(C(=O)OC(C)(C)C)C1 ZINC000820728892 675382494 /nfs/dbraw/zinc/38/24/94/675382494.db2.gz PRPCAYKKSWSOIU-HNNXBMFYSA-N 1 0 351.491 2.352 20 30 FEEDRO C#CCN(CC(=O)NC[C@H](C)[NH+]1CCC(C)CC1)C(=O)OC(C)(C)C ZINC000824243881 675591470 /nfs/dbraw/zinc/59/14/70/675591470.db2.gz BIBVBHPOKQEILQ-INIZCTEOSA-N 1 0 351.491 2.093 20 30 FEEDRO N#CC1(C(=O)NCC2CC[NH+](C3CCOCC3)CC2)CCSCC1 ZINC000824697356 675616729 /nfs/dbraw/zinc/61/67/29/675616729.db2.gz BDUWKGKGFZGITR-UHFFFAOYSA-N 1 0 351.516 2.031 20 30 FEEDRO CN(CCCC[NH+]1CCCCC1)c1ccc(C#N)cc1CS(N)(=O)=O ZINC000603422341 675799133 /nfs/dbraw/zinc/79/91/33/675799133.db2.gz GJZMLNUMCSTDSY-UHFFFAOYSA-N 1 0 364.515 2.049 20 30 FEEDRO C[NH+]1CCN(c2ccc(CNC(=O)C3(C#N)CCSCC3)cc2)CC1 ZINC000829296238 675874668 /nfs/dbraw/zinc/87/46/68/675874668.db2.gz GTMCBQQQQKKDSM-UHFFFAOYSA-N 1 0 358.511 2.092 20 30 FEEDRO C=CCSc1ccccc1NC(=O)Cn1cc(C[C@@H]2CC[NH2+]C2)nn1 ZINC000640859518 677190203 /nfs/dbraw/zinc/19/02/03/677190203.db2.gz DVUQJHPJVZLDGL-AWEZNQCLSA-N 1 0 357.483 2.347 20 30 FEEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SC[C@H]1CCN(C)C1=O ZINC000641433132 677205949 /nfs/dbraw/zinc/20/59/49/677205949.db2.gz KLGAEFWKXPTJEV-OAHLLOKOSA-N 1 0 363.531 2.063 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C[C@@H](C)n2cc(Br)cn2)CC1 ZINC000648773278 677320259 /nfs/dbraw/zinc/32/02/59/677320259.db2.gz ANCDQGRKAUQJQU-GFCCVEGCSA-N 1 0 355.280 2.363 20 30 FEEDRO C=CCC[C@@H](O)C[N@@H+](Cc1cc(C)c(C)c(S(N)(=O)=O)c1)C1CC1 ZINC000649745840 677336683 /nfs/dbraw/zinc/33/66/83/677336683.db2.gz AUTSCMNRCZCZOT-QGZVFWFLSA-N 1 0 352.500 2.242 20 30 FEEDRO C=CC[C@H]1CC[C@@H]([NH2+]Cc2ccc(S(=O)(=O)NCCOC)cc2)C1 ZINC000651690648 677444930 /nfs/dbraw/zinc/44/49/30/677444930.db2.gz OTWZRLDKCWHFPX-DOTOQJQBSA-N 1 0 352.500 2.446 20 30 FEEDRO C=CCCCS(=O)(=O)N1CCO[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]21 ZINC000651840927 677455795 /nfs/dbraw/zinc/45/57/95/677455795.db2.gz BEYKDVMIYWFHCP-MOPGFXCFSA-N 1 0 364.511 2.258 20 30 FEEDRO C=CCCO[C@@H](C)C(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(OC)c(F)c1 ZINC000659355794 678167682 /nfs/dbraw/zinc/16/76/82/678167682.db2.gz OSAPHHHPBDECTR-QRTARXTBSA-N 1 0 350.434 2.377 20 30 FEEDRO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2CC1 ZINC000839609067 680765892 /nfs/dbraw/zinc/76/58/92/680765892.db2.gz CDKOZGLQVGCWGV-OAGGEKHMSA-N 1 0 351.491 2.256 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)c2ccc(Br)s2)CC1 ZINC000839661638 680770020 /nfs/dbraw/zinc/77/00/20/680770020.db2.gz DIPZILBZXOOELP-UHFFFAOYSA-N 1 0 357.273 2.460 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)Nc2cc(OC)c(Br)cn2)CC1 ZINC000763224487 680776671 /nfs/dbraw/zinc/77/66/71/680776671.db2.gz KJBOUAAVQDKUID-UHFFFAOYSA-N 1 0 352.232 2.136 20 30 FEEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]CC(=O)NCc1ccc(S(C)(=O)=O)cc1 ZINC000661115418 678437104 /nfs/dbraw/zinc/43/71/04/678437104.db2.gz RRAHYNIZPXIPKN-WMZOPIPTSA-N 1 0 364.511 2.431 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CC[C@@H]2NC(=O)CC[C@H]2C1 ZINC000661597641 678509183 /nfs/dbraw/zinc/50/91/83/678509183.db2.gz MBZWBZZHMUGTNA-ZOBUZTSGSA-N 1 0 361.511 2.252 20 30 FEEDRO C=CC[C@@]1(C(=O)Nc2cccc(NS(=O)(=O)CCC)c2)CCC[NH2+]1 ZINC000662614229 678643427 /nfs/dbraw/zinc/64/34/27/678643427.db2.gz NXFSVTIHNZFUMK-KRWDZBQOSA-N 1 0 351.472 2.475 20 30 FEEDRO C[N@H+](CC(=O)NC1CCN(c2ccccc2C#N)CC1)[C@H]1CCSC1 ZINC000764061483 680799302 /nfs/dbraw/zinc/79/93/02/680799302.db2.gz GVYXSAFUVSHRMG-KRWDZBQOSA-N 1 0 358.511 2.081 20 30 FEEDRO C=C(C[NH+](C)C)C(=O)N(CCC)CC(=O)Nc1ccc(F)c(F)c1F ZINC000764096347 680799954 /nfs/dbraw/zinc/79/99/54/680799954.db2.gz CWUQKTCEPQZUSH-UHFFFAOYSA-N 1 0 357.376 2.399 20 30 FEEDRO C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CCS[C@H](CC)C1 ZINC000669033913 679216188 /nfs/dbraw/zinc/21/61/88/679216188.db2.gz CMDVLIAOIDCSEU-OAGGEKHMSA-N 1 0 363.531 2.332 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N1CCC(F)(F)CC1)C(C)C ZINC000671082046 679309764 /nfs/dbraw/zinc/30/97/64/679309764.db2.gz ONSUHVVSQASMPX-HNNXBMFYSA-N 1 0 357.445 2.059 20 30 FEEDRO CCOc1ccc(C(C)=NNC(=S)NCCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000765577619 680847029 /nfs/dbraw/zinc/84/70/29/680847029.db2.gz SPONREBOJIHEOX-UHFFFAOYSA-N 1 0 367.475 2.133 20 30 FEEDRO C#CCC[NH+]1CCC(NS(=O)(=O)Cc2cc(Cl)ccc2F)CC1 ZINC000840951516 680856389 /nfs/dbraw/zinc/85/63/89/680856389.db2.gz BPJVRFJIUQEHEO-UHFFFAOYSA-N 1 0 358.866 2.386 20 30 FEEDRO C=CCC[C@@H]([NH2+]CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)C1CC1 ZINC000747858778 679908191 /nfs/dbraw/zinc/90/81/91/679908191.db2.gz YWFAAWDFJUIEIN-MRXNPFEDSA-N 1 0 351.491 2.400 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[N@@H+](CCc2ccns2)CC1(C)C ZINC000974589377 679960738 /nfs/dbraw/zinc/96/07/38/679960738.db2.gz UTAQHXOGPVLEFD-IKGGRYGDSA-N 1 0 363.527 2.493 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](CC2CCOCC2)C1 ZINC001008806998 679961451 /nfs/dbraw/zinc/96/14/51/679961451.db2.gz BRHMVAGIQKNMPM-QYZOEREBSA-N 1 0 350.503 2.365 20 30 FEEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)c3nccnc3Cl)CC2)c1 ZINC000911921038 685282917 /nfs/dbraw/zinc/28/29/17/685282917.db2.gz DABLLJSKIQUQOV-UHFFFAOYSA-N 1 0 355.829 2.396 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[N@@H+](CCc2scnc2C)CC1(C)C ZINC000975055280 680009218 /nfs/dbraw/zinc/00/92/18/680009218.db2.gz KGGOAUQLRDTNMU-VYDXJSESSA-N 1 0 363.527 2.412 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CCCC2CCOCC2)C1 ZINC001014466505 680036945 /nfs/dbraw/zinc/03/69/45/680036945.db2.gz CMTQFNASNSLDSK-QRVBRYPASA-N 1 0 350.503 2.365 20 30 FEEDRO C=C(Cl)C(C)(C)C(=O)N1C[C@@H]2CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@]2(C)C1 ZINC000993071035 680146325 /nfs/dbraw/zinc/14/63/25/680146325.db2.gz GDZGJJCHGQGLIB-QMTMVMCOSA-N 1 0 369.937 2.412 20 30 FEEDRO C=C(Br)CNC(=O)Nc1cc(C)nn1C1CC[NH+](C)CC1 ZINC000751009331 680147371 /nfs/dbraw/zinc/14/73/71/680147371.db2.gz ASAFJAXNOPQXHK-UHFFFAOYSA-N 1 0 356.268 2.488 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](CC(=C)Br)C[C@H]21 ZINC000978167040 680170398 /nfs/dbraw/zinc/17/03/98/680170398.db2.gz MXGCCQKSFVWNSU-SUJAAXHWSA-N 1 0 369.303 2.170 20 30 FEEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)CCCCOc1ccc(Br)cc1 ZINC000834485003 680233507 /nfs/dbraw/zinc/23/35/07/680233507.db2.gz QVCSMGWUGKJTBL-WFASDCNBSA-N 1 0 366.259 2.226 20 30 FEEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)c1ccc(Sc2ccccc2Cl)nn1 ZINC000834489039 680233938 /nfs/dbraw/zinc/23/39/38/680233938.db2.gz IOAVGWQVYMCIMU-GXFFZTMASA-N 1 0 359.842 2.123 20 30 FEEDRO Cc1nc(COc2ccc(F)cc2)sc1C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000834516731 680237180 /nfs/dbraw/zinc/23/71/80/680237180.db2.gz LJYXCZVEBDUNFJ-SMDDNHRTSA-N 1 0 360.414 2.011 20 30 FEEDRO CCOc1ccc(-c2nc(C)c(C(=O)N[C@H]3C[NH2+]C[C@H]3C#N)s2)cc1 ZINC000834515894 680237230 /nfs/dbraw/zinc/23/72/30/680237230.db2.gz DCVKJMWPPIRDBX-HIFRSBDPSA-N 1 0 356.451 2.359 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ncc(Cl)n2C)C1 ZINC001022834418 680241028 /nfs/dbraw/zinc/24/10/28/680241028.db2.gz RXMNLVHCFHWIOC-LOUJCGABSA-N 1 0 366.893 2.182 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](CC2CCOCC2)C1 ZINC001023375029 680257703 /nfs/dbraw/zinc/25/77/03/680257703.db2.gz FQZKECOQRXDGFC-OTWHNJEPSA-N 1 0 350.503 2.222 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[N@H+](CCOC2CCC2)CC1 ZINC000982135098 680270559 /nfs/dbraw/zinc/27/05/59/680270559.db2.gz QRNSYKHIGNSGPC-OALUTQOASA-N 1 0 350.503 2.461 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[N@H+](CCC[C@H]2CCOC2)CC1 ZINC000982173678 680272545 /nfs/dbraw/zinc/27/25/45/680272545.db2.gz PBIVWCBIVAPPOT-FHWLQOOXSA-N 1 0 350.503 2.319 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@]2(C)C[N@@H+](C[C@H](CC)OC)C[C@]2(C)C1 ZINC000982574981 680281274 /nfs/dbraw/zinc/28/12/74/680281274.db2.gz QRKYYLRMXRAEHI-SQIBXOBRSA-N 1 0 350.503 2.173 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([NH2+]C[C@@H]2CC(C)(C)CO2)CC1 ZINC000996600979 680336405 /nfs/dbraw/zinc/33/64/05/680336405.db2.gz OIRFMKDUPTWGPB-KSZLIROESA-N 1 0 350.503 2.363 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](C[C@@H]3CCC(F)(F)C3)C[C@H]21 ZINC001026101819 680342631 /nfs/dbraw/zinc/34/26/31/680342631.db2.gz JZWQLRTUIQFSBI-DZTUFKMZSA-N 1 0 354.441 2.449 20 30 FEEDRO C=C(Br)C[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2c2cncn2C)CC1 ZINC000997014415 680345427 /nfs/dbraw/zinc/34/54/27/680345427.db2.gz AAESGZYNXILMNN-ZIAGYGMSSA-N 1 0 367.291 2.013 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([NH2+]Cc2c(C)nn(C)c2Cl)CC1 ZINC000997012965 680345456 /nfs/dbraw/zinc/34/54/56/680345456.db2.gz YCNOLAVREVGNEV-ZBFHGGJFSA-N 1 0 366.893 2.054 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]Cc2nnc(CC)s2)C1 ZINC001027117064 680355744 /nfs/dbraw/zinc/35/57/44/680355744.db2.gz PDSFKAWEKHPXFC-KEYYUXOJSA-N 1 0 364.515 2.020 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC(C[NH2+]C[C@@H]2CCCCO2)CC1 ZINC000997784104 680366500 /nfs/dbraw/zinc/36/65/00/680366500.db2.gz AQADBROIBVJJRS-OTWHNJEPSA-N 1 0 350.503 2.365 20 30 FEEDRO C=C(Cl)C[N@H+]1CCC[C@H](N(CC)C(=O)[C@H]2C[C@H]2C(=O)N(C)C)CC1 ZINC000998110146 680375814 /nfs/dbraw/zinc/37/58/14/680375814.db2.gz MHNLTJNSORRRTN-XHSDSOJGSA-N 1 0 355.910 2.166 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([C@@H](C)[NH2+]CC2CCOCC2)CC1 ZINC001029146848 680387161 /nfs/dbraw/zinc/38/71/61/680387161.db2.gz WLUJPDQXZIBAIG-LZQZEXGQSA-N 1 0 350.503 2.221 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([C@H](C)[NH2+]Cc2nnc(C)s2)CC1 ZINC001029146047 680387296 /nfs/dbraw/zinc/38/72/96/680387296.db2.gz JIUNHBBGULOPHR-MAZHCROVSA-N 1 0 364.515 2.154 20 30 FEEDRO CC(C)[C@@H](CNc1cccc(S(N)(=O)=O)c1C#N)[NH+]1CCC(C)CC1 ZINC000754980051 680391622 /nfs/dbraw/zinc/39/16/22/680391622.db2.gz NNGANPJXCIKDSG-QGZVFWFLSA-N 1 0 364.515 2.374 20 30 FEEDRO CN(C(=O)[C@@H]1C[C@H]1c1c[nH]cn1)C1CC([NH2+]Cc2ccc(C#N)s2)C1 ZINC000998937460 680392239 /nfs/dbraw/zinc/39/22/39/680392239.db2.gz VKTFACWAWSQDMH-DCNYZXSGSA-N 1 0 355.467 2.226 20 30 FEEDRO CC[NH+](CC)[C@@H](CNc1cccc(S(N)(=O)=O)c1C#N)c1ccco1 ZINC000754990733 680392802 /nfs/dbraw/zinc/39/28/02/680392802.db2.gz OYRCJQHHLJAYNL-HNNXBMFYSA-N 1 0 362.455 2.294 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2csnc2OC)C1 ZINC001000434177 680431858 /nfs/dbraw/zinc/43/18/58/680431858.db2.gz KMSGJHMNOPASRK-PMPSAXMXSA-N 1 0 365.499 2.214 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]Cc2csnc2OC)C1 ZINC001000434176 680431866 /nfs/dbraw/zinc/43/18/66/680431866.db2.gz KMSGJHMNOPASRK-JYJNAYRXSA-N 1 0 365.499 2.214 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2cc(OC)ns2)C1 ZINC001000427218 680431912 /nfs/dbraw/zinc/43/19/12/680431912.db2.gz MOYMQCROVCAOOY-KMFMINBZSA-N 1 0 365.499 2.214 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](CCC2CCOCC2)C1 ZINC001034408651 680435540 /nfs/dbraw/zinc/43/55/40/680435540.db2.gz MGCMKVCSDSTYBZ-OTWHNJEPSA-N 1 0 350.503 2.365 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]C[C@@H]2CC(C)(C)CO2)CC1 ZINC001034738762 680439221 /nfs/dbraw/zinc/43/92/21/680439221.db2.gz HCHXOJFLCQAJMD-TXTZMMAHSA-N 1 0 350.503 2.410 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)NC[C@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000836258578 680442278 /nfs/dbraw/zinc/44/22/78/680442278.db2.gz RHRFFPNMRXXCGL-MRXNPFEDSA-N 1 0 362.905 2.421 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)NCc1ccc(F)cc1Br ZINC000836304652 680448003 /nfs/dbraw/zinc/44/80/03/680448003.db2.gz PGHQCWYKNYUYEK-UHFFFAOYSA-N 1 0 356.239 2.343 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1C[N@H+](CC2CCCC2)CCO1 ZINC001035539963 680449980 /nfs/dbraw/zinc/44/99/80/680449980.db2.gz SCZUZUDGQGHDFW-FHWLQOOXSA-N 1 0 350.503 2.365 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)NCC1CC[NH+](CC[C@H]2CCCO2)CC1 ZINC001001413019 680460813 /nfs/dbraw/zinc/46/08/13/680460813.db2.gz KWIJRKVZZIWIPV-QRVBRYPASA-N 1 0 350.503 2.365 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001001934518 680482421 /nfs/dbraw/zinc/48/24/21/680482421.db2.gz QOYRMBUZAKCBAK-QYZOEREBSA-N 1 0 350.503 2.222 20 30 FEEDRO CC[C@@H](C(=O)N1CC[C@H]2CN(c3nc(Cl)c(C#N)s3)C[C@H]21)[NH+](C)C ZINC001040671493 680482497 /nfs/dbraw/zinc/48/24/97/680482497.db2.gz SUZXQXPIYKAEBN-SDDRHHMPSA-N 1 0 367.906 2.045 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC2(C1)CC[NH+](C[C@@H](C)OC)CC2 ZINC001040705105 680483803 /nfs/dbraw/zinc/48/38/03/680483803.db2.gz CHCKQJVSSRESMF-KURKYZTESA-N 1 0 350.503 2.317 20 30 FEEDRO C#CC[N@H+]1CCC[C@H]1COC(=O)CCCNC(=O)c1ccc(Cl)cc1 ZINC000756541688 680483936 /nfs/dbraw/zinc/48/39/36/680483936.db2.gz DBWGJFPJGKLOHH-KRWDZBQOSA-N 1 0 362.857 2.491 20 30 FEEDRO C#CC[N@H+]1CCC[C@@H]1COC(=O)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000756545463 680484348 /nfs/dbraw/zinc/48/43/48/680484348.db2.gz YBUVVCCLMVVTGK-HUUCEWRRSA-N 1 0 360.841 2.334 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@]2(CC[N@H+](CCc3ccns3)C2)C1 ZINC001041695655 680508561 /nfs/dbraw/zinc/50/85/61/680508561.db2.gz DLDGNWIXWIAOMM-ZIFCJYIRSA-N 1 0 361.511 2.201 20 30 FEEDRO C[C@@H]1CN(c2ncc(C#N)cc2Cl)C[C@H]1NC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001042511170 680533275 /nfs/dbraw/zinc/53/32/75/680533275.db2.gz WLTGYZOZTKPAKU-DVOMOZLQSA-N 1 0 361.877 2.032 20 30 FEEDRO CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](Nc2snc(C)c2C#N)C1 ZINC001043219912 680567065 /nfs/dbraw/zinc/56/70/65/680567065.db2.gz WTEXSWWCTLRZNZ-DAXOMENPSA-N 1 0 361.515 2.456 20 30 FEEDRO C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1Nc1nc(C#N)c(Cl)s1 ZINC001043359091 680577429 /nfs/dbraw/zinc/57/74/29/680577429.db2.gz REQUQEGFZIJRCT-WQAKAFBOSA-N 1 0 367.906 2.267 20 30 FEEDRO C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@H]1Nc1nc(Cl)c(C#N)s1 ZINC001043512368 680584956 /nfs/dbraw/zinc/58/49/56/680584956.db2.gz NQGORRKZEQPGAK-IJLUTSLNSA-N 1 0 367.906 2.411 20 30 FEEDRO C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1Nc1snc(Cl)c1C#N ZINC001043585004 680589716 /nfs/dbraw/zinc/58/97/16/680589716.db2.gz HUOWJWRGVGTHPK-ZWNOBZJWSA-N 1 0 367.906 2.411 20 30 FEEDRO C=C(Br)CN1CCC(C)(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001045445011 680630289 /nfs/dbraw/zinc/63/02/89/680630289.db2.gz OOMABBBHLCCPCI-ZIAGYGMSSA-N 1 0 358.324 2.206 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)NC1(C)CC[NH+](C[C@@H](OC)C2CCC2)CC1 ZINC001045563423 680634855 /nfs/dbraw/zinc/63/48/55/680634855.db2.gz FSMGEKNWIDDLBM-FGTMMUONSA-N 1 0 350.503 2.363 20 30 FEEDRO C=C(Cl)C(C)(C)C(=O)N1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001007478849 680643856 /nfs/dbraw/zinc/64/38/56/680643856.db2.gz CUWVIQUDIKFARG-VCBZYWHSSA-N 1 0 367.921 2.214 20 30 FEEDRO C=C(C)CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001046956958 680654722 /nfs/dbraw/zinc/65/47/22/680654722.db2.gz BVLRCGIEEXHWBE-JHMPBIJASA-N 1 0 354.441 2.449 20 30 FEEDRO CCOC(=O)Nc1ccc(NC(=O)N[C@H](CC[NH3+])C(F)F)cc1C#N ZINC000841157090 680866499 /nfs/dbraw/zinc/86/64/99/680866499.db2.gz XBZGCUQTGBTAKR-GFCCVEGCSA-N 1 0 355.345 2.231 20 30 FEEDRO Cc1nn(-c2cccc(F)c2)cc1C=NNC(=S)NCCC[NH+](C)C ZINC000841625035 680903831 /nfs/dbraw/zinc/90/38/31/680903831.db2.gz YOWXLLDXNWCECD-UHFFFAOYSA-N 1 0 362.478 2.070 20 30 FEEDRO CN(C1CCC([NH3+])CC1)S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000842736595 680963034 /nfs/dbraw/zinc/96/30/34/680963034.db2.gz BOTUIAGTPBKSNV-UHFFFAOYSA-N 1 0 361.389 2.467 20 30 FEEDRO C#CCOCCNC(=O)NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000769519486 680985763 /nfs/dbraw/zinc/98/57/63/680985763.db2.gz MZHXNJHOEAFJED-OAHLLOKOSA-N 1 0 357.376 2.257 20 30 FEEDRO N#Cc1ccc(OC[C@@H](O)C[NH2+]C[C@@H](O)c2c(F)cccc2Cl)cc1 ZINC000843084045 680986596 /nfs/dbraw/zinc/98/65/96/680986596.db2.gz MPPKSSANHPUXIV-SUMWQHHRSA-N 1 0 364.804 2.414 20 30 FEEDRO C[C@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)[C@H](O)c1cccc(F)c1 ZINC000843100408 680987786 /nfs/dbraw/zinc/98/77/86/680987786.db2.gz CWEPXSRSHFLAEP-UGSOOPFHSA-N 1 0 362.426 2.183 20 30 FEEDRO C[C@H]([NH2+]C[C@H](O)CN(C)CCC#N)[C@H](O)c1c(Cl)cccc1Cl ZINC000843102972 680987819 /nfs/dbraw/zinc/98/78/19/680987819.db2.gz HZDMUXIAUJGQPE-MKBNYLNASA-N 1 0 360.285 2.211 20 30 FEEDRO CN(CCC#N)C(=O)CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)OC(C)(C)C ZINC000771446495 681056152 /nfs/dbraw/zinc/05/61/52/681056152.db2.gz MUPVRHRQGFUHNT-OAHLLOKOSA-N 1 0 352.479 2.080 20 30 FEEDRO C[C@@H]1[C@@H](NC(=O)C[N@H+]2CCC[C@@H]2C)CCN1c1ncc(C#N)cc1Cl ZINC001051027576 681060842 /nfs/dbraw/zinc/06/08/42/681060842.db2.gz XDRKEICSXHRQIL-ZENOOKHLSA-N 1 0 361.877 2.174 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)O[C@@H](C)C(=O)Nc2c(F)cccc2F)CC1 ZINC000772109147 681086178 /nfs/dbraw/zinc/08/61/78/681086178.db2.gz IMOUJJKJTVGASF-LBPRGKRZSA-N 1 0 350.365 2.180 20 30 FEEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)NOCC(F)(F)F)CC2)c1 ZINC000845064361 681101353 /nfs/dbraw/zinc/10/13/53/681101353.db2.gz OGIXNKUJCGAUEB-UHFFFAOYSA-N 1 0 356.348 2.316 20 30 FEEDRO C=C(Br)COC(=O)[C@H](CC[NH+](C)C)NC(=O)OC(C)(C)C ZINC000845240577 681113112 /nfs/dbraw/zinc/11/31/12/681113112.db2.gz KKFLCGMVVBGCNM-NSHDSACASA-N 1 0 365.268 2.283 20 30 FEEDRO CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N ZINC000773271671 681133841 /nfs/dbraw/zinc/13/38/41/681133841.db2.gz VTEBZYJCCRDSLS-ZIAGYGMSSA-N 1 0 352.479 2.125 20 30 FEEDRO CC[C@@H]1[C@@H](C(=O)N2CCN(c3nc(Cl)c(C#N)s3)CC2)CC[N@@H+]1C ZINC001056054660 681152031 /nfs/dbraw/zinc/15/20/31/681152031.db2.gz JIJXJQRKRWLUOT-NWDGAFQWSA-N 1 0 367.906 2.047 20 30 FEEDRO C=C(C[NH+](C)C)C(=O)N1C[C@@H]2CCC[C@]2(CNC(=O)OC(C)(C)C)C1 ZINC000846323832 681226030 /nfs/dbraw/zinc/22/60/30/681226030.db2.gz KZBTUCFCYRDVMW-KXBFYZLASA-N 1 0 351.491 2.258 20 30 FEEDRO CC[N@H+](CCC(N)=O)CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 ZINC000932480848 681252926 /nfs/dbraw/zinc/25/29/26/681252926.db2.gz MNYGEXBRVMOLBY-LBPRGKRZSA-N 1 0 362.499 2.270 20 30 FEEDRO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3ccnn3C)CC[C@@H]2C1 ZINC000946694401 681253582 /nfs/dbraw/zinc/25/35/82/681253582.db2.gz VJUUVHXWLRSDCV-YYIAUSFCSA-N 1 0 362.905 2.447 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](C[C@H](CC)OC)C[C@H]2CC1 ZINC000946787911 681261093 /nfs/dbraw/zinc/26/10/93/681261093.db2.gz GJSWMWFKUGUVGL-APAFKAMOSA-N 1 0 350.503 2.173 20 30 FEEDRO C#CC[C@@H]([NH2+]CCCN1C(=O)CS/C1=C\C(=O)OC)c1ccccc1 ZINC000775401833 681304275 /nfs/dbraw/zinc/30/42/75/681304275.db2.gz ZMTQWANSRULNAE-OKSBFYSISA-N 1 0 358.463 2.321 20 30 FEEDRO CC(=O)[C@](C)(O)C[NH+]1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932943948 681332581 /nfs/dbraw/zinc/33/25/81/681332581.db2.gz LOKDNWPKNRIRMH-IWSPIJDZSA-N 1 0 369.252 2.429 20 30 FEEDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)C2(C#N)CCSCC2)[C@@H](C)C1 ZINC000932945638 681332941 /nfs/dbraw/zinc/33/29/41/681332941.db2.gz DMPNNPCNJYSBKF-JKSUJKDBSA-N 1 0 353.532 2.277 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N(C)Cc2ccc3c(c2)OC(F)(F)O3)CC1 ZINC000847218294 681346747 /nfs/dbraw/zinc/34/67/47/681346747.db2.gz YGCXZDYMDKTNFN-UHFFFAOYSA-N 1 0 350.365 2.312 20 30 FEEDRO C#CCN1CCN(C(=O)C[NH2+][C@H](c2ccc(Cl)cc2)[C@@H]2C[C@H]2C)CC1 ZINC000776026564 681357254 /nfs/dbraw/zinc/35/72/54/681357254.db2.gz OQJWFPRRUWGZOA-XFQXTVEOSA-N 1 0 359.901 2.404 20 30 FEEDRO C#CCC[NH+]1CCN(Cc2nc3ccc(Br)cc3n2C)CC1 ZINC000776798298 681437502 /nfs/dbraw/zinc/43/75/02/681437502.db2.gz JETRBXLCUNYLHW-UHFFFAOYSA-N 1 0 361.287 2.477 20 30 FEEDRO C[N@@H+]1CC[C@@H](CCOC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)C1 ZINC000847826425 681437891 /nfs/dbraw/zinc/43/78/91/681437891.db2.gz GYADJPALOKGYBV-HNNXBMFYSA-N 1 0 364.467 2.263 20 30 FEEDRO C=CCNS(=O)(=O)c1cccc(C(=O)OC[C@H](C)[NH+]2CCCCC2)c1 ZINC000847958810 681455719 /nfs/dbraw/zinc/45/57/19/681455719.db2.gz NOFCTSIEQYHNPK-HNNXBMFYSA-N 1 0 366.483 2.182 20 30 FEEDRO C=C(C)[C@H](CO)[N@@H+]1C[C@@H](C)OC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000933860862 681475316 /nfs/dbraw/zinc/47/53/16/681475316.db2.gz MXLAWLOSWKPSKM-CVEARBPZSA-N 1 0 354.491 2.414 20 30 FEEDRO N#Cc1ccc(Br)c(CN2CC[C@H]3[C@H]2CCC[N@H+]3CCO)c1 ZINC000934264933 681538998 /nfs/dbraw/zinc/53/89/98/681538998.db2.gz JSHIAZMMAJPFAX-SJORKVTESA-N 1 0 364.287 2.352 20 30 FEEDRO CN(C(=O)[C@]12C[C@H]1COC2)[C@@H]1CCC[N@H+](Cc2ccc(C#N)s2)CC1 ZINC000948392179 681578113 /nfs/dbraw/zinc/57/81/13/681578113.db2.gz BNCUPFFTFIBPDC-KHYOSLBOSA-N 1 0 359.495 2.469 20 30 FEEDRO C#CCOc1cccc(Cl)c1CNCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000778167212 681582231 /nfs/dbraw/zinc/58/22/31/681582231.db2.gz BDXPDTFTFRXZRS-OAHLLOKOSA-N 1 0 363.889 2.029 20 30 FEEDRO C=CCC[N@H+]1CCC[C@H](N(C)C(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)CC1 ZINC000948547305 681588897 /nfs/dbraw/zinc/58/88/97/681588897.db2.gz WLHZBLYTFWDSFD-ZNMIVQPWSA-N 1 0 364.408 2.222 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCOC2(CC[NH+](C/C=C/Cl)CC2)C1 ZINC000949095802 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C=CC1(CC(=O)N(C)CC[N@H+](C)C2CC2)CN(C(=O)OC(C)(C)C)C1 ZINC000935439215 681750501 /nfs/dbraw/zinc/75/05/01/681750501.db2.gz NMEXQVWBCXLGSW-UHFFFAOYSA-N 1 0 351.491 2.352 20 30 FEEDRO COc1cccc([C@H](CNS(=O)(=O)CC(C)(C)C#N)[NH+]2CCCC2)c1 ZINC000913853946 685486714 /nfs/dbraw/zinc/48/67/14/685486714.db2.gz RVXAHAIYHQYZGO-KRWDZBQOSA-N 1 0 365.499 2.301 20 30 FEEDRO N#Cc1ccc(N2CCC([NH2+]CC[S@](=O)CC(F)(F)F)CC2)cc1 ZINC000850349836 681889288 /nfs/dbraw/zinc/88/92/88/681889288.db2.gz LDNCCXKWIUQPDH-DEOSSOPVSA-N 1 0 359.417 2.428 20 30 FEEDRO C[C@@H]([NH2+]C[C@H](O)c1ccc(C#N)cc1)c1cccc(NS(C)(=O)=O)c1 ZINC000781910872 681987811 /nfs/dbraw/zinc/98/78/11/681987811.db2.gz OXJYFDGQNQOFFE-ACJLOTCBSA-N 1 0 359.451 2.314 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)CCCCNC(=O)OC(C)(C)C)CC1 ZINC000781994781 681996137 /nfs/dbraw/zinc/99/61/37/681996137.db2.gz UYCOVGXFNZJCDP-UHFFFAOYSA-N 1 0 351.491 2.285 20 30 FEEDRO N#CCc1ccc(OC[C@H](O)C[NH2+]C[C@H](O)c2cccc(Cl)c2)cc1 ZINC000915227679 685513407 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FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCCCC[N@@H+]1CC1CCOCC1 ZINC000969038202 682254872 /nfs/dbraw/zinc/25/48/72/682254872.db2.gz ZIEJZLAGGVXMAU-OTWHNJEPSA-N 1 0 350.503 2.365 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H](C)C1C[NH+](CCOC2CCC2)C1 ZINC000970560684 682307593 /nfs/dbraw/zinc/30/75/93/682307593.db2.gz OWMRHQBZTGPVOW-SNRMKQJTSA-N 1 0 350.503 2.363 20 30 FEEDRO N#CCCOCC[NH+]1CCC([C@H]2CCCN(C(=O)C(F)(F)F)C2)CC1 ZINC000852604595 682307998 /nfs/dbraw/zinc/30/79/98/682307998.db2.gz RFJXCWKATUWHGJ-HNNXBMFYSA-N 1 0 361.408 2.430 20 30 FEEDRO COC(=O)NC1CC[NH+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000852768303 682340662 /nfs/dbraw/zinc/34/06/62/682340662.db2.gz QVBMNFPVPPDRKI-UHFFFAOYSA-N 1 0 364.833 2.361 20 30 FEEDRO COc1ccc(Cl)cc1N1CC[C@@H](NC(=O)C#CC2CC[NH2+]CC2)C1 ZINC000852865018 682351574 /nfs/dbraw/zinc/35/15/74/682351574.db2.gz PISPAKOHGYSVJM-MRXNPFEDSA-N 1 0 361.873 2.047 20 30 FEEDRO C#CCN(CC(=O)OC(C)(C)C)C(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000853277457 682401489 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FEEDRO COC[C@]1(C[NH2+]C[C@H](C#N)CCC#N)CCCN1C(=O)OC(C)(C)C ZINC000795353881 683043719 /nfs/dbraw/zinc/04/37/19/683043719.db2.gz RGUZBQMFNRPJSN-MAUKXSAKSA-N 1 0 350.463 2.436 20 30 FEEDRO C=C[C@](C)(CCOC)C(=O)N[C@@H]1C[C@@]2(C[N@@H+](CC)[C@@H]2C(C)C)C[C@H]1O ZINC000926245387 683097009 /nfs/dbraw/zinc/09/70/09/683097009.db2.gz ULWSQGZZCPOFQM-GNVJSZRZSA-N 1 0 352.519 2.201 20 30 FEEDRO C=C[C@H]1CCCC[N@H+]1CCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000796050199 683122975 /nfs/dbraw/zinc/12/29/75/683122975.db2.gz PGRADYSYXNLQCZ-INIZCTEOSA-N 1 0 351.491 2.496 20 30 FEEDRO COC(=O)[C@]12C[N@H+](Cc3cc(Cl)ccc3OCC#N)C[C@H]1COCC2 ZINC000796523572 683167978 /nfs/dbraw/zinc/16/79/78/683167978.db2.gz PWVWCSGJHMZXAE-KBXCAEBGSA-N 1 0 364.829 2.254 20 30 FEEDRO C#CCN1CCN(C(=O)C[NH+]2CCC(c3cccc(Cl)c3)CC2)CC1 ZINC000796533783 683168314 /nfs/dbraw/zinc/16/83/14/683168314.db2.gz NAOARIKEOVCWDX-UHFFFAOYSA-N 1 0 359.901 2.297 20 30 FEEDRO C#CC[N@H+]1CCC[C@H]1COC(=O)[C@H]1CCCn2cc(C(F)(F)F)nc21 ZINC000860529685 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363.255 2.139 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)[C@H](CC(=C)Cl)NC(=O)OC(C)(C)C)CC1 ZINC000928660197 683483218 /nfs/dbraw/zinc/48/32/18/683483218.db2.gz LRWFISUSSZOUCU-HNNXBMFYSA-N 1 0 369.893 2.236 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)COc2ccc(Br)cc2)CC1 ZINC000928661348 683483234 /nfs/dbraw/zinc/48/32/34/683483234.db2.gz SLIALTSBLYYVEF-UHFFFAOYSA-N 1 0 351.244 2.042 20 30 FEEDRO C[NH+](C)CC#CCNC(=O)Nc1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000929595163 683614469 /nfs/dbraw/zinc/61/44/69/683614469.db2.gz NAPFIPHKCNRVCF-UHFFFAOYSA-N 1 0 363.483 2.089 20 30 FEEDRO C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cccc2c(C)ccnc21 ZINC000922022537 683638791 /nfs/dbraw/zinc/63/87/91/683638791.db2.gz MTUJANFWGYPBIN-UHFFFAOYSA-N 1 0 357.479 2.261 20 30 FEEDRO COc1ccc(C[NH2+]CC2(S(=O)(=O)NC(C)(C)C)CCC2)cc1C#N ZINC000922474478 683730573 /nfs/dbraw/zinc/73/05/73/683730573.db2.gz OLOYWUZZTKNGLK-UHFFFAOYSA-N 1 0 365.499 2.297 20 30 FEEDRO N#CC1(C[C@@H](O)C[NH2+]C[C@H](O)c2ccc(Cl)c(F)c2)CCOCC1 ZINC000863563388 683742589 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2.046 20 30 FEEDRO C[C@@H](NS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1)C1CC[NH2+]CC1 ZINC000866811257 684158010 /nfs/dbraw/zinc/15/80/10/684158010.db2.gz OKCOZXVLLHEJGQ-SNVBAGLBSA-N 1 0 361.389 2.243 20 30 FEEDRO C#CC[C@@H](CO)NC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000923449158 684282320 /nfs/dbraw/zinc/28/23/20/684282320.db2.gz KNUJAIADIREVTQ-WFASDCNBSA-N 1 0 358.269 2.280 20 30 FEEDRO FC1(F)[C@H]2CN(C[C@H]3C[NH2+]CCO3)C[C@H]2C(F)(F)C(F)(F)C1(F)F ZINC000923530821 684299808 /nfs/dbraw/zinc/29/98/08/684299808.db2.gz KERCIRBABOSFPM-HLTSFMKQSA-N 1 0 368.268 2.078 20 30 FEEDRO C#CCN1CCC[C@@H](NC(=O)c2sc(N3CCCC3)nc2Cl)C1 ZINC000923581182 684308439 /nfs/dbraw/zinc/30/84/39/684308439.db2.gz GVRHFABENDJMFS-GFCCVEGCSA-N 1 0 352.891 2.224 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)Nc2cc(Br)cnc2C)CC1 ZINC000931642723 684318437 /nfs/dbraw/zinc/31/84/37/684318437.db2.gz CFPVNRFJOSNWDT-UHFFFAOYSA-N 1 0 351.248 2.372 20 30 FEEDRO C[NH+]1CCC2(CCN(S(=O)(=O)c3cccc(F)c3C#N)CC2)CC1 ZINC000867619719 684333875 /nfs/dbraw/zinc/33/38/75/684333875.db2.gz ZABPHOWYIXHTRR-UHFFFAOYSA-N 1 0 351.447 2.194 20 30 FEEDRO CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)C(=O)Nc2ccc(C#N)cc2Cl)C1 ZINC000868312299 684479110 /nfs/dbraw/zinc/47/91/10/684479110.db2.gz OPNPEANPDFHADH-SFHVURJKSA-N 1 0 362.861 2.374 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 ZINC000868582120 684513936 /nfs/dbraw/zinc/51/39/36/684513936.db2.gz SKPFPVPWSYQIHQ-WKILWMFISA-N 1 0 351.491 2.141 20 30 FEEDRO C#CCSCC[NH2+][C@H]1[C@@H]2COC[C@H]1C[C@H](NC(=O)OC(C)(C)C)C2 ZINC000925455851 684563792 /nfs/dbraw/zinc/56/37/92/684563792.db2.gz RQHGUNRQUMZDOW-SYMSYNOKSA-N 1 0 354.516 2.261 20 30 FEEDRO C[NH+](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC1(C#N)CCCCC1 ZINC000869276695 684599772 /nfs/dbraw/zinc/59/97/72/684599772.db2.gz GLPBYAWQVKXLMY-AWEZNQCLSA-N 1 0 352.479 2.032 20 30 FEEDRO Cc1ccc(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)c(C#N)c1 ZINC000871806220 684858717 /nfs/dbraw/zinc/85/87/17/684858717.db2.gz ZCQBAONPNQLVFO-CHWSQXEVSA-N 1 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2.362 20 30 FEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1ccc(I)c(C)n1 ZINC000876854496 686282347 /nfs/dbraw/zinc/28/23/47/686282347.db2.gz HXGZBFGXAWDMFS-SECBINFHSA-N 1 0 365.602 2.403 20 30 FEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)NCCc1ccc(OCC(F)(F)F)nc1 ZINC000876892247 686288252 /nfs/dbraw/zinc/28/82/52/686288252.db2.gz INKWFDZRBRGQII-LLVKDONJSA-N 1 0 351.756 2.151 20 30 FEEDRO N#Cc1cnc(Cl)c(C[NH2+][C@@H]2CCN(c3ccccc3C(N)=O)C2)c1 ZINC000877028251 686313372 /nfs/dbraw/zinc/31/33/72/686313372.db2.gz UHCUFGCQWRCBJR-CQSZACIVSA-N 1 0 355.829 2.074 20 30 FEEDRO C=CCS(=O)(=O)CC[NH2+][C@H]1C[C@H](NC(=O)OC(C)(C)C)C12CCC2 ZINC000877194327 686338696 /nfs/dbraw/zinc/33/86/96/686338696.db2.gz IGGFKHVZEUIGAP-KBPBESRZSA-N 1 0 358.504 2.013 20 30 FEEDRO CN(CCC#N)c1ccc(C[NH+]2CC(CNC(=O)C(F)(F)F)C2)cc1 ZINC000877777915 686454549 /nfs/dbraw/zinc/45/45/49/686454549.db2.gz GIOIZXDBSVBGDT-UHFFFAOYSA-N 1 0 354.376 2.147 20 30 FEEDRO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879576984 686861979 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COCCOc1ccc(NC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)cc1Cl ZINC000884096859 687788296 /nfs/dbraw/zinc/78/82/96/687788296.db2.gz KSWYMWIKONCPOG-XYEKJYRLSA-N 1 0 363.845 2.443 20 30 FEEDRO CSc1ccc(CNC(=O)NCC2([NH+](C)C)CCOCC2)cc1C#N ZINC000884162681 687805431 /nfs/dbraw/zinc/80/54/31/687805431.db2.gz LLJOEKUNNRVVLR-UHFFFAOYSA-N 1 0 362.499 2.190 20 30 FEEDRO CC(C)(Cc1ccc(Br)cc1)C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000884251275 687829403 /nfs/dbraw/zinc/82/94/03/687829403.db2.gz ZUYGGZFWBRSTDU-JSGCOSHPSA-N 1 0 350.260 2.246 20 30 FEEDRO C#CC[N@@H+](C[C@H](O)COC(C)C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000886426229 688253056 /nfs/dbraw/zinc/25/30/56/688253056.db2.gz OAJLUNVKTXTPGI-KRWDZBQOSA-N 1 0 354.491 2.107 20 30 FEEDRO C#CCN(C(=O)Cc1ccc(OC)c(OC)c1Cl)C1CC[NH+](C)CC1 ZINC000886574683 688278093 /nfs/dbraw/zinc/27/80/93/688278093.db2.gz OSYUQYCCYGQBOA-UHFFFAOYSA-N 1 0 364.873 2.456 20 30 FEEDRO C=CCCc1ccccc1NC(=O)C(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000887034996 688359966 /nfs/dbraw/zinc/35/99/66/688359966.db2.gz DFVLLCONRZFBPN-AWEZNQCLSA-N 1 0 351.397 2.105 20 30 FEEDRO Cc1c(C(=O)NCC2([NH+]3CCSCC3)CCCC2)cnn1CCC#N ZINC000888167157 688557455 /nfs/dbraw/zinc/55/74/55/688557455.db2.gz GANNZHNDYWJILT-UHFFFAOYSA-N 1 0 361.515 2.197 20 30 FEEDRO C#CCSCC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000889906555 688847930 /nfs/dbraw/zinc/84/79/30/688847930.db2.gz GIRUTZHBTKMCDS-MSOLQXFVSA-N 1 0 351.560 2.148 20 30 FEEDRO C[N@H+]1C[C@H]2CN(C(=O)NCC#Cc3cccc(C(F)(F)F)c3)C[C@H]2C1 ZINC000891718226 689097089 /nfs/dbraw/zinc/09/70/89/689097089.db2.gz PUUHPILCECLXMT-GASCZTMLSA-N 1 0 351.372 2.260 20 30 FEEDRO C[NH+](C)CC[C@@H](NC(=O)N1CCC2(CC1)CC(=O)C=CO2)C(C)(C)C ZINC000893065371 689291024 /nfs/dbraw/zinc/29/10/24/689291024.db2.gz LOYVUQIAQLLVBF-MRXNPFEDSA-N 1 0 351.491 2.400 20 30 FEEDRO C[C@@H]([NH2+]C1CCC(Oc2ccc(C#N)cn2)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000893220001 689315110 /nfs/dbraw/zinc/31/51/10/689315110.db2.gz HTZSAIPEYRGION-XNGJBWTFSA-N 1 0 363.483 2.056 20 30 FEEDRO C#CCSCC(=O)N1CC[C@]2(C1)CN(Cc1ccccc1)C[C@@H](C)O2 ZINC000893921133 689429788 /nfs/dbraw/zinc/42/97/88/689429788.db2.gz ICERLCPNGMWAQF-YLJYHZDGSA-N 1 0 358.507 2.245 20 30 FEEDRO COC(=O)[C@@H]1[C@H](C[NH2+]C2(c3cccc(C#N)c3)CCOCC2)C1(F)F ZINC000895277033 689689079 /nfs/dbraw/zinc/68/90/79/689689079.db2.gz BPSIHKHXFCCACT-GJZGRUSLSA-N 1 0 350.365 2.208 20 30 FEEDRO C=CCC[C@H](CCC)[NH2+]CC(=O)Nc1cccc(S(=O)(=O)NC)c1 ZINC000895487575 689725571 /nfs/dbraw/zinc/72/55/71/689725571.db2.gz QFQGJNJJMDFWMO-AWEZNQCLSA-N 1 0 353.488 2.258 20 30 FEEDRO C#C[C@@H](NC(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1)c1ccc(Br)cc1 ZINC000895687567 689754962 /nfs/dbraw/zinc/75/49/62/689754962.db2.gz WCUIAPSUFBGVQG-IJEWVQPXSA-N 1 0 362.271 2.326 20 30 FEEDRO C=CCOc1ccc(C[NH+]2CCC3(CC2)C[C@@H](O)CNC3=O)cc1Cl ZINC000897040419 689966578 /nfs/dbraw/zinc/96/65/78/689966578.db2.gz HZKRTGUEVGKZCG-OAHLLOKOSA-N 1 0 364.873 2.368 20 30 FEEDRO C=C(C)COc1cc(CN2C[C@@H]3CS(=O)(=O)C[C@@H]3C2)ccc1OC ZINC000897618329 690050008 /nfs/dbraw/zinc/05/00/08/690050008.db2.gz DBBNPNYALJEBIS-IYBDPMFKSA-N 1 0 351.468 2.127 20 30 FEEDRO COc1cc(C[NH2+]Cc2cccc(N(C)S(C)(=O)=O)c2)ccc1C#N ZINC000898284149 690154350 /nfs/dbraw/zinc/15/43/50/690154350.db2.gz HPISMEPAOJHUCO-UHFFFAOYSA-N 1 0 359.451 2.252 20 30 FEEDRO C[N@@H+]1CCC[C@](O)(CC(=O)N[C@@H](C#N)c2cccc(C(F)(F)F)c2)C1 ZINC000900645416 690542802 /nfs/dbraw/zinc/54/28/02/690542802.db2.gz YEUXKFOUYGSDDW-HOCLYGCPSA-N 1 0 355.360 2.233 20 30 FEEDRO NC(=[NH+]OCC1(Br)CC1)c1ccc(N2CCC(O)CC2)cc1 ZINC000902281290 690754057 /nfs/dbraw/zinc/75/40/57/690754057.db2.gz IZEOGRFIYOZIKF-UHFFFAOYSA-N 1 0 368.275 2.212 20 30 FEEDRO C[C@H]([NH2+]C[C@@H]1CCCC[C@H]1NS(C)(=O)=O)c1ccc(C#N)c(F)c1 ZINC000903235899 690873921 /nfs/dbraw/zinc/87/39/21/690873921.db2.gz XHQNWCMOELXXNB-YLQAJVPDSA-N 1 0 353.463 2.456 20 30 FEEDRO CC1(C)CC[NH2+]CCN1S(=O)(=O)c1ccc(Br)c(C#N)c1 ZINC000903516370 690907269 /nfs/dbraw/zinc/90/72/69/690907269.db2.gz LXWZJESCJTXPBF-UHFFFAOYSA-N 1 0 372.288 2.083 20 30 FEEDRO Cc1cc(C#N)cc(C)c1CS(=O)(=O)N1C[C@@H]([NH3+])Cc2ccccc21 ZINC000903522365 690910355 /nfs/dbraw/zinc/91/03/55/690910355.db2.gz NITQJCPFDFLVOI-KRWDZBQOSA-N 1 0 355.463 2.395 20 30 FEEDRO C[C@@](O)(C[NH2+]C[C@@H]1CCN(CC(F)(F)F)C1)C(F)(F)C(F)(F)F ZINC000905058869 691062802 /nfs/dbraw/zinc/06/28/02/691062802.db2.gz JQFUMHMOXMMIPU-DTWKUNHWSA-N 1 0 358.273 2.409 20 30 FEEDRO C=C(C)C[C@H](CO)[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000905451295 691120101 /nfs/dbraw/zinc/12/01/01/691120101.db2.gz JYUFQRMGDTUGGL-CYBMUJFWSA-N 1 0 362.289 2.140 20 30 FEEDRO N#Cc1ccc([C@@H](O)C[NH2+]CC2(n3cc(Br)cn3)CC2)cc1 ZINC000905588106 691147264 /nfs/dbraw/zinc/14/72/64/691147264.db2.gz UODSOOKLJGUOKZ-HNNXBMFYSA-N 1 0 361.243 2.330 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)N1CCC12CCN(C(=O)OC(C)(C)C)CC2 ZINC000907764693 691555860 /nfs/dbraw/zinc/55/58/60/691555860.db2.gz ZGSSDXHNNXEQBH-UHFFFAOYSA-N 1 0 351.491 2.496 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H]2Cc3cc(Cl)ccc3O2)c1C#N ZINC000535503700 694906272 /nfs/dbraw/zinc/90/62/72/694906272.db2.gz KWUPBXFIAQXQTB-HNNXBMFYSA-N 1 0 359.817 2.029 20 30 FEEDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)cnc1C#N)C2 ZINC001164815341 720087199 /nfs/dbraw/zinc/08/71/99/720087199.db2.gz YIHUUWGYOOYXIF-KBXCAEBGSA-N 1 0 361.877 2.186 20 30 FEEDRO Cc1ccc(C#N)c(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164822631 720303718 /nfs/dbraw/zinc/30/37/18/720303718.db2.gz NTDMVMAYUXPQIQ-RBUKOAKNSA-N 1 0 367.497 2.173 20 30 FEEDRO Cc1cnc(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)c(C=NO)c1 ZINC001164736931 720576062 /nfs/dbraw/zinc/57/60/62/720576062.db2.gz WAKFSBJESFPZLH-UHFFFAOYSA-N 1 0 354.458 2.053 20 30 FEEDRO COCC[N@@H+]1CCO[C@H]2CN(c3ccc(C4(C#N)CCC4)cn3)CC[C@@H]2C1 ZINC001164862200 720854675 /nfs/dbraw/zinc/85/46/75/720854675.db2.gz ZKIMBZPIMYIIHY-MJGOQNOKSA-N 1 0 370.497 2.200 20 30 FEEDRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc(C)c(C#N)cc3Cl)CC[C@H]2C1 ZINC001164852923 720889463 /nfs/dbraw/zinc/88/94/63/720889463.db2.gz AJPXSSOZMAHSMO-WMLDXEAASA-N 1 0 364.877 2.089 20 30 FEEDRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4cc(C#N)cc(Cl)n4)C[C@H]3C2)cn1 ZINC001164766561 721069125 /nfs/dbraw/zinc/06/91/25/721069125.db2.gz KUGYLIRIJBNNLI-JKSUJKDBSA-N 1 0 356.861 2.298 20 30 FEEDRO N#Cc1c[nH]c2nc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)ccc12 ZINC001164866369 721098865 /nfs/dbraw/zinc/09/88/65/721098865.db2.gz STAWTYBLMWUONA-ZWKOTPCHSA-N 1 0 374.448 2.309 20 30 FEEDRO Cc1cnc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)c(C=NO)c1 ZINC001164877039 721124205 /nfs/dbraw/zinc/12/42/05/721124205.db2.gz OFEXVUDMUYUOPJ-RBUKOAKNSA-N 1 0 367.453 2.073 20 30 FEEDRO N#Cc1cc2nc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)ccc2[nH]1 ZINC001164880678 721134364 /nfs/dbraw/zinc/13/43/64/721134364.db2.gz WZGMFVVAESZNMB-MSOLQXFVSA-N 1 0 374.448 2.309 20 30 FEEDRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ccc5[nH]c(C#N)cc5n4)C[C@H]3C2)cn1 ZINC001164771485 721187927 /nfs/dbraw/zinc/18/79/27/721187927.db2.gz QLHHQIYLPBVFJL-JKSUJKDBSA-N 1 0 361.453 2.126 20 30 FEEDRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4nc5c(cc4C#N)CCC5)C[C@H]3C2)cn1 ZINC001164762662 721199216 /nfs/dbraw/zinc/19/92/16/721199216.db2.gz DCBDZOJLMBGMJK-PKOBYXMFSA-N 1 0 362.481 2.134 20 30 FEEDRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nc5c(cc4C#N)CCC5)C[C@H]3C2)cn1 ZINC001164762655 721200946 /nfs/dbraw/zinc/20/09/46/721200946.db2.gz DCBDZOJLMBGMJK-IEBWSBKVSA-N 1 0 362.481 2.134 20 30 FEEDRO Cc1ccc(C#N)c(N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164891893 721393175 /nfs/dbraw/zinc/39/31/75/721393175.db2.gz RJMOVONTNSXJLC-FPOVZHCZSA-N 1 0 369.513 2.027 20 30 FEEDRO N#Cc1ccc(-n2ccc(NC(=O)N3C[C@@H]4CC[C@@H]([NH3+])[C@H]4C3)n2)c(F)c1 ZINC000517713918 817553384 /nfs/dbraw/zinc/55/33/84/817553384.db2.gz DZYSDPRIYLMZOW-KCQAQPDRSA-N 1 0 354.389 2.084 20 30 FEEDRO C[C@H](C(=O)NCC(F)(F)F)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000022850352 539701039 /nfs/dbraw/zinc/70/10/39/539701039.db2.gz YODMBOQIUCWWJE-CQSZACIVSA-N 1 0 368.403 2.133 20 30 FEEDRO C=CCNC(=O)NC(=O)[C@H](C)[N@H+](C)Cc1ccc(Br)cc1 ZINC000024370908 539730233 /nfs/dbraw/zinc/73/02/33/539730233.db2.gz LQOVUXAFSMPTSG-NSHDSACASA-N 1 0 354.248 2.281 20 30 FEEDRO C[NH+]1CCC(N(Cc2ccco2)S(=O)(=O)c2cccc(C#N)c2)CC1 ZINC000029455386 539854490 /nfs/dbraw/zinc/85/44/90/539854490.db2.gz WWFQHAQZVLERNF-UHFFFAOYSA-N 1 0 359.451 2.436 20 30 FEEDRO C[NH+](C)CCOc1ccc(CNC(=O)NCC#Cc2ccccc2)cc1 ZINC000045431633 540213438 /nfs/dbraw/zinc/21/34/38/540213438.db2.gz NYGZBALYRLHGMV-UHFFFAOYSA-N 1 0 351.450 2.478 20 30 FEEDRO CC1CC[NH+]([C@@H](CNS(=O)(=O)N(C)CCC#N)c2cccs2)CC1 ZINC000045797525 540228810 /nfs/dbraw/zinc/22/88/10/540228810.db2.gz OZFUNRDJWMHESE-HNNXBMFYSA-N 1 0 370.544 2.201 20 30 FEEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000045812544 540229379 /nfs/dbraw/zinc/22/93/79/540229379.db2.gz UIYDVZUVROHJHS-CHWSQXEVSA-N 1 0 358.442 2.086 20 30 FEEDRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CSCc2ccc(C#N)cc2)C1 ZINC000047777046 540328218 /nfs/dbraw/zinc/32/82/18/540328218.db2.gz HCOGZXKHUDDEFZ-SFHVURJKSA-N 1 0 361.511 2.264 20 30 FEEDRO N#Cc1ccc(OCC[NH+]2CCC(C(=O)Nc3cnccn3)CC2)cc1 ZINC000047630146 540321196 /nfs/dbraw/zinc/32/11/96/540321196.db2.gz AYQVKLKKCAQFFM-UHFFFAOYSA-N 1 0 351.410 2.078 20 30 FEEDRO C[C@@H](NC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1)c1ccc(C#N)cc1 ZINC000051761593 540443692 /nfs/dbraw/zinc/44/36/92/540443692.db2.gz AIQVHFOSYHSVPF-MRXNPFEDSA-N 1 0 369.513 2.477 20 30 FEEDRO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCC(C(=O)Nc2nccs2)CC1 ZINC000054179954 540573109 /nfs/dbraw/zinc/57/31/09/540573109.db2.gz WDEUONBEILHTQG-CQSZACIVSA-N 1 0 362.499 2.383 20 30 FEEDRO CC(C)[C@](C)(C#N)NC(=O)CN1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000055121138 540630169 /nfs/dbraw/zinc/63/01/69/540630169.db2.gz VYLZMQFKDIZKNH-FQEVSTJZSA-N 1 0 360.477 2.388 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N2CCC(C(=O)Nc3ccccc3)CC2)CC1 ZINC000057137641 540771899 /nfs/dbraw/zinc/77/18/99/540771899.db2.gz VSWHHIIBAIFNAY-UHFFFAOYSA-N 1 0 353.466 2.209 20 30 FEEDRO Cc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000057665779 540806310 /nfs/dbraw/zinc/80/63/10/540806310.db2.gz PCPCWAZYWBPXNB-GOSISDBHSA-N 1 0 356.470 2.432 20 30 FEEDRO Cc1nnc(N(C)C[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)c(C#N)c1C ZINC000328626895 223121081 /nfs/dbraw/zinc/12/10/81/223121081.db2.gz MEBULAGVRVOKHQ-MAUKXSAKSA-N 1 0 353.474 2.218 20 30 FEEDRO COCCC[N@H+](CCOC)CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000063549985 541173299 /nfs/dbraw/zinc/17/32/99/541173299.db2.gz LKMSWJQPJAJHMR-UHFFFAOYSA-N 1 0 365.499 2.422 20 30 FEEDRO Cc1cc(CNC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)on1 ZINC000064230866 541195978 /nfs/dbraw/zinc/19/59/78/541195978.db2.gz OBSMPMFPDAWJQD-UHFFFAOYSA-N 1 0 353.426 2.272 20 30 FEEDRO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N1CC[NH+](CCc2cccs2)CC1 ZINC000064352202 541202402 /nfs/dbraw/zinc/20/24/02/541202402.db2.gz VDQXKIBEBUIYLK-LPHOPBHVSA-N 1 0 362.543 2.351 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)CCc1nc(-c2cccs2)no1 ZINC000064361529 541203433 /nfs/dbraw/zinc/20/34/33/541203433.db2.gz COWHXUCUMMNIJC-UHFFFAOYSA-N 1 0 361.471 2.425 20 30 FEEDRO CCC[NH+]1CCC(N(C)C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)CC1 ZINC000066240818 541294154 /nfs/dbraw/zinc/29/41/54/541294154.db2.gz OQJUWKFVSWAPOS-UHFFFAOYSA-N 1 0 366.469 2.273 20 30 FEEDRO C[C@H](CNC(=O)c1ccc(-n2ncc(C#N)c2N)cc1)[NH+]1CCC(C)CC1 ZINC000066241319 541294701 /nfs/dbraw/zinc/29/47/01/541294701.db2.gz FMEGFUFZNUPKDJ-OAHLLOKOSA-N 1 0 366.469 2.176 20 30 FEEDRO N#Cc1ccc(N2CCC([NH2+]Cc3cnc(N4CCCC4)nc3)CC2)nc1 ZINC000067011128 541405867 /nfs/dbraw/zinc/40/58/67/541405867.db2.gz BROFOQDRLLOLRD-UHFFFAOYSA-N 1 0 363.469 2.102 20 30 FEEDRO C[NH+]1CCN(C[C@@H](NC(=O)Cc2ccc(C#N)cc2)c2ccccc2)CC1 ZINC000068023704 541539493 /nfs/dbraw/zinc/53/94/93/541539493.db2.gz IBMAPZRKOIPCSP-OAQYLSRUSA-N 1 0 362.477 2.206 20 30 FEEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(NC(N)=O)cc1 ZINC000068310430 541575035 /nfs/dbraw/zinc/57/50/35/541575035.db2.gz RMRGGPOTGHTOQR-UHFFFAOYSA-N 1 0 365.437 2.253 20 30 FEEDRO CN(C)c1cc(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)ccn1 ZINC000068310126 541575490 /nfs/dbraw/zinc/57/54/90/541575490.db2.gz CNGCJPCNMPHLPS-UHFFFAOYSA-N 1 0 351.454 2.223 20 30 FEEDRO Cc1nc(SCC(=O)NC2(C#N)CC[NH+](C)CC2)c(C#N)c(C)c1C ZINC000068432685 541591506 /nfs/dbraw/zinc/59/15/06/541591506.db2.gz CBLYLJQNUOMLNY-UHFFFAOYSA-N 1 0 357.483 2.075 20 30 FEEDRO Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000545198070 541901150 /nfs/dbraw/zinc/90/11/50/541901150.db2.gz AXDJJZXDPKTKMJ-INIZCTEOSA-N 1 0 365.441 2.149 20 30 FEEDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)NC2CCN(CC#N)CC2)C1 ZINC000073216272 541930725 /nfs/dbraw/zinc/93/07/25/541930725.db2.gz GSIDMAMBWKAUTA-MSOLQXFVSA-N 1 0 361.534 2.270 20 30 FEEDRO N#CCOc1ccc(CNC(=O)CC2([NH+]3CCOCC3)CCCC2)cc1 ZINC000073312205 541943010 /nfs/dbraw/zinc/94/30/10/541943010.db2.gz JWWLVABZHMSWRM-UHFFFAOYSA-N 1 0 357.454 2.240 20 30 FEEDRO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1CCC(C(=O)N(C)C)CC1 ZINC000073769614 541997543 /nfs/dbraw/zinc/99/75/43/541997543.db2.gz RDCIMPBPLQWDGE-NGEICVOHSA-N 1 0 362.518 2.106 20 30 FEEDRO C[C@H](NC(=O)CC[NH+]1CCN(c2ccccn2)CC1)c1cccc(C#N)c1 ZINC000074218628 542054204 /nfs/dbraw/zinc/05/42/04/542054204.db2.gz IOKHNFHWKJHLGG-KRWDZBQOSA-N 1 0 363.465 2.343 20 30 FEEDRO C[N@H+](CCC(=O)Nc1ccc(C#N)cc1)C[C@H](O)COCc1ccccc1 ZINC000074289320 542063789 /nfs/dbraw/zinc/06/37/89/542063789.db2.gz JGAFGQFKSILDDE-FQEVSTJZSA-N 1 0 367.449 2.396 20 30 FEEDRO Cc1ccn2ncc(C(=O)N(CC[NH+](C)C)Cc3ccc(C#N)cc3)c2n1 ZINC000074475646 542087140 /nfs/dbraw/zinc/08/71/40/542087140.db2.gz RFRJBLZRBZGYMO-UHFFFAOYSA-N 1 0 362.437 2.113 20 30 FEEDRO C=CCc1ccccc1OC[C@@H](O)CN1CC[NH+](CC2CCOCC2)CC1 ZINC000077176304 542351045 /nfs/dbraw/zinc/35/10/45/542351045.db2.gz ZNMCWZYAYIDOHA-NRFANRHFSA-N 1 0 374.525 2.199 20 30 FEEDRO Cn1c(Sc2c(C#N)nnc3ccccc32)nnc1[C@@H]1CCC[NH2+]C1 ZINC000077225496 542355963 /nfs/dbraw/zinc/35/59/63/542355963.db2.gz IRFOSOCOSLFHJY-LLVKDONJSA-N 1 0 351.439 2.248 20 30 FEEDRO C#CCOc1cc(F)ccc1NC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000078620006 542472482 /nfs/dbraw/zinc/47/24/82/542472482.db2.gz HGZCBTAJTRKQSU-HNNXBMFYSA-N 1 0 361.417 2.024 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)NCC(C)(C)N1CC[NH+](C)CC1 ZINC000079138094 542502829 /nfs/dbraw/zinc/50/28/29/542502829.db2.gz DBZVNHIDEBCHPR-UHFFFAOYSA-N 1 0 350.532 2.472 20 30 FEEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)NCC(C)(C)N1CC[NH+](C)CC1 ZINC000079593612 542529746 /nfs/dbraw/zinc/52/97/46/542529746.db2.gz LZWKZSVCNJLBEH-UHFFFAOYSA-N 1 0 374.529 2.419 20 30 FEEDRO COCCC[N@@H+]1CCCN(CC(=O)Nc2sc(C)c(C)c2C#N)CC1 ZINC000079460455 542520782 /nfs/dbraw/zinc/52/07/82/542520782.db2.gz OREZTUJBMYSXNO-UHFFFAOYSA-N 1 0 364.515 2.219 20 30 FEEDRO CC[NH+]1CCN(c2ccc(CNc3nnc(C)c(C)c3C#N)cn2)CC1 ZINC000079928576 542551601 /nfs/dbraw/zinc/55/16/01/542551601.db2.gz DXWVAIGISWIZPF-UHFFFAOYSA-N 1 0 351.458 2.114 20 30 FEEDRO C[C@H](C#N)CSc1ccccc1NC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000081366534 542651255 /nfs/dbraw/zinc/65/12/55/542651255.db2.gz PNCSKAGKQCRMEK-CABCVRRESA-N 1 0 374.510 2.287 20 30 FEEDRO C[NH+]=C(NCC(=O)N1CCc2ccccc21)NCc1ncc(C(C)(C)C)o1 ZINC000081756573 542675793 /nfs/dbraw/zinc/67/57/93/542675793.db2.gz RWZWUBMVUKDTEV-UHFFFAOYSA-N 1 0 369.469 2.226 20 30 FEEDRO Cc1cccc(N(CCC#N)C(=O)C[NH2+]C2(C(N)=O)CCCCC2)c1C ZINC000088545318 542752585 /nfs/dbraw/zinc/75/25/85/542752585.db2.gz DOGPLCPOUQOIJX-UHFFFAOYSA-N 1 0 356.470 2.328 20 30 FEEDRO COc1ccc(NC(=[NH2+])NCc2cccc(CN3CCOCC3)c2)cc1 ZINC000104164607 543125252 /nfs/dbraw/zinc/12/52/52/543125252.db2.gz LSJQIJWSFQNSBZ-UHFFFAOYSA-N 1 0 354.454 2.454 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000104800959 543145073 /nfs/dbraw/zinc/14/50/73/543145073.db2.gz HENOTODHSXAOCY-OAHLLOKOSA-N 1 0 364.515 2.033 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@H](C)NC(=O)OCc2ccccc2)CC1 ZINC000106039136 543186791 /nfs/dbraw/zinc/18/67/91/543186791.db2.gz BEEFOGKFCISRFT-INIZCTEOSA-N 1 0 359.470 2.458 20 30 FEEDRO CC1CC[NH+]([C@@H](CNC(=O)N2CCO[C@H](C#N)C2)c2ccccc2)CC1 ZINC000106334401 543224060 /nfs/dbraw/zinc/22/40/60/543224060.db2.gz OHLITNYIWHTRMY-MOPGFXCFSA-N 1 0 356.470 2.394 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCN(c3ccccc3O)CC2)CC1 ZINC000106341315 543224771 /nfs/dbraw/zinc/22/47/71/543224771.db2.gz GUUKZNXLVDXOHM-UHFFFAOYSA-N 1 0 358.486 2.264 20 30 FEEDRO C=CCN(CCCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCS(=O)(=O)C1 ZINC000108870488 543306488 /nfs/dbraw/zinc/30/64/88/543306488.db2.gz HDHZWCASXPVPGV-HNNXBMFYSA-N 1 0 354.428 2.039 20 30 FEEDRO N#CC1(C(=O)Nc2cccc(N3CC[NH+](CC4CC4)CC3)c2)CCOCC1 ZINC000109141253 543315874 /nfs/dbraw/zinc/31/58/74/543315874.db2.gz MEHSVJVWNZLRQS-UHFFFAOYSA-N 1 0 368.481 2.477 20 30 FEEDRO CC(C)(O)C[NH+]1CCN(C(=O)CCCCOc2cccc(C#N)c2)CC1 ZINC000110742906 543367113 /nfs/dbraw/zinc/36/71/13/543367113.db2.gz PPDGANOXYQGLDI-UHFFFAOYSA-N 1 0 359.470 2.022 20 30 FEEDRO C[C@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCC(C2OCCO2)CC1 ZINC000110450407 543358269 /nfs/dbraw/zinc/35/82/69/543358269.db2.gz FEZBFTJTHCCCLH-MRXNPFEDSA-N 1 0 357.454 2.407 20 30 FEEDRO C=CCOc1ccccc1CNC(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000111885952 543423022 /nfs/dbraw/zinc/42/30/22/543423022.db2.gz GBAMEQTXQCNUGB-GOSISDBHSA-N 1 0 361.486 2.143 20 30 FEEDRO CCC[NH+]1CCC(N2CCN(C(=O)c3ccccc3OCC#N)CC2)CC1 ZINC000112325514 543441559 /nfs/dbraw/zinc/44/15/59/543441559.db2.gz MZALLXKDGYIKEO-UHFFFAOYSA-N 1 0 370.497 2.221 20 30 FEEDRO C[C@H]1CCC[N@H+](CCNC(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)C1 ZINC000114587394 543524760 /nfs/dbraw/zinc/52/47/60/543524760.db2.gz PWVZQKLQHQLJRN-AZUAARDMSA-N 1 0 369.513 2.138 20 30 FEEDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)Cc2ccc(OCC#N)cc2)[C@H](C)C1 ZINC000115270833 543557217 /nfs/dbraw/zinc/55/72/17/543557217.db2.gz GKCQRBNOWHIEPL-XLIONFOSSA-N 1 0 373.497 2.385 20 30 FEEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000118100867 543644261 /nfs/dbraw/zinc/64/42/61/543644261.db2.gz ICSFLRSNPMUGLJ-CZUORRHYSA-N 1 0 374.510 2.476 20 30 FEEDRO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccccc1SCCC#N)C1CC1 ZINC000118101586 543644486 /nfs/dbraw/zinc/64/44/86/543644486.db2.gz YWCRZSBWPHSSFF-HNNXBMFYSA-N 1 0 360.483 2.087 20 30 FEEDRO COCCOC1CC[NH+]([C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)CC1 ZINC000116885041 543618212 /nfs/dbraw/zinc/61/82/12/543618212.db2.gz UUYQIMLSJKOGIO-OHTSDLOESA-N 1 0 365.518 2.433 20 30 FEEDRO C=CCCC[N@@H+](C)CC(=O)Nc1ccc(C)c(S(=O)(=O)N(C)C)c1 ZINC000121145636 543689892 /nfs/dbraw/zinc/68/98/92/543689892.db2.gz CNEMILULSILHHM-UHFFFAOYSA-N 1 0 353.488 2.082 20 30 FEEDRO C=CCCOCCNC(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000121198667 543690626 /nfs/dbraw/zinc/69/06/26/543690626.db2.gz HWWWZZIVOKOBAJ-UHFFFAOYSA-N 1 0 361.486 2.035 20 30 FEEDRO CN1c2ccccc2N(C)C1=C1C(=N)N(C2CC[NH+](C3CC3)CC2)CC1=O ZINC000119260371 543665742 /nfs/dbraw/zinc/66/57/42/543665742.db2.gz IDSYGKQHPIMXJO-UHFFFAOYSA-N 1 0 365.481 2.273 20 30 FEEDRO CO[C@@H](C)c1cccc(NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C)c1 ZINC000122172370 543704358 /nfs/dbraw/zinc/70/43/58/543704358.db2.gz JZGKVXACFGCWNR-HNNXBMFYSA-N 1 0 360.458 2.026 20 30 FEEDRO N#Cc1ccc2ncc(C[NH2+]CCCNC(=O)c3ccc(F)cc3)n2c1 ZINC000123711740 543778643 /nfs/dbraw/zinc/77/86/43/543778643.db2.gz DMHKSHRHKIRONL-UHFFFAOYSA-N 1 0 351.385 2.255 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc3oc(CC)nc3c2)CC1 ZINC000124543969 543828437 /nfs/dbraw/zinc/82/84/37/543828437.db2.gz LQJLCQJQXVSXMH-UHFFFAOYSA-N 1 0 370.453 2.485 20 30 FEEDRO C[C@]1(O)CCC[N@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC000124616585 543833286 /nfs/dbraw/zinc/83/32/86/543833286.db2.gz MYDNEIXMIPFRIP-KRWDZBQOSA-N 1 0 354.372 2.020 20 30 FEEDRO C[C@H]1C[C@H](NS(=O)(=O)c2ccccc2C#N)C[N@@H+]1Cc1ccccc1 ZINC000126359016 543932116 /nfs/dbraw/zinc/93/21/16/543932116.db2.gz IFBQSXGNZZIPQH-YJBOKZPZSA-N 1 0 355.463 2.500 20 30 FEEDRO CC[N@H+](C)CCNC(=O)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000126365951 543932365 /nfs/dbraw/zinc/93/23/65/543932365.db2.gz DYDQCGBQNNTDME-UHFFFAOYSA-N 1 0 366.421 2.357 20 30 FEEDRO C=C(C)CNC(=O)C(=O)Nc1cc(Cl)ccc1N1CC[NH+](CC)CC1 ZINC000126815896 543958231 /nfs/dbraw/zinc/95/82/31/543958231.db2.gz ZKUPYBNXASYUPQ-UHFFFAOYSA-N 1 0 364.877 2.113 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)CCc2cc(OC)cc(OC)c2)c1C#N ZINC000128200080 544038053 /nfs/dbraw/zinc/03/80/53/544038053.db2.gz PKAJGEQMXBNBBA-UHFFFAOYSA-N 1 0 371.441 2.022 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC[C@@H]1c1nncn1C)C(C)C ZINC000130077207 544137960 /nfs/dbraw/zinc/13/79/60/544137960.db2.gz CXOCIXTYAUYOMU-IAGOWNOFSA-N 1 0 360.506 2.360 20 30 FEEDRO N#CCCN(C(=O)C[NH2+][C@@H]1CCCC[C@@H]1C(N)=O)c1cccc(Cl)c1 ZINC000131166497 544179277 /nfs/dbraw/zinc/17/92/77/544179277.db2.gz MAXWHDSRQWULPR-JKSUJKDBSA-N 1 0 362.861 2.220 20 30 FEEDRO CC(C)(C)[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)CC(N)=O ZINC000133996892 544290785 /nfs/dbraw/zinc/29/07/85/544290785.db2.gz OMTSFKRVDVPIOA-UHFFFAOYSA-N 1 0 362.499 2.413 20 30 FEEDRO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccc(C#N)cc1F)c1ccc(F)cc1 ZINC000136025154 544365224 /nfs/dbraw/zinc/36/52/24/544365224.db2.gz IKAYIIRTOFJRKH-KRWDZBQOSA-N 1 0 372.375 2.194 20 30 FEEDRO CC[N@H+](C)Cc1cccc(CNC(=O)C(=O)Nc2ccc(C#N)cc2F)c1 ZINC000136348382 544371526 /nfs/dbraw/zinc/37/15/26/544371526.db2.gz MAKRSHULALJRIA-UHFFFAOYSA-N 1 0 368.412 2.404 20 30 FEEDRO C=CCc1ccc(OCC(=O)NC2CC[NH+](CCOC)CC2)c(OC)c1 ZINC000141536418 544413394 /nfs/dbraw/zinc/41/33/94/544413394.db2.gz KLODGZTUUHFKHP-UHFFFAOYSA-N 1 0 362.470 2.030 20 30 FEEDRO CC[C@@H]1CCCCC[N@@H+]1CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 ZINC000150737439 544466048 /nfs/dbraw/zinc/46/60/48/544466048.db2.gz ZRJLXLUYFSELRT-MRXNPFEDSA-N 1 0 359.474 2.158 20 30 FEEDRO CC[NH+](CC)[C@H](CNC(=O)CNC(=O)c1ccc(C#N)cc1)CC(C)C ZINC000151364628 544533404 /nfs/dbraw/zinc/53/34/04/544533404.db2.gz NCZGPRPGXAZTCB-SFHVURJKSA-N 1 0 358.486 2.161 20 30 FEEDRO C=C(C)COc1cc(C[NH2+][C@H]2CCc3nc(COC)nn3C2)ccc1OC ZINC000151520906 544551955 /nfs/dbraw/zinc/55/19/55/544551955.db2.gz QNUSNKOTNAWKDN-INIZCTEOSA-N 1 0 372.469 2.493 20 30 FEEDRO C[C@@H]1C[C@H](CNS(=O)(=O)c2ccc(C#N)nc2)C[N@@H+]1Cc1ccccc1 ZINC000152001416 544603990 /nfs/dbraw/zinc/60/39/90/544603990.db2.gz PJPRNBVXXODUSS-NVXWUHKLSA-N 1 0 370.478 2.142 20 30 FEEDRO CN1CCN([C@H]2CCCC[N@H+](CCCOc3ccc(C#N)cc3)C2)CC1 ZINC000152296761 544635376 /nfs/dbraw/zinc/63/53/76/544635376.db2.gz ACWRVIFLPSRTPF-FQEVSTJZSA-N 1 0 356.514 2.429 20 30 FEEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccnc(-n2cccn2)c1 ZINC000152128875 544615812 /nfs/dbraw/zinc/61/58/12/544615812.db2.gz KMNHUXIJMQIISA-UHFFFAOYSA-N 1 0 374.448 2.343 20 30 FEEDRO CCc1ccc([C@H](C)NC(=O)C[N@H+](C)CCCc2[nH]nc(N)c2C#N)cc1 ZINC000153295438 544757195 /nfs/dbraw/zinc/75/71/95/544757195.db2.gz FVCQTBBDTYOISC-AWEZNQCLSA-N 1 0 368.485 2.168 20 30 FEEDRO Cc1ccc(C)c(NC(=O)[C@H](C)[N@H+](C)CCCc2[nH]nc(N)c2C#N)c1 ZINC000153320302 544760003 /nfs/dbraw/zinc/76/00/03/544760003.db2.gz JSXDDRZCKOUKQT-AWEZNQCLSA-N 1 0 354.458 2.372 20 30 FEEDRO C[C@@H](C(=O)Nc1ccc(F)c(F)c1)[N@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000153326113 544761112 /nfs/dbraw/zinc/76/11/12/544761112.db2.gz OYXQQCUWMYCTAW-JTQLQIEISA-N 1 0 362.384 2.033 20 30 FEEDRO C[NH+]=C(NC[C@H](C)Sc1ccccc1)N[C@@H]1CCc2nc(C)nn2C1 ZINC000153397172 544769902 /nfs/dbraw/zinc/76/99/02/544769902.db2.gz IVYLSPNSBXGZMO-DZGCQCFKSA-N 1 0 358.515 2.247 20 30 FEEDRO CS(=O)(=O)N[C@@H]1CCC[C@@H]1C[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000154331770 544892980 /nfs/dbraw/zinc/89/29/80/544892980.db2.gz LJCRWDVLHLTHIA-SJLPKXTDSA-N 1 0 365.499 2.177 20 30 FEEDRO C[C@H]([NH3+])C1CCN(S(=O)(=O)c2cc(Br)cc(C#N)c2)CC1 ZINC000178923499 327616233 /nfs/dbraw/zinc/61/62/33/327616233.db2.gz QZCBERHXYCONRJ-JTQLQIEISA-N 1 0 372.288 2.069 20 30 FEEDRO CC(C)[C@@H](C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)N1CCOCC1 ZINC000180039133 327669055 /nfs/dbraw/zinc/66/90/55/327669055.db2.gz ZVLQLFQWXNIJCB-HXUWFJFHSA-N 1 0 367.497 2.405 20 30 FEEDRO Cc1c(C#N)cccc1NC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000189400315 328145464 /nfs/dbraw/zinc/14/54/64/328145464.db2.gz GCQOLDXIVBULTK-QGZVFWFLSA-N 1 0 354.454 2.282 20 30 FEEDRO CCOC(=O)C1CCC([NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 ZINC000190838032 328235226 /nfs/dbraw/zinc/23/52/26/328235226.db2.gz IZOSAQZEXGWAIQ-ACBHZAAOSA-N 1 0 369.465 2.371 20 30 FEEDRO C[C@@H](C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000191083229 328249338 /nfs/dbraw/zinc/24/93/38/328249338.db2.gz GSYFQKHWYPMIJD-IUVQAAGXSA-N 1 0 368.481 2.037 20 30 FEEDRO C[C@H](C(=O)Nc1cccc(F)c1)N1CCN(Cc2cc(C#N)n(C)c2)CC1 ZINC000191249691 328256498 /nfs/dbraw/zinc/25/64/98/328256498.db2.gz KIEHFRJTZWRFBD-OAHLLOKOSA-N 1 0 369.444 2.181 20 30 FEEDRO CCCC[C@H]1CCC[C@@H]1[NH2+]CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 ZINC000191831120 328284135 /nfs/dbraw/zinc/28/41/35/328284135.db2.gz NJZBSJXCVDMQNG-IRXDYDNUSA-N 1 0 373.501 2.452 20 30 FEEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)NCCCCCCO)CC2)cc1 ZINC000192719829 328334826 /nfs/dbraw/zinc/33/48/26/328334826.db2.gz ULJDKLRZGGFWHK-UHFFFAOYSA-N 1 0 358.486 2.328 20 30 FEEDRO COc1cccc2c1CC[N@H+](C[C@@H](O)COc1ccc(C#N)cc1)CC2 ZINC000193708995 328390890 /nfs/dbraw/zinc/39/08/90/328390890.db2.gz ARYRSILBBGHHJG-GOSISDBHSA-N 1 0 352.434 2.407 20 30 FEEDRO N#Cc1ccc(C[N@H+]2CCCN([C@H](C(N)=O)c3ccc(F)cc3)CC2)cc1 ZINC000022136708 324397220 /nfs/dbraw/zinc/39/72/20/324397220.db2.gz XKRFNCQTEXDUHC-FQEVSTJZSA-N 1 0 366.440 2.432 20 30 FEEDRO N#Cc1ccc(OC[C@H](O)CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000022457938 324398818 /nfs/dbraw/zinc/39/88/18/324398818.db2.gz SRGCIWCYVUWOQC-HXUWFJFHSA-N 1 0 351.450 2.116 20 30 FEEDRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)c2cc(C#N)cn2C)c1 ZINC000081027629 325155208 /nfs/dbraw/zinc/15/52/08/325155208.db2.gz HWTABNNEJLUFGH-UHFFFAOYSA-N 1 0 367.453 2.221 20 30 FEEDRO C[C@@H](Oc1ccccc1C#N)C(=O)NCCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000083025531 325210623 /nfs/dbraw/zinc/21/06/23/325210623.db2.gz UGYCCMUCAQFKNL-IXDOHACOSA-N 1 0 359.470 2.331 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@H]2C[C@@H]2c2cccc(F)c2F)c1C#N ZINC000089663691 325326169 /nfs/dbraw/zinc/32/61/69/325326169.db2.gz CDNQHEFTNIIPMK-NEPJUHHUSA-N 1 0 359.380 2.454 20 30 FEEDRO Cc1ccc([C@H](CNC(=O)C(=O)Nc2ccc(F)c(C#N)c2)[NH+](C)C)cc1 ZINC000102964369 325502723 /nfs/dbraw/zinc/50/27/23/325502723.db2.gz CKNWDKDZHFVXKL-SFHVURJKSA-N 1 0 368.412 2.363 20 30 FEEDRO C[NH+](C)CCN(Cc1ccccc1)S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000103152700 325508724 /nfs/dbraw/zinc/50/87/24/325508724.db2.gz FORBPQIXSXDUDG-UHFFFAOYSA-N 1 0 361.442 2.450 20 30 FEEDRO C[NH+](C)CC[C@@H](NC(=O)N1CCN(c2ncccc2C#N)CC1)C(C)(C)C ZINC000116438502 326014897 /nfs/dbraw/zinc/01/48/97/326014897.db2.gz KANYXARQSQRNIV-QGZVFWFLSA-N 1 0 372.517 2.151 20 30 FEEDRO CCN1CC[NH+](C[C@@H](C)CNC(=O)N[C@H](C)c2ccc(C#N)cc2)CC1 ZINC000118810784 326104191 /nfs/dbraw/zinc/10/41/91/326104191.db2.gz DWSSAPCOVRQRHG-DLBZAZTESA-N 1 0 357.502 2.192 20 30 FEEDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000119737900 326193064 /nfs/dbraw/zinc/19/30/64/326193064.db2.gz BQLFPWGLVRFIOC-CYBMUJFWSA-N 1 0 362.861 2.244 20 30 FEEDRO N#Cc1cccc(NCC(=O)N2CC[C@@H](OCC[NH+]3CCCCC3)C2)c1 ZINC000119786886 326198291 /nfs/dbraw/zinc/19/82/91/326198291.db2.gz BBTSNZUOYQBBBP-LJQANCHMSA-N 1 0 356.470 2.074 20 30 FEEDRO C[C@@H](NC(=O)c1ccc(C#N)[nH]1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000121085454 326312286 /nfs/dbraw/zinc/31/22/86/326312286.db2.gz YICKPGRETRBUDP-CYBMUJFWSA-N 1 0 355.417 2.268 20 30 FEEDRO C[C@@H]1CCC[N@@H+]1C1CCN(C(=O)C(=O)Nc2ccc(F)c(C#N)c2)CC1 ZINC000121685472 326358023 /nfs/dbraw/zinc/35/80/23/326358023.db2.gz FLYKFZNORKTYPC-CYBMUJFWSA-N 1 0 358.417 2.111 20 30 FEEDRO C[NH+](C)Cc1ccc(CNS(=O)(=O)c2ccc(C#N)cc2F)cc1F ZINC000134893529 326633070 /nfs/dbraw/zinc/63/30/70/326633070.db2.gz ONSOIGYLRFNEDQ-UHFFFAOYSA-N 1 0 365.405 2.377 20 30 FEEDRO N#Cc1ccc(OCC(=O)N2CC[C@@H](OCC[NH+]3CCCCC3)C2)cc1 ZINC000159588374 326936024 /nfs/dbraw/zinc/93/60/24/326936024.db2.gz PAMQMIYZMYQXPE-LJQANCHMSA-N 1 0 357.454 2.040 20 30 FEEDRO C[C@@H](CNS(=O)(=O)Cc1cc(C#N)ccc1F)C[NH+]1CCCCC1 ZINC000160959108 326983212 /nfs/dbraw/zinc/98/32/12/326983212.db2.gz MNDGOFXAJSDWHG-AWEZNQCLSA-N 1 0 353.463 2.239 20 30 FEEDRO CC[C@H]1CCCC[N@@H+]1CCNS(=O)(=O)Cc1cc(C#N)ccc1F ZINC000162776300 327034456 /nfs/dbraw/zinc/03/44/56/327034456.db2.gz CQOMEOSUYZLWDV-INIZCTEOSA-N 1 0 353.463 2.381 20 30 FEEDRO CC(C)[N@H+](C)CCNC(=O)C(=O)Nc1nc(-c2cccc(C#N)c2)cs1 ZINC000164137485 327065243 /nfs/dbraw/zinc/06/52/43/327065243.db2.gz GEOQZNHONBWTQE-UHFFFAOYSA-N 1 0 371.466 2.077 20 30 FEEDRO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)Nc1ccc([N+](=O)[O-])c(C#N)c1 ZINC000166743065 327082734 /nfs/dbraw/zinc/08/27/34/327082734.db2.gz HDFULOFHJLCIDK-OAHLLOKOSA-N 1 0 366.425 2.484 20 30 FEEDRO Cc1nc(C(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)ccc1C#N ZINC000170924479 327107700 /nfs/dbraw/zinc/10/77/00/327107700.db2.gz IIIQQXVUMILYSI-UHFFFAOYSA-N 1 0 364.449 2.148 20 30 FEEDRO Cc1cccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)c1C#N ZINC000173571028 327267530 /nfs/dbraw/zinc/26/75/30/327267530.db2.gz NCTVTCOMQDTUHP-MRXNPFEDSA-N 1 0 354.454 2.186 20 30 FEEDRO C[NH+](C)CCOc1ccccc1C(=O)NCCOc1ccc(C#N)cc1 ZINC000173892464 327292104 /nfs/dbraw/zinc/29/21/04/327292104.db2.gz LEMYCVYMJWUABJ-UHFFFAOYSA-N 1 0 353.422 2.307 20 30 FEEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[NH2+]C2(CO)CCCC2)c1C#N ZINC000175997620 327426916 /nfs/dbraw/zinc/42/69/16/327426916.db2.gz GWPNIFWMLSTRTL-UHFFFAOYSA-N 1 0 370.453 2.451 20 30 FEEDRO CCCNC(=O)CCCC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000264195912 328998663 /nfs/dbraw/zinc/99/86/63/328998663.db2.gz RPUWDEFRZXJVDC-UHFFFAOYSA-N 1 0 358.486 2.145 20 30 FEEDRO N#Cc1ccc(SCC(=O)NCC2([NH+]3CCCC3)CCOCC2)cc1 ZINC000264274426 329006828 /nfs/dbraw/zinc/00/68/28/329006828.db2.gz OAILDLQSEGQXCR-UHFFFAOYSA-N 1 0 359.495 2.412 20 30 FEEDRO C[NH+](C)CCOc1ccccc1N1CCN(c2ccc(C#N)cn2)CC1 ZINC000265550631 329138001 /nfs/dbraw/zinc/13/80/01/329138001.db2.gz GTFXGMAPUJAQPE-UHFFFAOYSA-N 1 0 351.454 2.220 20 30 FEEDRO CCOC(=O)CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)c1cc(C#N)cs1 ZINC000267760311 329355570 /nfs/dbraw/zinc/35/55/70/329355570.db2.gz QWXUKIBGJRUUPR-OAHLLOKOSA-N 1 0 363.483 2.499 20 30 FEEDRO CCOC(=O)CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)c1cc(C#N)cs1 ZINC000267760308 329355679 /nfs/dbraw/zinc/35/56/79/329355679.db2.gz QWXUKIBGJRUUPR-HNNXBMFYSA-N 1 0 363.483 2.499 20 30 FEEDRO CS[C@H]1CN(CC(=O)Nc2sccc2C#N)C[C@H]1[NH+]1CCCC1 ZINC000274046071 329910823 /nfs/dbraw/zinc/91/08/23/329910823.db2.gz NQMHUBFUEHUQGG-KGLIPLIRSA-N 1 0 350.513 2.070 20 30 FEEDRO COC(=O)COc1ccc([C@H](C)[NH2+]CC(=O)Nc2sccc2C#N)cc1 ZINC000274306473 329936505 /nfs/dbraw/zinc/93/65/05/329936505.db2.gz AXOSKNFXPKIJOL-LBPRGKRZSA-N 1 0 373.434 2.461 20 30 FEEDRO CS[C@H]1CN(S(=O)(=O)c2cccc(C)c2C#N)C[C@@H]1[NH+]1CCCC1 ZINC000274744646 329976227 /nfs/dbraw/zinc/97/62/27/329976227.db2.gz GLLMWHVTVLFDRM-HOTGVXAUSA-N 1 0 365.524 2.067 20 30 FEEDRO CO[C@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000275171848 330018159 /nfs/dbraw/zinc/01/81/59/330018159.db2.gz BDFJXNXYZBPBCM-SJORKVTESA-N 1 0 353.426 2.230 20 30 FEEDRO Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1[NH2+]CCC(=O)Nc1ccc(C#N)cc1 ZINC000275266651 330028626 /nfs/dbraw/zinc/02/86/26/330028626.db2.gz ISOVIOMDOGJSBH-PXNSSMCTSA-N 1 0 367.453 2.357 20 30 FEEDRO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1cc(C#N)ccc1Cl ZINC000276176184 330126451 /nfs/dbraw/zinc/12/64/51/330126451.db2.gz LOYFBUNPEURHOX-UONOGXRCSA-N 1 0 360.845 2.235 20 30 FEEDRO CCN(CCC[NH+]1CCCC1)C(=O)C(=O)Nc1ccc(C#N)cc1Cl ZINC000276293917 330137976 /nfs/dbraw/zinc/13/79/76/330137976.db2.gz JQPDECDXVFCELI-UHFFFAOYSA-N 1 0 362.861 2.485 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)NCc2cc(Br)ccc2O)CC1 ZINC000804733645 674299014 /nfs/dbraw/zinc/29/90/14/674299014.db2.gz WTYRTCALHMMNAC-UHFFFAOYSA-N 1 0 351.244 2.116 20 30 FEEDRO CCOC(=O)C1CCN(C(=O)C[C@H](C)[NH2+]CC(C)(C)CCC#N)CC1 ZINC000554067394 674302298 /nfs/dbraw/zinc/30/22/98/674302298.db2.gz LZRDCZWNPLAYAK-HNNXBMFYSA-N 1 0 351.491 2.486 20 30 FEEDRO CC[C@H](CO)[NH+]1CCN(Cc2ccc(Br)cc2C#N)CC1 ZINC000554237760 674309205 /nfs/dbraw/zinc/30/92/05/674309205.db2.gz DLKQBWVBEUQBLS-MRXNPFEDSA-N 1 0 352.276 2.209 20 30 FEEDRO COCCO[C@@H]1COCC[C@H]1[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC000555104469 674347709 /nfs/dbraw/zinc/34/77/09/674347709.db2.gz ZBATUAMVHOUANW-HZPDHXFCSA-N 1 0 358.360 2.487 20 30 FEEDRO CCC([NH3+])(CC)CNS(=O)(=O)c1cccc(Br)c1C#N ZINC000420450105 559487869 /nfs/dbraw/zinc/48/78/69/559487869.db2.gz KMJQOOZZTMZAMX-UHFFFAOYSA-N 1 0 360.277 2.117 20 30 FEEDRO N#Cc1cccc(OCCC[N@H+]2CCCC[C@@H]2C(=O)N2CCOCC2)c1 ZINC000156047695 545594973 /nfs/dbraw/zinc/59/49/73/545594973.db2.gz WXKLHPXXJQSZLN-LJQANCHMSA-N 1 0 357.454 2.040 20 30 FEEDRO C[N@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)C1CCC(CO)CC1 ZINC000156278302 545613511 /nfs/dbraw/zinc/61/35/11/545613511.db2.gz KCKCZXLJTGJMTH-UHFFFAOYSA-N 1 0 367.453 2.165 20 30 FEEDRO CC(=O)N1CC[C@@H](C[N@@H+](C)[C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1 ZINC000156358399 545621821 /nfs/dbraw/zinc/62/18/21/545621821.db2.gz CFTLPDXSNCUGMX-RDJZCZTQSA-N 1 0 374.460 2.261 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cc(F)c(OC)cc2F)CC1 ZINC000157439719 545741517 /nfs/dbraw/zinc/74/15/17/545741517.db2.gz UPTXDGPYVQFKSH-UHFFFAOYSA-N 1 0 367.396 2.069 20 30 FEEDRO N#Cc1cc(NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)ccc1[N+](=O)[O-] ZINC000157655407 545766887 /nfs/dbraw/zinc/76/68/87/545766887.db2.gz RJNSFMVMRLWNJJ-GOSISDBHSA-N 1 0 352.394 2.298 20 30 FEEDRO C[NH+]=C(NCC(=O)Nc1cccc(F)c1)N1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000160117631 546008557 /nfs/dbraw/zinc/00/85/57/546008557.db2.gz MJHCIKXUTBXNIU-WMLDXEAASA-N 1 0 372.448 2.119 20 30 FEEDRO CCC(=O)N1CC[C@@H](NC(NCc2csc(-c3ccccc3)n2)=[NH+]C)C1 ZINC000161224512 546111821 /nfs/dbraw/zinc/11/18/21/546111821.db2.gz BATSICISVVOMTA-OAHLLOKOSA-N 1 0 371.510 2.486 20 30 FEEDRO N#CCc1ccc(OC[C@@H](O)C[NH+]2CCC([C@@H](O)C(F)(F)F)CC2)cc1 ZINC000161598858 546131623 /nfs/dbraw/zinc/13/16/23/546131623.db2.gz ISMPWFKFDHJNAA-DOTOQJQBSA-N 1 0 372.387 2.128 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1cc(N2CCCC2=O)ccc1F ZINC000161771365 546134562 /nfs/dbraw/zinc/13/45/62/546134562.db2.gz QFQIBOMLXPPWSY-UHFFFAOYSA-N 1 0 360.433 2.260 20 30 FEEDRO CCC(CC)[N@H+](CC(=O)N1CCN(c2oc(C)nc2C#N)CC1)C1CC1 ZINC000165372831 546153575 /nfs/dbraw/zinc/15/35/75/546153575.db2.gz YUSGQHWJOYIFBV-UHFFFAOYSA-N 1 0 359.474 2.156 20 30 FEEDRO C#CCNC(=O)[C@@H](C)Nc1ccc(NC(=O)C[NH+]2CCCCCCC2)cc1 ZINC000171121781 546191640 /nfs/dbraw/zinc/19/16/40/546191640.db2.gz UIXRLOFJXOMAEX-QGZVFWFLSA-N 1 0 370.497 2.441 20 30 FEEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1nnc(CC)[nH]1 ZINC000479206786 561184750 /nfs/dbraw/zinc/18/47/50/561184750.db2.gz FPMQCBLXHTYPJN-UHFFFAOYSA-N 1 0 361.519 2.465 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N(C)Cc2ccc(C(=O)NC)cc2)CC1 ZINC000171560902 546213712 /nfs/dbraw/zinc/21/37/12/546213712.db2.gz FPBGJRFVPYKKNF-UHFFFAOYSA-N 1 0 358.486 2.228 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)CNC(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000171566271 546214575 /nfs/dbraw/zinc/21/45/75/546214575.db2.gz JYIPBRJBIVTQSB-UHFFFAOYSA-N 1 0 357.498 2.481 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCC[C@@H](C2OCCO2)C1)C(C)C ZINC000171628346 546215727 /nfs/dbraw/zinc/21/57/27/546215727.db2.gz VNWNXUNJEVEZIF-MSOLQXFVSA-N 1 0 365.518 2.480 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)NCc2ccc(N3CCCC3=O)cc2)CC1 ZINC000171704652 546219025 /nfs/dbraw/zinc/21/90/25/546219025.db2.gz BLGPKWUDGATHFJ-UHFFFAOYSA-N 1 0 356.470 2.263 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H](C)c2ccc(-n3cncn3)cc2)CC1 ZINC000171702277 546219827 /nfs/dbraw/zinc/21/98/27/546219827.db2.gz SPQZAJGDXKTJLV-HNNXBMFYSA-N 1 0 354.458 2.278 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)CN2C(=S)N=NC2c2cccs2)CC1 ZINC000171720161 546220846 /nfs/dbraw/zinc/22/08/46/546220846.db2.gz JBGCNCLJGIRLNK-UHFFFAOYSA-N 1 0 363.512 2.062 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N2C[C@H](C(=O)NCCCC)CC[C@@H]2C)CC1 ZINC000171741971 546223721 /nfs/dbraw/zinc/22/37/21/546223721.db2.gz APVIWSJFTAGBLW-DLBZAZTESA-N 1 0 364.534 2.363 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)c2cnn(Cc3ccc(OC)cc3)c2)CC1 ZINC000171930205 546231007 /nfs/dbraw/zinc/23/10/07/546231007.db2.gz KWNDLMQJDCSXHQ-UHFFFAOYSA-N 1 0 354.454 2.320 20 30 FEEDRO C=CC[C@@H](CO)C[NH2+][C@@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479403110 561189045 /nfs/dbraw/zinc/18/90/45/561189045.db2.gz XTBHRMVMSFCKGR-VHSXEESVSA-N 1 0 367.298 2.476 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)CC1 ZINC000173510737 546283079 /nfs/dbraw/zinc/28/30/79/546283079.db2.gz QHVMFCVQGHWGGU-LJQANCHMSA-N 1 0 353.510 2.455 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N[C@H](C)c2nc(-c3cccc(OC)c3)no2)CC1 ZINC000174638620 546301066 /nfs/dbraw/zinc/30/10/66/546301066.db2.gz WWCCAJGJXMOFES-CQSZACIVSA-N 1 0 368.437 2.268 20 30 FEEDRO C=CCc1ccc(OCC(=O)NC[C@]2([NH+](C)C)CCSC2)c(OC)c1 ZINC000480263333 561206044 /nfs/dbraw/zinc/20/60/44/561206044.db2.gz JSRATGNKESRSTN-LJQANCHMSA-N 1 0 364.511 2.356 20 30 FEEDRO CC[NH+](CC)CCOc1ccccc1NC(=O)C(=O)N1CCC(C#N)CC1 ZINC000177440987 546618939 /nfs/dbraw/zinc/61/89/39/546618939.db2.gz RXDLUMPAVQIHKZ-UHFFFAOYSA-N 1 0 372.469 2.108 20 30 FEEDRO C=CCOc1ccc(C[NH2+]Cc2ccc(S(=O)(=O)CCO)cc2)cc1 ZINC000480941576 561220674 /nfs/dbraw/zinc/22/06/74/561220674.db2.gz WRMNVEZLHYKTFA-UHFFFAOYSA-N 1 0 361.463 2.307 20 30 FEEDRO CC(C)OCC[NH+]1CCC(N[C@@H](C)C(=O)Nc2cccc(C#N)c2)CC1 ZINC000177484651 546629361 /nfs/dbraw/zinc/62/93/61/546629361.db2.gz IVNBNXCRNQOPHG-INIZCTEOSA-N 1 0 358.486 2.364 20 30 FEEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000177535201 546639363 /nfs/dbraw/zinc/63/93/63/546639363.db2.gz OAEIIIQLRUACOU-CABCVRRESA-N 1 0 374.510 2.429 20 30 FEEDRO N#Cc1ccc(CS(=O)(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)c(F)c1 ZINC000481033695 561223524 /nfs/dbraw/zinc/22/35/24/561223524.db2.gz HPLSPSYRWVLGCI-MRXNPFEDSA-N 1 0 365.474 2.335 20 30 FEEDRO C=CCc1ccccc1OC[C@H](O)C[NH+]1CCC([C@H](C)NC(C)=O)CC1 ZINC000481150136 561226498 /nfs/dbraw/zinc/22/64/98/561226498.db2.gz XJMVLACLVFUQMB-OXJNMPFZSA-N 1 0 360.498 2.391 20 30 FEEDRO Cc1c(C#N)cccc1NC(=O)C(=O)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000178448210 546796347 /nfs/dbraw/zinc/79/63/47/546796347.db2.gz NRRTXMZIMJJRNQ-UHFFFAOYSA-N 1 0 356.470 2.386 20 30 FEEDRO N#CCC[C@@H](NC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)c1ccccc1 ZINC000178794875 546850631 /nfs/dbraw/zinc/85/06/31/546850631.db2.gz OTYPKDZERRNAKG-IEBWSBKVSA-N 1 0 356.470 2.395 20 30 FEEDRO C=CCN(Cc1ccc(C(=O)OC(C)C)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000179236544 546918598 /nfs/dbraw/zinc/91/85/98/546918598.db2.gz SOLXYHDUNPWJKL-KRWDZBQOSA-N 1 0 351.468 2.427 20 30 FEEDRO CN(CCC#N)C(=O)CC[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000179356170 546938298 /nfs/dbraw/zinc/93/82/98/546938298.db2.gz XHBGIQRQNGQCNJ-UHFFFAOYSA-N 1 0 360.414 2.200 20 30 FEEDRO Cc1c(C#N)cccc1NC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000179469953 546959650 /nfs/dbraw/zinc/95/96/50/546959650.db2.gz MBHCXVFVUXNVNE-RBUKOAKNSA-N 1 0 362.433 2.367 20 30 FEEDRO CC(C)(C)OC(=O)N1CCN2C(NCc3ccc(Cl)cn3)=[NH+]C[C@@H]2C1 ZINC000179561946 546976901 /nfs/dbraw/zinc/97/69/01/546976901.db2.gz YKIHDUZUMCUSBS-CQSZACIVSA-N 1 0 365.865 2.116 20 30 FEEDRO CC(C)[C@H](C#N)N1CCN(C(=O)C[NH2+]C2(c3cccc(F)c3)CC2)CC1 ZINC000179692323 546998850 /nfs/dbraw/zinc/99/88/50/546998850.db2.gz IIJIHEZMUCZGAR-SFHVURJKSA-N 1 0 358.461 2.097 20 30 FEEDRO C[C@@H]([NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1)C1CCOCC1 ZINC000179864067 547022380 /nfs/dbraw/zinc/02/23/80/547022380.db2.gz ICSUNVLCBAJTGH-CQSZACIVSA-N 1 0 353.426 2.087 20 30 FEEDRO CCOCC[NH+]1CCN(Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1 ZINC000179915796 547027851 /nfs/dbraw/zinc/02/78/51/547027851.db2.gz ZDXTVCZZMOYJRP-UHFFFAOYSA-N 1 0 353.470 2.113 20 30 FEEDRO CCN1CC[NH+](C[C@@H](C)CNC(=O)Nc2ccccc2O[C@@H](C)C#N)CC1 ZINC000180017131 547039475 /nfs/dbraw/zinc/03/94/75/547039475.db2.gz NTGPRPDGHJDUNY-IRXDYDNUSA-N 1 0 373.501 2.373 20 30 FEEDRO CC(C)[NH2+]C1CCN(C(=O)C(=O)Nc2ccc(OC(C)C)c(C#N)c2)CC1 ZINC000180360471 547091549 /nfs/dbraw/zinc/09/15/49/547091549.db2.gz XYBORDOUTMNHCQ-UHFFFAOYSA-N 1 0 372.469 2.273 20 30 FEEDRO C#Cc1cccc(NC(=O)C(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000180402543 547101590 /nfs/dbraw/zinc/10/15/90/547101590.db2.gz GRBWDARMSTVDKQ-NVXWUHKLSA-N 1 0 353.466 2.376 20 30 FEEDRO C[C@H](NC(=O)C(=O)Nc1cccc(C#N)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000180413705 547103694 /nfs/dbraw/zinc/10/36/94/547103694.db2.gz ZZWVIJNWKLOPJQ-HOCLYGCPSA-N 1 0 354.454 2.266 20 30 FEEDRO C=C(C)CN(CC)C(=O)C[NH2+][C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000180526929 547123546 /nfs/dbraw/zinc/12/35/46/547123546.db2.gz GIIPAKIPGJGWPE-OAHLLOKOSA-N 1 0 367.515 2.012 20 30 FEEDRO N#Cc1ccc(NC(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)cc1 ZINC000180722582 547166693 /nfs/dbraw/zinc/16/66/93/547166693.db2.gz QSSVIJSGVZZKRL-IBGZPJMESA-N 1 0 350.422 2.447 20 30 FEEDRO COc1cccc(C[C@H]([NH2+]CCNC(=O)C2N=CC=CC2=O)C2CC2)c1 ZINC000180872959 547198644 /nfs/dbraw/zinc/19/86/44/547198644.db2.gz PMBQCNHACIWLSP-SKQREZPOSA-N 1 0 355.438 2.132 20 30 FEEDRO Cc1ccc(NC(=O)C[C@H](C)[NH2+]CCNC(=O)C2N=CC=CC2=O)c(C)c1 ZINC000180879842 547200339 /nfs/dbraw/zinc/20/03/39/547200339.db2.gz KQAPDGHYWIDQOD-DNTCVELPSA-N 1 0 370.453 2.137 20 30 FEEDRO C[C@@H]([NH2+]CC(=O)N[C@@](C)(C#N)C1CC1)c1cccc(N2CCCC2=O)c1 ZINC000181398835 547308453 /nfs/dbraw/zinc/30/84/53/547308453.db2.gz DACAQQBDFCNKAG-VLIAUNLRSA-N 1 0 354.454 2.272 20 30 FEEDRO C=C(C)COCCNC(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000181458270 547318814 /nfs/dbraw/zinc/31/88/14/547318814.db2.gz PQEXQFIWIUUUDB-UHFFFAOYSA-N 1 0 353.507 2.113 20 30 FEEDRO CNC(=O)C[C@@H]([NH2+]CCC(=O)Nc1ccc(C#N)cc1)c1ccccc1 ZINC000483404866 561276261 /nfs/dbraw/zinc/27/62/61/561276261.db2.gz KCVDKHILALDBDC-GOSISDBHSA-N 1 0 350.422 2.354 20 30 FEEDRO C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000181642457 547351144 /nfs/dbraw/zinc/35/11/44/547351144.db2.gz JPHKWJQVYIFCBD-ZDUSSCGKSA-N 1 0 372.469 2.341 20 30 FEEDRO COc1ccc(C#N)cc1CN1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000182614069 547522287 /nfs/dbraw/zinc/52/22/87/547522287.db2.gz CFISSTRGFWIFQH-YOFSQIOKSA-N 1 0 354.498 2.310 20 30 FEEDRO C=CCCC[N@@H+](C)CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000182790627 547552928 /nfs/dbraw/zinc/55/29/28/547552928.db2.gz LLGANEWOSACULV-IBGZPJMESA-N 1 0 358.461 2.433 20 30 FEEDRO CC[C@@H]1CC[N@H+](CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)C1 ZINC000182843659 547560965 /nfs/dbraw/zinc/56/09/65/547560965.db2.gz SYBPTQYLERBKEK-APWZRJJASA-N 1 0 358.461 2.266 20 30 FEEDRO N#Cc1ccc(NC(=O)CN2CCC(CCC[NH+]3CCOCC3)CC2)cc1 ZINC000182965124 547579523 /nfs/dbraw/zinc/57/95/23/547579523.db2.gz GAXXSCTXVPKGTM-UHFFFAOYSA-N 1 0 370.497 2.321 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)c2ccc(OC)c(Br)n2)CC1 ZINC000183041017 547590753 /nfs/dbraw/zinc/59/07/53/547590753.db2.gz RUUMHLVHJXMMTK-UHFFFAOYSA-N 1 0 354.248 2.233 20 30 FEEDRO CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH2+][C@H](Cc2ccccc2)C2CC2)CC1 ZINC000183402769 547651603 /nfs/dbraw/zinc/65/16/03/547651603.db2.gz CEHWCPSUTSTLKD-NHCUHLMSSA-N 1 0 368.525 2.290 20 30 FEEDRO CCO[C@H]1COCC[C@H]1[NH2+]CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000484636139 561301678 /nfs/dbraw/zinc/30/16/78/561301678.db2.gz BQKYKUSAKIESQI-MJGOQNOKSA-N 1 0 359.470 2.334 20 30 FEEDRO C=CCCCN(C)C(=O)C(=O)Nc1ccc(C)c(NC(=O)CC[NH+](C)C)c1 ZINC000184097150 547769744 /nfs/dbraw/zinc/76/97/44/547769744.db2.gz QLGAIBPQQVAIOD-UHFFFAOYSA-N 1 0 374.485 2.248 20 30 FEEDRO CC[NH+](CC)CCSCC(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000184284233 547800340 /nfs/dbraw/zinc/80/03/40/547800340.db2.gz JGLBDULHHYCGRS-UHFFFAOYSA-N 1 0 358.471 2.152 20 30 FEEDRO CC(C)(C)OC(=O)NC[C@H]([NH2+]CC(=O)Nc1sccc1C#N)C1CC1 ZINC000185216975 547954025 /nfs/dbraw/zinc/95/40/25/547954025.db2.gz AKWXWJUQLAVCAJ-ZDUSSCGKSA-N 1 0 364.471 2.451 20 30 FEEDRO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)[C@H]1COc2ccccc21 ZINC000185592174 548006294 /nfs/dbraw/zinc/00/62/94/548006294.db2.gz RDODVBHWPNFSCT-RDTXWAMCSA-N 1 0 356.447 2.486 20 30 FEEDRO C#CCOc1ccccc1NC(=O)C(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000187346218 548255525 /nfs/dbraw/zinc/25/55/25/548255525.db2.gz DSHDQLDQQPPACC-UHFFFAOYSA-N 1 0 371.481 2.265 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNS(=O)(=O)c1c(C)nn(C)c1C)C(C)C ZINC000188080162 548270164 /nfs/dbraw/zinc/27/01/64/548270164.db2.gz HRVZELDLDXTWJF-MRXNPFEDSA-N 1 0 354.520 2.014 20 30 FEEDRO CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)c1cccc(CC#N)c1 ZINC000188167550 548273843 /nfs/dbraw/zinc/27/38/43/548273843.db2.gz GUVGMRQJODJCEG-QFIPXVFZSA-N 1 0 363.461 2.462 20 30 FEEDRO C=CC[C@H](C(=O)N1CCN(C(=O)C[NH+](CC)CC)CC1)c1ccccc1 ZINC000189138340 548296252 /nfs/dbraw/zinc/29/62/52/548296252.db2.gz ZDQGLCRXJPZVHD-IBGZPJMESA-N 1 0 357.498 2.359 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)c2cc(Br)c(C)[nH]c2=O)CC1 ZINC000189277275 548299516 /nfs/dbraw/zinc/29/95/16/548299516.db2.gz ULUJAGCJXAGSBG-UHFFFAOYSA-N 1 0 354.248 2.238 20 30 FEEDRO Cc1ccc(N(CCC#N)C(=O)C[N@@H+](C)C2(CO)CCOCC2)cc1C ZINC000190977496 548338019 /nfs/dbraw/zinc/33/80/19/548338019.db2.gz SLZMDLWLHYRBDH-UHFFFAOYSA-N 1 0 359.470 2.023 20 30 FEEDRO CC1CCC(NC(=O)CN2CCN(CC#Cc3ccccc3)CC2)CC1 ZINC000192099595 548358548 /nfs/dbraw/zinc/35/85/48/548358548.db2.gz ZNKJLRQQIBYDLD-UHFFFAOYSA-N 1 0 353.510 2.351 20 30 FEEDRO CC(C)OC(=O)[C@@H]1CCCN1[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192677848 548370660 /nfs/dbraw/zinc/37/06/60/548370660.db2.gz JYXKHDCOSATTPP-ROUUACIJSA-N 1 0 355.438 2.470 20 30 FEEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)NCC3CCOCC3)CC2)cc1 ZINC000194817526 548535526 /nfs/dbraw/zinc/53/55/26/548535526.db2.gz CRBRBQPNXKFVJA-UHFFFAOYSA-N 1 0 356.470 2.202 20 30 FEEDRO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000194920874 548550632 /nfs/dbraw/zinc/55/06/32/548550632.db2.gz ZJNLNJNWKFNICO-CALCHBBNSA-N 1 0 355.482 2.497 20 30 FEEDRO C[NH+](C)CCn1c2cc(NC(=O)c3ccc(C#N)s3)ccc2oc1=O ZINC000486878163 561358816 /nfs/dbraw/zinc/35/88/16/561358816.db2.gz HYQWDLKGDHECHU-UHFFFAOYSA-N 1 0 356.407 2.342 20 30 FEEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(OCCc2ccccc2)CC1 ZINC000195210038 548597234 /nfs/dbraw/zinc/59/72/34/548597234.db2.gz CAPWIMXHLYJQDW-INIZCTEOSA-N 1 0 359.470 2.110 20 30 FEEDRO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@@H](C(=O)NCCC)C1 ZINC000195316063 548621329 /nfs/dbraw/zinc/62/13/29/548621329.db2.gz GQHQAGSQOYVVLX-MOPGFXCFSA-N 1 0 360.498 2.393 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N[C@H]2CCCC[C@H]2C[NH3+])cc1C(F)(F)F ZINC000237904225 548863446 /nfs/dbraw/zinc/86/34/46/548863446.db2.gz ZCRZXUJDLIRYMA-FZMZJTMJSA-N 1 0 361.389 2.373 20 30 FEEDRO COC(=O)[C@@H]1C[C@H](c2ccccc2)C[N@H+](CCC(=O)N(C)CCC#N)C1 ZINC000245547185 548944768 /nfs/dbraw/zinc/94/47/68/548944768.db2.gz XEQFJFQUKWDRAM-ZWKOTPCHSA-N 1 0 357.454 2.027 20 30 FEEDRO N#Cc1ccsc1NC(=O)CC[N@@H+]1CC[C@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000245731901 548984255 /nfs/dbraw/zinc/98/42/55/548984255.db2.gz CKXUCVHNHMWWOU-HOCLYGCPSA-N 1 0 372.494 2.424 20 30 FEEDRO C[C@H]1CCC[N@H+](CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)C1 ZINC000245882510 549009078 /nfs/dbraw/zinc/00/90/78/549009078.db2.gz NXBYSVKMSBRDTF-QFBILLFUSA-N 1 0 358.461 2.266 20 30 FEEDRO C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CCC[C@@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000246187426 549072276 /nfs/dbraw/zinc/07/22/76/549072276.db2.gz RXWLUPFGIWZQGB-DOTOQJQBSA-N 1 0 366.469 2.412 20 30 FEEDRO C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCCC[C@H]1CN1CCOCC1 ZINC000246228478 549084906 /nfs/dbraw/zinc/08/49/06/549084906.db2.gz CAURIPBMMCPHKF-LPHOPBHVSA-N 1 0 356.470 2.072 20 30 FEEDRO C[C@H]1CCC[N@H+](CCNC(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)C1 ZINC000246778643 549210027 /nfs/dbraw/zinc/21/00/27/549210027.db2.gz PWVZQKLQHQLJRN-ICSRJNTNSA-N 1 0 369.513 2.138 20 30 FEEDRO C[C@H]1C[C@H](C)C[NH+](CCCNS(=O)(=O)c2ccc(F)c(C#N)c2)C1 ZINC000488860953 561398203 /nfs/dbraw/zinc/39/82/03/561398203.db2.gz YCLANHQXQZJZIB-KBPBESRZSA-N 1 0 353.463 2.344 20 30 FEEDRO C[N@@H+](Cc1ccc([S@](C)=O)cc1)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000247023897 549267812 /nfs/dbraw/zinc/26/78/12/549267812.db2.gz LZTFOYCDPFYTQO-NSYGIPOTSA-N 1 0 358.463 2.167 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+](C)C[C@H]1CCN(C(C)=O)C1 ZINC000247179880 549295361 /nfs/dbraw/zinc/29/53/61/549295361.db2.gz YCAVZBUUPXQEET-NVXWUHKLSA-N 1 0 363.527 2.451 20 30 FEEDRO CC(C)CN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000489095763 561403303 /nfs/dbraw/zinc/40/33/03/561403303.db2.gz BUVDJWDNLGPXEW-UHFFFAOYSA-N 1 0 353.463 2.438 20 30 FEEDRO Cc1ncc(S(=O)(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)cc1C#N ZINC000489120687 561403967 /nfs/dbraw/zinc/40/39/67/561403967.db2.gz DWTFCJNPUMBKKR-IBGZPJMESA-N 1 0 370.478 2.377 20 30 FEEDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNS(=O)(=O)c2ccc(C#N)c(F)c2)C1 ZINC000489128078 561404076 /nfs/dbraw/zinc/40/40/76/561404076.db2.gz XFCQUULXDHRUCH-OKILXGFUSA-N 1 0 353.463 2.344 20 30 FEEDRO Cc1ncc(S(=O)(=O)N(CC[NH+](C)C)Cc2ccccc2)cc1C#N ZINC000489049888 561402306 /nfs/dbraw/zinc/40/23/06/561402306.db2.gz QIOFRRKCFULRMD-UHFFFAOYSA-N 1 0 358.467 2.014 20 30 FEEDRO C=CC[C@H](CO)NC(=O)C(=O)Nc1cccc2c1C[N@H+]([C@@H](C)C(C)C)C2 ZINC000248497090 549450515 /nfs/dbraw/zinc/45/05/15/549450515.db2.gz LPXMXULMOHYGJZ-GOEBONIOSA-N 1 0 359.470 2.038 20 30 FEEDRO C=C[C@H]1CCCC[N@@H+]1CC(=O)NCc1ccccc1CN1CCOCC1 ZINC000489404242 561410128 /nfs/dbraw/zinc/41/01/28/561410128.db2.gz ONHBRQDDLYLWQF-FQEVSTJZSA-N 1 0 357.498 2.176 20 30 FEEDRO C[N@@H+]1CCC[C@@H](CNS(=O)(=O)CC2(C#N)CC2)[C@H]1c1cccs1 ZINC000248626677 549470764 /nfs/dbraw/zinc/47/07/64/549470764.db2.gz FZHIIRVBKZILJT-ZFWWWQNUSA-N 1 0 353.513 2.354 20 30 FEEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CN2CC[C@H](C)[C@H]2CO)c1C#N ZINC000248904792 549526036 /nfs/dbraw/zinc/52/60/36/549526036.db2.gz HUULKQCNAWLDDT-SCLBCKFNSA-N 1 0 370.453 2.259 20 30 FEEDRO CC[C@@H]1CC[N@H+](CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)C1 ZINC000252733895 549678660 /nfs/dbraw/zinc/67/86/60/549678660.db2.gz SYBPTQYLERBKEK-VQIMIIECSA-N 1 0 358.461 2.266 20 30 FEEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@H]([NH3+])C2CCOCC2)cc1 ZINC000261879686 549765153 /nfs/dbraw/zinc/76/51/53/549765153.db2.gz ULJAOUAKSDEBBH-SFHVURJKSA-N 1 0 357.454 2.193 20 30 FEEDRO CC(C)(C)NC(=[NH2+])NCc1cccc(N2C(=O)NC3(CCCC3)C2=O)c1 ZINC000262286050 549806266 /nfs/dbraw/zinc/80/62/66/549806266.db2.gz KDJCCWGTCQESQN-UHFFFAOYSA-N 1 0 357.458 2.258 20 30 FEEDRO O=S1(=O)CC[C@@H](CNC(NCc2cccc(F)c2)=[NH+]C2CCCC2)C1 ZINC000262451276 549821236 /nfs/dbraw/zinc/82/12/36/549821236.db2.gz WATHKSFWZBWIKG-HNNXBMFYSA-N 1 0 367.490 2.238 20 30 FEEDRO Cc1nnc2n1C[C@@H](CNC(=[NH2+])NCc1cccc(C(F)(F)F)c1)CC2 ZINC000262546127 549827372 /nfs/dbraw/zinc/82/73/72/549827372.db2.gz VEKXISAVMLZRJS-CYBMUJFWSA-N 1 0 366.391 2.272 20 30 FEEDRO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1C[C@H](N2CCOCC2)[C@@H](CC)C1 ZINC000490415573 561432682 /nfs/dbraw/zinc/43/26/82/561432682.db2.gz KGNCRKPHAGZDPA-TYPHKJRUSA-N 1 0 374.525 2.197 20 30 FEEDRO CC[NH+]=C(NCc1ccc(F)c(C)c1)NC[C@H]1CCc2nnc(C)n2C1 ZINC000262749656 549846291 /nfs/dbraw/zinc/84/62/91/549846291.db2.gz BMRSPXQMWCUQNC-MRXNPFEDSA-N 1 0 358.465 2.352 20 30 FEEDRO C[NH+]=C(NCCS(=O)(=O)Cc1ccccc1)N1CCc2ccccc2C1 ZINC000263228727 549887170 /nfs/dbraw/zinc/88/71/70/549887170.db2.gz HHJWVKSOFHWSPU-UHFFFAOYSA-N 1 0 371.506 2.235 20 30 FEEDRO C[NH+]=C(NCCS(=O)(=O)Cc1ccccc1)N1CCc2ccccc21 ZINC000263246761 549889228 /nfs/dbraw/zinc/88/92/28/549889228.db2.gz NCZSXTNBAHLKOV-UHFFFAOYSA-N 1 0 357.479 2.240 20 30 FEEDRO C[NH+]=C(NCc1cccc(NS(C)(=O)=O)c1)N1CCc2ccccc21 ZINC000263261583 549890123 /nfs/dbraw/zinc/89/01/23/549890123.db2.gz SQNYQDYQAIUJRI-UHFFFAOYSA-N 1 0 358.467 2.196 20 30 FEEDRO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2S(=O)(=O)c1ccc(C#N)nc1 ZINC000263647050 549912658 /nfs/dbraw/zinc/91/26/58/549912658.db2.gz AKZYLPJSRHEHOW-HKUYNNGSSA-N 1 0 368.462 2.258 20 30 FEEDRO C=CCc1ccc(OC[C@@H](O)C[N@@H+](CC)Cc2cnn(C)c2)c(OC)c1 ZINC000263692952 549920875 /nfs/dbraw/zinc/92/08/75/549920875.db2.gz LQTYDGFNEYZUSR-SFHVURJKSA-N 1 0 359.470 2.419 20 30 FEEDRO CC(C)(C)OC(=O)NC[C@H]1CC[N@H+](CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000263721579 549925640 /nfs/dbraw/zinc/92/56/40/549925640.db2.gz OORGTACNVVKLPR-QGZVFWFLSA-N 1 0 372.469 2.021 20 30 FEEDRO COc1ccc(CCNC(=[NH2+])NCc2cccc(C(=O)NC3CC3)c2)cc1 ZINC000264115441 549980900 /nfs/dbraw/zinc/98/09/00/549980900.db2.gz SJLBZYKXUNKJKK-UHFFFAOYSA-N 1 0 366.465 2.234 20 30 FEEDRO [NH2+]=C(NCCc1ccc(OCC(=O)NC2CC2)cc1)NC1CCCCC1 ZINC000264128425 549982657 /nfs/dbraw/zinc/98/26/57/549982657.db2.gz XCTFLGZOWKWYBL-UHFFFAOYSA-N 1 0 358.486 2.124 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(S(C)(=O)=O)cc2)CC1 ZINC000264417836 549995989 /nfs/dbraw/zinc/99/59/89/549995989.db2.gz SISZXNRVRDTOSY-UHFFFAOYSA-N 1 0 351.472 2.252 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)Nc2ccc([C@@H](C)N3CCOCC3)cc2)CC1 ZINC000264491246 549996752 /nfs/dbraw/zinc/99/67/52/549996752.db2.gz WLYXKZYFWGVBAW-QGZVFWFLSA-N 1 0 355.482 2.364 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cccc(N3C(=O)CCC3=O)c2)CC1 ZINC000264527116 549997083 /nfs/dbraw/zinc/99/70/83/549997083.db2.gz YYCDWUJODNLLMB-UHFFFAOYSA-N 1 0 355.438 2.110 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1cccc(OCC(F)(F)F)n1 ZINC000265772887 550013990 /nfs/dbraw/zinc/01/39/90/550013990.db2.gz IKCGIIISIOQPPX-UHFFFAOYSA-N 1 0 358.364 2.330 20 30 FEEDRO C[C@H]([NH2+][C@H]1CCCN(c2cnn(C)c2)C1=O)c1ccc(OCC#N)cc1 ZINC000266456240 550020562 /nfs/dbraw/zinc/02/05/62/550020562.db2.gz LAOUSOPCIGCCKD-KSSFIOAISA-N 1 0 353.426 2.169 20 30 FEEDRO CC(C)CCN(CCC#N)CC(=O)N(CCC(N)=O)Cc1ccccc1 ZINC000266779478 550024107 /nfs/dbraw/zinc/02/41/07/550024107.db2.gz ZJBMMIBAKPCGDC-UHFFFAOYSA-N 1 0 358.486 2.152 20 30 FEEDRO C[C@@H](NC(=O)CON=C(N)c1ccc(C[NH+](C)C)cc1)c1cccs1 ZINC000267033234 550027345 /nfs/dbraw/zinc/02/73/45/550027345.db2.gz WGFDOWVZZFXARM-CYBMUJFWSA-N 1 0 360.483 2.324 20 30 FEEDRO COc1ccc(CNC(=[NH2+])NCCc2ccccc2[N+](=O)[O-])cc1OC ZINC000267402543 550031036 /nfs/dbraw/zinc/03/10/36/550031036.db2.gz GKCVTYPYMCVXFG-UHFFFAOYSA-N 1 0 358.398 2.259 20 30 FEEDRO Cc1ccc([C@H]2OCCC[C@H]2CNC(=[NH2+])NCCCN2CCOCC2)cc1 ZINC000267454519 550031836 /nfs/dbraw/zinc/03/18/36/550031836.db2.gz SLBAJFUGLDUFEI-VQTJNVASSA-N 1 0 374.529 2.089 20 30 FEEDRO C[C@@H]1C[N@@H+](CCCNC(=O)NC2(c3cccc(C#N)c3)CC2)C[C@H](C)O1 ZINC000269664726 550215361 /nfs/dbraw/zinc/21/53/61/550215361.db2.gz KNSPTAGQMGZEFK-IYBDPMFKSA-N 1 0 356.470 2.346 20 30 FEEDRO C[NH+](C)CCn1cc(NC(=O)C(C)(C)Oc2ccc(C#N)cc2)ccc1=O ZINC000270283648 550259283 /nfs/dbraw/zinc/25/92/83/550259283.db2.gz VTZWZTXCLANWEK-UHFFFAOYSA-N 1 0 368.437 2.078 20 30 FEEDRO C#CC[C@@H](NC(=O)N1CC[C@@H](N2CC[NH+](CC)CC2)C1)c1ccccc1 ZINC000270375329 550266863 /nfs/dbraw/zinc/26/68/63/550266863.db2.gz UVDIYLTVVFDEDH-WOJBJXKFSA-N 1 0 354.498 2.172 20 30 FEEDRO C=CCOc1ccc(C(=O)N2C[C@H](SC)[C@@H]([NH+](C)C)C2)cc1OC ZINC000270551707 550283062 /nfs/dbraw/zinc/28/30/62/550283062.db2.gz ZNNUYMAGEYOJFA-YOEHRIQHSA-N 1 0 350.484 2.378 20 30 FEEDRO CS[C@@H]1CN(CC(=O)Nc2cc(Cl)ccc2C#N)C[C@@H]1[NH+](C)C ZINC000270639250 550291659 /nfs/dbraw/zinc/29/16/59/550291659.db2.gz ITWQELBXBHOJRA-LSDHHAIUSA-N 1 0 352.891 2.128 20 30 FEEDRO N#CCc1ccc(C(=O)N[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2CO)cc1 ZINC000270810420 550309341 /nfs/dbraw/zinc/30/93/41/550309341.db2.gz GYEJJWABDOYKKB-SFTDATJTSA-N 1 0 363.461 2.365 20 30 FEEDRO CC(C)N1CC[NH+](C2CCN(C(=O)Cc3ccc(C#N)cc3)CC2)CC1 ZINC000270821795 550310590 /nfs/dbraw/zinc/31/05/90/550310590.db2.gz BKGZYNSMYFNLGB-UHFFFAOYSA-N 1 0 354.498 2.118 20 30 FEEDRO C#CC[C@@H]([NH2+]CC(=O)N1CCC(C(=O)N(C)C(C)C)CC1)c1ccccc1 ZINC000271726568 550397970 /nfs/dbraw/zinc/39/79/70/550397970.db2.gz RILFDIYDUOKTQP-HXUWFJFHSA-N 1 0 369.509 2.446 20 30 FEEDRO C=CCN(CC=C)C(=O)C[NH2+][C@@H](C)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000271745145 550399028 /nfs/dbraw/zinc/39/90/28/550399028.db2.gz JJXMWCMGVUKNOB-INIZCTEOSA-N 1 0 371.481 2.195 20 30 FEEDRO CCC[C@@H]1CN(C(=O)Nc2cc(C)n(CCC#N)n2)CC[N@@H+]1CCOC ZINC000272041141 550418331 /nfs/dbraw/zinc/41/83/31/550418331.db2.gz FVOJSCYNYFZRAD-MRXNPFEDSA-N 1 0 362.478 2.070 20 30 FEEDRO CCOc1ccc(N(CCC#N)C(=O)C[NH2+][C@@H]2CCO[C@H]2C2CC2)cc1 ZINC000494464343 561470287 /nfs/dbraw/zinc/47/02/87/561470287.db2.gz QKKJBYQKNIRKLH-QUCCMNQESA-N 1 0 357.454 2.489 20 30 FEEDRO C=C(C)COc1cccc(NC(=O)C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)c1 ZINC000272361856 550441093 /nfs/dbraw/zinc/44/10/93/550441093.db2.gz SGZFUWCDVGSGKK-MAUKXSAKSA-N 1 0 357.454 2.133 20 30 FEEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+]Cc3cc4c(cc3O)OCO4)C2=O)cc1 ZINC000272629315 550461593 /nfs/dbraw/zinc/46/15/93/550461593.db2.gz XQNQUHPGXWFVMH-MRXNPFEDSA-N 1 0 365.389 2.278 20 30 FEEDRO CC1(C#N)CCN(C(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)CC1 ZINC000272692756 550465539 /nfs/dbraw/zinc/46/55/39/550465539.db2.gz WFTAUCYKQBOAAY-UHFFFAOYSA-N 1 0 370.497 2.479 20 30 FEEDRO C=CCS(=O)(=O)CC[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000272878405 550474872 /nfs/dbraw/zinc/47/48/72/550474872.db2.gz QDHGKCDCWXVDBF-ZBFHGGJFSA-N 1 0 352.456 2.496 20 30 FEEDRO N#Cc1ccnc(NCc2ccccc2C[N@H+]2CC[C@H](O)C2)c1[N+](=O)[O-] ZINC000273185052 550488867 /nfs/dbraw/zinc/48/88/67/550488867.db2.gz MEMSQHZUKHYHNM-INIZCTEOSA-N 1 0 353.382 2.040 20 30 FEEDRO N#Cc1cc([N+](=O)[O-])cnc1NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000273252979 550491839 /nfs/dbraw/zinc/49/18/39/550491839.db2.gz VFXJRCPFIFDAEC-KRWDZBQOSA-N 1 0 353.382 2.040 20 30 FEEDRO CCCC[C@H](ON=C(C)C)C(=O)Nc1ccc(=O)n(CC[NH+](C)C)c1 ZINC000273466774 550499403 /nfs/dbraw/zinc/49/94/03/550499403.db2.gz NUVXFZQNMDGRHX-INIZCTEOSA-N 1 0 350.463 2.320 20 30 FEEDRO Cc1ccsc1[C@H](CO)[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000494624686 561472787 /nfs/dbraw/zinc/47/27/87/561472787.db2.gz HJFXRMLIEVLQRO-HNNXBMFYSA-N 1 0 350.465 2.025 20 30 FEEDRO C=C(C)[C@H](NC(=O)NCC1(O)CC[NH+](C)CC1)c1ccc(F)c(F)c1 ZINC000275104264 550570751 /nfs/dbraw/zinc/57/07/51/550570751.db2.gz KKKCLOSXHHRYQN-INIZCTEOSA-N 1 0 353.413 2.338 20 30 FEEDRO CCCCOc1ccccc1NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C ZINC000275786339 550574575 /nfs/dbraw/zinc/57/45/75/550574575.db2.gz GCLYOENMELDFSO-UHFFFAOYSA-N 1 0 374.485 2.498 20 30 FEEDRO C[C@H](NC(=O)C(=O)Nc1cccc(OCCCC#N)c1)C1=CC[N@H+](C)CC1 ZINC000276158499 550577292 /nfs/dbraw/zinc/57/72/92/550577292.db2.gz ROGLNSFJRAYNJQ-HNNXBMFYSA-N 1 0 370.453 2.074 20 30 FEEDRO CN1C(=O)C[C@H]([NH2+]C[C@H](O)c2ccc(C#N)cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000276961562 550615876 /nfs/dbraw/zinc/61/58/76/550615876.db2.gz QCSSLTLMUQMYSK-CMKODMSKSA-N 1 0 371.387 2.431 20 30 FEEDRO C[NH+](C)CCCN(Cc1ccccc1)S(=O)(=O)c1cccnc1C#N ZINC000277098643 550631943 /nfs/dbraw/zinc/63/19/43/550631943.db2.gz WMEHJZHWMAGPPH-UHFFFAOYSA-N 1 0 358.467 2.096 20 30 FEEDRO CCNC(=O)C(C)(C)C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000278628446 550806113 /nfs/dbraw/zinc/80/61/13/550806113.db2.gz KILYKMFFVAFVCN-UHFFFAOYSA-N 1 0 354.458 2.111 20 30 FEEDRO C=CCOc1ccc(C[N@H+]2C[C@H](CO)C[C@@H](OCCOC)C2)cc1OC ZINC000278647752 550807599 /nfs/dbraw/zinc/80/75/99/550807599.db2.gz JNGAYBZKMCIJJE-QZTJIDSGSA-N 1 0 365.470 2.106 20 30 FEEDRO C=CCCCNC(=O)C(=O)Nc1ccc(N(C)C2CC[NH+](C)CC2)cc1 ZINC000279089096 550853026 /nfs/dbraw/zinc/85/30/26/550853026.db2.gz ABMABMSMSYDXQB-UHFFFAOYSA-N 1 0 358.486 2.238 20 30 FEEDRO C#CCn1ccc(CN(CC)C(=O)NCc2ccc(CC[NH+](C)C)cc2)n1 ZINC000279982615 550949716 /nfs/dbraw/zinc/94/97/16/550949716.db2.gz JWDIFVANRFAUMA-UHFFFAOYSA-N 1 0 367.497 2.352 20 30 FEEDRO C=CC[C@@H](CO)[NH2+][C@@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000280090100 550959965 /nfs/dbraw/zinc/95/99/65/550959965.db2.gz MJHLRXLOWODIKP-IUCAKERBSA-N 1 0 353.271 2.228 20 30 FEEDRO CS[C@@H]1CN(C(=O)[C@H](Oc2ccccc2C#N)C(C)C)C[C@H]1[NH+](C)C ZINC000495638763 561489957 /nfs/dbraw/zinc/48/99/57/561489957.db2.gz SSVJFMFXKZHMMV-KBAYOESNSA-N 1 0 361.511 2.466 20 30 FEEDRO CC[NH+](CC)C[C@H]1CCN(C(=O)C2CCN(c3oc(C)nc3C#N)CC2)C1 ZINC000280248879 550974388 /nfs/dbraw/zinc/97/43/88/550974388.db2.gz UERIECNGCFQMEL-MRXNPFEDSA-N 1 0 373.501 2.261 20 30 FEEDRO C[C@H]1C[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@]2(CCOC2)O1 ZINC000280333342 550981844 /nfs/dbraw/zinc/98/18/44/550981844.db2.gz HUOBDUJBMNNMEH-UGSOOPFHSA-N 1 0 363.845 2.420 20 30 FEEDRO COC(=O)[C@H]1CC[C@H](C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)CC1 ZINC000280493151 550999953 /nfs/dbraw/zinc/99/99/53/550999953.db2.gz BTIVYIPPTDRBCG-WGSAOQKQSA-N 1 0 371.481 2.428 20 30 FEEDRO Cc1oc(C#N)cc1C(=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000280981141 551051591 /nfs/dbraw/zinc/05/15/91/551051591.db2.gz DAXMPDQRMHVQNY-APWZRJJASA-N 1 0 353.422 2.073 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000281311873 551083563 /nfs/dbraw/zinc/08/35/63/551083563.db2.gz ILFJASLFTCUFDL-PMACEKPBSA-N 1 0 357.498 2.145 20 30 FEEDRO C=CCN(CCc1ccco1)C(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000496654293 561495118 /nfs/dbraw/zinc/49/51/18/561495118.db2.gz YXQHSNKLITZSTL-UHFFFAOYSA-N 1 0 368.481 2.444 20 30 FEEDRO Cc1nc(C#N)c(N2CCC(C(=O)NC[C@H]3CCCC[N@@H+]3C3CC3)CC2)o1 ZINC000281531329 551109493 /nfs/dbraw/zinc/10/94/93/551109493.db2.gz HVYMGMFFJCFQEZ-QGZVFWFLSA-N 1 0 371.485 2.204 20 30 FEEDRO C=CCN1CC[C@@H]([N@@H+]2CCCN(c3cc(OC)cc(OC)c3)CC2)C1=O ZINC000282027845 551171567 /nfs/dbraw/zinc/17/15/67/551171567.db2.gz PTZMRZQGZRPBHU-LJQANCHMSA-N 1 0 359.470 2.003 20 30 FEEDRO COc1cc(C[NH2+][C@H]2CCN(C(=O)COc3ccccc3)C2)ccc1C#N ZINC000282147104 551186692 /nfs/dbraw/zinc/18/66/92/551186692.db2.gz ADSMVHXXXQTQEF-SFHVURJKSA-N 1 0 365.433 2.336 20 30 FEEDRO Cc1ccccc1C[NH+]1CCC(NS(=O)(=O)N(C)[C@H](C)CC#N)CC1 ZINC000282409006 551224570 /nfs/dbraw/zinc/22/45/70/551224570.db2.gz ATQZTBMLGFZFCJ-MRXNPFEDSA-N 1 0 364.515 2.028 20 30 FEEDRO C=CCn1c(-c2ccc(C)o2)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC000282465498 551233363 /nfs/dbraw/zinc/23/33/63/551233363.db2.gz BHHFHGJZYZUFKL-UHFFFAOYSA-N 1 0 357.458 2.334 20 30 FEEDRO COc1cc(C[N@H+](C)C[C@@H]2C[C@H](F)CN2Cc2ccnn2C)ccc1C#N ZINC000282482561 551235026 /nfs/dbraw/zinc/23/50/26/551235026.db2.gz WZTRJNQXTVLUSO-HKUYNNGSSA-N 1 0 371.460 2.345 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H]2CCN(C(=O)Nc3ccccc3)C2)CC1 ZINC000282809410 551272855 /nfs/dbraw/zinc/27/28/55/551272855.db2.gz QTIDWNKLELRZQL-GOSISDBHSA-N 1 0 371.485 2.242 20 30 FEEDRO C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000283126113 551315831 /nfs/dbraw/zinc/31/58/31/551315831.db2.gz CEUHVEZLWCKVLE-KRWDZBQOSA-N 1 0 372.517 2.155 20 30 FEEDRO CC(C)N(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000283803062 551429614 /nfs/dbraw/zinc/42/96/14/551429614.db2.gz AVFGNDMHUXLFHO-RBUKOAKNSA-N 1 0 368.481 2.038 20 30 FEEDRO CCC[NH+](CCC)CCCNC(=O)C(=O)N[C@H](C)c1ccc(C#N)cc1 ZINC000284003007 551466041 /nfs/dbraw/zinc/46/60/41/551466041.db2.gz NDTVQAUTETWCLY-MRXNPFEDSA-N 1 0 358.486 2.364 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N(C)[C@@H](C)c1ccccn1)C(C)C ZINC000284097565 551483037 /nfs/dbraw/zinc/48/30/37/551483037.db2.gz PKHFVBURNUQLDS-HKUYNNGSSA-N 1 0 372.513 2.416 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)NCc2cccc(C(F)(F)F)c2)CC1 ZINC000284118775 551487067 /nfs/dbraw/zinc/48/70/67/551487067.db2.gz RFYXRMXSMRWDHL-UHFFFAOYSA-N 1 0 369.387 2.088 20 30 FEEDRO C[C@@H](NC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCCCC1)c1ccc(C#N)cc1 ZINC000284143895 551491946 /nfs/dbraw/zinc/49/19/46/551491946.db2.gz WTAUTPAXLNZGCG-VQIMIIECSA-N 1 0 368.481 2.212 20 30 FEEDRO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)Nc2ccn(CCC#N)n2)cc1 ZINC000284170618 551497237 /nfs/dbraw/zinc/49/72/37/551497237.db2.gz SUXQAVBHZQZNOM-UHFFFAOYSA-N 1 0 368.441 2.216 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H](CC)c2ccc(OC)cc2)CC1 ZINC000284171609 551497616 /nfs/dbraw/zinc/49/76/16/551497616.db2.gz NWKUWBKVIRJWQA-SFHVURJKSA-N 1 0 359.470 2.029 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H](c2ccc(OC)cc2)C(C)C)CC1 ZINC000284562444 551577649 /nfs/dbraw/zinc/57/76/49/551577649.db2.gz DLWAMBZUKWROKD-IBGZPJMESA-N 1 0 373.497 2.275 20 30 FEEDRO CC[NH+](CC)[C@@H](CNC(=O)Cc1noc(C)c1C#N)Cc1ccccc1 ZINC000498532891 561527185 /nfs/dbraw/zinc/52/71/85/561527185.db2.gz VARKGGWPBZWAOP-QGZVFWFLSA-N 1 0 354.454 2.467 20 30 FEEDRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N1CC(C)(C#N)C1 ZINC000284616868 551590882 /nfs/dbraw/zinc/59/08/82/551590882.db2.gz ORZBTFDWPSMGNC-UHFFFAOYSA-N 1 0 357.458 2.214 20 30 FEEDRO Cc1onc(CC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)c1C#N ZINC000498531261 561527224 /nfs/dbraw/zinc/52/72/24/561527224.db2.gz CYADCDKHXHYWCQ-UHFFFAOYSA-N 1 0 352.438 2.486 20 30 FEEDRO CCNC(=O)C[C@@H]1CCCC[N@@H+]1CC(=O)N(CCC#N)c1ccccc1 ZINC000284725069 551617619 /nfs/dbraw/zinc/61/76/19/551617619.db2.gz JXDDAMJQBZVJFI-SFHVURJKSA-N 1 0 356.470 2.314 20 30 FEEDRO C[N@@H+]1CCN(CC(=O)Nc2sccc2C#N)C[C@H]1Cc1ccccc1 ZINC000284954537 551676505 /nfs/dbraw/zinc/67/65/05/551676505.db2.gz ZKZFHWNQPSFVIN-QGZVFWFLSA-N 1 0 354.479 2.417 20 30 FEEDRO CCC[NH+]1CCN(C(=O)C2CCN(c3ccc(C#N)cc3F)CC2)CC1 ZINC000285172976 551715468 /nfs/dbraw/zinc/71/54/68/551715468.db2.gz BEOJYOWDQJDGDO-UHFFFAOYSA-N 1 0 358.461 2.468 20 30 FEEDRO N#Cc1ccc(OC2CC[NH+](CCn3ccc([N+](=O)[O-])n3)CC2)c(F)c1 ZINC000285447881 551758406 /nfs/dbraw/zinc/75/84/06/551758406.db2.gz IQHJSYZXMJCZRU-UHFFFAOYSA-N 1 0 359.361 2.345 20 30 FEEDRO Cc1ccc(C#N)cc1S(=O)(=O)N[C@H]1CN(C)C[C@@H]1c1ccccc1 ZINC000498850735 561535763 /nfs/dbraw/zinc/53/57/63/561535763.db2.gz BRMMIVGUIUXHEF-MSOLQXFVSA-N 1 0 355.463 2.243 20 30 FEEDRO CC(C)(C(=O)N1CC[C@H](C[NH+]2CCOCC2)C1)c1cc(F)cc(C#N)c1 ZINC000285551671 551773781 /nfs/dbraw/zinc/77/37/81/551773781.db2.gz GQRQMLHELZQQGZ-OAHLLOKOSA-N 1 0 359.445 2.156 20 30 FEEDRO C#CCSCCNC(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000285609894 551782347 /nfs/dbraw/zinc/78/23/47/551782347.db2.gz XZNOXMFUORXSTG-UHFFFAOYSA-N 1 0 361.511 2.325 20 30 FEEDRO CC[N@@H+]1C[C@@H](C)N(CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C[C@H]1C ZINC000498941395 561538597 /nfs/dbraw/zinc/53/85/97/561538597.db2.gz YZRKWIBSKGXARC-HZPDHXFCSA-N 1 0 366.469 2.097 20 30 FEEDRO N#Cc1ccccc1NC(=O)CC[N@@H+]1CC[C@H](C(F)(F)F)[C@@H](CO)C1 ZINC000286294242 551870829 /nfs/dbraw/zinc/87/08/29/551870829.db2.gz CEHZIFIRUSXSQQ-KGLIPLIRSA-N 1 0 355.360 2.380 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H](C)[C@@H](C)c2ccccc2)CC1 ZINC000286661592 551911882 /nfs/dbraw/zinc/91/18/82/551911882.db2.gz NXCGVWMKDATEIR-IAGOWNOFSA-N 1 0 357.498 2.452 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@H](C)C[C@@H]2c2ccco2)CC1 ZINC000286824988 551930050 /nfs/dbraw/zinc/93/00/50/551930050.db2.gz WSSLQJYFJOBNRO-DOTOQJQBSA-N 1 0 359.470 2.346 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N(Cc2ccc(C#N)cc2)C(C)C)CC1 ZINC000286830339 551930845 /nfs/dbraw/zinc/93/08/45/551930845.db2.gz XDKCEAUTADIPRM-UHFFFAOYSA-N 1 0 368.481 2.062 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N(C)Cc2nc3ccccc3s2)CC1 ZINC000286866268 551934783 /nfs/dbraw/zinc/93/47/83/551934783.db2.gz ZWLBTTDAFWOGAO-UHFFFAOYSA-N 1 0 372.494 2.021 20 30 FEEDRO C=CCN(CC=C)C(=O)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000286976877 551947077 /nfs/dbraw/zinc/94/70/77/551947077.db2.gz HDWDLIVDWXFKRK-UHFFFAOYSA-N 1 0 361.511 2.277 20 30 FEEDRO C=CCOc1ccc(CNC(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cc1 ZINC000287071586 551959880 /nfs/dbraw/zinc/95/98/80/551959880.db2.gz VALYIWRGPWZDBL-PMACEKPBSA-N 1 0 373.497 2.428 20 30 FEEDRO COc1ccc(CN2CC[C@H]([NH2+][C@H]3CCC[C@@H](C#N)C3)C2=O)c(OC)c1 ZINC000287155822 551970158 /nfs/dbraw/zinc/97/01/58/551970158.db2.gz SWQGQGNOWAVXKF-HFTRVMKXSA-N 1 0 357.454 2.477 20 30 FEEDRO N#Cc1ccc(CN2CC[C@H]([NH2+][C@H]3CCO[C@@H](C(F)(F)F)C3)C2=O)cc1 ZINC000287895108 552060226 /nfs/dbraw/zinc/06/02/26/552060226.db2.gz ZGGWJJLHWSUQRZ-HRCADAONSA-N 1 0 367.371 2.359 20 30 FEEDRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)c2cc(C#N)ccn2)c1 ZINC000288256756 552120492 /nfs/dbraw/zinc/12/04/92/552120492.db2.gz PHUNPDKKBUVRKG-UHFFFAOYSA-N 1 0 351.410 2.486 20 30 FEEDRO C=CCN1CC[C@@H](N(CCO)Cc2cccc(Br)c2)C1=O ZINC000499717306 561556820 /nfs/dbraw/zinc/55/68/20/561556820.db2.gz FGGHTEQCMZHKKG-OAHLLOKOSA-N 1 0 353.260 2.030 20 30 FEEDRO C=CC[C@H](CC)NC(=O)C(=O)Nc1cccc(NC(=O)C[NH+](CC)CC)c1 ZINC000288510629 552166173 /nfs/dbraw/zinc/16/61/73/552166173.db2.gz UBJJRQJKDPVGML-HNNXBMFYSA-N 1 0 374.485 2.376 20 30 FEEDRO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CC[C@@](CO)(Cc2ccc(F)cc2)C1 ZINC000288788706 552213071 /nfs/dbraw/zinc/21/30/71/552213071.db2.gz KZSABNRVRRSVDB-OXQOHEQNSA-N 1 0 361.461 2.061 20 30 FEEDRO Cc1onc(CC(=O)Nc2cccc(C[NH+]3CCC(CO)CC3)c2)c1C#N ZINC000500172197 561567197 /nfs/dbraw/zinc/56/71/97/561567197.db2.gz MFHQNGYSVMKJFT-UHFFFAOYSA-N 1 0 368.437 2.240 20 30 FEEDRO C=CCn1c(-c2ccc[nH]2)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000289526683 552335672 /nfs/dbraw/zinc/33/56/72/552335672.db2.gz CTJGMNQWRKMDJX-MRXNPFEDSA-N 1 0 356.474 2.008 20 30 FEEDRO C=CCN(C)C(=O)C(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000289532842 552336547 /nfs/dbraw/zinc/33/65/47/552336547.db2.gz DXGKHCLHNVHLMY-XJKSGUPXSA-N 1 0 367.852 2.233 20 30 FEEDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NS(=O)(=O)c1cncc(C#N)c1 ZINC000289629929 552352309 /nfs/dbraw/zinc/35/23/09/552352309.db2.gz ZPRUDNQACSOQOD-HNAYVOBHSA-N 1 0 370.478 2.142 20 30 FEEDRO CCS[C@H]1CCCC[C@@H]1[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000289630861 552352551 /nfs/dbraw/zinc/35/25/51/552352551.db2.gz BNXLKPPRAUBLES-GJZGRUSLSA-N 1 0 353.513 2.381 20 30 FEEDRO C=CCn1c(-c2cccn2C)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000290045398 552419050 /nfs/dbraw/zinc/41/90/50/552419050.db2.gz AUGAIZZAHAPSEE-QGZVFWFLSA-N 1 0 370.501 2.018 20 30 FEEDRO CC[N@@H+]1CC[C@@H](N(C)c2nnc(COc3ccc(C#N)cc3)n2C)[C@@H](C)C1 ZINC000290321844 552460281 /nfs/dbraw/zinc/46/02/81/552460281.db2.gz ZOFXRWOUKUCQEK-MAUKXSAKSA-N 1 0 368.485 2.432 20 30 FEEDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)C(=O)Nc1ccccc1O[C@H](C)C#N ZINC000290497744 552488440 /nfs/dbraw/zinc/48/84/40/552488440.db2.gz UJWIWHYYGDWFBD-HUUCEWRRSA-N 1 0 360.458 2.153 20 30 FEEDRO C=C[C@H](CO)NC(=O)Nc1cc(Cl)ccc1N1CC[NH+](CC)CC1 ZINC000290502834 552489401 /nfs/dbraw/zinc/48/94/01/552489401.db2.gz SFJLTDSEEJEBFC-CQSZACIVSA-N 1 0 352.866 2.150 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CCCc2ccc(S(N)(=O)=O)cc21 ZINC000290808064 552541862 /nfs/dbraw/zinc/54/18/62/552541862.db2.gz WBANVEHXDDTUHO-OLMNPRSZSA-N 1 0 350.484 2.282 20 30 FEEDRO C=CCN(CC=C)C(=O)[C@H](C)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000501116440 561590463 /nfs/dbraw/zinc/59/04/63/561590463.db2.gz RQUKYDDCSGVQFB-UFYCRDLUSA-N 1 0 362.562 2.066 20 30 FEEDRO C=CCN(C[C@H](O)c1ccc(C(F)(F)F)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000291178952 552596730 /nfs/dbraw/zinc/59/67/30/552596730.db2.gz NZWLDMPZBADBDJ-GJZGRUSLSA-N 1 0 363.401 2.414 20 30 FEEDRO CC1CC[NH+](CCCNC(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)CC1 ZINC000291727657 552655253 /nfs/dbraw/zinc/65/52/53/552655253.db2.gz RGWOKFHKHGBKSH-GOSISDBHSA-N 1 0 371.485 2.238 20 30 FEEDRO CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000291742714 552657135 /nfs/dbraw/zinc/65/71/35/552657135.db2.gz YWBNVAMASZNZKF-IRXDYDNUSA-N 1 0 359.474 2.092 20 30 FEEDRO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3cc(=O)oc4cc(O)ccc34)C2)nc1 ZINC000292272554 552710997 /nfs/dbraw/zinc/71/09/97/552710997.db2.gz SGYZJRAXOJQEFJ-INIZCTEOSA-N 1 0 363.373 2.419 20 30 FEEDRO N#Cc1ccc(O[C@@H]2CC[N@@H+](C[C@@H](O)COCc3cccs3)C2)nc1 ZINC000292375440 552720905 /nfs/dbraw/zinc/72/09/05/552720905.db2.gz YWBXTHOQEMDWLK-HZPDHXFCSA-N 1 0 359.451 2.046 20 30 FEEDRO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+]CCOCCC#N)cc1 ZINC000292686984 552749404 /nfs/dbraw/zinc/74/94/04/552749404.db2.gz CGOCRNODWGRQJN-OAHLLOKOSA-N 1 0 353.488 2.298 20 30 FEEDRO C=C(C)Cn1c([C@H](C)CC)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000292857806 552765573 /nfs/dbraw/zinc/76/55/73/552765573.db2.gz GPPLLIZSSYOLEV-SJORKVTESA-N 1 0 374.533 2.111 20 30 FEEDRO C=CCC[C@@H](O)C[N@@H+](CC)C[C@@H](O)COc1ccc(CCOC)cc1 ZINC000292916198 552771004 /nfs/dbraw/zinc/77/10/04/552771004.db2.gz HTWOMLAVGRYYBL-RTBURBONSA-N 1 0 351.487 2.264 20 30 FEEDRO CC1(C)CC(NC(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)CC(C)(C)[NH2+]1 ZINC000292939868 552772848 /nfs/dbraw/zinc/77/28/48/552772848.db2.gz PDWRKQNURKYFCG-MRXNPFEDSA-N 1 0 371.485 2.425 20 30 FEEDRO CCNC(=O)[C@@H]([NH2+]CC(=O)N(CCC#N)c1cc(C)cc(C)c1)C(C)C ZINC000293256849 552804022 /nfs/dbraw/zinc/80/40/22/552804022.db2.gz MJSKCDYMWFFGBW-IBGZPJMESA-N 1 0 358.486 2.300 20 30 FEEDRO C=CCC(C)(C)CNC(=O)C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1 ZINC000293308928 552810013 /nfs/dbraw/zinc/81/00/13/552810013.db2.gz IKYJWPKOXJYRID-UHFFFAOYSA-N 1 0 372.513 2.486 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)c1ccc(=O)n(Cc2ccccc2Cl)c1 ZINC000293879848 552864879 /nfs/dbraw/zinc/86/48/79/552864879.db2.gz COAUKCOHGRKPMI-UHFFFAOYSA-N 1 0 371.868 2.235 20 30 FEEDRO C[NH+](C)CCNC(=O)c1ccc(CNC(=O)[C@@]2(C#N)CC23CCCC3)cc1 ZINC000294611416 552920445 /nfs/dbraw/zinc/92/04/45/552920445.db2.gz MYPDICMAGFEBGJ-NRFANRHFSA-N 1 0 368.481 2.068 20 30 FEEDRO N#Cc1cccc(OCCCCC(=O)N[C@H]2CCC[N@@H+](CCCO)C2)c1 ZINC000295384066 552997740 /nfs/dbraw/zinc/99/77/40/552997740.db2.gz HDAJTWKOQMWPOV-SFHVURJKSA-N 1 0 359.470 2.070 20 30 FEEDRO N#C[C@]1(C(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)CC12CCCC2 ZINC000295721259 553049795 /nfs/dbraw/zinc/04/97/95/553049795.db2.gz UHLPLUINPDKFHO-RXVVDRJESA-N 1 0 353.466 2.343 20 30 FEEDRO C=CCc1ccc(OCC(=O)N2CCO[C@@H]3CC[N@@H+](CC)C[C@@H]32)c(OC)c1 ZINC000502701284 561623637 /nfs/dbraw/zinc/62/36/37/561623637.db2.gz URNAUXYRVRYIEJ-ZWKOTPCHSA-N 1 0 374.481 2.124 20 30 FEEDRO N#CC[C@@H]1CC[C@H](NC(=O)C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)C1 ZINC000296444791 553161326 /nfs/dbraw/zinc/16/13/26/553161326.db2.gz HJQHDQMBIALXLP-HKUYNNGSSA-N 1 0 368.481 2.462 20 30 FEEDRO C#CCCOc1ccc(C(=O)Nc2ccc(=O)n(CC[NH+](C)C)c2)cc1 ZINC000296595265 553184709 /nfs/dbraw/zinc/18/47/09/553184709.db2.gz SJBLGBCXYSVBOP-UHFFFAOYSA-N 1 0 353.422 2.064 20 30 FEEDRO Cc1ccc(N(CCC#N)C(=O)CN2CC[C@H](OC(=O)N(C)C)C2)cc1C ZINC000296600399 553185513 /nfs/dbraw/zinc/18/55/13/553185513.db2.gz GBQSKDYTBOMWDJ-SFHVURJKSA-N 1 0 372.469 2.323 20 30 FEEDRO C#CC[N@@H+](C)CCCNC(=O)N[C@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000296889386 553225681 /nfs/dbraw/zinc/22/56/81/553225681.db2.gz MFIWJJDAVYTQOP-OAHLLOKOSA-N 1 0 371.485 2.286 20 30 FEEDRO C#Cc1ccc(CNC(=O)NCc2ccncc2OCCC[NH+](C)C)cc1 ZINC000297117271 553255136 /nfs/dbraw/zinc/25/51/36/553255136.db2.gz OUTIUKOHGGUHRA-UHFFFAOYSA-N 1 0 366.465 2.393 20 30 FEEDRO CCCN(CC[NH+](CC)CC)C(=O)C(=O)N(C)Cc1cccc(C#N)c1 ZINC000297585825 553311967 /nfs/dbraw/zinc/31/19/67/553311967.db2.gz BZFUMWXDTWMUCW-UHFFFAOYSA-N 1 0 358.486 2.097 20 30 FEEDRO CN1CC[C@@H]([NH+]2CCC(Nc3ncc(C#N)c4ccsc43)CC2)C1=O ZINC000601178125 553356946 /nfs/dbraw/zinc/35/69/46/553356946.db2.gz LYRHVBXBOROXLF-OAHLLOKOSA-N 1 0 355.467 2.275 20 30 FEEDRO CC(C)C[C@H](Nc1cc(C#N)nc(C2CC2)n1)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000601192062 553358319 /nfs/dbraw/zinc/35/83/19/553358319.db2.gz QDZMYUVAXVBFIB-SJORKVTESA-N 1 0 370.501 2.215 20 30 FEEDRO CCNC(=O)[C@@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCC2)C(C)C ZINC000298055970 553378201 /nfs/dbraw/zinc/37/82/01/553378201.db2.gz FVQCUGAGDYNUOF-INIZCTEOSA-N 1 0 362.499 2.187 20 30 FEEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CCC([NH2+]C(C)C)CC1 ZINC000298494153 553431831 /nfs/dbraw/zinc/43/18/31/553431831.db2.gz YCHSKORSPUGGAQ-UHFFFAOYSA-N 1 0 370.497 2.286 20 30 FEEDRO N#Cc1ccc(CNC(=O)CN2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000298496763 553432610 /nfs/dbraw/zinc/43/26/10/553432610.db2.gz ZEXZYFQTQMHTDG-UHFFFAOYSA-N 1 0 362.477 2.035 20 30 FEEDRO N#Cc1ccccc1NC(=O)CC[NH2+][C@@]1(CO)CCOc2ccccc21 ZINC000298633502 553451919 /nfs/dbraw/zinc/45/19/19/553451919.db2.gz WAGXOSQOJYOIPU-HXUWFJFHSA-N 1 0 351.406 2.147 20 30 FEEDRO N#Cc1ccccc1N1CCCN(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000298726310 553464448 /nfs/dbraw/zinc/46/44/48/553464448.db2.gz KIRXYDGUPVNUDH-ICSRJNTNSA-N 1 0 367.497 2.407 20 30 FEEDRO CC(C)[C@@H](CNC(=O)N[C@H](C)c1ccc(C#N)cc1)[NH+]1CCN(C)CC1 ZINC000298766661 553470289 /nfs/dbraw/zinc/47/02/89/553470289.db2.gz ZIHGRGWECWZOOY-VQIMIIECSA-N 1 0 357.502 2.190 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N2CCN(Cc3ccc(OCC)cc3)CC2)CC1 ZINC000299045585 553507898 /nfs/dbraw/zinc/50/78/98/553507898.db2.gz NHFGZNNGWSZUTJ-UHFFFAOYSA-N 1 0 369.509 2.075 20 30 FEEDRO N#Cc1ccc(CN2CCN(C(=O)N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000504303840 561655954 /nfs/dbraw/zinc/65/59/54/561655954.db2.gz VSPNLOIRQSZWPO-VQTJNVASSA-N 1 0 367.497 2.012 20 30 FEEDRO CC(C)c1nc(N(C)C)nc(N2CCCN(c3ncccc3C#N)CC2)n1 ZINC000302004372 553697341 /nfs/dbraw/zinc/69/73/41/553697341.db2.gz RYXKIFUUBBYPIA-UHFFFAOYSA-N 1 0 366.473 2.044 20 30 FEEDRO Cc1cc(NC(=O)NCC2([NH+]3CCCCC3)CCN(C)CC2)ncc1C#N ZINC000603117419 553711835 /nfs/dbraw/zinc/71/18/35/553711835.db2.gz DTHBXHHLKNVWHI-UHFFFAOYSA-N 1 0 370.501 2.334 20 30 FEEDRO [NH2+]=C(NCCCc1nnc2n1CCCCC2)N[C@@H]1CCOc2ccccc21 ZINC000304480648 553747403 /nfs/dbraw/zinc/74/74/03/553747403.db2.gz IGBUEMUILMXMID-MRXNPFEDSA-N 1 0 368.485 2.365 20 30 FEEDRO C[C@H]1[C@H](NS(=O)(=O)c2ccccc2C#N)CC[N@@H+]1Cc1ccccc1 ZINC000310778474 553754293 /nfs/dbraw/zinc/75/42/93/553754293.db2.gz OGQXOJRRJUCKKE-MAUKXSAKSA-N 1 0 355.463 2.500 20 30 FEEDRO CN(CCC[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)Cc1ccccc1 ZINC000311257104 553754962 /nfs/dbraw/zinc/75/49/62/553754962.db2.gz CPKOYQVWURRGSU-UHFFFAOYSA-N 1 0 371.506 2.444 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2CC[C@H]([NH+]3CCCCC3)C2)c(Cl)c1 ZINC000321855181 553767481 /nfs/dbraw/zinc/76/74/81/553767481.db2.gz LCAMQIMQQYEZOJ-AWEZNQCLSA-N 1 0 353.875 2.461 20 30 FEEDRO CO[C@H]1C[C@H](C(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)N(C(C)=O)C1 ZINC000328619767 553797466 /nfs/dbraw/zinc/79/74/66/553797466.db2.gz WGXKVASZXKFFAD-OKZBNKHCSA-N 1 0 351.491 2.376 20 30 FEEDRO CC1CC[NH+](C2CCC(NC(=O)N3CCN(C4CC4)C(=O)C3)CC2)CC1 ZINC000328636783 553800137 /nfs/dbraw/zinc/80/01/37/553800137.db2.gz AMFBXGGOXAQMRM-UHFFFAOYSA-N 1 0 362.518 2.250 20 30 FEEDRO O=C(N[C@@H]1CCOC2(CCC2)C1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000328685294 553807265 /nfs/dbraw/zinc/80/72/65/553807265.db2.gz FNZICYHNCDFXTA-IAGOWNOFSA-N 1 0 351.491 2.046 20 30 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/nfs/dbraw/zinc/88/00/36/553880036.db2.gz YSRNCSPUDOMJAZ-KBPBESRZSA-N 1 0 366.462 2.209 20 30 FEEDRO O=C(CN1CCC[C@](O)(C(=O)N2CCCC2)C1)NCCC1=CCCCC1 ZINC000329114149 553882734 /nfs/dbraw/zinc/88/27/34/553882734.db2.gz HNYXHBBIWUTZIZ-HXUWFJFHSA-N 1 0 363.502 2.283 20 30 FEEDRO CC(C)N1C(=O)N[C@@H]2CN(C(=O)NC[C@@H](C)[NH+]3CCC(C)CC3)CC[C@@H]21 ZINC000329147145 553889204 /nfs/dbraw/zinc/88/92/04/553889204.db2.gz XOULXDYBFNJJGL-ZACQAIPSSA-N 1 0 365.522 2.102 20 30 FEEDRO CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)N[C@@H]2CCOC3(CCC3)C2)C1 ZINC000329193071 553899320 /nfs/dbraw/zinc/89/93/20/553899320.db2.gz RHZXURUCRBTGJS-IKGGRYGDSA-N 1 0 351.491 2.187 20 30 FEEDRO CN1CC[C@H]([NH+]2CCC(NC(=O)COc3ccc(Cl)cc3)CC2)C1=O ZINC000329194473 553900008 /nfs/dbraw/zinc/90/00/08/553900008.db2.gz SYBRWHGPFZHEIQ-INIZCTEOSA-N 1 0 365.861 2.370 20 30 FEEDRO C[C@H](NC(=O)N1CCC[C@@H]1C[C@]1(C)NC(=O)NC1=O)C1=CC[N@H+](C)CC1 ZINC000329250494 553910936 /nfs/dbraw/zinc/91/09/36/553910936.db2.gz BAQBNUNRUPCPPT-WRSAYESZSA-N 1 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350.507 2.300 20 30 FEEDRO N#Cc1ccc(N2CCC[C@@H]([N@@H+]3CCC[C@@H](c4nnc[nH]4)C3)C2=O)cc1 ZINC000329468900 553952675 /nfs/dbraw/zinc/95/26/75/553952675.db2.gz XRJFOKSYGYOBDV-NVXWUHKLSA-N 1 0 350.426 2.051 20 30 FEEDRO CCCC(=O)N1CSC[C@@H]1C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000329610928 553976521 /nfs/dbraw/zinc/97/65/21/553976521.db2.gz RFKNGAOYQRULCV-GDBMZVCRSA-N 1 0 369.531 2.145 20 30 FEEDRO CCC[NH+]1CCC(CNC(=O)N[C@@H]2CCCN(c3ccc(C)nn3)C2)CC1 ZINC000329634580 553980238 /nfs/dbraw/zinc/98/02/38/553980238.db2.gz XPBFUHIXQXUFTP-GOSISDBHSA-N 1 0 374.533 2.379 20 30 FEEDRO CC[NH+]1CCN(c2ccccc2NC(=O)N2C[C@@H]3CC[C@H](O)[C@@H]3C2)CC1 ZINC000329669716 553986097 /nfs/dbraw/zinc/98/60/97/553986097.db2.gz SOPBAJPZXGVUKB-FCEWJHQRSA-N 1 0 358.486 2.077 20 30 FEEDRO CC(C)N1CCN(C(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)CC1=O ZINC000329689508 553989176 /nfs/dbraw/zinc/98/91/76/553989176.db2.gz BEKCVNRQFVMSLH-JKSUJKDBSA-N 1 0 350.507 2.106 20 30 FEEDRO 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FEEDRO C=CCCOCCNC(=O)NCCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000363450256 555108537 /nfs/dbraw/zinc/10/85/37/555108537.db2.gz PRJCUZCIFDMFQA-UHFFFAOYSA-N 1 0 366.550 2.075 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CSCN2C(=O)C2CCCC2)CC1 ZINC000363663062 555158209 /nfs/dbraw/zinc/15/82/09/555158209.db2.gz YQDYKWQYWQRFCK-KRWDZBQOSA-N 1 0 365.543 2.235 20 30 FEEDRO C[N@@H+]1CCCN(CCCNc2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000615493785 555205653 /nfs/dbraw/zinc/20/56/53/555205653.db2.gz UFXZMHQOBMDKRV-UHFFFAOYSA-N 1 0 368.441 2.454 20 30 FEEDRO CCc1nc(CN2CCC[C@@H]([N@H+](C)CCOc3ccc(C#N)cc3)C2)no1 ZINC000364108281 555250991 /nfs/dbraw/zinc/25/09/91/555250991.db2.gz PAVQLPZEOZYMKG-QGZVFWFLSA-N 1 0 369.469 2.479 20 30 FEEDRO CC(C)(O)C[N@@H+]1CCCN(C(=O)CCCCOc2cccc(C#N)c2)CC1 ZINC000364618657 555354370 /nfs/dbraw/zinc/35/43/70/555354370.db2.gz YPDBECMCSPHCDO-UHFFFAOYSA-N 1 0 373.497 2.413 20 30 FEEDRO C=CCc1cc(C(=O)N2CCN([C@H]3CCC[C@@H]3O)CC2)cc(OC)c1OC ZINC000364742406 555391331 /nfs/dbraw/zinc/39/13/31/555391331.db2.gz KVNJMMIOPILSNE-ROUUACIJSA-N 1 0 374.481 2.104 20 30 FEEDRO Cc1nc(C(=O)Nc2ccnc(OC3CC[NH+](C)CC3)c2)ccc1C#N ZINC000365041394 555471756 /nfs/dbraw/zinc/47/17/56/555471756.db2.gz NQKCXCGYUWKWJR-UHFFFAOYSA-N 1 0 351.410 2.382 20 30 FEEDRO C=CCOc1ccc(C[NH2+]C[C@H]2CCCC[C@H]2NS(C)(=O)=O)cc1 ZINC000512861142 561918217 /nfs/dbraw/zinc/91/82/17/561918217.db2.gz NGLVUHOKJBFKTJ-SJLPKXTDSA-N 1 0 352.500 2.449 20 30 FEEDRO CC(C)(CCC#N)CNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000513112935 561925934 /nfs/dbraw/zinc/92/59/34/561925934.db2.gz HMNCFNBFBVRWLY-RTBURBONSA-N 1 0 372.513 2.499 20 30 FEEDRO COc1cc(C#N)ccc1OCC[N@H+](C)C1CCN(c2ncccn2)CC1 ZINC000365819207 555674806 /nfs/dbraw/zinc/67/48/06/555674806.db2.gz FGDSEDGEIUNLGM-UHFFFAOYSA-N 1 0 367.453 2.336 20 30 FEEDRO CN(Cc1cccc(C#N)c1)C(=O)N=c1ccn(C2CC[NH+](C)CC2)[nH]1 ZINC000365869030 555687825 /nfs/dbraw/zinc/68/78/25/555687825.db2.gz DGLQUSOUQNSYCE-UHFFFAOYSA-N 1 0 352.442 2.685 20 30 FEEDRO N#Cc1ccc(Cl)cc1NC(=O)CN1CC[NH+]([C@H]2CCSC2)CC1 ZINC000365893911 555694523 /nfs/dbraw/zinc/69/45/23/555694523.db2.gz RBNBLYPHFMFNGO-HNNXBMFYSA-N 1 0 364.902 2.273 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@@](CO)(c3ccccc3)C2)CC1 ZINC000365959487 555711650 /nfs/dbraw/zinc/71/16/50/555711650.db2.gz HOHAUNJLGSHMGD-OAQYLSRUSA-N 1 0 357.498 2.373 20 30 FEEDRO N#Cc1c(NC(=O)CC[N@H+]2C[C@H]3[C@H](CO)[C@H]3C2)sc2c1CCCCC2 ZINC000366437179 555843050 /nfs/dbraw/zinc/84/30/50/555843050.db2.gz MGPPYVIPFQUFLK-ZSHCYNCHSA-N 1 0 359.495 2.387 20 30 FEEDRO N#Cc1cccc(CCNC(=O)c2cnn(CC[NH+]3CCCCC3)c2)c1 ZINC000366949784 555979980 /nfs/dbraw/zinc/97/99/80/555979980.db2.gz DIEVDGYJBSTMRJ-UHFFFAOYSA-N 1 0 351.454 2.213 20 30 FEEDRO C#Cc1ccc(C[NH2+]C[C@@H]2CC(=O)N(C)[C@H]2c2c(C)nn(C)c2C)cc1 ZINC000367309681 556014966 /nfs/dbraw/zinc/01/49/66/556014966.db2.gz XWMMPQGOYRNTJG-GHTZIAJQSA-N 1 0 350.466 2.327 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)[C@@H]2CCC(=O)N(c3ccccc3OC)C2)CC1 ZINC000367359914 556027949 /nfs/dbraw/zinc/02/79/49/556027949.db2.gz CTLGMHWBUCIGFE-MRXNPFEDSA-N 1 0 371.481 2.205 20 30 FEEDRO CC(C)[C@H](CNC(=O)[C@@]1(C#N)CCc2ccccc2C1)[NH+]1CCN(C)CC1 ZINC000367571758 556086231 /nfs/dbraw/zinc/08/62/31/556086231.db2.gz XYNIJQDKMXAPOL-UNMCSNQZSA-N 1 0 368.525 2.073 20 30 FEEDRO N#Cc1c(F)ccc(C[NH2+][C@@H]2CCC(=O)N[C@H]2[C@@H]2CCCO2)c1Cl ZINC000368082775 556213475 /nfs/dbraw/zinc/21/34/75/556213475.db2.gz ZOYLSXKUYBBGDH-JKIFEVAISA-N 1 0 351.809 2.267 20 30 FEEDRO CCOCCCNC(NCc1ccc(OC)cc1)=[NH+]CC1[C@H]2COC[C@@H]12 ZINC000368489446 556324850 /nfs/dbraw/zinc/32/48/50/556324850.db2.gz AVHWYXZRNSWTCJ-YQQQUEKLSA-N 1 0 361.486 2.049 20 30 FEEDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H](O)COc1ccc(C#N)cc1 ZINC000515415945 562009843 /nfs/dbraw/zinc/00/98/43/562009843.db2.gz YVLGUHATEFNESC-MRXNPFEDSA-N 1 0 357.366 2.005 20 30 FEEDRO COc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)cc1OCCCC#N ZINC000368976607 556465353 /nfs/dbraw/zinc/46/53/53/556465353.db2.gz XTCSNDAIHJFERV-BXWFABGCSA-N 1 0 357.454 2.464 20 30 FEEDRO COc1cc(C#N)ccc1OCC[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369015888 556477412 /nfs/dbraw/zinc/47/74/12/556477412.db2.gz HEHGVCGVLCXJAS-OAHLLOKOSA-N 1 0 371.397 2.387 20 30 FEEDRO C[N@@H+]1CCC[C@@]2(CCN(S(=O)(=O)c3ccc(C#N)cc3Cl)C2)C1 ZINC000515875432 562024404 /nfs/dbraw/zinc/02/44/04/562024404.db2.gz ZSIOYENQKISAJP-MRXNPFEDSA-N 1 0 353.875 2.318 20 30 FEEDRO CCc1nnc(N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)c(C#N)c1CC ZINC000369391389 556588449 /nfs/dbraw/zinc/58/84/49/556588449.db2.gz MJQZIKCCKFJKOD-UHFFFAOYSA-N 1 0 370.545 2.327 20 30 FEEDRO Cc1ccc(NC(=O)CC[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)nc1 ZINC000516172154 562033730 /nfs/dbraw/zinc/03/37/30/562033730.db2.gz GSEOQQYCGICYQY-INIZCTEOSA-N 1 0 351.410 2.139 20 30 FEEDRO C[C@@H](CO)[N@@H+]1CCCN(C(=O)c2cn(CCCC#N)c3ccccc23)CC1 ZINC000369732081 556680123 /nfs/dbraw/zinc/68/01/23/556680123.db2.gz MTPLVRGOFXRKGC-KRWDZBQOSA-N 1 0 368.481 2.474 20 30 FEEDRO COCCC[N@@H+]1CCCN([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)CC1 ZINC000369904096 556725859 /nfs/dbraw/zinc/72/58/59/556725859.db2.gz HMQKEWUYVPLEMT-OAHLLOKOSA-N 1 0 362.474 2.139 20 30 FEEDRO Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N3CCC[C@@H]([NH+](C)C)C3)C2)n1 ZINC000369935753 556735071 /nfs/dbraw/zinc/73/50/71/556735071.db2.gz JIWYRLADANLQNL-ZWKOTPCHSA-N 1 0 355.486 2.031 20 30 FEEDRO C=CCC[C@H](O)C[N@H+]1CCCN(Cc2nc([C@H](C)OCC)no2)CC1 ZINC000370494442 556889614 /nfs/dbraw/zinc/88/96/14/556889614.db2.gz DRKXSFREHJHDTF-HOTGVXAUSA-N 1 0 352.479 2.002 20 30 FEEDRO O=C(C[NH2+][C@H]1CCO[C@H]1C1CC1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000370667440 556934960 /nfs/dbraw/zinc/93/49/60/556934960.db2.gz MKAOYGMBAZCYKG-WMZOPIPTSA-N 1 0 366.383 2.330 20 30 FEEDRO C[C@@H](NS(=O)(=O)c1ccc(C#N)o1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000370668174 556935778 /nfs/dbraw/zinc/93/57/78/556935778.db2.gz UAVYQKYSVKFQPV-ZBFHGGJFSA-N 1 0 359.451 2.340 20 30 FEEDRO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCC(C(=O)Nc2cccnc2)CC1 ZINC000370753892 556958167 /nfs/dbraw/zinc/95/81/67/556958167.db2.gz MXYMAPTUJAVLSX-INIZCTEOSA-N 1 0 356.470 2.321 20 30 FEEDRO N#C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)CCN1C1CC1 ZINC000370990706 557038253 /nfs/dbraw/zinc/03/82/53/557038253.db2.gz IGVNHTFQZUOUPE-FXAWDEMLSA-N 1 0 370.472 2.236 20 30 FEEDRO Cc1cccc(S(=O)(=O)N2C[C@H](C[NH+](C)C)Oc3ccccc32)c1C#N ZINC000371000569 557041275 /nfs/dbraw/zinc/04/12/75/557041275.db2.gz WKJWBHLZQDEMPB-HNNXBMFYSA-N 1 0 371.462 2.385 20 30 FEEDRO C=CCN1C(=O)c2ccc(C(=O)N3CCCC[C@@H]3C[NH+](C)C)cc2C1=O ZINC000517082224 562075157 /nfs/dbraw/zinc/07/51/57/562075157.db2.gz WKVQIELAINMYKO-OAHLLOKOSA-N 1 0 355.438 2.025 20 30 FEEDRO Cc1cccn2c(CN3C[C@H](C#N)[C@]4(C3)c3ccccc3NC4=O)cnc12 ZINC000371454637 557190279 /nfs/dbraw/zinc/19/02/79/557190279.db2.gz AUTBFIPRXQHJES-YCRPNKLZSA-N 1 0 357.417 2.488 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2cccc(NC(=O)COC)c2)CC1 ZINC000517994226 562102288 /nfs/dbraw/zinc/10/22/88/562102288.db2.gz NMMCSBKZMYVSRZ-UHFFFAOYSA-N 1 0 374.485 2.111 20 30 FEEDRO Cc1sc2nc(CCC(=O)NC3(C#N)CC[NH+](C)CC3)[nH]c(=O)c2c1C ZINC000518300074 562108180 /nfs/dbraw/zinc/10/81/80/562108180.db2.gz KBDTUIQCOWCELY-UHFFFAOYSA-N 1 0 373.482 2.051 20 30 FEEDRO C[C@@H]1C[C@@]1(C#N)C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000518689018 562116488 /nfs/dbraw/zinc/11/64/88/562116488.db2.gz GJIGYYGCZZFYNM-ZTQAJYAQSA-N 1 0 354.454 2.341 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N2CCC(c3noc(C4CC4)n3)CC2)CC1 ZINC000372076636 557373586 /nfs/dbraw/zinc/37/35/86/557373586.db2.gz BUPHVJQGYPALSB-UHFFFAOYSA-N 1 0 359.474 2.486 20 30 FEEDRO N#Cc1cccc(NC(=O)C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)n1 ZINC000519153422 562126084 /nfs/dbraw/zinc/12/60/84/562126084.db2.gz VSQNAWBEMPUYDA-UHFFFAOYSA-N 1 0 363.421 2.169 20 30 FEEDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)C1 ZINC000519318216 562129175 /nfs/dbraw/zinc/12/91/75/562129175.db2.gz ZULVGMGPEMHTNR-HNNXBMFYSA-N 1 0 356.470 2.273 20 30 FEEDRO C[C@H](C(=O)N1CCCN(c2ncccc2C#N)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000372553501 557502744 /nfs/dbraw/zinc/50/27/44/557502744.db2.gz PYCCJDFMSPOCGW-BRWVUGGUSA-N 1 0 355.486 2.253 20 30 FEEDRO Cc1nc(C#N)c(N2CCN(C(=O)C[NH2+][C@@]3(C)CCCC[C@H]3C)CC2)o1 ZINC000519586730 562135815 /nfs/dbraw/zinc/13/58/15/562135815.db2.gz RVHGILDFWQMCRX-KUHUBIRLSA-N 1 0 359.474 2.062 20 30 FEEDRO CC(C)[C@](C)(C#N)NC(=O)CN(C)C1CC[NH+](Cc2ccncc2)CC1 ZINC000372582530 557511853 /nfs/dbraw/zinc/51/18/53/557511853.db2.gz HKMLPJHXMQJCSQ-FQEVSTJZSA-N 1 0 357.502 2.032 20 30 FEEDRO CC(C)Oc1ccc(NC(=O)N2CCC[N@@H+]([C@H](C)CO)CC2)cc1C#N ZINC000372721614 557546924 /nfs/dbraw/zinc/54/69/24/557546924.db2.gz XYHJEXSDUSNNCG-OAHLLOKOSA-N 1 0 360.458 2.266 20 30 FEEDRO C=C(C)[C@H]1OCC[C@H]1C(=O)NCC1([NH+]2CCN(C)CC2)CCCCCC1 ZINC000373322650 557672426 /nfs/dbraw/zinc/67/24/26/557672426.db2.gz WCLOXDMATGNIEQ-RTBURBONSA-N 1 0 363.546 2.424 20 30 FEEDRO C[C@@H](CNC(=O)[C@H](C)[NH+]1CCC(n2cnc(C#N)n2)CC1)c1ccccc1 ZINC000373400993 557687028 /nfs/dbraw/zinc/68/70/28/557687028.db2.gz UGYKIIDCRGERIX-HOTGVXAUSA-N 1 0 366.469 2.095 20 30 FEEDRO CCC[NH+](CCC)CCCNC(=O)N1CCC(n2cnc(C#N)n2)CC1 ZINC000373451495 557696366 /nfs/dbraw/zinc/69/63/66/557696366.db2.gz DLPSQPWWPVFJJR-UHFFFAOYSA-N 1 0 361.494 2.008 20 30 FEEDRO CC(C)[NH2+]CCCNC(=O)C(=O)Nc1scc(C(C)(C)C)c1C#N ZINC000520370345 562154572 /nfs/dbraw/zinc/15/45/72/562154572.db2.gz CQQIHBHUTFONNV-UHFFFAOYSA-N 1 0 350.488 2.360 20 30 FEEDRO C=C[C@@](C)(CCOC)C(=O)N1CCN(C2CC[NH+](CCC)CC2)CC1 ZINC000373678869 557737302 /nfs/dbraw/zinc/73/73/02/557737302.db2.gz FSPUJFWDNHNPNQ-FQEVSTJZSA-N 1 0 351.535 2.234 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CC[C@@H](C(=O)N3CCCC3)C2)CC1 ZINC000373883400 557779955 /nfs/dbraw/zinc/77/99/55/557779955.db2.gz XBTBJONYKWDHDP-AEFFLSMTSA-N 1 0 362.518 2.117 20 30 FEEDRO COc1ccccc1-n1nccc1CN1CCC(n2cnc(C#N)n2)CC1 ZINC000374038186 557811847 /nfs/dbraw/zinc/81/18/47/557811847.db2.gz NPPOEFQXDUKGHA-UHFFFAOYSA-N 1 0 363.425 2.181 20 30 FEEDRO N#CC1(c2ccccn2)CCN([C@@H]2CCN(CC(F)(F)F)C2=O)CC1 ZINC000374291287 557858962 /nfs/dbraw/zinc/85/89/62/557858962.db2.gz JOTMCWGBUPXBME-CYBMUJFWSA-N 1 0 352.360 2.102 20 30 FEEDRO COc1cccc(OCCN2C[C@@H](C#N)[C@]3(C2)c2ccccc2NC3=O)c1 ZINC000374390453 557877410 /nfs/dbraw/zinc/87/74/10/557877410.db2.gz WLMBVWNAIMOFOD-QVKFZJNVSA-N 1 0 363.417 2.419 20 30 FEEDRO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000374403780 557879614 /nfs/dbraw/zinc/87/96/14/557879614.db2.gz VSGUJEAWLGSAOE-HZPDHXFCSA-N 1 0 365.437 2.041 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N2Cc3ccccc3[C@H](C(=O)OCC)C2)CC1 ZINC000374412148 557880654 /nfs/dbraw/zinc/88/06/54/557880654.db2.gz QDEXIEUYSDQTOM-LJQANCHMSA-N 1 0 354.450 2.021 20 30 FEEDRO CC(=O)Nc1c[nH]nc1[C@H]1CCC[N@H+](C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000374827942 557937349 /nfs/dbraw/zinc/93/73/49/557937349.db2.gz ORMWYKJEKNPXTI-FUHWJXTLSA-N 1 0 353.426 2.153 20 30 FEEDRO C=CCN1CC[C@H]([NH2+][C@H]2CCN(C3CC3)[C@H]2c2cccc(OC)c2)C1=O ZINC000374845482 557939832 /nfs/dbraw/zinc/93/98/32/557939832.db2.gz WNSMRPARZLJESR-UFYCRDLUSA-N 1 0 355.482 2.350 20 30 FEEDRO N#Cc1ccc(N2CCCN(Cc3cn(Cc4cccnc4)nn3)CC2)cc1 ZINC000374945044 557954806 /nfs/dbraw/zinc/95/48/06/557954806.db2.gz LJMNUYXELOXTFR-UHFFFAOYSA-N 1 0 373.464 2.305 20 30 FEEDRO C[N@@H+]1CC[C@@H]2CCN(CCC(=O)Nc3sc4c(c3C#N)CCC4)C[C@@H]21 ZINC000375021474 557965662 /nfs/dbraw/zinc/96/56/62/557965662.db2.gz OUCBTEGHWWPHKJ-CJNGLKHVSA-N 1 0 358.511 2.463 20 30 FEEDRO C[C@H](CO)[N@@H+]1CCCN(CC(=O)/C=C2/N(C)c3ccccc3C2(C)C)CC1 ZINC000375482148 558035355 /nfs/dbraw/zinc/03/53/55/558035355.db2.gz HZGCKXMQSNSMDD-AQRZYSDFSA-N 1 0 371.525 2.256 20 30 FEEDRO Cc1ncc(CN2CC[C@H]([NH2+]CCC(=O)N(C)CCC#N)[C@@H](C)C2)s1 ZINC000375509067 558040353 /nfs/dbraw/zinc/04/03/53/558040353.db2.gz KBYAZLDOUJCYEQ-YOEHRIQHSA-N 1 0 363.531 2.014 20 30 FEEDRO N#CC1(CCC[NH+]2CCC(Oc3ccnc(C(N)=O)c3)CC2)CCOCC1 ZINC000375597664 558054890 /nfs/dbraw/zinc/05/48/90/558054890.db2.gz NGMYLWSODDEVOK-UHFFFAOYSA-N 1 0 372.469 2.124 20 30 FEEDRO C=CCN([C@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)c1c(C)cnn1C ZINC000375712220 558071506 /nfs/dbraw/zinc/07/15/06/558071506.db2.gz VSGZJGOMQZVXDF-SFHVURJKSA-N 1 0 374.510 2.180 20 30 FEEDRO C=CCc1ccccc1OC[C@@H](O)C[NH2+]C[C@@H]1CCO[C@H]1c1cnn(C)c1 ZINC000521612456 562180051 /nfs/dbraw/zinc/18/00/51/562180051.db2.gz MKIHIAMMPSAIOH-HFSMHLIXSA-N 1 0 371.481 2.256 20 30 FEEDRO C[C@@H]1C[C@@H](CNS(=O)(=O)c2ccc(C#N)o2)C[N@@H+]1Cc1ccccc1 ZINC000376318757 558157307 /nfs/dbraw/zinc/15/73/07/558157307.db2.gz BERRJIZSPOIIHS-ZBFHGGJFSA-N 1 0 359.451 2.340 20 30 FEEDRO C#CC[C@H](Cc1ccccc1)NC(=O)NC[C@H]1CCC[C@@H]1[NH+]1CCOCC1 ZINC000376328652 558158765 /nfs/dbraw/zinc/15/87/65/558158765.db2.gz UPBRRHJJHKGGRZ-NJYVYQBISA-N 1 0 369.509 2.421 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N2CCn3c(C4CCCC4)nnc3[C@H]2C)CC1 ZINC000377134048 558273553 /nfs/dbraw/zinc/27/35/53/558273553.db2.gz ZFBRVRHEPSASBQ-OAHLLOKOSA-N 1 0 355.486 2.184 20 30 FEEDRO C#Cc1ccc(C[N@H+]2CCC[C@@H](c3n[nH]cc3NS(C)(=O)=O)C2)cc1 ZINC000377710236 558402781 /nfs/dbraw/zinc/40/27/81/558402781.db2.gz WJDSVVYZTHKBLT-MRXNPFEDSA-N 1 0 358.467 2.142 20 30 FEEDRO C[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2cccc(C#N)c2)[C@@H]1c1cccs1 ZINC000377758145 558413349 /nfs/dbraw/zinc/41/33/49/558413349.db2.gz BIJKNKFDYRSMCU-WMLDXEAASA-N 1 0 368.462 2.367 20 30 FEEDRO C[NH+]1CCC2(CCCN2S(=O)(=O)c2ccc(C#N)c(Cl)c2)CC1 ZINC000378331603 558531352 /nfs/dbraw/zinc/53/13/52/558531352.db2.gz FRPNJHIXWLEKTG-UHFFFAOYSA-N 1 0 353.875 2.461 20 30 FEEDRO COc1cc(C#N)ccc1OCCN1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000378369896 558541710 /nfs/dbraw/zinc/54/17/10/558541710.db2.gz MCAGKWHEEVHMGQ-KRWDZBQOSA-N 1 0 372.513 2.046 20 30 FEEDRO N#CC1(NC(=O)C(=O)Nc2ccccc2)CC[NH+](Cc2ccccc2)CC1 ZINC000378498899 558570226 /nfs/dbraw/zinc/57/02/26/558570226.db2.gz VAXVERJYDKCFKZ-UHFFFAOYSA-N 1 0 362.433 2.300 20 30 FEEDRO CN([C@@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)c1ccccc1C#N ZINC000385200247 558606342 /nfs/dbraw/zinc/60/63/42/558606342.db2.gz SJGCZQVAPULTDP-GOSISDBHSA-N 1 0 355.463 2.453 20 30 FEEDRO C[C@H](C(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1)n1cnc(C#N)n1 ZINC000409459519 558694160 /nfs/dbraw/zinc/69/41/60/558694160.db2.gz RTGPQPBHQNQWHR-HZPDHXFCSA-N 1 0 366.469 2.402 20 30 FEEDRO CCN(C[C@H](C)C#N)S(=O)(=O)NCC1CC[NH+](CCC(C)C)CC1 ZINC000409481234 558695927 /nfs/dbraw/zinc/69/59/27/558695927.db2.gz AEDNYQDECQSFFE-MRXNPFEDSA-N 1 0 358.552 2.060 20 30 FEEDRO CCN(CCC#N)S(=O)(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000409496823 558697675 /nfs/dbraw/zinc/69/76/75/558697675.db2.gz YUXWOCCBAMGZET-AEFFLSMTSA-N 1 0 364.515 2.109 20 30 FEEDRO CCN(CCC#N)S(=O)(=O)N(CC)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000409498082 558697750 /nfs/dbraw/zinc/69/77/50/558697750.db2.gz GMPXAXBIAFZIFH-GOSISDBHSA-N 1 0 364.515 2.063 20 30 FEEDRO CCN(C[C@@H](C)C#N)S(=O)(=O)NCc1ccccc1C[NH+](CC)CC ZINC000409531928 558701074 /nfs/dbraw/zinc/70/10/74/558701074.db2.gz CZQPXIFSKWUNIU-INIZCTEOSA-N 1 0 366.531 2.344 20 30 FEEDRO N#Cc1cc(S(=O)(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)ccc1C(F)(F)F ZINC000409578610 558704656 /nfs/dbraw/zinc/70/46/56/558704656.db2.gz YCHVIXBIIKSQSE-LLVKDONJSA-N 1 0 373.400 2.340 20 30 FEEDRO Cc1cc(NC(=O)C(=O)NCc2cc(C#N)ccc2F)ccc1C[NH+](C)C ZINC000411267338 558864146 /nfs/dbraw/zinc/86/41/46/558864146.db2.gz RDHJKUHUOWAPCG-UHFFFAOYSA-N 1 0 368.412 2.322 20 30 FEEDRO C=C(C)CN(CC)C(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(F)c1 ZINC000411340802 558880287 /nfs/dbraw/zinc/88/02/87/558880287.db2.gz OQSVCLGTHBYHJY-UHFFFAOYSA-N 1 0 351.422 2.129 20 30 FEEDRO C[N@@H+]1CCC[C@H](CCNC(=O)C(=O)Nc2ccc(CC#N)cc2Cl)C1 ZINC000411672079 558940790 /nfs/dbraw/zinc/94/07/90/558940790.db2.gz MUZNPMYBIJEANU-CQSZACIVSA-N 1 0 362.861 2.193 20 30 FEEDRO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC[C@@](C(N)=O)(c2ccccc2)C1 ZINC000411966076 558996545 /nfs/dbraw/zinc/99/65/45/558996545.db2.gz LBVIHTBGLBMHCX-BTYIYWSLSA-N 1 0 362.433 2.014 20 30 FEEDRO CC(C)(CN1CCOCC1)[NH2+]CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000412002033 559001164 /nfs/dbraw/zinc/00/11/64/559001164.db2.gz JNRFYLISBCXTIR-UHFFFAOYSA-N 1 0 364.877 2.241 20 30 FEEDRO N#Cc1ccc(OCCNC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)cc1 ZINC000412139626 559016561 /nfs/dbraw/zinc/01/65/61/559016561.db2.gz AIMXWJGJMKGVEE-QGZVFWFLSA-N 1 0 359.495 2.271 20 30 FEEDRO C[C@@H](C(=O)NC1(C#N)CCC1)[NH+]1CCC2(C[C@@H]2C(=O)N2CCCCC2)CC1 ZINC000526057921 562265349 /nfs/dbraw/zinc/26/53/49/562265349.db2.gz WLJXFBMQKDZXJI-DLBZAZTESA-N 1 0 372.513 2.052 20 30 FEEDRO COC(=O)[C@@H]1CN(C(=O)N[C@H](CCCC#N)c2ccccc2)CC[N@H+](C)C1 ZINC000413588370 559118901 /nfs/dbraw/zinc/11/89/01/559118901.db2.gz XSFBUFSUBVSDAR-ZWKOTPCHSA-N 1 0 372.469 2.168 20 30 FEEDRO Cc1cc(C#N)ccc1S(=O)(=O)N[C@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000414457814 559165172 /nfs/dbraw/zinc/16/51/72/559165172.db2.gz GOWMZNARLZVMFV-ROUUACIJSA-N 1 0 355.463 2.243 20 30 FEEDRO N#Cc1ccccc1COc1cccc(C[N@@H+]2CC[C@H](O)[C@H](CO)C2)c1 ZINC000414551519 559171005 /nfs/dbraw/zinc/17/10/05/559171005.db2.gz BNIMPCQPZNETME-FPOVZHCZSA-N 1 0 352.434 2.312 20 30 FEEDRO Cc1nc2c(C#N)cnn2c(C)c1CCc1nc(C2([NH3+])CCCC2)no1 ZINC000414619436 559175899 /nfs/dbraw/zinc/17/58/99/559175899.db2.gz ODDMUPYDGJIOLI-UHFFFAOYSA-N 1 0 351.414 2.114 20 30 FEEDRO CO[C@H]1CCN(C(=O)Nc2cc(C#N)ccc2OC(F)F)[C@@H](C[NH3+])C1 ZINC000415121157 559206371 /nfs/dbraw/zinc/20/63/71/559206371.db2.gz HMJWVKXXQRRTOQ-NEPJUHHUSA-N 1 0 354.357 2.130 20 30 FEEDRO COC[C@@]1(CNC(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CCC[NH2+]1 ZINC000415213686 559215384 /nfs/dbraw/zinc/21/53/84/559215384.db2.gz OEERSYHPTCGXFE-HNNXBMFYSA-N 1 0 356.348 2.467 20 30 FEEDRO C[NH2+][C@@H]1CCN(C(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)C1 ZINC000415307720 559222675 /nfs/dbraw/zinc/22/26/75/559222675.db2.gz YFEAJZZIOPYUQD-MRXNPFEDSA-N 1 0 364.405 2.109 20 30 FEEDRO CC(C)c1ccc([C@@H]([NH3+])CNC(=O)C(=O)Nc2cccc(C#N)c2)cc1 ZINC000415381288 559229243 /nfs/dbraw/zinc/22/92/43/559229243.db2.gz NIKVASZAQQVCNS-SFHVURJKSA-N 1 0 350.422 2.436 20 30 FEEDRO CC(C)c1ccc([C@@H]([NH3+])CNC(=O)C(=O)Nc2sccc2C#N)cc1 ZINC000415384489 559229710 /nfs/dbraw/zinc/22/97/10/559229710.db2.gz UATMYKMSPYWUMC-HNNXBMFYSA-N 1 0 356.451 2.498 20 30 FEEDRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)C1 ZINC000415436035 559236593 /nfs/dbraw/zinc/23/65/93/559236593.db2.gz BHBOWCWKPJGSIS-TZMCWYRMSA-N 1 0 372.860 2.988 20 30 FEEDRO CC1(C)[NH2+]CC[C@@H]1NC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 ZINC000415439766 559237289 /nfs/dbraw/zinc/23/72/89/559237289.db2.gz DKCQPHPOCRJJQN-AWEZNQCLSA-N 1 0 358.833 2.659 20 30 FEEDRO CC(C)[C@H]([NH3+])CCN(C)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 ZINC000415443672 559237591 /nfs/dbraw/zinc/23/75/91/559237591.db2.gz FXMQLHYCJVNYJW-OAHLLOKOSA-N 1 0 358.421 2.720 20 30 FEEDRO C[C@H]1CN(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)CC[C@@H]1[NH3+] ZINC000415448420 559238329 /nfs/dbraw/zinc/23/83/29/559238329.db2.gz IDHGQLARTDLWAL-FZMZJTMJSA-N 1 0 358.833 2.598 20 30 FEEDRO N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)N[C@@H]2CCCC[C@H]2C[NH3+])n1 ZINC000415461828 559239744 /nfs/dbraw/zinc/23/97/44/559239744.db2.gz OQMSZEJOWKSHOB-SWLSCSKDSA-N 1 0 372.860 3.036 20 30 FEEDRO CC(C)(C)c1cc(C#N)c(NC(=O)C(=O)N2CCC3(C2)CC[NH2+]CC3)s1 ZINC000415556062 559249254 /nfs/dbraw/zinc/24/92/54/559249254.db2.gz REYFIWJFIZWVCC-UHFFFAOYSA-N 1 0 374.510 2.458 20 30 FEEDRO CCC[NH2+]CCNC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N ZINC000415556668 559249395 /nfs/dbraw/zinc/24/93/95/559249395.db2.gz GXVNOEYMESJPDL-UHFFFAOYSA-N 1 0 357.458 2.391 20 30 FEEDRO N#CCCCN1C(=O)CCc2cc(NC(=O)NCC[C@H]3CC[NH2+]C3)ccc21 ZINC000415562087 559250007 /nfs/dbraw/zinc/25/00/07/559250007.db2.gz OEUPCSLMDWWURR-OAHLLOKOSA-N 1 0 369.469 2.391 20 30 FEEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000415564645 559250126 /nfs/dbraw/zinc/25/01/26/559250126.db2.gz SUCFNLIPPDKKSX-AWEZNQCLSA-N 1 0 374.510 2.383 20 30 FEEDRO CC[NH2+][C@H](C)CNC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000415659980 559259199 /nfs/dbraw/zinc/25/91/99/559259199.db2.gz RXRKCLCZETYHLX-CQSZACIVSA-N 1 0 366.421 2.403 20 30 FEEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000415698139 559263157 /nfs/dbraw/zinc/26/31/57/559263157.db2.gz XUESSPSFGYBAMQ-FZKQIMNGSA-N 1 0 360.483 2.074 20 30 FEEDRO O=C(Nc1cccc(C#Cc2ccccc2)c1)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000415751093 559267523 /nfs/dbraw/zinc/26/75/23/559267523.db2.gz VOMIKCBPGXFQIX-PMACEKPBSA-N 1 0 373.456 2.093 20 30 FEEDRO CN(C(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)C1CC([NH3+])C1 ZINC000415790423 559271290 /nfs/dbraw/zinc/27/12/90/559271290.db2.gz PDHJBDWIEVXNEC-UHFFFAOYSA-N 1 0 364.405 2.237 20 30 FEEDRO CC(C)(C)c1csc(NC(=O)C(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)c1C#N ZINC000415817273 559274457 /nfs/dbraw/zinc/27/44/57/559274457.db2.gz UXHPTGGKDHHBSV-NWDGAFQWSA-N 1 0 362.499 2.489 20 30 FEEDRO N#CCCSc1ccccc1NC(=O)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000415833951 559276535 /nfs/dbraw/zinc/27/65/35/559276535.db2.gz IHVZXFPTOOJKIU-OAHLLOKOSA-N 1 0 360.483 2.265 20 30 FEEDRO O=C(Nc1ccccc1C#Cc1ccccc1)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000415868620 559280083 /nfs/dbraw/zinc/28/00/83/559280083.db2.gz METFFSBOHKYKKB-UXHICEINSA-N 1 0 373.456 2.093 20 30 FEEDRO C[NH+](C)C[C@@H]1CCCN1S(=O)(=O)c1cc(Br)ccc1C#N ZINC000416429176 559312366 /nfs/dbraw/zinc/31/23/66/559312366.db2.gz UYYYTTIDJZTSQL-ZDUSSCGKSA-N 1 0 372.288 2.035 20 30 FEEDRO CN(CC[N@H+](C)C1CC1)S(=O)(=O)c1cc(Br)ccc1C#N ZINC000416466338 559315242 /nfs/dbraw/zinc/31/52/42/559315242.db2.gz PUPFRBNBYOPXJR-UHFFFAOYSA-N 1 0 372.288 2.035 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCNC[C@@H]1c1cccnc1)C(C)C ZINC000417061771 559346319 /nfs/dbraw/zinc/34/63/19/559346319.db2.gz LGORUGZVHYRSFZ-VQTJNVASSA-N 1 0 371.529 2.436 20 30 FEEDRO C=C(C)COCCNC(=O)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000417890746 559380810 /nfs/dbraw/zinc/38/08/10/559380810.db2.gz OUZXRJVBZZIYOG-WMLDXEAASA-N 1 0 353.413 2.302 20 30 FEEDRO C[C@H](NC(=O)N(CC[NH3+])CCO)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000417982621 559384930 /nfs/dbraw/zinc/38/49/30/559384930.db2.gz BJLVNRFMWTVHAX-HNNXBMFYSA-N 1 0 352.438 2.249 20 30 FEEDRO COCC[NH2+]CCNC(=O)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000417983874 559385062 /nfs/dbraw/zinc/38/50/62/559385062.db2.gz LZDHVTHOMSWNNA-UHFFFAOYSA-N 1 0 352.438 2.260 20 30 FEEDRO CCC([NH3+])(CC)CNC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000418434259 559401529 /nfs/dbraw/zinc/40/15/29/559401529.db2.gz FFHXVPXVPMNSQH-UHFFFAOYSA-N 1 0 371.485 2.436 20 30 FEEDRO N#Cc1cccnc1N1CCN(C(=O)NCC[NH2+]C2CCCCCC2)CC1 ZINC000418449949 559402037 /nfs/dbraw/zinc/40/20/37/559402037.db2.gz SOEWCMQPPOMTPM-UHFFFAOYSA-N 1 0 370.501 2.097 20 30 FEEDRO N#CC1(F)CCN(C(=O)N[C@H]2C[NH2+]CC[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000418571750 559406740 /nfs/dbraw/zinc/40/67/40/559406740.db2.gz RSTBQOAZVGEIRY-BBRMVZONSA-N 1 0 366.387 2.448 20 30 FEEDRO N#Cc1ccc(CN2CCN(C(=O)NC[C@H]3CC[C@H](C[NH3+])CC3)CC2)cc1 ZINC000418673273 559410712 /nfs/dbraw/zinc/41/07/12/559410712.db2.gz VEVULINYVFCGOX-UAPYVXQJSA-N 1 0 369.513 2.151 20 30 FEEDRO COCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000418672871 559410726 /nfs/dbraw/zinc/41/07/26/559410726.db2.gz UUFGXMPAJRGLSR-SAABIXHNSA-N 1 0 358.486 2.481 20 30 FEEDRO COC1(C(F)(F)F)CC[NH+](C[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC000419324489 559436980 /nfs/dbraw/zinc/43/69/80/559436980.db2.gz JLFNPENVBSIINO-CQSZACIVSA-N 1 0 358.360 2.341 20 30 FEEDRO C=CCC[C@H](NC(=O)C(=O)NCC1C[NH2+]C1)c1ccc(C(F)(F)F)cc1 ZINC000419476530 559444310 /nfs/dbraw/zinc/44/43/10/559444310.db2.gz PZKLPPFSSFJYCP-HNNXBMFYSA-N 1 0 369.387 2.165 20 30 FEEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)NCC3(C#N)CCC3)CC2)cc1 ZINC000419650500 559451754 /nfs/dbraw/zinc/45/17/54/559451754.db2.gz RUHUBJFOMQQQSH-UHFFFAOYSA-N 1 0 351.454 2.469 20 30 FEEDRO C=C(C)[C@H](NC(=O)C(=O)NCC[C@@H]1CCC[NH2+]C1)c1ccc(F)c(F)c1 ZINC000419669950 559452847 /nfs/dbraw/zinc/45/28/47/559452847.db2.gz BTXORAFTNLAVKL-GUYCJALGSA-N 1 0 365.424 2.204 20 30 FEEDRO C=CCC[C@@H]1NC(=O)N(C[C@@H](C)[NH+]2CCN(c3ccccc3)CC2)C1=O ZINC000419919513 559464430 /nfs/dbraw/zinc/46/44/30/559464430.db2.gz AYHPLPALWWSLRV-AEFFLSMTSA-N 1 0 356.470 2.084 20 30 FEEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000420109608 559473137 /nfs/dbraw/zinc/47/31/37/559473137.db2.gz YSNXDZSPCLZKQW-DGCLKSJQSA-N 1 0 355.891 2.030 20 30 FEEDRO C[C@@H]1CCN(S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)[C@H](C[NH3+])C1 ZINC000420423788 559486963 /nfs/dbraw/zinc/48/69/63/559486963.db2.gz OYXKMFGTAQYEIL-PWSUYJOCSA-N 1 0 361.389 2.325 20 30 FEEDRO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1C[C@@H](C)C[C@H](C(=O)OC(C)(C)C)C1 ZINC000421002073 559518791 /nfs/dbraw/zinc/51/87/91/559518791.db2.gz DJIWLWBAPUAQHJ-XHSDSOJGSA-N 1 0 351.491 2.294 20 30 FEEDRO CCOC(=O)c1c(NC(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)c(C#N)cn1CC ZINC000421172325 559528623 /nfs/dbraw/zinc/52/86/23/559528623.db2.gz JLXUSLXHMJUASV-HIFRSBDPSA-N 1 0 373.457 2.114 20 30 FEEDRO N#Cc1ccc(C[NH2+][C@H]2CCN(S(=O)(=O)c3ccccc3)C2)cc1F ZINC000421358924 559540146 /nfs/dbraw/zinc/54/01/46/559540146.db2.gz VJHNMVHAKLBBBQ-INIZCTEOSA-N 1 0 359.426 2.250 20 30 FEEDRO CC[NH+]1CCC(N2CCCN(C(=O)c3cccc(CC#N)c3)CC2)CC1 ZINC000422007645 559560105 /nfs/dbraw/zinc/56/01/05/559560105.db2.gz NXGHFJBQHFSJBB-UHFFFAOYSA-N 1 0 354.498 2.385 20 30 FEEDRO C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000422487201 559591391 /nfs/dbraw/zinc/59/13/91/559591391.db2.gz HXGPLODEAUKWEL-RTBURBONSA-N 1 0 357.498 2.138 20 30 FEEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NC1CCC([NH+](C)C)CC1 ZINC000422632318 559598887 /nfs/dbraw/zinc/59/88/87/559598887.db2.gz GPHLQZRGMQHONS-UHFFFAOYSA-N 1 0 370.497 2.286 20 30 FEEDRO CC[C@H](C(=O)N1CCC(NC(=O)[C@@H]([NH3+])CCCC#N)CC1)c1ccccc1 ZINC000424109960 559655013 /nfs/dbraw/zinc/65/50/13/559655013.db2.gz BNZJVQBFLKDENQ-OALUTQOASA-N 1 0 370.497 2.309 20 30 FEEDRO C[C@H](C(=O)Nc1cccc(NC(=O)[C@H]([NH3+])CCCC#N)c1)n1cccn1 ZINC000424106262 559655105 /nfs/dbraw/zinc/65/51/05/559655105.db2.gz XHXKQLGPUDUELA-CZUORRHYSA-N 1 0 354.414 2.042 20 30 FEEDRO COc1cc(Br)c(CNC(=O)[C@H]([NH3+])CCCC#N)cc1OC ZINC000424110113 559655118 /nfs/dbraw/zinc/65/51/18/559655118.db2.gz BZVVZKJXQCEZNO-GFCCVEGCSA-N 1 0 370.247 2.104 20 30 FEEDRO CC(C)(C)c1nc(CN2CCN(C(=O)[C@@H]([NH3+])CCCC#N)CC2)cs1 ZINC000424137517 559655925 /nfs/dbraw/zinc/65/59/25/559655925.db2.gz SDDZLACICPWRKQ-HNNXBMFYSA-N 1 0 363.531 2.106 20 30 FEEDRO N#CCCC[C@H]([NH3+])C(=O)N1CCc2c(Br)ccc(F)c2C1 ZINC000424168210 559656638 /nfs/dbraw/zinc/65/66/38/559656638.db2.gz HZYWEPFYLGHGAW-AWEZNQCLSA-N 1 0 354.223 2.494 20 30 FEEDRO C=CCCn1cc(C(=O)NC2CC[NH+](CCc3ccccc3)CC2)nn1 ZINC000424583257 559670117 /nfs/dbraw/zinc/67/01/17/559670117.db2.gz LGSAPJXCPORWMW-UHFFFAOYSA-N 1 0 353.470 2.291 20 30 FEEDRO C[C@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000425389827 559699643 /nfs/dbraw/zinc/69/96/43/559699643.db2.gz VGJYATHMWPZHHP-APWZRJJASA-N 1 0 368.481 2.164 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H]1CC[N@@H+](CCCOCC)C[C@H]1C ZINC000425456418 559703054 /nfs/dbraw/zinc/70/30/54/559703054.db2.gz WODLNNHKTJQRAQ-XDNAFOTISA-N 1 0 353.507 2.014 20 30 FEEDRO COCC(C)(C)[NH+]1CCN(CC(=O)Nc2cc(Cl)ccc2C#N)CC1 ZINC000425507458 559706601 /nfs/dbraw/zinc/70/66/01/559706601.db2.gz QXSQJAGKNITZAT-UHFFFAOYSA-N 1 0 364.877 2.193 20 30 FEEDRO COCC(C)(C)[NH+]1CCN(Cc2nnc(-c3ccc(C#N)cc3)o2)CC1 ZINC000425513423 559707002 /nfs/dbraw/zinc/70/70/02/559707002.db2.gz ZZIVGKOHPWMWFB-UHFFFAOYSA-N 1 0 355.442 2.151 20 30 FEEDRO C=CCn1cc(CNC(=O)NCC2([N@H+](C)Cc3ccccc3)CCC2)nn1 ZINC000425586655 559710966 /nfs/dbraw/zinc/71/09/66/559710966.db2.gz LZSDNVIQQAULKE-UHFFFAOYSA-N 1 0 368.485 2.318 20 30 FEEDRO C[C@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000425877605 559723757 /nfs/dbraw/zinc/72/37/57/559723757.db2.gz CIDRPBHGWZGOJL-CABCVRRESA-N 1 0 358.486 2.170 20 30 FEEDRO C[C@@H](NC(=O)C(=O)N(C)[C@H](C)c1cccc(C#N)c1)C(C)(C)C[NH+](C)C ZINC000425877614 559723785 /nfs/dbraw/zinc/72/37/85/559723785.db2.gz CIDRPBHGWZGOJL-HUUCEWRRSA-N 1 0 358.486 2.170 20 30 FEEDRO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000425910558 559725068 /nfs/dbraw/zinc/72/50/68/559725068.db2.gz WNSIXIJMVVPWFB-YJBOKZPZSA-N 1 0 370.497 2.314 20 30 FEEDRO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CC[C@@](C(=O)OC)(c2ccccc2)C1 ZINC000428771197 559782936 /nfs/dbraw/zinc/78/29/36/559782936.db2.gz HMESZXYBEGVBMY-UWJYYQICSA-N 1 0 356.466 2.392 20 30 FEEDRO COC(=O)C[C@@](C)([NH2+]CCC(=O)Nc1ccc(C#N)cc1)c1ccccn1 ZINC000429677589 559803838 /nfs/dbraw/zinc/80/38/38/559803838.db2.gz YBRJWGUOPVGKBQ-HXUWFJFHSA-N 1 0 366.421 2.350 20 30 FEEDRO C[NH+](C)C[C@@H]1CCN(C(=O)c2cnn(CCC#N)c2-c2ccccc2)C1 ZINC000429787830 559805664 /nfs/dbraw/zinc/80/56/64/559805664.db2.gz PHEUJOLXGFGDRF-INIZCTEOSA-N 1 0 351.454 2.487 20 30 FEEDRO C[N@@H+]1CCN(CCCNC(=O)c2ccc(C#N)o2)[C@@H](c2ccccc2)C1 ZINC000429855649 559807259 /nfs/dbraw/zinc/80/72/59/559807259.db2.gz DJBMVRRGQQAQEA-GOSISDBHSA-N 1 0 352.438 2.260 20 30 FEEDRO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](C(=O)N(C)c2ccccc2)C1 ZINC000430310088 559817486 /nfs/dbraw/zinc/81/74/86/559817486.db2.gz YHFQVRPBBJHKCX-CBGDNZLLSA-N 1 0 370.497 2.414 20 30 FEEDRO CC[NH+](CC)C[C@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(C#N)nc1 ZINC000431889897 559847893 /nfs/dbraw/zinc/84/78/93/559847893.db2.gz ACZVCOXVLQVZAT-PBHICJAKSA-N 1 0 350.488 2.132 20 30 FEEDRO N#CCCC[C@H](NC(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O)c1ccccc1 ZINC000431931126 559848754 /nfs/dbraw/zinc/84/87/54/559848754.db2.gz MRURDLBLFNVNJB-ZWKOTPCHSA-N 1 0 371.485 2.061 20 30 FEEDRO COc1c[nH+]ccc1N1CCN(C(=O)Nc2ccc(F)c(C#N)c2)CC1 ZINC000432059981 559851126 /nfs/dbraw/zinc/85/11/26/559851126.db2.gz ILZKMFKUZCNTTD-UHFFFAOYSA-N 1 0 355.373 2.455 20 30 FEEDRO CC(=O)N[C@@H]1CCCN(C(=O)C[NH2+][C@H](CCCC#N)c2ccccc2)C1 ZINC000433014517 559869944 /nfs/dbraw/zinc/86/99/44/559869944.db2.gz SJBAIEDEPAWYRY-RTBURBONSA-N 1 0 356.470 2.138 20 30 FEEDRO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N(C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000434748314 559908292 /nfs/dbraw/zinc/90/82/92/559908292.db2.gz RKZHOHSMQKIMLE-MCNSAMFCSA-N 1 0 371.529 2.449 20 30 FEEDRO COC(=O)[C@@H]1CC[N@H+](Cc2cn(CCC#N)nc2-c2ccncc2)[C@@H]1C ZINC000434983828 559913811 /nfs/dbraw/zinc/91/38/11/559913811.db2.gz UKAUQTZBRXKIEQ-RHSMWYFYSA-N 1 0 353.426 2.242 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1ncc(C(C)(C)C)s1 ZINC000435018857 559914448 /nfs/dbraw/zinc/91/44/48/559914448.db2.gz GGTCRWVQHGBXRK-UHFFFAOYSA-N 1 0 365.503 2.073 20 30 FEEDRO CNC(=O)CC1CC[NH+](Cc2cn(CCC#N)nc2-c2ccncc2)CC1 ZINC000435131004 559916911 /nfs/dbraw/zinc/91/69/11/559916911.db2.gz AHYBHPMIKDBWKP-UHFFFAOYSA-N 1 0 366.469 2.207 20 30 FEEDRO COC[C@@](C)(C#N)NC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000435915371 559932257 /nfs/dbraw/zinc/93/22/57/559932257.db2.gz FVLWYEZERRQIMU-OAQYLSRUSA-N 1 0 368.481 2.453 20 30 FEEDRO CCCc1nc(C)c(NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C)s1 ZINC000438753751 559983117 /nfs/dbraw/zinc/98/31/17/559983117.db2.gz IRIRWQZOONKMOV-UHFFFAOYSA-N 1 0 365.503 2.037 20 30 FEEDRO N#Cc1ccc([C@H]([NH2+]CCc2nc(C(F)(F)F)cs2)C(N)=O)cc1 ZINC000439659155 559998492 /nfs/dbraw/zinc/99/84/92/559998492.db2.gz RVYJMKIZXIFZRP-ZDUSSCGKSA-N 1 0 354.357 2.392 20 30 FEEDRO C=C(C)CN(CC)C(=O)[C@H](C)N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000441025185 560022015 /nfs/dbraw/zinc/02/20/15/560022015.db2.gz IBPXVSAJOWTHES-IBGZPJMESA-N 1 0 364.578 2.290 20 30 FEEDRO CCCN(CC[NH+](CC)CC)C(=O)C(=O)Nc1ccc(C#N)cc1OC ZINC000527415171 562287935 /nfs/dbraw/zinc/28/79/35/562287935.db2.gz DLOJPTMBKYNVMR-UHFFFAOYSA-N 1 0 360.458 2.086 20 30 FEEDRO Cc1cc(S(=O)(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)ccc1C#N ZINC000443944920 560096822 /nfs/dbraw/zinc/09/68/22/560096822.db2.gz IRKXZDKGNFHEDV-SFHVURJKSA-N 1 0 357.479 2.318 20 30 FEEDRO Cc1cc(C[NH2+]C[C@H]2CCCN(c3nccn4cnnc34)C2)ccc1C#N ZINC000443991245 560098630 /nfs/dbraw/zinc/09/86/30/560098630.db2.gz SXGNJDSMTCBVKW-QGZVFWFLSA-N 1 0 361.453 2.311 20 30 FEEDRO CCCC[N@H+](CC)Cc1cccc(CNS(=O)(=O)N(C)CCC#N)c1 ZINC000447649043 560165791 /nfs/dbraw/zinc/16/57/91/560165791.db2.gz SDULPGUUKUWXQO-UHFFFAOYSA-N 1 0 366.531 2.488 20 30 FEEDRO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](Cc1ccccc1)C[C@]1(O)CCO[C@H]1C ZINC000447926735 560173511 /nfs/dbraw/zinc/17/35/11/560173511.db2.gz NDHCSULSQLJQMI-IOMROCGXSA-N 1 0 373.497 2.083 20 30 FEEDRO C[NH+](C)[C@H]1CCN(c2ccc(NC(=O)c3ncc(C#N)cc3Cl)nc2)C1 ZINC000448450542 560187423 /nfs/dbraw/zinc/18/74/23/560187423.db2.gz AVXUJCDGTSMMRR-AWEZNQCLSA-N 1 0 370.844 2.394 20 30 FEEDRO CC[NH+]1CCC(NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1 ZINC000448601506 560192098 /nfs/dbraw/zinc/19/20/98/560192098.db2.gz UQXXBXYDHNJMMQ-CQSZACIVSA-N 1 0 374.872 2.165 20 30 FEEDRO C[C@@H](CNC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)[N@H+](C)C1CC1 ZINC000448891645 560205174 /nfs/dbraw/zinc/20/51/74/560205174.db2.gz UVOSAMLYXGPAJG-JSGCOSHPSA-N 1 0 374.872 2.163 20 30 FEEDRO C=CCOc1ccc(CC(=O)N2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)cc1 ZINC000448933682 560207527 /nfs/dbraw/zinc/20/75/27/560207527.db2.gz RTGLYLWCDNPZOD-FQEVSTJZSA-N 1 0 371.525 2.422 20 30 FEEDRO CCCN(CC[NH+](C)C)C(=O)COc1ccc(C#N)c(Br)c1 ZINC000449846631 560242501 /nfs/dbraw/zinc/24/25/01/560242501.db2.gz ZPCNZOAAHYWMNH-UHFFFAOYSA-N 1 0 368.275 2.500 20 30 FEEDRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1ccc(C#N)n1C ZINC000450004736 560247787 /nfs/dbraw/zinc/24/77/87/560247787.db2.gz SIQBUCXOEYRZPP-UHFFFAOYSA-N 1 0 367.453 2.300 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000450229064 560254766 /nfs/dbraw/zinc/25/47/66/560254766.db2.gz WEAYQBIMDKFRFP-FYQPLNBISA-N 1 0 363.546 2.373 20 30 FEEDRO C=CC[N@H+](C[C@H]1CCNC(=O)CC1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000450392710 560261106 /nfs/dbraw/zinc/26/11/06/560261106.db2.gz NPXLCJWHWKLBFV-HZPDHXFCSA-N 1 0 354.458 2.128 20 30 FEEDRO C[N@@H+]1CCN(C(=O)COc2cccc(Br)c2C#N)C(C)(C)C1 ZINC000450513721 560264695 /nfs/dbraw/zinc/26/46/95/560264695.db2.gz AYHSWGBVSYTKFH-UHFFFAOYSA-N 1 0 366.259 2.252 20 30 FEEDRO Cc1ccncc1S(=O)(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000451055298 560284971 /nfs/dbraw/zinc/28/49/71/560284971.db2.gz NWINCNRMJFWHRA-UHFFFAOYSA-N 1 0 358.467 2.014 20 30 FEEDRO Cc1ccncc1S(=O)(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000451130509 560288850 /nfs/dbraw/zinc/28/88/50/560288850.db2.gz MHHVXIDKIWYBKS-UHFFFAOYSA-N 1 0 358.467 2.014 20 30 FEEDRO CC(C)[N@@H+]1C[C@@H](C)[C@H](NS(=O)(=O)c2ccc(CC#N)cc2Cl)C1 ZINC000451275899 560297635 /nfs/dbraw/zinc/29/76/35/560297635.db2.gz YQWNRADHMRLOLE-IUODEOHRSA-N 1 0 355.891 2.413 20 30 FEEDRO C[NH+](C)CC1CCN(S(=O)(=O)c2ccc(CC#N)cc2Cl)CC1 ZINC000451366561 560302954 /nfs/dbraw/zinc/30/29/54/560302954.db2.gz YRKJKBDGELINER-UHFFFAOYSA-N 1 0 355.891 2.368 20 30 FEEDRO CC(=O)N1CCC[N@H+](C[C@H]2CCCN(Cc3cccc(C#N)c3F)C2)CC1 ZINC000451529624 560312416 /nfs/dbraw/zinc/31/24/16/560312416.db2.gz NMQOQRONMDZODS-GOSISDBHSA-N 1 0 372.488 2.464 20 30 FEEDRO CC(C)(C)CC(C)(C)[NH+]1CCN(CC(=O)N(CCC#N)CCC#N)CC1 ZINC000451897763 560335505 /nfs/dbraw/zinc/33/55/05/560335505.db2.gz DSTBNVVPUZBJCG-UHFFFAOYSA-N 1 0 361.534 2.475 20 30 FEEDRO N#CCCN(CCC#N)C(=O)C[NH2+][C@@H](c1cccs1)C1(CO)CCC1 ZINC000452060517 560348775 /nfs/dbraw/zinc/34/87/75/560348775.db2.gz MUIXUTYGCOKKQE-KRWDZBQOSA-N 1 0 360.483 2.197 20 30 FEEDRO C[NH+](C)C(C)(C)CNC(=O)C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 ZINC000453578417 560389495 /nfs/dbraw/zinc/38/94/95/560389495.db2.gz OJZMQRQISGRUPZ-UHFFFAOYSA-N 1 0 360.458 2.130 20 30 FEEDRO Cc1cc(C#N)cc(NC(=O)C(=O)N[C@@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000453614895 560391311 /nfs/dbraw/zinc/39/13/11/560391311.db2.gz PVGSLFRYDCGJCG-XHSDSOJGSA-N 1 0 356.470 2.288 20 30 FEEDRO CC(C)[N@H+](C)CCNC(=O)C(=O)Nc1sc(C(C)(C)C)cc1C#N ZINC000453638855 560392600 /nfs/dbraw/zinc/39/26/00/560392600.db2.gz DLRIQDMLCLLHDD-UHFFFAOYSA-N 1 0 350.488 2.312 20 30 FEEDRO CCCC[N@H+](C)CCNC(=O)C(=O)Nc1ccc(CC#N)cc1Cl ZINC000453651805 560393622 /nfs/dbraw/zinc/39/36/22/560393622.db2.gz YWTLWJFUIOEXCT-UHFFFAOYSA-N 1 0 350.850 2.193 20 30 FEEDRO Cc1cc(C#N)cc(NC(=O)C(=O)N(CC[NH+](C)C)Cc2cccs2)c1 ZINC000453681223 560396266 /nfs/dbraw/zinc/39/62/66/560396266.db2.gz ZJRBCHCGDDSWHI-UHFFFAOYSA-N 1 0 370.478 2.457 20 30 FEEDRO C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)C(=O)Nc1cccc(CC#N)c1 ZINC000453700003 560397747 /nfs/dbraw/zinc/39/77/47/560397747.db2.gz QTHYTPWSRNWMBH-INIZCTEOSA-N 1 0 364.449 2.328 20 30 FEEDRO C[NH+](C)[C@H]1CCc2cc(NC(=O)C(=O)N3CCC(F)(C#N)CC3)ccc21 ZINC000453740066 560400750 /nfs/dbraw/zinc/40/07/50/560400750.db2.gz IVAZGSWBRUDNES-INIZCTEOSA-N 1 0 358.417 2.028 20 30 FEEDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)C(=O)Nc1ccc(CC#N)cc1Cl ZINC000453756008 560401946 /nfs/dbraw/zinc/40/19/46/560401946.db2.gz XTFXFGLOLPSFIO-UKRRQHHQSA-N 1 0 374.872 2.430 20 30 FEEDRO CCN(CCNC(=O)C(=O)Nc1cc(C)cc(C#N)c1)CCC(F)(F)F ZINC000453764127 560402498 /nfs/dbraw/zinc/40/24/98/560402498.db2.gz XCSGUFKQOSDVQM-UHFFFAOYSA-N 1 0 370.375 2.196 20 30 FEEDRO C[C@@H]1CN(C(=O)C(=O)Nc2sc(C(C)(C)C)cc2C#N)C[C@H](C)N1C ZINC000453769418 560402949 /nfs/dbraw/zinc/40/29/49/560402949.db2.gz JWXXEPKCRPLLPY-TXEJJXNPSA-N 1 0 362.499 2.407 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@@H](CC(C)(C)C(N)=O)C2)CC1 ZINC000454455485 560445188 /nfs/dbraw/zinc/44/51/88/560445188.db2.gz CIKJTBWDSCWJOD-INIZCTEOSA-N 1 0 364.534 2.350 20 30 FEEDRO CC#CCNC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000454733750 560456020 /nfs/dbraw/zinc/45/60/20/560456020.db2.gz LAORTYYHZKUSIV-LJQANCHMSA-N 1 0 355.482 2.238 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N2C[C@H](c3ccccc3)[C@](F)(CO)C2)CC1 ZINC000458331022 560615324 /nfs/dbraw/zinc/61/53/24/560615324.db2.gz HKJGYTPCNVKMCS-UYAOXDASSA-N 1 0 361.461 2.146 20 30 FEEDRO CC(C)(CC#N)CNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000459257788 560676406 /nfs/dbraw/zinc/67/64/06/560676406.db2.gz KOROTWYWFAFNNR-MSOLQXFVSA-N 1 0 358.486 2.108 20 30 FEEDRO Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NCc1c(C#N)cccc1[N+](=O)[O-] ZINC000459414005 560685289 /nfs/dbraw/zinc/68/52/89/560685289.db2.gz NWJOROAPESQAKN-YJBOKZPZSA-N 1 0 355.398 2.437 20 30 FEEDRO C=CCN(C)C(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000459912471 560719018 /nfs/dbraw/zinc/71/90/18/560719018.db2.gz YBFYRUVKJUJBPP-OALUTQOASA-N 1 0 355.482 2.144 20 30 FEEDRO C=C(C)Cn1c(C(=O)NC(C)C)nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000460953768 560756988 /nfs/dbraw/zinc/75/69/88/560756988.db2.gz ULLGHPMSLSEOGC-CVEARBPZSA-N 1 0 362.522 2.159 20 30 FEEDRO N#C[C@@H]1CCC[C@@H]1NC(=O)NCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000461944952 560789126 /nfs/dbraw/zinc/78/91/26/560789126.db2.gz WNEHEBKCNUVKDZ-IPELMVKDSA-N 1 0 356.470 2.135 20 30 FEEDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CC(Oc2ccc(C#N)cc2)C1 ZINC000462139724 560798995 /nfs/dbraw/zinc/79/89/95/560798995.db2.gz ZCJVCXZOAJLKEF-CVEARBPZSA-N 1 0 356.470 2.451 20 30 FEEDRO COc1cc(CNC(=O)N[C@@H]2CCO[C@H](c3cncn3C)C2)ccc1C#N ZINC000462473142 560811437 /nfs/dbraw/zinc/81/14/37/560811437.db2.gz NHFCBVLHBLHAFZ-QAPCUYQASA-N 1 0 369.425 2.020 20 30 FEEDRO C=CCOc1cc(OC)ccc1C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000463574591 560819076 /nfs/dbraw/zinc/81/90/76/560819076.db2.gz OXKIZFSQBXXZKM-GOSISDBHSA-N 1 0 350.484 2.427 20 30 FEEDRO COc1cc(C#N)ccc1S(=O)(=O)NCC1([NH+](C)C)CCCCC1 ZINC000463675704 560820905 /nfs/dbraw/zinc/82/09/05/560820905.db2.gz PZLBOGDADHLPTJ-UHFFFAOYSA-N 1 0 351.472 2.110 20 30 FEEDRO COC(=O)[C@H](C)[C@H]([NH2+]CC(=O)NCc1ccc(C#N)cc1)c1ccccc1 ZINC000464887532 560854674 /nfs/dbraw/zinc/85/46/74/560854674.db2.gz NPVIXQFMSKHFFG-QRWLVFNGSA-N 1 0 365.433 2.314 20 30 FEEDRO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000466917239 560899175 /nfs/dbraw/zinc/89/91/75/560899175.db2.gz APZXKZLHPIASCY-XLIONFOSSA-N 1 0 364.534 2.006 20 30 FEEDRO C=CCN(C(=O)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O)c1nc2c(s1)CCCC2 ZINC000467716268 560915695 /nfs/dbraw/zinc/91/56/95/560915695.db2.gz VRZUHVCMNKTMAH-AGUYFDCRSA-N 1 0 359.495 2.356 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@@H](C(=O)OC)[C@@H]1C)C(C)C ZINC000468434047 560929872 /nfs/dbraw/zinc/92/98/72/560929872.db2.gz CHOAOTDYPYMELI-GVDBMIGSSA-N 1 0 351.491 2.278 20 30 FEEDRO CCOC(=O)[C@](C)(C[NH2+][C@H](C(N)=O)c1ccc(C#N)cc1)c1ccccc1 ZINC000468778080 560938593 /nfs/dbraw/zinc/93/85/93/560938593.db2.gz AVIVARZDMRISFW-GHTZIAJQSA-N 1 0 365.433 2.195 20 30 FEEDRO C[C@H](C(=O)NC1(C#N)CCC1)[NH+]1CCC(C(=O)NC2CCCCC2)CC1 ZINC000469721612 560962850 /nfs/dbraw/zinc/96/28/50/560962850.db2.gz QWURZOXFOOPKDT-OAHLLOKOSA-N 1 0 360.502 2.098 20 30 FEEDRO CC[C@H](CO)[NH+]1CCN(C(=O)c2cn(CCCC#N)c3ccccc23)CC1 ZINC000469758109 560963824 /nfs/dbraw/zinc/96/38/24/560963824.db2.gz VYWDASUWPJJTQE-QGZVFWFLSA-N 1 0 368.481 2.474 20 30 FEEDRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)[C@@H](C)Oc2ccccc2C#N)C1 ZINC000471569349 561007463 /nfs/dbraw/zinc/00/74/63/561007463.db2.gz GQCLIZIEIRVRDC-AEFFLSMTSA-N 1 0 359.470 2.285 20 30 FEEDRO C[NH+](C)CCOCCNC(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 ZINC000471649080 561009642 /nfs/dbraw/zinc/00/96/42/561009642.db2.gz NQILPZHLPZOYQA-UHFFFAOYSA-N 1 0 374.363 2.199 20 30 FEEDRO Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)n1 ZINC000471814753 561012288 /nfs/dbraw/zinc/01/22/88/561012288.db2.gz FIXRBWRCYGABCB-IPMKNSEASA-N 1 0 367.497 2.221 20 30 FEEDRO CC[NH+](CC)CCO[C@H]1CCN(CC(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000472289713 561023429 /nfs/dbraw/zinc/02/34/29/561023429.db2.gz DDTZXCMKSXPJTB-INIZCTEOSA-N 1 0 362.474 2.139 20 30 FEEDRO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NCC1(O)CC[NH+](C(C)C)CC1 ZINC000472417040 561025995 /nfs/dbraw/zinc/02/59/95/561025995.db2.gz VCAKCLIKRKFUEM-LJQANCHMSA-N 1 0 373.497 2.313 20 30 FEEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+](CCO)C2CC2)c1C#N ZINC000472439200 561026520 /nfs/dbraw/zinc/02/65/20/561026520.db2.gz LGCVTPUVVWIQST-UHFFFAOYSA-N 1 0 370.453 2.403 20 30 FEEDRO C=C(C)COCCNC(=O)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000475476224 561098296 /nfs/dbraw/zinc/09/82/96/561098296.db2.gz GLNPCABERWELON-UHFFFAOYSA-N 1 0 373.497 2.362 20 30 FEEDRO CC(C)[C@@H](CNC(=O)c1ccc(C(C)(C)C#N)cc1)[NH+]1CCN(C)CC1 ZINC000475907490 561107628 /nfs/dbraw/zinc/10/76/28/561107628.db2.gz UZOLTTGTMOTGAN-LJQANCHMSA-N 1 0 356.514 2.490 20 30 FEEDRO C[C@@H](Oc1ccccc1C#N)C(=O)N1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC000476451846 561119825 /nfs/dbraw/zinc/11/98/25/561119825.db2.gz KFAULOVSRBCKLH-AEFFLSMTSA-N 1 0 357.454 2.039 20 30 FEEDRO C=CCn1c([C@H]2CCCO2)nnc1N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000528298311 562321574 /nfs/dbraw/zinc/32/15/74/562321574.db2.gz FMSITYCMLGYCQS-MRXNPFEDSA-N 1 0 361.490 2.007 20 30 FEEDRO CCCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](C[C@@H](O)COc2ccccc2C#N)C1 ZINC000528358236 562324743 /nfs/dbraw/zinc/32/47/43/562324743.db2.gz KJAORAGAKRYMLY-QXAKKESOSA-N 1 0 373.497 2.315 20 30 FEEDRO COc1cc2c(c(OC)c1OC)CC[N@H+](C[C@@H](O)CC1(C#N)CC1)CC2 ZINC000528406825 562327358 /nfs/dbraw/zinc/32/73/58/562327358.db2.gz ZGJNXCODVQVHIA-HNNXBMFYSA-N 1 0 360.454 2.168 20 30 FEEDRO N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000528438821 562329271 /nfs/dbraw/zinc/32/92/71/562329271.db2.gz NFFYUHXHLIQMKY-UYAOXDASSA-N 1 0 356.397 2.031 20 30 FEEDRO CN1CC[C@H]([NH2+]C[C@H](O)COc2ccccc2C#N)[C@H]1c1ccccc1 ZINC000528490442 562331961 /nfs/dbraw/zinc/33/19/61/562331961.db2.gz KBBJNBFVAUEQNY-IRFCIJBXSA-N 1 0 351.450 2.333 20 30 FEEDRO N#CC1(C[C@H](O)C[N@@H+]2CC[C@H](Oc3cccnc3N3CCCC3)C2)CC1 ZINC000528502652 562332965 /nfs/dbraw/zinc/33/29/65/562332965.db2.gz JZSHEZPMCWWQLS-IRXDYDNUSA-N 1 0 356.470 2.190 20 30 FEEDRO N#Cc1ccccc1OC[C@@H](O)C[NH+]1CCC(CO)(c2ccccc2)CC1 ZINC000528510637 562333289 /nfs/dbraw/zinc/33/32/89/562333289.db2.gz DJGUISIXCGITCR-FQEVSTJZSA-N 1 0 366.461 2.324 20 30 FEEDRO C[C@@H]1C[N@@H+](CCC2CCN(C(=O)Cc3ccc(C#N)nc3)CC2)C[C@H](C)O1 ZINC000528799734 562348511 /nfs/dbraw/zinc/34/85/11/562348511.db2.gz QJLVROWJOINECZ-CALCHBBNSA-N 1 0 370.497 2.234 20 30 FEEDRO COc1cc(OCC[NH+](C)C)ccc1NC(=O)Cc1ccc(C#N)nc1 ZINC000529485160 562375101 /nfs/dbraw/zinc/37/51/01/562375101.db2.gz CKURXESPXMSOLT-UHFFFAOYSA-N 1 0 354.410 2.083 20 30 FEEDRO N#Cc1c(-n2cccn2)cccc1N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530175185 562401528 /nfs/dbraw/zinc/40/15/28/562401528.db2.gz FRNAREPKAIXTJY-KRWDZBQOSA-N 1 0 351.454 2.339 20 30 FEEDRO N#Cc1ccccc1OC[C@H](O)C[NH2+][C@@H]1CCO[C@@H](c2ccccn2)C1 ZINC000530233811 562403207 /nfs/dbraw/zinc/40/32/07/562403207.db2.gz MEALQCLEHLPLFN-MBOZVWFJSA-N 1 0 353.422 2.203 20 30 FEEDRO C[C@H](C(=O)NC1(C#N)CCC1)[NH+]1CCC(C(=O)Nc2ccc(F)cc2)CC1 ZINC000530335509 562407241 /nfs/dbraw/zinc/40/72/41/562407241.db2.gz GCTLMRRKAPQXQW-CQSZACIVSA-N 1 0 372.444 2.427 20 30 FEEDRO C[C@H](N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)C(=O)NC1(C#N)CCC1 ZINC000530336769 562407359 /nfs/dbraw/zinc/40/73/59/562407359.db2.gz VFXZMKJDWOBHDL-LNLFQRSKSA-N 1 0 354.498 2.438 20 30 FEEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+]2C[C@H](O)C[C@H]2C)c1C#N ZINC000530361213 562408311 /nfs/dbraw/zinc/40/83/11/562408311.db2.gz CBLRFWSQZFVNNM-CZUORRHYSA-N 1 0 370.453 2.402 20 30 FEEDRO C[NH+]1CCN(C[C@H](NC(=O)c2ccc(C#N)s2)c2ccccc2)CC1 ZINC000530913922 562428487 /nfs/dbraw/zinc/42/84/87/562428487.db2.gz JNTZAPJSRZMGOI-KRWDZBQOSA-N 1 0 354.479 2.338 20 30 FEEDRO CC(=O)N[C@H]1CCCN(C(=O)C[N@H+](Cc2ccc(C#N)cc2)CC(C)C)C1 ZINC000531645359 562452656 /nfs/dbraw/zinc/45/26/56/562452656.db2.gz AUKZLHQWOCPDBT-FQEVSTJZSA-N 1 0 370.497 2.143 20 30 FEEDRO CC(C)[NH+]1CCN([C@H]2CCN(c3c(C#N)nnc4ccccc43)C2)CC1 ZINC000532093084 562466789 /nfs/dbraw/zinc/46/67/89/562466789.db2.gz PQBWCYNOFQRPSG-INIZCTEOSA-N 1 0 350.470 2.106 20 30 FEEDRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)C2(C#N)CC(C)C2)CC1 ZINC000532323143 562473933 /nfs/dbraw/zinc/47/39/33/562473933.db2.gz CHOJPCSAWZXROL-UHFFFAOYSA-N 1 0 354.498 2.380 20 30 FEEDRO CCC1(CC)CC[N@H+](CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C1 ZINC000533482588 562510496 /nfs/dbraw/zinc/51/04/96/562510496.db2.gz UAVSIDDKLLEINW-UHFFFAOYSA-N 1 0 359.474 2.015 20 30 FEEDRO C[C@@H]1CC[N@H+](C)CCN1C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000535079287 562550685 /nfs/dbraw/zinc/55/06/85/562550685.db2.gz LMWSFZPRUMCDLE-FAEJEUNOSA-N 1 0 371.485 2.379 20 30 FEEDRO CCc1csc(-n2cc(C(=O)N(CCC#N)CCC[NH+](C)C)cn2)n1 ZINC000535672009 562563855 /nfs/dbraw/zinc/56/38/55/562563855.db2.gz NKOJSUBFYDMCSD-UHFFFAOYSA-N 1 0 360.487 2.199 20 30 FEEDRO N#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)s1 ZINC000536434015 562575443 /nfs/dbraw/zinc/57/54/43/562575443.db2.gz UNPPWLCGCGNVIW-NVXWUHKLSA-N 1 0 355.463 2.233 20 30 FEEDRO N#Cc1ccc(OC2CCC(NC(=O)N[C@@H]3CC[N@@H+](C4CC4)C3)CC2)nc1 ZINC000536651858 562580459 /nfs/dbraw/zinc/58/04/59/562580459.db2.gz MCIDAYZQJODTEN-UPTPFMHGSA-N 1 0 369.469 2.179 20 30 FEEDRO CC[N@H+](CCC1CCN(S(=O)(=O)N(C)CCC#N)CC1)CC(C)C ZINC000536899888 562582301 /nfs/dbraw/zinc/58/23/01/562582301.db2.gz GKEVVRNBAYFDJI-UHFFFAOYSA-N 1 0 358.552 2.157 20 30 FEEDRO C=CCCOCCCCC(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000537330298 562589691 /nfs/dbraw/zinc/58/96/91/562589691.db2.gz WPRCPEZEYSVCNN-LJQANCHMSA-N 1 0 351.535 2.378 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H](CO)c2cccc(Cl)c2F)CC1 ZINC000540978638 562599392 /nfs/dbraw/zinc/59/93/92/562599392.db2.gz ZWXDANBGTYCLKN-HNNXBMFYSA-N 1 0 355.841 2.462 20 30 FEEDRO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)Nc1nc2ccccn2c1C#N ZINC000541114144 562603388 /nfs/dbraw/zinc/60/33/88/562603388.db2.gz ZHTUALNOKOSSRB-MRXNPFEDSA-N 1 0 361.453 2.224 20 30 FEEDRO CS(=O)(=O)C[C@H]([NH2+]C1CCC(Oc2ncccc2C#N)CC1)C1CC1 ZINC000556249665 674393567 /nfs/dbraw/zinc/39/35/67/674393567.db2.gz ZXBIPAZYHRPNAC-JCYILVPMSA-N 1 0 363.483 2.056 20 30 FEEDRO C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N(C)[C@@H]1CCC[C@@H]1C#N ZINC000601853439 567861180 /nfs/dbraw/zinc/86/11/80/567861180.db2.gz AMMSOGKHZYWYCO-VQHPVUNQSA-N 1 0 356.474 2.128 20 30 FEEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]CCNC(=O)c1c(F)cccc1F ZINC000602544981 567990047 /nfs/dbraw/zinc/99/00/47/567990047.db2.gz GHKFCUGKXPIPFI-CYBMUJFWSA-N 1 0 351.397 2.383 20 30 FEEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccccc1CS(C)(=O)=O ZINC000602562113 567991764 /nfs/dbraw/zinc/99/17/64/567991764.db2.gz HLBOGRCRDIFDFK-HNNXBMFYSA-N 1 0 350.484 2.420 20 30 FEEDRO N#CCCC[C@H]([NH3+])C(=O)N1CCc2cc(F)cc(Br)c2C1 ZINC000602573037 567996356 /nfs/dbraw/zinc/99/63/56/567996356.db2.gz XDJGHFHNORFOMH-AWEZNQCLSA-N 1 0 354.223 2.494 20 30 FEEDRO C[C@@H]1C[N@@H+](CC2(O)CCC(C(=O)OC(C)(C)C)CC2)C[C@H](C)N1CC#N ZINC000602848990 568000802 /nfs/dbraw/zinc/00/08/02/568000802.db2.gz JBIRZBFGOTWYBE-HLVUACMISA-N 1 0 365.518 2.168 20 30 FEEDRO C=CCc1ccc(OC[C@H](O)C[NH+]2C[C@@H](C)N(CC#N)[C@H](C)C2)c(OC)c1 ZINC000602857620 568002794 /nfs/dbraw/zinc/00/27/94/568002794.db2.gz UJEKOEDNZPUTHO-ZHALLVOQSA-N 1 0 373.497 2.082 20 30 FEEDRO C[C@H](CCC#N)C[NH2+]C[C@@H](Cc1cccc(F)c1)C(=O)N1CCOCC1 ZINC000602640383 568002864 /nfs/dbraw/zinc/00/28/64/568002864.db2.gz QEQJTHDSOBDHJH-SJLPKXTDSA-N 1 0 361.461 2.373 20 30 FEEDRO N#CC1(NC(=O)C[NH2+][C@@H](c2ccncc2)C2(CO)CCC2)CCCCC1 ZINC000602902794 568015660 /nfs/dbraw/zinc/01/56/60/568015660.db2.gz ODHJXDKUMLYCTL-SFHVURJKSA-N 1 0 356.470 2.218 20 30 FEEDRO COc1ccc(N2C[C@H]([NH2+][C@H](C)CC3(C#N)CCOCC3)CC2=O)cc1 ZINC000602709898 568018854 /nfs/dbraw/zinc/01/88/54/568018854.db2.gz JPPZFKBYMPPMDM-HZPDHXFCSA-N 1 0 357.454 2.489 20 30 FEEDRO CC1(C)[C@H](NC(=O)c2ccc(C3(C#N)CC3)cc2)C[C@H]1N1CCOCC1 ZINC000603117816 568063645 /nfs/dbraw/zinc/06/36/45/568063645.db2.gz PMTZBQWCMNBCKF-QZTJIDSGSA-N 1 0 353.466 2.471 20 30 FEEDRO N#CCCN(C(=O)Cn1cc(C[C@H]2CC[NH2+]C2)nn1)c1cccc(Cl)c1 ZINC000603178201 568068278 /nfs/dbraw/zinc/06/82/78/568068278.db2.gz RRAGXGLIHHUUPE-CQSZACIVSA-N 1 0 372.860 2.030 20 30 FEEDRO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)n1cc(C[C@H]2CCC[NH2+]C2)nn1 ZINC000603195099 568072538 /nfs/dbraw/zinc/07/25/38/568072538.db2.gz YHWYJURXMGLLPH-ZEVUXNIQSA-N 1 0 372.517 2.312 20 30 FEEDRO Cc1nccc([C@H]2CCC[N@H+](C[C@H](O)COc3ccc(CC#N)cc3)C2)n1 ZINC000603834462 568158781 /nfs/dbraw/zinc/15/87/81/568158781.db2.gz VARWMHPXYCRZHT-OALUTQOASA-N 1 0 366.465 2.470 20 30 FEEDRO N#Cc1ccc(CNC(=O)NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)s1 ZINC000569592052 568408685 /nfs/dbraw/zinc/40/86/85/568408685.db2.gz ORGICRKSQIWSSV-LJQANCHMSA-N 1 0 370.478 2.056 20 30 FEEDRO C[C@H]1COCCN1C1CC[NH+](CCC(=O)Nc2sccc2C#N)CC1 ZINC000569588349 568408732 /nfs/dbraw/zinc/40/87/32/568408732.db2.gz LEQKYRUDHKCCFE-AWEZNQCLSA-N 1 0 362.499 2.133 20 30 FEEDRO C=CCCCCCCNC(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000807572548 674420509 /nfs/dbraw/zinc/42/05/09/674420509.db2.gz LEHBSHSHBKCWRD-KRWDZBQOSA-N 1 0 350.507 2.071 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)Nc2cc(-c3nn[nH]n3)cn2C(C)(C)C)CC1 ZINC000735426631 598389184 /nfs/dbraw/zinc/38/91/84/598389184.db2.gz TZWPDYSFJVGJGN-UHFFFAOYSA-N 1 0 372.477 2.195 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)Nc2cc(-c3nn[nH]n3)ccc2OCC)CC1 ZINC000735425375 598391961 /nfs/dbraw/zinc/39/19/61/598391961.db2.gz AIQWFARWQFSPCX-UHFFFAOYSA-N 1 0 371.445 2.037 20 30 FEEDRO C[NH+]1CCN(C[C@H](Nc2nccc(C#N)c2Cl)c2ccccc2)CC1 ZINC000557566348 674454299 /nfs/dbraw/zinc/45/42/99/674454299.db2.gz XYNKKLNCOYHZBN-KRWDZBQOSA-N 1 0 355.873 3.007 20 30 FEEDRO COc1cc(CN2CC[C@@H]([NH2+]Cc3nc(C#N)cs3)C2)cc(OC)c1 ZINC000558485653 674499515 /nfs/dbraw/zinc/49/95/15/674499515.db2.gz HABOYGDXJXHMQV-CQSZACIVSA-N 1 0 358.467 2.396 20 30 FEEDRO CC(C)(C)c1csc(NC(=O)C(=O)NCC[NH+]2CCCCC2)c1C#N ZINC000559517692 674546322 /nfs/dbraw/zinc/54/63/22/674546322.db2.gz PKEAJAZIIMVNMM-UHFFFAOYSA-N 1 0 362.499 2.458 20 30 FEEDRO Cc1ccc(C#N)nc1N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826281063 608543499 /nfs/dbraw/zinc/54/34/99/608543499.db2.gz BUFWOFNFXURDEE-UHFFFAOYSA-N 1 0 374.452 2.154 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@H]2C[C@H](c3ccccc3F)C2)nc1 ZINC000563003096 674833782 /nfs/dbraw/zinc/83/37/82/674833782.db2.gz PEUCAVGCHPAEGR-SHTZXODSSA-N 1 0 359.426 2.402 20 30 FEEDRO C[C@@H]1C(=NNC(=S)NCCC[NH+](C)C)CCCN1Cc1ccccc1 ZINC000814845201 674883729 /nfs/dbraw/zinc/88/37/29/674883729.db2.gz HNAWAPTUJBWMBZ-MRXNPFEDSA-N 1 0 361.559 2.443 20 30 FEEDRO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)CCN1c1ncc(C#N)cc1Cl ZINC001048587780 675011339 /nfs/dbraw/zinc/01/13/39/675011339.db2.gz XWRNIQKBVOBVTA-XHSDSOJGSA-N 1 0 361.877 2.174 20 30 FEEDRO CC[C@@H](CC#N)[NH2+]C[C@@H]1CCCN(C(=O)CNC(=O)OC(C)(C)C)C1 ZINC000816570588 675065771 /nfs/dbraw/zinc/06/57/71/675065771.db2.gz ZLVWIJSFSZAKER-GJZGRUSLSA-N 1 0 352.479 2.032 20 30 FEEDRO C#CCOc1ccc(Br)cc1C[NH2+]CCNC(=O)C1CC1 ZINC000060830879 670389881 /nfs/dbraw/zinc/38/98/81/670389881.db2.gz XMNHGLINRWCTAT-UHFFFAOYSA-N 1 0 351.244 2.077 20 30 FEEDRO C[C@H](C[N@H+](C)Cc1ccccc1)NS(=O)(=O)c1ccc(C#N)cc1F ZINC000565267611 675107129 /nfs/dbraw/zinc/10/71/29/675107129.db2.gz QWFBANCBGOGYDF-CQSZACIVSA-N 1 0 361.442 2.496 20 30 FEEDRO C=C(Br)CNC(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000069117333 670480558 /nfs/dbraw/zinc/48/05/58/670480558.db2.gz NVZVXRYOGNLQGD-UHFFFAOYSA-N 1 0 353.264 2.254 20 30 FEEDRO C[NH+]=C(NCc1cc(Cl)c2c(c1)OCCCO2)NC[C@@H]1CCCO1 ZINC000072733711 670497448 /nfs/dbraw/zinc/49/74/48/670497448.db2.gz XDUGRHXXNMJQOY-ZDUSSCGKSA-N 1 0 353.850 2.345 20 30 FEEDRO C[NH+]=C(NCc1ccnn1C)N(C)Cc1ccccc1Br ZINC000073742402 670506714 /nfs/dbraw/zinc/50/67/14/670506714.db2.gz VTNNTNJUWYINJK-UHFFFAOYSA-N 1 0 350.264 2.390 20 30 FEEDRO CC1=C[C@H](C)C[N@H+](CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)C1 ZINC000569181736 670520686 /nfs/dbraw/zinc/52/06/86/670520686.db2.gz WOTZSAQJKMCJFI-RDJZCZTQSA-N 1 0 358.511 2.355 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNc1ccc(S(N)(=O)=O)cc1C#N)C(C)C ZINC000078601779 670590136 /nfs/dbraw/zinc/59/01/36/670590136.db2.gz JDMVNOCJPDRHPV-SFHVURJKSA-N 1 0 362.499 2.316 20 30 FEEDRO N#CCc1ccc(CS(=O)(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000569718967 670602404 /nfs/dbraw/zinc/60/24/04/670602404.db2.gz LEEKJSZPYHZKIV-IBGZPJMESA-N 1 0 361.511 2.390 20 30 FEEDRO CN(CCC#N)C[C@H](O)C[NH2+][C@@H](c1cncc(Br)c1)C1CC1 ZINC000570202437 670677893 /nfs/dbraw/zinc/67/78/93/670677893.db2.gz IUPFOWGZFMWDRM-HZPDHXFCSA-N 1 0 367.291 2.091 20 30 FEEDRO CCCCOCCCNC1=[NH+]C[C@H]2CN(C(=O)OC(C)(C)C)CCN12 ZINC000089119980 670694643 /nfs/dbraw/zinc/69/46/43/670694643.db2.gz DKUWATYFKFEKIB-HNNXBMFYSA-N 1 0 354.495 2.074 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)Cn2cccc(C(F)(F)F)c2=O)CC1 ZINC000106037018 670808545 /nfs/dbraw/zinc/80/85/45/670808545.db2.gz PSJHEEKCAMJEDH-UHFFFAOYSA-N 1 0 357.376 2.024 20 30 FEEDRO C[NH+]=C(NC[C@H](c1cccs1)N1CCOCC1)N1CCC[C@@H](C)C1 ZINC000113915928 670888738 /nfs/dbraw/zinc/88/87/38/670888738.db2.gz ROKQBZFQCBCFKA-HZPDHXFCSA-N 1 0 350.532 2.429 20 30 FEEDRO C[C@H](C[NH2+]C[C@@H](O)CN(C)CCC#N)Oc1ccc(Br)cc1 ZINC000571908783 670939438 /nfs/dbraw/zinc/93/94/38/670939438.db2.gz DLYSJAGXWOUFGU-UKRRQHHQSA-N 1 0 370.291 2.012 20 30 FEEDRO N#Cc1ccccc1CSCCNC(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000573223538 671096848 /nfs/dbraw/zinc/09/68/48/671096848.db2.gz DFTTUCXONYSMFF-RYQLBKOJSA-N 1 0 358.511 2.479 20 30 FEEDRO N#Cc1ccc(CNC(=O)NCC2([NH+]3CCOCC3)CCCCC2)s1 ZINC000566085425 675179107 /nfs/dbraw/zinc/17/91/07/675179107.db2.gz JORTYGCJZZKYKH-UHFFFAOYSA-N 1 0 362.499 2.454 20 30 FEEDRO CC#CCNC(=O)C(=O)Nc1ccc(SCC[NH+]2CCCCC2)cc1 ZINC000566204433 675193478 /nfs/dbraw/zinc/19/34/78/675193478.db2.gz XYZDYJCYIDMULO-UHFFFAOYSA-N 1 0 359.495 2.343 20 30 FEEDRO C[C@@H]([NH2+]C[C@@H](O)CN(C)CCC#N)c1ccc(Br)cc1F ZINC000576817269 671396808 /nfs/dbraw/zinc/39/68/08/671396808.db2.gz IOFPVICIIVKNFQ-DGCLKSJQSA-N 1 0 358.255 2.445 20 30 FEEDRO CN(CCC[NH+](C)C)C(=O)COc1cccc(Br)c1C#N ZINC000579918583 671769877 /nfs/dbraw/zinc/76/98/77/671769877.db2.gz XPWFODQIANMLOH-UHFFFAOYSA-N 1 0 354.248 2.110 20 30 FEEDRO N#Cc1cc(S(=O)(=O)N2CCCC[C@H]2[C@@H]2CC[NH2+]C2)ccc1Cl ZINC000580174838 671788014 /nfs/dbraw/zinc/78/80/14/671788014.db2.gz PWHAIXUKQMJYON-WBMJQRKESA-N 1 0 353.875 2.364 20 30 FEEDRO C=CCN1CCC([NH2+]C[C@H](O)COc2cccc(Br)c2)CC1 ZINC000580553181 671817556 /nfs/dbraw/zinc/81/75/56/671817556.db2.gz VSLJBBPLFYQLDO-INIZCTEOSA-N 1 0 369.303 2.429 20 30 FEEDRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)Nc1cc(C#N)ccc1Cl ZINC000580725927 671827437 /nfs/dbraw/zinc/82/74/37/671827437.db2.gz GRBBSMMXQJHTSH-ZDUSSCGKSA-N 1 0 362.861 2.387 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2nc(Cl)ccc2Cl)c1C#N ZINC000125607233 672013851 /nfs/dbraw/zinc/01/38/51/672013851.db2.gz VCYNIXIEHNBWAH-UHFFFAOYSA-N 1 0 353.213 2.387 20 30 FEEDRO Cc1nc(CNC(NCC(=O)N(C)C)=[NH+][C@@H]2CCCC[C@H]2C)sc1C ZINC000127801994 672041740 /nfs/dbraw/zinc/04/17/40/672041740.db2.gz TYKTWVSASPNDIP-IUODEOHRSA-N 1 0 365.547 2.462 20 30 FEEDRO CCc1cnc(CNC(=[NH+]C)N2CCN([C@@H](C)C(F)(F)F)CC2)s1 ZINC000133335447 672109635 /nfs/dbraw/zinc/10/96/35/672109635.db2.gz CORGZVHYGKVDFM-NSHDSACASA-N 1 0 363.453 2.349 20 30 FEEDRO CN(C)[C@@H](C[NH2+]CCS(=O)(=O)c1cccc(C#N)c1)C1CCCCC1 ZINC000583989342 672144997 /nfs/dbraw/zinc/14/49/97/672144997.db2.gz YCOMITPLFJKNQY-IBGZPJMESA-N 1 0 363.527 2.432 20 30 FEEDRO CCO[C@H]1C[C@H]([NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)C1(CC)CC ZINC000584017536 672147801 /nfs/dbraw/zinc/14/78/01/672147801.db2.gz WKLKXMGSBQWGQQ-HOTGVXAUSA-N 1 0 365.499 2.300 20 30 FEEDRO CC[NH+]=C(NCC1(O)CCCC1)N[C@H]1CCN(c2ncccc2Cl)C1 ZINC000158966812 672275387 /nfs/dbraw/zinc/27/53/87/672275387.db2.gz BBKIBWCWJQFIQW-AWEZNQCLSA-N 1 0 365.909 2.174 20 30 FEEDRO C[NH+]=C(NCc1scnc1C)N[C@@H]1CCN(c2ncccc2Cl)C1 ZINC000158962205 672275424 /nfs/dbraw/zinc/27/54/24/672275424.db2.gz FRMZAMLEPGEVDL-GFCCVEGCSA-N 1 0 364.906 2.444 20 30 FEEDRO CCOC(=O)CCC1CC[NH+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC1 ZINC000610995829 676009591 /nfs/dbraw/zinc/00/95/91/676009591.db2.gz GBVLFKWTJBUZRQ-HNAYVOBHSA-N 1 0 351.491 2.485 20 30 FEEDRO CCCS(=O)(=O)NC1CC[NH+](Cc2ccc(O[C@H](C)C#N)cc2)CC1 ZINC000180019396 672407972 /nfs/dbraw/zinc/40/79/72/672407972.db2.gz YTGHGEFMZJNVBJ-OAHLLOKOSA-N 1 0 365.499 2.271 20 30 FEEDRO C[C@H]1[C@@H]([NH+](C)C)CCN1S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000590588219 672592712 /nfs/dbraw/zinc/59/27/12/672592712.db2.gz DTRASINMQZMXOY-HZMBPMFUSA-N 1 0 372.288 2.034 20 30 FEEDRO N#Cc1cc(Br)cnc1N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000590685663 672601739 /nfs/dbraw/zinc/60/17/39/672601739.db2.gz KWWRJUXESXIPRU-HNNXBMFYSA-N 1 0 365.275 2.407 20 30 FEEDRO C[N@@H+]1CC[C@@](O)(CNC(=O)Nc2cccc(C#Cc3cccs3)c2)C1 ZINC000680831680 672605285 /nfs/dbraw/zinc/60/52/85/672605285.db2.gz KPPDZIADHIBZBA-LJQANCHMSA-N 1 0 355.463 2.336 20 30 FEEDRO CC1([NH3+])CCN(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)CC1 ZINC000591297670 672666698 /nfs/dbraw/zinc/66/66/98/672666698.db2.gz AZSMNZNUTXMFQD-UHFFFAOYSA-N 1 0 358.833 2.742 20 30 FEEDRO C[C@H]([NH3+])[C@H]1CN(C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)CCO1 ZINC000591305245 672667546 /nfs/dbraw/zinc/66/75/46/672667546.db2.gz ODOCMODMLLZWDE-TVQRCGJNSA-N 1 0 358.320 2.037 20 30 FEEDRO N#CCN1CCC([NH2+]CCC(=O)Nc2ccc(Br)cc2)CC1 ZINC000591735950 672706680 /nfs/dbraw/zinc/70/66/80/672706680.db2.gz AISAXWAKNFVYJG-UHFFFAOYSA-N 1 0 365.275 2.355 20 30 FEEDRO CN(CCC#N)C[C@@H](O)C[NH2+]Cc1cc(Cl)cc(Br)c1 ZINC000591771030 672709881 /nfs/dbraw/zinc/70/98/81/672709881.db2.gz MUQKGBHXRMIGJV-AWEZNQCLSA-N 1 0 360.683 2.398 20 30 FEEDRO C[N@@H+]1CCC[C@H](CNC(=O)N2CC[C@@](O)(CC#N)C2)[C@H]1c1cccs1 ZINC000591965245 672727326 /nfs/dbraw/zinc/72/73/26/672727326.db2.gz HKOMVBRPCDTMJQ-HFTRVMKXSA-N 1 0 362.499 2.191 20 30 FEEDRO C[NH2+][C@@H](C)Cc1noc([C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)n1 ZINC000592355536 672790844 /nfs/dbraw/zinc/79/08/44/672790844.db2.gz REJQASAVETXWKT-JQWIXIFHSA-N 1 0 359.817 2.266 20 30 FEEDRO O=C(NCC[NH2+]Cc1cccc(Br)c1)C1N=CC=CC1=O ZINC000255341946 672889089 /nfs/dbraw/zinc/88/90/89/672889089.db2.gz AMKADNJLRRNALB-CCEZHUSRSA-N 1 0 350.216 2.065 20 30 FEEDRO C[NH+]=C(NCCc1nc(C)c(C)s1)NC[C@@]1(O)CCc2ccccc21 ZINC000261664380 672900947 /nfs/dbraw/zinc/90/09/47/672900947.db2.gz BHJBHNFNUKIGAP-IBGZPJMESA-N 1 0 358.511 2.301 20 30 FEEDRO CCNC(=O)C(C)(C)CNC(=[NH+]CC)N1CCC[C@@]2(CCCOC2)C1 ZINC000261707263 672901650 /nfs/dbraw/zinc/90/16/50/672901650.db2.gz DJJPOUIHRLXKAI-LJQANCHMSA-N 1 0 352.523 2.007 20 30 FEEDRO Cc1cc(Br)cn2c(C[NH2+]C3CCN(CC#N)CC3)cnc12 ZINC000612181064 676072655 /nfs/dbraw/zinc/07/26/55/676072655.db2.gz ANEKMZWPGPCIMT-UHFFFAOYSA-N 1 0 362.275 2.483 20 30 FEEDRO NS(=O)(=O)c1ccccc1CNC(=[NH2+])Nc1cccc2c1CCCC2 ZINC000262292455 672912744 /nfs/dbraw/zinc/91/27/44/672912744.db2.gz HSBXTHUAYLCLKR-UHFFFAOYSA-N 1 0 358.467 2.140 20 30 FEEDRO O=S1(=O)CC[C@H](CNC(NC[C@@H]2CCCCS2)=[NH+]C2CCCC2)C1 ZINC000262346321 672913944 /nfs/dbraw/zinc/91/39/44/672913944.db2.gz DKBOTXDVLPLHNK-ZBFHGGJFSA-N 1 0 373.588 2.185 20 30 FEEDRO CC[C@@H]1CN(C(NC[C@@H]2CCS(=O)(=O)C2)=[NH+]C2CCCC2)CCS1 ZINC000262456449 672916597 /nfs/dbraw/zinc/91/65/97/672916597.db2.gz WULAFGASVRGKPP-GOEBONIOSA-N 1 0 373.588 2.137 20 30 FEEDRO C[NH+]=C(NCCN1CCSCC1)N(C)Cc1nc2c(s1)CCCC2 ZINC000262784690 672920993 /nfs/dbraw/zinc/92/09/93/672920993.db2.gz LZAOQQVSPBMPHO-UHFFFAOYSA-N 1 0 367.588 2.078 20 30 FEEDRO [NH2+]=C(NCCOc1ccc(I)cc1)NC1CCC1 ZINC000263061284 672926778 /nfs/dbraw/zinc/92/67/78/672926778.db2.gz FOAPUBZIISZIGG-UHFFFAOYSA-N 1 0 359.211 2.127 20 30 FEEDRO CC(C)(CNC(=[NH2+])Nc1cc(F)ccc1F)[C@H]1COCC12OCCO2 ZINC000263094878 672927478 /nfs/dbraw/zinc/92/74/78/672927478.db2.gz JGMVIXIWYHNWLM-CQSZACIVSA-N 1 0 355.385 2.107 20 30 FEEDRO [NH2+]=C(NC[C@@H]1CS(=O)(=O)c2ccccc21)Nc1ccc2c(c1)CCC2 ZINC000263177510 672929615 /nfs/dbraw/zinc/92/96/15/672929615.db2.gz SYDQKDRGGBDPFD-OAHLLOKOSA-N 1 0 355.463 2.473 20 30 FEEDRO C[C@@H]1C[C@H](NC(=O)Cc2ccc(Br)cc2C#N)CC[N@@H+]1C ZINC000593486373 672929985 /nfs/dbraw/zinc/92/99/85/672929985.db2.gz URJLVUHKFNXBQZ-IAQYHMDHSA-N 1 0 350.260 2.462 20 30 FEEDRO CCc1cccc(CC)c1NC(=[NH2+])NCc1ccc(S(N)(=O)=O)cc1 ZINC000303695118 673016834 /nfs/dbraw/zinc/01/68/34/673016834.db2.gz DJQZAGCKTHDIMU-UHFFFAOYSA-N 1 0 360.483 2.386 20 30 FEEDRO COc1cccc(NC(=[NH2+])NCCCS(=O)(=O)Cc2ccccc2)c1 ZINC000303900661 673018986 /nfs/dbraw/zinc/01/89/86/673018986.db2.gz SFCLQMGUZKUTFV-UHFFFAOYSA-N 1 0 361.467 2.427 20 30 FEEDRO [NH2+]=C(NCCOC[C@H]1CCCO1)NCc1ccc(OC(F)(F)F)cc1 ZINC000304752371 673020173 /nfs/dbraw/zinc/02/01/73/673020173.db2.gz KEEJIVOIAIGNAG-CQSZACIVSA-N 1 0 361.364 2.185 20 30 FEEDRO CC(C)NC(=[NH2+])NCCC(=O)N(C)Cc1ccccc1Br ZINC000304762016 673020873 /nfs/dbraw/zinc/02/08/73/673020873.db2.gz VCXTZAYVMSOMOE-UHFFFAOYSA-N 1 0 355.280 2.110 20 30 FEEDRO CC(C)(C)NS(=O)(=O)c1ccccc1CNC(=[NH2+])N1CCCCCC1 ZINC000305080837 673021497 /nfs/dbraw/zinc/02/14/97/673021497.db2.gz SCZVDEQABAUWAW-UHFFFAOYSA-N 1 0 366.531 2.454 20 30 FEEDRO [NH2+]=C(NCCCN1CCOCC1)NCC1(c2ccc(F)cc2Cl)CC1 ZINC000305713455 673021846 /nfs/dbraw/zinc/02/18/46/673021846.db2.gz KZASGCNYDMEAIU-UHFFFAOYSA-N 1 0 368.884 2.137 20 30 FEEDRO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C(=O)CCCCC#N)CC1 ZINC000594248406 673048368 /nfs/dbraw/zinc/04/83/68/673048368.db2.gz PCJMIFGVSLXJEY-UHFFFAOYSA-N 1 0 350.507 2.013 20 30 FEEDRO N#CCCCC[C@H]([NH3+])C(=O)Nc1ccc(C(=O)NCC(F)(F)F)cc1 ZINC000594428177 673070739 /nfs/dbraw/zinc/07/07/39/673070739.db2.gz LOPGINGRQSWVKG-ZDUSSCGKSA-N 1 0 356.348 2.328 20 30 FEEDRO COC(=O)c1cc(-c2csc(NC(=O)[C@H]([NH3+])CCCCC#N)n2)c[nH]1 ZINC000594425948 673070945 /nfs/dbraw/zinc/07/09/45/673070945.db2.gz BSBMZAICXRKXKH-LLVKDONJSA-N 1 0 361.427 2.275 20 30 FEEDRO CO[C@H]1C[C@@H](C(=O)Nc2cccc(Cl)c2N2CCOCC2)N(C)C1 ZINC000329034205 673071130 /nfs/dbraw/zinc/07/11/30/673071130.db2.gz MGZAIKWFKOADSG-WFASDCNBSA-N 1 0 353.850 2.484 20 30 FEEDRO N#CCCCC[C@@H]([NH3+])C(=O)NCCc1nc(-c2ccc(Cl)cc2)no1 ZINC000594434757 673071279 /nfs/dbraw/zinc/07/12/79/673071279.db2.gz SNDIDGZCUBZFIO-CQSZACIVSA-N 1 0 361.833 2.460 20 30 FEEDRO COc1ccc(Br)cc1CNC(=O)[C@H]([NH3+])CCCCC#N ZINC000594437360 673071792 /nfs/dbraw/zinc/07/17/92/673071792.db2.gz LQDIFUDVWOUSHT-CYBMUJFWSA-N 1 0 354.248 2.485 20 30 FEEDRO COc1ccc(Br)cc1CNC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594437362 673071976 /nfs/dbraw/zinc/07/19/76/673071976.db2.gz LQDIFUDVWOUSHT-ZDUSSCGKSA-N 1 0 354.248 2.485 20 30 FEEDRO CC[C@@H](C)NS(=O)(=O)c1cccc(NC(=O)[C@H]([NH3+])CCCCC#N)c1 ZINC000594445590 673073002 /nfs/dbraw/zinc/07/30/02/673073002.db2.gz IJEDLGUMIMBZAW-CZUORRHYSA-N 1 0 366.487 2.113 20 30 FEEDRO C[C@@H]1CC[C@@H]([NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)CS1(=O)=O ZINC000594973748 673181568 /nfs/dbraw/zinc/18/15/68/673181568.db2.gz DXJMDDPOCOGGFJ-CXAGYDPISA-N 1 0 358.467 2.014 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N[C@H]2C[NH2+]CC[C@H]2c2ccc(F)cc2)s1 ZINC000595117757 673196498 /nfs/dbraw/zinc/19/64/98/673196498.db2.gz KGXGGDFFWUKICJ-GJZGRUSLSA-N 1 0 365.455 2.183 20 30 FEEDRO N#CCCC[C@H]([NH3+])C(=O)N1CCN(c2ccc(Br)cc2)CC1 ZINC000595255937 673214219 /nfs/dbraw/zinc/21/42/19/673214219.db2.gz GUWIZZUUNOEULC-HNNXBMFYSA-N 1 0 365.275 2.119 20 30 FEEDRO CCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2cc(Br)ccc2C#N)C1 ZINC000595356913 673232217 /nfs/dbraw/zinc/23/22/17/673232217.db2.gz VMRBLHXTHRNHSC-CYBMUJFWSA-N 1 0 372.288 2.083 20 30 FEEDRO C#CCOc1ccc(Br)cc1C[NH2+]CCN1CCO[C@H](C)C1 ZINC000729682821 673243535 /nfs/dbraw/zinc/24/35/35/673243535.db2.gz AQIYXTRHMQQJNI-CQSZACIVSA-N 1 0 367.287 2.271 20 30 FEEDRO CC(C)[C@@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)CC[NH2+]1 ZINC000595413509 673246383 /nfs/dbraw/zinc/24/63/83/673246383.db2.gz UBCDKUCGVAYVQB-AWEZNQCLSA-N 1 0 361.389 2.196 20 30 FEEDRO C[NH+](C)C1(CNC(=O)N2CCN(c3ccsc3C#N)CC2)CCCC1 ZINC000595539689 673263029 /nfs/dbraw/zinc/26/30/29/673263029.db2.gz BWPAJHRTYQNACZ-UHFFFAOYSA-N 1 0 361.515 2.326 20 30 FEEDRO COC[C@H]([NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1)C1CCOCC1 ZINC000595614828 673273663 /nfs/dbraw/zinc/27/36/63/673273663.db2.gz IYUKZAZUYVRRPD-INIZCTEOSA-N 1 0 351.834 2.181 20 30 FEEDRO N#Cc1ccc(NC(=O)CC[N@@H+]2CC[C@H]3NC(=O)CC[C@@H]3C2)cc1Cl ZINC000595744963 673288163 /nfs/dbraw/zinc/28/81/63/673288163.db2.gz WTUSOGYIMPTKSX-CZUORRHYSA-N 1 0 360.845 2.141 20 30 FEEDRO C[NH+]1CCN(c2ccc(-c3noc(-c4cc(C#N)cs4)n3)nc2)CC1 ZINC000596604520 673396920 /nfs/dbraw/zinc/39/69/20/673396920.db2.gz DAPHAWSXKWANTB-UHFFFAOYSA-N 1 0 352.423 2.484 20 30 FEEDRO CCOCCC[N@@H+]1CCC(=NNS(=O)(=O)c2ccc(C)cc2)[C@H](C)C1 ZINC000735224028 673486529 /nfs/dbraw/zinc/48/65/29/673486529.db2.gz KMSLLGGPNDPCFC-MRXNPFEDSA-N 1 0 367.515 2.398 20 30 FEEDRO N#Cc1csc(C[NH2+]C[C@@H]2CCCN(c3nccn4cnnc34)C2)c1 ZINC000539520570 673494308 /nfs/dbraw/zinc/49/43/08/673494308.db2.gz OCMLSTYJXAZPSB-ZDUSSCGKSA-N 1 0 353.455 2.064 20 30 FEEDRO N#Cc1ccc(CSCC(=O)N2CCC[C@@H](N3CCOCC3)C2)cc1 ZINC000597710058 673501459 /nfs/dbraw/zinc/50/14/59/673501459.db2.gz PTHQSASMRHQZOQ-GOSISDBHSA-N 1 0 359.495 2.115 20 30 FEEDRO CCN(C(=O)COc1ccc(C#N)c(Br)c1)[C@@H]1CC[N@H+](C)C1 ZINC000597947453 673522686 /nfs/dbraw/zinc/52/26/86/673522686.db2.gz YSAVOALSHUZAHZ-CYBMUJFWSA-N 1 0 366.259 2.252 20 30 FEEDRO COC(=O)c1cnc([C@@H]2CCC[N@H+](C[C@@H](O)CC(C)(C)C#N)C2)s1 ZINC000598628214 673592738 /nfs/dbraw/zinc/59/27/38/673592738.db2.gz LSGVRCGRSAIOTP-OLZOCXBDSA-N 1 0 351.472 2.410 20 30 FEEDRO CCN(CC)S(=O)(=O)c1ccc(C[NH2+]C[C@@H](O)CC(C)(C)C#N)cc1 ZINC000598714931 673602549 /nfs/dbraw/zinc/60/25/49/673602549.db2.gz KVIMKSASJJOJCS-INIZCTEOSA-N 1 0 367.515 2.107 20 30 FEEDRO CC(C)(C#N)C[C@H](O)C[NH2+]C[C@@H](O)COc1ccccc1Br ZINC000598730602 673604332 /nfs/dbraw/zinc/60/43/32/673604332.db2.gz XCVBPMUWAGZQIR-QWHCGFSZSA-N 1 0 371.275 2.079 20 30 FEEDRO Cc1cc(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)ccc1C#N ZINC000599103874 673633497 /nfs/dbraw/zinc/63/34/97/673633497.db2.gz UHYSSWARHNHEEM-GXTWGEPZSA-N 1 0 361.389 2.015 20 30 FEEDRO Cn1cc(Br)cc1C[N@H+](C)C[C@H](O)CC1(C#N)CCOCC1 ZINC000599312419 673657070 /nfs/dbraw/zinc/65/70/70/673657070.db2.gz RYDQUPUQQNPBEA-OAHLLOKOSA-N 1 0 370.291 2.291 20 30 FEEDRO N#CC1(C[C@H](O)C[N@@H+]2CCCC[C@@H]2[C@@H]2CCCC[C@@H]2O)CCOCC1 ZINC000599392949 673668832 /nfs/dbraw/zinc/66/88/32/673668832.db2.gz CGMLUQWZGJAONH-OKYOBFRVSA-N 1 0 350.503 2.463 20 30 FEEDRO COC1(C(F)(F)F)CC[NH+](C[C@H](O)CC2(C#N)CCOCC2)CC1 ZINC000599439286 673675593 /nfs/dbraw/zinc/67/55/93/673675593.db2.gz NAYQQLKQCMHRRX-CYBMUJFWSA-N 1 0 350.381 2.101 20 30 FEEDRO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CC[NH+](CCCF)CC1 ZINC000599666842 673703814 /nfs/dbraw/zinc/70/38/14/673703814.db2.gz DGQHYHGONZUBRJ-TVRKMHQQSA-N 1 0 352.498 2.283 20 30 FEEDRO CC(C)(C)c1csc(NC(=O)C(=O)N[C@H]2CC[NH2+]C23CCC3)c1C#N ZINC000599891071 673726601 /nfs/dbraw/zinc/72/66/01/673726601.db2.gz LBWLDTKPFGZZMN-ZDUSSCGKSA-N 1 0 360.483 2.257 20 30 FEEDRO C[C@@H]1CC[C@H](NC(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)C[NH2+]1 ZINC000599935018 673728897 /nfs/dbraw/zinc/72/88/97/673728897.db2.gz UZXRUHPSFLPKKV-HIFRSBDPSA-N 1 0 361.877 2.184 20 30 FEEDRO C[NH+](C)C1(CNS(=O)(=O)CC2(C#N)CCCC2)Cc2ccccc2C1 ZINC000545363749 673763050 /nfs/dbraw/zinc/76/30/50/673763050.db2.gz NNHUQSCQPPHXFX-UHFFFAOYSA-N 1 0 361.511 2.089 20 30 FEEDRO N#CC1(C[C@H](O)C[NH2+]Cc2nnc(-c3ccccc3)s2)CCOCC1 ZINC000600728829 673794863 /nfs/dbraw/zinc/79/48/63/673794863.db2.gz BXXKSPWINYRUBK-HNNXBMFYSA-N 1 0 358.467 2.366 20 30 FEEDRO N#CC1(C[C@H](O)C[NH2+]C[C@@H](O)COc2cccc(Cl)c2Cl)CC1 ZINC000600740738 673795807 /nfs/dbraw/zinc/79/58/07/673795807.db2.gz ALPKKKHWGXISQB-NWDGAFQWSA-N 1 0 359.253 2.377 20 30 FEEDRO N#CC1(C[C@H](O)C[NH2+]C[C@@H](CO)Cc2ccc(Br)cc2)CC1 ZINC000600744153 673795860 /nfs/dbraw/zinc/79/58/60/673795860.db2.gz ARBFELTXQZCRRF-HOCLYGCPSA-N 1 0 367.287 2.244 20 30 FEEDRO N#CC1(C[C@@H](O)C[NH2+]C[C@H](CO)Cc2ccccc2Br)CC1 ZINC000600750392 673796580 /nfs/dbraw/zinc/79/65/80/673796580.db2.gz VQEAULIVJIYGRI-UKRRQHHQSA-N 1 0 367.287 2.244 20 30 FEEDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2c(C)cc(F)cc2C#N)[C@@H](C)C1 ZINC000601357015 673847564 /nfs/dbraw/zinc/84/75/64/673847564.db2.gz YGJLMWQUTYQBDV-BBRMVZONSA-N 1 0 353.463 2.357 20 30 FEEDRO Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000601374140 673850838 /nfs/dbraw/zinc/85/08/38/673850838.db2.gz BHCMFXGYJGRTSO-CJNGLKHVSA-N 1 0 351.447 2.111 20 30 FEEDRO Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CC[C@@H]([NH+]2CCCC2)[C@H]1C ZINC000601415020 673858402 /nfs/dbraw/zinc/85/84/02/673858402.db2.gz PGYUEHNCLGRZFP-CZUORRHYSA-N 1 0 351.447 2.253 20 30 FEEDRO C[C@@H]1[C@H]([NH+](C)C)CCN1S(=O)(=O)c1cccc(Br)c1C#N ZINC000601422771 673859999 /nfs/dbraw/zinc/85/99/99/673859999.db2.gz YNHWRLQVGRTGJK-ZWNOBZJWSA-N 1 0 372.288 2.034 20 30 FEEDRO N#Cc1ccccc1OC[C@@H](O)C[NH2+]C[C@H](CO)c1ccc(Cl)cc1 ZINC000601969822 673900629 /nfs/dbraw/zinc/90/06/29/673900629.db2.gz FOQTVTCSWKLTLZ-AEFFLSMTSA-N 1 0 360.841 2.317 20 30 FEEDRO C[NH+](C)CCOC1CCN(c2cc(C#N)c(Br)cn2)CC1 ZINC000603292771 673922867 /nfs/dbraw/zinc/92/28/67/673922867.db2.gz OZLFKLYGHJMRQS-UHFFFAOYSA-N 1 0 353.264 2.263 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)[C@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC000818584727 675226024 /nfs/dbraw/zinc/22/60/24/675226024.db2.gz WCWALPMFCLEMKY-LJQANCHMSA-N 1 0 351.491 2.095 20 30 FEEDRO C[C@@](O)(C[NH2+]C1CCN(CC#N)CC1)c1ccc(Br)cc1F ZINC000819033942 675254315 /nfs/dbraw/zinc/25/43/15/675254315.db2.gz KGVMIQPUYVSJCP-MRXNPFEDSA-N 1 0 370.266 2.373 20 30 FEEDRO CC(C)[NH+]1CCN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)CC1 ZINC000819081710 675259170 /nfs/dbraw/zinc/25/91/70/675259170.db2.gz NSABRUCSJBRYGB-OAHLLOKOSA-N 1 0 352.479 2.126 20 30 FEEDRO Cc1nc2c(s1)[C@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)CCC2 ZINC000819217429 675270703 /nfs/dbraw/zinc/27/07/03/675270703.db2.gz ZPYLVRYJORYCLY-CYBMUJFWSA-N 1 0 362.480 2.159 20 30 FEEDRO C[NH+](C)[C@H]1CCCN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)C1 ZINC000819225537 675271568 /nfs/dbraw/zinc/27/15/68/675271568.db2.gz DCDSJKHZBIQPIW-GJZGRUSLSA-N 1 0 352.479 2.126 20 30 FEEDRO C[NH+](C)C[C@H]1CCCN1C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C ZINC000819230868 675272173 /nfs/dbraw/zinc/27/21/73/675272173.db2.gz MYJNITVEDHOAKX-CABCVRRESA-N 1 0 352.479 2.126 20 30 FEEDRO C#CCOCC[NH2+]C[C@H](O)COc1ccc(Cl)cc1Br ZINC000819230985 675272201 /nfs/dbraw/zinc/27/22/01/675272201.db2.gz OGEYMRXBSYZGAJ-LBPRGKRZSA-N 1 0 362.651 2.082 20 30 FEEDRO C=CC[C@H](CO)CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC000567298663 675282288 /nfs/dbraw/zinc/28/22/88/675282288.db2.gz KUFQYHZKGNQIIR-IRXDYDNUSA-N 1 0 352.425 2.445 20 30 FEEDRO C#CCN(C)CCC[NH2+]CCS(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000819335470 675282415 /nfs/dbraw/zinc/28/24/15/675282415.db2.gz YCWDHEOEVNLTGB-UHFFFAOYSA-N 1 0 350.528 2.303 20 30 FEEDRO C[NH+](C)CC1(NC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)CCC1 ZINC000819521415 675295921 /nfs/dbraw/zinc/29/59/21/675295921.db2.gz GILSXHVJCNDYHE-CQSZACIVSA-N 1 0 352.479 2.174 20 30 FEEDRO CC[N@@H+]1CCN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000819527299 675296432 /nfs/dbraw/zinc/29/64/32/675296432.db2.gz KSZIOBPRMKFGSP-LSDHHAIUSA-N 1 0 352.479 2.126 20 30 FEEDRO CC[N@@H+]1CCN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000819527297 675296451 /nfs/dbraw/zinc/29/64/51/675296451.db2.gz KSZIOBPRMKFGSP-GJZGRUSLSA-N 1 0 352.479 2.126 20 30 FEEDRO Cc1ccccc1OCCC[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000567678935 675311621 /nfs/dbraw/zinc/31/16/21/675311621.db2.gz FJELFUISHIFUEP-UHFFFAOYSA-N 1 0 359.451 2.094 20 30 FEEDRO C#C[C@H](NC(=O)N[C@@H]1CCC[N@@H+](CCCO)C1)c1ccc(Cl)cc1F ZINC000820750081 675385051 /nfs/dbraw/zinc/38/50/51/675385051.db2.gz KEDHLQGRHAPUCV-PBHICJAKSA-N 1 0 367.852 2.299 20 30 FEEDRO C#CCN(CC(=O)NC[C@H](c1ccsc1)[NH+](C)C)C(=O)OC(C)(C)C ZINC000821253711 675423349 /nfs/dbraw/zinc/42/33/49/675423349.db2.gz SIFPCLCFUYETLP-OAHLLOKOSA-N 1 0 365.499 2.337 20 30 FEEDRO C#CCN(CC(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1)C(=O)OC(C)(C)C ZINC000823333226 675545459 /nfs/dbraw/zinc/54/54/59/675545459.db2.gz URPRGMCPYOLMIY-HZPDHXFCSA-N 1 0 351.491 2.093 20 30 FEEDRO C=CCS(=O)(=O)CC[NH2+]C[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000824142723 675585768 /nfs/dbraw/zinc/58/57/68/675585768.db2.gz PHAWJVNKFOTXJZ-GJZGRUSLSA-N 1 0 360.520 2.212 20 30 FEEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000622025634 676486329 /nfs/dbraw/zinc/48/63/29/676486329.db2.gz VFGNMVLCELOJAX-SJCJKPOMSA-N 1 0 367.902 2.256 20 30 FEEDRO C=CCc1cc(C[NH2+][C@@H]2CCCC[C@H]2NS(C)(=O)=O)cc(OC)c1O ZINC000623670388 676546016 /nfs/dbraw/zinc/54/60/16/676546016.db2.gz OCVHNUCWCQVNEC-HZPDHXFCSA-N 1 0 368.499 2.079 20 30 FEEDRO C=CCN(Cc1ccc(Cl)s1)S(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC000631909374 676963456 /nfs/dbraw/zinc/96/34/56/676963456.db2.gz COQXVPWOJYENBG-UHFFFAOYSA-N 1 0 363.936 2.318 20 30 FEEDRO C[C@@]12C[NH+](CC#Cc3ccc(C(F)(F)F)cc3)C[C@@]1(C)C(=O)NC2=O ZINC000639950811 677169773 /nfs/dbraw/zinc/16/97/73/677169773.db2.gz DSDXKSFCMKXLCO-IRXDYDNUSA-N 1 0 350.340 2.042 20 30 FEEDRO CC(C)([NH3+])CCNC(=O)C(=O)Nc1cccc(C#Cc2cccs2)c1 ZINC000641822307 677216316 /nfs/dbraw/zinc/21/63/16/677216316.db2.gz RMULUBGGVHMXCD-UHFFFAOYSA-N 1 0 355.463 2.330 20 30 FEEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000642901934 677222254 /nfs/dbraw/zinc/22/22/54/677222254.db2.gz HCGSYZIPGRMLJJ-LBPRGKRZSA-N 1 0 355.891 2.174 20 30 FEEDRO C=C(C)[C@H](CO)[NH+]1CCN(CCCc2nc(-c3cccs3)no2)CC1 ZINC000649223164 677327864 /nfs/dbraw/zinc/32/78/64/677327864.db2.gz ZFBWNKSLKBIQFF-HNNXBMFYSA-N 1 0 362.499 2.285 20 30 FEEDRO N#Cc1ccccc1CSCC[NH2+]Cc1ccc(OCC(N)=O)cc1 ZINC000760555723 680692528 /nfs/dbraw/zinc/69/25/28/680692528.db2.gz JUNFKWHYLMITAU-UHFFFAOYSA-N 1 0 355.463 2.445 20 30 FEEDRO C=CCOc1c(Br)cc(C[NH2+][C@H]2C[C@@H](C(N)=O)C2)cc1OC ZINC000651941571 677463782 /nfs/dbraw/zinc/46/37/82/677463782.db2.gz AMJSOUMJZMDVHO-TXEJJXNPSA-N 1 0 369.259 2.376 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000838624157 680706716 /nfs/dbraw/zinc/70/67/16/680706716.db2.gz JSPKRLDZERBASB-UHFFFAOYSA-N 1 0 356.329 2.273 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)C(=O)NCc1ccccc1C[NH2+]C ZINC000652719815 677497446 /nfs/dbraw/zinc/49/74/46/677497446.db2.gz NHBOLFRATUGQPU-UHFFFAOYSA-N 1 0 357.479 2.299 20 30 FEEDRO C=CCN1CC[C@@H]([NH+]2CCC([C@H](O)c3cc(F)ccc3F)CC2)C1=O ZINC000839152492 680741881 /nfs/dbraw/zinc/74/18/81/680741881.db2.gz OYHATJSWGAFYBP-MSOLQXFVSA-N 1 0 350.409 2.497 20 30 FEEDRO C#Cc1cccc(NC(=S)NCc2ccnc(OCC[NH+](C)C)c2)c1 ZINC000762460763 680750391 /nfs/dbraw/zinc/75/03/91/680750391.db2.gz IXKGWIHBVDOWDM-UHFFFAOYSA-N 1 0 354.479 2.490 20 30 FEEDRO C=CC[C@H]1CCC[N@@H+](CC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)C1 ZINC000661380582 678472834 /nfs/dbraw/zinc/47/28/34/678472834.db2.gz OJMXEWMKYWLYJC-HNNXBMFYSA-N 1 0 365.499 2.164 20 30 FEEDRO N#Cc1ccc(NC(=O)CC[N@@H+]2CCN3C(=O)OCC[C@@H]3C2)cc1Cl ZINC000764446464 680809552 /nfs/dbraw/zinc/80/95/52/680809552.db2.gz IGPNDYWOSMHABB-CQSZACIVSA-N 1 0 362.817 2.067 20 30 FEEDRO C=C(C)Cn1c([C@@H](C)OCCOC)nnc1N1CC[N@@H+](CC)[C@@H](C)C1 ZINC000670230173 679276613 /nfs/dbraw/zinc/27/66/13/679276613.db2.gz LSTLNWWDRFHXOR-JKSUJKDBSA-N 1 0 351.495 2.109 20 30 FEEDRO C#CCC[NH+]1CCC(NS(=O)(=O)c2ccc3nc(C)sc3c2)CC1 ZINC000840951656 680856271 /nfs/dbraw/zinc/85/62/71/680856271.db2.gz DRAKPLOOQAIQQR-UHFFFAOYSA-N 1 0 363.508 2.371 20 30 FEEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)Nc1ccc(OC(F)F)cc1OC(F)F ZINC000841046637 680860850 /nfs/dbraw/zinc/86/08/50/680860850.db2.gz DFBYAVYHSZKMRO-GMSGAONNSA-N 1 0 362.283 2.122 20 30 FEEDRO C=C(Br)CN1CCC2(C[C@H]2NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001016632552 680060121 /nfs/dbraw/zinc/06/01/21/680060121.db2.gz RHRYURLGBQTBOY-RBSFLKMASA-N 1 0 370.335 2.206 20 30 FEEDRO C=CCC[N@@H+]1CC[C@@]2(NC(=O)[C@@H]3OCCO[C@@H]3C(F)(F)F)CCC[C@@H]12 ZINC000991391853 680080179 /nfs/dbraw/zinc/08/01/79/680080179.db2.gz WMVHMVVKTRFAGV-NYTXWWLZSA-N 1 0 362.392 2.022 20 30 FEEDRO C=CCC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3OCCO[C@@H]3C(F)(F)F)CCC[C@@H]12 ZINC000991391848 680080226 /nfs/dbraw/zinc/08/02/26/680080226.db2.gz WMVHMVVKTRFAGV-HGTKMLMNSA-N 1 0 362.392 2.022 20 30 FEEDRO C[N@H+](CC1CC1)C[C@@H]1CCN(S(=O)(=O)c2cccc(F)c2C#N)C1 ZINC000751476319 680180929 /nfs/dbraw/zinc/18/09/29/680180929.db2.gz RLNSXOBTMPNNJG-AWEZNQCLSA-N 1 0 351.447 2.050 20 30 FEEDRO C[NH+](C)CCN(Cc1ccco1)S(=O)(=O)c1cccc(F)c1C#N ZINC000751491552 680182913 /nfs/dbraw/zinc/18/29/13/680182913.db2.gz CJXLUFZKJUHNOA-UHFFFAOYSA-N 1 0 351.403 2.043 20 30 FEEDRO C=C(Cl)C(C)(C)C(=O)N1C[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001022037954 680192529 /nfs/dbraw/zinc/19/25/29/680192529.db2.gz FTUXEGVTCJDAAO-JKSUJKDBSA-N 1 0 367.921 2.166 20 30 FEEDRO C[C@H]1C[N@H+](C)CC1N=Nc1cc(C(F)(F)F)nc(-c2ccncc2)n1 ZINC000752165233 680226208 /nfs/dbraw/zinc/22/62/08/680226208.db2.gz HLLFWCDPRAMTCC-JTQLQIEISA-N 1 0 350.348 2.329 20 30 FEEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)c1ccc(Sc2ccccc2Cl)nn1 ZINC000834489040 680234055 /nfs/dbraw/zinc/23/40/55/680234055.db2.gz IOAVGWQVYMCIMU-MFKMUULPSA-N 1 0 359.842 2.123 20 30 FEEDRO Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000834506633 680236454 /nfs/dbraw/zinc/23/64/54/680236454.db2.gz UOAKGNPQWALFCC-LSDHHAIUSA-N 1 0 357.845 2.043 20 30 FEEDRO C[C@H](Oc1ccc(Cl)cc1Br)C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000834516733 680237115 /nfs/dbraw/zinc/23/71/15/680237115.db2.gz LLHHRJSBRALBJO-HOTUBEGUSA-N 1 0 372.650 2.098 20 30 FEEDRO C[NH+]1CCC(Oc2ccc(Cl)cc2NCC(=O)NCCC#N)CC1 ZINC000834681126 680255968 /nfs/dbraw/zinc/25/59/68/680255968.db2.gz YCEPZUQTBPQOKY-UHFFFAOYSA-N 1 0 350.850 2.255 20 30 FEEDRO C[NH+](C)C[C@](C)(CN=Nc1ccccc1S(N)(=O)=O)c1ccccc1 ZINC000834976362 680285863 /nfs/dbraw/zinc/28/58/63/680285863.db2.gz DGNNWYDPURPIHZ-SFHVURJKSA-N 1 0 360.483 2.251 20 30 FEEDRO C=C(Cl)CN1CC[NH+](C2CCC(NC(=O)[C@H]3OCC[C@H]3C)CC2)CC1 ZINC000996790371 680340931 /nfs/dbraw/zinc/34/09/31/680340931.db2.gz WSWUCIZEPPRKJH-LTDKPHRXSA-N 1 0 369.937 2.209 20 30 FEEDRO C=C(Br)C[NH2+]C1CCN(C(=O)[C@@H]2CCO[C@H]2C2CC2)CC1 ZINC000996829756 680342430 /nfs/dbraw/zinc/34/24/30/680342430.db2.gz GYGJIHNFPQWRMA-CABCVRRESA-N 1 0 357.292 2.291 20 30 FEEDRO CC(C)(C)OC(=O)NC[C@H]([NH2+]CC(=O)NCCC#N)C1CCCCC1 ZINC000754186781 680342643 /nfs/dbraw/zinc/34/26/43/680342643.db2.gz WRBMGMSQFBWTLY-HNNXBMFYSA-N 1 0 352.479 2.079 20 30 FEEDRO N#Cc1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)C2)s1 ZINC000984347450 680348387 /nfs/dbraw/zinc/34/83/87/680348387.db2.gz KJZWXABQJYYLJS-TZUPDSNESA-N 1 0 359.495 2.419 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2nnc(CCC)s2)C1 ZINC001027075634 680354842 /nfs/dbraw/zinc/35/48/42/680354842.db2.gz XAZOAZFIZHLCII-ZNMIVQPWSA-N 1 0 364.515 2.020 20 30 FEEDRO CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCN2Cc2ccc(C#N)s2)CC[N@@H+]1C ZINC001027893041 680363469 /nfs/dbraw/zinc/36/34/69/680363469.db2.gz KWKOETAWXQULEM-FHLIZLRMSA-N 1 0 360.527 2.431 20 30 FEEDRO N#Cc1ccc(C[N@H+]2CC[C@@H](CNC(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)C2)s1 ZINC001028697329 680380593 /nfs/dbraw/zinc/38/05/93/680380593.db2.gz NMGGCYGWPHLGFK-DFEHZGFQSA-N 1 0 359.495 2.373 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H](C[N@@H+](C)CC2CCOCC2)C1 ZINC001029739483 680390493 /nfs/dbraw/zinc/39/04/93/680390493.db2.gz ORUYJAOHAIREII-OTWHNJEPSA-N 1 0 350.503 2.175 20 30 FEEDRO CC(C)[C@H](CNc1cccc(S(N)(=O)=O)c1C#N)[NH+]1CCC(C)CC1 ZINC000754980047 680391758 /nfs/dbraw/zinc/39/17/58/680391758.db2.gz NNGANPJXCIKDSG-KRWDZBQOSA-N 1 0 364.515 2.374 20 30 FEEDRO N#Cc1ccc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3c[nH]cn3)C2)s1 ZINC000999414819 680402622 /nfs/dbraw/zinc/40/26/22/680402622.db2.gz XHRUIXNBSWXTNL-DAXOMENPSA-N 1 0 355.467 2.227 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC1C[NH+](C[C@@H]2CC(C)(C)CO2)C1 ZINC001032041720 680411610 /nfs/dbraw/zinc/41/16/10/680411610.db2.gz YFGJUAQVTBSFQW-BZSNNMDCSA-N 1 0 350.503 2.221 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2cnc(Cl)s2)C1 ZINC001000234942 680424321 /nfs/dbraw/zinc/42/43/21/680424321.db2.gz LETVXKOECVAPPX-YUTCNCBUSA-N 1 0 355.891 2.468 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCCC[N@H+](CC2CCOCC2)C1 ZINC001034440817 680436159 /nfs/dbraw/zinc/43/61/59/680436159.db2.gz YWSDEDCUJUCLQH-FHWLQOOXSA-N 1 0 350.503 2.365 20 30 FEEDRO C[C@H]1C[N@@H+](C2CC2)CC1N=Nc1ncnc2c1c(Br)nn2C ZINC000755890701 680442930 /nfs/dbraw/zinc/44/29/30/680442930.db2.gz YBBBMZFZGGCVNG-QMMMGPOBSA-N 1 0 364.251 2.008 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([N@H+](C)C[C@H]2CCCCO2)CC1 ZINC000985436191 680447733 /nfs/dbraw/zinc/44/77/33/680447733.db2.gz XZXDYXPXFZKPJB-QRVBRYPASA-N 1 0 350.503 2.460 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[N@H+](CC2CCCCCC2)CCO1 ZINC001035514314 680449333 /nfs/dbraw/zinc/44/93/33/680449333.db2.gz CJHIRQFLPKSAES-OTWHNJEPSA-N 1 0 350.503 2.365 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N[C@H](C)[C@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000836317618 680450197 /nfs/dbraw/zinc/45/01/97/680450197.db2.gz GFDHUPNVUBZBMK-KGLIPLIRSA-N 1 0 354.495 2.238 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](CC2CCCCC2)CCO1 ZINC001035543831 680450497 /nfs/dbraw/zinc/45/04/97/680450497.db2.gz WPEVJPUEAYHJNX-QYZOEREBSA-N 1 0 350.503 2.365 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC([N@H+](C)C[C@@H]2CCCOC2)CC1 ZINC000985698131 680471885 /nfs/dbraw/zinc/47/18/85/680471885.db2.gz YRYNTYOPGLYERT-WDSOQIARSA-N 1 0 350.503 2.317 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1CC[NH+](C[C@H]2CCCCO2)CC1 ZINC001001936375 680482644 /nfs/dbraw/zinc/48/26/44/680482644.db2.gz ZLXISXCOXKONPZ-QYZOEREBSA-N 1 0 350.503 2.365 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)NC1CC[NH+](C[C@@H]2CC(C)(C)CO2)CC1 ZINC001002847374 680510209 /nfs/dbraw/zinc/51/02/09/680510209.db2.gz RVSYRQUPFSCZAH-KSZLIROESA-N 1 0 350.503 2.363 20 30 FEEDRO C[C@H]1CC(N=Nc2ccc(S(N)(=O)=O)cc2)C[N@@H+]1Cc1ccccc1 ZINC000757560128 680526097 /nfs/dbraw/zinc/52/60/97/680526097.db2.gz DFZTUYYLQPFXRK-AWEZNQCLSA-N 1 0 358.467 2.396 20 30 FEEDRO CCS(=O)(=O)N1CCC(C[NH2+][C@H](C)c2ccc(OCC#N)cc2)CC1 ZINC000757702259 680532508 /nfs/dbraw/zinc/53/25/08/680532508.db2.gz CGIFCSORCXNNGX-OAHLLOKOSA-N 1 0 365.499 2.301 20 30 FEEDRO C#CCOc1ccc([C@H](C)[NH2+]CC2CCN(S(=O)(=O)CC)CC2)cc1 ZINC000757703010 680532680 /nfs/dbraw/zinc/53/26/80/680532680.db2.gz FDXWCQZWUBTTAL-INIZCTEOSA-N 1 0 364.511 2.411 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1C[NH+](C[C@H](OC)C2CCCC2)C1 ZINC001042743018 680541425 /nfs/dbraw/zinc/54/14/25/680541425.db2.gz CYFMPMAEMPATBH-QYZOEREBSA-N 1 0 350.503 2.315 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CC[NH+](CC2CC(OCC)C2)CC1 ZINC001003786794 680541908 /nfs/dbraw/zinc/54/19/08/680541908.db2.gz BRQXNXMEQQGPLW-FYOYPEGLSA-N 1 0 350.503 2.363 20 30 FEEDRO C[C@@H]1[C@H](C(=O)N(C)C2CN(CC#Cc3ccccc3Cl)C2)CC[N@@H+]1C ZINC001042746823 680541983 /nfs/dbraw/zinc/54/19/83/680541983.db2.gz PUGDIVGRDPCRJZ-CRAIPNDOSA-N 1 0 359.901 2.174 20 30 FEEDRO C=C(C[NH+](C)C)C(=O)N[C@H](CCNC(=O)OC(C)(C)C)C(F)(F)F ZINC000837127219 680556374 /nfs/dbraw/zinc/55/63/74/680556374.db2.gz VTAJXQYJOSTXIV-LLVKDONJSA-N 1 0 353.385 2.066 20 30 FEEDRO C=C(Cl)CN1CCC[C@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001007360673 680636863 /nfs/dbraw/zinc/63/68/63/680636863.db2.gz SUYKSDKYTRWYJI-KSZLIROESA-N 1 0 369.937 2.066 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CC2(CO1)CC[NH+](C/C=C/Cl)CC2 ZINC001045678065 680638019 /nfs/dbraw/zinc/63/80/19/680638019.db2.gz JSXHYILUNINGMQ-GDSGFVDMSA-N 1 0 368.905 2.317 20 30 FEEDRO C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H](Nc3nc(Cl)c(C#N)s3)C2)CC[N@@H+]1C ZINC001047066074 680657009 /nfs/dbraw/zinc/65/70/09/680657009.db2.gz VMHVWMGYVNZPNC-DDHJBXDOSA-N 1 0 367.906 2.315 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)C(F)(F)c2ccc(F)cc2)c1C#N ZINC000760305118 680682382 /nfs/dbraw/zinc/68/23/82/680682382.db2.gz AJDQWFFNFUZSGE-UHFFFAOYSA-N 1 0 351.332 2.303 20 30 FEEDRO CCOC(=O)c1cc(C(C)(C)C)sc1NC(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000841160615 680866850 /nfs/dbraw/zinc/86/68/50/680866850.db2.gz JDVIBHHAPIIRCD-ZYHUDNBSSA-N 1 0 364.471 2.455 20 30 FEEDRO CCOC(=O)c1cc2cc(NC(=O)N[C@H]3C[NH2+]C[C@H]3C#N)ccc2s1 ZINC000841162236 680866896 /nfs/dbraw/zinc/86/68/96/680866896.db2.gz RJWQPCCTVMWLFV-YPMHNXCESA-N 1 0 358.423 2.311 20 30 FEEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)Nc1ccn(-c2ccc(Cl)cc2Cl)n1 ZINC000841170785 680867245 /nfs/dbraw/zinc/86/72/45/680867245.db2.gz ISMXQASEKPXNBT-SKDRFNHKSA-N 1 0 365.224 2.412 20 30 FEEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)Nc1ccc(F)cc1OCCC(F)(F)F ZINC000841229893 680870207 /nfs/dbraw/zinc/87/02/07/680870207.db2.gz HAVFDQMNQSTGBU-BXKDBHETSA-N 1 0 360.311 2.390 20 30 FEEDRO CCOc1cc(Br)c(F)cc1NC(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000841246208 680871081 /nfs/dbraw/zinc/87/10/81/680871081.db2.gz AJVWMTAUDJMDAY-UFBFGSQYSA-N 1 0 371.210 2.220 20 30 FEEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)Nc1cccc2c(Br)ccnc12 ZINC000841259427 680871866 /nfs/dbraw/zinc/87/18/66/680871866.db2.gz OWDIIQPQTHIEIX-TVQRCGJNSA-N 1 0 360.215 2.230 20 30 FEEDRO N#Cc1ccc(-c2cccc(CNC(=O)NC[C@H]3C[NH2+]CCO3)c2)s1 ZINC000841831480 680914193 /nfs/dbraw/zinc/91/41/93/680914193.db2.gz UMSXWXMTOUJICV-OAHLLOKOSA-N 1 0 356.451 2.074 20 30 FEEDRO C#C[C@@H](NC(=O)NCC[C@@H]1CC[NH2+]C1)c1ccc(Br)cc1 ZINC000841938140 680917944 /nfs/dbraw/zinc/91/79/44/680917944.db2.gz IGUXUINSUFHAKM-SWLSCSKDSA-N 1 0 350.260 2.422 20 30 FEEDRO C#CC[C@@H]1NC(=O)N(C[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)C1=O ZINC000842245629 680934553 /nfs/dbraw/zinc/93/45/53/680934553.db2.gz TYKNUKBYTKEALI-UHOFOFEASA-N 1 0 363.820 2.416 20 30 FEEDRO CCOCCC[NH+]=C(NC[C@H](O)COc1ccccc1)NC(C)(C)C ZINC000912498736 685387080 /nfs/dbraw/zinc/38/70/80/685387080.db2.gz FRDNZWOYZHTHRP-INIZCTEOSA-N 1 0 351.491 2.187 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@@H](C[NH2+]Cc2cccc(Cl)c2)C1 ZINC001051834076 681069752 /nfs/dbraw/zinc/06/97/52/681069752.db2.gz GJUNKMCVLKCOOG-KSZLIROESA-N 1 0 364.873 2.248 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1COC2(C[NH+](CCC(C)(C)C)C2)C1 ZINC001053805260 681103997 /nfs/dbraw/zinc/10/39/97/681103997.db2.gz NHFVAOVXZHGWSS-ZACQAIPSSA-N 1 0 350.503 2.363 20 30 FEEDRO Cc1nsc(NC[C@@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C[C@H]2C)c1C#N ZINC001054426862 681108759 /nfs/dbraw/zinc/10/87/59/681108759.db2.gz XHEXCRUZGRLDKM-VHDGCEQUSA-N 1 0 361.515 2.171 20 30 FEEDRO C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N(CC#N)C1CCCC1 ZINC000845578544 681138883 /nfs/dbraw/zinc/13/88/83/681138883.db2.gz ZHGLESYYJXVGMJ-HNNXBMFYSA-N 1 0 352.479 2.126 20 30 FEEDRO C=C[C@H](C)ONC(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000845636382 681142171 /nfs/dbraw/zinc/14/21/71/681142171.db2.gz OBSDLZYWOVSRFN-AWEZNQCLSA-N 1 0 350.438 2.273 20 30 FEEDRO C[C@@H]1[C@H](C(=O)N2CCC[C@H](Nc3nc(Cl)c(C#N)s3)C2)CC[N@@H+]1C ZINC001057770992 681164140 /nfs/dbraw/zinc/16/41/40/681164140.db2.gz QWGWNEOEVSDEJI-GRYCIOLGSA-N 1 0 367.906 2.411 20 30 FEEDRO C[NH+]1CCC(C#N)(NC(=O)c2cc(Br)c3nccnc3c2)CC1 ZINC000932178953 681188756 /nfs/dbraw/zinc/18/87/56/681188756.db2.gz VMQWAJQXQZAVKP-UHFFFAOYSA-N 1 0 374.242 2.110 20 30 FEEDRO Cc1nsc(N2CCCC[C@H]2CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1C#N ZINC001060184925 681197756 /nfs/dbraw/zinc/19/77/56/681197756.db2.gz ORRLQYGQOPRDBG-QLFBSQMISA-N 1 0 361.515 2.139 20 30 FEEDRO C=CCN1CC[C@H]([N@H+]2CC[C@@H](CNC(=O)OC(C)(C)C)[C@H](C)C2)C1=O ZINC000932709670 681293847 /nfs/dbraw/zinc/29/38/47/681293847.db2.gz XIGYMMBREBGZCV-PMPSAXMXSA-N 1 0 351.491 2.256 20 30 FEEDRO C=CCC[C@H](O)C[N@@H+]1CCOC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000932714946 681295281 /nfs/dbraw/zinc/29/52/81/681295281.db2.gz XCWLSOCCEYLDNY-INIZCTEOSA-N 1 0 354.491 2.415 20 30 FEEDRO C#CC[C@H]([NH2+]CC(=O)Nc1ccc(S(C)(=O)=O)cc1)c1ccccc1 ZINC000775398732 681304345 /nfs/dbraw/zinc/30/43/45/681304345.db2.gz LJGIXXMYUOKMJH-SFHVURJKSA-N 1 0 356.447 2.383 20 30 FEEDRO C=CCC[C@H](O)C[NH+]1CCC(OC2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000932795313 681312337 /nfs/dbraw/zinc/31/23/37/681312337.db2.gz KRMOKRGRJBSLTL-HNNXBMFYSA-N 1 0 354.491 2.414 20 30 FEEDRO C[NH+](C)C1(CNC(=O)N[C@@H](CC#N)C(F)(F)F)Cc2ccccc2C1 ZINC000932916132 681327604 /nfs/dbraw/zinc/32/76/04/681327604.db2.gz QJGQAVHFCNAMBM-AWEZNQCLSA-N 1 0 354.376 2.229 20 30 FEEDRO CC(C)OCC[NH+]1CCC(NC(=O)N[C@@H](CC#N)C(F)(F)F)CC1 ZINC000932917554 681327937 /nfs/dbraw/zinc/32/79/37/681327937.db2.gz VEINXRSHZFSAFO-ZDUSSCGKSA-N 1 0 350.385 2.020 20 30 FEEDRO CS[C@@H]1CN(C(=O)Cc2cccc(OCC#N)c2)C[C@H]1[NH+]1CCCC1 ZINC000776210240 681372377 /nfs/dbraw/zinc/37/23/77/681372377.db2.gz DBZLYBYQAQURQY-QZTJIDSGSA-N 1 0 359.495 2.170 20 30 FEEDRO C#C[C@@H](NC(=O)N(CC[NH+](CC)CC)CCC(F)(F)F)[C@@H]1CCCO1 ZINC000776230005 681375041 /nfs/dbraw/zinc/37/50/41/681375041.db2.gz ZDHGJMTVBFTAFC-CABCVRRESA-N 1 0 363.424 2.473 20 30 FEEDRO C#CC[N@H+]1CCC[C@H]1COC(=O)CN(CC1CC1)C(=O)OC(C)(C)C ZINC000777309649 681480767 /nfs/dbraw/zinc/48/07/67/681480767.db2.gz CNDSHFRHPFKMIQ-INIZCTEOSA-N 1 0 350.459 2.274 20 30 FEEDRO N#Cc1cc(Br)ccc1CN1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000934270373 681541003 /nfs/dbraw/zinc/54/10/03/681541003.db2.gz UXIZWXSJXLSBAR-IRXDYDNUSA-N 1 0 364.287 2.352 20 30 FEEDRO C=CC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1CCCO[C@H]1C(C)C)CCO2 ZINC000949099065 681617382 /nfs/dbraw/zinc/61/73/82/681617382.db2.gz UWFCUUVVNKICIO-ROUUACIJSA-N 1 0 350.503 2.317 20 30 FEEDRO CN(C)[S@](C)(=O)=NCC1CC[NH+](CCOc2ccccc2C#N)CC1 ZINC000934759524 681625091 /nfs/dbraw/zinc/62/50/91/681625091.db2.gz KIPWMYAKAHPXGW-RUZDIDTESA-N 1 0 364.515 2.223 20 30 FEEDRO C=C(Cl)C(C)(C)C(=O)N1C[C@@H](C)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC000949361876 681634410 /nfs/dbraw/zinc/63/44/10/681634410.db2.gz JDGFXTHPVCFXPI-UKRRQHHQSA-N 1 0 367.921 2.357 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC2(CC1)C[N@H+](CCCF)CCO2 ZINC000949370200 681635621 /nfs/dbraw/zinc/63/56/21/681635621.db2.gz NQSLMPLKQQEYAF-SJORKVTESA-N 1 0 354.466 2.021 20 30 FEEDRO C[C@H](CNC1=[NH+]C[C@H]2CN(C(=O)OC(C)(C)C)CCN12)CC(F)(F)F ZINC000849117645 681658452 /nfs/dbraw/zinc/65/84/52/681658452.db2.gz ONLSHWKFWIYAKS-RYUDHWBXSA-N 1 0 364.412 2.455 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N[C@H](C)CCNC(=O)OC(C)(C)C)CC1 ZINC000779351003 681707078 /nfs/dbraw/zinc/70/70/78/681707078.db2.gz MDHDURMLTVSINY-CQSZACIVSA-N 1 0 354.495 2.239 20 30 FEEDRO C=CC1(CC(=O)N2CC[N@@H+](C)[C@H](C)[C@@H]2C)CN(C(=O)OC(C)(C)C)C1 ZINC000935211444 681711271 /nfs/dbraw/zinc/71/12/71/681711271.db2.gz CLOZLRVMGVTSHM-CABCVRRESA-N 1 0 351.491 2.351 20 30 FEEDRO C[NH+]1C[C@]2(C)CN(C(=O)c3cnc(C(F)(F)F)c(C#N)c3)C[C@@]2(C)C1 ZINC000913275199 685474878 /nfs/dbraw/zinc/47/48/78/685474878.db2.gz ACINXJYDESWGDP-HZPDHXFCSA-N 1 0 352.360 2.386 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[NH+](CC[C@@H]2CCCCO2)CC1 ZINC000951594507 681748863 /nfs/dbraw/zinc/74/88/63/681748863.db2.gz FQFZNKOSZUDIRL-FHWLQOOXSA-N 1 0 350.503 2.461 20 30 FEEDRO C=CCSCCNC(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849510941 681755610 /nfs/dbraw/zinc/75/56/10/681755610.db2.gz MUKKFHKFBOOYSV-SJORKVTESA-N 1 0 350.532 2.269 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(CC)C1C[NH+](CC2CCOCC2)C1 ZINC000952432979 681784297 /nfs/dbraw/zinc/78/42/97/681784297.db2.gz RZMVFXUEPIIBRI-OALUTQOASA-N 1 0 350.503 2.317 20 30 FEEDRO Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)NCC#CC[NH+](C)C ZINC000913515988 685479232 /nfs/dbraw/zinc/47/92/32/685479232.db2.gz VRZFSVIKAHKTDJ-UHFFFAOYSA-N 1 0 362.836 2.327 20 30 FEEDRO C[NH+](C)CC#CCNC(=O)CCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000913520812 685479264 /nfs/dbraw/zinc/47/92/64/685479264.db2.gz ZECYYCRHWUYODX-UHFFFAOYSA-N 1 0 351.491 2.095 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC000913805202 685485626 /nfs/dbraw/zinc/48/56/26/685485626.db2.gz JCZLMXLLUWAXDN-JYJNAYRXSA-N 1 0 351.491 2.399 20 30 FEEDRO C[C@H]1C[C@H](C)C[NH+](CCCNS(=O)(=O)Cc2csc(C#N)c2)C1 ZINC000913929359 685489168 /nfs/dbraw/zinc/48/91/68/685489168.db2.gz REGPOGHEKUFBDV-KBPBESRZSA-N 1 0 355.529 2.407 20 30 FEEDRO N#Cc1ccc(CN2CCC([NH2+]CC[S@](=O)CC(F)(F)F)CC2)cc1 ZINC000850350509 681889821 /nfs/dbraw/zinc/88/98/21/681889821.db2.gz SFGFNTNMMQAUFX-VWLOTQADSA-N 1 0 373.444 2.423 20 30 FEEDRO C=C(Cl)C[NH+]1CCC2(CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)C3)CC2)CC1 ZINC000957605420 681910030 /nfs/dbraw/zinc/91/00/30/681910030.db2.gz BBXMUTWJDJQUPR-CVEARBPZSA-N 1 0 367.921 2.345 20 30 FEEDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NS(=O)(=O)Cc1csc(C#N)c1 ZINC000914235557 685500142 /nfs/dbraw/zinc/50/01/42/685500142.db2.gz YKOUFLPGMWTJHV-MCIONIFRSA-N 1 0 355.529 2.406 20 30 FEEDRO C[N@@H+]1CC[C@H](NS(=O)(=O)Cc2csc(C#N)c2)[C@H]1c1ccccc1 ZINC000914301794 685503096 /nfs/dbraw/zinc/50/30/96/685503096.db2.gz JBUYLVNFUSECLY-DLBZAZTESA-N 1 0 361.492 2.485 20 30 FEEDRO C#CCC1(NC(=O)NC[C@]2(N3CCOCC3)CCSC2)CCCCC1 ZINC000914327621 685504115 /nfs/dbraw/zinc/50/41/15/685504115.db2.gz QTAURQPJHCLUOF-LJQANCHMSA-N 1 0 365.543 2.220 20 30 FEEDRO N#Cc1cc(CS(=O)(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)cs1 ZINC000914193615 685498230 /nfs/dbraw/zinc/49/82/30/685498230.db2.gz GWPDFUAJLLTYEC-CQSZACIVSA-N 1 0 353.513 2.257 20 30 FEEDRO CCOP(=O)(OCC)[C@H](O)C[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000851745199 682117607 /nfs/dbraw/zinc/11/76/07/682117607.db2.gz CBTHAOLCOCJBOO-KRWDZBQOSA-N 1 0 367.386 2.265 20 30 FEEDRO C=CCS(=O)(=O)CCNC(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000783160000 682118720 /nfs/dbraw/zinc/11/87/20/682118720.db2.gz NRSOEAFRJZNWJN-UHFFFAOYSA-N 1 0 371.547 2.075 20 30 FEEDRO Cc1cc(C#N)cc(C)c1CS(=O)(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000915892158 685519212 /nfs/dbraw/zinc/51/92/12/685519212.db2.gz CJDUOJSEWYTQRM-IBGZPJMESA-N 1 0 361.511 2.423 20 30 FEEDRO C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)c3ccc(C#N)c(C(F)(F)F)c3)C[C@@H]2C1 ZINC000916664308 685526753 /nfs/dbraw/zinc/52/67/53/685526753.db2.gz VKOGCEFZVONCQW-OLZOCXBDSA-N 1 0 373.400 2.149 20 30 FEEDRO C#C[C@@](C)(CC)[NH2+][C@@H](C)C(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1 ZINC000852100400 682219846 /nfs/dbraw/zinc/21/98/46/682219846.db2.gz HHZGEEFZFIZCEY-KSSFIOAISA-N 1 0 365.499 2.092 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNc1cccc(S(N)(=O)=O)c1C#N)C(C)C ZINC000784567029 682237822 /nfs/dbraw/zinc/23/78/22/682237822.db2.gz PTIBJEFZLTVMEB-KRWDZBQOSA-N 1 0 362.499 2.316 20 30 FEEDRO C#CCOCCNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000784601024 682240901 /nfs/dbraw/zinc/24/09/01/682240901.db2.gz JXKKXUXRHAKNSA-QGZVFWFLSA-N 1 0 354.372 2.207 20 30 FEEDRO C[NH+]1C[C@@]2(C)CN(S(=O)(=O)c3ccc(Cl)cc3C#N)C[C@]2(C)C1 ZINC000918351680 685538558 /nfs/dbraw/zinc/53/85/58/685538558.db2.gz MBVBGNFSQQQXHA-HOTGVXAUSA-N 1 0 353.875 2.174 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CCC2CCOCC2)C1 ZINC000970220742 682289287 /nfs/dbraw/zinc/28/92/87/682289287.db2.gz JWZPHDLLASRGCJ-QYZOEREBSA-N 1 0 350.503 2.365 20 30 FEEDRO N#Cc1cccc(C2([NH2+]CCCNC(=O)C(F)(F)F)CCOCC2)c1 ZINC000852562880 682300035 /nfs/dbraw/zinc/30/00/35/682300035.db2.gz LKZZVCFFWWPGNN-UHFFFAOYSA-N 1 0 355.360 2.222 20 30 FEEDRO O=C(C#CC1CC[NH2+]CC1)N1CCN(Cc2ccc(F)cc2Cl)CC1 ZINC000852859387 682350889 /nfs/dbraw/zinc/35/08/89/682350889.db2.gz SFJPMADBWMUERF-UHFFFAOYSA-N 1 0 363.864 2.126 20 30 FEEDRO CC(C)[C@H]([NH2+]C[C@@H](O)CN(C)CCC#N)[C@@H](O)c1ccc(Cl)cc1 ZINC000853126640 682379515 /nfs/dbraw/zinc/37/95/15/682379515.db2.gz PAHHEKMKXIONAR-SQNIBIBYSA-N 1 0 353.894 2.194 20 30 FEEDRO C[NH+](C)CCC[C@@H]1CN(c2cc(Br)cnc2C#N)CCO1 ZINC000853990555 682499886 /nfs/dbraw/zinc/49/98/86/682499886.db2.gz PUPHSDCTRDFXFU-CYBMUJFWSA-N 1 0 353.264 2.263 20 30 FEEDRO COC(=O)CC[NH+]1CCC(=NNC(=S)N[C@H]2CCCC[C@H]2C)CC1 ZINC000788701233 682551917 /nfs/dbraw/zinc/55/19/17/682551917.db2.gz YNZPCVDVNRLDHB-HIFRSBDPSA-N 1 0 354.520 2.044 20 30 FEEDRO CCN1C(=O)[C@@H](CC(=O)NCCC[NH+](C)C)SC1=Nc1ccsc1 ZINC000790723024 682697225 /nfs/dbraw/zinc/69/72/25/682697225.db2.gz AZJYYOWWQOZMBZ-CYBMUJFWSA-N 1 0 368.528 2.158 20 30 FEEDRO CC[C@@H]1CN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)C[C@H](C)[NH2+]1 ZINC000856407592 682776722 /nfs/dbraw/zinc/77/67/22/682776722.db2.gz UMTIFLMTBCZCOC-RRFJBIMHSA-N 1 0 352.479 2.172 20 30 FEEDRO C[NH+](C)[C@H]1CCc2ccccc2N(S(=O)(=O)c2ccc(C#N)nc2)C1 ZINC000857901550 682924063 /nfs/dbraw/zinc/92/40/63/682924063.db2.gz LJADWRSQMDMABC-INIZCTEOSA-N 1 0 356.451 2.025 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N[C@H](C)c2ccc(Br)cn2)CC1 ZINC000794165081 682942316 /nfs/dbraw/zinc/94/23/16/682942316.db2.gz OBUAHYGUUNAXJC-GFCCVEGCSA-N 1 0 350.260 2.367 20 30 FEEDRO Cn1c(CC#N)nn(CN2CC[C@H]([N@H+](C)Cc3ccccc3)C2)c1=S ZINC000794637010 682985766 /nfs/dbraw/zinc/98/57/66/682985766.db2.gz NOEQVBQJRAICLZ-INIZCTEOSA-N 1 0 356.499 2.181 20 30 FEEDRO CC(=NNC(=S)NC1CC[NH+](Cc2ccccc2)CC1)c1cn[nH]c1 ZINC000794846556 682999009 /nfs/dbraw/zinc/99/90/09/682999009.db2.gz HUHBSXXENYINNS-UHFFFAOYSA-N 1 0 356.499 2.262 20 30 FEEDRO C=CCCOCCCCC(=O)N[C@@H]1C[C@@]2(C[N@@H+](C)[C@H]2C(C)C)C[C@H]1O ZINC000926167589 683087047 /nfs/dbraw/zinc/08/70/47/683087047.db2.gz TXEPEFFSNSTEDU-JYBIWHBTSA-N 1 0 352.519 2.345 20 30 FEEDRO C#CCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCCCN2S(C)(=O)=O)cc1 ZINC000797121465 683224031 /nfs/dbraw/zinc/22/40/31/683224031.db2.gz ZNXVCMKBDRAFFG-RDJZCZTQSA-N 1 0 350.484 2.163 20 30 FEEDRO CCN1CC[NH+](C[C@H](C)CNc2cc(Br)cnc2C#N)CC1 ZINC000798216938 683322625 /nfs/dbraw/zinc/32/26/25/683322625.db2.gz LLAVBKKGPIRHGL-CYBMUJFWSA-N 1 0 366.307 2.401 20 30 FEEDRO N#CCCNC(=O)C[N@H+]1CCC[C@H]1Cc1ccc(Br)cc1 ZINC000920760962 683366432 /nfs/dbraw/zinc/36/64/32/683366432.db2.gz JBFJLEGLRCELIW-HNNXBMFYSA-N 1 0 350.260 2.486 20 30 FEEDRO C=CCN1CC[C@@H]([N@H+](C)C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1=O ZINC000798956583 683408418 /nfs/dbraw/zinc/40/84/18/683408418.db2.gz DTBBUXFWLBOCET-HZPDHXFCSA-N 1 0 351.491 2.352 20 30 FEEDRO C=CCN1CC[C@H]([NH2+][C@H](CNC(=O)OC(C)(C)C)C2CCCC2)C1=O ZINC000799168237 683431547 /nfs/dbraw/zinc/43/15/47/683431547.db2.gz HCIDEJJFUQKEIF-JKSUJKDBSA-N 1 0 351.491 2.446 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)N1CCC[C@H]1c1ncc(Br)cn1 ZINC000928355792 683439471 /nfs/dbraw/zinc/43/94/71/683439471.db2.gz FEKWUAZAZWPQHZ-ZDUSSCGKSA-N 1 0 353.264 2.411 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)c2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000928648162 683480958 /nfs/dbraw/zinc/48/09/58/683480958.db2.gz LASFURYOUBTQEG-UHFFFAOYSA-N 1 0 366.215 2.185 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)[C@H](c2c(F)cccc2Cl)N(C)C)CC1 ZINC000928655427 683481956 /nfs/dbraw/zinc/48/19/56/683481956.db2.gz REOKFEFDBXEPIA-KRWDZBQOSA-N 1 0 351.853 2.296 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)c2cnn(Cc3ccccc3)c2Cl)CC1 ZINC000928653708 683482131 /nfs/dbraw/zinc/48/21/31/683482131.db2.gz XTCCPCBMZKMAMT-UHFFFAOYSA-N 1 0 356.857 2.412 20 30 FEEDRO Cc1cc(C#N)ccc1S(=O)(=O)N[C@H](CC[NH+](C)C)c1cccnc1 ZINC000921481820 683482226 /nfs/dbraw/zinc/48/22/26/683482226.db2.gz UVIYOKMHESPOQO-QGZVFWFLSA-N 1 0 358.467 2.233 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)c2cc(N3CCCC3=O)ccc2Cl)CC1 ZINC000928655028 683482150 /nfs/dbraw/zinc/48/21/50/683482150.db2.gz QHJVYEUWZUNNLU-UHFFFAOYSA-N 1 0 359.857 2.294 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)c2ccc(OC)c(Br)c2)CC1 ZINC000928658152 683483070 /nfs/dbraw/zinc/48/30/70/683483070.db2.gz CDOZKCXXZPPBNF-UHFFFAOYSA-N 1 0 351.244 2.285 20 30 FEEDRO C#CCN(C(=O)N[C@@H](C)c1ccc([S@@](C)=O)cc1)C1CC[NH+](C)CC1 ZINC000921648723 683531690 /nfs/dbraw/zinc/53/16/90/683531690.db2.gz RHTAXKUIHHQVFT-ODCWNRFASA-N 1 0 361.511 2.224 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)N[C@@H]2CCN(c3ccc(Cl)cc3)C2)CC1 ZINC000921817304 683582756 /nfs/dbraw/zinc/58/27/56/683582756.db2.gz MKLDQVNXLLIDGJ-QGZVFWFLSA-N 1 0 360.889 2.316 20 30 FEEDRO CS(=O)(=O)CC1(C[NH2+]Cc2cc(C#N)ccc2Br)CC1 ZINC000921820078 683583018 /nfs/dbraw/zinc/58/30/18/683583018.db2.gz RMYZKBIOGYLNJE-UHFFFAOYSA-N 1 0 357.273 2.235 20 30 FEEDRO Cc1cc(C#N)cc(C)c1C[NH2+]C[C@H](O)CS(=O)(=O)c1cccs1 ZINC000921925824 683616442 /nfs/dbraw/zinc/61/64/42/683616442.db2.gz SZEBIAVZLPHHLH-HNNXBMFYSA-N 1 0 364.492 2.161 20 30 FEEDRO C[NH+]1CCC(OCC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC1 ZINC000929693267 683627552 /nfs/dbraw/zinc/62/75/52/683627552.db2.gz OYAAOWYAXUVAMI-UHFFFAOYSA-N 1 0 354.372 2.284 20 30 FEEDRO CN(C)C(=O)[C@H]1CC[C@@H](C[NH2+]Cc2cc(C#N)ccc2Br)O1 ZINC000921966109 683627652 /nfs/dbraw/zinc/62/76/52/683627652.db2.gz CJQDZZIGDVDFBA-DZGCQCFKSA-N 1 0 366.259 2.046 20 30 FEEDRO C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(Br)cc1 ZINC000922024095 683639306 /nfs/dbraw/zinc/63/93/06/683639306.db2.gz GPXHLBPGAJWYAH-UHFFFAOYSA-N 1 0 371.300 2.167 20 30 FEEDRO C#Cc1ccc(NC(=O)CC[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](CO)C2)cc1 ZINC000930454476 683736093 /nfs/dbraw/zinc/73/60/93/683736093.db2.gz XPCHMGVUQJNTGM-ZBFHGGJFSA-N 1 0 354.372 2.489 20 30 FEEDRO C#Cc1ccc(NC(=O)CC[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)cc1 ZINC000930454468 683736514 /nfs/dbraw/zinc/73/65/14/683736514.db2.gz XPCHMGVUQJNTGM-GDBMZVCRSA-N 1 0 354.372 2.489 20 30 FEEDRO C[C@H](C[C@@H](O)c1ccc(F)cc1)[NH2+]C[C@@H](O)CC1(C#N)CCOCC1 ZINC000863563238 683742874 /nfs/dbraw/zinc/74/28/74/683742874.db2.gz PEKFARMQPWQYLS-FHLIZLRMSA-N 1 0 350.434 2.299 20 30 FEEDRO C#CC[C@@H](CCOC)[NH2+]C[C@H](O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000863588753 683746962 /nfs/dbraw/zinc/74/69/62/683746962.db2.gz FPFQDAQVJXDAOJ-IRXDYDNUSA-N 1 0 354.491 2.012 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)NCCc2cc(C(F)(F)F)ccn2)CC1 ZINC000922617588 683755391 /nfs/dbraw/zinc/75/53/91/683755391.db2.gz QWYMSWZCQMVYCL-UHFFFAOYSA-N 1 0 354.376 2.040 20 30 FEEDRO C=C(C)[C@@H](CO)[NH+]1CCC(N(C(=O)C(F)(F)F)c2cccnc2)CC1 ZINC000931002356 683816516 /nfs/dbraw/zinc/81/65/16/683816516.db2.gz DHESWLKOROVUAD-OAHLLOKOSA-N 1 0 357.376 2.378 20 30 FEEDRO C=C(Cl)C[C@H]1NC(=O)N(CC2CC[NH+](Cc3ccncc3)CC2)C1=O ZINC000865312069 683966867 /nfs/dbraw/zinc/96/68/67/683966867.db2.gz NVLVAWXGXKUSOL-MRXNPFEDSA-N 1 0 362.861 2.357 20 30 FEEDRO CCC1([NH+]2CCCC2)CCN(c2ccc(S(N)(=O)=O)cc2C#N)CC1 ZINC000866024585 684061801 /nfs/dbraw/zinc/06/18/01/684061801.db2.gz VTWLPPAXNZTOCE-UHFFFAOYSA-N 1 0 362.499 2.050 20 30 FEEDRO C[C@@H](NS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1)C1CC[NH2+]CC1 ZINC000866812055 684158328 /nfs/dbraw/zinc/15/83/28/684158328.db2.gz YBZKVPOGOCAGAM-SNVBAGLBSA-N 1 0 361.389 2.243 20 30 FEEDRO C=CCCC[C@@H]1NC(=O)N([C@H]2CC[N@@H+](CCCOCC)C[C@H]2C)C1=O ZINC000924630979 684476018 /nfs/dbraw/zinc/47/60/18/684476018.db2.gz CKWYCEVTEOGDMW-IKGGRYGDSA-N 1 0 351.491 2.400 20 30 FEEDRO C=CCN(CC=C)[C@H](C[NH2+][C@@H](C)C1CCN(S(C)(=O)=O)CC1)C(C)C ZINC000924642678 684476675 /nfs/dbraw/zinc/47/66/75/684476675.db2.gz JAHVPELDMOYVJV-PKOBYXMFSA-N 1 0 371.591 2.335 20 30 FEEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]CC[C@H]2CNCCS2(=O)=O)cc1 ZINC000925798334 684587532 /nfs/dbraw/zinc/58/75/32/684587532.db2.gz PWBCLAPFBLLYEY-YOEHRIQHSA-N 1 0 372.918 2.245 20 30 FEEDRO C=CCn1c(Cc2nc(C)cs2)nnc1N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000871050139 684782387 /nfs/dbraw/zinc/78/23/87/684782387.db2.gz GSAAVZMQPARRHD-LSDHHAIUSA-N 1 0 358.515 2.350 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CN1C(=O)N[C@@H](Cc2cncs2)C1=O)C(C)C ZINC000871893794 684874954 /nfs/dbraw/zinc/87/49/54/684874954.db2.gz FNZTWVREXIXFDB-HOTGVXAUSA-N 1 0 362.499 2.305 20 30 FEEDRO C#CCC[NH+]1CCC(NS(=O)(=O)c2ccc3onc(Cl)c3c2)CC1 ZINC000872006655 684912731 /nfs/dbraw/zinc/91/27/31/684912731.db2.gz ONLYAFSCIQMLGM-UHFFFAOYSA-N 1 0 367.858 2.247 20 30 FEEDRO N#CC1(C[C@@H](O)C[NH2+][C@@H]2COc3cccc(Br)c3C2)CC1 ZINC000872235267 684930150 /nfs/dbraw/zinc/93/01/50/684930150.db2.gz QHSVKYFZQJDEGD-NWDGAFQWSA-N 1 0 351.244 2.397 20 30 FEEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N[C@@H]1C[NH2+]CC1(C)C ZINC000911527511 685221854 /nfs/dbraw/zinc/22/18/54/685221854.db2.gz GPDBNLVOGQIAHW-GFCCVEGCSA-N 1 0 355.891 2.030 20 30 FEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H](O)COc1cccc(C(F)(F)F)c1 ZINC000876619679 686229809 /nfs/dbraw/zinc/22/98/09/686229809.db2.gz BNCGGJQYWRZKLH-DGCLKSJQSA-N 1 0 366.767 2.031 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N1CCN(C(=O)c2ccc(F)cc2Cl)CC1 ZINC000876628075 686232028 /nfs/dbraw/zinc/23/20/28/686232028.db2.gz XCOVLPUNOZPLMO-AWEZNQCLSA-N 1 0 374.243 2.233 20 30 FEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1cccc(C(=O)N2CCSCC2)c1 ZINC000876630351 686232896 /nfs/dbraw/zinc/23/28/96/686232896.db2.gz XPKRNOVASXKGBT-CQSZACIVSA-N 1 0 353.875 2.284 20 30 FEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N(C)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000876657890 686238386 /nfs/dbraw/zinc/23/83/86/686238386.db2.gz VRQVUXAIGBOZKX-TZMCWYRMSA-N 1 0 356.253 2.374 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H](C)c1ccc2c(c1)O[C@@H](CC)C(=O)N2 ZINC000876686094 686243504 /nfs/dbraw/zinc/24/35/04/686243504.db2.gz PCETZIQWPCLGMM-JKOKRWQUSA-N 1 0 351.834 2.443 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H](CCSC)c1nnc2ccccn21 ZINC000876713478 686250987 /nfs/dbraw/zinc/25/09/87/686250987.db2.gz JTIIKYUPZXLXPU-NWDGAFQWSA-N 1 0 353.879 2.110 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N1CCN(Cc2ccc(OCC)cc2)CC1 ZINC000876714849 686251477 /nfs/dbraw/zinc/25/14/77/686251477.db2.gz CWOOKIUXWQEWMW-KRWDZBQOSA-N 1 0 351.878 2.199 20 30 FEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCCN(c2cc(OC)cc(OC)c2)CC1 ZINC000876778232 686267314 /nfs/dbraw/zinc/26/73/14/686267314.db2.gz ZMPFHHFBDZDAOO-QGZVFWFLSA-N 1 0 367.877 2.212 20 30 FEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC(c2nc(C(=O)OCC)cs2)CC1 ZINC000876910377 686293749 /nfs/dbraw/zinc/29/37/49/686293749.db2.gz YNMNBTYJIKMYQF-GFCCVEGCSA-N 1 0 371.890 2.496 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC(Cc2nc([C@H]3C[C@@H]3C)no2)CC1 ZINC000876945827 686299185 /nfs/dbraw/zinc/29/91/85/686299185.db2.gz JXWBYJMNXQXSGT-BPNCWPANSA-N 1 0 352.866 2.444 20 30 FEEDRO C=C(Cl)C[C@H](NC(=O)c1csc(C2CC[NH2+]CC2)n1)C(=O)OCC ZINC000877144717 686332305 /nfs/dbraw/zinc/33/23/05/686332305.db2.gz TWCGTMKQDXTSCZ-LBPRGKRZSA-N 1 0 371.890 2.414 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000877293416 686349328 /nfs/dbraw/zinc/34/93/28/686349328.db2.gz MAFCDJQRSVRHFL-INIZCTEOSA-N 1 0 370.902 2.230 20 30 FEEDRO COCC[NH+](CCOC)C1CCN(Cc2cc(C#N)cnc2Cl)CC1 ZINC000877520264 686400126 /nfs/dbraw/zinc/40/01/26/686400126.db2.gz RAPVTMNQRPSNRB-UHFFFAOYSA-N 1 0 366.893 2.166 20 30 FEEDRO N#Cc1cnc(Cl)c(C[NH2+][C@@H]2CCCC[C@H]2NS(=O)(=O)C2CC2)c1 ZINC000877701172 686440639 /nfs/dbraw/zinc/44/06/39/686440639.db2.gz MMNUJAXUNRLZBJ-HUUCEWRRSA-N 1 0 368.890 2.089 20 30 FEEDRO C[C@@H]1C[N@H+](C[C@H](O)COc2ccc(C#N)cc2)CC[C@@H](C(F)(F)F)O1 ZINC000880050400 686986148 /nfs/dbraw/zinc/98/61/48/686986148.db2.gz BYTCEURTIANHDH-INWMFGNUSA-N 1 0 358.360 2.340 20 30 FEEDRO N#Cc1cnc(N2CCC[C@@H]([NH2+]C3CCOCC3)C2)c(Br)c1 ZINC000882727973 687458369 /nfs/dbraw/zinc/45/83/69/687458369.db2.gz KXUSWAWOPFLFJC-CQSZACIVSA-N 1 0 365.275 2.453 20 30 FEEDRO C=CCC[C@H]([NH2+]Cc1ccc(S(=O)(=O)CCO)cc1)[C@@H]1CCCO1 ZINC000883219019 687589849 /nfs/dbraw/zinc/58/98/49/687589849.db2.gz LDPTXVQUYBBNJX-ROUUACIJSA-N 1 0 353.484 2.056 20 30 FEEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]CC2(S(=O)(=O)NC(C)(C)C)CC2)cc1 ZINC000883291716 687600738 /nfs/dbraw/zinc/60/07/38/687600738.db2.gz PORIDBQTUVIHHN-AWEZNQCLSA-N 1 0 365.499 2.318 20 30 FEEDRO C=CCCC[C@H](C)NC(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC000883554819 687666328 /nfs/dbraw/zinc/66/63/28/687666328.db2.gz GLHKQYNDNUWUSG-INIZCTEOSA-N 1 0 350.507 2.247 20 30 FEEDRO C[C@H](Cc1nc2ccccc2s1)NC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884108816 687790902 /nfs/dbraw/zinc/79/09/02/687790902.db2.gz MTIFVUQOPQNEHT-QWHDWNGZSA-N 1 0 354.479 2.483 20 30 FEEDRO N#C[C@H]1C[NH2+]CC12CC(C(=O)N1CCN(c3ccc(Cl)cc3)CC1)C2 ZINC000884185193 687810809 /nfs/dbraw/zinc/81/08/09/687810809.db2.gz NEHDMDWTZIZMQF-HVEKOLDVSA-N 1 0 358.873 2.128 20 30 FEEDRO C=CCCC(C)(C)CNC(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000884855679 687949176 /nfs/dbraw/zinc/94/91/76/687949176.db2.gz NHEYSDUTEKUGDR-STQMWFEESA-N 1 0 363.424 2.081 20 30 FEEDRO C#CCN(C(=O)[C@@H](C)N(CC)C(=O)OC(C)(C)C)C1CC[NH+](C)CC1 ZINC000886573236 688278409 /nfs/dbraw/zinc/27/84/09/688278409.db2.gz BCLCSHIMMNCTML-OAHLLOKOSA-N 1 0 351.491 2.188 20 30 FEEDRO C#CCN(C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)C1CC[NH+](C)CC1 ZINC000886578988 688279302 /nfs/dbraw/zinc/27/93/02/688279302.db2.gz STVQEMGLUJVOAH-UHFFFAOYSA-N 1 0 351.353 2.243 20 30 FEEDRO C[C@H]1C[NH+](CCCNC(=O)Nc2nc(Cl)c(C#N)s2)C[C@H](C)O1 ZINC000888406767 688605477 /nfs/dbraw/zinc/60/54/77/688605477.db2.gz HYXPCZKKEVCIOU-UWVGGRQHSA-N 1 0 357.867 2.289 20 30 FEEDRO C[NH+]1CCN(c2ccc(CNc3cc(C#N)sc3[N+](=O)[O-])cn2)CC1 ZINC000891666918 689089775 /nfs/dbraw/zinc/08/97/75/689089775.db2.gz BWOYHUQKWVJOQE-UHFFFAOYSA-N 1 0 358.427 2.287 20 30 FEEDRO N#Cc1ccc(CN2CC[C@@H]([NH2+]Cc3cn4ccnc4s3)C2=O)cc1 ZINC000894006755 689448191 /nfs/dbraw/zinc/44/81/91/689448191.db2.gz XMBSXHVHNAXMOW-MRXNPFEDSA-N 1 0 351.435 2.158 20 30 FEEDRO O=C1[C@H]([NH2+]C2CCN(Cc3c(F)cccc3Cl)CC2)CCCN1O ZINC000895161310 689669270 /nfs/dbraw/zinc/66/92/70/689669270.db2.gz FQLSKFHYPFDMJN-MRXNPFEDSA-N 1 0 355.841 2.413 20 30 FEEDRO C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+][C@@H]1CCCN(O)C1=O ZINC000895163665 689669646 /nfs/dbraw/zinc/66/96/46/689669646.db2.gz XIYKDSUFAIQBBK-SWLSCSKDSA-N 1 0 353.850 2.047 20 30 FEEDRO C#CC1(O)CC[NH+](Cc2cc(OC)c(OCC(F)F)c(OC)c2)CC1 ZINC000895384958 689707391 /nfs/dbraw/zinc/70/73/91/689707391.db2.gz WMFNFVXPSIJAKW-UHFFFAOYSA-N 1 0 355.381 2.308 20 30 FEEDRO N#CC1(CC(=O)Nc2ccc(NC3=[NH+]CCN3)c(Cl)c2)CCOCC1 ZINC000899045044 690291713 /nfs/dbraw/zinc/29/17/13/690291713.db2.gz BEOXTAFAJWIZKF-UHFFFAOYSA-N 1 0 361.833 2.360 20 30 FEEDRO CN(CCC#N)C[C@@H](O)C[NH+]1CC(Cc2ccc(Br)cc2)C1 ZINC000899899239 690436569 /nfs/dbraw/zinc/43/65/69/690436569.db2.gz WEVJOUXPASWTSN-QGZVFWFLSA-N 1 0 366.303 2.130 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)NC[C@@H](c1ccccc1Cl)N1CCOCC1 ZINC000900156545 690476621 /nfs/dbraw/zinc/47/66/21/690476621.db2.gz CPOFZMRDUJVXAF-SFHVURJKSA-N 1 0 365.905 2.337 20 30 FEEDRO C=C(Cl)C[C@H]1NC(=O)N(C[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)C1=O ZINC000900184382 690481079 /nfs/dbraw/zinc/48/10/79/690481079.db2.gz BIMSEXDAZSLIST-CVEARBPZSA-N 1 0 364.877 2.418 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)N1CCN(C(=O)c2ccc(F)cc2Cl)CC1 ZINC000900448042 690517597 /nfs/dbraw/zinc/51/75/97/690517597.db2.gz GPAROYXDTRIVAQ-UHFFFAOYSA-N 1 0 367.852 2.271 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)[C@H](O)c2cccc(Br)c2)CC1 ZINC000900798430 690563201 /nfs/dbraw/zinc/56/32/01/690563201.db2.gz MZXKPGLYECXAJF-MRXNPFEDSA-N 1 0 365.271 2.086 20 30 FEEDRO C[C@H]([NH2+]C[C@@H]1CCCC[C@@H]1NS(C)(=O)=O)c1ccc(OCC#N)cc1 ZINC000903233609 690872949 /nfs/dbraw/zinc/87/29/49/690872949.db2.gz JDDFADVQFHRKIZ-ZVZYQTTQSA-N 1 0 365.499 2.348 20 30 FEEDRO C=CCC[C@H]([NH2+]C[C@@]1(OC)CCS(=O)(=O)C1)[C@H]1Cc2ccccc2O1 ZINC000903364485 690886328 /nfs/dbraw/zinc/88/63/28/690886328.db2.gz XLAZMXVXBTUYNP-UHOSZYNNSA-N 1 0 365.495 2.118 20 30 FEEDRO CO[C@@H](C)c1nc(Cc2noc(C3CC4(C3)C[NH2+]C[C@H]4C#N)n2)cs1 ZINC000904098570 691002557 /nfs/dbraw/zinc/00/25/57/691002557.db2.gz BWRWSQFLOROYAD-ZQGKVTOOSA-N 1 0 359.455 2.431 20 30 FEEDRO N#Cc1ccc(-n2ccc(NC(=O)N[C@@H]3C[C@H]4CC[C@@H]3[NH2+]4)n2)c(Cl)c1 ZINC000904416572 691026350 /nfs/dbraw/zinc/02/63/50/691026350.db2.gz OUNCAIPFWPTCPB-KWCYVHTRSA-N 1 0 356.817 2.412 20 30 FEEDRO N#Cc1ccc(-c2cccc(C[NH2+]C[C@@H](O)C[C@]3(O)CCOC3)c2)s1 ZINC000905134732 691072355 /nfs/dbraw/zinc/07/23/55/691072355.db2.gz OHBKJGXETSZMTE-QFBILLFUSA-N 1 0 358.463 2.279 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cccn(CC(F)(F)F)c2=O)CC1 ZINC000906596044 691289453 /nfs/dbraw/zinc/28/94/53/691289453.db2.gz AQGOWWGHCFPVQU-UHFFFAOYSA-N 1 0 357.376 2.181 20 30 FEEDRO C[NH+](C)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)c(C#N)c2)C1 ZINC000906932338 691347656 /nfs/dbraw/zinc/34/76/56/691347656.db2.gz XCAYZWCMFUABKW-GFCCVEGCSA-N 1 0 372.288 2.035 20 30 FEEDRO C[NH+](C)C1CCC2(CC1)CCN(S(=O)(=O)c1ccc(C#N)cn1)CC2 ZINC000907290919 691443392 /nfs/dbraw/zinc/44/33/92/691443392.db2.gz MNZVJGREFIACON-UHFFFAOYSA-N 1 0 362.499 2.228 20 30 FEEDRO C[C@H]1C[N@H+](CCCNC(=O)C(F)(F)c2ccccc2C#N)CCCO1 ZINC000907757845 691554346 /nfs/dbraw/zinc/55/43/46/691554346.db2.gz XWZRKJJMCULAGG-AWEZNQCLSA-N 1 0 351.397 2.267 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)N[C@@H]1CC12CCN(C(=O)OC(C)(C)C)CC2 ZINC000908350234 691664458 /nfs/dbraw/zinc/66/44/58/691664458.db2.gz YVNXMBQVGLHRAC-OAHLLOKOSA-N 1 0 351.491 2.400 20 30 FEEDRO C=CCSc1ccccc1C(=O)NCC(=O)NCC[NH+]1CCCCC1 ZINC000909318483 691806455 /nfs/dbraw/zinc/80/64/55/691806455.db2.gz XJPQLWAULWTHQF-UHFFFAOYSA-N 1 0 361.511 2.297 20 30 FEEDRO N#Cc1c(Cl)nc(C(F)(F)N2CC[C@@H]3C[C@]3([NH3+])C2)nc1C(F)(F)F ZINC001164421707 718896943 /nfs/dbraw/zinc/89/69/43/718896943.db2.gz RUPZZUSOKJKPOJ-KBUNVGBDSA-N 1 0 367.709 2.493 20 30 FEEDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc(OC)c(C#N)cn1)C2 ZINC001164808537 720070271 /nfs/dbraw/zinc/07/02/71/720070271.db2.gz HYSYXBTXLBMQCX-PXNSSMCTSA-N 1 0 356.470 2.147 20 30 FEEDRO N#Cc1cc([N+](=O)[O-])cnc1N1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164726920 720370423 /nfs/dbraw/zinc/37/04/23/720370423.db2.gz PVTQOICXPLIRCG-SJORKVTESA-N 1 0 350.382 2.110 20 30 FEEDRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4cc(Cl)ncc4C#N)C[C@@H]3C2)cn1 ZINC001164771595 721082599 /nfs/dbraw/zinc/08/25/99/721082599.db2.gz SDUVWHIHUVYMOZ-HOCLYGCPSA-N 1 0 356.861 2.298 20 30 FEEDRO N#Cc1nc(Cl)cnc1N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164897216 721519497 /nfs/dbraw/zinc/51/94/97/721519497.db2.gz FIXFYLQWBOOFMY-ZFWWWQNUSA-N 1 0 373.819 2.483 20 30 FEEDRO N#Cc1nccnc1N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164907943 721584814 /nfs/dbraw/zinc/58/48/14/721584814.db2.gz WZUMJFXVCSCCBU-GOSISDBHSA-N 1 0 370.407 2.481 20 30 FEEDRO CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000503068775 814372203 /nfs/dbraw/zinc/37/22/03/814372203.db2.gz LSQDWNIBSUMQMP-SFHVURJKSA-N 1 0 355.398 2.467 20 30 FEEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)CNc1ccc(C#N)cn1 ZINC000497736588 887174573 /nfs/dbraw/zinc/17/45/73/887174573.db2.gz CPQQZKCRQJUGJW-QGZVFWFLSA-N 1 0 363.465 2.488 20 30 FEEDRO C[NH+]1CCN(c2ccc(CNc3ccc(C#N)cc3[N+](=O)[O-])cn2)CC1 ZINC000023617871 539716699 /nfs/dbraw/zinc/71/66/99/539716699.db2.gz HOAAUFRIUKEUMM-UHFFFAOYSA-N 1 0 352.398 2.225 20 30 FEEDRO C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)CCOc1ccc(C#N)cc1 ZINC000028727415 539835816 /nfs/dbraw/zinc/83/58/16/539835816.db2.gz OYLHQGDDPPTOQB-CQSZACIVSA-N 1 0 359.451 2.277 20 30 FEEDRO C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)CCOc1ccc(C#N)cc1 ZINC000028727417 539835827 /nfs/dbraw/zinc/83/58/27/539835827.db2.gz OYLHQGDDPPTOQB-AWEZNQCLSA-N 1 0 359.451 2.277 20 30 FEEDRO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+](C)CC3CCCCC3)CC2)o1 ZINC000029714605 539862484 /nfs/dbraw/zinc/86/24/84/539862484.db2.gz VYYOTBYJVYQLOR-UHFFFAOYSA-N 1 0 359.474 2.015 20 30 FEEDRO C[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000029785957 539864299 /nfs/dbraw/zinc/86/42/99/539864299.db2.gz LTPMNCAMZJGLRR-OAHLLOKOSA-N 1 0 365.437 2.111 20 30 FEEDRO N#Cc1ccc(NC(=O)NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000031663585 539915420 /nfs/dbraw/zinc/91/54/20/539915420.db2.gz HAVSXXIOZFZTSB-LJQANCHMSA-N 1 0 350.422 2.099 20 30 FEEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)NC3CCC(O)CC3)CC2)cc1 ZINC000042962322 540084227 /nfs/dbraw/zinc/08/42/27/540084227.db2.gz BJXLOYNTCCEGHJ-UHFFFAOYSA-N 1 0 356.470 2.079 20 30 FEEDRO C=CCN1C(=O)c2ccc(C(=O)NCC[N@H+]3CCCC[C@H]3C)cc2C1=O ZINC000044532638 540130013 /nfs/dbraw/zinc/13/00/13/540130013.db2.gz XCGBNAORUIBNGX-CQSZACIVSA-N 1 0 355.438 2.073 20 30 FEEDRO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1scc(C(C)(C)C)c1C#N ZINC000550420590 674094383 /nfs/dbraw/zinc/09/43/83/674094383.db2.gz XDALMKVULRXROX-LBPRGKRZSA-N 1 0 362.499 2.456 20 30 FEEDRO N#Cc1cccc(NC(=O)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000048622679 540368036 /nfs/dbraw/zinc/36/80/36/540368036.db2.gz JIEOGTQQRKFALB-UHFFFAOYSA-N 1 0 362.433 2.278 20 30 FEEDRO C[NH+](C)C1(CNC(=O)C(=O)Nc2cccc(OCC#N)c2)CCCCCC1 ZINC000049012110 540379660 /nfs/dbraw/zinc/37/96/60/540379660.db2.gz SZYKOCBDTQBGRM-UHFFFAOYSA-N 1 0 372.469 2.298 20 30 FEEDRO COc1ccc(C#N)cc1NC(=O)C(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000050165988 540401726 /nfs/dbraw/zinc/40/17/26/540401726.db2.gz URISWRUTFALONS-OAHLLOKOSA-N 1 0 372.469 2.276 20 30 FEEDRO CN1CCC([NH+]2CCC(NC(=O)CCc3ccc(C#N)cc3)CC2)CC1 ZINC000050800099 540414406 /nfs/dbraw/zinc/41/44/06/540414406.db2.gz QGVJEIKNYLXPKE-UHFFFAOYSA-N 1 0 354.498 2.166 20 30 FEEDRO C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)CCOc1cccc(C#N)c1 ZINC000051563339 540437594 /nfs/dbraw/zinc/43/75/94/540437594.db2.gz HJTIVQOCXNUDKC-CQSZACIVSA-N 1 0 359.451 2.277 20 30 FEEDRO CCN(C[C@@H](C)C#N)C(=O)CN1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000052409177 540464903 /nfs/dbraw/zinc/46/49/03/540464903.db2.gz YVZQBOGLFJOXHX-SFHVURJKSA-N 1 0 367.497 2.074 20 30 FEEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCC(=O)NCC(C)C ZINC000052485638 540467418 /nfs/dbraw/zinc/46/74/18/540467418.db2.gz KFDFQYOZFLAAPF-UHFFFAOYSA-N 1 0 365.547 2.357 20 30 FEEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1S[C@H](C)C(=O)N(C)C ZINC000052485706 540467984 /nfs/dbraw/zinc/46/79/84/540467984.db2.gz XHRIBUHBQVJJPV-CQSZACIVSA-N 1 0 351.520 2.061 20 30 FEEDRO Cc1noc([C@H]2CCC[N@H+](C[C@H](O)COc3ccc(CC#N)cc3)C2)n1 ZINC000054341557 540584337 /nfs/dbraw/zinc/58/43/37/540584337.db2.gz KYXJCJJRLSZXOG-IRXDYDNUSA-N 1 0 356.426 2.063 20 30 FEEDRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)C(=O)Nc2cccc(C#N)c2)C1 ZINC000054946181 540618149 /nfs/dbraw/zinc/61/81/49/540618149.db2.gz VJWZYPIFDOQONT-GASCZTMLSA-N 1 0 356.470 2.369 20 30 FEEDRO COCC[N@H+](C)CCCNC(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000055341605 540647842 /nfs/dbraw/zinc/64/78/42/540647842.db2.gz JFFFSKFTGBCWHV-UHFFFAOYSA-N 1 0 371.437 2.428 20 30 FEEDRO C=CCN(CC(=O)NC1CC[NH+](C2CC2)CC1)Cc1cccc(C#N)c1 ZINC000058396624 540842010 /nfs/dbraw/zinc/84/20/10/540842010.db2.gz NMRPZHIQMDCOAN-UHFFFAOYSA-N 1 0 352.482 2.289 20 30 FEEDRO C=CCOc1c(Br)cc(C[NH2+]CC(=O)NCC)cc1OC ZINC000060833191 541121908 /nfs/dbraw/zinc/12/19/08/541121908.db2.gz QPQKJZNUXBFLPY-UHFFFAOYSA-N 1 0 357.248 2.248 20 30 FEEDRO C[C@H](CNC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000062121100 541145296 /nfs/dbraw/zinc/14/52/96/541145296.db2.gz OCMWGFHIVTVYNC-CHWSQXEVSA-N 1 0 362.861 2.387 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)CSc1ccc2c(c1)OCCO2 ZINC000064362114 541202991 /nfs/dbraw/zinc/20/29/91/541202991.db2.gz JHNCKPVFBOHMDP-UHFFFAOYSA-N 1 0 363.483 2.244 20 30 FEEDRO C[N@H+](CCNC(=O)c1ccc(-n2ncc(C#N)c2N)cc1)Cc1ccccc1 ZINC000066241213 541294287 /nfs/dbraw/zinc/29/42/87/541294287.db2.gz VVEIOZSPSDEUAJ-UHFFFAOYSA-N 1 0 374.448 2.188 20 30 FEEDRO C=CCOc1ccc(C(=O)NCc2cccnc2N2CC[NH+](C)CC2)cc1 ZINC000066343796 541305696 /nfs/dbraw/zinc/30/56/96/541305696.db2.gz WAFIGJGMVISKRI-UHFFFAOYSA-N 1 0 366.465 2.328 20 30 FEEDRO CC[NH+]1CCC(NC(=O)CCC(=O)N(CCC#N)c2ccccc2)CC1 ZINC000066619930 541348177 /nfs/dbraw/zinc/34/81/77/541348177.db2.gz FPFJKWPRCPFPHQ-UHFFFAOYSA-N 1 0 356.470 2.314 20 30 FEEDRO CCN([C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)S(=O)(=O)N(C)CCC#N ZINC000066912688 541392127 /nfs/dbraw/zinc/39/21/27/541392127.db2.gz DWCYZPOLLTUUDI-FUHWJXTLSA-N 1 0 364.515 2.234 20 30 FEEDRO CCOc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H](C(C)C)[NH+]1CCCC1 ZINC000067375413 541451644 /nfs/dbraw/zinc/45/16/44/541451644.db2.gz GKQOGAQBRBVWNB-QGZVFWFLSA-N 1 0 372.469 2.132 20 30 FEEDRO CCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000067397563 541456530 /nfs/dbraw/zinc/45/65/30/541456530.db2.gz JNWYZWGJWRBQAQ-GJZGRUSLSA-N 1 0 372.469 2.132 20 30 FEEDRO N#Cc1ccc(N2CCC(C(=O)NCCC[NH+]3CCCCC3)CC2)nc1 ZINC000067509876 541473188 /nfs/dbraw/zinc/47/31/88/541473188.db2.gz UTTCLTPLJTUSBK-UHFFFAOYSA-N 1 0 355.486 2.162 20 30 FEEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(-n2cncn2)cc1 ZINC000068310557 541575408 /nfs/dbraw/zinc/57/54/08/541575408.db2.gz XYPTYFBLPAVONS-UHFFFAOYSA-N 1 0 374.448 2.343 20 30 FEEDRO C[NH+]1CCC(CNC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)CC1 ZINC000069441106 541687195 /nfs/dbraw/zinc/68/71/95/541687195.db2.gz NRSUSDCLUQNGRI-QGZVFWFLSA-N 1 0 373.476 2.307 20 30 FEEDRO CC(=O)N1CCc2ccccc2[C@H]1CC(=O)N(CCC#N)CCC[NH+](C)C ZINC000069576504 541698061 /nfs/dbraw/zinc/69/80/61/541698061.db2.gz XBSCLTKQSYIMKE-HXUWFJFHSA-N 1 0 370.497 2.216 20 30 FEEDRO CCC[N@@H+]1CC[C@H](CNC(=O)N(CCOC)Cc2ccc(C#N)cc2)C1 ZINC000069591908 541699674 /nfs/dbraw/zinc/69/96/74/541699674.db2.gz IIUFKWRQSYQIDQ-LJQANCHMSA-N 1 0 358.486 2.448 20 30 FEEDRO N#Cc1ccc(CSCC(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000069743800 541709319 /nfs/dbraw/zinc/70/93/19/541709319.db2.gz VQLRZAPTWHIABS-IBGZPJMESA-N 1 0 373.522 2.362 20 30 FEEDRO Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+](C)C3CCC(C)CC3)CC2)o1 ZINC000071939171 541776470 /nfs/dbraw/zinc/77/64/70/541776470.db2.gz MGONZCJDLAPRJZ-UHFFFAOYSA-N 1 0 359.474 2.014 20 30 FEEDRO O=C(CO/[NH+]=C/c1ccc(N2CCOCC2)cc1)N1CCc2ccccc21 ZINC000072809758 541870971 /nfs/dbraw/zinc/87/09/71/541870971.db2.gz SWWHEMPPXZEZPQ-PXLXIMEGSA-N 1 0 365.433 2.463 20 30 FEEDRO CC(C)n1ccc(CO[NH+]=C(N)c2ccc(N3CCC(O)CC3)cc2)n1 ZINC000072921378 541894136 /nfs/dbraw/zinc/89/41/36/541894136.db2.gz SDCPNOXMNFRIEJ-UHFFFAOYSA-N 1 0 357.458 2.262 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1CCSCC[C@@H]1C)C(C)C ZINC000551221447 674132313 /nfs/dbraw/zinc/13/23/13/674132313.db2.gz IUJDSAPFHGMYOL-DLBZAZTESA-N 1 0 367.559 2.155 20 30 FEEDRO N#Cc1ccc(F)c(CNC(=O)N2CCC(CC[NH+]3CCOCC3)CC2)c1 ZINC000074809296 542123658 /nfs/dbraw/zinc/12/36/58/542123658.db2.gz TYBFDDFGEAZCBA-UHFFFAOYSA-N 1 0 374.460 2.341 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc3c(c2)C(=O)CCC3)CC1 ZINC000078251754 542449905 /nfs/dbraw/zinc/44/99/05/542449905.db2.gz BFCAMSUIXQVBPL-UHFFFAOYSA-N 1 0 369.465 2.301 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH+]1CCC(C(=O)N(C)C)CC1 ZINC000078722541 542477571 /nfs/dbraw/zinc/47/75/71/542477571.db2.gz WKLIALWIUNRTRT-OAHLLOKOSA-N 1 0 363.527 2.451 20 30 FEEDRO C=C(C)CN(CC)C(=O)C[N@@H+]1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 ZINC000080927333 542616111 /nfs/dbraw/zinc/61/61/11/542616111.db2.gz LSIKTXQFMPTOEM-KRWDZBQOSA-N 1 0 358.486 2.465 20 30 FEEDRO C=CCc1cc(C(=O)N2CC[NH+](C3CCOCC3)CC2)cc(OC)c1OC ZINC000081032808 542626384 /nfs/dbraw/zinc/62/63/84/542626384.db2.gz HOLUZCGDBPEHCS-UHFFFAOYSA-N 1 0 374.481 2.369 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC(OC[C@H]3CCCO3)CC2)CC1 ZINC000083651108 542699263 /nfs/dbraw/zinc/69/92/63/542699263.db2.gz MSJDZVYPJPKWJT-LJQANCHMSA-N 1 0 365.518 2.397 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)NCc2ccc(C)cc2OCCCOC)CC1 ZINC000087460250 542745707 /nfs/dbraw/zinc/74/57/07/542745707.db2.gz NNPVKXPBRSLZOG-UHFFFAOYSA-N 1 0 358.482 2.372 20 30 FEEDRO C[NH+]=C(NCc1cnc(N(C)C)n1C)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000087497152 542746582 /nfs/dbraw/zinc/74/65/82/542746582.db2.gz LGCJMJPQBDDLNO-NWDGAFQWSA-N 1 0 360.428 2.272 20 30 FEEDRO Cn1ncnc1NC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000091186116 542796944 /nfs/dbraw/zinc/79/69/44/542796944.db2.gz VYPRTJAIPBQYKB-IRXDYDNUSA-N 1 0 354.458 2.347 20 30 FEEDRO CS(=O)(=O)Nc1ccc(OCC[NH2+]Cc2ccc(C#N)cc2F)cc1 ZINC000091069807 542792974 /nfs/dbraw/zinc/79/29/74/542792974.db2.gz JNVHVMQYZOWNPW-UHFFFAOYSA-N 1 0 363.414 2.237 20 30 FEEDRO CC[NH+](CC)CCn1ccc2cc(NC(=O)C(=O)NC[C@H](C)C#N)ccc21 ZINC000091282152 542803984 /nfs/dbraw/zinc/80/39/84/542803984.db2.gz PYKYJKSFXRFPOG-OAHLLOKOSA-N 1 0 369.469 2.197 20 30 FEEDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000092284410 542854225 /nfs/dbraw/zinc/85/42/25/542854225.db2.gz LEEYDEZJXMBHJY-LXPRWKDFSA-N 1 0 371.485 2.427 20 30 FEEDRO COc1ccccc1NC(=O)C1CC[NH+](CCC(=O)N(C)CCC#N)CC1 ZINC000092802740 542888214 /nfs/dbraw/zinc/88/82/14/542888214.db2.gz SUFZTIRBSCCYDU-UHFFFAOYSA-N 1 0 372.469 2.108 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1ccnn1Cc1ccccn1 ZINC000093355190 542928279 /nfs/dbraw/zinc/92/82/79/542928279.db2.gz RHBWBEHKHOQGSS-UHFFFAOYSA-N 1 0 355.446 2.026 20 30 FEEDRO CN(C)C(NCc1ccccc1)=[NH+]C[C@@H]1CCCN(c2ncccn2)C1 ZINC000093887661 542943919 /nfs/dbraw/zinc/94/39/19/542943919.db2.gz WTTKEUVTKQNOSL-SFHVURJKSA-N 1 0 352.486 2.400 20 30 FEEDRO C[C@@H]1CCC[N@H+](CCNC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)C1 ZINC000101607846 543036957 /nfs/dbraw/zinc/03/69/57/543036957.db2.gz DJSVPPGDOYXLBI-MRXNPFEDSA-N 1 0 373.476 2.261 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1cnc2ccccn2c1=O)C(C)C ZINC000101684527 543041213 /nfs/dbraw/zinc/04/12/13/543041213.db2.gz VRLIEHJFXFDEGJ-QGZVFWFLSA-N 1 0 354.454 2.123 20 30 FEEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(Cc2ccccc2OC)CC1 ZINC000102410455 543069192 /nfs/dbraw/zinc/06/91/92/543069192.db2.gz OVVFVIYNEAASQY-HNNXBMFYSA-N 1 0 359.470 2.350 20 30 FEEDRO C[NH+]=C(NCc1ccco1)NC[C@H](c1cccc(F)c1)N1CCOCC1 ZINC000103338148 543104387 /nfs/dbraw/zinc/10/43/87/543104387.db2.gz PPKNDAXUYDRIGQ-GOSISDBHSA-N 1 0 360.433 2.157 20 30 FEEDRO CNS(=O)(=O)c1cccc(CNC(=[NH2+])Nc2ccc3c(c2)CCC3)c1 ZINC000104169486 543125340 /nfs/dbraw/zinc/12/53/40/543125340.db2.gz DPXRJGUHVFQNBT-UHFFFAOYSA-N 1 0 358.467 2.010 20 30 FEEDRO CCOC(=O)N1CCC(NC(=[NH2+])NCc2nc(-c3ccccc3)c[nH]2)CC1 ZINC000104175319 543125436 /nfs/dbraw/zinc/12/54/36/543125436.db2.gz KNTDXWSNZPMABI-UHFFFAOYSA-N 1 0 370.457 2.102 20 30 FEEDRO COc1ccc(C)cc1-n1ccc(C(=O)N(CCC#N)CCC[NH+](C)C)n1 ZINC000104327212 543128735 /nfs/dbraw/zinc/12/87/35/543128735.db2.gz RACBQGHIXIQNPH-UHFFFAOYSA-N 1 0 369.469 2.497 20 30 FEEDRO CNC(=O)[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000104671792 543136456 /nfs/dbraw/zinc/13/64/56/543136456.db2.gz ZRMPNYUKHTULJE-HNNXBMFYSA-N 1 0 374.510 2.428 20 30 FEEDRO CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)Nc2ccc(CC#N)cc2)CC1=O ZINC000105316077 543170791 /nfs/dbraw/zinc/17/07/91/543170791.db2.gz YPYHNTUFIGNXRQ-AEFFLSMTSA-N 1 0 354.454 2.024 20 30 FEEDRO COc1cc[nH+]c(N2CCN(C(=O)NCc3ccc(C#N)cc3F)CC2)c1 ZINC000105721824 543181151 /nfs/dbraw/zinc/18/11/51/543181151.db2.gz CXQGLGPOCXFMKF-UHFFFAOYSA-N 1 0 369.400 2.133 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C[C@H](NC(N)=O)c2cccs2)CC1 ZINC000106037649 543186128 /nfs/dbraw/zinc/18/61/28/543186128.db2.gz RDOFOTFWSWGLDJ-AWEZNQCLSA-N 1 0 350.488 2.004 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)c2ccc(-n3cnnn3)cc2Cl)CC1 ZINC000106034982 543186372 /nfs/dbraw/zinc/18/63/72/543186372.db2.gz NHXYDDTZLZJQJF-UHFFFAOYSA-N 1 0 360.849 2.086 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)CC1 ZINC000106039346 543186925 /nfs/dbraw/zinc/18/69/25/543186925.db2.gz KPPWJACBNYLPEV-SFHVURJKSA-N 1 0 355.482 2.192 20 30 FEEDRO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+](C)C[C@@H]1CCCN1c1cccnn1 ZINC000106087282 543193625 /nfs/dbraw/zinc/19/36/25/543193625.db2.gz SCODVWQOQKFBIN-WBVHZDCISA-N 1 0 364.453 2.276 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cccnc2N2CCOCC2)CC1 ZINC000106323156 543223107 /nfs/dbraw/zinc/22/31/07/543223107.db2.gz NIBYFUHWJYMTBA-UHFFFAOYSA-N 1 0 359.474 2.080 20 30 FEEDRO CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000106870338 543251645 /nfs/dbraw/zinc/25/16/45/543251645.db2.gz XYEVVMHKRLBWAD-MRXNPFEDSA-N 1 0 358.442 2.486 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Cn1ncc2ccccc21 ZINC000107113070 543261831 /nfs/dbraw/zinc/26/18/31/543261831.db2.gz RVMPHNCDFWQMOD-UHFFFAOYSA-N 1 0 361.449 2.498 20 30 FEEDRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)c2ccc(C#N)cn2)c1 ZINC000107452283 543270691 /nfs/dbraw/zinc/27/06/91/543270691.db2.gz XPSSAIWMRMQMDR-UHFFFAOYSA-N 1 0 365.437 2.277 20 30 FEEDRO C[C@H]1CCC[N@H+](CCNC(=O)C(=O)Nc2ccccc2SCCC#N)C1 ZINC000108606648 543297192 /nfs/dbraw/zinc/29/71/92/543297192.db2.gz WXOCZEFPKMWZEQ-HNNXBMFYSA-N 1 0 374.510 2.479 20 30 FEEDRO N#Cc1ccccc1N1CCC[C@@H](NC(=O)N2CC[C@H]([NH+]3CCCC3)C2)C1 ZINC000109179700 543317378 /nfs/dbraw/zinc/31/73/78/543317378.db2.gz CBKGSHGHZCAXTR-MOPGFXCFSA-N 1 0 367.497 2.407 20 30 FEEDRO CCOc1ccc(N(CCC#N)C(=O)CN2CCC[C@@H]([NH+](C)C)C2)cc1 ZINC000109809216 543339990 /nfs/dbraw/zinc/33/99/90/543339990.db2.gz NNLCRNXNFCEKMX-GOSISDBHSA-N 1 0 358.486 2.358 20 30 FEEDRO C[C@H]([NH2+]CC1(N2CCSCC2)CCCCC1)C(=O)N(C)CCC#N ZINC000112547525 543450856 /nfs/dbraw/zinc/45/08/56/543450856.db2.gz BVAKPKFKZQNHOE-INIZCTEOSA-N 1 0 352.548 2.088 20 30 FEEDRO C=CC[N@H+](CCN1C(=O)NC2(CCCC2)C1=O)Cc1cccc(C#N)c1 ZINC000112691621 543456935 /nfs/dbraw/zinc/45/69/35/543456935.db2.gz UAHNISVBHUCCIB-UHFFFAOYSA-N 1 0 352.438 2.411 20 30 FEEDRO C#CCOc1ccc(C[NH2+][C@H](C)c2ccc(S(=O)(=O)NC)cc2)cc1 ZINC000113327218 543484296 /nfs/dbraw/zinc/48/42/96/543484296.db2.gz ZBAYZIKCZGEMFN-OAHLLOKOSA-N 1 0 358.463 2.458 20 30 FEEDRO COc1ccc([C@H](CO)[N@H+](C)C[C@@H](O)COc2ccc(CC#N)cc2)cc1 ZINC000113510075 543489522 /nfs/dbraw/zinc/48/95/22/543489522.db2.gz LPLDSKZJJFECFI-NQIIRXRSSA-N 1 0 370.449 2.166 20 30 FEEDRO C=CCN1C(=O)c2ccc(C(=O)NC[C@@H](CC(C)C)[NH+](C)C)cc2C1=O ZINC000114378182 543512170 /nfs/dbraw/zinc/51/21/70/543512170.db2.gz TWULNFFKTKWWMN-OAHLLOKOSA-N 1 0 357.454 2.175 20 30 FEEDRO CC[N@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1CCCOC)CC(C)(C)O ZINC000114487004 543520893 /nfs/dbraw/zinc/52/08/93/543520893.db2.gz FOTXHPBZXSTUFB-UHFFFAOYSA-N 1 0 364.490 2.044 20 30 FEEDRO Cc1nc2n(n1)C[C@H]([NH2+][C@H](C)C(=O)N(CCC#N)c1ccc(C)cc1)CC2 ZINC000114803195 543537501 /nfs/dbraw/zinc/53/75/01/543537501.db2.gz RYVSXBLDBJKIBG-NVXWUHKLSA-N 1 0 366.469 2.135 20 30 FEEDRO N#Cc1ccc([C@@H]([NH2+]CCc2cc(Cl)c3c(c2)OCCO3)C(N)=O)cc1 ZINC000115595976 543576912 /nfs/dbraw/zinc/57/69/12/543576912.db2.gz GUBLPJHRVIEFMX-QGZVFWFLSA-N 1 0 371.824 2.342 20 30 FEEDRO C#CCOc1cccc(NC(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)c1 ZINC000116589122 543611286 /nfs/dbraw/zinc/61/12/86/543611286.db2.gz FIOLWVLWQGFENQ-QGZVFWFLSA-N 1 0 359.470 2.120 20 30 FEEDRO Cc1nc(C#N)c(N2CCN(C(=O)C[NH2+][C@@H]3CCC(C)(C)C[C@@H]3C)CC2)o1 ZINC000120980054 543687321 /nfs/dbraw/zinc/68/73/21/543687321.db2.gz RFXGQFRNZUJZMO-GOEBONIOSA-N 1 0 373.501 2.308 20 30 FEEDRO C=CCCS(=O)(=O)N[C@@H](CC)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000121634751 543697741 /nfs/dbraw/zinc/69/77/41/543697741.db2.gz ZOLOAHSOKRUBDY-ZWKOTPCHSA-N 1 0 352.500 2.162 20 30 FEEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000118897879 543661730 /nfs/dbraw/zinc/66/17/30/543661730.db2.gz SXPBGNGUNAHRCR-LSDHHAIUSA-N 1 0 374.510 2.335 20 30 FEEDRO C[C@H]1C[C@@H](NC(=O)C(=O)Nc2cccc(C#N)c2)C[N@@H+]1Cc1ccccc1 ZINC000122818776 543725613 /nfs/dbraw/zinc/72/56/13/543725613.db2.gz OQLUZDFGBPBMDR-HNAYVOBHSA-N 1 0 362.433 2.276 20 30 FEEDRO N#Cc1ccc2ncc(C[NH2+]C[C@@H](c3cccs3)N3CCOCC3)n2c1 ZINC000123151017 543745460 /nfs/dbraw/zinc/74/54/60/543745460.db2.gz RDCNWDDCFSDGRO-KRWDZBQOSA-N 1 0 367.478 2.431 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1ccc2ccccc2c1 ZINC000122140601 543703697 /nfs/dbraw/zinc/70/36/97/543703697.db2.gz PNLAETGKGZKHDJ-UHFFFAOYSA-N 1 0 352.438 2.472 20 30 FEEDRO Cc1ccc(NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C)c(Cl)c1 ZINC000122168523 543704499 /nfs/dbraw/zinc/70/44/99/543704499.db2.gz RKLVXVDZJSPMTN-UHFFFAOYSA-N 1 0 350.850 2.281 20 30 FEEDRO C[C@@H]1C[NH+](CCCCNC(=O)Cc2ccc(OCC#N)cc2)C[C@@H](C)O1 ZINC000123661493 543775883 /nfs/dbraw/zinc/77/58/83/543775883.db2.gz QXSANXVRUZNKQF-IAGOWNOFSA-N 1 0 359.470 2.137 20 30 FEEDRO C[C@H]1C[NH+](CCCCNC(=O)Cc2ccc(OCC#N)cc2)C[C@H](C)O1 ZINC000123661273 543775888 /nfs/dbraw/zinc/77/58/88/543775888.db2.gz QXSANXVRUZNKQF-IRXDYDNUSA-N 1 0 359.470 2.137 20 30 FEEDRO C[C@@H]1C[C@H](NS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)CN1C1CC1 ZINC000124069931 543799784 /nfs/dbraw/zinc/79/97/84/543799784.db2.gz VZCJNNAVYHMURQ-PWSUYJOCSA-N 1 0 373.400 2.481 20 30 FEEDRO COCCN(Cc1ccc(C#N)cc1)C(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000124733705 543839811 /nfs/dbraw/zinc/83/98/11/543839811.db2.gz LYEXRZAENSINQI-QGZVFWFLSA-N 1 0 358.486 2.448 20 30 FEEDRO C=C[C@@H](CC(=O)N1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1)c1ccccc1 ZINC000125913365 543908528 /nfs/dbraw/zinc/90/85/28/543908528.db2.gz SRKZHUSGPNOIST-QFBILLFUSA-N 1 0 355.482 2.287 20 30 FEEDRO C[NH+](C)CCN(Cc1ccco1)S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000126292994 543928618 /nfs/dbraw/zinc/92/86/18/543928618.db2.gz CYQCVRPVDITFLK-UHFFFAOYSA-N 1 0 369.393 2.182 20 30 FEEDRO N#Cc1cc(F)c(C(=O)NC[C@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)c(F)c1 ZINC000127109877 543973361 /nfs/dbraw/zinc/97/33/61/543973361.db2.gz XQMWXWMGQUPKKF-CVEARBPZSA-N 1 0 371.387 2.202 20 30 FEEDRO Cc1cscc1NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000126462127 543937313 /nfs/dbraw/zinc/93/73/13/543937313.db2.gz NDGFGCMDYKMJCC-UHFFFAOYSA-N 1 0 370.478 2.457 20 30 FEEDRO CC(C)C[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2ccc(F)cc2C#N)C1 ZINC000128711073 544067682 /nfs/dbraw/zinc/06/76/82/544067682.db2.gz QMPBTBIIWDYDBE-AWEZNQCLSA-N 1 0 353.463 2.344 20 30 FEEDRO CCOc1ccc(C(=O)Nc2n[nH]c(CCC[NH2+]C)c2C#N)cc1OCC ZINC000128172541 544037135 /nfs/dbraw/zinc/03/71/35/544037135.db2.gz LGNADIMWEHRHIB-UHFFFAOYSA-N 1 0 371.441 2.483 20 30 FEEDRO C[C@H]1C[C@H](NS(=O)(=O)c2ccc(C#N)cc2)C[N@@H+]1Cc1ccccc1 ZINC000128216534 544039256 /nfs/dbraw/zinc/03/92/56/544039256.db2.gz LVWKSQNSOSAIKD-YJBOKZPZSA-N 1 0 355.463 2.500 20 30 FEEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000129686990 544123295 /nfs/dbraw/zinc/12/32/95/544123295.db2.gz KRRNTELTGWQXHL-UHFFFAOYSA-N 1 0 358.486 2.033 20 30 FEEDRO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(C)(C)Oc2ccc(C#N)cc2)CC1 ZINC000130492980 544153595 /nfs/dbraw/zinc/15/35/95/544153595.db2.gz VBSIJTPMZISEKJ-KRWDZBQOSA-N 1 0 372.513 2.105 20 30 FEEDRO C=CC[N@@H+](Cc1ccc(OC)cc1)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000131143450 544178049 /nfs/dbraw/zinc/17/80/49/544178049.db2.gz IRESTMQBKKFRJY-KRWDZBQOSA-N 1 0 352.500 2.355 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)NCc2ccc(O)c(Br)c2)CC1 ZINC000151519892 544551566 /nfs/dbraw/zinc/55/15/66/544551566.db2.gz KETSHFQRLCWTEQ-UHFFFAOYSA-N 1 0 351.244 2.116 20 30 FEEDRO C[C@@H]1C[C@@H](CNS(=O)(=O)c2ccc(C#N)nc2)C[N@@H+]1Cc1ccccc1 ZINC000152001560 544605275 /nfs/dbraw/zinc/60/52/75/544605275.db2.gz PJPRNBVXXODUSS-WBVHZDCISA-N 1 0 370.478 2.142 20 30 FEEDRO C=CCNC(=O)NC(=O)CN1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000152668239 544681905 /nfs/dbraw/zinc/68/19/05/544681905.db2.gz WBGJWORAYXJFSG-ZDUSSCGKSA-N 1 0 362.499 2.213 20 30 FEEDRO Cc1ccc(C)c(NC(=O)[C@@H](C)[N@H+](C)CCCc2[nH]nc(N)c2C#N)c1 ZINC000153320186 544760131 /nfs/dbraw/zinc/76/01/31/544760131.db2.gz JSXDDRZCKOUKQT-CQSZACIVSA-N 1 0 354.458 2.372 20 30 FEEDRO CN(CCC#N)C(=O)CC[N@H+]1C[C@H]2CCC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000153410501 544772653 /nfs/dbraw/zinc/77/26/53/544772653.db2.gz ZSZJVITUUHBTRK-IYBDPMFKSA-N 1 0 364.490 2.222 20 30 FEEDRO CN1c2ccccc2N(C)C1=C1C(=N)N(C[C@H]2CC[N@@H+](C3CC3)C2)CC1=O ZINC000153980023 544849137 /nfs/dbraw/zinc/84/91/37/544849137.db2.gz SLGBRUKDWIZDSR-AWEZNQCLSA-N 1 0 365.481 2.130 20 30 FEEDRO CCC[N@@H+]1CCCN(C(=O)C(=O)Nc2ccc(OC(C)C)c(C#N)c2)CC1 ZINC000155113928 544991655 /nfs/dbraw/zinc/99/16/55/544991655.db2.gz CQBLSXCONUROSP-UHFFFAOYSA-N 1 0 372.469 2.228 20 30 FEEDRO N#Cc1ccnc(N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)c1Cl ZINC000553082287 674237699 /nfs/dbraw/zinc/23/76/99/674237699.db2.gz YHXSJBYLGPTDTP-IRXDYDNUSA-N 1 0 356.857 2.902 20 30 FEEDRO Cn1cc(C[NH2+]Cc2cccnc2-n2cncn2)c(-c2ccc(C#N)cc2)n1 ZINC000180052125 327669189 /nfs/dbraw/zinc/66/91/89/327669189.db2.gz FYMSLQCHVZIOBN-UHFFFAOYSA-N 1 0 370.420 2.224 20 30 FEEDRO CCOc1ccc(C#N)cc1NC(=O)C(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000182151073 327763082 /nfs/dbraw/zinc/76/30/82/327763082.db2.gz MGBCBNATVIQHBK-OAHLLOKOSA-N 1 0 372.469 2.276 20 30 FEEDRO Cc1nc(C#N)c(N2CCC(C(=O)NCCC[NH+]3CCCCCC3)CC2)o1 ZINC000188469560 328088781 /nfs/dbraw/zinc/08/87/81/328088781.db2.gz QFJJKKITSNOUFW-UHFFFAOYSA-N 1 0 373.501 2.453 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1C[C@@H]2OCCC[C@H]12 ZINC000188595411 328097413 /nfs/dbraw/zinc/09/74/13/328097413.db2.gz UWRAFTXDIKWLAZ-QRVBRYPASA-N 1 0 356.470 2.199 20 30 FEEDRO N#Cc1ccc(C(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)cc1O ZINC000189197186 328134264 /nfs/dbraw/zinc/13/42/64/328134264.db2.gz AREKQXVAICTLBB-UHFFFAOYSA-N 1 0 357.454 2.228 20 30 FEEDRO CCC[NH+]1CCC(N(C)C(=O)C(=O)Nc2cc(C#N)ccc2Cl)CC1 ZINC000189265132 328137902 /nfs/dbraw/zinc/13/79/02/328137902.db2.gz RNGMKTWNNQCBDX-UHFFFAOYSA-N 1 0 362.861 2.483 20 30 FEEDRO N#Cc1ccc(NC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCCC2)c(F)c1 ZINC000189400237 328145673 /nfs/dbraw/zinc/14/56/73/328145673.db2.gz IWCOHSFCIUIYDC-HNNXBMFYSA-N 1 0 358.417 2.113 20 30 FEEDRO COc1ccc([C@@H](C[NH2+]Cc2cc(C#N)n(C)c2)N2CCOCC2)cc1 ZINC000190681335 328224601 /nfs/dbraw/zinc/22/46/01/328224601.db2.gz GYFIKTRHJPBTPG-HXUWFJFHSA-N 1 0 354.454 2.068 20 30 FEEDRO CCN(CC)S(=O)(=O)c1ccc(C[NH2+]Cc2cc(C#N)n(C)c2)cc1 ZINC000190697194 328225290 /nfs/dbraw/zinc/22/52/90/328225290.db2.gz WTUFNAQGNXEYRZ-UHFFFAOYSA-N 1 0 360.483 2.217 20 30 FEEDRO CC(C)C[C@@]1(CO)CCC[N@@H+]1CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000191657343 328276043 /nfs/dbraw/zinc/27/60/43/328276043.db2.gz DRWYJXUXTCOLEL-GOSISDBHSA-N 1 0 350.484 2.205 20 30 FEEDRO C[C@@H](CNC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C)[N@@H+]1CCC[C@H](C)C1 ZINC000192565177 328326129 /nfs/dbraw/zinc/32/61/29/328326129.db2.gz OYZSPWYFGXYROF-GJZGRUSLSA-N 1 0 373.501 2.290 20 30 FEEDRO C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000192568227 328326210 /nfs/dbraw/zinc/32/62/10/328326210.db2.gz ZESGAWJNUDJMAP-CQSZACIVSA-N 1 0 359.474 2.044 20 30 FEEDRO CCC[NH+]1CCC(CNC(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)CC1 ZINC000192985617 328350679 /nfs/dbraw/zinc/35/06/79/328350679.db2.gz XRWLOGRHQCKWOQ-UHFFFAOYSA-N 1 0 373.501 2.291 20 30 FEEDRO N#Cc1cc(F)ccc1S(=O)(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000192984677 328350803 /nfs/dbraw/zinc/35/08/03/328350803.db2.gz SSEDQLKIFDOQER-MRXNPFEDSA-N 1 0 373.453 2.498 20 30 FEEDRO C[C@@H](NC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C)C(C)(C)C[NH+](C)C ZINC000193153011 328359941 /nfs/dbraw/zinc/35/99/41/328359941.db2.gz YDXRRIRHDLGAFL-CYBMUJFWSA-N 1 0 361.490 2.146 20 30 FEEDRO CC[NH+]1CCC(N(C)CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CC1 ZINC000077249245 324983050 /nfs/dbraw/zinc/98/30/50/324983050.db2.gz KYCDTXHRXOYIHX-UHFFFAOYSA-N 1 0 366.469 2.099 20 30 FEEDRO N#Cc1cccc(NC(=O)C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000078728699 325060244 /nfs/dbraw/zinc/06/02/44/325060244.db2.gz GSAMUYHMXSOIMF-LJQANCHMSA-N 1 0 362.433 2.278 20 30 FEEDRO COC(=O)[C@H](NC1CC[NH+](CCOC(C)C)CC1)c1cccc(C#N)c1 ZINC000083032556 325211511 /nfs/dbraw/zinc/21/15/11/325211511.db2.gz JHFDRUSIZSZOPG-LJQANCHMSA-N 1 0 359.470 2.251 20 30 FEEDRO N#Cc1cc(NC(=O)NC[C@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)ccc1F ZINC000089868334 325338030 /nfs/dbraw/zinc/33/80/30/325338030.db2.gz HJUZLEMKIZXNCF-MSOLQXFVSA-N 1 0 368.412 2.454 20 30 FEEDRO CN(C(=O)/C=C/c1cccc(C#N)c1)C1CC[NH+](CCn2cccn2)CC1 ZINC000109291472 325663809 /nfs/dbraw/zinc/66/38/09/325663809.db2.gz UQBBBZMKEXYNGD-VOTSOKGWSA-N 1 0 363.465 2.391 20 30 FEEDRO C[C@@H](Oc1ccccc1C#N)C(=O)NCC1([NH+]2CCCCC2)CCOCC1 ZINC000111101928 325700977 /nfs/dbraw/zinc/70/09/77/325700977.db2.gz UHFVDZLMFZCVKI-QGZVFWFLSA-N 1 0 371.481 2.477 20 30 FEEDRO COc1cc(C#N)ccc1OCC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000112919274 325813421 /nfs/dbraw/zinc/81/34/21/325813421.db2.gz LLSOAUWHKNBBES-UHFFFAOYSA-N 1 0 357.454 2.280 20 30 FEEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2cc(C#N)ccc2Cl)[C@H](C)C1 ZINC000119766792 326195920 /nfs/dbraw/zinc/19/59/20/326195920.db2.gz HYXXLLXIRSJCMC-WBMJQRKESA-N 1 0 362.861 2.339 20 30 FEEDRO N#Cc1ccsc1NC(=O)CC[N@@H+]1CC[C@@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000119809669 326200968 /nfs/dbraw/zinc/20/09/68/326200968.db2.gz CKXUCVHNHMWWOU-GDBMZVCRSA-N 1 0 372.494 2.424 20 30 FEEDRO Cn1ccnc1[C@@H](O)C1CC[NH+](CCC(=O)Nc2sccc2C#N)CC1 ZINC000120420054 326257298 /nfs/dbraw/zinc/25/72/98/326257298.db2.gz JIIIPTFTCQIFKB-INIZCTEOSA-N 1 0 373.482 2.127 20 30 FEEDRO CCC[C@@H]1CN([C@@H](C)C(=O)Nc2cccc(C#N)c2)CC[N@@H+]1CCOC ZINC000121670150 326357027 /nfs/dbraw/zinc/35/70/27/326357027.db2.gz FSHDDDZMXDINPI-QFBILLFUSA-N 1 0 358.486 2.318 20 30 FEEDRO N#Cc1ccc2ncc(C[NH2+]CC3(N4CCOCC4)CCCCC3)n2c1 ZINC000123153471 326422050 /nfs/dbraw/zinc/42/20/50/326422050.db2.gz QKZZYMQILLLRMJ-UHFFFAOYSA-N 1 0 353.470 2.331 20 30 FEEDRO COc1cc(C#N)ccc1OCC[NH+]1CCC(OC[C@H]2CCOC2)CC1 ZINC000131926175 326584385 /nfs/dbraw/zinc/58/43/85/326584385.db2.gz UCXIKNKFTBLOPU-KRWDZBQOSA-N 1 0 360.454 2.463 20 30 FEEDRO C[C@H](NC(=O)C(=O)Nc1cc(C#N)ccc1Cl)C(C)(C)C[NH+](C)C ZINC000133538868 326610720 /nfs/dbraw/zinc/61/07/20/326610720.db2.gz CDFDXGZXTNVWEZ-NSHDSACASA-N 1 0 350.850 2.243 20 30 FEEDRO C[C@@H]1C[NH+](CC2CCN(C(=O)CNc3cccc(C#N)c3)CC2)C[C@@H](C)O1 ZINC000156704832 326841288 /nfs/dbraw/zinc/84/12/88/326841288.db2.gz OHZLXVHZPQVMKI-IAGOWNOFSA-N 1 0 370.497 2.318 20 30 FEEDRO C[NH+](C)[C@H]1CCCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)C1 ZINC000157429988 326865236 /nfs/dbraw/zinc/86/52/36/326865236.db2.gz BFNKDIRNBVIKPP-ZDUSSCGKSA-N 1 0 361.389 2.292 20 30 FEEDRO C[NH+](C)C[C@H]1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)C1 ZINC000157557783 326868705 /nfs/dbraw/zinc/86/87/05/326868705.db2.gz RRWVVAZCODINSP-LLVKDONJSA-N 1 0 361.389 2.149 20 30 FEEDRO C[NH+](C)CC1CCC(NC(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000158081611 326884468 /nfs/dbraw/zinc/88/44/68/326884468.db2.gz ARCLPKFAEMJISU-UHFFFAOYSA-N 1 0 362.861 2.387 20 30 FEEDRO CC[NH+](CC)C[C@@H]1CCN(S(=O)(=O)Cc2cc(C#N)ccc2F)C1 ZINC000163950259 327061954 /nfs/dbraw/zinc/06/19/54/327061954.db2.gz ODONIHNBYPMQOV-HNNXBMFYSA-N 1 0 353.463 2.191 20 30 FEEDRO Cc1cc(C#N)ccc1C(=O)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000164212651 327066759 /nfs/dbraw/zinc/06/67/59/327066759.db2.gz SHXRQYRIOJFWAE-ROUUACIJSA-N 1 0 354.498 2.497 20 30 FEEDRO N#Cc1ccc(N2CC[C@@H](N3CCC(C[NH+]4CCCC4)CC3)C2=O)cc1 ZINC000171671615 327154001 /nfs/dbraw/zinc/15/40/01/327154001.db2.gz AGZXUHRPLNKYFJ-HXUWFJFHSA-N 1 0 352.482 2.471 20 30 FEEDRO N#Cc1ccccc1N1CCC[N@@H+](CCn2cnc3ccccc3c2=O)CC1 ZINC000172244321 327189347 /nfs/dbraw/zinc/18/93/47/327189347.db2.gz GYUWUGLNSJEOEA-UHFFFAOYSA-N 1 0 373.460 2.480 20 30 FEEDRO Cc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000172299884 327193764 /nfs/dbraw/zinc/19/37/64/327193764.db2.gz ZATDNPJODLHNMU-SFHVURJKSA-N 1 0 368.412 2.363 20 30 FEEDRO CCOc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000172307731 327194509 /nfs/dbraw/zinc/19/45/09/327194509.db2.gz FXSUFKPTJSAZLJ-MRXNPFEDSA-N 1 0 372.469 2.132 20 30 FEEDRO C[C@H]([NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(C#N)cc1 ZINC000173999367 327300661 /nfs/dbraw/zinc/30/06/61/327300661.db2.gz VGOQBSACTMURKO-ZDUSSCGKSA-N 1 0 374.422 2.096 20 30 FEEDRO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000174178586 327310927 /nfs/dbraw/zinc/31/09/27/327310927.db2.gz FHMYXBQSBLLGHV-YLJYHZDGSA-N 1 0 371.481 2.142 20 30 FEEDRO Cc1cccc(NC(=O)C(=O)NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)c1C#N ZINC000174767822 327349553 /nfs/dbraw/zinc/34/95/53/327349553.db2.gz BLYRBPAUYYWDGZ-VLIAUNLRSA-N 1 0 356.470 2.432 20 30 FEEDRO CCc1cc(N2CCC([NH2+]Cc3cnc4ccc(C#N)cn34)CC2)ncn1 ZINC000174935841 327362119 /nfs/dbraw/zinc/36/21/19/327362119.db2.gz BWCCMDRSFDIQQX-UHFFFAOYSA-N 1 0 361.453 2.317 20 30 FEEDRO C[C@H](NC(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1)c1ccc(C#N)cc1 ZINC000264019496 328984914 /nfs/dbraw/zinc/98/49/14/328984914.db2.gz KDFIOWOIHNNMBK-KRWDZBQOSA-N 1 0 369.513 2.288 20 30 FEEDRO CC1(C2CC[NH+]([C@@H]3CCN(c4ccc(C#N)cc4)C3=O)CC2)OCCO1 ZINC000268067777 329382007 /nfs/dbraw/zinc/38/20/07/329382007.db2.gz BNDXPBOODIKLDE-GOSISDBHSA-N 1 0 355.438 2.139 20 30 FEEDRO N#Cc1ccc(Cl)c(NC(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000268066328 329382016 /nfs/dbraw/zinc/38/20/16/329382016.db2.gz PMNCACGBOBXSDF-CQSZACIVSA-N 1 0 360.845 2.094 20 30 FEEDRO CCOC(=O)C[C@H](C)CNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000270470607 329603342 /nfs/dbraw/zinc/60/33/42/329603342.db2.gz BWBCDXDBMNPAAL-INIZCTEOSA-N 1 0 374.485 2.221 20 30 FEEDRO CC(=O)NC1CCC([NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000272248585 329763367 /nfs/dbraw/zinc/76/33/67/329763367.db2.gz UUGZICPEUGQFFS-FAFZWHIHSA-N 1 0 354.454 2.091 20 30 FEEDRO CN(C)c1ncc(C[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)s1 ZINC000272535435 329789483 /nfs/dbraw/zinc/78/94/83/329789483.db2.gz KNJBZJPITHDDFE-MRXNPFEDSA-N 1 0 355.467 2.366 20 30 FEEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(C#N)cc2Cl)[C@H](C)C1 ZINC000276211318 330129861 /nfs/dbraw/zinc/12/98/61/330129861.db2.gz ZYEMVDHRAPEZFF-MLGOLLRUSA-N 1 0 362.861 2.339 20 30 FEEDRO Cc1nc(C#N)c(N2CCC(C(=O)NCC[NH+]3CCCCCC3)CC2)o1 ZINC000276463077 330154451 /nfs/dbraw/zinc/15/44/51/330154451.db2.gz PCYHDAFYSSNBNZ-UHFFFAOYSA-N 1 0 359.474 2.063 20 30 FEEDRO C[C@]1(CNS(=O)(=O)c2ccc(C#N)o2)CC[N@H+](Cc2ccccc2)C1 ZINC000805086609 674318056 /nfs/dbraw/zinc/31/80/56/674318056.db2.gz DGDULCIDABTVJC-GOSISDBHSA-N 1 0 359.451 2.342 20 30 FEEDRO CN(C)C(=O)[C@H]1CC[C@@H](C[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)O1 ZINC000554972484 674344015 /nfs/dbraw/zinc/34/40/15/674344015.db2.gz MWGFRGMBHSIWGM-DZGCQCFKSA-N 1 0 355.360 2.302 20 30 FEEDRO CN(CC(=O)N[C@@](C)(C#N)C1CC1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000247556682 549356042 /nfs/dbraw/zinc/35/60/42/549356042.db2.gz QJZFLFPQOUIYHE-NQIIRXRSSA-N 1 0 354.498 2.249 20 30 FEEDRO CN(C(=O)C[NH2+]C(C)(C)C(=O)NCC(C)(C)C)C1(C#N)CCCCC1 ZINC000155536333 545538918 /nfs/dbraw/zinc/53/89/18/545538918.db2.gz WFISRGQJXRAYTI-UHFFFAOYSA-N 1 0 350.507 2.202 20 30 FEEDRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000155928224 545584758 /nfs/dbraw/zinc/58/47/58/545584758.db2.gz NRJRRZONLOXIJR-WFXMLNOXSA-N 1 0 356.514 2.082 20 30 FEEDRO C#CCCCCNC(=O)C(=O)Nc1ccc(N(C)C2CC[NH+](C)CC2)cc1 ZINC000159130230 545923987 /nfs/dbraw/zinc/92/39/87/545923987.db2.gz NWAZMOTWOQUMDX-UHFFFAOYSA-N 1 0 370.497 2.075 20 30 FEEDRO CC[NH+](CC)CCCNC(=O)C(=O)Nc1ccc(OC(C)C)c(C#N)c1 ZINC000159976026 545996877 /nfs/dbraw/zinc/99/68/77/545996877.db2.gz LILDJUDMHFHDEH-UHFFFAOYSA-N 1 0 360.458 2.132 20 30 FEEDRO C[C@@H]1CN(C(C)(C)CNC(=O)NCc2ccc(OCC#N)cc2)C[C@H](C)O1 ZINC000170804391 546177678 /nfs/dbraw/zinc/17/76/78/546177678.db2.gz NDVBUNSTACYRKZ-IYBDPMFKSA-N 1 0 374.485 2.276 20 30 FEEDRO COc1ccc(CNC(=[NH2+])NCc2ccc(NC(C)=O)cc2)cc1OC ZINC000170909890 546181682 /nfs/dbraw/zinc/18/16/82/546181682.db2.gz XXVMXXOEGUJGDQ-UHFFFAOYSA-N 1 0 356.426 2.267 20 30 FEEDRO CCC[NH+](CCC)CCCNC(=O)N1CCN(c2ccc(C#N)cn2)CC1 ZINC000171243683 546199988 /nfs/dbraw/zinc/19/99/88/546199988.db2.gz ISPFNLUSHVTVPE-UHFFFAOYSA-N 1 0 372.517 2.297 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CC(=O)N(c3ccccc3)C2)CC1 ZINC000171557374 546213972 /nfs/dbraw/zinc/21/39/72/546213972.db2.gz CWHOZNUFQSJKSH-QGZVFWFLSA-N 1 0 356.470 2.132 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)/C=C/c2ccc(OCC#N)c(OC)c2)CC1 ZINC000171725571 546221795 /nfs/dbraw/zinc/22/17/95/546221795.db2.gz WDYPAKGTGKWWBJ-FNORWQNLSA-N 1 0 355.438 2.377 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)[C@H]2CC(=O)N(c3ccccc3Cl)C2)CC1 ZINC000171723169 546222194 /nfs/dbraw/zinc/22/21/94/546222194.db2.gz FTZASPHDLOSLJB-AWEZNQCLSA-N 1 0 361.873 2.460 20 30 FEEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)NCCC[NH+]1CCCC1 ZINC000171772875 546225867 /nfs/dbraw/zinc/22/58/67/546225867.db2.gz IRAPYJNSAKGPBO-HNNXBMFYSA-N 1 0 374.510 2.479 20 30 FEEDRO CC[NH+]1CCN(c2ccc(CNC(=O)NCC(C)(C)CCC#N)cn2)CC1 ZINC000479341817 561187645 /nfs/dbraw/zinc/18/76/45/561187645.db2.gz FZINSKXGWUKWRE-UHFFFAOYSA-N 1 0 372.517 2.353 20 30 FEEDRO N#CCCn1cc(C[NH2+]CCCN2CCC(O)CC2)c(-c2ccccc2)n1 ZINC000172043860 546235226 /nfs/dbraw/zinc/23/52/26/546235226.db2.gz XBHRTKXQQKNEHN-UHFFFAOYSA-N 1 0 367.497 2.400 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)NC[C@](C)(O)c2ccc(F)cc2F)CC1 ZINC000172075678 546236062 /nfs/dbraw/zinc/23/60/62/546236062.db2.gz FDMYFWDNKZFLAO-SFHVURJKSA-N 1 0 353.413 2.122 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)[C@]2(C)CCCN2C(=O)c2ccccc2)CC1 ZINC000172291603 546244911 /nfs/dbraw/zinc/24/49/11/546244911.db2.gz BTAZYQKXDQHZJT-NRFANRHFSA-N 1 0 355.482 2.448 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N[C@@H](C)c2ccc3c(c2)O[C@@H](CC)C(=O)N3)CC1 ZINC000174922643 546304851 /nfs/dbraw/zinc/30/48/51/546304851.db2.gz AQEQWLPMJBZPEH-KSSFIOAISA-N 1 0 369.465 2.319 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N[C@H](CC(N)=O)c2cccc(Cl)c2)CC1 ZINC000175513255 546312127 /nfs/dbraw/zinc/31/21/27/546312127.db2.gz MCXCSHPENAFNCH-MRXNPFEDSA-N 1 0 364.877 2.206 20 30 FEEDRO C=CCSCCNC(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000176026912 546391948 /nfs/dbraw/zinc/39/19/48/546391948.db2.gz YSGZFDHDUXCMQJ-UHFFFAOYSA-N 1 0 363.527 2.362 20 30 FEEDRO Cn1cc(CNc2ccc3[nH]c(CCN4CCOCC4)[nH+]c3c2)cc1C#N ZINC000480312788 561206987 /nfs/dbraw/zinc/20/69/87/561206987.db2.gz YBLKJMOCCWNMNL-UHFFFAOYSA-N 1 0 364.453 2.260 20 30 FEEDRO C[NH+](C)Cc1ccnc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)c1 ZINC000176421262 546443645 /nfs/dbraw/zinc/44/36/45/546443645.db2.gz WNCUKQRKVMGVKF-UHFFFAOYSA-N 1 0 350.831 2.469 20 30 FEEDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)C1 ZINC000176568492 546462536 /nfs/dbraw/zinc/46/25/36/546462536.db2.gz BXQLPBJRUFVFON-IRXDYDNUSA-N 1 0 373.476 2.402 20 30 FEEDRO [NH2+]=C(NCc1nnc2n1CCCC2)NCc1ccc(OC(F)(F)F)cc1 ZINC000176967357 546516208 /nfs/dbraw/zinc/51/62/08/546516208.db2.gz ZSWYZOLMLAJKIG-UHFFFAOYSA-N 1 0 368.363 2.118 20 30 FEEDRO COc1cc(C#N)ccc1OCCCC(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000177064434 546536038 /nfs/dbraw/zinc/53/60/38/546536038.db2.gz BBIYEVSACCACPG-HOCLYGCPSA-N 1 0 357.454 2.467 20 30 FEEDRO CC(C)C[N@@H+]1CCC[C@@H](CNS(=O)(=O)Cc2ccc(C#N)cc2F)C1 ZINC000480712305 561215081 /nfs/dbraw/zinc/21/50/81/561215081.db2.gz SIWHKMQFRDELSG-INIZCTEOSA-N 1 0 367.490 2.485 20 30 FEEDRO C[N@H+]1[C@@H]2CC[C@H]1CCN(S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1)C2 ZINC000177667668 546663177 /nfs/dbraw/zinc/66/31/77/546663177.db2.gz FHOVXUBFNLFFJM-QWHCGFSZSA-N 1 0 373.400 2.434 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cc(C3CCCCC3)nn2C)CC1 ZINC000177736894 546676941 /nfs/dbraw/zinc/67/69/41/546676941.db2.gz JOZACEAZWAJMKX-UHFFFAOYSA-N 1 0 373.501 2.173 20 30 FEEDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)C1 ZINC000178027513 546725343 /nfs/dbraw/zinc/72/53/43/546725343.db2.gz QTWAWQHZEJXXSC-IRXDYDNUSA-N 1 0 356.470 2.415 20 30 FEEDRO Cc1c(C#N)cccc1NC(=O)C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000178417495 546790909 /nfs/dbraw/zinc/79/09/09/546790909.db2.gz DVNPXCWUDOOVNC-HUUCEWRRSA-N 1 0 356.470 2.289 20 30 FEEDRO Cc1c(C#N)cccc1NC(=O)C(=O)NC[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000178901389 546871295 /nfs/dbraw/zinc/87/12/95/546871295.db2.gz FVRUISJGNACWHD-INIZCTEOSA-N 1 0 356.470 2.289 20 30 FEEDRO CCOc1ccc(C#N)cc1NC(=O)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000178927621 546875272 /nfs/dbraw/zinc/87/52/72/546875272.db2.gz LGWUCFVPUGZZSI-UHFFFAOYSA-N 1 0 372.469 2.132 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N2C[C@@H](O)C[C@H]2c2cc(F)ccc2F)CC1 ZINC000179033428 546889700 /nfs/dbraw/zinc/88/97/00/546889700.db2.gz GLSWPRDRWITFSF-YJBOKZPZSA-N 1 0 365.424 2.433 20 30 FEEDRO N#CCCCOc1cccc(C[NH+]2CCC(C(=O)N3CCOCC3)CC2)c1 ZINC000179689347 546999221 /nfs/dbraw/zinc/99/92/21/546999221.db2.gz UXMJXWCLPDFILS-UHFFFAOYSA-N 1 0 371.481 2.440 20 30 FEEDRO N#CC1(c2ccc(C(=O)N3CCC(C[NH+]4CCOCC4)CC3)cc2)CC1 ZINC000179932581 547030364 /nfs/dbraw/zinc/03/03/64/547030364.db2.gz FAGQIDIXXZOVLL-UHFFFAOYSA-N 1 0 353.466 2.426 20 30 FEEDRO C=C(C)Cn1c(SCC(=O)NCCC[NH+](C)C)nnc1-c1ccncc1 ZINC000179985012 547036425 /nfs/dbraw/zinc/03/64/25/547036425.db2.gz JJBFMCGDOXDCRA-UHFFFAOYSA-N 1 0 374.514 2.076 20 30 FEEDRO CC[C@H]1Oc2cc([C@H](C)[NH2+]CC(=O)N(CC)C[C@@H](C)C#N)ccc2NC1=O ZINC000180013219 547039466 /nfs/dbraw/zinc/03/94/66/547039466.db2.gz CBOASRSRQCWMHK-GRDNDAEWSA-N 1 0 372.469 2.455 20 30 FEEDRO CCN1CC[NH+](C[C@H](C)CNC(=O)Nc2ccccc2O[C@H](C)C#N)CC1 ZINC000180017166 547039530 /nfs/dbraw/zinc/03/95/30/547039530.db2.gz NTGPRPDGHJDUNY-IAGOWNOFSA-N 1 0 373.501 2.373 20 30 FEEDRO Cc1cccc(S(=O)(=O)NCC2CCN(c3cc[nH+]cc3)CC2)c1C#N ZINC000180199327 547067051 /nfs/dbraw/zinc/06/70/51/547067051.db2.gz CKJCVNQLGTWOAF-UHFFFAOYSA-N 1 0 370.478 2.457 20 30 FEEDRO C=CCSCC[NH2+][C@@H](C)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000180454140 547109781 /nfs/dbraw/zinc/10/97/81/547109781.db2.gz POOUTTIORHFYEO-HNNXBMFYSA-N 1 0 370.540 2.277 20 30 FEEDRO N#Cc1ccc(CN2C(=O)[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2=O)c(F)c1 ZINC000180746244 547171953 /nfs/dbraw/zinc/17/19/53/547171953.db2.gz XLTCKJJOHUHMHJ-HDICACEKSA-N 1 0 363.392 2.314 20 30 FEEDRO O=C(NCC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)C1N=CC=CC1=O ZINC000180870097 547198306 /nfs/dbraw/zinc/19/83/06/547198306.db2.gz HDUBNACMFQVEBS-IJYGLTAASA-N 1 0 370.409 2.032 20 30 FEEDRO COc1c[nH+]ccc1N1CCN([C@@H](C)C(=O)Nc2ccccc2C#N)CC1 ZINC000483210524 561270438 /nfs/dbraw/zinc/27/04/38/561270438.db2.gz MLRAKXJRIFFFEJ-HNNXBMFYSA-N 1 0 365.437 2.111 20 30 FEEDRO C[C@@H]([NH2+]CC(=O)NC1(C#N)CCCCC1)c1ccc(-n2cncn2)cc1 ZINC000181522063 547329352 /nfs/dbraw/zinc/32/93/52/547329352.db2.gz PHQKHZJDPVYNOF-OAHLLOKOSA-N 1 0 352.442 2.261 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)CC1 ZINC000181566668 547337324 /nfs/dbraw/zinc/33/73/24/547337324.db2.gz SQZZXXJOIAOUDW-OAHLLOKOSA-N 1 0 358.490 2.222 20 30 FEEDRO CC[NH+](CC)C[C@@H](C)NC(=O)Nc1ccc(S(=O)(=O)[C@H](C)C#N)cc1 ZINC000483576326 561280002 /nfs/dbraw/zinc/28/00/02/561280002.db2.gz PZRNULVTZPMPMR-ZIAGYGMSSA-N 1 0 366.487 2.224 20 30 FEEDRO C=C(C)COc1cc(C[NH2+]C[C@H]2CC[C@H](C(=O)N(C)C)O2)ccc1OC ZINC000182041200 547427194 /nfs/dbraw/zinc/42/71/94/547427194.db2.gz VKGRVEYKBFLFNH-SJLPKXTDSA-N 1 0 362.470 2.376 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cc(C)nn2CCCCC)CC1 ZINC000483957028 561287939 /nfs/dbraw/zinc/28/79/39/561287939.db2.gz NSDKXMSIOWEYCJ-UHFFFAOYSA-N 1 0 361.490 2.087 20 30 FEEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](C)c1cnn(-c2ccc(F)cc2)c1C ZINC000182873797 547564911 /nfs/dbraw/zinc/56/49/11/547564911.db2.gz MMNCATBCJZHCGL-STQMWFEESA-N 1 0 373.432 2.371 20 30 FEEDRO CCN(CCC#N)C(=O)C[NH+]1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000183202550 547619585 /nfs/dbraw/zinc/61/95/85/547619585.db2.gz GIVWGFOZQOLYHD-UHFFFAOYSA-N 1 0 357.380 2.301 20 30 FEEDRO COc1cccc([C@H]2[C@H](NC(=O)C3(C#N)CCOCC3)CC[N@@H+]2C2CC2)c1 ZINC000183266226 547630723 /nfs/dbraw/zinc/63/07/23/547630723.db2.gz QXJBJRZXPITBAW-MOPGFXCFSA-N 1 0 369.465 2.410 20 30 FEEDRO C[NH+](C)CCN1C[C@@H](C(=O)NC2(C#N)CCC(C(C)(C)C)CC2)CC1=O ZINC000183906771 547737666 /nfs/dbraw/zinc/73/76/66/547737666.db2.gz MLEJJNYZUKAUNV-SHPPYHEDSA-N 1 0 362.518 2.011 20 30 FEEDRO C[NH+]1CCN(c2ncccc2CNc2ccc([N+](=O)[O-])c(C#N)c2)CC1 ZINC000183979658 547748483 /nfs/dbraw/zinc/74/84/83/547748483.db2.gz HBTKBYJBASOXBA-UHFFFAOYSA-N 1 0 352.398 2.225 20 30 FEEDRO C[NH+](C)CC(C)(C)CNS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000184096716 547769257 /nfs/dbraw/zinc/76/92/57/547769257.db2.gz HZIKWMFONHAFBK-UHFFFAOYSA-N 1 0 363.405 2.443 20 30 FEEDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000184592213 547850923 /nfs/dbraw/zinc/85/09/23/547850923.db2.gz XURHYAKQYPKJGI-AWEZNQCLSA-N 1 0 353.430 2.135 20 30 FEEDRO CCCC[C@@H]([NH2+]CC(=O)N1CCN(c2oc(C)nc2C#N)CC1)C1CCC1 ZINC000184908101 547897204 /nfs/dbraw/zinc/89/72/04/547897204.db2.gz HSADJSLZTHRZKJ-QGZVFWFLSA-N 1 0 373.501 2.452 20 30 FEEDRO CC(C)C[C@H](CO)[N@H+](C)CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000185350239 547974748 /nfs/dbraw/zinc/97/47/48/547974748.db2.gz DTGSICFSFGNVFC-QGZVFWFLSA-N 1 0 355.442 2.021 20 30 FEEDRO COc1cc(C#N)ccc1S(=O)(=O)N(CC[NH+](C)C)C1CCCCC1 ZINC000185831567 548042443 /nfs/dbraw/zinc/04/24/43/548042443.db2.gz JVMYWDSJSLCEPN-UHFFFAOYSA-N 1 0 365.499 2.452 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1 ZINC000186113627 548086708 /nfs/dbraw/zinc/08/67/08/548086708.db2.gz IYWGQGSZKKACLZ-INIZCTEOSA-N 1 0 350.532 2.472 20 30 FEEDRO N#Cc1ccc(N2CC[C@@H]([N@@H+]3CCSC4(CCOCC4)C3)C2=O)cc1 ZINC000186810292 548197735 /nfs/dbraw/zinc/19/77/35/548197735.db2.gz YBBXBBRSKYWCOH-QGZVFWFLSA-N 1 0 357.479 2.262 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H]2CCN(Cc3ccc(C)cc3)C2=O)CC1 ZINC000188691567 548285765 /nfs/dbraw/zinc/28/57/65/548285765.db2.gz DTYYDUFDESWEDW-LJQANCHMSA-N 1 0 370.497 2.046 20 30 FEEDRO C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000190026782 548316577 /nfs/dbraw/zinc/31/65/77/548316577.db2.gz DDHYHZDEEXVBPR-JKSUJKDBSA-N 1 0 370.453 2.003 20 30 FEEDRO C#CCN(CC#C)C(=O)C(=O)Nc1cccc2c1C[N@H+]([C@H](C)C(C)C)C2 ZINC000190437303 548324083 /nfs/dbraw/zinc/32/40/83/548324083.db2.gz PQMAHUASQSODSK-MRXNPFEDSA-N 1 0 351.450 2.080 20 30 FEEDRO C=CCN(CC=C)C(=O)C[NH2+][C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1 ZINC000192156782 548359896 /nfs/dbraw/zinc/35/98/96/548359896.db2.gz UNBBISJWWUNFQT-QFBILLFUSA-N 1 0 361.873 2.402 20 30 FEEDRO N#Cc1ccncc1C(=O)NC1CC[NH+](CCOc2ccc(F)cc2)CC1 ZINC000486366009 561345348 /nfs/dbraw/zinc/34/53/48/561345348.db2.gz ATENEJGKHZKTQT-UHFFFAOYSA-N 1 0 368.412 2.366 20 30 FEEDRO CCOC1CC(CNC(=[NH2+])Nc2ccc3c(c2)CCC3)(N2CCOCC2)C1 ZINC000193827450 548398301 /nfs/dbraw/zinc/39/83/01/548398301.db2.gz RCOOACBJTHIGIF-UHFFFAOYSA-N 1 0 372.513 2.172 20 30 FEEDRO C[N@H+]1C[C@H]2CN(C(=O)C(=O)Nc3ccccc3C#Cc3ccccc3)C[C@H]2C1 ZINC000194929864 548553817 /nfs/dbraw/zinc/55/38/17/548553817.db2.gz USORWTPBYYFIRN-BGYRXZFFSA-N 1 0 373.456 2.045 20 30 FEEDRO CCN(CC)C(=O)CN1CCC[N@H+](Cc2ccc(O[C@H](C)C#N)cc2)CC1 ZINC000245511903 548937181 /nfs/dbraw/zinc/93/71/81/548937181.db2.gz ZLNLMVTYYWYLBM-GOSISDBHSA-N 1 0 372.513 2.354 20 30 FEEDRO COCCOC[C@H]1CC[N@@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000245519543 548938126 /nfs/dbraw/zinc/93/81/26/548938126.db2.gz IQRAJTQMQLLJCZ-HKUYNNGSSA-N 1 0 357.454 2.039 20 30 FEEDRO C[N@@H+]1CCC[C@@H]2CN([C@H]3CCCN(c4ccc(C#N)cc4)C3=O)CC[C@H]21 ZINC000245523718 548939423 /nfs/dbraw/zinc/93/94/23/548939423.db2.gz NAWYXHIMUBEXHO-RLLQIKCJSA-N 1 0 352.482 2.470 20 30 FEEDRO N#Cc1ccc(N2CCC[C@H]([N@@H+]3CCC[C@@H](C4OCCO4)C3)C2=O)cc1 ZINC000245532554 548940348 /nfs/dbraw/zinc/94/03/48/548940348.db2.gz USZUPTUWCNGAQH-AEFFLSMTSA-N 1 0 355.438 2.139 20 30 FEEDRO CN(C(=O)c1ccc(C#N)cn1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000245706358 548980151 /nfs/dbraw/zinc/98/01/51/548980151.db2.gz MJQFWMQVBKYOOH-VQTJNVASSA-N 1 0 369.513 2.362 20 30 FEEDRO C[C@@H]1CC[N@H+](CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)[C@H]1C ZINC000245848164 549002760 /nfs/dbraw/zinc/00/27/60/549002760.db2.gz LTOBDCYZXBJNGG-GJYPPUQNSA-N 1 0 358.461 2.265 20 30 FEEDRO CC(=O)N1CC[C@H](C[N@@H+](C)[C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1 ZINC000246058235 549043011 /nfs/dbraw/zinc/04/30/11/549043011.db2.gz BFGJKFOJBHHBGL-URTYCYGZSA-N 1 0 362.518 2.106 20 30 FEEDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 ZINC000246814820 549219536 /nfs/dbraw/zinc/21/95/36/549219536.db2.gz VHSHDGAJDJGPGB-UXHICEINSA-N 1 0 369.513 2.280 20 30 FEEDRO C=CCn1cccc1C(=O)N(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000488894417 561399011 /nfs/dbraw/zinc/39/90/11/561399011.db2.gz CHUFZEXXFWLTHG-NRFANRHFSA-N 1 0 353.466 2.383 20 30 FEEDRO C=C[C@@H]1CCCC[N@@H+]1CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 ZINC000489473863 561412369 /nfs/dbraw/zinc/41/23/69/561412369.db2.gz JWGHXSVLLJFGII-IAGOWNOFSA-N 1 0 358.511 2.497 20 30 FEEDRO C[C@H]1CN(CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)[C@@H](C)CO1 ZINC000249059886 549544610 /nfs/dbraw/zinc/54/46/10/549544610.db2.gz PQNJNABWOIXZJB-KBPBESRZSA-N 1 0 354.372 2.282 20 30 FEEDRO CCOCCC[N@@H+]1CC[C@H](N[C@H](C(=O)OC)c2cccc(C#N)c2)[C@@H](C)C1 ZINC000249450337 549593811 /nfs/dbraw/zinc/59/38/11/549593811.db2.gz OFMKHPYOZUMOPA-VDGAXYAQSA-N 1 0 373.497 2.499 20 30 FEEDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1 ZINC000249982127 549636003 /nfs/dbraw/zinc/63/60/03/549636003.db2.gz AXSNUUOWUWEMIM-STQMWFEESA-N 1 0 362.861 2.387 20 30 FEEDRO CCCN(CC[NH+]1CCCCC1)S(=O)(=O)c1cnc(C)c(C#N)c1 ZINC000489847242 561420466 /nfs/dbraw/zinc/42/04/66/561420466.db2.gz DEMFESHSAHHWPM-UHFFFAOYSA-N 1 0 350.488 2.148 20 30 FEEDRO C[NH+]=C(NCc1coc(-c2ccc(C)cc2)n1)N1CCO[C@H](COC)C1 ZINC000261958713 549774549 /nfs/dbraw/zinc/77/45/49/549774549.db2.gz OZMHJCAKPWUCQQ-KRWDZBQOSA-N 1 0 358.442 2.073 20 30 FEEDRO Cc1nnc(CNC(N[C@@H]2CCOc3ccccc32)=[NH+]CC2CCC2)n1C ZINC000261977829 549776191 /nfs/dbraw/zinc/77/61/91/549776191.db2.gz OCBMPVHPBPAXKA-QGZVFWFLSA-N 1 0 368.485 2.483 20 30 FEEDRO C[C@@H]1CCCN(S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)[C@@H]1C[NH3+] ZINC000262023511 549781318 /nfs/dbraw/zinc/78/13/18/549781318.db2.gz IWXPDZNKXAACAY-QMTHXVAHSA-N 1 0 361.389 2.325 20 30 FEEDRO C[NH+]=C(NCCS(C)(=O)=O)N[C@H](C)c1ccc(Cl)cc1Cl ZINC000262220998 549800060 /nfs/dbraw/zinc/80/00/60/549800060.db2.gz LKAAXSSVKCTQHT-SECBINFHSA-N 1 0 352.287 2.264 20 30 FEEDRO NS(=O)(=O)c1ccc(CNC(=[NH2+])Nc2cccc3c2CCCC3)s1 ZINC000262443735 549820667 /nfs/dbraw/zinc/82/06/67/549820667.db2.gz IFLAVMXEDFIQJM-UHFFFAOYSA-N 1 0 364.496 2.201 20 30 FEEDRO C[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N1CCc2cc(C(C)(C)C)ccc21 ZINC000262461411 549821690 /nfs/dbraw/zinc/82/16/90/549821690.db2.gz XQJNBUKRTHEFHK-AWEZNQCLSA-N 1 0 363.527 2.357 20 30 FEEDRO C[NH+]=C(NCc1nc(-c2ccccc2)c[nH]1)N1CC[C@H](c2cnn(C)c2)C1 ZINC000262459971 549821802 /nfs/dbraw/zinc/82/18/02/549821802.db2.gz MEFKQCLHAWNZLO-INIZCTEOSA-N 1 0 363.469 2.375 20 30 FEEDRO CC[NH+]=C(NCC1CCN(S(=O)(=O)c2ccccc2)CC1)NC(C)C ZINC000262576071 549829640 /nfs/dbraw/zinc/82/96/40/549829640.db2.gz OIQRUJHGKRDXBO-UHFFFAOYSA-N 1 0 366.531 2.051 20 30 FEEDRO C[NH+]=C(NCc1cnc(N(C)C)n1C)N[C@@H](C)c1ccc(F)cc1F ZINC000262750442 549846125 /nfs/dbraw/zinc/84/61/25/549846125.db2.gz BPOJIQHMCMKBHR-NSHDSACASA-N 1 0 350.417 2.191 20 30 FEEDRO C[NH+]=C(NCc1cccc(OCC(=O)N(C)C)c1)N1CCc2ccccc21 ZINC000263276685 549891254 /nfs/dbraw/zinc/89/12/54/549891254.db2.gz YQLNDQBYVMYVNF-UHFFFAOYSA-N 1 0 366.465 2.292 20 30 FEEDRO COc1ccc(CCN/C(N)=[NH+]/Cc2cn3ccsc3n2)cc1OC ZINC000264069124 549975524 /nfs/dbraw/zinc/97/55/24/549975524.db2.gz FUGGTRPKRONOJR-UHFFFAOYSA-N 1 0 359.455 2.060 20 30 FEEDRO CCN(CC)C(=[NH2+])NCc1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000264292686 549993981 /nfs/dbraw/zinc/99/39/81/549993981.db2.gz QAYWADCOMHRZQV-UHFFFAOYSA-N 1 0 352.504 2.018 20 30 FEEDRO N#CCOc1cccc(NC(=O)C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)c1 ZINC000264458541 549996459 /nfs/dbraw/zinc/99/64/59/549996459.db2.gz IFFWRSVYILFIDZ-KRWDZBQOSA-N 1 0 370.453 2.004 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)Nc2cccc(CS(C)(=O)=O)c2)CC1 ZINC000264494499 549996786 /nfs/dbraw/zinc/99/67/86/549996786.db2.gz WKKRBAXGXKHWDP-UHFFFAOYSA-N 1 0 351.472 2.003 20 30 FEEDRO C=CCc1ccc(OC[C@H](O)CN2CC[NH+](C3CCC3)CC2)c(OC)c1 ZINC000264947919 550004399 /nfs/dbraw/zinc/00/43/99/550004399.db2.gz AKAIHNDPJNEASQ-LJQANCHMSA-N 1 0 360.498 2.334 20 30 FEEDRO C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N(CCC#N)CCC[NH+](C)C ZINC000265071607 550005682 /nfs/dbraw/zinc/00/56/82/550005682.db2.gz VQXCKAMONLBBOZ-AWEZNQCLSA-N 1 0 364.877 2.152 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)CC1 ZINC000265134337 550006412 /nfs/dbraw/zinc/00/64/12/550006412.db2.gz LKEZJMVSTNZSFI-HXUWFJFHSA-N 1 0 367.497 2.056 20 30 FEEDRO [NH2+]=C(NCCN1CCCS1(=O)=O)Nc1cccc(Oc2ccccc2)c1 ZINC000266989877 550025599 /nfs/dbraw/zinc/02/55/99/550025599.db2.gz TXYGADRFYDAGFL-UHFFFAOYSA-N 1 0 374.466 2.241 20 30 FEEDRO C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CC[NH+](C2CCOCC2)CC1 ZINC000267002617 550026411 /nfs/dbraw/zinc/02/64/11/550026411.db2.gz IADKLJGOOHXIIZ-SFHVURJKSA-N 1 0 370.497 2.118 20 30 FEEDRO C#CCOc1cccc(NC(=O)C(=O)NC2CC[NH+](C3CCCC3)CC2)c1 ZINC000267291645 550029332 /nfs/dbraw/zinc/02/93/32/550029332.db2.gz IPACKFUIFYZYFM-UHFFFAOYSA-N 1 0 369.465 2.160 20 30 FEEDRO CCOC(=O)N1CCC(NC(=[NH2+])NC[C@@H](C)Oc2ccc(F)cc2)CC1 ZINC000267382134 550030451 /nfs/dbraw/zinc/03/04/51/550030451.db2.gz AXLYZRDSVBQERB-CYBMUJFWSA-N 1 0 366.437 2.118 20 30 FEEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)[C@@H](O)CCc1ccccc1 ZINC000491570427 561446632 /nfs/dbraw/zinc/44/66/32/561446632.db2.gz PJEHBCZNVWICTC-NRFANRHFSA-N 1 0 365.477 2.442 20 30 FEEDRO NC(=O)[C@H]1CC[C@@H](CNC(=[NH2+])Nc2cccc(Oc3ccccc3)c2)O1 ZINC000268454164 550068328 /nfs/dbraw/zinc/06/83/28/550068328.db2.gz WDOSYHXXYDEHRO-DLBZAZTESA-N 1 0 354.410 2.238 20 30 FEEDRO C=CCN1C(=S)N=NC1c1sc(NC(=O)[C@H](CC)[NH+](C)C)nc1C ZINC000268758233 550112788 /nfs/dbraw/zinc/11/27/88/550112788.db2.gz ZDZLTUDTRRXZMQ-JTQLQIEISA-N 1 0 366.516 2.463 20 30 FEEDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000268809155 550118894 /nfs/dbraw/zinc/11/88/94/550118894.db2.gz STEZIJGSFUBSOT-YGRLFVJLSA-N 1 0 373.400 2.338 20 30 FEEDRO N#Cc1ccc(/C=C/C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)cc1 ZINC000269048047 550148832 /nfs/dbraw/zinc/14/88/32/550148832.db2.gz ADFZAFSHWFMNMD-RMQQFATJSA-N 1 0 353.466 2.456 20 30 FEEDRO N#Cc1ccc(NC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)c(F)c1 ZINC000269363094 550185765 /nfs/dbraw/zinc/18/57/65/550185765.db2.gz WGURSQYRSKFBRY-OAHLLOKOSA-N 1 0 358.417 2.113 20 30 FEEDRO N#Cc1ccc(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C3CCCC3)CC2)nc1 ZINC000269653546 550214343 /nfs/dbraw/zinc/21/43/43/550214343.db2.gz ITLSKFBOPCTTJF-GOSISDBHSA-N 1 0 353.470 2.009 20 30 FEEDRO Cc1ncc(S(=O)(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)s1 ZINC000269956482 550239170 /nfs/dbraw/zinc/23/91/70/550239170.db2.gz IEHHWSQMBVVLFT-UHFFFAOYSA-N 1 0 364.496 2.076 20 30 FEEDRO C[NH+]1CCC([C@@H]2CCN(C(=O)NCc3ccc(OCC#N)cc3)C2)CC1 ZINC000270046785 550245069 /nfs/dbraw/zinc/24/50/69/550245069.db2.gz BRGXMQYOIYWGME-GOSISDBHSA-N 1 0 356.470 2.462 20 30 FEEDRO C[C@@]1(CO)CCC[C@H]1[NH2+]CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000493709300 561457859 /nfs/dbraw/zinc/45/78/59/561457859.db2.gz QTLHCEBZIFDIRP-AEFFLSMTSA-N 1 0 368.399 2.314 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cc(-c3ncco3)ccc2C)CC1 ZINC000270269871 550258027 /nfs/dbraw/zinc/25/80/27/550258027.db2.gz GFXUTTNPFBQRHJ-UHFFFAOYSA-N 1 0 368.437 2.355 20 30 FEEDRO C=CCOc1cccc(NC(=O)C(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)c1 ZINC000270289852 550259405 /nfs/dbraw/zinc/25/94/05/550259405.db2.gz YPUQVADUUOHVFA-KRWDZBQOSA-N 1 0 371.481 2.380 20 30 FEEDRO C[NH+](C)C1(CNC(=O)Cc2cccc(OCC#N)c2)Cc2ccccc2C1 ZINC000270563668 550283927 /nfs/dbraw/zinc/28/39/27/550283927.db2.gz QVMFZOQISBPRMO-UHFFFAOYSA-N 1 0 363.461 2.347 20 30 FEEDRO CS[C@@H]1CN(CC(=O)Nc2sc(C)c(C)c2C#N)C[C@H]1[NH+](C)C ZINC000270686927 550297075 /nfs/dbraw/zinc/29/70/75/550297075.db2.gz WLZZDTRVJFLZMN-ZIAGYGMSSA-N 1 0 352.529 2.153 20 30 FEEDRO C[C@@H](C[NH+]1CCOCC1)C(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000271142284 550344391 /nfs/dbraw/zinc/34/43/91/550344391.db2.gz SLOZAWVRTBVGFZ-AWEZNQCLSA-N 1 0 354.372 2.141 20 30 FEEDRO COCC1(O)CC[NH+](Cc2cn(CCC#N)nc2-c2ccccc2)CC1 ZINC000271209623 550353649 /nfs/dbraw/zinc/35/36/49/550353649.db2.gz XTVWHJVKCFRWLW-UHFFFAOYSA-N 1 0 354.454 2.437 20 30 FEEDRO COc1ccc([C@@H](C)[NH2+]CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)cc1 ZINC000271728777 550397949 /nfs/dbraw/zinc/39/79/49/550397949.db2.gz YFLVFUDQZQAJBD-APWZRJJASA-N 1 0 358.486 2.038 20 30 FEEDRO C#CC[C@@H]([NH2+]CC(=O)N(CCC(N)=O)Cc1ccccc1)c1ccccc1 ZINC000271752257 550399790 /nfs/dbraw/zinc/39/97/90/550399790.db2.gz XWUFRRPQQOXNQA-HXUWFJFHSA-N 1 0 363.461 2.245 20 30 FEEDRO COC(=O)C1CC[NH+](CCCNC(=O)c2ccc(C3(C#N)CC3)cc2)CC1 ZINC000272073393 550420254 /nfs/dbraw/zinc/42/02/54/550420254.db2.gz VKTPXYYCHGQWIZ-UHFFFAOYSA-N 1 0 369.465 2.247 20 30 FEEDRO CC[NH+]1CCN([C@@H](C)CNC(=O)[C@@H](Oc2ccccc2C#N)C(C)C)CC1 ZINC000494328754 561467385 /nfs/dbraw/zinc/46/73/85/561467385.db2.gz VYFFDCVTNVXDTM-PXNSSMCTSA-N 1 0 372.513 2.104 20 30 FEEDRO C[N@@H+]1CC[C@H]2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3C#N)[C@H]2C1 ZINC000272405828 550444686 /nfs/dbraw/zinc/44/46/86/550444686.db2.gz KPWKEPLLETVURK-FZMZJTMJSA-N 1 0 373.400 2.292 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000272533169 550456051 /nfs/dbraw/zinc/45/60/51/550456051.db2.gz MUJMYZUIRHNMNH-UHFFFAOYSA-N 1 0 354.357 2.381 20 30 FEEDRO C[C@H](C#N)Oc1ccccc1NC(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000272663057 550463836 /nfs/dbraw/zinc/46/38/36/550463836.db2.gz IBDFNBMYHYRDLV-OLMNPRSZSA-N 1 0 372.469 2.477 20 30 FEEDRO CC(C)OC(=O)C[C@H]([NH2+]CC(=O)N(CCC#N)CCC#N)c1ccccc1 ZINC000272890549 550475542 /nfs/dbraw/zinc/47/55/42/550475542.db2.gz XSBMUYGKVMKHKO-SFHVURJKSA-N 1 0 370.453 2.315 20 30 FEEDRO CS[C@H]1CN(C(=O)Cc2ccc(OCC#N)cc2)C[C@H]1[NH+]1CCCC1 ZINC000273573038 550503665 /nfs/dbraw/zinc/50/36/65/550503665.db2.gz ZUBNYFGMSFQBGD-MSOLQXFVSA-N 1 0 359.495 2.170 20 30 FEEDRO C=CC[N@@H+](C)CCC(=O)Nc1sc(C(=O)OC)c(C)c1C(=O)OC ZINC000494636259 561473098 /nfs/dbraw/zinc/47/30/98/561473098.db2.gz IFTRGPWDMBTLPI-UHFFFAOYSA-N 1 0 354.428 2.076 20 30 FEEDRO CS(=O)(=O)CCCCCNC(=[NH2+])NCc1cccc(C(F)(F)F)c1 ZINC000274757013 550552630 /nfs/dbraw/zinc/55/26/30/550552630.db2.gz JBENQYZENYPAPA-UHFFFAOYSA-N 1 0 365.421 2.325 20 30 FEEDRO CCCOc1ccc(NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C)c(C)c1 ZINC000275897883 550575150 /nfs/dbraw/zinc/57/51/50/550575150.db2.gz QNKKOXARZBELFD-UHFFFAOYSA-N 1 0 374.485 2.416 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1ccc2c(c1)CC(C)(C)O2 ZINC000275958852 550575408 /nfs/dbraw/zinc/57/54/08/550575408.db2.gz ZUBIFACCVYGJTA-UHFFFAOYSA-N 1 0 372.469 2.033 20 30 FEEDRO CCCN(CC[NH+](CC)CC)C(=O)C(=O)Nc1ccccc1O[C@@H](C)C#N ZINC000275990183 550575821 /nfs/dbraw/zinc/57/58/21/550575821.db2.gz QFMDPTNORBVHLB-INIZCTEOSA-N 1 0 374.485 2.496 20 30 FEEDRO COc1ccc2c(c1)[C@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)CCS2 ZINC000276138319 550577045 /nfs/dbraw/zinc/57/70/45/550577045.db2.gz MYIPNSPRALGVPK-MGPWXQLLSA-N 1 0 359.451 2.348 20 30 FEEDRO N#CCCCCS(=O)(=O)NC[C@@H]1CSCCN1Cc1ccccc1 ZINC000277254618 550648263 /nfs/dbraw/zinc/64/82/63/550648263.db2.gz WCGKHPZMTCUJHN-QGZVFWFLSA-N 1 0 367.540 2.217 20 30 FEEDRO [NH2+]=C(NC[C@H](CO)Cc1cccc(Br)c1)Nc1ccccn1 ZINC000277508066 550678921 /nfs/dbraw/zinc/67/89/21/550678921.db2.gz WAVFNDDBNJJCAE-CYBMUJFWSA-N 1 0 363.259 2.422 20 30 FEEDRO C=CCOc1ccc(C[N@@H+]2C[C@H](OCCOC)C[C@H](CO)C2)cc1OC ZINC000278647784 550807780 /nfs/dbraw/zinc/80/77/80/550807780.db2.gz JNGAYBZKMCIJJE-ZWKOTPCHSA-N 1 0 365.470 2.106 20 30 FEEDRO COC[C@H]([NH2+][C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1)[C@H]1CCCO1 ZINC000278783868 550821641 /nfs/dbraw/zinc/82/16/41/550821641.db2.gz OMQLBFOZMIVKEI-XFBWCDHKSA-N 1 0 351.834 2.322 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)cc1 ZINC000279278353 550872610 /nfs/dbraw/zinc/87/26/10/550872610.db2.gz ODDAWOKVLGOILI-KZNAEPCWSA-N 1 0 360.479 2.269 20 30 FEEDRO CN(C)CC[NH+]1CCC(CNC(=O)c2ccc(C(C)(C)C#N)cc2)CC1 ZINC000280036947 550954910 /nfs/dbraw/zinc/95/49/10/550954910.db2.gz GLINJRHVFLJTBB-UHFFFAOYSA-N 1 0 356.514 2.491 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(C)c(OC(C)C)c2)CC1 ZINC000280069712 550957881 /nfs/dbraw/zinc/95/78/81/550957881.db2.gz BSYFXKWHHJTHNZ-UHFFFAOYSA-N 1 0 359.470 2.487 20 30 FEEDRO CCc1cccc(CC)c1NC(=[NH2+])NC[C@@H]1CCn2ncc(C(N)=O)c2C1 ZINC000280086946 550959445 /nfs/dbraw/zinc/95/94/45/550959445.db2.gz WEGCVTMISJALGW-CYBMUJFWSA-N 1 0 368.485 2.096 20 30 FEEDRO C[C@H]1C[N@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@@]2(CCOC2)O1 ZINC000280372944 550986605 /nfs/dbraw/zinc/98/66/05/550986605.db2.gz VMCQLKJXYQJSHO-MGPUTAFESA-N 1 0 352.438 2.339 20 30 FEEDRO Cc1cc(C)cc(N(CCC#N)C(=O)CN2CCO[C@]3(CCO[C@H]3C)C2)c1 ZINC000280532278 551004652 /nfs/dbraw/zinc/00/46/52/551004652.db2.gz SLZBSQPLFITYJZ-GHTZIAJQSA-N 1 0 371.481 2.430 20 30 FEEDRO C[NH+]1CCN(c2ccc(NC(=O)[C@@H](C#N)Cc3ccc(C#N)cc3)nc2)CC1 ZINC000280801489 551033683 /nfs/dbraw/zinc/03/36/83/551033683.db2.gz LULQQAULVLFHGR-GOSISDBHSA-N 1 0 374.448 2.026 20 30 FEEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CC[C@](C)(C(N)=O)C3)sc2C1 ZINC000280868312 551040943 /nfs/dbraw/zinc/04/09/43/551040943.db2.gz ZJAUXQIUFGNWLX-BLVKFPJESA-N 1 0 374.510 2.270 20 30 FEEDRO C=CCn1c(-c2ccccc2F)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000282192332 551193145 /nfs/dbraw/zinc/19/31/45/551193145.db2.gz GHCNEMLMQIGSQH-INIZCTEOSA-N 1 0 371.460 2.429 20 30 FEEDRO C=CCn1c(-c2ccc(C)o2)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000282265737 551203670 /nfs/dbraw/zinc/20/36/70/551203670.db2.gz LVBZJYBPDQPIQV-MRXNPFEDSA-N 1 0 357.458 2.191 20 30 FEEDRO CC(C)[NH2+]C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C)CC1 ZINC000282522364 551241200 /nfs/dbraw/zinc/24/12/00/551241200.db2.gz QVYNMPBIVWBAGF-UHFFFAOYSA-N 1 0 354.458 2.233 20 30 FEEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000283812136 551431033 /nfs/dbraw/zinc/43/10/33/551431033.db2.gz IOTYUTMWUIQXAD-QGZVFWFLSA-N 1 0 373.497 2.058 20 30 FEEDRO CC(C)N(Cc1ccc(C#N)cc1)C(=O)C(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000283968712 551459398 /nfs/dbraw/zinc/45/93/98/551459398.db2.gz SEOMBMQPCHVNFL-QGZVFWFLSA-N 1 0 370.497 2.143 20 30 FEEDRO CCC[NH+](CCC)CCCNC(=O)C(=O)N[C@@H](C)c1ccc(C#N)cc1 ZINC000284003001 551465979 /nfs/dbraw/zinc/46/59/79/551465979.db2.gz NDTVQAUTETWCLY-INIZCTEOSA-N 1 0 358.486 2.364 20 30 FEEDRO C=CCN(CCc1ccco1)C(=O)C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000284181326 551499543 /nfs/dbraw/zinc/49/95/43/551499543.db2.gz VJGMZNATTUHAOG-LJQANCHMSA-N 1 0 369.465 2.256 20 30 FEEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)C(=O)NCCCCC#N ZINC000284379514 551536695 /nfs/dbraw/zinc/53/66/95/551536695.db2.gz GZIYQLXSFWVIPK-QGZVFWFLSA-N 1 0 370.497 2.487 20 30 FEEDRO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)C(=O)NCCCCC#N)cc2)C1 ZINC000284577250 551581392 /nfs/dbraw/zinc/58/13/92/551581392.db2.gz VFBUHQMEWSOPPX-KRWDZBQOSA-N 1 0 370.497 2.345 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)NCc2ccc(OCC(C)C)cc2)CC1 ZINC000284908032 551664382 /nfs/dbraw/zinc/66/43/82/551664382.db2.gz DSLCBJGJFGWVFN-UHFFFAOYSA-N 1 0 373.497 2.104 20 30 FEEDRO CCOC(=O)c1cnn(CCC[NH+]2CCN(c3ccccc3)CC2)c1C#N ZINC000285250788 551726770 /nfs/dbraw/zinc/72/67/70/551726770.db2.gz RSWGMCKWKFHJNL-UHFFFAOYSA-N 1 0 367.453 2.144 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)NCc2ccccc2OCC(C)C)CC1 ZINC000285281945 551731797 /nfs/dbraw/zinc/73/17/97/551731797.db2.gz UZRBSYFEOLAPGG-UHFFFAOYSA-N 1 0 373.497 2.104 20 30 FEEDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000285381342 551746718 /nfs/dbraw/zinc/74/67/18/551746718.db2.gz RRVNOPPWSFJFAA-YPMHNXCESA-N 1 0 355.410 2.084 20 30 FEEDRO CC1CC[NH+]([C@@H](CNC(=O)C(=O)NCCCCC#N)c2ccccc2)CC1 ZINC000285422629 551754171 /nfs/dbraw/zinc/75/41/71/551754171.db2.gz IXYNKTOJAIOWMB-IBGZPJMESA-N 1 0 370.497 2.386 20 30 FEEDRO Cc1ccc(C#N)cc1S(=O)(=O)N[C@@H]1CN(C)C[C@@H]1c1ccccc1 ZINC000498850736 561535755 /nfs/dbraw/zinc/53/57/55/561535755.db2.gz BRMMIVGUIUXHEF-QZTJIDSGSA-N 1 0 355.463 2.243 20 30 FEEDRO C=CCC[C@@H](NC(=O)C(=O)NC1CC[NH+](CCOC)CC1)c1ccccc1 ZINC000285591884 551779743 /nfs/dbraw/zinc/77/97/43/551779743.db2.gz SLJYHIRFNFKCOP-LJQANCHMSA-N 1 0 373.497 2.037 20 30 FEEDRO C[C@H]1CN(C(=O)C2CCN(c3ccc(C#N)cc3F)CC2)C[C@@H]1[NH+](C)C ZINC000285969161 551832998 /nfs/dbraw/zinc/83/29/98/551832998.db2.gz GZZFZAINDCDEBA-LIRRHRJNSA-N 1 0 358.461 2.322 20 30 FEEDRO CC(C)[C@](C)(C#N)NC(=O)CN(C)CCc1nc(-c2ccccc2)no1 ZINC000286049343 551842814 /nfs/dbraw/zinc/84/28/14/551842814.db2.gz RAPAXUQKSSQWAL-IBGZPJMESA-N 1 0 355.442 2.265 20 30 FEEDRO N#CCCN(CCC#N)C(=O)C[N@@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 ZINC000286065177 551844717 /nfs/dbraw/zinc/84/47/17/551844717.db2.gz RRLKXAPTYZSBBD-AQNXPRMDSA-N 1 0 366.465 2.147 20 30 FEEDRO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(-n2cncn2)cc1 ZINC000499069385 561542524 /nfs/dbraw/zinc/54/25/24/561542524.db2.gz LVLASTYHGAPMNG-ZRGWGRIASA-N 1 0 354.458 2.361 20 30 FEEDRO N#Cc1ccc(N2CC[C@H](C(=O)N3CC[C@H](C[NH+]4CCCC4)C3)C2)c(F)c1 ZINC000286215221 551862115 /nfs/dbraw/zinc/86/21/15/551862115.db2.gz LBLXPLWIKWYDQS-MSOLQXFVSA-N 1 0 370.472 2.468 20 30 FEEDRO COC(=O)[C@@]1(C(F)(F)F)CCN([C@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000286350911 551877324 /nfs/dbraw/zinc/87/73/24/551877324.db2.gz FNMJUCBCQTVIQZ-BDJLRTHQSA-N 1 0 369.343 2.313 20 30 FEEDRO N#Cc1cc(N2CC[NH+](CCc3cccs3)CC2)cc(N)c1[N+](=O)[O-] ZINC000286354270 551878073 /nfs/dbraw/zinc/87/80/73/551878073.db2.gz LBYVIKUYUFQQTF-UHFFFAOYSA-N 1 0 357.439 2.475 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2c3cccc(F)c3CC[C@H]2C)CC1 ZINC000286367050 551879401 /nfs/dbraw/zinc/87/94/01/551879401.db2.gz CERXXQCOLCMYFT-AUUYWEPGSA-N 1 0 373.472 2.332 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N2CCC(C)(c3ccccc3)CC2)CC1 ZINC000286437173 551885188 /nfs/dbraw/zinc/88/51/88/551885188.db2.gz GSOMNUUBIMPRTE-UHFFFAOYSA-N 1 0 369.509 2.333 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H](Cc3ccccc3)[C@@H]2C)CC1 ZINC000286468588 551889096 /nfs/dbraw/zinc/88/90/96/551889096.db2.gz ILXJIGCNUPVIMX-HKUYNNGSSA-N 1 0 369.509 2.233 20 30 FEEDRO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCC[C@@](F)(CO)C1 ZINC000286737322 551920307 /nfs/dbraw/zinc/92/03/07/551920307.db2.gz DIQSEFMIQHKGQG-KDOFPFPSSA-N 1 0 351.397 2.257 20 30 FEEDRO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCC[C@](F)(CO)C1 ZINC000286737316 551920397 /nfs/dbraw/zinc/92/03/97/551920397.db2.gz DIQSEFMIQHKGQG-KBXCAEBGSA-N 1 0 351.397 2.257 20 30 FEEDRO N#Cc1cc(Br)ccc1CN1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC000286813883 551928616 /nfs/dbraw/zinc/92/86/16/551928616.db2.gz JVXRGHLFIDOINA-OCCSQVGLSA-N 1 0 350.216 2.251 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H](C)C[C@@H]2c2ccco2)CC1 ZINC000286824992 551930039 /nfs/dbraw/zinc/93/00/39/551930039.db2.gz WSSLQJYFJOBNRO-NVXWUHKLSA-N 1 0 359.470 2.346 20 30 FEEDRO C#CCN(Cc1ccccc1)C(=O)NCCCC[NH+]1CCN(CC)CC1 ZINC000287026792 551953492 /nfs/dbraw/zinc/95/34/92/551953492.db2.gz GSRQQMLRVAOATC-UHFFFAOYSA-N 1 0 356.514 2.249 20 30 FEEDRO COc1cc(OC)c2ncc(C#N)c(N[C@H](C)CN3CC[NH+](C)CC3)c2c1 ZINC000287329204 551990433 /nfs/dbraw/zinc/99/04/33/551990433.db2.gz MNDHHUMEYNQABV-CQSZACIVSA-N 1 0 369.469 2.171 20 30 FEEDRO C#CC[C@@H](Cc1ccccc1)NC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000287595860 552023159 /nfs/dbraw/zinc/02/31/59/552023159.db2.gz YJCVQMFNHBJDJC-FPOVZHCZSA-N 1 0 369.509 2.421 20 30 FEEDRO CC(C)Oc1ccc([C@@H](CNC(=O)N2CCO[C@@H](C#N)C2)[NH+](C)C)cc1 ZINC000287881955 552058393 /nfs/dbraw/zinc/05/83/93/552058393.db2.gz FPCUZVHNYLAJDR-ZWKOTPCHSA-N 1 0 360.458 2.010 20 30 FEEDRO CC(C)Oc1ccc([C@H](CNC(=O)N2CCO[C@@H](C#N)C2)[NH+](C)C)cc1 ZINC000287881953 552058403 /nfs/dbraw/zinc/05/84/03/552058403.db2.gz FPCUZVHNYLAJDR-ROUUACIJSA-N 1 0 360.458 2.010 20 30 FEEDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000288190062 552107318 /nfs/dbraw/zinc/10/73/18/552107318.db2.gz OVFBIKTWIXLMLO-GOEBONIOSA-N 1 0 371.485 2.138 20 30 FEEDRO C#CC[C@H](Cc1ccccc1)NC(=O)N1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000288240564 552116892 /nfs/dbraw/zinc/11/68/92/552116892.db2.gz SFWNDKOFORGRBS-NHCUHLMSSA-N 1 0 368.525 2.042 20 30 FEEDRO CCN(CCC#N)S(=O)(=O)NCC[NH+]1CCC2(CCCCC2)CC1 ZINC000499692388 561556242 /nfs/dbraw/zinc/55/62/42/561556242.db2.gz QPTBCVIRXMXWNS-UHFFFAOYSA-N 1 0 356.536 2.103 20 30 FEEDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)C(=O)Nc1cc(C#N)ccc1Cl ZINC000288327088 552133902 /nfs/dbraw/zinc/13/39/02/552133902.db2.gz XXYYXWDAGHHRCW-MLGOLLRUSA-N 1 0 360.845 2.235 20 30 FEEDRO Cc1cccc(NC(=O)C(=O)N(C)CCC[N@H+](C)Cc2ccco2)c1C#N ZINC000288355509 552139521 /nfs/dbraw/zinc/13/95/21/552139521.db2.gz IFZRTBZVLPXPPK-UHFFFAOYSA-N 1 0 368.437 2.379 20 30 FEEDRO C=CCSCCNC(=O)NCc1ccncc1OCCC[NH+](C)C ZINC000288401082 552147512 /nfs/dbraw/zinc/14/75/12/552147512.db2.gz BJSKWULHXNEGGH-UHFFFAOYSA-N 1 0 352.504 2.131 20 30 FEEDRO C=CCN1CC[C@H]([N@H+](C)C[C@@H](O)COc2cccc3ccccc32)C1=O ZINC000499940386 561562500 /nfs/dbraw/zinc/56/25/00/561562500.db2.gz RPFASAAXHKXRIH-MJGOQNOKSA-N 1 0 354.450 2.298 20 30 FEEDRO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CC[C@@](CO)(Cc2ccc(F)cc2)C1 ZINC000288788705 552212880 /nfs/dbraw/zinc/21/28/80/552212880.db2.gz KZSABNRVRRSVDB-OXJNMPFZSA-N 1 0 361.461 2.061 20 30 FEEDRO CC(C)N(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000288924334 552237182 /nfs/dbraw/zinc/23/71/82/552237182.db2.gz MAUQBSOOOLNKEG-QAPCUYQASA-N 1 0 368.481 2.037 20 30 FEEDRO N#CCCn1cc(CN2CCO[C@@]3(CCCOC3)C2)c(-c2ccncc2)n1 ZINC000289074766 552262211 /nfs/dbraw/zinc/26/22/11/552262211.db2.gz ANKAQYPZIRXKEZ-FQEVSTJZSA-N 1 0 367.453 2.240 20 30 FEEDRO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](C)C1CCN(C(=O)c2ccccc2)CC1 ZINC000500213094 561567954 /nfs/dbraw/zinc/56/79/54/561567954.db2.gz RVPACFCMIJYTDD-OAQYLSRUSA-N 1 0 370.497 2.277 20 30 FEEDRO CCN(CCC#N)C(=O)C[NH2+][C@@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000289361373 552306941 /nfs/dbraw/zinc/30/69/41/552306941.db2.gz IVUYLBJFEWATHM-SJLPKXTDSA-N 1 0 350.413 2.062 20 30 FEEDRO C=CCN(C)C(=O)C(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000289532823 552336320 /nfs/dbraw/zinc/33/63/20/552336320.db2.gz DXGKHCLHNVHLMY-BBRMVZONSA-N 1 0 367.852 2.233 20 30 FEEDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(S(=O)(=O)c2cncc(C#N)c2)C1 ZINC000289875552 552392735 /nfs/dbraw/zinc/39/27/35/552392735.db2.gz RCSYXUZROYTNPD-HZPDHXFCSA-N 1 0 362.499 2.228 20 30 FEEDRO N#Cc1cncc(S(=O)(=O)NCC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000289947085 552404046 /nfs/dbraw/zinc/40/40/46/552404046.db2.gz VURWXUVOARCDSB-UHFFFAOYSA-N 1 0 370.478 2.144 20 30 FEEDRO C[C@@](C#N)(NC(=O)C[NH2+][C@@H]1c2ccccc2CC12CCOCC2)C1CC1 ZINC000290051061 552420223 /nfs/dbraw/zinc/42/02/23/552420223.db2.gz DLEIFKUGQIVJLX-UXHICEINSA-N 1 0 353.466 2.479 20 30 FEEDRO C=CCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[NH+](CC)CC1 ZINC000290351765 552465334 /nfs/dbraw/zinc/46/53/34/552465334.db2.gz KNBUYUYTEIQACF-UHFFFAOYSA-N 1 0 357.458 2.290 20 30 FEEDRO C#CCC(CC#C)C(=O)N1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000290604559 552505789 /nfs/dbraw/zinc/50/57/89/552505789.db2.gz RLAOJOLNDBXVGE-QFIPXVFZSA-N 1 0 363.505 2.068 20 30 FEEDRO C=C[C@H](CO)NC(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000291064822 552582842 /nfs/dbraw/zinc/58/28/42/552582842.db2.gz RTGRAGFMJQFYAV-HUUCEWRRSA-N 1 0 357.376 2.126 20 30 FEEDRO CN(C(=O)CN1CC[C@](CO)(c2ccccc2)C1)C1(C#N)CCCCC1 ZINC000291380745 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362.474 2.495 20 30 FEEDRO Cc1ccc(NC(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1S(C)(=O)=O ZINC000328814566 553826183 /nfs/dbraw/zinc/82/61/83/553826183.db2.gz GGUUDBIIMFLMSS-GJZGRUSLSA-N 1 0 351.472 2.160 20 30 FEEDRO C[C@H](C(=O)NC(=O)NC1CCCCC1)N1CC[C@H](N2CCCC2=O)C1 ZINC000328815797 553826652 /nfs/dbraw/zinc/82/66/52/553826652.db2.gz CQEFLUHJDDXSFC-HIFRSBDPSA-N 1 0 350.463 2.275 20 30 FEEDRO C[NH+](C)C1(CNC(=O)N2CCOC[C@@H]2[C@@H]2CCC[C@@H]2O)CCCCC1 ZINC000328954728 553853080 /nfs/dbraw/zinc/85/30/80/553853080.db2.gz IQBNHHIEUVREGO-BBWFWOEESA-N 1 0 353.507 2.027 20 30 FEEDRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@H]1COc2cc(OC)ccc2C1 ZINC000328973210 553856119 /nfs/dbraw/zinc/85/61/19/553856119.db2.gz ANKFDYZXMUXCIV-BRWVUGGUSA-N 1 0 359.470 2.471 20 30 FEEDRO CO[C@@H]1C[C@@H](CO)N(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)C1 ZINC000328974479 553856799 /nfs/dbraw/zinc/85/67/99/553856799.db2.gz PQGWDCZZBABJRE-DLBZAZTESA-N 1 0 353.507 2.171 20 30 FEEDRO CO[C@@H]1CCC[C@@H]1[C@@H]1COCCN1C(=O)NCC1([NH+](C)C)CCCC1 ZINC000328984329 553858443 /nfs/dbraw/zinc/85/84/43/553858443.db2.gz SUVQZCYMHYWBBH-IXDOHACOSA-N 1 0 353.507 2.291 20 30 FEEDRO C[C@@H]1C[C@@H](NC(=O)[C@@H]2[C@@H](C)OCC(=O)N2Cc2ccccc2)CC[N@@H+]1C ZINC000328992364 553860299 /nfs/dbraw/zinc/86/02/99/553860299.db2.gz DMFXRKWTHDJCGE-RRIFGTCXSA-N 1 0 359.470 2.242 20 30 FEEDRO Cc1noc([C@H]2CCN([C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)C2)n1 ZINC000329014293 553864331 /nfs/dbraw/zinc/86/43/31/553864331.db2.gz FSYQEHWQRNHOFM-DOTOQJQBSA-N 1 0 351.410 2.235 20 30 FEEDRO COC[C@@H]1C[C@@H](OC)CN1C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000329051642 553872064 /nfs/dbraw/zinc/87/20/64/553872064.db2.gz KZOHGMABZNFYHC-ZWKOTPCHSA-N 1 0 353.507 2.433 20 30 FEEDRO CNC(=O)[C@@H]1CN(CC(=O)NC2CC[NH+](C3CC3)CC2)c2ccccc2O1 ZINC000329098140 553880201 /nfs/dbraw/zinc/88/02/01/553880201.db2.gz LVFYEWJACSBLQZ-SFHVURJKSA-N 1 0 372.469 2.424 20 30 FEEDRO C[C@@H]1C[C@@H](NC(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)CCO1 ZINC000329104717 553880818 /nfs/dbraw/zinc/88/08/18/553880818.db2.gz OEILPAMOMHHAIR-QAPCUYQASA-N 1 0 361.486 2.214 20 30 FEEDRO CC(C)N1C(=O)N[C@@H]2CN(C(=O)NC[C@H]3CCC[N@@H+](C(C)C)C3)CC[C@@H]21 ZINC000329138238 553887389 /nfs/dbraw/zinc/88/73/89/553887389.db2.gz RVOVGUSEYBAWSB-ZACQAIPSSA-N 1 0 365.522 2.102 20 30 FEEDRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@H]2CCO[C@@H]2c2nccn2C)C1 ZINC000329150922 553889776 /nfs/dbraw/zinc/88/97/76/553889776.db2.gz ZUNYJLVVBZADOC-JYJNAYRXSA-N 1 0 363.506 2.264 20 30 FEEDRO Cc1ccc(C)c(OCC(=O)NC2CC[NH+]([C@@H]3CCN(C)C3=O)CC2)c1 ZINC000329154623 553890789 /nfs/dbraw/zinc/89/07/89/553890789.db2.gz CARUMOCSQJUMON-QGZVFWFLSA-N 1 0 359.470 2.334 20 30 FEEDRO CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)C1 ZINC000329169758 553894706 /nfs/dbraw/zinc/89/47/06/553894706.db2.gz JHXGHZCEQUXGIN-NNPSNHGLSA-N 1 0 363.502 2.043 20 30 FEEDRO CC1CC[NH+](C[C@H]2CCCN(C(=O)NCc3nnc4n3CCC4)C2)CC1 ZINC000329189337 553898978 /nfs/dbraw/zinc/89/89/78/553898978.db2.gz PQTQACCWVYPZGC-MRXNPFEDSA-N 1 0 360.506 2.082 20 30 FEEDRO CCC[C@@H]1C[C@H](C(=O)NC2CC[NH+]([C@@H]3CCN(C)C3=O)CC2)CCO1 ZINC000329193141 553899192 /nfs/dbraw/zinc/89/91/92/553899192.db2.gz SIRLWAFRYDOPIA-DJIMGWMZSA-N 1 0 351.491 2.233 20 30 FEEDRO CC[C@H](OC1CCCC1)C(=O)NC1CC[NH+]([C@H]2CCN(C)C2=O)CC1 ZINC000329195288 553900046 /nfs/dbraw/zinc/90/00/46/553900046.db2.gz UCTBERGGKNDTLA-IRXDYDNUSA-N 1 0 351.491 2.376 20 30 FEEDRO C[C@@H]1C[C@@H](N2CCOCC2)CN1CC(=O)NC(=O)N[C@H]1CCCC[C@H]1C ZINC000329197661 553900665 /nfs/dbraw/zinc/90/06/65/553900665.db2.gz VKLYMVWQEDIKFW-VQHPVUNQSA-N 1 0 366.506 2.231 20 30 FEEDRO Cc1ccc(OCC(=O)NC2CC[NH+]([C@@H]3CCN(C)C3=O)CC2)c(C)c1 ZINC000329202058 553901348 /nfs/dbraw/zinc/90/13/48/553901348.db2.gz WWDPBYJTVUBDGO-QGZVFWFLSA-N 1 0 359.470 2.334 20 30 FEEDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000329230594 553906931 /nfs/dbraw/zinc/90/69/31/553906931.db2.gz 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C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCOC[C@@H]2[C@@H]2CCCO2)C1 ZINC000329278802 553916336 /nfs/dbraw/zinc/91/63/36/553916336.db2.gz MEQMMOGDPSOLQQ-ZACQAIPSSA-N 1 0 353.507 2.291 20 30 FEEDRO CCc1nc2n(n1)C[C@@H]([NH+]=C([O-])N1CCC([NH+]3CCCCC3)CC1)CC2 ZINC000329310240 553922888 /nfs/dbraw/zinc/92/28/88/553922888.db2.gz QTERMZWMLMLBKY-HNNXBMFYSA-N 1 0 360.506 2.020 20 30 FEEDRO Cc1nc([C@H]2CN(C(=O)NCC3([NH+](C)C)CCCCCC3)CCO2)no1 ZINC000329354517 553930461 /nfs/dbraw/zinc/93/04/61/553930461.db2.gz VKQZDTUXQQYILU-OAHLLOKOSA-N 1 0 365.478 2.320 20 30 FEEDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)N[C@H]1CC(=O)N(C2CCCCC2)C1 ZINC000329366702 553933162 /nfs/dbraw/zinc/93/31/62/553933162.db2.gz GZZGXMXACSQHMB-RYRKJORJSA-N 1 0 362.518 2.393 20 30 FEEDRO N#CC1(F)CCN(C(=O)C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)CC1 ZINC000506601771 561703507 /nfs/dbraw/zinc/70/35/07/561703507.db2.gz GIQCDCBBXIXUOI-UHFFFAOYSA-N 1 0 372.444 2.118 20 30 FEEDRO C[C@@H](CNC(=O)N1CCC[C@H]2C(=O)NC[C@H]21)[N@@H+]1CCc2ccccc2C1 ZINC000329428172 553945387 /nfs/dbraw/zinc/94/53/87/553945387.db2.gz GYMQOOCFDGDUDX-BMGDILEWSA-N 1 0 356.470 2.398 20 30 FEEDRO O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)N1CCCC[C@@H]1c1cc[nH]n1 ZINC000329444475 553948492 /nfs/dbraw/zinc/94/84/92/553948492.db2.gz NOAXWBSYOYVXLN-MAUKXSAKSA-N 1 0 361.490 2.352 20 30 FEEDRO C[NH+](C)[C@]1(CNC(=O)N2CCC[C@](O)(C(F)(F)F)CC2)CCSC1 ZINC000329463852 553951313 /nfs/dbraw/zinc/95/13/13/553951313.db2.gz UQEZMGJGYCCLIS-UONOGXRCSA-N 1 0 369.453 2.117 20 30 FEEDRO N#Cc1ccc(N2CCC[C@H]([N@@H+]3CCC[C@H](c4nnc[nH]4)C3)C2=O)cc1 ZINC000329468901 553952324 /nfs/dbraw/zinc/95/23/24/553952324.db2.gz XRJFOKSYGYOBDV-RDJZCZTQSA-N 1 0 350.426 2.051 20 30 FEEDRO CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)N[C@H](C)C1=CC[N@H+](C)CC1 ZINC000329479511 553954621 /nfs/dbraw/zinc/95/46/21/553954621.db2.gz CRIZLINEWKOQBH-GDBMZVCRSA-N 1 0 357.520 2.188 20 30 FEEDRO COc1ccc(NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1N1CCCC1=O ZINC000329489575 553956556 /nfs/dbraw/zinc/95/65/56/553956556.db2.gz UVXXHQMRHITWRH-OAHLLOKOSA-N 1 0 358.442 2.148 20 30 FEEDRO Cc1noc([C@@H]2CC[C@H](CNC(=O)N3CC[C@H]([NH+]4CCCC4)[C@H]3C)O2)n1 ZINC000329524865 553962176 /nfs/dbraw/zinc/96/21/76/553962176.db2.gz SJBAVNFFXALZEB-OJLVUWQFSA-N 1 0 363.462 2.071 20 30 FEEDRO Cc1cc(N2CCC[C@H](NC(=O)N3C[C@H]([NH+]4CCCC4)C[C@H]3C)C2)n(C)n1 ZINC000329534392 553963283 /nfs/dbraw/zinc/96/32/83/553963283.db2.gz YRGXBKMGDXRCGK-FGTMMUONSA-N 1 0 374.533 2.170 20 30 FEEDRO CC(C)CNC(=O)N1CCC[C@H](C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)C1 ZINC000329569211 553968755 /nfs/dbraw/zinc/96/87/55/553968755.db2.gz LVZFJDHBTZEWIW-ROUUACIJSA-N 1 0 364.534 2.355 20 30 FEEDRO CC[C@@H](C)[NH2+][C@H](CNC(=O)C(=O)Nc1ccc(C#N)cc1)c1ccco1 ZINC000506950398 561712416 /nfs/dbraw/zinc/71/24/16/561712416.db2.gz KXSFMHVIFCWRDT-CZUORRHYSA-N 1 0 354.410 2.335 20 30 FEEDRO C[C@@H]1[C@H](C)[S@@](=O)CCN1C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000329660828 553983998 /nfs/dbraw/zinc/98/39/98/553983998.db2.gz IJYGVCHSGLGHNB-IYPVNNRCSA-N 1 0 373.588 2.103 20 30 FEEDRO CN1CN(C(=O)NC[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CC1=O ZINC000329756348 554000648 /nfs/dbraw/zinc/00/06/48/554000648.db2.gz YPAZIFAAQNJPPW-BLLLJJGKSA-N 1 0 368.840 2.117 20 30 FEEDRO CC[C@H](O)CN1CCN(C(=O)N[C@H]2CCOC3(CCCCC3)C2)CC1 ZINC000329765249 554001796 /nfs/dbraw/zinc/00/17/96/554001796.db2.gz WTSXDEJRSBRJTA-IRXDYDNUSA-N 1 0 353.507 2.171 20 30 FEEDRO C[C@@H]1CN(C(C)(C)CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C[C@@H](C)O1 ZINC000329778133 554004030 /nfs/dbraw/zinc/00/40/30/554004030.db2.gz PTFTVKOQKZYWHZ-VUCRHFMTSA-N 1 0 366.550 2.393 20 30 FEEDRO CN1CC[C@H]([NH2+]CC(=O)NC(=O)NC2CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000329797502 554007282 /nfs/dbraw/zinc/00/72/82/554007282.db2.gz XFHGORPVYXGGQV-HOCLYGCPSA-N 1 0 352.385 2.333 20 30 FEEDRO CCC1(CC)CN(C(=O)NC2CC[NH+](C(C)(C)C)CC2)CCS1(=O)=O ZINC000329807930 554009748 /nfs/dbraw/zinc/00/97/48/554009748.db2.gz LUSBDSCYMZYIFP-UHFFFAOYSA-N 1 0 373.563 2.453 20 30 FEEDRO CC(C)N1C[C@H](NC(=O)CC[NH+]2CCN(c3ccccc3)CC2)CC1=O ZINC000329852822 554018961 /nfs/dbraw/zinc/01/89/61/554018961.db2.gz VATKWCSTVWAACM-QGZVFWFLSA-N 1 0 358.486 2.165 20 30 FEEDRO CCCN1CCCN(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1=O ZINC000329913251 554030392 /nfs/dbraw/zinc/03/03/92/554030392.db2.gz OOSNYQQJSSRKKW-GOSISDBHSA-N 1 0 358.486 2.119 20 30 FEEDRO CC(C)NC(=O)N1CCC[C@H]1C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000329926981 554032895 /nfs/dbraw/zinc/03/28/95/554032895.db2.gz WRAXRQMCCWFVAS-KRWDZBQOSA-N 1 0 350.507 2.250 20 30 FEEDRO CN1CCO[C@H]2C[N@H+](CCC(=O)Nc3sc4c(c3C#N)CCCC4)C[C@@H]21 ZINC000329927405 554033663 /nfs/dbraw/zinc/03/36/63/554033663.db2.gz LNXAYIMVPAYOAJ-HOTGVXAUSA-N 1 0 374.510 2.491 20 30 FEEDRO C[C@H](NC(=O)N1CCO[C@]2(CCO[C@@H]2C)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000329955338 554038435 /nfs/dbraw/zinc/03/84/35/554038435.db2.gz OYFLPRACWURQCS-TVKQPGBESA-N 1 0 365.518 2.433 20 30 FEEDRO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)Nc1cccc(CC(=O)N2CCN(C)CC2)c1 ZINC000329992965 554045784 /nfs/dbraw/zinc/04/57/84/554045784.db2.gz YBAOEFLFHAPODG-CALCHBBNSA-N 1 0 372.513 2.464 20 30 FEEDRO CCN1CCN(C(=O)NC2CCC(C[NH+](C)C)CC2)C[C@H]1c1ncc[nH]1 ZINC000330000971 554047326 /nfs/dbraw/zinc/04/73/26/554047326.db2.gz XIXYEFPYWKKMBU-JCYILVPMSA-N 1 0 362.522 2.123 20 30 FEEDRO CCN(C(=O)N[C@@H]1CCN(C(C)=O)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000330007665 554048367 /nfs/dbraw/zinc/04/83/67/554048367.db2.gz DTSXMVSZPBIOOH-MOPGFXCFSA-N 1 0 358.486 2.118 20 30 FEEDRO Cc1cnn([C@@H]2CCCN(C(=O)NC[C@]3([NH+](C)C)CCSC3)C2)c1 ZINC000330065441 554057958 /nfs/dbraw/zinc/05/79/58/554057958.db2.gz DADQSIDEUWENEF-NVXWUHKLSA-N 1 0 351.520 2.180 20 30 FEEDRO O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1cn([C@H]2CCOC2)nn1 ZINC000330073091 554059432 /nfs/dbraw/zinc/05/94/32/554059432.db2.gz ZOFFZAZIZZCOCL-SJORKVTESA-N 1 0 355.442 2.209 20 30 FEEDRO O=C(NC[C@@H]1CCC2(CCCCC2)O1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000330080926 554060958 /nfs/dbraw/zinc/06/09/58/554060958.db2.gz GPOYGIQXCQJGIM-MSOLQXFVSA-N 1 0 365.518 2.436 20 30 FEEDRO O=C(NC1CC[NH+](CC2CCCC2)CC1)N1CC[C@@H](N2CCCC2=O)C1 ZINC000330103752 554065025 /nfs/dbraw/zinc/06/50/25/554065025.db2.gz ITYJXVDFTVOOEX-GOSISDBHSA-N 1 0 362.518 2.252 20 30 FEEDRO CCC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C)CC[N@@H+]1CCOC ZINC000507810763 561741529 /nfs/dbraw/zinc/74/15/29/561741529.db2.gz VLTIHNWCOSEHNY-GOSISDBHSA-N 1 0 368.485 2.291 20 30 FEEDRO CC(C)c1nc2c(n1C)CCN(C(=O)NC[C@@]1([NH+](C)C)CCSC1)C2 ZINC000330122489 554068330 /nfs/dbraw/zinc/06/83/30/554068330.db2.gz BWHZNMVGLYBFJR-SFHVURJKSA-N 1 0 365.547 2.253 20 30 FEEDRO CC(C)N(C)c1cnn([C@@H]2CCCN([C@H](C)C(=O)NC3CC3)C2)c(=O)c1 ZINC000330176524 554078940 /nfs/dbraw/zinc/07/89/40/554078940.db2.gz KAAOAYHQWXGTTI-GDBMZVCRSA-N 1 0 361.490 2.232 20 30 FEEDRO C[C@H]1C[C@@H](O)CCN1C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000330179946 554079714 /nfs/dbraw/zinc/07/97/14/554079714.db2.gz MYFWMCOLKBWVTI-HOTGVXAUSA-N 1 0 355.548 2.497 20 30 FEEDRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CCOC[C@@H](C3CCC3)C2)C1 ZINC000330189080 554081396 /nfs/dbraw/zinc/08/13/96/554081396.db2.gz UWXSSPZMPNBGFG-ZWKOTPCHSA-N 1 0 353.507 2.006 20 30 FEEDRO O=C(Nc1cccc(C(=O)N2CCC(O)CC2)c1)[C@H]1CCCN1C1CC1 ZINC000330209838 554085630 /nfs/dbraw/zinc/08/56/30/554085630.db2.gz BZNMBVCUJZTHAW-GOSISDBHSA-N 1 0 357.454 2.498 20 30 FEEDRO CC(C)N1C[C@H](NC(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)CC1=O ZINC000330224877 554088555 /nfs/dbraw/zinc/08/85/55/554088555.db2.gz AVSGEBLGWCXHLY-ZWKOTPCHSA-N 1 0 364.534 2.498 20 30 FEEDRO Cc1nc(CCNC(=O)N2CC[N@H+](C3CCOCC3)C[C@@H]2C)cs1 ZINC000330258664 554094430 /nfs/dbraw/zinc/09/44/30/554094430.db2.gz MRQBGSUQQFNTKW-ZDUSSCGKSA-N 1 0 352.504 2.093 20 30 FEEDRO CCO[C@@H]1C[C@@H](NC(=O)N2CC[N@@H+](C3CCOCC3)C[C@H]2C)C12CCC2 ZINC000330269635 554096305 /nfs/dbraw/zinc/09/63/05/554096305.db2.gz SDMIDUKPBCNWJI-KBAYOESNSA-N 1 0 365.518 2.433 20 30 FEEDRO CNC(=O)C1CCC(NC(=O)N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)CC1 ZINC000330270137 554096745 /nfs/dbraw/zinc/09/67/45/554096745.db2.gz SXOIQZGSZQQERD-FHERZECASA-N 1 0 366.506 2.231 20 30 FEEDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000330272568 554097305 /nfs/dbraw/zinc/09/73/05/554097305.db2.gz XSLLWWGGBYJVJL-OWLYRPNTSA-N 1 0 351.491 2.043 20 30 FEEDRO O=C(NC1CCN(c2cccnn2)CC1)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000330279573 554098329 /nfs/dbraw/zinc/09/83/29/554098329.db2.gz RGRBLAJRLMCHGE-KRWDZBQOSA-N 1 0 359.474 2.045 20 30 FEEDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N[C@@H]1CCO[C@H](c2cncn2C)C1 ZINC000330317621 554104205 /nfs/dbraw/zinc/10/42/05/554104205.db2.gz BUPBSDIFUVARBI-HPFXQQBRSA-N 1 0 363.506 2.264 20 30 FEEDRO Cc1nnc([C@H](C)NC(=O)N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)s1 ZINC000330324236 554105358 /nfs/dbraw/zinc/10/53/58/554105358.db2.gz UAPOWZBHJQINSA-RYUDHWBXSA-N 1 0 353.492 2.007 20 30 FEEDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)CNC(=O)C1CCCCC1 ZINC000330330835 554106557 /nfs/dbraw/zinc/10/65/57/554106557.db2.gz XETJSPATIHPEFR-HNNXBMFYSA-N 1 0 351.491 2.235 20 30 FEEDRO Cc1csc([C@@H]2COCCN2CC(=O)NC2CC[NH+](C3CC3)CC2)n1 ZINC000330350623 554110156 /nfs/dbraw/zinc/11/01/56/554110156.db2.gz LHWMRVBSYXQTAF-INIZCTEOSA-N 1 0 364.515 2.408 20 30 FEEDRO Cc1nc(C)n(C[C@@H]2CCC[N@@H+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)C2)n1 ZINC000330659738 554151958 /nfs/dbraw/zinc/15/19/58/554151958.db2.gz ROKAAHADCVGOJA-POZUXBRTSA-N 1 0 360.506 2.050 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@H]2CSCN2C(=O)[C@H](C)CC)CC1 ZINC000330663623 554153318 /nfs/dbraw/zinc/15/33/18/554153318.db2.gz VFZPDQMCZWYOEB-GDBMZVCRSA-N 1 0 353.532 2.091 20 30 FEEDRO C[NH+](C)CC[C@H](NC(=O)N1CCC[C@@H]1[C@@H]1COCC[C@H]1O)C(C)(C)C ZINC000330799475 554172918 /nfs/dbraw/zinc/17/29/18/554172918.db2.gz IJMYPZAJLPUWLA-HZMVEIRTSA-N 1 0 355.523 2.129 20 30 FEEDRO Cc1ccc(C(=O)NC[C@]2([NH+](C)C)CCSC2)cc1NS(C)(=O)=O ZINC000331094732 554211775 /nfs/dbraw/zinc/21/17/75/554211775.db2.gz KOPMXPFISNHFAB-MRXNPFEDSA-N 1 0 371.528 2.108 20 30 FEEDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2cc(OC(F)F)n(C)n2)C1 ZINC000331177328 554226254 /nfs/dbraw/zinc/22/62/54/554226254.db2.gz KLMLOELSZGGFIW-LLVKDONJSA-N 1 0 359.421 2.858 20 30 FEEDRO CC[NH+](CC)CC1CCN(S(=O)(=O)c2cnc(C)c(C#N)c2)CC1 ZINC000331177731 554226564 /nfs/dbraw/zinc/22/65/64/554226564.db2.gz WCCBDSVSANHABS-UHFFFAOYSA-N 1 0 350.488 2.004 20 30 FEEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)N1CC[N@@H+](C[C@H](C)O)C[C@@H]1C ZINC000331202957 554230197 /nfs/dbraw/zinc/23/01/97/554230197.db2.gz XTNPMFIJRDGYGZ-GJZGRUSLSA-N 1 0 360.458 2.278 20 30 FEEDRO CO[C@H](C)c1nc(CNC(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)cs1 ZINC000331222207 554233006 /nfs/dbraw/zinc/23/30/06/554233006.db2.gz KLCIFIUOZMQHIY-QWHCGFSZSA-N 1 0 370.519 2.042 20 30 FEEDRO C[N@@H+]1CCN(CCNC(=O)Nc2cc(C(F)(F)F)ccn2)CC1(C)C ZINC000331267622 554238724 /nfs/dbraw/zinc/23/87/24/554238724.db2.gz JQJXJKZGKVMPMG-UHFFFAOYSA-N 1 0 359.396 2.452 20 30 FEEDRO C=CCn1c(CCc2ccco2)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000508808461 561773482 /nfs/dbraw/zinc/77/34/82/561773482.db2.gz HDVNAEKKANPSQB-QGZVFWFLSA-N 1 0 371.485 2.001 20 30 FEEDRO CC1CCC([NH+]2CCN(CC(=O)NCc3cccc(C#N)c3)CC2)CC1 ZINC000331379736 554254179 /nfs/dbraw/zinc/25/41/79/554254179.db2.gz FZDMBVNLAMVCGW-UHFFFAOYSA-N 1 0 354.498 2.371 20 30 FEEDRO CC[NH+](CC)[C@@H]1CCN(C(=O)[C@@H]2CCCN(c3nc(C)ccc3C#N)C2)C1 ZINC000331516794 554278575 /nfs/dbraw/zinc/27/85/75/554278575.db2.gz DLYVNKRSALGPEV-RTBURBONSA-N 1 0 369.513 2.421 20 30 FEEDRO Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N[C@H]3C[N@H+](C(C)C)C[C@H]3C)C2)n1 ZINC000331582392 554288805 /nfs/dbraw/zinc/28/88/05/554288805.db2.gz JFMZRHKKIAQTFV-MNEFBYGVSA-N 1 0 369.513 2.323 20 30 FEEDRO Cc1onc(CC(=O)N2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1C#N ZINC000331643867 554301109 /nfs/dbraw/zinc/30/11/09/554301109.db2.gz PVEGAEDTNDCROD-GASCZTMLSA-N 1 0 374.485 2.135 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNS(=O)(=O)c1cccc2c1OCO2)C(C)C ZINC000509235043 561791409 /nfs/dbraw/zinc/79/14/09/561791409.db2.gz DYOJONKGVFIQMD-HNNXBMFYSA-N 1 0 366.483 2.392 20 30 FEEDRO Cc1ccccc1[C@H]([C@@H](C)NS(=O)(=O)N(C)[C@H](C)CC#N)[NH+](C)C ZINC000509252469 561792257 /nfs/dbraw/zinc/79/22/57/561792257.db2.gz CLCLPBJOCSMEJB-INMHGKMJSA-N 1 0 352.504 2.055 20 30 FEEDRO C=CCc1cc(C[NH2+]CCc2nnnn2-c2ccccc2)cc(OC)c1O ZINC000509437147 561799841 /nfs/dbraw/zinc/79/98/41/561799841.db2.gz GFMIJZULWZOJPY-UHFFFAOYSA-N 1 0 365.437 2.437 20 30 FEEDRO CC(C)(C)c1csc(NC(=O)C(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)c1C#N ZINC000332107026 554381306 /nfs/dbraw/zinc/38/13/06/554381306.db2.gz SAVZPFXPPZRCCS-SMDDNHRTSA-N 1 0 360.483 2.066 20 30 FEEDRO CCN(CC[NH+]1CCCCCC1)C(=O)C(=O)Nc1ccc(C#N)cc1F ZINC000509828016 561815524 /nfs/dbraw/zinc/81/55/24/561815524.db2.gz XDFSLVMUQFFIPH-UHFFFAOYSA-N 1 0 360.433 2.360 20 30 FEEDRO C[C@@H]1CN([C@H](C(N)=O)c2ccc(C#N)cc2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000332394143 554438385 /nfs/dbraw/zinc/43/83/85/554438385.db2.gz NOSNSPKXXFXJLT-MNEFBYGVSA-N 1 0 355.486 2.092 20 30 FEEDRO C[NH+](C)C[C@H](NC(=O)C(=O)Nc1ccc(F)cc1C#N)c1ccc(F)cc1 ZINC000510016436 561822196 /nfs/dbraw/zinc/82/21/96/561822196.db2.gz GOWFONBTHPKCLD-KRWDZBQOSA-N 1 0 372.375 2.194 20 30 FEEDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)Nc3cc(C#N)ccc3Cl)CC[C@@H]21 ZINC000332521463 554461429 /nfs/dbraw/zinc/46/14/29/554461429.db2.gz ZHIQCFYRVCGSCF-CJNGLKHVSA-N 1 0 360.845 2.093 20 30 FEEDRO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000332537416 554466480 /nfs/dbraw/zinc/46/64/80/554466480.db2.gz JMTSCKJMQDYKKT-XJKSGUPXSA-N 1 0 361.877 2.184 20 30 FEEDRO COc1ccc([C@H](CNC(=O)N=c2[nH]n(C)cc2C#N)[NH+]2CCCC2)cc1 ZINC000610562098 554528988 /nfs/dbraw/zinc/52/89/88/554528988.db2.gz WYHSGIVHRXEELX-KRWDZBQOSA-N 1 0 368.441 2.259 20 30 FEEDRO CN(C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1)C(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000333447669 554614162 /nfs/dbraw/zinc/61/41/62/554614162.db2.gz XVGYUSYEONTDSJ-CWLKWCNXSA-N 1 0 358.490 2.137 20 30 FEEDRO N#Cc1ccc(N2CC[C@@H]([N@@H+]3CCC[C@@H](N4CCCC4=O)CC3)C2=O)cc1 ZINC000333684435 554633105 /nfs/dbraw/zinc/63/31/05/554633105.db2.gz AFOIEYGELUDCQG-IEBWSBKVSA-N 1 0 366.465 2.140 20 30 FEEDRO N#Cc1ccc(N2CC[C@@H]([N@@H+]3CCC[C@H](N4CCCC4=O)CC3)C2=O)cc1 ZINC000333684438 554633115 /nfs/dbraw/zinc/63/31/15/554633115.db2.gz AFOIEYGELUDCQG-PKOBYXMFSA-N 1 0 366.465 2.140 20 30 FEEDRO N#Cc1cccc(OC2CCN(C(=O)N[C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)CC2)c1 ZINC000333924874 554656845 /nfs/dbraw/zinc/65/68/45/554656845.db2.gz TZXIFDCIEKYDIW-KZNAEPCWSA-N 1 0 368.481 2.499 20 30 FEEDRO C=CCOC[C@@H]1NC(=O)N([C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1=O ZINC000348512040 554687477 /nfs/dbraw/zinc/68/74/77/554687477.db2.gz NDDHHQMYUGPATG-NJAFHUGGSA-N 1 0 357.454 2.163 20 30 FEEDRO Cc1ccc([C@H](CN2CCOCC2)[NH2+]CC(=O)N[C@@](C)(C#N)C(C)C)cc1 ZINC000511126153 561858232 /nfs/dbraw/zinc/85/82/32/561858232.db2.gz XOPUGEVOFZXICV-FPOVZHCZSA-N 1 0 372.513 2.012 20 30 FEEDRO COCCN(CCC#N)C(=O)c1cccc(CNc2ccnc(C)n2)c1 ZINC000612539151 554801818 /nfs/dbraw/zinc/80/18/18/554801818.db2.gz VGPOCIAISUYZHU-UHFFFAOYSA-N 1 0 353.426 2.399 20 30 FEEDRO N#Cc1cccc(OCCCCC(=O)NC[C@@H]2CN3CCCC[C@H]3CO2)c1 ZINC000360721912 554886849 /nfs/dbraw/zinc/88/68/49/554886849.db2.gz RNHWOROMNFEXEW-AZUAARDMSA-N 1 0 371.481 2.477 20 30 FEEDRO C=C(Cl)C[NH2+]C1CCN(S(=O)(=O)c2ccc(NC(C)=O)cc2)CC1 ZINC000361101955 554904166 /nfs/dbraw/zinc/90/41/66/554904166.db2.gz DANKNCGNMMTJHQ-UHFFFAOYSA-N 1 0 371.890 2.140 20 30 FEEDRO N#CCCN(C(=O)CN1CCC[N@@H+](C2CCOCC2)CC1)c1ccccc1 ZINC000361461189 554921423 /nfs/dbraw/zinc/92/14/23/554921423.db2.gz HJLSRDPOZIMWSF-UHFFFAOYSA-N 1 0 370.497 2.120 20 30 FEEDRO Cn1cc([C@@H]2[C@H](CNC(=O)c3ccc(CC#N)cc3)CCC[N@@H+]2C)cn1 ZINC000362167618 554953959 /nfs/dbraw/zinc/95/39/59/554953959.db2.gz WEPKHVNBACXNHX-HKUYNNGSSA-N 1 0 351.454 2.299 20 30 FEEDRO COCC[N@@H+]1CC[C@@H](NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)C1 ZINC000362432437 554971783 /nfs/dbraw/zinc/97/17/83/554971783.db2.gz WZCZPZCXABOHQH-LJQANCHMSA-N 1 0 354.454 2.078 20 30 FEEDRO N#Cc1ccc(-c2nnc(CN3CCC[C@@H]3C[N@H+]3CCC[C@H]3CO)o2)cc1 ZINC000362814563 554990610 /nfs/dbraw/zinc/99/06/10/554990610.db2.gz OFXHGBDXJJTHNU-MSOLQXFVSA-N 1 0 367.453 2.029 20 30 FEEDRO C#Cc1cccc(NC(=O)CNC(=O)[C@H]2CCCN(c3ccccn3)C2)c1 ZINC000363004795 555007936 /nfs/dbraw/zinc/00/79/36/555007936.db2.gz KFAZLTBNAAYKSG-KRWDZBQOSA-N 1 0 362.433 2.034 20 30 FEEDRO C=CCNC(=O)NC(=O)C[N@H+](C)CCCc1cc(-c2ccccc2)no1 ZINC000363206448 555053432 /nfs/dbraw/zinc/05/34/32/555053432.db2.gz JTMQFWCOEADBSP-UHFFFAOYSA-N 1 0 356.426 2.218 20 30 FEEDRO CC[NH+](CC)[C@H]1CCN(C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C1 ZINC000363283678 555070829 /nfs/dbraw/zinc/07/08/29/555070829.db2.gz YOHADYIYKYKOOR-SFHVURJKSA-N 1 0 370.501 2.048 20 30 FEEDRO CCN(C[C@H](C)C#N)C(=O)c1nnn(-c2cccc3c2CC[N@H+](C)C3)c1C ZINC000363397913 555095338 /nfs/dbraw/zinc/09/53/38/555095338.db2.gz YYZBTFZDIAMMBR-CQSZACIVSA-N 1 0 366.469 2.185 20 30 FEEDRO CN(CC(=O)Nc1cccc(C#N)c1)C1CC[NH+](C2CCOCC2)CC1 ZINC000363452255 555109381 /nfs/dbraw/zinc/10/93/81/555109381.db2.gz DGULREUBCNAEMF-UHFFFAOYSA-N 1 0 356.470 2.072 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000511966839 561887212 /nfs/dbraw/zinc/88/72/12/561887212.db2.gz DEQGIOJXXDKDNT-UHFFFAOYSA-N 1 0 361.511 2.396 20 30 FEEDRO N#CCOc1ccc(CNC(=O)c2cnn(CC[NH+]3CCCCC3)c2)cc1 ZINC000363551090 555135184 /nfs/dbraw/zinc/13/51/84/555135184.db2.gz KIKKOJZTQQTOFE-UHFFFAOYSA-N 1 0 367.453 2.201 20 30 FEEDRO C=CCS(=O)(=O)CC[NH2+]Cc1cn(C)nc1-c1ccccc1Cl ZINC000363668688 555159785 /nfs/dbraw/zinc/15/97/85/555159785.db2.gz AUAPJDVIRJVNPI-UHFFFAOYSA-N 1 0 353.875 2.431 20 30 FEEDRO N#Cc1ccc([C@@H](O)C[N@@H+]2CCC[C@H](C(=O)Nc3ccccn3)C2)cc1 ZINC000363858152 555200651 /nfs/dbraw/zinc/20/06/51/555200651.db2.gz QYXFNFOIUSSFJY-ROUUACIJSA-N 1 0 350.422 2.337 20 30 FEEDRO COc1cc(/C=C/C(=O)N2CC[C@H](c3nccn3C)C2)ccc1OCC#N ZINC000364059735 555242400 /nfs/dbraw/zinc/24/24/00/555242400.db2.gz SQJUSAQCCJYQCK-NBUZRDOWSA-N 1 0 366.421 2.360 20 30 FEEDRO C=CCN(CC(=O)NC1(C#N)CCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000364143368 555257850 /nfs/dbraw/zinc/25/78/50/555257850.db2.gz FURVHYYAYAWQPI-LJQANCHMSA-N 1 0 352.482 2.311 20 30 FEEDRO CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CCC[N@H+](CC(C)(C)O)CC1 ZINC000364161889 555261168 /nfs/dbraw/zinc/26/11/68/555261168.db2.gz QIFFQUVTAZSWRG-IBGZPJMESA-N 1 0 373.497 2.267 20 30 FEEDRO C[C@H]([NH2+]CCN1CCN(C(=O)C2CCC2)CC1)c1ccc(C#N)cc1F ZINC000512295884 561899029 /nfs/dbraw/zinc/89/90/29/561899029.db2.gz NRAZDAWBMQKURR-HNNXBMFYSA-N 1 0 358.461 2.292 20 30 FEEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)N1CCC[N@@H+]([C@@H](C)CO)CC1 ZINC000364388296 555304101 /nfs/dbraw/zinc/30/41/01/555304101.db2.gz RWNZPZNZXNZOMD-HNNXBMFYSA-N 1 0 360.458 2.266 20 30 FEEDRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000364597758 555348729 /nfs/dbraw/zinc/34/87/29/555348729.db2.gz GHZNRSJYCQQUCR-INIZCTEOSA-N 1 0 367.497 2.236 20 30 FEEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH2+][C@@H]1CCO[C@H]1C1CC1 ZINC000364615723 555354010 /nfs/dbraw/zinc/35/40/10/555354010.db2.gz GOXLVBCBXZHXTB-GMBSWORKSA-N 1 0 357.454 2.487 20 30 FEEDRO C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CCCC12CC[NH+](C)CC2 ZINC000364772662 555398909 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CCCCCCCCOCC(=O)N1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000365537127 555602667 /nfs/dbraw/zinc/60/26/67/555602667.db2.gz PBNXHKDSJDSLLM-GOSISDBHSA-N 1 0 367.534 2.304 20 30 FEEDRO C[N@@H+]1C[C@@H]2CN(C(=O)C(=O)Nc3cccc(C#N)c3)C[C@@H]2[C@H]1c1ccccc1 ZINC000365689740 555641421 /nfs/dbraw/zinc/64/14/21/555641421.db2.gz BQUIMHYZVURWOX-YZGWKJHDSA-N 1 0 374.444 2.258 20 30 FEEDRO C[NH+]1CCC(n2ccc(=NC(=O)NCc3ccc(C#N)cc3F)[nH]2)CC1 ZINC000618790961 555677970 /nfs/dbraw/zinc/67/79/70/555677970.db2.gz RZQTZYSFSCIODN-UHFFFAOYSA-N 1 0 356.405 2.482 20 30 FEEDRO N#CCCN(CCC#N)C(=O)C[N@H+]1CCC[C@@](O)(c2ccccc2)CC1 ZINC000365978092 555716054 /nfs/dbraw/zinc/71/60/54/555716054.db2.gz KZNVWSGIWMSKCE-FQEVSTJZSA-N 1 0 354.454 2.016 20 30 FEEDRO N#Cc1ccc(N2CCC[C@H]([N@H+]3[C@@H]4CCCC[C@H]4C[C@H]3C(N)=O)C2=O)cc1 ZINC000366090816 555748610 /nfs/dbraw/zinc/74/86/10/555748610.db2.gz ZBGMEGCSUNKIBD-NQYYFHDYSA-N 1 0 366.465 2.172 20 30 FEEDRO Cc1ccc(OC[C@@H](O)C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1 ZINC000366378507 555826837 /nfs/dbraw/zinc/82/68/37/555826837.db2.gz OLKIFCKVDHJOGE-HKUYNNGSSA-N 1 0 353.422 2.155 20 30 FEEDRO C=CCOc1cccc(NC(=O)C(=O)NC2CC([NH+]3CCCCC3)C2)c1 ZINC000366614529 555890617 /nfs/dbraw/zinc/89/06/17/555890617.db2.gz DCWWAGQQOIYOOK-UHFFFAOYSA-N 1 0 357.454 2.323 20 30 FEEDRO CC(C)(C)OC(=O)NC[C@H]1CN(CCCC2(C#N)CCOCC2)CCO1 ZINC000366884797 555959678 /nfs/dbraw/zinc/95/96/78/555959678.db2.gz OOWNTUUOTGZOOA-INIZCTEOSA-N 1 0 367.490 2.312 20 30 FEEDRO C=CCN1CC[C@@H]([NH+]2CCC3(C[C@H]3c3nnc4n3CCCCC4)CC2)C1=O ZINC000367181770 556003068 /nfs/dbraw/zinc/00/30/68/556003068.db2.gz SLJAFXCQJHGZSQ-DLBZAZTESA-N 1 0 369.513 2.361 20 30 FEEDRO N#Cc1cc(S(=O)(=O)N2CC[C@@]3(CCC[C@H]3[NH3+])C2)ccc1C(F)(F)F ZINC000367702411 556118850 /nfs/dbraw/zinc/11/88/50/556118850.db2.gz CNDLOYIMRGMWGH-CABCVRRESA-N 1 0 373.400 2.469 20 30 FEEDRO C#CC[C@@]1(C(=O)N[C@H]2CCc3[nH]cnc3C2)CCCN1C(=O)OC(C)(C)C ZINC000367723677 556123691 /nfs/dbraw/zinc/12/36/91/556123691.db2.gz CSDHAKWZYNPAAL-XOBRGWDASA-N 1 0 372.469 2.176 20 30 FEEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000367823194 556147395 /nfs/dbraw/zinc/14/73/95/556147395.db2.gz CWMASHXMKVUVBH-YJBOKZPZSA-N 1 0 357.502 2.431 20 30 FEEDRO C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000367851578 556154953 /nfs/dbraw/zinc/15/49/53/556154953.db2.gz AXODCLSYKJGIQZ-LSDHHAIUSA-N 1 0 370.453 2.049 20 30 FEEDRO C[N@@H+]1C[C@@H]2CN(S(=O)(=O)c3ccc(C#N)o3)C[C@@H]2[C@@H]1c1ccccc1 ZINC000368619105 556364620 /nfs/dbraw/zinc/36/46/20/556364620.db2.gz NNRQKHMNLLMFOL-HFTRVMKXSA-N 1 0 357.435 2.075 20 30 FEEDRO N#Cc1cccnc1N1CCCN(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000368780715 556411079 /nfs/dbraw/zinc/41/10/79/556411079.db2.gz CITFZTTWCIEPPO-UHFFFAOYSA-N 1 0 370.501 2.051 20 30 FEEDRO CN(C)c1ccnc(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)c1 ZINC000369045512 556487296 /nfs/dbraw/zinc/48/72/96/556487296.db2.gz JBELQXRFRHGXQV-UHFFFAOYSA-N 1 0 363.465 2.436 20 30 FEEDRO CCC[NH+]1CCN(C2CCN(C(=O)c3ccc(/C=N/OC)cc3)CC2)CC1 ZINC000369158875 556521048 /nfs/dbraw/zinc/52/10/48/556521048.db2.gz VIRFTDBGRHNONB-OQKWZONESA-N 1 0 372.513 2.299 20 30 FEEDRO Cc1nn(C)c(C)c1C[C@H](C)[NH2+]C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000516050142 562028852 /nfs/dbraw/zinc/02/88/52/562028852.db2.gz OHPSLHIORUXMMN-KBXCAEBGSA-N 1 0 356.470 2.064 20 30 FEEDRO Cc1nc(CN2CCC[C@@H]([NH2+]Cc3ccc(N(C)CCC#N)cc3)C2)no1 ZINC000369263745 556554355 /nfs/dbraw/zinc/55/43/55/556554355.db2.gz FXAKJRNCRTVRNI-GOSISDBHSA-N 1 0 368.485 2.482 20 30 FEEDRO COC(=O)[C@]12C[N@H+](Cc3ccc(F)c(C#N)c3Cl)C[C@H]1COCC2 ZINC000369540545 556625552 /nfs/dbraw/zinc/62/55/52/556625552.db2.gz JPBQWJKFQQMWTF-YVEFUNNKSA-N 1 0 352.793 2.362 20 30 FEEDRO C=C(C)[C@H]1OCCC[C@H]1C(=O)N1CCN(c2ccc(C[NH+](C)C)cn2)CC1 ZINC000369692350 556669465 /nfs/dbraw/zinc/66/94/65/556669465.db2.gz IVZQTTPAQODXAH-UYAOXDASSA-N 1 0 372.513 2.163 20 30 FEEDRO Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)NCCC[NH+]3CCCC3)C2)n1 ZINC000369936932 556735703 /nfs/dbraw/zinc/73/57/03/556735703.db2.gz NWVNUVGYOUBKKC-GOSISDBHSA-N 1 0 355.486 2.080 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)COc2c(C)cc(C)cc2C)c1C#N ZINC000516555428 562047767 /nfs/dbraw/zinc/04/77/67/562047767.db2.gz ZGPPDFSYVBGJII-UHFFFAOYSA-N 1 0 355.442 2.376 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)[C@H]2CCCCN2C(=O)c2ccccc2)CC1 ZINC000370026288 556761302 /nfs/dbraw/zinc/76/13/02/556761302.db2.gz MCUMQPIPDJRAOQ-HXUWFJFHSA-N 1 0 367.493 2.285 20 30 FEEDRO C[C@H](Oc1ccccc1C#N)C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000516578378 562049052 /nfs/dbraw/zinc/04/90/52/562049052.db2.gz JREDHORYJVNDPV-QANKJYHBSA-N 1 0 353.397 2.418 20 30 FEEDRO C=CCn1c([C@H](C)OCCOC)nnc1N1C[C@@H](C)[N@H+](CC)C[C@H]1C ZINC000516514638 562045666 /nfs/dbraw/zinc/04/56/66/562045666.db2.gz CEXHMYAGACHDMY-OAGGEKHMSA-N 1 0 351.495 2.107 20 30 FEEDRO C[C@H](c1ccc(F)cc1)N(C)C(=O)C[NH+]1CCC(n2cnc(C#N)n2)CC1 ZINC000370123364 556786815 /nfs/dbraw/zinc/78/68/15/556786815.db2.gz RTOHKMWYTIRHLZ-CQSZACIVSA-N 1 0 370.432 2.145 20 30 FEEDRO COc1ccc(S(=O)(=O)N2CCC([NH2+]CC3(CC#N)CC3)CC2)cc1 ZINC000370205055 556810296 /nfs/dbraw/zinc/81/02/96/556810296.db2.gz WTDDRJHWMNYMMQ-UHFFFAOYSA-N 1 0 363.483 2.132 20 30 FEEDRO C[C@H]1CCC[N@H+](CCNC(=O)N2CCC(C#N)(c3ccccn3)CC2)C1 ZINC000370246360 556821123 /nfs/dbraw/zinc/82/11/23/556821123.db2.gz FCUKKKDBCSHNTE-KRWDZBQOSA-N 1 0 355.486 2.380 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(C)c(C(C)=O)c2)CC1 ZINC000516876479 562062285 /nfs/dbraw/zinc/06/22/85/562062285.db2.gz ZAXUFFMPVSDDQP-UHFFFAOYSA-N 1 0 357.454 2.293 20 30 FEEDRO C=CCC[C@@H](O)C[NH+]1CCC(NS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000370504295 556893655 /nfs/dbraw/zinc/89/36/55/556893655.db2.gz GGLDWERJSOJWRF-MRXNPFEDSA-N 1 0 372.918 2.410 20 30 FEEDRO COc1ccc([C@@H]([NH2+]CC(=O)NC2(C#N)CCC2)C2CCOCC2)cc1 ZINC000370516668 556897282 /nfs/dbraw/zinc/89/72/82/556897282.db2.gz DTQONDXYQIAYKD-LJQANCHMSA-N 1 0 357.454 2.315 20 30 FEEDRO CN(C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)c1ncc([N+](=O)[O-])cc1C#N ZINC000370710539 556946187 /nfs/dbraw/zinc/94/61/87/556946187.db2.gz UHSDZIXVVZKLFZ-YOEHRIQHSA-N 1 0 352.398 2.386 20 30 FEEDRO CN(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1CCC[C@@H]1[NH+]1CCOCC1 ZINC000370757724 556959611 /nfs/dbraw/zinc/95/96/11/556959611.db2.gz IKCAMEVGKHUVKE-MOPGFXCFSA-N 1 0 356.470 2.201 20 30 FEEDRO Cc1nnc([C@@H]2CC23CC[NH+](C[C@@H](O)COc2ccc(C#N)cc2)CC3)o1 ZINC000370812448 556975918 /nfs/dbraw/zinc/97/59/18/556975918.db2.gz VVMOWCGRRCSRMQ-AEFFLSMTSA-N 1 0 368.437 2.259 20 30 FEEDRO CN(C(=O)CSc1ccc(C#N)cc1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000370819555 556978445 /nfs/dbraw/zinc/97/84/45/556978445.db2.gz LCILMJXPQIDPGS-SFHVURJKSA-N 1 0 372.538 2.277 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]CC(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000517217274 562079945 /nfs/dbraw/zinc/07/99/45/562079945.db2.gz GIJNGYNCCYDHSG-YXYZJKKLSA-N 1 0 361.486 2.104 20 30 FEEDRO COC(=O)c1ccc(N2CC[NH+](Cc3ccccc3C)CC2)c(C#N)n1 ZINC000517431917 562090232 /nfs/dbraw/zinc/09/02/32/562090232.db2.gz IQQGLNAJNQNWAJ-UHFFFAOYSA-N 1 0 350.422 2.371 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccccc2CS(C)(=O)=O)CC1 ZINC000518056169 562103540 /nfs/dbraw/zinc/10/35/40/562103540.db2.gz STWMUUZSVTYGFC-UHFFFAOYSA-N 1 0 351.472 2.003 20 30 FEEDRO CN(CCC#N)C[C@H](O)C[NH2+]CC1(c2ccc(Cl)cc2)CCOCC1 ZINC000517889276 562099944 /nfs/dbraw/zinc/09/99/44/562099944.db2.gz JXMSVBMADAZIQA-GOSISDBHSA-N 1 0 365.905 2.184 20 30 FEEDRO CC[NH+](CC)CC1CCN(C(=O)C(=O)Nc2ccc(C#N)c(F)c2)CC1 ZINC000518014513 562102567 /nfs/dbraw/zinc/10/25/67/562102567.db2.gz IFNFXYURTWFALS-UHFFFAOYSA-N 1 0 360.433 2.216 20 30 FEEDRO COc1ccc(C[NH2+][C@H]2CCCN(c3ccccc3C(N)=O)C2)cc1C#N ZINC000371799811 557296625 /nfs/dbraw/zinc/29/66/25/557296625.db2.gz UXDNVMCNHGUOPR-KRWDZBQOSA-N 1 0 364.449 2.424 20 30 FEEDRO Cc1ccc(C#N)cc1S(=O)(=O)N1C[C@H](C[NH+](C)C)Oc2ccccc21 ZINC000372018617 557357202 /nfs/dbraw/zinc/35/72/02/557357202.db2.gz XCESCTQRGSUJTO-INIZCTEOSA-N 1 0 371.462 2.385 20 30 FEEDRO N#CCCCOc1cccc(C[NH2+]CCNS(=O)(=O)c2ccccc2)c1 ZINC000518785168 562118434 /nfs/dbraw/zinc/11/84/34/562118434.db2.gz PLOBFSXUARTHQL-UHFFFAOYSA-N 1 0 373.478 2.437 20 30 FEEDRO COc1ccc(C#N)cc1C[NH+]1CCC(C(=O)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000372192535 557405029 /nfs/dbraw/zinc/40/50/29/557405029.db2.gz URQCWDUYIUDSTJ-IYBDPMFKSA-N 1 0 371.481 2.415 20 30 FEEDRO N#Cc1ccsc1NC(=O)CN1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000372272025 557426678 /nfs/dbraw/zinc/42/66/78/557426678.db2.gz FTTQPSJRSJEZQB-GFCCVEGCSA-N 1 0 360.399 2.000 20 30 FEEDRO C=CCN(C(=O)Cn1ccc([N+](=O)[O-])n1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000372600363 557517084 /nfs/dbraw/zinc/51/70/84/557517084.db2.gz MQOGXAXBIYRSQE-KRWDZBQOSA-N 1 0 369.425 2.080 20 30 FEEDRO CC(C)NC(=O)c1cnn2c1C[C@@H](C[NH2+]Cc1cccc(C#N)c1)CC2 ZINC000372617553 557522222 /nfs/dbraw/zinc/52/22/22/557522222.db2.gz ISEOCZRQWVWYCK-KRWDZBQOSA-N 1 0 351.454 2.245 20 30 FEEDRO Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)NC[C@@H](C)C[NH+]3CCCC3)C2)n1 ZINC000372673722 557534053 /nfs/dbraw/zinc/53/40/53/557534053.db2.gz IOYQEQNJSKXZHA-VQIMIIECSA-N 1 0 369.513 2.326 20 30 FEEDRO C[NH2+]C[C@@H]1CCCN(C(=O)NC2CCC(Oc3ncccc3C#N)CC2)C1 ZINC000519591593 562136132 /nfs/dbraw/zinc/13/61/32/562136132.db2.gz BKKUSYGHXLTRPT-ZLPCBKJTSA-N 1 0 371.485 2.284 20 30 FEEDRO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@H+](CCCCC(C)(C)C#N)C1 ZINC000373100244 557628099 /nfs/dbraw/zinc/62/80/99/557628099.db2.gz QWQNTWAESXCZCD-MRXNPFEDSA-N 1 0 359.536 2.079 20 30 FEEDRO CCOC(=O)c1n[nH]c(C2CC[NH+](Cc3ccc(C#N)c(F)c3)CC2)n1 ZINC000373115955 557631827 /nfs/dbraw/zinc/63/18/27/557631827.db2.gz PYJWIASWXWNZGO-UHFFFAOYSA-N 1 0 357.389 2.372 20 30 FEEDRO C[C@@H]1CN(C(=O)c2ccc(C3(C#N)CC3)cc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000373198149 557648257 /nfs/dbraw/zinc/64/82/57/557648257.db2.gz NHMDQDSZAYKNEM-YLJYHZDGSA-N 1 0 366.509 2.340 20 30 FEEDRO N#Cc1ccsc1NC(=O)CC[N@H+]1CC[C@](C(N)=O)(c2ccccc2)C1 ZINC000520189673 562150093 /nfs/dbraw/zinc/15/00/93/562150093.db2.gz NXRLVWRLBDWRJI-LJQANCHMSA-N 1 0 368.462 2.077 20 30 FEEDRO C=CC[N@H+](C[C@H](O)COC(C)(C)C)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000520195996 562150351 /nfs/dbraw/zinc/15/03/51/562150351.db2.gz UBEDMFBUWOPHKA-YJBOKZPZSA-N 1 0 359.474 2.387 20 30 FEEDRO Cc1cccc2nc(C[NH2+]C[C@H](O)COc3ccc(CC#N)cc3)cn21 ZINC000520220133 562150891 /nfs/dbraw/zinc/15/08/91/562150891.db2.gz ROPFNSBTVYOKCB-SFHVURJKSA-N 1 0 350.422 2.238 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+]Cc2ccc(C(F)F)cc2)nc1 ZINC000520220765 562150966 /nfs/dbraw/zinc/15/09/66/562150966.db2.gz OFYFOZSDJSEDSG-UHFFFAOYSA-N 1 0 351.378 2.454 20 30 FEEDRO CC[NH+](CC)C[C@H](C)NC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000520654705 562161141 /nfs/dbraw/zinc/16/11/41/562161141.db2.gz SEUBDEKNMADBTB-KRWDZBQOSA-N 1 0 357.502 2.116 20 30 FEEDRO CN(C(=O)NCC1(CC#N)CC1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000373969587 557798096 /nfs/dbraw/zinc/79/80/96/557798096.db2.gz RFJPUUXBAHQGRO-UHFFFAOYSA-N 1 0 355.486 2.424 20 30 FEEDRO COc1cc(C#N)ccc1OCCCC(=O)N1CC[C@H](c2nccn2C)C1 ZINC000374360404 557871287 /nfs/dbraw/zinc/87/12/87/557871287.db2.gz PHPUZNWGYNWMEK-INIZCTEOSA-N 1 0 368.437 2.475 20 30 FEEDRO Cc1ccc(SCC[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)cc1 ZINC000521109867 562169802 /nfs/dbraw/zinc/16/98/02/562169802.db2.gz OHRBYFLRQJQVEZ-UHFFFAOYSA-N 1 0 361.492 2.417 20 30 FEEDRO C[C@@H](CC#N)N(C)S(=O)(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000374587955 557903238 /nfs/dbraw/zinc/90/32/38/557903238.db2.gz YKVTVWCOLWYRDP-BBWFWOEESA-N 1 0 356.536 2.052 20 30 FEEDRO C[C@@H](CC#N)N(C)S(=O)(=O)N1CC[N@H+](Cc2ccccc2)CC[C@@H]1C ZINC000374592014 557903760 /nfs/dbraw/zinc/90/37/60/557903760.db2.gz IOBDKCWCPJNADM-IRXDYDNUSA-N 1 0 364.515 2.062 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N2CCC[C@](CO)(c3ccccc3)C2)CC1 ZINC000374656820 557912946 /nfs/dbraw/zinc/91/29/46/557912946.db2.gz SYFUIQXMUBPHGI-NRFANRHFSA-N 1 0 357.498 2.373 20 30 FEEDRO Cn1nccc1C1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@H](O)COc1ccc(C#N)cc1 ZINC000374794074 557932430 /nfs/dbraw/zinc/93/24/30/557932430.db2.gz NOGYVDNOZWDALA-IPQPSQTFSA-N 1 0 366.465 2.442 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)CCN2CC[C@@H](O)c3ccccc3C2)cc1 ZINC000374807977 557934566 /nfs/dbraw/zinc/93/45/66/557934566.db2.gz QOWAKXHHIOMUKL-LJQANCHMSA-N 1 0 356.447 2.271 20 30 FEEDRO CCN(C[C@@H](C)C#N)C(=O)CN(C)C1CC[NH+](CCc2ccncc2)CC1 ZINC000375012661 557964245 /nfs/dbraw/zinc/96/42/45/557964245.db2.gz MIYLWAZQZFDEGP-SFHVURJKSA-N 1 0 371.529 2.028 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N2CCCN(c3ccc(F)c(F)c3)CC2)CC1 ZINC000375213573 557992962 /nfs/dbraw/zinc/99/29/62/557992962.db2.gz ZTNIJDUJCXJWOZ-UHFFFAOYSA-N 1 0 361.436 2.349 20 30 FEEDRO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CC[C@H](n3cncn3)C1)CCCC2 ZINC000375319416 558008594 /nfs/dbraw/zinc/00/85/94/558008594.db2.gz ODMYZALREPNBLU-ZDUSSCGKSA-N 1 0 370.482 2.366 20 30 FEEDRO N#Cc1cc(Cl)ccc1CN1CCN(CC[N@@H+]2CCCOCC2)CC1 ZINC000375338346 558011496 /nfs/dbraw/zinc/01/14/96/558011496.db2.gz XRGAGYCHUHAFNO-UHFFFAOYSA-N 1 0 362.905 2.052 20 30 FEEDRO CC(C)(c1ccccc1)c1ccc(OC[C@@H](O)C[NH2+]CC#CCO)cc1 ZINC000521435966 562176448 /nfs/dbraw/zinc/17/64/48/562176448.db2.gz IAZVXBNEOHWAFM-FQEVSTJZSA-N 1 0 353.462 2.338 20 30 FEEDRO N#Cc1ccc(C[NH2+]C[C@@H]2CCN(S(=O)(=O)c3cccs3)C2)cc1 ZINC000375738281 558075028 /nfs/dbraw/zinc/07/50/28/558075028.db2.gz MGOLQHFUKYJOAG-INIZCTEOSA-N 1 0 361.492 2.420 20 30 FEEDRO C[N@@H+]1CC[C@H]2CCN(C(=O)C3CCN(c4ccc(C#N)cc4F)CC3)C[C@H]21 ZINC000376075044 558123307 /nfs/dbraw/zinc/12/33/07/558123307.db2.gz KYDTYTDXLGFHDJ-OXJNMPFZSA-N 1 0 370.472 2.466 20 30 FEEDRO CC[N@@H+]1CCC[C@@H](CN(C)c2nc(C)cc(C#N)n2)[C@@H]1c1cnn(C)c1 ZINC000376381508 558165800 /nfs/dbraw/zinc/16/58/00/558165800.db2.gz KMROHHCLZKRIJG-MAUKXSAKSA-N 1 0 353.474 2.300 20 30 FEEDRO N#Cc1ccc(S(N)(=O)=O)cc1NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000376433342 558172713 /nfs/dbraw/zinc/17/27/13/558172713.db2.gz HQOLNEKEBMXVRN-INIZCTEOSA-N 1 0 362.499 2.415 20 30 FEEDRO CN(CCC#N)C[C@@H](O)C[NH2+][C@@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000521995354 562188496 /nfs/dbraw/zinc/18/84/96/562188496.db2.gz DUEHCIICLAVISC-VQTJNVASSA-N 1 0 358.530 2.083 20 30 FEEDRO C=CCCCCCN(C)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000377218567 558291743 /nfs/dbraw/zinc/29/17/43/558291743.db2.gz WEPZHXNNXGKRIN-AYHJJNSGSA-N 1 0 364.534 2.458 20 30 FEEDRO Cc1cc(NC(=O)C2CCN(CC(F)F)CC2)nn1-c1cccc(C#N)c1 ZINC000377278668 558304878 /nfs/dbraw/zinc/30/48/78/558304878.db2.gz DDRORJQXPMTUTN-UHFFFAOYSA-N 1 0 373.407 2.968 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N2CCC[C@@H](c3nnc4n3CCCCC4)C2)CC1 ZINC000377453390 558343645 /nfs/dbraw/zinc/34/36/45/558343645.db2.gz GGOHPZSJGYZHRA-GOSISDBHSA-N 1 0 369.513 2.056 20 30 FEEDRO C#Cc1ccccc1CC(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cnn(C)c1 ZINC000377939118 558449395 /nfs/dbraw/zinc/44/93/95/558449395.db2.gz JFAINZVBHOHYAC-NQIIRXRSSA-N 1 0 350.466 2.143 20 30 FEEDRO Cc1ncc(C[N@@H+]2CC[C@H](Nc3nccc(C#N)c3[N+](=O)[O-])[C@@H](C)C2)s1 ZINC000378130984 558487870 /nfs/dbraw/zinc/48/78/70/558487870.db2.gz DKTPHEVECQTPLZ-NHYWBVRUSA-N 1 0 372.454 2.949 20 30 FEEDRO CC(C)c1nc(CN2CCC[N@H+](C[C@H](O)c3ccc(C#N)cc3)CC2)no1 ZINC000378143925 558490418 /nfs/dbraw/zinc/49/04/18/558490418.db2.gz PYDBAURVQWHIGA-SFHVURJKSA-N 1 0 369.469 2.306 20 30 FEEDRO C[C@@H]1COCCN(CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC000378291893 558521423 /nfs/dbraw/zinc/52/14/23/558521423.db2.gz QUPCUJDSRLUHCR-AWEZNQCLSA-N 1 0 354.372 2.141 20 30 FEEDRO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCCN(CC(=O)NC(C)(C)C)CC2)cc1 ZINC000378337980 558532757 /nfs/dbraw/zinc/53/27/57/558532757.db2.gz RBFVZYNWSXTGPJ-QGZVFWFLSA-N 1 0 372.513 2.400 20 30 FEEDRO Cn1cc([C@H](O)C[C@H]2CCC[N@@H+]2CCC(=O)Nc2ccccc2C#N)cn1 ZINC000378357589 558537784 /nfs/dbraw/zinc/53/77/84/558537784.db2.gz CKFFBKHZPGWEER-IEBWSBKVSA-N 1 0 367.453 2.208 20 30 FEEDRO Cc1noc(CCCC(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)n1 ZINC000378489679 558568031 /nfs/dbraw/zinc/56/80/31/558568031.db2.gz CPIGVKUXKOWMRT-UHFFFAOYSA-N 1 0 367.453 2.375 20 30 FEEDRO Cc1cc(NC(=O)N[C@@H]2CC[N@@H+](C3CCCCCC3)C2)nn1CCC#N ZINC000378517168 558573459 /nfs/dbraw/zinc/57/34/59/558573459.db2.gz JQFXTLISPDJEDP-MRXNPFEDSA-N 1 0 358.490 3.024 20 30 FEEDRO C[C@@H](O)C[N@@H+]1CCN(c2nc3c(c(C#N)c2C#N)CCCCCC3)C[C@@H]1C ZINC000408332649 558667579 /nfs/dbraw/zinc/66/75/79/558667579.db2.gz YCZVEBPKQIWDAK-JKSUJKDBSA-N 1 0 367.497 2.375 20 30 FEEDRO C[NH+](C)C1CCN(S(=O)(=O)c2ccc(C#N)c(Br)c2)CC1 ZINC000408396013 558673759 /nfs/dbraw/zinc/67/37/59/558673759.db2.gz OWZWYDNCCQPZLJ-UHFFFAOYSA-N 1 0 372.288 2.035 20 30 FEEDRO CCN(CCC#N)S(=O)(=O)N1CC[NH+](C2CCC(C(C)C)CC2)CC1 ZINC000409485444 558696498 /nfs/dbraw/zinc/69/64/98/558696498.db2.gz OKYJIYIHNBYIOI-UHFFFAOYSA-N 1 0 370.563 2.299 20 30 FEEDRO CCN(C[C@@H](C)C#N)S(=O)(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000409529492 558700495 /nfs/dbraw/zinc/70/04/95/558700495.db2.gz PFASXFWIARAFGD-GJZGRUSLSA-N 1 0 370.544 2.201 20 30 FEEDRO CC1CC[NH+](C[C@H](O)CNC(=O)CSCc2ccc(C#N)cc2)CC1 ZINC000409716501 558716213 /nfs/dbraw/zinc/71/62/13/558716213.db2.gz LPCJZIWNGMUGJR-GOSISDBHSA-N 1 0 361.511 2.000 20 30 FEEDRO N#Cc1ccc(C(=O)NCc2ccc(OCC[NH+]3CCCC3)cc2)nc1 ZINC000524695345 562232515 /nfs/dbraw/zinc/23/25/15/562232515.db2.gz CPYAYDOAWAAXQO-UHFFFAOYSA-N 1 0 350.422 2.358 20 30 FEEDRO C[C@H](CNS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1)[N@H+](C)C1CC1 ZINC000410117604 558739433 /nfs/dbraw/zinc/73/94/33/558739433.db2.gz MOYFAMWGUPKIBW-SNVBAGLBSA-N 1 0 361.389 2.338 20 30 FEEDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNS(=O)(=O)N(CC)C[C@@H](C)C#N)C1 ZINC000410130635 558740506 /nfs/dbraw/zinc/74/05/06/558740506.db2.gz MTTUMODGUQBYGU-JKSUJKDBSA-N 1 0 358.552 2.203 20 30 FEEDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2ncc(C#N)cc2Cl)[C@H](C)C1 ZINC000410485460 558766674 /nfs/dbraw/zinc/76/66/74/558766674.db2.gz TVSFLAXWDRIYDH-CZUORRHYSA-N 1 0 364.877 2.473 20 30 FEEDRO C[N@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)C1(CCO)CCOCC1 ZINC000411495557 558905298 /nfs/dbraw/zinc/90/52/98/558905298.db2.gz LEOWWGUEYQFDMT-UHFFFAOYSA-N 1 0 365.861 2.404 20 30 FEEDRO C[NH+](C)CCN(Cc1ccsc1)C(=O)C(=O)Nc1cccc(C#N)c1 ZINC000411695536 558946020 /nfs/dbraw/zinc/94/60/20/558946020.db2.gz ORIUBKZFFYLUIG-UHFFFAOYSA-N 1 0 356.451 2.149 20 30 FEEDRO COCC1(C#N)CC[NH+](C[C@H](O)COc2ccc(SC)cc2)CC1 ZINC000411767013 558958937 /nfs/dbraw/zinc/95/89/37/558958937.db2.gz NEMXFRJLCNKYOR-HNNXBMFYSA-N 1 0 350.484 2.400 20 30 FEEDRO N#Cc1ccccc1NC(=O)CC[N@H+]1CC[C@@](C(N)=O)(c2ccccc2)C1 ZINC000411961503 558995758 /nfs/dbraw/zinc/99/57/58/558995758.db2.gz FIVSDHFKYJAWOO-NRFANRHFSA-N 1 0 362.433 2.016 20 30 FEEDRO C[C@H]1CN(CC(=O)NCc2cccc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000411990437 558999804 /nfs/dbraw/zinc/99/98/04/558999804.db2.gz ZFDOBXDSWOUWJG-SFHVURJKSA-N 1 0 362.477 2.381 20 30 FEEDRO CN(C)C(=O)CC[NH+]1CCC(Nc2cc(C(F)(F)F)cnc2C#N)CC1 ZINC000413136221 559081757 /nfs/dbraw/zinc/08/17/57/559081757.db2.gz NSHUDABDFKFLRD-UHFFFAOYSA-N 1 0 369.391 2.327 20 30 FEEDRO CC(=O)c1ncc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)s1 ZINC000413174978 559085552 /nfs/dbraw/zinc/08/55/52/559085552.db2.gz JEVKWSVKDYCRFG-UHFFFAOYSA-N 1 0 356.451 2.421 20 30 FEEDRO N#Cc1ncc(C(F)(F)F)cc1NCC(=O)NCC[NH+]1CCCCCC1 ZINC000413294579 559096454 /nfs/dbraw/zinc/09/64/54/559096454.db2.gz BKVVVGQMTSJSOX-UHFFFAOYSA-N 1 0 369.391 2.376 20 30 FEEDRO COC(=O)[C@@H]1CN(Cc2ccc(C#N)cc2C(F)(F)F)CC[N@H+](C)C1 ZINC000414485756 559168065 /nfs/dbraw/zinc/16/80/65/559168065.db2.gz IKWNWQVBWNJVEK-AWEZNQCLSA-N 1 0 355.360 2.114 20 30 FEEDRO C[C@@H]([NH2+]CC1(c2ccc(F)cc2)CCOCC1)C(=O)NC1(C#N)CCC1 ZINC000527039978 562274326 /nfs/dbraw/zinc/27/43/26/562274326.db2.gz DIPNKAWBLPADRX-OAHLLOKOSA-N 1 0 359.445 2.414 20 30 FEEDRO CC(C)(C#N)c1ccc(NC(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])cc1 ZINC000414838838 559190332 /nfs/dbraw/zinc/19/03/32/559190332.db2.gz ZNNRAHFHCHFHCR-KRWDZBQOSA-N 1 0 371.485 2.339 20 30 FEEDRO CCCN(C(=O)C(=O)Nc1ccccc1SC[C@@H](C)C#N)[C@@H]1CC[NH2+]C1 ZINC000415402481 559231866 /nfs/dbraw/zinc/23/18/66/559231866.db2.gz KACHLCKVSBOIDM-LSDHHAIUSA-N 1 0 374.510 2.477 20 30 FEEDRO CC(C)[C@@H]1CCc2c(C#N)c(NC(=O)C(=O)N(C)[C@H](C)C[NH3+])sc2C1 ZINC000415419996 559233643 /nfs/dbraw/zinc/23/36/43/559233643.db2.gz RTQFJAOYSKBHNA-VXGBXAGGSA-N 1 0 362.499 2.125 20 30 FEEDRO C[C@H]1CCCN(C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)[C@H]1C[NH3+] ZINC000415437495 559236971 /nfs/dbraw/zinc/23/69/71/559236971.db2.gz CCIZEKZGMLEOHZ-LRDDRELGSA-N 1 0 372.860 2.988 20 30 FEEDRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000415449145 559238263 /nfs/dbraw/zinc/23/82/63/559238263.db2.gz VHGMTYBRQQHKIG-SFHVURJKSA-N 1 0 366.421 2.389 20 30 FEEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000415467778 559240313 /nfs/dbraw/zinc/24/03/13/559240313.db2.gz VCYVUDKTVRGNNJ-MJBXVCDLSA-N 1 0 360.483 2.215 20 30 FEEDRO N#Cc1ccc(-n2ccc(NC(=O)N[C@@H]3CCC[C@@H]([NH3+])C3)n2)c(Cl)c1 ZINC000415469586 559240724 /nfs/dbraw/zinc/24/07/24/559240724.db2.gz XQYCQQSXRBAREE-CHWSQXEVSA-N 1 0 358.833 2.789 20 30 FEEDRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)C1 ZINC000415470960 559241034 /nfs/dbraw/zinc/24/10/34/559241034.db2.gz ZLIIEDHEJPMSCN-VXGBXAGGSA-N 1 0 358.833 2.598 20 30 FEEDRO N#Cc1cc(NC(=O)C(=O)NC[C@H]([NH3+])C2CC2)ccc1Oc1ccccc1 ZINC000415534786 559247238 /nfs/dbraw/zinc/24/72/38/559247238.db2.gz BYHXXCOXXQOUGC-KRWDZBQOSA-N 1 0 364.405 2.143 20 30 FEEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)NCCCC[NH3+] ZINC000415560114 559249857 /nfs/dbraw/zinc/24/98/57/559249857.db2.gz GKSIJOFHGDEQIG-UHFFFAOYSA-N 1 0 366.421 2.453 20 30 FEEDRO N#CCCCN1c2ccc(NC(=O)NC[C@H]([NH3+])C3CC3)cc2CCC1=O ZINC000415564373 559250188 /nfs/dbraw/zinc/25/01/88/559250188.db2.gz QCUNJGBFOXHZOE-INIZCTEOSA-N 1 0 355.442 2.128 20 30 FEEDRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)Nc2ccccc2S[C@H](C)CC#N)C1 ZINC000415566741 559250577 /nfs/dbraw/zinc/25/05/77/559250577.db2.gz JKGCUWWTPKORBA-MCIONIFRSA-N 1 0 360.483 2.215 20 30 FEEDRO O=C(Nc1ccccc1C#Cc1ccccc1)C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000415736860 559266149 /nfs/dbraw/zinc/26/61/49/559266149.db2.gz BZRNTKKMMRRIOP-VQTJNVASSA-N 1 0 373.456 2.093 20 30 FEEDRO C[C@@H](CCCC[NH3+])NC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000415746333 559267172 /nfs/dbraw/zinc/26/71/72/559267172.db2.gz UNSURLSASXECOG-JTQLQIEISA-N 1 0 356.348 2.149 20 30 FEEDRO C=C(C)COc1cccc(NC(=O)C(=O)N2CCC3(CC[NH2+]C3)CC2)c1 ZINC000415769477 559269651 /nfs/dbraw/zinc/26/96/51/559269651.db2.gz PKLKWBSHXCIKLP-UHFFFAOYSA-N 1 0 357.454 2.182 20 30 FEEDRO CC(C)(C)c1cc(C#N)c(NC(=O)C(=O)NC[C@H]2CCC[C@H]([NH3+])C2)s1 ZINC000415801712 559272457 /nfs/dbraw/zinc/27/24/57/559272457.db2.gz FNMMFBNXQIVZES-AAEUAGOBSA-N 1 0 362.499 2.489 20 30 FEEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000415885676 559281318 /nfs/dbraw/zinc/28/13/18/559281318.db2.gz ICLZLYWROXOZDC-BFHYXJOUSA-N 1 0 360.483 2.276 20 30 FEEDRO C[NH2+]CC1CCN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)CC1 ZINC000417584447 559367864 /nfs/dbraw/zinc/36/78/64/559367864.db2.gz XNVVQXQLCLAWBE-QGZVFWFLSA-N 1 0 373.476 2.307 20 30 FEEDRO CN(C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1)C1CC[NH2+]CC1 ZINC000417585705 559367942 /nfs/dbraw/zinc/36/79/42/559367942.db2.gz ZWPCNMAPVSYZCN-HNNXBMFYSA-N 1 0 359.449 2.060 20 30 FEEDRO CN(C)C(=O)c1ccccc1C[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000418084062 559389702 /nfs/dbraw/zinc/38/97/02/559389702.db2.gz USQDQTGFUDYIDH-QGZVFWFLSA-N 1 0 350.422 2.308 20 30 FEEDRO N#CCCn1cc(C[NH2+][C@@H]2CCN(CC(F)F)C2)c(-c2ccncc2)n1 ZINC000418134559 559391448 /nfs/dbraw/zinc/39/14/48/559391448.db2.gz NMUAVHSIFRPCJQ-MRXNPFEDSA-N 1 0 360.412 2.288 20 30 FEEDRO N#Cc1ccc(N2CCN(C(=O)NCC3([NH3+])CCCCC3)CC2)c(F)c1 ZINC000418291541 559396605 /nfs/dbraw/zinc/39/66/05/559396605.db2.gz AFPHCAOMHPJKKF-UHFFFAOYSA-N 1 0 359.449 2.191 20 30 FEEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)NCC1(COC)CC[NH2+]CC1 ZINC000418636630 559408810 /nfs/dbraw/zinc/40/88/10/559408810.db2.gz HRQQMMPYICQIOX-UHFFFAOYSA-N 1 0 358.486 2.496 20 30 FEEDRO N#C[C@H]1CN(C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)CCN1Cc1ccccc1 ZINC000418682043 559411141 /nfs/dbraw/zinc/41/11/41/559411141.db2.gz IDLCEEAAJXAYFE-BJLQDIEVSA-N 1 0 369.513 2.171 20 30 FEEDRO N#Cc1c(F)cccc1N1CCN(C(=O)NC[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000418738914 559413315 /nfs/dbraw/zinc/41/33/15/559413315.db2.gz ZSPIXOAZMSWXCO-GJZGRUSLSA-N 1 0 359.449 2.046 20 30 FEEDRO C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000419054802 559426340 /nfs/dbraw/zinc/42/63/40/559426340.db2.gz IKAIRJOXZMFSQU-ZWKOTPCHSA-N 1 0 357.498 2.184 20 30 FEEDRO C[C@@H](CC[NH3+])NC(=O)C(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000419203956 559432504 /nfs/dbraw/zinc/43/25/04/559432504.db2.gz HKSBUDNOXXNBGY-GJZGRUSLSA-N 1 0 364.449 2.256 20 30 FEEDRO CC[C@](C[NH2+][C@H](C)C(=O)NC1(C#N)CCC1)(C(=O)OC)c1ccccc1 ZINC000419365866 559439672 /nfs/dbraw/zinc/43/96/72/559439672.db2.gz YNOBBHGGZVHIKV-FOIQADDNSA-N 1 0 357.454 2.048 20 30 FEEDRO N#CC1(CNC(=O)NCc2ccccc2C[N@H+]2CCC[C@H]2CO)CCC1 ZINC000419482054 559444570 /nfs/dbraw/zinc/44/45/70/559444570.db2.gz SNEVIOMFQOIMIR-SFHVURJKSA-N 1 0 356.470 2.136 20 30 FEEDRO C=CCC[C@H](NC(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@@H]1C)c1ccccc1 ZINC000419663876 559452478 /nfs/dbraw/zinc/45/24/78/559452478.db2.gz KYNZKGHKCZQCDO-HYVNUMGLSA-N 1 0 359.470 2.039 20 30 FEEDRO C=C(C)[C@H](NC(=O)C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1)c1ccc(F)c(F)c1 ZINC000419668495 559452728 /nfs/dbraw/zinc/45/27/28/559452728.db2.gz AKWMEEVWZZJMTE-QEORTHHSSA-N 1 0 365.424 2.284 20 30 FEEDRO C=CCC[C@H]1NC(=O)N(CCCC[NH+]2CCN(c3ccccc3)CC2)C1=O ZINC000419943230 559465736 /nfs/dbraw/zinc/46/57/36/559465736.db2.gz IHZUYZLOOCPELZ-LJQANCHMSA-N 1 0 370.497 2.475 20 30 FEEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000419964641 559466741 /nfs/dbraw/zinc/46/67/41/559466741.db2.gz IZHFJPSBGIRVLG-LJQANCHMSA-N 1 0 370.497 2.321 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1Cl ZINC000420459399 559488656 /nfs/dbraw/zinc/48/86/56/559488656.db2.gz QZCRSHSQBQFXOI-KBPBESRZSA-N 1 0 353.875 2.222 20 30 FEEDRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)NCc2ccc(C#N)s2)C1 ZINC000420881427 559509137 /nfs/dbraw/zinc/50/91/37/559509137.db2.gz FMZUOZBFBBSHJS-AWEZNQCLSA-N 1 0 350.488 2.262 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H](C)CCCc2cccnc2)CC1 ZINC000422300536 559576840 /nfs/dbraw/zinc/57/68/40/559576840.db2.gz VIPKWIUYDJGSFO-QGZVFWFLSA-N 1 0 372.513 2.066 20 30 FEEDRO C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000422301037 559576931 /nfs/dbraw/zinc/57/69/31/559576931.db2.gz WBAYHCKEJDQNPH-OALUTQOASA-N 1 0 369.509 2.423 20 30 FEEDRO C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000422529905 559593174 /nfs/dbraw/zinc/59/31/74/559593174.db2.gz PTIQFSMVAPOAMV-UXHICEINSA-N 1 0 369.509 2.377 20 30 FEEDRO O=C(NCC(F)(F)F)C1CC[NH+](CCOCC(F)(F)C(F)F)CC1 ZINC000527300408 562284506 /nfs/dbraw/zinc/28/45/06/562284506.db2.gz ZGGZDZOCRIBXIX-UHFFFAOYSA-N 1 0 368.293 2.294 20 30 FEEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000423021691 559615332 /nfs/dbraw/zinc/61/53/32/559615332.db2.gz FZCBLJNMAKGAHH-TXEJJXNPSA-N 1 0 355.891 2.125 20 30 FEEDRO Cc1c(NC(=O)[C@H]([NH3+])CCCC#N)cccc1S(=O)(=O)NC(C)(C)C ZINC000424127015 559655548 /nfs/dbraw/zinc/65/55/48/559655548.db2.gz POJLASPMTCLYMM-CYBMUJFWSA-N 1 0 366.487 2.032 20 30 FEEDRO N#CCCC[C@H]([NH3+])C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000424142439 559655942 /nfs/dbraw/zinc/65/59/42/559655942.db2.gz UZUYFZRIXZNXSE-HNNXBMFYSA-N 1 0 354.376 2.375 20 30 FEEDRO N#CCCC[C@H]([NH3+])C(=O)N[C@@H]1CCN(c2ccccc2OC(F)F)C1 ZINC000424150859 559656231 /nfs/dbraw/zinc/65/62/31/559656231.db2.gz ZRPXMFNHPBDTQQ-OLZOCXBDSA-N 1 0 352.385 2.004 20 30 FEEDRO COc1cc(OC)c(NC(=O)[C@H]([NH3+])CCCC#N)cc1Br ZINC000424168586 559656555 /nfs/dbraw/zinc/65/65/55/559656555.db2.gz GDBICYJAGYLVTB-SNVBAGLBSA-N 1 0 356.220 2.426 20 30 FEEDRO CCOc1ccccc1CN1CCN(C(=O)[C@H]([NH3+])CCCC#N)[C@H](C)C1 ZINC000424178543 559656874 /nfs/dbraw/zinc/65/68/74/559656874.db2.gz WWCQRODFOROPDD-SJLPKXTDSA-N 1 0 358.486 2.139 20 30 FEEDRO C[C@@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000424328800 559661622 /nfs/dbraw/zinc/66/16/22/559661622.db2.gz OSHOWUNQZWVQQA-JFGNBEQYSA-N 1 0 372.288 2.439 20 30 FEEDRO C=CCCn1cc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2C)nn1 ZINC000424539010 559668728 /nfs/dbraw/zinc/66/87/28/559668728.db2.gz GWJQBIFKPNPUMF-UHFFFAOYSA-N 1 0 354.458 2.167 20 30 FEEDRO C[C@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000425378407 559698726 /nfs/dbraw/zinc/69/87/26/559698726.db2.gz BGZHHFXYMKHCTB-AYOQOUSVSA-N 1 0 368.481 2.020 20 30 FEEDRO C[C@H](CNC(=O)N(C)[C@@H](C)c1cccc(C#N)c1)C[NH+]1CCN(C)CC1 ZINC000425468434 559703680 /nfs/dbraw/zinc/70/36/80/559703680.db2.gz DOXNWYOZOAJBSE-SJORKVTESA-N 1 0 357.502 2.144 20 30 FEEDRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)N(C)[C@@H](C)c1cccc(C#N)c1 ZINC000425503222 559706267 /nfs/dbraw/zinc/70/62/67/559706267.db2.gz RPAYQMDEQDPNLC-SJORKVTESA-N 1 0 357.502 2.287 20 30 FEEDRO C=CCn1cc(CNC(=O)N[C@@H](C[N@H+](C)Cc2ccccc2)C(C)C)nn1 ZINC000425502261 559706328 /nfs/dbraw/zinc/70/63/28/559706328.db2.gz PNVGMOMQTNUCSL-IBGZPJMESA-N 1 0 370.501 2.420 20 30 FEEDRO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000425720640 559715896 /nfs/dbraw/zinc/71/58/96/559715896.db2.gz DTDUEVBYQDYAMW-INIZCTEOSA-N 1 0 357.502 2.287 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)N(CC[NH+](C)C)Cc1cccc(OC)c1 ZINC000425856672 559723021 /nfs/dbraw/zinc/72/30/21/559723021.db2.gz OPPVYJNAPDZXBL-HKUYNNGSSA-N 1 0 361.486 2.360 20 30 FEEDRO CC(C)C[NH+]1CCC(NC(=O)C(=O)N(C)[C@H](C)c2cccc(C#N)c2)CC1 ZINC000425869056 559723435 /nfs/dbraw/zinc/72/34/35/559723435.db2.gz UOGLHVFFAVTWCI-MRXNPFEDSA-N 1 0 370.497 2.314 20 30 FEEDRO C[C@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000425878673 559723803 /nfs/dbraw/zinc/72/38/03/559723803.db2.gz DKEZYRVJIJXGMH-FMJMRLDVSA-N 1 0 368.481 2.209 20 30 FEEDRO C=CCn1cc(CNC(=O)N(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)nn1 ZINC000425883642 559723829 /nfs/dbraw/zinc/72/38/29/559723829.db2.gz VUCLEEUWSQXMRA-LJQANCHMSA-N 1 0 368.485 2.270 20 30 FEEDRO C[C@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)NCCCC[N@H+](C)C1CC1 ZINC000425908029 559724779 /nfs/dbraw/zinc/72/47/79/559724779.db2.gz FHHLCVZWNDDDLB-OAHLLOKOSA-N 1 0 356.470 2.068 20 30 FEEDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)CNc2cccc(C#N)c2)[C@@H](C)C1 ZINC000426746174 559741358 /nfs/dbraw/zinc/74/13/58/559741358.db2.gz JBPPINIYOBCZBL-LPHOPBHVSA-N 1 0 358.486 2.223 20 30 FEEDRO C=CCNC(=O)C[NH2+][C@@H](Cc1ccc(F)cc1)[C@@H]1COc2ccccc2O1 ZINC000429238446 559793452 /nfs/dbraw/zinc/79/34/52/559793452.db2.gz RHUFCKWPTVANDR-PXNSSMCTSA-N 1 0 370.424 2.469 20 30 FEEDRO C=CCNC(=O)C[NH2+][C@H](Cc1ccc(F)cc1)[C@@H]1COc2ccccc2O1 ZINC000429238448 559793522 /nfs/dbraw/zinc/79/35/22/559793522.db2.gz RHUFCKWPTVANDR-XLIONFOSSA-N 1 0 370.424 2.469 20 30 FEEDRO CC(=O)N[C@@H]1CCCN(C(=O)C[NH2+][C@@H](CCCC#N)c2ccccc2)C1 ZINC000433014514 559869974 /nfs/dbraw/zinc/86/99/74/559869974.db2.gz SJBAIEDEPAWYRY-MOPGFXCFSA-N 1 0 356.470 2.138 20 30 FEEDRO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCC(CO)(c2ccccc2)CC1 ZINC000433062624 559870945 /nfs/dbraw/zinc/87/09/45/559870945.db2.gz UQBHVWWBIBZGIE-YLJYHZDGSA-N 1 0 357.498 2.455 20 30 FEEDRO N#CCCn1cc(C[NH2+]CCc2cccc(C(N)=O)c2)c(-c2ccncc2)n1 ZINC000433316204 559876689 /nfs/dbraw/zinc/87/66/89/559876689.db2.gz FNEXYLQSJTYGFY-UHFFFAOYSA-N 1 0 374.448 2.290 20 30 FEEDRO N#Cc1ccc(NC(=O)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)c(F)c1 ZINC000433515252 559883390 /nfs/dbraw/zinc/88/33/90/559883390.db2.gz KJZCLNGPDNEAQO-INIZCTEOSA-N 1 0 366.396 2.027 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@@H]([C@H](O)C(F)(F)F)C2)CC1 ZINC000433606005 559884954 /nfs/dbraw/zinc/88/49/54/559884954.db2.gz FHEWKXKHSWMRRB-HIFRSBDPSA-N 1 0 363.424 2.372 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2nc(C(C)(C)C)cs2)CC1 ZINC000434925200 559912700 /nfs/dbraw/zinc/91/27/00/559912700.db2.gz VBYUONHJKAOQSJ-UHFFFAOYSA-N 1 0 350.488 2.146 20 30 FEEDRO N#Cc1cccc(C2(C(=O)N3CCC[C@@H](C[NH+]4CCOCC4)C3)CC2)c1 ZINC000435013388 559914252 /nfs/dbraw/zinc/91/42/52/559914252.db2.gz XMJYLDWZUPLHAJ-SFHVURJKSA-N 1 0 353.466 2.161 20 30 FEEDRO C=CCN(CC=C)C(=O)CN(Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435681229 559927989 /nfs/dbraw/zinc/92/79/89/559927989.db2.gz APWOEVGPXWSSLS-MRXNPFEDSA-N 1 0 360.527 2.288 20 30 FEEDRO CCOC(=O)Cn1nc(C)c(C[NH2+]CCOc2ccc(C#N)cc2)c1C ZINC000438186017 559975318 /nfs/dbraw/zinc/97/53/18/559975318.db2.gz DMFLWPAAJDAGCL-UHFFFAOYSA-N 1 0 356.426 2.103 20 30 FEEDRO CCCC[NH+]1CCC(NS(=O)(=O)Cc2ccc(C#N)cc2F)CC1 ZINC000440053230 560003858 /nfs/dbraw/zinc/00/38/58/560003858.db2.gz QYSSHKJUQUTZLW-UHFFFAOYSA-N 1 0 353.463 2.381 20 30 FEEDRO C[N@@H+]1CCN(CCNC(=O)N[C@@H](CCC#N)c2ccccc2)CC1(C)C ZINC000441014895 560021512 /nfs/dbraw/zinc/02/15/12/560021512.db2.gz PYTFEXMIKRUTJI-SFHVURJKSA-N 1 0 357.502 2.357 20 30 FEEDRO C=CCN1C(=O)c2ccc(C(=O)N3CCC([C@H]4CCC[NH2+]4)CC3)cc2C1=O ZINC000442531201 560052461 /nfs/dbraw/zinc/05/24/61/560052461.db2.gz TVSLROBSBLPXJL-GOSISDBHSA-N 1 0 367.449 2.073 20 30 FEEDRO COc1ccc([C@H](C[NH2+][C@H]2CC[C@@H](C#N)C2)N2CCOCC2)cc1OC ZINC000442658755 560054586 /nfs/dbraw/zinc/05/45/86/560054586.db2.gz XFCRMNGGLNBCLK-NJAFHUGGSA-N 1 0 359.470 2.359 20 30 FEEDRO C[C@H](CNS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)[N@@H+]1CCCC[C@@H]1C ZINC000443104691 560070684 /nfs/dbraw/zinc/07/06/84/560070684.db2.gz NYSBTDHISMEYOJ-QWHCGFSZSA-N 1 0 366.443 2.008 20 30 FEEDRO CC(C)C[N@@H+]1CCCC[C@H]1CNS(=O)(=O)c1ccc(F)cc1C#N ZINC000443392458 560082872 /nfs/dbraw/zinc/08/28/72/560082872.db2.gz XWPGUANLCWYEAM-INIZCTEOSA-N 1 0 353.463 2.486 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1C(F)(F)F ZINC000447243948 560158583 /nfs/dbraw/zinc/15/85/83/560158583.db2.gz BZDHDMHMNNTYHC-CORIIIEPSA-N 1 0 373.400 2.325 20 30 FEEDRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)Nc1cc(C#N)ccc1Cl ZINC000448326019 560184869 /nfs/dbraw/zinc/18/48/69/560184869.db2.gz VRFQKXXPIDFWDJ-HNNXBMFYSA-N 1 0 362.861 2.387 20 30 FEEDRO CCOC(=O)CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)c1cc(C#N)[nH]c1C ZINC000448794175 560199720 /nfs/dbraw/zinc/19/97/20/560199720.db2.gz BEZLBPFAPYVOIR-MRXNPFEDSA-N 1 0 360.458 2.075 20 30 FEEDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(Br)cc1C#N ZINC000448911716 560206307 /nfs/dbraw/zinc/20/63/07/560206307.db2.gz QSCKTXABGALNFS-CQSZACIVSA-N 1 0 366.259 2.161 20 30 FEEDRO N#CCCn1cc(C[NH2+]C[C@H]2CCCN2CCCO)c(-c2ccccc2)n1 ZINC000449390094 560228411 /nfs/dbraw/zinc/22/84/11/560228411.db2.gz VGMNBFMMCCXQLD-HXUWFJFHSA-N 1 0 367.497 2.400 20 30 FEEDRO C=CCC[C@@H](CO)[NH2+]C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000449697048 560237273 /nfs/dbraw/zinc/23/72/73/560237273.db2.gz JVESNSXPPMKRMD-KRWDZBQOSA-N 1 0 352.500 2.065 20 30 FEEDRO C[C@@H]1CC[N@H+](C)CCN1C(=O)COc1ccc(C#N)c(Br)c1 ZINC000449854107 560242794 /nfs/dbraw/zinc/24/27/94/560242794.db2.gz FBQHDLPPXLDFRZ-GFCCVEGCSA-N 1 0 366.259 2.252 20 30 FEEDRO CN(C(=O)c1ccc(C#N)n1C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000450229058 560254667 /nfs/dbraw/zinc/25/46/67/560254667.db2.gz WDDPLFBOSKVOCN-RBUKOAKNSA-N 1 0 371.529 2.306 20 30 FEEDRO C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)COc1ccc(C#N)c(Br)c1 ZINC000450346689 560259375 /nfs/dbraw/zinc/25/93/75/560259375.db2.gz FPFQZWZHMHQFSB-RYUDHWBXSA-N 1 0 366.259 2.251 20 30 FEEDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 ZINC000450351553 560259491 /nfs/dbraw/zinc/25/94/91/560259491.db2.gz VJYNITFSEUGVHU-UMVBOHGHSA-N 1 0 374.872 2.116 20 30 FEEDRO C[C@@H]1C[NH+](CCOc2ccc(CCNc3nccc(C#N)n3)cc2)C[C@H]1C ZINC000450418156 560261695 /nfs/dbraw/zinc/26/16/95/560261695.db2.gz DXAADAAUYUTGJD-IAGOWNOFSA-N 1 0 365.481 2.969 20 30 FEEDRO C[NH+](C)CCN(C(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)C1CC1 ZINC000450720272 560271407 /nfs/dbraw/zinc/27/14/07/560271407.db2.gz XZDKAVVYIDECIF-AWEZNQCLSA-N 1 0 374.872 2.117 20 30 FEEDRO N#Cc1cc(C(F)(F)F)ccc1N1CC[NH+]([C@H]2CCNC(=O)CC2)CC1 ZINC000450891273 560276910 /nfs/dbraw/zinc/27/69/10/560276910.db2.gz JLARZZUGHCSKIH-OAHLLOKOSA-N 1 0 366.387 2.368 20 30 FEEDRO N#Cc1ccc(N2CC[NH+]([C@@H]3CCNC(=O)CC3)CC2)c(C(F)(F)F)c1 ZINC000450891784 560276927 /nfs/dbraw/zinc/27/69/27/560276927.db2.gz LJIQEVCMJJZVDB-AWEZNQCLSA-N 1 0 366.387 2.368 20 30 FEEDRO COc1ccc(C[NH2+]CCN2C[C@H]3CC[C@@H](C2)O3)cc1OCCCC#N ZINC000451219911 560293803 /nfs/dbraw/zinc/29/38/03/560293803.db2.gz FKUVIDRFULPFNZ-HDICACEKSA-N 1 0 359.470 2.331 20 30 FEEDRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNS(=O)(=O)Cc1ccc(F)cc1C#N ZINC000451478205 560309408 /nfs/dbraw/zinc/30/94/08/560309408.db2.gz JMUHHVBSFXBIRG-INIZCTEOSA-N 1 0 353.463 2.237 20 30 FEEDRO CC(=O)N1CCC[N@H+](C[C@H]2CCCN(CC#Cc3ccc(F)cc3)C2)CC1 ZINC000451533866 560312798 /nfs/dbraw/zinc/31/27/98/560312798.db2.gz XBBQMDIEOLDNPP-NRFANRHFSA-N 1 0 371.500 2.443 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]CC(=O)N(C)CCCOc1ccc(F)cc1 ZINC000451674591 560321441 /nfs/dbraw/zinc/32/14/41/560321441.db2.gz NNLJRMNEDWQUJV-MSOLQXFVSA-N 1 0 350.434 2.376 20 30 FEEDRO COC(=O)[C@@H]1C[N@@H+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C[C@@H]1c1ccccc1 ZINC000452000815 560344315 /nfs/dbraw/zinc/34/43/15/560344315.db2.gz ZTRWFCKVDWWGOY-FLTJSSMESA-N 1 0 371.481 2.318 20 30 FEEDRO C=CCn1c([C@@H]2CC[C@H](C)O2)nnc1N1CC[N@@H+](CCOCC)[C@@H](C)C1 ZINC000453417326 560386215 /nfs/dbraw/zinc/38/62/15/560386215.db2.gz ZXTPXDRXPKAPFZ-ULQDDVLXSA-N 1 0 363.506 2.251 20 30 FEEDRO CC[NH+](CC)[C@@H](CNC(=O)C(=O)Nc1ccc(C#N)c(C)n1)CC(C)C ZINC000453561939 560388732 /nfs/dbraw/zinc/38/87/32/560388732.db2.gz ALHIZYWQHSKWCC-MRXNPFEDSA-N 1 0 359.474 2.073 20 30 FEEDRO Cc1nc(NC(=O)C(=O)NC[C@@H](C(C)C)[NH+]2CCCCCC2)ccc1C#N ZINC000453574020 560389155 /nfs/dbraw/zinc/38/91/55/560389155.db2.gz PZRPYNPMAIBGDM-KRWDZBQOSA-N 1 0 371.485 2.217 20 30 FEEDRO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1cccc(CC#N)c1)c1cccc(F)c1 ZINC000453586270 560389803 /nfs/dbraw/zinc/38/98/03/560389803.db2.gz YCSXECZWJCSAIJ-SFHVURJKSA-N 1 0 368.412 2.249 20 30 FEEDRO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1cccc(CC#N)c1)c1ccc(F)cc1 ZINC000453608170 560390976 /nfs/dbraw/zinc/39/09/76/560390976.db2.gz UCNQVOATJAQDRJ-SFHVURJKSA-N 1 0 368.412 2.249 20 30 FEEDRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1cccc(CC#N)c1 ZINC000453647259 560393196 /nfs/dbraw/zinc/39/31/96/560393196.db2.gz RJFHMPKFTBIROH-GOSISDBHSA-N 1 0 356.470 2.462 20 30 FEEDRO Cc1cc(C#N)cc(NC(=O)C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)c1 ZINC000453669154 560395143 /nfs/dbraw/zinc/39/51/43/560395143.db2.gz ITEMXRKDVAGXQY-SFHVURJKSA-N 1 0 354.454 2.282 20 30 FEEDRO C[C@H](NC(=O)C(=O)Nc1ccc(CC#N)cc1Cl)C(C)(C)C[NH+](C)C ZINC000453674968 560395706 /nfs/dbraw/zinc/39/57/06/560395706.db2.gz WJAKNYVTSFXJMB-LBPRGKRZSA-N 1 0 364.877 2.437 20 30 FEEDRO CC[NH+](CC)C[C@H]1CCCC[C@H]1NC(=O)C(=O)Nc1ccc(C#N)c(C)n1 ZINC000453709102 560398524 /nfs/dbraw/zinc/39/85/24/560398524.db2.gz AIISJJNYYCLOCP-IAGOWNOFSA-N 1 0 371.485 2.217 20 30 FEEDRO C[NH+](C)CCc1ccc(CNC(=O)C(=O)Nc2cccc(CC#N)c2)cc1 ZINC000453743460 560400992 /nfs/dbraw/zinc/40/09/92/560400992.db2.gz UWSQNMHESAIBCT-UHFFFAOYSA-N 1 0 364.449 2.112 20 30 FEEDRO C[C@H](C#N)CN(C(=O)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)C1CC1 ZINC000453752831 560401626 /nfs/dbraw/zinc/40/16/26/560401626.db2.gz OJKGQKJAVCTBBP-ACJLOTCBSA-N 1 0 354.454 2.325 20 30 FEEDRO C[C@H]1[C@H](C)N(C(=O)C(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)CCN1C ZINC000453771402 560403231 /nfs/dbraw/zinc/40/32/31/560403231.db2.gz UODIGZFYDJGTMI-KBPBESRZSA-N 1 0 372.469 2.225 20 30 FEEDRO C=CC[C@@H](CC)NC(=O)N1CCC[C@@H](C[N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC000454912647 560463187 /nfs/dbraw/zinc/46/31/87/560463187.db2.gz NCFJYKVQMDKIEA-RBUKOAKNSA-N 1 0 364.534 2.317 20 30 FEEDRO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)Nc2cnc(C#N)c(Cl)c2)CC1 ZINC000455798423 560495142 /nfs/dbraw/zinc/49/51/42/560495142.db2.gz WTWSMJXYXYVDOD-LBPRGKRZSA-N 1 0 365.865 2.163 20 30 FEEDRO Cc1cc(C#N)cc(NC(=O)N2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)c1 ZINC000455957947 560502124 /nfs/dbraw/zinc/50/21/24/560502124.db2.gz QXRAYUNCUSKQED-INIZCTEOSA-N 1 0 355.486 2.499 20 30 FEEDRO Cc1cc(C(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)cn2)ncc1C#N ZINC000457667917 560580780 /nfs/dbraw/zinc/58/07/80/560580780.db2.gz WADIXSWFSQXFQP-UHFFFAOYSA-N 1 0 364.453 2.439 20 30 FEEDRO Cc1cc(C(=O)Nc2ccccc2C[NH+]2CCC(O)CC2)ncc1C#N ZINC000457672431 560580953 /nfs/dbraw/zinc/58/09/53/560580953.db2.gz CCGVRFHXZJJDHY-UHFFFAOYSA-N 1 0 350.422 2.471 20 30 FEEDRO CO[C@@H]([C@@H](C)NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)C1CC1 ZINC000459211041 560674222 /nfs/dbraw/zinc/67/42/22/560674222.db2.gz WVVLJPAQSQVTRG-BEFAXECRSA-N 1 0 358.486 2.445 20 30 FEEDRO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC[C@@](C)(C(=O)OC(C)(C)C)C1 ZINC000459586737 560696118 /nfs/dbraw/zinc/69/61/18/560696118.db2.gz PMBJJONLYQIMAB-NIKGAXFTSA-N 1 0 351.491 2.483 20 30 FEEDRO CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCc3cccc(Cl)c3C2)CC1 ZINC000459668270 560701163 /nfs/dbraw/zinc/70/11/63/560701163.db2.gz BNIXYPOSVUAHAK-LJQANCHMSA-N 1 0 374.916 2.390 20 30 FEEDRO C=CCN(CC=C)C(=O)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000459818680 560710606 /nfs/dbraw/zinc/71/06/06/560710606.db2.gz RBMTVKREQAICFM-VQTJNVASSA-N 1 0 367.493 2.168 20 30 FEEDRO C=C(C)Cn1c(C2CCC2)nnc1N1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000460804423 560752314 /nfs/dbraw/zinc/75/23/14/560752314.db2.gz PXUBVUQVDFKHNK-SFHVURJKSA-N 1 0 358.534 2.338 20 30 FEEDRO N#CCN1CCC[C@H](CNC(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)C1 ZINC000461482730 560773676 /nfs/dbraw/zinc/77/36/76/560773676.db2.gz SBFWOPNIZREIHS-MOPGFXCFSA-N 1 0 372.488 2.389 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1C(F)(F)F ZINC000461898259 560787083 /nfs/dbraw/zinc/78/70/83/560787083.db2.gz LXDWQNKCKKXOFC-DZGCQCFKSA-N 1 0 373.400 2.243 20 30 FEEDRO CC[NH+]1CCN(CC(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)CC1 ZINC000462010476 560792507 /nfs/dbraw/zinc/79/25/07/560792507.db2.gz FKLRUQTVVKFNHY-AWEZNQCLSA-N 1 0 355.269 2.312 20 30 FEEDRO C[C@H](CNC(=O)N1CC(Oc2ccc(C#N)cc2)C1)[N@@H+]1CCC[C@H](C)C1 ZINC000462128997 560798314 /nfs/dbraw/zinc/79/83/14/560798314.db2.gz OTQJGUCLYYIDAF-JKSUJKDBSA-N 1 0 356.470 2.451 20 30 FEEDRO COc1cc(CNC(=O)CC2([NH+]3CCOCC3)CCCC2)ccc1C#N ZINC000464701835 560848710 /nfs/dbraw/zinc/84/87/10/560848710.db2.gz VCLAOEOZTDYHFR-UHFFFAOYSA-N 1 0 357.454 2.218 20 30 FEEDRO C=CCOc1cc(OC)ccc1C(=O)N1C[C@@H](SC)[C@@H]([NH+](C)C)C1 ZINC000468013234 560921143 /nfs/dbraw/zinc/92/11/43/560921143.db2.gz DIVMJQVBDZAOMJ-DOTOQJQBSA-N 1 0 350.484 2.378 20 30 FEEDRO N#C[C@H](NC(=O)CC[NH+]1CCN(c2ccccn2)CC1)c1ccc(F)cc1 ZINC000468189063 560924334 /nfs/dbraw/zinc/92/43/34/560924334.db2.gz ZYIJWVGCUXYNJB-SFHVURJKSA-N 1 0 367.428 2.114 20 30 FEEDRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cc(-c3cccc(C#N)c3)no2)C1 ZINC000468509174 560931865 /nfs/dbraw/zinc/93/18/65/560931865.db2.gz BCFZVZWUVANVAA-QGZVFWFLSA-N 1 0 368.437 2.300 20 30 FEEDRO CCN(C[C@@H]1CC[N@@H+]([C@H](C)C(=O)NC2(C#N)CCC2)C1)CC(F)(F)F ZINC000469720584 560962730 /nfs/dbraw/zinc/96/27/30/560962730.db2.gz IVZJCQGTWMJEEK-KGLIPLIRSA-N 1 0 360.424 2.143 20 30 FEEDRO COC[C@@](C)(CCO)[NH2+]CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1 ZINC000470218025 560976926 /nfs/dbraw/zinc/97/69/26/560976926.db2.gz BUDXOYDKQLTZRT-GOSISDBHSA-N 1 0 367.877 2.272 20 30 FEEDRO CC(C)OCC[C@@H](O)C[NH+]1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000471546245 561006945 /nfs/dbraw/zinc/00/69/45/561006945.db2.gz IZXGKKKWPJFOHD-GOSISDBHSA-N 1 0 368.481 2.404 20 30 FEEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1C[C@H](OCc2ccccc2)C1(C)C ZINC000471855043 561012988 /nfs/dbraw/zinc/01/29/88/561012988.db2.gz DQEMUSOPJVBXHS-UAGQMJEPSA-N 1 0 359.470 2.360 20 30 FEEDRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)[C@H](C#N)Cc2ccc(C#N)cc2)C1 ZINC000472253309 561021914 /nfs/dbraw/zinc/02/19/14/561021914.db2.gz ATPBWARJPMOWHO-PMACEKPBSA-N 1 0 350.466 2.431 20 30 FEEDRO CS(=O)(=O)N[C@H]1CCCC[C@@H]1[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000472623554 561031184 /nfs/dbraw/zinc/03/11/84/561031184.db2.gz MARIOJWDJAFLAV-ROUUACIJSA-N 1 0 365.499 2.319 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cc(F)cc(F)c2OC)CC1 ZINC000473141181 561042718 /nfs/dbraw/zinc/04/27/18/561042718.db2.gz FYJMKHTZAOIMBL-UHFFFAOYSA-N 1 0 367.396 2.069 20 30 FEEDRO CCC[N@H+](CC)CCNC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000473174085 561043501 /nfs/dbraw/zinc/04/35/01/561043501.db2.gz NCIFSENQEXZGQT-UHFFFAOYSA-N 1 0 357.502 2.117 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1C[C@@H](C)O[C@@]2(CCOC2)C1)C(C)C ZINC000474062682 561064723 /nfs/dbraw/zinc/06/47/23/561064723.db2.gz WPYGBEIOVNULDY-GGPKGHCWSA-N 1 0 365.518 2.274 20 30 FEEDRO Cc1cc(C2CC[NH+](CC#CCN3C(=O)c4ccccc4C3=O)CC2)[nH]n1 ZINC000528433778 562329103 /nfs/dbraw/zinc/32/91/03/562329103.db2.gz WBEAZQJCTBBWAI-UHFFFAOYSA-N 1 0 362.433 2.197 20 30 FEEDRO Cc1noc(C)c1CO[C@@H]1CC[N@H+](C[C@H](O)COc2ccccc2C#N)C1 ZINC000528447039 562329807 /nfs/dbraw/zinc/32/98/07/562329807.db2.gz CNAVDMBEZVVXHT-ZWKOTPCHSA-N 1 0 371.437 2.194 20 30 FEEDRO Cc1noc(C)c1CO[C@H]1CC[N@H+](C[C@H](O)COc2ccccc2C#N)C1 ZINC000528447038 562329897 /nfs/dbraw/zinc/32/98/97/562329897.db2.gz CNAVDMBEZVVXHT-ROUUACIJSA-N 1 0 371.437 2.194 20 30 FEEDRO C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000528728079 562344327 /nfs/dbraw/zinc/34/43/27/562344327.db2.gz LIPVSGLGHODKEC-INIZCTEOSA-N 1 0 356.470 2.072 20 30 FEEDRO Cn1cc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)[S@]3=O)c(-c2ccc(C#N)cc2)n1 ZINC000528782355 562347241 /nfs/dbraw/zinc/34/72/41/562347241.db2.gz JAQMYHWZUIAYTR-UZEJHQAJSA-N 1 0 354.479 2.444 20 30 FEEDRO CC[C@@H]1CN(C(=O)Nc2ccc(COC)c(C#N)c2)CC[N@@H+]1C[C@@H](C)O ZINC000529213592 562365178 /nfs/dbraw/zinc/36/51/78/562365178.db2.gz SJOMHLXDTLHQOT-RDTXWAMCSA-N 1 0 360.458 2.014 20 30 FEEDRO COc1ccccc1N1CC[C@H]([NH2+]C[C@H](O)COc2ccccc2C#N)C1 ZINC000530232842 562403266 /nfs/dbraw/zinc/40/32/66/562403266.db2.gz TTWKAZZFGKKYMX-ROUUACIJSA-N 1 0 367.449 2.175 20 30 FEEDRO N#Cc1ccccc1OC[C@@H](O)C[NH2+]C1CCC(O)(c2cccnc2)CC1 ZINC000530233591 562403297 /nfs/dbraw/zinc/40/32/97/562403297.db2.gz XXQRVOVWPJGVLQ-SCCNAQOGSA-N 1 0 367.449 2.113 20 30 FEEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000531283686 562440513 /nfs/dbraw/zinc/44/05/13/562440513.db2.gz KDVXVODOYICVAK-CABCVRRESA-N 1 0 374.510 2.335 20 30 FEEDRO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)[C@H]1CCNC1=O ZINC000534662416 562539693 /nfs/dbraw/zinc/53/96/93/562539693.db2.gz UNPLAJPABKGAOL-AWEZNQCLSA-N 1 0 360.483 2.038 20 30 FEEDRO C=CC[C@@H](CO)NC(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000540997775 562599970 /nfs/dbraw/zinc/59/99/70/562599970.db2.gz LYJHGZBBEQIUCO-INIZCTEOSA-N 1 0 353.507 2.036 20 30 FEEDRO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2C[C@@H]3CC[C@@H](O)[C@@H]3C2)cc1 ZINC000541315271 562608736 /nfs/dbraw/zinc/60/87/36/562608736.db2.gz AMTZXAIDCOWHFR-KFKAGJAMSA-N 1 0 357.454 2.035 20 30 FEEDRO Cc1cc(NC(=O)C(=O)N(C)[C@@H]2CCC[C@H]2C#N)ccc1OCC[NH+](C)C ZINC000602061719 567922697 /nfs/dbraw/zinc/92/26/97/567922697.db2.gz GSSJUKQFSQLIRH-DOTOQJQBSA-N 1 0 372.469 2.025 20 30 FEEDRO C[NH+](C)CCn1c2cc(C(=O)N(CC#N)C3CCCC3)ccc2[nH]c1=O ZINC000602103393 567927788 /nfs/dbraw/zinc/92/77/88/567927788.db2.gz PXXGOUUWCCQAMQ-UHFFFAOYSA-N 1 0 355.442 2.212 20 30 FEEDRO Cc1ccc([C@H](CNC(=O)N2CCN(CCC#N)CC2)[NH+]2CCCC2)cc1 ZINC000602240303 567955310 /nfs/dbraw/zinc/95/53/10/567955310.db2.gz JSZGOUMBJMKEPI-FQEVSTJZSA-N 1 0 369.513 2.373 20 30 FEEDRO COc1nc(N2CC[NH+](C[C@H](C)CCC#N)CC2)ncc1Br ZINC000602462675 567982937 /nfs/dbraw/zinc/98/29/37/567982937.db2.gz OSRWCWVOGXMDMU-GFCCVEGCSA-N 1 0 368.279 2.310 20 30 FEEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]CCN1CCN(c2ccccc2)CC1 ZINC000602512887 567989427 /nfs/dbraw/zinc/98/94/27/567989427.db2.gz ZXAWBPVKDNZMRW-LJQANCHMSA-N 1 0 356.514 2.497 20 30 FEEDRO COCCOCCOc1ccc(C[NH+]2C[C@@H](C)N(CC#N)[C@H](C)C2)cc1 ZINC000602855087 568002231 /nfs/dbraw/zinc/00/22/31/568002231.db2.gz RRRMZPPIBNBZAR-QZTJIDSGSA-N 1 0 361.486 2.147 20 30 FEEDRO N#CC1(C[C@H](O)C[N@@H+]2CC[C@@H](Oc3cncc(Br)c3)C2)CC1 ZINC000602886101 568005741 /nfs/dbraw/zinc/00/57/41/568005741.db2.gz JCAZKSRLLRWFRA-UONOGXRCSA-N 1 0 366.259 2.352 20 30 FEEDRO Cn1cc([C@@H]2C[N@H+](C[C@@H](O)COc3ccc(C#N)cc3)CC2(C)C)cn1 ZINC000568468361 568041506 /nfs/dbraw/zinc/04/15/06/568041506.db2.gz VYEUQALHOKRWCE-MJGOQNOKSA-N 1 0 354.454 2.157 20 30 FEEDRO C[C@@H]1CN(C(=O)Nc2ccc(OCCC[NH+](C)C)cc2)C[C@H](C)N1CC#N ZINC000602831870 568048050 /nfs/dbraw/zinc/04/80/50/568048050.db2.gz KMXYROPXKQKNMS-CALCHBBNSA-N 1 0 373.501 2.467 20 30 FEEDRO CC1(C)[C@H](NC(=O)c2ccc(C3(C#N)CC3)cc2)C[C@@H]1N1CCOCC1 ZINC000603117812 568063666 /nfs/dbraw/zinc/06/36/66/568063666.db2.gz PMTZBQWCMNBCKF-MSOLQXFVSA-N 1 0 353.466 2.471 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1ccc(-n2ccnc2)nn1)C(C)C ZINC000603287928 568083059 /nfs/dbraw/zinc/08/30/59/568083059.db2.gz YNWWGEVHTHPENA-QGZVFWFLSA-N 1 0 354.458 2.091 20 30 FEEDRO C=C[C@@](C)(O)C(=O)NCc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1 ZINC000669168849 568192300 /nfs/dbraw/zinc/19/23/00/568192300.db2.gz QNXFGCFCKDXWHD-QGZVFWFLSA-N 1 0 371.403 2.010 20 30 FEEDRO C=C[C@](C)(O)C(=O)NCc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1 ZINC000669168848 568192335 /nfs/dbraw/zinc/19/23/35/568192335.db2.gz QNXFGCFCKDXWHD-KRWDZBQOSA-N 1 0 371.403 2.010 20 30 FEEDRO C[C@@](CO)(C[NH2+]C[C@H](O)COc1ccc(C#N)cc1)Cc1ccccc1 ZINC000568983323 568260942 /nfs/dbraw/zinc/26/09/42/568260942.db2.gz HOBWBZSQSXDKNJ-FPOVZHCZSA-N 1 0 354.450 2.129 20 30 FEEDRO CC(C)Oc1ccc(C[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)cc1 ZINC000569169665 568299380 /nfs/dbraw/zinc/29/93/80/568299380.db2.gz XPAWDPQZPGFZCF-UHFFFAOYSA-N 1 0 359.451 2.304 20 30 FEEDRO CC(C)[C@@H]([NH3+])CCN(C)S(=O)(=O)c1cccc(Br)c1C#N ZINC000569339748 568395227 /nfs/dbraw/zinc/39/52/27/568395227.db2.gz PSNASUNYXGAFHI-ZDUSSCGKSA-N 1 0 374.304 2.315 20 30 FEEDRO N#Cc1ccc(N2CCC[C@@H](NC(=O)N(C3CC3)[C@H]3CC[NH2+]C3)C2)c(F)c1 ZINC000570146770 568454955 /nfs/dbraw/zinc/45/49/55/568454955.db2.gz UHAZTXSTWQGRPL-WBVHZDCISA-N 1 0 371.460 2.202 20 30 FEEDRO C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)NCC[N@@H+](CC)C1CC1 ZINC000735419914 598304977 /nfs/dbraw/zinc/30/49/77/598304977.db2.gz JYPNLEFFSRMXNE-UHFFFAOYSA-N 1 0 369.473 2.049 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](C)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000735399219 598370613 /nfs/dbraw/zinc/37/06/13/598370613.db2.gz QPNLIERFMAPIIX-AWEZNQCLSA-N 1 0 369.473 2.267 20 30 FEEDRO C[N@H+](CC1CC1)C[C@H]1CCN(S(=O)(=O)c2ccc(C#N)c(F)c2)C1 ZINC000557599264 674456779 /nfs/dbraw/zinc/45/67/79/674456779.db2.gz AWONLYGDTSLLNX-CQSZACIVSA-N 1 0 351.447 2.050 20 30 FEEDRO C[C@@H]([NH2+]CCC(=O)Nc1cccc(-c2nn[nH]n2)c1)c1ccc(C#N)cc1 ZINC000820420155 599302542 /nfs/dbraw/zinc/30/25/42/599302542.db2.gz NEBWSNCUNVOQHP-CYBMUJFWSA-N 1 0 361.409 2.418 20 30 FEEDRO C=CCC[C@H]([NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1ccccc1 ZINC000819734493 607390402 /nfs/dbraw/zinc/39/04/02/607390402.db2.gz PEHTUXSUMQUFMU-YOEHRIQHSA-N 1 0 364.457 2.402 20 30 FEEDRO CCN(CCC#N)S(=O)(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000558782530 674515792 /nfs/dbraw/zinc/51/57/92/674515792.db2.gz NOXZAUYWKJIBOC-OAHLLOKOSA-N 1 0 358.895 2.013 20 30 FEEDRO C[NH+]1CCN(CCOc2ccc(NCc3nc(C#N)cs3)cc2)CC1 ZINC000810147696 674534852 /nfs/dbraw/zinc/53/48/52/674534852.db2.gz PACAIIYCIICVBL-UHFFFAOYSA-N 1 0 357.483 2.253 20 30 FEEDRO C[C@H]([NH2+]CCC(=O)Nc1sccc1-c1nn[nH]n1)c1cccc(C#N)c1 ZINC000824584907 608484532 /nfs/dbraw/zinc/48/45/32/608484532.db2.gz JJTKONJVSYGXBE-NSHDSACASA-N 1 0 367.438 2.479 20 30 FEEDRO N#Cc1cccc(C[NH2+][C@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)c1 ZINC000826386489 609413679 /nfs/dbraw/zinc/41/36/79/609413679.db2.gz HFWCWAPERHINGP-SFHVURJKSA-N 1 0 373.420 2.024 20 30 FEEDRO N#Cc1ccc(N2CCC([NH2+]CCC3CCS(=O)(=O)CC3)CC2)cc1 ZINC000560544215 674598587 /nfs/dbraw/zinc/59/85/87/674598587.db2.gz HZZCFIWTLVBESB-UHFFFAOYSA-N 1 0 361.511 2.332 20 30 FEEDRO CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)OCC(=O)NC2(C#N)CCCCC2)C1 ZINC000811445992 674604521 /nfs/dbraw/zinc/60/45/21/674604521.db2.gz BOCJVUVLWUPCDF-GOSISDBHSA-N 1 0 353.438 2.085 20 30 FEEDRO N#CC1(NC(=O)C[NH2+][C@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)CCC1 ZINC000561347822 674658862 /nfs/dbraw/zinc/65/88/62/674658862.db2.gz JNXJZKYYJJPGRB-HOCLYGCPSA-N 1 0 351.809 2.461 20 30 FEEDRO CC[C@@H](C#N)Oc1cc(C[NH2+]C2CCS(=O)(=O)CC2)ccc1OC ZINC000812832005 674701033 /nfs/dbraw/zinc/70/10/33/674701033.db2.gz PLBULRCRICKFEP-HNNXBMFYSA-N 1 0 352.456 2.043 20 30 FEEDRO C=CCNC(=O)C[N@H+]1CCCC[C@H]1[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000815203970 674929986 /nfs/dbraw/zinc/92/99/86/674929986.db2.gz PCLXSNXLIIKMNM-CVEARBPZSA-N 1 0 351.491 2.400 20 30 FEEDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1S(=O)(=O)Cc1ccc(C#N)cc1F ZINC000563720168 674932874 /nfs/dbraw/zinc/93/28/74/674932874.db2.gz ACVPSAQDYBGMCS-CXAGYDPISA-N 1 0 351.447 2.086 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@H]1C[N@H+](Cc2csc(C)c2)C[C@@H]1O ZINC001047561414 674960803 /nfs/dbraw/zinc/96/08/03/674960803.db2.gz IYXHMMNNZANLIK-XSLAGTTESA-N 1 0 364.511 2.041 20 30 FEEDRO CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)CCN1c1nc(C#N)c(Cl)s1 ZINC001048586728 675011352 /nfs/dbraw/zinc/01/13/52/675011352.db2.gz BAPKTWRZYQGLCT-CYZMBNFOSA-N 1 0 367.906 2.236 20 30 FEEDRO CCNC(=S)C(C(=O)c1[nH]c(C)c(C(=O)OC)c1C)[n+]1ccccc1 ZINC000022686714 670042937 /nfs/dbraw/zinc/04/29/37/670042937.db2.gz KBBMUXSRYYUGTM-UHFFFAOYSA-O 1 0 360.459 2.254 20 30 FEEDRO CC(C)(O)C[N@H+](CCC(=O)Nc1sccc1C#N)C1CCOCC1 ZINC000565281419 675108024 /nfs/dbraw/zinc/10/80/24/675108024.db2.gz ZNGQCTIAFQSTAD-UHFFFAOYSA-N 1 0 351.472 2.200 20 30 FEEDRO C=CCSc1ccccc1NC(=O)C[NH2+][C@@H](CO)C1CCOCC1 ZINC000569280259 670536222 /nfs/dbraw/zinc/53/62/22/670536222.db2.gz AYEXFIKOBHAESL-INIZCTEOSA-N 1 0 350.484 2.280 20 30 FEEDRO C=CCOc1c(Br)cc(C[NH2+]C[C@@H]2CCC(=O)N2)cc1OC ZINC000076760148 670555322 /nfs/dbraw/zinc/55/53/22/670555322.db2.gz SHKWGRFHNSDMDA-LBPRGKRZSA-N 1 0 369.259 2.391 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNc1ccc(S(N)(=O)=O)cc1C#N)C(C)C ZINC000078601778 670590163 /nfs/dbraw/zinc/59/01/63/670590163.db2.gz JDMVNOCJPDRHPV-GOSISDBHSA-N 1 0 362.499 2.316 20 30 FEEDRO N#Cc1ccc2ncc(C[NH2+]CCCn3cc(Br)cn3)n2c1 ZINC000569681119 670595812 /nfs/dbraw/zinc/59/58/12/670595812.db2.gz POKBTVCPLHYJCP-UHFFFAOYSA-N 1 0 359.231 2.345 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000084599912 670671578 /nfs/dbraw/zinc/67/15/78/670671578.db2.gz YKNVXJFODFCQEN-OAHLLOKOSA-N 1 0 364.511 2.350 20 30 FEEDRO CN(CCC#N)C(=O)CC[NH+]1CCC(N(C)C(=O)OC(C)(C)C)CC1 ZINC000092796445 670744867 /nfs/dbraw/zinc/74/48/67/670744867.db2.gz ZYQZTEYZNLVGPC-UHFFFAOYSA-N 1 0 352.479 2.080 20 30 FEEDRO C[NH+](C)CCN(Cc1ccco1)S(=O)(=O)Cc1ccc(CC#N)cc1 ZINC000570922977 670788094 /nfs/dbraw/zinc/78/80/94/670788094.db2.gz BWZBKJXWXSHDGU-UHFFFAOYSA-N 1 0 361.467 2.239 20 30 FEEDRO C[C@@H]1CCCN(C(=[NH2+])NC[C@@H](O)COc2cccc(C(F)(F)F)c2)C1 ZINC000104179979 670790964 /nfs/dbraw/zinc/79/09/64/670790964.db2.gz KCPFLYFUSSGGED-TZMCWYRMSA-N 1 0 359.392 2.492 20 30 FEEDRO [NH2+]=C(NC[C@@H](c1cccc(Cl)c1)N1CCOCC1)N1CCSCC1 ZINC000104192754 670791167 /nfs/dbraw/zinc/79/11/67/670791167.db2.gz DHYCPHQQAHCZJI-INIZCTEOSA-N 1 0 368.934 2.077 20 30 FEEDRO CC(C)C[N@@H+]1CCC[C@@H](CNCCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000570955800 670792648 /nfs/dbraw/zinc/79/26/48/670792648.db2.gz HWQMXJXFDBQOTF-SFHVURJKSA-N 1 0 363.527 2.290 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)NC[C@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000111641773 670860070 /nfs/dbraw/zinc/86/00/70/670860070.db2.gz MBBMLOWWAHUELS-INIZCTEOSA-N 1 0 355.265 2.488 20 30 FEEDRO C[C@H](Cc1cccc(Br)c1)[NH2+]C[C@H](O)CN(C)CCC#N ZINC000572223565 670974663 /nfs/dbraw/zinc/97/46/63/670974663.db2.gz GQBAKKYSRXTMNA-CJNGLKHVSA-N 1 0 354.292 2.176 20 30 FEEDRO Cc1ncsc1CN(C[C@@H]1CC[NH2+]C1)C(=O)c1ccc(C#N)c(C)n1 ZINC000572731439 671038219 /nfs/dbraw/zinc/03/82/19/671038219.db2.gz YNLNGYXLQSCBAT-CQSZACIVSA-N 1 0 355.467 2.279 20 30 FEEDRO CSCc1cccc(C[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)c1 ZINC000566131881 675184636 /nfs/dbraw/zinc/18/46/36/675184636.db2.gz QLJGPTZIWNIQJG-UHFFFAOYSA-N 1 0 361.492 2.380 20 30 FEEDRO C[NH+]1CCC([C@H]2CCN(S(=O)(=O)Cc3ccc(CC#N)cc3)C2)CC1 ZINC000574633878 671262698 /nfs/dbraw/zinc/26/26/98/671262698.db2.gz DCWOILPEGVTVFO-IBGZPJMESA-N 1 0 361.511 2.246 20 30 FEEDRO N#Cc1c(Br)cccc1OCC(=O)N1CC[NH+]2CCC1CC2 ZINC000575955853 671333488 /nfs/dbraw/zinc/33/34/88/671333488.db2.gz SGEPFFCCPWXOGJ-UHFFFAOYSA-N 1 0 364.243 2.006 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H]2C[C@H]2c2c(F)cccc2F)nc1 ZINC000576459553 671370221 /nfs/dbraw/zinc/37/02/21/671370221.db2.gz LQTBIEZBQCVTNA-IUODEOHRSA-N 1 0 363.389 2.151 20 30 FEEDRO N#CCc1ccc(S(=O)(=O)N2CC[C@H]([NH+]3CCCC3)C2)c(Cl)c1 ZINC000576701373 671388209 /nfs/dbraw/zinc/38/82/09/671388209.db2.gz CBLHFLARSMYDKF-AWEZNQCLSA-N 1 0 353.875 2.265 20 30 FEEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000577221341 671425556 /nfs/dbraw/zinc/42/55/56/671425556.db2.gz GKGURFIHMGZHAP-ZDUSSCGKSA-N 1 0 355.891 2.174 20 30 FEEDRO Cc1csc(NC2CC[NH+](C[C@H]3CNc4c(C#N)cnn4C3)CC2)n1 ZINC000579474551 671738538 /nfs/dbraw/zinc/73/85/38/671738538.db2.gz DNEJVKVNAOKSNG-CYBMUJFWSA-N 1 0 357.487 2.138 20 30 FEEDRO CN(CCC#N)C[C@H](O)C[NH2+]C[C@@H](c1cccc(Cl)c1)N1CCCC1 ZINC000580408010 671804358 /nfs/dbraw/zinc/80/43/58/671804358.db2.gz GTAJWTUQVOAULJ-MOPGFXCFSA-N 1 0 364.921 2.273 20 30 FEEDRO CCCNC(=[NH2+])NCc1ccc(Br)cc1N1CCOCC1 ZINC000119555272 671902368 /nfs/dbraw/zinc/90/23/68/671902368.db2.gz FIQXKVXRYSWVKW-UHFFFAOYSA-N 1 0 355.280 2.100 20 30 FEEDRO C#CCSCCNC(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1 ZINC000121482677 671950563 /nfs/dbraw/zinc/95/05/63/671950563.db2.gz BPCSANFAMCRCQY-UHFFFAOYSA-N 1 0 355.454 2.404 20 30 FEEDRO CC[NH+]=C(NCCNC(=O)c1ccccc1F)N1CCSC(C)(C)C1 ZINC000125187258 672007943 /nfs/dbraw/zinc/00/79/43/672007943.db2.gz QHOMNNYBIDSDNU-UHFFFAOYSA-N 1 0 366.506 2.348 20 30 FEEDRO N#CCCC[C@@H]([NH3+])C(=O)N[C@@H]1CCN(c2ccccc2Br)C1 ZINC000582961739 672050058 /nfs/dbraw/zinc/05/00/58/672050058.db2.gz BDZGPTPWPMBBSA-TZMCWYRMSA-N 1 0 365.275 2.165 20 30 FEEDRO C=CCn1c(=S)n(CN2CC[NH+](C3CC3)CC2)nc1-c1ccncc1 ZINC000129113320 672057012 /nfs/dbraw/zinc/05/70/12/672057012.db2.gz QVZARYSYYQGKOL-UHFFFAOYSA-N 1 0 356.499 2.400 20 30 FEEDRO COCC[N@H+]1[C@H](C)CN(CC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@@H]1C ZINC000129329835 672060905 /nfs/dbraw/zinc/06/09/05/672060905.db2.gz MWKSYCSCCOFBDF-OKILXGFUSA-N 1 0 364.877 2.191 20 30 FEEDRO CC(C)(C)[N@H+](CCC(=O)Nc1sccc1C#N)CCS(C)(=O)=O ZINC000131593398 672090036 /nfs/dbraw/zinc/09/00/36/672090036.db2.gz YATWNYZAUZMTFC-UHFFFAOYSA-N 1 0 357.501 2.093 20 30 FEEDRO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+](C)C2CCC(F)(F)CC2)CC1 ZINC000583923546 672139651 /nfs/dbraw/zinc/13/96/51/672139651.db2.gz UKFLLVWBVONQFV-INIZCTEOSA-N 1 0 356.461 2.188 20 30 FEEDRO CC[NH+](CC)CCCNC(=O)C1CCN(Cc2nc(C#N)cs2)CC1 ZINC000584333498 672177666 /nfs/dbraw/zinc/17/76/66/672177666.db2.gz KXYDQCBZYZBFHC-UHFFFAOYSA-N 1 0 363.531 2.075 20 30 FEEDRO N#CC1(CS(=O)(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC000584689343 672205938 /nfs/dbraw/zinc/20/59/38/672205938.db2.gz JDPQNJTVGCDCGV-MSOLQXFVSA-N 1 0 359.495 2.074 20 30 FEEDRO N#CCN1CCC([NH2+]Cc2cccc(I)c2)CC1 ZINC000585742028 672229591 /nfs/dbraw/zinc/22/95/91/672229591.db2.gz XDZMBBSYRMRDGP-UHFFFAOYSA-N 1 0 355.223 2.369 20 30 FEEDRO COc1ccccc1CNC(=[NH2+])NCC(C)(C)NC(=O)OC(C)(C)C ZINC000177677284 672385054 /nfs/dbraw/zinc/38/50/54/672385054.db2.gz RQCKOJVRRANIQP-UHFFFAOYSA-N 1 0 350.463 2.403 20 30 FEEDRO COc1cc(CON=C(N)C[N@@H+]2CCCC[C@H]2C)c([N+](=O)[O-])cc1F ZINC000183964644 672486759 /nfs/dbraw/zinc/48/67/59/672486759.db2.gz VWEKNTLPSVATDI-LLVKDONJSA-N 1 0 354.382 2.406 20 30 FEEDRO CS[C@@H]1CN(C(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)C[C@@H]1[NH+](C)C ZINC000611217545 676025981 /nfs/dbraw/zinc/02/59/81/676025981.db2.gz KWOSBLDVNCKCPC-OKZBNKHCSA-N 1 0 358.511 2.031 20 30 FEEDRO COCC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(Br)cc2C#N)C1 ZINC000590633204 672598166 /nfs/dbraw/zinc/59/81/66/672598166.db2.gz ARLUOJGUAGXNFR-CQSZACIVSA-N 1 0 366.259 2.161 20 30 FEEDRO COC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000590753037 672610565 /nfs/dbraw/zinc/61/05/65/672610565.db2.gz ZBJQYIHPRWGUQH-QKCSRTOESA-N 1 0 361.467 2.367 20 30 FEEDRO CCOC1CC(CCNC(=[NH2+])N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000190136122 672631477 /nfs/dbraw/zinc/63/14/77/672631477.db2.gz VNXZDVWTGBXPJS-UHFFFAOYSA-N 1 0 354.495 2.059 20 30 FEEDRO CN(CCC#N)C(=O)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C ZINC000191171357 672660701 /nfs/dbraw/zinc/66/07/01/672660701.db2.gz RNBLDNCWEVZWPF-HUUCEWRRSA-N 1 0 352.479 2.174 20 30 FEEDRO C[C@H](OC[C@@H](O)C[NH2+]C1CCN(CC#N)CC1)c1ccc(Cl)cc1 ZINC000591736332 672706677 /nfs/dbraw/zinc/70/66/77/672706677.db2.gz OZBWVZVPBIUDDQ-KSSFIOAISA-N 1 0 351.878 2.356 20 30 FEEDRO CN(CCC#N)C[C@H](O)C[NH2+]Cc1cc(Cl)cc(Br)c1 ZINC000591771031 672709854 /nfs/dbraw/zinc/70/98/54/672709854.db2.gz MUQKGBHXRMIGJV-CQSZACIVSA-N 1 0 360.683 2.398 20 30 FEEDRO C[N@H+]1C[C@@H](c2ccccc2)[C@H](CNS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000592089482 672752804 /nfs/dbraw/zinc/75/28/04/672752804.db2.gz VTSCFGMGZFXEEZ-MJGOQNOKSA-N 1 0 355.463 2.182 20 30 FEEDRO C[C@H](NC(=O)CSCC#N)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000194859933 672769860 /nfs/dbraw/zinc/76/98/60/672769860.db2.gz KEEYQJVZHGIJKK-ZDUSSCGKSA-N 1 0 350.463 2.011 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)CNC(=O)c2cc3c(s2)CCCC3)CC1 ZINC000592313422 672785619 /nfs/dbraw/zinc/78/56/19/672785619.db2.gz JUBVAVRFLNOWAU-UHFFFAOYSA-N 1 0 361.511 2.123 20 30 FEEDRO C=CC[C@H](CO)[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000682730739 672787771 /nfs/dbraw/zinc/78/77/71/672787771.db2.gz MSGBRDKJFPBNCY-OAHLLOKOSA-N 1 0 355.276 2.312 20 30 FEEDRO C[C@H]1CCCN(S(=O)(=O)c2cccc(Br)c2C#N)[C@H]1C[NH3+] ZINC000592370512 672793095 /nfs/dbraw/zinc/79/30/95/672793095.db2.gz JGYQTOIPDHHZHI-GWCFXTLKSA-N 1 0 372.288 2.069 20 30 FEEDRO C[NH+]=C(NC[C@H](C)N1CCc2sccc2C1)N(C)C[C@@H]1CCOC1 ZINC000261623308 672900385 /nfs/dbraw/zinc/90/03/85/672900385.db2.gz IGMPPYXJGBAQOE-GJZGRUSLSA-N 1 0 350.532 2.038 20 30 FEEDRO CC[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)N[C@@H]1CCC[C@H]([S@](=O)CC)C1 ZINC000261688179 672901394 /nfs/dbraw/zinc/90/13/94/672901394.db2.gz IFXFRJYQFIFNOJ-VCYRKGARSA-N 1 0 369.575 2.435 20 30 FEEDRO CCc1nsc(N2CCN(C(NCC3(C)CCCC3)=[NH+]C)CC2)n1 ZINC000261743939 672902136 /nfs/dbraw/zinc/90/21/36/672902136.db2.gz KZLCUECXFLWKAC-UHFFFAOYSA-N 1 0 350.536 2.378 20 30 FEEDRO CC[C@]1(C)CCN(C(NCCN(C)S(=O)(=O)c2cccs2)=[NH+]C)C1 ZINC000261862320 672904393 /nfs/dbraw/zinc/90/43/93/672904393.db2.gz ZMHHALONZSEMBP-MRXNPFEDSA-N 1 0 372.560 2.066 20 30 FEEDRO C[NH+]=C(NC[C@]1(N(C)C)CCSC1)N(C)Cc1cc(Cl)cn1C ZINC000261950231 672905961 /nfs/dbraw/zinc/90/59/61/672905961.db2.gz HEWHVWBILFYJFZ-MRXNPFEDSA-N 1 0 357.955 2.123 20 30 FEEDRO C[NH+]=C(NCc1c(F)cccc1Cl)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261969870 672906367 /nfs/dbraw/zinc/90/63/67/672906367.db2.gz MNEFAVSRWQKACE-UHFFFAOYSA-N 1 0 361.870 2.064 20 30 FEEDRO C[NH+]=C(NC[C@H](C)N1CCc2sccc2C1)N1CC[C@]2(CCOC2)C1 ZINC000261974426 672906599 /nfs/dbraw/zinc/90/65/99/672906599.db2.gz NJKHZSGPMVYMBX-KXBFYZLASA-N 1 0 362.543 2.183 20 30 FEEDRO C[C@H]1CCCN(S(=O)(=O)c2ccc(C[NH+]=C(N(C)C)N(C)C)cc2)C1 ZINC000262012657 672907478 /nfs/dbraw/zinc/90/74/78/672907478.db2.gz USBCXUDGPPAVHV-HNNXBMFYSA-N 1 0 366.531 2.086 20 30 FEEDRO CCc1nnsc1C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593352723 672912798 /nfs/dbraw/zinc/91/27/98/672912798.db2.gz LTDMWPKMHIGSFR-UHFFFAOYSA-N 1 0 355.467 2.367 20 30 FEEDRO CCC[C@]1(C)CCCN(C(NC[C@@H]2CCS(=O)(=O)C2)=[NH+]C2CC2)C1 ZINC000262339498 672913513 /nfs/dbraw/zinc/91/35/13/672913513.db2.gz CIXWKNQPMVRALV-MAUKXSAKSA-N 1 0 355.548 2.431 20 30 FEEDRO CCOC(=O)C1CCC(NC(N[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)=[NH+]C)CC1 ZINC000262427031 672915649 /nfs/dbraw/zinc/91/56/49/672915649.db2.gz RSAGDLHBPBBTKS-UIEKQHFFSA-N 1 0 351.491 2.087 20 30 FEEDRO CC(C)C[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N1C[C@@H](C)CC(C)(C)C1 ZINC000262448779 672915992 /nfs/dbraw/zinc/91/59/92/672915992.db2.gz VRFDBYCGWOATLK-HOTGVXAUSA-N 1 0 357.564 2.391 20 30 FEEDRO C[NH+]=C(NCc1nc(C)c(C)s1)N[C@@H]1CCC[C@@H](C(=O)N(C)C)C1 ZINC000262690086 672919163 /nfs/dbraw/zinc/91/91/63/672919163.db2.gz VYTYIJFLHJIBAR-ZIAGYGMSSA-N 1 0 351.520 2.072 20 30 FEEDRO CC[NH+]=C(NCC1(SC)CCOCC1)N1CCC2(C1)CCOCC2 ZINC000262766510 672920560 /nfs/dbraw/zinc/92/05/60/672920560.db2.gz HMHKQJAAHAQNKM-UHFFFAOYSA-N 1 0 355.548 2.367 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)Cc1ccc2c(c1)OC(F)(F)O2 ZINC000593419811 672920805 /nfs/dbraw/zinc/92/08/05/672920805.db2.gz YJRKKRHJNRYXGY-UHFFFAOYSA-N 1 0 353.369 2.245 20 30 FEEDRO C[S@](=O)C1(CNC(=[NH2+])N2CCN(c3ccc(Cl)cc3)CC2)CCC1 ZINC000262800704 672921237 /nfs/dbraw/zinc/92/12/37/672921237.db2.gz MLQSNFAYECCGIA-DEOSSOPVSA-N 1 0 368.934 2.078 20 30 FEEDRO N#Cc1cc(Br)ccc1CC(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000593455471 672926056 /nfs/dbraw/zinc/92/60/56/672926056.db2.gz ULHMMJZKBBVOMR-MRXNPFEDSA-N 1 0 362.271 2.464 20 30 FEEDRO N#Cc1sccc1S(=O)(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000593565838 672945222 /nfs/dbraw/zinc/94/52/22/672945222.db2.gz AEGKELUHWHHBCO-JSGCOSHPSA-N 1 0 351.497 2.257 20 30 FEEDRO C[N@@H+]1CC[C@H]2CCN(C(=O)Cc3ccc(Br)cc3C#N)[C@@H]2C1 ZINC000593589995 672952559 /nfs/dbraw/zinc/95/25/59/672952559.db2.gz WPPPFVDUKIDWQG-BLLLJJGKSA-N 1 0 362.271 2.416 20 30 FEEDRO C=C(C)CNC(=[NH2+])NCCCNC(=O)c1ccc(Br)cc1 ZINC000303988313 673019790 /nfs/dbraw/zinc/01/97/90/673019790.db2.gz WKOSZTZWXLNEEI-UHFFFAOYSA-N 1 0 353.264 2.049 20 30 FEEDRO C[NH+]=C(NCCN1CCOCC1)NCC1(c2ccc(Cl)cc2)CCC1 ZINC000303988284 673019863 /nfs/dbraw/zinc/01/98/63/673019863.db2.gz WHWLONVKULTURS-UHFFFAOYSA-N 1 0 364.921 2.259 20 30 FEEDRO CCc1nc(CNC(=[NH2+])N2CCN(C(=O)OC(C)(C)C)CC2)cs1 ZINC000304764840 673020508 /nfs/dbraw/zinc/02/05/08/673020508.db2.gz YNOTYRVASZJEGK-UHFFFAOYSA-N 1 0 353.492 2.073 20 30 FEEDRO CC(C)C[C@H](CCO)CNC(=[NH2+])N1CCN(c2ccc(F)cc2)CC1 ZINC000304772846 673020903 /nfs/dbraw/zinc/02/09/03/673020903.db2.gz AVZAFRALLNJVNR-INIZCTEOSA-N 1 0 350.482 2.307 20 30 FEEDRO CC[NH+]1CCC(NC(=O)N2CCC(C(=O)Nc3nncs3)CC2)CC1 ZINC000328882292 673068836 /nfs/dbraw/zinc/06/88/36/673068836.db2.gz WZQYNEHCPFGICW-UHFFFAOYSA-N 1 0 366.491 2.236 20 30 FEEDRO C[C@H](C[NH+]1CCCCC1)NC(=O)N1CCN(Cc2cscn2)CC1 ZINC000328877806 673069092 /nfs/dbraw/zinc/06/90/92/673069092.db2.gz UICZULBHZRCOOZ-OAHLLOKOSA-N 1 0 351.520 2.049 20 30 FEEDRO CCCS(=O)(=O)Nc1cccc(NC(=O)[C@H]([NH3+])CCCCC#N)c1C ZINC000594431083 673071028 /nfs/dbraw/zinc/07/10/28/673071028.db2.gz HBRAQJIJJIHRSP-CQSZACIVSA-N 1 0 366.487 2.497 20 30 FEEDRO CO[C@H]1C[C@@H](C(N)=O)N(C(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)C1 ZINC000329045227 673071342 /nfs/dbraw/zinc/07/13/42/673071342.db2.gz JGLSVWALSDQBMY-VRKREXBASA-N 1 0 352.479 2.178 20 30 FEEDRO N#CCCCC[C@H]([NH3+])C(=O)NCCc1nc(-c2ccc(Cl)cc2)no1 ZINC000594434754 673071421 /nfs/dbraw/zinc/07/14/21/673071421.db2.gz SNDIDGZCUBZFIO-AWEZNQCLSA-N 1 0 361.833 2.460 20 30 FEEDRO CSCC[C@H](NC(=O)[C@@H]([NH3+])CCCCC#N)c1nnc2ccccn21 ZINC000594440612 673071701 /nfs/dbraw/zinc/07/17/01/673071701.db2.gz HAFRORKGDFQYLZ-KBPBESRZSA-N 1 0 360.487 2.051 20 30 FEEDRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)NCc2nccs2)CC1 ZINC000329125963 673072309 /nfs/dbraw/zinc/07/23/09/673072309.db2.gz TYTRIEDDBVNZRM-GASCZTMLSA-N 1 0 351.520 2.048 20 30 FEEDRO CCOC(=O)c1csc([C@@H]2CCCN2C(=O)[C@H]([NH3+])CCCCC#N)n1 ZINC000594456560 673074931 /nfs/dbraw/zinc/07/49/31/673074931.db2.gz QLINNNMSLZLVQW-OCCSQVGLSA-N 1 0 364.471 2.395 20 30 FEEDRO C[N@H+](CCNC(=O)N1CCN(C(=O)c2ccc(Cl)cc2)CC1)C1CC1 ZINC000329404144 673076445 /nfs/dbraw/zinc/07/64/45/673076445.db2.gz BJIVRSMDGPWZDJ-UHFFFAOYSA-N 1 0 364.877 2.106 20 30 FEEDRO C[C@@H]1C[NH+](CC2CCN(C(=O)NC[C@]3(C)CCOC3)CC2)C[C@@H](C)O1 ZINC000329560612 673079302 /nfs/dbraw/zinc/07/93/02/673079302.db2.gz RGZSONFJFUBCKE-MDZRGWNJSA-N 1 0 353.507 2.148 20 30 FEEDRO O=C(N[C@H]1CCOC2(CCOCC2)C1)N1CC[NH+](C2CCCC2)CC1 ZINC000330255762 673088138 /nfs/dbraw/zinc/08/81/38/673088138.db2.gz KCLPBERJOVSDPA-INIZCTEOSA-N 1 0 351.491 2.189 20 30 FEEDRO N#Cc1cccc(OC2CCN(C(=O)N[C@@H](C[NH3+])C(F)(F)F)CC2)c1 ZINC000594523948 673095147 /nfs/dbraw/zinc/09/51/47/673095147.db2.gz FOZCYRBACASWSG-AWEZNQCLSA-N 1 0 356.348 2.001 20 30 FEEDRO C[NH+](C)C1CCC2(CC1)CCN(S(=O)(=O)c1ccc(C#N)o1)CC2 ZINC000595347703 673229290 /nfs/dbraw/zinc/22/92/90/673229290.db2.gz RXJAJUXTMZCOTK-UHFFFAOYSA-N 1 0 351.472 2.426 20 30 FEEDRO CC(C)[C@H](C#N)N1CCN(C(=O)C[NH2+][C@@H](C)C2CCC(F)CC2)CC1 ZINC000595818791 673327703 /nfs/dbraw/zinc/32/77/03/673327703.db2.gz JNOAIRMTQABGBG-BFWZDYSYSA-N 1 0 352.498 2.185 20 30 FEEDRO N#Cc1ccc(CN2CCC([N@@H+]3CC[C@H](O)C3)CC2)c(OC(F)F)c1 ZINC000595865159 673331705 /nfs/dbraw/zinc/33/17/05/673331705.db2.gz FWKOQFCXNKMGKW-INIZCTEOSA-N 1 0 351.397 2.191 20 30 FEEDRO CC(C)c1ccc(C=NNC(=S)NCCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000731931179 673348488 /nfs/dbraw/zinc/34/84/88/673348488.db2.gz YVMWXYOORRONJT-UHFFFAOYSA-N 1 0 351.476 2.468 20 30 FEEDRO COc1cccc(C=NNC(=S)NCCC[NH+](C)C)c1OC(F)F ZINC000731930636 673348651 /nfs/dbraw/zinc/34/86/51/673348651.db2.gz GIRDNDAVXMTPFD-UHFFFAOYSA-N 1 0 360.430 2.046 20 30 FEEDRO C=CCOc1ccc(/C=C\C(=O)NCC[NH+]2CCSCC2)cc1OC ZINC000732777467 673381615 /nfs/dbraw/zinc/38/16/15/673381615.db2.gz OBSQJXRXWCPGEC-ALCCZGGFSA-N 1 0 362.495 2.438 20 30 FEEDRO C[N@H+](CCCOc1ccc(C#N)cc1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000732810991 673383936 /nfs/dbraw/zinc/38/39/36/673383936.db2.gz QHPUMEWYDVGVAV-HNNXBMFYSA-N 1 0 355.360 2.422 20 30 FEEDRO CS[C@H]1CN(c2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)C[C@@H]1[NH+](C)C ZINC000538096295 673421891 /nfs/dbraw/zinc/42/18/91/673421891.db2.gz IVDOJHNIJVBTTF-HOTGVXAUSA-N 1 0 357.439 2.496 20 30 FEEDRO CCN(C1CC[NH+](Cc2ccc(C3(C#N)CC3)cc2)CC1)S(C)(=O)=O ZINC000597021265 673440086 /nfs/dbraw/zinc/44/00/86/673440086.db2.gz LSOJNWFWPPFTMW-UHFFFAOYSA-N 1 0 361.511 2.488 20 30 FEEDRO COc1ccc(C=NNC(=S)NCCC[NH+](C)C)c(OC(F)F)c1 ZINC000734096793 673452033 /nfs/dbraw/zinc/45/20/33/673452033.db2.gz XHLJDNPYGBHWKJ-UHFFFAOYSA-N 1 0 360.430 2.046 20 30 FEEDRO CC(C)C[C@H](NC(=O)CC1(C#N)CCCCC1)C(=O)NCC[NH+](C)C ZINC000597448348 673479199 /nfs/dbraw/zinc/47/91/99/673479199.db2.gz DKDCAALEIFXMQR-INIZCTEOSA-N 1 0 350.507 2.059 20 30 FEEDRO N#Cc1ccc(C[NH2+]C[C@@H](O)COc2ccc3c(c2)CCC(=O)N3)s1 ZINC000539473350 673492151 /nfs/dbraw/zinc/49/21/51/673492151.db2.gz RJXUNVFGTKLXED-CYBMUJFWSA-N 1 0 357.435 2.034 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)OCC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000735937037 673508474 /nfs/dbraw/zinc/50/84/74/673508474.db2.gz CIOHBVLIXGKBFG-UHFFFAOYSA-N 1 0 359.813 2.039 20 30 FEEDRO CC(C)[C@H]1CN(C(=O)Cc2ccc(Br)cc2C#N)CC[NH2+]1 ZINC000598571124 673585090 /nfs/dbraw/zinc/58/50/90/673585090.db2.gz GNVPDOXPZGSXJI-OAHLLOKOSA-N 1 0 350.260 2.320 20 30 FEEDRO Cc1cc2c(ncnc2N2CC[NH+](C[C@H](O)CC(C)(C)C#N)CC2)s1 ZINC000598607925 673589539 /nfs/dbraw/zinc/58/95/39/673589539.db2.gz OHQRUENONGPWFJ-CQSZACIVSA-N 1 0 359.499 2.423 20 30 FEEDRO CC(C)(C)OC(=O)CC[N@H+](C[C@H](O)CC(C)(C)C#N)C1CCOCC1 ZINC000598624423 673591981 /nfs/dbraw/zinc/59/19/81/673591981.db2.gz HCJSJEZAMBHEHQ-MRXNPFEDSA-N 1 0 354.491 2.500 20 30 FEEDRO CC(C)(C#N)C[C@@H](O)C[NH2+]C[C@H](O)COc1ccccc1Br ZINC000598730601 673604281 /nfs/dbraw/zinc/60/42/81/673604281.db2.gz XCVBPMUWAGZQIR-OLZOCXBDSA-N 1 0 371.275 2.079 20 30 FEEDRO N#CC1(C[C@@H](O)C[N@@H+]2CCC[C@@H](OCC(F)(F)F)C2)CCOCC1 ZINC000599297625 673655598 /nfs/dbraw/zinc/65/55/98/673655598.db2.gz NYZQYEJGNVZIBY-ZIAGYGMSSA-N 1 0 350.381 2.101 20 30 FEEDRO C[NH+]1CCC(C#N)(NC(=O)[C@H]2[C@@H]3c4cccc(Br)c4C[C@H]23)CC1 ZINC000599381430 673666943 /nfs/dbraw/zinc/66/69/43/673666943.db2.gz YEUFITQIUVWDLT-NUEKZKHPSA-N 1 0 374.282 2.439 20 30 FEEDRO COc1cc(NC(=O)NC[C@]2([NH+](C)C)CCSC2)c(F)cc1C#N ZINC000599820149 673720298 /nfs/dbraw/zinc/72/02/98/673720298.db2.gz VIZQGZLPCGLQKP-MRXNPFEDSA-N 1 0 352.435 2.265 20 30 FEEDRO CCS(=O)(=O)N1CCC(C[NH2+][C@H](C)c2ccc(C#N)cc2F)CC1 ZINC000544604488 673720338 /nfs/dbraw/zinc/72/03/38/673720338.db2.gz UUYNGDSLIBCKIF-CYBMUJFWSA-N 1 0 353.463 2.410 20 30 FEEDRO N#Cc1c(F)cccc1S(=O)(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000742301139 673720588 /nfs/dbraw/zinc/72/05/88/673720588.db2.gz KZTNZENQHACCRU-AWEZNQCLSA-N 1 0 351.447 2.336 20 30 FEEDRO CNS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2cccc(OCCCC#N)c2)C1 ZINC000600214181 673749674 /nfs/dbraw/zinc/74/96/74/673749674.db2.gz SPEZZQOAPOMXFF-QGZVFWFLSA-N 1 0 365.499 2.130 20 30 FEEDRO COc1ccc(C[NH2+]C(C)(C)CS(C)(=O)=O)cc1OCCCC#N ZINC000545872773 673779488 /nfs/dbraw/zinc/77/94/88/673779488.db2.gz RCANDLTYZRRQJT-UHFFFAOYSA-N 1 0 354.472 2.291 20 30 FEEDRO N#CC1(C[C@@H](O)C[NH2+]CCc2nc(C(F)(F)F)cs2)CCOCC1 ZINC000600725565 673794872 /nfs/dbraw/zinc/79/48/72/673794872.db2.gz CRHNDFFGHLYUPF-LLVKDONJSA-N 1 0 363.405 2.365 20 30 FEEDRO C[C@@]1(C[NH2+]C[C@@H](O)COc2ccccc2C#N)OCCc2sccc21 ZINC000600739759 673795593 /nfs/dbraw/zinc/79/55/93/673795593.db2.gz FHHGBUFMBZCZLM-BEFAXECRSA-N 1 0 358.463 2.437 20 30 FEEDRO C[C@@]1(C[NH2+]C[C@H](O)COc2ccccc2C#N)OCCc2sccc21 ZINC000600739764 673795863 /nfs/dbraw/zinc/79/58/63/673795863.db2.gz FHHGBUFMBZCZLM-KXBFYZLASA-N 1 0 358.463 2.437 20 30 FEEDRO N#CC1(C[C@@H](O)C[NH2+]C[C@H](CO)Cc2cccc(Br)c2)CC1 ZINC000600745883 673796138 /nfs/dbraw/zinc/79/61/38/673796138.db2.gz IDCMNZYTWONKIY-GDBMZVCRSA-N 1 0 367.287 2.244 20 30 FEEDRO CN(CCC#N)C[C@@H](O)C[NH2+][C@@H](CCO)c1cc(Cl)cc(Cl)c1 ZINC000600758406 673796978 /nfs/dbraw/zinc/79/69/78/673796978.db2.gz DGVPTZLEQZZIGV-HOTGVXAUSA-N 1 0 360.285 2.213 20 30 FEEDRO C[NH+]1CCN(c2ccnc(-c3noc(-c4ccc(C#N)s4)n3)c2)CC1 ZINC000546504740 673801190 /nfs/dbraw/zinc/80/11/90/673801190.db2.gz FBNVKWSMHHGFGG-UHFFFAOYSA-N 1 0 352.423 2.484 20 30 FEEDRO Cc1cc(F)cc(C#N)c1S(=O)(=O)N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000601414921 673858445 /nfs/dbraw/zinc/85/84/45/673858445.db2.gz MFAQSRJUQONQFC-XJKSGUPXSA-N 1 0 351.447 2.253 20 30 FEEDRO Cc1ccc(C#N)cc1S(=O)(=O)N1CCCN(c2cc[nH+]cc2)CC1 ZINC000601520536 673876341 /nfs/dbraw/zinc/87/63/41/673876341.db2.gz LWGVJCUPHAJUJT-UHFFFAOYSA-N 1 0 356.451 2.163 20 30 FEEDRO N#Cc1ccc(NC(=O)N2CCC([NH2+]CCO)CC2)cc1C(F)(F)F ZINC000601560800 673881747 /nfs/dbraw/zinc/88/17/47/673881747.db2.gz NETFOOWAMIMYRA-UHFFFAOYSA-N 1 0 356.348 2.155 20 30 FEEDRO N#Cc1c(NC(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)nc2n1CCS2 ZINC000602260628 673903863 /nfs/dbraw/zinc/90/38/63/673903863.db2.gz MUYOWXXAPVLXFL-AWEZNQCLSA-N 1 0 353.451 2.321 20 30 FEEDRO COCC[C@H]([NH3+])Cc1cn(Cc2ccc(C#N)cc2C(F)(F)F)nn1 ZINC000603252069 673920187 /nfs/dbraw/zinc/92/01/87/673920187.db2.gz UOCCERZJKKYVFY-ZDUSSCGKSA-N 1 0 353.348 2.123 20 30 FEEDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)Nc1ccc(C#N)cc1CS(N)(=O)=O ZINC000603279557 673921521 /nfs/dbraw/zinc/92/15/21/673921521.db2.gz FOYSPVGKIPSMNP-ZNMIVQPWSA-N 1 0 364.515 2.125 20 30 FEEDRO C[C@H](CNS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1)[NH+]1CCCC1 ZINC000548820677 673998038 /nfs/dbraw/zinc/99/80/38/673998038.db2.gz DWCOUPXMCGMPDQ-LLVKDONJSA-N 1 0 361.389 2.340 20 30 FEEDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNCCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000548908173 674005506 /nfs/dbraw/zinc/00/55/06/674005506.db2.gz CJBBKKZNHWBDIT-CALCHBBNSA-N 1 0 363.527 2.290 20 30 FEEDRO O=C(NCC[NH2+]C[C@@H](O)c1ccc(Cl)cc1Cl)C1N=CC=CC1=O ZINC000819049624 675255448 /nfs/dbraw/zinc/25/54/48/675255448.db2.gz MFOBWPLDLUPBTG-PQDJCJPTSA-N 1 0 370.236 2.143 20 30 FEEDRO N#CCc1ccc(OC[C@H](O)C[NH2+][C@@H]2CC[C@@H]3SCCS[C@H]23)cc1 ZINC000819196999 675268999 /nfs/dbraw/zinc/26/89/99/675268999.db2.gz GPGBWFKFQJIDPT-NRSFXHEJSA-N 1 0 364.536 2.462 20 30 FEEDRO C[NH+]1CCC2(CCCN2C(=O)C(=O)Nc2ccc(C#N)cc2Cl)CC1 ZINC000615344929 676212816 /nfs/dbraw/zinc/21/28/16/676212816.db2.gz BNNGCPSJTNFMLN-UHFFFAOYSA-N 1 0 360.845 2.237 20 30 FEEDRO CCC[NH+]1CCN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)CC1 ZINC000819238290 675272759 /nfs/dbraw/zinc/27/27/59/675272759.db2.gz XPTFOEQLHLSXQQ-HNNXBMFYSA-N 1 0 352.479 2.128 20 30 FEEDRO C[N@@H+]1CCC[C@@H](CNC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)C1 ZINC000819256198 675274459 /nfs/dbraw/zinc/27/44/59/675274459.db2.gz JVKHNBYRLMQVTG-GJZGRUSLSA-N 1 0 352.479 2.032 20 30 FEEDRO CS(=O)(=O)c1ccc([C@H](O)C[NH2+][C@@H]2CCc3cc(C#N)ccc32)cc1 ZINC000819271955 675276226 /nfs/dbraw/zinc/27/62/26/675276226.db2.gz YKWIOUZIOONEJB-RTBURBONSA-N 1 0 356.447 2.272 20 30 FEEDRO C#CC[C@@H](Cc1ccccc1)[NH2+]C[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000819304343 675278952 /nfs/dbraw/zinc/27/89/52/675278952.db2.gz FPORQJNPGFELPR-AZUAARDMSA-N 1 0 357.475 2.348 20 30 FEEDRO CC(C)(C[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)c1cccc(F)c1 ZINC000567690018 675312953 /nfs/dbraw/zinc/31/29/53/675312953.db2.gz WWVZGRXQPDGIKI-UHFFFAOYSA-N 1 0 361.442 2.433 20 30 FEEDRO CO[C@@H](C[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)Cc1ccccc1 ZINC000567697648 675313758 /nfs/dbraw/zinc/31/37/58/675313758.db2.gz ARJWTSZXQZYIRD-GOSISDBHSA-N 1 0 358.463 2.179 20 30 FEEDRO C=CCS(=O)(=O)CC[NH2+]C1CCN([C@@H](C)Cc2ccccc2)CC1 ZINC000824143470 675585808 /nfs/dbraw/zinc/58/58/08/675585808.db2.gz VCYVFPCEGTWRER-KRWDZBQOSA-N 1 0 350.528 2.272 20 30 FEEDRO C#CCN(CC(=O)NC1CC[NH+](CC(C)C)CC1)C(=O)OC(C)(C)C ZINC000824240812 675591119 /nfs/dbraw/zinc/59/11/19/675591119.db2.gz NMQCSLJOZFDDJG-UHFFFAOYSA-N 1 0 351.491 2.093 20 30 FEEDRO C[C@H](C(=O)NCC#CC[NH+](C)C)c1ccc(I)cc1 ZINC000827971794 675789818 /nfs/dbraw/zinc/78/98/18/675789818.db2.gz HMKZISFSRLJXLL-LBPRGKRZSA-N 1 0 370.234 2.076 20 30 FEEDRO N#Cc1ccc(N2CC[NH+](C[C@@H]3CNc4ccnn4C3)CC2)c(Cl)c1 ZINC000619265089 676370306 /nfs/dbraw/zinc/37/03/06/676370306.db2.gz AQNOTLZSQZFUGC-HNNXBMFYSA-N 1 0 356.861 2.272 20 30 FEEDRO N#Cc1ccc(N2CCC[C@H]([N@H+](CCO)[C@@H]3CCCSC3)C2=O)cc1 ZINC000619569056 676385389 /nfs/dbraw/zinc/38/53/89/676385389.db2.gz FVELGEGARWUOAQ-MSOLQXFVSA-N 1 0 359.495 2.244 20 30 FEEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1S[C@@H](C=C)C(=O)OC ZINC000619688487 676390980 /nfs/dbraw/zinc/39/09/80/676390980.db2.gz PWFFFVWEEXGLFW-AWEZNQCLSA-N 1 0 350.488 2.312 20 30 FEEDRO C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000629913622 676874599 /nfs/dbraw/zinc/87/45/99/676874599.db2.gz LWZGQLFRIZGLIW-ZDUSSCGKSA-N 1 0 358.360 2.067 20 30 FEEDRO C[C@](O)(C[N@@H+]1CC[C@@](O)(CC#N)C1)c1ccc(Br)cc1F ZINC000829999182 677021054 /nfs/dbraw/zinc/02/10/54/677021054.db2.gz YBNNYCWSLJGNJJ-GJZGRUSLSA-N 1 0 357.223 2.146 20 30 FEEDRO CC#CC[C@H](CO)[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000641768153 677215297 /nfs/dbraw/zinc/21/52/97/677215297.db2.gz XMNKCYPGQQJYMX-MRXNPFEDSA-N 1 0 367.287 2.150 20 30 FEEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CC[NH2+][C@@H](C(C)C)C1 ZINC000643477252 677227030 /nfs/dbraw/zinc/22/70/30/677227030.db2.gz LECLBHDFHXKBSI-CQSZACIVSA-N 1 0 369.918 2.373 20 30 FEEDRO C[C@@H](CCC#N)[N@@H+]1CCC[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C1 ZINC000839476216 680754965 /nfs/dbraw/zinc/75/49/65/680754965.db2.gz BKPCMXYZBGVGDP-LSDHHAIUSA-N 1 0 352.479 2.032 20 30 FEEDRO C=CCOCCCNC(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000661792776 678534271 /nfs/dbraw/zinc/53/42/71/678534271.db2.gz CXFJQNTYBPGJFB-UHFFFAOYSA-N 1 0 353.507 2.113 20 30 FEEDRO C=CC[C@]1(C(=O)NCC(=O)Nc2ccc(Br)cc2)CCC[NH2+]1 ZINC000662514336 678632154 /nfs/dbraw/zinc/63/21/54/678632154.db2.gz MLLXNPLMOTZESO-MRXNPFEDSA-N 1 0 366.259 2.202 20 30 FEEDRO C=CC[C@@]1(C(=O)Nc2cccc(S(=O)(=O)N[C@@H](C)CC)c2)CCC[NH2+]1 ZINC000662645034 678646456 /nfs/dbraw/zinc/64/64/56/678646456.db2.gz HBBHJVSZZAGCQP-KSSFIOAISA-N 1 0 365.499 2.400 20 30 FEEDRO C=CC[C@@]1(C(=O)N2C[C@H]3Oc4c(F)ccc(F)c4O[C@H]3C2)CCC[NH2+]1 ZINC000662821506 678664974 /nfs/dbraw/zinc/66/49/74/678664974.db2.gz ZEDYCQBPNRHLPE-IYOUNJFTSA-N 1 0 350.365 2.014 20 30 FEEDRO C=CCC1(NC(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CCCC1 ZINC000663914981 678808258 /nfs/dbraw/zinc/80/82/58/678808258.db2.gz CNRQJTZWZJEIKC-MRXNPFEDSA-N 1 0 350.507 2.117 20 30 FEEDRO Cc1nc2scc(C3CC3)n2c1C=NNC(=S)NCCC[NH+](C)C ZINC000764692713 680818768 /nfs/dbraw/zinc/81/87/68/680818768.db2.gz PQJDLWNTZQQXDY-UHFFFAOYSA-N 1 0 364.544 2.331 20 30 FEEDRO C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CCS[C@H](C)[C@@H]1C ZINC000669033436 679216152 /nfs/dbraw/zinc/21/61/52/679216152.db2.gz PFODKHGYHDRCMY-JJXSEGSLSA-N 1 0 363.531 2.330 20 30 FEEDRO COc1c(Br)cc(Cl)cc1NC(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000841109811 680863772 /nfs/dbraw/zinc/86/37/72/680863772.db2.gz PCGYLLWRJOHXHL-RDDDGLTNSA-N 1 0 373.638 2.344 20 30 FEEDRO C=CCC[C@H]([NH2+]CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)C1CC1 ZINC000747858777 679908349 /nfs/dbraw/zinc/90/83/49/679908349.db2.gz YWFAAWDFJUIEIN-INIZCTEOSA-N 1 0 351.491 2.400 20 30 FEEDRO CC(=NNC(=S)NCC(F)(F)F)c1ccc(OCC[NH+](C)C)cc1 ZINC000748133679 679934119 /nfs/dbraw/zinc/93/41/19/679934119.db2.gz OCTGBEPXSXUYMR-UHFFFAOYSA-N 1 0 362.421 2.377 20 30 FEEDRO CCCCCCNC(=O)[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N(C)CCC#N)C1 ZINC000748318221 679951635 /nfs/dbraw/zinc/95/16/35/679951635.db2.gz NYYJISWWJJAECW-DLBZAZTESA-N 1 0 350.507 2.155 20 30 FEEDRO CCCCCCNC(=O)[C@@H]1CCC[N@@H+]([C@H](C)C(=O)N(C)CCC#N)C1 ZINC000748318223 679951799 /nfs/dbraw/zinc/95/17/99/679951799.db2.gz NYYJISWWJJAECW-IAGOWNOFSA-N 1 0 350.507 2.155 20 30 FEEDRO N#Cc1ccsc1NC(=O)C(=O)NC[C@H]1CC[N@@H+]1C1CCCCCC1 ZINC000874154832 685308433 /nfs/dbraw/zinc/30/84/33/685308433.db2.gz NDESWIHWMBLWSU-OAHLLOKOSA-N 1 0 360.483 2.472 20 30 FEEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)[C@H]1CCCN(CC[NH3+])C1=O ZINC000912069041 685308782 /nfs/dbraw/zinc/30/87/82/685308782.db2.gz WUSKYFVCMHXKJE-ZDUSSCGKSA-N 1 0 355.891 2.113 20 30 FEEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)CCNC(=O)[C@H]([NH3+])C(C)C ZINC000912068162 685308933 /nfs/dbraw/zinc/30/89/33/685308933.db2.gz OVVPRRLZORVCTI-OAHLLOKOSA-N 1 0 357.907 2.406 20 30 FEEDRO C=C(Br)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3OCC[C@H]3CC)[C@@H]2C1 ZINC000978309985 680172186 /nfs/dbraw/zinc/17/21/86/680172186.db2.gz SCZWHMKQAUGIGM-ZSAUSMIDSA-N 1 0 357.292 2.004 20 30 FEEDRO C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H](CNC(=O)OC(C)(C)C)C[C@@H]1C ZINC000752084838 680222590 /nfs/dbraw/zinc/22/25/90/680222590.db2.gz XUVBLHOHWRBEBY-JKSUJKDBSA-N 1 0 351.491 2.422 20 30 FEEDRO C[C@@H]1CN(C)CC1=NNC(=S)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000752157890 680225811 /nfs/dbraw/zinc/22/58/11/680225811.db2.gz FGNZOLGOWWUQSX-OAHLLOKOSA-N 1 0 359.543 2.053 20 30 FEEDRO Cc1cc(C(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)nn1-c1ccc(Cl)cc1Cl ZINC000834484447 680233514 /nfs/dbraw/zinc/23/35/14/680233514.db2.gz IYJPVDYVDATPCA-QMTHXVAHSA-N 1 0 364.236 2.329 20 30 FEEDRO CC(C)(C)NC(=O)Nc1ccc(Cl)c(C(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)c1 ZINC000834488717 680234099 /nfs/dbraw/zinc/23/40/99/680234099.db2.gz GCHQFCBTMQEQFA-HZMBPMFUSA-N 1 0 363.849 2.101 20 30 FEEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)CCCCc1ccc(Br)cc1 ZINC000834490177 680234217 /nfs/dbraw/zinc/23/42/17/680234217.db2.gz SGNRPTYHHMDRJY-ZFWWWQNUSA-N 1 0 350.260 2.390 20 30 FEEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)CCSc1ccccc1Br ZINC000834499364 680235209 /nfs/dbraw/zinc/23/52/09/680235209.db2.gz HTLPKZPUXJEHCD-JQWIXIFHSA-N 1 0 354.273 2.159 20 30 FEEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1 ZINC000834507165 680236491 /nfs/dbraw/zinc/23/64/91/680236491.db2.gz YMYOXCSNJDUSFU-STQMWFEESA-N 1 0 355.419 2.028 20 30 FEEDRO CC(C)c1c(C(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)cnn1-c1cccc(Cl)c1 ZINC000834516821 680237141 /nfs/dbraw/zinc/23/71/41/680237141.db2.gz MKALXXMAVGYITC-LRDDRELGSA-N 1 0 357.845 2.490 20 30 FEEDRO CC(C)c1c(C(=O)N[C@H]2C[NH2+]C[C@H]2C#N)cnn1-c1ccc(Cl)cc1 ZINC000834517392 680237148 /nfs/dbraw/zinc/23/71/48/680237148.db2.gz UXBXNOYMXSYBEQ-WBMJQRKESA-N 1 0 357.845 2.490 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+](CCc2ccns2)C1 ZINC001023643294 680268652 /nfs/dbraw/zinc/26/86/52/680268652.db2.gz TYWSUSCRPCVQBD-NJAFHUGGSA-N 1 0 363.527 2.495 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)Nc2ccc(Br)c(CO)c2)CC1 ZINC000912171915 685323750 /nfs/dbraw/zinc/32/37/50/685323750.db2.gz VUKIODFWKGPYLD-UHFFFAOYSA-N 1 0 351.244 2.225 20 30 FEEDRO C[NH+](C)CCCNC(=S)NN=Cc1cccc(Br)c1F ZINC000834957590 680284878 /nfs/dbraw/zinc/28/48/78/680284878.db2.gz LZHULYXZNHNGEE-UHFFFAOYSA-N 1 0 361.284 2.338 20 30 FEEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+]C[C@@H]2COc3ccccc3C2)c1 ZINC000753910039 680323789 /nfs/dbraw/zinc/32/37/89/680323789.db2.gz CTWUANOMIJHBKN-MRXNPFEDSA-N 1 0 356.447 2.173 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([NH2+]CCn2cc(Cl)cn2)CC1 ZINC000996599816 680336615 /nfs/dbraw/zinc/33/66/15/680336615.db2.gz BZRHQMIGFBIXBC-SJORKVTESA-N 1 0 366.893 2.098 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@H]3CCCC(F)(F)C3)C[C@H]21 ZINC001026056994 680340673 /nfs/dbraw/zinc/34/06/73/680340673.db2.gz OLWUBXIAAPAQKS-QROFKTNTSA-N 1 0 354.441 2.449 20 30 FEEDRO C=C(Cl)CN1CC[NH+](C2CCC(NC(=O)[C@H]3CC[C@@H](C)O3)CC2)CC1 ZINC000996789905 680340945 /nfs/dbraw/zinc/34/09/45/680340945.db2.gz RRBUNIUZHNNTLJ-AQEOSJORSA-N 1 0 369.937 2.351 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([NH2+]C[C@H](O)C2CCCCC2)CC1 ZINC000997013078 680345499 /nfs/dbraw/zinc/34/54/99/680345499.db2.gz YNCYQJFMIIWMQW-QYZOEREBSA-N 1 0 350.503 2.099 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]Cc2cc(OC)ns2)C1 ZINC001027117307 680355642 /nfs/dbraw/zinc/35/56/42/680355642.db2.gz VGZQFBPPZCMCSY-KMFMINBZSA-N 1 0 365.499 2.071 20 30 FEEDRO C=C(C)C[N@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)CC1 ZINC000998067509 680374280 /nfs/dbraw/zinc/37/42/80/680374280.db2.gz VHGYSXBPWHFEJT-CADBVGFASA-N 1 0 350.503 2.317 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(C[NH2+][C@H](C)c2csnn2)CC1 ZINC000998094810 680375202 /nfs/dbraw/zinc/37/52/02/680375202.db2.gz NBUJUQNBGPNLJD-XPKDYRNWSA-N 1 0 350.488 2.018 20 30 FEEDRO C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCO[C@H]2c2ccnn2CC)C1 ZINC000999400303 680401795 /nfs/dbraw/zinc/40/17/95/680401795.db2.gz KFIZXSSBMVYLID-ZMSDIMECSA-N 1 0 366.893 2.314 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC1C[NH+](C[C@H]2CC(C)(C)CO2)C1 ZINC001032041721 680411637 /nfs/dbraw/zinc/41/16/37/680411637.db2.gz YFGJUAQVTBSFQW-SQNIBIBYSA-N 1 0 350.503 2.221 20 30 FEEDRO C=C(Br)CN1CC[C@@H](N(CC)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001033837896 680425675 /nfs/dbraw/zinc/42/56/75/680425675.db2.gz KQXWSQDIVQXEAJ-RBSFLKMASA-N 1 0 358.324 2.158 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+]1CCC1CCOCC1 ZINC001038800952 680461263 /nfs/dbraw/zinc/46/12/63/680461263.db2.gz VXABUDCKIPEHRG-QYZOEREBSA-N 1 0 350.503 2.365 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC([C@H]2CC[N@@H+](CCOC)C2)CC1 ZINC001039160086 680462714 /nfs/dbraw/zinc/46/27/14/680462714.db2.gz HAYRGCJHXKRHHL-FHWLQOOXSA-N 1 0 350.503 2.175 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC2(C1)CC[NH+](CCOC)CC2 ZINC001040881793 680492415 /nfs/dbraw/zinc/49/24/15/680492415.db2.gz SUXQZNHURWKRDY-ROUUACIJSA-N 1 0 350.503 2.319 20 30 FEEDRO NC(=O)c1ccc(N=NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)nn1 ZINC000756837626 680500746 /nfs/dbraw/zinc/50/07/46/680500746.db2.gz AIRXCCLTPOCAPD-UHFFFAOYSA-N 1 0 358.833 2.293 20 30 FEEDRO Cc1nsc(N[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C(C)C)C[C@H]2C)c1C#N ZINC001043326282 680574263 /nfs/dbraw/zinc/57/42/63/680574263.db2.gz CZNUAFMQBQDYNJ-DAXOMENPSA-N 1 0 361.515 2.455 20 30 FEEDRO C#CCNC(=S)C(C(=O)c1ccccc1C)[n+]1ccc(N(C)C)cc1 ZINC000759064528 680624221 /nfs/dbraw/zinc/62/42/21/680624221.db2.gz YLZFCSANAGZDOV-UHFFFAOYSA-O 1 0 352.483 2.262 20 30 FEEDRO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2Nc2nc(C#N)c(Cl)s2)C1 ZINC001045497722 680632103 /nfs/dbraw/zinc/63/21/03/680632103.db2.gz IGBLHAQYMJRQOD-IJLUTSLNSA-N 1 0 367.906 2.459 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)NC1(C)CC[NH+](CCC[C@H]2CCOC2)CC1 ZINC001045564109 680634673 /nfs/dbraw/zinc/63/46/73/680634673.db2.gz VUJMAUUFZRQODK-KSZLIROESA-N 1 0 350.503 2.365 20 30 FEEDRO C=C(Cl)C(C)(C)C(=O)N1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001007478846 680643905 /nfs/dbraw/zinc/64/39/05/680643905.db2.gz CUWVIQUDIKFARG-DOXZYTNZSA-N 1 0 367.921 2.214 20 30 FEEDRO C=C(Cl)C(C)(C)C(=O)N1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCCC2)C1 ZINC001007481056 680643930 /nfs/dbraw/zinc/64/39/30/680643930.db2.gz CWMVXRVOTBLOBN-KXBFYZLASA-N 1 0 367.921 2.358 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](CCOC)CCC1(F)F ZINC001046980290 680656025 /nfs/dbraw/zinc/65/60/25/680656025.db2.gz KVAQUSZVSSIRNW-PMPSAXMXSA-N 1 0 360.445 2.078 20 30 FEEDRO C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H](Nc3snc(Cl)c3C#N)C2)CC[N@@H+]1C ZINC001047066253 680657028 /nfs/dbraw/zinc/65/70/28/680657028.db2.gz ZSDMZUOSPVGQGU-DDHJBXDOSA-N 1 0 367.906 2.315 20 30 FEEDRO C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H](Nc2nc(C#N)c(Cl)s2)C1 ZINC001047216581 680658547 /nfs/dbraw/zinc/65/85/47/680658547.db2.gz GLZWDHYTRAFUCI-LOWVWBTDSA-N 1 0 367.906 2.459 20 30 FEEDRO CNC(=O)C1([NH2+]CC(=O)N(CCC#N)c2cccc(Cl)c2)CCCC1 ZINC000759714952 680665329 /nfs/dbraw/zinc/66/53/29/680665329.db2.gz RTFGNDCAMFSLCQ-UHFFFAOYSA-N 1 0 362.861 2.235 20 30 FEEDRO CS[C@@H]1CN(C(=O)Nc2ccc(F)cc2OCC#N)C[C@H]1[NH+](C)C ZINC000759992664 680674126 /nfs/dbraw/zinc/67/41/26/680674126.db2.gz IVLITRLFQYSHKH-UKRRQHHQSA-N 1 0 352.435 2.237 20 30 FEEDRO CCc1c(NC(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)cnn1-c1ccccc1Cl ZINC000841214692 680869361 /nfs/dbraw/zinc/86/93/61/680869361.db2.gz QQHPSTHQJIXJAL-AAEUAGOBSA-N 1 0 358.833 2.321 20 30 FEEDRO C=CCn1c(CC(F)(F)F)nnc1N1C[C@@H](C)[N@H+](CCOC)[C@@H](C)C1 ZINC000842946739 680976672 /nfs/dbraw/zinc/97/66/72/680976672.db2.gz WZOSKQFMTLMFOG-BETUJISGSA-N 1 0 361.412 2.114 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[C@H](C[NH2+]C[C@@H]2CCOC2)CC1 ZINC001050375847 681047003 /nfs/dbraw/zinc/04/70/03/681047003.db2.gz QQJJFNOZPRVCBS-VMXHOPILSA-N 1 0 350.503 2.269 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[C@H](C[NH2+]Cc2csnn2)CC1 ZINC001050374789 681047014 /nfs/dbraw/zinc/04/70/14/681047014.db2.gz BUIVGFJQBPKIIJ-OTRWWLKZSA-N 1 0 364.515 2.284 20 30 FEEDRO CC[C@@H]1[C@@H](C(=O)NCC2CC(Nc3snc(C)c3C#N)C2)CC[N@@H+]1C ZINC001052120104 681071541 /nfs/dbraw/zinc/07/15/41/681071541.db2.gz RSIKKDNYEVJEPR-VKJZCYHPSA-N 1 0 361.515 2.360 20 30 FEEDRO C[C@@H]1[C@H](C(=O)NCC2CC(Nc3snc(Cl)c3C#N)C2)CC[N@@H+]1C ZINC001052124921 681071777 /nfs/dbraw/zinc/07/17/77/681071777.db2.gz ZSDMZUOSPVGQGU-HBIQZDMRSA-N 1 0 367.906 2.315 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)O[C@@H]2CCN(c3ccccc3Cl)C2=O)CC1 ZINC000772110990 681086141 /nfs/dbraw/zinc/08/61/41/681086141.db2.gz XPGUZILMXNGNSN-QGZVFWFLSA-N 1 0 360.841 2.334 20 30 FEEDRO C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1CNc1ncc(C#N)cc1Cl ZINC001054408565 681107551 /nfs/dbraw/zinc/10/75/51/681107551.db2.gz MYFHDCYOUHEHDE-BPLDGKMQSA-N 1 0 361.877 2.065 20 30 FEEDRO C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)O[C@@H]1CCC[C@@H](C#N)C1 ZINC000845603816 681140849 /nfs/dbraw/zinc/14/08/49/681140849.db2.gz YAOGICGOTNKFRF-KFWWJZLASA-N 1 0 353.463 2.457 20 30 FEEDRO C#C[C@@H](NC(=O)NCC1([NH+]2CCSCC2)CCCCC1)[C@H]1CCCO1 ZINC000773555922 681148111 /nfs/dbraw/zinc/14/81/11/681148111.db2.gz GNEALJHSQOWNBQ-IAGOWNOFSA-N 1 0 365.543 2.218 20 30 FEEDRO CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(c3nc(Cl)c(C#N)s3)C2)CC[N@@H+]1C ZINC001058573277 681172821 /nfs/dbraw/zinc/17/28/21/681172821.db2.gz HZCIDSVJRIZCKM-SDDRHHMPSA-N 1 0 367.906 2.093 20 30 FEEDRO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H](Nc3nc(C#N)c(Cl)s3)C2)CC[N@@H+]1C ZINC001059853889 681186604 /nfs/dbraw/zinc/18/66/04/681186604.db2.gz NYPCQJQBFQPYBM-CHWFTXMASA-N 1 0 353.879 2.067 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H]2C[N@H+]([C@H](C)COC)C[C@H]2CC1 ZINC000946818379 681261749 /nfs/dbraw/zinc/26/17/49/681261749.db2.gz JCJLVPKYQYWBEG-GFEQUFNTSA-N 1 0 350.503 2.173 20 30 FEEDRO CC(C)Oc1cc(C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)ccc1Br ZINC000846678390 681274999 /nfs/dbraw/zinc/27/49/99/681274999.db2.gz SLGMHGWALUFWRK-WCQYABFASA-N 1 0 352.232 2.078 20 30 FEEDRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)N[C@@H](CC#N)C(F)(F)F)cc1 ZINC000932903145 681325538 /nfs/dbraw/zinc/32/55/38/681325538.db2.gz OXFVQSNDBZQSRR-KGLIPLIRSA-N 1 0 358.364 2.442 20 30 FEEDRO CCC(CC)[C@@H](CNC(=O)N[C@H](CC#N)C(F)(F)F)[NH+]1CCOCC1 ZINC000932926593 681329772 /nfs/dbraw/zinc/32/97/72/681329772.db2.gz KMPZHQMTEDDPTG-ZIAGYGMSSA-N 1 0 364.412 2.267 20 30 FEEDRO C#CCC1([NH2+]CC(=O)Nc2cc(S(C)(=O)=O)ccc2F)CCCCC1 ZINC000933265207 681382169 /nfs/dbraw/zinc/38/21/69/681382169.db2.gz UKGVHMQOWQBQJL-UHFFFAOYSA-N 1 0 366.458 2.484 20 30 FEEDRO C=CCN1CC[C@@H]([NH2+][C@@](C)(CO)Cc2ccc(Br)cc2)C1=O ZINC000933443815 681413679 /nfs/dbraw/zinc/41/36/79/681413679.db2.gz ZMSWJCAZYFCENU-NVXWUHKLSA-N 1 0 367.287 2.119 20 30 FEEDRO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@](C)(CO)Cc1ccc(Cl)cc1 ZINC000933447888 681414690 /nfs/dbraw/zinc/41/46/90/681414690.db2.gz HHRPTKOYPAVZNN-KSSFIOAISA-N 1 0 351.878 2.231 20 30 FEEDRO CC[NH+](CC)Cc1cc(C(C)=NNC2CCS(=O)(=O)CC2)ccc1O ZINC000776791745 681436494 /nfs/dbraw/zinc/43/64/94/681436494.db2.gz KSVHIDSJRYIRLU-UHFFFAOYSA-N 1 0 367.515 2.125 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1cnn(-c2cccc(Cl)c2)n1 ZINC000777369455 681488295 /nfs/dbraw/zinc/48/82/95/681488295.db2.gz NNKGZRZAWSCNOJ-UHFFFAOYSA-N 1 0 360.849 2.228 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1CCC[N@H+](CC2CCOCC2)CC1 ZINC000948789293 681598983 /nfs/dbraw/zinc/59/89/83/681598983.db2.gz KYNKHXAABPQKFQ-OTWHNJEPSA-N 1 0 350.503 2.317 20 30 FEEDRO CN(C)[S@@](C)(=O)=NCC1CC[NH+](CCOc2cccc(C#N)c2)CC1 ZINC000934750121 681620739 /nfs/dbraw/zinc/62/07/39/681620739.db2.gz LUUPAVROWORDSX-VWLOTQADSA-N 1 0 364.515 2.223 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCOC2(CC[NH+](CCCF)CC2)C1 ZINC000949209804 681624688 /nfs/dbraw/zinc/62/46/88/681624688.db2.gz VNRAFXFSZJKDMD-IRXDYDNUSA-N 1 0 354.466 2.021 20 30 FEEDRO C=C(Cl)CN1CC(N(CC)C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC000950346227 681683463 /nfs/dbraw/zinc/68/34/63/681683463.db2.gz CJUILKNPYMWVSW-MSOLQXFVSA-N 1 0 369.937 2.019 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N(CC)C1C[NH+](CCC2CCOCC2)C1 ZINC000950353474 681684518 /nfs/dbraw/zinc/68/45/18/681684518.db2.gz YTCPIKXLUASZRT-MOPGFXCFSA-N 1 0 350.503 2.317 20 30 FEEDRO C=C(Cl)C(C)(C)C(=O)N1CC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC000950779792 681707269 /nfs/dbraw/zinc/70/72/69/681707269.db2.gz BMPLTZVENRJRLA-YNEHKIRRSA-N 1 0 350.850 2.009 20 30 FEEDRO CC(C)(C#N)CS(=O)(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000914017544 685492151 /nfs/dbraw/zinc/49/21/51/685492151.db2.gz DESGXXQAXAUZDC-CQSZACIVSA-N 1 0 355.529 2.429 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC2(CC1)CC[NH+](C[C@H](C)OC)CC2 ZINC000957608404 681910145 /nfs/dbraw/zinc/91/01/45/681910145.db2.gz KQHMHAUBHDZHCN-KSZLIROESA-N 1 0 350.503 2.317 20 30 FEEDRO N#Cc1cc(CS(=O)(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)cs1 ZINC000914078777 685493774 /nfs/dbraw/zinc/49/37/74/685493774.db2.gz STPDKWBULRJCMS-HNNXBMFYSA-N 1 0 353.513 2.400 20 30 FEEDRO C=C(C[NH+](C)C)C(=O)N(CCNC(=O)OC(C)(C)C)CC(F)(F)F ZINC000914086156 685493902 /nfs/dbraw/zinc/49/39/02/685493902.db2.gz COSHVVKOLKBJTR-UHFFFAOYSA-N 1 0 353.385 2.020 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(C)([NH2+]Cc2nn(C)cc2Cl)CC1 ZINC000940340526 682050314 /nfs/dbraw/zinc/05/03/14/682050314.db2.gz ZGEMXIUDEQGHLU-CJNGLKHVSA-N 1 0 366.893 2.135 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC(C)([NH2+]CC2CCOCC2)CC1 ZINC000940376908 682052513 /nfs/dbraw/zinc/05/25/13/682052513.db2.gz YZAMMDZRAZFUSO-ROUUACIJSA-N 1 0 350.503 2.365 20 30 FEEDRO C=CCOc1ccc(CNS(=O)(=O)C[C@@]23CC[N@H+](C2)CCC3)cc1 ZINC000915516599 685515789 /nfs/dbraw/zinc/51/57/89/685515789.db2.gz AXWMRRAWWKLRBX-SFHVURJKSA-N 1 0 350.484 2.157 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CC(C[NH2+]Cc2nnc(CC)s2)C1 ZINC000962414257 682117507 /nfs/dbraw/zinc/11/75/07/682117507.db2.gz JLLROJZVMCZOGQ-QKRUXVEJSA-N 1 0 364.515 2.066 20 30 FEEDRO Cc1cc(=O)[nH]c(NN=Cc2c(Cl)cccc2N2CC[NH+](C)CC2)n1 ZINC000915932115 685519748 /nfs/dbraw/zinc/51/97/48/685519748.db2.gz LBVHYIANXSVDRC-UHFFFAOYSA-N 1 0 360.849 2.342 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)N1CC[C@H](c2nc(C)c(C(=O)OCC)s2)C1 ZINC000916292429 685523292 /nfs/dbraw/zinc/52/32/92/685523292.db2.gz QCNZTFDKNMRLDS-AWEZNQCLSA-N 1 0 365.499 2.452 20 30 FEEDRO C=CCS(=O)(=O)CC[NH2+][C@@H](C)CC(=O)Nc1cc(Cl)ccc1OC ZINC000783531207 682150239 /nfs/dbraw/zinc/15/02/39/682150239.db2.gz IBADBPRCYKZIKV-LBPRGKRZSA-N 1 0 374.890 2.256 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CC2(C1)CC([NH2+]Cc1cnns1)C2 ZINC000965425256 682190429 /nfs/dbraw/zinc/19/04/29/682190429.db2.gz SNYAADKOYQWOGS-YRJJUTJMSA-N 1 0 362.499 2.036 20 30 FEEDRO N#Cc1ccc(CC[N@H+]2CC[C@@H]3CN(C(=O)C(F)(F)F)C[C@H]3C2)cc1 ZINC000852134622 682225394 /nfs/dbraw/zinc/22/53/94/682225394.db2.gz FQANFFSXRAPNJP-HZPDHXFCSA-N 1 0 351.372 2.443 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)NCCn2nc(C(F)(F)F)cc2C)CC1 ZINC000917136373 685529968 /nfs/dbraw/zinc/52/99/68/685529968.db2.gz BQUDAHLVRAHTRT-UHFFFAOYSA-N 1 0 359.396 2.160 20 30 FEEDRO O=C(C#CC1CC[NH2+]CC1)NCCc1nc(-c2ccc(Cl)cc2)no1 ZINC000852838761 682349033 /nfs/dbraw/zinc/34/90/33/682349033.db2.gz NYOLLRUCSNIMBA-UHFFFAOYSA-N 1 0 358.829 2.052 20 30 FEEDRO Cn1ccc([C@H](NC(=O)C#CC2CC[NH2+]CC2)c2ccc(Cl)cc2)n1 ZINC000852887131 682353919 /nfs/dbraw/zinc/35/39/19/682353919.db2.gz GESYMJSSPSBZIT-LJQANCHMSA-N 1 0 356.857 2.282 20 30 FEEDRO O=C(C#CC1CC[NH2+]CC1)N[C@@H]1COc2cc(F)c(Br)cc21 ZINC000852890365 682353933 /nfs/dbraw/zinc/35/39/33/682353933.db2.gz JDKRHSPGOJQYAA-CQSZACIVSA-N 1 0 367.218 2.141 20 30 FEEDRO C#C[C@@H]([NH2+]C[C@@H](O)COc1ccc(Br)cc1)C1CCOCC1 ZINC000853116529 682377855 /nfs/dbraw/zinc/37/78/55/682377855.db2.gz WXVIADJEZPKYHZ-NVXWUHKLSA-N 1 0 368.271 2.207 20 30 FEEDRO C#CCN(CC(=O)OC(C)(C)C)C(=O)NC1CC[NH+](CCCC)CC1 ZINC000853597636 682441027 /nfs/dbraw/zinc/44/10/27/682441027.db2.gz KRXDNIYFLRYGJS-UHFFFAOYSA-N 1 0 351.491 2.237 20 30 FEEDRO C[NH+](C)Cc1ccc(S(=O)(=O)NCc2ccc(OCC#N)cc2)cc1 ZINC000788619106 682543535 /nfs/dbraw/zinc/54/35/35/682543535.db2.gz DKXFJOQWFMXWOE-UHFFFAOYSA-N 1 0 359.451 2.129 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)c1nn(C(C)(C)C)cc1Br ZINC000854663227 682577015 /nfs/dbraw/zinc/57/70/15/682577015.db2.gz ZTYSBRKATLDCQM-UHFFFAOYSA-N 1 0 355.280 2.086 20 30 FEEDRO CC(=NNC(=S)NC1CC[NH+](Cc2ccccc2)CC1)c1ncc[nH]1 ZINC000790147246 682658319 /nfs/dbraw/zinc/65/83/19/682658319.db2.gz ACIYWGDITSGJJQ-UHFFFAOYSA-N 1 0 356.499 2.262 20 30 FEEDRO CN(CCC[NH+](C)C)CCNC(=O)C#Cc1ccc(C(F)(F)F)cc1 ZINC000855414760 682667395 /nfs/dbraw/zinc/66/73/95/682667395.db2.gz KWYHOTYCAAFPGC-UHFFFAOYSA-N 1 0 355.404 2.057 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)Nc2cnc(OC)c(Br)c2C)CC1 ZINC000855471376 682674314 /nfs/dbraw/zinc/67/43/14/682674314.db2.gz OZSIIGONOVGQEZ-UHFFFAOYSA-N 1 0 366.259 2.445 20 30 FEEDRO C[NH+](C)C1CC(NC(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)C1 ZINC000857229688 682866927 /nfs/dbraw/zinc/86/69/27/682866927.db2.gz DQHBAUBCYQVXSU-NRXISQOPSA-N 1 0 352.479 2.172 20 30 FEEDRO C=CCCOCCCCC(=O)N[C@@H]1C[C@]2(C[N@@H+](C)[C@H]2C(C)C)C[C@H]1O ZINC000926167587 683087173 /nfs/dbraw/zinc/08/71/73/683087173.db2.gz TXEPEFFSNSTEDU-IZBJGVDFSA-N 1 0 352.519 2.345 20 30 FEEDRO C=CCn1nnn(CN2CCC[N@@H+](Cc3ccccc3C)CC2)c1=S ZINC000919940779 683308360 /nfs/dbraw/zinc/30/83/60/683308360.db2.gz NHNYWVDNFVKOGX-UHFFFAOYSA-N 1 0 358.515 2.469 20 30 FEEDRO C=CCN1CC[C@@H]([NH2+][C@H](CNC(=O)OC(C)(C)C)C2CCCC2)C1=O ZINC000799168236 683431528 /nfs/dbraw/zinc/43/15/28/683431528.db2.gz HCIDEJJFUQKEIF-HZPDHXFCSA-N 1 0 351.491 2.446 20 30 FEEDRO C=CCN1CC[C@H]([NH2+][C@H]2CCCC[C@@H]2CNC(=O)OC(C)(C)C)C1=O ZINC000799165002 683431719 /nfs/dbraw/zinc/43/17/19/683431719.db2.gz PTCOLSIEKCUGNC-PMPSAXMXSA-N 1 0 351.491 2.446 20 30 FEEDRO CC(C)[C@H]1CCc2c(C#N)c(NC(=O)C(=O)N(C)C[C@H](C)[NH3+])sc2C1 ZINC000861544106 683433048 /nfs/dbraw/zinc/43/30/48/683433048.db2.gz KBHKGFSWEJKQFK-RYUDHWBXSA-N 1 0 362.499 2.125 20 30 FEEDRO N#Cc1ccc(Br)c(C[NH2+]C[C@H]2COC3(CCOCC3)O2)c1 ZINC000921974378 683629529 /nfs/dbraw/zinc/62/95/29/683629529.db2.gz OVGIXDVXKUFAKI-AWEZNQCLSA-N 1 0 367.243 2.332 20 30 FEEDRO C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)Cc1ccc(F)c(Cl)c1 ZINC000922024285 683639950 /nfs/dbraw/zinc/63/99/50/683639950.db2.gz OKYZAYXPPJKSEO-UHFFFAOYSA-N 1 0 358.866 2.338 20 30 FEEDRO COc1cc(C=NNC(=S)NCCC[NH+](C)C)cc(C(F)(F)F)c1 ZINC000863092768 683677014 /nfs/dbraw/zinc/67/70/14/683677014.db2.gz JRLDDFDBYJXPFA-UHFFFAOYSA-N 1 0 362.421 2.464 20 30 FEEDRO C=CCN1CC[C@@H]([N@H+](C)C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)C1=O ZINC000930310507 683709375 /nfs/dbraw/zinc/70/93/75/683709375.db2.gz HCFCTEFJBCFCSK-OWCLPIDISA-N 1 0 351.491 2.399 20 30 FEEDRO N#Cc1ccc([C@H](O)C[NH2+]CC2(OCCO)CCC(F)(F)CC2)cc1 ZINC000863574134 683744138 /nfs/dbraw/zinc/74/41/38/683744138.db2.gz FQYGNASFVVZLHK-MRXNPFEDSA-N 1 0 354.397 2.138 20 30 FEEDRO CN(C[C@@H]1CC2(CN(C(=O)OC(C)(C)C)C2)C(=O)O1)CC(C)(C)C#N ZINC000930567116 683753878 /nfs/dbraw/zinc/75/38/78/683753878.db2.gz DYLTZNGYGOSNAJ-ZDUSSCGKSA-N 1 0 351.447 2.021 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]C[C@H]1C[C@@]2(CCN(C(=O)OC(C)(C)C)C2)CO1 ZINC000930638669 683762791 /nfs/dbraw/zinc/76/27/91/683762791.db2.gz JJHMZUGKMHDMSW-OAFZBRQQSA-N 1 0 352.475 2.336 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]C[C@H]1C[C@]2(CCN(C(=O)OC(C)(C)C)C2)CO1 ZINC000930638668 683762891 /nfs/dbraw/zinc/76/28/91/683762891.db2.gz JJHMZUGKMHDMSW-JEWRLFTDSA-N 1 0 352.475 2.336 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)N[C@@H]2CCc3cc(F)c(F)c(F)c32)CC1 ZINC000922744435 683776288 /nfs/dbraw/zinc/77/62/88/683776288.db2.gz HSTCYXGGYSGRDC-CQSZACIVSA-N 1 0 351.372 2.488 20 30 FEEDRO C[C@@]1(NC(=O)Cc2ccc(Br)cc2C#N)C[NH+]2CCC1CC2 ZINC000864085313 683800650 /nfs/dbraw/zinc/80/06/50/683800650.db2.gz UYOPEJALTKRWPV-QGZVFWFLSA-N 1 0 362.271 2.464 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)c2cc(Br)cn3ccnc23)CC1 ZINC000865194523 683949057 /nfs/dbraw/zinc/94/90/57/683949057.db2.gz XQRVMXHYVAQHPG-UHFFFAOYSA-N 1 0 363.259 2.477 20 30 FEEDRO C=C(Cl)C[C@@H]1NC(=O)N(C[C@H](c2cccc(OC)c2)[NH+](C)C)C1=O ZINC000865297585 683963130 /nfs/dbraw/zinc/96/31/30/683963130.db2.gz YWHDXLDGXWWZBS-LSDHHAIUSA-N 1 0 351.834 2.361 20 30 FEEDRO C=CCS(=O)(=O)CC[NH2+]Cc1cn(C)nc1-c1cc(F)ccc1F ZINC000865524787 683993558 /nfs/dbraw/zinc/99/35/58/683993558.db2.gz QBEZTKHFZRJRSF-UHFFFAOYSA-N 1 0 355.410 2.056 20 30 FEEDRO C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000865859282 684037870 /nfs/dbraw/zinc/03/78/70/684037870.db2.gz SYQGYNYASOCXNS-ZIAGYGMSSA-N 1 0 359.898 2.432 20 30 FEEDRO CNS(=O)(=O)c1ccc(CC[NH2+][C@H](C)c2ccc(C#N)cc2F)cc1 ZINC000866579990 684122546 /nfs/dbraw/zinc/12/25/46/684122546.db2.gz WGYQIQDRMLFGKW-CYBMUJFWSA-N 1 0 361.442 2.499 20 30 FEEDRO C[N@H+](CC1CC1)C[C@H]1CCN(S(=O)(=O)c2cc(F)cc(C#N)c2)C1 ZINC000866903282 684178047 /nfs/dbraw/zinc/17/80/47/684178047.db2.gz JSBYQUKKVBJIIG-CQSZACIVSA-N 1 0 351.447 2.050 20 30 FEEDRO C[NH+](C)CC1(O)CCN(Cc2ccc(Br)cc2C#N)CC1 ZINC000931481077 684289329 /nfs/dbraw/zinc/28/93/29/684289329.db2.gz CUBBGVFBGMLIKA-UHFFFAOYSA-N 1 0 352.276 2.209 20 30 FEEDRO C#CCN1CCC[C@H](NC(=O)CSCc2cn3cc(C)ccc3n2)C1 ZINC000923590119 684309742 /nfs/dbraw/zinc/30/97/42/684309742.db2.gz QROJCADCJDCLBB-INIZCTEOSA-N 1 0 356.495 2.090 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CC[C@H](C2OCCO2)C1 ZINC000932003597 684387087 /nfs/dbraw/zinc/38/70/87/684387087.db2.gz WRXKTQZTDKQVNO-GJZGRUSLSA-N 1 0 350.484 2.346 20 30 FEEDRO C=C(C)CN1CCC([NH2+][C@H]2COCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000924989935 684513663 /nfs/dbraw/zinc/51/36/63/684513663.db2.gz VYHSBJIOXYVRLY-QGZVFWFLSA-N 1 0 353.507 2.252 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N[C@@H](CCO)c2ccc(Cl)c(F)c2)CC1 ZINC000869702652 684645460 /nfs/dbraw/zinc/64/54/60/684645460.db2.gz RZTJAVJHUSOQFI-KRWDZBQOSA-N 1 0 352.837 2.364 20 30 FEEDRO C=CCC[N@H+]1CC[C@H](N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1 ZINC000872296738 684935757 /nfs/dbraw/zinc/93/57/57/684935757.db2.gz YQXHPNUXSDMAHZ-ZNMIVQPWSA-N 1 0 351.447 2.077 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)N(C)C[C@H](O)c1cccc(Br)c1 ZINC000910424957 685052752 /nfs/dbraw/zinc/05/27/52/685052752.db2.gz SEGJOKXTWXBIFK-HNNXBMFYSA-N 1 0 355.276 2.449 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC(C(=O)NCc2ccc(F)cc2)CC1 ZINC000876593865 686226002 /nfs/dbraw/zinc/22/60/02/686226002.db2.gz JGBHBJBUMAOWSE-INIZCTEOSA-N 1 0 367.852 2.150 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000876615617 686229201 /nfs/dbraw/zinc/22/92/01/686229201.db2.gz JGVXMAFZAFWBAH-HNNXBMFYSA-N 1 0 370.280 2.484 20 30 FEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@H]1CCCN(c2ccccc2Cl)C1=O ZINC000876680665 686242277 /nfs/dbraw/zinc/24/22/77/686242277.db2.gz GVXWFSHIIVGSPN-OLZOCXBDSA-N 1 0 356.253 2.422 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[C@H](C(=O)Nc2cccc(C)n2)C1 ZINC000876727679 686254452 /nfs/dbraw/zinc/25/44/52/686254452.db2.gz QSMDEVZGWVFAPP-KBPBESRZSA-N 1 0 350.850 2.037 20 30 FEEDRO CO[C@@H](C)c1nc(CNC(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)cs1 ZINC000876781479 686267481 /nfs/dbraw/zinc/26/74/81/686267481.db2.gz LZIAXRLHHRGIFA-ZBEGNZNMSA-N 1 0 356.451 2.225 20 30 FEEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)c1cc(Br)ccc1Br ZINC000876803870 686272294 /nfs/dbraw/zinc/27/22/94/686272294.db2.gz YLMPCHGRTMWVDN-WRWORJQWSA-N 1 0 373.048 2.053 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NCc1cc(Cl)ccc1N1CCOCC1 ZINC000876891439 686288196 /nfs/dbraw/zinc/28/81/96/686288196.db2.gz YBMILINIGPXNPO-AWEZNQCLSA-N 1 0 358.269 2.263 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1 ZINC000876902757 686291766 /nfs/dbraw/zinc/29/17/66/686291766.db2.gz GLLHKNSKBAYGOV-KCQAQPDRSA-N 1 0 356.253 2.198 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N1CCN(c2cc(OC)ccc2Cl)CC1 ZINC000876945311 686299114 /nfs/dbraw/zinc/29/91/14/686299114.db2.gz YEEGVEUCIPPONZ-AWEZNQCLSA-N 1 0 358.269 2.467 20 30 FEEDRO C#CCCCCCC[NH2+][C@@H](C)C(=O)Nc1cccc(S(=O)(=O)NC)c1 ZINC000877009254 686309113 /nfs/dbraw/zinc/30/91/13/686309113.db2.gz KKQSDNCVTBVKPZ-HNNXBMFYSA-N 1 0 365.499 2.095 20 30 FEEDRO C=C(Cl)C[C@@H](NC(=O)c1ccc2c(c1)CC[NH2+]CC2)C(=O)OCC ZINC000877144656 686332421 /nfs/dbraw/zinc/33/24/21/686332421.db2.gz RSFXHXDLAPDLPN-MRXNPFEDSA-N 1 0 350.846 2.179 20 30 FEEDRO CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2cc(C#N)ccc2N(C)C)C1 ZINC000877608214 686421856 /nfs/dbraw/zinc/42/18/56/686421856.db2.gz RMYWAQHXWOZHAP-MRXNPFEDSA-N 1 0 354.376 2.125 20 30 FEEDRO COCC[N@H+](CC(=O)Nc1ccccc1SCC#N)C1CCOCC1 ZINC000879708022 686892262 /nfs/dbraw/zinc/89/22/62/686892262.db2.gz BEEKOAGZUYDYFP-UHFFFAOYSA-N 1 0 363.483 2.368 20 30 FEEDRO C[C@@H]([NH2+]CC(=O)N(CCC#N)CCC#N)c1ccc(C(F)(F)F)nc1 ZINC000880097688 686997995 /nfs/dbraw/zinc/99/79/95/686997995.db2.gz DZNUSTFVGBBZOP-GFCCVEGCSA-N 1 0 353.348 2.407 20 30 FEEDRO C=CCC[C@H](O)C[N@H+]1C[C@H](C)O[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000880221779 687018982 /nfs/dbraw/zinc/01/89/82/687018982.db2.gz RMLOROALPZYAFR-BXWFABGCSA-N 1 0 354.491 2.414 20 30 FEEDRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)Nc2cc(C#N)c(F)cc2F)C1 ZINC000880717029 687078273 /nfs/dbraw/zinc/07/82/73/687078273.db2.gz YJTDDQLESHUCMB-CYBMUJFWSA-N 1 0 352.385 2.315 20 30 FEEDRO C[NH+](C)CCC[C@@H]1CN(c2ncc(C#N)cc2Br)CCO1 ZINC000882640020 687422000 /nfs/dbraw/zinc/42/20/00/687422000.db2.gz PWNHJDWQKSFSSG-CYBMUJFWSA-N 1 0 353.264 2.263 20 30 FEEDRO N#Cc1nc(NC(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)ccc1Br ZINC000883079150 687557747 /nfs/dbraw/zinc/55/77/47/687557747.db2.gz LNYZFAZSTMQVFD-AAEUAGOBSA-N 1 0 364.247 2.464 20 30 FEEDRO C[C@@H]1CCC[N@@H+]1CCNC(=O)Nc1ccc(Br)c(C#N)n1 ZINC000883092939 687562200 /nfs/dbraw/zinc/56/22/00/687562200.db2.gz DRIRBJQJDPCOPB-SNVBAGLBSA-N 1 0 352.236 2.322 20 30 FEEDRO N#Cc1ccc(CN2CCC([NH2+]CC[C@@H]3CCCS3(=O)=O)CC2)cc1 ZINC000883297039 687602001 /nfs/dbraw/zinc/60/20/01/687602001.db2.gz DSAMMPUMNGSHCN-IBGZPJMESA-N 1 0 361.511 2.080 20 30 FEEDRO COc1ccc(OC(F)F)c(NC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)c1 ZINC000884075302 687783832 /nfs/dbraw/zinc/78/38/32/687783832.db2.gz UEJXUXYMBHRKIA-VVHFOWEKSA-N 1 0 351.353 2.374 20 30 FEEDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)NCc1ccc(SC)c(C#N)c1 ZINC000884160712 687804467 /nfs/dbraw/zinc/80/44/67/687804467.db2.gz MEFHYLMNPUJAFE-MRXNPFEDSA-N 1 0 362.499 2.190 20 30 FEEDRO N#C[C@@H]1C[NH2+]CC12CC(C(=O)N1CCN(c3ccccc3Cl)CC1)C2 ZINC000884175777 687807568 /nfs/dbraw/zinc/80/75/68/687807568.db2.gz HNAJARBERIWNJJ-XAUUPUKJSA-N 1 0 358.873 2.128 20 30 FEEDRO N#C[C@H]1C[NH2+]CC12CC(C(=O)Nc1cc(Br)ccc1O)C2 ZINC000884268609 687834396 /nfs/dbraw/zinc/83/43/96/687834396.db2.gz NGEWHYQQRIGRAF-VOZQYIJBSA-N 1 0 350.216 2.233 20 30 FEEDRO C[N@H+](CC1CC1)C[C@H]1CCN(S(=O)(=O)c2ccc(CCC#N)cc2)C1 ZINC000885037960 688002703 /nfs/dbraw/zinc/00/27/03/688002703.db2.gz CIVDSYPDXBDIJH-GOSISDBHSA-N 1 0 361.511 2.495 20 30 FEEDRO C#CCN(C(=O)Cc1cc(Cl)c2c(c1)OCCO2)C1CC[NH+](C)CC1 ZINC000886585128 688280113 /nfs/dbraw/zinc/28/01/13/688280113.db2.gz JKAYDVWIBOIJCV-UHFFFAOYSA-N 1 0 362.857 2.210 20 30 FEEDRO COC[C@@H]([NH2+]CC(=O)Nc1sc(C)c(C)c1C#N)[C@H]1CCCOC1 ZINC000886913656 688339870 /nfs/dbraw/zinc/33/98/70/688339870.db2.gz HOILGGRZBKXCHQ-DZGCQCFKSA-N 1 0 351.472 2.206 20 30 FEEDRO CC[NH+]1CCN(CCC(=O)Nc2ccc(Br)c(C#N)c2)CC1 ZINC000887994879 688532842 /nfs/dbraw/zinc/53/28/42/688532842.db2.gz NLXAORBZXCKRQN-UHFFFAOYSA-N 1 0 365.275 2.287 20 30 FEEDRO N#Cc1csc(CNC(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC000892019851 689141388 /nfs/dbraw/zinc/14/13/88/689141388.db2.gz OMCYKCZFNGRXLW-HNNXBMFYSA-N 1 0 355.467 2.479 20 30 FEEDRO CC[NH+](CC)CC#C[C@H](C)OC(=O)c1nn2c(c1Br)CCC2 ZINC000892863801 689255830 /nfs/dbraw/zinc/25/58/30/689255830.db2.gz POAFXNCBTOPKMZ-LBPRGKRZSA-N 1 0 368.275 2.482 20 30 FEEDRO C[C@]1(Br)C[C@@H]1C[NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000894005539 689447661 /nfs/dbraw/zinc/44/76/61/689447661.db2.gz KSUOIQOIIVRERK-INMHGKMJSA-N 1 0 362.271 2.422 20 30 FEEDRO N#Cc1cc(F)c(N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)cc1Br ZINC000897218494 689989469 /nfs/dbraw/zinc/98/94/69/689989469.db2.gz DICAWGLXNVRFFC-LSDHHAIUSA-N 1 0 368.250 2.495 20 30 FEEDRO O=C(NCC(F)(C(F)(F)F)C(F)(F)F)C1C[NH+](C2CCOCC2)C1 ZINC000899091563 690302043 /nfs/dbraw/zinc/30/20/43/690302043.db2.gz BHPMWQIUKOLCGX-UHFFFAOYSA-N 1 0 366.277 2.046 20 30 FEEDRO C[N@H+](CC(=O)NCC(F)(C(F)(F)F)C(F)(F)F)[C@H]1CCSC1 ZINC000899097198 690303190 /nfs/dbraw/zinc/30/31/90/690303190.db2.gz OVUCSAFMNWNATK-ZETCQYMHSA-N 1 0 356.307 2.373 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)Nc1ccc(C(=O)N2CCOCC2)c(Cl)c1 ZINC000900284122 690495355 /nfs/dbraw/zinc/49/53/55/690495355.db2.gz PDPBUELCRJSYDM-UHFFFAOYSA-N 1 0 365.861 2.259 20 30 FEEDRO C#CCN(C(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1)C1CSC1 ZINC000903126667 690848460 /nfs/dbraw/zinc/84/84/60/690848460.db2.gz UESADKDPQHSNHW-UHFFFAOYSA-N 1 0 358.511 2.411 20 30 FEEDRO C[C@H]([NH2+]CC1(S(=O)(=O)NC(C)(C)C)CCC1)c1cc(C#N)ccn1 ZINC000903188246 690863005 /nfs/dbraw/zinc/86/30/05/690863005.db2.gz BTACSSFWHDASOX-ZDUSSCGKSA-N 1 0 350.488 2.244 20 30 FEEDRO CCCN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1ccc(Br)c(C#N)c1 ZINC000903486180 690898917 /nfs/dbraw/zinc/89/89/17/690898917.db2.gz OMEZPILLBXHKQM-GFCCVEGCSA-N 1 0 372.288 2.083 20 30 FEEDRO N#Cc1cscc1C(=O)Nc1ccccc1OCCN1CC[NH2+]CC1 ZINC000904932086 691053231 /nfs/dbraw/zinc/05/32/31/691053231.db2.gz TWYWREMDPPQVAY-UHFFFAOYSA-N 1 0 356.451 2.156 20 30 FEEDRO C[C@@](O)(C[NH2+][C@@H]1CCCN(CC(F)(F)F)C1=O)C(F)(F)C(F)(F)F ZINC000905183739 691076728 /nfs/dbraw/zinc/07/67/28/691076728.db2.gz UXPBFSDLGDEITR-VXNVDRBHSA-N 1 0 372.256 2.078 20 30 FEEDRO COc1ccc(F)cc1CC[NH2+]CCS(=O)(=O)c1cccc(C#N)c1 ZINC000905479130 691123693 /nfs/dbraw/zinc/12/36/93/691123693.db2.gz QOKTUBNEUDAOQI-UHFFFAOYSA-N 1 0 362.426 2.312 20 30 FEEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+]CCc2nc3c(s2)CCC3)c1 ZINC000905569285 691143564 /nfs/dbraw/zinc/14/35/64/691143564.db2.gz PUPOVCBUXPDUPV-UHFFFAOYSA-N 1 0 361.492 2.109 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)N1CC[C@@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC000907713287 691544789 /nfs/dbraw/zinc/54/47/89/691544789.db2.gz CKXNASPNKDRVKO-LJQANCHMSA-N 1 0 351.491 2.496 20 30 FEEDRO C#CC[N@@H+](C)CCCNC(=O)[C@H](OC)c1ccc(Br)s1 ZINC000908436251 691678552 /nfs/dbraw/zinc/67/85/52/691678552.db2.gz FUNVIJVXANOYQB-CYBMUJFWSA-N 1 0 359.289 2.269 20 30 FEEDRO C=C(C)Cn1c(-c2cnsn2)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000909316415 691806334 /nfs/dbraw/zinc/80/63/34/691806334.db2.gz HIMVFSYPWVBXFI-CQSZACIVSA-N 1 0 359.503 2.437 20 30 FEEDRO N#Cc1c(Cl)nc(Cl)cc1C(F)(F)N1CC[C@H]2[NH2+]CCO[C@@H]2C1 ZINC001164390804 718820871 /nfs/dbraw/zinc/82/08/71/718820871.db2.gz RGWPPWKFWWBZQR-GHMZBOCLSA-N 1 0 363.195 2.372 20 30 FEEDRO CC(C)N(C)Cc1nn(-c2ncc(CC#N)cc2Cl)c2c1CC[NH2+]C2 ZINC001164680175 719648248 /nfs/dbraw/zinc/64/82/48/719648248.db2.gz RGJGAIJABMQDAT-UHFFFAOYSA-N 1 0 358.877 2.473 20 30 FEEDRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncc(Cl)nc1C#N)C2 ZINC001164812745 720086536 /nfs/dbraw/zinc/08/65/36/720086536.db2.gz ROASWTDHFIDTJJ-RDTXWAMCSA-N 1 0 361.877 2.186 20 30 FEEDRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2ncc(F)cc2C#N)CC1 ZINC001164821595 720301695 /nfs/dbraw/zinc/30/16/95/720301695.db2.gz KYGCHWGEUYGPHA-ROUUACIJSA-N 1 0 371.460 2.004 20 30 FEEDRO Cc1ccc(C#N)c(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164822630 720303549 /nfs/dbraw/zinc/30/35/49/720303549.db2.gz NTDMVMAYUXPQIQ-OALUTQOASA-N 1 0 367.497 2.173 20 30 FEEDRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2ncc(C#N)cc2F)CC1 ZINC001164827719 720329641 /nfs/dbraw/zinc/32/96/41/720329641.db2.gz HYHAOUXHTGNYBO-MSOLQXFVSA-N 1 0 371.460 2.004 20 30 FEEDRO Cc1nc(C#N)cnc1N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164912099 721548401 /nfs/dbraw/zinc/54/84/01/721548401.db2.gz YRRJPMHAWFGNQU-SJLPKXTDSA-N 1 0 353.401 2.138 20 30 FEEDRO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2C(F)(F)c1cc(C#N)cc(Cl)n1 ZINC001164923661 721866168 /nfs/dbraw/zinc/86/61/68/721866168.db2.gz JULWBQULIBJHIB-ZIAGYGMSSA-N 1 0 369.847 2.366 20 30 FEEDRO C[C@H]1CCC[N@@H+]1CCNS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000800121607 674020996 /nfs/dbraw/zinc/02/09/96/674020996.db2.gz CGNIOKJTVCNWTM-NSHDSACASA-N 1 0 361.389 2.340 20 30 FEEDRO Cc1cc(NC(=O)[C@H](C)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)on1 ZINC000022969645 539703860 /nfs/dbraw/zinc/70/38/60/539703860.db2.gz QWTDALUNLORWLS-INIZCTEOSA-N 1 0 367.453 2.390 20 30 FEEDRO Cc1nnc(NCCN2CC[NH+](Cc3ccccc3)CC2)c(C#N)c1C ZINC000029372286 539852295 /nfs/dbraw/zinc/85/22/95/539852295.db2.gz JUIPDDJEZWBVOX-UHFFFAOYSA-N 1 0 350.470 2.195 20 30 FEEDRO CNC(=O)c1ccc(C[N@H+](C)CCC(=O)Nc2cccc(C#N)c2)cc1 ZINC000029931533 539868955 /nfs/dbraw/zinc/86/89/55/539868955.db2.gz KNUZAFRVZPWLRR-UHFFFAOYSA-N 1 0 350.422 2.378 20 30 FEEDRO CNC(=O)c1ccc(C[N@H+](C)CCC(=O)Nc2ccccc2C#N)cc1 ZINC000029931395 539869114 /nfs/dbraw/zinc/86/91/14/539869114.db2.gz RUXFUSXYYIZBOL-UHFFFAOYSA-N 1 0 350.422 2.378 20 30 FEEDRO CC[NH+](CC)[C@H](CNC(=O)C(=O)Nc1cccc(OCC#N)c1)CC(C)C ZINC000041334578 540017758 /nfs/dbraw/zinc/01/77/58/540017758.db2.gz ZZWIEQFPHKYWPD-KRWDZBQOSA-N 1 0 374.485 2.400 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2c(F)cc(F)cc2F)CC1 ZINC000076282896 542254299 /nfs/dbraw/zinc/25/42/99/542254299.db2.gz YWLXWCTZQXGCEO-UHFFFAOYSA-N 1 0 355.360 2.199 20 30 FEEDRO C[C@@H](CNC(=O)N1CCN(c2cc(C#N)ccn2)CC1)[N@@H+]1CCCC[C@H]1C ZINC000046338275 540252789 /nfs/dbraw/zinc/25/27/89/540252789.db2.gz BFERFHSAGXVXBT-SJORKVTESA-N 1 0 370.501 2.048 20 30 FEEDRO C[C@@H](CNC(=O)N1CCN(c2cc(C#N)ccn2)CC1)[N@@H+]1CCCC[C@@H]1C ZINC000046338276 540252946 /nfs/dbraw/zinc/25/29/46/540252946.db2.gz BFERFHSAGXVXBT-IRXDYDNUSA-N 1 0 370.501 2.048 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)S(=O)(=O)c1ccc(F)cc1 ZINC000047281120 540301825 /nfs/dbraw/zinc/30/18/25/540301825.db2.gz HZLNCYWAADKGSI-UHFFFAOYSA-N 1 0 361.442 2.450 20 30 FEEDRO N#Cc1ccc(CNC(=O)NCC2([NH+]3CCOCC3)CCCCC2)cc1 ZINC000047793303 540329041 /nfs/dbraw/zinc/32/90/41/540329041.db2.gz YNZWYKSRCRWYCC-UHFFFAOYSA-N 1 0 356.470 2.393 20 30 FEEDRO C[NH+](C)CCOc1cccc(CNC(=O)COc2ccc(C#N)cc2)c1 ZINC000047673042 540323516 /nfs/dbraw/zinc/32/35/16/540323516.db2.gz PCRPCYOIWRENPJ-UHFFFAOYSA-N 1 0 353.422 2.194 20 30 FEEDRO COc1ccc(C#N)cc1NC(=O)C(=O)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000050166009 540401689 /nfs/dbraw/zinc/40/16/89/540401689.db2.gz BFQWLWBURYHVEX-HNNXBMFYSA-N 1 0 372.469 2.134 20 30 FEEDRO C[C@H](Oc1ccccc1C#N)C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000050798866 540414953 /nfs/dbraw/zinc/41/49/53/540414953.db2.gz YUGLXWWMAZIWEL-INIZCTEOSA-N 1 0 370.497 2.000 20 30 FEEDRO C[C@H]1CN(C(=O)C2CC[NH+](CCOc3ccc(C#N)cc3)CC2)C[C@H](C)O1 ZINC000051764631 540443128 /nfs/dbraw/zinc/44/31/28/540443128.db2.gz PVDCTMXAOXOCOK-IRXDYDNUSA-N 1 0 371.481 2.285 20 30 FEEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NCCC[N@H+]1CCCC[C@H]1C ZINC000052842965 540492664 /nfs/dbraw/zinc/49/26/64/540492664.db2.gz GYXUHYVLEMWSGU-CQSZACIVSA-N 1 0 358.486 2.177 20 30 FEEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000054842290 540613419 /nfs/dbraw/zinc/61/34/19/540613419.db2.gz LAACSFLWFAMCJO-UHFFFAOYSA-N 1 0 372.469 2.275 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)CNC(=O)CC(C)(C)C ZINC000056015969 540694408 /nfs/dbraw/zinc/69/44/08/540694408.db2.gz LRLCLTFFOPKPNH-UHFFFAOYSA-N 1 0 358.486 2.001 20 30 FEEDRO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000076299103 542257845 /nfs/dbraw/zinc/25/78/45/542257845.db2.gz LWPHIQCFWIPVBH-ZDUSSCGKSA-N 1 0 368.359 2.116 20 30 FEEDRO C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)CCOc1cccc(C#N)c1 ZINC000057843608 540818796 /nfs/dbraw/zinc/81/87/96/540818796.db2.gz FRWIBJTUJLVELN-AWEZNQCLSA-N 1 0 359.451 2.277 20 30 FEEDRO N#CC1CCN(C(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000057993736 540826493 /nfs/dbraw/zinc/82/64/93/540826493.db2.gz KWKCNFXGOZZBIN-UHFFFAOYSA-N 1 0 369.513 2.139 20 30 FEEDRO COc1cc(/C=C/C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)ccc1OCC#N ZINC000060567597 541117560 /nfs/dbraw/zinc/11/75/60/541117560.db2.gz GRPYRKWGZNZSIU-IWDGFTLQSA-N 1 0 355.438 2.354 20 30 FEEDRO N#Cc1ccc(NC(=O)C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000061970072 541142294 /nfs/dbraw/zinc/14/22/94/541142294.db2.gz HDEBNPGRAABLGJ-UHFFFAOYSA-N 1 0 362.433 2.409 20 30 FEEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)NCCCC[NH+]1CCOCC1 ZINC000063402056 541166798 /nfs/dbraw/zinc/16/67/98/541166798.db2.gz SLVJQRKLFBYJHT-UHFFFAOYSA-N 1 0 356.470 2.368 20 30 FEEDRO Cc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000063821667 541187318 /nfs/dbraw/zinc/18/73/18/541187318.db2.gz MIFVDYYYVNZBIL-GOSISDBHSA-N 1 0 364.449 2.094 20 30 FEEDRO C[C@@H](OC[C@@H]1CCCO1)C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000065930315 541272446 /nfs/dbraw/zinc/27/24/46/541272446.db2.gz QXROYUIHPHGCTN-APWZRJJASA-N 1 0 359.470 2.033 20 30 FEEDRO CN(C(=O)NCc1ccc(C#N)cc1)C1CC[NH+](C2CCOCC2)CC1 ZINC000066178156 541286734 /nfs/dbraw/zinc/28/67/34/541286734.db2.gz HPQWWCGJEUISNT-UHFFFAOYSA-N 1 0 356.470 2.343 20 30 FEEDRO CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000066473118 541323200 /nfs/dbraw/zinc/32/32/00/541323200.db2.gz HSSISJFZLHAEPW-QRQLOZEOSA-N 1 0 373.497 2.315 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N2CCC(NC(=O)Oc3ccccc3)CC2)CC1 ZINC000066489992 541326297 /nfs/dbraw/zinc/32/62/97/541326297.db2.gz KHZMCCZREYUZRF-UHFFFAOYSA-N 1 0 369.465 2.111 20 30 FEEDRO CCN1CCN(C(=O)CC2CC[NH+](Cc3cccc(C#N)c3)CC2)CC1 ZINC000066568415 541337404 /nfs/dbraw/zinc/33/74/04/541337404.db2.gz VOCWLIWUZWSREE-UHFFFAOYSA-N 1 0 354.498 2.324 20 30 FEEDRO C[C@H](CNC(=O)CCC(=O)N(CCC#N)c1ccccc1)[NH+]1CCCC1 ZINC000066620547 541348060 /nfs/dbraw/zinc/34/80/60/541348060.db2.gz GVCHAUADIMEPJC-QGZVFWFLSA-N 1 0 356.470 2.314 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)Nc2cccc(Cl)c2N2CCOCC2)CC1 ZINC000067142183 541423205 /nfs/dbraw/zinc/42/32/05/541423205.db2.gz ORADPFLOXHALLZ-UHFFFAOYSA-N 1 0 361.873 2.460 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)CCNC(=O)N(C)Cc2ccccc2)CC1 ZINC000067305219 541442984 /nfs/dbraw/zinc/44/29/84/541442984.db2.gz DMSZWPKJYNYUQT-UHFFFAOYSA-N 1 0 372.513 2.375 20 30 FEEDRO CCOc1ccc(C#N)cc1NC(=O)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000067326933 541445196 /nfs/dbraw/zinc/44/51/96/541445196.db2.gz SKNCAVRBXHALHG-UHFFFAOYSA-N 1 0 372.469 2.134 20 30 FEEDRO CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2cc(C#N)ccc2OC(C)C)C1 ZINC000067393164 541455105 /nfs/dbraw/zinc/45/51/05/541455105.db2.gz YTLRXDWJYMLJLA-MRXNPFEDSA-N 1 0 372.469 2.132 20 30 FEEDRO N#Cc1ccc(OC[C@@H](O)CN2CC[NH+](CC3CCCCC3)CC2)cc1 ZINC000067648804 541494975 /nfs/dbraw/zinc/49/49/75/541494975.db2.gz DOSGVNCZNAOVFT-FQEVSTJZSA-N 1 0 357.498 2.496 20 30 FEEDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)Nc3ccn(-c4cccc(F)c4C#N)n3)[C@@H]2C1 ZINC000542839630 541484303 /nfs/dbraw/zinc/48/43/03/541484303.db2.gz IQTSYVBHWZPNDX-CXAGYDPISA-N 1 0 368.416 2.441 20 30 FEEDRO C[NH+]1CCN(C[C@H](NC(=O)c2sccc2C#N)c2ccccc2)CC1 ZINC000068023771 541539626 /nfs/dbraw/zinc/53/96/26/541539626.db2.gz LLDKYRALLAIDCK-KRWDZBQOSA-N 1 0 354.479 2.338 20 30 FEEDRO C[C@H](OC[C@@H]1CCCO1)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000068791406 541628873 /nfs/dbraw/zinc/62/88/73/541628873.db2.gz FKWWGEXKGVKJKT-LPHOPBHVSA-N 1 0 359.470 2.033 20 30 FEEDRO CC[N@H+](CCNC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1)C1CC1 ZINC000069111079 541658112 /nfs/dbraw/zinc/65/81/12/541658112.db2.gz GQTNBJYNTHZHFU-INIZCTEOSA-N 1 0 373.476 2.450 20 30 FEEDRO CC(C)[N@H+](C)CCNC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000069111091 541658193 /nfs/dbraw/zinc/65/81/93/541658193.db2.gz PJOKGEPVGIRAEY-MRXNPFEDSA-N 1 0 361.465 2.306 20 30 FEEDRO C[C@H](NC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1)c1ccc(C#N)cc1 ZINC000069930971 541724731 /nfs/dbraw/zinc/72/47/31/541724731.db2.gz USFDTTYWDTXPFV-FUHWJXTLSA-N 1 0 356.470 2.373 20 30 FEEDRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)CSCc1ccc(C#N)cc1 ZINC000072051927 541780975 /nfs/dbraw/zinc/78/09/75/541780975.db2.gz IDEYFEHBLMBMDK-SFHVURJKSA-N 1 0 361.511 2.361 20 30 FEEDRO N#Cc1c(Cl)cccc1S(=O)(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000072990887 541905135 /nfs/dbraw/zinc/90/51/35/541905135.db2.gz OUQFCGYLKACYOF-CYBMUJFWSA-N 1 0 353.875 2.461 20 30 FEEDRO COc1cc(C#N)ccc1OCC(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000074297605 542066210 /nfs/dbraw/zinc/06/62/10/542066210.db2.gz RMLQQWDUVXPPIN-KRWDZBQOSA-N 1 0 357.454 2.136 20 30 FEEDRO C[C@H](C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1)[NH+]1CCCCCC1 ZINC000074674045 542111345 /nfs/dbraw/zinc/11/13/45/542111345.db2.gz OOLPLIYTRHWDEP-UYAOXDASSA-N 1 0 354.498 2.487 20 30 FEEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000076333941 542261883 /nfs/dbraw/zinc/26/18/83/542261883.db2.gz GLRDJLKBMPJCDL-UONOGXRCSA-N 1 0 372.494 2.372 20 30 FEEDRO N#CCc1ccc(NC(=O)C(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000076541616 542290493 /nfs/dbraw/zinc/29/04/93/542290493.db2.gz XWTLHFPRFOYYNZ-KRWDZBQOSA-N 1 0 354.454 2.026 20 30 FEEDRO Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)NC1(C#N)CC[NH+](C)CC1 ZINC000077039997 542343970 /nfs/dbraw/zinc/34/39/70/542343970.db2.gz HMBKCLSTRPSBDR-UHFFFAOYSA-N 1 0 369.444 2.275 20 30 FEEDRO N#Cc1c(NC(=O)CC[NH+]2CCC(CC(N)=O)CC2)sc2c1CCCC2 ZINC000077168475 542349817 /nfs/dbraw/zinc/34/98/17/542349817.db2.gz MZSZTPIWLVGGEA-UHFFFAOYSA-N 1 0 374.510 2.415 20 30 FEEDRO C[NH+]1CCC(C#N)(NC(=O)Cc2ccc(F)c(Br)c2)CC1 ZINC000077496563 542389096 /nfs/dbraw/zinc/38/90/96/542389096.db2.gz UFJIFOHTNKVHHJ-UHFFFAOYSA-N 1 0 354.223 2.235 20 30 FEEDRO COc1cc(/C=C/C(=O)NC[C@@H](C)C[NH+]2CCCC2)ccc1OCC#N ZINC000077667186 542406241 /nfs/dbraw/zinc/40/62/41/542406241.db2.gz WJJMKAOZMOAEMT-IQIBNGDESA-N 1 0 357.454 2.459 20 30 FEEDRO CC(C)[C@H](C#N)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000078451656 542462243 /nfs/dbraw/zinc/46/22/43/542462243.db2.gz WIIIVDCEZCLQRL-PMACEKPBSA-N 1 0 354.498 2.343 20 30 FEEDRO COc1cc(C#N)ccc1OCC(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000078588413 542469696 /nfs/dbraw/zinc/46/96/96/542469696.db2.gz PWECQELCJVABIT-UHFFFAOYSA-N 1 0 353.422 2.324 20 30 FEEDRO C[NH+](C)CCN(Cc1ccccc1)C(=O)C(=O)Nc1ccc(C#N)cc1 ZINC000080272479 542581586 /nfs/dbraw/zinc/58/15/86/542581586.db2.gz HFOOWGOKPAVQNY-UHFFFAOYSA-N 1 0 350.422 2.087 20 30 FEEDRO N#C[C@H](c1ccccc1)N1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC000081120620 542634441 /nfs/dbraw/zinc/63/44/41/542634441.db2.gz PPDJMVVCUYXAOF-HSALFYBXSA-N 1 0 352.482 2.270 20 30 FEEDRO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1CCC(c2nnc[nH]2)CC1 ZINC000083446213 542697593 /nfs/dbraw/zinc/69/75/93/542697593.db2.gz JVSBXCACYHYXKA-XAUUPUKJSA-N 1 0 358.490 2.303 20 30 FEEDRO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000085789047 542731459 /nfs/dbraw/zinc/73/14/59/542731459.db2.gz ICOXZBIUOYPQOI-MRXNPFEDSA-N 1 0 367.471 2.254 20 30 FEEDRO C[NH+]=C(NCc1coc(-c2ccccc2)n1)N1CCC(C(=O)OC)CC1 ZINC000088374526 542750559 /nfs/dbraw/zinc/75/05/59/542750559.db2.gz ILYDGHXKBLMIKH-UHFFFAOYSA-N 1 0 356.426 2.302 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2cnc(-c3ccco3)s2)c1C#N ZINC000089675559 542768438 /nfs/dbraw/zinc/76/84/38/542768438.db2.gz RYGYQRJWNBFTRN-UHFFFAOYSA-N 1 0 356.411 2.402 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(-c3ccc(F)cc3)[nH]n2)c1C#N ZINC000089673600 542768538 /nfs/dbraw/zinc/76/85/38/542768538.db2.gz QPCJPIZZFRUBFX-UHFFFAOYSA-N 1 0 367.388 2.215 20 30 FEEDRO Cc1nn(-c2ccccc2)c(CN2CCC([N@H+](C)CCCO)CC2)c1C#N ZINC000091069797 542793297 /nfs/dbraw/zinc/79/32/97/542793297.db2.gz KNKSKESTLBJWDB-UHFFFAOYSA-N 1 0 367.497 2.331 20 30 FEEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(OCc2ccc(F)cc2)CC1 ZINC000091886584 542830034 /nfs/dbraw/zinc/83/00/34/542830034.db2.gz HQOZISJWFWHONG-AWEZNQCLSA-N 1 0 363.433 2.207 20 30 FEEDRO CCOc1ccc(O)c(C[N@@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)c1 ZINC000091936855 542833233 /nfs/dbraw/zinc/83/32/33/542833233.db2.gz JTTVCBNPHDCXIG-AWEZNQCLSA-N 1 0 353.426 2.163 20 30 FEEDRO C[C@H](CNC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1)[N@H+](C)C1CC1 ZINC000092235949 542850728 /nfs/dbraw/zinc/85/07/28/542850728.db2.gz DYZQENBUFRKYDP-MXWWQKGMSA-N 1 0 371.485 2.425 20 30 FEEDRO COc1ccccc1COC1CC[NH+](CCC(=O)N(C)CCC#N)CC1 ZINC000092808918 542888074 /nfs/dbraw/zinc/88/80/74/542888074.db2.gz IMXPLUCUWYRQIX-UHFFFAOYSA-N 1 0 359.470 2.438 20 30 FEEDRO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccc(F)c(C#N)c1)c1cccs1 ZINC000102962195 543086963 /nfs/dbraw/zinc/08/69/63/543086963.db2.gz IGROASXZBVPDKA-CQSZACIVSA-N 1 0 360.414 2.116 20 30 FEEDRO C=CCc1ccccc1OC[C@@H](O)C[NH+]1CCC(N2CCCC2=O)CC1 ZINC000104968009 543152773 /nfs/dbraw/zinc/15/27/73/543152773.db2.gz RHDKOMITUMKUCJ-IBGZPJMESA-N 1 0 358.482 2.242 20 30 FEEDRO COCCN(CC[NH+](C)C)C(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000105036540 543155716 /nfs/dbraw/zinc/15/57/16/543155716.db2.gz KVESBBBLPDUOQS-UHFFFAOYSA-N 1 0 356.373 2.202 20 30 FEEDRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N(CCC#N)CCC(C)C)CC1=O ZINC000105329477 543171479 /nfs/dbraw/zinc/17/14/79/543171479.db2.gz OPBXGWWVUVEEHK-QZTJIDSGSA-N 1 0 362.518 2.108 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)c2ccc(N3C[C@@H](C)O[C@H](C)C3)nc2)CC1 ZINC000106037732 543186100 /nfs/dbraw/zinc/18/61/00/543186100.db2.gz KXEVYFLCEXXQCC-IAGOWNOFSA-N 1 0 372.513 2.466 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@H]2CSCN2C(=O)CCCC)CC1 ZINC000106034676 543186124 /nfs/dbraw/zinc/18/61/24/543186124.db2.gz JWEBBSVQYCRDKC-MRXNPFEDSA-N 1 0 353.532 2.235 20 30 FEEDRO CC(C)(C)[C@@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2)C(N)=O ZINC000106444727 543230260 /nfs/dbraw/zinc/23/02/60/543230260.db2.gz LSNVVMMINNAXNI-HNNXBMFYSA-N 1 0 362.499 2.317 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)c2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000106774833 543246114 /nfs/dbraw/zinc/24/61/14/543246114.db2.gz REGLWVCBMSGKMB-UHFFFAOYSA-N 1 0 361.461 2.433 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)NCc2ccnc(N3CCCCCC3)c2)CC1 ZINC000107178263 543262839 /nfs/dbraw/zinc/26/28/39/543262839.db2.gz VPAIVRNLMQWPEV-UHFFFAOYSA-N 1 0 354.498 2.423 20 30 FEEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000107524564 543271985 /nfs/dbraw/zinc/27/19/85/543271985.db2.gz HYMJYAPPUPIQAW-QGZVFWFLSA-N 1 0 370.497 2.273 20 30 FEEDRO N#CCCSc1ccccc1NC(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000108613191 543297704 /nfs/dbraw/zinc/29/77/04/543297704.db2.gz HWHCGJJVUSGGAX-HNNXBMFYSA-N 1 0 372.494 2.328 20 30 FEEDRO N#CCCN(C(=O)CCC(=O)N1CCN(C2CC2)CC1)c1ccccc1 ZINC000108891833 543307008 /nfs/dbraw/zinc/30/70/08/543307008.db2.gz QNTBTOVGQQUZLM-UHFFFAOYSA-N 1 0 354.454 2.020 20 30 FEEDRO CC(C)(C)C[N@H+](CCC#N)CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000109813121 543340137 /nfs/dbraw/zinc/34/01/37/543340137.db2.gz BTZWCKXFKYQIOX-UHFFFAOYSA-N 1 0 357.502 2.382 20 30 FEEDRO COc1cc(C#N)ccc1OCCCC(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000110520834 543360729 /nfs/dbraw/zinc/36/07/29/543360729.db2.gz NQJWWYXSMQSJGT-KRWDZBQOSA-N 1 0 357.454 2.423 20 30 FEEDRO CNC(=O)[C@H]1CCC[N@H+](CC(=O)N(CCC#N)c2cccc(C)c2C)C1 ZINC000111265902 543390984 /nfs/dbraw/zinc/39/09/84/543390984.db2.gz QSEUYRYKQZTSBW-KRWDZBQOSA-N 1 0 356.470 2.008 20 30 FEEDRO COc1ccc(C[NH+]2CCC(CNS(=O)(=O)CCCC#N)CC2)cc1 ZINC000111334591 543397021 /nfs/dbraw/zinc/39/70/21/543397021.db2.gz PZZDNMHLRUBWEQ-UHFFFAOYSA-N 1 0 365.499 2.130 20 30 FEEDRO N#CCCCS(=O)(=O)NCC1CC[NH+](Cc2ccccc2F)CC1 ZINC000111341606 543397617 /nfs/dbraw/zinc/39/76/17/543397617.db2.gz ZRXLCGZXERREQE-UHFFFAOYSA-N 1 0 353.463 2.261 20 30 FEEDRO C=CCOc1ccccc1CNC(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000111813833 543416850 /nfs/dbraw/zinc/41/68/50/543416850.db2.gz TUAUDRFOKFZWJP-UHFFFAOYSA-N 1 0 360.502 2.077 20 30 FEEDRO CN(CCC#N)c1ccc(C[NH2+][C@@H]2CCN(CC(F)(F)F)C2=O)cc1 ZINC000112101994 543430439 /nfs/dbraw/zinc/43/04/39/543430439.db2.gz PAKAHSMUIHWJIV-OAHLLOKOSA-N 1 0 354.376 2.289 20 30 FEEDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1)CC2 ZINC000112549562 543451559 /nfs/dbraw/zinc/45/15/59/543451559.db2.gz DQZMBXWTCNJGEX-YGRLFVJLSA-N 1 0 358.833 2.043 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1ccc2c(c1)C(=O)N(C)C2=O)C(C)C ZINC000112919769 543468271 /nfs/dbraw/zinc/46/82/71/543468271.db2.gz YCHZJZGGGBJZAX-SFHVURJKSA-N 1 0 369.465 2.341 20 30 FEEDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)N1CCN(c2ncccc2C#N)CC1 ZINC000113406855 543487169 /nfs/dbraw/zinc/48/71/69/543487169.db2.gz NHMUDODEJHZWTD-SFHVURJKSA-N 1 0 370.501 2.049 20 30 FEEDRO C[NH+]=C(NCc1ccc(S(C)(=O)=O)cc1)N(C)Cc1cccc(F)c1 ZINC000114084187 543503849 /nfs/dbraw/zinc/50/38/49/543503849.db2.gz NBBMMUNPMCFCGK-UHFFFAOYSA-N 1 0 363.458 2.437 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCNC(=O)C[C@@H]2c2ccccc2)CC1 ZINC000114960518 543547944 /nfs/dbraw/zinc/54/79/44/543547944.db2.gz JSHSJPSQDDXONS-LJQANCHMSA-N 1 0 370.497 2.300 20 30 FEEDRO N#Cc1ccc([C@@H](NCC2([NH+]3CCSCC3)CCCCC2)C(N)=O)cc1 ZINC000115600170 543577596 /nfs/dbraw/zinc/57/75/96/543577596.db2.gz KGKLWNQAKFAHCX-GOSISDBHSA-N 1 0 372.538 2.426 20 30 FEEDRO C[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cccc(C#Cc2ccccc2)c1 ZINC000118104348 543645222 /nfs/dbraw/zinc/64/52/22/543645222.db2.gz DPTCTWOQTIJMKF-HXUWFJFHSA-N 1 0 361.445 2.235 20 30 FEEDRO CC1CC[NH+](C[C@@H]2CCCN(CC(=O)N(CCC#N)CCC#N)C2)CC1 ZINC000118832773 543660420 /nfs/dbraw/zinc/66/04/20/543660420.db2.gz QOBMTKRBQYTGRD-IBGZPJMESA-N 1 0 359.518 2.086 20 30 FEEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000118898982 543661412 /nfs/dbraw/zinc/66/14/12/543661412.db2.gz YXSRGFOMCATKJQ-CABCVRRESA-N 1 0 374.510 2.477 20 30 FEEDRO C=CCc1cc(CN2CCN(CC[NH+]3CCCC3)CC2)cc(OC)c1O ZINC000119517592 543668808 /nfs/dbraw/zinc/66/88/08/543668808.db2.gz LVZZWPIEDAULGE-UHFFFAOYSA-N 1 0 359.514 2.343 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCC(c2nncn2C)CC1)C(C)C ZINC000119706086 543670427 /nfs/dbraw/zinc/67/04/27/543670427.db2.gz ZQOXLVAVFLKSFS-SFHVURJKSA-N 1 0 374.533 2.403 20 30 FEEDRO C[C@@H](C[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F)C[NH+]1CCCCC1 ZINC000124328263 543814237 /nfs/dbraw/zinc/81/42/37/543814237.db2.gz TZUBGGNJAYIDJA-LBPRGKRZSA-N 1 0 357.426 2.237 20 30 FEEDRO C=CCOc1ccc(C[N@@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)cc1OC ZINC000124483329 543824962 /nfs/dbraw/zinc/82/49/62/543824962.db2.gz SRQRAGCDBQKBCA-SFHVURJKSA-N 1 0 374.481 2.331 20 30 FEEDRO N#Cc1cnc2ccccc2c1N1CCN(Cc2cc(=O)c(O)co2)CC1 ZINC000124267548 543810784 /nfs/dbraw/zinc/81/07/84/543810784.db2.gz PFLHKBWVXPHZJP-UHFFFAOYSA-N 1 0 362.389 2.087 20 30 FEEDRO Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3C[C@H](C)CCC[C@@H]3C)CC2)o1 ZINC000125439743 543881816 /nfs/dbraw/zinc/88/18/16/543881816.db2.gz TVBUDMAUFQQEBP-CABCVRRESA-N 1 0 359.474 2.014 20 30 FEEDRO Cc1ccc(NC(=O)C[N@H+](C)CCCc2[nH]nc(N)c2C#N)c(Cl)c1 ZINC000125448125 543881988 /nfs/dbraw/zinc/88/19/88/543881988.db2.gz ZJCUNBTUQJIJBE-UHFFFAOYSA-N 1 0 360.849 2.329 20 30 FEEDRO C=CCCOCCNC(=O)N1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000127231415 543979832 /nfs/dbraw/zinc/97/98/32/543979832.db2.gz BICPRBPVYWGXEB-IRXDYDNUSA-N 1 0 353.507 2.110 20 30 FEEDRO C=CCC[C@@H](CC)[NH2+]Cc1ccccc1S(=O)(=O)N1CCN(C)CC1 ZINC000127804269 544014542 /nfs/dbraw/zinc/01/45/42/544014542.db2.gz YGYZJIBYUKAXSK-GOSISDBHSA-N 1 0 365.543 2.457 20 30 FEEDRO C=CCOc1cc(OC)ccc1C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000127675212 544007071 /nfs/dbraw/zinc/00/70/71/544007071.db2.gz UMWOYUAXTPEUGG-QGZVFWFLSA-N 1 0 374.481 2.444 20 30 FEEDRO C=CCNC(=O)NC(=O)[C@H](C)N1CC[C@H](Oc2ccccc2Cl)C1 ZINC000128513457 544056679 /nfs/dbraw/zinc/05/66/79/544056679.db2.gz GNUDTJKVUXKWLC-STQMWFEESA-N 1 0 351.834 2.193 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N(CC(=O)OCC)[C@H](C)c2ccccc2)CC1 ZINC000129333604 544106044 /nfs/dbraw/zinc/10/60/44/544106044.db2.gz HKWXPRZRGVLFBA-QGZVFWFLSA-N 1 0 356.466 2.485 20 30 FEEDRO C=CCNC(=O)c1ccc(NC(=O)NC[C@H](CC[NH+](C)C)OCC)cc1 ZINC000129490096 544115123 /nfs/dbraw/zinc/11/51/23/544115123.db2.gz HRGACABIDPNXBD-KRWDZBQOSA-N 1 0 362.474 2.081 20 30 FEEDRO CN1CC[NH+](CCCCNC(=O)N[C@H](CCC#N)c2ccccc2)CC1 ZINC000131794511 544207240 /nfs/dbraw/zinc/20/72/40/544207240.db2.gz RIIMVCMSQSLUNW-LJQANCHMSA-N 1 0 357.502 2.358 20 30 FEEDRO CC[NH+](CC)CCOc1ccc(NC(=O)C(=O)N(C)[C@H](C)CC#N)cc1 ZINC000132248758 544224053 /nfs/dbraw/zinc/22/40/53/544224053.db2.gz IXHOVQCURSBBPP-OAHLLOKOSA-N 1 0 360.458 2.106 20 30 FEEDRO C=C[C@H](C)NC(=O)C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCC2)cc1 ZINC000133766563 544282655 /nfs/dbraw/zinc/28/26/55/544282655.db2.gz LTLWPTQMSRYELE-HNNXBMFYSA-N 1 0 372.469 2.130 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2cnc(-c3ccccn3)s2)c1C#N ZINC000133794008 544283589 /nfs/dbraw/zinc/28/35/89/544283589.db2.gz OWSIIDHERMRHHX-UHFFFAOYSA-N 1 0 367.438 2.204 20 30 FEEDRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)Nc1ccc(C#N)cc1F ZINC000135835110 544361855 /nfs/dbraw/zinc/36/18/55/544361855.db2.gz USJPZILVXOSZRF-CQSZACIVSA-N 1 0 360.433 2.407 20 30 FEEDRO C[C@@H]1CCC[C@](CNC(=O)C(=O)Nc2ccc(C#N)cc2F)([NH+](C)C)C1 ZINC000136023007 544365018 /nfs/dbraw/zinc/36/50/18/544365018.db2.gz WUCYODDCGWBQRS-YJYMSZOUSA-N 1 0 360.433 2.263 20 30 FEEDRO C=CCOc1ccc(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)cc1OC ZINC000136867109 544380435 /nfs/dbraw/zinc/38/04/35/544380435.db2.gz AXDAMYLTFXLWPA-INIZCTEOSA-N 1 0 374.481 2.491 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccnc(-n2cccn2)c1 ZINC000150716674 544463957 /nfs/dbraw/zinc/46/39/57/544463957.db2.gz PFTJLFIADNTMPV-UHFFFAOYSA-N 1 0 374.448 2.343 20 30 FEEDRO C=C(C)COc1cccc(NC(=O)C(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c1 ZINC000151918893 544595546 /nfs/dbraw/zinc/59/55/46/544595546.db2.gz LGZDEVHOHPRUDE-ZBFHGGJFSA-N 1 0 357.454 2.321 20 30 FEEDRO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N2CCO[C@@H](C#N)C2)C1 ZINC000247536243 549353057 /nfs/dbraw/zinc/35/30/57/549353057.db2.gz CNHDIZUEJXLYGT-LPHOPBHVSA-N 1 0 356.470 2.352 20 30 FEEDRO C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)NCCCCC#N)[C@@H]1c1cccs1 ZINC000553271990 674250035 /nfs/dbraw/zinc/25/00/35/674250035.db2.gz LPIZZXIHQKYMIW-GOEBONIOSA-N 1 0 362.499 2.057 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(C)[C@H]2CC[C@H](SCC)C2)CC1 ZINC000553397637 674257844 /nfs/dbraw/zinc/25/78/44/674257844.db2.gz VWIDLHATOGHYNH-IRXDYDNUSA-N 1 0 367.559 2.276 20 30 FEEDRO COc1ccc(C[NH2+]C2CCN(S(=O)(=O)CC(C)C)CC2)cc1C#N ZINC000181117306 327716889 /nfs/dbraw/zinc/71/68/89/327716889.db2.gz GPKYSYYOONMBGT-UHFFFAOYSA-N 1 0 365.499 2.107 20 30 FEEDRO C[C@H](c1cccc(C#N)c1)[NH+]1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 ZINC000188375466 328083351 /nfs/dbraw/zinc/08/33/51/328083351.db2.gz HJQLVVOVCWSUCJ-OAHLLOKOSA-N 1 0 368.481 2.055 20 30 FEEDRO Cc1nc(C#N)c(N2CCC(C(=O)NCCC[NH+]3CCC(C)CC3)CC2)o1 ZINC000188893261 328116177 /nfs/dbraw/zinc/11/61/77/328116177.db2.gz NPMWMLFACPYMIZ-UHFFFAOYSA-N 1 0 373.501 2.309 20 30 FEEDRO Cc1nc(C#N)c(N2CCC(C(=O)N[C@H](C)C[N@@H+]3CCC[C@H](C)C3)CC2)o1 ZINC000189219763 328135450 /nfs/dbraw/zinc/13/54/50/328135450.db2.gz PHMBWMQRTNROTR-LSDHHAIUSA-N 1 0 373.501 2.308 20 30 FEEDRO Cc1cccc(NC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCCC2)c1C#N ZINC000189385302 328144612 /nfs/dbraw/zinc/14/46/12/328144612.db2.gz WJAUSOVZQYEWCB-INIZCTEOSA-N 1 0 354.454 2.282 20 30 FEEDRO CCCN(CCC[NH+](C)C)C(=O)C(=O)Nc1ccc(Cl)c(C#N)c1 ZINC000190159893 328191649 /nfs/dbraw/zinc/19/16/49/328191649.db2.gz JPXBBOVLHKHEFW-UHFFFAOYSA-N 1 0 350.850 2.340 20 30 FEEDRO C[C@@H](CC(=O)OC(C)(C)C)[NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000190614860 328219725 /nfs/dbraw/zinc/21/97/25/328219725.db2.gz ZLPFPSMUSDRPBF-WMLDXEAASA-N 1 0 357.454 2.369 20 30 FEEDRO CCc1n[nH]c(C2CC[NH+](CCC(=O)Nc3ccccc3C#N)CC2)n1 ZINC000190677925 328224231 /nfs/dbraw/zinc/22/42/31/328224231.db2.gz SELICCAERHQPIG-UHFFFAOYSA-N 1 0 352.442 2.447 20 30 FEEDRO Cn1cc(C[NH2+]CC2CCN(S(=O)(=O)c3ccccc3)CC2)cc1C#N ZINC000190960597 328242222 /nfs/dbraw/zinc/24/22/22/328242222.db2.gz XTDNKUGQRBIKMX-UHFFFAOYSA-N 1 0 372.494 2.087 20 30 FEEDRO C[C@H](C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)[NH+]1CCCCCC1 ZINC000191075958 328248578 /nfs/dbraw/zinc/24/85/78/328248578.db2.gz ODQHMLBOCFVLBE-VQIMIIECSA-N 1 0 368.481 2.040 20 30 FEEDRO CC(C)Cn1cc(C[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cn1 ZINC000192245134 328308786 /nfs/dbraw/zinc/30/87/86/328308786.db2.gz MLXVJHZMMPNYNE-IBGZPJMESA-N 1 0 351.454 2.301 20 30 FEEDRO C[C@@H](CNC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C)[N@@H+]1CCC[C@@H](C)C1 ZINC000192565160 328326283 /nfs/dbraw/zinc/32/62/83/328326283.db2.gz OYZSPWYFGXYROF-CABCVRRESA-N 1 0 373.501 2.290 20 30 FEEDRO CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)NCC[NH+]1CCCCCC1 ZINC000192566390 328326294 /nfs/dbraw/zinc/32/62/94/328326294.db2.gz GMOAJGDZEPXOEG-UHFFFAOYSA-N 1 0 359.474 2.045 20 30 FEEDRO N#Cc1ccsc1C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000052028810 324711099 /nfs/dbraw/zinc/71/10/99/324711099.db2.gz ROBQMKZSHLBOPU-UHFFFAOYSA-N 1 0 354.479 2.167 20 30 FEEDRO Cc1ccc(C#N)cc1NC(=O)C(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000057666171 324829328 /nfs/dbraw/zinc/82/93/28/324829328.db2.gz CIHAFAOUWYLRQR-GJZGRUSLSA-N 1 0 356.470 2.289 20 30 FEEDRO CC[NH+](CC)CCN(CC(C)C)C(=O)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000077539503 324995074 /nfs/dbraw/zinc/99/50/74/324995074.db2.gz KEXKIBAMHVBIRZ-UHFFFAOYSA-N 1 0 362.449 2.462 20 30 FEEDRO C[C@H](NC(=O)N1CCN(c2ccccc2C#N)CC1)C(C)(C)C[NH+](C)C ZINC000085365656 325251429 /nfs/dbraw/zinc/25/14/29/325251429.db2.gz JWYWFGSQMUYBTH-INIZCTEOSA-N 1 0 357.502 2.366 20 30 FEEDRO CCN(C)[C@@H](C(=O)Nc1n[nH]c(CCC[NH2+]C)c1C#N)c1ccccc1 ZINC000089676158 325326863 /nfs/dbraw/zinc/32/68/63/325326863.db2.gz YKEAYSZPLPEGCW-QGZVFWFLSA-N 1 0 354.458 2.065 20 30 FEEDRO N#Cc1ccsc1NC(=O)C[NH2+][C@@H](CN1CCOCC1)c1ccccc1 ZINC000102700819 325497240 /nfs/dbraw/zinc/49/72/40/325497240.db2.gz LKCJGXJCWYMJOT-KRWDZBQOSA-N 1 0 370.478 2.221 20 30 FEEDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1)CC2 ZINC000112549559 325789493 /nfs/dbraw/zinc/78/94/93/325789493.db2.gz DQZMBXWTCNJGEX-HZMBPMFUSA-N 1 0 358.833 2.043 20 30 FEEDRO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)COc1ccc(C#N)cc1 ZINC000116253136 326002252 /nfs/dbraw/zinc/00/22/52/326002252.db2.gz YCVKUVPHQCEHJG-JXFKEZNVSA-N 1 0 364.449 2.359 20 30 FEEDRO N#Cc1ccc(OC[C@H](O)C[N@H+](C[C@@H]2CCCO2)[C@@H]2CCSC2)cc1 ZINC000119410297 326158938 /nfs/dbraw/zinc/15/89/38/326158938.db2.gz FEECUTYPPJRFDG-LMMKCTJWSA-N 1 0 362.495 2.284 20 30 FEEDRO N#Cc1ccc(NC(=O)C(=O)N2CC[NH+](C3CCCC3)CC2)cc1Cl ZINC000120450250 326259547 /nfs/dbraw/zinc/25/95/47/326259547.db2.gz VBDNDPJFYQNUGE-UHFFFAOYSA-N 1 0 360.845 2.237 20 30 FEEDRO CCOc1ccnc(N2CCC[N@H+](Cc3ccc(C#N)cc3OC)CC2)n1 ZINC000121262929 326325668 /nfs/dbraw/zinc/32/56/68/326325668.db2.gz ULTKLVWYHOEOOE-UHFFFAOYSA-N 1 0 367.453 2.468 20 30 FEEDRO C[N@H+](CCCc1[nH]nc(N)c1C#N)[C@@H]1CCCN(c2ccccc2F)C1=O ZINC000121463714 326340628 /nfs/dbraw/zinc/34/06/28/326340628.db2.gz NTHHIKFOKZNVHQ-QGZVFWFLSA-N 1 0 370.432 2.063 20 30 FEEDRO N#Cc1cc(F)c(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)c(F)c1 ZINC000122291384 326390918 /nfs/dbraw/zinc/39/09/18/326390918.db2.gz KRJLAORFVXFRJH-SJORKVTESA-N 1 0 363.408 2.334 20 30 FEEDRO C[C@@H]([NH3+])[C@@H]1CCCN(S(=O)(=O)c2cc(Br)cc(C#N)c2)C1 ZINC000124327033 326451881 /nfs/dbraw/zinc/45/18/81/326451881.db2.gz VAPSBUDVAWXNCT-ZYHUDNBSSA-N 1 0 372.288 2.069 20 30 FEEDRO N#Cc1cc(F)c(S(=O)(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)c(F)c1 ZINC000125707256 326476510 /nfs/dbraw/zinc/47/65/10/326476510.db2.gz CQYSWBPIJUFFBM-CYBMUJFWSA-N 1 0 369.437 2.333 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2ccn(-c3ccc(F)cc3)n2)c1C#N ZINC000128119462 326518242 /nfs/dbraw/zinc/51/82/42/326518242.db2.gz JPOAYYHKYNMWJH-UHFFFAOYSA-N 1 0 367.388 2.010 20 30 FEEDRO COCC[NH+]1[C@H](C)CN(Cc2nnc(-c3ccc(C#N)cc3)o2)C[C@H]1C ZINC000129713383 326545276 /nfs/dbraw/zinc/54/52/76/326545276.db2.gz RAXBEVFFQNKHBU-HUUCEWRRSA-N 1 0 355.442 2.149 20 30 FEEDRO COc1cccc([C@@H](CNC(=O)CNc2cccc(C#N)c2)[NH+](C)C)c1 ZINC000151142313 326675726 /nfs/dbraw/zinc/67/57/26/326675726.db2.gz FRRORPRAGAINEQ-LJQANCHMSA-N 1 0 352.438 2.398 20 30 FEEDRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(CCOc2ccccc2C#N)CC1 ZINC000153910871 326746106 /nfs/dbraw/zinc/74/61/06/326746106.db2.gz NGAJAVGYUJJINV-RTBURBONSA-N 1 0 356.514 2.427 20 30 FEEDRO N#Cc1ccc(NC(=O)CC[N@@H+]2CC[C@H]3[C@H](CCC(=O)N3C3CC3)C2)cc1 ZINC000162964648 327039043 /nfs/dbraw/zinc/03/90/43/327039043.db2.gz CYUHXLORCFLQCH-APWZRJJASA-N 1 0 366.465 2.362 20 30 FEEDRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)Nc2cc(C#N)ccc2C)CC1=O ZINC000171541442 327144981 /nfs/dbraw/zinc/14/49/81/327144981.db2.gz ODZQYNWAKVILQX-IAGOWNOFSA-N 1 0 354.454 2.138 20 30 FEEDRO N#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@H](OCCO)C2)cc1Cl ZINC000172295728 327193648 /nfs/dbraw/zinc/19/36/48/327193648.db2.gz GBBLMAMZKILVCW-HNNXBMFYSA-N 1 0 351.834 2.014 20 30 FEEDRO CCOc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H](C(CC)CC)[NH+](C)C ZINC000172305466 327194621 /nfs/dbraw/zinc/19/46/21/327194621.db2.gz KWNRGXCSFDTMQB-KRWDZBQOSA-N 1 0 374.485 2.378 20 30 FEEDRO CN1CC[NH+]([C@@H]2CCCCN(C(=O)CCc3ccc(C#N)cc3)C2)CC1 ZINC000173281160 327246641 /nfs/dbraw/zinc/24/66/41/327246641.db2.gz LOXXEMAZDLPYJW-HXUWFJFHSA-N 1 0 354.498 2.119 20 30 FEEDRO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000174629541 327339794 /nfs/dbraw/zinc/33/97/94/327339794.db2.gz JSKZFDYUCFPOGR-LLVKDONJSA-N 1 0 370.375 2.362 20 30 FEEDRO Cc1cccc(NC(=O)C(=O)N[C@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)c1C#N ZINC000174789098 327351072 /nfs/dbraw/zinc/35/10/72/327351072.db2.gz XBMMVZVTFVNCRE-OFQRWUPVSA-N 1 0 356.470 2.288 20 30 FEEDRO N#Cc1ccc(OC[C@H](O)C[NH+]2CCC(OC[C@@H]3CCCCO3)CC2)cc1 ZINC000177610952 327533290 /nfs/dbraw/zinc/53/32/90/327533290.db2.gz GHCNYCLKQHDDCH-NQIIRXRSSA-N 1 0 374.481 2.348 20 30 FEEDRO CN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000177624631 327534034 /nfs/dbraw/zinc/53/40/34/327534034.db2.gz JRUIEOHPCNPGLG-UHFFFAOYSA-N 1 0 361.389 2.292 20 30 FEEDRO CC[NH+]1CCN([C@@H]2CCN(C(=O)N[C@H](C)c3ccc(C#N)cc3)C2)CC1 ZINC000264370375 329015340 /nfs/dbraw/zinc/01/53/40/329015340.db2.gz GKODIRJTFYIGBB-VQIMIIECSA-N 1 0 355.486 2.041 20 30 FEEDRO N#Cc1cccc(OCCCCC(=O)NCCCC[NH+]2CCOCC2)c1 ZINC000264656185 329045138 /nfs/dbraw/zinc/04/51/38/329045138.db2.gz HUDDKYMBBIMFNK-UHFFFAOYSA-N 1 0 359.470 2.336 20 30 FEEDRO CC(C)[NH+]1CCC(N2CCN(c3nc4c(cc3C#N)CCC4)CC2)CC1 ZINC000269321522 329507571 /nfs/dbraw/zinc/50/75/71/329507571.db2.gz JGZORYJWWOFYAT-UHFFFAOYSA-N 1 0 353.514 2.437 20 30 FEEDRO CC(C)[NH+]1CCC(N2CCN(C(=O)NCc3cccc(C#N)c3)CC2)CC1 ZINC000269367680 329511869 /nfs/dbraw/zinc/51/18/69/329511869.db2.gz XRWSNBWAXKDXID-UHFFFAOYSA-N 1 0 369.513 2.258 20 30 FEEDRO C[NH+]1CCC([C@H]2CCN(C(=O)C(=O)Nc3ccc(C#N)c(Cl)c3)C2)CC1 ZINC000270055538 329571266 /nfs/dbraw/zinc/57/12/66/329571266.db2.gz DEQNTDCJQALALS-HNNXBMFYSA-N 1 0 374.872 2.340 20 30 FEEDRO C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)Nc3cc(C#N)ccc3Cl)C2)CC1 ZINC000270235862 329584311 /nfs/dbraw/zinc/58/43/11/329584311.db2.gz MZRXZEXRKBEPHX-OAHLLOKOSA-N 1 0 374.872 2.340 20 30 FEEDRO C[NH+](C)CCNC(=O)c1cccc(CNc2nc3ccccn3c2C#N)c1 ZINC000272875974 329819882 /nfs/dbraw/zinc/81/98/82/329819882.db2.gz FMKLMYKATQQDEE-UHFFFAOYSA-N 1 0 362.437 2.109 20 30 FEEDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)Nc2ccc(C#N)cc2Cl)C1 ZINC000275888812 330100218 /nfs/dbraw/zinc/10/02/18/330100218.db2.gz FJQHPLKPGPCPDH-CJNGLKHVSA-N 1 0 360.845 2.093 20 30 FEEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+](C)CCCCO)c1C#N ZINC000276320321 330140553 /nfs/dbraw/zinc/14/05/53/330140553.db2.gz DDGCXRPZXDXVCR-UHFFFAOYSA-N 1 0 358.442 2.261 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccnn1CC(F)F ZINC000279086936 330174356 /nfs/dbraw/zinc/17/43/56/330174356.db2.gz VRDDPPIPOJYSNM-UHFFFAOYSA-N 1 0 361.396 2.224 20 30 FEEDRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N(C)Cc2cccc(C#N)c2)C1 ZINC000288715328 330187852 /nfs/dbraw/zinc/18/78/52/330187852.db2.gz FXMVXNNDMBFLFF-IBGZPJMESA-N 1 0 370.497 2.001 20 30 FEEDRO COc1cc(C[NH2+]CCC(=O)N2CCOc3ccccc3C2)ccc1C#N ZINC000367098403 330216772 /nfs/dbraw/zinc/21/67/72/330216772.db2.gz GKAMQVVOZDDGCF-UHFFFAOYSA-N 1 0 365.433 2.468 20 30 FEEDRO CCOC(=O)C1CCN(C(=O)C[C@@H](C)[NH2+]CC(C)(C)CCC#N)CC1 ZINC000554067399 674302288 /nfs/dbraw/zinc/30/22/88/674302288.db2.gz LZRDCZWNPLAYAK-OAHLLOKOSA-N 1 0 351.491 2.486 20 30 FEEDRO C#C[C@H](NC(=O)NCCC[N@@H+](C)CCOC)c1ccc(Cl)cc1F ZINC000805180801 674324323 /nfs/dbraw/zinc/32/43/23/674324323.db2.gz DMLRDRSZZLEKCN-INIZCTEOSA-N 1 0 355.841 2.421 20 30 FEEDRO COc1c(Br)cc(Br)cc1C=NNC(N)=[NH2+] ZINC000252447798 521776882 /nfs/dbraw/zinc/77/68/82/521776882.db2.gz PBHRYVPESUELQO-UHFFFAOYSA-N 1 0 350.014 2.037 20 30 FEEDRO COC1(CNC(=O)N(C)C[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)CCC1 ZINC000328645923 522572382 /nfs/dbraw/zinc/57/23/82/522572382.db2.gz ZUSJQPSUKCUERS-DOTOQJQBSA-N 1 0 363.506 2.218 20 30 FEEDRO C[C@H]1CN(c2nccnc2C#N)CCN1Cc1nc2cc(F)ccc2o1 ZINC000155519845 545536861 /nfs/dbraw/zinc/53/68/61/545536861.db2.gz ZVGDZGKGXHBULO-LBPRGKRZSA-N 1 0 352.373 2.339 20 30 FEEDRO CC(=O)N1CC[C@H](C[N@@H+](C)CC(=O)N(CCC#N)c2cccc(C)c2C)C1 ZINC000156623358 545640303 /nfs/dbraw/zinc/64/03/03/545640303.db2.gz ZFAQXJCTSPQARI-LJQANCHMSA-N 1 0 370.497 2.350 20 30 FEEDRO C[C@@H](CCN1CCOCC1)[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000478261607 561163376 /nfs/dbraw/zinc/16/33/76/561163376.db2.gz XWRSYLZYAJXGKT-INIZCTEOSA-N 1 0 353.470 2.159 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cc(N3CCNC3=O)ccc2F)CC1 ZINC000159231101 545934705 /nfs/dbraw/zinc/93/47/05/545934705.db2.gz ZLTDHXZVVXCRPR-UHFFFAOYSA-N 1 0 360.433 2.126 20 30 FEEDRO C[C@@H](c1ccncc1)[NH+]1CCC(N[C@@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000159929318 545993180 /nfs/dbraw/zinc/99/31/80/545993180.db2.gz DSIIMNAHNOQZPK-MGPUTAFESA-N 1 0 363.465 2.295 20 30 FEEDRO CC(C)Oc1ccc(NC(=O)C(=O)NC2CC[NH+](C3CC3)CC2)cc1C#N ZINC000160117718 546009071 /nfs/dbraw/zinc/00/90/71/546009071.db2.gz LQUHLHPNBSHMAO-UHFFFAOYSA-N 1 0 370.453 2.027 20 30 FEEDRO Cc1cc(S(C)(=O)=O)cc(C(=O)N(CCC#N)CCC[NH+](C)C)c1C ZINC000160240585 546021360 /nfs/dbraw/zinc/02/13/60/546021360.db2.gz RUQXIQWOKKFGIZ-UHFFFAOYSA-N 1 0 365.499 2.015 20 30 FEEDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)CNc2cccc(C#N)c2)[C@H](C)C1 ZINC000160902161 546083154 /nfs/dbraw/zinc/08/31/54/546083154.db2.gz JBPPINIYOBCZBL-VQIMIIECSA-N 1 0 358.486 2.223 20 30 FEEDRO COc1ccccc1CNC(=[NH2+])NCc1ccccc1CN1CCOCC1 ZINC000170908275 546181500 /nfs/dbraw/zinc/18/15/00/546181500.db2.gz QISNYPSMAMJDAY-UHFFFAOYSA-N 1 0 368.481 2.132 20 30 FEEDRO COc1ccc(CCNC(=[NH2+])NCc2ccccc2[N+](=O)[O-])cc1OC ZINC000170910793 546181988 /nfs/dbraw/zinc/18/19/88/546181988.db2.gz KVJDHBYEMFZAOU-UHFFFAOYSA-N 1 0 358.398 2.259 20 30 FEEDRO CCCNC(=O)c1cccc(CNC(=[NH2+])NCc2ccccc2OC)c1 ZINC000170913726 546182769 /nfs/dbraw/zinc/18/27/69/546182769.db2.gz XMSUKQVVWTYUQZ-UHFFFAOYSA-N 1 0 354.454 2.440 20 30 FEEDRO Cc1cnn(CCC(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)c1 ZINC000479224737 561185309 /nfs/dbraw/zinc/18/53/09/561185309.db2.gz YKPKLUFRILTRGH-UHFFFAOYSA-N 1 0 351.454 2.256 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCCN(c3nccs3)CC2)CC1 ZINC000171560296 546213769 /nfs/dbraw/zinc/21/37/69/546213769.db2.gz JQWWEUWZWMRJQI-UHFFFAOYSA-N 1 0 363.531 2.405 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N2CCN(Cc3ccccc3OC)CC2)CC1 ZINC000171738665 546223582 /nfs/dbraw/zinc/22/35/82/546223582.db2.gz GNBWGEDOWKCSKU-UHFFFAOYSA-N 1 0 372.513 2.173 20 30 FEEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000172292560 546244650 /nfs/dbraw/zinc/24/46/50/546244650.db2.gz CRQHLQCWYWQUOE-CABCVRRESA-N 1 0 374.510 2.429 20 30 FEEDRO C=CCSc1ccccc1NC(=O)CN1CCC[C@H](OCCO)C1 ZINC000172294658 546244659 /nfs/dbraw/zinc/24/46/59/546244659.db2.gz NXYVKBVHISDDHI-HNNXBMFYSA-N 1 0 350.484 2.377 20 30 FEEDRO C=C(C)COc1cccc(NC(=O)C(=O)N2CC[C@H]([NH+]3CC=CC3)C2)c1 ZINC000173221532 546275756 /nfs/dbraw/zinc/27/57/56/546275756.db2.gz GXEKQFYNAVBHEA-KRWDZBQOSA-N 1 0 355.438 2.053 20 30 FEEDRO C[C@@H](CNC(=O)Nc1ccn(CCC#N)n1)[N@@H+]1CCc2ccccc2C1 ZINC000173342142 546278696 /nfs/dbraw/zinc/27/86/96/546278696.db2.gz OXSPGGPGJNQSJT-HNNXBMFYSA-N 1 0 352.442 2.365 20 30 FEEDRO COc1cccc([C@@H](CNC(=O)Nc2ccn(CCC#N)n2)[NH+](C)C)c1 ZINC000173340737 546278926 /nfs/dbraw/zinc/27/89/26/546278926.db2.gz DHOWRLYXOIVSAG-MRXNPFEDSA-N 1 0 356.430 2.230 20 30 FEEDRO C=CCOc1ccc(C[NH2+]CCN2C(=O)NC3(CCCC3)C2=O)cc1OC ZINC000479611999 561193302 /nfs/dbraw/zinc/19/33/02/561193302.db2.gz HVZMTFOXVAPPNL-UHFFFAOYSA-N 1 0 373.453 2.214 20 30 FEEDRO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CCC[C@H](CC(N)=O)C2)cc1 ZINC000175251536 546307684 /nfs/dbraw/zinc/30/76/84/546307684.db2.gz ZJVOCSYHJWNTNV-DLBZAZTESA-N 1 0 356.470 2.218 20 30 FEEDRO C=CCN(Cc1ccccc1F)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000175769124 546346394 /nfs/dbraw/zinc/34/63/94/546346394.db2.gz QPNNUZUAJFIKRR-KRWDZBQOSA-N 1 0 362.493 2.407 20 30 FEEDRO CN(C(=O)c1ccc(NC(=O)c2cc(C#N)c[nH]2)cc1)[C@H]1CCC[N@H+](C)C1 ZINC000175834119 546358629 /nfs/dbraw/zinc/35/86/29/546358629.db2.gz PLXQXGAMOUEABA-KRWDZBQOSA-N 1 0 365.437 2.305 20 30 FEEDRO C[NH+]=C(NCc1ccoc1)NCC1(c2ccc3c(c2)OCO3)CCOCC1 ZINC000176331056 546432399 /nfs/dbraw/zinc/43/23/99/546432399.db2.gz FCEXWRKNSMXVLS-UHFFFAOYSA-N 1 0 371.437 2.422 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC(OCCCOC)CC2)CC1 ZINC000176500951 546454523 /nfs/dbraw/zinc/45/45/23/546454523.db2.gz CXXDYXMTMOCCBZ-UHFFFAOYSA-N 1 0 353.507 2.254 20 30 FEEDRO N#Cc1ccc(NC(=O)C(=O)NC2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000177006339 546522147 /nfs/dbraw/zinc/52/21/47/546522147.db2.gz GJLTYXMTBVAJOU-UHFFFAOYSA-N 1 0 354.454 2.410 20 30 FEEDRO CS(=O)(=O)Nc1cccc2c1CC[N@H+](C[C@H](O)c1ccc(C#N)cc1)C2 ZINC000177999002 546719906 /nfs/dbraw/zinc/71/99/06/546719906.db2.gz DBUKHQVRZDMXMK-IBGZPJMESA-N 1 0 371.462 2.021 20 30 FEEDRO CN(C)C(=O)CN1CCC([NH2+][C@H]2CCCCc3cc(C#N)ccc32)CC1 ZINC000481923557 561245426 /nfs/dbraw/zinc/24/54/26/561245426.db2.gz PMPSZNCDNDCEGJ-FQEVSTJZSA-N 1 0 354.498 2.468 20 30 FEEDRO CCC[C@@H]1CN(CCC(=O)Nc2cccc(C#N)c2)CC[N@@H+]1CCOC ZINC000179668826 546995088 /nfs/dbraw/zinc/99/50/88/546995088.db2.gz NIQJDGJGOLCDGM-LJQANCHMSA-N 1 0 358.486 2.320 20 30 FEEDRO CC[C@H]1Oc2cc([C@@H](C)[NH2+]CC(=O)N[C@@](C)(C#N)C3CC3)ccc2NC1=O ZINC000180006574 547038475 /nfs/dbraw/zinc/03/84/75/547038475.db2.gz POAMTQIIUARFOX-RRBXVBTKSA-N 1 0 370.453 2.255 20 30 FEEDRO C=CCC[C@H]([NH2+]CC(=O)N(CC)[C@@H]1CCS(=O)(=O)C1)c1ccccc1 ZINC000180047464 547043009 /nfs/dbraw/zinc/04/30/09/547043009.db2.gz WYNIVMIAHHNMDD-MSOLQXFVSA-N 1 0 364.511 2.319 20 30 FEEDRO N#Cc1ccc(OC2CCC(NC(=O)NCC[NH+]3CCCCC3)CC2)nc1 ZINC000180076582 547047493 /nfs/dbraw/zinc/04/74/93/547047493.db2.gz MUARNTKAQSFHFX-UHFFFAOYSA-N 1 0 371.485 2.428 20 30 FEEDRO C=CCNC(=O)CNC(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000180395729 547100190 /nfs/dbraw/zinc/10/01/90/547100190.db2.gz QWDSHLPLPCBISQ-INIZCTEOSA-N 1 0 358.486 2.162 20 30 FEEDRO Cc1cccc(NC(=O)C(=O)N[C@H](C)C[N@H+](C)Cc2ccccc2)c1C#N ZINC000180894265 547204308 /nfs/dbraw/zinc/20/43/08/547204308.db2.gz MCAMVFDIFBHVQQ-MRXNPFEDSA-N 1 0 364.449 2.442 20 30 FEEDRO C[C@@H]([NH2+]CC(=O)N[C@](C)(C#N)C1CC1)c1ccc(N2CCOC2=O)cc1 ZINC000181268789 547283565 /nfs/dbraw/zinc/28/35/65/547283565.db2.gz DPGFXNZKXJXXQI-BFUOFWGJSA-N 1 0 356.426 2.102 20 30 FEEDRO C=C(C)C[N@H+](C)CCC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000181297996 547289722 /nfs/dbraw/zinc/28/97/22/547289722.db2.gz LQVFWFVANQFULS-UHFFFAOYSA-N 1 0 365.499 2.308 20 30 FEEDRO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000181309182 547291111 /nfs/dbraw/zinc/29/11/11/547291111.db2.gz KHJXALXEUOELHK-CABCVRRESA-N 1 0 358.442 2.302 20 30 FEEDRO C[N@@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)C[C@H]1CCCC[C@@H]1O ZINC000181442429 547315464 /nfs/dbraw/zinc/31/54/64/547315464.db2.gz DUWXASXDPMDEKR-QAPCUYQASA-N 1 0 367.453 2.165 20 30 FEEDRO CC[NH+]1CCN([C@@H]2CCN(C(=O)c3ccc(C4(C#N)CC4)cc3)C2)CC1 ZINC000181518585 547328201 /nfs/dbraw/zinc/32/82/01/547328201.db2.gz VNYPAOHZLHBEIO-LJQANCHMSA-N 1 0 352.482 2.094 20 30 FEEDRO CC[NH+]1CCC(CCNC(=O)C(=O)Nc2ccccc2O[C@@H](C)C#N)CC1 ZINC000181875825 547395401 /nfs/dbraw/zinc/39/54/01/547395401.db2.gz FSVVDBXYNFTITL-HNNXBMFYSA-N 1 0 372.469 2.154 20 30 FEEDRO Cc1nc(C#N)c(N2CCN(C(=O)C[NH2+][C@H](C)c3ccc(C)cc3)CC2)o1 ZINC000182351335 547477740 /nfs/dbraw/zinc/47/77/40/547477740.db2.gz KKLBSVDLYVVPSV-OAHLLOKOSA-N 1 0 367.453 2.163 20 30 FEEDRO COc1ccc([C@H](CCO)[NH2+]CC(=O)N(C)C2(C#N)CCCCC2)cc1 ZINC000182392786 547484134 /nfs/dbraw/zinc/48/41/34/547484134.db2.gz DXOQPUWXDNNDCD-SFHVURJKSA-N 1 0 359.470 2.393 20 30 FEEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1cnn(-c2ccc(F)cc2)c1C ZINC000182873834 547565103 /nfs/dbraw/zinc/56/51/03/547565103.db2.gz MMNCATBCJZHCGL-QWHCGFSZSA-N 1 0 373.432 2.371 20 30 FEEDRO C=CC[C@@H](CO)NC(=O)C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000183187607 547618066 /nfs/dbraw/zinc/61/80/66/547618066.db2.gz UHTGUVDEXNVADY-KRWDZBQOSA-N 1 0 373.497 2.443 20 30 FEEDRO CCO[C@H]1COCC[C@H]1[NH2+]CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000484615173 561301169 /nfs/dbraw/zinc/30/11/69/561301169.db2.gz LIGCFRSNKDWADL-SJORKVTESA-N 1 0 365.861 2.370 20 30 FEEDRO C[C@H](C(F)(F)F)S(=O)(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000184210196 547787675 /nfs/dbraw/zinc/78/76/75/547787675.db2.gz MTDVYGWKDRDISS-GFCCVEGCSA-N 1 0 363.405 2.202 20 30 FEEDRO C=CC[C@H](CO)[NH2+]Cc1ccc(OCCN2CCOCC2)c(Cl)c1 ZINC000184278244 547799560 /nfs/dbraw/zinc/79/95/60/547799560.db2.gz CIERHCLQIOWIKY-MRXNPFEDSA-N 1 0 354.878 2.078 20 30 FEEDRO C=CC[C@H](CO)[NH2+][C@H](C)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000186717860 548179646 /nfs/dbraw/zinc/17/96/46/548179646.db2.gz QEQMFPYCXKAJCO-GDBMZVCRSA-N 1 0 364.467 2.346 20 30 FEEDRO C[C@@H]1C[N@@H+](C2CCN(C(=O)C3(c4ccc(C#N)cc4)CC3)CC2)CCO1 ZINC000186790024 548194294 /nfs/dbraw/zinc/19/42/94/548194294.db2.gz IXCRTRCPIHTCOT-MRXNPFEDSA-N 1 0 353.466 2.302 20 30 FEEDRO C#CCOc1ccccc1NC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000188095989 548271850 /nfs/dbraw/zinc/27/18/50/548271850.db2.gz ZESDSLZFYJYDNN-KRWDZBQOSA-N 1 0 357.454 2.275 20 30 FEEDRO C=CCC[C@@H](O)C[N@@H+]1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000191302485 548342635 /nfs/dbraw/zinc/34/26/35/548342635.db2.gz NGSCKVJFVIVPDK-LLVKDONJSA-N 1 0 350.410 2.396 20 30 FEEDRO N#CCCN(CCC#N)C(=O)C[NH2+][C@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000192128855 548358288 /nfs/dbraw/zinc/35/82/88/548358288.db2.gz VNMBTJHNDZVDJF-FUHWJXTLSA-N 1 0 362.380 2.040 20 30 FEEDRO C[C@H]1CCC[C@@H](NC(=O)CN2CCN(CC#Cc3ccccc3)CC2)C1 ZINC000192103092 548358411 /nfs/dbraw/zinc/35/84/11/548358411.db2.gz IJDGRYUSPJZRSI-PZJWPPBQSA-N 1 0 353.510 2.351 20 30 FEEDRO CC1CC[NH+](CCNC(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000193052759 548378985 /nfs/dbraw/zinc/37/89/85/548378985.db2.gz DDDASAUVIYSKCH-UHFFFAOYSA-N 1 0 356.470 2.274 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N2CC[C@@](C(=O)OCC)(C(C)C)C2)CC1 ZINC000193615764 548391708 /nfs/dbraw/zinc/39/17/08/548391708.db2.gz MRUMISCAHKDGCH-IBGZPJMESA-N 1 0 351.491 2.258 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)c2cc(N3C[C@H](C)O[C@@H](C)C3)ccn2)CC1 ZINC000194608449 548504770 /nfs/dbraw/zinc/50/47/70/548504770.db2.gz KFCVCGSJGAQWHO-HOTGVXAUSA-N 1 0 358.486 2.075 20 30 FEEDRO C[C@@H](C(=O)NC[C@H](O)C[N@@H+]1CCc2ccccc2C1)c1cccc(C#N)c1 ZINC000486623507 561352749 /nfs/dbraw/zinc/35/27/49/561352749.db2.gz LXCOOYZCOOGIIE-IERDGZPVSA-N 1 0 363.461 2.197 20 30 FEEDRO C[C@@H]1CN(CC[N@H+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@H](C)O1 ZINC000195309320 548619094 /nfs/dbraw/zinc/61/90/94/548619094.db2.gz UPEQSLVXWCSFKH-CALCHBBNSA-N 1 0 367.497 2.500 20 30 FEEDRO C=CC1CCN(C(=O)C[C@]2(C(=O)N3CCC(C=C)CC3)CC[NH2+]C2)CC1 ZINC000236652880 548771188 /nfs/dbraw/zinc/77/11/88/548771188.db2.gz CYTSCVVBIMASKP-OAQYLSRUSA-N 1 0 359.514 2.205 20 30 FEEDRO C=CCCC[C@@H](C)NC(=O)C(=O)NC1CCN(c2cc(C)nc(C)n2)CC1 ZINC000487770413 561375459 /nfs/dbraw/zinc/37/54/59/561375459.db2.gz MLRPWSOUWCKDQQ-CQSZACIVSA-N 1 0 373.501 2.039 20 30 FEEDRO COCCC[N@H+](C)CCNC(=O)Nc1ccc(C#N)c(Br)c1 ZINC000487998311 561380795 /nfs/dbraw/zinc/38/07/95/561380795.db2.gz YFCMLNZLKRDNKE-UHFFFAOYSA-N 1 0 369.263 2.411 20 30 FEEDRO Cc1ccc2ncc(C#N)c(NC3CC[NH+](CCC(=O)N(C)C)CC3)c2c1 ZINC000488097471 561383404 /nfs/dbraw/zinc/38/34/04/561383404.db2.gz AAHJKBQLGSQFAD-UHFFFAOYSA-N 1 0 365.481 2.191 20 30 FEEDRO C[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc(F)cc2C#N)[C@H]1c1ccccc1 ZINC000245641882 548964297 /nfs/dbraw/zinc/96/42/97/548964297.db2.gz KQTSMHYKOYVWOB-ZWKOTPCHSA-N 1 0 366.396 2.197 20 30 FEEDRO N#Cc1cccc(NC(=O)CC[N@@H+]2CC[C@@H]3[C@@H](CCC(=O)N3C3CC3)C2)c1 ZINC000245901613 549015408 /nfs/dbraw/zinc/01/54/08/549015408.db2.gz UGBUADBPQQKWLU-QFBILLFUSA-N 1 0 366.465 2.362 20 30 FEEDRO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCS[C@@H]3CCCC[C@H]32)CC1 ZINC000245988144 549032336 /nfs/dbraw/zinc/03/23/36/549032336.db2.gz HPVGNGJDZVZFJE-FGTMMUONSA-N 1 0 364.559 2.039 20 30 FEEDRO C=CCn1cccc1C(=O)NCc1ccc(N2CC[NH+](CC)CC2)nc1 ZINC000488472280 561390435 /nfs/dbraw/zinc/39/04/35/561390435.db2.gz BLAVMAFTMXNKRL-UHFFFAOYSA-N 1 0 353.470 2.141 20 30 FEEDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(CC(=O)N(CCC#N)CCC#N)C1 ZINC000246343558 549110325 /nfs/dbraw/zinc/11/03/25/549110325.db2.gz JINXPQICPKMGQB-OALUTQOASA-N 1 0 359.518 2.229 20 30 FEEDRO N#CCc1cccc(C(=O)N[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2CO)c1 ZINC000246850823 549227459 /nfs/dbraw/zinc/22/74/59/549227459.db2.gz UAKHJLJEPZRDOF-RTWAWAEBSA-N 1 0 363.461 2.365 20 30 FEEDRO C[NH+](C)[C@H](CNS(=O)(=O)c1ccc(C#N)c(F)c1)Cc1ccccc1 ZINC000489014489 561401602 /nfs/dbraw/zinc/40/16/02/561401602.db2.gz ALXAPEXLFQOUOL-INIZCTEOSA-N 1 0 361.442 2.149 20 30 FEEDRO N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H](Oc3ncccc3F)C2)cc1 ZINC000489025181 561401839 /nfs/dbraw/zinc/40/18/39/561401839.db2.gz GRHZMIMGCAIHBX-FUHWJXTLSA-N 1 0 371.412 2.375 20 30 FEEDRO C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)Nc3ccc(Cl)c(C#N)c3)CC[C@H]21 ZINC000247171174 549293678 /nfs/dbraw/zinc/29/36/78/549293678.db2.gz SOPPKQYNQGPRJN-BLLLJJGKSA-N 1 0 360.845 2.093 20 30 FEEDRO CC(C)[C@H](C#N)N1CCN(C(=O)C[NH2+][C@H](C)[C@H](C)c2ccccc2)CC1 ZINC000248549311 549456585 /nfs/dbraw/zinc/45/65/85/549456585.db2.gz FVSLFYUEEPWBPI-NSHGMRRFSA-N 1 0 356.514 2.461 20 30 FEEDRO C[C@H](CNC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C)[N@@H+]1CCC[C@@H](C)C1 ZINC000248681360 549482753 /nfs/dbraw/zinc/48/27/53/549482753.db2.gz OYZSPWYFGXYROF-HUUCEWRRSA-N 1 0 373.501 2.290 20 30 FEEDRO N#Cc1ccc(N2CCC[C@H]([N@@H+]3CCS[C@H]4COCC[C@H]43)C2=O)cc1 ZINC000248732433 549492522 /nfs/dbraw/zinc/49/25/22/549492522.db2.gz JUOLYFLFSUAARE-SQNIBIBYSA-N 1 0 357.479 2.260 20 30 FEEDRO C=C(C)CS(=O)(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000248823808 549507958 /nfs/dbraw/zinc/50/79/58/549507958.db2.gz FXYSBLFRXXLCOB-QZTJIDSGSA-N 1 0 357.564 2.161 20 30 FEEDRO Cc1nc(C#N)c(N2CCC(C(=O)NC[C@@H](C)[N@@H+]3CCC[C@@H](C)C3)CC2)o1 ZINC000248895391 549523679 /nfs/dbraw/zinc/52/36/79/549523679.db2.gz JOEASFQFWUNKHS-HUUCEWRRSA-N 1 0 373.501 2.308 20 30 FEEDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NS(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000489636317 561416044 /nfs/dbraw/zinc/41/60/44/561416044.db2.gz RTHJEUXEYPSOMJ-KUHUBIRLSA-N 1 0 373.453 2.496 20 30 FEEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccccc2O[C@H](C)C#N)[C@H](C)C1 ZINC000249145276 549560669 /nfs/dbraw/zinc/56/06/69/549560669.db2.gz GETBNAQNIWWEIX-INMHGKMJSA-N 1 0 372.469 2.105 20 30 FEEDRO CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)[C@H](C)c1ccc(-n2cncn2)cc1 ZINC000249737485 549621885 /nfs/dbraw/zinc/62/18/85/549621885.db2.gz WNPDSMMTTAQWGZ-HZPDHXFCSA-N 1 0 354.458 2.268 20 30 FEEDRO CC(C)C(=O)NC[C@@H]1CCC[N@@H+]([C@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000250705982 549643864 /nfs/dbraw/zinc/64/38/64/549643864.db2.gz XZGRICKVSRHWJZ-SJORKVTESA-N 1 0 362.518 2.202 20 30 FEEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)N[C@H]3CCC[C@H]3CCO)CC2)cc1 ZINC000251842218 549654206 /nfs/dbraw/zinc/65/42/06/549654206.db2.gz OAQMYAZDCAOOBD-PMACEKPBSA-N 1 0 370.497 2.327 20 30 FEEDRO CCCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](CC(=O)N(CC)C[C@H](C)C#N)C1 ZINC000255122222 549703985 /nfs/dbraw/zinc/70/39/85/549703985.db2.gz LNCQPIDYUXWXJN-IXDOHACOSA-N 1 0 350.507 2.011 20 30 FEEDRO C[NH+]=C(NCc1cn2ccccc2n1)N1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000261635078 549737440 /nfs/dbraw/zinc/73/74/40/549737440.db2.gz CUQAPACCTISNHN-CQSZACIVSA-N 1 0 357.458 2.073 20 30 FEEDRO C[NH+]=C(NCc1coc(-c2ccccc2)n1)N1CCC[C@@H](CC(N)=O)C1 ZINC000261781849 549755038 /nfs/dbraw/zinc/75/50/38/549755038.db2.gz PKFBQCQVFUSEBN-AWEZNQCLSA-N 1 0 355.442 2.004 20 30 FEEDRO C[NH+]=C(NCc1nccn1C(F)F)N1CCN(c2cccs2)CC1 ZINC000261813829 549757705 /nfs/dbraw/zinc/75/77/05/549757705.db2.gz SXEWQRYBIHRQBQ-UHFFFAOYSA-N 1 0 354.430 2.237 20 30 FEEDRO C[NH+]=C(NC[C@@H]1CCc2nnc(C)n2C1)N[C@H](C)Cc1ccc(C)s1 ZINC000261836175 549760804 /nfs/dbraw/zinc/76/08/04/549760804.db2.gz WBLKVRMOTYIBJH-DOMZBBRYSA-N 1 0 360.531 2.315 20 30 FEEDRO C[NH+]=C(NCc1nnc2n1CCC2)N[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000261933739 549771373 /nfs/dbraw/zinc/77/13/73/549771373.db2.gz BYESSKJAQKPSPF-CQSZACIVSA-N 1 0 354.458 2.192 20 30 FEEDRO C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C)N[C@@H]1CCN(c2ccccc2OC)C1 ZINC000261954230 549773441 /nfs/dbraw/zinc/77/34/41/549773441.db2.gz IGAWNARLMXIZBN-WTLGNFPFSA-N 1 0 372.513 2.252 20 30 FEEDRO C[C@H](NC(NCC(=O)N(C)C)=[NH+][C@@H]1CCO[C@H](C)C1)c1cccs1 ZINC000262287773 549806927 /nfs/dbraw/zinc/80/69/27/549806927.db2.gz KOAXHCMHHIWEBK-HZSPNIEDSA-N 1 0 352.504 2.000 20 30 FEEDRO CN(Cc1ccc(Cl)cc1)C(NC[C@H]1CCS(=O)(=O)C1)=[NH+]C1CC1 ZINC000262525384 549826214 /nfs/dbraw/zinc/82/62/14/549826214.db2.gz GHAQEOCXEDCRTL-CQSZACIVSA-N 1 0 369.918 2.315 20 30 FEEDRO N#Cc1ccc(NC(=O)C(=O)N2CCC([NH+]3CCCC3)CC2)c(Cl)c1 ZINC000490391455 561432238 /nfs/dbraw/zinc/43/22/38/561432238.db2.gz BHTOFASPMQLUDB-UHFFFAOYSA-N 1 0 360.845 2.237 20 30 FEEDRO C[S@](=O)Cc1ccc(CNC(=[NH2+])N[C@@H]2CCOc3ccccc32)cc1 ZINC000262655384 549835812 /nfs/dbraw/zinc/83/58/12/549835812.db2.gz LLTQNBLZRKGUNJ-NSYGIPOTSA-N 1 0 357.479 2.493 20 30 FEEDRO C[NH+]=C(NCCc1c[nH]c2ccc(Cl)cc12)N[C@H]1CCC(=O)N(C)C1 ZINC000262754768 549846296 /nfs/dbraw/zinc/84/62/96/549846296.db2.gz AWJJRUAZMYVIIB-AWEZNQCLSA-N 1 0 361.877 2.150 20 30 FEEDRO [NH2+]=C(NCC(=O)N1CCOCC1)Nc1cccc(Oc2ccccc2)c1 ZINC000263188321 549884572 /nfs/dbraw/zinc/88/45/72/549884572.db2.gz XOTMJWFXJHNAHE-UHFFFAOYSA-N 1 0 354.410 2.064 20 30 FEEDRO C[NH+]=C(NCc1ccc(N2CCOCC2)nc1)N1CCc2ccccc21 ZINC000263260705 549890222 /nfs/dbraw/zinc/89/02/22/549890222.db2.gz SOCSMGFUXLCAIU-UHFFFAOYSA-N 1 0 351.454 2.056 20 30 FEEDRO C=CCOc1ccc(/C=C/C(=O)NC[C@H](C)N2CC[NH+](C)CC2)cc1OC ZINC000263730608 549927733 /nfs/dbraw/zinc/92/77/33/549927733.db2.gz GZCCGVUYINUXGN-LKUPDRCFSA-N 1 0 373.497 2.025 20 30 FEEDRO COc1cc(OC)c(CNC(=[NH2+])NCc2ccccc2OC)c(OC)c1 ZINC000264079996 549976761 /nfs/dbraw/zinc/97/67/61/549976761.db2.gz HBPWCFGNACUGBT-UHFFFAOYSA-N 1 0 359.426 2.326 20 30 FEEDRO [NH2+]=C(NCCCN1CCOCC1)NCc1nc2cc(Cl)ccc2s1 ZINC000264087960 549977973 /nfs/dbraw/zinc/97/79/73/549977973.db2.gz KBDILAQJBHMPFD-UHFFFAOYSA-N 1 0 367.906 2.076 20 30 FEEDRO CCCCCCNC(=[NH2+])NCc1ccc(OCC(=O)N(C)C)c(OC)c1 ZINC000264127174 549981911 /nfs/dbraw/zinc/98/19/11/549981911.db2.gz WUIFCAXGKQRFDT-UHFFFAOYSA-N 1 0 364.490 2.147 20 30 FEEDRO COCCOc1ccc(CNC(=[NH2+])NCCc2ccc(OC)cc2)cc1 ZINC000264131971 549982713 /nfs/dbraw/zinc/98/27/13/549982713.db2.gz YFRLFJKLKVKFFB-UHFFFAOYSA-N 1 0 357.454 2.367 20 30 FEEDRO COc1ccc(CCNC(=[NH2+])NCc2ccc(OC)c([N+](=O)[O-])c2)cc1 ZINC000264135352 549983955 /nfs/dbraw/zinc/98/39/55/549983955.db2.gz ZKMZVLHIFLENTH-UHFFFAOYSA-N 1 0 358.398 2.259 20 30 FEEDRO COc1ccc(CCNC(=[NH2+])NCc2ccnc(N3CCCC3)c2)cc1 ZINC000264144690 549984410 /nfs/dbraw/zinc/98/44/10/549984410.db2.gz XNHDRTWLGOBQOC-UHFFFAOYSA-N 1 0 353.470 2.337 20 30 FEEDRO CCOC(=O)N1CCC(NC(=[NH2+])NCCc2ccccc2Cl)CC1 ZINC000264153321 549985457 /nfs/dbraw/zinc/98/54/57/549985457.db2.gz ZVOXDORHMLOZEB-UHFFFAOYSA-N 1 0 352.866 2.408 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2cccnc2-n2ccnc2C)CC1 ZINC000264319456 549993982 /nfs/dbraw/zinc/99/39/82/549993982.db2.gz AJIZTWSJOKZSHE-UHFFFAOYSA-N 1 0 368.485 2.415 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)NCc2cccnc2OCC(F)(F)F)CC1 ZINC000264348021 549994523 /nfs/dbraw/zinc/99/45/23/549994523.db2.gz ASRFQIWPJMGIPF-UHFFFAOYSA-N 1 0 372.391 2.472 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)c2cccc(CN3C(=O)CSC3=O)c2)CC1 ZINC000264446233 549996043 /nfs/dbraw/zinc/99/60/43/549996043.db2.gz BOXTXGRAHXZNKG-UHFFFAOYSA-N 1 0 373.478 2.262 20 30 FEEDRO CC[NH+](CC)[C@H](CNS(=O)(=O)CCCC#N)c1cccc(OC)c1 ZINC000264742633 550001033 /nfs/dbraw/zinc/00/10/33/550001033.db2.gz SLLKTPGLRJIPPA-QGZVFWFLSA-N 1 0 353.488 2.301 20 30 FEEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000264807008 550001638 /nfs/dbraw/zinc/00/16/38/550001638.db2.gz ZEQFUQKRMQEQCU-KBPBESRZSA-N 1 0 362.499 2.333 20 30 FEEDRO CCCCOc1ccc(C[NH2+]CCNC(=O)C2N=CC=CC2=O)cc1OC ZINC000264939897 550004298 /nfs/dbraw/zinc/00/42/98/550004298.db2.gz FVDODLJELVYUIX-VXPUYCOJSA-N 1 0 373.453 2.490 20 30 FEEDRO C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000265869195 550014833 /nfs/dbraw/zinc/01/48/33/550014833.db2.gz VGLQKSBUSUZNFB-HZPDHXFCSA-N 1 0 351.491 2.422 20 30 FEEDRO C=CC[NH+]1CCC(Nc2ccc(S(=O)(=O)N3CCCCC3)cn2)CC1 ZINC000266192601 550018583 /nfs/dbraw/zinc/01/85/83/550018583.db2.gz BZASUBFTOXWAET-UHFFFAOYSA-N 1 0 364.515 2.319 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1cn(Cc2ccccn2)nn1)C(C)C ZINC000266268140 550019026 /nfs/dbraw/zinc/01/90/26/550019026.db2.gz AIKUMIKYJANTLK-IBGZPJMESA-N 1 0 368.485 2.150 20 30 FEEDRO C[N@H+](CCCOc1ccc(S(C)(=O)=O)cc1)CCCSCC#N ZINC000266691995 550023126 /nfs/dbraw/zinc/02/31/26/550023126.db2.gz CLASAYOWUJXGQA-UHFFFAOYSA-N 1 0 356.513 2.438 20 30 FEEDRO COc1ccc(CCNC(=[NH2+])NCCc2ccccc2[N+](=O)[O-])cc1OC ZINC000267464618 550032205 /nfs/dbraw/zinc/03/22/05/550032205.db2.gz WBTKVDDWCROEJQ-UHFFFAOYSA-N 1 0 372.425 2.302 20 30 FEEDRO C[NH+](C)C[C@@H]1CCCN1C(=O)CCC(=O)N(CCC#N)c1ccccc1 ZINC000268130198 550036969 /nfs/dbraw/zinc/03/69/69/550036969.db2.gz MFMGZAAKPHDVTA-SFHVURJKSA-N 1 0 356.470 2.266 20 30 FEEDRO CN(C)C(=O)CC[NH+]1CCN(CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000268509099 550079049 /nfs/dbraw/zinc/07/90/49/550079049.db2.gz UHCOHKSSYHEAGC-UHFFFAOYSA-N 1 0 367.415 2.153 20 30 FEEDRO CN([C@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)c1cccc(C#N)c1 ZINC000268563373 550087639 /nfs/dbraw/zinc/08/76/39/550087639.db2.gz OXIBXWAAHTWPHQ-SFHVURJKSA-N 1 0 355.463 2.453 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)NCCOc2ccc(Cl)cn2)CC1 ZINC000268640714 550098033 /nfs/dbraw/zinc/09/80/33/550098033.db2.gz MMMIFEIJENZKLI-UHFFFAOYSA-N 1 0 352.866 2.454 20 30 FEEDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(C#N)cc2Cl)C1 ZINC000269098245 550155020 /nfs/dbraw/zinc/15/50/20/550155020.db2.gz MZMVUMVDCOADLZ-AWEZNQCLSA-N 1 0 362.861 2.340 20 30 FEEDRO COc1ccc([C@@H](C#N)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C3CC3)CC2)cc1 ZINC000492817533 561452902 /nfs/dbraw/zinc/45/29/02/561452902.db2.gz KVHSRHYMFPQSKW-WOJBJXKFSA-N 1 0 368.481 2.031 20 30 FEEDRO C[C@]1(CO)CCC[C@@H]1[NH2+]CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000493709319 561457741 /nfs/dbraw/zinc/45/77/41/561457741.db2.gz QTLHCEBZIFDIRP-FUHWJXTLSA-N 1 0 368.399 2.314 20 30 FEEDRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)c2ccc(CC#N)cc2)CC1 ZINC000270356630 550265039 /nfs/dbraw/zinc/26/50/39/550265039.db2.gz QEDLMDGYXDOKIB-ROUUACIJSA-N 1 0 354.498 2.383 20 30 FEEDRO N#Cc1cccc(OCCCCC(=O)NCCCC[N@H+]2CCC[C@@H]2CO)c1 ZINC000270666592 550294729 /nfs/dbraw/zinc/29/47/29/550294729.db2.gz OGBFYNNPRRMQKH-LJQANCHMSA-N 1 0 373.497 2.460 20 30 FEEDRO CC(C)[NH+]1CCN(C2CCN(C(=O)c3cccc(CC#N)c3)CC2)CC1 ZINC000270826085 550311224 /nfs/dbraw/zinc/31/12/24/550311224.db2.gz BXTLUSSUIBJQLB-UHFFFAOYSA-N 1 0 354.498 2.383 20 30 FEEDRO C[C@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1ccc2c(c1)OCCCO2 ZINC000271415228 550373464 /nfs/dbraw/zinc/37/34/64/550373464.db2.gz ARJLMGPONIZKCV-UNQMGURYSA-N 1 0 357.410 2.025 20 30 FEEDRO N#Cc1cccc(COc2cccc(C[N@H+]3CC[C@H](NC(N)=O)C3)c2)c1 ZINC000271415900 550374017 /nfs/dbraw/zinc/37/40/17/550374017.db2.gz YLNVCABCNHKDKS-SFHVURJKSA-N 1 0 350.422 2.380 20 30 FEEDRO COc1ccc([C@@H](C)[NH2+]CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)cc1 ZINC000271728784 550397856 /nfs/dbraw/zinc/39/78/56/550397856.db2.gz YFLVFUDQZQAJBD-VQIMIIECSA-N 1 0 358.486 2.038 20 30 FEEDRO COc1cc([C@H](C)[NH2+]CC(=O)N[C@](C)(C#N)C(C)C)cc(OC)c1OC ZINC000271770782 550400681 /nfs/dbraw/zinc/40/06/81/550400681.db2.gz NSFDWKBCLUMPPH-ORAYPTAESA-N 1 0 363.458 2.417 20 30 FEEDRO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@H](C)c1cc(OC)c(OC)c(OC)c1 ZINC000271826068 550404211 /nfs/dbraw/zinc/40/42/11/550404211.db2.gz WHVBLPXESIOMER-ZIAGYGMSSA-N 1 0 363.458 2.371 20 30 FEEDRO C[N@@H+]1CC[C@H]2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3C#N)[C@@H]2C1 ZINC000272405830 550444459 /nfs/dbraw/zinc/44/44/59/550444459.db2.gz KPWKEPLLETVURK-SMDDNHRTSA-N 1 0 373.400 2.292 20 30 FEEDRO C[C@H](NS(=O)(=O)c1ccc(C#N)nc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272405824 550444815 /nfs/dbraw/zinc/44/48/15/550444815.db2.gz KPQURQZRTKWBML-RDJZCZTQSA-N 1 0 370.478 2.142 20 30 FEEDRO C=CCNC(=O)C[N@@H+](CCCn1ccnc1)Cc1ccc(OCC)cc1 ZINC000272675888 550464406 /nfs/dbraw/zinc/46/44/06/550464406.db2.gz RDAFTEHIKUPNSA-UHFFFAOYSA-N 1 0 356.470 2.476 20 30 FEEDRO C=CCS(=O)(=O)CCNC(=O)c1ccc(C[N@@H+](CC)C(C)C)cc1 ZINC000272829348 550472461 /nfs/dbraw/zinc/47/24/61/550472461.db2.gz HNPIJCNRCUCKHK-UHFFFAOYSA-N 1 0 352.500 2.248 20 30 FEEDRO COCCOc1ccc(C#N)cc1NC(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000273072515 550483567 /nfs/dbraw/zinc/48/35/67/550483567.db2.gz AFUKHNABMQHALL-DOTOQJQBSA-N 1 0 358.442 2.332 20 30 FEEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCC(=O)N(CCC#N)CCC#N ZINC000274856977 550559798 /nfs/dbraw/zinc/55/97/98/550559798.db2.gz SNZBKDXBQBEGQK-QUCCMNQESA-N 1 0 367.497 2.143 20 30 FEEDRO N#CCOc1cccc(NC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)c1 ZINC000275697135 550573769 /nfs/dbraw/zinc/57/37/69/550573769.db2.gz KAUYSKAKZGEGEH-QGZVFWFLSA-N 1 0 370.453 2.004 20 30 FEEDRO C=CCN(C(=O)C(=O)Nc1ccc(C)c(NC(=O)CC[NH+](C)C)c1)C1CC1 ZINC000275993684 550575791 /nfs/dbraw/zinc/57/57/91/550575791.db2.gz FSRVLDYVVYLJQS-UHFFFAOYSA-N 1 0 372.469 2.001 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(SC)cc2OC)CC1 ZINC000278076311 550746263 /nfs/dbraw/zinc/74/62/63/550746263.db2.gz NJDGTRXVABTNGV-UHFFFAOYSA-N 1 0 363.483 2.122 20 30 FEEDRO C=CCc1cc(C[N@H+]2C[C@@H](c3cnn(C)c3)[C@H](CO)C2)cc(OC)c1O ZINC000278562879 550799391 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371.460 2.490 20 30 FEEDRO COC(=O)C[C@H]1CCC[N@@H+]1Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000279364489 550881902 /nfs/dbraw/zinc/88/19/02/550881902.db2.gz HWYQRWVFRJPHOL-QGZVFWFLSA-N 1 0 353.426 2.386 20 30 FEEDRO Cc1nc(C#N)c(N2CCC(C(=O)N3CCC[C@@H]4C[N@H+](C)CC[C@@H]43)CC2)o1 ZINC000280056637 550956751 /nfs/dbraw/zinc/95/67/51/550956751.db2.gz WOBAZNDWTZYXNB-AEFFLSMTSA-N 1 0 371.485 2.014 20 30 FEEDRO Cc1nc(C#N)c(N2CCC(C(=O)N3CCC[C@H]4C[N@H+](C)CC[C@@H]43)CC2)o1 ZINC000280056641 550956775 /nfs/dbraw/zinc/95/67/75/550956775.db2.gz WOBAZNDWTZYXNB-WMZOPIPTSA-N 1 0 371.485 2.014 20 30 FEEDRO Cc1nc(C#N)c(N2CCC(C(=O)N3CCC[C@H]4C[N@H+](C)CC[C@H]43)CC2)o1 ZINC000280056638 550956812 /nfs/dbraw/zinc/95/68/12/550956812.db2.gz WOBAZNDWTZYXNB-FUHWJXTLSA-N 1 0 371.485 2.014 20 30 FEEDRO CCOC(=O)N1CCC(NC(=[NH2+])N[C@@H]2C[C@H]2c2ccc(OCC)cc2)CC1 ZINC000280634735 551015661 /nfs/dbraw/zinc/01/56/61/551015661.db2.gz UELHVSBFEICDOX-ZWKOTPCHSA-N 1 0 374.485 2.466 20 30 FEEDRO Cc1oc(C#N)cc1C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000280743063 551027443 /nfs/dbraw/zinc/02/74/43/551027443.db2.gz LMDRPPDPSHXEQL-UHFFFAOYSA-N 1 0 354.366 2.182 20 30 FEEDRO Cc1oc(C#N)cc1C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000281232036 551076335 /nfs/dbraw/zinc/07/63/35/551076335.db2.gz HVTBRDJAMACWNR-QGZVFWFLSA-N 1 0 353.422 2.346 20 30 FEEDRO CNC(=O)[C@]1(C)CC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000281260600 551078851 /nfs/dbraw/zinc/07/88/51/551078851.db2.gz VKTBFAGKKRDTCJ-LAUBAEHRSA-N 1 0 370.497 2.397 20 30 FEEDRO C#C[C@@H](NC(=O)C(=O)Nc1ccccc1OCC[NH+](CC)CC)C(C)C ZINC000281587191 551116920 /nfs/dbraw/zinc/11/69/20/551116920.db2.gz RCQDIBLDMBFTJZ-MRXNPFEDSA-N 1 0 359.470 2.120 20 30 FEEDRO CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](CC(=O)NCc2cccc(C#N)c2)C1 ZINC000497371601 561499596 /nfs/dbraw/zinc/49/95/96/561499596.db2.gz QHAQHILSADHYMV-LPHOPBHVSA-N 1 0 370.497 2.191 20 30 FEEDRO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000497383654 561499907 /nfs/dbraw/zinc/49/99/07/561499907.db2.gz DZYOSGQJHYBNFJ-MIALQEHNSA-N 1 0 364.534 2.446 20 30 FEEDRO C=CCn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000282159483 551188512 /nfs/dbraw/zinc/18/85/12/551188512.db2.gz CTJGMNQWRKMDJX-INIZCTEOSA-N 1 0 356.474 2.008 20 30 FEEDRO Cc1ccccc1C[NH+]1CCC(NS(=O)(=O)N(C)[C@@H](C)CC#N)CC1 ZINC000282408996 551224385 /nfs/dbraw/zinc/22/43/85/551224385.db2.gz ATQZTBMLGFZFCJ-INIZCTEOSA-N 1 0 364.515 2.028 20 30 FEEDRO C=CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000282533027 551243147 /nfs/dbraw/zinc/24/31/47/551243147.db2.gz HMAMVXHKGAPJFO-KRWDZBQOSA-N 1 0 372.517 2.012 20 30 FEEDRO COCCCn1nccc1C[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000282666809 551257662 /nfs/dbraw/zinc/25/76/62/551257662.db2.gz NIUVJSSQCPJODY-LJQANCHMSA-N 1 0 367.453 2.076 20 30 FEEDRO C#Cc1cc(F)c(NC(=O)C(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)c(F)c1 ZINC000283069518 551306667 /nfs/dbraw/zinc/30/66/67/551306667.db2.gz XIJOLTXWPURYRQ-OLZOCXBDSA-N 1 0 363.408 2.121 20 30 FEEDRO C[C@@H](CC#N)N(C)S(=O)(=O)N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000283073474 551307489 /nfs/dbraw/zinc/30/74/89/551307489.db2.gz UYIGODBTOMOTSZ-FUHWJXTLSA-N 1 0 364.515 2.062 20 30 FEEDRO N#Cc1cc(NC(=O)NCC[N@@H+]2CCCOCC2)ccc1OC(F)(F)F ZINC000283124191 551315275 /nfs/dbraw/zinc/31/52/75/551315275.db2.gz YPWWHTIAGUFBLQ-UHFFFAOYSA-N 1 0 372.347 2.301 20 30 FEEDRO C[C@H](CC#N)N(C)S(=O)(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000283124816 551315624 /nfs/dbraw/zinc/31/56/24/551315624.db2.gz ZGENXXJWCZAPJB-CABCVRRESA-N 1 0 352.504 2.184 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)NC[C@H]2CC(c3ccc(C)c(C)c3)=NO2)CC1 ZINC000283597937 551394161 /nfs/dbraw/zinc/39/41/61/551394161.db2.gz QDLVCVOBAJGYKR-LJQANCHMSA-N 1 0 353.466 2.258 20 30 FEEDRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C)C1 ZINC000283616922 551397783 /nfs/dbraw/zinc/39/77/83/551397783.db2.gz VVWYNGRDUIGLAU-KRWDZBQOSA-N 1 0 368.485 2.434 20 30 FEEDRO C=C(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[NH+](CC2CC2)CC1 ZINC000283724621 551416768 /nfs/dbraw/zinc/41/67/68/551416768.db2.gz XYBAXMKLQKLOTE-UHFFFAOYSA-N 1 0 369.517 2.248 20 30 FEEDRO CCCC[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000283848661 551437738 /nfs/dbraw/zinc/43/77/38/551437738.db2.gz FORTVIASYUPWJB-HNNXBMFYSA-N 1 0 356.470 2.116 20 30 FEEDRO CCOCCC[NH+]=C(NCc1cc(C)nn1C)NCc1ccc(OC)cc1 ZINC000283909907 551448211 /nfs/dbraw/zinc/44/82/11/551448211.db2.gz IEGLFYSWYXEGJE-UHFFFAOYSA-N 1 0 373.501 2.399 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCC2(c3ccccc3)CCC2)CC1 ZINC000284029405 551471091 /nfs/dbraw/zinc/47/10/91/551471091.db2.gz OESQLBWJDTXFCJ-UHFFFAOYSA-N 1 0 369.509 2.381 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N(C)[C@H](C)c1ccncc1)C(C)C ZINC000284111741 551485721 /nfs/dbraw/zinc/48/57/21/551485721.db2.gz QGTRWTCTVQATBT-MJGOQNOKSA-N 1 0 372.513 2.416 20 30 FEEDRO C[C@H](NC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCCC1)c1ccc(C#N)cc1 ZINC000284143886 551491885 /nfs/dbraw/zinc/49/18/85/551491885.db2.gz WTAUTPAXLNZGCG-LPHOPBHVSA-N 1 0 368.481 2.212 20 30 FEEDRO C[C@H]([NH2+][C@@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1)C(=O)N(C)CCC#N ZINC000284288643 551516048 /nfs/dbraw/zinc/51/60/48/551516048.db2.gz NTUSEFOYVFMSCK-JCURWCKSSA-N 1 0 350.413 2.060 20 30 FEEDRO Cc1onc(CC(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)c1C#N ZINC000498514342 561526547 /nfs/dbraw/zinc/52/65/47/561526547.db2.gz OEVLSOVLTJAYSH-AWEZNQCLSA-N 1 0 358.467 2.487 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@@H]1CCCC1(C)C ZINC000498525642 561526873 /nfs/dbraw/zinc/52/68/73/561526873.db2.gz LDAKOQNLIBZERQ-GOSISDBHSA-N 1 0 370.497 2.143 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N[C@H](C)c1ccccn1)C(C)C ZINC000284786193 551632744 /nfs/dbraw/zinc/63/27/44/551632744.db2.gz KCBZAGSKIISALV-SJLPKXTDSA-N 1 0 358.486 2.074 20 30 FEEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000284852563 551650697 /nfs/dbraw/zinc/65/06/97/551650697.db2.gz NRVBICCRJQKKOT-UHFFFAOYSA-N 1 0 373.497 2.199 20 30 FEEDRO COC(=O)c1ccc(CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)nc1 ZINC000285342827 551740979 /nfs/dbraw/zinc/74/09/79/551740979.db2.gz YNOXDEWZCWOHIM-UHFFFAOYSA-N 1 0 364.449 2.448 20 30 FEEDRO C[N@@H+]1CC[C@H]2CCN(C(=O)C3CCN(c4ccc(C#N)cc4F)CC3)[C@@H]2C1 ZINC000285734628 551802967 /nfs/dbraw/zinc/80/29/67/551802967.db2.gz GRMBDRRHMPWPJR-OXJNMPFZSA-N 1 0 370.472 2.466 20 30 FEEDRO C=CCN(Cc1ccccc1)C(=O)C(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000285771099 551808290 /nfs/dbraw/zinc/80/82/90/551808290.db2.gz GNRWRYCNQKCIRI-IBGZPJMESA-N 1 0 357.498 2.438 20 30 FEEDRO COCC[NH+](CCOC)C1CCN(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000285788679 551810754 /nfs/dbraw/zinc/81/07/54/551810754.db2.gz SZWYVFZDKRHJIM-UHFFFAOYSA-N 1 0 360.458 2.149 20 30 FEEDRO C[NH+](C)CCOc1cc(C(=O)NC2(c3cccc(C#N)c3)CC2)ccn1 ZINC000285870829 551821605 /nfs/dbraw/zinc/82/16/05/551821605.db2.gz BMYDFCXZBYDPTK-UHFFFAOYSA-N 1 0 350.422 2.313 20 30 FEEDRO C=CCC[C@H]([NH2+]CCS(=O)(=O)NC[C@H]1CCCCO1)c1ccco1 ZINC000286155540 551855323 /nfs/dbraw/zinc/85/53/23/551855323.db2.gz PQOXUTDCRMOUMW-CVEARBPZSA-N 1 0 356.488 2.365 20 30 FEEDRO C[C@](C#N)(NC(=O)C[N@@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21)C1CC1 ZINC000286189085 551859083 /nfs/dbraw/zinc/85/90/83/551859083.db2.gz XLCAFJCSVRAORF-XODKDNOYSA-N 1 0 353.466 2.299 20 30 FEEDRO CC(C)(C(=O)N1CC[NH+](C2CCOCC2)CC1)c1cc(F)cc(C#N)c1 ZINC000286297503 551871124 /nfs/dbraw/zinc/87/11/24/551871124.db2.gz WWBGTRWDRHKKOQ-UHFFFAOYSA-N 1 0 359.445 2.298 20 30 FEEDRO COCCNC(=O)[C@H](CC(C)C)[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000286329795 551875181 /nfs/dbraw/zinc/87/51/81/551875181.db2.gz YJOOHFXQERGXEN-FQEVSTJZSA-N 1 0 372.513 2.294 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCc2ccc(Cl)c(C)c2)CC1 ZINC000286336222 551875730 /nfs/dbraw/zinc/87/57/30/551875730.db2.gz AULLLQPWQMEPTF-UHFFFAOYSA-N 1 0 363.889 2.421 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N(CC)Cc2c(F)cccc2F)CC1 ZINC000286451425 551887023 /nfs/dbraw/zinc/88/70/23/551887023.db2.gz HOVIVQCVMCSMFY-UHFFFAOYSA-N 1 0 365.424 2.080 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N2CCCCC[C@@H]2c2ccco2)CC1 ZINC000286461053 551888198 /nfs/dbraw/zinc/88/81/98/551888198.db2.gz IBWWWNDQUKQIIY-QGZVFWFLSA-N 1 0 359.470 2.490 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H]2c2cccc(OC)c2)CC1 ZINC000286505290 551894011 /nfs/dbraw/zinc/89/40/11/551894011.db2.gz KNLWIBSBUUMHME-IBGZPJMESA-N 1 0 371.481 2.125 20 30 FEEDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)NCCCCC#N ZINC000286685650 551914712 /nfs/dbraw/zinc/91/47/12/551914712.db2.gz IZBWEUITDLODCB-IBGZPJMESA-N 1 0 370.497 2.167 20 30 FEEDRO COc1cc(C#N)ccc1OCC[N@@H+]1CC[C@H](C(F)(F)F)[C@H](CO)C1 ZINC000286763691 551923567 /nfs/dbraw/zinc/92/35/67/551923567.db2.gz ZLSMNACPJAEINK-KBPBESRZSA-N 1 0 358.360 2.438 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCC[C@H]2Cc2ccccc2)CC1 ZINC000286836258 551931744 /nfs/dbraw/zinc/93/17/44/551931744.db2.gz XVXBESZHYHWTDG-AZUAARDMSA-N 1 0 369.509 2.281 20 30 FEEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000287175090 551972871 /nfs/dbraw/zinc/97/28/71/551972871.db2.gz NDTTWMSXPUZJGE-OALUTQOASA-N 1 0 368.481 2.062 20 30 FEEDRO C[C@@H](C[NH+](C)C)NC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000287305051 551987418 /nfs/dbraw/zinc/98/74/18/551987418.db2.gz VXFVAQQNFJJUBA-ZDUSSCGKSA-N 1 0 371.441 2.089 20 30 FEEDRO Cn1cnc2c1nccc2C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000287978956 552070510 /nfs/dbraw/zinc/07/05/10/552070510.db2.gz JOVWHQUBIXSQFB-UHFFFAOYSA-N 1 0 362.437 2.044 20 30 FEEDRO C[C@@H](NC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1)C1=CC[N@H+](C)CC1 ZINC000287994827 552072584 /nfs/dbraw/zinc/07/25/84/552072584.db2.gz VJJPXARAEPIUAV-RHSMWYFYSA-N 1 0 356.445 2.290 20 30 FEEDRO CC[NH+]1CCN(c2ccccc2NC(=O)Cc2noc(C)c2C#N)CC1 ZINC000499596817 561554377 /nfs/dbraw/zinc/55/43/77/561554377.db2.gz LDVDQNWBNYFKIY-UHFFFAOYSA-N 1 0 353.426 2.178 20 30 FEEDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC000288187127 552106638 /nfs/dbraw/zinc/10/66/38/552106638.db2.gz BFTPKKAHFRAIAP-IRXDYDNUSA-N 1 0 358.461 2.324 20 30 FEEDRO C=CCN1CC[C@H](N(CCO)Cc2cccc(Br)c2)C1=O ZINC000499717305 561556883 /nfs/dbraw/zinc/55/68/83/561556883.db2.gz FGGHTEQCMZHKKG-HNNXBMFYSA-N 1 0 353.260 2.030 20 30 FEEDRO COCCOCc1ccc(C[NH+]2CCN(c3ccc(C#N)cn3)CC2)cc1 ZINC000288986055 552248304 /nfs/dbraw/zinc/24/83/04/552248304.db2.gz CUWRDOFCQQPBFR-UHFFFAOYSA-N 1 0 366.465 2.438 20 30 FEEDRO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H]1[C@H]1COCC[C@H]1O ZINC000500351192 561570527 /nfs/dbraw/zinc/57/05/27/561570527.db2.gz BHNUOHPRVASAAX-UAFMIMERSA-N 1 0 361.482 2.017 20 30 FEEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NS(=O)(=O)c1cncc(C#N)c1 ZINC000289629926 552352465 /nfs/dbraw/zinc/35/24/65/552352465.db2.gz ZPRUDNQACSOQOD-BEFAXECRSA-N 1 0 370.478 2.142 20 30 FEEDRO C[C@@H]1CCC[C@@](CNC(=O)C(=O)Nc2ccc(C#N)c(F)c2)([NH+](C)C)C1 ZINC000289825471 552384301 /nfs/dbraw/zinc/38/43/01/552384301.db2.gz AIMBOLDIWIGKEM-BFUOFWGJSA-N 1 0 360.433 2.263 20 30 FEEDRO C[C@H]1CCC[C@](CNC(=O)C(=O)Nc2ccc(C#N)c(F)c2)([NH+](C)C)C1 ZINC000289825478 552384455 /nfs/dbraw/zinc/38/44/55/552384455.db2.gz AIMBOLDIWIGKEM-DJJJIMSYSA-N 1 0 360.433 2.263 20 30 FEEDRO CCOCCC[NH+]=C(NCCc1cn[nH]c1)NCc1ccc(OC)cc1 ZINC000290625686 552508832 /nfs/dbraw/zinc/50/88/32/552508832.db2.gz UODINANZRNCQRO-UHFFFAOYSA-N 1 0 359.474 2.123 20 30 FEEDRO C[C@@H](NC(=[NH2+])NCCCn1cc(CO)nn1)c1ccc(Cl)cc1Cl ZINC000290759003 552533111 /nfs/dbraw/zinc/53/31/11/552533111.db2.gz ZCXPKEIKQBQLOS-SNVBAGLBSA-N 1 0 371.272 2.133 20 30 FEEDRO CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@H](C)c1ccc(N2CCCNC2=O)cc1 ZINC000291192901 552598504 /nfs/dbraw/zinc/59/85/04/552598504.db2.gz JAGWMKYJIAHBMM-QRWLVFNGSA-N 1 0 371.485 2.311 20 30 FEEDRO C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292292418 552712922 /nfs/dbraw/zinc/71/29/22/552712922.db2.gz UHCOBFNNVRPKTQ-DOTOQJQBSA-N 1 0 367.453 2.138 20 30 FEEDRO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3ccccc3N3CCOCC3)C2)nc1 ZINC000292702902 552750967 /nfs/dbraw/zinc/75/09/67/552750967.db2.gz COEFDRTVPBZICJ-LJQANCHMSA-N 1 0 364.449 2.443 20 30 FEEDRO C[C@](C#N)(NC(=O)C[NH2+]C1(Cc2ccc(F)cc2)CCOCC1)C1CC1 ZINC000292739412 552754005 /nfs/dbraw/zinc/75/40/05/552754005.db2.gz AIFBTVGUNSMCOW-LJQANCHMSA-N 1 0 359.445 2.315 20 30 FEEDRO C=CCC(F)(F)C(=O)N1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000293297113 552808548 /nfs/dbraw/zinc/80/85/48/552808548.db2.gz YJXHPWBKTXDSMU-UHFFFAOYSA-N 1 0 367.440 2.487 20 30 FEEDRO C=C(C)COc1cccc(NC(=O)C(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)c1 ZINC000293351722 552814175 /nfs/dbraw/zinc/81/41/75/552814175.db2.gz XPJNTWZUKIVABA-FQEVSTJZSA-N 1 0 357.454 2.134 20 30 FEEDRO CC[NH+]1CCC(CCNC(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)CC1 ZINC000293412808 552820975 /nfs/dbraw/zinc/82/09/75/552820975.db2.gz NDJQVQFBUUCFNS-SFHVURJKSA-N 1 0 371.485 2.238 20 30 FEEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000293535923 552833091 /nfs/dbraw/zinc/83/30/91/552833091.db2.gz OCBQNLQORWYKRY-KFWWJZLASA-N 1 0 374.510 2.428 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)Nc1cnc(C)s1)C(C)C ZINC000501669666 561603191 /nfs/dbraw/zinc/60/31/91/561603191.db2.gz ZWICVCOCOPOLDQ-AWEZNQCLSA-N 1 0 350.488 2.205 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)Cc1ccc2c(c1)NC(=O)CO2 ZINC000293774762 552855340 /nfs/dbraw/zinc/85/53/40/552855340.db2.gz BJZAQKIOOZSMAI-UHFFFAOYSA-N 1 0 364.449 2.453 20 30 FEEDRO C[NH+](C)Cc1ccc(C(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1 ZINC000293806931 552858155 /nfs/dbraw/zinc/85/81/55/552858155.db2.gz TZDQUZOTEVBQCR-GOSISDBHSA-N 1 0 350.422 2.308 20 30 FEEDRO N#Cc1cc(F)ccc1CS(=O)(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000294442324 552906611 /nfs/dbraw/zinc/90/66/11/552906611.db2.gz PNDAKDMKHNPOLV-UHFFFAOYSA-N 1 0 365.474 2.477 20 30 FEEDRO CO[C@@H]1COCC[C@@H]1CC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000294480236 552909554 /nfs/dbraw/zinc/90/95/54/552909554.db2.gz QQRXIUOODJWQBM-WOJBJXKFSA-N 1 0 371.481 2.034 20 30 FEEDRO C#CCO[C@@H](C)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C(F)(F)F ZINC000294506994 552911716 /nfs/dbraw/zinc/91/17/16/552911716.db2.gz FVQSLMKWYZGMSZ-ZDUSSCGKSA-N 1 0 369.387 2.434 20 30 FEEDRO C[C@@H](CC[NH+]1CCN(C)CC1)Nc1ncc(Br)cc1C#N ZINC000295052226 552954491 /nfs/dbraw/zinc/95/44/91/552954491.db2.gz OSGXSAISOTZXHR-LBPRGKRZSA-N 1 0 352.280 2.154 20 30 FEEDRO CCO[C@@H]1C[C@@H]([NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)C12CCCC2 ZINC000295158802 552964791 /nfs/dbraw/zinc/96/47/91/552964791.db2.gz GJGUQQNRVNXESX-HZPDHXFCSA-N 1 0 363.483 2.054 20 30 FEEDRO C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1CC[NH+]([C@@H](C)CC)CC1 ZINC000295830152 553064733 /nfs/dbraw/zinc/06/47/33/553064733.db2.gz AWYJGVOZGCLWFQ-INIZCTEOSA-N 1 0 360.506 2.011 20 30 FEEDRO C=CCn1c(C(=O)N2CCCC2)nnc1N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC000295896295 553072853 /nfs/dbraw/zinc/07/28/53/553072853.db2.gz IEQPVHITVMFXIN-INIZCTEOSA-N 1 0 372.517 2.011 20 30 FEEDRO CC1(C)C[C@H](O)CCN(CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1 ZINC000295988644 553085518 /nfs/dbraw/zinc/08/55/18/553085518.db2.gz JTEZQOKOPLGFDI-QGZVFWFLSA-N 1 0 367.453 2.165 20 30 FEEDRO C#CC[N@@H+](C)CCCNC(=O)N[C@H](C)c1nc(-c2ccc(F)c(C)c2)no1 ZINC000296264049 553131505 /nfs/dbraw/zinc/13/15/05/553131505.db2.gz CCTCFOVIAMUMEE-CQSZACIVSA-N 1 0 373.432 2.499 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000296422192 553157100 /nfs/dbraw/zinc/15/71/00/553157100.db2.gz SESSVAIUBVQIQR-UHFFFAOYSA-N 1 0 362.543 2.214 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)N1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000296841940 553219080 /nfs/dbraw/zinc/21/90/80/553219080.db2.gz JHPZQOJJPUMZHS-QGZVFWFLSA-N 1 0 357.502 2.064 20 30 FEEDRO Cc1nsc(NC(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)c1C#N ZINC000297402605 553287843 /nfs/dbraw/zinc/28/78/43/553287843.db2.gz KNXLRLVJOHVCOQ-LSDHHAIUSA-N 1 0 363.487 2.213 20 30 FEEDRO CC(C)(C)c1cc(C#N)c(NC(=O)C(=O)N2CC[C@H]([NH+]3CC=CC3)C2)s1 ZINC000297540551 553306241 /nfs/dbraw/zinc/30/62/41/553306241.db2.gz WQNZSWZWCFOTJM-AWEZNQCLSA-N 1 0 372.494 2.328 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N(Cc2cccc(C(N)=O)c2)C2CC2)CC1 ZINC000297688289 553325185 /nfs/dbraw/zinc/32/51/85/553325185.db2.gz OTQCAWJYMOPJHN-UHFFFAOYSA-N 1 0 356.470 2.110 20 30 FEEDRO C=C(C)CN(CC)C(=O)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000297703886 553327480 /nfs/dbraw/zinc/32/74/80/553327480.db2.gz CCTYCNGSTFPBHP-KDURUIRLSA-N 1 0 355.482 2.001 20 30 FEEDRO C=CCN(CCc1ccco1)C(=O)C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000297847838 553346892 /nfs/dbraw/zinc/34/68/92/553346892.db2.gz RUWGOENFKWCTNJ-SFHVURJKSA-N 1 0 373.497 2.027 20 30 FEEDRO N#Cc1ccc(CS(=O)(=O)NCCC[N@@H+]2CCc3ccccc3C2)cc1 ZINC000298279048 553407333 /nfs/dbraw/zinc/40/73/33/553407333.db2.gz MQEXKIPIKHHWCL-UHFFFAOYSA-N 1 0 369.490 2.426 20 30 FEEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@H+](C)C(C)(C)C(N)=O)sc2C1 ZINC000298459148 553427325 /nfs/dbraw/zinc/42/73/25/553427325.db2.gz RNMHFWWHLGSISY-NSHDSACASA-N 1 0 362.499 2.269 20 30 FEEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+](C)C(C)(C)C(N)=O)sc2C1 ZINC000298459137 553427350 /nfs/dbraw/zinc/42/73/50/553427350.db2.gz RNMHFWWHLGSISY-LLVKDONJSA-N 1 0 362.499 2.269 20 30 FEEDRO C[C@H]1CCC[C@](CNC(=O)C(=O)Nc2cccc(OCC#N)c2)([NH+](C)C)C1 ZINC000298979085 553498480 /nfs/dbraw/zinc/49/84/80/553498480.db2.gz KBPWETUSSPMWDI-YWZLYKJASA-N 1 0 372.469 2.154 20 30 FEEDRO CC[N@H+](CC(=O)N1CCN(C(=O)C2CC2)CC1)[C@H](C)c1ccc(C#N)cc1 ZINC000299007333 553502530 /nfs/dbraw/zinc/50/25/30/553502530.db2.gz CEWCZWVLLYEJCM-MRXNPFEDSA-N 1 0 368.481 2.022 20 30 FEEDRO N#Cc1c2c(sc1NC(=O)CC[NH2+][C@@H]1CCCC[C@@H]1C(N)=O)CCC2 ZINC000299235320 553534448 /nfs/dbraw/zinc/53/44/48/553534448.db2.gz IUSKWUZUCOPOQU-GXTWGEPZSA-N 1 0 360.483 2.071 20 30 FEEDRO COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000299428189 553561688 /nfs/dbraw/zinc/56/16/88/553561688.db2.gz HKFQEYDSFZGZFM-OALUTQOASA-N 1 0 356.470 2.343 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N2CCC(C(=O)Nc3cccc(F)c3)CC2)CC1 ZINC000299670081 553600655 /nfs/dbraw/zinc/60/06/55/553600655.db2.gz MYKOFWQIXXBADF-UHFFFAOYSA-N 1 0 371.456 2.348 20 30 FEEDRO N#Cc1cc(S(N)(=O)=O)ccc1NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000301160368 553627048 /nfs/dbraw/zinc/62/70/48/553627048.db2.gz BVOANBGRDPYACM-QGZVFWFLSA-N 1 0 374.466 2.438 20 30 FEEDRO C[N@H+](CCc1cccc(NC(=O)C(=O)N2CCC(C)(C#N)CC2)c1)C1CC1 ZINC000505244157 561668638 /nfs/dbraw/zinc/66/86/38/561668638.db2.gz GVBAOTGXNCQCOE-UHFFFAOYSA-N 1 0 368.481 2.414 20 30 FEEDRO Cc1cc(NC(=O)N2CCC(N3CC[NH+](C(C)C)CC3)CC2)ncc1C#N ZINC000603117989 553711878 /nfs/dbraw/zinc/71/18/78/553711878.db2.gz FIYHTJFMQQWRGS-UHFFFAOYSA-N 1 0 370.501 2.284 20 30 FEEDRO Cc1cc(NC(=O)N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)ncc1C#N ZINC000603119123 553712550 /nfs/dbraw/zinc/71/25/50/553712550.db2.gz XBDMEIWKJPQWSK-CALCHBBNSA-N 1 0 370.501 2.284 20 30 FEEDRO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(c2c(C#N)cccc2C#N)CC1 ZINC000302861521 553737887 /nfs/dbraw/zinc/73/78/87/553737887.db2.gz VIVZDDJCAQYEOR-UHFFFAOYSA-N 1 0 367.497 2.350 20 30 FEEDRO COc1ccc(CNC(=[NH2+])NC[C@@H]2COC3(CCCCC3)O2)cc1OC ZINC000305769773 553748443 /nfs/dbraw/zinc/74/84/43/553748443.db2.gz JJPUYNZWEUVITA-OAHLLOKOSA-N 1 0 363.458 2.184 20 30 FEEDRO C[C@H](CN(C)Cc1ccccc1)[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000311766250 553755704 /nfs/dbraw/zinc/75/57/04/553755704.db2.gz IYHSKNVEGGMUOH-QGZVFWFLSA-N 1 0 371.506 2.442 20 30 FEEDRO C[C@@H]1C[C@H](NC(=O)N[C@H]2CCCN(C3CCCCC3)C2=O)C[N@@H+]1C1CC1 ZINC000328604734 553795047 /nfs/dbraw/zinc/79/50/47/553795047.db2.gz IVWBSACMMMROFU-VKJFTORMSA-N 1 0 362.518 2.439 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC000328609473 553795674 /nfs/dbraw/zinc/79/56/74/553795674.db2.gz MTZYILOXVBPPTO-NUJGCVRESA-N 1 0 351.491 2.067 20 30 FEEDRO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)N1CCN(C2CC2)C(=O)C1 ZINC000328689092 553807746 /nfs/dbraw/zinc/80/77/46/553807746.db2.gz CWRXOZVVSFYJGW-HNNXBMFYSA-N 1 0 362.499 2.106 20 30 FEEDRO C[C@H](C(=O)NC(=O)Nc1ccc2c(c1)OCCO2)[N@@H+]1CCOC[C@@H](C)C1 ZINC000328703030 553809700 /nfs/dbraw/zinc/80/97/00/553809700.db2.gz XPQQMXJBNCZPPW-QWHCGFSZSA-N 1 0 363.414 2.317 20 30 FEEDRO CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)NC[C@@H](C)N1CC[NH+](C)CC1 ZINC000328782059 553821184 /nfs/dbraw/zinc/82/11/84/553821184.db2.gz NAMJSTAEOQMWIC-UZLBHIALSA-N 1 0 372.513 2.115 20 30 FEEDRO CN(C)c1nccc(N2C[C@@H](F)C[C@H]2CN(C)C(=O)NC2CCCC2)n1 ZINC000328819301 553827155 /nfs/dbraw/zinc/82/71/55/553827155.db2.gz DUHBDDPBDMBEPG-ZFWWWQNUSA-N 1 0 364.469 2.248 20 30 FEEDRO O=C(CN1CCC[C@@H]1[C@@H]1COCC[C@@H]1O)Nc1nc2c(s1)CCC2 ZINC000328835700 553830228 /nfs/dbraw/zinc/83/02/28/553830228.db2.gz SJJHTLLDIKOBCE-YUTCNCBUSA-N 1 0 351.472 2.082 20 30 FEEDRO C[C@@H]1CN(CC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)C[C@@H]1[NH+](C)C ZINC000328906034 553842807 /nfs/dbraw/zinc/84/28/07/553842807.db2.gz KKYIEEZFBFCFEP-APWZRJJASA-N 1 0 372.513 2.395 20 30 FEEDRO C[C@@H]1C[NH+](Cc2ccc(CNC(=O)[C@@H]3COCCN3C)cc2)C[C@@H](C)O1 ZINC000328930248 553847359 /nfs/dbraw/zinc/84/73/59/553847359.db2.gz HJJACPLDGLZFKZ-MDZRGWNJSA-N 1 0 361.486 2.083 20 30 FEEDRO CC[NH+]1CCN([C@H](C)CNC(=O)[C@@H]2CN(c3ccccn3)C[C@H]2C)CC1 ZINC000328959233 553853512 /nfs/dbraw/zinc/85/35/12/553853512.db2.gz JYSFNHXMDXUUOS-KZNAEPCWSA-N 1 0 359.518 2.136 20 30 FEEDRO CC(=O)N1CCN(C(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)CC12CCCCC2 ZINC000328963280 553854204 /nfs/dbraw/zinc/85/42/04/553854204.db2.gz LKJVPOBVEGEIOQ-DOTOQJQBSA-N 1 0 350.507 2.250 20 30 FEEDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N2CCC[C@@H]2[C@@H]2COCC[C@@]2(C)O)C1 ZINC000328972910 553856363 /nfs/dbraw/zinc/85/63/63/553856363.db2.gz BYBZHYAWWAFPMK-HTBDUDNFSA-N 1 0 353.507 2.025 20 30 FEEDRO CC(C)N1C(=O)N[C@@H]2CN(C(=O)NCC[C@H](C)[NH+]3CCCCC3)CC[C@@H]21 ZINC000329000609 553862019 /nfs/dbraw/zinc/86/20/19/553862019.db2.gz HMGZMZVRFQVGFV-BBWFWOEESA-N 1 0 365.522 2.246 20 30 FEEDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2CCC[C@@H]2[C@@H]2COCC[C@@]2(C)O)C1 ZINC000329045365 553870880 /nfs/dbraw/zinc/87/08/80/553870880.db2.gz JIMQMQNERFBYOX-AJYBTWMASA-N 1 0 367.534 2.130 20 30 FEEDRO Cc1ccc(N2CCC[C@@H](NC(=O)N3CCCC34CC[NH+](C)CC4)C2)nn1 ZINC000329078054 553876571 /nfs/dbraw/zinc/87/65/71/553876571.db2.gz QKIDVHTVOBWACE-QGZVFWFLSA-N 1 0 372.517 2.228 20 30 FEEDRO O=C(NC1CC[NH+](C2CCCC2)CC1)N[C@@H]1CCO[C@@]2(CCOC2)C1 ZINC000329109979 553881952 /nfs/dbraw/zinc/88/19/52/553881952.db2.gz JEGMHJNXQOFBSC-APWZRJJASA-N 1 0 351.491 2.235 20 30 FEEDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CCC[C@@H]1[C@@H]1COCC[C@@]1(C)O ZINC000329143915 553888539 /nfs/dbraw/zinc/88/85/39/553888539.db2.gz VWKLXFWMSXKCOX-ZMIKWESLSA-N 1 0 367.534 2.273 20 30 FEEDRO CC1CC[NH+](CCNC(=O)N[C@H]2CC(=O)N(C3CCCCC3)C2)CC1 ZINC000329155192 553890922 /nfs/dbraw/zinc/89/09/22/553890922.db2.gz VBRQVUVVVYHTNE-INIZCTEOSA-N 1 0 350.507 2.156 20 30 FEEDRO CN1CC[C@H]([NH+]2CCC(NC(=O)c3cccnc3C(F)(F)F)CC2)C1=O ZINC000329157959 553891665 /nfs/dbraw/zinc/89/16/65/553891665.db2.gz DIGYHODMXAMKFT-ZDUSSCGKSA-N 1 0 370.375 2.100 20 30 FEEDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)N[C@@H]3CC(=O)N(C4CCCCC4)C3)CC[C@@H]21 ZINC000329161109 553892436 /nfs/dbraw/zinc/89/24/36/553892436.db2.gz YSNDCXRDQHZTQN-NUJGCVRESA-N 1 0 362.518 2.250 20 30 FEEDRO CC[N@@H+]1CCC[C@H](NC(=O)N[C@H]2CC(=O)N(c3ccccc3Cl)C2)C1 ZINC000329181171 553896781 /nfs/dbraw/zinc/89/67/81/553896781.db2.gz DQIASKOOQWBLHW-KBPBESRZSA-N 1 0 364.877 2.433 20 30 FEEDRO CN1CC[C@H]([NH+]2CCC(NC(=O)C[C@@H]3OCCc4ccccc43)CC2)C1=O ZINC000329197202 553900329 /nfs/dbraw/zinc/90/03/29/553900329.db2.gz VCHYXCYYNRAAKG-OALUTQOASA-N 1 0 371.481 2.342 20 30 FEEDRO C[C@@H](C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C)N1CCSCC1 ZINC000329209592 553902640 /nfs/dbraw/zinc/90/26/40/553902640.db2.gz YLRRMPRQZMKNAS-YQQAZPJKSA-N 1 0 365.547 2.197 20 30 FEEDRO O=C(NC1CN(C(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)C1)C1CCC1 ZINC000329213708 553903893 /nfs/dbraw/zinc/90/38/93/553903893.db2.gz JWJWBXNDVGNVMS-MRXNPFEDSA-N 1 0 351.516 2.171 20 30 FEEDRO Cn1nccc1[C@@H]1OCC[C@H]1CNC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000329220944 553905255 /nfs/dbraw/zinc/90/52/55/553905255.db2.gz UGMYQCBGIXZZQS-XJKSGUPXSA-N 1 0 363.506 2.311 20 30 FEEDRO CC(=O)NC[C@@H]1CCn2ncc(C(=O)N3C[C@H]([NH+]4CCCC4)C[C@H]3C)c2C1 ZINC000329224060 553906003 /nfs/dbraw/zinc/90/60/03/553906003.db2.gz YZXJNPJBYRJZBP-DJIMGWMZSA-N 1 0 373.501 2.121 20 30 FEEDRO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)Nc1ccccc1CN1C(=O)CCC1=O ZINC000329250084 553911331 /nfs/dbraw/zinc/91/13/31/553911331.db2.gz AXNUWQRSDQBHDE-QGZVFWFLSA-N 1 0 372.469 2.153 20 30 FEEDRO CN(C)C(=O)C1(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000329268887 553913976 /nfs/dbraw/zinc/91/39/76/553913976.db2.gz DXMULZJLVBHZNZ-QGZVFWFLSA-N 1 0 359.470 2.102 20 30 FEEDRO O=C(NCc1cccc(CN2CCCC2=O)c1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000329327155 553925860 /nfs/dbraw/zinc/92/58/60/553925860.db2.gz XBDNNAOUMVKIBE-QGZVFWFLSA-N 1 0 356.470 2.049 20 30 FEEDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCC[C@@H]1[C@@H]1COCC[C@@H]1O ZINC000329351333 553929738 /nfs/dbraw/zinc/92/97/38/553929738.db2.gz XDEVMPOQULRDKU-HCXYKTFWSA-N 1 0 367.534 2.273 20 30 FEEDRO C[NH+]1CCC(C)(CNC(=O)N[C@H]2CC(=O)N(C3CCCCC3)C2)CC1 ZINC000329360472 553932738 /nfs/dbraw/zinc/93/27/38/553932738.db2.gz XZDHGSLELUKHFS-HNNXBMFYSA-N 1 0 350.507 2.156 20 30 FEEDRO CCCC(=O)N1CCC[C@@H]1C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000329371283 553933605 /nfs/dbraw/zinc/93/36/05/553933605.db2.gz AWVBRTGRXOEELJ-DOTOQJQBSA-N 1 0 351.491 2.235 20 30 FEEDRO CN(Cc1nccn1C)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000329385677 553935881 /nfs/dbraw/zinc/93/58/81/553935881.db2.gz PJRJVZRMLNFPEG-UHFFFAOYSA-N 1 0 351.520 2.128 20 30 FEEDRO CN1CCO[C@@H]2CN(C(=O)N[C@@H]3CCO[C@@H]3c3ccc(Cl)cc3)C[C@H]21 ZINC000329401308 553939358 /nfs/dbraw/zinc/93/93/58/553939358.db2.gz WDIIUGSCWGMZNU-QBPKDAKJSA-N 1 0 365.861 2.099 20 30 FEEDRO CO[C@@H]1CN(C(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2ccnn2C)CC[C@@H]1C ZINC000329432857 553945950 /nfs/dbraw/zinc/94/59/50/553945950.db2.gz IHXBKHXVFFIIHW-CWLKWCNXSA-N 1 0 363.506 2.074 20 30 FEEDRO O=C(NCC1([NH+]2CCOCC2)CCCCC1)N[C@@H]1CCCCC[C@H]1O ZINC000329444516 553948620 /nfs/dbraw/zinc/94/86/20/553948620.db2.gz LPEYSOCKBQVOKY-IAGOWNOFSA-N 1 0 353.507 2.219 20 30 FEEDRO CC(C)C[C@@H]1C[C@H](NC(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CCO1 ZINC000329445155 553948740 /nfs/dbraw/zinc/94/87/40/553948740.db2.gz KULGKQWQVDALBJ-MKXGPGLRSA-N 1 0 367.534 2.462 20 30 FEEDRO C[C@@H]1N(C(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2ccnn2C)CCOC1(C)C ZINC000329452131 553949868 /nfs/dbraw/zinc/94/98/68/553949868.db2.gz LTFCCGMRBJIYRJ-YQQAZPJKSA-N 1 0 363.506 2.216 20 30 FEEDRO CCCC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2COCCN2C2CCCC2)C1 ZINC000329457841 553950852 /nfs/dbraw/zinc/95/08/52/553950852.db2.gz QVNIMZIMLFEJRT-WBVHZDCISA-N 1 0 351.491 2.377 20 30 FEEDRO CC(C)(CNC(=O)N1C[C@@H]2CC[C@H](O)[C@H]2C1)[N@@H+]1CCc2ccccc2C1 ZINC000329493856 553957316 /nfs/dbraw/zinc/95/73/16/553957316.db2.gz CYGZUVXYFXHBAU-FHWLQOOXSA-N 1 0 357.498 2.440 20 30 FEEDRO CCn1cc([C@H]2OCC[C@@H]2NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cn1 ZINC000329527275 553962164 /nfs/dbraw/zinc/96/21/64/553962164.db2.gz UEVJGYMOEFACPZ-VQTPCSAVSA-N 1 0 361.490 2.204 20 30 FEEDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)NCCc3nccn3Cc3ccccc3)[C@@H]2C1 ZINC000329588624 553972556 /nfs/dbraw/zinc/97/25/56/553972556.db2.gz YZKKXRYVRYCCAN-RTBURBONSA-N 1 0 367.497 2.414 20 30 FEEDRO COCCC1(C)CN(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)C1 ZINC000329651827 553982938 /nfs/dbraw/zinc/98/29/38/553982938.db2.gz KMIBJZFMAOQUPV-SJORKVTESA-N 1 0 353.507 2.027 20 30 FEEDRO COCC1(O)CCN(C(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)CC1 ZINC000329710475 553993043 /nfs/dbraw/zinc/99/30/43/553993043.db2.gz NSNIAWPFBGCRQE-HZPDHXFCSA-N 1 0 353.507 2.027 20 30 FEEDRO Cc1ccc2nc(CNC(=O)Nc3ccn(C4CC[NH+](C)CC4)n3)cn2c1 ZINC000329736362 553997256 /nfs/dbraw/zinc/99/72/56/553997256.db2.gz SNLGQTHQFZSZSS-UHFFFAOYSA-N 1 0 367.457 2.632 20 30 FEEDRO O=C(N[C@@H]1CCN(c2ncccc2Cl)C1)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000329770666 554002948 /nfs/dbraw/zinc/00/29/48/554002948.db2.gz IZEGFCNXISVBBV-FVQBIDKESA-N 1 0 363.893 2.444 20 30 FEEDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N[C@@H]1CCc2nc(C(C)(C)C)cn2C1 ZINC000329786187 554005383 /nfs/dbraw/zinc/00/53/83/554005383.db2.gz XPZUIPVZELQCBI-FMKPAKJESA-N 1 0 359.518 2.482 20 30 FEEDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2CCC[C@H](C(=O)N3CCCC3)C2)C1 ZINC000329792314 554006792 /nfs/dbraw/zinc/00/67/92/554006792.db2.gz FKCPTRGCAVAWAA-MSOLQXFVSA-N 1 0 364.534 2.213 20 30 FEEDRO C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@@H]2CCOC3(CCCCC3)C2)C[C@@H]1C ZINC000329796238 554007341 /nfs/dbraw/zinc/00/73/41/554007341.db2.gz WUGVBUMQACOUDM-YESZJQIVSA-N 1 0 353.507 2.169 20 30 FEEDRO C[C@H](CCNC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)c1ccccc1 ZINC000329806635 554009644 /nfs/dbraw/zinc/00/96/44/554009644.db2.gz OCLAAJQGFDCOHX-MJGOQNOKSA-N 1 0 372.513 2.333 20 30 FEEDRO C[C@@H]1C[C@H](NC(=O)N2CCN(c3ncnc4sccc43)CC2)CC[N@@H+]1C ZINC000329815293 554011103 /nfs/dbraw/zinc/01/11/03/554011103.db2.gz VDNOGGFNSLLOET-ZIAGYGMSSA-N 1 0 374.514 2.210 20 30 FEEDRO O=C(NCCc1cn2c(n1)SCC2)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000329844916 554017845 /nfs/dbraw/zinc/01/78/45/554017845.db2.gz LOMCPXCEEDLLIA-MRXNPFEDSA-N 1 0 363.531 2.396 20 30 FEEDRO O=C(NCCc1cn2c(n1)SCC2)N1CCC([NH+]2CCCCC2)CC1 ZINC000329864306 554021487 /nfs/dbraw/zinc/02/14/87/554021487.db2.gz SMBJYTAKVQTGRU-UHFFFAOYSA-N 1 0 363.531 2.396 20 30 FEEDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1cc(C)n(-c2cccc(C#N)c2)n1 ZINC000507313308 561724599 /nfs/dbraw/zinc/72/45/99/561724599.db2.gz MFRBEBOUHZMCFQ-SFHVURJKSA-N 1 0 369.469 2.139 20 30 FEEDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)C1 ZINC000507320491 561724841 /nfs/dbraw/zinc/72/48/41/561724841.db2.gz AGFQJYXKRLWUDL-HNAYVOBHSA-N 1 0 351.491 2.342 20 30 FEEDRO [O-]C(=[NH+][C@@H]1CCc2c[nH]nc2C1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000329921382 554032141 /nfs/dbraw/zinc/03/21/41/554032141.db2.gz SPWNXIDQXHVQHH-CEXWTWQISA-N 1 0 365.481 2.245 20 30 FEEDRO [O-]C(=[NH+][C@H]1CCc2c[nH]nc2C1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000329921384 554032384 /nfs/dbraw/zinc/03/23/84/554032384.db2.gz SPWNXIDQXHVQHH-OTWHNJEPSA-N 1 0 365.481 2.245 20 30 FEEDRO Cc1nccc(CN2CCN(c3oc(-c4ccco4)nc3C#N)CC2)n1 ZINC000507330616 561725270 /nfs/dbraw/zinc/72/52/70/561725270.db2.gz RCWYYOXRCUWKSH-UHFFFAOYSA-N 1 0 350.382 2.227 20 30 FEEDRO C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CCn2ncnc2C1 ZINC000329950785 554037231 /nfs/dbraw/zinc/03/72/31/554037231.db2.gz HZRSORQVDNIYEI-INIZCTEOSA-N 1 0 368.485 2.103 20 30 FEEDRO CC[C@H](NC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1)C1CCOCC1 ZINC000329951636 554037741 /nfs/dbraw/zinc/03/77/41/554037741.db2.gz MOPAHXOGZREYAA-IBGZPJMESA-N 1 0 366.550 2.254 20 30 FEEDRO Cc1cccc2c1OCC[C@H]2NC(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1 ZINC000329965329 554040525 /nfs/dbraw/zinc/04/05/25/554040525.db2.gz RADIFNGPBDPBCN-FUHWJXTLSA-N 1 0 360.502 2.348 20 30 FEEDRO COCC[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CCCO[C@@H]2c2ccc(C)cc2)C1 ZINC000329968484 554040892 /nfs/dbraw/zinc/04/08/92/554040892.db2.gz WCVSSQVUGWKNIM-IPMKNSEASA-N 1 0 361.486 2.439 20 30 FEEDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2C[C@@]3(CCOC3)OC(C)(C)C2)C1 ZINC000329986785 554044490 /nfs/dbraw/zinc/04/44/90/554044490.db2.gz FPTRFSQGFAGQLB-VQIMIIECSA-N 1 0 353.507 2.148 20 30 FEEDRO Cn1cc(CN2C[C@@H](F)C[C@H]2CNC(=O)CC2(O)CCCCC2)cn1 ZINC000329990662 554045256 /nfs/dbraw/zinc/04/52/56/554045256.db2.gz WHYZZRJYACZODW-HOTGVXAUSA-N 1 0 352.454 2.374 20 30 FEEDRO CCN1CCN(C(=O)NCC2(C[NH+](C)C)CCCC2)C[C@@H]1c1ncc[nH]1 ZINC000329999321 554046905 /nfs/dbraw/zinc/04/69/05/554046905.db2.gz UNJPKRSBYQLRSH-MRXNPFEDSA-N 1 0 362.522 2.124 20 30 FEEDRO CN(C)c1ncn(-c2cccc(NC(=O)N(C)C[C@H]3CCC[N@H+](C)C3)c2)n1 ZINC000330004037 554047964 /nfs/dbraw/zinc/04/79/64/554047964.db2.gz CFTUFZSZBQDVLS-HNNXBMFYSA-N 1 0 371.489 2.152 20 30 FEEDRO CCn1cc([C@@H]2NC(=O)CC[C@H]2NC(=O)N2CCC[N@H+](CC)CC2)cn1 ZINC000330126279 554069502 /nfs/dbraw/zinc/06/95/02/554069502.db2.gz BZVLXEVQKPOIBB-WBVHZDCISA-N 1 0 362.478 2.005 20 30 FEEDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cnn2c1C[C@@H](CNC(C)=O)CC2 ZINC000330136122 554071771 /nfs/dbraw/zinc/07/17/71/554071771.db2.gz NBUJHLMZYMJPSS-BBWFWOEESA-N 1 0 373.501 2.121 20 30 FEEDRO C[C@H](C(=O)N(C)CC(=O)NC1CC[NH+](C2CCCC2)CC1)n1cccn1 ZINC000330159025 554075446 /nfs/dbraw/zinc/07/54/46/554075446.db2.gz QNUXVEVXHLHHAH-OAHLLOKOSA-N 1 0 361.490 2.266 20 30 FEEDRO CC(C)[C@H](C(=O)N[C@H]1CCCN(c2ccnn2C)C1=O)[NH+]1CCCCC1 ZINC000330160057 554076352 /nfs/dbraw/zinc/07/63/52/554076352.db2.gz QWCBNXBBWYJNKC-DOTOQJQBSA-N 1 0 361.490 2.383 20 30 FEEDRO CO[C@@H]1CN(C(=O)NC[C@H](c2ccc(C)cc2)[NH+]2CCCC2)C[C@@H]1OC ZINC000330184355 554080260 /nfs/dbraw/zinc/08/02/60/554080260.db2.gz QOWHAPVRAAGOFB-QRVBRYPASA-N 1 0 361.486 2.392 20 30 FEEDRO O=C(N[C@@H]1CCOC2(CCOCC2)C1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000330225256 554088601 /nfs/dbraw/zinc/08/86/01/554088601.db2.gz OCIADSDBAUKRNE-SJORKVTESA-N 1 0 351.491 2.189 20 30 FEEDRO C[C@H](C(=O)NC(=O)NC1CC1)[NH+]1CCC(OC[C@H]2CCCCO2)CC1 ZINC000330238117 554090836 /nfs/dbraw/zinc/09/08/36/554090836.db2.gz VAJSGQZIWMMRAY-CZUORRHYSA-N 1 0 353.463 2.458 20 30 FEEDRO C[NH+](C)[C@@H]1CCCN(C(=O)Nc2ccccc2CN2C(=O)CCC2=O)CC1 ZINC000330248288 554093038 /nfs/dbraw/zinc/09/30/38/554093038.db2.gz MDRFOKXINNUMGH-MRXNPFEDSA-N 1 0 372.469 2.297 20 30 FEEDRO C[C@H](CNC(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1ccccc1)C[NH+]1CCCC1 ZINC000330292177 554100723 /nfs/dbraw/zinc/10/07/23/554100723.db2.gz HAURGWIOOFLZBQ-AYOQOUSVSA-N 1 0 359.470 2.273 20 30 FEEDRO Cc1nnc([C@H]2CN(C(=O)NCC3([NH+](C)C)CCCCCC3)CCO2)[nH]1 ZINC000330306513 554102579 /nfs/dbraw/zinc/10/25/79/554102579.db2.gz RNNCFOSKGCLHAV-OAHLLOKOSA-N 1 0 364.494 2.055 20 30 FEEDRO CCN1C(=O)CC[C@@H](C(=O)NC[C@H]2CCC[N@@H+]2CC)[C@@H]1c1cnn(C)c1 ZINC000330310939 554103699 /nfs/dbraw/zinc/10/36/99/554103699.db2.gz VJVIUSIIRXKIRE-NUJGCVRESA-N 1 0 361.490 2.161 20 30 FEEDRO CC[NH+]1CCC(NC(=O)CN2CCC(Oc3ccc(C#N)cc3)CC2)CC1 ZINC000507861286 561743731 /nfs/dbraw/zinc/74/37/31/561743731.db2.gz PENDYWZCYRSPBF-UHFFFAOYSA-N 1 0 370.497 2.002 20 30 FEEDRO CC(C)[NH+]1CCC(NC(=O)c2ccc(S(N)(=O)=O)cc2Cl)CC1 ZINC000330627602 554147477 /nfs/dbraw/zinc/14/74/77/554147477.db2.gz KLYOLVMGDOYKFL-UHFFFAOYSA-N 1 0 359.879 2.165 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H](C)C(=O)N2CCCC[C@H]2C)CC1 ZINC000330663113 554153130 /nfs/dbraw/zinc/15/31/30/554153130.db2.gz UUWOTYVHAXGNOI-HZPDHXFCSA-N 1 0 350.507 2.320 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CSCN2C(=O)[C@@H](C)CC)CC1 ZINC000330663625 554153634 /nfs/dbraw/zinc/15/36/34/554153634.db2.gz VFZPDQMCZWYOEB-HOCLYGCPSA-N 1 0 353.532 2.091 20 30 FEEDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2csc(S(N)(=O)=O)c2)C1 ZINC000330740881 554165541 /nfs/dbraw/zinc/16/55/41/554165541.db2.gz RHCNUKNSKYGOLS-TXEJJXNPSA-N 1 0 359.517 2.068 20 30 FEEDRO COC(=O)CCc1csc(NC(=O)N2CC[N@H+](C)C[C@@H]2C(C)C)n1 ZINC000330746074 554166386 /nfs/dbraw/zinc/16/63/86/554166386.db2.gz FOWAKKGBNWDDEZ-CYBMUJFWSA-N 1 0 354.476 2.066 20 30 FEEDRO Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)N1CC[N@@H+](C[C@H](C)O)[C@H](C)C1 ZINC000330977795 554196010 /nfs/dbraw/zinc/19/60/10/554196010.db2.gz IBAOAQLDGQYVNK-ILXRZTDVSA-N 1 0 365.522 2.308 20 30 FEEDRO Cc1oc(C(=O)NCC[N@@H+]2CCCC(C)(C)C2)cc1S(=O)(=O)N(C)C ZINC000330997568 554199208 /nfs/dbraw/zinc/19/92/08/554199208.db2.gz VCHKAMXDLWCUDN-UHFFFAOYSA-N 1 0 371.503 2.265 20 30 FEEDRO CN(C)S(=O)(=O)c1cccc(C(=O)NCC[N@@H+]2CCCC(C)(C)C2)c1 ZINC000331006712 554199993 /nfs/dbraw/zinc/19/99/93/554199993.db2.gz XTRUVOBQGHMKPX-UHFFFAOYSA-N 1 0 367.515 2.364 20 30 FEEDRO CCS(=O)(=O)c1ccc(CNC(=O)N2CC[N@H+](C)C[C@H]2C(C)C)s1 ZINC000331012848 554200781 /nfs/dbraw/zinc/20/07/81/554200781.db2.gz SUDPXDCMKYYIPK-AWEZNQCLSA-N 1 0 373.544 2.228 20 30 FEEDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CCC[C@H](C(=O)NC(C)C)C2)C1 ZINC000331118790 554215975 /nfs/dbraw/zinc/21/59/75/554215975.db2.gz LNCNCVGLENIDCX-YESZJQIVSA-N 1 0 352.523 2.257 20 30 FEEDRO C=CCn1c([C@H](C)OCCOC)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000508705201 561770380 /nfs/dbraw/zinc/77/03/80/561770380.db2.gz HRHQHKKHXONZNS-DLBZAZTESA-N 1 0 363.506 2.253 20 30 FEEDRO C[C@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000331241564 554235217 /nfs/dbraw/zinc/23/52/17/554235217.db2.gz JZZADGHQMOQDPA-VYDXJSESSA-N 1 0 373.563 2.451 20 30 FEEDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCC[C@H](CNC(N)=O)C1 ZINC000331272612 554239720 /nfs/dbraw/zinc/23/97/20/554239720.db2.gz VNVOGHSQWCBVDD-HZPDHXFCSA-N 1 0 353.511 2.205 20 30 FEEDRO C=CCn1c([C@@H](C)OCCOC)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC000508862677 561775859 /nfs/dbraw/zinc/77/58/59/561775859.db2.gz FSKICDFZUPRPRG-MRXNPFEDSA-N 1 0 363.506 2.253 20 30 FEEDRO C[C@H](CC#N)N(C)S(=O)(=O)NCC[NH+]1CCC2(CCCCC2)CC1 ZINC000509270939 561793208 /nfs/dbraw/zinc/79/32/08/561793208.db2.gz QSWJLCWXEZWWMX-MRXNPFEDSA-N 1 0 356.536 2.101 20 30 FEEDRO Cc1nn(C)c(C)c1[C@H]1[C@H]([NH2+]Cc2ccc(C#N)c(C)c2)CC(=O)N1C ZINC000331955150 554351884 /nfs/dbraw/zinc/35/18/84/554351884.db2.gz HFCXFWPOGAMQJB-YLJYHZDGSA-N 1 0 351.454 2.279 20 30 FEEDRO CC[NH+](CC)[C@@H](CNS(=O)(=O)N(C)[C@@H](C)CC#N)c1ccccc1 ZINC000509433138 561799634 /nfs/dbraw/zinc/79/96/34/561799634.db2.gz WQSQOPQYRQHPOQ-RDJZCZTQSA-N 1 0 352.504 2.138 20 30 FEEDRO Cc1ccc(Nc2cccc(C(=O)NC3(C#N)CC[NH+](C)CC3)c2)nn1 ZINC000609875189 554432561 /nfs/dbraw/zinc/43/25/61/554432561.db2.gz CEVAILQICVVZCD-UHFFFAOYSA-N 1 0 350.426 2.246 20 30 FEEDRO C=C[C@@H](C)NC(=O)N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000332372365 554433971 /nfs/dbraw/zinc/43/39/71/554433971.db2.gz BNJDMQZWEZETTP-MSOLQXFVSA-N 1 0 357.502 2.200 20 30 FEEDRO C[C@@H]1CN([C@@H](C(N)=O)c2ccc(C#N)cc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000332394138 554438333 /nfs/dbraw/zinc/43/83/33/554438333.db2.gz NOSNSPKXXFXJLT-ATZDWAIDSA-N 1 0 355.486 2.092 20 30 FEEDRO C[C@H]1CN([C@H](C(N)=O)c2ccc(C#N)cc2)CCN1C1CC[NH+](C)CC1 ZINC000332402310 554439789 /nfs/dbraw/zinc/43/97/89/554439789.db2.gz WBLQSKJPHKCEPK-KXBFYZLASA-N 1 0 355.486 2.235 20 30 FEEDRO CC(C)[C@@H](C(=O)N1CCN(c2cc(C#N)ccn2)CC1)[NH+]1CCCCC1 ZINC000332531856 554465184 /nfs/dbraw/zinc/46/51/84/554465184.db2.gz VYQKLGYOEZBGHA-IBGZPJMESA-N 1 0 355.486 2.112 20 30 FEEDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNS(=O)(=O)Cc2ccc(F)cc2C#N)C1 ZINC000332587121 554476830 /nfs/dbraw/zinc/47/68/30/554476830.db2.gz CMMDEAVZDYNMRL-GASCZTMLSA-N 1 0 367.490 2.485 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)CCCCN2C(=O)c3ccccc3C2=O)CC1 ZINC000510307544 561831082 /nfs/dbraw/zinc/83/10/82/561831082.db2.gz XHOIUFHWEWUBDU-UHFFFAOYSA-N 1 0 369.465 2.220 20 30 FEEDRO CN(CCC[N@H+](C)Cc1ccco1)S(=O)(=O)c1ccc(C#N)s1 ZINC000510693185 561843773 /nfs/dbraw/zinc/84/37/73/561843773.db2.gz OFRLXTGDYKXUQB-UHFFFAOYSA-N 1 0 353.469 2.355 20 30 FEEDRO CCOC(=O)C(C)(C)C1CC[NH+](CC(=O)N(CC)C[C@H](C)C#N)CC1 ZINC000510872434 561849120 /nfs/dbraw/zinc/84/91/20/561849120.db2.gz NGTDLPMJYRJPBH-OAHLLOKOSA-N 1 0 351.491 2.296 20 30 FEEDRO N#Cc1ccccc1NC(=O)CC[N@@H+]1CC[C@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000333199518 554587998 /nfs/dbraw/zinc/58/79/98/554587998.db2.gz XGDJOSOAVZDEGH-APWZRJJASA-N 1 0 366.465 2.362 20 30 FEEDRO C[C@H](NC(=O)CCC(=O)N(CCC#N)c1ccccc1)C1=CC[N@H+](C)CC1 ZINC000510803722 561847025 /nfs/dbraw/zinc/84/70/25/561847025.db2.gz LVSCBPYMVBYRAC-KRWDZBQOSA-N 1 0 368.481 2.480 20 30 FEEDRO CCOC(=O)C(C)(C)C1CC[NH+](CC(=O)N(CC)C[C@@H](C)C#N)CC1 ZINC000510872433 561849090 /nfs/dbraw/zinc/84/90/90/561849090.db2.gz NGTDLPMJYRJPBH-HNNXBMFYSA-N 1 0 351.491 2.296 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2CCCC[C@H]2[C@H]2CC[NH2+]C2)c(Cl)c1 ZINC000333855421 554649741 /nfs/dbraw/zinc/64/97/41/554649741.db2.gz OMEJGDUUWQWQMQ-ZFWWWQNUSA-N 1 0 353.875 2.364 20 30 FEEDRO N#Cc1ccccc1N1CCCN(C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000333904019 554654446 /nfs/dbraw/zinc/65/44/46/554654446.db2.gz JJAOJGIJIKGJGW-GUDVDZBRSA-N 1 0 367.497 2.168 20 30 FEEDRO C=CCOC[C@@H]1NC(=O)N(c2ccc(OCC[NH+]3CCCCC3)cc2)C1=O ZINC000348600974 554690857 /nfs/dbraw/zinc/69/08/57/554690857.db2.gz XTFYRIBCJXABBY-SFHVURJKSA-N 1 0 373.453 2.179 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CN1C(=O)N[C@@H](Cc2ccccn2)C1=O)C(C)C ZINC000349235424 554722526 /nfs/dbraw/zinc/72/25/26/554722526.db2.gz DXQFDRDWEYVWCM-ZWKOTPCHSA-N 1 0 356.470 2.243 20 30 FEEDRO CCN1CCN(S(=O)(=O)c2ccc(C#N)c(Br)c2)[C@H](C)C1 ZINC000511279838 561863767 /nfs/dbraw/zinc/86/37/67/561863767.db2.gz KEWVICMGEGUOSA-LLVKDONJSA-N 1 0 372.288 2.035 20 30 FEEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000361285609 554914837 /nfs/dbraw/zinc/91/48/37/554914837.db2.gz AQMGDKMMPNFDOT-QZTJIDSGSA-N 1 0 374.441 2.156 20 30 FEEDRO CN(C)C(=O)N1CCC([NH2+][C@@H]2CCCN(c3ccc(C#N)cc3F)C2)CC1 ZINC000362263813 554959348 /nfs/dbraw/zinc/95/93/48/554959348.db2.gz XPKDTWFCGMEHTD-QGZVFWFLSA-N 1 0 373.476 2.402 20 30 FEEDRO CCN(C(=O)N=c1[nH]n(C)cc1C#N)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000613855163 554980273 /nfs/dbraw/zinc/98/02/73/554980273.db2.gz GDUCHJAEDCBLBH-KRWDZBQOSA-N 1 0 352.442 2.420 20 30 FEEDRO N#CCCn1cc(CNC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c(-c2ccccc2)n1 ZINC000362719980 554983749 /nfs/dbraw/zinc/98/37/49/554983749.db2.gz QSEXEWYMBLTIPS-VQTJNVASSA-N 1 0 365.481 2.417 20 30 FEEDRO CC[C@@](C)(C#N)C(=O)NCc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000511695784 561878393 /nfs/dbraw/zinc/87/83/93/561878393.db2.gz QEZGEAHRMUUDIP-FQEVSTJZSA-N 1 0 356.470 2.068 20 30 FEEDRO CN(C(=O)COc1ccccc1C#N)C1CC[NH+](Cc2ccncc2)CC1 ZINC000363083926 555026556 /nfs/dbraw/zinc/02/65/56/555026556.db2.gz IGACYJGYQQHAIV-UHFFFAOYSA-N 1 0 364.449 2.455 20 30 FEEDRO C[C@H](C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000511771448 561880316 /nfs/dbraw/zinc/88/03/16/561880316.db2.gz RSEFBJHOXLDBCD-FGTMMUONSA-N 1 0 354.498 2.464 20 30 FEEDRO N#Cc1ccc2ncc(C[NH2+][C@H]3CCCN(c4ccccc4C(N)=O)C3)n2c1 ZINC000363183474 555047994 /nfs/dbraw/zinc/04/79/94/555047994.db2.gz XJEZCBQUXIQOCH-INIZCTEOSA-N 1 0 374.448 2.063 20 30 FEEDRO N#Cc1c(Cl)cccc1S(=O)(=O)N1C[C@@H]2[C@H]3CCCC[N@H+]3C[C@H]2C1 ZINC000363260107 555066457 /nfs/dbraw/zinc/06/64/57/555066457.db2.gz STZLHQJOQBKDDM-DUVNUKRYSA-N 1 0 365.886 2.316 20 30 FEEDRO CN1CC[NH+](CCC2CCN(C(=O)/C=C/c3cccc(C#N)c3)CC2)CC1 ZINC000363344572 555082176 /nfs/dbraw/zinc/08/21/76/555082176.db2.gz FFXTZYCMGYUJOI-AATRIKPKSA-N 1 0 366.509 2.448 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)[C@H]1CCC(=O)N(Cc2ccccc2)C1 ZINC000363355036 555084849 /nfs/dbraw/zinc/08/48/49/555084849.db2.gz DCSDHAMCCVQJJX-IBGZPJMESA-N 1 0 370.497 2.119 20 30 FEEDRO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCC(NC(=O)c2cccn2C)CC1 ZINC000363378594 555089297 /nfs/dbraw/zinc/08/92/97/555089297.db2.gz ARNNEYQDKAGBRY-INIZCTEOSA-N 1 0 360.502 2.032 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)[C@@H]2CCCCN2C(=O)c2ccccc2)CC1 ZINC000363388239 555092551 /nfs/dbraw/zinc/09/25/51/555092551.db2.gz RJOYAXSJHYAOHM-IBGZPJMESA-N 1 0 355.482 2.448 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)Nc2ccc3c(c2)N(C(C)=O)CCS3)CC1 ZINC000363537993 555131513 /nfs/dbraw/zinc/13/15/13/555131513.db2.gz JWQFCJCZAJDPFS-UHFFFAOYSA-N 1 0 357.479 2.429 20 30 FEEDRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)NCC#Cc2cccc(F)c2)C1 ZINC000512157781 561894308 /nfs/dbraw/zinc/89/43/08/561894308.db2.gz ZZSJYOOIBRWLLK-LJQANCHMSA-N 1 0 361.461 2.320 20 30 FEEDRO N#Cc1cc([N+](=O)[O-])ccc1N1CCC2(CC1)NC(=O)C1(CCCCC1)N2 ZINC000364017581 555234166 /nfs/dbraw/zinc/23/41/66/555234166.db2.gz MNSYASMCTAXHAU-UHFFFAOYSA-N 1 0 369.425 2.185 20 30 FEEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(-n2ccnc2C)c(F)c1 ZINC000364147209 555258679 /nfs/dbraw/zinc/25/86/79/555258679.db2.gz TXMSEDGKILSLHI-STQMWFEESA-N 1 0 373.432 2.371 20 30 FEEDRO Cc1ccc(C#N)cc1S(=O)(=O)N1C[C@@H](c2ccc(F)cc2)[C@H]([NH3+])C1 ZINC000364186541 555265704 /nfs/dbraw/zinc/26/57/04/555265704.db2.gz XZZFGRMOSJLZED-DLBZAZTESA-N 1 0 359.426 2.121 20 30 FEEDRO C=CCN(C(=O)N[C@H]1CCC(=O)N(C)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000364277349 555283327 /nfs/dbraw/zinc/28/33/27/555283327.db2.gz AQXPTIYVBGYRPH-OALUTQOASA-N 1 0 370.497 2.079 20 30 FEEDRO CC[C@H](C)[N@H+](C)CCNC(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 ZINC000512573318 561909421 /nfs/dbraw/zinc/90/94/21/561909421.db2.gz QSAYAEPOOKPHNT-HKUYNNGSSA-N 1 0 357.502 2.136 20 30 FEEDRO C=CCN(C(=O)NOC[C@H]1CCOC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000364959636 555450928 /nfs/dbraw/zinc/45/09/28/555450928.db2.gz XREUEVCQEGQKBZ-OALUTQOASA-N 1 0 359.470 2.427 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N2CCC[C@H](C(=O)Nc3ccccn3)C2)CC1 ZINC000365184597 555504444 /nfs/dbraw/zinc/50/44/44/555504444.db2.gz HKZFMAOCISQMNF-INIZCTEOSA-N 1 0 371.485 2.092 20 30 FEEDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)Cc2c(F)cccc2C#N)[C@@H](C)C1 ZINC000512951861 561920673 /nfs/dbraw/zinc/92/06/73/561920673.db2.gz XJGZHFDLEXPJFW-HNAYVOBHSA-N 1 0 361.461 2.493 20 30 FEEDRO Cc1c(C#N)cccc1C(=O)NCc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000513399242 561936921 /nfs/dbraw/zinc/93/69/21/561936921.db2.gz ISPVBCXNWRRYJU-UHFFFAOYSA-N 1 0 364.449 2.088 20 30 FEEDRO C[C@H]1C[C@@H](NC(=O)N2CCCN(c3ccc(C#N)cc3)CC2)C[N@@H+]1C1CC1 ZINC000365925477 555702527 /nfs/dbraw/zinc/70/25/27/555702527.db2.gz WYSOPOYUAYPTFY-FUHWJXTLSA-N 1 0 367.497 2.405 20 30 FEEDRO N#Cc1ncn(C2CCN(C(=O)c3ccc(C[NH+]4CCCC4)cc3)CC2)n1 ZINC000366339828 555815487 /nfs/dbraw/zinc/81/54/87/555815487.db2.gz MLLLALJOWKBTMN-UHFFFAOYSA-N 1 0 364.453 2.223 20 30 FEEDRO N#Cc1ncn(C2CC[NH+](CCC(=O)Nc3cccc(Cl)c3)CC2)n1 ZINC000366342456 555816479 /nfs/dbraw/zinc/81/64/79/555816479.db2.gz XGVFTGATXBVTOY-UHFFFAOYSA-N 1 0 358.833 2.469 20 30 FEEDRO N#Cc1ccc2ncc(C[NH2+][C@@H]3CCCN(Cc4ccccc4)C3=O)n2c1 ZINC000366934529 555975235 /nfs/dbraw/zinc/97/52/35/555975235.db2.gz PTBWSMJPLKYYSP-LJQANCHMSA-N 1 0 359.433 2.487 20 30 FEEDRO CC1(C)[C@H]([NH2+]CCNC(=O)C2N=CC=CC2=O)C[C@@H]1Oc1ccccc1 ZINC000366961463 555983299 /nfs/dbraw/zinc/98/32/99/555983299.db2.gz JHBNPXSVFUNTMY-BOUUCUSLSA-N 1 0 355.438 2.349 20 30 FEEDRO N#Cc1ncn(C2CC[NH+](CCC(=O)N3CCCc4ccccc43)CC2)n1 ZINC000367024318 556000386 /nfs/dbraw/zinc/00/03/86/556000386.db2.gz XWXJFBYRNZMJTO-UHFFFAOYSA-N 1 0 364.453 2.156 20 30 FEEDRO C[C@@H]1C[C@H](NC(=O)N2CCC(C#N)(c3ccccn3)CC2)C[N@@H+]1C1CC1 ZINC000367154875 556002498 /nfs/dbraw/zinc/00/24/98/556002498.db2.gz YCOWDMCVPVHGJS-CVEARBPZSA-N 1 0 353.470 2.274 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N2CCN(C(C)=O)C3(CCCCC3)C2)CC1 ZINC000367234888 556003694 /nfs/dbraw/zinc/00/36/94/556003694.db2.gz VKNXJFLWYYFGSN-UHFFFAOYSA-N 1 0 362.518 2.213 20 30 FEEDRO C#CC[C@@]1(C(=O)NC2CC[NH+](CC)CC2)CCCN1C(=O)OC(C)(C)C ZINC000367326019 556019134 /nfs/dbraw/zinc/01/91/34/556019134.db2.gz HLEDAERNVSTAPR-FQEVSTJZSA-N 1 0 363.502 2.380 20 30 FEEDRO Cc1cc(C#N)nc(N2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)n1 ZINC000367349969 556025133 /nfs/dbraw/zinc/02/51/33/556025133.db2.gz WNYFOZVHHCEZMX-FQEVSTJZSA-N 1 0 362.481 2.053 20 30 FEEDRO C=CCCC[C@@H](C)NC(=O)C(=O)Nc1cnn(CC[NH+]2CCCCC2)c1 ZINC000367580267 556088599 /nfs/dbraw/zinc/08/85/99/556088599.db2.gz AKLRYRSVXNYCPS-MRXNPFEDSA-N 1 0 361.490 2.169 20 30 FEEDRO N#Cc1ccc(N2CC[C@@H](C(=O)N3CC[C@@H]([NH+]4CCCC4)C3)C2)c(F)c1 ZINC000367651466 556104834 /nfs/dbraw/zinc/10/48/34/556104834.db2.gz SCEZGQRXHKVJIW-IAGOWNOFSA-N 1 0 356.445 2.220 20 30 FEEDRO C=CCN1CC[C@@H]([NH+]2CCC(C(=O)N3CCc4ccccc43)CC2)C1=O ZINC000368537047 556338421 /nfs/dbraw/zinc/33/84/21/556338421.db2.gz GWJCXTABOZYDQD-LJQANCHMSA-N 1 0 353.466 2.075 20 30 FEEDRO C=CC[C@H](C)[NH2+]C1CCN(S(=O)(=O)c2ccc(NC(C)=O)cc2)CC1 ZINC000368605274 556360253 /nfs/dbraw/zinc/36/02/53/556360253.db2.gz XQSWNOBOSJQOKY-AWEZNQCLSA-N 1 0 365.499 2.352 20 30 FEEDRO C#CC[C@H](Cc1ccccc1)NC(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000368615654 556363922 /nfs/dbraw/zinc/36/39/22/556363922.db2.gz AVWCYBVIDUAOSN-WOJBJXKFSA-N 1 0 368.525 2.089 20 30 FEEDRO C[N@@H+]1C[C@@H]2CN(S(=O)(=O)c3ccc(C#N)o3)C[C@H]2[C@H]1c1ccccc1 ZINC000368619107 556364470 /nfs/dbraw/zinc/36/44/70/556364470.db2.gz NNRQKHMNLLMFOL-QGPMSJSTSA-N 1 0 357.435 2.075 20 30 FEEDRO C[C@H](C(=O)N1CCC(Nc2ccc(C#N)cn2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000368732410 556400198 /nfs/dbraw/zinc/40/01/98/556400198.db2.gz JUGWEEDRPNDPDV-BZUAXINKSA-N 1 0 355.486 2.617 20 30 FEEDRO C=CC[C@H](C(=O)N1CCN([C@@H]2CCCCNC2=O)CC1)c1ccccc1 ZINC000368749872 556404940 /nfs/dbraw/zinc/40/49/40/556404940.db2.gz JZSNJBBMICUUOD-RBUKOAKNSA-N 1 0 355.482 2.159 20 30 FEEDRO C=CCCCCCNC(=O)N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 ZINC000515497583 562012900 /nfs/dbraw/zinc/01/29/00/562012900.db2.gz WRRONHYZSZLPJO-GOSISDBHSA-N 1 0 364.534 2.461 20 30 FEEDRO Cc1cc(NC(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)nn1-c1cccc(C#N)c1 ZINC000368800883 556416093 /nfs/dbraw/zinc/41/60/93/556416093.db2.gz SWNHKEFTTJSULB-FUHWJXTLSA-N 1 0 364.453 2.610 20 30 FEEDRO C#CCNC(=O)C1CC[NH+]([C@H](C)C(=O)N2CCC[C@H]2c2cccs2)CC1 ZINC000368822375 556422913 /nfs/dbraw/zinc/42/29/13/556422913.db2.gz GSQAEOOTIVAGKG-WBVHZDCISA-N 1 0 373.522 2.262 20 30 FEEDRO N#Cc1ccccc1N1CCN(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000368884087 556438596 /nfs/dbraw/zinc/43/85/96/556438596.db2.gz NYZDTHWUPSVLOY-QZTJIDSGSA-N 1 0 353.470 2.017 20 30 FEEDRO C=CCSc1ccccc1NC(=O)CN1CCC[N@@H+]([C@@H](C)CO)CC1 ZINC000368962672 556460996 /nfs/dbraw/zinc/46/09/96/556460996.db2.gz CFUAYGRXWCHTOL-INIZCTEOSA-N 1 0 363.527 2.292 20 30 FEEDRO Cc1cc(C)n(CC2CC[NH+](CC(=O)NCc3cccc(C#N)c3)CC2)n1 ZINC000369040109 556486095 /nfs/dbraw/zinc/48/60/95/556486095.db2.gz BMMRNFIENRIBGH-UHFFFAOYSA-N 1 0 365.481 2.400 20 30 FEEDRO N#Cc1ccc(CNC(=O)N2CCC(CC[NH+]3CCOCC3)CC2)cc1 ZINC000369049069 556488564 /nfs/dbraw/zinc/48/85/64/556488564.db2.gz ZSEASDCICNPKCA-UHFFFAOYSA-N 1 0 356.470 2.202 20 30 FEEDRO CC[NH+](CC)Cc1ccc(CNC(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1 ZINC000369229893 556542362 /nfs/dbraw/zinc/54/23/62/556542362.db2.gz GSGQMYVHOIGSLZ-HXUWFJFHSA-N 1 0 369.513 2.410 20 30 FEEDRO Cc1nc(C)n(C[C@H]2CCCC[N@@H+]2C[C@H](O)COc2ccc(C#N)cc2)n1 ZINC000369238860 556545838 /nfs/dbraw/zinc/54/58/38/556545838.db2.gz SPMLBZZCADYQRQ-MOPGFXCFSA-N 1 0 369.469 2.061 20 30 FEEDRO C=CC[C@H](C)[C@@H](C)[NH2+]C[C@@H]1CCn2ncc(C(=O)N3CCN(C)CC3)c2C1 ZINC000369519195 556618470 /nfs/dbraw/zinc/61/84/70/556618470.db2.gz PIEOZYFNINHHQI-RCCFBDPRSA-N 1 0 373.545 2.023 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)[C@H]2CCN(c3ccc(C)c(C)c3)C2=O)CC1 ZINC000369589805 556640570 /nfs/dbraw/zinc/64/05/70/556640570.db2.gz ABGYOPQYHLYWBY-HXUWFJFHSA-N 1 0 367.493 2.260 20 30 FEEDRO COc1cc(C#N)ccc1OCC[N@@H+]1CCC[C@H]1Cn1nc(C)nc1C ZINC000369593057 556641733 /nfs/dbraw/zinc/64/17/33/556641733.db2.gz TVEPHTRVXRUILC-KRWDZBQOSA-N 1 0 355.442 2.319 20 30 FEEDRO Cc1ccc(C(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cc1C#N ZINC000369746433 556683816 /nfs/dbraw/zinc/68/38/16/556683816.db2.gz VZCHEUQVPZDOOI-YOFSQIOKSA-N 1 0 352.482 2.250 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)[C@@H]2CCCN2C(=O)C2CCCCC2)CC1 ZINC000369752257 556685220 /nfs/dbraw/zinc/68/52/20/556685220.db2.gz FFNYQGHRUSEUSM-IBGZPJMESA-N 1 0 359.514 2.162 20 30 FEEDRO C#CC[C@@H]([NH2+]CC(=O)N1CCC(C(=O)N2CCCC2)CC1)c1ccccc1 ZINC000369842429 556709836 /nfs/dbraw/zinc/70/98/36/556709836.db2.gz UQBVYCBJDGGSOE-HXUWFJFHSA-N 1 0 367.493 2.202 20 30 FEEDRO C[C@@H]1C[C@H](N(C)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CC[N@@H+]1C ZINC000369859237 556714277 /nfs/dbraw/zinc/71/42/77/556714277.db2.gz AFIUAKXDZKPIJW-CRAIPNDOSA-N 1 0 370.501 2.046 20 30 FEEDRO CC[N@H+](C)[C@H](C(=O)N1CCC(n2cnc(C#N)n2)CC1)c1ccccc1 ZINC000370041564 556764819 /nfs/dbraw/zinc/76/48/19/556764819.db2.gz FVIUHMQTRUXLED-SFHVURJKSA-N 1 0 352.442 2.006 20 30 FEEDRO N#Cc1ccc(NC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCCCC3)C2)cc1 ZINC000370119390 556786176 /nfs/dbraw/zinc/78/61/76/556786176.db2.gz HSNRPBGVFTXGDJ-GOSISDBHSA-N 1 0 354.454 2.364 20 30 FEEDRO Cc1cc(N2CCC(NC(=O)[C@@H](C)Oc3ccc(C#N)cc3)CC2)ncn1 ZINC000370273465 556826871 /nfs/dbraw/zinc/82/68/71/556826871.db2.gz WPLRFMAQKNVYCO-OAHLLOKOSA-N 1 0 365.437 2.209 20 30 FEEDRO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC[C@@]2(C1)CCCN(C)C2=O ZINC000370406490 556863105 /nfs/dbraw/zinc/86/31/05/556863105.db2.gz NAIMLEDDNVUBEH-LAUBAEHRSA-N 1 0 368.481 2.266 20 30 FEEDRO Cc1cc(NC(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)nn1-c1cccc(C#N)c1 ZINC000370696060 556942376 /nfs/dbraw/zinc/94/23/76/556942376.db2.gz FGRCEZVQLCYDSN-DLBZAZTESA-N 1 0 364.453 2.801 20 30 FEEDRO CN(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1CCC[C@H]1[NH+]1CCOCC1 ZINC000370757727 556959488 /nfs/dbraw/zinc/95/94/88/556959488.db2.gz IKCAMEVGKHUVKE-RTBURBONSA-N 1 0 356.470 2.201 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N(CC)[C@H](c2nccn2C)c2cccnc2)CC1 ZINC000370863636 556994455 /nfs/dbraw/zinc/99/44/55/556994455.db2.gz XHINAKHZRFXIMM-IBGZPJMESA-N 1 0 365.481 2.098 20 30 FEEDRO C=CCOc1cccc(NC(=O)N2CC[NH+]([C@@H]3CCNC(=O)CC3)CC2)c1 ZINC000517013210 562070890 /nfs/dbraw/zinc/07/08/90/562070890.db2.gz YFEHLHOUNRVTFE-KRWDZBQOSA-N 1 0 372.469 2.070 20 30 FEEDRO CN1CCC([NH+]2CCC(CCNC(=O)c3cccc(C#N)c3)CC2)CC1 ZINC000371085409 557070708 /nfs/dbraw/zinc/07/07/08/557070708.db2.gz IWKPNNNAYJVBBZ-UHFFFAOYSA-N 1 0 354.498 2.484 20 30 FEEDRO CCn1nc2c(cc1=O)C[N@@H+](Cc1ccc(N(C)CCC#N)cc1)CC2 ZINC000371328349 557148399 /nfs/dbraw/zinc/14/83/99/557148399.db2.gz UQMUXEKWSIZVMX-UHFFFAOYSA-N 1 0 351.454 2.171 20 30 FEEDRO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC[C@@H]1C[C@H](O)c1cnn(C)c1 ZINC000371334063 557149784 /nfs/dbraw/zinc/14/97/84/557149784.db2.gz DDTKYPIETUWGSD-NXHRZFHOSA-N 1 0 373.501 2.039 20 30 FEEDRO CC1(C)C(=O)N[C@H]1C1CC[NH+](CCC(=O)Nc2sccc2C#N)CC1 ZINC000517388174 562088080 /nfs/dbraw/zinc/08/80/80/562088080.db2.gz YUKGUVPLXHAPIH-HNNXBMFYSA-N 1 0 360.483 2.185 20 30 FEEDRO Cc1cc(C)n2c(CN3C[C@@H](C#N)[C@@]4(C3)c3ccccc3NC4=O)cnc2n1 ZINC000371457037 557189889 /nfs/dbraw/zinc/18/98/89/557189889.db2.gz HXJJGFNWZQWFRR-VFNWGFHPSA-N 1 0 372.432 2.192 20 30 FEEDRO C=CCSCCNC(=O)c1nnn(-c2cccc3c2CC[N@@H+](C)C3)c1C ZINC000371585762 557230460 /nfs/dbraw/zinc/23/04/60/557230460.db2.gz LPFAMSOINZPRPZ-UHFFFAOYSA-N 1 0 371.510 2.213 20 30 FEEDRO C[C@H](C#N)Oc1ccccc1NC(=O)N1CCC[C@@H]1C[N@@H+]1CCC[C@H]1CO ZINC000371609052 557238592 /nfs/dbraw/zinc/23/85/92/557238592.db2.gz UGQVQQDIRFXXFH-ZACQAIPSSA-N 1 0 372.469 2.430 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1ccc(-n2nnnc2C)cc1)C(C)C ZINC000518197283 562106243 /nfs/dbraw/zinc/10/62/43/562106243.db2.gz IJQLEDNVBUGGLU-LJQANCHMSA-N 1 0 368.485 2.399 20 30 FEEDRO C=C[C@@](C)(CCOC)c1nc(-c2cccc(N3CC[NH+](C)CC3)n2)no1 ZINC000518254781 562107231 /nfs/dbraw/zinc/10/72/31/562107231.db2.gz JUEIRVAZRKBISY-IBGZPJMESA-N 1 0 357.458 2.364 20 30 FEEDRO Cc1sc(NC(=O)C[NH2+]C2(CO)Cc3ccccc3C2)c(C#N)c1C ZINC000371866339 557314402 /nfs/dbraw/zinc/31/44/02/557314402.db2.gz IASCUMVNJAZBMV-UHFFFAOYSA-N 1 0 355.463 2.295 20 30 FEEDRO CC(C)[NH+]1CCN([C@H]2CCN(C(=O)Nc3ccc(CC#N)cc3)C2)CC1 ZINC000371942728 557334609 /nfs/dbraw/zinc/33/46/09/557334609.db2.gz NCXCZAJWSWASPZ-IBGZPJMESA-N 1 0 355.486 2.385 20 30 FEEDRO CO[C@H]1C[C@H](c2nc(C3CC3)no2)N(C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000372453199 557474501 /nfs/dbraw/zinc/47/45/01/557474501.db2.gz BYODSUOVTJNIFJ-GVDBMIGSSA-N 1 0 354.410 2.314 20 30 FEEDRO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1NC(=O)NCc1ccc(C#N)cc1 ZINC000372653763 557530491 /nfs/dbraw/zinc/53/04/91/557530491.db2.gz FTTFAKWSMRSVNF-AYOQOUSVSA-N 1 0 356.470 2.247 20 30 FEEDRO C[C@H](CNC(=O)[C@H](C)[NH+]1CCC(n2cnc(C#N)n2)CC1)c1ccccc1 ZINC000373400992 557687252 /nfs/dbraw/zinc/68/72/52/557687252.db2.gz UGYKIIDCRGERIX-CVEARBPZSA-N 1 0 366.469 2.095 20 30 FEEDRO N#Cc1ccc(NC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)cc1Cl ZINC000373921409 557787353 /nfs/dbraw/zinc/78/73/53/557787353.db2.gz MDYHBAMWTQNDAI-HNNXBMFYSA-N 1 0 360.845 2.237 20 30 FEEDRO CC(=O)N1CCC[C@H]1[C@@H]1CCC[N@@H+]1CCC(=O)Nc1ccccc1C#N ZINC000373965094 557797346 /nfs/dbraw/zinc/79/73/46/557797346.db2.gz MNYXBGYLVYYTJH-OALUTQOASA-N 1 0 354.454 2.362 20 30 FEEDRO O=C(C[N@H+]1CCCC[C@H](CO)C1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000374048500 557813840 /nfs/dbraw/zinc/81/38/40/557813840.db2.gz HEXALXVYYJKNDP-INIZCTEOSA-N 1 0 368.399 2.268 20 30 FEEDRO Cn1nccc1[C@H]1[C@H]([NH2+]Cc2ccc(C#N)c(F)c2)CCC(=O)N1C1CC1 ZINC000520790230 562163825 /nfs/dbraw/zinc/16/38/25/562163825.db2.gz NKLBSJWOLJJXOG-YLJYHZDGSA-N 1 0 367.428 2.415 20 30 FEEDRO C[N@H+](CCCC1(C#N)CCOCC1)[C@@H]1CC(=O)N(Cc2ccccc2)C1=O ZINC000374109551 557825054 /nfs/dbraw/zinc/82/50/54/557825054.db2.gz SQIUFHYIUJFTDK-GOSISDBHSA-N 1 0 369.465 2.346 20 30 FEEDRO COC(=O)[C@@H]1C[N@H+](C[C@H](O)c2ccc(C#N)cc2)C[C@H]1c1ccccc1 ZINC000374161673 557834561 /nfs/dbraw/zinc/83/45/61/557834561.db2.gz KJEYKEZMDQDHKE-ZCNNSNEGSA-N 1 0 350.418 2.480 20 30 FEEDRO N#Cc1cc(S(=O)(=O)N2CC[C@@H]([NH+]3CCCC3)C2)ccc1C(F)(F)F ZINC000374446708 557885322 /nfs/dbraw/zinc/88/53/22/557885322.db2.gz MDBZKRLIUGZLOW-CYBMUJFWSA-N 1 0 373.400 2.436 20 30 FEEDRO C[C@@H]([NH2+]Cc1cn(C)c(=O)n(C)c1=O)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000374696640 557918034 /nfs/dbraw/zinc/91/80/34/557918034.db2.gz YINORPHZAHBUJW-OAHLLOKOSA-N 1 0 374.444 2.473 20 30 FEEDRO CN1CCN(C2CC[NH+](Cc3cccc(OCCCC#N)c3)CC2)C(=O)C1 ZINC000374737635 557923413 /nfs/dbraw/zinc/92/34/13/557923413.db2.gz TZXYIUOLQUQWPX-UHFFFAOYSA-N 1 0 370.497 2.108 20 30 FEEDRO CN1CC[NH+](CC2(C)CCN(C(=O)/C=C/c3ccccc3C#N)CC2)CC1 ZINC000374974457 557958352 /nfs/dbraw/zinc/95/83/52/557958352.db2.gz ZSPBOUQLOGRACW-BQYQJAHWSA-N 1 0 366.509 2.448 20 30 FEEDRO C[NH+]1CCC(C#N)(NC(=O)C2CCN(C(=O)Nc3ccccc3)CC2)CC1 ZINC000521242169 562172740 /nfs/dbraw/zinc/17/27/40/562172740.db2.gz SLRRWGKMMFABBY-UHFFFAOYSA-N 1 0 369.469 2.035 20 30 FEEDRO COC(=O)c1cn([C@H]2CCC[N@H+](Cc3ccc(O[C@@H](C)C#N)cc3)C2)nn1 ZINC000375176719 557987514 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2.133 20 30 FEEDRO C[NH+]1CCC(N2CC[C@@H](NC(=O)C(C)(C)c3cc(F)cc(C#N)c3)C2)CC1 ZINC000375737227 558074889 /nfs/dbraw/zinc/07/48/89/558074889.db2.gz AGYVVKDEJYUGAL-GOSISDBHSA-N 1 0 372.488 2.260 20 30 FEEDRO N#Cc1cc(C(=O)NC[C@@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)ccc1F ZINC000376068928 558122583 /nfs/dbraw/zinc/12/25/83/558122583.db2.gz QKKYKJBCJAFVMK-ROUUACIJSA-N 1 0 353.397 2.063 20 30 FEEDRO CC(C)[NH+]1CCN([C@H]2CCN(C(=O)c3cc(C#N)ccc3Cl)C2)CC1 ZINC000376117657 558129299 /nfs/dbraw/zinc/12/92/99/558129299.db2.gz QAQQJOFRWSICHB-INIZCTEOSA-N 1 0 360.889 2.452 20 30 FEEDRO N#CC1(NC(=O)C(F)(F)C2(O)CCC2)CC[NH+](Cc2ccccc2)CC1 ZINC000376179454 558137188 /nfs/dbraw/zinc/13/71/88/558137188.db2.gz AOADQBYYMLBUGA-UHFFFAOYSA-N 1 0 363.408 2.211 20 30 FEEDRO CN1CC[NH+](C[C@@H]2CCCN(c3nc4cc(Cl)ccn4c3C#N)C2)CC1 ZINC000376188040 558138450 /nfs/dbraw/zinc/13/84/50/558138450.db2.gz OOTOLTVYZTWHHQ-HNNXBMFYSA-N 1 0 372.904 2.323 20 30 FEEDRO N#CC1(CCC[N@H+]2CCC[C@@H]2C(=O)N2CCSCC2)CCOCC1 ZINC000376627903 558199726 /nfs/dbraw/zinc/19/97/26/558199726.db2.gz QALUCPROPLXZJS-MRXNPFEDSA-N 1 0 351.516 2.127 20 30 FEEDRO C=CCOCCNC(=O)C(=O)Nc1cccc2c1C[N@H+]([C@@H](C)C(C)C)C2 ZINC000376839922 558228321 /nfs/dbraw/zinc/22/83/21/558228321.db2.gz ANFYKKPGVWQNCN-HNNXBMFYSA-N 1 0 359.470 2.304 20 30 FEEDRO N#Cc1ccc(N2CC[C@H](C(=O)N[C@H]3CC[N@@H+]4CCC[C@H]4C3)C2)c(F)c1 ZINC000377166383 558280126 /nfs/dbraw/zinc/28/01/26/558280126.db2.gz ZOUAJNNOOCJSCG-ULQDDVLXSA-N 1 0 356.445 2.267 20 30 FEEDRO CCOC(=O)C1CCN(C(=O)C[C@H](C)[NH2+]Cc2ccc(CC#N)cc2)CC1 ZINC000522000054 562188684 /nfs/dbraw/zinc/18/86/84/562188684.db2.gz CZBLPCXUEJUTBJ-INIZCTEOSA-N 1 0 371.481 2.423 20 30 FEEDRO N#Cc1cccc(OCCCCC(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c1 ZINC000377610361 558376833 /nfs/dbraw/zinc/37/68/33/558376833.db2.gz WDMFOFSZFCBINN-PMACEKPBSA-N 1 0 371.481 2.165 20 30 FEEDRO COC1CC[NH+](C2(CN[C@H](C(N)=O)c3ccc(C#N)cc3)CCCC2)CC1 ZINC000522370638 562197554 /nfs/dbraw/zinc/19/75/54/562197554.db2.gz BBWIBGBOABZMRM-IBGZPJMESA-N 1 0 370.497 2.098 20 30 FEEDRO COc1cc(C[N@@H+]2CCCC[C@H]2COC(=O)N[C@H]2CCOC2)ccc1C#N ZINC000377690385 558398275 /nfs/dbraw/zinc/39/82/75/558398275.db2.gz GGVSPNPTAVEVKW-ROUUACIJSA-N 1 0 373.453 2.436 20 30 FEEDRO C[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2cccc(C#N)c2)[C@H]1c1cccs1 ZINC000377758147 558413242 /nfs/dbraw/zinc/41/32/42/558413242.db2.gz BIJKNKFDYRSMCU-YOEHRIQHSA-N 1 0 368.462 2.367 20 30 FEEDRO C[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccc(C#N)cc2)[C@@H]1c1cccs1 ZINC000377759874 558413889 /nfs/dbraw/zinc/41/38/89/558413889.db2.gz IAUQVCDZXVUQFT-RHSMWYFYSA-N 1 0 368.462 2.367 20 30 FEEDRO COc1ccc(C[NH2+][C@@H]2CCCS(=O)(=O)C2)cc1OCCCC#N ZINC000522891857 562205566 /nfs/dbraw/zinc/20/55/66/562205566.db2.gz AWTOXRYNANYEIJ-OAHLLOKOSA-N 1 0 352.456 2.045 20 30 FEEDRO N#Cc1c(Cl)cccc1S(=O)(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000378229896 558506936 /nfs/dbraw/zinc/50/69/36/558506936.db2.gz OQBLJRYALAHQEJ-IUODEOHRSA-N 1 0 353.875 2.364 20 30 FEEDRO C#CC[C@H](NC(=O)N1CCC[C@H]1C[N@H+]1CCC[C@@H]1CO)c1ccccc1 ZINC000378277440 558517449 /nfs/dbraw/zinc/51/74/49/558517449.db2.gz MMEVLYMBGORCDK-ZCNNSNEGSA-N 1 0 355.482 2.382 20 30 FEEDRO Cc1cc(=NC(=O)N(C)C2CCN(c3cc[nH+]cc3)CC2)[nH]n1CCC#N ZINC000378513178 558572938 /nfs/dbraw/zinc/57/29/38/558572938.db2.gz APXABPQFVWEHOC-UHFFFAOYSA-N 1 0 367.457 2.633 20 30 FEEDRO N#Cc1ccccc1N1CCC[C@H]([NH2+]Cc2cn(Cc3cccnc3)nn2)C1 ZINC000378643976 558599889 /nfs/dbraw/zinc/59/98/89/558599889.db2.gz KMBSDVRFMCISGE-IBGZPJMESA-N 1 0 373.464 2.352 20 30 FEEDRO Cc1nnc(NCC2(O)CC[NH+](Cc3ccccc3)CC2)c(C#N)c1C ZINC000397626975 558624623 /nfs/dbraw/zinc/62/46/23/558624623.db2.gz YISZGWWTZIMRLH-UHFFFAOYSA-N 1 0 351.454 2.404 20 30 FEEDRO CC(=O)N1CCC([NH2+][C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)CC1 ZINC000524300202 562226685 /nfs/dbraw/zinc/22/66/85/562226685.db2.gz HIFBHKXLDCFVIL-NSHDSACASA-N 1 0 360.483 2.036 20 30 FEEDRO CCN(CCC#N)S(=O)(=O)N1CCC(CCC[NH+](CC)CC)CC1 ZINC000409506839 558698464 /nfs/dbraw/zinc/69/84/64/558698464.db2.gz FKGNPVKTRMIKEJ-UHFFFAOYSA-N 1 0 358.552 2.301 20 30 FEEDRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CSc2ccc(C#N)cc2F)C1 ZINC000524727022 562233246 /nfs/dbraw/zinc/23/32/46/562233246.db2.gz BSNLBTULGDIIEQ-OAHLLOKOSA-N 1 0 365.474 2.262 20 30 FEEDRO C[C@@H]1C[C@H](NS(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)CC[N@@H+]1C ZINC000410161457 558743316 /nfs/dbraw/zinc/74/33/16/558743316.db2.gz KTNLXNGIHPVYSQ-ZYHUDNBSSA-N 1 0 361.389 2.338 20 30 FEEDRO CCN(CCC#N)S(=O)(=O)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000410162686 558743339 /nfs/dbraw/zinc/74/33/39/558743339.db2.gz UFJCDNGJEIBILS-QGZVFWFLSA-N 1 0 364.515 2.063 20 30 FEEDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2ncc(C#N)cc2Cl)[C@@H](C)C1 ZINC000410485461 558766630 /nfs/dbraw/zinc/76/66/30/558766630.db2.gz TVSFLAXWDRIYDH-XJKSGUPXSA-N 1 0 364.877 2.473 20 30 FEEDRO C=CCCN(C)C(=O)C(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000410838006 558815550 /nfs/dbraw/zinc/81/55/50/558815550.db2.gz ABZQTSYWBORGIZ-OAQYLSRUSA-N 1 0 355.482 2.146 20 30 FEEDRO Cc1cc(NC(=O)C(=O)N(C[C@H](C)C#N)C2CC2)ccc1OCC[NH+](C)C ZINC000411421161 558891896 /nfs/dbraw/zinc/89/18/96/558891896.db2.gz VOPPZDKXIFUHII-CQSZACIVSA-N 1 0 372.469 2.025 20 30 FEEDRO C[C@H](O)CC[NH+]1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 ZINC000411419636 558891930 /nfs/dbraw/zinc/89/19/30/558891930.db2.gz HCOJOTGGLGPUEE-XJKSGUPXSA-N 1 0 352.276 2.402 20 30 FEEDRO CC(C)(CC#N)CNC(=O)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000411636719 558933305 /nfs/dbraw/zinc/93/33/05/558933305.db2.gz RYNNVQBXTBINCU-UHFFFAOYSA-N 1 0 356.470 2.319 20 30 FEEDRO CC(C)[N@H+](C)CC1CCN(C(=O)C(=O)Nc2ccc(F)cc2C#N)CC1 ZINC000525835887 562256642 /nfs/dbraw/zinc/25/66/42/562256642.db2.gz ZLRGEGSPWNMAKS-UHFFFAOYSA-N 1 0 360.433 2.215 20 30 FEEDRO N#Cc1ccccc1NC(=O)CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](C(N)=O)C1 ZINC000411987231 558999504 /nfs/dbraw/zinc/99/95/04/558999504.db2.gz UPALPTSTILQMAV-ZWKOTPCHSA-N 1 0 362.433 2.088 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@@H](CO)[C@@H]1CCCOC1 ZINC000411999722 559000997 /nfs/dbraw/zinc/00/09/97/559000997.db2.gz XYWLKSUYASDGDE-UXLLHSPISA-N 1 0 352.500 2.028 20 30 FEEDRO C=CCc1ccc(OC[C@H](O)C[N@@H+]2C[C@@H]3CC[C@H](O)C[C@@H]3C2)c(OC)c1 ZINC000412045886 559005937 /nfs/dbraw/zinc/00/59/37/559005937.db2.gz SOFRPXSVZJHNHO-ZSYWTGECSA-N 1 0 361.482 2.256 20 30 FEEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SC[C@H]1CCCNC1=O ZINC000412993256 559069342 /nfs/dbraw/zinc/06/93/42/559069342.db2.gz XICVDCNIUCURKD-OAHLLOKOSA-N 1 0 363.531 2.111 20 30 FEEDRO C=CCOc1cccc(C[NH+]2CCC(N3CCCS3(=O)=O)CC2)c1 ZINC000414471366 559166911 /nfs/dbraw/zinc/16/69/11/559166911.db2.gz OULAAGVUKOQNOL-UHFFFAOYSA-N 1 0 350.484 2.251 20 30 FEEDRO C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NC(CC)(CC)C[NH3+])cc1 ZINC000414900885 559194027 /nfs/dbraw/zinc/19/40/27/559194027.db2.gz WMFQNLRTMFVEMS-UHFFFAOYSA-N 1 0 368.503 2.132 20 30 FEEDRO CO[C@@H]1CCN(C(=O)Nc2cc(C#N)ccc2OC(F)F)[C@H](C[NH3+])C1 ZINC000415121160 559206505 /nfs/dbraw/zinc/20/65/05/559206505.db2.gz HMJWVKXXQRRTOQ-NWDGAFQWSA-N 1 0 354.357 2.130 20 30 FEEDRO CCC(CC)CN(CCC#N)C(=O)C(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000415125892 559206653 /nfs/dbraw/zinc/20/66/53/559206653.db2.gz FOLQVJDJSONMGJ-MRXNPFEDSA-N 1 0 371.485 2.015 20 30 FEEDRO N#CCCSc1ccccc1NC(=O)C(=O)NCC1([NH3+])CCCCC1 ZINC000415283618 559220941 /nfs/dbraw/zinc/22/09/41/559220941.db2.gz UBPRSGQVPYNMJG-UHFFFAOYSA-N 1 0 360.483 2.409 20 30 FEEDRO N#Cc1cccc(Oc2ccc(NC(=O)C(=O)N3CC[C@H](C[NH3+])C3)cc2)c1 ZINC000415356588 559227082 /nfs/dbraw/zinc/22/70/82/559227082.db2.gz QTXOWVYZULRPBX-OAHLLOKOSA-N 1 0 364.405 2.096 20 30 FEEDRO CC[NH2+]CCNC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C ZINC000415368119 559228122 /nfs/dbraw/zinc/22/81/22/559228122.db2.gz MLCJZDQXQTXAFA-UHFFFAOYSA-N 1 0 366.421 2.323 20 30 FEEDRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)Nc2sc(C(C)(C)C)cc2C#N)C1 ZINC000415432828 559235956 /nfs/dbraw/zinc/23/59/56/559235956.db2.gz HPEJGVUHAXCTJX-RYUDHWBXSA-N 1 0 362.499 2.442 20 30 FEEDRO CC(C)Oc1ccc(NC(=O)C(=O)N[C@H](C[NH3+])C2CCCCC2)cc1C#N ZINC000415432326 559236059 /nfs/dbraw/zinc/23/60/59/559236059.db2.gz VSXQUSFYPOKIHL-QGZVFWFLSA-N 1 0 372.469 2.308 20 30 FEEDRO N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N[C@H](C[NH3+])C3CC3)cc2)cc1 ZINC000415445436 559237743 /nfs/dbraw/zinc/23/77/43/559237743.db2.gz FIEJCXRSFFXKRG-GOSISDBHSA-N 1 0 364.405 2.143 20 30 FEEDRO C[C@](C[NH3+])(NC(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1)C1CC1 ZINC000415471133 559240943 /nfs/dbraw/zinc/24/09/43/559240943.db2.gz ZTMKAAQJSYGNKK-QGZVFWFLSA-N 1 0 358.833 2.646 20 30 FEEDRO N#Cc1ccc(-n2ccc(NC(=O)NCCC[C@@H]3CCC[NH2+]3)n2)c(Cl)c1 ZINC000415471178 559240977 /nfs/dbraw/zinc/24/09/77/559240977.db2.gz ZYNGCBJPQQHAAN-AWEZNQCLSA-N 1 0 372.860 3.051 20 30 FEEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000415516335 559245682 /nfs/dbraw/zinc/24/56/82/559245682.db2.gz FTOLZKVFZSQPCV-MCIONIFRSA-N 1 0 360.483 2.073 20 30 FEEDRO C=C(C)COc1cccc(NC(=O)C(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000415545004 559248160 /nfs/dbraw/zinc/24/81/60/559248160.db2.gz VIZXVDOLCGQPSU-SJPCQFCGSA-N 1 0 357.454 2.321 20 30 FEEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000415591179 559253373 /nfs/dbraw/zinc/25/33/73/559253373.db2.gz HRLSLBPRPMTQNH-KUHUBIRLSA-N 1 0 372.494 2.089 20 30 FEEDRO N#CCc1cccc(NC(=O)C(=O)N(CCC[NH3+])Cc2ccccc2)c1 ZINC000415653464 559258470 /nfs/dbraw/zinc/25/84/70/559258470.db2.gz FPHORUYOABHUGT-UHFFFAOYSA-N 1 0 350.422 2.069 20 30 FEEDRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)Nc1ccccc1C#Cc1ccccc1 ZINC000415660706 559259219 /nfs/dbraw/zinc/25/92/19/559259219.db2.gz PUNJKPDKOXXSRY-LPHOPBHVSA-N 1 0 361.445 2.139 20 30 FEEDRO CC(C)(C)c1cc(C#N)c(NC(=O)C(=O)N2CCC[C@@H](CC[NH3+])C2)s1 ZINC000415687234 559262022 /nfs/dbraw/zinc/26/20/22/559262022.db2.gz JGSFVPRSGHQOLR-LBPRGKRZSA-N 1 0 362.499 2.443 20 30 FEEDRO Cc1c(C#N)cccc1NC(=O)C(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000415826426 559275595 /nfs/dbraw/zinc/27/55/95/559275595.db2.gz CNWDDFOTFMAHLP-SFHVURJKSA-N 1 0 350.422 2.402 20 30 FEEDRO N#Cc1ccsc1NC(=O)C(=O)N1CC[C@@H](c2ccc(F)cc2)[C@H]([NH3+])C1 ZINC000415862065 559279450 /nfs/dbraw/zinc/27/94/50/559279450.db2.gz RPPMMCZXKFDLIR-LSDHHAIUSA-N 1 0 372.425 2.041 20 30 FEEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCCC1=CC[NH2+]CC1 ZINC000415883282 559281025 /nfs/dbraw/zinc/28/10/25/559281025.db2.gz YFMIZSLXSRAQOB-AWEZNQCLSA-N 1 0 372.494 2.445 20 30 FEEDRO C[C@H](C#N)S(=O)(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000416481894 559316496 /nfs/dbraw/zinc/31/64/96/559316496.db2.gz WIVUNYJRMIGWKT-LSTHTHJFSA-N 1 0 369.490 2.486 20 30 FEEDRO CN(C(C)(C)C[NH+]1CCCC1)S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000416659179 559328177 /nfs/dbraw/zinc/32/81/77/559328177.db2.gz HEICWXKOMUHMON-UHFFFAOYSA-N 1 0 357.426 2.331 20 30 FEEDRO CN(C(C)(C)C[NH+]1CCCC1)S(=O)(=O)Cc1cc(C#N)ccc1F ZINC000416659367 559328242 /nfs/dbraw/zinc/32/82/42/559328242.db2.gz HRAVDHWQHBJNJP-UHFFFAOYSA-N 1 0 353.463 2.333 20 30 FEEDRO N#Cc1ccccc1CSCCNC(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000416872128 559336032 /nfs/dbraw/zinc/33/60/32/559336032.db2.gz QEZGFMHUMNZLLG-ZWKOTPCHSA-N 1 0 358.511 2.479 20 30 FEEDRO C=CCc1cc(CNC(=O)N[C@@H](CC[NH3+])C(F)F)cc(OC)c1OC ZINC000417392992 559360611 /nfs/dbraw/zinc/36/06/11/559360611.db2.gz TYHCRLCUGSJJKI-ZDUSSCGKSA-N 1 0 357.401 2.214 20 30 FEEDRO N#Cc1ccc(N2CCC[C@H](NC(=O)NC[C@H]3CCC[C@@H]([NH3+])C3)C2)c(F)c1 ZINC000417573885 559367300 /nfs/dbraw/zinc/36/73/00/559367300.db2.gz HZPWREJMTFJCRY-BBWFWOEESA-N 1 0 373.476 2.483 20 30 FEEDRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)C1 ZINC000417577222 559367382 /nfs/dbraw/zinc/36/73/82/559367382.db2.gz LOTMZBRLVRWYCD-UAGQMJEPSA-N 1 0 373.476 2.435 20 30 FEEDRO C[NH2+]C[C@H]1CCCN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)C1 ZINC000417578736 559367474 /nfs/dbraw/zinc/36/74/74/559367474.db2.gz OFNPTZMWBGLOLS-IAGOWNOFSA-N 1 0 373.476 2.307 20 30 FEEDRO N#Cc1ccc(N2CCC[C@H](NC(=O)N[C@@H]3CCCC[C@@H]3C[NH3+])C2)c(F)c1 ZINC000417580683 559367620 /nfs/dbraw/zinc/36/76/20/559367620.db2.gz RKLMPZFJSNOCQO-SOLBZPMBSA-N 1 0 373.476 2.483 20 30 FEEDRO C=CCC[C@H](CO)NC(=O)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000418576016 559406884 /nfs/dbraw/zinc/40/68/84/559406884.db2.gz XFUNBZGCMSYRMR-JKIFEVAISA-N 1 0 353.413 2.037 20 30 FEEDRO C=CCN(CCOC)C(=O)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000418575657 559406885 /nfs/dbraw/zinc/40/68/85/559406885.db2.gz WVWKUPJZTJLPCK-WMLDXEAASA-N 1 0 353.413 2.254 20 30 FEEDRO C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000419057024 559426447 /nfs/dbraw/zinc/42/64/47/559426447.db2.gz NCDGYWFJKDKYMV-FQEVSTJZSA-N 1 0 369.509 2.281 20 30 FEEDRO CC(C)c1ccc([C@@H]([NH3+])CNC(=O)C(=O)NCc2cccc(C#N)c2)cc1 ZINC000419082214 559427456 /nfs/dbraw/zinc/42/74/56/559427456.db2.gz TYGJFWHHNYZNPW-IBGZPJMESA-N 1 0 364.449 2.114 20 30 FEEDRO C[C@@H](NC(=O)C(=O)NCc1ccc([C@H](C)[NH3+])cc1)c1ccc(C#N)cc1 ZINC000419297306 559435749 /nfs/dbraw/zinc/43/57/49/559435749.db2.gz YSPBWKOWEYQURG-UONOGXRCSA-N 1 0 350.422 2.072 20 30 FEEDRO C=CCC[C@H](NC(=O)C(=O)N(C)CC[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000419470102 559444162 /nfs/dbraw/zinc/44/41/62/559444162.db2.gz DYWYCSMDIKYMJO-AWEZNQCLSA-N 1 0 357.376 2.246 20 30 FEEDRO CC(C)N(Cc1ccc(C#N)cc1)C(=O)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000420162964 559475233 /nfs/dbraw/zinc/47/52/33/559475233.db2.gz KXUMMRKZUYIVLI-SFHVURJKSA-N 1 0 370.497 2.190 20 30 FEEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000420181700 559475912 /nfs/dbraw/zinc/47/59/12/559475912.db2.gz YEIXELAIXGDGII-SFHVURJKSA-N 1 0 370.497 2.191 20 30 FEEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000420199450 559476330 /nfs/dbraw/zinc/47/63/30/559476330.db2.gz MHTPFKGUWWYWDL-NWDGAFQWSA-N 1 0 355.891 2.160 20 30 FEEDRO CC[NH+](CC)[C@H](CNC(=O)C(=O)NCC(C)(C)CC#N)c1ccccc1 ZINC000420857204 559507867 /nfs/dbraw/zinc/50/78/67/559507867.db2.gz HELBPRJWOQAXHL-QGZVFWFLSA-N 1 0 358.486 2.242 20 30 FEEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1C[C@H](C)C[C@H](CO)C1 ZINC000420950820 559513577 /nfs/dbraw/zinc/51/35/77/559513577.db2.gz WQPFRBODLDJKEH-IKGGRYGDSA-N 1 0 359.470 2.281 20 30 FEEDRO CC(C)(CC#N)CNC(=O)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000421006714 559519044 /nfs/dbraw/zinc/51/90/44/559519044.db2.gz BOWQSMCALVWKCM-UHFFFAOYSA-N 1 0 370.497 2.345 20 30 FEEDRO C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000421145607 559526589 /nfs/dbraw/zinc/52/65/89/559526589.db2.gz AKBHAFAEOXXCNA-SFHVURJKSA-N 1 0 355.482 2.033 20 30 FEEDRO CCOC(=O)c1c(NC(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)c(C#N)cn1CC ZINC000421165911 559528076 /nfs/dbraw/zinc/52/80/76/559528076.db2.gz OGPDZLCDISZBMC-GJZGRUSLSA-N 1 0 373.457 2.305 20 30 FEEDRO CCOC(=O)c1c(NC(=O)N[C@@H]2CCC[N@H+](C)[C@H]2C)c(C#N)cn1CC ZINC000421173672 559528734 /nfs/dbraw/zinc/52/87/34/559528734.db2.gz MCXSNBCQAZEFJQ-GXTWGEPZSA-N 1 0 361.446 2.161 20 30 FEEDRO CCOC(=O)c1c(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c(C#N)cn1CC ZINC000421176392 559528961 /nfs/dbraw/zinc/52/89/61/559528961.db2.gz RUNZSXCRAJGKLD-CABCVRRESA-N 1 0 373.457 2.257 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)CCCc2cccnc2)CC1 ZINC000422300534 559576807 /nfs/dbraw/zinc/57/68/07/559576807.db2.gz VIPKWIUYDJGSFO-KRWDZBQOSA-N 1 0 372.513 2.066 20 30 FEEDRO C=CCN(CCc1ccccc1)C(=O)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000422492079 559591876 /nfs/dbraw/zinc/59/18/76/559591876.db2.gz VCZPBHJAKWYEJR-IBGZPJMESA-N 1 0 357.498 2.092 20 30 FEEDRO C=CCNC(=O)Nc1ccc(NC(=O)c2cnn([C@H]3CCC[NH2+]C3)c2)cc1 ZINC000422955664 559612931 /nfs/dbraw/zinc/61/29/31/559612931.db2.gz MVIWNDKTCMCRGD-KRWDZBQOSA-N 1 0 368.441 2.367 20 30 FEEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000423016105 559615176 /nfs/dbraw/zinc/61/51/76/559615176.db2.gz AYRJIOIPPVHHMM-INIZCTEOSA-N 1 0 355.891 2.113 20 30 FEEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CCC(CC[NH2+]C)CC1 ZINC000423119061 559619937 /nfs/dbraw/zinc/61/99/37/559619937.db2.gz CZZLZECZNGWFTO-UHFFFAOYSA-N 1 0 370.497 2.145 20 30 FEEDRO C=CCOc1cc(OC)ccc1C(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000423945389 559647484 /nfs/dbraw/zinc/64/74/84/559647484.db2.gz GNSFIXCKYOXPMY-UHFFFAOYSA-N 1 0 373.497 2.206 20 30 FEEDRO Cc1ccc(CNC(=O)C2CCN(C(=O)[C@H]([NH3+])CCCC#N)CC2)cc1F ZINC000424087848 559654311 /nfs/dbraw/zinc/65/43/11/559654311.db2.gz GCYLPVQUCIEEMF-GOSISDBHSA-N 1 0 374.460 2.010 20 30 FEEDRO CC[C@@H](C(=O)N1CCC(NC(=O)[C@H]([NH3+])CCCC#N)CC1)c1ccccc1 ZINC000424109962 559654979 /nfs/dbraw/zinc/65/49/79/559654979.db2.gz BNZJVQBFLKDENQ-RTBURBONSA-N 1 0 370.497 2.309 20 30 FEEDRO Cc1c(NC(=O)[C@@H]([NH3+])CCCC#N)cccc1C(=O)N1CCSCC1 ZINC000424111405 559655166 /nfs/dbraw/zinc/65/51/66/559655166.db2.gz GJORTJDWJDURII-HNNXBMFYSA-N 1 0 360.483 2.144 20 30 FEEDRO Cc1cc(C(=O)N2CCSCC2)ccc1NC(=O)[C@H]([NH3+])CCCC#N ZINC000424114816 559655286 /nfs/dbraw/zinc/65/52/86/559655286.db2.gz SFIYQKGKTFXEFA-OAHLLOKOSA-N 1 0 360.483 2.144 20 30 FEEDRO C=CCn1c([C@@H]2CCCS2)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000424117627 559655390 /nfs/dbraw/zinc/65/53/90/559655390.db2.gz BOMCWPCURYNFNR-CVEARBPZSA-N 1 0 363.531 2.191 20 30 FEEDRO CCOC(=O)c1csc(C2CCN(C(=O)[C@H]([NH3+])CCCC#N)CC2)n1 ZINC000424183110 559656977 /nfs/dbraw/zinc/65/69/77/559656977.db2.gz BSQFVPLYZSNPSN-CYBMUJFWSA-N 1 0 364.471 2.047 20 30 FEEDRO CCOC(=O)c1csc([C@H]2CCCN2C(=O)[C@@H]([NH3+])CCCC#N)n1 ZINC000424186915 559657033 /nfs/dbraw/zinc/65/70/33/559657033.db2.gz JEWQEONMXBXIML-WCQYABFASA-N 1 0 350.444 2.004 20 30 FEEDRO C=CCCn1cc(C(=O)NCC2([NH+]3CCC(OC)CC3)CCCC2)nn1 ZINC000424664914 559673062 /nfs/dbraw/zinc/67/30/62/559673062.db2.gz POUGRHNGSDNBBK-UHFFFAOYSA-N 1 0 361.490 2.008 20 30 FEEDRO C[N@@H+]1C[C@@H]2CCCN(S(=O)(=O)c3ccc(C#N)cc3C(F)(F)F)[C@@H]2C1 ZINC000425214874 559691790 /nfs/dbraw/zinc/69/17/90/559691790.db2.gz KXMWLWMFZFQPOQ-GXTWGEPZSA-N 1 0 373.400 2.292 20 30 FEEDRO COC(=O)[C@@H](CC[NH+]1CCN(c2cccc(C#N)n2)CC1)c1ccccc1 ZINC000425430448 559702043 /nfs/dbraw/zinc/70/20/43/559702043.db2.gz FNVZWPPOUOYIAJ-IBGZPJMESA-N 1 0 364.449 2.422 20 30 FEEDRO C=CCn1cc(CNC(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)nn1 ZINC000425567398 559710144 /nfs/dbraw/zinc/71/01/44/559710144.db2.gz SJSXUDJXARFZRW-RHSMWYFYSA-N 1 0 374.514 2.408 20 30 FEEDRO C=CCn1cc(CNC(=O)Nc2ccc(C)cc2OCC[NH+](C)C)nn1 ZINC000425657691 559713506 /nfs/dbraw/zinc/71/35/06/559713506.db2.gz TUGZIKXQSPLMJZ-UHFFFAOYSA-N 1 0 358.446 2.035 20 30 FEEDRO C[C@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000425860751 559723120 /nfs/dbraw/zinc/72/31/20/559723120.db2.gz HPFWNSCJDARUJQ-MRXNPFEDSA-N 1 0 370.497 2.458 20 30 FEEDRO CC[NH+]1CCC(CCNC(=O)C(=O)N(C)[C@@H](C)c2cccc(C#N)c2)CC1 ZINC000425889211 559724121 /nfs/dbraw/zinc/72/41/21/559724121.db2.gz UTKNVTITIAPQRO-INIZCTEOSA-N 1 0 370.497 2.316 20 30 FEEDRO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000425896031 559724362 /nfs/dbraw/zinc/72/43/62/559724362.db2.gz WXBDTOUEHJRCKB-INIZCTEOSA-N 1 0 370.497 2.316 20 30 FEEDRO C=C[C@@H]1CCCCN1C(=O)C(=O)Nc1ccc(C)cc1OCC[NH+](C)C ZINC000427717100 559760919 /nfs/dbraw/zinc/76/09/19/559760919.db2.gz AFAREVDUADTEDL-MRXNPFEDSA-N 1 0 359.470 2.441 20 30 FEEDRO C[C@@H]([NH2+]C(C)(C)CNS(=O)(=O)c1cccnc1C#N)c1ccccc1 ZINC000428246130 559772266 /nfs/dbraw/zinc/77/22/66/559772266.db2.gz NLDPCBZXFLXDRL-CQSZACIVSA-N 1 0 358.467 2.361 20 30 FEEDRO COCCS(=O)(=O)c1ccc(C[NH2+]Cc2cc(C#N)cs2)cc1 ZINC000428539208 559777520 /nfs/dbraw/zinc/77/75/20/559777520.db2.gz PNLTTWAPJUUHEY-UHFFFAOYSA-N 1 0 350.465 2.330 20 30 FEEDRO CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc(C#N)s1 ZINC000428688718 559781261 /nfs/dbraw/zinc/78/12/61/559781261.db2.gz AKKWOGVHDHXXAG-LJQANCHMSA-N 1 0 355.463 2.329 20 30 FEEDRO C=C(C)[C@@H](CC(=O)N(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)OCC ZINC000428974347 559786953 /nfs/dbraw/zinc/78/69/53/559786953.db2.gz FGAAKKFVOVWHTM-CTNGQTDRSA-N 1 0 360.498 2.453 20 30 FEEDRO CC(C)C[C@@H]1C[N@H+](CCCc2ccccc2)CCN1CC(=O)NCC#N ZINC000429367786 559796990 /nfs/dbraw/zinc/79/69/90/559796990.db2.gz USPQSKXTDJBHEE-HXUWFJFHSA-N 1 0 356.514 2.291 20 30 FEEDRO C[NH+](C)CC(C)(C)CNS(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000432935544 559868156 /nfs/dbraw/zinc/86/81/56/559868156.db2.gz BILBWWCFCKCQJT-UHFFFAOYSA-N 1 0 374.304 2.187 20 30 FEEDRO CC(=O)N(C)C1CC[NH+](Cc2cn(CCC#N)nc2-c2ccncc2)CC1 ZINC000435127535 559916712 /nfs/dbraw/zinc/91/67/12/559916712.db2.gz COEQCOCUAIUGMZ-UHFFFAOYSA-N 1 0 366.469 2.301 20 30 FEEDRO Cc1ccc(CN(CC[NH+](C)C)S(=O)(=O)c2ccc(C#N)s2)o1 ZINC000435434519 559922922 /nfs/dbraw/zinc/92/29/22/559922922.db2.gz SNBWXKXIOINOEG-UHFFFAOYSA-N 1 0 353.469 2.274 20 30 FEEDRO C=CCOC[C@H](NC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1)C(=O)OC ZINC000435947976 559932889 /nfs/dbraw/zinc/93/28/89/559932889.db2.gz GVMRCTXIGFWDHJ-SFHVURJKSA-N 1 0 374.481 2.149 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000437985736 559972568 /nfs/dbraw/zinc/97/25/68/559972568.db2.gz MMRSKKWZFHAFHG-AEFFLSMTSA-N 1 0 353.507 2.110 20 30 FEEDRO CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1cc(C#N)ccc1OC ZINC000438205356 559975541 /nfs/dbraw/zinc/97/55/41/559975541.db2.gz AONVMDNYVDATFL-QGZVFWFLSA-N 1 0 373.501 2.447 20 30 FEEDRO CN(C(=O)C(=O)Nc1cccc(OCCCC#N)c1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000439583966 559997351 /nfs/dbraw/zinc/99/73/51/559997351.db2.gz AGUFXGAPXYDCRH-QGZVFWFLSA-N 1 0 370.453 2.003 20 30 FEEDRO C[C@@H](NC(=O)C(=O)Nc1ccc(C#N)cc1F)[C@H](c1ccccc1)[NH+](C)C ZINC000441716526 560038236 /nfs/dbraw/zinc/03/82/36/560038236.db2.gz ODCLPTKALARGCF-FZKQIMNGSA-N 1 0 368.412 2.443 20 30 FEEDRO C[C@@H](C#N)CN(C(=O)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1)C1CC1 ZINC000441892257 560040579 /nfs/dbraw/zinc/04/05/79/560040579.db2.gz AYVRGLBMDXMOQC-INIZCTEOSA-N 1 0 368.481 2.414 20 30 FEEDRO C[NH+](C)CCc1ccc(NC(=O)C(=O)NCc2cc(C#N)ccc2F)cc1 ZINC000442328766 560049366 /nfs/dbraw/zinc/04/93/66/560049366.db2.gz BQEUUSPXZGHFAD-UHFFFAOYSA-N 1 0 368.412 2.056 20 30 FEEDRO C[NH+](C)CCOc1ccc(CCNS(=O)(=O)c2ccccc2C#N)cc1 ZINC000443063775 560068664 /nfs/dbraw/zinc/06/86/64/560068664.db2.gz FDJHDMXCIZCXKA-UHFFFAOYSA-N 1 0 373.478 2.020 20 30 FEEDRO N#Cc1ncccc1S(=O)(=O)NCC[NH+]1CCC2(CCCCC2)CC1 ZINC000443092587 560070295 /nfs/dbraw/zinc/07/02/95/560070295.db2.gz HBDTZMZWZVEODU-UHFFFAOYSA-N 1 0 362.499 2.278 20 30 FEEDRO C[C@H]1C[C@@H](NS(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)CC[N@@H+]1C ZINC000443239196 560076038 /nfs/dbraw/zinc/07/60/38/560076038.db2.gz HKLYADHHOZZTHT-GWCFXTLKSA-N 1 0 361.389 2.338 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1cc2c(cc1F)CCC(=O)N2 ZINC000444383231 560112702 /nfs/dbraw/zinc/11/27/02/560112702.db2.gz NYJFWZCWBQQZQQ-UHFFFAOYSA-N 1 0 361.421 2.410 20 30 FEEDRO CCC[C@@]1(C(=O)OCC)CCC[N@@H+]1C[C@@H](O)COc1ccc(C#N)cc1 ZINC000444777936 560120675 /nfs/dbraw/zinc/12/06/75/560120675.db2.gz UGSUFKKEHHWQEE-XLIONFOSSA-N 1 0 360.454 2.496 20 30 FEEDRO CCOC(=O)c1n[nH]c(C2CCN(Cc3cccc(C#N)c3F)CC2)n1 ZINC000444813399 560121678 /nfs/dbraw/zinc/12/16/78/560121678.db2.gz BIYAQIHOGULBDP-UHFFFAOYSA-N 1 0 357.389 2.372 20 30 FEEDRO C[NH+](C)C1(CNS(=O)(=O)c2cc(Br)cc(C#N)c2)CCC1 ZINC000445730038 560134322 /nfs/dbraw/zinc/13/43/22/560134322.db2.gz CDZZPQNYZMZECN-UHFFFAOYSA-N 1 0 372.288 2.083 20 30 FEEDRO Cc1cc(NC(=O)Nc2ccc(C)cc2OCC[NH+](C)C)nn1CCC#N ZINC000446193175 560141517 /nfs/dbraw/zinc/14/15/17/560141517.db2.gz SZKOCMAPRSYGKS-UHFFFAOYSA-N 1 0 370.457 2.998 20 30 FEEDRO C[C@@H](CC[NH+](C)C)NC(=O)NC1CCC(Oc2ncccc2C#N)CC1 ZINC000446510040 560146922 /nfs/dbraw/zinc/14/69/22/560146922.db2.gz GXRZGAIZADULAM-OOHWJJMZSA-N 1 0 359.474 2.283 20 30 FEEDRO CC1CC[NH+](C[C@H](O)CNC(=O)c2cc(-c3cccc(C#N)c3)no2)CC1 ZINC000447556128 560164520 /nfs/dbraw/zinc/16/45/20/560164520.db2.gz FCBKQBFJXNYQPW-QGZVFWFLSA-N 1 0 368.437 2.036 20 30 FEEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)C[NH2+][C@H](CO)[C@H]2CCCO2)c1C#N ZINC000447915634 560172916 /nfs/dbraw/zinc/17/29/16/560172916.db2.gz SDDXDNMMPGRAPU-QZTJIDSGSA-N 1 0 374.485 2.160 20 30 FEEDRO CC[NH+](CC)CCNC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 ZINC000448554284 560189868 /nfs/dbraw/zinc/18/98/68/560189868.db2.gz GKYJXCCPPZVWHS-CQSZACIVSA-N 1 0 362.861 2.023 20 30 FEEDRO C[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 ZINC000448885522 560204965 /nfs/dbraw/zinc/20/49/65/560204965.db2.gz XARLXQBQRDSSFY-GOEBONIOSA-N 1 0 374.872 2.117 20 30 FEEDRO CC1(C#N)CCC([NH2+]CCOc2ccc(NS(C)(=O)=O)cc2)CC1 ZINC000449250366 560221794 /nfs/dbraw/zinc/22/17/94/560221794.db2.gz LLTINBFAOOSAMI-UHFFFAOYSA-N 1 0 351.472 2.499 20 30 FEEDRO N#CCCCOc1cccc(CN2CC[NH+]([C@@H]3CCNC(=O)CC3)CC2)c1 ZINC000449692143 560237133 /nfs/dbraw/zinc/23/71/33/560237133.db2.gz AJZNIHCRGMPBLP-IBGZPJMESA-N 1 0 370.497 2.155 20 30 FEEDRO CC[N@@H+]1CC[C@H](CNC(=O)COc2cccc(Br)c2C#N)C1 ZINC000449790462 560240122 /nfs/dbraw/zinc/24/01/22/560240122.db2.gz LTZMUOAPPIZQLM-GFCCVEGCSA-N 1 0 366.259 2.158 20 30 FEEDRO C[NH+](C)C[C@@H]1CCCN1C(=O)COc1cccc(Br)c1C#N ZINC000449828914 560241665 /nfs/dbraw/zinc/24/16/65/560241665.db2.gz QREKKAOFGTWHJN-LBPRGKRZSA-N 1 0 366.259 2.252 20 30 FEEDRO CN(CC[NH+]1CCCC1)C(=O)COc1ccc(C#N)c(Br)c1 ZINC000449841041 560242174 /nfs/dbraw/zinc/24/21/74/560242174.db2.gz TWMDPIKRKGAFIG-UHFFFAOYSA-N 1 0 366.259 2.254 20 30 FEEDRO C[C@@H](CC[NH+](C)C)NC(=O)COc1cccc(Br)c1C#N ZINC000449887114 560244233 /nfs/dbraw/zinc/24/42/33/560244233.db2.gz IZULLHJRWLGEFE-NSHDSACASA-N 1 0 354.248 2.156 20 30 FEEDRO Cn1c(C#N)ccc1C(=O)NC1CC[NH+](CCOc2ccc(F)cc2)CC1 ZINC000449901890 560244755 /nfs/dbraw/zinc/24/47/55/560244755.db2.gz NSEIDYYGACCOIT-UHFFFAOYSA-N 1 0 370.428 2.309 20 30 FEEDRO CCO[C@H](CC[NH+](C)C)CNC(=O)c1cccc(C#N)c1Br ZINC000450080943 560250184 /nfs/dbraw/zinc/25/01/84/560250184.db2.gz HXMOWADXKJUIAV-CYBMUJFWSA-N 1 0 368.275 2.407 20 30 FEEDRO C[C@@H]1C[N@@H+](C2CCN(c3ncc(Br)cc3C#N)CC2)CCO1 ZINC000450262845 560256296 /nfs/dbraw/zinc/25/62/96/560256296.db2.gz UYVUVOKDTIFHFZ-GFCCVEGCSA-N 1 0 365.275 2.405 20 30 FEEDRO C[C@@H]1C[N@@H+](CCCCNc2ncc(Br)cc2C#N)C[C@H](C)O1 ZINC000450374412 560260433 /nfs/dbraw/zinc/26/04/33/560260433.db2.gz FJYRQJPGXVWHND-BETUJISGSA-N 1 0 367.291 3.017 20 30 FEEDRO C[C@@H]1[C@H](C)N(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC[N@H+]1C ZINC000450372879 560260459 /nfs/dbraw/zinc/26/04/59/560260459.db2.gz BBMQUBXHRKQDPJ-IPYPFGDCSA-N 1 0 374.872 2.116 20 30 FEEDRO C[N@H+]1CC=C(CNC(=O)COc2ccc(C#N)c(Br)c2)CC1 ZINC000450419146 560261776 /nfs/dbraw/zinc/26/17/76/560261776.db2.gz NWRLVWIQWJWODK-UHFFFAOYSA-N 1 0 364.243 2.078 20 30 FEEDRO N#Cc1cnc2c(F)c(F)c(F)cc2c1NC[C@@H]1CCC[N@H+]1CCCO ZINC000450599186 560267492 /nfs/dbraw/zinc/26/74/92/560267492.db2.gz RXBSXYMMMQDUEC-LBPRGKRZSA-N 1 0 364.371 2.204 20 30 FEEDRO C[C@H](c1ccccc1)[C@H](O)CN1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000450615933 560268007 /nfs/dbraw/zinc/26/80/07/560268007.db2.gz QDGIKWNMMUDTAH-MBVXMONXSA-N 1 0 361.445 2.496 20 30 FEEDRO N#CCc1ccc(S(=O)(=O)NC2CC[NH+](C3CC3)CC2)c(Cl)c1 ZINC000451010605 560282134 /nfs/dbraw/zinc/28/21/34/560282134.db2.gz QDHPZSJQPAULQW-UHFFFAOYSA-N 1 0 353.875 2.311 20 30 FEEDRO C[NH+](C)C1(CNC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CCC1 ZINC000451011939 560282408 /nfs/dbraw/zinc/28/24/08/560282408.db2.gz YJCVOGGYTHXCHT-AWEZNQCLSA-N 1 0 374.872 2.165 20 30 FEEDRO C=CCc1ccccc1OC[C@@H](O)C[NH2+][C@](C)(CO)c1cccc(O)c1 ZINC000451039968 560284101 /nfs/dbraw/zinc/28/41/01/560284101.db2.gz QKANHJBZEISGKL-PZJWPPBQSA-N 1 0 357.450 2.358 20 30 FEEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+](C)[C@@H](C)C(C)(C)O ZINC000451356463 560302409 /nfs/dbraw/zinc/30/24/09/560302409.db2.gz ASYFAIXPCKAIKZ-HNNXBMFYSA-N 1 0 364.490 2.043 20 30 FEEDRO N#CCCN(CCC#N)C(=O)C[NH2+]C1(Cc2ccccc2)CCOCC1 ZINC000451935352 560339023 /nfs/dbraw/zinc/33/90/23/560339023.db2.gz DZZOYJXLNCKKSU-UHFFFAOYSA-N 1 0 354.454 2.024 20 30 FEEDRO CCO[C@@H]1COC[C@H]1[NH2+][C@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000451941200 560339634 /nfs/dbraw/zinc/33/96/34/560339634.db2.gz XGGDTEGCQNLVAO-BHIYHBOVSA-N 1 0 359.470 2.332 20 30 FEEDRO CC[NH+](CC)CCCNC(=O)C(=O)Nc1ccc(CC#N)cc1Cl ZINC000453568172 560388978 /nfs/dbraw/zinc/38/89/78/560388978.db2.gz WUHPJWXGAXHILP-UHFFFAOYSA-N 1 0 350.850 2.193 20 30 FEEDRO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1cccc(CC#N)c1)c1cccs1 ZINC000453583593 560389658 /nfs/dbraw/zinc/38/96/58/560389658.db2.gz VCIBPKOIGCUIDD-HNNXBMFYSA-N 1 0 356.451 2.172 20 30 FEEDRO Cc1cc(C#N)cc(NC(=O)C(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)c1 ZINC000453589060 560389958 /nfs/dbraw/zinc/38/99/58/560389958.db2.gz FEECXRIYBYUBCI-OAHLLOKOSA-N 1 0 356.470 2.434 20 30 FEEDRO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1cccc(CC#N)c1)C1CCCCC1 ZINC000453598869 560390381 /nfs/dbraw/zinc/39/03/81/560390381.db2.gz MNVLUALAZOFHFH-SFHVURJKSA-N 1 0 356.470 2.318 20 30 FEEDRO CC(C)[N@@H+]1CCCN(C(=O)C(=O)Nc2ccc(CC#N)cc2Cl)CC1 ZINC000453643001 560392812 /nfs/dbraw/zinc/39/28/12/560392812.db2.gz XISDQHWFHYUBMK-UHFFFAOYSA-N 1 0 362.861 2.287 20 30 FEEDRO C[NH+](C)CC(C)(C)CNC(=O)C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 ZINC000453644729 560392924 /nfs/dbraw/zinc/39/29/24/560392924.db2.gz NIRNPNPVYDIKFP-UHFFFAOYSA-N 1 0 374.485 2.378 20 30 FEEDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)Nc3ccc(CC#N)cc3Cl)CC[C@H]21 ZINC000453670691 560395351 /nfs/dbraw/zinc/39/53/51/560395351.db2.gz JLKRTNMRDUKIKY-RHSMWYFYSA-N 1 0 374.872 2.287 20 30 FEEDRO Cc1cc(C#N)cc(NC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000453674460 560395684 /nfs/dbraw/zinc/39/56/84/560395684.db2.gz RGLQQGWICVTMLM-VQIMIIECSA-N 1 0 366.465 2.281 20 30 FEEDRO C=CC(C)(C)CNC(=O)C(=O)Nc1ccc(CN2CC[NH+](CC)CC2)cc1 ZINC000453877861 560410137 /nfs/dbraw/zinc/41/01/37/560410137.db2.gz GCDWFJIVJZYGSU-UHFFFAOYSA-N 1 0 372.513 2.091 20 30 FEEDRO C=C(CC)CNC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000454041453 560424174 /nfs/dbraw/zinc/42/41/74/560424174.db2.gz YDDJRFBIKBSJBZ-UHFFFAOYSA-N 1 0 353.850 2.301 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1NC(=O)NCCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000454322970 560439891 /nfs/dbraw/zinc/43/98/91/560439891.db2.gz LVXISZLICMBSTA-UXHICEINSA-N 1 0 372.513 2.150 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1NC(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000454363288 560441802 /nfs/dbraw/zinc/44/18/02/560441802.db2.gz NVCNPWPUFQKHDD-UXHICEINSA-N 1 0 372.513 2.232 20 30 FEEDRO C=C[C@H](C)NC(=O)NCC1([NH+]2CCN(c3ccccc3)CC2)CCOCC1 ZINC000454653350 560453145 /nfs/dbraw/zinc/45/31/45/560453145.db2.gz BEZFQJAVXPEQKB-SFHVURJKSA-N 1 0 372.513 2.232 20 30 FEEDRO C=CC(C)(C)CNC(=O)N1CCC[C@@H](C[N@H+]2CCCN(C(C)=O)CC2)C1 ZINC000455391347 560480493 /nfs/dbraw/zinc/48/04/93/560480493.db2.gz XAJYHLBBYKRVKS-SFHVURJKSA-N 1 0 364.534 2.174 20 30 FEEDRO N#Cc1ncc(NC(=O)N2CC[NH+](CC3CCOCC3)CC2)cc1Cl ZINC000455797991 560495042 /nfs/dbraw/zinc/49/50/42/560495042.db2.gz WDBLWJKXZFYCBG-UHFFFAOYSA-N 1 0 363.849 2.183 20 30 FEEDRO C[C@H](O)C[N@H+](C)C1CCN(C(=O)C(C)(C)Cc2ccc(C#N)cc2)CC1 ZINC000456022984 560504929 /nfs/dbraw/zinc/50/49/29/560504929.db2.gz NWYVNECXHICFJH-INIZCTEOSA-N 1 0 357.498 2.431 20 30 FEEDRO C=CCNS(=O)(=O)c1ccc(C(=O)NC(C)(C)CCC[NH+](C)C)cc1 ZINC000456211328 560511374 /nfs/dbraw/zinc/51/13/74/560511374.db2.gz XYBORURUGNMTHN-UHFFFAOYSA-N 1 0 367.515 2.001 20 30 FEEDRO CC[C@@H](C)[NH+]1CCN(C(=O)[C@@H]2CCCN(c3nc(C)ccc3C#N)C2)CC1 ZINC000456524100 560523210 /nfs/dbraw/zinc/52/32/10/560523210.db2.gz GGCMJCSHIVNSSS-IEBWSBKVSA-N 1 0 369.513 2.421 20 30 FEEDRO CCOC(=O)CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)c1cc(C)c(C#N)cn1 ZINC000457492124 560570294 /nfs/dbraw/zinc/57/02/94/560570294.db2.gz SZPMDAGHNRHBAA-QGZVFWFLSA-N 1 0 372.469 2.141 20 30 FEEDRO C=C(C)[C@H]1OCCC[C@H]1C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000457511766 560571666 /nfs/dbraw/zinc/57/16/66/560571666.db2.gz MUUZKSZZJZGOLO-CRAIPNDOSA-N 1 0 373.453 2.466 20 30 FEEDRO Cc1cc(C(=O)Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)cn2)ncc1C#N ZINC000457655543 560580138 /nfs/dbraw/zinc/58/01/38/560580138.db2.gz COWGHLRSCQDMNZ-MRXNPFEDSA-N 1 0 350.426 2.049 20 30 FEEDRO CC#CCN(C)C(=O)NCCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000457877168 560591708 /nfs/dbraw/zinc/59/17/08/560591708.db2.gz UWIMALHBVFFSES-UHFFFAOYSA-N 1 0 356.514 2.249 20 30 FEEDRO C=CCC[C@H](CO)NC(=O)NCC1([NH+]2CCC(OC)CC2)CCCC1 ZINC000458363661 560617164 /nfs/dbraw/zinc/61/71/64/560617164.db2.gz SCZXUFXGQUXCIS-MRXNPFEDSA-N 1 0 353.507 2.036 20 30 FEEDRO C=CCC[C@H](CO)NC(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000458389382 560619526 /nfs/dbraw/zinc/61/95/26/560619526.db2.gz QAEPKXXJIRCRGW-MRXNPFEDSA-N 1 0 355.548 2.364 20 30 FEEDRO CC(C)(CC#N)CNC(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000459262389 560676702 /nfs/dbraw/zinc/67/67/02/560676702.db2.gz UZANOTXZTOKIAD-UHFFFAOYSA-N 1 0 350.507 2.460 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000459861138 560714422 /nfs/dbraw/zinc/71/44/22/560714422.db2.gz CDJPNVMDDFWAHR-UHFFFAOYSA-N 1 0 361.511 2.350 20 30 FEEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N1CC[C@H]([NH+](CC)CC)C1 ZINC000460030436 560730352 /nfs/dbraw/zinc/73/03/52/560730352.db2.gz LSBKSJZVIKBYCE-SFHVURJKSA-N 1 0 373.497 2.153 20 30 FEEDRO C=C(C)Cn1c(CCCC)nnc1N1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000460800319 560752196 /nfs/dbraw/zinc/75/21/96/560752196.db2.gz RTCMHKQAUYLYAD-SFHVURJKSA-N 1 0 360.550 2.413 20 30 FEEDRO Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)c1cccc(C[NH+](C)C)c1 ZINC000461743099 560781355 /nfs/dbraw/zinc/78/13/55/560781355.db2.gz QSFCDZLJQVGEQX-UHFFFAOYSA-N 1 0 360.421 2.761 20 30 FEEDRO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 ZINC000462016460 560792651 /nfs/dbraw/zinc/79/26/51/560792651.db2.gz STXJYWSHHXGXTH-HKUYNNGSSA-N 1 0 357.502 2.135 20 30 FEEDRO COC(=O)C[C@]1([NH2+]CC#Cc2ccc(OC(F)(F)F)cc2)CCOC1 ZINC000464593739 560846243 /nfs/dbraw/zinc/84/62/43/560846243.db2.gz NUTMGNFROYBEPV-MRXNPFEDSA-N 1 0 357.328 2.249 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCC[C@]2(CNC(=O)C2)C1 ZINC000464803453 560851939 /nfs/dbraw/zinc/85/19/39/560851939.db2.gz YMMMDAOSWPSXHW-KXBFYZLASA-N 1 0 361.511 2.253 20 30 FEEDRO C[C@@H]1C[C@@H](NC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)CC[N@@H+]1C ZINC000465874273 560874567 /nfs/dbraw/zinc/87/45/67/560874567.db2.gz MNYQLFGNTALBDH-PVAVHDDUSA-N 1 0 373.476 2.448 20 30 FEEDRO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000466917241 560899101 /nfs/dbraw/zinc/89/91/01/560899101.db2.gz APZXKZLHPIASCY-YLJYHZDGSA-N 1 0 364.534 2.006 20 30 FEEDRO N#CCNC(=O)C[N@@H+](Cc1cccc(Br)c1)C1CCOCC1 ZINC000467300682 560908156 /nfs/dbraw/zinc/90/81/56/560908156.db2.gz GFWONUWICCRBOJ-UHFFFAOYSA-N 1 0 366.259 2.070 20 30 FEEDRO CC[NH+]1CCN(CC(=O)N[C@H](C#N)c2c(Cl)cccc2Cl)CC1 ZINC000469350784 560953072 /nfs/dbraw/zinc/95/30/72/560953072.db2.gz MALGPSPPWQEREG-CQSZACIVSA-N 1 0 355.269 2.312 20 30 FEEDRO C[C@H](C#N)C(=O)NCc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1 ZINC000469720285 560962683 /nfs/dbraw/zinc/96/26/83/560962683.db2.gz LRZHQGZVIYKWLX-GFCCVEGCSA-N 1 0 354.376 2.233 20 30 FEEDRO Cn1nccc1CN1C[C@@H](F)C[C@H]1C[N@H+](C)Cc1cccc(C#N)c1F ZINC000470815870 560990514 /nfs/dbraw/zinc/99/05/14/560990514.db2.gz LEEVTLLHWPFMRQ-WMZOPIPTSA-N 1 0 359.424 2.475 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)NCCOc2ccc(C(F)(F)F)cn2)CC1 ZINC000472293354 561023494 /nfs/dbraw/zinc/02/34/94/561023494.db2.gz GJXSDYWPBWBRRH-UHFFFAOYSA-N 1 0 372.391 2.429 20 30 FEEDRO N#CCCn1cc(C(=O)C[N@H+]2CCCC[C@@H]2CC(N)=O)c2ccccc21 ZINC000472431181 561026294 /nfs/dbraw/zinc/02/62/94/561026294.db2.gz LWTBMZOZCSVVOZ-OAHLLOKOSA-N 1 0 352.438 2.468 20 30 FEEDRO CC(C)[C@H](CNC(=O)c1cnn(C)c1C#N)[N@@H+]1CCc2ccccc2C1 ZINC000474779441 561082742 /nfs/dbraw/zinc/08/27/42/561082742.db2.gz GWVPJTDAZQFDQF-IBGZPJMESA-N 1 0 351.454 2.104 20 30 FEEDRO C=CCCC1(C(=O)N2CCO[C@H](CN(C)CC(=O)OC(C)(C)C)C2)CC1 ZINC000477144675 561137858 /nfs/dbraw/zinc/13/78/58/561137858.db2.gz OLONURDCXCUAKW-MRXNPFEDSA-N 1 0 366.502 2.234 20 30 FEEDRO CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](C[C@H](O)COc2ccccc2C#N)C1 ZINC000528366808 562325189 /nfs/dbraw/zinc/32/51/89/562325189.db2.gz PSKBGDXCWCJYBE-WDSOQIARSA-N 1 0 373.497 2.315 20 30 FEEDRO N#Cc1ccccc1OC[C@H](O)C[NH+]1CCC(OC[C@H]2CCCCO2)CC1 ZINC000528399554 562326891 /nfs/dbraw/zinc/32/68/91/562326891.db2.gz WQVNURGYUATFEN-UYAOXDASSA-N 1 0 374.481 2.348 20 30 FEEDRO CN(C[C@@H](O)COc1ccccc1C#N)[C@@H]1CCN(c2ccccc2)C1=O ZINC000528414340 562327871 /nfs/dbraw/zinc/32/78/71/562327871.db2.gz ADRZIEJLUYYKNQ-RTBURBONSA-N 1 0 365.433 2.035 20 30 FEEDRO O=C1c2ccccc2C(=O)N1CC#CC[N@@H+]1CC[C@H](C2CCOCC2)C1 ZINC000528429358 562328913 /nfs/dbraw/zinc/32/89/13/562328913.db2.gz VAZIWAWPIFJJOB-KRWDZBQOSA-N 1 0 352.434 2.035 20 30 FEEDRO Cc1noc(C)c1CO[C@@H]1CC[N@H+](C[C@@H](O)COc2ccccc2C#N)C1 ZINC000528447036 562329852 /nfs/dbraw/zinc/32/98/52/562329852.db2.gz CNAVDMBEZVVXHT-QZTJIDSGSA-N 1 0 371.437 2.194 20 30 FEEDRO CC(C)C[C@]1(CO)CCC[N@@H+]1CC#CCN1C(=O)c2ccccc2C1=O ZINC000528469882 562330835 /nfs/dbraw/zinc/33/08/35/562330835.db2.gz CJGCQQVLOCKPDF-NRFANRHFSA-N 1 0 354.450 2.159 20 30 FEEDRO C[N@@H+]1CCN(CC#CCN2C(=O)c3ccccc3C2=O)CC12CCCCC2 ZINC000528515969 562333402 /nfs/dbraw/zinc/33/34/02/562333402.db2.gz IEJZYURBAGTXAF-UHFFFAOYSA-N 1 0 365.477 2.236 20 30 FEEDRO N#Cc1cccc(Oc2ccc(NC(=O)NC[C@@H]3COCC[NH2+]3)cc2)c1 ZINC000528681537 562341516 /nfs/dbraw/zinc/34/15/16/562341516.db2.gz OSRULWKCVCPJMI-MRXNPFEDSA-N 1 0 352.394 2.460 20 30 FEEDRO C[C@@H](C(=O)Nc1ccccc1C#N)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000528729700 562344512 /nfs/dbraw/zinc/34/45/12/562344512.db2.gz ITSKJQIKKLLYNF-INIZCTEOSA-N 1 0 356.470 2.072 20 30 FEEDRO CC(=O)N1CC[C@@H]([NH2+]C[C@@H](O)COc2ccccc2C#N)c2ccccc21 ZINC000530233607 562403214 /nfs/dbraw/zinc/40/32/14/562403214.db2.gz YNHXIEGZZKXVFA-IEBWSBKVSA-N 1 0 365.433 2.385 20 30 FEEDRO N#Cc1ccccc1OC[C@H](O)C[NH2+][C@@H]1CCN(c2ccc(F)cc2)C1 ZINC000530233032 562403311 /nfs/dbraw/zinc/40/33/11/562403311.db2.gz OBGHMTSLQAWAMZ-IEBWSBKVSA-N 1 0 355.413 2.306 20 30 FEEDRO Cc1nc(C#N)c(N2CCC(C(=O)NCC[N@H+]3[C@H](C)CCC[C@@H]3C)CC2)o1 ZINC000530283407 562405391 /nfs/dbraw/zinc/40/53/91/562405391.db2.gz RJLWAMOSNQHUPL-GASCZTMLSA-N 1 0 373.501 2.450 20 30 FEEDRO Cc1nc(C#N)c(N2CCC(C(=O)NCC[NH+]3[C@@H](C)CCC[C@@H]3C)CC2)o1 ZINC000530283411 562405418 /nfs/dbraw/zinc/40/54/18/562405418.db2.gz RJLWAMOSNQHUPL-GJZGRUSLSA-N 1 0 373.501 2.450 20 30 FEEDRO CCN(CCC[NH+](CC)CC)C(=O)C(=O)Nc1ccc(C#N)cc1OC ZINC000530410691 562410047 /nfs/dbraw/zinc/41/00/47/562410047.db2.gz RNZKSRCASMYCKN-UHFFFAOYSA-N 1 0 360.458 2.086 20 30 FEEDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)C1 ZINC000531246183 562439406 /nfs/dbraw/zinc/43/94/06/562439406.db2.gz KCIKTGRAKAXOTJ-KRWDZBQOSA-N 1 0 373.476 2.259 20 30 FEEDRO CC1CC(C#N)(C(=O)N2CCN(CC[N@H+](C)Cc3ccccc3)CC2)C1 ZINC000531817471 562457661 /nfs/dbraw/zinc/45/76/61/562457661.db2.gz LNXGTAIUFVAZRL-UHFFFAOYSA-N 1 0 354.498 2.202 20 30 FEEDRO CN(C(=O)c1cc(C#N)c[nH]1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000534359262 562532695 /nfs/dbraw/zinc/53/26/95/562532695.db2.gz HCBQSBPDICDUDK-RTBURBONSA-N 1 0 357.502 2.296 20 30 FEEDRO COc1cc(C#N)ccc1NC(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000546005638 562632541 /nfs/dbraw/zinc/63/25/41/562632541.db2.gz SVMJJQDDWGKQHL-QAPCUYQASA-N 1 0 371.485 2.057 20 30 FEEDRO COc1cc(C#N)ccc1NC(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000546005639 562632621 /nfs/dbraw/zinc/63/26/21/562632621.db2.gz SVMJJQDDWGKQHL-YJBOKZPZSA-N 1 0 371.485 2.057 20 30 FEEDRO Cc1cc(NC(=O)C(=O)N(C)[C@@H]2CCC[C@@H]2C#N)ccc1OCC[NH+](C)C ZINC000602061721 567922725 /nfs/dbraw/zinc/92/27/25/567922725.db2.gz GSSJUKQFSQLIRH-NVXWUHKLSA-N 1 0 372.469 2.025 20 30 FEEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccc(N2CCO[C@H](C)C2)nc1 ZINC000602514919 567989762 /nfs/dbraw/zinc/98/97/62/567989762.db2.gz MUTCUPBSFRNXJX-DLBZAZTESA-N 1 0 358.486 2.495 20 30 FEEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]CC(=O)N1CCN(c2ccccc2)CC1 ZINC000602532546 567991883 /nfs/dbraw/zinc/99/18/83/567991883.db2.gz VNWZDPZYTPKRGR-GOSISDBHSA-N 1 0 370.497 2.024 20 30 FEEDRO CN(C[C@@H](O)COc1cc(Cl)cc(Cl)c1)C(=O)[C@H]([NH3+])CCCC#N ZINC000602580642 567993656 /nfs/dbraw/zinc/99/36/56/567993656.db2.gz XZUICPGZSNAMBJ-UKRRQHHQSA-N 1 0 374.268 2.213 20 30 FEEDRO C[C@@H]1C[NH+](C[C@@H](O)COCc2ccccc2Cl)C[C@@H](C)N1CC#N ZINC000602858177 568002902 /nfs/dbraw/zinc/00/29/02/568002902.db2.gz ZVDSSMHJDPZLQS-BFYDXBDKSA-N 1 0 351.878 2.136 20 30 FEEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000602723822 568023394 /nfs/dbraw/zinc/02/33/94/568023394.db2.gz JGIGKRPWVAKURY-AWEZNQCLSA-N 1 0 359.426 2.085 20 30 FEEDRO CC(C)C[NH+]1CCC(NC(=O)N[C@H]2CCOC3(CCOCC3)C2)CC1 ZINC000330272775 568064715 /nfs/dbraw/zinc/06/47/15/568064715.db2.gz YCXKXPFVVVEPSG-KRWDZBQOSA-N 1 0 353.507 2.339 20 30 FEEDRO C[C@H]([NH3+])[C@H]1CCN(C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)C1 ZINC000568609521 568089558 /nfs/dbraw/zinc/08/95/58/568089558.db2.gz ANMDBCCRVBYPMY-OBTMHIKCSA-N 1 0 357.458 2.022 20 30 FEEDRO CCOc1ccc(N(CCC#N)C(=O)CN2CCC([NH+](C)C)CC2)cc1 ZINC000603846915 568162655 /nfs/dbraw/zinc/16/26/55/568162655.db2.gz GQZXCQUJGLCSIV-UHFFFAOYSA-N 1 0 358.486 2.358 20 30 FEEDRO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCC(C(N)=O)(c2ccccc2)CC1 ZINC000604392385 568282717 /nfs/dbraw/zinc/28/27/17/568282717.db2.gz UNCNQFWYLQCNGF-QGZVFWFLSA-N 1 0 355.482 2.095 20 30 FEEDRO C[C@@H](CNC(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1)[NH+]1CCC(C)CC1 ZINC000569060579 568295625 /nfs/dbraw/zinc/29/56/25/568295625.db2.gz OAKKSPMVTRECGR-FUHWJXTLSA-N 1 0 371.485 2.236 20 30 FEEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)NCC(C)(C)N1CC[NH+](C)CC1 ZINC000604487873 568302613 /nfs/dbraw/zinc/30/26/13/568302613.db2.gz PUPQDPWCZLHQSA-UHFFFAOYSA-N 1 0 369.513 2.282 20 30 FEEDRO Cc1nc(SCC(=O)N[C@@H](CC[NH3+])C(F)(F)F)c(C#N)c(C)c1C ZINC000569374600 568395173 /nfs/dbraw/zinc/39/51/73/568395173.db2.gz ZNBBVMCEUBUSOB-LBPRGKRZSA-N 1 0 360.405 2.367 20 30 FEEDRO C[C@@H](Cc1c[nH]cn1)C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000569353355 568395792 /nfs/dbraw/zinc/39/57/92/568395792.db2.gz QBHKPFRPMNVPPE-KTAKPFMOSA-N 1 0 353.426 2.361 20 30 FEEDRO COc1ccc([C@H](OC)[C@H](C)[NH2+]Cc2cnc3c(C#N)cnn3c2)cc1 ZINC000569927966 568437689 /nfs/dbraw/zinc/43/76/89/568437689.db2.gz RZNSKVKJQQXPCE-SCLBCKFNSA-N 1 0 351.410 2.475 20 30 FEEDRO N#Cc1ccccc1NC(=O)CC[N@@H+]1CCC[C@H](N2CCCC2=O)CC1 ZINC000570612436 568491050 /nfs/dbraw/zinc/49/10/50/568491050.db2.gz IBJVGLSOBDAWFK-KRWDZBQOSA-N 1 0 354.454 2.364 20 30 FEEDRO C[C@H](c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000736197702 599311327 /nfs/dbraw/zinc/31/13/27/599311327.db2.gz NXSGPVIEWUHAQQ-CQSZACIVSA-N 1 0 360.425 2.017 20 30 FEEDRO C[C@@H]([NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1)C(=O)NC1(C#N)CCCCC1 ZINC000820413292 599389377 /nfs/dbraw/zinc/38/93/77/599389377.db2.gz PMNGLMNMYYUGRX-UONOGXRCSA-N 1 0 367.457 2.248 20 30 FEEDRO N#Cc1cccc([C@@H](C(=O)[O-])[NH+]2CCC(CC[NH+]3CCOCC3)CC2)c1 ZINC000833074512 601313213 /nfs/dbraw/zinc/31/32/13/601313213.db2.gz ZLKHLGBWCRNCBX-IBGZPJMESA-N 1 0 357.454 2.118 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2ccnc(C(F)(F)F)c2)c1C#N ZINC000809579865 674498930 /nfs/dbraw/zinc/49/89/30/674498930.db2.gz HFJDDFVQRYPTLS-UHFFFAOYSA-N 1 0 352.320 2.099 20 30 FEEDRO C[C@@H]([NH2+]CC(=O)Nc1sccc1-c1nn[nH]n1)c1ccc(C#N)cc1 ZINC000824562789 608465213 /nfs/dbraw/zinc/46/52/13/608465213.db2.gz IMKZXOLRRHQPRN-SNVBAGLBSA-N 1 0 353.411 2.089 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCCc2cc(S(N)(=O)=O)ccc21 ZINC000559841936 674558087 /nfs/dbraw/zinc/55/80/87/674558087.db2.gz KAIWGVUIIUUQGA-QGTPRVQTSA-N 1 0 350.484 2.282 20 30 FEEDRO CC1(C#N)CN(CC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)C1 ZINC000560465778 674590380 /nfs/dbraw/zinc/59/03/80/674590380.db2.gz SXWJDGBXGGJFLN-KRWDZBQOSA-N 1 0 360.889 2.439 20 30 FEEDRO CN(CCC#N)C[C@H](O)C[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000560870723 674622913 /nfs/dbraw/zinc/62/29/13/674622913.db2.gz MPHALMYEMFCKGK-LJQANCHMSA-N 1 0 364.921 2.100 20 30 FEEDRO Cc1ncc(S(=O)(=O)NC2CCC([NH+]3CCCCC3)CC2)cc1C#N ZINC000813679258 674768286 /nfs/dbraw/zinc/76/82/86/674768286.db2.gz ZGAICQNTSFJOSP-UHFFFAOYSA-N 1 0 362.499 2.337 20 30 FEEDRO COc1cc(CC[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)ccc1C ZINC000562994236 674832582 /nfs/dbraw/zinc/83/25/82/674832582.db2.gz BAELNEHMHXYJQV-UHFFFAOYSA-N 1 0 358.463 2.481 20 30 FEEDRO N#CCc1ccc(OC[C@H](O)C[NH2+]CCOc2ccc(Cl)cn2)cc1 ZINC000563806529 674941157 /nfs/dbraw/zinc/94/11/57/674941157.db2.gz ZEZFOYRKKZLZNY-MRXNPFEDSA-N 1 0 361.829 2.209 20 30 FEEDRO COc1ccc([C@H](C)[NH2+]C[C@@H](O)CN(C)CCC#N)cc1Br ZINC000563852850 674946352 /nfs/dbraw/zinc/94/63/52/674946352.db2.gz HAUVMPJFJKMHEK-GXTWGEPZSA-N 1 0 370.291 2.315 20 30 FEEDRO C=CC[C@H](CC)Nc1ccc(S(=O)(=O)NCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000564014259 674964301 /nfs/dbraw/zinc/96/43/01/674964301.db2.gz OJHFVIMTUMNDBU-ZDUSSCGKSA-N 1 0 370.475 2.201 20 30 FEEDRO CC(C)[C@H]1C[C@H](C[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)CCO1 ZINC000564076941 674970580 /nfs/dbraw/zinc/97/05/80/674970580.db2.gz UGAARLLSSHJZMC-SJLPKXTDSA-N 1 0 350.484 2.373 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cc(Cl)c(C)cc1Cl ZINC000815861481 674978974 /nfs/dbraw/zinc/97/89/74/674978974.db2.gz KQVOWUNCGBHRKR-UHFFFAOYSA-N 1 0 356.253 2.312 20 30 FEEDRO CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CCN1c1nc(Cl)c(C#N)s1 ZINC001048705932 675013386 /nfs/dbraw/zinc/01/33/86/675013386.db2.gz APPWBBSBKRHOGL-NWDGAFQWSA-N 1 0 367.906 2.237 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](C[C@@H]3CCC(F)(F)C3)C[C@@H]2C1 ZINC001049068517 675022313 /nfs/dbraw/zinc/02/23/13/675022313.db2.gz WJRINBSWPLMMKW-UUAJXVIYSA-N 1 0 354.441 2.403 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]C[C@@H](O)COc1c(OC)cccc1OC ZINC000564862750 675069565 /nfs/dbraw/zinc/06/95/65/675069565.db2.gz GDZXYUYRBHGORF-DAYGRLMNSA-N 1 0 351.443 2.014 20 30 FEEDRO N#Cc1cnn2cc(C[NH2+]CCCCn3cc(Br)cn3)cnc12 ZINC000564985404 675084831 /nfs/dbraw/zinc/08/48/31/675084831.db2.gz INEJNNFILDQRAZ-UHFFFAOYSA-N 1 0 374.246 2.130 20 30 FEEDRO C[N@H+](CCC(=O)Nc1sccc1C#N)CC(=O)NCc1ccccc1 ZINC000565331972 675112270 /nfs/dbraw/zinc/11/22/70/675112270.db2.gz LYAPNOSLWCOLNS-UHFFFAOYSA-N 1 0 356.451 2.197 20 30 FEEDRO C=C(C)C[NH+]1CCC(Nc2ccc(S(N)(=O)=O)c3cccnc23)CC1 ZINC000076686665 670553726 /nfs/dbraw/zinc/55/37/26/670553726.db2.gz KZGMGHOWKXCBJL-UHFFFAOYSA-N 1 0 360.483 2.335 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)CN(CC2CC2)C(=O)OC(C)(C)C)CC1 ZINC000080079289 670615492 /nfs/dbraw/zinc/61/54/92/670615492.db2.gz RHUVBFSMGLQPRY-UHFFFAOYSA-N 1 0 351.491 2.400 20 30 FEEDRO CN(CCC#N)C[C@H](O)C[NH2+]CCc1cc(Cl)ccc1Br ZINC000565535510 675130449 /nfs/dbraw/zinc/13/04/49/675130449.db2.gz IJENAMNOXVHRRZ-CQSZACIVSA-N 1 0 374.710 2.441 20 30 FEEDRO COc1ccc(C)cc1C1(CNC(=[NH2+])N2CCSCC2)CCOCC1 ZINC000104179375 670791071 /nfs/dbraw/zinc/79/10/71/670791071.db2.gz YJUZUBOGOMULBK-UHFFFAOYSA-N 1 0 363.527 2.415 20 30 FEEDRO CCCCn1c([C@@H](CC)[NH+](C)C)nn(CN2CCO[C@@H](C#N)C2)c1=S ZINC000106064797 670808461 /nfs/dbraw/zinc/80/84/61/670808461.db2.gz CCMCQOKBJCNBEZ-LSDHHAIUSA-N 1 0 366.535 2.409 20 30 FEEDRO Cc1cc(C(O)=CONC(=[NH2+])C2CCOCC2)c(C)n1-c1nccs1 ZINC000112087677 670865774 /nfs/dbraw/zinc/86/57/74/670865774.db2.gz VAUTUHWOASXOFO-UHFFFAOYSA-N 1 0 362.455 2.449 20 30 FEEDRO N#CC1(CS(=O)(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)CCC1 ZINC000573672383 671149761 /nfs/dbraw/zinc/14/97/61/671149761.db2.gz FYKFLUMJBGOBKK-GOSISDBHSA-N 1 0 361.511 2.164 20 30 FEEDRO CN(CCC#N)C[C@H](O)C[NH2+][C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000566124607 675183898 /nfs/dbraw/zinc/18/38/98/675183898.db2.gz KXJSIWIDCWDBPU-OWCLPIDISA-N 1 0 352.276 2.101 20 30 FEEDRO N#Cc1cc2c(nc1N1CC[NH+](CCc3cccs3)CC1)CCOC2 ZINC000574957479 671288831 /nfs/dbraw/zinc/28/88/31/671288831.db2.gz RYOJTHBLNBBQCP-UHFFFAOYSA-N 1 0 354.479 2.452 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+]CCSCC(F)(F)F)cc1 ZINC000577947812 671630305 /nfs/dbraw/zinc/63/03/05/671630305.db2.gz CSGHGVJGHHGWHP-UHFFFAOYSA-N 1 0 352.403 2.217 20 30 FEEDRO CCOC(=O)[C@]1(C(C)C)CC[N@@H+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000581051688 671858763 /nfs/dbraw/zinc/85/87/63/671858763.db2.gz YQCJJXLXHVGYMY-ZYSHUDEJSA-N 1 0 351.491 2.341 20 30 FEEDRO C[C@H](CC#N)N(C)S(=O)(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000581738086 671932451 /nfs/dbraw/zinc/93/24/51/671932451.db2.gz AQQODMQXOIYPAH-IUODEOHRSA-N 1 0 358.895 2.011 20 30 FEEDRO CC(C)(CNS(=O)(=O)CC1(CC#N)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000581925277 671950207 /nfs/dbraw/zinc/95/02/07/671950207.db2.gz SQIQPSKFYACBFH-UHFFFAOYSA-N 1 0 361.511 2.437 20 30 FEEDRO CC[NH+](CC)CC#C[C@H](C)OC(=O)Cc1csc(N2CCCC2=O)n1 ZINC000121643179 671954380 /nfs/dbraw/zinc/95/43/80/671954380.db2.gz MVUIFIHWJBGBGY-AWEZNQCLSA-N 1 0 363.483 2.089 20 30 FEEDRO N#Cc1cc(S(=O)(=O)N2CC3CCC2(C[NH3+])CC3)ccc1C(F)(F)F ZINC000583153594 672068502 /nfs/dbraw/zinc/06/85/02/672068502.db2.gz PLEFHRRXBVXZOB-UHFFFAOYSA-N 1 0 373.400 2.469 20 30 FEEDRO CCCC[NH+]=C(NCc1ccc(C)cc1)NC[C@H]1CCCS1(=O)=O ZINC000130673654 672078115 /nfs/dbraw/zinc/07/81/15/672078115.db2.gz FQVGBDYEMMQGAF-QGZVFWFLSA-N 1 0 351.516 2.408 20 30 FEEDRO C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H](C)C[N@@H+](C)CCCC)c1 ZINC000583349397 672086344 /nfs/dbraw/zinc/08/63/44/672086344.db2.gz HBWSNKIKOPXTCE-OAHLLOKOSA-N 1 0 367.515 2.001 20 30 FEEDRO C#CCOc1ccc(Br)cc1C[NH2+]C[C@@H](O)COCC1CC1 ZINC000131576997 672089483 /nfs/dbraw/zinc/08/94/83/672089483.db2.gz MAJLNBYVEURBES-MRXNPFEDSA-N 1 0 368.271 2.338 20 30 FEEDRO CCc1cnc(CNC(=[NH+]C)N2CCN([C@H](C)C(F)(F)F)CC2)s1 ZINC000133335676 672109582 /nfs/dbraw/zinc/10/95/82/672109582.db2.gz CORGZVHYGKVDFM-LLVKDONJSA-N 1 0 363.453 2.349 20 30 FEEDRO N#Cc1ncc(NC(=O)N2CCC[C@H]([NH+]3CCOCC3)CC2)cc1Cl ZINC000584061686 672152277 /nfs/dbraw/zinc/15/22/77/672152277.db2.gz RYJHWQMUTLDFTG-AWEZNQCLSA-N 1 0 363.849 2.325 20 30 FEEDRO C#CCOCCC(=O)NC1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000152514610 672183385 /nfs/dbraw/zinc/18/33/85/672183385.db2.gz WTJQICZSHMAIPQ-UHFFFAOYSA-N 1 0 364.873 2.339 20 30 FEEDRO CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]C2CCN(CC#N)CC2)cc1 ZINC000610813735 675998607 /nfs/dbraw/zinc/99/86/07/675998607.db2.gz RMAGPVRCCZVVSD-CQSZACIVSA-N 1 0 350.488 2.087 20 30 FEEDRO C=CCn1c(C)nn(CN2CC[N@H+](CCOC)[C@H](CCC)C2)c1=S ZINC000159823958 672285509 /nfs/dbraw/zinc/28/55/09/672285509.db2.gz DYODZJYYKZVCAW-MRXNPFEDSA-N 1 0 353.536 2.299 20 30 FEEDRO CC[C@H](C)NC(=[NH2+])NCc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000171043042 672328820 /nfs/dbraw/zinc/32/88/20/672328820.db2.gz JWOXDSVGZZXGJH-VIFPVBQESA-N 1 0 351.252 2.437 20 30 FEEDRO CC[NH+](CC)CC#C[C@H](C)OC(=O)c1cnc2sc(C)c(C)n2c1=O ZINC000181192058 672423140 /nfs/dbraw/zinc/42/31/40/672423140.db2.gz UTVUPSXFABLDLJ-LBPRGKRZSA-N 1 0 361.467 2.263 20 30 FEEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@H](C)CS(=O)(=O)CC)ccc1OC ZINC000183257127 672463960 /nfs/dbraw/zinc/46/39/60/672463960.db2.gz PODMCFRJLKTYPT-UKRRQHHQSA-N 1 0 354.472 2.289 20 30 FEEDRO CNS(=O)(=O)Cc1ccc(C[NH2+][C@@H]2CCc3ccc(C#N)cc32)cc1 ZINC000589337907 672522295 /nfs/dbraw/zinc/52/22/95/672522295.db2.gz DPDJXYVGIOAXLM-LJQANCHMSA-N 1 0 355.463 2.385 20 30 FEEDRO CSCCCCCNC1=[NH+]C[C@@H]2CN(C(=O)OC(C)(C)C)CCN12 ZINC000187051313 672561334 /nfs/dbraw/zinc/56/13/34/672561334.db2.gz VQNHRXULBOXQIY-CQSZACIVSA-N 1 0 356.536 2.400 20 30 FEEDRO CN(CCCC[NH+](C)C)S(=O)(=O)c1cc(Br)ccc1C#N ZINC000591326228 672670029 /nfs/dbraw/zinc/67/00/29/672670029.db2.gz QUFMMIWZKUDAMF-UHFFFAOYSA-N 1 0 374.304 2.283 20 30 FEEDRO N#C[C@H](c1cccs1)N1CCN(C(=O)C[NH2+]C2(C3CCC3)CC2)CC1 ZINC000593082995 672873237 /nfs/dbraw/zinc/87/32/37/672873237.db2.gz TWLZQPHDQNXFKN-MRXNPFEDSA-N 1 0 358.511 2.379 20 30 FEEDRO O=C(NCC[NH2+]Cc1cc(Br)ccc1F)C1N=CC=CC1=O ZINC000255569983 672893535 /nfs/dbraw/zinc/89/35/35/672893535.db2.gz JJDJYXFARWSPIT-CCEZHUSRSA-N 1 0 368.206 2.204 20 30 FEEDRO C[NH+]=C(NCC[C@@H]1CCCC[C@@H]1C)NCC1CCN(S(C)(=O)=O)CC1 ZINC000261601017 672900023 /nfs/dbraw/zinc/90/00/23/672900023.db2.gz BNFRGJPWBDHLFW-RDJZCZTQSA-N 1 0 372.579 2.039 20 30 FEEDRO C[NH+]=C(NCCS(=O)(=O)C(C)(C)C)N1CC[C@](C)(c2ccccc2)C1 ZINC000261710296 672902085 /nfs/dbraw/zinc/90/20/85/672902085.db2.gz HCQOENNSPNKZEE-IBGZPJMESA-N 1 0 365.543 2.439 20 30 FEEDRO CC(C)CNC(=[NH2+])NCCc1ccc(I)s1 ZINC000261987719 672907048 /nfs/dbraw/zinc/90/70/48/672907048.db2.gz KNYRXVSGGXXQHD-UHFFFAOYSA-N 1 0 351.257 2.456 20 30 FEEDRO COc1ncccc1CNC(=[NH2+])N1CCN(c2ccc(Cl)cc2)CC1 ZINC000262018519 672907986 /nfs/dbraw/zinc/90/79/86/672907986.db2.gz WWJKUGHKNMQPJI-UHFFFAOYSA-N 1 0 359.861 2.381 20 30 FEEDRO CC[NH+]=C(NCc1ccc(F)c(C)c1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000262024989 672908036 /nfs/dbraw/zinc/90/80/36/672908036.db2.gz ZLVKQBPYUNTINL-UHFFFAOYSA-N 1 0 355.479 2.109 20 30 FEEDRO C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)N1CCN(Cc2cccs2)CC1 ZINC000262335991 672913430 /nfs/dbraw/zinc/91/34/30/672913430.db2.gz BVYLYPRUHMNPHR-BBWFWOEESA-N 1 0 362.543 2.255 20 30 FEEDRO C[NH+]=C(NCC1(SC)CCOCC1)N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000262363682 672914361 /nfs/dbraw/zinc/91/43/61/672914361.db2.gz HIOBJRPIJNUYJN-ZNMIVQPWSA-N 1 0 355.548 2.267 20 30 FEEDRO CCC[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N[C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC000262362147 672914405 /nfs/dbraw/zinc/91/44/05/672914405.db2.gz GZHPKXUGIDFGAX-LUKYLMHMSA-N 1 0 355.548 2.335 20 30 FEEDRO C=CCNC(=[NH+]C[C@@H]1CCS(=O)(=O)C1)N1CCC2(C1)CCCCC2 ZINC000262409214 672915251 /nfs/dbraw/zinc/91/52/51/672915251.db2.gz OZIOBOCTYSCQSH-INIZCTEOSA-N 1 0 353.532 2.209 20 30 FEEDRO Cc1nnsc1CNC(=[NH2+])N1CCN(c2ccc(Cl)cc2)CC1 ZINC000262712311 672919714 /nfs/dbraw/zinc/91/97/14/672919714.db2.gz QCRGOCONWADFPD-UHFFFAOYSA-N 1 0 350.879 2.137 20 30 FEEDRO CC[NH+]=C(NCC1CCSCC1)N[C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000262826453 672921930 /nfs/dbraw/zinc/92/19/30/672921930.db2.gz YGYVRWVWBIEINE-MRXNPFEDSA-N 1 0 364.563 2.087 20 30 FEEDRO CC[N@@H+]1CCCN(C(=O)Cc2ccc(Br)cc2C#N)CC1 ZINC000593459459 672926525 /nfs/dbraw/zinc/92/65/25/672926525.db2.gz ZYVPVYXESSQPQJ-UHFFFAOYSA-N 1 0 350.260 2.417 20 30 FEEDRO CC[N@@H+]1CCN(C(=O)Cc2ccc(Br)cc2C#N)C[C@H]1C ZINC000593557794 672942467 /nfs/dbraw/zinc/94/24/67/672942467.db2.gz RCUXEYVXDPIASE-GFCCVEGCSA-N 1 0 350.260 2.416 20 30 FEEDRO C[NH+](C)C[C@@H]1CN(S(=O)(=O)c2ccsc2C#N)c2ccccc2O1 ZINC000593563081 672944337 /nfs/dbraw/zinc/94/43/37/672944337.db2.gz QAJUJVOSPBHYGX-GFCCVEGCSA-N 1 0 363.464 2.138 20 30 FEEDRO C[NH+](C)CCN(C(=O)Cc1ccc(Br)cc1C#N)C1CC1 ZINC000593894702 673005728 /nfs/dbraw/zinc/00/57/28/673005728.db2.gz SURXILXQQDKBEU-UHFFFAOYSA-N 1 0 350.260 2.416 20 30 FEEDRO COC[C@H](C)NC(=[NH2+])NCCC(=O)Nc1ccc(Br)cc1C ZINC000303978252 673019725 /nfs/dbraw/zinc/01/97/25/673019725.db2.gz MDXQVXGFCLEACB-NSHDSACASA-N 1 0 371.279 2.025 20 30 FEEDRO CC(C)c1cc(CNC(=[NH2+])N2CCN(C(=O)OC(C)(C)C)CC2)on1 ZINC000304750280 673020154 /nfs/dbraw/zinc/02/01/54/673020154.db2.gz IFPXUGZFOOJQNL-UHFFFAOYSA-N 1 0 351.451 2.165 20 30 FEEDRO CN(C)C(NCc1ccccc1CS(C)(=O)=O)=[NH+]Cc1ccccc1 ZINC000304758345 673020774 /nfs/dbraw/zinc/02/07/74/673020774.db2.gz PWAUWRDFTBOUGO-UHFFFAOYSA-N 1 0 359.495 2.439 20 30 FEEDRO Cc1csc([C@H](C)CNC(=[NH2+])N2CCN(C(=O)OC(C)(C)C)CC2)n1 ZINC000305804738 673021878 /nfs/dbraw/zinc/02/18/78/673021878.db2.gz FZYWJVOOKQQNLV-GFCCVEGCSA-N 1 0 367.519 2.422 20 30 FEEDRO CC[NH+]1CCC(NC(=O)N2CCCN(Cc3cscn3)CC2)CC1 ZINC000328894440 673068812 /nfs/dbraw/zinc/06/88/12/673068812.db2.gz VRRUBVDKGCHBAG-UHFFFAOYSA-N 1 0 351.520 2.049 20 30 FEEDRO N#CCCCC[C@@H]([NH3+])C(=O)N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000594444685 673072944 /nfs/dbraw/zinc/07/29/44/673072944.db2.gz BKQWKZAPSKIZRT-HUUCEWRRSA-N 1 0 366.824 2.112 20 30 FEEDRO CCOC(=O)c1sc([C@H](C)NC(=O)[C@H]([NH3+])CCCCC#N)nc1C ZINC000594445789 673073119 /nfs/dbraw/zinc/07/31/19/673073119.db2.gz MCWRJZIZEHELNB-NWDGAFQWSA-N 1 0 352.460 2.217 20 30 FEEDRO COc1ccc(Cl)c(N2CCN(C(=O)[C@H]([NH3+])CCCCC#N)CC2)c1 ZINC000594453228 673074549 /nfs/dbraw/zinc/07/45/49/673074549.db2.gz NPOBWMLLUNOXQY-MRXNPFEDSA-N 1 0 364.877 2.408 20 30 FEEDRO COc1cc2nc(C)sc2cc1NC(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000329370884 673076318 /nfs/dbraw/zinc/07/63/18/673076318.db2.gz AUPVIFBWGBOIAP-GFCCVEGCSA-N 1 0 363.487 2.185 20 30 FEEDRO CN(C)C(=O)C1(CNC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)CCCC1 ZINC000329399347 673076729 /nfs/dbraw/zinc/07/67/29/673076729.db2.gz XIDGIUHCHWLYRQ-INIZCTEOSA-N 1 0 350.507 2.109 20 30 FEEDRO C=CCC[C@@H](C)[NH2+]CC[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O ZINC000721711988 673083251 /nfs/dbraw/zinc/08/32/51/673083251.db2.gz ZVLOBJAFBADDOL-CABCVRRESA-N 1 0 360.520 2.355 20 30 FEEDRO COC(=O)CCC[NH+]1CCC(=NNC(=S)N[C@@H]2CCCC[C@H]2C)CC1 ZINC000727058504 673152095 /nfs/dbraw/zinc/15/20/95/673152095.db2.gz ACEJSTRWYFBELL-GDBMZVCRSA-N 1 0 368.547 2.434 20 30 FEEDRO COC(=O)CCC[NH+]1CCC(N=Nc2c(F)c(F)nc(F)c2F)CC1 ZINC000727059693 673152341 /nfs/dbraw/zinc/15/23/41/673152341.db2.gz UXBYPSODCWXARR-UHFFFAOYSA-N 1 0 362.327 2.455 20 30 FEEDRO COc1cc(C#N)ccc1S(=O)(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000594853979 673164528 /nfs/dbraw/zinc/16/45/28/673164528.db2.gz CCPUMWZNEWFELM-OAHLLOKOSA-N 1 0 363.483 2.252 20 30 FEEDRO CC(C)[C@H]([NH2+]CC(=O)N(CCC#N)c1ccccc1)[C@H](O)C(F)(F)F ZINC000595483005 673256912 /nfs/dbraw/zinc/25/69/12/673256912.db2.gz DRGUVIPQDBHNBL-HOTGVXAUSA-N 1 0 357.376 2.471 20 30 FEEDRO CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+]CCC(=O)Nc2sccc2C#N)C1 ZINC000595630690 673276289 /nfs/dbraw/zinc/27/62/89/673276289.db2.gz AVFOVEAMEQDUTJ-CFVMTHIKSA-N 1 0 351.472 2.104 20 30 FEEDRO CCOC(=O)CC1([NH2+]CCC(=O)Nc2sccc2C#N)CCOCC1 ZINC000595888803 673334857 /nfs/dbraw/zinc/33/48/57/673334857.db2.gz TUFXHFJFAPFGIF-UHFFFAOYSA-N 1 0 365.455 2.040 20 30 FEEDRO CCNC(=S)C(=C(O)C1=CCC(=NC(N)=O)C=C1)[n+]1cccc(C)c1 ZINC000732177385 673356309 /nfs/dbraw/zinc/35/63/09/673356309.db2.gz IJRSTQJERHRLSR-UHFFFAOYSA-O 1 0 357.459 2.406 20 30 FEEDRO CC[C@@H](C#N)Oc1cc(CNC(=S)NCCC[NH+](C)C)ccc1OC ZINC000733209137 673403338 /nfs/dbraw/zinc/40/33/38/673403338.db2.gz OPBJVVCEEPAHKL-HNNXBMFYSA-N 1 0 364.515 2.292 20 30 FEEDRO C[NH+](C)Cc1ccc(CNS(=O)(=O)Cc2cc(C#N)ccc2F)cc1 ZINC000537838882 673410611 /nfs/dbraw/zinc/41/06/11/673410611.db2.gz ZFEUHWKUKUHBKL-UHFFFAOYSA-N 1 0 361.442 2.379 20 30 FEEDRO C[C@@H](CCNC(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1)[NH+](C)C ZINC000596832564 673417975 /nfs/dbraw/zinc/41/79/75/673417975.db2.gz PUFMZUUMEKRZHN-LBPRGKRZSA-N 1 0 360.849 2.859 20 30 FEEDRO C[C@H]1C[N@H+](Cc2ccccn2)CCC1=NNC(=S)NCC(F)(F)F ZINC000734365565 673461218 /nfs/dbraw/zinc/46/12/18/673461218.db2.gz LRNHDSHYDUQEOT-NSHDSACASA-N 1 0 359.421 2.306 20 30 FEEDRO CN1CC[NH+](CC2CN(C(=O)c3c(Cl)cc(C#N)cc3Cl)C2)CC1 ZINC000597695139 673500007 /nfs/dbraw/zinc/50/00/07/673500007.db2.gz QQWGETBKBKHUBE-UHFFFAOYSA-N 1 0 367.280 2.184 20 30 FEEDRO C[C@@H](CCNC(=O)COc1ccc(C#N)c(Br)c1)[NH+](C)C ZINC000597991681 673527485 /nfs/dbraw/zinc/52/74/85/673527485.db2.gz GYUKYYHICBMZNN-NSHDSACASA-N 1 0 354.248 2.156 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1cc(O)cc(Br)c1 ZINC000599165098 673637863 /nfs/dbraw/zinc/63/78/63/673637863.db2.gz KYDCYGZICYQGAJ-UHFFFAOYSA-N 1 0 354.248 2.462 20 30 FEEDRO Cn1cc(C[NH2+]C[C@@H]2CCCCS2(=O)=O)c(-c2ccc(C#N)cc2)n1 ZINC000544367005 673708004 /nfs/dbraw/zinc/70/80/04/673708004.db2.gz HBVHZRDQLRSTAC-KRWDZBQOSA-N 1 0 358.467 2.016 20 30 FEEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000599894961 673726913 /nfs/dbraw/zinc/72/69/13/673726913.db2.gz AJRXKOGNAWSGGQ-RDBSUJKOSA-N 1 0 360.483 2.134 20 30 FEEDRO N#Cc1ccc(CNC(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)c(F)c1 ZINC000599911725 673727732 /nfs/dbraw/zinc/72/77/32/673727732.db2.gz FKECBMCEWOAYLD-QWHCGFSZSA-N 1 0 358.339 2.366 20 30 FEEDRO N#CC1(C[C@@H](O)C[NH2+]CCC(=O)Nc2ccc(Br)cc2)CC1 ZINC000600721110 673794208 /nfs/dbraw/zinc/79/42/08/673794208.db2.gz SNVDXBQCINGWMK-CQSZACIVSA-N 1 0 366.259 2.422 20 30 FEEDRO CC(C)[C@H](C[NH2+]C[C@@H](O)CC1(C#N)CCOCC1)N1CCC(C)CC1 ZINC000600717775 673794278 /nfs/dbraw/zinc/79/42/78/673794278.db2.gz NOLNFFPMNUTMOK-OALUTQOASA-N 1 0 351.535 2.404 20 30 FEEDRO N#CC1(C[C@@H](O)C[NH2+][C@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)CC1 ZINC000600733305 673795109 /nfs/dbraw/zinc/79/51/09/673795109.db2.gz YNCYKXWHQQHYSD-WCQYABFASA-N 1 0 351.809 2.229 20 30 FEEDRO C[C@]1(C[NH2+]C[C@@H](O)CC2(C#N)CCOCC2)OCCc2sccc21 ZINC000600739236 673795513 /nfs/dbraw/zinc/79/55/13/673795513.db2.gz AHXGKWKHDMRYAP-WMLDXEAASA-N 1 0 350.484 2.197 20 30 FEEDRO Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000601362714 673848494 /nfs/dbraw/zinc/84/84/94/673848494.db2.gz PIPZIKUFGZBCRS-HNNXBMFYSA-N 1 0 365.474 2.358 20 30 FEEDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNS(=O)(=O)CC1(CC#N)CC1 ZINC000601481360 673869431 /nfs/dbraw/zinc/86/94/31/673869431.db2.gz DZHQCVAKAJDXGQ-AEFFLSMTSA-N 1 0 361.511 2.368 20 30 FEEDRO N#Cc1cc(Br)ccc1Cn1cc([C@@H]([NH3+])[C@@H]2CCCO2)nn1 ZINC000603241338 673919838 /nfs/dbraw/zinc/91/98/38/673919838.db2.gz KKDKCNSATOMMLC-LSDHHAIUSA-N 1 0 362.231 2.139 20 30 FEEDRO N#Cc1ccc(Cn2cc([C@H]([NH3+])[C@H]3CCCO3)nn2)c(C(F)(F)F)c1 ZINC000603253001 673920160 /nfs/dbraw/zinc/92/01/60/673920160.db2.gz YODNWXCIHIIKRM-CABCVRRESA-N 1 0 351.332 2.396 20 30 FEEDRO CN1CCC([N@@H+]2CC[C@@H](Nc3cc(C#N)c(Br)cn3)C2)CC1 ZINC000603294460 673922676 /nfs/dbraw/zinc/92/26/76/673922676.db2.gz VBYFTXPVPWJHFH-CYBMUJFWSA-N 1 0 364.291 2.296 20 30 FEEDRO N#Cc1cc(N2CCC[C@@H](C[NH+]3CCOCC3)C2)ncc1Br ZINC000603370072 673926742 /nfs/dbraw/zinc/92/67/42/673926742.db2.gz JTGARSNOYLVSOR-ZDUSSCGKSA-N 1 0 365.275 2.264 20 30 FEEDRO C[NH+]1CCC2(CCN(S(=O)(=O)c3ccc(Cl)c(C#N)c3)C2)CC1 ZINC000603383535 673927990 /nfs/dbraw/zinc/92/79/90/673927990.db2.gz OPOUORMVDYSLBK-UHFFFAOYSA-N 1 0 353.875 2.318 20 30 FEEDRO Cc1ncc(S(=O)(=O)N2CCCC[C@@H]2[C@H](C)C[NH+](C)C)cc1C#N ZINC000603390451 673929060 /nfs/dbraw/zinc/92/90/60/673929060.db2.gz KCOKGFHSIJIABU-CXAGYDPISA-N 1 0 350.488 2.003 20 30 FEEDRO COc1cc(C#N)ccc1S(=O)(=O)N1CCCC[C@H]1[C@H](C)C[NH+](C)C ZINC000603391945 673929149 /nfs/dbraw/zinc/92/91/49/673929149.db2.gz VLVNCASRJBQLSG-ZBFHGGJFSA-N 1 0 365.499 2.308 20 30 FEEDRO N#Cc1cc(N2CCC[C@H]([NH+]3CCOCC3)CC2)ncc1Br ZINC000603400765 673929788 /nfs/dbraw/zinc/92/97/88/673929788.db2.gz BMORHSIYAXAELX-AWEZNQCLSA-N 1 0 365.275 2.407 20 30 FEEDRO N#Cc1ccc(NCC[NH2+]C[C@@H](O)c2cccc(Br)c2)nc1 ZINC000818952100 675246102 /nfs/dbraw/zinc/24/61/02/675246102.db2.gz DLEBXZCGBWJGGJ-OAHLLOKOSA-N 1 0 361.243 2.451 20 30 FEEDRO N#Cc1ccc([C@H](O)C[NH2+]C2CCN(C(=O)CC(F)(F)F)CC2)cc1 ZINC000819005098 675251922 /nfs/dbraw/zinc/25/19/22/675251922.db2.gz JOCRZNIHTTUTBF-OAHLLOKOSA-N 1 0 355.360 2.125 20 30 FEEDRO CS(=O)(=O)c1ccc([C@@H](O)C[NH2+][C@H]2CCc3cc(C#N)ccc32)cc1 ZINC000819271953 675276189 /nfs/dbraw/zinc/27/61/89/675276189.db2.gz YKWIOUZIOONEJB-OALUTQOASA-N 1 0 356.447 2.272 20 30 FEEDRO CN(CCC#N)C[C@@H](O)C[NH2+]C/C=C/c1ccc(Br)cc1 ZINC000567345485 675285820 /nfs/dbraw/zinc/28/58/20/675285820.db2.gz JUGXLUKYQIIRCU-ICTCPBKTSA-N 1 0 352.276 2.258 20 30 FEEDRO C[C@@H]1C[N@@H+](C)C[C@H](C)N1C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C ZINC000819429682 675289796 /nfs/dbraw/zinc/28/97/96/675289796.db2.gz RZGBCPZNOLOVDM-QLFBSQMISA-N 1 0 352.479 2.125 20 30 FEEDRO CCc1ccccc1[C@H]([NH3+])CNS(=O)(=O)Cc1ccc(CC#N)cc1 ZINC000567861762 675330197 /nfs/dbraw/zinc/33/01/97/675330197.db2.gz VPPGURJYZNLONF-LJQANCHMSA-N 1 0 357.479 2.434 20 30 FEEDRO CCc1ccccc1[C@@H]([NH3+])CNS(=O)(=O)Cc1ccc(CC#N)cc1 ZINC000567861761 675330204 /nfs/dbraw/zinc/33/02/04/675330204.db2.gz VPPGURJYZNLONF-IBGZPJMESA-N 1 0 357.479 2.434 20 30 FEEDRO C#CC[N@@H+](C)CCCNC(=O)c1nc(C(C)C)ncc1Br ZINC000820688204 675378927 /nfs/dbraw/zinc/37/89/27/675378927.db2.gz MUSWILHNTJCHLQ-UHFFFAOYSA-N 1 0 353.264 2.047 20 30 FEEDRO C#CCO[C@@H](C)C(=O)NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000823171456 675533916 /nfs/dbraw/zinc/53/39/16/675533916.db2.gz TWYRHLWKPPYAGH-INIZCTEOSA-N 1 0 363.889 2.007 20 30 FEEDRO C=CCS(=O)(=O)CC[NH2+]C[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000824142720 675585789 /nfs/dbraw/zinc/58/57/89/675585789.db2.gz PHAWJVNKFOTXJZ-CABCVRRESA-N 1 0 360.520 2.212 20 30 FEEDRO C=CC1(CC(=O)N(CC)[C@H]2CC[N@H+](C)C2)CN(C(=O)OC(C)(C)C)C1 ZINC000824841788 675625165 /nfs/dbraw/zinc/62/51/65/675625165.db2.gz NQVXJRYWEVHKJA-HNNXBMFYSA-N 1 0 351.491 2.352 20 30 FEEDRO C#CCN(CC(=O)NCC1CC[NH+](CCC)CC1)C(=O)OC(C)(C)C ZINC000824963646 675630836 /nfs/dbraw/zinc/63/08/36/675630836.db2.gz UVZYNZOZJSAQJI-UHFFFAOYSA-N 1 0 351.491 2.095 20 30 FEEDRO C[NH+]1CCN(Cc2ccc(CNC(=O)C#Cc3cccs3)cc2)CC1 ZINC000825098759 675636891 /nfs/dbraw/zinc/63/68/91/675636891.db2.gz NNFLXEBTRFEWIE-UHFFFAOYSA-N 1 0 353.491 2.163 20 30 FEEDRO C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3ccc(Br)cc3C#N)CC[C@H]21 ZINC000827234085 675742076 /nfs/dbraw/zinc/74/20/76/675742076.db2.gz WNNRFLZDMPJGFA-CZUORRHYSA-N 1 0 362.271 2.416 20 30 FEEDRO O=C(C#Cc1cccs1)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000827316447 675747623 /nfs/dbraw/zinc/74/76/23/675747623.db2.gz BJYBRZQGOVAIHQ-MJGOQNOKSA-N 1 0 354.475 2.099 20 30 FEEDRO C#CCN(CC(=O)N1CCC(CC[NH+](C)C)CC1)C(=O)OC(C)(C)C ZINC000827549426 675764192 /nfs/dbraw/zinc/76/41/92/675764192.db2.gz KHDMDWZNAGKEHS-UHFFFAOYSA-N 1 0 351.491 2.047 20 30 FEEDRO C[C@@H](NC(=O)OC(C)(C)C)c1nc(C(=O)NCC#CC[NH+](C)C)cs1 ZINC000827971685 675790000 /nfs/dbraw/zinc/79/00/00/675790000.db2.gz DZEJHTDHYWCTGY-GFCCVEGCSA-N 1 0 366.487 2.024 20 30 FEEDRO C#CCN(CC(=O)N(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C)C(=O)OC(C)(C)C ZINC000828596492 675832845 /nfs/dbraw/zinc/83/28/45/675832845.db2.gz WQLKABLZVGKJDO-HOTGVXAUSA-N 1 0 351.491 2.045 20 30 FEEDRO C=CCOc1c(Cl)cc(CN2CC[NH+](C[C@H](C)O)CC2)cc1OC ZINC000628162836 676792983 /nfs/dbraw/zinc/79/29/83/676792983.db2.gz GJRMGSDCNRPZFO-AWEZNQCLSA-N 1 0 354.878 2.412 20 30 FEEDRO C=CCOc1c(Cl)cc(CN2CC[N@@H+]3C[C@H](O)C[C@H]3C2)cc1OC ZINC000628327725 676798045 /nfs/dbraw/zinc/79/80/45/676798045.db2.gz NFGVUSUORBARLB-LSDHHAIUSA-N 1 0 352.862 2.164 20 30 FEEDRO C#CC1CC[NH+](Cc2cc(OCC)n3nc(C(F)(F)F)nc3n2)CC1 ZINC000830343019 677035230 /nfs/dbraw/zinc/03/52/30/677035230.db2.gz JNLDCSJXKPAVCR-UHFFFAOYSA-N 1 0 353.348 2.387 20 30 FEEDRO C=CCC[C@@H](NC(=O)C(=O)NC[C@@H](C)[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000642747256 677221793 /nfs/dbraw/zinc/22/17/93/677221793.db2.gz MQXMZYVFQXUBKU-BXUZGUMPSA-N 1 0 357.376 2.292 20 30 FEEDRO CC#CC[C@H](CO)NC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000645133957 677254186 /nfs/dbraw/zinc/25/41/86/677254186.db2.gz OQSALUMFLZPDIY-GOSISDBHSA-N 1 0 363.889 2.378 20 30 FEEDRO C[NH+](C)CC(C)(C)CNC(=S)N1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000761188853 680714222 /nfs/dbraw/zinc/71/42/22/680714222.db2.gz XPXFRXXPWZQQNP-KRWDZBQOSA-N 1 0 360.527 2.394 20 30 FEEDRO OC1CCC(=NNC(=S)NC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000761748740 680730863 /nfs/dbraw/zinc/73/08/63/680730863.db2.gz DQWURQIYDKTXHN-UHFFFAOYSA-N 1 0 360.527 2.406 20 30 FEEDRO C=CCC1(NC(=O)NC2CCN(C(=O)CCC[NH2+]C)CC2)CCCC1 ZINC000659627576 678193866 /nfs/dbraw/zinc/19/38/66/678193866.db2.gz XTYPTFCMQQRBSD-UHFFFAOYSA-N 1 0 350.507 2.165 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)NCc2cccc3c2OC(F)(F)O3)CC1 ZINC000660704480 678375852 /nfs/dbraw/zinc/37/58/52/678375852.db2.gz OJVLAJLAFLLPCK-UHFFFAOYSA-N 1 0 353.369 2.458 20 30 FEEDRO C=CC[C@]1(C(=O)Nc2ccc(C(=O)NCCOC)c(Cl)c2)CCC[NH2+]1 ZINC000662513171 678632037 /nfs/dbraw/zinc/63/20/37/678632037.db2.gz PSFSLKAFXYVIHZ-GOSISDBHSA-N 1 0 365.861 2.353 20 30 FEEDRO O=C(NCC#Cc1cccc(C(F)(F)F)c1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000668996958 679213648 /nfs/dbraw/zinc/21/36/48/679213648.db2.gz ISVKIYIXXFIZKE-GOEBONIOSA-N 1 0 351.372 2.450 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)NC[C@H](CO)c2ccc(Cl)cc2)CC1 ZINC000672839713 679396632 /nfs/dbraw/zinc/39/66/32/679396632.db2.gz CSXFMSKNBXJQAB-OAHLLOKOSA-N 1 0 351.878 2.366 20 30 FEEDRO C#CCC[NH+]1CCC(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000840951717 680856248 /nfs/dbraw/zinc/85/62/48/680856248.db2.gz IERIEJQWFPNHIW-UHFFFAOYSA-N 1 0 371.846 2.014 20 30 FEEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)Nc1ncc(Cc2ccc(F)c(F)c2)s1 ZINC000841018883 680860160 /nfs/dbraw/zinc/86/01/60/680860160.db2.gz YFCPDGDELCANBQ-HZMBPMFUSA-N 1 0 363.393 2.245 20 30 FEEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)Nc1ccc(OC(F)F)cc1OC(F)F ZINC000841046649 680860876 /nfs/dbraw/zinc/86/08/76/680860876.db2.gz DFBYAVYHSZKMRO-XVKPBYJWSA-N 1 0 362.283 2.122 20 30 FEEDRO CC(C)OC(=O)c1ccc(Cl)c(NC(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)c1 ZINC000841099645 680863322 /nfs/dbraw/zinc/86/33/22/680863322.db2.gz MVMHPNZWWQSFJW-SMDDNHRTSA-N 1 0 350.806 2.138 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCc2ccc(F)c(F)c2)C1 ZINC001015721771 680050119 /nfs/dbraw/zinc/05/01/19/680050119.db2.gz OMDUQRZVMOXNIK-DAYGRLMNSA-N 1 0 350.409 2.289 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc3nsnc32)C1 ZINC001020604753 680111687 /nfs/dbraw/zinc/11/16/87/680111687.db2.gz MTQOXGLRRIOYQC-KQTLUZQSSA-N 1 0 358.467 2.019 20 30 FEEDRO C=C(Br)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCO[C@H]3C3CC3)[C@@H]2C1 ZINC000978519339 680177888 /nfs/dbraw/zinc/17/78/88/680177888.db2.gz GVQVFBIQFHWEBV-SUJAAXHWSA-N 1 0 369.303 2.004 20 30 FEEDRO C=CCCC[N@@H+](C)CN1C[C@H]2CN(C(=O)OC(C)(C)C)CCN2C1=O ZINC000751596552 680189196 /nfs/dbraw/zinc/18/91/96/680189196.db2.gz ZBNQSEYEFVDFRZ-OAHLLOKOSA-N 1 0 352.479 2.199 20 30 FEEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)CCSc1ccc(Br)cc1 ZINC000834480284 680232861 /nfs/dbraw/zinc/23/28/61/680232861.db2.gz NOMYLPQYFPTAJX-MFKMUULPSA-N 1 0 354.273 2.159 20 30 FEEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)c1ccn(-c2ccc(Cl)c(Cl)c2)n1 ZINC000834485020 680233502 /nfs/dbraw/zinc/23/35/02/680233502.db2.gz QXJSTOGIYHEMDJ-LKFCYVNXSA-N 1 0 350.209 2.020 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]C[C@@H](O)c2ccccc2Cl)C1 ZINC001022736697 680234398 /nfs/dbraw/zinc/23/43/98/680234398.db2.gz ABXVHLPVADMISC-AQDKSWOWSA-N 1 0 364.873 2.201 20 30 FEEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)Cc1csc(-c2ccc(Cl)s2)n1 ZINC000834493935 680234952 /nfs/dbraw/zinc/23/49/52/680234952.db2.gz JASDECDTPOVXGA-WCBMZHEXSA-N 1 0 352.872 2.295 20 30 FEEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)C1(Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000834499834 680235743 /nfs/dbraw/zinc/23/57/43/680235743.db2.gz NHOYIXGGVLMFGS-JSGCOSHPSA-N 1 0 353.344 2.136 20 30 FEEDRO Cc1nn(-c2ccccc2)c2sc(C(=O)N[C@@H]3C[NH2+]C[C@H]3C#N)cc12 ZINC000834512489 680236786 /nfs/dbraw/zinc/23/67/86/680236786.db2.gz XUVOTZZDJIGRIZ-IUODEOHRSA-N 1 0 351.435 2.237 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+](CC2CCOCC2)C1 ZINC001023643107 680268603 /nfs/dbraw/zinc/26/86/03/680268603.db2.gz OVXGGTMFGPUYKH-QYZOEREBSA-N 1 0 350.503 2.222 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[N@@H+](C[C@@H](OC)C2CCC2)CC1 ZINC000982173421 680272601 /nfs/dbraw/zinc/27/26/01/680272601.db2.gz MOPZUPXVHVCHCV-OTWHNJEPSA-N 1 0 350.503 2.317 20 30 FEEDRO C=C(CC)C[NH2+][C@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000834902444 680281247 /nfs/dbraw/zinc/28/12/47/680281247.db2.gz IBKJOLNDXMHQTA-CYBMUJFWSA-N 1 0 360.501 2.029 20 30 FEEDRO Ic1ccc(C=NNC2=[NH+][C@@H]3CCCC[C@@H]3N2)cc1 ZINC000834965737 680284940 /nfs/dbraw/zinc/28/49/40/680284940.db2.gz HSXLKHYXFXREQC-BETUJISGSA-N 1 0 368.222 2.485 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCCC[C@@H]1C[NH2+]Cc1snnc1C ZINC001025112135 680313777 /nfs/dbraw/zinc/31/37/77/680313777.db2.gz UCRWMCQNSFGEHN-VYDXJSESSA-N 1 0 364.515 2.298 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([NH2+][C@@H](C)c2nnc(C)s2)CC1 ZINC000996601978 680336547 /nfs/dbraw/zinc/33/65/47/680336547.db2.gz UZMJWKFABKGWOK-MAZHCROVSA-N 1 0 364.515 2.469 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@H]3CCC(F)(F)C3)C[C@H]21 ZINC001025791277 680338506 /nfs/dbraw/zinc/33/85/06/680338506.db2.gz JMLGBFYUPSUDHL-QROFKTNTSA-N 1 0 354.441 2.449 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CCC([NH2+]Cc2nnc(C)s2)CC1 ZINC001026575291 680347564 /nfs/dbraw/zinc/34/75/64/680347564.db2.gz KNEMMQFDJGDTNN-NDTCATRNSA-N 1 0 364.515 2.345 20 30 FEEDRO C=CC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)CC1 ZINC000998045314 680373237 /nfs/dbraw/zinc/37/32/37/680373237.db2.gz JVCDEYVMYPPPCY-KFWWJZLASA-N 1 0 364.408 2.222 20 30 FEEDRO N#Cc1ccc(C[N@H+]2CC[C@H](CNC(=O)[C@@H]3CCO[C@H]3C3CC3)C2)s1 ZINC001028703004 680381222 /nfs/dbraw/zinc/38/12/22/680381222.db2.gz ZKZJADCZQIEMDG-XWIAVFTESA-N 1 0 359.495 2.373 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2cnc(Cl)s2)C1 ZINC000984825348 680384192 /nfs/dbraw/zinc/38/41/92/680384192.db2.gz WGGXAVQZACPKSJ-OXHZDVMGSA-N 1 0 355.891 2.372 20 30 FEEDRO C[N@@H+](Cc1ccc(C#N)s1)C[C@H]1CCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC001029848762 680393727 /nfs/dbraw/zinc/39/37/27/680393727.db2.gz FPZQKOJQYYSIGX-DTDBQYNISA-N 1 0 359.495 2.468 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2nnc(C)s2)C1 ZINC000984903346 680394653 /nfs/dbraw/zinc/39/46/53/680394653.db2.gz XFBSGFUPEPWKGJ-JKQORVJESA-N 1 0 364.515 2.202 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2snnc2C)C1 ZINC000984905639 680395062 /nfs/dbraw/zinc/39/50/62/680395062.db2.gz RZABPUXTBYDKNM-JKQORVJESA-N 1 0 364.515 2.202 20 30 FEEDRO CC[C@@H]1[C@@H](C(=O)NC2CN(CC#Cc3ccc(Cl)cc3)C2)CC[N@@H+]1C ZINC001030339370 680398340 /nfs/dbraw/zinc/39/83/40/680398340.db2.gz QEDLUIZCCOIXIB-RBUKOAKNSA-N 1 0 359.901 2.222 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC1C[NH+](CCc2csc(C)n2)C1 ZINC001032040460 680411770 /nfs/dbraw/zinc/41/17/70/680411770.db2.gz DYGZPIMLBDNOGT-ROUUACIJSA-N 1 0 363.527 2.413 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]CCn2cc(Cl)cn2)C1 ZINC001000435608 680431893 /nfs/dbraw/zinc/43/18/93/680431893.db2.gz PVKMZJNEPAECFH-ULQDDVLXSA-N 1 0 366.893 2.098 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]C[C@@H]2CCCOC2)CC1 ZINC001034647681 680436503 /nfs/dbraw/zinc/43/65/03/680436503.db2.gz VNADAXLOZGMNKO-FKSLSLAPSA-N 1 0 350.503 2.411 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)NCCOc1ccc(Br)cc1 ZINC000836259409 680442135 /nfs/dbraw/zinc/44/21/35/680442135.db2.gz ICZGDSDCFIHFDT-UHFFFAOYSA-N 1 0 368.275 2.082 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1ncc(Cl)n1C ZINC001035074587 680442912 /nfs/dbraw/zinc/44/29/12/680442912.db2.gz AVYQTVXWVIMQSS-KEYYUXOJSA-N 1 0 366.893 2.135 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1C[N@H+](CCCC2CCC2)CCO1 ZINC001035370614 680445116 /nfs/dbraw/zinc/44/51/16/680445116.db2.gz NRBLRLXQKJLARR-OTWHNJEPSA-N 1 0 350.503 2.365 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC([N@H+](C)C[C@H]2CCOC2)CC1 ZINC000985693235 680470650 /nfs/dbraw/zinc/47/06/50/680470650.db2.gz SOOKXJWASNLBBG-NEWSRXKRSA-N 1 0 350.503 2.317 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)N1CCC[C@H](CC(=O)OC(C)(C)C)C1 ZINC000836488775 680476078 /nfs/dbraw/zinc/47/60/78/680476078.db2.gz NKGBHRZUJXXPSK-MRXNPFEDSA-N 1 0 351.491 2.095 20 30 FEEDRO CC[C@@H](C(=O)N1CC[C@H]2CN(c3snc(Cl)c3C#N)C[C@H]21)[NH+](C)C ZINC001040671398 680482448 /nfs/dbraw/zinc/48/24/48/680482448.db2.gz PTYVDJAFDYKRQS-WCFLWFBJSA-N 1 0 367.906 2.045 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC2(C1)CC[NH+]([C@H](C)COC)CC2 ZINC001040882109 680492734 /nfs/dbraw/zinc/49/27/34/680492734.db2.gz YKHMMCCDBPCDAA-SQNIBIBYSA-N 1 0 350.503 2.317 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)[C@@H](C)[C@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000756841033 680501377 /nfs/dbraw/zinc/50/13/77/680501377.db2.gz GDRPMLQFOULIQZ-GJZGRUSLSA-N 1 0 351.491 2.140 20 30 FEEDRO C[C@@H]1CC(N=Nc2ccc(S(N)(=O)=O)cc2)C[N@@H+]1Cc1ccccc1 ZINC000757560134 680526083 /nfs/dbraw/zinc/52/60/83/680526083.db2.gz DFZTUYYLQPFXRK-CQSZACIVSA-N 1 0 358.467 2.396 20 30 FEEDRO C[C@@H]1CN(c2nc(C#N)c(Cl)s2)C[C@H]1NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001042633672 680537168 /nfs/dbraw/zinc/53/71/68/680537168.db2.gz GSQLRTNYKNVCQW-RAIGVLPGSA-N 1 0 367.906 2.093 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CC[NH+](CCC[C@H]2CCOC2)CC1 ZINC001003789363 680542414 /nfs/dbraw/zinc/54/24/14/680542414.db2.gz UVYDLSGSGQLCDA-WDSOQIARSA-N 1 0 350.503 2.365 20 30 FEEDRO C=C(Cl)C(C)(C)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[N@H+]1C)C2 ZINC001003861358 680544443 /nfs/dbraw/zinc/54/44/43/680544443.db2.gz BDGBCUJHAMKEJD-LVQVYYBASA-N 1 0 367.921 2.498 20 30 FEEDRO C[N@@H+]1CCCC(=NNS(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000758095635 680555200 /nfs/dbraw/zinc/55/52/00/680555200.db2.gz XVGDWRKOFFUVAM-UHFFFAOYSA-N 1 0 360.277 2.199 20 30 FEEDRO C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1Nc1snc(Cl)c1C#N ZINC001043095266 680560470 /nfs/dbraw/zinc/56/04/70/680560470.db2.gz LGYHOVCMKRRVGI-YUSALJHKSA-N 1 0 353.879 2.021 20 30 FEEDRO C=C(CO)C(=O)N1CCC([NH+]2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000837216187 680569458 /nfs/dbraw/zinc/56/94/58/680569458.db2.gz SNWLDTBVLWZGAM-UHFFFAOYSA-N 1 0 363.889 2.002 20 30 FEEDRO C[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1Nc1snc(Cl)c1C#N ZINC001043251201 680569527 /nfs/dbraw/zinc/56/95/27/680569527.db2.gz LPGAUDHHERXLMA-NTZNESFSSA-N 1 0 367.906 2.269 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1CC[NH+](C[C@@H]2CCCOC2)CC1 ZINC001005405789 680574200 /nfs/dbraw/zinc/57/42/00/680574200.db2.gz HDOYDRNCNIWHTF-UHOSZYNNSA-N 1 0 350.503 2.317 20 30 FEEDRO Cc1nsc(N[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@H]2C)c1C#N ZINC001043439382 680582092 /nfs/dbraw/zinc/58/20/92/680582092.db2.gz HGEUBANGFLPAQT-IUODEOHRSA-N 1 0 361.515 2.456 20 30 FEEDRO Cc1nsc(N[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@H]2C)c1C#N ZINC001043614711 680591052 /nfs/dbraw/zinc/59/10/52/680591052.db2.gz BLASHXKLWLBSGQ-IUODEOHRSA-N 1 0 359.499 2.210 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)c2c(Br)nc3n2CCCC3)CC1 ZINC000837399123 680597559 /nfs/dbraw/zinc/59/75/59/680597559.db2.gz BSYLPBHGHNBDMJ-UHFFFAOYSA-N 1 0 367.291 2.362 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C2(CNC(=O)OC(C)(C)C)CC2)CC1 ZINC000759073089 680625119 /nfs/dbraw/zinc/62/51/19/680625119.db2.gz RGVBWQOHZOAKBU-UHFFFAOYSA-N 1 0 351.491 2.448 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)NC1(C)CC[NH+](CC[C@H]2CCOC2)CC1 ZINC001045442735 680629707 /nfs/dbraw/zinc/62/97/07/680629707.db2.gz OBUSYUHPSWPTNA-KSZLIROESA-N 1 0 350.503 2.365 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)NC1(C)CC[NH+](CCC[C@@H]2CCOC2)CC1 ZINC001045564110 680634686 /nfs/dbraw/zinc/63/46/86/680634686.db2.gz VUJMAUUFZRQODK-KURKYZTESA-N 1 0 350.503 2.365 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC2(CO1)CC[NH+](C/C=C/Cl)CC2 ZINC001045678064 680638158 /nfs/dbraw/zinc/63/81/58/680638158.db2.gz JSXHYILUNINGMQ-AFAWHGIASA-N 1 0 368.905 2.317 20 30 FEEDRO Cc1nc(NC(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)sc1Cc1ccc(F)cc1 ZINC000841240485 680870734 /nfs/dbraw/zinc/87/07/34/680870734.db2.gz KNNHIEUBGWUCPV-JSGCOSHPSA-N 1 0 359.430 2.415 20 30 FEEDRO CC[C@@H](C#N)Oc1cccc(CNC(=O)N[C@@H](CC[NH3+])C(F)(F)F)c1 ZINC000841334395 680873596 /nfs/dbraw/zinc/87/35/96/680873596.db2.gz CIWDXFQCGBTMBF-JSGCOSHPSA-N 1 0 358.364 2.446 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C2(C)CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000841389488 680876725 /nfs/dbraw/zinc/87/67/25/680876725.db2.gz ATJQDAQRIIQLHI-UHFFFAOYSA-N 1 0 351.491 2.400 20 30 FEEDRO C#C[C@H](NC(=O)N[C@@H]1CC[NH2+]C[C@H]1C)c1ccc(Br)cc1 ZINC000841990363 680920444 /nfs/dbraw/zinc/92/04/44/680920444.db2.gz XJTWGZPIUMAOMW-BYCMXARLSA-N 1 0 350.260 2.421 20 30 FEEDRO C#C[C@@H](NC(=O)NC[C@]1(COC)CCC[NH2+]1)c1ccc(Cl)cc1F ZINC000841998966 680920735 /nfs/dbraw/zinc/92/07/35/680920735.db2.gz XFEUIODDZHXHQO-WBVHZDCISA-N 1 0 353.825 2.221 20 30 FEEDRO C=CCNc1ncc(C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)s1 ZINC000771021123 681037009 /nfs/dbraw/zinc/03/70/09/681037009.db2.gz PFUQXLHAVZSPQN-CQSZACIVSA-N 1 0 350.488 2.114 20 30 FEEDRO C[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCN1c1nc(Cl)c(C#N)s1 ZINC001050388154 681047019 /nfs/dbraw/zinc/04/70/19/681047019.db2.gz BVSSIFBEEQQYSW-PWSUYJOCSA-N 1 0 367.906 2.093 20 30 FEEDRO C[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)CCN1c1snc(Cl)c1C#N ZINC001050454634 681048395 /nfs/dbraw/zinc/04/83/95/681048395.db2.gz MIYXONQCQVSQCF-MDZLAQPJSA-N 1 0 367.906 2.093 20 30 FEEDRO C=CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H]1CCCO[C@H]1C(C)C)O2 ZINC001053603633 681101043 /nfs/dbraw/zinc/10/10/43/681101043.db2.gz SGJHYLMYUCCTPA-BZSNNMDCSA-N 1 0 350.503 2.363 20 30 FEEDRO C=C(Cl)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1OC[C@@H]3COCC[C@H]13)C2 ZINC001054170565 681106284 /nfs/dbraw/zinc/10/62/84/681106284.db2.gz GODNNMXNIFMDBE-IMBTUZDBSA-N 1 0 368.905 2.105 20 30 FEEDRO Cc1nsc(NC[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C[C@H]2C)c1C#N ZINC001054473132 681110695 /nfs/dbraw/zinc/11/06/95/681110695.db2.gz HQIRKJKGOVOPEG-DJSGYFEHSA-N 1 0 361.515 2.170 20 30 FEEDRO C#CCN(CC)C(=O)C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000845830413 681155600 /nfs/dbraw/zinc/15/56/00/681155600.db2.gz DMPFZOQFPKRRKR-UHFFFAOYSA-N 1 0 359.495 2.295 20 30 FEEDRO C#CC[N@H+](C)CCCNS(=O)(=O)c1sc(Br)cc1C ZINC000845940587 681163760 /nfs/dbraw/zinc/16/37/60/681163760.db2.gz XJSKXFUAKGFJSS-UHFFFAOYSA-N 1 0 365.318 2.052 20 30 FEEDRO C[C@@H]1[C@H](C(=O)N[C@@H]2CCCN(c3nc(C#N)c(Cl)s3)C2)CC[N@@H+]1C ZINC001058257945 681169628 /nfs/dbraw/zinc/16/96/28/681169628.db2.gz JMSJGYHWFLXUEQ-IJLUTSLNSA-N 1 0 367.906 2.093 20 30 FEEDRO C=C(Cl)C(C)(C)C(=O)N1CCC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000944040733 681191547 /nfs/dbraw/zinc/19/15/47/681191547.db2.gz NZNXDDQMXJLZLC-BPLDGKMQSA-N 1 0 355.910 2.213 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](C[C@@H](C)OC)C[C@H]2CC1 ZINC000946595342 681244570 /nfs/dbraw/zinc/24/45/70/681244570.db2.gz UIIYEMOOTYFNRB-FQBWVUSXSA-N 1 0 350.503 2.173 20 30 FEEDRO C[C@H](COCC1CCCCC1)[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000932422128 681245794 /nfs/dbraw/zinc/24/57/94/681245794.db2.gz HQRMJCRDQWZKEE-OAHLLOKOSA-N 1 0 365.499 2.302 20 30 FEEDRO CCOC[C@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932943875 681332395 /nfs/dbraw/zinc/33/23/95/681332395.db2.gz QCOQNEKZFGYBMC-HLTSFMKQSA-N 1 0 371.268 2.487 20 30 FEEDRO OCCOCC[N@@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932945450 681332922 /nfs/dbraw/zinc/33/29/22/681332922.db2.gz XINIVIOSCOYXMH-OCAPTIKFSA-N 1 0 357.241 2.098 20 30 FEEDRO OCCOCC[NH+]1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932945449 681333010 /nfs/dbraw/zinc/33/30/10/681333010.db2.gz XINIVIOSCOYXMH-HTQZYQBOSA-N 1 0 357.241 2.098 20 30 FEEDRO COC(=O)N1CCC[C@H]([C@H](C)[NH2+]CC(=O)Nc2sccc2C#N)C1 ZINC000775809973 681337630 /nfs/dbraw/zinc/33/76/30/681337630.db2.gz ISHAVBWTUQZWFE-AAEUAGOBSA-N 1 0 350.444 2.015 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)Cn2nc(C(F)F)cc2C(F)F)CC1 ZINC000933356228 681399400 /nfs/dbraw/zinc/39/94/00/681399400.db2.gz VZBYXNUOBKECSX-UHFFFAOYSA-N 1 0 360.355 2.362 20 30 FEEDRO CN(Cc1cc(C#N)cs1)CC(O)C[N@H+](C)Cc1cc(C#N)cs1 ZINC000933773334 681466461 /nfs/dbraw/zinc/46/64/61/681466461.db2.gz KDRGSSCHEVJSQV-UHFFFAOYSA-N 1 0 360.508 2.478 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N[C@H](C)c2ccncc2Br)CC1 ZINC000874637827 685443313 /nfs/dbraw/zinc/44/33/13/685443313.db2.gz TZGZUGCQFCVPBP-GFCCVEGCSA-N 1 0 350.260 2.367 20 30 FEEDRO C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@H](C)C1CCN(C(=O)OCC)CC1 ZINC000777639195 681516217 /nfs/dbraw/zinc/51/62/17/681516217.db2.gz CCFYJXYEVUKUTP-CVEARBPZSA-N 1 0 351.491 2.422 20 30 FEEDRO CN(C)S(=O)(=O)c1ccccc1N=NC1CCC[N@@H+]2CCCC[C@H]12 ZINC000848410062 681536703 /nfs/dbraw/zinc/53/67/03/681536703.db2.gz IFHMFTBRUASDQG-MRXNPFEDSA-N 1 0 350.488 2.353 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)Nc2c(Br)cnn2C2CC2)CC1 ZINC000934363843 681557027 /nfs/dbraw/zinc/55/70/27/681557027.db2.gz YKWRHOOOYQSSKY-UHFFFAOYSA-N 1 0 366.263 2.200 20 30 FEEDRO COc1ccc(C#N)cc1C[NH+]1CCC(CN=[S@](C)(=O)N(C)C)CC1 ZINC000934754905 681622560 /nfs/dbraw/zinc/62/25/60/681622560.db2.gz OAIDFPUZRMTYES-VWLOTQADSA-N 1 0 364.515 2.353 20 30 FEEDRO C=CCS(=O)(=O)CCNC(=[NH2+])Nc1cc(OCC)ccc1OCC ZINC000849079037 681650314 /nfs/dbraw/zinc/65/03/14/681650314.db2.gz NMKSZLITGSODCR-UHFFFAOYSA-N 1 0 355.460 2.021 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)N1CC2(C1)CCN(C(=O)OC(C)(C)C)CC2 ZINC000913806403 685485624 /nfs/dbraw/zinc/48/56/24/685485624.db2.gz QFPYMLOVIXKUIH-UHFFFAOYSA-N 1 0 351.491 2.354 20 30 FEEDRO C[C@H](C#N)Oc1ccc(C[NH2+]CCS(=O)(=O)CC(F)(F)F)cc1 ZINC000850364340 681892002 /nfs/dbraw/zinc/89/20/02/681892002.db2.gz BJCAPSDPSSYSMS-LLVKDONJSA-N 1 0 350.362 2.044 20 30 FEEDRO C=CCN(Cc1cccc(C#N)c1)S(=O)(=O)C[C@@]12CC[N@H+](C1)CCC2 ZINC000913993226 685491493 /nfs/dbraw/zinc/49/14/93/685491493.db2.gz STLYDSJXPRJIQF-IBGZPJMESA-N 1 0 359.495 2.362 20 30 FEEDRO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000850587746 681919823 /nfs/dbraw/zinc/91/98/23/681919823.db2.gz IUAUYIULVFSIFC-ZDUSSCGKSA-N 1 0 371.434 2.357 20 30 FEEDRO C=CCOc1ccccc1CNS(=O)(=O)C[C@@]12CC[N@H+](C1)CCC2 ZINC000914092543 685494200 /nfs/dbraw/zinc/49/42/00/685494200.db2.gz KWYHJPMOYOYBBF-SFHVURJKSA-N 1 0 350.484 2.157 20 30 FEEDRO C=C(Cl)C(C)(C)C(=O)N1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC000939491027 681986201 /nfs/dbraw/zinc/98/62/01/681986201.db2.gz QURNIENIJSBGCS-GDBMZVCRSA-N 1 0 369.937 2.460 20 30 FEEDRO CC(=NNC(=S)NCCC[NH+](C)C)c1ccc([N+](=O)[O-])cc1Cl ZINC000782226313 682019162 /nfs/dbraw/zinc/01/91/62/682019162.db2.gz YIXJZRVRPYKBOA-UHFFFAOYSA-N 1 0 357.867 2.388 20 30 FEEDRO CC1(C)C[N@H+](Cc2ccc(C#N)s2)CC[C@H]1NC(=O)[C@]12C[C@H]1COC2 ZINC000940759078 682080494 /nfs/dbraw/zinc/08/04/94/682080494.db2.gz FTZAKUHFMHUOIR-CRFBAAHOSA-N 1 0 359.495 2.373 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)NC1CC(C[NH2+]Cc2cnc(Cl)s2)C1 ZINC000962322382 682116044 /nfs/dbraw/zinc/11/60/44/682116044.db2.gz WGGXAVQZACPKSJ-QUINOFQRSA-N 1 0 355.891 2.372 20 30 FEEDRO CCOP(=O)(OCC)[C@@H](O)C[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000851745200 682117867 /nfs/dbraw/zinc/11/78/67/682117867.db2.gz CBTHAOLCOCJBOO-QGZVFWFLSA-N 1 0 367.386 2.265 20 30 FEEDRO C#C[C@](C)(CC)[NH2+][C@H](C)C(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1 ZINC000852100402 682220047 /nfs/dbraw/zinc/22/00/47/682220047.db2.gz HHZGEEFZFIZCEY-RDTXWAMCSA-N 1 0 365.499 2.092 20 30 FEEDRO C=CC[N@H+](CC(=O)NCC(=O)Nc1ccccc1Br)C(C)C ZINC000917167159 685530187 /nfs/dbraw/zinc/53/01/87/685530187.db2.gz XQHXBKWIUPSQSR-UHFFFAOYSA-N 1 0 368.275 2.400 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)NC[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000852359748 682266218 /nfs/dbraw/zinc/26/62/18/682266218.db2.gz LWUSKDOJQJILJW-HNNXBMFYSA-N 1 0 358.269 2.281 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)NC[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000852359749 682266174 /nfs/dbraw/zinc/26/61/74/682266174.db2.gz LWUSKDOJQJILJW-OAHLLOKOSA-N 1 0 358.269 2.281 20 30 FEEDRO O=C(C#CC1CC[NH2+]CC1)NCC(=O)Nc1cc(Cl)ccc1Cl ZINC000852802570 682344964 /nfs/dbraw/zinc/34/49/64/682344964.db2.gz QMJJKWNDUHVRDD-UHFFFAOYSA-N 1 0 354.237 2.051 20 30 FEEDRO O=C(C#CC1CC[NH2+]CC1)N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 ZINC000852831838 682348327 /nfs/dbraw/zinc/34/83/27/682348327.db2.gz YGHWZIUUOAIKDW-QGZVFWFLSA-N 1 0 350.821 2.382 20 30 FEEDRO COC(=O)CCSCc1cccc(NC(=O)C#CC2CC[NH2+]CC2)c1 ZINC000852835940 682348956 /nfs/dbraw/zinc/34/89/56/682348956.db2.gz NZKGDCBMFHLSCP-UHFFFAOYSA-N 1 0 360.479 2.424 20 30 FEEDRO O=C(C#CC1CC[NH2+]CC1)NCCCNc1ccc(C(F)(F)F)cn1 ZINC000852859485 682350712 /nfs/dbraw/zinc/35/07/12/682350712.db2.gz VGVPFJYEDBXZNG-UHFFFAOYSA-N 1 0 354.376 2.022 20 30 FEEDRO O=C(C#CC1CC[NH2+]CC1)NCc1cccc(COCC(F)(F)F)c1 ZINC000852890185 682353911 /nfs/dbraw/zinc/35/39/11/682353911.db2.gz SLUHPIWWMOZOJS-UHFFFAOYSA-N 1 0 354.372 2.385 20 30 FEEDRO C=C(Cl)CN(C)[C@@H]1CCN(C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC000971551793 682358645 /nfs/dbraw/zinc/35/86/45/682358645.db2.gz LYVDXLGCFAUWDH-KURKYZTESA-N 1 0 369.937 2.019 20 30 FEEDRO C=C(Cl)C(C)(C)C(=O)N1C[C@H]2CCN(C(=O)C[N@H+]3CCC[C@H]3C)C[C@H]21 ZINC000972339382 682407361 /nfs/dbraw/zinc/40/73/61/682407361.db2.gz DQADDDNLUFDVPI-FVQBIDKESA-N 1 0 367.921 2.309 20 30 FEEDRO C#CCN(CC(=O)OC(C)(C)C)C(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000853684231 682456142 /nfs/dbraw/zinc/45/61/42/682456142.db2.gz NRFBQHOENKPLQA-INIZCTEOSA-N 1 0 351.491 2.093 20 30 FEEDRO CC[NH+]1CCN([C@H](C)CNc2cc(Br)cnc2C#N)CC1 ZINC000787898116 682488522 /nfs/dbraw/zinc/48/85/22/682488522.db2.gz XIDZHLJSBYZOGK-GFCCVEGCSA-N 1 0 352.280 2.154 20 30 FEEDRO C=CCS(=O)(=O)CC[NH2+][C@@H]1CCCCC[C@H]1NC(=O)OC(C)(C)C ZINC000788256958 682515185 /nfs/dbraw/zinc/51/51/85/682515185.db2.gz LBYPAAYLOTYMEH-HUUCEWRRSA-N 1 0 360.520 2.403 20 30 FEEDRO C#CC[C@]1(C(=O)NCC[C@@H](C)[NH+](C)C)CCCN1C(=O)OC(C)(C)C ZINC000855415446 682667572 /nfs/dbraw/zinc/66/75/72/682667572.db2.gz ICRSTQDQAJMBTB-DNVCBOLYSA-N 1 0 351.491 2.236 20 30 FEEDRO C#C[C@@H](CCC)NC(=O)C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000792449239 682811296 /nfs/dbraw/zinc/81/12/96/682811296.db2.gz JWLYJCIBFPSTTD-INIZCTEOSA-N 1 0 359.495 2.092 20 30 FEEDRO C#CCN1CCC[C@H]1C(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000792556615 682820358 /nfs/dbraw/zinc/82/03/58/682820358.db2.gz VWIKLBMKSDMMSZ-GPANFISMSA-N 1 0 357.420 2.006 20 30 FEEDRO Cn1c(CC#N)nn(CN2CCC[N@H+](Cc3ccccc3)CC2)c1=S ZINC000794616913 682984193 /nfs/dbraw/zinc/98/41/93/682984193.db2.gz PAYKWYUMYYTACB-UHFFFAOYSA-N 1 0 356.499 2.183 20 30 FEEDRO Cc1cccc(C[NH+]2CCN(Cn3nc(CC#N)n(C)c3=S)CC2)c1 ZINC000794616928 682984360 /nfs/dbraw/zinc/98/43/60/682984360.db2.gz PCVPUVFUVZNZTF-UHFFFAOYSA-N 1 0 356.499 2.101 20 30 FEEDRO C#CCCN1CCN(C(=O)c2nc(C(F)(F)F)n3c2CCCC3)CC1 ZINC000859003838 683024775 /nfs/dbraw/zinc/02/47/75/683024775.db2.gz VSYBXIJSEWVODN-UHFFFAOYSA-N 1 0 354.376 2.019 20 30 FEEDRO [NH3+]CC[C@H](NC(=O)N1CC[C@@]2(CC(F)(F)C2(F)F)C1)C(F)(F)F ZINC000926169836 683087379 /nfs/dbraw/zinc/08/73/79/683087379.db2.gz NCTPOUPGEDMEBV-IONNQARKSA-N 1 0 351.266 2.342 20 30 FEEDRO [NH3+]CC[C@@H](NC(=O)N1CC[C@]2(CC(F)(F)C2(F)F)C1)C(F)(F)F ZINC000926169832 683087464 /nfs/dbraw/zinc/08/74/64/683087464.db2.gz NCTPOUPGEDMEBV-APPZFPTMSA-N 1 0 351.266 2.342 20 30 FEEDRO C=C(C)[C@H](CC(=O)N[C@@H]1C[C@@]2(C[N@H+](CC)[C@@H]2C(C)C)C[C@H]1O)OCC ZINC000926260087 683100282 /nfs/dbraw/zinc/10/02/82/683100282.db2.gz WRWFCIGMOOKZHC-VROUVPMXSA-N 1 0 352.519 2.344 20 30 FEEDRO C#CCCOc1ccc(C[NH2+]C[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)cc1 ZINC000796485847 683164856 /nfs/dbraw/zinc/16/48/56/683164856.db2.gz OSJJKECHGCFLAE-HKUYNNGSSA-N 1 0 364.511 2.286 20 30 FEEDRO C#CCOc1ccc([C@@H](C)[NH2+]C[C@H]2CCCCN2S(C)(=O)=O)cc1 ZINC000797121463 683224089 /nfs/dbraw/zinc/22/40/89/683224089.db2.gz ZNXVCMKBDRAFFG-NVXWUHKLSA-N 1 0 350.484 2.163 20 30 FEEDRO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)OC(C)(C)C)[C@H](CC)C2)C1=O ZINC000799145857 683427277 /nfs/dbraw/zinc/42/72/77/683427277.db2.gz OLBQOWZWWPNBLX-PMPSAXMXSA-N 1 0 351.491 2.399 20 30 FEEDRO C[NH+](C)CC[C@@H](NS(=O)(=O)c1ccc(C#N)c(F)c1)c1cccnc1 ZINC000921479533 683481196 /nfs/dbraw/zinc/48/11/96/683481196.db2.gz LPDBRQJJECECBX-QGZVFWFLSA-N 1 0 362.430 2.064 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)Cc2ccc(Br)c(F)c2)CC1 ZINC000928655442 683482223 /nfs/dbraw/zinc/48/22/23/683482223.db2.gz WNWTWWBLDDARPJ-UHFFFAOYSA-N 1 0 353.235 2.345 20 30 FEEDRO N#Cc1ccc(N2CCC([NH2+]Cc3nc(Br)c[nH]3)CC2)nc1 ZINC000921672073 683538663 /nfs/dbraw/zinc/53/86/63/683538663.db2.gz RLLMFBRJTPLFGG-UHFFFAOYSA-N 1 0 361.247 2.197 20 30 FEEDRO C#CCN(C(=O)NCCc1nc2c(s1)CCCC2)C1CC[NH+](C)CC1 ZINC000921724260 683557985 /nfs/dbraw/zinc/55/79/85/683557985.db2.gz PSMFUOOHBXGXDZ-UHFFFAOYSA-N 1 0 360.527 2.303 20 30 FEEDRO C#CCN(C(=O)C(=O)N[C@H](C)c1cc(C)sc1C)C1CC[NH+](C)CC1 ZINC000929413953 683591829 /nfs/dbraw/zinc/59/18/29/683591829.db2.gz AMWBJHILJBCMJL-CQSZACIVSA-N 1 0 361.511 2.098 20 30 FEEDRO C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cccc2ccc(C)nc21 ZINC000922022941 683639120 /nfs/dbraw/zinc/63/91/20/683639120.db2.gz DYPPBLQGKDCHSK-UHFFFAOYSA-N 1 0 357.479 2.261 20 30 FEEDRO N#Cc1ncc(Br)cc1N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000863477584 683731390 /nfs/dbraw/zinc/73/13/90/683731390.db2.gz PZBPSKYRFBWTDA-CQSZACIVSA-N 1 0 365.275 2.311 20 30 FEEDRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)Nc3ccc(C#N)cc3Cl)CC2)C1 ZINC000930433853 683731695 /nfs/dbraw/zinc/73/16/95/683731695.db2.gz DYHSDFFRJIDGMI-HNNXBMFYSA-N 1 0 361.877 2.455 20 30 FEEDRO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)NCC(C)(C)CCC#N)C2 ZINC000922486171 683733387 /nfs/dbraw/zinc/73/33/87/683733387.db2.gz PWTDKOGPVGDUNM-JEWRLFTDSA-N 1 0 350.507 2.095 20 30 FEEDRO Cn1nccc1[C@@H]1[C@@H]([NH2+]Cc2csc(C#N)c2)CCC(=O)N1C1CC1 ZINC000922519775 683739748 /nfs/dbraw/zinc/73/97/48/683739748.db2.gz XEQSBFBIARSBAD-YJBOKZPZSA-N 1 0 355.467 2.338 20 30 FEEDRO N#Cc1ccccc1OC[C@H](O)C[NH2+]C[C@@H](O)c1ccc(Cl)c(F)c1 ZINC000863561153 683742573 /nfs/dbraw/zinc/74/25/73/683742573.db2.gz CLMKVMBDQVIBLP-RHSMWYFYSA-N 1 0 364.804 2.414 20 30 FEEDRO N#CC1(C[C@H](O)C[NH2+]C[C@H](O)c2cc(F)cc(Cl)c2)CCOCC1 ZINC000863562927 683742783 /nfs/dbraw/zinc/74/27/83/683742783.db2.gz NGQZUXFDSWPJHA-HOTGVXAUSA-N 1 0 356.825 2.173 20 30 FEEDRO N#CC[C@@H](O)CN1CCC([NH+]2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000930679462 683769930 /nfs/dbraw/zinc/76/99/30/683769930.db2.gz FGECNIIOMTVVAR-LJQANCHMSA-N 1 0 362.905 2.201 20 30 FEEDRO CCCCCCC[C@]1(C)NC(=O)N(NC(=O)C[N@H+](C)C2CCC2)C1=O ZINC000863852130 683784194 /nfs/dbraw/zinc/78/41/94/683784194.db2.gz LHLDSHBYBGERCA-SFHVURJKSA-N 1 0 352.479 2.173 20 30 FEEDRO C#CCOCC[NH+]1CCC(N(C(=O)C(F)(F)F)c2cccnc2)CC1 ZINC000931003148 683816791 /nfs/dbraw/zinc/81/67/91/683816791.db2.gz WRIJDGZWVIRBPJ-UHFFFAOYSA-N 1 0 355.360 2.091 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)Nc2cc(Cl)c(F)c(C(=O)OC)c2)CC1 ZINC000931078460 683828322 /nfs/dbraw/zinc/82/83/22/683828322.db2.gz WJJVPHHILSDRBL-UHFFFAOYSA-N 1 0 367.808 2.485 20 30 FEEDRO C=C(Cl)C[C@@H]1NC(=O)N(CCc2ccc(OCC[NH+](C)C)cc2)C1=O ZINC000865301786 683964263 /nfs/dbraw/zinc/96/42/63/683964263.db2.gz MPSYDYSLLRHZGD-INIZCTEOSA-N 1 0 365.861 2.233 20 30 FEEDRO O=C(NCC[NH2+]Cc1ccccc1CC(F)(F)F)C1N=CC=CC1=O ZINC000865463349 683986118 /nfs/dbraw/zinc/98/61/18/683986118.db2.gz YTTWHBGWTHCUCT-FOCLMDBBSA-N 1 0 353.344 2.407 20 30 FEEDRO COC(=O)CC[N@@H+]1CCN(c2cc(C(F)(F)F)cc(C#N)n2)[C@@H](C)C1 ZINC000865655436 684010901 /nfs/dbraw/zinc/01/09/01/684010901.db2.gz BBGWPKVFXBMYAP-NSHDSACASA-N 1 0 356.348 2.046 20 30 FEEDRO N#Cc1cc(S(=O)(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)ccc1C(F)(F)F ZINC000866822230 684161181 /nfs/dbraw/zinc/16/11/81/684161181.db2.gz ALVKVLPGWBFTTQ-UONOGXRCSA-N 1 0 359.373 2.092 20 30 FEEDRO C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC1=CC[N@H+](C)CC1 ZINC000867229518 684229846 /nfs/dbraw/zinc/22/98/46/684229846.db2.gz JOIXKZLXSRDOOL-CQSZACIVSA-N 1 0 357.882 2.400 20 30 FEEDRO N#Cc1ccsc1NC(=O)CCN1CCC([N@@H+]2CCCOCC2)CC1 ZINC000931293218 684256730 /nfs/dbraw/zinc/25/67/30/684256730.db2.gz UPUCEKBGIOVQAI-UHFFFAOYSA-N 1 0 362.499 2.135 20 30 FEEDRO C[NH+]1CCC(OCC(=O)N[C@@H](C#N)c2cccc(Br)c2)CC1 ZINC000931300400 684257708 /nfs/dbraw/zinc/25/77/08/684257708.db2.gz VYKTWDOKHASRBD-HNNXBMFYSA-N 1 0 366.259 2.241 20 30 FEEDRO C#CCN1CCC[C@@H](NC(=O)c2ccc(NC(=O)N(C)C)cc2Cl)C1 ZINC000923570110 684306738 /nfs/dbraw/zinc/30/67/38/684306738.db2.gz IIOLSIHJYNQKFY-CQSZACIVSA-N 1 0 362.861 2.261 20 30 FEEDRO C[NH+](C)CC#CCNC(=O)Nc1nc2c(s1)CC1(CCOCC1)CC2 ZINC000931670607 684325349 /nfs/dbraw/zinc/32/53/49/684325349.db2.gz MGTFVRKOCSEGSP-UHFFFAOYSA-N 1 0 362.499 2.115 20 30 FEEDRO C[C@@]1([C@H]2CCC[N@H+](CCC(=O)Nc3sccc3C#N)C2)COC(=O)N1 ZINC000932026544 684392853 /nfs/dbraw/zinc/39/28/53/684392853.db2.gz SPROSAQYVIFGGD-GUYCJALGSA-N 1 0 362.455 2.159 20 30 FEEDRO C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC2(C[NH+](C)C2)C1 ZINC000867834172 684404750 /nfs/dbraw/zinc/40/47/50/684404750.db2.gz RUONONWZCGZXBU-ZDUSSCGKSA-N 1 0 357.882 2.186 20 30 FEEDRO N#Cc1cccc([C@H](NC(=O)N[C@H](CC[NH3+])C(F)F)C(F)(F)F)c1 ZINC000868210598 684464605 /nfs/dbraw/zinc/46/46/05/684464605.db2.gz PYDIUGZUOAGVBS-MNOVXSKESA-N 1 0 350.291 2.443 20 30 FEEDRO CSC1(CNC(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)CC[NH+](C)CC1 ZINC000868627774 684519884 /nfs/dbraw/zinc/51/98/84/684519884.db2.gz XTLHFSIILMIIDN-QGZVFWFLSA-N 1 0 358.511 2.152 20 30 FEEDRO N#CCc1ccsc1C(=O)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000869241409 684596452 /nfs/dbraw/zinc/59/64/52/684596452.db2.gz FNGZIGBSJQNXNV-QGZVFWFLSA-N 1 0 355.463 2.311 20 30 FEEDRO Cc1ccc(S(=O)(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)c(C#N)c1 ZINC000871805672 684858239 /nfs/dbraw/zinc/85/82/39/684858239.db2.gz NTSWSEGGAGFDGH-DLBZAZTESA-N 1 0 359.426 2.121 20 30 FEEDRO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000871815446 684861890 /nfs/dbraw/zinc/86/18/90/684861890.db2.gz HPGWYMODOKATOI-SUMWQHHRSA-N 1 0 361.492 2.311 20 30 FEEDRO C=CCNC(=O)C[NH2+][C@@H](c1cccc(Br)c1)[C@H]1CCOC1 ZINC000872058297 684917307 /nfs/dbraw/zinc/91/73/07/684917307.db2.gz QTJJKTLYADPLQQ-BBRMVZONSA-N 1 0 353.260 2.419 20 30 FEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC(C(=O)Nc2ccc(F)cc2)CC1 ZINC000876640213 686234658 /nfs/dbraw/zinc/23/46/58/686234658.db2.gz NMRRPGAQFRRCLP-OAHLLOKOSA-N 1 0 353.825 2.473 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N(C)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000876657887 686238011 /nfs/dbraw/zinc/23/80/11/686238011.db2.gz VRQVUXAIGBOZKX-GXTWGEPZSA-N 1 0 356.253 2.374 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[C@@H]1C(=O)Nc1cc(C)ccc1OC ZINC000876669206 686240295 /nfs/dbraw/zinc/24/02/95/686240295.db2.gz DQBRMYYKZQXWKL-DZGCQCFKSA-N 1 0 365.861 2.403 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC2(C[C@H]2C(=O)N2CCCCC2)CC1 ZINC000876902455 686291735 /nfs/dbraw/zinc/29/17/35/686291735.db2.gz CQKMBFUQLOTBBY-GJZGRUSLSA-N 1 0 353.894 2.098 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)Nc1cc2c(cc1C(=O)OC)OCCCO2 ZINC000877195134 686338297 /nfs/dbraw/zinc/33/82/97/686338297.db2.gz GJRKVUXZRYAVTN-NSHDSACASA-N 1 0 354.790 2.043 20 30 FEEDRO CC(C)(C)S(=O)(=O)N1CCC([NH2+]Cc2cc(C#N)cnc2Cl)CC1 ZINC000877475256 686384737 /nfs/dbraw/zinc/38/47/37/686384737.db2.gz FOXSGMCPXHWPSM-UHFFFAOYSA-N 1 0 370.906 2.289 20 30 FEEDRO CCOC(=O)N1CCC(C)(C[NH+]2CCC(C#N)(C(=O)OC)CC2)CC1 ZINC000877566999 686410588 /nfs/dbraw/zinc/41/05/88/686410588.db2.gz SGPLETMLOKOJQS-UHFFFAOYSA-N 1 0 351.447 2.024 20 30 FEEDRO C[C@H]([NH2+][C@H]1C[C@H](NC(=O)OC(C)(C)C)C1(C)C)C(=O)N(C)CCC#N ZINC000878828498 686670346 /nfs/dbraw/zinc/67/03/46/686670346.db2.gz XRUAIBGNYNHSPK-IHRRRGAJSA-N 1 0 352.479 2.028 20 30 FEEDRO CN=[S@](C)(=O)c1cccc(NC(=O)N(CCC#N)CCC[NH+](C)C)c1 ZINC000879838331 686922623 /nfs/dbraw/zinc/92/26/23/686922623.db2.gz QCNDDIMUXTXTRX-RUZDIDTESA-N 1 0 365.503 2.472 20 30 FEEDRO N#CCSCCC[N@H+]1CC[C@]2(C1)CN(Cc1ccccc1)C(=O)CO2 ZINC000880496462 687054785 /nfs/dbraw/zinc/05/47/85/687054785.db2.gz WLLGIPYOIUALGE-IBGZPJMESA-N 1 0 359.495 2.137 20 30 FEEDRO C[NH+]1CCN(c2ccc(CNC(=O)c3sccc3CC#N)cc2)CC1 ZINC000881854524 687235117 /nfs/dbraw/zinc/23/51/17/687235117.db2.gz FLFMODTUWNBYOY-UHFFFAOYSA-N 1 0 354.479 2.496 20 30 FEEDRO C[C@@H]1COCC[N@@H+]1C1CCN(c2ncc(C#N)cc2Br)CC1 ZINC000882539878 687388923 /nfs/dbraw/zinc/38/89/23/687388923.db2.gz FVBHVFWWLAAWJP-GFCCVEGCSA-N 1 0 365.275 2.405 20 30 FEEDRO N#Cc1cnc(N2CCC[C@H]([NH+]3CCOCC3)CC2)c(Br)c1 ZINC000882547917 687389895 /nfs/dbraw/zinc/38/98/95/687389895.db2.gz BJFCEJBXRDOYCX-AWEZNQCLSA-N 1 0 365.275 2.407 20 30 FEEDRO CC1([NH+]2CCC2)CCN(S(=O)(=O)Cc2ccc(C#N)cc2F)CC1 ZINC000882768082 687479975 /nfs/dbraw/zinc/47/99/75/687479975.db2.gz PDUSHWSKTJHANQ-UHFFFAOYSA-N 1 0 351.447 2.087 20 30 FEEDRO N#Cc1nc(NC(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)ccc1Br ZINC000883092647 687562057 /nfs/dbraw/zinc/56/20/57/687562057.db2.gz VNNVCMFKZWOWBK-LLVKDONJSA-N 1 0 362.231 2.194 20 30 FEEDRO C[C@@H](NC(=O)Nc1ccc(Br)c(C#N)n1)C1=CC[N@H+](C)CC1 ZINC000883101684 687564786 /nfs/dbraw/zinc/56/47/86/687564786.db2.gz QNKSJZGEISEMBF-SNVBAGLBSA-N 1 0 364.247 2.488 20 30 FEEDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)Nc1ccc(Br)c(C#N)n1 ZINC000883113750 687569130 /nfs/dbraw/zinc/56/91/30/687569130.db2.gz CAEVSPPCKSBOLD-JTQLQIEISA-N 1 0 352.236 2.274 20 30 FEEDRO C=CCC(C)(C)CNC(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC000883665590 687695834 /nfs/dbraw/zinc/69/58/34/687695834.db2.gz ONRBCOWABAZUFE-UHFFFAOYSA-N 1 0 350.507 2.104 20 30 FEEDRO N#C[C@H]1C[NH2+]CC12CC(C(=O)NC[C@H](O)c1ccc(Cl)cc1Cl)C2 ZINC000884134831 687797545 /nfs/dbraw/zinc/79/75/45/687797545.db2.gz SZKXDRUDTJPSJO-WOSAUXGSSA-N 1 0 368.264 2.282 20 30 FEEDRO N#C[C@@H]1C[NH2+]CC12CC(C(=O)NC[C@H](O)c1cc3ccccc3s1)C2 ZINC000884140253 687798975 /nfs/dbraw/zinc/79/89/75/687798975.db2.gz NZYPYDTWBSPWKE-QXGUJMOYSA-N 1 0 355.463 2.190 20 30 FEEDRO C#CCN(C(=O)c1cn(-c2cccc(Cl)c2)nn1)C1CC[NH+](C)CC1 ZINC000886577297 688278834 /nfs/dbraw/zinc/27/88/34/688278834.db2.gz CSGUYWVDLANWIW-UHFFFAOYSA-N 1 0 357.845 2.090 20 30 FEEDRO C#CCN(C(=O)c1ccnc(OCC(F)(F)F)c1)C1CC[NH+](C)CC1 ZINC000886581172 688279542 /nfs/dbraw/zinc/27/95/42/688279542.db2.gz LYDAEKBRNXKSPU-UHFFFAOYSA-N 1 0 355.360 2.192 20 30 FEEDRO C#CCN(C(=O)COc1ccccc1Br)C1CC[NH+](C)CC1 ZINC000886578863 688279694 /nfs/dbraw/zinc/27/96/94/688279694.db2.gz OSZCNJRRYOROTR-UHFFFAOYSA-N 1 0 365.271 2.384 20 30 FEEDRO C#CCN(C(=O)Cc1csc(-c2ccccn2)n1)C1CC[NH+](C)CC1 ZINC000886587416 688280028 /nfs/dbraw/zinc/28/00/28/688280028.db2.gz VJNVYNCKKNWTNQ-UHFFFAOYSA-N 1 0 354.479 2.304 20 30 FEEDRO C=CCC1(O)CC[NH+]([C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@]2(C)O)CC1 ZINC000886778604 688309548 /nfs/dbraw/zinc/30/95/48/688309548.db2.gz JNWGAJWXALOKPA-CRAIPNDOSA-N 1 0 354.491 2.150 20 30 FEEDRO CCN(C(=O)C(=O)Nc1ccccc1S[C@@H](C)CC#N)[C@H]1CC[NH2+]C1 ZINC000886997236 688352649 /nfs/dbraw/zinc/35/26/49/688352649.db2.gz JOQWQNUJLYHZAQ-KBPBESRZSA-N 1 0 360.483 2.230 20 30 FEEDRO C#CCC1([NH2+]C[C@@H](O)COc2ccc(Br)cc2)CCOCC1 ZINC000887127526 688370411 /nfs/dbraw/zinc/37/04/11/688370411.db2.gz RLQJHSSYWKJFFW-OAHLLOKOSA-N 1 0 368.271 2.351 20 30 FEEDRO CN(Cc1cc(C#N)cs1)C(=O)c1cccc(N2CC[NH+](C)CC2)n1 ZINC000887970330 688527796 /nfs/dbraw/zinc/52/77/96/688527796.db2.gz YNHFYTWXODVGFD-UHFFFAOYSA-N 1 0 355.467 2.039 20 30 FEEDRO C=C(Br)CNC(=O)N1CC[NH2+]C[C@@H]1c1cccc(OC)c1 ZINC000891443191 689063080 /nfs/dbraw/zinc/06/30/80/689063080.db2.gz BTWTVSZPCDTPPX-CQSZACIVSA-N 1 0 354.248 2.260 20 30 FEEDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]C2CCN(CC#N)CC2)C[C@H]1C(F)(F)F ZINC000892908212 689263244 /nfs/dbraw/zinc/26/32/44/689263244.db2.gz DCDTUVCHRKEJEJ-RRFJBIMHSA-N 1 0 361.408 2.474 20 30 FEEDRO C[C@]1(Br)C[C@@H]1C[NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000894005541 689447586 /nfs/dbraw/zinc/44/75/86/689447586.db2.gz KSUOIQOIIVRERK-VYDXJSESSA-N 1 0 362.271 2.422 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]C1CCN(CCNC(=O)OC(C)(C)C)CC1 ZINC000895006131 689638880 /nfs/dbraw/zinc/63/88/80/689638880.db2.gz MIFATEIHHBFYFD-RDJZCZTQSA-N 1 0 353.507 2.156 20 30 FEEDRO CSc1ccc([C@H](CNC(=O)N2CCO[C@@](C)(C#N)C2)[NH+](C)C)cc1 ZINC000895058198 689650356 /nfs/dbraw/zinc/65/03/56/689650356.db2.gz JNNZIEFCUQXCKA-WMZOPIPTSA-N 1 0 362.499 2.335 20 30 FEEDRO C=C(C)COc1cc(C[N@@H+]2C[C@@H](C)[C@H](CS(N)(=O)=O)C2)ccc1OC ZINC000897611023 690048668 /nfs/dbraw/zinc/04/86/68/690048668.db2.gz ZHJFBBDWQXRRGR-ZBFHGGJFSA-N 1 0 368.499 2.007 20 30 FEEDRO C#C[C@@H](NC(=O)C1C[NH+](C2CCOCC2)C1)c1ccc(Cl)cc1F ZINC000897734498 690071858 /nfs/dbraw/zinc/07/18/58/690071858.db2.gz GOAQOKMONQKESK-QGZVFWFLSA-N 1 0 350.821 2.380 20 30 FEEDRO C#CCOc1ccccc1C[NH2+]Cc1cccc(N(C)S(C)(=O)=O)c1 ZINC000898288882 690154774 /nfs/dbraw/zinc/15/47/74/690154774.db2.gz QGAUBYWNBZOHHS-UHFFFAOYSA-N 1 0 358.463 2.384 20 30 FEEDRO C#CCOc1ccccc1C[NH+]1CCC(CN=[S@](C)(=O)N(C)C)CC1 ZINC000898398402 690175562 /nfs/dbraw/zinc/17/55/62/690175562.db2.gz FIJJJQGGIZLORQ-VWLOTQADSA-N 1 0 363.527 2.485 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)Nc1ccc(C)c(S(=O)(=O)N(CC)CC)c1 ZINC000899932957 690443421 /nfs/dbraw/zinc/44/34/21/690443421.db2.gz GQBVCAAQAGPOGH-UHFFFAOYSA-N 1 0 367.515 2.472 20 30 FEEDRO N#CC1(CN[C@@H](C[NH+]2CCC(C(N)=O)CC2)c2ccc(Cl)cc2)CC1 ZINC000903106399 690844800 /nfs/dbraw/zinc/84/48/00/690844800.db2.gz PFDZDRIDKGGGNU-KRWDZBQOSA-N 1 0 360.889 2.472 20 30 FEEDRO C[C@@H](CCNS(=O)(=O)c1ccccc1)[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000903230505 690871400 /nfs/dbraw/zinc/87/14/00/690871400.db2.gz DPGPTIGBUPMJKF-GJZGRUSLSA-N 1 0 358.467 2.361 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2CCC(C[NH3+])(c3ccccc3)CC2)s1 ZINC000903532809 690913968 /nfs/dbraw/zinc/91/39/68/690913968.db2.gz PGCRXZXWLCQTGH-UHFFFAOYSA-N 1 0 361.492 2.301 20 30 FEEDRO N#Cc1c(Cl)cccc1S(=O)(=O)N1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000903579726 690928372 /nfs/dbraw/zinc/92/83/72/690928372.db2.gz PXFCJEHINFZSCW-KOLCDFICSA-N 1 0 367.780 2.112 20 30 FEEDRO Cc1cc(S(=O)(=O)N2C[C@H](C[NH3+])Cc3cc(F)ccc32)ccc1C#N ZINC000903588332 690932807 /nfs/dbraw/zinc/93/28/07/690932807.db2.gz JMBCDHSPYNXICI-ZDUSSCGKSA-N 1 0 359.426 2.332 20 30 FEEDRO C=CCN(C(=O)Nc1ccc(C(C)(C)[NH3+])cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000904586159 691036030 /nfs/dbraw/zinc/03/60/30/691036030.db2.gz FANRNYHCJFMLAA-OAHLLOKOSA-N 1 0 351.472 2.087 20 30 FEEDRO C[C@](O)(C[NH2+]CC(=O)Nc1ccc(F)c(F)c1)C(F)(F)C(F)(F)F ZINC000905038340 691060046 /nfs/dbraw/zinc/06/00/46/691060046.db2.gz AJMZJQZVLFGFSL-NSHDSACASA-N 1 0 362.245 2.442 20 30 FEEDRO N#Cc1ccc(-c2cccc(C[NH2+]C[C@H](O)C[C@]3(O)CCOC3)c2)s1 ZINC000905134735 691072239 /nfs/dbraw/zinc/07/22/39/691072239.db2.gz OHBKJGXETSZMTE-VQIMIIECSA-N 1 0 358.463 2.279 20 30 FEEDRO C[C@@](O)(C[NH2+]CCn1ccc(C(F)(F)F)n1)C(F)(F)C(F)(F)F ZINC000905408582 691115801 /nfs/dbraw/zinc/11/58/01/691115801.db2.gz PXOQYYYDLTWMQY-MRVPVSSYSA-N 1 0 355.229 2.440 20 30 FEEDRO Cn1nc(Br)c2c1ncnc2N=NC1C[C@H]2CCC[N@@H+](C1)C2 ZINC000905445837 691119478 /nfs/dbraw/zinc/11/94/78/691119478.db2.gz ZNMOXCFYOJYYLC-SECBINFHSA-N 1 0 364.251 2.009 20 30 FEEDRO COc1ccc(F)cc1CC[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000905479159 691123818 /nfs/dbraw/zinc/12/38/18/691123818.db2.gz RKCUMDVCNCBDNW-UHFFFAOYSA-N 1 0 362.426 2.312 20 30 FEEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@H]1C[NH2+]CC1(C)C ZINC000906709242 691304994 /nfs/dbraw/zinc/30/49/94/691304994.db2.gz VOSSLLGSWKYWKO-DOMZBBRYSA-N 1 0 360.483 2.134 20 30 FEEDRO C#Cc1ccc(S(=O)(=O)NCc2ccc(OCC[NH+](C)C)cc2)cc1 ZINC000906846136 691327248 /nfs/dbraw/zinc/32/72/48/691327248.db2.gz OYUWBHQRVIRYIT-UHFFFAOYSA-N 1 0 358.463 2.087 20 30 FEEDRO C=C(C)Cn1c(-c2cnsn2)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC000909312626 691806154 /nfs/dbraw/zinc/80/61/54/691806154.db2.gz ULPKGLSLABZICT-UHFFFAOYSA-N 1 0 359.503 2.437 20 30 FEEDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nccc(OC)c1C#N)C2 ZINC001164814365 720100868 /nfs/dbraw/zinc/10/08/68/720100868.db2.gz SDAGLHRWHIGOES-JXFKEZNVSA-N 1 0 356.470 2.147 20 30 FEEDRO Cc1nc(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)ccc1C#N ZINC001164828914 720328061 /nfs/dbraw/zinc/32/80/61/720328061.db2.gz KNLVMYQAHCIMQP-RTBURBONSA-N 1 0 367.497 2.173 20 30 FEEDRO N#Cc1ccc([N+](=O)[O-])c(N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)n1 ZINC001164725987 720380452 /nfs/dbraw/zinc/38/04/52/720380452.db2.gz OIQILEPZNHGSLZ-CVEARBPZSA-N 1 0 350.382 2.110 20 30 FEEDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1ncc3c(C#N)c[nH]c3n1)[C@@H]2C ZINC001164859870 720986427 /nfs/dbraw/zinc/98/64/27/720986427.db2.gz MXGLVJVGWSZODW-CYBMUJFWSA-N 1 0 364.457 2.447 20 30 FEEDRO Cc1ccc(C#N)c(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164891894 721393231 /nfs/dbraw/zinc/39/32/31/721393231.db2.gz RJMOVONTNSXJLC-PZJWPPBQSA-N 1 0 369.513 2.027 20 30 FEEDRO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2C(F)(F)c1ccnc(Cl)c1C#N ZINC001164928561 721851231 /nfs/dbraw/zinc/85/12/31/721851231.db2.gz OLOPKZZCCDPZAA-CABCVRRESA-N 1 0 369.847 2.366 20 30 FEEDRO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2C(F)(F)c1cc(Cl)ncc1C#N ZINC001164921478 721865658 /nfs/dbraw/zinc/86/56/58/721865658.db2.gz CYNKAQFVWWERAZ-HUUCEWRRSA-N 1 0 369.847 2.366 20 30 FEEDRO N#Cc1c(F)cccc1-n1ccc(NC(=O)N[C@H]2CC[NH2+]C23CCC3)n1 ZINC000528690821 887614183 /nfs/dbraw/zinc/61/41/83/887614183.db2.gz ZWSLTSYKFIWXHF-HNNXBMFYSA-N 1 0 354.389 2.289 20 30 FEEDRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000076269258 542252847 /nfs/dbraw/zinc/25/28/47/542252847.db2.gz UMJYUWUUNDUMOA-LLVKDONJSA-N 1 0 370.375 2.362 20 30 FEEDRO CC(C)[C@H](CNC(=O)C(=O)Nc1ccc(C#N)cc1)[NH+]1CCC(C)CC1 ZINC000041593355 540026092 /nfs/dbraw/zinc/02/60/92/540026092.db2.gz JUDSDCRJVCNTMX-SFHVURJKSA-N 1 0 356.470 2.369 20 30 FEEDRO CC[NH+](CC)CCCNC(=O)C1CCN(c2nnc(C)c(C)c2C#N)CC1 ZINC000045802246 540228592 /nfs/dbraw/zinc/22/85/92/540228592.db2.gz TXZWCSQJSMPQTL-UHFFFAOYSA-N 1 0 372.517 2.030 20 30 FEEDRO N#Cc1ccccc1N1CCC[N@@H+](CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000046086935 540241515 /nfs/dbraw/zinc/24/15/15/540241515.db2.gz ULDCOBIINNVTNO-UHFFFAOYSA-N 1 0 374.444 2.367 20 30 FEEDRO CCN1CC[NH+](CCCCNC(=O)N(C)Cc2ccc(C#N)cc2)CC1 ZINC000046753590 540269575 /nfs/dbraw/zinc/26/95/75/540269575.db2.gz VHNSPIGMDRDVEX-UHFFFAOYSA-N 1 0 357.502 2.117 20 30 FEEDRO C=CCOc1ccc(C(=O)NC[C@@H](C)N2CC[NH+](CC)CC2)cc1OC ZINC000046947925 540278959 /nfs/dbraw/zinc/27/89/59/540278959.db2.gz SDDZFRIJIDMNBA-MRXNPFEDSA-N 1 0 361.486 2.016 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc([S@@](C)=O)cc1 ZINC000047011746 540284588 /nfs/dbraw/zinc/28/45/88/540284588.db2.gz TUMFJWICEWRKLA-SANMLTNESA-N 1 0 369.490 2.500 20 30 FEEDRO Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000047144131 540292684 /nfs/dbraw/zinc/29/26/84/540292684.db2.gz WURHJDIFOGEYLB-AWEZNQCLSA-N 1 0 368.485 2.141 20 30 FEEDRO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1cccc(C#N)c1)c1cccc(F)c1 ZINC000048843547 540375015 /nfs/dbraw/zinc/37/50/15/540375015.db2.gz XQHJUVXCVZSNBO-KRWDZBQOSA-N 1 0 354.385 2.055 20 30 FEEDRO N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@H](C(=O)N3CCCCC3)C2)cc1 ZINC000051557655 540437442 /nfs/dbraw/zinc/43/74/42/540437442.db2.gz YJADKINUSHOORB-OALUTQOASA-N 1 0 371.481 2.022 20 30 FEEDRO CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCC(C(=O)Nc2ccccc2)CC1 ZINC000051918583 540447853 /nfs/dbraw/zinc/44/78/53/540447853.db2.gz UQWJGOLRZCVWKZ-INIZCTEOSA-N 1 0 356.470 2.345 20 30 FEEDRO Cc1csc(N2CC[NH+](CCC(=O)Nc3ccc(C#N)cc3)CC2)n1 ZINC000052662586 540480591 /nfs/dbraw/zinc/48/05/91/540480591.db2.gz JDJIFGJYOMQXEJ-UHFFFAOYSA-N 1 0 355.467 2.474 20 30 FEEDRO CC[NH+](CC)CCC[C@@H](C)NC(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C ZINC000052818783 540490837 /nfs/dbraw/zinc/49/08/37/540490837.db2.gz DZWJMRCHVZXKOL-CQSZACIVSA-N 1 0 360.502 2.423 20 30 FEEDRO N#Cc1cccc(NC(=O)CC[N@@H+]2CCC[C@H](C(=O)NCC3CC3)C2)c1 ZINC000052931289 540500900 /nfs/dbraw/zinc/50/09/00/540500900.db2.gz CAAXLSOHNQWCOG-KRWDZBQOSA-N 1 0 354.454 2.125 20 30 FEEDRO Cc1csc(=O)n1CCN1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000054454805 540591146 /nfs/dbraw/zinc/59/11/46/540591146.db2.gz DEEDEKAAZMFXNN-UHFFFAOYSA-N 1 0 356.495 2.298 20 30 FEEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000054851223 540614797 /nfs/dbraw/zinc/61/47/97/540614797.db2.gz GTWDOGQXHHZFMH-HNNXBMFYSA-N 1 0 372.469 2.132 20 30 FEEDRO N#Cc1ccsc1NC(=O)CC[NH+]1CCN(c2ccc(O)cc2)CC1 ZINC000057439696 540796515 /nfs/dbraw/zinc/79/65/15/540796515.db2.gz QUUYPCMNVANSQV-UHFFFAOYSA-N 1 0 356.451 2.476 20 30 FEEDRO C[C@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)CCOc1ccc(C#N)cc1 ZINC000057842865 540818967 /nfs/dbraw/zinc/81/89/67/540818967.db2.gz SAEVQENPBCVBTQ-CQSZACIVSA-N 1 0 359.451 2.277 20 30 FEEDRO Cc1ccccc1C[NH+]1CCC(NC(=O)CN2CCC(C#N)CC2)CC1 ZINC000057875355 540821106 /nfs/dbraw/zinc/82/11/06/540821106.db2.gz GUQLEFIBQLURIR-UHFFFAOYSA-N 1 0 354.498 2.311 20 30 FEEDRO C=C(C)COc1cc(C[NH2+]CCCN(C)S(C)(=O)=O)ccc1OC ZINC000057962776 540825301 /nfs/dbraw/zinc/82/53/01/540825301.db2.gz YKTNLYFUHQQZPI-UHFFFAOYSA-N 1 0 356.488 2.021 20 30 FEEDRO COc1cc(C#N)ccc1OCC(=O)N[C@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000060016028 540867450 /nfs/dbraw/zinc/86/74/50/540867450.db2.gz NPAZCFPJZSRALB-OWCLPIDISA-N 1 0 359.470 2.428 20 30 FEEDRO Cc1nn(C)c(C)c1CCC(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000065930897 541273200 /nfs/dbraw/zinc/27/32/00/541273200.db2.gz GYFYTLWQXVWIKT-UHFFFAOYSA-N 1 0 367.497 2.432 20 30 FEEDRO C=CCNC(=O)NC(=O)C[NH+]1CCC(c2c[nH]c3ccc(OC)cc32)CC1 ZINC000066436791 541318541 /nfs/dbraw/zinc/31/85/41/541318541.db2.gz XXWXHVZKDBXXMD-UHFFFAOYSA-N 1 0 370.453 2.368 20 30 FEEDRO N#CCCN(C(=O)CCC(=O)N1CCC[N@@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000066622605 541348919 /nfs/dbraw/zinc/34/89/19/541348919.db2.gz SLBVXDZULNBJTA-LJQANCHMSA-N 1 0 368.481 2.410 20 30 FEEDRO CCOc1ccc(C#N)cc1NC(=O)C(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000067326506 541445156 /nfs/dbraw/zinc/44/51/56/541445156.db2.gz NFTBMVBJBDXJLW-HNNXBMFYSA-N 1 0 372.469 2.276 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N2CCC[C@H]2c2nnc3n2CCCCC3)CC1 ZINC000067708641 541502833 /nfs/dbraw/zinc/50/28/33/541502833.db2.gz WYFRXUQGHNVUKJ-KRWDZBQOSA-N 1 0 355.486 2.013 20 30 FEEDRO C=CCOc1cccc(NC(=O)C(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)c1 ZINC000067763873 541509825 /nfs/dbraw/zinc/50/98/25/541509825.db2.gz HAEPODBZPDHDRR-MRXNPFEDSA-N 1 0 359.470 2.427 20 30 FEEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cccc2c1OCO2 ZINC000068310049 541574980 /nfs/dbraw/zinc/57/49/80/541574980.db2.gz MNXWXWDNWOFENY-UHFFFAOYSA-N 1 0 351.406 2.491 20 30 FEEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc([S@@](C)=O)cc1 ZINC000068310423 541575108 /nfs/dbraw/zinc/57/51/08/541575108.db2.gz LSZWOMRBUFKOPJ-SANMLTNESA-N 1 0 369.490 2.500 20 30 FEEDRO CC[C@@H](C)[C@@H](NC(=O)C[N@H+](Cc1ccc(C#N)cc1)C(C)C)C(=O)OC ZINC000069520645 541693251 /nfs/dbraw/zinc/69/32/51/541693251.db2.gz PLLRDTINEWTEBP-DNVCBOLYSA-N 1 0 359.470 2.473 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)Nc2ccnn2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000068102570 205094623 /nfs/dbraw/zinc/09/46/23/205094623.db2.gz WCJKARHRPOWPLC-UHFFFAOYSA-N 1 0 353.382 2.064 20 30 FEEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](C)C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000055749243 205223849 /nfs/dbraw/zinc/22/38/49/205223849.db2.gz QPYZMQCWPONWBV-SOUVJXGZSA-N 1 0 372.513 2.279 20 30 FEEDRO CCCCc1nc(CO[NH+]=C(N)c2ccc(N3CCC(O)CC3)cc2)no1 ZINC000072921444 541894160 /nfs/dbraw/zinc/89/41/60/541894160.db2.gz YKAQZSJMSSGKOJ-UHFFFAOYSA-N 1 0 373.457 2.210 20 30 FEEDRO C[NH+]=C(NCCc1ccccn1)NCc1cc(Cl)c2c(c1)OCCO2 ZINC000073419507 541951832 /nfs/dbraw/zinc/95/18/32/541951832.db2.gz IRWRUQCYQCPAFV-UHFFFAOYSA-N 1 0 360.845 2.414 20 30 FEEDRO C=CCc1ccccc1OC[C@@H](O)C[NH+]1CCC(C(=O)N2CCCC2)CC1 ZINC000073507241 541960077 /nfs/dbraw/zinc/96/00/77/541960077.db2.gz VJTCLTAXXXTTDW-FQEVSTJZSA-N 1 0 372.509 2.489 20 30 FEEDRO CN(C)C(=O)C1CC[NH+](CCC(=O)Nc2sc3c(c2C#N)CCC3)CC1 ZINC000074021748 542026591 /nfs/dbraw/zinc/02/65/91/542026591.db2.gz RFITVTWFWPITPU-UHFFFAOYSA-N 1 0 374.510 2.237 20 30 FEEDRO CN(C(=O)NC1CCN(CC#N)CC1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000074878000 542133562 /nfs/dbraw/zinc/13/35/62/542133562.db2.gz HDYDUDLYLYSYFX-HXUWFJFHSA-N 1 0 369.513 2.280 20 30 FEEDRO COCC[N@H+](C)CCCNC(=O)c1cc(C2CC2)nc(SC)c1C#N ZINC000075665399 542196563 /nfs/dbraw/zinc/19/65/63/542196563.db2.gz FMQMFZBSITWSDC-UHFFFAOYSA-N 1 0 362.499 2.251 20 30 FEEDRO COCCNC(=[NH2+])NCc1cc(Br)ccc1OC(F)F ZINC000076105714 542232798 /nfs/dbraw/zinc/23/27/98/542232798.db2.gz LKKJNVANYVWZIT-UHFFFAOYSA-N 1 0 352.179 2.101 20 30 FEEDRO CN(CC(=O)N[C@](C)(C#N)C1CC1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076109771 542234224 /nfs/dbraw/zinc/23/42/24/542234224.db2.gz QJZFLFPQOUIYHE-GHTZIAJQSA-N 1 0 354.498 2.249 20 30 FEEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000076333942 542262743 /nfs/dbraw/zinc/26/27/43/542262743.db2.gz GLRDJLKBMPJCDL-ZIAGYGMSSA-N 1 0 372.494 2.372 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccccc2OCC(C)C)CC1 ZINC000076512911 542288310 /nfs/dbraw/zinc/28/83/10/542288310.db2.gz MVCFECDCTAHYNY-UHFFFAOYSA-N 1 0 359.470 2.427 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccccc2Br)CC1 ZINC000076512987 542288610 /nfs/dbraw/zinc/28/86/10/542288610.db2.gz FTYXXZWYQIRRDF-UHFFFAOYSA-N 1 0 366.259 2.154 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(N3CCCC3)c(F)c2)CC1 ZINC000076512831 542288639 /nfs/dbraw/zinc/28/86/39/542288639.db2.gz YGEFNRSVDYVJHX-UHFFFAOYSA-N 1 0 374.460 2.131 20 30 FEEDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)Nc2ccc(F)c(C#N)c2)C1 ZINC000077541612 542395175 /nfs/dbraw/zinc/39/51/75/542395175.db2.gz PZAPNWIROFZHKB-CYBMUJFWSA-N 1 0 360.433 2.263 20 30 FEEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000077817125 542423837 /nfs/dbraw/zinc/42/38/37/542423837.db2.gz WXMWNWDETDSABS-KGLIPLIRSA-N 1 0 360.483 2.087 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)NCc1c(C)cc(C)[nH]c1=O)C(C)C ZINC000078982588 542492183 /nfs/dbraw/zinc/49/21/83/542492183.db2.gz TUDCKZIUBMTBCV-GOSISDBHSA-N 1 0 360.502 2.490 20 30 FEEDRO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](OCCCc2ccccc2)C1 ZINC000079503393 542523062 /nfs/dbraw/zinc/52/30/62/542523062.db2.gz JRQQFSXLHZLUNI-AEFFLSMTSA-N 1 0 359.470 2.110 20 30 FEEDRO COC(=O)[C@H](C)[C@@H]([NH2+]CC(=O)NC1(C#N)CCCCC1)c1ccccc1 ZINC000079922009 542550304 /nfs/dbraw/zinc/55/03/04/542550304.db2.gz ONVYQIATJVULIR-CRAIPNDOSA-N 1 0 357.454 2.469 20 30 FEEDRO C[NH+]1CCC(C#N)(NC(=O)CCNC(=O)c2ccc3ccccc3c2)CC1 ZINC000080012307 542558283 /nfs/dbraw/zinc/55/82/83/542558283.db2.gz NICJLNLLIWUVGG-UHFFFAOYSA-N 1 0 364.449 2.064 20 30 FEEDRO CCOc1c(Cl)cc(C(=O)NC2(C#N)CC[NH+](C)CC2)cc1OC ZINC000080011831 542558300 /nfs/dbraw/zinc/55/83/00/542558300.db2.gz NTDIMNABWSIQST-UHFFFAOYSA-N 1 0 351.834 2.465 20 30 FEEDRO C=C(C)CN(CC)C(=O)C[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1 ZINC000080927340 542616148 /nfs/dbraw/zinc/61/61/48/542616148.db2.gz LSIKTXQFMPTOEM-QGZVFWFLSA-N 1 0 358.486 2.465 20 30 FEEDRO Cc1cc(C#N)ccc1S(=O)(=O)NC1CC[NH+](CCOC(C)C)CC1 ZINC000080822097 542610817 /nfs/dbraw/zinc/61/08/17/542610817.db2.gz ULNJAKRZLXJEPQ-UHFFFAOYSA-N 1 0 365.499 2.034 20 30 FEEDRO COc1ccc([C@@H](CNC(=O)c2cc(C#N)cn2C)[NH+]2CCCC2)cc1 ZINC000080940479 542617466 /nfs/dbraw/zinc/61/74/66/542617466.db2.gz WIXJEHPNJRYCTO-LJQANCHMSA-N 1 0 352.438 2.472 20 30 FEEDRO C[N@H+](C[C@@H](O)COc1ccc(C#N)cc1)C1CCN(c2ccccn2)CC1 ZINC000080968597 542620423 /nfs/dbraw/zinc/62/04/23/542620423.db2.gz AWZLJWJXDSLWDH-LJQANCHMSA-N 1 0 366.465 2.294 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CC[C@@](O)(C(F)(F)F)C1)C(C)C ZINC000081478410 542659446 /nfs/dbraw/zinc/65/94/46/542659446.db2.gz DPBHJHZCEDMXDL-HOCLYGCPSA-N 1 0 363.424 2.394 20 30 FEEDRO CNC(=O)[C@H](C)C[N@H+](C)[C@@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000081528569 542663298 /nfs/dbraw/zinc/66/32/98/542663298.db2.gz UTRGTCWZWZNBHQ-SJORKVTESA-N 1 0 358.486 2.253 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H]2CCCN(c3ccccc3F)C2=O)CC1 ZINC000090561693 542786162 /nfs/dbraw/zinc/78/61/62/542786162.db2.gz OONNNGUUYFQABL-QGZVFWFLSA-N 1 0 374.460 2.271 20 30 FEEDRO Cn1ncnc1NC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000091186115 542797053 /nfs/dbraw/zinc/79/70/53/542797053.db2.gz VYPRTJAIPBQYKB-DLBZAZTESA-N 1 0 354.458 2.347 20 30 FEEDRO C=CCNC(=O)c1ccc(N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)nc1 ZINC000091478644 542810060 /nfs/dbraw/zinc/81/00/60/542810060.db2.gz DTAFOZZCAOYBAJ-CALCHBBNSA-N 1 0 372.513 2.323 20 30 FEEDRO CN(C)C(=O)c1ccc(C[NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)[nH]1 ZINC000092854363 542892395 /nfs/dbraw/zinc/89/23/95/542892395.db2.gz PGBKGOSNSIPVJG-UHFFFAOYSA-N 1 0 367.453 2.463 20 30 FEEDRO CN(CCC#N)C(=O)CC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccccc1 ZINC000092798949 542888234 /nfs/dbraw/zinc/88/82/34/542888234.db2.gz VLSANLFWXGHJNY-SFHVURJKSA-N 1 0 356.470 2.033 20 30 FEEDRO CC[NH+]1CCN(CCC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC1 ZINC000101633234 543038535 /nfs/dbraw/zinc/03/85/35/543038535.db2.gz PSUWTKRLWQRIJG-UHFFFAOYSA-N 1 0 367.415 2.201 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1cccc(-n2cnnn2)c1)C(C)C ZINC000101684427 543041194 /nfs/dbraw/zinc/04/11/94/543041194.db2.gz RZQMDAXXRILORS-SFHVURJKSA-N 1 0 354.458 2.091 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)Nc2cccc(CSCC(=O)OC)c2)CC1 ZINC000103051460 543089884 /nfs/dbraw/zinc/08/98/84/543089884.db2.gz RUVKFQPTRDZMKD-UHFFFAOYSA-N 1 0 360.479 2.377 20 30 FEEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2C[C@@H](C(N)=O)CC[C@@H]2C)c1 ZINC000103284602 543101265 /nfs/dbraw/zinc/10/12/65/543101265.db2.gz HSHXCCXHNRLVKK-IRXDYDNUSA-N 1 0 356.470 2.136 20 30 FEEDRO N#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@H](c3nnc4n3CCC4)C2)cc1 ZINC000103466753 543108928 /nfs/dbraw/zinc/10/89/28/543108928.db2.gz GGKXIGJXVBWTST-INIZCTEOSA-N 1 0 364.453 2.304 20 30 FEEDRO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000104074980 543122137 /nfs/dbraw/zinc/12/21/37/543122137.db2.gz UPLRABOLOGAYLU-NWDGAFQWSA-N 1 0 360.483 2.023 20 30 FEEDRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)NCc2cccc(C#N)c2)CC1 ZINC000105119788 543159969 /nfs/dbraw/zinc/15/99/69/543159969.db2.gz WCOGXSKKWPDPNU-HDICACEKSA-N 1 0 369.513 2.258 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CCCCN2C(=O)c2ccco2)CC1 ZINC000106034778 543186039 /nfs/dbraw/zinc/18/60/39/543186039.db2.gz DLNIREIIRAIYSW-KRWDZBQOSA-N 1 0 359.470 2.431 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)CCCN2C(=O)c3ccccc3C2=O)CC1 ZINC000106040615 543186760 /nfs/dbraw/zinc/18/67/60/543186760.db2.gz VWZGJCDXMAPAGJ-UHFFFAOYSA-N 1 0 369.465 2.220 20 30 FEEDRO N#Cc1ccc(OCC[N@@H+]2CCCN(Cc3noc(C4CC4)n3)CC2)cc1 ZINC000106151744 543209286 /nfs/dbraw/zinc/20/92/86/543209286.db2.gz KCHMNRVSZJCKPX-UHFFFAOYSA-N 1 0 367.453 2.405 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)NCCCN(C)CC(F)(F)F)CC1 ZINC000106264522 543221822 /nfs/dbraw/zinc/22/18/22/543221822.db2.gz BUFJDNBSLNSOQV-UHFFFAOYSA-N 1 0 350.429 2.210 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(OCCC(=O)NC)cc2)CC1 ZINC000106326331 543222969 /nfs/dbraw/zinc/22/29/69/543222969.db2.gz BUYVOLLAKBJLIG-UHFFFAOYSA-N 1 0 374.485 2.364 20 30 FEEDRO COc1ccccc1[C@@H](CNC(=O)N1CCO[C@@H](C#N)C1)[NH+]1CCCCC1 ZINC000106333935 543223342 /nfs/dbraw/zinc/22/33/42/543223342.db2.gz UFSOGTOVMKGGOM-FUHWJXTLSA-N 1 0 372.469 2.156 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cccc(OC(F)F)c2)CC1 ZINC000106349339 543224533 /nfs/dbraw/zinc/22/45/33/543224533.db2.gz HRHNEVQXNFJKOY-UHFFFAOYSA-N 1 0 367.396 2.383 20 30 FEEDRO C=CCN1C(=O)c2ccc(C(=O)N[C@@H]3CC[N@@H+](C4CCCC4)C3)cc2C1=O ZINC000106789966 543247429 /nfs/dbraw/zinc/24/74/29/543247429.db2.gz MBTSAXKPKXJKOO-OAHLLOKOSA-N 1 0 367.449 2.215 20 30 FEEDRO CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000106581850 543239456 /nfs/dbraw/zinc/23/94/56/543239456.db2.gz CHMAWCHAZSQSCP-KRWDZBQOSA-N 1 0 357.502 2.114 20 30 FEEDRO C[NH+]1CCC(CNC(=O)N[C@H]2CCCN(c3ccccc3C#N)C2)CC1 ZINC000109174085 543316736 /nfs/dbraw/zinc/31/67/36/543316736.db2.gz KIVOLSWIOUXFGC-SFHVURJKSA-N 1 0 355.486 2.168 20 30 FEEDRO O=C(C[N@H+]1CCCC[C@H]1CCO)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000111240221 543388221 /nfs/dbraw/zinc/38/82/21/543388221.db2.gz LLEMQARISGHDAA-KRWDZBQOSA-N 1 0 368.399 2.410 20 30 FEEDRO C[NH+](C)[C@H]1CCCN(CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC000111248575 543388901 /nfs/dbraw/zinc/38/89/01/543388901.db2.gz QAHJTSAITFGOAQ-KRWDZBQOSA-N 1 0 367.415 2.199 20 30 FEEDRO C=CC1CC[NH+](CC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)OC)CC1 ZINC000111256641 543389778 /nfs/dbraw/zinc/38/97/78/543389778.db2.gz BYBPVYZKYKUHFF-LJQANCHMSA-N 1 0 369.465 2.266 20 30 FEEDRO C=CCOc1ccccc1CNC(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000111886118 543423579 /nfs/dbraw/zinc/42/35/79/543423579.db2.gz QXJYTEXNDJZRNX-UHFFFAOYSA-N 1 0 374.529 2.419 20 30 FEEDRO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)C)C1 ZINC000112701003 543458470 /nfs/dbraw/zinc/45/84/70/543458470.db2.gz FMYWYCYPAFBBAG-JXXFODFXSA-N 1 0 364.534 2.304 20 30 FEEDRO COc1cc(/C=C/C(=O)N(C)C[C@H]2CCC[N@H+](C)C2)ccc1OCC#N ZINC000115443945 543568512 /nfs/dbraw/zinc/56/85/12/543568512.db2.gz FPRVZCMORPRCLE-LKUPDRCFSA-N 1 0 357.454 2.411 20 30 FEEDRO COc1ccc(COCCC[NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)cc1 ZINC000115599264 543577509 /nfs/dbraw/zinc/57/75/09/543577509.db2.gz IULWTISTVSPJME-LJQANCHMSA-N 1 0 353.422 2.290 20 30 FEEDRO CCN(CC#N)CC(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCCC1 ZINC000118001946 543642807 /nfs/dbraw/zinc/64/28/07/543642807.db2.gz CNKHQEVMOMVIQX-LJQANCHMSA-N 1 0 358.486 2.184 20 30 FEEDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1cccc(OCCCC#N)c1 ZINC000118126565 543647766 /nfs/dbraw/zinc/64/77/66/543647766.db2.gz GFCOQHUYXLEWMP-QGZVFWFLSA-N 1 0 372.469 2.298 20 30 FEEDRO N#CCCN(CCN1CCOCC1)C(=O)c1cc2ccccc2cc1O ZINC000120925128 543686656 /nfs/dbraw/zinc/68/66/56/543686656.db2.gz SYHWTTKZDLQHEC-UHFFFAOYSA-N 1 0 353.422 2.233 20 30 FEEDRO Cc1nc(C#N)c(N2CCN(C(=O)C[NH2+][C@@H]3CCC(C)(C)C[C@H]3C)CC2)o1 ZINC000120980304 543687146 /nfs/dbraw/zinc/68/71/46/543687146.db2.gz RFXGQFRNZUJZMO-GDBMZVCRSA-N 1 0 373.501 2.308 20 30 FEEDRO CC(C)[NH+]1CCN(c2cccc(NC(=O)C3(C#N)CCOCC3)c2)CC1 ZINC000118946986 543661352 /nfs/dbraw/zinc/66/13/52/543661352.db2.gz NZUZGIKIRHOZMH-UHFFFAOYSA-N 1 0 356.470 2.476 20 30 FEEDRO N#CCc1ccc(OC[C@@H](O)C[NH+]2CCC(OC[C@@H]3CCOC3)CC2)cc1 ZINC000119486199 543668777 /nfs/dbraw/zinc/66/87/77/543668777.db2.gz KOZPKMUYQKFRIN-MOPGFXCFSA-N 1 0 374.481 2.010 20 30 FEEDRO N#Cc1ccc2ncc(CNc3cccc(C[N@H+]4CCC[C@@H]4C(N)=O)c3)n2c1 ZINC000120124835 543676265 /nfs/dbraw/zinc/67/62/65/543676265.db2.gz VXKJCWLEKBQXER-LJQANCHMSA-N 1 0 374.448 2.268 20 30 FEEDRO Cc1cc2cccnc2c(NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C)c1 ZINC000122112501 543703888 /nfs/dbraw/zinc/70/38/88/543703888.db2.gz FVZNZASHDVHJKA-UHFFFAOYSA-N 1 0 367.453 2.176 20 30 FEEDRO COc1ccc(CCNC(=[NH2+])N[C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)cc1OC ZINC000123769338 543782153 /nfs/dbraw/zinc/78/21/53/543782153.db2.gz RGWQYXROBFJQPY-LSTHTHJFSA-N 1 0 351.450 2.489 20 30 FEEDRO CN(CC[NH+]1CCCC1)C(=O)C(=O)Nc1ccccc1SCCC#N ZINC000124158796 543803695 /nfs/dbraw/zinc/80/36/95/543803695.db2.gz PMYWTDYIEHGNRX-UHFFFAOYSA-N 1 0 360.483 2.185 20 30 FEEDRO CC[NH+]=C(NC[C@@H]1CCOc2ccccc21)N[C@H]1CCc2nc(C)nn2C1 ZINC000125989831 543912598 /nfs/dbraw/zinc/91/25/98/543912598.db2.gz JBJMFBVTGVTISQ-HOTGVXAUSA-N 1 0 368.485 2.023 20 30 FEEDRO CCc1nnc(N2CCCC[C@H]([NH+]3CCN(C)CC3)C2)c(C#N)c1CC ZINC000127021072 543968434 /nfs/dbraw/zinc/96/84/34/543968434.db2.gz MOAUTLOVBKBASA-INIZCTEOSA-N 1 0 356.518 2.079 20 30 FEEDRO C#CCC[NH+]1CCN(Cc2cccc(C(=O)NCc3ccco3)c2)CC1 ZINC000127365347 543988156 /nfs/dbraw/zinc/98/81/56/543988156.db2.gz CQQYCRFHZUBFIG-UHFFFAOYSA-N 1 0 351.450 2.351 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H](C)Oc2cccc(Cl)c2)c1C#N ZINC000128130584 544034488 /nfs/dbraw/zinc/03/44/88/544034488.db2.gz BULGGPGWHSBTKB-LLVKDONJSA-N 1 0 361.833 2.493 20 30 FEEDRO C=CCNc1ncc(C(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)s1 ZINC000128382092 544049280 /nfs/dbraw/zinc/04/92/80/544049280.db2.gz BBOZNEZVPLFZSD-UHFFFAOYSA-N 1 0 363.531 2.029 20 30 FEEDRO Cc1cccc(N(CCC#N)C(=O)C[NH2+][C@H]2CCCC[C@H]2C(N)=O)c1C ZINC000130700192 544161246 /nfs/dbraw/zinc/16/12/46/544161246.db2.gz UOPHOEYOGVJCGJ-SJORKVTESA-N 1 0 356.470 2.184 20 30 FEEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000133924219 544288073 /nfs/dbraw/zinc/28/80/73/544288073.db2.gz UZRUMRRWKMUXTC-MRXNPFEDSA-N 1 0 372.469 2.084 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCOC2(CCOCC2)C1)C(C)C ZINC000133052128 544253790 /nfs/dbraw/zinc/25/37/90/544253790.db2.gz DMYMZZCQYLNVTO-SFHVURJKSA-N 1 0 365.518 2.276 20 30 FEEDRO C=C(C)COCCNC(=O)NCc1ccc(CN2CC[NH+](CC)CC2)cc1 ZINC000135023960 544331522 /nfs/dbraw/zinc/33/15/22/544331522.db2.gz HCYHNWQORWWAQI-UHFFFAOYSA-N 1 0 374.529 2.216 20 30 FEEDRO COc1ccc(OC)c(CCC[NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)c1 ZINC000135116054 544334647 /nfs/dbraw/zinc/33/46/47/544334647.db2.gz SCYRQQVBBNEHOW-IBGZPJMESA-N 1 0 353.422 2.324 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CCO[C@@]3(CCSC3)C2)CC1 ZINC000150929235 544487456 /nfs/dbraw/zinc/48/74/56/544487456.db2.gz VLSIBPCAMXRJJF-AEFFLSMTSA-N 1 0 353.532 2.381 20 30 FEEDRO N#Cc1cc(F)ccc1S(=O)(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000151986531 544603078 /nfs/dbraw/zinc/60/30/78/544603078.db2.gz FRYDOMOXVMVAMR-INIZCTEOSA-N 1 0 351.447 2.336 20 30 FEEDRO C[N@H+](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)CC1(O)CCCC1 ZINC000152379317 544645937 /nfs/dbraw/zinc/64/59/37/544645937.db2.gz RLUIFYBJYNRWNI-UHFFFAOYSA-N 1 0 368.399 2.410 20 30 FEEDRO C[NH+](C)C[C@](C)(O)CNC(=O)c1cccc(COc2ccc(C#N)cc2)c1 ZINC000152679406 544682759 /nfs/dbraw/zinc/68/27/59/544682759.db2.gz DCRCHHAGFUMRPE-OAQYLSRUSA-N 1 0 367.449 2.180 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cccc(-c3ncco3)c2)CC1 ZINC000153061607 544729255 /nfs/dbraw/zinc/72/92/55/544729255.db2.gz VDHDQIUMOYASME-UHFFFAOYSA-N 1 0 368.437 2.437 20 30 FEEDRO C[NH+](C)CCN(CC1CCCCC1)S(=O)(=O)c1ccc(C#N)nc1 ZINC000153223112 544748772 /nfs/dbraw/zinc/74/87/72/544748772.db2.gz JGEJSKHFTCMPMK-UHFFFAOYSA-N 1 0 350.488 2.086 20 30 FEEDRO C[NH+]=C(NCC1(c2ccc(F)cc2)CCOCC1)N(C)C[C@@H]1CCOC1 ZINC000153903208 544838177 /nfs/dbraw/zinc/83/81/77/544838177.db2.gz YGPLXJKLIABBRY-INIZCTEOSA-N 1 0 363.477 2.418 20 30 FEEDRO CC[C@H](CO)[NH+]1CCN(CC#Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000154061514 544859925 /nfs/dbraw/zinc/85/99/25/544859925.db2.gz FGFNMAWZXYXEQY-MRXNPFEDSA-N 1 0 356.388 2.325 20 30 FEEDRO COc1ccc(C[NH2+][C@H]2CCN(c3ccccc3OC)C2=O)cc1C#N ZINC000154463454 544909043 /nfs/dbraw/zinc/90/90/43/544909043.db2.gz QUFVXXVIMWXNLL-INIZCTEOSA-N 1 0 351.406 2.471 20 30 FEEDRO C[C@@H](CNS(=O)(=O)c1cc(Br)cc(C#N)c1)[N@H+](C)C1CC1 ZINC000155185607 544999400 /nfs/dbraw/zinc/99/94/00/544999400.db2.gz XGVJCPQNHNCFMQ-JTQLQIEISA-N 1 0 372.288 2.082 20 30 FEEDRO CNC(=O)CCC[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000155277395 545007519 /nfs/dbraw/zinc/00/75/19/545007519.db2.gz BKTKUNZPKPZNFR-UHFFFAOYSA-N 1 0 362.499 2.285 20 30 FEEDRO COCC[N@@H+]1CC[C@H](Nc2c(C#N)cnc3c(F)c(F)c(F)cc32)C1 ZINC000553058862 674235920 /nfs/dbraw/zinc/23/59/20/674235920.db2.gz RSDWXOASQRCSDG-NSHDSACASA-N 1 0 350.344 2.078 20 30 FEEDRO COC(=O)[C@H]1CCCC[C@]1(C)[NH2+]CCS(=O)(=O)c1cccc(C#N)c1 ZINC000553661340 674277856 /nfs/dbraw/zinc/27/78/56/674277856.db2.gz UNWQDZXEHNBDKP-AEFFLSMTSA-N 1 0 364.467 2.043 20 30 FEEDRO N#Cc1nccn1CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000179871392 327663025 /nfs/dbraw/zinc/66/30/25/327663025.db2.gz FDCJBGOFATXVLV-INIZCTEOSA-N 1 0 357.845 2.361 20 30 FEEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000183173171 327805545 /nfs/dbraw/zinc/80/55/45/327805545.db2.gz DPUJPYGLHZUDDN-CQSZACIVSA-N 1 0 358.486 2.177 20 30 FEEDRO C[C@H](c1cccc(C#N)c1)[NH+]1CCN(c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000187936415 328055177 /nfs/dbraw/zinc/05/51/77/328055177.db2.gz PTRGKDKZDMFPAD-OAHLLOKOSA-N 1 0 370.478 2.089 20 30 FEEDRO CN(C[C@H](O)c1ccc(C#N)cc1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188293663 328078974 /nfs/dbraw/zinc/07/89/74/328078974.db2.gz MFVQDTXUNCIRBN-FCHUYYIVSA-N 1 0 365.477 2.160 20 30 FEEDRO Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)Nc2cccc(C)c2C#N)o1 ZINC000189366746 328143704 /nfs/dbraw/zinc/14/37/04/328143704.db2.gz QGURRSDAVGPWTI-UHFFFAOYSA-N 1 0 368.437 2.297 20 30 FEEDRO Cc1ccc(S(=O)(=O)N2CCC([NH2+]Cc3cc(C#N)n(C)c3)CC2)cc1 ZINC000190740057 328229277 /nfs/dbraw/zinc/22/92/77/328229277.db2.gz BBRREMNFXQOZCG-UHFFFAOYSA-N 1 0 372.494 2.148 20 30 FEEDRO Cc1ccn2c(C[NH2+][C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)cnc2c1 ZINC000192245057 328308738 /nfs/dbraw/zinc/30/87/38/328308738.db2.gz BAMXWVJMFJEAJK-LJQANCHMSA-N 1 0 359.433 2.405 20 30 FEEDRO C[C@H](NC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C)C(C)(C)C[NH+](C)C ZINC000193152997 328359935 /nfs/dbraw/zinc/35/99/35/328359935.db2.gz YDXRRIRHDLGAFL-ZDUSSCGKSA-N 1 0 361.490 2.146 20 30 FEEDRO Cc1ccc(NC(=O)c2ccnc(C#N)c2)cc1NC(=O)CC[NH+](C)C ZINC000193837588 328397999 /nfs/dbraw/zinc/39/79/99/328397999.db2.gz KGOJGWUDAKMTAL-UHFFFAOYSA-N 1 0 351.410 2.404 20 30 FEEDRO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2OC(C)C)C1 ZINC000076666187 324959472 /nfs/dbraw/zinc/95/94/72/324959472.db2.gz VJMQLLIMOISOIL-INIZCTEOSA-N 1 0 372.469 2.227 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)Cc2nc(-c3ccco3)oc2C)c1C#N ZINC000089674828 325326345 /nfs/dbraw/zinc/32/63/45/325326345.db2.gz TZXKBLIAPPWSBL-UHFFFAOYSA-N 1 0 368.397 2.171 20 30 FEEDRO CCC[C@H]1CN([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CC[N@@H+]1CCOC ZINC000121674686 326357131 /nfs/dbraw/zinc/35/71/31/326357131.db2.gz OSMQCPFGIVTSPN-VQTJNVASSA-N 1 0 370.497 2.096 20 30 FEEDRO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccc(C#N)cc1F)C1CCCCC1 ZINC000135814662 326647733 /nfs/dbraw/zinc/64/77/33/326647733.db2.gz ABAIXKMPTUFQCM-QGZVFWFLSA-N 1 0 360.433 2.263 20 30 FEEDRO CCCS(=O)(=O)NC1CC[NH+](CCCOc2cccc(C#N)c2)CC1 ZINC000155587789 326794738 /nfs/dbraw/zinc/79/47/38/326794738.db2.gz DBTKPZNCXJBDKA-UHFFFAOYSA-N 1 0 365.499 2.121 20 30 FEEDRO Cc1cccc(S(=O)(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)c1C#N ZINC000156156693 326819824 /nfs/dbraw/zinc/81/98/24/326819824.db2.gz PPNNSKKETHULPD-QGZVFWFLSA-N 1 0 357.479 2.318 20 30 FEEDRO N#Cc1ccc(F)c(CS(=O)(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)c1 ZINC000162320283 327022499 /nfs/dbraw/zinc/02/24/99/327022499.db2.gz HCTMXLMFOSUBBH-OAHLLOKOSA-N 1 0 351.447 2.134 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2CCC[N@H+](CC3CCCCC3)CC2)cn1 ZINC000171069672 327115451 /nfs/dbraw/zinc/11/54/51/327115451.db2.gz LJWBAIUUYJKSLX-UHFFFAOYSA-N 1 0 362.499 2.230 20 30 FEEDRO Cc1oc(NC(=O)[C@H](C)N2CCC([N@@H+]3CCO[C@H](C)C3)CC2)c(C#N)c1C ZINC000171750012 327158873 /nfs/dbraw/zinc/15/88/73/327158873.db2.gz VGYVLUZKIZCVOE-HIFRSBDPSA-N 1 0 374.485 2.280 20 30 FEEDRO Cc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000171787385 327161405 /nfs/dbraw/zinc/16/14/05/327161405.db2.gz QUAITRHLEWPEIE-MRXNPFEDSA-N 1 0 364.449 2.442 20 30 FEEDRO C[N@H+](CCC(=O)Nc1cccc(C#N)c1)C[C@@H](O)COCc1ccccc1 ZINC000172252683 327190638 /nfs/dbraw/zinc/19/06/38/327190638.db2.gz NINDLLLECGYNPA-HXUWFJFHSA-N 1 0 367.449 2.396 20 30 FEEDRO C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)Cc1ccc(C#N)cc1 ZINC000172596616 327210290 /nfs/dbraw/zinc/21/02/90/327210290.db2.gz CHGXTVSJSHKEHO-GOSISDBHSA-N 1 0 362.477 2.428 20 30 FEEDRO C[C@@H]([NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(C#N)cc1 ZINC000173999384 327300694 /nfs/dbraw/zinc/30/06/94/327300694.db2.gz VGOQBSACTMURKO-CYBMUJFWSA-N 1 0 374.422 2.096 20 30 FEEDRO COc1ccc([C@H](C[NH2+]Cc2ccc(C#N)o2)N2CCOCC2)cc1OC ZINC000174246996 327315358 /nfs/dbraw/zinc/31/53/58/327315358.db2.gz PWTNJSBOMQMCCY-SFHVURJKSA-N 1 0 371.437 2.332 20 30 FEEDRO N#Cc1ccc(NC(=O)C(=O)NCC[NH+]2CCCCC2)cc1C(F)(F)F ZINC000174602076 327337437 /nfs/dbraw/zinc/33/74/37/327337437.db2.gz OFPZLDMOZNVJRP-UHFFFAOYSA-N 1 0 368.359 2.118 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1C[C@@H]2OCCC[C@@H]12 ZINC000249226023 328761609 /nfs/dbraw/zinc/76/16/09/328761609.db2.gz UWRAFTXDIKWLAZ-OTWHNJEPSA-N 1 0 356.470 2.199 20 30 FEEDRO CCc1nnc(NC2CC[NH+](C3CCN(C)CC3)CC2)c(C#N)c1CC ZINC000268125606 329387770 /nfs/dbraw/zinc/38/77/70/329387770.db2.gz DAFIHUGTZUODSF-UHFFFAOYSA-N 1 0 356.518 2.444 20 30 FEEDRO CC(C)[NH+](CCNC(=O)C1CCN(c2cccc(C#N)n2)CC1)C(C)C ZINC000270020310 329568942 /nfs/dbraw/zinc/56/89/42/329568942.db2.gz DIBUKBVONNWGCU-UHFFFAOYSA-N 1 0 357.502 2.405 20 30 FEEDRO N#Cc1cccc(NC(=O)C2CC[NH+](Cc3cnc4cnccn34)CC2)c1 ZINC000271200335 329672129 /nfs/dbraw/zinc/67/21/29/329672129.db2.gz WCKFVEDBGAHXAM-UHFFFAOYSA-N 1 0 360.421 2.452 20 30 FEEDRO C[C@H]([NH2+]CCS(=O)(=O)NCc1ccccc1)c1ccc(C#N)c(F)c1 ZINC000271930875 329738334 /nfs/dbraw/zinc/73/83/34/329738334.db2.gz HYDUVORGYFCAFA-AWEZNQCLSA-N 1 0 361.442 2.468 20 30 FEEDRO CS[C@H]1CN(CC(=O)Nc2sccc2C#N)C[C@@H]1[NH+]1CCCC1 ZINC000274046067 329910864 /nfs/dbraw/zinc/91/08/64/329910864.db2.gz NQMHUBFUEHUQGG-KBPBESRZSA-N 1 0 350.513 2.070 20 30 FEEDRO COCCN(CCC[NH+]1CCCCC1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000288698014 330185590 /nfs/dbraw/zinc/18/55/90/330185590.db2.gz UKJMBKZDSGHQRK-UHFFFAOYSA-N 1 0 365.499 2.071 20 30 FEEDRO CC(C)Oc1ccc(NC(=O)N[C@@H]2CCC[N@H+](CCCO)C2)cc1C#N ZINC000297125673 330194284 /nfs/dbraw/zinc/19/42/84/330194284.db2.gz PIYVFCNHWICTTQ-QGZVFWFLSA-N 1 0 360.458 2.314 20 30 FEEDRO CCC[NH+]1CCC(NC(=O)[C@H]2CCCN(c3nc(C)ccc3C#N)C2)CC1 ZINC000331794724 330201400 /nfs/dbraw/zinc/20/14/00/330201400.db2.gz DEIGBOJRJYLPJN-SFHVURJKSA-N 1 0 369.513 2.469 20 30 FEEDRO COc1cc(C[N@@H+]2CCC[C@H](c3n[nH]cc3C(=O)N(C)C)C2)ccc1C#N ZINC000367036680 330209763 /nfs/dbraw/zinc/20/97/63/330209763.db2.gz OXNFPGHXFOBFNI-INIZCTEOSA-N 1 0 367.453 2.371 20 30 FEEDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000367265177 330238082 /nfs/dbraw/zinc/23/80/82/330238082.db2.gz SYKRWFNQEGCZQN-SWLSCSKDSA-N 1 0 360.845 2.235 20 30 FEEDRO C#CCCCS(=O)(=O)NCc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000804948282 674308794 /nfs/dbraw/zinc/30/87/94/674308794.db2.gz OJMXOCWWOLRWJX-IRXDYDNUSA-N 1 0 364.511 2.129 20 30 FEEDRO C[N@@H+]1CCC[C@@]2(CCN(S(=O)(=O)c3ccc(Cl)c(C#N)c3)C2)C1 ZINC000555405114 674359358 /nfs/dbraw/zinc/35/93/58/674359358.db2.gz FUWAGWYLKSVHTR-MRXNPFEDSA-N 1 0 353.875 2.318 20 30 FEEDRO Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N[C@@H]3C[N@H+](C(C)C)C[C@@H]3C)C2)n1 ZINC000155494726 545533115 /nfs/dbraw/zinc/53/31/15/545533115.db2.gz JFMZRHKKIAQTFV-ZYSHUDEJSA-N 1 0 369.513 2.323 20 30 FEEDRO CN(C(=O)c1ccc(NC(=O)c2ccc(C#N)[nH]2)cc1)[C@@H]1CCC[N@H+](C)C1 ZINC000155511320 545535511 /nfs/dbraw/zinc/53/55/11/545535511.db2.gz QOYVRYGKOACKJJ-QGZVFWFLSA-N 1 0 365.437 2.305 20 30 FEEDRO C[NH+](C)C[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1C#N ZINC000156664509 545644456 /nfs/dbraw/zinc/64/44/56/545644456.db2.gz QNBMGYKHVKQOGM-QGZVFWFLSA-N 1 0 361.442 2.149 20 30 FEEDRO C[C@@H]1C[N@@H+](CC2CCN(C(=O)CNc3cccc(C#N)c3)CC2)C[C@H](C)O1 ZINC000156704561 545648746 /nfs/dbraw/zinc/64/87/46/545648746.db2.gz OHZLXVHZPQVMKI-CALCHBBNSA-N 1 0 370.497 2.318 20 30 FEEDRO C[C@H](C(=O)Nc1ccccc1C#N)N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000157269326 545721712 /nfs/dbraw/zinc/72/17/12/545721712.db2.gz HURUPXUTJXIERM-UKRRQHHQSA-N 1 0 358.442 2.484 20 30 FEEDRO C=CCN(CCc1ccccc1)C(=O)C(=O)NCC1CC[NH+](CCC)CC1 ZINC000477613809 561149358 /nfs/dbraw/zinc/14/93/58/561149358.db2.gz IBEZSNCYBDCYTR-UHFFFAOYSA-N 1 0 371.525 2.482 20 30 FEEDRO C[C@@H](CNS(=O)(=O)c1ccc(F)cc1C#N)[N@H+](C)Cc1ccccc1 ZINC000157444155 545742145 /nfs/dbraw/zinc/74/21/45/545742145.db2.gz DXEFTUGYOJKUFS-AWEZNQCLSA-N 1 0 361.442 2.496 20 30 FEEDRO COc1cc(C#N)ccc1OCC[N@H+](C)C[C@@H]1CCCN1c1cccnn1 ZINC000157932034 545802189 /nfs/dbraw/zinc/80/21/89/545802189.db2.gz CIQTUOYLKDCCPN-KRWDZBQOSA-N 1 0 367.453 2.336 20 30 FEEDRO C=CCN1C(=O)c2ccc(C(=O)NC[C@@H](C)[N@@H+]3CCC[C@H](C)C3)cc2C1=O ZINC000478528570 561168879 /nfs/dbraw/zinc/16/88/79/561168879.db2.gz JXIAHUZXQVKZCO-LSDHHAIUSA-N 1 0 369.465 2.319 20 30 FEEDRO C[C@@H]1C[C@H](N(C)S(=O)(=O)N(C)CCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000160003328 545999816 /nfs/dbraw/zinc/99/98/16/545999816.db2.gz SAVRIAWBNAVQCG-SJLPKXTDSA-N 1 0 364.515 2.062 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000160241262 546021588 /nfs/dbraw/zinc/02/15/88/546021588.db2.gz IIXMWVWADIUSLU-UHFFFAOYSA-N 1 0 357.414 2.313 20 30 FEEDRO CC[N@H+](CCNC(=O)C(=O)Nc1ccc(OC(C)C)c(C#N)c1)C(C)C ZINC000161260325 546114445 /nfs/dbraw/zinc/11/44/45/546114445.db2.gz IXPYEEHQODYCCZ-UHFFFAOYSA-N 1 0 360.458 2.130 20 30 FEEDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1ccc(OC(C)C)c(C#N)c1 ZINC000161264499 546115015 /nfs/dbraw/zinc/11/50/15/546115015.db2.gz DSZJTEOOTSJWRA-KRWDZBQOSA-N 1 0 372.469 2.275 20 30 FEEDRO COc1ccc(CNC(=[NH2+])N[C@H]2[C@H]3CCO[C@@H]3C23CCCC3)cc1OC ZINC000162882383 546142836 /nfs/dbraw/zinc/14/28/36/546142836.db2.gz UASYMMJBHOKGLS-JLSDUUJJSA-N 1 0 359.470 2.456 20 30 FEEDRO C[C@@H]([NH2+]CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)[C@H]1CCOC1 ZINC000162929455 546142919 /nfs/dbraw/zinc/14/29/19/546142919.db2.gz JVKSNTXSNCVJKA-HIFRSBDPSA-N 1 0 354.372 2.188 20 30 FEEDRO C[C@@H]([NH2+]CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)[C@@H]1CCOC1 ZINC000162929233 546142982 /nfs/dbraw/zinc/14/29/82/546142982.db2.gz JVKSNTXSNCVJKA-UKRRQHHQSA-N 1 0 354.372 2.188 20 30 FEEDRO CCCC1CCC(NC(NCC2CCN(S(C)(=O)=O)CC2)=[NH+]C)CC1 ZINC000163215395 546143890 /nfs/dbraw/zinc/14/38/90/546143890.db2.gz HQABBYGNOIKFGC-UHFFFAOYSA-N 1 0 372.579 2.182 20 30 FEEDRO C[N@@H+](Cc1ccccc1)CC1CCN(S(=O)(=O)CC2(C#N)CC2)CC1 ZINC000165156269 546151994 /nfs/dbraw/zinc/15/19/94/546151994.db2.gz ZFQKGAFCGXXXIX-UHFFFAOYSA-N 1 0 361.511 2.464 20 30 FEEDRO [NH2+]=C(NCc1ccnc(N2CCOCC2)c1)Nc1ccc2c(c1)CCC2 ZINC000170911486 546181518 /nfs/dbraw/zinc/18/15/18/546181518.db2.gz MMKZTWDUOCMEEU-UHFFFAOYSA-N 1 0 351.454 2.334 20 30 FEEDRO CCOC(=O)N1CCC(NC(=[NH2+])NCc2ccccc2OC(C)C)CC1 ZINC000170910885 546181897 /nfs/dbraw/zinc/18/18/97/546181897.db2.gz ORDPAPLNKDKERX-UHFFFAOYSA-N 1 0 362.474 2.499 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)[C@H]2CC(=O)N(c3ccccc3CC)C2)CC1 ZINC000171726520 546221699 /nfs/dbraw/zinc/22/16/99/546221699.db2.gz MTSSXTDKRCIKIZ-KRWDZBQOSA-N 1 0 355.482 2.369 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccc(CN3C(=O)CCC3=O)cc2)CC1 ZINC000171737544 546223169 /nfs/dbraw/zinc/22/31/69/546223169.db2.gz PDEROAHBZYHJDG-UHFFFAOYSA-N 1 0 370.453 2.108 20 30 FEEDRO C[NH+]1CCN(c2cc(C(=O)N[C@@H](C#N)c3ccccc3Cl)ccn2)CC1 ZINC000172023666 546233947 /nfs/dbraw/zinc/23/39/47/546233947.db2.gz AKUZWPWCHNNMSU-KRWDZBQOSA-N 1 0 369.856 2.481 20 30 FEEDRO N#CCCn1ccc(NC(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)n1 ZINC000173343363 546279137 /nfs/dbraw/zinc/27/91/37/546279137.db2.gz CJUZJVQKYOIJIN-GOSISDBHSA-N 1 0 366.469 2.483 20 30 FEEDRO C#CCOc1ccc(F)cc1NC(=O)NC1CC[NH+](CCCOC)CC1 ZINC000173788901 546286359 /nfs/dbraw/zinc/28/63/59/546286359.db2.gz LQSVXZATTOAVMZ-UHFFFAOYSA-N 1 0 363.433 2.460 20 30 FEEDRO Cc1cc(N2CC[C@@H]([NH2+][C@@H](C)c3ccc(OCC#N)cc3)C2=O)n(C)n1 ZINC000174044970 546290056 /nfs/dbraw/zinc/29/00/56/546290056.db2.gz GNACSSNORDVIMV-WMLDXEAASA-N 1 0 353.426 2.087 20 30 FEEDRO C[C@@H](O)C[N@H+](CCS(=O)(=O)c1ccc(C#N)cc1)C1CCCCC1 ZINC000176226310 546421753 /nfs/dbraw/zinc/42/17/53/546421753.db2.gz NWYXFGUZTMZMBP-OAHLLOKOSA-N 1 0 350.484 2.347 20 30 FEEDRO Cc1cccc(NC(=O)C(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)c1C#N ZINC000176334265 546433095 /nfs/dbraw/zinc/43/30/95/546433095.db2.gz RANJAFVWPPERMA-UHFFFAOYSA-N 1 0 368.412 2.193 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H]2CCN(c3ncccc3Cl)C2)CC1 ZINC000176598843 546466043 /nfs/dbraw/zinc/46/60/43/546466043.db2.gz MKAIWNYZKGHIEA-OAHLLOKOSA-N 1 0 363.893 2.263 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Cc1csc2nccn12 ZINC000480479845 561210244 /nfs/dbraw/zinc/21/02/44/561210244.db2.gz GJQVSBYLUDLABW-UHFFFAOYSA-N 1 0 367.478 2.400 20 30 FEEDRO CC(C)[N@H+]1C[C@H](NC(=O)N2CCN(c3cccc(F)c3C#N)CC2)[C@@H](C)C1 ZINC000176837341 546495214 /nfs/dbraw/zinc/49/52/14/546495214.db2.gz OYUGQTIYALVJKN-YJBOKZPZSA-N 1 0 373.476 2.258 20 30 FEEDRO C=CC[N@@H+](CCC(=O)NC(=O)NCC(F)(F)F)Cc1cccc(C#N)c1 ZINC000177026013 546527022 /nfs/dbraw/zinc/52/70/22/546527022.db2.gz NTZKTJQTDAHKQI-UHFFFAOYSA-N 1 0 368.359 2.324 20 30 FEEDRO C=CCOc1ccc(C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)cc1OC ZINC000178101505 546739629 /nfs/dbraw/zinc/73/96/29/546739629.db2.gz ICQDJUIZCZBYJS-INIZCTEOSA-N 1 0 360.454 2.054 20 30 FEEDRO Cc1csc(CNC(NCC(=O)N(C)C)=[NH+][C@@H]2CCCC[C@@H]2C)n1 ZINC000178208146 546758261 /nfs/dbraw/zinc/75/82/61/546758261.db2.gz FZDQNKRIODWKIC-GXTWGEPZSA-N 1 0 351.520 2.154 20 30 FEEDRO C[C@H]1C[NH+](CCC2CCN(C(=O)C3(C#N)CCOCC3)CC2)C[C@H](C)O1 ZINC000178240036 546762342 /nfs/dbraw/zinc/76/23/42/546762342.db2.gz MXIFZDRNKCAOBH-IRXDYDNUSA-N 1 0 363.502 2.045 20 30 FEEDRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(C)(C)Oc2ccc(C#N)cc2)C1 ZINC000178298694 546771940 /nfs/dbraw/zinc/77/19/40/546771940.db2.gz XWWGNKLFJIHSLV-SFHVURJKSA-N 1 0 359.470 2.189 20 30 FEEDRO Cc1c(C#N)cccc1NC(=O)C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000178471762 546799484 /nfs/dbraw/zinc/79/94/84/546799484.db2.gz VNJRMSQZEPKKFW-QGZVFWFLSA-N 1 0 354.454 2.282 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N2CCOC[C@@H]2C[C@H](O)c2ccccc2)CC1 ZINC000178919165 546873247 /nfs/dbraw/zinc/87/32/47/546873247.db2.gz AHMXIKBTYASJLV-PMACEKPBSA-N 1 0 373.497 2.171 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N2C[C@@H](O)C[C@@H]2c2cc(F)ccc2F)CC1 ZINC000179033348 546889720 /nfs/dbraw/zinc/88/97/20/546889720.db2.gz GLSWPRDRWITFSF-MAUKXSAKSA-N 1 0 365.424 2.433 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N[C@H](C)c2ccc(-n3ccnn3)cc2)CC1 ZINC000179138759 546904292 /nfs/dbraw/zinc/90/42/92/546904292.db2.gz LDWBZGIVDGRRNG-OAHLLOKOSA-N 1 0 354.458 2.278 20 30 FEEDRO COC(=O)[C@H]1C[C@H](c2ccccc2)C[N@H+](CCC(=O)N(C)CCC#N)C1 ZINC000179380128 546943364 /nfs/dbraw/zinc/94/33/64/546943364.db2.gz XEQFJFQUKWDRAM-ROUUACIJSA-N 1 0 357.454 2.027 20 30 FEEDRO N#Cc1ccc(CC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2CO)cc1 ZINC000179430691 546952610 /nfs/dbraw/zinc/95/26/10/546952610.db2.gz ANQPKXGONPBXGC-LEWJYISDSA-N 1 0 363.461 2.100 20 30 FEEDRO CC(C)[C@H](C#N)N1CCN(C(=O)C[NH2+]C(C)(C)c2cccc(F)c2)CC1 ZINC000179572812 546979473 /nfs/dbraw/zinc/97/94/73/546979473.db2.gz YJTLPHMQWULOAJ-SFHVURJKSA-N 1 0 360.477 2.343 20 30 FEEDRO C=CCNC(=O)CNC(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000180537336 547125843 /nfs/dbraw/zinc/12/58/43/547125843.db2.gz XFRRSOJRUCJBLM-UHFFFAOYSA-N 1 0 358.486 2.164 20 30 FEEDRO CC[C@@H]([NH2+]CC(=O)N(CCC#N)CCC#N)c1ccc2c(c1)OCCO2 ZINC000180646636 547149523 /nfs/dbraw/zinc/14/95/23/547149523.db2.gz AAFXCDNCQAKNEU-MRXNPFEDSA-N 1 0 356.426 2.154 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)[C@](N)(c2ccccc2OC)C(F)(F)F)CC1 ZINC000483072227 561266443 /nfs/dbraw/zinc/26/64/43/561266443.db2.gz FYZRFKVWQFMDAX-QGZVFWFLSA-N 1 0 371.403 2.178 20 30 FEEDRO C[C@H]([NH2+]CC(=O)N[C@@](C)(C#N)C1CC1)c1cccc(N2CCOC2=O)c1 ZINC000181301668 547289696 /nfs/dbraw/zinc/28/96/96/547289696.db2.gz PVLBHVBITXCSCN-DJJJIMSYSA-N 1 0 356.426 2.102 20 30 FEEDRO C[C@H]1OCC[C@@H]1[N@H+](CCO)CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000483315590 561273976 /nfs/dbraw/zinc/27/39/76/561273976.db2.gz OYDAWPSSFYRJCP-WBMJQRKESA-N 1 0 351.834 2.012 20 30 FEEDRO CCc1cc(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)cc(=O)[nH]1 ZINC000181521101 547328126 /nfs/dbraw/zinc/32/81/26/547328126.db2.gz BTPBGKGXGBGVCS-UHFFFAOYSA-N 1 0 352.438 2.013 20 30 FEEDRO CS[C@H]1CN(C(=O)c2ncc(C#N)cc2Cl)C[C@@H]1[NH+]1CCCC1 ZINC000483390718 561275486 /nfs/dbraw/zinc/27/54/86/561275486.db2.gz CTYBZYGDWZQPKM-KBPBESRZSA-N 1 0 350.875 2.258 20 30 FEEDRO C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000181751905 547374603 /nfs/dbraw/zinc/37/46/03/547374603.db2.gz NEABUQJVIHWYFQ-HOTGVXAUSA-N 1 0 372.469 2.153 20 30 FEEDRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+]CCOc2cccc(C#N)c2)c1 ZINC000181944277 547411335 /nfs/dbraw/zinc/41/13/35/547411335.db2.gz ZVUDABGCBQPGHU-AWEZNQCLSA-N 1 0 359.451 2.196 20 30 FEEDRO COCCOC1CC[NH+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000182795089 547552911 /nfs/dbraw/zinc/55/29/11/547552911.db2.gz PZSPZUGYHZVUIC-LJQANCHMSA-N 1 0 357.454 2.181 20 30 FEEDRO C=CC[C@@H](CO)NC(=O)C(=O)Nc1cccc2c1C[N@H+]([C@H](C)C(C)C)C2 ZINC000183213091 547622249 /nfs/dbraw/zinc/62/22/49/547622249.db2.gz LPXMXULMOHYGJZ-ZBFHGGJFSA-N 1 0 359.470 2.038 20 30 FEEDRO CN(CCCN1CC[NH+](C)CC1)C(=O)N[C@H](CCC#N)c1ccccc1 ZINC000183360272 547644156 /nfs/dbraw/zinc/64/41/56/547644156.db2.gz LMEUSLPWFAXOND-LJQANCHMSA-N 1 0 357.502 2.310 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2CCC([NH+]3CCCC3)CC2)c(Cl)c1 ZINC000183510685 547673661 /nfs/dbraw/zinc/67/36/61/547673661.db2.gz HVFKMVYCKZOWHK-UHFFFAOYSA-N 1 0 353.875 2.461 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)[C@H]2CC(=O)N(c3ccc(F)c(C)c3)C2)CC1 ZINC000183677327 547700542 /nfs/dbraw/zinc/70/05/42/547700542.db2.gz LDFVKFMUSRXMAB-HNNXBMFYSA-N 1 0 359.445 2.254 20 30 FEEDRO COCCOc1ccc(C#N)cc1NC(=O)NCC[NH+]1CCC(C)CC1 ZINC000184620250 547855692 /nfs/dbraw/zinc/85/56/92/547855692.db2.gz MGENSHZCPYZQNO-UHFFFAOYSA-N 1 0 360.458 2.437 20 30 FEEDRO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)C2(c3ccc(C#N)cc3)CC2)CC1 ZINC000186725631 548180896 /nfs/dbraw/zinc/18/08/96/548180896.db2.gz TYLSTPXMJJYFDU-FQEVSTJZSA-N 1 0 366.509 2.218 20 30 FEEDRO CCOCCC[N@@H+]1CC[C@H](NCC(=O)Nc2cccc(C#N)c2)[C@H](C)C1 ZINC000187014492 548241135 /nfs/dbraw/zinc/24/11/35/548241135.db2.gz LRFDXEOEUVOULB-APWZRJJASA-N 1 0 358.486 2.223 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)NCCc2nn(C)c3ccccc23)CC1 ZINC000187837423 548265756 /nfs/dbraw/zinc/26/57/56/548265756.db2.gz DHYDNYJKCKAGGQ-UHFFFAOYSA-N 1 0 355.486 2.456 20 30 FEEDRO C#CCOc1ccccc1NC(=O)NC[C@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000188092163 548271433 /nfs/dbraw/zinc/27/14/33/548271433.db2.gz XPMIZYRXEGFZNS-GOSISDBHSA-N 1 0 358.486 2.092 20 30 FEEDRO C=CC[C@@H](C(=O)N1CCN(C(=O)C[NH+](CC)CC)CC1)c1ccccc1 ZINC000189138365 548296524 /nfs/dbraw/zinc/29/65/24/548296524.db2.gz ZDQGLCRXJPZVHD-LJQANCHMSA-N 1 0 357.498 2.359 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)Nc1cc(C)cc(C)n1)C(C)C ZINC000192936355 548376703 /nfs/dbraw/zinc/37/67/03/548376703.db2.gz RJCCNZGYUROROT-QGZVFWFLSA-N 1 0 358.486 2.452 20 30 FEEDRO C[C@H](C(=O)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1cccc(C#N)c1 ZINC000486623506 561352707 /nfs/dbraw/zinc/35/27/07/561352707.db2.gz LXCOOYZCOOGIIE-HRAATJIYSA-N 1 0 363.461 2.197 20 30 FEEDRO C=CCOc1ccccc1CNC(=O)c1nnn(C2CC[NH2+]CC2)c1C ZINC000237816459 548855206 /nfs/dbraw/zinc/85/52/06/548855206.db2.gz MJHZLTCBYZGKDZ-UHFFFAOYSA-N 1 0 355.442 2.006 20 30 FEEDRO N#Cc1cccc(NC(=O)NC[C@@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)c1 ZINC000245545331 548943471 /nfs/dbraw/zinc/94/34/71/548943471.db2.gz CFMMAJFIGAVFFC-OALUTQOASA-N 1 0 350.422 2.315 20 30 FEEDRO CN1CC[C@H](NS(=O)(=O)c2ccc(F)c(C#N)c2)[C@H]1c1ccccc1 ZINC000245677801 548972682 /nfs/dbraw/zinc/97/26/82/548972682.db2.gz UIOMPHOOPRTABH-ZWKOTPCHSA-N 1 0 359.426 2.421 20 30 FEEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SC[C@@H](O)CSC ZINC000488324727 561387867 /nfs/dbraw/zinc/38/78/67/561387867.db2.gz VNAYCYVZVYQXIB-AWEZNQCLSA-N 1 0 356.561 2.309 20 30 FEEDRO C=CCCC[C@@H](C)NC(=O)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000488174308 561385128 /nfs/dbraw/zinc/38/51/28/561385128.db2.gz GADKPIVOKAQVRF-MRXNPFEDSA-N 1 0 358.486 2.275 20 30 FEEDRO C=C(C)C[N@@H+](CC)[C@@H](C)C(=O)Nc1cc(C(=O)OC)ccc1C(=O)OC ZINC000488495615 561390734 /nfs/dbraw/zinc/39/07/34/561390734.db2.gz RITVBCZTMHBPPW-ZDUSSCGKSA-N 1 0 362.426 2.485 20 30 FEEDRO CCCCNC(=O)[C@@H]1CCCN([C@@H](C(=O)OC)c2cccc(C#N)c2)C1 ZINC000246345008 549111065 /nfs/dbraw/zinc/11/10/65/549111065.db2.gz FPVKOWHPTUCQCU-QZTJIDSGSA-N 1 0 357.454 2.401 20 30 FEEDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(S(=O)(=O)c2ccc(C#N)nc2)C1 ZINC000246349788 549111203 /nfs/dbraw/zinc/11/12/03/549111203.db2.gz JSUIYQZVRPECIZ-JKSUJKDBSA-N 1 0 362.499 2.228 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@H](C(=O)OC)[C@@H]2C(C)C)CC1 ZINC000488793351 561397264 /nfs/dbraw/zinc/39/72/64/561397264.db2.gz IDBWIPNNMXLJMQ-IRXDYDNUSA-N 1 0 351.491 2.256 20 30 FEEDRO N#Cc1cc(F)ccc1S(=O)(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246710044 549193452 /nfs/dbraw/zinc/19/34/52/549193452.db2.gz UJIPVKPRZAWFKN-SUMWQHHRSA-N 1 0 363.458 2.335 20 30 FEEDRO CCC[N@@H+]1CC[C@@H](CNC(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)C1 ZINC000246715226 549193999 /nfs/dbraw/zinc/19/39/99/549193999.db2.gz MENRQULVBBANPD-PMACEKPBSA-N 1 0 369.513 2.138 20 30 FEEDRO CC[N@H+](C)Cc1cccc(CNS(=O)(=O)c2cnc(C)c(C#N)c2)c1 ZINC000489109711 561403503 /nfs/dbraw/zinc/40/35/03/561403503.db2.gz LJVKYPJHOPJQDU-UHFFFAOYSA-N 1 0 358.467 2.192 20 30 FEEDRO C=CCCCS(=O)(=O)NCc1ccc(CN2CC[NH+](CC)CC2)cc1 ZINC000489129130 561404107 /nfs/dbraw/zinc/40/41/07/561404107.db2.gz HVXUXIXEGPBRHM-UHFFFAOYSA-N 1 0 365.543 2.210 20 30 FEEDRO Cc1ncc(S(=O)(=O)NCCCCC[NH+]2CCCCC2)cc1C#N ZINC000489250192 561406691 /nfs/dbraw/zinc/40/66/91/561406691.db2.gz IMRRDWPGLUIXLH-UHFFFAOYSA-N 1 0 350.488 2.196 20 30 FEEDRO C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)Nc3ccc(C#N)c(Cl)c3)CC[C@H]21 ZINC000248149408 549412395 /nfs/dbraw/zinc/41/23/95/549412395.db2.gz QOLRVEYUAKOUMD-XJKSGUPXSA-N 1 0 360.845 2.093 20 30 FEEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cnn(-c3ncccc3C#N)c2)[C@@H](C)C1 ZINC000248387911 549425702 /nfs/dbraw/zinc/42/57/02/549425702.db2.gz CIAWMWQPOSYHNH-YOEHRIQHSA-N 1 0 367.457 2.333 20 30 FEEDRO COc1cc(C#N)ccc1S(=O)(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000248648995 549476453 /nfs/dbraw/zinc/47/64/53/549476453.db2.gz RDOHXQCJJTXCKS-CVEARBPZSA-N 1 0 363.483 2.203 20 30 FEEDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NS(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000248823538 549506628 /nfs/dbraw/zinc/50/66/28/549506628.db2.gz LPSSPJLBBWBLLF-AUUYWEPGSA-N 1 0 373.453 2.496 20 30 FEEDRO Cc1nc(C#N)c(N2CCC(C(=O)NC[C@H](C)[N@@H+]3CCC[C@@H](C)C3)CC2)o1 ZINC000248895385 549523488 /nfs/dbraw/zinc/52/34/88/549523488.db2.gz JOEASFQFWUNKHS-CABCVRRESA-N 1 0 373.501 2.308 20 30 FEEDRO CCCCNC(=O)[C@H]1CCC[N@@H+]([C@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000250424713 549641685 /nfs/dbraw/zinc/64/16/85/549641685.db2.gz FFABCAPEPAOCIT-SJORKVTESA-N 1 0 362.518 2.346 20 30 FEEDRO CC[S@](=O)[C@H]1CCC[C@H](N/C(NCc2cn3ccsc3n2)=[NH+]/C)C1 ZINC000261626328 549735703 /nfs/dbraw/zinc/73/57/03/549735703.db2.gz BXZLMHIABRMQHY-RLVYNTFLSA-N 1 0 367.544 2.141 20 30 FEEDRO CC[NH+]=C(NC[C@](C)(O)c1cccs1)N[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000261639914 549737974 /nfs/dbraw/zinc/73/79/74/549737974.db2.gz DHACEHLPFOHVGF-DRRHNWJESA-N 1 0 351.516 2.324 20 30 FEEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000261723066 549748153 /nfs/dbraw/zinc/74/81/53/549748153.db2.gz LHPKZIONPPGTRY-RBUKOAKNSA-N 1 0 364.449 2.162 20 30 FEEDRO C[NH+]=C(N[C@@H]1C[C@H]1Cc1ccccc1)N1CCO[C@H](c2cnn(C)c2)C1 ZINC000261754233 549751678 /nfs/dbraw/zinc/75/16/78/549751678.db2.gz MDWQXRFPFUSTJO-QRQLOZEOSA-N 1 0 353.470 2.000 20 30 FEEDRO CCC(=O)N1CC[C@H](NC(NCc2coc(-c3ccccc3)n2)=[NH+]C)C1 ZINC000261942668 549772030 /nfs/dbraw/zinc/77/20/30/549772030.db2.gz DVGKEVPIBJQUMF-HNNXBMFYSA-N 1 0 355.442 2.018 20 30 FEEDRO C[NH+]=C(NCc1nccn1C(F)F)N1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000262007076 549779730 /nfs/dbraw/zinc/77/97/30/549779730.db2.gz VWAKUAHVORHJET-STQMWFEESA-N 1 0 351.405 2.133 20 30 FEEDRO CC[NH+]=C(NCc1cn2c(n1)CCCC2)N1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000262019197 549780299 /nfs/dbraw/zinc/78/02/99/549780299.db2.gz YKXNLEIFIGIBEE-AEFFLSMTSA-N 1 0 369.517 2.465 20 30 FEEDRO C#CCNC(NCc1nnc2c(Cl)cc(C(F)(F)F)cn12)=[NH+]CC ZINC000262615575 549832704 /nfs/dbraw/zinc/83/27/04/549832704.db2.gz LOGQBFSJWZGONF-UHFFFAOYSA-N 1 0 358.755 2.090 20 30 FEEDRO C[NH+]=C(NCc1ccc2c(c1)OCO2)NCc1ccnc(N2CCCC2)c1 ZINC000262635355 549834256 /nfs/dbraw/zinc/83/42/56/549834256.db2.gz YXNSWOPCNFLGCD-UHFFFAOYSA-N 1 0 367.453 2.276 20 30 FEEDRO Cc1ccc(NC(=[NH2+])NC[C@@H]2CCCC[C@H]2NS(C)(=O)=O)cc1C ZINC000262675934 549837565 /nfs/dbraw/zinc/83/75/65/549837565.db2.gz UABMIMAHFLANLR-GOEBONIOSA-N 1 0 352.504 2.138 20 30 FEEDRO O=S1(=O)CC[C@H](CNC(NCc2cccs2)=[NH+]C2CCCC2)C1 ZINC000263248091 549889098 /nfs/dbraw/zinc/88/90/98/549889098.db2.gz NPXKWEWZHBSFEB-CYBMUJFWSA-N 1 0 355.529 2.161 20 30 FEEDRO C[NH+]=C(NCc1ccco1)NC[C@@H](c1ccc(OC)cc1)N1CCOCC1 ZINC000264024330 549969811 /nfs/dbraw/zinc/96/98/11/549969811.db2.gz ANXISJGJYBEWTK-IBGZPJMESA-N 1 0 372.469 2.027 20 30 FEEDRO CCOC(=O)N1CCC(NC(=[NH2+])NCCc2ccc(Cl)cc2)CC1 ZINC000264091487 549977979 /nfs/dbraw/zinc/97/79/79/549977979.db2.gz KZRKFNBIAWJXSP-UHFFFAOYSA-N 1 0 352.866 2.408 20 30 FEEDRO CCOC(=O)N1CCC(NC(=[NH2+])NC[C@@H](C)N(C)c2ccccc2)CC1 ZINC000264092916 549978340 /nfs/dbraw/zinc/97/83/40/549978340.db2.gz LQFOKRCRZHUWRR-OAHLLOKOSA-N 1 0 361.490 2.037 20 30 FEEDRO COc1ccc(NC(=[NH2+])NCc2ccc(N3CCO[C@@H](C)C3)nc2)cc1 ZINC000264102108 549979008 /nfs/dbraw/zinc/97/90/08/549979008.db2.gz NCPTWOBYOUMYHU-AWEZNQCLSA-N 1 0 355.442 2.242 20 30 FEEDRO Cc1ccc(NC(=[NH2+])NCc2ccccc2S(=O)(=O)N(C)C)cc1C ZINC000264125696 549981823 /nfs/dbraw/zinc/98/18/23/549981823.db2.gz SFTYRMHJPLMDIP-UHFFFAOYSA-N 1 0 360.483 2.481 20 30 FEEDRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N1CCO[C@H](C#N)C1 ZINC000264440897 549995998 /nfs/dbraw/zinc/99/59/98/549995998.db2.gz ZFQIPRRDPHDOPP-QFBILLFUSA-N 1 0 356.470 2.495 20 30 FEEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)NCC(C)(C)[NH+](C)C ZINC000264486476 549996410 /nfs/dbraw/zinc/99/64/10/549996410.db2.gz AEPYJJBSTQHMFI-ZDUSSCGKSA-N 1 0 362.499 2.333 20 30 FEEDRO C[C@@H]([NH2+][C@@H]1CCCN(c2cnn(C)c2)C1=O)c1ccc(OCC#N)cc1 ZINC000266456241 550020468 /nfs/dbraw/zinc/02/04/68/550020468.db2.gz LAOUSOPCIGCCKD-RDTXWAMCSA-N 1 0 353.426 2.169 20 30 FEEDRO C#CCOc1cccc(NC(=O)C(=O)NC2CC[NH+](C(C)(C)C)CC2)c1 ZINC000266956596 550025761 /nfs/dbraw/zinc/02/57/61/550025761.db2.gz NOSAIEMHFXYJPA-UHFFFAOYSA-N 1 0 357.454 2.016 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1ccc(N2CCOC2=O)cc1 ZINC000267427373 550031795 /nfs/dbraw/zinc/03/17/95/550031795.db2.gz UQBAEUPOTGLLCH-UHFFFAOYSA-N 1 0 359.430 2.342 20 30 FEEDRO C#CCCCCNC(=O)C(=O)Nc1ccc(OCC[NH+](CC)CC)cc1 ZINC000268228930 550038015 /nfs/dbraw/zinc/03/80/15/550038015.db2.gz JWEVOFVYEFLJHA-UHFFFAOYSA-N 1 0 359.470 2.265 20 30 FEEDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2cc(C#N)ccc2Cl)C1 ZINC000268718901 550108181 /nfs/dbraw/zinc/10/81/81/550108181.db2.gz VWGDEKUBRDEJLI-AWEZNQCLSA-N 1 0 362.861 2.244 20 30 FEEDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000268809152 550118676 /nfs/dbraw/zinc/11/86/76/550118676.db2.gz STEZIJGSFUBSOT-QMTHXVAHSA-N 1 0 373.400 2.338 20 30 FEEDRO C=CCOc1ccccc1CNC(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000269035242 550147166 /nfs/dbraw/zinc/14/71/66/550147166.db2.gz UNPJNRFLDBYWAC-OALUTQOASA-N 1 0 373.497 2.428 20 30 FEEDRO N#Cc1ccc(/C=C/C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)cc1 ZINC000269048043 550148557 /nfs/dbraw/zinc/14/85/57/550148557.db2.gz ADFZAFSHWFMNMD-ILXKITPQSA-N 1 0 353.466 2.456 20 30 FEEDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2S(=O)(=O)c2ccc(C#N)c(Cl)c2)C1 ZINC000269103173 550154854 /nfs/dbraw/zinc/15/48/54/550154854.db2.gz AKVBBIBNBCDSBW-BBRMVZONSA-N 1 0 353.875 2.316 20 30 FEEDRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2ccc(C#N)cc2F)C1 ZINC000269550646 550205579 /nfs/dbraw/zinc/20/55/79/550205579.db2.gz FDFNDDLWSDPQJG-HNNXBMFYSA-N 1 0 360.433 2.120 20 30 FEEDRO CCN(CC)C(=[NH2+])NCCCN(C1CC1)S(=O)(=O)c1cccc(F)c1 ZINC000270159579 550252878 /nfs/dbraw/zinc/25/28/78/550252878.db2.gz YAHUZMXEQAUUEE-UHFFFAOYSA-N 1 0 370.494 2.025 20 30 FEEDRO COc1cc(C#N)ccc1OCC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000270242392 550255785 /nfs/dbraw/zinc/25/57/85/550255785.db2.gz PEEQKSWLEJPNFQ-KRWDZBQOSA-N 1 0 357.454 2.136 20 30 FEEDRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)c2ccc(CC#N)cc2)CC1 ZINC000270356628 550264877 /nfs/dbraw/zinc/26/48/77/550264877.db2.gz QEDLMDGYXDOKIB-QZTJIDSGSA-N 1 0 354.498 2.383 20 30 FEEDRO Cc1cc(C#N)ccc1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000270852716 550313888 /nfs/dbraw/zinc/31/38/88/550313888.db2.gz MCJOXIJFUFOJTF-CTNGQTDRSA-N 1 0 363.461 2.480 20 30 FEEDRO Cc1cc(C[NH+]2CCN(c3cc(C#N)ccn3)CC2)ccc1-n1cncn1 ZINC000271053335 550335498 /nfs/dbraw/zinc/33/54/98/550335498.db2.gz XWRPMPKJAMBISV-UHFFFAOYSA-N 1 0 359.437 2.165 20 30 FEEDRO COCCN(CCNC(=[NH2+])Nc1ccc(OC)cc1)C(=O)OC(C)(C)C ZINC000271097865 550340095 /nfs/dbraw/zinc/34/00/95/550340095.db2.gz XBNNKDYVECIZFZ-UHFFFAOYSA-N 1 0 366.462 2.305 20 30 FEEDRO Cc1cc(NC(=O)N2CCC(OCC[NH+]3CCCC3)CC2)nn1CCC#N ZINC000272121677 550424176 /nfs/dbraw/zinc/42/41/76/550424176.db2.gz SIAXPLJCUQUVDR-UHFFFAOYSA-N 1 0 374.489 2.214 20 30 FEEDRO C[N@@H+]1CC[C@H]2CCN(S(=O)(=O)c3ccc(C#N)c(C(F)(F)F)c3)[C@H]2C1 ZINC000272278352 550434175 /nfs/dbraw/zinc/43/41/75/550434175.db2.gz DGFPOWHULQIBTR-NHYWBVRUSA-N 1 0 373.400 2.292 20 30 FEEDRO CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)N(CCC#N)CC(C)(C)C)CC1=O ZINC000494411536 561469151 /nfs/dbraw/zinc/46/91/51/561469151.db2.gz BVMKSDAMIVYFQF-SJORKVTESA-N 1 0 362.518 2.108 20 30 FEEDRO COc1cc(C#N)ccc1OCCCC(=O)N[C@@H](C)C1=CC[N@H+](C)CC1 ZINC000272672094 550464151 /nfs/dbraw/zinc/46/41/51/550464151.db2.gz JFYWASIIKVXNQM-HNNXBMFYSA-N 1 0 357.454 2.492 20 30 FEEDRO COCCOc1ccc(C#N)cc1NC(=O)N[C@@H](C)C1=CC[N@H+](C)CC1 ZINC000273149981 550487510 /nfs/dbraw/zinc/48/75/10/550487510.db2.gz HPHLBRXGHPLLLC-AWEZNQCLSA-N 1 0 358.442 2.355 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)c2c[nH]nc2-c2ccc3c(c2)OCO3)CC1 ZINC000273181789 550488845 /nfs/dbraw/zinc/48/88/45/550488845.db2.gz KANVMUNGCVPVJE-UHFFFAOYSA-N 1 0 354.410 2.186 20 30 FEEDRO C[C@H](NCC(=O)NCc1ccc(C#N)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000273314704 550494180 /nfs/dbraw/zinc/49/41/80/550494180.db2.gz VGUOPGHVZMPHJC-QFBILLFUSA-N 1 0 354.498 2.417 20 30 FEEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[NH2+][C@@H](C)[C@@H](C)CO)c1C#N ZINC000273951462 550516981 /nfs/dbraw/zinc/51/69/81/550516981.db2.gz FMWLIFHUQLFJRC-JSGCOSHPSA-N 1 0 358.442 2.163 20 30 FEEDRO C=CCc1ccc(OC[C@@H](O)C[NH2+][C@H](CCO)c2ccco2)c(OC)c1 ZINC000274400351 550535918 /nfs/dbraw/zinc/53/59/18/550535918.db2.gz JOYSWAVXPOHPFG-DLBZAZTESA-N 1 0 361.438 2.470 20 30 FEEDRO CC[N@H+](CCO)CCNC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 ZINC000274400577 550535998 /nfs/dbraw/zinc/53/59/98/550535998.db2.gz MOUCPCUBNCQSKN-UHFFFAOYSA-N 1 0 373.482 2.041 20 30 FEEDRO COc1ccc(CNC(=[NH2+])N[C@H](C)CNC(=O)OC(C)(C)C)cc1OC ZINC000274476812 550539556 /nfs/dbraw/zinc/53/95/56/550539556.db2.gz OATGVGUUTBGAHL-GFCCVEGCSA-N 1 0 366.462 2.021 20 30 FEEDRO CS[C@H]1CN(CC(=O)N(CCC#N)c2ccccc2)C[C@@H]1[NH+]1CCCC1 ZINC000275102439 550570578 /nfs/dbraw/zinc/57/05/78/550570578.db2.gz QVLWLCNKXQHWGQ-OALUTQOASA-N 1 0 372.538 2.445 20 30 FEEDRO CCN(CCC#N)C(=O)C(=O)Nc1ccc(OCC[NH+](CC)CC)cc1 ZINC000275757618 550574351 /nfs/dbraw/zinc/57/43/51/550574351.db2.gz UEYOUUIWORODQO-UHFFFAOYSA-N 1 0 360.458 2.108 20 30 FEEDRO CCCCOc1cccc(NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C)c1 ZINC000275859870 550574813 /nfs/dbraw/zinc/57/48/13/550574813.db2.gz LXMUZGMGYPBSBS-UHFFFAOYSA-N 1 0 374.485 2.498 20 30 FEEDRO C=CCN(C(=O)C(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1C)C1CC1 ZINC000276040207 550576223 /nfs/dbraw/zinc/57/62/23/550576223.db2.gz JGLXVFZFZGKJQQ-UHFFFAOYSA-N 1 0 370.497 2.252 20 30 FEEDRO C=CCc1ccc(OC[C@H](O)C[N@@H+](C)CCOCCOCC)c(OC)c1 ZINC000276310892 550577890 /nfs/dbraw/zinc/57/78/90/550577890.db2.gz XFBFLOASWWTQNO-GOSISDBHSA-N 1 0 367.486 2.148 20 30 FEEDRO C=CCC[N@@H+](C)[C@H](C)C(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1 ZINC000276476234 550578866 /nfs/dbraw/zinc/57/88/66/550578866.db2.gz SFWGVGLDBHKDNI-CQSZACIVSA-N 1 0 353.488 2.208 20 30 FEEDRO N#Cc1ncccc1S(=O)(=O)N(CC[NH+]1CCCC1)c1ccccc1 ZINC000276994940 550619654 /nfs/dbraw/zinc/61/96/54/550619654.db2.gz JALGBGPZGBVSIY-UHFFFAOYSA-N 1 0 356.451 2.244 20 30 FEEDRO C[C@H](NS(=O)(=O)c1cccnc1C#N)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000277006725 550621106 /nfs/dbraw/zinc/62/11/06/550621106.db2.gz INFYJVBFTMDBBO-RDJZCZTQSA-N 1 0 370.478 2.142 20 30 FEEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC000277152844 550637625 /nfs/dbraw/zinc/63/76/25/550637625.db2.gz RBWQZQMNEQCBAI-INIZCTEOSA-N 1 0 372.469 2.227 20 30 FEEDRO N#Cc1ccc(NC(=O)C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)c(Cl)c1 ZINC000277461134 550673190 /nfs/dbraw/zinc/67/31/90/550673190.db2.gz IURDGWSNRWTXDK-CQSZACIVSA-N 1 0 360.845 2.283 20 30 FEEDRO C=C(C)C[NH+]1CCC(Nc2ncccc2S(=O)(=O)NC(C)C)CC1 ZINC000277564836 550685284 /nfs/dbraw/zinc/68/52/84/550685284.db2.gz ASFMNZRTXZFEOB-UHFFFAOYSA-N 1 0 352.504 2.221 20 30 FEEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)C2CCN(c3oc(C)nc3C#N)CC2)[C@H](C)C1 ZINC000277814428 550717081 /nfs/dbraw/zinc/71/70/81/550717081.db2.gz WNTASDPZDVKNIR-KDOFPFPSSA-N 1 0 373.501 2.260 20 30 FEEDRO C[C@H]1C[N@H+](CCCNC(=O)NC2(c3cccc(C#N)c3)CC2)CCCO1 ZINC000277865380 550723033 /nfs/dbraw/zinc/72/30/33/550723033.db2.gz ZOBPJUGHSXOJPM-INIZCTEOSA-N 1 0 356.470 2.347 20 30 FEEDRO CCOCCC[NH+]=C(NCc1ccc(OC)cc1)NCc1cccnn1 ZINC000278370306 550778237 /nfs/dbraw/zinc/77/82/37/550778237.db2.gz XTPOJOOGEMSBOJ-UHFFFAOYSA-N 1 0 357.458 2.147 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2ncnn2-c2ccccc2)CC1 ZINC000278374694 550778824 /nfs/dbraw/zinc/77/88/24/550778824.db2.gz CEGFBWIVLKVQIZ-UHFFFAOYSA-N 1 0 354.458 2.107 20 30 FEEDRO N#CCCn1cc(C[NH2+]CCCNC(=O)C2CCC2)c(-c2ccncc2)n1 ZINC000278769883 550820159 /nfs/dbraw/zinc/82/01/59/550820159.db2.gz YEQFHYMAOZVMKX-UHFFFAOYSA-N 1 0 366.469 2.255 20 30 FEEDRO C#CCn1ccc(CN(CC)C(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)n1 ZINC000279200021 550864248 /nfs/dbraw/zinc/86/42/48/550864248.db2.gz JAVBXYPWWDKQMW-ROUUACIJSA-N 1 0 359.518 2.416 20 30 FEEDRO C[C@H](O)C[C@@H]1CCCCN1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000279806092 550930802 /nfs/dbraw/zinc/93/08/02/550930802.db2.gz POVNPGJHLJBMGI-YJBOKZPZSA-N 1 0 367.453 2.308 20 30 FEEDRO C[C@H](O)C[C@@H]1CCCCN1CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000279829191 550933696 /nfs/dbraw/zinc/93/36/96/550933696.db2.gz QYXJDRBQKCQACI-DZKIICNBSA-N 1 0 368.437 2.137 20 30 FEEDRO C[NH+]1CCC([C@H]2CCN(C(=O)[C@@H](C#N)Cc3ccc(C#N)cc3)C2)CC1 ZINC000279888455 550939718 /nfs/dbraw/zinc/93/97/18/550939718.db2.gz CURCGEKEQYDNQI-VQTJNVASSA-N 1 0 350.466 2.431 20 30 FEEDRO CN(C(=[NH2+])NCc1nc(-c2cccc(Br)c2)no1)C1CC1 ZINC000280342296 550983074 /nfs/dbraw/zinc/98/30/74/550983074.db2.gz AHAQWJLTSUPAFZ-UHFFFAOYSA-N 1 0 350.220 2.408 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000280897293 551043628 /nfs/dbraw/zinc/04/36/28/551043628.db2.gz FUGVACIYOHUASO-MOPGFXCFSA-N 1 0 357.498 2.366 20 30 FEEDRO C=CCN1CC[C@@H]([N@H+](C)C[C@@H](O)COc2cc(C)ccc2Cl)C1=O ZINC000281310669 551083545 /nfs/dbraw/zinc/08/35/45/551083545.db2.gz KPCPNNOWFCROHD-GDBMZVCRSA-N 1 0 352.862 2.107 20 30 FEEDRO COc1cc(C[NH2+]CCN(C)S(=O)(=O)c2cccs2)ccc1C#N ZINC000281734449 551136807 /nfs/dbraw/zinc/13/68/07/551136807.db2.gz QBBNTBBTSMQBSD-UHFFFAOYSA-N 1 0 365.480 2.039 20 30 FEEDRO CC(C)Oc1ccc(NC(=O)NCCN2CC[N@H+](C)C(C)(C)C2)cc1C#N ZINC000281894461 551154577 /nfs/dbraw/zinc/15/45/77/551154577.db2.gz RGMKRDNBUVIYBD-UHFFFAOYSA-N 1 0 373.501 2.493 20 30 FEEDRO Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NCC1CCC(C#N)CC1 ZINC000282075052 551177009 /nfs/dbraw/zinc/17/70/09/551177009.db2.gz QZGQHXBMSKJTOS-UHFFFAOYSA-N 1 0 356.470 2.441 20 30 FEEDRO C=CCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000282141822 551185860 /nfs/dbraw/zinc/18/58/60/551185860.db2.gz BMHXBHKAIOHTGV-GOSISDBHSA-N 1 0 369.517 2.390 20 30 FEEDRO C=CCn1c(-c2ccc(C)o2)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000282265731 551203565 /nfs/dbraw/zinc/20/35/65/551203565.db2.gz LVBZJYBPDQPIQV-INIZCTEOSA-N 1 0 357.458 2.191 20 30 FEEDRO COc1cc[nH+]c(N2CCN(C(=O)NCC3CCC(C#N)CC3)CC2)c1 ZINC000282410499 551224883 /nfs/dbraw/zinc/22/48/83/551224883.db2.gz XUBMMEITPOJFRK-UHFFFAOYSA-N 1 0 357.458 2.252 20 30 FEEDRO C[C@@](C#N)(NC(=O)C[NH2+][C@@]1(Cc2ccc(Cl)cc2)CCOC1)C1CC1 ZINC000282722814 551263572 /nfs/dbraw/zinc/26/35/72/551263572.db2.gz MCCIKMAYKRHWMZ-RBUKOAKNSA-N 1 0 361.873 2.440 20 30 FEEDRO C[C@@](C#N)(NC(=O)C[NH2+][C@]1(Cc2ccc(Cl)cc2)CCOC1)C1CC1 ZINC000282722812 551263660 /nfs/dbraw/zinc/26/36/60/551263660.db2.gz MCCIKMAYKRHWMZ-OALUTQOASA-N 1 0 361.873 2.440 20 30 FEEDRO CCN(CCC[NH+](CC)CC)C(=O)C(=O)N[C@@H](C)c1ccc(C#N)cc1 ZINC000283506718 551378656 /nfs/dbraw/zinc/37/86/56/551378656.db2.gz BGGFIFUWURPIIA-INIZCTEOSA-N 1 0 358.486 2.316 20 30 FEEDRO C=C(C)Cn1c(-c2ccc[nH]2)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000283570823 551389737 /nfs/dbraw/zinc/38/97/37/551389737.db2.gz JLKMLGAFEQVVDP-INIZCTEOSA-N 1 0 356.474 2.008 20 30 FEEDRO C=CCN(CCc1ccccc1)C(=O)C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000283947711 551455413 /nfs/dbraw/zinc/45/54/13/551455413.db2.gz RDLOAFRRIXCLKZ-SFHVURJKSA-N 1 0 357.498 2.092 20 30 FEEDRO CC(C)N(Cc1ccc(C#N)cc1)C(=O)C(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000283990844 551463508 /nfs/dbraw/zinc/46/35/08/551463508.db2.gz JHJGEHDEJXXVJV-KRWDZBQOSA-N 1 0 370.497 2.143 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H](C)Oc2ccc(C)cc2)CC1 ZINC000284042510 551473689 /nfs/dbraw/zinc/47/36/89/551473689.db2.gz MDUCHUDQUNNQFH-QGZVFWFLSA-N 1 0 373.497 2.035 20 30 FEEDRO C[C@H]([NH2+][C@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1)C(=O)N(C)CCC#N ZINC000284288649 551515802 /nfs/dbraw/zinc/51/58/02/551515802.db2.gz NTUSEFOYVFMSCK-ZLIFDBKOSA-N 1 0 350.413 2.060 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)NCCCCOc2ccc(C)cc2)CC1 ZINC000284371238 551534860 /nfs/dbraw/zinc/53/48/60/551534860.db2.gz GYGQBCWBVRESML-UHFFFAOYSA-N 1 0 373.497 2.037 20 30 FEEDRO C[C@@H](NC(=O)C(=O)NC[C@H](c1cccs1)[NH+](C)C)c1ccc(C#N)cc1 ZINC000284398720 551541212 /nfs/dbraw/zinc/54/12/12/551541212.db2.gz MZXXQIXRRIVLMG-CZUORRHYSA-N 1 0 370.478 2.216 20 30 FEEDRO CCS(=O)(=O)c1ccc([C@@H](C)[NH2+]CC(=O)N[C@](C)(C#N)C(C)C)cc1 ZINC000284652043 551599197 /nfs/dbraw/zinc/59/91/97/551599197.db2.gz FINRHYUSTOQDEV-RDTXWAMCSA-N 1 0 365.499 2.185 20 30 FEEDRO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@@H]1[C@@H]1COCC[C@@]1(C)O ZINC000284900338 551662300 /nfs/dbraw/zinc/66/23/00/551662300.db2.gz SZAIPFKBNIHKBZ-GVZBARQTSA-N 1 0 357.454 2.137 20 30 FEEDRO CC[C@H](CC#N)NC(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1c1cnn(C)c1 ZINC000285354105 551742942 /nfs/dbraw/zinc/74/29/42/551742942.db2.gz DNYPMJXFROIBJR-AQNXPRMDSA-N 1 0 365.481 2.444 20 30 FEEDRO N#Cc1ccc(OC2CC[NH+](CCn3cc([N+](=O)[O-])cn3)CC2)c(F)c1 ZINC000285420637 551753799 /nfs/dbraw/zinc/75/37/99/551753799.db2.gz GNXXHQXNQYYICU-UHFFFAOYSA-N 1 0 359.361 2.345 20 30 FEEDRO CC[NH+]1CCN([C@H]2CCN(C(=O)C(C)(C)c3cc(F)cc(C#N)c3)C2)CC1 ZINC000285519079 551768936 /nfs/dbraw/zinc/76/89/36/551768936.db2.gz YZAMTMMBNLVJJI-IBGZPJMESA-N 1 0 372.488 2.213 20 30 FEEDRO C[C@@H](C1CC[NH+](C)CC1)N(C)S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000498886819 561536849 /nfs/dbraw/zinc/53/68/49/561536849.db2.gz CTVVNHRTFGAWOU-NSHDSACASA-N 1 0 357.426 2.187 20 30 FEEDRO C[C@@H]1CN(C(=O)C2CCN(c3ccc(C#N)cc3F)CC2)C[C@H]1[NH+](C)C ZINC000285969153 551833043 /nfs/dbraw/zinc/83/30/43/551833043.db2.gz GZZFZAINDCDEBA-AUUYWEPGSA-N 1 0 358.461 2.322 20 30 FEEDRO COCCC(=O)N1CCC([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)CC1 ZINC000286037840 551841564 /nfs/dbraw/zinc/84/15/64/551841564.db2.gz JOFKLPALYCISPR-UHFFFAOYSA-N 1 0 370.497 2.144 20 30 FEEDRO N#CCCN(CCC#N)C(=O)C[N@@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 ZINC000286065182 551844711 /nfs/dbraw/zinc/84/47/11/551844711.db2.gz RRLKXAPTYZSBBD-HSALFYBXSA-N 1 0 366.465 2.147 20 30 FEEDRO CNC(=O)CC[C@H]1CCCC[N@@H+]1CC(=O)N(CCC#N)c1ccccc1 ZINC000286359889 551878471 /nfs/dbraw/zinc/87/84/71/551878471.db2.gz HKTZSMZAKHTWCH-QGZVFWFLSA-N 1 0 356.470 2.314 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H]2c2ccc(OC)cc2)CC1 ZINC000286492214 551892359 /nfs/dbraw/zinc/89/23/59/551892359.db2.gz JWOPELRADPBMIE-IBGZPJMESA-N 1 0 371.481 2.125 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H]2c2cccc(OC)c2)CC1 ZINC000286505293 551894016 /nfs/dbraw/zinc/89/40/16/551894016.db2.gz KNLWIBSBUUMHME-LJQANCHMSA-N 1 0 371.481 2.125 20 30 FEEDRO C[C@@H]1CN(C(=O)C(C)(C)c2cc(F)cc(C#N)c2)CC[N@@H+]1CC(C)(C)O ZINC000286655057 551911071 /nfs/dbraw/zinc/91/10/71/551911071.db2.gz CGGZTHBIJZAFCP-CQSZACIVSA-N 1 0 361.461 2.279 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H](CC)c2nc(C)cs2)CC1 ZINC000286813057 551928714 /nfs/dbraw/zinc/92/87/14/551928714.db2.gz VTKGPYYQFGCJNI-OAHLLOKOSA-N 1 0 364.515 2.176 20 30 FEEDRO N#Cc1ccc(N2CC[C@@H](C(=O)N3CC[N@@H+]4CCCC[C@@H]4C3)C2)c(F)c1 ZINC000286886043 551936403 /nfs/dbraw/zinc/93/64/03/551936403.db2.gz IUBFRHBWFYKECZ-IAGOWNOFSA-N 1 0 356.445 2.220 20 30 FEEDRO C#CCOc1cc(F)ccc1NC(=O)N1C[C@H](N2CCOCC2)C[C@@H]1C ZINC000287191647 551974745 /nfs/dbraw/zinc/97/47/45/551974745.db2.gz QANBMNYONNKJPE-GOEBONIOSA-N 1 0 361.417 2.165 20 30 FEEDRO C#CC[C@H](Cc1ccccc1)NC(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000287231545 551979123 /nfs/dbraw/zinc/97/91/23/551979123.db2.gz FZYPKRQFLCNQBO-QHAWAJNXSA-N 1 0 369.509 2.298 20 30 FEEDRO CC(C)N(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000287286156 551985422 /nfs/dbraw/zinc/98/54/22/551985422.db2.gz UJRXEXGQVSGZNT-MOPGFXCFSA-N 1 0 370.497 2.284 20 30 FEEDRO C=CCOc1cccc(NC(=O)C(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000288037692 552078926 /nfs/dbraw/zinc/07/89/26/552078926.db2.gz INJHVLBSUPTMHG-SJPCQFCGSA-N 1 0 357.454 2.274 20 30 FEEDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000288190069 552107288 /nfs/dbraw/zinc/10/72/88/552107288.db2.gz OVFBIKTWIXLMLO-ZBFHGGJFSA-N 1 0 371.485 2.138 20 30 FEEDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000288208976 552111177 /nfs/dbraw/zinc/11/11/77/552111177.db2.gz SZFDTCNCLNTSLC-ZBFHGGJFSA-N 1 0 371.485 2.138 20 30 FEEDRO C=CCN1CC[C@@H](N(CCO)Cc2ccc(Br)s2)C1=O ZINC000499717950 561556849 /nfs/dbraw/zinc/55/68/49/561556849.db2.gz IVTNCXRUZBYVAZ-GFCCVEGCSA-N 1 0 359.289 2.092 20 30 FEEDRO C[NH+](C)CCCOc1cnccc1CNC(=O)NCC#Cc1ccccc1 ZINC000288396815 552146479 /nfs/dbraw/zinc/14/64/79/552146479.db2.gz BCRFOEMEPJKPPZ-UHFFFAOYSA-N 1 0 366.465 2.263 20 30 FEEDRO C=CCN1CC[C@H](N(C)CC(=O)N2CCC(Cc3ccccc3)CC2)C1=O ZINC000499992072 561563596 /nfs/dbraw/zinc/56/35/96/561563596.db2.gz UKMJDVBULMNTPK-FQEVSTJZSA-N 1 0 369.509 2.186 20 30 FEEDRO C#CCOc1ccc(C[NH2+]C[C@@H](CO)Cc2ccc(OC)c(O)c2)cc1 ZINC000289504553 552331933 /nfs/dbraw/zinc/33/19/33/552331933.db2.gz TZCUVPHKDNXJHQ-SFHVURJKSA-N 1 0 355.434 2.354 20 30 FEEDRO C=C[C@H](CO)[NH2+]Cc1ccc(OCC(=O)N2CCCCC2)c(OCC)c1 ZINC000289725776 552368361 /nfs/dbraw/zinc/36/83/61/552368361.db2.gz FXPODSUCPXNXMS-QGZVFWFLSA-N 1 0 362.470 2.113 20 30 FEEDRO N#Cc1cncc(S(=O)(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)c1 ZINC000289762210 552374543 /nfs/dbraw/zinc/37/45/43/552374543.db2.gz LQVXGCSEESZPAS-GOSISDBHSA-N 1 0 356.451 2.069 20 30 FEEDRO C=C(C)CN(Cc1ccccc1)C(=O)C(=O)N[C@H](C)C1=CC[N@H+](C)CC1 ZINC000289852116 552389351 /nfs/dbraw/zinc/38/93/51/552389351.db2.gz VBNKVLXBCXRKFA-QGZVFWFLSA-N 1 0 355.482 2.358 20 30 FEEDRO C[C@@H](CNC(=O)C(=O)Nc1ccc(C#N)c(F)c1)[N@H+](C)Cc1ccccc1 ZINC000290232817 552446097 /nfs/dbraw/zinc/44/60/97/552446097.db2.gz LCAVDJPEFVACKK-AWEZNQCLSA-N 1 0 368.412 2.273 20 30 FEEDRO CCO[C@H]1C[C@@H](N(C)CCS(=O)(=O)c2ccc(C#N)cn2)C12CCC2 ZINC000290262947 552450257 /nfs/dbraw/zinc/45/02/57/552450257.db2.gz KVSWFDVGISNROL-CVEARBPZSA-N 1 0 363.483 2.006 20 30 FEEDRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNS(=O)(=O)Cc1cc(C#N)ccc1F ZINC000500928957 561585849 /nfs/dbraw/zinc/58/58/49/561585849.db2.gz HLRSHQIHQHVDPW-OKILXGFUSA-N 1 0 353.463 2.380 20 30 FEEDRO CC[NH+]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCO2)CC1 ZINC000291028874 552578238 /nfs/dbraw/zinc/57/82/38/552578238.db2.gz FBMCHJHFPGRSCL-SFHVURJKSA-N 1 0 366.469 2.138 20 30 FEEDRO C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000291068296 552582886 /nfs/dbraw/zinc/58/28/86/552582886.db2.gz QJZLPOMQFBFNJC-IRXDYDNUSA-N 1 0 374.533 2.257 20 30 FEEDRO COCCCN(C(=O)[C@@H](C)Oc1ccc(C#N)cc1)C1CC[NH+](C)CC1 ZINC000291106697 552587385 /nfs/dbraw/zinc/58/73/85/552587385.db2.gz GDKKIQMQKMKWGR-MRXNPFEDSA-N 1 0 359.470 2.285 20 30 FEEDRO C=C(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[NH+](CC)CC1 ZINC000291177202 552596530 /nfs/dbraw/zinc/59/65/30/552596530.db2.gz ZQYQZGSXJBQTGM-UHFFFAOYSA-N 1 0 366.469 2.447 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)Nc1cn(C)nc1C1CC1)C(C)C ZINC000291352907 552617840 /nfs/dbraw/zinc/61/78/40/552617840.db2.gz PXOMIJFWNOIIFD-KRWDZBQOSA-N 1 0 373.501 2.051 20 30 FEEDRO C[N@@H+]1CC[C@]2(CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3C#N)C2)C1 ZINC000291622345 552644558 /nfs/dbraw/zinc/64/45/58/552644558.db2.gz CKNVLFTZPGIEHG-HNNXBMFYSA-N 1 0 373.400 2.293 20 30 FEEDRO COc1cc(C#N)ccc1OCC[NH2+][C@@H](C(N)=O)[C@@H](C)c1ccccc1 ZINC000292039678 552687304 /nfs/dbraw/zinc/68/73/04/552687304.db2.gz AJIJBDFGNZPVCH-IFXJQAMLSA-N 1 0 353.422 2.193 20 30 FEEDRO CC(C)(NCCS(=O)(=O)c1ccc(C#N)cn1)c1ccccc1[N+](=O)[O-] ZINC000292045398 552687780 /nfs/dbraw/zinc/68/77/80/552687780.db2.gz AYURKYMJVCTGHN-UHFFFAOYSA-N 1 0 374.422 2.160 20 30 FEEDRO N#Cc1ccc(O[C@@H]2CC[N@@H+](C[C@@H](O)COc3ccccc3Cl)C2)nc1 ZINC000292125456 552696267 /nfs/dbraw/zinc/69/62/67/552696267.db2.gz IHMCITCIWRHFGF-HZPDHXFCSA-N 1 0 373.840 2.500 20 30 FEEDRO Cc1ccc(CN(CC[NH+](C)C)S(=O)(=O)c2ccc(C#N)c(F)c2)o1 ZINC000292948259 552773834 /nfs/dbraw/zinc/77/38/34/552773834.db2.gz JOFHGQPQGXEUJY-UHFFFAOYSA-N 1 0 365.430 2.351 20 30 FEEDRO O=C(C[N@H+]1CCC[C@H](O)CC1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000293092998 552787970 /nfs/dbraw/zinc/78/79/70/552787970.db2.gz KNZJJPUBKDPRHN-INIZCTEOSA-N 1 0 354.372 2.020 20 30 FEEDRO O=C(C[N@H+]1CCC[C@@H](O)CC1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000293092999 552788116 /nfs/dbraw/zinc/78/81/16/552788116.db2.gz KNZJJPUBKDPRHN-MRXNPFEDSA-N 1 0 354.372 2.020 20 30 FEEDRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)C(=O)Nc2sccc2C#N)C1 ZINC000293164585 552795061 /nfs/dbraw/zinc/79/50/61/552795061.db2.gz TYMGOGJODRWMIS-BETUJISGSA-N 1 0 362.499 2.431 20 30 FEEDRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)C(=O)Nc3cc(C#N)ccc3Cl)C2)C1 ZINC000293377061 552817277 /nfs/dbraw/zinc/81/72/77/552817277.db2.gz NFSSIVPKZCYFHO-GOSISDBHSA-N 1 0 360.845 2.094 20 30 FEEDRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3cc(-c4cccc(C#N)c4)no3)[C@H]2C1 ZINC000293983242 552872638 /nfs/dbraw/zinc/87/26/38/552872638.db2.gz VVBJNOXFDMQGOZ-ZWKOTPCHSA-N 1 0 366.421 2.148 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)[C@@H]1CCCN(C(=O)Nc2cccc(C)c2)C1 ZINC000293989872 552873330 /nfs/dbraw/zinc/87/33/30/552873330.db2.gz NUOWZOOXIQETOP-GOSISDBHSA-N 1 0 370.497 2.310 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000294042253 552877482 /nfs/dbraw/zinc/87/74/82/552877482.db2.gz SNXLRHAYHGEJFJ-UHFFFAOYSA-N 1 0 354.204 2.042 20 30 FEEDRO CCCN(CC[NH+]1CCCCCC1)C(=O)C(=O)Nc1ccc(C#N)cn1 ZINC000295033497 552952851 /nfs/dbraw/zinc/95/28/51/552952851.db2.gz OTLAOTALUJYKBR-UHFFFAOYSA-N 1 0 357.458 2.006 20 30 FEEDRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]CCCC#N ZINC000295510512 553018691 /nfs/dbraw/zinc/01/86/91/553018691.db2.gz UUKJZUPYDYHKFA-LLVKDONJSA-N 1 0 354.248 2.356 20 30 FEEDRO C=CCCN(C)C(=O)C(=O)N(CC[NH+](CC)CC)CCC(F)(F)F ZINC000297901817 553354960 /nfs/dbraw/zinc/35/49/60/553354960.db2.gz WFOMYQAQFHLIBN-UHFFFAOYSA-N 1 0 351.413 2.144 20 30 FEEDRO C=CCN(CCc1ccco1)C(=O)C(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000297930151 553358636 /nfs/dbraw/zinc/35/86/36/553358636.db2.gz YMKJPQKJFOHBMI-KRWDZBQOSA-N 1 0 361.486 2.170 20 30 FEEDRO COC[C@@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCC2)[C@H]1CCCO1 ZINC000298448454 553426291 /nfs/dbraw/zinc/42/62/91/553426291.db2.gz HHQNRSDKBIIPQR-HUUCEWRRSA-N 1 0 363.483 2.221 20 30 FEEDRO COC[C@@H]([NH2+]CCC(=O)Nc1ccc(C#N)c(Cl)c1)[C@H]1CCCO1 ZINC000298584221 553444680 /nfs/dbraw/zinc/44/46/80/553444680.db2.gz RDUSIBZXQOEWGB-HZPDHXFCSA-N 1 0 351.834 2.324 20 30 FEEDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)CNc1ccc(C#N)cn1 ZINC000601707129 553460109 /nfs/dbraw/zinc/46/01/09/553460109.db2.gz VVXURWFCOIGTIX-LPHOPBHVSA-N 1 0 363.465 2.249 20 30 FEEDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)CNc1ccc(C#N)cn1 ZINC000601707130 553460205 /nfs/dbraw/zinc/46/02/05/553460205.db2.gz VVXURWFCOIGTIX-QFBILLFUSA-N 1 0 363.465 2.249 20 30 FEEDRO N#Cc1ccc(N2CC[C@H]([NH2+][C@@H](CC(N)=O)C3CCCCC3)C2=O)cc1 ZINC000298856663 553481734 /nfs/dbraw/zinc/48/17/34/553481734.db2.gz IWNDSRRGSXQPDD-ROUUACIJSA-N 1 0 354.454 2.077 20 30 FEEDRO C[C@@H](C#N)CN(C)C(=O)NCCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000298962105 553495795 /nfs/dbraw/zinc/49/57/95/553495795.db2.gz NBRWLTPMYHFNPO-IBGZPJMESA-N 1 0 371.529 2.385 20 30 FEEDRO NC(=NOCC(=O)NCc1ccco1)c1ccccc1C[NH+]1CCCCC1 ZINC000299385759 553556010 /nfs/dbraw/zinc/55/60/10/553556010.db2.gz YALQLGYXNNGRHF-UHFFFAOYSA-N 1 0 370.453 2.219 20 30 FEEDRO C=CCCc1ccccc1NC(=O)C(=O)NC1CC[NH+](CCCOC)CC1 ZINC000504057687 561652600 /nfs/dbraw/zinc/65/26/00/561652600.db2.gz RZVYFLNBTTXQPF-UHFFFAOYSA-N 1 0 373.497 2.361 20 30 FEEDRO N#Cc1ccc(N2CC[C@@H](N3CCN(c4cncc(F)c4)CC3)C2=O)cc1 ZINC000299734797 553609989 /nfs/dbraw/zinc/60/99/89/553609989.db2.gz ZXOGDRJYDHOGSQ-LJQANCHMSA-N 1 0 365.412 2.020 20 30 FEEDRO C[N@H+](Cc1ccccc1)C1CN(C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000504672621 561661140 /nfs/dbraw/zinc/66/11/40/561661140.db2.gz BLOYVONHVDCRSU-HXUWFJFHSA-N 1 0 351.450 2.114 20 30 FEEDRO C[C@@H](CNc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1)N1CC[NH+](C)CC1 ZINC000301410268 553649759 /nfs/dbraw/zinc/64/97/59/553649759.db2.gz OPTZNZFIJHEUSS-ZDUSSCGKSA-N 1 0 354.414 2.062 20 30 FEEDRO N#Cc1ccc(C(F)(F)F)nc1N1CCC[C@H]1C[N@H+]1CCC[C@@H]1CO ZINC000301576479 553662922 /nfs/dbraw/zinc/66/29/22/553662922.db2.gz YUMQZQGZMKFDHU-UONOGXRCSA-N 1 0 354.376 2.398 20 30 FEEDRO CO[C@H](C)c1noc(CN2CCCN(c3c(C#N)cccc3C#N)CC2)n1 ZINC000302905228 553741213 /nfs/dbraw/zinc/74/12/13/553741213.db2.gz VROOFDMXBFOSHY-CQSZACIVSA-N 1 0 366.425 2.233 20 30 FEEDRO C[C@@H]1CCC[C@@](C[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)(N(C)C)C1 ZINC000327064715 553785958 /nfs/dbraw/zinc/78/59/58/553785958.db2.gz YJJBUILXCXHNFO-VQIMIIECSA-N 1 0 363.527 2.432 20 30 FEEDRO CCn1nc(NC(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)cc1C1CC1 ZINC000328606604 553795423 /nfs/dbraw/zinc/79/54/23/553795423.db2.gz KNXFEOKKEQMLBN-UHFFFAOYSA-N 1 0 374.533 2.665 20 30 FEEDRO Cc1ccc([C@@H](CNC(=O)N2CCN(C3CC3)C(=O)C2)[NH+]2CCCC2)cc1 ZINC000328647710 553801808 /nfs/dbraw/zinc/80/18/08/553801808.db2.gz ABKCAWXQPPVGGQ-LJQANCHMSA-N 1 0 370.497 2.353 20 30 FEEDRO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCC[C@@H]1[C@@H]1COCC[C@H]1O ZINC000328697682 553808784 /nfs/dbraw/zinc/80/87/84/553808784.db2.gz DRBFSHMKXAKZAF-GSEOLPGOSA-N 1 0 371.481 2.184 20 30 FEEDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@@H]1CCC2(CCOCC2)[C@@H]1O ZINC000328722768 553812604 /nfs/dbraw/zinc/81/26/04/553812604.db2.gz XSQRHFWTOZVDIW-VSZNYVQBSA-N 1 0 367.534 2.178 20 30 FEEDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1C[C@@H]2COC[C@H](C1)O2 ZINC000328737240 553814680 /nfs/dbraw/zinc/81/46/80/553814680.db2.gz LQMQAPZUDJAIAL-OTWHNJEPSA-N 1 0 373.497 2.301 20 30 FEEDRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)Nc1nccn1-c1ccccc1 ZINC000328753591 553816892 /nfs/dbraw/zinc/81/68/92/553816892.db2.gz SABMEAZJAWBXJY-HNNXBMFYSA-N 1 0 357.458 2.195 20 30 FEEDRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@H]1COCC(=O)N1Cc1ccccc1 ZINC000328869700 553836130 /nfs/dbraw/zinc/83/61/30/553836130.db2.gz PFMZHJYVNQDGLR-SJLPKXTDSA-N 1 0 359.470 2.245 20 30 FEEDRO CC[NH+]1CCC(NC(=O)N2CCN(C(=O)Cc3ccccc3C)CC2)CC1 ZINC000328872733 553836508 /nfs/dbraw/zinc/83/65/08/553836508.db2.gz QQTAITINLDNPOY-UHFFFAOYSA-N 1 0 372.513 2.080 20 30 FEEDRO CC(C)(C)N1C[C@H](C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CC1=O ZINC000328921189 553844747 /nfs/dbraw/zinc/84/47/47/553844747.db2.gz CDNMSEIPGAGRAV-DJIMGWMZSA-N 1 0 365.518 2.358 20 30 FEEDRO O=C(N[C@H]1CCCN(c2ccccc2F)C1=O)N1CC[NH+](C2CCC2)CC1 ZINC000328924968 553845906 /nfs/dbraw/zinc/84/59/06/553845906.db2.gz VSMRPZDXGBXUAU-KRWDZBQOSA-N 1 0 374.460 2.405 20 30 FEEDRO C[NH+](C)C1(CNC(=O)N2CCC[C@@H]2[C@@H]2COCC[C@]2(C)O)CCCC1 ZINC000328936112 553848754 /nfs/dbraw/zinc/84/87/54/553848754.db2.gz CODSTHPSRRGWBP-JZXOWHBKSA-N 1 0 353.507 2.027 20 30 FEEDRO C[C@H](NC(=O)CC1CCCCC1)C(=O)N1CCO[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000328961694 553853506 /nfs/dbraw/zinc/85/35/06/553853506.db2.gz KVIMLZPDVJKLOE-USXIJHARSA-N 1 0 351.491 2.233 20 30 FEEDRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C2(c3cc(F)cc(C#N)c3)CC2)C1 ZINC000506013709 561687400 /nfs/dbraw/zinc/68/74/00/561687400.db2.gz YYDFZFALJPOFAB-SFHVURJKSA-N 1 0 359.445 2.202 20 30 FEEDRO C[C@@H]1C[C@@H](NC(=O)[C@@H]2[C@@H](C)OCC(=O)N2Cc2ccccc2)C[N@@H+]1C1CC1 ZINC000329001497 553862206 /nfs/dbraw/zinc/86/22/06/553862206.db2.gz XOCMYGOKMKSNBK-YVTWGWGSSA-N 1 0 371.481 2.384 20 30 FEEDRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@H]1CC(=O)N(C2CCCCC2)C1 ZINC000329104301 553881141 /nfs/dbraw/zinc/88/11/41/553881141.db2.gz GOWHICNOFIIFHX-CVEARBPZSA-N 1 0 350.507 2.298 20 30 FEEDRO C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCO[C@]3(CCOC3)C2)C[N@@H+]1Cc1ccccc1 ZINC000329112262 553882705 /nfs/dbraw/zinc/88/27/05/553882705.db2.gz KMBZPFOUNMSATF-RDPOXOKHSA-N 1 0 373.497 2.491 20 30 FEEDRO CC(C)(CNC(=O)N1CCC[C@@H]1[C@@H]1COCC[C@@]1(C)O)C[NH+]1CCCC1 ZINC000329160845 553892339 /nfs/dbraw/zinc/89/23/39/553892339.db2.gz FAJXMVPCZCHTAA-SQGPQFPESA-N 1 0 367.534 2.274 20 30 FEEDRO Cc1nc(CC2CC2)oc1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000329176656 553895937 /nfs/dbraw/zinc/89/59/37/553895937.db2.gz BYCNAIMKKUJUBC-MQVJKMGUSA-N 1 0 374.485 2.324 20 30 FEEDRO CN1CC[C@@H]([NH+]2CCC(NC(=O)c3sccc3OC(F)F)CC2)C1=O ZINC000329177899 553896143 /nfs/dbraw/zinc/89/61/43/553896143.db2.gz MYJBPMXTHKZWJV-LLVKDONJSA-N 1 0 373.425 2.349 20 30 FEEDRO CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)N[C@@H]2CCO[C@@H](C(C)C)C2)C1 ZINC000329185730 553897963 /nfs/dbraw/zinc/89/79/63/553897963.db2.gz ORZRYXCPKHQBSU-VSZNYVQBSA-N 1 0 353.507 2.289 20 30 FEEDRO C[C@H]1C[C@@H](N2CCOCC2)CN1CC(=O)NC(=O)N[C@H]1CCCC[C@H]1C ZINC000329197660 553900316 /nfs/dbraw/zinc/90/03/16/553900316.db2.gz VKLYMVWQEDIKFW-TWMKSMIVSA-N 1 0 366.506 2.231 20 30 FEEDRO CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H](C)NC(=O)C3CCCCC3)C2)CC1 ZINC000329198922 553900976 /nfs/dbraw/zinc/90/09/76/553900976.db2.gz WULWIMXHBXGNNP-FUHWJXTLSA-N 1 0 364.534 2.150 20 30 FEEDRO CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(CC(=O)Nc2nc3c(s2)CCC3)C1 ZINC000329211398 553903166 /nfs/dbraw/zinc/90/31/66/553903166.db2.gz ZDPLACROTUSOBN-KBPBESRZSA-N 1 0 364.515 2.405 20 30 FEEDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)c1cccc(N2CCCS2(=O)=O)c1 ZINC000329213353 553903666 /nfs/dbraw/zinc/90/36/66/553903666.db2.gz JGVBRSWDXUTOHP-KRWDZBQOSA-N 1 0 365.499 2.406 20 30 FEEDRO O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)N1CCC[C@@H]1C1CCOCC1 ZINC000329219667 553905277 /nfs/dbraw/zinc/90/52/77/553905277.db2.gz ABQDXQZSDDBLAL-QFBILLFUSA-N 1 0 365.518 2.292 20 30 FEEDRO CC(C)C(=O)Nc1nc(CC(=O)NC[C@@H]2C[N@H+](C)CCN2C)cs1 ZINC000329244139 553909767 /nfs/dbraw/zinc/90/97/67/553909767.db2.gz UGMBAZSHHDUNAD-CYBMUJFWSA-N 1 0 353.492 2.132 20 30 FEEDRO C[C@H](NC(=O)N[C@@H]1CCc2nc(C(C)(C)C)cn2C1)c1nnc2n1CCC2 ZINC000329244158 553909994 /nfs/dbraw/zinc/90/99/94/553909994.db2.gz UGXZZKQIUCEVKB-QWHCGFSZSA-N 1 0 371.489 2.298 20 30 FEEDRO C[NH+](C)[C@H](CNC(=O)N1CCO[C@]2(CCCOC2)C1)C1CCCCC1 ZINC000329298544 553920347 /nfs/dbraw/zinc/92/03/47/553920347.db2.gz ULCHTSQLHFLJID-IEBWSBKVSA-N 1 0 353.507 2.292 20 30 FEEDRO C[C@@H](NC(=O)NCCc1cc(F)cc2c1OCOC2)C1=CC[N@H+](C)CC1 ZINC000329338565 553928107 /nfs/dbraw/zinc/92/81/07/553928107.db2.gz NESSNCFUJHLEIQ-CYBMUJFWSA-N 1 0 363.433 2.389 20 30 FEEDRO CNC(=O)Cn1cc(NC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)cn1 ZINC000329391807 553937934 /nfs/dbraw/zinc/93/79/34/553937934.db2.gz RVKNQCZUSUXYEQ-CQSZACIVSA-N 1 0 351.476 2.275 20 30 FEEDRO CNC(=O)Cn1cc(NC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)cn1 ZINC000329391806 553937989 /nfs/dbraw/zinc/93/79/89/553937989.db2.gz RVKNQCZUSUXYEQ-AWEZNQCLSA-N 1 0 351.476 2.275 20 30 FEEDRO COc1ccc(NC(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)cc1N1CCCC1=O ZINC000329471332 553952613 /nfs/dbraw/zinc/95/26/13/553952613.db2.gz ZLTQJORQQIUDFB-RHSMWYFYSA-N 1 0 372.469 2.394 20 30 FEEDRO CC(C)(C)N1C[C@H](C(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)CC1=O ZINC000329477277 553953899 /nfs/dbraw/zinc/95/38/99/553953899.db2.gz UKGGYQKOCKFZRB-MSOLQXFVSA-N 1 0 373.497 2.357 20 30 FEEDRO CC[N@@H+]1CC[C@@H](N(C)CC(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)C[C@H]1C ZINC000329513495 553960419 /nfs/dbraw/zinc/96/04/19/553960419.db2.gz LMKVFWWWXUVTOQ-UKRRQHHQSA-N 1 0 372.469 2.305 20 30 FEEDRO O=C(CN1CC[NH+](CC2CCOCC2)CC1)Nc1ccc2c(c1)OCO2 ZINC000329548563 553965734 /nfs/dbraw/zinc/96/57/34/553965734.db2.gz CHFHSVDJSLVGAZ-UHFFFAOYSA-N 1 0 361.442 2.048 20 30 FEEDRO C[C@@H]1C(=O)CC[C@H](C(=O)N2CCC(C(=O)NCC[NH+](C)C)CC2)C1(C)C ZINC000329582941 553971793 /nfs/dbraw/zinc/97/17/93/553971793.db2.gz LOUSNMZQJKJMFN-GDBMZVCRSA-N 1 0 365.518 2.385 20 30 FEEDRO C[N@@H+]1CCCC12CCN(CC(=O)NC[C@H]1COc3ccccc3O1)CC2 ZINC000329617747 553976894 /nfs/dbraw/zinc/97/68/94/553976894.db2.gz DUSDAPMTQFTTBF-INIZCTEOSA-N 1 0 359.470 2.343 20 30 FEEDRO O=C(CN1CC[N@@H+]2CCCC[C@@H]2C1)NC(=O)Nc1ccc2c(c1)OCO2 ZINC000329637506 553980727 /nfs/dbraw/zinc/98/07/27/553980727.db2.gz AIAWQQZVTMRAIX-CQSZACIVSA-N 1 0 360.414 2.087 20 30 FEEDRO C[C@H](NC(=O)N1C[C@@H](C)S(=O)(=O)[C@@H](C)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000329770282 554003071 /nfs/dbraw/zinc/00/30/71/554003071.db2.gz IQKYWPUFPHWGQV-FZKCQIBNSA-N 1 0 371.547 2.061 20 30 FEEDRO CCO[C@@H]1C[C@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)[C@]12CCCO2 ZINC000329789442 554006203 /nfs/dbraw/zinc/00/62/03/554006203.db2.gz SKUIKKHLHCVQPG-YUWODFAVSA-N 1 0 351.491 2.232 20 30 FEEDRO Cc1cncc(CNC(=O)N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)c1 ZINC000329795672 554007380 /nfs/dbraw/zinc/00/73/80/554007380.db2.gz WNRXSJKWTUZQKH-UHFFFAOYSA-N 1 0 359.518 2.154 20 30 FEEDRO C[C@@H]1CC(CNC(=O)N2CC[NH+](CC3CCOCC3)CC2)C[C@@H](C)O1 ZINC000329811489 554010120 /nfs/dbraw/zinc/01/01/20/554010120.db2.gz RIQAFXVZBSUCPV-HZPDHXFCSA-N 1 0 353.507 2.148 20 30 FEEDRO C=C[C@](C)(O)CC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000507191213 561720697 /nfs/dbraw/zinc/72/06/97/561720697.db2.gz XXFLMJGBWBTYGN-CTNGQTDRSA-N 1 0 372.509 2.359 20 30 FEEDRO CN(C(=O)CNC(=O)N1CC[C@H]([NH+]2CCCCC2)C1)C1CCCCC1 ZINC000329828575 554013448 /nfs/dbraw/zinc/01/34/48/554013448.db2.gz RWUFHMNJWLZHDZ-KRWDZBQOSA-N 1 0 350.507 2.252 20 30 FEEDRO C=CCOCC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000507232463 561722003 /nfs/dbraw/zinc/72/20/03/561722003.db2.gz GVSBHDLMTFEMBY-IBGZPJMESA-N 1 0 358.482 2.234 20 30 FEEDRO CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C[C@@H]1CCC2(CCCCC2)O1 ZINC000329850408 554018245 /nfs/dbraw/zinc/01/82/45/554018245.db2.gz SEUCTMHOGDZETL-CVEARBPZSA-N 1 0 372.531 2.334 20 30 FEEDRO Cn1cc([C@]2(C)CN(C(=O)NCC3([NH+](C)C)CCCCC3)CCO2)cn1 ZINC000329963935 554039465 /nfs/dbraw/zinc/03/94/65/554039465.db2.gz UFBGRNLJLGSMME-SFHVURJKSA-N 1 0 363.506 2.146 20 30 FEEDRO Cc1ccc(N2CCC[C@H](NC(=O)N3CC[C@@H](C[NH+]4CCCC4)C3)C2)nn1 ZINC000329970379 554041832 /nfs/dbraw/zinc/04/18/32/554041832.db2.gz XDDUQTYMSBBGMU-ROUUACIJSA-N 1 0 372.517 2.086 20 30 FEEDRO CC(C)c1nnc([C@@H]2CN(C(=O)N[C@@H]3C[C@H](C)[N@@H+](C4CC4)C3)CCO2)o1 ZINC000329981195 554043538 /nfs/dbraw/zinc/04/35/38/554043538.db2.gz MUGOPOVFJQICSL-GUTXKFCHSA-N 1 0 363.462 2.106 20 30 FEEDRO CN(C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1)C(=O)N[C@H]1CCSC1 ZINC000329984329 554043716 /nfs/dbraw/zinc/04/37/16/554043716.db2.gz QFCJMDILZGUKOE-CWRNSKLLSA-N 1 0 351.520 2.154 20 30 FEEDRO COc1cc(C(=O)NCC2([NH+]3CCSCC3)CCCCC2)nn1C ZINC000329986757 554044751 /nfs/dbraw/zinc/04/47/51/554044751.db2.gz FOYWITNNEOSDFU-UHFFFAOYSA-N 1 0 352.504 2.485 20 30 FEEDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CC[C@H](N3CCCC3=O)C2)C1 ZINC000330069067 554058980 /nfs/dbraw/zinc/05/89/80/554058980.db2.gz VYGJGSOTJJJXOA-CVEARBPZSA-N 1 0 350.507 2.108 20 30 FEEDRO CC(C)(CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)N1CCS(=O)CC1 ZINC000330083771 554061585 /nfs/dbraw/zinc/06/15/85/554061585.db2.gz QPCUDIHVDRPOHE-INIZCTEOSA-N 1 0 369.575 2.440 20 30 FEEDRO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2C[C@H](C)C[C@H]2c2cccnc2)CC1 ZINC000330096296 554063914 /nfs/dbraw/zinc/06/39/14/554063914.db2.gz XCWLLOQUQKDVIG-HOJAQTOUSA-N 1 0 369.513 2.157 20 30 FEEDRO COC[C@H](NC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc(F)cc1 ZINC000330175937 554079024 /nfs/dbraw/zinc/07/90/24/554079024.db2.gz BYDCYUXIZJCLDK-YJBOKZPZSA-N 1 0 365.449 2.081 20 30 FEEDRO CN(Cc1ncnn1CC(F)F)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000330204546 554085261 /nfs/dbraw/zinc/08/52/61/554085261.db2.gz BRMPPASFBJSPPX-UHFFFAOYSA-N 1 0 358.437 2.152 20 30 FEEDRO CCn1ccnc1[C@@H](NC(=O)N1CC2(C1)CCOCC2)C1CCOCC1 ZINC000330209908 554085655 /nfs/dbraw/zinc/08/56/55/554085655.db2.gz HXYXFLULKGJOCU-INIZCTEOSA-N 1 0 362.474 2.397 20 30 FEEDRO Cc1ncc(S(=O)(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)cc1C#N ZINC000330211561 554086302 /nfs/dbraw/zinc/08/63/02/554086302.db2.gz JHONHKQRRBCMFA-QGZVFWFLSA-N 1 0 362.499 2.337 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CCOC3(CCOCC3)C2)CC1 ZINC000330234682 554090406 /nfs/dbraw/zinc/09/04/06/554090406.db2.gz STDYZWQNIJTNMT-QGZVFWFLSA-N 1 0 351.491 2.259 20 30 FEEDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)N[C@@H]3CCOC4(CCOCC4)C3)CC[C@@H]21 ZINC000330238190 554091048 /nfs/dbraw/zinc/09/10/48/554091048.db2.gz VCQOEKUFZKXAJK-ZACQAIPSSA-N 1 0 351.491 2.045 20 30 FEEDRO O=C(N[C@@H]1CCOC2(CCOCC2)C1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000330238465 554091059 /nfs/dbraw/zinc/09/10/59/554091059.db2.gz VFKOAWVTCGFRTL-IAGOWNOFSA-N 1 0 351.491 2.189 20 30 FEEDRO CC(C)CN1CCN(C(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)[C@H](C)C1=O ZINC000330243093 554091543 /nfs/dbraw/zinc/09/15/43/554091543.db2.gz CJZZAZOERGCRHY-SJORKVTESA-N 1 0 352.523 2.210 20 30 FEEDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCOC3(CCOCC3)C2)C1 ZINC000330271481 554097241 /nfs/dbraw/zinc/09/72/41/554097241.db2.gz VZTVBCGAPSLJGW-IAGOWNOFSA-N 1 0 353.507 2.339 20 30 FEEDRO CCC[NH+]1CCC(CNC(=O)N2C[C@H](C)O[C@]3(CCCOC3)C2)CC1 ZINC000330277829 554098386 /nfs/dbraw/zinc/09/83/86/554098386.db2.gz OVOMQNSRQSALOO-QFBILLFUSA-N 1 0 353.507 2.292 20 30 FEEDRO CCN1C(=O)CC[C@H](C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)[C@H]1c1cnn(C)c1 ZINC000330305620 554102830 /nfs/dbraw/zinc/10/28/30/554102830.db2.gz QUKJALYWWJJFBK-DODZYUBVSA-N 1 0 373.501 2.303 20 30 FEEDRO CCN(C[C@H](C)C#N)S(=O)(=O)N[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000330368856 554112203 /nfs/dbraw/zinc/11/22/03/554112203.db2.gz AQHHRGAXJARNEA-NUJGCVRESA-N 1 0 364.515 2.138 20 30 FEEDRO C[C@H](CC#N)N(C)S(=O)(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000330413772 554118669 /nfs/dbraw/zinc/11/86/69/554118669.db2.gz MPAHSQMBIIWDKO-SJORKVTESA-N 1 0 370.563 2.442 20 30 FEEDRO C[C@@H](CC[NH+](C)C)NC(=O)N1CCN(C(=O)CC2CCCCC2)CC1 ZINC000330424858 554120262 /nfs/dbraw/zinc/12/02/62/554120262.db2.gz FUGNNJNUMWECIW-INIZCTEOSA-N 1 0 352.523 2.355 20 30 FEEDRO CC1CC[NH+]([C@@H](CNS(=O)(=O)N(C)CCC#N)c2ccccc2)CC1 ZINC000330545638 554135906 /nfs/dbraw/zinc/13/59/06/554135906.db2.gz KIJKRDJXLAHKDQ-SFHVURJKSA-N 1 0 364.515 2.139 20 30 FEEDRO C[C@@H](C[NH+](C)C)NC(=O)c1sccc1S(=O)(=O)N1CCCCC1 ZINC000330683497 554156687 /nfs/dbraw/zinc/15/66/87/554156687.db2.gz RLADIWYFUYRXTO-LBPRGKRZSA-N 1 0 359.517 2.177 20 30 FEEDRO O=C(NCC1CC[NH+](CCO)CC1)Nc1nc(C(F)(F)F)cs1 ZINC000330707919 554161174 /nfs/dbraw/zinc/16/11/74/554161174.db2.gz VBXNDGXLYGIVGS-UHFFFAOYSA-N 1 0 352.382 2.192 20 30 FEEDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N2CCC(O)(C(F)(F)F)CC2)C1 ZINC000330707782 554161186 /nfs/dbraw/zinc/16/11/86/554161186.db2.gz QBLZNKOFUSFVLZ-ZDUSSCGKSA-N 1 0 351.413 2.268 20 30 FEEDRO CC1CC[NH+](CCCNC(=O)N2CCC(O)(C(F)(F)F)CC2)CC1 ZINC000330717293 554162569 /nfs/dbraw/zinc/16/25/69/554162569.db2.gz ZVIGHWHFSNVTGH-UHFFFAOYSA-N 1 0 351.413 2.412 20 30 FEEDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)Nc1ccccc1CS(C)(=O)=O ZINC000330725457 554163597 /nfs/dbraw/zinc/16/35/97/554163597.db2.gz ZPKYJFSQVJDTJX-CQSZACIVSA-N 1 0 367.515 2.439 20 30 FEEDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@@H]1CCC[C@@H](C(=O)NC(C)C)C1 ZINC000330795384 554172414 /nfs/dbraw/zinc/17/24/14/554172414.db2.gz GHXBVBFZRHQNDO-BRWVUGGUSA-N 1 0 352.523 2.448 20 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CC(C)(CC#N)CS(=O)(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000331338162 554248602 /nfs/dbraw/zinc/24/86/02/554248602.db2.gz RAZZWHPTFSSONJ-UHFFFAOYSA-N 1 0 359.561 2.207 20 30 FEEDRO N#CCN1CCC(CNC(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)CC1 ZINC000331479563 554271546 /nfs/dbraw/zinc/27/15/46/554271546.db2.gz TVPPWPKGHZJHBE-IBGZPJMESA-N 1 0 372.488 2.389 20 30 FEEDRO CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCCN(c3nc(C)ccc3C#N)C2)C1 ZINC000331874951 554336438 /nfs/dbraw/zinc/33/64/38/554336438.db2.gz PCXHQDAYDWMORG-ZWKOTPCHSA-N 1 0 355.486 2.079 20 30 FEEDRO CC(C)(C)[C@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)N1CCO[C@@H](C#N)C1 ZINC000331979103 554356705 /nfs/dbraw/zinc/35/67/05/554356705.db2.gz FBWJRKWBXWEQRK-OALUTQOASA-N 1 0 370.497 2.393 20 30 FEEDRO CCN(CC[NH+]1CCCCCC1)C(=O)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000509808957 561814904 /nfs/dbraw/zinc/81/49/04/561814904.db2.gz MNPHWXFMGZPOBP-UHFFFAOYSA-N 1 0 360.433 2.360 20 30 FEEDRO N#Cc1cc(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)ccc1C(F)(F)F ZINC000332322165 554424913 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XDQWURAMHSJKFN-PMACEKPBSA-N 1 0 365.481 2.302 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)NC2CCC(O)(c3cccc(F)c3)CC2)CC1 ZINC000360367607 554872768 /nfs/dbraw/zinc/87/27/68/554872768.db2.gz SXEIUUGMXIIJBH-UHFFFAOYSA-N 1 0 358.457 2.417 20 30 FEEDRO CC[N@@H+]1CCN(C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)C[C@@H]1C ZINC000613157009 554893989 /nfs/dbraw/zinc/89/39/89/554893989.db2.gz RDTMJUKIBBFBMX-AWEZNQCLSA-N 1 0 353.430 2.005 20 30 FEEDRO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C(=O)Nc2ccccn2)C1 ZINC000361799123 554935146 /nfs/dbraw/zinc/93/51/46/554935146.db2.gz PGYDMDHKMBOURQ-IAGOWNOFSA-N 1 0 356.470 2.321 20 30 FEEDRO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCC[C@@H](C(=O)Nc2ccccn2)C1 ZINC000361799122 554935293 /nfs/dbraw/zinc/93/52/93/554935293.db2.gz PGYDMDHKMBOURQ-DLBZAZTESA-N 1 0 356.470 2.321 20 30 FEEDRO CC[N@@H+]1CCN(CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)[C@H](C)C1 ZINC000511605283 561874032 /nfs/dbraw/zinc/87/40/32/561874032.db2.gz JOAWXKMRFIMMKR-OAHLLOKOSA-N 1 0 367.415 2.199 20 30 FEEDRO C#CCCOc1ccc(C[NH2+]C[C@@]2(N3CCOCC3)CCCOC2)cc1 ZINC000362217354 554956270 /nfs/dbraw/zinc/95/62/70/554956270.db2.gz HECPNMIJMPOBQH-NRFANRHFSA-N 1 0 358.482 2.060 20 30 FEEDRO COC(=O)c1ccoc1CC1CC[NH+](CCC(=O)N(C)CCC#N)CC1 ZINC000362362922 554966577 /nfs/dbraw/zinc/96/65/77/554966577.db2.gz WWCIKIZEPCNUKC-UHFFFAOYSA-N 1 0 361.442 2.083 20 30 FEEDRO CCC[NH+]1CCN(C2CCN(C(=O)NCc3ccc(C#N)cc3)CC2)CC1 ZINC000362701635 554981466 /nfs/dbraw/zinc/98/14/66/554981466.db2.gz IMIWVDKMIFMSEA-UHFFFAOYSA-N 1 0 369.513 2.260 20 30 FEEDRO COc1cc(/C=C/C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)ccc1OCC#N ZINC000363007282 555008727 /nfs/dbraw/zinc/00/87/27/555008727.db2.gz FXJOKFLKEZHBPP-DGDBIBOCSA-N 1 0 355.438 2.354 20 30 FEEDRO N#Cc1ccc(NC(=O)CN2CCC[C@H](C(=O)Nc3nccs3)C2)cc1 ZINC000363157821 555042772 /nfs/dbraw/zinc/04/27/72/555042772.db2.gz OBLGNEIRUOMHBD-AWEZNQCLSA-N 1 0 369.450 2.304 20 30 FEEDRO Cc1ccc(C#N)c(N2CCC[C@H](C(=O)NCCC[NH+]3CCCCC3)C2)n1 ZINC000363170932 555044958 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CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC000363634633 555151614 /nfs/dbraw/zinc/15/16/14/555151614.db2.gz VVLQNSIEZUEERR-RTBURBONSA-N 1 0 354.454 2.362 20 30 FEEDRO C[C@H](N[C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C)C(=O)Nc1cccc(C#N)c1 ZINC000363702513 555167873 /nfs/dbraw/zinc/16/78/73/555167873.db2.gz BZIPAPZAIGFVGD-GIYDNNGJSA-N 1 0 370.497 2.364 20 30 FEEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@H]2CCN(C(=O)c3ccncc3)C2)cc1 ZINC000363854976 555200145 /nfs/dbraw/zinc/20/01/45/555200145.db2.gz HTJIBGVLANMFHN-QAPCUYQASA-N 1 0 350.422 2.377 20 30 FEEDRO COC(=O)c1cn([C@H]2CCC[N@H+](CCCOc3cccc(C#N)c3)C2)nn1 ZINC000363999325 555230570 /nfs/dbraw/zinc/23/05/70/555230570.db2.gz JGDMWYNJSGEHAP-INIZCTEOSA-N 1 0 369.425 2.042 20 30 FEEDRO N#Cc1ccccc1Cn1cccc1C[N@H+]1CCC[C@H](N2CCNC2=O)C1 ZINC000364089696 555247660 /nfs/dbraw/zinc/24/76/60/555247660.db2.gz BJPLMHHTVGPYOD-FQEVSTJZSA-N 1 0 363.465 2.398 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)[C@@H]2CCN(c3ccc(F)c(F)c3)C2=O)CC1 ZINC000364193864 555267071 /nfs/dbraw/zinc/26/70/71/555267071.db2.gz ZIIQIYQZBNHOMI-HNNXBMFYSA-N 1 0 363.408 2.084 20 30 FEEDRO Cc1cccc(S(=O)(=O)N2C[C@@H](c3ccc(F)cc3)[C@H]([NH3+])C2)c1C#N ZINC000364291714 555285763 /nfs/dbraw/zinc/28/57/63/555285763.db2.gz OXSTVYCIIXIDJL-DLBZAZTESA-N 1 0 359.426 2.121 20 30 FEEDRO CC[N@H+](CCNC(=O)Nc1cc(C)n(-c2cccc(C#N)c2)n1)C1CC1 ZINC000364520324 555328558 /nfs/dbraw/zinc/32/85/58/555328558.db2.gz LFGRLJCGSIDTMU-UHFFFAOYSA-N 1 0 352.442 2.658 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)c2ccc([C@@H]3CCCCN3C(C)=O)n2C)CC1 ZINC000364634253 555358912 /nfs/dbraw/zinc/35/89/12/555358912.db2.gz ZZEWIPCCVGLUGV-IBGZPJMESA-N 1 0 372.513 2.479 20 30 FEEDRO CN(C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)C(=O)COc1ccccc1C#N ZINC000364671576 555370038 /nfs/dbraw/zinc/37/00/38/555370038.db2.gz IETIYTZRBULKBL-RXVVDRJESA-N 1 0 364.449 2.483 20 30 FEEDRO C=CCc1cc(C(=O)N2CCN([C@@H]3CCC[C@@H]3O)CC2)cc(OC)c1OC ZINC000364742404 555391065 /nfs/dbraw/zinc/39/10/65/555391065.db2.gz KVNJMMIOPILSNE-MSOLQXFVSA-N 1 0 374.481 2.104 20 30 FEEDRO C#CCOc1ccc(C(=O)N2CCC(N3CC[NH+](CCC)CC3)CC2)cc1 ZINC000364785078 555402087 /nfs/dbraw/zinc/40/20/87/555402087.db2.gz GKLBGRCWOKLHBI-UHFFFAOYSA-N 1 0 369.509 2.331 20 30 FEEDRO N#Cc1ccc(CN2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c(Br)c1 ZINC000364880460 555423682 /nfs/dbraw/zinc/42/36/82/555423682.db2.gz LQVNSSZKGSPKND-DLBZAZTESA-N 1 0 364.287 2.352 20 30 FEEDRO N#Cc1ncn(CC[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)n1 ZINC000512893912 561919041 /nfs/dbraw/zinc/91/90/41/561919041.db2.gz GNQAARLVMPHQMD-UHFFFAOYSA-N 1 0 358.405 2.390 20 30 FEEDRO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@]2(CCC[C@@H]2NC(=O)OC(C)(C)C)C1 ZINC000365229514 555517321 /nfs/dbraw/zinc/51/73/21/555517321.db2.gz QNTXEHIFVGCWEV-YZVOILCLSA-N 1 0 351.491 2.446 20 30 FEEDRO COCCNC(=O)c1c[nH]nc1[C@@H]1CCCN(CC#Cc2ccccc2)C1 ZINC000365253341 555523262 /nfs/dbraw/zinc/52/32/62/555523262.db2.gz DQAJHMFBAYJJPK-GOSISDBHSA-N 1 0 366.465 2.017 20 30 FEEDRO C=CCOc1ccc(C[NH2+]C[C@@H]2CCCCN2S(C)(=O)=O)cc1OC ZINC000513030894 561923101 /nfs/dbraw/zinc/92/31/01/561923101.db2.gz BFIQDVZVBBUSAH-INIZCTEOSA-N 1 0 368.499 2.164 20 30 FEEDRO N#Cc1ccncc1C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000513053572 561923473 /nfs/dbraw/zinc/92/34/73/561923473.db2.gz WOGSDQSFBBIODS-UHFFFAOYSA-N 1 0 350.422 2.358 20 30 FEEDRO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1NC(=O)NCc1cccc(C#N)c1 ZINC000365336492 555546277 /nfs/dbraw/zinc/54/62/77/555546277.db2.gz MXYVGVVWHDININ-AYOQOUSVSA-N 1 0 356.470 2.247 20 30 FEEDRO N#Cc1ncccc1S(=O)(=O)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000365403414 555566235 /nfs/dbraw/zinc/56/62/35/555566235.db2.gz GEGSWZMYAJZEFB-UHFFFAOYSA-N 1 0 374.441 2.035 20 30 FEEDRO C#Cc1ccccc1CC(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000365694279 555642701 /nfs/dbraw/zinc/64/27/01/555642701.db2.gz YWEGYWXZBMEMNK-UHFFFAOYSA-N 1 0 353.510 2.087 20 30 FEEDRO C#CC[C@@]1(C(=O)N2CC[C@H](C[NH+](C)C)C2)CCCN1C(=O)OC(C)(C)C ZINC000365977235 555716131 /nfs/dbraw/zinc/71/61/31/555716131.db2.gz FVNOAVKGIITNMV-UZLBHIALSA-N 1 0 363.502 2.190 20 30 FEEDRO COc1ccc(C[N@H+](C)C2CCN(CCO)CC2)cc1OCCCC#N ZINC000513557634 561942560 /nfs/dbraw/zinc/94/25/60/561942560.db2.gz GSEBSUXYLIJWNA-UHFFFAOYSA-N 1 0 361.486 2.266 20 30 FEEDRO N#Cc1ccsc1NC(=O)CCN1CC[NH+]([C@H]2CCSC2)CC1 ZINC000366074597 555743951 /nfs/dbraw/zinc/74/39/51/555743951.db2.gz RVPHMGNSVFJGTD-AWEZNQCLSA-N 1 0 350.513 2.071 20 30 FEEDRO Cc1c(C#N)cccc1C(=O)Nc1ccc(OC[C@@H](O)C[NH+](C)C)cc1 ZINC000513839694 561952058 /nfs/dbraw/zinc/95/20/58/561952058.db2.gz OWJXYYFCVJKMLX-KRWDZBQOSA-N 1 0 353.422 2.420 20 30 FEEDRO Cc1cccc(CC2(O)CCN(CC(=O)N[C@@](C)(C#N)C3CC3)CC2)c1 ZINC000366480934 555856712 /nfs/dbraw/zinc/85/67/12/555856712.db2.gz FHHUXQBSRGFLII-FQEVSTJZSA-N 1 0 355.482 2.173 20 30 FEEDRO C[C@H](CO)[N@@H+]1CCCN(c2nc3c(c(C#N)c2C#N)CCCCCC3)CC1 ZINC000366508461 555862900 /nfs/dbraw/zinc/86/29/00/555862900.db2.gz RPRCVGHHDUSZKH-MRXNPFEDSA-N 1 0 367.497 2.377 20 30 FEEDRO C[NH+](C)C[C@@H]1CN(C(=O)Cc2cccc(OCC#N)c2)c2ccccc2O1 ZINC000366885118 555960349 /nfs/dbraw/zinc/96/03/49/555960349.db2.gz UZLGBKOXWYEROQ-GOSISDBHSA-N 1 0 365.433 2.487 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@H](c2ccccc2)[C@@H]2CCOC2)nc1 ZINC000367307792 556014529 /nfs/dbraw/zinc/01/45/29/556014529.db2.gz LHBDKYWCWDEMRW-IEBWSBKVSA-N 1 0 371.462 2.094 20 30 FEEDRO N#Cc1cc(S(=O)(=O)N2[C@@H]3CC[C@H]2C[C@H]([NH3+])C3)ccc1C(F)(F)F ZINC000367596154 556092969 /nfs/dbraw/zinc/09/29/69/556092969.db2.gz DWNSHXHBUSLLJT-CNDDSTCGSA-N 1 0 359.373 2.220 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)CC1 ZINC000367626699 556100139 /nfs/dbraw/zinc/10/01/39/556100139.db2.gz DQOLSSIGCWHMLU-QGZVFWFLSA-N 1 0 368.456 2.128 20 30 FEEDRO C[NH+]1CCN([C@@H]2CCCCN(C(=O)c3cc(C#N)ccc3Cl)C2)CC1 ZINC000367638743 556102498 /nfs/dbraw/zinc/10/24/98/556102498.db2.gz QGHLGMKRNPLNPA-MRXNPFEDSA-N 1 0 360.889 2.454 20 30 FEEDRO C=CCN(C(=O)C[C@@H]1CCCC(=O)N1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000367953953 556181763 /nfs/dbraw/zinc/18/17/63/556181763.db2.gz YFNBQTCYQSPMFB-OALUTQOASA-N 1 0 355.482 2.334 20 30 FEEDRO C#CC[C@]1(C(=O)NC[C@@H]2CC[N@@H+](CC)C2)CCCN1C(=O)OC(C)(C)C ZINC000368013531 556195095 /nfs/dbraw/zinc/19/50/95/556195095.db2.gz BLDFEXBEJQXWMJ-OXJNMPFZSA-N 1 0 363.502 2.237 20 30 FEEDRO N#C[C@@H]1CN(C(=O)N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CCO1 ZINC000368186900 556242773 /nfs/dbraw/zinc/24/27/73/556242773.db2.gz BRPCTPMXLOJUCH-ZGXWSNOMSA-N 1 0 368.481 2.221 20 30 FEEDRO C=CCC[C@H](NC(=O)C(=O)N[C@H]1CCn2ccnc2C1)c1ccccc1 ZINC000515245718 562002355 /nfs/dbraw/zinc/00/23/55/562002355.db2.gz ZTNRTSXLMMQQNT-IRXDYDNUSA-N 1 0 352.438 2.138 20 30 FEEDRO C[N@@H+]1C[C@@H]2CN(S(=O)(=O)c3ccc(C#N)o3)C[C@H]2[C@@H]1c1ccccc1 ZINC000368619106 556364603 /nfs/dbraw/zinc/36/46/03/556364603.db2.gz NNRQKHMNLLMFOL-KYJSFNMBSA-N 1 0 357.435 2.075 20 30 FEEDRO N#Cc1cccc(S(=O)(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)c1 ZINC000515415995 562009732 /nfs/dbraw/zinc/00/97/32/562009732.db2.gz ANKXEOPBDQHSQR-AZUAARDMSA-N 1 0 367.474 2.453 20 30 FEEDRO CCC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1C[C@H](O)COc1ccc(C#N)cc1 ZINC000368666136 556379193 /nfs/dbraw/zinc/37/91/93/556379193.db2.gz CJTPZUPPDPTOOP-DFQSSKMNSA-N 1 0 371.481 2.163 20 30 FEEDRO C=CCCCCNC(=O)N(C)C1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000368809648 556419220 /nfs/dbraw/zinc/41/92/20/556419220.db2.gz JSQOKHNADBHPKS-UHFFFAOYSA-N 1 0 350.507 2.071 20 30 FEEDRO Cn1ccnc1[C@H]1CCCN(C(=O)NCCOc2ccc(C#N)cc2)C1 ZINC000368916559 556447756 /nfs/dbraw/zinc/44/77/56/556447756.db2.gz ZSDJPHSAJVXEPH-INIZCTEOSA-N 1 0 353.426 2.260 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC(NC(=O)C3CCC3)CC2)CC1 ZINC000369040985 556485837 /nfs/dbraw/zinc/48/58/37/556485837.db2.gz IWNOWDSAEYQMPN-UHFFFAOYSA-N 1 0 362.518 2.117 20 30 FEEDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)N1CCN(c2cnccc2C#N)CC1 ZINC000515952956 562026330 /nfs/dbraw/zinc/02/63/30/562026330.db2.gz RNENVTIVYJQPBY-SFHVURJKSA-N 1 0 370.501 2.049 20 30 FEEDRO C[NH+](C)Cc1c2ccccc2oc1C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000369317002 556573007 /nfs/dbraw/zinc/57/30/07/556573007.db2.gz IHRMWIYXYBGDSM-HNNXBMFYSA-N 1 0 352.438 2.307 20 30 FEEDRO COc1ccc([C@@H]2[C@@H](CNC(=O)N3CCO[C@H](C#N)C3)CCC[N@@H+]2C)cc1 ZINC000369399110 556590728 /nfs/dbraw/zinc/59/07/28/556590728.db2.gz ADZMNSFIFGGZBI-BHIYHBOVSA-N 1 0 372.469 2.012 20 30 FEEDRO C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCC[N@@H+](C2CCOCC2)CC1 ZINC000369543846 556627175 /nfs/dbraw/zinc/62/71/75/556627175.db2.gz NESBKXLETPQZOP-INIZCTEOSA-N 1 0 357.454 2.039 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N2CCC(OC3CCOCC3)CC2)CC1 ZINC000369601435 556643487 /nfs/dbraw/zinc/64/34/87/556643487.db2.gz JNNGJWJLQSVJSQ-UHFFFAOYSA-N 1 0 351.491 2.006 20 30 FEEDRO C[N@@H+]1C[C@@H]2CN(S(=O)(=O)c3ccccc3C#N)C[C@@H]2[C@H]1c1ccccc1 ZINC000369678090 556666324 /nfs/dbraw/zinc/66/63/24/556666324.db2.gz JLXYCURXVADXBE-WSTZPKSXSA-N 1 0 367.474 2.482 20 30 FEEDRO C=C(C)[C@H]1OCCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@@H]1C ZINC000369682577 556667542 /nfs/dbraw/zinc/66/75/42/556667542.db2.gz FRQVKZJZXYZOSJ-UURKPOQGSA-N 1 0 350.503 2.363 20 30 FEEDRO N#CC[C@@H]1C[C@H]2[C@@H](CCC[C@@H]2[NH2+]Cc2cccnc2N2CCOCC2)O1 ZINC000369848120 556711144 /nfs/dbraw/zinc/71/11/44/556711144.db2.gz SAJFACICQMEHQB-AKHDSKFASA-N 1 0 356.470 2.248 20 30 FEEDRO C[C@@H]1C[C@@H](N(C)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CC[N@@H+]1C ZINC000369859239 556714206 /nfs/dbraw/zinc/71/42/06/556714206.db2.gz AFIUAKXDZKPIJW-QAPCUYQASA-N 1 0 370.501 2.046 20 30 FEEDRO CCC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCN(c3nc(C)ccc3C#N)C2)C1 ZINC000369937515 556735523 /nfs/dbraw/zinc/73/55/23/556735523.db2.gz QHKVJQYGOVRGSE-PKOBYXMFSA-N 1 0 369.513 2.326 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)[C@@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)CC1 ZINC000370015014 556758113 /nfs/dbraw/zinc/75/81/13/556758113.db2.gz BFAYNPGKODYWHJ-PKOBYXMFSA-N 1 0 367.493 2.200 20 30 FEEDRO C=C(C)Cn1c(-c2cnn(C)c2)nnc1N1CC[N@@H+]([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000516719376 562055684 /nfs/dbraw/zinc/05/56/84/562055684.db2.gz UVQROPRDQVKTBE-XYJFISCASA-N 1 0 369.517 2.421 20 30 FEEDRO CCc1nc(CN2C[C@@H]3CN(Cc4cc(F)ccc4C#N)C[C@H]3C2)no1 ZINC000370413644 556865847 /nfs/dbraw/zinc/86/58/47/556865847.db2.gz GZMALAOQDDBENC-HOTGVXAUSA-N 1 0 355.417 2.207 20 30 FEEDRO C=CCC[C@H](O)C[NH+]1CCC([C@@H]2CCCCCN2C(=O)COC)CC1 ZINC000370487425 556887861 /nfs/dbraw/zinc/88/78/61/556887861.db2.gz DOYYBKIVUOHTQP-OALUTQOASA-N 1 0 352.519 2.443 20 30 FEEDRO C=CCC[C@@H](O)C[NH+]1CCC(C(=O)c2ccc3c(c2)NC(=O)CO3)CC1 ZINC000370503223 556892556 /nfs/dbraw/zinc/89/25/56/556892556.db2.gz PYBGEQVJCACNCW-MRXNPFEDSA-N 1 0 358.438 2.239 20 30 FEEDRO CCNC(=O)Nc1c[nH]nc1[C@@H]1CCC[N@H+](Cc2cc(C#N)n(C)c2)C1 ZINC000370621075 556922836 /nfs/dbraw/zinc/92/28/36/556922836.db2.gz AVVPDCLDOHNPHZ-CQSZACIVSA-N 1 0 355.446 2.141 20 30 FEEDRO CN1CCC([NH+]2CCC(CCNC(=O)C#Cc3ccccc3)CC2)CC1 ZINC000371084566 557069874 /nfs/dbraw/zinc/06/98/74/557069874.db2.gz HEMJQXKDXPSAHT-UHFFFAOYSA-N 1 0 353.510 2.351 20 30 FEEDRO CN1C(=O)N[C@@]2(CCC[C@H]2C[NH2+]Cc2cccc(OCCCC#N)c2)C1=O ZINC000371093472 557072771 /nfs/dbraw/zinc/07/27/71/557072771.db2.gz KTADORFBMWHVTG-OXJNMPFZSA-N 1 0 370.453 2.179 20 30 FEEDRO CN1C(=O)N[C@]2(CCC[C@H]2C[NH2+]Cc2cccc(OCCCC#N)c2)C1=O ZINC000371093471 557073028 /nfs/dbraw/zinc/07/30/28/557073028.db2.gz KTADORFBMWHVTG-JXFKEZNVSA-N 1 0 370.453 2.179 20 30 FEEDRO N#Cc1cccc([C@H]2CN(C(=O)NC[C@H]3CC[N@@H+](C4CC4)C3)CCO2)c1 ZINC000371283714 557130808 /nfs/dbraw/zinc/13/08/08/557130808.db2.gz LOXDJHZWJQMIAM-VQIMIIECSA-N 1 0 354.454 2.125 20 30 FEEDRO COc1ccc(CN2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cc1OCCCC#N ZINC000371325384 557146837 /nfs/dbraw/zinc/14/68/37/557146837.db2.gz DMDGGNMUBBRIEI-OALUTQOASA-N 1 0 373.497 2.409 20 30 FEEDRO C=CCN1C(=O)c2ccc(C(=O)NC3CC[NH+](CC4CC4)CC3)cc2C1=O ZINC000518061846 562103489 /nfs/dbraw/zinc/10/34/89/562103489.db2.gz LJSXIQBQLBIIHO-UHFFFAOYSA-N 1 0 367.449 2.073 20 30 FEEDRO CC1(C)C[N@@H+](C2(CNC(=O)C3(C#N)CCOCC3)CCCCC2)CCO1 ZINC000371585485 557230576 /nfs/dbraw/zinc/23/05/76/557230576.db2.gz RQJATLQNFUYLKX-UHFFFAOYSA-N 1 0 363.502 2.237 20 30 FEEDRO COc1cc(C[N@H+](CCO)C[C@H](C)O)ccc1OCc1cccc(C#N)c1 ZINC000517784547 562098048 /nfs/dbraw/zinc/09/80/48/562098048.db2.gz JUVHGBQKAIYCCU-INIZCTEOSA-N 1 0 370.449 2.321 20 30 FEEDRO N#Cc1cccc(CNC(=O)CN2CC[C@H](Oc3ccc(F)cc3)C2)c1 ZINC000371753245 557283630 /nfs/dbraw/zinc/28/36/30/557283630.db2.gz NSGAVKPJIWCFNK-IBGZPJMESA-N 1 0 353.397 2.467 20 30 FEEDRO CN1CC[NH+](CC2(C)CCN(C(=O)CCc3ccc(C#N)cc3)CC2)CC1 ZINC000371790283 557294539 /nfs/dbraw/zinc/29/45/39/557294539.db2.gz WOVRSURXBUXALS-UHFFFAOYSA-N 1 0 368.525 2.367 20 30 FEEDRO C=C(C)[C@H](CC(=O)N1CCN(C2CC[NH+](CCC)CC2)CC1)OCC ZINC000372300643 557433423 /nfs/dbraw/zinc/43/34/23/557433423.db2.gz DJBRWXXWKLVFSN-IBGZPJMESA-N 1 0 351.535 2.376 20 30 FEEDRO Cc1cc(NC(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)nn1-c1cccc(C#N)c1 ZINC000372373122 557453475 /nfs/dbraw/zinc/45/34/75/557453475.db2.gz BLXBOIHOKCYKAW-QAPCUYQASA-N 1 0 364.453 2.753 20 30 FEEDRO C=CCN(C(=O)[C@H]1CCCN(C(N)=O)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000372598775 557516748 /nfs/dbraw/zinc/51/67/48/557516748.db2.gz HGOMAZXDDITJJF-RBUKOAKNSA-N 1 0 370.497 2.066 20 30 FEEDRO Cc1nnc(Cn2c3c(cc(C#N)c2=O)C[N@@H+](Cc2ccccc2)CC3)o1 ZINC000519617865 562137352 /nfs/dbraw/zinc/13/73/52/562137352.db2.gz QDNKPJXISDSFJZ-UHFFFAOYSA-N 1 0 361.405 2.018 20 30 FEEDRO N#Cc1ccc([C@H](O)C[N@@H+]2CCC[C@@H](C(=O)Nc3nccs3)C2)cc1 ZINC000372797594 557564394 /nfs/dbraw/zinc/56/43/94/557564394.db2.gz BGAKHPFHJOSHBY-HZPDHXFCSA-N 1 0 356.451 2.399 20 30 FEEDRO Cc1ccc(O[C@H](C)C[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)cc1 ZINC000519760009 562142899 /nfs/dbraw/zinc/14/28/99/562142899.db2.gz OKXSNQUTIDGGTK-OAHLLOKOSA-N 1 0 359.451 2.093 20 30 FEEDRO N#Cc1ccsc1NC(=O)CC[NH2+][C@@H]1CCCC[C@H]1N1CCOCC1 ZINC000373073044 557622048 /nfs/dbraw/zinc/62/20/48/557622048.db2.gz AQDPYBNRHFJKOG-HZPDHXFCSA-N 1 0 362.499 2.181 20 30 FEEDRO N#C[C@H](c1cccs1)N1CCN(C(=O)C[N@@H+]2CCCC23CCC3)CC1 ZINC000373091357 557626703 /nfs/dbraw/zinc/62/67/03/557626703.db2.gz BUNQBODHHKRPJB-MRXNPFEDSA-N 1 0 358.511 2.475 20 30 FEEDRO C=CCNC(=O)CNC(=O)N1CCC[C@H]1[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000373185735 557646386 /nfs/dbraw/zinc/64/63/86/557646386.db2.gz LBHYPORCVPXYRZ-OALUTQOASA-N 1 0 370.497 2.127 20 30 FEEDRO C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000373322141 557671946 /nfs/dbraw/zinc/67/19/46/557671946.db2.gz VBIKOVXZAVZMOD-PSBWJHGTSA-N 1 0 350.503 2.315 20 30 FEEDRO CCOc1c(OC)cc(C[NH+]2CCC(n3cnc(C#N)n3)CC2)cc1OC ZINC000373486558 557702471 /nfs/dbraw/zinc/70/24/71/557702471.db2.gz SGDRLWONFLBQIW-UHFFFAOYSA-N 1 0 371.441 2.403 20 30 FEEDRO Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N(C)CC[N@H+](C)C3CC3)C2)n1 ZINC000373490788 557703617 /nfs/dbraw/zinc/70/36/17/557703617.db2.gz UJBBNULYDKRKMU-QGZVFWFLSA-N 1 0 355.486 2.031 20 30 FEEDRO N#Cc1cnn(-c2ccc(C(=O)NCCC[NH+]3CCCCCC3)cc2)c1N ZINC000520495266 562157570 /nfs/dbraw/zinc/15/75/70/562157570.db2.gz PIBSOLLBDOWPLO-UHFFFAOYSA-N 1 0 366.469 2.322 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N2C[C@H](C)O[C@]3(CCO[C@@H](C)C3)C2)CC1 ZINC000373777625 557757221 /nfs/dbraw/zinc/75/72/21/557757221.db2.gz NMXCSXNDMHSOAF-ZWOKBUDYSA-N 1 0 365.518 2.395 20 30 FEEDRO C=CCN(Cc1nnc2n1CCOC2)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000373897761 557782360 /nfs/dbraw/zinc/78/23/60/557782360.db2.gz CMBYEDZANZZIKA-GOSISDBHSA-N 1 0 353.470 2.071 20 30 FEEDRO CCC[NH+]1CCC(N2CCN(c3ccc(C#N)cc3[N+](=O)[O-])CC2)CC1 ZINC000374010262 557806821 /nfs/dbraw/zinc/80/68/21/557806821.db2.gz AWHWTJUQUVBFDZ-UHFFFAOYSA-N 1 0 357.458 2.463 20 30 FEEDRO C=CCN1CC[C@@H]([N@@H+](C)[C@@H]2CCN(c3cc(OC)cc(OC)c3)C2)C1=O ZINC000374109857 557825260 /nfs/dbraw/zinc/82/52/60/557825260.db2.gz URHXHSLMQTYVPU-DNVCBOLYSA-N 1 0 359.470 2.001 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH2+]C[C@H]1CN(C2CC2)CCO1 ZINC000374222363 557845594 /nfs/dbraw/zinc/84/55/94/557845594.db2.gz KPFGSLRWCZHTMD-WBVHZDCISA-N 1 0 363.527 2.104 20 30 FEEDRO C[NH+](C)Cc1ccc(C(=O)N2C[C@@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)cc1 ZINC000374332395 557867101 /nfs/dbraw/zinc/86/71/01/557867101.db2.gz RRUMUPNMYFRMRQ-VGSWGCGISA-N 1 0 374.444 2.234 20 30 FEEDRO N#Cc1ccc([C@H](O)C[NH+]2CCC3(C[C@@H]3C(=O)N3CCCC3)CC2)cc1 ZINC000374472709 557888555 /nfs/dbraw/zinc/88/85/55/557888555.db2.gz RBJZGYSAFGYOLH-RTBURBONSA-N 1 0 353.466 2.316 20 30 FEEDRO N#Cc1ccc([C@@H](O)C[NH+]2CCC3(C[C@@H]3C(=O)N3CCCC3)CC2)cc1 ZINC000374472705 557888600 /nfs/dbraw/zinc/88/86/00/557888600.db2.gz RBJZGYSAFGYOLH-MOPGFXCFSA-N 1 0 353.466 2.316 20 30 FEEDRO N#Cc1ccc([C@H](O)C[N@@H+]2CCC[C@H](CNC(=O)c3ccco3)C2)cc1 ZINC000374565429 557900485 /nfs/dbraw/zinc/90/04/85/557900485.db2.gz GZFJXHZKGVBKRO-SJLPKXTDSA-N 1 0 353.422 2.327 20 30 FEEDRO CN(C)c1noc([C@@H]2CCC[N@H+](CCC(=O)Nc3ccc(C#N)cc3)C2)n1 ZINC000374634652 557909826 /nfs/dbraw/zinc/90/98/26/557909826.db2.gz AAXOFJKSEQHVBB-OAHLLOKOSA-N 1 0 368.441 2.215 20 30 FEEDRO N#C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C[C@H]3CCCc4ccccc43)C2)CCO1 ZINC000374929321 557952823 /nfs/dbraw/zinc/95/28/23/557952823.db2.gz KTQULYJAOFLKAD-CEXWTWQISA-N 1 0 353.466 2.179 20 30 FEEDRO C[N@@H+]1CC[C@H]2CCN(C(=O)CCCC(=O)Nc3ccccc3C#N)C[C@@H]21 ZINC000375018188 557964796 /nfs/dbraw/zinc/96/47/96/557964796.db2.gz IULDCJLKDGWDPJ-YJBOKZPZSA-N 1 0 354.454 2.220 20 30 FEEDRO C#Cc1cc(F)c(NC(=O)C(=O)NCc2nc(C)n3c2CCCC3)c(F)c1 ZINC000375022782 557965829 /nfs/dbraw/zinc/96/58/29/557965829.db2.gz KKLHCGRFGWKKBM-UHFFFAOYSA-N 1 0 372.375 2.042 20 30 FEEDRO CN1CC[C@H]([NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)[C@@H]1c1ccccc1 ZINC000375070829 557973526 /nfs/dbraw/zinc/97/35/26/557973526.db2.gz JZPOWZVPUNXWKC-PMACEKPBSA-N 1 0 369.490 2.367 20 30 FEEDRO N#Cc1c(Cl)cccc1S(=O)(=O)N1CCCC2(CC[NH2+]CC2)C1 ZINC000375279469 558003509 /nfs/dbraw/zinc/00/35/09/558003509.db2.gz MTPQRKYCMTYZHC-UHFFFAOYSA-N 1 0 353.875 2.366 20 30 FEEDRO CC1CCC([NH+]2CCC(NS(=O)(=O)c3cccnc3C#N)CC2)CC1 ZINC000375441448 558027663 /nfs/dbraw/zinc/02/76/63/558027663.db2.gz QHRJSEOXLPKNEH-UHFFFAOYSA-N 1 0 362.499 2.275 20 30 FEEDRO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H](Nc3cc(OC)cc(OC)c3)C2)C1=O ZINC000375615555 558057278 /nfs/dbraw/zinc/05/72/78/558057278.db2.gz ZUDZOFOHGORRRJ-HNAYVOBHSA-N 1 0 359.470 2.367 20 30 FEEDRO CCc1nnc(N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)c(C#N)c1CC ZINC000375874805 558092269 /nfs/dbraw/zinc/09/22/69/558092269.db2.gz RSTWXCCJQPRAKA-MRXNPFEDSA-N 1 0 356.518 2.078 20 30 FEEDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1cccc(Cl)c1C#N ZINC000376349636 558161507 /nfs/dbraw/zinc/16/15/07/558161507.db2.gz JCOSBSVMSZBBQC-WFASDCNBSA-N 1 0 353.875 2.459 20 30 FEEDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000376348871 558161571 /nfs/dbraw/zinc/16/15/71/558161571.db2.gz HNUMEZRHROOZSZ-LRDDRELGSA-N 1 0 353.875 2.459 20 30 FEEDRO CC(C)[C@@](C)(C#N)NC(=O)CN1CCC2(C[C@@H]2C(=O)N2CCCCC2)CC1 ZINC000376641023 558201951 /nfs/dbraw/zinc/20/19/51/558201951.db2.gz IHRYGACNCMRLOC-YLJYHZDGSA-N 1 0 374.529 2.155 20 30 FEEDRO CC(C)(CCC#N)CNC(=O)NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000377034520 558254037 /nfs/dbraw/zinc/25/40/37/558254037.db2.gz PJYDDSYLXLXEED-ROUUACIJSA-N 1 0 358.486 2.251 20 30 FEEDRO C[C@H]1COCCN1CC[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000522213881 562194385 /nfs/dbraw/zinc/19/43/85/562194385.db2.gz GUDBOFNMMLTFIR-KRWDZBQOSA-N 1 0 353.470 2.274 20 30 FEEDRO CC(C)(C#N)c1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000377427115 558338280 /nfs/dbraw/zinc/33/82/80/558338280.db2.gz QAVKJJCVALIPOL-SJORKVTESA-N 1 0 354.454 2.169 20 30 FEEDRO C[N@H+](Cc1ccc(C#N)cc1F)C1CCN(CC(=O)N2CCCC2)CC1 ZINC000377575063 558368609 /nfs/dbraw/zinc/36/86/09/558368609.db2.gz KIMRJVCKDPQEAX-UHFFFAOYSA-N 1 0 358.461 2.216 20 30 FEEDRO CN1CC[C@H]([NH2+]CC(=O)N[C@@](C)(C#N)C2CC2)[C@H]1c1ccc(Cl)cc1 ZINC000377650367 558386694 /nfs/dbraw/zinc/38/66/94/558386694.db2.gz MDQJIXYGGOSHMX-UHOSZYNNSA-N 1 0 360.889 2.483 20 30 FEEDRO N#Cc1ccccc1N1CCC(CNC(=O)N2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000377895391 558443289 /nfs/dbraw/zinc/44/32/89/558443289.db2.gz IXRBDZLTFSTPCQ-IBGZPJMESA-N 1 0 367.497 2.264 20 30 FEEDRO C#CCOc1ccccc1C[NH+]1C[C@H]2CN(Cc3noc(CC)n3)C[C@@H]2C1 ZINC000378349353 558535699 /nfs/dbraw/zinc/53/56/99/558535699.db2.gz JOHWRTAUXMHTCF-ROUUACIJSA-N 1 0 366.465 2.208 20 30 FEEDRO CC(=O)NCCCCCC(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000378478687 558566546 /nfs/dbraw/zinc/56/65/46/558566546.db2.gz UHYDOBKJPYONET-UHFFFAOYSA-N 1 0 370.497 2.357 20 30 FEEDRO N#Cc1ccc(OC[C@H](O)C[NH2+][C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000381898408 558604148 /nfs/dbraw/zinc/60/41/48/558604148.db2.gz RASPJMNJDPTVGY-WOJBJXKFSA-N 1 0 351.450 2.162 20 30 FEEDRO CCc1nc(C#N)cc(N2CCO[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000404181507 558631563 /nfs/dbraw/zinc/63/15/63/558631563.db2.gz JKULFTSNIDOYRU-RBUKOAKNSA-N 1 0 363.465 2.390 20 30 FEEDRO CCN(CCC#N)S(=O)(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000409492491 558697349 /nfs/dbraw/zinc/69/73/49/558697349.db2.gz WFHJBMFQCDCGHC-KRWDZBQOSA-N 1 0 370.563 2.443 20 30 FEEDRO CCN(C[C@H](C)C#N)S(=O)(=O)NCc1cccc(C[NH+](CC)CC)c1 ZINC000409585176 558705482 /nfs/dbraw/zinc/70/54/82/558705482.db2.gz CUSNAVFIPZHROM-MRXNPFEDSA-N 1 0 366.531 2.344 20 30 FEEDRO CCN(CCC#N)S(=O)(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000409591887 558706300 /nfs/dbraw/zinc/70/63/00/558706300.db2.gz AGEBZUWNVJPQET-GOSISDBHSA-N 1 0 364.515 2.202 20 30 FEEDRO CCN(CCC#N)S(=O)(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000409595604 558706844 /nfs/dbraw/zinc/70/68/44/558706844.db2.gz QUPKGEVOHIJDHP-HNNXBMFYSA-N 1 0 370.544 2.030 20 30 FEEDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H](C)n1cnc(C#N)n1 ZINC000409757164 558718593 /nfs/dbraw/zinc/71/85/93/558718593.db2.gz DQFZWLDGAMBVIS-WMZOPIPTSA-N 1 0 366.469 2.081 20 30 FEEDRO CCN(C(=O)[C@H](C)n1cnc(C#N)n1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000409841668 558722276 /nfs/dbraw/zinc/72/22/76/558722276.db2.gz XGQYPUOUWUMMJB-XYJFISCASA-N 1 0 366.469 2.395 20 30 FEEDRO CC[N@H+](CCC1CCN(C(=O)[C@@H](C)n2cnc(C#N)n2)CC1)CC(C)C ZINC000409893224 558725391 /nfs/dbraw/zinc/72/53/91/558725391.db2.gz XRSAVAQVUPZBPW-MRXNPFEDSA-N 1 0 360.506 2.317 20 30 FEEDRO C=CCN1CC[C@H]([N@H+](C)C[C@@H](O)COc2ccc(C(F)(F)F)cc2)C1=O ZINC000410394524 558754829 /nfs/dbraw/zinc/75/48/29/558754829.db2.gz YZJQMGBRSQWZRL-ZBFHGGJFSA-N 1 0 372.387 2.164 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H]([C@@H](C)CC)C(F)(F)F)CC1 ZINC000411229116 558856688 /nfs/dbraw/zinc/85/66/88/558856688.db2.gz PVLQWBBSWSPHKV-GXTWGEPZSA-N 1 0 363.424 2.236 20 30 FEEDRO N#Cc1cccc(NC(=O)CC[NH2+][C@@]2(CO)CCOc3ccccc32)c1 ZINC000411672795 558940807 /nfs/dbraw/zinc/94/08/07/558940807.db2.gz JSLHAFCKAVHUKQ-HXUWFJFHSA-N 1 0 351.406 2.147 20 30 FEEDRO C[NH+](C)CCN(Cc1ccsc1)C(=O)C(=O)Nc1ccc(F)cc1C#N ZINC000411700406 558946827 /nfs/dbraw/zinc/94/68/27/558946827.db2.gz YGORKFBKPOGAQR-UHFFFAOYSA-N 1 0 374.441 2.288 20 30 FEEDRO C[C@@H]1C[C@@H](NC(=O)NC2CCC(Oc3ncccc3C#N)CC2)CC[N@@H+]1C ZINC000525852783 562257392 /nfs/dbraw/zinc/25/73/92/562257392.db2.gz CJQMHLVUVFWMDQ-YKWDICOMSA-N 1 0 371.485 2.425 20 30 FEEDRO N#Cc1cccnc1OC1CCC([NH2+][C@H](C(N)=O)c2ccccc2)CC1 ZINC000525871943 562258000 /nfs/dbraw/zinc/25/80/00/562258000.db2.gz RABXNLRUJLAMCH-ABHNRTSZSA-N 1 0 350.422 2.459 20 30 FEEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CC[C@H](C(=O)N(C)C)C2)c1 ZINC000411954837 558994308 /nfs/dbraw/zinc/99/43/08/558994308.db2.gz PUDHAKBAAOASFL-MSOLQXFVSA-N 1 0 370.497 2.349 20 30 FEEDRO C[C@@H]1CN(CC(=O)NCc2cccc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000411990433 558999749 /nfs/dbraw/zinc/99/97/49/558999749.db2.gz ZFDOBXDSWOUWJG-GOSISDBHSA-N 1 0 362.477 2.381 20 30 FEEDRO N#Cc1ccc(OC[C@@H](O)C[NH2+]C2(CO)C3CC4CC(C3)CC2C4)cc1 ZINC000412010734 559002115 /nfs/dbraw/zinc/00/21/15/559002115.db2.gz JBFHUXBKORPRBB-WLGSGIEKSA-N 1 0 356.466 2.075 20 30 FEEDRO C=CCN(C)C(=O)C(=O)Nc1cccc(NC(=O)CC[NH+]2CCCCC2)c1 ZINC000526104878 562267061 /nfs/dbraw/zinc/26/70/61/562267061.db2.gz VSXIMEQGOCDGQI-UHFFFAOYSA-N 1 0 372.469 2.084 20 30 FEEDRO COC(=O)[C@@H]1CN(C(=O)N[C@@H](CCCC#N)c2ccccc2)CC[N@H+](C)C1 ZINC000413588365 559118832 /nfs/dbraw/zinc/11/88/32/559118832.db2.gz XSFBUFSUBVSDAR-ROUUACIJSA-N 1 0 372.469 2.168 20 30 FEEDRO C=C(CC)CNC(=O)NCc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000413613650 559120411 /nfs/dbraw/zinc/12/04/11/559120411.db2.gz ZBJFTRRZSSFEIS-UHFFFAOYSA-N 1 0 358.486 2.149 20 30 FEEDRO CC[NH+]1CCN(CC(C)(C)NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)CC1 ZINC000413846947 559134446 /nfs/dbraw/zinc/13/44/46/559134446.db2.gz SMZWFSVZXDDZRK-RBUKOAKNSA-N 1 0 354.498 2.194 20 30 FEEDRO C[C@H]([NH2+]CC(C)(C)CC#N)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000414169775 559151183 /nfs/dbraw/zinc/15/11/83/559151183.db2.gz SAKWOWWCVXKMDP-HNNXBMFYSA-N 1 0 365.499 2.298 20 30 FEEDRO CNC(=O)NC1CC[NH+](Cc2cn(CCC#N)nc2-c2ccccc2)CC1 ZINC000414545525 559170819 /nfs/dbraw/zinc/17/08/19/559170819.db2.gz RLJLGZHKOWMVGR-UHFFFAOYSA-N 1 0 366.469 2.357 20 30 FEEDRO N#Cc1cccc(COc2cccc(C[N@@H+]3CC[C@@H](O)[C@@H](CO)C3)c2)c1 ZINC000414556057 559171365 /nfs/dbraw/zinc/17/13/65/559171365.db2.gz JEEHUHOXRHIIMR-TZIWHRDSSA-N 1 0 352.434 2.312 20 30 FEEDRO N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000414900728 559193973 /nfs/dbraw/zinc/19/39/73/559193973.db2.gz IPAZIISKHPIPTO-OALUTQOASA-N 1 0 362.433 2.382 20 30 FEEDRO N#Cc1ccccc1Oc1ccc(NC(=O)C(=O)NC2CC[NH2+]CC2)cc1 ZINC000415271308 559220051 /nfs/dbraw/zinc/22/00/51/559220051.db2.gz PUWDLGXLGFJCBE-UHFFFAOYSA-N 1 0 364.405 2.157 20 30 FEEDRO N#Cc1cc(NC(=O)C(=O)N2CCC[C@@H]([NH3+])C2)ccc1Oc1ccccc1 ZINC000415275104 559220287 /nfs/dbraw/zinc/22/02/87/559220287.db2.gz YCFFVUGCBKNKCA-OAHLLOKOSA-N 1 0 364.405 2.239 20 30 FEEDRO N#Cc1ccccc1Oc1ccc(NC(=O)C(=O)N2CCC[C@@H]([NH3+])C2)cc1 ZINC000415277705 559220514 /nfs/dbraw/zinc/22/05/14/559220514.db2.gz YSKBHAMFUFNQGS-OAHLLOKOSA-N 1 0 364.405 2.239 20 30 FEEDRO C[NH2+][C@H]1CCN(C(=O)C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)C1 ZINC000415293033 559221650 /nfs/dbraw/zinc/22/16/50/559221650.db2.gz CLIMNNIIDVWBER-INIZCTEOSA-N 1 0 364.405 2.109 20 30 FEEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)NCC1([NH3+])CCCCC1 ZINC000415293361 559221680 /nfs/dbraw/zinc/22/16/80/559221680.db2.gz NLNCRFBGFBFITC-UHFFFAOYSA-N 1 0 358.442 2.062 20 30 FEEDRO C[C@@H]1C[NH2+]CCN1C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000415339169 559225357 /nfs/dbraw/zinc/22/53/57/559225357.db2.gz BGFKPAIWARSLDJ-CQSZACIVSA-N 1 0 364.405 2.109 20 30 FEEDRO N#Cc1ccc(Oc2cccc(NC(=O)C(=O)N3CC[C@@H](C[NH3+])C3)c2)cc1 ZINC000415367503 559228101 /nfs/dbraw/zinc/22/81/01/559228101.db2.gz YMLQSHPFWKFDOF-HNNXBMFYSA-N 1 0 364.405 2.096 20 30 FEEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)NC(C)(C)C[NH3+] ZINC000415379375 559229181 /nfs/dbraw/zinc/22/91/81/559229181.db2.gz JNOKSAHRZUFQGH-UHFFFAOYSA-N 1 0 366.421 2.451 20 30 FEEDRO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000415428046 559235390 /nfs/dbraw/zinc/23/53/90/559235390.db2.gz NZVSUZFCHTXEID-ZIAGYGMSSA-N 1 0 362.499 2.366 20 30 FEEDRO N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)NC2CCC([NH3+])CC2)n1 ZINC000415456513 559239089 /nfs/dbraw/zinc/23/90/89/559239089.db2.gz KPUNHMZGCYUNID-UHFFFAOYSA-N 1 0 358.833 2.789 20 30 FEEDRO N#Cc1ccc(-n2ccc(NC(=O)NC[C@@H]3CCC[C@H]([NH3+])C3)n2)c(Cl)c1 ZINC000415460526 559239432 /nfs/dbraw/zinc/23/94/32/559239432.db2.gz NKADONHNOFMNCW-KGLIPLIRSA-N 1 0 372.860 3.036 20 30 FEEDRO CCCC[C@@H](C[NH3+])NC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 ZINC000415467997 559240336 /nfs/dbraw/zinc/24/03/36/559240336.db2.gz VWBKTBADKDVYIJ-AWEZNQCLSA-N 1 0 360.849 3.036 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H]2CCCN(C3CCCCC3)C2=O)CC1 ZINC000527197974 562279899 /nfs/dbraw/zinc/27/98/99/562279899.db2.gz NRSAAYYUKWLPSS-GOSISDBHSA-N 1 0 362.518 2.260 20 30 FEEDRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000415492916 559242971 /nfs/dbraw/zinc/24/29/71/559242971.db2.gz LRNAECZLXFMZPF-ZIAGYGMSSA-N 1 0 360.483 2.087 20 30 FEEDRO N#Cc1ccc(NC(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)c(Cl)c1 ZINC000415518636 559245914 /nfs/dbraw/zinc/24/59/14/559245914.db2.gz MPNWSRCKGJRSFE-HNNXBMFYSA-N 1 0 360.845 2.141 20 30 FEEDRO N#Cc1cccc(Oc2ccc(NC(=O)C(=O)NC[C@@H]([NH3+])C3CC3)cc2)c1 ZINC000415529391 559246893 /nfs/dbraw/zinc/24/68/93/559246893.db2.gz ARSJWYLORPKVQO-GOSISDBHSA-N 1 0 364.405 2.143 20 30 FEEDRO C[C@@]1(CNC(=O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CCC[NH2+]C1 ZINC000415562960 559249933 /nfs/dbraw/zinc/24/99/33/559249933.db2.gz ANHKDDKXICKBDR-MRXNPFEDSA-N 1 0 368.359 2.021 20 30 FEEDRO CC(C)(C)c1cc(C#N)c(NC(=O)C(=O)NCC2(C)CC[NH2+]CC2)s1 ZINC000415570508 559250856 /nfs/dbraw/zinc/25/08/56/559250856.db2.gz LVJGGNNTDZJTDS-UHFFFAOYSA-N 1 0 362.499 2.362 20 30 FEEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N1C[C@H](C)[NH2+]C[C@H]1C ZINC000415572960 559251202 /nfs/dbraw/zinc/25/12/02/559251202.db2.gz VAMNYVMQSVBARA-HZSPNIEDSA-N 1 0 360.483 2.086 20 30 FEEDRO C=C(C)COc1cccc(NC(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000415577657 559251868 /nfs/dbraw/zinc/25/18/68/559251868.db2.gz HSCLISPVKLXUMH-JCGIZDLHSA-N 1 0 357.454 2.166 20 30 FEEDRO O=C(Nc1cccc(C#Cc2ccccc2)c1)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000415591790 559253494 /nfs/dbraw/zinc/25/34/94/559253494.db2.gz IAAZGSSOZCSAHC-QHCPKHFHSA-N 1 0 373.456 2.237 20 30 FEEDRO C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)NCCC[C@@H]2CCC[NH2+]2)cc1 ZINC000415597670 559254096 /nfs/dbraw/zinc/25/40/96/559254096.db2.gz JNJPEVFIGUFWDN-KGLIPLIRSA-N 1 0 364.471 2.026 20 30 FEEDRO C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)NCCC[C@H]2CCC[NH2+]2)cc1 ZINC000415597675 559254098 /nfs/dbraw/zinc/25/40/98/559254098.db2.gz JNJPEVFIGUFWDN-ZIAGYGMSSA-N 1 0 364.471 2.026 20 30 FEEDRO C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)NCC2([NH3+])CCCCC2)cc1 ZINC000415605267 559254644 /nfs/dbraw/zinc/25/46/44/559254644.db2.gz WXJSJJMURATBNM-CYBMUJFWSA-N 1 0 364.471 2.155 20 30 FEEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000415612102 559255088 /nfs/dbraw/zinc/25/50/88/559255088.db2.gz ZILZDQHBSCIMEQ-KUHUBIRLSA-N 1 0 372.494 2.231 20 30 FEEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000415616228 559255422 /nfs/dbraw/zinc/25/54/22/559255422.db2.gz DELLVOBLLDEBCW-GZBFAFLISA-N 1 0 360.483 2.134 20 30 FEEDRO CC1(C)CCC[NH2+][C@@H]1CNC(=O)C(=O)Nc1ccc(CC#N)cc1Cl ZINC000415677975 559261031 /nfs/dbraw/zinc/26/10/31/559261031.db2.gz PQDCDXKZBNRQAC-OAHLLOKOSA-N 1 0 362.861 2.239 20 30 FEEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000415684611 559261558 /nfs/dbraw/zinc/26/15/58/559261558.db2.gz XSSKAMHSNANVFO-GJZGRUSLSA-N 1 0 374.510 2.464 20 30 FEEDRO N#Cc1ccc(N2CCC[C@@H](NC(=O)NCC[N@H+]3CC=CCC3)C2)c(F)c1 ZINC000527231312 562281305 /nfs/dbraw/zinc/28/13/05/562281305.db2.gz RPCOEVKNTMHJLL-QGZVFWFLSA-N 1 0 371.460 2.227 20 30 FEEDRO CC(C)(C#N)c1ccc(NC(=O)C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)cc1 ZINC000415719641 559264988 /nfs/dbraw/zinc/26/49/88/559264988.db2.gz CUCOVOGTPAQJKN-SHTZXODSSA-N 1 0 356.470 2.308 20 30 FEEDRO COc1cc(NC(=O)c2ccc(C#N)c(C)n2)ccc1OCC[NH+](C)C ZINC000416341067 559306598 /nfs/dbraw/zinc/30/65/98/559306598.db2.gz MAGUWKJWJNSYDG-UHFFFAOYSA-N 1 0 354.410 2.463 20 30 FEEDRO Cc1nc2cc(CNS(=O)(=O)c3cccnc3C#N)ccc2n1C1CC1 ZINC000416479310 559316363 /nfs/dbraw/zinc/31/63/63/559316363.db2.gz ILERXKXOGCCQKH-UHFFFAOYSA-N 1 0 367.434 2.425 20 30 FEEDRO CCn1cccc(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1=O ZINC000417217231 559353455 /nfs/dbraw/zinc/35/34/55/559353455.db2.gz DCMCDTDGSZABDW-UHFFFAOYSA-N 1 0 367.453 2.336 20 30 FEEDRO C[C@@H]1CCN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)[C@H](C[NH3+])C1 ZINC000417568285 559367180 /nfs/dbraw/zinc/36/71/80/559367180.db2.gz BEYOZQBODYLAGK-OIISXLGYSA-N 1 0 373.476 2.435 20 30 FEEDRO CCC([NH3+])(CC)CNC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000417579875 559367508 /nfs/dbraw/zinc/36/75/08/559367508.db2.gz QDJYRBLOKBAKLK-OAHLLOKOSA-N 1 0 361.465 2.483 20 30 FEEDRO CCc1ccccc1[C@@H]([NH3+])CNC(=O)NCCOc1ccc(C#N)cc1 ZINC000417772457 559375941 /nfs/dbraw/zinc/37/59/41/559375941.db2.gz YQDAMYTZIXWSPX-IBGZPJMESA-N 1 0 352.438 2.499 20 30 FEEDRO C=CCCC[C@H](C)NC(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000417982083 559384900 /nfs/dbraw/zinc/38/49/00/559384900.db2.gz MXHXEZRVBRLPHY-ULQDDVLXSA-N 1 0 350.507 2.021 20 30 FEEDRO C=CCN(CCOC)C(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000418575659 559406844 /nfs/dbraw/zinc/40/68/44/559406844.db2.gz WVWKUPJZTJLPCK-YOEHRIQHSA-N 1 0 353.413 2.254 20 30 FEEDRO COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000418662962 559410363 /nfs/dbraw/zinc/41/03/63/559410363.db2.gz VTQLQYGPVZFIRN-RBUKOAKNSA-N 1 0 356.470 2.104 20 30 FEEDRO CC[NH2+]CCNC(=O)C(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000419200906 559432377 /nfs/dbraw/zinc/43/23/77/559432377.db2.gz FUJXZYPPXBFZOF-HNNXBMFYSA-N 1 0 364.449 2.128 20 30 FEEDRO C[C@H](C[NH3+])CNC(=O)C(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000419203970 559432511 /nfs/dbraw/zinc/43/25/11/559432511.db2.gz HKVJBDPMRACSAN-CABCVRRESA-N 1 0 364.449 2.113 20 30 FEEDRO C=CCC[C@@H](NC(=O)C(=O)N[C@@H]1CC[NH2+]C1)c1ccc(C(F)(F)F)cc1 ZINC000419474910 559444266 /nfs/dbraw/zinc/44/42/66/559444266.db2.gz NNFPMBPKXGQCPI-HUUCEWRRSA-N 1 0 369.387 2.307 20 30 FEEDRO C[C@@H]1CN(C(=O)N[C@@H]2CCCc3cc(C#N)ccc32)[C@@H](C)C[N@@H+]1CCO ZINC000419622012 559450318 /nfs/dbraw/zinc/45/03/18/559450318.db2.gz SHLQKVKJMMVUMN-ZRGWGRIASA-N 1 0 356.470 2.032 20 30 FEEDRO C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@@H]2CCCc3cc(C#N)ccc32)[C@@H](C)C1 ZINC000419627143 559450446 /nfs/dbraw/zinc/45/04/46/559450446.db2.gz XUBUNYMGHJUHRY-YZVOILCLSA-N 1 0 356.470 2.032 20 30 FEEDRO C=CCC[C@H]1NC(=O)N(Cc2ccc(CN3CC[NH+](CC)CC3)cc2)C1=O ZINC000419924050 559464791 /nfs/dbraw/zinc/46/47/91/559464791.db2.gz MNALXYZWCGVDBZ-LJQANCHMSA-N 1 0 370.497 2.211 20 30 FEEDRO C=CCOC[C@@H]1NC(=O)N(C[C@@H](c2ccc(SC)cc2)[NH+](C)C)C1=O ZINC000419966485 559466774 /nfs/dbraw/zinc/46/67/74/559466774.db2.gz LJPGRCVZYMFOII-HOTGVXAUSA-N 1 0 363.483 2.134 20 30 FEEDRO CC1(C#N)CCN(C(=O)C(=O)N[C@@H](C[NH3+])c2ccc3ccccc3c2)CC1 ZINC000420067495 559470879 /nfs/dbraw/zinc/47/08/79/559470879.db2.gz YHJKEEYKUVZOAC-SFHVURJKSA-N 1 0 364.449 2.108 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000420095306 559472390 /nfs/dbraw/zinc/47/23/90/559472390.db2.gz FQVTUMXMZIZYIG-UHFFFAOYSA-N 1 0 355.463 2.182 20 30 FEEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000420109610 559473221 /nfs/dbraw/zinc/47/32/21/559473221.db2.gz YSNXDZSPCLZKQW-WCQYABFASA-N 1 0 355.891 2.030 20 30 FEEDRO CCC(CC)(C[NH3+])NS(=O)(=O)c1cccc(Br)c1C#N ZINC000420411849 559486452 /nfs/dbraw/zinc/48/64/52/559486452.db2.gz CLRFKJFTHVFWGZ-UHFFFAOYSA-N 1 0 360.277 2.117 20 30 FEEDRO COc1cc(C#N)ccc1S(=O)(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000420465801 559488854 /nfs/dbraw/zinc/48/88/54/559488854.db2.gz QKXATEIBMXWUGR-INIZCTEOSA-N 1 0 359.451 2.325 20 30 FEEDRO CN(C[C@@H]1CCC[N@@H+]1C)S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000420739208 559501517 /nfs/dbraw/zinc/50/15/17/559501517.db2.gz PGWKAVNMWQVVRA-LBPRGKRZSA-N 1 0 361.389 2.292 20 30 FEEDRO CC(C)(CC#N)CNC(=O)C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000420849468 559507637 /nfs/dbraw/zinc/50/76/37/559507637.db2.gz NUWICKDOFPVOGC-CQSZACIVSA-N 1 0 362.499 2.057 20 30 FEEDRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)NCc2ccc(C#N)s2)C1 ZINC000420881431 559509117 /nfs/dbraw/zinc/50/91/17/559509117.db2.gz FMZUOZBFBBSHJS-CQSZACIVSA-N 1 0 350.488 2.262 20 30 FEEDRO CC1(C)C[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@@H](CO)O1 ZINC000420945453 559513273 /nfs/dbraw/zinc/51/32/73/559513273.db2.gz SVGZTIZDQKEBIP-AWEZNQCLSA-N 1 0 351.834 2.012 20 30 FEEDRO CC[NH+](CC)Cc1ccccc1CNC(=O)C(=O)NCC(C)(C)CC#N ZINC000421031561 559520650 /nfs/dbraw/zinc/52/06/50/559520650.db2.gz CWRZKLURVBRGKZ-UHFFFAOYSA-N 1 0 358.486 2.201 20 30 FEEDRO COC1([C@H](C)[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCOCC1 ZINC000421037610 559521313 /nfs/dbraw/zinc/52/13/13/559521313.db2.gz SAYONSFACRYDNT-MAUKXSAKSA-N 1 0 357.454 2.227 20 30 FEEDRO CN1CCN(C(=O)c2ccc(C[NH2+]Cc3ccc(C#N)c(F)c3)cc2)CC1 ZINC000421334601 559539497 /nfs/dbraw/zinc/53/94/97/559539497.db2.gz QIXAFMPNCBRFNS-UHFFFAOYSA-N 1 0 366.440 2.375 20 30 FEEDRO Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)NC3CCC([NH+](C)C)CC3)C2)n1 ZINC000421680895 559549159 /nfs/dbraw/zinc/54/91/59/559549159.db2.gz UXXUVDGEFNIGSG-LMDPOFIKSA-N 1 0 369.513 2.467 20 30 FEEDRO C[C@@H]1C[C@H](NC(=O)C(=O)NCC(C)(C)CC#N)CC[N@@H+]1Cc1ccccc1 ZINC000422307702 559577342 /nfs/dbraw/zinc/57/73/42/559577342.db2.gz OMHFXMXLRJNVJM-SJLPKXTDSA-N 1 0 370.497 2.212 20 30 FEEDRO C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000422487200 559591266 /nfs/dbraw/zinc/59/12/66/559591266.db2.gz HXGPLODEAUKWEL-RBUKOAKNSA-N 1 0 357.498 2.138 20 30 FEEDRO CCC(CC)[C@H](CNC(=O)C(=O)NCC(C)(C)CC#N)[NH+]1CCCC1 ZINC000422486731 559591301 /nfs/dbraw/zinc/59/13/01/559591301.db2.gz HVCUOGZARGGCQQ-INIZCTEOSA-N 1 0 350.507 2.059 20 30 FEEDRO C[C@H](C(=O)NC1(C#N)CCC1)N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000527299130 562284232 /nfs/dbraw/zinc/28/42/32/562284232.db2.gz XUKGIYLPPYGEHG-CHWSQXEVSA-N 1 0 369.391 2.490 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)C(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000423020144 559615150 /nfs/dbraw/zinc/61/51/50/559615150.db2.gz YXOQRXRZYUBHGV-HZPDHXFCSA-N 1 0 361.511 2.111 20 30 FEEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000423024851 559615535 /nfs/dbraw/zinc/61/55/35/559615535.db2.gz MWGMHEUJTBOVPC-BETUJISGSA-N 1 0 367.902 2.269 20 30 FEEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000423023081 559615539 /nfs/dbraw/zinc/61/55/39/559615539.db2.gz IWNJMDRTCMLATE-SJKOYZFVSA-N 1 0 369.918 2.359 20 30 FEEDRO C=CCN(Cc1ccccc1)C(=O)C(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000423130781 559620255 /nfs/dbraw/zinc/62/02/55/559620255.db2.gz YZXHPWJGQVPJIH-OALUTQOASA-N 1 0 355.482 2.049 20 30 FEEDRO C=CCN(CC1CCCCC1)C(=O)C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000423306020 559625006 /nfs/dbraw/zinc/62/50/06/559625006.db2.gz DESXRBWTRPXVAT-IBGZPJMESA-N 1 0 361.530 2.429 20 30 FEEDRO C=C(C)CN(Cc1ccccc1)C(=O)C(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000423367993 559626922 /nfs/dbraw/zinc/62/69/22/559626922.db2.gz MTSOGGUCWZSZRP-UXHICEINSA-N 1 0 369.509 2.439 20 30 FEEDRO N#CCCC[C@@H]([NH3+])C(=O)N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000424116633 559655297 /nfs/dbraw/zinc/65/52/97/559655297.db2.gz XNRATGOABXOHBM-HUUCEWRRSA-N 1 0 366.259 2.370 20 30 FEEDRO C=CCn1c(N2CC[NH+](C(C)(C)COC)CC2)nnc1[C@]1(C)CCCO1 ZINC000424121489 559655445 /nfs/dbraw/zinc/65/54/45/559655445.db2.gz GDAORMSVAJWPNT-IBGZPJMESA-N 1 0 363.506 2.037 20 30 FEEDRO CCCCS(=O)(=O)Nc1ccc(NC(=O)[C@@H]([NH3+])CCCC#N)cc1 ZINC000424129550 559655664 /nfs/dbraw/zinc/65/56/64/559655664.db2.gz SDSPQQBCXODLAR-HNNXBMFYSA-N 1 0 352.460 2.188 20 30 FEEDRO N#CCCC[C@@H]([NH3+])C(=O)N1CCC[C@@H](NC(=O)c2cc3ccccc3o2)C1 ZINC000424141388 559655976 /nfs/dbraw/zinc/65/59/76/559655976.db2.gz UCQLFNKHSKJXHA-HZPDHXFCSA-N 1 0 368.437 2.175 20 30 FEEDRO C=CCCn1cc(C(=O)N(Cc2ccccn2)[C@H]2CCC[NH2+]CC2)nn1 ZINC000424157684 559656450 /nfs/dbraw/zinc/65/64/50/559656450.db2.gz NQGDIHYOLHQSGK-KRWDZBQOSA-N 1 0 354.458 2.034 20 30 FEEDRO CCOC(=O)c1csc([C@H]2CCCN2C(=O)[C@H]([NH3+])CCCC#N)n1 ZINC000424186913 559657123 /nfs/dbraw/zinc/65/71/23/559657123.db2.gz JEWQEONMXBXIML-DGCLKSJQSA-N 1 0 350.444 2.004 20 30 FEEDRO CCOC(=O)c1csc([C@@H]2CCCN2C(=O)[C@H]([NH3+])CCCC#N)n1 ZINC000424186917 559657128 /nfs/dbraw/zinc/65/71/28/559657128.db2.gz JEWQEONMXBXIML-YPMHNXCESA-N 1 0 350.444 2.004 20 30 FEEDRO Cc1cc(C[NH3+])cc(NC(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)c1 ZINC000424423566 559664032 /nfs/dbraw/zinc/66/40/32/559664032.db2.gz GOTIZFGXOMGKST-QGZVFWFLSA-N 1 0 351.410 2.406 20 30 FEEDRO C=CCn1cc(CNC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)nn1 ZINC000424909496 559679803 /nfs/dbraw/zinc/67/98/03/559679803.db2.gz UKPTZBFQHMZOAJ-UHFFFAOYSA-N 1 0 353.470 2.383 20 30 FEEDRO Cc1cc(N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)c(C#N)cn1 ZINC000425206031 559691170 /nfs/dbraw/zinc/69/11/70/559691170.db2.gz KKXUFMQYOIVZNQ-UHFFFAOYSA-N 1 0 355.486 2.080 20 30 FEEDRO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000425867452 559723285 /nfs/dbraw/zinc/72/32/85/559723285.db2.gz RVQUTRMTDYQPSX-INIZCTEOSA-N 1 0 370.497 2.458 20 30 FEEDRO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000425873455 559723552 /nfs/dbraw/zinc/72/35/52/559723552.db2.gz QAFBEVDIHUMNBH-HNNXBMFYSA-N 1 0 370.497 2.457 20 30 FEEDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N(C)[C@@H](C)c1cccc(C#N)c1 ZINC000425883604 559723843 /nfs/dbraw/zinc/72/38/43/559723843.db2.gz MRCMABLJPUQGRW-ZACQAIPSSA-N 1 0 370.497 2.314 20 30 FEEDRO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000425883005 559723879 /nfs/dbraw/zinc/72/38/79/559723879.db2.gz IYNANDKLEQCDPE-INIZCTEOSA-N 1 0 370.497 2.316 20 30 FEEDRO C[NH+](C)C[C@H](O)COc1ccc(NC(=O)c2cccc(F)c2C#N)cc1 ZINC000427149093 559749279 /nfs/dbraw/zinc/74/92/79/559749279.db2.gz CLHSBTUGSJWZGB-AWEZNQCLSA-N 1 0 357.385 2.251 20 30 FEEDRO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NS(=O)(=O)c1cccnc1C#N ZINC000428371294 559774030 /nfs/dbraw/zinc/77/40/30/559774030.db2.gz VOOWVJSBHLUPIZ-LSDHHAIUSA-N 1 0 350.488 2.132 20 30 FEEDRO N#Cc1cccc(NCC(=O)Nc2cccc(C[N@H+]3CC[C@@H](O)C3)c2)c1 ZINC000428542767 559777635 /nfs/dbraw/zinc/77/76/35/559777635.db2.gz VGUSHDXPYUFFRH-LJQANCHMSA-N 1 0 350.422 2.175 20 30 FEEDRO COC(=O)c1cccc(OCC[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)c1 ZINC000428783314 559783065 /nfs/dbraw/zinc/78/30/65/559783065.db2.gz MYVLWPYUBLJEIU-GOSISDBHSA-N 1 0 367.405 2.272 20 30 FEEDRO Cc1cccc2c1C[N@H+](CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1)CC2 ZINC000429561708 559801419 /nfs/dbraw/zinc/80/14/19/559801419.db2.gz SHJAZSLBVSZSDJ-FQEVSTJZSA-N 1 0 354.498 2.046 20 30 FEEDRO C[C@H]1CC[C@@H]([N@H+](CCO)CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1 ZINC000429773991 559805446 /nfs/dbraw/zinc/80/54/46/559805446.db2.gz SAFLQQHEOBJAPG-MAUKXSAKSA-N 1 0 367.453 2.165 20 30 FEEDRO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)c2ccc(C#N)o2)cc1 ZINC000431274976 559836777 /nfs/dbraw/zinc/83/67/77/559836777.db2.gz OPPOTLBAORUAIP-UHFFFAOYSA-N 1 0 354.410 2.475 20 30 FEEDRO C=CCc1ccccc1OC[C@@H](O)C[N@@H+](CCO)[C@H]1CCCSC1 ZINC000433191032 559872984 /nfs/dbraw/zinc/87/29/84/559872984.db2.gz TXUMTWXCETWQAQ-ROUUACIJSA-N 1 0 351.512 2.345 20 30 FEEDRO CCOCCC[N@@H+]1CC[C@H](NS(=O)(=O)c2ccc(C#N)s2)[C@@H](C)C1 ZINC000435436743 559923003 /nfs/dbraw/zinc/92/30/03/559923003.db2.gz GTLMDWDEFXBEOC-ZFWWWQNUSA-N 1 0 371.528 2.035 20 30 FEEDRO Cc1nc2ccccc2n1C[C@H]1CCC[N@@H+]1CC(=O)NC1(C#N)CCC1 ZINC000527378215 562287266 /nfs/dbraw/zinc/28/72/66/562287266.db2.gz KCTJPAMKYJZZTJ-MRXNPFEDSA-N 1 0 351.454 2.372 20 30 FEEDRO N#Cc1ccc(CS(=O)(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(F)c1 ZINC000440079099 560004354 /nfs/dbraw/zinc/00/43/54/560004354.db2.gz UDHZTAJUZUJZAB-GOSISDBHSA-N 1 0 373.453 2.391 20 30 FEEDRO N#Cc1ccc(CS(=O)(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)c(F)c1 ZINC000440079100 560004382 /nfs/dbraw/zinc/00/43/82/560004382.db2.gz UDHZTAJUZUJZAB-SFHVURJKSA-N 1 0 373.453 2.391 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)NCc2ccncc2OCC(F)F)CC1 ZINC000441004591 560021413 /nfs/dbraw/zinc/02/14/13/560021413.db2.gz AVVJGXWTZDLEFN-UHFFFAOYSA-N 1 0 354.401 2.175 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cccc(NC(=O)CCC)c2)CC1 ZINC000442268310 560047309 /nfs/dbraw/zinc/04/73/09/560047309.db2.gz DCWRREYBLPPQNP-UHFFFAOYSA-N 1 0 372.469 2.130 20 30 FEEDRO C[NH+]1CCN(CCCNC(=O)c2cn(CCCC#N)c3ccccc23)CC1 ZINC000443914266 560096125 /nfs/dbraw/zinc/09/61/25/560096125.db2.gz FBZTUTVDHCZCLR-UHFFFAOYSA-N 1 0 367.497 2.312 20 30 FEEDRO Cc1cc(S(=O)(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)ccc1C#N ZINC000443955749 560097301 /nfs/dbraw/zinc/09/73/01/560097301.db2.gz BTGWQBJSGNGWOI-SFHVURJKSA-N 1 0 357.479 2.318 20 30 FEEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)c3noc4c3COCC4)CC2)c1 ZINC000527612303 562297627 /nfs/dbraw/zinc/29/76/27/562297627.db2.gz LLZHKKVTOJYIIL-UHFFFAOYSA-N 1 0 366.421 2.013 20 30 FEEDRO C=CC[C@@H]1[N@@H+](CC(=O)Nc2ccc(S(N)(=O)=O)cc2)CCCC1(C)C ZINC000444784357 560120663 /nfs/dbraw/zinc/12/06/63/560120663.db2.gz NMWFLAAIKCGAFZ-INIZCTEOSA-N 1 0 365.499 2.339 20 30 FEEDRO N#Cc1cc(F)c(C(=O)NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c(F)c1 ZINC000446254750 560142825 /nfs/dbraw/zinc/14/28/25/560142825.db2.gz ZOXABUZGYBDHJG-FQEVSTJZSA-N 1 0 371.387 2.203 20 30 FEEDRO CC(C)[NH+](CCNC(=O)C1CCN(C(=O)[C@@]2(C#N)C[C@@H]2C)CC1)C(C)C ZINC000448805817 560200502 /nfs/dbraw/zinc/20/05/02/560200502.db2.gz PYZBBFHPYSZIKS-OXJNMPFZSA-N 1 0 362.518 2.010 20 30 FEEDRO C[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C1 ZINC000448883351 560204692 /nfs/dbraw/zinc/20/46/92/560204692.db2.gz QPQUJDGVJQFUKI-HOCLYGCPSA-N 1 0 374.872 2.117 20 30 FEEDRO CC1(C#N)CCC([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000449236225 560221204 /nfs/dbraw/zinc/22/12/04/560221204.db2.gz JLCRTSWKYPRZGB-UHFFFAOYSA-N 1 0 351.428 2.431 20 30 FEEDRO C[NH+](C)C[C@@H]1CCN(C(=O)COc2ccc(C#N)c(Br)c2)C1 ZINC000449893003 560244530 /nfs/dbraw/zinc/24/45/30/560244530.db2.gz SXTYUDYDCGITHQ-LBPRGKRZSA-N 1 0 366.259 2.110 20 30 FEEDRO C[C@@H]1C[C@H](NC(=O)COc2ccc(C#N)c(Br)c2)CC[N@@H+]1C ZINC000449943191 560246007 /nfs/dbraw/zinc/24/60/07/560246007.db2.gz YHBQHRIBCFXCRC-DGCLKSJQSA-N 1 0 366.259 2.298 20 30 FEEDRO CC[NH+](CC)CC(=O)N1CCN(c2nc3ccccc3c(C)c2C#N)CC1 ZINC000450315229 560258298 /nfs/dbraw/zinc/25/82/98/560258298.db2.gz OPIPTONUAHWRPG-UHFFFAOYSA-N 1 0 365.481 2.405 20 30 FEEDRO CO[C@H]1COCC[C@H]1CC(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000450673847 560269836 /nfs/dbraw/zinc/26/98/36/560269836.db2.gz QWIKFZMZYDSCIU-OALUTQOASA-N 1 0 371.481 2.103 20 30 FEEDRO CC[NH+](CC)CCOCCNC(=O)c1cccc(C#N)c1Br ZINC000450836835 560275177 /nfs/dbraw/zinc/27/51/77/560275177.db2.gz BMPIIMMNEFKIDY-UHFFFAOYSA-N 1 0 368.275 2.409 20 30 FEEDRO C[C@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1ccc(CC#N)cc1Cl ZINC000451190185 560292266 /nfs/dbraw/zinc/29/22/66/560292266.db2.gz KLXDBURKOZRBBQ-JSGCOSHPSA-N 1 0 353.875 2.263 20 30 FEEDRO COC(=O)[C@@H]1CCCCC[C@@H]1[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000451231893 560294670 /nfs/dbraw/zinc/29/46/70/560294670.db2.gz REJTYFVGPULUFG-SJORKVTESA-N 1 0 364.467 2.043 20 30 FEEDRO CC(=O)N1CCC[N@H+](C[C@@H]2CCCN(Cc3ccc(F)cc3C#N)C2)CC1 ZINC000451530162 560312359 /nfs/dbraw/zinc/31/23/59/560312359.db2.gz HMABASVGFRYASO-SFHVURJKSA-N 1 0 372.488 2.464 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]CC(=O)N1CCN(Cc2ccc(C(C)C)cc2)CC1 ZINC000451603433 560316897 /nfs/dbraw/zinc/31/68/97/560316897.db2.gz ZOCABCUXFZZZRN-RTWAWAEBSA-N 1 0 371.525 2.387 20 30 FEEDRO N#Cc1ccc(N2CCC[C@H]([NH2+][C@@H]([C@@H](CO)C3CC3)C3CC3)C2=O)cc1 ZINC000451614818 560317495 /nfs/dbraw/zinc/31/74/95/560317495.db2.gz PASRUDXRQUZNED-SLFFLAALSA-N 1 0 353.466 2.440 20 30 FEEDRO CN(CC(=O)N[C@](C)(C#N)C1CC1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000452107633 560351657 /nfs/dbraw/zinc/35/16/57/560351657.db2.gz BUSUUZFBEZCFGK-MRXNPFEDSA-N 1 0 360.424 2.143 20 30 FEEDRO C=C(C)Cn1c([C@H]2CCCCO2)nnc1N1CC[N@@H+](CCOC)[C@@H](C)C1 ZINC000453460966 560387205 /nfs/dbraw/zinc/38/72/05/560387205.db2.gz FHNYGIPSNKXJHY-DLBZAZTESA-N 1 0 363.506 2.253 20 30 FEEDRO CC[NH+](CC)CCN(CC(C)C)C(=O)C(=O)Nc1ccc(C#N)c(C)n1 ZINC000453579772 560389367 /nfs/dbraw/zinc/38/93/67/560389367.db2.gz WEAGHSXOXMBLNS-UHFFFAOYSA-N 1 0 359.474 2.027 20 30 FEEDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)Nc1cccc(CC#N)c1 ZINC000453613681 560391108 /nfs/dbraw/zinc/39/11/08/560391108.db2.gz NUJKAAMYSJLPHN-BZUAXINKSA-N 1 0 356.470 2.174 20 30 FEEDRO Cc1nc(NC(=O)C(=O)NCC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)ccc1C#N ZINC000453612166 560391195 /nfs/dbraw/zinc/39/11/95/560391195.db2.gz AFBQWIAQJMGCNU-ZIAGYGMSSA-N 1 0 371.485 2.073 20 30 FEEDRO Cc1cc(C#N)cc(NC(=O)C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)c1 ZINC000453653721 560393756 /nfs/dbraw/zinc/39/37/56/560393756.db2.gz HKHZAFLXZTVVRK-KRWDZBQOSA-N 1 0 354.454 2.186 20 30 FEEDRO Cc1nccn1CCCN(C)C(=O)C(=O)Nc1ccc(CC#N)cc1Cl ZINC000453666866 560394889 /nfs/dbraw/zinc/39/48/89/560394889.db2.gz HXZSGTJWBYJKOZ-UHFFFAOYSA-N 1 0 373.844 2.398 20 30 FEEDRO CN(C[C@@H]1CC[N@H+](C)C1)C(=O)C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 ZINC000453703503 560398093 /nfs/dbraw/zinc/39/80/93/560398093.db2.gz BTETVVHUAMYUDD-CQSZACIVSA-N 1 0 372.469 2.084 20 30 FEEDRO C[NH+](C)Cc1ccc(CNC(=O)C(=O)Nc2cccc(CC#N)c2)cc1F ZINC000453703671 560398168 /nfs/dbraw/zinc/39/81/68/560398168.db2.gz ZMXFLHUZVQOJMC-UHFFFAOYSA-N 1 0 368.412 2.208 20 30 FEEDRO C[NH+](C)[C@H]1CCCN(C(=O)C(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)C1 ZINC000453711248 560398718 /nfs/dbraw/zinc/39/87/18/560398718.db2.gz DMWJRTYONDJMFV-INIZCTEOSA-N 1 0 372.469 2.227 20 30 FEEDRO Cc1cc(C#N)cc(NC(=O)C(=O)Nc2ccc(OCC[NH+](C)C)cc2)c1 ZINC000453714146 560398993 /nfs/dbraw/zinc/39/89/93/560398993.db2.gz TUHODKBPMRBDJZ-UHFFFAOYSA-N 1 0 366.421 2.384 20 30 FEEDRO N#CCc1ccc(NC(=O)C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)c(Cl)c1 ZINC000453752029 560401657 /nfs/dbraw/zinc/40/16/57/560401657.db2.gz QGVDATNCLBAEGX-OAHLLOKOSA-N 1 0 374.872 2.478 20 30 FEEDRO C[C@@H](C#N)CN(C(=O)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)C1CC1 ZINC000453752842 560401700 /nfs/dbraw/zinc/40/17/00/560401700.db2.gz OJKGQKJAVCTBBP-UGSOOPFHSA-N 1 0 354.454 2.325 20 30 FEEDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)C(=O)Nc1ccc(CC#N)cc1Cl ZINC000453756004 560401878 /nfs/dbraw/zinc/40/18/78/560401878.db2.gz XTFXFGLOLPSFIO-DZGCQCFKSA-N 1 0 374.872 2.430 20 30 FEEDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)C(=O)Nc1ccc(CC#N)cc1Cl ZINC000453756145 560401954 /nfs/dbraw/zinc/40/19/54/560401954.db2.gz PUQWSYXWYMQFRH-CXAGYDPISA-N 1 0 374.872 2.430 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1NC(=O)C(=O)Nc1cccc2c1C[N@H+]([C@@H](C)C(C)C)C2 ZINC000453930446 560414192 /nfs/dbraw/zinc/41/41/92/560414192.db2.gz JSYMBJDYQHFJJP-KYNGSXCRSA-N 1 0 371.481 2.445 20 30 FEEDRO C=CCC[C@@H](CO)NC(=O)C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000454054042 560425403 /nfs/dbraw/zinc/42/54/03/560425403.db2.gz IZXGSOJGLDCTGN-IBGZPJMESA-N 1 0 373.497 2.300 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1NC(=O)NCCc1ccc(OCC[NH+](C)C)cc1 ZINC000454449634 560444864 /nfs/dbraw/zinc/44/48/64/560444864.db2.gz YCIHFGPTMPBVBX-MOPGFXCFSA-N 1 0 361.486 2.202 20 30 FEEDRO CC[C@@H]1C[N@H+](CC)CCN1C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 ZINC000455104707 560470317 /nfs/dbraw/zinc/47/03/17/560470317.db2.gz PXVUBVZHFFQCFM-OAHLLOKOSA-N 1 0 370.432 2.831 20 30 FEEDRO CC(C)OCC[NH+]1CCC(NC(=O)NCc2ccc(C#N)c(F)c2)CC1 ZINC000455552131 560486831 /nfs/dbraw/zinc/48/68/31/560486831.db2.gz YGSUTNIAERMTNU-UHFFFAOYSA-N 1 0 362.449 2.386 20 30 FEEDRO C=CCN1C(=O)c2ccc(C(=O)NCCCC[N@@H+](C)C3CC3)cc2C1=O ZINC000457189530 560555161 /nfs/dbraw/zinc/55/51/61/560555161.db2.gz UANGSWRYOUWYQL-UHFFFAOYSA-N 1 0 355.438 2.073 20 30 FEEDRO C=CCC[C@@H](CO)NC(=O)NC[C@@H](c1ccccc1OC)[NH+]1CCCC1 ZINC000457489243 560570325 /nfs/dbraw/zinc/57/03/25/560570325.db2.gz SNKLGKMCKKBJGA-WMZOPIPTSA-N 1 0 361.486 2.458 20 30 FEEDRO C=CCC[C@@H](CO)NC(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000458389381 560619637 /nfs/dbraw/zinc/61/96/37/560619637.db2.gz QAEPKXXJIRCRGW-INIZCTEOSA-N 1 0 355.548 2.364 20 30 FEEDRO CN(CCN1CC[NH+](Cc2ccccc2)CC1)C(=O)NCC(C)(C)CC#N ZINC000459239371 560675706 /nfs/dbraw/zinc/67/57/06/560675706.db2.gz OUEPDEMFAFVFRZ-UHFFFAOYSA-N 1 0 371.529 2.385 20 30 FEEDRO COc1ccnc(N2CCN(Cc3c(C#N)cccc3[N+](=O)[O-])CC2)c1 ZINC000459337839 560680690 /nfs/dbraw/zinc/68/06/90/560680690.db2.gz LJMPDCVONIQBTC-UHFFFAOYSA-N 1 0 353.382 2.192 20 30 FEEDRO CCNC(=O)C(C)(C)[NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000459566669 560694463 /nfs/dbraw/zinc/69/44/63/560694463.db2.gz WRVULLHKCKPMIL-UHFFFAOYSA-N 1 0 362.499 2.331 20 30 FEEDRO C=CCN(CCc1ccccc1)C(=O)C(=O)N1CC[C@@H]([NH+](CC)CC)C1 ZINC000460074222 560733484 /nfs/dbraw/zinc/73/34/84/560733484.db2.gz ZASJFCJNIOZUAL-LJQANCHMSA-N 1 0 357.498 2.186 20 30 FEEDRO C=C(C)Cn1c([C@@H]2COCCO2)nnc1N(C)C1CC[NH+](CCC)CC1 ZINC000460554391 560746088 /nfs/dbraw/zinc/74/60/88/560746088.db2.gz RMVBWUBQZPNCBX-KRWDZBQOSA-N 1 0 363.506 2.253 20 30 FEEDRO N#Cc1cc(S(=O)(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)ccc1C(F)(F)F ZINC000461906280 560787459 /nfs/dbraw/zinc/78/74/59/560787459.db2.gz YEQHEARLPWUCDB-DZGCQCFKSA-N 1 0 373.400 2.243 20 30 FEEDRO N#C[C@@H]1CCC[C@H]1NC(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000461957861 560789702 /nfs/dbraw/zinc/78/97/02/560789702.db2.gz LLCJFWBOONDNTH-VQTJNVASSA-N 1 0 369.513 2.186 20 30 FEEDRO C[C@@H](CNC(=O)N1CC(Oc2ccc(C#N)cc2)C1)[N@@H+]1CCC[C@H](C)C1 ZINC000462128995 560798285 /nfs/dbraw/zinc/79/82/85/560798285.db2.gz OTQJGUCLYYIDAF-HOTGVXAUSA-N 1 0 356.470 2.451 20 30 FEEDRO COc1cc(C#N)ccc1S(=O)(=O)NC[C@@H]1CCCC[N@@H+]1CC(C)C ZINC000464209440 560836200 /nfs/dbraw/zinc/83/62/00/560836200.db2.gz VZHJLOIXKSJKEL-INIZCTEOSA-N 1 0 365.499 2.356 20 30 FEEDRO C[NH+](C)CCc1ccc(CNS(=O)(=O)c2ccc(F)c(C#N)c2)cc1 ZINC000466736917 560894025 /nfs/dbraw/zinc/89/40/25/560894025.db2.gz ZEBKOJBKYNUPDM-UHFFFAOYSA-N 1 0 361.442 2.280 20 30 FEEDRO C=CCN1C(=O)c2ccc(C(=O)NC[C@@H]3[N@H+](C)CCCC3(C)C)cc2C1=O ZINC000468472323 560930830 /nfs/dbraw/zinc/93/08/30/560930830.db2.gz JSNMFKAJHRHVEN-KRWDZBQOSA-N 1 0 369.465 2.319 20 30 FEEDRO COc1cc([C@H](C)[NH2+][C@H](C)C(=O)NC2(C#N)CCC2)cc(OC)c1OC ZINC000469303626 560952098 /nfs/dbraw/zinc/95/20/98/560952098.db2.gz HISIQUQFMRULBT-QWHCGFSZSA-N 1 0 361.442 2.314 20 30 FEEDRO COC(=O)[C@@H]1CC[N@H+]([C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)[C@@H]1C ZINC000469998125 560971510 /nfs/dbraw/zinc/97/15/10/560971510.db2.gz BSDUPSJCILYUHS-JKIFEVAISA-N 1 0 361.417 2.344 20 30 FEEDRO CCN(C[C@H]1CC[N@H+](CC(=O)N(CC)C[C@@H](C)C#N)C1)CC(F)(F)F ZINC000470367731 560979708 /nfs/dbraw/zinc/97/97/08/560979708.db2.gz SGQSDCYZBVCPDX-LSDHHAIUSA-N 1 0 362.440 2.201 20 30 FEEDRO CN(CCC#N)C(=O)CC[NH+]1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC000471006087 560996194 /nfs/dbraw/zinc/99/61/94/560996194.db2.gz MNSUCPWCVDYLMG-GOSISDBHSA-N 1 0 373.888 2.284 20 30 FEEDRO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCc3nn[nH]c3C1)CCCC2 ZINC000472748941 561034383 /nfs/dbraw/zinc/03/43/83/561034383.db2.gz IXMMNUVMQWNDBV-UHFFFAOYSA-N 1 0 356.455 2.004 20 30 FEEDRO COc1ccc(C#N)cc1NC(=O)C(=O)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000473224215 561044939 /nfs/dbraw/zinc/04/49/39/561044939.db2.gz DQAQGNFMFISVNH-UHFFFAOYSA-N 1 0 372.469 2.086 20 30 FEEDRO CN(CC(=O)NCc1cccc(C#N)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000474210687 561068413 /nfs/dbraw/zinc/06/84/13/561068413.db2.gz KOASWBYTZQFUHA-OAQYLSRUSA-N 1 0 362.477 2.381 20 30 FEEDRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)c2cnn(C)c2C#N)C1 ZINC000474912878 561085325 /nfs/dbraw/zinc/08/53/25/561085325.db2.gz SGWHBSSFLDAOMR-OAHLLOKOSA-N 1 0 351.454 2.454 20 30 FEEDRO C[NH+](C)CCN(Cc1ccccn1)S(=O)(=O)CC1(C#N)CCCCC1 ZINC000475775157 561104899 /nfs/dbraw/zinc/10/48/99/561104899.db2.gz ADABBACPBLSXRA-UHFFFAOYSA-N 1 0 364.515 2.249 20 30 FEEDRO CCN1CC[NH+](C[C@H](C)CNC(=O)C[C@H](CC#N)c2ccccc2)CC1 ZINC000476041407 561110068 /nfs/dbraw/zinc/11/00/68/561110068.db2.gz MXFXHBRXLAEYIT-QUCCMNQESA-N 1 0 356.514 2.464 20 30 FEEDRO CC(C)OCCN1CCC([NH2+][C@H](C)C(=O)NC2(C#N)CCCCC2)CC1 ZINC000476826017 561129328 /nfs/dbraw/zinc/12/93/28/561129328.db2.gz YSXHFDJOZSBIQQ-QGZVFWFLSA-N 1 0 364.534 2.197 20 30 FEEDRO C=CCn1c(CC(F)(F)F)nnc1N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000528298593 562321648 /nfs/dbraw/zinc/32/16/48/562321648.db2.gz GHVJUDCVAJPOJN-UHFFFAOYSA-N 1 0 373.423 2.260 20 30 FEEDRO CC(C)[C@@H](C)NC(=O)C1CC[NH+](C[C@H](O)COc2ccccc2C#N)CC1 ZINC000528368837 562325260 /nfs/dbraw/zinc/32/52/60/562325260.db2.gz WODFLQCGJJVQFU-APWZRJJASA-N 1 0 373.497 2.171 20 30 FEEDRO CC(C)C[C@H]1OCCC[C@H]1[NH2+]CC#CCN1C(=O)c2ccccc2C1=O ZINC000528459067 562330557 /nfs/dbraw/zinc/33/05/57/562330557.db2.gz RZIDUOAKYGPLGT-RTBURBONSA-N 1 0 354.450 2.469 20 30 FEEDRO O=C1c2ccccc2C(=O)N1CC#CC[NH+]1CCC2(CCOCC2)CC1 ZINC000528498777 562332527 /nfs/dbraw/zinc/33/25/27/562332527.db2.gz YWNDAJNPSSAJGB-UHFFFAOYSA-N 1 0 352.434 2.179 20 30 FEEDRO CC1(C)CN(CC#CCN2C(=O)c3ccccc3C2=O)[C@H]1[C@@H]1CCCO1 ZINC000528504122 562332837 /nfs/dbraw/zinc/33/28/37/562332837.db2.gz MQZIDTXJLWPXOS-ROUUACIJSA-N 1 0 352.434 2.175 20 30 FEEDRO CCO[C@@H]1C[C@@H]([NH2+]CC#CCN2C(=O)c3ccccc3C2=O)C12CCC2 ZINC000528520956 562333780 /nfs/dbraw/zinc/33/37/80/562333780.db2.gz OVWYKLMLDJQLJC-QZTJIDSGSA-N 1 0 352.434 2.223 20 30 FEEDRO CCO[C@H]1C[C@H]([NH2+]CC#CCN2C(=O)c3ccccc3C2=O)C12CCC2 ZINC000528520961 562333874 /nfs/dbraw/zinc/33/38/74/562333874.db2.gz OVWYKLMLDJQLJC-ROUUACIJSA-N 1 0 352.434 2.223 20 30 FEEDRO O=C1c2ccccc2C(=O)N1CC#CC[N@@H+]1C[C@@H](O)C[C@H]1c1ccccc1 ZINC000528525154 562333943 /nfs/dbraw/zinc/33/39/43/562333943.db2.gz MIGYJAWLYANDEA-PXNSSMCTSA-N 1 0 360.413 2.094 20 30 FEEDRO Cn1cc(C[C@@H]2CCC[C@H]2[NH2+]C[C@H](O)COc2ccccc2C#N)cn1 ZINC000528558744 562336351 /nfs/dbraw/zinc/33/63/51/562336351.db2.gz ZLHKORZZBRDATL-YTQUADARSA-N 1 0 354.454 2.032 20 30 FEEDRO N#Cc1ccc(C2([NH2+][C@@H]3CCN(CC(F)(F)F)C3=O)CCOCC2)cc1 ZINC000528780075 562347250 /nfs/dbraw/zinc/34/72/50/562347250.db2.gz ATROYMPXGFTLRV-OAHLLOKOSA-N 1 0 367.371 2.317 20 30 FEEDRO COc1ccc(C#N)cc1NC(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000528951580 562354103 /nfs/dbraw/zinc/35/41/03/562354103.db2.gz MSZJLJWPLFIDJI-UHFFFAOYSA-N 1 0 358.442 2.285 20 30 FEEDRO N#CCc1ccc(CNC(=O)N2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000529344547 562370241 /nfs/dbraw/zinc/37/02/41/562370241.db2.gz RMYBFHUXMYUJEW-LJQANCHMSA-N 1 0 356.470 2.053 20 30 FEEDRO N#Cc1ccc(CC(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)cn1 ZINC000529409821 562372835 /nfs/dbraw/zinc/37/28/35/562372835.db2.gz UTJWSHAAMHGAAS-UXHICEINSA-N 1 0 360.461 2.476 20 30 FEEDRO N#Cc1ccccc1OC[C@@H](O)C[NH2+][C@@H]1CCN(c2ncccc2Cl)C1 ZINC000530230927 562403163 /nfs/dbraw/zinc/40/31/63/562403163.db2.gz DSAFUTNPMIGZGX-CVEARBPZSA-N 1 0 372.856 2.215 20 30 FEEDRO N#Cc1csc(C[NH2+]C[C@H](O)COc2ccc3c(c2)CCC(=O)N3)c1 ZINC000531117498 562435212 /nfs/dbraw/zinc/43/52/12/562435212.db2.gz VPGODOURGZTNLR-AWEZNQCLSA-N 1 0 357.435 2.034 20 30 FEEDRO CC(C)(O)C[N@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)C1CCOCC1 ZINC000531415940 562445100 /nfs/dbraw/zinc/44/51/00/562445100.db2.gz IZKFSMSPEDUKJH-UHFFFAOYSA-N 1 0 356.426 2.360 20 30 FEEDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CCN(c2ccc(C#N)cc2F)CC1 ZINC000532067624 562465809 /nfs/dbraw/zinc/46/58/09/562465809.db2.gz QMKBURSUUXXMNR-KDOFPFPSSA-N 1 0 371.460 2.012 20 30 FEEDRO C[C@H]([NH2+]Cc1cnn([C@@]2(C)CCS(=O)(=O)C2)c1)c1ccc(C#N)cc1 ZINC000532870223 562491234 /nfs/dbraw/zinc/49/12/34/562491234.db2.gz XYIWRWNEVOLYSC-KSSFIOAISA-N 1 0 358.467 2.139 20 30 FEEDRO N#Cc1ccc(C[NH2+]Cc2ccc(C(=O)N3CCOCC3)cc2)c(F)c1 ZINC000532990364 562494870 /nfs/dbraw/zinc/49/48/70/562494870.db2.gz UAORBBDIILSWAV-UHFFFAOYSA-N 1 0 353.397 2.460 20 30 FEEDRO O=C(C[NH+]1CCC(CCO)CC1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000533282265 562503640 /nfs/dbraw/zinc/50/36/40/562503640.db2.gz FREZXMXPASADCU-UHFFFAOYSA-N 1 0 368.399 2.268 20 30 FEEDRO N#Cc1ccc(C[NH2+]C[C@@H](O)COc2ccc3c(c2)CCC(=O)N3)c(F)c1 ZINC000533311865 562504872 /nfs/dbraw/zinc/50/48/72/562504872.db2.gz QGVBADVDNIZUSE-MRXNPFEDSA-N 1 0 369.396 2.112 20 30 FEEDRO COC(=O)c1cccc(CN2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c1C#N ZINC000533762848 562517735 /nfs/dbraw/zinc/51/77/35/562517735.db2.gz ZWXIWCAJDSAGPG-ZYSHUDEJSA-N 1 0 357.454 2.028 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)c1C#N ZINC000534062828 562524512 /nfs/dbraw/zinc/52/45/12/562524512.db2.gz JUUZDLUKCWRPIQ-UHFFFAOYSA-N 1 0 367.369 2.075 20 30 FEEDRO CCOc1ccc(N(CCC#N)C(=O)C[N@H+](C)C[C@@H]2CCC[C@H]2O)cc1 ZINC000535118596 562551482 /nfs/dbraw/zinc/55/14/82/562551482.db2.gz UYPCCNSSXKUPQE-QFBILLFUSA-N 1 0 359.470 2.425 20 30 FEEDRO C=C[C@H](CC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1)c1ccccc1 ZINC000535389145 562557513 /nfs/dbraw/zinc/55/75/13/562557513.db2.gz KMKFERCWFJLHTR-QGZVFWFLSA-N 1 0 357.498 2.405 20 30 FEEDRO N#Cc1cccc(-c2nnc(C[N@H+]3CCCC[C@H]3[C@@H]3CNC(=O)C3)o2)c1 ZINC000535727756 562565563 /nfs/dbraw/zinc/56/55/63/562565563.db2.gz MXIQIPWRMLIFMP-HOTGVXAUSA-N 1 0 351.410 2.099 20 30 FEEDRO COc1cc(C[N@H+](C)CCC(=O)N(C)CCC#N)ccc1OC(F)F ZINC000536587365 562579823 /nfs/dbraw/zinc/57/98/23/562579823.db2.gz ZAIPRSUULLOQIU-UHFFFAOYSA-N 1 0 355.385 2.491 20 30 FEEDRO Cn1cc([C@H]([NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)C(C)(C)C)cn1 ZINC000537174968 562587136 /nfs/dbraw/zinc/58/71/36/562587136.db2.gz KSYSXOKBVRBUIC-KRWDZBQOSA-N 1 0 360.483 2.442 20 30 FEEDRO C[C@H](C(=O)NC(=O)Nc1ccc2c(c1)OCCO2)[NH+]1CCC(CC#N)CC1 ZINC000541023191 562600615 /nfs/dbraw/zinc/60/06/15/562600615.db2.gz BWGLIJCCRUZAEJ-CYBMUJFWSA-N 1 0 372.425 2.120 20 30 FEEDRO CN1CCC(CNC(=O)N2CCC(CC#N)CC2)([NH+]2CCCCC2)CC1 ZINC000541038021 562600978 /nfs/dbraw/zinc/60/09/78/562600978.db2.gz XLGJDNYNUUBSAI-UHFFFAOYSA-N 1 0 361.534 2.272 20 30 FEEDRO C[NH+](C)CCOCCNC(=O)c1cccc(COc2ccc(C#N)cc2)c1 ZINC000541528086 562614407 /nfs/dbraw/zinc/61/44/07/562614407.db2.gz MQKBFFASDKDNMM-UHFFFAOYSA-N 1 0 367.449 2.445 20 30 FEEDRO CN(CCC#N)C[C@H](O)C[NH2+][C@H]1CCCCCN(Cc2ccccc2)C1 ZINC000601970133 567890400 /nfs/dbraw/zinc/89/04/00/567890400.db2.gz YJAZOXBBRFSJLG-LEWJYISDSA-N 1 0 358.530 2.227 20 30 FEEDRO CN(C(=O)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1)[C@@H]1CCC[C@@H]1C#N ZINC000602075733 567917128 /nfs/dbraw/zinc/91/71/28/567917128.db2.gz LOIIBWGLOTWHQQ-IEBWSBKVSA-N 1 0 368.481 2.414 20 30 FEEDRO CN(C(=O)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1)[C@@H]1CCC[C@@H]1C#N ZINC000602065214 567923717 /nfs/dbraw/zinc/92/37/17/567923717.db2.gz CFFXGTPECIJSGG-IEBWSBKVSA-N 1 0 368.481 2.414 20 30 FEEDRO C[NH+](C)CCn1c2cc(C(=O)N(CCC#N)CC3CC3)ccc2[nH]c1=O ZINC000602090439 567931959 /nfs/dbraw/zinc/93/19/59/567931959.db2.gz AZOJTNXFXLGYRG-UHFFFAOYSA-N 1 0 355.442 2.069 20 30 FEEDRO N#CCC1(CNC(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@@]23CCOC3)CC1 ZINC000602149911 567937391 /nfs/dbraw/zinc/93/73/91/567937391.db2.gz XWFYSQZVIBHKOL-WIYYLYMNSA-N 1 0 353.466 2.335 20 30 FEEDRO CC1([NH+]2CCCC2)CCN(C(=O)C(=O)NCC2(C#N)CCCCC2)CC1 ZINC000602292809 567964120 /nfs/dbraw/zinc/96/41/20/567964120.db2.gz OCBMPERYDKBPMF-UHFFFAOYSA-N 1 0 360.502 2.054 20 30 FEEDRO CCOC(=O)c1ccc(N2CC([NH2+][C@H](C)CC3(C#N)CCOCC3)C2)nc1 ZINC000602608326 567997333 /nfs/dbraw/zinc/99/73/33/567997333.db2.gz MEUQTOVEYPGRIZ-OAHLLOKOSA-N 1 0 372.469 2.135 20 30 FEEDRO COc1ccc([C@@H](CNC(=O)CN[C@H](C)CC#N)[NH+]2CCCCC2)cc1 ZINC000602864630 568007999 /nfs/dbraw/zinc/00/79/99/568007999.db2.gz TVRDVJFVZFNBAR-VQIMIIECSA-N 1 0 358.486 2.230 20 30 FEEDRO COc1ccc(C[N@H+](CC(=O)NC2(C#N)CCC2)[C@H](C)CCCO)cc1 ZINC000602966659 568024848 /nfs/dbraw/zinc/02/48/48/568024848.db2.gz NBZLQYVACMDQHL-MRXNPFEDSA-N 1 0 359.470 2.221 20 30 FEEDRO CCN(Cc1ccc2c(c1)OCCO2)C(=O)CN(C)[C@@H]1CCC[C@H]1C#N ZINC000602975363 568035867 /nfs/dbraw/zinc/03/58/67/568035867.db2.gz ABAXIMIMIRKMSP-DLBZAZTESA-N 1 0 357.454 2.430 20 30 FEEDRO CC(C)NC(=O)NCc1ccc(C(=O)N(CCC#N)CCC[NH+](C)C)cc1 ZINC000604441830 568288747 /nfs/dbraw/zinc/28/87/47/568288747.db2.gz JQIHBMMFQNNYGB-UHFFFAOYSA-N 1 0 373.501 2.202 20 30 FEEDRO Cc1cc(C#N)cnc1-c1nc(-c2cc(N3CC[NH+](C)CC3)ccn2)no1 ZINC000569873179 568432275 /nfs/dbraw/zinc/43/22/75/568432275.db2.gz MMGVMMPSAUBCQW-UHFFFAOYSA-N 1 0 361.409 2.126 20 30 FEEDRO COc1ccc([C@@H](OC)[C@@H](C)[NH2+]Cc2cnc3c(C#N)cnn3c2)cc1 ZINC000569927964 568437701 /nfs/dbraw/zinc/43/77/01/568437701.db2.gz RZNSKVKJQQXPCE-ACJLOTCBSA-N 1 0 351.410 2.475 20 30 FEEDRO C[C@H]([NH2+][C@H]1CCN(c2ccc(C#N)cc2)C1=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000736129974 598959164 /nfs/dbraw/zinc/95/91/64/598959164.db2.gz FWHMOHJRMHIREF-UGSOOPFHSA-N 1 0 373.420 2.194 20 30 FEEDRO C[C@H]1CN(CCNc2c(C#N)cnc3c(F)c(F)c(F)cc32)CCO1 ZINC000557569658 674454374 /nfs/dbraw/zinc/45/43/74/674454374.db2.gz IQTGHLPFCVSJSO-JTQLQIEISA-N 1 0 350.344 2.078 20 30 FEEDRO C[C@@H]([NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1)C(=O)Nc1ccccc1C#N ZINC000820410051 599389426 /nfs/dbraw/zinc/38/94/26/599389426.db2.gz CLDXEOWUINGQKG-CHWSQXEVSA-N 1 0 361.409 2.416 20 30 FEEDRO CC[NH+](CC)CCS(=O)(=O)Oc1ccc(Br)cc1C#N ZINC000810057067 674527992 /nfs/dbraw/zinc/52/79/92/674527992.db2.gz SBLKRHKNKOQHMV-UHFFFAOYSA-N 1 0 361.261 2.371 20 30 FEEDRO N#Cc1ccc(C[NH2+][C@@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)cc1 ZINC000826385052 609413686 /nfs/dbraw/zinc/41/36/86/609413686.db2.gz VDYZXZLZICEXCA-GOSISDBHSA-N 1 0 373.420 2.024 20 30 FEEDRO Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)n1C[NH+]1CCC(C)(C#N)CC1 ZINC000826335036 609541682 /nfs/dbraw/zinc/54/16/82/609541682.db2.gz VEGAQAVCFGAPEB-UHFFFAOYSA-N 1 0 363.429 2.017 20 30 FEEDRO CC1(C#N)CN(CC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)C1 ZINC000560465779 674590333 /nfs/dbraw/zinc/59/03/33/674590333.db2.gz SXWJDGBXGGJFLN-QGZVFWFLSA-N 1 0 360.889 2.439 20 30 FEEDRO C[C@H]([NH2+][C@@H]1CCCN(S(=O)(=O)C2CC2)C1)c1ccc(C#N)cc1F ZINC000560572330 674600558 /nfs/dbraw/zinc/60/05/58/674600558.db2.gz RMUUOBXYWNECKT-GXTWGEPZSA-N 1 0 351.447 2.305 20 30 FEEDRO C[N@@H+]1CC[C@H](Cn2nnnc2Sc2ccc(C(F)(F)F)c(C#N)n2)C1 ZINC000562741074 674800183 /nfs/dbraw/zinc/80/01/83/674800183.db2.gz PEIBEDUMQLADAK-VIFPVBQESA-N 1 0 369.376 2.061 20 30 FEEDRO C#CC[N@H+](C)CCCNS(=O)(=O)c1cc2ccc(Cl)nc2cc1F ZINC000815082224 674914078 /nfs/dbraw/zinc/91/40/78/674914078.db2.gz GMSXRYKWBLRDSA-UHFFFAOYSA-N 1 0 369.849 2.261 20 30 FEEDRO CC(C)[C@@H]1C[C@@H](C[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)CCO1 ZINC000564076942 674970612 /nfs/dbraw/zinc/97/06/12/674970612.db2.gz UGAARLLSSHJZMC-WMZOPIPTSA-N 1 0 350.484 2.373 20 30 FEEDRO N#Cc1csc(CNc2ccccc2C[N@H+]2CCC[C@@H](C(N)=O)C2)n1 ZINC000564410727 675012005 /nfs/dbraw/zinc/01/20/05/675012005.db2.gz CKYSNFAKGQSUDV-CQSZACIVSA-N 1 0 355.467 2.324 20 30 FEEDRO N#Cc1csc(C[NH2+]C2CCN(CC(=O)Nc3ccccc3)CC2)n1 ZINC000564407878 675012018 /nfs/dbraw/zinc/01/20/18/675012018.db2.gz OZFGYYJJFWWUAH-UHFFFAOYSA-N 1 0 355.467 2.207 20 30 FEEDRO CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CCN1c1ncc(C#N)cc1Cl ZINC001048706216 675013439 /nfs/dbraw/zinc/01/34/39/675013439.db2.gz KLWYDYBXVHUVJX-JKSUJKDBSA-N 1 0 361.877 2.176 20 30 FEEDRO CC[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCN1c1snc(C)c1C#N ZINC001048731990 675013835 /nfs/dbraw/zinc/01/38/35/675013835.db2.gz RSWQNAJXTTUEQZ-JKSUJKDBSA-N 1 0 361.515 2.139 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3sc(C)nc3C)C[C@@H]2C1 ZINC001049069718 675022204 /nfs/dbraw/zinc/02/22/04/675022204.db2.gz NFWMCPUHCCBOJW-TWMKSMIVSA-N 1 0 361.511 2.241 20 30 FEEDRO N#Cc1c(Cl)cccc1S(=O)(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000564523042 675030918 /nfs/dbraw/zinc/03/09/18/675030918.db2.gz HLNMAYCAXQVJML-UHFFFAOYSA-N 1 0 353.875 2.364 20 30 FEEDRO C[NH+]1CCN(c2ccccc2NS(=O)(=O)c2cccc(C#N)c2)CC1 ZINC000010762223 669990606 /nfs/dbraw/zinc/99/06/06/669990606.db2.gz YPJMYSZESOHWAN-UHFFFAOYSA-N 1 0 356.451 2.111 20 30 FEEDRO CC(C)[NH+](CCCNCCS(=O)(=O)c1cccc(C#N)c1)C(C)C ZINC000564849202 675067967 /nfs/dbraw/zinc/06/79/67/675067967.db2.gz ROXAMFYQVFCYOR-UHFFFAOYSA-N 1 0 351.516 2.430 20 30 FEEDRO C[NH+]=C(NCc1cc(Br)cs1)N[C@H]1CCN(C2CC2)C1 ZINC000083167463 670655624 /nfs/dbraw/zinc/65/56/24/670655624.db2.gz PBRVWKKLOPMLJP-NSHDSACASA-N 1 0 357.321 2.412 20 30 FEEDRO CC[NH+]=C(NCc1nc(C(C)(C)C)cs1)N1CCN(C2CC2)C(=O)C1 ZINC000086559282 670684291 /nfs/dbraw/zinc/68/42/91/670684291.db2.gz CGULWDYLAFVZDA-UHFFFAOYSA-N 1 0 363.531 2.213 20 30 FEEDRO CC[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)N1CCC(C(=O)OCC)CC1 ZINC000089154606 670695005 /nfs/dbraw/zinc/69/50/05/670695005.db2.gz MPXLXYIVWQABAM-XHSDSOJGSA-N 1 0 351.491 2.041 20 30 FEEDRO Cc1cccc(OC[C@H](C)[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)c1 ZINC000570322210 670696271 /nfs/dbraw/zinc/69/62/71/670696271.db2.gz DPHQGSWVIQKUCH-HNNXBMFYSA-N 1 0 359.451 2.093 20 30 FEEDRO C=C(Br)CNC(=O)N[C@H]1CC[N@@H+](CCCOCC)C[C@H]1C ZINC000115811547 670899809 /nfs/dbraw/zinc/89/98/09/670899809.db2.gz GYMMZULVWUOCPZ-OCCSQVGLSA-N 1 0 362.312 2.331 20 30 FEEDRO CC[S@](=O)[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)C1 ZINC000571790318 670925703 /nfs/dbraw/zinc/92/57/03/670925703.db2.gz IZAVLVJDONNWJK-KIRVVWFBSA-N 1 0 364.511 2.162 20 30 FEEDRO C=CC[C@@H](CO)C[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000572879471 671055622 /nfs/dbraw/zinc/05/56/22/671055622.db2.gz IRCNENKONDXNJS-RISCZKNCSA-N 1 0 362.239 2.102 20 30 FEEDRO Cc1nc(SCC(=O)N[C@@H]2C[NH2+]CCC2(F)F)c(C#N)c(C)c1C ZINC000574287360 671222987 /nfs/dbraw/zinc/22/29/87/671222987.db2.gz DSGKGACVEZLVLX-CYBMUJFWSA-N 1 0 354.426 2.084 20 30 FEEDRO N#Cc1cncc(S(=O)(=O)NCC2([NH+]3CCCCC3)CCCCC2)c1 ZINC000576216339 671352221 /nfs/dbraw/zinc/35/22/21/671352221.db2.gz DHVCNSUSMIGZOX-UHFFFAOYSA-N 1 0 362.499 2.420 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+]CC2(c3cccc(F)c3)CC2)nc1 ZINC000579701613 671754296 /nfs/dbraw/zinc/75/42/96/671754296.db2.gz JFARQKPUYRIFIG-UHFFFAOYSA-N 1 0 359.426 2.187 20 30 FEEDRO CN(C(C)(C)C[NH+]1CCCCCC1)S(=O)(=O)c1cncc(C#N)c1 ZINC000580486092 671811657 /nfs/dbraw/zinc/81/16/57/671811657.db2.gz OHKOOFDISWDDAV-UHFFFAOYSA-N 1 0 350.488 2.228 20 30 FEEDRO N#Cc1ccsc1N1CC[C@@H](N2CC[C@@H](Oc3ccncc3)C2)C1=O ZINC000580700825 671825516 /nfs/dbraw/zinc/82/55/16/671825516.db2.gz YDYFUVUVUDCEQU-HZPDHXFCSA-N 1 0 354.435 2.273 20 30 FEEDRO Cc1nc(-c2ccc(C[NH2+]C[C@H](O)CN(C)CCC#N)s2)cs1 ZINC000581297551 671882330 /nfs/dbraw/zinc/88/23/30/671882330.db2.gz AQNAPJMCNNXVAV-ZDUSSCGKSA-N 1 0 350.513 2.476 20 30 FEEDRO C[C@@H](CCc1ccc(O)cc1)[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000581424419 671895289 /nfs/dbraw/zinc/89/52/89/671895289.db2.gz OJOOHHIVDKBWRZ-AWEZNQCLSA-N 1 0 359.451 2.043 20 30 FEEDRO C=C(C)CNC(=[NH2+])NCc1ccc(Br)cc1N1CCOCC1 ZINC000119556413 671902531 /nfs/dbraw/zinc/90/25/31/671902531.db2.gz CQYXPHJWULDCRI-UHFFFAOYSA-N 1 0 367.291 2.266 20 30 FEEDRO CN(C)c1ccc(C(N)=[NH+]OCC(=O)N2CCc3sccc3C2)cc1 ZINC000120367311 671924016 /nfs/dbraw/zinc/92/40/16/671924016.db2.gz NQOGARVOUQZFGZ-UHFFFAOYSA-N 1 0 358.467 2.036 20 30 FEEDRO CC[C@@H](CNS(=O)(=O)CC1(C#N)CCC1)[N@@H+]1CCc2ccccc2C1 ZINC000582454070 672002878 /nfs/dbraw/zinc/00/28/78/672002878.db2.gz LQQKPGPJFNBGCS-SFHVURJKSA-N 1 0 361.511 2.437 20 30 FEEDRO N#CCCC[C@@H]([NH3+])C(=O)N[C@H]1CCN(c2ccccc2Br)C1 ZINC000582961736 672049914 /nfs/dbraw/zinc/04/99/14/672049914.db2.gz BDZGPTPWPMBBSA-GXTWGEPZSA-N 1 0 365.275 2.165 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1NC(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000583126956 672065632 /nfs/dbraw/zinc/06/56/32/672065632.db2.gz DRBPYKYJIKFFFO-CVEARBPZSA-N 1 0 353.532 2.381 20 30 FEEDRO CC#CCN(C)CC(=O)N1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000584127141 672158345 /nfs/dbraw/zinc/15/83/45/672158345.db2.gz NLVAZGJQKMNQCU-UHFFFAOYSA-N 1 0 351.853 2.078 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CSc3ccccc32)CC1 ZINC000584130939 672158615 /nfs/dbraw/zinc/15/86/15/672158615.db2.gz XPBHECZSDDEMJZ-INIZCTEOSA-N 1 0 359.495 2.106 20 30 FEEDRO C#CCOc1ccc(Br)cc1C[NH2+]CCCN1CCOC1=O ZINC000170874368 672326638 /nfs/dbraw/zinc/32/66/38/672326638.db2.gz ZTALDUKSGKGFEP-UHFFFAOYSA-N 1 0 367.243 2.393 20 30 FEEDRO CC1(C)COCCN1CCNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1 ZINC000170914937 672327096 /nfs/dbraw/zinc/32/70/96/672327096.db2.gz KZJNXLHBRIEAEL-UHFFFAOYSA-N 1 0 360.380 2.423 20 30 FEEDRO CCCCn1c([C@@H](CC)[NH+](C)C)nn(CN2CCOC[C@@H]2C#N)c1=S ZINC000172946017 672346821 /nfs/dbraw/zinc/34/68/21/672346821.db2.gz RKYMFQVWAIDOFI-LSDHHAIUSA-N 1 0 366.535 2.409 20 30 FEEDRO C[C@@](O)(CNC(=[NH2+])NCc1ccc(OC(F)(F)F)cc1)c1ccco1 ZINC000178584170 672392804 /nfs/dbraw/zinc/39/28/04/672392804.db2.gz BQNAOGYYXLSVQA-OAHLLOKOSA-N 1 0 357.332 2.490 20 30 FEEDRO CC[NH+](CC)CC#C[C@@H](C)OC(=O)c1cnc2sc(C)c(C)n2c1=O ZINC000181192041 672423131 /nfs/dbraw/zinc/42/31/31/672423131.db2.gz UTVUPSXFABLDLJ-GFCCVEGCSA-N 1 0 361.467 2.263 20 30 FEEDRO C=CCCOCCCCC(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000678840920 672447529 /nfs/dbraw/zinc/44/75/29/672447529.db2.gz KNKAYUMKNUHTAN-IBGZPJMESA-N 1 0 351.535 2.376 20 30 FEEDRO N#Cc1cc(Br)ccc1CN1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000588200420 672456939 /nfs/dbraw/zinc/45/69/39/672456939.db2.gz RTKQRNGGKFZNIP-DLBZAZTESA-N 1 0 364.287 2.352 20 30 FEEDRO N#CCc1ccc(OC[C@H](O)C[N@@H+]2CC[C@@H](n3cc(Cl)cn3)C2)cc1 ZINC000589309741 672521396 /nfs/dbraw/zinc/52/13/96/672521396.db2.gz FQAVLTFGLLFRPS-IAGOWNOFSA-N 1 0 360.845 2.289 20 30 FEEDRO C=CCNC(=O)NC(=O)C[NH2+][C@@H](C)c1ccc(F)c(Br)c1 ZINC000590193840 672564674 /nfs/dbraw/zinc/56/46/74/672564674.db2.gz UYKOADNXYNKBKX-VIFPVBQESA-N 1 0 358.211 2.251 20 30 FEEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000591292270 672666652 /nfs/dbraw/zinc/66/66/52/672666652.db2.gz DQZKSQBESZXWPS-KBPBESRZSA-N 1 0 360.483 2.135 20 30 FEEDRO CC[C@H]1CN(C(=O)C(=O)Nc2ccccc2SCCC#N)CC[C@H]1[NH3+] ZINC000591304007 672667476 /nfs/dbraw/zinc/66/74/76/672667476.db2.gz JQWSYSFRINEAGE-UONOGXRCSA-N 1 0 360.483 2.217 20 30 FEEDRO N#CCN1CCC([NH2+]C[C@@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000591736073 672706608 /nfs/dbraw/zinc/70/66/08/672706608.db2.gz IDSQBABBRYNYDM-CQSZACIVSA-N 1 0 358.269 2.311 20 30 FEEDRO C[C@@H]1CCCC[N@@H+]1CC(N)=NOCC(=O)N1CCC[C@@H]2CCCC[C@H]21 ZINC000245471478 672819260 /nfs/dbraw/zinc/81/92/60/672819260.db2.gz OAYZCUVZKQHLSG-IXDOHACOSA-N 1 0 350.507 2.331 20 30 FEEDRO C[C@@H]1C[N@@H+](C)C[C@H](C)N1C(=O)Cc1ccc(Br)cc1C#N ZINC000593109124 672877523 /nfs/dbraw/zinc/87/75/23/672877523.db2.gz IGIOPJITKVRVML-TXEJJXNPSA-N 1 0 350.260 2.414 20 30 FEEDRO C[N@@H+]1CCN(C(=O)Cc2ccc(Br)cc2C#N)C(C)(C)C1 ZINC000593112779 672878153 /nfs/dbraw/zinc/87/81/53/672878153.db2.gz UZTUTYQINIJOOG-UHFFFAOYSA-N 1 0 350.260 2.416 20 30 FEEDRO C[NH+]=C(NCc1ccnc(-n2cccn2)c1)N1CCS[C@@H](C(C)C)C1 ZINC000261660438 672900771 /nfs/dbraw/zinc/90/07/71/672900771.db2.gz AYKHPNKSWNWJFF-MRXNPFEDSA-N 1 0 358.515 2.416 20 30 FEEDRO C[NH+]=C(NCCc1nc(C)c(C)s1)NC[C@]1(O)CCc2ccccc21 ZINC000261664384 672900895 /nfs/dbraw/zinc/90/08/95/672900895.db2.gz BHJBHNFNUKIGAP-LJQANCHMSA-N 1 0 358.511 2.301 20 30 FEEDRO CCNC(=O)C(C)(C)CNC(=[NH+]CC)N1CCC[C@]2(CCCOC2)C1 ZINC000261707262 672901661 /nfs/dbraw/zinc/90/16/61/672901661.db2.gz DJJPOUIHRLXKAI-IBGZPJMESA-N 1 0 352.523 2.007 20 30 FEEDRO CC[NH+]=C(NC[C@]1(N2CCOCC2)CCSC1)N1CC[C@@](C)(CC)C1 ZINC000261712683 672902058 /nfs/dbraw/zinc/90/20/58/672902058.db2.gz HJMXSIXELSZOIN-RTBURBONSA-N 1 0 368.591 2.282 20 30 FEEDRO CC[NH+]=C(NCCOc1ncccc1Cl)N1CC[C@]2(CCOC2)C1 ZINC000261958191 672906111 /nfs/dbraw/zinc/90/61/11/672906111.db2.gz JJAQZNRKKPDFFJ-KRWDZBQOSA-N 1 0 352.866 2.192 20 30 FEEDRO CC[NH+]=C(NCCc1ccccc1C)N1CCS(=O)(=O)C(C)(C)C1 ZINC000262005427 672907549 /nfs/dbraw/zinc/90/75/49/672907549.db2.gz VNYALGLIAFNFKY-UHFFFAOYSA-N 1 0 351.516 2.012 20 30 FEEDRO C[NH+]=C(NCc1cc(F)cc(Br)c1)N1CCO[C@@H](COC)C1 ZINC000262026733 672907917 /nfs/dbraw/zinc/90/79/17/672907917.db2.gz WRXJORBTFBYIOL-CQSZACIVSA-N 1 0 374.254 2.011 20 30 FEEDRO C[NH+]=C(NCCc1ccccn1)N[C@@H]1CCN(c2ncccc2Cl)C1 ZINC000262014448 672907921 /nfs/dbraw/zinc/90/79/21/672907921.db2.gz XKKKSBUIXARPJR-OAHLLOKOSA-N 1 0 358.877 2.116 20 30 FEEDRO C[NH+]=C(NCCOc1ncccc1F)N1CCC[C@@]2(CCCOC2)C1 ZINC000262059907 672908354 /nfs/dbraw/zinc/90/83/54/672908354.db2.gz VVRSLVJGTSRPSK-GOSISDBHSA-N 1 0 350.438 2.068 20 30 FEEDRO Cc1cc(CNC(=[NH2+])NC[C@@H]2CCCO2)ccc1I ZINC000262155529 672909826 /nfs/dbraw/zinc/90/98/26/672909826.db2.gz NNLHMBKDSGGPBA-LBPRGKRZSA-N 1 0 373.238 2.183 20 30 FEEDRO CC(C)C1CCC([NH+]=C(NCC(=O)N(C)C)NC2CCOCC2)CC1 ZINC000262271740 672912238 /nfs/dbraw/zinc/91/22/38/672912238.db2.gz GZNKYBJAADPKFV-UHFFFAOYSA-N 1 0 352.523 2.004 20 30 FEEDRO C[NH+]=C(NCC(=O)N(C)C)N1CC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000262338129 672913453 /nfs/dbraw/zinc/91/34/53/672913453.db2.gz WOKPYGRYGLCIBT-ZDUSSCGKSA-N 1 0 356.392 2.158 20 30 FEEDRO C[NH+]=C(NCc1nccn1C)N(C)Cc1ccccc1Br ZINC000262586449 672917985 /nfs/dbraw/zinc/91/79/85/672917985.db2.gz SQFZKIRLTASTGD-UHFFFAOYSA-N 1 0 350.264 2.390 20 30 FEEDRO CC(C)Oc1ccc(NC(=[NH2+])NC[C@H]2CCCCN2S(C)(=O)=O)cc1 ZINC000262641067 672918634 /nfs/dbraw/zinc/91/86/34/672918634.db2.gz HWCUMYOQDGYCHE-OAHLLOKOSA-N 1 0 368.503 2.015 20 30 FEEDRO C=CCOCC[NH2+][C@@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000684556726 672941255 /nfs/dbraw/zinc/94/12/55/672941255.db2.gz DYPQKHJMBFLSLT-VIFPVBQESA-N 1 0 353.271 2.494 20 30 FEEDRO N#CCCSc1ccccc1NC(=O)C(=O)NCCC1CC[NH2+]CC1 ZINC000593775628 672989940 /nfs/dbraw/zinc/98/99/40/672989940.db2.gz HIUDUFPBGXKKMT-UHFFFAOYSA-N 1 0 360.483 2.137 20 30 FEEDRO [NH2+]=C(NCCCNC(=O)c1ccc(Br)cc1)NCC1CCC1 ZINC000303982508 673019688 /nfs/dbraw/zinc/01/96/88/673019688.db2.gz QEGXYBNLNFJVAX-UHFFFAOYSA-N 1 0 367.291 2.273 20 30 FEEDRO C[C@@](O)(CNC(=[NH2+])N1CCN(c2ccc(F)cc2)CC1)c1cccs1 ZINC000304797224 673020703 /nfs/dbraw/zinc/02/07/03/673020703.db2.gz NDMXFBSCWIEVMT-GOSISDBHSA-N 1 0 362.474 2.232 20 30 FEEDRO CCC(CC)(CCO)CNC(=[NH2+])N1CCN(c2ccc(F)cc2)CC1 ZINC000304809977 673020849 /nfs/dbraw/zinc/02/08/49/673020849.db2.gz WAIBSTQCTOBGGO-UHFFFAOYSA-N 1 0 350.482 2.451 20 30 FEEDRO C[C@@](O)(CNC(=[NH2+])N1CCN(c2ccc(F)cc2)CC1)c1ccsc1 ZINC000304812440 673021471 /nfs/dbraw/zinc/02/14/71/673021471.db2.gz YBGRSMIXUNEFCC-GOSISDBHSA-N 1 0 362.474 2.232 20 30 FEEDRO COC(=O)c1ccc(CNC(=[NH2+])NCCc2cccs2)nc1C1CC1 ZINC000305876659 673022031 /nfs/dbraw/zinc/02/20/31/673022031.db2.gz RNEKNNOVLUADBZ-UHFFFAOYSA-N 1 0 358.467 2.454 20 30 FEEDRO N#Cc1cc(NC(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)ccc1Cl ZINC000594325123 673058528 /nfs/dbraw/zinc/05/85/28/673058528.db2.gz BGXIHOCSKAIWIJ-HZPDHXFCSA-N 1 0 360.845 2.283 20 30 FEEDRO C[C@H](C[NH+]1CCCCC1)NC(=O)Nc1nc(CN2CCOCC2)cs1 ZINC000328866220 673068395 /nfs/dbraw/zinc/06/83/95/673068395.db2.gz WPFNQDMRNLGQOK-CQSZACIVSA-N 1 0 367.519 2.176 20 30 FEEDRO CCC[NH+]1CCC(CNC(=O)CN2C(=O)NC3(CCCC3)C2=O)CC1 ZINC000329116135 673072233 /nfs/dbraw/zinc/07/22/33/673072233.db2.gz IMYVCRFULXLXGI-UHFFFAOYSA-N 1 0 350.463 2.134 20 30 FEEDRO CC[C@H](C)NS(=O)(=O)c1cccc(NC(=O)[C@@H]([NH3+])CCCCC#N)c1 ZINC000594445588 673072751 /nfs/dbraw/zinc/07/27/51/673072751.db2.gz IJEDLGUMIMBZAW-BBRMVZONSA-N 1 0 366.487 2.113 20 30 FEEDRO COc1cc2nc(C)sc2cc1NC(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000329370885 673076272 /nfs/dbraw/zinc/07/62/72/673076272.db2.gz AUPVIFBWGBOIAP-LBPRGKRZSA-N 1 0 363.487 2.185 20 30 FEEDRO C[NH+](C)[C@H]1C[C@@H](CNS(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)C1 ZINC000594474107 673080733 /nfs/dbraw/zinc/08/07/33/673080733.db2.gz HBBBPBKNVKNGEX-KLPPZKSPSA-N 1 0 361.389 2.196 20 30 FEEDRO C=CCC[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O ZINC000721711994 673083322 /nfs/dbraw/zinc/08/33/22/673083322.db2.gz ZVLOBJAFBADDOL-HUUCEWRRSA-N 1 0 360.520 2.355 20 30 FEEDRO COC1(CNC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)CCC(C)CC1 ZINC000330034860 673085140 /nfs/dbraw/zinc/08/51/40/673085140.db2.gz WVGPILHIYLAHHG-HFCFLWKCSA-N 1 0 353.507 2.150 20 30 FEEDRO O=C(NCc1nc(C(F)(F)F)n[nH]1)NC1CC[NH+](C2CCCC2)CC1 ZINC000330163716 673086542 /nfs/dbraw/zinc/08/65/42/673086542.db2.gz VIDIALRZDYNRTJ-UHFFFAOYSA-N 1 0 360.384 2.234 20 30 FEEDRO C=C(C)CNC(NC[C@@H]1CCS(=O)(=O)C1)=[NH+]C1C[C@H](C)C[C@H](C)C1 ZINC000330363151 673088232 /nfs/dbraw/zinc/08/82/32/673088232.db2.gz WVXIIYMNGJJIIC-TVXGVJEUSA-N 1 0 355.548 2.357 20 30 FEEDRO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000725809207 673091828 /nfs/dbraw/zinc/09/18/28/673091828.db2.gz IUJWINKNWSZSMR-HOTGVXAUSA-N 1 0 351.491 2.422 20 30 FEEDRO C[N@@H+]1CCCN(CCNC(=S)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000726477795 673125588 /nfs/dbraw/zinc/12/55/88/673125588.db2.gz WVIPZTFBPZUAAI-UHFFFAOYSA-N 1 0 351.907 2.136 20 30 FEEDRO N#Cc1ccc(CC[NH2+][C@@H]2CCCc3ccc(S(N)(=O)=O)cc32)cc1 ZINC000595055425 673189847 /nfs/dbraw/zinc/18/98/47/673189847.db2.gz COHRIIPZXRHJKP-LJQANCHMSA-N 1 0 355.463 2.415 20 30 FEEDRO CCN(C(=O)C(=O)Nc1ccccc1SCCC#N)[C@@H]1CC[N@H+](C)C1 ZINC000595104753 673193451 /nfs/dbraw/zinc/19/34/51/673193451.db2.gz TXQHLPSSDZCZMK-CQSZACIVSA-N 1 0 360.483 2.183 20 30 FEEDRO N#Cc1cccc(S(=O)(=O)N[C@H]2C[NH2+]CC[C@H]2c2ccc(F)cc2)c1 ZINC000595120164 673197230 /nfs/dbraw/zinc/19/72/30/673197230.db2.gz PEJRKEKOFQGTLH-ROUUACIJSA-N 1 0 359.426 2.121 20 30 FEEDRO CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2scc(C(C)(C)C)c2C#N)C1 ZINC000595194491 673207884 /nfs/dbraw/zinc/20/78/84/673207884.db2.gz NUWOZMUEYRDSCH-GFCCVEGCSA-N 1 0 362.499 2.456 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@H+](CC3CC3)C2)cc1F ZINC000595411447 673245996 /nfs/dbraw/zinc/24/59/96/673245996.db2.gz QBGXDQISGAEECR-AWEZNQCLSA-N 1 0 351.447 2.098 20 30 FEEDRO CC(C)[C@@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)CC[NH2+]1 ZINC000595411902 673246095 /nfs/dbraw/zinc/24/60/95/673246095.db2.gz IZPIZDPBEVXBEI-ZDUSSCGKSA-N 1 0 361.389 2.196 20 30 FEEDRO C[C@H]1CCC[N@H+](CCNC(=O)N2CCN(c3ccsc3C#N)CC2)C1 ZINC000595452951 673252574 /nfs/dbraw/zinc/25/25/74/673252574.db2.gz CFYWZKPKAVCGPH-HNNXBMFYSA-N 1 0 361.515 2.183 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)[C@H]2CSCN2C(=O)OC(C)(C)C)CC1 ZINC000729977097 673255584 /nfs/dbraw/zinc/25/55/84/673255584.db2.gz IUURNQQOKPZSPO-CQSZACIVSA-N 1 0 355.504 2.063 20 30 FEEDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)N1CCN(c2ccsc2C#N)CC1 ZINC000595498111 673258412 /nfs/dbraw/zinc/25/84/12/673258412.db2.gz BMNGHZRYTBKLEU-HNNXBMFYSA-N 1 0 361.515 2.326 20 30 FEEDRO CCN1C(=O)[C@@H](CC(=O)NCC[NH+](C)C)SC1=Nc1cccc(C)c1 ZINC000730143273 673263747 /nfs/dbraw/zinc/26/37/47/673263747.db2.gz SOXUNQNYCROWQZ-OAHLLOKOSA-N 1 0 362.499 2.014 20 30 FEEDRO C#CCN1CCC[C@H]1C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000730281313 673268640 /nfs/dbraw/zinc/26/86/40/673268640.db2.gz IHQYRPWVMOVHOA-IBGZPJMESA-N 1 0 357.523 2.314 20 30 FEEDRO N#Cc1cc(Br)ccc1CN1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000595864698 673331626 /nfs/dbraw/zinc/33/16/26/673331626.db2.gz VZVOIEMWDUDBKF-KRWDZBQOSA-N 1 0 364.287 2.352 20 30 FEEDRO C[NH+](C)CCOc1ccc(CN=Nc2ccccc2S(C)(=O)=O)cc1 ZINC000731933559 673348622 /nfs/dbraw/zinc/34/86/22/673348622.db2.gz ONZQXBPWEVZUMN-UHFFFAOYSA-N 1 0 361.467 2.477 20 30 FEEDRO C[C@@H]1CN(CCOC2CC[NH+](CCCSCC#N)CC2)C[C@H](C)O1 ZINC000536932955 673381912 /nfs/dbraw/zinc/38/19/12/673381912.db2.gz DETJYJBUKFMHOO-CALCHBBNSA-N 1 0 355.548 2.223 20 30 FEEDRO C=CCC[C@@H]([NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000537938647 673414761 /nfs/dbraw/zinc/41/47/61/673414761.db2.gz JAEGTSAYOKDGNF-MRXNPFEDSA-N 1 0 353.444 2.208 20 30 FEEDRO Cc1c(Br)cncc1C(=O)N(CCC#N)CCC[NH+](C)C ZINC000596926456 673426453 /nfs/dbraw/zinc/42/64/53/673426453.db2.gz QQFCDAWPPSFXJU-UHFFFAOYSA-N 1 0 353.264 2.460 20 30 FEEDRO CC(C)(C)OC(=O)CC[N@H+](C[C@@H](O)CC(C)(C)C#N)C1CCOCC1 ZINC000598624420 673591975 /nfs/dbraw/zinc/59/19/75/673591975.db2.gz HCJSJEZAMBHEHQ-INIZCTEOSA-N 1 0 354.491 2.500 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)c2cccnc2OCC(F)(F)F)CC1 ZINC000740737906 673651926 /nfs/dbraw/zinc/65/19/26/673651926.db2.gz ZFSBFFLWMAPGOQ-UHFFFAOYSA-N 1 0 355.360 2.240 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)c2c[nH]c(=S)n2-c2ccccc2)CC1 ZINC000740748509 673652383 /nfs/dbraw/zinc/65/23/83/673652383.db2.gz MJLYIQSKXOQGLL-UHFFFAOYSA-N 1 0 354.479 2.379 20 30 FEEDRO C[N@@H+](Cc1ccc([S@](C)=O)cc1)C[C@@H](O)COc1ccccc1C#N ZINC000599309343 673656829 /nfs/dbraw/zinc/65/68/29/673656829.db2.gz WJOBWNJPGJBFCN-NSYGIPOTSA-N 1 0 358.463 2.167 20 30 FEEDRO N#CC1(C[C@H](O)C[NH2+][C@H](CCO)c2ccc(Cl)cc2)CCOCC1 ZINC000599418750 673673034 /nfs/dbraw/zinc/67/30/34/673673034.db2.gz WFTFSCGTXSIYPM-DLBZAZTESA-N 1 0 352.862 2.424 20 30 FEEDRO N#Cc1ccc(CNC(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1F ZINC000599919495 673728002 /nfs/dbraw/zinc/72/80/02/673728002.db2.gz HMWAYPQFNYEQHQ-CHWSQXEVSA-N 1 0 358.339 2.366 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)CSc2ccc3c(c2)OCCO3)CC1 ZINC000743491739 673761756 /nfs/dbraw/zinc/76/17/56/673761756.db2.gz MDHBMZVLPUWIAJ-UHFFFAOYSA-N 1 0 360.479 2.154 20 30 FEEDRO C[NH+](C)C[C@@]1(O)CCCN(c2cc(Br)c(C#N)cc2F)C1 ZINC000601188496 673831672 /nfs/dbraw/zinc/83/16/72/673831672.db2.gz HRSPKUAYOMETDC-HNNXBMFYSA-N 1 0 356.239 2.353 20 30 FEEDRO N#CCc1ccc(CS(=O)(=O)NCc2cccc3c2CC[NH2+]C3)cc1 ZINC000601344691 673845778 /nfs/dbraw/zinc/84/57/78/673845778.db2.gz ALOVARWSBUGPMM-UHFFFAOYSA-N 1 0 355.463 2.018 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2CCCCC[C@@H]([NH3+])C2)cc1C(F)(F)F ZINC000601345723 673845987 /nfs/dbraw/zinc/84/59/87/673845987.db2.gz YTLDNSJEZBCUED-GFCCVEGCSA-N 1 0 361.389 2.469 20 30 FEEDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2c(C)cc(F)cc2C#N)[C@H](C)C1 ZINC000601357017 673847627 /nfs/dbraw/zinc/84/76/27/673847627.db2.gz YGJLMWQUTYQBDV-CZUORRHYSA-N 1 0 353.463 2.357 20 30 FEEDRO Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CC[C@@H]([NH+]2CCCC2)[C@@H]1C ZINC000601415021 673858478 /nfs/dbraw/zinc/85/84/78/673858478.db2.gz PGYUEHNCLGRZFP-XJKSGUPXSA-N 1 0 351.447 2.253 20 30 FEEDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000601421063 673859828 /nfs/dbraw/zinc/85/98/28/673859828.db2.gz HYWRIRFPISHWSI-YGRLFVJLSA-N 1 0 372.288 2.034 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)[C@@H](C)CN(C)C(=O)OC(C)(C)C)CC1 ZINC000746892779 673896634 /nfs/dbraw/zinc/89/66/34/673896634.db2.gz WMBWBJYKGMQROU-HNNXBMFYSA-N 1 0 351.491 2.093 20 30 FEEDRO CCN(C[C@@H](C)C#N)S(=O)(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000548832763 673999336 /nfs/dbraw/zinc/99/93/36/673999336.db2.gz NKTPPURFUIYNOK-XJKSGUPXSA-N 1 0 372.922 2.259 20 30 FEEDRO C=C[C@H](CC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccccc1 ZINC000566293436 675201797 /nfs/dbraw/zinc/20/17/97/675201797.db2.gz SKXBUYPIEUFWEY-ZBFHGGJFSA-N 1 0 355.404 2.299 20 30 FEEDRO CC(C)[C@@H]1CC[N@H+](CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)C1 ZINC000566393758 675210290 /nfs/dbraw/zinc/21/02/90/675210290.db2.gz GAIWQELXBMEKRD-IAGOWNOFSA-N 1 0 360.527 2.435 20 30 FEEDRO C#CC[N@@H+](C)CCCNC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000818593271 675226743 /nfs/dbraw/zinc/22/67/43/675226743.db2.gz SJCAXAOOVCFBPT-LBPRGKRZSA-N 1 0 353.806 2.087 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)C1(CNC(=O)OC(C)(C)C)CCCC1 ZINC000818599559 675227448 /nfs/dbraw/zinc/22/74/48/675227448.db2.gz XQWWXOMRZFZIQM-UHFFFAOYSA-N 1 0 351.491 2.143 20 30 FEEDRO CN(C)c1ccc(C[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)cc1F ZINC000818985490 675249764 /nfs/dbraw/zinc/24/97/64/675249764.db2.gz VBSLXZLSRFZYRS-UHFFFAOYSA-N 1 0 361.442 2.327 20 30 FEEDRO CS(=O)(=O)c1ccc([C@@H](O)C[NH2+][C@@H]2CCc3cc(C#N)ccc32)cc1 ZINC000819271952 675276143 /nfs/dbraw/zinc/27/61/43/675276143.db2.gz YKWIOUZIOONEJB-MOPGFXCFSA-N 1 0 356.447 2.272 20 30 FEEDRO CCS(=O)(=O)c1ccc(C[NH2+]C[C@H](O)c2ccc(C#N)cc2)s1 ZINC000819273683 675276461 /nfs/dbraw/zinc/27/64/61/675276461.db2.gz FFWGJCPDFOOYEJ-HNNXBMFYSA-N 1 0 350.465 2.237 20 30 FEEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+]C[C@@H](CCO)c2ccccc2)c1 ZINC000567588735 675304317 /nfs/dbraw/zinc/30/43/17/675304317.db2.gz HZOFHQZSUVKMEX-GOSISDBHSA-N 1 0 358.463 2.088 20 30 FEEDRO C#C[C@@H](CC)[NH2+]Cc1cc(Br)ccc1O[C@@H](C)C(=O)NC ZINC000824363529 675597983 /nfs/dbraw/zinc/59/79/83/675597983.db2.gz FAOHRTWJYFWVGM-FZMZJTMJSA-N 1 0 353.260 2.464 20 30 FEEDRO CC(C)[C@H](C[NH+](C)C)NC(=O)COc1cccc(Br)c1C#N ZINC000825890931 675672932 /nfs/dbraw/zinc/67/29/32/675672932.db2.gz BASAERHEZHAWJY-AWEZNQCLSA-N 1 0 368.275 2.402 20 30 FEEDRO C#CCO[C@@H](C)C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000827095713 675728712 /nfs/dbraw/zinc/72/87/12/675728712.db2.gz LENJSUNHFBOYHZ-XJKSGUPXSA-N 1 0 350.846 2.165 20 30 FEEDRO C=C(C)C[C@H](NC(C)=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(F)c1 ZINC000616242981 676243496 /nfs/dbraw/zinc/24/34/96/676243496.db2.gz ARLFKOIVUJRXAA-INIZCTEOSA-N 1 0 351.422 2.176 20 30 FEEDRO CCN(CCC#N)S(=O)(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000619714085 676391945 /nfs/dbraw/zinc/39/19/45/676391945.db2.gz PHKQSAJKWDHDBF-GOSISDBHSA-N 1 0 364.515 2.284 20 30 FEEDRO C[N@@H+]1CCN(CCNC(=O)NCc2ccc(C#N)c(Cl)c2)CC1(C)C ZINC000619761280 676393764 /nfs/dbraw/zinc/39/37/64/676393764.db2.gz DKMSBBHAJMOOOW-UHFFFAOYSA-N 1 0 363.893 2.037 20 30 FEEDRO C[NH+](C)CCOC1CCN(C(=O)NCc2ccc(C#N)c(Cl)c2)CC1 ZINC000619828562 676396578 /nfs/dbraw/zinc/39/65/78/676396578.db2.gz UZLUOQIIKQNZDR-UHFFFAOYSA-N 1 0 364.877 2.464 20 30 FEEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000622025633 676486406 /nfs/dbraw/zinc/48/64/06/676486406.db2.gz VFGNMVLCELOJAX-PXAZEXFGSA-N 1 0 367.902 2.256 20 30 FEEDRO C=CCOc1c(Cl)cc(C[NH2+][C@@H]2CCc3nnnn3CC2)cc1OC ZINC000623553247 676540572 /nfs/dbraw/zinc/54/05/72/676540572.db2.gz MQKMENFYWXUZMM-CYBMUJFWSA-N 1 0 363.849 2.395 20 30 FEEDRO C=CCC1([NH2+]CC(=O)Nc2ccc(S(N)(=O)=O)cc2)CCCCC1 ZINC000625935775 676679083 /nfs/dbraw/zinc/67/90/83/676679083.db2.gz MTHQLNOPQJDYSX-UHFFFAOYSA-N 1 0 351.472 2.141 20 30 FEEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000627477793 676756114 /nfs/dbraw/zinc/75/61/14/676756114.db2.gz BNLBIDVWFSIILJ-VXGBXAGGSA-N 1 0 355.891 2.173 20 30 FEEDRO CN(c1ccc(OCC[NH+](C)C)cc1)S(=O)(=O)CC(C)(C)CC#N ZINC000830452073 677040527 /nfs/dbraw/zinc/04/05/27/677040527.db2.gz XIKHFVSUDMMHMV-UHFFFAOYSA-N 1 0 353.488 2.333 20 30 FEEDRO CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](CCCOc2ccc(C#N)cc2)C1 ZINC000830675562 677054286 /nfs/dbraw/zinc/05/42/86/677054286.db2.gz YCEHKSZLIFTPEH-MRXNPFEDSA-N 1 0 355.360 2.328 20 30 FEEDRO C=CC[C@@H]1CC[N@@H+](Cc2ccc(S(N)(=O)=O)c(Br)c2)C1 ZINC000639349232 677158613 /nfs/dbraw/zinc/15/86/13/677158613.db2.gz WMWCDHIFEVWROJ-LLVKDONJSA-N 1 0 359.289 2.495 20 30 FEEDRO C=C(C)[C@@H](CO)[NH+]1CCN(CCCc2nc(-c3cccs3)no2)CC1 ZINC000649223165 677327908 /nfs/dbraw/zinc/32/79/08/677327908.db2.gz ZFBWNKSLKBIQFF-OAHLLOKOSA-N 1 0 362.499 2.285 20 30 FEEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656060313 677704483 /nfs/dbraw/zinc/70/44/83/677704483.db2.gz UHHBAEHLOKVSOE-BETUJISGSA-N 1 0 369.918 2.373 20 30 FEEDRO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2CC1 ZINC000839609066 680765865 /nfs/dbraw/zinc/76/58/65/680765865.db2.gz CDKOZGLQVGCWGV-HRCADAONSA-N 1 0 351.491 2.256 20 30 FEEDRO C#Cc1cccc(NC(=O)C(=O)N(CC[NH+](C)C)Cc2ccsc2)c1 ZINC000839592163 680764493 /nfs/dbraw/zinc/76/44/93/680764493.db2.gz GKTHKFKBRPGGDB-UHFFFAOYSA-N 1 0 355.463 2.258 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H](CO)c2ccc(F)cc2F)CC1 ZINC000660596650 678362371 /nfs/dbraw/zinc/36/23/71/678362371.db2.gz HTKVGIDXCAWTOJ-QGZVFWFLSA-N 1 0 353.413 2.338 20 30 FEEDRO C=CCOCCCNC(=O)NCC1([NH+]2CCC(OC)CC2)CCCC1 ZINC000660622223 678364628 /nfs/dbraw/zinc/36/46/28/678364628.db2.gz PQFDMSJQVAKHTG-UHFFFAOYSA-N 1 0 353.507 2.302 20 30 FEEDRO C=CCN1CCN(C[N@H+]2C[C@@H](CNC(=O)OC(C)(C)C)C[C@@H]2C)C1=O ZINC000840029915 680794150 /nfs/dbraw/zinc/79/41/50/680794150.db2.gz HLRQQCHWWKWFPC-LSDHHAIUSA-N 1 0 352.479 2.103 20 30 FEEDRO C=CC[C@]1(C(=O)Nc2ccc(NS(=O)(=O)CC)c(C)c2)CCC[NH2+]1 ZINC000662518696 678632578 /nfs/dbraw/zinc/63/25/78/678632578.db2.gz IMLCHLDBMVJIAN-QGZVFWFLSA-N 1 0 351.472 2.393 20 30 FEEDRO CC[C@@H](C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N)[NH+](CC)CC ZINC000764205076 680802599 /nfs/dbraw/zinc/80/25/99/680802599.db2.gz YQRZDBIURKPPBC-CABCVRRESA-N 1 0 352.479 2.078 20 30 FEEDRO CS[C@@H]1CN(C(=O)c2c(C)oc(-n3cccc3)c2C#N)C[C@H]1[NH+](C)C ZINC000765273092 680837999 /nfs/dbraw/zinc/83/79/99/680837999.db2.gz WKGFMOYLDQSVHN-HUUCEWRRSA-N 1 0 358.467 2.368 20 30 FEEDRO C[NH+]1CCC(C/N=C/c2cc(Cl)ccc2O)(N2CCOCC2)CC1 ZINC000840711871 680839186 /nfs/dbraw/zinc/83/91/86/680839186.db2.gz SWWJATKPSUHILY-DEDYPNTBSA-N 1 0 351.878 2.261 20 30 FEEDRO COC(=O)c1cc(C(C)(C)C)sc1NC(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000841113336 680864055 /nfs/dbraw/zinc/86/40/55/680864055.db2.gz KEJSZAKLWUYBON-GXSJLCMTSA-N 1 0 350.444 2.065 20 30 FEEDRO C#CCNC(=O)C1CC[NH+](C[C@H](O)c2ccccc2C(F)(F)F)CC1 ZINC000747816702 679904755 /nfs/dbraw/zinc/90/47/55/679904755.db2.gz RDZAIXVPGWLDLB-INIZCTEOSA-N 1 0 354.372 2.200 20 30 FEEDRO C=C(Br)CN1CC[C@@]2(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCC[C@H]12 ZINC000990759558 680072355 /nfs/dbraw/zinc/07/23/55/680072355.db2.gz CZPZSRWGSGIYKN-AIANPOQGSA-N 1 0 370.335 2.348 20 30 FEEDRO C=C(Br)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2C2CCOCC2)C1 ZINC001020387038 680107288 /nfs/dbraw/zinc/10/72/88/680107288.db2.gz IVLWBBFDALNBPE-ZQDZILKHSA-N 1 0 357.292 2.195 20 30 FEEDRO C=C(Cl)C(C)(C)C(=O)N1C[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@]2(C)C1 ZINC000992942279 680138146 /nfs/dbraw/zinc/13/81/46/680138146.db2.gz NNOUPOYDLKZYPT-ZRGWGRIASA-N 1 0 367.921 2.024 20 30 FEEDRO FC(F)(F)CNC(=S)NN=CC1(C[NH+]2CCOCC2)CCCCC1 ZINC000751132693 680155627 /nfs/dbraw/zinc/15/56/27/680155627.db2.gz HQTKAGJVPZQMPC-UHFFFAOYSA-N 1 0 366.453 2.281 20 30 FEEDRO C#C[C@H](NC(=O)[C@@H](C)C[NH+]1CCOCC1)c1ccc(Br)cc1 ZINC000833231278 680191384 /nfs/dbraw/zinc/19/13/84/680191384.db2.gz SHQHMLXFJXNYHH-BBRMVZONSA-N 1 0 365.271 2.208 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[N@H+](CC[C@H]2CCCCO2)CC1 ZINC000981185736 680219121 /nfs/dbraw/zinc/21/91/21/680219121.db2.gz DEENCSOTJXISRD-QRVBRYPASA-N 1 0 350.503 2.461 20 30 FEEDRO C[C@@H]1C[N@H+](C)CC1N=Nc1cc(C(F)(F)F)nc(-c2ccncc2)n1 ZINC000752165236 680226170 /nfs/dbraw/zinc/22/61/70/680226170.db2.gz HLLFWCDPRAMTCC-SNVBAGLBSA-N 1 0 350.348 2.329 20 30 FEEDRO CC[C@H](Cc1cccc(Br)c1)C(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000834489771 680233961 /nfs/dbraw/zinc/23/39/61/680233961.db2.gz PIACPCPWORBVGS-NFAWXSAZSA-N 1 0 350.260 2.246 20 30 FEEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1 ZINC000834494680 680234892 /nfs/dbraw/zinc/23/48/92/680234892.db2.gz OUYSZINDKDGQGO-ZANVPECISA-N 1 0 350.209 2.020 20 30 FEEDRO Cc1cc(C(=O)N[C@H]2C[NH2+]C[C@H]2C#N)c2cc(Br)ccc2n1 ZINC000834494865 680235014 /nfs/dbraw/zinc/23/50/14/680235014.db2.gz QHCVSICGMWDHCX-BMIGLBTASA-N 1 0 359.227 2.147 20 30 FEEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000834500881 680235613 /nfs/dbraw/zinc/23/56/13/680235613.db2.gz XPPBNPDAHZDEQZ-XHDPSFHLSA-N 1 0 360.439 2.471 20 30 FEEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)C1(Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000834499833 680235698 /nfs/dbraw/zinc/23/56/98/680235698.db2.gz NHOYIXGGVLMFGS-GXTWGEPZSA-N 1 0 353.344 2.136 20 30 FEEDRO Cc1nn(-c2ccccc2)c2sc(C(=O)N[C@H]3C[NH2+]C[C@H]3C#N)cc12 ZINC000834512488 680236816 /nfs/dbraw/zinc/23/68/16/680236816.db2.gz XUVOTZZDJIGRIZ-DOMZBBRYSA-N 1 0 351.435 2.237 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2nnc(CC)s2)C1 ZINC000983698535 680322102 /nfs/dbraw/zinc/32/21/02/680322102.db2.gz OFPZUJFPSGVBCS-TUVASFSCSA-N 1 0 364.515 2.066 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2nn(C)cc2Cl)C1 ZINC000983697260 680322117 /nfs/dbraw/zinc/32/21/17/680322117.db2.gz DGBPLCQNUDSCJO-WBOJAVRRSA-N 1 0 366.893 2.039 20 30 FEEDRO N#Cc1cc(Cl)c(C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c(Cl)c1 ZINC000754412282 680354696 /nfs/dbraw/zinc/35/46/96/680354696.db2.gz MGEXWLZYRKJXIP-NEPJUHHUSA-N 1 0 354.237 2.458 20 30 FEEDRO C=C(Br)CN1CCC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001027892948 680363743 /nfs/dbraw/zinc/36/37/43/680363743.db2.gz IFHLBFMOVGGRQR-QLFBSQMISA-N 1 0 358.324 2.206 20 30 FEEDRO C=C(Cl)C[N@H+]1CCC[C@H](N(CC)C(=O)[C@H]2C[C@@H](C)CC(=O)N2)CC1 ZINC000998005089 680371214 /nfs/dbraw/zinc/37/12/14/680371214.db2.gz FVYDRQDXPFLNCX-VNQPRFMTSA-N 1 0 355.910 2.357 20 30 FEEDRO C=CCC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)CC1 ZINC000998065853 680374172 /nfs/dbraw/zinc/37/41/72/680374172.db2.gz IRCSJNGAKMEDSP-ZSYWTGECSA-N 1 0 350.503 2.317 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](Cc2ccc(F)c(F)c2)C1 ZINC001028808904 680383470 /nfs/dbraw/zinc/38/34/70/680383470.db2.gz HBRQBBKKOBLUOK-DAYGRLMNSA-N 1 0 350.409 2.494 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+](Cc2cc(OC)ns2)C1 ZINC001028863941 680385842 /nfs/dbraw/zinc/38/58/42/680385842.db2.gz HCUCHJVSVZRIMH-KMFMINBZSA-N 1 0 365.499 2.071 20 30 FEEDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(c2cccc(S(N)(=O)=O)c2C#N)C1 ZINC000754975356 680391034 /nfs/dbraw/zinc/39/10/34/680391034.db2.gz DYNPCICIUVKMPZ-QLFBSQMISA-N 1 0 362.499 2.047 20 30 FEEDRO Cc1ccc([C@H](CNc2cccc(S(N)(=O)=O)c2C#N)[NH+](C)C)cc1 ZINC000754988225 680392500 /nfs/dbraw/zinc/39/25/00/680392500.db2.gz DNYUFTLOERNGHI-KRWDZBQOSA-N 1 0 358.467 2.229 20 30 FEEDRO C=C(Br)C[NH2+]C1CC(N(C)C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C1 ZINC000999138736 680395556 /nfs/dbraw/zinc/39/55/56/680395556.db2.gz ZZSFJSHLMGYWEE-HKKVPVCXSA-N 1 0 357.292 2.289 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ncc(Cl)n2C)CC1 ZINC001034737099 680438999 /nfs/dbraw/zinc/43/89/99/680438999.db2.gz PPQQDWSJIWNPNH-TUVASFSCSA-N 1 0 366.893 2.182 20 30 FEEDRO C=C(Br)CN1CC2(C1)CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CC2 ZINC001035709855 680451369 /nfs/dbraw/zinc/45/13/69/680451369.db2.gz FFSVVMXXQAKWDF-HUUCEWRRSA-N 1 0 370.335 2.160 20 30 FEEDRO C[C@@H]1[C@H](C(=O)NC[C@H]2CCN2CC#Cc2ccc(Cl)cc2)CC[N@@H+]1C ZINC001038266127 680454807 /nfs/dbraw/zinc/45/48/07/680454807.db2.gz PJOVNVWCBRTNPR-ATZDWAIDSA-N 1 0 359.901 2.222 20 30 FEEDRO C#CC[N@@H+](C)CCCNC(=O)N[C@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 ZINC000836376669 680459895 /nfs/dbraw/zinc/45/98/95/680459895.db2.gz INTGIFBTYDIANM-ROUUACIJSA-N 1 0 362.905 2.340 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)NCC1CC[NH+](C[C@H]2CCCCO2)CC1 ZINC001001414694 680461359 /nfs/dbraw/zinc/46/13/59/680461359.db2.gz YMEXWEQDSJOAJD-QRVBRYPASA-N 1 0 350.503 2.365 20 30 FEEDRO C=C(Br)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@]12C[C@H]1COC2 ZINC001039283127 680462772 /nfs/dbraw/zinc/46/27/72/680462772.db2.gz HINUFABVUMSHIX-LFLYSQGHSA-N 1 0 369.303 2.433 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2C[C@H](C)OC ZINC001039941445 680467985 /nfs/dbraw/zinc/46/79/85/680467985.db2.gz SAZIGLMKVXJSAM-OYSTVDSJSA-N 1 0 350.503 2.458 20 30 FEEDRO C#C[C@@H](NC(=O)N1C[C@H]2CC[N@@H+](C)[C@H]2C1)c1ccc(Br)cc1 ZINC000836519596 680479566 /nfs/dbraw/zinc/47/95/66/680479566.db2.gz OIRZZOOBFMUPQW-BMFZPTHFSA-N 1 0 362.271 2.469 20 30 FEEDRO C[C@@H]1CN(c2snc(Cl)c2C#N)C[C@H]1NC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001042511115 680533174 /nfs/dbraw/zinc/53/31/74/680533174.db2.gz UCUHYINOFUXUPE-NTZNESFSSA-N 1 0 367.906 2.093 20 30 FEEDRO C[C@@H]1CN(c2ncc(C#N)cc2Cl)C[C@H]1NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001042633453 680537135 /nfs/dbraw/zinc/53/71/35/680537135.db2.gz FGICLCZJPYRFBX-DAXOMENPSA-N 1 0 361.877 2.032 20 30 FEEDRO CCS(=O)(=O)N1CCC(C[NH2+]Cc2ccc(O[C@H](C)C#N)cc2)CC1 ZINC000758056666 680552865 /nfs/dbraw/zinc/55/28/65/680552865.db2.gz OYCXONKTWKISSY-OAHLLOKOSA-N 1 0 365.499 2.129 20 30 FEEDRO C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1Nc1nc(C#N)c(Cl)s1 ZINC001043206255 680566009 /nfs/dbraw/zinc/56/60/09/680566009.db2.gz BPUIPGXDXAGBRO-ZYHUDNBSSA-N 1 0 353.879 2.023 20 30 FEEDRO C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1Nc1nc(Cl)c(C#N)s1 ZINC001043565789 680588073 /nfs/dbraw/zinc/58/80/73/680588073.db2.gz ZGPOEANFMUFXGK-DDHJBXDOSA-N 1 0 367.906 2.267 20 30 FEEDRO C#CC[N@@H+](C)CCCNC(=O)NC[C@H](c1ccccc1Cl)N(C)C ZINC000837360061 680592131 /nfs/dbraw/zinc/59/21/31/680592131.db2.gz JUKKDKUOAYJUKI-QGZVFWFLSA-N 1 0 350.894 2.197 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1CC[NH+](CC[C@@H]2CCCO2)CC1 ZINC001006127743 680594248 /nfs/dbraw/zinc/59/42/48/680594248.db2.gz NQWYDXRKLORHOC-FHWLQOOXSA-N 1 0 350.503 2.460 20 30 FEEDRO C#CC[NH+]1CCC2(CO[C@H](CNC(=O)[C@@H]3C[C@H]3c3ccsc3)C2)CC1 ZINC001045675394 680637721 /nfs/dbraw/zinc/63/77/21/680637721.db2.gz RXKWKZVAPCJYCL-OKZBNKHCSA-N 1 0 358.507 2.472 20 30 FEEDRO C=C(Cl)C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1OCCO[C@H]1C)C2 ZINC001045945530 680642021 /nfs/dbraw/zinc/64/20/21/680642021.db2.gz UZWVGDNKMIHDOZ-BQFCYCMXSA-N 1 0 356.894 2.247 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@]1(C)CC[N@H+](CCC2CCOCC2)C1 ZINC001046325688 680645792 /nfs/dbraw/zinc/64/57/92/680645792.db2.gz AAVBLJIESBWGER-WSTZPKSXSA-N 1 0 350.503 2.365 20 30 FEEDRO C=C(C)C[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2C[C@H]2c2cncn2C)C1 ZINC001046974062 680655002 /nfs/dbraw/zinc/65/50/02/680655002.db2.gz DCKAJWQLTUBPES-RBSFLKMASA-N 1 0 352.429 2.173 20 30 FEEDRO C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H](Nc2ncc(C#N)cc2Cl)C1 ZINC001047217338 680658607 /nfs/dbraw/zinc/65/86/07/680658607.db2.gz PGDGAEMKHYLWRP-BJJXKVORSA-N 1 0 361.877 2.398 20 30 FEEDRO C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CC[C@@H](Nc3nc(C#N)c(Cl)s3)C2)C1 ZINC001047310630 680660324 /nfs/dbraw/zinc/66/03/24/680660324.db2.gz WDZQZZUFAKTMBB-SDDRHHMPSA-N 1 0 367.906 2.317 20 30 FEEDRO C#CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2ccc(Cl)s2)C1 ZINC001047501508 680664575 /nfs/dbraw/zinc/66/45/75/680664575.db2.gz DZIRXMHRVWBKRP-MQYQWHSLSA-N 1 0 352.887 2.032 20 30 FEEDRO C#C[C@H](NC(=O)C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1)C(C)(C)C ZINC000841130434 680864920 /nfs/dbraw/zinc/86/49/20/680864920.db2.gz QMTIZGGJZJNTCZ-ZDUSSCGKSA-N 1 0 355.360 2.267 20 30 FEEDRO CC(C)Oc1cc(Br)cc(NC(=O)N[C@H]2C[NH2+]C[C@H]2C#N)c1 ZINC000841136474 680865271 /nfs/dbraw/zinc/86/52/71/680865271.db2.gz TWWWWUCPRBGPIT-YGRLFVJLSA-N 1 0 367.247 2.469 20 30 FEEDRO Cc1nc2cc(Br)cc(NC(=O)N[C@H]3C[NH2+]C[C@H]3C#N)c2o1 ZINC000841195382 680868624 /nfs/dbraw/zinc/86/86/24/680868624.db2.gz XHSBBOADDFXBII-PELKAZGASA-N 1 0 364.203 2.132 20 30 FEEDRO CCc1c(NC(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)cnn1-c1ccccc1Cl ZINC000841214693 680869390 /nfs/dbraw/zinc/86/93/90/680869390.db2.gz QQHPSTHQJIXJAL-DGCLKSJQSA-N 1 0 358.833 2.321 20 30 FEEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)Nc1ccc(F)cc1OCCC(F)(F)F ZINC000841229895 680870145 /nfs/dbraw/zinc/87/01/45/680870145.db2.gz HAVFDQMNQSTGBU-JOYOIKCWSA-N 1 0 360.311 2.390 20 30 FEEDRO C#C[C@@H](NC(=O)NC[C@H]1CCC[NH2+]C1)c1ccc(Br)cc1 ZINC000841924134 680917440 /nfs/dbraw/zinc/91/74/40/680917440.db2.gz UPNYTJNWCDJQSV-SWLSCSKDSA-N 1 0 350.260 2.422 20 30 FEEDRO CCc1ccc([C@H](O)C[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000843093467 680987220 /nfs/dbraw/zinc/98/72/20/680987220.db2.gz MUNVKXHMWQUDPK-LJQANCHMSA-N 1 0 358.463 2.218 20 30 FEEDRO CC[NH+](CC)CC#C[C@H](C)OC(=O)[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000770790721 681027705 /nfs/dbraw/zinc/02/77/05/681027705.db2.gz HQOBFXSTLOGPQM-JKSUJKDBSA-N 1 0 365.495 2.471 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC2(C1)CC[NH+](C[C@H](CC)OC)CC2 ZINC001050696243 681054516 /nfs/dbraw/zinc/05/45/16/681054516.db2.gz VYQFGWHFSXQRLC-BZSNNMDCSA-N 1 0 350.503 2.317 20 30 FEEDRO C[C@@H]1CCC[N@@H+]1CC(=O)N[C@H]1CCN(c2nc(Cl)c(C#N)s2)[C@@H]1C ZINC001051027198 681060665 /nfs/dbraw/zinc/06/06/65/681060665.db2.gz NUJPOJXTDUCCIH-UTUOFQBUSA-N 1 0 367.906 2.236 20 30 FEEDRO C[C@@H]1[C@H](C(=O)N[C@H]2CCN(c3snc(Cl)c3C#N)[C@@H]2C)CC[N@@H+]1C ZINC001051146162 681064097 /nfs/dbraw/zinc/06/40/97/681064097.db2.gz WNGZDNJEEKPGNB-UZWSLXQKSA-N 1 0 367.906 2.092 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CCC2CCOCC2)CC1 ZINC001052723112 681084468 /nfs/dbraw/zinc/08/44/68/681084468.db2.gz QCXDLNREUCDPOB-OTWHNJEPSA-N 1 0 350.503 2.365 20 30 FEEDRO CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N ZINC000773271667 681133837 /nfs/dbraw/zinc/13/38/37/681133837.db2.gz VTEBZYJCCRDSLS-KBPBESRZSA-N 1 0 352.479 2.125 20 30 FEEDRO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](N(C)c3snc(C)c3C#N)C2)CC[N@@H+]1C ZINC001057052496 681158419 /nfs/dbraw/zinc/15/84/19/681158419.db2.gz HVQGKAIBXAYQJS-OFQRWUPVSA-N 1 0 361.515 2.091 20 30 FEEDRO C[C@@H]1[C@H](C(=O)NC2CCN(c3nc(Cl)c(C#N)s3)CC2)CC[N@@H+]1C ZINC001057964868 681166292 /nfs/dbraw/zinc/16/62/92/681166292.db2.gz MEJFAHGPZSPYPY-ZYHUDNBSSA-N 1 0 367.906 2.093 20 30 FEEDRO Cc1nsc(NC[C@@H]2CCCCN2C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1C#N ZINC001060317315 681199942 /nfs/dbraw/zinc/19/99/42/681199942.db2.gz AMVFKKDVSGZMFI-QLFBSQMISA-N 1 0 361.515 2.456 20 30 FEEDRO C[N@H+]1C[C@H]2CN(C(=O)N[C@H](c3cccc(C#N)c3)C(F)(F)F)C[C@H]2C1 ZINC000932236110 681202719 /nfs/dbraw/zinc/20/27/19/681202719.db2.gz ZROYMAMWVUQETR-QLFBSQMISA-N 1 0 352.360 2.365 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)[C@@H]1CCOc2ccc(Br)cc21 ZINC000846228283 681204945 /nfs/dbraw/zinc/20/49/45/681204945.db2.gz LWTCHFBFJIBDAM-CQSZACIVSA-N 1 0 365.271 2.387 20 30 FEEDRO C[NH+]1CCC(OCC(=O)N[C@@H](C#N)c2ccccc2Br)CC1 ZINC000932752810 681302013 /nfs/dbraw/zinc/30/20/13/681302013.db2.gz ZCYRWVZVTYCMQC-HNNXBMFYSA-N 1 0 366.259 2.241 20 30 FEEDRO C=CCC[C@@H](O)C[NH+]1CCC(OC2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000932795317 681312026 /nfs/dbraw/zinc/31/20/26/681312026.db2.gz KRMOKRGRJBSLTL-OAHLLOKOSA-N 1 0 354.491 2.414 20 30 FEEDRO N#Cc1ccccc1-c1ccc(C[N@H+]2CC[C@H](CS(N)(=O)=O)C2)cc1 ZINC000932953597 681335851 /nfs/dbraw/zinc/33/58/51/681335851.db2.gz YDPNKLYAYYGSLC-INIZCTEOSA-N 1 0 355.463 2.336 20 30 FEEDRO COC(=O)N1CCC[C@@H]([C@H](C)[NH2+]CC(=O)Nc2sccc2C#N)C1 ZINC000775809983 681337454 /nfs/dbraw/zinc/33/74/54/681337454.db2.gz ISHAVBWTUQZWFE-WCQYABFASA-N 1 0 350.444 2.015 20 30 FEEDRO COC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]CCC(=O)Nc2sccc2C#N)C1 ZINC000775813130 681338457 /nfs/dbraw/zinc/33/84/57/681338457.db2.gz BKWUKRUWTMFFPZ-TZMCWYRMSA-N 1 0 364.471 2.405 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1CCC[N@H+](Cc2snnc2C)CC1 ZINC000948785502 681598321 /nfs/dbraw/zinc/59/83/21/681598321.db2.gz LIKBJXORDNYBPZ-XHSDSOJGSA-N 1 0 364.515 2.251 20 30 FEEDRO C#CC[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1C[C@H]1c1sccc1C)CCO2 ZINC000949095575 681617416 /nfs/dbraw/zinc/61/74/16/681617416.db2.gz QENQRJAYIFKOEW-IAGOWNOFSA-N 1 0 358.507 2.487 20 30 FEEDRO Nc1nc(Cl)cc(N=NCC2(C[NH+]3CCOCC3)CCCCC2)n1 ZINC000778543246 681621935 /nfs/dbraw/zinc/62/19/35/681621935.db2.gz KCMVMDHQARHWRU-UHFFFAOYSA-N 1 0 352.870 2.393 20 30 FEEDRO CN(C)[S@@](C)(=O)=NCC1CC[NH+](CCOc2ccccc2C#N)CC1 ZINC000934759525 681625064 /nfs/dbraw/zinc/62/50/64/681625064.db2.gz KIPWMYAKAHPXGW-VWLOTQADSA-N 1 0 364.515 2.223 20 30 FEEDRO C=CCC[N@@H+]1CCOC2(CCN(C(=O)[C@H]3OCC[C@H]3C(C)C)CC2)C1 ZINC000949369958 681635509 /nfs/dbraw/zinc/63/55/09/681635509.db2.gz INFYRKFYFDEUON-ROUUACIJSA-N 1 0 350.503 2.317 20 30 FEEDRO C=C(C)CNC(=[NH2+])NCC1(COC)CCN(C(=O)OC(C)(C)C)CC1 ZINC000849003636 681648030 /nfs/dbraw/zinc/64/80/30/681648030.db2.gz XEKXXYVWXQBDHX-UHFFFAOYSA-N 1 0 354.495 2.340 20 30 FEEDRO C[NH+]=C(NCc1ccco1)NC[C@H](CO)Cc1cc(F)c(F)c(F)c1 ZINC000849105730 681653743 /nfs/dbraw/zinc/65/37/43/681653743.db2.gz WGJNZGYXKWSERG-GFCCVEGCSA-N 1 0 355.360 2.213 20 30 FEEDRO C=C(C)[C@H]1OCC[C@@H]1CNC(=[NH2+])N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000849106008 681654448 /nfs/dbraw/zinc/65/44/48/681654448.db2.gz OFKMEFYBKFWSFE-HUUCEWRRSA-N 1 0 352.479 2.045 20 30 FEEDRO C=C(C)CNC(=[NH2+])NC[C@H](CO)Cc1ccc(OC)c(Br)c1 ZINC000849115068 681657147 /nfs/dbraw/zinc/65/71/47/681657147.db2.gz DKFVOXNYHIOBHM-CYBMUJFWSA-N 1 0 370.291 2.299 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N(CC)C1C[NH+](CCCC2CCOCC2)C1 ZINC000951785256 681756796 /nfs/dbraw/zinc/75/67/96/681756796.db2.gz FXRUCGUXQRJHKX-MOPGFXCFSA-N 1 0 350.503 2.317 20 30 FEEDRO C[C@H](Oc1ccc(F)cc1Br)C(=O)NCC#CC[NH+](C)C ZINC000913516972 685479208 /nfs/dbraw/zinc/47/92/08/685479208.db2.gz NJKNCHFTRQMGOM-NSHDSACASA-N 1 0 357.223 2.037 20 30 FEEDRO C[NH+](C)CC#CCNC(=O)C1(c2cc(F)cc(Br)c2)CC1 ZINC000913522337 685479266 /nfs/dbraw/zinc/47/92/66/685479266.db2.gz FKYYYTNIROPXMH-UHFFFAOYSA-N 1 0 353.235 2.301 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(C[N@@H+](CC)Cc2cnns2)CC1 ZINC000957755644 681922150 /nfs/dbraw/zinc/92/21/50/681922150.db2.gz LTVVPIRGMKDZAJ-SJORKVTESA-N 1 0 364.515 2.190 20 30 FEEDRO C[C@H]([NH2+]C[C@@H](O)c1ccc(C#N)cc1)c1cccc(NS(C)(=O)=O)c1 ZINC000781910883 681987528 /nfs/dbraw/zinc/98/75/28/681987528.db2.gz OXJYFDGQNQOFFE-SCLBCKFNSA-N 1 0 359.451 2.314 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCc3csc(C)n3)C[C@H]21 ZINC000959945647 682012823 /nfs/dbraw/zinc/01/28/23/682012823.db2.gz LKHNLCCYMZHIJI-ZBRFXRBCSA-N 1 0 361.511 2.022 20 30 FEEDRO C=C(C[NH+](C)C)C(=O)N1CCC(Cc2nc(C(=O)OCC)cs2)CC1 ZINC000915317758 685514291 /nfs/dbraw/zinc/51/42/91/685514291.db2.gz POIYYERUYBRJEO-UHFFFAOYSA-N 1 0 365.499 2.219 20 30 FEEDRO CC(C)(C#N)CS(=O)(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000915569686 685516274 /nfs/dbraw/zinc/51/62/74/685516274.db2.gz ZFECJGYBKPCQEZ-LJQANCHMSA-N 1 0 361.511 2.464 20 30 FEEDRO C#CC[N@H+](C[C@H]1CNC(=O)C1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000851771343 682129121 /nfs/dbraw/zinc/12/91/21/682129121.db2.gz BVXHERIATLWLEV-IUODEOHRSA-N 1 0 363.255 2.344 20 30 FEEDRO C#CCOCC[NH+]1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000851825512 682149726 /nfs/dbraw/zinc/14/97/26/682149726.db2.gz JUEONLBVMGKSCR-UHFFFAOYSA-N 1 0 366.259 2.144 20 30 FEEDRO C#C[C@@](C)(CC)[NH2+]CC(=O)Nc1ccc(S(=O)(=O)N(CC)CC)cc1 ZINC000852099813 682219919 /nfs/dbraw/zinc/21/99/19/682219919.db2.gz DNBRQBNNNOFJBQ-SFHVURJKSA-N 1 0 365.499 2.047 20 30 FEEDRO C#CCN(C(=O)NCCOc1ccc(F)c(F)c1)C1CC[NH+](C)CC1 ZINC000917163294 685530130 /nfs/dbraw/zinc/53/01/30/685530130.db2.gz OSKBHYLGKKEQTP-UHFFFAOYSA-N 1 0 351.397 2.083 20 30 FEEDRO C#C[C@H](NC(=O)N(C)CC1C[NH+](C)C1)c1ccc(Br)cc1 ZINC000852360714 682266623 /nfs/dbraw/zinc/26/66/23/682266623.db2.gz KWDBMQQXUQRUGW-HNNXBMFYSA-N 1 0 350.260 2.326 20 30 FEEDRO N#Cc1ccc(NC(=O)CC[N@@H+]2CC[C@H](N3CCOC3=O)C2)cc1Cl ZINC000852435424 682277946 /nfs/dbraw/zinc/27/79/46/682277946.db2.gz OHKRUWAWAFIZDI-AWEZNQCLSA-N 1 0 362.817 2.067 20 30 FEEDRO C[NH+]1C[C@@]2(C)CN(S(=O)(=O)c3cccc(Cl)c3C#N)C[C@]2(C)C1 ZINC000918351450 685538589 /nfs/dbraw/zinc/53/85/89/685538589.db2.gz JZANCXVXTVHVHQ-HOTGVXAUSA-N 1 0 353.875 2.174 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H](C)C1C[NH+](CC2CCOCC2)C1 ZINC000970559993 682307085 /nfs/dbraw/zinc/30/70/85/682307085.db2.gz IGZBMKYAOQUHDV-MNEFBYGVSA-N 1 0 350.503 2.221 20 30 FEEDRO C#CCC[N@@H+](CCOC)C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000852748577 682335455 /nfs/dbraw/zinc/33/54/55/682335455.db2.gz DNWMINFWAJQLRH-HNNXBMFYSA-N 1 0 374.250 2.300 20 30 FEEDRO COC(=O)C[C@@H](NC(=O)C#CC1CC[NH2+]CC1)c1ccc(SC)cc1 ZINC000852834632 682348551 /nfs/dbraw/zinc/34/85/51/682348551.db2.gz VPCJBRSXIWOPRN-QGZVFWFLSA-N 1 0 360.479 2.132 20 30 FEEDRO O=C(C#CC1CC[NH2+]CC1)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000852858353 682350849 /nfs/dbraw/zinc/35/08/49/682350849.db2.gz ZSTLRKPYFMEZLK-UHFFFAOYSA-N 1 0 367.280 2.040 20 30 FEEDRO C=C(Cl)C(C)(C)C(=O)N1C[C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@H]21 ZINC000972340483 682408030 /nfs/dbraw/zinc/40/80/30/682408030.db2.gz WHMCRGAAGCZRAW-DTZQCDIJSA-N 1 0 367.921 2.165 20 30 FEEDRO COC(=O)CC[NH+]1CCC(=NNC(=S)N[C@@H]2CCC[C@H](C)[C@H]2C)CC1 ZINC000788705418 682552143 /nfs/dbraw/zinc/55/21/43/682552143.db2.gz VWZVNLAYPLGOPF-SQWLQELKSA-N 1 0 368.547 2.290 20 30 FEEDRO COC(=O)CC[NH+]1CCC(N=Nc2ccc(Br)cn2)CC1 ZINC000788714872 682553407 /nfs/dbraw/zinc/55/34/07/682553407.db2.gz NRELBWHGTVCVLE-UHFFFAOYSA-N 1 0 355.236 2.271 20 30 FEEDRO CC[C@H](C)NN=C(C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000790183305 682659855 /nfs/dbraw/zinc/65/98/55/682659855.db2.gz LNKZALOCOYQXGM-AWEZNQCLSA-N 1 0 354.520 2.029 20 30 FEEDRO C=CCCC[NH2+][C@@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000790495667 682682052 /nfs/dbraw/zinc/68/20/52/682682052.db2.gz KHTJMMKXSRHUTP-ZDUSSCGKSA-N 1 0 360.501 2.029 20 30 FEEDRO COC[C@@]1(C[NH2+]C[C@@H](C#N)CCC#N)CCCN1C(=O)OC(C)(C)C ZINC000795353882 683043779 /nfs/dbraw/zinc/04/37/79/683043779.db2.gz RGUZBQMFNRPJSN-QAPCUYQASA-N 1 0 350.463 2.436 20 30 FEEDRO C=CCS(=O)(=O)CC[NH2+]C1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC000796341378 683154418 /nfs/dbraw/zinc/15/44/18/683154418.db2.gz BEOWEYTUHFGKPZ-UHFFFAOYSA-N 1 0 360.520 2.260 20 30 FEEDRO C#CCSCC[NH2+][C@H](C1CC1)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000796815939 683197824 /nfs/dbraw/zinc/19/78/24/683197824.db2.gz GBJOLDOCHGUSSV-JKSUJKDBSA-N 1 0 354.516 2.357 20 30 FEEDRO C#CC[N@H+]1CCC[C@@H]1COC(=O)Cc1ccc(OC)c(OC(F)F)c1 ZINC000860529673 683256194 /nfs/dbraw/zinc/25/61/94/683256194.db2.gz KDVGWSNZSMJBRU-CQSZACIVSA-N 1 0 353.365 2.480 20 30 FEEDRO C[NH+](C)CCN(CCc1ccccc1)S(=O)(=O)c1ccc(C#N)s1 ZINC000797820314 683276122 /nfs/dbraw/zinc/27/61/22/683276122.db2.gz QTWYIEZWWOKTAA-UHFFFAOYSA-N 1 0 363.508 2.415 20 30 FEEDRO C=CC[C@H](CC)[NH2+][C@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000798938258 683406238 /nfs/dbraw/zinc/40/62/38/683406238.db2.gz ZWZRBQCWLPPOMO-HIFRSBDPSA-N 1 0 374.528 2.418 20 30 FEEDRO C=CCN1CC[C@@H]([N@H+](C)CC2CCN(C(=O)OC(C)(C)C)CC2)C1=O ZINC000798956599 683408208 /nfs/dbraw/zinc/40/82/08/683408208.db2.gz FXBOBWKIVLZVDB-MRXNPFEDSA-N 1 0 351.491 2.352 20 30 FEEDRO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)C1=O ZINC000799142454 683426676 /nfs/dbraw/zinc/42/66/76/683426676.db2.gz SXSQKZKHWIBGBM-XHSDSOJGSA-N 1 0 351.491 2.399 20 30 FEEDRO C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)OC(C)(C)C)[C@H](CC)C2)C1=O ZINC000799145856 683427338 /nfs/dbraw/zinc/42/73/38/683427338.db2.gz OLBQOWZWWPNBLX-OAGGEKHMSA-N 1 0 351.491 2.399 20 30 FEEDRO CN(CCOCC[NH3+])C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 ZINC000861589487 683439369 /nfs/dbraw/zinc/43/93/69/683439369.db2.gz FYPBVBJYFPJWLN-UHFFFAOYSA-N 1 0 358.467 2.403 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)c2ccc(Br)c(OC)c2)CC1 ZINC000928648783 683480997 /nfs/dbraw/zinc/48/09/97/683480997.db2.gz RNGMLFKDEBSDRZ-UHFFFAOYSA-N 1 0 351.244 2.285 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)c2cc(OC)ccc2OC(F)(F)F)CC1 ZINC000928651122 683481352 /nfs/dbraw/zinc/48/13/52/683481352.db2.gz NIPLORQGMXSUNK-UHFFFAOYSA-N 1 0 356.344 2.421 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)c2ccsc2NC(=O)c2ccco2)CC1 ZINC000928655667 683482003 /nfs/dbraw/zinc/48/20/03/683482003.db2.gz WNMKJVLEYAKVEQ-UHFFFAOYSA-N 1 0 357.435 2.421 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)CCCCN(C)C(=O)OC(C)(C)C)CC1 ZINC000928660379 683483620 /nfs/dbraw/zinc/48/36/20/683483620.db2.gz BLUATDIBMQHTAN-UHFFFAOYSA-N 1 0 351.491 2.237 20 30 FEEDRO N#Cc1ccc(Br)c(CNC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000921691516 683544337 /nfs/dbraw/zinc/54/43/37/683544337.db2.gz YWVMXUJXSZRPKP-HUUCEWRRSA-N 1 0 350.260 2.274 20 30 FEEDRO C#C[C@H]([NH2+][C@@H](C)[C@H]1CN(C(=O)OC(C)(C)C)CCO1)C1CCOCC1 ZINC000862419334 683588788 /nfs/dbraw/zinc/58/87/88/683588788.db2.gz QGHVKTBPFNFOJU-BHYGNILZSA-N 1 0 352.475 2.029 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)Nc2cc3c(cc2SC)OCCO3)CC1 ZINC000930097444 683679050 /nfs/dbraw/zinc/67/90/50/683679050.db2.gz GPPPZPOIQAGBBT-UHFFFAOYSA-N 1 0 361.467 2.399 20 30 FEEDRO C[C@](O)(C[N@@H+]1CC[C@H](C(F)(F)F)[C@@H](CO)C1)C(F)(F)C(F)(F)F ZINC000930452038 683736250 /nfs/dbraw/zinc/73/62/50/683736250.db2.gz FZLRIMHBQGOODK-VGMNWLOBSA-N 1 0 359.257 2.428 20 30 FEEDRO C[C@](O)(C[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H](CO)C1)C(F)(F)C(F)(F)F ZINC000930452037 683736319 /nfs/dbraw/zinc/73/63/19/683736319.db2.gz FZLRIMHBQGOODK-HLTSFMKQSA-N 1 0 359.257 2.428 20 30 FEEDRO C#CC[C@H](COC)[NH2+]CCC(=O)Nc1cc(OC)c(Cl)cc1OC ZINC000863589620 683746885 /nfs/dbraw/zinc/74/68/85/683746885.db2.gz SNEISIIOENXBQX-GFCCVEGCSA-N 1 0 354.834 2.314 20 30 FEEDRO C#CC[C@@H](COC)NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC000863804861 683774854 /nfs/dbraw/zinc/77/48/54/683774854.db2.gz KJJVTIMSIXJXBU-IRXDYDNUSA-N 1 0 350.409 2.298 20 30 FEEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@H](O)CC1(O)CCC(C(=O)OCC)CC1 ZINC000931063807 683826035 /nfs/dbraw/zinc/82/60/35/683826035.db2.gz VLTHMEUNMZRQMM-PBIMCDDKSA-N 1 0 351.487 2.405 20 30 FEEDRO C#CC1(O)CC[NH+](CCc2nc3sc4c(c3c(N)n2)CCCC4)CC1 ZINC000931151155 683842491 /nfs/dbraw/zinc/84/24/91/683842491.db2.gz OCYLGDBNYHPOOL-UHFFFAOYSA-N 1 0 356.495 2.155 20 30 FEEDRO C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1CC[N@@H+](CC)C1 ZINC000864961547 683914619 /nfs/dbraw/zinc/91/46/19/683914619.db2.gz BQPCBTGMWHFKDK-KBPBESRZSA-N 1 0 359.898 2.480 20 30 FEEDRO C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000865007109 683922137 /nfs/dbraw/zinc/92/21/37/683922137.db2.gz NACYAZOKESTFCR-OCCSQVGLSA-N 1 0 357.882 2.375 20 30 FEEDRO N#C[C@@]1(C(=O)NCC2([NH+]3CCSCC3)CCCCC2)CCCOC1 ZINC000865734773 684020845 /nfs/dbraw/zinc/02/08/45/684020845.db2.gz NVLKGXTYWADAAH-KRWDZBQOSA-N 1 0 351.516 2.175 20 30 FEEDRO C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC[N@H+]1CC[C@H](C)C1 ZINC000866271223 684087301 /nfs/dbraw/zinc/08/73/01/684087301.db2.gz GFNYSQVIHAGTIT-JSGCOSHPSA-N 1 0 359.898 2.480 20 30 FEEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)CN1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931280266 684253896 /nfs/dbraw/zinc/25/38/96/684253896.db2.gz LODCPCCMYHCKLM-XTDOFWJNSA-N 1 0 358.511 2.369 20 30 FEEDRO C#CC[C@H](CO)NC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000923449156 684282464 /nfs/dbraw/zinc/28/24/64/684282464.db2.gz KNUJAIADIREVTQ-IUODEOHRSA-N 1 0 358.269 2.280 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)Nc2cc(C)cnc2Br)CC1 ZINC000931510729 684295291 /nfs/dbraw/zinc/29/52/91/684295291.db2.gz XPXVIJHGFDTZOF-UHFFFAOYSA-N 1 0 351.248 2.372 20 30 FEEDRO C[NH2+]C[C@](C)(O)CN1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000923530520 684299815 /nfs/dbraw/zinc/29/98/15/684299815.db2.gz FAGZSFIBWXJEIU-YIZRAAEISA-N 1 0 370.284 2.060 20 30 FEEDRO C[NH+]1CCC2(CCN(S(=O)(=O)Cc3ccc(CC#N)cc3)CC2)CC1 ZINC000867618938 684333439 /nfs/dbraw/zinc/33/34/39/684333439.db2.gz AIBACNFYBYTWAG-UHFFFAOYSA-N 1 0 361.511 2.390 20 30 FEEDRO C[NH+]1CCN(c2ncccc2CNC(=O)Nc2sccc2C#N)CC1 ZINC000931845018 684356112 /nfs/dbraw/zinc/35/61/12/684356112.db2.gz KICVZUQRTTUGGZ-UHFFFAOYSA-N 1 0 356.455 2.088 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)NCCc2sccc2Br)CC1 ZINC000924005461 684386823 /nfs/dbraw/zinc/38/68/23/684386823.db2.gz FJRKSONVBMIVHH-UHFFFAOYSA-N 1 0 370.316 2.450 20 30 FEEDRO N#CCCN(C(=O)C[N@@H+]1CC[C@H](C2OCCO2)C1)c1cccc(Cl)c1 ZINC000932008445 684389198 /nfs/dbraw/zinc/38/91/98/684389198.db2.gz RSWREOFIXRQFLB-AWEZNQCLSA-N 1 0 363.845 2.281 20 30 FEEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@@H]1CN(Cc2ccccc2)C[C@H]1C(F)(F)F ZINC000932070007 684400883 /nfs/dbraw/zinc/40/08/83/684400883.db2.gz XVWYWYRXSHFLSF-FVQBIDKESA-N 1 0 355.404 2.330 20 30 FEEDRO CC(C)(C)c1csc(NC(=O)C(=O)N2C3CCC2(C[NH3+])CC3)c1C#N ZINC000868287999 684475662 /nfs/dbraw/zinc/47/56/62/684475662.db2.gz TYNJWBVDNPUCIF-UHFFFAOYSA-N 1 0 360.483 2.338 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)Nc2nnc(C(F)(F)C(F)(F)F)s2)CC1 ZINC000869637641 684638200 /nfs/dbraw/zinc/63/82/00/684638200.db2.gz PVFGBKXDIMFFQN-UHFFFAOYSA-N 1 0 368.331 2.476 20 30 FEEDRO C=CCn1c(Cc2nc(C)cs2)nnc1N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000871050137 684782427 /nfs/dbraw/zinc/78/24/27/684782427.db2.gz GSAAVZMQPARRHD-GJZGRUSLSA-N 1 0 358.515 2.350 20 30 FEEDRO C[C@H](C[NH2+]C[C@@H](O)c1ccc(C#N)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000872232126 684929804 /nfs/dbraw/zinc/92/98/04/684929804.db2.gz VXCIPFWVJZDCCK-AUUYWEPGSA-N 1 0 358.463 2.388 20 30 FEEDRO C[C@H]1C(N=Nc2cc(C(F)(F)F)nc(-c3ccncc3)n2)CC[N@@H+]1C ZINC000872352755 684939323 /nfs/dbraw/zinc/93/93/23/684939323.db2.gz FUNANJFPSXHUOY-JTQLQIEISA-N 1 0 350.348 2.471 20 30 FEEDRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000872661963 684999873 /nfs/dbraw/zinc/99/98/73/684999873.db2.gz BAKAUZLFEMLOQH-KBPBESRZSA-N 1 0 373.400 2.434 20 30 FEEDRO Cc1sc(C[NH2+]CCNC(=O)C2N=CC=CC2=O)cc1Br ZINC000873049329 685059412 /nfs/dbraw/zinc/05/94/12/685059412.db2.gz GAZBCYAUBRSJID-YPKPFQOOSA-N 1 0 370.272 2.435 20 30 FEEDRO C#CC[C@@H](CCOC)NC(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000875914088 686103042 /nfs/dbraw/zinc/10/30/42/686103042.db2.gz KDCDGIJQFYTQRQ-AWEZNQCLSA-N 1 0 363.424 2.473 20 30 FEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N(CC(N)=O)[C@@H](C)c1ccc(CCC)cc1 ZINC000876620010 686229833 /nfs/dbraw/zinc/22/98/33/686229833.db2.gz IREQZIQEKNCJTQ-XJKSGUPXSA-N 1 0 351.878 2.484 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H](C)c1ccc2c(c1)O[C@H](CC)C(=O)N2 ZINC000876686097 686243447 /nfs/dbraw/zinc/24/34/47/686243447.db2.gz PCETZIQWPCLGMM-VHRBIJSZSA-N 1 0 351.834 2.443 20 30 FEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC[C@H](C(=O)N(CC)CC(F)(F)F)C1 ZINC000876686318 686243545 /nfs/dbraw/zinc/24/35/45/686243545.db2.gz UXXIRZUIKBCOSI-NWDGAFQWSA-N 1 0 369.815 2.106 20 30 FEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCN(c2ccc(C(C)=O)cc2F)CC1 ZINC000876713526 686251438 /nfs/dbraw/zinc/25/14/38/686251438.db2.gz KZDCIGVNEAIYGM-OAHLLOKOSA-N 1 0 353.825 2.147 20 30 FEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCN(Cc2ccc(OCC)cc2)CC1 ZINC000876714850 686251495 /nfs/dbraw/zinc/25/14/95/686251495.db2.gz CWOOKIUXWQEWMW-QGZVFWFLSA-N 1 0 351.878 2.199 20 30 FEEDRO Cc1nsc(N2CCC[N@@H+](Cc3cc(C#N)ccc3N(C)C)CC2)n1 ZINC000876773643 686265624 /nfs/dbraw/zinc/26/56/24/686265624.db2.gz CPLCVUQNBJEEHH-UHFFFAOYSA-N 1 0 356.499 2.497 20 30 FEEDRO C=C(Cl)C[C@@H](NC(=O)Cc1cccc2c1CC[NH2+]C2)C(=O)OCC ZINC000877144058 686332391 /nfs/dbraw/zinc/33/23/91/686332391.db2.gz FRSRUYUQEKDRQY-MRXNPFEDSA-N 1 0 350.846 2.065 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NCc1nc(C(F)(F)F)n2c1CCCC2 ZINC000877248422 686343386 /nfs/dbraw/zinc/34/33/86/686343386.db2.gz MFBJCQJOPGTEBU-VIFPVBQESA-N 1 0 350.772 2.324 20 30 FEEDRO N#Cc1cc(NC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)c(F)cc1F ZINC000880715334 687077943 /nfs/dbraw/zinc/07/79/43/687077943.db2.gz BJLHHGZPOCSONV-GFCCVEGCSA-N 1 0 350.369 2.022 20 30 FEEDRO C=CCNc1ncc(C(=O)N2CCC[C@@H]([NH2+]C3CCOCC3)C2)s1 ZINC000881473080 687136723 /nfs/dbraw/zinc/13/67/23/687136723.db2.gz OUQSFYIVADSXMB-CQSZACIVSA-N 1 0 350.488 2.114 20 30 FEEDRO CC[N@@H+]1CCN(C(=O)Nc2ccc(Br)c(C#N)n2)C[C@H]1C ZINC000883098918 687564471 /nfs/dbraw/zinc/56/44/71/687564471.db2.gz CWCKBDCODUYTTP-SNVBAGLBSA-N 1 0 352.236 2.274 20 30 FEEDRO C=CCC[C@@H]([NH2+]C1CCN(S(=O)(=O)C(F)(F)F)CC1)[C@@H]1CCCO1 ZINC000883197853 687586376 /nfs/dbraw/zinc/58/63/76/687586376.db2.gz UXPZMHHERDHSKZ-KGLIPLIRSA-N 1 0 370.437 2.404 20 30 FEEDRO C=CCC[C@H]([NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1)[C@@H]1Cc2ccccc2O1 ZINC000883207937 687588005 /nfs/dbraw/zinc/58/80/05/687588005.db2.gz VVTCAPPATHKSDH-IEZWGBDMSA-N 1 0 364.511 2.196 20 30 FEEDRO C=CCOCC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1[C@@H]1CCOC1 ZINC000883215996 687589123 /nfs/dbraw/zinc/58/91/23/687589123.db2.gz JQHUKXCELVDPTF-IXDOHACOSA-N 1 0 354.491 2.441 20 30 FEEDRO N#C[C@H]1C[NH2+]CC12CC(C(=O)NCc1ccc(Br)c(F)c1)C2 ZINC000884108474 687791161 /nfs/dbraw/zinc/79/11/61/687791161.db2.gz CJZJITBWBOMUQF-BGMSHATGSA-N 1 0 366.234 2.344 20 30 FEEDRO CCNC(=O)c1cc(Cl)ccc1NC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884121382 687794489 /nfs/dbraw/zinc/79/44/89/687794489.db2.gz NJJWLVPUTLMLTG-BJCXPLBRSA-N 1 0 360.845 2.168 20 30 FEEDRO N#C[C@H]1C[NH2+]CC12CC(C(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1)C2 ZINC000884145183 687799746 /nfs/dbraw/zinc/79/97/46/687799746.db2.gz DUMKBSPNKJDJDI-YZRBJQDESA-N 1 0 369.309 2.469 20 30 FEEDRO CN(Cc1nc(C(F)(F)F)cs1)C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884164651 687805374 /nfs/dbraw/zinc/80/53/74/687805374.db2.gz MTDJPTPVJKCMCY-XIRUVYRFSA-N 1 0 358.389 2.260 20 30 FEEDRO N#C[C@@H]1C[NH2+]CC12CC(C(=O)N1CCN(c3ccc(Cl)cc3)CC1)C2 ZINC000884185194 687810440 /nfs/dbraw/zinc/81/04/40/687810440.db2.gz NEHDMDWTZIZMQF-XAUUPUKJSA-N 1 0 358.873 2.128 20 30 FEEDRO N#C[C@H]1C[NH2+]CC12CC(C(=O)NCc1ccsc1Br)C2 ZINC000884313119 687844990 /nfs/dbraw/zinc/84/49/90/687844990.db2.gz WSOAXOUEKPCCHE-CVZZAPKMSA-N 1 0 354.273 2.266 20 30 FEEDRO C[C@@H](c1ccsc1)N1CCN(C(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)CC1 ZINC000884320950 687847639 /nfs/dbraw/zinc/84/76/39/687847639.db2.gz BGJSBNHCLFKLHO-WAZRQNRBSA-N 1 0 358.511 2.093 20 30 FEEDRO CN(Cc1ccc(Br)o1)C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884379536 687859252 /nfs/dbraw/zinc/85/92/52/687859252.db2.gz AYRLKMQLNPOGBF-LOIXOFCESA-N 1 0 352.232 2.140 20 30 FEEDRO N#C[C@H]1C[NH2+]CC12CC(C(=O)NCc1cc(F)ccc1OC(F)F)C2 ZINC000884416684 687867157 /nfs/dbraw/zinc/86/71/57/687867157.db2.gz JWJNEFIBJXXVFX-JKGQDXBKSA-N 1 0 353.344 2.183 20 30 FEEDRO CC(C)(CNN=C1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2)S(C)(=O)=O ZINC000884451043 687873519 /nfs/dbraw/zinc/87/35/19/687873519.db2.gz AWUAFKHRQNSTOT-WMZOPIPTSA-N 1 0 363.527 2.440 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)N1C[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC000884837263 687945211 /nfs/dbraw/zinc/94/52/11/687945211.db2.gz WQQKPWOPVOCCRA-JKSUJKDBSA-N 1 0 351.491 2.210 20 30 FEEDRO C#CCN(C(=O)CNC(=O)Nc1cccc(Cl)c1)C1CC[NH+](C)CC1 ZINC000886574392 688278334 /nfs/dbraw/zinc/27/83/34/688278334.db2.gz DGHOSOPEPYSCLF-UHFFFAOYSA-N 1 0 362.861 2.018 20 30 FEEDRO N#CCCc1ccc(S(=O)(=O)NCC[C@H]([NH3+])Cc2ccccc2)cc1 ZINC000886889437 688333841 /nfs/dbraw/zinc/33/38/41/688333841.db2.gz VFOPEAOOLNOFHT-SFHVURJKSA-N 1 0 357.479 2.381 20 30 FEEDRO COC[C@H]([NH2+]CC(=O)Nc1sc(C)c(C)c1C#N)[C@@H]1CCCOC1 ZINC000886913657 688340109 /nfs/dbraw/zinc/34/01/09/688340109.db2.gz HOILGGRZBKXCHQ-HIFRSBDPSA-N 1 0 351.472 2.206 20 30 FEEDRO CCN(C(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N)[C@H]1CC[NH2+]C1 ZINC000886997237 688352729 /nfs/dbraw/zinc/35/27/29/688352729.db2.gz JOQWQNUJLYHZAQ-KGLIPLIRSA-N 1 0 360.483 2.230 20 30 FEEDRO N#C[C@@H](c1cccs1)N1CCN(C(=O)C[NH2+]C2(C3CC3)CCC2)CC1 ZINC000887147695 688371189 /nfs/dbraw/zinc/37/11/89/688371189.db2.gz YGPAPDNIOKSIEP-INIZCTEOSA-N 1 0 358.511 2.379 20 30 FEEDRO N#Cc1sc(NC(=O)N2CCC([NH2+]C3CCOCC3)CC2)nc1Cl ZINC000888429916 688611393 /nfs/dbraw/zinc/61/13/93/688611393.db2.gz HIWRDNUFMVDKMI-UHFFFAOYSA-N 1 0 369.878 2.433 20 30 FEEDRO N#Cc1cc(N2CC[NH+](CCCCCO)CC2)ncc1Br ZINC000894965698 689630949 /nfs/dbraw/zinc/63/09/49/689630949.db2.gz JJINBGSILSEEHD-UHFFFAOYSA-N 1 0 353.264 2.000 20 30 FEEDRO N#Cc1c(Br)cccc1N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000897220608 689990102 /nfs/dbraw/zinc/99/01/02/689990102.db2.gz CCHMAMXAQPPWDW-HZPDHXFCSA-N 1 0 350.260 2.356 20 30 FEEDRO CCOC(=O)C1([C@@H](C)[NH2+][C@H](C)CC2(C#N)CCOCC2)CCOCC1 ZINC000897740576 690073336 /nfs/dbraw/zinc/07/33/36/690073336.db2.gz BTTROORYUITXDL-HZPDHXFCSA-N 1 0 352.475 2.423 20 30 FEEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H]2CCS(=O)(=O)C3(CC(C(=O)OC)C3)C2)C1 ZINC000898486659 690191338 /nfs/dbraw/zinc/19/13/38/690191338.db2.gz FHTCGSVYGNQYIW-YOUGENKZSA-N 1 0 355.500 2.220 20 30 FEEDRO N#Cc1ccc(SCC(=O)NC2CC[NH+](C3CCOCC3)CC2)cc1 ZINC000898630376 690219595 /nfs/dbraw/zinc/21/95/95/690219595.db2.gz DEIQDERHUHNMOU-UHFFFAOYSA-N 1 0 359.495 2.410 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)Nc1cc(S(=O)(=O)N(C)C)cc(C)c1C ZINC000900026544 690464272 /nfs/dbraw/zinc/46/42/72/690464272.db2.gz MVJAWFVVLDZKMH-UHFFFAOYSA-N 1 0 353.488 2.000 20 30 FEEDRO C[C@@H]([NH3+])[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)c(C#N)c2)C1 ZINC000903487241 690899350 /nfs/dbraw/zinc/89/93/50/690899350.db2.gz UQLRNAUFRLCZBK-GHMZBOCLSA-N 1 0 372.288 2.069 20 30 FEEDRO N#CCCc1ccc(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C2)cc1 ZINC000903581692 690929654 /nfs/dbraw/zinc/92/96/54/690929654.db2.gz SQHGIVALLNAKTA-KGLIPLIRSA-N 1 0 361.389 2.043 20 30 FEEDRO Cn1cc(-c2noc(C3CC4(C3)C[NH2+]C[C@@H]4C#N)n2)c(C(F)(F)F)n1 ZINC000904121288 691004994 /nfs/dbraw/zinc/00/49/94/691004994.db2.gz LNMVJJAVMZRHHI-PUUHTONNSA-N 1 0 352.320 2.096 20 30 FEEDRO C#CCCC[NH2+]C[C@@H](O)c1ccc2c(c1)CN(C(=O)C(F)(F)F)CC2 ZINC000905138185 691072706 /nfs/dbraw/zinc/07/27/06/691072706.db2.gz WXKFDGPKCCBFPC-MRXNPFEDSA-N 1 0 354.372 2.170 20 30 FEEDRO CCC1([NH+]2CCCCC2)CCN(S(=O)(=O)c2ccc(C#N)cn2)CC1 ZINC000907390636 691469669 /nfs/dbraw/zinc/46/96/69/691469669.db2.gz UOZMVPSIPIRNFH-UHFFFAOYSA-N 1 0 362.499 2.372 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)NC[C@@H](CO)Cc1cccc(Br)c1 ZINC000907739806 691551028 /nfs/dbraw/zinc/55/10/28/691551028.db2.gz XBUIMHGQFOSMHO-HNNXBMFYSA-N 1 0 369.303 2.224 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000908436333 691678490 /nfs/dbraw/zinc/67/84/90/691678490.db2.gz PPRDEFATQCBSOF-CVEARBPZSA-N 1 0 351.491 2.141 20 30 FEEDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncnc(Cl)c1C#N)C2 ZINC001164807945 720087240 /nfs/dbraw/zinc/08/72/40/720087240.db2.gz GPUSQBUDROKSNE-KSSFIOAISA-N 1 0 361.877 2.186 20 30 FEEDRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nc(Cl)c(F)cc4C#N)C[C@H]3C2)cn1 ZINC001164771668 721075139 /nfs/dbraw/zinc/07/51/39/721075139.db2.gz SSDBGVLUXBXRFE-UKRRQHHQSA-N 1 0 374.851 2.438 20 30 FEEDRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ncc(C#N)cc4Cl)C[C@H]3C2)cn1 ZINC001164765803 721081053 /nfs/dbraw/zinc/08/10/53/721081053.db2.gz JUTQTOJCEBBVSC-JKSUJKDBSA-N 1 0 356.861 2.298 20 30 FEEDRO Cc1cnc(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)c(C#N)c1 ZINC001164887176 721387102 /nfs/dbraw/zinc/38/71/02/721387102.db2.gz HHGRTRHEPGNZPW-CTNGQTDRSA-N 1 0 369.513 2.027 20 30 FEEDRO N#CCc1cncc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164903035 721549060 /nfs/dbraw/zinc/54/90/60/721549060.db2.gz BVLPVOLUVBLLDF-FUHWJXTLSA-N 1 0 353.401 2.024 20 30 FEEDRO N#Cc1cncc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1 ZINC001164903770 721691711 /nfs/dbraw/zinc/69/17/11/721691711.db2.gz CGSPZLIJFKAOMN-GOSISDBHSA-N 1 0 370.407 2.481 20 30 FEEDRO CCC[NH+]1CCN(C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CC1 ZINC000513112652 810778352 /nfs/dbraw/zinc/77/83/52/810778352.db2.gz CSHKWIBNHYYBLI-UHFFFAOYSA-N 1 0 356.405 2.443 20 30 FEEDRO N#Cc1ccc(NCC(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)nc1 ZINC000497879193 883814102 /nfs/dbraw/zinc/81/41/02/883814102.db2.gz CFDDLDXMTUHFHY-LJQANCHMSA-N 1 0 363.465 2.046 20 30 FEEDRO COc1c(C)cnc(Cn2cnc(NC(=O)c3ccc(C#N)o3)n2)c1C ZINC000509238936 884173956 /nfs/dbraw/zinc/17/39/56/884173956.db2.gz ZIRQLAHVEQKVAU-UHFFFAOYSA-N 1 0 352.354 2.064 20 30 FEEDRO C[C@@H]1CC[N@H+](C)CCN1C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 ZINC000498759723 885703747 /nfs/dbraw/zinc/70/37/47/885703747.db2.gz LNCPNSVCUGNYKI-CYBMUJFWSA-N 1 0 356.405 2.441 20 30 FEEDRO N#Cc1ccc(NC(=O)CC[NH+]2CCN(c3ccc(O)cc3)CC2)cc1 ZINC000022535432 539695949 /nfs/dbraw/zinc/69/59/49/539695949.db2.gz CCRNYLHDDSTKST-UHFFFAOYSA-N 1 0 350.422 2.415 20 30 FEEDRO Cc1cccc(N2CC[NH+](C[C@H](O)COc3ccc(C#N)cc3)CC2)c1 ZINC000027386115 539806411 /nfs/dbraw/zinc/80/64/11/539806411.db2.gz FCIBJRHSISUVGN-FQEVSTJZSA-N 1 0 351.450 2.429 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)NCC2([NH+]3CCSCC3)CCCC2)cc1 ZINC000030431847 539881534 /nfs/dbraw/zinc/88/15/34/539881534.db2.gz ZLSXVOWHXSUSRK-UHFFFAOYSA-N 1 0 365.524 2.198 20 30 FEEDRO C[C@@H](NC(=O)C(=O)Nc1cccc(C[NH+](C)C)c1)c1ccc(C#N)cc1 ZINC000042019823 540046145 /nfs/dbraw/zinc/04/61/45/540046145.db2.gz DKFLCCRJHYZLCE-CQSZACIVSA-N 1 0 350.422 2.436 20 30 FEEDRO COC1CC[NH+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC1 ZINC000042567267 540066811 /nfs/dbraw/zinc/06/68/11/540066811.db2.gz OHUPLKNPLQLHLM-UHFFFAOYSA-N 1 0 354.372 2.284 20 30 FEEDRO C=CCc1ccc(OC[C@@H](O)C[NH+]2CCC3(CC2)OCCO3)c(OC)c1 ZINC000047496712 540314215 /nfs/dbraw/zinc/31/42/15/540314215.db2.gz PGKIRMOAMYRHTA-KRWDZBQOSA-N 1 0 363.454 2.002 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1cccnc1N1CCOCC1)C(C)C ZINC000047852061 540330481 /nfs/dbraw/zinc/33/04/81/540330481.db2.gz YWVHBWVAHKJIDW-IBGZPJMESA-N 1 0 372.513 2.347 20 30 FEEDRO COc1ccc(C#N)cc1NC(=O)C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000050165990 540401784 /nfs/dbraw/zinc/40/17/84/540401784.db2.gz URISWRUTFALONS-HNNXBMFYSA-N 1 0 372.469 2.276 20 30 FEEDRO C=CCc1ccc(OC[C@H](O)CN2CC[NH+](CC3CC3)CC2)c(OC)c1 ZINC000051426647 540434042 /nfs/dbraw/zinc/43/40/42/540434042.db2.gz ZEVDQQKVQBJYPG-LJQANCHMSA-N 1 0 360.498 2.191 20 30 FEEDRO CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCC(C(=O)Nc2ncccc2C)CC1 ZINC000054209010 540575382 /nfs/dbraw/zinc/57/53/82/540575382.db2.gz FCVAYIJQSITYLO-OAHLLOKOSA-N 1 0 371.485 2.049 20 30 FEEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000054874276 540615447 /nfs/dbraw/zinc/61/54/47/540615447.db2.gz CEFHFSPTQSCPAM-NVXWUHKLSA-N 1 0 370.453 2.027 20 30 FEEDRO C[NH+](C)CCN(Cc1ccccc1F)S(=O)(=O)c1cccc(C#N)c1 ZINC000055269144 540642175 /nfs/dbraw/zinc/64/21/75/540642175.db2.gz DPWKLSGGTONPRU-UHFFFAOYSA-N 1 0 361.442 2.450 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N[C@@H](c2nccn2C)c2cccc(F)c2)CC1 ZINC000057154061 540773599 /nfs/dbraw/zinc/77/35/99/540773599.db2.gz RRLWWAXUIUQFDU-GOSISDBHSA-N 1 0 354.429 2.110 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N2CCC(NC(=O)c3ccccc3C)CC2)CC1 ZINC000057171542 540775572 /nfs/dbraw/zinc/77/55/72/540775572.db2.gz LFLQBAYDDMPOJE-UHFFFAOYSA-N 1 0 367.493 2.061 20 30 FEEDRO CCCCC[N@H+](CC(=O)N1CCN(c2oc(C)nc2C#N)CC1)C(C)C ZINC000059350233 540864222 /nfs/dbraw/zinc/86/42/22/540864222.db2.gz NNKVOTFCHNYIEU-UHFFFAOYSA-N 1 0 361.490 2.404 20 30 FEEDRO CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCC(C(=O)NC2CCCCC2)CC1 ZINC000065964263 541275315 /nfs/dbraw/zinc/27/53/15/541275315.db2.gz MBKMECGDUNOKMY-MRXNPFEDSA-N 1 0 362.518 2.155 20 30 FEEDRO C=CCCO[C@@H](C)C(=O)NCCC[N@@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000066313959 541300479 /nfs/dbraw/zinc/30/04/79/541300479.db2.gz UNXNJMHUZZJFCB-AZUAARDMSA-N 1 0 359.514 2.463 20 30 FEEDRO CCN([C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)S(=O)(=O)N(C)CCC#N ZINC000066912689 541392261 /nfs/dbraw/zinc/39/22/61/541392261.db2.gz DWCYZPOLLTUUDI-WMZOPIPTSA-N 1 0 364.515 2.234 20 30 FEEDRO C[NH+]1CCN(c2ncccc2CNC(=O)Nc2ccc(CC#N)cc2)CC1 ZINC000066963176 541401699 /nfs/dbraw/zinc/40/16/99/541401699.db2.gz OYFXAQIWJPYXHU-UHFFFAOYSA-N 1 0 364.453 2.221 20 30 FEEDRO CC(C)[NH+](CCNC(=O)NC1CCN(c2ccc(C#N)cn2)CC1)C(C)C ZINC000067090797 541417163 /nfs/dbraw/zinc/41/71/63/541417163.db2.gz GXCMCKAXPRNCKN-UHFFFAOYSA-N 1 0 372.517 2.340 20 30 FEEDRO CCOc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000067763880 541509775 /nfs/dbraw/zinc/50/97/75/541509775.db2.gz NMCOCKJTYOFVII-OAHLLOKOSA-N 1 0 372.469 2.132 20 30 FEEDRO Cc1ccc(C#N)cc1NC(=O)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000069607024 541699686 /nfs/dbraw/zinc/69/96/86/541699686.db2.gz YLYUPKLQZPXYHZ-LJQANCHMSA-N 1 0 364.449 2.407 20 30 FEEDRO N#Cc1ccc(NC(=O)CC[NH+]2CCC3(CNC(=O)C3)CC2)cc1Cl ZINC000072697246 541853843 /nfs/dbraw/zinc/85/38/43/541853843.db2.gz NBBVJXVNVXGHAI-UHFFFAOYSA-N 1 0 360.845 2.142 20 30 FEEDRO N#Cc1c2c(sc1NC(=O)CC[NH+]1CCC3(CC1)OCCO3)CCC2 ZINC000046511828 205136894 /nfs/dbraw/zinc/13/68/94/205136894.db2.gz LPOLXQAGVTYEHZ-UHFFFAOYSA-N 1 0 361.467 2.276 20 30 FEEDRO C[C@H]1CCN(CC(=O)N(CCC#N)CCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000072895661 541889596 /nfs/dbraw/zinc/88/95/96/541889596.db2.gz OLSFSCFXEIWFCH-IBGZPJMESA-N 1 0 367.497 2.239 20 30 FEEDRO COc1cc(C#N)ccc1OCC(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000073067213 541914945 /nfs/dbraw/zinc/91/49/45/541914945.db2.gz XORLVJYFNQCMLP-SFHVURJKSA-N 1 0 367.449 2.235 20 30 FEEDRO COc1cc(C#N)ccc1OCC(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000073067215 541915119 /nfs/dbraw/zinc/91/51/19/541915119.db2.gz XORLVJYFNQCMLP-GOSISDBHSA-N 1 0 367.449 2.235 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)c2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000073436930 541954113 /nfs/dbraw/zinc/95/41/13/541954113.db2.gz QDEACSZEPCCQSK-UHFFFAOYSA-N 1 0 357.498 2.418 20 30 FEEDRO C[C@H](NC(=O)N(C)CC[N@H+](C)C1CCN(C)CC1)c1cccc(C#N)c1 ZINC000074917542 542136126 /nfs/dbraw/zinc/13/61/26/542136126.db2.gz OLZPRGCQKAKKKK-INIZCTEOSA-N 1 0 357.502 2.287 20 30 FEEDRO N#Cc1ccccc1NC(=O)CC[N@H+]1CCCN(CC(F)(F)F)CC1 ZINC000076399443 542274329 /nfs/dbraw/zinc/27/43/29/542274329.db2.gz YMSSZBCOHSOXAO-UHFFFAOYSA-N 1 0 354.376 2.457 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cccc(OCCCC#N)c2)CC1 ZINC000076526143 542288957 /nfs/dbraw/zinc/28/89/57/542288957.db2.gz SWKBIGKWYXWSJW-UHFFFAOYSA-N 1 0 370.453 2.074 20 30 FEEDRO C=CCCC[N@@H+](C)CC(=O)NCC(=O)Nc1ccccc1Br ZINC000076734061 542318600 /nfs/dbraw/zinc/31/86/00/542318600.db2.gz VMZOPJUSHABGSB-UHFFFAOYSA-N 1 0 368.275 2.402 20 30 FEEDRO C=CCCC[N@@H+](C)CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000076736259 542319672 /nfs/dbraw/zinc/31/96/72/542319672.db2.gz HEENLEMPTGLWIF-UHFFFAOYSA-N 1 0 373.906 2.427 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N(CC)Cc2ccc(C(=O)N(C)C)cc2)CC1 ZINC000077311352 542364814 /nfs/dbraw/zinc/36/48/14/542364814.db2.gz IZEZFOOLSDCWGR-UHFFFAOYSA-N 1 0 355.482 2.082 20 30 FEEDRO C[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2cccc(C#Cc3ccccc3)c2)C1 ZINC000077817565 542423570 /nfs/dbraw/zinc/42/35/70/542423570.db2.gz YEDLSKYABGSNBE-IBGZPJMESA-N 1 0 361.445 2.093 20 30 FEEDRO C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000078963696 542490546 /nfs/dbraw/zinc/49/05/46/542490546.db2.gz HEHLNNUCZLZYGK-JKSUJKDBSA-N 1 0 357.454 2.037 20 30 FEEDRO C[C@@H](CNC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1)C[NH+]1CCCC1 ZINC000079633792 542533127 /nfs/dbraw/zinc/53/31/27/542533127.db2.gz CMKILCGYADACCH-SFHVURJKSA-N 1 0 369.513 2.117 20 30 FEEDRO CN1CC[NH+](C[C@H]2CCCN(C(=O)c3cccc(SCC#N)c3)C2)CC1 ZINC000079541267 542525142 /nfs/dbraw/zinc/52/51/42/542525142.db2.gz YSKJVKURJVNFNH-QGZVFWFLSA-N 1 0 372.538 2.402 20 30 FEEDRO N#CCC[N@@H+](CCC(=O)Nc1ccc(N2CCOCC2)cc1)CC1CC1 ZINC000081044908 542627782 /nfs/dbraw/zinc/62/77/82/542627782.db2.gz ITHOULVBEUKXSW-UHFFFAOYSA-N 1 0 356.470 2.477 20 30 FEEDRO C[C@@H]1CCC[C@](C#N)(NC(=O)CC[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000081410578 542655604 /nfs/dbraw/zinc/65/56/04/542655604.db2.gz YNNADFBKPFAUIA-XLIONFOSSA-N 1 0 355.486 2.182 20 30 FEEDRO CN(C)CC[NH+]1CCC(CNC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)CC1 ZINC000081725383 542673586 /nfs/dbraw/zinc/67/35/86/542673586.db2.gz LVNOKJPVHNEUPS-VQTJNVASSA-N 1 0 354.498 2.052 20 30 FEEDRO COC(=O)[C@@H](NCC1([NH+]2CCCC2)CCOCC1)c1cccc(C#N)c1 ZINC000083031355 542690554 /nfs/dbraw/zinc/69/05/54/542690554.db2.gz XPKUCEPDVAKJES-SFHVURJKSA-N 1 0 357.454 2.007 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1ccc(C(C)(C)C(N)=O)cc1 ZINC000086298251 542735747 /nfs/dbraw/zinc/73/57/47/542735747.db2.gz KWJXLDBBOBLETF-UHFFFAOYSA-N 1 0 359.474 2.149 20 30 FEEDRO C[NH+]=C(NCc1cnc(N(C)C)n1C)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000087497161 542746354 /nfs/dbraw/zinc/74/63/54/542746354.db2.gz LGCJMJPQBDDLNO-NEPJUHHUSA-N 1 0 360.428 2.272 20 30 FEEDRO CCOc1ccc(N(CCC#N)C(=O)C[NH2+]C2(C(N)=O)CCCCC2)cc1 ZINC000088545169 542753160 /nfs/dbraw/zinc/75/31/60/542753160.db2.gz UPDCQVSDEQTZKD-UHFFFAOYSA-N 1 0 372.469 2.110 20 30 FEEDRO C[NH+](C)CCCOC1CCN(C(=O)Cc2cccc(OCC#N)c2)CC1 ZINC000089847849 542771481 /nfs/dbraw/zinc/77/14/81/542771481.db2.gz UDVOMYJORFLDGK-UHFFFAOYSA-N 1 0 359.470 2.091 20 30 FEEDRO CC(C)n1cc(C#N)c(NC(=O)C(=O)NCCCC[N@@H+]2CCCC[C@H]2C)n1 ZINC000091194208 542797358 /nfs/dbraw/zinc/79/73/58/542797358.db2.gz YLQBJBYIFHWLII-OAHLLOKOSA-N 1 0 374.489 2.045 20 30 FEEDRO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CCCc3ccccc3C2)CC1 ZINC000091558899 542812624 /nfs/dbraw/zinc/81/26/24/542812624.db2.gz GJIFJYXRKUXMFM-HXUWFJFHSA-N 1 0 354.498 2.127 20 30 FEEDRO CN(C)S(=O)(=O)c1ccccc1CNC(=[NH2+])NC1CCCCCC1 ZINC000092277066 542853287 /nfs/dbraw/zinc/85/32/87/542853287.db2.gz OFLIFIZFZGHSIM-UHFFFAOYSA-N 1 0 352.504 2.064 20 30 FEEDRO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CC[C@H](c3ccccc3)C2)CC1 ZINC000092618200 542875732 /nfs/dbraw/zinc/87/57/32/542875732.db2.gz MWUQDBPQAXSSFI-VQTJNVASSA-N 1 0 354.498 2.168 20 30 FEEDRO COc1ccc(C(=O)C2CC[NH+](CCC(=O)N(C)CCC#N)CC2)cc1 ZINC000092792920 542887591 /nfs/dbraw/zinc/88/75/91/542887591.db2.gz ROOZVBHLOAWXOG-UHFFFAOYSA-N 1 0 357.454 2.352 20 30 FEEDRO CC[C@@H](C)[N@H+](CCC(=O)N(C)CCC#N)Cc1nc2ccccc2c(=O)[nH]1 ZINC000092804455 542887988 /nfs/dbraw/zinc/88/79/88/542887988.db2.gz GKAHAIIHRGVHSD-OAHLLOKOSA-N 1 0 369.469 2.286 20 30 FEEDRO CN(CCC#N)C(=O)CC[NH+]1CCC(c2nc(C(F)(F)F)c[nH]2)CC1 ZINC000092797782 542888420 /nfs/dbraw/zinc/88/84/20/542888420.db2.gz QQJFKTQZVBPVDZ-UHFFFAOYSA-N 1 0 357.380 2.370 20 30 FEEDRO CN(CC[NH+]1CCN(c2ccccc2)CC1)Cc1cnc2ccc(C#N)cn12 ZINC000093563528 542934973 /nfs/dbraw/zinc/93/49/73/542934973.db2.gz IHNSQPPZNVFPRM-UHFFFAOYSA-N 1 0 374.492 2.460 20 30 FEEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CC1(c2ccccc2C)CCOCC1 ZINC000098123358 543023033 /nfs/dbraw/zinc/02/30/33/543023033.db2.gz CKMAJPKFBFYTPW-MRXNPFEDSA-N 1 0 359.470 2.033 20 30 FEEDRO C[NH+](C)C[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000103156427 543096011 /nfs/dbraw/zinc/09/60/11/543096011.db2.gz DFGWZYNINCMUSV-INIZCTEOSA-N 1 0 361.442 2.149 20 30 FEEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2C[C@H](C(N)=O)CC[C@@H]2C)c1 ZINC000103284600 543101432 /nfs/dbraw/zinc/10/14/32/543101432.db2.gz HSHXCCXHNRLVKK-DLBZAZTESA-N 1 0 356.470 2.136 20 30 FEEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000103632367 543116260 /nfs/dbraw/zinc/11/62/60/543116260.db2.gz RRWLBEWHHKBVSC-UHFFFAOYSA-N 1 0 372.469 2.084 20 30 FEEDRO COc1ccc([C@@H](CNS(=O)(=O)CCCCC#N)[NH+]2CCCC2)cc1 ZINC000104106630 543123744 /nfs/dbraw/zinc/12/37/44/543123744.db2.gz IUDTWTNWJXGJEU-GOSISDBHSA-N 1 0 365.499 2.445 20 30 FEEDRO CCOC(=O)N1CCC(NC(=[NH2+])NCc2ccc(OC(C)C)cc2)CC1 ZINC000104162000 543125486 /nfs/dbraw/zinc/12/54/86/543125486.db2.gz LNXBEYDSKVXGMW-UHFFFAOYSA-N 1 0 362.474 2.499 20 30 FEEDRO CC(C)(C#N)c1ccc(NC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000104997005 543154031 /nfs/dbraw/zinc/15/40/31/543154031.db2.gz DSVRWUQSRSMURF-OAHLLOKOSA-N 1 0 371.485 2.197 20 30 FEEDRO C=CCN1C(=O)c2ccc(C(=O)NC3CC[NH+](CC(=C)C)CC3)cc2C1=O ZINC000106038888 543185990 /nfs/dbraw/zinc/18/59/90/543185990.db2.gz AEZNEMWWVWEDTD-UHFFFAOYSA-N 1 0 367.449 2.239 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000106035589 543186183 /nfs/dbraw/zinc/18/61/83/543186183.db2.gz PPIKOGRTHNPHSJ-UHFFFAOYSA-N 1 0 351.378 2.269 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2Cc3ccccc3CN2C(C)=O)CC1 ZINC000106037109 543186358 /nfs/dbraw/zinc/18/63/58/543186358.db2.gz AYKKEZLASFVLII-FQEVSTJZSA-N 1 0 355.482 2.117 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)c2ccc(=O)n(-c3ccc(F)cc3)n2)CC1 ZINC000106037739 543186417 /nfs/dbraw/zinc/18/64/17/543186417.db2.gz XWHLWANYRIUAIJ-UHFFFAOYSA-N 1 0 370.428 2.142 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)COc2ccc3ccc(=O)oc3c2)CC1 ZINC000106039764 543186933 /nfs/dbraw/zinc/18/69/33/543186933.db2.gz LETCOCQIGHDZGJ-UHFFFAOYSA-N 1 0 356.422 2.329 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C[C@@H](NC(C)=O)c2ccc(OC)cc2)CC1 ZINC000106039075 543187026 /nfs/dbraw/zinc/18/70/26/543187026.db2.gz MXLXYUPAEBGHFN-HXUWFJFHSA-N 1 0 373.497 2.419 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cccc(OCC(=O)NCC)c2)CC1 ZINC000106319463 543222884 /nfs/dbraw/zinc/22/28/84/543222884.db2.gz MJPDVIITGVWAFE-UHFFFAOYSA-N 1 0 374.485 2.364 20 30 FEEDRO CC1CC[NH+]([C@@H](CNC(=O)N2CCO[C@@H](C#N)C2)c2cccs2)CC1 ZINC000106328504 543223614 /nfs/dbraw/zinc/22/36/14/543223614.db2.gz SDCDMJRSLCLGNC-HOTGVXAUSA-N 1 0 362.499 2.455 20 30 FEEDRO C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000106868961 543251349 /nfs/dbraw/zinc/25/13/49/543251349.db2.gz IFFKYZRRNRTAFW-BBRMVZONSA-N 1 0 358.442 2.484 20 30 FEEDRO CC(C)[N@@H+](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)C[C@@H](C)O ZINC000107041966 543260142 /nfs/dbraw/zinc/26/01/42/543260142.db2.gz CKRHKAIIDZWFNI-CQSZACIVSA-N 1 0 356.388 2.264 20 30 FEEDRO C=C(C)COc1cccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)c1 ZINC000108617688 543298229 /nfs/dbraw/zinc/29/82/29/543298229.db2.gz UJYARQCMLKFGKS-QGZVFWFLSA-N 1 0 357.454 2.181 20 30 FEEDRO C[C@@H]([NH2+]C(C)(C)CNS(=O)(=O)c1ccc(C#N)nc1)c1ccccc1 ZINC000109343001 543322453 /nfs/dbraw/zinc/32/24/53/543322453.db2.gz WKCDQTLFYPMJRH-CQSZACIVSA-N 1 0 358.467 2.361 20 30 FEEDRO N#CCOc1ccc(CC(=O)NCC2([NH+]3CCCCC3)CCOCC2)cc1 ZINC000111102739 543381757 /nfs/dbraw/zinc/38/17/57/543381757.db2.gz SJPSXNJXZYAIMH-UHFFFAOYSA-N 1 0 371.481 2.283 20 30 FEEDRO O=C(C[N@H+]1CCCC[C@@H]1CCO)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000111240219 543388137 /nfs/dbraw/zinc/38/81/37/543388137.db2.gz LLEMQARISGHDAA-QGZVFWFLSA-N 1 0 368.399 2.410 20 30 FEEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000111234092 543388187 /nfs/dbraw/zinc/38/81/87/543388187.db2.gz DBIAWPNKEWSRLS-CYBMUJFWSA-N 1 0 355.442 2.143 20 30 FEEDRO C[C@H]1C[NH+](Cc2ccc(CNS(=O)(=O)CCCC#N)cc2)C[C@H](C)O1 ZINC000111328150 543397208 /nfs/dbraw/zinc/39/72/08/543397208.db2.gz IFBDEAOLSKIUGC-HOTGVXAUSA-N 1 0 365.499 2.019 20 30 FEEDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNS(=O)(=O)c2ccc(C#N)nc2)C1 ZINC000111350363 543398900 /nfs/dbraw/zinc/39/89/00/543398900.db2.gz CYGFGUCAJQCSGE-CQSZACIVSA-N 1 0 350.488 2.132 20 30 FEEDRO C=CCOc1ccccc1CNC(=O)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000111885953 543423172 /nfs/dbraw/zinc/42/31/72/543423172.db2.gz GBAMEQTXQCNUGB-SFHVURJKSA-N 1 0 361.486 2.143 20 30 FEEDRO COc1ccc(C2(C[NH2+][C@@H](C)C(=O)N(C)CCC#N)CCOCC2)cc1 ZINC000112535323 543450638 /nfs/dbraw/zinc/45/06/38/543450638.db2.gz WMYRXEGAVOGJTO-INIZCTEOSA-N 1 0 359.470 2.094 20 30 FEEDRO N#C[C@@H]1CN(C(=O)NCCCC[NH+]2CCCC2)CCN1Cc1ccccc1 ZINC000114587843 543524942 /nfs/dbraw/zinc/52/49/42/543524942.db2.gz LVKIJKBZFUSSIB-HXUWFJFHSA-N 1 0 369.513 2.282 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N[C@H](c2noc(C)n2)c2ccccc2F)CC1 ZINC000114649687 543527680 /nfs/dbraw/zinc/52/76/80/543527680.db2.gz DJLCMDVAZOCRAR-KRWDZBQOSA-N 1 0 356.401 2.068 20 30 FEEDRO C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CCC([N@H+](C)CCCO)CC1 ZINC000115547017 543573268 /nfs/dbraw/zinc/57/32/68/543573268.db2.gz RNSVAQSCHIHBHQ-GOSISDBHSA-N 1 0 372.513 2.100 20 30 FEEDRO CC(C)(C[NH2+][C@H](C(N)=O)c1ccc(C#N)cc1)c1ccc2c(c1)OCCO2 ZINC000115598696 543577898 /nfs/dbraw/zinc/57/78/98/543577898.db2.gz FVKRQUPVBWFIGO-IBGZPJMESA-N 1 0 365.433 2.423 20 30 FEEDRO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1cccc(OCCCC#N)c1 ZINC000118117815 543646396 /nfs/dbraw/zinc/64/63/96/543646396.db2.gz JWQDDVKBFXHEMS-HNNXBMFYSA-N 1 0 360.458 2.154 20 30 FEEDRO CC(C)(O)[C@H]1CCC[N@@H+]1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000119116002 543663846 /nfs/dbraw/zinc/66/38/46/543663846.db2.gz QOXJVJVBBKBQCZ-MRXNPFEDSA-N 1 0 368.399 2.408 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)[C@H]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000119358064 543666481 /nfs/dbraw/zinc/66/64/81/543666481.db2.gz AZLPILQEVNGECG-LBPRGKRZSA-N 1 0 371.407 2.227 20 30 FEEDRO C[C@H]1C[C@H](N(C)C(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)CC[N@@H+]1C ZINC000120458501 543680053 /nfs/dbraw/zinc/68/00/53/543680053.db2.gz YGASEBXMVBWUTR-WMLDXEAASA-N 1 0 356.470 2.367 20 30 FEEDRO CN(C)C(=O)c1ccc(CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)[nH]1 ZINC000122808924 543725020 /nfs/dbraw/zinc/72/50/20/543725020.db2.gz RQTZFYUTFUMRAV-UHFFFAOYSA-N 1 0 365.481 2.296 20 30 FEEDRO N#Cc1ccc2ncc(C[NH2+]Cc3ccccc3CN3CCOCC3)n2c1 ZINC000123184651 543747728 /nfs/dbraw/zinc/74/77/28/543747728.db2.gz LWUOLWFWLXUTFU-UHFFFAOYSA-N 1 0 361.449 2.328 20 30 FEEDRO CC[NH+](CC)CCn1ccc2cc(NC(=O)C(=O)N[C@@H](C)CC#N)ccc21 ZINC000123084393 543741384 /nfs/dbraw/zinc/74/13/84/543741384.db2.gz FPSBVYCVFOEXQU-HNNXBMFYSA-N 1 0 369.469 2.340 20 30 FEEDRO CC(C)Oc1ccc(NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C)cc1 ZINC000122129678 543703973 /nfs/dbraw/zinc/70/39/73/543703973.db2.gz QWKLHEMBCFNISR-UHFFFAOYSA-N 1 0 360.458 2.106 20 30 FEEDRO N#Cc1cc(NC(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)ccc1Cl ZINC000123283732 543752627 /nfs/dbraw/zinc/75/26/27/543752627.db2.gz IULXBPPYGGEMRX-ZDUSSCGKSA-N 1 0 360.845 2.094 20 30 FEEDRO N#Cc1ccc(CN2CCN(Cc3nc4ccccc4c(=O)[nH]3)CC2)s1 ZINC000123531893 543767825 /nfs/dbraw/zinc/76/78/25/543767825.db2.gz VMGNGQFFIBLOHR-UHFFFAOYSA-N 1 0 365.462 2.174 20 30 FEEDRO Cc1[nH]c(=O)c(C(=O)N(CCC#N)CCC[NH+](C)C)cc1Br ZINC000123531242 543768049 /nfs/dbraw/zinc/76/80/49/543768049.db2.gz YEXOLQVOJXHDKC-UHFFFAOYSA-N 1 0 369.263 2.166 20 30 FEEDRO CN(C(=O)c1ccc(C#N)nc1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000124595295 543831721 /nfs/dbraw/zinc/83/17/21/543831721.db2.gz YPJNHDLRPXOZQT-PMACEKPBSA-N 1 0 369.513 2.362 20 30 FEEDRO C[N@@H+]1CCC[C@@H]1CCN1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000124860442 543847014 /nfs/dbraw/zinc/84/70/14/543847014.db2.gz XYZPQDRMYQAQGE-OAHLLOKOSA-N 1 0 355.442 2.413 20 30 FEEDRO C[C@@](C#N)(NC(=O)CN1CCC(c2nc(C(F)(F)F)c[nH]2)CC1)C1CC1 ZINC000125651936 543894007 /nfs/dbraw/zinc/89/40/07/543894007.db2.gz ZTKSVNWKJCHCCK-INIZCTEOSA-N 1 0 369.391 2.416 20 30 FEEDRO CCCNC(=O)C1([NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)CCCCC1 ZINC000127134719 543974567 /nfs/dbraw/zinc/97/45/67/543974567.db2.gz IOFMEYYAOXPUPA-GOSISDBHSA-N 1 0 373.497 2.311 20 30 FEEDRO C[N@@H+]1CCC[C@H]2CN(S(=O)(=O)c3ccc(Cl)cc3C#N)CC[C@@H]21 ZINC000126880570 543961459 /nfs/dbraw/zinc/96/14/59/543961459.db2.gz ZHNXUOFSMDFREK-WFASDCNBSA-N 1 0 353.875 2.316 20 30 FEEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccccc1S(=O)(=O)N1CCN(C)CC1 ZINC000127777427 544013275 /nfs/dbraw/zinc/01/32/75/544013275.db2.gz UEFLGKSSYRJJKX-IAGOWNOFSA-N 1 0 365.543 2.313 20 30 FEEDRO N#Cc1ccc(NC(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)cc1Cl ZINC000127409758 543991403 /nfs/dbraw/zinc/99/14/03/543991403.db2.gz JAGIQRWETBXEPL-CYBMUJFWSA-N 1 0 360.845 2.094 20 30 FEEDRO C[C@H]1CCC[N@@H+]1C1CCN(S(=O)(=O)c2ccc(F)cc2C#N)CC1 ZINC000128641403 544064305 /nfs/dbraw/zinc/06/43/05/544064305.db2.gz DLIQSIPRFVSJKN-ZDUSSCGKSA-N 1 0 351.447 2.335 20 30 FEEDRO C=CCOc1cc(OC)ccc1C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000128686704 544066297 /nfs/dbraw/zinc/06/62/97/544066297.db2.gz PEVZLKOZGGQYHV-UHFFFAOYSA-N 1 0 360.454 2.197 20 30 FEEDRO CCN(CC)C(=O)CN1CCC[N@H+](Cc2ccc(O[C@@H](C)C#N)cc2)CC1 ZINC000129230154 544098608 /nfs/dbraw/zinc/09/86/08/544098608.db2.gz ZLNLMVTYYWYLBM-SFHVURJKSA-N 1 0 372.513 2.354 20 30 FEEDRO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCCN(CC(=O)N3CCCC3)CC2)cc1 ZINC000129290205 544103709 /nfs/dbraw/zinc/10/37/09/544103709.db2.gz GEHQIMGXCBUMGX-GOSISDBHSA-N 1 0 370.497 2.108 20 30 FEEDRO C[C@H]1C[C@H](NC(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)C[N@@H+]1C1CC1 ZINC000130509065 544153852 /nfs/dbraw/zinc/15/38/52/544153852.db2.gz DFBIPXYTBVWTFG-XKGZKEIXSA-N 1 0 367.497 2.031 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)Nc2ccc(OCC(=O)OC)c(Cl)c2)CC1 ZINC000132946219 544249473 /nfs/dbraw/zinc/24/94/73/544249473.db2.gz SGSDXZNYEKFDKF-UHFFFAOYSA-N 1 0 364.829 2.176 20 30 FEEDRO N#CCCn1cc(C[NH2+]C[C@]2(CCO)CCOC2)c(-c2ccccc2)n1 ZINC000134422352 544307317 /nfs/dbraw/zinc/30/73/17/544307317.db2.gz MRNSHSKLSCAMST-FQEVSTJZSA-N 1 0 354.454 2.342 20 30 FEEDRO N#CCCN(CCC#N)C(=O)C[N@H+]1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 ZINC000134791852 544321491 /nfs/dbraw/zinc/32/14/91/544321491.db2.gz QEPMONXCCHGHOW-MOPGFXCFSA-N 1 0 372.444 2.370 20 30 FEEDRO C=C(C)COCCNC(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000135030917 544331581 /nfs/dbraw/zinc/33/15/81/544331581.db2.gz HLVMZBVBPQJUHD-UHFFFAOYSA-N 1 0 361.486 2.035 20 30 FEEDRO N#Cc1ccccc1OCC(=O)NC1CC[NH+](CC2(O)CCCCC2)CC1 ZINC000135429171 544346506 /nfs/dbraw/zinc/34/65/06/544346506.db2.gz LJQDUPFPQUFRON-UHFFFAOYSA-N 1 0 371.481 2.213 20 30 FEEDRO C=CCc1cc(C(=O)NCCC[NH+]2CCC(O)CC2)cc(OC)c1OC ZINC000136136579 544367037 /nfs/dbraw/zinc/36/70/37/544367037.db2.gz JXFCQTJRAVBKAX-UHFFFAOYSA-N 1 0 362.470 2.009 20 30 FEEDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(S(=O)(=O)N(C)CCC#N)CC1 ZINC000152758670 544691553 /nfs/dbraw/zinc/69/15/53/544691553.db2.gz NXRYYZCYOFKXFC-MRXNPFEDSA-N 1 0 356.536 2.053 20 30 FEEDRO C[C@@H]([NH2+]CCCN1CCN(c2ncccn2)CC1)c1ccc(C#N)cc1 ZINC000181464238 327731900 /nfs/dbraw/zinc/73/19/00/327731900.db2.gz QBVNRXLUOQCLQT-QGZVFWFLSA-N 1 0 350.470 2.211 20 30 FEEDRO CCN(CCC[NH+](CC)CC)S(=O)(=O)c1ccc(C#N)cc1OC ZINC000188248507 328075572 /nfs/dbraw/zinc/07/55/72/328075572.db2.gz AWKGTLMTGRUAHC-UHFFFAOYSA-N 1 0 353.488 2.309 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCC[C@@H]1CCO ZINC000188422224 328086276 /nfs/dbraw/zinc/08/62/76/328086276.db2.gz DZHCBOYZZFKZDI-RTBURBONSA-N 1 0 358.486 2.183 20 30 FEEDRO Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)Nc2cccc(C#N)c2C)o1 ZINC000189373303 328143973 /nfs/dbraw/zinc/14/39/73/328143973.db2.gz VMFOUXVIWJMIEM-UHFFFAOYSA-N 1 0 368.437 2.297 20 30 FEEDRO C[NH+](C)CCCOc1cccc(NC(=O)C(=O)Nc2ccc(C#N)cc2)c1 ZINC000189774468 328167060 /nfs/dbraw/zinc/16/70/60/328167060.db2.gz ZBCZMNGDBVPDFV-UHFFFAOYSA-N 1 0 366.421 2.466 20 30 FEEDRO C[C@@H](C(=O)NC1CCCC1)N1CCN(Cc2ccc(C#N)c(F)c2)CC1 ZINC000191994351 328292441 /nfs/dbraw/zinc/29/24/41/328292441.db2.gz YJGZZDIPPMRPOZ-HNNXBMFYSA-N 1 0 358.461 2.262 20 30 FEEDRO C[N@H+]1C[C@H]2CN(C(=O)c3occc3COc3cccc(C#N)c3)C[C@H]2C1 ZINC000192482728 328321487 /nfs/dbraw/zinc/32/14/87/328321487.db2.gz NHFQCRFTNCNRPS-CALCHBBNSA-N 1 0 351.406 2.364 20 30 FEEDRO CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000192702905 328333989 /nfs/dbraw/zinc/33/39/89/328333989.db2.gz QYLONHKIXHFCLC-UHFFFAOYSA-N 1 0 371.485 2.044 20 30 FEEDRO CC[NH+](CC)C[C@H]1CCN(C(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)C1 ZINC000193053752 328354343 /nfs/dbraw/zinc/35/43/43/328354343.db2.gz YQGCFOFPBCQALA-OAHLLOKOSA-N 1 0 373.501 2.244 20 30 FEEDRO C[C@@H](CCNC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C)[NH+]1CCCCC1 ZINC000193278787 328366493 /nfs/dbraw/zinc/36/64/93/328366493.db2.gz KMWGMTOBYSGDPX-HNNXBMFYSA-N 1 0 373.501 2.434 20 30 FEEDRO C[C@@H]1C[NH+](CCC2CCN(C(=O)c3ccnc(C#N)c3)CC2)C[C@@H](C)O1 ZINC000193458678 328376791 /nfs/dbraw/zinc/37/67/91/328376791.db2.gz IHUMSYFLAKASKP-HZPDHXFCSA-N 1 0 356.470 2.305 20 30 FEEDRO N#Cc1cc(C(=O)Nc2cccc(C[NH+]3CCC(CO)CC3)c2)ccn1 ZINC000193488309 328378191 /nfs/dbraw/zinc/37/81/91/328378191.db2.gz MRSURSQMLKJZOD-UHFFFAOYSA-N 1 0 350.422 2.410 20 30 FEEDRO C[NH+]1CCN(c2ncccc2CNC(=O)/C=C/c2cccc(C#N)c2)CC1 ZINC000194522445 328428596 /nfs/dbraw/zinc/42/85/96/328428596.db2.gz GMXRLKHPPWWRTD-BQYQJAHWSA-N 1 0 361.449 2.035 20 30 FEEDRO C[N@@H+]1CCC[C@H](CNS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)C1 ZINC000083537915 325218703 /nfs/dbraw/zinc/21/87/03/325218703.db2.gz KXDGUYWYQWFQGE-LLVKDONJSA-N 1 0 361.389 2.197 20 30 FEEDRO CC(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cc(C#N)ccc2Cl)CC1 ZINC000088768115 325300227 /nfs/dbraw/zinc/30/02/27/325300227.db2.gz YWBZXRZSTJUIJI-UHFFFAOYSA-N 1 0 362.861 2.387 20 30 FEEDRO CC(C)[C@H](CNC(=O)C(=O)Nc1cc(C#N)ccc1Cl)[NH+]1CCCC1 ZINC000088771108 325300884 /nfs/dbraw/zinc/30/08/84/325300884.db2.gz FXBBXJXBYJHXEO-INIZCTEOSA-N 1 0 362.861 2.387 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(C)n(-c3ccccc3)n2)c1C#N ZINC000089661897 325326146 /nfs/dbraw/zinc/32/61/46/325326146.db2.gz BENCYTOGGYLAJF-UHFFFAOYSA-N 1 0 363.425 2.180 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@H]2SCCc3sccc32)c1C#N ZINC000089674124 325326282 /nfs/dbraw/zinc/32/62/82/325326282.db2.gz LZHMZZGGBBOSIN-AWEZNQCLSA-N 1 0 361.496 2.464 20 30 FEEDRO CCOc1ccc(CCC(=O)Nc2n[nH]c(CCC[NH2+]C)c2C#N)cc1 ZINC000089675427 325326759 /nfs/dbraw/zinc/32/67/59/325326759.db2.gz RYSCEGHLDYVNBI-UHFFFAOYSA-N 1 0 355.442 2.403 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(OC(C)C)c(OC)c2)c1C#N ZINC000089676489 325326834 /nfs/dbraw/zinc/32/68/34/325326834.db2.gz UJJFPTQADPIMMY-UHFFFAOYSA-N 1 0 371.441 2.481 20 30 FEEDRO CCCc1c(C(=O)Nc2n[nH]c(CCC[NH2+]C)c2C#N)[nH]c(C)c1C(C)=O ZINC000089676088 325326882 /nfs/dbraw/zinc/32/68/82/325326882.db2.gz SKVWNWXHZWSRPM-UHFFFAOYSA-N 1 0 370.457 2.477 20 30 FEEDRO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)COc1ccc(C#N)cc1 ZINC000116253133 326002471 /nfs/dbraw/zinc/00/24/71/326002471.db2.gz YCVKUVPHQCEHJG-UZLBHIALSA-N 1 0 364.449 2.359 20 30 FEEDRO CC(C)C[N@@H+]1CCC[C@H](CNS(=O)(=O)c2ccc(F)c(C#N)c2)C1 ZINC000120183258 326238461 /nfs/dbraw/zinc/23/84/61/326238461.db2.gz FZNMMMICVXJRDN-CQSZACIVSA-N 1 0 353.463 2.344 20 30 FEEDRO C[N@@H+]1CCC[C@@H]2CN(S(=O)(=O)c3ccc(Cl)c(C#N)c3)CC[C@@H]21 ZINC000122320449 326392257 /nfs/dbraw/zinc/39/22/57/326392257.db2.gz RYXCEFQYGVUDKL-WBMJQRKESA-N 1 0 353.875 2.316 20 30 FEEDRO Cc1cccc(NC(=O)C(=O)Nc2ccc(OCC[NH+](C)C)cc2)c1C#N ZINC000125335220 326469841 /nfs/dbraw/zinc/46/98/41/326469841.db2.gz LILRMBJJULBEQD-UHFFFAOYSA-N 1 0 366.421 2.384 20 30 FEEDRO C[NH+](C)CCN(Cc1ccco1)C(=O)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000130168695 326552303 /nfs/dbraw/zinc/55/23/03/326552303.db2.gz DQEKREJASHAOCM-UHFFFAOYSA-N 1 0 374.828 2.334 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(SC)c([N+](=O)[O-])c2)c1C#N ZINC000133208672 326604847 /nfs/dbraw/zinc/60/48/47/326604847.db2.gz VQIBZFSWICAOAT-UHFFFAOYSA-N 1 0 374.426 2.316 20 30 FEEDRO Cc1cccc(S(=O)(=O)NCc2cccc(OCC[NH+](C)C)c2)c1C#N ZINC000156580612 326836837 /nfs/dbraw/zinc/83/68/37/326836837.db2.gz XINQVXDPZBBZOL-UHFFFAOYSA-N 1 0 373.478 2.286 20 30 FEEDRO CC(C)(C)[NH+]1CCC(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)CC1 ZINC000156643626 326839124 /nfs/dbraw/zinc/83/91/24/326839124.db2.gz KTMAZOROKBDZPD-UHFFFAOYSA-N 1 0 366.443 2.008 20 30 FEEDRO N#Cc1ccc(F)c(CS(=O)(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000163784622 327058714 /nfs/dbraw/zinc/05/87/14/327058714.db2.gz PTBIUSUJNWXBBO-INIZCTEOSA-N 1 0 365.474 2.335 20 30 FEEDRO C[C@H]1C[NH+](CC2CCN(C(=O)Cc3ccc(C#N)cc3)CC2)C[C@H](C)O1 ZINC000171224979 327125653 /nfs/dbraw/zinc/12/56/53/327125653.db2.gz RKXFIAWYPWPJNX-IRXDYDNUSA-N 1 0 355.482 2.449 20 30 FEEDRO COCC[NH+]1CCC(NC(=O)Nc2cc(C#N)ccc2OC(F)F)CC1 ZINC000171230886 327126111 /nfs/dbraw/zinc/12/61/11/327126111.db2.gz WSWXVYSWTLQPTK-UHFFFAOYSA-N 1 0 368.384 2.392 20 30 FEEDRO Cc1cccc(NC(=O)C(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)c1C#N ZINC000174768970 327349675 /nfs/dbraw/zinc/34/96/75/327349675.db2.gz PPUOWNVFLLGFJQ-SFHVURJKSA-N 1 0 368.412 2.363 20 30 FEEDRO Cc1cccc(NC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)c1C#N ZINC000174953420 327363310 /nfs/dbraw/zinc/36/33/10/327363310.db2.gz RZWCUIFVGUFALQ-MRXNPFEDSA-N 1 0 354.454 2.282 20 30 FEEDRO Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NCc1cc(C#N)ccc1F ZINC000176096681 327434020 /nfs/dbraw/zinc/43/40/20/327434020.db2.gz IVRHIXUAVLVCEP-UHFFFAOYSA-N 1 0 368.412 2.322 20 30 FEEDRO Cc1c(C#N)cccc1NC(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000178486633 327587923 /nfs/dbraw/zinc/58/79/23/327587923.db2.gz MIOHFFPJNBTMID-KRWDZBQOSA-N 1 0 354.454 2.282 20 30 FEEDRO C[C@@H]([NH3+])[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000262192526 328849861 /nfs/dbraw/zinc/84/98/61/328849861.db2.gz CJMRAKUHWREKQP-YGRLFVJLSA-N 1 0 361.389 2.467 20 30 FEEDRO N#Cc1cc(NC(=O)C(=O)N2CCC([NH+]3CCCCC3)CC2)ccc1F ZINC000264007295 328984026 /nfs/dbraw/zinc/98/40/26/328984026.db2.gz GSMCZTGXXHUITN-UHFFFAOYSA-N 1 0 358.417 2.113 20 30 FEEDRO COCCN(CC[NH+](C)C)C(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000264218188 329001084 /nfs/dbraw/zinc/00/10/84/329001084.db2.gz VMSFBJMSNAKJPD-UHFFFAOYSA-N 1 0 371.437 2.380 20 30 FEEDRO COC(=O)C1CC[NH+](CCCNc2c(C#N)nnc3ccccc32)CC1 ZINC000265861598 329167321 /nfs/dbraw/zinc/16/73/21/329167321.db2.gz GTMOIKQQFRUKND-UHFFFAOYSA-N 1 0 353.426 2.188 20 30 FEEDRO N#Cc1c(NC(=O)CC[N@H+]2CCCN(C=O)CC2)sc2c1CCCCC2 ZINC000266132270 329193242 /nfs/dbraw/zinc/19/32/42/329193242.db2.gz RLDQOHYPEDVGCP-UHFFFAOYSA-N 1 0 374.510 2.381 20 30 FEEDRO CCc1nnc(NCc2ccc(N3CC[NH+](C)CC3)nc2)c(C#N)c1CC ZINC000268178989 329393799 /nfs/dbraw/zinc/39/37/99/329393799.db2.gz SKIQTLIAZVFFEH-UHFFFAOYSA-N 1 0 365.485 2.232 20 30 FEEDRO CC(C)[NH+]1CCC(N(C)S(=O)(=O)c2c(F)cc(C#N)cc2F)CC1 ZINC000268194868 329395652 /nfs/dbraw/zinc/39/56/52/329395652.db2.gz QFTSLGWWSSQRMW-UHFFFAOYSA-N 1 0 357.426 2.330 20 30 FEEDRO CCN(CC)C(=O)C[C@@H](C)[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000272480297 329784465 /nfs/dbraw/zinc/78/44/65/329784465.db2.gz AWNMCUZAJGUUDL-CRAIPNDOSA-N 1 0 356.470 2.290 20 30 FEEDRO N#Cc1ccc(OCCNC(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)cc1 ZINC000361448581 330204206 /nfs/dbraw/zinc/20/42/06/330204206.db2.gz BAITVGLYNVHFDX-QXAKKESOSA-N 1 0 354.454 2.063 20 30 FEEDRO C[NH+]1CCC2(CCCN(CCS(=O)(=O)c3cccc(C#N)c3)C2)CC1 ZINC000367202147 330229491 /nfs/dbraw/zinc/22/94/91/330229491.db2.gz YDLVXIPGHLYXAD-UHFFFAOYSA-N 1 0 361.511 2.140 20 30 FEEDRO N#Cc1ccc(C2=CCN(C(=O)NCCCC[NH+]3CCOCC3)CC2)cc1 ZINC000367209897 330230353 /nfs/dbraw/zinc/23/03/53/330230353.db2.gz WZUOPJUYUMGHGW-UHFFFAOYSA-N 1 0 368.481 2.469 20 30 FEEDRO C=C(C[NH+](C)C)C(=O)N1CCCC[C@H]1COC(=O)N1CCC[C@@H](C)C1 ZINC000804664648 674296307 /nfs/dbraw/zinc/29/63/07/674296307.db2.gz OAUCBNRLXCQWOX-WBVHZDCISA-N 1 0 351.491 2.354 20 30 FEEDRO C[C@H]1CCC[N@@H+]1CCNS(=O)(=O)c1cccc(Br)c1C#N ZINC000805072692 674316921 /nfs/dbraw/zinc/31/69/21/674316921.db2.gz OSFMPHISLOMHPB-NSHDSACASA-N 1 0 372.288 2.083 20 30 FEEDRO C[NH+](C)Cc1cccc(C(=O)NC2CC([N@@H+](CC(=O)[O-])CC3CC3)C2)c1 ZINC000328637215 521910473 /nfs/dbraw/zinc/91/04/73/521910473.db2.gz OLULAINJNHVLJL-UHFFFAOYSA-N 1 0 359.470 2.380 20 30 FEEDRO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@@H](C)C1CCN(CC(F)(F)F)CC1 ZINC000555475364 674363554 /nfs/dbraw/zinc/36/35/54/674363554.db2.gz NDXXKCPVWNSWDB-KGLIPLIRSA-N 1 0 362.440 2.247 20 30 FEEDRO CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 ZINC000156167635 545604247 /nfs/dbraw/zinc/60/42/47/545604247.db2.gz GGCWVELNBWGCGS-SFHVURJKSA-N 1 0 355.486 2.301 20 30 FEEDRO COc1ccc(OC)c(C[N@H+](CCO)C[C@H](O)c2ccc(C#N)cc2)c1 ZINC000156336886 545618845 /nfs/dbraw/zinc/61/88/45/545618845.db2.gz VHYABFAFRWPATB-IBGZPJMESA-N 1 0 356.422 2.103 20 30 FEEDRO C[C@H](O)C[N@H+](CCS(=O)(=O)c1cccc(C#N)c1)C1CCCCC1 ZINC000156725555 545652884 /nfs/dbraw/zinc/65/28/84/545652884.db2.gz HLSAGCCPGXWKGN-HNNXBMFYSA-N 1 0 350.484 2.347 20 30 FEEDRO N#Cc1ccc(Cl)cc1NC(=O)CN1CCN(c2cc[nH+]cc2)CC1 ZINC000161294854 546118203 /nfs/dbraw/zinc/11/82/03/546118203.db2.gz FDFXEUYQWQCMQX-UHFFFAOYSA-N 1 0 355.829 2.367 20 30 FEEDRO N#CC1(NC(=O)CCC[NH+]2CCN(c3ccccc3)CC2)CCSCC1 ZINC000162578750 546139874 /nfs/dbraw/zinc/13/98/74/546139874.db2.gz MRLYCDMXQJUHLG-UHFFFAOYSA-N 1 0 372.538 2.494 20 30 FEEDRO C[NH+]=C(NCC1CCN(S(C)(=O)=O)CC1)N[C@@H]1CCC[C@H](C(C)C)C1 ZINC000164758176 546151002 /nfs/dbraw/zinc/15/10/02/546151002.db2.gz HFKFOLHOIKPCAU-DLBZAZTESA-N 1 0 372.579 2.038 20 30 FEEDRO [NH2+]=C(NC[C@@H](O)COc1ccc(C(F)(F)F)cc1)Nc1ccccn1 ZINC000170910709 546181588 /nfs/dbraw/zinc/18/15/88/546181588.db2.gz UNWFMQNGCALOMU-GFCCVEGCSA-N 1 0 354.332 2.267 20 30 FEEDRO COCCC[NH+]1CCC(NC(=O)CSCc2ccc(C#N)cc2)CC1 ZINC000171123668 546191702 /nfs/dbraw/zinc/19/17/02/546191702.db2.gz TULPFYVKZFVUHC-UHFFFAOYSA-N 1 0 361.511 2.409 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)[C@@H]2CSCN2C(=O)CC(C)(C)C)CC1 ZINC000171632999 546217402 /nfs/dbraw/zinc/21/74/02/546217402.db2.gz NRCNFEDAHNHWBM-HNNXBMFYSA-N 1 0 353.532 2.091 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)[C@@H](C(C)C)n2nnc(-c3ccccc3)n2)CC1 ZINC000171715577 546220479 /nfs/dbraw/zinc/22/04/79/546220479.db2.gz WAGRHADPGPYJBF-GOSISDBHSA-N 1 0 368.485 2.304 20 30 FEEDRO N#CC1(C(=O)NCCCC[NH+]2CCN(c3ccccc3)CC2)CCOCC1 ZINC000171763266 546224648 /nfs/dbraw/zinc/22/46/48/546224648.db2.gz IAUYAXMEJRRTFL-UHFFFAOYSA-N 1 0 370.497 2.025 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1ccc(-n2cnnn2)cc1)C(C)C ZINC000171980519 546232462 /nfs/dbraw/zinc/23/24/62/546232462.db2.gz IGVRUQSEASWCFO-SFHVURJKSA-N 1 0 354.458 2.091 20 30 FEEDRO C=CCOc1ccc(C(=O)N2CC[NH+](CC3CCOCC3)CC2)cc1OC ZINC000172385935 546250998 /nfs/dbraw/zinc/25/09/98/546250998.db2.gz XAYHQTVZKWZXBP-UHFFFAOYSA-N 1 0 374.481 2.444 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N[C@H](C)c2nc(Cc3ccccc3)no2)CC1 ZINC000175322795 546308943 /nfs/dbraw/zinc/30/89/43/546308943.db2.gz ZRDIGPMCAOJSGG-OAHLLOKOSA-N 1 0 352.438 2.183 20 30 FEEDRO C[NH+](C)Cc1ccc(CNC(=O)C(=O)Nc2ccc(F)cc2C#N)cc1 ZINC000175943279 546377113 /nfs/dbraw/zinc/37/71/13/546377113.db2.gz YODOOLVZRFMLQR-UHFFFAOYSA-N 1 0 354.385 2.014 20 30 FEEDRO N#Cc1cc(F)ccc1NC(=O)C(=O)NCCCCNc1ccccn1 ZINC000175992668 546386501 /nfs/dbraw/zinc/38/65/01/546386501.db2.gz PYDWVBYEOQBGTI-UHFFFAOYSA-N 1 0 355.373 2.039 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)CCN2CCC[N@@H+](C3CCCC3)CC2)cc1 ZINC000176251278 546424406 /nfs/dbraw/zinc/42/44/06/546424406.db2.gz RHSBVUGLIKOHHC-UHFFFAOYSA-N 1 0 361.511 2.282 20 30 FEEDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000176553693 546460905 /nfs/dbraw/zinc/46/09/05/546460905.db2.gz RCBLSWIKARYINV-CABCVRRESA-N 1 0 360.845 2.235 20 30 FEEDRO O=C(C[N@H+]1CCCN(CC#Cc2ccc(Cl)cc2)CC1)N1CCCC1 ZINC000177015302 546523881 /nfs/dbraw/zinc/52/38/81/546523881.db2.gz VSXZAQXPTHMSJU-UHFFFAOYSA-N 1 0 359.901 2.322 20 30 FEEDRO COC(=O)[C@]1(C)CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000177422126 546614875 /nfs/dbraw/zinc/61/48/75/546614875.db2.gz CXVYYJZUCDYJCN-GOSISDBHSA-N 1 0 361.467 2.322 20 30 FEEDRO CC[NH+](CC)CC1CCN(C(=O)C(=O)Nc2ccc(F)c(C#N)c2)CC1 ZINC000480968413 561221500 /nfs/dbraw/zinc/22/15/00/561221500.db2.gz FDLPNBLBOACCLG-UHFFFAOYSA-N 1 0 360.433 2.216 20 30 FEEDRO N#Cc1ccc(CS(=O)(=O)N2CCC[C@H]2C[NH+]2CCCC2)c(F)c1 ZINC000481024526 561223168 /nfs/dbraw/zinc/22/31/68/561223168.db2.gz KYSMHZXDWYZVHU-INIZCTEOSA-N 1 0 351.447 2.087 20 30 FEEDRO CC(C)[NH+]1CCC(C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)CC1 ZINC000177999430 546719923 /nfs/dbraw/zinc/71/99/23/546719923.db2.gz DFIWJDZFKGXWAW-UHFFFAOYSA-N 1 0 352.442 2.257 20 30 FEEDRO Cc1c(C#N)cccc1NC(=O)C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000178448881 546796150 /nfs/dbraw/zinc/79/61/50/546796150.db2.gz RNHOMRYPTWCYEQ-AWEZNQCLSA-N 1 0 356.470 2.432 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)[C@H]2CCc3[nH]nc(C(F)(F)F)c3C2)CC1 ZINC000178814942 546854752 /nfs/dbraw/zinc/85/47/52/546854752.db2.gz JGQYDLSPGWGHTP-NSHDSACASA-N 1 0 356.392 2.300 20 30 FEEDRO CC(C)CN1CCN(C(=O)C(=O)Nc2ccc(OC(C)C)c(C#N)c2)CC1 ZINC000179021529 546887640 /nfs/dbraw/zinc/88/76/40/546887640.db2.gz DGBGQHJBVIOPCN-UHFFFAOYSA-N 1 0 372.469 2.084 20 30 FEEDRO C[C@@H](NC(=O)C(=O)Nc1cccc(C#N)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000180413690 547103973 /nfs/dbraw/zinc/10/39/73/547103973.db2.gz ZZWVIJNWKLOPJQ-GDBMZVCRSA-N 1 0 354.454 2.266 20 30 FEEDRO C[C@H]([NH2+]CC(=O)N(CCC#N)CCC#N)c1ccc(-n2cccn2)cc1 ZINC000180852848 547195004 /nfs/dbraw/zinc/19/50/04/547195004.db2.gz CXCPOXQUDJMYRK-INIZCTEOSA-N 1 0 350.426 2.179 20 30 FEEDRO C=C(C)COc1cc(C[NH2+][C@@H](CC(N)=O)C2CCOCC2)ccc1OC ZINC000180916048 547208726 /nfs/dbraw/zinc/20/87/26/547208726.db2.gz QYOKEYTZHZVQLE-KRWDZBQOSA-N 1 0 362.470 2.410 20 30 FEEDRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+]CCOc2ccccc2C#N)cc1 ZINC000181052900 547240238 /nfs/dbraw/zinc/24/02/38/547240238.db2.gz ZVBZJWSTFOEKSD-AWEZNQCLSA-N 1 0 359.451 2.196 20 30 FEEDRO C[NH+]1CCN(CCNC(=O)c2ccccc2Oc2ccccc2C#N)CC1 ZINC000181200135 547269547 /nfs/dbraw/zinc/26/95/47/547269547.db2.gz HFYVXKSCEBMOAL-UHFFFAOYSA-N 1 0 364.449 2.328 20 30 FEEDRO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000181309164 547290632 /nfs/dbraw/zinc/29/06/32/547290632.db2.gz KHJXALXEUOELHK-GJZGRUSLSA-N 1 0 358.442 2.302 20 30 FEEDRO CN(CCC#N)C(=O)CC[N@@H+]1CCC[C@@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000181306710 547290641 /nfs/dbraw/zinc/29/06/41/547290641.db2.gz VPCIJSXJJBGSPJ-QGZVFWFLSA-N 1 0 366.469 2.413 20 30 FEEDRO C[C@H]([NH2+]CC(=O)NC1(C#N)CCCCC1)c1ccc(-n2cncn2)cc1 ZINC000181522048 547328752 /nfs/dbraw/zinc/32/87/52/547328752.db2.gz PHQKHZJDPVYNOF-HNNXBMFYSA-N 1 0 352.442 2.261 20 30 FEEDRO CS[C@@H]1CN(C(=O)c2ncc(C#N)cc2Cl)C[C@@H]1[NH+]1CCCC1 ZINC000483390720 561275465 /nfs/dbraw/zinc/27/54/65/561275465.db2.gz CTYBZYGDWZQPKM-UONOGXRCSA-N 1 0 350.875 2.258 20 30 FEEDRO Cc1nc2n(n1)C[C@H]([NH2+]C1CCN(Cc3ccc(C#N)cc3)CC1)CC2 ZINC000181663997 547355077 /nfs/dbraw/zinc/35/50/77/547355077.db2.gz XMAKZCTYDDQDHG-LJQANCHMSA-N 1 0 350.470 2.027 20 30 FEEDRO C[C@@H]([NH2+]CC(=O)NC1(C#N)CCCCC1)c1ccc(-n2ccnn2)cc1 ZINC000182050076 547429535 /nfs/dbraw/zinc/42/95/35/547429535.db2.gz BENLUHWNVSIVSV-OAHLLOKOSA-N 1 0 352.442 2.261 20 30 FEEDRO C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000182145785 547444830 /nfs/dbraw/zinc/44/48/30/547444830.db2.gz SMGFLROBJKDAIC-HOTGVXAUSA-N 1 0 372.469 2.297 20 30 FEEDRO C=CCc1ccccc1OC[C@@H](O)C[NH+]1CCC(CC(=O)N(C)C)CC1 ZINC000182210291 547454168 /nfs/dbraw/zinc/45/41/68/547454168.db2.gz WMJVMBFKTNTFSQ-IBGZPJMESA-N 1 0 360.498 2.345 20 30 FEEDRO C=C(C)COCCNC(=O)NCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000182723390 547541349 /nfs/dbraw/zinc/54/13/49/547541349.db2.gz JLTAHCKSJZDCSN-IBGZPJMESA-N 1 0 361.486 2.035 20 30 FEEDRO CN(CCC[NH+]1CCN(C)CC1)Cc1ccc(C#N)cc1Br ZINC000182967657 547580994 /nfs/dbraw/zinc/58/09/94/547580994.db2.gz XLAQGVVCJUOKKM-UHFFFAOYSA-N 1 0 365.319 2.390 20 30 FEEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000183684845 547701572 /nfs/dbraw/zinc/70/15/72/547701572.db2.gz MRBHKTNZVWZWDS-ZIAGYGMSSA-N 1 0 355.442 2.232 20 30 FEEDRO C[NH+](C)CC(C)(C)CNS(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000184084500 547766477 /nfs/dbraw/zinc/76/64/77/547766477.db2.gz ZQIIKQRTMFIEFY-UHFFFAOYSA-N 1 0 374.304 2.187 20 30 FEEDRO COC(=O)c1cn(C2CC[NH+](Cc3ccc(O[C@@H](C)C#N)cc3)CC2)nn1 ZINC000184756069 547875851 /nfs/dbraw/zinc/87/58/51/547875851.db2.gz ZUGUDWTVNDXTHC-AWEZNQCLSA-N 1 0 369.425 2.193 20 30 FEEDRO Cc1nccc(N2CC[NH+](Cc3ccc(N(C)CCC#N)cc3)CC2)n1 ZINC000184763412 547877136 /nfs/dbraw/zinc/87/71/36/547877136.db2.gz VAODGXBLMUQODN-UHFFFAOYSA-N 1 0 350.470 2.457 20 30 FEEDRO C=CC[C@@H](CO)NC(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCCC1 ZINC000185226163 547955198 /nfs/dbraw/zinc/95/51/98/547955198.db2.gz HFKRGNBHUAHQIH-HKUYNNGSSA-N 1 0 361.486 2.458 20 30 FEEDRO CCOC(=O)C[C@](C)([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)C(C)C ZINC000186714059 548179445 /nfs/dbraw/zinc/17/94/45/548179445.db2.gz JVRMXYHNXMHCKO-SFHVURJKSA-N 1 0 366.483 2.289 20 30 FEEDRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C2(c3ccc(C#N)cc3)CC2)CC1 ZINC000186725606 548180801 /nfs/dbraw/zinc/18/08/01/548180801.db2.gz TYLSTPXMJJYFDU-HXUWFJFHSA-N 1 0 366.509 2.218 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)NC[C@]2(O)CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000188569560 548282581 /nfs/dbraw/zinc/28/25/81/548282581.db2.gz SCZSEMGMZYCPDL-CJNGLKHVSA-N 1 0 363.424 2.420 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1c(C)nn(C)c1-n1cccn1)C(C)C ZINC000189488846 548303229 /nfs/dbraw/zinc/30/32/29/548303229.db2.gz BGNJENUUTKGNGY-QGZVFWFLSA-N 1 0 370.501 2.343 20 30 FEEDRO C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000190026795 548316244 /nfs/dbraw/zinc/31/62/44/548316244.db2.gz DDHYHZDEEXVBPR-HZPDHXFCSA-N 1 0 370.453 2.003 20 30 FEEDRO C#CCN(CC#C)C(=O)C(=O)Nc1cccc2c1C[N@H+]([C@@H](C)C(C)C)C2 ZINC000190437320 548324504 /nfs/dbraw/zinc/32/45/04/548324504.db2.gz PQMAHUASQSODSK-INIZCTEOSA-N 1 0 351.450 2.080 20 30 FEEDRO C=CCN(CCOC)CC(=O)N1c2ccccc2NC(=O)C12CCCC2 ZINC000191147609 548342031 /nfs/dbraw/zinc/34/20/31/548342031.db2.gz ZGXWATYZVAGFMZ-UHFFFAOYSA-N 1 0 357.454 2.419 20 30 FEEDRO C=C(C)CN(C)C(=O)C(=O)Nc1cc(C)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000192121613 548358919 /nfs/dbraw/zinc/35/89/19/548358919.db2.gz DVPHGGISPAMJMJ-UHFFFAOYSA-N 1 0 372.513 2.498 20 30 FEEDRO C=CCSCCNC(=O)Nc1cccc(CN2CCC[C@H]2C(N)=O)c1 ZINC000194553344 548497894 /nfs/dbraw/zinc/49/78/94/548497894.db2.gz CQLUGIACEUJGNM-INIZCTEOSA-N 1 0 362.499 2.177 20 30 FEEDRO N#Cc1cc(Br)cc(S(=O)(=O)N[C@H]2CCCC[C@H]2C[NH3+])c1 ZINC000237903604 548863347 /nfs/dbraw/zinc/86/33/47/548863347.db2.gz RBYJIQJFFYLBGA-FZMZJTMJSA-N 1 0 372.288 2.117 20 30 FEEDRO CO[C@@H]1CN(CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)C[C@H]1OC ZINC000487983541 561380695 /nfs/dbraw/zinc/38/06/95/561380695.db2.gz VUSBSIQMQHTASZ-IAGOWNOFSA-N 1 0 365.861 2.241 20 30 FEEDRO C[N@@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)C[C@@H]1CCCC[C@H]1O ZINC000245534345 548940823 /nfs/dbraw/zinc/94/08/23/548940823.db2.gz DUWXASXDPMDEKR-MAUKXSAKSA-N 1 0 367.453 2.165 20 30 FEEDRO C[C@H](N[C@@H](C[S@@](C)=O)c1ccccc1)C(=O)NC1(C#N)CCCCC1 ZINC000245882219 549008953 /nfs/dbraw/zinc/00/89/53/549008953.db2.gz NUBBXOSLWRGDKV-LMZHUWQESA-N 1 0 361.511 2.427 20 30 FEEDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000246004508 549034071 /nfs/dbraw/zinc/03/40/71/549034071.db2.gz GWKSKWZNAZMXME-MJBXVCDLSA-N 1 0 360.433 2.118 20 30 FEEDRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N1CCO[C@H](C#N)C1 ZINC000246285438 549097429 /nfs/dbraw/zinc/09/74/29/549097429.db2.gz AIGFPZHRSMOJAA-JFRXWTBNSA-N 1 0 356.470 2.077 20 30 FEEDRO COC(=O)[C@@H]1C[C@@H](c2ccccc2)C[N@@H+]([C@H](C)C(=O)N(C)CCC#N)C1 ZINC000246291447 549098635 /nfs/dbraw/zinc/09/86/35/549098635.db2.gz OWCXWLOJHJGHAT-KBAYOESNSA-N 1 0 357.454 2.026 20 30 FEEDRO COc1cccc(C[C@@H](C)[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)n1 ZINC000488480714 561390552 /nfs/dbraw/zinc/39/05/52/561390552.db2.gz FIMMNBYHUYEEKU-DNVCBOLYSA-N 1 0 364.449 2.284 20 30 FEEDRO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000246498420 549147663 /nfs/dbraw/zinc/14/76/63/549147663.db2.gz XQYLXUVOCQYPMR-KGLIPLIRSA-N 1 0 353.875 2.459 20 30 FEEDRO Cc1ncc(S(=O)(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)cc1C#N ZINC000489121003 561403873 /nfs/dbraw/zinc/40/38/73/561403873.db2.gz VXPAKMXMSNRXHV-UHFFFAOYSA-N 1 0 374.466 2.140 20 30 FEEDRO C=CC[C@H](CO)NC(=O)N[C@@H]1CC[N@H+](C2CC2)[C@H]1c1cccc(OC)c1 ZINC000248605464 549466998 /nfs/dbraw/zinc/46/69/98/549466998.db2.gz WBZQTVLMIWNLRC-LZQZEXGQSA-N 1 0 359.470 2.209 20 30 FEEDRO C=CC[C@H](CO)NC(=O)N[C@H]1CC[N@H+](C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000248605463 549467192 /nfs/dbraw/zinc/46/71/92/549467192.db2.gz WBZQTVLMIWNLRC-AYOQOUSVSA-N 1 0 359.470 2.209 20 30 FEEDRO C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000249404572 549588243 /nfs/dbraw/zinc/58/82/43/549588243.db2.gz UFFLMZAOJBIFLS-QZTJIDSGSA-N 1 0 372.513 2.099 20 30 FEEDRO COCC[N@H+](C)CCOc1cccc(CNC(=O)N2CCC(C#N)CC2)c1 ZINC000489735022 561417952 /nfs/dbraw/zinc/41/79/52/561417952.db2.gz DQJWQSPKPJLHSQ-UHFFFAOYSA-N 1 0 374.485 2.089 20 30 FEEDRO CCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000253357943 549683467 /nfs/dbraw/zinc/68/34/67/549683467.db2.gz JNWYZWGJWRBQAQ-HUUCEWRRSA-N 1 0 372.469 2.132 20 30 FEEDRO C[NH+]=C(NCCn1cncn1)N[C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000261995575 549777649 /nfs/dbraw/zinc/77/76/49/549777649.db2.gz SHQFBYGJAZLWDI-MRXNPFEDSA-N 1 0 354.458 2.280 20 30 FEEDRO C[NH+]=C(NCC(=O)N1CCc2ccccc2C1)NCc1ccc(C)s1 ZINC000262709139 549841455 /nfs/dbraw/zinc/84/14/55/549841455.db2.gz CEDWXHXTKKIZSV-UHFFFAOYSA-N 1 0 356.495 2.306 20 30 FEEDRO CC[NH+]=C(NC[C@H]1CCOc2ccccc21)N1CCC(C(=O)OC)CC1 ZINC000262785806 549849924 /nfs/dbraw/zinc/84/99/24/549849924.db2.gz MLZMTFPYWAVCFS-MRXNPFEDSA-N 1 0 359.470 2.403 20 30 FEEDRO C[NH+]=C(NCc1nnc2c(Cl)cc(C(F)(F)F)cn12)N[C@H]1C[C@@H]1C ZINC000262813553 549852432 /nfs/dbraw/zinc/85/24/32/549852432.db2.gz OLWRXJJUIJNGOV-XVKPBYJWSA-N 1 0 360.771 2.475 20 30 FEEDRO N#CCOc1ccc(/C=C/C(=O)NCC2([NH+]3CCCC3)CCOCC2)cc1 ZINC000264238765 549993331 /nfs/dbraw/zinc/99/33/31/549993331.db2.gz JDQBOIFSFYWIPT-VMPITWQZSA-N 1 0 369.465 2.363 20 30 FEEDRO CNC(=O)[C@H]1CCC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)C1 ZINC000264735123 550000788 /nfs/dbraw/zinc/00/07/88/550000788.db2.gz QIEOVSIBOGYLBF-IRXDYDNUSA-N 1 0 356.470 2.088 20 30 FEEDRO N#CCCSc1ccccc1NC(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000264790730 550001439 /nfs/dbraw/zinc/00/14/39/550001439.db2.gz VZXDLOBJWIQVPK-GOEBONIOSA-N 1 0 372.494 2.374 20 30 FEEDRO CCN(CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1)C[C@@H]1CCCO1 ZINC000265137676 550006863 /nfs/dbraw/zinc/00/68/63/550006863.db2.gz PBSRJZQTGGZFAF-ZFWWWQNUSA-N 1 0 354.410 2.013 20 30 FEEDRO C=CCc1cc(C(=O)NCC[N@@H+](C)CCCOC)cc(OC)c1OC ZINC000266158886 550018044 /nfs/dbraw/zinc/01/80/44/550018044.db2.gz NVVYHFDSQUAMKQ-UHFFFAOYSA-N 1 0 350.459 2.130 20 30 FEEDRO C[NH+](C)Cc1ccc(C(N)=NOCC(=O)N(C2CC2)C2CCCC2)cc1 ZINC000267030369 550027288 /nfs/dbraw/zinc/02/72/88/550027288.db2.gz VGDPYHXMWZZXRE-UHFFFAOYSA-N 1 0 358.486 2.319 20 30 FEEDRO CC[C@H](C)NC(=[NH2+])NCCCc1nn(-c2ccc(C)cc2)c(N)c1C#N ZINC000267446643 550031825 /nfs/dbraw/zinc/03/18/25/550031825.db2.gz QEAPMMSESRZPET-AWEZNQCLSA-N 1 0 353.474 2.270 20 30 FEEDRO COCC[N@@H+]1CC[C@H](NC(=O)NCC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000267655872 550034333 /nfs/dbraw/zinc/03/43/33/550034333.db2.gz COUJHGGHOSWYAJ-INIZCTEOSA-N 1 0 369.387 2.077 20 30 FEEDRO N#CCOc1cccc(NC(=O)C(=O)N2CC[NH+](C3CCCCC3)CC2)c1 ZINC000269006925 550143349 /nfs/dbraw/zinc/14/33/49/550143349.db2.gz LIJMAHHZGWUQLD-UHFFFAOYSA-N 1 0 370.453 2.004 20 30 FEEDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc(C#N)cc2Cl)C1 ZINC000269076951 550151985 /nfs/dbraw/zinc/15/19/85/550151985.db2.gz GXIQRRXCCXDYHN-AWEZNQCLSA-N 1 0 362.861 2.244 20 30 FEEDRO C[C@H](CN1CCN(c2ccccn2)CC1)[NH2+]Cc1ccc(C#N)cc1F ZINC000269439182 550196170 /nfs/dbraw/zinc/19/61/70/550196170.db2.gz SDLQTAUMMHOEDK-MRXNPFEDSA-N 1 0 353.445 2.393 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N[C@H](CC)[C@H](O)c2c(F)cccc2F)CC1 ZINC000269606220 550209966 /nfs/dbraw/zinc/20/99/66/550209966.db2.gz VOUDWXWKLUZHMD-AEFFLSMTSA-N 1 0 350.409 2.238 20 30 FEEDRO C=CCC[C@@H]([NH2+]Cc1cccc(S(=O)(=O)NCCOC)c1)C1CC1 ZINC000269739374 550221781 /nfs/dbraw/zinc/22/17/81/550221781.db2.gz VBGDUXMDIJSKLH-GOSISDBHSA-N 1 0 352.500 2.446 20 30 FEEDRO C#CC[C@H](NC(=O)NC[C@H](C(C)C)[NH+]1CCN(C)CC1)c1ccccc1 ZINC000270438203 550272575 /nfs/dbraw/zinc/27/25/75/550272575.db2.gz JJDFLZSIZHVQEJ-VQTJNVASSA-N 1 0 356.514 2.322 20 30 FEEDRO N#Cc1ccc(CC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)cc1 ZINC000270572719 550284711 /nfs/dbraw/zinc/28/47/11/550284711.db2.gz BUPDJVMQBKEWNS-LEWJYISDSA-N 1 0 363.461 2.100 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)NCc2nnc(CCc3ccccc3)o2)CC1 ZINC000494127722 561463127 /nfs/dbraw/zinc/46/31/27/561463127.db2.gz OELCMJMJNAULIY-UHFFFAOYSA-N 1 0 369.469 2.304 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N2CCc3ccc(C(=O)OC)cc3C2)CC1 ZINC000271517120 550381954 /nfs/dbraw/zinc/38/19/54/550381954.db2.gz QAXMWKAGMOOECS-UHFFFAOYSA-N 1 0 357.454 2.191 20 30 FEEDRO CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+]CCNC(=O)C1N=CC=CC1=O ZINC000271530028 550382772 /nfs/dbraw/zinc/38/27/72/550382772.db2.gz WMJDNBXGRLQBMS-MVZUJROASA-N 1 0 373.453 2.141 20 30 FEEDRO CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+]CCNC(=O)C1N=CC=CC1=O ZINC000271530026 550382775 /nfs/dbraw/zinc/38/27/75/550382775.db2.gz WMJDNBXGRLQBMS-DNTCVELPSA-N 1 0 373.453 2.141 20 30 FEEDRO C[C@@H](NC(=O)C(=O)Nc1ccc(C#N)cc1F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000272937470 550477422 /nfs/dbraw/zinc/47/74/22/550477422.db2.gz NJYDDOZEVXERSL-HIFRSBDPSA-N 1 0 372.444 2.405 20 30 FEEDRO N#Cc1ccnc(NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)c1[N+](=O)[O-] ZINC000273227537 550490476 /nfs/dbraw/zinc/49/04/76/550490476.db2.gz RFRTUFOXQLKOON-QGZVFWFLSA-N 1 0 367.409 2.430 20 30 FEEDRO N#Cc1cc([N+](=O)[O-])cnc1NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000273252984 550491911 /nfs/dbraw/zinc/49/19/11/550491911.db2.gz VFXJRCPFIFDAEC-QGZVFWFLSA-N 1 0 353.382 2.040 20 30 FEEDRO COc1ccccc1CNC(=[NH2+])NC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000273358947 550495612 /nfs/dbraw/zinc/49/56/12/550495612.db2.gz SENQHYZMJJNEOJ-AWEZNQCLSA-N 1 0 362.474 2.357 20 30 FEEDRO COc1ccc(C(=O)C(=O)N(CCC#N)CCC[NH+](C)C)cc1Cl ZINC000274134125 550524689 /nfs/dbraw/zinc/52/46/89/550524689.db2.gz CJDBLIUBPPOFJH-UHFFFAOYSA-N 1 0 351.834 2.225 20 30 FEEDRO CN(CC[N@H+](C)C1CC1)S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000274701003 550549906 /nfs/dbraw/zinc/54/99/06/550549906.db2.gz YLAKRUHLYQNUSK-UHFFFAOYSA-N 1 0 361.389 2.292 20 30 FEEDRO CN(C)C1(C#N)CCN(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000275009377 550570106 /nfs/dbraw/zinc/57/01/06/550570106.db2.gz DWZXJZWESUEBGL-ZWKOTPCHSA-N 1 0 355.486 2.061 20 30 FEEDRO CS[C@@H]1CN(CC(=O)N(CCC#N)c2ccccc2)C[C@H]1[NH+]1CCCC1 ZINC000275102448 550570541 /nfs/dbraw/zinc/57/05/41/550570541.db2.gz QVLWLCNKXQHWGQ-RTBURBONSA-N 1 0 372.538 2.445 20 30 FEEDRO C=CC[C@H](C)[C@@H](C)[NH2+]C[C@@H]1CC(=O)N(CCOC)[C@H]1c1cnn(C)c1C ZINC000275630213 550573203 /nfs/dbraw/zinc/57/32/03/550573203.db2.gz SFSFSFIUTCMLRW-NVALYEJGSA-N 1 0 362.518 2.455 20 30 FEEDRO Cc1noc(C[C@@H]([NH2+]CC(=O)N[C@](C)(C#N)C2CC2)c2ccccc2)n1 ZINC000277054488 550626611 /nfs/dbraw/zinc/62/66/11/550626611.db2.gz CQNXUHFWPOYVCK-VQIMIIECSA-N 1 0 353.426 2.060 20 30 FEEDRO CN(C1CC[NH+](Cc2ccccc2)CC1)S(=O)(=O)c1cccnc1C#N ZINC000277065260 550627820 /nfs/dbraw/zinc/62/78/20/550627820.db2.gz RTISOXCSJZFMFT-UHFFFAOYSA-N 1 0 370.478 2.238 20 30 FEEDRO N#Cc1ccc(NC(=O)C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)cc1Cl ZINC000277396208 550665439 /nfs/dbraw/zinc/66/54/39/550665439.db2.gz AZRAOPLWPUINII-OAHLLOKOSA-N 1 0 360.845 2.283 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1ccc(OCC(F)(F)F)cn1 ZINC000277436557 550670501 /nfs/dbraw/zinc/67/05/01/550670501.db2.gz MYHRGCOSDOKQAZ-UHFFFAOYSA-N 1 0 358.364 2.330 20 30 FEEDRO C=C[C@@H]1CCCCN1C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000494907948 561479158 /nfs/dbraw/zinc/47/91/58/561479158.db2.gz JZNZQESKQWAMOH-GOSISDBHSA-N 1 0 372.517 2.129 20 30 FEEDRO C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000278302162 550770743 /nfs/dbraw/zinc/77/07/43/550770743.db2.gz SMYMZGGDGDYDJL-QXAKKESOSA-N 1 0 371.481 2.304 20 30 FEEDRO CC[C@H](C)NC(=O)[C@@H](C)[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000278650773 550808032 /nfs/dbraw/zinc/80/80/32/550808032.db2.gz MKLNXSNSSYOHKA-LSDHHAIUSA-N 1 0 354.458 2.252 20 30 FEEDRO C[C@H]1C[N@H+](CCCNC(=O)/C=C/c2ccc(OCC#N)cc2)CCCO1 ZINC000278682816 550811022 /nfs/dbraw/zinc/81/10/22/550811022.db2.gz ULVJGBFHLYIORE-NADMHLTPSA-N 1 0 357.454 2.219 20 30 FEEDRO COC[C@H]([NH2+][C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1)[C@H]1CCCO1 ZINC000278783857 550821332 /nfs/dbraw/zinc/82/13/32/550821332.db2.gz OMQLBFOZMIVKEI-KNXALSJPSA-N 1 0 351.834 2.322 20 30 FEEDRO C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000278918083 550835799 /nfs/dbraw/zinc/83/57/99/550835799.db2.gz UNZKSNJBJPLWRZ-CVEARBPZSA-N 1 0 357.454 2.037 20 30 FEEDRO COC[C@H]([NH2+]CC(=O)N(CCC#N)c1ccc(C)c(C)c1)[C@H]1CCCO1 ZINC000278997072 550844902 /nfs/dbraw/zinc/84/49/02/550844902.db2.gz CFJSNVRCLGQYQN-RBUKOAKNSA-N 1 0 359.470 2.334 20 30 FEEDRO C#CCn1ccc(CN(CC)C(=O)c2ccccc2OCC[NH+](C)C)n1 ZINC000279132542 550857677 /nfs/dbraw/zinc/85/76/77/550857677.db2.gz NJMWGLIJDHHMEF-UHFFFAOYSA-N 1 0 354.454 2.119 20 30 FEEDRO C#CCn1ccc(CN(CC)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000279177284 550862041 /nfs/dbraw/zinc/86/20/41/550862041.db2.gz GKEKDOCWDKHCDH-IBGZPJMESA-N 1 0 365.481 2.322 20 30 FEEDRO CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000279322047 550877461 /nfs/dbraw/zinc/87/74/61/550877461.db2.gz CFQXNLUVDDBVCW-UHFFFAOYSA-N 1 0 371.485 2.044 20 30 FEEDRO COC(=O)[C@@]1(C)CC[N@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000279356272 550881206 /nfs/dbraw/zinc/88/12/06/550881206.db2.gz GSSTTYVJKOOAOD-IBGZPJMESA-N 1 0 353.426 2.244 20 30 FEEDRO CC(C)[C@H]([NH2+]C[C@H](O)COc1ccc(C#N)cc1)c1nnc2ccccn21 ZINC000495390892 561487409 /nfs/dbraw/zinc/48/74/09/561487409.db2.gz JITXLFIWIJESSY-LPHOPBHVSA-N 1 0 365.437 2.328 20 30 FEEDRO C[C@@H](O)C[C@@H]1CCCCN1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000279806091 550930750 /nfs/dbraw/zinc/93/07/50/550930750.db2.gz POVNPGJHLJBMGI-QAPCUYQASA-N 1 0 367.453 2.308 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cc([C@@H]3CCCOC3)nn2C)CC1 ZINC000280212948 550972174 /nfs/dbraw/zinc/97/21/74/550972174.db2.gz QHMNTHNIMIZJOB-OAHLLOKOSA-N 1 0 361.490 2.476 20 30 FEEDRO CN(C(=O)C[N@H+](C)[C@H](CC(N)=O)c1ccccc1)C1(C#N)CCCCC1 ZINC000280239449 550973844 /nfs/dbraw/zinc/97/38/44/550973844.db2.gz AVCAZOJVKPELBW-QGZVFWFLSA-N 1 0 356.470 2.220 20 30 FEEDRO CCOC(=O)CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)c1cc(C#N)oc1C ZINC000280753146 551028550 /nfs/dbraw/zinc/02/85/50/551028550.db2.gz MOAXMKLPHOPSQZ-OAHLLOKOSA-N 1 0 361.442 2.339 20 30 FEEDRO C=CCN1CC[C@H]([N@H+](C)C[C@H](O)CO[C@H]2CCCc3ccccc32)C1=O ZINC000281282749 551081102 /nfs/dbraw/zinc/08/11/02/551081102.db2.gz IUHGUVAUZBQLCY-IHPCNDPISA-N 1 0 358.482 2.160 20 30 FEEDRO C=CCN1CC[C@@H]([N@H+](C)C[C@H](O)COc2cc(C)ccc2Cl)C1=O ZINC000281310674 551083388 /nfs/dbraw/zinc/08/33/88/551083388.db2.gz KPCPNNOWFCROHD-GOEBONIOSA-N 1 0 352.862 2.107 20 30 FEEDRO COc1ccc(C[NH+]2CCC(CNC(=O)C(F)(F)F)CC2)cc1C#N ZINC000281349693 551087457 /nfs/dbraw/zinc/08/74/57/551087457.db2.gz UCCYANBTHVFYMI-UHFFFAOYSA-N 1 0 355.360 2.457 20 30 FEEDRO C=CC[C@@H](CC)[NH2+]Cc1ccc(OCC(=O)N2CCOCC2)c(OC)c1 ZINC000281496017 551105289 /nfs/dbraw/zinc/10/52/89/551105289.db2.gz WJZSTECSEFLRSC-QGZVFWFLSA-N 1 0 362.470 2.377 20 30 FEEDRO C#C[C@H](NC(=O)C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1)C(C)C ZINC000281521473 551108361 /nfs/dbraw/zinc/10/83/61/551108361.db2.gz LSRCKVMODKAQBY-IBGZPJMESA-N 1 0 371.481 2.264 20 30 FEEDRO C=CC[C@H](CC)NC(=O)C(=O)Nc1ccc(CN2CC[NH+](CC)CC2)cc1 ZINC000281522498 551108528 /nfs/dbraw/zinc/10/85/28/551108528.db2.gz SMBLUSRAIUUWMT-SFHVURJKSA-N 1 0 372.513 2.234 20 30 FEEDRO COc1cc(C[NH2+]CC(=O)N2CCN(c3ccccc3)CC2)ccc1C#N ZINC000281600847 551118674 /nfs/dbraw/zinc/11/86/74/551118674.db2.gz FWALOOSWWZDNLN-UHFFFAOYSA-N 1 0 364.449 2.005 20 30 FEEDRO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](CNC(=O)Nc3cccc(F)c3)C2)C1=O ZINC000282072523 551176581 /nfs/dbraw/zinc/17/65/81/551176581.db2.gz SXAYOUWRGBOKDZ-YJBOKZPZSA-N 1 0 374.460 2.446 20 30 FEEDRO COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@@H](C)[N@@H+]2CCC(=O)Nc2ccccc2C#N)O1 ZINC000282348791 551215295 /nfs/dbraw/zinc/21/52/95/551215295.db2.gz CLQRKYMBYDMHLX-PILAGYSTSA-N 1 0 371.437 2.070 20 30 FEEDRO COc1ccc(CNC(=[NH2+])NC[C@@H](O)c2cc(C)cc(C)c2)cc1OC ZINC000282741013 551265437 /nfs/dbraw/zinc/26/54/37/551265437.db2.gz XYVOHSMUIUVRCV-QGZVFWFLSA-N 1 0 357.454 2.459 20 30 FEEDRO C[C@@H](NC(=O)C(=O)NC[C@@H](c1ccccc1)[NH+](C)C)c1ccc(C#N)cc1 ZINC000283136232 551317208 /nfs/dbraw/zinc/31/72/08/551317208.db2.gz BJZDDWCFCZCLMT-BEFAXECRSA-N 1 0 364.449 2.155 20 30 FEEDRO C[C@@H](NC(=O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)c1ccc(C#N)cc1 ZINC000283691493 551410240 /nfs/dbraw/zinc/41/02/40/551410240.db2.gz XMXQYUCGXYGXRS-CYBMUJFWSA-N 1 0 356.470 2.161 20 30 FEEDRO C=C(C)Cn1c(-c2ccc[nH]2)nnc1N1CCN(Cc2cc(C)no2)CC1 ZINC000283702466 551412345 /nfs/dbraw/zinc/41/23/45/551412345.db2.gz VLAVZXGEQFOPRG-UHFFFAOYSA-N 1 0 367.457 2.468 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H](c2ccccc2)C2CC2)CC1 ZINC000283706316 551413212 /nfs/dbraw/zinc/41/32/12/551413212.db2.gz IWSWEYIYSBAHPS-LJQANCHMSA-N 1 0 355.482 2.411 20 30 FEEDRO C[C@H](NC(=O)C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1)c1ccc(C#N)cc1 ZINC000283977702 551460786 /nfs/dbraw/zinc/46/07/86/551460786.db2.gz LUZPVFOPGCFDFJ-LPHOPBHVSA-N 1 0 368.481 2.212 20 30 FEEDRO C[C@@H](NC(=O)C(=O)NCc1cccc(C[NH+](C)C)c1)c1ccc(C#N)cc1 ZINC000284054208 551475377 /nfs/dbraw/zinc/47/53/77/551475377.db2.gz QHSGNRMVQNSIRG-OAHLLOKOSA-N 1 0 364.449 2.113 20 30 FEEDRO C[C@H](NC(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)c1ccc(C#N)cc1 ZINC000284092639 551481985 /nfs/dbraw/zinc/48/19/85/551481985.db2.gz SREQYNFRQBSANT-WMLDXEAASA-N 1 0 358.486 2.218 20 30 FEEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000284117416 551486919 /nfs/dbraw/zinc/48/69/19/551486919.db2.gz CPUOVDRCZGVCTH-RTBURBONSA-N 1 0 368.481 2.040 20 30 FEEDRO C[C@@H](NC(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)c1ccc(C#N)cc1 ZINC000284170856 551497268 /nfs/dbraw/zinc/49/72/68/551497268.db2.gz YRWPSRGKEKFLLB-VQIMIIECSA-N 1 0 368.481 2.212 20 30 FEEDRO COC[C@@H](C)NC(=[NH2+])NCCCCCNC(=O)OCc1ccccc1 ZINC000284954069 551676364 /nfs/dbraw/zinc/67/63/64/551676364.db2.gz FCANQXUAGWCVQL-OAHLLOKOSA-N 1 0 350.463 2.022 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)Nc2cnn(Cc3ccc(OC)cc3)c2)CC1 ZINC000285106119 551705136 /nfs/dbraw/zinc/70/51/36/551705136.db2.gz GQDOIDGAPILSJA-UHFFFAOYSA-N 1 0 352.438 2.224 20 30 FEEDRO C=CCc1ccc(OC[C@H](O)C[NH2+][C@@H](c2nncn2C)C(C)C)c(OC)c1 ZINC000285305504 551735111 /nfs/dbraw/zinc/73/51/11/551735111.db2.gz HRAGZPVCTSMUPA-VQIMIIECSA-N 1 0 374.485 2.279 20 30 FEEDRO CC[C@@H](CC#N)NC(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1c1cnn(C)c1 ZINC000285354110 551743046 /nfs/dbraw/zinc/74/30/46/551743046.db2.gz DNYPMJXFROIBJR-ZCNNSNEGSA-N 1 0 365.481 2.444 20 30 FEEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH2+][C@H]1CCC[C@H]1CCO ZINC000285585269 551778869 /nfs/dbraw/zinc/77/88/69/551778869.db2.gz BEMOAPPIRYHCST-ULQDDVLXSA-N 1 0 359.470 2.471 20 30 FEEDRO N#CCC[C@@H](C#N)CN1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000286072025 551845615 /nfs/dbraw/zinc/84/56/15/551845615.db2.gz RXWFGYUZKQCYPQ-SFTDATJTSA-N 1 0 351.498 2.322 20 30 FEEDRO COCC[NH+](CCOC)C1CCN(c2ccc([N+](=O)[O-])c(C#N)c2)CC1 ZINC000286530445 551896718 /nfs/dbraw/zinc/89/67/18/551896718.db2.gz YNOIJAZIVISFCD-UHFFFAOYSA-N 1 0 362.430 2.030 20 30 FEEDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000286743376 551920973 /nfs/dbraw/zinc/92/09/73/551920973.db2.gz OOAKFMAROVDLDM-WFASDCNBSA-N 1 0 353.875 2.459 20 30 FEEDRO C=CCOc1ccccc1CNC(=O)C(=O)NC1CC[NH+](CC(=C)C)CC1 ZINC000286819944 551929405 /nfs/dbraw/zinc/92/94/05/551929405.db2.gz WGBIWNUGCGDHPK-UHFFFAOYSA-N 1 0 371.481 2.024 20 30 FEEDRO CCc1cccc(CC)c1NC(=[NH2+])NCc1ccccc1S(N)(=O)=O ZINC000286970761 551946240 /nfs/dbraw/zinc/94/62/40/551946240.db2.gz CBXVZSQIAAXECM-UHFFFAOYSA-N 1 0 360.483 2.386 20 30 FEEDRO C[C@H](O)C[NH+]1CCN(c2c(C#N)cnc3c(F)c(F)c(F)cc32)CC1 ZINC000287030996 551953807 /nfs/dbraw/zinc/95/38/07/551953807.db2.gz WBNZXVWIHCUXKU-JTQLQIEISA-N 1 0 350.344 2.027 20 30 FEEDRO CCN(CCC[NH+](C)C)S(=O)(=O)c1cccc(Br)c1C#N ZINC000287458719 552006692 /nfs/dbraw/zinc/00/66/92/552006692.db2.gz RNLYUVUZPIUOGY-UHFFFAOYSA-N 1 0 374.304 2.283 20 30 FEEDRO CC1CC[NH+](C2CCC(NS(=O)(=O)c3ccc(C#N)o3)CC2)CC1 ZINC000287790958 552047200 /nfs/dbraw/zinc/04/72/00/552047200.db2.gz LDLCJAXFWTYBRH-UHFFFAOYSA-N 1 0 351.472 2.473 20 30 FEEDRO CC(C)Oc1ccc([C@H](CNC(=O)N2CCO[C@H](C#N)C2)[NH+](C)C)cc1 ZINC000287881948 552058238 /nfs/dbraw/zinc/05/82/38/552058238.db2.gz FPCUZVHNYLAJDR-MSOLQXFVSA-N 1 0 360.458 2.010 20 30 FEEDRO C[NH+](C)CCCOc1cnccc1CNc1nccc(C#N)c1[N+](=O)[O-] ZINC000288178684 552105423 /nfs/dbraw/zinc/10/54/23/552105423.db2.gz IXDDPEDZDOCCTR-UHFFFAOYSA-N 1 0 356.386 2.199 20 30 FEEDRO C[C@H]1[C@H](NC(=O)C(=O)Nc2cccc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000288536171 552170864 /nfs/dbraw/zinc/17/08/64/552170864.db2.gz XQLQSMGJHSUIJX-HNAYVOBHSA-N 1 0 362.433 2.276 20 30 FEEDRO CCCC[N@H+](C)C[C@H](C)NC(=O)C(=O)Nc1ccccc1O[C@H](C)C#N ZINC000288866303 552226914 /nfs/dbraw/zinc/22/69/14/552226914.db2.gz QHBLISDHOJDMJX-LSDHHAIUSA-N 1 0 360.458 2.153 20 30 FEEDRO C=CCN1CC[C@@H]([N@H+](C)C[C@H](O)Cc2ccccc2C(F)(F)F)C1=O ZINC000500015347 561564080 /nfs/dbraw/zinc/56/40/80/561564080.db2.gz PHMBULARWRWZDF-GDBMZVCRSA-N 1 0 356.388 2.328 20 30 FEEDRO CC(C)(CCC#N)CNC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000500192886 561567533 /nfs/dbraw/zinc/56/75/33/561567533.db2.gz YZLBCDNJHZFZHA-SJORKVTESA-N 1 0 350.507 2.383 20 30 FEEDRO O=c1nc([C@@H]2CCCN(CC#Cc3ccc(OC(F)(F)F)cc3)C2)[nH][nH]1 ZINC000289458438 552324697 /nfs/dbraw/zinc/32/46/97/552324697.db2.gz PVGCTHCWNAKWBX-CYBMUJFWSA-N 1 0 366.343 2.228 20 30 FEEDRO C=CCn1c(-c2cnn(C)c2)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC000289596590 552347037 /nfs/dbraw/zinc/34/70/37/552347037.db2.gz IIPULKXLZMCPDN-UHFFFAOYSA-N 1 0 355.490 2.319 20 30 FEEDRO C=CCCCNC(=O)C(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000289874857 552392952 /nfs/dbraw/zinc/39/29/52/552392952.db2.gz WSJMWCUTXVYVGS-UHFFFAOYSA-N 1 0 358.486 2.229 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cc(F)c(F)cc2OC)CC1 ZINC000290170185 552437799 /nfs/dbraw/zinc/43/77/99/552437799.db2.gz FCGUOZWQWVDLSA-UHFFFAOYSA-N 1 0 367.396 2.069 20 30 FEEDRO C=C[C@](C)(CCOC)c1nc(-c2cc(N3CC[NH+](C)CC3)ccn2)no1 ZINC000290187734 552440320 /nfs/dbraw/zinc/44/03/20/552440320.db2.gz WATDUDOKZZQBMG-LJQANCHMSA-N 1 0 357.458 2.364 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1cn(C2CCOCC2)nn1)C(C)C ZINC000290218896 552444154 /nfs/dbraw/zinc/44/41/54/552444154.db2.gz WCYUKPKFUXZZBT-SFHVURJKSA-N 1 0 361.490 2.058 20 30 FEEDRO C[C@H](Oc1ccccc1C#N)C(=O)N(CC[NH+](C)C)Cc1ccccn1 ZINC000500777859 561581999 /nfs/dbraw/zinc/58/19/99/561581999.db2.gz YUVWXARMDZWWEX-INIZCTEOSA-N 1 0 352.438 2.311 20 30 FEEDRO N#Cc1ccc(NC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)cc1F ZINC000290839173 552547075 /nfs/dbraw/zinc/54/70/75/552547075.db2.gz QBIUIDJPSYPIHZ-MRXNPFEDSA-N 1 0 358.417 2.113 20 30 FEEDRO C[C@@H](NC(=O)C(=O)Nc1ccc(C#N)c(F)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000290859186 552551186 /nfs/dbraw/zinc/55/11/86/552551186.db2.gz RRXONABOZKOOQJ-HIFRSBDPSA-N 1 0 372.444 2.405 20 30 FEEDRO C[NH+](C)CCCC1CCN(C(=O)C(=O)Nc2ccc(C#N)c(F)c2)CC1 ZINC000290888135 552556020 /nfs/dbraw/zinc/55/60/20/552556020.db2.gz UOGUEZRUVJNDAD-UHFFFAOYSA-N 1 0 360.433 2.216 20 30 FEEDRO C=CCN(CC=C)C(=O)[C@H](C)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000501116438 561590452 /nfs/dbraw/zinc/59/04/52/561590452.db2.gz RQUKYDDCSGVQFB-AQNXPRMDSA-N 1 0 362.562 2.066 20 30 FEEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH2+][C@H](C)Cn1cccn1 ZINC000501236640 561592928 /nfs/dbraw/zinc/59/29/28/561592928.db2.gz SRSAMNXVHSBDMV-CVEARBPZSA-N 1 0 355.442 2.205 20 30 FEEDRO N#Cc1ccc(N2CC[C@H]([N@@H+]3CC[C@](CO)(c4ccccc4)C3)C2=O)cc1 ZINC000291898667 552673019 /nfs/dbraw/zinc/67/30/19/552673019.db2.gz RBAYAXLORPXEKN-UNMCSNQZSA-N 1 0 361.445 2.300 20 30 FEEDRO N#Cc1ccc(O[C@@H]2CC[N@@H+](C[C@H](O)COCc3ccccc3F)C2)nc1 ZINC000292096137 552693378 /nfs/dbraw/zinc/69/33/78/552693378.db2.gz FXPICIPBWBOWPO-ZWKOTPCHSA-N 1 0 371.412 2.123 20 30 FEEDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)C1 ZINC000292601888 552741993 /nfs/dbraw/zinc/74/19/93/552741993.db2.gz NCYGXYVRMASBJM-ZWKOTPCHSA-N 1 0 371.485 2.094 20 30 FEEDRO CC(C)(CNC(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1)C[NH+]1CCCC1 ZINC000292812486 552760679 /nfs/dbraw/zinc/76/06/79/552760679.db2.gz YEWZTSFYLGHVSN-KRWDZBQOSA-N 1 0 371.485 2.238 20 30 FEEDRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)C(=O)Nc2sccc2C#N)C1 ZINC000292970178 552775986 /nfs/dbraw/zinc/77/59/86/552775986.db2.gz GSZGRMZKDNXAQT-KBPBESRZSA-N 1 0 362.499 2.433 20 30 FEEDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C(=O)Nc2ccc(C#N)cn2)C1 ZINC000293538230 552833409 /nfs/dbraw/zinc/83/34/09/552833409.db2.gz XOPNLDCUHIIBMT-NVXWUHKLSA-N 1 0 369.469 2.005 20 30 FEEDRO C=CCN(CCc1ccco1)C(=O)C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000501638566 561602650 /nfs/dbraw/zinc/60/26/50/561602650.db2.gz KRGZBVUYPBBLMT-GOSISDBHSA-N 1 0 373.497 2.217 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)NC2CC[NH+](C3CCCC3)CC2)cc1F ZINC000293605583 552839934 /nfs/dbraw/zinc/83/99/34/552839934.db2.gz YAIAZFFKOYQWIO-UHFFFAOYSA-N 1 0 351.447 2.383 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)[C@H]1CCCN(C(=O)Nc2cccc(C)c2)C1 ZINC000293989876 552873355 /nfs/dbraw/zinc/87/33/55/552873355.db2.gz NUOWZOOXIQETOP-SFHVURJKSA-N 1 0 370.497 2.310 20 30 FEEDRO C[C@H](CNS(=O)(=O)Cc1ccc(F)cc1C#N)[N@@H+]1CCC[C@@H](C)C1 ZINC000294338694 552898110 /nfs/dbraw/zinc/89/81/10/552898110.db2.gz JRMVCEVEORUYQX-ZIAGYGMSSA-N 1 0 353.463 2.237 20 30 FEEDRO COc1cc(CC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)ccc1O ZINC000294643305 552923008 /nfs/dbraw/zinc/92/30/08/552923008.db2.gz ZMDIWKDYSHDSFW-UHFFFAOYSA-N 1 0 367.449 2.405 20 30 FEEDRO N#Cc1ccc(NC(=O)C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)nc1 ZINC000294706699 552928371 /nfs/dbraw/zinc/92/83/71/552928371.db2.gz JIZOGZQHCIVBJJ-UHFFFAOYSA-N 1 0 363.421 2.169 20 30 FEEDRO C#CCCOc1ccc(C(=O)N2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)cc1 ZINC000294720895 552929323 /nfs/dbraw/zinc/92/93/23/552929323.db2.gz VCYFJSMLAHKGTR-FQEVSTJZSA-N 1 0 369.509 2.331 20 30 FEEDRO C[C@H]1CN(C(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)CC[N@@H+](C2CC2)C1 ZINC000295260501 552977652 /nfs/dbraw/zinc/97/76/52/552977652.db2.gz FZBCHMLQSKTCJN-NVXWUHKLSA-N 1 0 370.472 2.466 20 30 FEEDRO N#Cc1ccc(C[N@H+]2CCCN(c3ncc(C#N)cc3[N+](=O)[O-])CC2)cc1 ZINC000295623332 553035598 /nfs/dbraw/zinc/03/55/98/553035598.db2.gz ATLOJGGGPORLAE-UHFFFAOYSA-N 1 0 362.393 2.445 20 30 FEEDRO C[NH+](C)CCCOc1ccc(CNS(=O)(=O)CC(C)(C)CC#N)cc1 ZINC000295628510 553035865 /nfs/dbraw/zinc/03/58/65/553035865.db2.gz FRUSGJPFTWROTD-UHFFFAOYSA-N 1 0 367.515 2.376 20 30 FEEDRO C[C@H]1CN(C(=O)C(=O)Nc2cc(C#N)ccc2Cl)CC[N@@H+](C2CC2)C1 ZINC000295945928 553079394 /nfs/dbraw/zinc/07/93/94/553079394.db2.gz FAKXIKDERDEINX-GFCCVEGCSA-N 1 0 360.845 2.093 20 30 FEEDRO CCN(C)C(=O)[C@@H]([NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1)C(C)C ZINC000296114448 553106642 /nfs/dbraw/zinc/10/66/42/553106642.db2.gz FEDWEFOMTBAGAQ-INIZCTEOSA-N 1 0 350.850 2.243 20 30 FEEDRO CO[C@@H]1[C@H](C)[C@H]([NH2+]CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1(C)C ZINC000296159684 553114289 /nfs/dbraw/zinc/11/42/89/553114289.db2.gz UMKGZTQMTWAKAA-JEBQAFNWSA-N 1 0 367.453 2.332 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC[C@H](Cn2ccnn2)C1)C(C)C ZINC000502629237 561622463 /nfs/dbraw/zinc/62/24/63/561622463.db2.gz AYXTTWPSRAZZRO-RBUKOAKNSA-N 1 0 374.533 2.398 20 30 FEEDRO N#Cc1ccc(OC(F)F)c(NC(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)c1 ZINC000296567979 553181027 /nfs/dbraw/zinc/18/10/27/553181027.db2.gz SRJWEIPIDKRWRY-CYBMUJFWSA-N 1 0 368.384 2.128 20 30 FEEDRO Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2CC[C@H](OC(=O)N(C)C)C2)cc1 ZINC000296590656 553183922 /nfs/dbraw/zinc/18/39/22/553183922.db2.gz FLSSKBDCISOUCX-WMZOPIPTSA-N 1 0 372.469 2.403 20 30 FEEDRO C[C@H]1CN=C(N2CCN(c3ncc(Br)cc3C#N)CC2)S1 ZINC000297280655 553272769 /nfs/dbraw/zinc/27/27/69/553272769.db2.gz XHQBEVXTNJIMKW-JTQLQIEISA-N 1 0 366.288 2.329 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)N1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 ZINC000297484317 553298454 /nfs/dbraw/zinc/29/84/54/553298454.db2.gz MUUIWYAKUJCMPE-AABGKKOBSA-N 1 0 355.482 2.156 20 30 FEEDRO N#Cc1ccccc1NC(=O)CC[NH2+][C@]1(CO)CCOc2ccccc21 ZINC000298633498 553451835 /nfs/dbraw/zinc/45/18/35/553451835.db2.gz WAGXOSQOJYOIPU-FQEVSTJZSA-N 1 0 351.406 2.147 20 30 FEEDRO C=CCN(C(=O)c1ccc(C[NH+](CC)CC)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000299143811 553521345 /nfs/dbraw/zinc/52/13/45/553521345.db2.gz IMUUFVXCCCPXDN-GOSISDBHSA-N 1 0 364.511 2.344 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)Nc2ccc(CN3C(=O)CSC3=O)cc2)CC1 ZINC000299582160 553584394 /nfs/dbraw/zinc/58/43/94/553584394.db2.gz CBAPJIZUYRMQNY-UHFFFAOYSA-N 1 0 371.462 2.166 20 30 FEEDRO CC[NH+](CC)CC(=O)N1CCN(c2cc(C#N)nc3ccccc32)CC1 ZINC000301398087 553648414 /nfs/dbraw/zinc/64/84/14/553648414.db2.gz HHFMIFVXKDMQDL-UHFFFAOYSA-N 1 0 351.454 2.097 20 30 FEEDRO N#Cc1ccnc(N2CCC(CCC[NH+]3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000302021467 553698187 /nfs/dbraw/zinc/69/81/87/553698187.db2.gz IHSVUJKYUXKSBK-UHFFFAOYSA-N 1 0 359.430 2.190 20 30 FEEDRO Cc1nnc(N(C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c(C#N)c1C ZINC000302477321 553717957 /nfs/dbraw/zinc/71/79/57/553717957.db2.gz VPKWWSWMBBYQMG-FQEVSTJZSA-N 1 0 351.454 2.038 20 30 FEEDRO [NH2+]=C(NCC[S@@](=O)Cc1ccccc1)N[C@@H]1CCOc2ccccc21 ZINC000304756559 553747639 /nfs/dbraw/zinc/74/76/39/553747639.db2.gz NUCSJOJBTRJKPF-CRICUBBOSA-N 1 0 357.479 2.363 20 30 FEEDRO CC(C)OCCCCNC1=[NH+]C[C@@H]2CN(C(=O)OC(C)(C)C)CCN12 ZINC000305819744 553748231 /nfs/dbraw/zinc/74/82/31/553748231.db2.gz OCSYYZAJEBCONS-OAHLLOKOSA-N 1 0 354.495 2.072 20 30 FEEDRO N#Cc1ccccc1OC[C@@H](O)C[NH2+][C@@H]1CCN(Cc2ccccc2)C1 ZINC000311975022 553755483 /nfs/dbraw/zinc/75/54/83/553755483.db2.gz NOSWNCXFNBVDIC-UXHICEINSA-N 1 0 351.450 2.162 20 30 FEEDRO CC[C@H](C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)[NH+](CC)CC ZINC000505668014 561676951 /nfs/dbraw/zinc/67/69/51/561676951.db2.gz COTRCIOJHUTRKO-QZTJIDSGSA-N 1 0 356.470 2.290 20 30 FEEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+]CCc2ccc([N+](=O)[O-])cc2)c1 ZINC000327042370 553785231 /nfs/dbraw/zinc/78/52/31/553785231.db2.gz PXUGOAZVDCJOAJ-UHFFFAOYSA-N 1 0 359.407 2.072 20 30 FEEDRO CC[N@@H+]1CCC[C@@H](CN(C)C(=O)c2cc(C#N)c[nH]2)[C@@H]1c1cnn(C)c1 ZINC000328619291 553797327 /nfs/dbraw/zinc/79/73/27/553797327.db2.gz FRDOKTDCGNDOTC-MAUKXSAKSA-N 1 0 354.458 2.165 20 30 FEEDRO CN(C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1)C(=O)NCC[C@@H]1CCCO1 ZINC000328631693 553799477 /nfs/dbraw/zinc/79/94/77/553799477.db2.gz RICFJTWNBWOJRB-RYQLBKOJSA-N 1 0 363.506 2.218 20 30 FEEDRO C[C@H](NC(=O)C[NH2+][C@@H]1CCCC12CCOCC2)C(=O)N1CCCCC1 ZINC000328660129 553803867 /nfs/dbraw/zinc/80/38/67/553803867.db2.gz UWFDDAXWZACHMB-JKSUJKDBSA-N 1 0 351.491 2.283 20 30 FEEDRO O=C(NCCc1c[nH]c2ncccc12)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000328659963 553803876 /nfs/dbraw/zinc/80/38/76/553803876.db2.gz UMXBKJUSEKRRLU-OAHLLOKOSA-N 1 0 371.485 2.110 20 30 FEEDRO O=C(CCC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1)NC1CCCC1 ZINC000328755363 553816978 /nfs/dbraw/zinc/81/69/78/553816978.db2.gz FFTQANHCVCDQDK-MRXNPFEDSA-N 1 0 351.491 2.237 20 30 FEEDRO C[C@H](CNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)C[NH+]1CCCCC1 ZINC000505793595 561681091 /nfs/dbraw/zinc/68/10/91/561681091.db2.gz VSOVHSNCVDMPSF-DNVCBOLYSA-N 1 0 351.491 2.486 20 30 FEEDRO C=CCN1CC[C@@H]([N@@H+]2C[C@H]3CCC[C@@]3(c3nc(CC4CC4)no3)C2)C1=O ZINC000328779017 553821129 /nfs/dbraw/zinc/82/11/29/553821129.db2.gz IUIMAVHPHBNTBQ-JXXFODFXSA-N 1 0 356.470 2.163 20 30 FEEDRO O=C(N[C@H]1CCCC12CCOCC2)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000328819655 553827385 /nfs/dbraw/zinc/82/73/85/553827385.db2.gz OMAHTXGXIMFOMB-SQNIBIBYSA-N 1 0 365.518 2.217 20 30 FEEDRO C=CCCc1ccccc1NC(=O)C(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000505823185 561682041 /nfs/dbraw/zinc/68/20/41/561682041.db2.gz GIPMNJMAOSSJLO-IAGOWNOFSA-N 1 0 373.497 2.359 20 30 FEEDRO O=C(NCc1ccc(N2CCOCC2)nc1)c1coc(C2CCOCC2)n1 ZINC000328831552 553829551 /nfs/dbraw/zinc/82/95/51/553829551.db2.gz VHLAGPABQYQCQY-UHFFFAOYSA-N 1 0 372.425 2.305 20 30 FEEDRO CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NC[C@H]1CCCn2cc(C)nc21 ZINC000328836587 553830011 /nfs/dbraw/zinc/83/00/11/553830011.db2.gz SQLVXJDYBNSPNO-HUUCEWRRSA-N 1 0 368.503 2.230 20 30 FEEDRO C[C@H](C(=O)Nc1ccc2c(c1)OCO2)[N@@H+]1CCC[C@@H]1[C@@H]1COCC[C@@H]1O ZINC000328844437 553831308 /nfs/dbraw/zinc/83/13/08/553831308.db2.gz VDSQNIDRACGQLN-BVUBDWEXSA-N 1 0 362.426 2.254 20 30 FEEDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1ccnn1C ZINC000328890974 553839739 /nfs/dbraw/zinc/83/97/39/553839739.db2.gz SDMKYDBXDSYAKY-IIDMSEBBSA-N 1 0 361.490 2.161 20 30 FEEDRO CN1CCOC[C@H]1C(=O)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000328928217 553846347 /nfs/dbraw/zinc/84/63/47/553846347.db2.gz GJOAQCLTUUDTEA-KRWDZBQOSA-N 1 0 360.458 2.352 20 30 FEEDRO CCn1c2ccc(C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@H]34)cc2[nH]c(=O)c1=O ZINC000328939566 553848970 /nfs/dbraw/zinc/84/89/70/553848970.db2.gz RZFHPSXAEUNGTN-UKRRQHHQSA-N 1 0 356.426 2.053 20 30 FEEDRO CC(C)N1C(=O)N[C@@H]2CN(C(=O)NCC[C@@H](C)[NH+]3CCCCC3)CC[C@@H]21 ZINC000329000610 553862060 /nfs/dbraw/zinc/86/20/60/553862060.db2.gz HMGZMZVRFQVGFV-ZACQAIPSSA-N 1 0 365.522 2.246 20 30 FEEDRO C[NH+](C)C1(CNC(=O)N2CCC[C@@H]2[C@@H]2COCC[C@]2(C)O)CCCCC1 ZINC000329002097 553862111 /nfs/dbraw/zinc/86/21/11/553862111.db2.gz XSWCFZJYVBJWFC-SCTDSRPQSA-N 1 0 367.534 2.417 20 30 FEEDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@H]1COc2cc(OC)ccc2C1 ZINC000329015127 553865154 /nfs/dbraw/zinc/86/51/54/553865154.db2.gz PZSAIURKDUPOEC-ZACQAIPSSA-N 1 0 359.470 2.471 20 30 FEEDRO CO[C@@H]1CCC[C@@H]1[C@@H]1COCCN1C(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000329033808 553868286 /nfs/dbraw/zinc/86/82/86/553868286.db2.gz MDSOEFMGIMRSTJ-XWTMOSNGSA-N 1 0 353.507 2.291 20 30 FEEDRO COCC[N@@H+]1CC[C@H](NC(=O)N2CCC[C@@H]2[C@@H]2CCCC[C@@]2(C)O)C1 ZINC000329084658 553877636 /nfs/dbraw/zinc/87/76/36/553877636.db2.gz TXBGTVQEVRAJDY-IMBTUZDBSA-N 1 0 353.507 2.027 20 30 FEEDRO C[NH+]1CCC2(CCCN2C(=O)NCCc2nnc3n2CCCCC3)CC1 ZINC000329086222 553877852 /nfs/dbraw/zinc/87/78/52/553877852.db2.gz URCUDALPGNGVHW-UHFFFAOYSA-N 1 0 360.506 2.021 20 30 FEEDRO CC(C)[C@@H]1C[C@H](NC(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CCO1 ZINC000329103277 553880899 /nfs/dbraw/zinc/88/08/99/553880899.db2.gz BZWRXQVJPCVLAI-JQHSSLGASA-N 1 0 353.507 2.195 20 30 FEEDRO CC(=O)NC1CCC(NC(=O)NCC2([NH+]3CCCC3)CCOCC2)CC1 ZINC000329106712 553881553 /nfs/dbraw/zinc/88/15/53/553881553.db2.gz HNCDEFNKXQJSBA-UHFFFAOYSA-N 1 0 366.506 2.423 20 30 FEEDRO C[C@H](CNC(=O)N[C@@H]1CCO[C@@]2(CCOC2)C1)[N@@H+]1CCc2ccccc2C1 ZINC000329129130 553885150 /nfs/dbraw/zinc/88/51/50/553885150.db2.gz VUROPDCMVVHUIT-BSIFCXSSSA-N 1 0 373.497 2.275 20 30 FEEDRO CC(=O)N1CC[C@@H](CN(C)C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000329137566 553887519 /nfs/dbraw/zinc/88/75/19/553887519.db2.gz HRGPKQZZYUBOQC-SFHVURJKSA-N 1 0 373.501 2.012 20 30 FEEDRO Cc1ccc(O[C@H](C)C(=O)NC2CC[NH+]([C@@H]3CCN(C)C3=O)CC2)cc1 ZINC000329168140 553893819 /nfs/dbraw/zinc/89/38/19/553893819.db2.gz IYCWXJXFPZYQHS-CRAIPNDOSA-N 1 0 359.470 2.414 20 30 FEEDRO CC[NH+]1CCC(NC(=O)CN2CCN(c3nc4ccccc4o3)CC2)CC1 ZINC000329167031 553894117 /nfs/dbraw/zinc/89/41/17/553894117.db2.gz IFTDMSMHLGCOTB-UHFFFAOYSA-N 1 0 371.485 2.391 20 30 FEEDRO CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)N[C@@H]2CCC[C@@H]3OCC[C@H]32)C1 ZINC000329171024 553894284 /nfs/dbraw/zinc/89/42/84/553894284.db2.gz JWQWGYULPDTHKF-TXTZMMAHSA-N 1 0 351.491 2.043 20 30 FEEDRO CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)[C@@H](C)NC(=O)C2CCCC2)C1 ZINC000329197649 553900634 /nfs/dbraw/zinc/90/06/34/553900634.db2.gz UITUCXQUWDPILV-PVAVHDDUSA-N 1 0 351.491 2.233 20 30 FEEDRO O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)N1CCC[C@H]1C1CCOCC1 ZINC000329219666 553905408 /nfs/dbraw/zinc/90/54/08/553905408.db2.gz ABQDXQZSDDBLAL-LPHOPBHVSA-N 1 0 365.518 2.292 20 30 FEEDRO O=C(CC1CCCC1)NCC(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000329268926 553914247 /nfs/dbraw/zinc/91/42/47/553914247.db2.gz DYFMQVRCEKEEJT-UHFFFAOYSA-N 1 0 351.491 2.094 20 30 FEEDRO CO[C@H]1C[C@@H](CN(C)C(=O)N[C@@H]2CCC(=O)N[C@H]2C(C)(C)C)[N@H+](C)C1 ZINC000329364663 553933325 /nfs/dbraw/zinc/93/33/25/553933325.db2.gz JPEQZCUNKZRSDP-TTZDDIAXSA-N 1 0 354.495 2.085 20 30 FEEDRO O=C(NCC1([NH+]2CCCCC2)CCOCC1)c1csc(NC2CC2)n1 ZINC000329438371 553947149 /nfs/dbraw/zinc/94/71/49/553947149.db2.gz KFJVWJIQNAYOBP-UHFFFAOYSA-N 1 0 364.515 3.057 20 30 FEEDRO CN1C[C@H](NC(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)CCC1=O ZINC000329460892 553951204 /nfs/dbraw/zinc/95/12/04/553951204.db2.gz SEFBGFOUBSVERA-QZTJIDSGSA-N 1 0 358.486 2.166 20 30 FEEDRO Cc1cc(N2CCC[C@@H](NC(=O)N(C)C3C[C@H]4CC[C@@H](C3)[N@H+]4C)C2)n(C)n1 ZINC000329480380 553954329 /nfs/dbraw/zinc/95/43/29/553954329.db2.gz CXMXKWPPIRPUCU-HRBLRVMOSA-N 1 0 374.533 2.168 20 30 FEEDRO CC[N@@H+]1C[C@H](C)N(C(=O)N[C@H]2CCO[C@@H]2c2ccc(OC)nc2)C[C@@H]1C ZINC000329482553 553954892 /nfs/dbraw/zinc/95/48/92/553954892.db2.gz PYWZQUIYMKOHBF-ILXVDBEPSA-N 1 0 362.474 2.249 20 30 FEEDRO O=C(NC1CC1)N[C@@H]1CCN(C(=O)NC2CC[NH+](C3CCCC3)CC2)C1 ZINC000329508306 553959502 /nfs/dbraw/zinc/95/95/02/553959502.db2.gz JGTRLASACBMGDM-MRXNPFEDSA-N 1 0 363.506 2.048 20 30 FEEDRO Cc1nc(CCNC(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)cs1 ZINC000329510454 553960221 /nfs/dbraw/zinc/96/02/21/553960221.db2.gz BSPMZYRGPDTDPA-SJORKVTESA-N 1 0 366.531 2.266 20 30 FEEDRO Cc1cc(N2CCC(NC(=O)N(C)C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)n[nH]1 ZINC000329535354 553963374 /nfs/dbraw/zinc/96/33/74/553963374.db2.gz LIOPKEQYZYPTCR-SJPCQFCGSA-N 1 0 360.506 2.158 20 30 FEEDRO O=C(NCC1([NH+]2CCSCC2)CCCCC1)N1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000329577725 553970569 /nfs/dbraw/zinc/97/05/69/553970569.db2.gz SVPBHKRIVXOCDO-BBWFWOEESA-N 1 0 367.559 2.355 20 30 FEEDRO COCC[C@@H]1COCCN1C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000329648458 553981957 /nfs/dbraw/zinc/98/19/57/553981957.db2.gz AYYSQESVLGXBTI-GOSISDBHSA-N 1 0 353.507 2.435 20 30 FEEDRO CC[C@@H]1C[C@H](C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)CC(=O)N1 ZINC000329651347 553982913 /nfs/dbraw/zinc/98/29/13/553982913.db2.gz CUKRDKIKQHEXIF-JKSUJKDBSA-N 1 0 359.474 2.435 20 30 FEEDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000329717650 553994690 /nfs/dbraw/zinc/99/46/90/553994690.db2.gz XUTCVIVGPITOEU-XMTFNYHQSA-N 1 0 353.507 2.027 20 30 FEEDRO CC[C@H](C)[C@H](NC(=O)N1CCCC1)C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000329723014 553995503 /nfs/dbraw/zinc/99/55/03/553995503.db2.gz CQEWQZXWFHTUFI-BBWFWOEESA-N 1 0 350.507 2.108 20 30 FEEDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N2C[C@@H]3CC[C@H](O)[C@@H]3C2)CC1 ZINC000329749184 553999658 /nfs/dbraw/zinc/99/96/58/553999658.db2.gz HHQBJKKHVMDQOX-HYEGPXJVSA-N 1 0 358.486 2.224 20 30 FEEDRO Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC000329753925 554000319 /nfs/dbraw/zinc/00/03/19/554000319.db2.gz XBBZDFSKPSUUOX-SFHVURJKSA-N 1 0 366.469 2.896 20 30 FEEDRO CC[C@H](C)[C@H](NC(=O)N1CCCC1)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000329771422 554002883 /nfs/dbraw/zinc/00/28/83/554002883.db2.gz GTLZBLCWMCBQPH-BZSNNMDCSA-N 1 0 364.534 2.355 20 30 FEEDRO C[C@@H](C(=O)NC(=O)NC1CCCCC1)[N@@H+]1CC[C@@H](N2CCOCC2)[C@H]1C ZINC000329777557 554004203 /nfs/dbraw/zinc/00/42/03/554004203.db2.gz KOAKLLYCWAUDQY-HLLBOEOZSA-N 1 0 366.506 2.373 20 30 FEEDRO Cc1nc(CNC(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)sc1C ZINC000329785994 554005614 /nfs/dbraw/zinc/00/56/14/554005614.db2.gz XLVOGLJPGQMARR-AWEZNQCLSA-N 1 0 352.504 2.264 20 30 FEEDRO CCO[C@@H]1C[C@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)[C@@]12CCCO2 ZINC000329789440 554006521 /nfs/dbraw/zinc/00/65/21/554006521.db2.gz SKUIKKHLHCVQPG-BXBRNDKNSA-N 1 0 351.491 2.232 20 30 FEEDRO Cn1cc(N2CCC[C@H](NC(=O)N3CCC([NH+]4CCCCC4)CC3)C2)cn1 ZINC000329793657 554006828 /nfs/dbraw/zinc/00/68/28/554006828.db2.gz BHXYRFLHCRPZMP-KRWDZBQOSA-N 1 0 374.533 2.253 20 30 FEEDRO C[C@@H]1C[C@@H](NC(=O)N2CCC[NH+](Cc3ccc(C#N)cc3)CC2)CC[N@@H+]1C ZINC000329818336 554011489 /nfs/dbraw/zinc/01/14/89/554011489.db2.gz XALCJMVJEUSQLF-XLIONFOSSA-N 1 0 369.513 2.463 20 30 FEEDRO Cn1nnc2c1C[C@H](C(=O)NCC1([NH+]3CCSCC3)CCCC1)CC2 ZINC000329831752 554014482 /nfs/dbraw/zinc/01/44/82/554014482.db2.gz KDNMNNQBFUZMBP-CQSZACIVSA-N 1 0 363.531 2.238 20 30 FEEDRO CC1CC[NH+](C2CCC(NC(=O)N[C@@H]3CCCS(=O)(=O)C3)CC2)CC1 ZINC000329860796 554020747 /nfs/dbraw/zinc/02/07/47/554020747.db2.gz XPABNTGUDLNCAF-AQFXKWCLSA-N 1 0 371.547 2.110 20 30 FEEDRO CC(=O)N1CCC(NC(=O)CC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000329888230 554025290 /nfs/dbraw/zinc/02/52/90/554025290.db2.gz YOQVXVZBTFJUAD-UHFFFAOYSA-N 1 0 358.486 2.166 20 30 FEEDRO COc1ccc(Cl)cc1NC(=O)[C@H](C)N1C[C@H]2OCCN(C)[C@H]2C1 ZINC000329968639 554041074 /nfs/dbraw/zinc/04/10/74/554041074.db2.gz UAKZJZFZEAADKX-HZUKXOBISA-N 1 0 353.850 2.340 20 30 FEEDRO CCN1CCN(C(=O)NC[C@H](C)[NH+]2CCC(C)CC2)C[C@H]1c1ncc[nH]1 ZINC000329973687 554042413 /nfs/dbraw/zinc/04/24/13/554042413.db2.gz WYGNJTFQICCZAU-IRXDYDNUSA-N 1 0 362.522 2.123 20 30 FEEDRO Cc1nn(C)c(-n2ccnc2C)c1C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000329992818 554045747 /nfs/dbraw/zinc/04/57/47/554045747.db2.gz KSKMQUXUSJZSTE-UHFFFAOYSA-N 1 0 356.474 2.402 20 30 FEEDRO C[C@H](CNC(=O)N1C[C@]2(CCOC2)OC(C)(C)C1)C[NH+]1CCCCC1 ZINC000329996414 554046072 /nfs/dbraw/zinc/04/60/72/554046072.db2.gz OVVRVADXYMSMMS-APWZRJJASA-N 1 0 353.507 2.292 20 30 FEEDRO CC(C)(CNC(=O)N1C[C@]2(CCOC2)OC(C)(C)C1)C[NH+]1CCCC1 ZINC000329998666 554046687 /nfs/dbraw/zinc/04/66/87/554046687.db2.gz SSQKSNLMISBHRW-IBGZPJMESA-N 1 0 353.507 2.292 20 30 FEEDRO CCc1nnc(-c2ccc(NC(=O)NCC3(O)CC[NH+](C)CC3)cc2)o1 ZINC000329998241 554046796 /nfs/dbraw/zinc/04/67/96/554046796.db2.gz RYZSBNHGXIEGLP-UHFFFAOYSA-N 1 0 359.430 2.082 20 30 FEEDRO Cn1cc(-c2ncc(C(=O)NC[C@@]3([NH+](C)C)CCSC3)s2)cn1 ZINC000330053238 554056086 /nfs/dbraw/zinc/05/60/86/554056086.db2.gz QDWYSDNIWZFXIV-HNNXBMFYSA-N 1 0 351.501 2.286 20 30 FEEDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)N[C@@H]2CC(=O)N(C)C2)CC1 ZINC000330056191 554056194 /nfs/dbraw/zinc/05/61/94/554056194.db2.gz VMDWWZAPZAQOMJ-NVXWUHKLSA-N 1 0 350.507 2.108 20 30 FEEDRO CC(C)(CNC(=O)N1CCC(N2CCCCC2=O)CC1)C[NH+]1CCCC1 ZINC000330061444 554057101 /nfs/dbraw/zinc/05/71/01/554057101.db2.gz OHEHAQIVJHRDAA-UHFFFAOYSA-N 1 0 364.534 2.499 20 30 FEEDRO CC(=O)N1CCN(C(=O)N[C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)[C@H](C)C1 ZINC000330062399 554057511 /nfs/dbraw/zinc/05/75/11/554057511.db2.gz PFGXYBNMFHHNNK-GPMSIDNRSA-N 1 0 358.486 2.289 20 30 FEEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(SCCOC)cc1 ZINC000507550282 561732777 /nfs/dbraw/zinc/73/27/77/561732777.db2.gz LRZKUMBSSBFACJ-KBPBESRZSA-N 1 0 365.499 2.476 20 30 FEEDRO CC(=O)N1CCN(C(=O)NC[C@@H]2CCC[N@@H+]2CC2CCCCC2)[C@@H](C)C1 ZINC000330084843 554061936 /nfs/dbraw/zinc/06/19/36/554061936.db2.gz LGEXFZQYXLAXGZ-LPHOPBHVSA-N 1 0 364.534 2.498 20 30 FEEDRO O=C(N[C@@H](Cc1ccccc1)CN1CCOCC1)N[C@@H]1CCCSC1 ZINC000330102231 554064475 /nfs/dbraw/zinc/06/44/75/554064475.db2.gz FZROPCQDRCRKKK-MSOLQXFVSA-N 1 0 363.527 2.329 20 30 FEEDRO C[C@@H]1CN(C(=O)NC2CCC(C[NH+](C)C)CC2)C[C@@]2(CCCOC2)O1 ZINC000330135312 554071244 /nfs/dbraw/zinc/07/12/44/554071244.db2.gz SMJUAEGKSRAZHF-RMFNQSEZSA-N 1 0 353.507 2.291 20 30 FEEDRO O=C(NCC1([NH+]2CCCC2)CCOCC1)N1CCOC2(CCCC2)C1 ZINC000330156785 554075546 /nfs/dbraw/zinc/07/55/46/554075546.db2.gz PBLKGHXUORZVHD-UHFFFAOYSA-N 1 0 351.491 2.190 20 30 FEEDRO O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)N1CCOC[C@H](C2CCC2)C1 ZINC000330178553 554079684 /nfs/dbraw/zinc/07/96/84/554079684.db2.gz LRJKPIHVLNZEJS-FUHWJXTLSA-N 1 0 365.518 2.150 20 30 FEEDRO Cc1ccc2ncc(C#N)c(N3CCN(C(=O)[C@@H]4CCC[N@H+]4C)CC3)c2c1 ZINC000330193756 554082574 /nfs/dbraw/zinc/08/25/74/554082574.db2.gz YTFBDTWRRYJCSZ-IBGZPJMESA-N 1 0 363.465 2.158 20 30 FEEDRO C[C@H](NC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc2c(c1)OCO2 ZINC000330200057 554083644 /nfs/dbraw/zinc/08/36/44/554083644.db2.gz WFHSBKQGMOXPIM-LSDHHAIUSA-N 1 0 361.442 2.044 20 30 FEEDRO Cc1ncc(S(=O)(=O)N2CCC[C@H]([NH+]3[C@@H](C)CC[C@@H]3C)C2)cc1C#N ZINC000330200766 554083794 /nfs/dbraw/zinc/08/37/94/554083794.db2.gz WXEZIQAILMRYCS-ZQIUZPCESA-N 1 0 362.499 2.288 20 30 FEEDRO C[C@H](CNC(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C)c1nccs1 ZINC000330228964 554089204 /nfs/dbraw/zinc/08/92/04/554089204.db2.gz PXJDLAAOLUDYGL-ZIAGYGMSSA-N 1 0 352.504 2.346 20 30 FEEDRO CC(C)N1C[C@@H](NC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC1=O ZINC000330246637 554092215 /nfs/dbraw/zinc/09/22/15/554092215.db2.gz FGXPMUZTYORJGZ-SFHVURJKSA-N 1 0 358.486 2.295 20 30 FEEDRO CC[C@H](NC(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)C1CCOCC1 ZINC000330244013 554092318 /nfs/dbraw/zinc/09/23/18/554092318.db2.gz XCDNLBUZINAHAU-RCCFBDPRSA-N 1 0 353.507 2.073 20 30 FEEDRO C[C@H](C(=O)NC1CCCC1)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CC2)CC1 ZINC000330249022 554092807 /nfs/dbraw/zinc/09/28/07/554092807.db2.gz ZQBYBLLKMIQUGA-QAPCUYQASA-N 1 0 362.518 2.045 20 30 FEEDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@H]1CCOC2(CCOCC2)C1 ZINC000330256464 554093905 /nfs/dbraw/zinc/09/39/05/554093905.db2.gz KPXNSPNWGIQWOY-DLBZAZTESA-N 1 0 353.507 2.483 20 30 FEEDRO O=C(NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)N1CCCC2(CCOCC2)C1 ZINC000330273917 554096992 /nfs/dbraw/zinc/09/69/92/554096992.db2.gz ZXQLHQPCRGGCHS-QZTJIDSGSA-N 1 0 365.518 2.171 20 30 FEEDRO COCCn1cc([C@H]2OCC[C@@H]2C(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)cn1 ZINC000330283050 554098666 /nfs/dbraw/zinc/09/86/66/554098666.db2.gz BBXXDGILAPQRKS-PQEBFOHHSA-N 1 0 350.463 2.046 20 30 FEEDRO O=C(Nc1cccc(C[NH+]2CCC(O)CC2)c1)c1cc2n(n1)CCCO2 ZINC000330299044 554101815 /nfs/dbraw/zinc/10/18/15/554101815.db2.gz MABMPJFITUXWTK-UHFFFAOYSA-N 1 0 356.426 2.259 20 30 FEEDRO CC(C)C[NH+]1CCC(NC(=O)N[C@@H]2CCO[C@H](c3cncn3C)C2)CC1 ZINC000330319798 554104373 /nfs/dbraw/zinc/10/43/73/554104373.db2.gz DNUDOQRUUAAPJM-AEFFLSMTSA-N 1 0 363.506 2.264 20 30 FEEDRO O=C(NC1CC[NH+](Cc2ccccn2)CC1)c1c[nH]nc1[C@H]1CCOC1 ZINC000330320098 554104633 /nfs/dbraw/zinc/10/46/33/554104633.db2.gz DVKPDOMFGWCHOG-AWEZNQCLSA-N 1 0 355.442 2.278 20 30 FEEDRO CCC[NH+]1CCC(NC(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2cnn(C)c2C)CC1 ZINC000330359568 554111585 /nfs/dbraw/zinc/11/15/85/554111585.db2.gz WENYYDITJXPSCJ-QAPCUYQASA-N 1 0 361.490 2.079 20 30 FEEDRO CCN(C[C@H](C)C#N)S(=O)(=O)N[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000330368857 554112134 /nfs/dbraw/zinc/11/21/34/554112134.db2.gz AQHHRGAXJARNEA-RYRKJORJSA-N 1 0 364.515 2.138 20 30 FEEDRO C[C@H](C#N)CN(C)S(=O)(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000330387986 554114781 /nfs/dbraw/zinc/11/47/81/554114781.db2.gz NBXXUJDUAJOVGU-IJEWVQPXSA-N 1 0 370.544 2.057 20 30 FEEDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000330416277 554118955 /nfs/dbraw/zinc/11/89/55/554118955.db2.gz VBVMNIQBOFBCSS-MRXNPFEDSA-N 1 0 367.515 2.362 20 30 FEEDRO C[C@H](CC#N)N(C)S(=O)(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000330424127 554119817 /nfs/dbraw/zinc/11/98/17/554119817.db2.gz UEPBFILVBRCLIX-MRXNPFEDSA-N 1 0 364.515 2.241 20 30 FEEDRO COC(=O)c1cc(NC(=O)N2CC[N@H+](C[C@H](C)O)C[C@H]2C)cc(C)c1C ZINC000330530426 554134395 /nfs/dbraw/zinc/13/43/95/554134395.db2.gz GGSUPEIHIXLIDQ-KGLIPLIRSA-N 1 0 363.458 2.022 20 30 FEEDRO CS[C@@H]1CN(C(=O)Nc2cccc(NC(C)=O)c2C)C[C@H]1[NH+](C)C ZINC000330721261 554163264 /nfs/dbraw/zinc/16/32/64/554163264.db2.gz XJOABFXLFPKNOD-HZPDHXFCSA-N 1 0 350.488 2.476 20 30 FEEDRO CNC(=O)NC(=O)C[N@@H+]1CCC[C@@H](Cc2cc(Cl)ccc2OC)C1 ZINC000330902766 554185512 /nfs/dbraw/zinc/18/55/12/554185512.db2.gz LFRVRYMWBCKIJV-LBPRGKRZSA-N 1 0 353.850 2.263 20 30 FEEDRO C[N@H+]1CC=C(CNC(=O)Nc2ccc(Cl)c(S(C)(=O)=O)c2)CC1 ZINC000331002276 554199636 /nfs/dbraw/zinc/19/96/36/554199636.db2.gz OMQIATNSFRWFAP-UHFFFAOYSA-N 1 0 357.863 2.331 20 30 FEEDRO C=CCN(CCOC)C(=O)c1cnn(CC[NH+](C)C)c1-c1ccccc1 ZINC000508483893 561763398 /nfs/dbraw/zinc/76/33/98/561763398.db2.gz KGGCNBXVVYMQJY-UHFFFAOYSA-N 1 0 356.470 2.386 20 30 FEEDRO CO[C@H](C)c1noc(CN(C)C(=O)NC2CC[NH+](C(C)(C)C)CC2)n1 ZINC000331062232 554208003 /nfs/dbraw/zinc/20/80/03/554208003.db2.gz CRWWRHLSLJFHAK-GFCCVEGCSA-N 1 0 353.467 2.386 20 30 FEEDRO CN(CC[NH+]1CCCC1)S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000331165217 554224522 /nfs/dbraw/zinc/22/45/22/554224522.db2.gz AVOSADULQXQZHZ-UHFFFAOYSA-N 1 0 372.288 2.037 20 30 FEEDRO C[C@H](O)C[N@@H+]1CCN(C(=O)NCc2c(F)cc(F)c(F)c2F)C[C@H]1C ZINC000331171235 554225315 /nfs/dbraw/zinc/22/53/15/554225315.db2.gz JMVXAAPMPHJYFW-ZJUUUORDSA-N 1 0 363.355 2.044 20 30 FEEDRO CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)N[C@H]2CCCSC2)CC1 ZINC000331188627 554227485 /nfs/dbraw/zinc/22/74/85/554227485.db2.gz ZLDQSLPQAAZVHF-HNNXBMFYSA-N 1 0 370.563 2.012 20 30 FEEDRO C=CCn1c([C@@H](C)OCCOC)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000508705202 561770317 /nfs/dbraw/zinc/77/03/17/561770317.db2.gz HRHQHKKHXONZNS-IAGOWNOFSA-N 1 0 363.506 2.253 20 30 FEEDRO CC[C@@H]1CN(C(=O)Nc2cc(C)c(N(C)C)cc2C#N)CC[N@@H+]1C[C@@H](C)O ZINC000331236932 554234617 /nfs/dbraw/zinc/23/46/17/554234617.db2.gz HGAHYLIFGZDOMQ-NVXWUHKLSA-N 1 0 373.501 2.242 20 30 FEEDRO CC[C@H](NC(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C)c1c(C)nn(C)c1C ZINC000331244261 554235802 /nfs/dbraw/zinc/23/58/02/554235802.db2.gz ZKEHBQFHQYPNBV-BBRMVZONSA-N 1 0 365.522 2.179 20 30 FEEDRO C[C@@H]1C[N@@H+](CC2CCN(S(=O)(=O)CC(C)(C)CC#N)CC2)C[C@H](C)O1 ZINC000331293793 554242424 /nfs/dbraw/zinc/24/24/24/554242424.db2.gz CCBQZLLLSVZHQO-IYBDPMFKSA-N 1 0 371.547 2.077 20 30 FEEDRO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCC[C@@H](c2nc(C(F)(F)F)c[nH]2)C1 ZINC000331308859 554245279 /nfs/dbraw/zinc/24/52/79/554245279.db2.gz XLAWEGWGLYKBEM-VXGBXAGGSA-N 1 0 357.380 2.368 20 30 FEEDRO C[C@@H]1C[N@@H+](C2CCN(C(=O)[C@@H](C#N)CCc3ccccc3)CC2)CCO1 ZINC000331391201 554256349 /nfs/dbraw/zinc/25/63/49/554256349.db2.gz KBFVOQRDWSNDAO-IEBWSBKVSA-N 1 0 355.482 2.471 20 30 FEEDRO C=CCn1c([C@@H]2OCC[C@@H]2C)nnc1N1CC[N@H+](CCOC)[C@H](CC)C1 ZINC000509015218 561781362 /nfs/dbraw/zinc/78/13/62/561781362.db2.gz USMSLWROOBDYEA-GVDBMIGSSA-N 1 0 363.506 2.109 20 30 FEEDRO CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCN(c2nc(C)ccc2C#N)C1 ZINC000331406325 554259034 /nfs/dbraw/zinc/25/90/34/554259034.db2.gz FJJRPFGNSZYPRB-ROUUACIJSA-N 1 0 355.486 2.079 20 30 FEEDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)C(=O)N2CCC(C#N)CC2)CC1 ZINC000331437751 554265267 /nfs/dbraw/zinc/26/52/67/554265267.db2.gz BATZEOFRXLIFRQ-QGZVFWFLSA-N 1 0 374.529 2.252 20 30 FEEDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cccc(OCCCC#N)c1 ZINC000509004778 561780877 /nfs/dbraw/zinc/78/08/77/561780877.db2.gz OBCPZEVUBOZQOI-KRWDZBQOSA-N 1 0 372.469 2.298 20 30 FEEDRO Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N3CCC[C@H]3C[NH+](C)C)C2)n1 ZINC000331606529 554293726 /nfs/dbraw/zinc/29/37/26/554293726.db2.gz OQTQTMJJMZSTFR-MSOLQXFVSA-N 1 0 355.486 2.031 20 30 FEEDRO C=C(C)CC[N@@H+]1CCCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000509278903 561793503 /nfs/dbraw/zinc/79/35/03/561793503.db2.gz KSXKUYCGHIXLFF-UHFFFAOYSA-N 1 0 366.483 2.120 20 30 FEEDRO CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCN(c3nc(C)ccc3C#N)C2)C1 ZINC000331874949 554336447 /nfs/dbraw/zinc/33/64/47/554336447.db2.gz PCXHQDAYDWMORG-ROUUACIJSA-N 1 0 355.486 2.079 20 30 FEEDRO CC(C)(C)c1cc(C#N)c(NC(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)s1 ZINC000332108373 554381793 /nfs/dbraw/zinc/38/17/93/554381793.db2.gz SGGDDSXYMKFUEF-YPMHNXCESA-N 1 0 360.483 2.066 20 30 FEEDRO CC(C)[C@H]1CCc2c(C#N)c(NC(=O)C(=O)N3CC[NH2+]C[C@H]3C)sc2C1 ZINC000332365854 554433192 /nfs/dbraw/zinc/43/31/92/554433192.db2.gz XVTLETIHRIOKPP-OLZOCXBDSA-N 1 0 374.510 2.139 20 30 FEEDRO C[C@H](Oc1ccc(C#N)cc1)C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000332772573 554512366 /nfs/dbraw/zinc/51/23/66/554512366.db2.gz HRTGLGRDTUZRSA-RYGJVYDSSA-N 1 0 371.481 2.210 20 30 FEEDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000510483529 561836011 /nfs/dbraw/zinc/83/60/11/561836011.db2.gz AWHVXMCJQWQMCB-JSGCOSHPSA-N 1 0 353.875 2.459 20 30 FEEDRO C=CCOc1cccc(NC(=O)NCCCC[NH+]2CCC(C(N)=O)CC2)c1 ZINC000510747866 561845335 /nfs/dbraw/zinc/84/53/35/561845335.db2.gz PANCXXVMFSHCBU-UHFFFAOYSA-N 1 0 374.485 2.350 20 30 FEEDRO C[C@H]1CN(Cc2nnc(-c3cccc(C#N)c3)o2)CC2(CCOCC2)O1 ZINC000333248816 554594278 /nfs/dbraw/zinc/59/42/78/554594278.db2.gz CWJCLSQYPQFZGL-AWEZNQCLSA-N 1 0 354.410 2.378 20 30 FEEDRO CN(C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C)C(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000333717172 554636183 /nfs/dbraw/zinc/63/61/83/554636183.db2.gz JEMZTBOLFYBUKY-LISAXSMJSA-N 1 0 358.490 2.137 20 30 FEEDRO N#Cc1cc(Br)cnc1N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000333875528 554651409 /nfs/dbraw/zinc/65/14/09/554651409.db2.gz SSMOFGHLCJYHCJ-KGLIPLIRSA-N 1 0 351.248 2.048 20 30 FEEDRO C[NH+](C)[C@H]1CCOc2c(NC(=O)C(=O)NCC(C)(C)CCC#N)cccc21 ZINC000510939606 561851569 /nfs/dbraw/zinc/85/15/69/561851569.db2.gz OOVAHTADBMRXPU-INIZCTEOSA-N 1 0 372.469 2.456 20 30 FEEDRO C=CCOC[C@@H]1NC(=O)N(C[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)C1=O ZINC000348427302 554684713 /nfs/dbraw/zinc/68/47/13/554684713.db2.gz SPBOXNOHKCSVSE-ROUUACIJSA-N 1 0 357.454 2.255 20 30 FEEDRO C=CCOC[C@@H]1NC(=O)N(C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)C1=O ZINC000348979453 554707207 /nfs/dbraw/zinc/70/72/07/554707207.db2.gz WVCLFNZZSGOPRK-MOPGFXCFSA-N 1 0 371.481 2.412 20 30 FEEDRO CC(C)(C)n1cc(C#N)cc1NC(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000360280133 554870078 /nfs/dbraw/zinc/87/00/78/554870078.db2.gz QKBAMUGZMRZYDI-HOTGVXAUSA-N 1 0 359.474 2.178 20 30 FEEDRO CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1CC(=O)N(CCC#N)c1ccccc1 ZINC000360403456 554873457 /nfs/dbraw/zinc/87/34/57/554873457.db2.gz YBDJRMREDMXXQN-VQTJNVASSA-N 1 0 368.481 2.409 20 30 FEEDRO N#Cc1ccccc1-c1ccc(CNC(=O)[C@H]2C[N@@H+]3CCN2CCC3)cc1 ZINC000362018650 554945155 /nfs/dbraw/zinc/94/51/55/554945155.db2.gz CDLZJTXSTCQBRR-OAQYLSRUSA-N 1 0 360.461 2.231 20 30 FEEDRO Cn1cc([C@@H]2[C@@H](CNC(=O)c3ccc(CC#N)cc3)CCC[N@@H+]2C)cn1 ZINC000362167621 554954260 /nfs/dbraw/zinc/95/42/60/554954260.db2.gz WEPKHVNBACXNHX-MJGOQNOKSA-N 1 0 351.454 2.299 20 30 FEEDRO N#Cc1cccc(NC(=O)CC[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](CO)C2)c1 ZINC000511630230 561875216 /nfs/dbraw/zinc/87/52/16/561875216.db2.gz RZAMGLQIGXBBMQ-HIFRSBDPSA-N 1 0 355.360 2.380 20 30 FEEDRO N#C[C@H]1CN(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CCN1C1CC1 ZINC000362721394 554984168 /nfs/dbraw/zinc/98/41/68/554984168.db2.gz ALBMOGNAZLWTKS-FQEVSTJZSA-N 1 0 367.497 2.164 20 30 FEEDRO CN(C(=O)c1c(F)cc(C#N)cc1F)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000362834309 554991686 /nfs/dbraw/zinc/99/16/86/554991686.db2.gz KTFASYJTFBYZCC-OAHLLOKOSA-N 1 0 362.424 2.077 20 30 FEEDRO C=C(C)CN(CC)C(=O)[C@@H](C)N1CCCN(C(=O)c2ccccn2)CC1 ZINC000363004971 555007857 /nfs/dbraw/zinc/00/78/57/555007857.db2.gz PILUXXZGDYFTGC-QGZVFWFLSA-N 1 0 358.486 2.043 20 30 FEEDRO C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000363082130 555026537 /nfs/dbraw/zinc/02/65/37/555026537.db2.gz WZMYYGJREXHRAN-QWHCGFSZSA-N 1 0 350.850 2.076 20 30 FEEDRO Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N(C)[C@@H]3CC[N@H+](C)[C@H](C)C3)C2)n1 ZINC000363170257 555044996 /nfs/dbraw/zinc/04/49/96/555044996.db2.gz FHGLPDIASIVVLW-NZSAHSFTSA-N 1 0 369.513 2.419 20 30 FEEDRO CC(C)(C#N)c1ccc(NC(=O)C(=O)N2CCC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000363440708 555106227 /nfs/dbraw/zinc/10/62/27/555106227.db2.gz CQBNAWYEHSXNRK-KRWDZBQOSA-N 1 0 354.454 2.123 20 30 FEEDRO N#Cc1ccc(OCCC[NH+]2CCC(NC(=O)C3CCOCC3)CC2)cc1 ZINC000363489139 555119039 /nfs/dbraw/zinc/11/90/39/555119039.db2.gz SFJFHVZZTUNWBZ-UHFFFAOYSA-N 1 0 371.481 2.334 20 30 FEEDRO N#Cc1ccc(NC(=O)C(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)cc1Cl ZINC000363557792 555136627 /nfs/dbraw/zinc/13/66/27/555136627.db2.gz LRYUKZGXAWJYEJ-QRTARXTBSA-N 1 0 372.856 2.093 20 30 FEEDRO C[C@H](N[C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@@H]1C)C(=O)Nc1cccc(C#N)c1 ZINC000363702515 555167911 /nfs/dbraw/zinc/16/79/11/555167911.db2.gz BZIPAPZAIGFVGD-XAMWDVODSA-N 1 0 370.497 2.364 20 30 FEEDRO CC(C)(Oc1ccc(C#N)cc1)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000363738639 555175555 /nfs/dbraw/zinc/17/55/55/555175555.db2.gz ZMDNKDXSOPHBGF-QGZVFWFLSA-N 1 0 357.454 2.085 20 30 FEEDRO N#Cc1cccnc1N1CCC[N@@H+](C[C@@H](O)CCc2ccccc2)CC1 ZINC000363783369 555185568 /nfs/dbraw/zinc/18/55/68/555185568.db2.gz WEMSYVYXOIUOBY-FQEVSTJZSA-N 1 0 350.466 2.459 20 30 FEEDRO Cc1ccnc(C2CC[NH+](C[C@H](O)COc3ccc(C#N)cc3)CC2)n1 ZINC000363795870 555188301 /nfs/dbraw/zinc/18/83/01/555188301.db2.gz PVPIFSSUWHBPAE-SFHVURJKSA-N 1 0 352.438 2.276 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)[C@H]2CCCN(c3ccc(C)cn3)C2)CC1 ZINC000363816382 555192125 /nfs/dbraw/zinc/19/21/25/555192125.db2.gz HKYPTDUWZOZGSG-SFHVURJKSA-N 1 0 354.498 2.210 20 30 FEEDRO C=CCN(C(=O)NCc1ccnn1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000363826052 555194304 /nfs/dbraw/zinc/19/43/04/555194304.db2.gz QCXNTKYEGUCDOW-IBGZPJMESA-N 1 0 353.470 2.392 20 30 FEEDRO N#CCCCOc1cccc(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000363944157 555219258 /nfs/dbraw/zinc/21/92/58/555219258.db2.gz KPLVQEZAAQAZPC-DLBZAZTESA-N 1 0 370.453 2.051 20 30 FEEDRO N#Cc1cccc(CN2C(=O)CC[C@H]2C(=O)NCC[NH+]2CCCCCC2)c1 ZINC000364045196 555239210 /nfs/dbraw/zinc/23/92/10/555239210.db2.gz UMPYEEYTHZXKCU-IBGZPJMESA-N 1 0 368.481 2.041 20 30 FEEDRO Cc1cccc(S(=O)(=O)N2C[C@H]([NH3+])[C@H](c3ccc(F)cc3)C2)c1C#N ZINC000364291716 555285714 /nfs/dbraw/zinc/28/57/14/555285714.db2.gz OXSTVYCIIXIDJL-IRXDYDNUSA-N 1 0 359.426 2.121 20 30 FEEDRO COCc1nccc([C@H]2CCC[N@H+](C[C@@H](O)c3ccc(C#N)cc3)C2)n1 ZINC000364406238 555307773 /nfs/dbraw/zinc/30/77/73/555307773.db2.gz RTZCAFNFMUGKPA-PKOBYXMFSA-N 1 0 352.438 2.408 20 30 FEEDRO CO/N=C/c1ccc(C(=O)N[C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@H]2C)cc1 ZINC000364544615 555334047 /nfs/dbraw/zinc/33/40/47/555334047.db2.gz LHHYROFJVRJYSL-AJKKLUPSSA-N 1 0 359.470 2.286 20 30 FEEDRO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCC[C@@H](C(=O)N2CCCCCC2)C1 ZINC000364626675 555356372 /nfs/dbraw/zinc/35/63/72/555356372.db2.gz LFMARGLWGLVIBB-ZWKOTPCHSA-N 1 0 362.518 2.109 20 30 FEEDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)C1 ZINC000364685554 555374473 /nfs/dbraw/zinc/37/44/73/555374473.db2.gz IKSXVUMBQHSQDD-HNNXBMFYSA-N 1 0 370.432 2.689 20 30 FEEDRO CC[C@H](C)[N@H+](C)CCNC(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 ZINC000512573325 561909401 /nfs/dbraw/zinc/90/94/01/561909401.db2.gz QSAYAEPOOKPHNT-PKOBYXMFSA-N 1 0 357.502 2.136 20 30 FEEDRO Cc1nc(C#N)c(N2CCC(C(=O)N3CCC[C@H]([NH+]4CCCC4)C3)CC2)o1 ZINC000365026148 555467975 /nfs/dbraw/zinc/46/79/75/555467975.db2.gz KDBRIYDPGFSOEL-KRWDZBQOSA-N 1 0 371.485 2.158 20 30 FEEDRO C#CCN(CCn1cncn1)[C@H]1CCOc2ccc(Br)cc21 ZINC000365205925 555510718 /nfs/dbraw/zinc/51/07/18/555510718.db2.gz FEPFIEZKUXQQME-HNNXBMFYSA-N 1 0 361.243 2.500 20 30 FEEDRO C#CCOc1ccc(C(=O)N[C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@H]2C)cc1 ZINC000365534193 555601404 /nfs/dbraw/zinc/60/14/04/555601404.db2.gz FKJUILUIZBMJQC-LSTHTHJFSA-N 1 0 356.466 2.318 20 30 FEEDRO CCCCCCCCOCC(=O)N1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000365537128 555602481 /nfs/dbraw/zinc/60/24/81/555602481.db2.gz PBNXHKDSJDSLLM-SFHVURJKSA-N 1 0 367.534 2.304 20 30 FEEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000365545800 555605380 /nfs/dbraw/zinc/60/53/80/555605380.db2.gz KGCNJXGEEPVJAS-ZYSHUDEJSA-N 1 0 368.481 2.151 20 30 FEEDRO N#Cc1ccc(NC(=O)CN2CC[NH+]([C@H]3CCSC3)CC2)cc1Cl ZINC000365862155 555686023 /nfs/dbraw/zinc/68/60/23/555686023.db2.gz FIQYSZGHJPQOFX-HNNXBMFYSA-N 1 0 364.902 2.273 20 30 FEEDRO Cc1ccc(OC[C@H](O)C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1 ZINC000366378509 555826782 /nfs/dbraw/zinc/82/67/82/555826782.db2.gz OLKIFCKVDHJOGE-MJGOQNOKSA-N 1 0 353.422 2.155 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N2C[C@@H](C)O[C@]3(CCCOC3)C2)CC1 ZINC000366729642 555919877 /nfs/dbraw/zinc/91/98/77/555919877.db2.gz MPQLCQZAXCIEJV-VQIMIIECSA-N 1 0 351.491 2.006 20 30 FEEDRO C=CCN(CC=C)C(=O)C[NH+]1CCC(O)(Cc2ccccc2OC)CC1 ZINC000366763912 555928272 /nfs/dbraw/zinc/92/82/72/555928272.db2.gz GKDMSLDZFRJYMS-UHFFFAOYSA-N 1 0 358.482 2.265 20 30 FEEDRO Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)NC3(C[NH+](C)C)CCC3)C2)n1 ZINC000367005920 555995457 /nfs/dbraw/zinc/99/54/57/555995457.db2.gz WPUDLBFXVGPHOZ-QGZVFWFLSA-N 1 0 355.486 2.079 20 30 FEEDRO C#CCOc1ccc(C[NH2+]CC(=O)N[C@@H]2CCOc3ccccc32)cc1 ZINC000367067031 556000725 /nfs/dbraw/zinc/00/07/25/556000725.db2.gz PTMOOXGDFBGJQI-LJQANCHMSA-N 1 0 350.418 2.428 20 30 FEEDRO C=CCN(C(=O)c1n[nH]cc1[N+](=O)[O-])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000367201914 556003398 /nfs/dbraw/zinc/00/33/98/556003398.db2.gz SCZLTUMNAYRACQ-OAHLLOKOSA-N 1 0 355.398 2.221 20 30 FEEDRO N#Cc1cccnc1-n1cc(NC(=O)NC2CC[NH+](C3CCC3)CC2)cn1 ZINC000514655870 561971851 /nfs/dbraw/zinc/97/18/51/561971851.db2.gz GQDHWCUUICLEDL-UHFFFAOYSA-N 1 0 365.441 2.277 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2CCC[C@@H]3C[NH2+]CCC[C@@H]32)c(Cl)c1 ZINC000367689673 556115626 /nfs/dbraw/zinc/11/56/26/556115626.db2.gz QCJSFEDYAKBEBT-HIFRSBDPSA-N 1 0 353.875 2.364 20 30 FEEDRO Cc1nsc(NCc2c(C)nn(C)c2N2CCC[N@H+](C)CC2)c1C#N ZINC000367946566 556179421 /nfs/dbraw/zinc/17/94/21/556179421.db2.gz ZOUYBNIAKIZXTF-UHFFFAOYSA-N 1 0 359.503 2.119 20 30 FEEDRO C#Cc1ccccc1CC(=O)NC1CC[NH+](CC2(O)CCCCC2)CC1 ZINC000368123960 556224416 /nfs/dbraw/zinc/22/44/16/556224416.db2.gz NEPZBJLFTYDIIJ-UHFFFAOYSA-N 1 0 354.494 2.486 20 30 FEEDRO CN(CCC#N)C[C@H](O)C[NH2+][C@@H]1CSc2ccc(Br)cc21 ZINC000515166439 561998824 /nfs/dbraw/zinc/99/88/24/561998824.db2.gz PCNSTMGUNKNYJK-TZMCWYRMSA-N 1 0 370.316 2.392 20 30 FEEDRO N#Cc1ccc(N2CCN(C(=O)NCC[C@@H]3CC[NH2+]C3)CC2)c(Cl)c1 ZINC000515187180 561999739 /nfs/dbraw/zinc/99/97/39/561999739.db2.gz IEJMWMWXWQVOOH-AWEZNQCLSA-N 1 0 361.877 2.043 20 30 FEEDRO C[C@@H]1C[C@@H](C)C[NH+](C2CCN(S(=O)(=O)c3cccnc3C#N)CC2)C1 ZINC000368463745 556317771 /nfs/dbraw/zinc/31/77/71/556317771.db2.gz XRPISEDLJHWYHH-HUUCEWRRSA-N 1 0 362.499 2.084 20 30 FEEDRO C[C@H]([NH2+][C@@H]1CCC(=O)N[C@@H]1C1CC1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000368497439 556327069 /nfs/dbraw/zinc/32/70/69/556327069.db2.gz YPTBHHXTHZUSBZ-UDTVLSCZSA-N 1 0 360.845 2.185 20 30 FEEDRO C[N@H+](CCNC(=O)NC1CCN(c2ccc(C#N)cn2)CC1)C1CCCC1 ZINC000369028211 556481327 /nfs/dbraw/zinc/48/13/27/556481327.db2.gz PEHSWUORXMXCOM-UHFFFAOYSA-N 1 0 370.501 2.096 20 30 FEEDRO C=C(C)CN1CCC([NH2+]C[C@H](O)COc2ccc(NC(C)=O)cc2)CC1 ZINC000515832548 562023092 /nfs/dbraw/zinc/02/30/92/562023092.db2.gz ZSWKROPDTAWKAA-IBGZPJMESA-N 1 0 361.486 2.015 20 30 FEEDRO C[N@@H+]1CC[C@@H]2CCN(S(=O)(=O)c3ccc(C(F)(F)F)c(C#N)c3)C[C@H]21 ZINC000369116833 556508612 /nfs/dbraw/zinc/50/86/12/556508612.db2.gz OCJYRLJMVLEIBF-IAQYHMDHSA-N 1 0 373.400 2.292 20 30 FEEDRO N#Cc1cc([N+](=O)[O-])cnc1NC[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000369178338 556526691 /nfs/dbraw/zinc/52/66/91/556526691.db2.gz ZXWFHYWNMCRDLF-OAHLLOKOSA-N 1 0 352.398 2.581 20 30 FEEDRO CCN(C(=O)[C@H](C)[NH+]1CCC(n2cnc(C#N)n2)CC1)C1CCCCC1 ZINC000369389768 556587799 /nfs/dbraw/zinc/58/77/99/556587799.db2.gz SIMMGTSURREKGS-HNNXBMFYSA-N 1 0 358.490 2.356 20 30 FEEDRO C=CCOc1ccc(C(=O)N=c2ccn(C3CC[NH+](C)CC3)[nH]2)cc1OC ZINC000369690628 556669704 /nfs/dbraw/zinc/66/97/04/556669704.db2.gz BCNZWKNBXCCUQA-UHFFFAOYSA-N 1 0 370.453 2.976 20 30 FEEDRO N#Cc1ccsc1N1CC[C@@H](N2CCC(Oc3cnccn3)CC2)C1=O ZINC000369696667 556671602 /nfs/dbraw/zinc/67/16/02/556671602.db2.gz YAHOCEQBZAJAQH-OAHLLOKOSA-N 1 0 369.450 2.058 20 30 FEEDRO CN(CCC#N)C(=O)CC[N@@H+]1CCOC[C@@H]1Cc1c[nH]c2ccccc12 ZINC000369705140 556673569 /nfs/dbraw/zinc/67/35/69/556673569.db2.gz VEHDAUQAUSCENC-KRWDZBQOSA-N 1 0 354.454 2.173 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)[C@@H]2CC(=O)N(c3ccccc3Cl)C2)CC1 ZINC000369755755 556686049 /nfs/dbraw/zinc/68/60/49/556686049.db2.gz BANWBUXCODTUCA-OAHLLOKOSA-N 1 0 373.884 2.297 20 30 FEEDRO C[NH+](C)CCn1ccc(=NC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)[nH]1 ZINC000369778190 556691953 /nfs/dbraw/zinc/69/19/53/556691953.db2.gz AOCSXCMPILBXFX-ZWKOTPCHSA-N 1 0 366.469 2.748 20 30 FEEDRO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1NC(=O)NCc1cc(C#N)ccc1F ZINC000369865282 556716786 /nfs/dbraw/zinc/71/67/86/556716786.db2.gz YCFLLQRKOWMSBZ-DKSSEZFCSA-N 1 0 374.460 2.386 20 30 FEEDRO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@@H](Cc2nnc3ccccn32)C1 ZINC000369942606 556736527 /nfs/dbraw/zinc/73/65/27/556736527.db2.gz BWSAIYMKRMEPFW-JXFKEZNVSA-N 1 0 368.485 2.038 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)[C@@H]2CCC(=O)N(Cc3ccccc3)C2)CC1 ZINC000370197635 556808245 /nfs/dbraw/zinc/80/82/45/556808245.db2.gz OBWVLWWRIBXLTD-LJQANCHMSA-N 1 0 367.493 2.029 20 30 FEEDRO C#CC[C@@H](C)NC(=O)c1nnn(-c2cccc3c2CC[N@@H+](CC)C3)c1C ZINC000370259457 556823836 /nfs/dbraw/zinc/82/38/36/556823836.db2.gz CUYQGWYYAXDCNZ-CQSZACIVSA-N 1 0 351.454 2.095 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N2CCC[C@H](CNC(=O)c3ccco3)C2)CC1 ZINC000370289612 556831309 /nfs/dbraw/zinc/83/13/09/556831309.db2.gz SJTVVPFHAJQONV-MRXNPFEDSA-N 1 0 374.485 2.081 20 30 FEEDRO CN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1CCC[C@H]1[NH+]1CCOCC1 ZINC000370757726 556959135 /nfs/dbraw/zinc/95/91/35/556959135.db2.gz IKCAMEVGKHUVKE-RBUKOAKNSA-N 1 0 356.470 2.201 20 30 FEEDRO Cn1cc([C@@H]2[C@H](CNC(=O)c3cccc(CC#N)c3)CCC[N@@H+]2C)cn1 ZINC000370909704 557011765 /nfs/dbraw/zinc/01/17/65/557011765.db2.gz DMIJEJNSIACWMV-HKUYNNGSSA-N 1 0 351.454 2.299 20 30 FEEDRO COc1cc(/C=C/C(=O)N2CCn3c(C)c(C)nc3C2)ccc1OCC#N ZINC000370935512 557021904 /nfs/dbraw/zinc/02/19/04/557021904.db2.gz QUDZVHZHNBRIBV-FNORWQNLSA-N 1 0 366.421 2.467 20 30 FEEDRO C#CC[C@H](C)NC(=O)N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000371057753 557061054 /nfs/dbraw/zinc/06/10/54/557061054.db2.gz XLXUDXZQKBEPAS-RBUKOAKNSA-N 1 0 369.513 2.037 20 30 FEEDRO N#CCCC1CCN(C(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)CC1 ZINC000517232606 562081423 /nfs/dbraw/zinc/08/14/23/562081423.db2.gz AHHUDWCMPDIPDH-FQEVSTJZSA-N 1 0 370.497 2.479 20 30 FEEDRO C=CCOc1ccc(C[NH+]2CCC([C@]3(C)NC(=O)NC3=O)CC2)cc1OC ZINC000371328197 557148171 /nfs/dbraw/zinc/14/81/71/557148171.db2.gz SUASWHCOYSZFPT-FQEVSTJZSA-N 1 0 373.453 2.070 20 30 FEEDRO Cc1cccc2ncc(CN3C[C@H](C#N)[C@@]4(C3)c3ccccc3NC4=O)n21 ZINC000371456161 557190185 /nfs/dbraw/zinc/19/01/85/557190185.db2.gz FUOVREYPPNTYBP-BTYIYWSLSA-N 1 0 357.417 2.488 20 30 FEEDRO CCCC[NH+]1CCC(NC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)CC1 ZINC000517606752 562093591 /nfs/dbraw/zinc/09/35/91/562093591.db2.gz QTILMILDNZPJMT-UHFFFAOYSA-N 1 0 366.469 2.320 20 30 FEEDRO N#Cc1ccc(SCC(=O)NC[C@H]2CCC[C@@H]2[NH+]2CCOCC2)cc1 ZINC000371562293 557223338 /nfs/dbraw/zinc/22/33/38/557223338.db2.gz DFUMFYCJLVBKPL-AEFFLSMTSA-N 1 0 359.495 2.267 20 30 FEEDRO N#Cc1cnn(-c2ccc(C(=O)N[C@H]3CC[N@@H+](C4CCCC4)C3)cc2)c1N ZINC000371596241 557234067 /nfs/dbraw/zinc/23/40/67/557234067.db2.gz FNLFEXZDPXLJPQ-INIZCTEOSA-N 1 0 364.453 2.073 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)c(Cl)c1 ZINC000371632615 557245944 /nfs/dbraw/zinc/24/59/44/557245944.db2.gz IYCMUEUVHRZJCT-LZWOXQAQSA-N 1 0 365.886 2.316 20 30 FEEDRO COCCOc1ccc(C#N)cc1NC(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000371720634 557273931 /nfs/dbraw/zinc/27/39/31/557273931.db2.gz YYQFTJVGBYUENY-MRXNPFEDSA-N 1 0 358.442 2.285 20 30 FEEDRO C[NH+]1CCC(C#N)(NC(=O)CCCc2nc(-c3ccc(F)cc3)no2)CC1 ZINC000518300131 562108251 /nfs/dbraw/zinc/10/82/51/562108251.db2.gz MEFLXORTFVJTBJ-UHFFFAOYSA-N 1 0 371.416 2.303 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)COc2cccc(NC(=O)C3CC3)c2)CC1 ZINC000518501127 562113061 /nfs/dbraw/zinc/11/30/61/562113061.db2.gz UFQUUDUGUGYUBT-UHFFFAOYSA-N 1 0 357.454 2.181 20 30 FEEDRO Cc1cc(C#N)ccc1C(=O)N(C)C1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000372187516 557402704 /nfs/dbraw/zinc/40/27/04/557402704.db2.gz WYMFVCITXVIRGI-UHFFFAOYSA-N 1 0 368.481 2.026 20 30 FEEDRO COc1ccccc1N1CC[C@@H](C)N(CC(=O)N[C@@](C)(C#N)C2CC2)CC1 ZINC000372197988 557406780 /nfs/dbraw/zinc/40/67/80/557406780.db2.gz VDNOMRQOTASHJW-IERDGZPVSA-N 1 0 370.497 2.404 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)Nc2cc(C)n(-c3cccc(C#N)c3)n2)CC1 ZINC000372376726 557454501 /nfs/dbraw/zinc/45/45/01/557454501.db2.gz GHCMXAMXRWMBDQ-UHFFFAOYSA-N 1 0 364.453 2.824 20 30 FEEDRO Cc1cc(NC(=O)N2CCC([NH2+]C(C)C)CC2)nn1-c1cccc(C#N)c1 ZINC000372378462 557454971 /nfs/dbraw/zinc/45/49/71/557454971.db2.gz QUYUIAGMLOVTAL-UHFFFAOYSA-N 1 0 366.469 3.047 20 30 FEEDRO C[N@@H+]1CC[C@@H](CNC(=O)Cc2cccc(OCC#N)c2)[C@@H]1c1cccnc1 ZINC000372410886 557464046 /nfs/dbraw/zinc/46/40/46/557464046.db2.gz YQDUUGDHUUMJQR-RXVVDRJESA-N 1 0 364.449 2.336 20 30 FEEDRO CC(C)[N@H+](C)C[C@H](O)COc1ccc(C#N)cc1I ZINC000519833280 562145849 /nfs/dbraw/zinc/14/58/49/562145849.db2.gz CMMQKPOKZWZXFL-LBPRGKRZSA-N 1 0 374.222 2.243 20 30 FEEDRO Cc1cc(C)cc(NC(=O)[C@@H](C)[NH+]2CCC(n3cnc(C#N)n3)CC2)c1 ZINC000373400824 557687199 /nfs/dbraw/zinc/68/71/99/557687199.db2.gz RVOWETRSXIQFEU-OAHLLOKOSA-N 1 0 352.442 2.431 20 30 FEEDRO C=C[C@](C)(CCOC)C(=O)N1CCN(C2CC[NH+](CCC)CC2)CC1 ZINC000373678871 557737356 /nfs/dbraw/zinc/73/73/56/557737356.db2.gz FSPUJFWDNHNPNQ-HXUWFJFHSA-N 1 0 351.535 2.234 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N2CCN(Cc3cccc(C)c3)CC2)CC1 ZINC000520709474 562162078 /nfs/dbraw/zinc/16/20/78/562162078.db2.gz PPSKXKNHPWXWKO-UHFFFAOYSA-N 1 0 356.514 2.473 20 30 FEEDRO C[N@H+](CC(=O)N(CCC#N)CCC#N)C1CCN(c2ccc(F)cc2)CC1 ZINC000374130916 557828808 /nfs/dbraw/zinc/82/88/08/557828808.db2.gz IIOSTJFWKQOAIH-UHFFFAOYSA-N 1 0 371.460 2.382 20 30 FEEDRO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCC[C@H]1[C@@H](O)c1ccc(OC)cc1 ZINC000374398493 557878664 /nfs/dbraw/zinc/87/86/64/557878664.db2.gz KCPGYDBTHUHDCP-BPAFIMBUSA-N 1 0 359.470 2.201 20 30 FEEDRO CCN(C[C@@H](C)C#N)S(=O)(=O)NC1CC[NH+](Cc2cccs2)CC1 ZINC000374400135 557878959 /nfs/dbraw/zinc/87/89/59/557878959.db2.gz FGVPYXRQCPRVRK-AWEZNQCLSA-N 1 0 370.544 2.028 20 30 FEEDRO CCN(C[C@H](C)C#N)S(=O)(=O)N1CCC(C[NH+]2CCC(C)CC2)CC1 ZINC000374447085 557885271 /nfs/dbraw/zinc/88/52/71/557885271.db2.gz PUWITADKMHRFSG-QGZVFWFLSA-N 1 0 370.563 2.157 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N2CCC[C@@](CO)(c3ccccc3)C2)CC1 ZINC000374656821 557912898 /nfs/dbraw/zinc/91/28/98/557912898.db2.gz SYFUIQXMUBPHGI-OAQYLSRUSA-N 1 0 357.498 2.373 20 30 FEEDRO C[C@H](NC(=O)N1CCCN(c2ccc(C#N)cc2)CC1)C1=CC[N@H+](C)CC1 ZINC000374735067 557923128 /nfs/dbraw/zinc/92/31/28/557923128.db2.gz PAWXSVKLWBVWLQ-KRWDZBQOSA-N 1 0 367.497 2.430 20 30 FEEDRO Cc1noc(C2(C)CC[NH+](C[C@@H](O)COc3ccc(C#N)cc3)CC2)n1 ZINC000374748886 557925103 /nfs/dbraw/zinc/92/51/03/557925103.db2.gz ITAGXDPUMXYWIA-MRXNPFEDSA-N 1 0 356.426 2.043 20 30 FEEDRO CC(=O)Nc1c[nH]nc1[C@H]1CCC[N@H+](C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000374827944 557937171 /nfs/dbraw/zinc/93/71/71/557937171.db2.gz ORMWYKJEKNPXTI-WMZOPIPTSA-N 1 0 353.426 2.153 20 30 FEEDRO CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000521217018 562172088 /nfs/dbraw/zinc/17/20/88/562172088.db2.gz HSSISJFZLHAEPW-BHIYHBOVSA-N 1 0 373.497 2.315 20 30 FEEDRO CCN(C[C@H](C)C#N)C(=O)CN(C)C1CC[NH+](CCc2ccncc2)CC1 ZINC000375012660 557964101 /nfs/dbraw/zinc/96/41/01/557964101.db2.gz MIYLWAZQZFDEGP-GOSISDBHSA-N 1 0 371.529 2.028 20 30 FEEDRO COC(=O)c1cn([C@H]2CCC[N@H+](Cc3ccc(O[C@H](C)C#N)cc3)C2)nn1 ZINC000375176720 557987751 /nfs/dbraw/zinc/98/77/51/557987751.db2.gz PCPMTQPTWQIZAK-ZBFHGGJFSA-N 1 0 369.425 2.193 20 30 FEEDRO N#CCCN(C(=O)C[NH2+][C@H]1CCC(=O)N[C@H]1C1CC1)c1cccc(Cl)c1 ZINC000375338666 558011571 /nfs/dbraw/zinc/01/15/71/558011571.db2.gz SHGIYXUYXLSRPY-LPHOPBHVSA-N 1 0 374.872 2.233 20 30 FEEDRO C=C[C@@](C)(CCOC)C(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000375344464 558012655 /nfs/dbraw/zinc/01/26/55/558012655.db2.gz FKDQSPBOPCAUSN-IBGZPJMESA-N 1 0 351.535 2.282 20 30 FEEDRO C=CCc1ccccc1OC[C@H](O)C[NH2+]C[C@@H]1CCO[C@H]1c1cnn(C)c1 ZINC000521612455 562180015 /nfs/dbraw/zinc/18/00/15/562180015.db2.gz MKIHIAMMPSAIOH-FBBABVLZSA-N 1 0 371.481 2.256 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N2C[C@H](C)O[C@]3(CCO[C@H](C)C3)C2)CC1 ZINC000376112086 558128599 /nfs/dbraw/zinc/12/85/99/558128599.db2.gz JNPXXNUEKMWLNZ-GJYPPUQNSA-N 1 0 351.491 2.005 20 30 FEEDRO C[C@@H]1C[C@H](CNS(=O)(=O)c2ccc(C#N)o2)C[N@@H+]1Cc1ccccc1 ZINC000376318749 558157259 /nfs/dbraw/zinc/15/72/59/558157259.db2.gz BERRJIZSPOIIHS-GDBMZVCRSA-N 1 0 359.451 2.340 20 30 FEEDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1ccc(-n2ncc(C#N)c2N)cc1 ZINC000376568843 558191861 /nfs/dbraw/zinc/19/18/61/558191861.db2.gz ISDFMRURIBUHFD-KBXCAEBGSA-N 1 0 364.453 2.025 20 30 FEEDRO CC[C@H](C#N)Oc1cc(CNC(=O)N2CC[NH+]3CCC2CC3)ccc1OC ZINC000376684379 558207888 /nfs/dbraw/zinc/20/78/88/558207888.db2.gz AXXIAMGFHGZSOQ-QGZVFWFLSA-N 1 0 372.469 2.366 20 30 FEEDRO C#CCOc1ccc(F)cc1NC(=O)N1CCC[N@@H+](CC(C)(C)O)CC1 ZINC000376971571 558246306 /nfs/dbraw/zinc/24/63/06/558246306.db2.gz LGEPJBJTDHGEFM-UHFFFAOYSA-N 1 0 363.433 2.148 20 30 FEEDRO Cc1cc(NC(=O)N[C@H](C)C2=CC[N@H+](C)CC2)nn1-c1cccc(C#N)c1 ZINC000377244892 558297525 /nfs/dbraw/zinc/29/75/25/558297525.db2.gz MUNHJHDIJVXFJL-OAHLLOKOSA-N 1 0 364.453 2.824 20 30 FEEDRO C#CCCS(=O)(=O)N[C@H]1CCN(C2CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000377297074 558309160 /nfs/dbraw/zinc/30/91/60/558309160.db2.gz PORIEOIALDMAAJ-IRXDYDNUSA-N 1 0 354.422 2.185 20 30 FEEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000377578682 558369905 /nfs/dbraw/zinc/36/99/05/558369905.db2.gz AJAVVTZMWFFLAZ-HOTGVXAUSA-N 1 0 358.442 2.330 20 30 FEEDRO N#Cc1cccc(OCCCCC(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c1 ZINC000377610362 558377011 /nfs/dbraw/zinc/37/70/11/558377011.db2.gz WDMFOFSZFCBINN-UXHICEINSA-N 1 0 371.481 2.165 20 30 FEEDRO C#CCOc1ccccc1C[NH+]1CCC(C(=O)Nc2nncs2)CC1 ZINC000377705342 558401942 /nfs/dbraw/zinc/40/19/42/558401942.db2.gz SFJOGOCWPLRXFF-UHFFFAOYSA-N 1 0 356.451 2.401 20 30 FEEDRO C=CCNC(=O)C[NH+]1CCC([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000377730970 558407416 /nfs/dbraw/zinc/40/74/16/558407416.db2.gz AZGRMBIMXMBSCO-INIZCTEOSA-N 1 0 351.491 2.258 20 30 FEEDRO CCN(CCC#N)C(=O)CN1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000377766674 558415589 /nfs/dbraw/zinc/41/55/89/558415589.db2.gz LEKQGMLWXYUITK-WOJBJXKFSA-N 1 0 354.498 2.202 20 30 FEEDRO COc1cc(C#N)ccc1OCC[NH+]1CCC(C)(C[NH+]2CCOCC2)CC1 ZINC000378268246 558515437 /nfs/dbraw/zinc/51/54/37/558515437.db2.gz DMAYPXUYFSNTML-UHFFFAOYSA-N 1 0 373.497 2.380 20 30 FEEDRO C[NH+]1CCC2(CCCN2C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)CC1 ZINC000378338105 558532695 /nfs/dbraw/zinc/53/26/95/558532695.db2.gz XFCFYEZEOAOKCE-UHFFFAOYSA-N 1 0 364.453 2.027 20 30 FEEDRO C[C@H]1CN(C(=O)c2c(F)cc(C#N)cc2F)CCN1C1CC[NH+](C)CC1 ZINC000378366825 558540345 /nfs/dbraw/zinc/54/03/45/558540345.db2.gz PLMDSHLSWKURRJ-ZDUSSCGKSA-N 1 0 362.424 2.077 20 30 FEEDRO C[C@@H](C[NH2+]CCS(=O)(=O)c1cccc(C#N)c1)N(C)Cc1ccccc1 ZINC000390715383 558611460 /nfs/dbraw/zinc/61/14/60/558611460.db2.gz KKEFTCVSTIDNEA-KRWDZBQOSA-N 1 0 371.506 2.442 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)NCCC[NH2+]Cc2cccnc2)c(Cl)c1 ZINC000392480475 558617779 /nfs/dbraw/zinc/61/77/79/558617779.db2.gz BXMCRHAZVAHFPI-UHFFFAOYSA-N 1 0 364.858 2.065 20 30 FEEDRO CC[NH+](CC)C[C@@H](C)NC(=O)N1CCN(c2ccc(C#N)cc2F)CC1 ZINC000523876521 562221139 /nfs/dbraw/zinc/22/11/39/562221139.db2.gz KPPVELMOWJVKGR-OAHLLOKOSA-N 1 0 361.465 2.259 20 30 FEEDRO C[N@@H+]1CCO[C@H]2CN(c3c(C#N)cnc4c(Br)cccc43)C[C@@H]21 ZINC000408424795 558675982 /nfs/dbraw/zinc/67/59/82/558675982.db2.gz XRBIELYITRWIKT-GJZGRUSLSA-N 1 0 373.254 2.388 20 30 FEEDRO CCN(CCC#N)S(=O)(=O)NC[C@@H](c1ccccc1)[NH+](CC)CC ZINC000409534439 558700772 /nfs/dbraw/zinc/70/07/72/558700772.db2.gz JEPJVHWBWPWBOY-KRWDZBQOSA-N 1 0 352.504 2.139 20 30 FEEDRO CCN(CCC#N)S(=O)(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000409550504 558702501 /nfs/dbraw/zinc/70/25/01/558702501.db2.gz FZOFRFWKZQPZEQ-UHFFFAOYSA-N 1 0 356.536 2.245 20 30 FEEDRO CCN(C[C@@H](C)C#N)S(=O)(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000409566689 558703837 /nfs/dbraw/zinc/70/38/37/558703837.db2.gz BPAZAPQNSILQFR-BBWFWOEESA-N 1 0 358.552 2.060 20 30 FEEDRO CCN(CCC#N)S(=O)(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000409575403 558704429 /nfs/dbraw/zinc/70/44/29/558704429.db2.gz RFFGJDNEANQHOU-UHFFFAOYSA-N 1 0 356.536 2.055 20 30 FEEDRO C[C@@H]1CN(c2ccc(C(F)(F)F)c(C#N)n2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000409719612 558715965 /nfs/dbraw/zinc/71/59/65/558715965.db2.gz ZCMKOFJWEWZUEM-CZUORRHYSA-N 1 0 367.419 2.434 20 30 FEEDRO C=CC[C@H](CC)NC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(F)c1 ZINC000411494259 558905018 /nfs/dbraw/zinc/90/50/18/558905018.db2.gz SMQQRZOTCLSWEY-ZDUSSCGKSA-N 1 0 351.422 2.176 20 30 FEEDRO C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)Nc1ccc(C[NH+](C)C)c(C)c1 ZINC000411494566 558905031 /nfs/dbraw/zinc/90/50/31/558905031.db2.gz SYWQQRBGPLWTNY-MAUKXSAKSA-N 1 0 359.470 2.093 20 30 FEEDRO CCOC(=O)[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000411787687 558962966 /nfs/dbraw/zinc/96/29/66/558962966.db2.gz LISCPGWYHMNDAE-SQNIBIBYSA-N 1 0 355.438 2.375 20 30 FEEDRO COCC[C@H](C)CNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000413625512 559121206 /nfs/dbraw/zinc/12/12/06/559121206.db2.gz NXCBLICBZCIALN-KRWDZBQOSA-N 1 0 358.486 2.448 20 30 FEEDRO C=CCOc1c(Br)cc(C[NH2+]C[C@@H]2CNC(=O)C2)cc1OC ZINC000414479249 559167682 /nfs/dbraw/zinc/16/76/82/559167682.db2.gz GYRMMYRFJAULAP-GFCCVEGCSA-N 1 0 369.259 2.248 20 30 FEEDRO N#Cc1ccccc1COc1cccc(C[N@@H+]2CC[C@@H](O)[C@H](CO)C2)c1 ZINC000414551520 559171182 /nfs/dbraw/zinc/17/11/82/559171182.db2.gz BNIMPCQPZNETME-PZJWPPBQSA-N 1 0 352.434 2.312 20 30 FEEDRO CC[NH2+]Cc1cccc(NC(=O)C(=O)N[C@@H](C)c2ccc(C#N)cc2)c1 ZINC000414686086 559179584 /nfs/dbraw/zinc/17/95/84/559179584.db2.gz AOTQHQRRVALRIA-AWEZNQCLSA-N 1 0 350.422 2.484 20 30 FEEDRO C[C@@H]1C[NH+](Cc2ccccc2NCC(=O)NC2(C#N)CCC2)C[C@@H](C)O1 ZINC000527117685 562277016 /nfs/dbraw/zinc/27/70/16/562277016.db2.gz CJCHBSVHICOSHW-HZPDHXFCSA-N 1 0 356.470 2.270 20 30 FEEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(C)C[C@H](O)C[NH3+] ZINC000415114850 559205921 /nfs/dbraw/zinc/20/59/21/559205921.db2.gz DJFUGJAYMBUDIG-QGZVFWFLSA-N 1 0 368.437 2.229 20 30 FEEDRO N#Cc1ccc(NC(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)cc1C(F)(F)F ZINC000415216367 559215565 /nfs/dbraw/zinc/21/55/65/559215565.db2.gz RUHKUIJQFJEILQ-CQSZACIVSA-N 1 0 367.375 2.088 20 30 FEEDRO C=C(C)CN(Cc1ccc(CO)o1)C(=O)C(=O)Nc1ccc(C[NH2+]C)cc1 ZINC000415226920 559216384 /nfs/dbraw/zinc/21/63/84/559216384.db2.gz JHLHZYAVJYZRKY-UHFFFAOYSA-N 1 0 371.437 2.035 20 30 FEEDRO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)Nc2ccccc2SC[C@H](C)C#N)C1 ZINC000415287485 559221293 /nfs/dbraw/zinc/22/12/93/559221293.db2.gz WNAJUDPOHIQWDK-CABCVRRESA-N 1 0 374.510 2.335 20 30 FEEDRO N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N[C@H]3CCC[NH2+]C3)cc2)cc1 ZINC000415319602 559223767 /nfs/dbraw/zinc/22/37/67/559223767.db2.gz UAOITNSBTYHSBK-INIZCTEOSA-N 1 0 364.405 2.157 20 30 FEEDRO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)Nc2cccc(C#Cc3ccccc3)c2)C1 ZINC000415397319 559231168 /nfs/dbraw/zinc/23/11/68/559231168.db2.gz QXZWVBPXNAWZTN-IBGZPJMESA-N 1 0 361.445 2.093 20 30 FEEDRO C[NH2+]C[C@H](C)CNC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000415403742 559232046 /nfs/dbraw/zinc/23/20/46/559232046.db2.gz AFDQGWNHEOCCJX-AWEZNQCLSA-N 1 0 366.421 2.261 20 30 FEEDRO C[C@@H](CCCC[NH3+])NC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 ZINC000415438177 559236861 /nfs/dbraw/zinc/23/68/61/559236861.db2.gz CFWYJJRCUJIGRA-LBPRGKRZSA-N 1 0 360.849 3.036 20 30 FEEDRO CC(C)C[C@@](C)(C[NH3+])NC(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 ZINC000415441293 559237420 /nfs/dbraw/zinc/23/74/20/559237420.db2.gz PACSHMIRWMBHSH-SFHVURJKSA-N 1 0 358.421 2.768 20 30 FEEDRO C[C@@H]1CN(C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)[C@@H](C)C[NH2+]1 ZINC000415446714 559237878 /nfs/dbraw/zinc/23/78/78/559237878.db2.gz HKSMTNZCZSGDOX-NEPJUHHUSA-N 1 0 358.833 2.611 20 30 FEEDRO CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)NCC[NH2+]C1CCCCCC1 ZINC000415446156 559238014 /nfs/dbraw/zinc/23/80/14/559238014.db2.gz FXHPQOGSKHOARO-UHFFFAOYSA-N 1 0 373.501 2.482 20 30 FEEDRO CN(CC(C)(C)C[NH3+])C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 ZINC000415448345 559238104 /nfs/dbraw/zinc/23/81/04/559238104.db2.gz HTWFYWPWLDEVQR-UHFFFAOYSA-N 1 0 360.849 2.846 20 30 FEEDRO N#Cc1cc(NC(=O)C(=O)N[C@@H](C[NH3+])C2CC2)ccc1Oc1ccccc1 ZINC000415456149 559239031 /nfs/dbraw/zinc/23/90/31/559239031.db2.gz SKPYBGRZVCECTD-KRWDZBQOSA-N 1 0 364.405 2.143 20 30 FEEDRO N#Cc1ccc(-n2ccc(NC(=O)N[C@H]3CC[C@H](C[NH3+])C3)n2)c(Cl)c1 ZINC000415464620 559240001 /nfs/dbraw/zinc/24/00/01/559240001.db2.gz RQVHQMVXDNEHGB-AAEUAGOBSA-N 1 0 358.833 2.646 20 30 FEEDRO COCCOc1ccc(C#N)cc1NC(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000415463906 559240100 /nfs/dbraw/zinc/24/01/00/559240100.db2.gz KTJCAWRSPQMNKZ-INIZCTEOSA-N 1 0 354.410 2.405 20 30 FEEDRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)C1 ZINC000415470957 559240670 /nfs/dbraw/zinc/24/06/70/559240670.db2.gz ZLIIEDHEJPMSCN-NEPJUHHUSA-N 1 0 358.833 2.598 20 30 FEEDRO C[C@H]([NH3+])c1ccc(CNC(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)cc1 ZINC000415502508 559244183 /nfs/dbraw/zinc/24/41/83/559244183.db2.gz XCLWCIHHXYMSKN-ZDUSSCGKSA-N 1 0 367.453 2.389 20 30 FEEDRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)Nc1cccc(C#Cc2ccccc2)c1 ZINC000415542718 559247984 /nfs/dbraw/zinc/24/79/84/559247984.db2.gz QPXPDCWOEVAQHB-APWZRJJASA-N 1 0 361.445 2.221 20 30 FEEDRO C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N[C@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000415603737 559254346 /nfs/dbraw/zinc/25/43/46/559254346.db2.gz UNTAYSXOVVFHRW-WWGRRREGSA-N 1 0 364.471 2.011 20 30 FEEDRO C[C@H]1C[C@H](NC(=O)C(=O)Nc2cccc(C#Cc3ccccc3)c2)CC[NH2+]1 ZINC000415655551 559258609 /nfs/dbraw/zinc/25/86/09/559258609.db2.gz HSCZVZAPJGGSDC-OXJNMPFZSA-N 1 0 361.445 2.282 20 30 FEEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000415698141 559263125 /nfs/dbraw/zinc/26/31/25/559263125.db2.gz XUESSPSFGYBAMQ-UGSOOPFHSA-N 1 0 360.483 2.074 20 30 FEEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000415751295 559267636 /nfs/dbraw/zinc/26/76/36/559267636.db2.gz VYXKOUQJDIZLSJ-QLFBSQMISA-N 1 0 372.494 2.087 20 30 FEEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000415767329 559269265 /nfs/dbraw/zinc/26/92/65/559269265.db2.gz MPWGXRXWHHKJMG-ILXRZTDVSA-N 1 0 372.494 2.087 20 30 FEEDRO C=CCOc1ccc(Br)cc1NC(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000415802125 559272732 /nfs/dbraw/zinc/27/27/32/559272732.db2.gz HVJNSHDRDHXAPN-LBPRGKRZSA-N 1 0 370.247 2.205 20 30 FEEDRO CC(C)(C)c1csc(NC(=O)C(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)c1C#N ZINC000415817272 559274448 /nfs/dbraw/zinc/27/44/48/559274448.db2.gz UXHPTGGKDHHBSV-NEPJUHHUSA-N 1 0 362.499 2.489 20 30 FEEDRO CC1(C)C[NH2+][C@H]1C1CCN(C(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)CC1 ZINC000415861853 559279415 /nfs/dbraw/zinc/27/94/15/559279415.db2.gz PCILORJOHVKFHA-INIZCTEOSA-N 1 0 374.872 2.387 20 30 FEEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCCC1=CC[NH2+]CC1 ZINC000415883283 559281084 /nfs/dbraw/zinc/28/10/84/559281084.db2.gz YFMIZSLXSRAQOB-CQSZACIVSA-N 1 0 372.494 2.445 20 30 FEEDRO N#Cc1cccc(OC2CCN(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)CC2)c1 ZINC000416009285 559288932 /nfs/dbraw/zinc/28/89/32/559288932.db2.gz OPCOQKVFDFVYDY-HNNXBMFYSA-N 1 0 370.375 2.391 20 30 FEEDRO CC[C@H](C)[N@H+](C)CCNS(=O)(=O)c1cc(Br)ccc1C#N ZINC000416390829 559309532 /nfs/dbraw/zinc/30/95/32/559309532.db2.gz PSYQLPCKKIRKMQ-NSHDSACASA-N 1 0 374.304 2.329 20 30 FEEDRO COC(=O)[C@H]1CN(C(=O)Nc2ccc(C(C)(C)C#N)cc2)CC[N@H+](C)C1 ZINC000416759652 559331569 /nfs/dbraw/zinc/33/15/69/559331569.db2.gz MQDWEORVKAMUBM-CQSZACIVSA-N 1 0 358.442 2.056 20 30 FEEDRO C=CCc1cc(CNC(=O)N[C@H](CC[NH3+])C(F)F)cc(OC)c1OC ZINC000417392988 559360569 /nfs/dbraw/zinc/36/05/69/559360569.db2.gz TYHCRLCUGSJJKI-CYBMUJFWSA-N 1 0 357.401 2.214 20 30 FEEDRO C[C@]1(C[NH3+])CCN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)C1 ZINC000417572906 559367257 /nfs/dbraw/zinc/36/72/57/559367257.db2.gz HANKELAXFNRYNJ-DNVCBOLYSA-N 1 0 359.449 2.046 20 30 FEEDRO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000417581078 559367709 /nfs/dbraw/zinc/36/77/09/559367709.db2.gz SBWKQZJTMDUXST-YSVLISHTSA-N 1 0 359.449 2.106 20 30 FEEDRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000417584756 559368002 /nfs/dbraw/zinc/36/80/02/559368002.db2.gz YNNGDKNFYFZCPA-BMFZPTHFSA-N 1 0 359.449 2.045 20 30 FEEDRO COCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000418450241 559402199 /nfs/dbraw/zinc/40/21/99/559402199.db2.gz LIJHXKYCLUJVDV-IBGZPJMESA-N 1 0 352.438 2.416 20 30 FEEDRO CN(CCOCc1ccc(C#N)cc1)C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000418614173 559407887 /nfs/dbraw/zinc/40/78/87/559407887.db2.gz KNGMRSWLBSFZLK-GOSISDBHSA-N 1 0 358.486 2.494 20 30 FEEDRO N#Cc1ccccc1N1CCCN(C(=O)NCCC[C@@H]2CCC[NH2+]2)CC1 ZINC000418741381 559413467 /nfs/dbraw/zinc/41/34/67/559413467.db2.gz ASZLJQQIPFVIBC-SFHVURJKSA-N 1 0 355.486 2.312 20 30 FEEDRO C[N@H+](CCN1C(=O)N[C@@](C)(c2cccc(C#N)c2)C1=O)Cc1ccccc1 ZINC000418871282 559420225 /nfs/dbraw/zinc/42/02/25/559420225.db2.gz VFEFYVARQVLYLX-NRFANRHFSA-N 1 0 362.433 2.457 20 30 FEEDRO C=CCCC[C@@H](C)NC(=O)C(=O)N1CCNC[C@@H]1c1ccccc1OC ZINC000419155521 559430315 /nfs/dbraw/zinc/43/03/15/559430315.db2.gz RRKUEOSGFFRXAA-NVXWUHKLSA-N 1 0 359.470 2.029 20 30 FEEDRO C=CCC[C@@H](NC(=O)C(=O)NCCC[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000419468348 559443936 /nfs/dbraw/zinc/44/39/36/559443936.db2.gz BCXDYIDWKGURPI-CQSZACIVSA-N 1 0 357.376 2.294 20 30 FEEDRO C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@H]2CCCc3cc(C#N)ccc32)[C@@H](C)C1 ZINC000419627139 559450408 /nfs/dbraw/zinc/45/04/08/559450408.db2.gz XUBUNYMGHJUHRY-DOXZYTNZSA-N 1 0 356.470 2.032 20 30 FEEDRO C=CCC[C@H](NC(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@@H]1C)c1ccccc1 ZINC000419663877 559452547 /nfs/dbraw/zinc/45/25/47/559452547.db2.gz KYNZKGHKCZQCDO-PVAVHDDUSA-N 1 0 359.470 2.039 20 30 FEEDRO C=C(C)[C@H](NC(=O)C(=O)N1CCCC[C@@H]1[C@H](C)[NH3+])c1ccc(F)c(F)c1 ZINC000419679959 559453693 /nfs/dbraw/zinc/45/36/93/559453693.db2.gz QIVSUEMHACQIML-VUCTXSBTSA-N 1 0 365.424 2.427 20 30 FEEDRO C=C(C)[C@@H](NC(=O)C(=O)NCC1([NH3+])CCCCC1)c1ccc(F)c(F)c1 ZINC000419686606 559454177 /nfs/dbraw/zinc/45/41/77/559454177.db2.gz ZOCLFCNOSBGMGL-MRXNPFEDSA-N 1 0 365.424 2.476 20 30 FEEDRO Cc1ccc(C#N)cc1S(=O)(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000420468079 559489217 /nfs/dbraw/zinc/48/92/17/559489217.db2.gz FOWZLDCJLBIFSX-DLBZAZTESA-N 1 0 359.426 2.121 20 30 FEEDRO CNC(=O)[C@H]1CC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000420969898 559515575 /nfs/dbraw/zinc/51/55/75/559515575.db2.gz FOVVBGBLWDEMRP-IRXDYDNUSA-N 1 0 356.470 2.007 20 30 FEEDRO CCOC(=O)c1c(NC(=O)N2CC[N@H+](C)[C@@H](C)[C@H]2C)c(C#N)cn1CC ZINC000421176719 559529033 /nfs/dbraw/zinc/52/90/33/559529033.db2.gz SVKUMCZOJYJEON-QWHCGFSZSA-N 1 0 361.446 2.113 20 30 FEEDRO C[NH+]1CCN(Cc2ccc(C(=O)NCc3ccc(C#N)s3)cc2)CC1 ZINC000421907502 559556146 /nfs/dbraw/zinc/55/61/46/559556146.db2.gz BRDDGTUVRFNGIL-UHFFFAOYSA-N 1 0 354.479 2.297 20 30 FEEDRO C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000422083603 559564250 /nfs/dbraw/zinc/56/42/50/559564250.db2.gz IXDHFDFFMYLMOF-QRVBRYPASA-N 1 0 355.482 2.033 20 30 FEEDRO C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)NCCC1CC[NH+](C)CC1 ZINC000422269302 559574588 /nfs/dbraw/zinc/57/45/88/559574588.db2.gz LUZICIIBGJDGKW-LJQANCHMSA-N 1 0 357.498 2.138 20 30 FEEDRO CC(C)N(Cc1ccc(C#N)cc1)C(=O)C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000422485534 559591203 /nfs/dbraw/zinc/59/12/03/559591203.db2.gz DGVUNFBNTHEDKN-GOSISDBHSA-N 1 0 370.497 2.143 20 30 FEEDRO CN(C(=O)C(=O)NCC(C)(C)CC#N)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000422489272 559591403 /nfs/dbraw/zinc/59/14/03/559591403.db2.gz PAIQYWBVUBELCU-SFHVURJKSA-N 1 0 370.497 2.165 20 30 FEEDRO C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000422529904 559593136 /nfs/dbraw/zinc/59/31/36/559593136.db2.gz PTIQFSMVAPOAMV-PMACEKPBSA-N 1 0 369.509 2.377 20 30 FEEDRO C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000422536671 559593543 /nfs/dbraw/zinc/59/35/43/559593543.db2.gz DDSLCNHCZPBYKK-QXAKKESOSA-N 1 0 357.498 2.231 20 30 FEEDRO CC(=O)Nc1ccc(Br)cc1NC(=O)[C@H]([NH3+])CCCC#N ZINC000424114742 559655271 /nfs/dbraw/zinc/65/52/71/559655271.db2.gz SIQFUMJSKYHBSY-LLVKDONJSA-N 1 0 353.220 2.367 20 30 FEEDRO C=CCn1c([C@H]2CCCS2)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000424117630 559655393 /nfs/dbraw/zinc/65/53/93/559655393.db2.gz BOMCWPCURYNFNR-JKSUJKDBSA-N 1 0 363.531 2.191 20 30 FEEDRO N#CCCC[C@H]([NH3+])C(=O)Nc1cccc(-c2ccc3c(c2)OCCO3)n1 ZINC000424143943 559656029 /nfs/dbraw/zinc/65/60/29/559656029.db2.gz KHJBQZYYBMDRCE-AWEZNQCLSA-N 1 0 352.394 2.479 20 30 FEEDRO C[C@@H](c1ccc(F)cc1F)N1CCN(C(=O)[C@@H]([NH3+])CCCC#N)CC1 ZINC000424153179 559656218 /nfs/dbraw/zinc/65/62/18/559656218.db2.gz JREPQZVMFNJLAH-GUYCJALGSA-N 1 0 350.413 2.191 20 30 FEEDRO CCOc1ccccc1CN1CCN(C(=O)[C@@H]([NH3+])CCCC#N)[C@H](C)C1 ZINC000424178538 559656990 /nfs/dbraw/zinc/65/69/90/559656990.db2.gz WWCQRODFOROPDD-AEFFLSMTSA-N 1 0 358.486 2.139 20 30 FEEDRO N#CCCC[C@H]([NH3+])C(=O)N1CCOc2ccc(Br)cc2C1 ZINC000424189705 559657058 /nfs/dbraw/zinc/65/70/58/559657058.db2.gz NQNRRZDVIYVNGE-ZDUSSCGKSA-N 1 0 352.232 2.191 20 30 FEEDRO N#Cc1ccc(N2CCC[C@H](NC(=O)N[C@@H]3CCCC[C@H]3[NH3+])C2)c(F)c1 ZINC000424467773 559666439 /nfs/dbraw/zinc/66/64/39/559666439.db2.gz WHPLPDLKEPPSGE-USXIJHARSA-N 1 0 359.449 2.235 20 30 FEEDRO C=CCn1cc(CNC(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)nn1 ZINC000424908016 559679751 /nfs/dbraw/zinc/67/97/51/559679751.db2.gz MTJOOZLFYWRKHV-INIZCTEOSA-N 1 0 357.433 2.132 20 30 FEEDRO C[C@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000425384994 559699152 /nfs/dbraw/zinc/69/91/52/559699152.db2.gz MWOWPWGOTDZSKV-APWZRJJASA-N 1 0 368.481 2.164 20 30 FEEDRO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000425383938 559699281 /nfs/dbraw/zinc/69/92/81/559699281.db2.gz LFQJVOHASHTWKE-FUHWJXTLSA-N 1 0 368.481 2.022 20 30 FEEDRO C=CCn1cc(CNC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)nn1 ZINC000425417357 559701221 /nfs/dbraw/zinc/70/12/21/559701221.db2.gz HPHAYUFPWXRULE-UHFFFAOYSA-N 1 0 368.485 2.236 20 30 FEEDRO C=CCn1cc(CNC(=O)NC[C@H]2CCC[N@@H+]2CC2CCCCC2)nn1 ZINC000425442520 559702447 /nfs/dbraw/zinc/70/24/47/559702447.db2.gz JMFSDBLUUKYVDS-GOSISDBHSA-N 1 0 360.506 2.308 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000425564063 559709929 /nfs/dbraw/zinc/70/99/29/559709929.db2.gz AHMSKMHYWKQFQR-ICSRJNTNSA-N 1 0 373.497 2.034 20 30 FEEDRO C=CCn1cc(CNC(=O)N(CC)Cc2ccc(C[NH+](C)C)cc2)nn1 ZINC000425569628 559710209 /nfs/dbraw/zinc/71/02/09/559710209.db2.gz ZEWUMRRVDYHBKQ-UHFFFAOYSA-N 1 0 356.474 2.257 20 30 FEEDRO C=CCn1cc(CNC(=O)NC[C@@H](c2ccc(CC)cc2)[NH+](C)C)nn1 ZINC000425651653 559713099 /nfs/dbraw/zinc/71/30/99/559713099.db2.gz YNEUEBKYRXCBAC-SFHVURJKSA-N 1 0 356.474 2.129 20 30 FEEDRO CC(C)[NH+](CCNC(=O)C(=O)N(C)[C@@H](C)c1cccc(C#N)c1)C(C)C ZINC000425862174 559723179 /nfs/dbraw/zinc/72/31/79/559723179.db2.gz JQKARTUUKGIPOW-INIZCTEOSA-N 1 0 358.486 2.313 20 30 FEEDRO C=C[C@@H]1CCCCN1C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000426052778 559728541 /nfs/dbraw/zinc/72/85/41/559728541.db2.gz ZQJNPQVUWXQWJS-QGZVFWFLSA-N 1 0 364.534 2.363 20 30 FEEDRO C=CCC[C@H](C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ccccc1 ZINC000427121867 559748524 /nfs/dbraw/zinc/74/85/24/559748524.db2.gz MNRZIKXCTCPIDR-MOPGFXCFSA-N 1 0 357.498 2.440 20 30 FEEDRO Cc1ccc(OC[C@H](O)C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)c(C)c1 ZINC000428771054 559782803 /nfs/dbraw/zinc/78/28/03/559782803.db2.gz HGDJZWAMWBYFQJ-MOPGFXCFSA-N 1 0 367.449 2.463 20 30 FEEDRO COC(=O)[C@]1(c2ccccc2)CC[N@@H+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000428803045 559783735 /nfs/dbraw/zinc/78/37/35/559783735.db2.gz IFPHOSQVGNLLHL-TYCQWZJGSA-N 1 0 371.481 2.246 20 30 FEEDRO C=CC[N@@H+](C)CCN(CC)[C@H]1CCN(c2sccc2C(=O)OC)C1=O ZINC000429727598 559804737 /nfs/dbraw/zinc/80/47/37/559804737.db2.gz VNBCEKPTADDYJV-HNNXBMFYSA-N 1 0 365.499 2.080 20 30 FEEDRO C=CCN1C(=O)c2ccc(C(=O)N3CCC[C@H]([NH+](C)C)CC3)cc2C1=O ZINC000430431608 559820082 /nfs/dbraw/zinc/82/00/82/559820082.db2.gz NXCQGTWEJLSRIV-HNNXBMFYSA-N 1 0 355.438 2.025 20 30 FEEDRO Cc1cc(NC(=O)COc2ccccc2C#N)n(C2CC[NH+](C)CC2)n1 ZINC000430450468 559820274 /nfs/dbraw/zinc/82/02/74/559820274.db2.gz PWDGVUIYNHLEOR-UHFFFAOYSA-N 1 0 353.426 2.347 20 30 FEEDRO Cc1noc(CCC[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)n1 ZINC000433327949 559876955 /nfs/dbraw/zinc/87/69/55/559876955.db2.gz UQCWRLOAKLVZLG-UHFFFAOYSA-N 1 0 351.414 2.273 20 30 FEEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)c1ncn([C@@H]2CCC[NH2+]C2)n1 ZINC000433393259 559879657 /nfs/dbraw/zinc/87/96/57/559879657.db2.gz CECHHQJSYQSENI-MRXNPFEDSA-N 1 0 355.442 2.040 20 30 FEEDRO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NCC(C)(C)[NH+]1CCC(OC)CC1 ZINC000437724580 559968543 /nfs/dbraw/zinc/96/85/43/559968543.db2.gz VCSCLVWRAQOFOA-NVXWUHKLSA-N 1 0 353.507 2.156 20 30 FEEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)N=c2ccn(CCC#N)[nH]2)C1 ZINC000438334683 559977564 /nfs/dbraw/zinc/97/75/64/559977564.db2.gz MPMRZHSGGLLDLX-NVXWUHKLSA-N 1 0 352.442 2.754 20 30 FEEDRO Cc1cc2cc[nH]c2cc1NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C ZINC000438759213 559983217 /nfs/dbraw/zinc/98/32/17/559983217.db2.gz XSJDXWKOUTZMCG-UHFFFAOYSA-N 1 0 355.442 2.109 20 30 FEEDRO N#Cc1ccc([C@@H]([NH2+]CCc2ccn(-c3ccc(F)cc3)n2)C(N)=O)cc1 ZINC000439632476 559998413 /nfs/dbraw/zinc/99/84/13/559998413.db2.gz IBOJINZBFFCNLW-LJQANCHMSA-N 1 0 363.396 2.242 20 30 FEEDRO CO[C@@H]1C[C@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)C1(C)C ZINC000440342493 560009102 /nfs/dbraw/zinc/00/91/02/560009102.db2.gz RLKVVFUWHMEFSZ-ZWKOTPCHSA-N 1 0 358.486 2.445 20 30 FEEDRO COc1cc(C[NH2+]Cc2cccc(C(=O)N3CCOCC3)c2)ccc1C#N ZINC000440625796 560015120 /nfs/dbraw/zinc/01/51/20/560015120.db2.gz DQTHJFLFMHZGLU-UHFFFAOYSA-N 1 0 365.433 2.329 20 30 FEEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@H](Cn1ccnc1)c1ccc(C)cc1C ZINC000441388535 560030766 /nfs/dbraw/zinc/03/07/66/560030766.db2.gz RZOAWLDGNMUNCZ-SJLPKXTDSA-N 1 0 369.469 2.231 20 30 FEEDRO C=CCCS(=O)(=O)N1CCN(Cc2ccccc2OCC)C[C@@H]1C ZINC000443085798 560070122 /nfs/dbraw/zinc/07/01/22/560070122.db2.gz DBTBWGPQRVLOKI-INIZCTEOSA-N 1 0 352.500 2.497 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cc(Cl)cc(F)c2F)CC1 ZINC000443295351 560078400 /nfs/dbraw/zinc/07/84/00/560078400.db2.gz AQPBJIPDDZOLCJ-UHFFFAOYSA-N 1 0 357.788 2.323 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNS(=O)(=O)c1cn(C(C)C)cn1)C(C)C ZINC000444106447 560101769 /nfs/dbraw/zinc/10/17/69/560101769.db2.gz GMKAGSUEHIFZEE-MRXNPFEDSA-N 1 0 354.520 2.441 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNS(=O)(=O)c1c(C)nn(CC)c1C)C(C)C ZINC000444107476 560101809 /nfs/dbraw/zinc/10/18/09/560101809.db2.gz SHKFQJGKTSBVQF-KRWDZBQOSA-N 1 0 368.547 2.497 20 30 FEEDRO C[NH+](C)C[C@@H](O)COc1ccc(NC(=O)c2cccc(CC#N)c2)cc1 ZINC000444547464 560115394 /nfs/dbraw/zinc/11/53/94/560115394.db2.gz MYWJRAQTCGHLDV-GOSISDBHSA-N 1 0 353.422 2.306 20 30 FEEDRO CN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 ZINC000445932131 560137104 /nfs/dbraw/zinc/13/71/04/560137104.db2.gz KBVKVFPOLMOXLR-UHFFFAOYSA-N 1 0 366.421 2.309 20 30 FEEDRO COCC[C@]1([NH2+]CC(=O)N(CCC#N)c2cccc(Cl)c2)CCOC1 ZINC000447402662 560161733 /nfs/dbraw/zinc/16/17/33/560161733.db2.gz LKHVKLSJPGIDMV-SFHVURJKSA-N 1 0 365.861 2.372 20 30 FEEDRO N#Cc1cccc(-c2cc(C(=O)NCCCC[N@H+]3CCC[C@H]3CO)on2)c1 ZINC000447552544 560164345 /nfs/dbraw/zinc/16/43/45/560164345.db2.gz NZPSBOVLUUJKAT-KRWDZBQOSA-N 1 0 368.437 2.180 20 30 FEEDRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNS(=O)(=O)Cc1ccc(C#N)cc1F ZINC000447940947 560174016 /nfs/dbraw/zinc/17/40/16/560174016.db2.gz JLANOLLLIZIZFR-INIZCTEOSA-N 1 0 353.463 2.237 20 30 FEEDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(Br)cc1C#N ZINC000448911715 560206247 /nfs/dbraw/zinc/20/62/47/560206247.db2.gz QSCKTXABGALNFS-AWEZNQCLSA-N 1 0 366.259 2.161 20 30 FEEDRO C[C@@H]1C[C@@H](NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC[N@@H+]1C ZINC000449942637 560245942 /nfs/dbraw/zinc/24/59/42/560245942.db2.gz UTYIZOJXAVCNBQ-YUELXQCFSA-N 1 0 374.872 2.163 20 30 FEEDRO CN(C(=O)c1ccc(C#N)n1C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000450229060 560254834 /nfs/dbraw/zinc/25/48/34/560254834.db2.gz WDDPLFBOSKVOCN-RTBURBONSA-N 1 0 371.529 2.306 20 30 FEEDRO C[NH+]1CCN(c2ccc(CNc3cccc(C#N)c3[N+](=O)[O-])cn2)CC1 ZINC000450247870 560255699 /nfs/dbraw/zinc/25/56/99/560255699.db2.gz ZUBRWWZRJYWCCC-UHFFFAOYSA-N 1 0 352.398 2.225 20 30 FEEDRO N#Cc1cnc(Sc2nnc([C@@H]3CCC[NH2+]C3)n2C2CC2)c([N+](=O)[O-])c1 ZINC000450339596 560259284 /nfs/dbraw/zinc/25/92/84/560259284.db2.gz BDTFDWKPSSAKJW-LLVKDONJSA-N 1 0 371.426 2.406 20 30 FEEDRO CC(=O)N1CCC[N@H+](C[C@H]2CCCN(c3nc(C)cc(C)c3C#N)C2)CC1 ZINC000450749589 560272149 /nfs/dbraw/zinc/27/21/49/560272149.db2.gz YXGLCHQEVONCMB-LJQANCHMSA-N 1 0 369.513 2.341 20 30 FEEDRO Cc1ccccc1CC[N@@H+](C)CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1 ZINC000451168907 560291069 /nfs/dbraw/zinc/29/10/69/560291069.db2.gz YCRREWJCJCZQMC-FQEVSTJZSA-N 1 0 356.514 2.162 20 30 FEEDRO COC[C@@]1(C(=O)OC)CC[N@H+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000451330701 560300698 /nfs/dbraw/zinc/30/06/98/560300698.db2.gz BFKDZKUUFCBHKP-QGZVFWFLSA-N 1 0 354.353 2.171 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]CC(=O)Nc1sc(C)c(C)c1C(=O)OCC ZINC000451609922 560317358 /nfs/dbraw/zinc/31/73/58/560317358.db2.gz WYLILBIHVCUNGZ-OLZOCXBDSA-N 1 0 352.456 2.413 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]CCNC(=O)NC(C)(C)COCc1ccccc1 ZINC000451616252 560317526 /nfs/dbraw/zinc/31/75/26/560317526.db2.gz ZBHQTJNPHVSAOA-MSOLQXFVSA-N 1 0 361.486 2.214 20 30 FEEDRO CO[C@@H]1CCC[C@H]1[NH2+]CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000451631518 560318190 /nfs/dbraw/zinc/31/81/90/560318190.db2.gz LXWSSPJKVKAKCT-HZPDHXFCSA-N 1 0 354.372 2.330 20 30 FEEDRO Cc1[nH]c(C#N)cc1C(=O)N(C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000451680177 560321595 /nfs/dbraw/zinc/32/15/95/560321595.db2.gz IRYLDMFIPNQXGY-UHFFFAOYSA-N 1 0 365.481 2.085 20 30 FEEDRO C[C@H]1CN(CC(=O)N[C@](C)(C#N)C2CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000451706069 560323428 /nfs/dbraw/zinc/32/34/28/560323428.db2.gz JRKFHOLUSKXZNO-DYESRHJHSA-N 1 0 354.498 2.249 20 30 FEEDRO C=CCn1c([C@@H]2CCCCO2)nnc1N1CC[N@@H+](CCOCC)[C@H](C)C1 ZINC000453440920 560386713 /nfs/dbraw/zinc/38/67/13/560386713.db2.gz NPFXRTACKFJYGX-SJORKVTESA-N 1 0 363.506 2.253 20 30 FEEDRO Cc1cc(C#N)cc(NC(=O)C(=O)NC[C@H](c2cccs2)[NH+](C)C)c1 ZINC000453584602 560389651 /nfs/dbraw/zinc/38/96/51/560389651.db2.gz WPENNVIJXXJPES-OAHLLOKOSA-N 1 0 356.451 2.286 20 30 FEEDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)Nc1ccc(CC#N)cc1Cl ZINC000453617661 560391418 /nfs/dbraw/zinc/39/14/18/560391418.db2.gz YSPPASMBUGQIFY-ZDUSSCGKSA-N 1 0 362.861 2.335 20 30 FEEDRO C[NH+](C)C1CCN(C(=O)C(=O)Nc2sc(C(C)(C)C)cc2C#N)CC1 ZINC000453624278 560391850 /nfs/dbraw/zinc/39/18/50/560391850.db2.gz PZKWSIUOXVDFEJ-UHFFFAOYSA-N 1 0 362.499 2.408 20 30 FEEDRO N#CCc1cccc(NC(=O)C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000453653693 560393723 /nfs/dbraw/zinc/39/37/23/560393723.db2.gz HDXNFYCWZGTNTC-QGZVFWFLSA-N 1 0 354.454 2.026 20 30 FEEDRO CC[C@@H](C)[NH2+][C@H](CNC(=O)C(=O)Nc1ccc(C#N)c(C)n1)c1ccco1 ZINC000453754286 560401728 /nfs/dbraw/zinc/40/17/28/560401728.db2.gz WDROIPWJTFSPHA-IUODEOHRSA-N 1 0 369.425 2.039 20 30 FEEDRO CC(C)Oc1ccc(NC(=O)NC[C@@H]2CCC[N@@H+]2CCCO)cc1C#N ZINC000454999136 560466854 /nfs/dbraw/zinc/46/68/54/560466854.db2.gz NTYZWEXVBNPARB-KRWDZBQOSA-N 1 0 360.458 2.314 20 30 FEEDRO C[N@H+](CCCCNC(=O)N1CCN(c2cccc(F)c2C#N)CC1)C1CC1 ZINC000455610447 560489184 /nfs/dbraw/zinc/48/91/84/560489184.db2.gz LENFTAGXOIWUME-UHFFFAOYSA-N 1 0 373.476 2.403 20 30 FEEDRO C[NH+](C)CCN1C[C@@H](C(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)CC1=O ZINC000456099352 560506853 /nfs/dbraw/zinc/50/68/53/560506853.db2.gz BHCHUQCVHNVSGA-HNNXBMFYSA-N 1 0 372.469 2.084 20 30 FEEDRO CC[C@H]1C[N@H+](CC)CCN1C(=O)CCc1c(C)nc2c(C#N)cnn2c1C ZINC000456357356 560517261 /nfs/dbraw/zinc/51/72/61/560517261.db2.gz SHLPHQNZDYUFAT-KRWDZBQOSA-N 1 0 368.485 2.093 20 30 FEEDRO C=CCC[C@H](CO)NC(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000458737396 560644822 /nfs/dbraw/zinc/64/48/22/560644822.db2.gz KAMQFMNRFMENSZ-WLYUNCDWSA-N 1 0 363.424 2.418 20 30 FEEDRO C=CCN(Cc1ccccc1)C(=O)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000459996074 560727339 /nfs/dbraw/zinc/72/73/39/560727339.db2.gz PLKSCWDRBVGLFO-IBGZPJMESA-N 1 0 355.482 2.288 20 30 FEEDRO CN(C)c1ccc(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)nc1 ZINC000460187302 560737336 /nfs/dbraw/zinc/73/73/36/560737336.db2.gz SJLQSCGCAJLBKA-UHFFFAOYSA-N 1 0 351.454 2.223 20 30 FEEDRO COc1cc(CNC(=O)c2ccccc2OCC[NH+](C)C)ccc1C#N ZINC000460595146 560746928 /nfs/dbraw/zinc/74/69/28/560746928.db2.gz CRNRKCLKHPQCAX-UHFFFAOYSA-N 1 0 353.422 2.437 20 30 FEEDRO C=C(C)Cn1c(C2CCC2)nnc1N1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000460804422 560752268 /nfs/dbraw/zinc/75/22/68/560752268.db2.gz PXUBVUQVDFKHNK-GOSISDBHSA-N 1 0 358.534 2.338 20 30 FEEDRO C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C)C[N@@H+](CC)CCC)cc1 ZINC000461620650 560777429 /nfs/dbraw/zinc/77/74/29/560777429.db2.gz QYWWOOFHHATGSJ-OAHLLOKOSA-N 1 0 367.515 2.001 20 30 FEEDRO N#C[C@@H]1CCC[C@@H]1NC(=O)NCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000461944954 560789073 /nfs/dbraw/zinc/78/90/73/560789073.db2.gz WNEHEBKCNUVKDZ-SNRMKQJTSA-N 1 0 356.470 2.135 20 30 FEEDRO COc1cc(CNC(=O)N[C@H]2CCO[C@H](c3cncn3C)C2)ccc1C#N ZINC000462473143 560811404 /nfs/dbraw/zinc/81/14/04/560811404.db2.gz NHFCBVLHBLHAFZ-YJBOKZPZSA-N 1 0 369.425 2.020 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CCC[C@]2(CNC(=O)C2)C1 ZINC000464803452 560851858 /nfs/dbraw/zinc/85/18/58/560851858.db2.gz YMMMDAOSWPSXHW-BEFAXECRSA-N 1 0 361.511 2.253 20 30 FEEDRO COC(=O)[C@H](C)[C@@H]([NH2+]CC(=O)NCc1cccc(C#N)c1)c1ccccc1 ZINC000464873810 560854243 /nfs/dbraw/zinc/85/42/43/560854243.db2.gz HXQYRIOUJAJDGQ-FOIQADDNSA-N 1 0 365.433 2.314 20 30 FEEDRO C[C@@H](C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)n1cnc(C#N)n1 ZINC000466985418 560900874 /nfs/dbraw/zinc/90/08/74/560900874.db2.gz KXLWYLBBROJEOR-ZDUSSCGKSA-N 1 0 372.860 2.145 20 30 FEEDRO C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CCN(C)C[C@H]2C(C)C)c(OC)c1 ZINC000471211254 561000712 /nfs/dbraw/zinc/00/07/12/561000712.db2.gz ILBPLRQUQQWPMM-OALUTQOASA-N 1 0 362.514 2.435 20 30 FEEDRO CC[C@@H]1C[N@H+](C[C@H](O)COc2ccc(C#N)cc2)[C@H](CC)CN1C(C)=O ZINC000472313894 561024137 /nfs/dbraw/zinc/02/41/37/561024137.db2.gz GVGOORMKFSVHFG-QRVBRYPASA-N 1 0 359.470 2.019 20 30 FEEDRO CN1CC[N@H+](C)C[C@H]1CNC(=O)Nc1ccccc1C#Cc1ccccc1 ZINC000472875193 561036963 /nfs/dbraw/zinc/03/69/63/561036963.db2.gz BBCPIVCAJUFGAR-HXUWFJFHSA-N 1 0 362.477 2.454 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N2C[C@H](CC)N(C(C)=O)C[C@@H]2CC)CC1 ZINC000472998335 561039783 /nfs/dbraw/zinc/03/97/83/561039783.db2.gz GBKBEODNHHTKFM-OALUTQOASA-N 1 0 364.534 2.458 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N2C[C@H](CC)N(C(C)=O)C[C@H]2CC)CC1 ZINC000472998338 561039830 /nfs/dbraw/zinc/03/98/30/561039830.db2.gz GBKBEODNHHTKFM-RBUKOAKNSA-N 1 0 364.534 2.458 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H](C)C(=O)N2Cc3ccccc3C2)CC1 ZINC000474328483 561071367 /nfs/dbraw/zinc/07/13/67/561071367.db2.gz JKDLAEOFNJQFGG-MRXNPFEDSA-N 1 0 370.497 2.257 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@@H](O)Cc1ccccc1 ZINC000474904584 561085190 /nfs/dbraw/zinc/08/51/90/561085190.db2.gz CRBJOIQCLJKINZ-FQEVSTJZSA-N 1 0 351.450 2.052 20 30 FEEDRO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)c2cnn(C)c2C#N)C1 ZINC000474912877 561085289 /nfs/dbraw/zinc/08/52/89/561085289.db2.gz SGWHBSSFLDAOMR-HNNXBMFYSA-N 1 0 351.454 2.454 20 30 FEEDRO C[C@@H]1C[C@@H](CCNC(=O)c2cnn(C)c2C#N)C[N@@H+]1Cc1ccccc1 ZINC000476453277 561119852 /nfs/dbraw/zinc/11/98/52/561119852.db2.gz CEPXFGKTQILTCK-NVXWUHKLSA-N 1 0 351.454 2.322 20 30 FEEDRO C[C@H]1C[C@@H](CCNC(=O)c2cnn(C)c2C#N)C[N@@H+]1Cc1ccccc1 ZINC000476453276 561119897 /nfs/dbraw/zinc/11/98/97/561119897.db2.gz CEPXFGKTQILTCK-DOTOQJQBSA-N 1 0 351.454 2.322 20 30 FEEDRO CC(C)[C@H]1C[NH2+]CCN1S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000528048605 562312418 /nfs/dbraw/zinc/31/24/18/562312418.db2.gz KSGWLSNZUKLMTC-CQSZACIVSA-N 1 0 361.389 2.196 20 30 FEEDRO N#CC1(C[C@H](O)C[NH+]2CCC(C(=O)NCCc3cccs3)CC2)CC1 ZINC000528408135 562327424 /nfs/dbraw/zinc/32/74/24/562327424.db2.gz JTWJHQMKKBEVPQ-INIZCTEOSA-N 1 0 361.511 2.174 20 30 FEEDRO CC(C)n1cnnc1[C@@H]1CCC[N@H+](C[C@H](O)COc2ccccc2C#N)C1 ZINC000528422933 562328566 /nfs/dbraw/zinc/32/85/66/562328566.db2.gz GRJLHPQQOPLICB-MSOLQXFVSA-N 1 0 369.469 2.350 20 30 FEEDRO CC1(C)C[N@@H+](C2(CNC(=O)Cc3ccc(C#N)nc3)CCCCC2)CCO1 ZINC000528497961 562332408 /nfs/dbraw/zinc/33/24/08/562332408.db2.gz SEBAGNISYMSAED-UHFFFAOYSA-N 1 0 370.497 2.426 20 30 FEEDRO O=C1c2ccccc2C(=O)N1CC#CC[N@@H+]1CCC[C@H]1[C@H]1CCCOC1 ZINC000528534671 562334713 /nfs/dbraw/zinc/33/47/13/562334713.db2.gz CZMUMGVZXVZRNJ-LPHOPBHVSA-N 1 0 352.434 2.177 20 30 FEEDRO N#Cc1ccccc1OC[C@H](O)C[N@H+]1CC[C@](CO)(c2cccc(F)c2)C1 ZINC000528546026 562335233 /nfs/dbraw/zinc/33/52/33/562335233.db2.gz REMJBQNHCBMTGY-CTNGQTDRSA-N 1 0 370.424 2.073 20 30 FEEDRO CC(C)[C@@H]1CN(CC(=O)NC2(C#N)CCC2)CC[N@@H+]1Cc1ccccc1 ZINC000528639196 562339483 /nfs/dbraw/zinc/33/94/83/562339483.db2.gz KUDYSZDBYYNQAK-IBGZPJMESA-N 1 0 354.498 2.391 20 30 FEEDRO COCc1ccc(NC(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1C#N ZINC000529204350 562364477 /nfs/dbraw/zinc/36/44/77/562364477.db2.gz AEQRFNWHZLMJKB-INIZCTEOSA-N 1 0 372.469 2.281 20 30 FEEDRO N#Cc1ccccc1OC[C@H](O)C[NH2+][C@@H]1CCN(c2ncccc2Cl)C1 ZINC000530230929 562403030 /nfs/dbraw/zinc/40/30/30/562403030.db2.gz DSAFUTNPMIGZGX-HZPDHXFCSA-N 1 0 372.856 2.215 20 30 FEEDRO CC(C)n1ncc2c1C[C@H]([NH2+]C[C@H](O)COc1ccccc1C#N)CC2 ZINC000530232742 562403251 /nfs/dbraw/zinc/40/32/51/562403251.db2.gz AXBVBHXHEGUMQB-MSOLQXFVSA-N 1 0 354.454 2.222 20 30 FEEDRO N#Cc1ccccc1OC[C@@H](O)C[NH2+][C@H]1CCN(c2ccc(F)cc2)C1 ZINC000530233031 562403254 /nfs/dbraw/zinc/40/32/54/562403254.db2.gz OBGHMTSLQAWAMZ-HKUYNNGSSA-N 1 0 355.413 2.306 20 30 FEEDRO Cc1nc(C#N)c(N2CCC(C(=O)NCC[NH+]3[C@H](C)CCC[C@H]3C)CC2)o1 ZINC000530283412 562405423 /nfs/dbraw/zinc/40/54/23/562405423.db2.gz RJLWAMOSNQHUPL-HUUCEWRRSA-N 1 0 373.501 2.450 20 30 FEEDRO COc1cc(CNC(=O)Cc2cccc(C#N)c2)ccc1OCC[NH+](C)C ZINC000530673874 562420169 /nfs/dbraw/zinc/42/01/69/562420169.db2.gz BGELSBPWHRSBBU-UHFFFAOYSA-N 1 0 367.449 2.366 20 30 FEEDRO N#Cc1cccc(C2(C(=O)NC3CC[NH+](C[C@H]4CCOC4)CC3)CC2)c1 ZINC000532521199 562480254 /nfs/dbraw/zinc/48/02/54/562480254.db2.gz LQEVSDRQNIUVPQ-QGZVFWFLSA-N 1 0 353.466 2.207 20 30 FEEDRO COC(=O)c1cccc(CN2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c1C#N ZINC000533762843 562517686 /nfs/dbraw/zinc/51/76/86/562517686.db2.gz ZWXIWCAJDSAGPG-ATZDWAIDSA-N 1 0 357.454 2.028 20 30 FEEDRO C=C(C)[C@H](CC(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1)OCC ZINC000534427236 562534035 /nfs/dbraw/zinc/53/40/35/562534035.db2.gz FORHSXIUQAZYBO-UXHICEINSA-N 1 0 359.514 2.463 20 30 FEEDRO CS[C@@H]1CN(CC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@@H]1[NH+](C)C ZINC000534951980 562546015 /nfs/dbraw/zinc/54/60/15/562546015.db2.gz PPOMYQQNWRFEAN-LSDHHAIUSA-N 1 0 352.891 2.128 20 30 FEEDRO CC[N@H+](CCc1cccs1)CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1 ZINC000537039473 562584564 /nfs/dbraw/zinc/58/45/64/562584564.db2.gz WLFDZRXYRTUCKC-SFHVURJKSA-N 1 0 362.543 2.305 20 30 FEEDRO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(-n2ccnn2)cc1 ZINC000537127563 562586148 /nfs/dbraw/zinc/58/61/48/562586148.db2.gz VSSYOZIMFUDORX-VCBZYWHSSA-N 1 0 354.458 2.361 20 30 FEEDRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)c2ccc(Cl)c(C#N)c2)CC1 ZINC000540884792 562595701 /nfs/dbraw/zinc/59/57/01/562595701.db2.gz XXPURYCKAOSHPR-QGZVFWFLSA-N 1 0 360.889 2.454 20 30 FEEDRO C[C@@H]1CCCN(C(=O)C2CCN(C(=O)C[NH+]3CCC(CC#N)CC3)CC2)C1 ZINC000541024874 562600744 /nfs/dbraw/zinc/60/07/44/562600744.db2.gz RSFWJLQXGLVDMW-QGZVFWFLSA-N 1 0 374.529 2.109 20 30 FEEDRO C[C@H]1CCCN(C(=O)C2CCN(C(=O)C[NH+]3CCC(CC#N)CC3)CC2)C1 ZINC000541024873 562600787 /nfs/dbraw/zinc/60/07/87/562600787.db2.gz RSFWJLQXGLVDMW-KRWDZBQOSA-N 1 0 374.529 2.109 20 30 FEEDRO C[NH+]1CCC(N(C[C@@H](O)CC(C)(C)C)S(=O)(=O)CCCCC#N)CC1 ZINC000555945954 674382710 /nfs/dbraw/zinc/38/27/10/674382710.db2.gz PYNFCTZBWMGKNN-KRWDZBQOSA-N 1 0 373.563 2.203 20 30 FEEDRO COc1nc(N2CC[NH+](C[C@@H](C)CCC#N)CC2)ncc1Br ZINC000602462676 567982956 /nfs/dbraw/zinc/98/29/56/567982956.db2.gz OSRWCWVOGXMDMU-LBPRGKRZSA-N 1 0 368.279 2.310 20 30 FEEDRO COc1ccc(S(=O)(=O)N2CCC[N@H+](C[C@@H](C)CCC#N)CC2)cc1 ZINC000602484829 567985262 /nfs/dbraw/zinc/98/52/62/567985262.db2.gz IWJQRBBUDJVXAW-INIZCTEOSA-N 1 0 365.499 2.331 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](C(C)C)[C@H](O)C(F)(F)F)CC1 ZINC000636743203 568001226 /nfs/dbraw/zinc/00/12/26/568001226.db2.gz YPSNEIGIPDVNCF-KBPBESRZSA-N 1 0 351.413 2.274 20 30 FEEDRO C[C@@H]1CN(C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C[C@@H](C)N1CC#N ZINC000602852596 568001652 /nfs/dbraw/zinc/00/16/52/568001652.db2.gz DCDZXKHTAJWQQI-SFHLNBCPSA-N 1 0 356.514 2.196 20 30 FEEDRO C[C@@H]1C[NH+](C[C@H](O)COc2ccccc2C(F)(F)F)C[C@@H](C)N1CC#N ZINC000602856035 568002405 /nfs/dbraw/zinc/00/24/05/568002405.db2.gz YCPUHPBNCZRCGQ-KFWWJZLASA-N 1 0 371.403 2.363 20 30 FEEDRO C[C@@H]1C[NH+](C[C@@H](O)COc2cccc3ccccc32)C[C@@H](C)N1CC#N ZINC000602857362 568002767 /nfs/dbraw/zinc/00/27/67/568002767.db2.gz RASXMRUVFZKMCE-ZHALLVOQSA-N 1 0 353.466 2.498 20 30 FEEDRO C[C@@H]1C[NH+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@@H](C)N1CC#N ZINC000602864391 568007856 /nfs/dbraw/zinc/00/78/56/568007856.db2.gz QKKRCWGSQBXRFQ-ZIAGYGMSSA-N 1 0 359.861 2.458 20 30 FEEDRO CC[N@H+](CC(=O)NC1(C#N)CCCCC1)[C@@H]1CCN(CC(F)(F)F)C1 ZINC000602893148 568009242 /nfs/dbraw/zinc/00/92/42/568009242.db2.gz TXTMKMPUURNQBG-CQSZACIVSA-N 1 0 360.424 2.288 20 30 FEEDRO COC[C@](C)(CO)[NH2+]CC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000602932477 568019916 /nfs/dbraw/zinc/01/99/16/568019916.db2.gz OOJTVAHSCWJFTP-DYVFJYSZSA-N 1 0 351.472 2.006 20 30 FEEDRO Cc1ncc(CNC(=O)CC[NH+]2CCC(C#N)(c3ccccn3)CC2)s1 ZINC000602825821 568046397 /nfs/dbraw/zinc/04/63/97/568046397.db2.gz UDPOXXYJXPENRK-UHFFFAOYSA-N 1 0 369.494 2.410 20 30 FEEDRO C[C@H](C(=O)N(CCC#N)c1ccccc1)N1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602860873 568049475 /nfs/dbraw/zinc/04/94/75/568049475.db2.gz JQIUSWYBZWLIAD-FGTMMUONSA-N 1 0 353.470 2.240 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1ccc(-n2cnnn2)c(C)c1)C(C)C ZINC000603287919 568083087 /nfs/dbraw/zinc/08/30/87/568083087.db2.gz WZVJDIVWMMKHMW-LJQANCHMSA-N 1 0 368.485 2.399 20 30 FEEDRO C[NH+]1CCC(C#N)(NC(=O)c2cccc(NC(=O)c3cccnc3)c2)CC1 ZINC000603885934 568177045 /nfs/dbraw/zinc/17/70/45/568177045.db2.gz CJBXINFTXATCLB-UHFFFAOYSA-N 1 0 363.421 2.052 20 30 FEEDRO Cn1ccnc1SCc1cccc(C(=O)NC2(C#N)CC[NH+](C)CC2)c1 ZINC000604536825 568308944 /nfs/dbraw/zinc/30/89/44/568308944.db2.gz OILASFHOILBXIY-UHFFFAOYSA-N 1 0 369.494 2.430 20 30 FEEDRO C[NH+]1CCN(c2cccc(C(=O)NC3(c4cccc(C#N)c4)CC3)n2)CC1 ZINC000569325568 568383621 /nfs/dbraw/zinc/38/36/21/568383621.db2.gz RBDKECBDODXURC-UHFFFAOYSA-N 1 0 361.449 2.124 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+]C[C@H](c2ccco2)N2CCCC2)cc1 ZINC000569660086 568416456 /nfs/dbraw/zinc/41/64/56/568416456.db2.gz FAZNZVWCUKXAAD-GOSISDBHSA-N 1 0 373.478 2.352 20 30 FEEDRO N#Cc1cc(Br)cn(Cc2nccn2CC(F)(F)F)c1=O ZINC000570130469 568453094 /nfs/dbraw/zinc/45/30/94/568453094.db2.gz QWJZOUJFYCFUSG-UHFFFAOYSA-N 1 0 361.121 2.290 20 30 FEEDRO C=CC1CC[NH+](Cn2c(C)nnc2-c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000735409343 598852120 /nfs/dbraw/zinc/85/21/20/598852120.db2.gz CRWNAGYAQCABGX-UHFFFAOYSA-N 1 0 350.430 2.289 20 30 FEEDRO COC(=O)c1cccc(CN2CC[C@H](C(F)(F)F)[C@@H](CO)C2)c1C#N ZINC000556829116 674423158 /nfs/dbraw/zinc/42/31/58/674423158.db2.gz XFXGNGCEIXEXRX-DOMZBBRYSA-N 1 0 356.344 2.338 20 30 FEEDRO C=C(Br)C[N@@H+](C)[C@@H](C)C1CCN(S(=O)(=O)CC)CC1 ZINC000808775757 674471841 /nfs/dbraw/zinc/47/18/41/674471841.db2.gz JNZIYRWJFXAACX-LBPRGKRZSA-N 1 0 353.326 2.277 20 30 FEEDRO O=C(NC[C@@H]1CCC[N@@H+](CCOCC(F)(F)C(F)F)C1)C(F)(F)F ZINC000810068168 674529070 /nfs/dbraw/zinc/52/90/70/674529070.db2.gz JOTNWFAYKKIGCB-VIFPVBQESA-N 1 0 368.293 2.294 20 30 FEEDRO CC(C)(C#N)CCC[NH+]1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000819892017 606110802 /nfs/dbraw/zinc/11/08/02/606110802.db2.gz QKZGCSWTHFRRGA-UHFFFAOYSA-N 1 0 353.474 2.314 20 30 FEEDRO CC(C)[C@@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)C1(CO)CCC1 ZINC000559439585 674542988 /nfs/dbraw/zinc/54/29/88/674542988.db2.gz YCBWTAZTCNMRNQ-QGZVFWFLSA-N 1 0 350.484 2.109 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H](c2cccs2)C2CC2)CC1 ZINC000559482819 674545141 /nfs/dbraw/zinc/54/51/41/674545141.db2.gz QZPIRXVEUZUKMO-KRWDZBQOSA-N 1 0 361.511 2.472 20 30 FEEDRO CN(C1CC[NH+](C)CC1)S(=O)(=O)c1cc(Br)ccc1C#N ZINC000559640722 674551690 /nfs/dbraw/zinc/55/16/90/674551690.db2.gz ZBXNBZOJUOTFCG-UHFFFAOYSA-N 1 0 372.288 2.035 20 30 FEEDRO C[C@H]([NH2+]CCC(=O)Nc1ccc(-c2nn[nH]n2)cc1)c1ccc(C#N)cc1 ZINC000824585097 608464203 /nfs/dbraw/zinc/46/42/03/608464203.db2.gz NLQGMNFQMTXNMP-ZDUSSCGKSA-N 1 0 361.409 2.418 20 30 FEEDRO Cc1ccc(-c2nn[nH]n2)nc1N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000826280868 608542638 /nfs/dbraw/zinc/54/26/38/608542638.db2.gz UGFJRQGOUOBHBX-UHFFFAOYSA-N 1 0 374.452 2.154 20 30 FEEDRO N#CCC1CC[NH+](CCC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)CC1 ZINC000826380549 609429121 /nfs/dbraw/zinc/42/91/21/609429121.db2.gz DSYHTROUYVGYBC-UHFFFAOYSA-N 1 0 373.848 2.474 20 30 FEEDRO C#CC[N@H+](C)CCCNS(=O)(=O)c1ccc(-c2csc(C)n2)s1 ZINC000815082370 674913965 /nfs/dbraw/zinc/91/39/65/674913965.db2.gz NMQTTXQQOSUKBC-UHFFFAOYSA-N 1 0 369.537 2.413 20 30 FEEDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1S(=O)(=O)Cc1ccc(C#N)cc1F ZINC000563720194 674932901 /nfs/dbraw/zinc/93/29/01/674932901.db2.gz ACVPSAQDYBGMCS-SUMWQHHRSA-N 1 0 351.447 2.086 20 30 FEEDRO CC(C)[C@H]1C[C@@H](C[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)CCO1 ZINC000564076940 674970644 /nfs/dbraw/zinc/97/06/44/674970644.db2.gz UGAARLLSSHJZMC-FUHWJXTLSA-N 1 0 350.484 2.373 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)C(=O)N1CC(C)(C)c2c1cccc2Cl ZINC000815860395 674978855 /nfs/dbraw/zinc/97/88/55/674978855.db2.gz JHYFYWDJBIMVOI-UHFFFAOYSA-N 1 0 361.873 2.036 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cccc(-c2cccs2)c1 ZINC000815861716 674979020 /nfs/dbraw/zinc/97/90/20/674979020.db2.gz WFHZJVXTHDSPMB-UHFFFAOYSA-N 1 0 355.463 2.425 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+]CCOc2ccc(Cl)cc2)nc1 ZINC000564202931 674983513 /nfs/dbraw/zinc/98/35/13/674983513.db2.gz FWEHZYHSJNJZSL-UHFFFAOYSA-N 1 0 365.842 2.049 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3cccc(Cl)n3)C[C@@H]2C1 ZINC001049069981 675022453 /nfs/dbraw/zinc/02/24/53/675022453.db2.gz ZWHHUFNRRCWFEA-WTTBNOFXSA-N 1 0 361.873 2.216 20 30 FEEDRO C[NH+]1CCN(c2ccc(NS(=O)(=O)c3cccc(C#N)c3)cc2)CC1 ZINC000007109222 669963976 /nfs/dbraw/zinc/96/39/76/669963976.db2.gz SRPKSLVRJBCTDM-UHFFFAOYSA-N 1 0 356.451 2.111 20 30 FEEDRO CCN(CC)c1ccc(/C=[NH+]\CCCN(CC)S(C)(=O)=O)c(O)c1 ZINC000054894186 670342798 /nfs/dbraw/zinc/34/27/98/670342798.db2.gz IEZLBZSXFRKQMT-JXAWBTAJSA-N 1 0 355.504 2.329 20 30 FEEDRO CC1=C[C@@H](C)C[N@H+](CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)C1 ZINC000569181735 670520679 /nfs/dbraw/zinc/52/06/79/670520679.db2.gz WOTZSAQJKMCJFI-NVXWUHKLSA-N 1 0 358.511 2.355 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1NC(=O)NCC1([NH+]2CCC(OC)CC2)CCCC1 ZINC000569199723 670524003 /nfs/dbraw/zinc/52/40/03/670524003.db2.gz SQXQBYKUWMMQKO-SJORKVTESA-N 1 0 351.491 2.053 20 30 FEEDRO CC[C@@H](COCC(F)(F)F)[NH2+]CCS(=O)(=O)c1cccc(C#N)c1 ZINC000571671845 670909402 /nfs/dbraw/zinc/90/94/02/670909402.db2.gz PUVPKUDXIVGMNW-ZDUSSCGKSA-N 1 0 364.389 2.279 20 30 FEEDRO CN(CCC#N)C[C@H](O)CNc1ccc2c(c1)N(CC(F)F)CCS2 ZINC000565888049 675158351 /nfs/dbraw/zinc/15/83/51/675158351.db2.gz IJVRQIXTZBJIJF-CQSZACIVSA-N 1 0 370.469 2.482 20 30 FEEDRO CC(C)[NH+](CCCNCCS(=O)(=O)c1ccc(C#N)cc1)C(C)C ZINC000574684650 671267939 /nfs/dbraw/zinc/26/79/39/671267939.db2.gz QEJAWKPDFPHKRL-UHFFFAOYSA-N 1 0 351.516 2.430 20 30 FEEDRO CC(C)([NH2+]C[C@H]1CNc2c(C#N)cnn2C1)c1cc(C(F)(F)F)on1 ZINC000575401957 671312174 /nfs/dbraw/zinc/31/21/74/671312174.db2.gz VLJBYJBFIHCYPE-SECBINFHSA-N 1 0 354.336 2.328 20 30 FEEDRO N#CCc1ccc(S(=O)(=O)N2CC[C@@H]([NH+]3CCCC3)C2)c(Cl)c1 ZINC000576701374 671388112 /nfs/dbraw/zinc/38/81/12/671388112.db2.gz CBLHFLARSMYDKF-CQSZACIVSA-N 1 0 353.875 2.265 20 30 FEEDRO N#Cc1ccc(N2CCN(C(=O)NCC3CC[NH2+]CC3)CC2)c(Cl)c1 ZINC000577368394 671591133 /nfs/dbraw/zinc/59/11/33/671591133.db2.gz ZZSVDURKFISZPQ-UHFFFAOYSA-N 1 0 361.877 2.043 20 30 FEEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000609403377 675921426 /nfs/dbraw/zinc/92/14/26/675921426.db2.gz QVGOIDAMISIKAR-KGLIPLIRSA-N 1 0 360.483 2.087 20 30 FEEDRO CN(CCC#N)C[C@@H](O)C[NH2+][C@H]1CCCN(c2ccccc2Cl)C1 ZINC000578499343 671669917 /nfs/dbraw/zinc/66/99/17/671669917.db2.gz JIJRPTXXOKRTQT-HOTGVXAUSA-N 1 0 350.894 2.105 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+]CCC[C@@H]2CCCC[C@@H]2O)cc1 ZINC000579108414 671712568 /nfs/dbraw/zinc/71/25/68/671712568.db2.gz BYMAUIFOSDLBJY-WMZOPIPTSA-N 1 0 350.484 2.253 20 30 FEEDRO CC[NH+](CC)C[C@H]1CCCC[C@H]1NS(=O)(=O)c1cncc(C#N)c1 ZINC000582031440 671960149 /nfs/dbraw/zinc/96/01/49/671960149.db2.gz JMHZEFQYRWXOTJ-NVXWUHKLSA-N 1 0 350.488 2.132 20 30 FEEDRO C#CCOCCC(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000123982035 671988693 /nfs/dbraw/zinc/98/86/93/671988693.db2.gz HLKGVOZBJOMIQI-UHFFFAOYSA-N 1 0 367.287 2.379 20 30 FEEDRO N#Cc1ncc(NC(=O)N2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)cc1Cl ZINC000582833557 672038025 /nfs/dbraw/zinc/03/80/25/672038025.db2.gz HBWHBPJCVDVIGY-HOCLYGCPSA-N 1 0 363.849 2.357 20 30 FEEDRO COC(=O)[C@@H]1CN(c2cc(Br)c(C#N)cc2F)CC[N@H+](C)C1 ZINC000583153784 672068471 /nfs/dbraw/zinc/06/84/71/672068471.db2.gz SEUXFMWVJUBQRT-NSHDSACASA-N 1 0 370.222 2.001 20 30 FEEDRO CC(C)CNS(=O)(=O)c1ccc(CNC(=[NH2+])N2CCC[C@H](C)C2)cc1 ZINC000134240170 672121209 /nfs/dbraw/zinc/12/12/09/672121209.db2.gz DLJNYZUEDCLWRA-HNNXBMFYSA-N 1 0 366.531 2.168 20 30 FEEDRO O=C(NCC[NH2+]Cc1ccc(F)cc1Br)C1N=CC=CC1=O ZINC000136138989 672137369 /nfs/dbraw/zinc/13/73/69/672137369.db2.gz FTEJOJRSYIUILB-CCEZHUSRSA-N 1 0 368.206 2.204 20 30 FEEDRO Cc1c2cc(C#N)ccc2sc1C(=O)NC[C@H](C)N1CC[NH+](C)CC1 ZINC000583948970 672141735 /nfs/dbraw/zinc/14/17/35/672141735.db2.gz GURPAJAAFMEEDR-ZDUSSCGKSA-N 1 0 356.495 2.447 20 30 FEEDRO C=CCc1ccccc1OC[C@H](O)C[NH2+][C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000584108819 672156734 /nfs/dbraw/zinc/15/67/34/672156734.db2.gz VJVRKHAILXNWOL-KURKYZTESA-N 1 0 367.511 2.100 20 30 FEEDRO CCc1ccc(NC(=[NH2+])NCCNS(=O)(=O)c2ccc(C)s2)cc1 ZINC000151421274 672162787 /nfs/dbraw/zinc/16/27/87/672162787.db2.gz CKRSCODBWAFOJU-UHFFFAOYSA-N 1 0 366.512 2.324 20 30 FEEDRO CC[NH+]=C(NCCN1CCc2sccc2C1)N1CC[C@]2(CCOC2)C1 ZINC000158086496 672265886 /nfs/dbraw/zinc/26/58/86/672265886.db2.gz HUJDJSULTVLUHD-IBGZPJMESA-N 1 0 362.543 2.184 20 30 FEEDRO C[NH+]=C(NCCc1c(C)cc(C)cc1C)N1CCS(=O)(=O)C(C)(C)C1 ZINC000158611967 672271202 /nfs/dbraw/zinc/27/12/02/672271202.db2.gz ILLREBDEPFMBLI-UHFFFAOYSA-N 1 0 365.543 2.239 20 30 FEEDRO CCc1ccc(NC(=[NH2+])NCCNS(=O)(=O)c2cccs2)cc1 ZINC000160480697 672291381 /nfs/dbraw/zinc/29/13/81/672291381.db2.gz IBVJGFCGZCEQEZ-UHFFFAOYSA-N 1 0 352.485 2.016 20 30 FEEDRO C#CCOc1ccc(Br)cc1C[NH2+][C@H]1CC(=O)N(C2CC2)C1 ZINC000174931117 672364341 /nfs/dbraw/zinc/36/43/41/672364341.db2.gz JEPSJTUKZDLZSM-AWEZNQCLSA-N 1 0 363.255 2.314 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)NC(C)(C)CNC(=O)OC(C)(C)C)CC1 ZINC000178383759 672391248 /nfs/dbraw/zinc/39/12/48/672391248.db2.gz UVJKYMPCXDJITO-UHFFFAOYSA-N 1 0 354.495 2.239 20 30 FEEDRO N#Cc1ccc(N2CCN(C(=O)N[C@@H]3CCC[NH2+]CC3)CC2)c(Cl)c1 ZINC000591360630 672676114 /nfs/dbraw/zinc/67/61/14/672676114.db2.gz QARZFYGDEZGOGD-OAHLLOKOSA-N 1 0 361.877 2.185 20 30 FEEDRO C[C@@H]1CC2(CN1S(=O)(=O)c1ccc(C#N)cc1Cl)CC[NH2+]CC2 ZINC000591667408 672699144 /nfs/dbraw/zinc/69/91/44/672699144.db2.gz PFGBWANGELASNX-GFCCVEGCSA-N 1 0 353.875 2.364 20 30 FEEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+]C[C@H]2OCCc3ccccc32)c1 ZINC000591739518 672706548 /nfs/dbraw/zinc/70/65/48/672706548.db2.gz ASDKWBGPOIKTTJ-LJQANCHMSA-N 1 0 356.447 2.236 20 30 FEEDRO CC(C)[C@H]1OCCC[C@@H]1C[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000591749260 672707434 /nfs/dbraw/zinc/70/74/34/672707434.db2.gz KODVMMIDLPDYIN-SJLPKXTDSA-N 1 0 350.484 2.373 20 30 FEEDRO N#Cc1ccc(C[NH2+]C[C@@H](O)COc2ccc3c(c2)OCO3)cc1Cl ZINC000591765948 672709450 /nfs/dbraw/zinc/70/94/50/672709450.db2.gz VEUZWJMJTVIJTP-CQSZACIVSA-N 1 0 360.797 2.470 20 30 FEEDRO CCCCCCC[C@]1(C)NC(=O)N(NC(=O)C2CC[NH+](C)CC2)C1=O ZINC000194361760 672757919 /nfs/dbraw/zinc/75/79/19/672757919.db2.gz SFOOZAGDVSOZCN-SFHVURJKSA-N 1 0 352.479 2.030 20 30 FEEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)NCc3nccs3)CC2)cc1 ZINC000194536325 672762143 /nfs/dbraw/zinc/76/21/43/672762143.db2.gz ZTYOMMIIXJUPLC-UHFFFAOYSA-N 1 0 355.467 2.432 20 30 FEEDRO CC[C@@H](C)NC(=[NH2+])NCc1ccccc1S(=O)(=O)N1CCCCC1 ZINC000194685899 672765847 /nfs/dbraw/zinc/76/58/47/672765847.db2.gz INSRSNNYKKWQSZ-CQSZACIVSA-N 1 0 352.504 2.064 20 30 FEEDRO C[NH+]=C(NCCNc1nc2ccccc2s1)N1CC[C@@]2(CCOC2)C1 ZINC000261994699 672906849 /nfs/dbraw/zinc/90/68/49/672906849.db2.gz SCTWMOZAYVNQEQ-GOSISDBHSA-N 1 0 359.499 2.396 20 30 FEEDRO C[NH+]=C(NCc1nc(C)c(C)s1)N1CC(=O)N(C(C)C)C(C)(C)C1 ZINC000262026793 672907978 /nfs/dbraw/zinc/90/79/78/672907978.db2.gz WTIVVAHHXOQOQS-UHFFFAOYSA-N 1 0 351.520 2.167 20 30 FEEDRO CC[NH+]=C(NC[C@@H](C)c1ccc(F)cc1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000262027141 672908508 /nfs/dbraw/zinc/90/85/08/672908508.db2.gz ZZLUJJOFBBESEG-CQSZACIVSA-N 1 0 369.506 2.404 20 30 FEEDRO CCC[C@]1(C)CCCN(C(NC[C@H]2CCS(=O)(=O)C2)=[NH+]C2CC2)C1 ZINC000262339496 672913550 /nfs/dbraw/zinc/91/35/50/672913550.db2.gz CIXWKNQPMVRALV-CRAIPNDOSA-N 1 0 355.548 2.431 20 30 FEEDRO [NH2+]=C(NC[C@@H]1CCCS(=O)(=O)C1)Nc1cccc(OC(F)(F)F)c1 ZINC000262342075 672913767 /nfs/dbraw/zinc/91/37/67/672913767.db2.gz YRKUEPIPZNDZGH-JTQLQIEISA-N 1 0 365.377 2.137 20 30 FEEDRO CC(C)[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)NC[C@H]1CCc2ccccc21 ZINC000262405644 672915205 /nfs/dbraw/zinc/91/52/05/672915205.db2.gz OKZHMDCWUDIEEN-DOTOQJQBSA-N 1 0 363.527 2.095 20 30 FEEDRO C[C@@H]1CN(C(=[NH2+])NCc2cc3cc(Br)ccc3[nH]2)CCO1 ZINC000262437961 672916007 /nfs/dbraw/zinc/91/60/07/672916007.db2.gz GWBDBCMEHKLLRC-SNVBAGLBSA-N 1 0 351.248 2.466 20 30 FEEDRO CC[N@@H+]1CC[C@H](CNC(=O)Cc2ccc(Br)cc2C#N)C1 ZINC000593416085 672920598 /nfs/dbraw/zinc/92/05/98/672920598.db2.gz VUCCTVCMPSABPU-GFCCVEGCSA-N 1 0 350.260 2.321 20 30 FEEDRO CC[NH+]=C(NCCNC(=O)C(C)(C)C)N1CCC[C@@]2(CCCOC2)C1 ZINC000262813836 672921451 /nfs/dbraw/zinc/92/14/51/672921451.db2.gz VYMAVXVHPLWOHF-LJQANCHMSA-N 1 0 352.523 2.007 20 30 FEEDRO [NH2+]=C(NCc1nnc(C2CC2)s1)N1CCN(c2ccc(F)cc2)CC1 ZINC000263056197 672926674 /nfs/dbraw/zinc/92/66/74/672926674.db2.gz DZVKINDUGPBVBD-UHFFFAOYSA-N 1 0 360.462 2.192 20 30 FEEDRO [NH2+]=C(NC[C@]1(Cc2ccc(F)cc2)CCC[C@@H]1O)N1CCSCC1 ZINC000263255665 672930474 /nfs/dbraw/zinc/93/04/74/672930474.db2.gz KUVSMSGYCUWQMT-FUHWJXTLSA-N 1 0 351.491 2.263 20 30 FEEDRO [NH2+]=C(NCCCOCC(F)(F)F)N1CCN(c2ccc(F)cc2)CC1 ZINC000303873673 673018140 /nfs/dbraw/zinc/01/81/40/673018140.db2.gz CRCZXBJVTCRWKV-UHFFFAOYSA-N 1 0 362.371 2.231 20 30 FEEDRO CC(C)CCNC(=[NH2+])NCc1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000303980255 673019720 /nfs/dbraw/zinc/01/97/20/673019720.db2.gz NZBFJPRWYXBEHU-UHFFFAOYSA-N 1 0 366.531 2.312 20 30 FEEDRO C=C(C)CNC(=[NH2+])NCCCNC(=O)c1cccc(Br)c1 ZINC000303983964 673019769 /nfs/dbraw/zinc/01/97/69/673019769.db2.gz RSFSGGNBZVKUSZ-UHFFFAOYSA-N 1 0 353.264 2.049 20 30 FEEDRO CC(C)c1cccc(NC(=[NH2+])NCCS(=O)(=O)NCC2CCC2)c1 ZINC000304765087 673020744 /nfs/dbraw/zinc/02/07/44/673020744.db2.gz YUYSOLIDDGBSPT-UHFFFAOYSA-N 1 0 352.504 2.256 20 30 FEEDRO CCc1cnc(CNC(=[NH2+])N2CCN(C(=O)OC(C)(C)C)CC2)s1 ZINC000304802694 673020922 /nfs/dbraw/zinc/02/09/22/673020922.db2.gz PSTABIXAYOTAAV-UHFFFAOYSA-N 1 0 353.492 2.073 20 30 FEEDRO Cc1ccc(S(=O)(=O)NCCNC(=[NH2+])N[C@H](C)CCCC(C)C)s1 ZINC000305211431 673021508 /nfs/dbraw/zinc/02/15/08/673021508.db2.gz POZCARSYMSYSLQ-CYBMUJFWSA-N 1 0 374.576 2.454 20 30 FEEDRO O=C(CNC(=O)C1CCCCC1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000328783999 673066793 /nfs/dbraw/zinc/06/67/93/673066793.db2.gz GQMAQGRKVDAAHN-UHFFFAOYSA-N 1 0 351.491 2.094 20 30 FEEDRO CC(C)(C)[NH+]1CCC(NC(=O)NC2CCN(C(=O)C3CC3)CC2)CC1 ZINC000328876084 673068400 /nfs/dbraw/zinc/06/84/00/673068400.db2.gz SJUMDAYVPTVIQX-UHFFFAOYSA-N 1 0 350.507 2.154 20 30 FEEDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)N1CCCN(Cc2cscn2)CC1 ZINC000328898141 673069252 /nfs/dbraw/zinc/06/92/52/673069252.db2.gz XWLHDHBKIRKXDI-SJORKVTESA-N 1 0 363.531 2.192 20 30 FEEDRO CN(CC(=O)N[C@@H]1CCS(=O)(=O)c2ccccc21)[C@H]1CCSC1 ZINC000328936766 673069986 /nfs/dbraw/zinc/06/99/86/673069986.db2.gz QXAPMQLVXZVYME-GXTWGEPZSA-N 1 0 354.497 2.299 20 30 FEEDRO N#CCCCC[C@@H]([NH3+])C(=O)N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000594444683 673073045 /nfs/dbraw/zinc/07/30/45/673073045.db2.gz BKQWKZAPSKIZRT-CABCVRRESA-N 1 0 366.824 2.112 20 30 FEEDRO CC(C)C[C@H](NC(=O)[C@@H]([NH3+])CCCCC#N)C(=O)Nc1nccs1 ZINC000594447162 673073570 /nfs/dbraw/zinc/07/35/70/673073570.db2.gz UKSPXSDZZHEAIT-STQMWFEESA-N 1 0 351.476 2.024 20 30 FEEDRO O=C(NCC1CC[NH+](C2CC2)CC1)N1CC[C@@H](C(F)(F)F)[C@H](CO)C1 ZINC000329379396 673076337 /nfs/dbraw/zinc/07/63/37/673076337.db2.gz MYFAATKYFPDBDU-DZGCQCFKSA-N 1 0 363.424 2.268 20 30 FEEDRO O=C(N[C@H]1CC(=O)N(c2ccccc2Cl)C1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000329451280 673077366 /nfs/dbraw/zinc/07/73/66/673077366.db2.gz MZCMCCSTGGMWIY-KBPBESRZSA-N 1 0 362.861 2.139 20 30 FEEDRO O=C(Nc1csc(-c2ccccn2)n1)N1CC[C@@H](N2CCOCC2)C1 ZINC000329816924 673084007 /nfs/dbraw/zinc/08/40/07/673084007.db2.gz FPUAVOTTYLKUAY-CYBMUJFWSA-N 1 0 359.455 2.157 20 30 FEEDRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NCCC2CCCCC2)CC1 ZINC000330136357 673085783 /nfs/dbraw/zinc/08/57/83/673085783.db2.gz NGXNOUONCSIZJL-QGZVFWFLSA-N 1 0 350.507 2.109 20 30 FEEDRO C[C@H](CNC(=O)N1CCC(O[C@H]2CCOC2)CC1)[NH+]1CCC(C)CC1 ZINC000330166835 673086566 /nfs/dbraw/zinc/08/65/66/673086566.db2.gz VLOIIRVUDOHAMT-AEFFLSMTSA-N 1 0 353.507 2.291 20 30 FEEDRO CC(C)(C#N)c1ccc(C[NH2+][C@@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)cc1 ZINC000594500110 673094159 /nfs/dbraw/zinc/09/41/59/673094159.db2.gz KZKWRDNZVLHURW-IEBWSBKVSA-N 1 0 362.495 2.314 20 30 FEEDRO CC[C@@H](CO)[NH+]1CCN(c2cc(Br)c(C#N)cc2F)CC1 ZINC000594554362 673097297 /nfs/dbraw/zinc/09/72/97/673097297.db2.gz AUDWMCPWRFEPEH-LBPRGKRZSA-N 1 0 356.239 2.353 20 30 FEEDRO C[NH+](C)CCN1CCN(C(=S)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000726450614 673122923 /nfs/dbraw/zinc/12/29/23/673122923.db2.gz WWSQPPQRIPLZDY-UHFFFAOYSA-N 1 0 351.907 2.088 20 30 FEEDRO CSc1c(F)cccc1NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C ZINC000595005360 673185766 /nfs/dbraw/zinc/18/57/66/673185766.db2.gz XQHIVFWWXGTMAQ-UHFFFAOYSA-N 1 0 366.462 2.180 20 30 FEEDRO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000595107468 673193991 /nfs/dbraw/zinc/19/39/91/673193991.db2.gz FGTUUHRRBRSEEA-UKRRQHHQSA-N 1 0 361.492 2.454 20 30 FEEDRO N#Cc1ccccc1S(=O)(=O)N[C@H]1C[NH2+]CC[C@H]1c1cccc(F)c1 ZINC000595120188 673197179 /nfs/dbraw/zinc/19/71/79/673197179.db2.gz QLNTZBICDPLPKP-IRXDYDNUSA-N 1 0 359.426 2.121 20 30 FEEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000423023879 673201400 /nfs/dbraw/zinc/20/14/00/673201400.db2.gz KQCQLEDPJNOFQH-QGZVFWFLSA-N 1 0 367.902 2.271 20 30 FEEDRO CCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2cccc(Br)c2C#N)C1 ZINC000595353966 673231120 /nfs/dbraw/zinc/23/11/20/673231120.db2.gz KQZPGNYIAPUYFC-LLVKDONJSA-N 1 0 372.288 2.083 20 30 FEEDRO CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+]CCC(=O)Nc2sccc2C#N)C1 ZINC000595630691 673276307 /nfs/dbraw/zinc/27/63/07/673276307.db2.gz AVFOVEAMEQDUTJ-NWANDNLSSA-N 1 0 351.472 2.104 20 30 FEEDRO CC(C)([NH2+]CCOc1ccc(S(N)(=O)=O)cc1)c1cccc(C#N)c1 ZINC000595642712 673277854 /nfs/dbraw/zinc/27/78/54/673277854.db2.gz RBILIERVXBOTLZ-UHFFFAOYSA-N 1 0 359.451 2.109 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)NC[C@@H](O)c2cccc(C(F)(F)F)c2)CC1 ZINC000730839332 673293209 /nfs/dbraw/zinc/29/32/09/673293209.db2.gz LEPXQDLFYXCBRV-MRXNPFEDSA-N 1 0 354.372 2.200 20 30 FEEDRO COC(=O)c1cnc([C@H]2CCCN(C(=O)[C@@H]([NH3+])CCCCC#N)C2)s1 ZINC000595998050 673346906 /nfs/dbraw/zinc/34/69/06/673346906.db2.gz WPZIULBVQSMXNI-STQMWFEESA-N 1 0 364.471 2.047 20 30 FEEDRO CCCOc1cc(C=NNC(=S)NCCC[NH+](C)C)ccc1OC ZINC000731928870 673348289 /nfs/dbraw/zinc/34/82/89/673348289.db2.gz PXJHFYKZVFTVNK-UHFFFAOYSA-N 1 0 352.504 2.234 20 30 FEEDRO C[C@@H](c1ccccc1)[C@@H](O)C[NH2+]CCS(=O)(=O)c1cccc(C#N)c1 ZINC000596068225 673355872 /nfs/dbraw/zinc/35/58/72/673355872.db2.gz GESVQKRYPHDASX-KXBFYZLASA-N 1 0 358.463 2.086 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCSC[C@H]1CCO)C(C)C ZINC000539286958 673482175 /nfs/dbraw/zinc/48/21/75/673482175.db2.gz QGHVTGDSBHNPHA-SJORKVTESA-N 1 0 355.548 2.194 20 30 FEEDRO C[NH+](C)CCC[C@H]1CN(C(=O)CSCc2ccc(C#N)cc2)CCO1 ZINC000598540872 673580792 /nfs/dbraw/zinc/58/07/92/673580792.db2.gz RINOMQWBRIVWPO-SFHVURJKSA-N 1 0 361.511 2.361 20 30 FEEDRO Cc1ccc([C@H]([NH2+]C[C@@H](O)CC2(C#N)CC2)[C@@H](C)S(C)(=O)=O)cc1 ZINC000599398123 673669476 /nfs/dbraw/zinc/66/94/76/673669476.db2.gz AJAFNVWXOUGTQO-HYVNUMGLSA-N 1 0 350.484 2.114 20 30 FEEDRO CC[N@@H+]1CCC(=NNS(=O)(=O)c2ccc(Br)cc2)[C@@H](C)C1 ZINC000741451729 673687431 /nfs/dbraw/zinc/68/74/31/673687431.db2.gz NPRQVEOEYQGQJX-NSHDSACASA-N 1 0 374.304 2.445 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)CC1 ZINC000743491860 673761823 /nfs/dbraw/zinc/76/18/23/673761823.db2.gz NAWZHYUXMZSDPN-INIZCTEOSA-N 1 0 351.491 2.140 20 30 FEEDRO N#CC1(C[C@@H](O)C[NH2+]CCc2ccccc2OC(F)F)CCOCC1 ZINC000600733217 673795176 /nfs/dbraw/zinc/79/51/76/673795176.db2.gz HWZBWWTUVHADCP-OAHLLOKOSA-N 1 0 354.397 2.491 20 30 FEEDRO CN(C(=O)c1ccc(C#N)c(Cl)c1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000614621887 676184054 /nfs/dbraw/zinc/18/40/54/676184054.db2.gz VAMPATLWQJCUHL-KRWDZBQOSA-N 1 0 360.889 2.452 20 30 FEEDRO C[NH+]1CCC(C#N)(NC(=O)[C@@H]2[C@@H]3Cc4cc(Br)ccc4[C@@H]32)CC1 ZINC000601043133 673821567 /nfs/dbraw/zinc/82/15/67/673821567.db2.gz STTKJEISDREWCH-OWCLPIDISA-N 1 0 374.282 2.439 20 30 FEEDRO C[NH+](C)CC1(NS(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)CCC1 ZINC000546904618 673826976 /nfs/dbraw/zinc/82/69/76/673826976.db2.gz ATUXFWPRPUKZAK-UHFFFAOYSA-N 1 0 361.389 2.340 20 30 FEEDRO CC[N@@H+]1CCC[C@@H]1CNC(=S)NNc1oc(CC(C)C)nc1C#N ZINC000745735781 673848844 /nfs/dbraw/zinc/84/88/44/673848844.db2.gz GNOLGXLNWYGGCR-GFCCVEGCSA-N 1 0 350.492 2.020 20 30 FEEDRO C[C@H]1[C@@H]([NH+](C)C)CCN1S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000601422574 673860159 /nfs/dbraw/zinc/86/01/59/673860159.db2.gz SWPIZEYKFQXVBI-HZMBPMFUSA-N 1 0 361.389 2.290 20 30 FEEDRO N#Cc1cccc(-c2nnc(CN3C[C@@H](CO)[C@H](C(F)(F)F)C3)o2)c1 ZINC000602987826 673914844 /nfs/dbraw/zinc/91/48/44/673914844.db2.gz SHMKLCRGMPICLR-QWHCGFSZSA-N 1 0 352.316 2.211 20 30 FEEDRO C[C@H](CNS(=O)(=O)c1cc(Br)cc(C#N)c1)[NH+]1CCCC1 ZINC000548043435 673917555 /nfs/dbraw/zinc/91/75/55/673917555.db2.gz FFIAZNQOAQZASD-LLVKDONJSA-N 1 0 372.288 2.083 20 30 FEEDRO Cc1sc(NC(=O)Cn2cc(C[C@@H]3CCC[NH2+]C3)nn2)c(C#N)c1C ZINC000603168698 673918606 /nfs/dbraw/zinc/91/86/06/673918606.db2.gz BWYGTKWGOROUQH-ZDUSSCGKSA-N 1 0 358.471 2.009 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000818606152 675228159 /nfs/dbraw/zinc/22/81/59/675228159.db2.gz FJUBYOZNADPVQB-UHFFFAOYSA-N 1 0 351.491 2.095 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+]CCC(=O)OC2CCCCC2)cc1 ZINC000819295915 675278128 /nfs/dbraw/zinc/27/81/28/675278128.db2.gz XMUYCNDUAUUYHR-UHFFFAOYSA-N 1 0 364.467 2.188 20 30 FEEDRO CC[N@@H+]1CCN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000819527296 675296499 /nfs/dbraw/zinc/29/64/99/675296499.db2.gz KSZIOBPRMKFGSP-CABCVRRESA-N 1 0 352.479 2.126 20 30 FEEDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C ZINC000819575550 675302064 /nfs/dbraw/zinc/30/20/64/675302064.db2.gz GAVCXLFHTPBKEF-HUUCEWRRSA-N 1 0 352.479 2.126 20 30 FEEDRO COC1CC[NH+](C2(CNC(=O)N3CC[C@@](F)(C#N)C3)CCCC2)CC1 ZINC000615540536 676218385 /nfs/dbraw/zinc/21/83/85/676218385.db2.gz VWFPVSOJTFQJLF-QGZVFWFLSA-N 1 0 352.454 2.057 20 30 FEEDRO C[C@H](C[NH+]1CCC(C)CC1)NS(=O)(=O)Cc1ccc(F)cc1C#N ZINC000567627990 675307860 /nfs/dbraw/zinc/30/78/60/675307860.db2.gz GSRJSIYQEUMLTJ-CQSZACIVSA-N 1 0 353.463 2.237 20 30 FEEDRO C[C@H](C[NH2+]C[C@@H](O)CN(C)CCC#N)Oc1cccc(Br)c1 ZINC000567684741 675312192 /nfs/dbraw/zinc/31/21/92/675312192.db2.gz OITRZYNIQQDJSN-UKRRQHHQSA-N 1 0 370.291 2.012 20 30 FEEDRO O=C(C#Cc1cccs1)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000823985140 675579023 /nfs/dbraw/zinc/57/90/23/675579023.db2.gz WSURCMHCBHECLH-UHFFFAOYSA-N 1 0 353.491 2.034 20 30 FEEDRO C#CCOc1ccc(Br)cc1C[NH2+]CC[C@@](C)(O)COC ZINC000824559129 675610082 /nfs/dbraw/zinc/61/00/82/675610082.db2.gz HFBGAXBPDPLUIN-MRXNPFEDSA-N 1 0 356.260 2.338 20 30 FEEDRO N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@H](OCC(F)(F)F)C2)cc1 ZINC000603840833 675801497 /nfs/dbraw/zinc/80/14/97/675801497.db2.gz ZEBCWJBVTPSMQD-HOCLYGCPSA-N 1 0 358.360 2.341 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)c2ccc(N)c(OC(F)(F)F)c2)CC1 ZINC000828477481 675822958 /nfs/dbraw/zinc/82/29/58/675822958.db2.gz BDTIWEYWIQCIHR-UHFFFAOYSA-N 1 0 355.360 2.385 20 30 FEEDRO C[C@@H]1CCC[N@@H+]1CCNC(=O)COc1cccc(Br)c1C#N ZINC000828840141 675847922 /nfs/dbraw/zinc/84/79/22/675847922.db2.gz LPKNPAJZSNMUOM-GFCCVEGCSA-N 1 0 366.259 2.300 20 30 FEEDRO C=CCC1(C(=O)NCC2CC[NH+](C3CCOCC3)CC2)CCOCC1 ZINC000617109794 676270248 /nfs/dbraw/zinc/27/02/48/676270248.db2.gz ZBLRILURFJVPPR-UHFFFAOYSA-N 1 0 350.503 2.367 20 30 FEEDRO Cc1ccc(CN(CC[NH+](C)C)S(=O)(=O)c2ccccc2CC#N)o1 ZINC000619572609 676385702 /nfs/dbraw/zinc/38/57/02/676385702.db2.gz MDTYXRJTYIAGKD-UHFFFAOYSA-N 1 0 361.467 2.407 20 30 FEEDRO C=CCOc1c(Cl)cc(C[NH2+]C[C@H]2CCS(=O)(=O)C2)cc1OC ZINC000623346990 676530360 /nfs/dbraw/zinc/53/03/60/676530360.db2.gz KLVBXQUDZIXEBM-GFCCVEGCSA-N 1 0 359.875 2.438 20 30 FEEDRO C=CC[C@@H]1N(S(=O)(=O)CCCN2CC[NH+](C)CC2)CCCC1(C)C ZINC000632281594 676985387 /nfs/dbraw/zinc/98/53/87/676985387.db2.gz CVXHXJWMTOKOGB-KRWDZBQOSA-N 1 0 357.564 2.020 20 30 FEEDRO C[NH+]1CCC(CNC(=S)N2CCO[C@@H](c3cccc(C#N)c3)C2)CC1 ZINC000760498568 680690256 /nfs/dbraw/zinc/69/02/56/680690256.db2.gz GOQTVGDMWMJCTF-GOSISDBHSA-N 1 0 358.511 2.148 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)NCc2ccc3c(c2)OC(F)(F)O3)CC1 ZINC000645232935 677255983 /nfs/dbraw/zinc/25/59/83/677255983.db2.gz ZIERWMMZTDWTLB-UHFFFAOYSA-N 1 0 353.369 2.458 20 30 FEEDRO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000646847016 677291393 /nfs/dbraw/zinc/29/13/93/677291393.db2.gz YBBMSWVPOYDXSU-NHYWBVRUSA-N 1 0 358.360 2.458 20 30 FEEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@@H](N)CC[NH+](C)C ZINC000653082887 677514666 /nfs/dbraw/zinc/51/46/66/677514666.db2.gz HWVNONKIIAYAKJ-HNNXBMFYSA-N 1 0 372.282 2.382 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000653152842 677517716 /nfs/dbraw/zinc/51/77/16/677517716.db2.gz OQKWYIJICIQDCC-MSOLQXFVSA-N 1 0 351.491 2.006 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)C2CCC(F)(F)CC2)CC1 ZINC000656311151 677740626 /nfs/dbraw/zinc/74/06/26/677740626.db2.gz JVEDQNXHOMMJBG-ZDUSSCGKSA-N 1 0 357.445 2.083 20 30 FEEDRO C=C[C@H](CO)[NH2+][C@@H]1CCCN(c2ccc(Br)c(C)c2)C1=O ZINC000662168713 678585271 /nfs/dbraw/zinc/58/52/71/678585271.db2.gz ROKQTPLLDVNKHG-IUODEOHRSA-N 1 0 353.260 2.389 20 30 FEEDRO C=CC[C@]1(C(=O)Nc2nc(CN3C[C@H](C)O[C@@H](C)C3)cs2)CCC[NH2+]1 ZINC000662671349 678649439 /nfs/dbraw/zinc/64/94/39/678649439.db2.gz NPNQPAVGXNJPCW-SUNYJGFJSA-N 1 0 364.515 2.389 20 30 FEEDRO C=CC[C@]1(C(=O)N2CCN(c3ncnc4ccsc43)CC2)CCC[NH2+]1 ZINC000662729213 678655815 /nfs/dbraw/zinc/65/58/15/678655815.db2.gz HIEPLLWWIONUDP-GOSISDBHSA-N 1 0 357.483 2.038 20 30 FEEDRO C=CC[C@]1(C(=O)N[C@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)cc2)CCC[NH2+]1 ZINC000662806067 678663520 /nfs/dbraw/zinc/66/35/20/678663520.db2.gz OHOSXUOGGSSMTC-KVSKMBFKSA-N 1 0 361.873 2.426 20 30 FEEDRO C[C@@H]1CN(Cn2nc(CC#N)n(C)c2=S)CC[N@@H+]1Cc1ccccc1 ZINC000840178979 680804981 /nfs/dbraw/zinc/80/49/81/680804981.db2.gz PMHCMMQCBKSWNG-OAHLLOKOSA-N 1 0 356.499 2.181 20 30 FEEDRO C=CCc1cc(C[N@H+]2CCSC[C@H](C(=O)OC)C2)c(O)c(OC)c1 ZINC000840185875 680805586 /nfs/dbraw/zinc/80/55/86/680805586.db2.gz IQLYBHBSYCMFSV-OAHLLOKOSA-N 1 0 351.468 2.467 20 30 FEEDRO C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1C[C@H](C)S[C@@H](C)C1 ZINC000669033958 679216181 /nfs/dbraw/zinc/21/61/81/679216181.db2.gz DSVLZFWZCYZCIH-JONQDZQNSA-N 1 0 363.531 2.330 20 30 FEEDRO C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CCS[C@H](C)[C@H]1C ZINC000669033435 679216230 /nfs/dbraw/zinc/21/62/30/679216230.db2.gz PFODKHGYHDRCMY-FPCVCCKLSA-N 1 0 363.531 2.330 20 30 FEEDRO CCOC(=O)[C@H]1[C@@H]([NH2+]CC(C)(C)CC#N)CCN1C(=O)OC(C)(C)C ZINC000840788258 680842917 /nfs/dbraw/zinc/84/29/17/680842917.db2.gz WYKNXCKHWLRXMG-UONOGXRCSA-N 1 0 353.463 2.457 20 30 FEEDRO C=C(Cl)C(C)(C)C(=O)N1CC[C@H]2CCN(C(=O)C[NH+]3CCCC3)[C@H]2C1 ZINC000975722843 680083037 /nfs/dbraw/zinc/08/30/37/680083037.db2.gz GAHFUXZZPIDZDO-HOTGVXAUSA-N 1 0 367.921 2.310 20 30 FEEDRO C=C(Cl)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[C@@H]2N2CCCC2=O)C1 ZINC001018989302 680085663 /nfs/dbraw/zinc/08/56/63/680085663.db2.gz AXVCNUKCULJCBV-XHSDSOJGSA-N 1 0 353.894 2.111 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCc2c(F)cccc2F)C1 ZINC001020604894 680111966 /nfs/dbraw/zinc/11/19/66/680111966.db2.gz STRRUVNBQNXAIU-GGKPKWOWSA-N 1 0 350.409 2.335 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3cncs3)C[C@H]21 ZINC000978830050 680181308 /nfs/dbraw/zinc/18/13/08/680181308.db2.gz KCRUUCNOXFCTRL-TXTZMMAHSA-N 1 0 361.511 2.308 20 30 FEEDRO CC(C)Oc1cc(Br)cc(C(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)c1 ZINC000834479950 680232912 /nfs/dbraw/zinc/23/29/12/680232912.db2.gz JWASUHZSAGHQTM-BXUZGUMPSA-N 1 0 352.232 2.078 20 30 FEEDRO CC[C@H](Cc1cccc(Br)c1)C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000834489773 680234210 /nfs/dbraw/zinc/23/42/10/680234210.db2.gz PIACPCPWORBVGS-VNHYZAJKSA-N 1 0 350.260 2.246 20 30 FEEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000834500880 680235787 /nfs/dbraw/zinc/23/57/87/680235787.db2.gz XPPBNPDAHZDEQZ-NHYWBVRUSA-N 1 0 360.439 2.471 20 30 FEEDRO C[C@H](Oc1ccc(Cl)cc1Br)C(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000834516734 680237173 /nfs/dbraw/zinc/23/71/73/680237173.db2.gz LLHHRJSBRALBJO-SBMIAAHKSA-N 1 0 372.650 2.098 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](CCC2CCOCC2)C1 ZINC001023599816 680265060 /nfs/dbraw/zinc/26/50/60/680265060.db2.gz VTKITSIKRMOQQM-QRVBRYPASA-N 1 0 350.503 2.222 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC2(C1)CCC[N@@H+](C[C@@H](C)OC)C2 ZINC000982060852 680265659 /nfs/dbraw/zinc/26/56/59/680265659.db2.gz GGGZKQGQOWGYRE-SQNIBIBYSA-N 1 0 350.503 2.317 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]Cc2nnc(CC)s2)C1 ZINC001024165985 680282940 /nfs/dbraw/zinc/28/29/40/680282940.db2.gz ZPOHIAAETBCPSR-KFWWJZLASA-N 1 0 364.515 2.020 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC2(CO[C@@H](C[NH2+]CC)C2)CC1 ZINC000982929058 680294099 /nfs/dbraw/zinc/29/40/99/680294099.db2.gz PPRCSMBMAOWSPE-SQNIBIBYSA-N 1 0 350.503 2.365 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)NC1CCC([NH2+]Cc2nnc(CC)s2)CC1 ZINC001026563682 680347116 /nfs/dbraw/zinc/34/71/16/680347116.db2.gz FYVKICKWTJSUDG-CVSAEHQPSA-N 1 0 364.515 2.209 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2c(F)cccc2F)C1 ZINC001027075518 680354346 /nfs/dbraw/zinc/35/43/46/680354346.db2.gz UQCJEIQWCOVTSD-IYOUNJFTSA-N 1 0 350.409 2.494 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]Cc2nnc(C)s2)C1 ZINC001027114238 680355199 /nfs/dbraw/zinc/35/51/99/680355199.db2.gz UFVFSGQIRLBAKH-VYDXJSESSA-N 1 0 364.515 2.156 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@@H]([N@H+](C)CC2CCOCC2)C1 ZINC001027415410 680356351 /nfs/dbraw/zinc/35/63/51/680356351.db2.gz KZFMOBHHAKZMNN-QRVBRYPASA-N 1 0 350.503 2.317 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@H]([N@H+](C)CC2CCOCC2)C1 ZINC001027415409 680356492 /nfs/dbraw/zinc/35/64/92/680356492.db2.gz KZFMOBHHAKZMNN-OTWHNJEPSA-N 1 0 350.503 2.317 20 30 FEEDRO C=C(Br)CN(C)[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001027417172 680356510 /nfs/dbraw/zinc/35/65/10/680356510.db2.gz WLLPTACIDSMAHK-RBSFLKMASA-N 1 0 358.324 2.158 20 30 FEEDRO COC(=O)C[C@@H]([NH2+][C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2)C1CC1 ZINC000754523052 680361104 /nfs/dbraw/zinc/36/11/04/680361104.db2.gz ZGPNQXSAYVTEPB-IINYFYTJSA-N 1 0 361.467 2.367 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CC[N@H+](CCc2scnc2C)C1 ZINC001028860578 680386021 /nfs/dbraw/zinc/38/60/21/680386021.db2.gz AIBMZBDISHSREI-RYRKJORJSA-N 1 0 363.527 2.413 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H](C[N@@H+](C)Cc2snnc2C)C1 ZINC001029864952 680394649 /nfs/dbraw/zinc/39/46/49/680394649.db2.gz UMQYQRPQSCYMJT-VYDXJSESSA-N 1 0 364.515 2.108 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CC(=C)Br)C1 ZINC000999181276 680396898 /nfs/dbraw/zinc/39/68/98/680396898.db2.gz KBHPCRUVPWRKRU-ZNMIVQPWSA-N 1 0 357.292 2.457 20 30 FEEDRO C=C(Br)C[NH2+][C@@H]1CCCN(C(=O)[C@]23CCC[C@H]2OCC3)C1 ZINC000999676473 680409266 /nfs/dbraw/zinc/40/92/66/680409266.db2.gz OEQIYONIIGDBIZ-FMKPAKJESA-N 1 0 357.292 2.435 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)NC1(C2CC[NH+]([C@H](C)COC)CC2)CC1 ZINC001000152118 680421582 /nfs/dbraw/zinc/42/15/82/680421582.db2.gz ATHRHYVAPYHZND-NXHRZFHOSA-N 1 0 350.503 2.363 20 30 FEEDRO C=C(Br)CN1CCCC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001034213980 680431053 /nfs/dbraw/zinc/43/10/53/680431053.db2.gz FQVHRKODOJMNOK-QLFBSQMISA-N 1 0 358.324 2.206 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1cc(OC)ns1 ZINC001034941439 680440990 /nfs/dbraw/zinc/44/09/90/680440990.db2.gz KAUDMOKHJFASJY-BMFZPTHFSA-N 1 0 365.499 2.214 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1C[N@H+](CC2CCCCC2)CCO1 ZINC001035543830 680450385 /nfs/dbraw/zinc/45/03/85/680450385.db2.gz WPEVJPUEAYHJNX-FHWLQOOXSA-N 1 0 350.503 2.365 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1CCCC1CCOCC1 ZINC001038265614 680454222 /nfs/dbraw/zinc/45/42/22/680454222.db2.gz FVXOFPKVHYOYQY-OTWHNJEPSA-N 1 0 350.503 2.365 20 30 FEEDRO C#CC[N@@H+](C)CCCNC(=O)N(C)Cc1csc([C@H](C)OCC)n1 ZINC000836488986 680476116 /nfs/dbraw/zinc/47/61/16/680476116.db2.gz SNIICVLKVOKNDX-AWEZNQCLSA-N 1 0 352.504 2.337 20 30 FEEDRO C#CC[N@H+]1CCC[C@H]1COC(=O)COc1ccc(Br)cc1 ZINC000756545939 680484407 /nfs/dbraw/zinc/48/44/07/680484407.db2.gz XIUGRVOOWBQGOU-AWEZNQCLSA-N 1 0 352.228 2.469 20 30 FEEDRO C=C(Cl)C(C)(C)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[N@H+]1C)C2 ZINC001003861361 680544413 /nfs/dbraw/zinc/54/44/13/680544413.db2.gz BDGBCUJHAMKEJD-WCVJEAGWSA-N 1 0 367.921 2.498 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([C@@H]2CCC[N@H+]2CCCO)CC1 ZINC001004438356 680556370 /nfs/dbraw/zinc/55/63/70/680556370.db2.gz OSUUMWKEZAYPJO-QYZOEREBSA-N 1 0 350.503 2.053 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1CC[NH+](CC[C@H]2CCOC2)CC1 ZINC001006121968 680594114 /nfs/dbraw/zinc/59/41/14/680594114.db2.gz DJBPLJTZNYIGPZ-WDSOQIARSA-N 1 0 350.503 2.317 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCCC[C@@]2(CC[N@H+](CCO)C2)C1 ZINC001045972464 680642768 /nfs/dbraw/zinc/64/27/68/680642768.db2.gz BDNLNZKWDOLZBA-BJLQDIEVSA-N 1 0 350.503 2.055 20 30 FEEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)Nc1nnc(-c2c(F)cccc2Cl)s1 ZINC000841195674 680868598 /nfs/dbraw/zinc/86/85/98/680868598.db2.gz HRVWXTZPRIGPQI-GMSGAONNSA-N 1 0 366.809 2.231 20 30 FEEDRO CCc1c(NC(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)cnn1-c1cccc(Cl)c1 ZINC000841214622 680869401 /nfs/dbraw/zinc/86/94/01/680869401.db2.gz PCTMYRCKSQETKU-FZMZJTMJSA-N 1 0 358.833 2.321 20 30 FEEDRO F[C@H](C(F)(F)F)C(F)(F)Oc1ccc(C=NNC2=[NH+]CCN2)cc1 ZINC000841663317 680905060 /nfs/dbraw/zinc/90/50/60/680905060.db2.gz XSBHTWNFOZMZMU-SNVBAGLBSA-N 1 0 354.254 2.441 20 30 FEEDRO C#C[C@@H](NC(=O)NC[C@@]1(COC)CCC[NH2+]1)c1ccc(Cl)cc1F ZINC000841998964 680920754 /nfs/dbraw/zinc/92/07/54/680920754.db2.gz XFEUIODDZHXHQO-NVXWUHKLSA-N 1 0 353.825 2.221 20 30 FEEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)C1(c2cccc(Br)c2)CCCC1 ZINC000843463515 681005058 /nfs/dbraw/zinc/00/50/58/681005058.db2.gz XAKRJRUBMSOZEZ-DOMZBBRYSA-N 1 0 362.271 2.489 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N[C@H](CO)c2ccc(C(F)(F)F)cc2)CC1 ZINC000770886070 681031030 /nfs/dbraw/zinc/03/10/30/681031030.db2.gz SOUYHTXKAYFABX-MRXNPFEDSA-N 1 0 354.372 2.200 20 30 FEEDRO Cc1nsc(N2CC[C@H](NC(=O)CC3CC[NH+](C)CC3)[C@H]2C)c1C#N ZINC001050620867 681051912 /nfs/dbraw/zinc/05/19/12/681051912.db2.gz HAUBVLCFPSOGBF-CJNGLKHVSA-N 1 0 361.515 2.139 20 30 FEEDRO C#CCNC(=O)CC[N@H+]1CCC[C@H](C)[C@H]1CCNC(=O)OC(C)(C)C ZINC000844402648 681056965 /nfs/dbraw/zinc/05/69/65/681056965.db2.gz RPVQUPPEEWQMPU-JKSUJKDBSA-N 1 0 351.491 2.141 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@@H](C[NH2+]Cc2sccc2Cl)C1 ZINC001051834200 681069688 /nfs/dbraw/zinc/06/96/88/681069688.db2.gz JIORNEBIXDPWTP-GUTXKFCHSA-N 1 0 370.902 2.310 20 30 FEEDRO CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N ZINC000773271669 681133911 /nfs/dbraw/zinc/13/39/11/681133911.db2.gz VTEBZYJCCRDSLS-UONOGXRCSA-N 1 0 352.479 2.125 20 30 FEEDRO C=C[C@@H](C)ONC(=O)N[C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000845643300 681142614 /nfs/dbraw/zinc/14/26/14/681142614.db2.gz YDNUINLCMCGZEC-ZIAGYGMSSA-N 1 0 350.438 2.444 20 30 FEEDRO C[C@@H]1[C@H](COC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)CC[N@@H+]1C ZINC000845816386 681154460 /nfs/dbraw/zinc/15/44/60/681154460.db2.gz USEJFDKBKXZJFE-ZBFHGGJFSA-N 1 0 364.467 2.261 20 30 FEEDRO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](Nc3snc(C)c3C#N)C2)CC[N@@H+]1C ZINC001057770099 681164121 /nfs/dbraw/zinc/16/41/21/681164121.db2.gz SRFBELKGJPWCFR-OFQRWUPVSA-N 1 0 361.515 2.456 20 30 FEEDRO COC(=O)/C=C1\SCC(=O)N1CCC[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000775335801 681298602 /nfs/dbraw/zinc/29/86/02/681298602.db2.gz REFWTIAYGIJVDT-OMJMQIJPSA-N 1 0 359.451 2.189 20 30 FEEDRO C#CC[C@H]([NH2+]CCCN1C(=O)CS/C1=C\C(=O)OC)c1ccccc1 ZINC000775401831 681304238 /nfs/dbraw/zinc/30/42/38/681304238.db2.gz ZMTQWANSRULNAE-CQUHBBLWSA-N 1 0 358.463 2.321 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1cnc(F)c(Br)c1 ZINC000847388968 681372744 /nfs/dbraw/zinc/37/27/44/681372744.db2.gz LBPGUTXZYUWCKU-UHFFFAOYSA-N 1 0 357.227 2.291 20 30 FEEDRO CCN(CC)c1ccc(/C=[NH+]/[C@@H]2CCOC[C@@H]2OCCOC)c(O)c1 ZINC000776721625 681430045 /nfs/dbraw/zinc/43/00/45/681430045.db2.gz INRBYJNQJSCKMR-DITKOHGZSA-N 1 0 350.459 2.478 20 30 FEEDRO C=C(CC)C[N@@H+]1CCC[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2=O)C1 ZINC000776837156 681439551 /nfs/dbraw/zinc/43/95/51/681439551.db2.gz FHKVLXVKJICBEE-MRXNPFEDSA-N 1 0 351.491 2.496 20 30 FEEDRO C=C(CC)C[N@@H+]1CCC[C@H](N2CCN(C(=O)OC(C)(C)C)CC2=O)C1 ZINC000776837152 681439572 /nfs/dbraw/zinc/43/95/72/681439572.db2.gz FHKVLXVKJICBEE-INIZCTEOSA-N 1 0 351.491 2.496 20 30 FEEDRO O=C1C=COC2(CC[NH+](C[C@H](O)COc3ccccc3Cl)CC2)C1 ZINC000933654033 681446165 /nfs/dbraw/zinc/44/61/65/681446165.db2.gz NLAXGPGHLKKFHW-HNNXBMFYSA-N 1 0 351.830 2.417 20 30 FEEDRO COC(=O)c1ccc(OC[C@H](O)C[N@H+](C)Cc2cc(C#N)cs2)cc1 ZINC000933779385 681467396 /nfs/dbraw/zinc/46/73/96/681467396.db2.gz CAILQAMMHGZNCS-OAHLLOKOSA-N 1 0 360.435 2.278 20 30 FEEDRO C[C@@H]1CC=CC[C@H]1[NH2+]CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 ZINC000934620946 681601513 /nfs/dbraw/zinc/60/15/13/681601513.db2.gz MMPXJGGUKWREBG-ZACQAIPSSA-N 1 0 358.511 2.401 20 30 FEEDRO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCOC[C@@H]1CC1CCOCC1 ZINC000934641138 681604232 /nfs/dbraw/zinc/60/42/32/681604232.db2.gz DGJUAAQEVPMZEF-INIZCTEOSA-N 1 0 363.483 2.466 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CCOC2(CC[NH+](CC[C@@H](C)F)CC2)C1 ZINC000949194264 681623361 /nfs/dbraw/zinc/62/33/61/681623361.db2.gz MYSPEFABPPXWTN-ZACQAIPSSA-N 1 0 354.466 2.019 20 30 FEEDRO C=CCC[C@@H](O)C[NH2+][C@H](CO)c1ccccc1I ZINC000934828149 681643769 /nfs/dbraw/zinc/64/37/69/681643769.db2.gz IAWOBOPGCIALLF-BXUZGUMPSA-N 1 0 361.223 2.241 20 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/nfs/dbraw/zinc/75/56/93/681755693.db2.gz YRPCVYFGWNYREO-CABCVRRESA-N 1 0 369.307 2.259 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)N1CCN(Cc2ccc(O)c(Cl)c2)CC1 ZINC000913481822 685478414 /nfs/dbraw/zinc/47/84/14/685478414.db2.gz AFEPEWGQAUSWAM-UHFFFAOYSA-N 1 0 351.878 2.198 20 30 FEEDRO C[C@H]1CCC[N@@H+]1CCNS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000780866114 681879385 /nfs/dbraw/zinc/87/93/85/681879385.db2.gz IOFOLBZKYRNUCK-NSHDSACASA-N 1 0 361.389 2.340 20 30 FEEDRO C=CCN(Cc1ccc(OC)cc1)S(=O)(=O)C[C@@]12CC[N@H+](C1)CCC2 ZINC000913952279 685490050 /nfs/dbraw/zinc/49/00/50/685490050.db2.gz FQWLXMNJFBITMZ-IBGZPJMESA-N 1 0 364.511 2.499 20 30 FEEDRO Cc1nn(-c2cc[nH+]cc2)cc1C=NN1C(=S)N=NC1[C@H]1CCCO1 ZINC000783817709 682179246 /nfs/dbraw/zinc/17/92/46/682179246.db2.gz WWTDAPNVZKAQRM-CQSZACIVSA-N 1 0 355.427 2.190 20 30 FEEDRO C[N@H+](CC(=O)NC1(C#N)CCC1)CC(C)(C)CNC(=O)OC(C)(C)C ZINC000784342213 682217958 /nfs/dbraw/zinc/21/79/58/682217958.db2.gz PFTWCZKNPBJMCY-UHFFFAOYSA-N 1 0 352.479 2.032 20 30 FEEDRO N#Cc1ccc(CC[N@H+]2CC[C@@H]3CN(C(=O)C(F)(F)F)C[C@@H]3C2)cc1 ZINC000852134546 682225484 /nfs/dbraw/zinc/22/54/84/682225484.db2.gz FQANFFSXRAPNJP-CVEARBPZSA-N 1 0 351.372 2.443 20 30 FEEDRO C[NH+](C)[C@H](CNc1cccc(S(N)(=O)=O)c1C#N)C1CCCCC1 ZINC000784570942 682238346 /nfs/dbraw/zinc/23/83/46/682238346.db2.gz ILYAVPBCJLFFGK-MRXNPFEDSA-N 1 0 350.488 2.128 20 30 FEEDRO C=CCNC(=O)[C@H](C)SCC[NH+]1CCN(c2cccc(OC)c2)CC1 ZINC000918746408 685541917 /nfs/dbraw/zinc/54/19/17/685541917.db2.gz YGKPYBACDAJQBJ-INIZCTEOSA-N 1 0 363.527 2.241 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C)CC1 ZINC000786181604 682357498 /nfs/dbraw/zinc/35/74/98/682357498.db2.gz IBEIHIUIJAHPRD-GOEBONIOSA-N 1 0 351.491 2.399 20 30 FEEDRO C#C[C@H]([NH2+]C[C@H](O)COc1cccc(Br)c1)C1CCOCC1 ZINC000853116308 682377908 /nfs/dbraw/zinc/37/79/08/682377908.db2.gz TWEYBMZNRXYVOM-RDJZCZTQSA-N 1 0 368.271 2.207 20 30 FEEDRO C=C(Br)CNC(=O)C(=O)NC[C@H](C(C)C)[NH+]1CCCCCC1 ZINC000786631034 682393866 /nfs/dbraw/zinc/39/38/66/682393866.db2.gz ZEKBANROZDHCLE-CQSZACIVSA-N 1 0 374.323 2.028 20 30 FEEDRO C#CCN(CC(=O)NCC(C)(C)[NH+]1CCCCC1)C(=O)OC(C)(C)C ZINC000854248242 682529726 /nfs/dbraw/zinc/52/97/26/682529726.db2.gz RWQKPWOOPTWMKQ-UHFFFAOYSA-N 1 0 351.491 2.237 20 30 FEEDRO CCOC(=O)c1ccc(S(=O)(=O)NN=C2CCC[C@@H]([NH+](C)C)C2)cc1 ZINC000788435385 682529788 /nfs/dbraw/zinc/52/97/88/682529788.db2.gz QTZPNORGTKVKBP-OAHLLOKOSA-N 1 0 367.471 2.002 20 30 FEEDRO C#CCN(CC(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1)C(=O)OC(C)(C)C ZINC000855162734 682634454 /nfs/dbraw/zinc/63/44/54/682634454.db2.gz MEPIQGRQYXWLRJ-OAHLLOKOSA-N 1 0 351.491 2.093 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)c2cc(Br)c(=O)[nH]c2C)CC1 ZINC000796600529 683175885 /nfs/dbraw/zinc/17/58/85/683175885.db2.gz BPZOTYDBPBIZKU-UHFFFAOYSA-N 1 0 366.259 2.076 20 30 FEEDRO N#Cc1cc(S(N)(=O)=O)ccc1NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000797840430 683279774 /nfs/dbraw/zinc/27/97/74/683279774.db2.gz MDKDMAYCHWOKLO-INIZCTEOSA-N 1 0 362.499 2.415 20 30 FEEDRO C[C@@H]1CN(C(=O)C(=O)Nc2scc(C(C)(C)C)c2C#N)C[C@H]1CC[NH3+] ZINC000927828295 683319106 /nfs/dbraw/zinc/31/91/06/683319106.db2.gz XQBSUBKPFJUOJA-VXGBXAGGSA-N 1 0 362.499 2.299 20 30 FEEDRO N#Cc1ccsc1NC(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC000927892360 683335223 /nfs/dbraw/zinc/33/52/23/683335223.db2.gz CZHMOEXIRYLNBD-CYBMUJFWSA-N 1 0 360.483 2.187 20 30 FEEDRO C[NH+]1CCN(Cc2ccc(C(=O)N[C@@H](CC#N)C(F)(F)F)cc2)CC1 ZINC000928807748 683506667 /nfs/dbraw/zinc/50/66/67/683506667.db2.gz ATNKKNYYUDYKAN-HNNXBMFYSA-N 1 0 354.376 2.008 20 30 FEEDRO C=CCCS(=O)(=O)NCC1([N@H+](C)Cc2ccccc2)CCOCC1 ZINC000921631357 683526273 /nfs/dbraw/zinc/52/62/73/683526273.db2.gz KFLMIGKOEOTXJC-UHFFFAOYSA-N 1 0 352.500 2.163 20 30 FEEDRO N#Cc1ccc(Br)c(CNC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000921691514 683544375 /nfs/dbraw/zinc/54/43/75/683544375.db2.gz YWVMXUJXSZRPKP-CABCVRRESA-N 1 0 350.260 2.274 20 30 FEEDRO N#Cc1cc(C[NH2+][C@@H](Cc2ccccc2)C(=O)N2CCOCC2)cs1 ZINC000922002417 683634723 /nfs/dbraw/zinc/63/47/23/683634723.db2.gz XNVIRXLLBWJEQD-SFHVURJKSA-N 1 0 355.463 2.179 20 30 FEEDRO N#CCOc1cc(F)ccc1NC(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000930385493 683723176 /nfs/dbraw/zinc/72/31/76/683723176.db2.gz CJKGSTMNKGUIPI-ZFWWWQNUSA-N 1 0 364.446 2.429 20 30 FEEDRO C#CC[C@@H](CCOC)[NH2+]C[C@@H](O)COc1ccc(Br)cc1 ZINC000863589007 683746665 /nfs/dbraw/zinc/74/66/65/683746665.db2.gz IVAYUVLIXAIPDJ-LSDHHAIUSA-N 1 0 356.260 2.207 20 30 FEEDRO C#CC[C@H](CCOC)[NH2+]C[C@H](O)COc1cccc(Br)c1 ZINC000863589638 683746685 /nfs/dbraw/zinc/74/66/85/683746685.db2.gz SZOLEZZLOYTGEM-CABCVRRESA-N 1 0 356.260 2.207 20 30 FEEDRO CC#CC[N@H+](C)C[C@@H](O)c1ccc2c(c1)CN(C(=O)C(F)(F)F)CC2 ZINC000930588646 683756221 /nfs/dbraw/zinc/75/62/21/683756221.db2.gz IHXOATWTJWYAMT-MRXNPFEDSA-N 1 0 354.372 2.122 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)Nc2cc(OC)c(Br)cn2)CC1 ZINC000930790602 683785301 /nfs/dbraw/zinc/78/53/01/683785301.db2.gz LUSKPDAFPJWUPO-UHFFFAOYSA-N 1 0 367.247 2.072 20 30 FEEDRO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NC(=O)NCC(C)(C)CC#N)C2)[C@@H]1C(C)C ZINC000922838371 683790798 /nfs/dbraw/zinc/79/07/98/683790798.db2.gz XYJPGZITCJUQSN-JEWRLFTDSA-N 1 0 350.507 2.095 20 30 FEEDRO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NC(=O)NCC(C)(C)CC#N)C2)[C@@H]1C(C)C ZINC000922838373 683790944 /nfs/dbraw/zinc/79/09/44/683790944.db2.gz XYJPGZITCJUQSN-OAFZBRQQSA-N 1 0 350.507 2.095 20 30 FEEDRO C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000865608563 684004631 /nfs/dbraw/zinc/00/46/31/684004631.db2.gz KXMICNAUXVQVTH-ZIAGYGMSSA-N 1 0 359.898 2.480 20 30 FEEDRO CNS(=O)(=O)c1ccc(CC[NH2+][C@H]2CCc3ccc(C#N)cc32)cc1 ZINC000866579352 684122336 /nfs/dbraw/zinc/12/23/36/684122336.db2.gz QNLIBKPZIYPDQI-IBGZPJMESA-N 1 0 355.463 2.286 20 30 FEEDRO COC(=O)[C@H](c1ccc(C#N)cc1)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000866668753 684131887 /nfs/dbraw/zinc/13/18/87/684131887.db2.gz KDBBPCPEDWTYGL-KKUMJFAQSA-N 1 0 355.360 2.231 20 30 FEEDRO N#Cc1cc(F)cc(S(=O)(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000866775602 684150860 /nfs/dbraw/zinc/15/08/60/684150860.db2.gz JJXGAVQAQNACAS-OAHLLOKOSA-N 1 0 351.447 2.098 20 30 FEEDRO N#Cc1cc(F)cc(S(=O)(=O)NCC2CC[NH+](CC3CC3)CC2)c1 ZINC000867537641 684308260 /nfs/dbraw/zinc/30/82/60/684308260.db2.gz OKNOAPLINQDYER-UHFFFAOYSA-N 1 0 351.447 2.098 20 30 FEEDRO C=CC1(CC(=O)N2CCC[C@@H]2C[NH+](C)C)CN(C(=O)OC(C)(C)C)C1 ZINC000931663117 684322974 /nfs/dbraw/zinc/32/29/74/684322974.db2.gz QJXKMFXSORASMS-OAHLLOKOSA-N 1 0 351.491 2.352 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)c1nc(Br)sc1Cl ZINC000868581523 684513801 /nfs/dbraw/zinc/51/38/01/684513801.db2.gz IKFXMDJKVKCFFT-UHFFFAOYSA-N 1 0 350.669 2.244 20 30 FEEDRO N#Cc1cccc(C2(NC(=O)N[C@H]3CCC[N@@H+]4CCSC[C@@H]34)CC2)c1 ZINC000925165854 684533610 /nfs/dbraw/zinc/53/36/10/684533610.db2.gz LHJPYGDLSDZYPY-IRXDYDNUSA-N 1 0 356.495 2.426 20 30 FEEDRO C=C(Cl)C[C@H](N)c1nc(-c2ccc(N3CCC[N@@H+](C)CC3)nc2)no1 ZINC000872178280 684924826 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FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H](O)COc1cccc(C(F)(F)F)c1 ZINC000876619681 686229649 /nfs/dbraw/zinc/22/96/49/686229649.db2.gz BNCGGJQYWRZKLH-YPMHNXCESA-N 1 0 366.767 2.031 20 30 FEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC(C(=O)NCc2ccc(C)cc2)CC1 ZINC000876629826 686232596 /nfs/dbraw/zinc/23/25/96/686232596.db2.gz NOJHPYRZNAEWBY-QGZVFWFLSA-N 1 0 363.889 2.320 20 30 FEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1ccc(CC(=O)N2CCSCC2)cc1 ZINC000876633026 686233157 /nfs/dbraw/zinc/23/31/57/686233157.db2.gz QERBQDCOQFGJET-OAHLLOKOSA-N 1 0 367.902 2.213 20 30 FEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@H](C)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000876749343 686259844 /nfs/dbraw/zinc/25/98/44/686259844.db2.gz JJCDUWUHVYLKHE-CZUORRHYSA-N 1 0 364.877 2.200 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H]1CCN(c2ccccc2OC(F)F)C1 ZINC000876757295 686261505 /nfs/dbraw/zinc/26/15/05/686261505.db2.gz BSJGRMDVEUBXLE-RYUDHWBXSA-N 1 0 359.804 2.453 20 30 FEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)NCc1cccc(COC[C@@H]2CCCO2)c1 ZINC000876977893 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FEEDRO C=CCNC(=O)[C@H](C)[NH+]1CCC(Cc2nc(C(=O)OCC)cs2)CC1 ZINC000880264292 687024367 /nfs/dbraw/zinc/02/43/67/687024367.db2.gz SJQCVVKZVPIHMF-ZDUSSCGKSA-N 1 0 365.499 2.265 20 30 FEEDRO C#CCC1(O)CC[NH+](C[C@@H](O)COc2ccc(Br)cc2)CC1 ZINC000880476761 687052423 /nfs/dbraw/zinc/05/24/23/687052423.db2.gz FOEAXPHWYNBPJE-OAHLLOKOSA-N 1 0 368.271 2.039 20 30 FEEDRO N#CCOc1ccc(Cl)cc1Cn1cc([C@H]([NH3+])C2CCOCC2)nn1 ZINC000881302165 687122972 /nfs/dbraw/zinc/12/29/72/687122972.db2.gz NBXJGKODBFZDEN-QGZVFWFLSA-N 1 0 361.833 2.309 20 30 FEEDRO N#Cc1cnc(N2CCC[C@H]([NH2+]C3CCOCC3)C2)c(Br)c1 ZINC000882727972 687458241 /nfs/dbraw/zinc/45/82/41/687458241.db2.gz KXUSWAWOPFLFJC-AWEZNQCLSA-N 1 0 365.275 2.453 20 30 FEEDRO CC1([NH+]2CCC2)CCN(S(=O)(=O)c2ccc(C#N)c(Cl)c2)CC1 ZINC000882769100 687480645 /nfs/dbraw/zinc/48/06/45/687480645.db2.gz IBPLQXWIOFYZOM-UHFFFAOYSA-N 1 0 353.875 2.461 20 30 FEEDRO C=CCC[C@H]([NH2+]Cc1ccc(CS(=O)(=O)NC)cc1)[C@@H]1CCCO1 ZINC000883175314 687582164 /nfs/dbraw/zinc/58/21/64/687582164.db2.gz DOJCSLUCQXWHSW-ROUUACIJSA-N 1 0 352.500 2.339 20 30 FEEDRO C=CCC[C@H]([NH2+]C[C@H]1CS(=O)(=O)c2ccccc2O1)[C@H]1CCCO1 ZINC000883231924 687591434 /nfs/dbraw/zinc/59/14/34/687591434.db2.gz WIQATVKNZUZPGC-HRCADAONSA-N 1 0 351.468 2.325 20 30 FEEDRO C=C(C)C[C@H](CO)[NH2+]Cc1cn(-c2ccccc2Br)nn1 ZINC000883400751 687621773 /nfs/dbraw/zinc/62/17/73/687621773.db2.gz UISDUISWZBLPNF-GFCCVEGCSA-N 1 0 351.248 2.447 20 30 FEEDRO CC1(C)Cc2nc(NC(=O)C3CC4(C3)C[NH2+]C[C@@H]4C#N)sc2C(=O)C1 ZINC000884048367 687778264 /nfs/dbraw/zinc/77/82/64/687778264.db2.gz INHRQYFXUAOILQ-PNSNSFJUSA-N 1 0 358.467 2.376 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H]2CC[C@]3(CO[C@H](C)C3)O2)CC1 ZINC000884131238 687796879 /nfs/dbraw/zinc/79/68/79/687796879.db2.gz GHXUTHXIKZOCHN-AYBZRNKSSA-N 1 0 351.491 2.053 20 30 FEEDRO N#CC1(C[C@@H](O)C[NH+]2CCC(Oc3cncc(Cl)n3)CC2)CCC1 ZINC000886144557 688207003 /nfs/dbraw/zinc/20/70/03/688207003.db2.gz BBLCZVQTZRBPCI-CYBMUJFWSA-N 1 0 350.850 2.418 20 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/nfs/dbraw/zinc/25/35/76/689253576.db2.gz JSTHPEHXZWJRSV-MOPGFXCFSA-N 1 0 351.491 2.402 20 30 FEEDRO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]C2CCN(CC#N)CC2)C[C@@H]1C(F)(F)F ZINC000892908209 689263187 /nfs/dbraw/zinc/26/31/87/689263187.db2.gz DCDTUVCHRKEJEJ-KFWWJZLASA-N 1 0 361.408 2.474 20 30 FEEDRO C=CC[C@H](CO)C[NH2+][C@H]1C[C@@H](NC(=O)OC(C)(C)C)C12CCOCC2 ZINC000893283651 689326161 /nfs/dbraw/zinc/32/61/61/689326161.db2.gz NEEVTUFBJWENMB-HRCADAONSA-N 1 0 354.491 2.223 20 30 FEEDRO COC(=O)[C@H]1[C@H](C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)C1(F)F ZINC000893996143 689446006 /nfs/dbraw/zinc/44/60/06/689446006.db2.gz ZBHUIMGLFJCHLZ-JKSUJKDBSA-N 1 0 350.365 2.456 20 30 FEEDRO C=C(C)C[NH+]1CCC(NCc2c(I)cnn2C)CC1 ZINC000894229366 689490814 /nfs/dbraw/zinc/49/08/14/689490814.db2.gz PQRWIOJRSMSQNY-UHFFFAOYSA-N 1 0 374.270 2.155 20 30 FEEDRO C[C@H]1[C@@H](NC(=O)NCc2nc(C#N)cs2)CC[N@@H+]1Cc1ccccc1 ZINC000894884958 689613898 /nfs/dbraw/zinc/61/38/98/689613898.db2.gz MSMNOAVGUAZKAU-BBRMVZONSA-N 1 0 355.467 2.477 20 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360.479 2.399 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1nnn(C)c1C(F)(F)F)C(C)C ZINC000906675231 691300446 /nfs/dbraw/zinc/30/04/46/691300446.db2.gz SXHFHRYJGGEVGE-LBPRGKRZSA-N 1 0 359.396 2.262 20 30 FEEDRO C=CC(C)(C)CC(=O)Nc1cccc(S(=O)(=O)NCC[NH+](C)C)c1 ZINC000907400326 691471973 /nfs/dbraw/zinc/47/19/73/691471973.db2.gz MAIXWVZMBNJFRG-UHFFFAOYSA-N 1 0 353.488 2.067 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)N1CC[C@H](Oc2cncc(Br)c2)C1 ZINC000908331856 691661064 /nfs/dbraw/zinc/66/10/64/691661064.db2.gz GHUJSJDZRWEAQY-AWEZNQCLSA-N 1 0 368.275 2.332 20 30 FEEDRO CCOC(=O)C1CC[NH+](C2CCN(c3nccc(C#N)c3F)CC2)CC1 ZINC001164617354 719026525 /nfs/dbraw/zinc/02/65/25/719026525.db2.gz KJCXDDBKRJGZBB-UHFFFAOYSA-N 1 0 360.433 2.336 20 30 FEEDRO Cc1cnc(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c(C#N)c1 ZINC001164821395 720297166 /nfs/dbraw/zinc/29/71/66/720297166.db2.gz KNGMBVCCLAAJCD-RBUKOAKNSA-N 1 0 367.497 2.173 20 30 FEEDRO Cc1cnc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)c(C#N)n1 ZINC001164844183 720588259 /nfs/dbraw/zinc/58/82/59/720588259.db2.gz ZQEDSWZJZUFGBN-ZIFCJYIRSA-N 1 0 365.485 2.231 20 30 FEEDRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ncnc5ccc(C#N)cc54)C[C@@H]3C2)cn1 ZINC001164761045 721091492 /nfs/dbraw/zinc/09/14/92/721091492.db2.gz ALNHMURJKAABKW-MSOLQXFVSA-N 1 0 373.464 2.193 20 30 FEEDRO N#Cc1ncc(Cl)nc1N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164900335 721520989 /nfs/dbraw/zinc/52/09/89/721520989.db2.gz QJJZKDHZJBRTCD-UKRRQHHQSA-N 1 0 373.819 2.483 20 30 FEEDRO N#CCc1ccnc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164978003 722131197 /nfs/dbraw/zinc/13/11/97/722131197.db2.gz JDCCMRNTNVGVQO-PMACEKPBSA-N 1 0 363.465 2.270 20 30 FEEDRO CC(C)N1CC[C@H]([NH2+]CC(=O)NCC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000549344664 674035245 /nfs/dbraw/zinc/03/52/45/674035245.db2.gz VADSHRILCDFUQZ-RDJZCZTQSA-N 1 0 352.841 2.232 20 30 FEEDRO C=C(C)CN(CC)C(=O)C[NH+]1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000015042983 539610429 /nfs/dbraw/zinc/61/04/29/539610429.db2.gz UNCBXBDZGVXPTI-UHFFFAOYSA-N 1 0 359.470 2.467 20 30 FEEDRO C[C@@H](CNC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCC[C@H](C)C1 ZINC000041653149 540029639 /nfs/dbraw/zinc/02/96/39/540029639.db2.gz OCMWGFHIVTVYNC-STQMWFEESA-N 1 0 362.861 2.387 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000042903342 540083029 /nfs/dbraw/zinc/08/30/29/540083029.db2.gz LOSLLXRLLOEKST-UHFFFAOYSA-N 1 0 365.437 2.253 20 30 FEEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000047416590 540308500 /nfs/dbraw/zinc/30/85/00/540308500.db2.gz JJMFEJHGCVSUSF-GJZGRUSLSA-N 1 0 372.513 2.280 20 30 FEEDRO C[C@H](Oc1ccc(C#N)cc1)C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000050802834 540415517 /nfs/dbraw/zinc/41/55/17/540415517.db2.gz DIWILVHUDGPEIT-INIZCTEOSA-N 1 0 370.497 2.000 20 30 FEEDRO C[C@@H]1CN(C(=O)C2CC[NH+](CCOc3ccc(C#N)cc3)CC2)C[C@H](C)O1 ZINC000051764630 540443499 /nfs/dbraw/zinc/44/34/99/540443499.db2.gz PVDCTMXAOXOCOK-CALCHBBNSA-N 1 0 371.481 2.285 20 30 FEEDRO CCCCN(C)C(=O)C1CC[NH+](C[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC000052185833 540457256 /nfs/dbraw/zinc/45/72/56/540457256.db2.gz CQIKKKQIYJTNPE-LJQANCHMSA-N 1 0 373.497 2.268 20 30 FEEDRO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000052315129 540462341 /nfs/dbraw/zinc/46/23/41/540462341.db2.gz CCARABVSCGMMRN-IRXDYDNUSA-N 1 0 356.470 2.345 20 30 FEEDRO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000052930231 540500240 /nfs/dbraw/zinc/50/02/40/540500240.db2.gz LGANZAVPGGQOKC-HNNXBMFYSA-N 1 0 360.483 2.187 20 30 FEEDRO C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@@H](C(=O)Nc2cccc(C)n2)C1 ZINC000054203967 540574602 /nfs/dbraw/zinc/57/46/02/540574602.db2.gz RXOPKRRWNCYOCH-QGZVFWFLSA-N 1 0 356.470 2.241 20 30 FEEDRO N#Cc1ccc(C[N@H+]2CCCN(CC(=O)N3CCCCCC3)CC2)cc1 ZINC000054642640 540599867 /nfs/dbraw/zinc/59/98/67/540599867.db2.gz LXUOWNBJSWQIFG-UHFFFAOYSA-N 1 0 354.498 2.469 20 30 FEEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)NCC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000056014166 540694174 /nfs/dbraw/zinc/69/41/74/540694174.db2.gz LHLUGRSQTBSRIL-AYHJJNSGSA-N 1 0 357.502 2.335 20 30 FEEDRO Cc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000057675992 540806966 /nfs/dbraw/zinc/80/69/66/540806966.db2.gz NDVMFVKFZJERKH-JLTOFOAXSA-N 1 0 356.470 2.432 20 30 FEEDRO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)Nc2cccc(C#N)c2)c1 ZINC000060375507 541108208 /nfs/dbraw/zinc/10/82/08/541108208.db2.gz RRMMKGJGXYWVJE-UHFFFAOYSA-N 1 0 365.437 2.171 20 30 FEEDRO N#Cc1ccc(N2CC[NH+](CCC(=O)Nc3cccc(F)c3)CC2)nc1 ZINC000060481045 541113603 /nfs/dbraw/zinc/11/36/03/541113603.db2.gz JAOVRGSMQQYVRT-UHFFFAOYSA-N 1 0 353.401 2.243 20 30 FEEDRO C=CCc1ccc(OC[C@@H](O)CN2CCC[N@@H+](C3CC3)CC2)c(OC)c1 ZINC000061041170 541125920 /nfs/dbraw/zinc/12/59/20/541125920.db2.gz WCASJVXSFCOPMB-IBGZPJMESA-N 1 0 360.498 2.334 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)/C=C/c1ccc(C(=O)NC2CC2)cc1 ZINC000064361244 541203427 /nfs/dbraw/zinc/20/34/27/541203427.db2.gz QGHIUEKFAVLQBU-KPKJPENVSA-N 1 0 368.481 2.286 20 30 FEEDRO CC[C@@H](C)[N@H+](C)CCNC(=O)N1CCN(c2ccc(C#N)cc2F)CC1 ZINC000066196011 541289186 /nfs/dbraw/zinc/28/91/86/541289186.db2.gz AMTAQNYREKBWPO-OAHLLOKOSA-N 1 0 361.465 2.259 20 30 FEEDRO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CC[NH+](CCc2cccs2)CC1 ZINC000066435083 541317300 /nfs/dbraw/zinc/31/73/00/541317300.db2.gz VDQXKIBEBUIYLK-APWZRJJASA-N 1 0 362.543 2.351 20 30 FEEDRO C[NH+](C)[C@@H]1CCCN(C(=O)CCC(=O)N(CCC#N)c2ccccc2)C1 ZINC000066623380 541348610 /nfs/dbraw/zinc/34/86/10/541348610.db2.gz ITZRLHAMTHHUPI-GOSISDBHSA-N 1 0 356.470 2.266 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]2c2cccc3c2OCCO3)CC1 ZINC000066768798 541371603 /nfs/dbraw/zinc/37/16/03/541371603.db2.gz NGCGCTSKWXNSLD-GOSISDBHSA-N 1 0 354.450 2.467 20 30 FEEDRO N#Cc1ccc(N2CCC([NH2+]Cc3ccc4c(c3)OCCO4)CC2)nc1 ZINC000067011066 541405928 /nfs/dbraw/zinc/40/59/28/541405928.db2.gz PSAGUIFBDNWPCV-UHFFFAOYSA-N 1 0 350.422 2.483 20 30 FEEDRO N#Cc1cccnc1N1CCC[N@@H+](C[C@@H](O)COCc2ccccc2)CC1 ZINC000067460051 541467225 /nfs/dbraw/zinc/46/72/25/541467225.db2.gz YIJKMRVPXMFOPH-HXUWFJFHSA-N 1 0 366.465 2.043 20 30 FEEDRO C[C@H]1CN(C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)C[C@@H]1[NH+](C)C ZINC000542962199 541509631 /nfs/dbraw/zinc/50/96/31/541509631.db2.gz QPRGWXISXHTBCN-LRDDRELGSA-N 1 0 356.405 2.297 20 30 FEEDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC1(C#N)CC[NH+](C)CC1 ZINC000068359155 541581365 /nfs/dbraw/zinc/58/13/65/541581365.db2.gz PWBNUSDRACZHJV-NSHDSACASA-N 1 0 366.805 2.120 20 30 FEEDRO C[C@H](OC[C@@H]1CCCCO1)C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000068309992 541575495 /nfs/dbraw/zinc/57/54/95/541575495.db2.gz NBACVUQRIWSKCG-PXNSSMCTSA-N 1 0 373.497 2.423 20 30 FEEDRO CC[NH+]1CCC(n2nccc2NC(=O)COc2ccccc2C#N)CC1 ZINC000068742797 541624325 /nfs/dbraw/zinc/62/43/25/541624325.db2.gz BMVKHGGPTGRHOT-UHFFFAOYSA-N 1 0 353.426 2.429 20 30 FEEDRO C[C@@H](CNC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1)[N@H+](C)C1CC1 ZINC000069440497 541687018 /nfs/dbraw/zinc/68/70/18/541687018.db2.gz RCKACKRYFWHKCI-HOCLYGCPSA-N 1 0 373.476 2.448 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)[C@@H](CCC)NC(=O)Cc2ccccc2)CC1 ZINC000069703805 541705935 /nfs/dbraw/zinc/70/59/35/541705935.db2.gz JQPTUSKBWMCWFV-LJQANCHMSA-N 1 0 357.498 2.281 20 30 FEEDRO Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3[C@H](C)C[C@H]4CCCC[C@@H]43)CC2)o1 ZINC000072663603 541847751 /nfs/dbraw/zinc/84/77/51/541847751.db2.gz VBVDCJIQJQCZRC-KYJSFNMBSA-N 1 0 371.485 2.156 20 30 FEEDRO N#CCCn1cc(C[NH2+]CCCN2CCOCC2)c(-c2ccccc2)n1 ZINC000072713039 541855566 /nfs/dbraw/zinc/85/55/66/541855566.db2.gz LEPPBYIZOUPNFQ-UHFFFAOYSA-N 1 0 353.470 2.276 20 30 FEEDRO CCC[C@@H]1[C@@H](C)CCC[N@@H+]1CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 ZINC000072776502 541863849 /nfs/dbraw/zinc/86/38/49/541863849.db2.gz AUBNHCIYIRECTM-MAUKXSAKSA-N 1 0 373.501 2.404 20 30 FEEDRO CCCCCNC(=O)C1CC[NH+](C[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC000051800265 205184298 /nfs/dbraw/zinc/18/42/98/205184298.db2.gz WBEFMOSQBKBSQV-LJQANCHMSA-N 1 0 373.497 2.316 20 30 FEEDRO CC[NH+]1CCC(n2nccc2NC(=O)COc2ccc(C#N)cc2)CC1 ZINC000073024965 541909500 /nfs/dbraw/zinc/90/95/00/541909500.db2.gz QJJKMTYWABMPLO-UHFFFAOYSA-N 1 0 353.426 2.429 20 30 FEEDRO CC(C)[C@@H](CNC(=O)N[C@@H](C)c1cccc(C#N)c1)[NH+]1CCN(C)CC1 ZINC000073595961 541970786 /nfs/dbraw/zinc/97/07/86/541970786.db2.gz SGQRUFKHMFJIBX-QFBILLFUSA-N 1 0 357.502 2.190 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1ccc2c(c1)OCC(=O)N2)C(C)C ZINC000073806520 542002431 /nfs/dbraw/zinc/00/24/31/542002431.db2.gz MUXKCBCRUFJLID-QGZVFWFLSA-N 1 0 357.454 2.446 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(OC(C)C)cc2F)CC1 ZINC000076512890 542288124 /nfs/dbraw/zinc/28/81/24/542288124.db2.gz GBVBRBAZCJUSEE-UHFFFAOYSA-N 1 0 363.433 2.318 20 30 FEEDRO N#Cc1cc(NC(=O)C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)ccc1F ZINC000076639446 542303101 /nfs/dbraw/zinc/30/31/01/542303101.db2.gz SJDILEJNCAKXFP-MRXNPFEDSA-N 1 0 358.417 2.017 20 30 FEEDRO CC(=O)N[C@@H](CC(=O)NC1(C#N)CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000077039159 542342787 /nfs/dbraw/zinc/34/27/87/542342787.db2.gz SFQSKYQKAMQXGD-INIZCTEOSA-N 1 0 362.861 2.011 20 30 FEEDRO COc1cc(C#N)ccc1OCC[NH+]1CCC(NC(=O)c2ccoc2)CC1 ZINC000077270583 542361008 /nfs/dbraw/zinc/36/10/08/542361008.db2.gz FEQVWEPLUPTLNS-UHFFFAOYSA-N 1 0 369.421 2.433 20 30 FEEDRO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccc(F)c(C#N)c1)c1ccccc1 ZINC000077537924 542394286 /nfs/dbraw/zinc/39/42/86/542394286.db2.gz DPLRJKUWLWAAQW-KRWDZBQOSA-N 1 0 354.385 2.055 20 30 FEEDRO COc1ccc(CCNC(=[NH2+])NCc2ccc(C(=O)N(C)C)cc2)cc1 ZINC000077754462 542416126 /nfs/dbraw/zinc/41/61/26/542416126.db2.gz UQTLWNYKKONOQT-UHFFFAOYSA-N 1 0 354.454 2.044 20 30 FEEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[NH+]2CCC(O)CC2)c1C#N ZINC000078390967 542459843 /nfs/dbraw/zinc/45/98/43/542459843.db2.gz AQEWKFVRRYGKMH-UHFFFAOYSA-N 1 0 370.453 2.403 20 30 FEEDRO C[C@@](C#N)(NC(=O)CN1CC[N@H+](Cc2ccccc2)C(C)(C)C1)C1CC1 ZINC000078516969 542465279 /nfs/dbraw/zinc/46/52/79/542465279.db2.gz QHHZAYUWYVGKPN-NRFANRHFSA-N 1 0 354.498 2.391 20 30 FEEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1S[C@@H](C)C(=O)NCCC ZINC000078557820 542467187 /nfs/dbraw/zinc/46/71/87/542467187.db2.gz QLCFHAHFYVSPBS-HNNXBMFYSA-N 1 0 365.547 2.499 20 30 FEEDRO C=CCNC(=O)c1ccc(NC(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)cc1 ZINC000078801204 542481921 /nfs/dbraw/zinc/48/19/21/542481921.db2.gz GAXCLNAZOTZFHN-SFHVURJKSA-N 1 0 374.485 2.177 20 30 FEEDRO C[C@@H](C#N)OCC[N@H+](C)[C@@H](C)c1cccc(N2CCCS2(=O)=O)c1 ZINC000801946948 674156496 /nfs/dbraw/zinc/15/64/96/674156496.db2.gz QTECGYNMMVRKIY-GJZGRUSLSA-N 1 0 351.472 2.148 20 30 FEEDRO C=CCOCCCC(=O)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000079611219 542531111 /nfs/dbraw/zinc/53/11/11/542531111.db2.gz PLDKPRGJXUMULG-UHFFFAOYSA-N 1 0 359.470 2.305 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)Cc1ccc(NC(=O)C2CC2)cc1 ZINC000079757154 542541117 /nfs/dbraw/zinc/54/11/17/542541117.db2.gz NFADAMPHDJWQPB-UHFFFAOYSA-N 1 0 356.470 2.272 20 30 FEEDRO N#CCCCOc1cccc(NC(=O)C(=O)NCCC[NH+]2CCCCC2)c1 ZINC000080148145 542569829 /nfs/dbraw/zinc/56/98/29/542569829.db2.gz INYIRTHIZWTDSU-UHFFFAOYSA-N 1 0 372.469 2.300 20 30 FEEDRO C[NH+](C)CCN1C[C@@H](C(=O)N[C@@H](C#N)c2ccc(C(C)(C)C)cc2)CC1=O ZINC000081368469 542651526 /nfs/dbraw/zinc/65/15/26/542651526.db2.gz PVIWVJNFYGUHMJ-WMZOPIPTSA-N 1 0 370.497 2.075 20 30 FEEDRO CC(C)OCC[NH+]1CCC(NC(=O)Cc2ccc(OCC#N)cc2)CC1 ZINC000081996501 542682180 /nfs/dbraw/zinc/68/21/80/542682180.db2.gz YZIWCGDCGLJIMD-UHFFFAOYSA-N 1 0 359.470 2.137 20 30 FEEDRO [NH2+]=C(NCc1ccccc1Cn1cncn1)N[C@H]1CCOc2ccccc21 ZINC000083031130 542690141 /nfs/dbraw/zinc/69/01/41/542690141.db2.gz QIXRDYGOWKDBTO-SFHVURJKSA-N 1 0 362.437 2.255 20 30 FEEDRO C=CCOc1ccccc1C[NH2+]C1CCN(S(=O)(=O)C2CC2)CC1 ZINC000084961789 542723359 /nfs/dbraw/zinc/72/33/59/542723359.db2.gz COCYRAXKNRQFBC-UHFFFAOYSA-N 1 0 350.484 2.298 20 30 FEEDRO C[C@H](NC(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1)C(C)(C)C[NH+](C)C ZINC000085423792 542727327 /nfs/dbraw/zinc/72/73/27/542727327.db2.gz RTULLBICYSAREP-PKOBYXMFSA-N 1 0 371.529 2.382 20 30 FEEDRO CCC(CC)[C@@H](CNC(=O)Cc1cccc(OCC#N)c1)[NH+]1CCOCC1 ZINC000089659738 542768351 /nfs/dbraw/zinc/76/83/51/542768351.db2.gz JBWVYBTXILUQIQ-HXUWFJFHSA-N 1 0 373.497 2.385 20 30 FEEDRO C[NH+](C)[C@@H]1CC[C@H](NC(=O)N2CCN(c3cccc(F)c3C#N)CC2)C1 ZINC000091711579 542821233 /nfs/dbraw/zinc/82/12/33/542821233.db2.gz DJTFQZHBGNETRB-LSDHHAIUSA-N 1 0 359.449 2.012 20 30 FEEDRO CCN1CCN(C(=O)CC2CC[NH+](Cc3cc(C#N)cs3)CC2)CC1 ZINC000093141999 542912076 /nfs/dbraw/zinc/91/20/76/542912076.db2.gz BAYVWBBYTITTHX-UHFFFAOYSA-N 1 0 360.527 2.386 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCC(n2cncn2)CC1)C(C)C ZINC000101791167 543045723 /nfs/dbraw/zinc/04/57/23/543045723.db2.gz RXRPDDVZLINQCB-SFHVURJKSA-N 1 0 360.506 2.323 20 30 FEEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(Cc2ccccc2OC)CC1 ZINC000102410456 543069121 /nfs/dbraw/zinc/06/91/21/543069121.db2.gz OVVFVIYNEAASQY-OAHLLOKOSA-N 1 0 359.470 2.350 20 30 FEEDRO N#Cc1ccccc1NC(=O)CC[N@@H+]1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000103466783 543108985 /nfs/dbraw/zinc/10/89/85/543108985.db2.gz WOXGPSSQHKZQNK-MRXNPFEDSA-N 1 0 364.453 2.304 20 30 FEEDRO COc1ccc([C@H](CNS(=O)(=O)CCCCC#N)[NH+]2CCCC2)cc1 ZINC000104106632 543123674 /nfs/dbraw/zinc/12/36/74/543123674.db2.gz IUDTWTNWJXGJEU-SFHVURJKSA-N 1 0 365.499 2.445 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CCCN2C(=O)Cc2ccccc2)CC1 ZINC000106034191 543186149 /nfs/dbraw/zinc/18/61/49/543186149.db2.gz YPKRRXBTDBRAFV-FQEVSTJZSA-N 1 0 369.509 2.377 20 30 FEEDRO N#C[C@@H]1CN(C(=O)[C@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000106046125 543187054 /nfs/dbraw/zinc/18/70/54/543187054.db2.gz ZROTUOPRJMTAOB-WBVHZDCISA-N 1 0 367.371 2.192 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](CO)Cc2c[nH]c3ccccc23)CC1 ZINC000106340792 543224148 /nfs/dbraw/zinc/22/41/48/543224148.db2.gz CBVRAAKLVYCJLI-GOSISDBHSA-N 1 0 370.497 2.411 20 30 FEEDRO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)N3CCO[C@H](C#N)C3)cc2)C1 ZINC000106330808 543223720 /nfs/dbraw/zinc/22/37/20/543223720.db2.gz AISIVCAVYGYQDO-QFBILLFUSA-N 1 0 356.470 2.352 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cccc(COCC)c2)CC1 ZINC000106349042 543224699 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N#C[C@]1(NC(=O)CCC[NH+]2CCN(c3ccccc3)CC2)CCSC1 ZINC000111566220 543406743 /nfs/dbraw/zinc/40/67/43/543406743.db2.gz WKUFKQFHJFBRFO-LJQANCHMSA-N 1 0 358.511 2.104 20 30 FEEDRO CN(CCC#N)c1ccc(C[NH2+][C@H]2CCN(CC(F)(F)F)C2=O)cc1 ZINC000112101996 543430647 /nfs/dbraw/zinc/43/06/47/543430647.db2.gz PAKAHSMUIHWJIV-HNNXBMFYSA-N 1 0 354.376 2.289 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1ccc(-n2cncn2)nc1)C(C)C ZINC000112919789 543468521 /nfs/dbraw/zinc/46/85/21/543468521.db2.gz GQKRSNZDJPAMIA-KRWDZBQOSA-N 1 0 354.458 2.091 20 30 FEEDRO C#CCCOc1ccc(C[NH2+]C[C@@]2(N3CCOCC3)CCSC2)cc1 ZINC000113326477 543483737 /nfs/dbraw/zinc/48/37/37/543483737.db2.gz IMYHOLJXJYVHCQ-FQEVSTJZSA-N 1 0 360.523 2.386 20 30 FEEDRO O=C(NCC[NH2+]Cc1ccc(OC(F)(F)F)cc1)C1N=CC=CC1=O ZINC000113360760 543484602 /nfs/dbraw/zinc/48/46/02/543484602.db2.gz DUPYCBYTKITUER-PFONDFGASA-N 1 0 355.316 2.201 20 30 FEEDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@H](C)C(=O)N(CCC#N)c1ccc(C)cc1)CC2 ZINC000114803198 543537438 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2.162 20 30 FEEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000119433059 543667574 /nfs/dbraw/zinc/66/75/74/543667574.db2.gz KYPQRDFKBOSHFW-MJGOQNOKSA-N 1 0 357.502 2.289 20 30 FEEDRO Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123288521 543752604 /nfs/dbraw/zinc/75/26/04/543752604.db2.gz QGTFLOYDWFXLTF-CXAGYDPISA-N 1 0 368.485 2.092 20 30 FEEDRO N#CCNC(=O)C[NH2+][C@H](Cn1cnc2ccccc21)c1ccc(F)cc1 ZINC000124109663 543801517 /nfs/dbraw/zinc/80/15/17/543801517.db2.gz CZYHCNKBRXGZAZ-QGZVFWFLSA-N 1 0 351.385 2.146 20 30 FEEDRO C=CCOc1cc(OC)ccc1C(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000124881477 543848378 /nfs/dbraw/zinc/84/83/78/543848378.db2.gz XRAKLWJJAIZMQX-HOTGVXAUSA-N 1 0 362.470 2.489 20 30 FEEDRO Cc1ccc(C#N)cc1NC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)cc1 ZINC000125346558 543876489 /nfs/dbraw/zinc/87/64/89/543876489.db2.gz PZVBFZJQJKAHKJ-UHFFFAOYSA-N 1 0 366.421 2.384 20 30 FEEDRO N#Cc1cc(F)c(S(=O)(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)c(F)c1 ZINC000125603795 543891035 /nfs/dbraw/zinc/89/10/35/543891035.db2.gz GNAHLABSNUCXEM-AWEZNQCLSA-N 1 0 369.437 2.475 20 30 FEEDRO CCC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2c(F)cc(C#N)cc2F)C1 ZINC000125769282 543900763 /nfs/dbraw/zinc/90/07/63/543900763.db2.gz LNTJUKBRRVGZKR-GFCCVEGCSA-N 1 0 357.426 2.189 20 30 FEEDRO C[C@@H]1C[C@H](NC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)C[N@@H+]1C1CC1 ZINC000127833990 544016408 /nfs/dbraw/zinc/01/64/08/544016408.db2.gz AZBPLNZRKPIONS-ZBFHGGJFSA-N 1 0 371.460 2.154 20 30 FEEDRO C=CCOc1cc(OC)ccc1C(=O)N1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000127463418 543994579 /nfs/dbraw/zinc/99/45/79/543994579.db2.gz XSPHVTJBMDEVGE-QGZVFWFLSA-N 1 0 373.497 2.112 20 30 FEEDRO Cc1ccc(-n2nc(CCCNC(=O)C[N@@H+](C)C(C)C)c(C#N)c2N)cc1 ZINC000127516842 543997310 /nfs/dbraw/zinc/99/73/10/543997310.db2.gz SQQRDOCKJPRSNQ-UHFFFAOYSA-N 1 0 368.485 2.024 20 30 FEEDRO CCC(=O)c1ccc(OCC(=O)Nc2n[nH]c(CCC[NH2+]C)c2C#N)cc1 ZINC000128173037 544036872 /nfs/dbraw/zinc/03/68/72/544036872.db2.gz GNIJDIXWAQLAMZ-UHFFFAOYSA-N 1 0 369.425 2.044 20 30 FEEDRO C[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(C#N)cc2)C[N@@H+]1Cc1ccccc1 ZINC000128216796 544039571 /nfs/dbraw/zinc/03/95/71/544039571.db2.gz LVWKSQNSOSAIKD-CRAIPNDOSA-N 1 0 355.463 2.500 20 30 FEEDRO C[C@H]1C[C@@H](NS(=O)(=O)c2ccc(C#N)cc2)C[N@@H+]1Cc1ccccc1 ZINC000128217031 544039587 /nfs/dbraw/zinc/03/95/87/544039587.db2.gz LVWKSQNSOSAIKD-MAUKXSAKSA-N 1 0 355.463 2.500 20 30 FEEDRO Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CCC4(C3)CCCCC4)CC2)o1 ZINC000130027233 544136163 /nfs/dbraw/zinc/13/61/63/544136163.db2.gz GCNLRJIUGNDYFC-UHFFFAOYSA-N 1 0 371.485 2.160 20 30 FEEDRO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3CCC[C@@H]3CC(C)C)CC2)o1 ZINC000130245827 544144429 /nfs/dbraw/zinc/14/44/29/544144429.db2.gz WIPPPGQZGRWGML-MRXNPFEDSA-N 1 0 359.474 2.014 20 30 FEEDRO CN(CCC#N)C(=O)CC[N@@H+]1CCCC[C@@H]1CNC(=O)Nc1ccccc1 ZINC000131821448 544208182 /nfs/dbraw/zinc/20/81/82/544208182.db2.gz HDNNGMVYVCBUIF-GOSISDBHSA-N 1 0 371.485 2.425 20 30 FEEDRO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@H](C)[C@@H]2CO)cc1 ZINC000133002571 544252120 /nfs/dbraw/zinc/25/21/20/544252120.db2.gz JGTPBAOEIUJNQG-LPHOPBHVSA-N 1 0 359.470 2.425 20 30 FEEDRO CCOC(=O)CNC(=O)C1CC[NH+](CC#Cc2cccc(Cl)c2)CC1 ZINC000134540878 544312591 /nfs/dbraw/zinc/31/25/91/544312591.db2.gz ZZLCOWMIGPYUIC-UHFFFAOYSA-N 1 0 362.857 2.083 20 30 FEEDRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)Nc1ccc(C#N)cc1F ZINC000135835133 544361804 /nfs/dbraw/zinc/36/18/04/544361804.db2.gz USJPZILVXOSZRF-AWEZNQCLSA-N 1 0 360.433 2.407 20 30 FEEDRO C[NH+](C)Cc1cccc(CNC(=O)C(=O)Nc2ccc(C#N)cc2F)c1 ZINC000135852598 544362369 /nfs/dbraw/zinc/36/23/69/544362369.db2.gz IFPCBUJFZIOLPA-UHFFFAOYSA-N 1 0 354.385 2.014 20 30 FEEDRO C=CCNc1ncc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cn2)s1 ZINC000136176537 544368391 /nfs/dbraw/zinc/36/83/91/544368391.db2.gz DOQOVRAETCJBDL-UHFFFAOYSA-N 1 0 358.471 2.140 20 30 FEEDRO C[C@H](CNC(=O)C(=O)Nc1ccc(C#N)cc1F)[N@H+](C)Cc1ccccc1 ZINC000136245186 544369756 /nfs/dbraw/zinc/36/97/56/544369756.db2.gz MJZMDYXQTOQFRP-CQSZACIVSA-N 1 0 368.412 2.273 20 30 FEEDRO C[NH+](C)CCCNC(=O)c1cn(CCC#N)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000149719626 544458491 /nfs/dbraw/zinc/45/84/91/544458491.db2.gz YIJWPGHONBFIHM-UHFFFAOYSA-N 1 0 370.413 2.053 20 30 FEEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](C)[C@H]1CN(C)CCO1 ZINC000152506346 544663332 /nfs/dbraw/zinc/66/33/32/544663332.db2.gz OWNLGYKEIXVUOH-WMLDXEAASA-N 1 0 362.430 2.012 20 30 FEEDRO CCN(C(=O)[C@H](C)[N@H+](C)CCCc1[nH]nc(N)c1C#N)c1ccccc1 ZINC000153275709 544755217 /nfs/dbraw/zinc/75/52/17/544755217.db2.gz ITLWJSXVOOOIIV-AWEZNQCLSA-N 1 0 354.458 2.170 20 30 FEEDRO CCOc1ccccc1NC(=O)[C@@H](C)[N@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000153326901 544762716 /nfs/dbraw/zinc/76/27/16/544762716.db2.gz IXJMLGXQTZQPRA-CYBMUJFWSA-N 1 0 370.457 2.154 20 30 FEEDRO CCN1CCC[C@@H](NS(=O)(=O)c2cc(Br)cc(C#N)c2)C1 ZINC000155139949 544994462 /nfs/dbraw/zinc/99/44/62/544994462.db2.gz FTTYYTSJIAGBTL-CYBMUJFWSA-N 1 0 372.288 2.083 20 30 FEEDRO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N(C)Cc1cn(C)nc1C(F)(F)F ZINC000155068836 544983717 /nfs/dbraw/zinc/98/37/17/544983717.db2.gz XPKBTRFPTOZADY-ABAIWWIYSA-N 1 0 359.396 2.314 20 30 FEEDRO CCC[N@@H+]1CCCN(C(=O)C(=O)Nc2cccc(OCCCC#N)c2)CC1 ZINC000155073346 544985695 /nfs/dbraw/zinc/98/56/95/544985695.db2.gz MZFTXXCITSBYGB-UHFFFAOYSA-N 1 0 372.469 2.252 20 30 FEEDRO C=CCSCCNC(=O)C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000552503268 674212355 /nfs/dbraw/zinc/21/23/55/674212355.db2.gz QTGNOMBUGWPCIT-IAGOWNOFSA-N 1 0 367.559 2.135 20 30 FEEDRO CC(C)C(=O)N1CCC([NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000179970392 327666363 /nfs/dbraw/zinc/66/63/63/327666363.db2.gz UCENKWDJXZHMRZ-IBGZPJMESA-N 1 0 368.481 2.290 20 30 FEEDRO C[C@@H](NC(=O)c1c[nH]c(C#N)c1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000181271775 327723056 /nfs/dbraw/zinc/72/30/56/327723056.db2.gz VMOQVYGUCRLFKI-CYBMUJFWSA-N 1 0 355.417 2.268 20 30 FEEDRO COCCOc1ccc(C#N)cc1NC(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000184615899 327875575 /nfs/dbraw/zinc/87/55/75/327875575.db2.gz VLIYYJZSPWJIIN-INIZCTEOSA-N 1 0 356.426 2.061 20 30 FEEDRO C[C@@H]1CC[C@](CO)([N@H+](C)CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1 ZINC000188023071 328061064 /nfs/dbraw/zinc/06/10/64/328061064.db2.gz NAHMAXNGTOYWPT-QRWLVFNGSA-N 1 0 367.453 2.165 20 30 FEEDRO Cc1nc(C#N)c(N2CCC(C(=O)NC[C@H](C)C[NH+]3CCCCC3)CC2)o1 ZINC000189187664 328133723 /nfs/dbraw/zinc/13/37/23/328133723.db2.gz WAMYJNRAZKEIKP-HNNXBMFYSA-N 1 0 373.501 2.309 20 30 FEEDRO Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)Nc2ccc(F)cc2C#N)o1 ZINC000189368263 328143723 /nfs/dbraw/zinc/14/37/23/328143723.db2.gz IAWXMDFSNITHDK-UHFFFAOYSA-N 1 0 372.400 2.128 20 30 FEEDRO CCN(CCC[NH+]1CCCC1)C(=O)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000190689137 328225012 /nfs/dbraw/zinc/22/50/12/328225012.db2.gz CYULTESFZDYLSA-UHFFFAOYSA-N 1 0 362.861 2.485 20 30 FEEDRO CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000192482430 328321510 /nfs/dbraw/zinc/32/15/10/328321510.db2.gz RFUIVLWJZINYHU-UHFFFAOYSA-N 1 0 373.501 2.479 20 30 FEEDRO CC(C)[NH+]1CCC(NC(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)CC1 ZINC000192501829 328322617 /nfs/dbraw/zinc/32/26/17/328322617.db2.gz QFVLWMMDRWJOJK-UHFFFAOYSA-N 1 0 359.474 2.042 20 30 FEEDRO N#Cc1ccc(N2CCC[C@@H]([N@@H+]3CCS[C@H]4COCC[C@@H]43)C2=O)cc1 ZINC000192626169 328329223 /nfs/dbraw/zinc/32/92/23/328329223.db2.gz JUOLYFLFSUAARE-KSZLIROESA-N 1 0 357.479 2.260 20 30 FEEDRO Cc1nc(C#N)c(N2CCC(C(=O)N(C)CC[C@@H]3CCCC[N@@H+]3C)CC2)o1 ZINC000193369439 328371061 /nfs/dbraw/zinc/37/10/61/328371061.db2.gz NMZPODHWEBCTQJ-KRWDZBQOSA-N 1 0 373.501 2.404 20 30 FEEDRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1ccnc(C#N)c1 ZINC000193402747 328373058 /nfs/dbraw/zinc/37/30/58/328373058.db2.gz YKIHKNJKZHAANY-UHFFFAOYSA-N 1 0 365.437 2.356 20 30 FEEDRO CC(C)(C)OC(=O)N1C[C@@H]2C[N@@H+](C[C@@H](O)c3ccc(C#N)cc3)C[C@@H]2C1 ZINC000193488218 328378185 /nfs/dbraw/zinc/37/81/85/328378185.db2.gz XBENULRQLRFNLX-FGTMMUONSA-N 1 0 357.454 2.390 20 30 FEEDRO COc1cc(OC)c(OC)cc1CN1CCN(c2ccc(C#N)cn2)CC1 ZINC000193853547 328399058 /nfs/dbraw/zinc/39/90/58/328399058.db2.gz AYXWFBILNJJLRG-UHFFFAOYSA-N 1 0 368.437 2.301 20 30 FEEDRO Cc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000063815257 324867494 /nfs/dbraw/zinc/86/74/94/324867494.db2.gz LKFTYXUVRRFGEV-SFHVURJKSA-N 1 0 350.422 2.224 20 30 FEEDRO CCC[NH+]1CCC(CNC(=O)C(=O)Nc2cc(C#N)ccc2OCC)CC1 ZINC000077819825 325019086 /nfs/dbraw/zinc/01/90/86/325019086.db2.gz ZCSOBPDSSBACSW-UHFFFAOYSA-N 1 0 372.469 2.134 20 30 FEEDRO COC[C@](C)(CCO)[NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000079928938 325110278 /nfs/dbraw/zinc/11/02/78/325110278.db2.gz NBLRMJQZHNFMHZ-SFHVURJKSA-N 1 0 365.499 2.204 20 30 FEEDRO Cc1cccc(N2CC[NH+](CCCNC(=O)c3cc(C#N)cn3C)CC2)c1 ZINC000081659361 325192137 /nfs/dbraw/zinc/19/21/37/325192137.db2.gz XNBWYTYCRAASKM-UHFFFAOYSA-N 1 0 365.481 2.147 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H]2C[C@@H]2c2cccc(F)c2F)c1C#N ZINC000089663690 325326202 /nfs/dbraw/zinc/32/62/02/325326202.db2.gz CDNQHEFTNIIPMK-VXGBXAGGSA-N 1 0 359.380 2.454 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H](C)Oc2cccc(C(C)=O)c2)c1C#N ZINC000089675772 325326517 /nfs/dbraw/zinc/32/65/17/325326517.db2.gz AUEYUUWXEOCAHF-CYBMUJFWSA-N 1 0 369.425 2.042 20 30 FEEDRO COc1ccc(C[NH2+]C[C@@H]2C[C@H](O)CN2Cc2ccccc2)cc1C#N ZINC000089799480 325333711 /nfs/dbraw/zinc/33/37/11/325333711.db2.gz HAFBPDHAWRQVHO-PMACEKPBSA-N 1 0 351.450 2.292 20 30 FEEDRO N#Cc1ccccc1OCC(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000093065277 325433140 /nfs/dbraw/zinc/43/31/40/325433140.db2.gz XNMWDPGGTQSHHQ-UHFFFAOYSA-N 1 0 350.422 2.365 20 30 FEEDRO CC(C)[C@@H](C(=O)N1CCN(c2ncccc2C#N)CC1)[NH+]1CCCCC1 ZINC000104221232 325534501 /nfs/dbraw/zinc/53/45/01/325534501.db2.gz NBIOACUWBGUYHO-SFHVURJKSA-N 1 0 355.486 2.112 20 30 FEEDRO C[C@H](c1ccccc1)[NH+]1CCC(NS(=O)(=O)c2ccc(C#N)nc2)CC1 ZINC000116357622 326009156 /nfs/dbraw/zinc/00/91/56/326009156.db2.gz MSOVHTJCFRNNCR-OAHLLOKOSA-N 1 0 370.478 2.457 20 30 FEEDRO N#Cc1ccc([C@H]([NH2+][C@@H]2CCCN(c3cccc(F)c3)C2)C(N)=O)cc1 ZINC000116394019 326011028 /nfs/dbraw/zinc/01/10/28/326011028.db2.gz YYYQLLCJFRGKJP-MJGOQNOKSA-N 1 0 352.413 2.482 20 30 FEEDRO Cc1nc(C#N)c(N2CCN(C(=O)C[NH2+][C@H]3CCCCC3(C)C)CC2)o1 ZINC000119999222 326220062 /nfs/dbraw/zinc/22/00/62/326220062.db2.gz IHEZXOQVXVSCET-INIZCTEOSA-N 1 0 359.474 2.062 20 30 FEEDRO N#Cc1cc(NC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)ccc1F ZINC000120566475 326269180 /nfs/dbraw/zinc/26/91/80/326269180.db2.gz URLWNHVPRLVNOA-INIZCTEOSA-N 1 0 358.417 2.113 20 30 FEEDRO N#Cc1ccc([C@@H](O)C[NH+]2CCN(c3ncnc4sccc43)CC2)cc1 ZINC000122154690 326385934 /nfs/dbraw/zinc/38/59/34/326385934.db2.gz YCZVTRBEDPNVPU-KRWDZBQOSA-N 1 0 365.462 2.419 20 30 FEEDRO C[NH+](C)CCN(Cc1ccco1)S(=O)(=O)c1ccc(F)cc1C#N ZINC000126220971 326485218 /nfs/dbraw/zinc/48/52/18/326485218.db2.gz VKIPAHIHSIJJPM-UHFFFAOYSA-N 1 0 351.403 2.043 20 30 FEEDRO N#Cc1ccc(NC(=O)CC[NH+]2CCC(OC[C@H]3CCOC3)CC2)cc1 ZINC000132168357 326588284 /nfs/dbraw/zinc/58/82/84/326588284.db2.gz ZTJGBYVZSNAWTD-KRWDZBQOSA-N 1 0 357.454 2.404 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCc1ncccc1F ZINC000132479987 326593341 /nfs/dbraw/zinc/59/33/41/326593341.db2.gz LRFGUSHURHLGMO-UHFFFAOYSA-N 1 0 355.417 2.366 20 30 FEEDRO CC[NH+](CC)[C@@H](CNC(=O)CNC(=O)c1ccc(C#N)cc1)CC(C)C ZINC000151364687 326680570 /nfs/dbraw/zinc/68/05/70/326680570.db2.gz NCZGPRPGXAZTCB-GOSISDBHSA-N 1 0 358.486 2.161 20 30 FEEDRO C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)CSc1ccc(C#N)cc1 ZINC000152846937 326717855 /nfs/dbraw/zinc/71/78/55/326717855.db2.gz VWEZWTMJTRSELF-UHFFFAOYSA-N 1 0 368.462 2.450 20 30 FEEDRO Cc1ccc(C#N)cc1NC(=O)C(=O)NCc1ccc(C[NH+](C)C)c(F)c1 ZINC000153997334 326748457 /nfs/dbraw/zinc/74/84/57/326748457.db2.gz IPYQXSMVOWGFFV-UHFFFAOYSA-N 1 0 368.412 2.322 20 30 FEEDRO C[NH+](C)CCOc1ccccc1CNC(=O)CNc1cccc(C#N)c1 ZINC000155794429 326805267 /nfs/dbraw/zinc/80/52/67/326805267.db2.gz JDVDRGVRKUBTPT-UHFFFAOYSA-N 1 0 352.438 2.227 20 30 FEEDRO CC(C)C[C@H](CNC(=O)C(=O)Nc1ccc(OC(C)C)c(C#N)c1)[NH+](C)C ZINC000160129253 326954299 /nfs/dbraw/zinc/95/42/99/326954299.db2.gz WOASJHVXNHQSNF-QGZVFWFLSA-N 1 0 374.485 2.376 20 30 FEEDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NS(=O)(=O)c1cccc(C#N)c1 ZINC000162387668 327024541 /nfs/dbraw/zinc/02/45/41/327024541.db2.gz DNPFHZXHBFJMIP-KXBFYZLASA-N 1 0 355.463 2.357 20 30 FEEDRO CN(CC1CCN(c2cc[nH+]cc2)CC1)S(=O)(=O)c1ccccc1C#N ZINC000165938588 327079707 /nfs/dbraw/zinc/07/97/07/327079707.db2.gz FJNWWTRAYUPZOS-UHFFFAOYSA-N 1 0 370.478 2.490 20 30 FEEDRO CC(C)[NH+]1CCC(NC(=O)N2CCN(c3ccccc3C#N)CC2)CC1 ZINC000171003230 327111720 /nfs/dbraw/zinc/11/17/20/327111720.db2.gz YRKWEQWWIANSQD-UHFFFAOYSA-N 1 0 355.486 2.263 20 30 FEEDRO CC[NH+](CC)CCN(Cc1ccccc1)S(=O)(=O)c1ccc(C#N)nc1 ZINC000171083984 327116597 /nfs/dbraw/zinc/11/65/97/327116597.db2.gz MLBLGVSMHZJATQ-UHFFFAOYSA-N 1 0 372.494 2.486 20 30 FEEDRO Cc1nn(C)cc1[C@@H](C)NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000172600310 327210499 /nfs/dbraw/zinc/21/04/99/327210499.db2.gz HNKSHVSITOQWLQ-OAHLLOKOSA-N 1 0 368.485 2.435 20 30 FEEDRO Cc1nn(C)cc1[C@H](C)NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000172600313 327210569 /nfs/dbraw/zinc/21/05/69/327210569.db2.gz HNKSHVSITOQWLQ-HNNXBMFYSA-N 1 0 368.485 2.435 20 30 FEEDRO N#Cc1ccc(C[N@@H+](CCN2C(=O)NC3(CCCC3)C2=O)C2CC2)cc1 ZINC000172765643 327217796 /nfs/dbraw/zinc/21/77/96/327217796.db2.gz KKGDNKQLJYASJJ-UHFFFAOYSA-N 1 0 352.438 2.387 20 30 FEEDRO Cc1cccc(NC(=O)C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)c1C#N ZINC000173340497 327250670 /nfs/dbraw/zinc/25/06/70/327250670.db2.gz UYIIYNWXIABFDR-MRXNPFEDSA-N 1 0 354.454 2.140 20 30 FEEDRO C[NH+]1CCN(Cc2cccc(C(=O)NCc3cc(C#N)ccc3F)c2)CC1 ZINC000173355745 327251686 /nfs/dbraw/zinc/25/16/86/327251686.db2.gz IHIFTGPNLSSPHD-UHFFFAOYSA-N 1 0 366.440 2.375 20 30 FEEDRO N#Cc1ccc(OCCNC(=O)CC2([NH+]3CCOCC3)CCCC2)cc1 ZINC000173879972 327290949 /nfs/dbraw/zinc/29/09/49/327290949.db2.gz KMDMTIQJPBQEJW-UHFFFAOYSA-N 1 0 357.454 2.088 20 30 FEEDRO C[C@@H]([NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccc(C#N)cc1 ZINC000174009499 327301075 /nfs/dbraw/zinc/30/10/75/327301075.db2.gz UOJIADQLCJCBKL-CYBMUJFWSA-N 1 0 374.422 2.096 20 30 FEEDRO Cc1cccc(NC(=O)C(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)c1C#N ZINC000174578333 327336107 /nfs/dbraw/zinc/33/61/07/327336107.db2.gz OGKXRNOYCFZKFJ-GOSISDBHSA-N 1 0 368.412 2.363 20 30 FEEDRO Cc1cccc(NC(=O)C(=O)N[C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)c1C#N ZINC000174789086 327351254 /nfs/dbraw/zinc/35/12/54/327351254.db2.gz XBMMVZVTFVNCRE-IJEWVQPXSA-N 1 0 356.470 2.288 20 30 FEEDRO C[C@H](C[NH+]1C[C@@H](C)C[C@H](C)C1)NC(=O)C(=O)Nc1ccc(F)cc1C#N ZINC000175969017 327425232 /nfs/dbraw/zinc/42/52/32/327425232.db2.gz HNMPWKLKPLYMCA-MELADBBJSA-N 1 0 360.433 2.118 20 30 FEEDRO C[NH+](C)Cc1cc(CNC(=O)C(=O)Nc2ccc(F)cc2C#N)ccc1F ZINC000175986884 327426388 /nfs/dbraw/zinc/42/63/88/327426388.db2.gz XDUIUEPYRFCHLS-UHFFFAOYSA-N 1 0 372.375 2.153 20 30 FEEDRO CC(C)OCC[NH+]1CCC(NC(=O)NCCOc2ccc(C#N)cc2)CC1 ZINC000176414643 327454556 /nfs/dbraw/zinc/45/45/56/327454556.db2.gz RAGXPZNODLHMNP-UHFFFAOYSA-N 1 0 374.485 2.126 20 30 FEEDRO COC(=O)[C@@H](NC1CC[NH+](Cc2ccccn2)CC1)c1cccc(C#N)c1 ZINC000176719799 327471640 /nfs/dbraw/zinc/47/16/40/327471640.db2.gz RZPONJQNTAWBQH-FQEVSTJZSA-N 1 0 364.449 2.422 20 30 FEEDRO C[NH+](C)C[C@@H]1CCN(S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)C1 ZINC000265388590 329121508 /nfs/dbraw/zinc/12/15/08/329121508.db2.gz GZKRHDKTPMCJFV-LBPRGKRZSA-N 1 0 361.389 2.149 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)c(C(F)(F)F)c1 ZINC000266074613 329187753 /nfs/dbraw/zinc/18/77/53/329187753.db2.gz APISYWOAPZMRBQ-GFCCVEGCSA-N 1 0 373.400 2.340 20 30 FEEDRO N#Cc1cccc(NC(=O)C2CC[NH+](CCn3ccc([N+](=O)[O-])n3)CC2)c1 ZINC000267113657 329293296 /nfs/dbraw/zinc/29/32/96/329293296.db2.gz YFIZLONZEVEBLQ-UHFFFAOYSA-N 1 0 368.397 2.014 20 30 FEEDRO CN(C)C(=O)CC[NH+]1CCN(c2c(C#N)cnc3ccc(Cl)cc32)CC1 ZINC000268428978 329418649 /nfs/dbraw/zinc/41/86/49/329418649.db2.gz ZOQWRUTWNXWUOE-UHFFFAOYSA-N 1 0 371.872 2.360 20 30 FEEDRO N#Cc1ccc(NC(=O)C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)c(Cl)c1 ZINC000269108816 329486495 /nfs/dbraw/zinc/48/64/95/329486495.db2.gz PRKBPJHEMDATDC-AWEZNQCLSA-N 1 0 360.845 2.237 20 30 FEEDRO C[C@H]([NH2+]C[C@H](O)COc1ccc(C#N)cc1)c1ccc([S@](C)=O)cc1 ZINC000271824768 329728495 /nfs/dbraw/zinc/72/84/95/329728495.db2.gz PRRPXGGHYAFCCY-LIHGKODYSA-N 1 0 358.463 2.386 20 30 FEEDRO CN(C)[C@@]1(C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)CCSC1 ZINC000272306772 329768975 /nfs/dbraw/zinc/76/89/75/329768975.db2.gz OGGWDEAHWNYWCB-LJQANCHMSA-N 1 0 355.511 2.486 20 30 FEEDRO COc1ncc(NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1C(N)=O ZINC000272799618 329814254 /nfs/dbraw/zinc/81/42/54/329814254.db2.gz ZNEAOAHKBNPQNG-UHFFFAOYSA-N 1 0 365.437 2.137 20 30 FEEDRO C[C@@H]([NH2+]CC(=O)NCc1ccc(C#N)cc1)c1ccc([S@@](C)=O)cc1 ZINC000272978862 329827938 /nfs/dbraw/zinc/82/79/38/329827938.db2.gz QAPXELPYQOQANW-DLUDVSRJSA-N 1 0 355.463 2.263 20 30 FEEDRO CN(C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1)C(=O)NCCn1cccc1 ZINC000328630859 523045558 /nfs/dbraw/zinc/04/55/58/523045558.db2.gz QHZVATNNYHEUQB-FUHWJXTLSA-N 1 0 358.490 2.151 20 30 FEEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000155622095 545551134 /nfs/dbraw/zinc/55/11/34/545551134.db2.gz QEKARPHEKYAXIL-MJGOQNOKSA-N 1 0 357.502 2.289 20 30 FEEDRO CN(Cc1ccc(C#N)cc1)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000156118047 545599924 /nfs/dbraw/zinc/59/99/24/545599924.db2.gz VUYMVKDGAMEXHC-UXHICEINSA-N 1 0 370.497 2.468 20 30 FEEDRO N#Cc1cccc(S(=O)(=O)CCN(CCO)[C@@H]2CCc3ccccc32)c1 ZINC000156828197 545665752 /nfs/dbraw/zinc/66/57/52/545665752.db2.gz VJHTZUGBCXMNNQ-HXUWFJFHSA-N 1 0 370.474 2.314 20 30 FEEDRO CC[C@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000157544312 545753581 /nfs/dbraw/zinc/75/35/81/545753581.db2.gz FRVPUKXBKMAVIY-ZDUSSCGKSA-N 1 0 366.443 2.009 20 30 FEEDRO CC(C)Oc1ccc(NC(=O)N[C@@H](C)CN2CC[NH+](C)CC2)cc1C#N ZINC000157873249 545794568 /nfs/dbraw/zinc/79/45/68/545794568.db2.gz GOSMLZMPOCSYAG-HNNXBMFYSA-N 1 0 359.474 2.103 20 30 FEEDRO COc1cc2c(cc1CN[C@@H](C(N)=O)c1ccc(C#N)cc1)O[C@H](C)C2 ZINC000158882910 545902914 /nfs/dbraw/zinc/90/29/14/545902914.db2.gz NRJWYERWDROVBS-CWTRNNRKSA-N 1 0 351.406 2.206 20 30 FEEDRO C[NH+]=C(NC[C@@H](c1ccco1)N(C)C)N1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000160053306 546003406 /nfs/dbraw/zinc/00/34/06/546003406.db2.gz QZPBPHYAKNRHII-IKGGRYGDSA-N 1 0 358.490 2.237 20 30 FEEDRO C[N@H+](CCNS(=O)(=O)Cc1cc(C#N)ccc1F)C1CCCCC1 ZINC000161447857 546130906 /nfs/dbraw/zinc/13/09/06/546130906.db2.gz KHWGKRCMXGNVOI-UHFFFAOYSA-N 1 0 353.463 2.381 20 30 FEEDRO COc1ccc(N2CC[NH+](CCCNC(=O)NCCCCC#N)CC2)cc1 ZINC000170886478 546180989 /nfs/dbraw/zinc/18/09/89/546180989.db2.gz JPVYHXSQNBMWQV-UHFFFAOYSA-N 1 0 373.501 2.200 20 30 FEEDRO C[C@H](O)c1ccc(CNC(=[NH2+])N2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000170908192 546181580 /nfs/dbraw/zinc/18/15/80/546181580.db2.gz HIKVSNGAJNHITR-AWEZNQCLSA-N 1 0 362.474 2.107 20 30 FEEDRO COc1ccc(CCNC(=[NH2+])NC[C@H](O)c2cccc(F)c2)cc1OC ZINC000170911684 546181605 /nfs/dbraw/zinc/18/16/05/546181605.db2.gz UTWOAMWFZWTZGZ-INIZCTEOSA-N 1 0 361.417 2.023 20 30 FEEDRO N#CC1(NC(=O)CN2CCCCCC2=O)CC[NH+](Cc2ccccc2)CC1 ZINC000479243617 561185650 /nfs/dbraw/zinc/18/56/50/561185650.db2.gz MBGVWGGAMWDAKV-UHFFFAOYSA-N 1 0 368.481 2.064 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CC(=O)N(c3ccccc3)C2)CC1 ZINC000171557379 546213754 /nfs/dbraw/zinc/21/37/54/546213754.db2.gz CWHOZNUFQSJKSH-KRWDZBQOSA-N 1 0 356.470 2.132 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)[C@H]2CSCN2C(=O)CC(C)(C)C)CC1 ZINC000171632998 546217679 /nfs/dbraw/zinc/21/76/79/546217679.db2.gz NRCNFEDAHNHWBM-OAHLLOKOSA-N 1 0 353.532 2.091 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)CC1 ZINC000171717522 546220522 /nfs/dbraw/zinc/22/05/22/546220522.db2.gz OGMRCJAVIHVKRD-AWEZNQCLSA-N 1 0 361.873 2.460 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)[C@H]2CSCN2C(=O)/C(C)=C/CC)CC1 ZINC000171715372 546220653 /nfs/dbraw/zinc/22/06/53/546220653.db2.gz PHZQDQNRBSPSSO-QHDPKREISA-N 1 0 351.516 2.011 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)[C@H]2CCCN2c2ncnc3sccc32)CC1 ZINC000171715077 546220745 /nfs/dbraw/zinc/22/07/45/546220745.db2.gz XYOFEPGLERQHLH-MRXNPFEDSA-N 1 0 371.510 2.427 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)[C@H]2CCN(c3cc(C)cc(C)c3)C2=O)CC1 ZINC000171715622 546220956 /nfs/dbraw/zinc/22/09/56/546220956.db2.gz SMJHIQQAKBMPKG-LJQANCHMSA-N 1 0 355.482 2.423 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)CCc2nc(-c3ccc(OC)cc3)no2)CC1 ZINC000171720837 546221487 /nfs/dbraw/zinc/22/14/87/546221487.db2.gz SVVQGTPRBAYCGF-UHFFFAOYSA-N 1 0 370.453 2.444 20 30 FEEDRO C=CCOc1ccccc1CNC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000171854596 546227868 /nfs/dbraw/zinc/22/78/68/546227868.db2.gz OARWBEAMNRLSIR-SFHVURJKSA-N 1 0 361.486 2.407 20 30 FEEDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccccc2SCCC#N)C1 ZINC000173727342 546285540 /nfs/dbraw/zinc/28/55/40/546285540.db2.gz AMSVDBDRIRXOES-HNNXBMFYSA-N 1 0 374.510 2.431 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N2CCn3c(nnc3-c3ccccc3)C2)CC1 ZINC000174776312 546303168 /nfs/dbraw/zinc/30/31/68/546303168.db2.gz WQKQQYDVXRRBAU-UHFFFAOYSA-N 1 0 366.469 2.121 20 30 FEEDRO N#Cc1ccc(CC(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)cc1 ZINC000176043617 546396047 /nfs/dbraw/zinc/39/60/47/546396047.db2.gz MCKUKGGJZKCSDX-UHFFFAOYSA-N 1 0 363.461 2.374 20 30 FEEDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)N2CCN(c3ccccc3C#N)CC2)C1 ZINC000176638882 546471258 /nfs/dbraw/zinc/47/12/58/546471258.db2.gz SJLXLNSWSZERFO-ROUUACIJSA-N 1 0 355.486 2.263 20 30 FEEDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NS(=O)(=O)Cc1ccc(C#N)cc1F ZINC000480695020 561214707 /nfs/dbraw/zinc/21/47/07/561214707.db2.gz IQTANEQSSIIOLP-ZIAGYGMSSA-N 1 0 353.463 2.237 20 30 FEEDRO C=CC[N@H+](CCC(=O)NC(=O)NCC(F)(F)F)CCc1ccccc1 ZINC000177025844 546526908 /nfs/dbraw/zinc/52/69/08/546526908.db2.gz PBOCCEZVTVZXGK-UHFFFAOYSA-N 1 0 357.376 2.495 20 30 FEEDRO N#Cc1cc(F)c(S(=O)(=O)N2CCC[C@@H]2C[NH+]2CCCC2)c(F)c1 ZINC000177135329 546551791 /nfs/dbraw/zinc/55/17/91/546551791.db2.gz IFQPXCZUJXZGPK-CYBMUJFWSA-N 1 0 355.410 2.085 20 30 FEEDRO C[C@@H]1C[C@@H](NC(=O)CCC(=O)N(CCC#N)c2ccccc2)C[N@@H+]1C1CC1 ZINC000177146130 546554866 /nfs/dbraw/zinc/55/48/66/546554866.db2.gz UAXZLZKGOCONPB-IAGOWNOFSA-N 1 0 368.481 2.455 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@@H]1COCCN1C1CCCC1)C(C)C ZINC000480948462 561221078 /nfs/dbraw/zinc/22/10/78/561221078.db2.gz AXNCVMDIWXXOPJ-PMACEKPBSA-N 1 0 363.546 2.445 20 30 FEEDRO N#Cc1ccc(CS(=O)(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)c(F)c1 ZINC000481017989 561222954 /nfs/dbraw/zinc/22/29/54/561222954.db2.gz DJTYFXKOEPBUBF-OAHLLOKOSA-N 1 0 351.447 2.134 20 30 FEEDRO COc1cc(OC)cc(N2CC[C@@H]([NH2+]Cc3cccc(C#N)c3)C2=O)c1 ZINC000177711522 546672267 /nfs/dbraw/zinc/67/22/67/546672267.db2.gz AQJXDRJKPRAFML-LJQANCHMSA-N 1 0 351.406 2.471 20 30 FEEDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)C1 ZINC000178027498 546725367 /nfs/dbraw/zinc/72/53/67/546725367.db2.gz QTWAWQHZEJXXSC-SJORKVTESA-N 1 0 356.470 2.415 20 30 FEEDRO CCOc1ccc(C#N)cc1NC(=O)C(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000178100923 546739143 /nfs/dbraw/zinc/73/91/43/546739143.db2.gz OSGQJUZNEXPYOM-MRXNPFEDSA-N 1 0 372.469 2.228 20 30 FEEDRO Cc1csc(CNC(NCC(=O)N(C)C)=[NH+][C@H]2CCCC[C@H]2C)n1 ZINC000178208187 546757458 /nfs/dbraw/zinc/75/74/58/546757458.db2.gz FZDQNKRIODWKIC-OCCSQVGLSA-N 1 0 351.520 2.154 20 30 FEEDRO CN(C(=O)c1cc(C#N)cn1C)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000178928934 546874913 /nfs/dbraw/zinc/87/49/13/546874913.db2.gz YQJQQWQXPIQEQS-MOPGFXCFSA-N 1 0 371.529 2.306 20 30 FEEDRO C=CCOc1c(Br)cc(C[NH2+]C[C@]2(O)CCOC2)cc1OC ZINC000179018596 546887410 /nfs/dbraw/zinc/88/74/10/546887410.db2.gz YQBZXWGINAJWNC-MRXNPFEDSA-N 1 0 372.259 2.264 20 30 FEEDRO COc1ccccc1CNC(=[NH2+])NC[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000179395222 546945856 /nfs/dbraw/zinc/94/58/56/546945856.db2.gz HWVXUGZFGSLHEP-KRWDZBQOSA-N 1 0 366.465 2.148 20 30 FEEDRO C[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc(F)c(C#N)c2)[C@@H]1c1ccccc1 ZINC000179475525 546960689 /nfs/dbraw/zinc/96/06/89/546960689.db2.gz GBOYOCNYLHFLBM-ROUUACIJSA-N 1 0 366.396 2.197 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)Cc2c(C)nn(CC(F)(F)F)c2C)CC1 ZINC000179668469 546995291 /nfs/dbraw/zinc/99/52/91/546995291.db2.gz RDXVIKRNCJNZRF-UHFFFAOYSA-N 1 0 358.408 2.371 20 30 FEEDRO C[NH+](C)CCOC1CCN(C(=O)C(C)(C)Oc2ccc(C#N)cc2)CC1 ZINC000482174740 561249636 /nfs/dbraw/zinc/24/96/36/561249636.db2.gz IZHLJGNZVDAGDM-UHFFFAOYSA-N 1 0 359.470 2.285 20 30 FEEDRO Cc1noc(C)c1S(=O)(=O)N1CCC[N@H+](CC(C)(C)CCC#N)CC1 ZINC000179808454 547015228 /nfs/dbraw/zinc/01/52/28/547015228.db2.gz PLWQSBQOPYRQJE-UHFFFAOYSA-N 1 0 368.503 2.318 20 30 FEEDRO Cn1cc(C[NH2+]CCCOC[C@@H]2CCOC2)c(-c2ccc(C#N)cc2)n1 ZINC000180237336 547071469 /nfs/dbraw/zinc/07/14/69/547071469.db2.gz UJQRXYLXXIYRFT-KRWDZBQOSA-N 1 0 354.454 2.492 20 30 FEEDRO N#CC1(NC(=O)c2cc([N+](=O)[O-])c[nH]2)CC[NH+](Cc2ccccc2)CC1 ZINC000482526402 561255563 /nfs/dbraw/zinc/25/55/63/561255563.db2.gz CIFXILXQLFLTAA-UHFFFAOYSA-N 1 0 353.382 2.211 20 30 FEEDRO C=CCNC(=O)CNC(=O)NCc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000180351840 547088918 /nfs/dbraw/zinc/08/89/18/547088918.db2.gz KGCCNMZYXXFGEN-IAGOWNOFSA-N 1 0 372.513 2.266 20 30 FEEDRO C#Cc1cccc(NC(=O)C(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000180402561 547101456 /nfs/dbraw/zinc/10/14/56/547101456.db2.gz GRBWDARMSTVDKQ-RDJZCZTQSA-N 1 0 353.466 2.376 20 30 FEEDRO N#CC1(c2ccc(C(=O)NC3CC[NH+](C[C@H]4CCOC4)CC3)cc2)CC1 ZINC000180438087 547108228 /nfs/dbraw/zinc/10/82/28/547108228.db2.gz KHCBMYGIFYXCJW-MRXNPFEDSA-N 1 0 353.466 2.472 20 30 FEEDRO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCCN(CC(F)F)CC1 ZINC000180575005 547133380 /nfs/dbraw/zinc/13/33/80/547133380.db2.gz DOZAXEXXMCMFES-QGZVFWFLSA-N 1 0 354.441 2.428 20 30 FEEDRO COc1ccccc1CNC(=[NH2+])NCc1ccc(N2CCOC2=O)cc1 ZINC000180936731 547214285 /nfs/dbraw/zinc/21/42/85/547214285.db2.gz VZMCGKOSRNMJDC-UHFFFAOYSA-N 1 0 354.410 2.256 20 30 FEEDRO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000181275481 547283831 /nfs/dbraw/zinc/28/38/31/547283831.db2.gz XYYHEEWBTRHZFQ-HUUCEWRRSA-N 1 0 358.442 2.302 20 30 FEEDRO CC[C@@H](O)C[NH+]1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 ZINC000181438155 547315865 /nfs/dbraw/zinc/31/58/65/547315865.db2.gz XWBRACHCHBXSNR-HZPDHXFCSA-N 1 0 352.276 2.402 20 30 FEEDRO C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000181720389 547367122 /nfs/dbraw/zinc/36/71/22/547367122.db2.gz SNSCSMJGQWXAJA-OAHLLOKOSA-N 1 0 370.453 2.003 20 30 FEEDRO C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000181719798 547367481 /nfs/dbraw/zinc/36/74/81/547367481.db2.gz LIDBTQFBJBLNSO-OAHLLOKOSA-N 1 0 370.453 2.003 20 30 FEEDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccccc2O[C@@H](C)C#N)C1 ZINC000181911940 547402713 /nfs/dbraw/zinc/40/27/13/547402713.db2.gz YWDFWCKYCYESII-HOTGVXAUSA-N 1 0 372.469 2.010 20 30 FEEDRO NC(=O)C[C@H]([NH2+]CC#Cc1ccc(C(F)(F)F)cc1)C1CCOCC1 ZINC000181930209 547407245 /nfs/dbraw/zinc/40/72/45/547407245.db2.gz OMWQGEYMBIBDQR-INIZCTEOSA-N 1 0 354.372 2.317 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)c2cccc(-c3nnc(COC)o3)c2)CC1 ZINC000182033761 547425864 /nfs/dbraw/zinc/42/58/64/547425864.db2.gz BBKOKALCXFDEQB-UHFFFAOYSA-N 1 0 356.426 2.263 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)NCCCCC(=O)OCc2ccccc2)CC1 ZINC000182381814 547481796 /nfs/dbraw/zinc/48/17/96/547481796.db2.gz BNQHJYPRDJJGLZ-UHFFFAOYSA-N 1 0 356.466 2.362 20 30 FEEDRO C[C@@H]1C[C@@H](C)C[NH+](CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)C1 ZINC000182622029 547523446 /nfs/dbraw/zinc/52/34/46/547523446.db2.gz NXSJCTAZJPIYRJ-ZACQAIPSSA-N 1 0 360.527 2.435 20 30 FEEDRO C=C(C)C[N@@H+](CC)CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000182670378 547530124 /nfs/dbraw/zinc/53/01/24/547530124.db2.gz WRHJBLIVKGHZLR-IBGZPJMESA-N 1 0 358.461 2.433 20 30 FEEDRO C=C(C)COCCNC(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000182723365 547541129 /nfs/dbraw/zinc/54/11/29/547541129.db2.gz JLTAHCKSJZDCSN-LJQANCHMSA-N 1 0 361.486 2.035 20 30 FEEDRO N#Cc1ccc(N2CCC[C@@H]([N@@H+]3CCC[C@H](CCC(N)=O)C3)C2=O)cc1 ZINC000182738917 547544338 /nfs/dbraw/zinc/54/43/38/547544338.db2.gz FKISOTVOHCMGHI-SJLPKXTDSA-N 1 0 354.454 2.031 20 30 FEEDRO CC1(C)CC[N@H+](CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)C1 ZINC000182803186 547554256 /nfs/dbraw/zinc/55/42/56/547554256.db2.gz BGOXJCFUELFWDU-GOSISDBHSA-N 1 0 358.461 2.266 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)CC1 ZINC000182897313 547568244 /nfs/dbraw/zinc/56/82/44/547568244.db2.gz HNSDBGGJQHDOQL-HNNXBMFYSA-N 1 0 368.403 2.411 20 30 FEEDRO C=CC[C@@H](CO)NC(=O)NCCCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000183079666 547598261 /nfs/dbraw/zinc/59/82/61/547598261.db2.gz FLBBZGQGKIBZQK-IBGZPJMESA-N 1 0 374.529 2.133 20 30 FEEDRO COCc1noc(CON=C(N)c2cccc(C[NH+]3CCCCC3)c2)n1 ZINC000183174810 547615778 /nfs/dbraw/zinc/61/57/78/547615778.db2.gz OUSMWHUHDOCTHX-UHFFFAOYSA-N 1 0 359.430 2.039 20 30 FEEDRO CC(C)([C@H]([NH2+]CC(=O)NCC#N)c1ccc(F)c(F)c1)N1CCCC1 ZINC000484531056 561299229 /nfs/dbraw/zinc/29/92/29/561299229.db2.gz GIOCIESPRSIZHG-QGZVFWFLSA-N 1 0 350.413 2.110 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)[C@@H]2CC(=O)N(c3ccc(F)c(C)c3)C2)CC1 ZINC000183677311 547700522 /nfs/dbraw/zinc/70/05/22/547700522.db2.gz LDFVKFMUSRXMAB-OAHLLOKOSA-N 1 0 359.445 2.254 20 30 FEEDRO C[C@@H](NC(=O)Nc1cnn(-c2ncccc2C#N)c1)C(C)(C)C[NH+](C)C ZINC000184585373 547849940 /nfs/dbraw/zinc/84/99/40/547849940.db2.gz AITWXBJMQFWMLH-CYBMUJFWSA-N 1 0 355.446 2.237 20 30 FEEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)CCCCc3c[nH]nn3)CC2)cc1 ZINC000184615524 547854193 /nfs/dbraw/zinc/85/41/93/547854193.db2.gz ZEORGXGGWUMFIF-UHFFFAOYSA-N 1 0 366.469 2.124 20 30 FEEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cnn(-c3ncccc3C#N)c2)[C@H](C)C1 ZINC000184626618 547856524 /nfs/dbraw/zinc/85/65/24/547856524.db2.gz CIAWMWQPOSYHNH-RHSMWYFYSA-N 1 0 367.457 2.333 20 30 FEEDRO C=CC[NH+]1CCC(Nc2nc3ccccc3nc2N2CCN(C)CC2)CC1 ZINC000485171739 561314284 /nfs/dbraw/zinc/31/42/84/561314284.db2.gz IUPYFAMNZCGNMJ-UHFFFAOYSA-N 1 0 366.513 2.444 20 30 FEEDRO Cn1cc(C[NH2+]CCCCCS(C)(=O)=O)c(-c2ccc(C#N)cc2)n1 ZINC000185205896 547952074 /nfs/dbraw/zinc/95/20/74/547952074.db2.gz SGFLANQJZJFSAB-UHFFFAOYSA-N 1 0 360.483 2.263 20 30 FEEDRO COC(=O)COc1ccc([C@H](C)[NH2+]C[C@H](O)c2ccc(C#N)cc2)cc1 ZINC000185671539 548018351 /nfs/dbraw/zinc/01/83/51/548018351.db2.gz GNBBIMKFOVFWPJ-LIRRHRJNSA-N 1 0 354.406 2.494 20 30 FEEDRO C=CCc1cc(C[NH2+][C@@H]2CCOC[C@@H]2OCCOC)cc(OC)c1O ZINC000485724318 561326630 /nfs/dbraw/zinc/32/66/30/561326630.db2.gz JPLLNVOAWKBBBX-AEFFLSMTSA-N 1 0 351.443 2.039 20 30 FEEDRO COc1ccc(CNC(=[NH2+])NCC[C@](C)(O)c2ccccc2)cc1OC ZINC000186890261 548213007 /nfs/dbraw/zinc/21/30/07/548213007.db2.gz BWUKRQLQAICOGA-FQEVSTJZSA-N 1 0 357.454 2.406 20 30 FEEDRO C=CCn1c(SCCN2CCOC[C@H]2C)nc2sccc2c1=O ZINC000188230927 548275554 /nfs/dbraw/zinc/27/55/54/548275554.db2.gz GWRJOOUCIJVSJU-GFCCVEGCSA-N 1 0 351.497 2.457 20 30 FEEDRO C[N@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)CC1(O)CCOCC1 ZINC000189750291 548311119 /nfs/dbraw/zinc/31/11/19/548311119.db2.gz HCKXOYISJKNKNO-UHFFFAOYSA-N 1 0 365.861 2.060 20 30 FEEDRO CCN(CCC#N)C(=O)CNC1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000189955513 548314990 /nfs/dbraw/zinc/31/49/90/548314990.db2.gz AWMMNZZDUBSOII-ROUUACIJSA-N 1 0 356.514 2.495 20 30 FEEDRO CCc1nc(C2CCN(CC(=O)N(CCC#N)c3ccccc3)CC2)n[nH]1 ZINC000190683064 548332109 /nfs/dbraw/zinc/33/21/09/548332109.db2.gz IKAKXYJZYSVLOT-UHFFFAOYSA-N 1 0 366.469 2.493 20 30 FEEDRO C=CCN(CCOC)CC(=O)NC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000191085680 548339969 /nfs/dbraw/zinc/33/99/69/548339969.db2.gz OOJMDOAVUYRGRK-UHFFFAOYSA-N 1 0 374.481 2.478 20 30 FEEDRO C=CCNC(=O)[C@H](C)N1CCC(c2nc(C(=O)OCC)cs2)CC1 ZINC000191573938 548347823 /nfs/dbraw/zinc/34/78/23/548347823.db2.gz IUMNORPBIMPRNM-LBPRGKRZSA-N 1 0 351.472 2.190 20 30 FEEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 ZINC000192108504 548357999 /nfs/dbraw/zinc/35/79/99/548357999.db2.gz FIOAXTQUGUZWTI-NZVBXONLSA-N 1 0 369.824 2.299 20 30 FEEDRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CNc2ccc(C#N)cc2Cl)C1 ZINC000486548686 561350440 /nfs/dbraw/zinc/35/04/40/561350440.db2.gz KLQHUKGCBJWPQD-OAHLLOKOSA-N 1 0 364.877 2.097 20 30 FEEDRO CCOC(=O)[C@]1(C(C)C)CC[N@H+](C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000194859035 548541278 /nfs/dbraw/zinc/54/12/78/548541278.db2.gz ANIBDNZSHUZALP-FXAWDEMLSA-N 1 0 360.454 2.209 20 30 FEEDRO CC(C)COC[C@@H](O)C[NH+]1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000195422025 548637274 /nfs/dbraw/zinc/63/72/74/548637274.db2.gz QDJMIGHBRSYTNS-SFHVURJKSA-N 1 0 368.481 2.262 20 30 FEEDRO CCOC1CC(C[NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)(N2CCOCC2)C1 ZINC000195460146 548643444 /nfs/dbraw/zinc/64/34/44/548643444.db2.gz COHHLRCJNRDUFB-RPCJCACASA-N 1 0 373.497 2.337 20 30 FEEDRO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CCC[C@@H](CCC(N)=O)C1 ZINC000245393511 548906146 /nfs/dbraw/zinc/90/61/46/548906146.db2.gz DDGWHXSZJNMGQQ-RXCRORICSA-N 1 0 362.518 2.283 20 30 FEEDRO COc1cc(C#N)ccc1OCC[N@@H+]1CC[C@@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000245609049 548957568 /nfs/dbraw/zinc/95/75/68/548957568.db2.gz KWBPTZWCILVFAH-FUHWJXTLSA-N 1 0 369.465 2.421 20 30 FEEDRO C[C@H](C1CC1)[N@H+](C)CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000245843333 549002551 /nfs/dbraw/zinc/00/25/51/549002551.db2.gz DEEPZBNWZHCSCZ-DNVCBOLYSA-N 1 0 358.461 2.265 20 30 FEEDRO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2Cc3ccccc3C[C@@H]2C)CC1 ZINC000245999420 549033604 /nfs/dbraw/zinc/03/36/04/549033604.db2.gz IWXFMOGNCHWNNT-FXAWDEMLSA-N 1 0 354.498 2.126 20 30 FEEDRO CC(=O)N1CC[C@H](C[N@@H+](C)[C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1 ZINC000246086352 549049122 /nfs/dbraw/zinc/04/91/22/549049122.db2.gz CFTLPDXSNCUGMX-NVXWUHKLSA-N 1 0 374.460 2.261 20 30 FEEDRO C=CCc1ccccc1OC[C@@H](O)CN1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC000488670193 561394315 /nfs/dbraw/zinc/39/43/15/561394315.db2.gz ACKNWRZPFFJRIM-RXVVDRJESA-N 1 0 374.525 2.340 20 30 FEEDRO Cc1oc(NC(=O)[C@@H](C)N2CCC[C@@H](Cn3cncn3)C2)c(C#N)c1C ZINC000247576309 549361318 /nfs/dbraw/zinc/36/13/18/549361318.db2.gz HUZCNWMBOWIVHV-UKRRQHHQSA-N 1 0 356.430 2.099 20 30 FEEDRO C=CCN(CC=C)C(=O)C[NH+]1CCC(C(=O)NCc2ccccc2)CC1 ZINC000248005561 549398824 /nfs/dbraw/zinc/39/88/24/549398824.db2.gz PKGQQUVGXNJSLS-UHFFFAOYSA-N 1 0 355.482 2.215 20 30 FEEDRO CCN(CC(=O)N[C@@](C)(C#N)C1CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000248872463 549518875 /nfs/dbraw/zinc/51/88/75/549518875.db2.gz KTTXIBYVBHUOFX-FPOVZHCZSA-N 1 0 354.498 2.391 20 30 FEEDRO C[NH+](C)CCc1ccc(CNS(=O)(=O)c2ccc(C#N)c(F)c2)cc1 ZINC000489806056 561419490 /nfs/dbraw/zinc/41/94/90/561419490.db2.gz DGGIKTJQSWNPCZ-UHFFFAOYSA-N 1 0 361.442 2.280 20 30 FEEDRO C[NH+]=C(NCc1ccc(-n2nc(C)cc2C)nc1)N(C)Cc1ccon1 ZINC000261732966 549748984 /nfs/dbraw/zinc/74/89/84/549748984.db2.gz JRQRJTWCAONXHU-UHFFFAOYSA-N 1 0 353.430 2.080 20 30 FEEDRO C[NH+]=C(NCc1cn2c(n1)CCCC2)N1CCN(c2cccs2)CC1 ZINC000261767448 549753311 /nfs/dbraw/zinc/75/33/11/549753311.db2.gz NQNNXFKKZKIJAA-UHFFFAOYSA-N 1 0 358.515 2.179 20 30 FEEDRO C[NH+]=C(NCc1cccnc1-n1ccnc1C)N1CCSC(C)(C)C1 ZINC000261958692 549774387 /nfs/dbraw/zinc/77/43/87/549774387.db2.gz OYZOCVVRNFPHOJ-UHFFFAOYSA-N 1 0 358.515 2.479 20 30 FEEDRO CCC(=O)N1CC[C@H](NC(NCc2cc(Br)cs2)=[NH+]C)C1 ZINC000261968792 549775312 /nfs/dbraw/zinc/77/53/12/549775312.db2.gz MDNBFYBATDNRFA-NSHDSACASA-N 1 0 373.320 2.187 20 30 FEEDRO C[C@@H](NC(=[NH2+])NCC1(C(N)=O)CCOCC1)c1ccc(Cl)cc1Cl ZINC000261986295 549776996 /nfs/dbraw/zinc/77/69/96/549776996.db2.gz KBTBHRKMCCIZHH-SNVBAGLBSA-N 1 0 373.284 2.241 20 30 FEEDRO C[C@@H]1CCCN(S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)[C@H]1C[NH3+] ZINC000262023513 549781254 /nfs/dbraw/zinc/78/12/54/549781254.db2.gz IWXPDZNKXAACAY-YGRLFVJLSA-N 1 0 361.389 2.325 20 30 FEEDRO C=CCN(CCc1ccco1)C(=O)[C@@H]1CC(=O)N(C[C@H]2CCC[N@H+]2CC)C1 ZINC000490245536 561429476 /nfs/dbraw/zinc/42/94/76/561429476.db2.gz LPJGFJGDGHAMSU-QZTJIDSGSA-N 1 0 373.497 2.170 20 30 FEEDRO C[C@@H](NC(NC[C@@H]1CCS(=O)(=O)C1)=[NH+]C1CC1)c1ccc(F)c(F)c1 ZINC000262281570 549805509 /nfs/dbraw/zinc/80/55/09/549805509.db2.gz WQAGJAXUYBZHKG-NEPJUHHUSA-N 1 0 371.453 2.158 20 30 FEEDRO C[C@H](NC(NCC(=O)N(C)C)=[NH+][C@H]1CCOC2(CCC2)C1)c1ccccc1 ZINC000262312140 549809261 /nfs/dbraw/zinc/80/92/61/549809261.db2.gz PXNFQNDJWXYNER-WMZOPIPTSA-N 1 0 372.513 2.473 20 30 FEEDRO C[NH+]=C(NC[C@H]1CCS(=O)(=O)C1)N1CC2(CCCC2)c2ccccc21 ZINC000262391566 549816415 /nfs/dbraw/zinc/81/64/15/549816415.db2.gz MGJYIFMNTWMEOD-OAHLLOKOSA-N 1 0 361.511 2.329 20 30 FEEDRO C=C(C)CNC(=[NH2+])NCc1cccc(N2C(=O)NC3(CCCC3)C2=O)c1 ZINC000262407317 549817735 /nfs/dbraw/zinc/81/77/35/549817735.db2.gz WOVXBGLDORXOGX-UHFFFAOYSA-N 1 0 355.442 2.036 20 30 FEEDRO CC[NH+]=C(NCc1c(C)oc2ccccc21)NC[C@@H]1CCS(=O)(=O)C1 ZINC000262418551 549818378 /nfs/dbraw/zinc/81/83/78/549818378.db2.gz QNNSDXHMXGLCGP-AWEZNQCLSA-N 1 0 363.483 2.231 20 30 FEEDRO Cc1cc(CNC(NC[C@H]2CCS(=O)(=O)C2)=[NH+]C(C)C)ccc1F ZINC000262440050 549820081 /nfs/dbraw/zinc/82/00/81/549820081.db2.gz UMQWAZCROYFUGB-OAHLLOKOSA-N 1 0 355.479 2.012 20 30 FEEDRO O=S1(=O)CC[C@H](CNC(=[NH+]C2CC2)N2CC[C@@H](c3ccccc3)C2)C1 ZINC000262448797 549820399 /nfs/dbraw/zinc/82/03/99/549820399.db2.gz VRIWLBWJXMTVPI-NVXWUHKLSA-N 1 0 361.511 2.019 20 30 FEEDRO C[NH+]=C(NCc1nnc2n1CCC2)N1CC[C@@H](CSc2ccccc2)C1 ZINC000262446092 549820475 /nfs/dbraw/zinc/82/04/75/549820475.db2.gz IRWWMCBFNREPNM-OAHLLOKOSA-N 1 0 370.526 2.414 20 30 FEEDRO C[NH+]=C(NCC(=O)N1CCCc2ccccc21)NCc1sc(C)nc1C ZINC000262477364 549823003 /nfs/dbraw/zinc/82/30/03/549823003.db2.gz ZYAZGGDLOLTPQM-UHFFFAOYSA-N 1 0 371.510 2.404 20 30 FEEDRO [NH2+]=C(NCc1ccccc1N1CCOCC1)N[C@H]1CCOc2ccccc21 ZINC000262532395 549826261 /nfs/dbraw/zinc/82/62/61/549826261.db2.gz PUPFUULJKQWUBH-SFHVURJKSA-N 1 0 366.465 2.451 20 30 FEEDRO Cc1ccc(SCCNC(=[NH2+])N2CCN(c3ncccn3)CC2)cc1 ZINC000263253943 549889566 /nfs/dbraw/zinc/88/95/66/549889566.db2.gz PYTYRQLICMZNQP-UHFFFAOYSA-N 1 0 356.499 2.014 20 30 FEEDRO CCOCCC[NH+]=C(NCc1cnn(C)c1)NCc1ccc(OC)cc1 ZINC000263978364 549962622 /nfs/dbraw/zinc/96/26/22/549962622.db2.gz QIJWNCBJZGZDQH-UHFFFAOYSA-N 1 0 359.474 2.091 20 30 FEEDRO COc1ccc(CNC(=[NH2+])NCCc2ccc(OC)c(OC)c2)c(OC)c1 ZINC000264089005 549977805 /nfs/dbraw/zinc/97/78/05/549977805.db2.gz KOJICHWQLFHTSH-UHFFFAOYSA-N 1 0 373.453 2.368 20 30 FEEDRO CCNC(=O)c1cccc(CNC(=[NH2+])Nc2ccc(OC)c(OC)c2)c1 ZINC000264114869 549980467 /nfs/dbraw/zinc/98/04/67/549980467.db2.gz SCPYSPLJNOTFQU-UHFFFAOYSA-N 1 0 356.426 2.380 20 30 FEEDRO CCOCc1ccc(CNC(=[NH2+])NC2CCN(C(=O)OCC)CC2)cc1 ZINC000264121619 549981326 /nfs/dbraw/zinc/98/13/26/549981326.db2.gz VDNSIOCUSUPUEP-UHFFFAOYSA-N 1 0 362.474 2.248 20 30 FEEDRO C=CCNC(=[NH2+])NCc1ccnc(N2CCN(c3ccc(F)cc3)CC2)c1 ZINC000264129284 549982497 /nfs/dbraw/zinc/98/24/97/549982497.db2.gz XMJYIMUUPRERHX-UHFFFAOYSA-N 1 0 368.460 2.138 20 30 FEEDRO COc1ccc(NC(=[NH2+])NCCOc2ccc3c(c2)OCO3)cc1OC ZINC000264128365 549982614 /nfs/dbraw/zinc/98/26/14/549982614.db2.gz XBLVYJVECXMLDU-UHFFFAOYSA-N 1 0 359.382 2.238 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)[C@H]2CC(=O)N(Cc3ccc(C)cc3)C2)CC1 ZINC000264492323 549996867 /nfs/dbraw/zinc/99/68/67/549996867.db2.gz OFKAVOHDFRBCED-SFHVURJKSA-N 1 0 355.482 2.110 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CCN(c3ccc(F)cc3)C2=O)CC1 ZINC000264517296 549997191 /nfs/dbraw/zinc/99/71/91/549997191.db2.gz VMERXKJGVFTGGN-SFHVURJKSA-N 1 0 359.445 2.335 20 30 FEEDRO C#CCOc1cccc(NC(=O)C(=O)NCCCCCCC[NH+](C)C)c1 ZINC000264756804 550000797 /nfs/dbraw/zinc/00/07/97/550000797.db2.gz PEUMHDRUPKZQGI-UHFFFAOYSA-N 1 0 359.470 2.265 20 30 FEEDRO C[NH+]=C(NCCC(=O)N(C)Cc1ccccc1Br)NC1CC1 ZINC000264853262 550002083 /nfs/dbraw/zinc/00/20/83/550002083.db2.gz OXFBIMLQZKEVDR-UHFFFAOYSA-N 1 0 367.291 2.125 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[S@](=O)[C@H](C)[C@@H]1C)C(C)C ZINC000265536517 550011318 /nfs/dbraw/zinc/01/13/18/550011318.db2.gz DSXPDIJRIQYFPQ-CJOFEGAYSA-N 1 0 355.548 2.236 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCC(CC(=O)NC)CC1)C(C)C ZINC000266843072 550024407 /nfs/dbraw/zinc/02/44/07/550024407.db2.gz IOCOWUGWSZBQJQ-SFHVURJKSA-N 1 0 364.534 2.243 20 30 FEEDRO Cc1cccc(CNC(=O)CON=C(N)c2ccc(C[NH+](C)C)cc2)c1 ZINC000267004337 550026377 /nfs/dbraw/zinc/02/63/77/550026377.db2.gz IUKUCADGRKOBSH-UHFFFAOYSA-N 1 0 354.454 2.010 20 30 FEEDRO CCOC(=O)N1CCC(NC(=[NH2+])NCc2ccc(N3CC=CC3)cc2)CC1 ZINC000267429192 550031572 /nfs/dbraw/zinc/03/15/72/550031572.db2.gz MEEVWNVMTXZFGA-UHFFFAOYSA-N 1 0 371.485 2.088 20 30 FEEDRO CC(C)OCCOC[C@@H](O)C[N@H+](C)CCCOc1cccc(C#N)c1 ZINC000268642425 550098200 /nfs/dbraw/zinc/09/82/00/550098200.db2.gz DVAGGDODQHNQKL-SFHVURJKSA-N 1 0 350.459 2.061 20 30 FEEDRO COc1ccc(C#N)cc1NC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000269100052 550155035 /nfs/dbraw/zinc/15/50/35/550155035.db2.gz FUFNXXLTFHZQCM-MSOLQXFVSA-N 1 0 372.469 2.456 20 30 FEEDRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)N1CCc2ccc(C#N)cc21 ZINC000270145186 550251811 /nfs/dbraw/zinc/25/18/11/550251811.db2.gz FFQGDYWYEWVUNG-INIZCTEOSA-N 1 0 368.481 2.218 20 30 FEEDRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)c2ccc(CC#N)cc2)CC1 ZINC000270356626 550264670 /nfs/dbraw/zinc/26/46/70/550264670.db2.gz QEDLMDGYXDOKIB-HDICACEKSA-N 1 0 354.498 2.383 20 30 FEEDRO C#CC[C@@H](NC(=O)N1CC[C@H](N2CC[NH+](CC)CC2)C1)c1ccccc1 ZINC000270375324 550266733 /nfs/dbraw/zinc/26/67/33/550266733.db2.gz UVDIYLTVVFDEDH-VQTJNVASSA-N 1 0 354.498 2.172 20 30 FEEDRO C#CC[C@H](NC(=O)NC[C@@H](C)C[NH+]1CCN(CC)CC1)c1ccccc1 ZINC000270478425 550276133 /nfs/dbraw/zinc/27/61/33/550276133.db2.gz WFMNZWNDEOLZNT-QUCCMNQESA-N 1 0 356.514 2.324 20 30 FEEDRO COc1ccc(C[N@H+](C)CCC(=O)N(C)CCC#N)cc1OC(F)F ZINC000270619618 550289891 /nfs/dbraw/zinc/28/98/91/550289891.db2.gz DDNOAVYXVUAYNI-UHFFFAOYSA-N 1 0 355.385 2.491 20 30 FEEDRO C#CCOc1ccc(C(=O)N2CCC(N3CC[NH+](C(C)C)CC3)CC2)cc1 ZINC000270831867 550311636 /nfs/dbraw/zinc/31/16/36/550311636.db2.gz CTULEDNENSZWOH-UHFFFAOYSA-N 1 0 369.509 2.329 20 30 FEEDRO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[NH+]1CCC(CCC(N)=O)CC1 ZINC000271086246 550338764 /nfs/dbraw/zinc/33/87/64/550338764.db2.gz GKNGYDJQUROEQK-OAHLLOKOSA-N 1 0 374.460 2.438 20 30 FEEDRO CCOc1ccc([C@H](C)[NH2+]CCNC(=O)C2N=CC=CC2=O)cc1[N+](=O)[O-] ZINC000271432242 550374822 /nfs/dbraw/zinc/37/48/22/550374822.db2.gz DYUUHILFOUAEDK-GHXQLAGASA-N 1 0 374.397 2.171 20 30 FEEDRO COc1cc(C)c([C@@H](C)[NH2+]CCNC(=O)C2N=CC=CC2=O)cc1OC ZINC000271514002 550381497 /nfs/dbraw/zinc/38/14/97/550381497.db2.gz SZAJINRXVJDEFS-LTFJSZEESA-N 1 0 359.426 2.189 20 30 FEEDRO C#CC[C@@H]([NH2+]CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1)c1ccccc1 ZINC000271716474 550396997 /nfs/dbraw/zinc/39/69/97/550396997.db2.gz PEDRDDYZCGDTCY-UXHICEINSA-N 1 0 352.482 2.033 20 30 FEEDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)CCC(=O)N(CCC#N)c3ccccc3)[C@H]2C1 ZINC000272455895 550450048 /nfs/dbraw/zinc/45/00/48/550450048.db2.gz JYMAXLAEAXAMSJ-MJGOQNOKSA-N 1 0 368.481 2.266 20 30 FEEDRO C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000272639326 550462340 /nfs/dbraw/zinc/46/23/40/550462340.db2.gz ZXLMSSMHYSSMAA-CVEARBPZSA-N 1 0 370.453 2.003 20 30 FEEDRO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@@H](CO)c1ccc(Br)cc1 ZINC000273097528 550484820 /nfs/dbraw/zinc/48/48/20/550484820.db2.gz LFHOHCVEXYQULE-WFASDCNBSA-N 1 0 368.275 2.080 20 30 FEEDRO C[N@H+]1CC=C(CNS(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)CC1 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FEEDRO C=CCC[N@@H+](C)CC(=O)N(CCOC)CC(=O)Nc1c(C)cccc1C ZINC000276417726 550578555 /nfs/dbraw/zinc/57/85/55/550578555.db2.gz MHOLAJTZNVFTDE-UHFFFAOYSA-N 1 0 361.486 2.225 20 30 FEEDRO N#Cc1ccc(OC[C@@H](O)C[NH+]2CCC(Oc3ncccc3F)CC2)cc1 ZINC000278257824 550766087 /nfs/dbraw/zinc/76/60/87/550766087.db2.gz IBEOYIOYMDFKNN-INIZCTEOSA-N 1 0 371.412 2.375 20 30 FEEDRO COc1ccc(C#N)cc1NC(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC000278306360 550770994 /nfs/dbraw/zinc/77/09/94/550770994.db2.gz ARXHBNXAZPVSCJ-AWEZNQCLSA-N 1 0 358.442 2.284 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)Cc1cccc(N2CCCC2=O)c1 ZINC000278479970 550790797 /nfs/dbraw/zinc/79/07/97/550790797.db2.gz RUCNVDZMHBXQPK-UHFFFAOYSA-N 1 0 356.470 2.050 20 30 FEEDRO C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000278668209 550809709 /nfs/dbraw/zinc/80/97/09/550809709.db2.gz NVVDKOGVWRAFDM-BEFAXECRSA-N 1 0 350.470 2.431 20 30 FEEDRO C#CCn1ccc(CN(CC)C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)n1 ZINC000279285585 550873571 /nfs/dbraw/zinc/87/35/71/550873571.db2.gz UIXGEOVMZDFPBB-KRWDZBQOSA-N 1 0 359.499 2.412 20 30 FEEDRO COC(=O)C[C@@H](C)N1CCN(C(=O)c2ccc(C(C)(C)C#N)cc2)CC1 ZINC000279716045 550920295 /nfs/dbraw/zinc/92/02/95/550920295.db2.gz BFTLJKLZWVNNAI-OAHLLOKOSA-N 1 0 357.454 2.197 20 30 FEEDRO C[C@H]1OCC[C@@]12CN([C@@H]1CCCN(c3ccc(C#N)cc3)C1=O)C[C@@H](C)O2 ZINC000279782097 550928007 /nfs/dbraw/zinc/92/80/07/550928007.db2.gz NRXAYAHBWMJKJL-NVEXJGOOSA-N 1 0 369.465 2.322 20 30 FEEDRO C=C(C)CN(Cc1ccccc1)C(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000279809896 550931534 /nfs/dbraw/zinc/93/15/34/550931534.db2.gz FQHCWJMQJPLREM-GOSISDBHSA-N 1 0 358.486 2.114 20 30 FEEDRO C[C@H](O)C[C@@H]1CCCCN1CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000279829202 550933576 /nfs/dbraw/zinc/93/35/76/550933576.db2.gz QYXJDRBQKCQACI-OFQRWUPVSA-N 1 0 368.437 2.137 20 30 FEEDRO Cc1nc(C#N)c(N2CCC(C(=O)N3CCC[N@@H+](C(C)C)CC3)CC2)o1 ZINC000280182268 550968731 /nfs/dbraw/zinc/96/87/31/550968731.db2.gz GVZKDNXXBBZWRA-UHFFFAOYSA-N 1 0 359.474 2.014 20 30 FEEDRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000280408076 550990381 /nfs/dbraw/zinc/99/03/81/550990381.db2.gz YHWBFFOMVNEBES-SFHVURJKSA-N 1 0 370.497 2.160 20 30 FEEDRO Cc1oc(C#N)cc1C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000280840973 551037758 /nfs/dbraw/zinc/03/77/58/551037758.db2.gz XJGZJWDZSNBDSV-OAHLLOKOSA-N 1 0 366.421 2.409 20 30 FEEDRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000281027814 551056053 /nfs/dbraw/zinc/05/60/53/551056053.db2.gz ZXXXNMDNTZHNFM-HNNXBMFYSA-N 1 0 374.510 2.380 20 30 FEEDRO N#Cc1cnc2c(F)c(F)c(F)cc2c1N1CCC[N@@H+](CCO)CC1 ZINC000281084178 551061611 /nfs/dbraw/zinc/06/16/11/551061611.db2.gz CDWHYQQYWZULOU-UHFFFAOYSA-N 1 0 350.344 2.028 20 30 FEEDRO Cc1nn(CCS(C)(=O)=O)c(C)c1C[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000281229633 551076140 /nfs/dbraw/zinc/07/61/40/551076140.db2.gz HSHKSPURUSYSHG-ZDUSSCGKSA-N 1 0 360.483 2.267 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCC[C@@H]2[C@@H]2CCCC[C@H]2O)cc1 ZINC000281534156 551110038 /nfs/dbraw/zinc/11/00/38/551110038.db2.gz WKRRNYDAOVGVLV-IPMKNSEASA-N 1 0 362.495 2.347 20 30 FEEDRO CN(CCC[NH+]1CCCC1)C(=O)C(=O)Nc1cccc(OCCCC#N)c1 ZINC000281579122 551115817 /nfs/dbraw/zinc/11/58/17/551115817.db2.gz XZDDVRUSTDQECT-UHFFFAOYSA-N 1 0 372.469 2.252 20 30 FEEDRO C=CCN1CC[C@@H](N(C)C(=O)c2ccc(OCC[NH+](CC)CC)cc2)C1=O ZINC000281700347 551132498 /nfs/dbraw/zinc/13/24/98/551132498.db2.gz LZOFHGYOHGYUML-LJQANCHMSA-N 1 0 373.497 2.266 20 30 FEEDRO CC[N@H+](CCOCCO)[C@@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000281883164 551152658 /nfs/dbraw/zinc/15/26/58/551152658.db2.gz ALAUBNOVSZUVJX-SFHVURJKSA-N 1 0 361.486 2.269 20 30 FEEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000282039250 551172626 /nfs/dbraw/zinc/17/26/26/551172626.db2.gz UOCGLDIQMDTRPZ-UHFFFAOYSA-N 1 0 369.513 2.282 20 30 FEEDRO C=CCn1c(-c2ccccc2F)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000282192336 551193149 /nfs/dbraw/zinc/19/31/49/551193149.db2.gz GHCNEMLMQIGSQH-MRXNPFEDSA-N 1 0 371.460 2.429 20 30 FEEDRO CC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)[C@H]1CCNC1=O ZINC000282278592 551205338 /nfs/dbraw/zinc/20/53/38/551205338.db2.gz IBRUPAMQDLUFGP-AWEZNQCLSA-N 1 0 360.483 2.038 20 30 FEEDRO C=CCn1c(-c2cnn(C)c2)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000282297515 551208042 /nfs/dbraw/zinc/20/80/42/551208042.db2.gz OJYMNROUYMPHIK-INIZCTEOSA-N 1 0 355.490 2.177 20 30 FEEDRO C=CCn1c(Cn2nc(C)cc2C)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC000282348458 551215128 /nfs/dbraw/zinc/21/51/28/551215128.db2.gz SEGPURDYQKOADR-UHFFFAOYSA-N 1 0 357.506 2.293 20 30 FEEDRO C#CCOc1ccc(C[NH+]2CCC(S(=O)(=O)N3CCCC3)CC2)cc1 ZINC000282826471 551274736 /nfs/dbraw/zinc/27/47/36/551274736.db2.gz UNZBNOYGJHYPKC-UHFFFAOYSA-N 1 0 362.495 2.089 20 30 FEEDRO C#Cc1cc(F)c(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](CC)C[C@H]2C)c(F)c1 ZINC000283403981 551360562 /nfs/dbraw/zinc/36/05/62/551360562.db2.gz WRCMMEDYMMVUKJ-WBMJQRKESA-N 1 0 363.408 2.073 20 30 FEEDRO N#Cc1ccc(CN2CCC([NH2+][C@@H]3CCC(=O)NC34CCC4)CC2)cc1 ZINC000283503102 551377757 /nfs/dbraw/zinc/37/77/57/551377757.db2.gz YXCLPPPMBLCHRU-LJQANCHMSA-N 1 0 352.482 2.314 20 30 FEEDRO CCN(CCC[NH+](CC)CC)C(=O)C(=O)N[C@H](C)c1ccc(C#N)cc1 ZINC000283506721 551378600 /nfs/dbraw/zinc/37/86/00/551378600.db2.gz BGGFIFUWURPIIA-MRXNPFEDSA-N 1 0 358.486 2.316 20 30 FEEDRO CN1CC[C@H]([NH2+]C[C@@H](O)COc2ccc(C#N)cc2)[C@@H]1c1ccccc1 ZINC000283835782 551435210 /nfs/dbraw/zinc/43/52/10/551435210.db2.gz CGKREOSARYHPHX-GIVPXCGWSA-N 1 0 351.450 2.333 20 30 FEEDRO CN1CCO[C@@H]2CCN(Cc3cn(CCC#N)nc3-c3ccccc3)C[C@H]21 ZINC000284233165 551506471 /nfs/dbraw/zinc/50/64/71/551506471.db2.gz DPKYMUQDNHAIDR-WOJBJXKFSA-N 1 0 365.481 2.369 20 30 FEEDRO COC(=O)c1cc(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)c[nH]1 ZINC000498221074 561518983 /nfs/dbraw/zinc/51/89/83/561518983.db2.gz FEGAPVSHZJIINL-UHFFFAOYSA-N 1 0 366.421 2.089 20 30 FEEDRO CC(C)N(Cc1ccc(C#N)cc1)C(=O)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000284454555 551552577 /nfs/dbraw/zinc/55/25/77/551552577.db2.gz QAIVWSZWZAKBGS-UHFFFAOYSA-N 1 0 370.497 2.286 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)Cc2ccccc2C)CC1 ZINC000284862093 551652886 /nfs/dbraw/zinc/65/28/86/551652886.db2.gz DERAEZNKTFCMGR-KRWDZBQOSA-N 1 0 357.498 2.199 20 30 FEEDRO C=CCN1C(=O)c2ccc(C(=O)N3C[C@@H](C)[N@H+](CC)C[C@@H]3C)cc2C1=O ZINC000498585447 561529662 /nfs/dbraw/zinc/52/96/62/561529662.db2.gz STRXPQFQBUHJQW-KGLIPLIRSA-N 1 0 355.438 2.023 20 30 FEEDRO O=C1CC2(CCCCC2)CC(=O)C1=CNNc1ccc(-n2ccnc2)n[nH+]1 ZINC000285010141 551689213 /nfs/dbraw/zinc/68/92/13/551689213.db2.gz HJPVYTIJXODQAU-UHFFFAOYSA-N 1 0 366.425 2.345 20 30 FEEDRO Cc1c(C)n(Cc2ccco2)c2ncnc(NCCn3cnc(C#N)n3)c12 ZINC000285097142 551703834 /nfs/dbraw/zinc/70/38/34/551703834.db2.gz OKNWPEBOTQRFCU-UHFFFAOYSA-N 1 0 362.397 2.265 20 30 FEEDRO C=C(C)CN(Cc1ccccc1)C(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000285326046 551738621 /nfs/dbraw/zinc/73/86/21/551738621.db2.gz UBOAKRYWWWPVOI-SFHVURJKSA-N 1 0 355.482 2.192 20 30 FEEDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000285381327 551746653 /nfs/dbraw/zinc/74/66/53/551746653.db2.gz RRVNOPPWSFJFAA-AAEUAGOBSA-N 1 0 355.410 2.084 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)c2cccc(OCC)c2)CC1 ZINC000285640774 551787766 /nfs/dbraw/zinc/78/77/66/551787766.db2.gz VHUDGEDBYUOKON-INIZCTEOSA-N 1 0 373.497 2.419 20 30 FEEDRO N#Cc1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)ccc1F ZINC000285875877 551822221 /nfs/dbraw/zinc/82/22/21/551822221.db2.gz WFOPZXWGQNGXSQ-AZUAARDMSA-N 1 0 367.424 2.310 20 30 FEEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000285926038 551828010 /nfs/dbraw/zinc/82/80/10/551828010.db2.gz TXYFMJFHGBDDFA-BBRMVZONSA-N 1 0 356.470 2.294 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cnn(CC(C)C)c2C2CC2)CC1 ZINC000499080466 561542697 /nfs/dbraw/zinc/54/26/97/561542697.db2.gz YACAECXCGFPBLN-UHFFFAOYSA-N 1 0 373.501 2.122 20 30 FEEDRO Cc1ccc(C#N)c(N2CCC(C(=O)NCCC[NH+]3CCCCC3)CC2)n1 ZINC000286258697 551866539 /nfs/dbraw/zinc/86/65/39/551866539.db2.gz MZNOUSMIAMTVCB-UHFFFAOYSA-N 1 0 369.513 2.470 20 30 FEEDRO N#Cc1ccc(N2CC[C@H](C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@@H]34)C2)c(F)c1 ZINC000286321538 551873853 /nfs/dbraw/zinc/87/38/53/551873853.db2.gz HNYJPKLATMMRCI-WDYCEAGBSA-N 1 0 356.445 2.267 20 30 FEEDRO C[C@@H]1C[C@@H](N(C)C(=O)C(=O)NCCCCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000286363170 551878736 /nfs/dbraw/zinc/87/87/36/551878736.db2.gz CNGDKHZVZXXILS-MJGOQNOKSA-N 1 0 370.497 2.308 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCC(C)(C)c2cccs2)CC1 ZINC000286397190 551883303 /nfs/dbraw/zinc/88/33/03/551883303.db2.gz DOCNJJGJKHXVHJ-UHFFFAOYSA-N 1 0 363.527 2.299 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H](c2ccccc2C)C2CC2)CC1 ZINC000286468620 551889082 /nfs/dbraw/zinc/88/90/82/551889082.db2.gz IMXDOCXSQOVCLS-LJQANCHMSA-N 1 0 355.482 2.329 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N2Cc3ccccc3C[C@H]2CC)CC1 ZINC000286510763 551894524 /nfs/dbraw/zinc/89/45/24/551894524.db2.gz KXUZKQHUEHBKKM-LJQANCHMSA-N 1 0 355.482 2.117 20 30 FEEDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)NCc2cccc(C#N)c2)C1 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357.498 2.294 20 30 FEEDRO C=C(C)Cn1c(C(=O)NC(C)C)nnc1N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC000295938873 553078138 /nfs/dbraw/zinc/07/81/38/553078138.db2.gz JFVSASWEHDOTCZ-INIZCTEOSA-N 1 0 374.533 2.303 20 30 FEEDRO C=CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[NH+]([C@H](C)CC)CC1 ZINC000296024968 553091387 /nfs/dbraw/zinc/09/13/87/553091387.db2.gz SERTUPXZSUQEIR-OAHLLOKOSA-N 1 0 369.473 2.032 20 30 FEEDRO CO[C@@H]1[C@@H](C)[C@@H]([NH2+]CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1(C)C ZINC000296159686 553114283 /nfs/dbraw/zinc/11/42/83/553114283.db2.gz UMKGZTQMTWAKAA-MORSLUCNSA-N 1 0 367.453 2.332 20 30 FEEDRO N#Cc1ccc(Cl)c(NC(=O)C(=O)NC2CC[NH+](C3CCC3)CC2)c1 ZINC000296181429 553117668 /nfs/dbraw/zinc/11/76/68/553117668.db2.gz MYQMTJLWJAYOBA-UHFFFAOYSA-N 1 0 360.845 2.283 20 30 FEEDRO C[C@H]1CN(C(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)CC[N@@H+](C2CC2)C1 ZINC000296224201 553125462 /nfs/dbraw/zinc/12/54/62/553125462.db2.gz MZQTYBRENVROCT-GFCCVEGCSA-N 1 0 360.845 2.093 20 30 FEEDRO N#CC[C@@H]1CC[C@H](NC(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000296432993 553158939 /nfs/dbraw/zinc/15/89/39/553158939.db2.gz UBYUHBUDKCPYEJ-ICSRJNTNSA-N 1 0 369.513 2.186 20 30 FEEDRO C#Cc1ccc(CNC(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000296554196 553178736 /nfs/dbraw/zinc/17/87/36/553178736.db2.gz FSKBVKBSPVWWPC-OAQYLSRUSA-N 1 0 363.461 2.234 20 30 FEEDRO C#CC[N@@H+](C)CCCNC(=O)N(CC)CC1CCN(c2ccccn2)CC1 ZINC000296744692 553206003 /nfs/dbraw/zinc/20/60/03/553206003.db2.gz DSVLJYSHYMGYCC-UHFFFAOYSA-N 1 0 371.529 2.285 20 30 FEEDRO C[N@H+](CCCOc1cccc(C#N)c1)C[C@@H](O)CNC(=O)OC(C)(C)C ZINC000296817471 553215614 /nfs/dbraw/zinc/21/56/14/553215614.db2.gz RRVYQBYIBCILKY-INIZCTEOSA-N 1 0 363.458 2.145 20 30 FEEDRO N#Cc1cc(F)ccc1CS(=O)(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000296945345 553233219 /nfs/dbraw/zinc/23/32/19/553233219.db2.gz XQBVGUQBUNCAOU-QGZVFWFLSA-N 1 0 351.447 2.087 20 30 FEEDRO N#Cc1ccc(N2CCN(C(=O)NCCCCC[NH+]3CCCC3)CC2)nc1 ZINC000297051017 553247095 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COc1ccccc1C[C@@H]1CCC[N@@H+]1CC(=O)N(CCC#N)CCC#N ZINC000299413872 553560249 /nfs/dbraw/zinc/56/02/49/553560249.db2.gz CLJSXQZXVXMEQH-SFHVURJKSA-N 1 0 354.454 2.358 20 30 FEEDRO CCCCNC(=O)[C@@H]1CCC[N@@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000299476135 553568597 /nfs/dbraw/zinc/56/85/97/553568597.db2.gz WZFYFGCROVHACA-IEBWSBKVSA-N 1 0 368.481 2.292 20 30 FEEDRO Cc1csc(=O)n1CC[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000299587498 553585209 /nfs/dbraw/zinc/58/52/09/553585209.db2.gz CRDNYBIDVVTDCF-UHFFFAOYSA-N 1 0 370.478 2.441 20 30 FEEDRO N#Cc1ccnc(NCc2ccc(CN3CCOCC3)cc2)c1[N+](=O)[O-] ZINC000301649351 553668318 /nfs/dbraw/zinc/66/83/18/553668318.db2.gz PDNMZGQBUGFPHF-UHFFFAOYSA-N 1 0 353.382 2.306 20 30 FEEDRO C=CCN1C(=O)N=NC1SCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000504955146 561664529 /nfs/dbraw/zinc/66/45/29/561664529.db2.gz HPIVVSFDMPTZQV-UHFFFAOYSA-N 1 0 359.499 2.474 20 30 FEEDRO N#Cc1c(NCCN2CC[NH+](Cc3ccccc3)CC2)nc2ccccn12 ZINC000302059621 553701125 /nfs/dbraw/zinc/70/11/25/553701125.db2.gz BEXUAGXPZPZWPG-UHFFFAOYSA-N 1 0 360.465 2.436 20 30 FEEDRO CN1CC[NH+](CCCCNc2cc(C#N)c(Br)cn2)CC1 ZINC000603274793 553750723 /nfs/dbraw/zinc/75/07/23/553750723.db2.gz IRHWYFVNLPNYHX-UHFFFAOYSA-N 1 0 352.280 2.155 20 30 FEEDRO C=CCN1C(=O)c2ccc(C(=O)N3CC[C@@]4(C3)CCC[N@@H+](C)C4)cc2C1=O ZINC000505568926 561674264 /nfs/dbraw/zinc/67/42/64/561674264.db2.gz OZOGEONHXYUUHF-NRFANRHFSA-N 1 0 367.449 2.027 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1Cl ZINC000321644700 553767018 /nfs/dbraw/zinc/76/70/18/553767018.db2.gz BJCVXXGFQRWELX-CZUORRHYSA-N 1 0 353.875 2.364 20 30 FEEDRO N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC000327624613 553789929 /nfs/dbraw/zinc/78/99/29/553789929.db2.gz OCLYEGPCMKHZPN-GOEBONIOSA-N 1 0 358.360 2.077 20 30 FEEDRO O=C(NC[C@H]1CCC[N@@H+]1C1CCCCC1)NCC1(N2CCOCC2)CC1 ZINC000328597942 553794900 /nfs/dbraw/zinc/79/49/00/553794900.db2.gz ATSBLUQNVIZRMK-GOSISDBHSA-N 1 0 364.534 2.152 20 30 FEEDRO O=C(NC1CC[NH+](C2CC2)CC1)N[C@H]1CCCN(C2CCCCC2)C1=O ZINC000328609306 553795734 /nfs/dbraw/zinc/79/57/34/553795734.db2.gz MQWNEHQSGARDID-SFHVURJKSA-N 1 0 362.518 2.441 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000328616561 553796696 /nfs/dbraw/zinc/79/66/96/553796696.db2.gz SQSGFYVHWUEOLV-JZXOWHBKSA-N 1 0 351.491 2.067 20 30 FEEDRO CC[N@@H+]1CCC[C@@H](CN(C)C(=O)c2cc(C#N)cn2C)[C@@H]1c1cnn(C)c1 ZINC000328630031 553798840 /nfs/dbraw/zinc/79/88/40/553798840.db2.gz PKDKUQLTBMTOQO-QFBILLFUSA-N 1 0 368.485 2.175 20 30 FEEDRO CC[C@@H]1CN(C(=O)NC[C@H]2CCCn3cc(C)nc32)CC[N@@H+]1CCOC ZINC000328660668 553803802 /nfs/dbraw/zinc/80/38/02/553803802.db2.gz VSYYNTAXJKPDOT-IAGOWNOFSA-N 1 0 363.506 2.026 20 30 FEEDRO C[N@@H+]1CCN(CCNC(=O)CCc2ccc3c(c2)OCCO3)CC1(C)C ZINC000328697449 553808684 /nfs/dbraw/zinc/80/86/84/553808684.db2.gz HECMFKRKAZCXJB-UHFFFAOYSA-N 1 0 361.486 2.373 20 30 FEEDRO C[N@@H+]1CCN(CCNC(=O)CCN2c3ccccc3CCC2=O)CC1(C)C ZINC000328735716 553814635 /nfs/dbraw/zinc/81/46/35/553814635.db2.gz ZEXHQMFIMMNXSM-UHFFFAOYSA-N 1 0 372.513 2.338 20 30 FEEDRO C[C@H](NC(=O)C[N@@H+]1CC[C@@H](C2CCOCC2)C1)C(=O)N1CCCCC1 ZINC000328750435 553816624 /nfs/dbraw/zinc/81/66/24/553816624.db2.gz BZEFVHZDNRUGBA-DOTOQJQBSA-N 1 0 351.491 2.092 20 30 FEEDRO O=C(NC1CC[NH+](C2CCCCC2)CC1)N1CCC(OCCO)CC1 ZINC000328819109 553827383 /nfs/dbraw/zinc/82/73/83/553827383.db2.gz PLUHDCCXHUHVKJ-UHFFFAOYSA-N 1 0 353.507 2.171 20 30 FEEDRO O=C(CN1CCC[C@@H]1[C@H]1COCC[C@H]1O)Nc1nc2c(s1)CCC2 ZINC000328835699 553830280 /nfs/dbraw/zinc/83/02/80/553830280.db2.gz SJJHTLLDIKOBCE-MRVWCRGKSA-N 1 0 351.472 2.082 20 30 FEEDRO O=C(Nc1ccc(Cl)cn1)[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000328855990 553833712 /nfs/dbraw/zinc/83/37/12/553833712.db2.gz XDLXTSKFETVIDC-AWEZNQCLSA-N 1 0 352.866 2.367 20 30 FEEDRO CC(=O)N1CC[C@H](C[N@@H+](C)[C@@H](C)C(=O)Nc2ccc3c(c2)OCCO3)C1 ZINC000328861586 553834333 /nfs/dbraw/zinc/83/43/33/553834333.db2.gz VLWQUURZMCYJOQ-DZGCQCFKSA-N 1 0 361.442 2.235 20 30 FEEDRO C[N@H+](CC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)[C@@H]1CCSC1 ZINC000328896308 553841048 /nfs/dbraw/zinc/84/10/48/553841048.db2.gz BZMGHWUFVVCIKE-MRXNPFEDSA-N 1 0 359.495 2.365 20 30 FEEDRO CCOc1ccc(-n2ncc(C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@@H]34)c2C)nn1 ZINC000328908803 553843201 /nfs/dbraw/zinc/84/32/01/553843201.db2.gz DFIALLMZDFZIIH-CVEARBPZSA-N 1 0 370.457 2.301 20 30 FEEDRO CC(C)(C)N1C[C@H](C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CC1=O ZINC000328921190 553844749 /nfs/dbraw/zinc/84/47/49/553844749.db2.gz CDNMSEIPGAGRAV-OIISXLGYSA-N 1 0 365.518 2.358 20 30 FEEDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C ZINC000505930584 561685578 /nfs/dbraw/zinc/68/55/78/561685578.db2.gz PSSBKGAMPCNLKM-VCBZYWHSSA-N 1 0 351.491 2.485 20 30 FEEDRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCCO[C@H]2c2ccnn2C)C1 ZINC000328953473 553852112 /nfs/dbraw/zinc/85/21/12/553852112.db2.gz MLZUNLXFIHVXGA-LZLYRXPVSA-N 1 0 364.490 2.201 20 30 FEEDRO C[C@@H](C(=O)Nc1nccs1)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000328975998 553856668 /nfs/dbraw/zinc/85/66/68/553856668.db2.gz WHNGOZDELLMCGY-QLFBSQMISA-N 1 0 351.520 2.077 20 30 FEEDRO O=C(NC1CC[NH+](C2CCCC2)CC1)N1CCOC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000328999480 553861888 /nfs/dbraw/zinc/86/18/88/553861888.db2.gz HFNBLDXESUHCQG-OTWHNJEPSA-N 1 0 365.518 2.169 20 30 FEEDRO CC(C)n1nccc1[C@H]1OCC[C@@H]1NC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000329033856 553868557 /nfs/dbraw/zinc/86/85/57/553868557.db2.gz MEGZVTRBWHJFBN-HPFXQQBRSA-N 1 0 361.490 2.424 20 30 FEEDRO CN1CC[C@@H]([NH+]2CCC(NC(=O)c3ccnc(OC4CCC4)c3)CC2)C1=O ZINC000329054471 553872536 /nfs/dbraw/zinc/87/25/36/553872536.db2.gz ANWQHKOXQWHYIO-QGZVFWFLSA-N 1 0 372.469 2.013 20 30 FEEDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N1CCC[C@@H]1[C@@H]1COCC[C@@]1(C)O ZINC000329112903 553882638 /nfs/dbraw/zinc/88/26/38/553882638.db2.gz HGUTXWQUFCGFIY-AJYBTWMASA-N 1 0 367.534 2.417 20 30 FEEDRO CC(=O)N1CCC[C@](O)(C(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)C1 ZINC000329118708 553883596 /nfs/dbraw/zinc/88/35/96/553883596.db2.gz JOAPWEGTTYXHDC-AFMYVXGZSA-N 1 0 365.518 2.359 20 30 FEEDRO CN1CC[C@@H]([NH+]2CCC(NC(=O)c3cccnc3C(F)(F)F)CC2)C1=O ZINC000329157958 553891315 /nfs/dbraw/zinc/89/13/15/553891315.db2.gz DIGYHODMXAMKFT-CYBMUJFWSA-N 1 0 370.375 2.100 20 30 FEEDRO CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(CC(=O)Nc2ccc3c(c2)OCO3)C1 ZINC000329159833 553892359 /nfs/dbraw/zinc/89/23/59/553892359.db2.gz DLKGDPRFPSTOPD-HOTGVXAUSA-N 1 0 361.442 2.188 20 30 FEEDRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CSCN2C(=O)C(C)(C)C)C1 ZINC000329180581 553896850 /nfs/dbraw/zinc/89/68/50/553896850.db2.gz OHUVAOJZNRWHLA-CABCVRRESA-N 1 0 371.547 2.247 20 30 FEEDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)CN1C(=O)NC2(CCCCC2)C1=O ZINC000329186015 553897830 /nfs/dbraw/zinc/89/78/30/553897830.db2.gz GIQJZWGEJKKISZ-AWEZNQCLSA-N 1 0 350.463 2.276 20 30 FEEDRO CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)N[C@@H]2CCO[C@H](C(C)C)C2)C1 ZINC000329185727 553897996 /nfs/dbraw/zinc/89/79/96/553897996.db2.gz ORZRYXCPKHQBSU-OWSLCNJRSA-N 1 0 353.507 2.289 20 30 FEEDRO CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000329194883 553899818 /nfs/dbraw/zinc/89/98/18/553899818.db2.gz UYNKMFOCVGZBLA-GDBMZVCRSA-N 1 0 357.520 2.164 20 30 FEEDRO O=C(NC1CN(C(=O)C2CC[NH+]([C@H]3CCSC3)CC2)C1)C1CCC1 ZINC000329213707 553903732 /nfs/dbraw/zinc/90/37/32/553903732.db2.gz JWJWBXNDVGNVMS-INIZCTEOSA-N 1 0 351.516 2.171 20 30 FEEDRO CC[N@@H+]1C[C@H](C)N(C(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)C[C@@H]1C ZINC000329221447 553905318 /nfs/dbraw/zinc/90/53/18/553905318.db2.gz UURRANMYMQSGTD-ZOBUZTSGSA-N 1 0 358.461 2.465 20 30 FEEDRO C[NH+](C)[C@@]1(CNC(=O)N[C@@H]2CCC(=O)N[C@H]2C(C)(C)C)CCSC1 ZINC000329233325 553907736 /nfs/dbraw/zinc/90/77/36/553907736.db2.gz LWJMBCBBXSSHNP-SUYBPPKGSA-N 1 0 356.536 2.461 20 30 FEEDRO CN1C[C@H](NC(=O)N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)CCC1=O ZINC000329245329 553909720 /nfs/dbraw/zinc/90/97/20/553909720.db2.gz VCRNCVIBBQKPKN-WIYYLYMNSA-N 1 0 370.497 2.119 20 30 FEEDRO CO[C@@H]1CCC[C@@H]1CNC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000329261307 553913070 /nfs/dbraw/zinc/91/30/70/553913070.db2.gz DVEOJFYHAXIBRR-NRSFXHEJSA-N 1 0 353.507 2.073 20 30 FEEDRO O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCOC[C@@H]1[C@H]1CCCO1 ZINC000329271734 553914932 /nfs/dbraw/zinc/91/49/32/553914932.db2.gz JKUJEGLDTCGWMO-VAMGGRTRSA-N 1 0 373.497 2.445 20 30 FEEDRO C[C@H](NC(=O)N1CC[S@](=O)[C@H](C)[C@@H]1C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000329280832 553916464 /nfs/dbraw/zinc/91/64/64/553916464.db2.gz DUFHNDMOGAGOPZ-MMQDRESBSA-N 1 0 355.548 2.395 20 30 FEEDRO CN(C(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC000329288173 553918370 /nfs/dbraw/zinc/91/83/70/553918370.db2.gz MPRMYMIACUEYKP-QFBILLFUSA-N 1 0 356.445 2.076 20 30 FEEDRO CC(C)Cn1ncc2cc(C(=O)N[C@H](C)CN3CC[NH+](C)CC3)cnc21 ZINC000329323803 553925537 /nfs/dbraw/zinc/92/55/37/553925537.db2.gz SDLNSBPYFGTRQU-OAHLLOKOSA-N 1 0 358.490 2.028 20 30 FEEDRO C[C@H](NC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)C(=O)N1CCCC[C@H]1C ZINC000329409993 553941221 /nfs/dbraw/zinc/94/12/21/553941221.db2.gz AGRNZLLNWRKKKI-VPEURPPWSA-N 1 0 350.507 2.247 20 30 FEEDRO C[C@@H]1C(=O)Nc2cc(C(=O)N[C@H](CO)C[NH+]3CCCCC3)ccc2N1C ZINC000329447826 553948390 /nfs/dbraw/zinc/94/83/90/553948390.db2.gz LKVIYYVQAZVDAT-HIFRSBDPSA-N 1 0 360.458 2.264 20 30 FEEDRO CO[C@@H]1CCN(C(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2ccnn2C)[C@H](C)C1 ZINC000329456148 553950233 /nfs/dbraw/zinc/95/02/33/553950233.db2.gz MVDVOOCNXJCSMG-KYHPRHEASA-N 1 0 363.506 2.216 20 30 FEEDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)CNC(=O)c3cc(-c4ccccc4)on3)[C@@H]2C1 ZINC000329459247 553950707 /nfs/dbraw/zinc/95/07/07/553950707.db2.gz ROXSFRLKIWOYTL-RHSMWYFYSA-N 1 0 368.437 2.199 20 30 FEEDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1snnc1C1CC1 ZINC000329558996 553967333 /nfs/dbraw/zinc/96/73/33/553967333.db2.gz IFZZSKDIVJVBLZ-KGLIPLIRSA-N 1 0 350.488 2.488 20 30 FEEDRO Cc1ccc(NC(=O)NC(=O)CN(C)C[C@@H]2CCS(=O)(=O)C2)c(C)c1 ZINC000329566607 553968613 /nfs/dbraw/zinc/96/86/13/553968613.db2.gz KVRVOLFHWNFKSL-AWEZNQCLSA-N 1 0 367.471 2.172 20 30 FEEDRO Cc1ccc(N2CCC[C@H](NC(=O)N3C[C@H]([NH+]4CCCC4)C[C@H]3C)C2)nn1 ZINC000329579063 553970937 /nfs/dbraw/zinc/97/09/37/553970937.db2.gz WMPHCOIHDYVPND-FGTMMUONSA-N 1 0 372.517 2.226 20 30 FEEDRO COCCn1cc2c(n1)[C@H](NC(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C)CCC2 ZINC000329582623 553971905 /nfs/dbraw/zinc/97/19/05/553971905.db2.gz QILXMJWILSJRPM-DJIMGWMZSA-N 1 0 363.506 2.093 20 30 FEEDRO CC(C)CNC(=O)N1CCC[C@H](CC(=O)N(C)[C@H]2C[NH+]3CCC2CC3)C1 ZINC000329593712 553973742 /nfs/dbraw/zinc/97/37/42/553973742.db2.gz USXXOHLVQUAPJE-AEFFLSMTSA-N 1 0 364.534 2.211 20 30 FEEDRO CS[C@@H]1CN(CC(=O)N(C)C2(C#N)CCCCC2)C[C@@H]1[NH+]1CCCC1 ZINC000329617173 553977288 /nfs/dbraw/zinc/97/72/88/553977288.db2.gz QBISQLOKYYXHKF-DLBZAZTESA-N 1 0 364.559 2.183 20 30 FEEDRO C[C@@H](CN1CCCCC1)NC(=O)N1CCS(=O)(=O)C2(CCCCC2)C1 ZINC000329644878 553981592 /nfs/dbraw/zinc/98/15/92/553981592.db2.gz ZIPBWHVVAZIZER-INIZCTEOSA-N 1 0 371.547 2.208 20 30 FEEDRO C[N@@H+]1CCCN(C(=O)c2ccccc2NC(=O)[C@H]2C[C@]23CCOC3)CC1 ZINC000329684688 553988106 /nfs/dbraw/zinc/98/81/06/553988106.db2.gz YFIMAFMFSCETQR-UZLBHIALSA-N 1 0 357.454 2.479 20 30 FEEDRO O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)N1CCC(OCC2CC2)CC1 ZINC000329690634 553990163 /nfs/dbraw/zinc/99/01/63/553990163.db2.gz DCRGCOCKZXRHKS-KRWDZBQOSA-N 1 0 365.518 2.292 20 30 FEEDRO C[C@H](NC(=O)NC[C@@H]1CCCCS1(=O)=O)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000329693100 553990195 /nfs/dbraw/zinc/99/01/95/553990195.db2.gz AVSOWRKBDLAFJP-UXLLHSPISA-N 1 0 371.547 2.110 20 30 FEEDRO C[C@@H](NC(=O)NCCc1csc(N2CCCC2)n1)C1=CC[N@H+](C)CC1 ZINC000329718508 553994815 /nfs/dbraw/zinc/99/48/15/553994815.db2.gz YWRAJAUJUHBAPA-CQSZACIVSA-N 1 0 363.531 2.440 20 30 FEEDRO CC[C@@H]1CN(C(=O)[C@H](C)NC(=O)C2CCCC2)C[C@@H]1N1CCOCC1 ZINC000329744362 553998373 /nfs/dbraw/zinc/99/83/73/553998373.db2.gz QQNWBZRLEZWJRO-UXLLHSPISA-N 1 0 351.491 2.091 20 30 FEEDRO C[C@@H]1CN(C(C)(C)CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C[C@H](C)O1 ZINC000329778132 554004122 /nfs/dbraw/zinc/00/41/22/554004122.db2.gz PTFTVKOQKZYWHZ-NUIAMIPMSA-N 1 0 366.550 2.393 20 30 FEEDRO O=C(NC[C@@H]1CCC[N@@H+]1CC1CCCCC1)N[C@H]1CCCS(=O)(=O)C1 ZINC000329786074 554005221 /nfs/dbraw/zinc/00/52/21/554005221.db2.gz QKAAGZGWMJRDRA-IRXDYDNUSA-N 1 0 371.547 2.112 20 30 FEEDRO Cc1nc(C)c(CNC(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)s1 ZINC000329786404 554005440 /nfs/dbraw/zinc/00/54/40/554005440.db2.gz XWGPRPZOJGDJSV-UHFFFAOYSA-N 1 0 353.536 2.132 20 30 FEEDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)N[C@H]1CC(=O)N(C2CCCCC2)C1 ZINC000329801403 554008492 /nfs/dbraw/zinc/00/84/92/554008492.db2.gz YSLFZGMENVZEAH-WBVHZDCISA-N 1 0 364.534 2.496 20 30 FEEDRO CS(=O)(=O)c1ccc(CNC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)s1 ZINC000329812729 554010250 /nfs/dbraw/zinc/01/02/50/554010250.db2.gz CMIZGGRSBVXZLD-CYBMUJFWSA-N 1 0 371.528 2.126 20 30 FEEDRO O=C(N[C@H]1CC(=O)N(c2ccccc2F)C1)N1CC[NH+](C2CCC2)CC1 ZINC000329822956 554012984 /nfs/dbraw/zinc/01/29/84/554012984.db2.gz QECMYPNJJNFZSC-AWEZNQCLSA-N 1 0 360.433 2.015 20 30 FEEDRO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)Nc1c(-c2cnn(C)c2)nc2ccccn21 ZINC000329859400 554020323 /nfs/dbraw/zinc/02/03/23/554020323.db2.gz WPZKSOZXFMUQCT-KBPBESRZSA-N 1 0 367.457 2.305 20 30 FEEDRO Cc1cc(C(=O)Nc2ccccc2C(=O)N2CCC[N@@H+](C)CC2)cnn1 ZINC000329877977 554023627 /nfs/dbraw/zinc/02/36/27/554023627.db2.gz KAQVOCMEBDYTSV-UHFFFAOYSA-N 1 0 353.426 2.199 20 30 FEEDRO O=C(N[C@@H]1CCC[C@@H]2OCC[C@@H]21)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000329966136 554040347 /nfs/dbraw/zinc/04/03/47/554040347.db2.gz RONZFPXTDKVVDP-QRVBRYPASA-N 1 0 365.518 2.292 20 30 FEEDRO N#Cc1cccc(CS(=O)(=O)N2CCN(Cc3cccs3)CC2)c1 ZINC000507383857 561727317 /nfs/dbraw/zinc/72/73/17/561727317.db2.gz RVFHPJQNTMCRQI-UHFFFAOYSA-N 1 0 361.492 2.267 20 30 FEEDRO Cn1cc([C@@H]2CSCCN2C(=O)NCC2([NH+](C)C)CCCC2)cn1 ZINC000330108090 554065717 /nfs/dbraw/zinc/06/57/17/554065717.db2.gz NBQRIVKAPMANNH-HNNXBMFYSA-N 1 0 351.520 2.298 20 30 FEEDRO CO[C@H]1C[C@H](C(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)N(C(C)=O)C1 ZINC000330155071 554074888 /nfs/dbraw/zinc/07/48/88/554074888.db2.gz YBSMYWJLTHSONI-HUHSQHJXSA-N 1 0 351.491 2.232 20 30 FEEDRO C[C@H](NC(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)[C@@H]1COc2ccccc21 ZINC000330192248 554082025 /nfs/dbraw/zinc/08/20/25/554082025.db2.gz NPPJGDJGJWLGOG-YOEHRIQHSA-N 1 0 369.469 3.040 20 30 FEEDRO Cc1cc(C)cc(OCCNC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)c1 ZINC000330195144 554082590 /nfs/dbraw/zinc/08/25/90/554082590.db2.gz PBRBMVSYCHLZSK-GOSISDBHSA-N 1 0 361.486 2.250 20 30 FEEDRO CC(C)CN1CCN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)[C@H](C)C1=O ZINC000330202065 554084403 /nfs/dbraw/zinc/08/44/03/554084403.db2.gz YVGMVVSDYOKLDP-MGNMYUMUSA-N 1 0 350.507 2.104 20 30 FEEDRO CCO[C@@H]1C[C@H](N(C)C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C1(C)C ZINC000330213968 554087038 /nfs/dbraw/zinc/08/70/38/554087038.db2.gz FTPYEYJQVZZWDH-VSZNYVQBSA-N 1 0 367.534 2.414 20 30 FEEDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)N[C@H]1CCOC2(CCOCC2)C1 ZINC000330217570 554087671 /nfs/dbraw/zinc/08/76/71/554087671.db2.gz IOTSTAJGTAHOGY-IRXDYDNUSA-N 1 0 353.507 2.435 20 30 FEEDRO CC(C)[C@@H]1C[C@H](NC(=O)N2CC[N@@H+](C3CCOCC3)C[C@H]2C)CCO1 ZINC000330228385 554089188 /nfs/dbraw/zinc/08/91/88/554089188.db2.gz PQBAPOUSGJWXQS-NUJGCVRESA-N 1 0 353.507 2.289 20 30 FEEDRO C[NH+]1CCC2(CC1)C[C@@H](NC(=O)Cn1cnc(C#N)n1)c1ccccc1O2 ZINC000330260057 554094821 /nfs/dbraw/zinc/09/48/21/554094821.db2.gz NXFRINHQCCYGBV-OAHLLOKOSA-N 1 0 366.425 2.094 20 30 FEEDRO Cc1cc(CNC(=O)N2CCCC23CC[NH+](C)CC3)nc(N2CCCC2)n1 ZINC000330267133 554096506 /nfs/dbraw/zinc/09/65/06/554096506.db2.gz QILISTRPRBNIIE-UHFFFAOYSA-N 1 0 372.517 2.359 20 30 FEEDRO CS(=O)(=O)[C@@H]1CCCC[C@H]1NC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000330268398 554096753 /nfs/dbraw/zinc/09/67/53/554096753.db2.gz REAYKHRPFIZYBP-GVDBMIGSSA-N 1 0 371.547 2.207 20 30 FEEDRO CCc1nc(C)c(CNC(=O)N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)o1 ZINC000330273591 554097279 /nfs/dbraw/zinc/09/72/79/554097279.db2.gz ZKYKJASDUXZDEO-ZDUSSCGKSA-N 1 0 350.463 2.145 20 30 FEEDRO C[NH+](C)C1(CNC(=O)N[C@@H]2CCOC3(CCOCC3)C2)CCCCC1 ZINC000330298928 554101935 /nfs/dbraw/zinc/10/19/35/554101935.db2.gz HRUPYIAHXZDQQR-MRXNPFEDSA-N 1 0 353.507 2.483 20 30 FEEDRO Cc1c(C(=O)N[C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)cccc1S(N)(=O)=O ZINC000330420209 554119421 /nfs/dbraw/zinc/11/94/21/554119421.db2.gz FKSKRZFTSXOFNE-MGPQQGTHSA-N 1 0 367.515 2.313 20 30 FEEDRO CC[N@H+](CCNC(=O)c1ccc2c(c1)C[C@@H](C)N2S(C)(=O)=O)C(C)C ZINC000330439869 554121970 /nfs/dbraw/zinc/12/19/70/554121970.db2.gz OISSQRIBWXRPCR-CQSZACIVSA-N 1 0 367.515 2.432 20 30 FEEDRO Cc1ccc(C(=O)N2CCSCC2)cc1NC(=O)NC[C@H](C)[NH+](C)C ZINC000330487552 554127879 /nfs/dbraw/zinc/12/78/79/554127879.db2.gz GQQOTXIQSNQCQH-AWEZNQCLSA-N 1 0 364.515 2.460 20 30 FEEDRO CCC(=O)Nc1ccc(C)c(NC(=O)N2CC[N@H+](C[C@H](C)O)C[C@@H]2C)c1 ZINC000330518142 554132452 /nfs/dbraw/zinc/13/24/52/554132452.db2.gz GRZOLHMIJTWUPF-GJZGRUSLSA-N 1 0 362.474 2.276 20 30 FEEDRO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1C[C@H](COCC(=O)N(C)C)OC(C)(C)C1 ZINC000330541249 554135344 /nfs/dbraw/zinc/13/53/44/554135344.db2.gz SKCGLNYPJSJBGL-MAUKXSAKSA-N 1 0 359.470 2.203 20 30 FEEDRO COc1cc(NC(=O)N2CC[N@H+](C[C@H](C)O)C[C@@H]2C)ccc1OC(C)C ZINC000330580426 554140953 /nfs/dbraw/zinc/14/09/53/554140953.db2.gz TYBBGODZWAGODW-GJZGRUSLSA-N 1 0 365.474 2.415 20 30 FEEDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)Cc2cc(C#N)ccc2F)[C@H](C)C1 ZINC000330588413 554142109 /nfs/dbraw/zinc/14/21/09/554142109.db2.gz YUWLLHFCSIUFLW-DYVFJYSZSA-N 1 0 353.463 2.189 20 30 FEEDRO Cc1ccc(F)c(NC(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)c1 ZINC000330679857 554156179 /nfs/dbraw/zinc/15/61/79/554156179.db2.gz YBRUANALZMIGFM-UHFFFAOYSA-N 1 0 350.438 2.403 20 30 FEEDRO CC(C)CNC(=O)NC(=O)CN1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000330771452 554169558 /nfs/dbraw/zinc/16/95/58/554169558.db2.gz CDTXONORBBLSCU-SJORKVTESA-N 1 0 352.523 2.259 20 30 FEEDRO CCCC[N@@H+]1CCCC[C@H]1CNS(=O)(=O)c1cnc(C)c(C#N)c1 ZINC000331135307 554219459 /nfs/dbraw/zinc/21/94/59/554219459.db2.gz KICBKLWYNRURCB-INIZCTEOSA-N 1 0 350.488 2.195 20 30 FEEDRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NCCc1cc(F)c(F)c(F)c1 ZINC000331220096 554232904 /nfs/dbraw/zinc/23/29/04/554232904.db2.gz IYDSHAIGQUNOCL-GFCCVEGCSA-N 1 0 373.419 2.337 20 30 FEEDRO CC(C)c1nn(C)cc1NC(=O)NC[C@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000331245448 554236022 /nfs/dbraw/zinc/23/60/22/554236022.db2.gz PENYFQOVADJFQY-MRXNPFEDSA-N 1 0 350.511 2.141 20 30 FEEDRO C[N@@H+]1CCN(CCNC(=O)Nc2ccc(C(N)=O)cc2F)CC1(C)C ZINC000331264012 554238700 /nfs/dbraw/zinc/23/87/00/554238700.db2.gz GEWGABYWKXTNRG-UHFFFAOYSA-N 1 0 351.426 2.061 20 30 FEEDRO C=CCn1c(-c2ccc[nH]2)nnc1N1CCN(c2cc[nH+]cc2OC)CC1 ZINC000508861714 561775766 /nfs/dbraw/zinc/77/57/66/561775766.db2.gz BNADXPDSGAYOLW-UHFFFAOYSA-N 1 0 365.441 2.189 20 30 FEEDRO Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N3CCC[C@H]3C[NH+](C)C)C2)n1 ZINC000331606532 554293389 /nfs/dbraw/zinc/29/33/89/554293389.db2.gz OQTQTMJJMZSTFR-ROUUACIJSA-N 1 0 355.486 2.031 20 30 FEEDRO CS[C@@H]1CN(C(=O)[C@@H](C)Oc2ccccc2C#N)C[C@H]1[NH+]1CCCC1 ZINC000331611813 554294543 /nfs/dbraw/zinc/29/45/43/554294543.db2.gz WCBDACBWZRQXBZ-QGPMSJSTSA-N 1 0 359.495 2.364 20 30 FEEDRO N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000332222222 554403797 /nfs/dbraw/zinc/40/37/97/554403797.db2.gz AULPOQYXRLCEMT-UONOGXRCSA-N 1 0 373.400 2.482 20 30 FEEDRO CN(C)C1(C#N)CCN(C(=O)NC2CC[NH+](CC3CCCC3)CC2)CC1 ZINC000332494356 554456510 /nfs/dbraw/zinc/45/65/10/554456510.db2.gz GHFPJAUHAHSOLG-UHFFFAOYSA-N 1 0 361.534 2.270 20 30 FEEDRO CO[C@H]1C[C@@H]([N@H+](C)CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC000510084364 561824287 /nfs/dbraw/zinc/82/42/87/561824287.db2.gz IUNQCBDGKWSYQG-IYBDPMFKSA-N 1 0 354.372 2.282 20 30 FEEDRO N#Cc1ccc(N2CCC[C@@H](NC(=O)[C@@H]3CCC[N@@H+]3C3CC3)C2)c(F)c1 ZINC000333000362 554556702 /nfs/dbraw/zinc/55/67/02/554556702.db2.gz JFJYYZDPMAOHKT-BEFAXECRSA-N 1 0 356.445 2.409 20 30 FEEDRO C[N@@H+]1CC[C@@H]2CN(CCC(=O)Nc3sc4c(c3C#N)CCCC4)C[C@@H]21 ZINC000333060898 554566210 /nfs/dbraw/zinc/56/62/10/554566210.db2.gz IHTRFGPQQAFDNA-CJNGLKHVSA-N 1 0 358.511 2.463 20 30 FEEDRO CS[C@H]1CN(S(=O)(=O)CC2(C#N)CCCCC2)C[C@@H]1[NH+]1CCCC1 ZINC000333074898 554568384 /nfs/dbraw/zinc/56/83/84/554568384.db2.gz DGANZCVAIZQEER-HOTGVXAUSA-N 1 0 371.572 2.302 20 30 FEEDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N=c2[nH]n(C)cc2C#N)CC1 ZINC000610973462 554589844 /nfs/dbraw/zinc/58/98/44/554589844.db2.gz BVDWXGMOBSGYDC-CYBMUJFWSA-N 1 0 353.430 2.034 20 30 FEEDRO Cc1cc(N2CC[C@@H](N3CC[NH2+]CC3)C2)n2c3ccccc3nc2c1C#N ZINC000333518649 554620469 /nfs/dbraw/zinc/62/04/69/554620469.db2.gz KFBWLVXITYYNMN-MRXNPFEDSA-N 1 0 360.465 2.152 20 30 FEEDRO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC[C@@H](N2CCCC2=O)CC1 ZINC000334017556 554668523 /nfs/dbraw/zinc/66/85/23/554668523.db2.gz BTYZOEJUPOUKTC-IAGOWNOFSA-N 1 0 360.502 2.194 20 30 FEEDRO N#CC1(F)CC[NH+](CCC(=O)Nc2ccc(C(N)=O)c(Cl)c2)CC1 ZINC000510972766 561852788 /nfs/dbraw/zinc/85/27/88/561852788.db2.gz ZJXUZKYECOIOIR-UHFFFAOYSA-N 1 0 352.797 2.095 20 30 FEEDRO CCCN(CC[NH+]1CCCC1)S(=O)(=O)Cc1ccc(C#N)cc1F ZINC000511341077 561866067 /nfs/dbraw/zinc/86/60/67/561866067.db2.gz CDSTWVYDUYYQCU-UHFFFAOYSA-N 1 0 353.463 2.335 20 30 FEEDRO CCCN(CC[NH+]1CCCC1)S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000511347667 561866215 /nfs/dbraw/zinc/86/62/15/561866215.db2.gz UNFRCOYVGMVOIC-UHFFFAOYSA-N 1 0 357.426 2.333 20 30 FEEDRO C[C@@H]1CN(C(=O)c2ccc(C3(C#N)CC3)cc2)CCN1C1CC[NH+](C)CC1 ZINC000360438804 554875056 /nfs/dbraw/zinc/87/50/56/554875056.db2.gz ZYIQVCQOEGRZKC-QGZVFWFLSA-N 1 0 366.509 2.482 20 30 FEEDRO Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000613161001 554894479 /nfs/dbraw/zinc/89/44/79/554894479.db2.gz JLPWSZMSGBDAKS-MRXNPFEDSA-N 1 0 367.457 2.442 20 30 FEEDRO N#Cc1ccc(-c2nnc(CN3CC[NH+]([C@H]4CCSC4)CC3)o2)cc1 ZINC000362823529 554991161 /nfs/dbraw/zinc/99/11/61/554991161.db2.gz SCOMLFKJLBMYIX-INIZCTEOSA-N 1 0 355.467 2.231 20 30 FEEDRO CN(C1CCN(c2cc[nH+]cc2)CC1)S(=O)(=O)Cc1cccc(C#N)c1 ZINC000362964019 555003454 /nfs/dbraw/zinc/00/34/54/555003454.db2.gz HFJBWFIPRNOVEC-UHFFFAOYSA-N 1 0 370.478 2.384 20 30 FEEDRO N#CCCSc1ccccc1NC(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000363034004 555015082 /nfs/dbraw/zinc/01/50/82/555015082.db2.gz GGFODHBANCOCQR-LSDHHAIUSA-N 1 0 372.494 2.374 20 30 FEEDRO C=CCN(C(=O)C(=O)c1cnn(CC)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000363162336 555043476 /nfs/dbraw/zinc/04/34/76/555043476.db2.gz IVHJDNWILJUMEO-IBGZPJMESA-N 1 0 366.465 2.375 20 30 FEEDRO Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N(C)[C@H]3CC[N@H+](C)[C@H](C)C3)C2)n1 ZINC000363170256 555044933 /nfs/dbraw/zinc/04/49/33/555044933.db2.gz FHGLPDIASIVVLW-NEWSRXKRSA-N 1 0 369.513 2.419 20 30 FEEDRO COc1cc(C#N)ccc1OCC(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000363238759 555061314 /nfs/dbraw/zinc/06/13/14/555061314.db2.gz JILMCAPWLZOAMV-UHFFFAOYSA-N 1 0 357.454 2.423 20 30 FEEDRO Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N[C@@H]3CCC[C@H]([NH+](C)C)C3)C2)n1 ZINC000363358392 555085134 /nfs/dbraw/zinc/08/51/34/555085134.db2.gz FDXLMLAQVYTMFR-OTWHNJEPSA-N 1 0 369.513 2.467 20 30 FEEDRO C=CCOc1ccccc1C(=O)N1CCC[C@H](C[NH+]2CCN(C)CC2)C1 ZINC000363382743 555091010 /nfs/dbraw/zinc/09/10/10/555091010.db2.gz ZUMXHEPVDTVCCN-GOSISDBHSA-N 1 0 357.498 2.351 20 30 FEEDRO Cc1cc(C)cc(N(CCC#N)C(=O)CN2CCCC[C@H]2C(=[NH2+])NO)c1 ZINC000363773075 555182639 /nfs/dbraw/zinc/18/26/39/555182639.db2.gz BDFSLAYTFUDTNF-KRWDZBQOSA-N 1 0 357.458 2.361 20 30 FEEDRO C=C(C)C[N@H+](CCc1nnnn1-c1ccccc1)Cc1ccc(CO)o1 ZINC000512151861 561893995 /nfs/dbraw/zinc/89/39/95/561893995.db2.gz IALLMWKTOBHARJ-UHFFFAOYSA-N 1 0 353.426 2.368 20 30 FEEDRO N#Cc1cc(NC(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)ccc1N1CCC(O)CC1 ZINC000364090485 555247653 /nfs/dbraw/zinc/24/76/53/555247653.db2.gz NIKYQEYHOJGAOZ-WMZOPIPTSA-N 1 0 368.481 2.332 20 30 FEEDRO CCN1CC[NH+](C[C@H](C)CNC(=O)C2(c3cc(F)cc(C#N)c3)CC2)CC1 ZINC000512320262 561900313 /nfs/dbraw/zinc/90/03/13/561900313.db2.gz BJRZAZGUOFSSBM-MRXNPFEDSA-N 1 0 372.488 2.119 20 30 FEEDRO CC[NH+]1CCN([C@@H](C)CNC(=O)C(C)(C)c2cc(F)cc(C#N)c2)CC1 ZINC000512333990 561901042 /nfs/dbraw/zinc/90/10/42/561901042.db2.gz LUKFPJXGAAOIBY-HNNXBMFYSA-N 1 0 360.477 2.117 20 30 FEEDRO CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)[C@@](C)(C#N)CC)CC1 ZINC000512333788 561901059 /nfs/dbraw/zinc/90/10/59/561901059.db2.gz JWUOBTWYGIGGOL-LJQANCHMSA-N 1 0 350.507 2.013 20 30 FEEDRO C[C@H](NC(=O)N1CCN(C2CC2)[C@H](C#N)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000364681502 555372976 /nfs/dbraw/zinc/37/29/76/555372976.db2.gz IKBGSYRLHVFWIB-TXPKVOOTSA-N 1 0 359.518 2.021 20 30 FEEDRO N#C[C@H]1CN(C(=O)NCCC[NH+]2CCCCC2)CCN1Cc1ccccc1 ZINC000512677614 561912231 /nfs/dbraw/zinc/91/22/31/561912231.db2.gz LJXUNYRBFMTZCB-FQEVSTJZSA-N 1 0 369.513 2.282 20 30 FEEDRO C=CCN(C(=O)NCCC(=O)NC(C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000364919550 555437295 /nfs/dbraw/zinc/43/72/95/555437295.db2.gz RYQFAWWTUXUOLW-IBGZPJMESA-N 1 0 372.513 2.373 20 30 FEEDRO C=CC[C@]1(C(=O)NC[C@H]2CC[N@@H+](C)C2)CCCN1C(=O)OC(C)(C)C ZINC000364930536 555440844 /nfs/dbraw/zinc/44/08/44/555440844.db2.gz NUCGEMXKPXZKDD-DNVCBOLYSA-N 1 0 351.491 2.400 20 30 FEEDRO N#Cc1ncn(CC[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccncc2)n1 ZINC000512885720 561919183 /nfs/dbraw/zinc/91/91/83/561919183.db2.gz SVKBFQJQHQIDGX-UHFFFAOYSA-N 1 0 370.420 2.187 20 30 FEEDRO C=CCOc1ccccc1C[NH2+]C[C@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000512909104 561919499 /nfs/dbraw/zinc/91/94/99/561919499.db2.gz RUZVAASHKSHNDF-NVXWUHKLSA-N 1 0 352.500 2.449 20 30 FEEDRO C=CCN(C(=O)[C@H]1CCCN1C(C)=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000365258462 555525058 /nfs/dbraw/zinc/52/50/58/555525058.db2.gz OSSHSCVPLAQSBK-VQTJNVASSA-N 1 0 355.482 2.286 20 30 FEEDRO C[NH+](C)[C@@H]1CCCN(C(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1 ZINC000365267189 555527457 /nfs/dbraw/zinc/52/74/57/555527457.db2.gz PMJPIAFVNRPMMJ-MRXNPFEDSA-N 1 0 353.430 2.087 20 30 FEEDRO Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N(C)[C@@H]3CCC[N@H+](C)C3)C2)n1 ZINC000365768518 555663405 /nfs/dbraw/zinc/66/34/05/555663405.db2.gz HAMFLEXAHIAGHJ-QZTJIDSGSA-N 1 0 355.486 2.031 20 30 FEEDRO C#CC[C@@]1(C(=O)N2CC[C@@H](C[NH+](C)C)C2)CCCN1C(=O)OC(C)(C)C ZINC000365977232 555715352 /nfs/dbraw/zinc/71/53/52/555715352.db2.gz FVNOAVKGIITNMV-JXFKEZNVSA-N 1 0 363.502 2.190 20 30 FEEDRO C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CC[NH+]([C@H]2CCSC2)CC1 ZINC000366064392 555741021 /nfs/dbraw/zinc/74/10/21/555741021.db2.gz ALUKUTRFVSUURE-MJGOQNOKSA-N 1 0 372.538 2.445 20 30 FEEDRO N#Cc1ccc(N2CCC[C@H]([N@H+]3[C@@H]4CCCC[C@@H]4C[C@H]3C(N)=O)C2=O)cc1 ZINC000366090820 555748655 /nfs/dbraw/zinc/74/86/55/555748655.db2.gz ZBGMEGCSUNKIBD-YSHGAJCASA-N 1 0 366.465 2.172 20 30 FEEDRO COc1ccc(C[NH+]2CCC(C(=O)Nc3cnccn3)CC2)cc1C#N ZINC000366692061 555910501 /nfs/dbraw/zinc/91/05/01/555910501.db2.gz TWRMMHINDMBVJI-UHFFFAOYSA-N 1 0 351.410 2.208 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@@H]1C ZINC000366704880 555913714 /nfs/dbraw/zinc/91/37/14/555913714.db2.gz SZFUNABAOMUMMS-VHPHOLNESA-N 1 0 365.518 2.156 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000366704878 555913743 /nfs/dbraw/zinc/91/37/43/555913743.db2.gz SZFUNABAOMUMMS-NNIGNNQHSA-N 1 0 365.518 2.156 20 30 FEEDRO CC(C)(C)OC(=O)N1CCN2C(NCC3CCC(C#N)CC3)=[NH+]C[C@@H]2C1 ZINC000367028446 556000214 /nfs/dbraw/zinc/00/02/14/556000214.db2.gz FKVFUUCGVNTCFH-UYSNPLJNSA-N 1 0 361.490 2.197 20 30 FEEDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1ccc(-n2ncc(C#N)c2N)cc1 ZINC000367464689 556057149 /nfs/dbraw/zinc/05/71/49/556057149.db2.gz IRYVZYQAYBDWAS-KBXCAEBGSA-N 1 0 364.453 2.025 20 30 FEEDRO C#CC[C@]1(C(=O)N[C@H]2CCc3[nH]cnc3C2)CCCN1C(=O)OC(C)(C)C ZINC000367723675 556123364 /nfs/dbraw/zinc/12/33/64/556123364.db2.gz CSDHAKWZYNPAAL-VBKZILBWSA-N 1 0 372.469 2.176 20 30 FEEDRO N#Cc1ccccc1NC(=O)CC[NH+]1CCN(c2ccc(F)cn2)CC1 ZINC000367741731 556127295 /nfs/dbraw/zinc/12/72/95/556127295.db2.gz VFIRQIVBVPBTSL-UHFFFAOYSA-N 1 0 353.401 2.243 20 30 FEEDRO Cn1nc(CC[NH2+]C[C@H](O)COc2ccc(C#N)cc2)c2ccccc21 ZINC000514932486 561987493 /nfs/dbraw/zinc/98/74/93/561987493.db2.gz HYLULFZALSJLDJ-INIZCTEOSA-N 1 0 350.422 2.017 20 30 FEEDRO C#CCN(Cc1ccccc1)C(=O)NC[C@@H]1CCC[C@@H]1[NH+]1CCOCC1 ZINC000367884038 556164289 /nfs/dbraw/zinc/16/42/89/556164289.db2.gz FZEJBKNTLRCXNX-PMACEKPBSA-N 1 0 355.482 2.332 20 30 FEEDRO COc1cc(C[NH+]2CCC(Oc3ccnc(C(N)=O)c3)CC2)ccc1C#N ZINC000368037111 556200874 /nfs/dbraw/zinc/20/08/74/556200874.db2.gz LSHFCWMUJYHCJY-UHFFFAOYSA-N 1 0 366.421 2.104 20 30 FEEDRO N#CC[C@@H]1C[C@H]2[C@H](CCC[C@H]2[NH2+]Cc2cccc(N3CCOCC3)n2)O1 ZINC000368417910 556302866 /nfs/dbraw/zinc/30/28/66/556302866.db2.gz VACCKAWHSDYNBK-MKXGPGLRSA-N 1 0 356.470 2.248 20 30 FEEDRO C[C@H](C(=O)NC[C@H]1COc2ccccc2O1)[NH+]1CCC(CCC#N)CC1 ZINC000515379561 562008167 /nfs/dbraw/zinc/00/81/67/562008167.db2.gz GHBHIOZRMWBOSC-WBVHZDCISA-N 1 0 357.454 2.347 20 30 FEEDRO COC(=O)[C@@H](c1cccc(C#N)c1)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000368544532 556341325 /nfs/dbraw/zinc/34/13/25/556341325.db2.gz VLKXAQQLFIDWSS-HXUWFJFHSA-N 1 0 371.481 2.207 20 30 FEEDRO Cc1cc(=NC(=O)N[C@H]2CCC[N@@H+](C3CCCCC3)C2)[nH]n1CCC#N ZINC000368592905 556356491 /nfs/dbraw/zinc/35/64/91/556356491.db2.gz RHDDXTMJXTWDJL-INIZCTEOSA-N 1 0 358.490 3.024 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000368729628 556399036 /nfs/dbraw/zinc/39/90/36/556399036.db2.gz QICYUVOFSCAJEY-QGZVFWFLSA-N 1 0 363.502 2.237 20 30 FEEDRO CCCN(CCC)S(=O)(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000515525085 562014042 /nfs/dbraw/zinc/01/40/42/562014042.db2.gz VMVYABPZTCEANR-UHFFFAOYSA-N 1 0 366.531 2.289 20 30 FEEDRO CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCC(C(=O)N(C)c2ccccc2)CC1 ZINC000368822565 556423149 /nfs/dbraw/zinc/42/31/49/556423149.db2.gz LXDJPHLWRPEVAT-KRWDZBQOSA-N 1 0 370.497 2.370 20 30 FEEDRO C=CCN(C(=O)N[C@@H](C)c1nncn1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000368924141 556449925 /nfs/dbraw/zinc/44/99/25/556449925.db2.gz HWWFTGKTLBSHQQ-FUHWJXTLSA-N 1 0 368.485 2.348 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)NCc2ccc(-n3ccnc3)c(F)c2)CC1 ZINC000369080644 556499793 /nfs/dbraw/zinc/49/97/93/556499793.db2.gz HWIYZFFWIIAGOO-UHFFFAOYSA-N 1 0 357.433 2.461 20 30 FEEDRO CC[NH+](CC)[C@H](C(=O)N1CCC(n2cnc(C#N)n2)CC1)c1ccccc1 ZINC000369384356 556586481 /nfs/dbraw/zinc/58/64/81/556586481.db2.gz RHKFJLNVLRZPTF-IBGZPJMESA-N 1 0 366.469 2.396 20 30 FEEDRO Cn1cc([C@@H]2[C@H](CNC(=O)NCc3ccc(C#N)cc3)CCC[N@@H+]2C)cn1 ZINC000369427837 556598283 /nfs/dbraw/zinc/59/82/83/556598283.db2.gz RXBOZHAZKFYVOH-HKUYNNGSSA-N 1 0 366.469 2.174 20 30 FEEDRO N#Cc1ccc(OC[C@H](O)C[NH2+][C@H]2c3ccccc3CC[C@@H]2CO)cc1 ZINC000369557987 556630918 /nfs/dbraw/zinc/63/09/18/556630918.db2.gz BQGVTYXEBQNBGT-DBXWQHBBSA-N 1 0 352.434 2.184 20 30 FEEDRO C#CC[C@H](NC(=O)N=c1ccn(C2CC[NH+](C)CC2)[nH]1)c1ccccc1 ZINC000369698153 556672132 /nfs/dbraw/zinc/67/21/32/556672132.db2.gz UNCGKQKUELUJIS-SFHVURJKSA-N 1 0 351.454 3.036 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)[C@@]2(C)CCCN2C(=O)c2ccccc2)CC1 ZINC000369757250 556686488 /nfs/dbraw/zinc/68/64/88/556686488.db2.gz KPONFHPSDVNWRN-JOCHJYFZSA-N 1 0 367.493 2.285 20 30 FEEDRO N#CC[C@@H]1C[C@H]2[C@@H](CCC[C@H]2[NH2+]Cc2cccnc2N2CCOCC2)O1 ZINC000369848122 556711150 /nfs/dbraw/zinc/71/11/50/556711150.db2.gz SAJFACICQMEHQB-NCXUSEDFSA-N 1 0 356.470 2.248 20 30 FEEDRO COCC[N@H+](C)CCCNC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000369870841 556717728 /nfs/dbraw/zinc/71/77/28/556717728.db2.gz GXAPKFCJZNUJJU-RTBURBONSA-N 1 0 358.486 2.436 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H]2c3ccccc3CC[C@@H]2CO)cc1 ZINC000370092266 556778718 /nfs/dbraw/zinc/77/87/18/556778718.db2.gz FGLQXSMIEXSJDW-XLIONFOSSA-N 1 0 370.474 2.218 20 30 FEEDRO CC[C@H](CC#N)NC(=O)c1nnn(-c2cccc3c2CC[N@H+](CC)C3)c1C ZINC000370380984 556855990 /nfs/dbraw/zinc/85/59/90/556855990.db2.gz LDDXBUSHGDEYSP-MRXNPFEDSA-N 1 0 366.469 2.376 20 30 FEEDRO CCc1nc(CN2C[C@@H]3C[NH+](Cc4ccc(F)c(C#N)c4)C[C@H]3C2)no1 ZINC000370424650 556868821 /nfs/dbraw/zinc/86/88/21/556868821.db2.gz NRTRHUPAYPQSSI-HOTGVXAUSA-N 1 0 355.417 2.207 20 30 FEEDRO C[C@H](C#N)Oc1ccc(CN2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)cc1 ZINC000370711139 556946744 /nfs/dbraw/zinc/94/67/44/556946744.db2.gz WBNLIHNDGOMMPY-UEXGIBASSA-N 1 0 356.514 2.435 20 30 FEEDRO N#C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)CCN1C1CC1 ZINC000370965919 557029988 /nfs/dbraw/zinc/02/99/88/557029988.db2.gz BKLRCDMPWJKQOO-AZUAARDMSA-N 1 0 352.482 2.097 20 30 FEEDRO COCC[N@@H+]1CC[C@H](NC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)C1 ZINC000371052347 557059080 /nfs/dbraw/zinc/05/90/80/557059080.db2.gz IAOABCSXRWBCQL-IPMKNSEASA-N 1 0 356.470 2.188 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)NC[C@@H](c2ccccc2)N2CCOCC2)CC1 ZINC000517335912 562085836 /nfs/dbraw/zinc/08/58/36/562085836.db2.gz ZCRHTIBUJSKSLU-FQEVSTJZSA-N 1 0 372.513 2.010 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])cc1Br ZINC000517370391 562087257 /nfs/dbraw/zinc/08/72/57/562087257.db2.gz XQEVWBMDVQQSGE-BXUZGUMPSA-N 1 0 372.288 2.117 20 30 FEEDRO CC(C)CN(CC[NH+](C)C)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 ZINC000371538319 557214550 /nfs/dbraw/zinc/21/45/50/557214550.db2.gz JXQIKINLRFUFBD-UHFFFAOYSA-N 1 0 372.517 2.151 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc2c(cn1)OCCC2 ZINC000371618150 557241280 /nfs/dbraw/zinc/24/12/80/557241280.db2.gz DOELNERLBDYPJX-UHFFFAOYSA-N 1 0 364.449 2.482 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)[C@H](NC(=O)NCc2ccccc2)C(C)C)CC1 ZINC000517987518 562101940 /nfs/dbraw/zinc/10/19/40/562101940.db2.gz ICQNALCSDQWRPI-LJQANCHMSA-N 1 0 372.513 2.277 20 30 FEEDRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)N=c2ccn(CCC#N)[nH]2)CC1 ZINC000371795648 557296142 /nfs/dbraw/zinc/29/61/42/557296142.db2.gz IIOPQIVGKZRWAF-UHFFFAOYSA-N 1 0 366.469 2.845 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2C[C@H](OCC)[C@]23CCCO3)CC1 ZINC000371937459 557333692 /nfs/dbraw/zinc/33/36/92/557333692.db2.gz LLUYELRHUQGFSM-AOIWGVFYSA-N 1 0 351.491 2.053 20 30 FEEDRO Cc1cc(NC(=O)N2CCC([NH+](C)C)CC2)nn1-c1cccc(C#N)c1 ZINC000372366814 557451414 /nfs/dbraw/zinc/45/14/14/557451414.db2.gz LQXQLAZJHSNVHT-UHFFFAOYSA-N 1 0 352.442 2.610 20 30 FEEDRO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCCN(C(=O)[C@@H]3CCCO3)CC2)cc1 ZINC000372434788 557469903 /nfs/dbraw/zinc/46/99/03/557469903.db2.gz FJILUYCZEUTCRP-APWZRJJASA-N 1 0 357.454 2.191 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2COc3cc(OC)ccc3C2)CC1 ZINC000372450278 557473694 /nfs/dbraw/zinc/47/36/94/557473694.db2.gz SRLGKCWMXNEQDZ-KRWDZBQOSA-N 1 0 359.470 2.338 20 30 FEEDRO C=CCN(C(=O)[C@@H]1CCCN(C(N)=O)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000372598771 557516808 /nfs/dbraw/zinc/51/68/08/557516808.db2.gz HGOMAZXDDITJJF-MOPGFXCFSA-N 1 0 370.497 2.066 20 30 FEEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1N(C)CC(=O)NC1(C#N)CCC1 ZINC000372611011 557520680 /nfs/dbraw/zinc/52/06/80/557520680.db2.gz ONDULZIAZAEOOF-IEBWSBKVSA-N 1 0 354.498 2.391 20 30 FEEDRO C[C@](C#N)(NC(=O)C[N@H+](Cc1cccc(O)c1)[C@H]1CC[C@H](O)CC1)C1CC1 ZINC000519600558 562136565 /nfs/dbraw/zinc/13/65/65/562136565.db2.gz CFHMITIQTQUXMY-DBXWQHBBSA-N 1 0 371.481 2.306 20 30 FEEDRO CN1C(=O)C[C@@H]([NH2+]CC(=O)Nc2cccc(C#N)c2)[C@@H]1c1ccc(F)cc1 ZINC000372810834 557566860 /nfs/dbraw/zinc/56/68/60/557566860.db2.gz XDMVHQZIEGCQIX-XLIONFOSSA-N 1 0 366.396 2.197 20 30 FEEDRO CN(CCC#N)C(=O)CC[N@@H+]1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1 ZINC000372853270 557575509 /nfs/dbraw/zinc/57/55/09/557575509.db2.gz YRHYOUYVKDHZMC-OXQOHEQNSA-N 1 0 371.485 2.138 20 30 FEEDRO COc1cccc2c1C[C@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)C2 ZINC000519702338 562140586 /nfs/dbraw/zinc/14/05/86/562140586.db2.gz YBKNEYSUPJEWDD-MRXNPFEDSA-N 1 0 356.447 2.098 20 30 FEEDRO COC(=O)c1cn([C@H]2CCN(Cc3ccc(F)c(C#N)c3Cl)C2)nn1 ZINC000373012352 557609995 /nfs/dbraw/zinc/60/99/95/557609995.db2.gz IDEBLCHLQIAFME-NSHDSACASA-N 1 0 363.780 2.176 20 30 FEEDRO N#C[C@@H](c1cccs1)N1CCN(C(=O)C[N@@H+]2CCCC23CCC3)CC1 ZINC000373091354 557626969 /nfs/dbraw/zinc/62/69/69/557626969.db2.gz BUNQBODHHKRPJB-INIZCTEOSA-N 1 0 358.511 2.475 20 30 FEEDRO Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N(C)CC[N@H+](C)C3CC3)C2)n1 ZINC000373490787 557703396 /nfs/dbraw/zinc/70/33/96/557703396.db2.gz UJBBNULYDKRKMU-KRWDZBQOSA-N 1 0 355.486 2.031 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N2C[C@@H](CC)O[C@@]3(CCCOC3)C2)CC1 ZINC000373492470 557704064 /nfs/dbraw/zinc/70/40/64/557704064.db2.gz DQMLDUDEPKHXBX-QUCCMNQESA-N 1 0 365.518 2.397 20 30 FEEDRO N#Cc1cc(S(=O)(=O)N2CCCc3cccc(CC[NH3+])c32)ccc1F ZINC000373520129 557710141 /nfs/dbraw/zinc/71/01/41/557710141.db2.gz HGZMCQIKRRRJPC-UHFFFAOYSA-N 1 0 359.426 2.340 20 30 FEEDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)[C@@H]2CCC(=O)N2Cc2cccc(C#N)c2)C1 ZINC000373695839 557740483 /nfs/dbraw/zinc/74/04/83/557740483.db2.gz JYGWOEUNQLIGHA-QRVBRYPASA-N 1 0 368.481 2.038 20 30 FEEDRO CC[C@@H](CNC(=O)[C@@H]1CCC(=O)N1Cc1cccc(C#N)c1)[NH+]1CCCC1 ZINC000373708603 557742969 /nfs/dbraw/zinc/74/29/69/557742969.db2.gz PYFDRCQKYLUVAX-OALUTQOASA-N 1 0 368.481 2.040 20 30 FEEDRO C[NH+](C)CC1(NC(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)CCC1 ZINC000373955169 557795348 /nfs/dbraw/zinc/79/53/48/557795348.db2.gz AVVXXTJCYVAKPS-UHFFFAOYSA-N 1 0 371.485 2.427 20 30 FEEDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccccc2SCCC#N)C1 ZINC000520843319 562165069 /nfs/dbraw/zinc/16/50/69/562165069.db2.gz QFKGAAHEJQUXAK-OAHLLOKOSA-N 1 0 374.510 2.477 20 30 FEEDRO C=CCOc1cccc(C[NH2+]CCS(=O)(=O)NCc2ccccc2)c1 ZINC000520958921 562166576 /nfs/dbraw/zinc/16/65/76/562166576.db2.gz XMUANUYCNSJFNE-UHFFFAOYSA-N 1 0 360.479 2.461 20 30 FEEDRO N#CCOc1cccc(CC(=O)N2CCN[C@H](c3cccc(F)c3)C2)c1 ZINC000374311545 557863614 /nfs/dbraw/zinc/86/36/14/557863614.db2.gz CDLZINKWURVGFJ-IBGZPJMESA-N 1 0 353.397 2.444 20 30 FEEDRO COC(=O)[C@]12CCC[C@H]1C[N@@H+]([C@@H]1CCN(c3sccc3C#N)C1=O)C2 ZINC000374645888 557911641 /nfs/dbraw/zinc/91/16/41/557911641.db2.gz KCKWEICNXAZWBF-IYOUNJFTSA-N 1 0 359.451 2.000 20 30 FEEDRO C=CCc1ccc(OC[C@@H](O)CN2CCn3cc(C)nc3C2)c(OC)c1 ZINC000374658571 557913121 /nfs/dbraw/zinc/91/31/21/557913121.db2.gz GXVHFAIMXHIFJD-KRWDZBQOSA-N 1 0 357.454 2.184 20 30 FEEDRO N#Cc1cccc(S(=O)(=O)CCN2CCC([C@@H]3CCCOC3)CC2)c1 ZINC000374737948 557923628 /nfs/dbraw/zinc/92/36/28/557923628.db2.gz UTCXQEPFMGCWDZ-GOSISDBHSA-N 1 0 362.495 2.471 20 30 FEEDRO N#CC1(NC(=O)CSc2nncs2)CC[NH+](Cc2ccccc2)CC1 ZINC000374876587 557944773 /nfs/dbraw/zinc/94/47/73/557944773.db2.gz CIIUFWWYIRLRJT-UHFFFAOYSA-N 1 0 373.507 2.305 20 30 FEEDRO CN(C)c1noc(C2CC[NH+](CCC(=O)Nc3sccc3C#N)CC2)n1 ZINC000374910125 557949959 /nfs/dbraw/zinc/94/99/59/557949959.db2.gz HUPAUJIYBOWJJE-UHFFFAOYSA-N 1 0 374.470 2.277 20 30 FEEDRO Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2CCC[N@@H+]([C@H](C)CO)CC2)cc1 ZINC000375492830 558036973 /nfs/dbraw/zinc/03/69/73/558036973.db2.gz GNJNMBQPGQVRSL-MOPGFXCFSA-N 1 0 372.513 2.019 20 30 FEEDRO COc1ccccc1N1CC[C@@H](C)[N@H+](CCC(=O)N(C)CCC#N)CC1 ZINC000375673509 558065518 /nfs/dbraw/zinc/06/55/18/558065518.db2.gz GHNZVWNLIFSFJQ-QGZVFWFLSA-N 1 0 358.486 2.358 20 30 FEEDRO N#Cc1ccc(C2=CCN(C(=O)NCC[N@@H+]3CCCOCC3)CC2)cc1 ZINC000521557106 562178543 /nfs/dbraw/zinc/17/85/43/562178543.db2.gz QNBJVPIKPMCXSP-UHFFFAOYSA-N 1 0 354.454 2.079 20 30 FEEDRO N#C[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCN(S(=O)(=O)c3cccs3)C2)C1 ZINC000375836949 558087490 /nfs/dbraw/zinc/08/74/90/558087490.db2.gz FCWIOFWETDWJKB-QLFBSQMISA-N 1 0 353.513 2.431 20 30 FEEDRO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCC[C@H]1[NH2+]CCn1cnc(C#N)n1 ZINC000376122721 558129633 /nfs/dbraw/zinc/12/96/33/558129633.db2.gz LDXURHGNXVWVQR-ARFHVFGLSA-N 1 0 374.489 2.308 20 30 FEEDRO CCOc1ccc(N(CCC#N)C(=O)C[NH2+][C@H](CO)C2CCCC2)cc1 ZINC000521695791 562182433 /nfs/dbraw/zinc/18/24/33/562182433.db2.gz ZHIRKXQEKNDXAQ-LJQANCHMSA-N 1 0 359.470 2.473 20 30 FEEDRO C#CCN(Cc1ccccc1)C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000376700718 558210733 /nfs/dbraw/zinc/21/07/33/558210733.db2.gz OCANNLLIXNTEGE-UHFFFAOYSA-N 1 0 368.525 2.390 20 30 FEEDRO CCN(CCC[NH+](C)C)C(=O)[C@H]1CCCN(c2nc(C)ccc2C#N)C1 ZINC000376997825 558249706 /nfs/dbraw/zinc/24/97/06/558249706.db2.gz QTSNHWRFGDYSBE-SFHVURJKSA-N 1 0 357.502 2.278 20 30 FEEDRO C=C(CNC(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1)c1ccccc1 ZINC000377006632 558250851 /nfs/dbraw/zinc/25/08/51/558250851.db2.gz SFGMHRLJPNTMJW-AZUAARDMSA-N 1 0 356.514 2.367 20 30 FEEDRO C=CCOc1ccc(CNC(=O)N2CCC[N@@H+](CC(C)(C)O)CC2)cc1 ZINC000377248336 558297941 /nfs/dbraw/zinc/29/79/41/558297941.db2.gz GXFOGDLIFOFUAJ-UHFFFAOYSA-N 1 0 361.486 2.240 20 30 FEEDRO C[C@H](NC(=O)N1CCN(C2CC2)[C@H](C#N)C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000377266547 558302017 /nfs/dbraw/zinc/30/20/17/558302017.db2.gz QVUCKTHXBFVBAH-IPELMVKDSA-N 1 0 355.486 2.060 20 30 FEEDRO C[NH+](C)CCN(C(=O)C1CCN(c2ccc(C#N)cc2F)CC1)C1CC1 ZINC000377312256 558312571 /nfs/dbraw/zinc/31/25/71/558312571.db2.gz VRTLFEDOURVHGB-UHFFFAOYSA-N 1 0 358.461 2.466 20 30 FEEDRO CCc1nc(CN2C[C@@H]3C[NH+](Cc4cc(C#N)ccc4F)C[C@H]3C2)no1 ZINC000377431883 558339474 /nfs/dbraw/zinc/33/94/74/558339474.db2.gz KPRUROXFHDYGPF-HOTGVXAUSA-N 1 0 355.417 2.207 20 30 FEEDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N2CCN(C3CC3)[C@H](C#N)C2)C1 ZINC000377668066 558391447 /nfs/dbraw/zinc/39/14/47/558391447.db2.gz JSNZHQKQMLIHSO-ZHALLVOQSA-N 1 0 361.534 2.126 20 30 FEEDRO N#Cc1ccc([C@@H]([NH2+][C@@H]2CCCN(c3cccc(F)c3)C2)C(N)=O)cc1 ZINC000522546681 562199599 /nfs/dbraw/zinc/19/95/99/562199599.db2.gz YYYQLLCJFRGKJP-IEBWSBKVSA-N 1 0 352.413 2.482 20 30 FEEDRO C[C@H](C(=O)N(C)CCC#N)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000377717129 558404565 /nfs/dbraw/zinc/40/45/65/558404565.db2.gz DLAOYMCBJBCOMD-YZGWKJHDSA-N 1 0 354.498 2.201 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCC[C@H](NC(=O)CC)C1)C(C)C ZINC000522802716 562203919 /nfs/dbraw/zinc/20/39/19/562203919.db2.gz DHAULMSDCPSZMW-ROUUACIJSA-N 1 0 364.534 2.385 20 30 FEEDRO CN1CCN(C(=O)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)C[C@@H]1C#N ZINC000378112449 558483846 /nfs/dbraw/zinc/48/38/46/558483846.db2.gz VIDAPSKOHDVSAF-PMACEKPBSA-N 1 0 369.513 2.138 20 30 FEEDRO Cc1c(C#N)cccc1NC(=O)N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000378193791 558500308 /nfs/dbraw/zinc/50/03/08/558500308.db2.gz ZSKHKGMUMSGAIU-SFHVURJKSA-N 1 0 355.486 2.499 20 30 FEEDRO C[C@@H]1CN(C(=O)/C=C/c2ccccc2C#N)CCN1C1CC[NH+](C)CC1 ZINC000378366884 558540260 /nfs/dbraw/zinc/54/02/60/558540260.db2.gz PSPVDHJCIMCGDH-IWAYRVGRSA-N 1 0 352.482 2.198 20 30 FEEDRO C=CCN(C(=O)c1nn(C)cc1[N+](=O)[O-])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000378402529 558548414 /nfs/dbraw/zinc/54/84/14/558548414.db2.gz MCYSCCVJSJOTPJ-INIZCTEOSA-N 1 0 369.425 2.231 20 30 FEEDRO Cc1cc(C2=CC[N@H+](CCC(=O)N(C)CCC#N)CC2)cc([N+](=O)[O-])c1N ZINC000378412875 558550936 /nfs/dbraw/zinc/55/09/36/558550936.db2.gz SEQHCASKTXTWJY-UHFFFAOYSA-N 1 0 371.441 2.337 20 30 FEEDRO Cc1ncc(S(=O)(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1C#N ZINC000389949563 558609674 /nfs/dbraw/zinc/60/96/74/558609674.db2.gz RSAUWFRXNQWRSH-LIRRHRJNSA-N 1 0 370.478 2.061 20 30 FEEDRO N#Cc1ccc(N2CCN(C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@@H]34)CC2)c(F)c1 ZINC000523818311 562220338 /nfs/dbraw/zinc/22/03/38/562220338.db2.gz ZKGQPNWSHQJIOR-MJGOQNOKSA-N 1 0 371.460 2.156 20 30 FEEDRO CCN(C[C@H](C)C#N)S(=O)(=O)N(C)C(C)(C)C[NH+]1CCCCCC1 ZINC000410418111 558756527 /nfs/dbraw/zinc/75/65/27/558756527.db2.gz BSNANQABRIMXBK-MRXNPFEDSA-N 1 0 358.552 2.299 20 30 FEEDRO C=C(C)CN(Cc1ccccc1)C(=O)C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000410718464 558802959 /nfs/dbraw/zinc/80/29/59/558802959.db2.gz XDKBQJAFVFBNSB-UHFFFAOYSA-N 1 0 357.498 2.392 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)Cc1ccn(-c2ccc(F)cc2)n1 ZINC000525158381 562241408 /nfs/dbraw/zinc/24/14/08/562241408.db2.gz LMLWCTIZQFVOED-UHFFFAOYSA-N 1 0 357.433 2.248 20 30 FEEDRO C[C@@H](O)CC[NH+]1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 ZINC000411419634 558892082 /nfs/dbraw/zinc/89/20/82/558892082.db2.gz HCOJOTGGLGPUEE-CZUORRHYSA-N 1 0 352.276 2.402 20 30 FEEDRO C[N@H+](CCC(=O)Nc1ccccc1C#N)[C@H](CC(N)=O)c1ccccc1 ZINC000411666562 558939162 /nfs/dbraw/zinc/93/91/62/558939162.db2.gz MKZMTPKUMHNMGM-GOSISDBHSA-N 1 0 350.422 2.435 20 30 FEEDRO C[N@@H+]1CCC[C@@H](CCNC(=O)C(=O)Nc2cccc(OCCCC#N)c2)C1 ZINC000411670580 558940319 /nfs/dbraw/zinc/94/03/19/558940319.db2.gz KZANXCLMZHCFIX-INIZCTEOSA-N 1 0 372.469 2.156 20 30 FEEDRO COCC1(C#N)CC[NH+](C[C@@H](O)COc2ccc(SC)cc2)CC1 ZINC000411767014 558958853 /nfs/dbraw/zinc/95/88/53/558958853.db2.gz NEMXFRJLCNKYOR-OAHLLOKOSA-N 1 0 350.484 2.400 20 30 FEEDRO C[C@@H]1C[C@H](NC(=O)NC2CCC(Oc3ncccc3C#N)CC2)CC[N@@H+]1C ZINC000525852780 562257395 /nfs/dbraw/zinc/25/73/95/562257395.db2.gz CJQMHLVUVFWMDQ-CCGTUFIJSA-N 1 0 371.485 2.425 20 30 FEEDRO CN(C)C(=O)[C@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)C1 ZINC000411935881 558991092 /nfs/dbraw/zinc/99/10/92/558991092.db2.gz LCABHTDAHAGURO-ZDUSSCGKSA-N 1 0 374.510 2.237 20 30 FEEDRO COc1cc(C#N)ccc1OCC[N@@H+]1CC[C@](C(N)=O)(c2ccccc2)C1 ZINC000411958638 558995336 /nfs/dbraw/zinc/99/53/36/558995336.db2.gz CFHDEXWCZDLTBI-OAQYLSRUSA-N 1 0 365.433 2.075 20 30 FEEDRO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC[C@](C(N)=O)(c2ccccc2)C1 ZINC000411966082 558996468 /nfs/dbraw/zinc/99/64/68/558996468.db2.gz LBVIHTBGLBMHCX-YCRPNKLZSA-N 1 0 362.433 2.014 20 30 FEEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH2+][C@H](CO)[C@H]2CCCOC2)c1 ZINC000411996669 559000814 /nfs/dbraw/zinc/00/08/14/559000814.db2.gz SLODUWGFYQFBDT-CMKODMSKSA-N 1 0 373.497 2.316 20 30 FEEDRO COC(=O)[C@]1(C)CCC[N@@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000412067827 559009086 /nfs/dbraw/zinc/00/90/86/559009086.db2.gz MGOKVSWRAUXYLP-FXAWDEMLSA-N 1 0 355.438 2.329 20 30 FEEDRO C=CCC[C@@H](NC(=O)N1CC[N@H+](C)C[C@H](C(=O)OC)C1)c1ccccc1 ZINC000413402928 559105217 /nfs/dbraw/zinc/10/52/17/559105217.db2.gz NXSRQVHZHAZVPQ-ZWKOTPCHSA-N 1 0 359.470 2.440 20 30 FEEDRO C=CCCCCCN(C)C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000413617380 559120695 /nfs/dbraw/zinc/12/06/95/559120695.db2.gz JPHAWXPTYKQXKS-UHFFFAOYSA-N 1 0 366.550 2.171 20 30 FEEDRO Cc1cc(C#N)ccc1S(=O)(=O)N[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000414457811 559165202 /nfs/dbraw/zinc/16/52/02/559165202.db2.gz GOWMZNARLZVMFV-MSOLQXFVSA-N 1 0 355.463 2.243 20 30 FEEDRO CC[C@@H]1Oc2cc([C@H](C)[NH2+][C@@H](C)C(=O)NC3(C#N)CCC3)ccc2NC1=O ZINC000527044878 562274505 /nfs/dbraw/zinc/27/45/05/562274505.db2.gz BFLNMVJBZGITMJ-XEZPLFJOSA-N 1 0 370.453 2.398 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)CCCc2ccc(O)c(F)c2)c1C#N ZINC000527064545 562275359 /nfs/dbraw/zinc/27/53/59/562275359.db2.gz LFVYJYWGPGFQIV-UHFFFAOYSA-N 1 0 359.405 2.239 20 30 FEEDRO C[N@H+](CCc1ccc(Br)cc1)CC(=O)NC1(C#N)CCC1 ZINC000527128075 562277340 /nfs/dbraw/zinc/27/73/40/562277340.db2.gz JBWKPDKMRWLCTA-UHFFFAOYSA-N 1 0 350.260 2.486 20 30 FEEDRO C[NH2+][C@H]1CCN(C(=O)C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)C1 ZINC000415299322 559221998 /nfs/dbraw/zinc/22/19/98/559221998.db2.gz MNEFDQKYVZEYCQ-INIZCTEOSA-N 1 0 364.405 2.109 20 30 FEEDRO C[C@@H]1C[NH2+]CCN1C(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000415344463 559225819 /nfs/dbraw/zinc/22/58/19/559225819.db2.gz NKBYYWWQULRBFR-CQSZACIVSA-N 1 0 364.405 2.109 20 30 FEEDRO N#Cc1ccccc1Oc1ccc(NC(=O)C(=O)NC[C@@H]2CCC[NH2+]2)cc1 ZINC000415375624 559228771 /nfs/dbraw/zinc/22/87/71/559228771.db2.gz KGOHLTAIMCDZDP-INIZCTEOSA-N 1 0 364.405 2.157 20 30 FEEDRO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)Nc1scc(C(C)(C)C)c1C#N ZINC000415426019 559235187 /nfs/dbraw/zinc/23/51/87/559235187.db2.gz LAOGADBSXWZWII-NSHDSACASA-N 1 0 350.488 2.345 20 30 FEEDRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)Nc2scc(C(C)(C)C)c2C#N)C1 ZINC000415427817 559235420 /nfs/dbraw/zinc/23/54/20/559235420.db2.gz CCTYGHHJYCTFKR-VXGBXAGGSA-N 1 0 362.499 2.442 20 30 FEEDRO C[C@H]1CN(C(=O)C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)CC[NH2+]1 ZINC000415442922 559237358 /nfs/dbraw/zinc/23/73/58/559237358.db2.gz SZQBTSVOONYJSB-AWEZNQCLSA-N 1 0 364.405 2.109 20 30 FEEDRO COCCOc1ccc(C#N)cc1NC(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000415468547 559240490 /nfs/dbraw/zinc/24/04/90/559240490.db2.gz YOOFSBNTLUOILC-QGZVFWFLSA-N 1 0 360.458 2.483 20 30 FEEDRO O=C(Nc1cccc(C#Cc2ccccc2)c1)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000415479960 559241915 /nfs/dbraw/zinc/24/19/15/559241915.db2.gz IRMCXEWLGQFCDP-CTNGQTDRSA-N 1 0 373.456 2.378 20 30 FEEDRO CC(C)[C@@H]1CCc2c(C#N)c(NC(=O)C(=O)NC[C@@H](C)C[NH3+])sc2C1 ZINC000415510900 559245242 /nfs/dbraw/zinc/24/52/42/559245242.db2.gz LKWSLOUQVCCBPQ-NWDGAFQWSA-N 1 0 362.499 2.030 20 30 FEEDRO N#Cc1ccc(Oc2cccc(NC(=O)C(=O)NC[C@@H]([NH3+])C3CC3)c2)cc1 ZINC000415542846 559247900 /nfs/dbraw/zinc/24/79/00/559247900.db2.gz VYKUSQFNYDEVBG-GOSISDBHSA-N 1 0 364.405 2.143 20 30 FEEDRO Cc1cc(C#N)cc(NC(=O)C(=O)N(CCC[NH3+])Cc2ccccc2)c1 ZINC000415660368 559259244 /nfs/dbraw/zinc/25/92/44/559259244.db2.gz NOMHDFITVOFPBT-UHFFFAOYSA-N 1 0 350.422 2.183 20 30 FEEDRO N#Cc1ccc(NC(=O)N[C@H]2C[NH2+]CCC2(F)F)cc1Br ZINC000415685255 559261678 /nfs/dbraw/zinc/26/16/78/559261678.db2.gz BGWJHVJMGCWHOV-NSHDSACASA-N 1 0 359.174 2.439 20 30 FEEDRO N#CCCSc1ccccc1NC(=O)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000415756508 559268260 /nfs/dbraw/zinc/26/82/60/559268260.db2.gz LMCYCXUVBUQQPT-GASCZTMLSA-N 1 0 372.494 2.089 20 30 FEEDRO N#CCc1cccc(NC(=O)C(=O)N[C@@H](CCC[NH3+])c2ccccc2)c1 ZINC000415827036 559275891 /nfs/dbraw/zinc/27/58/91/559275891.db2.gz FAXTXPRQSBEKLY-SFHVURJKSA-N 1 0 350.422 2.288 20 30 FEEDRO O=C(Nc1ccccc1C#Cc1ccccc1)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000415860521 559279263 /nfs/dbraw/zinc/27/92/63/559279263.db2.gz CKHOEJWFGBESEW-IBGZPJMESA-N 1 0 361.445 2.283 20 30 FEEDRO C[NH2+]Cc1ccc(NC(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1 ZINC000415981269 559286868 /nfs/dbraw/zinc/28/68/68/559286868.db2.gz IUDXTSISQOPESP-UHFFFAOYSA-N 1 0 350.426 2.027 20 30 FEEDRO C=CCOc1ccccc1CNC(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000417586212 559368055 /nfs/dbraw/zinc/36/80/55/559368055.db2.gz ATZMWXZOQDRZIF-UHFFFAOYSA-N 1 0 372.513 2.267 20 30 FEEDRO N#Cc1ccccc1-c1ccc(CNC(=O)N2CCO[C@H](C[NH3+])C2)cc1 ZINC000417987842 559385244 /nfs/dbraw/zinc/38/52/44/559385244.db2.gz PEAVEHUPMKQXCJ-GOSISDBHSA-N 1 0 350.422 2.094 20 30 FEEDRO COc1cc(CNC(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)ccc1C#N ZINC000418193577 559393601 /nfs/dbraw/zinc/39/36/01/559393601.db2.gz BYOZVRQLBCMBJQ-ZWKOTPCHSA-N 1 0 350.422 2.203 20 30 FEEDRO C[C@@H]([NH3+])c1ccc(CNC(=O)N2CCN(c3ncccc3C#N)CC2)cc1 ZINC000418443576 559401845 /nfs/dbraw/zinc/40/18/45/559401845.db2.gz APQHKYYIKTXOQK-OAHLLOKOSA-N 1 0 364.453 2.005 20 30 FEEDRO C[C@@H](NC(=O)C(=O)N(CCC[NH3+])Cc1ccccc1)c1ccc(C#N)cc1 ZINC000419277861 559434989 /nfs/dbraw/zinc/43/49/89/559434989.db2.gz GVUWJDHWKZEVDY-MRXNPFEDSA-N 1 0 364.449 2.113 20 30 FEEDRO C[C@H](NC(=O)C(=O)N(CCC[NH3+])Cc1ccccc1)c1ccc(C#N)cc1 ZINC000419277860 559435055 /nfs/dbraw/zinc/43/50/55/559435055.db2.gz GVUWJDHWKZEVDY-INIZCTEOSA-N 1 0 364.449 2.113 20 30 FEEDRO C=CCSc1ccccc1NC(=O)CN1C[C@@H](C)[N@@H+](CCO)C[C@H]1C ZINC000419317524 559436739 /nfs/dbraw/zinc/43/67/39/559436739.db2.gz AJOBMCHBBDNSCT-HZPDHXFCSA-N 1 0 363.527 2.290 20 30 FEEDRO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000419327455 559437440 /nfs/dbraw/zinc/43/74/40/559437440.db2.gz CZZJJRGNCIKBAD-CABCVRRESA-N 1 0 356.388 2.324 20 30 FEEDRO N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)NC[C@H]1CCC[N@H+]1CCCO ZINC000419604957 559449523 /nfs/dbraw/zinc/44/95/23/559449523.db2.gz CZJHYIPUSGZYEV-MJGOQNOKSA-N 1 0 356.470 2.082 20 30 FEEDRO CC1CC[NH+](C[C@@H](O)CNC(=O)N[C@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000419632121 559450581 /nfs/dbraw/zinc/45/05/81/559450581.db2.gz FQBMRMFKPQTHOL-ICSRJNTNSA-N 1 0 370.497 2.328 20 30 FEEDRO C=C(C)[C@H](NC(=O)C(=O)N[C@@H](C[NH3+])CC(C)C)c1ccc(F)c(F)c1 ZINC000419678996 559453582 /nfs/dbraw/zinc/45/35/82/559453582.db2.gz OXCPNLSJNAOJQP-CJNGLKHVSA-N 1 0 353.413 2.188 20 30 FEEDRO CC(C)OCC[NH+]1CCC(NC(=O)NCc2ccc(C#N)s2)CC1 ZINC000420890973 559509638 /nfs/dbraw/zinc/50/96/38/559509638.db2.gz RGLZSBYZWFBJRR-UHFFFAOYSA-N 1 0 350.488 2.308 20 30 FEEDRO CCOC(=O)c1c(NC(=O)NCC[N@H+](CC)C2CC2)c(C#N)cn1CC ZINC000421168810 559528366 /nfs/dbraw/zinc/52/83/66/559528366.db2.gz ZBHVFMYMXAESIT-UHFFFAOYSA-N 1 0 361.446 2.162 20 30 FEEDRO CCOC(=O)c1c(NC(=O)N[C@@H](C)C[N@H+](C)C(C)C)c(C#N)cn1CC ZINC000421179721 559529335 /nfs/dbraw/zinc/52/93/35/559529335.db2.gz DGNIUUHUZUBOGC-ZDUSSCGKSA-N 1 0 363.462 2.407 20 30 FEEDRO CC(C)CS(=O)(=O)N1CCC([NH2+]Cc2ccc(C#N)c(F)c2)CC1 ZINC000421339909 559539640 /nfs/dbraw/zinc/53/96/40/559539640.db2.gz HEYFZIMGNKWBTD-UHFFFAOYSA-N 1 0 353.463 2.237 20 30 FEEDRO COC(=O)COc1ccc(C[NH2+]Cc2ccc(C#N)s2)cc1[N+](=O)[O-] ZINC000421354581 559540096 /nfs/dbraw/zinc/54/00/96/559540096.db2.gz WOXXEXVTYSSQBE-UHFFFAOYSA-N 1 0 361.379 2.370 20 30 FEEDRO CC(C)(C)CC(C)(C)[NH+]1CCN(C(=O)C(=O)NCCCCC#N)CC1 ZINC000422296858 559576538 /nfs/dbraw/zinc/57/65/38/559576538.db2.gz PJWZBEKORJUAEH-UHFFFAOYSA-N 1 0 350.507 2.155 20 30 FEEDRO C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000422327450 559579006 /nfs/dbraw/zinc/57/90/06/559579006.db2.gz DILHXDRHDZIYLA-LJQANCHMSA-N 1 0 355.482 2.058 20 30 FEEDRO C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000422530689 559593150 /nfs/dbraw/zinc/59/31/50/559593150.db2.gz RFJBUHQRVZTDSB-SXLOBPIMSA-N 1 0 371.525 2.479 20 30 FEEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000423023289 559615448 /nfs/dbraw/zinc/61/54/48/559615448.db2.gz JJZBBRUHBBCKHK-KRWDZBQOSA-N 1 0 367.902 2.128 20 30 FEEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CCC(C[NH2+]CC)CC1 ZINC000423134606 559620353 /nfs/dbraw/zinc/62/03/53/559620353.db2.gz XCRVNCFQZXMFDG-UHFFFAOYSA-N 1 0 370.497 2.145 20 30 FEEDRO C=CCN(CCc1ccccc1)C(=O)C(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000423188535 559622333 /nfs/dbraw/zinc/62/23/33/559622333.db2.gz NYTLBZSRRNFDFZ-UXHICEINSA-N 1 0 369.509 2.092 20 30 FEEDRO C=CCN(CCc1ccco1)C(=O)C(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1 ZINC000423446227 559629414 /nfs/dbraw/zinc/62/94/14/559629414.db2.gz CJVSOBUFIBQSBM-SFHVURJKSA-N 1 0 373.497 2.073 20 30 FEEDRO COc1cc(Br)c(CNC(=O)[C@@H]([NH3+])CCCC#N)cc1OC ZINC000424110115 559655056 /nfs/dbraw/zinc/65/50/56/559655056.db2.gz BZVVZKJXQCEZNO-LBPRGKRZSA-N 1 0 370.247 2.104 20 30 FEEDRO Cc1ccc(NC(=O)NC[C@H]2CCCN(C(=O)[C@@H]([NH3+])CCCC#N)C2)cc1 ZINC000424113893 559655265 /nfs/dbraw/zinc/65/52/65/559655265.db2.gz OXDSWPVQDMCHHS-AEFFLSMTSA-N 1 0 371.485 2.376 20 30 FEEDRO C=CCn1c([C@@H]2CCCS2)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC000424131154 559655593 /nfs/dbraw/zinc/65/55/93/559655593.db2.gz VYEHZHXTCCXQFK-INIZCTEOSA-N 1 0 363.531 2.333 20 30 FEEDRO CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[NH+](C(C)(C)COC)CC1 ZINC000424134115 559655773 /nfs/dbraw/zinc/65/57/73/559655773.db2.gz KIQHYZCLBGGKIO-UHFFFAOYSA-N 1 0 368.485 2.384 20 30 FEEDRO N#CCCC[C@H]([NH3+])C(=O)N[C@H]1CCN(c2ccccc2OC(F)F)C1 ZINC000424150862 559656214 /nfs/dbraw/zinc/65/62/14/559656214.db2.gz ZRPXMFNHPBDTQQ-STQMWFEESA-N 1 0 352.385 2.004 20 30 FEEDRO C=CCC1(C(=O)NCc2ccc(N3CC[NH+](CC)CC3)nc2)CCOCC1 ZINC000424592329 559670520 /nfs/dbraw/zinc/67/05/20/559670520.db2.gz OQAOPLRZKKORBT-UHFFFAOYSA-N 1 0 372.513 2.213 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)NCCc1ccc(OCC[NH+](C)C)cc1 ZINC000425445052 559702609 /nfs/dbraw/zinc/70/26/09/559702609.db2.gz NEXCVSLCNHWYRC-HKUYNNGSSA-N 1 0 361.486 2.060 20 30 FEEDRO C=CCn1cc(CNC(=O)NC[C@H](C2CC2)[N@H+](C)Cc2ccccc2)nn1 ZINC000425496591 559705653 /nfs/dbraw/zinc/70/56/53/559705653.db2.gz AZGBJHGOBBHWHA-LJQANCHMSA-N 1 0 368.485 2.174 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc3cc[nH]c(=O)c3c2)CC1 ZINC000425750317 559717673 /nfs/dbraw/zinc/71/76/73/559717673.db2.gz XXOYDZSGLFLNLU-UHFFFAOYSA-N 1 0 368.437 2.036 20 30 FEEDRO C[C@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000425884137 559724015 /nfs/dbraw/zinc/72/40/15/559724015.db2.gz GFRVFUJOIWSAHW-DLBZAZTESA-N 1 0 370.497 2.458 20 30 FEEDRO CN(CCOCc1ccc(C#N)cc1)C(=O)c1ccc(C[NH+](C)C)nc1 ZINC000426020935 559727898 /nfs/dbraw/zinc/72/78/98/559727898.db2.gz XTOHFCPUJYPBHA-UHFFFAOYSA-N 1 0 352.438 2.304 20 30 FEEDRO C=CCC[C@@H](C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1)c1ccccc1 ZINC000427121869 559748517 /nfs/dbraw/zinc/74/85/17/559748517.db2.gz MNRZIKXCTCPIDR-RBUKOAKNSA-N 1 0 357.498 2.440 20 30 FEEDRO CN(C(C)(C)C[NH+]1CCCCCC1)S(=O)(=O)c1cccnc1C#N ZINC000428366056 559774058 /nfs/dbraw/zinc/77/40/58/559774058.db2.gz FBMPOXULSUGMHA-UHFFFAOYSA-N 1 0 350.488 2.228 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)NC[C@]2(CO)C[C@H]2c2ccc(F)cc2)CC1 ZINC000428591680 559779223 /nfs/dbraw/zinc/77/92/23/559779223.db2.gz RMRYWNFPIXNQKH-ICSRJNTNSA-N 1 0 361.461 2.241 20 30 FEEDRO N#Cc1ccc(O[C@H]2CC[N@@H+](CCC(=O)NCC3CCCCC3)C2)nc1 ZINC000428782494 559783035 /nfs/dbraw/zinc/78/30/35/559783035.db2.gz GVLXMOGPQZXUIC-SFHVURJKSA-N 1 0 356.470 2.493 20 30 FEEDRO COC(=O)c1cccc(OCC[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)c1 ZINC000428783317 559783125 /nfs/dbraw/zinc/78/31/25/559783125.db2.gz MYVLWPYUBLJEIU-SFHVURJKSA-N 1 0 367.405 2.272 20 30 FEEDRO Cc1cc(C)cc(OC[C@@H](O)C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)c1 ZINC000428779714 559783191 /nfs/dbraw/zinc/78/31/91/559783191.db2.gz CZXNRRVNRRKMHB-OALUTQOASA-N 1 0 367.449 2.463 20 30 FEEDRO COCC[N@H+](C)CCCC1CCN(C(=O)NCC2(CC#N)CC2)CC1 ZINC000431049573 559833123 /nfs/dbraw/zinc/83/31/23/559833123.db2.gz ISCCPMDGPMHEIR-UHFFFAOYSA-N 1 0 350.507 2.460 20 30 FEEDRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N[C@@H](CCCC#N)c1ccccc1 ZINC000431285676 559836900 /nfs/dbraw/zinc/83/69/00/559836900.db2.gz UVZAXOURYIJWPF-HKUYNNGSSA-N 1 0 357.502 2.357 20 30 FEEDRO CN(C)c1cc(C#N)cc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)nc2)c1 ZINC000432053903 559851013 /nfs/dbraw/zinc/85/10/13/559851013.db2.gz RNCAGOQAFSOKNP-UHFFFAOYSA-N 1 0 364.453 2.023 20 30 FEEDRO CC(C)[NH+](CCNC(=O)C1CCN(C(=O)c2ccc(C#N)o2)CC1)C(C)C ZINC000432856445 559866432 /nfs/dbraw/zinc/86/64/32/559866432.db2.gz WYEDNFJYRIMFFV-UHFFFAOYSA-N 1 0 374.485 2.238 20 30 FEEDRO CCN1CC[NH+](C[C@@H](C)CNC(=O)[C@H](C#N)CCc2ccccc2)CC1 ZINC000433358540 559878526 /nfs/dbraw/zinc/87/85/26/559878526.db2.gz BUTBCZNDGPFUQS-ICSRJNTNSA-N 1 0 356.514 2.149 20 30 FEEDRO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1ccc(OCC(=O)NCC)c(OC)c1 ZINC000435740670 559929206 /nfs/dbraw/zinc/92/92/06/559929206.db2.gz FUFPWXNPAYOKED-OXQOHEQNSA-N 1 0 362.470 2.281 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000437499542 559965187 /nfs/dbraw/zinc/96/51/87/559965187.db2.gz VLLRQBFLXRSYIC-NQIIRXRSSA-N 1 0 357.498 2.296 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NC[C@@H](C(CC)CC)[NH+]1CCOCC1 ZINC000437626278 559966974 /nfs/dbraw/zinc/96/69/74/559966974.db2.gz IIGIBKNPQZMBHC-FHWLQOOXSA-N 1 0 367.534 2.404 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@H]1CC[N@@H+](CCCOCC)C[C@H]1C ZINC000437735060 559968865 /nfs/dbraw/zinc/96/88/65/559968865.db2.gz JGHIODUNYDBQSP-YRXWBPOGSA-N 1 0 367.534 2.404 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NC1CC[NH+](CCOC(C)C)CC1 ZINC000437986900 559972535 /nfs/dbraw/zinc/97/25/35/559972535.db2.gz NTEOJTYOGDJWKO-WMZOPIPTSA-N 1 0 353.507 2.156 20 30 FEEDRO C[C@@H](NS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1)[C@@H]1CCC[NH2+]C1 ZINC000440359952 560009418 /nfs/dbraw/zinc/00/94/18/560009418.db2.gz QKIUOVPNXGTSCO-ZYHUDNBSSA-N 1 0 361.389 2.243 20 30 FEEDRO CCCCNC(=O)C1([NH2+]CC(=O)N(CC)C[C@H](C)C#N)CCCCC1 ZINC000440892477 560019307 /nfs/dbraw/zinc/01/93/07/560019307.db2.gz GZBXDNTXPHQXFH-MRXNPFEDSA-N 1 0 350.507 2.203 20 30 FEEDRO C[C@H]([NH2+]CCNS(=O)(=O)c1ccc(F)cc1F)c1ccc(C#N)cc1 ZINC000442097799 560043878 /nfs/dbraw/zinc/04/38/78/560043878.db2.gz OTWHPKPVXUQWJF-LBPRGKRZSA-N 1 0 365.405 2.466 20 30 FEEDRO COc1ccc([C@H](C[NH2+][C@@H]2CC[C@H](C#N)C2)N2CCOCC2)cc1OC ZINC000442658754 560054616 /nfs/dbraw/zinc/05/46/16/560054616.db2.gz XFCRMNGGLNBCLK-JQHSSLGASA-N 1 0 359.470 2.359 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNS(=O)(=O)c1ccc2c(c1)OCO2)C(C)C ZINC000444106080 560101929 /nfs/dbraw/zinc/10/19/29/560101929.db2.gz NOCZNJRNMXUSOL-MRXNPFEDSA-N 1 0 366.483 2.392 20 30 FEEDRO C=CC[C@H]1[N@@H+](CC(=O)Nc2cccc(S(N)(=O)=O)c2)CCCC1(C)C ZINC000444775800 560120493 /nfs/dbraw/zinc/12/04/93/560120493.db2.gz OBLZUQMWSHBQPE-MRXNPFEDSA-N 1 0 365.499 2.339 20 30 FEEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2cc(C#N)ccc2Cl)C[C@H]1C ZINC000447229143 560158222 /nfs/dbraw/zinc/15/82/22/560158222.db2.gz GXCZJEFUQPFEET-OCCSQVGLSA-N 1 0 362.861 2.481 20 30 FEEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)C[NH2+][C@H](CO)[C@@H]2CCCO2)c1C#N ZINC000447915633 560172842 /nfs/dbraw/zinc/17/28/42/560172842.db2.gz SDDXDNMMPGRAPU-MSOLQXFVSA-N 1 0 374.485 2.160 20 30 FEEDRO CCN(C[C@H](C)C#N)C(=O)C[N@H+](Cc1ccccc1)C[C@]1(O)CCO[C@@H]1C ZINC000447922451 560173067 /nfs/dbraw/zinc/17/30/67/560173067.db2.gz AOJDJVYNKJRSBK-DBXWQHBBSA-N 1 0 373.497 2.037 20 30 FEEDRO C=C(C)CN(CC)C(=O)C[N@H+](Cc1ccccc1)C[C@]1(O)CCO[C@@H]1C ZINC000447927405 560173453 /nfs/dbraw/zinc/17/34/53/560173453.db2.gz OZIYTZWVEBLRBI-WIYYLYMNSA-N 1 0 360.498 2.453 20 30 FEEDRO COc1cccc([C@H](CNC(=O)c2ccc(C#N)n2C)[NH+]2CCCC2)c1 ZINC000448576728 560190659 /nfs/dbraw/zinc/19/06/59/560190659.db2.gz DIGBZVQUBJMGPN-IBGZPJMESA-N 1 0 352.438 2.472 20 30 FEEDRO Cc1[nH]c(C#N)cc1C(=O)Nc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000448960792 560208911 /nfs/dbraw/zinc/20/89/11/560208911.db2.gz HJLWODAORDVFIX-UHFFFAOYSA-N 1 0 365.437 2.273 20 30 FEEDRO C=CCC[C@H](CO)[NH2+]Cc1cn(-c2ccccc2Br)nn1 ZINC000449697046 560237254 /nfs/dbraw/zinc/23/72/54/560237254.db2.gz JUTJKMBBRWZKMH-GFCCVEGCSA-N 1 0 351.248 2.447 20 30 FEEDRO C=CCC[C@@H](CO)[NH2+]Cc1cn(-c2ccccc2Br)nn1 ZINC000449697047 560237262 /nfs/dbraw/zinc/23/72/62/560237262.db2.gz JUTJKMBBRWZKMH-LBPRGKRZSA-N 1 0 351.248 2.447 20 30 FEEDRO C[C@H](Oc1ccccn1)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000449756312 560239080 /nfs/dbraw/zinc/23/90/80/560239080.db2.gz PZENREQAXVVQMW-INIZCTEOSA-N 1 0 352.438 2.311 20 30 FEEDRO CN(C[C@H]1CC[N@H+](C)C1)C(=O)COc1cccc(Br)c1C#N ZINC000449840281 560242132 /nfs/dbraw/zinc/24/21/32/560242132.db2.gz GIZBNOQPZDSJNQ-LBPRGKRZSA-N 1 0 366.259 2.110 20 30 FEEDRO C[NH+](C)C[C@@H]1CCN(C(=O)COc2cccc(Br)c2C#N)C1 ZINC000449889961 560244323 /nfs/dbraw/zinc/24/43/23/560244323.db2.gz FCWZJZZILDPVEO-LBPRGKRZSA-N 1 0 366.259 2.110 20 30 FEEDRO C[C@H]1C[NH+](CCC2CCN(C(=O)c3ccc(C#N)n3C)CC2)C[C@H](C)O1 ZINC000450067899 560249799 /nfs/dbraw/zinc/24/97/99/560249799.db2.gz QQGPGAFDTNXSIN-HOTGVXAUSA-N 1 0 358.486 2.248 20 30 FEEDRO COC(=O)c1coc(CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000450214917 560254211 /nfs/dbraw/zinc/25/42/11/560254211.db2.gz IOGFZXKGLGNBKJ-UHFFFAOYSA-N 1 0 354.410 2.041 20 30 FEEDRO C=CCC1(C(=O)NCCCC[NH+]2CCN(CCO)CC2)CCCCC1 ZINC000450240711 560255181 /nfs/dbraw/zinc/25/51/81/560255181.db2.gz GXWRWWDNYIUTKI-UHFFFAOYSA-N 1 0 351.535 2.019 20 30 FEEDRO CC(C)[N@@H+]1CCO[C@@H](CN2CCN(c3cccc(Cl)c3C#N)CC2)C1 ZINC000450316595 560258250 /nfs/dbraw/zinc/25/82/50/560258250.db2.gz ZGRDAOLYMSODLH-INIZCTEOSA-N 1 0 362.905 2.443 20 30 FEEDRO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)COc1cccc(Br)c1C#N ZINC000450373623 560260362 /nfs/dbraw/zinc/26/03/62/560260362.db2.gz CZEBEQYYLVAJSI-RYUDHWBXSA-N 1 0 366.259 2.251 20 30 FEEDRO COCC[N@H+](C)CCCC1CCN(S(=O)(=O)CC2(CC#N)CC2)CC1 ZINC000451365144 560302808 /nfs/dbraw/zinc/30/28/08/560302808.db2.gz WBOBUFOYSRWUBX-UHFFFAOYSA-N 1 0 371.547 2.080 20 30 FEEDRO CCC(CC)[C@@H](CNS(=O)(=O)Cc1ccc(F)cc1C#N)[NH+](C)C ZINC000451432952 560306846 /nfs/dbraw/zinc/30/68/46/560306846.db2.gz QMANFJSPHDPKTF-QGZVFWFLSA-N 1 0 355.479 2.483 20 30 FEEDRO CC(=O)N1CCC[N@H+](C[C@@H]2CCCN(Cc3cccc(C#N)c3F)C2)CC1 ZINC000451529625 560312501 /nfs/dbraw/zinc/31/25/01/560312501.db2.gz NMQOQRONMDZODS-SFHVURJKSA-N 1 0 372.488 2.464 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]CC(=O)N1CCC[C@@H]1c1cc(OC)ccc1OC ZINC000451595186 560316594 /nfs/dbraw/zinc/31/65/94/560316594.db2.gz COZWMKMNGUSIGI-KURKYZTESA-N 1 0 360.454 2.300 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H](C)C(=O)Nc1cccc(C(=O)N(CC)CC)c1 ZINC000451604546 560317035 /nfs/dbraw/zinc/31/70/35/560317035.db2.gz HKFMLJMETWHZHB-OLMNPRSZSA-N 1 0 359.470 2.429 20 30 FEEDRO C[NH+](C)CC1(NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CCC1 ZINC000451635795 560318434 /nfs/dbraw/zinc/31/84/34/560318434.db2.gz RSFRMVZRCMRPEC-CQSZACIVSA-N 1 0 374.872 2.165 20 30 FEEDRO CCN(CCC#N)S(=O)(=O)NCC1([N@H+](C)Cc2ccccc2)CCC1 ZINC000451796258 560329075 /nfs/dbraw/zinc/32/90/75/560329075.db2.gz KTSWLDCYQYRGKH-UHFFFAOYSA-N 1 0 364.515 2.111 20 30 FEEDRO C=C(C)Cn1c([C@@H](C)OCCOC)nnc1N1CC[NH+]([C@H](C)CC)CC1 ZINC000453450828 560386991 /nfs/dbraw/zinc/38/69/91/560386991.db2.gz IEZSCVWHZRGYJI-IAGOWNOFSA-N 1 0 365.522 2.499 20 30 FEEDRO C=C(C)Cn1c(N2CC[N@@H+](CCOC)[C@@H](C)C2)nnc1[C@]1(C)CCCO1 ZINC000453472503 560387729 /nfs/dbraw/zinc/38/77/29/560387729.db2.gz XVEOEQHBLVXFON-LPHOPBHVSA-N 1 0 363.506 2.037 20 30 FEEDRO N#CCc1ccc(NC(=O)C(=O)N2CC[NH+](C3CCCC3)CC2)c(Cl)c1 ZINC000453598902 560390457 /nfs/dbraw/zinc/39/04/57/560390457.db2.gz KDTMIXDJVHHPMZ-UHFFFAOYSA-N 1 0 374.872 2.431 20 30 FEEDRO C[NH+]1CCC(CNC(=O)C(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)CC1 ZINC000453652837 560393530 /nfs/dbraw/zinc/39/35/30/560393530.db2.gz KVHJQDAMVFUOHO-UHFFFAOYSA-N 1 0 372.469 2.132 20 30 FEEDRO CC(C)[NH+](CCCNC(=O)C(=O)Nc1cnc(C#N)c(Cl)c1)C(C)C ZINC000453665533 560394721 /nfs/dbraw/zinc/39/47/21/560394721.db2.gz HMMJSMPKQOHTSR-UHFFFAOYSA-N 1 0 365.865 2.170 20 30 FEEDRO C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)Nc1sc(C(C)(C)C)cc1C#N ZINC000453705465 560398332 /nfs/dbraw/zinc/39/83/32/560398332.db2.gz HKUPDNJIHYQCJQ-GFCCVEGCSA-N 1 0 362.499 2.408 20 30 FEEDRO CCN(CCC[NH+](CC)CC)C(=O)C(=O)Nc1cnc(C#N)c(Cl)c1 ZINC000453747251 560401286 /nfs/dbraw/zinc/40/12/86/560401286.db2.gz XQDRZTBEIHUGLP-UHFFFAOYSA-N 1 0 365.865 2.126 20 30 FEEDRO Cc1cc(C#N)cc(NC(=O)C(=O)N[C@H](C[NH+](C)C)c2ccc(F)cc2)c1 ZINC000453750808 560401502 /nfs/dbraw/zinc/40/15/02/560401502.db2.gz LYMLOOMLBYVUJV-GOSISDBHSA-N 1 0 368.412 2.363 20 30 FEEDRO CC[NH+]1CCN(CC(C)(C)NC(=O)Nc2cc(C#N)ccc2OC)CC1 ZINC000454635838 560452183 /nfs/dbraw/zinc/45/21/83/560452183.db2.gz DQEWINFDGGOALY-UHFFFAOYSA-N 1 0 359.474 2.104 20 30 FEEDRO C[C@@H](CNC(=O)C(C)(C)Cc1ccc(C#N)cc1)C[NH+]1CCN(C)CC1 ZINC000455656885 560490743 /nfs/dbraw/zinc/49/07/43/560490743.db2.gz CDQHFJXSAZXQHD-KRWDZBQOSA-N 1 0 356.514 2.127 20 30 FEEDRO Cc1ccc(NC(=O)N(CCC#N)CCC[NH+](C)C)c(S(C)(=O)=O)c1 ZINC000455936317 560501094 /nfs/dbraw/zinc/50/10/94/560501094.db2.gz PJHLXCCUVQUNDW-UHFFFAOYSA-N 1 0 366.487 2.098 20 30 FEEDRO Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NC(C)(C)CCC[NH+](C)C ZINC000456202571 560511010 /nfs/dbraw/zinc/51/10/10/560511010.db2.gz MXPSWIUEJTYIAC-UHFFFAOYSA-N 1 0 370.501 2.387 20 30 FEEDRO CC[C@@H]1C[N@H+](CC)CCN1C(=O)CCc1c(C)nc2c(C#N)cnn2c1C ZINC000456357357 560517309 /nfs/dbraw/zinc/51/73/09/560517309.db2.gz SHLPHQNZDYUFAT-QGZVFWFLSA-N 1 0 368.485 2.093 20 30 FEEDRO C=CCC[C@H](CO)NC(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000457447156 560567395 /nfs/dbraw/zinc/56/73/95/560567395.db2.gz XZDPRGUODROLSW-MJGOQNOKSA-N 1 0 361.486 2.458 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1NC(=O)NC[C@@H](c1ccccc1OC)[NH+]1CCCC1 ZINC000457481041 560569547 /nfs/dbraw/zinc/56/95/47/560569547.db2.gz LOQRGFHABTZTMZ-SQNIBIBYSA-N 1 0 359.470 2.475 20 30 FEEDRO CC(C)(CC#N)CNC(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000457714177 560583479 /nfs/dbraw/zinc/58/34/79/560583479.db2.gz KWWSTEUVTSPMGJ-UHFFFAOYSA-N 1 0 371.529 2.433 20 30 FEEDRO C=CCC[C@@H](CO)NC(=O)NCCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000457742207 560585190 /nfs/dbraw/zinc/58/51/90/560585190.db2.gz UURLEIVWHZTRQS-IBGZPJMESA-N 1 0 374.529 2.133 20 30 FEEDRO N#Cc1ncn(-c2ccccc2NC(=O)C2C[NH+](C3CCCCC3)C2)n1 ZINC000457807916 560588725 /nfs/dbraw/zinc/58/87/25/560588725.db2.gz MGUZXNBWSNRWEQ-UHFFFAOYSA-N 1 0 350.426 2.342 20 30 FEEDRO C[NH+](C)CC(C)(C)NC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000458601856 560635253 /nfs/dbraw/zinc/63/52/53/560635253.db2.gz LYIZKMVKCDCQAI-UHFFFAOYSA-N 1 0 359.474 2.283 20 30 FEEDRO C=CC[C@H](CO)CNC(=O)NC[C@@H](c1ccc(SC)cc1)[NH+](C)C ZINC000458878924 560653603 /nfs/dbraw/zinc/65/36/03/560653603.db2.gz BULUXJIBPGSLNL-YOEHRIQHSA-N 1 0 351.516 2.495 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1NC(=O)N(Cc1ccncc1)C[C@@H]1CCC[N@H+]1CC ZINC000459026860 560662380 /nfs/dbraw/zinc/66/23/80/560662380.db2.gz MOYJMPPKAGMPLW-OTWHNJEPSA-N 1 0 358.486 2.421 20 30 FEEDRO CC(C)[C@](C)([NH2+]CC(=O)Nc1ccccc1SC[C@H](C)C#N)C(N)=O ZINC000459491465 560689558 /nfs/dbraw/zinc/68/95/58/560689558.db2.gz XKSAJWDIRBLJKH-ACJLOTCBSA-N 1 0 362.499 2.366 20 30 FEEDRO CON1CCC([N@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCC3)CC1 ZINC000459579669 560695665 /nfs/dbraw/zinc/69/56/65/560695665.db2.gz KRXMQQMFBGQOTJ-UHFFFAOYSA-N 1 0 362.499 2.395 20 30 FEEDRO C=CCN(C)C(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000459912472 560718880 /nfs/dbraw/zinc/71/88/80/560718880.db2.gz YBFYRUVKJUJBPP-RBUKOAKNSA-N 1 0 355.482 2.144 20 30 FEEDRO CC[NH+](CC)CC1CCN(C(=O)C(=O)N(C)Cc2ccc(C#N)cc2)CC1 ZINC000459937271 560721584 /nfs/dbraw/zinc/72/15/84/560721584.db2.gz FUWMGILRTPLDAA-UHFFFAOYSA-N 1 0 370.497 2.097 20 30 FEEDRO CCOCc1nnc(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n1CC ZINC000460229854 560738724 /nfs/dbraw/zinc/73/87/24/560738724.db2.gz AUOHXMIXFSYYHU-UHFFFAOYSA-N 1 0 368.485 2.418 20 30 FEEDRO C=C(C)Cn1c([C@H](C)OCCOC)nnc1N1CCC[N@@H+](CC)CC1 ZINC000460553991 560746129 /nfs/dbraw/zinc/74/61/29/560746129.db2.gz ILXYNPRHBRVNGM-INIZCTEOSA-N 1 0 351.495 2.110 20 30 FEEDRO C=C(C)Cn1c(Cn2nc(C)cc2C)nnc1N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000460960198 560757139 /nfs/dbraw/zinc/75/71/39/560757139.db2.gz QTCQFMMFJFNTTA-GOSISDBHSA-N 1 0 369.517 2.389 20 30 FEEDRO N#Cc1ccc([C@@H]([NH2+]C[C@@H]2CCN(c3ccccc3F)C2)C(N)=O)cc1 ZINC000461061326 560760443 /nfs/dbraw/zinc/76/04/43/560760443.db2.gz GEGYABJRROEWPH-HNAYVOBHSA-N 1 0 352.413 2.340 20 30 FEEDRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)N[C@@H]2CCC[C@H]2C#N)CC1 ZINC000461962756 560789828 /nfs/dbraw/zinc/78/98/28/560789828.db2.gz GZCVCUOPCKTHSC-FXAWDEMLSA-N 1 0 369.513 2.316 20 30 FEEDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)N1CC(Oc2ccc(C#N)cc2)C1 ZINC000462139730 560798870 /nfs/dbraw/zinc/79/88/70/560798870.db2.gz ZCJVCXZOAJLKEF-JKSUJKDBSA-N 1 0 356.470 2.451 20 30 FEEDRO C[C@H](C(=O)NC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1)c1cccc(C#N)c1 ZINC000462270435 560803788 /nfs/dbraw/zinc/80/37/88/560803788.db2.gz NSDKBQBDODGHMZ-ZLGUVYLKSA-N 1 0 363.461 2.413 20 30 FEEDRO C[C@@H]1CN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)C[C@@H]1[NH+](C)C ZINC000465181739 560859820 /nfs/dbraw/zinc/85/98/20/560859820.db2.gz DWMHTZXCXIKYMU-OGWOLHLISA-N 1 0 373.476 2.258 20 30 FEEDRO C=CC[C@H](CC)NC(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000466378127 560885437 /nfs/dbraw/zinc/88/54/37/560885437.db2.gz JYRJYTVKWWWSRT-SFHVURJKSA-N 1 0 364.534 2.365 20 30 FEEDRO Cc1cccc(S(=O)(=O)NCc2ccc(CC[NH+](C)C)cc2)c1C#N ZINC000466831630 560897014 /nfs/dbraw/zinc/89/70/14/560897014.db2.gz ODEVHZPIDTZRIW-UHFFFAOYSA-N 1 0 357.479 2.449 20 30 FEEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000470306222 560978283 /nfs/dbraw/zinc/97/82/83/560978283.db2.gz DLIMVZTYRRUPOE-UHFFFAOYSA-N 1 0 357.502 2.337 20 30 FEEDRO Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N3CC[N@@H+](C)CC[C@H]3C)C2)n1 ZINC000471953476 561015009 /nfs/dbraw/zinc/01/50/09/561015009.db2.gz QLEADHPNSNRUTK-SJLPKXTDSA-N 1 0 355.486 2.031 20 30 FEEDRO C=CC[C@H](CO)CNC(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000472461524 561027006 /nfs/dbraw/zinc/02/70/06/561027006.db2.gz IFUARXUEMMUTSJ-GRTSSRMGSA-N 1 0 363.424 2.276 20 30 FEEDRO Cn1ncc(C(=O)N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)c1C#N ZINC000476554429 561122330 /nfs/dbraw/zinc/12/23/30/561122330.db2.gz XRIANTJEULJPSM-UHFFFAOYSA-N 1 0 363.465 2.420 20 30 FEEDRO O=C1c2ccccc2C(=O)N1CC#CC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000528479156 562331442 /nfs/dbraw/zinc/33/14/42/562331442.db2.gz VQBPOWASPYEBLW-OTWHNJEPSA-N 1 0 364.445 2.223 20 30 FEEDRO C[N@@H+]1CCN(C[C@@H](O)COc2ccccc2C#N)C[C@@H]1Cc1ccccc1 ZINC000528495048 562332323 /nfs/dbraw/zinc/33/23/23/562332323.db2.gz CGDBNWSTSCDEHQ-LEWJYISDSA-N 1 0 365.477 2.157 20 30 FEEDRO CC1(C)[C@H]([NH2+]CC#CCN2C(=O)c3ccccc3C2=O)[C@@H]2CCCO[C@@H]21 ZINC000528518944 562333591 /nfs/dbraw/zinc/33/35/91/562333591.db2.gz KVSWGDSDUREWSR-KSZLIROESA-N 1 0 352.434 2.079 20 30 FEEDRO CC(C)OCCOC1CC[NH+](C[C@@H](O)COc2ccccc2C#N)CC1 ZINC000528522001 562333881 /nfs/dbraw/zinc/33/38/81/562333881.db2.gz UIQAMJMUWBSGKM-GOSISDBHSA-N 1 0 362.470 2.204 20 30 FEEDRO C=CCN1CC[C@@H]([NH+]2CCC(Cc3nc(C4CCOCC4)no3)CC2)C1=O ZINC000528714264 562343408 /nfs/dbraw/zinc/34/34/08/562343408.db2.gz FFYOVRYZJWXSQJ-QGZVFWFLSA-N 1 0 374.485 2.005 20 30 FEEDRO Cc1ccc(N2CC[C@@H]([NH2+]C[C@H](O)COc3ccccc3C#N)C2=O)cc1 ZINC000530229900 562403087 /nfs/dbraw/zinc/40/30/87/562403087.db2.gz BFXDPYZNBOLABH-RBUKOAKNSA-N 1 0 365.433 2.002 20 30 FEEDRO CC(=O)N1CC[C@H]([NH2+]C[C@H](O)COc2ccccc2C#N)c2ccccc21 ZINC000530233606 562403256 /nfs/dbraw/zinc/40/32/56/562403256.db2.gz YNHXIEGZZKXVFA-HKUYNNGSSA-N 1 0 365.433 2.385 20 30 FEEDRO CC(C)[NH+]1CCN([C@H]2CCN(C(=O)C3(c4cccc(C#N)c4)CC3)C2)CC1 ZINC000533256638 562503009 /nfs/dbraw/zinc/50/30/09/562503009.db2.gz HKXAVJYHLQOQTB-FQEVSTJZSA-N 1 0 366.509 2.217 20 30 FEEDRO C=CC1CC[NH+]([C@H](C)C(=O)NCc2ccc(CN3CCOCC3)cc2)CC1 ZINC000533423690 562508221 /nfs/dbraw/zinc/50/82/21/562508221.db2.gz SHGREOJDWRZMGQ-GOSISDBHSA-N 1 0 371.525 2.422 20 30 FEEDRO C=C(C)[C@@H](CC(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1)OCC ZINC000534427237 562534076 /nfs/dbraw/zinc/53/40/76/562534076.db2.gz FORHSXIUQAZYBO-VQTJNVASSA-N 1 0 359.514 2.463 20 30 FEEDRO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3CC=C(C(C)(C)C)CC3)CC2)o1 ZINC000534659497 562539405 /nfs/dbraw/zinc/53/94/05/562539405.db2.gz YCGNZWOAGWZRMU-UHFFFAOYSA-N 1 0 371.485 2.182 20 30 FEEDRO N#Cc1cccc(CC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)c1 ZINC000536432766 562575248 /nfs/dbraw/zinc/57/52/48/562575248.db2.gz VFGFLAUAZDDEJX-LEWJYISDSA-N 1 0 363.461 2.100 20 30 FEEDRO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(-n2ccnn2)cc1 ZINC000537127565 562586139 /nfs/dbraw/zinc/58/61/39/562586139.db2.gz VSSYOZIMFUDORX-ZRGWGRIASA-N 1 0 354.458 2.361 20 30 FEEDRO C[C@H](C(=O)N(C)C[C@@H]1COc2ccccc2O1)[NH+]1CCC(CC#N)CC1 ZINC000541025130 562600804 /nfs/dbraw/zinc/60/08/04/562600804.db2.gz TYASRWSESMIAEW-NVXWUHKLSA-N 1 0 357.454 2.299 20 30 FEEDRO COc1cc(C#N)ccc1NC(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000546002514 562632421 /nfs/dbraw/zinc/63/24/21/562632421.db2.gz IYXDGIXBQPQUNC-ZWKOTPCHSA-N 1 0 372.469 2.456 20 30 FEEDRO C=CCOc1ccccc1CNC(=O)C(=O)N1CCC(CC)([NH+](C)C)CC1 ZINC000636699628 567838481 /nfs/dbraw/zinc/83/84/81/567838481.db2.gz WLTVOZMKGQCRTG-UHFFFAOYSA-N 1 0 373.497 2.200 20 30 FEEDRO C[NH+](C)[C@@H](CNC(=O)N1CCN(CCC#N)CC1)c1ccc(Cl)cc1 ZINC000602264976 567961377 /nfs/dbraw/zinc/96/13/77/567961377.db2.gz DBIBTFSHFOPUHB-KRWDZBQOSA-N 1 0 363.893 2.184 20 30 FEEDRO C[C@@H]1C[N@@H+](C[C@@H](O)COc2cccc(C(F)(F)F)c2)C[C@H](C)N1CC#N ZINC000602854524 568002087 /nfs/dbraw/zinc/00/20/87/568002087.db2.gz CKZNTDQFEQVXLO-IJEWVQPXSA-N 1 0 371.403 2.363 20 30 FEEDRO C[C@@H]1C[NH+](C[C@@H](O)COc2ccccc2C(F)(F)F)C[C@@H](C)N1CC#N ZINC000602856037 568002424 /nfs/dbraw/zinc/00/24/24/568002424.db2.gz YCPUHPBNCZRCGQ-RBSFLKMASA-N 1 0 371.403 2.363 20 30 FEEDRO CN(CC(=O)NCc1ccc(C(=O)N2CCCC2)cc1)[C@H]1CCC[C@@H]1C#N ZINC000602975379 568035919 /nfs/dbraw/zinc/03/59/19/568035919.db2.gz AETOOMGBNMPNOO-MOPGFXCFSA-N 1 0 368.481 2.163 20 30 FEEDRO C[C@H](c1cccc(NC(=O)N2CCN(CCC#N)CC2)c1)N1CCOCC1 ZINC000602831819 568048023 /nfs/dbraw/zinc/04/80/23/568048023.db2.gz IIIWJQNUBVCNJU-QGZVFWFLSA-N 1 0 371.485 2.143 20 30 FEEDRO C[C@@H]1C[NH+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C[C@@H](C)N1CC#N ZINC000602859836 568049329 /nfs/dbraw/zinc/04/93/29/568049329.db2.gz GVYPCKNBZNPNJJ-ZIAGYGMSSA-N 1 0 371.510 2.355 20 30 FEEDRO C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2C(F)(F)F)C[C@@H](C)N1CC#N ZINC000603087990 568059365 /nfs/dbraw/zinc/05/93/65/568059365.db2.gz CFNDHGFIIFTBOA-KBUPBQIOSA-N 1 0 374.451 2.340 20 30 FEEDRO C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)n1cc(CCC#N)nn1 ZINC000603190677 568072044 /nfs/dbraw/zinc/07/20/44/568072044.db2.gz DAAMQFJQKOGPNQ-MRXNPFEDSA-N 1 0 366.469 2.076 20 30 FEEDRO C=CC(C)(C)CCNC(=O)C(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000636853214 568141140 /nfs/dbraw/zinc/14/11/40/568141140.db2.gz NXHKZYYIUULIRQ-MRXNPFEDSA-N 1 0 372.513 2.442 20 30 FEEDRO C[N@H+](CC1CC1)C[C@@H]1CCN(S(=O)(=O)Cc2ccc(F)cc2C#N)C1 ZINC000568951290 568255046 /nfs/dbraw/zinc/25/50/46/568255046.db2.gz UUFIZMKQHHQBHB-HNNXBMFYSA-N 1 0 365.474 2.191 20 30 FEEDRO CC(C)[NH+]1CCN(c2ccc(C(=O)N[C@]3(C#N)CCSC3)cc2)CC1 ZINC000604536788 568308958 /nfs/dbraw/zinc/30/89/58/568308958.db2.gz AILLPBXDFGARBK-IBGZPJMESA-N 1 0 358.511 2.346 20 30 FEEDRO CC(C)[C@H](C#N)N1CC[NH+](CCC(=O)N2CCc3sccc3C2)CC1 ZINC000609486774 568346533 /nfs/dbraw/zinc/34/65/33/568346533.db2.gz RBLCTCNBSBHLTM-KRWDZBQOSA-N 1 0 360.527 2.189 20 30 FEEDRO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C1 ZINC000556885855 674426202 /nfs/dbraw/zinc/42/62/02/674426202.db2.gz PSIGZJRGYGZCSE-PKOBYXMFSA-N 1 0 361.511 2.472 20 30 FEEDRO N#Cc1csc(C[NH2+]C[C@H]2CCN(S(=O)(=O)c3cccs3)C2)c1 ZINC000557392401 674447679 /nfs/dbraw/zinc/44/76/79/674447679.db2.gz SSPHYCSBEFWFRM-GFCCVEGCSA-N 1 0 367.521 2.482 20 30 FEEDRO C[C@@H](c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000736194869 599308842 /nfs/dbraw/zinc/30/88/42/599308842.db2.gz CRPSPDNSXHVRQB-AWEZNQCLSA-N 1 0 360.425 2.017 20 30 FEEDRO C[C@@H]([NH2+][C@@H](C)C(=O)NC1(C#N)CCCCC1)c1cccc(-c2nn[nH]n2)c1 ZINC000820413290 599389585 /nfs/dbraw/zinc/38/95/85/599389585.db2.gz PMNGLMNMYYUGRX-KGLIPLIRSA-N 1 0 367.457 2.248 20 30 FEEDRO N#Cc1ccc(C(=O)O[C@@H]2CCCN(c3cc[nH+]c(N)n3)C2)cc1Cl ZINC000810770148 674560379 /nfs/dbraw/zinc/56/03/79/674560379.db2.gz NJDAWVIMNIUZBN-CYBMUJFWSA-N 1 0 357.801 2.410 20 30 FEEDRO C#C[C@H](NC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)c1ccc(Cl)cc1 ZINC000811914190 674638973 /nfs/dbraw/zinc/63/89/73/674638973.db2.gz DEBJLVBVEPMOJU-KRWDZBQOSA-N 1 0 362.905 2.340 20 30 FEEDRO C#C[C@H](NC(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1)c1ccc(Cl)cc1 ZINC000811890653 674636170 /nfs/dbraw/zinc/63/61/70/674636170.db2.gz XFJFLBXKHGAHOJ-QAPCUYQASA-N 1 0 362.905 2.197 20 30 FEEDRO CC(=NOC1CCC1)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000812236647 674659103 /nfs/dbraw/zinc/65/91/03/674659103.db2.gz PVVSSGYFEGJADL-UHFFFAOYSA-N 1 0 353.488 2.210 20 30 FEEDRO C=C(C[NH+](C)C)C(=O)Nc1nc2c(s1)CN(C(=O)OC(C)(C)C)CC2 ZINC000813447133 674745890 /nfs/dbraw/zinc/74/58/90/674745890.db2.gz HVTPYYJJBIISDH-UHFFFAOYSA-N 1 0 366.487 2.493 20 30 FEEDRO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CC[C@H](c2nnc[nH]2)C1 ZINC000563022174 674836132 /nfs/dbraw/zinc/83/61/32/674836132.db2.gz PGDMTQDXUBHQBW-MNOVXSKESA-N 1 0 356.455 2.043 20 30 FEEDRO CN(CCC#N)C[C@@H](O)C[NH2+]CCc1nc2cc(Cl)ccc2s1 ZINC000563343269 674874640 /nfs/dbraw/zinc/87/46/40/674874640.db2.gz KYSALIDENGKTRD-ZDUSSCGKSA-N 1 0 352.891 2.288 20 30 FEEDRO C#CC[N@H+](C)CCCNS(=O)(=O)c1ccc2nc(Cl)sc2c1 ZINC000815082281 674913893 /nfs/dbraw/zinc/91/38/93/674913893.db2.gz IYAWENHPHGBXFP-UHFFFAOYSA-N 1 0 357.888 2.183 20 30 FEEDRO C#CC[N@H+](C)CCCNS(=O)(=O)c1ccc(C(F)(F)F)cc1F ZINC000815082378 674913902 /nfs/dbraw/zinc/91/39/02/674913902.db2.gz NTYPDIXRTOSZBL-UHFFFAOYSA-N 1 0 352.353 2.078 20 30 FEEDRO C#CC[N@@H+](C)CCCNS(=O)(=O)c1cc(C(=O)CC)ccc1Cl ZINC000815082457 674913908 /nfs/dbraw/zinc/91/39/08/674913908.db2.gz SAAFOOGFIAMKMH-UHFFFAOYSA-N 1 0 356.875 2.166 20 30 FEEDRO CC[C@@H]1[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)CCN1c1snc(C)c1C#N ZINC001049004921 675020734 /nfs/dbraw/zinc/02/07/34/675020734.db2.gz HDHXVOVFXWHRPL-UHOFOFEASA-N 1 0 361.515 2.139 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]C[C@@H](O)COc1c(OC)cccc1OC ZINC000564862752 675069909 /nfs/dbraw/zinc/06/99/09/675069909.db2.gz GDZXYUYRBHGORF-RKVPGOIHSA-N 1 0 351.443 2.014 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)NC[C@H](O)c2c(Cl)cccc2Cl)CC1 ZINC000077647472 670570754 /nfs/dbraw/zinc/57/07/54/670570754.db2.gz KPZMFLKXUVWXQP-HNNXBMFYSA-N 1 0 355.265 2.488 20 30 FEEDRO CN(CCC#N)C[C@H](O)C[NH2+][C@H]1CCC[C@H]1Oc1cc(F)cc(F)c1 ZINC000570155551 670669304 /nfs/dbraw/zinc/66/93/04/670669304.db2.gz NIBCIUWXTGKUEJ-BPQIPLTHSA-N 1 0 353.413 2.061 20 30 FEEDRO CC[NH+]=C(NCCc1nc(C(F)(F)F)cs1)N1CCC(O)CC1 ZINC000086652095 670684589 /nfs/dbraw/zinc/68/45/89/670684589.db2.gz FMXJFXOVUZVKQX-UHFFFAOYSA-N 1 0 350.410 2.127 20 30 FEEDRO CN(C)c1nc(CO[NH+]=C(N)c2ccc(N3CCCCC3)cc2)ns1 ZINC000089739103 670705938 /nfs/dbraw/zinc/70/59/38/670705938.db2.gz HTQUFIQAJWMHEK-UHFFFAOYSA-N 1 0 360.487 2.432 20 30 FEEDRO CN(C)[C@@H](C[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)C1CCCCC1 ZINC000571073762 670811897 /nfs/dbraw/zinc/81/18/97/670811897.db2.gz AYGWFMGADBQQOR-IBGZPJMESA-N 1 0 363.527 2.432 20 30 FEEDRO C[C@]1(CO)CCC[N@@H+]1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000571391436 670866600 /nfs/dbraw/zinc/86/66/00/670866600.db2.gz CZEGMVCPJCOTMB-QGZVFWFLSA-N 1 0 354.372 2.020 20 30 FEEDRO C[NH+]=C(NCc1nc(C)cs1)N1CCN(c2cccc(OC)c2)CC1 ZINC000114085111 670889101 /nfs/dbraw/zinc/88/91/01/670889101.db2.gz YHODJAGFISFRDL-UHFFFAOYSA-N 1 0 359.499 2.358 20 30 FEEDRO N#Cc1c(Br)cccc1S(=O)(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000571881486 670936182 /nfs/dbraw/zinc/93/61/82/670936182.db2.gz QTJGKMVSGLOKGU-NSHDSACASA-N 1 0 372.288 2.131 20 30 FEEDRO N#Cc1c(Br)cccc1S(=O)(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000565891913 675158975 /nfs/dbraw/zinc/15/89/75/675158975.db2.gz IMEAJJBUXAEDOI-CYBMUJFWSA-N 1 0 372.288 2.117 20 30 FEEDRO C=CCOc1ccc(CN2CCC[C@H](CS(N)(=O)=O)C2)cc1Cl ZINC000572024187 670952665 /nfs/dbraw/zinc/95/26/65/670952665.db2.gz CXYSIXBVXWDEJI-AWEZNQCLSA-N 1 0 358.891 2.405 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2CCC[C@H](CC[NH3+])C2)cc1Br ZINC000574518985 671249449 /nfs/dbraw/zinc/24/94/49/671249449.db2.gz ZPZXQYIMVPSMKT-LLVKDONJSA-N 1 0 372.288 2.070 20 30 FEEDRO N#CCc1ccc(CS(=O)(=O)N2CCc3ccccc3[C@@H]2C[NH3+])cc1 ZINC000575922426 671330963 /nfs/dbraw/zinc/33/09/63/671330963.db2.gz YAZVLPATMJPNQR-IBGZPJMESA-N 1 0 355.463 2.141 20 30 FEEDRO N#CCc1ccc(CS(=O)(=O)N2CCc3ccccc3[C@H]2C[NH3+])cc1 ZINC000575922427 671331116 /nfs/dbraw/zinc/33/11/16/671331116.db2.gz YAZVLPATMJPNQR-LJQANCHMSA-N 1 0 355.463 2.141 20 30 FEEDRO CCC(CC)[C@H]1C[C@H]([NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)CCO1 ZINC000577099574 671416705 /nfs/dbraw/zinc/41/67/05/671416705.db2.gz DPRBJSSOISJIFW-IAGOWNOFSA-N 1 0 365.499 2.300 20 30 FEEDRO N#Cc1cncc(S(=O)(=O)N(CC[NH+]2CCCC2)c2ccccc2)c1 ZINC000579482287 671739460 /nfs/dbraw/zinc/73/94/60/671739460.db2.gz MVGRVULXEMDAMI-UHFFFAOYSA-N 1 0 356.451 2.244 20 30 FEEDRO N#Cc1ccc(OC[C@@H](O)C[NH2+][C@@H]2CCOC3(CCSCC3)C2)cc1 ZINC000580543549 671816898 /nfs/dbraw/zinc/81/68/98/671816898.db2.gz HUUZDDKKVFZWFO-SJORKVTESA-N 1 0 362.495 2.332 20 30 FEEDRO C=CCN1CCC([NH2+]C[C@@H](O)COc2cccc(Br)c2)CC1 ZINC000580553182 671817701 /nfs/dbraw/zinc/81/77/01/671817701.db2.gz VSLJBBPLFYQLDO-MRXNPFEDSA-N 1 0 369.303 2.429 20 30 FEEDRO CC[C@H](C)NC(=[NH2+])NCc1ccc(Br)cc1N1CCOCC1 ZINC000119069212 671891489 /nfs/dbraw/zinc/89/14/89/671891489.db2.gz ABECDZWTFDLPFG-LBPRGKRZSA-N 1 0 369.307 2.489 20 30 FEEDRO N#CCSCC(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000120348644 671923303 /nfs/dbraw/zinc/92/33/03/671923303.db2.gz AJMSWMXQVJOWCY-UHFFFAOYSA-N 1 0 358.511 2.092 20 30 FEEDRO COCC[N@H+]1[C@H](C)CN(CC(=O)Nc2sc(C)c(C)c2C#N)C[C@@H]1C ZINC000129394075 672062020 /nfs/dbraw/zinc/06/20/20/672062020.db2.gz TYYWARUUPLCOQS-BETUJISGSA-N 1 0 364.515 2.216 20 30 FEEDRO C#CCOCCC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000133825708 672115811 /nfs/dbraw/zinc/11/58/11/672115811.db2.gz DNRIPUFISYLONM-MRXNPFEDSA-N 1 0 350.846 2.166 20 30 FEEDRO C#CCOc1ccc(Br)cc1C[NH2+]C[C@]1(CCO)CCOC1 ZINC000134438685 672122871 /nfs/dbraw/zinc/12/28/71/672122871.db2.gz CIAWLLJPJCVAHT-KRWDZBQOSA-N 1 0 368.271 2.340 20 30 FEEDRO CCNC(=O)C(C)(C)CNC(=[NH2+])NCc1ccc(OC(F)(F)F)cc1 ZINC000157401779 672258488 /nfs/dbraw/zinc/25/84/88/672258488.db2.gz LWXRXHQFGQKDMD-UHFFFAOYSA-N 1 0 360.380 2.152 20 30 FEEDRO CC(C)(C)OC(=O)N1CCN2C(NCCc3ccsc3)=[NH+]C[C@H]2C1 ZINC000177001874 672379006 /nfs/dbraw/zinc/37/90/06/672379006.db2.gz MSHBFISLWIEFPO-AWEZNQCLSA-N 1 0 350.488 2.171 20 30 FEEDRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1c(Cl)cc(C#N)cc1Cl ZINC000611094689 676016895 /nfs/dbraw/zinc/01/68/95/676016895.db2.gz VBUOITFMJAMJDC-NSHDSACASA-N 1 0 355.269 2.231 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N2CCC[C@H](CCC(=O)OCC)C2)CC1 ZINC000179033553 672398379 /nfs/dbraw/zinc/39/83/79/672398379.db2.gz RJQGPAGKOYUHPI-MRXNPFEDSA-N 1 0 351.491 2.402 20 30 FEEDRO C=CCc1cc(C[NH2+][C@@H](CCSC)C(=O)N(C)C)cc(OC)c1O ZINC000588932410 672494939 /nfs/dbraw/zinc/49/49/39/672494939.db2.gz ARPNCHSYOZURJK-HNNXBMFYSA-N 1 0 352.500 2.429 20 30 FEEDRO C[N@@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)CSCc1ccc(C#N)cc1 ZINC000590402444 672579226 /nfs/dbraw/zinc/57/92/26/672579226.db2.gz UGDDQPCEAASZBH-MSOLQXFVSA-N 1 0 359.495 2.113 20 30 FEEDRO N#Cc1cc(Cl)c(C(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)c(Cl)c1 ZINC000590774473 672616759 /nfs/dbraw/zinc/61/67/59/672616759.db2.gz CETDLGQBDNCNAX-GFCCVEGCSA-N 1 0 356.253 2.442 20 30 FEEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000591292097 672666679 /nfs/dbraw/zinc/66/66/79/672666679.db2.gz HCWFFQAUCCEXNM-ZIAGYGMSSA-N 1 0 360.483 2.217 20 30 FEEDRO CC(C)[C@H]1OCCC[C@H]1C[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000591749259 672707464 /nfs/dbraw/zinc/70/74/64/672707464.db2.gz KODVMMIDLPDYIN-FUHWJXTLSA-N 1 0 350.484 2.373 20 30 FEEDRO CC(C)OC1CCC([NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)CC1 ZINC000591757090 672708382 /nfs/dbraw/zinc/70/83/82/672708382.db2.gz YFGDPIOKIJVIRI-UHFFFAOYSA-N 1 0 351.472 2.053 20 30 FEEDRO C=C(C)CN(CC)C(=O)C[N@H+]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC000193486321 672726617 /nfs/dbraw/zinc/72/66/17/672726617.db2.gz GGDQWZWHVTUSHG-IYBDPMFKSA-N 1 0 351.491 2.210 20 30 FEEDRO C=CCSc1ccccc1NC(=O)CN1CC[N@H+](CCO)C(C)(C)C1 ZINC000682034694 672729402 /nfs/dbraw/zinc/72/94/02/672729402.db2.gz LFBLCZQEAWPXDB-UHFFFAOYSA-N 1 0 363.527 2.292 20 30 FEEDRO CCCCn1c([C@H](CC)[NH+](C)C)nn(CN2CCO[C@@H](C#N)C2)c1=S ZINC000247532122 672851483 /nfs/dbraw/zinc/85/14/83/672851483.db2.gz CCMCQOKBJCNBEZ-GJZGRUSLSA-N 1 0 366.535 2.409 20 30 FEEDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CCC[C@](C)(C#N)C2)[C@@H](C)C1 ZINC000612128154 676069844 /nfs/dbraw/zinc/06/98/44/676069844.db2.gz ZSEMMZPNAIKYMS-JENIJYKNSA-N 1 0 350.507 2.459 20 30 FEEDRO CC[NH+]=C(NCc1nnc2n1CCCCC2)N1CCSC(C)(C)C1 ZINC000261646206 672900164 /nfs/dbraw/zinc/90/01/64/672900164.db2.gz AQNSOQKVNSBBPA-UHFFFAOYSA-N 1 0 350.536 2.297 20 30 FEEDRO C[NH+]=C(NC[C@](C)(O)c1ccsc1)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000261778129 672903252 /nfs/dbraw/zinc/90/32/52/672903252.db2.gz PUJRDVMCECUUIW-DFGXFYAUSA-N 1 0 363.527 2.468 20 30 FEEDRO C[NH+]=C(NC[C@@H]1CCCCO1)N[C@@H]1CCN(c2ncccc2Cl)C1 ZINC000261827071 672903461 /nfs/dbraw/zinc/90/34/61/672903461.db2.gz VCZWQRMBUCBHHK-KGLIPLIRSA-N 1 0 351.882 2.048 20 30 FEEDRO CC[NH+]=C(NCC1(O)CCC1)N[C@H]1CCN(c2cccc(Cl)c2)C1 ZINC000261867591 672904491 /nfs/dbraw/zinc/90/44/91/672904491.db2.gz ZDXDODJXDNDHLM-HNNXBMFYSA-N 1 0 350.894 2.389 20 30 FEEDRO [NH2+]=C(NCCNC(=O)c1ccc(Br)cc1)NC1CCCCC1 ZINC000261973992 672906392 /nfs/dbraw/zinc/90/63/92/672906392.db2.gz FFQKEJFXQRTGPG-UHFFFAOYSA-N 1 0 367.291 2.416 20 30 FEEDRO C[NH+]=C(NC[C@H](C)c1cccc(C)c1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261993039 672906748 /nfs/dbraw/zinc/90/67/48/672906748.db2.gz RUWAZHSMAWMQTF-HNNXBMFYSA-N 1 0 351.516 2.183 20 30 FEEDRO COCc1nc(CNC(=[NH2+])N2CCN(c3ccc(F)cc3)CC2)cs1 ZINC000262278555 672912302 /nfs/dbraw/zinc/91/23/02/672912302.db2.gz IMTXCAKWHSNNMU-UHFFFAOYSA-N 1 0 363.462 2.066 20 30 FEEDRO C[NH+]=C(NCc1cn2cc(Cl)ccc2n1)NC[C@H](O)c1ccc(C)o1 ZINC000262319733 672913099 /nfs/dbraw/zinc/91/30/99/672913099.db2.gz CKORLHLGWCSQDK-AWEZNQCLSA-N 1 0 361.833 2.288 20 30 FEEDRO C[NH+]=C(N[C@@H]1C[C@@](C)(OC)C1(C)C)N[C@@H]1CCC[C@H](C(=O)N(C)C)C1 ZINC000262371079 672914226 /nfs/dbraw/zinc/91/42/26/672914226.db2.gz IPWUCHJHMKMZNH-NRTGNBEESA-N 1 0 352.523 2.002 20 30 FEEDRO C[NH+]=C(NC[C@@]1(O)CCSC1)N(C)Cc1ccc(Br)cc1 ZINC000262379549 672914414 /nfs/dbraw/zinc/91/44/14/672914414.db2.gz KGINEGWIAQAOBH-HNNXBMFYSA-N 1 0 372.332 2.324 20 30 FEEDRO [NH2+]=C(NCCc1cn2c(n1)SCC2)Nc1ccc2c(c1)OCCCO2 ZINC000262440847 672915879 /nfs/dbraw/zinc/91/58/79/672915879.db2.gz UQFUMLVWQMFOGZ-UHFFFAOYSA-N 1 0 359.455 2.119 20 30 FEEDRO C[NH+]=C(NC[C@]1(O)CCSC1)N1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000262474349 672917124 /nfs/dbraw/zinc/91/71/24/672917124.db2.gz ZLWFPBCURIGZLS-MAUKXSAKSA-N 1 0 351.491 2.134 20 30 FEEDRO C[C@@H]1CN([C@@H](CNC2=[NH+]CCN2C)c2c(F)cccc2Cl)CCO1 ZINC000262690244 672919065 /nfs/dbraw/zinc/91/90/65/672919065.db2.gz ZYVWOFMFDPNKEN-DOMZBBRYSA-N 1 0 354.857 2.132 20 30 FEEDRO C[NH+]=C(NCc1ccc(Br)c(F)c1)N[C@H]1CCN(C2CC2)C1 ZINC000262768854 672920490 /nfs/dbraw/zinc/92/04/90/672920490.db2.gz JPRHZMAZILQIBR-LBPRGKRZSA-N 1 0 369.282 2.490 20 30 FEEDRO C[NH+]=C(NC[C@](C)(O)c1cc(C)oc1C)NC[C@]1(C)CCCC[C@H]1O ZINC000262823724 672921922 /nfs/dbraw/zinc/92/19/22/672921922.db2.gz ZDIABVANGIHGCS-NEWSRXKRSA-N 1 0 351.491 2.210 20 30 FEEDRO C[NH+]1CCC(N(Cc2ccco2)S(=O)(=O)c2ccsc2C#N)CC1 ZINC000593528774 672934107 /nfs/dbraw/zinc/93/41/07/672934107.db2.gz YLGBVFWLNMICTC-UHFFFAOYSA-N 1 0 365.480 2.498 20 30 FEEDRO CC(C)(C#N)c1ccc(S(=O)(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000593728968 672983693 /nfs/dbraw/zinc/98/36/93/672983693.db2.gz JREZMOMQDYLWBH-CVEARBPZSA-N 1 0 361.511 2.498 20 30 FEEDRO COc1ccc(NC(=[NH2+])NCc2ccc(S(C)(=O)=O)cc2)cc1OC ZINC000303785131 673017613 /nfs/dbraw/zinc/01/76/13/673017613.db2.gz PZOSYPHHLQZMPO-UHFFFAOYSA-N 1 0 363.439 2.034 20 30 FEEDRO [NH2+]=C(NCCCN1CCOCC1)NCCc1cc(Cl)cc(Cl)c1 ZINC000303873206 673018035 /nfs/dbraw/zinc/01/80/35/673018035.db2.gz GQKCSTACCGUSHU-UHFFFAOYSA-N 1 0 359.301 2.163 20 30 FEEDRO [NH2+]=C(NC[C@H](O)COc1cccc(Cl)c1Cl)N1CCSCC1 ZINC000303893647 673018621 /nfs/dbraw/zinc/01/86/21/673018621.db2.gz SATCOUHCJOMFEG-JTQLQIEISA-N 1 0 364.298 2.097 20 30 FEEDRO CO[C@H](C(=O)NC1(C#N)CC[NH+](C)CC1)c1ccccc1Br ZINC000593998170 673019028 /nfs/dbraw/zinc/01/90/28/673019028.db2.gz VUSPJSRIMFKWOP-AWEZNQCLSA-N 1 0 366.259 2.241 20 30 FEEDRO CCN(CC)C(=[NH2+])NCCCNC(=O)c1ccc(Br)cc1 ZINC000303968286 673019344 /nfs/dbraw/zinc/01/93/44/673019344.db2.gz AMTRZJPLZOSYMK-UHFFFAOYSA-N 1 0 355.280 2.226 20 30 FEEDRO CCCC[NH+]=C(NCCCNS(=O)(=O)CC)NCc1ccc(C)cc1 ZINC000303989449 673019533 /nfs/dbraw/zinc/01/95/33/673019533.db2.gz XOTYGZCFCSJYCB-UHFFFAOYSA-N 1 0 368.547 2.160 20 30 FEEDRO COc1cc(OC)c(CCNC(=[NH2+])NCCc2cccs2)c(OC)c1 ZINC000304739529 673020334 /nfs/dbraw/zinc/02/03/34/673020334.db2.gz BHCWVGZPAAIHMZ-UHFFFAOYSA-N 1 0 363.483 2.463 20 30 FEEDRO COC[C@H](C)NC(=[NH2+])NCCCOc1ncc(C(F)(F)F)cc1Cl ZINC000305437823 673021768 /nfs/dbraw/zinc/02/17/68/673021768.db2.gz JTDSNDQXWCLPQZ-VIFPVBQESA-N 1 0 368.787 2.462 20 30 FEEDRO COc1cc(Br)ccc1CCCNC(=[NH2+])N1CCOCC1 ZINC000305829358 673021860 /nfs/dbraw/zinc/02/18/60/673021860.db2.gz SNTYRNPRACPSQC-UHFFFAOYSA-N 1 0 356.264 2.037 20 30 FEEDRO CCOC(=O)N1CCC(NC(=[NH2+])NC[C@@H](C)c2ncc(C)s2)CC1 ZINC000305819775 673021888 /nfs/dbraw/zinc/02/18/88/673021888.db2.gz OERJSNBSWJMUQH-LLVKDONJSA-N 1 0 353.492 2.080 20 30 FEEDRO CC[N@@H+]1CCC[C@H](NC(=O)CN(C)S(=O)(=O)c2ccc(C)c(C)c2)C1 ZINC000328860752 673068499 /nfs/dbraw/zinc/06/84/99/673068499.db2.gz ANFGXMMUKDWPKP-INIZCTEOSA-N 1 0 367.515 2.365 20 30 FEEDRO CC(C)[NH+]1CCC(NC(=O)c2cccc(N3CCCS3(=O)=O)c2)CC1 ZINC000328924398 673069304 /nfs/dbraw/zinc/06/93/04/673069304.db2.gz DKDFXKVAZAMJOV-UHFFFAOYSA-N 1 0 365.499 2.404 20 30 FEEDRO CN1C(=O)C[C@H](NC(=O)[C@@H]([NH3+])CCCCC#N)[C@H]1c1ccc(Cl)cc1 ZINC000594443747 673072386 /nfs/dbraw/zinc/07/23/86/673072386.db2.gz TYVYSKMAVXYOSJ-YQQAZPJKSA-N 1 0 362.861 2.139 20 30 FEEDRO CC[C@@H]1OCCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000329117483 673072508 /nfs/dbraw/zinc/07/25/08/673072508.db2.gz NXBFKTJEDUGSSU-VEDBGLOESA-N 1 0 351.491 2.232 20 30 FEEDRO O=C(CCNC(=O)N1CC[C@H]([NH+]2CCCCC2)C1)N1CCCCCC1 ZINC000329286304 673074883 /nfs/dbraw/zinc/07/48/83/673074883.db2.gz MBISIGLCCDDFOD-KRWDZBQOSA-N 1 0 350.507 2.253 20 30 FEEDRO C[C@@H]1C[C@H](NC(=O)c2cccc(N3CCCS3(=O)=O)c2)CC[N@@H+]1C ZINC000329739702 673082790 /nfs/dbraw/zinc/08/27/90/673082790.db2.gz UZJDLIZOXFNHNN-UKRRQHHQSA-N 1 0 351.472 2.014 20 30 FEEDRO N#Cc1cc(F)ccc1CS(=O)(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594483024 673086612 /nfs/dbraw/zinc/08/66/12/673086612.db2.gz HPZGUWTUUUIQAN-IRXDYDNUSA-N 1 0 351.447 2.134 20 30 FEEDRO N#Cc1cc(F)c(N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cc1Br ZINC000594548766 673096827 /nfs/dbraw/zinc/09/68/27/673096827.db2.gz CKLXWGSMTPECNV-GOEBONIOSA-N 1 0 368.250 2.495 20 30 FEEDRO C=CCOC[C@H]1NC(=O)N(C[C@@H](c2ccsc2)[NH+](CC)CC)C1=O ZINC000348494423 673115803 /nfs/dbraw/zinc/11/58/03/673115803.db2.gz DKWACMQLPQYRLE-CABCVRRESA-N 1 0 351.472 2.254 20 30 FEEDRO C=CCOC[C@@H]1NC(=O)N(C[C@H](c2ccc(Cl)cc2)[NH+](C)C)C1=O ZINC000348614252 673116636 /nfs/dbraw/zinc/11/66/36/673116636.db2.gz FDLHPHSAPIVHGK-LSDHHAIUSA-N 1 0 351.834 2.066 20 30 FEEDRO N#C[C@H]1CCC[C@H]([NH2+]CCNC(=O)c2ccc(Br)cn2)C1 ZINC000595056155 673189904 /nfs/dbraw/zinc/18/99/04/673189904.db2.gz BLPYEROBSWXKMT-AAEUAGOBSA-N 1 0 351.248 2.246 20 30 FEEDRO N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)NCC2([NH3+])CCCC2)n1 ZINC000595231462 673211946 /nfs/dbraw/zinc/21/19/46/673211946.db2.gz WDFWBYRPTGNFCA-UHFFFAOYSA-N 1 0 358.833 2.790 20 30 FEEDRO N#Cc1ccc(N2CCN(C(=O)NCC3([NH3+])CCCC3)CC2)c(Cl)c1 ZINC000595269508 673215596 /nfs/dbraw/zinc/21/55/96/673215596.db2.gz BJIHANOKYZUZJX-UHFFFAOYSA-N 1 0 361.877 2.315 20 30 FEEDRO CCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2cc(Br)cc(C#N)c2)C1 ZINC000595355733 673231698 /nfs/dbraw/zinc/23/16/98/673231698.db2.gz QSQDYNCBRLQCGU-CYBMUJFWSA-N 1 0 372.288 2.083 20 30 FEEDRO C[C@@H]1CCC[N@H+](CCNC(=O)N2CCN(c3ccsc3C#N)CC2)C1 ZINC000595452955 673252588 /nfs/dbraw/zinc/25/25/88/673252588.db2.gz CFYWZKPKAVCGPH-OAHLLOKOSA-N 1 0 361.515 2.183 20 30 FEEDRO COCC1([NH2+]CC(=O)N(CCC#N)c2cccc(Cl)c2)CCOCC1 ZINC000595501587 673258861 /nfs/dbraw/zinc/25/88/61/673258861.db2.gz UFSKEZIAOLLSPN-UHFFFAOYSA-N 1 0 365.861 2.372 20 30 FEEDRO N#Cc1ccc(Br)c(CN2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c1 ZINC000595863029 673331636 /nfs/dbraw/zinc/33/16/36/673331636.db2.gz JLYQVCABMOUMOU-MRXNPFEDSA-N 1 0 364.287 2.352 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H]2[C@H]3Cc4cc(F)ccc4[C@@H]23)cc1 ZINC000596066392 673355583 /nfs/dbraw/zinc/35/55/83/673355583.db2.gz OCPYKXCREFUYKU-IPMKNSEASA-N 1 0 356.422 2.399 20 30 FEEDRO CC[NH+]1CCN(CCNc2c(C#N)cnc3c(F)ccc(Cl)c32)CC1 ZINC000596073566 673356054 /nfs/dbraw/zinc/35/60/54/673356054.db2.gz NBGBONNVOBUFKV-UHFFFAOYSA-N 1 0 361.852 2.370 20 30 FEEDRO CC[NH+]1CCN(c2ccc(CNc3nc(C#N)c(Cl)s3)cn2)CC1 ZINC000596078650 673356693 /nfs/dbraw/zinc/35/66/93/673356693.db2.gz WSQGBHBWIPYVKP-UHFFFAOYSA-N 1 0 362.890 2.817 20 30 FEEDRO N#Cc1cc(Br)ccc1N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000596538622 673392544 /nfs/dbraw/zinc/39/25/44/673392544.db2.gz MWJUQZSIWYBOCF-OAHLLOKOSA-N 1 0 350.260 2.356 20 30 FEEDRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)Cc1ccc(Br)cc1C#N ZINC000597532471 673484898 /nfs/dbraw/zinc/48/48/98/673484898.db2.gz AUTGSHSGWRMSQV-HUUCEWRRSA-N 1 0 350.260 2.462 20 30 FEEDRO CCC[N@@H+]1CC[C@H](NC(=O)COc2ccc(C#N)c(Br)c2)C1 ZINC000598343466 673561720 /nfs/dbraw/zinc/56/17/20/673561720.db2.gz VZLKDCKNDHEDAP-ZDUSSCGKSA-N 1 0 366.259 2.300 20 30 FEEDRO Cc1ccc([C@H]([NH2+]C[C@H](O)CC(C)(C)C#N)[C@@H](C)S(C)(=O)=O)cc1 ZINC000598611341 673590095 /nfs/dbraw/zinc/59/00/95/673590095.db2.gz MRFLQGZAGPBHTC-DJIMGWMZSA-N 1 0 352.500 2.360 20 30 FEEDRO CC(C)(C#N)C[C@H](O)C[NH2+]C[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000598700145 673599785 /nfs/dbraw/zinc/59/97/85/673599785.db2.gz LKQVNEBUPPPVBO-UONOGXRCSA-N 1 0 360.376 2.335 20 30 FEEDRO CC(C)(C#N)C[C@@H](O)C[NH2+]CCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000598728001 673603756 /nfs/dbraw/zinc/60/37/56/673603756.db2.gz LTDYAUUKUDOKRB-CQSZACIVSA-N 1 0 358.891 2.394 20 30 FEEDRO CCN(CC)C(=O)CCC1CC[NH+](CC(=O)N(CC)CCC#N)CC1 ZINC000542948473 673617375 /nfs/dbraw/zinc/61/73/75/673617375.db2.gz UTVRTIIGINAFOK-UHFFFAOYSA-N 1 0 350.507 2.109 20 30 FEEDRO CCNc1ncc(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)s1 ZINC000599198743 673639888 /nfs/dbraw/zinc/63/98/88/673639888.db2.gz PWQWUNARVYSZOU-UHFFFAOYSA-N 1 0 357.483 2.651 20 30 FEEDRO C[C@@H](C1CC[NH+](C)CC1)N(C)S(=O)(=O)Cc1cc(C#N)ccc1F ZINC000543672710 673660364 /nfs/dbraw/zinc/66/03/64/673660364.db2.gz FUZFQHSJHAKBLD-ZDUSSCGKSA-N 1 0 353.463 2.189 20 30 FEEDRO C[C@@H](c1ccsc1)N1CC[NH+](C[C@H](O)CC2(C#N)CCOCC2)CC1 ZINC000599360005 673663367 /nfs/dbraw/zinc/66/33/67/673663367.db2.gz IZQZPGDSPZRROU-FUHWJXTLSA-N 1 0 363.527 2.498 20 30 FEEDRO CN1C(=O)C[C@H]([NH2+]C[C@@H](O)CC2(C#N)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000599384532 673667655 /nfs/dbraw/zinc/66/76/55/673667655.db2.gz OVKJILRZDBREOI-NUTKFTJISA-N 1 0 365.836 2.395 20 30 FEEDRO Cc1ccc([C@H]([NH2+]C[C@H](O)CC2(C#N)CC2)[C@@H](C)S(C)(=O)=O)cc1 ZINC000599398122 673669469 /nfs/dbraw/zinc/66/94/69/673669469.db2.gz AJAFNVWXOUGTQO-DJIMGWMZSA-N 1 0 350.484 2.114 20 30 FEEDRO CC(C)(CO)[C@H]([NH2+]C[C@H](O)CC1(C#N)CCOCC1)c1cccs1 ZINC000599420203 673673252 /nfs/dbraw/zinc/67/32/52/673673252.db2.gz DLBWALXLCHDXJE-GDBMZVCRSA-N 1 0 352.500 2.469 20 30 FEEDRO CC(=NNCC[NH+]1CCCCC1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000741162620 673673738 /nfs/dbraw/zinc/67/37/38/673673738.db2.gz HBEUQGPWSUCLIP-UHFFFAOYSA-N 1 0 364.515 2.026 20 30 FEEDRO C[N@H+](C[C@@H](O)CC1(C#N)CCOCC1)[C@@H](CO)c1ccc(Cl)cc1 ZINC000599431659 673675463 /nfs/dbraw/zinc/67/54/63/673675463.db2.gz NBNXOGKCLDAIHO-IRXDYDNUSA-N 1 0 352.862 2.377 20 30 FEEDRO COC(=O)c1ccc(C[N@H+](C)CCC(=O)Nc2sccc2C#N)nc1 ZINC000599444100 673676055 /nfs/dbraw/zinc/67/60/55/673676055.db2.gz PVQNWAILBXWNCU-UHFFFAOYSA-N 1 0 358.423 2.262 20 30 FEEDRO CC(C)(C)OC(=O)[C@]1(C)CCC[N@@H+]1C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599501498 673685545 /nfs/dbraw/zinc/68/55/45/673685545.db2.gz YOQOJXDVKNFFRY-YJBOKZPZSA-N 1 0 352.475 2.254 20 30 FEEDRO C#CCOc1ccc(Br)cc1C[NH2+]CCn1cnnc1CC ZINC000742388054 673725883 /nfs/dbraw/zinc/72/58/83/673725883.db2.gz KGTMRINFEKYXNJ-UHFFFAOYSA-N 1 0 363.259 2.405 20 30 FEEDRO N#Cc1ccc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)cc1Cl ZINC000600062954 673737942 /nfs/dbraw/zinc/73/79/42/673737942.db2.gz KVUKEOKZRYEUFB-HNNXBMFYSA-N 1 0 360.845 2.283 20 30 FEEDRO N#CC1(C[C@H](O)C[NH2+]Cc2ccc(O)c(Br)c2)CCOCC1 ZINC000600728698 673794851 /nfs/dbraw/zinc/79/48/51/673794851.db2.gz QFHXFLQYISXWBA-ZDUSSCGKSA-N 1 0 369.259 2.316 20 30 FEEDRO CCC[C@@H]([NH2+]C[C@H](O)CC1(C#N)CC1)C(=O)N1CCc2sccc2C1 ZINC000600723429 673794862 /nfs/dbraw/zinc/79/48/62/673794862.db2.gz OEENXLLCESNNEC-HZPDHXFCSA-N 1 0 361.511 2.446 20 30 FEEDRO Cc1ccc(Br)cc1NC(=O)C[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000600723403 673794867 /nfs/dbraw/zinc/79/48/67/673794867.db2.gz NNVCAUGPEBCUKQ-ZDUSSCGKSA-N 1 0 366.259 2.340 20 30 FEEDRO N#Cc1ccccc1OC[C@@H](O)C[NH2+]CCc1nc2c(s1)CCCC2 ZINC000600730442 673795237 /nfs/dbraw/zinc/79/52/37/673795237.db2.gz GZSFAIKNMHLUHX-HNNXBMFYSA-N 1 0 357.479 2.466 20 30 FEEDRO N#CC1(C[C@H](O)C[NH2+]CCc2ccccc2OC(F)F)CCOCC1 ZINC000600733212 673795239 /nfs/dbraw/zinc/79/52/39/673795239.db2.gz HWZBWWTUVHADCP-HNNXBMFYSA-N 1 0 354.397 2.491 20 30 FEEDRO CN1CCO[C@H]([C@H]([NH2+]C[C@@H](O)CC2(C#N)CC2)c2ccc(Cl)cc2)C1 ZINC000600731621 673795252 /nfs/dbraw/zinc/79/52/52/673795252.db2.gz NJKHNSGXNPPGMB-OKZBNKHCSA-N 1 0 363.889 2.356 20 30 FEEDRO N#CC1(C[C@H](O)C[NH2+]C[C@@H](CO)Cc2ccccc2Br)CC1 ZINC000600750393 673796518 /nfs/dbraw/zinc/79/65/18/673796518.db2.gz VQEAULIVJIYGRI-ZFWWWQNUSA-N 1 0 367.287 2.244 20 30 FEEDRO Cc1nc([C@@H]2CCOC2)sc1C(=O)N(CCC#N)CCC[NH+](C)C ZINC000601016431 673819759 /nfs/dbraw/zinc/81/97/59/673819759.db2.gz YIWWTOBTYCIUMP-CQSZACIVSA-N 1 0 350.488 2.263 20 30 FEEDRO C[NH+]1CCN(c2cccc(-c3noc(-c4cc(C#N)cs4)n3)n2)CC1 ZINC000547251947 673838116 /nfs/dbraw/zinc/83/81/16/673838116.db2.gz AOOZPOXCVUNKJJ-UHFFFAOYSA-N 1 0 352.423 2.484 20 30 FEEDRO CCC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2c(C)cc(F)cc2C#N)C1 ZINC000601360025 673848269 /nfs/dbraw/zinc/84/82/69/673848269.db2.gz RMWMKLSEBVGYGW-AWEZNQCLSA-N 1 0 353.463 2.358 20 30 FEEDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000601421131 673859729 /nfs/dbraw/zinc/85/97/29/673859729.db2.gz CGXNPLJSNMSAHP-MFKMUULPSA-N 1 0 361.389 2.290 20 30 FEEDRO C[C@H]1[C@@H]([NH+](C)C)CCN1S(=O)(=O)c1cccc(Br)c1C#N ZINC000601422768 673860047 /nfs/dbraw/zinc/86/00/47/673860047.db2.gz YNHWRLQVGRTGJK-GWCFXTLKSA-N 1 0 372.288 2.034 20 30 FEEDRO C[NH2+]C(C)(C)c1cn([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)nn1 ZINC000603204269 673919109 /nfs/dbraw/zinc/91/91/09/673919109.db2.gz UNYPQHDLKGGSMK-JTQLQIEISA-N 1 0 358.471 2.354 20 30 FEEDRO N#Cc1ccc(Br)c(Cn2cc([C@H]([NH3+])[C@@H]3CCCO3)nn2)c1 ZINC000603242353 673919720 /nfs/dbraw/zinc/91/97/20/673919720.db2.gz SYJNPVOWWOTPLP-GJZGRUSLSA-N 1 0 362.231 2.139 20 30 FEEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)S(=O)(=O)C[C@@]1(C)CC1(F)F ZINC000603276236 673920969 /nfs/dbraw/zinc/92/09/69/673920969.db2.gz LDPJQJFIVPLVIG-MRXNPFEDSA-N 1 0 371.453 2.297 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCOC[C@H]1[C@@H](C)NC(=O)OC(C)(C)C ZINC000818346303 675215685 /nfs/dbraw/zinc/21/56/85/675215685.db2.gz CGBFPMPRQFGNDD-HMDCTGQHSA-N 1 0 354.491 2.485 20 30 FEEDRO C#CC[N@@H+](C)CCCNC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000818593269 675226717 /nfs/dbraw/zinc/22/67/17/675226717.db2.gz SJCAXAOOVCFBPT-GFCCVEGCSA-N 1 0 353.806 2.087 20 30 FEEDRO C#CC[N@@H+](C)CCCNC(=O)c1cc(Br)c(OC)c(OC)c1 ZINC000818593185 675226869 /nfs/dbraw/zinc/22/68/69/675226869.db2.gz OWMSSRYNDRHKHB-UHFFFAOYSA-N 1 0 369.259 2.151 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)c1csc(-c2ccc3c(c2)OCO3)n1 ZINC000818612426 675228595 /nfs/dbraw/zinc/22/85/95/675228595.db2.gz YYAHPSQEPNEWSU-UHFFFAOYSA-N 1 0 357.435 2.224 20 30 FEEDRO C[C@](O)(C[NH2+]C1CCN(CC#N)CC1)c1ccc(Br)cc1F ZINC000819033940 675254365 /nfs/dbraw/zinc/25/43/65/675254365.db2.gz KGVMIQPUYVSJCP-INIZCTEOSA-N 1 0 370.266 2.373 20 30 FEEDRO N#Cc1ccc([C@H](O)C[NH2+]CCNc2nccc(C(F)(F)F)n2)cc1 ZINC000819086552 675259382 /nfs/dbraw/zinc/25/93/82/675259382.db2.gz SXNJRDJGHGIRII-CYBMUJFWSA-N 1 0 351.332 2.102 20 30 FEEDRO C[N@@H+]1CCC[C@H](CNC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)C1 ZINC000819256197 675274480 /nfs/dbraw/zinc/27/44/80/675274480.db2.gz JVKHNBYRLMQVTG-CABCVRRESA-N 1 0 352.479 2.032 20 30 FEEDRO C#CC[N@@H+](C)CCCNC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000820688118 675378963 /nfs/dbraw/zinc/37/89/63/675378963.db2.gz KCCVABDVBZXQDG-HZPDHXFCSA-N 1 0 351.491 2.093 20 30 FEEDRO C=CC1(CC(=O)N2CC[N@@H+](C)C[C@H]2CC)CN(C(=O)OC(C)(C)C)C1 ZINC000820728893 675382556 /nfs/dbraw/zinc/38/25/56/675382556.db2.gz PRPCAYKKSWSOIU-OAHLLOKOSA-N 1 0 351.491 2.352 20 30 FEEDRO CCCCCCC[C@]1(C)NC(=O)N(NC(=O)C[C@H]2CC[N@H+](C)C2)C1=O ZINC000822582940 675493053 /nfs/dbraw/zinc/49/30/53/675493053.db2.gz IRAXALLOSSSCNA-KDOFPFPSSA-N 1 0 352.479 2.030 20 30 FEEDRO C=CC1(CC(=O)N(C)C[C@H]2CCC[N@@H+]2C)CN(C(=O)OC(C)(C)C)C1 ZINC000823133514 675531501 /nfs/dbraw/zinc/53/15/01/675531501.db2.gz NXFHMKGQYNOAGT-OAHLLOKOSA-N 1 0 351.491 2.352 20 30 FEEDRO C=CCNC(=O)C[N@H+]1CC2(C[C@@H]1C)CCN(C(=O)OC(C)(C)C)CC2 ZINC000823642223 675564810 /nfs/dbraw/zinc/56/48/10/675564810.db2.gz BRISKHSQBFHYBJ-HNNXBMFYSA-N 1 0 351.491 2.400 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)c2sc(Br)nc2C)CC1 ZINC000828477597 675822838 /nfs/dbraw/zinc/82/28/38/675822838.db2.gz FRKGIWKXIPIOCO-UHFFFAOYSA-N 1 0 356.289 2.432 20 30 FEEDRO C[C@@H](CC#N)N(C)S(=O)(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000619751582 676393277 /nfs/dbraw/zinc/39/32/77/676393277.db2.gz LBNOQOPXVFDZSS-FUHWJXTLSA-N 1 0 364.515 2.282 20 30 FEEDRO C=CCOc1c(Cl)cc(C[NH2+]CCC2CS(=O)(=O)C2)cc1OC ZINC000623504281 676538314 /nfs/dbraw/zinc/53/83/14/676538314.db2.gz HRPWTDCIUHNYTR-UHFFFAOYSA-N 1 0 359.875 2.438 20 30 FEEDRO C=C(C)CN(Cc1ccccc1)S(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000632293244 676986361 /nfs/dbraw/zinc/98/63/61/676986361.db2.gz ZAWPGSJKFCFGNX-UHFFFAOYSA-N 1 0 365.543 2.032 20 30 FEEDRO C[NH+](C)CCCNC(=S)NN=Cc1cc(F)ccc1Br ZINC000761258358 680717118 /nfs/dbraw/zinc/71/71/18/680717118.db2.gz JQRDKAQYCLWKMX-UHFFFAOYSA-N 1 0 361.284 2.338 20 30 FEEDRO C=CC[C@H]1CCCC[C@@H]1NS(=O)(=O)c1c(C)nn(CC[NH+](C)C)c1C ZINC000657036667 677920006 /nfs/dbraw/zinc/92/00/06/677920006.db2.gz LJWRQQRYGCJESL-IRXDYDNUSA-N 1 0 368.547 2.475 20 30 FEEDRO C=CCCn1cc(C[NH2+][C@@H](C)[C@H](C)C(=O)Nc2nnc(CC)s2)nn1 ZINC000657465564 678002528 /nfs/dbraw/zinc/00/25/28/678002528.db2.gz CRNGQENAOWSYJS-RYUDHWBXSA-N 1 0 363.491 2.021 20 30 FEEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)NCC[C@@H]([NH3+])C(C)C ZINC000659741716 678203303 /nfs/dbraw/zinc/20/33/03/678203303.db2.gz MWVHKILEZGUSLH-CYBMUJFWSA-N 1 0 357.907 2.406 20 30 FEEDRO C=CC[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(C)c(S(=O)(=O)NC)c2)C1 ZINC000661379702 678472635 /nfs/dbraw/zinc/47/26/35/678472635.db2.gz HCDXQNOCLOPPLQ-OAHLLOKOSA-N 1 0 365.499 2.130 20 30 FEEDRO C=CC[C@H]1CCC[N@@H+](CC(=O)Nc2cc(S(N)(=O)=O)cc(C)c2C)C1 ZINC000661378516 678472747 /nfs/dbraw/zinc/47/27/47/678472747.db2.gz HYMTYXKAPUAIPS-HNNXBMFYSA-N 1 0 365.499 2.177 20 30 FEEDRO C=CC[C@@]1(C(=O)NCCc2ccc(OCC(F)(F)F)nc2)CCC[NH2+]1 ZINC000662799755 678662559 /nfs/dbraw/zinc/66/25/59/678662559.db2.gz NTUQFXHXCFKTDJ-INIZCTEOSA-N 1 0 357.376 2.380 20 30 FEEDRO C#CC[N@H+]1CCC[C@@H]1COC(=O)Cc1c(C)nn(CC(F)(F)F)c1C ZINC000764623771 680817194 /nfs/dbraw/zinc/81/71/94/680817194.db2.gz BMGVASJNWXKDCC-CQSZACIVSA-N 1 0 357.376 2.246 20 30 FEEDRO C=C(C)Cn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N(C)[C@@H]1CCSC1 ZINC000669336535 679230004 /nfs/dbraw/zinc/23/00/04/679230004.db2.gz KPQMOQVJDSRHCB-OAGGEKHMSA-N 1 0 363.531 2.332 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1CCC(F)(F)CC1)C(C)C ZINC000671082047 679309774 /nfs/dbraw/zinc/30/97/74/679309774.db2.gz ONSUHVVSQASMPX-OAHLLOKOSA-N 1 0 357.445 2.059 20 30 FEEDRO N#Cc1ccc(NC(=S)NC[C@@H]2CCC[N@H+]2CCCO)cc1Cl ZINC000840780475 680842445 /nfs/dbraw/zinc/84/24/45/680842445.db2.gz TXQLZNUVOVVEPG-AWEZNQCLSA-N 1 0 352.891 2.345 20 30 FEEDRO C#CCN1CCN(C(=O)C[NH2+]C2(c3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000748816726 679997780 /nfs/dbraw/zinc/99/77/80/679997780.db2.gz VZTFTGFCYRZTQL-UHFFFAOYSA-N 1 0 366.292 2.350 20 30 FEEDRO C=CCc1cc(OCC)cc(C[N@@H+]2CCC[C@H]2CS(=O)(=O)NC)c1O ZINC000749970041 680091869 /nfs/dbraw/zinc/09/18/69/680091869.db2.gz YHQIVFAAFQUUQP-INIZCTEOSA-N 1 0 368.499 2.033 20 30 FEEDRO C#CCN(CC(=O)N(CC)CCC[NH+]1CCCC1)C(=O)OC(C)(C)C ZINC000832835956 680182369 /nfs/dbraw/zinc/18/23/69/680182369.db2.gz AVEJPUYPQHVPPW-UHFFFAOYSA-N 1 0 351.491 2.191 20 30 FEEDRO C=C(Cl)C(C)(C)C(=O)N1C[C@@H]2CCN(C(=O)[C@@H](CC)[NH+](C)C)[C@@H]2C1 ZINC001022021911 680190638 /nfs/dbraw/zinc/19/06/38/680190638.db2.gz MWBZZJVEVNOLIL-RRFJBIMHSA-N 1 0 355.910 2.165 20 30 FEEDRO C[C@H]1C[N@H+](C)CC1N=Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000752169773 680226222 /nfs/dbraw/zinc/22/62/22/680226222.db2.gz YXOVOIWFVFWOIF-NSHDSACASA-N 1 0 365.484 2.293 20 30 FEEDRO Cc1cc(C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)nn1-c1ccc(Cl)cc1Cl ZINC000834484446 680233451 /nfs/dbraw/zinc/23/34/51/680233451.db2.gz IYJPVDYVDATPCA-IINYFYTJSA-N 1 0 364.236 2.329 20 30 FEEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)c1ccc(Sc2ccccc2Cl)nn1 ZINC000834489041 680234240 /nfs/dbraw/zinc/23/42/40/680234240.db2.gz IOAVGWQVYMCIMU-ZWNOBZJWSA-N 1 0 359.842 2.123 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@]2(C)C[N@@H+](CCOC)C[C@]2(C)C1 ZINC000982631204 680283425 /nfs/dbraw/zinc/28/34/25/680283425.db2.gz UZISOQXWOUKGCZ-QGZVKYPTSA-N 1 0 350.503 2.175 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC2(CO[C@H](C[NH2+]C(C)C)C2)CC1 ZINC000982928713 680293947 /nfs/dbraw/zinc/29/39/47/680293947.db2.gz OIKQZNQJLSQFOH-BZSNNMDCSA-N 1 0 350.503 2.363 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCCC[C@@H]1C[NH2+]Cc1cnns1 ZINC001025109019 680313830 /nfs/dbraw/zinc/31/38/30/680313830.db2.gz JAQDDEKVDOTVFN-PVAVHDDUSA-N 1 0 364.515 2.380 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CC2CC(OCC)C2)C1 ZINC000983699451 680322300 /nfs/dbraw/zinc/32/23/00/680322300.db2.gz VYLNPEPGKIJWTA-IDQHCTJASA-N 1 0 350.503 2.267 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H](CCO)c2cccs2)cc1 ZINC000754389321 680353409 /nfs/dbraw/zinc/35/34/09/680353409.db2.gz ROAYEQVNTWXASQ-HNNXBMFYSA-N 1 0 350.465 2.107 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2cc(F)cc(F)c2)C1 ZINC001027075561 680354779 /nfs/dbraw/zinc/35/47/79/680354779.db2.gz VRNFUSITWBMJID-XWIAVFTESA-N 1 0 350.409 2.494 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2snnc2C)CC1 ZINC000997782079 680365843 /nfs/dbraw/zinc/36/58/43/680365843.db2.gz PLSABJNTESGASP-CVEARBPZSA-N 1 0 364.515 2.156 20 30 FEEDRO C=CC[N@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)CC1 ZINC000998045318 680372873 /nfs/dbraw/zinc/37/28/73/680372873.db2.gz JVCDEYVMYPPPCY-ZNMIVQPWSA-N 1 0 364.408 2.222 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](Cc2ccc(F)cc2F)C1 ZINC001028809611 680383183 /nfs/dbraw/zinc/38/31/83/680383183.db2.gz LJDSKSZWJHUBGO-XCRHUMRWSA-N 1 0 350.409 2.494 20 30 FEEDRO C=C(Br)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2cncn2C)C1 ZINC001000248720 680425065 /nfs/dbraw/zinc/42/50/65/680425065.db2.gz YVCWMWPLQAODBN-MGPQQGTHSA-N 1 0 367.291 2.013 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N(CC)[C@@H]1CC[N@H+](CC2CCOCC2)C1 ZINC001033837298 680425997 /nfs/dbraw/zinc/42/59/97/680425997.db2.gz MKXZETYAQBQIGS-QRVBRYPASA-N 1 0 350.503 2.317 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@@H]1CC[N@H+](CCn2cc(Cl)cn2)C1 ZINC001033959595 680429237 /nfs/dbraw/zinc/42/92/37/680429237.db2.gz GCFUAQXNBMWQAH-ZACQAIPSSA-N 1 0 366.893 2.050 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC2(C[NH+](C[C@@H](CC)OC)C2)CC1 ZINC001035815892 680452923 /nfs/dbraw/zinc/45/29/23/680452923.db2.gz DWKXXIIPYHAAAX-SQNIBIBYSA-N 1 0 350.503 2.317 20 30 FEEDRO C=C(Cl)C[N@H+]1CC[C@H](C2CCN(C(=O)[C@H]3OCCO[C@H]3C)CC2)C1 ZINC001039134696 680462268 /nfs/dbraw/zinc/46/22/68/680462268.db2.gz ULVWATGCVKYQEA-XIRDDKMYSA-N 1 0 356.894 2.103 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000836488064 680475711 /nfs/dbraw/zinc/47/57/11/680475711.db2.gz FQUGTAHSUBOBDL-UHFFFAOYSA-N 1 0 351.372 2.311 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)NCC(=O)Nc1cc(Cl)ccc1Cl ZINC000836486799 680475796 /nfs/dbraw/zinc/47/57/96/680475796.db2.gz IVOFSNMZPPDHBE-UHFFFAOYSA-N 1 0 371.268 2.186 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)NCC1CCN(Cc2csnc2OC)CC1 ZINC001001850888 680478518 /nfs/dbraw/zinc/47/85/18/680478518.db2.gz FUNUIFBZXISVAL-CVEARBPZSA-N 1 0 365.499 2.071 20 30 FEEDRO C=C(Cl)C(C)(C)C(=O)N1C[C@@H]2CN(C(=O)[C@@H](CC)[NH+](C)C)CC[C@@H]2C1 ZINC000986157409 680497126 /nfs/dbraw/zinc/49/71/26/680497126.db2.gz HGHDKGGZCAOHEC-OWCLPIDISA-N 1 0 369.937 2.412 20 30 FEEDRO C=C(C)CC[NH+]1CCC2(CO[C@@H](CNC(=O)[C@H]3OCC[C@H]3C)C2)CC1 ZINC001045678794 680637970 /nfs/dbraw/zinc/63/79/70/680637970.db2.gz AUIFORSIZWBLAE-KURKYZTESA-N 1 0 350.503 2.365 20 30 FEEDRO C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CC[C@@H](Nc3snc(Cl)c3C#N)C2)C1 ZINC001047310369 680660174 /nfs/dbraw/zinc/66/01/74/680660174.db2.gz QWBBYJVWMTZEIH-SDDRHHMPSA-N 1 0 367.906 2.317 20 30 FEEDRO C=C(C[NH+](C)C)C(=O)N[C@@H]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC000838175921 680677945 /nfs/dbraw/zinc/67/79/45/680677945.db2.gz SKVCLESWZUETQG-HRCADAONSA-N 1 0 351.491 2.256 20 30 FEEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)Nc1nnc(-c2ccc(Cl)cc2F)s1 ZINC000841224505 680869871 /nfs/dbraw/zinc/86/98/71/680869871.db2.gz LLFHZUVOIVFDII-RDDDGLTNSA-N 1 0 366.809 2.231 20 30 FEEDRO CC[C@@H](C#N)Oc1cccc(CNC(=O)N[C@H](CC[NH3+])C(F)(F)F)c1 ZINC000841334393 680873535 /nfs/dbraw/zinc/87/35/35/680873535.db2.gz CIWDXFQCGBTMBF-GXTWGEPZSA-N 1 0 358.364 2.446 20 30 FEEDRO CS[C@@H]1CN(C(=O)Nc2cc(C)c(N(C)C)cc2C#N)C[C@@H]1[NH+](C)C ZINC000841713503 680908635 /nfs/dbraw/zinc/90/86/35/680908635.db2.gz OZFKEPKVTBICIG-DLBZAZTESA-N 1 0 361.515 2.442 20 30 FEEDRO CCS(=O)(=O)c1ccc(CO[NH+]=C(N)c2ccc(N(C)C)cc2)cc1 ZINC000842022478 680922334 /nfs/dbraw/zinc/92/23/34/680922334.db2.gz HHZYDSMYBAJVSF-UHFFFAOYSA-N 1 0 361.467 2.383 20 30 FEEDRO Cc1cc(C[NH2+]CC2CCN(S(=O)(=O)C(F)F)CC2)ccc1C#N ZINC000767692671 680922421 /nfs/dbraw/zinc/92/24/21/680922421.db2.gz XLWKMLSQGIHZJR-UHFFFAOYSA-N 1 0 357.426 2.221 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cc(N)nc(Br)c2)CC1 ZINC000874436446 685388081 /nfs/dbraw/zinc/38/80/81/685388081.db2.gz GXMCLRWBLOKRLG-UHFFFAOYSA-N 1 0 353.264 2.197 20 30 FEEDRO C#CCNC(=O)CC[N@H+]1CCC[C@H](C)[C@@H]1CCNC(=O)OC(C)(C)C ZINC000844402642 681056955 /nfs/dbraw/zinc/05/69/55/681056955.db2.gz RPVQUPPEEWQMPU-HOTGVXAUSA-N 1 0 351.491 2.141 20 30 FEEDRO C#CC[NH+]1CCC(c2nc(-c3cnn(C)c3Br)no2)CC1 ZINC000771565357 681059911 /nfs/dbraw/zinc/05/99/11/681059911.db2.gz ZNAYZKAGVGLVSB-UHFFFAOYSA-N 1 0 350.220 2.045 20 30 FEEDRO Cc1nsc(N2CC[C@H](NC(=O)C34CCC[NH+]3CCC4)[C@H]2C)c1C#N ZINC001051230701 681066108 /nfs/dbraw/zinc/06/61/08/681066108.db2.gz OWOBNNLOKRYPSR-HIFRSBDPSA-N 1 0 359.499 2.035 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCO[C@H](C[NH2+]CC2CC(C)(C)C2)C1 ZINC001051620608 681067858 /nfs/dbraw/zinc/06/78/58/681067858.db2.gz TWGFCOIROWIALW-KURKYZTESA-N 1 0 350.503 2.221 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCO[C@H](C[NH2+]CC2CCCCC2)C1 ZINC001051618937 681067901 /nfs/dbraw/zinc/06/79/01/681067901.db2.gz HPFNOBWTFALYSK-QRVBRYPASA-N 1 0 350.503 2.365 20 30 FEEDRO N#Cc1cccc(C[NH+]2CCC(NC(=S)NC[C@@H]3CCCO3)CC2)c1 ZINC000844596246 681068058 /nfs/dbraw/zinc/06/80/58/681068058.db2.gz IQSCUHFJJLECBE-SFHVURJKSA-N 1 0 358.511 2.166 20 30 FEEDRO Cc1nsc(NCC[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@H]2C)c1C#N ZINC001053386143 681096798 /nfs/dbraw/zinc/09/67/98/681096798.db2.gz FUBUFSPAKOVRLZ-YUELXQCFSA-N 1 0 361.515 2.171 20 30 FEEDRO C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1CNc1snc(Cl)c1C#N ZINC001054409158 681107485 /nfs/dbraw/zinc/10/74/85/681107485.db2.gz OZYTYDXNGPXRLH-IJLUTSLNSA-N 1 0 367.906 2.126 20 30 FEEDRO CC[C@H](C(=O)N1C[C@@H](CNc2ncc(C#N)cc2Cl)[C@H](C)C1)[NH+](C)C ZINC001054421332 681108161 /nfs/dbraw/zinc/10/81/61/681108161.db2.gz ZFBUKOLXUDDVND-XNRPHZJLSA-N 1 0 363.893 2.453 20 30 FEEDRO C=C[C@H](C)ONC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000845626411 681141973 /nfs/dbraw/zinc/14/19/73/681141973.db2.gz GRIJMIXTAJYWOL-JQHSSLGASA-N 1 0 352.523 2.471 20 30 FEEDRO C#C[C@H](C)N(C)C(=O)C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000845950209 681164700 /nfs/dbraw/zinc/16/47/00/681164700.db2.gz FNSVTXFMBWSPRM-HNNXBMFYSA-N 1 0 359.495 2.293 20 30 FEEDRO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](Nc3snc(Cl)c3C#N)C2)CC[N@@H+]1C ZINC001059096356 681178617 /nfs/dbraw/zinc/17/86/17/681178617.db2.gz DSMMWZHQXJXBNE-GMXVVIOVSA-N 1 0 367.906 2.411 20 30 FEEDRO C=C(Cl)C(C)(C)C(=O)N1CC[C@@H](CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001059705433 681182459 /nfs/dbraw/zinc/18/24/59/681182459.db2.gz UCMLMGZBWFHUMG-FVQBIDKESA-N 1 0 369.937 2.460 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)[C@H]1CCOc2ccc(Br)cc21 ZINC000846228282 681204933 /nfs/dbraw/zinc/20/49/33/681204933.db2.gz LWTCHFBFJIBDAM-AWEZNQCLSA-N 1 0 365.271 2.387 20 30 FEEDRO C[NH+](C)CCOc1cccc(CNC(=O)N[C@H](CC#N)C(F)(F)F)c1 ZINC000932927711 681329767 /nfs/dbraw/zinc/32/97/67/681329767.db2.gz UPVBWMSTFKGGQK-CQSZACIVSA-N 1 0 358.364 2.271 20 30 FEEDRO COc1ccc([C@@H](C)[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)cc1C ZINC000933483925 681419659 /nfs/dbraw/zinc/41/96/59/681419659.db2.gz RCPGSISDLMSZKN-CQSZACIVSA-N 1 0 359.451 2.395 20 30 FEEDRO COCC[NH+]1CCC(OC(=O)c2cnc(C(F)(F)F)c(C#N)c2)CC1 ZINC000847886334 681445912 /nfs/dbraw/zinc/44/59/12/681445912.db2.gz UBVCGBGGSXSNDV-UHFFFAOYSA-N 1 0 357.332 2.240 20 30 FEEDRO C#CCn1ccc(CN(CC)C(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)n1 ZINC000847989245 681459459 /nfs/dbraw/zinc/45/94/59/681459459.db2.gz XMOLBTZXPOBZNQ-GOSISDBHSA-N 1 0 360.527 2.082 20 30 FEEDRO C=C(C)[C@H](CO)[N@@H+]1CCOC2(CCC(NC(=O)OC(C)(C)C)CC2)C1 ZINC000933827643 681472036 /nfs/dbraw/zinc/47/20/36/681472036.db2.gz BDMFJKUEVHTVIP-WUJZJPHMSA-N 1 0 354.491 2.462 20 30 FEEDRO C#CC[N@@H+](C)CCCNC(=O)[C@@H](OC)c1ccccc1Br ZINC000848142877 681479482 /nfs/dbraw/zinc/47/94/82/681479482.db2.gz NOWHKOBUSOKNBU-HNNXBMFYSA-N 1 0 353.260 2.208 20 30 FEEDRO C=CCSc1ccccc1NC(=O)CN1CCN(C)CC[N@@H+](C)CC1 ZINC000933998710 681495461 /nfs/dbraw/zinc/49/54/61/681495461.db2.gz OCJUMCRLRTYXJQ-UHFFFAOYSA-N 1 0 362.543 2.082 20 30 FEEDRO CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)c1 ZINC000934192824 681523045 /nfs/dbraw/zinc/52/30/45/681523045.db2.gz BYVBVXIRTCKSCJ-SJORKVTESA-N 1 0 362.495 2.086 20 30 FEEDRO N#CCCCC[C@@H]([NH3+])C(=O)Nc1ccccc1C(=O)NCC(F)(F)F ZINC000848395303 681534957 /nfs/dbraw/zinc/53/49/57/681534957.db2.gz BIHVMFKVQYHPBA-GFCCVEGCSA-N 1 0 356.348 2.328 20 30 FEEDRO CC(C)NS(=O)(=O)c1ccc(N=NC2CCC[N@@H+]3CCCC[C@@H]23)nc1 ZINC000848404604 681535750 /nfs/dbraw/zinc/53/57/50/681535750.db2.gz MUGXETFTTKUIJJ-INIZCTEOSA-N 1 0 365.503 2.185 20 30 FEEDRO C[C@@H]([NH2+][C@H]1CCOC12CCOCC2)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000934402829 681565381 /nfs/dbraw/zinc/56/53/81/681565381.db2.gz CRCZUHQBWQPQMY-WBMJQRKESA-N 1 0 363.845 2.466 20 30 FEEDRO C=C(C)CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)CC1 ZINC000948642404 681592100 /nfs/dbraw/zinc/59/21/00/681592100.db2.gz HFRYWRRCFDGGDC-ZSYWTGECSA-N 1 0 350.503 2.317 20 30 FEEDRO CC(C)(C)OC(=O)N1CCN2C(NC[C@@H]3CCC(F)(F)C3)=[NH+]C[C@H]2C1 ZINC000849097091 681652332 /nfs/dbraw/zinc/65/23/32/681652332.db2.gz ANNYVDFONQOGJZ-OLZOCXBDSA-N 1 0 358.433 2.302 20 30 FEEDRO C[NH+]=C(NCc1c(Br)cncc1Br)NC1CC1 ZINC000849109986 681654895 /nfs/dbraw/zinc/65/48/95/681654895.db2.gz NXNBGHOQLGLAOC-UHFFFAOYSA-N 1 0 362.069 2.434 20 30 FEEDRO CCNC(NC[C@@H](CO)Cc1ccc(F)c(Br)c1)=[NH+]CC ZINC000849109590 681655095 /nfs/dbraw/zinc/65/50/95/681655095.db2.gz ABTWOYZWCHVOHM-LBPRGKRZSA-N 1 0 360.271 2.314 20 30 FEEDRO CN(C)C(=[NH+]C[C@H](CO)Cc1ccc(F)c(Br)c1)N(C)C ZINC000849115811 681657538 /nfs/dbraw/zinc/65/75/38/681657538.db2.gz AUWAGDBRIJEYCW-GFCCVEGCSA-N 1 0 360.271 2.218 20 30 FEEDRO CN(C)C(=[NH+]C[C@@H](CO)Cc1ccc(F)c(Br)c1)N(C)C ZINC000849115812 681657583 /nfs/dbraw/zinc/65/75/83/681657583.db2.gz AUWAGDBRIJEYCW-LBPRGKRZSA-N 1 0 360.271 2.218 20 30 FEEDRO CC(C)(C)OC(=O)N1CCN2C(NCCC3CC(F)(F)C3)=[NH+]C[C@H]2C1 ZINC000849115948 681658155 /nfs/dbraw/zinc/65/81/55/681658155.db2.gz FFSBALFRLMDCIX-ZDUSSCGKSA-N 1 0 358.433 2.302 20 30 FEEDRO C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912901038 685465994 /nfs/dbraw/zinc/46/59/94/685465994.db2.gz XGWBUZVHMWYOTD-UONOGXRCSA-N 1 0 357.882 2.329 20 30 FEEDRO C[NH+]1CCC(NC(=S)NNc2cc(C#N)ccc2Br)CC1 ZINC000849288038 681679075 /nfs/dbraw/zinc/67/90/75/681679075.db2.gz CLYBBZAQQLGYEQ-UHFFFAOYSA-N 1 0 368.304 2.206 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N(CC)C1C[NH+](C[C@@H](OC)C2CCC2)C1 ZINC000950353310 681684486 /nfs/dbraw/zinc/68/44/86/681684486.db2.gz PUDZBDJHLPNKJB-CEXWTWQISA-N 1 0 350.503 2.315 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N(CC)C1C[NH+](CC[C@@H]2CCCCO2)C1 ZINC000950353288 681684556 /nfs/dbraw/zinc/68/45/56/681684556.db2.gz OKBPYJMWSUUQGB-OTWHNJEPSA-N 1 0 350.503 2.460 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)N[C@@H]1CCN(c2ccc(Cl)cc2F)C1=O ZINC000913151942 685473006 /nfs/dbraw/zinc/47/30/06/685473006.db2.gz ISWVSRUNFRYCDB-CQSZACIVSA-N 1 0 353.825 2.209 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(CC)C1C[NH+](CC[C@H]2CCOC2)C1 ZINC000952429461 681784454 /nfs/dbraw/zinc/78/44/54/681784454.db2.gz NQGBAJXZACPQQQ-WDSOQIARSA-N 1 0 350.503 2.317 20 30 FEEDRO C[NH+](C)CC#CCNC(=O)CCCc1nc(-c2ccc(Cl)cc2)no1 ZINC000913517092 685479276 /nfs/dbraw/zinc/47/92/76/685479276.db2.gz RYQQYUXDGVGTSQ-UHFFFAOYSA-N 1 0 360.845 2.394 20 30 FEEDRO COc1ccc(-c2nc(C)sc2CC(=O)NCC#CC[NH+](C)C)cc1 ZINC000913525250 685479306 /nfs/dbraw/zinc/47/93/06/685479306.db2.gz PHBVKIYXAXOLPP-UHFFFAOYSA-N 1 0 357.479 2.351 20 30 FEEDRO C=C(Cl)C(C)(C)C(=O)N1CC(N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC000954412555 681816914 /nfs/dbraw/zinc/81/69/14/681816914.db2.gz LAUOKLAFLDOUAN-LSDHHAIUSA-N 1 0 355.910 2.165 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)NCCSCc2ccccc2C#N)CC1 ZINC000913923401 685488909 /nfs/dbraw/zinc/48/89/09/685488909.db2.gz OKOSIZPTJXMNBE-UHFFFAOYSA-N 1 0 356.495 2.188 20 30 FEEDRO C[NH+](C)[C@H](CNC(=O)NCCNc1ccc(C#N)cn1)c1cccs1 ZINC000915898109 685519380 /nfs/dbraw/zinc/51/93/80/685519380.db2.gz QXDBQGKUIQPUJF-CQSZACIVSA-N 1 0 358.471 2.029 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)NC1CC2(C1)CC([NH2+]CCc1ccns1)C2 ZINC000965160819 682184320 /nfs/dbraw/zinc/18/43/20/682184320.db2.gz OZSCGASNHWUIAB-JUTOSJBISA-N 1 0 361.511 2.294 20 30 FEEDRO C#C[C@](C)(CC)[NH2+]CC(=O)Nc1ccc(S(=O)(=O)N(CC)CC)cc1 ZINC000852099810 682219953 /nfs/dbraw/zinc/21/99/53/682219953.db2.gz DNBRQBNNNOFJBQ-GOSISDBHSA-N 1 0 365.499 2.047 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCCC[N@@H+]1CC1CCOCC1 ZINC000969038203 682254778 /nfs/dbraw/zinc/25/47/78/682254778.db2.gz ZIEJZLAGGVXMAU-QRVBRYPASA-N 1 0 350.503 2.365 20 30 FEEDRO O=C1OCCN1[C@H]1CCN(CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000852437651 682279051 /nfs/dbraw/zinc/27/90/51/682279051.db2.gz ZMTPXNBGFSNVPS-AWEZNQCLSA-N 1 0 354.328 2.463 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCc2c(F)cccc2F)C1 ZINC000970017301 682284221 /nfs/dbraw/zinc/28/42/21/682284221.db2.gz SFSHTYVWWRTNDU-SIIHOXLZSA-N 1 0 350.409 2.289 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H](C)C1C[NH+](CCc2ccns2)C1 ZINC000970561080 682307529 /nfs/dbraw/zinc/30/75/29/682307529.db2.gz SIUYPNUKJGVGQQ-WBAXXEDZSA-N 1 0 363.527 2.493 20 30 FEEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](C(C)C)[C@H](O)c1ccc(Cl)cc1 ZINC000852730794 682328060 /nfs/dbraw/zinc/32/80/60/682328060.db2.gz GSIYHHXKSQTBJY-VBNZEHGJSA-N 1 0 367.877 2.388 20 30 FEEDRO C#C[C@@H]([NH2+][C@H](Cc1ccc(C(F)(F)F)cc1)C(N)=O)C1CCOCC1 ZINC000853078935 682373179 /nfs/dbraw/zinc/37/31/79/682373179.db2.gz VXTXUUZSIVXQLY-HZPDHXFCSA-N 1 0 354.372 2.120 20 30 FEEDRO CC(C)[C@H]([NH2+]C[C@H](O)CN(C)CCC#N)[C@H](O)c1ccc(Cl)cc1 ZINC000853126639 682379665 /nfs/dbraw/zinc/37/96/65/682379665.db2.gz PAHHEKMKXIONAR-OKZBNKHCSA-N 1 0 353.894 2.194 20 30 FEEDRO C=C(Cl)C(C)(C)C(=O)N1C[C@H]2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)C[C@H]21 ZINC000972339386 682407474 /nfs/dbraw/zinc/40/74/74/682407474.db2.gz DQIKDBJQUVHJGL-OWCLPIDISA-N 1 0 367.921 2.309 20 30 FEEDRO C=C(Cl)C(C)(C)C(=O)N1C[C@H]2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)C[C@H]21 ZINC000972339856 682407568 /nfs/dbraw/zinc/40/75/68/682407568.db2.gz MOEQGPUOOWTNOY-OAGGEKHMSA-N 1 0 367.921 2.165 20 30 FEEDRO C#CCN(CC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000853475806 682420237 /nfs/dbraw/zinc/42/02/37/682420237.db2.gz WWVCDZLRAZDCTJ-HOTGVXAUSA-N 1 0 351.491 2.093 20 30 FEEDRO Cc1nsc(N2CCN(C(=O)CCCC[NH+]3CCCC3)CC2)c1C#N ZINC000793450767 682890076 /nfs/dbraw/zinc/89/00/76/682890076.db2.gz OBCWRQRSHRCHGJ-UHFFFAOYSA-N 1 0 361.515 2.238 20 30 FEEDRO C#CCOc1ccc(Br)cc1C[NH2+]C[C@@H](O)[C@H]1CCCO1 ZINC000858226486 682946945 /nfs/dbraw/zinc/94/69/45/682946945.db2.gz OEDGDMLGOPHUNQ-GDBMZVCRSA-N 1 0 354.244 2.091 20 30 FEEDRO COc1c[nH+]ccc1N1CCN(C(=S)Nc2ccccc2C#N)CC1 ZINC000795026107 683009423 /nfs/dbraw/zinc/00/94/23/683009423.db2.gz HRDNZQZLWBKZJG-UHFFFAOYSA-N 1 0 353.451 2.481 20 30 FEEDRO C#CC[C@H](CCOC)NC(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000859024509 683028312 /nfs/dbraw/zinc/02/83/12/683028312.db2.gz GHLTZKWFQOTJLU-MRXNPFEDSA-N 1 0 353.532 2.076 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC000795576386 683069011 /nfs/dbraw/zinc/06/90/11/683069011.db2.gz YWNSLFCCVVSWNV-HNNXBMFYSA-N 1 0 357.376 2.433 20 30 FEEDRO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)c1ccc(C#N)c(Cl)c1)C2 ZINC000926159105 683084809 /nfs/dbraw/zinc/08/48/09/683084809.db2.gz HURNQFMGODJKAJ-VXNCWWDNSA-N 1 0 361.873 2.421 20 30 FEEDRO [NH3+]CC[C@@H](NC(=O)N1CC[C@@]2(CC(F)(F)C2(F)F)C1)C(F)(F)F ZINC000926169838 683087479 /nfs/dbraw/zinc/08/74/79/683087479.db2.gz NCTPOUPGEDMEBV-VXNVDRBHSA-N 1 0 351.266 2.342 20 30 FEEDRO C=CCOCCC[NH2+][C@H]1[C@@H]2COC[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C2 ZINC000926703624 683163629 /nfs/dbraw/zinc/16/36/29/683163629.db2.gz LZSXBOVUVNCUDZ-DSPLQEQRSA-N 1 0 354.491 2.487 20 30 FEEDRO C[C@H](C#N)Oc1ccc(C[NH2+]C[C@H]2CCCC[C@@H]2NS(C)(=O)=O)cc1 ZINC000796491960 683165893 /nfs/dbraw/zinc/16/58/93/683165893.db2.gz XLFJRMOAWIWHBH-KYJSFNMBSA-N 1 0 365.499 2.175 20 30 FEEDRO C[NH2+]CCN(C(=O)C(=O)Nc1ccccc1SC[C@@H](C)C#N)C(C)C ZINC000927867728 683328701 /nfs/dbraw/zinc/32/87/01/683328701.db2.gz QEOLYXMGJGJVOL-AWEZNQCLSA-N 1 0 362.499 2.333 20 30 FEEDRO C[C@H]1CN(C(=O)C(=O)Nc2ccccc2SCCC#N)CC[C@H]1C[NH3+] ZINC000927895508 683336515 /nfs/dbraw/zinc/33/65/15/683336515.db2.gz YHWFTYWANRAISI-KBPBESRZSA-N 1 0 360.483 2.074 20 30 FEEDRO C=CCN1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2CNC(=O)OC(C)(C)C)C1=O ZINC000799165003 683431646 /nfs/dbraw/zinc/43/16/46/683431646.db2.gz PTCOLSIEKCUGNC-XHSDSOJGSA-N 1 0 351.491 2.446 20 30 FEEDRO C#CC[C@H](CO)NC(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000921701720 683549088 /nfs/dbraw/zinc/54/90/88/683549088.db2.gz BNPWCLWIWIDMNX-CKEIUWERSA-N 1 0 367.852 2.155 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)N[C@H](COC)c2ccc(F)c(F)c2)CC1 ZINC000921799762 683578626 /nfs/dbraw/zinc/57/86/26/683578626.db2.gz WGJLZUBJRAKVDD-QGZVFWFLSA-N 1 0 351.397 2.049 20 30 FEEDRO N#Cc1ccc(Br)c(C[NH2+]C[C@@H]2CCCS(=O)(=O)C2)c1 ZINC000922128775 683665891 /nfs/dbraw/zinc/66/58/91/683665891.db2.gz HYYLUZJXCZYVLU-LBPRGKRZSA-N 1 0 357.273 2.235 20 30 FEEDRO C[N@@H+]1CCC(N=Nc2ccc(S(=O)(=O)NC(C)(C)C)cn2)CC1(C)C ZINC000863079504 683676741 /nfs/dbraw/zinc/67/67/41/683676741.db2.gz PHONJESVLICZEM-UHFFFAOYSA-N 1 0 367.519 2.431 20 30 FEEDRO N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000922242661 683686506 /nfs/dbraw/zinc/68/65/06/683686506.db2.gz MPYQTWDVIOGFQH-KSZLIROESA-N 1 0 356.495 2.425 20 30 FEEDRO N#CC1(C[C@H](O)C[NH2+]C[C@@H](O)c2cc(F)cc(Cl)c2)CCOCC1 ZINC000863562929 683742607 /nfs/dbraw/zinc/74/26/07/683742607.db2.gz NGQZUXFDSWPJHA-JKSUJKDBSA-N 1 0 356.825 2.173 20 30 FEEDRO N#Cc1ccccc1OC[C@@H](O)C[NH2+]C[C@H](O)c1ccc(Cl)c(F)c1 ZINC000863561157 683742724 /nfs/dbraw/zinc/74/27/24/683742724.db2.gz CLMKVMBDQVIBLP-YOEHRIQHSA-N 1 0 364.804 2.414 20 30 FEEDRO CC(C)(Cc1ccc(C#N)cc1)[NH2+]Cc1ccc(S(N)(=O)=O)cc1F ZINC000922603571 683752334 /nfs/dbraw/zinc/75/23/34/683752334.db2.gz JVDNKGYGCLLDNY-UHFFFAOYSA-N 1 0 361.442 2.456 20 30 FEEDRO Cc1cc(C(=O)N(CCC#N)CCC[NH+](C)C)cnc1Br ZINC000930702795 683773305 /nfs/dbraw/zinc/77/33/05/683773305.db2.gz JEKVXVBGAGGLFF-UHFFFAOYSA-N 1 0 353.264 2.460 20 30 FEEDRO C#CC1(O)CC[NH+](CCC(=O)Nc2ccccc2Br)CC1 ZINC000931147786 683841502 /nfs/dbraw/zinc/84/15/02/683841502.db2.gz JLPIQHZALSSICQ-UHFFFAOYSA-N 1 0 351.244 2.238 20 30 FEEDRO C=C(Cl)C[C@H]1NC(=O)N(c2ccc(N3CC[NH+](CC)CC3)cc2)C1=O ZINC000864550558 683866698 /nfs/dbraw/zinc/86/66/98/683866698.db2.gz LJPPVGNPTXMKKS-MRXNPFEDSA-N 1 0 362.861 2.396 20 30 FEEDRO N#Cc1ccccc1CSCC[NH2+]Cc1cn(C[C@@H]2CCCO2)nn1 ZINC000865405333 683979699 /nfs/dbraw/zinc/97/96/99/683979699.db2.gz GRECHZPPHQNQBJ-SFHVURJKSA-N 1 0 357.483 2.352 20 30 FEEDRO C[C@H]([NH2+]C1CCN(c2ccccc2C#N)CC1)C1CCS(=O)(=O)CC1 ZINC000866448223 684106001 /nfs/dbraw/zinc/10/60/01/684106001.db2.gz BQCYAKUKQZAFAN-HNNXBMFYSA-N 1 0 361.511 2.330 20 30 FEEDRO N#Cc1cc(F)cc(S(=O)(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000866994070 684193260 /nfs/dbraw/zinc/19/32/60/684193260.db2.gz OCFLDBIUJSZOPU-KSSFIOAISA-N 1 0 363.458 2.335 20 30 FEEDRO C[N@H+]1C[C@H]2CN(C(=O)Nc3ccc(OC(F)(F)F)c(C#N)c3)C[C@H]2C1 ZINC000931281745 684253861 /nfs/dbraw/zinc/25/38/61/684253861.db2.gz XGHYXXFEPUSCTL-TXEJJXNPSA-N 1 0 354.332 2.482 20 30 FEEDRO FC1(F)[C@@H]2CN(C[C@H]3C[NH2+]CCO3)C[C@H]2C(F)(F)C(F)(F)C1(F)F ZINC000923530824 684299821 /nfs/dbraw/zinc/29/98/21/684299821.db2.gz KERCIRBABOSFPM-IWSPIJDZSA-N 1 0 368.268 2.078 20 30 FEEDRO N#Cc1c(NC(=O)CC[N@@H+]2CC[C@@H](C3OCCO3)C2)sc2c1CCC2 ZINC000932005799 684387835 /nfs/dbraw/zinc/38/78/35/684387835.db2.gz WZHOMCGDPWUPAV-GFCCVEGCSA-N 1 0 361.467 2.132 20 30 FEEDRO C[N@@H+]1CC[C@H]2CN(S(=O)(=O)c3ccc(C(F)(F)F)cc3C#N)CC[C@H]21 ZINC000867813316 684397413 /nfs/dbraw/zinc/39/74/13/684397413.db2.gz UXYXSFKPDUHFGE-SMDDNHRTSA-N 1 0 373.400 2.292 20 30 FEEDRO C=CCN(CC=C)[C@H](C[NH2+][C@H](C)C1CCN(S(C)(=O)=O)CC1)C(C)C ZINC000924642673 684476563 /nfs/dbraw/zinc/47/65/63/684476563.db2.gz JAHVPELDMOYVJV-IEBWSBKVSA-N 1 0 371.591 2.335 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)C(=O)N1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000868356589 684485474 /nfs/dbraw/zinc/48/54/74/684485474.db2.gz AQJIOCAPSBAIPJ-LJQANCHMSA-N 1 0 363.527 2.486 20 30 FEEDRO C#CCSCC[NH2+][C@@H]1[C@@H]2COC[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C2 ZINC000925455848 684563704 /nfs/dbraw/zinc/56/37/04/684563704.db2.gz RQHGUNRQUMZDOW-GEEKYZPCSA-N 1 0 354.516 2.261 20 30 FEEDRO C=C(C[NH+](C)C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]([C@@H]1C)N2C(=O)OC(C)(C)C ZINC000870499022 684725887 /nfs/dbraw/zinc/72/58/87/684725887.db2.gz REUUJVHHXPXVLY-FPCVCCKLSA-N 1 0 351.491 2.397 20 30 FEEDRO N#Cc1ccc(OC[C@@H](O)C[NH2+]Cc2ccc(Br)cn2)cc1 ZINC000872233657 684930121 /nfs/dbraw/zinc/93/01/21/684930121.db2.gz DWIMHZKTTKUERA-HNNXBMFYSA-N 1 0 362.227 2.245 20 30 FEEDRO CN(CCC#N)C[C@H](O)C[NH2+]Cc1cc(C(F)(F)F)cc(Cl)n1 ZINC000872246772 684931805 /nfs/dbraw/zinc/93/18/05/684931805.db2.gz MSQVRBARRNGBSG-GFCCVEGCSA-N 1 0 350.772 2.050 20 30 FEEDRO C#CC[C@H](COC)NC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F ZINC000875923093 686104018 /nfs/dbraw/zinc/10/40/18/686104018.db2.gz WXXSWXYOWCOYNJ-MRXNPFEDSA-N 1 0 353.413 2.076 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NCCCc1nnc(SC)n1CC(C)C ZINC000876602989 686226599 /nfs/dbraw/zinc/22/65/99/686226599.db2.gz IQMYKIJFXYBYMO-LBPRGKRZSA-N 1 0 359.927 2.175 20 30 FEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)Nc1ccc(OC)cc1 ZINC000876606256 686227210 /nfs/dbraw/zinc/22/72/10/686227210.db2.gz ZJVUAEUOPHWVSN-CABCVRRESA-N 1 0 351.834 2.095 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)Nc1ccc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000876613636 686228695 /nfs/dbraw/zinc/22/86/95/686228695.db2.gz GGGHKJOTKPRTOQ-ZENOOKHLSA-N 1 0 365.861 2.344 20 30 FEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC(NC(=O)Nc2ccccc2)CC1 ZINC000876619973 686229745 /nfs/dbraw/zinc/22/97/45/686229745.db2.gz HOOLNSRLVTZLFZ-OAHLLOKOSA-N 1 0 350.850 2.269 20 30 FEEDRO CO[C@H](C)c1nc(CNC(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)cs1 ZINC000876781477 686267647 /nfs/dbraw/zinc/26/76/47/686267647.db2.gz LZIAXRLHHRGIFA-BZNIZROVSA-N 1 0 356.451 2.225 20 30 FEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000876894210 686289045 /nfs/dbraw/zinc/28/90/45/686289045.db2.gz MFWODAJAFPRGLP-OLZOCXBDSA-N 1 0 360.216 2.171 20 30 FEEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]CCS(=O)(=O)CCc1ccccc1 ZINC000877501401 686393029 /nfs/dbraw/zinc/39/30/29/686393029.db2.gz OOFDQFXFEQRZNT-KRWDZBQOSA-N 1 0 364.511 2.332 20 30 FEEDRO C#C[C@@H]([NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1)C(C)(C)C ZINC000877535287 686404486 /nfs/dbraw/zinc/40/44/86/686404486.db2.gz XVYLJIHBMJBSQW-CYBMUJFWSA-N 1 0 359.289 2.234 20 30 FEEDRO C[N@@H+]1CC[C@@H]2CN(CCC(=O)Nc3sc4c(c3C#N)CCC4)CC[C@H]21 ZINC000879575783 686860758 /nfs/dbraw/zinc/86/07/58/686860758.db2.gz OWORMDYGUMGIBS-CZUORRHYSA-N 1 0 358.511 2.463 20 30 FEEDRO CONC(=O)C1CC[NH+](CC#Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000879923813 686946828 /nfs/dbraw/zinc/94/68/28/686946828.db2.gz KBUVIATYVXAQLZ-UHFFFAOYSA-N 1 0 356.344 2.326 20 30 FEEDRO C#CCOCC[N@H+]1C[C@H](CNC(=O)OC(C)(C)C)[C@H](C(F)(F)F)C1 ZINC000880025992 686978037 /nfs/dbraw/zinc/97/80/37/686978037.db2.gz CUKKOAFOQKRKAF-QWHCGFSZSA-N 1 0 350.381 2.271 20 30 FEEDRO C#CC[C@@H](CO)NC(=O)Nc1nc2ccc(C[N@@H+](C)C3CC3)cc2s1 ZINC000880093342 686997111 /nfs/dbraw/zinc/99/71/11/686997111.db2.gz SIHDTEPMDWZCKT-ZDUSSCGKSA-N 1 0 358.467 2.396 20 30 FEEDRO C=CCCc1ccc(S(=O)(=O)NCCCN2CCC[N@@H+](C)CC2)cc1 ZINC000882523828 687385207 /nfs/dbraw/zinc/38/52/07/687385207.db2.gz BYRYFYXWNWFUJH-UHFFFAOYSA-N 1 0 365.543 2.111 20 30 FEEDRO Cc1cccc(C#N)c1S(=O)(=O)N1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000882619528 687410984 /nfs/dbraw/zinc/41/09/84/687410984.db2.gz NXGXDPZGKHOPDN-HNNXBMFYSA-N 1 0 356.451 2.161 20 30 FEEDRO Cc1ccc(C#N)cc1S(=O)(=O)N1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000882621135 687411867 /nfs/dbraw/zinc/41/18/67/687411867.db2.gz MAJRTXOGVHSIPE-HNNXBMFYSA-N 1 0 356.451 2.161 20 30 FEEDRO N#Cc1nc(NC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)ccc1Br ZINC000883079153 687558820 /nfs/dbraw/zinc/55/88/20/687558820.db2.gz LNYZFAZSTMQVFD-YPMHNXCESA-N 1 0 364.247 2.464 20 30 FEEDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)Nc1ccc(Br)c(C#N)n1 ZINC000883113751 687569043 /nfs/dbraw/zinc/56/90/43/687569043.db2.gz CAEVSPPCKSBOLD-SNVBAGLBSA-N 1 0 352.236 2.274 20 30 FEEDRO CCCCCCCCNC(=O)C(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000884667901 687902089 /nfs/dbraw/zinc/90/20/89/687902089.db2.gz BNXGZIJMPSCWDM-OLZOCXBDSA-N 1 0 351.413 2.059 20 30 FEEDRO N#Cc1cc(S(=O)(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)ccc1C(F)(F)F ZINC000884957416 687975201 /nfs/dbraw/zinc/97/52/01/687975201.db2.gz PXNFSOQLJDTRKR-QWHCGFSZSA-N 1 0 373.400 2.482 20 30 FEEDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1cccc(Cl)c1C#N ZINC000885456664 688076815 /nfs/dbraw/zinc/07/68/15/688076815.db2.gz CUXGWJNUDWZISU-OLZOCXBDSA-N 1 0 353.875 2.459 20 30 FEEDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000885457842 688078013 /nfs/dbraw/zinc/07/80/13/688078013.db2.gz XSLWXYUODIPMLV-CABCVRRESA-N 1 0 353.875 2.459 20 30 FEEDRO C#CCN(C(=O)c1ccc(OC)c(OC(F)F)c1)C1CC[NH+](C)CC1 ZINC000886583280 688279615 /nfs/dbraw/zinc/27/96/15/688279615.db2.gz JNXGPKAQGXTKAQ-UHFFFAOYSA-N 1 0 352.381 2.466 20 30 FEEDRO C#CCN(C(=O)c1cc(Br)ccc1O)C1CC[NH+](C)CC1 ZINC000886585517 688280410 /nfs/dbraw/zinc/28/04/10/688280410.db2.gz YZGQGEUDLMFDJT-UHFFFAOYSA-N 1 0 351.244 2.324 20 30 FEEDRO C=CCC1(O)CC[NH+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC000886776223 688308662 /nfs/dbraw/zinc/30/86/62/688308662.db2.gz AABDWXQWQKDJHN-UHFFFAOYSA-N 1 0 351.378 2.466 20 30 FEEDRO N#CCCc1ccc(S(=O)(=O)N2CCc3ccccc3[C@@H]2C[NH3+])cc1 ZINC000886888240 688333269 /nfs/dbraw/zinc/33/32/69/688333269.db2.gz XDAUKSKOJXDERJ-IBGZPJMESA-N 1 0 355.463 2.390 20 30 FEEDRO C#CCC1([NH2+]CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CCOCC1 ZINC000887124434 688369925 /nfs/dbraw/zinc/36/99/25/688369925.db2.gz DHMVKIOWAQHCMR-UHFFFAOYSA-N 1 0 351.790 2.349 20 30 FEEDRO N#Cc1sc(NC(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)nc1Cl ZINC000888412623 688607150 /nfs/dbraw/zinc/60/71/50/688607150.db2.gz PCXWRGRNQBAAAA-LLVKDONJSA-N 1 0 369.878 2.433 20 30 FEEDRO COc1cccc([C@H](CNC(=O)NCc2nc(C#N)cs2)[NH+](C)C)c1 ZINC000891539421 689075241 /nfs/dbraw/zinc/07/52/41/689075241.db2.gz UTMXUVBBUUJHOJ-HNNXBMFYSA-N 1 0 359.455 2.125 20 30 FEEDRO C[C@H]1C[NH+](CCCNC(=O)N(C)Cc2cc(C#N)cs2)C[C@H](C)O1 ZINC000891728693 689098091 /nfs/dbraw/zinc/09/80/91/689098091.db2.gz OCWHOPVIPJMXIA-KBPBESRZSA-N 1 0 350.488 2.260 20 30 FEEDRO CC[NH+](CC)[C@@H](CNC(=O)N1CCO[C@@](C)(C#N)C1)c1ccsc1 ZINC000891875939 689121032 /nfs/dbraw/zinc/12/10/32/689121032.db2.gz DDVLXCXPCCLOLI-RDJZCZTQSA-N 1 0 350.488 2.455 20 30 FEEDRO N#Cc1cc(N2CCC(CC[NH+]3CCOCC3)CC2)c([N+](=O)[O-])s1 ZINC000892139483 689155984 /nfs/dbraw/zinc/15/59/84/689155984.db2.gz AQQXRFAJMINAKK-UHFFFAOYSA-N 1 0 350.444 2.467 20 30 FEEDRO CSc1ccc(CNC(=O)N2CCc3sc(C[NH3+])nc3C2)cc1C#N ZINC000892876682 689258039 /nfs/dbraw/zinc/25/80/39/689258039.db2.gz JBGDQVIJMSKNQY-UHFFFAOYSA-N 1 0 373.507 2.463 20 30 FEEDRO C[C@H]1C[N@H+](CCCOC(=O)c2cnc(C(F)(F)F)c(C#N)c2)CCO1 ZINC000893384895 689340423 /nfs/dbraw/zinc/34/04/23/689340423.db2.gz AYZSHUVVPSTJKZ-NSHDSACASA-N 1 0 357.332 2.240 20 30 FEEDRO COC(=O)[C@H]1[C@@H](C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)C1(F)F ZINC000893996142 689446059 /nfs/dbraw/zinc/44/60/59/689446059.db2.gz ZBHUIMGLFJCHLZ-HZPDHXFCSA-N 1 0 350.365 2.456 20 30 FEEDRO COC(=O)[C@H]1[C@H](C[NH2+]C2(c3cccc(C#N)c3)CCOCC2)C1(F)F ZINC000895277035 689688979 /nfs/dbraw/zinc/68/89/79/689688979.db2.gz BPSIHKHXFCCACT-LSDHHAIUSA-N 1 0 350.365 2.208 20 30 FEEDRO C=CCC1(O)CC[NH+](Cc2cnn3cc(Br)cnc23)CC1 ZINC000895834479 689777780 /nfs/dbraw/zinc/77/77/80/689777780.db2.gz LUXMVYJEFWDMAD-UHFFFAOYSA-N 1 0 351.248 2.395 20 30 FEEDRO C=CCNc1ncc(C(=O)Nc2c[nH+]ccc2N2CCN(C)CC2)s1 ZINC000900338860 690503777 /nfs/dbraw/zinc/50/37/77/690503777.db2.gz KLDNRCSRKLYMFL-UHFFFAOYSA-N 1 0 358.471 2.140 20 30 FEEDRO C[C@H]([NH2+]CCNC(=O)c1ccc(Br)cn1)c1cc(C#N)ccn1 ZINC000903047947 690838591 /nfs/dbraw/zinc/83/85/91/690838591.db2.gz UFHLPVWHADQZRL-NSHDSACASA-N 1 0 374.242 2.191 20 30 FEEDRO C=CCC[C@@H](COc1ccccc1)[NH2+]C[C@]1(OC)CCS(=O)(=O)C1 ZINC000903363888 690885828 /nfs/dbraw/zinc/88/58/28/690885828.db2.gz SIZWWWDMGBVWAW-FUHWJXTLSA-N 1 0 353.484 2.194 20 30 FEEDRO CC(C)(CCC[NH3+])NS(=O)(=O)c1ccc(Br)c(C#N)c1 ZINC000903499388 690901644 /nfs/dbraw/zinc/90/16/44/690901644.db2.gz JFQGNSGZNYBMTE-UHFFFAOYSA-N 1 0 360.277 2.117 20 30 FEEDRO Cc1cc(C#N)cc(C)c1CS(=O)(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000903518746 690908334 /nfs/dbraw/zinc/90/83/34/690908334.db2.gz QSSMUAHCIATTHR-LJQANCHMSA-N 1 0 361.511 2.469 20 30 FEEDRO Cc1cc(C#N)cc(C)c1CS(=O)(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000903526184 690911911 /nfs/dbraw/zinc/91/19/11/690911911.db2.gz CEORWSSJUDIBQQ-IBGZPJMESA-N 1 0 361.511 2.471 20 30 FEEDRO C=CCCc1ccc(S(=O)(=O)N2CC[NH2+]CCC23CCOCC3)cc1 ZINC000903549433 690921920 /nfs/dbraw/zinc/92/19/20/690921920.db2.gz KFVIZARRBDCENT-UHFFFAOYSA-N 1 0 364.511 2.338 20 30 FEEDRO N#Cc1ccc(-n2ccc(NC(=O)N[C@@H]3C[C@@H]4CC[C@H]3[NH2+]4)n2)c(Cl)c1 ZINC000904416571 691026381 /nfs/dbraw/zinc/02/63/81/691026381.db2.gz OUNCAIPFWPTCPB-IACUBPJLSA-N 1 0 356.817 2.412 20 30 FEEDRO C=C(C)CN1CCC([NH2+]C[C@]2(O)CCCC[C@H]2CC(=O)OCC)CC1 ZINC000905094134 691066363 /nfs/dbraw/zinc/06/63/63/691066363.db2.gz DBLWWGZZWJOPAA-FXAWDEMLSA-N 1 0 352.519 2.491 20 30 FEEDRO N#Cc1ccc(-c2cccc(C[NH2+]C[C@@H](O)C[C@@]3(O)CCOC3)c2)s1 ZINC000905134728 691072318 /nfs/dbraw/zinc/07/23/18/691072318.db2.gz OHBKJGXETSZMTE-LPHOPBHVSA-N 1 0 358.463 2.279 20 30 FEEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@@H]1C[NH2+]CC1(C)C ZINC000906709731 691305025 /nfs/dbraw/zinc/30/50/25/691305025.db2.gz VOSSLLGSWKYWKO-SWLSCSKDSA-N 1 0 360.483 2.134 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)NC[C@@H](CO)Cc1ccc(Br)cc1 ZINC000907739022 691550656 /nfs/dbraw/zinc/55/06/56/691550656.db2.gz ROJXZHOUXUVKRF-HNNXBMFYSA-N 1 0 369.303 2.224 20 30 FEEDRO C#C[C@H](NC(=O)C[C@@]1(O)CCC[N@@H+](C)C1)c1ccc(Br)cc1 ZINC000908516404 691692563 /nfs/dbraw/zinc/69/25/63/691692563.db2.gz IELVHSFCGWCDLF-RDJZCZTQSA-N 1 0 365.271 2.086 20 30 FEEDRO CCOC(=O)C1CC[NH+](C2CCN(c3nccc(OC)c3C#N)CC2)CC1 ZINC001164613944 719024618 /nfs/dbraw/zinc/02/46/18/719024618.db2.gz KLUXXXFKMXYITL-UHFFFAOYSA-N 1 0 372.469 2.206 20 30 FEEDRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc(OC)c(C#N)cn1)C2 ZINC001164808541 720070940 /nfs/dbraw/zinc/07/09/40/720070940.db2.gz HYSYXBTXLBMQCX-YLJYHZDGSA-N 1 0 356.470 2.147 20 30 FEEDRO Cc1cnc(N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)c(C#N)c1 ZINC001164811704 720213345 /nfs/dbraw/zinc/21/33/45/720213345.db2.gz JUJXSNJOLFHULE-UHFFFAOYSA-N 1 0 366.469 2.069 20 30 FEEDRO Cc1ccc(C#N)c(N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)n1 ZINC001164811493 720216461 /nfs/dbraw/zinc/21/64/61/720216461.db2.gz IOXVIIPDFXYAFX-UHFFFAOYSA-N 1 0 366.469 2.069 20 30 FEEDRO N#Cc1cc(Cl)cc(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)n1 ZINC001164727279 720560030 /nfs/dbraw/zinc/56/00/30/720560030.db2.gz CTIHZWIPHHHLDA-UHFFFAOYSA-N 1 0 356.861 2.462 20 30 FEEDRO N#Cc1c[nH]c2nc(N3CCc4ncc(C[NH+]5CCCC5)n4CC3)ccc12 ZINC001164730387 720569741 /nfs/dbraw/zinc/56/97/41/720569741.db2.gz VFMUSPJWGZRUKM-UHFFFAOYSA-N 1 0 361.453 2.290 20 30 FEEDRO Cc1cc(Cl)nc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)c1C#N ZINC001164744445 720622791 /nfs/dbraw/zinc/62/27/91/720622791.db2.gz SJZPNIRRPQRLCP-KBPBESRZSA-N 1 0 370.844 2.047 20 30 FEEDRO CC(C)c1ccc(C#N)c(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164742262 720630804 /nfs/dbraw/zinc/63/08/04/720630804.db2.gz MJSRXIBFVYPXMV-IAGOWNOFSA-N 1 0 364.453 2.209 20 30 FEEDRO COCC[N@@H+]1CCO[C@H]2CN(c3nc(C(C)C)ccc3C#N)CC[C@H]2C1 ZINC001164854896 720837227 /nfs/dbraw/zinc/83/72/27/720837227.db2.gz SRUXYDDBGZPOIQ-HKUYNNGSSA-N 1 0 358.486 2.250 20 30 FEEDRO Cc1cc(C#N)c(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)nc1C ZINC001164865965 721076414 /nfs/dbraw/zinc/07/64/14/721076414.db2.gz QLFJPBSOLTZPTQ-WOJBJXKFSA-N 1 0 363.465 2.445 20 30 FEEDRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4cc(Cl)cc(C#N)n4)C[C@H]3C2)cn1 ZINC001164764870 721112287 /nfs/dbraw/zinc/11/22/87/721112287.db2.gz IGPDLYWSYDTBSU-LSDHHAIUSA-N 1 0 356.861 2.298 20 30 FEEDRO N#Cc1cc2nc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)ccc2[nH]1 ZINC001164880680 721135279 /nfs/dbraw/zinc/13/52/79/721135279.db2.gz WZGMFVVAESZNMB-ROUUACIJSA-N 1 0 374.448 2.309 20 30 FEEDRO Cc1nc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)ccc1CC#N ZINC001164880934 721155773 /nfs/dbraw/zinc/15/57/73/721155773.db2.gz XWMRUFATBLHSFS-WOJBJXKFSA-N 1 0 363.465 2.331 20 30 FEEDRO Cc1ccc(CC#N)c(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164877638 721156543 /nfs/dbraw/zinc/15/65/43/721156543.db2.gz PKRQYJKBGIVVNL-UXHICEINSA-N 1 0 363.465 2.331 20 30 FEEDRO N#Cc1nc(Cl)cnc1N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164897210 721519780 /nfs/dbraw/zinc/51/97/80/721519780.db2.gz FIXFYLQWBOOFMY-HIFRSBDPSA-N 1 0 373.819 2.483 20 30 FEEDRO N#Cc1cnc(Cl)nc1N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164898532 721521082 /nfs/dbraw/zinc/52/10/82/721521082.db2.gz IIOJWRJGVDQDPR-GDBMZVCRSA-N 1 0 373.819 2.483 20 30 FEEDRO N#Cc1cnc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c(C#N)c1 ZINC001164898161 721523532 /nfs/dbraw/zinc/52/35/32/721523532.db2.gz IDBYGMBIOWKUBR-HKUYNNGSSA-N 1 0 363.396 2.306 20 30 FEEDRO N#Cc1c(F)cccc1-n1ccc(NC(=O)NCC[N@H+]2CC=CCC2)n1 ZINC000517662779 887610184 /nfs/dbraw/zinc/61/01/84/887610184.db2.gz UDRUPJJHLJGVQY-UHFFFAOYSA-N 1 0 354.389 2.266 20 30 FEEDRO CN1CC[NH+](CCCCNc2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000526953212 887640321 /nfs/dbraw/zinc/64/03/21/887640321.db2.gz NPKOZQFYVGHLDB-UHFFFAOYSA-N 1 0 368.441 2.454 20 30 FEEDRO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)Cc1ccc(Br)cc1 ZINC000024370907 539730134 /nfs/dbraw/zinc/73/01/34/539730134.db2.gz LQOVUXAFSMPTSG-LLVKDONJSA-N 1 0 354.248 2.281 20 30 FEEDRO N#CCc1ccc(OC[C@@H](O)C[NH+]2CCN(c3ccc(O)cc3)CC2)cc1 ZINC000025865915 539771338 /nfs/dbraw/zinc/77/13/38/539771338.db2.gz MHMZLSFNQWSRAS-FQEVSTJZSA-N 1 0 367.449 2.020 20 30 FEEDRO C[C@@H](c1cccc(N2CCCS2(=O)=O)c1)[N@H+](C)CCOCCC#N ZINC000549938819 674074063 /nfs/dbraw/zinc/07/40/63/674074063.db2.gz MCEAEGIUTLDBHF-HNNXBMFYSA-N 1 0 351.472 2.150 20 30 FEEDRO C[NH+]1CCC(C#N)(NC(=O)c2ccc(I)cc2)CC1 ZINC000040221778 540008555 /nfs/dbraw/zinc/00/85/55/540008555.db2.gz YNFBGWWTQSULRT-UHFFFAOYSA-N 1 0 369.206 2.009 20 30 FEEDRO C=CCN1C(=O)c2ccc(C(=O)NCC(C)(C)[NH+]3CCCCC3)cc2C1=O ZINC000042159759 540054261 /nfs/dbraw/zinc/05/42/61/540054261.db2.gz BKLYJNMBYIUIHK-UHFFFAOYSA-N 1 0 369.465 2.463 20 30 FEEDRO COc1cc(C#N)ccc1OCC(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000044582441 540131760 /nfs/dbraw/zinc/13/17/60/540131760.db2.gz QOQIQNZBTCDRCK-IYBDPMFKSA-N 1 0 359.470 2.430 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Cn1ncc2ccccc2c1=O)C(C)C ZINC000047633758 540322013 /nfs/dbraw/zinc/32/20/13/540322013.db2.gz XENSZZDDDAFJDQ-LJQANCHMSA-N 1 0 368.481 2.211 20 30 FEEDRO C=CCOc1ccc(C(=O)N2CCC(C[NH+]3CCOCC3)CC2)cc1OC ZINC000048481054 540364014 /nfs/dbraw/zinc/36/40/14/540364014.db2.gz QIUFSYXGGCBHEN-UHFFFAOYSA-N 1 0 374.481 2.444 20 30 FEEDRO C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)Nc1ccc(Cl)c(C#N)n1 ZINC000534493859 540373662 /nfs/dbraw/zinc/37/36/62/540373662.db2.gz MNYUQIIMUWJOOY-INIZCTEOSA-N 1 0 371.872 2.308 20 30 FEEDRO CCc1cc(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n2ncnc2n1 ZINC000051502357 540436130 /nfs/dbraw/zinc/43/61/30/540436130.db2.gz DFKCDYKKQNVOJP-UHFFFAOYSA-N 1 0 361.453 2.271 20 30 FEEDRO N#CCc1ccc(OC[C@@H](O)CN2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000052003683 540450717 /nfs/dbraw/zinc/45/07/17/540450717.db2.gz NPNNIXDGZRBVLZ-FQEVSTJZSA-N 1 0 357.498 2.443 20 30 FEEDRO CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCC(C(=O)Nc2ncccc2C)CC1 ZINC000054209008 540575788 /nfs/dbraw/zinc/57/57/88/540575788.db2.gz FCVAYIJQSITYLO-HNNXBMFYSA-N 1 0 371.485 2.049 20 30 FEEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[NH+]3CCC(C(N)=O)CC3)sc2C1 ZINC000054423911 540589977 /nfs/dbraw/zinc/58/99/77/540589977.db2.gz YGKMNJDUMDKDLJ-LBPRGKRZSA-N 1 0 374.510 2.270 20 30 FEEDRO COc1ccccc1S(=O)(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000056065779 540698660 /nfs/dbraw/zinc/69/86/60/540698660.db2.gz KLGQEXJUJRBVBZ-UHFFFAOYSA-N 1 0 373.478 2.319 20 30 FEEDRO CCOc1ccc(C#N)cc1NC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000056562143 540733788 /nfs/dbraw/zinc/73/37/88/540733788.db2.gz BZVULVXCZVWUQB-MRXNPFEDSA-N 1 0 360.458 2.435 20 30 FEEDRO C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)CCOc1ccc(C#N)cc1 ZINC000057842860 540819175 /nfs/dbraw/zinc/81/91/75/540819175.db2.gz SAEVQENPBCVBTQ-AWEZNQCLSA-N 1 0 359.451 2.277 20 30 FEEDRO CCN(CC)C(=O)C1CC[NH+](C[C@@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000058524679 540847434 /nfs/dbraw/zinc/84/74/34/540847434.db2.gz XOKZJTZVDHWNJK-LJQANCHMSA-N 1 0 373.497 2.073 20 30 FEEDRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)N=c2cc(C)n(CCC#N)[nH]2)C1 ZINC000539716367 540985306 /nfs/dbraw/zinc/98/53/06/540985306.db2.gz QFCSCYHYKMRQFC-INIZCTEOSA-N 1 0 362.478 2.070 20 30 FEEDRO N#Cc1cccnc1N1CCC[N@@H+](C[C@H](O)COc2ccc(F)cc2)CC1 ZINC000064633120 541213273 /nfs/dbraw/zinc/21/32/73/541213273.db2.gz FGPDCIJSNOTNFR-SFHVURJKSA-N 1 0 370.428 2.044 20 30 FEEDRO CC(C)[NH+]1CCC(N(C)C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)CC1 ZINC000066240134 541293732 /nfs/dbraw/zinc/29/37/32/541293732.db2.gz FVYMVLUCOFAWCJ-UHFFFAOYSA-N 1 0 366.469 2.271 20 30 FEEDRO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1ccc(-n2ncc(C#N)c2N)cc1 ZINC000066241105 541294567 /nfs/dbraw/zinc/29/45/67/541294567.db2.gz NSUOYUZCVWAULJ-INIZCTEOSA-N 1 0 354.458 2.032 20 30 FEEDRO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCC(NC(=O)c2ccoc2C)CC1 ZINC000066890499 541386452 /nfs/dbraw/zinc/38/64/52/541386452.db2.gz BNPDBCWIYBCJDW-HNNXBMFYSA-N 1 0 359.470 2.371 20 30 FEEDRO C[NH+]1CCN(C[C@@H](NC(=O)c2cccc(CC#N)c2)c2ccccc2)CC1 ZINC000068023972 541539548 /nfs/dbraw/zinc/53/95/48/541539548.db2.gz HBLMTGABYDESTH-OAQYLSRUSA-N 1 0 362.477 2.471 20 30 FEEDRO C[C@H](OC[C@H]1CCCO1)C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000068310018 541575196 /nfs/dbraw/zinc/57/51/96/541575196.db2.gz QXROYUIHPHGCTN-QFBILLFUSA-N 1 0 359.470 2.033 20 30 FEEDRO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)COc1ccccc1C#N ZINC000247392876 549328442 /nfs/dbraw/zinc/32/84/42/549328442.db2.gz ZUTJQBFXYDPZKL-VQIMIIECSA-N 1 0 364.449 2.359 20 30 FEEDRO N#CCCN(CCC#N)C(=O)C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000070975971 541756202 /nfs/dbraw/zinc/75/62/02/541756202.db2.gz ZEBYNLXFEZSEDR-SFHVURJKSA-N 1 0 370.453 2.029 20 30 FEEDRO N#Cc1c(Cl)cccc1S(=O)(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000072990884 541905565 /nfs/dbraw/zinc/90/55/65/541905565.db2.gz OUQFCGYLKACYOF-ZDUSSCGKSA-N 1 0 353.875 2.461 20 30 FEEDRO CCN(CC)C(=O)C1CC[NH+](CCC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000109469845 206057002 /nfs/dbraw/zinc/05/70/02/206057002.db2.gz IMOZGBOQKLXPQZ-UHFFFAOYSA-N 1 0 356.470 2.467 20 30 FEEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000073496598 541959332 /nfs/dbraw/zinc/95/93/32/541959332.db2.gz WJVYHMUUBHYYQH-HUUCEWRRSA-N 1 0 374.510 2.429 20 30 FEEDRO COCC[N@H+](C)CCCNC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000073721189 541990785 /nfs/dbraw/zinc/99/07/85/541990785.db2.gz GXAPKFCJZNUJJU-RBUKOAKNSA-N 1 0 358.486 2.436 20 30 FEEDRO C[C@@H](C(=O)NC1CCN(c2ccc(C#N)cn2)CC1)[NH+]1CCCCCC1 ZINC000074563526 542098518 /nfs/dbraw/zinc/09/85/18/542098518.db2.gz WXOXQMTULZMKJV-INIZCTEOSA-N 1 0 355.486 2.303 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cccc(Br)c2)CC1 ZINC000076512842 542288226 /nfs/dbraw/zinc/28/82/26/542288226.db2.gz IZYNQLHCSYJTSG-UHFFFAOYSA-N 1 0 366.259 2.154 20 30 FEEDRO CN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000076600841 542299410 /nfs/dbraw/zinc/29/94/10/542299410.db2.gz XLLNQXCWERXSLO-UHFFFAOYSA-N 1 0 364.449 2.259 20 30 FEEDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2OCC)C1 ZINC000076660052 542308104 /nfs/dbraw/zinc/30/81/04/542308104.db2.gz IEARKCSKVVDGSU-MRXNPFEDSA-N 1 0 372.469 2.086 20 30 FEEDRO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CC[NH+](CC2CC2)CC1 ZINC000077196177 542353307 /nfs/dbraw/zinc/35/33/07/542353307.db2.gz NHSRPKSSQNTGDI-CYBMUJFWSA-N 1 0 358.511 2.463 20 30 FEEDRO C=C(Cl)CNC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000077779613 542419752 /nfs/dbraw/zinc/41/97/52/542419752.db2.gz PRWSPFXUNJYSHP-UHFFFAOYSA-N 1 0 360.241 2.088 20 30 FEEDRO C#CCOc1ccc(F)cc1NC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000078620200 542472576 /nfs/dbraw/zinc/47/25/76/542472576.db2.gz GGEYQPFLGYOHFU-OAHLLOKOSA-N 1 0 361.417 2.024 20 30 FEEDRO CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCC(C(=O)N2CCCCCC2)CC1 ZINC000079900075 542548061 /nfs/dbraw/zinc/54/80/61/542548061.db2.gz LKNMTCPGUWVBMA-QGZVFWFLSA-N 1 0 362.518 2.109 20 30 FEEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000080446215 542590278 /nfs/dbraw/zinc/59/02/78/542590278.db2.gz JZJHPBDLKOTWSS-GOSISDBHSA-N 1 0 369.513 2.139 20 30 FEEDRO CC[NH+]1CCN(CC(=O)N[C@@H](C#N)c2ccc(Cl)c(Cl)c2)CC1 ZINC000081370498 542652176 /nfs/dbraw/zinc/65/21/76/542652176.db2.gz LAFBEVJGLYZTBG-HNNXBMFYSA-N 1 0 355.269 2.312 20 30 FEEDRO C[C@H]1C[NH+](CCC2CCN(C(=O)c3cc(C#N)cn3C)CC2)C[C@H](C)O1 ZINC000081808716 542678153 /nfs/dbraw/zinc/67/81/53/542678153.db2.gz DKYCGZRJWPYVQP-HOTGVXAUSA-N 1 0 358.486 2.248 20 30 FEEDRO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1CCC(c2nnc[nH]2)CC1 ZINC000083446216 542698280 /nfs/dbraw/zinc/69/82/80/542698280.db2.gz JVSBXCACYHYXKA-HVEKOLDVSA-N 1 0 358.490 2.303 20 30 FEEDRO Cc1ccc(NC(=O)CCNC(=[NH2+])N[C@@H]2CCOc3ccccc32)nc1 ZINC000083035008 542690259 /nfs/dbraw/zinc/69/02/59/542690259.db2.gz PCBKRRSUENFNOL-OAHLLOKOSA-N 1 0 353.426 2.147 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2cnc3ccc(F)cc3c2)c1C#N ZINC000089675155 542768496 /nfs/dbraw/zinc/76/84/96/542768496.db2.gz LQPAYXRWZGPDDA-UHFFFAOYSA-N 1 0 352.373 2.373 20 30 FEEDRO C#CCOc1ccc([C@H](C)[NH2+][C@@H]2CCCN(c3ccn(C)n3)C2=O)cc1 ZINC000090116549 542782706 /nfs/dbraw/zinc/78/27/06/542782706.db2.gz KCPJRBZZFBWWMM-MAUKXSAKSA-N 1 0 352.438 2.278 20 30 FEEDRO C#CCOc1ccc([C@H](C)[NH2+]C2CCN(S(=O)(=O)C3CC3)CC2)cc1 ZINC000090232079 542783935 /nfs/dbraw/zinc/78/39/35/542783935.db2.gz DGRUMZSUWPOLDY-HNNXBMFYSA-N 1 0 362.495 2.306 20 30 FEEDRO C#CCNC(=O)c1ccc(N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)nc1 ZINC000091476034 542809330 /nfs/dbraw/zinc/80/93/30/542809330.db2.gz XUGVSSQGCJSNKX-GOSISDBHSA-N 1 0 354.498 2.393 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1cnc2sc(C)cn2c1=O)C(C)C ZINC000092861372 542892026 /nfs/dbraw/zinc/89/20/26/542892026.db2.gz JBHMDKPLMNYFHQ-INIZCTEOSA-N 1 0 374.510 2.493 20 30 FEEDRO CCC[NH+](CCC)CCCNC(=O)N1CCN(c2ncccc2C#N)CC1 ZINC000102807951 543081543 /nfs/dbraw/zinc/08/15/43/543081543.db2.gz NBPXYPWWVGBBKZ-UHFFFAOYSA-N 1 0 372.517 2.297 20 30 FEEDRO C[N@H+](CCNC(=O)N1CCCN(c2ncccc2C#N)CC1)C1CCCC1 ZINC000105294964 543169490 /nfs/dbraw/zinc/16/94/90/543169490.db2.gz SGMKGRUYSCBDEE-UHFFFAOYSA-N 1 0 370.501 2.049 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@H]2CC(=O)N(c3cccc(OC)c3)C2)CC1 ZINC000106036888 543186055 /nfs/dbraw/zinc/18/60/55/543186055.db2.gz UETNZWDFHGTWJE-INIZCTEOSA-N 1 0 371.481 2.205 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)c2nn(-c3ccccc3)c(C)cc2=O)CC1 ZINC000106038365 543186171 /nfs/dbraw/zinc/18/61/71/543186171.db2.gz RFTIPWWVDILZPH-UHFFFAOYSA-N 1 0 366.465 2.311 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C[C@@H](NC(N)=O)c2cccs2)CC1 ZINC000106037651 543186177 /nfs/dbraw/zinc/18/61/77/543186177.db2.gz RDOFOTFWSWGLDJ-CQSZACIVSA-N 1 0 350.488 2.004 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)CCCNC(=O)c2ccc(OC)cc2)CC1 ZINC000106037720 543186200 /nfs/dbraw/zinc/18/62/00/543186200.db2.gz PDVFBZMQJAWPHY-UHFFFAOYSA-N 1 0 373.497 2.362 20 30 FEEDRO C[C@H](Oc1ccc(C#N)cc1)C(=O)NCC1([NH+]2CCCCC2)CCOCC1 ZINC000109981609 543345518 /nfs/dbraw/zinc/34/55/18/543345518.db2.gz RXKUDTPDTLFEDV-KRWDZBQOSA-N 1 0 371.481 2.477 20 30 FEEDRO CCC(CC)[C@@H](CNC(=O)Cc1ccc(OCC#N)cc1)[NH+]1CCOCC1 ZINC000110626488 543363374 /nfs/dbraw/zinc/36/33/74/543363374.db2.gz YSRRAPVSHYLBOU-HXUWFJFHSA-N 1 0 373.497 2.385 20 30 FEEDRO COCC[N@H+](C)CCNC(=O)c1cccc(COc2ccccc2C#N)c1 ZINC000114685416 543529774 /nfs/dbraw/zinc/52/97/74/543529774.db2.gz MQMKYLNLUNIWPH-UHFFFAOYSA-N 1 0 367.449 2.445 20 30 FEEDRO C=C(C)C[N@@H+](CC)CC(=O)N1CCN(Cc2ccc3c(c2)CCO3)CC1 ZINC000114712495 543531059 /nfs/dbraw/zinc/53/10/59/543531059.db2.gz FLMPJZGMCNZCDZ-UHFFFAOYSA-N 1 0 357.498 2.164 20 30 FEEDRO N#Cc1ccc([C@@H]([NH2+]CC2(N3CCSCC3)CCCC2)C(N)=O)cc1 ZINC000115596898 543576968 /nfs/dbraw/zinc/57/69/68/543576968.db2.gz FLMPCFJJZOQILM-QGZVFWFLSA-N 1 0 358.511 2.036 20 30 FEEDRO Cc1ccc(NC(=O)N(CCC#N)CCC[NH+](C)C)cc1C(=O)N(C)C ZINC000120679184 543682806 /nfs/dbraw/zinc/68/28/06/543682806.db2.gz WOJJVRUEGGMKAN-UHFFFAOYSA-N 1 0 359.474 2.396 20 30 FEEDRO C=CCOc1ccccc1C(=O)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000119893068 543673350 /nfs/dbraw/zinc/67/33/50/543673350.db2.gz UGMAFBUXWNUUFJ-LJQANCHMSA-N 1 0 366.461 2.400 20 30 FEEDRO C=CCOc1cccc(C[NH2+]CCNS(=O)(=O)c2cccs2)c1 ZINC000122276747 543705120 /nfs/dbraw/zinc/70/51/20/543705120.db2.gz FHUQMEZMVMJJSX-UHFFFAOYSA-N 1 0 352.481 2.381 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)OCC(=O)N(C)[C@@H]2CCCc3ccccc32)CC1 ZINC000122526154 543707453 /nfs/dbraw/zinc/70/74/53/543707453.db2.gz RKAZIOYUCSWQCO-HXUWFJFHSA-N 1 0 368.477 2.411 20 30 FEEDRO C[NH+](C)CCOc1ccc(NC(=O)C(=O)Nc2ccc(F)cc2C#N)cc1 ZINC000125341001 543875525 /nfs/dbraw/zinc/87/55/25/543875525.db2.gz PNEYNLCIMBBXDG-UHFFFAOYSA-N 1 0 370.384 2.215 20 30 FEEDRO CC(=O)NC[C@H]1CCC[N@@H+]([C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1 ZINC000126212597 543924607 /nfs/dbraw/zinc/92/46/07/543924607.db2.gz ZOEADNSSCYPLRA-URTYCYGZSA-N 1 0 362.518 2.154 20 30 FEEDRO N#CC1(c2ccccc2)CC([NH2+][C@@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000126972266 543966121 /nfs/dbraw/zinc/96/61/21/543966121.db2.gz FEQDPLZCWFCBAG-UMIMFARRSA-N 1 0 367.405 2.203 20 30 FEEDRO CC[C@@H](CC#N)NC(=O)C(=O)Nc1cccc(CN2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000128094029 544032202 /nfs/dbraw/zinc/03/22/02/544032202.db2.gz KMKCVVWICOVKLQ-UXLLHSPISA-N 1 0 372.469 2.043 20 30 FEEDRO CCOC(=O)N1CCC(NC(=[NH2+])NC[C@@H]2[C@@H]3Cc4ccccc4[C@H]23)CC1 ZINC000128846166 544076508 /nfs/dbraw/zinc/07/65/08/544076508.db2.gz OCPUDUKZZCIRHC-KSZLIROESA-N 1 0 356.470 2.098 20 30 FEEDRO CC[C@H](CC#N)NC(=O)C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000128353804 544047532 /nfs/dbraw/zinc/04/75/32/544047532.db2.gz IBHPBAVQAQGEOU-MRXNPFEDSA-N 1 0 372.469 2.298 20 30 FEEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCC1CC[NH+](C)CC1 ZINC000129111052 544091620 /nfs/dbraw/zinc/09/16/20/544091620.db2.gz NQIVONRYDVCDTB-CQSZACIVSA-N 1 0 374.510 2.477 20 30 FEEDRO COc1ccc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c(O)c1 ZINC000129877776 544130523 /nfs/dbraw/zinc/13/05/23/544130523.db2.gz CRTYDZUVYRAWFI-UHFFFAOYSA-N 1 0 353.422 2.476 20 30 FEEDRO CCOCCC1(CNC2=[NH+]C[C@@H]3CN(C(=O)OC(C)(C)C)CCN23)CC1 ZINC000130609252 544157867 /nfs/dbraw/zinc/15/78/67/544157867.db2.gz PXXNZOBSLWDCGH-OAHLLOKOSA-N 1 0 366.506 2.074 20 30 FEEDRO C[C@H](CNC(=O)N[C@@H](CCC#N)c1ccccc1)C[NH+]1CCN(C)CC1 ZINC000133827338 544284581 /nfs/dbraw/zinc/28/45/81/544284581.db2.gz YJOXCLCYYXAATE-MJGOQNOKSA-N 1 0 357.502 2.214 20 30 FEEDRO C[NH+](C)Cc1ccc(CNC(=O)C(=O)Nc2ccc(C#N)cc2F)cc1 ZINC000135701873 544359245 /nfs/dbraw/zinc/35/92/45/544359245.db2.gz QSUYCYXXCNJPOB-UHFFFAOYSA-N 1 0 354.385 2.014 20 30 FEEDRO CCOc1ccc(C#N)cc1NC(=O)C(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000142125236 544416132 /nfs/dbraw/zinc/41/61/32/544416132.db2.gz XUZBWDHNDNJSDS-UHFFFAOYSA-N 1 0 372.469 2.132 20 30 FEEDRO CN(C(=O)CCC(=O)N(CCC#N)c1ccccc1)[C@H]1CCC[N@H+](C)C1 ZINC000151133108 544509034 /nfs/dbraw/zinc/50/90/34/544509034.db2.gz GULNTBRHRJGPQL-SFHVURJKSA-N 1 0 356.470 2.266 20 30 FEEDRO C[C@@H]1C[C@H](NC(=O)C(=O)Nc2cccc(OCCCC#N)c2)C[N@@H+]1C1CC1 ZINC000151794379 544581569 /nfs/dbraw/zinc/58/15/69/544581569.db2.gz ALOYNEDUMLPWRP-ZBFHGGJFSA-N 1 0 370.453 2.049 20 30 FEEDRO C=CC[C@H](C)[C@H](C)[NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000152141633 544617751 /nfs/dbraw/zinc/61/77/51/544617751.db2.gz LANTURYNWFUUKQ-KBPBESRZSA-N 1 0 358.529 2.459 20 30 FEEDRO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000247523268 549350114 /nfs/dbraw/zinc/35/01/14/549350114.db2.gz NPQCOVYGDQVUSR-LEWJYISDSA-N 1 0 374.525 2.342 20 30 FEEDRO N#Cc1cccc(NC(=O)CN2CCC[C@@H](c3nncn3C3CC3)C2)c1 ZINC000152417753 544650226 /nfs/dbraw/zinc/65/02/26/544650226.db2.gz ODXFQEWLRRBULI-OAHLLOKOSA-N 1 0 350.426 2.303 20 30 FEEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCC1(O)CCOCC1 ZINC000152847763 544702000 /nfs/dbraw/zinc/70/20/00/544702000.db2.gz KFCVCDNJHOXSKY-UHFFFAOYSA-N 1 0 366.531 2.126 20 30 FEEDRO CCc1ccc(NC(=O)[C@H](C)[N@H+](C)CCCc2[nH]nc(N)c2C#N)cc1 ZINC000153341436 544763274 /nfs/dbraw/zinc/76/32/74/544763274.db2.gz BGWZAXUIKGGWCO-ZDUSSCGKSA-N 1 0 354.458 2.318 20 30 FEEDRO C[NH+]=C(NCc1cccnc1-n1ccnc1)N1CCS[C@H](C(C)C)C1 ZINC000153759243 544819370 /nfs/dbraw/zinc/81/93/70/544819370.db2.gz CICJYTJACVBNRJ-INIZCTEOSA-N 1 0 358.515 2.416 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(-c3ncco3)cc2)CC1 ZINC000153777390 544821801 /nfs/dbraw/zinc/82/18/01/544821801.db2.gz HAVCYVAWWVJJND-UHFFFAOYSA-N 1 0 368.437 2.437 20 30 FEEDRO C[C@@H](CNC(=O)C(=O)Nc1cc(C#N)ccc1Cl)[N@@H+]1CCC[C@H](C)C1 ZINC000154511978 544916065 /nfs/dbraw/zinc/91/60/65/544916065.db2.gz UCHXRLDOWJZISS-STQMWFEESA-N 1 0 362.861 2.387 20 30 FEEDRO CCC[N@@H+]1CCCN(C(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000155054774 544982103 /nfs/dbraw/zinc/98/21/03/544982103.db2.gz ZFILWMHLZVTBPO-UHFFFAOYSA-N 1 0 356.470 2.371 20 30 FEEDRO C[NH+]1CCN(Cc2ccc(CNc3nccc(C#N)c3Cl)cc2)CC1 ZINC000553279779 674249891 /nfs/dbraw/zinc/24/98/91/674249891.db2.gz GVRGMNFZXSCVCM-UHFFFAOYSA-N 1 0 355.873 2.966 20 30 FEEDRO C[C@H]1C[NH+](Cc2ccc(CNC(=O)c3c[nH]c(C#N)c3)cc2)C[C@H](C)O1 ZINC000181204869 327720476 /nfs/dbraw/zinc/72/04/76/327720476.db2.gz AHADTHMYXIUKJL-GJZGRUSLSA-N 1 0 352.438 2.426 20 30 FEEDRO N#Cc1ccc(OC2CN(C(=O)NC3CC[NH+](CC4CC4)CC3)C2)cc1 ZINC000184461757 327868501 /nfs/dbraw/zinc/86/85/01/327868501.db2.gz MPURZLWONVJWMS-UHFFFAOYSA-N 1 0 354.454 2.205 20 30 FEEDRO C[C@H](CNC(=O)Nc1cnn(-c2ncccc2C#N)c1)[NH+]1CCC(C)CC1 ZINC000184588989 327874430 /nfs/dbraw/zinc/87/44/30/327874430.db2.gz BDFFCVLXILBYEY-OAHLLOKOSA-N 1 0 367.457 2.381 20 30 FEEDRO C[NH+]1CCN(Cc2ccc(CNC(=O)c3cccc(F)c3C#N)cc2)CC1 ZINC000188274462 328077309 /nfs/dbraw/zinc/07/73/09/328077309.db2.gz HIYWCWULZOIMBW-UHFFFAOYSA-N 1 0 366.440 2.375 20 30 FEEDRO C[C@H]1CN(C(=O)C(C)(C)Oc2ccc(C#N)cc2)CC[N@@H+]1CC(C)(C)O ZINC000188638504 328100619 /nfs/dbraw/zinc/10/06/19/328100619.db2.gz OHKRTVWSLWXCMZ-HNNXBMFYSA-N 1 0 359.470 2.019 20 30 FEEDRO CCO[C@H]1C[C@](CO)([NH2+]CC(=O)Nc2ccc(C#N)c(Cl)c2)C1(C)C ZINC000189958007 328178798 /nfs/dbraw/zinc/17/87/98/328178798.db2.gz RNRFMXDAEQVPAQ-MAUKXSAKSA-N 1 0 365.861 2.306 20 30 FEEDRO Cn1cc(C[NH2+]C[C@H](O)COc2cccc(C(F)(F)F)c2)cc1C#N ZINC000190869815 328237407 /nfs/dbraw/zinc/23/74/07/328237407.db2.gz JSTMUWPVQURIQG-HNNXBMFYSA-N 1 0 353.344 2.445 20 30 FEEDRO Cn1cc(CN2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cc1C#N ZINC000191240305 328255696 /nfs/dbraw/zinc/25/56/96/328255696.db2.gz BWKYHKWNYMQUQU-UHFFFAOYSA-N 1 0 362.393 2.339 20 30 FEEDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000192568209 328326060 /nfs/dbraw/zinc/32/60/60/328326060.db2.gz ZESGAWJNUDJMAP-AWEZNQCLSA-N 1 0 359.474 2.044 20 30 FEEDRO Cc1nc(C#N)c(N2CCC(C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)CC2)o1 ZINC000193345313 328370326 /nfs/dbraw/zinc/37/03/26/328370326.db2.gz PYYVPDOJGHNJTA-CYBMUJFWSA-N 1 0 361.490 2.164 20 30 FEEDRO CS(=O)(=O)NCCC[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000051187395 324702311 /nfs/dbraw/zinc/70/23/11/324702311.db2.gz SQGAATUTIBQTMM-UHFFFAOYSA-N 1 0 373.478 2.166 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)C(C)(C)Oc2ccc(C#N)cc2)c1C#N ZINC000089675784 325326592 /nfs/dbraw/zinc/32/65/92/325326592.db2.gz UGDSQTNGMZKFNA-UHFFFAOYSA-N 1 0 366.425 2.101 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@H]2C[C@H]2c2c(F)cccc2F)c1C#N ZINC000089675759 325326666 /nfs/dbraw/zinc/32/66/66/325326666.db2.gz ONUNMKFWYIYRSE-MNOVXSKESA-N 1 0 359.380 2.454 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H]2C[C@@H]2c2c(F)cccc2F)c1C#N ZINC000089675755 325326870 /nfs/dbraw/zinc/32/68/70/325326870.db2.gz ONUNMKFWYIYRSE-WDEREUQCSA-N 1 0 359.380 2.454 20 30 FEEDRO CC(C)n1cc(C#N)c(NC(=O)C(=O)NCCC[N@H+](C)C2CCCCC2)n1 ZINC000091194028 325378292 /nfs/dbraw/zinc/37/82/92/325378292.db2.gz QLPUYCYTDRKPLC-UHFFFAOYSA-N 1 0 374.489 2.045 20 30 FEEDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)N1CCN(c2ccccc2C#N)CC1 ZINC000101788657 325481037 /nfs/dbraw/zinc/48/10/37/325481037.db2.gz REBQQIDBEJGEMY-KRWDZBQOSA-N 1 0 355.486 2.264 20 30 FEEDRO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccc(F)c(C#N)c1)c1cccs1 ZINC000102962193 325502648 /nfs/dbraw/zinc/50/26/48/325502648.db2.gz IGROASXZBVPDKA-AWEZNQCLSA-N 1 0 360.414 2.116 20 30 FEEDRO CC(C)CN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000103156764 325508619 /nfs/dbraw/zinc/50/86/19/325508619.db2.gz CCAKCJJVATZHRZ-UHFFFAOYSA-N 1 0 353.463 2.438 20 30 FEEDRO C[NH+](C)CCC1CCN(C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)CC1 ZINC000112925193 325814143 /nfs/dbraw/zinc/81/41/43/325814143.db2.gz YQNMTRHKRHOSBI-UHFFFAOYSA-N 1 0 366.469 2.130 20 30 FEEDRO N#Cc1ccc([C@H]([NH2+][C@H]2CCCN(c3cccc(F)c3)C2)C(N)=O)cc1 ZINC000116394014 326010961 /nfs/dbraw/zinc/01/09/61/326010961.db2.gz YYYQLLCJFRGKJP-HKUYNNGSSA-N 1 0 352.413 2.482 20 30 FEEDRO N#Cc1cccc(OCC[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000118866366 326110145 /nfs/dbraw/zinc/11/01/45/326110145.db2.gz GHCPNANDIWYMSY-OAHLLOKOSA-N 1 0 353.382 2.427 20 30 FEEDRO N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H](Cn3ccnn3)C2)cc1Cl ZINC000119202204 326136810 /nfs/dbraw/zinc/13/68/10/326136810.db2.gz OCCBIIDRYHXWBW-ZDUSSCGKSA-N 1 0 358.833 2.154 20 30 FEEDRO C[NH+](C)CCOc1ccccc1CNC(=O)NCc1cccc(C#N)c1 ZINC000120421845 326257226 /nfs/dbraw/zinc/25/72/26/326257226.db2.gz VNVMYOQZGDOTFM-UHFFFAOYSA-N 1 0 352.438 2.498 20 30 FEEDRO CC(C)OCC[NH+]1CCC(NC(=O)c2c(F)cc(C#N)cc2F)CC1 ZINC000125960750 326480610 /nfs/dbraw/zinc/48/06/10/326480610.db2.gz NKJVZNZXDFBUNN-UHFFFAOYSA-N 1 0 351.397 2.456 20 30 FEEDRO C[NH+](C)CCN(Cc1cccs1)C(=O)C(=O)Nc1ccc(C#N)cc1F ZINC000136606709 326653746 /nfs/dbraw/zinc/65/37/46/326653746.db2.gz NXQOCCSPIRZNGR-UHFFFAOYSA-N 1 0 374.441 2.288 20 30 FEEDRO CC[NH+]1CCC(NS(=O)(=O)c2cc(Br)cc(C#N)c2)CC1 ZINC000153970673 326747652 /nfs/dbraw/zinc/74/76/52/326747652.db2.gz LYVMEIIDCSNSNY-UHFFFAOYSA-N 1 0 372.288 2.083 20 30 FEEDRO CC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000162123976 327017614 /nfs/dbraw/zinc/01/76/14/327017614.db2.gz SCBKOXRCKUBSIA-LBPRGKRZSA-N 1 0 361.389 2.340 20 30 FEEDRO C[NH+](C)CC1CCC(NS(=O)(=O)Cc2cc(C#N)ccc2F)CC1 ZINC000165313462 327077523 /nfs/dbraw/zinc/07/75/23/327077523.db2.gz IUZVTLNUVBAGKD-UHFFFAOYSA-N 1 0 353.463 2.237 20 30 FEEDRO C[C@H](CNC(=O)Nc1cc(C#N)cn1C(C)(C)C)C[NH+]1CCN(C)CC1 ZINC000171149492 327120978 /nfs/dbraw/zinc/12/09/78/327120978.db2.gz ABDUNMIVPQEYPJ-OAHLLOKOSA-N 1 0 360.506 2.120 20 30 FEEDRO C[NH+](C)CCN1CCC(NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)CC1 ZINC000171301860 327130554 /nfs/dbraw/zinc/13/05/54/327130554.db2.gz ZRYOINWYTGDATQ-UHFFFAOYSA-N 1 0 369.513 2.258 20 30 FEEDRO C[N@@H+]1CCC[C@H](CNC(=O)N2CCCN(c3ccccc3C#N)CC2)C1 ZINC000171768084 327160187 /nfs/dbraw/zinc/16/01/87/327160187.db2.gz HDHQCJXPGGEOED-QGZVFWFLSA-N 1 0 355.486 2.122 20 30 FEEDRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)c1ccc(-n2ncc(C#N)c2N)cc1 ZINC000172841774 327221908 /nfs/dbraw/zinc/22/19/08/327221908.db2.gz PSTIUIRZVNEHGR-QGZVFWFLSA-N 1 0 366.469 2.273 20 30 FEEDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)c1ccc(-n2ncc(C#N)c2N)cc1 ZINC000172841780 327221942 /nfs/dbraw/zinc/22/19/42/327221942.db2.gz PSTIUIRZVNEHGR-KRWDZBQOSA-N 1 0 366.469 2.273 20 30 FEEDRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)c1ccc(C#N)nc1 ZINC000174039570 327303158 /nfs/dbraw/zinc/30/31/58/327303158.db2.gz BTNXZVQCORBSFC-QGZVFWFLSA-N 1 0 370.478 2.096 20 30 FEEDRO N#Cc1ccc2ncc(C[NH2+]CCCN3C(=O)COc4ccccc43)n2c1 ZINC000174521052 327332245 /nfs/dbraw/zinc/33/22/45/327332245.db2.gz HZCCZXBSBQSFLK-UHFFFAOYSA-N 1 0 361.405 2.111 20 30 FEEDRO Cc1cccc(NC(=O)C(=O)NCCN2CCc3sccc3C2)c1C#N ZINC000174780765 327350463 /nfs/dbraw/zinc/35/04/63/327350463.db2.gz STCKLQBSGUIJFI-UHFFFAOYSA-N 1 0 368.462 2.041 20 30 FEEDRO Cc1c(C#N)cccc1NC(=O)C(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000178418445 327583816 /nfs/dbraw/zinc/58/38/16/327583816.db2.gz VWQMEIDVIKFBJD-UHFFFAOYSA-N 1 0 356.470 2.434 20 30 FEEDRO Cc1c(C#N)cccc1NC(=O)C(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC000178521046 327590268 /nfs/dbraw/zinc/59/02/68/327590268.db2.gz GYEDUTAQTYOCSB-UHFFFAOYSA-N 1 0 370.478 2.457 20 30 FEEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)NCCOCC3CC3)CC2)cc1 ZINC000264500804 329029954 /nfs/dbraw/zinc/02/99/54/329029954.db2.gz PUTYFZVJTDWFDA-UHFFFAOYSA-N 1 0 356.470 2.202 20 30 FEEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000264599686 329039389 /nfs/dbraw/zinc/03/93/89/329039389.db2.gz XMIUNJYQWDYODU-MRXNPFEDSA-N 1 0 356.470 2.295 20 30 FEEDRO CCN(CC)C(=O)C[N@@H+]1CCCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000266079625 329188161 /nfs/dbraw/zinc/18/81/61/329188161.db2.gz KLUVYUGQDWHDQK-UHFFFAOYSA-N 1 0 365.481 2.487 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)CCN2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000267058323 329287398 /nfs/dbraw/zinc/28/73/98/329287398.db2.gz IEHBSIKATJYDHY-UHFFFAOYSA-N 1 0 361.511 2.282 20 30 FEEDRO C[C@@H]1C[C@H](NC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)C[N@@H+]1C1CC1 ZINC000267953710 329371381 /nfs/dbraw/zinc/37/13/81/329371381.db2.gz SBBRBHBDEQYZIP-APWZRJJASA-N 1 0 367.497 2.011 20 30 FEEDRO COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000268171935 329393335 /nfs/dbraw/zinc/39/33/35/329393335.db2.gz QVHVISKJYGQHCX-BEFAXECRSA-N 1 0 356.470 2.199 20 30 FEEDRO COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000268171942 329393339 /nfs/dbraw/zinc/39/33/39/329393339.db2.gz QVHVISKJYGQHCX-KXBFYZLASA-N 1 0 356.470 2.199 20 30 FEEDRO CCc1nnc(Sc2nnc([C@H]3CCC[NH2+]C3)n2C)c(C#N)c1CC ZINC000268192769 329395389 /nfs/dbraw/zinc/39/53/89/329395389.db2.gz MZORWKZRVYUVHN-NSHDSACASA-N 1 0 357.487 2.220 20 30 FEEDRO CCc1nnc(NCCC[NH+]2CCC(C(=O)OC)CC2)c(C#N)c1CC ZINC000268198070 329395802 /nfs/dbraw/zinc/39/58/02/329395802.db2.gz YGWVTBSNXWHQMG-UHFFFAOYSA-N 1 0 359.474 2.160 20 30 FEEDRO C[NH+](C)C[C@@H]1CCCN1S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000269366600 329511955 /nfs/dbraw/zinc/51/19/55/329511955.db2.gz RCYGAEYTNYFIKQ-ZDUSSCGKSA-N 1 0 372.288 2.035 20 30 FEEDRO N#Cc1cccc(OCCC[N@H+]2CC[C@@H](C(=O)NCC(F)(F)F)C2)c1 ZINC000275087754 330009171 /nfs/dbraw/zinc/00/91/71/330009171.db2.gz GYKZYYRROQSEOS-CQSZACIVSA-N 1 0 355.360 2.328 20 30 FEEDRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)Nc1ccc(C#N)cc1Cl ZINC000275418909 330046712 /nfs/dbraw/zinc/04/67/12/330046712.db2.gz MDARWMFSBTTWIG-CQSZACIVSA-N 1 0 362.861 2.483 20 30 FEEDRO N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)NCCCC[NH+]1CCOCC1 ZINC000416694161 330261234 /nfs/dbraw/zinc/26/12/34/330261234.db2.gz VATOXKDWNFEIFB-LJQANCHMSA-N 1 0 356.470 2.347 20 30 FEEDRO COCCO[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC000555104470 674347730 /nfs/dbraw/zinc/34/77/30/674347730.db2.gz ZBATUAMVHOUANW-JKSUJKDBSA-N 1 0 358.360 2.487 20 30 FEEDRO CC[N@@H+]1CCC[C@@H](CN(C)C(=O)Nc2cnn(C)c2)[C@@H]1c1cnn(C)c1 ZINC000328628769 521613756 /nfs/dbraw/zinc/61/37/56/521613756.db2.gz OBXASFPZUSREBZ-WMLDXEAASA-N 1 0 359.478 2.104 20 30 FEEDRO C=CCc1ccccc1OC[C@H](O)C[NH+]1CCC(Cn2ccnn2)CC1 ZINC000155756022 545566404 /nfs/dbraw/zinc/56/64/04/545566404.db2.gz ZHJRGVQCMHKHDP-LJQANCHMSA-N 1 0 356.470 2.159 20 30 FEEDRO COC(=O)Cc1csc(NC(=O)C[NH2+][C@@H](C)c2ccc(C#N)cc2)n1 ZINC000157647269 545764099 /nfs/dbraw/zinc/76/40/99/545764099.db2.gz YEYUKFPCTYWLTG-NSHDSACASA-N 1 0 358.423 2.020 20 30 FEEDRO C#Cc1cccc(NC(=O)CNC(=[NH+]C)N2CCC(OC(C)(C)C)CC2)c1 ZINC000159530120 545960579 /nfs/dbraw/zinc/96/05/79/545960579.db2.gz PCJGNSPOWRKZNE-UHFFFAOYSA-N 1 0 370.497 2.461 20 30 FEEDRO CC1CC[NH+](C[C@@H](O)CNC(=O)N[C@H](CCC#N)c2ccccc2)CC1 ZINC000160676407 546063057 /nfs/dbraw/zinc/06/30/57/546063057.db2.gz HZTUFZJQPYFIEI-RBUKOAKNSA-N 1 0 358.486 2.423 20 30 FEEDRO Cc1cccc(N2CC[NH+](CCC(=O)NC3(C#N)CCSCC3)CC2)c1 ZINC000162559017 546139756 /nfs/dbraw/zinc/13/97/56/546139756.db2.gz ZKKYOKPYCHWDMU-UHFFFAOYSA-N 1 0 372.538 2.413 20 30 FEEDRO COc1cccc([C@@H](CNS(=O)(=O)CC2(C#N)CC2)[NH+]2CCCC2)c1 ZINC000164381360 546149877 /nfs/dbraw/zinc/14/98/77/546149877.db2.gz LATJTCQBZTUYHM-QGZVFWFLSA-N 1 0 363.483 2.055 20 30 FEEDRO CC[NH+](CC)[C@H](CNS(=O)(=O)CC1(C#N)CC1)c1cccc(OC)c1 ZINC000164457227 546150929 /nfs/dbraw/zinc/15/09/29/546150929.db2.gz LHRYGBSYIDXOSP-QGZVFWFLSA-N 1 0 365.499 2.301 20 30 FEEDRO CC(C)N(C)S(=O)(=O)c1ccc(CNC(=[NH2+])Nc2ccccn2)cc1 ZINC000170910327 546181618 /nfs/dbraw/zinc/18/16/18/546181618.db2.gz AOIYUPGCWYVJTA-UHFFFAOYSA-N 1 0 361.471 2.037 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)CSCC(=O)Nc2ccc(F)cc2)CC1 ZINC000171566191 546215250 /nfs/dbraw/zinc/21/52/50/546215250.db2.gz NZWWICRDRLLGNX-UHFFFAOYSA-N 1 0 365.474 2.264 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N2CCN([C@@H](C)c3cccc(OC)c3)CC2)CC1 ZINC000171586115 546215340 /nfs/dbraw/zinc/21/53/40/546215340.db2.gz CUJMLBJACFCEJP-SFHVURJKSA-N 1 0 369.509 2.246 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)NCc2ccccc2CN2CCCC2=O)CC1 ZINC000171710525 546219445 /nfs/dbraw/zinc/21/94/45/546219445.db2.gz RCFDCWTXLKOLGT-UHFFFAOYSA-N 1 0 370.497 2.259 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)CC1 ZINC000171717517 546220590 /nfs/dbraw/zinc/22/05/90/546220590.db2.gz OGMRCJAVIHVKRD-CQSZACIVSA-N 1 0 361.873 2.460 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)[C@@H]2CCCN(C(=O)c3ccccc3)C2)CC1 ZINC000171716606 546220782 /nfs/dbraw/zinc/22/07/82/546220782.db2.gz FDHXRNMJUFNBQO-GOSISDBHSA-N 1 0 355.482 2.305 20 30 FEEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)Cc1cn2ccsc2n1 ZINC000171726539 546221683 /nfs/dbraw/zinc/22/16/83/546221683.db2.gz NGAHPZSYYVWLDG-UHFFFAOYSA-N 1 0 367.478 2.400 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)CCC(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000171725579 546221924 /nfs/dbraw/zinc/22/19/24/546221924.db2.gz BTWNAUIYPNAKGJ-UHFFFAOYSA-N 1 0 358.438 2.187 20 30 FEEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N2CCC[C@H](OCCO)C2)c1 ZINC000172295530 546244579 /nfs/dbraw/zinc/24/45/79/546244579.db2.gz DJFKDBJKFQKCDE-QUCCMNQESA-N 1 0 373.497 2.412 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(N3CCCC3)cc2C)CC1 ZINC000173272826 546277169 /nfs/dbraw/zinc/27/71/69/546277169.db2.gz GYZNXBNKFDGYCM-UHFFFAOYSA-N 1 0 370.497 2.300 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000173634937 546284682 /nfs/dbraw/zinc/28/46/82/546284682.db2.gz SLKHMGPZJNSJMO-UHFFFAOYSA-N 1 0 371.437 2.310 20 30 FEEDRO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)C1 ZINC000173728564 546285452 /nfs/dbraw/zinc/28/54/52/546285452.db2.gz LIXDBZNHXIHDOM-OAHLLOKOSA-N 1 0 356.470 2.226 20 30 FEEDRO N#CCSCCC[N@H+]1CCC[C@H](NS(=O)(=O)c2cccc(F)c2)C1 ZINC000174137378 546292816 /nfs/dbraw/zinc/29/28/16/546292816.db2.gz RYEDZRDHHPPLDO-HNNXBMFYSA-N 1 0 371.503 2.215 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)c2ccc3c(c2)NC(=O)CCN3C)CC1 ZINC000174667169 546301637 /nfs/dbraw/zinc/30/16/37/546301637.db2.gz STRIXUJAWIZDMG-UHFFFAOYSA-N 1 0 356.470 2.235 20 30 FEEDRO C=CCOc1ccccc1CNC(=O)NC[C@H](C)C[NH+]1CCN(CC)CC1 ZINC000174842509 546304419 /nfs/dbraw/zinc/30/44/19/546304419.db2.gz LTJSFUYFPPHKMQ-SFHVURJKSA-N 1 0 374.529 2.324 20 30 FEEDRO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@@H](CC(N)=O)C2)c1C ZINC000175201540 546306806 /nfs/dbraw/zinc/30/68/06/546306806.db2.gz QIPOFTNVUBNZRN-KRWDZBQOSA-N 1 0 356.470 2.138 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1ccn(Cc2ccncc2)n1 ZINC000175740630 546341848 /nfs/dbraw/zinc/34/18/48/546341848.db2.gz HKYYJYCVTJQQMK-UHFFFAOYSA-N 1 0 355.446 2.026 20 30 FEEDRO CCN1CC[NH+](C[C@@H](C)CNC(=O)c2cccc(SCC#N)c2)CC1 ZINC000176024193 546391865 /nfs/dbraw/zinc/39/18/65/546391865.db2.gz ANKIYDUAXHIQRQ-INIZCTEOSA-N 1 0 360.527 2.306 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCN([C@H](C)C(F)(F)F)CC2)CC1 ZINC000176154223 546414407 /nfs/dbraw/zinc/41/44/07/546414407.db2.gz KNFLESWVSFDALB-CQSZACIVSA-N 1 0 362.440 2.305 20 30 FEEDRO CCN(C[C@H](C)C#N)C(=O)CN(C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000177257401 546580868 /nfs/dbraw/zinc/58/08/68/546580868.db2.gz JFSYGMOBIDDMTE-GOSISDBHSA-N 1 0 371.529 2.028 20 30 FEEDRO C=CCC[C@H](O)C[NH+]1CCN(Cc2nc(-c3ccc(C)cc3)no2)CC1 ZINC000178042777 546728623 /nfs/dbraw/zinc/72/86/23/546728623.db2.gz OGBVAEQQQXBOPO-SFHVURJKSA-N 1 0 356.470 2.490 20 30 FEEDRO C=CCN1C(=O)c2ccc(C(=O)NCC(C)(C)C[NH+]3CCCC3)cc2C1=O ZINC000481616251 561237487 /nfs/dbraw/zinc/23/74/87/561237487.db2.gz PFJOZESXEVQUDV-UHFFFAOYSA-N 1 0 369.465 2.320 20 30 FEEDRO C[N@@H+]1CC[C@H](NS(=O)(=O)Cc2cccc(C#N)c2)[C@@H]1c1ccccc1 ZINC000178948864 546878687 /nfs/dbraw/zinc/87/86/87/546878687.db2.gz MUFCOCNUSAFLBR-OALUTQOASA-N 1 0 355.463 2.423 20 30 FEEDRO Cc1cc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc(=O)[nH]1 ZINC000179748792 547007621 /nfs/dbraw/zinc/00/76/21/547007621.db2.gz FKOPDAUHGPWBRX-UHFFFAOYSA-N 1 0 350.422 2.315 20 30 FEEDRO C=CCC[C@@H]([NH2+]CC(=O)N(CC)[C@H]1CCS(=O)(=O)C1)c1ccccc1 ZINC000180047515 547042887 /nfs/dbraw/zinc/04/28/87/547042887.db2.gz WYNIVMIAHHNMDD-ZWKOTPCHSA-N 1 0 364.511 2.319 20 30 FEEDRO C[C@@H](C#N)Oc1ccccc1NC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000180088180 547049748 /nfs/dbraw/zinc/04/97/48/547049748.db2.gz NEPPJRKETORYHO-HOTGVXAUSA-N 1 0 358.442 2.163 20 30 FEEDRO COC(=O)C[C@@H]1CSCC[N@@H+]1Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000180191340 547065730 /nfs/dbraw/zinc/06/57/30/547065730.db2.gz VBBXYJUMPIJYAG-QGZVFWFLSA-N 1 0 370.478 2.439 20 30 FEEDRO COc1ccccc1CNC(=[NH2+])NCCCCNC(=O)OC(C)(C)C ZINC000180275117 547077778 /nfs/dbraw/zinc/07/77/78/547077778.db2.gz FCAHSJIBVWOHOQ-UHFFFAOYSA-N 1 0 350.463 2.404 20 30 FEEDRO C=CCNC(=O)CNC(=O)NCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000180351803 547089452 /nfs/dbraw/zinc/08/94/52/547089452.db2.gz KGCCNMZYXXFGEN-CALCHBBNSA-N 1 0 372.513 2.266 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)NC[C@H]2COC3(CCCCC3)O2)CC1 ZINC000180717141 547165214 /nfs/dbraw/zinc/16/52/14/547165214.db2.gz LHJCJOMHJXCCSL-KRWDZBQOSA-N 1 0 351.491 2.402 20 30 FEEDRO Cc1nccn1-c1ccc([C@@H](C)[NH2+]CCNC(=O)C2N=CC=CC2=O)cc1 ZINC000180872783 547198430 /nfs/dbraw/zinc/19/84/30/547198430.db2.gz BAZMQDVFBLOPPZ-BVGIJJTOSA-N 1 0 365.437 2.358 20 30 FEEDRO Cc1cccc(NC(=O)C[C@H](C)[NH2+]CCNC(=O)C2N=CC=CC2=O)c1C ZINC000180871464 547199229 /nfs/dbraw/zinc/19/92/29/547199229.db2.gz KOVSIHLBHCHMRR-SXZOAGKDSA-N 1 0 370.453 2.137 20 30 FEEDRO Cc1ccc(C#N)cc1NC(=O)C(=O)N[C@H](C)C[N@H+](C)Cc1ccccc1 ZINC000180899380 547205634 /nfs/dbraw/zinc/20/56/34/547205634.db2.gz KUZRTGMGMOJGRY-MRXNPFEDSA-N 1 0 364.449 2.442 20 30 FEEDRO C=C(C)C[N@H+](C)CCC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000181245493 547278726 /nfs/dbraw/zinc/27/87/26/547278726.db2.gz VZUIDYBYPRFAEX-UHFFFAOYSA-N 1 0 365.499 2.308 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)CC1 ZINC000181566652 547338129 /nfs/dbraw/zinc/33/81/29/547338129.db2.gz SQZZXXJOIAOUDW-HNNXBMFYSA-N 1 0 358.490 2.222 20 30 FEEDRO C=CCC[C@@H](O)C[NH+]1CCN([C@@H](C(=O)OC)c2cccc(Cl)c2)CC1 ZINC000483507094 561278674 /nfs/dbraw/zinc/27/86/74/561278674.db2.gz SPYFWTGPKDFTSM-QZTJIDSGSA-N 1 0 366.889 2.499 20 30 FEEDRO C=CCC[C@H](O)C[NH+]1CCN([C@H](C(=O)OC)c2cccc(Cl)c2)CC1 ZINC000483507095 561278730 /nfs/dbraw/zinc/27/87/30/561278730.db2.gz SPYFWTGPKDFTSM-ROUUACIJSA-N 1 0 366.889 2.499 20 30 FEEDRO C=CCNC(=O)c1ccc(NC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)cc1 ZINC000182590236 547518365 /nfs/dbraw/zinc/51/83/65/547518365.db2.gz VMNUFDGWQXCDRN-GOSISDBHSA-N 1 0 357.454 2.184 20 30 FEEDRO C=CC[C@H](CO)NC(=O)NCC1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000183253049 547627843 /nfs/dbraw/zinc/62/78/43/547627843.db2.gz DSQVRLSKVMTQLQ-GOSISDBHSA-N 1 0 361.486 2.143 20 30 FEEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000183684863 547701243 /nfs/dbraw/zinc/70/12/43/547701243.db2.gz MRBHKTNZVWZWDS-UONOGXRCSA-N 1 0 355.442 2.232 20 30 FEEDRO CCO[C@@H]1COCC[C@@H]1[NH2+][C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000484653597 561302441 /nfs/dbraw/zinc/30/24/41/561302441.db2.gz QHFDNLMINSRNKQ-KNXALSJPSA-N 1 0 351.834 2.322 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@H]1CCOC[C@@H]1OCC ZINC000484637707 561301826 /nfs/dbraw/zinc/30/18/26/561301826.db2.gz HLCMEAYGDVXETF-XIRDDKMYSA-N 1 0 352.500 2.435 20 30 FEEDRO COc1ccc([C@H](CNC(=O)NCC2(CC#N)CC2)[NH+](C)C)cc1OC ZINC000485375939 561317651 /nfs/dbraw/zinc/31/76/51/561317651.db2.gz JGUCKJCFNKOQBM-HNNXBMFYSA-N 1 0 360.458 2.300 20 30 FEEDRO C=CCSc1ccccc1C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000485463274 561319730 /nfs/dbraw/zinc/31/97/30/561319730.db2.gz IDEDSXONCYWTEW-UHFFFAOYSA-N 1 0 373.522 2.345 20 30 FEEDRO COc1cc(C#N)ccc1S(=O)(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000185610568 548009153 /nfs/dbraw/zinc/00/91/53/548009153.db2.gz UVWKMQVIOIWQGA-MRXNPFEDSA-N 1 0 363.483 2.206 20 30 FEEDRO C=CCOc1ccccc1CNC(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1 ZINC000185700735 548022261 /nfs/dbraw/zinc/02/22/61/548022261.db2.gz PXIXWVBPNHPYCJ-KRWDZBQOSA-N 1 0 360.502 2.077 20 30 FEEDRO C[C@@H](C[NH+]1CCCCCC1)NC(=O)N1CCN(c2ncccc2C#N)CC1 ZINC000186131446 548089583 /nfs/dbraw/zinc/08/95/83/548089583.db2.gz WKNIUAADVKSKGB-KRWDZBQOSA-N 1 0 370.501 2.049 20 30 FEEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000485781954 561327873 /nfs/dbraw/zinc/32/78/73/561327873.db2.gz ZTIXMIGVJDZVBB-CQSZACIVSA-N 1 0 355.398 2.223 20 30 FEEDRO N#C[C@H](c1cccs1)N1CCN(C(=O)C[N@@H+]2CCCC3(CC3)C2)CC1 ZINC000186972667 548231549 /nfs/dbraw/zinc/23/15/49/548231549.db2.gz GQQGDDJNYQUOPC-MRXNPFEDSA-N 1 0 358.511 2.333 20 30 FEEDRO CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)Nc1cccc(OCCCC#N)c1 ZINC000188221094 548274543 /nfs/dbraw/zinc/27/45/43/548274543.db2.gz SSCSSUBYDIZZNL-UHFFFAOYSA-N 1 0 372.469 2.250 20 30 FEEDRO C[C@@H]([NH2+]Cc1ccc(S(=O)(=O)CCO)cc1)c1ccc(OCC#N)cc1 ZINC000189165459 548298025 /nfs/dbraw/zinc/29/80/25/548298025.db2.gz YCXZKKLAVHHUAH-OAHLLOKOSA-N 1 0 374.462 2.206 20 30 FEEDRO CC[C@@]1(CO)CCC[N@@H+]1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000189674758 548307892 /nfs/dbraw/zinc/30/78/92/548307892.db2.gz GZMATNNDDLOQIE-SFHVURJKSA-N 1 0 368.399 2.410 20 30 FEEDRO C=CCc1ccccc1OC[C@H](O)C[N@@H+](C)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC000192450079 548363599 /nfs/dbraw/zinc/36/35/99/548363599.db2.gz MRTBEEWMXGYPRO-WSTZPKSXSA-N 1 0 362.514 2.196 20 30 FEEDRO C=CCNC(=O)c1ccc(NC(=O)[C@@H]2COCCN2C2CCCC2)cc1 ZINC000192808952 548373950 /nfs/dbraw/zinc/37/39/50/548373950.db2.gz TVSUNNZFXCTHNB-SFHVURJKSA-N 1 0 357.454 2.184 20 30 FEEDRO C[C@H](C#N)CSc1ccccc1NC(=O)CN1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000193607453 548392130 /nfs/dbraw/zinc/39/21/30/548392130.db2.gz ZHWNDXBKTBOCRJ-OAGGEKHMSA-N 1 0 358.511 2.370 20 30 FEEDRO N#Cc1ccc(NC(=O)C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000194629850 548509119 /nfs/dbraw/zinc/50/91/19/548509119.db2.gz XVNSYHUIPCQHRK-SFHVURJKSA-N 1 0 362.433 2.135 20 30 FEEDRO C=CCN(C(=O)[C@@H]1C[N@H+](C)C[C@@H]1C)[C@@H](Cc1ccccc1)C(=O)OCC ZINC000487354985 561368118 /nfs/dbraw/zinc/36/81/18/561368118.db2.gz OXTCRLWTICSREQ-UHOSZYNNSA-N 1 0 358.482 2.373 20 30 FEEDRO C=CCN1C(=O)c2ccc(C(=O)N[C@@H]3CCC[C@@H]([NH+](C)C)C3)cc2C1=O ZINC000487436880 561369724 /nfs/dbraw/zinc/36/97/24/561369724.db2.gz HHKGVKGIFQVXIG-HUUCEWRRSA-N 1 0 355.438 2.071 20 30 FEEDRO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000245461575 548927074 /nfs/dbraw/zinc/92/70/74/548927074.db2.gz NDDBCTJFSKVDER-JTDSTZFVSA-N 1 0 358.461 2.407 20 30 FEEDRO N#Cc1ccc(N2CCC[C@@H]([N@@H+]3CCC[C@@H](Cn4cncn4)C3)C2=O)cc1 ZINC000245513397 548936769 /nfs/dbraw/zinc/93/67/69/548936769.db2.gz AHBQWPBKFBGUPB-IEBWSBKVSA-N 1 0 364.453 2.057 20 30 FEEDRO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)cc1 ZINC000245511526 548937275 /nfs/dbraw/zinc/93/72/75/548937275.db2.gz YJZPOGQOFAEEOP-FUHWJXTLSA-N 1 0 357.454 2.048 20 30 FEEDRO CO[C@@H]1CN(CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)C[C@@H]1OC ZINC000487983540 561380647 /nfs/dbraw/zinc/38/06/47/561380647.db2.gz VUSBSIQMQHTASZ-CALCHBBNSA-N 1 0 365.861 2.241 20 30 FEEDRO CCS[C@@H]1CC[C@@H]([N@H+](C)CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)C1 ZINC000245556660 548945575 /nfs/dbraw/zinc/94/55/75/548945575.db2.gz JCNMLZZZNZRZQG-KZNAEPCWSA-N 1 0 366.575 2.285 20 30 FEEDRO C[C@H](O)C[N@@H+]1CCN(Cc2ccc(C#N)cc2Br)C[C@H]1C ZINC000245564148 548948081 /nfs/dbraw/zinc/94/80/81/548948081.db2.gz YVHASOJKSJQYLD-OLZOCXBDSA-N 1 0 352.276 2.208 20 30 FEEDRO CN1CC[C@@H](NS(=O)(=O)CCCCC#N)[C@H]1c1ccc(F)c(F)c1 ZINC000245701818 548978496 /nfs/dbraw/zinc/97/84/96/548978496.db2.gz QXHNYWVNLUMBKK-HZPDHXFCSA-N 1 0 357.426 2.323 20 30 FEEDRO CN(CCC#N)C(=O)CC[N@H+](CCO)Cc1cccc(Br)c1 ZINC000488199786 561385913 /nfs/dbraw/zinc/38/59/13/561385913.db2.gz NXCYVPPQXLVYGQ-UHFFFAOYSA-N 1 0 368.275 2.006 20 30 FEEDRO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCO[C@@H]2CC[C@H](OC)C[C@@H]21 ZINC000246061690 549044625 /nfs/dbraw/zinc/04/46/25/549044625.db2.gz BICWYGZHMJSKNT-XODKDNOYSA-N 1 0 361.482 2.423 20 30 FEEDRO C[N@@H+]1CCC[C@@H]2CN(S(=O)(=O)c3ccc(Cl)cc3C#N)CC[C@H]21 ZINC000246326693 549106293 /nfs/dbraw/zinc/10/62/93/549106293.db2.gz ZHNXUOFSMDFREK-IUODEOHRSA-N 1 0 353.875 2.316 20 30 FEEDRO N#Cc1ccc(OC[C@H](O)C[N@@H+](CCO)[C@@H]2CCc3ccccc32)cc1 ZINC000246363463 549115308 /nfs/dbraw/zinc/11/53/08/549115308.db2.gz LBLTZYWNBLPHMY-WIYYLYMNSA-N 1 0 352.434 2.280 20 30 FEEDRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N(CCC#N)CCC(C)C)CC1=O ZINC000246450031 549135525 /nfs/dbraw/zinc/13/55/25/549135525.db2.gz OPBXGWWVUVEEHK-ZWKOTPCHSA-N 1 0 362.518 2.108 20 30 FEEDRO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H]2C[C@H](O)c2ccco2)cc1 ZINC000246459452 549137978 /nfs/dbraw/zinc/13/79/78/549137978.db2.gz FQVRITARQINFCX-SCTDSRPQSA-N 1 0 356.422 2.479 20 30 FEEDRO N#Cc1cc(F)ccc1S(=O)(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246710032 549192974 /nfs/dbraw/zinc/19/29/74/549192974.db2.gz UJIPVKPRZAWFKN-GUYCJALGSA-N 1 0 363.458 2.335 20 30 FEEDRO CC[C@@H]1CN(C(=O)C(C)(C)Oc2ccc(C#N)cc2)CC[N@@H+]1C[C@H](C)O ZINC000247142411 549290372 /nfs/dbraw/zinc/29/03/72/549290372.db2.gz WHVFVSNYEFSVJR-DOTOQJQBSA-N 1 0 359.470 2.019 20 30 FEEDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2S(=O)(=O)c2ccc(Cl)c(C#N)c2)C1 ZINC000247669581 549370739 /nfs/dbraw/zinc/37/07/39/549370739.db2.gz ZESOLDWJIXJDBT-BLLLJJGKSA-N 1 0 353.875 2.316 20 30 FEEDRO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1 ZINC000248371948 549423694 /nfs/dbraw/zinc/42/36/94/549423694.db2.gz ZHQXORUVNGGVFI-IAGOWNOFSA-N 1 0 371.485 2.049 20 30 FEEDRO C[C@H](O)C[N@@H+]1CCN(Cc2ccc(C#N)cc2Br)[C@@H](C)C1 ZINC000248637939 549473970 /nfs/dbraw/zinc/47/39/70/549473970.db2.gz APWLOKMAAMIHFI-STQMWFEESA-N 1 0 352.276 2.208 20 30 FEEDRO C[C@@H]1C[C@@H](O)C[C@H](C)[N@H+]1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000248860553 549516017 /nfs/dbraw/zinc/51/60/17/549516017.db2.gz XGEXNYYSIBUENM-XOIINTDNSA-N 1 0 368.399 2.407 20 30 FEEDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000489589209 561414856 /nfs/dbraw/zinc/41/48/56/561414856.db2.gz UJDACQCFHXWURA-MJBXVCDLSA-N 1 0 353.463 2.342 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000248911691 549526852 /nfs/dbraw/zinc/52/68/52/549526852.db2.gz VMCGXOOGSQPKNF-YLJYHZDGSA-N 1 0 356.514 2.457 20 30 FEEDRO CN(C(=O)c1ccnc(C#N)c1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000249106015 549552899 /nfs/dbraw/zinc/55/28/99/549552899.db2.gz PHNZJKQEKNBZPK-WOJBJXKFSA-N 1 0 369.513 2.362 20 30 FEEDRO CC(C)C[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2ccc(C#N)c(F)c2)C1 ZINC000489717169 561417741 /nfs/dbraw/zinc/41/77/41/561417741.db2.gz ISMFQERIWHYVPN-AWEZNQCLSA-N 1 0 353.463 2.344 20 30 FEEDRO CC[NH+]=C(NC[C@](C)(O)c1cccs1)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000261639915 549738478 /nfs/dbraw/zinc/73/84/78/549738478.db2.gz DHACEHLPFOHVGF-OGIUKLMXSA-N 1 0 351.516 2.324 20 30 FEEDRO CC[S@](=O)[C@@H]1CCC[C@@H](NC(NCc2cn3ccccc3n2)=[NH+]C)C1 ZINC000261870958 549764074 /nfs/dbraw/zinc/76/40/74/549764074.db2.gz ZPLBCWKPMIVVJH-ZCBSFCEKSA-N 1 0 361.515 2.079 20 30 FEEDRO C=CCN(C(=O)CC[C@@H]1CC[NH2+]C1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000261906465 549768628 /nfs/dbraw/zinc/76/86/28/549768628.db2.gz VUXIEQMPYDESFP-HZPDHXFCSA-N 1 0 354.458 2.128 20 30 FEEDRO Cc1nnc(CNC(=[NH+]C2CC2)N2CC[C@@H](Cc3ccc(F)cc3)C2)n1C ZINC000261951539 549773752 /nfs/dbraw/zinc/77/37/52/549773752.db2.gz HNMUYUCLPGLHKO-INIZCTEOSA-N 1 0 370.476 2.435 20 30 FEEDRO C[NH+]=C(NC[C@@H](C)c1ccc(F)cc1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000262008457 549779856 /nfs/dbraw/zinc/77/98/56/549779856.db2.gz WCJSCHUJBGFCQZ-CYBMUJFWSA-N 1 0 355.479 2.014 20 30 FEEDRO C[NH+]=C(NCC(=O)N1CCc2ccccc2C1)NCc1sc(C)nc1C ZINC000262452942 549821081 /nfs/dbraw/zinc/82/10/81/549821081.db2.gz WJKNBOOBXUGKIW-UHFFFAOYSA-N 1 0 371.510 2.010 20 30 FEEDRO Cc1cccc(C(=O)NCCNC(=[NH2+])N[C@H]2CCOc3ccccc32)c1 ZINC000262509009 549825255 /nfs/dbraw/zinc/82/52/55/549825255.db2.gz LTBWIZGBLRNATR-KRWDZBQOSA-N 1 0 352.438 2.153 20 30 FEEDRO CC[NH+]=C(NCc1ccc(F)c(C)c1)NC[C@@H]1CCc2nnc(C)n2C1 ZINC000262749654 549846173 /nfs/dbraw/zinc/84/61/73/549846173.db2.gz BMRSPXQMWCUQNC-INIZCTEOSA-N 1 0 358.465 2.352 20 30 FEEDRO C[NH+]=C(NC[C@H]1CCc2nnc(C)n2C1)NCC1(c2ccccc2)CCC1 ZINC000262782152 549849317 /nfs/dbraw/zinc/84/93/17/549849317.db2.gz LKYMLFRYGVEPPU-QGZVFWFLSA-N 1 0 366.513 2.436 20 30 FEEDRO Cc1cc(CNC(=[NH2+])Nc2cccc3c2CCCC3)ccc1S(N)(=O)=O ZINC000262808031 549852433 /nfs/dbraw/zinc/85/24/33/549852433.db2.gz SUBZHYYUMWLJNS-UHFFFAOYSA-N 1 0 372.494 2.448 20 30 FEEDRO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@@H]1N2S(=O)(=O)c1ccc(C#N)nc1 ZINC000263647057 549912210 /nfs/dbraw/zinc/91/22/10/549912210.db2.gz AKZYLPJSRHEHOW-MJGOQNOKSA-N 1 0 368.462 2.258 20 30 FEEDRO N#Cc1ccc(N2CCC([NH2+][C@@H](C(N)=O)c3ccc(F)cc3)CC2)cc1 ZINC000263859906 549947256 /nfs/dbraw/zinc/94/72/56/549947256.db2.gz VEXXOMDFRJZWMQ-LJQANCHMSA-N 1 0 352.413 2.482 20 30 FEEDRO N#Cc1cc(S(=O)(=O)NC2CCN(Cc3ccccn3)CC2)ccc1F ZINC000264057568 549973800 /nfs/dbraw/zinc/97/38/00/549973800.db2.gz JRGCWOVAVCNQBJ-UHFFFAOYSA-N 1 0 374.441 2.035 20 30 FEEDRO COc1ccc(CNC(=[NH2+])NCc2ccc(OC)c(OC)c2)c(OC)c1 ZINC000264085645 549977356 /nfs/dbraw/zinc/97/73/56/549977356.db2.gz JOBRBDWHWCSITQ-UHFFFAOYSA-N 1 0 359.426 2.326 20 30 FEEDRO CCOC(=O)N1CCC(NC(=[NH2+])NC[C@H]2CCN(c3ccccc3)C2)CC1 ZINC000264106198 549979580 /nfs/dbraw/zinc/97/95/80/549979580.db2.gz PREFRRWIZWTVMN-MRXNPFEDSA-N 1 0 373.501 2.038 20 30 FEEDRO COc1cc(CNC(=[NH2+])Nc2ccc3c(c2)CCC3)ccc1OCCO ZINC000264125108 549981822 /nfs/dbraw/zinc/98/18/22/549981822.db2.gz WCIBOTLJKOPLTE-UHFFFAOYSA-N 1 0 355.438 2.482 20 30 FEEDRO C[C@@H](NC(=[NH2+])NC[C@H]1CCS(=O)(=O)C1)c1ccc(Cl)cc1Cl ZINC000264132035 549983333 /nfs/dbraw/zinc/98/33/33/549983333.db2.gz UGWYHWJJBNPEMO-NXEZZACHSA-N 1 0 364.298 2.393 20 30 FEEDRO COc1ccccc1CNC(=[NH2+])NCc1cc(OC)c(OC)c(OC)c1 ZINC000264140013 549983944 /nfs/dbraw/zinc/98/39/44/549983944.db2.gz WBLLBXKZIRHFCR-UHFFFAOYSA-N 1 0 359.426 2.326 20 30 FEEDRO CC[NH+](CC)CCOc1ccccc1NC(=O)C(=O)NCCCCC#N ZINC000264220634 549992954 /nfs/dbraw/zinc/99/29/54/549992954.db2.gz XJKWIOWLDVUKHQ-UHFFFAOYSA-N 1 0 360.458 2.156 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2cccc(C(=O)N(C)C)c2)CC1 ZINC000264353326 549994484 /nfs/dbraw/zinc/99/44/84/549994484.db2.gz DMPJCMLHLFPSNO-UHFFFAOYSA-N 1 0 358.486 2.228 20 30 FEEDRO N#CCCN(C(=O)CCC(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccccc1 ZINC000264598611 549998551 /nfs/dbraw/zinc/99/85/51/549998551.db2.gz VGWABEKGNITFFJ-OALUTQOASA-N 1 0 368.481 2.456 20 30 FEEDRO CCCc1nc(CON=C(N)[C@@H](C)CN(C)C(=O)OC(C)(C)C)no1 ZINC000264827304 550002190 /nfs/dbraw/zinc/00/21/90/550002190.db2.gz HFZPFULMEWAMRQ-NSHDSACASA-N 1 0 355.439 2.314 20 30 FEEDRO N#CCOc1cccc(NC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000265801605 550014101 /nfs/dbraw/zinc/01/41/01/550014101.db2.gz NLJLUOZEXHERNJ-KRWDZBQOSA-N 1 0 370.453 2.004 20 30 FEEDRO C=CCOCCCC(=O)NCc1ccc(OCC[NH+](C)C)c(OC)c1 ZINC000266275727 550018851 /nfs/dbraw/zinc/01/88/51/550018851.db2.gz IOSSNZYOFZQADZ-UHFFFAOYSA-N 1 0 350.459 2.235 20 30 FEEDRO C=CCNC(=O)c1ccc(NC(=O)NC[C@]2([NH+](C)C)CCSC2)cc1 ZINC000267248159 550029094 /nfs/dbraw/zinc/02/90/94/550029094.db2.gz ZGVZXQSWHIBBBQ-GOSISDBHSA-N 1 0 362.499 2.161 20 30 FEEDRO NC(=O)COc1cccc(CNC(=[NH2+])Nc2cccc3c2CCCC3)c1 ZINC000267429156 550031466 /nfs/dbraw/zinc/03/14/66/550031466.db2.gz MAZGRVMFIJIIDV-UHFFFAOYSA-N 1 0 352.438 2.356 20 30 FEEDRO C=CCNC(=O)[C@@H](C)N1CCCN(Cc2csc([C@@H](C)OC)n2)CC1 ZINC000267725082 550034315 /nfs/dbraw/zinc/03/43/15/550034315.db2.gz MILPKPOBIZHYAD-HUUCEWRRSA-N 1 0 366.531 2.049 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1ccc2c(c1)NC(=O)CS2 ZINC000267945455 550035822 /nfs/dbraw/zinc/03/58/22/550035822.db2.gz RMBKXUJRBRYSBY-UHFFFAOYSA-N 1 0 361.471 2.430 20 30 FEEDRO COC(=O)C(C)(C)C[NH2+][C@@H](C)C(=O)N(CCC#N)c1ccccc1OC ZINC000268341944 550052261 /nfs/dbraw/zinc/05/22/61/550052261.db2.gz PHSOLQAYHFFJBL-AWEZNQCLSA-N 1 0 361.442 2.119 20 30 FEEDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2ccc(C#N)cc2Cl)C1 ZINC000269060988 550150080 /nfs/dbraw/zinc/15/00/80/550150080.db2.gz BGSQMNXBXOHNNZ-AWEZNQCLSA-N 1 0 362.861 2.387 20 30 FEEDRO C=CCOc1ccc(C[N@@H+]2CCC[C@H](CNS(C)(=O)=O)C2)cc1OC ZINC000269472260 550199576 /nfs/dbraw/zinc/19/95/76/550199576.db2.gz LGWJACUUDJJIEK-MRXNPFEDSA-N 1 0 368.499 2.021 20 30 FEEDRO CC(C)[NH+]1CCN(C2CCN(C(=O)c3ccccc3OCC#N)CC2)CC1 ZINC000270483600 550276559 /nfs/dbraw/zinc/27/65/59/550276559.db2.gz AAUVYFRJOPYLPT-UHFFFAOYSA-N 1 0 370.497 2.220 20 30 FEEDRO CC(C)(C#N)CC(=O)Nc1ccc(CC[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000493976843 561460318 /nfs/dbraw/zinc/46/03/18/561460318.db2.gz KUKUQFXUSQIEHV-UHFFFAOYSA-N 1 0 356.470 2.305 20 30 FEEDRO N#CCc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2CO)cc1 ZINC000270810411 550309441 /nfs/dbraw/zinc/30/94/41/550309441.db2.gz GYEJJWABDOYKKB-NHCUHLMSSA-N 1 0 363.461 2.365 20 30 FEEDRO COCC[N@H+](C)CCCC1CCN(c2ncc([N+](=O)[O-])cc2C#N)CC1 ZINC000270874546 550316177 /nfs/dbraw/zinc/31/61/77/550316177.db2.gz CKOFTFYUHBUVIK-UHFFFAOYSA-N 1 0 361.446 2.436 20 30 FEEDRO CNC(=O)CN1CCC([NH2+]C2CCC(C#N)(c3ccccc3)CC2)CC1 ZINC000271079137 550338299 /nfs/dbraw/zinc/33/82/99/550338299.db2.gz PZMHCIUZZCMARD-UHFFFAOYSA-N 1 0 354.498 2.191 20 30 FEEDRO C=C1CC[NH+](Cc2ccc(OCC(=O)N3CCOCC3)c(OC)c2)CC1 ZINC000271178109 550348675 /nfs/dbraw/zinc/34/86/75/550348675.db2.gz VHQIMDULLJEKSA-UHFFFAOYSA-N 1 0 360.454 2.085 20 30 FEEDRO N#Cc1c2c(sc1NC(=O)CC[NH+]1CCC(CCC(N)=O)CC1)CCC2 ZINC000271240317 550356321 /nfs/dbraw/zinc/35/63/21/550356321.db2.gz OQTYMLJKLUMZST-UHFFFAOYSA-N 1 0 374.510 2.415 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)[C@H]2CC(=O)N(c3c(F)cccc3F)C2)CC1 ZINC000271465901 550377426 /nfs/dbraw/zinc/37/74/26/550377426.db2.gz KIJAGOCMLZPMKU-ZDUSSCGKSA-N 1 0 363.408 2.084 20 30 FEEDRO C=C(C)COc1cccc(NC(=O)C(=O)NCC2(C)CC[NH+](C)CC2)c1 ZINC000272759416 550469294 /nfs/dbraw/zinc/46/92/94/550469294.db2.gz YNRPHOGQUHLPTJ-UHFFFAOYSA-N 1 0 359.470 2.428 20 30 FEEDRO C[C@@H](NC(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1)C1=CC[N@H+](C)CC1 ZINC000272958262 550478373 /nfs/dbraw/zinc/47/83/73/550478373.db2.gz NGWHLHRQGUPDSU-XLIONFOSSA-N 1 0 367.497 2.056 20 30 FEEDRO CC1CC[NH+](CCc2cccc(NC(=O)C(=O)NCCCC#N)c2)CC1 ZINC000273090526 550484590 /nfs/dbraw/zinc/48/45/90/550484590.db2.gz ILNBFUUVWXDTMM-UHFFFAOYSA-N 1 0 356.470 2.319 20 30 FEEDRO CN(Cc1ccccc1Br)C(=O)CCNC(=[NH2+])N(C)C1CC1 ZINC000273330032 550494654 /nfs/dbraw/zinc/49/46/54/550494654.db2.gz JFJGMLHPBYRVLC-UHFFFAOYSA-N 1 0 367.291 2.207 20 30 FEEDRO COc1ccc(CCNC(=[NH2+])NC[C@@H](O)CCc2ccccc2)cc1OC ZINC000273354720 550495609 /nfs/dbraw/zinc/49/56/09/550495609.db2.gz RDQJOYDKISPQKD-SFHVURJKSA-N 1 0 371.481 2.144 20 30 FEEDRO COc1cc(N2CC[NH+](CCCSCC#N)CC2)cc(OC)c1OC ZINC000273598447 550504573 /nfs/dbraw/zinc/50/45/73/550504573.db2.gz KVBVUHYIZOJEJT-UHFFFAOYSA-N 1 0 365.499 2.481 20 30 FEEDRO Cc1c(-c2cc(CON=C(N)c3ccc(C[NH+](C)C)cc3)on2)cnn1C ZINC000274324258 550532661 /nfs/dbraw/zinc/53/26/61/550532661.db2.gz KXTNKUYPPFHKPW-UHFFFAOYSA-N 1 0 368.441 2.282 20 30 FEEDRO CC(C)[C@H](CN(C)Cc1ccccc1)[NH2+]CC(=O)N(CCC#N)CCC#N ZINC000274867296 550561065 /nfs/dbraw/zinc/56/10/65/550561065.db2.gz URGVCKDFHRFNTF-FQEVSTJZSA-N 1 0 369.513 2.389 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CCO[C@@H]2c2ccc(OC)nc2)CC1 ZINC000275323337 550571595 /nfs/dbraw/zinc/57/15/95/550571595.db2.gz CXSVYQAJVCABDQ-PKOBYXMFSA-N 1 0 374.485 2.260 20 30 FEEDRO C=C[C@@](C)(CCOC)C(=O)NCc1ccc(OCC[NH+](C)C)c(OC)c1 ZINC000275841485 550574841 /nfs/dbraw/zinc/57/48/41/550574841.db2.gz UUYMCDYWJNXNSR-FQEVSTJZSA-N 1 0 364.486 2.481 20 30 FEEDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)Nc1ccccc1O[C@@H](C)C#N ZINC000275895673 550575208 /nfs/dbraw/zinc/57/52/08/550575208.db2.gz QFNXLVFHIMNLJX-LSDHHAIUSA-N 1 0 372.469 2.105 20 30 FEEDRO C=CCCN(C)C(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000276313290 550577815 /nfs/dbraw/zinc/57/78/15/550577815.db2.gz UQOHYHLONYZQJB-SFHVURJKSA-N 1 0 358.486 2.101 20 30 FEEDRO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NCC1(O)CC[NH+](C)CC1 ZINC000276482527 550578654 /nfs/dbraw/zinc/57/86/54/550578654.db2.gz OPULSFTVFFBNPO-UHFFFAOYSA-N 1 0 373.497 2.050 20 30 FEEDRO Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000277411758 550667233 /nfs/dbraw/zinc/66/72/33/550667233.db2.gz ZJGZHMMHIVIRLQ-QGZVFWFLSA-N 1 0 368.485 2.093 20 30 FEEDRO CS[C@@H]1CN(S(=O)(=O)c2ccc(C#N)c(C)c2)C[C@@H]1[NH+]1CCCC1 ZINC000277506524 550678659 /nfs/dbraw/zinc/67/86/59/550678659.db2.gz BDCFQBFNHMVGTB-DLBZAZTESA-N 1 0 365.524 2.067 20 30 FEEDRO C#CC[C@H](NC(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1)c1ccccc1 ZINC000277837162 550719875 /nfs/dbraw/zinc/71/98/75/550719875.db2.gz XTFFFQNZNXPGNL-NRFANRHFSA-N 1 0 368.525 2.420 20 30 FEEDRO C#CCN(Cc1ccc(F)cc1)C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000277854519 550721561 /nfs/dbraw/zinc/72/15/61/550721561.db2.gz YYTBXDJYVHMWSL-KRWDZBQOSA-N 1 0 361.461 2.471 20 30 FEEDRO C[NH+]1CCC(NC(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)CC1 ZINC000277941501 550731539 /nfs/dbraw/zinc/73/15/39/550731539.db2.gz KIPMIJVCGKQMBQ-UHFFFAOYSA-N 1 0 361.877 2.137 20 30 FEEDRO CC[C@@H](C)NC(=O)CC[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000278717696 550814588 /nfs/dbraw/zinc/81/45/88/550814588.db2.gz SPGNAMHNWJPTCE-OAHLLOKOSA-N 1 0 354.458 2.253 20 30 FEEDRO COC[C@H]([NH2+]CC(=O)N(CCC#N)c1cccc(Cl)c1)[C@@H]1CCCO1 ZINC000279083322 550853108 /nfs/dbraw/zinc/85/31/08/550853108.db2.gz OILXHXHFUDHTSP-IRXDYDNUSA-N 1 0 365.861 2.370 20 30 FEEDRO C#CCn1ccc(CN(CC)C(=O)NCc2cccc(C[NH+](C)C)c2)n1 ZINC000279277156 550872650 /nfs/dbraw/zinc/87/26/50/550872650.db2.gz SPIVXABJFKNIKA-UHFFFAOYSA-N 1 0 353.470 2.310 20 30 FEEDRO CCOC(=O)c1ncn(C2CC[NH+](Cc3cccc(C#N)c3)CC2)c1N ZINC000279387202 550884300 /nfs/dbraw/zinc/88/43/00/550884300.db2.gz YJARYFWALAYXPG-UHFFFAOYSA-N 1 0 353.426 2.351 20 30 FEEDRO C=CCc1ccc(OCC(=O)N2C[C@H](SC)[C@@H]([NH+](C)C)C2)c(OC)c1 ZINC000495551206 561489570 /nfs/dbraw/zinc/48/95/70/561489570.db2.gz UQLJNWILUPAPIS-YJBOKZPZSA-N 1 0 364.511 2.307 20 30 FEEDRO CC[NH+](CC)CC(=O)N1CCN(C(=O)c2ccc(C(C)(C)C#N)cc2)CC1 ZINC000280432828 550993157 /nfs/dbraw/zinc/99/31/57/550993157.db2.gz DQOHMJOTMFCPSS-UHFFFAOYSA-N 1 0 370.497 2.114 20 30 FEEDRO CNC(=O)[C@]1(C)CC[N@H+](CC(=O)N(CCC#N)c2ccc(C)c(C)c2)C1 ZINC000280658297 551018453 /nfs/dbraw/zinc/01/84/53/551018453.db2.gz DRHOVYLDPMUNEV-HXUWFJFHSA-N 1 0 356.470 2.008 20 30 FEEDRO COC(=O)[C@@H]1C[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C[C@H]1C ZINC000280814062 551035292 /nfs/dbraw/zinc/03/52/92/551035292.db2.gz UDAOFRHBNCGJMR-JKIFEVAISA-N 1 0 361.417 2.202 20 30 FEEDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N(CCC#N)CCC[NH+](C)C)c1 ZINC000280878836 551041693 /nfs/dbraw/zinc/04/16/93/551041693.db2.gz CHDBRTCASMTBIC-UHFFFAOYSA-N 1 0 362.430 2.366 20 30 FEEDRO Cc1oc(C#N)cc1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000281012755 551054872 /nfs/dbraw/zinc/05/48/72/551054872.db2.gz HKXPFKYUGIEORK-APWZRJJASA-N 1 0 353.422 2.073 20 30 FEEDRO COCC[N@H+](C)CC[C@@H](NC(=O)c1cc(C#N)ccn1)c1ccccc1 ZINC000496410675 561493840 /nfs/dbraw/zinc/49/38/40/561493840.db2.gz IWRDLIXFCMWLAR-GOSISDBHSA-N 1 0 352.438 2.393 20 30 FEEDRO N#CCCn1cc(C[N@H+]2CC[C@@H]3NC(=O)OC[C@H]3C2)c(-c2ccccc2)n1 ZINC000281304418 551082877 /nfs/dbraw/zinc/08/28/77/551082877.db2.gz PYRBHDSAFKJKKT-MSOLQXFVSA-N 1 0 365.437 2.394 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000281900073 551155100 /nfs/dbraw/zinc/15/51/00/551155100.db2.gz UWLOELBADNTRSK-MJGOQNOKSA-N 1 0 361.486 2.407 20 30 FEEDRO C=CCn1c(C(=O)NC(C)C)nnc1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000282443505 551229750 /nfs/dbraw/zinc/22/97/50/551229750.db2.gz ZRVCRUPIESOTAL-DOTOQJQBSA-N 1 0 372.517 2.055 20 30 FEEDRO C#Cc1cc(F)c(NC(=O)C(=O)NC[C@@H](C(C)C)[NH+]2CCCC2)c(F)c1 ZINC000282795491 551271544 /nfs/dbraw/zinc/27/15/44/551271544.db2.gz GOFYTCPYGKDDNQ-INIZCTEOSA-N 1 0 363.408 2.121 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)NCc2ccc3c(c2)nc(C2CC2)n3C)CC1 ZINC000282935708 551287338 /nfs/dbraw/zinc/28/73/38/551287338.db2.gz PFWMCUDZSTWXOH-UHFFFAOYSA-N 1 0 350.466 2.412 20 30 FEEDRO C[C@@H](CC#N)N(C)S(=O)(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000282956607 551289711 /nfs/dbraw/zinc/28/97/11/551289711.db2.gz KEWJBYDWUCEWMS-INIZCTEOSA-N 1 0 364.515 2.241 20 30 FEEDRO C=C(C)CN(CC)C(=O)C(=O)NC[C@H](c1ccccc1OC)[NH+]1CCCC1 ZINC000283476920 551373128 /nfs/dbraw/zinc/37/31/28/551373128.db2.gz OCLNESDSNATCJN-GOSISDBHSA-N 1 0 373.497 2.373 20 30 FEEDRO N#Cc1ccc(CN2CCC([NH2+][C@H]3CCC(=O)NC34CCC4)CC2)cc1 ZINC000283503098 551377864 /nfs/dbraw/zinc/37/78/64/551377864.db2.gz YXCLPPPMBLCHRU-IBGZPJMESA-N 1 0 352.482 2.314 20 30 FEEDRO C[C@@H](NC(=O)C(=O)NC1CC[NH+](C(C)(C)C)CC1)c1ccc(C#N)cc1 ZINC000283512339 551379612 /nfs/dbraw/zinc/37/96/12/551379612.db2.gz BRNBOADSWAJWOD-CQSZACIVSA-N 1 0 356.470 2.115 20 30 FEEDRO C=C(C)Cn1c(-c2ccc[nH]2)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000283570824 551389922 /nfs/dbraw/zinc/38/99/22/551389922.db2.gz JLKMLGAFEQVVDP-MRXNPFEDSA-N 1 0 356.474 2.008 20 30 FEEDRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C)C1 ZINC000283624918 551399161 /nfs/dbraw/zinc/39/91/61/551399161.db2.gz WMMFGMSBQJLKMM-KRWDZBQOSA-N 1 0 368.485 2.434 20 30 FEEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+](CCOCCO)C(C)C)c1 ZINC000283676852 551407737 /nfs/dbraw/zinc/40/77/37/551407737.db2.gz GXQJSAPSRYHIJR-UHFFFAOYSA-N 1 0 361.486 2.269 20 30 FEEDRO C[C@H](NC(=O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)c1ccc(C#N)cc1 ZINC000283691494 551410175 /nfs/dbraw/zinc/41/01/75/551410175.db2.gz XMXQYUCGXYGXRS-ZDUSSCGKSA-N 1 0 356.470 2.161 20 30 FEEDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)N[C@H](C)c2ccc(C#N)cc2)C1 ZINC000283913410 551448922 /nfs/dbraw/zinc/44/89/22/551448922.db2.gz IQINYNMNPYDAKH-SJLPKXTDSA-N 1 0 370.497 2.220 20 30 FEEDRO C[C@@H](NC(=O)C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)c1ccc(C#N)cc1 ZINC000283977711 551461021 /nfs/dbraw/zinc/46/10/21/551461021.db2.gz LUZPVFOPGCFDFJ-VQIMIIECSA-N 1 0 368.481 2.212 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N(C)[C@H](C)c1cccnc1)C(C)C ZINC000284062449 551477079 /nfs/dbraw/zinc/47/70/79/551477079.db2.gz NLKUCCUFEAULST-IEBWSBKVSA-N 1 0 372.513 2.416 20 30 FEEDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N[C@@H](C)c1ccc(C#N)cc1 ZINC000284074698 551479249 /nfs/dbraw/zinc/47/92/49/551479249.db2.gz RONMEPRZHNRGFI-MAUKXSAKSA-N 1 0 356.470 2.116 20 30 FEEDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)C(=O)NCc2cccc(C#N)c2)C1 ZINC000284164349 551495586 /nfs/dbraw/zinc/49/55/86/551495586.db2.gz YHMFKTRSRCJIPU-CALCHBBNSA-N 1 0 370.497 2.049 20 30 FEEDRO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)C(=O)NCc2cccc(C#N)c2)C1 ZINC000284164440 551495938 /nfs/dbraw/zinc/49/59/38/551495938.db2.gz YHYLPCZMSJXVHH-HOTGVXAUSA-N 1 0 370.497 2.047 20 30 FEEDRO C[NH+](C)[C@@H]1CCN(c2ccc(NC(=O)c3ccc(F)c(C#N)c3)nc2)C1 ZINC000284339323 551527658 /nfs/dbraw/zinc/52/76/58/551527658.db2.gz XIURTRYFZBREOT-MRXNPFEDSA-N 1 0 353.401 2.485 20 30 FEEDRO C=CCCCNC(=O)C(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000284354071 551531209 /nfs/dbraw/zinc/53/12/09/551531209.db2.gz KXAAKCRNRUAICU-GOSISDBHSA-N 1 0 359.470 2.031 20 30 FEEDRO C=C(C)CN(CC)C(=O)C(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000284494460 551561633 /nfs/dbraw/zinc/56/16/33/551561633.db2.gz RXJHVCXHSBFTEF-LJQANCHMSA-N 1 0 373.497 2.373 20 30 FEEDRO Cn1c(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)ccc1[N+](=O)[O-] ZINC000498382116 561523874 /nfs/dbraw/zinc/52/38/74/561523874.db2.gz KJIJEUDSYUYPCW-UHFFFAOYSA-N 1 0 355.398 2.009 20 30 FEEDRO NC(=[NH+]OC[C@H]1CCCS(=O)(=O)C1)c1ccc(N2CCCCC2)cc1 ZINC000284626157 551593353 /nfs/dbraw/zinc/59/33/53/551593353.db2.gz ZWJZSKKQUKEKHF-OAHLLOKOSA-N 1 0 365.499 2.139 20 30 FEEDRO C=CC[C@H](CO)CNC(=O)N[C@@H]1CC[N@H+](C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000498531160 561527103 /nfs/dbraw/zinc/52/71/03/561527103.db2.gz ZPGXDAKKACBOHA-CWFSZBLJSA-N 1 0 373.497 2.457 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)Cc2ccccc2F)CC1 ZINC000284802416 551637294 /nfs/dbraw/zinc/63/72/94/551637294.db2.gz WWEVXIPLILFKJV-HNNXBMFYSA-N 1 0 361.461 2.030 20 30 FEEDRO COc1ccccc1[C@H](CNC(=O)Cc1noc(C)c1C#N)[NH+]1CCCC1 ZINC000498537489 561527365 /nfs/dbraw/zinc/52/73/65/561527365.db2.gz AQTYYKQFNPKWOM-SFHVURJKSA-N 1 0 368.437 2.359 20 30 FEEDRO C=CCN(CCc1ccco1)C(=O)C(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000285277726 551730803 /nfs/dbraw/zinc/73/08/03/551730803.db2.gz ZTOOYEOVKFUYQZ-SJORKVTESA-N 1 0 361.486 2.073 20 30 FEEDRO CC(C)(C#N)CC(=O)N1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000285729932 551802187 /nfs/dbraw/zinc/80/21/87/551802187.db2.gz IVHGKHJCVHYMDS-IBGZPJMESA-N 1 0 354.498 2.345 20 30 FEEDRO N#Cc1ccc(N2CCC([NH2+]C[C@@H]3COC4(CCOCC4)O3)CC2)cc1 ZINC000286002809 551836743 /nfs/dbraw/zinc/83/67/43/551836743.db2.gz HSCJMEZABPWVEE-LJQANCHMSA-N 1 0 357.454 2.039 20 30 FEEDRO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000499069382 561542596 /nfs/dbraw/zinc/54/25/96/561542596.db2.gz LVLASTYHGAPMNG-DOXZYTNZSA-N 1 0 354.458 2.361 20 30 FEEDRO C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)CC[N@@H+]1C ZINC000286321924 551874066 /nfs/dbraw/zinc/87/40/66/551874066.db2.gz QAYSBBIERAPKKM-DJIMGWMZSA-N 1 0 358.461 2.465 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N2CCSC[C@H]2c2ccccc2)CC1 ZINC000286425109 551885028 /nfs/dbraw/zinc/88/50/28/551885028.db2.gz GCLGBDAWSDWKIK-SFHVURJKSA-N 1 0 373.522 2.070 20 30 FEEDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000286541166 551897779 /nfs/dbraw/zinc/89/77/79/551897779.db2.gz CDJHOUVCCCTIJY-DOMZBBRYSA-N 1 0 353.875 2.459 20 30 FEEDRO COC(=O)[C@@]1(C(F)(F)F)CC[N@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000286631183 551908461 /nfs/dbraw/zinc/90/84/61/551908461.db2.gz SPMALPBIWGNSOR-MRXNPFEDSA-N 1 0 369.343 2.314 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)[C@@H](C)c2ccccc2)CC1 ZINC000286661596 551912030 /nfs/dbraw/zinc/91/20/30/551912030.db2.gz NXCGVWMKDATEIR-SJORKVTESA-N 1 0 357.498 2.452 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCC[C@@H]2Cc2ccccc2)CC1 ZINC000286837694 551931939 /nfs/dbraw/zinc/93/19/39/551931939.db2.gz XVXBESZHYHWTDG-QUCCMNQESA-N 1 0 369.509 2.281 20 30 FEEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000287175093 551972932 /nfs/dbraw/zinc/97/29/32/551972932.db2.gz NDTTWMSXPUZJGE-RBUKOAKNSA-N 1 0 368.481 2.062 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N2C[C@H](c3ccccc3)[C@H]3COCC[C@@H]32)CC1 ZINC000287700477 552035864 /nfs/dbraw/zinc/03/58/64/552035864.db2.gz DZGQXKGOBBCEPO-NJYVYQBISA-N 1 0 352.478 2.363 20 30 FEEDRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC000288187132 552106465 /nfs/dbraw/zinc/10/64/65/552106465.db2.gz BFTPKKAHFRAIAP-SJORKVTESA-N 1 0 358.461 2.324 20 30 FEEDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)C(=O)Nc1cc(C#N)ccc1Cl ZINC000288327081 552133920 /nfs/dbraw/zinc/13/39/20/552133920.db2.gz XXYYXWDAGHHRCW-BLLLJJGKSA-N 1 0 360.845 2.235 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCCc3sccc32)CC1 ZINC000288572129 552177561 /nfs/dbraw/zinc/17/75/61/552177561.db2.gz UOCDKDRTXNCEJG-INIZCTEOSA-N 1 0 361.511 2.398 20 30 FEEDRO COCCOCC[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000288786142 552212521 /nfs/dbraw/zinc/21/25/21/552212521.db2.gz JRYUUPQYBFEMKB-UHFFFAOYSA-N 1 0 365.499 2.422 20 30 FEEDRO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CC[C@](CO)(Cc2ccc(F)cc2)C1 ZINC000288788708 552212938 /nfs/dbraw/zinc/21/29/38/552212938.db2.gz KZSABNRVRRSVDB-UZLBHIALSA-N 1 0 361.461 2.061 20 30 FEEDRO C=CCN1CC[C@H]([N@H+](C)C[C@@H](O)COc2cc(Cl)ccc2Cl)C1=O ZINC000499994851 561563580 /nfs/dbraw/zinc/56/35/80/561563580.db2.gz HTQLGYQRSVKSLA-HIFRSBDPSA-N 1 0 373.280 2.452 20 30 FEEDRO CCCN(CC[NH+]1CCCC1)C(=O)C(=O)Nc1ccccc1O[C@@H](C)C#N ZINC000288922396 552236550 /nfs/dbraw/zinc/23/65/50/552236550.db2.gz IDIYLMYTOXMODE-INIZCTEOSA-N 1 0 372.469 2.250 20 30 FEEDRO C[C@H](C(=O)N(C)CCC#N)N1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000289397300 552314405 /nfs/dbraw/zinc/31/44/05/552314405.db2.gz RPZYXBRLKOJBFR-MRXNPFEDSA-N 1 0 351.454 2.117 20 30 FEEDRO C=CCOc1ccc(C[N@@H+]2CCC[C@H]2C[C@@]2(C)NC(=O)NC2=O)cc1OC ZINC000289570271 552342619 /nfs/dbraw/zinc/34/26/19/552342619.db2.gz JMKNINBYVCHRIE-MGPUTAFESA-N 1 0 373.453 2.213 20 30 FEEDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1ccc(C#N)cc1Cl ZINC000289912056 552398647 /nfs/dbraw/zinc/39/86/47/552398647.db2.gz AMUGKXNLGXOFJM-GFCCVEGCSA-N 1 0 350.850 2.387 20 30 FEEDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1cc(C#N)ccc1OCC ZINC000289982979 552409720 /nfs/dbraw/zinc/40/97/20/552409720.db2.gz GQBVXHHNMATSRG-CQSZACIVSA-N 1 0 360.458 2.132 20 30 FEEDRO COc1ccc([C@@H]2CCN(CCS(=O)(=O)c3ccc(C#N)cn3)C2)cc1 ZINC000290174766 552438123 /nfs/dbraw/zinc/43/81/23/552438123.db2.gz DZSGZOZFLIFGNT-QGZVFWFLSA-N 1 0 371.462 2.225 20 30 FEEDRO C#C[C@H]([NH2+]Cc1ccc(OCC(=O)N2CCOCC2)c(OC)c1)C(C)(C)C ZINC000290253081 552448619 /nfs/dbraw/zinc/44/86/19/552448619.db2.gz VWVGYTCGVHBJNN-IBGZPJMESA-N 1 0 374.481 2.070 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N2CCCN3c4ccccc4C[C@@H]3C2)CC1 ZINC000290649507 552512944 /nfs/dbraw/zinc/51/29/44/552512944.db2.gz FHLQIDUGWZNJKW-LJQANCHMSA-N 1 0 354.498 2.483 20 30 FEEDRO Cn1c(-c2cccnc2)nnc1N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000290846179 552548514 /nfs/dbraw/zinc/54/85/14/552548514.db2.gz VZXLNVSZTWNNIQ-UHFFFAOYSA-N 1 0 373.464 2.461 20 30 FEEDRO C[C@@H]([NH2+][C@@H](C)C(=O)N(C)CCC#N)c1ccc(N2CCCNC2=O)cc1 ZINC000291195993 552598544 /nfs/dbraw/zinc/59/85/44/552598544.db2.gz JHRGFHDMWKUGRJ-CABCVRRESA-N 1 0 357.458 2.017 20 30 FEEDRO CC(C)N(CC(=O)Nc1c(C#N)cnn1-c1ccccc1)[C@H]1CCOC1 ZINC000291751701 552657923 /nfs/dbraw/zinc/65/79/23/552657923.db2.gz KPOQFDUWLFDJQK-KRWDZBQOSA-N 1 0 353.426 2.182 20 30 FEEDRO COc1ccc([C@H](O)C2CC[NH+]([C@H](C)C(=O)N(C)CCC#N)CC2)cc1 ZINC000291906976 552673732 /nfs/dbraw/zinc/67/37/32/552673732.db2.gz ROPXQEKRNXMBDM-BEFAXECRSA-N 1 0 359.470 2.201 20 30 FEEDRO CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)C1 ZINC000292158087 552699632 /nfs/dbraw/zinc/69/96/32/552699632.db2.gz KRSDFJQUNURNBE-BEFAXECRSA-N 1 0 360.433 2.145 20 30 FEEDRO C[C@H](CCNC(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1)[NH+]1CCCCC1 ZINC000292300992 552713782 /nfs/dbraw/zinc/71/37/82/552713782.db2.gz MYIBAXBTDVCEHX-SJLPKXTDSA-N 1 0 371.485 2.380 20 30 FEEDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)C1 ZINC000292601882 552742076 /nfs/dbraw/zinc/74/20/76/552742076.db2.gz NCYGXYVRMASBJM-MSOLQXFVSA-N 1 0 371.485 2.094 20 30 FEEDRO N#Cc1ccsc1NC(=O)C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000292960597 552775051 /nfs/dbraw/zinc/77/50/51/552775051.db2.gz AIKPRVUBQOTJSK-MRXNPFEDSA-N 1 0 368.462 2.339 20 30 FEEDRO C=CCC(F)(F)C(=O)NCc1ccccc1OCCN1CCOCC1 ZINC000293138106 552792390 /nfs/dbraw/zinc/79/23/90/552792390.db2.gz COAQJZGXAJHBLQ-UHFFFAOYSA-N 1 0 354.397 2.225 20 30 FEEDRO CC(=O)Nc1ccc(OC[C@H](O)C[N@@H+](CCOCCC#N)C(C)C)cc1 ZINC000293155744 552794319 /nfs/dbraw/zinc/79/43/19/552794319.db2.gz RDTIADJRCQDBDR-GOSISDBHSA-N 1 0 363.458 2.025 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)cc1F ZINC000293505423 552830632 /nfs/dbraw/zinc/83/06/32/552830632.db2.gz SATWOXMUSZBIIB-OAHLLOKOSA-N 1 0 351.447 2.336 20 30 FEEDRO C=CCC(C)(C)C[NH2+]C1CCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1 ZINC000293699025 552848251 /nfs/dbraw/zinc/84/82/51/552848251.db2.gz LXOQZYCRXJBSHB-UHFFFAOYSA-N 1 0 354.520 2.372 20 30 FEEDRO C=CCOc1ccc(C[N@@H+]2CCC[C@H](n3cc(CO)nn3)C2)cc1OC ZINC000293717548 552849950 /nfs/dbraw/zinc/84/99/50/552849950.db2.gz SXHIYANXBBRCRX-KRWDZBQOSA-N 1 0 358.442 2.181 20 30 FEEDRO C[C@@H]1CN(C(=O)CCC(=O)N(CCC#N)c2ccccc2)C[C@H](C)[N@H+]1C ZINC000294030099 552876608 /nfs/dbraw/zinc/87/66/08/552876608.db2.gz RKGIMDYURGYUNK-CALCHBBNSA-N 1 0 356.470 2.264 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2F)C1 ZINC000294028220 552876656 /nfs/dbraw/zinc/87/66/56/552876656.db2.gz RFUUEIGLUQNFEN-MRXNPFEDSA-N 1 0 374.460 2.141 20 30 FEEDRO C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1CC(=O)N[C@](C)(C#N)C1CC1 ZINC000501795508 561605513 /nfs/dbraw/zinc/60/55/13/561605513.db2.gz YTSQTZCBDKYMCH-CSODHUTKSA-N 1 0 354.498 2.390 20 30 FEEDRO CCO[C@@H]1C[C@H]([NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)C12CCCC2 ZINC000295158803 552964742 /nfs/dbraw/zinc/96/47/42/552964742.db2.gz GJGUQQNRVNXESX-JKSUJKDBSA-N 1 0 363.483 2.054 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)S(=O)(=O)CC(C)(C)CC#N ZINC000295274890 552980180 /nfs/dbraw/zinc/98/01/80/552980180.db2.gz ZRTNGXKTWBBAHZ-UHFFFAOYSA-N 1 0 362.499 2.192 20 30 FEEDRO C=C(C)Cn1c(C(=O)NC(C)C)nnc1N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC000295938878 553078290 /nfs/dbraw/zinc/07/82/90/553078290.db2.gz JFVSASWEHDOTCZ-MRXNPFEDSA-N 1 0 374.533 2.303 20 30 FEEDRO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCC(CCC(N)=O)CC1 ZINC000502554819 561620917 /nfs/dbraw/zinc/62/09/17/561620917.db2.gz SKHULNJROADJCM-INIZCTEOSA-N 1 0 356.470 2.299 20 30 FEEDRO C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2sc(C(C)(C)C)cc2C#N)C1 ZINC000296468085 553165188 /nfs/dbraw/zinc/16/51/88/553165188.db2.gz HGGSQOSIUVJDCS-LBPRGKRZSA-N 1 0 362.499 2.266 20 30 FEEDRO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)N2CC[C@@H](OC(=O)N(C)C)C2)cc1 ZINC000296590651 553183828 /nfs/dbraw/zinc/18/38/28/553183828.db2.gz FLSSKBDCISOUCX-SJLPKXTDSA-N 1 0 372.469 2.403 20 30 FEEDRO C[N@@H+]1CCN(CCNc2ncc(Br)cc2C#N)CC1(C)C ZINC000296721549 553202854 /nfs/dbraw/zinc/20/28/54/553202854.db2.gz HPJBWEJCPUGYHM-UHFFFAOYSA-N 1 0 352.280 2.154 20 30 FEEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000298200727 553397494 /nfs/dbraw/zinc/39/74/94/553397494.db2.gz GERDQXCXWFSRPL-LJQANCHMSA-N 1 0 370.497 2.097 20 30 FEEDRO CCN(CCC[NH+](CC)CC)C(=O)C(=O)N(C)Cc1ccc(C#N)cc1 ZINC000298552969 553439680 /nfs/dbraw/zinc/43/96/80/553439680.db2.gz DZQTZKJYZKNGON-UHFFFAOYSA-N 1 0 358.486 2.097 20 30 FEEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000298559061 553440362 /nfs/dbraw/zinc/44/03/62/553440362.db2.gz DKPYFOIWBGCIBB-KGLIPLIRSA-N 1 0 358.486 2.445 20 30 FEEDRO COC(=O)[C@@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)C1 ZINC000298803761 553475028 /nfs/dbraw/zinc/47/50/28/553475028.db2.gz OXZRCIOYFGQCRC-GFCCVEGCSA-N 1 0 361.467 2.322 20 30 FEEDRO C[C@@H](c1ccc(C#N)cc1)[N@H+](C)CCOc1ccc(S(N)(=O)=O)cc1 ZINC000299345509 553550836 /nfs/dbraw/zinc/55/08/36/553550836.db2.gz FSUOLJMRKGDUAE-AWEZNQCLSA-N 1 0 359.451 2.277 20 30 FEEDRO C#CCC[NH+]1CCN(CCC(=O)Nc2sc3c(c2C#N)CCC3)CC1 ZINC000299541392 553578294 /nfs/dbraw/zinc/57/82/94/553578294.db2.gz FLCUAMLODLOILE-UHFFFAOYSA-N 1 0 356.495 2.078 20 30 FEEDRO N#Cc1cccc(NC(=O)C2CC[NH+](CC(=O)N3CCCCC3)CC2)c1 ZINC000299663507 553599539 /nfs/dbraw/zinc/59/95/39/553599539.db2.gz SFAKXECLALOLKE-UHFFFAOYSA-N 1 0 354.454 2.221 20 30 FEEDRO Cc1ccc([C@@H](CNc2ccc(S(N)(=O)=O)cc2C#N)[NH+]2CCCC2)o1 ZINC000301407305 553649267 /nfs/dbraw/zinc/64/92/67/553649267.db2.gz MRVALXOJDXVSML-QGZVFWFLSA-N 1 0 374.466 2.356 20 30 FEEDRO CN(CCCN1CC[NH+](C)CC1)c1cc(C#N)c2cc([N+](=O)[O-])ccc2n1 ZINC000302711783 553727395 /nfs/dbraw/zinc/72/73/95/553727395.db2.gz ZPFUSBZRQJXUJL-UHFFFAOYSA-N 1 0 368.441 2.088 20 30 FEEDRO CC(C)(C)NC(=O)C[NH+]1CCC(CNc2c(C#N)cccc2C#N)CC1 ZINC000302878736 553739155 /nfs/dbraw/zinc/73/91/55/553739155.db2.gz HELWOMAFKDEASO-UHFFFAOYSA-N 1 0 353.470 2.469 20 30 FEEDRO N#Cc1ccccc1OC[C@@H](O)C[NH2+][C@H]1CCN(Cc2ccccc2)C1 ZINC000311975021 553755432 /nfs/dbraw/zinc/75/54/32/553755432.db2.gz NOSWNCXFNBVDIC-PMACEKPBSA-N 1 0 351.450 2.162 20 30 FEEDRO N#CC1(C(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)CCOCC1 ZINC000312071128 553756054 /nfs/dbraw/zinc/75/60/54/553756054.db2.gz NPEKDNGWUJPOOY-RTBURBONSA-N 1 0 353.466 2.287 20 30 FEEDRO CC(C)N1C[C@H](NC(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)CC1=O ZINC000328608625 553795634 /nfs/dbraw/zinc/79/56/34/553795634.db2.gz LZFGOSIBQRCBKS-WBVHZDCISA-N 1 0 350.507 2.296 20 30 FEEDRO COCC1(CNC(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CCC1 ZINC000328644936 553801340 /nfs/dbraw/zinc/80/13/40/553801340.db2.gz GSWQZMLCQSELCQ-SJORKVTESA-N 1 0 353.507 2.075 20 30 FEEDRO COCC[N@@H+]1CC[C@H](NC(=O)N2CC[C@@H](Oc3ccccc3Cl)C2)C1 ZINC000328650878 553802522 /nfs/dbraw/zinc/80/25/22/553802522.db2.gz BFLGLXRGMGADDO-LSDHHAIUSA-N 1 0 367.877 2.428 20 30 FEEDRO O=C(CNC(=O)C1CCCCC1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000328675673 553805645 /nfs/dbraw/zinc/80/56/45/553805645.db2.gz KVHGTYOSBFQMPS-MRXNPFEDSA-N 1 0 351.491 2.094 20 30 FEEDRO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)N1CCN(C2CC2)C(=O)C1 ZINC000328698249 553808778 /nfs/dbraw/zinc/80/87/78/553808778.db2.gz HMDOJTJXJUHPNG-GOSISDBHSA-N 1 0 356.470 2.044 20 30 FEEDRO CC(=O)NC1CCC(NC(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)CC1 ZINC000328729551 553813673 /nfs/dbraw/zinc/81/36/73/553813673.db2.gz WCCPWEPOIHOTMV-AOCRQIFASA-N 1 0 366.506 2.232 20 30 FEEDRO O=C(CCC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1)NC1CCCC1 ZINC000328755362 553816824 /nfs/dbraw/zinc/81/68/24/553816824.db2.gz FFTQANHCVCDQDK-INIZCTEOSA-N 1 0 351.491 2.237 20 30 FEEDRO C[C@@H]1C[C@@H](CCNC(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)CCO1 ZINC000328757702 553817525 /nfs/dbraw/zinc/81/75/25/553817525.db2.gz VGBCUZFKCCDERU-FGTMMUONSA-N 1 0 353.507 2.150 20 30 FEEDRO CC(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000328760825 553818209 /nfs/dbraw/zinc/81/82/09/553818209.db2.gz XNMKCBWXFIYEGF-SQNIBIBYSA-N 1 0 353.507 2.006 20 30 FEEDRO CN1CCO[C@@H]2CCN(C(=O)Nc3nc4c(s3)CCCCC4)C[C@@H]21 ZINC000328827529 553829059 /nfs/dbraw/zinc/82/90/59/553829059.db2.gz ILYNGEDTDVEDMY-UONOGXRCSA-N 1 0 350.488 2.362 20 30 FEEDRO O=C(N[C@@H]1CCCC12CCOCC2)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000328833344 553829711 /nfs/dbraw/zinc/82/97/11/553829711.db2.gz RTMCUAWBXVJKLV-FUHWJXTLSA-N 1 0 365.518 2.340 20 30 FEEDRO O=C(NCc1ccc(N2CCOCC2)nc1)N1CC[C@H](C2CCOCC2)C1 ZINC000328836432 553830002 /nfs/dbraw/zinc/83/00/02/553830002.db2.gz MRZMQCGTGJCUHD-SFHVURJKSA-N 1 0 374.485 2.081 20 30 FEEDRO CC1CC[NH+](C2CCC(NC(=O)N3CC[C@H](NC(N)=O)C3)CC2)CC1 ZINC000328936753 553848295 /nfs/dbraw/zinc/84/82/95/553848295.db2.gz QWLOCJYIKCTAHE-PCKAHOCUSA-N 1 0 351.495 2.100 20 30 FEEDRO Cn1ccnc1[C@H](NC(=O)N[C@H]1CCOC2(CCC2)C1)C1CCOCC1 ZINC000328978003 553857556 /nfs/dbraw/zinc/85/75/56/553857556.db2.gz DNRARJLTJVOBLF-JKSUJKDBSA-N 1 0 362.474 2.493 20 30 FEEDRO C[NH+]1CCC2(CCCN2C(=O)N[C@H]2CCN(Cc3ccccc3)C2=O)CC1 ZINC000329029412 553867971 /nfs/dbraw/zinc/86/79/71/553867971.db2.gz ANYLQQGOWOBOLP-SFHVURJKSA-N 1 0 370.497 2.262 20 30 FEEDRO C[NH+]1CCC2(CCCN2C(=O)Nc2cccc(Cn3cncn3)c2)CC1 ZINC000329056971 553872872 /nfs/dbraw/zinc/87/28/72/553872872.db2.gz IJKZHVXQJVFRAL-UHFFFAOYSA-N 1 0 354.458 2.432 20 30 FEEDRO CN1C(=O)C[C@@H](NC(=O)N2CCC[N@H+](C)CC2)[C@H]1c1ccc(Cl)cc1 ZINC000329096668 553879662 /nfs/dbraw/zinc/87/96/62/553879662.db2.gz YHXVZOSMJHVIPS-NVXWUHKLSA-N 1 0 364.877 2.163 20 30 FEEDRO C[C@H](CCNC(=O)N1CCOC[C@@H]1[C@@H]1CCC[C@H]1O)[NH+]1CCCCC1 ZINC000329099601 553879987 /nfs/dbraw/zinc/87/99/87/553879987.db2.gz ZDUSVLVNTKEDIT-XMTFNYHQSA-N 1 0 353.507 2.027 20 30 FEEDRO CO[C@@H]1CCC[C@@H]1[C@@H]1COCCN1C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000329101340 553880479 /nfs/dbraw/zinc/88/04/79/553880479.db2.gz ZSURUAQVZZQSDQ-HSFUPAIVSA-N 1 0 353.507 2.289 20 30 FEEDRO Cc1nnc(NC(=O)c2cccc(CN3CC[NH+](C)CC3)c2)n1C1CC1 ZINC000329105854 553881500 /nfs/dbraw/zinc/88/15/00/553881500.db2.gz DEYZTODUHKMAOT-UHFFFAOYSA-N 1 0 354.458 2.305 20 30 FEEDRO CC[C@@H]1CO[C@@H](C)CN1CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000329133532 553886422 /nfs/dbraw/zinc/88/64/22/553886422.db2.gz ZCVKFXSFKBVWKW-ZWKOTPCHSA-N 1 0 367.534 2.477 20 30 FEEDRO O=C(N[C@@H]1CCO[C@]2(CCOC2)C1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000329149642 553889553 /nfs/dbraw/zinc/88/95/53/553889553.db2.gz QUJXEVAGDYMXSD-ZIFCJYIRSA-N 1 0 351.491 2.189 20 30 FEEDRO CC(C)Cc1nc(C(=O)NC2CC[NH+]([C@H]3CCN(C)C3=O)CC2)cs1 ZINC000329172165 553895055 /nfs/dbraw/zinc/89/50/55/553895055.db2.gz KYIKNSYZQPRMDU-HNNXBMFYSA-N 1 0 364.515 2.341 20 30 FEEDRO CC(C)Cc1nc(C(=O)NC2CC[NH+]([C@@H]3CCN(C)C3=O)CC2)cs1 ZINC000329172170 553895206 /nfs/dbraw/zinc/89/52/06/553895206.db2.gz KYIKNSYZQPRMDU-OAHLLOKOSA-N 1 0 364.515 2.341 20 30 FEEDRO Cc1nc2ccc(C(=O)NC3CC[NH+]([C@H]4CCN(C)C4=O)CC3)cc2o1 ZINC000329177008 553896080 /nfs/dbraw/zinc/89/60/80/553896080.db2.gz MRKAWFNQUSUQJT-INIZCTEOSA-N 1 0 356.426 2.136 20 30 FEEDRO CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)[C@H](C)NC(=O)C2CCCC2)C1 ZINC000329197651 553900495 /nfs/dbraw/zinc/90/04/95/553900495.db2.gz UITUCXQUWDPILV-XIRDDKMYSA-N 1 0 351.491 2.233 20 30 FEEDRO CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H](C)NC(=O)C3CCCCC3)C2)CC1 ZINC000329198923 553900824 /nfs/dbraw/zinc/90/08/24/553900824.db2.gz WULWIMXHBXGNNP-SJLPKXTDSA-N 1 0 364.534 2.150 20 30 FEEDRO CCc1ccc(OCC(=O)NC2CC[NH+]([C@@H]3CCN(C)C3=O)CC2)cc1 ZINC000329204888 553901707 /nfs/dbraw/zinc/90/17/07/553901707.db2.gz XTEXCTDPYSKMCS-GOSISDBHSA-N 1 0 359.470 2.279 20 30 FEEDRO Cc1cc2c(cc1C)O[C@H](C(=O)NC1CC[NH+]([C@H]3CCN(C)C3=O)CC1)C2 ZINC000329211109 553903243 /nfs/dbraw/zinc/90/32/43/553903243.db2.gz ZWFIMDFDLADLON-HKUYNNGSSA-N 1 0 371.481 2.259 20 30 FEEDRO CCn1ccnc1[C@H]1OCC[C@@H]1NC(=O)N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000329231849 553907679 /nfs/dbraw/zinc/90/76/79/553907679.db2.gz KXEIGDNSCOSUQT-NCOADZHNSA-N 1 0 361.490 2.206 20 30 FEEDRO CC(=O)NC[C@@H]1CCn2ncc(C(=O)N3CC[C@H]([NH+]4CCCC4)[C@@H]3C)c2C1 ZINC000329235940 553908036 /nfs/dbraw/zinc/90/80/36/553908036.db2.gz NYCHKEDTZXVQDR-LESCRADOSA-N 1 0 373.501 2.121 20 30 FEEDRO Cc1nc([C@@H]2CN(C(=O)NC[C@]3([NH+](C)C)CCC[C@H](C)C3)CCO2)no1 ZINC000329264362 553913401 /nfs/dbraw/zinc/91/34/01/553913401.db2.gz BWFCPQMHKRFJIM-YEWWUXTCSA-N 1 0 365.478 2.176 20 30 FEEDRO CN(C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1)[C@@H]1CCC[C@H]1O ZINC000329281980 553917136 /nfs/dbraw/zinc/91/71/36/553917136.db2.gz MRPMNINWXOPDSC-IAGOWNOFSA-N 1 0 353.507 2.028 20 30 FEEDRO Cc1nccn1C[C@@H](C)CNC(=O)N1CCC(C(=O)N2CCCC2)CC1 ZINC000329299115 553920514 /nfs/dbraw/zinc/92/05/14/553920514.db2.gz URPVXBAISJIYLQ-HNNXBMFYSA-N 1 0 361.490 2.076 20 30 FEEDRO C[C@H](NC(=O)N[C@@H]1CCO[C@]2(CCOC2)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000329345670 553929437 /nfs/dbraw/zinc/92/94/37/553929437.db2.gz RATSTKRAPYLTMP-TVKQPGBESA-N 1 0 365.518 2.481 20 30 FEEDRO C[C@H](NC(=O)NCC1([NH+]2CCOCC2)CCCCC1)[C@@H]1CCCOC1 ZINC000329353192 553930581 /nfs/dbraw/zinc/93/05/81/553930581.db2.gz UXNAQBZJCGILKC-DLBZAZTESA-N 1 0 353.507 2.340 20 30 FEEDRO O=C(Nc1cccc2c1OCCC2=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000329390779 553937051 /nfs/dbraw/zinc/93/70/51/553937051.db2.gz SKADDFJFXHCZEX-SJLPKXTDSA-N 1 0 373.453 2.356 20 30 FEEDRO CC(C)[C@H]1CN(C(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2ccnn2C)CCO1 ZINC000329409686 553941259 /nfs/dbraw/zinc/94/12/59/553941259.db2.gz BPBVJMVCGBYRRM-CGTJXYLNSA-N 1 0 363.506 2.074 20 30 FEEDRO N#Cc1cccc(F)c1CC(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000506639110 561704606 /nfs/dbraw/zinc/70/46/06/561704606.db2.gz HMRURNHFWXEKEQ-UHFFFAOYSA-N 1 0 352.413 2.416 20 30 FEEDRO C[C@H](NC(=O)C[N@@H+]1CCC[C@H]1C1CCOCC1)C(=O)N1CCCCC1 ZINC000329449146 553949273 /nfs/dbraw/zinc/94/92/73/553949273.db2.gz MMSRTAGRTBRYBA-RDJZCZTQSA-N 1 0 351.491 2.235 20 30 FEEDRO Cc1nnc2n1C[C@@H](C[NH+]=C([O-])N1CCC[N@@H+](C3CCCC3)CC1)CC2 ZINC000329464901 553951942 /nfs/dbraw/zinc/95/19/42/553951942.db2.gz UUNWNUDFFRVTMR-MRXNPFEDSA-N 1 0 360.506 2.013 20 30 FEEDRO CC(C)(CNC(=O)N1C[C@@H]2CC[C@H](O)[C@@H]2C1)[N@@H+]1CCc2ccccc2C1 ZINC000329493862 553957381 /nfs/dbraw/zinc/95/73/81/553957381.db2.gz CYGZUVXYFXHBAU-OTWHNJEPSA-N 1 0 357.498 2.440 20 30 FEEDRO O=C(NC[C@@H]1CCCn2ccnc21)N1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000329518699 553961254 /nfs/dbraw/zinc/96/12/54/553961254.db2.gz FBJWUAOHLRATKO-WFASDCNBSA-N 1 0 360.380 2.454 20 30 FEEDRO CCO[C@@H]1C[C@H](NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C12CCOCC2 ZINC000329541127 553964577 /nfs/dbraw/zinc/96/45/77/553964577.db2.gz NFGQDEJLARZYFQ-VQTPCSAVSA-N 1 0 365.518 2.432 20 30 FEEDRO C[NH+](C)[C@H](CNC(=O)N1CCCN(c2cccnn2)CC1)c1ccsc1 ZINC000329544457 553964782 /nfs/dbraw/zinc/96/47/82/553964782.db2.gz YTOAXXUOFFBAJD-MRXNPFEDSA-N 1 0 374.514 2.267 20 30 FEEDRO COC(=O)c1cc(OC)ccc1NC(=O)N(CCC#N)CCC[NH+](C)C ZINC000506869725 561710610 /nfs/dbraw/zinc/71/06/10/561710610.db2.gz YEMWCGBLPODYNB-UHFFFAOYSA-N 1 0 362.430 2.181 20 30 FEEDRO CC1(C)CN(C(=O)NCC2([NH+]3CCCC3)CCOCC2)[C@@H]1[C@H]1CCCO1 ZINC000329604154 553975670 /nfs/dbraw/zinc/97/56/70/553975670.db2.gz LRCJDTFJNUZPRS-IAGOWNOFSA-N 1 0 365.518 2.435 20 30 FEEDRO C[C@@H]1C[C@H](CCNC(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CCO1 ZINC000329627885 553979026 /nfs/dbraw/zinc/97/90/26/553979026.db2.gz HCCIVAKWSSRMJD-PSBWJHGTSA-N 1 0 367.534 2.463 20 30 FEEDRO Cc1nnc2n1C[C@H](CNC(=O)N1CCCC[C@@H]([NH+]3CCCC3)C1)CC2 ZINC000329657546 553983556 /nfs/dbraw/zinc/98/35/56/553983556.db2.gz NGKNJCVYSKKLBQ-DLBZAZTESA-N 1 0 360.506 2.013 20 30 FEEDRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCC(=O)N(C)C1CCCCC1 ZINC000329691522 553990124 /nfs/dbraw/zinc/99/01/24/553990124.db2.gz DMMSKQLHAUWBOX-NVXWUHKLSA-N 1 0 350.507 2.250 20 30 FEEDRO C[C@@H]1OCC[C@]1(C)NC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000329751275 553999677 /nfs/dbraw/zinc/99/96/77/553999677.db2.gz ISYXXIASQIPFSN-WMZOPIPTSA-N 1 0 353.507 2.340 20 30 FEEDRO C[C@H](CCNC(=O)N[C@H]1CCOC2(CCOCC2)C1)[NH+]1CCCCC1 ZINC000329756732 554000687 /nfs/dbraw/zinc/00/06/87/554000687.db2.gz MLYFSSIBKJTPIX-SJORKVTESA-N 1 0 353.507 2.483 20 30 FEEDRO CC[C@@H]1CN(C(=O)NCC[C@H](C)[NH+]2CCCCC2)C[C@@H](C)S1(=O)=O ZINC000329776821 554003883 /nfs/dbraw/zinc/00/38/83/554003883.db2.gz ONLBYYDFILDYPP-ARFHVFGLSA-N 1 0 359.536 2.062 20 30 FEEDRO Cc1ccc(N2CCC[C@H](NC(=O)N(C)[C@@H](C)C3CC[NH+](C)CC3)C2)nn1 ZINC000329781561 554004886 /nfs/dbraw/zinc/00/48/86/554004886.db2.gz NIDKGYAZZYOWPR-WMZOPIPTSA-N 1 0 374.533 2.330 20 30 FEEDRO C[NH+]1CCC(CCNC(=O)N2CCS(=O)(=O)C3(CCCCC3)C2)CC1 ZINC000329784335 554005459 /nfs/dbraw/zinc/00/54/59/554005459.db2.gz VXUNUHKMEGHBGO-UHFFFAOYSA-N 1 0 371.547 2.066 20 30 FEEDRO CC(=O)N1CCC(NC(=O)CN(C)Cc2c(C)nc3sccn23)CC1 ZINC000329805357 554009267 /nfs/dbraw/zinc/00/92/67/554009267.db2.gz KQYWQEZOQRIDGF-UHFFFAOYSA-N 1 0 363.487 2.103 20 30 FEEDRO CC1CCN(C(=O)C2CCN(C(=O)N[C@@H]3CC[N@H+](C)[C@H](C)C3)CC2)CC1 ZINC000329818491 554011611 /nfs/dbraw/zinc/01/16/11/554011611.db2.gz XEXZIRSFKJNBHF-SJLPKXTDSA-N 1 0 364.534 2.354 20 30 FEEDRO CCN1C(=O)CC[C@@H](C(=O)N[C@H]2CCC[N@H+](CC)C2)[C@@H]1c1cnn(C)c1 ZINC000329873082 554023062 /nfs/dbraw/zinc/02/30/62/554023062.db2.gz DMPKYIDBFAQTNC-JZXOWHBKSA-N 1 0 361.490 2.161 20 30 FEEDRO CC(C)c1nnc([C@H]2CN(C(=O)NC3CC[NH+](C4CC4)CC3)CCO2)o1 ZINC000329894744 554026045 /nfs/dbraw/zinc/02/60/45/554026045.db2.gz BPAFIJHULRFTRU-OAHLLOKOSA-N 1 0 363.462 2.107 20 30 FEEDRO C[C@@H]1OCC[C@@]12CN(C(=O)NCC1([NH+](C)C)CCCCCC1)CCO2 ZINC000329895426 554026051 /nfs/dbraw/zinc/02/60/51/554026051.db2.gz BWIQRQDWVLEIIE-QFBILLFUSA-N 1 0 353.507 2.435 20 30 FEEDRO CCC[NH+]1CCC(NC(=O)N2CCO[C@@H](c3nnc(C(C)C)o3)C2)CC1 ZINC000329899587 554027523 /nfs/dbraw/zinc/02/75/23/554027523.db2.gz FOYVNHPQLDFWJY-OAHLLOKOSA-N 1 0 365.478 2.355 20 30 FEEDRO O=C(N[C@@H]1CCN(Cc2ccccc2)C1=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000329962939 554039926 /nfs/dbraw/zinc/03/99/26/554039926.db2.gz SJBPWJXLGABENS-RTBURBONSA-N 1 0 370.497 2.119 20 30 FEEDRO Cc1nn(C)c(-n2ccnc2C)c1C(=O)N[C@H](C)c1nnc2n1CCCC2 ZINC000330021960 554050656 /nfs/dbraw/zinc/05/06/56/554050656.db2.gz YTIOMWGRZYWIEM-GFCCVEGCSA-N 1 0 368.445 2.216 20 30 FEEDRO CCN(CC)C(=O)C1CCN(C(=O)NC2CC([NH+]3CCCCC3)C2)CC1 ZINC000330027022 554051413 /nfs/dbraw/zinc/05/14/13/554051413.db2.gz MKBKJHKKBMGDOB-UHFFFAOYSA-N 1 0 364.534 2.498 20 30 FEEDRO Cn1cc([C@@H]2NC(=O)CC[C@H]2NC(=O)N2CCCC23CC[NH+](C)CC3)cn1 ZINC000330053954 554056096 /nfs/dbraw/zinc/05/60/96/554056096.db2.gz REVMORKYBZPKEU-WBVHZDCISA-N 1 0 374.489 2.054 20 30 FEEDRO CO[C@@H](C)c1noc(CN(C)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)n1 ZINC000330078676 554060641 /nfs/dbraw/zinc/06/06/41/554060641.db2.gz FSEFMHPOCQOGNQ-FUDCBSFHSA-N 1 0 351.451 2.138 20 30 FEEDRO C[C@@H]1N(CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)CCOC1(C)C ZINC000330094987 554063330 /nfs/dbraw/zinc/06/33/30/554063330.db2.gz URZDIWBBLWFKOG-KRWDZBQOSA-N 1 0 367.534 2.477 20 30 FEEDRO Cc1ccc(N2CCC[C@H](NC(=O)N3CC[C@@H]4[C@H](CCC[N@H+]4C)C3)C2)nn1 ZINC000330113343 554066866 /nfs/dbraw/zinc/06/68/66/554066866.db2.gz CTEUQLHIIFBKDH-FGTMMUONSA-N 1 0 372.517 2.084 20 30 FEEDRO CC(=O)N1CCN(C(=O)NC2CC[NH+](C3CCCCC3)CC2)[C@@H](C)C1 ZINC000330114330 554067470 /nfs/dbraw/zinc/06/74/70/554067470.db2.gz STOPAGJCLIVQDF-HNNXBMFYSA-N 1 0 350.507 2.250 20 30 FEEDRO CCn1cc([C@@H]2NC(=O)CC[C@H]2NC(=O)N2CCC[C@@H]([NH+](C)C)C2)cn1 ZINC000330126568 554069404 /nfs/dbraw/zinc/06/94/04/554069404.db2.gz CBEBLJPKYNLDCB-INMHGKMJSA-N 1 0 362.478 2.003 20 30 FEEDRO COc1ccc2c(c1)CN(C(=O)NC1CC[NH+]([C@@H]3CCC[C@H]3O)CC1)CC2 ZINC000330212244 554086130 /nfs/dbraw/zinc/08/61/30/554086130.db2.gz DNFQSHGYVRFTPW-WOJBJXKFSA-N 1 0 373.497 2.345 20 30 FEEDRO CCO[C@@H]1C[C@H](NC(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C12CCC2 ZINC000330212256 554086237 /nfs/dbraw/zinc/08/62/37/554086237.db2.gz DNPHWAPCQTUHFS-VSZNYVQBSA-N 1 0 365.518 2.216 20 30 FEEDRO C[C@@H]1C[NH+](CCC2CCN(CC(=O)NC(=O)NC3CC3)CC2)C[C@@H](C)O1 ZINC000330213155 554086413 /nfs/dbraw/zinc/08/64/13/554086413.db2.gz FCWMZOYWQWBPTM-HUUCEWRRSA-N 1 0 366.506 2.231 20 30 FEEDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000330261780 554095195 /nfs/dbraw/zinc/09/51/95/554095195.db2.gz PIXASAAHBKHGHG-SPUZQDLCSA-N 1 0 363.502 2.043 20 30 FEEDRO CN1CCC([NH+]2CCC(NC(=O)c3csc(NC4CC4)n3)CC2)CC1 ZINC000330268551 554096556 /nfs/dbraw/zinc/09/65/56/554096556.db2.gz RGBOYPVLWXPYOZ-UHFFFAOYSA-N 1 0 363.531 2.581 20 30 FEEDRO O=C(NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)N1CCOC2(CCCCC2)C1 ZINC000330322229 554105073 /nfs/dbraw/zinc/10/50/73/554105073.db2.gz SKOOUQJIXTXMBL-QZTJIDSGSA-N 1 0 365.518 2.313 20 30 FEEDRO CCn1cc([C@H]2OCC[C@@H]2NC(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)cn1 ZINC000330333533 554106942 /nfs/dbraw/zinc/10/69/42/554106942.db2.gz PVKMXTXNZVPDKT-BPQIPLTHSA-N 1 0 363.506 2.357 20 30 FEEDRO CCN(C[C@@H](C)C#N)S(=O)(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000330382925 554113834 /nfs/dbraw/zinc/11/38/34/554113834.db2.gz JHCPPJYNCBEMDZ-RDJZCZTQSA-N 1 0 356.536 2.099 20 30 FEEDRO C=CCN1C(=O)c2ccc(C(=O)NC3CC[NH+](C(C)C)CC3)cc2C1=O ZINC000507901601 561745191 /nfs/dbraw/zinc/74/51/91/561745191.db2.gz KBJLSEZHQVMXOR-UHFFFAOYSA-N 1 0 355.438 2.071 20 30 FEEDRO C[C@H](CC[NH+](C)C)NC(=O)N1CCN(C(=O)CC2CCCCC2)CC1 ZINC000330424859 554120362 /nfs/dbraw/zinc/12/03/62/554120362.db2.gz FUGNNJNUMWECIW-MRXNPFEDSA-N 1 0 352.523 2.355 20 30 FEEDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCC[C@@H](CNC(N)=O)C1 ZINC000330480592 554126660 /nfs/dbraw/zinc/12/66/60/554126660.db2.gz NWEAXDLCTJDYDS-FZKCQIBNSA-N 1 0 353.511 2.061 20 30 FEEDRO C[C@@H]1[C@H](C)[S@](=O)CCN1C(=O)NCc1ccc(C[NH+](C)C)c(F)c1 ZINC000330509034 554131674 /nfs/dbraw/zinc/13/16/74/554131674.db2.gz CKQRHDMXGSRFNL-RSPPDBIESA-N 1 0 355.479 2.143 20 30 FEEDRO CC(=O)Nc1ccc(NC(=O)N2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)c(Cl)c1 ZINC000330553944 554137419 /nfs/dbraw/zinc/13/74/19/554137419.db2.gz USKIQFXMJHQPED-RYUDHWBXSA-N 1 0 368.865 2.231 20 30 FEEDRO CC(C)CNC(=O)N1CCC[C@H](C(=O)NCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC000330911903 554187095 /nfs/dbraw/zinc/18/70/95/554187095.db2.gz QQCQLOUUODNBOO-IRXDYDNUSA-N 1 0 352.523 2.259 20 30 FEEDRO Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)N1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000330977799 554196101 /nfs/dbraw/zinc/19/61/01/554196101.db2.gz IBAOAQLDGQYVNK-KKUMJFAQSA-N 1 0 365.522 2.308 20 30 FEEDRO CC(=O)Nc1cc(C(=O)NC[C@H]2C[N@@H+](C)CCN2C)cc(C(F)(F)F)c1 ZINC000330995622 554199235 /nfs/dbraw/zinc/19/92/35/554199235.db2.gz UKNWXFUUIGBUGP-HNNXBMFYSA-N 1 0 372.391 2.214 20 30 FEEDRO CC(C)COc1ccc(NC(=O)N2CC[N@H+](C[C@H](C)O)C[C@H]2C)cn1 ZINC000331202915 554230144 /nfs/dbraw/zinc/23/01/44/554230144.db2.gz XRJSCKFAKKURJZ-CABCVRRESA-N 1 0 350.463 2.049 20 30 FEEDRO C=CCn1c(C(=O)NC(C)C)nnc1N1CC[NH+](CC2CCCCC2)CC1 ZINC000508798326 561773155 /nfs/dbraw/zinc/77/31/55/561773155.db2.gz RYRKTNNGQCVGGV-UHFFFAOYSA-N 1 0 374.533 2.305 20 30 FEEDRO CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCN(c2nc(C)ccc2C#N)C1 ZINC000331406318 554259266 /nfs/dbraw/zinc/25/92/66/554259266.db2.gz FJJRPFGNSZYPRB-MSOLQXFVSA-N 1 0 355.486 2.079 20 30 FEEDRO N#Cc1cccc(NCC(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)c1 ZINC000509401210 561797929 /nfs/dbraw/zinc/79/79/29/561797929.db2.gz DYQWJJQPOFRITD-UHFFFAOYSA-N 1 0 370.497 2.321 20 30 FEEDRO C[C@@H]1C[N@@H+](CC2CCN(C(=O)CNc3ccc(C#N)cc3)CC2)C[C@H](C)O1 ZINC000331925740 554347557 /nfs/dbraw/zinc/34/75/57/554347557.db2.gz DCMKFOHLZIDKFG-CALCHBBNSA-N 1 0 370.497 2.318 20 30 FEEDRO C[C@H](CC#N)N(C)S(=O)(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000509453482 561800503 /nfs/dbraw/zinc/80/05/03/561800503.db2.gz YMWQOMXYAUQJHZ-MRXNPFEDSA-N 1 0 356.536 2.244 20 30 FEEDRO CC(C)(C)[C@@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)N1CCO[C@H](C#N)C1 ZINC000331979110 554356419 /nfs/dbraw/zinc/35/64/19/554356419.db2.gz FBWJRKWBXWEQRK-RTBURBONSA-N 1 0 370.497 2.393 20 30 FEEDRO C[C@H]([NH2+][C@@H]1CCC(=O)N(C)[C@H]1c1ccnn1C)c1ccc(C#N)cc1F ZINC000332057760 554371212 /nfs/dbraw/zinc/37/12/12/554371212.db2.gz OSXYZKUJZLUMGE-JOKNJTHLSA-N 1 0 355.417 2.444 20 30 FEEDRO C[C@@H]1CN(C(=O)CCC(=O)N(CCC#N)c2ccccc2)[C@@H](C)C[N@@H+]1C ZINC000509657105 561809504 /nfs/dbraw/zinc/80/95/04/561809504.db2.gz IJFSCRHJDIJESI-SJORKVTESA-N 1 0 356.470 2.264 20 30 FEEDRO C[NH+](C)C[C@H](NC(=O)C(=O)Nc1ccc(C#N)cc1)c1ccc(F)cc1 ZINC000510011282 561821793 /nfs/dbraw/zinc/82/17/93/561821793.db2.gz BPVDAQNRQRUVGV-KRWDZBQOSA-N 1 0 354.385 2.055 20 30 FEEDRO C=CC[C@H]1N(C(=O)C(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)CCCC1(C)C ZINC000332318366 554423555 /nfs/dbraw/zinc/42/35/55/554423555.db2.gz PWEFQKFYFXGGPP-ZWKOTPCHSA-N 1 0 361.530 2.428 20 30 FEEDRO CC(C)[C@@H]1CCc2c(sc(NC(=O)C(=O)N3CCC([NH3+])CC3)c2C#N)C1 ZINC000332383026 554435860 /nfs/dbraw/zinc/43/58/60/554435860.db2.gz VMVBNWMUJJRXCB-GFCCVEGCSA-N 1 0 374.510 2.269 20 30 FEEDRO N#Cc1ccc(N2CCC[C@@H](NC(=O)N[C@@H]3CC[N@@H+](C4CC4)C3)C2)c(F)c1 ZINC000332839534 554527852 /nfs/dbraw/zinc/52/78/52/554527852.db2.gz PTOYSHXUCVRZAK-HZPDHXFCSA-N 1 0 371.460 2.202 20 30 FEEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)N[C@@H]3CC34CCOCC4)CC2)cc1 ZINC000333189608 554586475 /nfs/dbraw/zinc/58/64/75/554586475.db2.gz NTZRVUZKZXJBCI-LJQANCHMSA-N 1 0 368.481 2.345 20 30 FEEDRO COc1ccc(C#N)cc1NC(=O)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000333199527 554587801 /nfs/dbraw/zinc/58/78/01/554587801.db2.gz XGJXBZBIKVNBTK-MAUKXSAKSA-N 1 0 358.442 2.317 20 30 FEEDRO C[C@@H]1CN(C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)CC[C@@H]1[NH3+] ZINC000333724265 554636986 /nfs/dbraw/zinc/63/69/86/554636986.db2.gz GYVGWJASITVIEE-MFNRNEDNSA-N 1 0 357.458 2.022 20 30 FEEDRO C[N@@H+]1CCO[C@@H]2CN(c3nc4c(c(C#N)c3C#N)CCCCCC4)C[C@@H]21 ZINC000334135644 554682044 /nfs/dbraw/zinc/68/20/44/554682044.db2.gz YDNHNFFCMYFFIX-RBUKOAKNSA-N 1 0 351.454 2.003 20 30 FEEDRO N#C[C@H]1CCC[C@@H]([NH2+]CCNS(=O)(=O)c2ccc(F)cc2Cl)C1 ZINC000511033411 561854375 /nfs/dbraw/zinc/85/43/75/561854375.db2.gz UNUOIQGHQGXPAR-WCQYABFASA-N 1 0 359.854 2.429 20 30 FEEDRO C=CCOC[C@@H]1NC(=O)N([C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)C1=O ZINC000348582655 554689846 /nfs/dbraw/zinc/68/98/46/554689846.db2.gz FIMBHIGQDCUEJD-NJAFHUGGSA-N 1 0 357.454 2.020 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CN1C(=O)N[C@@H](Cc2ccccn2)C1=O)C(C)C ZINC000349235423 554722443 /nfs/dbraw/zinc/72/24/43/554722443.db2.gz DXQFDRDWEYVWCM-ROUUACIJSA-N 1 0 356.470 2.243 20 30 FEEDRO C=CCNC(=O)C[NH+]1CCC([C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000359996849 554858844 /nfs/dbraw/zinc/85/88/44/554858844.db2.gz SCONZBJJOQNABN-INIZCTEOSA-N 1 0 351.491 2.400 20 30 FEEDRO C[C@H](C(=O)N(C)CCC#N)[NH+]1CCC([C@H]2c3ccccc3NC2=O)CC1 ZINC000360186523 554866088 /nfs/dbraw/zinc/86/60/88/554866088.db2.gz FSKVPCVZNRUDLE-KDOFPFPSSA-N 1 0 354.454 2.195 20 30 FEEDRO N#CC[C@@H]1C[C@H]2[C@@H](CCC[C@H]2[NH2+]C[C@H](O)CN2CCc3ccccc3C2)O1 ZINC000360790862 554889592 /nfs/dbraw/zinc/88/95/92/554889592.db2.gz CIYABQREDCZLMU-ZSYZGHEHSA-N 1 0 369.509 2.235 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)[C@@H](Cc2ccccc2)N2CCCOC2=O)CC1 ZINC000360976297 554898418 /nfs/dbraw/zinc/89/84/18/554898418.db2.gz FQOKUCYZYDOJTD-LJQANCHMSA-N 1 0 371.481 2.207 20 30 FEEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000361285611 554914819 /nfs/dbraw/zinc/91/48/19/554914819.db2.gz AQMGDKMMPNFDOT-ZWKOTPCHSA-N 1 0 374.441 2.156 20 30 FEEDRO N#Cc1ccccc1N1CCC[C@H](NC(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000361525342 554923737 /nfs/dbraw/zinc/92/37/37/554923737.db2.gz IRQJLAPVQBCLAK-AEFFLSMTSA-N 1 0 367.497 2.311 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)NC2CCN(Cc3cscn3)CC2)CC1 ZINC000361553651 554924788 /nfs/dbraw/zinc/92/47/88/554924788.db2.gz AUXNTGVFISNPOV-UHFFFAOYSA-N 1 0 363.531 2.057 20 30 FEEDRO Cc1c(C#N)cccc1NC(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000362688144 554980920 /nfs/dbraw/zinc/98/09/20/554980920.db2.gz SKARTFMBIZTTSA-BEFAXECRSA-N 1 0 355.486 2.356 20 30 FEEDRO C=CCNC(=O)c1ccc(NC(=O)N2CCC[N@@H+](CCCOC)CC2)cc1 ZINC000362934047 555000386 /nfs/dbraw/zinc/00/03/86/555000386.db2.gz WNFQGQYCBONYCD-UHFFFAOYSA-N 1 0 374.485 2.179 20 30 FEEDRO Cc1cccc(N2N=C(C(=O)N(CCC#N)CCC[NH+](C)C)CCC2=O)c1 ZINC000362974319 555004377 /nfs/dbraw/zinc/00/43/77/555004377.db2.gz VBIMNSIZGAXWJI-UHFFFAOYSA-N 1 0 369.469 2.172 20 30 FEEDRO C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)CC(=O)NCc1cccc(C#N)c1 ZINC000362997890 555006979 /nfs/dbraw/zinc/00/69/79/555006979.db2.gz PIHIIXKDVFYIBV-MRXNPFEDSA-N 1 0 374.448 2.448 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)NCc2cn(-c3ccc(F)cc3)nc2C)CC1 ZINC000363209252 555054416 /nfs/dbraw/zinc/05/44/16/555054416.db2.gz MEEIMKCARAMNBA-UHFFFAOYSA-N 1 0 354.429 2.281 20 30 FEEDRO N#Cc1ccc(CNC(=O)CN2Cc3ccccc3[C@H](n3cccn3)C2)cc1 ZINC000363229726 555059438 /nfs/dbraw/zinc/05/94/38/555059438.db2.gz HWNNSMMVLHHFMR-OAQYLSRUSA-N 1 0 371.444 2.476 20 30 FEEDRO Cc1cc(N2CCC([N@@H+](C)CC(=O)N[C@](C)(C#N)C(C)C)CC2)nc(C)n1 ZINC000363349744 555083538 /nfs/dbraw/zinc/08/35/38/555083538.db2.gz RNYKAGBYCKXEME-HXUWFJFHSA-N 1 0 372.517 2.049 20 30 FEEDRO Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N[C@@H]3CCC[C@@H]([NH+](C)C)C3)C2)n1 ZINC000363358391 555085029 /nfs/dbraw/zinc/08/50/29/555085029.db2.gz FDXLMLAQVYTMFR-IPMKNSEASA-N 1 0 369.513 2.467 20 30 FEEDRO COc1ccc(C#N)cc1C[NH+]1CCC(CC(=O)N2CCOCC2)CC1 ZINC000363518605 555125872 /nfs/dbraw/zinc/12/58/72/555125872.db2.gz YHULPNUTUWHREY-UHFFFAOYSA-N 1 0 357.454 2.028 20 30 FEEDRO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCCC[C@H]1CN1CCCC1=O ZINC000363527859 555128901 /nfs/dbraw/zinc/12/89/01/555128901.db2.gz YBSBUJYXCASVSA-HNNXBMFYSA-N 1 0 360.483 2.425 20 30 FEEDRO CCC[NH+]1CCC(N2CCN(C(=O)c3ccc(/C=N/OC)cc3)CC2)CC1 ZINC000363529751 555129755 /nfs/dbraw/zinc/12/97/55/555129755.db2.gz OTCNOOKKWIHEIL-OQKWZONESA-N 1 0 372.513 2.299 20 30 FEEDRO C[C@H](N[C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@@H]1C)C(=O)Nc1cccc(C#N)c1 ZINC000363702512 555167727 /nfs/dbraw/zinc/16/77/27/555167727.db2.gz BZIPAPZAIGFVGD-CPLUKWAASA-N 1 0 370.497 2.364 20 30 FEEDRO CCCC[C@H](ON=C(C)C)C(=O)N1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000363884067 555206414 /nfs/dbraw/zinc/20/64/14/555206414.db2.gz FJMYIHCFDMAULO-MSOLQXFVSA-N 1 0 352.523 2.196 20 30 FEEDRO COC(=O)[C@H]1C[C@H]([NH2+][C@@H]2CCC[C@H](C#N)C2)CN1C(=O)OC(C)(C)C ZINC000364030208 555236386 /nfs/dbraw/zinc/23/63/86/555236386.db2.gz JQHHLPOPEXSVAL-LJISPDSOSA-N 1 0 351.447 2.209 20 30 FEEDRO CCN(C[C@H](C)C#N)C(=O)CN1CCC[C@@H]1c1ccc(CNC(C)=O)o1 ZINC000364079081 555245973 /nfs/dbraw/zinc/24/59/73/555245973.db2.gz JJPPRLULXAFQQI-RHSMWYFYSA-N 1 0 360.458 2.061 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)[C@@H]2CC(=O)N(c3cc(F)cc(F)c3)C2)CC1 ZINC000364193045 555267099 /nfs/dbraw/zinc/26/70/99/555267099.db2.gz VGIZNSQQKLGPHU-CYBMUJFWSA-N 1 0 363.408 2.084 20 30 FEEDRO C=CCN(C(=O)N[C@H](C)C[S@](C)=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000364277637 555283305 /nfs/dbraw/zinc/28/33/05/555283305.db2.gz CZKCPUWLPNIJAC-UAYVVIHISA-N 1 0 363.527 2.226 20 30 FEEDRO CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)[C@](C)(C#N)CC)CC1 ZINC000512333787 561900899 /nfs/dbraw/zinc/90/08/99/561900899.db2.gz JWUOBTWYGIGGOL-IBGZPJMESA-N 1 0 350.507 2.013 20 30 FEEDRO N#Cc1ccc(CN2CCCN(C(=O)c3ccc([N+](=O)[O-])cn3)CC2)cc1 ZINC000364399256 555306418 /nfs/dbraw/zinc/30/64/18/555306418.db2.gz HUCGCYWJARNOAF-UHFFFAOYSA-N 1 0 365.393 2.210 20 30 FEEDRO C=CCc1ccccc1OC[C@H](O)CN1C[C@@H](CC)[S@@](=O)[C@@H](C)C1 ZINC000512438161 561904840 /nfs/dbraw/zinc/90/48/40/561904840.db2.gz APJMYLMBKHSUPD-MDXXILDGSA-N 1 0 351.512 2.386 20 30 FEEDRO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCC[C@H](C(=O)N2CCCCCC2)C1 ZINC000364626670 555356485 /nfs/dbraw/zinc/35/64/85/555356485.db2.gz LFMARGLWGLVIBB-MSOLQXFVSA-N 1 0 362.518 2.109 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCOC[C@@H]2c2c(C)n[nH]c2C)CC1 ZINC000364697535 555377523 /nfs/dbraw/zinc/37/75/23/555377523.db2.gz ONIBZZCYIVBXDV-QGZVFWFLSA-N 1 0 361.490 2.150 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCOC[C@H]2c2c(C)n[nH]c2C)CC1 ZINC000364697534 555377549 /nfs/dbraw/zinc/37/75/49/555377549.db2.gz ONIBZZCYIVBXDV-KRWDZBQOSA-N 1 0 361.490 2.150 20 30 FEEDRO Cc1cccc(NC(=O)C(=O)N2CCC([NH2+]C3CCCC3)CC2)c1C#N ZINC000364784646 555401938 /nfs/dbraw/zinc/40/19/38/555401938.db2.gz AQKKRKGFDYQDJP-UHFFFAOYSA-N 1 0 354.454 2.328 20 30 FEEDRO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCC[C@]2(CNC(=O)O2)C1 ZINC000364794740 555405290 /nfs/dbraw/zinc/40/52/90/555405290.db2.gz WYBNFFCGYYOAHO-GTNSWQLSSA-N 1 0 362.817 2.113 20 30 FEEDRO C=CCN(CC=C)C(=O)C(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000512745853 561914031 /nfs/dbraw/zinc/91/40/31/561914031.db2.gz XBDAJIPYKHBOPL-NVXWUHKLSA-N 1 0 361.511 2.448 20 30 FEEDRO N#Cc1ccccc1Cn1cccc1CN1CCC[C@]2(CNC(=O)O2)C1 ZINC000364883814 555424566 /nfs/dbraw/zinc/42/45/66/555424566.db2.gz CFOILNAWLHSEDT-FQEVSTJZSA-N 1 0 350.422 2.482 20 30 FEEDRO CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@@H]1CCC(=O)N1Cc1cccc(C#N)c1 ZINC000365147491 555495555 /nfs/dbraw/zinc/49/55/55/555495555.db2.gz BZDQLUOTVJBANW-OALUTQOASA-N 1 0 370.497 2.142 20 30 FEEDRO N#Cc1ccc(OC(F)F)c(NC(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)c1 ZINC000365187267 555505571 /nfs/dbraw/zinc/50/55/71/555505571.db2.gz RIUDYVSVPWBCQS-STQMWFEESA-N 1 0 366.368 2.144 20 30 FEEDRO N#Cc1ccc(Br)c(CN2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c1 ZINC000365201861 555510028 /nfs/dbraw/zinc/51/00/28/555510028.db2.gz KGUICNGCNKOCGO-DLBZAZTESA-N 1 0 364.287 2.352 20 30 FEEDRO C#CCN(CCn1cncn1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000365205932 555510734 /nfs/dbraw/zinc/51/07/34/555510734.db2.gz FEPFIEZKUXQQME-OAHLLOKOSA-N 1 0 361.243 2.500 20 30 FEEDRO C=CCN(C(=O)COC[C@@H]1CCOC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000365325904 555543089 /nfs/dbraw/zinc/54/30/89/555543089.db2.gz JFDDQNRPUFZHHC-WOJBJXKFSA-N 1 0 358.482 2.329 20 30 FEEDRO CC[N@@H+](CC(=O)N1CCCCCC1)C[C@H](O)COc1ccc(C#N)cc1 ZINC000513222078 561929959 /nfs/dbraw/zinc/92/99/59/561929959.db2.gz FXPXRFADIDTAKT-SFHVURJKSA-N 1 0 359.470 2.022 20 30 FEEDRO CCC(CC)(NC(=O)C1C[NH+](Cc2ccccc2C(C)(C)C#N)C1)C(N)=O ZINC000513242372 561930936 /nfs/dbraw/zinc/93/09/36/561930936.db2.gz QSAFTUGBUNZPQA-UHFFFAOYSA-N 1 0 370.497 2.080 20 30 FEEDRO Cc1c(C#N)cccc1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000513806374 561950632 /nfs/dbraw/zinc/95/06/32/561950632.db2.gz IABQVPCZXJGGKC-PZJWPPBQSA-N 1 0 363.461 2.480 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)NC[C@@H]2CC(=O)N(C)[C@H]2c2ccccc2)CC1 ZINC000366320800 555811082 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30 FEEDRO C[C@H](NC(=O)C(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C)c1ccc(C#N)cc1 ZINC000514875637 561984629 /nfs/dbraw/zinc/98/46/29/561984629.db2.gz KONKEJPAYYOQIY-JYJNAYRXSA-N 1 0 356.470 2.115 20 30 FEEDRO C#CC[C@@H](Cc1ccccc1)NC(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000367850031 556154092 /nfs/dbraw/zinc/15/40/92/556154092.db2.gz RCQHOIPINHVUBH-IBGZPJMESA-N 1 0 355.482 2.127 20 30 FEEDRO N#Cc1ccc(C[N@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)c([N+](=O)[O-])c1 ZINC000514941943 561988091 /nfs/dbraw/zinc/98/80/91/561988091.db2.gz LXEHZLNVMCEIOW-GOEBONIOSA-N 1 0 350.378 2.247 20 30 FEEDRO COc1cccc(CC[NH2+]C[C@H](O)COc2ccc(C#N)cc2)c1OC ZINC000515072080 561995420 /nfs/dbraw/zinc/99/54/20/561995420.db2.gz BNVLUCYXTJSUPU-KRWDZBQOSA-N 1 0 356.422 2.147 20 30 FEEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CC[C@H]3C(=O)NC[C@H]3C2)c1 ZINC000368102253 556219248 /nfs/dbraw/zinc/21/92/48/556219248.db2.gz XRQGQRSSMSRTLT-JENIJYKNSA-N 1 0 368.481 2.007 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)c(Cl)c1 ZINC000368107747 556221113 /nfs/dbraw/zinc/22/11/13/556221113.db2.gz HBHZAIQSJOSKJC-CQSZACIVSA-N 1 0 353.875 2.222 20 30 FEEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@@H]1CN(C2CC2)CCO1 ZINC000368169436 556235993 /nfs/dbraw/zinc/23/59/93/556235993.db2.gz YHAYSCXIRLGOQZ-LJQANCHMSA-N 1 0 354.454 2.119 20 30 FEEDRO N#Cc1ccc2ncc(C[NH2+]C[C@H]3CCN(C(=O)Cc4ccccc4)C3)n2c1 ZINC000368560237 556346343 /nfs/dbraw/zinc/34/63/43/556346343.db2.gz BECDNABZYPXKOO-LJQANCHMSA-N 1 0 373.460 2.387 20 30 FEEDRO CCC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1C[C@H](O)COc1ccc(C#N)cc1 ZINC000368666138 556379353 /nfs/dbraw/zinc/37/93/53/556379353.db2.gz CJTPZUPPDPTOOP-YSIASYRMSA-N 1 0 371.481 2.163 20 30 FEEDRO CCC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1CC(=O)NCc1ccc(C#N)cc1 ZINC000368669281 556380023 /nfs/dbraw/zinc/38/00/23/556380023.db2.gz ODHDQIKBESKVHU-RBUKOAKNSA-N 1 0 368.481 2.040 20 30 FEEDRO N#Cc1ccc(C2(C(=O)NC[C@@H]3CCC[C@@H]3[NH+]3CCOCC3)CC2)cc1 ZINC000368723770 556398273 /nfs/dbraw/zinc/39/82/73/556398273.db2.gz XFMITFKPTZQTMW-HKUYNNGSSA-N 1 0 353.466 2.207 20 30 FEEDRO COc1ccc(C#N)cc1C[N@@H+]1CCC[C@H](c2n[nH]cc2C(=O)N(C)C)C1 ZINC000369043670 556486966 /nfs/dbraw/zinc/48/69/66/556486966.db2.gz BUQKJJRQBWZYCB-HNNXBMFYSA-N 1 0 367.453 2.371 20 30 FEEDRO Cn1cc2c(n1)CCC[C@H]2C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000369157959 556520277 /nfs/dbraw/zinc/52/02/77/556520277.db2.gz SNXBBOLEUCBYOA-GOSISDBHSA-N 1 0 365.481 2.302 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCN(c3cc(C)ccc3F)C2=O)CC1 ZINC000369413098 556595453 /nfs/dbraw/zinc/59/54/53/556595453.db2.gz JBSDESMHYHBOFO-GOSISDBHSA-N 1 0 371.456 2.091 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)C[C@H]2c3ccccc3CCN2C(C)=O)CC1 ZINC000369592620 556640909 /nfs/dbraw/zinc/64/09/09/556640909.db2.gz QGBNOFCXJBFZEN-NRFANRHFSA-N 1 0 367.493 2.126 20 30 FEEDRO C[NH+](C)[C@@H](CNC(=O)N1CCC(n2cnc(C#N)n2)CC1)C1CCCCC1 ZINC000369721869 556677945 /nfs/dbraw/zinc/67/79/45/556677945.db2.gz HRKHAFPGTLMZHS-KRWDZBQOSA-N 1 0 373.505 2.007 20 30 FEEDRO C[C@H](CO)[N@@H+]1CCCN(C(=O)c2cn(CCCC#N)c3ccccc23)CC1 ZINC000369732082 556679810 /nfs/dbraw/zinc/67/98/10/556679810.db2.gz MTPLVRGOFXRKGC-QGZVFWFLSA-N 1 0 368.481 2.474 20 30 FEEDRO C[NH+](C)CCn1ccc(=NC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)[nH]1 ZINC000369778188 556692326 /nfs/dbraw/zinc/69/23/26/556692326.db2.gz AOCSXCMPILBXFX-QZTJIDSGSA-N 1 0 366.469 2.748 20 30 FEEDRO COCC[N@H+](C)CCCNC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000369870840 556717925 /nfs/dbraw/zinc/71/79/25/556717925.db2.gz GXAPKFCJZNUJJU-MOPGFXCFSA-N 1 0 358.486 2.436 20 30 FEEDRO Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N3CCC[C@H]([NH+](C)C)C3)C2)n1 ZINC000369935752 556734856 /nfs/dbraw/zinc/73/48/56/556734856.db2.gz JIWYRLADANLQNL-ROUUACIJSA-N 1 0 355.486 2.031 20 30 FEEDRO CC1(C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000369954458 556740323 /nfs/dbraw/zinc/74/03/23/556740323.db2.gz IDIYGAMAGMZSDC-FQEVSTJZSA-N 1 0 366.509 2.487 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)Cn2c(C)cc3ccccc32)c1C#N ZINC000516555330 562047629 /nfs/dbraw/zinc/04/76/29/562047629.db2.gz BTJLKYJWRSXCPJ-UHFFFAOYSA-N 1 0 350.426 2.335 20 30 FEEDRO C[C@@H](C(=O)NCCC1=CCCCC1)[NH+]1CCC(n2cnc(C#N)n2)CC1 ZINC000370120772 556785953 /nfs/dbraw/zinc/78/59/53/556785953.db2.gz IXEIYBODQWRPQM-HNNXBMFYSA-N 1 0 356.474 2.182 20 30 FEEDRO C=CCn1c(C)cc(C(=O)CN2CCC[C@@H]2C[N@@H+]2CCC[C@@H]2CO)c1C ZINC000370355159 556849183 /nfs/dbraw/zinc/84/91/83/556849183.db2.gz LDRADMLDHJKOAE-RTBURBONSA-N 1 0 359.514 2.395 20 30 FEEDRO C=CCn1c(C)cc(C(=O)CN2CCC[C@@H]2C[N@@H+]2CCC[C@H]2CO)c1C ZINC000370355156 556849434 /nfs/dbraw/zinc/84/94/34/556849434.db2.gz LDRADMLDHJKOAE-MOPGFXCFSA-N 1 0 359.514 2.395 20 30 FEEDRO N#Cc1ccc(N2CCC[C@H]([N@H+]3CCCC[C@H]3[C@H]3CNC(=O)C3)C2=O)cc1 ZINC000370500029 556891451 /nfs/dbraw/zinc/89/14/51/556891451.db2.gz OSLGEHCLLHFWTF-NEWSRXKRSA-N 1 0 366.465 2.044 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N2C[C@H](C)O[C@]3(CCO[C@@H]3C)C2)CC1 ZINC000370507462 556893988 /nfs/dbraw/zinc/89/39/88/556893988.db2.gz IETBTBNRYLYRER-FRQCXROJSA-N 1 0 351.491 2.005 20 30 FEEDRO CN1CC[C@H]([NH2+]CC(=O)NCc2ccc(C#N)cc2)[C@H]1c1ccc(F)cc1 ZINC000370730952 556952264 /nfs/dbraw/zinc/95/22/64/556952264.db2.gz RSAPHHQBFPSGGZ-PZJWPPBQSA-N 1 0 366.440 2.349 20 30 FEEDRO N#CCCN(CCC#N)C(=O)C[N@H+]1CCCC[C@@H]1[C@@H](O)c1ccccc1 ZINC000370774088 556964133 /nfs/dbraw/zinc/96/41/33/556964133.db2.gz NYKCXQDCNNFUOP-QUCCMNQESA-N 1 0 354.454 2.230 20 30 FEEDRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)N[C@H](CCC#N)c3ccccc3)CC2)C1 ZINC000370879733 557000325 /nfs/dbraw/zinc/00/03/25/557000325.db2.gz XZXUPKSGCXJAOQ-VQTJNVASSA-N 1 0 369.513 2.453 20 30 FEEDRO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCC[C@H](N2CCCCC2=O)C1 ZINC000370896832 557007242 /nfs/dbraw/zinc/00/72/42/557007242.db2.gz CVNPDKDCQMZDID-HNNXBMFYSA-N 1 0 360.483 2.425 20 30 FEEDRO Cn1cc([C@@H]2[C@@H](CNC(=O)c3cccc(CC#N)c3)CCC[N@@H+]2C)cn1 ZINC000370909706 557011618 /nfs/dbraw/zinc/01/16/18/557011618.db2.gz DMIJEJNSIACWMV-MJGOQNOKSA-N 1 0 351.454 2.299 20 30 FEEDRO C[C@@H](c1ccc(N2CCCS2(=O)=O)cc1)[N@H+](C)CCOCCC#N ZINC000517043168 562073038 /nfs/dbraw/zinc/07/30/38/562073038.db2.gz IYRJLCNCBPBZII-HNNXBMFYSA-N 1 0 351.472 2.150 20 30 FEEDRO N#CCCC1CCN(C(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)CC1 ZINC000517232607 562081480 /nfs/dbraw/zinc/08/14/80/562081480.db2.gz AHHUDWCMPDIPDH-HXUWFJFHSA-N 1 0 370.497 2.479 20 30 FEEDRO N#Cc1ccc(OC[C@@H](O)CN2CCC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000371205437 557106905 /nfs/dbraw/zinc/10/69/05/557106905.db2.gz RVNHAJILOCGSDT-UXHICEINSA-N 1 0 357.498 2.496 20 30 FEEDRO C=CCNC(=O)C[N@H+](C)CC1CCN(C(=O)Nc2ccc(F)cc2)CC1 ZINC000371250244 557119723 /nfs/dbraw/zinc/11/97/23/557119723.db2.gz URPDEPKBZOKKGI-UHFFFAOYSA-N 1 0 362.449 2.304 20 30 FEEDRO C=CCOc1ccc(CC(=O)N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)cc1 ZINC000517284941 562084357 /nfs/dbraw/zinc/08/43/57/562084357.db2.gz PELGYIDYQUDUAM-FQEVSTJZSA-N 1 0 371.525 2.421 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)NC[C@H](c2ccccc2)N2CCOCC2)CC1 ZINC000517335914 562085785 /nfs/dbraw/zinc/08/57/85/562085785.db2.gz ZCRHTIBUJSKSLU-HXUWFJFHSA-N 1 0 372.513 2.010 20 30 FEEDRO C[C@H]1CN(C(=O)NCCOc2ccc(C#N)cc2)CC[N@@H+](C2CCC2)C1 ZINC000517469408 562090829 /nfs/dbraw/zinc/09/08/29/562090829.db2.gz KKQSXIWEEGYARC-MRXNPFEDSA-N 1 0 356.470 2.453 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@H]1CCO[C@]2(CCOC2)C1)C(C)C ZINC000371431140 557185361 /nfs/dbraw/zinc/18/53/61/557185361.db2.gz MWDPYIHEMPPIGH-NLWGTHIKSA-N 1 0 365.518 2.322 20 30 FEEDRO N#CC1(NC(=O)c2cccc(C(N)=O)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000371529324 557210658 /nfs/dbraw/zinc/21/06/58/557210658.db2.gz RPZQDPKKIOYLFP-UHFFFAOYSA-N 1 0 362.433 2.074 20 30 FEEDRO C=C(C)CN(CC)C(=O)[C@@H](C)N1CCN(C2CC[NH+](CCC)CC2)CC1 ZINC000371622010 557242029 /nfs/dbraw/zinc/24/20/29/557242029.db2.gz RSAVTIQEYNTPGB-LJQANCHMSA-N 1 0 364.578 2.292 20 30 FEEDRO Cn1cc([C@H](NCC(=O)NCc2ccc(C#N)cc2)c2ccccc2)cn1 ZINC000371709878 557271005 /nfs/dbraw/zinc/27/10/05/557271005.db2.gz KLDRBXBJGAFPJL-OAQYLSRUSA-N 1 0 359.433 2.287 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2nn(-c3cccnc3)cc2C)CC1 ZINC000371774504 557290337 /nfs/dbraw/zinc/29/03/37/557290337.db2.gz QBTIVCAYGNTIHF-UHFFFAOYSA-N 1 0 354.458 2.738 20 30 FEEDRO CC(C)Oc1ccc(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1C#N ZINC000372085971 557376490 /nfs/dbraw/zinc/37/64/90/557376490.db2.gz QNCYEPVUIGKBGT-IRXDYDNUSA-N 1 0 370.453 2.027 20 30 FEEDRO Cc1c(C#N)cccc1NC(=O)Nc1cnn(CCN2CCOCC2)c1 ZINC000372101644 557380327 /nfs/dbraw/zinc/38/03/27/557380327.db2.gz KMUPTUJHYCZZLR-UHFFFAOYSA-N 1 0 354.414 2.039 20 30 FEEDRO N#Cc1ccsc1NC(=O)CN1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000372272026 557426684 /nfs/dbraw/zinc/42/66/84/557426684.db2.gz FTTQPSJRSJEZQB-LBPRGKRZSA-N 1 0 360.399 2.000 20 30 FEEDRO C#CCNC(=O)c1ccc(N2CCC3(C[C@H]3C[N@@H+](C)C3CC3)CC2)nc1 ZINC000372424265 557467255 /nfs/dbraw/zinc/46/72/55/557467255.db2.gz CYEVIMSRRLZQFF-KRWDZBQOSA-N 1 0 352.482 2.145 20 30 FEEDRO Cc1cc(NC(=O)NC2CC[NH+](C(C)C)CC2)nn1-c1cccc(C#N)c1 ZINC000372484377 557482877 /nfs/dbraw/zinc/48/28/77/557482877.db2.gz ZGPCTZGXIOCQCH-UHFFFAOYSA-N 1 0 366.469 3.047 20 30 FEEDRO CN(C)c1ncc(C[NH2+]CC2CCN(c3ccccc3C#N)CC2)cn1 ZINC000372628491 557525262 /nfs/dbraw/zinc/52/52/62/557525262.db2.gz ULHIUHUXFAYINH-UHFFFAOYSA-N 1 0 350.470 2.420 20 30 FEEDRO CC(C)C[N@@H+]1CCCN(C(=O)C(=O)Nc2ccccc2O[C@@H](C)C#N)CC1 ZINC000372641644 557528040 /nfs/dbraw/zinc/52/80/40/557528040.db2.gz UKDXYRJWEVXEOP-INIZCTEOSA-N 1 0 372.469 2.106 20 30 FEEDRO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCC[C@H](n2ccnn2)C1 ZINC000519768325 562143196 /nfs/dbraw/zinc/14/31/96/562143196.db2.gz XHIXICCCEMQJPF-DOMZBBRYSA-N 1 0 358.833 2.467 20 30 FEEDRO Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(n3cnc(C#N)n3)CC2)cc1C ZINC000373408743 557688247 /nfs/dbraw/zinc/68/82/47/557688247.db2.gz YWJSAVSOZFSSAQ-OAHLLOKOSA-N 1 0 352.442 2.431 20 30 FEEDRO C[C@@H](C(=O)NCc1ccccc1Cl)[NH+]1CCC(n2cnc(C#N)n2)CC1 ZINC000373408405 557688498 /nfs/dbraw/zinc/68/84/98/557688498.db2.gz XMNCZJHKIXWBMK-ZDUSSCGKSA-N 1 0 372.860 2.145 20 30 FEEDRO CS(=O)(=O)C1(C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)CC1 ZINC000373490108 557703334 /nfs/dbraw/zinc/70/33/34/557703334.db2.gz OGCUWPTYJCOWOE-UHFFFAOYSA-N 1 0 358.467 2.131 20 30 FEEDRO CN1CC[NH2+]C[C@@H]1CNC(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000520420888 562156109 /nfs/dbraw/zinc/15/61/09/562156109.db2.gz NJPNAUUCIFQSNQ-QGZVFWFLSA-N 1 0 365.437 2.376 20 30 FEEDRO N#Cc1ccc(NC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)cc1Cl ZINC000373921410 557787493 /nfs/dbraw/zinc/78/74/93/557787493.db2.gz MDYHBAMWTQNDAI-OAHLLOKOSA-N 1 0 360.845 2.237 20 30 FEEDRO C#CCNC(=O)[C@H](C)[NH+]1CCC([C@H]2c3ccc(Cl)cc3NC2=O)CC1 ZINC000373984173 557801068 /nfs/dbraw/zinc/80/10/68/557801068.db2.gz YIATYIJWDWZWBE-SJCJKPOMSA-N 1 0 359.857 2.226 20 30 FEEDRO CCOc1ccc(C#N)cc1NC(=O)C(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000520790723 562163768 /nfs/dbraw/zinc/16/37/68/562163768.db2.gz BGWBMNASKAIJTA-GASCZTMLSA-N 1 0 372.469 2.275 20 30 FEEDRO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)Nc1cccc(C#Cc2ccccc2)c1 ZINC000521030351 562167812 /nfs/dbraw/zinc/16/78/12/562167812.db2.gz AJIOCDBTLQAOPA-KRWDZBQOSA-N 1 0 363.461 2.481 20 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/nfs/dbraw/zinc/94/10/34/557941034.db2.gz ORACERJELPYXQL-PZJWPPBQSA-N 1 0 370.497 2.325 20 30 FEEDRO C[C@@H](OC[C@@H]1CCCO1)C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000374896900 557947423 /nfs/dbraw/zinc/94/74/23/557947423.db2.gz PBTBTTAVWAAPOE-MJGOQNOKSA-N 1 0 371.481 2.245 20 30 FEEDRO CN1CCC[C@]2(CC[N@H+](CC(=O)Nc3cc(Cl)ccc3C#N)C2)C1=O ZINC000375254363 557999448 /nfs/dbraw/zinc/99/94/48/557999448.db2.gz YRWALYWPPUKHHX-GOSISDBHSA-N 1 0 360.845 2.094 20 30 FEEDRO N#C[C@@H]1C[N@@H+](CC2CCC3(CC2)OCCO3)C[C@@]12C(=O)Nc1ccccc12 ZINC000375434418 558026592 /nfs/dbraw/zinc/02/65/92/558026592.db2.gz DQONFRDZCMVUOH-IIBYNOLFSA-N 1 0 367.449 2.265 20 30 FEEDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CCC(C#N)(c2ccccn2)CC1 ZINC000375595650 558054518 /nfs/dbraw/zinc/05/45/18/558054518.db2.gz IAPINZGJXSFJHH-DOTOQJQBSA-N 1 0 353.470 2.131 20 30 FEEDRO C=CCN1CC[C@H]([N@@H+]2CCC[C@H](Nc3cc(OC)cc(OC)c3)C2)C1=O ZINC000375615557 558057271 /nfs/dbraw/zinc/05/72/71/558057271.db2.gz ZUDZOFOHGORRRJ-KXBFYZLASA-N 1 0 359.470 2.367 20 30 FEEDRO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCC[C@H]1[NH2+]CCn1cnc(C#N)n1 ZINC000376122722 558129772 /nfs/dbraw/zinc/12/97/72/558129772.db2.gz LDXURHGNXVWVQR-BZUAXINKSA-N 1 0 374.489 2.308 20 30 FEEDRO C#CCOc1ccccc1NC(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000376332406 558159308 /nfs/dbraw/zinc/15/93/08/558159308.db2.gz KUJYTSIXVGTIEF-IEBWSBKVSA-N 1 0 370.497 2.188 20 30 FEEDRO Cc1n[nH]c(C)c1S(=O)(=O)N1CCC([NH2+]CC(C)(C)CCC#N)CC1 ZINC000376814365 558224841 /nfs/dbraw/zinc/22/48/41/558224841.db2.gz MWIPIUXLHMOECZ-UHFFFAOYSA-N 1 0 367.519 2.099 20 30 FEEDRO C[NH+](C)C[C@H]1CCN(C(=O)NCC2CCN(c3ccccc3C#N)CC2)C1 ZINC000376940315 558242287 /nfs/dbraw/zinc/24/22/87/558242287.db2.gz SGHCPCOJTJSSEM-GOSISDBHSA-N 1 0 369.513 2.368 20 30 FEEDRO C[C@H](c1ccccc1)[NH+]1CCC(NS(=O)(=O)c2cccnc2C#N)CC1 ZINC000376985624 558248350 /nfs/dbraw/zinc/24/83/50/558248350.db2.gz OHCAZLMNNLJFRO-OAHLLOKOSA-N 1 0 370.478 2.457 20 30 FEEDRO C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000377239770 558296479 /nfs/dbraw/zinc/29/64/79/558296479.db2.gz RJXOZAWZLVHPFM-LEWJYISDSA-N 1 0 368.525 2.042 20 30 FEEDRO CCCC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CCC(=O)N1Cc1cccc(C#N)c1 ZINC000377443319 558341706 /nfs/dbraw/zinc/34/17/06/558341706.db2.gz SFTMQGPOIQWRRC-LPHOPBHVSA-N 1 0 370.497 2.286 20 30 FEEDRO Cc1ccc(C#N)cc1S(=O)(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000522279406 562195927 /nfs/dbraw/zinc/19/59/27/562195927.db2.gz IGLZQMXUXARSKQ-UHFFFAOYSA-N 1 0 373.478 2.286 20 30 FEEDRO COCCC[N@H+](C)CCNC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000377881077 558440899 /nfs/dbraw/zinc/44/08/99/558440899.db2.gz USDBDFDFQSXYJI-RTBURBONSA-N 1 0 358.486 2.436 20 30 FEEDRO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCC[C@H](c3nnc[nH]3)C1)CCC2 ZINC000378001394 558460604 /nfs/dbraw/zinc/46/06/04/558460604.db2.gz RHTVHMACGLZRPU-LBPRGKRZSA-N 1 0 370.482 2.435 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@@H](NC(=O)N2CCCC2)[C@H](C)CC)CC1 ZINC000522884703 562205456 /nfs/dbraw/zinc/20/54/56/562205456.db2.gz OLEPCZOGYYCAJA-AEFFLSMTSA-N 1 0 364.534 2.363 20 30 FEEDRO N#CCOc1ccccc1C(=O)NC1CC[NH+](CC2(O)CCCCC2)CC1 ZINC000378393036 558546287 /nfs/dbraw/zinc/54/62/87/558546287.db2.gz UUYUQZUYMANCGB-UHFFFAOYSA-N 1 0 371.481 2.478 20 30 FEEDRO CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCC2(C[C@H]2C(=O)N2CCCCC2)CC1 ZINC000378405795 558549386 /nfs/dbraw/zinc/54/93/86/558549386.db2.gz DPPLRCMEYTYZSR-MSOLQXFVSA-N 1 0 374.529 2.109 20 30 FEEDRO Cc1ncc(S(=O)(=O)NCC[C@H](C)[N@H+](C)Cc2ccccc2)cc1C#N ZINC000379708536 558602705 /nfs/dbraw/zinc/60/27/05/558602705.db2.gz VPCWGCWXWCUDSL-HNNXBMFYSA-N 1 0 372.494 2.451 20 30 FEEDRO CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@H](c1ccccc1)[NH+](CC)CC ZINC000409536310 558700983 /nfs/dbraw/zinc/70/09/83/558700983.db2.gz PSDHROFDJANXKR-SJLPKXTDSA-N 1 0 366.531 2.385 20 30 FEEDRO C[C@H](C(=O)NCC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)n1cnc(C#N)n1 ZINC000409851836 558723343 /nfs/dbraw/zinc/72/33/43/558723343.db2.gz ANTHJMROWSAIHV-NUJGCVRESA-N 1 0 366.469 2.128 20 30 FEEDRO C[C@@H]1CC[N@H+](CCNC(=O)CCC(=O)N(CCC#N)c2ccccc2)C1 ZINC000524775418 562234524 /nfs/dbraw/zinc/23/45/24/562234524.db2.gz GSEUKRDNZJUFQN-QGZVFWFLSA-N 1 0 356.470 2.171 20 30 FEEDRO CCN(CCC#N)S(=O)(=O)N[C@@H](C)[C@@H](c1ccccc1C)[NH+](C)C ZINC000410405020 558755429 /nfs/dbraw/zinc/75/54/29/558755429.db2.gz CFIMCJYFGXRNNX-RDJZCZTQSA-N 1 0 352.504 2.056 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(F)c(F)c2C)CC1 ZINC000411218902 558854893 /nfs/dbraw/zinc/85/48/93/558854893.db2.gz ALEMXEPBJWOTCX-UHFFFAOYSA-N 1 0 351.397 2.368 20 30 FEEDRO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC[C@](C(N)=O)(c2ccccc2)C1 ZINC000411966078 558996472 /nfs/dbraw/zinc/99/64/72/558996472.db2.gz LBVIHTBGLBMHCX-QVKFZJNVSA-N 1 0 362.433 2.014 20 30 FEEDRO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@@](C(N)=O)(c2ccccc2)C1 ZINC000411973208 558998044 /nfs/dbraw/zinc/99/80/44/558998044.db2.gz WWGGFURWKNZKSG-BTYIYWSLSA-N 1 0 362.433 2.014 20 30 FEEDRO N#Cc1ccc(NC(=O)CC[N@@H+]2C[C@@H](c3ccccc3)[C@H](C(N)=O)C2)cc1 ZINC000411990581 558999790 /nfs/dbraw/zinc/99/97/90/558999790.db2.gz XYINKOHOOARVQS-RBUKOAKNSA-N 1 0 362.433 2.088 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@@H](CO)[C@H]1CCCOC1 ZINC000411999851 559000883 /nfs/dbraw/zinc/00/08/83/559000883.db2.gz XYWLKSUYASDGDE-ZOBUZTSGSA-N 1 0 352.500 2.028 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@H](CO)[C@@H]1CCCOC1 ZINC000411999848 559001012 /nfs/dbraw/zinc/00/10/12/559001012.db2.gz XYWLKSUYASDGDE-ZMSDIMECSA-N 1 0 352.500 2.028 20 30 FEEDRO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@@H](c1ccccc1)C1(CO)CCOCC1 ZINC000412009518 559001779 /nfs/dbraw/zinc/00/17/79/559001779.db2.gz JIHUJSIAOADBTO-XLIONFOSSA-N 1 0 373.497 2.115 20 30 FEEDRO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](CCC(=O)OC(C)(C)C)C1 ZINC000412074420 559010215 /nfs/dbraw/zinc/01/02/15/559010215.db2.gz RAANSCVBXUFFFC-CABCVRRESA-N 1 0 367.490 2.221 20 30 FEEDRO C[C@@H](C(=O)NC1(C#N)CCC1)[NH+]1CCC2(C[C@H]2C(=O)N2CCCCC2)CC1 ZINC000526057923 562265344 /nfs/dbraw/zinc/26/53/44/562265344.db2.gz WLJXFBMQKDZXJI-IRXDYDNUSA-N 1 0 372.513 2.052 20 30 FEEDRO Cn1cc(-c2ncc(C[N@@H+]3CCCN(c4ccccc4C#N)CC3)cn2)cn1 ZINC000526971505 562271380 /nfs/dbraw/zinc/27/13/80/562271380.db2.gz LCOVZSBOBCCOSW-UHFFFAOYSA-N 1 0 373.464 2.461 20 30 FEEDRO COCC[C@@H](C)CNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000413625513 559121140 /nfs/dbraw/zinc/12/11/40/559121140.db2.gz NXCBLICBZCIALN-QGZVFWFLSA-N 1 0 358.486 2.448 20 30 FEEDRO C=CCN1C(=O)c2ccccc2NC12CC[NH+](CCCC(=O)OC)CC2 ZINC000414197151 559152794 /nfs/dbraw/zinc/15/27/94/559152794.db2.gz XQIYADSZUXXOEI-UHFFFAOYSA-N 1 0 357.454 2.486 20 30 FEEDRO N#CC1(c2ccccc2)CCC([NH2+]CCCCn2cc(C(N)=O)nn2)CC1 ZINC000414351562 559157993 /nfs/dbraw/zinc/15/79/93/559157993.db2.gz NTFQMXPSLIRGDF-UHFFFAOYSA-N 1 0 366.469 2.151 20 30 FEEDRO Cc1ccc(CNC(Nc2ccccc2)=[NH+]C[C@H](O)Cn2ccnn2)cc1 ZINC000414357871 559158347 /nfs/dbraw/zinc/15/83/47/559158347.db2.gz FFPFGTNJGWKGRZ-IBGZPJMESA-N 1 0 364.453 2.205 20 30 FEEDRO CN(C)c1ncc(C[NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)n1C ZINC000414361088 559158527 /nfs/dbraw/zinc/15/85/27/559158527.db2.gz BKUFUWXOTOBAEN-UHFFFAOYSA-N 1 0 354.458 2.233 20 30 FEEDRO C=CC[C@@H]1N(C(=O)C(=O)Nc2cnc3c(c2)C[C@H]([NH3+])CC3)CCCC1(C)C ZINC000415196200 559213899 /nfs/dbraw/zinc/21/38/99/559213899.db2.gz RDOXYDKFLDYYLZ-QAPCUYQASA-N 1 0 370.497 2.429 20 30 FEEDRO C[NH2+][C@@H]1CCN(C(=O)C(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)C)C3)C1 ZINC000415305296 559222464 /nfs/dbraw/zinc/22/24/64/559222464.db2.gz VFWQXTXGLSFPSH-QWHCGFSZSA-N 1 0 374.510 2.139 20 30 FEEDRO C[C@@H]([NH3+])C1CCN(C(=O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CC1 ZINC000415371998 559228459 /nfs/dbraw/zinc/22/84/59/559228459.db2.gz ARBDWRGJHZDATB-SNVBAGLBSA-N 1 0 368.359 2.101 20 30 FEEDRO N#Cc1ccc(NC(=O)C(=O)NCC[C@H]2CCC[NH2+]C2)cc1C(F)(F)F ZINC000415409813 559232652 /nfs/dbraw/zinc/23/26/52/559232652.db2.gz UCYOFLHETRRHMT-LLVKDONJSA-N 1 0 368.359 2.021 20 30 FEEDRO N#CCc1ccc(NC(=O)C(=O)N[C@@H](C[NH3+])C2CCCCC2)c(Cl)c1 ZINC000415426297 559235134 /nfs/dbraw/zinc/23/51/34/559235134.db2.gz MXQGPOYLHUBDSI-INIZCTEOSA-N 1 0 362.861 2.368 20 30 FEEDRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)Nc2sc(C(C)(C)C)cc2C#N)C1 ZINC000415432826 559236035 /nfs/dbraw/zinc/23/60/35/559236035.db2.gz HPEJGVUHAXCTJX-NEPJUHHUSA-N 1 0 362.499 2.442 20 30 FEEDRO C[C@H]1CN(C(=O)C(=O)Nc2cccc(C#Cc3ccccc3)c2)CC[C@H]1[NH3+] ZINC000415436747 559236780 /nfs/dbraw/zinc/23/67/80/559236780.db2.gz CBQRLZHQXPPAKV-OXJNMPFZSA-N 1 0 361.445 2.221 20 30 FEEDRO N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)n1 ZINC000415445702 559237705 /nfs/dbraw/zinc/23/77/05/559237705.db2.gz GYNRSLHTEBGEBY-CABCVRRESA-N 1 0 370.844 2.756 20 30 FEEDRO C[C@@H]1CCN(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)[C@@H](C[NH3+])C1 ZINC000415465321 559240020 /nfs/dbraw/zinc/24/00/20/559240020.db2.gz SIRWJUNDWRBXOY-IUODEOHRSA-N 1 0 372.860 2.988 20 30 FEEDRO C[NH2+]C[C@@H]1CCCN1C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 ZINC000415468016 559240348 /nfs/dbraw/zinc/24/03/48/559240348.db2.gz VXVVMQNFJQAKAZ-AWEZNQCLSA-N 1 0 358.833 2.613 20 30 FEEDRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 ZINC000415467136 559240423 /nfs/dbraw/zinc/24/04/23/559240423.db2.gz VDTAWDWFNANNJO-DGCLKSJQSA-N 1 0 358.833 2.598 20 30 FEEDRO N#Cc1ccc(-n2ccc(NC(=O)N[C@H](C[NH3+])C3CCCC3)n2)c(Cl)c1 ZINC000415471141 559241032 /nfs/dbraw/zinc/24/10/32/559241032.db2.gz ZTTCQBYXOZYQRI-OAHLLOKOSA-N 1 0 372.860 3.036 20 30 FEEDRO CCOc1ccc(C#N)cc1NC(=O)C(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000415499754 559244023 /nfs/dbraw/zinc/24/40/23/559244023.db2.gz VESNGBLIVCGBAR-CYBMUJFWSA-N 1 0 366.421 2.232 20 30 FEEDRO N#Cc1cc(NC(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)ccc1Cl ZINC000415521607 559246173 /nfs/dbraw/zinc/24/61/73/559246173.db2.gz POURRGXUEBSUTC-INIZCTEOSA-N 1 0 360.845 2.141 20 30 FEEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000415551478 559248838 /nfs/dbraw/zinc/24/88/38/559248838.db2.gz DONUDRJQBROBRE-RDBSUJKOSA-N 1 0 360.483 2.228 20 30 FEEDRO C[NH2+]C[C@@H](C)CNC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N ZINC000415554449 559249110 /nfs/dbraw/zinc/24/91/10/559249110.db2.gz DGWQOCUIZUZGFP-CQSZACIVSA-N 1 0 357.458 2.247 20 30 FEEDRO CC(C)(C)c1cc(C#N)c(NC(=O)C(=O)NC[C@@]2(C)CCC[NH2+]C2)s1 ZINC000415573172 559251207 /nfs/dbraw/zinc/25/12/07/559251207.db2.gz PNIIRQCGPJOVEN-SFHVURJKSA-N 1 0 362.499 2.362 20 30 FEEDRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)Nc1cccc(C#Cc2ccccc2)c1 ZINC000415615174 559255373 /nfs/dbraw/zinc/25/53/73/559255373.db2.gz OHSNCHRKVVTJOR-JXFKEZNVSA-N 1 0 361.445 2.139 20 30 FEEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000415616226 559255440 /nfs/dbraw/zinc/25/54/40/559255440.db2.gz DELLVOBLLDEBCW-GUTXKFCHSA-N 1 0 360.483 2.134 20 30 FEEDRO N#CCCSc1ccccc1NC(=O)C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000415671699 559260278 /nfs/dbraw/zinc/26/02/78/559260278.db2.gz DFIFXGSJKXZBFU-CQSZACIVSA-N 1 0 360.483 2.218 20 30 FEEDRO CC1(C)CCC[NH2+][C@H]1CNC(=O)C(=O)Nc1ccc(CC#N)cc1Cl ZINC000415677973 559260989 /nfs/dbraw/zinc/26/09/89/559260989.db2.gz PQDCDXKZBNRQAC-HNNXBMFYSA-N 1 0 362.861 2.239 20 30 FEEDRO COCC[NH2+]CCNC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 ZINC000415728798 559265687 /nfs/dbraw/zinc/26/56/87/559265687.db2.gz BPHXEMQKOCGMPA-UHFFFAOYSA-N 1 0 355.398 2.103 20 30 FEEDRO O=C(Nc1cccc(C#Cc2ccccc2)c1)C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000415792819 559271492 /nfs/dbraw/zinc/27/14/92/559271492.db2.gz TXYMXSXNTOKDQX-CTNGQTDRSA-N 1 0 373.456 2.235 20 30 FEEDRO Cc1c(C#N)cccc1NC(=O)C(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000415826424 559275706 /nfs/dbraw/zinc/27/57/06/559275706.db2.gz CNWDDFOTFMAHLP-GOSISDBHSA-N 1 0 350.422 2.402 20 30 FEEDRO [NH3+]C[C@H]1CC[C@@H](NC(=O)C(=O)Nc2ccccc2C#Cc2ccccc2)C1 ZINC000415842194 559277532 /nfs/dbraw/zinc/27/75/32/559277532.db2.gz WSQDQQOHGJFTFH-PKOBYXMFSA-N 1 0 361.445 2.269 20 30 FEEDRO CCc1ccccc1[C@H]([NH3+])CNC(=O)C(=O)Nc1cc(C)cc(C#N)c1 ZINC000415843567 559277699 /nfs/dbraw/zinc/27/76/99/559277699.db2.gz QEMXKYFVFIZSPR-GOSISDBHSA-N 1 0 350.422 2.184 20 30 FEEDRO CCc1ccccc1[C@@H]([NH3+])CNC(=O)C(=O)Nc1cc(C)cc(C#N)c1 ZINC000415843568 559277726 /nfs/dbraw/zinc/27/77/26/559277726.db2.gz QEMXKYFVFIZSPR-SFHVURJKSA-N 1 0 350.422 2.184 20 30 FEEDRO N#CCc1ccc(NC(=O)C(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c(Cl)c1 ZINC000415858710 559279149 /nfs/dbraw/zinc/27/91/49/559279149.db2.gz UCCAIDHLVMLVQO-LSDHHAIUSA-N 1 0 374.872 2.193 20 30 FEEDRO C[C@@H](C#N)S(=O)(=O)N(CC[NH+](C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000416386309 559309274 /nfs/dbraw/zinc/30/92/74/559309274.db2.gz INRDGTDYTKCVJZ-LBPRGKRZSA-N 1 0 363.405 2.311 20 30 FEEDRO Cc1cc(NC(=O)N(C)CCC[N@@H+](C)CCN(C)C)c(C#N)cc1N(C)C ZINC000417148062 559349976 /nfs/dbraw/zinc/34/99/76/559349976.db2.gz CYBOHSWNYOQONE-UHFFFAOYSA-N 1 0 374.533 2.280 20 30 FEEDRO C[C@@H](CCCC[NH3+])NC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000417577940 559367372 /nfs/dbraw/zinc/36/73/72/559367372.db2.gz MYNVBIOAKKIZNP-HOCLYGCPSA-N 1 0 361.465 2.483 20 30 FEEDRO N#Cc1ccc(N2CCC[C@H](NC(=O)N[C@@H]3CCCC[C@H]3C[NH3+])C2)c(F)c1 ZINC000417580684 559367536 /nfs/dbraw/zinc/36/75/36/559367536.db2.gz RKLMPZFJSNOCQO-XYJFISCASA-N 1 0 373.476 2.483 20 30 FEEDRO CCCC[C@@H](C[NH3+])NC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000417970552 559384432 /nfs/dbraw/zinc/38/44/32/559384432.db2.gz QZSYOAPNPKAPLO-CGZBRXJRSA-N 1 0 359.474 2.460 20 30 FEEDRO C[C@@H](CCCC[NH3+])NC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000417974105 559384557 /nfs/dbraw/zinc/38/45/57/559384557.db2.gz VHWZAAVQVAJTIP-OOHWJJMZSA-N 1 0 359.474 2.460 20 30 FEEDRO C[C@H]([NH3+])c1ccc(CNC(=O)N2CCN(c3cc(C#N)ccn3)CC2)cc1 ZINC000418460635 559402600 /nfs/dbraw/zinc/40/26/00/559402600.db2.gz KJHOOHMQKCQXMC-HNNXBMFYSA-N 1 0 364.453 2.005 20 30 FEEDRO C[C@H]([NH3+])c1ccc(CNC(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1 ZINC000418460356 559402668 /nfs/dbraw/zinc/40/26/68/559402668.db2.gz JWUFNXXYJYGPGG-KBXCAEBGSA-N 1 0 365.437 2.336 20 30 FEEDRO C=CCN(CCOC)C(=O)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000418575652 559406886 /nfs/dbraw/zinc/40/68/86/559406886.db2.gz WVWKUPJZTJLPCK-PBHICJAKSA-N 1 0 353.413 2.254 20 30 FEEDRO N#Cc1ccccc1N1CCN(C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)CC1 ZINC000418670601 559410600 /nfs/dbraw/zinc/41/06/00/559410600.db2.gz RKYIGOUIKXUSDC-QAQDUYKDSA-N 1 0 355.486 2.155 20 30 FEEDRO N#Cc1ccc(OC2CCN(C(=O)N[C@@H]3CC[C@@H](C[NH3+])C3)CC2)c(F)c1 ZINC000418787116 559416006 /nfs/dbraw/zinc/41/60/06/559416006.db2.gz JMSZGRNAYFLGTO-UKRRQHHQSA-N 1 0 360.433 2.378 20 30 FEEDRO C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N(CCC)C1CC[NH2+]CC1 ZINC000419058033 559426507 /nfs/dbraw/zinc/42/65/07/559426507.db2.gz PETDLZYADAUNGE-GOSISDBHSA-N 1 0 357.498 2.281 20 30 FEEDRO CC1CC[NH+](C[C@@H](O)CNC(=O)N[C@@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000419632118 559450569 /nfs/dbraw/zinc/45/05/69/559450569.db2.gz FQBMRMFKPQTHOL-AZUAARDMSA-N 1 0 370.497 2.328 20 30 FEEDRO C=C(C)[C@@H](NC(=O)C(=O)N1CCCC[C@H]1C[NH3+])c1ccc(F)c(F)c1 ZINC000419674674 559453178 /nfs/dbraw/zinc/45/31/78/559453178.db2.gz JILNVKHGCPCIQY-XJKSGUPXSA-N 1 0 351.397 2.038 20 30 FEEDRO C=CCC[C@@H]1NC(=O)N([C@H](C)C[NH+]2CCN(c3ccccc3)CC2)C1=O ZINC000419974238 559467114 /nfs/dbraw/zinc/46/71/14/559467114.db2.gz JGRJTAAYPRPTEE-AEFFLSMTSA-N 1 0 356.470 2.084 20 30 FEEDRO Cc1cccc(S(=O)(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)c1C#N ZINC000420467295 559489127 /nfs/dbraw/zinc/48/91/27/559489127.db2.gz CTWYJQXOPKWYMT-DOTOQJQBSA-N 1 0 359.426 2.121 20 30 FEEDRO Cc1cc(C#N)ccc1S(=O)(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000420472537 559489477 /nfs/dbraw/zinc/48/94/77/559489477.db2.gz SNIPFCFSGUJENC-DOTOQJQBSA-N 1 0 359.426 2.121 20 30 FEEDRO CN(C[C@@H]1CCC[N@@H+]1C)S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000420742499 559501694 /nfs/dbraw/zinc/50/16/94/559501694.db2.gz VEQHTCVPZTWYLP-LBPRGKRZSA-N 1 0 372.288 2.035 20 30 FEEDRO CC(C)Oc1ccc(NC(=O)C(=O)NC2CCC([NH+](C)C)CC2)cc1C#N ZINC000421289465 559536032 /nfs/dbraw/zinc/53/60/32/559536032.db2.gz QICGGRUQXHDSEB-UHFFFAOYSA-N 1 0 372.469 2.273 20 30 FEEDRO C=CCOc1cccnc1C(=O)N1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000422021447 559561007 /nfs/dbraw/zinc/56/10/07/559561007.db2.gz NNBNURXKGFOXPP-UHFFFAOYSA-N 1 0 372.513 2.279 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCCC1(O)CCC1 ZINC000422243389 559573112 /nfs/dbraw/zinc/57/31/12/559573112.db2.gz XPQQFLCPHYBQNU-UHFFFAOYSA-N 1 0 358.486 2.327 20 30 FEEDRO C[N@H+](Cc1ccccc1)[C@H](CNC(=O)C(=O)NCC(C)(C)CC#N)C1CC1 ZINC000422375347 559583161 /nfs/dbraw/zinc/58/31/61/559583161.db2.gz JIQMBANPFSKMGD-GOSISDBHSA-N 1 0 370.497 2.069 20 30 FEEDRO C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000422529365 559593113 /nfs/dbraw/zinc/59/31/13/559593113.db2.gz OYEGQRNIQOQQSB-XUVXKRRUSA-N 1 0 369.509 2.233 20 30 FEEDRO C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000422533429 559593417 /nfs/dbraw/zinc/59/34/17/559593417.db2.gz XHHCEIGMUZFZAF-QXAKKESOSA-N 1 0 357.498 2.089 20 30 FEEDRO C[C@@H](C(=O)NC1(C#N)CCC1)N(C)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000527298317 562284355 /nfs/dbraw/zinc/28/43/55/562284355.db2.gz ASOVSZGKWMNKMK-DOTOQJQBSA-N 1 0 354.454 2.065 20 30 FEEDRO C=CCNC(=O)Nc1ccc(NC(=O)c2cnn([C@@H]3CCC[NH2+]C3)c2)cc1 ZINC000422955665 559612953 /nfs/dbraw/zinc/61/29/53/559612953.db2.gz MVIWNDKTCMCRGD-QGZVFWFLSA-N 1 0 368.441 2.367 20 30 FEEDRO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000423531031 559631369 /nfs/dbraw/zinc/63/13/69/559631369.db2.gz SECIJYZTNHHEQX-QRVBRYPASA-N 1 0 370.497 2.117 20 30 FEEDRO N#CCCC[C@H]([NH3+])C(=O)N1CCC(c2nc(-c3ccccc3)n[nH]2)CC1 ZINC000424111985 559655243 /nfs/dbraw/zinc/65/52/43/559655243.db2.gz HVKSNDNGXHMSAM-INIZCTEOSA-N 1 0 352.442 2.199 20 30 FEEDRO CCOc1cc2c(cc1[C@@H]1C[C@@H]1NC(=O)[C@H]([NH3+])CCCC#N)O[C@H](C)C2 ZINC000424135193 559655780 /nfs/dbraw/zinc/65/57/80/559655780.db2.gz JANBBYMSYYGDGF-UOJCXKCYSA-N 1 0 357.454 2.402 20 30 FEEDRO C=CCCn1cc(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)nn1 ZINC000424150358 559656245 /nfs/dbraw/zinc/65/62/45/559656245.db2.gz DGLILNFZHXZGIX-CZUORRHYSA-N 1 0 361.396 2.008 20 30 FEEDRO C=CCCn1cc(C(=O)N(C)CC2CCN(c3cc[nH+]cc3)CC2)nn1 ZINC000424752550 559675769 /nfs/dbraw/zinc/67/57/69/559675769.db2.gz XITYGCPUOWNDHR-UHFFFAOYSA-N 1 0 354.458 2.238 20 30 FEEDRO C=CCCn1cc(C(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)nn1 ZINC000424816867 559677522 /nfs/dbraw/zinc/67/75/22/559677522.db2.gz ASOPTZVLUWKKSY-UHFFFAOYSA-N 1 0 369.469 2.257 20 30 FEEDRO CC(C)[NH+]1CCN(C2CCN(c3ncc4c(c3C#N)CCC4)CC2)CC1 ZINC000425247401 559693187 /nfs/dbraw/zinc/69/31/87/559693187.db2.gz NTRHKXQJNQBGDO-UHFFFAOYSA-N 1 0 353.514 2.437 20 30 FEEDRO COC(=O)[C@H](CC[NH+]1CCN(c2cc(C#N)ccn2)CC1)c1ccccc1 ZINC000425407463 559700574 /nfs/dbraw/zinc/70/05/74/559700574.db2.gz PMSUIILMMQSJJI-LJQANCHMSA-N 1 0 364.449 2.422 20 30 FEEDRO C[C@H](c1cccc(C#N)c1)N(C)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000425526260 559707869 /nfs/dbraw/zinc/70/78/69/559707869.db2.gz JLAMVCWZXAYMRQ-MRXNPFEDSA-N 1 0 357.502 2.287 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCC(OCC[NH+](CC)CC)CC1 ZINC000425564813 559710000 /nfs/dbraw/zinc/71/00/00/559710000.db2.gz MPOCUINXBLQMBA-WMZOPIPTSA-N 1 0 353.507 2.110 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)Nc1cccc(C[NH+](CC)CC)c1 ZINC000425778908 559719248 /nfs/dbraw/zinc/71/92/48/559719248.db2.gz BVOADXVMPUAMNI-WMZOPIPTSA-N 1 0 359.470 2.174 20 30 FEEDRO C[C@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000425874352 559723699 /nfs/dbraw/zinc/72/36/99/559723699.db2.gz CHXGHZBOEJRGBZ-DLBZAZTESA-N 1 0 370.497 2.314 20 30 FEEDRO C[C@@H](c1ccccc1)[C@H]([NH2+]CCC(=O)Nc1sccc1C#N)C(N)=O ZINC000428856933 559784894 /nfs/dbraw/zinc/78/48/94/559784894.db2.gz PMFCVEKOWICIRL-LRDDRELGSA-N 1 0 356.451 2.196 20 30 FEEDRO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000429012120 559788210 /nfs/dbraw/zinc/78/82/10/559788210.db2.gz UJLXIECYHBVVIB-ORAYPTAESA-N 1 0 358.511 2.463 20 30 FEEDRO C=CCN1CC[C@H]([N@H+]2C[C@@H](c3ccc(Cl)cc3)[C@H](C(=O)OC)C2)C1=O ZINC000429113459 559790912 /nfs/dbraw/zinc/79/09/12/559790912.db2.gz IILHAEWEIBJVSD-BBWFWOEESA-N 1 0 362.857 2.315 20 30 FEEDRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)c2ccc(C#N)o2)c1 ZINC000429842051 559806829 /nfs/dbraw/zinc/80/68/29/559806829.db2.gz SDJZXRCQKWZDBW-UHFFFAOYSA-N 1 0 354.410 2.475 20 30 FEEDRO Cc1ccc2ncc(C#N)c(NCC(=O)NCC[NH+]3CCCCCC3)c2c1 ZINC000431486905 559840150 /nfs/dbraw/zinc/84/01/50/559840150.db2.gz WMPYWUWCSYMPPQ-UHFFFAOYSA-N 1 0 365.481 2.241 20 30 FEEDRO Cc1c(C#N)cccc1NC(=O)C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000431845383 559847185 /nfs/dbraw/zinc/84/71/85/559847185.db2.gz ODHKOBMFAHTABR-GOSISDBHSA-N 1 0 364.449 2.094 20 30 FEEDRO N#CCCn1cc(C[NH2+]CCCN2CCCCC2=O)c(-c2ccncc2)n1 ZINC000433321503 559876922 /nfs/dbraw/zinc/87/69/22/559876922.db2.gz VLJBRYFYGDLJAX-UHFFFAOYSA-N 1 0 366.469 2.351 20 30 FEEDRO C=CCN(C(=O)c1ncn([C@H]2CCC[NH2+]C2)n1)c1nc2c(s1)CCCC2 ZINC000433395290 559879853 /nfs/dbraw/zinc/87/98/53/559879853.db2.gz QMYXROZGFJCVPZ-ZDUSSCGKSA-N 1 0 372.498 2.371 20 30 FEEDRO CN(CC[N@H+](C)C1CC1)S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000433879886 559889574 /nfs/dbraw/zinc/88/95/74/559889574.db2.gz NWNBSBYVKZOLLB-UHFFFAOYSA-N 1 0 372.288 2.035 20 30 FEEDRO Cc1cc(NC(=O)N(CCC#N)CCC[NH+](C)C)n(C2CCOCC2)n1 ZINC000434120158 559894524 /nfs/dbraw/zinc/89/45/24/559894524.db2.gz KOQNBTALAAKDQM-UHFFFAOYSA-N 1 0 362.478 2.242 20 30 FEEDRO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N(C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000434748313 559908344 /nfs/dbraw/zinc/90/83/44/559908344.db2.gz RKZHOHSMQKIMLE-BOFXEDATSA-N 1 0 371.529 2.449 20 30 FEEDRO CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)NCC[N@@H+]1CCCC(C)(C)C1 ZINC000435306288 559919905 /nfs/dbraw/zinc/91/99/05/559919905.db2.gz UTYZNGXSBZGFEF-UHFFFAOYSA-N 1 0 373.501 2.291 20 30 FEEDRO Cc1oc(C#N)cc1C(=O)Nc1ccccc1C[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000435687455 559928095 /nfs/dbraw/zinc/92/80/95/559928095.db2.gz GBKWZRYYFZWVOE-OAHLLOKOSA-N 1 0 366.421 2.409 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1ccc(OCC(=O)NCC)c(OC)c1 ZINC000435740672 559929204 /nfs/dbraw/zinc/92/92/04/559929204.db2.gz FUFPWXNPAYOKED-UZLBHIALSA-N 1 0 362.470 2.281 20 30 FEEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)NCCC[N@H+](C)CCN(C)C ZINC000436503799 559943594 /nfs/dbraw/zinc/94/35/94/559943594.db2.gz NIEMZIGMCTUJLZ-UHFFFAOYSA-N 1 0 361.490 2.350 20 30 FEEDRO Cc1nc2ccccc2n1C[C@@H]1CCC[N@@H+]1CC(=O)NC1(C#N)CCC1 ZINC000527378214 562287191 /nfs/dbraw/zinc/28/71/91/562287191.db2.gz KCTJPAMKYJZZTJ-INIZCTEOSA-N 1 0 351.454 2.372 20 30 FEEDRO COc1cc(C[N@H+](C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)ccc1C#N ZINC000442806050 560057855 /nfs/dbraw/zinc/05/78/55/560057855.db2.gz BLEIDJPHVBXONI-CYBMUJFWSA-N 1 0 359.451 2.407 20 30 FEEDRO COCC[N@@H+]1CCCN(c2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000443431900 560084047 /nfs/dbraw/zinc/08/40/47/560084047.db2.gz PTJVHRXVJFPCET-UHFFFAOYSA-N 1 0 355.398 2.173 20 30 FEEDRO Cc1cc(C[NH2+]Cc2cccnc2N2CCC(C(N)=O)CC2)ccc1C#N ZINC000443986023 560098562 /nfs/dbraw/zinc/09/85/62/560098562.db2.gz YUFGZSQSILCQFE-UHFFFAOYSA-N 1 0 363.465 2.253 20 30 FEEDRO N#Cc1ccc(N2C[C@@H](C(=O)NCC[NH+]3CCCCC3)CC2=O)cc1Cl ZINC000448706075 560195235 /nfs/dbraw/zinc/19/52/35/560195235.db2.gz WTZDQWKORYOGRG-HNNXBMFYSA-N 1 0 374.872 2.167 20 30 FEEDRO C[NH+](C)[C@@H](CNC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)C1CC1 ZINC000448751079 560197925 /nfs/dbraw/zinc/19/79/25/560197925.db2.gz RNKBEHJTNWWFKG-YOEHRIQHSA-N 1 0 374.872 2.021 20 30 FEEDRO C=CCc1cc(C[N@H+]2C[C@H](C(=O)OCC)C3(COC3)C2)cc(OC)c1O ZINC000449365110 560227173 /nfs/dbraw/zinc/22/71/73/560227173.db2.gz OXESLUKTOMHMLJ-MRXNPFEDSA-N 1 0 361.438 2.141 20 30 FEEDRO C[NH+](C)C1CCN(C(=O)COc2ccc(C#N)c(Br)c2)CC1 ZINC000449805426 560240612 /nfs/dbraw/zinc/24/06/12/560240612.db2.gz VVRAZPAQOZMXTR-UHFFFAOYSA-N 1 0 366.259 2.252 20 30 FEEDRO CC[N@@H+]1CCC[C@@H](NC(=O)COc2cccc(Br)c2C#N)C1 ZINC000449823099 560241378 /nfs/dbraw/zinc/24/13/78/560241378.db2.gz YZGVKSVRQHJZHX-GFCCVEGCSA-N 1 0 366.259 2.300 20 30 FEEDRO CC[N@@H+]1CCCN(C(=O)COc2ccc(C#N)c(Br)c2)CC1 ZINC000449852532 560242785 /nfs/dbraw/zinc/24/27/85/560242785.db2.gz DRZYUGSWAQIPOO-UHFFFAOYSA-N 1 0 366.259 2.254 20 30 FEEDRO C[C@@H]1C[C@@H](NC(=O)COc2ccc(C#N)c(Br)c2)CC[N@@H+]1C ZINC000449943193 560245899 /nfs/dbraw/zinc/24/58/99/560245899.db2.gz YHBQHRIBCFXCRC-YPMHNXCESA-N 1 0 366.259 2.298 20 30 FEEDRO C[C@H]1C[N@H+](CCOc2ccc(CCNc3nccc(C#N)n3)cc2)C[C@H]1C ZINC000450418154 560261738 /nfs/dbraw/zinc/26/17/38/560261738.db2.gz DXAADAAUYUTGJD-CALCHBBNSA-N 1 0 365.481 2.969 20 30 FEEDRO C[NH+](C)C1(CNS(=O)(=O)Cc2ccc(F)cc2C#N)CCCCC1 ZINC000450974640 560280889 /nfs/dbraw/zinc/28/08/89/560280889.db2.gz NBYRWVDYECLAEN-UHFFFAOYSA-N 1 0 353.463 2.381 20 30 FEEDRO C[C@H](C[NH+]1CCCCCC1)NS(=O)(=O)Cc1ccc(F)cc1C#N ZINC000451406681 560305051 /nfs/dbraw/zinc/30/50/51/560305051.db2.gz KDKNSVOFXLJBBR-CQSZACIVSA-N 1 0 353.463 2.381 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000451601595 560316798 /nfs/dbraw/zinc/31/67/98/560316798.db2.gz BAPSVQYVGOGPKO-KGLIPLIRSA-N 1 0 360.273 2.156 20 30 FEEDRO C[NH+](C)CC1(NC(=O)COc2cccc(Br)c2C#N)CCC1 ZINC000451628372 560317986 /nfs/dbraw/zinc/31/79/86/560317986.db2.gz BHVTUCCDJJIHCH-UHFFFAOYSA-N 1 0 366.259 2.300 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000451648970 560319319 /nfs/dbraw/zinc/31/93/19/560319319.db2.gz APDXWUSKKLAFCD-IXDOHACOSA-N 1 0 365.543 2.038 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]CC(=O)N1CCN([C@@H](C)c2ccccc2)CC1 ZINC000451678542 560321583 /nfs/dbraw/zinc/32/15/83/560321583.db2.gz INTZVQLNQNOASI-SXLOBPIMSA-N 1 0 357.498 2.215 20 30 FEEDRO CCC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(CC#N)cc2Cl)CC1 ZINC000453648768 560393331 /nfs/dbraw/zinc/39/33/31/560393331.db2.gz KBGPWZABSBUORS-UHFFFAOYSA-N 1 0 362.861 2.335 20 30 FEEDRO Cc1cc(C#N)cc(NC(=O)C(=O)NC[C@H]2CCC[N@@H+](CC(C)C)C2)c1 ZINC000453670170 560395250 /nfs/dbraw/zinc/39/52/50/560395250.db2.gz KVMMDOXJIHGGIB-MRXNPFEDSA-N 1 0 356.470 2.289 20 30 FEEDRO C[N@H+]1CC=C(CNC(=O)C(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)CC1 ZINC000453686059 560396701 /nfs/dbraw/zinc/39/67/01/560396701.db2.gz BKCDDHWLNQIVOZ-UHFFFAOYSA-N 1 0 370.453 2.052 20 30 FEEDRO N#CCc1ccc(NC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCC2)c(Cl)c1 ZINC000453712442 560398843 /nfs/dbraw/zinc/39/88/43/560398843.db2.gz SFZQISLLLFXVHA-HNNXBMFYSA-N 1 0 374.872 2.431 20 30 FEEDRO C[C@@H]1C[C@@H](N(C)C(=O)C(=O)Nc2ccc(CC#N)cc2Cl)CC[N@@H+]1C ZINC000453713417 560398917 /nfs/dbraw/zinc/39/89/17/560398917.db2.gz IFBARBBEZMUTEX-OCCSQVGLSA-N 1 0 362.861 2.286 20 30 FEEDRO Cc1nc(NC(=O)C(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)ccc1C#N ZINC000453726003 560399796 /nfs/dbraw/zinc/39/97/96/560399796.db2.gz CWNNYJWXPHBMAV-QGZVFWFLSA-N 1 0 369.469 2.114 20 30 FEEDRO Cc1nc(NC(=O)C(=O)N[C@H](C)[C@@H](c2ccccc2)[NH+](C)C)ccc1C#N ZINC000453732173 560400244 /nfs/dbraw/zinc/40/02/44/560400244.db2.gz CVWCNMOVOYDCPW-KDOFPFPSSA-N 1 0 365.437 2.008 20 30 FEEDRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)C(=O)N3CCC(F)(C#N)CC3)ccc21 ZINC000453740068 560400838 /nfs/dbraw/zinc/40/08/38/560400838.db2.gz IVAZGSWBRUDNES-MRXNPFEDSA-N 1 0 358.417 2.028 20 30 FEEDRO CCOc1ccc(C#N)cc1NC(=O)NC(C)(C)CN1CC[NH+](CC)CC1 ZINC000454594532 560450698 /nfs/dbraw/zinc/45/06/98/560450698.db2.gz ZTKFPGJFJVIWIA-UHFFFAOYSA-N 1 0 373.501 2.495 20 30 FEEDRO CC[C@@H](C)[NH+]1CCN(C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CC1 ZINC000455103283 560470308 /nfs/dbraw/zinc/47/03/08/560470308.db2.gz ORZILDNCPDAKAL-CQSZACIVSA-N 1 0 370.432 2.831 20 30 FEEDRO Cc1cc(C#N)cc(NC(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)c1 ZINC000456001826 560504034 /nfs/dbraw/zinc/50/40/34/560504034.db2.gz MDUQMYSLSBRXEO-UHFFFAOYSA-N 1 0 364.453 2.335 20 30 FEEDRO N#CCCCn1cc(C(=O)NCC[NH+]2CCC(O)CC2)c2ccccc21 ZINC000456581195 560524925 /nfs/dbraw/zinc/52/49/25/560524925.db2.gz KDOCSZUEJIKMII-UHFFFAOYSA-N 1 0 354.454 2.132 20 30 FEEDRO CC[NH+]1CCN(CC(C)(C)NC(=O)[C@H](C#N)CCc2ccccc2)CC1 ZINC000456886569 560535609 /nfs/dbraw/zinc/53/56/09/560535609.db2.gz UMMNZPIDTOBEHS-IBGZPJMESA-N 1 0 356.514 2.291 20 30 FEEDRO Cc1cc(C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)ncc1C#N ZINC000457426217 560566180 /nfs/dbraw/zinc/56/61/80/560566180.db2.gz ADQPBZMPEWQERO-UHFFFAOYSA-N 1 0 363.465 2.204 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000457505258 560571134 /nfs/dbraw/zinc/57/11/34/560571134.db2.gz IADXOIDLVYJGMK-OALUTQOASA-N 1 0 350.503 2.319 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N2C[C@H](C(=O)OC)[C@@H](c3ccccc3)C2)CC1 ZINC000458330405 560615161 /nfs/dbraw/zinc/61/51/61/560615161.db2.gz GOLFHVBUIJGQBK-MOPGFXCFSA-N 1 0 371.481 2.235 20 30 FEEDRO C=CCC[C@H](CO)NC(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000458748790 560645713 /nfs/dbraw/zinc/64/57/13/560645713.db2.gz CICPOCRFHIUOJV-QGZVFWFLSA-N 1 0 361.486 2.286 20 30 FEEDRO C[C@H](NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)c1ccn(C)n1 ZINC000459301853 560678404 /nfs/dbraw/zinc/67/84/04/560678404.db2.gz QJDYNYONDFUADJ-INIZCTEOSA-N 1 0 366.469 2.270 20 30 FEEDRO N#Cc1cccc([N+](=O)[O-])c1CN1CCC(CC[NH+]2CCOCC2)CC1 ZINC000459329953 560680050 /nfs/dbraw/zinc/68/00/50/560680050.db2.gz RWOWIQUOIUYIPV-UHFFFAOYSA-N 1 0 358.442 2.401 20 30 FEEDRO CC(C)n1cc([C@@H]2CN(Cc3c(C#N)cccc3[N+](=O)[O-])C[C@H]2CO)cn1 ZINC000459469183 560688026 /nfs/dbraw/zinc/68/80/26/560688026.db2.gz SIWMVCAYYSAMKR-IRXDYDNUSA-N 1 0 369.425 2.452 20 30 FEEDRO COCCOc1ccc(C#N)cc1NC(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000459495528 560689786 /nfs/dbraw/zinc/68/97/86/560689786.db2.gz VADGMKPSNQTVJG-HNNXBMFYSA-N 1 0 360.458 2.437 20 30 FEEDRO COc1ccc(C)cc1[C@H](C)[NH2+]CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1 ZINC000459653441 560700236 /nfs/dbraw/zinc/70/02/36/560700236.db2.gz CAFUXWZYKCWQEU-HKUYNNGSSA-N 1 0 372.513 2.347 20 30 FEEDRO N#Cc1cccc(COc2cccc(C[N@H+]3CCC[C@](O)(CO)C3)c2)c1 ZINC000459665827 560701052 /nfs/dbraw/zinc/70/10/52/560701052.db2.gz BRHYJWNOWLUVHA-OAQYLSRUSA-N 1 0 352.434 2.456 20 30 FEEDRO COC(=O)[C@H](Nc1cccc(C[N@@H+]2CC[C@@H](O)C2)c1)c1cccc(C#N)c1 ZINC000461098379 560761421 /nfs/dbraw/zinc/76/14/21/560761421.db2.gz OVFJCVBGLZARGZ-WOJBJXKFSA-N 1 0 365.433 2.451 20 30 FEEDRO COc1ccc(C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)nc1 ZINC000461793086 560784124 /nfs/dbraw/zinc/78/41/24/560784124.db2.gz APKXBFYXTGRUTC-UHFFFAOYSA-N 1 0 350.422 2.310 20 30 FEEDRO C[C@H](C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1)c1cccc(C#N)c1 ZINC000461906755 560787511 /nfs/dbraw/zinc/78/75/11/560787511.db2.gz BSVJVPNHSYQMEC-INIZCTEOSA-N 1 0 363.465 2.125 20 30 FEEDRO COCC[N@H+](C)CCCC1CCN(C(=O)N[C@@H]2CCC[C@H]2C#N)CC1 ZINC000461964912 560790029 /nfs/dbraw/zinc/79/00/29/560790029.db2.gz WMCTWISTPICAOV-ZWKOTPCHSA-N 1 0 350.507 2.459 20 30 FEEDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000462094489 560796661 /nfs/dbraw/zinc/79/66/61/560796661.db2.gz BHQHAZFAEHKENB-CQSZACIVSA-N 1 0 367.457 2.333 20 30 FEEDRO C[C@H](C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1)c1cccc(C#N)c1 ZINC000462270479 560803768 /nfs/dbraw/zinc/80/37/68/560803768.db2.gz OCTCGEAOJXKMKQ-UWVAXJGDSA-N 1 0 354.498 2.146 20 30 FEEDRO C=CCOc1cc(OC)ccc1C(=O)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000463495188 560817294 /nfs/dbraw/zinc/81/72/94/560817294.db2.gz CDDYJWBGRRBQAU-UHFFFAOYSA-N 1 0 373.497 2.114 20 30 FEEDRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000468853763 560940565 /nfs/dbraw/zinc/94/05/65/560940565.db2.gz FCPVZEZGHMVXHV-QGZVFWFLSA-N 1 0 368.437 2.396 20 30 FEEDRO CC[C@@H](CO)[NH+]1CCN(C(=O)c2cn(CCCC#N)c3ccccc23)CC1 ZINC000469758108 560963872 /nfs/dbraw/zinc/96/38/72/560963872.db2.gz VYWDASUWPJJTQE-KRWDZBQOSA-N 1 0 368.481 2.474 20 30 FEEDRO Cn1nccc1CN1C[C@@H](F)C[C@H]1C[N@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000470816471 560990342 /nfs/dbraw/zinc/99/03/42/560990342.db2.gz OTGOMQNOBRVQCT-WMZOPIPTSA-N 1 0 359.424 2.475 20 30 FEEDRO CC(C)OCC[C@H](O)C[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000471548292 561006914 /nfs/dbraw/zinc/00/69/14/561006914.db2.gz PYSJIVBTXDVEPU-IBGZPJMESA-N 1 0 359.470 2.385 20 30 FEEDRO Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)NCCC[N@@H+](C)C(C)C)C2)n1 ZINC000472027894 561016363 /nfs/dbraw/zinc/01/63/63/561016363.db2.gz BVBVWSMUKQWIIN-GOSISDBHSA-N 1 0 357.502 2.325 20 30 FEEDRO C=CCOc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2NS(C)(=O)=O)cc1OC ZINC000473837150 561058611 /nfs/dbraw/zinc/05/86/11/561058611.db2.gz RGXDBFSBAZHIIY-CVEARBPZSA-N 1 0 368.499 2.210 20 30 FEEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)[C@@H](O)Cc1ccccc1 ZINC000475321949 561094871 /nfs/dbraw/zinc/09/48/71/561094871.db2.gz NIMKGDZAJYGZCD-FQEVSTJZSA-N 1 0 351.450 2.052 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)NC1CCC(C(N)=O)CC1)C(C)C ZINC000476023084 561109600 /nfs/dbraw/zinc/10/96/00/561109600.db2.gz GNOKBDFBACWVEE-JCYILVPMSA-N 1 0 350.507 2.028 20 30 FEEDRO Cn1ncc(C(=O)NC[C@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)c1C#N ZINC000476723802 561127012 /nfs/dbraw/zinc/12/70/12/561127012.db2.gz KVKWALDDHNCPOK-OAHLLOKOSA-N 1 0 365.359 2.343 20 30 FEEDRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N(Cc1ccc(C#N)cc1)C(C)C ZINC000477083383 561136226 /nfs/dbraw/zinc/13/62/26/561136226.db2.gz PLANUIOFRFRJLE-INIZCTEOSA-N 1 0 358.486 2.142 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@H]1CCN1Cc1ccc(OC)cc1 ZINC000528027702 562311719 /nfs/dbraw/zinc/31/17/19/562311719.db2.gz UEQPHQMYUJRJHB-SCTDSRPQSA-N 1 0 359.470 2.160 20 30 FEEDRO CC(=O)Nc1cc(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)ccn1 ZINC000528283308 562320540 /nfs/dbraw/zinc/32/05/40/562320540.db2.gz SIFPCFNJZKBWJK-UHFFFAOYSA-N 1 0 365.437 2.116 20 30 FEEDRO CC(C)(C)CC[NH+]1CCN(CC#CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000528352999 562324258 /nfs/dbraw/zinc/32/42/58/562324258.db2.gz MFDPBHBOCAXOAP-UHFFFAOYSA-N 1 0 367.493 2.340 20 30 FEEDRO Cc1nccc([C@H]2CCC[N@H+](C[C@@H](O)COc3ccccc3C#N)C2)n1 ZINC000528357139 562324557 /nfs/dbraw/zinc/32/45/57/562324557.db2.gz UDBYOQMGZBNBHL-ZWKOTPCHSA-N 1 0 352.438 2.276 20 30 FEEDRO CO[C@@H](Cc1ccc(F)cc1)C[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000528357670 562324703 /nfs/dbraw/zinc/32/47/03/562324703.db2.gz KGCPSFAIBNTDJH-IBGZPJMESA-N 1 0 354.429 2.472 20 30 FEEDRO N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000528427470 562328768 /nfs/dbraw/zinc/32/87/68/562328768.db2.gz ZEUNUTBHPKYYHF-AEFFLSMTSA-N 1 0 367.453 2.104 20 30 FEEDRO C[C@](O)(C1CC[NH+](C[C@@H](O)COc2ccccc2C#N)CC1)C(F)(F)F ZINC000528452025 562330145 /nfs/dbraw/zinc/33/01/45/562330145.db2.gz KMRCTQHWSNZXCU-WBVHZDCISA-N 1 0 372.387 2.323 20 30 FEEDRO CN1CC[C@H]([NH2+]C[C@H](O)COc2ccccc2C#N)[C@@H]1c1ccccc1 ZINC000528490452 562332033 /nfs/dbraw/zinc/33/20/33/562332033.db2.gz KBBJNBFVAUEQNY-ZJOUEHCJSA-N 1 0 351.450 2.333 20 30 FEEDRO CC1(C)CN(CC#CCN2C(=O)c3ccccc3C2=O)[C@@H]1[C@H]1CCCO1 ZINC000528504118 562332814 /nfs/dbraw/zinc/33/28/14/562332814.db2.gz MQZIDTXJLWPXOS-QZTJIDSGSA-N 1 0 352.434 2.175 20 30 FEEDRO CO[C@@H]1C[C@H]([N@H+](C)CC#CCN2C(=O)c3ccccc3C2=O)C12CCC2 ZINC000528515469 562333331 /nfs/dbraw/zinc/33/33/31/562333331.db2.gz AAUDULZDNMXRNK-ZWKOTPCHSA-N 1 0 352.434 2.175 20 30 FEEDRO O=C1c2ccccc2C(=O)N1CC#CC[N@H+]1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000528516728 562333598 /nfs/dbraw/zinc/33/35/98/562333598.db2.gz AIWKISIHCBHNON-VQTJNVASSA-N 1 0 366.461 2.159 20 30 FEEDRO N#Cc1ccsc1NC(=O)CC[N@H+]1CC2(CCOCC2)CC[C@H]1CO ZINC000528641865 562339781 /nfs/dbraw/zinc/33/97/81/562339781.db2.gz WCWZDACTACVXIP-HNNXBMFYSA-N 1 0 363.483 2.202 20 30 FEEDRO C[C@H](C(=O)Nc1ccccc1C#N)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000528729703 562344520 /nfs/dbraw/zinc/34/45/20/562344520.db2.gz ITSKJQIKKLLYNF-MRXNPFEDSA-N 1 0 356.470 2.072 20 30 FEEDRO N#Cc1cccnc1-n1cc(NC(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)cn1 ZINC000529061265 562358468 /nfs/dbraw/zinc/35/84/68/562358468.db2.gz HHDHCNYFSADCOF-KRWDZBQOSA-N 1 0 365.441 2.277 20 30 FEEDRO N#Cc1ccc(CC(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC000529409820 562372850 /nfs/dbraw/zinc/37/28/50/562372850.db2.gz UTJWSHAAMHGAAS-PMACEKPBSA-N 1 0 360.461 2.476 20 30 FEEDRO N#Cc1ccccc1OC[C@H](O)C[NH2+][C@H]1CCN(c2ccc(F)cc2)C1 ZINC000530233036 562403333 /nfs/dbraw/zinc/40/33/33/562403333.db2.gz OBGHMTSLQAWAMZ-PKOBYXMFSA-N 1 0 355.413 2.306 20 30 FEEDRO C[C@@H]([NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1)C(=O)NC1(C#N)CCC1 ZINC000530336859 562407459 /nfs/dbraw/zinc/40/74/59/562407459.db2.gz FLZVQQGVNSNPBZ-FZKQIMNGSA-N 1 0 355.438 2.449 20 30 FEEDRO N#CCCn1cc(C[NH2+][C@@H]2CCCS(=O)(=O)C2)c(-c2ccccc2)n1 ZINC000531018367 562432023 /nfs/dbraw/zinc/43/20/23/562432023.db2.gz TUQGNYJHLIVEPV-QGZVFWFLSA-N 1 0 358.467 2.131 20 30 FEEDRO C=CCN1CC[C@@H](N(C)[C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C1=O ZINC000532204651 562470517 /nfs/dbraw/zinc/47/05/17/562470517.db2.gz XRXICWVUHQLXCF-IUODEOHRSA-N 1 0 372.494 2.154 20 30 FEEDRO N#Cc1cccc(OCc2ccoc2C(=O)NCCNc2cc[nH+]cc2)c1 ZINC000534522988 562535918 /nfs/dbraw/zinc/53/59/18/562535918.db2.gz AKOUBSATPXDOGR-UHFFFAOYSA-N 1 0 362.389 2.389 20 30 FEEDRO N#Cc1ccccc1CSCCNC(=O)NCCNc1cc[nH+]cc1 ZINC000534525117 562535968 /nfs/dbraw/zinc/53/59/68/562535968.db2.gz SQMMBGRCDSTFLF-UHFFFAOYSA-N 1 0 355.467 2.020 20 30 FEEDRO C[NH+]1CCC(C#N)(NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000541295887 562608306 /nfs/dbraw/zinc/60/83/06/562608306.db2.gz GNJNNYONDKGXFN-UHFFFAOYSA-N 1 0 368.846 2.444 20 30 FEEDRO COc1cc(CC2C[NH+](C[C@@H](O)CC3(C#N)CCOCC3)C2)cc(OC)c1 ZINC000601958753 567886472 /nfs/dbraw/zinc/88/64/72/567886472.db2.gz NZMUSMQTNVZAJX-SFHVURJKSA-N 1 0 374.481 2.249 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)CCC(=O)Nc1c(F)cccc1F ZINC000602082076 567919781 /nfs/dbraw/zinc/91/97/81/567919781.db2.gz FQWFELOSXUGLDE-UHFFFAOYSA-N 1 0 366.412 2.377 20 30 FEEDRO N#CCCN1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)CC1 ZINC000602210234 567952915 /nfs/dbraw/zinc/95/29/15/567952915.db2.gz NEOBWIYGSJYSFU-SFHVURJKSA-N 1 0 358.461 2.096 20 30 FEEDRO C[C@H](CCC#N)C[NH2+]Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 ZINC000602525990 567987820 /nfs/dbraw/zinc/98/78/20/567987820.db2.gz DBPGVSXWHGTOOQ-NVXWUHKLSA-N 1 0 365.499 2.173 20 30 FEEDRO N#CCCCC[C@@H]([NH3+])C(=O)N[C@@H]1CCN(c2ccc(Cl)cc2F)C1=O ZINC000602543501 567989890 /nfs/dbraw/zinc/98/98/90/567989890.db2.gz BPUDEICYKOPASJ-ZIAGYGMSSA-N 1 0 366.824 2.112 20 30 FEEDRO C[C@@H](CCC#N)C[NH2+]Cc1cccc(NC(=O)CCN2CCOCC2)c1 ZINC000602587266 567994457 /nfs/dbraw/zinc/99/44/57/567994457.db2.gz YRPMMOXLXYDXSJ-KRWDZBQOSA-N 1 0 358.486 2.377 20 30 FEEDRO C=CCOCC[NH+]1CCC(n2nnc(C(=O)OCC)c2C(F)F)CC1 ZINC000602968770 568026109 /nfs/dbraw/zinc/02/61/09/568026109.db2.gz OPPRSIARXXOCPR-UHFFFAOYSA-N 1 0 358.389 2.232 20 30 FEEDRO C[C@@H]1CN(C(=O)C2CC[NH+](Cc3ccccc3)CC2)C[C@H](C)N1CC#N ZINC000603097847 568060212 /nfs/dbraw/zinc/06/02/12/568060212.db2.gz GSFYNGFYRBNEIL-HDICACEKSA-N 1 0 354.498 2.343 20 30 FEEDRO C[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2cccc(C#Cc3cccs3)c2)C1 ZINC000606108253 568659818 /nfs/dbraw/zinc/65/98/18/568659818.db2.gz RISORHHYOJMZIB-MRXNPFEDSA-N 1 0 367.474 2.154 20 30 FEEDRO C[C@@H](c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000736197701 599310598 /nfs/dbraw/zinc/31/05/98/599310598.db2.gz NXSGPVIEWUHAQQ-AWEZNQCLSA-N 1 0 360.425 2.017 20 30 FEEDRO C=C(Br)C[N@@H+](C)[C@H](C)C1CCN(S(=O)(=O)CC)CC1 ZINC000808775756 674471899 /nfs/dbraw/zinc/47/18/99/674471899.db2.gz JNZIYRWJFXAACX-GFCCVEGCSA-N 1 0 353.326 2.277 20 30 FEEDRO N#Cc1cccc([C@H](C(=O)[O-])[NH+]2CCC(CC[NH+]3CCOCC3)CC2)c1 ZINC000833074513 601312909 /nfs/dbraw/zinc/31/29/09/601312909.db2.gz ZLKHLGBWCRNCBX-LJQANCHMSA-N 1 0 357.454 2.118 20 30 FEEDRO COc1cc(C#N)ccc1C[N@@H+]1CCC[C@@H](CNC(=O)C(F)(F)F)C1 ZINC000810071275 674529398 /nfs/dbraw/zinc/52/93/98/674529398.db2.gz AJNQEFXJLIWUTN-ZDUSSCGKSA-N 1 0 355.360 2.457 20 30 FEEDRO C=CC[N@H+](Cc1cccc(C#N)c1)C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000819745704 606888721 /nfs/dbraw/zinc/88/87/21/606888721.db2.gz PYUPKEKHKQZZFY-LJQANCHMSA-N 1 0 360.421 2.460 20 30 FEEDRO N#Cc1ccsc1NC(=O)C[NH2+]C1(c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000826387713 608532696 /nfs/dbraw/zinc/53/26/96/608532696.db2.gz MSWJDTHJFFHLOF-UHFFFAOYSA-N 1 0 365.422 2.017 20 30 FEEDRO Cc1[nH+]c(CN=Nc2cc(-c3nn[nH]n3)cc(Cl)n2)c2ccccn12 ZINC000826324674 608541155 /nfs/dbraw/zinc/54/11/55/608541155.db2.gz ANMQHQGAJONRKN-UHFFFAOYSA-N 1 0 353.777 2.317 20 30 FEEDRO C#CCCCCCC(=O)N(CC[NH+](C)C)Cc1cccc(-c2nn[nH]n2)c1 ZINC000823840763 609575330 /nfs/dbraw/zinc/57/53/30/609575330.db2.gz FFVRUSJDGIMBEI-UHFFFAOYSA-N 1 0 368.485 2.341 20 30 FEEDRO C[N@H+](CCCc1[nH]nc(N)c1C#N)Cc1cc(Cl)c2c(c1)OCCO2 ZINC000560703060 674610487 /nfs/dbraw/zinc/61/04/87/674610487.db2.gz ZCUJGGVPKQWHQR-UHFFFAOYSA-N 1 0 361.833 2.353 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCSC(CC)(CC)C2)CC1 ZINC000561415384 674663933 /nfs/dbraw/zinc/66/39/33/674663933.db2.gz TYBLKHYTODFQAW-UHFFFAOYSA-N 1 0 367.559 2.277 20 30 FEEDRO Cn1cc(CC(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)c(Cl)n1 ZINC000814649081 674872660 /nfs/dbraw/zinc/87/26/60/674872660.db2.gz JCCCYDHGXPRVKK-UHFFFAOYSA-N 1 0 359.861 2.078 20 30 FEEDRO C#CCNC(=O)CC[NH2+][C@@]1(CNC(=O)OC(C)(C)C)CCCC[C@H]1C ZINC000815069523 674911316 /nfs/dbraw/zinc/91/13/16/674911316.db2.gz CCUXZDDRMGZIBL-DNVCBOLYSA-N 1 0 351.491 2.189 20 30 FEEDRO C#CC[N@H+](C)CCCNS(=O)(=O)/C=C\c1ccc(Br)cc1 ZINC000815082316 674913874 /nfs/dbraw/zinc/91/38/74/674913874.db2.gz KOADGSMYZRSOSQ-LCYFTJDESA-N 1 0 371.300 2.294 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@H](C)OC ZINC001048526329 675008892 /nfs/dbraw/zinc/00/88/92/675008892.db2.gz RVYFUYDENKVONA-UESMBRTFSA-N 1 0 350.503 2.362 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3cc(C)ns3)C[C@@H]2C1 ZINC001049111472 675023409 /nfs/dbraw/zinc/02/34/09/675023409.db2.gz SCMXYSOSWFELET-MVJTYMMSSA-N 1 0 361.511 2.323 20 30 FEEDRO CNC(=S)C(C(=O)c1cc(F)ccc1F)[n+]1ccc(N(C)C)cc1 ZINC000022734241 670043465 /nfs/dbraw/zinc/04/34/65/670043465.db2.gz LJNPVIBWRQNPLX-UHFFFAOYSA-O 1 0 350.414 2.477 20 30 FEEDRO C=CCn1c(C)nnc1SCC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000025320225 670061518 /nfs/dbraw/zinc/06/15/18/670061518.db2.gz ZADUTMRIXZQOKW-MRXNPFEDSA-N 1 0 359.499 2.284 20 30 FEEDRO C#CC[C@]1(C(=O)NC[C@H](C)C[NH+](C)C)CCCN1C(=O)OC(C)(C)C ZINC000816721446 675075158 /nfs/dbraw/zinc/07/51/58/675075158.db2.gz ZVSOUQRVKWPELN-HNAYVOBHSA-N 1 0 351.491 2.093 20 30 FEEDRO C[C@H](Cc1cccc(Br)c1)[NH2+]C[C@@H](O)CN(C)CCC#N ZINC000572223566 670975089 /nfs/dbraw/zinc/97/50/89/670975089.db2.gz GQBAKKYSRXTMNA-CZUORRHYSA-N 1 0 354.292 2.176 20 30 FEEDRO CCOC(=O)c1cccc(OC[C@H](O)C[NH2+]Cc2ccc(C#N)s2)c1 ZINC000572751226 671040099 /nfs/dbraw/zinc/04/00/99/671040099.db2.gz ADAZCTVJFGPUMA-CQSZACIVSA-N 1 0 360.435 2.326 20 30 FEEDRO N#CC1(CS(=O)(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)CCC1 ZINC000573672384 671149836 /nfs/dbraw/zinc/14/98/36/671149836.db2.gz FYKFLUMJBGOBKK-SFHVURJKSA-N 1 0 361.511 2.164 20 30 FEEDRO N#Cc1c(C(F)F)cccc1N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000574219650 671215861 /nfs/dbraw/zinc/21/58/61/671215861.db2.gz XQKCPHHKMDZPLJ-UHFFFAOYSA-N 1 0 351.397 2.159 20 30 FEEDRO CO[C@](C)(C[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)c1ccccc1 ZINC000566120941 675183603 /nfs/dbraw/zinc/18/36/03/675183603.db2.gz ZNIVJFRQLZMUAU-LJQANCHMSA-N 1 0 358.463 2.483 20 30 FEEDRO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1c1cc(Br)c(C#N)cc1F ZINC000574770948 671275974 /nfs/dbraw/zinc/27/59/74/671275974.db2.gz NCCTUZSVHDNRPE-QWRGUYRKSA-N 1 0 356.239 2.351 20 30 FEEDRO CC[C@@H]([NH2+]Cc1ccc(C#N)cc1C(F)(F)F)C(=O)N1CCOCC1 ZINC000576438528 671368506 /nfs/dbraw/zinc/36/85/06/671368506.db2.gz PYUPPJDSLQDZHD-OAHLLOKOSA-N 1 0 355.360 2.304 20 30 FEEDRO N#CCc1ccc(OC[C@H](O)C[NH2+][C@@H](CO)c2ccc(Cl)cc2)cc1 ZINC000577292585 671585773 /nfs/dbraw/zinc/58/57/73/671585773.db2.gz JJHFPCKWVGXYGX-MJGOQNOKSA-N 1 0 360.841 2.469 20 30 FEEDRO C[N@@H+]1CCC[C@H](CNC(=O)COc2ccc(C#N)c(Br)c2)C1 ZINC000577822783 671622138 /nfs/dbraw/zinc/62/21/38/671622138.db2.gz RFARMVUVDGRXKB-GFCCVEGCSA-N 1 0 366.259 2.158 20 30 FEEDRO N#CCc1ccc(OC[C@H](O)C[NH2+][C@H]2CCO[C@@]3(CCSC3)C2)cc1 ZINC000582482049 672005495 /nfs/dbraw/zinc/00/54/95/672005495.db2.gz RQVSMTOTCLOKKX-SCTDSRPQSA-N 1 0 362.495 2.137 20 30 FEEDRO C[C@H]1CC[N@H+](CCNC(=O)COc2ccc(C#N)c(Br)c2)C1 ZINC000583184460 672071330 /nfs/dbraw/zinc/07/13/30/672071330.db2.gz IXNGVIKWSQHXJE-LBPRGKRZSA-N 1 0 366.259 2.158 20 30 FEEDRO CN(CCC#N)C[C@H](O)C[NH2+][C@@H]1C[C@H]1c1ccc(Br)s1 ZINC000583258882 672078545 /nfs/dbraw/zinc/07/85/45/672078545.db2.gz JZQNXLIAGOKUNE-IJLUTSLNSA-N 1 0 358.305 2.162 20 30 FEEDRO C[NH+]=C(NCc1nccs1)N1CCN(c2cc(F)ccc2F)CC1 ZINC000156180558 672243168 /nfs/dbraw/zinc/24/31/68/672243168.db2.gz PJOOELZQHMRJHI-UHFFFAOYSA-N 1 0 351.426 2.319 20 30 FEEDRO CC[NH+]=C(NCc1ccccc1CC)N1CCS(=O)(=O)C(C)(C)C1 ZINC000158598693 672270805 /nfs/dbraw/zinc/27/08/05/672270805.db2.gz NFJGVWYHBKXFAW-UHFFFAOYSA-N 1 0 351.516 2.224 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)CSCc2ccc(F)cc2)c1C#N ZINC000611166394 676022254 /nfs/dbraw/zinc/02/22/54/676022254.db2.gz LCTLCNNFXXFOSY-UHFFFAOYSA-N 1 0 361.446 2.444 20 30 FEEDRO N#CCCn1cc(C[NH2+]CC[C@@H](O)C(F)(F)F)c(-c2ccncc2)n1 ZINC000589196564 672513126 /nfs/dbraw/zinc/51/31/26/672513126.db2.gz NSMRULYOFFQXCU-CQSZACIVSA-N 1 0 353.348 2.262 20 30 FEEDRO C[N@@H+]1CCC[C@@]2(CCN(S(=O)(=O)c3cccc(Cl)c3C#N)C2)C1 ZINC000590165489 672563061 /nfs/dbraw/zinc/56/30/61/672563061.db2.gz ZVAWAFPRRVOQOR-MRXNPFEDSA-N 1 0 353.875 2.318 20 30 FEEDRO C[N@@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)CSCc1ccc(C#N)cc1 ZINC000590402447 672579410 /nfs/dbraw/zinc/57/94/10/672579410.db2.gz UGDDQPCEAASZBH-ZWKOTPCHSA-N 1 0 359.495 2.113 20 30 FEEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]CCc1ccc(S(N)(=O)=O)cc1 ZINC000611390706 676035234 /nfs/dbraw/zinc/03/52/34/676035234.db2.gz PWSMVIVZTGZURK-LJQANCHMSA-N 1 0 355.463 2.415 20 30 FEEDRO C=CCn1c(C2CC2)nn(CN2CC[N@@H+](CC(C)(C)O)C[C@H]2C)c1=S ZINC000188842752 672599160 /nfs/dbraw/zinc/59/91/60/672599160.db2.gz TYNCDQNQDBTAQH-CQSZACIVSA-N 1 0 365.547 2.212 20 30 FEEDRO N#Cc1cc(Cl)c(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)c(Cl)c1 ZINC000590684919 672601904 /nfs/dbraw/zinc/60/19/04/672601904.db2.gz LUDRSBSGJFBGRC-GFCCVEGCSA-N 1 0 356.253 2.442 20 30 FEEDRO C[NH+](C)CCn1ccc(NC(=O)C#Cc2ccc(C(F)(F)F)cc2)n1 ZINC000190762910 672649045 /nfs/dbraw/zinc/64/90/45/672649045.db2.gz XTXUFERZWVZXMF-UHFFFAOYSA-N 1 0 350.344 2.454 20 30 FEEDRO C[C@H](CO)C[NH+]1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 ZINC000611530640 676042734 /nfs/dbraw/zinc/04/27/34/676042734.db2.gz DNNZILOWXDJQPZ-BBRMVZONSA-N 1 0 352.276 2.260 20 30 FEEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000591292096 672666670 /nfs/dbraw/zinc/66/66/70/672666670.db2.gz HCWFFQAUCCEXNM-UONOGXRCSA-N 1 0 360.483 2.217 20 30 FEEDRO CC[C@@H]1CN(C(=O)C(=O)Nc2ccccc2SCCC#N)CC[C@H]1[NH3+] ZINC000591304008 672667621 /nfs/dbraw/zinc/66/76/21/672667621.db2.gz JQWSYSFRINEAGE-ZIAGYGMSSA-N 1 0 360.483 2.217 20 30 FEEDRO N#CCCC[C@H]([NH3+])C(=O)N1CCc2c(F)cc(Br)cc2C1 ZINC000591630955 672695949 /nfs/dbraw/zinc/69/59/49/672695949.db2.gz YGUFICQTMXZOOC-AWEZNQCLSA-N 1 0 354.223 2.494 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H]2CCc3cc(O)ccc3C2)cc1 ZINC000591763562 672709022 /nfs/dbraw/zinc/70/90/22/672709022.db2.gz FHDYXDUUKUJZNQ-QGZVFWFLSA-N 1 0 356.447 2.185 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@H]2CCc3cc(O)ccc3C2)cc1 ZINC000591763561 672709144 /nfs/dbraw/zinc/70/91/44/672709144.db2.gz FHDYXDUUKUJZNQ-KRWDZBQOSA-N 1 0 356.447 2.185 20 30 FEEDRO CC[C@H]1CN(S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)CC[C@H]1[NH3+] ZINC000592382224 672795283 /nfs/dbraw/zinc/79/52/83/672795283.db2.gz MWWBGRAEXHPQDD-IINYFYTJSA-N 1 0 361.389 2.325 20 30 FEEDRO N#Cc1cnn2c1NC[C@H](C[NH+]1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1)C2 ZINC000592505079 672809273 /nfs/dbraw/zinc/80/92/73/672809273.db2.gz RHUKDSLXUSQTBJ-MIMYLULJSA-N 1 0 367.297 2.469 20 30 FEEDRO C[NH+]=C(NCc1nc(-c2ccc(Cl)cc2)no1)N(C)C[C@@H]1CCOC1 ZINC000261647421 672900138 /nfs/dbraw/zinc/90/01/38/672900138.db2.gz MCIMBHUGSLGNSN-LBPRGKRZSA-N 1 0 363.849 2.434 20 30 FEEDRO C[NH+]=C(NC[C@](C)(O)c1cccs1)N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000261744421 672902054 /nfs/dbraw/zinc/90/20/54/672902054.db2.gz MUZXURNZOBSENL-OGIUKLMXSA-N 1 0 351.516 2.324 20 30 FEEDRO C[NH+]=C(NCc1ccnc(C)n1)NC[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000261813269 672903517 /nfs/dbraw/zinc/90/35/17/672903517.db2.gz HTYFYRQVLMZNJK-HNNXBMFYSA-N 1 0 368.268 2.490 20 30 FEEDRO C[NH+]=C(NCc1cc(Cl)c2c(c1)OCCO2)N1CC[C@]2(CCOC2)C1 ZINC000261940070 672905627 /nfs/dbraw/zinc/90/56/27/672905627.db2.gz DIUBHKDTXDXSTP-SFHVURJKSA-N 1 0 365.861 2.299 20 30 FEEDRO C[NH+]=C(NCCOc1ncccc1F)N1CCN(c2cccs2)CC1 ZINC000261987711 672906820 /nfs/dbraw/zinc/90/68/20/672906820.db2.gz QMIMIXYZQJGXGV-UHFFFAOYSA-N 1 0 363.462 2.059 20 30 FEEDRO CN(C)C(=O)CNC(N[C@H]1CCOC2(CCC2)C1)=[NH+]C1CCCCC1 ZINC000262281289 672912119 /nfs/dbraw/zinc/91/21/19/672912119.db2.gz JCLPEUCXVSTUMM-INIZCTEOSA-N 1 0 350.507 2.044 20 30 FEEDRO CN(C)C(=O)CNC(=[NH+]C1CCCC1)N(C)Cc1cc(Cl)cn1C ZINC000262282117 672912312 /nfs/dbraw/zinc/91/23/12/672912312.db2.gz JHMUFCLUUIHGEA-UHFFFAOYSA-N 1 0 353.898 2.087 20 30 FEEDRO C=C(C)CNC(=[NH+]C[C@@H]1CCS(=O)(=O)C1)N1CC[C@H](C)C2(CCC2)C1 ZINC000262456465 672916484 /nfs/dbraw/zinc/91/64/84/672916484.db2.gz WUUFCLYUBZJWFH-IRXDYDNUSA-N 1 0 367.559 2.455 20 30 FEEDRO C[NH+]=C(NCC1(O)CCC1)N[C@@H]1CCN(c2cc(Cl)ccc2OC)C1 ZINC000262806538 672921241 /nfs/dbraw/zinc/92/12/41/672921241.db2.gz SYLOCQNIOYCOQO-CQSZACIVSA-N 1 0 366.893 2.007 20 30 FEEDRO CC[NH+]=C(NCC1CCSCC1)N[C@H]1CCCN(c2cnn(C)c2)C1 ZINC000262826451 672921687 /nfs/dbraw/zinc/92/16/87/672921687.db2.gz YGYVRWVWBIEINE-INIZCTEOSA-N 1 0 364.563 2.087 20 30 FEEDRO Cn1cc(Br)c(CNC(=[NH2+])N[C@@H]2CCOc3ccccc32)n1 ZINC000263069506 672926748 /nfs/dbraw/zinc/92/67/48/672926748.db2.gz GMCIZEOSCDFSDB-GFCCVEGCSA-N 1 0 364.247 2.111 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)S(=O)(=O)c1ccsc1C#N ZINC000593531720 672935212 /nfs/dbraw/zinc/93/52/12/672935212.db2.gz UWJSOQNINKBPDK-UHFFFAOYSA-N 1 0 374.491 2.244 20 30 FEEDRO C[NH+](C)CCOc1cccc(CNS(=O)(=O)c2ccsc2C#N)c1 ZINC000593532902 672935931 /nfs/dbraw/zinc/93/59/31/672935931.db2.gz VHBNJVBEHSCTHJ-UHFFFAOYSA-N 1 0 365.480 2.039 20 30 FEEDRO CC(C)(C#N)c1ccc(S(=O)(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)cc1 ZINC000593728721 672983581 /nfs/dbraw/zinc/98/35/81/672983581.db2.gz AMVNAPKKHXXQKB-INIZCTEOSA-N 1 0 361.511 2.498 20 30 FEEDRO [NH2+]=C(NC[C@@H](c1c(F)cccc1Cl)N1CCCC1)N1CCOCC1 ZINC000303878698 673018090 /nfs/dbraw/zinc/01/80/90/673018090.db2.gz GAXYEMJVTWZVBD-HNNXBMFYSA-N 1 0 354.857 2.263 20 30 FEEDRO CCOCCCNC(=[NH2+])NCCC(=O)Nc1ccc(Br)cc1 ZINC000303880226 673018165 /nfs/dbraw/zinc/01/81/65/673018165.db2.gz KDUZRRUBAFLPGX-UHFFFAOYSA-N 1 0 371.279 2.109 20 30 FEEDRO CCN(CC)C(=[NH2+])NCc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1 ZINC000303892102 673018624 /nfs/dbraw/zinc/01/86/24/673018624.db2.gz NKNIKHFUHMTARY-OAHLLOKOSA-N 1 0 366.531 2.264 20 30 FEEDRO CCOCCCNC(=[NH2+])NC[C@H](c1ccccc1Cl)N1CCOCC1 ZINC000303911586 673018962 /nfs/dbraw/zinc/01/89/62/673018962.db2.gz ZSOKRUYOYPYAIJ-QGZVFWFLSA-N 1 0 368.909 2.044 20 30 FEEDRO C[C@@H]1CCCN(C(=[NH2+])NCCNC(=O)c2cccc(Br)c2)C1 ZINC000303974267 673019203 /nfs/dbraw/zinc/01/92/03/673019203.db2.gz HVRAEDHFZXMFAU-GFCCVEGCSA-N 1 0 367.291 2.226 20 30 FEEDRO C[C@@H]1CCCN(C(=[NH2+])NC[C@@H](O)COc2ccc(C(F)(F)F)cc2)C1 ZINC000303903631 673019351 /nfs/dbraw/zinc/01/93/51/673019351.db2.gz YMGUSJDVPJPUHG-TZMCWYRMSA-N 1 0 359.392 2.492 20 30 FEEDRO CCC(C)(C)[NH+]1CCN(C(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000594315336 673056772 /nfs/dbraw/zinc/05/67/72/673056772.db2.gz NKCFZPWCLGGEQA-UHFFFAOYSA-N 1 0 362.861 2.483 20 30 FEEDRO N#Cc1ccc(NC(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c(Cl)c1 ZINC000594327973 673059151 /nfs/dbraw/zinc/05/91/51/673059151.db2.gz YHNDYGZQASKGTG-CVEARBPZSA-N 1 0 360.845 2.283 20 30 FEEDRO C[C@H](Cn1cccn1)NC(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000328639066 673064326 /nfs/dbraw/zinc/06/43/26/673064326.db2.gz BWYDLQAILBJVET-OAHLLOKOSA-N 1 0 351.520 2.137 20 30 FEEDRO COc1ccc(Br)c(CNC(=O)[C@H]([NH3+])CCCCC#N)c1 ZINC000594426931 673070889 /nfs/dbraw/zinc/07/08/89/673070889.db2.gz GLROMILCAISKLO-CQSZACIVSA-N 1 0 354.248 2.485 20 30 FEEDRO CCN(CC(=O)Nc1c(F)cccc1F)C(=O)[C@@H]([NH3+])CCCCC#N ZINC000594424974 673070907 /nfs/dbraw/zinc/07/09/07/673070907.db2.gz FLTNZOOFBQUDBH-AWEZNQCLSA-N 1 0 352.385 2.163 20 30 FEEDRO CCCC(=O)N1CSC[C@H]1C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000329084419 673071967 /nfs/dbraw/zinc/07/19/67/673071967.db2.gz FRGGTWRWXBOAQQ-HNNXBMFYSA-N 1 0 369.531 2.290 20 30 FEEDRO CCCC(=O)N1CCC[C@@H]1C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000329096802 673072002 /nfs/dbraw/zinc/07/20/02/673072002.db2.gz LHDKGURZUGRDTF-MRXNPFEDSA-N 1 0 351.491 2.379 20 30 FEEDRO CCOC(=O)c1csc([C@H]2CCCN2C(=O)[C@@H]([NH3+])CCCCC#N)n1 ZINC000594456558 673074817 /nfs/dbraw/zinc/07/48/17/673074817.db2.gz QLINNNMSLZLVQW-GXTWGEPZSA-N 1 0 364.471 2.395 20 30 FEEDRO O=C(Nc1csc(-c2ccccn2)n1)N1CC[C@H](N2CCOCC2)C1 ZINC000329816925 673084136 /nfs/dbraw/zinc/08/41/36/673084136.db2.gz FPUAVOTTYLKUAY-ZDUSSCGKSA-N 1 0 359.455 2.157 20 30 FEEDRO N#Cc1ccc(F)c(CS(=O)(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c1 ZINC000594483474 673087114 /nfs/dbraw/zinc/08/71/14/673087114.db2.gz LJOUMGSRPPIIRK-SJORKVTESA-N 1 0 351.447 2.134 20 30 FEEDRO CNS(=O)(=O)c1cccc(C[NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)c1 ZINC000728711741 673209786 /nfs/dbraw/zinc/20/97/86/673209786.db2.gz PFIGGRLCCPAGFS-AWEZNQCLSA-N 1 0 359.451 2.175 20 30 FEEDRO N#CCCC[C@H]([NH3+])C(=O)N1CCOC[C@H]1c1cccc(Br)c1 ZINC000595256911 673214379 /nfs/dbraw/zinc/21/43/79/673214379.db2.gz FFZQOBBNHICSQA-GJZGRUSLSA-N 1 0 366.259 2.370 20 30 FEEDRO C#CC[N@H+]1CCC[C@H]1COC(=O)c1cc2c(c(Br)c1)OCO2 ZINC000729812350 673249345 /nfs/dbraw/zinc/24/93/45/673249345.db2.gz SQEDJYJRRCRCJP-LBPRGKRZSA-N 1 0 366.211 2.432 20 30 FEEDRO CO[C@@H]1CCC[C@@H]([C@H](CO)[NH2+]CC(=O)Nc2sc(C)c(C)c2C#N)C1 ZINC000595631322 673276270 /nfs/dbraw/zinc/27/62/70/673276270.db2.gz HENBHGLJLRXXMF-FMKPAKJESA-N 1 0 365.499 2.331 20 30 FEEDRO CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+]CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000595630720 673276276 /nfs/dbraw/zinc/27/62/76/673276276.db2.gz BHWXFBVMVDMGON-XGWLTEMNSA-N 1 0 365.861 2.306 20 30 FEEDRO C[NH+](C)CCCNC(=S)NN=C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000731930794 673348612 /nfs/dbraw/zinc/34/86/12/673348612.db2.gz MJFBUONTJFVBOQ-UHFFFAOYSA-N 1 0 371.551 2.226 20 30 FEEDRO N#Cc1cccc(CNC(=O)C[N@H+](C[C@H]2CCCO2)[C@H]2CCSC2)c1 ZINC000536348190 673368113 /nfs/dbraw/zinc/36/81/13/673368113.db2.gz HHIYFSYDFDFHBS-ZWKOTPCHSA-N 1 0 359.495 2.161 20 30 FEEDRO C=CCOc1ccc(/C=C/C(=O)NCC[NH+]2CCSCC2)cc1OC ZINC000732777468 673381761 /nfs/dbraw/zinc/38/17/61/673381761.db2.gz OBSQJXRXWCPGEC-FNORWQNLSA-N 1 0 362.495 2.438 20 30 FEEDRO C=CCCSCCNC(=O)N1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000596717011 673406966 /nfs/dbraw/zinc/40/69/66/673406966.db2.gz DEINSSQSCACQPU-UHFFFAOYSA-N 1 0 368.591 2.497 20 30 FEEDRO C=CCC[C@@H]([NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000537969902 673415830 /nfs/dbraw/zinc/41/58/30/673415830.db2.gz XECRZPJMKXCAII-CQSZACIVSA-N 1 0 353.444 2.208 20 30 FEEDRO CS[C@@H]1CN(c2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)C[C@@H]1[NH+](C)C ZINC000538096298 673421914 /nfs/dbraw/zinc/42/19/14/673421914.db2.gz IVDOJHNIJVBTTF-JKSUJKDBSA-N 1 0 357.439 2.496 20 30 FEEDRO C[C@@H]1C[N@H+](Cc2ccccn2)CCC1=NNC(=S)NCC(F)(F)F ZINC000734365564 673461239 /nfs/dbraw/zinc/46/12/39/673461239.db2.gz LRNHDSHYDUQEOT-LLVKDONJSA-N 1 0 359.421 2.306 20 30 FEEDRO C=CCC[C@@H](CC)[NH2+][C@H](C)C(=O)Nc1cccc(S(=O)(=O)NC)c1 ZINC000539075871 673472911 /nfs/dbraw/zinc/47/29/11/673472911.db2.gz LWMBZPDTQVJNKI-ZIAGYGMSSA-N 1 0 353.488 2.256 20 30 FEEDRO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)Cc1ccc(Br)cc1C#N ZINC000597698173 673500327 /nfs/dbraw/zinc/50/03/27/673500327.db2.gz GPQHJFMTUWKFJN-NHYWBVRUSA-N 1 0 350.260 2.414 20 30 FEEDRO C[C@H](CCNC(=O)COc1cccc(Br)c1C#N)[NH+](C)C ZINC000597992418 673527655 /nfs/dbraw/zinc/52/76/55/673527655.db2.gz KJABUEGLAOJUPL-LLVKDONJSA-N 1 0 354.248 2.156 20 30 FEEDRO CC(C)(C#N)C[C@@H](O)C[NH2+][C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000598722966 673603393 /nfs/dbraw/zinc/60/33/93/673603393.db2.gz FELOYHHDQPIUOO-DOMZBBRYSA-N 1 0 353.825 2.475 20 30 FEEDRO CC(C)(C#N)C[C@@H](O)C[NH2+]C[C@@H](O)COc1ccccc1Br ZINC000598730600 673604336 /nfs/dbraw/zinc/60/43/36/673604336.db2.gz XCVBPMUWAGZQIR-CHWSQXEVSA-N 1 0 371.275 2.079 20 30 FEEDRO CC(CCc1ccccc1[N+](=O)[O-])=NNC(=S)NCCC[NH+](C)C ZINC000741463756 673687850 /nfs/dbraw/zinc/68/78/50/673687850.db2.gz GZCHWVSMPFNWCH-UHFFFAOYSA-N 1 0 351.476 2.319 20 30 FEEDRO N#Cc1ccc(CNC(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)c(F)c1 ZINC000599911723 673727609 /nfs/dbraw/zinc/72/76/09/673727609.db2.gz FKECBMCEWOAYLD-CHWSQXEVSA-N 1 0 358.339 2.366 20 30 FEEDRO C[NH+](C)CCOc1cccc(CNS(=O)(=O)CC2(C#N)CCCC2)c1 ZINC000546094510 673791629 /nfs/dbraw/zinc/79/16/29/673791629.db2.gz KRFNWUYOOYBQAA-UHFFFAOYSA-N 1 0 365.499 2.130 20 30 FEEDRO N#CC1(C[C@H](O)C[NH2+]C[C@@H](c2ccccc2Cl)N2CCOCC2)CC1 ZINC000600718212 673794249 /nfs/dbraw/zinc/79/42/49/673794249.db2.gz OJXWEMQXOYXCRR-YJBOKZPZSA-N 1 0 363.889 2.358 20 30 FEEDRO COc1cc(F)cc(C[C@@H](C)[NH2+]C[C@H](O)CC2(C#N)CCOCC2)c1 ZINC000600734772 673795574 /nfs/dbraw/zinc/79/55/74/673795574.db2.gz GADBZDGAGCYPBE-RHSMWYFYSA-N 1 0 350.434 2.426 20 30 FEEDRO N#CC1(C[C@H](O)C[NH2+]C[C@H](O)COc2ccc(C(F)(F)F)cc2)CC1 ZINC000600741673 673795895 /nfs/dbraw/zinc/79/58/95/673795895.db2.gz GWFGCJFYHQCPNX-KBPBESRZSA-N 1 0 358.360 2.089 20 30 FEEDRO N#CC1(C[C@@H](O)C[NH2+]CCc2ccc(I)cc2)CC1 ZINC000600746970 673796333 /nfs/dbraw/zinc/79/63/33/673796333.db2.gz VDNUTMPZVNLLMH-CQSZACIVSA-N 1 0 370.234 2.478 20 30 FEEDRO CN(CCC#N)C[C@H](O)C[NH2+][C@@H](CCO)c1cc(Cl)cc(Cl)c1 ZINC000600758404 673797085 /nfs/dbraw/zinc/79/70/85/673797085.db2.gz DGVPTZLEQZZIGV-CVEARBPZSA-N 1 0 360.285 2.213 20 30 FEEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCC(=O)[C@@H]1CCOC1 ZINC000547248463 673838161 /nfs/dbraw/zinc/83/81/61/673838161.db2.gz LTHKSMAVMGAQRK-OAHLLOKOSA-N 1 0 364.515 2.190 20 30 FEEDRO C[NH+](C)C[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1CC#N ZINC000601312694 673841298 /nfs/dbraw/zinc/84/12/98/673841298.db2.gz NEZOEYUHECSLES-GOSISDBHSA-N 1 0 357.479 2.204 20 30 FEEDRO N#Cc1cc(S(=O)(=O)N2CCCCC[C@H]([NH3+])C2)ccc1C(F)(F)F ZINC000601344910 673845677 /nfs/dbraw/zinc/84/56/77/673845677.db2.gz IGFKITNGTOEDNW-LBPRGKRZSA-N 1 0 361.389 2.469 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2CCC[C@@H]3C[NH2+]CC[C@H]32)cc1C(F)(F)F ZINC000601351700 673846628 /nfs/dbraw/zinc/84/66/28/673846628.db2.gz MJXFMMUPZBHVQM-IUODEOHRSA-N 1 0 373.400 2.340 20 30 FEEDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2c(C)cc(F)cc2C#N)[C@@H](C)C1 ZINC000601357018 673847600 /nfs/dbraw/zinc/84/76/00/673847600.db2.gz YGJLMWQUTYQBDV-XJKSGUPXSA-N 1 0 353.463 2.357 20 30 FEEDRO CC[NH+](CC)C[C@H]1CCN(S(=O)(=O)c2c(C)cc(F)cc2C#N)C1 ZINC000601359730 673847926 /nfs/dbraw/zinc/84/79/26/673847926.db2.gz YBEFOTOWIXVJNB-CQSZACIVSA-N 1 0 353.463 2.358 20 30 FEEDRO Cc1cc(F)cc(C#N)c1S(=O)(=O)N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000601414920 673858495 /nfs/dbraw/zinc/85/84/95/673858495.db2.gz MFAQSRJUQONQFC-CZUORRHYSA-N 1 0 351.447 2.253 20 30 FEEDRO CCC1([NH+]2CCCC2)CCN(S(=O)(=O)c2cnc(C)c(C#N)c2)CC1 ZINC000601496683 673870516 /nfs/dbraw/zinc/87/05/16/673870516.db2.gz ISYQLCXYBOAHQG-UHFFFAOYSA-N 1 0 362.499 2.291 20 30 FEEDRO N#CCc1ccccc1S(=O)(=O)N1CCCN(c2cc[nH+]cc2)CC1 ZINC000601522693 673877002 /nfs/dbraw/zinc/87/70/02/673877002.db2.gz SOUSRHUCFXUVJU-UHFFFAOYSA-N 1 0 356.451 2.049 20 30 FEEDRO N#CCCSc1ccccc1NC(=O)C(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000601576964 673883675 /nfs/dbraw/zinc/88/36/75/673883675.db2.gz PBCGUQCFULADFX-AWEZNQCLSA-N 1 0 360.483 2.361 20 30 FEEDRO N#Cc1cc(N2CC[NH+](C3CCOCC3)CC2)ncc1Br ZINC000603305200 673923973 /nfs/dbraw/zinc/92/39/73/673923973.db2.gz PNTVDTAAXHISOR-UHFFFAOYSA-N 1 0 351.248 2.017 20 30 FEEDRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+]C[C@@H](C#N)CCC#N)s1 ZINC000548786989 673996121 /nfs/dbraw/zinc/99/61/21/673996121.db2.gz QCXLKLOTLHVCHA-CQSZACIVSA-N 1 0 368.528 2.354 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)COc1ccc(F)cc1Br ZINC000818609114 675228457 /nfs/dbraw/zinc/22/84/57/675228457.db2.gz LCJXMLOAWBYOAN-UHFFFAOYSA-N 1 0 357.223 2.038 20 30 FEEDRO CN(CCCC[NH+](C)C)C(=O)C(=O)Nc1ccccc1SCCC#N ZINC000615319800 676211800 /nfs/dbraw/zinc/21/18/00/676211800.db2.gz RDVXMFYHCURRAU-UHFFFAOYSA-N 1 0 362.499 2.431 20 30 FEEDRO C=CCOc1cccc(C[NH2+]C[C@H]2CCCCN2S(=O)(=O)N(C)C)c1 ZINC000567079615 675265370 /nfs/dbraw/zinc/26/53/70/675265370.db2.gz RPADMRUSAWEZAJ-QGZVFWFLSA-N 1 0 367.515 2.002 20 30 FEEDRO O=[N+]([O-])c1ccc(N=NC2CC[NH+](CCO)CC2)c(Br)c1 ZINC000819809243 675316167 /nfs/dbraw/zinc/31/61/67/675316167.db2.gz CXKQMKCWCQYSOY-UHFFFAOYSA-N 1 0 357.208 2.213 20 30 FEEDRO CC1(C)Oc2ccsc2[C@H](NCC(=O)NC2(C#N)CCCCC2)[C@H]1O ZINC000821311455 675425985 /nfs/dbraw/zinc/42/59/85/675425985.db2.gz ACFVWURGEKXPSY-GOEBONIOSA-N 1 0 363.483 2.253 20 30 FEEDRO C#CCN(CC(=O)NC1CC[NH+](C(C)(C)C)CC1)C(=O)OC(C)(C)C ZINC000822843558 675510634 /nfs/dbraw/zinc/51/06/34/675510634.db2.gz KEUUKVIWDSCCET-UHFFFAOYSA-N 1 0 351.491 2.236 20 30 FEEDRO C#CCN(CC(=O)N(C)[C@@H]1CC[N@@H+](CC)[C@H](C)C1)C(=O)OC(C)(C)C ZINC000828490356 675823496 /nfs/dbraw/zinc/82/34/96/675823496.db2.gz CSWCXPZBZZEAFV-HZPDHXFCSA-N 1 0 351.491 2.188 20 30 FEEDRO C=C(C[NH+](C)C)C(=O)N1CCC[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@H]21 ZINC000829376629 675877635 /nfs/dbraw/zinc/87/76/35/675877635.db2.gz IKJCSZKNJWFVKK-HZPDHXFCSA-N 1 0 351.491 2.352 20 30 FEEDRO C=CCOc1c(Cl)cc(C[NH2+][C@H]2CCC(=O)N(C)C2=O)cc1OC ZINC000623554735 676540496 /nfs/dbraw/zinc/54/04/96/676540496.db2.gz LGUCQFKQICFYJJ-ZDUSSCGKSA-N 1 0 352.818 2.150 20 30 FEEDRO C[N@H+](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)CC1(C)COC1 ZINC000625792324 676672812 /nfs/dbraw/zinc/67/28/12/676672812.db2.gz VMCFYHQMRIWOSR-UHFFFAOYSA-N 1 0 354.372 2.141 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)c2nc(C(C)C)ncc2Br)CC1 ZINC000830169079 677028511 /nfs/dbraw/zinc/02/85/11/677028511.db2.gz RTIWTKTVPPOOBW-UHFFFAOYSA-N 1 0 365.275 2.190 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H](CC)C(=O)NCc2cccs2)CC1 ZINC000645232472 677255991 /nfs/dbraw/zinc/25/59/91/677255991.db2.gz AUTVMHRMHOMIHK-INIZCTEOSA-N 1 0 364.515 2.093 20 30 FEEDRO CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](CCOCC(F)(F)C(F)(F)F)C1 ZINC000646113019 677279488 /nfs/dbraw/zinc/27/94/88/677279488.db2.gz XCVOPSVTDJGNFK-VIFPVBQESA-N 1 0 372.256 2.201 20 30 FEEDRO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000646847015 677291421 /nfs/dbraw/zinc/29/14/21/677291421.db2.gz YBBMSWVPOYDXSU-IAQYHMDHSA-N 1 0 358.360 2.458 20 30 FEEDRO C#C[C@@H](NC(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1)[C@@H]1CCCO1 ZINC000838558126 680701262 /nfs/dbraw/zinc/70/12/62/680701262.db2.gz DKEOVEWFUCDTSR-CABCVRRESA-N 1 0 361.408 2.225 20 30 FEEDRO CC#CCN(C)C(=O)C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000651828860 677455252 /nfs/dbraw/zinc/45/52/52/677455252.db2.gz CEGANLIBMMUXIM-UHFFFAOYSA-N 1 0 359.495 2.295 20 30 FEEDRO C=CC[C@@H]1CCC[N@@H+](CC(=O)Nc2cc(S(N)(=O)=O)cc(C)c2C)C1 ZINC000661378517 678472383 /nfs/dbraw/zinc/47/23/83/678472383.db2.gz HYMTYXKAPUAIPS-OAHLLOKOSA-N 1 0 365.499 2.177 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N(C)CCCN(C)C(=O)OC(C)(C)C)CC1 ZINC000839868166 680784674 /nfs/dbraw/zinc/78/46/74/680784674.db2.gz GPJPVVDTOOLLGP-UHFFFAOYSA-N 1 0 351.491 2.047 20 30 FEEDRO C=CCC1([NH2+]CC(=O)NCC(=O)Nc2ccc(F)c(F)c2)CCCC1 ZINC000661867733 678544484 /nfs/dbraw/zinc/54/44/84/678544484.db2.gz XQBAIYYKXYRDTI-UHFFFAOYSA-N 1 0 351.397 2.498 20 30 FEEDRO C=CC[C@]1(C(=O)N[C@@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)CCC[NH2+]1 ZINC000662801310 678663105 /nfs/dbraw/zinc/66/31/05/678663105.db2.gz RXVQJFSNKVHZDB-CRAIPNDOSA-N 1 0 365.836 2.399 20 30 FEEDRO C[N@H+](CC(=O)NC1CCN(c2ccccc2C#N)CC1)[C@@H]1CCSC1 ZINC000764061484 680799213 /nfs/dbraw/zinc/79/92/13/680799213.db2.gz GVYXSAFUVSHRMG-QGZVFWFLSA-N 1 0 358.511 2.081 20 30 FEEDRO C[C@H](CCC[NH3+])NC(=O)C(=O)Nc1cccc(C#Cc2cccs2)c1 ZINC000667645770 679120220 /nfs/dbraw/zinc/12/02/20/679120220.db2.gz RMAMNMOEKWUEIP-CQSZACIVSA-N 1 0 355.463 2.330 20 30 FEEDRO C[C@@H](CCC[NH3+])NC(=O)C(=O)Nc1cccc(C#Cc2cccs2)c1 ZINC000667645769 679120221 /nfs/dbraw/zinc/12/02/21/679120221.db2.gz RMAMNMOEKWUEIP-AWEZNQCLSA-N 1 0 355.463 2.330 20 30 FEEDRO CCOC(=O)[C@@H]1[C@H]([NH2+]CC(C)(C)CC#N)CCN1C(=O)OC(C)(C)C ZINC000840788257 680842913 /nfs/dbraw/zinc/84/29/13/680842913.db2.gz WYKNXCKHWLRXMG-KGLIPLIRSA-N 1 0 353.463 2.457 20 30 FEEDRO C=CCC[C@@H](O)C[NH2+][C@@H](CO)c1ccccc1I ZINC000934828152 681643374 /nfs/dbraw/zinc/64/33/74/681643374.db2.gz IAWOBOPGCIALLF-RISCZKNCSA-N 1 0 361.223 2.241 20 30 FEEDRO CC(C)[C@](C)(C#N)NC(=O)C[N@H+](C)C1CC(NC(=O)OC(C)(C)C)C1 ZINC000831232252 679951498 /nfs/dbraw/zinc/95/14/98/679951498.db2.gz KKCBSCDRDIDKFR-JRSKDTKFSA-N 1 0 352.479 2.028 20 30 FEEDRO Cc1oc(-n2cccc2)c(C#N)c1C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000748434346 679963375 /nfs/dbraw/zinc/96/33/75/679963375.db2.gz KITNZORLUJPCQF-GOSISDBHSA-N 1 0 358.467 2.418 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+]C[C@@H]2COc3ccccc3C2)cc1 ZINC000748450112 679964829 /nfs/dbraw/zinc/96/48/29/679964829.db2.gz OTZCLBHYHJKAOC-MRXNPFEDSA-N 1 0 356.447 2.173 20 30 FEEDRO COC(=O)C1(C#N)CC[NH+](CCC(=O)NCc2ccccc2Cl)CC1 ZINC000831691655 680026166 /nfs/dbraw/zinc/02/61/66/680026166.db2.gz SVJLFVOGJOGWJN-UHFFFAOYSA-N 1 0 363.845 2.125 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](CCC2CCOCC2)C1 ZINC001015819869 680053089 /nfs/dbraw/zinc/05/30/89/680053089.db2.gz SFXQNGSLTGPVHU-QYZOEREBSA-N 1 0 350.503 2.365 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC12CC[NH+](CCc1ccns1)CC2 ZINC001016837207 680065073 /nfs/dbraw/zinc/06/50/73/680065073.db2.gz QHEBVCOFZONEPB-IKGGRYGDSA-N 1 0 361.511 2.247 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCc1ccns1 ZINC001021384852 680152985 /nfs/dbraw/zinc/15/29/85/680152985.db2.gz DBIPQPYNTNJHQJ-GPFKCLTHSA-N 1 0 361.511 2.388 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCc2ccns2)CC1(C)C ZINC000977317979 680160116 /nfs/dbraw/zinc/16/01/16/680160116.db2.gz PWODNIRCGRYKMB-BBWFWOEESA-N 1 0 363.527 2.493 20 30 FEEDRO C=C(C[NH+](C)C)C(=O)Nc1ccc(I)cc1OC ZINC000833859900 680200563 /nfs/dbraw/zinc/20/05/63/680200563.db2.gz VXFHUXHPKZMLEQ-UHFFFAOYSA-N 1 0 360.195 2.356 20 30 FEEDRO Cn1c(C(=O)N[C@H]2C[NH2+]C[C@H]2C#N)ccc1-c1ccc(Br)cc1 ZINC000834493089 680234463 /nfs/dbraw/zinc/23/44/63/680234463.db2.gz AJQJTYCATNPRQV-OCCSQVGLSA-N 1 0 373.254 2.296 20 30 FEEDRO Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000834499608 680235401 /nfs/dbraw/zinc/23/54/01/680235401.db2.gz KJWWLVFQASMXJO-ZBFHGGJFSA-N 1 0 357.845 2.043 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[N@H+](CCC2CCOCC2)CC1 ZINC000982173754 680272559 /nfs/dbraw/zinc/27/25/59/680272559.db2.gz QKQMIDYJOCAFLX-OALUTQOASA-N 1 0 350.503 2.319 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@H](C[NH2+]Cc2snnc2C)C1 ZINC001024195335 680283899 /nfs/dbraw/zinc/28/38/99/680283899.db2.gz AFICKUGREGHBRF-ZOBUZTSGSA-N 1 0 364.515 2.156 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCCC[N@@H+]1CC1CCOCC1 ZINC001024443254 680289613 /nfs/dbraw/zinc/28/96/13/680289613.db2.gz FXLRPSLWCZPVTG-QRVBRYPASA-N 1 0 350.503 2.365 20 30 FEEDRO CC[NH+](CC)CC#C[C@H](C)OC(=O)c1c(Br)nc2n1CCC2 ZINC000835232697 680309347 /nfs/dbraw/zinc/30/93/47/680309347.db2.gz WBMLEGHTWTZWEJ-LBPRGKRZSA-N 1 0 368.275 2.482 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]Cc1csnc1OC ZINC001025090972 680313154 /nfs/dbraw/zinc/31/31/54/680313154.db2.gz VVFJIVWQFBRFJB-OAGGEKHMSA-N 1 0 365.499 2.214 20 30 FEEDRO C=CCN1C(=S)N=NC1c1sc(NC(=O)CC(C)(C)C[NH3+])nc1C ZINC000912214379 685331813 /nfs/dbraw/zinc/33/18/13/685331813.db2.gz LETOTYXCDCVMHT-UHFFFAOYSA-N 1 0 366.516 2.498 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]Cc2csnc2OC)C1 ZINC001027117395 680355556 /nfs/dbraw/zinc/35/55/56/680355556.db2.gz XJQZYGPQPASOSJ-KBMXLJTQSA-N 1 0 365.499 2.071 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC(C[NH2+][C@H](C)c2csnn2)CC1 ZINC000997782097 680365821 /nfs/dbraw/zinc/36/58/21/680365821.db2.gz PYLCUQHZCIXNDS-UNEWFSDZSA-N 1 0 364.515 2.409 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CCCC1CCOCC1 ZINC001028146980 680370616 /nfs/dbraw/zinc/37/06/16/680370616.db2.gz NWQSTBADJMDYKX-OTWHNJEPSA-N 1 0 350.503 2.365 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC([C@@H](C)[NH2+]Cc2cnns2)CC1 ZINC001029156654 680387761 /nfs/dbraw/zinc/38/77/61/680387761.db2.gz KRZIGCGTCKPSKK-COXVUDFISA-N 1 0 364.515 2.236 20 30 FEEDRO C[N@H+](CCCNc1cccc(S(N)(=O)=O)c1C#N)Cc1ccccc1 ZINC000754973087 680390869 /nfs/dbraw/zinc/39/08/69/680390869.db2.gz HTLDMIBRSNRBDD-UHFFFAOYSA-N 1 0 358.467 2.140 20 30 FEEDRO N#Cc1c(NC2CC[NH+](C3CCCCC3)CC2)cccc1S(N)(=O)=O ZINC000755001264 680393504 /nfs/dbraw/zinc/39/35/04/680393504.db2.gz FKMPGHBHJQXLEH-UHFFFAOYSA-N 1 0 362.499 2.415 20 30 FEEDRO C[C@@H]1[C@H](C(=O)NCC2CN(CC#Cc3ccc(Cl)cc3)C2)CC[N@@H+]1C ZINC001031681504 680406182 /nfs/dbraw/zinc/40/61/82/680406182.db2.gz VSWBBUJPVMDQLW-DNVCBOLYSA-N 1 0 359.901 2.080 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1ncc(Cl)n1C ZINC001034941985 680441202 /nfs/dbraw/zinc/44/12/02/680441202.db2.gz SXERPRMJFONIMR-KFWWJZLASA-N 1 0 366.893 2.135 20 30 FEEDRO C[NH+]1CCC([C@H]2CCN(S(=O)(=O)c3cccc(F)c3C#N)C2)CC1 ZINC000755975321 680449497 /nfs/dbraw/zinc/44/94/97/680449497.db2.gz RGNPHCLKEGNPTK-AWEZNQCLSA-N 1 0 351.447 2.050 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+]1CCCC1CCOCC1 ZINC001038807960 680461687 /nfs/dbraw/zinc/46/16/87/680461687.db2.gz NRWKUYSESLAABW-QYZOEREBSA-N 1 0 350.503 2.365 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC([C@@H]2CC[N@@H+](CCOC)C2)CC1 ZINC001039160087 680462704 /nfs/dbraw/zinc/46/27/04/680462704.db2.gz HAYRGCJHXKRHHL-QYZOEREBSA-N 1 0 350.503 2.175 20 30 FEEDRO C#CC[N@@H+](C)CCCNC(=O)NCc1ccc(Br)cc1OC ZINC000836410059 680465397 /nfs/dbraw/zinc/46/53/97/680465397.db2.gz LQOHTQLBPPNWGK-UHFFFAOYSA-N 1 0 368.275 2.212 20 30 FEEDRO C[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1Nc1ncc(C#N)cc1Cl ZINC001043250564 680569531 /nfs/dbraw/zinc/56/95/31/680569531.db2.gz FAAQXTLIQGEWPP-DVOMOZLQSA-N 1 0 361.877 2.207 20 30 FEEDRO C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H](C)[C@H](Nc3nc(C#N)c(Cl)s3)C2)C1 ZINC001043517058 680585476 /nfs/dbraw/zinc/58/54/76/680585476.db2.gz JRVRLTAJQPDVNH-NQBHXWOUSA-N 1 0 367.906 2.269 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)C1C[NH+](CC2CC(OCC)C2)C1 ZINC001044029483 680606469 /nfs/dbraw/zinc/60/64/69/680606469.db2.gz MDMZXWSAMJYOKA-FYOYPEGLSA-N 1 0 350.503 2.315 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1ncc(Cl)n1C ZINC001045043935 680620295 /nfs/dbraw/zinc/62/02/95/680620295.db2.gz SXERPRMJFONIMR-ZNMIVQPWSA-N 1 0 366.893 2.135 20 30 FEEDRO C#CCNC(=S)C(C(=O)c1cnn(C)c1)[n+]1ccc2c(c1)CCCC2 ZINC000759048442 680623325 /nfs/dbraw/zinc/62/33/25/680623325.db2.gz CEGZHYRONQRLFC-UHFFFAOYSA-O 1 0 353.471 2.020 20 30 FEEDRO C=C(Cl)C(C)(C)C(=O)N1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001007191463 680631412 /nfs/dbraw/zinc/63/14/12/680631412.db2.gz ZCSOKQBBHRQXMD-KHYOSLBOSA-N 1 0 367.921 2.357 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2Nc2nc(C)ns2)CC1 ZINC001045504269 680631956 /nfs/dbraw/zinc/63/19/56/680631956.db2.gz MBFZARHGOJCVIG-HZPDHXFCSA-N 1 0 361.515 2.031 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CC2(CO1)CC[NH+](CCC)CC2 ZINC001045672281 680637284 /nfs/dbraw/zinc/63/72/84/680637284.db2.gz PXHNVZKHRCPYGO-KSZLIROESA-N 1 0 350.503 2.365 20 30 FEEDRO C=C(Br)CN1CCC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001007368815 680637392 /nfs/dbraw/zinc/63/73/92/680637392.db2.gz KZBORWFDAOQBOU-SOUVJXGZSA-N 1 0 358.324 2.206 20 30 FEEDRO CCc1c(NC(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)cnn1-c1ccc(Cl)cc1 ZINC000841214179 680869255 /nfs/dbraw/zinc/86/92/55/680869255.db2.gz FFCQAMBJLKBHEI-FZMZJTMJSA-N 1 0 358.833 2.321 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2CC[C@@]3(CCC[NH2+]3)C2)cc1C(F)(F)F ZINC000842484750 680950412 /nfs/dbraw/zinc/95/04/12/680950412.db2.gz FHECHRNXVNAKTK-AWEZNQCLSA-N 1 0 359.373 2.094 20 30 FEEDRO C[C@H](C[C@@H](O)c1cccs1)[NH2+]CCS(=O)(=O)c1cccc(C#N)c1 ZINC000843103449 680987969 /nfs/dbraw/zinc/98/79/69/680987969.db2.gz BGXAZRACMRXAMD-CZUORRHYSA-N 1 0 364.492 2.495 20 30 FEEDRO C#CCNC(=O)[C@H](C)[NH+]1CCC(CCN(C)C(=O)OC(C)(C)C)CC1 ZINC000769945440 681001509 /nfs/dbraw/zinc/00/15/09/681001509.db2.gz JAXHYDSZOYXKIN-HNNXBMFYSA-N 1 0 351.491 2.093 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N[C@H](C)C[C@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000843930595 681026656 /nfs/dbraw/zinc/02/66/56/681026656.db2.gz TWZCEIFHLAIDNX-CABCVRRESA-N 1 0 351.491 2.140 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[C@H](C[NH2+]Cc2snnc2C)CC1 ZINC001050369044 681046790 /nfs/dbraw/zinc/04/67/90/681046790.db2.gz GPDHUSMDJMFPQX-FPCVCCKLSA-N 1 0 364.515 2.202 20 30 FEEDRO C[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCN1c1ncc(C#N)cc1Cl ZINC001050388221 681046937 /nfs/dbraw/zinc/04/69/37/681046937.db2.gz FAHHNUGAZGXWFM-WBMJQRKESA-N 1 0 361.877 2.032 20 30 FEEDRO C[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCN1c1snc(Cl)c1C#N ZINC001050388417 681047018 /nfs/dbraw/zinc/04/70/18/681047018.db2.gz HDAQSRMTMVGBBI-MFKMUULPSA-N 1 0 367.906 2.093 20 30 FEEDRO C#CCN1C(=O)C[C@@H](Nc2ccc(SCC[NH+]3CCCC3)cc2)C1=O ZINC000844273718 681047059 /nfs/dbraw/zinc/04/70/59/681047059.db2.gz UGFNYOSBZAJVID-QGZVFWFLSA-N 1 0 357.479 2.047 20 30 FEEDRO C#CCC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3ccsc3)C2)CC1 ZINC001052042355 681071036 /nfs/dbraw/zinc/07/10/36/681071036.db2.gz BFBCPLWYRMJNNU-CEXWTWQISA-N 1 0 357.523 2.093 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)OCC(=O)N2CCSc3ccccc32)CC1 ZINC000772113818 681086283 /nfs/dbraw/zinc/08/62/83/681086283.db2.gz IYWUFUGVXKDDIK-UHFFFAOYSA-N 1 0 358.463 2.014 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)O[C@H](C)C(=O)NCc2ccccc2Cl)CC1 ZINC000772123638 681086890 /nfs/dbraw/zinc/08/68/90/681086890.db2.gz UKCQWJBXRCZISI-CQSZACIVSA-N 1 0 362.857 2.233 20 30 FEEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)[C@H]3CSCCS3)CC2)c1 ZINC000845006991 681097960 /nfs/dbraw/zinc/09/79/60/681097960.db2.gz PLTMCFUHBWJPMD-QGZVFWFLSA-N 1 0 361.536 2.487 20 30 FEEDRO Cc1nsc(NC[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@H]2C)c1C#N ZINC001054454135 681110140 /nfs/dbraw/zinc/11/01/40/681110140.db2.gz AHZZMAPBMGRPKM-TZMCWYRMSA-N 1 0 361.515 2.314 20 30 FEEDRO C=C[C@H](C)ONC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000845626413 681142024 /nfs/dbraw/zinc/14/20/24/681142024.db2.gz GRIJMIXTAJYWOL-SZMVWBNQSA-N 1 0 352.523 2.471 20 30 FEEDRO C[C@@H]1[C@H](C(=O)N[C@@H]2CCCN(c3ncc(C#N)cc3Cl)C2)CC[N@@H+]1C ZINC001058258080 681169740 /nfs/dbraw/zinc/16/97/40/681169740.db2.gz MEYUIBHXNGQBFB-BPLDGKMQSA-N 1 0 361.877 2.032 20 30 FEEDRO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](Nc3ncc(C#N)cc3Cl)C2)CC[N@@H+]1C ZINC001059859279 681187285 /nfs/dbraw/zinc/18/72/85/681187285.db2.gz XLZQWNBIYQKDPM-KNCOVGOOSA-N 1 0 361.877 2.396 20 30 FEEDRO Cc1nsc(N2CCCC[C@@H]2CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1C#N ZINC001060184926 681197476 /nfs/dbraw/zinc/19/74/76/681197476.db2.gz ORRLQYGQOPRDBG-RBSFLKMASA-N 1 0 361.515 2.139 20 30 FEEDRO C#CC[C@@H]1CCCN(C(=O)[C@H](CC[NH+](C)C)NC(=O)OC(C)(C)C)C1 ZINC000846278420 681217661 /nfs/dbraw/zinc/21/76/61/681217661.db2.gz PLBKLFWMGULSBW-CVEARBPZSA-N 1 0 351.491 2.093 20 30 FEEDRO C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC1(C#N)CCCC1 ZINC000846347429 681229128 /nfs/dbraw/zinc/22/91/28/681229128.db2.gz MLVPBJBQJHFSBZ-AWEZNQCLSA-N 1 0 352.479 2.032 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)Nc1ccn(C(C)(C)C(=O)OC(C)(C)C)n1 ZINC000912709381 685423506 /nfs/dbraw/zinc/42/35/06/685423506.db2.gz JKTZBMVEDSYRMG-UHFFFAOYSA-N 1 0 350.463 2.406 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)C[C@H](c2nccn2C)C(F)(F)F)CC1 ZINC000847514331 681388876 /nfs/dbraw/zinc/38/88/76/681388876.db2.gz DXDSNWIHNOGKCG-CQSZACIVSA-N 1 0 356.392 2.060 20 30 FEEDRO C#CCC[NH+]1CCN(C[C@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000776593105 681412558 /nfs/dbraw/zinc/41/25/58/681412558.db2.gz REOLOZJEOMDVHU-HNNXBMFYSA-N 1 0 357.281 2.374 20 30 FEEDRO C[NH+](C)CC#CCNC(=O)Nc1ccnn1Cc1ccc(Cl)s1 ZINC000933931919 681486578 /nfs/dbraw/zinc/48/65/78/681486578.db2.gz SPIWVNLSMQZOGJ-UHFFFAOYSA-N 1 0 351.863 2.333 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)c2cnn(-c3cccc(Cl)c3)n2)CC1 ZINC000777406234 681491275 /nfs/dbraw/zinc/49/12/75/681491275.db2.gz AZZPMJCQTMIQFF-UHFFFAOYSA-N 1 0 357.845 2.138 20 30 FEEDRO CC[NH+](CC)CC#C[C@H](C)OC(=O)[C@H](C(C)C)N1C[C@H](C)O[C@@H](C)C1 ZINC000778686032 681639293 /nfs/dbraw/zinc/63/92/93/681639293.db2.gz SSAKTKRSOXTOOH-VJANTYMQSA-N 1 0 352.519 2.397 20 30 FEEDRO C=C(C)CNC(=[NH2+])NC[C@@H](CO)Cc1cc(Br)ccc1OC ZINC000849116713 681657940 /nfs/dbraw/zinc/65/79/40/681657940.db2.gz MYICHSQFDGZFGE-LBPRGKRZSA-N 1 0 370.291 2.299 20 30 FEEDRO C=CC1(CC(=O)N2C[C@H](C)[N@@H+](C)C[C@@H]2C)CN(C(=O)OC(C)(C)C)C1 ZINC000935190305 681707359 /nfs/dbraw/zinc/70/73/59/681707359.db2.gz PWWZFKPULRSYLB-GJZGRUSLSA-N 1 0 351.491 2.351 20 30 FEEDRO C[NH+](C)CC#CCNC(=O)[C@@H]1CCCN(c2nc3ccccc3s2)C1 ZINC000913516825 685479206 /nfs/dbraw/zinc/47/92/06/685479206.db2.gz HVRDRNJDQPAWEQ-OAHLLOKOSA-N 1 0 356.495 2.194 20 30 FEEDRO C=CCS(=O)(=O)CC[NH2+]Cc1c(C)nn(-c2ccc(F)cc2)c1C ZINC000782967357 682098787 /nfs/dbraw/zinc/09/87/87/682098787.db2.gz NPSLWGJSGQVVRN-UHFFFAOYSA-N 1 0 351.447 2.319 20 30 FEEDRO O=C1Nc2cc(OC(F)(F)F)ccc2C1=NNCC[NH+]1CCCCC1 ZINC000915974063 685520071 /nfs/dbraw/zinc/52/00/71/685520071.db2.gz BJIDAEONNCKFGP-UHFFFAOYSA-N 1 0 356.348 2.317 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)NCC[C@H](N(C)C)C(F)(F)F)CC1 ZINC000917098257 685529694 /nfs/dbraw/zinc/52/96/94/685529694.db2.gz UNADJKDSNOCAOU-AWEZNQCLSA-N 1 0 350.429 2.209 20 30 FEEDRO CC(C)(C)OC(=O)CS(=O)(=O)CC[NH2+]C(C)(C)c1cccc(C#N)c1 ZINC000852353926 682265467 /nfs/dbraw/zinc/26/54/67/682265467.db2.gz RQPUYYIWRQGNAL-UHFFFAOYSA-N 1 0 366.483 2.139 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CCCC2CCOCC2)C1 ZINC000970448169 682299032 /nfs/dbraw/zinc/29/90/32/682299032.db2.gz XNDZFOLPZZLZSD-LZQZEXGQSA-N 1 0 350.503 2.221 20 30 FEEDRO O=C(C#CC1CC[NH2+]CC1)NCc1ccc(COCC(F)(F)F)cc1 ZINC000852805841 682345074 /nfs/dbraw/zinc/34/50/74/682345074.db2.gz NOSAWZZINJECJZ-UHFFFAOYSA-N 1 0 354.372 2.385 20 30 FEEDRO COc1cc(OC)c(NC(=O)C#CC2CC[NH2+]CC2)cc1Br ZINC000852885219 682353378 /nfs/dbraw/zinc/35/33/78/682353378.db2.gz SYTDPTUPDDLZDZ-UHFFFAOYSA-N 1 0 367.243 2.408 20 30 FEEDRO CC(C)(C#N)CS(=O)(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000919261699 685545751 /nfs/dbraw/zinc/54/57/51/685545751.db2.gz GBZJMNMJMMQXGU-PKOBYXMFSA-N 1 0 361.511 2.320 20 30 FEEDRO C#C[C@H]([NH2+]C[C@@H](O)COc1ccc(Br)cc1)C1CCOCC1 ZINC000853116531 682377895 /nfs/dbraw/zinc/37/78/95/682377895.db2.gz WXVIADJEZPKYHZ-WBVHZDCISA-N 1 0 368.271 2.207 20 30 FEEDRO CC(C)[C@H](CNc1cc(Br)cnc1C#N)[NH+]1CCN(C)CC1 ZINC000853134277 682381076 /nfs/dbraw/zinc/38/10/76/682381076.db2.gz PGUSVWNFGOWHGL-INIZCTEOSA-N 1 0 366.307 2.400 20 30 FEEDRO CC(=NNCC[NH+]1CCCCC1)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000853292350 682403341 /nfs/dbraw/zinc/40/33/41/682403341.db2.gz WQBNENNHDPYVOC-MRXNPFEDSA-N 1 0 354.495 2.074 20 30 FEEDRO C=C(Cl)C(C)(C)C(=O)N1C[C@H]2CCN(C(=O)[C@H]3CCCC[N@H+]3C)C[C@H]21 ZINC000972339385 682407532 /nfs/dbraw/zinc/40/75/32/682407532.db2.gz DQIKDBJQUVHJGL-BZUAXINKSA-N 1 0 367.921 2.309 20 30 FEEDRO Cn1nc(Br)c2c1ncnc2N=NC1CCC[C@H]([NH+](C)C)C1 ZINC000788426741 682529019 /nfs/dbraw/zinc/52/90/19/682529019.db2.gz ABAWLCSFNZEZED-JTQLQIEISA-N 1 0 366.267 2.398 20 30 FEEDRO CCN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)[C@@H]1CC[N@H+](C)C1 ZINC000855360509 682661452 /nfs/dbraw/zinc/66/14/52/682661452.db2.gz GMVAFXFOPCDWAI-HUUCEWRRSA-N 1 0 352.479 2.126 20 30 FEEDRO C[NH+](C)C1CC(NC(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)C1 ZINC000857229689 682866980 /nfs/dbraw/zinc/86/69/80/682866980.db2.gz DQHBAUBCYQVXSU-YMAMQOFZSA-N 1 0 352.479 2.172 20 30 FEEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)Nc1cc(Cl)c(Br)cc1F ZINC000859706277 683146364 /nfs/dbraw/zinc/14/63/64/683146364.db2.gz OWKOKKDFWCJUCD-KGFZYKRKSA-N 1 0 361.602 2.475 20 30 FEEDRO C#CC[C@H](COC)NC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000860543808 683258373 /nfs/dbraw/zinc/25/83/73/683258373.db2.gz DGHNPQGWAUBPDN-GOSISDBHSA-N 1 0 361.511 2.438 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)N1CC2(C1)CCCN(C(=O)OC(C)(C)C)C2 ZINC000919868810 683304381 /nfs/dbraw/zinc/30/43/81/683304381.db2.gz WLMMGSRMWNTNSX-UHFFFAOYSA-N 1 0 351.491 2.354 20 30 FEEDRO N#CCn1c(C(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)cc2ccccc21 ZINC000928100841 683391645 /nfs/dbraw/zinc/39/16/45/683391645.db2.gz UUHPSMHIBRUJRF-QAPCUYQASA-N 1 0 354.479 2.474 20 30 FEEDRO C=C(C[NH+](C)C)C(=O)N[C@@H](C(=O)OC)c1ccccc1OC(F)(F)F ZINC000928327627 683435625 /nfs/dbraw/zinc/43/56/25/683435625.db2.gz CRXKIDVLVCYKJB-CYBMUJFWSA-N 1 0 360.332 2.033 20 30 FEEDRO C#CCN(C(=O)NCCCSc1nccs1)C1CC[NH+](C)CC1 ZINC000921447894 683471532 /nfs/dbraw/zinc/47/15/32/683471532.db2.gz WUHYSWMPBKWNMQ-UHFFFAOYSA-N 1 0 352.529 2.364 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)[C@@H](OC)c2ccccc2Br)CC1 ZINC000928650020 683481474 /nfs/dbraw/zinc/48/14/74/683481474.db2.gz WWAQWQQAGJXIPZ-INIZCTEOSA-N 1 0 365.271 2.350 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)CN[C@@H](c2ccccc2)C(F)(F)F)CC1 ZINC000928654940 683481950 /nfs/dbraw/zinc/48/19/50/683481950.db2.gz IINIPRVHYSGLCM-KRWDZBQOSA-N 1 0 353.388 2.093 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)c2nccnc2Sc2ccccc2)CC1 ZINC000928654248 683482161 /nfs/dbraw/zinc/48/21/61/683482161.db2.gz SYMAITXGLLEAHJ-UHFFFAOYSA-N 1 0 352.463 2.455 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)CSc2nc3ccccc3n2CC)CC1 ZINC000928661543 683483451 /nfs/dbraw/zinc/48/34/51/683483451.db2.gz XRODMDUUEAKWIK-UHFFFAOYSA-N 1 0 356.495 2.362 20 30 FEEDRO N#Cc1ccc(Br)c(CNC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c1 ZINC000921691517 683544560 /nfs/dbraw/zinc/54/45/60/683544560.db2.gz YWVMXUJXSZRPKP-LSDHHAIUSA-N 1 0 350.260 2.274 20 30 FEEDRO C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc2nc(C)sc2c1 ZINC000922023067 683639233 /nfs/dbraw/zinc/63/92/33/683639233.db2.gz SRHOILPVJXVDDS-UHFFFAOYSA-N 1 0 363.508 2.323 20 30 FEEDRO C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000922023374 683639338 /nfs/dbraw/zinc/63/93/38/683639338.db2.gz IHHCWTOBMAADQY-UHFFFAOYSA-N 1 0 362.282 2.107 20 30 FEEDRO N#Cc1ccc(Br)c(CNC[C@H]2CCC[N@H+]2CCCO)c1 ZINC000922153045 683670830 /nfs/dbraw/zinc/67/08/30/683670830.db2.gz AAAKHCYCOWSUNA-OAHLLOKOSA-N 1 0 352.276 2.257 20 30 FEEDRO N#Cc1ccc(Br)c(C[NH2+]CC[C@@H]2CCCS2(=O)=O)c1 ZINC000922333504 683700155 /nfs/dbraw/zinc/70/01/55/683700155.db2.gz PABMLWBAUOKKGS-ZDUSSCGKSA-N 1 0 357.273 2.378 20 30 FEEDRO N#CCOc1cc(F)ccc1NC(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000930385490 683723155 /nfs/dbraw/zinc/72/31/55/683723155.db2.gz CJKGSTMNKGUIPI-DZGCQCFKSA-N 1 0 364.446 2.429 20 30 FEEDRO CC(C)(C)NS(=O)(=O)C1(C[NH2+]Cc2ccc(C#N)cc2F)CCC1 ZINC000922475787 683731488 /nfs/dbraw/zinc/73/14/88/683731488.db2.gz WNFVGIOEFBEPDV-UHFFFAOYSA-N 1 0 353.463 2.428 20 30 FEEDRO CN(C[C@@H]1CCCN(Cc2cc(Cl)cc(C#N)c2)C1)S(C)(=O)=O ZINC000930440552 683733289 /nfs/dbraw/zinc/73/32/89/683733289.db2.gz FLYUXOQTFYCARB-ZDUSSCGKSA-N 1 0 355.891 2.315 20 30 FEEDRO N#Cc1ccccc1OC[C@H](O)C[NH2+][C@@H]1CC[C@@H]2SCCS[C@@H]12 ZINC000863553480 683741712 /nfs/dbraw/zinc/74/17/12/683741712.db2.gz CIBDOWOPZJTQPG-JHNDHUHGSA-N 1 0 350.509 2.267 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)Nc2ccc(OC)nc2C(F)(F)F)CC1 ZINC000930897586 683798466 /nfs/dbraw/zinc/79/84/66/683798466.db2.gz UCBDZYVLSNCQIA-UHFFFAOYSA-N 1 0 356.348 2.328 20 30 FEEDRO C=C(Cl)C[C@H]1NC(=O)N(c2cccc(N3CC[NH+](CC)CC3)c2)C1=O ZINC000864556699 683867778 /nfs/dbraw/zinc/86/77/78/683867778.db2.gz CXALLZVTUDDMKO-MRXNPFEDSA-N 1 0 362.861 2.396 20 30 FEEDRO CN(C)C(=O)C[NH+]1CCC(Nc2c(Br)cccc2C#N)CC1 ZINC000865532164 683994114 /nfs/dbraw/zinc/99/41/14/683994114.db2.gz YPXWFPPKPPZAQN-UHFFFAOYSA-N 1 0 365.275 2.285 20 30 FEEDRO C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC[N@H+]1CC[C@H](C)C1 ZINC000866271222 684087147 /nfs/dbraw/zinc/08/71/47/684087147.db2.gz GFNYSQVIHAGTIT-GXTWGEPZSA-N 1 0 359.898 2.480 20 30 FEEDRO N#CCc1ccsc1C(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000867314026 684245425 /nfs/dbraw/zinc/24/54/25/684245425.db2.gz KHLORGSCIQQJDC-KRWDZBQOSA-N 1 0 355.463 2.311 20 30 FEEDRO C[NH+](C)CC1(O)CCN(CC#Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000931482990 684290226 /nfs/dbraw/zinc/29/02/26/684290226.db2.gz TWCHTOXNTDNYBP-UHFFFAOYSA-N 1 0 356.388 2.325 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)N[C@H](c2nc(C)cs2)C(F)(F)F)CC1 ZINC000931580149 684307227 /nfs/dbraw/zinc/30/72/27/684307227.db2.gz JHBULWDYRFPUQS-GFCCVEGCSA-N 1 0 360.405 2.452 20 30 FEEDRO C[NH+]1CCC2(CCN(S(=O)(=O)c3ccc(C#N)cc3F)CC2)CC1 ZINC000867618473 684332873 /nfs/dbraw/zinc/33/28/73/684332873.db2.gz FWCIOOJBSBPELP-UHFFFAOYSA-N 1 0 351.447 2.194 20 30 FEEDRO N#CCc1ccccc1S(=O)(=O)N1C[C@@H](CC[NH3+])Cc2ccccc21 ZINC000923744071 684344825 /nfs/dbraw/zinc/34/48/25/684344825.db2.gz GIXAVIYYLHRJOA-HNNXBMFYSA-N 1 0 355.463 2.469 20 30 FEEDRO N#Cc1cc(F)cc(S(=O)(=O)N2C[C@H](CC[NH3+])Cc3ccccc32)c1 ZINC000923744761 684345585 /nfs/dbraw/zinc/34/55/85/684345585.db2.gz IKLJQAZMCCYWBO-CYBMUJFWSA-N 1 0 359.426 2.414 20 30 FEEDRO C=C(Cl)C[C@@H](NC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1)C(=O)OCC ZINC000870034242 684678171 /nfs/dbraw/zinc/67/81/71/684678171.db2.gz ZZXOVDJDFHLAJQ-HUUCEWRRSA-N 1 0 374.934 2.394 20 30 FEEDRO C[NH+](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)O[C@H]1CC[C@@](C)(C#N)CC1 ZINC000870427552 684720129 /nfs/dbraw/zinc/72/01/29/684720129.db2.gz LDJMDRPDVXTQGU-SUNYJGFJSA-N 1 0 353.463 2.457 20 30 FEEDRO N#Cc1ccc(N2CCN(C(=O)c3cc4c(s3)CC[NH2+]C4)CC2)cc1 ZINC000870981650 684777528 /nfs/dbraw/zinc/77/75/28/684777528.db2.gz NVVJZDJVXBSSIO-UHFFFAOYSA-N 1 0 352.463 2.228 20 30 FEEDRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000872664419 685000808 /nfs/dbraw/zinc/00/08/08/685000808.db2.gz ROUCPEAGACJGDU-HUUCEWRRSA-N 1 0 373.400 2.434 20 30 FEEDRO CC1([NH+]2CCCCC2)CCN(c2cccc(S(N)(=O)=O)c2C#N)CC1 ZINC000872665405 685001290 /nfs/dbraw/zinc/00/12/90/685001290.db2.gz QJCXIBHQFCPFHU-UHFFFAOYSA-N 1 0 362.499 2.050 20 30 FEEDRO N#CCOc1cc(F)ccc1NC(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000873316218 685109777 /nfs/dbraw/zinc/10/97/77/685109777.db2.gz IQZWJEBZBSCLEN-KOLCDFICSA-N 1 0 360.311 2.329 20 30 FEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCN(C(=O)c2ccc(F)cc2Cl)CC1 ZINC000876628076 686232125 /nfs/dbraw/zinc/23/21/25/686232125.db2.gz XCOVLPUNOZPLMO-CQSZACIVSA-N 1 0 374.243 2.233 20 30 FEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCN(C(=O)Nc2cccc(C)c2)CC1 ZINC000876636616 686234131 /nfs/dbraw/zinc/23/41/31/686234131.db2.gz BLAFIGBGYLXMIF-OAHLLOKOSA-N 1 0 350.850 2.141 20 30 FEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@@H]1CCCN(c2ccccc2Cl)C1=O ZINC000876680663 686242605 /nfs/dbraw/zinc/24/26/05/686242605.db2.gz GVXWFSHIIVGSPN-CHWSQXEVSA-N 1 0 356.253 2.422 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[C@H](C(=O)N(CC)CC(F)(F)F)C1 ZINC000876686319 686243931 /nfs/dbraw/zinc/24/39/31/686243931.db2.gz UXXIRZUIKBCOSI-RYUDHWBXSA-N 1 0 369.815 2.106 20 30 FEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@@H](CCSC)c1nnc2ccccn21 ZINC000876713477 686251329 /nfs/dbraw/zinc/25/13/29/686251329.db2.gz JTIIKYUPZXLXPU-NEPJUHHUSA-N 1 0 353.879 2.110 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)Nc1nc(CN2C[C@H](C)O[C@@H](C)C2)cs1 ZINC000876716969 686251991 /nfs/dbraw/zinc/25/19/91/686251991.db2.gz RTUUHYGDZRPJGL-GVXVVHGQSA-N 1 0 358.895 2.161 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000876893616 686289153 /nfs/dbraw/zinc/28/91/53/686289153.db2.gz GQIOSKSKDIFUAE-QWHCGFSZSA-N 1 0 360.216 2.171 20 30 FEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@H]1CCN(c2ccc(Cl)cc2F)C1=O ZINC000877037907 686315621 /nfs/dbraw/zinc/31/56/21/686315621.db2.gz ZANMZYGHJZRIBM-NEPJUHHUSA-N 1 0 360.216 2.171 20 30 FEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@](C)(Cc1ccc(Cl)cc1)C(=O)OC ZINC000877205248 686339737 /nfs/dbraw/zinc/33/97/37/686339737.db2.gz CRKSHEKOOOSNDL-CZUORRHYSA-N 1 0 359.253 2.400 20 30 FEEDRO C=CC[C@@H](C(=O)OC)[N@@H+]1CCC[C@H](C(=O)N(CC)CC(F)(F)F)C1 ZINC000878136486 686528164 /nfs/dbraw/zinc/52/81/64/686528164.db2.gz AEXSYLQJBWWZGM-STQMWFEESA-N 1 0 350.381 2.227 20 30 FEEDRO C[C@H]([NH2+][C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C1(C)C)C(=O)N(C)CCC#N ZINC000878828497 686669956 /nfs/dbraw/zinc/66/99/56/686669956.db2.gz XRUAIBGNYNHSPK-BFHYXJOUSA-N 1 0 352.479 2.028 20 30 FEEDRO C[C@H]([NH2+][C@@H]1C[C@H](NC(=O)OC(C)(C)C)C1(C)C)C(=O)N(C)CCC#N ZINC000878828500 686670349 /nfs/dbraw/zinc/67/03/49/686670349.db2.gz XRUAIBGNYNHSPK-MJBXVCDLSA-N 1 0 352.479 2.028 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cn(C)nc2Br)CC1 ZINC000880044515 686983794 /nfs/dbraw/zinc/98/37/94/686983794.db2.gz FALVBYMNZTUCIA-UHFFFAOYSA-N 1 0 356.268 2.345 20 30 FEEDRO N#Cc1cc(NC(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)c(F)cc1F ZINC000880709857 687077240 /nfs/dbraw/zinc/07/72/40/687077240.db2.gz CYEIEVVTSJUKAM-CYBMUJFWSA-N 1 0 350.369 2.211 20 30 FEEDRO N#Cc1cnc(N2CCC(C[NH+]3CCOCC3)CC2)c(Br)c1 ZINC000881813346 687224303 /nfs/dbraw/zinc/22/43/03/687224303.db2.gz CAURTAYKRXMEAU-UHFFFAOYSA-N 1 0 365.275 2.264 20 30 FEEDRO C[C@H]1C[C@H](NC(=O)Nc2ccc(Br)c(C#N)n2)CC[N@@H+]1C ZINC000883092291 687562089 /nfs/dbraw/zinc/56/20/89/687562089.db2.gz LDQQLSXLZLHLMR-VHSXEESVSA-N 1 0 352.236 2.320 20 30 FEEDRO C=CCC[C@@H]([NH2+]C1CCN(S(C)(=O)=O)CC1)[C@@H]1Cc2ccccc2O1 ZINC000883169856 687581540 /nfs/dbraw/zinc/58/15/40/687581540.db2.gz FUEQKOBRUQFATQ-MJGOQNOKSA-N 1 0 364.511 2.339 20 30 FEEDRO C=CCOCC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1[C@@H]1CCOC1 ZINC000883215994 687589136 /nfs/dbraw/zinc/58/91/36/687589136.db2.gz JQHUKXCELVDPTF-BRWVUGGUSA-N 1 0 354.491 2.441 20 30 FEEDRO CCC1([NH3+])CCN(S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)CC1 ZINC000883483926 687646278 /nfs/dbraw/zinc/64/62/78/687646278.db2.gz ZACVGTUZICRRJL-UHFFFAOYSA-N 1 0 361.389 2.469 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H]2CC[C@@]3(CO[C@H](C)C3)O2)CC1 ZINC000884131239 687796965 /nfs/dbraw/zinc/79/69/65/687796965.db2.gz GHXUTHXIKZOCHN-HHXXYDBFSA-N 1 0 351.491 2.053 20 30 FEEDRO N#C[C@@H]1C[NH2+]CC12CC(C(=O)N[C@H]1CCN(c3cccc(Cl)c3)C1)C2 ZINC000884232414 687825556 /nfs/dbraw/zinc/82/55/56/687825556.db2.gz QMNMOHARPWTPGG-XLMXBGDPSA-N 1 0 358.873 2.174 20 30 FEEDRO N#C[C@@H]1C[NH2+]CC12CC(C(=O)NCc1ccsc1Br)C2 ZINC000884313120 687844827 /nfs/dbraw/zinc/84/48/27/687844827.db2.gz WSOAXOUEKPCCHE-IQLKVPPVSA-N 1 0 354.273 2.266 20 30 FEEDRO N#C[C@H]1C[NH2+]CC12CC(C(=O)NCC[C@H]1CSc3ccccc3O1)C2 ZINC000884373854 687857541 /nfs/dbraw/zinc/85/75/41/687857541.db2.gz YBSWMLOWFYXDBN-LPRCSBTHSA-N 1 0 357.479 2.185 20 30 FEEDRO C[NH+](C)CCN(Cc1ccco1)S(=O)(=O)c1ccc(CCC#N)cc1 ZINC000885053445 688007428 /nfs/dbraw/zinc/00/74/28/688007428.db2.gz NLBYWERDBCMWGH-UHFFFAOYSA-N 1 0 361.467 2.488 20 30 FEEDRO C#CCN(C(=O)c1cc(Br)cc(C=O)c1)C1CC[NH+](C)CC1 ZINC000886572582 688277934 /nfs/dbraw/zinc/27/79/34/688277934.db2.gz RPXLVQYLFUHECQ-UHFFFAOYSA-N 1 0 363.255 2.431 20 30 FEEDRO C#CCN(C(=O)[C@@H](CC)N(C)C(=O)OC(C)(C)C)C1CC[NH+](C)CC1 ZINC000886573702 688278379 /nfs/dbraw/zinc/27/83/79/688278379.db2.gz SPGYADLRUAYWCO-MRXNPFEDSA-N 1 0 351.491 2.188 20 30 FEEDRO C#CCN(C(=O)c1ccc(C)nc1Br)C1CC[NH+](C)CC1 ZINC000886579655 688279554 /nfs/dbraw/zinc/27/95/54/688279554.db2.gz CPIZAIWNTJBZQT-UHFFFAOYSA-N 1 0 350.260 2.322 20 30 FEEDRO C#CCN(C(=O)[C@H](C)NC(=O)c1ccc(Cl)cc1)C1CC[NH+](C)CC1 ZINC000886589395 688280354 /nfs/dbraw/zinc/28/03/54/688280354.db2.gz UDPJTBADWJLWKX-AWEZNQCLSA-N 1 0 361.873 2.014 20 30 FEEDRO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](Cc2nc(C)cs2)C1 ZINC000886696347 688291779 /nfs/dbraw/zinc/29/17/79/688291779.db2.gz MPMPDOKHZBLOIK-KBPBESRZSA-N 1 0 350.488 2.106 20 30 FEEDRO CC(C)(C#N)c1ccc(S(=O)(=O)NC[C@@H]2C[NH2+]CCC2(F)F)cc1 ZINC000886897900 688335780 /nfs/dbraw/zinc/33/57/80/688335780.db2.gz LNDRKYVCHZNOQB-ZDUSSCGKSA-N 1 0 357.426 2.011 20 30 FEEDRO CSc1ccc(CNC(=O)Nc2ccnn2CC[NH+](C)C)cc1C#N ZINC000888254841 688572326 /nfs/dbraw/zinc/57/23/26/688572326.db2.gz AQRKFNJDCYDEIV-UHFFFAOYSA-N 1 0 358.471 2.360 20 30 FEEDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)Nc1nc(Cl)c(C#N)s1 ZINC000888420866 688609381 /nfs/dbraw/zinc/60/93/81/688609381.db2.gz PTCJOXKYIVFUFC-JTQLQIEISA-N 1 0 369.878 2.385 20 30 FEEDRO C[NH+](C)CCC[C@H]1CN(C(=O)Nc2nc(Cl)c(C#N)s2)CCO1 ZINC000888426269 688610421 /nfs/dbraw/zinc/61/04/21/688610421.db2.gz PVJDELBIPIYKPF-JTQLQIEISA-N 1 0 357.867 2.243 20 30 FEEDRO C=CCOc1ccc(CNC(=O)N2CCc3sc(C[NH3+])nc3C2)cc1 ZINC000891894887 689123522 /nfs/dbraw/zinc/12/35/22/689123522.db2.gz VLWIQYLRNCZEBC-UHFFFAOYSA-N 1 0 358.467 2.435 20 30 FEEDRO C[C@H](CNC(=O)NCc1nc(C#N)cs1)[N@@H+]1CCc2ccccc2C1 ZINC000892018996 689141584 /nfs/dbraw/zinc/14/15/84/689141584.db2.gz HVEDAYDWFVMBNC-CYBMUJFWSA-N 1 0 355.467 2.261 20 30 FEEDRO O=C1[C@H]([NH2+]Cc2ccc(Br)c3cccnc23)CCCN1O ZINC000895161187 689669346 /nfs/dbraw/zinc/66/93/46/689669346.db2.gz FHTINTJBSHODHN-CYBMUJFWSA-N 1 0 350.216 2.467 20 30 FEEDRO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@H]1CCCN(O)C1=O ZINC000895163687 689669732 /nfs/dbraw/zinc/66/97/32/689669732.db2.gz XOPGWTGJBHFACV-GWCFXTLKSA-N 1 0 370.247 2.136 20 30 FEEDRO Cn1cc(C[NH2+]CCc2ccc(C#N)cc2)c(I)n1 ZINC000895229104 689680293 /nfs/dbraw/zinc/68/02/93/689680293.db2.gz ROMJMEFUVDLMAU-UHFFFAOYSA-N 1 0 366.206 2.229 20 30 FEEDRO C#C[C@H](NC(=O)N1CCN(C)CC[N@@H+](C)CC1)c1ccc(Cl)cc1F ZINC000895693420 689756098 /nfs/dbraw/zinc/75/60/98/689756098.db2.gz ZISSLTBPSSZUPX-KRWDZBQOSA-N 1 0 366.868 2.042 20 30 FEEDRO C=C(C)C[C@H](CO)[NH2+]Cc1cc(C2CN(C(=O)OC(C)(C)C)C2)no1 ZINC000895713026 689759816 /nfs/dbraw/zinc/75/98/16/689759816.db2.gz HZSLMYUAHIUHPX-CQSZACIVSA-N 1 0 351.447 2.426 20 30 FEEDRO CC[N@@H+]1CCC[C@H]1CNC(=S)N1CCO[C@H](c2ccc(C#N)cc2)C1 ZINC000899634922 690394251 /nfs/dbraw/zinc/39/42/51/690394251.db2.gz CHYUERGXCCLEOO-ROUUACIJSA-N 1 0 358.511 2.290 20 30 FEEDRO N#Cc1ccc(NC(=S)N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)cc1Cl ZINC000899663761 690401465 /nfs/dbraw/zinc/40/14/65/690401465.db2.gz GCOSOXJMTVHSSY-HOTGVXAUSA-N 1 0 364.902 2.439 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)[C@@H](O)c1ccccc1C(F)(F)F ZINC000900377784 690509040 /nfs/dbraw/zinc/50/90/40/690509040.db2.gz FJSORIDUVZSQBB-HNNXBMFYSA-N 1 0 357.376 2.433 20 30 FEEDRO Cc1nc(NC(=O)CCN2CC[NH+](C(C)C)CC2)sc1SCC#N ZINC000900480981 690522025 /nfs/dbraw/zinc/52/20/25/690522025.db2.gz SMUHQTQFZPKWNK-UHFFFAOYSA-N 1 0 367.544 2.422 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)NC[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000901068802 690608276 /nfs/dbraw/zinc/60/82/76/690608276.db2.gz JEHOBRWWLXOLEQ-CQSZACIVSA-N 1 0 360.376 2.069 20 30 FEEDRO C=CCNc1ncc(C(=O)N2CC[C@@H](OCC[NH+]3CCCC3)C2)s1 ZINC000901079506 690610766 /nfs/dbraw/zinc/61/07/66/690610766.db2.gz WOUHMTXYKFTQOT-CQSZACIVSA-N 1 0 350.488 2.068 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)c2nnc(-c3c(F)cccc3F)s2)CC1 ZINC000902944453 690822787 /nfs/dbraw/zinc/82/27/87/690822787.db2.gz GMRWKVAFIMIRRO-UHFFFAOYSA-N 1 0 362.405 2.311 20 30 FEEDRO C[C@H](CCNS(=O)(=O)c1ccccc1)[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000903230506 690871461 /nfs/dbraw/zinc/87/14/61/690871461.db2.gz DPGPTIGBUPMJKF-HUUCEWRRSA-N 1 0 358.467 2.361 20 30 FEEDRO C[C@H](NC(=O)OC(C)(C)C)[C@H]1COCC[C@H]1[NH2+]Cc1nc(C#N)cs1 ZINC000903262687 690876384 /nfs/dbraw/zinc/87/63/84/690876384.db2.gz GRVUZKMSIBGKNO-IACUBPJLSA-N 1 0 366.487 2.423 20 30 FEEDRO Cc1cc(C#N)cc(C)c1CS(=O)(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000903549388 690921316 /nfs/dbraw/zinc/92/13/16/690921316.db2.gz CAAXSBZFDVKACG-RTBURBONSA-N 1 0 355.463 2.219 20 30 FEEDRO Cc1cc(C#N)ccc1S(=O)(=O)N1C[C@H](C[NH3+])Cc2cc(F)ccc21 ZINC000903588277 690932761 /nfs/dbraw/zinc/93/27/61/690932761.db2.gz HPNMIVMOHDJHOH-AWEZNQCLSA-N 1 0 359.426 2.332 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2CC[C@H]3CC[C@@]32C[NH3+])cc1C(F)(F)F ZINC000903589324 690933484 /nfs/dbraw/zinc/93/34/84/690933484.db2.gz OYBHRWFFHVLJQG-BXUZGUMPSA-N 1 0 359.373 2.079 20 30 FEEDRO N#Cc1cc(F)cc(S(=O)(=O)N2CCCc3cc(CC[NH3+])ccc32)c1 ZINC000903599605 690936347 /nfs/dbraw/zinc/93/63/47/690936347.db2.gz XYSWQCLROSIJJI-UHFFFAOYSA-N 1 0 359.426 2.340 20 30 FEEDRO N#Cc1ccc(OC[C@H](O)C[NH2+]C[C@H]2CCC[C@@H](C(F)(F)F)O2)cc1 ZINC000905568599 691143081 /nfs/dbraw/zinc/14/30/81/691143081.db2.gz UVRFZWHZDYCYCC-BMFZPTHFSA-N 1 0 358.360 2.388 20 30 FEEDRO CC(C)(C[NH2+]CCS(=O)(=O)c1cccc(C#N)c1)C1CCOCC1 ZINC000905639078 691155175 /nfs/dbraw/zinc/15/51/75/691155175.db2.gz CLCMUIBKMLYCMM-UHFFFAOYSA-N 1 0 350.484 2.374 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)N[C@H](CCO)c1ccccc1Br ZINC000907291443 691443303 /nfs/dbraw/zinc/44/33/03/691443303.db2.gz JLIOPWJIAOMETG-OAHLLOKOSA-N 1 0 355.276 2.497 20 30 FEEDRO C[N@@H+]1C[C@@H]2CN(S(=O)(=O)c3ccc(C#N)c(C(F)(F)F)c3)C[C@]2(C)C1 ZINC000907554586 691518529 /nfs/dbraw/zinc/51/85/29/691518529.db2.gz NVFQFPYRGSFNDQ-DOMZBBRYSA-N 1 0 373.400 2.149 20 30 FEEDRO C[NH+]1CCC2(CCN2S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)CC1 ZINC000907854238 691570676 /nfs/dbraw/zinc/57/06/76/691570676.db2.gz VRYJKILAQSUWQE-UHFFFAOYSA-N 1 0 373.400 2.436 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)c1ccc(Cn2cc(Cl)cn2)s1 ZINC000908437974 691678932 /nfs/dbraw/zinc/67/89/32/691678932.db2.gz WCSCKIAPVDWTBL-UHFFFAOYSA-N 1 0 350.875 2.331 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F ZINC000908996537 691763833 /nfs/dbraw/zinc/76/38/33/691763833.db2.gz IXEQOXBVHQBJRA-ZDUSSCGKSA-N 1 0 361.433 2.255 20 30 FEEDRO N#Cc1c(Cl)nc(Cl)cc1C(F)(F)N1CC[C@H]2[NH2+]CCO[C@H]2C1 ZINC001164390805 718821006 /nfs/dbraw/zinc/82/10/06/718821006.db2.gz RGWPPWKFWWBZQR-MNOVXSKESA-N 1 0 363.195 2.372 20 30 FEEDRO CCOC(=O)C1CC[NH+](C2CCN(c3nccc(F)c3C#N)CC2)CC1 ZINC001164617501 719028610 /nfs/dbraw/zinc/02/86/10/719028610.db2.gz MUGKBHSBBYDMOH-UHFFFAOYSA-N 1 0 360.433 2.336 20 30 FEEDRO C[N@@H+]1CCO[C@H]2CN(c3ccc(COc4ccc(CC#N)cc4)cn3)C[C@H]21 ZINC001164673088 719448982 /nfs/dbraw/zinc/44/89/82/719448982.db2.gz SJZWFFUAVVMNCP-UXHICEINSA-N 1 0 364.449 2.246 20 30 FEEDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(C#N)ccc1[N+](=O)[O-])C2 ZINC001164813783 720113663 /nfs/dbraw/zinc/11/36/63/720113663.db2.gz QNERGRFHZBKGRW-HNAYVOBHSA-N 1 0 371.441 2.046 20 30 FEEDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(C#N)ccc1[N+](=O)[O-])C2 ZINC001164813784 720113797 /nfs/dbraw/zinc/11/37/97/720113797.db2.gz QNERGRFHZBKGRW-KXBFYZLASA-N 1 0 371.441 2.046 20 30 FEEDRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc(OC)cc(C#N)n1)C2 ZINC001164816176 720123138 /nfs/dbraw/zinc/12/31/38/720123138.db2.gz YBNZLRZNIBERBV-UZLBHIALSA-N 1 0 356.470 2.147 20 30 FEEDRO C=CCNC(=O)c1cccnc1N1CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164732061 720435686 /nfs/dbraw/zinc/43/56/86/720435686.db2.gz MWZSBYKIXZFSPI-RTBURBONSA-N 1 0 363.465 2.246 20 30 FEEDRO Cc1nc(C#N)cnc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164839295 720585450 /nfs/dbraw/zinc/58/54/50/720585450.db2.gz NDSMYJHYIGIUAS-NZSAHSFTSA-N 1 0 365.485 2.231 20 30 FEEDRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4cc(Cl)ncc4C#N)C[C@@H]3C2)cn1 ZINC001164771596 721082842 /nfs/dbraw/zinc/08/28/42/721082842.db2.gz SDUVWHIHUVYMOZ-ZBFHGGJFSA-N 1 0 356.861 2.298 20 30 FEEDRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4cc(Cl)ncc4C#N)C[C@H]3C2)cn1 ZINC001164771593 721083249 /nfs/dbraw/zinc/08/32/49/721083249.db2.gz SDUVWHIHUVYMOZ-GDBMZVCRSA-N 1 0 356.861 2.298 20 30 FEEDRO N#CCc1cncc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164903031 721549157 /nfs/dbraw/zinc/54/91/57/721549157.db2.gz BVLPVOLUVBLLDF-AEFFLSMTSA-N 1 0 353.401 2.024 20 30 FEEDRO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2C(F)(F)c1cnc(Cl)cc1C#N ZINC001164922415 721873285 /nfs/dbraw/zinc/87/32/85/721873285.db2.gz GQNUWXWYYLALAX-GJZGRUSLSA-N 1 0 369.847 2.366 20 30 FEEDRO Cc1cc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)ncc1C#N ZINC001164981569 722111209 /nfs/dbraw/zinc/11/12/09/722111209.db2.gz UNSHLMWLUDIQAT-QUCCMNQESA-N 1 0 363.465 2.384 20 30 FEEDRO C[NH+](C)[C@H]1CCOc2c(NC(=O)CNc3ccc(C#N)cn3)cccc21 ZINC000520960927 887288260 /nfs/dbraw/zinc/28/82/60/887288260.db2.gz FWPFYJZUSXQGCC-INIZCTEOSA-N 1 0 351.410 2.389 20 30 FEEDRO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000522269771 887900567 /nfs/dbraw/zinc/90/05/67/887900567.db2.gz UCRSHXVKHXVSQE-GOSISDBHSA-N 1 0 355.442 2.358 20 30 FEEDRO COC(=O)c1ccc(C[N@H+](C)C[C@H](O)COc2ccc(CC#N)cc2)cc1 ZINC000027207695 539802018 /nfs/dbraw/zinc/80/20/18/539802018.db2.gz CONIROKCKMEBGE-IBGZPJMESA-N 1 0 368.433 2.411 20 30 FEEDRO N#CC1(C(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)CCCC1 ZINC000029160325 539844758 /nfs/dbraw/zinc/84/47/58/539844758.db2.gz FRVREKKOIPVNLJ-UHFFFAOYSA-N 1 0 354.498 2.394 20 30 FEEDRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)Nc1cccc(OCC#N)c1 ZINC000041787275 540033072 /nfs/dbraw/zinc/03/30/72/540033072.db2.gz PPDRIAQPWRDGLC-MRXNPFEDSA-N 1 0 372.469 2.298 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@H]1CCCN(C(=O)C2CC2)C1)C(C)C ZINC000042393353 540062871 /nfs/dbraw/zinc/06/28/71/540062871.db2.gz VVZZZWRPHMDHSR-OALUTQOASA-N 1 0 361.530 2.450 20 30 FEEDRO COc1ccccc1NC(=O)C1CC[NH+]([C@@H](C)C(=O)N(C)CCC#N)CC1 ZINC000042133664 540053005 /nfs/dbraw/zinc/05/30/05/540053005.db2.gz CCEBMMNGLROXRX-HNNXBMFYSA-N 1 0 372.469 2.106 20 30 FEEDRO CC[NH+](CC)CCCNC(=O)N1CCN(c2cccc(F)c2C#N)CC1 ZINC000043004187 540085419 /nfs/dbraw/zinc/08/54/19/540085419.db2.gz PAZOJMJHFAKDKN-UHFFFAOYSA-N 1 0 361.465 2.261 20 30 FEEDRO N#Cc1ccccc1N1CCCN(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000045121482 540204054 /nfs/dbraw/zinc/20/40/54/540204054.db2.gz XCVJGUFKVLFXFK-UHFFFAOYSA-N 1 0 355.486 2.266 20 30 FEEDRO C[NH+]1CCN(c2cc(CNC(=O)Nc3ccc(C#N)cc3)ccn2)CC1 ZINC000045845976 540230946 /nfs/dbraw/zinc/23/09/46/540230946.db2.gz NFOAVQDCVSGITD-UHFFFAOYSA-N 1 0 350.426 2.027 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1ccc2c(c1)NC(=O)CO2)C(C)C ZINC000047633207 540321655 /nfs/dbraw/zinc/32/16/55/540321655.db2.gz WOPMDBOFRPYLEJ-QGZVFWFLSA-N 1 0 357.454 2.446 20 30 FEEDRO COc1ccc(C#N)cc1NC(=O)C(=O)NC[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000050173426 540402224 /nfs/dbraw/zinc/40/22/24/540402224.db2.gz ZLZGOJVCLQWRFN-XOBRGWDASA-N 1 0 372.469 2.132 20 30 FEEDRO N#CCCCOc1cccc(NC(=O)C(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000050203202 540403115 /nfs/dbraw/zinc/40/31/15/540403115.db2.gz RPMWZKWJVSGTNQ-QGZVFWFLSA-N 1 0 370.453 2.004 20 30 FEEDRO C[C@@H](Oc1ccccc1C#N)C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000050798869 540414574 /nfs/dbraw/zinc/41/45/74/540414574.db2.gz YUGLXWWMAZIWEL-MRXNPFEDSA-N 1 0 370.497 2.000 20 30 FEEDRO CCN(CC)C(=O)CN1CCC[N@H+](CCCOc2ccc(C#N)cc2)CC1 ZINC000051708309 540441193 /nfs/dbraw/zinc/44/11/93/540441193.db2.gz RKSIVYROIWISNG-UHFFFAOYSA-N 1 0 372.513 2.203 20 30 FEEDRO N#Cc1ccccc1NC(=O)CC[N@@H+]1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000052931122 540500744 /nfs/dbraw/zinc/50/07/44/540500744.db2.gz OYLJTRNDDRAYIF-KRWDZBQOSA-N 1 0 354.454 2.125 20 30 FEEDRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)C(=O)Nc2cccc(C#N)c2)C1 ZINC000054946186 540618042 /nfs/dbraw/zinc/61/80/42/540618042.db2.gz VJWZYPIFDOQONT-HUUCEWRRSA-N 1 0 356.470 2.369 20 30 FEEDRO COC(=O)c1ccnc(N2CCC[N@H+](Cc3cccc(C#N)c3)CC2)c1 ZINC000055058325 540625289 /nfs/dbraw/zinc/62/52/89/540625289.db2.gz HLIQEYKZIMIVLZ-UHFFFAOYSA-N 1 0 350.422 2.452 20 30 FEEDRO CN(CCC[NH+](C)C)C(=O)C(=O)Nc1scc(C(C)(C)C)c1C#N ZINC000550662353 674104779 /nfs/dbraw/zinc/10/47/79/674104779.db2.gz WPUAMGGMKITHCW-UHFFFAOYSA-N 1 0 350.488 2.266 20 30 FEEDRO CC(C)(C)[N@@H+]1CCCN(C(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000063727524 541182183 /nfs/dbraw/zinc/18/21/83/541182183.db2.gz KIBMOOKZADVTHD-UHFFFAOYSA-N 1 0 362.861 2.483 20 30 FEEDRO C[NH+](C)CCOc1cccc(CNC(=O)CNc2ccc(C#N)cc2)c1 ZINC000064725487 541215364 /nfs/dbraw/zinc/21/53/64/541215364.db2.gz MIBNZCYPQJGUNX-UHFFFAOYSA-N 1 0 352.438 2.227 20 30 FEEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000065638458 541250485 /nfs/dbraw/zinc/25/04/85/541250485.db2.gz ZWTCNHZXWGVHMI-INIZCTEOSA-N 1 0 372.469 2.130 20 30 FEEDRO C[NH+](C)Cc1ccccc1CNC(=O)c1ccc(-n2ncc(C#N)c2N)cc1 ZINC000066239849 541293771 /nfs/dbraw/zinc/29/37/71/541293771.db2.gz UNLLFIHZSLOBNH-UHFFFAOYSA-N 1 0 374.448 2.318 20 30 FEEDRO CC[N@@H+]1CCC[C@H]1CNC(=O)CCC(=O)N(CCC#N)c1ccccc1 ZINC000066619805 541347630 /nfs/dbraw/zinc/34/76/30/541347630.db2.gz WAGJQHGRNDWREN-SFHVURJKSA-N 1 0 356.470 2.314 20 30 FEEDRO N#Cc1ccc(N2CCC(NC(=O)NCCCC[NH+]3CCCC3)CC2)nc1 ZINC000067062926 541412066 /nfs/dbraw/zinc/41/20/66/541412066.db2.gz LGBXXFHXANTNLE-UHFFFAOYSA-N 1 0 370.501 2.097 20 30 FEEDRO CC(=O)NC[C@H]1CCC[N@@H+]([C@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000067414216 541460142 /nfs/dbraw/zinc/46/01/42/541460142.db2.gz UHUATPQTAPPJRW-SJLPKXTDSA-N 1 0 356.470 2.170 20 30 FEEDRO C=C(C)COc1cccc(NC(=O)C(=O)NCC[NH+]2CCC(C)CC2)c1 ZINC000067497539 541472136 /nfs/dbraw/zinc/47/21/36/541472136.db2.gz WJNHXPYRQFIJEF-UHFFFAOYSA-N 1 0 359.470 2.428 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N(C)[C@@H](C)c2ccc(-n3cncn3)cc2)CC1 ZINC000067706293 541502026 /nfs/dbraw/zinc/50/20/26/541502026.db2.gz BGOHGNZLFMERPP-INIZCTEOSA-N 1 0 351.454 2.132 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)Nc2cc(C(=O)OC)ccc2N2CCCC2)CC1 ZINC000068919909 541641327 /nfs/dbraw/zinc/64/13/27/541641327.db2.gz FAEYWPVJOFNDGK-UHFFFAOYSA-N 1 0 369.465 2.357 20 30 FEEDRO COC(=O)CCCCNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000069246086 541670229 /nfs/dbraw/zinc/67/02/29/541670229.db2.gz DWSMNTLIVBSGEU-UHFFFAOYSA-N 1 0 372.469 2.119 20 30 FEEDRO C[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1cccc(OCCCC#N)c1 ZINC000071008679 541757429 /nfs/dbraw/zinc/75/74/29/541757429.db2.gz QPCFWOBAXYWVDQ-INIZCTEOSA-N 1 0 372.469 2.298 20 30 FEEDRO COc1cc(C#N)ccc1OCC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000071072644 541762598 /nfs/dbraw/zinc/76/25/98/541762598.db2.gz LVTYEXFQPVGACS-QGZVFWFLSA-N 1 0 353.422 2.365 20 30 FEEDRO CC(C)[NH+](CCCNC(=O)N1CCN(c2ccc(C#N)cn2)CC1)C(C)C ZINC000072518363 541825514 /nfs/dbraw/zinc/82/55/14/541825514.db2.gz PHIZACLGHSPXIB-UHFFFAOYSA-N 1 0 372.517 2.294 20 30 FEEDRO C[C@@H]1CN(C[C@@H]2CCC[N@@H+]2CCC(=O)Nc2cccc(C#N)c2)C[C@H](C)O1 ZINC000072581570 541834911 /nfs/dbraw/zinc/83/49/11/541834911.db2.gz RRMZZHWBHYSIHV-QKLQHJQFSA-N 1 0 370.497 2.460 20 30 FEEDRO C[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)C(=O)Nc1ccccc1SCCC#N)C2 ZINC000072639394 541843447 /nfs/dbraw/zinc/84/34/47/541843447.db2.gz BXUUQKNNKYGFBU-LSDHHAIUSA-N 1 0 372.494 2.326 20 30 FEEDRO CCC[C@@H]1[C@H](C)CCC[N@@H+]1CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 ZINC000072776496 541864080 /nfs/dbraw/zinc/86/40/80/541864080.db2.gz AUBNHCIYIRECTM-CRAIPNDOSA-N 1 0 373.501 2.404 20 30 FEEDRO COc1ccc(N2CCC([N@H+](C)CC(=O)N[C@@](C)(C#N)C3CC3)CC2)cc1 ZINC000072801316 541868650 /nfs/dbraw/zinc/86/86/50/541868650.db2.gz BVAHLTIPVPITOX-NRFANRHFSA-N 1 0 370.497 2.404 20 30 FEEDRO Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N(C)CC[N@H+](C)C1CC1 ZINC000545329695 541938720 /nfs/dbraw/zinc/93/87/20/541938720.db2.gz PWFKJFSUHIGNIY-UHFFFAOYSA-N 1 0 353.430 2.005 20 30 FEEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(-c2cncnc2)cc1 ZINC000073411567 541950927 /nfs/dbraw/zinc/95/09/27/541950927.db2.gz UNZAIWIXNGAFAR-ZIAGYGMSSA-N 1 0 353.426 2.195 20 30 FEEDRO C=CCSCCNC(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000073909311 542012885 /nfs/dbraw/zinc/01/28/85/542012885.db2.gz BJWNCAQAWCXSGW-UHFFFAOYSA-N 1 0 354.564 2.155 20 30 FEEDRO CC(C)[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N[C@@H](C)c1ccc(F)c(F)c1 ZINC000074717999 542115265 /nfs/dbraw/zinc/11/52/65/542115265.db2.gz IWFIIDZWVYJTCW-STQMWFEESA-N 1 0 373.469 2.404 20 30 FEEDRO C[C@H](NC(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1)c1cccc(C#N)c1 ZINC000074918308 542136591 /nfs/dbraw/zinc/13/65/91/542136591.db2.gz MTGGVTZMRNHAOR-FXAWDEMLSA-N 1 0 369.513 2.431 20 30 FEEDRO N#CCSCCC[NH+]1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000074990851 542143816 /nfs/dbraw/zinc/14/38/16/542143816.db2.gz ZVDGZXHVBJFYGL-GOSISDBHSA-N 1 0 358.511 2.056 20 30 FEEDRO C=CCN(CC=C)C(=O)C[N@H+]1CC[C@](C)(CNC(=O)OC(C)(C)C)C1 ZINC000801578316 674138121 /nfs/dbraw/zinc/13/81/21/674138121.db2.gz UWWMWVQJBOSJPE-LJQANCHMSA-N 1 0 351.491 2.424 20 30 FEEDRO C=CCOc1cccc(NC(=O)C(=O)N2CC[C@@H](C[NH+](CC)CC)C2)c1 ZINC000076645611 542305456 /nfs/dbraw/zinc/30/54/56/542305456.db2.gz AXEYCLADNWRCIH-INIZCTEOSA-N 1 0 359.470 2.380 20 30 FEEDRO CCC(=O)N1CCC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)CC1 ZINC000077389450 542377079 /nfs/dbraw/zinc/37/70/79/542377079.db2.gz IADYUXNVOGAIJC-UHFFFAOYSA-N 1 0 374.510 2.381 20 30 FEEDRO C=CCCCN(C)C(=O)C(=O)Nc1ccc(CN2CC[NH+](CC)CC2)cc1 ZINC000077861905 542428139 /nfs/dbraw/zinc/42/81/39/542428139.db2.gz SVJKKCMSZCOZBG-UHFFFAOYSA-N 1 0 372.513 2.187 20 30 FEEDRO C[C@@H](NC(=O)CC[NH+]1CCN(c2ccccn2)CC1)c1ccc(C#N)cc1 ZINC000078030102 542437675 /nfs/dbraw/zinc/43/76/75/542437675.db2.gz KQXNYRYEDZGQES-QGZVFWFLSA-N 1 0 363.465 2.343 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH+]1CCC(C(=O)N(C)C)CC1 ZINC000078722538 542477488 /nfs/dbraw/zinc/47/74/88/542477488.db2.gz WKLIALWIUNRTRT-HNNXBMFYSA-N 1 0 363.527 2.451 20 30 FEEDRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)N(C)C[C@@H](C)C#N)CC1 ZINC000079219374 542506544 /nfs/dbraw/zinc/50/65/44/542506544.db2.gz CWKORPLAAFFOFQ-KRWDZBQOSA-N 1 0 357.502 2.125 20 30 FEEDRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)N(C)C[C@H](C)C#N)CC1 ZINC000079219375 542506720 /nfs/dbraw/zinc/50/67/20/542506720.db2.gz CWKORPLAAFFOFQ-QGZVFWFLSA-N 1 0 357.502 2.125 20 30 FEEDRO N#CCSc1cccc(C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000079545623 542526197 /nfs/dbraw/zinc/52/61/97/542526197.db2.gz VKZMTLLMORBQIK-INIZCTEOSA-N 1 0 359.495 2.487 20 30 FEEDRO CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCC(C(=O)Nc2ccc(C)cn2)CC1 ZINC000079895015 542548194 /nfs/dbraw/zinc/54/81/94/542548194.db2.gz QURJKFRUJIOPEX-MRXNPFEDSA-N 1 0 371.485 2.049 20 30 FEEDRO C=C(C)CN(CC)C(=O)C[N@H+](C)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000080968058 542619756 /nfs/dbraw/zinc/61/97/56/542619756.db2.gz HWYLRVDKXQLDII-UHFFFAOYSA-N 1 0 359.518 2.419 20 30 FEEDRO C[N@H+](C[C@H](O)COc1ccc(C#N)cc1)C1CCN(c2ccccn2)CC1 ZINC000080968593 542620403 /nfs/dbraw/zinc/62/04/03/542620403.db2.gz AWZLJWJXDSLWDH-IBGZPJMESA-N 1 0 366.465 2.294 20 30 FEEDRO COCCC[N@@H+]1CCCN([C@@H](C)C(=O)N(CCC#N)c2ccccc2)CC1 ZINC000081087941 542632037 /nfs/dbraw/zinc/63/20/37/542632037.db2.gz ACNMODIDPIXSEW-IBGZPJMESA-N 1 0 372.513 2.366 20 30 FEEDRO CNC(=O)[C@H](C)C[N@H+](C)[C@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000081528565 542663432 /nfs/dbraw/zinc/66/34/32/542663432.db2.gz UTRGTCWZWZNBHQ-IAGOWNOFSA-N 1 0 358.486 2.253 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N2CC[C@H](c3cc(OC)cc(OC)c3)C2)CC1 ZINC000081641114 542670898 /nfs/dbraw/zinc/67/08/98/542670898.db2.gz XLKQSLMOIAURTN-KRWDZBQOSA-N 1 0 356.466 2.365 20 30 FEEDRO COc1ccc(C[N@H+](C)C[C@H](O)COc2ccc(CC#N)cc2)cc1O ZINC000086169207 542733842 /nfs/dbraw/zinc/73/38/42/542733842.db2.gz FPJPSFRPUPONIU-KRWDZBQOSA-N 1 0 356.422 2.339 20 30 FEEDRO Cc1nn(-c2ccccc2)c(CN2CC[C@H](C[NH+]3CCOCC3)C2)c1C#N ZINC000091070551 542792889 /nfs/dbraw/zinc/79/28/89/542792889.db2.gz OXAVCIRXNFDVQB-GOSISDBHSA-N 1 0 365.481 2.207 20 30 FEEDRO C[NH+](C)[C@@H]1CC[C@@H](NC(=O)N2CCCN(c3ccccc3C#N)CC2)C1 ZINC000091760674 542824424 /nfs/dbraw/zinc/82/44/24/542824424.db2.gz CVOIFSAQIYOAHI-QZTJIDSGSA-N 1 0 355.486 2.263 20 30 FEEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(OCc2ccc(F)cc2)CC1 ZINC000091886586 542829738 /nfs/dbraw/zinc/82/97/38/542829738.db2.gz HQOZISJWFWHONG-CQSZACIVSA-N 1 0 363.433 2.207 20 30 FEEDRO CCc1nn(C)c(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1[N+](=O)[O-] ZINC000092827608 542889826 /nfs/dbraw/zinc/88/98/26/542889826.db2.gz VQVLHGODMHZWNA-UHFFFAOYSA-N 1 0 368.441 2.475 20 30 FEEDRO C#CCCOc1ccc(C[NH+]2CCC(N(C)S(=O)(=O)CC)CC2)cc1 ZINC000093321063 542926176 /nfs/dbraw/zinc/92/61/76/542926176.db2.gz AEEVTRZQYLPSSX-UHFFFAOYSA-N 1 0 364.511 2.335 20 30 FEEDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)N1CCCN(c2ncccc2C#N)CC1 ZINC000098026244 543017979 /nfs/dbraw/zinc/01/79/79/543017979.db2.gz BYECHJHRIITHMF-KRWDZBQOSA-N 1 0 370.501 2.049 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Cn1ncc(=O)c2ccccc21)C(C)C ZINC000101684440 543041026 /nfs/dbraw/zinc/04/10/26/543041026.db2.gz UWKZRMJHXUXODO-LJQANCHMSA-N 1 0 368.481 2.211 20 30 FEEDRO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000103466839 543109043 /nfs/dbraw/zinc/10/90/43/543109043.db2.gz PVEQTGGSAXFNTL-CQSZACIVSA-N 1 0 370.482 2.366 20 30 FEEDRO COc1ccc(-c2nnc(CNC(=[NH2+])Nc3cccc(OC)c3)[nH]2)cc1 ZINC000104194009 543126316 /nfs/dbraw/zinc/12/63/16/543126316.db2.gz ACBCLDOCIIBZOK-UHFFFAOYSA-N 1 0 352.398 2.416 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])CC1 ZINC000106037240 543186296 /nfs/dbraw/zinc/18/62/96/543186296.db2.gz HICHEQARIAQHNN-UHFFFAOYSA-N 1 0 363.414 2.382 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000106034084 543186379 /nfs/dbraw/zinc/18/63/79/543186379.db2.gz NBLBLSXZRAIOSF-UHFFFAOYSA-N 1 0 360.845 2.307 20 30 FEEDRO C[N@H+](CCC(=O)Nc1ccc(C#N)cc1)C[C@@H]1CCCN1c1cccnn1 ZINC000106089597 543193600 /nfs/dbraw/zinc/19/36/00/543193600.db2.gz OLSNVBDYCYCXLI-SFHVURJKSA-N 1 0 364.453 2.278 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2nncn2-c2ccccc2)CC1 ZINC000106264457 543221576 /nfs/dbraw/zinc/22/15/76/543221576.db2.gz IOQGDRADEFAPSF-UHFFFAOYSA-N 1 0 354.458 2.107 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N(CCC(N)=O)Cc2ccccc2)CC1 ZINC000106329699 543223472 /nfs/dbraw/zinc/22/34/72/543223472.db2.gz GFFQIAWODSHPEB-UHFFFAOYSA-N 1 0 358.486 2.114 20 30 FEEDRO COc1ccc([C@H](CNC(=O)N2CCO[C@@H](C#N)C2)[NH+]2CCCCC2)cc1 ZINC000106328122 543223482 /nfs/dbraw/zinc/22/34/82/543223482.db2.gz BCCPFDLNUPZGRA-OALUTQOASA-N 1 0 372.469 2.156 20 30 FEEDRO C=CCNC(=O)NC(=O)[C@H](C)[N@H+](C)CCc1ccc(Br)cc1 ZINC000106861799 543250433 /nfs/dbraw/zinc/25/04/33/543250433.db2.gz JSDFBUBRERGAJR-LBPRGKRZSA-N 1 0 368.275 2.324 20 30 FEEDRO CC(C)(C)OC(=O)N[C@H]1CC[N@H+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000106870339 543251673 /nfs/dbraw/zinc/25/16/73/543251673.db2.gz XYEVVMHKRLBWAD-INIZCTEOSA-N 1 0 358.442 2.486 20 30 FEEDRO C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)Cc2ccc(OCC#N)cc2)C[C@@H](C)O1 ZINC000110662652 543364385 /nfs/dbraw/zinc/36/43/85/543364385.db2.gz JTNCIWOCJCSPLU-LMMKCTJWSA-N 1 0 371.481 2.232 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)NCC2CCN(Cc3csc(C)n3)CC2)CC1 ZINC000111042272 543379489 /nfs/dbraw/zinc/37/94/89/543379489.db2.gz UIJKAJCURNJZRA-UHFFFAOYSA-N 1 0 374.554 2.125 20 30 FEEDRO C=CC1CC[NH+](CC(=O)N2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)CC1 ZINC000111258485 543390239 /nfs/dbraw/zinc/39/02/39/543390239.db2.gz YZCMJKIVBZZGLR-QGZVFWFLSA-N 1 0 361.530 2.382 20 30 FEEDRO CC[NH+]1CCN([C@@H](C)CNC(=O)CCCCOc2cccc(C#N)c2)CC1 ZINC000111661034 543410847 /nfs/dbraw/zinc/41/08/47/543410847.db2.gz NNZAHGBBUORVQR-SFHVURJKSA-N 1 0 372.513 2.250 20 30 FEEDRO C[C@@H]([NH2+][C@H](C)c1ccc(NC(=O)NC2CC2)cc1)C(=O)N(C)CCC#N ZINC000112528647 543450632 /nfs/dbraw/zinc/45/06/32/543450632.db2.gz YONCGRWAPIHHHV-ZIAGYGMSSA-N 1 0 357.458 2.382 20 30 FEEDRO CCC[N@@H+]1CC[C@@H](CNC(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)C1 ZINC000114573704 543524578 /nfs/dbraw/zinc/52/45/78/543524578.db2.gz MENRQULVBBANPD-VQTJNVASSA-N 1 0 369.513 2.138 20 30 FEEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1CCC([NH+](C)C)CC1 ZINC000114801896 543536847 /nfs/dbraw/zinc/53/68/47/543536847.db2.gz RUZKUJZWSJIGOY-INIZCTEOSA-N 1 0 358.486 2.356 20 30 FEEDRO CCC(CC)C(=O)N1CCC([NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000115597673 543577886 /nfs/dbraw/zinc/57/78/86/543577886.db2.gz FJZIGOMIUWEVQD-SFHVURJKSA-N 1 0 356.470 2.101 20 30 FEEDRO C=CC[C@H](C)NC(=O)C(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1C ZINC000117076066 543623279 /nfs/dbraw/zinc/62/32/79/543623279.db2.gz RLONXUIQBQFNBA-INIZCTEOSA-N 1 0 358.486 2.156 20 30 FEEDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000118019733 543643164 /nfs/dbraw/zinc/64/31/64/543643164.db2.gz SLURNSAZLCOIAG-CYBMUJFWSA-N 1 0 368.384 2.392 20 30 FEEDRO CC[NH+](CC)CCNC(=O)C(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000118095184 543644275 /nfs/dbraw/zinc/64/42/75/543644275.db2.gz HDZIQCBADORENP-AWEZNQCLSA-N 1 0 362.499 2.335 20 30 FEEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000118100863 543644336 /nfs/dbraw/zinc/64/43/36/543644336.db2.gz ICSFLRSNPMUGLJ-CJNGLKHVSA-N 1 0 374.510 2.476 20 30 FEEDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccccc1SCCC#N ZINC000118096417 543644517 /nfs/dbraw/zinc/64/45/17/543644517.db2.gz HZKDGDJXPYYSOH-CQSZACIVSA-N 1 0 360.483 2.231 20 30 FEEDRO CC(C)[N@H+](C)CCNC(=O)C(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000118122952 543646321 /nfs/dbraw/zinc/64/63/21/543646321.db2.gz RVRKDZDDRZLOHZ-CQSZACIVSA-N 1 0 362.499 2.333 20 30 FEEDRO CC(C)C[C@H](C[NH+](C)C)NC(=O)C(=O)Nc1cccc(OCCCC#N)c1 ZINC000121867701 543700243 /nfs/dbraw/zinc/70/02/43/543700243.db2.gz WVXIFPSMHDUPSN-QGZVFWFLSA-N 1 0 374.485 2.400 20 30 FEEDRO C=CCN(C)[C@H](C)C(=O)Nc1ccc(C)c(S(=O)(=O)N(CC)CC)c1 ZINC000121252984 543691650 /nfs/dbraw/zinc/69/16/50/543691650.db2.gz GKBVLMJWBRVWRL-OAHLLOKOSA-N 1 0 367.515 2.470 20 30 FEEDRO CCC[C@H]1CN(CC(=O)N(C)C2(C#N)CCCCC2)CC[N@@H+]1CCOC ZINC000121880618 543700792 /nfs/dbraw/zinc/70/07/92/543700792.db2.gz KRIFZSTWQLIHEL-SFHVURJKSA-N 1 0 364.534 2.104 20 30 FEEDRO C[C@H]1C[C@@H](N(C)C(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)CC[N@@H+]1C ZINC000120458717 543680431 /nfs/dbraw/zinc/68/04/31/543680431.db2.gz YGASEBXMVBWUTR-YOEHRIQHSA-N 1 0 356.470 2.367 20 30 FEEDRO CCc1noc(C)c1CON=C(N)c1ccccc1C[NH+]1CCC(O)CC1 ZINC000123041734 543739289 /nfs/dbraw/zinc/73/92/89/543739289.db2.gz JVWKBVRACLZQKK-UHFFFAOYSA-N 1 0 372.469 2.339 20 30 FEEDRO CCc1ccc(CC)c(NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C)c1 ZINC000122135590 543703768 /nfs/dbraw/zinc/70/37/68/543703768.db2.gz ZGWUEJOONNVJOG-UHFFFAOYSA-N 1 0 358.486 2.444 20 30 FEEDRO N#Cc1ccc2ncc(C[NH2+]C[C@@H](c3ccccc3)N3CCOCC3)n2c1 ZINC000123216707 543749346 /nfs/dbraw/zinc/74/93/46/543749346.db2.gz WOAHMQASRXUKAM-FQEVSTJZSA-N 1 0 361.449 2.369 20 30 FEEDRO N#Cc1ccccc1N1CCCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC000123962292 543793279 /nfs/dbraw/zinc/79/32/79/543793279.db2.gz KWPJDZYAOPCPGL-HXUWFJFHSA-N 1 0 352.482 2.471 20 30 FEEDRO CC(C)(C)[NH2+]CCNC(=O)C(=O)Nc1nc(-c2cccc(C#N)c2)cs1 ZINC000127869061 544018038 /nfs/dbraw/zinc/01/80/38/544018038.db2.gz BHRGDLOKAKLXRQ-UHFFFAOYSA-N 1 0 371.466 2.125 20 30 FEEDRO Cc1cc(C#N)ccc1C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000128743859 544069920 /nfs/dbraw/zinc/06/99/20/544069920.db2.gz COQFKQPQBDQDEK-UHFFFAOYSA-N 1 0 370.497 2.223 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)Nc1scnc1CC)C(C)C ZINC000128107204 544032734 /nfs/dbraw/zinc/03/27/34/544032734.db2.gz CYUNRUYAPIIRLS-HNNXBMFYSA-N 1 0 364.515 2.459 20 30 FEEDRO Cn1ccnc1CC1CCN(C(=O)NCCOc2ccc(C#N)cc2)CC1 ZINC000128276920 544042696 /nfs/dbraw/zinc/04/26/96/544042696.db2.gz BRCMQSDDMGDSMB-UHFFFAOYSA-N 1 0 367.453 2.335 20 30 FEEDRO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1ccc(F)cc1C#N ZINC000128489492 544055694 /nfs/dbraw/zinc/05/56/94/544055694.db2.gz AMUPJZRKJFYBJK-INIZCTEOSA-N 1 0 360.433 2.263 20 30 FEEDRO C=CCNC(=O)[C@H](C)N1CCN(Cc2cc(Cl)ccc2OC)CC1 ZINC000130590647 544157078 /nfs/dbraw/zinc/15/70/78/544157078.db2.gz CZOKJNDRYWIJDM-AWEZNQCLSA-N 1 0 351.878 2.157 20 30 FEEDRO Cc1cccc(N(CCC#N)C(=O)C[NH2+][C@@H]2CCCC[C@H]2C(N)=O)c1C ZINC000130699971 544161500 /nfs/dbraw/zinc/16/15/00/544161500.db2.gz UOPHOEYOGVJCGJ-IAGOWNOFSA-N 1 0 356.470 2.184 20 30 FEEDRO C=C(C)COCCNC(=O)N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000135022628 544331539 /nfs/dbraw/zinc/33/15/39/544331539.db2.gz FLFBCFPUCXWTQW-IAGOWNOFSA-N 1 0 353.507 2.110 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCN(CC(F)(F)F)[C@H](C)C2)CC1 ZINC000135354177 544343490 /nfs/dbraw/zinc/34/34/90/544343490.db2.gz VHRFUACHXBZNAI-CQSZACIVSA-N 1 0 362.440 2.305 20 30 FEEDRO N#Cc1cccc(OCCCCC(=O)NCCC[NH+]2CCC(O)CC2)c1 ZINC000136122379 544367119 /nfs/dbraw/zinc/36/71/19/544367119.db2.gz AGLZLLDYERVBBH-UHFFFAOYSA-N 1 0 359.470 2.070 20 30 FEEDRO N#CCSCCC[NH+]1CCN(CC(=O)Nc2ccccc2F)CC1 ZINC000136138450 544367387 /nfs/dbraw/zinc/36/73/87/544367387.db2.gz FZDFPORBLIUGTQ-UHFFFAOYSA-N 1 0 350.463 2.029 20 30 FEEDRO C[C@@H](CNC(=O)C(=O)Nc1ccc(C#N)cc1F)[N@H+](C)Cc1ccccc1 ZINC000136245148 544369746 /nfs/dbraw/zinc/36/97/46/544369746.db2.gz MJZMDYXQTOQFRP-AWEZNQCLSA-N 1 0 368.412 2.273 20 30 FEEDRO N#Cc1ccc(CNC(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000137131623 544385420 /nfs/dbraw/zinc/38/54/20/544385420.db2.gz LATQZXGNYZXCAN-OALUTQOASA-N 1 0 356.470 2.125 20 30 FEEDRO COc1cc(C#N)ccc1OCCCC(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000141561019 544413806 /nfs/dbraw/zinc/41/38/06/544413806.db2.gz LFTRFFLFNATVFY-KRWDZBQOSA-N 1 0 357.454 2.423 20 30 FEEDRO N#Cc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)c(F)c1 ZINC000136464716 544373605 /nfs/dbraw/zinc/37/36/05/544373605.db2.gz VORUPENLULVFRI-OAHLLOKOSA-N 1 0 358.417 2.017 20 30 FEEDRO CN(C(=O)c1ccc(NC(=O)C2(C#N)CCC2)cc1)[C@H]1CCC[N@H+](C)C1 ZINC000151782150 544578943 /nfs/dbraw/zinc/57/89/43/544578943.db2.gz HKGJBSGBCYETGW-KRWDZBQOSA-N 1 0 354.454 2.485 20 30 FEEDRO C=CCOc1ccc(C(F)(F)F)cc1C(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000152573750 544669503 /nfs/dbraw/zinc/66/95/03/544669503.db2.gz KDFXOWJGPOTKAZ-MRXNPFEDSA-N 1 0 360.376 2.313 20 30 FEEDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)Nc1ccc(C#N)cc1 ZINC000153177933 544743735 /nfs/dbraw/zinc/74/37/35/544743735.db2.gz QTMPOJPIHSHRGV-BEFAXECRSA-N 1 0 362.433 2.133 20 30 FEEDRO C[N@H+](CC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1)[C@@H]1CCSC1 ZINC000153777502 544821472 /nfs/dbraw/zinc/82/14/72/544821472.db2.gz RJPNHDBPEPEVQA-LJQANCHMSA-N 1 0 372.538 2.030 20 30 FEEDRO N#Cc1cc(Br)cc(S(=O)(=O)NCCN2CCCCC2)c1 ZINC000155131658 544994099 /nfs/dbraw/zinc/99/40/99/544994099.db2.gz DXGYYEDWBWZQJD-UHFFFAOYSA-N 1 0 372.288 2.085 20 30 FEEDRO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N(C)Cc1cn(C)nc1C(F)(F)F ZINC000155068949 544984080 /nfs/dbraw/zinc/98/40/80/544984080.db2.gz XPKBTRFPTOZADY-XHDPSFHLSA-N 1 0 359.396 2.314 20 30 FEEDRO C[NH+](C)[C@@H]1CCCN(S(=O)(=O)c2cc(Br)cc(C#N)c2)C1 ZINC000155208197 545002201 /nfs/dbraw/zinc/00/22/01/545002201.db2.gz OCHXMFOMOOWYRG-CYBMUJFWSA-N 1 0 372.288 2.035 20 30 FEEDRO CN1CCC(CNC(=O)c2cccc(F)c2C#N)([NH+]2CCCCC2)CC1 ZINC000188283415 328077916 /nfs/dbraw/zinc/07/79/16/328077916.db2.gz NQJIVRWAWUVQLG-UHFFFAOYSA-N 1 0 358.461 2.377 20 30 FEEDRO N#Cc1ccccc1NC(=O)CC[NH+]1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000189640713 328159402 /nfs/dbraw/zinc/15/94/02/328159402.db2.gz HUDJDHWSXONLHS-UHFFFAOYSA-N 1 0 364.453 2.310 20 30 FEEDRO CCCN(CCC[NH+](C)C)C(=O)C(=O)Nc1ccc(OC(C)C)c(C#N)c1 ZINC000190155015 328191431 /nfs/dbraw/zinc/19/14/31/328191431.db2.gz TYDQIYNNJVIKHP-UHFFFAOYSA-N 1 0 374.485 2.474 20 30 FEEDRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)COc2ccc(C#N)c(Cl)c2)C1 ZINC000190249291 328196427 /nfs/dbraw/zinc/19/64/27/328196427.db2.gz HPSZARWPTLLSNT-MRXNPFEDSA-N 1 0 365.861 2.063 20 30 FEEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cn(C(C)(C)C)nn1 ZINC000190473732 328209949 /nfs/dbraw/zinc/20/99/49/328209949.db2.gz WQFKKUMOEPHEFU-UHFFFAOYSA-N 1 0 354.458 2.109 20 30 FEEDRO N#Cc1ccc(OC[C@H](O)C[NH+]2CCC(Oc3ccc(F)nc3)CC2)cc1 ZINC000190480376 328210321 /nfs/dbraw/zinc/21/03/21/328210321.db2.gz VKTSOPAVCGLXOV-MRXNPFEDSA-N 1 0 371.412 2.375 20 30 FEEDRO C[C@H](NC(=O)C(=O)Nc1ccc(F)c(C#N)c1)[C@H](c1ccccc1)[NH+](C)C ZINC000191253813 328256752 /nfs/dbraw/zinc/25/67/52/328256752.db2.gz FWNMKYLKVLTHIF-SCLBCKFNSA-N 1 0 368.412 2.443 20 30 FEEDRO CCN(CCC[NH+](C)C)S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000191994061 328292459 /nfs/dbraw/zinc/29/24/59/328292459.db2.gz FSBFEPWJALNOMJ-UHFFFAOYSA-N 1 0 374.304 2.283 20 30 FEEDRO C[C@@H](CNC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C)C[NH+]1CCCCC1 ZINC000192743140 328336534 /nfs/dbraw/zinc/33/65/34/328336534.db2.gz PCAJLOFLASFYEY-HNNXBMFYSA-N 1 0 373.501 2.291 20 30 FEEDRO C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C)C2 ZINC000193047193 328353852 /nfs/dbraw/zinc/35/38/52/328353852.db2.gz HBJPQYVDZVZIQD-MQVJKMGUSA-N 1 0 371.485 2.185 20 30 FEEDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)C1 ZINC000193117350 328358426 /nfs/dbraw/zinc/35/84/26/328358426.db2.gz JWVONBZWXGJLJE-CABCVRRESA-N 1 0 359.474 2.042 20 30 FEEDRO CC[NH+]1CCN(CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)CC1 ZINC000060934759 324852357 /nfs/dbraw/zinc/85/23/57/324852357.db2.gz LSVPXJBQFULQPG-UHFFFAOYSA-N 1 0 369.469 2.194 20 30 FEEDRO C[C@H](C[NH+]1CCCCC1)NC(=O)N1CCN(c2cccc(F)c2C#N)CC1 ZINC000079292992 325086118 /nfs/dbraw/zinc/08/61/18/325086118.db2.gz YZIAEDHSJNQDQM-MRXNPFEDSA-N 1 0 373.476 2.403 20 30 FEEDRO C[C@H](NC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1)C(C)(C)C[NH+](C)C ZINC000085291122 325249890 /nfs/dbraw/zinc/24/98/90/325249890.db2.gz GOUQEZLOCMIWKB-NSHDSACASA-N 1 0 350.850 2.243 20 30 FEEDRO CC1CC[NH+](CCCNC(=O)C(=O)Nc2cc(C#N)ccc2Cl)CC1 ZINC000088767820 325300416 /nfs/dbraw/zinc/30/04/16/325300416.db2.gz WSPZVHQELZDFEE-UHFFFAOYSA-N 1 0 362.861 2.388 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)C2(c3ccc(C)c(OC)c3)CC2)c1C#N ZINC000089662202 325326118 /nfs/dbraw/zinc/32/61/18/325326118.db2.gz AZFOAIMWGRKAGO-UHFFFAOYSA-N 1 0 367.453 2.421 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H]2C[C@H]2c2cccc(OC)c2)c1C#N ZINC000089662263 325326253 /nfs/dbraw/zinc/32/62/53/325326253.db2.gz WVUMTBRLYXGCSS-LSDHHAIUSA-N 1 0 353.426 2.184 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)CCn2ccc3ccccc32)c1C#N ZINC000089676454 325326736 /nfs/dbraw/zinc/32/67/36/325326736.db2.gz FHTSMODIUPLVLX-UHFFFAOYSA-N 1 0 350.426 2.417 20 30 FEEDRO CSc1cccc(NC(=O)[C@@H](C)[N@H+](C)CCCc2[nH]nc(N)c2C#N)c1 ZINC000089942882 325343802 /nfs/dbraw/zinc/34/38/02/325343802.db2.gz YTHGPNYYHQERKD-GFCCVEGCSA-N 1 0 372.498 2.477 20 30 FEEDRO C[N@H+](CCCc1[nH]nc(N)c1C#N)CC(=O)NCCCC1CCCCC1 ZINC000089943830 325344536 /nfs/dbraw/zinc/34/45/36/325344536.db2.gz OXBWCMWBQFXIHX-UHFFFAOYSA-N 1 0 360.506 2.205 20 30 FEEDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)N1CCN(c2ccc(C#N)cc2F)CC1 ZINC000101788566 325480924 /nfs/dbraw/zinc/48/09/24/325480924.db2.gz IIWVAJVFIZTURJ-INIZCTEOSA-N 1 0 373.476 2.403 20 30 FEEDRO Cn1nnc2cc(C(=O)N(CC[NH+](C)C)Cc3cccc(C#N)c3)ccc21 ZINC000104338134 325536718 /nfs/dbraw/zinc/53/67/18/325536718.db2.gz OWUUCHDUKUVNOV-UHFFFAOYSA-N 1 0 362.437 2.044 20 30 FEEDRO N#Cc1c(Cl)cccc1S(=O)(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000120433602 326258111 /nfs/dbraw/zinc/25/81/11/326258111.db2.gz FXGVJBMCMKLDFV-ZDUSSCGKSA-N 1 0 353.875 2.318 20 30 FEEDRO N#Cc1ccc(F)c(CNC(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)c1 ZINC000120884167 326296290 /nfs/dbraw/zinc/29/62/90/326296290.db2.gz DLZFXMDFZLKFMG-RTBURBONSA-N 1 0 374.460 2.264 20 30 FEEDRO C[N@@H+]1CCC[C@H]2CN(S(=O)(=O)c3ccc(Cl)c(C#N)c3)CC[C@@H]21 ZINC000122320220 326392189 /nfs/dbraw/zinc/39/21/89/326392189.db2.gz RYXCEFQYGVUDKL-LRDDRELGSA-N 1 0 353.875 2.316 20 30 FEEDRO N#Cc1cc(F)c(S(=O)(=O)N2CCC[C@H]([NH+]3CCCCC3)C2)c(F)c1 ZINC000125266880 326468498 /nfs/dbraw/zinc/46/84/98/326468498.db2.gz KEJJXVOVZRIPKS-AWEZNQCLSA-N 1 0 369.437 2.475 20 30 FEEDRO Cc1cc(C#N)ccc1C(=O)Nc1ccc(OC[C@H](O)C[NH+](C)C)cc1 ZINC000129264109 326537510 /nfs/dbraw/zinc/53/75/10/326537510.db2.gz BFTUILBIUHOIRY-QGZVFWFLSA-N 1 0 353.422 2.420 20 30 FEEDRO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccc(C#N)cc1F)c1cccs1 ZINC000135668976 326646351 /nfs/dbraw/zinc/64/63/51/326646351.db2.gz OOWIIKHVGGODAL-CQSZACIVSA-N 1 0 360.414 2.116 20 30 FEEDRO C[NH+](C)Cc1cccc(C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)c1 ZINC000156167365 326820003 /nfs/dbraw/zinc/82/00/03/326820003.db2.gz TUPVOQQVQOAWKC-UHFFFAOYSA-N 1 0 363.465 2.414 20 30 FEEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+]Cc3cnc4cnccn34)C2)c(F)c1 ZINC000156804807 326844569 /nfs/dbraw/zinc/84/45/69/326844569.db2.gz VEROVRUUSHIORG-OAHLLOKOSA-N 1 0 350.401 2.499 20 30 FEEDRO C[C@H](Oc1ccccc1C#N)C(=O)N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000158333506 326892572 /nfs/dbraw/zinc/89/25/72/326892572.db2.gz WEPCVMRGPQUMCF-PKOBYXMFSA-N 1 0 371.481 2.429 20 30 FEEDRO C[C@@H](CNC(=O)Nc1cc(C#N)cn1C(C)(C)C)C[NH+]1CCN(C)CC1 ZINC000171149487 327120915 /nfs/dbraw/zinc/12/09/15/327120915.db2.gz ABDUNMIVPQEYPJ-HNNXBMFYSA-N 1 0 360.506 2.120 20 30 FEEDRO Cc1ccc(C#N)cc1NC(=O)C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000171697164 327155803 /nfs/dbraw/zinc/15/58/03/327155803.db2.gz FCEBXAIYGJPXPI-QGZVFWFLSA-N 1 0 354.454 2.282 20 30 FEEDRO CCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000172207966 327187233 /nfs/dbraw/zinc/18/72/33/327187233.db2.gz ZAWOYPYSUWYJRM-QGZVFWFLSA-N 1 0 374.485 2.378 20 30 FEEDRO CCOc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000172307728 327194618 /nfs/dbraw/zinc/19/46/18/327194618.db2.gz FXSUFKPTJSAZLJ-INIZCTEOSA-N 1 0 372.469 2.132 20 30 FEEDRO Cc1cc(C#N)ccc1S(=O)(=O)N(CC[NH+](C)C)Cc1ccccn1 ZINC000172675319 327214192 /nfs/dbraw/zinc/21/41/92/327214192.db2.gz AZIPZCOSZFHDGZ-UHFFFAOYSA-N 1 0 358.467 2.014 20 30 FEEDRO Cc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000173338099 327250638 /nfs/dbraw/zinc/25/06/38/327250638.db2.gz SNCKUZKBSZRJQA-KRWDZBQOSA-N 1 0 354.454 2.140 20 30 FEEDRO CN1CC[NH+]([C@H]2CCCCN(Cc3cn4ccccc4c3C#N)C2)CC1 ZINC000174885028 327357919 /nfs/dbraw/zinc/35/79/19/327357919.db2.gz LPZUZTNQKGXDIM-IBGZPJMESA-N 1 0 351.498 2.413 20 30 FEEDRO CO[C@@H](C)c1noc(CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000175022939 327368804 /nfs/dbraw/zinc/36/88/04/327368804.db2.gz YISFJINUNHMBHZ-HNNXBMFYSA-N 1 0 355.442 2.357 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)CCN2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000176229244 327442344 /nfs/dbraw/zinc/44/23/44/327442344.db2.gz KNVCPDBSVPRNSO-UHFFFAOYSA-N 1 0 361.511 2.140 20 30 FEEDRO C[C@H](NS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1)[C@H]1CCC[NH2+]C1 ZINC000261972618 328832692 /nfs/dbraw/zinc/83/26/92/328832692.db2.gz BPHQBGHAOQBDMW-QWRGUYRKSA-N 1 0 361.389 2.243 20 30 FEEDRO N#Cc1ccc(N2CCC([NH2+][C@H](C(N)=O)c3ccc(F)cc3)CC2)cc1 ZINC000263859903 328969223 /nfs/dbraw/zinc/96/92/23/328969223.db2.gz VEXXOMDFRJZWMQ-IBGZPJMESA-N 1 0 352.413 2.482 20 30 FEEDRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)CSc2ccc(C#N)cc2)CC1 ZINC000264510494 329031047 /nfs/dbraw/zinc/03/10/47/329031047.db2.gz KAVLTBUAQFKOLD-GOSISDBHSA-N 1 0 372.538 2.279 20 30 FEEDRO C[NH+](C)C1(CNC(=O)CCCCOc2cccc(C#N)c2)CCOCC1 ZINC000264968510 329079426 /nfs/dbraw/zinc/07/94/26/329079426.db2.gz AIYCBFUSOJTSKJ-UHFFFAOYSA-N 1 0 359.470 2.334 20 30 FEEDRO Cn1c(Sc2c(C#N)nnc3ccccc32)nnc1C1CC[NH2+]CC1 ZINC000265815121 329163082 /nfs/dbraw/zinc/16/30/82/329163082.db2.gz GOKGNZLJZISLIV-UHFFFAOYSA-N 1 0 351.439 2.248 20 30 FEEDRO C[NH+](C)CCOc1ccccc1N1CCN(c2ccc(C#N)nc2)CC1 ZINC000267326949 329315250 /nfs/dbraw/zinc/31/52/50/329315250.db2.gz BBMNZLMWELBPBQ-UHFFFAOYSA-N 1 0 351.454 2.220 20 30 FEEDRO N#Cc1ccnc(N2CCN(C(=O)[C@H]3CC[N@@H+](C4CCCCC4)C3)CC2)c1 ZINC000267401817 329323253 /nfs/dbraw/zinc/32/32/53/329323253.db2.gz ZXMJFRIFQYQQGD-SFHVURJKSA-N 1 0 367.497 2.256 20 30 FEEDRO C[C@H](Oc1ccc(C#N)cc1)C(=O)NCCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000267551950 329337591 /nfs/dbraw/zinc/33/75/91/329337591.db2.gz DFZSNYQDYHPGMN-ZACQAIPSSA-N 1 0 359.470 2.331 20 30 FEEDRO COC(=O)[C@@]1(F)CCN(CCC(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000267776090 329356978 /nfs/dbraw/zinc/35/69/78/329356978.db2.gz HDLIMJQXLFCGGS-QGZVFWFLSA-N 1 0 365.430 2.024 20 30 FEEDRO N#Cc1ccc(NC(=O)C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)c(Cl)c1 ZINC000269084155 329484013 /nfs/dbraw/zinc/48/40/13/329484013.db2.gz IURACWMQFBYGNX-OAHLLOKOSA-N 1 0 374.872 2.485 20 30 FEEDRO N#Cc1ccc(N2CCC[C@@H]([NH+]3CCC(CCC(N)=O)CC3)C2=O)cc1 ZINC000272600432 329795962 /nfs/dbraw/zinc/79/59/62/329795962.db2.gz YMNSUYOETGIANT-GOSISDBHSA-N 1 0 354.454 2.031 20 30 FEEDRO CC(C)N(CC[NH+](C)C)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000272724439 329807872 /nfs/dbraw/zinc/80/78/72/329807872.db2.gz FXIVKLJNKGTOAU-SFHVURJKSA-N 1 0 371.485 2.035 20 30 FEEDRO CN1CC[NH+](C[C@@H]2CCCN(C(=O)c3cc(C#N)ccc3Cl)C2)CC1 ZINC000367214066 330231150 /nfs/dbraw/zinc/23/11/50/330231150.db2.gz ZDYUHUYWIMBXAP-INIZCTEOSA-N 1 0 360.889 2.311 20 30 FEEDRO N#Cc1ccc(Cl)cc1NC(=O)C[NH2+]C1(CO)Cc2ccccc2C1 ZINC000369329949 330240405 /nfs/dbraw/zinc/24/04/05/330240405.db2.gz OZVLCWWGTTWQJX-UHFFFAOYSA-N 1 0 355.825 2.270 20 30 FEEDRO COc1cc(C#N)ccc1OCC[N@@H+]1CCC[C@@H]1C[C@@H](O)c1cnn(C)c1 ZINC000371456142 330243844 /nfs/dbraw/zinc/24/38/44/330243844.db2.gz FSMFZMWSQUKCNF-QZTJIDSGSA-N 1 0 370.453 2.267 20 30 FEEDRO C#CCCCS(=O)(=O)NCc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000804948280 674308733 /nfs/dbraw/zinc/30/87/33/674308733.db2.gz OJMXOCWWOLRWJX-CALCHBBNSA-N 1 0 364.511 2.129 20 30 FEEDRO C=C(Br)CNC(=O)C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](CC)C1 ZINC000805637554 674348580 /nfs/dbraw/zinc/34/85/80/674348580.db2.gz UMOZRVLBFJRYKU-ZDUSSCGKSA-N 1 0 374.323 2.028 20 30 FEEDRO N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCCCCC[NH+]1CCCC1 ZINC000555413224 674359929 /nfs/dbraw/zinc/35/99/29/674359929.db2.gz JXNMCZADCKMRIU-UHFFFAOYSA-N 1 0 366.443 2.011 20 30 FEEDRO CN(C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1)C(=O)NC[C@]1(C)CCCO1 ZINC000328622550 523042205 /nfs/dbraw/zinc/04/22/05/523042205.db2.gz ILSURVANRLFTKG-WDYCEAGBSA-N 1 0 363.506 2.218 20 30 FEEDRO Cc1cccc(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)c1C#N ZINC000155500877 545533752 /nfs/dbraw/zinc/53/37/52/545533752.db2.gz FXYDCDOOKWYRML-INIZCTEOSA-N 1 0 356.470 2.289 20 30 FEEDRO CC(=O)N1CC[C@H](C[N@@H+](C)CC(=O)Nc2ccccc2SCC#N)C1 ZINC000156622131 545640679 /nfs/dbraw/zinc/64/06/79/545640679.db2.gz SDJXZEAIAFKAQS-OAHLLOKOSA-N 1 0 360.483 2.041 20 30 FEEDRO N#Cc1cccc(S(=O)(=O)CCN2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000156661027 545645037 /nfs/dbraw/zinc/64/50/37/545645037.db2.gz FJFLJDDTXTVAHU-UHFFFAOYSA-N 1 0 361.511 2.140 20 30 FEEDRO N#Cc1cccc(S(=O)(=O)CCN2CCC[C@H]([NH+]3CCCCC3)C2)c1 ZINC000156734155 545653471 /nfs/dbraw/zinc/65/34/71/545653471.db2.gz JGJMHFWJJRHEIO-SFHVURJKSA-N 1 0 361.511 2.282 20 30 FEEDRO CC(C)Oc1ccc(NC(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)cc1C#N ZINC000157689234 545770674 /nfs/dbraw/zinc/77/06/74/545770674.db2.gz DLYRMNAMCJHKOU-MRXNPFEDSA-N 1 0 373.501 2.350 20 30 FEEDRO Cc1cc(C[C@H](C)NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)[nH]n1 ZINC000158260242 545840460 /nfs/dbraw/zinc/84/04/60/545840460.db2.gz JGZJSJSXXZYDQU-HNNXBMFYSA-N 1 0 368.485 2.294 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2cccs2)CC1 ZINC000159231543 545934468 /nfs/dbraw/zinc/93/44/68/545934468.db2.gz LVCCANHAJXXCKY-QAPCUYQASA-N 1 0 361.511 2.424 20 30 FEEDRO C[NH+]=C(NCCc1nccs1)N(C)Cc1cc(Br)cn1C ZINC000159468852 545956541 /nfs/dbraw/zinc/95/65/41/545956541.db2.gz BIUZVPFKILKSDK-UHFFFAOYSA-N 1 0 370.320 2.494 20 30 FEEDRO N#Cc1cccc(/C=C/C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)c1 ZINC000160157331 546012357 /nfs/dbraw/zinc/01/23/57/546012357.db2.gz BTEKDVRFISKVSE-LTPVEEIWSA-N 1 0 353.466 2.456 20 30 FEEDRO C=CCc1cc(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)cc(OC)c1OC ZINC000160197797 546016471 /nfs/dbraw/zinc/01/64/71/546016471.db2.gz ZRQFYTSHZBBPNS-QGZVFWFLSA-N 1 0 362.470 2.009 20 30 FEEDRO CCc1cc(=O)[nH]c(CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000160627872 546057595 /nfs/dbraw/zinc/05/75/95/546057595.db2.gz ZLBGBCFEXHRUTC-UHFFFAOYSA-N 1 0 351.454 2.324 20 30 FEEDRO C#CCOCCC(=O)Nc1ccnn1[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000160709211 546064958 /nfs/dbraw/zinc/06/49/58/546064958.db2.gz PQUBACNIPIPFNO-SFHVURJKSA-N 1 0 352.438 2.309 20 30 FEEDRO N#Cc1ccc(NC(=O)CN2CCN(c3cc[nH+]cc3)CC2)cc1Cl ZINC000161325890 546119757 /nfs/dbraw/zinc/11/97/57/546119757.db2.gz CSEUGLRMKLFOPG-UHFFFAOYSA-N 1 0 355.829 2.367 20 30 FEEDRO N#CCc1ccc(OC[C@H](O)C[NH+]2CCC([C@@H](O)C(F)(F)F)CC2)cc1 ZINC000161598750 546131957 /nfs/dbraw/zinc/13/19/57/546131957.db2.gz ISMPWFKFDHJNAA-NVXWUHKLSA-N 1 0 372.387 2.128 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1ccc(-n2cc[nH]c2=S)cc1 ZINC000171468843 546211141 /nfs/dbraw/zinc/21/11/41/546211141.db2.gz BBEBTUWMTSTVTG-UHFFFAOYSA-N 1 0 357.483 2.469 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)CNC(=O)c2ccc(OCCCC)cc2)CC1 ZINC000171566258 546214557 /nfs/dbraw/zinc/21/45/57/546214557.db2.gz PPVFCUDOPQVBFT-UHFFFAOYSA-N 1 0 373.497 2.362 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3F)C2)CC1 ZINC000171719874 546220571 /nfs/dbraw/zinc/22/05/71/546220571.db2.gz VQWJTAAKFBOAFH-CYBMUJFWSA-N 1 0 363.408 2.084 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@H]2CSCN2C(=O)/C(C)=C/CC)CC1 ZINC000171728277 546221935 /nfs/dbraw/zinc/22/19/35/546221935.db2.gz JYMBUCNPAZXOGU-GFGNLIMNSA-N 1 0 365.543 2.401 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)CCCc2nc3ccccc3c(=O)[nH]2)CC1 ZINC000171722114 546222022 /nfs/dbraw/zinc/22/20/22/546222022.db2.gz HDUTWNOCLABLPT-UHFFFAOYSA-N 1 0 354.454 2.012 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)[C@@H]2CC(=O)N(c3cccc(C)c3C)C2)CC1 ZINC000171720844 546222202 /nfs/dbraw/zinc/22/22/02/546222202.db2.gz MSUASZKFRORDET-QGZVFWFLSA-N 1 0 355.482 2.423 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)c2cc(OCC)c(OC)cc2[N+](=O)[O-])CC1 ZINC000171722604 546222396 /nfs/dbraw/zinc/22/23/96/546222396.db2.gz OJDUNPSXOTWKMU-UHFFFAOYSA-N 1 0 363.414 2.382 20 30 FEEDRO CC[C@@H]1Oc2cc([C@H](C)[NH2+][C@@H](C)C(=O)N(C)CCC#N)ccc2NC1=O ZINC000173226640 546276300 /nfs/dbraw/zinc/27/63/00/546276300.db2.gz CCOVINHPJPAUMW-XEZPLFJOSA-N 1 0 358.442 2.207 20 30 FEEDRO C[C@@H]([NH2+][C@@H]1CCCN(c2ccn(C)n2)C1=O)c1ccc(OCC#N)cc1 ZINC000174045077 546289979 /nfs/dbraw/zinc/28/99/79/546289979.db2.gz OZTHLSUPRDFOCR-RHSMWYFYSA-N 1 0 353.426 2.169 20 30 FEEDRO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000174846117 546304661 /nfs/dbraw/zinc/30/46/61/546304661.db2.gz AZAOVRUKTYFYGU-CABCVRRESA-N 1 0 352.438 2.323 20 30 FEEDRO CS(=O)(=O)CC1(C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)CC1 ZINC000174942033 546305020 /nfs/dbraw/zinc/30/50/20/546305020.db2.gz AMNNHWMYAGLKEA-UHFFFAOYSA-N 1 0 372.494 2.378 20 30 FEEDRO C[NH+]=C(NCc1nnc2n1CCCC2)N1CC[C@@H](c2ccc(OC)cc2)C1 ZINC000175546684 546312553 /nfs/dbraw/zinc/31/25/53/546312553.db2.gz PYJAVLAKDJHZFW-MRXNPFEDSA-N 1 0 368.485 2.188 20 30 FEEDRO CCOc1ccc(C#N)cc1NC(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000175623069 546322353 /nfs/dbraw/zinc/32/23/53/546322353.db2.gz USYJEGUNFRCABM-UHFFFAOYSA-N 1 0 373.501 2.447 20 30 FEEDRO C=CCOc1ccccc1CNC(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000175754556 546344371 /nfs/dbraw/zinc/34/43/71/546344371.db2.gz SZMFOINXQILTHA-UHFFFAOYSA-N 1 0 360.502 2.077 20 30 FEEDRO N#CCCN(CCC#N)C(=O)C[N@H+]1CCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000175851608 546362058 /nfs/dbraw/zinc/36/20/58/546362058.db2.gz BTENQAFJFZTROE-HZPDHXFCSA-N 1 0 360.483 2.292 20 30 FEEDRO C#Cc1cccc(NC(=O)C(=O)N(CC[NH+](C)C)Cc2cccs2)c1 ZINC000176112491 546408462 /nfs/dbraw/zinc/40/84/62/546408462.db2.gz UDZCXNALROZYMT-UHFFFAOYSA-N 1 0 355.463 2.258 20 30 FEEDRO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N2CCN(c3cccc(F)c3C#N)CC2)C1 ZINC000176837323 546495562 /nfs/dbraw/zinc/49/55/62/546495562.db2.gz OYUGQTIYALVJKN-QAPCUYQASA-N 1 0 373.476 2.258 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cc(Cl)ccc2N(C)C)CC1 ZINC000177055898 546533013 /nfs/dbraw/zinc/53/30/13/546533013.db2.gz MACYOILRXKUZGS-UHFFFAOYSA-N 1 0 364.877 2.111 20 30 FEEDRO CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)c2cc(C#N)oc2C)CC1 ZINC000481005233 561222744 /nfs/dbraw/zinc/22/27/44/561222744.db2.gz MFWJLFCMAFVMKZ-UHFFFAOYSA-N 1 0 374.485 2.160 20 30 FEEDRO N#Cc1cccc(NC(=O)CC[NH+]2CCN(Cc3cccc(O)c3)CC2)c1 ZINC000177782595 546685294 /nfs/dbraw/zinc/68/52/94/546685294.db2.gz DANUIZHAWIMSBW-UHFFFAOYSA-N 1 0 364.449 2.410 20 30 FEEDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2cccc(OCCCC#N)c2)C1 ZINC000178000855 546721217 /nfs/dbraw/zinc/72/12/17/546721217.db2.gz FNFLQEHUFWVABF-NVXWUHKLSA-N 1 0 372.469 2.297 20 30 FEEDRO Cc1cc(C#N)cc(C)c1OCC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000178185673 546753892 /nfs/dbraw/zinc/75/38/92/546753892.db2.gz ZRNUNFWUXUZNAP-SFHVURJKSA-N 1 0 359.470 2.027 20 30 FEEDRO Cc1c(C#N)cccc1NC(=O)C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000178417479 546790680 /nfs/dbraw/zinc/79/06/80/546790680.db2.gz DVNPXCWUDOOVNC-GASCZTMLSA-N 1 0 356.470 2.289 20 30 FEEDRO Cc1c(C#N)cccc1NC(=O)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000178512760 546805973 /nfs/dbraw/zinc/80/59/73/546805973.db2.gz OBJJVNUGEYOUCE-UHFFFAOYSA-N 1 0 354.454 2.328 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)NCc2cc3c(cc2OC)C[C@H](C)O3)CC1 ZINC000178903934 546871236 /nfs/dbraw/zinc/87/12/36/546871236.db2.gz OJAHQSMWPSEKOE-AWEZNQCLSA-N 1 0 359.470 2.468 20 30 FEEDRO COc1ccc(C#N)cc1CN1CCc2c(cccc2NS(C)(=O)=O)C1 ZINC000178923509 546874112 /nfs/dbraw/zinc/87/41/12/546874112.db2.gz KPIYRQMDYNBQKF-UHFFFAOYSA-N 1 0 371.462 2.497 20 30 FEEDRO C=CCN(CCc1ccccc1)C(=O)C(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000481829288 561243515 /nfs/dbraw/zinc/24/35/15/561243515.db2.gz JCWAPORYRUBXNH-RBUKOAKNSA-N 1 0 371.525 2.480 20 30 FEEDRO N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)cc1 ZINC000179508307 546968607 /nfs/dbraw/zinc/96/86/07/546968607.db2.gz JBPCNYVDLRBOIT-IRXDYDNUSA-N 1 0 367.453 2.173 20 30 FEEDRO C=CCSCCNC(=O)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000179837858 547019691 /nfs/dbraw/zinc/01/96/91/547019691.db2.gz OPMZUIPWVFADKS-UHFFFAOYSA-N 1 0 361.511 2.299 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2c[nH]nc2-c2ccccc2)CC1 ZINC000180474008 547113732 /nfs/dbraw/zinc/11/37/32/547113732.db2.gz SULYHXKPADJPKK-UHFFFAOYSA-N 1 0 367.453 2.172 20 30 FEEDRO CCOc1cccc([C@H](C)[NH2+]CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)c1 ZINC000180698673 547160464 /nfs/dbraw/zinc/16/04/64/547160464.db2.gz VFWCDULMEGAANW-FXAWDEMLSA-N 1 0 372.513 2.428 20 30 FEEDRO COc1ccc(C#N)cc1NC(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000482872270 561261675 /nfs/dbraw/zinc/26/16/75/561261675.db2.gz VKBDCEDYQMJGSE-MAUKXSAKSA-N 1 0 371.485 2.057 20 30 FEEDRO COc1cccc(C[C@@H]([NH2+]CCNC(=O)C2N=CC=CC2=O)C2CC2)c1 ZINC000180872977 547198314 /nfs/dbraw/zinc/19/83/14/547198314.db2.gz PMBQCNHACIWLSP-FTHOYRMOSA-N 1 0 355.438 2.132 20 30 FEEDRO Cc1cccc(NC(=O)C[C@@H](C)[NH2+]CCNC(=O)C2N=CC=CC2=O)c1C ZINC000180871443 547198496 /nfs/dbraw/zinc/19/84/96/547198496.db2.gz KOVSIHLBHCHMRR-BVGIJJTOSA-N 1 0 370.453 2.137 20 30 FEEDRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]CCOc2ccccc2C#N)cc1 ZINC000181052915 547240306 /nfs/dbraw/zinc/24/03/06/547240306.db2.gz ZVBZJWSTFOEKSD-CQSZACIVSA-N 1 0 359.451 2.196 20 30 FEEDRO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000483173763 561269585 /nfs/dbraw/zinc/26/95/85/561269585.db2.gz IAQCMQILZCYMKK-WIYYLYMNSA-N 1 0 361.482 2.425 20 30 FEEDRO C[C@@H]([NH2+]CC(=O)N[C@@](C)(C#N)C1CC1)c1ccc(N2CCOC2=O)cc1 ZINC000181268756 547283147 /nfs/dbraw/zinc/28/31/47/547283147.db2.gz DPGFXNZKXJXXQI-YJYMSZOUSA-N 1 0 356.426 2.102 20 30 FEEDRO C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000181742391 547372170 /nfs/dbraw/zinc/37/21/70/547372170.db2.gz UFHYEOBYVGYWFC-CQSZACIVSA-N 1 0 372.469 2.295 20 30 FEEDRO C=CCCO[C@H](C)C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000483497622 561278452 /nfs/dbraw/zinc/27/84/52/561278452.db2.gz UVIHFRQYXJOCDZ-NVXWUHKLSA-N 1 0 359.470 2.304 20 30 FEEDRO C[C@@H]([NH2+]CC(=O)Nc1sccc1C#N)c1ccc(-n2ccnn2)cc1 ZINC000182036180 547426571 /nfs/dbraw/zinc/42/65/71/547426571.db2.gz IZCCPGHXXJFEDQ-GFCCVEGCSA-N 1 0 352.423 2.490 20 30 FEEDRO C[C@@H](CCNC(=O)c1ccc(-n2ncc(C#N)c2N)cc1)[NH+]1CCCCC1 ZINC000182237954 547459176 /nfs/dbraw/zinc/45/91/76/547459176.db2.gz AGEDNXXGIJUREY-HNNXBMFYSA-N 1 0 366.469 2.320 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1cnc2c(cnn2C)c1OC)C(C)C ZINC000182255828 547462722 /nfs/dbraw/zinc/46/27/22/547462722.db2.gz JOLYDRZSANFJTC-QGZVFWFLSA-N 1 0 371.485 2.405 20 30 FEEDRO O=C1[C@@H]([N+]23CCN(CC2)CC3)CCCN1Cc1cccc(C(F)(F)F)c1 ZINC000182700073 547537176 /nfs/dbraw/zinc/53/71/76/547537176.db2.gz RCDTVRMCKABNEC-KRWDZBQOSA-N 1 0 368.423 2.342 20 30 FEEDRO N#Cc1cc(F)c(C(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)c(F)c1 ZINC000183426889 547656644 /nfs/dbraw/zinc/65/66/44/547656644.db2.gz HUBYLVDSLZGVFV-MRXNPFEDSA-N 1 0 371.387 2.333 20 30 FEEDRO CCC[N@@H+]1CC[C@@H](CNC(=O)Nc2cc(C#N)ccc2OCCOC)C1 ZINC000183511302 547673452 /nfs/dbraw/zinc/67/34/52/547673452.db2.gz JGVVUGULMFIGTB-INIZCTEOSA-N 1 0 360.458 2.437 20 30 FEEDRO N#Cc1ccc(OC[C@H](O)CN2CCO[C@@H](COc3ccccc3)C2)cc1 ZINC000484541924 561299507 /nfs/dbraw/zinc/29/95/07/561299507.db2.gz GNYYQXGBNLJEDT-WIYYLYMNSA-N 1 0 368.433 2.078 20 30 FEEDRO CC[C@@H]1CN(CC(=O)N[C@@](C)(C#N)C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000183753532 547713166 /nfs/dbraw/zinc/71/31/66/547713166.db2.gz FLPLFARFYPXSNO-CTNGQTDRSA-N 1 0 354.498 2.391 20 30 FEEDRO CCO[C@@H]1COCC[C@H]1[NH2+][C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000484654821 561302509 /nfs/dbraw/zinc/30/25/09/561302509.db2.gz SAVLGKNDVDSRHJ-RWBIUQBRSA-N 1 0 351.491 2.089 20 30 FEEDRO CC(C)[C@H](Oc1ccccc1C#N)C(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1 ZINC000184328782 547808374 /nfs/dbraw/zinc/80/83/74/547808374.db2.gz NABUWOTYGRSEFG-PXNSSMCTSA-N 1 0 372.513 2.104 20 30 FEEDRO COCCOc1ccc(C#N)cc1NC(=O)N1CC[N@H+](C)C[C@@H]1C(C)C ZINC000184622603 547855393 /nfs/dbraw/zinc/85/53/93/547855393.db2.gz NFNNXLZEFBSUKO-QGZVFWFLSA-N 1 0 360.458 2.387 20 30 FEEDRO N#Cc1cccnc1-n1cc(NC(=O)N2CCC([NH+]3CCCC3)CC2)cn1 ZINC000184645664 547860091 /nfs/dbraw/zinc/86/00/91/547860091.db2.gz XAXBDKXACGORRT-UHFFFAOYSA-N 1 0 365.441 2.231 20 30 FEEDRO COc1cc(C#N)ccc1S(=O)(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000185914188 548058193 /nfs/dbraw/zinc/05/81/93/548058193.db2.gz YGQGFMAYMBIFIQ-AWEZNQCLSA-N 1 0 351.472 2.110 20 30 FEEDRO N#Cc1c(F)cccc1C(=O)Nc1cccc(CN2CCC[C@H]2C(N)=O)c1 ZINC000187042539 548246356 /nfs/dbraw/zinc/24/63/56/548246356.db2.gz SFCJYMPRHNJODW-SFHVURJKSA-N 1 0 366.396 2.399 20 30 FEEDRO COC[C@H](C)NC(=[NH2+])NCc1ccc2c(c1)CN(C(=O)OC(C)(C)C)C2 ZINC000187132980 548252461 /nfs/dbraw/zinc/25/24/61/548252461.db2.gz ALGREUXZEHGRLQ-ZDUSSCGKSA-N 1 0 362.474 2.377 20 30 FEEDRO CO/N=C/c1ccc(C(=O)NC2CC[NH+](Cc3cccnc3)CC2)cc1 ZINC000187788812 548264073 /nfs/dbraw/zinc/26/40/73/548264073.db2.gz QEDRZYOOFMPQCU-HYARGMPZSA-N 1 0 352.438 2.456 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)NOCc2ccc(F)cc2Br)CC1 ZINC000188923067 548291496 /nfs/dbraw/zinc/29/14/96/548291496.db2.gz KKFWGFGGTHQICG-UHFFFAOYSA-N 1 0 369.234 2.481 20 30 FEEDRO CC(C)[NH+]1CCN(CCC[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)CC1 ZINC000191575045 548348371 /nfs/dbraw/zinc/34/83/71/548348371.db2.gz FSTSPTJMQBOCAJ-JOCHJYFZSA-N 1 0 369.557 2.285 20 30 FEEDRO CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH2+][C@H]2CCCc3c(O)cccc32)CC1 ZINC000192368964 548362688 /nfs/dbraw/zinc/36/26/88/548362688.db2.gz ZOXUAULWDVUPIG-RBUKOAKNSA-N 1 0 370.497 2.052 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cccc2c1OCO2 ZINC000486926370 561359723 /nfs/dbraw/zinc/35/97/23/561359723.db2.gz ODKWHGOGNOXJFH-UHFFFAOYSA-N 1 0 351.406 2.491 20 30 FEEDRO CN1CCC([NH+]2CCC(NC(=O)Nc3ccc(CC#N)cc3)CC2)CC1 ZINC000195342665 548629008 /nfs/dbraw/zinc/62/90/08/548629008.db2.gz MZNDDDFIQYORGN-UHFFFAOYSA-N 1 0 355.486 2.433 20 30 FEEDRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N ZINC000487429319 561369600 /nfs/dbraw/zinc/36/96/00/561369600.db2.gz JCOHAPDXMAOJCB-PBHICJAKSA-N 1 0 354.454 2.406 20 30 FEEDRO CN(C(=O)CSCC#N)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000245715794 548981562 /nfs/dbraw/zinc/98/15/62/548981562.db2.gz OOSKEMYMULGFSV-DLBZAZTESA-N 1 0 352.548 2.039 20 30 FEEDRO C=CCCC[C@H](C)NC(=O)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000488209897 561386213 /nfs/dbraw/zinc/38/62/13/561386213.db2.gz OJFBSZBJYWGDQT-JENIJYKNSA-N 1 0 357.498 2.484 20 30 FEEDRO Cc1cc(C[NH+]2CCC(CC(=O)N3CCN(C)CC3)CC2)ccc1C#N ZINC000488226939 561386521 /nfs/dbraw/zinc/38/65/21/561386521.db2.gz DLUHAQCUISANCY-UHFFFAOYSA-N 1 0 354.498 2.243 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)NCc1ccnc2ccnn21)C(C)C ZINC000488275282 561387251 /nfs/dbraw/zinc/38/72/51/561387251.db2.gz YBSDNIWZUDJQOE-QGZVFWFLSA-N 1 0 356.474 2.227 20 30 FEEDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2S(=O)(=O)c2ccc(Cl)cc2C#N)C1 ZINC000246484086 549142495 /nfs/dbraw/zinc/14/24/95/549142495.db2.gz BANWSNUAZPTAGN-WFASDCNBSA-N 1 0 353.875 2.316 20 30 FEEDRO Cc1sc(NC(=O)CN2CCS[C@H]3COCC[C@H]32)c(C#N)c1C ZINC000246760539 549206929 /nfs/dbraw/zinc/20/69/29/549206929.db2.gz HRLPHQYCFYNVFF-KGLIPLIRSA-N 1 0 351.497 2.381 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)CCN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000247012302 549264301 /nfs/dbraw/zinc/26/43/01/549264301.db2.gz XLIZXLZUVVJZCA-PXNSSMCTSA-N 1 0 373.522 2.281 20 30 FEEDRO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H](Oc3ncccc3F)C2)cc1 ZINC000489025180 561401927 /nfs/dbraw/zinc/40/19/27/561401927.db2.gz GRHZMIMGCAIHBX-AEFFLSMTSA-N 1 0 371.412 2.375 20 30 FEEDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)NCc2cccc(C#N)c2)[C@@H](C)C1 ZINC000247249388 549306407 /nfs/dbraw/zinc/30/64/07/549306407.db2.gz PJDHTXYVLAUOQL-QFBILLFUSA-N 1 0 358.486 2.494 20 30 FEEDRO C=CCCCS(=O)(=O)N1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000489215039 561405790 /nfs/dbraw/zinc/40/57/90/561405790.db2.gz HOBDERJGNJQBPF-UHFFFAOYSA-N 1 0 365.543 2.032 20 30 FEEDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)Nc3cnn(-c4ncccc4C#N)c3)CC[C@H]21 ZINC000248395069 549427027 /nfs/dbraw/zinc/42/70/27/549427027.db2.gz OBRBUGPQQNDROB-NVXWUHKLSA-N 1 0 365.441 2.087 20 30 FEEDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000248691967 549484936 /nfs/dbraw/zinc/48/49/36/549484936.db2.gz ZCLOGPYCKKKTMX-GJZGRUSLSA-N 1 0 373.501 2.290 20 30 FEEDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NS(=O)(=O)Cc1cccc(C#N)c1 ZINC000248699488 549485804 /nfs/dbraw/zinc/48/58/04/549485804.db2.gz AAQFAISRYNUHQN-OXJNMPFZSA-N 1 0 369.490 2.498 20 30 FEEDRO C=CCSc1ccccc1NC(=O)CN1CC[N@@H+](C[C@H](C)O)C[C@@H]1C ZINC000249517370 549599342 /nfs/dbraw/zinc/59/93/42/549599342.db2.gz RZKDRKCHTKICQT-HOTGVXAUSA-N 1 0 363.527 2.290 20 30 FEEDRO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000249708466 549617634 /nfs/dbraw/zinc/61/76/34/549617634.db2.gz CCARABVSCGMMRN-DLBZAZTESA-N 1 0 356.470 2.345 20 30 FEEDRO CC[NH+]=C(NCc1cnn(C)c1)N(C)Cc1cc(Br)cn1C ZINC000261677316 549742722 /nfs/dbraw/zinc/74/27/22/549742722.db2.gz CRKQCEOSSBOMRI-UHFFFAOYSA-N 1 0 367.295 2.119 20 30 FEEDRO C[NH+]=C(NCc1nc2cc(Cl)ccc2s1)N1CCO[C@H](COC)C1 ZINC000261995380 549777849 /nfs/dbraw/zinc/77/78/49/549777849.db2.gz STIAOHBKSAIFHM-LBPRGKRZSA-N 1 0 368.890 2.372 20 30 FEEDRO CC[NH+]=C(NCc1cn2c(n1)CCCC2)N1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000262019210 549780536 /nfs/dbraw/zinc/78/05/36/549780536.db2.gz YKXNLEIFIGIBEE-WMZOPIPTSA-N 1 0 369.517 2.465 20 30 FEEDRO C[C@@H]([NH3+])C1CCN(S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)CC1 ZINC000262059298 549784550 /nfs/dbraw/zinc/78/45/50/549784550.db2.gz NSVYJISUYDKNPZ-SNVBAGLBSA-N 1 0 361.389 2.325 20 30 FEEDRO Cc1cc(C)c(CNC(NC[C@@H]2CCS(=O)(=O)C2)=[NH+]C(C)C)c(C)c1 ZINC000262340911 549812436 /nfs/dbraw/zinc/81/24/36/549812436.db2.gz CPLLYBXPJNEGCL-KRWDZBQOSA-N 1 0 365.543 2.490 20 30 FEEDRO C[NH+]=C(NCC(=O)N1CCc2ccccc2C1)NCc1sccc1C ZINC000262380390 549815562 /nfs/dbraw/zinc/81/55/62/549815562.db2.gz KIVIMRXXLXTGNA-UHFFFAOYSA-N 1 0 356.495 2.306 20 30 FEEDRO CC[NH+]=C(NC[C@](C)(O)c1ccsc1)N[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000262465637 549822332 /nfs/dbraw/zinc/82/23/32/549822332.db2.gz YDWOJIQITWDKRH-ADAWSYLGSA-N 1 0 351.516 2.324 20 30 FEEDRO C=C(C)CNC(=[NH+]C[C@@H]1CCS(=O)(=O)C1)N1CCc2ccccc2C1 ZINC000263225708 549887386 /nfs/dbraw/zinc/88/73/86/549887386.db2.gz GKASCGZBEUGWNG-INIZCTEOSA-N 1 0 361.511 2.001 20 30 FEEDRO C=CCN(Cc1ccccc1)C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000263642504 549911828 /nfs/dbraw/zinc/91/18/28/549911828.db2.gz ADZYLMDLOXLFQC-LJQANCHMSA-N 1 0 372.513 2.327 20 30 FEEDRO C[N@H+](CCOc1cccc(CNc2nccnc2C#N)c1)C1CCOCC1 ZINC000263936841 549957254 /nfs/dbraw/zinc/95/72/54/549957254.db2.gz CVAFXPAHSCOJGZ-UHFFFAOYSA-N 1 0 367.453 2.450 20 30 FEEDRO CCc1cccc(NC(=[NH2+])NCc2ccccc2S(=O)(=O)N(C)C)c1 ZINC000264056244 549973814 /nfs/dbraw/zinc/97/38/14/549973814.db2.gz BCBIDGKKEIIFFK-UHFFFAOYSA-N 1 0 360.483 2.426 20 30 FEEDRO CCOC(=O)N1CCC(NC(=[NH2+])NC[C@@H]2CCN(c3ccccc3)C2)CC1 ZINC000264106196 549979448 /nfs/dbraw/zinc/97/94/48/549979448.db2.gz PREFRRWIZWTVMN-INIZCTEOSA-N 1 0 373.501 2.038 20 30 FEEDRO N#Cc1cc(S(=O)(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)ccc1F ZINC000264147485 549985270 /nfs/dbraw/zinc/98/52/70/549985270.db2.gz ZHXIAAPOJFDCNT-OAHLLOKOSA-N 1 0 351.447 2.336 20 30 FEEDRO C=CCN(CC=C)C(=O)C[N@H+]1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000264181516 549988805 /nfs/dbraw/zinc/98/88/05/549988805.db2.gz KNFMGWQMOURQGH-INIZCTEOSA-N 1 0 351.491 2.376 20 30 FEEDRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)NCC#Cc2ccccc2)CC1 ZINC000264285118 549993990 /nfs/dbraw/zinc/99/39/90/549993990.db2.gz SONQRFVNTWDLKQ-PMACEKPBSA-N 1 0 368.525 2.238 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCN(c3ccccc3C#N)CC2)CC1 ZINC000264355148 549994243 /nfs/dbraw/zinc/99/42/43/549994243.db2.gz DSHHJEFSMSULQY-UHFFFAOYSA-N 1 0 367.497 2.430 20 30 FEEDRO CCN(CC)S(=O)(=O)c1ccc(CCNC(=[NH2+])NC2CCCC2)s1 ZINC000264327673 549994421 /nfs/dbraw/zinc/99/44/21/549994421.db2.gz ZIMVOLDTALVRCD-UHFFFAOYSA-N 1 0 372.560 2.168 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)NCc2cc(OC)c(OC)c(OC)c2)CC1 ZINC000264346133 549994743 /nfs/dbraw/zinc/99/47/43/549994743.db2.gz ADIKDCXYAQJDTO-UHFFFAOYSA-N 1 0 363.458 2.162 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)NCCOc2cccc(NC(C)=O)c2)CC1 ZINC000264418564 549996097 /nfs/dbraw/zinc/99/60/97/549996097.db2.gz WCSVCHFFMRKSMX-UHFFFAOYSA-N 1 0 374.485 2.364 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)c2[nH]nc(C3CC3)c2Br)CC1 ZINC000264490419 549996512 /nfs/dbraw/zinc/99/65/12/549996512.db2.gz NSRWMZFVZXJVTI-UHFFFAOYSA-N 1 0 353.264 2.430 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)COc2cccc(N3CCCC3=O)c2)CC1 ZINC000264490484 549996640 /nfs/dbraw/zinc/99/66/40/549996640.db2.gz NZUOWTISTJNTFV-UHFFFAOYSA-N 1 0 371.481 2.349 20 30 FEEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCC(C)(C)[NH+](C)C ZINC000264515738 549997277 /nfs/dbraw/zinc/99/72/77/549997277.db2.gz AAWCMYWOLKJPID-CYBMUJFWSA-N 1 0 362.499 2.476 20 30 FEEDRO N#C[C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)CCN1Cc1ccccc1 ZINC000265113055 550006176 /nfs/dbraw/zinc/00/61/76/550006176.db2.gz DWCCNMQCCJJRFQ-VAMGGRTRSA-N 1 0 367.497 2.033 20 30 FEEDRO N#C[C@@H]1CN(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)CCN1Cc1ccccc1 ZINC000265113053 550006216 /nfs/dbraw/zinc/00/62/16/550006216.db2.gz DWCCNMQCCJJRFQ-HSALFYBXSA-N 1 0 367.497 2.033 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[S@](=O)[C@@H](C)[C@H]1C)C(C)C ZINC000265536522 550011311 /nfs/dbraw/zinc/01/13/11/550011311.db2.gz DSXPDIJRIQYFPQ-YGFZKVPJSA-N 1 0 355.548 2.236 20 30 FEEDRO C[NH+](C)CCOc1ccccc1N1CCN(C(=O)C2(C#N)CCCC2)CC1 ZINC000265609845 550012148 /nfs/dbraw/zinc/01/21/48/550012148.db2.gz GUEZKCPSBHWJIR-UHFFFAOYSA-N 1 0 370.497 2.360 20 30 FEEDRO C=CCc1ccc(OC[C@H](O)CNC(C)(C)C(=O)OCC)c(OC)c1 ZINC000266012417 550015983 /nfs/dbraw/zinc/01/59/83/550015983.db2.gz SODTUAGESKANPX-OAHLLOKOSA-N 1 0 351.443 2.095 20 30 FEEDRO CCN(CC)C(=[NH2+])NCCC(=O)N(C)Cc1ccccc1Br ZINC000267377023 550030442 /nfs/dbraw/zinc/03/04/42/550030442.db2.gz AHOSFFVJSUSALL-UHFFFAOYSA-N 1 0 369.307 2.454 20 30 FEEDRO CCOC(=O)N1CCC(NC(=[NH2+])NCc2cccc(N3CC=CC3)c2)CC1 ZINC000267428027 550031849 /nfs/dbraw/zinc/03/18/49/550031849.db2.gz LTHZLRHZOQYDLE-UHFFFAOYSA-N 1 0 371.485 2.088 20 30 FEEDRO C=CC[N@@H+](CCc1ccco1)C[C@H](O)Cn1c(=O)onc1-c1ccccc1 ZINC000491331307 561444723 /nfs/dbraw/zinc/44/47/23/561444723.db2.gz XNHBUFCGFSCEOE-KRWDZBQOSA-N 1 0 369.421 2.188 20 30 FEEDRO C[C@@H](NC(=O)C(=O)Nc1ccc(C#N)cc1Cl)C(C)(C)C[NH+](C)C ZINC000491446504 561445608 /nfs/dbraw/zinc/44/56/08/561445608.db2.gz MMHUGVFFBTVHPT-LLVKDONJSA-N 1 0 350.850 2.243 20 30 FEEDRO CN(CC[NH2+]Cc1ccc(C#N)cc1F)S(=O)(=O)c1cccs1 ZINC000269433123 550194978 /nfs/dbraw/zinc/19/49/78/550194978.db2.gz QDZHNHSKCOCBME-UHFFFAOYSA-N 1 0 353.444 2.169 20 30 FEEDRO CCN1CC[NH+](C[C@@H](C)CNC(=O)NC2(c3cccc(C#N)c3)CC2)CC1 ZINC000269682778 550216469 /nfs/dbraw/zinc/21/64/69/550216469.db2.gz NBMBZMKFBSPYAT-KRWDZBQOSA-N 1 0 369.513 2.120 20 30 FEEDRO CS[C@@H]1CN(CC(=O)Nc2cc(Cl)ccc2C#N)C[C@H]1[NH+](C)C ZINC000270639249 550291535 /nfs/dbraw/zinc/29/15/35/550291535.db2.gz ITWQELBXBHOJRA-HUUCEWRRSA-N 1 0 352.891 2.128 20 30 FEEDRO CS[C@@H]1CN(C(=O)CCCC(=O)Nc2ccccc2C#N)C[C@H]1[NH+](C)C ZINC000271145756 550344896 /nfs/dbraw/zinc/34/48/96/550344896.db2.gz PQMBTIACEYHKKR-IAGOWNOFSA-N 1 0 374.510 2.171 20 30 FEEDRO C#CCC[NH+]1CCN(CCC(=O)Nc2sc3c(c2C#N)CCCC3)CC1 ZINC000271995574 550415047 /nfs/dbraw/zinc/41/50/47/550415047.db2.gz FXLMABJIDDDBIJ-UHFFFAOYSA-N 1 0 370.522 2.468 20 30 FEEDRO C[C@H]([NH2+]CCCOc1cccc(C#N)c1)c1cccc(S(N)(=O)=O)c1 ZINC000272131149 550424511 /nfs/dbraw/zinc/42/45/11/550424511.db2.gz SIZHSJJSTGJUMT-AWEZNQCLSA-N 1 0 359.451 2.325 20 30 FEEDRO C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)Nc3ccccc3SCCC#N)[C@H]2C1 ZINC000272358768 550440647 /nfs/dbraw/zinc/44/06/47/550440647.db2.gz RVNWMWNHXRAYJC-HOCLYGCPSA-N 1 0 372.494 2.183 20 30 FEEDRO O=C(NCC#Cc1ccccc1)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000272747769 550468506 /nfs/dbraw/zinc/46/85/06/550468506.db2.gz ICCVKWDICVAABT-NRFANRHFSA-N 1 0 363.461 2.104 20 30 FEEDRO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@H](CO)c1ccc(Br)cc1 ZINC000273097524 550484838 /nfs/dbraw/zinc/48/48/38/550484838.db2.gz LFHOHCVEXYQULE-SWLSCSKDSA-N 1 0 368.275 2.080 20 30 FEEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CC1 ZINC000494487315 561470650 /nfs/dbraw/zinc/47/06/50/561470650.db2.gz QLAUWXMQQDDHBS-MJGOQNOKSA-N 1 0 374.485 2.109 20 30 FEEDRO CCCN(CC(=O)Nc1ccccc1OC)[C@H](C)C(=O)N(C)CCC#N ZINC000274074144 550522074 /nfs/dbraw/zinc/52/20/74/550522074.db2.gz KNPMMPWHWZEUTP-OAHLLOKOSA-N 1 0 360.458 2.106 20 30 FEEDRO N#Cc1ccc(CN2C(=O)N[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2=O)cc1 ZINC000274351516 550533793 /nfs/dbraw/zinc/53/37/93/550533793.db2.gz SKNCUHRVTOIERV-OAQYLSRUSA-N 1 0 360.417 2.255 20 30 FEEDRO C=C(C)COc1cccc(NC(=O)C(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)c1 ZINC000276057390 550576282 /nfs/dbraw/zinc/57/62/82/550576282.db2.gz KKFVUTQYOMIAQB-HNNXBMFYSA-N 1 0 357.454 2.347 20 30 FEEDRO C#CCC1(C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)CCCCC1 ZINC000276304584 550577757 /nfs/dbraw/zinc/57/77/57/550577757.db2.gz ORDQJKVPZATFLS-UHFFFAOYSA-N 1 0 354.498 2.423 20 30 FEEDRO C[NH+](C)[C@H]1CCCN(CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CC1 ZINC000277208065 550643365 /nfs/dbraw/zinc/64/33/65/550643365.db2.gz MZXSTNBIKHUJNI-KRWDZBQOSA-N 1 0 366.469 2.099 20 30 FEEDRO CCCn1ccnc1CCC[N@H+](C)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000277326505 550656890 /nfs/dbraw/zinc/65/68/90/550656890.db2.gz VJGKSHIKEHXGMF-GOSISDBHSA-N 1 0 356.470 2.469 20 30 FEEDRO C#CCOc1ccc(C[NH+]2CCC(c3nc(C(=O)OCC)n[nH]3)CC2)cc1 ZINC000278712187 550813826 /nfs/dbraw/zinc/81/38/26/550813826.db2.gz ORSFXCFVKNWDDB-UHFFFAOYSA-N 1 0 368.437 2.373 20 30 FEEDRO CCn1nccc1C1CC[NH+](C[C@H](O)COc2ccc(C#N)cc2)CC1 ZINC000278763471 550819539 /nfs/dbraw/zinc/81/95/39/550819539.db2.gz BSCZGJUQLCTTMG-SFHVURJKSA-N 1 0 354.454 2.394 20 30 FEEDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1CCC(=O)Nc1ccccc1C#N ZINC000278806885 550823947 /nfs/dbraw/zinc/82/39/47/550823947.db2.gz ZQLYFUDNOPBWFL-MRXNPFEDSA-N 1 0 356.470 2.072 20 30 FEEDRO C#CCn1ccc(CN(CC)C(=O)NC[C@H](c2ccccc2)[NH+](C)C)n1 ZINC000279166463 550860867 /nfs/dbraw/zinc/86/08/67/550860867.db2.gz FGFHGGRDFHQAOA-LJQANCHMSA-N 1 0 353.470 2.351 20 30 FEEDRO CC(C)C(=O)NCC[N@H+](C)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000279463759 550893273 /nfs/dbraw/zinc/89/32/73/550893273.db2.gz UTWSISKETGOHHY-UHFFFAOYSA-N 1 0 354.458 2.063 20 30 FEEDRO C[NH+]1CCN(CCNc2nc3c(c(C#N)c2C#N)CCCCCC3)CC1 ZINC000280007517 550951827 /nfs/dbraw/zinc/95/18/27/550951827.db2.gz IMKNNXDLLRXYFS-UHFFFAOYSA-N 1 0 352.486 2.143 20 30 FEEDRO C[NH+](C)C1CCN(c2ccc(NC(=O)c3ccnc(C#N)c3)nc2)CC1 ZINC000280028039 550954013 /nfs/dbraw/zinc/95/40/13/550954013.db2.gz UQQQTJYMXIUDBV-UHFFFAOYSA-N 1 0 350.426 2.131 20 30 FEEDRO C=C(C)[C@H]1OCC[C@H]1C(=O)NCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000280162933 550966876 /nfs/dbraw/zinc/96/68/76/550966876.db2.gz IGAYHVBYFKJMJH-XUVXKRRUSA-N 1 0 358.482 2.241 20 30 FEEDRO C[S@](=O)C1(C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)CCC1 ZINC000280528918 551004493 /nfs/dbraw/zinc/00/44/93/551004493.db2.gz BQJVECWQNFPDSC-VWLOTQADSA-N 1 0 357.483 2.250 20 30 FEEDRO COc1ccc([C@H](C)[C@H](C)[NH2+]CCNC(=O)C2N=CC=CC2=O)cc1OC ZINC000280941140 551047787 /nfs/dbraw/zinc/04/77/87/551047787.db2.gz QVVAQDYDIZULQJ-AYWQHFJISA-N 1 0 373.453 2.312 20 30 FEEDRO C=CCN1CC[C@@H](N(C)CC(=O)Nc2ccc(N3CCCCC3)cc2)C1=O ZINC000281219709 551075166 /nfs/dbraw/zinc/07/51/66/551075166.db2.gz DSLXXHWMZONTAL-LJQANCHMSA-N 1 0 370.497 2.334 20 30 FEEDRO CCC[C@@H]1CN(C(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)CC[N@@H+]1CCOC ZINC000281644684 551124672 /nfs/dbraw/zinc/12/46/72/551124672.db2.gz RIGAZHUZNKDLMC-WOJBJXKFSA-N 1 0 368.481 2.200 20 30 FEEDRO C=CCN1CC[C@H](N(C)C(=O)c2ccc(OCC[NH+](CC)CC)cc2)C1=O ZINC000281700339 551132592 /nfs/dbraw/zinc/13/25/92/551132592.db2.gz LZOFHGYOHGYUML-IBGZPJMESA-N 1 0 373.497 2.266 20 30 FEEDRO C=CCN1CC[C@@H]([N@H+](C)C[C@H](O)COc2ccccc2C(F)(F)F)C1=O ZINC000281869016 551150937 /nfs/dbraw/zinc/15/09/37/551150937.db2.gz BZQLRAYHGIMDBB-DZGCQCFKSA-N 1 0 372.387 2.164 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCc1ccccc1OCC[NH+](C)C ZINC000281973176 551164498 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FEEDRO C=CCSCCNC(=O)C(=O)NCc1ccccc1C[NH+](CC)CC ZINC000284737247 551621286 /nfs/dbraw/zinc/62/12/86/551621286.db2.gz PQSGHQMBTFJQNH-UHFFFAOYSA-N 1 0 363.527 2.180 20 30 FEEDRO C=CCOc1ccccc1CNC(=O)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000284983389 551683421 /nfs/dbraw/zinc/68/34/21/551683421.db2.gz IRERWZDOYWZBRG-UHFFFAOYSA-N 1 0 373.497 2.247 20 30 FEEDRO C=CCN(CCc1ccco1)C(=O)C(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000285277712 551730885 /nfs/dbraw/zinc/73/08/85/551730885.db2.gz ZTOOYEOVKFUYQZ-IRXDYDNUSA-N 1 0 361.486 2.073 20 30 FEEDRO C=CCN(Cc1ccccc1)C(=O)C(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000285300816 551734408 /nfs/dbraw/zinc/73/44/08/551734408.db2.gz ORSUJOXRDZATQE-UHFFFAOYSA-N 1 0 357.498 2.438 20 30 FEEDRO C=CCc1ccc(OC[C@@H](O)C[NH2+][C@@H](c2nncn2C)C(C)C)c(OC)c1 ZINC000285305501 551735148 /nfs/dbraw/zinc/73/51/48/551735148.db2.gz HRAGZPVCTSMUPA-QFBILLFUSA-N 1 0 374.485 2.279 20 30 FEEDRO C=CCOc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3CC(=O)N(C)C)c1 ZINC000285468095 551760789 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N#Cc1ccc(N2CC[C@@H](C(=O)N3CC[NH+](CC4CC4)CC3)C2)c(F)c1 ZINC000286562570 551900124 /nfs/dbraw/zinc/90/01/24/551900124.db2.gz VHCJNCYNEIKQJO-QGZVFWFLSA-N 1 0 356.445 2.078 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N(C)[C@H](C)c2cc(F)ccc2F)CC1 ZINC000286795329 551926695 /nfs/dbraw/zinc/92/66/95/551926695.db2.gz UOFMZIASYMWQRF-CYBMUJFWSA-N 1 0 365.424 2.251 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(C)Cc2ccc(F)cc2F)CC1 ZINC000286867017 551934698 /nfs/dbraw/zinc/93/46/98/551934698.db2.gz ZZXNHUHDJZXWST-UHFFFAOYSA-N 1 0 365.424 2.080 20 30 FEEDRO C#CC[C@H](Cc1ccccc1)NC(=O)NC[C@H](C)C[NH+]1CCN(CC)CC1 ZINC000286887879 551936874 /nfs/dbraw/zinc/93/68/74/551936874.db2.gz DSBZEXFLQYWEHH-PZJWPPBQSA-N 1 0 370.541 2.194 20 30 FEEDRO COc1ccc(NC(=[NH2+])NCc2ccncc2OC[C@@H]2CCOC2)cc1 ZINC000286948354 551943588 /nfs/dbraw/zinc/94/35/88/551943588.db2.gz ALUSULKBCQKPET-CQSZACIVSA-N 1 0 356.426 2.432 20 30 FEEDRO C#CC[C@@H](Cc1ccccc1)NC(=O)NC1CC[NH+](CCCOC)CC1 ZINC000287388898 551997449 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Cc1onc(CC(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1C#N ZINC000499873532 561560238 /nfs/dbraw/zinc/56/02/38/561560238.db2.gz MOZDIORGLNRLDT-KRWDZBQOSA-N 1 0 352.438 2.378 20 30 FEEDRO C[C@@H]1CCC[C@H]1CNC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000499915653 561561417 /nfs/dbraw/zinc/56/14/17/561561417.db2.gz PHOYLPPEKPUKTG-APWZRJJASA-N 1 0 370.497 2.001 20 30 FEEDRO C=CCCCN(C)C(=O)C(=O)N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000289034045 552256001 /nfs/dbraw/zinc/25/60/01/552256001.db2.gz GFJVEVUNBNXHRW-IEBWSBKVSA-N 1 0 357.498 2.438 20 30 FEEDRO C#C[C@@H](NC(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1)C(C)(C)C ZINC000289126191 552269968 /nfs/dbraw/zinc/26/99/68/552269968.db2.gz IYUIBRRVXGSDJD-LJQANCHMSA-N 1 0 357.498 2.490 20 30 FEEDRO CC(C)[C@](C)(C#N)NC(=O)C[N@H+](C)C1CCN(C(=O)c2ccccc2)CC1 ZINC000500213090 561567943 /nfs/dbraw/zinc/56/79/43/561567943.db2.gz RVPACFCMIJYTDD-NRFANRHFSA-N 1 0 370.497 2.277 20 30 FEEDRO COc1ccc(C[NH2+]CCS(=O)(=O)C(C)C)cc1OCCCC#N ZINC000289222766 552284755 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N#Cc1ccc(NC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1F ZINC000290763249 552534096 /nfs/dbraw/zinc/53/40/96/552534096.db2.gz KMLMKPUREOUEJU-KBXCAEBGSA-N 1 0 370.428 2.111 20 30 FEEDRO Cc1cccc(OC[C@@H](O)C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)c1 ZINC000292120136 552695757 /nfs/dbraw/zinc/69/57/57/552695757.db2.gz HYMFROAUDQCIIK-HKUYNNGSSA-N 1 0 353.422 2.155 20 30 FEEDRO N#Cc1ccc(O[C@@H]2CC[N@@H+](C[C@@H]3CN(c4ccccc4)C(=O)O3)C2)nc1 ZINC000292156197 552699098 /nfs/dbraw/zinc/69/90/98/552699098.db2.gz KNTHFQMIPCJQBO-QZTJIDSGSA-N 1 0 364.405 2.432 20 30 FEEDRO C[N@@H+]1CCC[C@]2(CCN(S(=O)(=O)c3ccc(Cl)cc3C#N)C2)C1 ZINC000292715817 552752030 /nfs/dbraw/zinc/75/20/30/552752030.db2.gz FKZZUCHAIMGDNO-INIZCTEOSA-N 1 0 353.875 2.318 20 30 FEEDRO Cc1cc(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)ccc1-n1cncn1 ZINC000292781225 552758004 /nfs/dbraw/zinc/75/80/04/552758004.db2.gz LKRLZTAJTXEQEW-SFHVURJKSA-N 1 0 360.421 2.496 20 30 FEEDRO CC(C)(CO)[C@@H]([NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1)C1CC1 ZINC000293037569 552782954 /nfs/dbraw/zinc/78/29/54/552782954.db2.gz LTDWMAGCXFJGHE-SFHVURJKSA-N 1 0 367.453 2.069 20 30 FEEDRO N#Cc1ccsc1NC(=O)C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000293047499 552783777 /nfs/dbraw/zinc/78/37/77/552783777.db2.gz NUOCCJWBBPPNAT-MRXNPFEDSA-N 1 0 368.462 2.339 20 30 FEEDRO CC[N@H+](C)Cc1cccc(CNC(=O)C(=O)Nc2sccc2C#N)c1 ZINC000293280641 552806528 /nfs/dbraw/zinc/80/65/28/552806528.db2.gz FKEDENADRQDCRY-UHFFFAOYSA-N 1 0 356.451 2.326 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2CCC[C@H]2C[NH+]2CCCCC2)cc1F ZINC000293505415 552830526 /nfs/dbraw/zinc/83/05/26/552830526.db2.gz SATWOXMUSZBIIB-HNNXBMFYSA-N 1 0 351.447 2.336 20 30 FEEDRO N#Cc1ccc(NC(=O)C(=O)N2CCC(CCC[NH+]3CCCC3)CC2)nc1 ZINC000293593732 552838604 /nfs/dbraw/zinc/83/86/04/552838604.db2.gz FJLGXFNVWVTKJJ-UHFFFAOYSA-N 1 0 369.469 2.006 20 30 FEEDRO CC[N@@H+](Cc1cc(C#N)n(C)c1)C[C@@H](O)COc1ccc(CCOC)cc1 ZINC000293722316 552850386 /nfs/dbraw/zinc/85/03/86/552850386.db2.gz UBKPYSCXCZUWKP-HXUWFJFHSA-N 1 0 371.481 2.347 20 30 FEEDRO C#CC[N@@H+](C)CCCNC(=O)c1nnn(-c2ccc(OC(C)C)cc2)c1C ZINC000293903559 552866444 /nfs/dbraw/zinc/86/64/44/552866444.db2.gz FMKQPXRFURJKFA-UHFFFAOYSA-N 1 0 369.469 2.048 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)c1ccc(CNC(=O)c2cccs2)cc1 ZINC000293987813 552873104 /nfs/dbraw/zinc/87/31/04/552873104.db2.gz NLWVDOTZANAQPJ-UHFFFAOYSA-N 1 0 369.490 2.363 20 30 FEEDRO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@H](CC(C)(C)C(N)=O)C1 ZINC000295085563 552957604 /nfs/dbraw/zinc/95/76/04/552957604.db2.gz BLIIJTAIKSLZSH-GDBMZVCRSA-N 1 0 356.470 2.499 20 30 FEEDRO C[C@@H]1CN(C(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)CC[N@@H+](C2CC2)C1 ZINC000295260505 552977839 /nfs/dbraw/zinc/97/78/39/552977839.db2.gz FZBCHMLQSKTCJN-RDJZCZTQSA-N 1 0 370.472 2.466 20 30 FEEDRO C[NH+](C)CCN(Cc1cccc(F)c1)S(=O)(=O)CC(C)(C)CC#N ZINC000295498809 553016893 /nfs/dbraw/zinc/01/68/93/553016893.db2.gz SHOVVVMISGJSKC-UHFFFAOYSA-N 1 0 355.479 2.459 20 30 FEEDRO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)N2CC[C@H](OC(=O)N(C)C)C2)cc1 ZINC000296590640 553183950 /nfs/dbraw/zinc/18/39/50/553183950.db2.gz FLSSKBDCISOUCX-AEFFLSMTSA-N 1 0 372.469 2.403 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)N1CCC(C(=O)Nc2cccc(F)c2)CC1 ZINC000296804095 553214050 /nfs/dbraw/zinc/21/40/50/553214050.db2.gz IGUZJFCHTCVLBC-UHFFFAOYSA-N 1 0 374.460 2.141 20 30 FEEDRO CC[C@@H](C)[NH+]1CCN(C(=O)CCc2c(C)nc3c(C#N)cnn3c2C)CC1 ZINC000296988362 553239054 /nfs/dbraw/zinc/23/90/54/553239054.db2.gz PNWNKTKKGCSZSF-CQSZACIVSA-N 1 0 368.485 2.093 20 30 FEEDRO C=CCCO[C@H](C)C(=O)N1CC[C@@H](c2ccc(OC)c(F)c2)[C@H]([NH3+])C1 ZINC000297228187 553266489 /nfs/dbraw/zinc/26/64/89/553266489.db2.gz OOLUTDNLWZOLOZ-UKPHBRMFSA-N 1 0 350.434 2.459 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)N1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 ZINC000297484319 553298403 /nfs/dbraw/zinc/29/84/03/553298403.db2.gz MUUIWYAKUJCMPE-AQNXPRMDSA-N 1 0 355.482 2.156 20 30 FEEDRO CC#CCN(C)C(=O)NCc1cccc(OCC[N@H+](C)C2CCOCC2)c1 ZINC000297538336 553305989 /nfs/dbraw/zinc/30/59/89/553305989.db2.gz DVTXPNPWPBFVMP-UHFFFAOYSA-N 1 0 373.497 2.341 20 30 FEEDRO C=CCN(CC=C)C(=O)[C@H](C)[NH2+]C[C@@H](c1cccs1)N1CCOCC1 ZINC000298066228 553379530 /nfs/dbraw/zinc/37/95/30/553379530.db2.gz FINFYKVSHTXBSU-IRXDYDNUSA-N 1 0 363.527 2.300 20 30 FEEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000298200723 553397445 /nfs/dbraw/zinc/39/74/45/553397445.db2.gz GERDQXCXWFSRPL-IBGZPJMESA-N 1 0 370.497 2.097 20 30 FEEDRO COCC[N@H+](CCO)CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 ZINC000298296261 553409533 /nfs/dbraw/zinc/40/95/33/553409533.db2.gz XXQDUVPPOAVWAU-ZDUSSCGKSA-N 1 0 365.499 2.014 20 30 FEEDRO CC[N@H+](CCOCCO)CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000503433703 561641324 /nfs/dbraw/zinc/64/13/24/561641324.db2.gz CJPCHFUJIKRHQT-UHFFFAOYSA-N 1 0 365.499 2.158 20 30 FEEDRO C=CCN(Cc1ccccc1)C(=O)C(=O)N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000298313104 553411430 /nfs/dbraw/zinc/41/14/30/553411430.db2.gz PACSMSYCWPAUEM-LJQANCHMSA-N 1 0 357.498 2.392 20 30 FEEDRO N#Cc1c2c(sc1NC(=O)CC[NH2+][C@@H]1CCC(=O)NC13CCC3)CCC2 ZINC000298533179 553436830 /nfs/dbraw/zinc/43/68/30/553436830.db2.gz MJRLBUHUMVOCGY-OAHLLOKOSA-N 1 0 372.494 2.228 20 30 FEEDRO N#Cc1c2c(sc1NC(=O)CC[NH2+][C@H]1CCC(=O)NC13CCC3)CCC2 ZINC000298533176 553437052 /nfs/dbraw/zinc/43/70/52/553437052.db2.gz MJRLBUHUMVOCGY-HNNXBMFYSA-N 1 0 372.494 2.228 20 30 FEEDRO N#CCCCOc1cccc(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000298980940 553498697 /nfs/dbraw/zinc/49/86/97/553498697.db2.gz MFTAXPGXNNZIPK-ROUUACIJSA-N 1 0 370.453 2.051 20 30 FEEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000299071411 553511453 /nfs/dbraw/zinc/51/14/53/553511453.db2.gz CEFHFSPTQSCPAM-WBVHZDCISA-N 1 0 370.453 2.027 20 30 FEEDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CCC(C)(C#N)CC2)[C@H](C)C1 ZINC000503898821 561649697 /nfs/dbraw/zinc/64/96/97/561649697.db2.gz BWUITSJPXGMWAL-SJORKVTESA-N 1 0 350.507 2.459 20 30 FEEDRO CC(C)[NH+](CCN(C)C(=O)C(=O)N1CCc2ccc(C#N)cc21)C(C)C ZINC000505336144 561669746 /nfs/dbraw/zinc/66/97/46/561669746.db2.gz TVTNFNHSGJSAEN-UHFFFAOYSA-N 1 0 356.470 2.025 20 30 FEEDRO Cc1cc(C(=O)N2CC[NH+](CC(C)C)CC2)nn1-c1cccc(C#N)c1 ZINC000505457470 561671338 /nfs/dbraw/zinc/67/13/38/561671338.db2.gz LICCYQJOVITSNQ-UHFFFAOYSA-N 1 0 351.454 2.466 20 30 FEEDRO CCCC[N@H+](CCC(=O)Nc1sccc1C#N)[C@@H]1CCS(=O)(=O)C1 ZINC000302813920 553734442 /nfs/dbraw/zinc/73/44/42/553734442.db2.gz LUCARZALRNQMEC-CQSZACIVSA-N 1 0 369.512 2.238 20 30 FEEDRO CC[C@@H](C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)[NH+](CC)CC ZINC000505668015 561676866 /nfs/dbraw/zinc/67/68/66/561676866.db2.gz COTRCIOJHUTRKO-ROUUACIJSA-N 1 0 356.470 2.290 20 30 FEEDRO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CCC[C@@H]2[C@H]2CCCC[C@H]2O)c1 ZINC000328473154 553794292 /nfs/dbraw/zinc/79/42/92/553794292.db2.gz DSWYAOJZHBNVJD-GUDVDZBRSA-N 1 0 362.495 2.347 20 30 FEEDRO CCn1nc(C)c(NC(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)c1C ZINC000328599584 553794884 /nfs/dbraw/zinc/79/48/84/553794884.db2.gz CFDGHORYLQNYHT-UHFFFAOYSA-N 1 0 362.522 2.404 20 30 FEEDRO COCC[N@@H+]1CC[C@H](NC(=O)N2CC[C@H](Oc3ccccc3Cl)C2)C1 ZINC000328650877 553802495 /nfs/dbraw/zinc/80/24/95/553802495.db2.gz BFLGLXRGMGADDO-GJZGRUSLSA-N 1 0 367.877 2.428 20 30 FEEDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1CCOC2(CCOCC2)C1 ZINC000328706585 553810255 /nfs/dbraw/zinc/81/02/55/553810255.db2.gz LNJVIWCEZNXPQZ-IAGOWNOFSA-N 1 0 353.507 2.339 20 30 FEEDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000328727279 553813178 /nfs/dbraw/zinc/81/31/78/553813178.db2.gz VBHPTBNQHXZQPE-ZWKOTPCHSA-N 1 0 364.534 2.355 20 30 FEEDRO C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@@H+]1CCC[C@H]1[C@@H]1C[C@H](C)CC[C@@H]1O ZINC000328752695 553816483 /nfs/dbraw/zinc/81/64/83/553816483.db2.gz RYTSJBZYEPRKTK-SSGTUYFUSA-N 1 0 365.518 2.214 20 30 FEEDRO CC[NH+]1CCC(NC(=O)[C@@H]2CCN(c3ccc4c(c3)OCCO4)C2=O)CC1 ZINC000328864790 553835313 /nfs/dbraw/zinc/83/53/13/553835313.db2.gz ZLYHBYZSFGTMQE-INIZCTEOSA-N 1 0 373.453 2.252 20 30 FEEDRO C[NH+](C)[C@]1(CNC(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)CCSC1 ZINC000328870568 553836387 /nfs/dbraw/zinc/83/63/87/553836387.db2.gz YBPORNNNGXLBFW-HWMZRRJGSA-N 1 0 353.532 2.275 20 30 FEEDRO C[C@H](NC(=O)C1CCCCC1)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000328949269 553851513 /nfs/dbraw/zinc/85/15/13/553851513.db2.gz WMJVZDAPTDWSFM-INIZCTEOSA-N 1 0 365.518 2.483 20 30 FEEDRO C[C@H](CNC(=O)N1CCC[C@@H]1[C@@H]1CCCC[C@]1(C)O)CN1CCOCC1 ZINC000328977993 553857303 /nfs/dbraw/zinc/85/73/03/553857303.db2.gz DNAHSGYVAZIZTN-RMJJICAUSA-N 1 0 367.534 2.274 20 30 FEEDRO C[N@@H+](CC(=O)NC(=O)Nc1ccc2c(c1)OCCO2)CC1CCOCC1 ZINC000328976517 553857393 /nfs/dbraw/zinc/85/73/93/553857393.db2.gz DBDLQKDEOZULHR-UHFFFAOYSA-N 1 0 363.414 2.318 20 30 FEEDRO C[NH+]1CCC2(CCCN2C(=O)NCc2ccc(Cn3cncn3)cc2)CC1 ZINC000329072124 553874956 /nfs/dbraw/zinc/87/49/56/553874956.db2.gz OAPKHDUEKGBFJR-UHFFFAOYSA-N 1 0 368.485 2.301 20 30 FEEDRO C[C@@H]1CCC[N@H+](CCNC(=O)N[C@@H]2CC(=O)N(C3CCCCC3)C2)C1 ZINC000329091385 553879209 /nfs/dbraw/zinc/87/92/09/553879209.db2.gz ADSUOCQJUBFXBA-HZPDHXFCSA-N 1 0 350.507 2.156 20 30 FEEDRO CC(C)N1C(=O)N[C@@H]2CN(C(=O)N[C@H](C)C[N@@H+]3CCC[C@@H](C)C3)CC[C@@H]21 ZINC000329148746 553889856 /nfs/dbraw/zinc/88/98/56/553889856.db2.gz YMYDOFREKVKKRV-VQHPVUNQSA-N 1 0 365.522 2.102 20 30 FEEDRO COCC1(C)CCN(C(=O)NCC2([NH+]3CCCC3)CCOCC2)CC1 ZINC000329167617 553894135 /nfs/dbraw/zinc/89/41/35/553894135.db2.gz IOMFVNRWRALUAO-UHFFFAOYSA-N 1 0 353.507 2.294 20 30 FEEDRO CC(C)[NH2+]C1CCN(C(=O)N[C@@H]2CC(=O)N(C3CCCCC3)C2)CC1 ZINC000329169162 553894138 /nfs/dbraw/zinc/89/41/38/553894138.db2.gz JKRFNOQYPWPCRH-MRXNPFEDSA-N 1 0 350.507 2.296 20 30 FEEDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1cnn(C)c1C ZINC000329219167 553905000 /nfs/dbraw/zinc/90/50/00/553905000.db2.gz SHCQFLFVRGGMSW-DAYGRLMNSA-N 1 0 361.490 2.079 20 30 FEEDRO CC[C@@H]1C[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)CC(=O)N1 ZINC000329222670 553905342 /nfs/dbraw/zinc/90/53/42/553905342.db2.gz WUJXNYFHZORDPA-BLNMRFBMSA-N 1 0 364.490 2.172 20 30 FEEDRO C[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)c1ncccc1F ZINC000329222835 553905920 /nfs/dbraw/zinc/90/59/20/553905920.db2.gz XAJAEBLUFAHKLD-FFHGMXDLSA-N 1 0 362.449 2.364 20 30 FEEDRO COc1cnc(NC(=O)N2CCN(C3CC[NH+](C(C)C)CC3)CC2)s1 ZINC000329242418 553909170 /nfs/dbraw/zinc/90/91/70/553909170.db2.gz OHDIVMMPMURJAW-UHFFFAOYSA-N 1 0 367.519 2.188 20 30 FEEDRO C[NH+](C)C1(CNC(=O)N2CCC[C@@H]2[C@@H]2COCC[C@@H]2O)CCCCCC1 ZINC000329242872 553909335 /nfs/dbraw/zinc/90/93/35/553909335.db2.gz SNIQEXKCYUNERI-KSZLIROESA-N 1 0 367.534 2.417 20 30 FEEDRO C[NH+](C)C1(CNC(=O)N[C@H]2CCCN(C(=O)N3CCCC3)C2)CCCC1 ZINC000329246424 553910067 /nfs/dbraw/zinc/91/00/67/553910067.db2.gz VSDPMTBZOJZPMA-INIZCTEOSA-N 1 0 365.522 2.045 20 30 FEEDRO CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@H](n3ncc4ccccc43)C2)C1 ZINC000329261866 553913053 /nfs/dbraw/zinc/91/30/53/553913053.db2.gz BBGWOKMEHROVRU-MSOLQXFVSA-N 1 0 369.469 2.251 20 30 FEEDRO COc1ccc2c(c1)OC[C@H](NC(=O)N1C[C@H]([NH+]3CCCC3)C[C@@H]1C)C2 ZINC000329316338 553924157 /nfs/dbraw/zinc/92/41/57/553924157.db2.gz CWVFHVARRSKDSP-USXIJHARSA-N 1 0 359.470 2.471 20 30 FEEDRO Cn1nccc1[C@H]1[C@H](NC(=O)CC[C@@H]2CCCC[N@@H+]2C)CCC(=O)N1C ZINC000329324619 553925200 /nfs/dbraw/zinc/92/52/00/553925200.db2.gz VQYXCLRRRFMAOA-QMTMVMCOSA-N 1 0 361.490 2.303 20 30 FEEDRO C[C@@H]1CC(CNC(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C[C@@H](C)O1 ZINC000329323964 553925273 /nfs/dbraw/zinc/92/52/73/553925273.db2.gz HUZYBRBNQVOQPA-DTDBQYNISA-N 1 0 353.507 2.071 20 30 FEEDRO C[C@H]1C[C@@H](C(=O)NC[C@H]2CCCN(c3nccn4cnnc34)C2)CC[N@@H+]1C ZINC000329442652 553947980 /nfs/dbraw/zinc/94/79/80/553947980.db2.gz AQHDYVZBRYSJOI-XHSDSOJGSA-N 1 0 371.489 2.028 20 30 FEEDRO Cn1ccnc1[C@H](NC(=O)N1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1F ZINC000329503052 553958881 /nfs/dbraw/zinc/95/88/81/553958881.db2.gz YYQCZJXCPLUQIJ-WMLDXEAASA-N 1 0 357.433 2.343 20 30 FEEDRO CC(C)(C)N1C[C@H](C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)CC1=O ZINC000329566374 553968559 /nfs/dbraw/zinc/96/85/59/553968559.db2.gz HMSLPEMKLAWPCQ-HUUCEWRRSA-N 1 0 351.491 2.091 20 30 FEEDRO CC(C)(C)N1C[C@H](C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CC1=O ZINC000329566376 553968909 /nfs/dbraw/zinc/96/89/09/553968909.db2.gz HMSLPEMKLAWPCQ-LSDHHAIUSA-N 1 0 351.491 2.091 20 30 FEEDRO CC(C)(C)n1cnc(NC(=O)NCC2([NH+]3CCSCC3)CCCC2)n1 ZINC000329573914 553970095 /nfs/dbraw/zinc/97/00/95/553970095.db2.gz RNHIQDWLRIWQPC-UHFFFAOYSA-N 1 0 366.535 2.721 20 30 FEEDRO Cc1ccc(N2CCC[C@H](NC(=O)NC[C@H]3CCC[N@@H+](C(C)C)C3)C2)nn1 ZINC000329578019 553970768 /nfs/dbraw/zinc/97/07/68/553970768.db2.gz KLWAXJQBRSPIBC-MSOLQXFVSA-N 1 0 374.533 2.378 20 30 FEEDRO O=C(NCC1([NH+]2CCSCC2)CCCCC1)N1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000329577726 553970867 /nfs/dbraw/zinc/97/08/67/553970867.db2.gz SVPBHKRIVXOCDO-ULQDDVLXSA-N 1 0 367.559 2.355 20 30 FEEDRO CN1CCN(C(=O)CCNC(=O)N[C@H]2CCCCC23CCCC3)CC1 ZINC000329599355 553974603 /nfs/dbraw/zinc/97/46/03/553974603.db2.gz DLOBIWXVQUAHOO-INIZCTEOSA-N 1 0 350.507 2.157 20 30 FEEDRO C[NH+](C)C1(CNC(=O)N2CCS(=O)(=O)C(C)(C)C2)CCCCCC1 ZINC000329606510 553975313 /nfs/dbraw/zinc/97/53/13/553975313.db2.gz IAGRMKBGZVECOK-UHFFFAOYSA-N 1 0 359.536 2.064 20 30 FEEDRO [O-]C(=[NH+][C@@H]1CCc2nc[nH]c2C1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000329634364 553980360 /nfs/dbraw/zinc/98/03/60/553980360.db2.gz XCDVHCYNLLUYIH-FGTMMUONSA-N 1 0 365.481 2.245 20 30 FEEDRO CCS(=O)(=O)N1CCC[C@@H](C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC000329636392 553980495 /nfs/dbraw/zinc/98/04/95/553980495.db2.gz VCGIUNXQVALYKQ-WZYMTQMTSA-N 1 0 357.520 2.020 20 30 FEEDRO C[C@@H]1C[C@H](CCNC(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CCO1 ZINC000329685363 553988546 /nfs/dbraw/zinc/98/85/46/553988546.db2.gz ZXNHEDHDBUDAHP-JOCBIADPSA-N 1 0 353.507 2.073 20 30 FEEDRO CN1CC[C@H]([NH2+]CC(=O)NC(=O)NC2CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000329797501 554007297 /nfs/dbraw/zinc/00/72/97/554007297.db2.gz XFHGORPVYXGGQV-GOEBONIOSA-N 1 0 352.385 2.333 20 30 FEEDRO CC[C@H](CNC(=O)N1CCCN(CC)C(=O)C1)[N@@H+]1CCc2ccccc2C1 ZINC000329829290 554014355 /nfs/dbraw/zinc/01/43/55/554014355.db2.gz DPQPLEJOLSWYFL-LJQANCHMSA-N 1 0 372.513 2.292 20 30 FEEDRO O=C(N[C@H]1CCCS(=O)(=O)C1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000329864491 554021382 /nfs/dbraw/zinc/02/13/82/554021382.db2.gz ZRZHEFUEJIZRKJ-SJORKVTESA-N 1 0 371.547 2.066 20 30 FEEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N2CCO[C@@]3(CCOC3)C2)C1 ZINC000329865355 554021595 /nfs/dbraw/zinc/02/15/95/554021595.db2.gz AEVLXJISLQDNDN-KPFFTGBYSA-N 1 0 359.470 2.227 20 30 FEEDRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1ccc2nc(C(F)(F)F)cn2c1 ZINC000329940529 554035957 /nfs/dbraw/zinc/03/59/57/554035957.db2.gz UOXILCSAPLEASP-LBPRGKRZSA-N 1 0 369.391 2.294 20 30 FEEDRO CC(C)C[C@]1(CO)CCCN1C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000329946314 554036947 /nfs/dbraw/zinc/03/69/47/554036947.db2.gz XUEABYMFUTVTNW-GGPKGHCWSA-N 1 0 367.534 2.151 20 30 FEEDRO CC(=O)N1CCC[C@H](CNC(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)C1 ZINC000329996175 554046293 /nfs/dbraw/zinc/04/62/93/554046293.db2.gz OKUDLOMMTWAAPI-QZTJIDSGSA-N 1 0 350.507 2.109 20 30 FEEDRO C[C@H](NC(=O)C1CCCCC1)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000330036652 554053171 /nfs/dbraw/zinc/05/31/71/554053171.db2.gz YJTGGLYNZSDZEE-HNNXBMFYSA-N 1 0 351.491 2.235 20 30 FEEDRO CCC[NH+]1CCC(NC(=O)NC2CCN(c3cc(CC)ncn3)CC2)CC1 ZINC000330078455 554060497 /nfs/dbraw/zinc/06/04/97/554060497.db2.gz NRTXXTSXJWQFLU-UHFFFAOYSA-N 1 0 374.533 2.386 20 30 FEEDRO CC(C)C[C@@H]1OCCC[C@@H]1NC(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000330081390 554061177 /nfs/dbraw/zinc/06/11/77/554061177.db2.gz GSXNTTOCRZRQMI-RDGPPVDQSA-N 1 0 367.534 2.462 20 30 FEEDRO CC(C)(CC[NH+]1CCCCCC1)NC(=O)N[C@@H]1CCCS(=O)(=O)C1 ZINC000330092716 554063328 /nfs/dbraw/zinc/06/33/28/554063328.db2.gz ZBIJMMHLYHNVLH-OAHLLOKOSA-N 1 0 359.536 2.112 20 30 FEEDRO C[C@@H]1CN(CC(=O)NCCOc2ccc(F)cc2)C[C@]2(CCCOC2)O1 ZINC000330128697 554070322 /nfs/dbraw/zinc/07/03/22/554070322.db2.gz NVSUEPXFEVYEOH-BEFAXECRSA-N 1 0 366.433 2.431 20 30 FEEDRO O=C(CN1CC[N@@H+]2CCCC[C@H]2C1)NCc1cnn(-c2ccccc2)c1 ZINC000330165204 554076861 /nfs/dbraw/zinc/07/68/61/554076861.db2.gz WSIKBUADVFHQEB-IBGZPJMESA-N 1 0 353.470 2.499 20 30 FEEDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)[C@H](C)S(=O)(=O)C2CCOCC2)C1 ZINC000330171891 554077824 /nfs/dbraw/zinc/07/78/24/554077824.db2.gz XQLMPHIRYMEULG-LSDHHAIUSA-N 1 0 360.520 2.046 20 30 FEEDRO CC1(C)CN(C(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)CCO1 ZINC000330218502 554087390 /nfs/dbraw/zinc/08/73/90/554087390.db2.gz OSNDWKZTGIHQSF-UHFFFAOYSA-N 1 0 361.486 2.168 20 30 FEEDRO CCO[C@@H]1C[C@H](NC(=O)N2CC[N@@H+](C3CCOCC3)C[C@H]2C)C12CCC2 ZINC000330269632 554096672 /nfs/dbraw/zinc/09/66/72/554096672.db2.gz SDMIDUKPBCNWJI-BPQIPLTHSA-N 1 0 365.518 2.433 20 30 FEEDRO O=C(NC1CCN(c2cccnn2)CC1)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000330279574 554098521 /nfs/dbraw/zinc/09/85/21/554098521.db2.gz RGRBLAJRLMCHGE-QGZVFWFLSA-N 1 0 359.474 2.045 20 30 FEEDRO Cc1nsc(N2CCN(C(=O)CC[N@H+]3CCCC[C@@H]3C)CC2)c1C#N ZINC000330315479 554104203 /nfs/dbraw/zinc/10/42/03/554104203.db2.gz PQUYFLNKLAEVKB-AWEZNQCLSA-N 1 0 361.515 2.236 20 30 FEEDRO C[NH+](C)[C@@]1(CNC(=O)Nc2cc3c(cc2F)NC(=O)CC3)CCSC1 ZINC000330330554 554106388 /nfs/dbraw/zinc/10/63/88/554106388.db2.gz NLCQZGNMDWKNOR-QGZVFWFLSA-N 1 0 366.462 2.474 20 30 FEEDRO C[C@@H]1[C@H](C)[S@@](=O)CCN1C(=O)NCc1ccc(C[NH+](C)C)c(F)c1 ZINC000330509033 554131559 /nfs/dbraw/zinc/13/15/59/554131559.db2.gz CKQRHDMXGSRFNL-VXMWWYGOSA-N 1 0 355.479 2.143 20 30 FEEDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)Nc1ccccc1CS(C)(=O)=O ZINC000330725456 554163561 /nfs/dbraw/zinc/16/35/61/554163561.db2.gz ZPKYJFSQVJDTJX-AWEZNQCLSA-N 1 0 367.515 2.439 20 30 FEEDRO CS[C@@H]1CN(C(=O)Nc2cc(NC(C)=O)ccc2F)C[C@H]1[NH+](C)C ZINC000330725896 554163641 /nfs/dbraw/zinc/16/36/41/554163641.db2.gz ZTQLTGGMCTXSQH-HUUCEWRRSA-N 1 0 354.451 2.307 20 30 FEEDRO COc1cc(CNC(=O)N2CC[N@H+](C)C[C@H]2C(C)C)cc(OC)c1OC ZINC000330831704 554176840 /nfs/dbraw/zinc/17/68/40/554176840.db2.gz HDTMGUVZHBOJSK-HNNXBMFYSA-N 1 0 365.474 2.398 20 30 FEEDRO CC(C)CNC(=O)N1CCC[C@H](C(=O)N2CCC(C[NH+](C)C)CC2)C1 ZINC000330916685 554188188 /nfs/dbraw/zinc/18/81/88/554188188.db2.gz VKZADWLBYPTVND-KRWDZBQOSA-N 1 0 352.523 2.069 20 30 FEEDRO CC(C)NC(=O)NC1(C(=O)NCC[NH+]2CCC(C)CC2)CCCCC1 ZINC000330981613 554196889 /nfs/dbraw/zinc/19/68/89/554196889.db2.gz NZOILZORPDHPOB-UHFFFAOYSA-N 1 0 352.523 2.449 20 30 FEEDRO C=CCn1c(C2CC2)nnc1N1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000508717562 561770453 /nfs/dbraw/zinc/77/04/53/561770453.db2.gz TYQSAPICLOPSGY-UHFFFAOYSA-N 1 0 358.534 2.336 20 30 FEEDRO C[C@H](NC(=O)N[C@H]1CCCO[C@@H]1c1cnn(C)c1)C(C)(C)C[NH+](C)C ZINC000331209178 554231708 /nfs/dbraw/zinc/23/17/08/554231708.db2.gz GOQOHAHXMGOUDR-CWRNSKLLSA-N 1 0 351.495 2.120 20 30 FEEDRO COC[C@H](NC(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C)c1ccc(F)cc1 ZINC000331223544 554232998 /nfs/dbraw/zinc/23/29/98/554232998.db2.gz LTALWSYGJUFZTA-YOEHRIQHSA-N 1 0 367.465 2.204 20 30 FEEDRO C=CCn1c(-c2ccc[nH]2)nnc1N1CC[N@H+](CCOC)[C@@H](CCC)C1 ZINC000508746057 561771488 /nfs/dbraw/zinc/77/14/88/561771488.db2.gz JEFUKACBMKUVEB-INIZCTEOSA-N 1 0 358.490 2.396 20 30 FEEDRO CC1=CCCN(C(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)C1 ZINC000331250950 554236424 /nfs/dbraw/zinc/23/64/24/554236424.db2.gz OTSJRILSKDEHAJ-UHFFFAOYSA-N 1 0 350.507 2.179 20 30 FEEDRO C=CCn1c(-c2cnn(C)c2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC000508997140 561780679 /nfs/dbraw/zinc/78/06/79/561780679.db2.gz PUCLLFCLEPNXAN-UHFFFAOYSA-N 1 0 357.506 2.423 20 30 FEEDRO Cc1c(C#N)cccc1C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000509030009 561782102 /nfs/dbraw/zinc/78/21/02/561782102.db2.gz ABPNQUFDVZMRRJ-UHFFFAOYSA-N 1 0 362.477 2.414 20 30 FEEDRO CS[C@@H]1CN([C@@H](C)C(=O)Nc2cccc(C#N)c2)C[C@H]1[NH+]1CCCC1 ZINC000331526096 554280279 /nfs/dbraw/zinc/28/02/79/554280279.db2.gz FWSMGJAUKGHDHR-BMGDILEWSA-N 1 0 358.511 2.397 20 30 FEEDRO C[C@@H](CC#N)N(C)S(=O)(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000509221234 561790903 /nfs/dbraw/zinc/79/09/03/561790903.db2.gz XQVSIWYNUULIIK-INIZCTEOSA-N 1 0 356.536 2.053 20 30 FEEDRO N#Cc1nccnc1NCCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000608830881 554323083 /nfs/dbraw/zinc/32/30/83/554323083.db2.gz BOKOGZIEOYHPFF-UHFFFAOYSA-N 1 0 350.470 2.358 20 30 FEEDRO C[C@H]1CC[N@H+](CCNS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)C1 ZINC000530960692 562430163 /nfs/dbraw/zinc/43/01/63/562430163.db2.gz OZXCWZMSVDSXIB-NSHDSACASA-N 1 0 361.389 2.197 20 30 FEEDRO CC(C)[NH+]1CCC(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000509724178 561811775 /nfs/dbraw/zinc/81/17/75/561811775.db2.gz JSWRPKGFSUHYIC-LJQANCHMSA-N 1 0 368.481 2.290 20 30 FEEDRO CC[NH+]1CCN([C@H]2CCN(C(=O)C[C@H](CC#N)c3ccccc3)C2)CC1 ZINC000332328891 554426030 /nfs/dbraw/zinc/42/60/30/554426030.db2.gz UATBYEBDQYBPJI-PMACEKPBSA-N 1 0 354.498 2.312 20 30 FEEDRO CC(C)[C@H]1CCc2c(C#N)c(NC(=O)C(=O)N3CC[NH2+][C@@H](C)C3)sc2C1 ZINC000332333355 554427279 /nfs/dbraw/zinc/42/72/79/554427279.db2.gz LTJOBIFOSPMUGN-STQMWFEESA-N 1 0 374.510 2.139 20 30 FEEDRO C[NH+](C)C[C@H](NC(=O)C(=O)Nc1ccc(C#N)cc1F)c1ccc(F)cc1 ZINC000510016502 561822155 /nfs/dbraw/zinc/82/21/55/561822155.db2.gz HCJDRQPOIMTWSF-KRWDZBQOSA-N 1 0 372.375 2.194 20 30 FEEDRO Cn1ccnc1[C@H](NS(=O)(=O)c1cccc(Cl)c1C#N)C1CC1 ZINC000510461049 561835194 /nfs/dbraw/zinc/83/51/94/561835194.db2.gz OJXCIWSIEFAGTI-CQSZACIVSA-N 1 0 350.831 2.375 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H]2CCOC3(CCSCC3)C2)CC1 ZINC000333439760 554613335 /nfs/dbraw/zinc/61/33/35/554613335.db2.gz LQNVPULMEOJPGD-MRXNPFEDSA-N 1 0 353.532 2.381 20 30 FEEDRO N#Cc1ccc(OC2CCC(NC(=O)N3CC[C@H]4[NH2+]CC[C@H]4C3)CC2)nc1 ZINC000333704739 554635111 /nfs/dbraw/zinc/63/51/11/554635111.db2.gz DVMCDFRUCICRPH-FCCDEINASA-N 1 0 369.469 2.037 20 30 FEEDRO C=C[C@@H](CC(=O)N1CC[NH+]([C@@H]2CCNC(=O)CC2)CC1)c1ccccc1 ZINC000333743693 554638235 /nfs/dbraw/zinc/63/82/35/554638235.db2.gz LZOJGJMXTAPFTA-HKUYNNGSSA-N 1 0 355.482 2.159 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c(Cl)c1 ZINC000333855418 554649676 /nfs/dbraw/zinc/64/96/76/554649676.db2.gz OMEJGDUUWQWQMQ-DZGCQCFKSA-N 1 0 353.875 2.364 20 30 FEEDRO N#Cc1c(F)cccc1-n1ccc(NC(=O)N[C@H]2CC[N@H+](CC3CC3)C2)n1 ZINC000611600882 554652630 /nfs/dbraw/zinc/65/26/30/554652630.db2.gz ATRAAFHXXWTCPY-AWEZNQCLSA-N 1 0 368.416 2.489 20 30 FEEDRO CN(C(=O)C[N@@H+]1CCC[C@@H](N2CCCC2=O)CC1)C1(C#N)CCCCC1 ZINC000334027739 554670248 /nfs/dbraw/zinc/67/02/48/554670248.db2.gz IMVJLVYMTVUOOJ-QGZVFWFLSA-N 1 0 360.502 2.148 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N[C@H]2CCC[C@H](C(=O)NC(C)C)C2)CC1 ZINC000334036331 554671353 /nfs/dbraw/zinc/67/13/53/554671353.db2.gz LZZKPTVTOQKCKX-RDJZCZTQSA-N 1 0 350.507 2.019 20 30 FEEDRO Cc1nccc(NCc2cccc(C(=O)NC3CCN(CC#N)CC3)c2)n1 ZINC000612539571 554801904 /nfs/dbraw/zinc/80/19/04/554801904.db2.gz ONDVJARKFAOCGQ-UHFFFAOYSA-N 1 0 364.453 2.115 20 30 FEEDRO C#CCOc1cc(F)ccc1NC1CC[NH+](CCN2CCOCC2)CC1 ZINC000360015117 554859256 /nfs/dbraw/zinc/85/92/56/554859256.db2.gz KMYCMRZXPKEFFF-UHFFFAOYSA-N 1 0 361.461 2.046 20 30 FEEDRO N#Cc1ccsc1NC(=O)CC[NH+]1CCC(NC(=O)c2ccc[nH]2)CC1 ZINC000360178271 554866319 /nfs/dbraw/zinc/86/63/19/554866319.db2.gz HZTOIQUSTGRZTP-UHFFFAOYSA-N 1 0 371.466 2.171 20 30 FEEDRO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3CC[C@@]4(CC[C@@H](C)C4)C3)CC2)o1 ZINC000360682889 554885129 /nfs/dbraw/zinc/88/51/29/554885129.db2.gz WSJYFKPWUZVCGP-FOIQADDNSA-N 1 0 371.485 2.015 20 30 FEEDRO Cn1cc([C@H](O)C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)cn1 ZINC000360990115 554899017 /nfs/dbraw/zinc/89/90/17/554899017.db2.gz OLBRGKHSRGRWIU-GOSISDBHSA-N 1 0 350.426 2.020 20 30 FEEDRO N#Cc1cccc(OCCCN2CC[NH+](C3(C(N)=O)CCCCC3)CC2)c1 ZINC000361300748 554915825 /nfs/dbraw/zinc/91/58/25/554915825.db2.gz XCFDUQQDVBHRTO-UHFFFAOYSA-N 1 0 370.497 2.133 20 30 FEEDRO C[N@@H+]1CCCC12CCN(C(=O)c1ccc(-n3ncc(C#N)c3N)cc1)CC2 ZINC000361906531 554937563 /nfs/dbraw/zinc/93/75/63/554937563.db2.gz IBBBZWQHZOOHAD-UHFFFAOYSA-N 1 0 364.453 2.027 20 30 FEEDRO C[NH+](C)C[C@H]1CN(CC(=O)Nc2sccc2C#N)c2ccccc2O1 ZINC000362163389 554953818 /nfs/dbraw/zinc/95/38/18/554953818.db2.gz SIXVKUAQJQWEPT-AWEZNQCLSA-N 1 0 356.451 2.387 20 30 FEEDRO N#Cc1ccc(OC2CCN(C(=O)CCCCN3CCOCC3)CC2)cc1 ZINC000362959150 555002983 /nfs/dbraw/zinc/00/29/83/555002983.db2.gz ZKDUTEQPPDPQFH-UHFFFAOYSA-N 1 0 371.481 2.431 20 30 FEEDRO N#Cc1ccc(NC(=O)CN2CCC[C@@H](C(=O)Nc3nccs3)C2)cc1 ZINC000363157822 555042673 /nfs/dbraw/zinc/04/26/73/555042673.db2.gz OBLGNEIRUOMHBD-CQSZACIVSA-N 1 0 369.450 2.304 20 30 FEEDRO Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)NCCC[NH+]3CCCCC3)C2)n1 ZINC000363170933 555044717 /nfs/dbraw/zinc/04/47/17/555044717.db2.gz PSZQGCAAHIDWIZ-LJQANCHMSA-N 1 0 369.513 2.470 20 30 FEEDRO Cc1cc(NC(=O)C2CC[NH+](CCOc3ccccc3C#N)CC2)no1 ZINC000363205708 555053683 /nfs/dbraw/zinc/05/36/83/555053683.db2.gz WIRQBBLZSVAYNT-UHFFFAOYSA-N 1 0 354.410 2.584 20 30 FEEDRO C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCCN(C(=O)C(C)(C)C)CC1 ZINC000363229123 555059157 /nfs/dbraw/zinc/05/91/57/555059157.db2.gz ALRZBDHTAPDETP-OAHLLOKOSA-N 1 0 356.470 2.466 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N2CCC[C@H]2c2nncn2CC(C)C)CC1 ZINC000363249621 555063471 /nfs/dbraw/zinc/06/34/71/555063471.db2.gz AAHSZNGJXRABDB-KRWDZBQOSA-N 1 0 360.506 2.431 20 30 FEEDRO N#Cc1c(Cl)cccc1S(=O)(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000363260106 555066335 /nfs/dbraw/zinc/06/63/35/555066335.db2.gz STZLHQJOQBKDDM-BJJXKVORSA-N 1 0 365.886 2.316 20 30 FEEDRO Cn1cccc1C(=O)NC1CC[NH+](CCOc2cccc(C#N)c2)CC1 ZINC000363452181 555109034 /nfs/dbraw/zinc/10/90/34/555109034.db2.gz BWBOCSMHUYWBBP-UHFFFAOYSA-N 1 0 352.438 2.170 20 30 FEEDRO N#CC1(NC(=O)C[N@@H+]2CCC[C@@H](C(=O)N3CCCCCC3)C2)CCCCC1 ZINC000363468473 555113445 /nfs/dbraw/zinc/11/34/45/555113445.db2.gz RRUKZIMVJOLEEY-GOSISDBHSA-N 1 0 374.529 2.444 20 30 FEEDRO N#CCCN(C(=O)CN1CCC[C@H](N2CCCCC2=O)C1)c1ccccc1 ZINC000363501077 555121544 /nfs/dbraw/zinc/12/15/44/555121544.db2.gz UENVILHMLRYORD-IBGZPJMESA-N 1 0 368.481 2.410 20 30 FEEDRO C=CCN(C(=O)NCC(C)(C)C(=O)NC)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000363808150 555190384 /nfs/dbraw/zinc/19/03/84/555190384.db2.gz AJORQLHHOLERAB-SFHVURJKSA-N 1 0 372.513 2.231 20 30 FEEDRO N#Cc1cccc(NC(=O)CN2CCC[C@H](Cc3nnc4ccccn43)C2)c1 ZINC000363824575 555193930 /nfs/dbraw/zinc/19/39/30/555193930.db2.gz QXFCECUQZWHMHB-QGZVFWFLSA-N 1 0 374.448 2.494 20 30 FEEDRO C=C(C)C[N@@H+](Cc1ccc(CO)o1)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000512199799 561895940 /nfs/dbraw/zinc/89/59/40/561895940.db2.gz DMARUXBTEOPREK-QGZVFWFLSA-N 1 0 356.422 2.462 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC(C)(c3nc(C)no3)CC2)CC1 ZINC000364694685 555376902 /nfs/dbraw/zinc/37/69/02/555376902.db2.gz HAACFLKGRVRZJJ-UHFFFAOYSA-N 1 0 361.490 2.482 20 30 FEEDRO C=C[C@@](C)(CCOC)C(=O)N1CCC(CC[NH+]2CCN(C)CC2)CC1 ZINC000364857261 555417011 /nfs/dbraw/zinc/41/70/11/555417011.db2.gz XGFJHYQTJQKRHF-FQEVSTJZSA-N 1 0 351.535 2.091 20 30 FEEDRO CCN(CCC#N)C(=O)C[NH2+][C@@H]1CCN(Cc2cnc(C)s2)C[C@H]1C ZINC000364898748 555429926 /nfs/dbraw/zinc/42/99/26/555429926.db2.gz WNJKMTRCFIRMQG-RHSMWYFYSA-N 1 0 363.531 2.014 20 30 FEEDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)N[C@H]3CCCN(c4ccccc4C#N)C3)[C@H]2C1 ZINC000364990311 555458320 /nfs/dbraw/zinc/45/83/20/555458320.db2.gz WLBRYUXFCPDENO-KPFFTGBYSA-N 1 0 367.497 2.263 20 30 FEEDRO N#Cc1cccc(CN2C(=O)CC[C@@H]2C(=O)NCCC[NH+]2CCCCC2)c1 ZINC000365025398 555467404 /nfs/dbraw/zinc/46/74/04/555467404.db2.gz HDQLLAYGFRFBBO-LJQANCHMSA-N 1 0 368.481 2.041 20 30 FEEDRO CCCC[NH+]=C(NCc1nnc2n1CCOC2)NCc1ccc(C)cc1 ZINC000365054536 555474753 /nfs/dbraw/zinc/47/47/53/555474753.db2.gz SZEQZCAMFULEGM-UHFFFAOYSA-N 1 0 356.474 2.152 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N2CCC[C@@H](C(=O)Nc3ccccn3)C2)CC1 ZINC000365184598 555504737 /nfs/dbraw/zinc/50/47/37/555504737.db2.gz HKZFMAOCISQMNF-MRXNPFEDSA-N 1 0 371.485 2.092 20 30 FEEDRO C=CCc1cc(C[NH2+]C[C@@H]2CCCCN2S(C)(=O)=O)cc(OC)c1O ZINC000513006607 561922459 /nfs/dbraw/zinc/92/24/59/561922459.db2.gz AAENHOVMTQAEFH-INIZCTEOSA-N 1 0 368.499 2.033 20 30 FEEDRO C=CCc1cc(C[NH2+]C[C@@H](N2CCOCC2)C(F)(F)F)cc(OC)c1O ZINC000513016349 561922685 /nfs/dbraw/zinc/92/26/85/561922685.db2.gz HYPYMHUIFNGRMZ-MRXNPFEDSA-N 1 0 374.403 2.482 20 30 FEEDRO C=CCc1cc(C[NH2+]C[C@H](N2CCOCC2)C(F)(F)F)cc(OC)c1O ZINC000513016348 561922725 /nfs/dbraw/zinc/92/27/25/561922725.db2.gz HYPYMHUIFNGRMZ-INIZCTEOSA-N 1 0 374.403 2.482 20 30 FEEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000365545799 555605036 /nfs/dbraw/zinc/60/50/36/555605036.db2.gz KGCNJXGEEPVJAS-SNRMKQJTSA-N 1 0 368.481 2.151 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2C[C@H]3[C@H](C2)C[N@@H+]2CCCC[C@@H]32)cc1Cl ZINC000365548072 555605682 /nfs/dbraw/zinc/60/56/82/555605682.db2.gz CNTZKBBYALWGHY-QRTARXTBSA-N 1 0 365.886 2.316 20 30 FEEDRO Cc1oc(NC(=O)[C@H](C)[NH2+][C@@H]2CCCC[C@@H]2N2CCOCC2)c(C#N)c1C ZINC000365597954 555619235 /nfs/dbraw/zinc/61/92/35/555619235.db2.gz JJIBKGWLOXDMLY-QGTPRVQTSA-N 1 0 374.485 2.328 20 30 FEEDRO Cc1ccc(C#N)c(N2CCC[C@H](C(=O)NCC[N@H+]3CCC[C@@H](C)C3)C2)n1 ZINC000365751288 555659415 /nfs/dbraw/zinc/65/94/15/555659415.db2.gz JDYRDCGQVIXOKN-APWZRJJASA-N 1 0 369.513 2.326 20 30 FEEDRO Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N[C@H]3C[N@H+](C4CC4)C[C@H]3C)C2)n1 ZINC000366039773 555734177 /nfs/dbraw/zinc/73/41/77/555734177.db2.gz HIXBCTRIBOWFIS-LJHODMEESA-N 1 0 367.497 2.077 20 30 FEEDRO C=CCc1cc(C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)cc(OC)c1OC ZINC000366190375 555776042 /nfs/dbraw/zinc/77/60/42/555776042.db2.gz CNRRRKFKPFZNRG-SFHVURJKSA-N 1 0 374.481 2.415 20 30 FEEDRO C[C@H](NC(=O)[C@H](C)[NH+]1CCC(n2cnc(C#N)n2)CC1)c1ccc(F)cc1 ZINC000366392781 555831645 /nfs/dbraw/zinc/83/16/45/555831645.db2.gz PVXFBUWRKBLCRS-KBPBESRZSA-N 1 0 370.432 2.192 20 30 FEEDRO Clc1ccc(C#CCN2CCN(CC[N@@H+]3CCCOCC3)CC2)cc1 ZINC000366919460 555969741 /nfs/dbraw/zinc/96/97/41/555969741.db2.gz YVJQLYLWEGTMBR-UHFFFAOYSA-N 1 0 361.917 2.031 20 30 FEEDRO CN1C(=O)C[C@@H]([NH2+]Cc2cnc3ccc(C#N)cn23)[C@@H]1c1ccc(F)cc1 ZINC000366931083 555974409 /nfs/dbraw/zinc/97/44/09/555974409.db2.gz DCMBSWCVWVFQAB-XLIONFOSSA-N 1 0 363.396 2.407 20 30 FEEDRO CN(CCC#N)C(=O)CC[N@@H+]1CC[C@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC000367014636 555997227 /nfs/dbraw/zinc/99/72/27/555997227.db2.gz GLGAHYCYCYNTDK-IBGZPJMESA-N 1 0 364.490 2.224 20 30 FEEDRO COc1cc(C[NH+]2CCC(C(=O)Nc3cc(C)on3)CC2)ccc1C#N ZINC000367024195 556000350 /nfs/dbraw/zinc/00/03/50/556000350.db2.gz OWRRXFWNJVCZOW-UHFFFAOYSA-N 1 0 354.410 2.714 20 30 FEEDRO Cc1ccc(N(CCC#N)C(=O)C[NH2+][C@@H]2CCC(=O)N[C@H]2C2CC2)cc1C ZINC000367460037 556056444 /nfs/dbraw/zinc/05/64/44/556056444.db2.gz XVYMPVMJASOSDG-NQIIRXRSSA-N 1 0 368.481 2.197 20 30 FEEDRO Cc1ccc(N(CCC#N)C(=O)C[NH2+][C@@H]2CCC(=O)N[C@@H]2C2CC2)cc1C ZINC000367460039 556056567 /nfs/dbraw/zinc/05/65/67/556056567.db2.gz XVYMPVMJASOSDG-WIYYLYMNSA-N 1 0 368.481 2.197 20 30 FEEDRO N#Cc1ccc(CN2CCC([NH2+]C[C@@H](CO)c3cccnc3)CC2)cc1 ZINC000367560799 556083086 /nfs/dbraw/zinc/08/30/86/556083086.db2.gz AYSIPIRABNAOCH-FQEVSTJZSA-N 1 0 350.466 2.283 20 30 FEEDRO CN(CCC#N)C[C@H](O)C[NH2+]Cc1ccc(Oc2ccc(F)cc2)nc1 ZINC000514788889 561979705 /nfs/dbraw/zinc/97/97/05/561979705.db2.gz PXOLYKWJDXZANH-QGZVFWFLSA-N 1 0 358.417 2.309 20 30 FEEDRO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[NH2+]C1(C2CC2)CCOCC1 ZINC000367568162 556084980 /nfs/dbraw/zinc/08/49/80/556084980.db2.gz ZKYCJCNEFQUTFJ-UHFFFAOYSA-N 1 0 365.437 2.231 20 30 FEEDRO N#Cc1ccc(N2CCC([NH2+]CCNC(=O)c3ccccc3O)CC2)cc1 ZINC000367612145 556097030 /nfs/dbraw/zinc/09/70/30/556097030.db2.gz DAHJODDDXKUMPN-UHFFFAOYSA-N 1 0 364.449 2.252 20 30 FEEDRO Cc1cn2c(n1)CC[C@H](NC(=O)[C@H]1CCN(c3ccc(C#N)cc3F)C1)C2 ZINC000367721006 556122849 /nfs/dbraw/zinc/12/28/49/556122849.db2.gz NCEDXFIWYUAIEP-HOTGVXAUSA-N 1 0 367.428 2.160 20 30 FEEDRO N#CC1(NC(=O)c2cnn(CCF)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000367992872 556189784 /nfs/dbraw/zinc/18/97/84/556189784.db2.gz GMYMRESSORBYGV-UHFFFAOYSA-N 1 0 355.417 2.141 20 30 FEEDRO Cc1ccc(C(=O)N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)cc1C#N ZINC000368513255 556332489 /nfs/dbraw/zinc/33/24/89/556332489.db2.gz CAJJCOGQMSGMSS-UHFFFAOYSA-N 1 0 354.498 2.356 20 30 FEEDRO N#Cc1c(NC(=O)CC[N@H+]2CC[C@H](CC(N)=O)C2)sc2c1CCCC2 ZINC000368575089 556349851 /nfs/dbraw/zinc/34/98/51/556349851.db2.gz IFPQMJNDABDCPN-GFCCVEGCSA-N 1 0 360.483 2.024 20 30 FEEDRO N#CC[C@@H]1C[C@H]2[C@@H](CCC[C@H]2[NH2+]CCn2cc(Br)cn2)O1 ZINC000368602331 556359378 /nfs/dbraw/zinc/35/93/78/556359378.db2.gz JLTQOMXWVBHGCW-KBUPBQIOSA-N 1 0 353.264 2.475 20 30 FEEDRO CN(C[C@H]1CCC[N@@H+]1CC(=O)N(CCC#N)CCC#N)c1ccccc1 ZINC000368858595 556431045 /nfs/dbraw/zinc/43/10/45/556431045.db2.gz HZRUHLUFJPHGCK-LJQANCHMSA-N 1 0 353.470 2.243 20 30 FEEDRO C[C@]1(CNS(=O)(=O)c2ccc(C#N)o2)CCC[N@@H+]1Cc1ccccc1 ZINC000515624367 562017386 /nfs/dbraw/zinc/01/73/86/562017386.db2.gz DBSLWKMDBRLOTO-GOSISDBHSA-N 1 0 359.451 2.484 20 30 FEEDRO C[C@H]1C[N@@H+](C2CCN(C(=O)CSc3ccc(C#N)cc3)CC2)CCO1 ZINC000368960642 556460389 /nfs/dbraw/zinc/46/03/89/556460389.db2.gz PGKFLRAYMTWUSV-HNNXBMFYSA-N 1 0 359.495 2.362 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H]2CCN(c3ccc(F)cc3F)C2)CC1 ZINC000369073772 556497473 /nfs/dbraw/zinc/49/74/73/556497473.db2.gz JISMKCISGXYEFG-MRXNPFEDSA-N 1 0 364.440 2.493 20 30 FEEDRO N#Cc1ccccc1OCC(=O)NC[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000369160726 556521779 /nfs/dbraw/zinc/52/17/79/556521779.db2.gz KLNLJRNOJNXFRB-SFHVURJKSA-N 1 0 364.449 2.360 20 30 FEEDRO C=CCN1CC[C@H]([N@@H+]2CCC3(C2)CCN(C(=O)OC(C)(C)C)CC3)C1=O ZINC000369204934 556535209 /nfs/dbraw/zinc/53/52/09/556535209.db2.gz QGHBEHWNIHCTPU-INIZCTEOSA-N 1 0 363.502 2.496 20 30 FEEDRO C[N@@H+]1CC[C@H](CNC(=O)N2CCO[C@@H](C#N)C2)[C@H]1c1cccc(Cl)c1 ZINC000369403172 556592507 /nfs/dbraw/zinc/59/25/07/556592507.db2.gz UNMNSGRFKPLFNM-HYVNUMGLSA-N 1 0 362.861 2.267 20 30 FEEDRO N#Cc1cccnc1OC1CCC(NC(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)CC1 ZINC000516167550 562033586 /nfs/dbraw/zinc/03/35/86/562033586.db2.gz HDZPANLZXLRSCX-FCCDEINASA-N 1 0 369.469 2.037 20 30 FEEDRO COc1cccc2c1CC[C@H]2[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000516175338 562034163 /nfs/dbraw/zinc/03/41/63/562034163.db2.gz LJEVIKPSVUOVKY-MRXNPFEDSA-N 1 0 357.435 2.013 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)C[C@@H]2Sc3ccccc3NC2=O)CC1 ZINC000369592111 556641219 /nfs/dbraw/zinc/64/12/19/556641219.db2.gz OVGNVVCAULNTDR-KRWDZBQOSA-N 1 0 357.479 2.093 20 30 FEEDRO N#Cc1ccc2ncc(C[NH2+][C@H]3CC[C@@H](C(=O)N4CCCCC4)C3)n2c1 ZINC000369714293 556675541 /nfs/dbraw/zinc/67/55/41/556675541.db2.gz YKDNAGNMXLRHGK-SJORKVTESA-N 1 0 351.454 2.477 20 30 FEEDRO C[C@@H](C(=O)N1c2ccccc2C[C@H]1C)[NH+]1CCC(n2cnc(C#N)n2)CC1 ZINC000369730861 556680141 /nfs/dbraw/zinc/68/01/41/556680141.db2.gz RUWFTBDVKVNEFM-CABCVRRESA-N 1 0 364.453 2.153 20 30 FEEDRO COc1cc(CNC(=O)[C@@H]([NH3+])CCCC#N)ccc1OCc1cccnc1 ZINC000516460594 562043543 /nfs/dbraw/zinc/04/35/43/562043543.db2.gz RSUJDKBEZGERAH-KRWDZBQOSA-N 1 0 368.437 2.307 20 30 FEEDRO C[C@@H](CCNC(=O)N1CCN(C2CC2)[C@@H](C#N)C1)[N@H+](C)Cc1ccccc1 ZINC000369986820 556749788 /nfs/dbraw/zinc/74/97/88/556749788.db2.gz PVLVUTHTPGWPOG-PXNSSMCTSA-N 1 0 369.513 2.279 20 30 FEEDRO C[C@H](c1ccccc1)[C@H](O)C[NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000516563793 562048086 /nfs/dbraw/zinc/04/80/86/562048086.db2.gz UQYOTORUHWWYRE-TYCQWZJGSA-N 1 0 363.461 2.413 20 30 FEEDRO COCCc1ccc(OC[C@@H](O)C[NH2+]Cc2ccc(C#N)c(F)c2)cc1 ZINC000516563795 562048099 /nfs/dbraw/zinc/04/80/99/562048099.db2.gz UTDPIBDRDQBNIL-SFHVURJKSA-N 1 0 358.413 2.416 20 30 FEEDRO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 ZINC000370001280 556754194 /nfs/dbraw/zinc/75/41/94/556754194.db2.gz ZTONEQLVWJELIP-DZGCQCFKSA-N 1 0 368.416 2.583 20 30 FEEDRO CCOC(=O)C1(COC)CC[NH+](CCC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000370109986 556783223 /nfs/dbraw/zinc/78/32/23/556783223.db2.gz HJHFZXJIAOVZKM-UHFFFAOYSA-N 1 0 373.453 2.179 20 30 FEEDRO CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1cccs1 ZINC000370295252 556832370 /nfs/dbraw/zinc/83/23/70/556832370.db2.gz VMRQRHUPBDOLJG-YCPHGPKFSA-N 1 0 370.544 2.057 20 30 FEEDRO N#CCCN(C(=O)CN1CC[NH+]([C@H]2CCSC2)CC1)c1ccccc1 ZINC000370403893 556861935 /nfs/dbraw/zinc/86/19/35/556861935.db2.gz CLOWSZCNKRAEBJ-SFHVURJKSA-N 1 0 358.511 2.056 20 30 FEEDRO O=C(C[NH2+][C@@H]1CCO[C@@H]1C1CC1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000370667439 556934985 /nfs/dbraw/zinc/93/49/85/556934985.db2.gz MKAOYGMBAZCYKG-SJLPKXTDSA-N 1 0 366.383 2.330 20 30 FEEDRO C[C@H](NS(=O)(=O)c1ccc(C#N)o1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000370668172 556935313 /nfs/dbraw/zinc/93/53/13/556935313.db2.gz UAVYQKYSVKFQPV-GOEBONIOSA-N 1 0 359.451 2.340 20 30 FEEDRO C=C(C)CN(CC)C(=O)C[NH+]1CCC(O)(Cc2ccccc2OC)CC1 ZINC000370718163 556948332 /nfs/dbraw/zinc/94/83/32/556948332.db2.gz AIRMICTVDPLWAB-UHFFFAOYSA-N 1 0 360.498 2.489 20 30 FEEDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000371335251 557150822 /nfs/dbraw/zinc/15/08/22/557150822.db2.gz JXIVYJKKLGBKOU-HXUWFJFHSA-N 1 0 368.481 2.468 20 30 FEEDRO C=CCOc1cccc(C[N@H+]2CCCN(c3ncccc3C(N)=O)CC2)c1 ZINC000371420510 557181641 /nfs/dbraw/zinc/18/16/41/557181641.db2.gz YSYFJMXYEOZPTE-UHFFFAOYSA-N 1 0 366.465 2.458 20 30 FEEDRO CC(C)(C)OC(=O)NCC(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000371530915 557211606 /nfs/dbraw/zinc/21/16/06/557211606.db2.gz ZNFPVQPKGIVNKB-UHFFFAOYSA-N 1 0 372.469 2.186 20 30 FEEDRO C=CC1CC[NH+]([C@H]2CC(=O)N(CCc3ccc(OC)c(OC)c3)C2=O)CC1 ZINC000517708931 562095821 /nfs/dbraw/zinc/09/58/21/562095821.db2.gz GDRZOTNWMHNERE-KRWDZBQOSA-N 1 0 372.465 2.272 20 30 FEEDRO Cc1cc(C)cc(N2CC[C@H](C(=O)N(CCC#N)CCC[NH+](C)C)C2=O)c1 ZINC000517863096 562099310 /nfs/dbraw/zinc/09/93/10/562099310.db2.gz FEKFVLFRRYUBHF-LJQANCHMSA-N 1 0 370.497 2.350 20 30 FEEDRO N#Cc1ccc(-n2ccc(NC(=O)N3CC[NH+](C4CCC4)CC3)n2)c(F)c1 ZINC000371736294 557278428 /nfs/dbraw/zinc/27/84/28/557278428.db2.gz NXKQOVBYNHCVCT-UHFFFAOYSA-N 1 0 368.416 2.585 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)NCCC(=O)NCc2ccccc2)CC1 ZINC000517998295 562102179 /nfs/dbraw/zinc/10/21/79/562102179.db2.gz YTTCMUCLZJXWEW-UHFFFAOYSA-N 1 0 358.486 2.033 20 30 FEEDRO COCCOc1ccc(C#N)cc1NC(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000371765902 557287467 /nfs/dbraw/zinc/28/74/67/557287467.db2.gz LXLQYCHQEHLKGF-CVEARBPZSA-N 1 0 358.442 2.332 20 30 FEEDRO CC1CC[NH+](CC2CCN(C(=O)N=c3ccn(CCC#N)[nH]3)CC2)CC1 ZINC000371791923 557295090 /nfs/dbraw/zinc/29/50/90/557295090.db2.gz DXGOOOMORFGDIG-UHFFFAOYSA-N 1 0 358.490 2.773 20 30 FEEDRO CC[NH+]1CCC(CNC(=O)N2CCN(c3cccc(F)c3C#N)CC2)CC1 ZINC000518798653 562118772 /nfs/dbraw/zinc/11/87/72/562118772.db2.gz MUUGKNKYRLXSAD-UHFFFAOYSA-N 1 0 373.476 2.261 20 30 FEEDRO Cc1ncc(S(=O)(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1C#N ZINC000518871987 562120000 /nfs/dbraw/zinc/12/00/00/562120000.db2.gz BVEBSUIICGFMTK-CABCVRRESA-N 1 0 362.499 2.193 20 30 FEEDRO Cc1ncc(S(=O)(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1C#N ZINC000518871992 562120015 /nfs/dbraw/zinc/12/00/15/562120015.db2.gz BVEBSUIICGFMTK-LSDHHAIUSA-N 1 0 362.499 2.193 20 30 FEEDRO C=CCN1C(=O)c2ccc(C(=O)NC[C@@H](C)Cn3ccnc3C)cc2C1=O ZINC000518871487 562120054 /nfs/dbraw/zinc/12/00/54/562120054.db2.gz SLFRQXCBINRNHD-CYBMUJFWSA-N 1 0 366.421 2.040 20 30 FEEDRO Cc1cccc(N(CCC#N)C(=O)CN2CCCC[C@@H]2C(=[NH2+])NO)c1C ZINC000372311069 557436530 /nfs/dbraw/zinc/43/65/30/557436530.db2.gz XUMLVRHJSCCRMG-QGZVFWFLSA-N 1 0 357.458 2.361 20 30 FEEDRO Cc1cc(NC(=O)N(CC[NH+](C)C)C(C)C)nn1-c1cccc(C#N)c1 ZINC000372374017 557454051 /nfs/dbraw/zinc/45/40/51/557454051.db2.gz DVYIUQCHSCNGIK-UHFFFAOYSA-N 1 0 354.458 2.856 20 30 FEEDRO C#CCCOc1ccc(C[NH2+]C[C@@H]2CC(=O)N(C)[C@H]2c2cnn(C)c2)cc1 ZINC000372388719 557457214 /nfs/dbraw/zinc/45/72/14/557457214.db2.gz DFKCBPHZXGTQQE-LAUBAEHRSA-N 1 0 366.465 2.131 20 30 FEEDRO CC[C@H]1CN(Cc2ncc(-c3ccc(C#N)cc3)o2)CC[N@@H+]1C[C@H](C)O ZINC000372648046 557529557 /nfs/dbraw/zinc/52/95/57/557529557.db2.gz GVIWOIJZGJBFHR-YJBOKZPZSA-N 1 0 354.454 2.490 20 30 FEEDRO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CC[C@]2(C1)CCCN(C)C2=O ZINC000372901544 557584961 /nfs/dbraw/zinc/58/49/61/557584961.db2.gz GCVMCSDAZAALRY-DJJJIMSYSA-N 1 0 374.872 2.483 20 30 FEEDRO Cc1ccc(O[C@@H](C)C[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)cc1 ZINC000519760000 562142939 /nfs/dbraw/zinc/14/29/39/562142939.db2.gz OKXSNQUTIDGGTK-HNNXBMFYSA-N 1 0 359.451 2.093 20 30 FEEDRO N#Cc1ccsc1NC(=O)CC[NH2+][C@@H]1CCCC[C@@H]1N1CCOCC1 ZINC000373073042 557622030 /nfs/dbraw/zinc/62/20/30/557622030.db2.gz AQDPYBNRHFJKOG-CVEARBPZSA-N 1 0 362.499 2.181 20 30 FEEDRO N#CCCN(C(=O)C[NH2+][C@H]1CCCC[C@H]1N1CCOCC1)c1ccccc1 ZINC000373119556 557632776 /nfs/dbraw/zinc/63/27/76/557632776.db2.gz ZKBJKHWWPPRGRV-VQTJNVASSA-N 1 0 370.497 2.166 20 30 FEEDRO N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CC[C@](O)(c3ccc(F)cc3)C2)cc1 ZINC000373200078 557648465 /nfs/dbraw/zinc/64/84/65/557648465.db2.gz CTRCVCYJYZXWQL-AZUAARDMSA-N 1 0 356.397 2.031 20 30 FEEDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NCc1cc(C#N)ccc1F ZINC000373270980 557662534 /nfs/dbraw/zinc/66/25/34/557662534.db2.gz OLZRCGCFCKRTOU-CQSZACIVSA-N 1 0 360.433 2.092 20 30 FEEDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000373290526 557666404 /nfs/dbraw/zinc/66/64/04/557666404.db2.gz ATLPWEFEJPTESM-MRXNPFEDSA-N 1 0 353.466 2.302 20 30 FEEDRO C#CCOc1ccccc1NC(=O)C(=O)N1CCC([N@H+]2CCC[C@@H]2C)CC1 ZINC000373474174 557700681 /nfs/dbraw/zinc/70/06/81/557700681.db2.gz WXDKPEHIXUCFFJ-INIZCTEOSA-N 1 0 369.465 2.112 20 30 FEEDRO CCOC(=O)C1(COC)CC[NH+](CCC(=O)Nc2ccccc2C#N)CC1 ZINC000373727682 557746018 /nfs/dbraw/zinc/74/60/18/557746018.db2.gz ITOPWFWISOHTCZ-UHFFFAOYSA-N 1 0 373.453 2.179 20 30 FEEDRO N#Cc1cc(NC(=O)C(=O)NC2CC([NH+]3CCCCC3)C2)ccc1Cl ZINC000373768100 557754999 /nfs/dbraw/zinc/75/49/99/557754999.db2.gz RGYAJMUMCZGNFZ-UHFFFAOYSA-N 1 0 360.845 2.283 20 30 FEEDRO Cc1cccc2ncc(C[NH2+][C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)n21 ZINC000373814025 557765445 /nfs/dbraw/zinc/76/54/45/557765445.db2.gz ZMBOXGNULGTESA-LJQANCHMSA-N 1 0 359.433 2.405 20 30 FEEDRO Cn1cc([C@H]2[C@@H](CNC(=O)NCC3CCC(C#N)CC3)CCC[N@@H+]2C)cn1 ZINC000374143361 557831081 /nfs/dbraw/zinc/83/10/81/557831081.db2.gz MCFKPNQRZKXBGI-HTPOPCQBSA-N 1 0 372.517 2.432 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H]2c2cccc(C)n2)CC1 ZINC000520859997 562165287 /nfs/dbraw/zinc/16/52/87/562165287.db2.gz MLNKLLDBMZYPIH-LJQANCHMSA-N 1 0 370.497 2.210 20 30 FEEDRO C[C@H](CC[NH+](C)C)NC(=O)C(=O)Nc1cccc(C#Cc2ccccc2)c1 ZINC000521030352 562167920 /nfs/dbraw/zinc/16/79/20/562167920.db2.gz AJIOCDBTLQAOPA-QGZVFWFLSA-N 1 0 363.461 2.481 20 30 FEEDRO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCC[C@H](CNC(=O)c2ccco2)C1 ZINC000374553097 557899154 /nfs/dbraw/zinc/89/91/54/557899154.db2.gz VULMZVFPRLVEKH-IAGOWNOFSA-N 1 0 359.470 2.311 20 30 FEEDRO N#Cc1cccc(CNC(=O)C[N@@H+]2CC[C@H](n3ncc4ccccc43)C2)c1 ZINC000374742642 557924047 /nfs/dbraw/zinc/92/40/47/557924047.db2.gz KEYKMJRDOBKWQE-IBGZPJMESA-N 1 0 359.433 2.471 20 30 FEEDRO CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](CC(=O)NCc2cccc(C#N)c2)C1 ZINC000521186787 562171228 /nfs/dbraw/zinc/17/12/28/562171228.db2.gz SSVCXOIQNDVBCJ-VQIMIIECSA-N 1 0 370.497 2.191 20 30 FEEDRO N#Cc1ccc(N2CC[C@H]([N@@H+]3CC[C@@]4(C3)C(=O)Nc3ccccc34)C2=O)cc1 ZINC000375316567 558008071 /nfs/dbraw/zinc/00/80/71/558008071.db2.gz ADXAAFIPVWNUPL-UGKGYDQZSA-N 1 0 372.428 2.259 20 30 FEEDRO C=C[C@](C)(CCOC)C(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000375344466 558012711 /nfs/dbraw/zinc/01/27/11/558012711.db2.gz FKDQSPBOPCAUSN-LJQANCHMSA-N 1 0 351.535 2.282 20 30 FEEDRO C[C@@H](CO)[N@@H+]1CCCN(Cc2cccn2Cc2ccccc2C#N)CC1 ZINC000375487938 558036143 /nfs/dbraw/zinc/03/61/43/558036143.db2.gz YGJHDJPFNJDQBF-SFHVURJKSA-N 1 0 352.482 2.297 20 30 FEEDRO C#CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCC(=O)N[C@H]2c2ccnn2C)cc1 ZINC000375517549 558041655 /nfs/dbraw/zinc/04/16/55/558041655.db2.gz VZHXFZQJLABRHR-WIBUTAKZSA-N 1 0 352.438 2.103 20 30 FEEDRO C=CCN(C(=O)c1ccoc1CC(N)=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000375640007 558060866 /nfs/dbraw/zinc/06/08/66/558060866.db2.gz FDNMZKNAJBPUIM-KRWDZBQOSA-N 1 0 367.449 2.210 20 30 FEEDRO N#Cc1ccc(C[NH2+]C[C@H]2CCN(S(=O)(=O)c3cccs3)C2)o1 ZINC000375737898 558074998 /nfs/dbraw/zinc/07/49/98/558074998.db2.gz HJSRIKWVJBMPKG-GFCCVEGCSA-N 1 0 351.453 2.013 20 30 FEEDRO Cc1nc(C)n(C[C@@H]2CCC[N@@H+]2CCC(=O)Nc2ccccc2C#N)n1 ZINC000375816498 558084245 /nfs/dbraw/zinc/08/42/45/558084245.db2.gz RWFJPDKWUNZJJH-KRWDZBQOSA-N 1 0 352.442 2.260 20 30 FEEDRO CN(Cc1ccc(C#N)cc1)C(=O)N=c1ccn(C2CC[NH+](C)CC2)[nH]1 ZINC000376046994 558119090 /nfs/dbraw/zinc/11/90/90/558119090.db2.gz LINFCGLXTASZDF-UHFFFAOYSA-N 1 0 352.442 2.685 20 30 FEEDRO N#Cc1cc(C(=O)NC[C@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)ccc1F ZINC000376068923 558122551 /nfs/dbraw/zinc/12/25/51/558122551.db2.gz QKKYKJBCJAFVMK-MSOLQXFVSA-N 1 0 353.397 2.063 20 30 FEEDRO C[NH+](C)CCCCCCCNC(=O)N1CCC(n2cnc(C#N)n2)CC1 ZINC000376085433 558124851 /nfs/dbraw/zinc/12/48/51/558124851.db2.gz VZVMDJDZOKRKDK-UHFFFAOYSA-N 1 0 361.494 2.008 20 30 FEEDRO C[NH+]1CCC(Oc2cc(NC(=O)COc3ccc(C#N)cc3)ccn2)CC1 ZINC000376863771 558231145 /nfs/dbraw/zinc/23/11/45/558231145.db2.gz HKGIFBZQKDZWOM-UHFFFAOYSA-N 1 0 366.421 2.444 20 30 FEEDRO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+](C)C[C@H]1CCCN1c1cccnn1 ZINC000377565432 558365920 /nfs/dbraw/zinc/36/59/20/558365920.db2.gz KFUJRUMCAQDDNX-MAUKXSAKSA-N 1 0 364.453 2.276 20 30 FEEDRO CN(CCC#N)c1ccc(C[N@@H+]2CCC[C@H](CN3CC[NH+](C)CC3)C2)cc1 ZINC000377630869 558381348 /nfs/dbraw/zinc/38/13/48/558381348.db2.gz UEQKHMKMFFUYSW-OAQYLSRUSA-N 1 0 369.557 2.496 20 30 FEEDRO Cc1noc([C@@H](C)NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)n1 ZINC000522440951 562198498 /nfs/dbraw/zinc/19/84/98/562198498.db2.gz HTOONGYTUGILFO-CYBMUJFWSA-N 1 0 356.430 2.084 20 30 FEEDRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000377676382 558394150 /nfs/dbraw/zinc/39/41/50/558394150.db2.gz QKCLYKNQSMFUND-FQEVSTJZSA-N 1 0 369.513 2.409 20 30 FEEDRO COc1cc(CN2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)ccc1C#N ZINC000377701147 558400620 /nfs/dbraw/zinc/40/06/20/558400620.db2.gz SATWIZDBUMUENJ-YOFSQIOKSA-N 1 0 354.498 2.310 20 30 FEEDRO C#CCNC(=O)c1ccc(N2C[C@@H]3C[N@@H+](C)[C@@H](c4ccccc4)[C@@H]3C2)nc1 ZINC000377836874 558431927 /nfs/dbraw/zinc/43/19/27/558431927.db2.gz GTOFJTVWDZKCMY-ZVDOUQERSA-N 1 0 360.461 2.184 20 30 FEEDRO COC(=O)c1ccc(CN2C[C@@H](C#N)[C@]3(C2)c2ccccc2NC3=O)cc1 ZINC000378285133 558519569 /nfs/dbraw/zinc/51/95/69/558519569.db2.gz HTGDTVLZDALJNL-IIBYNOLFSA-N 1 0 361.401 2.319 20 30 FEEDRO C[NH+](C)C1(CNC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)CCCC1 ZINC000523519086 562214597 /nfs/dbraw/zinc/21/45/97/562214597.db2.gz MFQACXZICRQHAA-UHFFFAOYSA-N 1 0 373.476 2.403 20 30 FEEDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNS(=O)(=O)c2ccc(C#N)cc2F)C1 ZINC000523573344 562215609 /nfs/dbraw/zinc/21/56/09/562215609.db2.gz UXSXMYYUCPBIOR-ZIAGYGMSSA-N 1 0 353.463 2.344 20 30 FEEDRO C=C(C)COc1cccc(NC(=O)C(=O)N2CCC(C[NH+](C)C)CC2)c1 ZINC000524082161 562223673 /nfs/dbraw/zinc/22/36/73/562223673.db2.gz BLSUGGLGCFZGKW-UHFFFAOYSA-N 1 0 359.470 2.380 20 30 FEEDRO C[C@H](C#N)CN(C)S(=O)(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1 ZINC000409596476 558706782 /nfs/dbraw/zinc/70/67/82/558706782.db2.gz KKHZJYJXMUZBHD-CQSZACIVSA-N 1 0 372.922 2.040 20 30 FEEDRO C=CCNC(=O)NC(=O)CN(CC)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000524599480 562230970 /nfs/dbraw/zinc/23/09/70/562230970.db2.gz KJJPNUWDVYHCGE-AEFFLSMTSA-N 1 0 358.486 2.156 20 30 FEEDRO C[C@@H](C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)n1cnc(C#N)n1 ZINC000409747430 558718289 /nfs/dbraw/zinc/71/82/89/558718289.db2.gz MZVPQNLNRXQTTN-SOLBZPMBSA-N 1 0 366.469 2.222 20 30 FEEDRO C=CCN1CC[C@H](N(C)C(=O)[C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)C1=O ZINC000410108728 558738907 /nfs/dbraw/zinc/73/89/07/558738907.db2.gz XTWMWPMMKBYYLR-HKUYNNGSSA-N 1 0 373.472 2.283 20 30 FEEDRO CCN(CCC#N)S(=O)(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000410140036 558741218 /nfs/dbraw/zinc/74/12/18/558741218.db2.gz OYFOOIPUUYCGED-IAGOWNOFSA-N 1 0 356.536 2.053 20 30 FEEDRO N#CC1(CCC[N@@H+](CC(=O)N2CCCC2)C[C@@H]2CCCO2)CCOCC1 ZINC000410391543 558754629 /nfs/dbraw/zinc/75/46/29/558754629.db2.gz MBTWUGITKASGEK-SFHVURJKSA-N 1 0 363.502 2.190 20 30 FEEDRO C=CCN(CCc1ccco1)C(=O)C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000410824786 558814500 /nfs/dbraw/zinc/81/45/00/558814500.db2.gz MXQKTYPQDUMCTE-UHFFFAOYSA-N 1 0 373.497 2.171 20 30 FEEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)[C@H]1CCN(c2cnn(C)c2)C1=O ZINC000411199003 558852152 /nfs/dbraw/zinc/85/21/52/558852152.db2.gz YMARUKYLLRYAMW-KRWDZBQOSA-N 1 0 355.398 2.122 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(OCC)cc2F)CC1 ZINC000411231165 558856968 /nfs/dbraw/zinc/85/69/68/558856968.db2.gz SPBMAECDUWMUEX-UHFFFAOYSA-N 1 0 363.433 2.320 20 30 FEEDRO Cc1cc(NC(=O)C(=O)NCC2CCC(C#N)CC2)ccc1C[NH+](C)C ZINC000411498025 558905600 /nfs/dbraw/zinc/90/56/00/558905600.db2.gz PKSKEPZDKIXWBQ-UHFFFAOYSA-N 1 0 356.470 2.441 20 30 FEEDRO CO[C@H]1c2ccccc2C[C@H]1[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000411889713 558983774 /nfs/dbraw/zinc/98/37/74/558983774.db2.gz GNSUZDODKYVTTF-MOPGFXCFSA-N 1 0 356.447 2.234 20 30 FEEDRO COC(=O)[C@@]1(C)CCC[N@@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000412067830 559009055 /nfs/dbraw/zinc/00/90/55/559009055.db2.gz MGOKVSWRAUXYLP-PXNSSMCTSA-N 1 0 355.438 2.329 20 30 FEEDRO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@@H](CO)[C@H]2C)cc1 ZINC000412095561 559012696 /nfs/dbraw/zinc/01/26/96/559012696.db2.gz XXDTVEQRNMUUFQ-SJORKVTESA-N 1 0 359.470 2.425 20 30 FEEDRO C[C@H]1[C@@H](CO)CCC[N@@H+]1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000412100078 559013478 /nfs/dbraw/zinc/01/34/78/559013478.db2.gz XEOJJCXTJBIWEJ-GOEBONIOSA-N 1 0 368.399 2.266 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2=O)CC1 ZINC000413231381 559090509 /nfs/dbraw/zinc/09/05/09/559090509.db2.gz FLWAROCYDRANBM-GOSISDBHSA-N 1 0 374.460 2.271 20 30 FEEDRO C=CC[C@H](Cc1ccccc1)NC(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000413399977 559105025 /nfs/dbraw/zinc/10/50/25/559105025.db2.gz JUGXOXVJHSALFY-LJQANCHMSA-N 1 0 358.530 2.499 20 30 FEEDRO CCn1ccc(CNC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)n1 ZINC000413637004 559121888 /nfs/dbraw/zinc/12/18/88/559121888.db2.gz DRKJHAWGPUQAPB-UHFFFAOYSA-N 1 0 354.458 2.048 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)Nc1ccc2c(c1)CCN2)C(C)C ZINC000414694517 559180225 /nfs/dbraw/zinc/18/02/25/559180225.db2.gz OALYKDVZONBHAB-IBGZPJMESA-N 1 0 370.497 2.408 20 30 FEEDRO N#Cc1cc(NC(=O)N2CCCO[C@@H](C[NH3+])C2)ccc1OCC(F)(F)F ZINC000414839517 559190424 /nfs/dbraw/zinc/19/04/24/559190424.db2.gz LKCZXTPKZQQSCM-ZDUSSCGKSA-N 1 0 372.347 2.081 20 30 FEEDRO C=CCN(CCC#N)C(=O)C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000415257953 559219246 /nfs/dbraw/zinc/21/92/46/559219246.db2.gz BVWCWPYRFZWVGD-UHFFFAOYSA-N 1 0 354.332 2.031 20 30 FEEDRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000415409109 559232389 /nfs/dbraw/zinc/23/23/89/559232389.db2.gz DDYCADLFNUHDNF-CQSZACIVSA-N 1 0 366.421 2.261 20 30 FEEDRO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)Nc1sc(C(C)(C)C)cc1C#N ZINC000415425337 559234959 /nfs/dbraw/zinc/23/49/59/559234959.db2.gz JWHWEYMQKFERKY-GFCCVEGCSA-N 1 0 350.488 2.345 20 30 FEEDRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)Nc2ccccc2SCCC#N)C1 ZINC000415437008 559236742 /nfs/dbraw/zinc/23/67/42/559236742.db2.gz KKLBRDPOVRGIKS-ZIAGYGMSSA-N 1 0 360.483 2.217 20 30 FEEDRO C[C@@H]1CCCN(C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)[C@@H]1C[NH3+] ZINC000415437496 559236930 /nfs/dbraw/zinc/23/69/30/559236930.db2.gz CCIZEKZGMLEOHZ-MLGOLLRUSA-N 1 0 372.860 2.988 20 30 FEEDRO C[C@@](C[NH3+])(NC(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1)C1CC1 ZINC000415471032 559240856 /nfs/dbraw/zinc/24/08/56/559240856.db2.gz ZTMKAAQJSYGNKK-KRWDZBQOSA-N 1 0 358.833 2.646 20 30 FEEDRO N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)n1 ZINC000415471175 559240928 /nfs/dbraw/zinc/24/09/28/559240928.db2.gz ZYIWMFREMZYNGT-ZIAGYGMSSA-N 1 0 358.833 2.789 20 30 FEEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000415516336 559245630 /nfs/dbraw/zinc/24/56/30/559245630.db2.gz FTOLZKVFZSQPCV-MGPQQGTHSA-N 1 0 360.483 2.073 20 30 FEEDRO C[NH2+]C[C@H](C)CNC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N ZINC000415554448 559249098 /nfs/dbraw/zinc/24/90/98/559249098.db2.gz DGWQOCUIZUZGFP-AWEZNQCLSA-N 1 0 357.458 2.247 20 30 FEEDRO N#CCCCN1C(=O)CCc2cc(NC(=O)NC[C@@H]3CCC[NH2+]C3)ccc21 ZINC000415563663 559250178 /nfs/dbraw/zinc/25/01/78/559250178.db2.gz PQYQJNQFHFARDC-OAHLLOKOSA-N 1 0 369.469 2.391 20 30 FEEDRO CC(C)(C)n1cc(C#N)cc1NC(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000415585438 559252857 /nfs/dbraw/zinc/25/28/57/559252857.db2.gz XMKAHDAEVINIEJ-UHFFFAOYSA-N 1 0 372.517 2.453 20 30 FEEDRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)Nc1ccc(S(=O)(=O)[C@@H](C)C#N)cc1 ZINC000415605906 559254652 /nfs/dbraw/zinc/25/46/52/559254652.db2.gz YDLAXJLYQWQTFM-HEHGZKQESA-N 1 0 364.471 2.106 20 30 FEEDRO N#CCCSc1ccccc1NC(=O)C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000415763550 559268807 /nfs/dbraw/zinc/26/88/07/559268807.db2.gz IPVRHQKRZKMFFP-UHFFFAOYSA-N 1 0 372.494 2.233 20 30 FEEDRO C=CCOc1cccc(NC(=O)C(=O)N2CCC([C@@H]3[NH2+]CC3(C)C)CC2)c1 ZINC000415865160 559279792 /nfs/dbraw/zinc/27/97/92/559279792.db2.gz UDIKIVDYJVQONW-SFHVURJKSA-N 1 0 371.481 2.427 20 30 FEEDRO C[C@@]1(C[NH3+])CCN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)C1 ZINC000417572908 559367233 /nfs/dbraw/zinc/36/72/33/559367233.db2.gz HANKELAXFNRYNJ-KXBFYZLASA-N 1 0 359.449 2.046 20 30 FEEDRO CC(C)(CCC[NH3+])NC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000417578759 559367356 /nfs/dbraw/zinc/36/73/56/559367356.db2.gz OIAQSWCYLNINKW-OAHLLOKOSA-N 1 0 361.465 2.483 20 30 FEEDRO N#Cc1ccc(N2CCC[C@@H](NC(=O)N3CCCC[C@@H]3C[NH3+])C2)c(F)c1 ZINC000417577491 559367444 /nfs/dbraw/zinc/36/74/44/559367444.db2.gz LSCSSMQILPPVHN-HZPDHXFCSA-N 1 0 359.449 2.189 20 30 FEEDRO N#Cc1ccc(OCCNC(=O)N(CCC[NH3+])Cc2ccccc2)cc1 ZINC000417772750 559375930 /nfs/dbraw/zinc/37/59/30/559375930.db2.gz ZCMYLQOFMUCDPM-UHFFFAOYSA-N 1 0 352.438 2.498 20 30 FEEDRO N#Cc1ccccc1-c1ccc(CNC(=O)N2CCCO[C@H](C[NH3+])C2)cc1 ZINC000418005589 559386201 /nfs/dbraw/zinc/38/62/01/559386201.db2.gz ZHUMMKMEPPDHMD-LJQANCHMSA-N 1 0 364.449 2.484 20 30 FEEDRO N#Cc1ccccc1N1CCCN(C(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000418715531 559412129 /nfs/dbraw/zinc/41/21/29/559412129.db2.gz IPGFPEPJVDAURN-FUHWJXTLSA-N 1 0 355.486 2.297 20 30 FEEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000418754084 559414129 /nfs/dbraw/zinc/41/41/29/559414129.db2.gz WGDKLSDZIOUCIQ-CQSZACIVSA-N 1 0 354.357 2.290 20 30 FEEDRO C[N@H+](CCN1C(=O)N[C@](C)(c2cccc(C#N)c2)C1=O)Cc1ccccc1 ZINC000418871283 559420262 /nfs/dbraw/zinc/42/02/62/559420262.db2.gz VFEFYVARQVLYLX-OAQYLSRUSA-N 1 0 362.433 2.457 20 30 FEEDRO C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000419064080 559426828 /nfs/dbraw/zinc/42/68/28/559426828.db2.gz XGJAYIXYOJFABE-OALUTQOASA-N 1 0 357.498 2.314 20 30 FEEDRO C[C@@H](NC(=O)C(=O)NCC[NH2+]C1CCCCCC1)c1ccc(C#N)cc1 ZINC000419279921 559435181 /nfs/dbraw/zinc/43/51/81/559435181.db2.gz ILOYFKWNSSJLIH-OAHLLOKOSA-N 1 0 356.470 2.164 20 30 FEEDRO CC[C@@](C[NH2+][C@H](C(N)=O)c1ccc(C#N)cc1)(C(=O)OC)c1ccccc1 ZINC000419357467 559439449 /nfs/dbraw/zinc/43/94/49/559439449.db2.gz PFNHJBWHRGFFHT-RXVVDRJESA-N 1 0 365.433 2.195 20 30 FEEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000419888293 559463416 /nfs/dbraw/zinc/46/34/16/559463416.db2.gz LREJBHRXXLHGBE-STQMWFEESA-N 1 0 369.918 2.420 20 30 FEEDRO CC(C)N(Cc1ccc(C#N)cc1)C(=O)C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000420162962 559475262 /nfs/dbraw/zinc/47/52/62/559475262.db2.gz KXUMMRKZUYIVLI-GOSISDBHSA-N 1 0 370.497 2.190 20 30 FEEDRO C[C@@H]1CCN(S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)[C@H](C[NH3+])C1 ZINC000420426336 559486869 /nfs/dbraw/zinc/48/68/69/559486869.db2.gz UQMNYLPUSBBBOK-PWSUYJOCSA-N 1 0 361.389 2.325 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c(Cl)c1 ZINC000420450829 559488095 /nfs/dbraw/zinc/48/80/95/559488095.db2.gz HMZWTDWGVNJGNN-KBPBESRZSA-N 1 0 353.875 2.222 20 30 FEEDRO CC[NH+](CC)[C@@H](CNC(=O)C(=O)NCC(C)(C)CC#N)c1ccccc1 ZINC000420857196 559507930 /nfs/dbraw/zinc/50/79/30/559507930.db2.gz HELBPRJWOQAXHL-KRWDZBQOSA-N 1 0 358.486 2.242 20 30 FEEDRO N#Cc1ccc(C[NH2+]C[C@H](O)COc2ccc3c(c2)CCC(=O)N3)cc1F ZINC000421326950 559539237 /nfs/dbraw/zinc/53/92/37/559539237.db2.gz PCMOIOUHUYLNRB-INIZCTEOSA-N 1 0 369.396 2.112 20 30 FEEDRO CC(C)(CC#N)CNC(=O)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000422270714 559574708 /nfs/dbraw/zinc/57/47/08/559574708.db2.gz OVECTDXLQNECPE-UHFFFAOYSA-N 1 0 370.497 2.071 20 30 FEEDRO C=CCN(C(=O)c1cn(CCCC[NH3+])nn1)c1nc2c(s1)CCCC2 ZINC000422928871 559611607 /nfs/dbraw/zinc/61/16/07/559611607.db2.gz NCJIEXKCGQPCRA-UHFFFAOYSA-N 1 0 360.487 2.185 20 30 FEEDRO CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+]C1CCC(Oc2ccccc2C#N)CC1 ZINC000422987490 559614052 /nfs/dbraw/zinc/61/40/52/559614052.db2.gz ISAJRLGDGBATEV-BXNZUYAZSA-N 1 0 357.454 2.131 20 30 FEEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000423020452 559615391 /nfs/dbraw/zinc/61/53/91/559615391.db2.gz BMHKXERTKLSONS-UHFFFAOYSA-N 1 0 355.891 2.127 20 30 FEEDRO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000423531029 559631375 /nfs/dbraw/zinc/63/13/75/559631375.db2.gz SECIJYZTNHHEQX-IPMKNSEASA-N 1 0 370.497 2.117 20 30 FEEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1C[C@@H]([NH3+])Cc2ccccc21 ZINC000424071799 559653766 /nfs/dbraw/zinc/65/37/66/559653766.db2.gz FGICYUWLSMULNU-HNNXBMFYSA-N 1 0 350.422 2.125 20 30 FEEDRO C[C@@H](C(=O)Nc1cccc(NC(=O)[C@@H]([NH3+])CCCC#N)c1)n1cccn1 ZINC000424106257 559655082 /nfs/dbraw/zinc/65/50/82/559655082.db2.gz XHXKQLGPUDUELA-BBRMVZONSA-N 1 0 354.414 2.042 20 30 FEEDRO N#CCCC[C@@H]([NH3+])C(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000424140575 559655939 /nfs/dbraw/zinc/65/59/39/559655939.db2.gz WINCGQXUBJRTSE-CYBMUJFWSA-N 1 0 356.257 2.058 20 30 FEEDRO N#CCCC[C@@H]([NH3+])C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000424142456 559655972 /nfs/dbraw/zinc/65/59/72/559655972.db2.gz UZUYFZRIXZNXSE-OAHLLOKOSA-N 1 0 354.376 2.375 20 30 FEEDRO N#CCCC[C@H]([NH3+])C(=O)N[C@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000424139831 559655978 /nfs/dbraw/zinc/65/59/78/559655978.db2.gz FNVDNYFRZSLODN-GUYCJALGSA-N 1 0 350.413 2.067 20 30 FEEDRO C=CCCn1cc(C(=O)N[C@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)nn1 ZINC000424150357 559656250 /nfs/dbraw/zinc/65/62/50/559656250.db2.gz DGLILNFZHXZGIX-CJNGLKHVSA-N 1 0 361.396 2.008 20 30 FEEDRO N#CCCC[C@H]([NH3+])C(=O)Nc1ccc(C(=O)NC2CCCCC2)c(O)c1 ZINC000424183256 559656974 /nfs/dbraw/zinc/65/69/74/559656974.db2.gz BCYXIKVGICYIHG-INIZCTEOSA-N 1 0 358.442 2.414 20 30 FEEDRO C[C@H]1CC2(CN1C(=O)C(=O)N[C@@H](CCC#N)c1ccccc1)CC[NH2+]CC2 ZINC000424531481 559668494 /nfs/dbraw/zinc/66/84/94/559668494.db2.gz WZNXAMLZDAYMOP-WMZOPIPTSA-N 1 0 368.481 2.138 20 30 FEEDRO C=CCC1(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CCOCC1 ZINC000424744553 559675487 /nfs/dbraw/zinc/67/54/87/559675487.db2.gz UXEIRJAUEYVXEU-QZTJIDSGSA-N 1 0 350.503 2.243 20 30 FEEDRO COc1cc(NC(=O)C[NH2+]Cc2ccc(C#N)c(OC)c2)cc(OC)c1 ZINC000425358234 559698172 /nfs/dbraw/zinc/69/81/72/559698172.db2.gz SVTTZAIFHOZXNA-UHFFFAOYSA-N 1 0 355.394 2.312 20 30 FEEDRO Cc1cccc(N2CC[NH+](CCCNC(=O)N[C@@H]3CC[C@H](C#N)C3)CC2)c1 ZINC000425416115 559701119 /nfs/dbraw/zinc/70/11/19/559701119.db2.gz JVZBPHGKUKMDNU-RBUKOAKNSA-N 1 0 369.513 2.499 20 30 FEEDRO C=CCNC(=O)c1ccc(NC(=O)N2CC[NH+](C(C)(C)COC)CC2)cc1 ZINC000425642310 559712717 /nfs/dbraw/zinc/71/27/17/559712717.db2.gz YGBKJIMVOLJSOY-UHFFFAOYSA-N 1 0 374.485 2.177 20 30 FEEDRO C=CCn1cc(CNC(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)nn1 ZINC000425645190 559712840 /nfs/dbraw/zinc/71/28/40/559712840.db2.gz OICKDNNJVVNUET-HNNXBMFYSA-N 1 0 360.487 2.162 20 30 FEEDRO N#C[C@H]1CC[C@@H](NC(=O)C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000425801436 559720174 /nfs/dbraw/zinc/72/01/74/559720174.db2.gz HDGNDVAHTYRSAI-MAUKXSAKSA-N 1 0 354.454 2.419 20 30 FEEDRO CC[C@]1(O)CC[N@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC000425918219 559725187 /nfs/dbraw/zinc/72/51/87/559725187.db2.gz LAEGLFUKADQGGQ-KRWDZBQOSA-N 1 0 354.372 2.020 20 30 FEEDRO C=CCN(CC=C)C(=O)[C@H](C)N(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425995180 559727126 /nfs/dbraw/zinc/72/71/26/559727126.db2.gz TVVOZFJCHZORFE-SIKLNZKXSA-N 1 0 371.525 2.144 20 30 FEEDRO C=CCC[C@H](CC)[NH2+]C1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 ZINC000428382103 559774406 /nfs/dbraw/zinc/77/44/06/559774406.db2.gz OKJZZFKSXGJCQS-AWEZNQCLSA-N 1 0 366.483 2.165 20 30 FEEDRO C=CC[N@@H+](C)CCN(CC)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000429703864 559804295 /nfs/dbraw/zinc/80/42/95/559804295.db2.gz TVSMASZUCRGWFD-OAHLLOKOSA-N 1 0 354.292 2.415 20 30 FEEDRO CC[C@H](C)[N@H+](C)CCNC(=O)Nc1ccc(S(=O)(=O)[C@@H](C)C#N)cc1 ZINC000429926988 559808909 /nfs/dbraw/zinc/80/89/09/559808909.db2.gz BAUUICDUVTYRTF-KBPBESRZSA-N 1 0 366.487 2.224 20 30 FEEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)COC1C[NH2+]C1 ZINC000430258612 559816413 /nfs/dbraw/zinc/81/64/13/559816413.db2.gz OZGOVSQMWUDPDA-UHFFFAOYSA-N 1 0 357.223 2.091 20 30 FEEDRO C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)c1ncc(C#N)cc1Cl ZINC000432346510 559856845 /nfs/dbraw/zinc/85/68/45/559856845.db2.gz LBAXGQDPXLRGLD-UHFFFAOYSA-N 1 0 357.801 2.019 20 30 FEEDRO Cc1nccc(CCC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)n1 ZINC000432658851 559862618 /nfs/dbraw/zinc/86/26/18/559862618.db2.gz OIXRGWYFAOVMJV-UHFFFAOYSA-N 1 0 351.454 2.180 20 30 FEEDRO COCC[N@H+](C[C@H](O)COc1ccc(C#N)cc1)[C@H]1CCCSC1 ZINC000433193389 559873160 /nfs/dbraw/zinc/87/31/60/559873160.db2.gz QCOYCDGUIQMXPC-IRXDYDNUSA-N 1 0 350.484 2.142 20 30 FEEDRO N#Cc1ccnc(N2CC[NH+](CCC(=O)Nc3cc(F)cc(F)c3)CC2)c1 ZINC000434615309 559903661 /nfs/dbraw/zinc/90/36/61/559903661.db2.gz LRQUVZNGSBPGRM-UHFFFAOYSA-N 1 0 371.391 2.382 20 30 FEEDRO CN(C)C(=O)C1CC[NH+](Cc2cn(CCC#N)nc2-c2ccncc2)CC1 ZINC000434836104 559910403 /nfs/dbraw/zinc/91/04/03/559910403.db2.gz JSHDDIZTHYKIGY-UHFFFAOYSA-N 1 0 366.469 2.159 20 30 FEEDRO C[NH+](C)CCOc1ccccc1CNS(=O)(=O)c1ccc(C#N)s1 ZINC000435437236 559922977 /nfs/dbraw/zinc/92/29/77/559922977.db2.gz JRRIZBBJDOYPCY-UHFFFAOYSA-N 1 0 365.480 2.039 20 30 FEEDRO CC(C)Oc1ccc(NC(=O)C(=O)N2CCC(C[NH+](C)C)CC2)cc1C#N ZINC000435484073 559924053 /nfs/dbraw/zinc/92/40/53/559924053.db2.gz VDFGFJYGWWGNCU-UHFFFAOYSA-N 1 0 372.469 2.084 20 30 FEEDRO C=C(C)[C@H]1OCC[C@H]1CNC(=O)NCC(C)(C)[NH+]1CCC(OC)CC1 ZINC000437724577 559968623 /nfs/dbraw/zinc/96/86/23/559968623.db2.gz VCSCLVWRAQOFOA-DOTOQJQBSA-N 1 0 353.507 2.156 20 30 FEEDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNS(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000438944255 559985886 /nfs/dbraw/zinc/98/58/86/559985886.db2.gz QKJIHRMGMOLPTP-OAHLLOKOSA-N 1 0 353.463 2.486 20 30 FEEDRO C[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccccc2SCCC#N)CC[N@@H+]1C ZINC000442126015 560044419 /nfs/dbraw/zinc/04/44/19/560044419.db2.gz FZJIEERDIUESCK-ZIAGYGMSSA-N 1 0 360.483 2.230 20 30 FEEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000442144982 560044892 /nfs/dbraw/zinc/04/48/92/560044892.db2.gz YWDXKCHEMUHMTB-KFWWJZLASA-N 1 0 374.510 2.476 20 30 FEEDRO CC1(C)CCC[N@H+](CCNC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)C1 ZINC000444616143 560116796 /nfs/dbraw/zinc/11/67/96/560116796.db2.gz NFAAWRIOJYTSBB-UHFFFAOYSA-N 1 0 366.469 2.178 20 30 FEEDRO CCC[C@]1(C(=O)OCC)CCC[N@@H+]1C[C@@H](O)COc1ccc(C#N)cc1 ZINC000444777937 560120678 /nfs/dbraw/zinc/12/06/78/560120678.db2.gz UGSUFKKEHHWQEE-YLJYHZDGSA-N 1 0 360.454 2.496 20 30 FEEDRO Cc1cc(N(CCC#N)C(=O)C[NH2+][C@@H](CO)[C@@H]2CCCO2)ccc1Cl ZINC000447911304 560172638 /nfs/dbraw/zinc/17/26/38/560172638.db2.gz ZNOUBGYGDKMMKS-IRXDYDNUSA-N 1 0 365.861 2.025 20 30 FEEDRO N#Cc1ccc(N2C[C@@H](C(=O)NCCC[NH+]3CCCC3)CC2=O)cc1Cl ZINC000448599371 560192220 /nfs/dbraw/zinc/19/22/20/560192220.db2.gz YYWKPECXDPPLQE-HNNXBMFYSA-N 1 0 374.872 2.167 20 30 FEEDRO C[NH+](C)CCNC(=O)c1ccc(NCc2cnc3ccc(C#N)cn23)cc1 ZINC000527763002 562303038 /nfs/dbraw/zinc/30/30/38/562303038.db2.gz KRZWMIDFXKLDEP-UHFFFAOYSA-N 1 0 362.437 2.109 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)NC[C@H]2CCN2Cc2ccc(OC)cc2)CC1 ZINC000527768551 562303271 /nfs/dbraw/zinc/30/32/71/562303271.db2.gz PBJLWPOZHUCDIO-LJQANCHMSA-N 1 0 372.513 2.219 20 30 FEEDRO C[C@@H]1C[C@@H](NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC[N@@H+]1C ZINC000449942635 560245905 /nfs/dbraw/zinc/24/59/05/560245905.db2.gz UTYIZOJXAVCNBQ-SNPRPXQTSA-N 1 0 374.872 2.163 20 30 FEEDRO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)COc1ccc(C#N)c(Br)c1 ZINC000450382323 560260708 /nfs/dbraw/zinc/26/07/08/560260708.db2.gz WBVCJAZGMBTFTA-NWDGAFQWSA-N 1 0 366.259 2.251 20 30 FEEDRO Cn1c(C#N)ccc1C(=O)NCCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000450409829 560261512 /nfs/dbraw/zinc/26/15/12/560261512.db2.gz YAULJSAIGJHHGI-UHFFFAOYSA-N 1 0 366.465 2.344 20 30 FEEDRO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC[C@@H](CC(C)(C)C(N)=O)C1 ZINC000451214737 560293579 /nfs/dbraw/zinc/29/35/79/560293579.db2.gz XUJHOJMCNLSGMW-CVEARBPZSA-N 1 0 362.518 2.331 20 30 FEEDRO N#Cc1ccc(N2CCC[C@H]([NH2+][C@H]([C@H](CO)C3CC3)C3CC3)C2=O)cc1 ZINC000451614816 560317468 /nfs/dbraw/zinc/31/74/68/560317468.db2.gz PASRUDXRQUZNED-AABGKKOBSA-N 1 0 353.466 2.440 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]CC(=O)Nc1sc(C)cc1C(=O)OCC ZINC000451683332 560321647 /nfs/dbraw/zinc/32/16/47/560321647.db2.gz RMBQKWRRSJXYOC-KGLIPLIRSA-N 1 0 352.456 2.495 20 30 FEEDRO C=CCNC(=O)NC(=O)[C@@H](C)N1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000451886293 560334675 /nfs/dbraw/zinc/33/46/75/560334675.db2.gz CWDQJOFULFTYHC-OAHLLOKOSA-N 1 0 352.523 2.219 20 30 FEEDRO C=CCN1CC[C@@H]([NH2+][C@@H]2CN(CC(F)(F)F)C[C@H]2c2ccccc2)C1=O ZINC000452026689 560346234 /nfs/dbraw/zinc/34/62/34/560346234.db2.gz VEOGUBDFACAVTL-GVDBMIGSSA-N 1 0 367.415 2.393 20 30 FEEDRO C[NH+](C)Cc1ccc(CNC(=O)C(=O)Nc2cccc(CC#N)c2)cc1 ZINC000453567380 560388901 /nfs/dbraw/zinc/38/89/01/560388901.db2.gz GKQCCBCPBZPZGJ-UHFFFAOYSA-N 1 0 350.422 2.069 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)Nc1ccc(C#N)c(C)n1)C(C)C ZINC000453592269 560390141 /nfs/dbraw/zinc/39/01/41/560390141.db2.gz HTGHXVREQWQTCU-QGZVFWFLSA-N 1 0 369.469 2.015 20 30 FEEDRO C[C@H]1CCC[N@H+](CCCCNC(=O)C(=O)Nc2cccc(CC#N)c2)C1 ZINC000453598871 560390445 /nfs/dbraw/zinc/39/04/45/560390445.db2.gz MNWNMAZBWRKPCU-INIZCTEOSA-N 1 0 356.470 2.319 20 30 FEEDRO C[C@@H]1[C@H](NC(=O)C(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)CCC[N@@H+]1C ZINC000453698902 560397705 /nfs/dbraw/zinc/39/77/05/560397705.db2.gz JRKUPMYIXWUQHO-CZUORRHYSA-N 1 0 372.469 2.273 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000453726120 560399830 /nfs/dbraw/zinc/39/98/30/560399830.db2.gz DGSHITHWLQKMDA-MNEFBYGVSA-N 1 0 371.481 2.271 20 30 FEEDRO C[N@H+](CCCCNC(=O)C(=O)Nc1ccc(CC#N)cc1Cl)C1CC1 ZINC000454093457 560428498 /nfs/dbraw/zinc/42/84/98/560428498.db2.gz DLEOQSZIJRYIBH-UHFFFAOYSA-N 1 0 362.861 2.335 20 30 FEEDRO C=CC(C)(C)CNC(=O)N1CCC[C@H](C[N@H+]2CCCN(C(C)=O)CC2)C1 ZINC000455391345 560480509 /nfs/dbraw/zinc/48/05/09/560480509.db2.gz XAJYHLBBYKRVKS-GOSISDBHSA-N 1 0 364.534 2.174 20 30 FEEDRO C[NH+]1CCN(c2ccc(CNC(=O)Nc3cccc(CC#N)c3)cn2)CC1 ZINC000455940030 560501199 /nfs/dbraw/zinc/50/11/99/560501199.db2.gz GCHBWWNEBQBFBH-UHFFFAOYSA-N 1 0 364.453 2.221 20 30 FEEDRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)C(C)(C)Cc1ccc(C#N)cc1 ZINC000456068885 560505939 /nfs/dbraw/zinc/50/59/39/560505939.db2.gz PDWPUWDPANMRPS-KRWDZBQOSA-N 1 0 356.514 2.269 20 30 FEEDRO Cc1cc(NC(=O)CNC(=O)c2ccc(C#N)cc2)ccc1C[NH+](C)C ZINC000458265253 560611979 /nfs/dbraw/zinc/61/19/79/560611979.db2.gz NSQZSGXPBWDMGN-UHFFFAOYSA-N 1 0 350.422 2.297 20 30 FEEDRO C=CCC[C@@H](CO)NC(=O)NCC1([NH+]2CCC(OC)CC2)CCCC1 ZINC000458363660 560617224 /nfs/dbraw/zinc/61/72/24/560617224.db2.gz SCZXUFXGQUXCIS-INIZCTEOSA-N 1 0 353.507 2.036 20 30 FEEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCC[N@@H+]1CCCOCC1 ZINC000458834054 560650898 /nfs/dbraw/zinc/65/08/98/560650898.db2.gz BVPKRIMMSVNZLD-UHFFFAOYSA-N 1 0 363.506 2.274 20 30 FEEDRO C=C(C)CN(CC)C(=O)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000459821145 560710726 /nfs/dbraw/zinc/71/07/26/560710726.db2.gz KKOJUODXGPCHAK-VQTJNVASSA-N 1 0 369.509 2.392 20 30 FEEDRO C=C(C)Cn1c(C(=O)NC(CC)CC)nnc1N1CCC[N@H+](CC)CC1 ZINC000460936247 560756282 /nfs/dbraw/zinc/75/62/82/560756282.db2.gz XFSODMRWDPUIRV-UHFFFAOYSA-N 1 0 362.522 2.305 20 30 FEEDRO N#C[C@H]1CCC[C@H]1NC(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000461957862 560789676 /nfs/dbraw/zinc/78/96/76/560789676.db2.gz LLCJFWBOONDNTH-WOJBJXKFSA-N 1 0 369.513 2.186 20 30 FEEDRO N#C[C@H]1CCC[C@@H]1NC(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000461957860 560789709 /nfs/dbraw/zinc/78/97/09/560789709.db2.gz LLCJFWBOONDNTH-UXHICEINSA-N 1 0 369.513 2.186 20 30 FEEDRO COc1cc[nH+]c(N2CCN(C(=O)[C@H](C)c3cccc(C#N)c3)CC2)c1 ZINC000462021582 560793133 /nfs/dbraw/zinc/79/31/33/560793133.db2.gz BJWYNKSXEMWRQY-OAHLLOKOSA-N 1 0 350.422 2.414 20 30 FEEDRO CN(CCOCc1ccc(C#N)cc1)C(=O)c1cc(CN2CCCC2)on1 ZINC000462473147 560811447 /nfs/dbraw/zinc/81/14/47/560811447.db2.gz NILFXTJYVVXWTH-UHFFFAOYSA-N 1 0 368.437 2.431 20 30 FEEDRO C=CCNC(=O)NC(=O)[C@H](C)[N@H+](C)CCc1cccc(Br)c1 ZINC000463417996 560813635 /nfs/dbraw/zinc/81/36/35/560813635.db2.gz RDXXOCLRISUSJB-LBPRGKRZSA-N 1 0 368.275 2.324 20 30 FEEDRO CCOCC[N@@H+]1CCN(C(=O)NCCc2cccc(C#N)c2)C[C@H]1CC ZINC000466822590 560896778 /nfs/dbraw/zinc/89/67/78/560896778.db2.gz NARUJYCQDFPEBG-LJQANCHMSA-N 1 0 358.486 2.243 20 30 FEEDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000468459038 560930364 /nfs/dbraw/zinc/93/03/64/560930364.db2.gz NIOKRZNCWRFYJF-OAHLLOKOSA-N 1 0 362.861 2.387 20 30 FEEDRO O=C(NCC(F)(F)F)[C@H]1CC[N@H+](CCOCC(F)(F)C(F)(F)F)C1 ZINC000469780336 560964565 /nfs/dbraw/zinc/96/45/65/560964565.db2.gz NOQFBVUTVVAEQM-QMMMGPOBSA-N 1 0 372.256 2.201 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)c1ncc(C(N)=O)cc1Cl ZINC000470508026 560983622 /nfs/dbraw/zinc/98/36/22/560983622.db2.gz SRXFMXAKOSUMQF-UHFFFAOYSA-N 1 0 357.845 2.274 20 30 FEEDRO C=CCN(CC=C)C(=O)C[N@H+](C)C[C@@H]1C[C@H](F)CN1Cc1nccs1 ZINC000470802740 560989845 /nfs/dbraw/zinc/98/98/45/560989845.db2.gz BNXRHJXPKUNUFT-HOTGVXAUSA-N 1 0 366.506 2.188 20 30 FEEDRO N#Cc1ccc([C@H](C(N)=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000471003900 560996235 /nfs/dbraw/zinc/99/62/35/560996235.db2.gz GNAPJQYKSAMDHG-QHAWAJNXSA-N 1 0 360.461 2.148 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCO[C@]2(CCO[C@@H]2C)C1)C(C)C ZINC000471600853 561008422 /nfs/dbraw/zinc/00/84/22/561008422.db2.gz DZCUCYREDTYJQN-QWFCFKBJSA-N 1 0 365.518 2.274 20 30 FEEDRO Cn1ncc(C(=O)Nc2cccc(N3CC[NH+](CC4CC4)CC3)c2)c1C#N ZINC000475171607 561092104 /nfs/dbraw/zinc/09/21/04/561092104.db2.gz QARYYISFXBQATD-UHFFFAOYSA-N 1 0 364.453 2.076 20 30 FEEDRO N#Cc1ccccc1N1CCN(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)CC1 ZINC000528283717 562320542 /nfs/dbraw/zinc/32/05/42/562320542.db2.gz CQEKKPUZAVHYDW-IBGZPJMESA-N 1 0 367.497 2.407 20 30 FEEDRO CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](C[C@@H](O)COc2ccccc2C#N)C1 ZINC000528366811 562325211 /nfs/dbraw/zinc/32/52/11/562325211.db2.gz PSKBGDXCWCJYBE-YTQUADARSA-N 1 0 373.497 2.315 20 30 FEEDRO O=C1c2ccccc2C(=O)N1CC#CC[N@@H+]1CC[C@H](Nc2ccccc2)C1 ZINC000528417084 562327972 /nfs/dbraw/zinc/32/79/72/562327972.db2.gz RUVIOPVZFKQUCI-SFHVURJKSA-N 1 0 359.429 2.472 20 30 FEEDRO N#CC1(C[C@@H](O)C[N@@H+]2CC[C@@H](Oc3cccnc3N3CCCC3)C2)CC1 ZINC000528502651 562332859 /nfs/dbraw/zinc/33/28/59/562332859.db2.gz JZSHEZPMCWWQLS-IAGOWNOFSA-N 1 0 356.470 2.190 20 30 FEEDRO O=C1c2ccccc2C(=O)N1CC#CC[N@@H+]1C[C@@H](O)C[C@@H]1c1ccccc1 ZINC000528525150 562334041 /nfs/dbraw/zinc/33/40/41/562334041.db2.gz MIGYJAWLYANDEA-FXAWDEMLSA-N 1 0 360.413 2.094 20 30 FEEDRO COc1cc(NC(=O)Cc2ccc(C#N)nc2)ccc1OCC[NH+](C)C ZINC000529498440 562375531 /nfs/dbraw/zinc/37/55/31/562375531.db2.gz WZYVSKAULVTQEP-UHFFFAOYSA-N 1 0 354.410 2.083 20 30 FEEDRO COc1cc(C#N)ccc1OCC(=O)NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000529719712 562382463 /nfs/dbraw/zinc/38/24/63/562382463.db2.gz OZHATUWEEWSBIH-KRWDZBQOSA-N 1 0 357.454 2.469 20 30 FEEDRO N#Cc1c(-n2cccn2)cccc1N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530175187 562401413 /nfs/dbraw/zinc/40/14/13/562401413.db2.gz FRNAREPKAIXTJY-QGZVFWFLSA-N 1 0 351.454 2.339 20 30 FEEDRO Cc1nn(C)c(N2CC[NH+](CCN3CCCc4ccccc43)CC2)c1C#N ZINC000530465785 562412241 /nfs/dbraw/zinc/41/22/41/562412241.db2.gz CSCRKTBHTOXXHC-UHFFFAOYSA-N 1 0 364.497 2.175 20 30 FEEDRO N#Cc1cccc(CC(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)c1 ZINC000530669845 562420042 /nfs/dbraw/zinc/42/00/42/562420042.db2.gz DYQGLCYDMLWAMD-UHFFFAOYSA-N 1 0 363.461 2.374 20 30 FEEDRO C[C@@H](SCC(=O)NC1(C#N)CC[NH+](C)CC1)c1nc2ccccc2[nH]1 ZINC000531074510 562433998 /nfs/dbraw/zinc/43/39/98/562433998.db2.gz ZDAYVXKMFBZFQI-CYBMUJFWSA-N 1 0 357.483 2.461 20 30 FEEDRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2Cl)C1 ZINC000531786325 562456547 /nfs/dbraw/zinc/45/65/47/562456547.db2.gz OKZUQYIAGDIJRG-HNNXBMFYSA-N 1 0 374.872 2.340 20 30 FEEDRO C[C@H]([NH2+]Cc1cnn([C@]2(C)CCS(=O)(=O)C2)c1)c1ccc(C#N)cc1 ZINC000532870221 562491123 /nfs/dbraw/zinc/49/11/23/562491123.db2.gz XYIWRWNEVOLYSC-KBXCAEBGSA-N 1 0 358.467 2.139 20 30 FEEDRO C[NH+]1CCN(c2ccc(NC(=O)C3(c4cccc(C#N)c4)CC3)nc2)CC1 ZINC000533402864 562507445 /nfs/dbraw/zinc/50/74/45/562507445.db2.gz CKMAESBDLIYGAK-UHFFFAOYSA-N 1 0 361.449 2.375 20 30 FEEDRO C=C(C)[C@H](CC(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1)OCC ZINC000533700027 562516470 /nfs/dbraw/zinc/51/64/70/562516470.db2.gz KMNMPKDSKKCJMU-KRWDZBQOSA-N 1 0 367.534 2.101 20 30 FEEDRO Cc1c(C#N)cccc1NC(=O)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C ZINC000535458687 562559078 /nfs/dbraw/zinc/55/90/78/562559078.db2.gz GBGDSWPOMVJJNX-KRWDZBQOSA-N 1 0 359.474 2.081 20 30 FEEDRO N#Cc1cccc(CC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2CO)c1 ZINC000535635237 562562982 /nfs/dbraw/zinc/56/29/82/562562982.db2.gz KHWCWOHMRFZKBG-NHCUHLMSSA-N 1 0 363.461 2.100 20 30 FEEDRO CN(C(=O)c1ccc(C#N)[nH]1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000535848692 562569578 /nfs/dbraw/zinc/56/95/78/562569578.db2.gz ACIGBYUFAFEGJN-RBUKOAKNSA-N 1 0 357.502 2.296 20 30 FEEDRO CN(C(=O)c1ccc(C#N)[nH]1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000535848694 562569611 /nfs/dbraw/zinc/56/96/11/562569611.db2.gz ACIGBYUFAFEGJN-RTBURBONSA-N 1 0 357.502 2.296 20 30 FEEDRO C[C@@H](C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)[NH+]1CCCCCC1 ZINC000540956592 562598340 /nfs/dbraw/zinc/59/83/40/562598340.db2.gz OIVMHGXPLILFES-QFBILLFUSA-N 1 0 368.481 2.434 20 30 FEEDRO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000540962539 562598693 /nfs/dbraw/zinc/59/86/93/562598693.db2.gz FBRPDYTVRIMQON-RVKKMQEKSA-N 1 0 354.454 2.043 20 30 FEEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+](C)CC2(O)CCC2)c1C#N ZINC000546092159 562633482 /nfs/dbraw/zinc/63/34/82/562633482.db2.gz FQWYNACVFJQJCQ-UHFFFAOYSA-N 1 0 370.453 2.403 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1CCS[C@H](C)CC1)C(C)C ZINC000556209900 674392163 /nfs/dbraw/zinc/39/21/63/674392163.db2.gz ZOFVLSKYPXLDIT-IAGOWNOFSA-N 1 0 367.559 2.155 20 30 FEEDRO C=CCCSCCNC(=O)c1ccc2[nH]c(=O)n(CC[NH+](C)C)c2c1 ZINC000602179049 567942595 /nfs/dbraw/zinc/94/25/95/567942595.db2.gz QRSJCRFQZJUASX-UHFFFAOYSA-N 1 0 362.499 2.343 20 30 FEEDRO Cc1ccccc1[C@H]([C@@H](C)NC(=O)N1CCN(CCC#N)CC1)[NH+](C)C ZINC000602312081 567965965 /nfs/dbraw/zinc/96/59/65/567965965.db2.gz PMYZOUIEFPJCFQ-MJGOQNOKSA-N 1 0 357.502 2.227 20 30 FEEDRO C=CC[C@@]1(C(=O)Nc2ccc(O[C@H](C)C(=O)OC)c(F)c2)CCC[NH2+]1 ZINC000602550783 567990741 /nfs/dbraw/zinc/99/07/41/567990741.db2.gz MYBWVDQIURJJAF-XIKOKIGWSA-N 1 0 350.390 2.403 20 30 FEEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000602557805 567991402 /nfs/dbraw/zinc/99/14/02/567991402.db2.gz JGANRLKZLFIOJJ-RXVVDRJESA-N 1 0 357.498 2.312 20 30 FEEDRO C[C@@H]1C[N@@H+](C[C@@H](O)COc2ccc3ccccc3c2)C[C@H](C)N1CC#N ZINC000602855367 568002272 /nfs/dbraw/zinc/00/22/72/568002272.db2.gz HKLIKQDWMOXYAB-FUHIMQAGSA-N 1 0 353.466 2.498 20 30 FEEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+][C@H]1CCN(C(=O)COc2ccccc2)C1 ZINC000602659728 568011872 /nfs/dbraw/zinc/01/18/72/568011872.db2.gz WCIGKYVOHIDRKP-MSOLQXFVSA-N 1 0 371.481 2.355 20 30 FEEDRO C[C@@H]1CN(C(=O)Nc2cccc(OCC[NH+](C)C)c2)C[C@H](C)N1CC#N ZINC000602794896 568034874 /nfs/dbraw/zinc/03/48/74/568034874.db2.gz DZUPJVOLYPTYCY-IYBDPMFKSA-N 1 0 359.474 2.077 20 30 FEEDRO CC1(C)[C@H](N2CCOCC2)C[C@@H]1NC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000603117828 568063668 /nfs/dbraw/zinc/06/36/68/568063668.db2.gz PMTZBQWCMNBCKF-ZWKOTPCHSA-N 1 0 353.466 2.471 20 30 FEEDRO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)n1cc(C2CC[NH2+]CC2)nn1 ZINC000603195030 568072497 /nfs/dbraw/zinc/07/24/97/568072497.db2.gz YDCVDRFRAOOIJJ-HVEKOLDVSA-N 1 0 358.490 2.237 20 30 FEEDRO N#CC1(CCCn2cc(COc3ccc(C[NH3+])cc3)nn2)CCOCC1 ZINC000603232270 568075558 /nfs/dbraw/zinc/07/55/58/568075558.db2.gz HTCGIANJLVJOLX-UHFFFAOYSA-N 1 0 355.442 2.416 20 30 FEEDRO Cc1nnc([C@H]2CC[N@H+](CCC(=O)Nc3sc4c(c3C#N)CCC4)C2)[nH]1 ZINC000568841725 568232277 /nfs/dbraw/zinc/23/22/77/568232277.db2.gz CNDOCZTVBBBBDM-LBPRGKRZSA-N 1 0 370.482 2.353 20 30 FEEDRO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)c2cnccc2C#N)cc1 ZINC000569403602 568400759 /nfs/dbraw/zinc/40/07/59/568400759.db2.gz LDKMBMARGFUUKI-UHFFFAOYSA-N 1 0 365.437 2.277 20 30 FEEDRO CC(C)[N@H+](C)C[C@H](O)COc1cc(C#N)ccc1I ZINC000569743566 568417993 /nfs/dbraw/zinc/41/79/93/568417993.db2.gz ADQOYYNJIPRKEC-LBPRGKRZSA-N 1 0 374.222 2.243 20 30 FEEDRO COc1cc(C#N)ccc1OCC[NH2+][C@@H]1CCC[C@@H]2CN(C(C)=O)C[C@H]21 ZINC000570242927 568465580 /nfs/dbraw/zinc/46/55/80/568465580.db2.gz BANJWDCMACDFDQ-KZNAEPCWSA-N 1 0 357.454 2.182 20 30 FEEDRO C=CCN(C)c1nnc([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)n1Cc1ccccc1 ZINC000669198895 568565309 /nfs/dbraw/zinc/56/53/09/568565309.db2.gz KOHMNSBKDHWMPY-MSOLQXFVSA-N 1 0 353.470 2.484 20 30 FEEDRO N#Cc1ccc([C@@H](C(=O)[O-])[NH+]2CCC(CC[NH+]3CCOCC3)CC2)cc1 ZINC000739103897 600566602 /nfs/dbraw/zinc/56/66/02/600566602.db2.gz DGNZKILDFVRNKY-IBGZPJMESA-N 1 0 357.454 2.118 20 30 FEEDRO Cc1oc(NC(=O)C[NH2+][C@@H](C)c2ccc(C#N)cc2)c(-c2nn[nH]n2)c1C ZINC000826341479 608464518 /nfs/dbraw/zinc/46/45/18/608464518.db2.gz ITPJPEDIZGOARP-NSHDSACASA-N 1 0 365.397 2.238 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N(C)Cc2ccc(F)c(Cl)c2)CC1 ZINC000561414202 674663985 /nfs/dbraw/zinc/66/39/85/674663985.db2.gz RAWYPPXSLAAWKN-UHFFFAOYSA-N 1 0 367.852 2.204 20 30 FEEDRO N#C[C@H](c1cccc(Cl)c1)N1CC[NH+](C[C@H]2CCNC(=O)CC2)CC1 ZINC000562542255 674767286 /nfs/dbraw/zinc/76/72/86/674767286.db2.gz HFGOHNMIQKWDBN-CRAIPNDOSA-N 1 0 360.889 2.439 20 30 FEEDRO C[NH+](C)[C@@H](CNC(=O)C(=O)NCC(C)(C)CC#N)c1ccc(Cl)cc1 ZINC000562953147 674826668 /nfs/dbraw/zinc/82/66/68/674826668.db2.gz RZDPEQFPXGVCHQ-HNNXBMFYSA-N 1 0 364.877 2.115 20 30 FEEDRO CN(CCC#N)C[C@H](O)C[NH2+][C@H]1CCCc2cc(OC(F)F)ccc21 ZINC000562986626 674831282 /nfs/dbraw/zinc/83/12/82/674831282.db2.gz HOIRQTMWKMBMOW-PBHICJAKSA-N 1 0 353.413 2.461 20 30 FEEDRO Cc1cc(Br)cc(C=NNC(=S)NCCC[NH+](C)C)c1O ZINC000814845919 674883719 /nfs/dbraw/zinc/88/37/19/674883719.db2.gz YWTBILYKOWPILF-UHFFFAOYSA-N 1 0 373.320 2.213 20 30 FEEDRO C#CCNC(=O)CC[N@@H+](Cc1ccc(OC(F)F)c(OC)c1)C1CC1 ZINC000815010886 674895305 /nfs/dbraw/zinc/89/53/05/674895305.db2.gz RJSGENRGLYHWKI-UHFFFAOYSA-N 1 0 352.381 2.401 20 30 FEEDRO C#CCNC(=O)CC[N@@H+](CCOC)Cc1cc(Br)cs1 ZINC000815102313 674918528 /nfs/dbraw/zinc/91/85/28/674918528.db2.gz HKTAPYIUNRZNJV-UHFFFAOYSA-N 1 0 359.289 2.099 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@H]1C[N@H+](CCCC2CCC2)C[C@@H]1O ZINC001047561773 674960720 /nfs/dbraw/zinc/96/07/20/674960720.db2.gz UPFZPECAOBJBIO-VJANTYMQSA-N 1 0 350.503 2.051 20 30 FEEDRO C=CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)C1 ZINC001047634919 674962267 /nfs/dbraw/zinc/96/22/67/674962267.db2.gz OFXVOPMDRIYMDI-FSDCSDTHSA-N 1 0 350.409 2.148 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H](C)COC ZINC001048573747 675010889 /nfs/dbraw/zinc/01/08/89/675010889.db2.gz FOFIQRFMKTVRPP-XEZGLNCPSA-N 1 0 350.503 2.362 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CC3CC(F)(F)C3)C[C@@H]2C1 ZINC001048826999 675015846 /nfs/dbraw/zinc/01/58/46/675015846.db2.gz QUQPGGDQWNFHLS-TWMKSMIVSA-N 1 0 354.441 2.403 20 30 FEEDRO CC[C@@H](CC#N)[NH2+]C[C@H]1CCCN(C(=O)CNC(=O)OC(C)(C)C)C1 ZINC000816570587 675065755 /nfs/dbraw/zinc/06/57/55/675065755.db2.gz ZLVWIJSFSZAKER-CABCVRRESA-N 1 0 352.479 2.032 20 30 FEEDRO CNC(=S)C(C(=O)c1ccc([N+](=O)[O-])cc1)[n+]1ccc(N(C)C)cc1 ZINC000022733692 670043305 /nfs/dbraw/zinc/04/33/05/670043305.db2.gz QIXAJOYUZSMKEX-UHFFFAOYSA-O 1 0 359.431 2.107 20 30 FEEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCCN1CCCC1=O ZINC000078751607 670593353 /nfs/dbraw/zinc/59/33/53/670593353.db2.gz TZXSUQRTTODSEX-UHFFFAOYSA-N 1 0 363.531 2.207 20 30 FEEDRO Cn1ccnc1[C@@](O)(CC[NH2+]Cc1ccc(C#N)c(F)c1)C(F)(F)F ZINC000817408827 675129977 /nfs/dbraw/zinc/12/99/77/675129977.db2.gz PZHTYDFPTHMYKQ-HNNXBMFYSA-N 1 0 356.323 2.361 20 30 FEEDRO CCS(=O)(=O)N(C)C1CC[NH+](Cc2ccc(O[C@H](C)C#N)cc2)CC1 ZINC000093320981 670750908 /nfs/dbraw/zinc/75/09/08/670750908.db2.gz RZXNPXJJDQIOTO-OAHLLOKOSA-N 1 0 365.499 2.223 20 30 FEEDRO Cc1nsc(N2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)c1C#N ZINC000570834071 670775578 /nfs/dbraw/zinc/77/55/78/670775578.db2.gz JKPHJYKYZGZMGD-UHFFFAOYSA-N 1 0 363.531 2.244 20 30 FEEDRO COCC[NH+](CCOC)C1CCN(C(=O)C2(C#N)CCCCC2)CC1 ZINC000572146290 670966905 /nfs/dbraw/zinc/96/69/05/670966905.db2.gz KYGGHGYCDXQAPN-UHFFFAOYSA-N 1 0 351.491 2.046 20 30 FEEDRO C[C@H](Cc1ccc(F)c(Br)c1)[NH2+]C[C@@H](O)CN(C)CCC#N ZINC000566117309 675182758 /nfs/dbraw/zinc/18/27/58/675182758.db2.gz UEIAGUPKPBFZMT-TZMCWYRMSA-N 1 0 372.282 2.315 20 30 FEEDRO N#Cc1ccc(OC[C@@H](O)C[NH2+]C2CCN(c3nccs3)CC2)cc1 ZINC000575982130 671335443 /nfs/dbraw/zinc/33/54/43/671335443.db2.gz HLRXWGXZHXQFHL-INIZCTEOSA-N 1 0 358.467 2.013 20 30 FEEDRO CC[NH+](CC)CCN(CCOC)C(=O)NCc1ccc(C#N)cc1F ZINC000609254510 675915717 /nfs/dbraw/zinc/91/57/17/675915717.db2.gz QEMKPUYTJONOGR-UHFFFAOYSA-N 1 0 350.438 2.197 20 30 FEEDRO CC(C)[NH2+]CCCNC(=O)C(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000577473314 671598249 /nfs/dbraw/zinc/59/82/49/671598249.db2.gz YDCCZZNFFDTBSE-CQSZACIVSA-N 1 0 362.499 2.381 20 30 FEEDRO N#Cc1cc2c(nc1NCC1([NH+]3CCSCC3)CCCC1)CCOC2 ZINC000578834452 671692271 /nfs/dbraw/zinc/69/22/71/671692271.db2.gz JPZMFJKZNWRSKO-UHFFFAOYSA-N 1 0 358.511 2.799 20 30 FEEDRO C=CCNS(=O)(=O)c1cc(-c2nc([C@@H]([NH3+])CC(C)C)no2)ccc1F ZINC000579353259 671729865 /nfs/dbraw/zinc/72/98/65/671729865.db2.gz WKWAISDJRURQRB-ZDUSSCGKSA-N 1 0 368.434 2.386 20 30 FEEDRO Cn1cc([C@@H]2CN(C(=O)Nc3ccc(CC#N)cc3Cl)C[C@H]2[NH3+])cn1 ZINC000579943439 671771774 /nfs/dbraw/zinc/77/17/74/671771774.db2.gz KJBZLYIWBYKSBP-DZGCQCFKSA-N 1 0 358.833 2.098 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1cccc(N2CCCS2(=O)=O)c1 ZINC000581067382 671860367 /nfs/dbraw/zinc/86/03/67/671860367.db2.gz IJMKUMWLFUJSJH-HFTRVMKXSA-N 1 0 350.484 2.468 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]CC(=O)Nc1cc2c(cc1Cl)OCCCO2 ZINC000581767728 671935929 /nfs/dbraw/zinc/93/59/29/671935929.db2.gz WBHXXHMDIVRQBF-OCCSQVGLSA-N 1 0 352.818 2.373 20 30 FEEDRO CC[NH+](CC)CC#C[C@@H](C)OC(=O)[C@@H]1CSCN1C(=O)C(C)(C)C ZINC000121392623 671947992 /nfs/dbraw/zinc/94/79/92/671947992.db2.gz WUSFGAXIDJPFAO-CABCVRRESA-N 1 0 354.516 2.211 20 30 FEEDRO N#Cc1ccc(OC[C@H](O)C[NH2+]CCc2nc3c(s2)CCCC3)cc1 ZINC000582600739 672017285 /nfs/dbraw/zinc/01/72/85/672017285.db2.gz AFXSIJICHJYKGW-OAHLLOKOSA-N 1 0 357.479 2.466 20 30 FEEDRO C#CCC[NH+]1CCN(Cc2cc3c(cc2Br)OCCO3)CC1 ZINC000127306564 672035151 /nfs/dbraw/zinc/03/51/51/672035151.db2.gz KMFYWORDAHHVDT-UHFFFAOYSA-N 1 0 365.271 2.361 20 30 FEEDRO C=C(Br)CNC(=[NH+]CC)N1CCN([C@H](C)C(F)(F)F)CC1 ZINC000128218104 672046482 /nfs/dbraw/zinc/04/64/82/672046482.db2.gz XMURCJJLZCLHBY-LLVKDONJSA-N 1 0 371.245 2.429 20 30 FEEDRO N#Cc1cncc(S(=O)(=O)NC[C@@H]2CCC[N@@H+]2CC2CCCCC2)c1 ZINC000583662663 672115111 /nfs/dbraw/zinc/11/51/11/672115111.db2.gz ORLOOSORGVCVAH-KRWDZBQOSA-N 1 0 362.499 2.276 20 30 FEEDRO CCc1cccc(CC)c1NC(=[NH2+])NC[C@@H]1CCC[C@H]1NS(C)(=O)=O ZINC000134112035 672119944 /nfs/dbraw/zinc/11/99/44/672119944.db2.gz GWLYXINLHVOWOG-JKSUJKDBSA-N 1 0 366.531 2.256 20 30 FEEDRO CCc1cccc(NC(=[NH2+])NCCN(C)S(=O)(=O)c2cccs2)c1 ZINC000151407229 672162352 /nfs/dbraw/zinc/16/23/52/672162352.db2.gz GKXFZFOMSJKBDV-UHFFFAOYSA-N 1 0 366.512 2.358 20 30 FEEDRO C#CCSCCNC(=O)N1CCC[N@@H+](Cc2ccc(OC)cc2)CC1 ZINC000154864922 672223049 /nfs/dbraw/zinc/22/30/49/672223049.db2.gz OBSYBDNFEZWSRA-UHFFFAOYSA-N 1 0 361.511 2.279 20 30 FEEDRO CC[NH+]=C(NCCOc1ccc(Cl)cn1)N1CC[C@@]2(CCOC2)C1 ZINC000157970428 672264509 /nfs/dbraw/zinc/26/45/09/672264509.db2.gz PZKLHSANZSUYDV-QGZVFWFLSA-N 1 0 352.866 2.192 20 30 FEEDRO CCOC(=O)N1CCC(NC(=[NH2+])NCCO[C@H]2CCCC[C@@H]2C)CC1 ZINC000170904191 672326943 /nfs/dbraw/zinc/32/69/43/672326943.db2.gz SVWNQNWJGLTPCG-HOCLYGCPSA-N 1 0 354.495 2.107 20 30 FEEDRO CC[C@@H](C)NC(=[NH2+])NCc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000171043036 672328735 /nfs/dbraw/zinc/32/87/35/672328735.db2.gz JWOXDSVGZZXGJH-SECBINFHSA-N 1 0 351.252 2.437 20 30 FEEDRO C=CCn1c(C)nn(CN2CCC(OCC[NH+]3CCCC3)CC2)c1=S ZINC000174102953 672357887 /nfs/dbraw/zinc/35/78/87/672357887.db2.gz CGUZEYFKODIULH-UHFFFAOYSA-N 1 0 365.547 2.443 20 30 FEEDRO C[NH+]=C(NCC1CCOCC1)N1CCC(OC[C@H]2CCCCO2)CC1 ZINC000179133237 672399068 /nfs/dbraw/zinc/39/90/68/672399068.db2.gz SCWGYBHXTXQOTL-GOSISDBHSA-N 1 0 353.507 2.039 20 30 FEEDRO C[C@H]1C[NH+](CCC(=O)N(C)CCC#N)C[C@H](C)N1C(=O)OC(C)(C)C ZINC000181569667 672428172 /nfs/dbraw/zinc/42/81/72/672428172.db2.gz HMLALIHZKQILRR-GJZGRUSLSA-N 1 0 352.479 2.078 20 30 FEEDRO COC(=O)C(C)(C)[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000611320351 676032057 /nfs/dbraw/zinc/03/20/57/676032057.db2.gz HABZGKHUZSHOEM-QMTMVMCOSA-N 1 0 351.491 2.341 20 30 FEEDRO N#Cc1ccc(CNC(=O)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)cc1Cl ZINC000591358312 672676004 /nfs/dbraw/zinc/67/60/04/672676004.db2.gz ZXIHXFSZPTVRQL-SJORKVTESA-N 1 0 362.861 2.249 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+]CCOc2ccccc2Cl)nc1 ZINC000591757070 672708460 /nfs/dbraw/zinc/70/84/60/672708460.db2.gz WWRHCZBZEUMADP-UHFFFAOYSA-N 1 0 365.842 2.049 20 30 FEEDRO C=CCNC(=O)NC(=O)C[N@@H+](CCCC)[C@@H]1CCc2ncsc2C1 ZINC000592188381 672769408 /nfs/dbraw/zinc/76/94/08/672769408.db2.gz OIWHOJLXCKWGCZ-CYBMUJFWSA-N 1 0 350.488 2.114 20 30 FEEDRO N#Cc1cc(Br)ccc1N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000611925868 676060459 /nfs/dbraw/zinc/06/04/59/676060459.db2.gz KVGDBUDPHMRWIE-CVEARBPZSA-N 1 0 350.260 2.356 20 30 FEEDRO N#Cc1cc(S(=O)(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)ccc1Cl ZINC000592376048 672793976 /nfs/dbraw/zinc/79/39/76/672793976.db2.gz XKXNESDMRCJREY-MLGOLLRUSA-N 1 0 353.875 2.364 20 30 FEEDRO CC[C@@]1([NH2+]CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CCOC1 ZINC000683045623 672809769 /nfs/dbraw/zinc/80/97/69/672809769.db2.gz ZNZRDLXKOJMKMM-QGZVFWFLSA-N 1 0 354.372 2.332 20 30 FEEDRO CN(C(=O)Cc1ccc(Br)cc1C#N)[C@@H]1CCC[N@H+](C)C1 ZINC000593070465 672871774 /nfs/dbraw/zinc/87/17/74/672871774.db2.gz QJFKEVMYCYPFJZ-OAHLLOKOSA-N 1 0 350.260 2.416 20 30 FEEDRO C[NH+]=C(NCC1(CS(C)(=O)=O)CC1)N1CCSC2(CCCCC2)C1 ZINC000261717411 672902248 /nfs/dbraw/zinc/90/22/48/672902248.db2.gz IBAGYYDZEPDSEU-UHFFFAOYSA-N 1 0 373.588 2.138 20 30 FEEDRO C[NH+]=C(NCCc1ccccn1)N(C)Cc1cc(Br)cn1C ZINC000261830676 672904045 /nfs/dbraw/zinc/90/40/45/672904045.db2.gz VKGZVQCLOUPMSX-UHFFFAOYSA-N 1 0 364.291 2.433 20 30 FEEDRO C[NH+]=C(NCC1(O)CCCC1)N[C@H]1CCN(c2cccc(Cl)c2)C1 ZINC000261855384 672904429 /nfs/dbraw/zinc/90/44/29/672904429.db2.gz XTULIPSZOGIKBX-HNNXBMFYSA-N 1 0 350.894 2.389 20 30 FEEDRO C[NH+]=C(NCc1cccc2ccccc21)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261959853 672906026 /nfs/dbraw/zinc/90/60/26/672906026.db2.gz JVCCQWFDNWBWAG-UHFFFAOYSA-N 1 0 359.495 2.424 20 30 FEEDRO CC(C)[C@H]1CN(C(NCc2cccs2)=[NH+]CC(=O)N(C)C)CCS1 ZINC000262288687 672912695 /nfs/dbraw/zinc/91/26/95/672912695.db2.gz KTSWRLUYSXOFLY-OAHLLOKOSA-N 1 0 368.572 2.355 20 30 FEEDRO C=C(C)CNC(=[NH+]C[C@@H]1CCS(=O)(=O)C1)N1CCC[C@@H](C(C)C)C1 ZINC000262363191 672914415 /nfs/dbraw/zinc/91/44/15/672914415.db2.gz HFQJCQCBMJUNKY-DLBZAZTESA-N 1 0 355.548 2.311 20 30 FEEDRO C[NH+]=C(NC[C@]1(O)CCSC1)N(C)Cc1ccccc1Br ZINC000262445422 672915895 /nfs/dbraw/zinc/91/58/95/672915895.db2.gz VFDKPQBHDNOZIZ-OAHLLOKOSA-N 1 0 372.332 2.324 20 30 FEEDRO CC(C)C[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N1CCC[C@@H](C(C)C)C1 ZINC000262445498 672915985 /nfs/dbraw/zinc/91/59/85/672915985.db2.gz VGOKXMHGGOGHMZ-DLBZAZTESA-N 1 0 357.564 2.391 20 30 FEEDRO CC[N@@H+]1CCN(C(=O)Cc2ccc(Br)cc2C#N)[C@H](C)C1 ZINC000593699035 672980336 /nfs/dbraw/zinc/98/03/36/672980336.db2.gz XEFPRCVAPHMWDF-GFCCVEGCSA-N 1 0 350.260 2.416 20 30 FEEDRO [NH2+]=C(NC[C@H](c1ccc(Cl)cc1)N1CCOCC1)NCC1CCC1 ZINC000303975267 673018869 /nfs/dbraw/zinc/01/88/69/673018869.db2.gz IZRZPKXDWPZGRI-QGZVFWFLSA-N 1 0 350.894 2.418 20 30 FEEDRO [NH2+]=C(NCCNC(=O)c1cccc(Br)c1)N1CCCCCC1 ZINC000305068763 673021169 /nfs/dbraw/zinc/02/11/69/673021169.db2.gz NWJZJCGSHSWREW-UHFFFAOYSA-N 1 0 367.291 2.370 20 30 FEEDRO N#CCCCC[C@@H]([NH3+])C(=O)N1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000594427857 673070895 /nfs/dbraw/zinc/07/08/95/673070895.db2.gz KMOMPYPSWYOMQN-MRXNPFEDSA-N 1 0 362.861 2.036 20 30 FEEDRO N#CCCCC[C@H]([NH3+])C(=O)NCCNc1cccc(Br)c1 ZINC000594443563 673072272 /nfs/dbraw/zinc/07/22/72/673072272.db2.gz RMZGDMKCUFJLHZ-AWEZNQCLSA-N 1 0 353.264 2.388 20 30 FEEDRO O=C(NCC1([NH+]2CCCC2)CCOCC1)N1CCC2(C1)CCOCC2 ZINC000329781500 673083188 /nfs/dbraw/zinc/08/31/88/673083188.db2.gz STVURRXJGYZYQH-UHFFFAOYSA-N 1 0 351.491 2.048 20 30 FEEDRO CC(C)(C#N)c1ccc(C[NH2+][C@@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)cc1 ZINC000594500111 673094222 /nfs/dbraw/zinc/09/42/22/673094222.db2.gz KZKWRDNZVLHURW-MJGOQNOKSA-N 1 0 362.495 2.314 20 30 FEEDRO N#CC1(c2ccc(C[NH2+]C3CCN(S(=O)(=O)C4CC4)CC3)cc2)CC1 ZINC000594932804 673179025 /nfs/dbraw/zinc/17/90/25/673179025.db2.gz UQHNQZQUVAUOSM-UHFFFAOYSA-N 1 0 359.495 2.288 20 30 FEEDRO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000595109576 673194694 /nfs/dbraw/zinc/19/46/94/673194694.db2.gz XZILWODKLKATQT-QGZVFWFLSA-N 1 0 361.492 2.456 20 30 FEEDRO CC(C)[C@H]([NH3+])CCNC(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 ZINC000595230939 673211985 /nfs/dbraw/zinc/21/19/85/673211985.db2.gz ILQYMKSZELOFNM-CQSZACIVSA-N 1 0 360.849 2.892 20 30 FEEDRO CCC[N@@H+]1CC[C@H](NS(=O)(=O)c2cc(Br)ccc2C#N)C1 ZINC000595356916 673232023 /nfs/dbraw/zinc/23/20/23/673232023.db2.gz VMRBLHXTHRNHSC-ZDUSSCGKSA-N 1 0 372.288 2.083 20 30 FEEDRO N#CCN1CCC([NH2+]Cc2ccccc2I)CC1 ZINC000730578803 673284689 /nfs/dbraw/zinc/28/46/89/673284689.db2.gz PMBVOQSBBRNNFR-UHFFFAOYSA-N 1 0 355.223 2.369 20 30 FEEDRO COC(=O)C1CC[NH+](CCCNC(=O)c2ccc(Cl)c(C#N)c2)CC1 ZINC000537569480 673394792 /nfs/dbraw/zinc/39/47/92/673394792.db2.gz POLDTFDQTSXCOW-UHFFFAOYSA-N 1 0 363.845 2.217 20 30 FEEDRO C=CCCSCCNC(=O)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000596721633 673407270 /nfs/dbraw/zinc/40/72/70/673407270.db2.gz LVDVVUQYTGYQLS-LJQANCHMSA-N 1 0 363.527 2.232 20 30 FEEDRO C=CCC[C@H]([NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000537969901 673415852 /nfs/dbraw/zinc/41/58/52/673415852.db2.gz XECRZPJMKXCAII-AWEZNQCLSA-N 1 0 353.444 2.208 20 30 FEEDRO CCS(=O)(=O)C=C(C)NNc1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000733746691 673436588 /nfs/dbraw/zinc/43/65/88/673436588.db2.gz ABOPLUXGXMNMRC-UHFFFAOYSA-N 1 0 358.427 2.038 20 30 FEEDRO CC(C)(CCC#N)C[NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000538612649 673448316 /nfs/dbraw/zinc/44/83/16/673448316.db2.gz SBYJSPWAQRZVIP-UHFFFAOYSA-N 1 0 371.528 2.189 20 30 FEEDRO CCOCCC[N@@H+]1CCC(=NNC(=S)NCC(F)(F)F)[C@H](C)C1 ZINC000735229698 673486911 /nfs/dbraw/zinc/48/69/11/673486911.db2.gz OCDXCBWVKZUVTQ-LLVKDONJSA-N 1 0 354.442 2.137 20 30 FEEDRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)Cc1ccc(Br)cc1C#N ZINC000597698172 673500212 /nfs/dbraw/zinc/50/02/12/673500212.db2.gz GPQHJFMTUWKFJN-IAQYHMDHSA-N 1 0 350.260 2.414 20 30 FEEDRO N#Cc1cnc(C(=O)NCC2CC[NH+](C3CCOCC3)CC2)c(Cl)c1 ZINC000597872931 673515033 /nfs/dbraw/zinc/51/50/33/673515033.db2.gz DNWWRTYAYWZXQI-UHFFFAOYSA-N 1 0 362.861 2.227 20 30 FEEDRO CN(CCC(=O)N1CCN(c2ccsc2C#N)CC1)c1cc[nH+]cc1 ZINC000597935786 673520659 /nfs/dbraw/zinc/52/06/59/673520659.db2.gz GGARNPQWNIISML-UHFFFAOYSA-N 1 0 355.467 2.190 20 30 FEEDRO CC(C)(C#N)C[C@@H](O)C[NH2+]CCN1CCN(c2cccc(Cl)c2)CC1 ZINC000598727280 673603716 /nfs/dbraw/zinc/60/37/16/673603716.db2.gz WEWLUQGYGKGZPR-GOSISDBHSA-N 1 0 364.921 2.352 20 30 FEEDRO Cc1ccc(C#N)cc1S(=O)(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000599104749 673633515 /nfs/dbraw/zinc/63/35/15/673633515.db2.gz XFFJAGLMYVXDOY-QWHCGFSZSA-N 1 0 361.389 2.015 20 30 FEEDRO C=CC[C@H]1CC[N@H+](CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)C1 ZINC000599530123 673688488 /nfs/dbraw/zinc/68/84/88/673688488.db2.gz UERLQVHDOPWLST-DLBZAZTESA-N 1 0 358.511 2.355 20 30 FEEDRO C=CCNC(=O)NC(=O)C[NH2+][C@H](CCO)c1cc(Cl)cc(Cl)c1 ZINC000599664630 673703820 /nfs/dbraw/zinc/70/38/20/673703820.db2.gz DTONIQQPWBMZAP-CYBMUJFWSA-N 1 0 360.241 2.018 20 30 FEEDRO C[NH+](C)CC1(NS(=O)(=O)c2cc(Br)cc(C#N)c2)CCC1 ZINC000544866948 673737892 /nfs/dbraw/zinc/73/78/92/673737892.db2.gz XRWDPGQLEBOYGE-UHFFFAOYSA-N 1 0 372.288 2.083 20 30 FEEDRO CC(C)(C)OC(=O)C1(C[NH2+]C[C@H](O)CC2(C#N)CCOCC2)CCC1 ZINC000600742527 673795916 /nfs/dbraw/zinc/79/59/16/673795916.db2.gz DJTSGTSMFJSPTR-OAHLLOKOSA-N 1 0 352.475 2.159 20 30 FEEDRO N#CC1(C[C@H](O)C[NH2+]CCCS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000600740412 673795930 /nfs/dbraw/zinc/79/59/30/673795930.db2.gz VCFPNHCUHMMLHG-AWEZNQCLSA-N 1 0 356.875 2.148 20 30 FEEDRO C[C@@H]1[C@H]([NH+](C)C)CCN1S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000601422576 673860082 /nfs/dbraw/zinc/86/00/82/673860082.db2.gz SWPIZEYKFQXVBI-QMTHXVAHSA-N 1 0 361.389 2.290 20 30 FEEDRO CO[C@]1(C(F)(F)F)CCC[N@H+](C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000614924986 676196808 /nfs/dbraw/zinc/19/68/08/676196808.db2.gz QPFUFKJFVHIKKO-GDBMZVCRSA-N 1 0 358.360 2.341 20 30 FEEDRO C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000602539566 673907726 /nfs/dbraw/zinc/90/77/26/673907726.db2.gz IZIZTLAGYSZEKC-CORIIIEPSA-N 1 0 355.360 2.311 20 30 FEEDRO C[N@H+](CCCNc1ccc(C#N)cc1CS(N)(=O)=O)C1CCCCC1 ZINC000603272431 673920452 /nfs/dbraw/zinc/92/04/52/673920452.db2.gz MGIBZAVPXOPEPQ-UHFFFAOYSA-N 1 0 364.515 2.413 20 30 FEEDRO Cc1ncc(S(=O)(=O)N2CCCC[C@@H]2[C@@H](C)C[NH+](C)C)cc1C#N ZINC000603390454 673929017 /nfs/dbraw/zinc/92/90/17/673929017.db2.gz KCOKGFHSIJIABU-SUMWQHHRSA-N 1 0 350.488 2.003 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)c1cnc2ncc(Br)cc2c1 ZINC000818593414 675226918 /nfs/dbraw/zinc/22/69/18/675226918.db2.gz YNZFYNDECFQHSN-UHFFFAOYSA-N 1 0 361.243 2.077 20 30 FEEDRO C#CC[N@@H+](C)CCCNC(=O)[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000818599330 675227563 /nfs/dbraw/zinc/22/75/63/675227563.db2.gz KCCVABDVBZXQDG-HOTGVXAUSA-N 1 0 351.491 2.093 20 30 FEEDRO C#CC[N@@H+](C)CCCNC(=O)CCC(=O)c1ccc(OC)cc1Cl ZINC000818612253 675228441 /nfs/dbraw/zinc/22/84/41/675228441.db2.gz QCMSDMKMCBAECB-UHFFFAOYSA-N 1 0 350.846 2.383 20 30 FEEDRO Cc1cc(N(C)C)ccc1C[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000819078743 675258823 /nfs/dbraw/zinc/25/88/23/675258823.db2.gz YMRNCAJXSHUFMG-UHFFFAOYSA-N 1 0 357.479 2.496 20 30 FEEDRO CC[C@H](CS(=O)(=O)c1ccccc1)[NH2+]C[C@@H](O)c1ccc(C#N)cc1 ZINC000819187698 675267942 /nfs/dbraw/zinc/26/79/42/675267942.db2.gz QFCGSWDQWXEUEE-IEBWSBKVSA-N 1 0 358.463 2.434 20 30 FEEDRO C=CC[C@@H](CO)CNC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC000567298662 675282321 /nfs/dbraw/zinc/28/23/21/675282321.db2.gz KUFQYHZKGNQIIR-IAGOWNOFSA-N 1 0 352.425 2.445 20 30 FEEDRO C[C@@H]1CC[N@H+](CCNC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)C1 ZINC000819342185 675283145 /nfs/dbraw/zinc/28/31/45/675283145.db2.gz PCDNUTDCGTYPNG-CABCVRRESA-N 1 0 352.479 2.032 20 30 FEEDRO CC[N@@H+]1CCN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)C[C@H]1C ZINC000819429622 675289918 /nfs/dbraw/zinc/28/99/18/675289918.db2.gz XGLWBVKOESOBSQ-CABCVRRESA-N 1 0 352.479 2.126 20 30 FEEDRO C#C[C@@H](NC(=O)NCCN(C)CCC[NH+](C)C)c1ccc(Cl)cc1 ZINC000820552654 675369621 /nfs/dbraw/zinc/36/96/21/675369621.db2.gz KVPUGKRXGLQHJP-QGZVFWFLSA-N 1 0 350.894 2.197 20 30 FEEDRO CCCCCCC[C@]1(C)NC(=O)N(NC(=O)C[C@@H]2CC[N@H+](C)C2)C1=O ZINC000822582941 675493111 /nfs/dbraw/zinc/49/31/11/675493111.db2.gz IRAXALLOSSSCNA-KSSFIOAISA-N 1 0 352.479 2.030 20 30 FEEDRO CCCN(C(=O)OC(C)(C)C)[C@H](C)C(=O)NC1(C#N)CC[NH+](C)CC1 ZINC000823157210 675533028 /nfs/dbraw/zinc/53/30/28/675533028.db2.gz QAWZPQIPQJDPIZ-CQSZACIVSA-N 1 0 352.479 2.126 20 30 FEEDRO O=C(NCC[NH2+][C@H]1CCc2cc(F)c(F)c(F)c21)C1N=CC=CC1=O ZINC000823860940 675574909 /nfs/dbraw/zinc/57/49/09/675574909.db2.gz PZCFFBCPVPGHIS-WHBPPDGWSA-N 1 0 351.328 2.207 20 30 FEEDRO O=C(C#Cc1cccs1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000827919546 675787008 /nfs/dbraw/zinc/78/70/08/675787008.db2.gz KTDDUQHJSLHZKB-PKOBYXMFSA-N 1 0 354.475 2.099 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)[C@H](CC)N(C)C(=O)OC(C)(C)C)CC1 ZINC000828471514 675822377 /nfs/dbraw/zinc/82/23/77/675822377.db2.gz DJUZLMGBKGVPGR-INIZCTEOSA-N 1 0 351.491 2.236 20 30 FEEDRO COCC#CC[N@H+](CCC(=O)OC)Cc1cccc(Br)c1 ZINC000616795023 676257294 /nfs/dbraw/zinc/25/72/94/676257294.db2.gz MIGDMMCUSAABSS-UHFFFAOYSA-N 1 0 354.244 2.464 20 30 FEEDRO C=CCOc1c(Cl)cc(C[NH2+]CCNC(=O)c2ccn[nH]2)cc1OC ZINC000623487494 676537382 /nfs/dbraw/zinc/53/73/82/676537382.db2.gz DZSSFOLUBMZGJY-UHFFFAOYSA-N 1 0 364.833 2.156 20 30 FEEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000627477791 676756106 /nfs/dbraw/zinc/75/61/06/676756106.db2.gz BNLBIDVWFSIILJ-NWDGAFQWSA-N 1 0 355.891 2.173 20 30 FEEDRO C=CCOc1c(Cl)cc(CN2CC[N@H+](CCO)C[C@H]2C)cc1OC ZINC000628304352 676797488 /nfs/dbraw/zinc/79/74/88/676797488.db2.gz RTCOPQNRHWFEKR-CQSZACIVSA-N 1 0 354.878 2.412 20 30 FEEDRO CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)C#Cc1cccs1 ZINC000830069084 677023703 /nfs/dbraw/zinc/02/37/03/677023703.db2.gz IGZWCVQRZOEKMM-HXUWFJFHSA-N 1 0 354.475 2.195 20 30 FEEDRO C=CCONC(=O)N[C@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1 ZINC000838703727 680713877 /nfs/dbraw/zinc/71/38/77/680713877.db2.gz OWONLWPEBDDMAT-CQSZACIVSA-N 1 0 350.438 2.445 20 30 FEEDRO CC[N@@H+]1CCC[C@@H]1CNC(=S)N1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000761187926 680714212 /nfs/dbraw/zinc/71/42/12/680714212.db2.gz OULSBOUVWAOBDI-QZTJIDSGSA-N 1 0 358.511 2.290 20 30 FEEDRO C=CC[C@@H]1CCCN(S(=O)(=O)c2c(C)nn(CC[NH+](C)C)c2C)C1 ZINC000657094800 677943567 /nfs/dbraw/zinc/94/35/67/677943567.db2.gz YZCXVWBOKUHHDN-MRXNPFEDSA-N 1 0 354.520 2.038 20 30 FEEDRO C=CCN1CC[C@H]([N@@H+]2CC[C@H](C)[C@H](CNC(=O)OC(C)(C)C)C2)C1=O ZINC000839090423 680737308 /nfs/dbraw/zinc/73/73/08/680737308.db2.gz JZJZMJWNXJOHCU-XHSDSOJGSA-N 1 0 351.491 2.256 20 30 FEEDRO C=CCN1CC[C@H]([N@H+](C)CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)C1=O ZINC000839591517 680764390 /nfs/dbraw/zinc/76/43/90/680764390.db2.gz JPMVTPKCPIFABZ-HOTGVXAUSA-N 1 0 351.491 2.352 20 30 FEEDRO C=CC[N@@H+](CCC(=O)Nc1ccc(C(N)=O)c(Cl)c1)[C@H](C)COC ZINC000661241780 678457061 /nfs/dbraw/zinc/45/70/61/678457061.db2.gz GHTIZRXNEGEPKF-GFCCVEGCSA-N 1 0 353.850 2.290 20 30 FEEDRO CN([C@@H](C[NH3+])C(F)(F)F)S(=O)(=O)c1ccc(C(F)(F)F)c(F)c1 ZINC000663311708 678722177 /nfs/dbraw/zinc/72/21/77/678722177.db2.gz PQFAXZAXVLFHER-VIFPVBQESA-N 1 0 368.274 2.355 20 30 FEEDRO C=C(C[NH+](C)C)C(=O)N1CCN(C(=O)Nc2ccc(C)c(Cl)c2)CC1 ZINC000764355189 680807122 /nfs/dbraw/zinc/80/71/22/680807122.db2.gz DHQUIYLFBFJIBG-UHFFFAOYSA-N 1 0 364.877 2.442 20 30 FEEDRO C#CCOc1ccc([C@@H](C)[NH2+]CCNS(=O)(=O)c2ccccc2)cc1 ZINC000765409203 680841285 /nfs/dbraw/zinc/84/12/85/680841285.db2.gz NAEFBNSVPNHZQD-MRXNPFEDSA-N 1 0 358.463 2.328 20 30 FEEDRO C#CC[N@H+]1CCC[C@@H]1COC(=O)[C@H](CC(F)F)NC(=O)OC(C)(C)C ZINC000765942966 680860444 /nfs/dbraw/zinc/86/04/44/680860444.db2.gz ULRPHHPPWTUGPI-OLZOCXBDSA-N 1 0 360.401 2.176 20 30 FEEDRO CC(C)N(C)C(=O)c1ccc(Cl)c(NC(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)c1 ZINC000841109802 680863922 /nfs/dbraw/zinc/86/39/22/680863922.db2.gz OYYQKQAFAFGSMC-WFASDCNBSA-N 1 0 363.849 2.053 20 30 FEEDRO C[C@@H]1[C@H](C(=O)N[C@H]2CCN(CC#Cc3ccc(Cl)cc3)C2)CC[N@@H+]1C ZINC001014475089 680038414 /nfs/dbraw/zinc/03/84/14/680038414.db2.gz KQVYRQIRVUYVQH-AYOQOUSVSA-N 1 0 359.901 2.222 20 30 FEEDRO CCO[C@@H](CNC(=O)c1cc(C2CC2)nc(SC)c1C#N)C[NH+](C)C ZINC000831771921 680040954 /nfs/dbraw/zinc/04/09/54/680040954.db2.gz QHGCQNCHWRGBDE-ZDUSSCGKSA-N 1 0 362.499 2.249 20 30 FEEDRO CCO[C@H](CNC(=O)c1cc(C2CC2)nc(SC)c1C#N)C[NH+](C)C ZINC000831771920 680040969 /nfs/dbraw/zinc/04/09/69/680040969.db2.gz QHGCQNCHWRGBDE-CYBMUJFWSA-N 1 0 362.499 2.249 20 30 FEEDRO N#Cc1ccc(C[N@@H+]2CC[C@]3(NC(=O)[C@]45C[C@H]4COC5)CCC[C@H]23)s1 ZINC000990821208 680075133 /nfs/dbraw/zinc/07/51/33/680075133.db2.gz XXXKKGVKIOGNGJ-ZAUBIYILSA-N 1 0 357.479 2.269 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CCC2CCOCC2)C1 ZINC001019490979 680094386 /nfs/dbraw/zinc/09/43/86/680094386.db2.gz JWZPHDLLASRGCJ-FHWLQOOXSA-N 1 0 350.503 2.365 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]C[C@@H]2CC(C)(C)CO2)C1 ZINC001020714047 680113355 /nfs/dbraw/zinc/11/33/55/680113355.db2.gz LANTYARLFABQNY-ATIWLJMLSA-N 1 0 350.503 2.410 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[N@H+](CCc2ccns2)CC1(C)C ZINC000977317991 680160154 /nfs/dbraw/zinc/16/01/54/680160154.db2.gz PWODNIRCGRYKMB-ULQDDVLXSA-N 1 0 363.527 2.493 20 30 FEEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)CCc1cc(Cl)ccc1Br ZINC000834479916 680232875 /nfs/dbraw/zinc/23/28/75/680232875.db2.gz JKQQGGFIHHYQLG-MFKMUULPSA-N 1 0 356.651 2.263 20 30 FEEDRO CCCOc1ccc(-c2nc(C(=O)N[C@H]3C[NH2+]C[C@H]3C#N)cs2)cc1 ZINC000834493714 680234973 /nfs/dbraw/zinc/23/49/73/680234973.db2.gz GSIVGTJKLZTBIW-HIFRSBDPSA-N 1 0 356.451 2.440 20 30 FEEDRO CCCOc1c(Cl)cc(C(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)cc1OCC ZINC000834504558 680236038 /nfs/dbraw/zinc/23/60/38/680236038.db2.gz BZBLVXIBWZLDHP-TZMCWYRMSA-N 1 0 351.834 2.369 20 30 FEEDRO Cc1nc(COc2ccc(F)cc2)sc1C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000834516728 680237159 /nfs/dbraw/zinc/23/71/59/680237159.db2.gz LJYXCZVEBDUNFJ-BXUZGUMPSA-N 1 0 360.414 2.011 20 30 FEEDRO Cc1c2ccc(C(F)(F)F)nc2sc1C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000834516478 680237186 /nfs/dbraw/zinc/23/71/86/680237186.db2.gz ITNUVKVCWNBSCU-PSASIEDQSA-N 1 0 354.357 2.465 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]Cc2nnc(C)s2)C1 ZINC001023990828 680276629 /nfs/dbraw/zinc/27/66/29/680276629.db2.gz HAWSXNPVMSZQQY-OAGGEKHMSA-N 1 0 364.515 2.156 20 30 FEEDRO C=CC(C)(C)C[NH2+][C@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000834883698 680279771 /nfs/dbraw/zinc/27/97/71/680279771.db2.gz OXCPINIGTFRYPZ-CYBMUJFWSA-N 1 0 374.528 2.275 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@H](C[NH2+]CC2CCOCC2)C1 ZINC001024196265 680283882 /nfs/dbraw/zinc/28/38/82/680283882.db2.gz OPXIITMIKNOZGW-QYZOEREBSA-N 1 0 350.503 2.222 20 30 FEEDRO Ic1ccccc1C=NNC1=[NH+][C@@H]2CCCC[C@H]2N1 ZINC000753937011 680325236 /nfs/dbraw/zinc/32/52/36/680325236.db2.gz VFGVOSCPFOTTOV-CHWSQXEVSA-N 1 0 368.222 2.485 20 30 FEEDRO C=CCN1C(=S)N=NC1c1sc(NC(=O)C2([NH2+]C)CCC2)nc1C ZINC000912214808 685331695 /nfs/dbraw/zinc/33/16/95/685331695.db2.gz PLSSNWNJBUBYQF-UHFFFAOYSA-N 1 0 364.500 2.265 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([NH2+]Cc2nn(C)cc2Cl)CC1 ZINC000996602274 680336522 /nfs/dbraw/zinc/33/65/22/680336522.db2.gz ZNWJKRZYHPHRBF-PBHICJAKSA-N 1 0 366.893 2.135 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC([NH2+]CC2CC(OCC)C2)CC1 ZINC000997082009 680346755 /nfs/dbraw/zinc/34/67/55/680346755.db2.gz WGOKRVJDBWNOIQ-FYOYPEGLSA-N 1 0 350.503 2.363 20 30 FEEDRO C=C(C)CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)CC1 ZINC000997239860 680350501 /nfs/dbraw/zinc/35/05/01/680350501.db2.gz YNWKRLBTMHBBLY-XGXHKWSGSA-N 1 0 350.503 2.221 20 30 FEEDRO C[C@H](NC(=O)[C@]12C[C@H]1COC2)C1CC[NH+](Cc2ccc(C#N)s2)CC1 ZINC000997597373 680360032 /nfs/dbraw/zinc/36/00/32/680360032.db2.gz UCFLDXAPKLJIFH-RFUYNDQBSA-N 1 0 359.495 2.373 20 30 FEEDRO C=CCC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)CC1 ZINC000997640641 680361021 /nfs/dbraw/zinc/36/10/21/680361021.db2.gz FQDKUGXOHRMPNJ-CFVMTHIKSA-N 1 0 364.408 2.126 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC(C[NH2+]C[C@H]2CCCOC2)CC1 ZINC000998149195 680377516 /nfs/dbraw/zinc/37/75/16/680377516.db2.gz VRZJCJYBHKYKRE-QYZOEREBSA-N 1 0 350.503 2.222 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](CCCC2CCOCC2)C1 ZINC001028808815 680383261 /nfs/dbraw/zinc/38/32/61/680383261.db2.gz GEMPWJJEOPYDGY-OTWHNJEPSA-N 1 0 350.503 2.222 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CC[N@H+](CCC2CCOCC2)C1 ZINC001028860602 680385910 /nfs/dbraw/zinc/38/59/10/680385910.db2.gz AWFVDGOJFBFRPE-QYZOEREBSA-N 1 0 350.503 2.222 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H](C[N@@H+](C)CC2CCOCC2)C1 ZINC001029739484 680390484 /nfs/dbraw/zinc/39/04/84/680390484.db2.gz ORUYJAOHAIREII-QRVBRYPASA-N 1 0 350.503 2.175 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@H]1CC[N@H+](CCn2cc(Cl)cn2)C1 ZINC001033959594 680429207 /nfs/dbraw/zinc/42/92/07/680429207.db2.gz GCFUAQXNBMWQAH-BBWFWOEESA-N 1 0 366.893 2.050 20 30 FEEDRO C[C@@H]1[C@H](C(=O)NC[C@H]2CCN2CC#Cc2ccccc2Cl)CC[N@@H+]1C ZINC001038263856 680454100 /nfs/dbraw/zinc/45/41/00/680454100.db2.gz ALBJFBMTZGHCKK-KBAYOESNSA-N 1 0 359.901 2.222 20 30 FEEDRO C#CC[N@@H+](C)CCCNC(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 ZINC000836376667 680459793 /nfs/dbraw/zinc/45/97/93/680459793.db2.gz INTGIFBTYDIANM-MSOLQXFVSA-N 1 0 362.905 2.340 20 30 FEEDRO C=C(Cl)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1C[C@@H](C)CC(=O)N1 ZINC001039281763 680462514 /nfs/dbraw/zinc/46/25/14/680462514.db2.gz VOBBPFQURZFLNR-JLKTZEBZSA-N 1 0 353.894 2.155 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1 ZINC000836395706 680463425 /nfs/dbraw/zinc/46/34/25/680463425.db2.gz XNHZTLYRKZMNLB-AWEZNQCLSA-N 1 0 366.868 2.312 20 30 FEEDRO C=C(Cl)C(C)(C)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[N@H+]1C)C2 ZINC001001701116 680472593 /nfs/dbraw/zinc/47/25/93/680472593.db2.gz WZWKNCFYKGVIEC-KBXIAJHMSA-N 1 0 353.894 2.107 20 30 FEEDRO NC(=O)c1ccc(N=NC2CC[NH+](Cc3ccccc3Cl)CC2)nn1 ZINC000756838022 680500936 /nfs/dbraw/zinc/50/09/36/680500936.db2.gz HGJXYOFLVOOWIN-UHFFFAOYSA-N 1 0 358.833 2.293 20 30 FEEDRO C=C(Cl)C(C)(C)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C2 ZINC001003133766 680520859 /nfs/dbraw/zinc/52/08/59/680520859.db2.gz RQECEWHYVUUWER-BTAUDXDXSA-N 1 0 367.921 2.353 20 30 FEEDRO Cc1nsc(N[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@H]2C)c1C#N ZINC001043217961 680567085 /nfs/dbraw/zinc/56/70/85/680567085.db2.gz ZCIHVOBJNHUENB-CZUORRHYSA-N 1 0 361.515 2.458 20 30 FEEDRO C=C(C)C[NH+]1CCC([C@H]2CCCN(C(=O)[C@H]3OCCO[C@H]3C)C2)CC1 ZINC001047243576 680659064 /nfs/dbraw/zinc/65/90/64/680659064.db2.gz LLIOVPFVXVAQCZ-WDSOQIARSA-N 1 0 350.503 2.317 20 30 FEEDRO C=CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2c(F)cccc2F)C1 ZINC001047521412 680664890 /nfs/dbraw/zinc/66/48/90/680664890.db2.gz QLRMSCSNCJPTJG-OMNBBPDLSA-N 1 0 350.409 2.148 20 30 FEEDRO CC(C)Oc1cc(Br)cc(NC(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)c1 ZINC000841136473 680865332 /nfs/dbraw/zinc/86/53/32/680865332.db2.gz TWWWWUCPRBGPIT-QMTHXVAHSA-N 1 0 367.247 2.469 20 30 FEEDRO CCOC(=O)Nc1ccc(NC(=O)N[C@@H](CC[NH3+])C(F)F)cc1C#N ZINC000841157100 680866537 /nfs/dbraw/zinc/86/65/37/680866537.db2.gz XBZGCUQTGBTAKR-LBPRGKRZSA-N 1 0 355.345 2.231 20 30 FEEDRO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(c2snc(C)c2C#N)[C@@H]1C ZINC001051158895 681064882 /nfs/dbraw/zinc/06/48/82/681064882.db2.gz VLVCIOPYGVYJPB-KBMXLJTQSA-N 1 0 361.515 2.281 20 30 FEEDRO Cc1nn(-c2cccc(C)c2)cc1C=NNC(=S)NCCC[NH+](C)C ZINC000844580726 681066956 /nfs/dbraw/zinc/06/69/56/681066956.db2.gz AJVUGHAEZKIXGC-UHFFFAOYSA-N 1 0 358.515 2.239 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)O[C@H](C)C(=O)Nc2ccc(F)c(F)c2)CC1 ZINC000772114916 681086338 /nfs/dbraw/zinc/08/63/38/681086338.db2.gz RLACHRHSFNDFAC-GFCCVEGCSA-N 1 0 350.365 2.180 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)OCc2nc3sc(C)c(C)c3c(N)n2)CC1 ZINC000772119191 681086599 /nfs/dbraw/zinc/08/65/99/681086599.db2.gz FKYYPLZBCUEMPI-UHFFFAOYSA-N 1 0 358.467 2.279 20 30 FEEDRO C=CCNS(=O)(=O)c1ccc(C(=O)OC[C@H]2CC[N@H+]2C(C)(C)C)cc1 ZINC000845738755 681149673 /nfs/dbraw/zinc/14/96/73/681149673.db2.gz CDJQTSJQTZFQPI-OAHLLOKOSA-N 1 0 366.483 2.181 20 30 FEEDRO C=CCNS(=O)(=O)c1cccc(C(=O)OC[C@@H]2CC[N@H+]2C(C)(C)C)c1 ZINC000845739005 681149729 /nfs/dbraw/zinc/14/97/29/681149729.db2.gz DJGPXYFKAYHDFR-HNNXBMFYSA-N 1 0 366.483 2.181 20 30 FEEDRO C[NH+](C)CCN(CCc1ccccc1)S(=O)(=O)c1ccsc1C#N ZINC000845820542 681154783 /nfs/dbraw/zinc/15/47/83/681154783.db2.gz BUERYCLRQAVEBV-UHFFFAOYSA-N 1 0 363.508 2.415 20 30 FEEDRO C#CCNC(=O)CC[NH+]1CCC(Oc2ccc(C(F)(F)F)cn2)CC1 ZINC000932225351 681199980 /nfs/dbraw/zinc/19/99/80/681199980.db2.gz IKFZTIBWBWAXSW-UHFFFAOYSA-N 1 0 355.360 2.083 20 30 FEEDRO C=CC1(CC(=O)N2CCC[N@@H+](CC)CC2)CN(C(=O)OC(C)(C)C)C1 ZINC000932351771 681232502 /nfs/dbraw/zinc/23/25/02/681232502.db2.gz GQHAGOQXACRKBS-UHFFFAOYSA-N 1 0 351.491 2.354 20 30 FEEDRO C[NH+]1CCC(OCC(=O)N[C@H](C#N)c2cccc(C(F)(F)F)c2)CC1 ZINC000932442644 681248106 /nfs/dbraw/zinc/24/81/06/681248106.db2.gz ULHVEVKQSYIKAC-OAHLLOKOSA-N 1 0 355.360 2.497 20 30 FEEDRO C=CC1(CC(=O)N2CC[C@H](C[NH+](C)C)C2)CN(C(=O)OC(C)(C)C)C1 ZINC000932795709 681312281 /nfs/dbraw/zinc/31/22/81/681312281.db2.gz PLMQIIAWARZKGF-OAHLLOKOSA-N 1 0 351.491 2.210 20 30 FEEDRO N#CC[C@@H](NC(=O)N1CCC(OCC[NH+]2CCCC2)CC1)C(F)(F)F ZINC000932917742 681328081 /nfs/dbraw/zinc/32/80/81/681328081.db2.gz WXJJVQHYLJVPRM-CQSZACIVSA-N 1 0 362.396 2.117 20 30 FEEDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)N[C@@H](CC#N)C(F)(F)F)[C@@H](C)C1 ZINC000932919448 681328367 /nfs/dbraw/zinc/32/83/67/681328367.db2.gz ISOQYGBMTKINNT-IHRRRGAJSA-N 1 0 364.412 2.267 20 30 FEEDRO FC1(F)[C@H]2C[N@H+](CCn3cncn3)C[C@H]2C(F)(F)C(F)(F)C1(F)F ZINC000932942212 681332088 /nfs/dbraw/zinc/33/20/88/681332088.db2.gz GCPSHTWACOUYGZ-OCAPTIKFSA-N 1 0 364.240 2.381 20 30 FEEDRO CN1CC[C@@H]([N@@H+]2C[C@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)C1=O ZINC000932944532 681332565 /nfs/dbraw/zinc/33/25/65/681332565.db2.gz WSGSYMHIIBGIFL-GJMOJQLCSA-N 1 0 366.252 2.320 20 30 FEEDRO C#CCC1([NH2+]Cc2nnc3n2c2ccsc2c(=O)n3C)CCCCC1 ZINC000933265570 681382286 /nfs/dbraw/zinc/38/22/86/681382286.db2.gz DRQVDLZVEROYSI-UHFFFAOYSA-N 1 0 355.467 2.459 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)c2nc(F)ccc2Br)CC1 ZINC000847515601 681388965 /nfs/dbraw/zinc/38/89/65/681388965.db2.gz QLVBZEDTSKGKEN-UHFFFAOYSA-N 1 0 354.223 2.201 20 30 FEEDRO O=C(CC[NH+]1CCC2(CC1)CC(=O)C=CO2)N1CCc2sccc2C1 ZINC000933652167 681445764 /nfs/dbraw/zinc/44/57/64/681445764.db2.gz GNBMMCBHOJCWAH-UHFFFAOYSA-N 1 0 360.479 2.361 20 30 FEEDRO Cc1c2c(ccc1Br)C(=NNCC[NH+]1CCCCC1)C(=O)N2 ZINC000848403362 681536075 /nfs/dbraw/zinc/53/60/75/681536075.db2.gz QWZDHNGTDXPGKF-UHFFFAOYSA-N 1 0 365.275 2.489 20 30 FEEDRO C[NH+](C)CCCNC(=S)NN=Cc1cccc(C(=O)OC(C)(C)C)c1 ZINC000777886507 681540473 /nfs/dbraw/zinc/54/04/73/681540473.db2.gz XVTWHVUSIXBZMW-UHFFFAOYSA-N 1 0 364.515 2.392 20 30 FEEDRO C=C(C)CC[N@H+]1CCC[C@H](N(C)C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)CC1 ZINC000948642403 681592049 /nfs/dbraw/zinc/59/20/49/681592049.db2.gz HFRYWRRCFDGGDC-CADBVGFASA-N 1 0 350.503 2.317 20 30 FEEDRO C#CC[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1C[C@H]1c1ccc(C)s1)CCO2 ZINC000949207725 681624631 /nfs/dbraw/zinc/62/46/31/681624631.db2.gz UAIHUODLWWEMPL-IAGOWNOFSA-N 1 0 358.507 2.487 20 30 FEEDRO C=C(C)CC[N@@H+]1CCOC2(CCN(C(=O)[C@H]3OCC[C@H]3CC)CC2)C1 ZINC000949389347 681637588 /nfs/dbraw/zinc/63/75/88/681637588.db2.gz ZDDZQMIMDHSDMT-MSOLQXFVSA-N 1 0 350.503 2.461 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC2(CC1)C[N@H+](CC(C)C)CCO2 ZINC000949493086 681643686 /nfs/dbraw/zinc/64/36/86/681643686.db2.gz NWECHGOATRUHLE-ROUUACIJSA-N 1 0 350.503 2.317 20 30 FEEDRO CN(C)C(NCc1ccccc1)=[NH+]CCS(=O)(=O)Cc1ccccc1 ZINC000849064397 681649150 /nfs/dbraw/zinc/64/91/50/681649150.db2.gz VQQPWJCHXKHVQP-UHFFFAOYSA-N 1 0 359.495 2.309 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)NC[C@H]1CN(c2ccc(Cl)cc2)CCO1 ZINC000913007576 685468915 /nfs/dbraw/zinc/46/89/15/685468915.db2.gz VYOJBLIAZBMCDW-KRWDZBQOSA-N 1 0 351.878 2.169 20 30 FEEDRO C#CCOc1ccc(F)cc1NC(=O)N1C[C@@H](SC)[C@@H]([NH+](C)C)C1 ZINC000779355097 681708264 /nfs/dbraw/zinc/70/82/64/681708264.db2.gz ZGPWYSZSBNOFDR-GOEBONIOSA-N 1 0 351.447 2.347 20 30 FEEDRO CN(CCC#N)c1ccc(C[NH2+]CCS(=O)(=O)CC(F)(F)F)cc1 ZINC000850364196 681891618 /nfs/dbraw/zinc/89/16/18/681891618.db2.gz STVHZRLMWQUMAV-UHFFFAOYSA-N 1 0 363.405 2.103 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC2(CC1)CC[NH+](CCCO)CC2 ZINC000957619243 681910510 /nfs/dbraw/zinc/91/05/10/681910510.db2.gz VCGQSMLDLCCLBC-ROUUACIJSA-N 1 0 350.503 2.055 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)NCCNc2ncc(Cl)cc2Cl)CC1 ZINC000914123778 685495378 /nfs/dbraw/zinc/49/53/78/685495378.db2.gz CRAJWRIWFZQNOO-UHFFFAOYSA-N 1 0 370.284 2.197 20 30 FEEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCOC(=O)C1CC1 ZINC000916409970 685524338 /nfs/dbraw/zinc/52/43/38/685524338.db2.gz NMWGQINVSYXWAF-UHFFFAOYSA-N 1 0 350.488 2.495 20 30 FEEDRO C#C[C@@](C)(CC)[NH2+][C@H](C)C(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1 ZINC000852100398 682219973 /nfs/dbraw/zinc/21/99/73/682219973.db2.gz HHZGEEFZFIZCEY-KDOFPFPSSA-N 1 0 365.499 2.092 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2cn(C)nc2Br)CC1 ZINC000917097918 685529607 /nfs/dbraw/zinc/52/96/07/685529607.db2.gz NFQGQCHJAXGLQC-UHFFFAOYSA-N 1 0 370.295 2.022 20 30 FEEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]CC(=O)NC1CCN(C(=O)OCC)CC1 ZINC000852302943 682256540 /nfs/dbraw/zinc/25/65/40/682256540.db2.gz IORUMNHBIBSCBX-RDJZCZTQSA-N 1 0 351.491 2.448 20 30 FEEDRO N#Cc1ccc(NC(=O)CC[N@@H+]2CC[C@@H](N3CCOC3=O)C2)cc1Cl ZINC000852435425 682277678 /nfs/dbraw/zinc/27/76/78/682277678.db2.gz OHKRUWAWAFIZDI-CQSZACIVSA-N 1 0 362.817 2.067 20 30 FEEDRO CN1CC[C@H](NC(=O)C#CC2CC[NH2+]CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000852885886 682353346 /nfs/dbraw/zinc/35/33/46/682353346.db2.gz DNPJFJDQYDVEBI-PKOBYXMFSA-N 1 0 363.864 2.344 20 30 FEEDRO C#CCCN(CCOC)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000853422082 682412510 /nfs/dbraw/zinc/41/25/10/682412510.db2.gz JNTNFRDXCFQQKT-UHFFFAOYSA-N 1 0 353.532 2.029 20 30 FEEDRO C[NH+](C)CCC[C@H]1CN(c2cc(Br)cnc2C#N)CCO1 ZINC000853990556 682499842 /nfs/dbraw/zinc/49/98/42/682499842.db2.gz PUPHSDCTRDFXFU-ZDUSSCGKSA-N 1 0 353.264 2.263 20 30 FEEDRO COC(=O)CC[NH+]1CCC(=NNC(=S)N[C@@H]2CCC[C@@H](C)[C@@H]2C)CC1 ZINC000788705415 682552184 /nfs/dbraw/zinc/55/21/84/682552184.db2.gz VWZVNLAYPLGOPF-IJEWVQPXSA-N 1 0 368.547 2.290 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)[C@@H]1N(C(=O)OC(C)(C)C)CCC1(C)C ZINC000854663696 682576921 /nfs/dbraw/zinc/57/69/21/682576921.db2.gz DCTIHZCKDCZOLZ-HNNXBMFYSA-N 1 0 351.491 2.093 20 30 FEEDRO C#CC[C@@]1(C(=O)NCC[C@@H](C)[NH+](C)C)CCCN1C(=O)OC(C)(C)C ZINC000855415445 682667379 /nfs/dbraw/zinc/66/73/79/682667379.db2.gz ICRSTQDQAJMBTB-BEFAXECRSA-N 1 0 351.491 2.236 20 30 FEEDRO C=C(C[NH+](C)C)C(=O)N1CCOC[C@H]1c1ccc(Br)cc1 ZINC000855735650 682706661 /nfs/dbraw/zinc/70/66/61/682706661.db2.gz FIODEALWNVIFAZ-HNNXBMFYSA-N 1 0 353.260 2.467 20 30 FEEDRO N#Cc1ccc(O[C@@H]2CCN(CCS(=O)(=O)C3CCCCC3)C2)nc1 ZINC000856744861 682803542 /nfs/dbraw/zinc/80/35/42/682803542.db2.gz WPAKRAWOIZSWTK-MRXNPFEDSA-N 1 0 363.483 2.154 20 30 FEEDRO N#CCOc1cc(F)ccc1NC(=O)N1CC[C@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000926067150 683070843 /nfs/dbraw/zinc/07/08/43/683070843.db2.gz VJQBDFFZNKJPBX-QWRGUYRKSA-N 1 0 360.311 2.471 20 30 FEEDRO C#CCN(C(=O)NCC[C@H]1CC[C@H](C(F)(F)F)O1)C1CC[NH+](C)CC1 ZINC000926295085 683105397 /nfs/dbraw/zinc/10/53/97/683105397.db2.gz YRJUHSCYWUXBMH-HUUCEWRRSA-N 1 0 361.408 2.225 20 30 FEEDRO CON(C)CC[NH2+][C@@H](C)CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1 ZINC000926671760 683160867 /nfs/dbraw/zinc/16/08/67/683160867.db2.gz CJIITTIELJCVMJ-HNNXBMFYSA-N 1 0 354.495 2.389 20 30 FEEDRO COCC[N@@H+]1CCC[C@H]1COC(=O)c1cnc(C(F)(F)F)c(C#N)c1 ZINC000861037836 683336127 /nfs/dbraw/zinc/33/61/27/683336127.db2.gz LNQDYXYBFVBVIP-ZDUSSCGKSA-N 1 0 357.332 2.240 20 30 FEEDRO C#CCN(C(=O)NCCc1nc(C(F)(F)F)cs1)C1CC[NH+](C)CC1 ZINC000920936905 683381247 /nfs/dbraw/zinc/38/12/47/683381247.db2.gz NLADWMADVJBNPM-UHFFFAOYSA-N 1 0 374.432 2.443 20 30 FEEDRO Cc1cc(C#N)cc(C)c1CS(=O)(=O)NCc1cc(N(C)C)cc[nH+]1 ZINC000921017429 683387859 /nfs/dbraw/zinc/38/78/59/683387859.db2.gz IYVKAQOTODFADB-UHFFFAOYSA-N 1 0 358.467 2.256 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)[C@](C)(O)c2cccc(C(F)(F)F)c2)CC1 ZINC000928655925 683482932 /nfs/dbraw/zinc/48/29/32/683482932.db2.gz DENIPPZJSUXFLI-QGZVFWFLSA-N 1 0 354.372 2.127 20 30 FEEDRO C[NH+]1CCN(Cc2ccc(C(=O)N[C@H](CC#N)C(F)(F)F)cc2)CC1 ZINC000928807749 683506800 /nfs/dbraw/zinc/50/68/00/683506800.db2.gz ATNKKNYYUDYKAN-OAHLLOKOSA-N 1 0 354.376 2.008 20 30 FEEDRO COc1cc(C#N)ccc1S(=O)(=O)NC1CCC(C)([NH+]2CCC2)CC1 ZINC000921722327 683557443 /nfs/dbraw/zinc/55/74/43/683557443.db2.gz SFXNWCZPTKDERI-UHFFFAOYSA-N 1 0 363.483 2.252 20 30 FEEDRO C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000922025454 683640332 /nfs/dbraw/zinc/64/03/32/683640332.db2.gz LWJHURNTMZISAR-UHFFFAOYSA-N 1 0 359.495 2.206 20 30 FEEDRO O=C1Nc2ccc(F)c(Br)c2C1=NNCC[NH+]1CCCCC1 ZINC000863080490 683676948 /nfs/dbraw/zinc/67/69/48/683676948.db2.gz CLFXRFCFLFWAGV-UHFFFAOYSA-N 1 0 369.238 2.320 20 30 FEEDRO CC(C)(O)CN[NH+]=Cc1sc(N2CCOCC2)nc1-c1ccccc1 ZINC000863140432 683681630 /nfs/dbraw/zinc/68/16/30/683681630.db2.gz JZSURTICRWQIII-UHFFFAOYSA-N 1 0 360.483 2.341 20 30 FEEDRO C#CC[C@H](CCOC)[NH2+]C[C@@]1(O)CCCN(C(=O)OC(C)(C)C)CC1 ZINC000863589928 683747355 /nfs/dbraw/zinc/74/73/55/683747355.db2.gz ZSQBROZTKLDVKL-VQIMIIECSA-N 1 0 354.491 2.157 20 30 FEEDRO C[C@@H]([NH2+]C[C@H](O)CC#N)c1ccc(Br)cc1OCCCO ZINC000930532706 683748174 /nfs/dbraw/zinc/74/81/74/683748174.db2.gz WEFMYKYUXLKDHT-DGCLKSJQSA-N 1 0 357.248 2.135 20 30 FEEDRO CN(C[C@H]1CC2(CN(C(=O)OC(C)(C)C)C2)C(=O)O1)CC(C)(C)C#N ZINC000930567115 683753930 /nfs/dbraw/zinc/75/39/30/683753930.db2.gz DYLTZNGYGOSNAJ-CYBMUJFWSA-N 1 0 351.447 2.021 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)NC[C@@H](COC)c2ccc(Cl)cc2)CC1 ZINC000922708016 683769981 /nfs/dbraw/zinc/76/99/81/683769981.db2.gz TZYBSNJIPQERKI-INIZCTEOSA-N 1 0 363.889 2.467 20 30 FEEDRO N#Cc1cccc(Br)c1NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000865500521 683990158 /nfs/dbraw/zinc/99/01/58/683990158.db2.gz CIHOOYJBORTULY-CYBMUJFWSA-N 1 0 365.275 2.320 20 30 FEEDRO CN(CCC[NH+]1CCN(C)CC1)c1c(Br)cccc1C#N ZINC000865532321 683994146 /nfs/dbraw/zinc/99/41/46/683994146.db2.gz YQIBRDQTEOKZQA-UHFFFAOYSA-N 1 0 351.292 2.394 20 30 FEEDRO CN(CC[NH+]1CC2(C1)CCOCC2)c1ncc(Br)cc1C#N ZINC000866257778 684086594 /nfs/dbraw/zinc/08/65/94/684086594.db2.gz IURMLHXMIYONKT-UHFFFAOYSA-N 1 0 365.275 2.264 20 30 FEEDRO CNS(=O)(=O)c1ccc(CC[NH2+][C@@H]2CCc3ccc(C#N)cc32)cc1 ZINC000866579354 684122322 /nfs/dbraw/zinc/12/23/22/684122322.db2.gz QNLIBKPZIYPDQI-LJQANCHMSA-N 1 0 355.463 2.286 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)cc1C(F)(F)F ZINC000866826970 684162358 /nfs/dbraw/zinc/16/23/58/684162358.db2.gz GAYYEDWKVYOPHA-UONOGXRCSA-N 1 0 359.373 2.092 20 30 FEEDRO N#Cc1cc(F)cc(S(=O)(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000866994068 684193110 /nfs/dbraw/zinc/19/31/10/684193110.db2.gz OCFLDBIUJSZOPU-KBXCAEBGSA-N 1 0 363.458 2.335 20 30 FEEDRO C[NH+]1CCC(CNS(=O)(=O)c2ccc(C#N)o2)(c2ccccc2)CC1 ZINC000867705449 684356500 /nfs/dbraw/zinc/35/65/00/684356500.db2.gz GTGHWWVYTBJBEV-UHFFFAOYSA-N 1 0 359.451 2.093 20 30 FEEDRO CCO[C@H](CNC(=O)NCc1ccc(SC)c(C#N)c1)C[NH+](C)C ZINC000924042209 684394360 /nfs/dbraw/zinc/39/43/60/684394360.db2.gz UNGKYKDMAIMJHT-OAHLLOKOSA-N 1 0 350.488 2.046 20 30 FEEDRO C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC000868716297 684532391 /nfs/dbraw/zinc/53/23/91/684532391.db2.gz CEMGYRHRPDABOL-MCIONIFRSA-N 1 0 357.882 2.185 20 30 FEEDRO C=CCNC(=O)C[NH2+][C@H](c1cccc(Br)c1)[C@@H]1CCOC1 ZINC000872058299 684917320 /nfs/dbraw/zinc/91/73/20/684917320.db2.gz QTJJKTLYADPLQQ-CZUORRHYSA-N 1 0 353.260 2.419 20 30 FEEDRO C[C@H](C[NH2+]C[C@H](O)c1ccc(C#N)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000872232132 684929880 /nfs/dbraw/zinc/92/98/80/684929880.db2.gz VXCIPFWVJZDCCK-KUHUBIRLSA-N 1 0 358.463 2.388 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H](CC)c1ccccc1OCC(=O)N(C)C ZINC000876592523 686225848 /nfs/dbraw/zinc/22/58/48/686225848.db2.gz SVPGIUIVBBNSOJ-LSDHHAIUSA-N 1 0 367.877 2.191 20 30 FEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)NCc1cccc(NC(=O)N2CCCC2)c1 ZINC000876611280 686228626 /nfs/dbraw/zinc/22/86/26/686228626.db2.gz BSIQYMNDLQGNGW-OAHLLOKOSA-N 1 0 350.850 2.400 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H](O)COc1cccc(Cl)c1Cl ZINC000876621103 686229843 /nfs/dbraw/zinc/22/98/43/686229843.db2.gz VLVGFSBWDZMJMN-ONGXEEELSA-N 1 0 367.660 2.319 20 30 FEEDRO N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N1CCO[C@H](c2cccs2)C1 ZINC000876627704 686231880 /nfs/dbraw/zinc/23/18/80/686231880.db2.gz IWMXEFMFGXNYKN-FUHWJXTLSA-N 1 0 353.447 2.407 20 30 FEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)NCc1ccc(C)cc1OC[C@@H]1CCOC1 ZINC000876693492 686245111 /nfs/dbraw/zinc/24/51/11/686245111.db2.gz WISLUPKXNHTTKI-GDBMZVCRSA-N 1 0 352.862 2.496 20 30 FEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O ZINC000876890484 686288666 /nfs/dbraw/zinc/28/86/66/686288666.db2.gz AIIMLIFLZFSEBZ-HUUCEWRRSA-N 1 0 371.815 2.042 20 30 FEEDRO O=C(C#CC1CC[NH2+]CC1)NCc1cc(F)c(Br)cc1F ZINC000877033362 686315068 /nfs/dbraw/zinc/31/50/68/686315068.db2.gz WYJAWBBVXAFOHV-UHFFFAOYSA-N 1 0 357.198 2.347 20 30 FEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)NC1(c2cccc(OC)c2F)CCOCC1 ZINC000877236060 686342328 /nfs/dbraw/zinc/34/23/28/686342328.db2.gz VLPYKPHBKQIIOH-CYBMUJFWSA-N 1 0 356.825 2.426 20 30 FEEDRO C[C@@H](CCC#N)C[NH+]1CCC([C@@H]2OCC[C@H]2NC(=O)C(F)(F)F)CC1 ZINC000877565209 686410376 /nfs/dbraw/zinc/41/03/76/686410376.db2.gz CXFDNCJWERTTIZ-CFVMTHIKSA-N 1 0 361.408 2.474 20 30 FEEDRO CC(C)(C[NH2+]Cc1cc(C#N)cnc1Cl)[C@@H]1COCC12OCCO2 ZINC000877585737 686416102 /nfs/dbraw/zinc/41/61/02/686416102.db2.gz VLNYFYLNJAEYBK-AWEZNQCLSA-N 1 0 351.834 2.112 20 30 FEEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]CC(C)(C)[C@H]1COCC12OCCO2 ZINC000877584943 686416176 /nfs/dbraw/zinc/41/61/76/686416176.db2.gz LWVZNSKPJCVVKQ-HZPDHXFCSA-N 1 0 352.475 2.091 20 30 FEEDRO C[N@H+](C[C@H](O)c1cc(Br)no1)C[C@@H](O)c1cccc(C#N)c1 ZINC000878802079 686663827 /nfs/dbraw/zinc/66/38/27/686663827.db2.gz AQYDCXLASHBPJN-OLZOCXBDSA-N 1 0 366.215 2.008 20 30 FEEDRO Cc1csc(CC2(O)CC[NH+](C[C@@H](O)c3ccc(C#N)cc3)CC2)n1 ZINC000878926224 686691318 /nfs/dbraw/zinc/69/13/18/686691318.db2.gz GKCVBAXTVMCWKY-QGZVFWFLSA-N 1 0 357.479 2.426 20 30 FEEDRO CN(Cc1ccc(F)cc1C#N)C[C@H](O)CN(C)C(=O)OC(C)(C)C ZINC000879084217 686735073 /nfs/dbraw/zinc/73/50/73/686735073.db2.gz PVDSHAAEXFRXAR-INIZCTEOSA-N 1 0 351.422 2.357 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH+]1CCC(C(=O)NOC)CC1 ZINC000879925346 686947352 /nfs/dbraw/zinc/94/73/52/686947352.db2.gz UPTSBGYCQSRKEC-CQSZACIVSA-N 1 0 365.499 2.041 20 30 FEEDRO N#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@H]3CCNC(=O)[C@H]32)cc1Cl ZINC000880527860 687057887 /nfs/dbraw/zinc/05/78/87/687057887.db2.gz VTEWVTPACXFMQJ-SJCJKPOMSA-N 1 0 360.845 2.141 20 30 FEEDRO N#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H]3CCNC(=O)[C@H]32)cc1Cl ZINC000880527859 687058023 /nfs/dbraw/zinc/05/80/23/687058023.db2.gz VTEWVTPACXFMQJ-PXAZEXFGSA-N 1 0 360.845 2.141 20 30 FEEDRO COCC(C)(C)[NH+]1CCN(C(=O)Nc2cc(C#N)c(F)cc2F)CC1 ZINC000880710191 687077232 /nfs/dbraw/zinc/07/72/32/687077232.db2.gz KDUNHLFGGJILPI-UHFFFAOYSA-N 1 0 352.385 2.411 20 30 FEEDRO CCN1CC[NH+](C[C@@H](C)CNc2ncc(C#N)cc2Br)CC1 ZINC000881822048 687226360 /nfs/dbraw/zinc/22/63/60/687226360.db2.gz WYICBMHPTJDQLK-ZDUSSCGKSA-N 1 0 366.307 2.401 20 30 FEEDRO C[C@H]1COCC[N@@H+]1C1CCN(c2ncc(C#N)cc2Br)CC1 ZINC000882539879 687388823 /nfs/dbraw/zinc/38/88/23/687388823.db2.gz FVBHVFWWLAAWJP-LBPRGKRZSA-N 1 0 365.275 2.405 20 30 FEEDRO Cc1cc(C#N)ccc1S(=O)(=O)N1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000882621028 687411991 /nfs/dbraw/zinc/41/19/91/687411991.db2.gz HNFYUTNVNKVFBB-OAHLLOKOSA-N 1 0 356.451 2.161 20 30 FEEDRO CC1([NH+]2CCC2)CCN(S(=O)(=O)Cc2ccc(F)cc2C#N)CC1 ZINC000882767975 687480153 /nfs/dbraw/zinc/48/01/53/687480153.db2.gz KQVBKIAICGHHHI-UHFFFAOYSA-N 1 0 351.447 2.087 20 30 FEEDRO N#Cc1nc(NC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)ccc1Br ZINC000883079151 687558618 /nfs/dbraw/zinc/55/86/18/687558618.db2.gz LNYZFAZSTMQVFD-DGCLKSJQSA-N 1 0 364.247 2.464 20 30 FEEDRO C[NH+]1CCC(CNC(=O)Nc2ccc(Br)c(C#N)n2)CC1 ZINC000883084681 687559583 /nfs/dbraw/zinc/55/95/83/687559583.db2.gz ZBIJCXVGRMOCKD-UHFFFAOYSA-N 1 0 352.236 2.179 20 30 FEEDRO C[N@@H+]1CCN(C(=O)Nc2ccc(Br)c(C#N)n2)CC1(C)C ZINC000883120324 687570758 /nfs/dbraw/zinc/57/07/58/687570758.db2.gz ZUKWGTXPMXBQSX-UHFFFAOYSA-N 1 0 352.236 2.274 20 30 FEEDRO C=CCC[C@H]([NH2+]C[C@H]1CCN(S(C)(=O)=O)C1)[C@H]1Cc2ccccc2O1 ZINC000883207936 687588232 /nfs/dbraw/zinc/58/82/32/687588232.db2.gz VVTCAPPATHKSDH-HHXXYDBFSA-N 1 0 364.511 2.196 20 30 FEEDRO C=CCC[C@@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCO1 ZINC000883215789 687588916 /nfs/dbraw/zinc/58/89/16/687588916.db2.gz GCHWEBUPAAYMTG-SJORKVTESA-N 1 0 368.455 2.472 20 30 FEEDRO C=CCC[C@H]([NH2+]C[C@H]1CS(=O)(=O)c2ccccc2O1)[C@@H]1CCCO1 ZINC000883231925 687591505 /nfs/dbraw/zinc/59/15/05/687591505.db2.gz WIQATVKNZUZPGC-JYJNAYRXSA-N 1 0 351.468 2.325 20 30 FEEDRO C=CCCc1ccc(S(=O)(=O)N2CCc3sc(C[NH3+])nc3C2)cc1 ZINC000883480794 687644129 /nfs/dbraw/zinc/64/41/29/687644129.db2.gz MUEGUUBWXULOAO-UHFFFAOYSA-N 1 0 363.508 2.467 20 30 FEEDRO N#C[C@@H]1C[NH2+]CC12CC(C(=O)N1CCc3ccc(Br)cc31)C2 ZINC000884137461 687798015 /nfs/dbraw/zinc/79/80/15/687798015.db2.gz NCUHDDWCPXRRBU-UIORMTCPSA-N 1 0 360.255 2.478 20 30 FEEDRO N#C[C@H]1C[NH2+]CC12CC(C(=O)N1CCc3ccc(Br)cc31)C2 ZINC000884137460 687798104 /nfs/dbraw/zinc/79/81/04/687798104.db2.gz NCUHDDWCPXRRBU-JZLYGMAVSA-N 1 0 360.255 2.478 20 30 FEEDRO N#C[C@H]1C[NH2+]CC12CC(C(=O)NCCNc1ncc(Cl)cc1Cl)C2 ZINC000884191563 687813235 /nfs/dbraw/zinc/81/32/35/687813235.db2.gz HIDZOTMYSSOLIH-CSJGVYOVSA-N 1 0 368.268 2.056 20 30 FEEDRO C=C(Cl)C[C@H](NC(=O)[C@@H]([NH3+])Cc1cc2ccccc2o1)C(=O)OCC ZINC000884453252 687873991 /nfs/dbraw/zinc/87/39/91/687873991.db2.gz JWNGKJIPUTXDMI-GJZGRUSLSA-N 1 0 364.829 2.493 20 30 FEEDRO N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000884951997 687972483 /nfs/dbraw/zinc/97/24/83/687972483.db2.gz KFDIFKUZMBDWAH-UONOGXRCSA-N 1 0 373.400 2.482 20 30 FEEDRO Cc1ccc(S(=O)(=O)N2CCN(c3cc[nH+]cc3)C[C@H]2C)c(C#N)c1 ZINC000885847544 688167845 /nfs/dbraw/zinc/16/78/45/688167845.db2.gz IHOQISUOYXLVHQ-OAHLLOKOSA-N 1 0 356.451 2.161 20 30 FEEDRO CN(CCC[N@H+](C)Cc1ccncc1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000886425015 688253253 /nfs/dbraw/zinc/25/32/53/688253253.db2.gz OAAISFKUNRLMNT-UHFFFAOYSA-N 1 0 358.467 2.096 20 30 FEEDRO C#CCC1([NH2+]CC(=O)NCc2cc(Cl)ccc2OC)CCOCC1 ZINC000887124868 688370292 /nfs/dbraw/zinc/37/02/92/688370292.db2.gz YIGLSJJURQAFBF-UHFFFAOYSA-N 1 0 350.846 2.127 20 30 FEEDRO N#Cc1sc(NC(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)nc1Cl ZINC000888412811 688607646 /nfs/dbraw/zinc/60/76/46/688607646.db2.gz WCOULFVYQYECHK-SNVBAGLBSA-N 1 0 369.878 2.291 20 30 FEEDRO CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)Nc1nc(Cl)c(C#N)s1 ZINC000888428335 688610807 /nfs/dbraw/zinc/61/08/07/688610807.db2.gz URMVOQMLHXYRDG-UHFFFAOYSA-N 1 0 369.878 2.244 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)N[C@](C)(CO)c1cccc(Br)c1 ZINC000890629977 688947561 /nfs/dbraw/zinc/94/75/61/688947561.db2.gz HVONCWZUPMZEBY-MRXNPFEDSA-N 1 0 355.276 2.281 20 30 FEEDRO O=C1[C@@H]([NH2+]Cc2ccnc3c(Br)cccc23)CCCN1O ZINC000895158473 689669262 /nfs/dbraw/zinc/66/92/62/689669262.db2.gz JUNVJAWBOYRECY-ZDUSSCGKSA-N 1 0 350.216 2.467 20 30 FEEDRO O=C1[C@@H]([NH2+]CC2=Cc3cc(Br)ccc3OC2)CCCN1O ZINC000895164089 689670007 /nfs/dbraw/zinc/67/00/07/689670007.db2.gz BUWGCUMYJVRSEU-ZDUSSCGKSA-N 1 0 353.216 2.195 20 30 FEEDRO N#Cc1c(Br)cccc1N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000897220606 689990036 /nfs/dbraw/zinc/99/00/36/689990036.db2.gz CCHMAMXAQPPWDW-CVEARBPZSA-N 1 0 350.260 2.356 20 30 FEEDRO COc1ccc([C@H](C[NH+](C)C)NC(=O)NCc2nc(C#N)cs2)cc1 ZINC000897275777 689998907 /nfs/dbraw/zinc/99/89/07/689998907.db2.gz SHUMDJDGDWKRBY-HNNXBMFYSA-N 1 0 359.455 2.125 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)N1CCN(c2ccc(Br)cn2)CC1 ZINC000900188457 690481670 /nfs/dbraw/zinc/48/16/70/690481670.db2.gz WIAWAJIAVWEXDV-UHFFFAOYSA-N 1 0 367.291 2.001 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)N1CCN(C(=O)Cc2ccccc2Cl)CC1 ZINC000900385303 690510194 /nfs/dbraw/zinc/51/01/94/690510194.db2.gz XDXACXXIHVUREG-UHFFFAOYSA-N 1 0 363.889 2.061 20 30 FEEDRO C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 ZINC000900788455 690561991 /nfs/dbraw/zinc/56/19/91/690561991.db2.gz BACKOSAZNFGAIH-DNVCBOLYSA-N 1 0 355.463 2.358 20 30 FEEDRO C=CCC[C@@H]([NH2+]C1CCN(CCS(C)(=O)=O)CC1)[C@]1(C)CCCCO1 ZINC000902795767 690808510 /nfs/dbraw/zinc/80/85/10/690808510.db2.gz GPOWTRVRGDOCJP-MOPGFXCFSA-N 1 0 372.575 2.379 20 30 FEEDRO CC(C)CS(=O)(=O)N1CCC([NH2+][C@@H](C)c2cc(C#N)ccn2)CC1 ZINC000902928954 690821740 /nfs/dbraw/zinc/82/17/40/690821740.db2.gz ZOXQQRJGKFZBLY-AWEZNQCLSA-N 1 0 350.488 2.054 20 30 FEEDRO Cc1cccc(C#N)c1S(=O)(=O)N1C[C@H](C[NH3+])Cc2cc(F)ccc21 ZINC000903589462 690933596 /nfs/dbraw/zinc/93/35/96/690933596.db2.gz VRTSRXJOCOSDRM-ZDUSSCGKSA-N 1 0 359.426 2.332 20 30 FEEDRO CO[C@@H](C)c1nc(Cc2noc(C3CC4(C3)C[NH2+]C[C@@H]4C#N)n2)cs1 ZINC000904098569 691002456 /nfs/dbraw/zinc/00/24/56/691002456.db2.gz BWRWSQFLOROYAD-NDMYFLRLSA-N 1 0 359.455 2.431 20 30 FEEDRO C[C@@](O)(C[NH2+]C[C@@H](O)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F ZINC000905447558 691119820 /nfs/dbraw/zinc/11/98/20/691119820.db2.gz SLLQTBXAAYXHDF-RFZPGFLSSA-N 1 0 355.172 2.083 20 30 FEEDRO C=C(C)C[C@@H](CO)[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000905451296 691120210 /nfs/dbraw/zinc/12/02/10/691120210.db2.gz JYUFQRMGDTUGGL-ZDUSSCGKSA-N 1 0 362.289 2.140 20 30 FEEDRO N#Cc1ccccc1OC[C@H](O)C[NH2+]C[C@H]1CCC[C@H](C(F)(F)F)O1 ZINC000905565092 691141917 /nfs/dbraw/zinc/14/19/17/691141917.db2.gz GPSHKNQJNGXVAN-IIAWOOMASA-N 1 0 358.360 2.388 20 30 FEEDRO N#CCCSc1ccccc1NC(=O)C(=O)NC[C@H]1CCCCC[NH2+]1 ZINC000906736713 691308684 /nfs/dbraw/zinc/30/86/84/691308684.db2.gz VBPMFCSBWMLSIF-CQSZACIVSA-N 1 0 360.483 2.279 20 30 FEEDRO N#C[C@H](c1cccc(Cl)c1)N1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000907879363 691575955 /nfs/dbraw/zinc/57/59/55/691575955.db2.gz ZCWYAUBTZJPULP-QGZVFWFLSA-N 1 0 358.873 2.145 20 30 FEEDRO C[NH+](C)C1(CS(=O)(=O)Oc2ccc(Br)c(C#N)c2)CC1 ZINC000908272276 691649071 /nfs/dbraw/zinc/64/90/71/691649071.db2.gz LMZNOZURPQRHRB-UHFFFAOYSA-N 1 0 359.245 2.124 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)N1CC[C@H]2[C@@H](CCN2C(=O)OC(C)(C)C)C1 ZINC000908354103 691664800 /nfs/dbraw/zinc/66/48/00/691664800.db2.gz KIVIFOPSFZFMDZ-HOTGVXAUSA-N 1 0 351.491 2.352 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)NCCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000908456954 691683011 /nfs/dbraw/zinc/68/30/11/691683011.db2.gz JZCASXDLXIDIRZ-UHFFFAOYSA-N 1 0 358.891 2.128 20 30 FEEDRO C#C[C@@H](NC(=O)C[C@@]1(O)CCC[N@@H+](C)C1)c1ccc(Br)cc1 ZINC000908516410 691692507 /nfs/dbraw/zinc/69/25/07/691692507.db2.gz IELVHSFCGWCDLF-WBVHZDCISA-N 1 0 365.271 2.086 20 30 FEEDRO C=CCn1c(-c2cnsn2)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC000908719518 691717894 /nfs/dbraw/zinc/71/78/94/691717894.db2.gz AVRFMFZURSZYRH-UHFFFAOYSA-N 1 0 359.503 2.437 20 30 FEEDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)ncc1C#N)C2 ZINC001164813180 720089129 /nfs/dbraw/zinc/08/91/29/720089129.db2.gz SWHULXSFEHZKEK-YJBOKZPZSA-N 1 0 361.877 2.186 20 30 FEEDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncc([N+](=O)[O-])cc1C#N)C2 ZINC001164807468 720104142 /nfs/dbraw/zinc/10/41/42/720104142.db2.gz CMUIPLQGKILHOY-QFBILLFUSA-N 1 0 371.441 2.046 20 30 FEEDRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2nccc(F)c2C#N)CC1 ZINC001164826290 720324883 /nfs/dbraw/zinc/32/48/83/720324883.db2.gz GEDBXSRFSDOQTP-MSOLQXFVSA-N 1 0 371.460 2.004 20 30 FEEDRO C=CCOc1cc(C)nc(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)n1 ZINC001164729596 720565689 /nfs/dbraw/zinc/56/56/89/720565689.db2.gz RLXKISDQLPDITL-UHFFFAOYSA-N 1 0 368.485 2.205 20 30 FEEDRO Cc1nc(C#N)cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)n1 ZINC001164839482 720643490 /nfs/dbraw/zinc/64/34/90/720643490.db2.gz NKJSQFSSYPLJNZ-NZSAHSFTSA-N 1 0 365.485 2.231 20 30 FEEDRO N#Cc1cnc2cc[nH]c(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)c1-2 ZINC001164880419 721127176 /nfs/dbraw/zinc/12/71/76/721127176.db2.gz WLENDNSNJJULAX-QZTJIDSGSA-N 1 0 374.448 2.309 20 30 FEEDRO C=CCOc1cc(C)nc(N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@H]3C2)n1 ZINC001164769910 721138162 /nfs/dbraw/zinc/13/81/62/721138162.db2.gz PZLTUMGWYZNNGK-ROUUACIJSA-N 1 0 368.485 2.042 20 30 FEEDRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4nc5c(cc4C#N)CCC5)C[C@@H]3C2)cn1 ZINC001164762642 721200066 /nfs/dbraw/zinc/20/00/66/721200066.db2.gz DCBDZOJLMBGMJK-HKUYNNGSSA-N 1 0 362.481 2.134 20 30 FEEDRO Cc1ccc(CC#N)c(N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)n1 ZINC001164763211 721210828 /nfs/dbraw/zinc/21/08/28/721210828.db2.gz DSLSEUPYYNSKMR-RBUKOAKNSA-N 1 0 350.470 2.148 20 30 FEEDRO COc1cc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)ncc1C#N ZINC001164897312 721510062 /nfs/dbraw/zinc/51/00/62/721510062.db2.gz FRHFPGRRXUPYGE-FUHWJXTLSA-N 1 0 368.412 2.443 20 30 FEEDRO Cc1ncc(C#N)c(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164911917 721526029 /nfs/dbraw/zinc/52/60/29/721526029.db2.gz XLWPCMKRCQUQPU-WMZOPIPTSA-N 1 0 353.401 2.138 20 30 FEEDRO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2C(F)(F)c1ccc(Cl)nc1C#N ZINC001164928047 721858446 /nfs/dbraw/zinc/85/84/46/721858446.db2.gz MWCLNUFTOJIDTM-HUUCEWRRSA-N 1 0 369.847 2.366 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc3c(C)cc(=O)[nH]c3c2)c1C#N ZINC000519729129 819022662 /nfs/dbraw/zinc/02/26/62/819022662.db2.gz XVLLISGCAULUQC-UHFFFAOYSA-N 1 0 364.409 2.248 20 30 FEEDRO C[NH+](C)C[C@@H]1CCN(C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)C1 ZINC000484689881 851051220 /nfs/dbraw/zinc/05/12/20/851051220.db2.gz NEDYPCGYFQLQDS-ZDUSSCGKSA-N 1 0 356.405 2.298 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000507140767 538912492 /nfs/dbraw/zinc/91/24/92/538912492.db2.gz INGBMUPMLNJRAK-UHFFFAOYSA-N 1 0 367.434 2.482 20 30 FEEDRO CC(=O)NCC[N@H+](CCCC1(C#N)CCOCC1)C1CCSCC1 ZINC000549407478 674039849 /nfs/dbraw/zinc/03/98/49/674039849.db2.gz CQBLBLZXFMPFHK-UHFFFAOYSA-N 1 0 353.532 2.421 20 30 FEEDRO Cc1cc(NC(=O)CC[N@@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)no1 ZINC000021406954 539682618 /nfs/dbraw/zinc/68/26/18/539682618.db2.gz OYEFTPGJFOGZGB-UHFFFAOYSA-N 1 0 367.453 2.391 20 30 FEEDRO N#Cc1ccsc1NC(=O)CC[N@@H+](CCC(N)=O)Cc1ccccc1 ZINC000027548029 539809324 /nfs/dbraw/zinc/80/93/24/539809324.db2.gz QKISUMZKYHIIHH-UHFFFAOYSA-N 1 0 356.451 2.326 20 30 FEEDRO C[NH+](C)CCNC(=O)c1ccc(NC(=O)CCc2ccc(C#N)cc2)cc1 ZINC000031461550 539908465 /nfs/dbraw/zinc/90/84/65/539908465.db2.gz QBFZMFMYQIYBAB-UHFFFAOYSA-N 1 0 364.449 2.421 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@@H]1CCCN(C(=O)C2CC2)C1)C(C)C ZINC000042393345 540062658 /nfs/dbraw/zinc/06/26/58/540062658.db2.gz VVZZZWRPHMDHSR-MOPGFXCFSA-N 1 0 361.530 2.450 20 30 FEEDRO C[NH+](C)CCOc1ccc(CNC(=O)NCc2cccc(C#N)c2)cc1 ZINC000045794033 540228017 /nfs/dbraw/zinc/22/80/17/540228017.db2.gz CBWQASBWUTXUNS-UHFFFAOYSA-N 1 0 352.438 2.498 20 30 FEEDRO Cc1cccc(N2CC[NH+](CCCNC(=O)N(C)C[C@H](C)C#N)CC2)c1 ZINC000046867443 540274199 /nfs/dbraw/zinc/27/41/99/540274199.db2.gz ZDSQDHKMXVBFMZ-GOSISDBHSA-N 1 0 357.502 2.308 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1cccnc1N1CCOCC1)C(C)C ZINC000047852059 540330762 /nfs/dbraw/zinc/33/07/62/540330762.db2.gz YWVHBWVAHKJIDW-LJQANCHMSA-N 1 0 372.513 2.347 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)NCc2ccc(NC(=O)NC(C)C)cc2)CC1 ZINC000050031835 540397451 /nfs/dbraw/zinc/39/74/51/540397451.db2.gz PJTDNMOAZZCLNH-UHFFFAOYSA-N 1 0 356.470 2.178 20 30 FEEDRO C[C@@H](Oc1ccc(C#N)cc1)C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000050802837 540415220 /nfs/dbraw/zinc/41/52/20/540415220.db2.gz DIWILVHUDGPEIT-MRXNPFEDSA-N 1 0 370.497 2.000 20 30 FEEDRO CCOCCCNC(=O)C1CC[NH+](CCOc2ccc(C#N)cc2)CC1 ZINC000051738533 540442569 /nfs/dbraw/zinc/44/25/69/540442569.db2.gz PZPHEZLHOMOUGM-UHFFFAOYSA-N 1 0 359.470 2.192 20 30 FEEDRO C[C@H](C(=O)Nc1c(F)cccc1F)[N@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000536340534 540580500 /nfs/dbraw/zinc/58/05/00/540580500.db2.gz DXQSNYKDZLSFDV-SNVBAGLBSA-N 1 0 362.384 2.033 20 30 FEEDRO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)C(=O)Nc2cccc(C#N)c2)C1 ZINC000054946183 540618095 /nfs/dbraw/zinc/61/80/95/540618095.db2.gz VJWZYPIFDOQONT-GJZGRUSLSA-N 1 0 356.470 2.369 20 30 FEEDRO C[NH+](C)CCN(Cc1ccccc1F)S(=O)(=O)c1ccc(C#N)cc1 ZINC000055269146 540642213 /nfs/dbraw/zinc/64/22/13/540642213.db2.gz DKBJNDCWHQWDLS-UHFFFAOYSA-N 1 0 361.442 2.450 20 30 FEEDRO COc1cc(C#N)ccc1OCCCC(=O)N1CC[NH+](CC2CC2)CC1 ZINC000055673665 540670297 /nfs/dbraw/zinc/67/02/97/540670297.db2.gz GZQFWEUEFZQNPE-UHFFFAOYSA-N 1 0 357.454 2.280 20 30 FEEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000056043078 540696479 /nfs/dbraw/zinc/69/64/79/540696479.db2.gz WMTRQWHZEKFZNW-UHFFFAOYSA-N 1 0 372.513 2.376 20 30 FEEDRO C[C@@H]([NH2+]CC(=O)N[C@@](C)(C#N)C1CC1)C1CCN(CC(F)(F)F)CC1 ZINC000550684004 674105467 /nfs/dbraw/zinc/10/54/67/674105467.db2.gz HKLDAKWMLZJTOS-WBMJQRKESA-N 1 0 360.424 2.047 20 30 FEEDRO C=C(C)COc1cc(C[NH2+][C@H]2CCCN(S(C)(=O)=O)C2)ccc1OC ZINC000057969583 540825379 /nfs/dbraw/zinc/82/53/79/540825379.db2.gz FZXRFUSMAIQROB-INIZCTEOSA-N 1 0 368.499 2.164 20 30 FEEDRO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)C(=O)Nc1ccc(C#N)cc1 ZINC000062593761 541151415 /nfs/dbraw/zinc/15/14/15/541151415.db2.gz QJLSEWAMAKFJPA-UHFFFAOYSA-N 1 0 368.412 2.226 20 30 FEEDRO COc1ccc(C[NH2+]CCNC(=O)c2ccco2)cc1OCCCC#N ZINC000064613782 541212922 /nfs/dbraw/zinc/21/29/22/541212922.db2.gz YARJWDSHAKFDIA-UHFFFAOYSA-N 1 0 357.410 2.490 20 30 FEEDRO Cc1nn(C)c(C)c1CC(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000065930718 541272427 /nfs/dbraw/zinc/27/24/27/541272427.db2.gz LJKOBASUERFAOG-UHFFFAOYSA-N 1 0 353.470 2.042 20 30 FEEDRO CC[C@@H](C)[N@H+](C)CCNC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000066196173 541289420 /nfs/dbraw/zinc/28/94/20/541289420.db2.gz CMXZOEWGWYTICY-QGZVFWFLSA-N 1 0 357.502 2.116 20 30 FEEDRO C[NH+](C)Cc1ccc(C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)cc1 ZINC000066768280 541371468 /nfs/dbraw/zinc/37/14/68/541371468.db2.gz IQACNAJGKSBFBG-UHFFFAOYSA-N 1 0 363.465 2.414 20 30 FEEDRO CN(CCC#N)c1ccc(C[NH2+]C[C@@]2(N3CCOCC3)CCSC2)cc1 ZINC000067218921 541434403 /nfs/dbraw/zinc/43/44/03/541434403.db2.gz CBBWVSTVQDWESG-FQEVSTJZSA-N 1 0 374.554 2.334 20 30 FEEDRO C=CCOc1cccc(NC(=O)C(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)c1 ZINC000067397560 541456461 /nfs/dbraw/zinc/45/64/61/541456461.db2.gz XHJAYNZGPCFRHK-JKSUJKDBSA-N 1 0 359.470 2.427 20 30 FEEDRO CCCC[NH+]1CCC(NC(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)CC1 ZINC000068443540 541593389 /nfs/dbraw/zinc/59/33/89/541593389.db2.gz LCBLWVVAIRJIDV-UHFFFAOYSA-N 1 0 358.486 2.177 20 30 FEEDRO COCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000069594786 541698937 /nfs/dbraw/zinc/69/89/37/541698937.db2.gz KHXUMIGAZYRKLT-LJQANCHMSA-N 1 0 358.486 2.447 20 30 FEEDRO N#CCCCOc1cccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC000071108723 541764544 /nfs/dbraw/zinc/76/45/44/541764544.db2.gz MFTAXPGXNNZIPK-QZTJIDSGSA-N 1 0 370.453 2.051 20 30 FEEDRO O=C(CO/[NH+]=C/c1ccc(N2CCOCC2)cc1)NCc1cccs1 ZINC000072809885 541870470 /nfs/dbraw/zinc/87/04/70/541870470.db2.gz NHYZSVKIHZWMMQ-UDWIEESQSA-N 1 0 359.451 2.252 20 30 FEEDRO CCN(C[C@H](C)C#N)C(=O)CN(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000072868446 541886289 /nfs/dbraw/zinc/88/62/89/541886289.db2.gz UDJDLDANYMAGSH-QUCCMNQESA-N 1 0 356.514 2.448 20 30 FEEDRO COC(=O)[C@H]1CCC[C@@H](C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)C1 ZINC000073108032 541918730 /nfs/dbraw/zinc/91/87/30/541918730.db2.gz YBQSNTCOYQAGJM-MOPGFXCFSA-N 1 0 371.481 2.428 20 30 FEEDRO CC(C)[C@@H](CNC(=O)N[C@H](C)c1cccc(C#N)c1)[NH+]1CCN(C)CC1 ZINC000073595967 541971003 /nfs/dbraw/zinc/97/10/03/541971003.db2.gz SGQRUFKHMFJIBX-VQIMIIECSA-N 1 0 357.502 2.190 20 30 FEEDRO CCN1CC[NH+](C[C@@H](C)CNC(=O)N[C@@H](C)c2cccc(C#N)c2)CC1 ZINC000074659201 542110140 /nfs/dbraw/zinc/11/01/40/542110140.db2.gz NPMPQPUKMBJPRA-IRXDYDNUSA-N 1 0 357.502 2.192 20 30 FEEDRO N#Cc1cccc(NC(=O)CC[N@H+]2CCCN(CC(F)(F)F)CC2)c1 ZINC000076397985 542274384 /nfs/dbraw/zinc/27/43/84/542274384.db2.gz ZBMANCRZUXHAOE-UHFFFAOYSA-N 1 0 354.376 2.457 20 30 FEEDRO C=CCOc1cccc(NC(=O)C(=O)N2CC[C@H](C[N@@H+](C)CCC)C2)c1 ZINC000076659604 542307845 /nfs/dbraw/zinc/30/78/45/542307845.db2.gz KOLYZVRMZQTJIZ-MRXNPFEDSA-N 1 0 359.470 2.380 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N[C@H](CC(=O)OC)c2ccc(SC)cc2)CC1 ZINC000076831585 542324651 /nfs/dbraw/zinc/32/46/51/542324651.db2.gz FXSAATUQLUBNMB-GOSISDBHSA-N 1 0 374.506 2.474 20 30 FEEDRO CCN(C[C@H](C)C#N)C(=O)CN1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000076842728 542325944 /nfs/dbraw/zinc/32/59/44/542325944.db2.gz SKCIZVXTUJYODG-QGZVFWFLSA-N 1 0 360.477 2.342 20 30 FEEDRO N#Cc1cc(NC(=O)C(=O)N2CC[NH+](CC3CCCCC3)CC2)ccc1F ZINC000077542126 542394846 /nfs/dbraw/zinc/39/48/46/542394846.db2.gz KHRUISKTMXWJQK-UHFFFAOYSA-N 1 0 372.444 2.360 20 30 FEEDRO O=S1(=O)CC[C@@H](CNC(NCc2ccccc2F)=[NH+]C2CCCC2)C1 ZINC000079258179 542509043 /nfs/dbraw/zinc/50/90/43/542509043.db2.gz WKYAJFRFDYNXRF-AWEZNQCLSA-N 1 0 367.490 2.238 20 30 FEEDRO N#Cc1ccc(CN2CCN(C(=O)[C@@H]3C[C@H]4CCCC[N@@H+]4C3)CC2)cc1 ZINC000081112043 542633255 /nfs/dbraw/zinc/63/32/55/542633255.db2.gz LHADWXJYUXRXHN-WOJBJXKFSA-N 1 0 352.482 2.077 20 30 FEEDRO CN(C)C(=O)c1ccc(CNC(=[NH2+])N[C@@H]2CCOc3ccccc32)cc1 ZINC000083030595 542690366 /nfs/dbraw/zinc/69/03/66/542690366.db2.gz JYNKQCJZAMEFMR-QGZVFWFLSA-N 1 0 352.438 2.317 20 30 FEEDRO [NH2+]=C(NCc1ccccc1Cn1cncn1)N[C@@H]1CCOc2ccccc21 ZINC000083031127 542690264 /nfs/dbraw/zinc/69/02/64/542690264.db2.gz QIXRDYGOWKDBTO-GOSISDBHSA-N 1 0 362.437 2.255 20 30 FEEDRO Cc1cc(NC(=O)N(CCC#N)CCC[NH+](C)C)n(Cc2ccccn2)n1 ZINC000086303043 542735915 /nfs/dbraw/zinc/73/59/15/542735915.db2.gz IWRWWILWEGGCRI-UHFFFAOYSA-N 1 0 369.473 2.334 20 30 FEEDRO C=CCNC(=O)c1ccc(NC[C@@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)nc1 ZINC000089644436 542767603 /nfs/dbraw/zinc/76/76/03/542767603.db2.gz KDGYSLQFSOIUBP-OALUTQOASA-N 1 0 366.465 2.045 20 30 FEEDRO N#CCOc1cccc(CC(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)c1 ZINC000089777724 542770809 /nfs/dbraw/zinc/77/08/09/542770809.db2.gz PQPKUHKFVGCDCV-UXHICEINSA-N 1 0 371.481 2.016 20 30 FEEDRO C[C@@H](O)[C@H]1CCC[N@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC000089928220 542774990 /nfs/dbraw/zinc/77/49/90/542774990.db2.gz WVPFVHRXBPUAFP-ZBFHGGJFSA-N 1 0 368.399 2.266 20 30 FEEDRO O=C(C#Cc1ccc2c(c1)OCO2)Nc1cnn(CC[NH+]2CCCCC2)c1 ZINC000090819486 542788393 /nfs/dbraw/zinc/78/83/93/542788393.db2.gz NJMZOXBBCDRKIZ-UHFFFAOYSA-N 1 0 366.421 2.088 20 30 FEEDRO C[NH+](C)[C@H]1CC[C@H](NC(=O)N2CCCN(c3ccccc3C#N)CC2)C1 ZINC000091760671 542824602 /nfs/dbraw/zinc/82/46/02/542824602.db2.gz CVOIFSAQIYOAHI-ROUUACIJSA-N 1 0 355.486 2.263 20 30 FEEDRO CC[C@H](C)[N@H+](CCC(=O)N(C)CCC#N)Cc1nc2ccccc2c(=O)[nH]1 ZINC000092804456 542887792 /nfs/dbraw/zinc/88/77/92/542887792.db2.gz GKAHAIIHRGVHSD-HNNXBMFYSA-N 1 0 369.469 2.286 20 30 FEEDRO C=CCOc1ccc(C[N@H+](C)C[C@H](O)CN2CCOCC2)cc1Cl ZINC000093583012 542934835 /nfs/dbraw/zinc/93/48/35/542934835.db2.gz OGIAGDWHLBCXEO-INIZCTEOSA-N 1 0 354.878 2.030 20 30 FEEDRO CC[C@@H](CO)[NH+]1CCN(Cc2ccc(OC)c(OCCCC#N)c2)CC1 ZINC000093740325 542938963 /nfs/dbraw/zinc/93/89/63/542938963.db2.gz RYDACLOPULXYJG-SFHVURJKSA-N 1 0 361.486 2.266 20 30 FEEDRO N#C[C@H]1CN(C(=O)[C@@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000247438987 549334184 /nfs/dbraw/zinc/33/41/84/549334184.db2.gz ZROTUOPRJMTAOB-DOTOQJQBSA-N 1 0 367.371 2.192 20 30 FEEDRO C=CCCO[C@@H](C)C(=O)Nc1ccc(CC[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000101523314 543028538 /nfs/dbraw/zinc/02/85/38/543028538.db2.gz HHQJSMUDWQXAHF-INIZCTEOSA-N 1 0 373.497 2.346 20 30 FEEDRO CC[N@H+](CCNC(=O)N1CCN(c2cccc(F)c2C#N)CC1)C1CC1 ZINC000102065606 543058534 /nfs/dbraw/zinc/05/85/34/543058534.db2.gz RJURRRJGJWVQRD-UHFFFAOYSA-N 1 0 359.449 2.013 20 30 FEEDRO C=CCOc1cccc(NC(=O)N2CCN(C(=O)C[NH+](CC)CC)CC2)c1 ZINC000103577224 543114264 /nfs/dbraw/zinc/11/42/64/543114264.db2.gz QWSJIGSMAVYJGU-UHFFFAOYSA-N 1 0 374.485 2.269 20 30 FEEDRO COc1ccc(NC(=[NH2+])NCC(=O)N2CCc3sccc3C2)cc1OC ZINC000104192456 543126072 /nfs/dbraw/zinc/12/60/72/543126072.db2.gz DQDLRMCEHJWLQX-UHFFFAOYSA-N 1 0 374.466 2.077 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@H]2CCCN2C(=O)Cc2ccccc2)CC1 ZINC000106034193 543186235 /nfs/dbraw/zinc/18/62/35/543186235.db2.gz YPKRRXBTDBRAFV-HXUWFJFHSA-N 1 0 369.509 2.377 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cccc(CS(C)(=O)=O)c2)CC1 ZINC000106038948 543186289 /nfs/dbraw/zinc/18/62/89/543186289.db2.gz FKFKXUMRZVCFSP-UHFFFAOYSA-N 1 0 350.484 2.002 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)NC2CCC(C(=O)OCC)CC2)CC1 ZINC000106335723 543224218 /nfs/dbraw/zinc/22/42/18/543224218.db2.gz ZDOXPFNPKWGBSV-UHFFFAOYSA-N 1 0 351.491 2.448 20 30 FEEDRO N#C[C@H]1CN(C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)CCO1 ZINC000106336307 543224252 /nfs/dbraw/zinc/22/42/52/543224252.db2.gz VVESFMNXEXNJCM-IBGZPJMESA-N 1 0 356.470 2.497 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cccc3cnccc32)CC1 ZINC000106349486 543224642 /nfs/dbraw/zinc/22/46/42/543224642.db2.gz GCQBWGKNUKEUPM-UHFFFAOYSA-N 1 0 352.438 2.330 20 30 FEEDRO C[C@H](C(=O)Nc1cccc(C#N)c1)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000106868964 543251374 /nfs/dbraw/zinc/25/13/74/543251374.db2.gz IFFKYZRRNRTAFW-CJNGLKHVSA-N 1 0 358.442 2.484 20 30 FEEDRO CCC[NH+]1CCC(NC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CC1 ZINC000107329746 543266876 /nfs/dbraw/zinc/26/68/76/543266876.db2.gz HAJSGZNMLJLCBF-UHFFFAOYSA-N 1 0 370.501 2.096 20 30 FEEDRO C[NH+](C)CCOc1ccccc1CNS(=O)(=O)Cc1cccc(C#N)c1 ZINC000108399406 543289149 /nfs/dbraw/zinc/28/91/49/543289149.db2.gz VDCZCQMTLNYVRH-UHFFFAOYSA-N 1 0 373.478 2.118 20 30 FEEDRO C=CCCO[C@@H](C)C(=O)NCc1ccccc1CN1CC[NH+](CC)CC1 ZINC000109232987 543318903 /nfs/dbraw/zinc/31/89/03/543318903.db2.gz GSWVRXPUKMCFIJ-SFHVURJKSA-N 1 0 359.514 2.422 20 30 FEEDRO Cc1nc(CON=C(N)c2ccccc2C[NH+]2CCC(O)CC2)oc1C ZINC000109322385 543320906 /nfs/dbraw/zinc/32/09/06/543320906.db2.gz WNZQERBRYGBXGE-UHFFFAOYSA-N 1 0 358.442 2.085 20 30 FEEDRO C[N@@H+]1CCC[C@@H](CNC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)C1 ZINC000109399732 543324305 /nfs/dbraw/zinc/32/43/05/543324305.db2.gz BPVFMFZLHWTPIT-DLBZAZTESA-N 1 0 373.476 2.307 20 30 FEEDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCCN(c2ncccc2C#N)CC1 ZINC000111883407 543423540 /nfs/dbraw/zinc/42/35/40/543423540.db2.gz CCWFBKQNODEHMC-GOSISDBHSA-N 1 0 370.501 2.049 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)COc1cccc(C=O)c1 ZINC000113150762 543475866 /nfs/dbraw/zinc/47/58/66/543475866.db2.gz MYJHJGKFKNKMOV-UHFFFAOYSA-N 1 0 365.433 2.340 20 30 FEEDRO COc1ccc(CCC[NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)cc1OC ZINC000115598399 543577492 /nfs/dbraw/zinc/57/74/92/543577492.db2.gz UNXCAIZROKMEMA-IBGZPJMESA-N 1 0 353.422 2.324 20 30 FEEDRO C=CC[C@H](C)NC(=O)C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000117076620 543623034 /nfs/dbraw/zinc/62/30/34/543623034.db2.gz YWPSVIBESVWHMA-HNNXBMFYSA-N 1 0 361.511 2.297 20 30 FEEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000118105492 543645238 /nfs/dbraw/zinc/64/52/38/543645238.db2.gz LQHZXCFFSGADRQ-ZIAGYGMSSA-N 1 0 360.483 2.087 20 30 FEEDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000118127394 543647623 /nfs/dbraw/zinc/64/76/23/543647623.db2.gz DGVIQEHYTDXPTC-KRWDZBQOSA-N 1 0 356.470 2.417 20 30 FEEDRO COc1cc(/C=C/C(=O)N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)ccc1OCC#N ZINC000120911363 543686544 /nfs/dbraw/zinc/68/65/44/543686544.db2.gz OCYIDDPWPNRGEI-LKEBIXNSSA-N 1 0 357.454 2.409 20 30 FEEDRO C=C(C)C[N@@H+](CC)[C@@H](C)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000120113605 543675577 /nfs/dbraw/zinc/67/55/77/543675577.db2.gz MDBMCOPUHCTMSJ-AWEZNQCLSA-N 1 0 353.488 2.162 20 30 FEEDRO Cc1ccc(C[NH2+]CCNC(=O)C2N=CC=CC2=O)cc1Br ZINC000120482557 543680891 /nfs/dbraw/zinc/68/08/91/543680891.db2.gz GWBYTAKBUQXBNL-NXVVXOECSA-N 1 0 364.243 2.374 20 30 FEEDRO CC(C)[C@H](CNC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1)[NH+]1CCCC1 ZINC000122840483 543726601 /nfs/dbraw/zinc/72/66/01/543726601.db2.gz CNOPZTODMXMBFB-INIZCTEOSA-N 1 0 362.861 2.387 20 30 FEEDRO O=C(C[N@H+]1CCCC[C@@H]1CO)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000123020807 543737909 /nfs/dbraw/zinc/73/79/09/543737909.db2.gz YHTNTDKYPPSGIE-MRXNPFEDSA-N 1 0 354.372 2.020 20 30 FEEDRO N#CCOc1ccccc1C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000122036039 543702565 /nfs/dbraw/zinc/70/25/65/543702565.db2.gz WHHYQWYRNYBQHF-QZTJIDSGSA-N 1 0 357.454 2.087 20 30 FEEDRO CCn1cc(NC(=O)C2CC[NH+](C[C@H](O)c3ccc(C#N)cc3)CC2)cn1 ZINC000124449612 543822614 /nfs/dbraw/zinc/82/26/14/543822614.db2.gz KEXFAMFAHJBZGO-IBGZPJMESA-N 1 0 367.453 2.159 20 30 FEEDRO C[N@H+](CCC(=O)Nc1ccccc1C#N)CC(C)(C)CN1CCOCC1 ZINC000124513865 543827158 /nfs/dbraw/zinc/82/71/58/543827158.db2.gz GFEKFFSAJONYBK-UHFFFAOYSA-N 1 0 358.486 2.177 20 30 FEEDRO C[NH+](C)CCC1CCN(C(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000124553871 543828869 /nfs/dbraw/zinc/82/88/69/543828869.db2.gz XMPVEBCGDAQVMI-UHFFFAOYSA-N 1 0 362.861 2.340 20 30 FEEDRO COc1cc(C#N)ccc1OCC[N@H+](C)CC(C)(C)CN1CCOCC1 ZINC000124206143 543806493 /nfs/dbraw/zinc/80/64/93/543806493.db2.gz NDMKPOQRTHDILH-UHFFFAOYSA-N 1 0 361.486 2.236 20 30 FEEDRO CC(C)c1ccccc1NC(=O)C[N@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000125462980 543883009 /nfs/dbraw/zinc/88/30/09/543883009.db2.gz BQSOIQGTOOIKEV-UHFFFAOYSA-N 1 0 354.458 2.490 20 30 FEEDRO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)c2ccc(C#N)c(Cl)c2)CC1 ZINC000126920460 543963693 /nfs/dbraw/zinc/96/36/93/543963693.db2.gz OIMDNHGGIJFTBP-KRWDZBQOSA-N 1 0 360.889 2.454 20 30 FEEDRO C=CCCOCCNC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000126947846 543964665 /nfs/dbraw/zinc/96/46/65/543964665.db2.gz YNFNWMFVHJJLAK-UHFFFAOYSA-N 1 0 353.507 2.161 20 30 FEEDRO C[C@H]1C[C@H](NC(=O)N2CCN(c3cccc(F)c3C#N)CC2)C[N@@H+]1C1CC1 ZINC000127555681 544000316 /nfs/dbraw/zinc/00/03/16/544000316.db2.gz RYAOOKPUEPAEAE-GJZGRUSLSA-N 1 0 371.460 2.154 20 30 FEEDRO CCOc1ccccc1CCC(=O)Nc1n[nH]c(CCC[NH2+]C)c1C#N ZINC000128215483 544039398 /nfs/dbraw/zinc/03/93/98/544039398.db2.gz JDSCSTQSTQTTNS-UHFFFAOYSA-N 1 0 355.442 2.403 20 30 FEEDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1ccc(F)cc1C#N ZINC000128489277 544055395 /nfs/dbraw/zinc/05/53/95/544055395.db2.gz AMUPJZRKJFYBJK-MRXNPFEDSA-N 1 0 360.433 2.263 20 30 FEEDRO C[NH+](C)C[C@H]1CCN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)C1 ZINC000129951101 544132865 /nfs/dbraw/zinc/13/28/65/544132865.db2.gz SRSMXJFWGPEVPM-IAGOWNOFSA-N 1 0 373.476 2.259 20 30 FEEDRO N#Cc1ccc(NC(=O)CC[N@@H+](CCO)Cc2cccnc2)cc1Cl ZINC000130060491 544137508 /nfs/dbraw/zinc/13/75/08/544137508.db2.gz HTXMRMYNDXMWCL-UHFFFAOYSA-N 1 0 358.829 2.430 20 30 FEEDRO N#CCCn1cc(C[NH2+]CC2(CO)CCOCC2)c(-c2ccccc2)n1 ZINC000130087360 544138451 /nfs/dbraw/zinc/13/84/51/544138451.db2.gz OSGMKKDYDRNJDV-UHFFFAOYSA-N 1 0 354.454 2.342 20 30 FEEDRO C[C@H]1CCC[N@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)[C@@H]1CO ZINC000132815421 544244595 /nfs/dbraw/zinc/24/45/95/544244595.db2.gz QLUOMZJRQDSMJM-WMLDXEAASA-N 1 0 368.399 2.266 20 30 FEEDRO N#CCCN(CC1CC1)C(=O)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000132682108 544240357 /nfs/dbraw/zinc/24/03/57/544240357.db2.gz VSOUTNIRLQMSNI-UHFFFAOYSA-N 1 0 368.481 2.416 20 30 FEEDRO CCC(CC)(CCO)CNC1=[NH+]C[C@H]2CN(C(=O)OC(C)(C)C)CCN12 ZINC000133992488 544290924 /nfs/dbraw/zinc/29/09/24/544290924.db2.gz UXUHZGYQCFWLCD-HNNXBMFYSA-N 1 0 368.522 2.056 20 30 FEEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)[C@@H](C)C1 ZINC000247503530 549346897 /nfs/dbraw/zinc/34/68/97/549346897.db2.gz VCVGIJZTEGKTMH-LRDDRELGSA-N 1 0 362.861 2.339 20 30 FEEDRO C[N@H+](CCCNC(=O)C(=O)Nc1ccc(C#N)cc1F)C1CCCCC1 ZINC000135820549 544361700 /nfs/dbraw/zinc/36/17/00/544361700.db2.gz XWVBLKFILKSNEE-UHFFFAOYSA-N 1 0 360.433 2.407 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cccc(C(=O)CC)c2)CC1 ZINC000136202416 544368765 /nfs/dbraw/zinc/36/87/65/544368765.db2.gz XTJNRTDKMHRYQY-UHFFFAOYSA-N 1 0 357.454 2.375 20 30 FEEDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNS(=O)(=O)c2ccc(C#N)cc2F)C1 ZINC000151097174 544505009 /nfs/dbraw/zinc/50/50/09/544505009.db2.gz QPIHPZBXMORLIS-CYBMUJFWSA-N 1 0 353.463 2.486 20 30 FEEDRO C=C(C)COc1cc(C[NH2+][C@@H]2CCc3nc(COC)nn3C2)ccc1OC ZINC000151520843 544551590 /nfs/dbraw/zinc/55/15/90/544551590.db2.gz QNUSNKOTNAWKDN-MRXNPFEDSA-N 1 0 372.469 2.493 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N(CC[NH+]2CCCC2)c2ccccc2)cn1 ZINC000151674410 544568729 /nfs/dbraw/zinc/56/87/29/544568729.db2.gz RGQOJASJJYIBKZ-UHFFFAOYSA-N 1 0 356.451 2.244 20 30 FEEDRO CC(C)[N@H+]1[C@@H]2CC[C@H]1CCN(S(=O)(=O)c1ccc(F)cc1C#N)C2 ZINC000152107695 544614435 /nfs/dbraw/zinc/61/44/35/544614435.db2.gz TYISQBKPXXYMPY-JKSUJKDBSA-N 1 0 351.447 2.333 20 30 FEEDRO N#Cc1ccccc1NC(=O)CC[NH+]1CCC(N2CCCCC2=O)CC1 ZINC000153233519 544749549 /nfs/dbraw/zinc/74/95/49/544749549.db2.gz RIGJZEJOTNKALC-UHFFFAOYSA-N 1 0 354.454 2.364 20 30 FEEDRO C[C@@H](O)C[C@H]1CCC[N@@H+]1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000153162383 544740813 /nfs/dbraw/zinc/74/08/13/544740813.db2.gz WYXOMQLPXNFCQI-RHSMWYFYSA-N 1 0 368.399 2.408 20 30 FEEDRO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@@]3(CCOC3)C2)cc1 ZINC000153761620 544819659 /nfs/dbraw/zinc/81/96/59/544819659.db2.gz WWAXRAGVZYKQDI-HXUWFJFHSA-N 1 0 357.454 2.444 20 30 FEEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1CC[C@]2(CCOC2)C1 ZINC000153525494 544786337 /nfs/dbraw/zinc/78/63/37/544786337.db2.gz BDHXIWGAQHZQPS-JXFKEZNVSA-N 1 0 357.454 2.443 20 30 FEEDRO CC(C)(Oc1ccc(C#N)cc1)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000153617929 544798297 /nfs/dbraw/zinc/79/82/97/544798297.db2.gz YJZBCFJZTWREOI-QGZVFWFLSA-N 1 0 371.481 2.333 20 30 FEEDRO C#CCOc1cccc(NC(=O)C(=O)N2CCC(CCC[NH+](C)C)CC2)c1 ZINC000154563413 544922227 /nfs/dbraw/zinc/92/22/27/544922227.db2.gz DMYIOJZPLFIXAW-UHFFFAOYSA-N 1 0 371.481 2.218 20 30 FEEDRO N#Cc1nccn1CC(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000179864572 327662882 /nfs/dbraw/zinc/66/28/82/327662882.db2.gz BCDJSCGWYRNTSK-UHFFFAOYSA-N 1 0 359.433 2.252 20 30 FEEDRO Cn1cc(C[NH2+]CC(C)(C)N2CCOCC2)c(-c2ccc(C#N)cc2)n1 ZINC000180030998 327668755 /nfs/dbraw/zinc/66/87/55/327668755.db2.gz SUYUASDFVPZVOF-UHFFFAOYSA-N 1 0 353.470 2.159 20 30 FEEDRO CS(=O)(=O)Nc1ccc(OCC[NH2+]Cc2ccc(C#N)s2)cc1 ZINC000180351001 327682342 /nfs/dbraw/zinc/68/23/42/327682342.db2.gz FFKZKNBFORFURF-UHFFFAOYSA-N 1 0 351.453 2.160 20 30 FEEDRO CC(C)(C)[C@@H](CCO)[NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000181465532 327732050 /nfs/dbraw/zinc/73/20/50/327732050.db2.gz LRILFBOKDNZLAQ-MRXNPFEDSA-N 1 0 355.442 2.069 20 30 FEEDRO CC(C)[C@H]([NH2+]CCOc1ccc(C#N)cc1)c1nc(-c2nc[nH]n2)no1 ZINC000184865609 327886340 /nfs/dbraw/zinc/88/63/40/327886340.db2.gz NEHPTCRUMNQFSW-AWEZNQCLSA-N 1 0 353.386 2.092 20 30 FEEDRO CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)Cc1ccc(C#N)cc1 ZINC000188168974 328070695 /nfs/dbraw/zinc/07/06/95/328070695.db2.gz RLYPGNGAUZGSFY-QFIPXVFZSA-N 1 0 363.461 2.196 20 30 FEEDRO CN1CCC([NH+]2CCC(NC(=O)C3(c4ccc(C#N)cc4)CC3)CC2)CC1 ZINC000189195382 328134349 /nfs/dbraw/zinc/13/43/49/328134349.db2.gz RSGDFYYXXQDERJ-UHFFFAOYSA-N 1 0 366.509 2.265 20 30 FEEDRO Cc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000189391240 328144912 /nfs/dbraw/zinc/14/49/12/328144912.db2.gz AWNSKZFIBCDYQQ-KRWDZBQOSA-N 1 0 354.454 2.282 20 30 FEEDRO N#Cc1ccccc1Cn1cccc1C[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000189748461 328165820 /nfs/dbraw/zinc/16/58/20/328165820.db2.gz QFIAAYJNGUDYCV-NRFANRHFSA-N 1 0 350.466 2.315 20 30 FEEDRO N#Cc1ccccc1Cn1cccc1C[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000189748484 328165864 /nfs/dbraw/zinc/16/58/64/328165864.db2.gz QFIAAYJNGUDYCV-OAQYLSRUSA-N 1 0 350.466 2.315 20 30 FEEDRO C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000190614920 328219704 /nfs/dbraw/zinc/21/97/04/328219704.db2.gz ZLPFPSMUSDRPBF-PBHICJAKSA-N 1 0 357.454 2.369 20 30 FEEDRO CC(C)[C@@H](CNC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C)[NH+]1CCCC1 ZINC000192722546 328335359 /nfs/dbraw/zinc/33/53/59/328335359.db2.gz LQEHEICFRVOCHN-MRXNPFEDSA-N 1 0 373.501 2.290 20 30 FEEDRO CCO[C@@H]1C[C@@](CO)([NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1(C)C ZINC000192805220 328340587 /nfs/dbraw/zinc/34/05/87/328340587.db2.gz PXCANAUQYJCAET-OPYAIIAOSA-N 1 0 371.481 2.209 20 30 FEEDRO CN1CC[NH+](CC2CCN(C(=O)/C=C/c3ccccc3C#N)CC2)CC1 ZINC000193974809 328404944 /nfs/dbraw/zinc/40/49/44/328404944.db2.gz CVWUYOUVYHJCPC-VOTSOKGWSA-N 1 0 352.482 2.057 20 30 FEEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000057374947 324828267 /nfs/dbraw/zinc/82/82/67/324828267.db2.gz YRTHPFUYRJAGFL-LJQANCHMSA-N 1 0 372.513 2.423 20 30 FEEDRO CN(Cc1ccc(C#N)cc1)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000077671292 325004190 /nfs/dbraw/zinc/00/41/90/325004190.db2.gz FOQQNXNFGOXENE-GOSISDBHSA-N 1 0 356.470 2.201 20 30 FEEDRO CS(=O)(=O)Cc1ccccc1C[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000237345601 328513150 /nfs/dbraw/zinc/51/31/50/328513150.db2.gz HSCBLRIUIWPGGN-UHFFFAOYSA-N 1 0 354.435 2.040 20 30 FEEDRO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)c2cc(C#N)cn2C)cc1 ZINC000080938270 325149415 /nfs/dbraw/zinc/14/94/15/325149415.db2.gz QDNOQVMLVHYHPL-UHFFFAOYSA-N 1 0 367.453 2.221 20 30 FEEDRO Cn1cc(C#N)cc1C(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000081703385 325193040 /nfs/dbraw/zinc/19/30/40/325193040.db2.gz LNLMYRSEXWBVOA-UHFFFAOYSA-N 1 0 365.481 2.229 20 30 FEEDRO C[NH+]1CCN(CCOc2ccc(NC(=O)c3cc(C#N)cs3)cc2)CC1 ZINC000084190455 325229877 /nfs/dbraw/zinc/22/98/77/325229877.db2.gz FLYAJPCGUQFZQV-UHFFFAOYSA-N 1 0 370.478 2.498 20 30 FEEDRO C[C@@H](NC(=O)N1CCCN(c2ncccc2C#N)CC1)C(C)(C)C[NH+](C)C ZINC000085418374 325254143 /nfs/dbraw/zinc/25/41/43/325254143.db2.gz FOASACQSBIOUKN-MRXNPFEDSA-N 1 0 372.517 2.151 20 30 FEEDRO CCN(CC)C(=O)CCC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000087026778 325270132 /nfs/dbraw/zinc/27/01/32/325270132.db2.gz SAOJDUAVQSUCIH-UHFFFAOYSA-N 1 0 370.497 2.241 20 30 FEEDRO CC[NH+](CC)C[C@H]1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2Cl)C1 ZINC000088780159 325301237 /nfs/dbraw/zinc/30/12/37/325301237.db2.gz SNRHFOKREGPAHL-CQSZACIVSA-N 1 0 362.861 2.340 20 30 FEEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000089936672 325343359 /nfs/dbraw/zinc/34/33/59/325343359.db2.gz VJEAEDKOAVGTHE-HNNXBMFYSA-N 1 0 364.515 2.389 20 30 FEEDRO COc1cc(C#N)ccc1OCCCC(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000110520836 325688864 /nfs/dbraw/zinc/68/88/64/325688864.db2.gz NQJWWYXSMQSJGT-QGZVFWFLSA-N 1 0 357.454 2.423 20 30 FEEDRO CCN1CC[NH+](C[C@H](C)CNC(=O)N[C@H](C)c2ccc(C#N)cc2)CC1 ZINC000118810786 326104185 /nfs/dbraw/zinc/10/41/85/326104185.db2.gz DWSSAPCOVRQRHG-IAGOWNOFSA-N 1 0 357.502 2.192 20 30 FEEDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)Nc1ccc(Cl)c(C#N)c1 ZINC000119977974 326218015 /nfs/dbraw/zinc/21/80/15/326218015.db2.gz GMVNFAHJTIBWTO-HNNXBMFYSA-N 1 0 362.861 2.483 20 30 FEEDRO CCN1CCN(C(=O)CC2CC[NH+](Cc3ccc(C#N)s3)CC2)CC1 ZINC000119995364 326220271 /nfs/dbraw/zinc/22/02/71/326220271.db2.gz VCXNWWNZNZEOGY-UHFFFAOYSA-N 1 0 360.527 2.386 20 30 FEEDRO Cc1nc(SCC(=O)Nc2ccn(CC[NH+](C)C)n2)c(C#N)c(C)c1C ZINC000120044256 326224566 /nfs/dbraw/zinc/22/45/66/326224566.db2.gz UZEMETDIDFYPRT-UHFFFAOYSA-N 1 0 372.498 2.367 20 30 FEEDRO COc1cc(C#N)ccc1OCC[NH+]1CCC(N2CCCCC2=O)CC1 ZINC000120106955 326230984 /nfs/dbraw/zinc/23/09/84/326230984.db2.gz RGRUSFWRVSWEGY-UHFFFAOYSA-N 1 0 357.454 2.423 20 30 FEEDRO Cn1ccnc1[C@H](O)C1CC[NH+](CCC(=O)Nc2sccc2C#N)CC1 ZINC000120419871 326257501 /nfs/dbraw/zinc/25/75/01/326257501.db2.gz JIIIPTFTCQIFKB-MRXNPFEDSA-N 1 0 373.482 2.127 20 30 FEEDRO N#Cc1ccc(NC(=O)C(=O)N2CCC([NH+]3CCCC3)CC2)cc1Cl ZINC000120599060 326271773 /nfs/dbraw/zinc/27/17/73/326271773.db2.gz IYFPWGXDZVKTOU-UHFFFAOYSA-N 1 0 360.845 2.237 20 30 FEEDRO C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)Nc3ccc(Cl)c(C#N)c3)CC[C@@H]21 ZINC000120608282 326272320 /nfs/dbraw/zinc/27/23/20/326272320.db2.gz SOPPKQYNQGPRJN-LRDDRELGSA-N 1 0 360.845 2.093 20 30 FEEDRO CCC[C@H]1CN(CCC(=O)Nc2sccc2C#N)CC[N@@H+]1CCOC ZINC000121706882 326359839 /nfs/dbraw/zinc/35/98/39/326359839.db2.gz MWVGVRZARTUYNL-INIZCTEOSA-N 1 0 364.515 2.381 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(F)c1 ZINC000121714923 326360797 /nfs/dbraw/zinc/36/07/97/326360797.db2.gz FXVWCZIKYHIUQC-RHSMWYFYSA-N 1 0 363.458 2.335 20 30 FEEDRO COCC[N@H+](C)CCCC1CCN([C@@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000122085049 326383389 /nfs/dbraw/zinc/38/33/89/326383389.db2.gz VYUBDMWLTAPDDH-HXUWFJFHSA-N 1 0 372.513 2.155 20 30 FEEDRO CC(C)[C@@H](CNC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CCCC1 ZINC000122877134 326412638 /nfs/dbraw/zinc/41/26/38/326412638.db2.gz ZAJLVPFPBOCOKY-MRXNPFEDSA-N 1 0 362.861 2.387 20 30 FEEDRO C[NH+](C)CCN(Cc1ccco1)C(=O)C(=O)Nc1cc(C#N)ccc1Cl ZINC000123021456 326417731 /nfs/dbraw/zinc/41/77/31/326417731.db2.gz LMWNBVDWDKCBEB-UHFFFAOYSA-N 1 0 374.828 2.334 20 30 FEEDRO COc1cc(C[NH2+]Cc2cccc(C#N)c2)cc(Cl)c1OCC(N)=O ZINC000127316085 326504111 /nfs/dbraw/zinc/50/41/11/326504111.db2.gz XCAASJIHUDBGNP-UHFFFAOYSA-N 1 0 359.813 2.374 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)COc2ccc(Cl)cc2C)c1C#N ZINC000128170679 326519231 /nfs/dbraw/zinc/51/92/31/326519231.db2.gz GETNYEKGFORZRO-UHFFFAOYSA-N 1 0 361.833 2.413 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2oc(Br)cc2C)c1C#N ZINC000133641640 326612368 /nfs/dbraw/zinc/61/23/68/326612368.db2.gz WZSPTCSSNJJKPO-UHFFFAOYSA-N 1 0 366.219 2.350 20 30 FEEDRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2ccc(C(F)(F)F)c(C#N)c2)CC1 ZINC000167170783 327084023 /nfs/dbraw/zinc/08/40/23/327084023.db2.gz ZUXHTKRWZFSNEZ-INIZCTEOSA-N 1 0 366.387 2.320 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)cn1 ZINC000170658644 327091643 /nfs/dbraw/zinc/09/16/43/327091643.db2.gz UJXXTIKHKAGJTR-SFHVURJKSA-N 1 0 356.451 2.069 20 30 FEEDRO Cc1ccccc1C[NH+]1CCC(NS(=O)(=O)c2ccc(C#N)nc2)CC1 ZINC000170664511 327092289 /nfs/dbraw/zinc/09/22/89/327092289.db2.gz MDALIVPGLJVOBL-UHFFFAOYSA-N 1 0 370.478 2.205 20 30 FEEDRO Cc1nc(CN2CCC[N@H+](CCCOc3ccc(C#N)cc3)CC2)no1 ZINC000170942847 327109089 /nfs/dbraw/zinc/10/90/89/327109089.db2.gz USWRQXOXAGHTCG-UHFFFAOYSA-N 1 0 355.442 2.227 20 30 FEEDRO N#Cc1ccccc1CSCCNC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000173495672 327261202 /nfs/dbraw/zinc/26/12/02/327261202.db2.gz NRJSDGDVHSBIAF-GOSISDBHSA-N 1 0 356.495 2.447 20 30 FEEDRO C[C@H]1C[N@@H+](C2CCN(Cc3nnc(-c4ccc(C#N)cc4)o3)CC2)CCO1 ZINC000173559202 327266652 /nfs/dbraw/zinc/26/66/52/327266652.db2.gz DTIQFDGZVHFRNZ-HNNXBMFYSA-N 1 0 367.453 2.293 20 30 FEEDRO N#Cc1ccc(CNC(=O)N2CCC(OCC[NH+]3CCCC3)CC2)cc1 ZINC000173793896 327284555 /nfs/dbraw/zinc/28/45/55/327284555.db2.gz RLOPEPGQPQTYSL-UHFFFAOYSA-N 1 0 356.470 2.345 20 30 FEEDRO CCOc1ccc(C#N)cc1NC(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000175657925 327405013 /nfs/dbraw/zinc/40/50/13/327405013.db2.gz SYNSAJFGVVGLEN-UHFFFAOYSA-N 1 0 358.442 2.285 20 30 FEEDRO Cc1c(C#N)cccc1NC(=O)C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000178407373 327583100 /nfs/dbraw/zinc/58/31/00/327583100.db2.gz SNZAPPKABJBWME-SFHVURJKSA-N 1 0 350.422 2.224 20 30 FEEDRO C[C@H]1CCCN(S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)[C@H]1C[NH3+] ZINC000262023504 328836066 /nfs/dbraw/zinc/83/60/66/328836066.db2.gz IWXPDZNKXAACAY-HZMBPMFUSA-N 1 0 361.389 2.325 20 30 FEEDRO C[C@@H](CNC(=O)OC(C)(C)C)[N@H+](C)C[C@H](O)COc1ccc(C#N)cc1 ZINC000264746138 329055942 /nfs/dbraw/zinc/05/59/42/329055942.db2.gz UCLIWLQFJKKDNC-HOCLYGCPSA-N 1 0 363.458 2.143 20 30 FEEDRO C[NH+](C)Cc1ccsc1C(=O)N1CCN(c2ccc(C#N)cn2)CC1 ZINC000268144523 329390044 /nfs/dbraw/zinc/39/00/44/329390044.db2.gz QIYXDXSAOZFGAD-UHFFFAOYSA-N 1 0 355.467 2.039 20 30 FEEDRO C[C@H]1C[NH+](CCCNC(=O)NC2(c3cccc(C#N)c3)CC2)C[C@H](C)O1 ZINC000269664718 329538657 /nfs/dbraw/zinc/53/86/57/329538657.db2.gz KNSPTAGQMGZEFK-HOTGVXAUSA-N 1 0 356.470 2.346 20 30 FEEDRO N#Cc1ccc2c(c1)N(C(=O)CC[NH+]1CCN(c3ccccn3)CC1)CC2 ZINC000270183014 329580444 /nfs/dbraw/zinc/58/04/44/329580444.db2.gz GPNKSYONFSBQIX-UHFFFAOYSA-N 1 0 361.449 2.055 20 30 FEEDRO CN(C)C(=O)c1cccc(NC(=O)C[NH2+]C2(c3cccc(C#N)c3)CC2)c1 ZINC000271755428 329722339 /nfs/dbraw/zinc/72/23/39/329722339.db2.gz GSDFKBDASUWFBU-UHFFFAOYSA-N 1 0 362.433 2.477 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCC(C)(C)CCCO ZINC000271787486 329725227 /nfs/dbraw/zinc/72/52/27/329725227.db2.gz KXMJNJSIYRFLOI-UHFFFAOYSA-N 1 0 360.502 2.430 20 30 FEEDRO CS[C@H]1CN(CC(=O)Nc2oc(C)c(C)c2C#N)C[C@@H]1[NH+]1CCCC1 ZINC000274147438 329920026 /nfs/dbraw/zinc/92/00/26/329920026.db2.gz XWVHLENJDBHVTD-HOTGVXAUSA-N 1 0 362.499 2.218 20 30 FEEDRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(c2cc(C#N)ccc2[N+](=O)[O-])CC1 ZINC000274278247 329933614 /nfs/dbraw/zinc/93/36/14/329933614.db2.gz ULQDGQGZUXYBPC-HZPDHXFCSA-N 1 0 357.458 2.461 20 30 FEEDRO C[C@@H](NC(=O)C(=O)Nc1ccccc1CC[NH+](C)C)c1ccc(C#N)cc1 ZINC000275615951 330070746 /nfs/dbraw/zinc/07/07/46/330070746.db2.gz MCRTXOVPHLMAOV-OAHLLOKOSA-N 1 0 364.449 2.478 20 30 FEEDRO Cc1nc(C#N)c(N2CCC(C(=O)NC[C@H]3CCC[N@@H+](C(C)C)C3)CC2)o1 ZINC000276455370 330153699 /nfs/dbraw/zinc/15/36/99/330153699.db2.gz NXVFKEXUIVLJGS-MRXNPFEDSA-N 1 0 373.501 2.308 20 30 FEEDRO CC(C)[C@H]1CCc2c(C#N)c(NC(=O)C(=O)N3CC[C@H]([NH3+])[C@@H]3C)sc2C1 ZINC000331785580 330200790 /nfs/dbraw/zinc/20/07/90/330200790.db2.gz IRTUGJJNJBXRKS-HUBLWGQQSA-N 1 0 374.510 2.267 20 30 FEEDRO N#Cc1ccc(OCCNC(=O)C2CC[NH+](Cc3cccnc3)CC2)cc1 ZINC000361450948 330204213 /nfs/dbraw/zinc/20/42/13/330204213.db2.gz QSPBJNMGFYFAAU-UHFFFAOYSA-N 1 0 364.449 2.360 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2CCC3(C2)CC[NH2+]CC3)cc1C(F)(F)F ZINC000440836747 330276246 /nfs/dbraw/zinc/27/62/46/330276246.db2.gz XQBVXPYKHCZBBE-UHFFFAOYSA-N 1 0 373.400 2.341 20 30 FEEDRO C#CCCCS(=O)(=O)NC[C@@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC000804939125 674308273 /nfs/dbraw/zinc/30/82/73/674308273.db2.gz FIRGMEPXBBGXJV-SFHVURJKSA-N 1 0 350.484 2.165 20 30 FEEDRO C#C[C@H](NC(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc(Cl)cc1F ZINC000805074398 674317174 /nfs/dbraw/zinc/31/71/74/674317174.db2.gz JIQVQNXJSZTKQV-VBQJREDUSA-N 1 0 365.836 2.316 20 30 FEEDRO C[C@@H]([NH2+]C[C@@H](O)COc1ccc(C#N)cc1)c1ccc2c(c1)CC(=O)N2C ZINC000271846181 518178197 /nfs/dbraw/zinc/17/81/97/518178197.db2.gz QQLJIQRPDVGYHM-RDTXWAMCSA-N 1 0 365.433 2.168 20 30 FEEDRO C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000805795836 674354646 /nfs/dbraw/zinc/35/46/46/674354646.db2.gz XBDBYQRNYHPZCT-KXBFYZLASA-N 1 0 351.491 2.400 20 30 FEEDRO C#CC[N@@H+](CC(=O)N1CCC(NC(=O)c2ccccc2)CC1)C1CCCC1 ZINC000155771996 545568462 /nfs/dbraw/zinc/56/84/62/545568462.db2.gz GSDWGAIOEINYNZ-UHFFFAOYSA-N 1 0 367.493 2.285 20 30 FEEDRO N#Cc1cc(F)ccc1NC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000155929304 545584529 /nfs/dbraw/zinc/58/45/29/545584529.db2.gz KGTIUXUXCYPVMX-SCLBCKFNSA-N 1 0 370.428 2.111 20 30 FEEDRO CC(=O)N1CC[C@@H](C[N@@H+](C)[C@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000156648362 545641885 /nfs/dbraw/zinc/64/18/85/545641885.db2.gz LMNZPGRKTAQYAH-AEFFLSMTSA-N 1 0 356.470 2.122 20 30 FEEDRO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N(CCO)Cc1cccnc1 ZINC000157043879 545692969 /nfs/dbraw/zinc/69/29/69/545692969.db2.gz LFVSEGPLBQWGOK-ZDUSSCGKSA-N 1 0 358.829 2.428 20 30 FEEDRO C[NH+]=C(NCc1c(C)noc1C)NCc1cc2c(cc1OC)C[C@@H](C)O2 ZINC000157408976 545738446 /nfs/dbraw/zinc/73/84/46/545738446.db2.gz KRQBEGTYOZOZML-LLVKDONJSA-N 1 0 358.442 2.489 20 30 FEEDRO CC[C@@H](C(=O)N1CCN(c2c(C#N)cnc3ccccc32)CC1)[NH+](C)C ZINC000158110668 545824269 /nfs/dbraw/zinc/82/42/69/545824269.db2.gz QWYFGKIGTCWJGN-SFHVURJKSA-N 1 0 351.454 2.095 20 30 FEEDRO CC[NH+](CC)CC1CCN(CCS(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000478021478 561158331 /nfs/dbraw/zinc/15/83/31/561158331.db2.gz FKQYPPUCSJQJQD-UHFFFAOYSA-N 1 0 363.527 2.386 20 30 FEEDRO CC[N@@H+]1CCCN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)CC1 ZINC000159841673 545984842 /nfs/dbraw/zinc/98/48/42/545984842.db2.gz AOINVDFRUZDOLE-KRWDZBQOSA-N 1 0 373.476 2.403 20 30 FEEDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)CNc2cccc(C#N)c2)[C@H](C)C1 ZINC000160902005 546083376 /nfs/dbraw/zinc/08/33/76/546083376.db2.gz JBPPINIYOBCZBL-APWZRJJASA-N 1 0 358.486 2.223 20 30 FEEDRO C[C@@H]([NH2+]C1CCN(c2ccc(C#N)cn2)CC1)c1cccc(-n2cnnn2)c1 ZINC000161639834 546132640 /nfs/dbraw/zinc/13/26/40/546132640.db2.gz MYWHKAHRDAVPQF-OAHLLOKOSA-N 1 0 374.452 2.249 20 30 FEEDRO C[NH+]=C(NCC1CCN(S(C)(=O)=O)CC1)N[C@@H]1CCC[C@@H](C(C)C)C1 ZINC000164758062 546151556 /nfs/dbraw/zinc/15/15/56/546151556.db2.gz HFKFOLHOIKPCAU-IAGOWNOFSA-N 1 0 372.579 2.038 20 30 FEEDRO N#CC1(CS(=O)(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)CC1 ZINC000164974197 546152098 /nfs/dbraw/zinc/15/20/98/546152098.db2.gz NCXDUYYBDDYIQS-CQSZACIVSA-N 1 0 353.513 2.183 20 30 FEEDRO N#CC1(CS(=O)(=O)NCC2CC[NH+](Cc3cccs3)CC2)CC1 ZINC000164965957 546152441 /nfs/dbraw/zinc/15/24/41/546152441.db2.gz UXUHJWQHNOVCKC-UHFFFAOYSA-N 1 0 353.513 2.183 20 30 FEEDRO COc1ccc(CCNC(=[NH2+])NCc2ccc(OC)c(OC)c2)cc1F ZINC000170915037 546182817 /nfs/dbraw/zinc/18/28/17/546182817.db2.gz DACAWQHZSVDHSW-UHFFFAOYSA-N 1 0 361.417 2.499 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)[C@@H](C(C)C)N2C(=O)c3ccccc3C2=O)CC1 ZINC000171724762 546221598 /nfs/dbraw/zinc/22/15/98/546221598.db2.gz LRSOGNCLGYGAIX-GOSISDBHSA-N 1 0 369.465 2.074 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CCCN(C(=O)N3CCCC3)C2)CC1 ZINC000171728907 546222355 /nfs/dbraw/zinc/22/23/55/546222355.db2.gz BPLWVIBPTVBCDD-QGZVFWFLSA-N 1 0 362.518 2.071 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)NCC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000171722295 546222414 /nfs/dbraw/zinc/22/24/14/546222414.db2.gz YEIDRKDRUHZKRM-UHFFFAOYSA-N 1 0 350.850 2.228 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N2CCC(c3nnc4ccccn43)CC2)CC1 ZINC000171740155 546223630 /nfs/dbraw/zinc/22/36/30/546223630.db2.gz QQVKGTLNJDLHBD-UHFFFAOYSA-N 1 0 368.485 2.269 20 30 FEEDRO C[NH+](C)C[C@@H]1CCN(C(=O)CCC(=O)N(CCC#N)c2ccccc2)C1 ZINC000172171550 546238723 /nfs/dbraw/zinc/23/87/23/546238723.db2.gz XKYGCQUSHHHRED-KRWDZBQOSA-N 1 0 356.470 2.124 20 30 FEEDRO N#CCCN(Cc1ccco1)C(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000172726618 546266324 /nfs/dbraw/zinc/26/63/24/546266324.db2.gz LMGDUTDPNMBTST-UHFFFAOYSA-N 1 0 367.453 2.129 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cccc(OC(F)(F)F)c2)CC1 ZINC000173275964 546277128 /nfs/dbraw/zinc/27/71/28/546277128.db2.gz MRWZENIVXDCIAC-UHFFFAOYSA-N 1 0 371.359 2.290 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(F)cn1 ZINC000479586051 561192667 /nfs/dbraw/zinc/19/26/67/561192667.db2.gz CBGBZIHCOKBPIZ-UHFFFAOYSA-N 1 0 355.417 2.366 20 30 FEEDRO CC(C)n1cnnc1[C@@H]1CCCN(CC(=O)NC2(C#N)CCCCC2)C1 ZINC000174554406 546299005 /nfs/dbraw/zinc/29/90/05/546299005.db2.gz MLHPNBWMQFEGMU-MRXNPFEDSA-N 1 0 358.490 2.381 20 30 FEEDRO C[NH+]=C(NCc1nnc2n1CCCC2)N1CC[C@H](c2ccc(OC)cc2)C1 ZINC000175546660 546312655 /nfs/dbraw/zinc/31/26/55/546312655.db2.gz PYJAVLAKDJHZFW-INIZCTEOSA-N 1 0 368.485 2.188 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)Nc1ccnn1C(C)C)C(C)C ZINC000175846719 546361932 /nfs/dbraw/zinc/36/19/32/546361932.db2.gz WDCJDFPGKZLJJC-INIZCTEOSA-N 1 0 361.490 2.217 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)CCN2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000176251175 546424730 /nfs/dbraw/zinc/42/47/30/546424730.db2.gz ZSWIGTGPJXWXCJ-GOSISDBHSA-N 1 0 361.511 2.282 20 30 FEEDRO N#CCSCC(=O)NCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000176845091 546496177 /nfs/dbraw/zinc/49/61/77/546496177.db2.gz ZQLWNUYFVLUOJB-UHFFFAOYSA-N 1 0 361.511 2.431 20 30 FEEDRO C#CCOc1ccc([C@H](C)[NH2+]Cc2ccc(OCC(N)=O)c(OC)c2)cc1 ZINC000178028425 546724833 /nfs/dbraw/zinc/72/48/33/546724833.db2.gz AWWWKWOCZQANFI-HNNXBMFYSA-N 1 0 368.433 2.422 20 30 FEEDRO C[NH+]=C(NCc1ccco1)NC[C@@H](c1cccs1)N1CCO[C@H](C)C1 ZINC000178423408 546792314 /nfs/dbraw/zinc/79/23/14/546792314.db2.gz PBRMKLPJIBTTRC-ZBFHGGJFSA-N 1 0 362.499 2.468 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)c2ccc(S[C@H]3CCOC3=O)cc2)CC1 ZINC000178537797 546809512 /nfs/dbraw/zinc/80/95/12/546809512.db2.gz YTLILGJXKNMKHX-KRWDZBQOSA-N 1 0 360.479 2.474 20 30 FEEDRO CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)Nc2cccc(C#N)c2C)CC1=O ZINC000178625881 546822221 /nfs/dbraw/zinc/82/22/21/546822221.db2.gz BSRIZBVBJMJJPE-SJORKVTESA-N 1 0 354.454 2.138 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccc(CCS(C)(=O)=O)cc2)CC1 ZINC000178831337 546857922 /nfs/dbraw/zinc/85/79/22/546857922.db2.gz NQSMYQZIMHRPTK-UHFFFAOYSA-N 1 0 365.499 2.046 20 30 FEEDRO COC(=O)c1c(F)cccc1NC(=O)N(CCC#N)CCC[NH+](C)C ZINC000179223684 546916834 /nfs/dbraw/zinc/91/68/34/546916834.db2.gz RBPCVXPDXWWYRF-UHFFFAOYSA-N 1 0 350.394 2.312 20 30 FEEDRO N#Cc1ccccc1/C=C/C(=O)NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000179486177 546963715 /nfs/dbraw/zinc/96/37/15/546963715.db2.gz AEFLCALIIUISLQ-HZYCFNBMSA-N 1 0 361.445 2.323 20 30 FEEDRO C[C@@H]([NH2+]CC(=O)N[C@@](C)(C#N)C1CC1)c1ccc(NC(=O)C2CC2)cc1 ZINC000179760818 547009704 /nfs/dbraw/zinc/00/97/04/547009704.db2.gz CIAHXFOXGYSMFR-XCLFUZPHSA-N 1 0 354.454 2.494 20 30 FEEDRO C=CCn1c(SCC(=O)NCCC[NH+](C)C)nnc1-c1cccs1 ZINC000179984833 547036189 /nfs/dbraw/zinc/03/61/89/547036189.db2.gz DWGMGMNFGNUJTO-UHFFFAOYSA-N 1 0 365.528 2.353 20 30 FEEDRO N#Cc1cc(S(=O)(=O)NCC2CCN(c3cc[nH+]cc3)CC2)ccc1F ZINC000180198613 547066921 /nfs/dbraw/zinc/06/69/21/547066921.db2.gz ZXVTWKMQMORYSV-UHFFFAOYSA-N 1 0 374.441 2.287 20 30 FEEDRO C=CCNC(=O)CNC(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000180396649 547100496 /nfs/dbraw/zinc/10/04/96/547100496.db2.gz MAZACCXJHXRBIC-MRXNPFEDSA-N 1 0 358.486 2.020 20 30 FEEDRO C[C@@H](NC(=O)C(=O)Nc1ccc(C#N)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000180405889 547102853 /nfs/dbraw/zinc/10/28/53/547102853.db2.gz UAGUBZPGFRKHKX-ZBFHGGJFSA-N 1 0 354.454 2.266 20 30 FEEDRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2cc(C#N)ccc2OC)cc1 ZINC000181023679 547232674 /nfs/dbraw/zinc/23/26/74/547232674.db2.gz AJXDNGIMIKYGJS-CYBMUJFWSA-N 1 0 359.451 2.326 20 30 FEEDRO C=CCNC(=O)c1ccc(NCc2ccccc2C[N@H+]2CC[C@H](O)C2)nc1 ZINC000181144872 547258372 /nfs/dbraw/zinc/25/83/72/547258372.db2.gz MAUAJRXHAOWUFP-IBGZPJMESA-N 1 0 366.465 2.176 20 30 FEEDRO C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000181303257 547289654 /nfs/dbraw/zinc/28/96/54/547289654.db2.gz RXWLUPFGIWZQGB-RDJZCZTQSA-N 1 0 366.469 2.412 20 30 FEEDRO C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000181809349 547385117 /nfs/dbraw/zinc/38/51/17/547385117.db2.gz SSYPCPHMWLJJPL-RHSMWYFYSA-N 1 0 374.485 2.399 20 30 FEEDRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)NC[C@@H](C)C#N)CC1 ZINC000182630852 547525086 /nfs/dbraw/zinc/52/50/86/547525086.db2.gz YYMZOESKWSCVRB-GJZGRUSLSA-N 1 0 361.465 2.487 20 30 FEEDRO C[N@H+](CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1)C1CCCC1 ZINC000182668942 547530256 /nfs/dbraw/zinc/53/02/56/547530256.db2.gz VGZGDXYTNNMCEJ-LJQANCHMSA-N 1 0 358.461 2.409 20 30 FEEDRO C[C@@H]1CC[N@H+](CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)[C@@H]1C ZINC000182818696 547557114 /nfs/dbraw/zinc/55/71/14/547557114.db2.gz LTOBDCYZXBJNGG-MDZRGWNJSA-N 1 0 358.461 2.265 20 30 FEEDRO C=CC[C@@H](CO)NC(=O)NCc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000183010368 547587662 /nfs/dbraw/zinc/58/76/62/547587662.db2.gz NUQYFJRDRXPPKW-BXWFABGCSA-N 1 0 361.486 2.032 20 30 FEEDRO N#Cc1ccc(OC[C@@H](O)CN2CCO[C@H](COc3ccccc3)C2)cc1 ZINC000484541923 561299571 /nfs/dbraw/zinc/29/95/71/561299571.db2.gz GNYYQXGBNLJEDT-RXVVDRJESA-N 1 0 368.433 2.078 20 30 FEEDRO Cc1cc(N2C[C@@H](C(=O)N(CCC#N)CCC[NH+](C)C)CC2=O)ccc1F ZINC000184149046 547776511 /nfs/dbraw/zinc/77/65/11/547776511.db2.gz QCNZWTOMZFXAOH-INIZCTEOSA-N 1 0 374.460 2.181 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2c(C)noc2-c2ccccc2)CC1 ZINC000184706882 547868834 /nfs/dbraw/zinc/86/88/34/547868834.db2.gz DXJGIVNWZVGNDC-UHFFFAOYSA-N 1 0 368.437 2.355 20 30 FEEDRO C=CCOc1cc(OC)ccc1C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000185101942 547933881 /nfs/dbraw/zinc/93/38/81/547933881.db2.gz HGXIZJMPTKPBQM-UHFFFAOYSA-N 1 0 374.481 2.444 20 30 FEEDRO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[NH2+]C(C)(C)CC(N)=O)c1C#N ZINC000186237464 548104495 /nfs/dbraw/zinc/10/44/95/548104495.db2.gz HWSQQIPNDUQAGB-UHFFFAOYSA-N 1 0 367.453 2.148 20 30 FEEDRO N#Cc1ccc(C2(C(=O)N3CCC[C@@H](C[NH+]4CCOCC4)C3)CC2)cc1 ZINC000186843459 548204472 /nfs/dbraw/zinc/20/44/72/548204472.db2.gz QWWDTHNYHCMAJY-SFHVURJKSA-N 1 0 353.466 2.161 20 30 FEEDRO C#CCOc1ccccc1NC(=O)C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000187347399 548256242 /nfs/dbraw/zinc/25/62/42/548256242.db2.gz UEEZSFPBCOURNN-QGZVFWFLSA-N 1 0 371.481 2.265 20 30 FEEDRO COC(=O)[C@](C)(C[NH2+][C@H](C)C(=O)NC1(C#N)CCCCC1)c1ccccc1 ZINC000189947224 548314197 /nfs/dbraw/zinc/31/41/97/548314197.db2.gz COGQYQFNTKGHDX-OXQOHEQNSA-N 1 0 371.481 2.438 20 30 FEEDRO Cc1coc2ccc(NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C)cc12 ZINC000189998406 548315140 /nfs/dbraw/zinc/31/51/40/548315140.db2.gz UUUVOYDDOFUHAQ-UHFFFAOYSA-N 1 0 356.426 2.374 20 30 FEEDRO Cc1ncsc1C[N@H+](C)C[C@H]1CCN(C(=O)c2ccc(C#N)cn2)C1 ZINC000190563197 548328577 /nfs/dbraw/zinc/32/85/77/548328577.db2.gz NNHFAZOZSCWYMJ-OAHLLOKOSA-N 1 0 355.467 2.312 20 30 FEEDRO N#CCCN(CCC#N)C(=O)C[NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000192038784 548356197 /nfs/dbraw/zinc/35/61/97/548356197.db2.gz KVBQMEYYSWWMFC-SJLPKXTDSA-N 1 0 360.845 2.416 20 30 FEEDRO C[C@@H]1CCC[C@H](NC(=O)CN2CCN(CC#Cc3ccccc3)CC2)C1 ZINC000192103076 548358717 /nfs/dbraw/zinc/35/87/17/548358717.db2.gz IJDGRYUSPJZRSI-CTNGQTDRSA-N 1 0 353.510 2.351 20 30 FEEDRO C=CCN(C(=O)[C@@H]1C[N@H+](C)C[C@H]1C)[C@@H](Cc1ccccc1)C(=O)OCC ZINC000487354983 561368093 /nfs/dbraw/zinc/36/80/93/561368093.db2.gz OXTCRLWTICSREQ-QRQLOZEOSA-N 1 0 358.482 2.373 20 30 FEEDRO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCC[C@@H](CCC(N)=O)C1 ZINC000245397375 548906715 /nfs/dbraw/zinc/90/67/15/548906715.db2.gz PBPZOYVRZZCCAI-IRXDYDNUSA-N 1 0 356.470 2.299 20 30 FEEDRO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)cc1 ZINC000245511527 548937134 /nfs/dbraw/zinc/93/71/34/548937134.db2.gz YJZPOGQOFAEEOP-SJLPKXTDSA-N 1 0 357.454 2.048 20 30 FEEDRO CCN(CCC#N)C(=O)C[N@@H+]1C[C@H](C(=O)OC)C[C@@H](c2ccccc2)C1 ZINC000246207608 549078052 /nfs/dbraw/zinc/07/80/52/549078052.db2.gz BUZPMYAUBJHRIZ-QZTJIDSGSA-N 1 0 357.454 2.027 20 30 FEEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC000246745342 549202874 /nfs/dbraw/zinc/20/28/74/549202874.db2.gz BDHXIWGAQHZQPS-OXJNMPFZSA-N 1 0 357.454 2.443 20 30 FEEDRO C=C[C@@H]1CCCC[N@@H+]1CC(=O)NCc1ccccc1CN1CCCC1=O ZINC000489441234 561411249 /nfs/dbraw/zinc/41/12/49/561411249.db2.gz QPHKOMDRBKPBKO-LJQANCHMSA-N 1 0 355.482 2.466 20 30 FEEDRO CC[C@H]1CN(CC(=O)N[C@](C)(C#N)C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000248715017 549489449 /nfs/dbraw/zinc/48/94/49/549489449.db2.gz FLPLFARFYPXSNO-PZJWPPBQSA-N 1 0 354.498 2.391 20 30 FEEDRO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000250485323 549642248 /nfs/dbraw/zinc/64/22/48/549642248.db2.gz KVOUWBUQTCPQMC-QXAKKESOSA-N 1 0 373.497 2.315 20 30 FEEDRO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](CC(=O)N(CC)C[C@H](C)C#N)C1 ZINC000250569208 549642462 /nfs/dbraw/zinc/64/24/62/549642462.db2.gz VUKZZRAMCUBYQF-IXDOHACOSA-N 1 0 350.507 2.011 20 30 FEEDRO C[C@@H](C(=O)N1CCCCC1)[N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000253378265 549685031 /nfs/dbraw/zinc/68/50/31/549685031.db2.gz ZUMJDVBNIYCNSM-SFHVURJKSA-N 1 0 354.498 2.467 20 30 FEEDRO C[NH+]=C(NCc1cnc(N(C)C)n1C)N[C@H]1CC(C)(C)Oc2ccccc21 ZINC000261964943 549774529 /nfs/dbraw/zinc/77/45/29/549774529.db2.gz LDECBUGXSGZWGI-INIZCTEOSA-N 1 0 370.501 2.454 20 30 FEEDRO C[NH+]=C(NCc1ccc(C(N)=O)o1)N[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000261992910 549777947 /nfs/dbraw/zinc/77/79/47/549777947.db2.gz RTXHQEYNCKXWDA-CQSZACIVSA-N 1 0 356.426 2.346 20 30 FEEDRO O=S1(=O)CC[C@@H](C[NH+]=C(NCc2cccs2)N2CCCCC2)C1 ZINC000262227766 549800944 /nfs/dbraw/zinc/80/09/44/549800944.db2.gz LOUUJTYNDFGYFU-AWEZNQCLSA-N 1 0 355.529 2.114 20 30 FEEDRO N#Cc1cc(S(=O)(=O)N2CCC[C@H](CC[NH3+])C2)ccc1C(F)(F)F ZINC000262323069 549810761 /nfs/dbraw/zinc/81/07/61/549810761.db2.gz QORNJTXYAGPEKP-LLVKDONJSA-N 1 0 361.389 2.327 20 30 FEEDRO C[NH+]=C(NCC1(N(C)C)Cc2ccccc2C1)N1CCC2(C1)CCOCC2 ZINC000262368798 549814794 /nfs/dbraw/zinc/81/47/94/549814794.db2.gz IDWOCPKTGCGWEU-UHFFFAOYSA-N 1 0 370.541 2.164 20 30 FEEDRO CC(C)[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N1CC[C@H](c2ccccc2)C1 ZINC000262438029 549819936 /nfs/dbraw/zinc/81/99/36/549819936.db2.gz UDPAPMCZOPGEHQ-WMZOPIPTSA-N 1 0 363.527 2.265 20 30 FEEDRO CC(C)[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N1CC[C@@H](c2ccccc2)C1 ZINC000262438027 549820044 /nfs/dbraw/zinc/82/00/44/549820044.db2.gz UDPAPMCZOPGEHQ-FUHWJXTLSA-N 1 0 363.527 2.265 20 30 FEEDRO CC[NH+]=C(NCc1cc(Cl)c2c(c1)OCCO2)NC[C@@H]1CCOC1 ZINC000262812304 549852055 /nfs/dbraw/zinc/85/20/55/549852055.db2.gz OIHCTZDSGWAPKX-LBPRGKRZSA-N 1 0 353.850 2.203 20 30 FEEDRO N#Cc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)c(Cl)c1 ZINC000490507142 561434193 /nfs/dbraw/zinc/43/41/93/561434193.db2.gz HGLCEGBWLUESLM-CYBMUJFWSA-N 1 0 360.845 2.283 20 30 FEEDRO [NH2+]=C(NCc1ccccc1S(=O)(=O)N1CCCCC1)NCC1CCC1 ZINC000263236789 549888080 /nfs/dbraw/zinc/88/80/80/549888080.db2.gz JUPCSYWBMQJVEU-UHFFFAOYSA-N 1 0 364.515 2.066 20 30 FEEDRO COc1ccccc1CNC(=[NH2+])NCc1ccc(OC)c(OC)c1OC ZINC000264093758 549978462 /nfs/dbraw/zinc/97/84/62/549978462.db2.gz LXUHAENFNXSIAF-UHFFFAOYSA-N 1 0 359.426 2.326 20 30 FEEDRO CCc1cccc(NC(=[NH2+])NCc2ccc(OCC(N)=O)c(OC)c2)c1 ZINC000264093606 549978539 /nfs/dbraw/zinc/97/85/39/549978539.db2.gz LVQCCGMFVBQMPX-UHFFFAOYSA-N 1 0 356.426 2.049 20 30 FEEDRO [NH2+]=C(NCCc1ccc(OCC(=O)NC2CC2)cc1)Nc1ccccc1 ZINC000264097466 549979125 /nfs/dbraw/zinc/97/91/25/549979125.db2.gz NAMSIVPRZHNAIE-UHFFFAOYSA-N 1 0 352.438 2.313 20 30 FEEDRO [NH2+]=C(NCc1ccccc1OCCN1CCOCC1)Nc1ccccc1 ZINC000264098581 549979137 /nfs/dbraw/zinc/97/91/37/549979137.db2.gz NFALRDLQYTXLRR-UHFFFAOYSA-N 1 0 354.454 2.324 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000264367202 549994687 /nfs/dbraw/zinc/99/46/87/549994687.db2.gz QAPDIJZHWNTSPN-UHFFFAOYSA-N 1 0 372.513 2.315 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)NCc2cc(OC)c(OC)cc2OC)CC1 ZINC000264383283 549995263 /nfs/dbraw/zinc/99/52/63/549995263.db2.gz IVAAFPBUFUSLMB-UHFFFAOYSA-N 1 0 363.458 2.162 20 30 FEEDRO C#CCOc1cccc(NC(=O)C(=O)N2CCC([NH+]3CCCCC3)CC2)c1 ZINC000264753826 550000808 /nfs/dbraw/zinc/00/08/08/550000808.db2.gz OTHXWXSSCXMATC-UHFFFAOYSA-N 1 0 369.465 2.114 20 30 FEEDRO CCCc1nc(CON=C(N)[C@H](C)CN(C)C(=O)OC(C)(C)C)no1 ZINC000264827302 550001980 /nfs/dbraw/zinc/00/19/80/550001980.db2.gz HFZPFULMEWAMRQ-LLVKDONJSA-N 1 0 355.439 2.314 20 30 FEEDRO CC(C)c1nc(CON=C(N)[C@H](C)CN(C)C(=O)OC(C)(C)C)no1 ZINC000264825678 550002149 /nfs/dbraw/zinc/00/21/49/550002149.db2.gz GVLXGYUFFPWAPB-LLVKDONJSA-N 1 0 355.439 2.485 20 30 FEEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCC[N@H+](C)C1CC1 ZINC000265347365 550008856 /nfs/dbraw/zinc/00/88/56/550008856.db2.gz APPHSBUTOQMHMH-CYBMUJFWSA-N 1 0 360.483 2.230 20 30 FEEDRO COc1ccc(CCNC(=[NH2+])NC[C@H](CCO)CC(C)C)cc1OC ZINC000267386394 550030690 /nfs/dbraw/zinc/03/06/90/550030690.db2.gz BOTSLZMMSCLDOV-MRXNPFEDSA-N 1 0 351.491 2.195 20 30 FEEDRO COc1ccc(CNC(=[NH2+])NCC2(SC)CCOCC2)cc1OC ZINC000267445230 550031908 /nfs/dbraw/zinc/03/19/08/550031908.db2.gz PUVPIBJNSFOSQC-UHFFFAOYSA-N 1 0 353.488 2.020 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1c(CC)c(CC)n[nH]c1=O)C(C)C ZINC000268258212 550041484 /nfs/dbraw/zinc/04/14/84/550041484.db2.gz RZMPIXNLVQENRO-KRWDZBQOSA-N 1 0 360.502 2.323 20 30 FEEDRO C=CCOc1ccc(C(=O)NCC2(O)CC[NH+](C(C)C)CC2)cc1OC ZINC000268514334 550079499 /nfs/dbraw/zinc/07/94/99/550079499.db2.gz YEFYERNJGQMXQB-UHFFFAOYSA-N 1 0 362.470 2.225 20 30 FEEDRO CC(C)[C@@H](CNC(=O)C(=O)Nc1ccc(C#N)cc1Cl)[NH+]1CCCC1 ZINC000269086589 550153152 /nfs/dbraw/zinc/15/31/52/550153152.db2.gz JICMZSNOAGXBHW-MRXNPFEDSA-N 1 0 362.861 2.387 20 30 FEEDRO Cc1ncc(S(=O)(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)s1 ZINC000269921121 550236379 /nfs/dbraw/zinc/23/63/79/550236379.db2.gz BANDFZNEIJENTF-UHFFFAOYSA-N 1 0 364.496 2.076 20 30 FEEDRO CC(C)[NH+]1CCC(N2CCN(C(=O)c3ccc(CC#N)cc3)CC2)CC1 ZINC000270554573 550283156 /nfs/dbraw/zinc/28/31/56/550283156.db2.gz RVEQOMGAZJNXLS-UHFFFAOYSA-N 1 0 354.498 2.383 20 30 FEEDRO CN(C)c1ncc(C[NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)cn1 ZINC000271067607 550337200 /nfs/dbraw/zinc/33/72/00/550337200.db2.gz GVLHWUZJOLVEIW-UHFFFAOYSA-N 1 0 352.442 2.289 20 30 FEEDRO C[C@H](CCO)[N@H+](CC(=O)NCc1ccc(C#N)cc1)Cc1ccccc1 ZINC000271382485 550370559 /nfs/dbraw/zinc/37/05/59/550370559.db2.gz ILCSFFOATBPWCQ-QGZVFWFLSA-N 1 0 351.450 2.448 20 30 FEEDRO COc1cccc(C[N@H+](CCC(=O)N(C)CCC#N)C[C@H]2CCCO2)c1 ZINC000271492976 550379560 /nfs/dbraw/zinc/37/95/60/550379560.db2.gz FSVBEJXJSDFAJK-LJQANCHMSA-N 1 0 359.470 2.438 20 30 FEEDRO C=C(Cl)CN[C@@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000271555430 550384708 /nfs/dbraw/zinc/38/47/08/550384708.db2.gz WPLSTQACGGQNEF-AWEZNQCLSA-N 1 0 359.923 2.320 20 30 FEEDRO C#CC[C@H]([NH2+]CC(=O)N(CCC(N)=O)Cc1ccccc1)c1ccccc1 ZINC000271752254 550399830 /nfs/dbraw/zinc/39/98/30/550399830.db2.gz XWUFRRPQQOXNQA-FQEVSTJZSA-N 1 0 363.461 2.245 20 30 FEEDRO C[C@H]([NH2+]C[C@@H](O)COc1ccc2c(c1)OCO2)c1ccc(OCC#N)cc1 ZINC000271850786 550405793 /nfs/dbraw/zinc/40/57/93/550405793.db2.gz RKKSLZFPPNIMQH-GOEBONIOSA-N 1 0 370.405 2.408 20 30 FEEDRO C[C@@H]([NH2+]C[C@](O)(c1nccn1C)C(F)(F)F)c1ccc(OCC#N)cc1 ZINC000272144848 550425198 /nfs/dbraw/zinc/42/51/98/550425198.db2.gz UCHAALCRNWGCOR-WBMJQRKESA-N 1 0 368.359 2.423 20 30 FEEDRO C=CCNC(=O)c1ccc(NC(=O)N2C[C@@H]([NH+](C)C)[C@@H](SC)C2)cc1 ZINC000272329591 550438426 /nfs/dbraw/zinc/43/84/26/550438426.db2.gz KBKAUVKYJAWWGC-CVEARBPZSA-N 1 0 362.499 2.112 20 30 FEEDRO COc1cc(C#N)ccc1OCCCC(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000272567947 550458183 /nfs/dbraw/zinc/45/81/83/550458183.db2.gz VAHVYWVYYAPCCB-SJORKVTESA-N 1 0 357.454 2.278 20 30 FEEDRO COc1cc(/C=C/C(=O)NCC2(C)CC[NH+](C)CC2)ccc1OCC#N ZINC000272607919 550460435 /nfs/dbraw/zinc/46/04/35/550460435.db2.gz VSNPDOWVZJAOQM-FNORWQNLSA-N 1 0 357.454 2.459 20 30 FEEDRO C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CCC(C)(C#N)CC1 ZINC000272619716 550461212 /nfs/dbraw/zinc/46/12/12/550461212.db2.gz UORPPRUWURCOJX-IEBWSBKVSA-N 1 0 354.498 2.391 20 30 FEEDRO N#Cc1ccc(N2CCC[C@H]([NH2+]Cc3cc4c(cc3O)OCO4)C2=O)cc1 ZINC000272629309 550461612 /nfs/dbraw/zinc/46/16/12/550461612.db2.gz XQNQUHPGXWFVMH-INIZCTEOSA-N 1 0 365.389 2.278 20 30 FEEDRO C=CCc1ccc(OC[C@H](O)C[NH2+][C@H](CO)c2ccccc2)c(OC)c1 ZINC000273082337 550484377 /nfs/dbraw/zinc/48/43/77/550484377.db2.gz HSEZIYALUIHQPN-RTBURBONSA-N 1 0 357.450 2.487 20 30 FEEDRO COC(=O)C1=NOC2(C1)CC[NH+](CCCOc1cccc(C#N)c1)CC2 ZINC000273164042 550487825 /nfs/dbraw/zinc/48/78/25/550487825.db2.gz BDHWPBFWVGFNII-UHFFFAOYSA-N 1 0 357.410 2.111 20 30 FEEDRO COCCOc1ccc(C#N)cc1NC(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000273241879 550491292 /nfs/dbraw/zinc/49/12/92/550491292.db2.gz WVWOHXFBYCNBCQ-RDJZCZTQSA-N 1 0 358.442 2.141 20 30 FEEDRO CS[C@@H]1CN(C(=O)Cc2ccc(OCC#N)cc2)C[C@@H]1[NH+]1CCCC1 ZINC000273573041 550503621 /nfs/dbraw/zinc/50/36/21/550503621.db2.gz ZUBNYFGMSFQBGD-ZWKOTPCHSA-N 1 0 359.495 2.170 20 30 FEEDRO C#CCOc1ccccc1NC(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000274884579 550562442 /nfs/dbraw/zinc/56/24/42/550562442.db2.gz XUDJOGPOMPVQLK-ROUUACIJSA-N 1 0 357.454 2.198 20 30 FEEDRO C=CCn1c(C)cc(C(=O)CN2CC[C@@H](C(=O)NCC(F)(F)F)C2)c1C ZINC000275071754 550570255 /nfs/dbraw/zinc/57/02/55/550570255.db2.gz AKBHRXLWQVSNDZ-CQSZACIVSA-N 1 0 371.403 2.474 20 30 FEEDRO CS[C@@H]1CN(CC(=O)N(CCC#N)c2ccccc2)C[C@@H]1[NH+]1CCCC1 ZINC000275102443 550570736 /nfs/dbraw/zinc/57/07/36/550570736.db2.gz QVLWLCNKXQHWGQ-RBUKOAKNSA-N 1 0 372.538 2.445 20 30 FEEDRO C=CCNc1ncc(C(=O)N2C[C@H](SC)[C@@H]([NH+]3CCCC3)C2)s1 ZINC000275112255 550570762 /nfs/dbraw/zinc/57/07/62/550570762.db2.gz LQXGQLSQIXBFOF-JSGCOSHPSA-N 1 0 352.529 2.393 20 30 FEEDRO CC(C)(CNC(=O)C(=O)Nc1ccc(C#N)cc1Cl)C[NH+]1CCCC1 ZINC000276783829 550595248 /nfs/dbraw/zinc/59/52/48/550595248.db2.gz NOGRVQHETHLGJD-UHFFFAOYSA-N 1 0 362.861 2.388 20 30 FEEDRO C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CCc3cc[nH]c(=O)c3C2)c(OC)c1 ZINC000277000851 550620307 /nfs/dbraw/zinc/62/03/07/550620307.db2.gz WHAZZLWTPRKAJT-KRWDZBQOSA-N 1 0 370.449 2.322 20 30 FEEDRO C[C@H](NS(=O)(=O)c1cccnc1C#N)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000277006717 550621009 /nfs/dbraw/zinc/62/10/09/550621009.db2.gz INFYJVBFTMDBBO-DOTOQJQBSA-N 1 0 370.478 2.142 20 30 FEEDRO CC[NH+](CC)CCN(Cc1ccccc1)S(=O)(=O)c1cccnc1C#N ZINC000277072343 550628687 /nfs/dbraw/zinc/62/86/87/550628687.db2.gz SRSKPVHAQMFANF-UHFFFAOYSA-N 1 0 372.494 2.486 20 30 FEEDRO C#CCOc1ccccc1CNC(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC000278532179 550796111 /nfs/dbraw/zinc/79/61/11/550796111.db2.gz ZYLUNHPXMJSLSM-KRWDZBQOSA-N 1 0 371.481 2.093 20 30 FEEDRO COCCN1CCC([NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)CC1 ZINC000278574106 550800528 /nfs/dbraw/zinc/80/05/28/550800528.db2.gz FBULENDQGMQAHC-UHFFFAOYSA-N 1 0 368.485 2.059 20 30 FEEDRO C[C@](O)(C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)C(F)(F)F ZINC000278656305 550808479 /nfs/dbraw/zinc/80/84/79/550808479.db2.gz MTMXEVAIGDQKGB-HNNXBMFYSA-N 1 0 353.348 2.262 20 30 FEEDRO COC[C@@H]([NH2+]CC(=O)N(CCC#N)c1cccc(Cl)c1)[C@@H]1CCCO1 ZINC000279083324 550853081 /nfs/dbraw/zinc/85/30/81/550853081.db2.gz OILXHXHFUDHTSP-SJORKVTESA-N 1 0 365.861 2.370 20 30 FEEDRO N#Cc1ccc(CN2CCCN(C(=O)[C@@H]3CCC[N@@H+]3C3CC3)CC2)cc1 ZINC000279658433 550913641 /nfs/dbraw/zinc/91/36/41/550913641.db2.gz CUBROXKWYYWWKG-FQEVSTJZSA-N 1 0 352.482 2.219 20 30 FEEDRO C#CCn1ccc(CN(CC)CCOc2ccc(OC)cc2[N+](=O)[O-])n1 ZINC000279687371 550916859 /nfs/dbraw/zinc/91/68/59/550916859.db2.gz HHPBRAPXJXHNHM-UHFFFAOYSA-N 1 0 358.398 2.334 20 30 FEEDRO C[N@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)C1(CCO)CCOCC1 ZINC000495455793 561488432 /nfs/dbraw/zinc/48/84/32/561488432.db2.gz RZLDRLPUAKPXOC-UHFFFAOYSA-N 1 0 351.834 2.014 20 30 FEEDRO CC(=O)N1CCC[C@H](C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)C1 ZINC000279797909 550929929 /nfs/dbraw/zinc/92/99/29/550929929.db2.gz NBMBMNSIRMKFDB-HXUWFJFHSA-N 1 0 354.498 2.371 20 30 FEEDRO C=CCc1ccc(OCC(=O)N2C[C@@H](SC)[C@@H]([NH+](C)C)C2)c(OC)c1 ZINC000495551204 561489645 /nfs/dbraw/zinc/48/96/45/561489645.db2.gz UQLJNWILUPAPIS-MAUKXSAKSA-N 1 0 364.511 2.307 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C2CCN(c3oc(C)nc3C#N)CC2)CC1 ZINC000280571465 551008919 /nfs/dbraw/zinc/00/89/19/551008919.db2.gz RFDBRGPHNBDDNX-UHFFFAOYSA-N 1 0 371.485 2.228 20 30 FEEDRO CCOC(=O)N1CCC(NC(=[NH2+])NCCc2ccc(SC)cc2)CC1 ZINC000280630129 551015060 /nfs/dbraw/zinc/01/50/60/551015060.db2.gz SUCWFWTXQXJPQG-UHFFFAOYSA-N 1 0 364.515 2.476 20 30 FEEDRO Cc1oc(C#N)cc1C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000280739174 551027013 /nfs/dbraw/zinc/02/70/13/551027013.db2.gz WPSWCWQEHUSKHE-UHFFFAOYSA-N 1 0 353.422 2.346 20 30 FEEDRO C=CCN1CC[C@H]([N@@H+](C)Cc2cc(C)c(OCC(=O)OC)c(C)c2)C1=O ZINC000281227946 551075814 /nfs/dbraw/zinc/07/58/14/551075814.db2.gz KVOVZSWXGFLHRL-KRWDZBQOSA-N 1 0 360.454 2.074 20 30 FEEDRO CNC(=O)[C@]1(C)CC[N@@H+]([C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000281260597 551078826 /nfs/dbraw/zinc/07/88/26/551078826.db2.gz VKTBFAGKKRDTCJ-DYESRHJHSA-N 1 0 370.497 2.397 20 30 FEEDRO C=CCN1CC[C@H]([N@H+](C)C[C@@H](O)CO[C@@H]2CCCc3ccccc32)C1=O ZINC000281282755 551081077 /nfs/dbraw/zinc/08/10/77/551081077.db2.gz IUHGUVAUZBQLCY-YZGWKJHDSA-N 1 0 358.482 2.160 20 30 FEEDRO C=CC[C@@H](CC)NC(=O)C(=O)Nc1cccc(N2CC[NH+](CC)CC2)c1 ZINC000281580835 551115922 /nfs/dbraw/zinc/11/59/22/551115922.db2.gz YFMGJYVFKLPFRZ-MRXNPFEDSA-N 1 0 358.486 2.238 20 30 FEEDRO C#C[C@H](NC(=O)C(=O)Nc1ccccc1OCC[NH+](CC)CC)C(C)C ZINC000281587189 551117035 /nfs/dbraw/zinc/11/70/35/551117035.db2.gz RCQDIBLDMBFTJZ-INIZCTEOSA-N 1 0 359.470 2.120 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N2CC[C@H](C(=O)N(C)c3ccccc3)C2)CC1 ZINC000281642853 551124767 /nfs/dbraw/zinc/12/47/67/551124767.db2.gz MJBYACKYZUQYIY-KRWDZBQOSA-N 1 0 370.497 2.331 20 30 FEEDRO C[N@H+](CCC(=O)Nc1cccc(C#N)c1)CC(=O)NCc1cccs1 ZINC000496964917 561496623 /nfs/dbraw/zinc/49/66/23/561496623.db2.gz CBCPMTJAEQXMMC-UHFFFAOYSA-N 1 0 356.451 2.197 20 30 FEEDRO C=CCn1c(-c2cccn2C)nnc1N1CC[NH+](CCOC(C)C)CC1 ZINC000282127788 551184210 /nfs/dbraw/zinc/18/42/10/551184210.db2.gz AJBLROMMAJVFSM-UHFFFAOYSA-N 1 0 358.490 2.017 20 30 FEEDRO CC(C)(C)C(=O)NC[C@@H]1CCC[N@H+](CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000497423151 561500653 /nfs/dbraw/zinc/50/06/53/561500653.db2.gz YIBOETVCHLQPIT-SFHVURJKSA-N 1 0 370.497 2.049 20 30 FEEDRO C=CCn1c(C(=O)NC(C)C)nnc1N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000282443508 551229951 /nfs/dbraw/zinc/22/99/51/551229951.db2.gz ZRVCRUPIESOTAL-NVXWUHKLSA-N 1 0 372.517 2.055 20 30 FEEDRO C=C[C@H](CC(=O)N1CCC(c2nnc3n2CCNC3)CC1)c1ccccc1 ZINC000283015080 551297900 /nfs/dbraw/zinc/29/79/00/551297900.db2.gz OFZSONFCDKVRDP-MRXNPFEDSA-N 1 0 365.481 2.447 20 30 FEEDRO Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000283232256 551333186 /nfs/dbraw/zinc/33/31/86/551333186.db2.gz RUZHJDIGVQUVJJ-QGZVFWFLSA-N 1 0 366.469 2.330 20 30 FEEDRO C=CCN1CC[C@H](ON=C(N)c2ccccc2C[NH+]2CCCCC2)C1=O ZINC000283585739 551391813 /nfs/dbraw/zinc/39/18/13/551391813.db2.gz RNBRDUYVDCZLKA-SFHVURJKSA-N 1 0 356.470 2.096 20 30 FEEDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N[C@H](C)c1ccc(C#N)cc1 ZINC000284074695 551479329 /nfs/dbraw/zinc/47/93/29/551479329.db2.gz RONMEPRZHNRGFI-CRAIPNDOSA-N 1 0 356.470 2.116 20 30 FEEDRO CN(Cc1ccc(C#N)cc1)C(=O)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000284210373 551504772 /nfs/dbraw/zinc/50/47/72/551504772.db2.gz MYGJRCDUELOWLX-UHFFFAOYSA-N 1 0 368.481 2.040 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H](C)c2ccc(OC)cc2)CC1 ZINC000284235811 551506514 /nfs/dbraw/zinc/50/65/14/551506514.db2.gz UFBUSEICPFKSTI-OAHLLOKOSA-N 1 0 359.470 2.029 20 30 FEEDRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)C(=O)N(C)Cc2cccc(C#N)c2)C1 ZINC000284382056 551537230 /nfs/dbraw/zinc/53/72/30/551537230.db2.gz UXOSGICVYMQSIH-IRXDYDNUSA-N 1 0 370.497 2.001 20 30 FEEDRO CC(C)N(Cc1ccc(C#N)cc1)C(=O)C(=O)NCC[NH+]1CCC(C)CC1 ZINC000284444663 551550758 /nfs/dbraw/zinc/55/07/58/551550758.db2.gz ZOORVSRMBUWOCS-UHFFFAOYSA-N 1 0 370.497 2.143 20 30 FEEDRO C[C@H](O)C[N@@H+]1CCN(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)[C@@H](C)C1 ZINC000284576281 551580985 /nfs/dbraw/zinc/58/09/85/551580985.db2.gz KNWHGCNJICRXFX-RYUDHWBXSA-N 1 0 370.375 2.496 20 30 FEEDRO Cc1onc(CC(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)c1C#N ZINC000498530727 561527171 /nfs/dbraw/zinc/52/71/71/561527171.db2.gz XBMHEEZHEIDKKR-UHFFFAOYSA-N 1 0 352.438 2.350 20 30 FEEDRO O=C(C[NH2+][C@@H]1CCC[C@H]1CCO)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000285591824 551779665 /nfs/dbraw/zinc/77/96/65/551779665.db2.gz BMYJNRIPRPEZIB-DOTOQJQBSA-N 1 0 368.399 2.314 20 30 FEEDRO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(-n2cncn2)cc1 ZINC000499069383 561542483 /nfs/dbraw/zinc/54/24/83/561542483.db2.gz LVLASTYHGAPMNG-VCBZYWHSSA-N 1 0 354.458 2.361 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cc(C)c(F)cc2Cl)CC1 ZINC000499071836 561542521 /nfs/dbraw/zinc/54/25/21/561542521.db2.gz AVEIGFREPRBAKA-UHFFFAOYSA-N 1 0 353.825 2.493 20 30 FEEDRO C[C@](C#N)(NC(=O)C[N@@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21)C1CC1 ZINC000286189080 551859015 /nfs/dbraw/zinc/85/90/15/551859015.db2.gz XLCAFJCSVRAORF-RCLSDMTESA-N 1 0 353.466 2.299 20 30 FEEDRO COc1ccc(C[C@H](C)[NH2+]CCNC(=O)C2N=CC=CC2=O)c(C)c1OC ZINC000286230143 551863841 /nfs/dbraw/zinc/86/38/41/551863841.db2.gz SSGPWXNFJSSDIT-HGENEIFLSA-N 1 0 373.453 2.059 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCC2(c3ccccc3C)CC2)CC1 ZINC000286351479 551877456 /nfs/dbraw/zinc/87/74/56/551877456.db2.gz KWHMWDYWWMPXNU-UHFFFAOYSA-N 1 0 369.509 2.300 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N2C[C@@H](c3ccccc3)C[C@@H]2C)CC1 ZINC000286422466 551884512 /nfs/dbraw/zinc/88/45/12/551884512.db2.gz FWZJCZCMZBGQLU-WMZOPIPTSA-N 1 0 355.482 2.158 20 30 FEEDRO C=CCN1CC[C@@H]([NH2+][C@@](C)(CO)c2ccc(Br)cc2)C1=O ZINC000286420333 551884661 /nfs/dbraw/zinc/88/46/61/551884661.db2.gz IHLZYZALTVTDAG-ZBFHGGJFSA-N 1 0 353.260 2.033 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)NCC2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000286500174 551893384 /nfs/dbraw/zinc/89/33/84/551893384.db2.gz DHUJUKZXYLPLOE-UHFFFAOYSA-N 1 0 359.451 2.342 20 30 FEEDRO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCC[C@](F)(CO)C1 ZINC000286737334 551920519 /nfs/dbraw/zinc/92/05/19/551920519.db2.gz DIQSEFMIQHKGQG-RDTXWAMCSA-N 1 0 351.397 2.257 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[C@@H](Cc3ccccc3)C2)CC1 ZINC000286735227 551920535 /nfs/dbraw/zinc/92/05/35/551920535.db2.gz RTPXBSUUZRYPEA-AZUAARDMSA-N 1 0 369.509 2.281 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCc3ccccc3[C@@H]2C)CC1 ZINC000286806896 551928098 /nfs/dbraw/zinc/92/80/98/551928098.db2.gz VIRFMUWSXHQANC-INIZCTEOSA-N 1 0 355.482 2.289 20 30 FEEDRO COCC[NH+](CCOC)C1CCN(C(=O)Nc2ccc(CC#N)cc2)CC1 ZINC000286934393 551942226 /nfs/dbraw/zinc/94/22/26/551942226.db2.gz GLFJDGGDYBNOMN-UHFFFAOYSA-N 1 0 374.485 2.344 20 30 FEEDRO N#CC1(C(=O)N2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)CCCC1 ZINC000287198102 551975278 /nfs/dbraw/zinc/97/52/78/551975278.db2.gz HZNCBHDTBFIDMG-FQEVSTJZSA-N 1 0 366.509 2.489 20 30 FEEDRO CCCN(CC[NH+]1CCCCC1)C(=O)C(=O)Nc1cc(C#N)ccc1OC ZINC000288307487 552130161 /nfs/dbraw/zinc/13/01/61/552130161.db2.gz YXRCXMUVNKHCHI-UHFFFAOYSA-N 1 0 372.469 2.230 20 30 FEEDRO C=CCN1CC[C@H](N(CCO)Cc2ccc(Br)s2)C1=O ZINC000499717951 561556756 /nfs/dbraw/zinc/55/67/56/561556756.db2.gz IVTNCXRUZBYVAZ-LBPRGKRZSA-N 1 0 359.289 2.092 20 30 FEEDRO C#C[C@@H](NC(=O)C(=O)Nc1ccc(C)cc1OCC[NH+](C)C)C(C)(C)C ZINC000288436470 552153341 /nfs/dbraw/zinc/15/33/41/552153341.db2.gz PDPIPFQCFJTUDH-QGZVFWFLSA-N 1 0 359.470 2.038 20 30 FEEDRO COCCOCCN(C)CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1 ZINC000289005941 552251050 /nfs/dbraw/zinc/25/10/50/552251050.db2.gz MUINPBGVXVMTKJ-UHFFFAOYSA-N 1 0 367.877 2.490 20 30 FEEDRO CN(CCC#N)C(=O)CC[NH2+][C@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000289452014 552324002 /nfs/dbraw/zinc/32/40/02/552324002.db2.gz UVYIYQQQWCLQFI-FUHWJXTLSA-N 1 0 350.413 2.062 20 30 FEEDRO N#Cc1ccc(OCC[N@H+]2CCC[C@H](CNC(=O)C(F)(F)F)C2)cc1 ZINC000289495633 552331120 /nfs/dbraw/zinc/33/11/20/552331120.db2.gz PNUFCOSPPJYACO-CQSZACIVSA-N 1 0 355.360 2.328 20 30 FEEDRO CN(C)CC[N@H+](C)CCCNC(=O)CCCCOc1cccc(C#N)c1 ZINC000290000506 552412440 /nfs/dbraw/zinc/41/24/40/552412440.db2.gz DWROAWNBMHTHBD-UHFFFAOYSA-N 1 0 360.502 2.107 20 30 FEEDRO Cc1cccnc1[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)C(C)C ZINC000290021281 552415337 /nfs/dbraw/zinc/41/53/37/552415337.db2.gz STRCNPJTCQODCD-KRWDZBQOSA-N 1 0 358.467 2.417 20 30 FEEDRO COc1ccc(CN2CC[C@@H]([NH2+]Cc3ccc(C#N)cc3)C2=O)c(OC)c1 ZINC000290105980 552428193 /nfs/dbraw/zinc/42/81/93/552428193.db2.gz KPEUZVUMTSJTIU-LJQANCHMSA-N 1 0 365.433 2.466 20 30 FEEDRO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccc(C#N)c(F)c1)C1CCCCC1 ZINC000290317555 552459390 /nfs/dbraw/zinc/45/93/90/552459390.db2.gz VEYCMGURXUURHV-KRWDZBQOSA-N 1 0 360.433 2.263 20 30 FEEDRO CCCN1Cc2cccc(NC(=O)C(=O)Nc3ccn(CCC#N)n3)c2C1 ZINC000290468045 552483557 /nfs/dbraw/zinc/48/35/57/552483557.db2.gz KZTGTVZGIZKEJJ-UHFFFAOYSA-N 1 0 366.425 2.100 20 30 FEEDRO C=C[C@H](CO)NC(=O)Nc1ccc(OC)c(OCC[NH+](CC)CC)c1 ZINC000290602794 552505087 /nfs/dbraw/zinc/50/50/87/552505087.db2.gz YTQLOYOJGDJKEI-CQSZACIVSA-N 1 0 351.447 2.084 20 30 FEEDRO CC[N@H+](C)Cc1cccc(CNC(=O)C(=O)Nc2ccc(C#N)c(F)c2)c1 ZINC000290847096 552548564 /nfs/dbraw/zinc/54/85/64/552548564.db2.gz QUKPMFJSFZSZLL-UHFFFAOYSA-N 1 0 368.412 2.404 20 30 FEEDRO C=CCN(C[C@@H](O)c1ccc(C(F)(F)F)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000291178962 552596687 /nfs/dbraw/zinc/59/66/87/552596687.db2.gz NZWLDMPZBADBDJ-LSDHHAIUSA-N 1 0 363.401 2.414 20 30 FEEDRO C[C@@H](NC(=O)C(=O)Nc1ccc(C#N)c(F)c1)[C@H](c1ccccc1)[NH+](C)C ZINC000291247206 552605805 /nfs/dbraw/zinc/60/58/05/552605805.db2.gz JRDVGEPCOIGATQ-FZKQIMNGSA-N 1 0 368.412 2.443 20 30 FEEDRO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCC(F)(F)[C@H](CO)C2)c(OC)c1 ZINC000291777285 552660612 /nfs/dbraw/zinc/66/06/12/552660612.db2.gz MADLDYICQQIURR-JKSUJKDBSA-N 1 0 371.424 2.113 20 30 FEEDRO C[N@@H+]1CC[C@]2(CCN(C(=O)C3CCN(c4ccc(C#N)cc4F)CC3)C2)C1 ZINC000292074539 552691023 /nfs/dbraw/zinc/69/10/23/552691023.db2.gz BVTAHGCYQLOHLT-NRFANRHFSA-N 1 0 370.472 2.468 20 30 FEEDRO N#Cc1ccc(CN2CCC[N@@H+](C[C@@H](O)COCC(F)(F)F)CC2)cc1 ZINC000292545632 552736985 /nfs/dbraw/zinc/73/69/85/552736985.db2.gz WWBPVPJILQGEKI-QGZVFWFLSA-N 1 0 371.403 2.006 20 30 FEEDRO C[N@@H+]1CCC[C@]2(CCN(S(=O)(=O)c3cc(C#N)ccc3Cl)C2)C1 ZINC000292727133 552753113 /nfs/dbraw/zinc/75/31/13/552753113.db2.gz GGFBOEVJJFLGRF-INIZCTEOSA-N 1 0 353.875 2.318 20 30 FEEDRO COCCC[NH+]1CCC(NC(=O)c2cnc(C(F)(F)F)c(C#N)c2)CC1 ZINC000293001486 552779122 /nfs/dbraw/zinc/77/91/22/552779122.db2.gz CYIFOORJBLHXHX-UHFFFAOYSA-N 1 0 370.375 2.203 20 30 FEEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)NC[C@H](C)C[NH+](C)C ZINC000293311723 552810461 /nfs/dbraw/zinc/81/04/61/552810461.db2.gz XHJHYTIEEODWHO-UONOGXRCSA-N 1 0 362.499 2.333 20 30 FEEDRO C[C@@H]1CN(CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C[C@H](C)[N@H+]1C ZINC000293352913 552814687 /nfs/dbraw/zinc/81/46/87/552814687.db2.gz HXRQUUABXQBYRB-GASCZTMLSA-N 1 0 367.415 2.198 20 30 FEEDRO Cc1ccc(C#N)cc1NC(=O)C(=O)N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC000293522225 552832237 /nfs/dbraw/zinc/83/22/37/552832237.db2.gz YMWYQDMSJWHHBW-AWEZNQCLSA-N 1 0 354.454 2.138 20 30 FEEDRO C[C@@H](NC(=O)C(=O)Nc1sccc1C#N)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000293903307 552866461 /nfs/dbraw/zinc/86/64/61/552866461.db2.gz WNMCOCTVIUJLLN-TZMCWYRMSA-N 1 0 360.483 2.327 20 30 FEEDRO CN(C)C(=O)O[C@@H]1CC[N@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000295096802 552958838 /nfs/dbraw/zinc/95/88/38/552958838.db2.gz JWSBDILYIOSYJR-QGZVFWFLSA-N 1 0 353.426 2.231 20 30 FEEDRO CC(C)C[N@@H+]1CCC[C@@H](CNS(=O)(=O)Cc2ccc(F)cc2C#N)C1 ZINC000295209867 552970215 /nfs/dbraw/zinc/97/02/15/552970215.db2.gz UNECBBHLOHCVCC-HNNXBMFYSA-N 1 0 367.490 2.485 20 30 FEEDRO CN(CCC#N)C(=O)CC[N@H+](C)C[C@@H](O)c1ccccc1Br ZINC000295256325 552976723 /nfs/dbraw/zinc/97/67/23/552976723.db2.gz GKHWWDCBKAABBQ-OAHLLOKOSA-N 1 0 368.275 2.176 20 30 FEEDRO N#Cc1ccc(C[NH2+]C[C@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)cc1 ZINC000502035514 561610578 /nfs/dbraw/zinc/61/05/78/561610578.db2.gz XCBFZWJROUVXSN-SFTDATJTSA-N 1 0 360.461 2.247 20 30 FEEDRO N#C[C@@]1(C(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)CC12CCCC2 ZINC000295721266 553050092 /nfs/dbraw/zinc/05/00/92/553050092.db2.gz UHLPLUINPDKFHO-WIYYLYMNSA-N 1 0 353.466 2.343 20 30 FEEDRO C=C(C)CN(C)C(=O)C(=O)NC1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000502299312 561615773 /nfs/dbraw/zinc/61/57/73/561615773.db2.gz WREXTRRAGNZANU-IRXDYDNUSA-N 1 0 357.498 2.294 20 30 FEEDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000502835791 561627099 /nfs/dbraw/zinc/62/70/99/561627099.db2.gz HMZASVBZGJGIOR-CVEARBPZSA-N 1 0 362.861 2.091 20 30 FEEDRO Cc1nsc(NC(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)c1C#N ZINC000297402601 553288097 /nfs/dbraw/zinc/28/80/97/553288097.db2.gz KNXLRLVJOHVCOQ-HUUCEWRRSA-N 1 0 363.487 2.213 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)N1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 ZINC000297484323 553298286 /nfs/dbraw/zinc/29/82/86/553298286.db2.gz MUUIWYAKUJCMPE-VAMGGRTRSA-N 1 0 355.482 2.156 20 30 FEEDRO C=CCN(Cc1ccccc1)C(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000297684414 553324570 /nfs/dbraw/zinc/32/45/70/553324570.db2.gz BAQDDYBKABNOTF-MOPGFXCFSA-N 1 0 355.482 2.144 20 30 FEEDRO C=CCN(CCc1ccco1)C(=O)C(=O)N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000297803675 553340921 /nfs/dbraw/zinc/34/09/21/553340921.db2.gz OZGDZGJZVAZLMJ-KRWDZBQOSA-N 1 0 361.486 2.027 20 30 FEEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000298280358 553407475 /nfs/dbraw/zinc/40/74/75/553407475.db2.gz HMEKUURJAUVQFX-UHFFFAOYSA-N 1 0 373.497 2.153 20 30 FEEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CC[C@H](C[N@H+](C)CC)C1 ZINC000298504693 553433581 /nfs/dbraw/zinc/43/35/81/553433581.db2.gz YNTVECPKNLTXAP-LJQANCHMSA-N 1 0 370.497 2.097 20 30 FEEDRO N#Cc1ccc(-n2ccc(NC(=O)N3C[C@H]4CC[C@@H](C3)[NH2+]4)n2)c(Cl)c1 ZINC000601563359 553436067 /nfs/dbraw/zinc/43/60/67/553436067.db2.gz HALKIAGJJYCLPQ-BETUJISGSA-N 1 0 356.817 2.365 20 30 FEEDRO COc1cc(NC(=O)CO[NH+]=C(N)c2ccc(N(C)C)cc2)cc(OC)c1 ZINC000298937270 553492104 /nfs/dbraw/zinc/49/21/04/553492104.db2.gz CFPUGPKSBHPURD-UHFFFAOYSA-N 1 0 372.425 2.045 20 30 FEEDRO C=CCN(CCc1ccccc1)C(=O)C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000299179181 553525956 /nfs/dbraw/zinc/52/59/56/553525956.db2.gz PJTBQWIRTMGHAI-LJQANCHMSA-N 1 0 357.498 2.044 20 30 FEEDRO N#CC1(C(=O)Nc2ccc(C[N@H+]3CCC[C@H](C(N)=O)C3)cc2)CCCC1 ZINC000299646365 553595320 /nfs/dbraw/zinc/59/53/20/553595320.db2.gz UKCNNSVNVDGTGW-INIZCTEOSA-N 1 0 354.454 2.406 20 30 FEEDRO CC(C)[C@@H](CNc1ccc(S(N)(=O)=O)cc1C#N)[NH+]1CCC(C)CC1 ZINC000301342888 553644028 /nfs/dbraw/zinc/64/40/28/553644028.db2.gz JJKVETURVHQCCG-GOSISDBHSA-N 1 0 364.515 2.374 20 30 FEEDRO Cc1cc(NC(=O)NC2CC[NH+](Cc3ccncc3)CC2)ncc1C#N ZINC000603120438 553712659 /nfs/dbraw/zinc/71/26/59/553712659.db2.gz PYSQWWKWAGFXOD-UHFFFAOYSA-N 1 0 350.426 2.443 20 30 FEEDRO Cc1nnc(N(C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c(C#N)c1C ZINC000302477322 553717873 /nfs/dbraw/zinc/71/78/73/553717873.db2.gz VPKWWSWMBBYQMG-HXUWFJFHSA-N 1 0 351.454 2.038 20 30 FEEDRO N#Cc1cc(NCCC[NH+]2CCC(O)CC2)nc2ccc([N+](=O)[O-])cc12 ZINC000302630330 553723612 /nfs/dbraw/zinc/72/36/12/553723612.db2.gz GMEXFCMSZGFAOR-UHFFFAOYSA-N 1 0 355.398 2.273 20 30 FEEDRO COc1ccc(NC(=[NH2+])NCc2cccc(-c3nc[nH]n3)c2)cc1OC ZINC000304764011 553747704 /nfs/dbraw/zinc/74/77/04/553747704.db2.gz XKHBNVYJFVSWKS-UHFFFAOYSA-N 1 0 352.398 2.416 20 30 FEEDRO N#Cc1cccc(S(=O)(=O)CCN2CCC([NH+]3CCCCC3)CC2)c1 ZINC000327096508 553785713 /nfs/dbraw/zinc/78/57/13/553785713.db2.gz APYLXAQHSOEFKB-UHFFFAOYSA-N 1 0 361.511 2.282 20 30 FEEDRO CC[NH+](CC)[C@@H](CNS(=O)(=O)c1cncc(C#N)c1)c1ccccc1 ZINC000327705212 553790874 /nfs/dbraw/zinc/79/08/74/553790874.db2.gz PEZGFDYIQQMGQU-SFHVURJKSA-N 1 0 358.467 2.315 20 30 FEEDRO CCC[NH+]1CCC(NC(=O)Nc2nc(CN3CCOCC3)cs2)CC1 ZINC000328726231 553813134 /nfs/dbraw/zinc/81/31/34/553813134.db2.gz BUHPSKOENYPYCA-UHFFFAOYSA-N 1 0 367.519 2.176 20 30 FEEDRO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)N3CC(=O)N(C)[C@@H](C)C3)cc2)C1 ZINC000328734071 553814009 /nfs/dbraw/zinc/81/40/09/553814009.db2.gz YIEYATNAXHOGIZ-SJORKVTESA-N 1 0 372.513 2.495 20 30 FEEDRO O=C(N[C@H]1CCCC12CCOCC2)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000328764437 553818756 /nfs/dbraw/zinc/81/87/56/553818756.db2.gz DSTAFISKFFESOU-ROUUACIJSA-N 1 0 365.518 2.294 20 30 FEEDRO Cc1ccccc1C(=O)NC1CCN(C(=O)C[N@@H+]2CCCO[C@@H](C)C2)CC1 ZINC000328802063 553824815 /nfs/dbraw/zinc/82/48/15/553824815.db2.gz AQNIGBSYSUUDQP-KRWDZBQOSA-N 1 0 373.497 2.401 20 30 FEEDRO CC[C@@H]1CN(C(=O)N[C@@H]2CCCC23CCOCC3)CC[N@@H+]1C[C@@H](C)O ZINC000328822166 553827931 /nfs/dbraw/zinc/82/79/31/553827931.db2.gz RKHPYZBBZTZSLF-BRWVUGGUSA-N 1 0 353.507 2.027 20 30 FEEDRO C[C@H](NC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(-n2ccnn2)cc1 ZINC000328866784 553835603 /nfs/dbraw/zinc/83/56/03/553835603.db2.gz NYELPRXASZBICJ-BMGDILEWSA-N 1 0 354.458 2.459 20 30 FEEDRO C[NH+]1CCC([C@@H]2CCN(C(=O)N[C@H]3CCN(c4ccccn4)C3)C2)CC1 ZINC000328879478 553837347 /nfs/dbraw/zinc/83/73/47/553837347.db2.gz VFDSNYNTJDUALJ-MSOLQXFVSA-N 1 0 357.502 2.238 20 30 FEEDRO C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)[C@@H]3COCCN3C)cc2)C[C@H](C)O1 ZINC000328930247 553846927 /nfs/dbraw/zinc/84/69/27/553846927.db2.gz HJJACPLDGLZFKZ-FCEWJHQRSA-N 1 0 361.486 2.083 20 30 FEEDRO C[NH+](C)C1(CNC(=O)N2CCC[C@@H]2[C@@H]2COCC[C@@]2(C)O)CCCC1 ZINC000328936114 553848411 /nfs/dbraw/zinc/84/84/11/553848411.db2.gz CODSTHPSRRGWBP-LZLYRXPVSA-N 1 0 353.507 2.027 20 30 FEEDRO CC[NH+]1CCN([C@@H](C)CNC(=O)[C@@H]2CN(c3ccccn3)C[C@H]2C)CC1 ZINC000328959232 553853261 /nfs/dbraw/zinc/85/32/61/553853261.db2.gz JYSFNHXMDXUUOS-FGTMMUONSA-N 1 0 359.518 2.136 20 30 FEEDRO C[C@H](C(=O)Nc1nccs1)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000328975994 553856987 /nfs/dbraw/zinc/85/69/87/553856987.db2.gz WHNGOZDELLMCGY-KFWWJZLASA-N 1 0 351.520 2.077 20 30 FEEDRO COc1ccc2c(c1)OC[C@H](NC(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1)C2 ZINC000329005345 553862784 /nfs/dbraw/zinc/86/27/84/553862784.db2.gz MPPPHKLDPPOPJY-DOTOQJQBSA-N 1 0 361.486 2.480 20 30 FEEDRO O=C(CNC(=O)c1ccc2c(c1)OCO2)N1CCC[N@H+](CC2CCC2)CC1 ZINC000329003634 553862818 /nfs/dbraw/zinc/86/28/18/553862818.db2.gz LWXSSCVLFQGMRX-UHFFFAOYSA-N 1 0 373.453 2.054 20 30 FEEDRO Cn1nccc1[C@@H]1[C@H](C(=O)NCC2([NH+](C)C)CCC2)CCC(=O)N1C1CC1 ZINC000329006559 553863275 /nfs/dbraw/zinc/86/32/75/553863275.db2.gz NBAZZCFZBHZZJX-QAPCUYQASA-N 1 0 373.501 2.303 20 30 FEEDRO Cc1nnc2n1C[C@H](CNC(=O)NC1CC[NH+](CC3CCCC3)CC1)CC2 ZINC000329014014 553864395 /nfs/dbraw/zinc/86/43/95/553864395.db2.gz JFIQTDBORIRKFK-KRWDZBQOSA-N 1 0 374.533 2.307 20 30 FEEDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@H]1CCCS(=O)(=O)C1 ZINC000329046788 553871471 /nfs/dbraw/zinc/87/14/71/553871471.db2.gz VETVPUIARRSWSA-HYVNUMGLSA-N 1 0 350.484 2.288 20 30 FEEDRO C[C@H](C[NH+]1CCCCC1)NC(=O)N1CCC[C@@H]1[C@@H]1COCC[C@@]1(C)O ZINC000329066221 553874455 /nfs/dbraw/zinc/87/44/55/553874455.db2.gz WMHIYEARLXDDMZ-SFNKJDCFSA-N 1 0 353.507 2.027 20 30 FEEDRO C[C@@H]1C[N@@H+](CCC2CCN(C(=O)NCc3ccn(C)n3)CC2)C[C@H](C)O1 ZINC000329070677 553875015 /nfs/dbraw/zinc/87/50/15/553875015.db2.gz YOEFRBRFEOZYAG-IYBDPMFKSA-N 1 0 363.506 2.045 20 30 FEEDRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)[C@H]1CCCN1S(=O)(=O)c1ccccc1 ZINC000329081664 553876949 /nfs/dbraw/zinc/87/69/49/553876949.db2.gz RVVUGBYNZJYIQY-WMLDXEAASA-N 1 0 363.483 2.033 20 30 FEEDRO CS[C@@H]1CN(C(=O)Nc2ccc3c(c2F)CCNC3=O)C[C@@H]1[NH+](C)C ZINC000329098377 553880160 /nfs/dbraw/zinc/88/01/60/553880160.db2.gz YSRNCSPUDOMJAZ-UONOGXRCSA-N 1 0 366.462 2.209 20 30 FEEDRO Cc1cc(C(=O)N(C)CC2CC[NH+](C)CC2)nn1-c1cccc(C#N)c1 ZINC000506212335 561693284 /nfs/dbraw/zinc/69/32/84/561693284.db2.gz YCOOCTASKOFENJ-UHFFFAOYSA-N 1 0 351.454 2.466 20 30 FEEDRO Cc1nn(C)c(C)c1[C@@H]1COCCN1C(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000329156931 553891553 /nfs/dbraw/zinc/89/15/53/553891553.db2.gz WAJJASUINVUYCC-PBHICJAKSA-N 1 0 363.506 2.199 20 30 FEEDRO C[C@H](Oc1ccccc1F)C(=O)NC1CC[NH+]([C@H]2CCN(C)C2=O)CC1 ZINC000329161424 553892319 /nfs/dbraw/zinc/89/23/19/553892319.db2.gz FQGSLOLLFRKTEH-BBRMVZONSA-N 1 0 363.433 2.245 20 30 FEEDRO CC(C)N1C(=O)N[C@@H]2CN(C(=O)NCC3(C[NH+](C)C)CCCC3)CC[C@@H]21 ZINC000329161917 553892985 /nfs/dbraw/zinc/89/29/85/553892985.db2.gz FPPSECDXRRMIMM-CVEARBPZSA-N 1 0 365.522 2.103 20 30 FEEDRO CSc1ccsc1C(=O)NC1CC[NH+]([C@@H]2CCN(C)C2=O)CC1 ZINC000329167858 553893827 /nfs/dbraw/zinc/89/38/27/553893827.db2.gz IVNGUZFUOBNXCH-GFCCVEGCSA-N 1 0 353.513 2.470 20 30 FEEDRO CSc1ccsc1C(=O)NC1CC[NH+]([C@H]2CCN(C)C2=O)CC1 ZINC000329167859 553894146 /nfs/dbraw/zinc/89/41/46/553894146.db2.gz IVNGUZFUOBNXCH-LBPRGKRZSA-N 1 0 353.513 2.470 20 30 FEEDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000329171203 553894290 /nfs/dbraw/zinc/89/42/90/553894290.db2.gz JYHYJJPTGOHTCZ-BQJWPVKWSA-N 1 0 363.502 2.485 20 30 FEEDRO CN1CC[C@@H]([NH+]2CCC(NC(=O)c3c[nH]nc3-c3ccccc3)CC2)C1=O ZINC000329169644 553894346 /nfs/dbraw/zinc/89/43/46/553894346.db2.gz JSLCBFWTJNNGHJ-QGZVFWFLSA-N 1 0 367.453 2.076 20 30 FEEDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1OCC(=O)N(C)[C@@H]1c1ccccc1 ZINC000329180513 553896743 /nfs/dbraw/zinc/89/67/43/553896743.db2.gz DMJINVJVZXFASD-QXAKKESOSA-N 1 0 359.470 2.416 20 30 FEEDRO CN1CC[C@@H]([NH+]2CCC(NC(=O)c3cncc4ccccc43)CC2)C1=O ZINC000329193365 553899357 /nfs/dbraw/zinc/89/93/57/553899357.db2.gz SKDYUIUOMPDLTB-GOSISDBHSA-N 1 0 352.438 2.235 20 30 FEEDRO CN1CC[C@H]([NH+]2CCC(NC(=O)c3cncc4ccccc43)CC2)C1=O ZINC000329193367 553899538 /nfs/dbraw/zinc/89/95/38/553899538.db2.gz SKDYUIUOMPDLTB-SFHVURJKSA-N 1 0 352.438 2.235 20 30 FEEDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000329201882 553900816 /nfs/dbraw/zinc/90/08/16/553900816.db2.gz CAIMTPQTFLVNRP-IAGOWNOFSA-N 1 0 365.522 2.045 20 30 FEEDRO C[NH+](C)[C@H](CNC(=O)N1CCC[C@@H]1[C@@H]1COCC[C@@H]1O)c1cccs1 ZINC000329203591 553901551 /nfs/dbraw/zinc/90/15/51/553901551.db2.gz CSXJMJWORQIQKN-JJXSEGSLSA-N 1 0 367.515 2.127 20 30 FEEDRO CC(C)CNC(=O)N1CCC[C@H](CC(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)C1 ZINC000329205108 553902039 /nfs/dbraw/zinc/90/20/39/553902039.db2.gz DGUYKRJKXXHXSA-XLIONFOSSA-N 1 0 364.534 2.213 20 30 FEEDRO CC(=O)NC[C@@H]1CCn2ncc(C(=O)N3C[C@H]([NH+]4CCCC4)C[C@@H]3C)c2C1 ZINC000329224061 553905912 /nfs/dbraw/zinc/90/59/12/553905912.db2.gz YZXJNPJBYRJZBP-USXIJHARSA-N 1 0 373.501 2.121 20 30 FEEDRO COc1cnc(NC(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)s1 ZINC000329230998 553907506 /nfs/dbraw/zinc/90/75/06/553907506.db2.gz DXCVDGNSJRUDCS-CHWSQXEVSA-N 1 0 354.476 2.246 20 30 FEEDRO CC(C)C(=O)Nc1nc(CC(=O)NC[C@H]2C[N@H+](C)CCN2C)cs1 ZINC000329244142 553909805 /nfs/dbraw/zinc/90/98/05/553909805.db2.gz UGMBAZSHHDUNAD-ZDUSSCGKSA-N 1 0 353.492 2.132 20 30 FEEDRO Cc1cc(NC(=O)N2C[C@@H]3[C@H](C2)OCCN3C)cnc1N1CCCC[C@H]1C ZINC000329249230 553910588 /nfs/dbraw/zinc/91/05/88/553910588.db2.gz AREYQKYKHFQLMZ-NXHRZFHOSA-N 1 0 373.501 2.329 20 30 FEEDRO CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H](n3ncc4ccccc43)C2)C1 ZINC000329261869 553912727 /nfs/dbraw/zinc/91/27/27/553912727.db2.gz BBGWOKMEHROVRU-QZTJIDSGSA-N 1 0 369.469 2.251 20 30 FEEDRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)N1CCC(c2nnc3ccccn32)CC1 ZINC000329286034 553917753 /nfs/dbraw/zinc/91/77/53/553917753.db2.gz GQMSTQBCASSJQT-HNNXBMFYSA-N 1 0 354.458 2.059 20 30 FEEDRO C[C@H](NC(=O)N[C@H]1CCc2nc(C(C)(C)C)cn2C1)C(=O)N1CCCC1 ZINC000329289711 553918697 /nfs/dbraw/zinc/91/86/97/553918697.db2.gz AGNGOYPQVHXIBO-KBPBESRZSA-N 1 0 361.490 2.010 20 30 FEEDRO O=C(CNC(=O)c1ccc(F)cc1F)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000329296897 553919630 /nfs/dbraw/zinc/91/96/30/553919630.db2.gz OXYRPZYTJDKWFV-AWEZNQCLSA-N 1 0 351.397 2.356 20 30 FEEDRO CC(=O)Nc1ncc(S(=O)(=O)NC2CC[NH+](C3CCCC3)CC2)s1 ZINC000329311309 553923049 /nfs/dbraw/zinc/92/30/49/553923049.db2.gz ZPPNSTDIUHHPMF-UHFFFAOYSA-N 1 0 372.516 2.436 20 30 FEEDRO Cc1cc(C(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)nn1-c1cccc(C#N)c1 ZINC000506489077 561700070 /nfs/dbraw/zinc/70/00/70/561700070.db2.gz ULMPXMZLXKOXGG-QGZVFWFLSA-N 1 0 351.454 2.466 20 30 FEEDRO Cc1noc([C@H](NC(=O)N2CC[N@@H+](C)C[C@@H]2C(C)C)C2CCOCC2)n1 ZINC000329364552 553933099 /nfs/dbraw/zinc/93/30/99/553933099.db2.gz GAUZRYYBCCTVMQ-HZPDHXFCSA-N 1 0 365.478 2.032 20 30 FEEDRO Cc1nc([C@H]2CCCN2C(=O)NC2CC[NH+](Cc3ccccn3)CC2)no1 ZINC000329397714 553938499 /nfs/dbraw/zinc/93/84/99/553938499.db2.gz VAPLAGMFHRDRJD-QGZVFWFLSA-N 1 0 370.457 2.489 20 30 FEEDRO C[C@H](NC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)C(=O)N1CCCC[C@@H]1C ZINC000329409601 553941278 /nfs/dbraw/zinc/94/12/78/553941278.db2.gz AGRNZLLNWRKKKI-UIJGJVKASA-N 1 0 350.507 2.247 20 30 FEEDRO Cc1nc([C@@H]2CCCN(CC(=O)Nc3ccc4c(c3)OCCO4)C2)n[nH]1 ZINC000329411114 553941311 /nfs/dbraw/zinc/94/13/11/553941311.db2.gz BRHPROPZKAYZEJ-CYBMUJFWSA-N 1 0 357.414 2.352 20 30 FEEDRO CC[NH+]1CCC(NC(=O)N(CC(=O)N2CCCCCC2)C(C)C)CC1 ZINC000329429021 553945256 /nfs/dbraw/zinc/94/52/56/553945256.db2.gz HTTFROYTKXERKG-UHFFFAOYSA-N 1 0 352.523 2.498 20 30 FEEDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)N[C@H]2CC(=O)N(C3CCCCC3)C2)C1 ZINC000329436687 553946666 /nfs/dbraw/zinc/94/66/66/553946666.db2.gz LXWVFWSPEVFGSE-SOLBZPMBSA-N 1 0 362.518 2.250 20 30 FEEDRO C[NH+](C)CC1(CNC(=O)N[C@@H]2CCOC3(CCOCC3)C2)CCCC1 ZINC000329440272 553947434 /nfs/dbraw/zinc/94/74/34/553947434.db2.gz ACSJHXAATMBGLW-MRXNPFEDSA-N 1 0 353.507 2.340 20 30 FEEDRO CC[N@@H+]1CCC[C@@H](CN(C)C(=O)c2cc(C#N)ccn2)[C@@H]1c1cnn(C)c1 ZINC000506664826 561705370 /nfs/dbraw/zinc/70/53/70/561705370.db2.gz SRXWAEDZMSDKTK-QFBILLFUSA-N 1 0 366.469 2.232 20 30 FEEDRO C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000329455755 553950170 /nfs/dbraw/zinc/95/01/70/553950170.db2.gz MRDMQQHEGKSZKM-ZIAGYGMSSA-N 1 0 365.861 2.370 20 30 FEEDRO CN(C)C(=O)[C@H]1CC[C@@H](C(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)O1 ZINC000329480389 553954513 /nfs/dbraw/zinc/95/45/13/553954513.db2.gz CYBDDJVSXKGJCG-IXDOHACOSA-N 1 0 351.491 2.376 20 30 FEEDRO C[NH+](C)C1(CNC(=O)N2CCC(Nc3cccnn3)CC2)CCCCCC1 ZINC000329497595 553958212 /nfs/dbraw/zinc/95/82/12/553958212.db2.gz GLRKVSDNWDXHSB-UHFFFAOYSA-N 1 0 374.533 2.922 20 30 FEEDRO CC(C)CNC(=O)N1CCC[C@H](CC(=O)N(C)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC000329593714 553973925 /nfs/dbraw/zinc/97/39/25/553973925.db2.gz USXXOHLVQUAPJE-SJLPKXTDSA-N 1 0 364.534 2.211 20 30 FEEDRO C[C@H](NC(=O)N[C@@H]1CCN(c2ncccc2Cl)C1)C1=CC[N@H+](C)CC1 ZINC000329707906 553993200 /nfs/dbraw/zinc/99/32/00/553993200.db2.gz LWBKMTMQJQGMEV-DZGCQCFKSA-N 1 0 363.893 2.468 20 30 FEEDRO CCn1c(=O)[nH]c2cc(C(=O)N[C@H](C)C3=CC[N@H+](C)CC3)ccc2c1=O ZINC000329715215 553994312 /nfs/dbraw/zinc/99/43/12/553994312.db2.gz URPXVSNWXSSIIF-GFCCVEGCSA-N 1 0 356.426 2.077 20 30 FEEDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCC(=O)N(C)C1CCCCC1 ZINC000329770936 554003013 /nfs/dbraw/zinc/00/30/13/554003013.db2.gz JFKXUJXGISEXLB-SJORKVTESA-N 1 0 350.507 2.250 20 30 FEEDRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@H]1CCCN(c2ccc(C)nn2)C1 ZINC000329772794 554003508 /nfs/dbraw/zinc/00/35/08/554003508.db2.gz KYUJWADQQCMNFP-RCCFBDPRSA-N 1 0 372.517 2.226 20 30 FEEDRO CC(C)CC[NH+]1CCC(CNC(=O)N2C[C@H](C)S(=O)(=O)[C@@H](C)C2)CC1 ZINC000329838068 554015882 /nfs/dbraw/zinc/01/58/82/554015882.db2.gz VPNPWVRHNINLBN-HOTGVXAUSA-N 1 0 373.563 2.166 20 30 FEEDRO O=C(NCCc1cn2c(n1)SCC2)N1CC[NH+](C2CCCCC2)CC1 ZINC000329840537 554016584 /nfs/dbraw/zinc/01/65/84/554016584.db2.gz JQWXIPGBTPINAT-UHFFFAOYSA-N 1 0 363.531 2.396 20 30 FEEDRO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)Nc1ccc(F)c(-n2nnnc2C2CC2)c1 ZINC000329852357 554019035 /nfs/dbraw/zinc/01/90/35/554019035.db2.gz RJWJEAOVGGYLFD-RYUDHWBXSA-N 1 0 373.436 2.249 20 30 FEEDRO CN1CCO[C@@H](C(=O)Nc2ccccc2C[N@@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000329858652 554020346 /nfs/dbraw/zinc/02/03/46/554020346.db2.gz OEIISPCUCMAKIG-NVXWUHKLSA-N 1 0 360.458 2.352 20 30 FEEDRO CC[C@@H]1CC[C@@H](C)N1C(=O)Nc1ccnc(C(=O)N2CCN(C)CC2)c1 ZINC000329860320 554020406 /nfs/dbraw/zinc/02/04/06/554020406.db2.gz XGKOEVLDZOTRJN-GDBMZVCRSA-N 1 0 359.474 2.278 20 30 FEEDRO O=C(NCCc1cn2c(n1)SCC2)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000329865004 554021331 /nfs/dbraw/zinc/02/13/31/554021331.db2.gz TVSJKLAOHMNOGY-HNNXBMFYSA-N 1 0 350.488 2.131 20 30 FEEDRO CO[C@H]1C[C@H](C(=O)NCC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)N(C(C)=O)C1 ZINC000329870724 554022387 /nfs/dbraw/zinc/02/23/87/554022387.db2.gz AFNFVDAWSQOLBS-TXCZRRACSA-N 1 0 353.507 2.335 20 30 FEEDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCO[C@@H](c2nnc(C(C)C)o2)C1 ZINC000329923100 554032554 /nfs/dbraw/zinc/03/25/54/554032554.db2.gz GUNKZXZCAZQDMX-HUUCEWRRSA-N 1 0 365.478 2.355 20 30 FEEDRO CN1CCO[C@@H]2C[N@H+](CCC(=O)Nc3sc4c(c3C#N)CCCC4)C[C@@H]21 ZINC000329927407 554033448 /nfs/dbraw/zinc/03/34/48/554033448.db2.gz LNXAYIMVPAYOAJ-JKSUJKDBSA-N 1 0 374.510 2.491 20 30 FEEDRO N#Cc1ccccc1N1CCCN(C([O-])=[NH+][C@@H]2CCn3ccnc3C2)CC1 ZINC000329956530 554038569 /nfs/dbraw/zinc/03/85/69/554038569.db2.gz LHKYAQCQBWFKIJ-QGZVFWFLSA-N 1 0 364.453 2.196 20 30 FEEDRO O=C(N[C@@H]1CCC[C@@H]2OCC[C@H]21)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000329966135 554040584 /nfs/dbraw/zinc/04/05/84/554040584.db2.gz RONZFPXTDKVVDP-OTWHNJEPSA-N 1 0 365.518 2.292 20 30 FEEDRO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC[C@@H]1C[C@H](F)CN1Cc1cnn(C)c1 ZINC000329977871 554042888 /nfs/dbraw/zinc/04/28/88/554042888.db2.gz GNKOJYUNVVRUAR-JHNDHUHGSA-N 1 0 351.470 2.162 20 30 FEEDRO CN1CCC(CNC(=O)NCCc2ccncc2)([NH+]2CCCCC2)CC1 ZINC000330010636 554049166 /nfs/dbraw/zinc/04/91/66/554049166.db2.gz IFFDYFYOQHBOCG-UHFFFAOYSA-N 1 0 359.518 2.078 20 30 FEEDRO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cccc(-n2cnc(N(C)C)n2)c1 ZINC000330018080 554049995 /nfs/dbraw/zinc/04/99/95/554049995.db2.gz SFGGTZWHMWGTNK-WMLDXEAASA-N 1 0 369.473 2.047 20 30 FEEDRO CC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000330040177 554053634 /nfs/dbraw/zinc/05/36/34/554053634.db2.gz FRDBIKIQVBGOIW-ZENOOKHLSA-N 1 0 359.561 2.328 20 30 FEEDRO CC[NH+]1CCN(c2ccccc2[NH+]=C([O-])N2CCn3cnnc3[C@H]2C)CC1 ZINC000330052852 554055663 /nfs/dbraw/zinc/05/56/63/554055663.db2.gz PRECSHJXIPTWKY-OAHLLOKOSA-N 1 0 369.473 2.042 20 30 FEEDRO CC1CC[NH+](Cc2ccccc2CNC(=O)CN2CCN(C)C(=O)C2)CC1 ZINC000330086483 554062159 /nfs/dbraw/zinc/06/21/59/554062159.db2.gz SEUCFZNASOOSJN-UHFFFAOYSA-N 1 0 372.513 2.149 20 30 FEEDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CCC(O[C@@H]2CCOC2)CC1 ZINC000330089156 554062731 /nfs/dbraw/zinc/06/27/31/554062731.db2.gz VLWWWTUKABHVBM-SOLBZPMBSA-N 1 0 353.507 2.291 20 30 FEEDRO O=C(N[C@H](Cc1ccccc1)CN1CCOCC1)N[C@@H]1CCCSC1 ZINC000330102232 554064583 /nfs/dbraw/zinc/06/45/83/554064583.db2.gz FZROPCQDRCRKKK-QZTJIDSGSA-N 1 0 363.527 2.329 20 30 FEEDRO CC(=O)N[C@@H](C)C1CC[NH+](Cc2c(C)nn(C)c2N2CCOCC2)CC1 ZINC000330103293 554065142 /nfs/dbraw/zinc/06/51/42/554065142.db2.gz GESJYGXOXQQSAF-AWEZNQCLSA-N 1 0 363.506 2.142 20 30 FEEDRO Cc1ccc2c(c1)CC[C@@H]2NC(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000330126135 554069533 /nfs/dbraw/zinc/06/95/33/554069533.db2.gz MFBASHDPLPZPJH-RBUKOAKNSA-N 1 0 370.497 2.135 20 30 FEEDRO C[N@@H+]1CC[C@]2(CCN(C(=O)N[C@H]3CCc4nc(C(C)(C)C)cn4C3)C2)C1 ZINC000330177804 554079219 /nfs/dbraw/zinc/07/92/19/554079219.db2.gz DEXLJGDWIVLEBX-YWZLYKJASA-N 1 0 359.518 2.437 20 30 FEEDRO O=C(CN1CC[NH+](C[C@@H]2CCOC2)CC1)Nc1nc2c(s1)CCCC2 ZINC000330205230 554085077 /nfs/dbraw/zinc/08/50/77/554085077.db2.gz CHGFPSMRYDBWEK-AWEZNQCLSA-N 1 0 364.515 2.264 20 30 FEEDRO Cc1ccc(NC(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)cc1N1CCNC1=O ZINC000330229839 554089433 /nfs/dbraw/zinc/08/94/33/554089433.db2.gz WCKLFSKUWWCYEN-GDBMZVCRSA-N 1 0 357.458 2.443 20 30 FEEDRO O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)N[C@@H]1CCOC2(CCC2)C1 ZINC000330232570 554089902 /nfs/dbraw/zinc/08/99/02/554089902.db2.gz XLQIBQZEADNVGQ-DOTOQJQBSA-N 1 0 351.491 2.093 20 30 FEEDRO CC(C)[C@H](CNC(=O)N[C@@H]1CCOC2(CCOCC2)C1)[NH+]1CCCC1 ZINC000330246823 554092161 /nfs/dbraw/zinc/09/21/61/554092161.db2.gz YLFCZQLHEVKZNU-SJORKVTESA-N 1 0 353.507 2.339 20 30 FEEDRO CS(=O)(=O)[C@@H]1CCCC[C@H]1NC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000330255123 554094078 /nfs/dbraw/zinc/09/40/78/554094078.db2.gz JTSJYKCWDUBQQH-GVDBMIGSSA-N 1 0 371.547 2.207 20 30 FEEDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)N[C@@H]1CCOC2(CCC2)C1 ZINC000330268708 554096678 /nfs/dbraw/zinc/09/66/78/554096678.db2.gz RIGFQBSONVZAAD-HZPDHXFCSA-N 1 0 351.491 2.187 20 30 FEEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCOC3(CCOCC3)C2)C[C@@H]1C ZINC000330290622 554100211 /nfs/dbraw/zinc/10/02/11/554100211.db2.gz CLKHLNBYYQRGAM-BBWFWOEESA-N 1 0 353.507 2.433 20 30 FEEDRO Cc1c(C(=O)NC2CC[NH+](CC(C)C)CC2)cccc1S(N)(=O)=O ZINC000330412492 554118290 /nfs/dbraw/zinc/11/82/90/554118290.db2.gz ABTTYMDWDUIHJP-UHFFFAOYSA-N 1 0 353.488 2.067 20 30 FEEDRO C[C@H](CC#N)N(C)S(=O)(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000330413985 554118947 /nfs/dbraw/zinc/11/89/47/554118947.db2.gz MRARQMZWSNYMHD-AEFFLSMTSA-N 1 0 364.515 2.109 20 30 FEEDRO CC(C)C(=O)NC[C@H]1CCCN(C(=O)NCC[NH+]2CCC(C)CC2)C1 ZINC000330458800 554124388 /nfs/dbraw/zinc/12/43/88/554124388.db2.gz ZEXUFICUBVVJBE-QGZVFWFLSA-N 1 0 352.523 2.117 20 30 FEEDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCC[C@@H](CNC(N)=O)C2)C1 ZINC000330484993 554127409 /nfs/dbraw/zinc/12/74/09/554127409.db2.gz ZEQDFSMFFAIXGX-CABCVRRESA-N 1 0 353.511 2.205 20 30 FEEDRO C[C@@H](CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)C[NH+]1CCCCC1 ZINC000330506370 554131065 /nfs/dbraw/zinc/13/10/65/554131065.db2.gz LONMPSXQWQULGV-HNNXBMFYSA-N 1 0 367.515 2.364 20 30 FEEDRO CC(C)NC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@](O)(Cc2cccc(Cl)c2)C1 ZINC000330578351 554140692 /nfs/dbraw/zinc/14/06/92/554140692.db2.gz RVPHSKKMCGBGLX-SCLBCKFNSA-N 1 0 367.877 2.146 20 30 FEEDRO CC(=O)c1ccc(NC(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@H]2C)cc1Cl ZINC000330585064 554141681 /nfs/dbraw/zinc/14/16/81/554141681.db2.gz RVVSGJTZGDQDBX-VXGBXAGGSA-N 1 0 353.850 2.475 20 30 FEEDRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)CNC(=O)c1cccc(Br)c1 ZINC000330626677 554147765 /nfs/dbraw/zinc/14/77/65/554147765.db2.gz JGBSKMXCKKUOEG-VXGBXAGGSA-N 1 0 368.275 2.305 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@H](C(=O)NCCC)C2)CC1 ZINC000330659695 554151945 /nfs/dbraw/zinc/15/19/45/554151945.db2.gz RKCXWJBWXLIFMY-INIZCTEOSA-N 1 0 350.507 2.179 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H]2CCC[C@@H](C(=O)NC(C)C)C2)CC1 ZINC000330808201 554174039 /nfs/dbraw/zinc/17/40/39/554174039.db2.gz LZZKPTVTOQKCKX-NVXWUHKLSA-N 1 0 350.507 2.224 20 30 FEEDRO CC(C)CC(=O)N1CCC(NC(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000331151921 554222787 /nfs/dbraw/zinc/22/27/87/554222787.db2.gz OOSLVAYERBRRBZ-SJORKVTESA-N 1 0 352.523 2.400 20 30 FEEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)N1CC[N@@H+](C[C@@H](C)O)C[C@@H]1C ZINC000331202959 554229938 /nfs/dbraw/zinc/22/99/38/554229938.db2.gz XTNPMFIJRDGYGZ-LSDHHAIUSA-N 1 0 360.458 2.278 20 30 FEEDRO COc1cccc(C[C@H](C)NC(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)c1 ZINC000331226172 554233511 /nfs/dbraw/zinc/23/35/11/554233511.db2.gz NGPGUEXNVWQHGE-JKSUJKDBSA-N 1 0 363.502 2.317 20 30 FEEDRO C[C@@H]1CN(C(=O)NCCc2cccc(F)c2F)CC[N@@H+]1CC(C)(C)O ZINC000331228678 554233715 /nfs/dbraw/zinc/23/37/15/554233715.db2.gz OLVDBKIBXQPCEL-CYBMUJFWSA-N 1 0 355.429 2.198 20 30 FEEDRO COc1cc(NC(=O)N2CC[C@H](C[NH+](C)C)C2)c(OC)c(C)c1OC ZINC000331233431 554233984 /nfs/dbraw/zinc/23/39/84/554233984.db2.gz JJNQZRDYFSKFMH-CYBMUJFWSA-N 1 0 351.447 2.450 20 30 FEEDRO C=CCn1c(-c2ccoc2)nnc1N1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000508880219 561776468 /nfs/dbraw/zinc/77/64/68/561776468.db2.gz KGDKMOTWVMLDBQ-HNNXBMFYSA-N 1 0 357.458 2.414 20 30 FEEDRO COC(=O)C[C@](C)([NH2+]CCC(=O)Nc1sccc1C#N)c1ccccn1 ZINC000509141758 561786747 /nfs/dbraw/zinc/78/67/47/561786747.db2.gz VMTOQIFSFNYYMY-SFHVURJKSA-N 1 0 372.450 2.411 20 30 FEEDRO N#Cc1ccc(Cl)c(NC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000332226086 554405069 /nfs/dbraw/zinc/40/50/69/554405069.db2.gz XIIHQRYLGKBEFV-CQSZACIVSA-N 1 0 360.845 2.237 20 30 FEEDRO CCN(CC[NH+]1CCCCCC1)C(=O)C(=O)Nc1ccc(F)cc1C#N ZINC000509816834 561815138 /nfs/dbraw/zinc/81/51/38/561815138.db2.gz BLBNPEVYIHCSBT-UHFFFAOYSA-N 1 0 360.433 2.360 20 30 FEEDRO CC[NH+]1CCN([C@H]2CCN(C(=O)C[C@@H](CC#N)c3ccccc3)C2)CC1 ZINC000332328893 554426108 /nfs/dbraw/zinc/42/61/08/554426108.db2.gz UATBYEBDQYBPJI-UXHICEINSA-N 1 0 354.498 2.312 20 30 FEEDRO C[C@H]1C[C@@H](NC(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)CC[NH2+]1 ZINC000332530104 554464808 /nfs/dbraw/zinc/46/48/08/554464808.db2.gz GUTSSZHREXKTOA-ZFWWWQNUSA-N 1 0 361.877 2.184 20 30 FEEDRO N#Cc1cccc(C2(C(=O)NC3CC[NH+]([C@H]4CCCC[C@@H]4O)CC3)CC2)c1 ZINC000332771639 554511786 /nfs/dbraw/zinc/51/17/86/554511786.db2.gz GPGGERSPSRUIOE-PMACEKPBSA-N 1 0 367.493 2.474 20 30 FEEDRO N#CC1CCC(CNC(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)CC1 ZINC000333037193 554562382 /nfs/dbraw/zinc/56/23/82/554562382.db2.gz IVYMMZBRLKXCNV-YVZJPGBNSA-N 1 0 362.518 2.383 20 30 FEEDRO CNC(=O)[C@H]1CCC[C@H]1[NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000333039502 554562798 /nfs/dbraw/zinc/56/27/98/554562798.db2.gz YSLLSYKFONTBQT-DZGCQCFKSA-N 1 0 374.510 2.331 20 30 FEEDRO N#Cc1c2c(sc1NC(=O)CC[NH2+][C@@H]1CCC(=O)N[C@@H]1C1CC1)CCC2 ZINC000333179216 554584480 /nfs/dbraw/zinc/58/44/80/554584480.db2.gz ROFFLZSLNFTAIB-RDTXWAMCSA-N 1 0 372.494 2.084 20 30 FEEDRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)[C@@]2(C#N)CC23CCCC3)CC1 ZINC000333241148 554593155 /nfs/dbraw/zinc/59/31/55/554593155.db2.gz WKSHMZYHBLREQG-OPYAIIAOSA-N 1 0 358.530 2.477 20 30 FEEDRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000333584567 554625475 /nfs/dbraw/zinc/62/54/75/554625475.db2.gz AMYMJVWHWXYKFD-HOBHPSKFSA-N 1 0 357.458 2.035 20 30 FEEDRO CC[N@@H+]1CCN(C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)C[C@H]1C ZINC000613157010 554894076 /nfs/dbraw/zinc/89/40/76/554894076.db2.gz RDTMJUKIBBFBMX-CQSZACIVSA-N 1 0 353.430 2.005 20 30 FEEDRO C[C@@H]1C[NH+](CCCNC(=O)[C@@]2(C#N)CCc3ccccc3C2)C[C@@H](C)O1 ZINC000362020219 554944816 /nfs/dbraw/zinc/94/48/16/554944816.db2.gz GVRHLDADCLXSKD-LZJOCLMNSA-N 1 0 355.482 2.301 20 30 FEEDRO C[C@H]1CN(c2nc3c(cc2C#N)CCCC3)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000362660265 554979342 /nfs/dbraw/zinc/97/93/42/554979342.db2.gz VSDSOFKIJSULDH-OXJNMPFZSA-N 1 0 353.514 2.294 20 30 FEEDRO C[C@@H](C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000511771450 561880228 /nfs/dbraw/zinc/88/02/28/561880228.db2.gz RSEFBJHOXLDBCD-KURKYZTESA-N 1 0 354.498 2.464 20 30 FEEDRO Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N(C)[C@@H]3CC[N@H+](C)[C@@H](C)C3)C2)n1 ZINC000363170259 555044698 /nfs/dbraw/zinc/04/46/98/555044698.db2.gz FHGLPDIASIVVLW-YTQUADARSA-N 1 0 369.513 2.419 20 30 FEEDRO C[C@H](C(=O)NC1CCN(c2ccc(C#N)cn2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000363384687 555091582 /nfs/dbraw/zinc/09/15/82/555091582.db2.gz OCIUGFCZBUQPLV-OWCLPIDISA-N 1 0 355.486 2.300 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)NCc2cccc(-c3n[nH]c(C)n3)c2)CC1 ZINC000363432789 555104117 /nfs/dbraw/zinc/10/41/17/555104117.db2.gz PGUISTUUSYKTNA-UHFFFAOYSA-N 1 0 354.458 2.230 20 30 FEEDRO Cn1cccc1C(=O)NC1CC[NH+](CCOc2ccc(C#N)cc2)CC1 ZINC000363452710 555109106 /nfs/dbraw/zinc/10/91/06/555109106.db2.gz LAGKKENBJKURBO-UHFFFAOYSA-N 1 0 352.438 2.170 20 30 FEEDRO CCC(=O)N1CCC[C@H]1[C@H]1CCC[N@@H+]1CC(=O)NC1(C#N)CCCCC1 ZINC000363473446 555114573 /nfs/dbraw/zinc/11/45/73/555114573.db2.gz BKTOSQJHMDNWMN-SJORKVTESA-N 1 0 360.502 2.194 20 30 FEEDRO N#CCCN(C(=O)CN1CCC[C@@H](N2CCCCC2=O)C1)c1ccccc1 ZINC000363501078 555121729 /nfs/dbraw/zinc/12/17/29/555121729.db2.gz UENVILHMLRYORD-LJQANCHMSA-N 1 0 368.481 2.410 20 30 FEEDRO C[C@H](N[C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@H]1C)C(=O)Nc1cccc(C#N)c1 ZINC000363702514 555167685 /nfs/dbraw/zinc/16/76/85/555167685.db2.gz BZIPAPZAIGFVGD-WOUAJJJCSA-N 1 0 370.497 2.364 20 30 FEEDRO N#CCN(CC#N)C(=O)C1CCN(Cc2coc(-c3ccccc3)n2)CC1 ZINC000364116500 555252743 /nfs/dbraw/zinc/25/27/43/555252743.db2.gz YNFOSUSKCBUTCA-UHFFFAOYSA-N 1 0 363.421 2.429 20 30 FEEDRO C=CCN(CC(=O)NC1(C#N)CCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000364143367 555257921 /nfs/dbraw/zinc/25/79/21/555257921.db2.gz FURVHYYAYAWQPI-IBGZPJMESA-N 1 0 352.482 2.311 20 30 FEEDRO C=CCN(Cc1cc(=O)n2nccc2[nH]1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000364155700 555259972 /nfs/dbraw/zinc/25/99/72/555259972.db2.gz GFPMFTDNEOIZEG-LJQANCHMSA-N 1 0 363.465 2.285 20 30 FEEDRO Cc1ccc(C#N)cc1S(=O)(=O)N1C[C@@H]([NH3+])[C@@H](c2ccc(F)cc2)C1 ZINC000364186542 555265743 /nfs/dbraw/zinc/26/57/43/555265743.db2.gz XZZFGRMOSJLZED-IAGOWNOFSA-N 1 0 359.426 2.121 20 30 FEEDRO CCCn1nc2c(cc1=O)C[N@@H+](CCCOc1ccc(C#N)cc1)CC2 ZINC000364361591 555299380 /nfs/dbraw/zinc/29/93/80/555299380.db2.gz LHEWEEJNPAACCB-UHFFFAOYSA-N 1 0 352.438 2.352 20 30 FEEDRO C[N@@H+]1CC[C@@H](CNC(=O)Cc2ccc(OCC#N)cc2)[C@@H]1c1cccnc1 ZINC000364555764 555337568 /nfs/dbraw/zinc/33/75/68/555337568.db2.gz SNWRUNVSEYKCEP-RXVVDRJESA-N 1 0 364.449 2.336 20 30 FEEDRO C=CCOc1ccc(C(=O)N2CCC[N@H+](CC(C)(C)O)CC2)cc1OC ZINC000364592634 555346997 /nfs/dbraw/zinc/34/69/97/555346997.db2.gz SOUSLXCIMJFDNM-UHFFFAOYSA-N 1 0 362.470 2.179 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N[C@H]2C[C@@H](C(=O)OC)c3ccccc32)CC1 ZINC000364649936 555363169 /nfs/dbraw/zinc/36/31/69/555363169.db2.gz TVWWAIZNZCSAFI-MSOLQXFVSA-N 1 0 357.454 2.338 20 30 FEEDRO N#C[C@@H]1CN(C(=O)NCCC[NH+]2CCCCC2)CCN1Cc1ccccc1 ZINC000512677615 561912140 /nfs/dbraw/zinc/91/21/40/561912140.db2.gz LJXUNYRBFMTZCB-HXUWFJFHSA-N 1 0 369.513 2.282 20 30 FEEDRO N#Cc1cccc(F)c1CC(=O)NCC1([NH+]2CCCCC2)CCOCC1 ZINC000512683696 561912472 /nfs/dbraw/zinc/91/24/72/561912472.db2.gz WDIXTKZRKDAFAD-UHFFFAOYSA-N 1 0 359.445 2.391 20 30 FEEDRO C[C@H]([C@@H]1CN(Cc2ccccc2)CCO1)N(C)C(=O)c1cc(C#N)cn1C ZINC000364857445 555416743 /nfs/dbraw/zinc/41/67/43/555416743.db2.gz WOROMBZKUJBFPF-UZLBHIALSA-N 1 0 366.465 2.258 20 30 FEEDRO Cc1ncc(CN2CC[C@H]([NH2+][C@@H](C)C(=O)N(C)CCC#N)[C@H](C)C2)s1 ZINC000364920496 555437554 /nfs/dbraw/zinc/43/75/54/555437554.db2.gz ZEQQSNIUPXPXFE-KEYYUXOJSA-N 1 0 363.531 2.012 20 30 FEEDRO Cn1cc(-c2ncccc2NC(=O)N(CCC#N)CCC[NH+](C)C)cn1 ZINC000365024571 555467361 /nfs/dbraw/zinc/46/73/61/555467361.db2.gz MEBVQTRYLFVYLI-UHFFFAOYSA-N 1 0 355.446 2.181 20 30 FEEDRO Cc1cc(NC(=O)N2CCC[C@@H]([NH+](C)C)CC2)nn1-c1cccc(C#N)c1 ZINC000365280458 555530556 /nfs/dbraw/zinc/53/05/56/555530556.db2.gz AEEWUXARTWCMSR-QGZVFWFLSA-N 1 0 366.469 3.000 20 30 FEEDRO N#Cc1ccccc1NC(=O)CC[N@@H+]1CCCN(C(=O)c2ccoc2)CC1 ZINC000365301787 555536426 /nfs/dbraw/zinc/53/64/26/555536426.db2.gz YOHOTFJWZCXSPT-UHFFFAOYSA-N 1 0 366.421 2.328 20 30 FEEDRO Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N(C)[C@H]3CCC[N@H+](C)C3)C2)n1 ZINC000365768519 555663521 /nfs/dbraw/zinc/66/35/21/555663521.db2.gz HAMFLEXAHIAGHJ-ROUUACIJSA-N 1 0 355.486 2.031 20 30 FEEDRO C[N@H+](CCC(=O)Nc1ccccc1C#N)C1CCN(c2ncccn2)CC1 ZINC000365835097 555678836 /nfs/dbraw/zinc/67/88/36/555678836.db2.gz SMALAOONSSBXGC-UHFFFAOYSA-N 1 0 364.453 2.278 20 30 FEEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000513494849 561940704 /nfs/dbraw/zinc/94/07/04/561940704.db2.gz YKLOVSFFNCRNOH-INIZCTEOSA-N 1 0 370.497 2.165 20 30 FEEDRO Cc1ccc(C#N)cc1NC(=O)N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000366099758 555750761 /nfs/dbraw/zinc/75/07/61/555750761.db2.gz ZSONFHSQODXXJP-SFHVURJKSA-N 1 0 355.486 2.499 20 30 FEEDRO C=CCOCCNC(=O)N1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000366785807 555933758 /nfs/dbraw/zinc/93/37/58/555933758.db2.gz RQOOYZAFDGVBBP-IRXDYDNUSA-N 1 0 353.507 2.110 20 30 FEEDRO C=CCc1ccccc1OC[C@@H](O)C[NH2+]C[C@]1(N(C)C)CCSC1 ZINC000514669000 561972948 /nfs/dbraw/zinc/97/29/48/561972948.db2.gz SQSKSQCQGAMPIL-PKOBYXMFSA-N 1 0 350.528 2.182 20 30 FEEDRO CN1CC[NH+](C[C@H]2CCCN(c3nc4c(cc3C#N)CCCC4)C2)CC1 ZINC000367342845 556023332 /nfs/dbraw/zinc/02/33/32/556023332.db2.gz RLZVYXAAFBPIBJ-QGZVFWFLSA-N 1 0 353.514 2.296 20 30 FEEDRO CN(CCC#N)c1ccc(CN2CCC[C@@H]2C[N@@H+]2CCC[C@@H]2CO)cc1 ZINC000367467113 556058127 /nfs/dbraw/zinc/05/81/27/556058127.db2.gz IJWPFMHFPARARN-NHCUHLMSSA-N 1 0 356.514 2.458 20 30 FEEDRO C#Cc1cccc(NC(=O)CN(C)C(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])c1 ZINC000367527864 556074434 /nfs/dbraw/zinc/07/44/34/556074434.db2.gz SSPXNBKMASWTFK-HLVUACMISA-N 1 0 353.466 2.218 20 30 FEEDRO C[C@@H]1C[C@@H](N2CCOCC2)CN1CC(=O)Nc1ccccc1SCC#N ZINC000367602529 556094498 /nfs/dbraw/zinc/09/44/98/556094498.db2.gz UHTKDMBSTSWYCM-HZPDHXFCSA-N 1 0 374.510 2.036 20 30 FEEDRO C#C[C@@H]([NH2+]C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1)C(C)C ZINC000368039034 556201249 /nfs/dbraw/zinc/20/12/49/556201249.db2.gz DYGCSQIOQBPNEX-GOSISDBHSA-N 1 0 350.484 2.096 20 30 FEEDRO N#Cc1ccc(N2C(=O)C[C@H]([N@@H+]3CC[C@H](Cc4ccncc4)C3)C2=O)cc1 ZINC000368076406 556212318 /nfs/dbraw/zinc/21/23/18/556212318.db2.gz POKBXZQYNDNOEO-MJGOQNOKSA-N 1 0 360.417 2.150 20 30 FEEDRO C=CCNc1ncc(C(=O)N2CC3(CCCC3)OC[C@H]2C[NH+](C)C)s1 ZINC000622185468 556243816 /nfs/dbraw/zinc/24/38/16/556243816.db2.gz DPPQDNJEUYPYDS-CQSZACIVSA-N 1 0 364.515 2.456 20 30 FEEDRO CN(CCC#N)C(=O)CC[N@@H+]1CC[C@@H]2[C@H](CCN2C(=O)OC(C)(C)C)C1 ZINC000368348976 556284199 /nfs/dbraw/zinc/28/41/99/556284199.db2.gz PABCNFYJVVDJKY-HZPDHXFCSA-N 1 0 364.490 2.080 20 30 FEEDRO COc1cc(C#N)ccc1OCC[N@@H+]1CCC[C@H](c2ccnc(N)n2)C1 ZINC000368452601 556313768 /nfs/dbraw/zinc/31/37/68/556313768.db2.gz BVNFIMLCGGTGJV-HNNXBMFYSA-N 1 0 353.426 2.197 20 30 FEEDRO C[C@@H](C(=O)N1CCC(Nc2ccc(C#N)cn2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000368732411 556400125 /nfs/dbraw/zinc/40/01/25/556400125.db2.gz JUGWEEDRPNDPDV-OAGGEKHMSA-N 1 0 355.486 2.617 20 30 FEEDRO C=CCCCCCNC(=O)N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 ZINC000515497584 562012953 /nfs/dbraw/zinc/01/29/53/562012953.db2.gz WRRONHYZSZLPJO-SFHVURJKSA-N 1 0 364.534 2.461 20 30 FEEDRO N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H](C(=O)N3CCCCC3)C2)cc1 ZINC000368819121 556422114 /nfs/dbraw/zinc/42/21/14/556422114.db2.gz YJADKINUSHOORB-MOPGFXCFSA-N 1 0 371.481 2.022 20 30 FEEDRO C#CCNC(=O)C1CC[NH+]([C@@H](C)C(=O)N2CCC[C@@H]2c2cccs2)CC1 ZINC000368822315 556422577 /nfs/dbraw/zinc/42/25/77/556422577.db2.gz GSQAEOOTIVAGKG-DOTOQJQBSA-N 1 0 373.522 2.262 20 30 FEEDRO N#Cc1cccnc1OC1CCC(NC(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000515620862 562017492 /nfs/dbraw/zinc/01/74/92/562017492.db2.gz MRSMWZOICGPSAJ-VFPGXZCRSA-N 1 0 371.485 2.460 20 30 FEEDRO CC[NH+](CC)Cc1cccc(CNC(=O)N2CCN(C3CC3)[C@H](C#N)C2)c1 ZINC000369230142 556542260 /nfs/dbraw/zinc/54/22/60/556542260.db2.gz HJZPKGHNUJCMTK-HXUWFJFHSA-N 1 0 369.513 2.410 20 30 FEEDRO COc1ccc([C@@H](C[NH2+]Cc2nc(C#N)cs2)N2CCOCC2)cc1 ZINC000516037364 562028666 /nfs/dbraw/zinc/02/86/66/562028666.db2.gz JJTNUIRRGUZBDH-QGZVFWFLSA-N 1 0 358.467 2.186 20 30 FEEDRO COc1cc(C#N)ccc1OCC[NH+]1CCC(Oc2cnccn2)CC1 ZINC000369633110 556653319 /nfs/dbraw/zinc/65/33/19/556653319.db2.gz XRSMKOHNVMCGET-UHFFFAOYSA-N 1 0 354.410 2.279 20 30 FEEDRO CN(C(=O)CN1CCC(Oc2cnccn2)CC1)C1(C#N)CCCCC1 ZINC000369676993 556665765 /nfs/dbraw/zinc/66/57/65/556665765.db2.gz URTHYUJKFHBYNL-UHFFFAOYSA-N 1 0 357.458 2.005 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[S@](=O)CC[C@@H]1C)C(C)C ZINC000369731840 556680087 /nfs/dbraw/zinc/68/00/87/556680087.db2.gz LJSMIUGLMAWXPD-OBWXTZQISA-N 1 0 355.548 2.238 20 30 FEEDRO Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N3CCC[C@H]([NH+](C)C)C3)C2)n1 ZINC000369935750 556735001 /nfs/dbraw/zinc/73/50/01/556735001.db2.gz JIWYRLADANLQNL-MSOLQXFVSA-N 1 0 355.486 2.031 20 30 FEEDRO C[C@H](CNC(=O)N1CCN(c2ccc(C#N)cn2)CC1)[N@@H+]1CCCC[C@@H]1C ZINC000516564763 562048370 /nfs/dbraw/zinc/04/83/70/562048370.db2.gz GXZNYTIURGSWGM-DLBZAZTESA-N 1 0 370.501 2.048 20 30 FEEDRO COc1ccc([C@@H](C)[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)cc1F ZINC000516509271 562045431 /nfs/dbraw/zinc/04/54/31/562045431.db2.gz YWRHVSZJEKJEOG-GFCCVEGCSA-N 1 0 363.414 2.225 20 30 FEEDRO N#Cc1ncn(C2CC[NH+](CCOCC(F)(F)C(F)(F)F)CC2)n1 ZINC000370129951 556788588 /nfs/dbraw/zinc/78/85/88/556788588.db2.gz FVEIVDXJGWCLAU-UHFFFAOYSA-N 1 0 353.295 2.001 20 30 FEEDRO CN1CC[C@@H]([NH2+]CC(=O)NCc2ccc(C#N)cc2)[C@@H]1c1ccc(F)cc1 ZINC000370730950 556952331 /nfs/dbraw/zinc/95/23/31/556952331.db2.gz RSAPHHQBFPSGGZ-CTNGQTDRSA-N 1 0 366.440 2.349 20 30 FEEDRO Cn1cc([C@H]2[C@H](CNC(=O)CCc3ccc(C#N)cc3)CCC[N@@H+]2C)cn1 ZINC000370905500 557010255 /nfs/dbraw/zinc/01/02/55/557010255.db2.gz PSIDMGXHFBKIMD-GHTZIAJQSA-N 1 0 365.481 2.424 20 30 FEEDRO C[NH+]1CCC(C)(CNC(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CC1 ZINC000371737214 557279230 /nfs/dbraw/zinc/27/92/30/557279230.db2.gz RSRIBEGGKRKFQP-UHFFFAOYSA-N 1 0 370.432 2.736 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)[C@@H]2CCCCN2C(=O)c2cccs2)CC1 ZINC000371825250 557304311 /nfs/dbraw/zinc/30/43/11/557304311.db2.gz QVBWTVVDDDLJCE-KRWDZBQOSA-N 1 0 373.522 2.347 20 30 FEEDRO N#CCC1(CS(=O)(=O)NCCN2CCc3c(Cl)cccc3C2)CC1 ZINC000518312748 562108286 /nfs/dbraw/zinc/10/82/86/562108286.db2.gz DGICPSHWEQGYFK-UHFFFAOYSA-N 1 0 367.902 2.311 20 30 FEEDRO N#CC1(NC(=O)c2ccc3nc[nH]c3n2)CC[NH+](Cc2ccccc2)CC1 ZINC000371877665 557317379 /nfs/dbraw/zinc/31/73/79/557317379.db2.gz XZVNCHBCTLWZJC-UHFFFAOYSA-N 1 0 360.421 2.246 20 30 FEEDRO COc1cc(C[NH2+]C[C@H](O)COc2ccc(NC(C)=O)cc2)ccc1C#N ZINC000518760282 562117733 /nfs/dbraw/zinc/11/77/33/562117733.db2.gz QSRKDZNMHDBUCQ-SFHVURJKSA-N 1 0 369.421 2.055 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCCc2cn[nH]c21 ZINC000372215686 557411709 /nfs/dbraw/zinc/41/17/09/557411709.db2.gz HYBAIOIZWDUNOW-GOSISDBHSA-N 1 0 351.454 2.292 20 30 FEEDRO C=CCc1ccc(OC[C@H](O)C[NH2+]Cc2c(C)nn(C)c2C)c(OC)c1 ZINC000519141347 562125693 /nfs/dbraw/zinc/12/56/93/562125693.db2.gz AOPSRLWBKSDFPO-QGZVFWFLSA-N 1 0 359.470 2.304 20 30 FEEDRO Cc1cc(NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)nn1-c1cccc(C#N)c1 ZINC000372378217 557454701 /nfs/dbraw/zinc/45/47/01/557454701.db2.gz PVRSQTRDHLEUSL-RHSMWYFYSA-N 1 0 366.469 2.999 20 30 FEEDRO CN(CCC#N)C(=O)CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C2 ZINC000372545227 557499340 /nfs/dbraw/zinc/49/93/40/557499340.db2.gz IHFOINJMIFNICT-MUJYYYPQSA-N 1 0 364.490 2.269 20 30 FEEDRO Cc1nc(C#N)c(N2CCN(C(=O)C[NH2+][C@]3(C)CCCC[C@H]3C)CC2)o1 ZINC000519586728 562135919 /nfs/dbraw/zinc/13/59/19/562135919.db2.gz RVHGILDFWQMCRX-AUUYWEPGSA-N 1 0 359.474 2.062 20 30 FEEDRO N#Cc1ccccc1Cn1cccc1CNC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000372671965 557534405 /nfs/dbraw/zinc/53/44/05/557534405.db2.gz FTOYBWKXHLVVQP-NHCUHLMSSA-N 1 0 350.466 2.361 20 30 FEEDRO CC[NH+]1CCC(N(C)C(=O)[C@@H]2C[C@H]3CCCC[C@H]3N2C(=O)CC#N)CC1 ZINC000372954285 557596336 /nfs/dbraw/zinc/59/63/36/557596336.db2.gz LRDNUORRFPLVFQ-NXHRZFHOSA-N 1 0 360.502 2.002 20 30 FEEDRO CC(C)C[N@H+](CC(=O)NCCCN1CCCC1=O)Cc1ccc(C#N)cc1 ZINC000520173174 562149869 /nfs/dbraw/zinc/14/98/69/562149869.db2.gz REHYAAHAHHHJLS-UHFFFAOYSA-N 1 0 370.497 2.145 20 30 FEEDRO N#Cc1cc(N2CCC(O)(C[NH+]3CCOCC3)CC2)ccc1C(F)(F)F ZINC000373332138 557674334 /nfs/dbraw/zinc/67/43/34/557674334.db2.gz GGPPLFDQYLFLHQ-UHFFFAOYSA-N 1 0 369.387 2.241 20 30 FEEDRO N#Cc1cc(NCC[NH+]2CCN(c3ccccc3)CC2)cc(N)c1[N+](=O)[O-] ZINC000520209447 562150640 /nfs/dbraw/zinc/15/06/40/562150640.db2.gz YBRBIORTTXECFX-UHFFFAOYSA-N 1 0 366.425 2.283 20 30 FEEDRO N#C[C@@H]1COCCN1C(=O)[C@H]1CC[N@H+](C[C@@H]2CCCc3ccccc32)C1 ZINC000373506644 557707324 /nfs/dbraw/zinc/70/73/24/557707324.db2.gz MVINSZBNPKMXRT-GBESFXJTSA-N 1 0 353.466 2.179 20 30 FEEDRO CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)Nc2ccccc2CC#N)CC1=O ZINC000520426323 562156326 /nfs/dbraw/zinc/15/63/26/562156326.db2.gz FBUFFUUZSMWLNE-SJORKVTESA-N 1 0 354.454 2.024 20 30 FEEDRO N#Cc1ccc(Oc2ccc(NC(=O)NCCN3CC[NH2+]CC3)cc2)cc1 ZINC000520540294 562158534 /nfs/dbraw/zinc/15/85/34/562158534.db2.gz DPTLKYMHOATIEN-UHFFFAOYSA-N 1 0 365.437 2.377 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000373866812 557776572 /nfs/dbraw/zinc/77/65/72/557776572.db2.gz NMPOMJHURJVCLN-YOEHRIQHSA-N 1 0 370.540 2.472 20 30 FEEDRO O=C(C[N@H+]1CCCC[C@@H](CO)C1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000374048501 557813856 /nfs/dbraw/zinc/81/38/56/557813856.db2.gz HEXALXVYYJKNDP-MRXNPFEDSA-N 1 0 368.399 2.268 20 30 FEEDRO N#Cc1cc(S(=O)(=O)N2CCC[N@@H+]3CCC[C@H]3C2)ccc1C(F)(F)F ZINC000374462241 557887080 /nfs/dbraw/zinc/88/70/80/557887080.db2.gz LILXFXACRAZVDV-ZDUSSCGKSA-N 1 0 373.400 2.436 20 30 FEEDRO C[C@H](C(=O)Nc1ccccc1C#N)N1CCC[C@@H](c2nc(N(C)C)no2)C1 ZINC000374636902 557910045 /nfs/dbraw/zinc/91/00/45/557910045.db2.gz OZCSKMWPDGYLNI-UKRRQHHQSA-N 1 0 368.441 2.214 20 30 FEEDRO Cn1nccc1C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)NCc1ccc(C#N)cc1 ZINC000374826639 557937267 /nfs/dbraw/zinc/93/72/67/557937267.db2.gz FWJBVHKRZMOONC-YQQQUEKLSA-N 1 0 363.465 2.319 20 30 FEEDRO C=C[C@@H](CC(=O)N1CCC(O)(C[NH+]2CCOCC2)CC1)c1ccccc1 ZINC000374953044 557955750 /nfs/dbraw/zinc/95/57/50/557955750.db2.gz MHKVLVARKUOWSM-SFHVURJKSA-N 1 0 358.482 2.032 20 30 FEEDRO CCN(CC(=O)N(CCC#N)CCC#N)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000375211183 557992712 /nfs/dbraw/zinc/99/27/12/557992712.db2.gz NUSBFMZHJBCDEW-FQEVSTJZSA-N 1 0 367.497 2.239 20 30 FEEDRO C=CCNC(=O)C[N@H+]1CCCC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000375259804 558000222 /nfs/dbraw/zinc/00/02/22/558000222.db2.gz FSIUTWOLCUXRIP-UHFFFAOYSA-N 1 0 351.491 2.402 20 30 FEEDRO CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc(CC#N)cc1 ZINC000375263221 558001015 /nfs/dbraw/zinc/00/10/15/558001015.db2.gz IECQNEQBNVDJKO-JOCHJYFZSA-N 1 0 363.461 2.462 20 30 FEEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH2+][C@H]2CCC(=O)N[C@@H]2C2CC2)c1 ZINC000375275033 558002951 /nfs/dbraw/zinc/00/29/51/558002951.db2.gz BZJPLJAWRHTQJK-GHTZIAJQSA-N 1 0 368.481 2.197 20 30 FEEDRO C[C@H]1C[C@@H](CNS(=O)(=O)c2cccnc2C#N)C[N@@H+]1Cc1ccccc1 ZINC000375440149 558027590 /nfs/dbraw/zinc/02/75/90/558027590.db2.gz YLRPOVXZKUUUTA-RDJZCZTQSA-N 1 0 370.478 2.142 20 30 FEEDRO N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CC[C@@H](c3nc(C4CC4)no3)C2)cc1 ZINC000375471093 558033047 /nfs/dbraw/zinc/03/30/47/558033047.db2.gz PPQNTISZANVLSR-CVEARBPZSA-N 1 0 354.410 2.048 20 30 FEEDRO CC(C)(CCC#N)C[N@@H+]1CCC[C@@H](n2ncc(N3CCOCC3)cc2=O)C1 ZINC000375573072 558050962 /nfs/dbraw/zinc/05/09/62/558050962.db2.gz VCSHANNJZXGCPR-QGZVFWFLSA-N 1 0 373.501 2.047 20 30 FEEDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000375635783 558060336 /nfs/dbraw/zinc/06/03/36/558060336.db2.gz GTXVDUGEUZBBJY-TZMCWYRMSA-N 1 0 353.875 2.459 20 30 FEEDRO Cc1cccc(C[NH+]2CCC(NS(=O)(=O)N(C)[C@@H](C)CC#N)CC2)c1 ZINC000375694302 558068830 /nfs/dbraw/zinc/06/88/30/558068830.db2.gz UROQMVAWKXJLGP-INIZCTEOSA-N 1 0 364.515 2.028 20 30 FEEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+][C@H]2COc3ccc(F)cc3C2)c1 ZINC000521614270 562180381 /nfs/dbraw/zinc/18/03/81/562180381.db2.gz FQQSOPJNZAPEOP-MRXNPFEDSA-N 1 0 360.410 2.064 20 30 FEEDRO C#CC[C@H](Cc1ccccc1)NC(=O)NC[C@H]1CCC[C@H]1[NH+]1CCOCC1 ZINC000376328651 558158699 /nfs/dbraw/zinc/15/86/99/558158699.db2.gz UPBRRHJJHKGGRZ-NJDAHSKKSA-N 1 0 369.509 2.421 20 30 FEEDRO CC1(C)C(=O)N[C@H]1C1CC[NH+](CCC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000521757614 562183182 /nfs/dbraw/zinc/18/31/82/562183182.db2.gz WPWSHMPPHCCZGH-SFHVURJKSA-N 1 0 354.454 2.123 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N2CC[C@@H](c3ccccc3)[C@@H](CO)C2)CC1 ZINC000376755786 558217402 /nfs/dbraw/zinc/21/74/02/558217402.db2.gz OMOQXGYMIXXKSN-QUCCMNQESA-N 1 0 357.498 2.444 20 30 FEEDRO C[N@@H+]1CC[C@@H](CNS(=O)(=O)Cc2ccc(C#N)cc2)[C@@H]1c1cccnc1 ZINC000377310884 558312445 /nfs/dbraw/zinc/31/24/45/558312445.db2.gz MMJRKRLVNKIBFU-OALUTQOASA-N 1 0 370.478 2.066 20 30 FEEDRO C[C@@H]1COCCN1CC[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000522213882 562194403 /nfs/dbraw/zinc/19/44/03/562194403.db2.gz GUDBOFNMMLTFIR-QGZVFWFLSA-N 1 0 353.470 2.274 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)[C@@H]2CCCN2c2ncnc3ccccc32)CC1 ZINC000378229588 558507047 /nfs/dbraw/zinc/50/70/47/558507047.db2.gz GBPRAGATSJUMOV-IBGZPJMESA-N 1 0 365.481 2.365 20 30 FEEDRO C[C@@H]1CN(C(=O)c2cccc(SCC#N)c2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000378316994 558527732 /nfs/dbraw/zinc/52/77/32/558527732.db2.gz OMKLQQXVXAYFLP-VQIMIIECSA-N 1 0 372.538 2.400 20 30 FEEDRO C=C(C)COc1cccc(NC(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)[C@@H]3C2)c1 ZINC000378447074 558559482 /nfs/dbraw/zinc/55/94/82/558559482.db2.gz ACPLNFVRSGLZCY-CRAIPNDOSA-N 1 0 357.454 2.133 20 30 FEEDRO C[C@H](C(=O)NCc1ccccc1C[NH+]1CCC(C)CC1)n1cnc(C#N)n1 ZINC000409460620 558693906 /nfs/dbraw/zinc/69/39/06/558693906.db2.gz HBIKTVSVSUZKAY-MRXNPFEDSA-N 1 0 366.469 2.259 20 30 FEEDRO CCN(C[C@H](C)C#N)S(=O)(=O)N[C@H]1CCCC[C@H]1C[NH+](CC)CC ZINC000409485087 558696170 /nfs/dbraw/zinc/69/61/70/558696170.db2.gz NHARYYYPGZXPCW-IKGGRYGDSA-N 1 0 358.552 2.203 20 30 FEEDRO CCN(C[C@H](C)C#N)S(=O)(=O)N[C@@H]1CCCC[C@H]1C[NH+](CC)CC ZINC000409485089 558696229 /nfs/dbraw/zinc/69/62/29/558696229.db2.gz NHARYYYPGZXPCW-IXDOHACOSA-N 1 0 358.552 2.203 20 30 FEEDRO CCN(CCC#N)S(=O)(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000409496825 558697792 /nfs/dbraw/zinc/69/77/92/558697792.db2.gz YUXWOCCBAMGZET-FUHWJXTLSA-N 1 0 364.515 2.109 20 30 FEEDRO CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NS(=O)(=O)N(C)C[C@@H](C)C#N ZINC000409507842 558698969 /nfs/dbraw/zinc/69/89/69/558698969.db2.gz BJCNSUXJONHWML-FUHWJXTLSA-N 1 0 366.531 2.069 20 30 FEEDRO CCN(C[C@@H](C)C#N)S(=O)(=O)NC[C@H](c1ccccc1)[NH+](CC)CC ZINC000409536307 558700807 /nfs/dbraw/zinc/70/08/07/558700807.db2.gz PSDHROFDJANXKR-FUHWJXTLSA-N 1 0 366.531 2.385 20 30 FEEDRO CCN(CCC#N)S(=O)(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000409591888 558706456 /nfs/dbraw/zinc/70/64/56/558706456.db2.gz AGEBZUWNVJPQET-SFHVURJKSA-N 1 0 364.515 2.202 20 30 FEEDRO CCN(Cc1ccc(C[NH+](C)C)cc1)S(=O)(=O)N(CC)C[C@@H](C)C#N ZINC000410154503 558742582 /nfs/dbraw/zinc/74/25/82/558742582.db2.gz KFRJCQRNNLGFLK-INIZCTEOSA-N 1 0 366.531 2.296 20 30 FEEDRO C=CCN(CCc1ccco1)C(=O)C(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000410821733 558814224 /nfs/dbraw/zinc/81/42/24/558814224.db2.gz CNCCGXGSJLBEKK-GOSISDBHSA-N 1 0 373.497 2.027 20 30 FEEDRO C=CC[C@@H]1N(C(=O)C(=O)N2CCN(c3ccccn3)CC2)CCCC1(C)C ZINC000411004819 558831180 /nfs/dbraw/zinc/83/11/80/558831180.db2.gz SFSIWHSTURJJSR-KRWDZBQOSA-N 1 0 370.497 2.324 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)Nc1ccc(C[NH+](C)C)c(C)c1 ZINC000411494568 558905082 /nfs/dbraw/zinc/90/50/82/558905082.db2.gz SYWQQRBGPLWTNY-QAPCUYQASA-N 1 0 359.470 2.093 20 30 FEEDRO CCO[C@H]1COCC[C@@H]1[NH2+]CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000411556403 558916494 /nfs/dbraw/zinc/91/64/94/558916494.db2.gz IMYFKARYMGQPJC-HOTGVXAUSA-N 1 0 351.834 2.324 20 30 FEEDRO CC(C)OC[C@@H](CO)[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000411635445 558933311 /nfs/dbraw/zinc/93/33/11/558933311.db2.gz NFVYMOLGEQIBFL-CYBMUJFWSA-N 1 0 365.499 2.155 20 30 FEEDRO C[N@@H+]1CCC[C@@H](CCNC(=O)C(=O)Nc2ccccc2SCCC#N)C1 ZINC000411681305 558942996 /nfs/dbraw/zinc/94/29/96/558942996.db2.gz YUTGPOHVSOQHJP-HNNXBMFYSA-N 1 0 374.510 2.479 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]CC(=O)N[C@H](c1ccc2c(c1)OCCO2)C(C)C ZINC000411800034 558965663 /nfs/dbraw/zinc/96/56/63/558965663.db2.gz YWVRQFCOBTYUIA-GUXCAODWSA-N 1 0 360.454 2.204 20 30 FEEDRO C[C@H]1C[C@H](NC(=O)NC2CCC(Oc3ncccc3C#N)CC2)CC[N@@H+]1C ZINC000525852781 562257444 /nfs/dbraw/zinc/25/74/44/562257444.db2.gz CJQMHLVUVFWMDQ-FQXVJMBOSA-N 1 0 371.485 2.425 20 30 FEEDRO CO[C@H]1c2ccccc2C[C@H]1[NH2+]CCS(=O)(=O)c1cccc(C#N)c1 ZINC000411888846 558983392 /nfs/dbraw/zinc/98/33/92/558983392.db2.gz BKLWWTHOLVKTNG-MOPGFXCFSA-N 1 0 356.447 2.234 20 30 FEEDRO CC[C@@H]1Oc2cc([C@@H](C)[NH2+]CC(=O)NC3(C#N)CCC3)ccc2NC1=O ZINC000525885982 562258523 /nfs/dbraw/zinc/25/85/23/562258523.db2.gz ZVJALOAFFFUZRZ-DOMZBBRYSA-N 1 0 356.426 2.009 20 30 FEEDRO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1C[C@H](C(N)=O)[C@@H](c2ccccc2)C1 ZINC000411984561 558999377 /nfs/dbraw/zinc/99/93/77/558999377.db2.gz RGUXTFXDWCWSAM-QGTPRVQTSA-N 1 0 362.433 2.086 20 30 FEEDRO Cc1cc(NC2CC[NH+](CCC(=O)N(C)C)CC2)c(C#N)cc1[N+](=O)[O-] ZINC000413128439 559080996 /nfs/dbraw/zinc/08/09/96/559080996.db2.gz DENFCLYVRSIAEY-UHFFFAOYSA-N 1 0 359.430 2.130 20 30 FEEDRO C[C@@H]1CN(c2cc(C(F)(F)F)cnc2C#N)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000413217144 559089336 /nfs/dbraw/zinc/08/93/36/559089336.db2.gz XQJYCUKJRREUTA-CZUORRHYSA-N 1 0 367.419 2.434 20 30 FEEDRO C=CC[C@@H](Cc1ccccc1)NC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000413521747 559113837 /nfs/dbraw/zinc/11/38/37/559113837.db2.gz ZOELAKGWBAXJBA-IBGZPJMESA-N 1 0 358.530 2.499 20 30 FEEDRO N#Cc1ccc(Oc2ccc(C(=O)NCC[N@@H+]3CCCOCC3)cc2)nc1 ZINC000526127211 562267694 /nfs/dbraw/zinc/26/76/94/562267694.db2.gz FWTMCHGEKQIDRX-UHFFFAOYSA-N 1 0 366.421 2.198 20 30 FEEDRO C[C@@H]1C[C@@H](CNC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)[C@H](C)O1 ZINC000413738378 559127973 /nfs/dbraw/zinc/12/79/73/559127973.db2.gz APVPQKVFOSBGID-GJYPPUQNSA-N 1 0 358.486 2.445 20 30 FEEDRO C=C[C@@](C)(CCOC)C(=O)NCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000413981240 559144828 /nfs/dbraw/zinc/14/48/28/559144828.db2.gz QEVRPPSWCZSERW-FQEVSTJZSA-N 1 0 360.498 2.359 20 30 FEEDRO C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000415117908 559206200 /nfs/dbraw/zinc/20/62/00/559206200.db2.gz CPEDYBSVDYCZDZ-JOYOIKCWSA-N 1 0 354.357 2.394 20 30 FEEDRO CC(C)[NH+]1CCN(C(=O)NC2CCC(Oc3ncccc3C#N)CC2)CC1 ZINC000527103431 562276637 /nfs/dbraw/zinc/27/66/37/562276637.db2.gz TZJBQNXZBPNLKS-UHFFFAOYSA-N 1 0 371.485 2.379 20 30 FEEDRO C[NH2+]CCCNC(=O)C(=O)Nc1sc2c(c1C#N)CC[C@@H](C(C)C)C2 ZINC000415311277 559223038 /nfs/dbraw/zinc/22/30/38/559223038.db2.gz ZIARVPLOBNTJEG-GFCCVEGCSA-N 1 0 362.499 2.045 20 30 FEEDRO CC(C)[C@@H]1CCc2c(C#N)c(NC(=O)C(=O)N[C@@H]3CCC[NH2+]C3)sc2C1 ZINC000415312403 559223200 /nfs/dbraw/zinc/22/32/00/559223200.db2.gz GCQRGZBZOLRTBP-CHWSQXEVSA-N 1 0 374.510 2.187 20 30 FEEDRO N#Cc1cc(NC(=O)C(=O)N[C@H]2CCC[NH2+]C2)ccc1Oc1ccccc1 ZINC000415318103 559223905 /nfs/dbraw/zinc/22/39/05/559223905.db2.gz QITDIRWLCXYGJA-INIZCTEOSA-N 1 0 364.405 2.157 20 30 FEEDRO CC(C)[C@@H]1CCc2c(C#N)c(NC(=O)C(=O)N3CC[C@H](C[NH3+])C3)sc2C1 ZINC000415355868 559226930 /nfs/dbraw/zinc/22/69/30/559226930.db2.gz PNKTZHOQHSBTRC-CHWSQXEVSA-N 1 0 374.510 2.126 20 30 FEEDRO CC(C)[C@@H]1CCc2c(C#N)c(NC(=O)C(=O)NC(C)(C)C[NH3+])sc2C1 ZINC000415377820 559228981 /nfs/dbraw/zinc/22/89/81/559228981.db2.gz GMKUFHCMARSABC-LLVKDONJSA-N 1 0 362.499 2.173 20 30 FEEDRO CC(C)c1ccc([C@@H]([NH3+])CNC(=O)C(=O)Nc2ccc(C#N)cc2)cc1 ZINC000415378039 559228988 /nfs/dbraw/zinc/22/89/88/559228988.db2.gz GVOPDSSCJIUZDO-SFHVURJKSA-N 1 0 350.422 2.436 20 30 FEEDRO C[C@H]1CN(C(=O)C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)CC[NH2+]1 ZINC000415407248 559232353 /nfs/dbraw/zinc/23/23/53/559232353.db2.gz AZFHHEKPRJORRN-AWEZNQCLSA-N 1 0 364.405 2.109 20 30 FEEDRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C1 ZINC000415429282 559235659 /nfs/dbraw/zinc/23/56/59/559235659.db2.gz DNPFJALBYRNLKK-PWSUYJOCSA-N 1 0 368.359 2.101 20 30 FEEDRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000415443498 559237590 /nfs/dbraw/zinc/23/75/90/559237590.db2.gz FQTQQWMRZJEJSU-GOSISDBHSA-N 1 0 366.421 2.389 20 30 FEEDRO CC(C)[C@@](C)(C[NH3+])NC(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 ZINC000415455572 559239030 /nfs/dbraw/zinc/23/90/30/559239030.db2.gz JWYRSMICLAXIBB-QGZVFWFLSA-N 1 0 360.849 2.892 20 30 FEEDRO C[C@@H]1CCN(C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)C[C@H]1C[NH3+] ZINC000415458051 559239372 /nfs/dbraw/zinc/23/93/72/559239372.db2.gz LNPAHIXFUMODDM-TZMCWYRMSA-N 1 0 372.860 2.846 20 30 FEEDRO C[C@@]1(C[NH3+])CCN(C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)C1 ZINC000415459765 559239546 /nfs/dbraw/zinc/23/95/46/559239546.db2.gz MWPRHBNUFFUGGK-KRWDZBQOSA-N 1 0 358.833 2.600 20 30 FEEDRO CN(C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1)[C@@H](C[NH3+])C1CC1 ZINC000415461511 559239597 /nfs/dbraw/zinc/23/95/97/559239597.db2.gz OAICPBXFMYFHKB-HNNXBMFYSA-N 1 0 358.833 2.598 20 30 FEEDRO CC(C)[C@H]1CCc2c(C#N)c(NC(=O)C(=O)NCC(C)(C)[NH3+])sc2C1 ZINC000415462567 559239614 /nfs/dbraw/zinc/23/96/14/559239614.db2.gz HGUNOLDISMRPAY-NSHDSACASA-N 1 0 362.499 2.173 20 30 FEEDRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 ZINC000415504408 559244586 /nfs/dbraw/zinc/24/45/86/559244586.db2.gz WDYSNJNEUQTLDD-LBPRGKRZSA-N 1 0 372.347 2.029 20 30 FEEDRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)Nc1cccc(C#Cc2ccccc2)c1 ZINC000415542721 559247926 /nfs/dbraw/zinc/24/79/26/559247926.db2.gz QPXPDCWOEVAQHB-VQIMIIECSA-N 1 0 361.445 2.221 20 30 FEEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N[C@H](C)CC[NH3+] ZINC000415548965 559248383 /nfs/dbraw/zinc/24/83/83/559248383.db2.gz FYUCJTWUYTZXSJ-CQSZACIVSA-N 1 0 366.421 2.451 20 30 FEEDRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N ZINC000415562103 559249925 /nfs/dbraw/zinc/24/99/25/559249925.db2.gz OINBOMNOANSIJL-LSDHHAIUSA-N 1 0 369.469 2.484 20 30 FEEDRO O=C(NCC[C@H]1CCC[NH2+]1)C(=O)Nc1cccc(C#Cc2ccccc2)c1 ZINC000415626657 559256238 /nfs/dbraw/zinc/25/62/38/559256238.db2.gz ULFGTDYEIGAKQV-LJQANCHMSA-N 1 0 361.445 2.283 20 30 FEEDRO CO[C@@H]1CCN(C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)[C@@H](C[NH3+])C1 ZINC000415661619 559259150 /nfs/dbraw/zinc/25/91/50/559259150.db2.gz VQWMOAVWCUDIDR-CHWSQXEVSA-N 1 0 372.347 2.427 20 30 FEEDRO CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)N(CCC[NH3+])CC1CCCC1 ZINC000415712480 559264504 /nfs/dbraw/zinc/26/45/04/559264504.db2.gz QTIASPLVFQABOP-UHFFFAOYSA-N 1 0 373.501 2.421 20 30 FEEDRO CN(C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)C1CC([NH3+])C1 ZINC000415794787 559271753 /nfs/dbraw/zinc/27/17/53/559271753.db2.gz WMFUHRWUJLECKH-UHFFFAOYSA-N 1 0 364.405 2.237 20 30 FEEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000415859175 559279216 /nfs/dbraw/zinc/27/92/16/559279216.db2.gz AKKJQQCRHVKETJ-KGLIPLIRSA-N 1 0 360.483 2.278 20 30 FEEDRO C[C@@H]1CN(C(=O)c2cn(CCCC#N)c3ccccc23)[C@@H](C)C[N@@H+]1CCO ZINC000416299205 559303674 /nfs/dbraw/zinc/30/36/74/559303674.db2.gz CNWHXRBAJGYOJA-SJORKVTESA-N 1 0 368.481 2.472 20 30 FEEDRO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)c1cn(CCCC#N)c2ccccc12 ZINC000416299202 559303762 /nfs/dbraw/zinc/30/37/62/559303762.db2.gz CNWHXRBAJGYOJA-DLBZAZTESA-N 1 0 368.481 2.472 20 30 FEEDRO C[NH+](C)C1CCN(S(=O)(=O)c2cc(Br)ccc2C#N)CC1 ZINC000416371339 559308091 /nfs/dbraw/zinc/30/80/91/559308091.db2.gz MNGLLLDFKAVKDE-UHFFFAOYSA-N 1 0 372.288 2.035 20 30 FEEDRO CC[C@@H](C)[N@H+](C)CCNS(=O)(=O)c1cc(Br)ccc1C#N ZINC000416390828 559309606 /nfs/dbraw/zinc/30/96/06/559309606.db2.gz PSYQLPCKKIRKMQ-LLVKDONJSA-N 1 0 374.304 2.329 20 30 FEEDRO N#CCC[C@H](NC(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+])c1ccccc1 ZINC000417912036 559381696 /nfs/dbraw/zinc/38/16/96/559381696.db2.gz IITGNBMFOSORHL-ROUUACIJSA-N 1 0 371.485 2.061 20 30 FEEDRO CCCC[C@@H](C[NH3+])NC(=O)NC1CCC(Oc2ncccc2C#N)CC1 ZINC000418052587 559388340 /nfs/dbraw/zinc/38/83/40/559388340.db2.gz WVRBHDFWKOXUFH-CGZBRXJRSA-N 1 0 359.474 2.460 20 30 FEEDRO C=CCOc1ccc(CNC(=O)N2C[C@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000418172001 559392869 /nfs/dbraw/zinc/39/28/69/559392869.db2.gz WBLMPAKNGILURT-KRWDZBQOSA-N 1 0 359.470 2.148 20 30 FEEDRO N#Cc1ccccc1N1CCN(C(=O)NCC2([NH3+])CCCCCC2)CC1 ZINC000418286246 559396405 /nfs/dbraw/zinc/39/64/05/559396405.db2.gz QVKZBMWXCSXNHJ-UHFFFAOYSA-N 1 0 355.486 2.442 20 30 FEEDRO COCC1(CNC(=O)N(Cc2ccc(C#N)cc2)C2CC2)CC[NH2+]CC1 ZINC000418651347 559409582 /nfs/dbraw/zinc/40/95/82/559409582.db2.gz YAZGPAJCKHCYTG-UHFFFAOYSA-N 1 0 356.470 2.248 20 30 FEEDRO C=CCOCCN(C1CC1)S(=O)(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418930181 559422370 /nfs/dbraw/zinc/42/23/70/559422370.db2.gz DHXPFRRIAULHSW-IBGZPJMESA-N 1 0 364.511 2.258 20 30 FEEDRO C[NH2+]CCN(C)C(=O)C(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000419214299 559432862 /nfs/dbraw/zinc/43/28/62/559432862.db2.gz XKFCBGTVDHGXKE-OAHLLOKOSA-N 1 0 364.449 2.080 20 30 FEEDRO C[C@@H]1CN(Cc2cccc(CNC(=O)NCC3(C#N)CCC3)c2)CCO1 ZINC000419428215 559441591 /nfs/dbraw/zinc/44/15/91/559441591.db2.gz AEOLGTZTSGILIA-MRXNPFEDSA-N 1 0 356.470 2.400 20 30 FEEDRO N#CCC[C@@H](NC(=O)C(=O)N1CCC([NH2+]CC2CC2)CC1)c1ccccc1 ZINC000419470186 559444205 /nfs/dbraw/zinc/44/42/05/559444205.db2.gz FKKKUXREBWULLJ-LJQANCHMSA-N 1 0 368.481 2.138 20 30 FEEDRO CC(C)[NH+]1CCC(O)(CNC(=O)N[C@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000419639740 559451044 /nfs/dbraw/zinc/45/10/44/559451044.db2.gz LTJPMNKPNHNAKE-IBGZPJMESA-N 1 0 370.497 2.470 20 30 FEEDRO CC[NH+](CC)CCOc1ccccc1NC(=O)C(=O)NCC1(C#N)CCC1 ZINC000419814786 559460772 /nfs/dbraw/zinc/46/07/72/559460772.db2.gz IWQLDNQTTYAHHS-UHFFFAOYSA-N 1 0 372.469 2.156 20 30 FEEDRO N#CC1(CNC(=O)C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)CCC1 ZINC000419815941 559460780 /nfs/dbraw/zinc/46/07/80/559460780.db2.gz KDYPYHQBASCHJD-UHFFFAOYSA-N 1 0 354.454 2.073 20 30 FEEDRO C=CCOC[C@@H]1NC(=O)N(CC2([N@H+](C)Cc3ccccc3)CCC2)C1=O ZINC000420011500 559468841 /nfs/dbraw/zinc/46/88/41/559468841.db2.gz YXMFTTWFEBDJHT-KRWDZBQOSA-N 1 0 357.454 2.164 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)cc1C(F)(F)F ZINC000420477086 559489702 /nfs/dbraw/zinc/48/97/02/559489702.db2.gz YYCRZVHYVANLQT-PWSUYJOCSA-N 1 0 361.389 2.373 20 30 FEEDRO CCOC(=O)c1c(NC(=O)NCC[N@H+](C)[C@H](C)CC)c(C#N)cn1CC ZINC000421148148 559526812 /nfs/dbraw/zinc/52/68/12/559526812.db2.gz GCNPUOMJDWNVCD-CYBMUJFWSA-N 1 0 363.462 2.408 20 30 FEEDRO CCOC(=O)c1c(NC(=O)NCC[NH+]2CCCCC2)c(C#N)cn1CC ZINC000421165595 559528095 /nfs/dbraw/zinc/52/80/95/559528095.db2.gz MZBMUTKNBWXION-UHFFFAOYSA-N 1 0 361.446 2.164 20 30 FEEDRO CCOC(=O)c1c(NC(=O)N2CC[N@H+](C)[C@H](C)[C@H]2C)c(C#N)cn1CC ZINC000421176717 559528954 /nfs/dbraw/zinc/52/89/54/559528954.db2.gz SVKUMCZOJYJEON-CHWSQXEVSA-N 1 0 361.446 2.113 20 30 FEEDRO CCCN1C[C@H](C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1=O ZINC000421355977 559540083 /nfs/dbraw/zinc/54/00/83/559540083.db2.gz VRQIKZVBODDENN-INIZCTEOSA-N 1 0 351.454 2.307 20 30 FEEDRO C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)NC1CC[NH+](CC(=C)C)CC1 ZINC000422290659 559576087 /nfs/dbraw/zinc/57/60/87/559576087.db2.gz BJZVFTSRJLOHPS-FQEVSTJZSA-N 1 0 369.509 2.447 20 30 FEEDRO C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000422325307 559578923 /nfs/dbraw/zinc/57/89/23/559578923.db2.gz YQWIMXJRALSGTG-CEXWTWQISA-N 1 0 357.498 2.279 20 30 FEEDRO C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000422432129 559587890 /nfs/dbraw/zinc/58/78/90/559587890.db2.gz MDFJLWBSPNHTAM-AZUAARDMSA-N 1 0 369.509 2.423 20 30 FEEDRO CCC(CC)[C@@H](CNC(=O)C(=O)NCC(C)(C)CC#N)[NH+]1CCCC1 ZINC000422486732 559591279 /nfs/dbraw/zinc/59/12/79/559591279.db2.gz HVCUOGZARGGCQQ-MRXNPFEDSA-N 1 0 350.507 2.059 20 30 FEEDRO C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000422520479 559592555 /nfs/dbraw/zinc/59/25/55/559592555.db2.gz BZTCRISTFOPWKL-PMACEKPBSA-N 1 0 371.525 2.384 20 30 FEEDRO C[C@@H](C(=O)NC1(C#N)CCC1)N1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000527299984 562284377 /nfs/dbraw/zinc/28/43/77/562284377.db2.gz PVAIQQQAGRNFEJ-JKSUJKDBSA-N 1 0 370.501 2.135 20 30 FEEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000423023172 559615424 /nfs/dbraw/zinc/61/54/24/559615424.db2.gz JGGYZJMLWANPFJ-TZMCWYRMSA-N 1 0 367.902 2.127 20 30 FEEDRO C=CCN(Cc1ccccc1)C(=O)C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000423126673 559620227 /nfs/dbraw/zinc/62/02/27/559620227.db2.gz SGZHDBUVTZWRBM-LJQANCHMSA-N 1 0 355.482 2.049 20 30 FEEDRO C=CCN(CCc1ccccc1)C(=O)C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000423190234 559622381 /nfs/dbraw/zinc/62/23/81/559622381.db2.gz QQOSTUZNESUXRY-FQEVSTJZSA-N 1 0 369.509 2.092 20 30 FEEDRO C=CCN(Cc1ccccc1F)C(=O)C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000423190518 559622431 /nfs/dbraw/zinc/62/24/31/559622431.db2.gz SMQGCLCINQAIAW-UHFFFAOYSA-N 1 0 373.472 2.333 20 30 FEEDRO N#Cc1ccc(C(=O)Nc2ccccc2OCCN2CC[NH2+]CC2)cc1 ZINC000424001579 559650243 /nfs/dbraw/zinc/65/02/43/559650243.db2.gz NQMCVJCHMDWMNF-UHFFFAOYSA-N 1 0 350.422 2.095 20 30 FEEDRO N#CCCC[C@@H]([NH3+])C(=O)N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000424098467 559654676 /nfs/dbraw/zinc/65/46/76/559654676.db2.gz CVFPZWSFGLDCNC-CABCVRRESA-N 1 0 366.259 2.370 20 30 FEEDRO N#CCCC[C@@H]([NH3+])C(=O)N1CCN(Cc2ccc(F)cc2Cl)CC1 ZINC000424128420 559655575 /nfs/dbraw/zinc/65/55/75/559655575.db2.gz FIQXOEVQRFKPRO-MRXNPFEDSA-N 1 0 352.841 2.144 20 30 FEEDRO CC(C)(C)c1nc(CN2CCN(C(=O)[C@H]([NH3+])CCCC#N)CC2)cs1 ZINC000424137524 559655930 /nfs/dbraw/zinc/65/59/30/559655930.db2.gz SDDZLACICPWRKQ-OAHLLOKOSA-N 1 0 363.531 2.106 20 30 FEEDRO N#CCCC[C@@H]([NH3+])C(=O)N[C@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000424139833 559655956 /nfs/dbraw/zinc/65/59/56/559655956.db2.gz FNVDNYFRZSLODN-SUMWQHHRSA-N 1 0 350.413 2.067 20 30 FEEDRO COc1cc2[nH]c(CCCNC(=O)[C@H]([NH3+])CCCC#N)cc2c(OC)c1 ZINC000424158719 559656453 /nfs/dbraw/zinc/65/64/53/559656453.db2.gz UIRSXYZQRDCGGY-MRXNPFEDSA-N 1 0 358.442 2.255 20 30 FEEDRO N#CCCC[C@@H]([NH3+])C(=O)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000424178872 559656847 /nfs/dbraw/zinc/65/68/47/559656847.db2.gz XPVPWTBAZISQRW-KGLIPLIRSA-N 1 0 369.252 2.236 20 30 FEEDRO C=C(C)Cn1c(-c2cccn2C)nnc1N1CC[NH+](C(C)(C)COC)CC1 ZINC000424222390 559658412 /nfs/dbraw/zinc/65/84/12/559658412.db2.gz MKFHQUPYMLNWIV-UHFFFAOYSA-N 1 0 372.517 2.407 20 30 FEEDRO C[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000424326997 559661638 /nfs/dbraw/zinc/66/16/38/559661638.db2.gz MILPMTDLPCTFLN-YQQAZPJKSA-N 1 0 363.483 2.050 20 30 FEEDRO C=CCNS(=O)(=O)c1cccc(-c2nc(C3([NH3+])CCCCC3)no2)c1 ZINC000424343488 559661675 /nfs/dbraw/zinc/66/16/75/559661675.db2.gz JOCUPEQNQSLOGF-UHFFFAOYSA-N 1 0 362.455 2.319 20 30 FEEDRO C=CCCn1cc(C(=O)NC[C@@H](c2ccc(OC)cc2)[NH+]2CCCC2)nn1 ZINC000424540919 559668897 /nfs/dbraw/zinc/66/88/97/559668897.db2.gz JKBOJRNFXXYSHH-IBGZPJMESA-N 1 0 369.469 2.430 20 30 FEEDRO CC[NH+](CC)CCCNC(=O)C1CCN(c2cc(C)ncc2C#N)CC1 ZINC000425209558 559691424 /nfs/dbraw/zinc/69/14/24/559691424.db2.gz RTOJPCWFFWSZIA-UHFFFAOYSA-N 1 0 357.502 2.326 20 30 FEEDRO CC[NH+]1CCC(N2CCCN(c3ncc4c(c3C#N)CCC4)CC2)CC1 ZINC000425280455 559694578 /nfs/dbraw/zinc/69/45/78/559694578.db2.gz KBFJNXGFEYWIJB-UHFFFAOYSA-N 1 0 353.514 2.438 20 30 FEEDRO C=C(C)CN(CC)C(=O)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000425373786 559698436 /nfs/dbraw/zinc/69/84/36/559698436.db2.gz NVTIFOZJVNWNGQ-RBUKOAKNSA-N 1 0 355.482 2.144 20 30 FEEDRO C[C@H](c1cccc(C#N)c1)N(C)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000425468429 559703760 /nfs/dbraw/zinc/70/37/60/559703760.db2.gz DOXNWYOZOAJBSE-DLBZAZTESA-N 1 0 357.502 2.144 20 30 FEEDRO C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N(C)[C@@H](C)c1cccc(C#N)c1 ZINC000425874532 559723610 /nfs/dbraw/zinc/72/36/10/559723610.db2.gz RMLOTUPANMVMNN-CVEARBPZSA-N 1 0 356.470 2.068 20 30 FEEDRO C=C[C@H]1CCCCN1C(=O)C(=O)Nc1ccc(OC2CC[NH+](C)CC2)nc1 ZINC000427688630 559760372 /nfs/dbraw/zinc/76/03/72/559760372.db2.gz DFSLGZXAKVVQRK-INIZCTEOSA-N 1 0 372.469 2.060 20 30 FEEDRO C[C@@H](CCCC[NH3+])NS(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000427960921 559766417 /nfs/dbraw/zinc/76/64/17/559766417.db2.gz WIYJOGSDWRGCRX-JTQLQIEISA-N 1 0 360.277 2.117 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N[C@H]1CC(=O)N(C(C)(C)C)C1)C(C)C ZINC000428908829 559785761 /nfs/dbraw/zinc/78/57/61/559785761.db2.gz VKSUWEWBOAYVDO-IRXDYDNUSA-N 1 0 364.534 2.384 20 30 FEEDRO C=CCc1ccccc1OC[C@@H](O)C[NH2+][C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000428999102 559787884 /nfs/dbraw/zinc/78/78/84/559787884.db2.gz LKCVUXXTSSLBAE-YQVWRLOYSA-N 1 0 367.511 2.100 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cnccc2-c2ccccc2)CC1 ZINC000430041218 559811665 /nfs/dbraw/zinc/81/16/65/559811665.db2.gz UNHIHEBSQOCIJY-UHFFFAOYSA-N 1 0 364.449 2.454 20 30 FEEDRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)N[C@@H](CCCC#N)c1ccccc1 ZINC000431285681 559836904 /nfs/dbraw/zinc/83/69/04/559836904.db2.gz UVZAXOURYIJWPF-MJGOQNOKSA-N 1 0 357.502 2.357 20 30 FEEDRO Cc1c(C#N)cccc1NC(=O)C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000431956147 559849239 /nfs/dbraw/zinc/84/92/39/559849239.db2.gz XAHGXHPFHCMTJM-UHFFFAOYSA-N 1 0 354.454 2.282 20 30 FEEDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3cscc3C#N)cn2)CC1 ZINC000432404544 559858087 /nfs/dbraw/zinc/85/80/87/559858087.db2.gz VCYNULTTYCIILR-UHFFFAOYSA-N 1 0 355.467 2.087 20 30 FEEDRO C[NH+](C)CCn1ccc(=NC(=O)N[C@@H](CCCC#N)c2ccccc2)[nH]1 ZINC000432975652 559869199 /nfs/dbraw/zinc/86/91/99/559869199.db2.gz WFWFMMPOZMNRFE-KRWDZBQOSA-N 1 0 354.458 3.001 20 30 FEEDRO C[C@H](C#N)CN(C(=O)C(=O)Nc1cccc2c1OCC[C@@H]2[NH+](C)C)C1CC1 ZINC000435066549 559915438 /nfs/dbraw/zinc/91/54/38/559915438.db2.gz OBLVAZNOROYQOE-DYVFJYSZSA-N 1 0 370.453 2.161 20 30 FEEDRO N#CCCn1cc(C[N@H+]2CCC[C@H](CCC(N)=O)C2)c(-c2ccncc2)n1 ZINC000435135835 559916913 /nfs/dbraw/zinc/91/69/13/559916913.db2.gz VJOKZTQUPIVVTL-MRXNPFEDSA-N 1 0 366.469 2.336 20 30 FEEDRO C[NH+](C)CCC1CCN(S(=O)(=O)Cc2ccc(C#N)cc2F)CC1 ZINC000440063386 560004081 /nfs/dbraw/zinc/00/40/81/560004081.db2.gz PYSDIMKYQVXATR-UHFFFAOYSA-N 1 0 353.463 2.191 20 30 FEEDRO CCN1C[C@H](C)N(C(=O)C(=O)Nc2cc(C#N)ccc2OC(C)C)C[C@@H]1C ZINC000441090057 560023401 /nfs/dbraw/zinc/02/34/01/560023401.db2.gz CAWPVIZPTATDBT-GJZGRUSLSA-N 1 0 372.469 2.225 20 30 FEEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@H](CO)[C@@H]1CCCO1 ZINC000447919304 560173112 /nfs/dbraw/zinc/17/31/12/560173112.db2.gz DQKWZALNOWJWLW-BMFZPTHFSA-N 1 0 363.483 2.149 20 30 FEEDRO COc1cccc([C@@H](CNC(=O)c2ccc(C#N)n2C)[NH+]2CCCC2)c1 ZINC000448576729 560190654 /nfs/dbraw/zinc/19/06/54/560190654.db2.gz DIGBZVQUBJMGPN-LJQANCHMSA-N 1 0 352.438 2.472 20 30 FEEDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 ZINC000448601766 560192084 /nfs/dbraw/zinc/19/20/84/560192084.db2.gz XESFSEONGHBVGX-GDBMZVCRSA-N 1 0 374.872 2.165 20 30 FEEDRO C[NH+]1CCC(CNC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1 ZINC000448860280 560203483 /nfs/dbraw/zinc/20/34/83/560203483.db2.gz OPJIQHKJXNJZGJ-HNNXBMFYSA-N 1 0 374.872 2.023 20 30 FEEDRO CC[NH+]1CCC(NC(=O)COc2ccc(C#N)c(Br)c2)CC1 ZINC000449189936 560219656 /nfs/dbraw/zinc/21/96/56/560219656.db2.gz VSZSHPSIVCIFPZ-UHFFFAOYSA-N 1 0 366.259 2.300 20 30 FEEDRO C=CCc1cc(C[N@H+]2C[C@@H](C(=O)OCC)C3(COC3)C2)cc(OC)c1O ZINC000449365109 560227020 /nfs/dbraw/zinc/22/70/20/560227020.db2.gz OXESLUKTOMHMLJ-INIZCTEOSA-N 1 0 361.438 2.141 20 30 FEEDRO CC(=O)N1CCC[N@H+](C[C@H]2CCCN(Cc3ccc(C#N)cc3)C2)CC1 ZINC000449494043 560231934 /nfs/dbraw/zinc/23/19/34/560231934.db2.gz FYUWUPZZLHIQPN-OAQYLSRUSA-N 1 0 354.498 2.324 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]C1CC(C(=O)OC(C)C)(C(=O)OC(C)C)C1 ZINC000449549527 560233237 /nfs/dbraw/zinc/23/32/37/560233237.db2.gz YUKMUOFYHBHQCM-CVEARBPZSA-N 1 0 353.459 2.362 20 30 FEEDRO N#Cc1c(Br)cccc1OCC(=O)NCC[NH+]1CCCCC1 ZINC000449620474 560234984 /nfs/dbraw/zinc/23/49/84/560234984.db2.gz VUOUBJMMCUAKFZ-UHFFFAOYSA-N 1 0 366.259 2.302 20 30 FEEDRO C[NH+](C)[C@@]1(CNC(=O)c2ccc(Br)cc2C#N)CCSC1 ZINC000450085827 560250216 /nfs/dbraw/zinc/25/02/16/560250216.db2.gz JOGYARRKZLQIHZ-OAHLLOKOSA-N 1 0 368.300 2.488 20 30 FEEDRO CS[C@H]1CN(C(=O)c2cccc(C#N)c2Br)C[C@H]1[NH+](C)C ZINC000450265959 560256373 /nfs/dbraw/zinc/25/63/73/560256373.db2.gz MMMHQYKBIALQJD-OLZOCXBDSA-N 1 0 368.300 2.438 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000451614151 560317402 /nfs/dbraw/zinc/31/74/02/560317402.db2.gz PEILUCWIQKVADP-KFWWJZLASA-N 1 0 351.244 2.488 20 30 FEEDRO CCN(C[C@@H](C)C#N)C(=O)CN1CC[N@H+](Cc2ccccc2)C[C@H](C)C1 ZINC000451703125 560323266 /nfs/dbraw/zinc/32/32/66/560323266.db2.gz DOCRMHOTMOEOHG-OALUTQOASA-N 1 0 356.514 2.448 20 30 FEEDRO C=CCn1c(N2CC[N@H+](CCOC)[C@H](CC)C2)nnc1[C@@]1(C)CCCO1 ZINC000453447461 560386752 /nfs/dbraw/zinc/38/67/52/560386752.db2.gz XKGSDNSPDAHQHT-VQIMIIECSA-N 1 0 363.506 2.037 20 30 FEEDRO Cc1cc(C#N)cc(NC(=O)C(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)c1 ZINC000453585174 560389698 /nfs/dbraw/zinc/38/96/98/560389698.db2.gz XDBLVBJTSTTZOF-GOSISDBHSA-N 1 0 368.412 2.363 20 30 FEEDRO C[NH+](C)C1CCN(C(=O)C(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)CC1 ZINC000453602915 560390643 /nfs/dbraw/zinc/39/06/43/560390643.db2.gz HLBOJCVDJWMTGF-UHFFFAOYSA-N 1 0 372.469 2.227 20 30 FEEDRO CC(C)[N@H+]1C[C@H](NC(=O)C(=O)Nc2ccc(CC#N)cc2Cl)[C@@H](C)C1 ZINC000453665629 560394755 /nfs/dbraw/zinc/39/47/55/560394755.db2.gz GUBHGGTYIYCGMR-LRDDRELGSA-N 1 0 362.861 2.189 20 30 FEEDRO C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)Nc1sc(C(C)(C)C)cc1C#N ZINC000453705467 560398356 /nfs/dbraw/zinc/39/83/56/560398356.db2.gz HKUPDNJIHYQCJQ-LBPRGKRZSA-N 1 0 362.499 2.408 20 30 FEEDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)Nc2ccc(CC#N)cc2Cl)C1 ZINC000453712750 560398870 /nfs/dbraw/zinc/39/88/70/560398870.db2.gz HQPBWTACEXNGOZ-WMLDXEAASA-N 1 0 374.872 2.287 20 30 FEEDRO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1ccc(CC#N)cc1Cl ZINC000453714840 560399059 /nfs/dbraw/zinc/39/90/59/560399059.db2.gz QSHFJLRXDZKOON-CABCVRRESA-N 1 0 374.872 2.430 20 30 FEEDRO CCN(CCC[NH+](C)C)C(=O)C(=O)Nc1ccc(CC#N)cc1Cl ZINC000453749005 560401423 /nfs/dbraw/zinc/40/14/23/560401423.db2.gz YLJHEIMRLXCNTJ-UHFFFAOYSA-N 1 0 350.850 2.145 20 30 FEEDRO C=C(CC)CNC(=O)C(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1C ZINC000454042047 560424337 /nfs/dbraw/zinc/42/43/37/560424337.db2.gz ZANRMVWSFQCXKF-UHFFFAOYSA-N 1 0 358.486 2.158 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1NC(=O)N[C@@H]1CC[N@@H+](CCCOCC)C[C@@H]1C ZINC000454532740 560448516 /nfs/dbraw/zinc/44/85/16/560448516.db2.gz ZBHPTWICRYAILW-MLHJIOFPSA-N 1 0 353.507 2.156 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H](C)C(=O)N2c3ccccc3C[C@@H]2C)CC1 ZINC000454535962 560448683 /nfs/dbraw/zinc/44/86/83/560448683.db2.gz FZQONSYYJBJXIE-HOTGVXAUSA-N 1 0 370.497 2.302 20 30 FEEDRO C=CC[C@@H](CC)NC(=O)N1CCC[C@H](C[N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC000454912648 560463155 /nfs/dbraw/zinc/46/31/55/560463155.db2.gz NCFJYKVQMDKIEA-RTBURBONSA-N 1 0 364.534 2.317 20 30 FEEDRO CC[C@@H](C)[NH+]1CCN(C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CC1 ZINC000455105486 560470329 /nfs/dbraw/zinc/47/03/29/560470329.db2.gz TWEAQSWTWYMUHE-CQSZACIVSA-N 1 0 370.432 2.831 20 30 FEEDRO CC[C@H]1C[N@H+](CC)CCN1C(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000455131811 560471222 /nfs/dbraw/zinc/47/12/22/560471222.db2.gz BTUMAOGPURGOAO-INIZCTEOSA-N 1 0 353.430 2.087 20 30 FEEDRO C[C@@H](CO)[N@@H+]1CCCN(C(=O)Nc2ccc(CC#N)cc2Cl)CC1 ZINC000455728360 560493217 /nfs/dbraw/zinc/49/32/17/560493217.db2.gz HEXDCECGTWSNPZ-ZDUSSCGKSA-N 1 0 350.850 2.326 20 30 FEEDRO C=CCCC(=O)NCC1([NH+]2CCN(c3ccccc3)CC2)CCOCC1 ZINC000456326742 560515558 /nfs/dbraw/zinc/51/55/58/560515558.db2.gz XEAPUCGKNAZICN-UHFFFAOYSA-N 1 0 357.498 2.440 20 30 FEEDRO Cc1cc(C(=O)Nc2ccc(NC(=O)CC[NH+](C)C)cc2)ncc1C#N ZINC000457496468 560570517 /nfs/dbraw/zinc/57/05/17/560570517.db2.gz GHTCRVJOMKFZFM-UHFFFAOYSA-N 1 0 351.410 2.404 20 30 FEEDRO C=C(CNC(=O)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000458746641 560645646 /nfs/dbraw/zinc/64/56/46/560645646.db2.gz BJNNMECNHPJSSA-OAQYLSRUSA-N 1 0 365.477 2.418 20 30 FEEDRO CC(C)(CCC#N)CNC(=O)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000458771221 560647417 /nfs/dbraw/zinc/64/74/17/560647417.db2.gz RCQXARFXHVSHMF-GOSISDBHSA-N 1 0 358.486 2.035 20 30 FEEDRO CCOCC[N@@H+]1CCN(C(=O)NCc2ccc(C#N)c(F)c2)C[C@H]1CC ZINC000459113124 560667651 /nfs/dbraw/zinc/66/76/51/560667651.db2.gz HQKVIWHZRUOLCI-QGZVFWFLSA-N 1 0 362.449 2.340 20 30 FEEDRO CO[C@H]1C[C@H](NC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)C12CCC2 ZINC000459300436 560678388 /nfs/dbraw/zinc/67/83/88/560678388.db2.gz KDCSQSBDCQFHLK-OALUTQOASA-N 1 0 368.481 2.343 20 30 FEEDRO CCOC(=O)c1noc(CN2CCC(Oc3ccc(C#N)cc3)CC2)n1 ZINC000459340108 560680837 /nfs/dbraw/zinc/68/08/37/560680837.db2.gz OXKQJZKMKFKBMF-UHFFFAOYSA-N 1 0 356.382 2.161 20 30 FEEDRO CC(C)[C@H](C#N)N1CCN(C(=O)C[NH2+][C@H](C)CCCc2cccnc2)CC1 ZINC000459645508 560699608 /nfs/dbraw/zinc/69/96/08/560699608.db2.gz ZMEMBBSFOHBXTR-QUCCMNQESA-N 1 0 371.529 2.075 20 30 FEEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N(C)CC[NH+]1CCCC1 ZINC000459866281 560714849 /nfs/dbraw/zinc/71/48/49/560714849.db2.gz SXRXAUJWQLONBF-UHFFFAOYSA-N 1 0 369.918 2.470 20 30 FEEDRO C=C(C)Cn1c([C@H](C)OCCOC)nnc1N1C[C@@H](C)[N@H+](CC)C[C@H]1C ZINC000460563389 560746273 /nfs/dbraw/zinc/74/62/73/560746273.db2.gz VHAGOEHYQDQKCW-ZACQAIPSSA-N 1 0 365.522 2.497 20 30 FEEDRO Cc1nsc(N2CCN(C(=O)c3cccc(C[NH+](C)C)c3)CC2)c1C#N ZINC000461187131 560763323 /nfs/dbraw/zinc/76/33/23/560763323.db2.gz BOWGNYSXHMJENX-UHFFFAOYSA-N 1 0 369.494 2.347 20 30 FEEDRO CC[NH+](CC)CCOc1ccccc1NC(=O)C(=O)N[C@H]1CCC[C@@H]1C#N ZINC000461781040 560783222 /nfs/dbraw/zinc/78/32/22/560783222.db2.gz ZOHKRFAOXTVIJR-CVEARBPZSA-N 1 0 372.469 2.154 20 30 FEEDRO COCC[N@H+](C)CCCC1CCN(C(=O)N[C@H]2CCC[C@H]2C#N)CC1 ZINC000461964910 560790078 /nfs/dbraw/zinc/79/00/78/560790078.db2.gz WMCTWISTPICAOV-ROUUACIJSA-N 1 0 350.507 2.459 20 30 FEEDRO COc1cc(CNC(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)ccc1C#N ZINC000462469328 560811289 /nfs/dbraw/zinc/81/12/89/560811289.db2.gz ARMHOCQDDGUINW-QGZVFWFLSA-N 1 0 356.470 2.440 20 30 FEEDRO COc1cc(C#N)ccc1S(=O)(=O)NC[C@H](C)[N@@H+]1CCCC[C@H]1C ZINC000463672194 560820863 /nfs/dbraw/zinc/82/08/63/560820863.db2.gz IFVPTLMCAZGIMT-KGLIPLIRSA-N 1 0 351.472 2.108 20 30 FEEDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc(C#N)cc2OC)C[C@@H]1C ZINC000464420367 560841217 /nfs/dbraw/zinc/84/12/17/560841217.db2.gz PTEPWNAPEQHZRI-ZFWWWQNUSA-N 1 0 351.472 2.060 20 30 FEEDRO N#Cc1cccc(CCNC(=O)N2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000466816637 560896567 /nfs/dbraw/zinc/89/65/67/560896567.db2.gz PIAJAVKAFVFBRN-UHFFFAOYSA-N 1 0 370.497 2.387 20 30 FEEDRO C=CCOc1cc(OC)ccc1C(=O)N1C[C@H](SC)[C@@H]([NH+](C)C)C1 ZINC000468013236 560921127 /nfs/dbraw/zinc/92/11/27/560921127.db2.gz DIVMJQVBDZAOMJ-RDJZCZTQSA-N 1 0 350.484 2.378 20 30 FEEDRO N#C[C@@H](NC(=O)CC[NH+]1CCN(c2ccccn2)CC1)c1ccc(F)cc1 ZINC000468189062 560924397 /nfs/dbraw/zinc/92/43/97/560924397.db2.gz ZYIJWVGCUXYNJB-GOSISDBHSA-N 1 0 367.428 2.114 20 30 FEEDRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)c1ccc(-n2ncc(C#N)c2N)cc1 ZINC000468478415 560930925 /nfs/dbraw/zinc/93/09/25/560930925.db2.gz BSJHFMBINNKWBG-KRWDZBQOSA-N 1 0 366.469 2.176 20 30 FEEDRO C=C[C@@](C)(O)CC(=O)NCCCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000469515365 560956788 /nfs/dbraw/zinc/95/67/88/560956788.db2.gz LZBIBERUJJWABZ-OAQYLSRUSA-N 1 0 359.514 2.341 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@](C)(C(=O)OC)C1)C(C)C ZINC000470900296 560993245 /nfs/dbraw/zinc/99/32/45/560993245.db2.gz OTQZABMHPMQCNG-APWZRJJASA-N 1 0 351.491 2.280 20 30 FEEDRO C=CCC[C@@H](O)C[NH+]1CCN([C@H](C(=O)OC)c2ccc(Cl)cc2)CC1 ZINC000472752758 561034475 /nfs/dbraw/zinc/03/44/75/561034475.db2.gz OTCSPUXGZNNLRF-MSOLQXFVSA-N 1 0 366.889 2.499 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N2C[C@@H](CC)N(C(C)=O)C[C@@H]2CC)CC1 ZINC000472998333 561039857 /nfs/dbraw/zinc/03/98/57/561039857.db2.gz GBKBEODNHHTKFM-MOPGFXCFSA-N 1 0 364.534 2.458 20 30 FEEDRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)NCCOc2ccc(C#N)cc2)C1 ZINC000473015158 561040398 /nfs/dbraw/zinc/04/03/98/561040398.db2.gz QZRVZJSRYNTIOV-LJQANCHMSA-N 1 0 374.485 2.079 20 30 FEEDRO Cc1nc(C#N)c(N2CCC(C(=O)NCC(C)(C)[NH+]3CCCCC3)CC2)o1 ZINC000473291136 561046709 /nfs/dbraw/zinc/04/67/09/561046709.db2.gz CLMVFXFUSLVDDS-UHFFFAOYSA-N 1 0 373.501 2.452 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)NC[C@@H]1CCCN(C(C)=O)C1)C(C)C ZINC000474053338 561064550 /nfs/dbraw/zinc/06/45/50/561064550.db2.gz CWZIWFIUFAXNTO-OALUTQOASA-N 1 0 364.534 2.243 20 30 FEEDRO COc1ccc([C@@H](CNC(=O)c2cnn(C)c2C#N)[NH+]2CCCCC2)cc1 ZINC000474201665 561068223 /nfs/dbraw/zinc/06/82/23/561068223.db2.gz XUEQDCGXMMITII-LJQANCHMSA-N 1 0 367.453 2.257 20 30 FEEDRO CN(CC(=O)NCc1cccc(C#N)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000474210686 561068402 /nfs/dbraw/zinc/06/84/02/561068402.db2.gz KOASWBYTZQFUHA-NRFANRHFSA-N 1 0 362.477 2.381 20 30 FEEDRO C[NH+](C)Cc1ccc(CNC(=O)C(=O)Nc2ccc(C#N)cc2F)cc1F ZINC000476496678 561120916 /nfs/dbraw/zinc/12/09/16/561120916.db2.gz WZTYWUPRQVKWNJ-UHFFFAOYSA-N 1 0 372.375 2.153 20 30 FEEDRO CO[C@H](Cc1ccc(F)cc1)C[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000528357673 562324678 /nfs/dbraw/zinc/32/46/78/562324678.db2.gz KGCPSFAIBNTDJH-LJQANCHMSA-N 1 0 354.429 2.472 20 30 FEEDRO O=C1c2ccccc2C(=O)N1CC#CCN1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000528387590 562326447 /nfs/dbraw/zinc/32/64/47/562326447.db2.gz DSTUQAHKXPPLHU-GOSISDBHSA-N 1 0 365.477 2.094 20 30 FEEDRO COc1cccc([C@H]2CN(C[C@@H](O)COc3ccccc3C#N)CCO2)c1 ZINC000528405533 562327278 /nfs/dbraw/zinc/32/72/78/562327278.db2.gz LOCAOHHDBTWDQJ-WIYYLYMNSA-N 1 0 368.433 2.380 20 30 FEEDRO N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000528427473 562328811 /nfs/dbraw/zinc/32/88/11/562328811.db2.gz ZEUNUTBHPKYYHF-WMZOPIPTSA-N 1 0 367.453 2.104 20 30 FEEDRO C[C@H](O)C[C@@H]1CCCCC[N@@H+]1CC#CCN1C(=O)c2ccccc2C1=O ZINC000528504070 562332764 /nfs/dbraw/zinc/33/27/64/562332764.db2.gz GNJMKTBULBMAQQ-IRXDYDNUSA-N 1 0 354.450 2.302 20 30 FEEDRO C[C@@H](O)C[C@H]1CCCCC[N@@H+]1CC#CCN1C(=O)c2ccccc2C1=O ZINC000528504064 562332952 /nfs/dbraw/zinc/33/29/52/562332952.db2.gz GNJMKTBULBMAQQ-IAGOWNOFSA-N 1 0 354.450 2.302 20 30 FEEDRO N#Cc1ccccc1OC[C@H](O)C[NH+]1CCC(F)(c2cncnc2)CC1 ZINC000528507340 562333105 /nfs/dbraw/zinc/33/31/05/562333105.db2.gz SHKWLXOQELITSW-QGZVFWFLSA-N 1 0 356.401 2.049 20 30 FEEDRO O=C1c2ccccc2C(=O)N1CC#CC[N@H+]1CCCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000528522145 562333851 /nfs/dbraw/zinc/33/38/51/562333851.db2.gz SKENUGUFBQOYRL-AQNXPRMDSA-N 1 0 366.461 2.302 20 30 FEEDRO N#Cc1cc(F)ccc1CS(=O)(=O)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000528551785 562335800 /nfs/dbraw/zinc/33/58/00/562335800.db2.gz PFOXVXHUIXZVLH-QGZVFWFLSA-N 1 0 351.447 2.134 20 30 FEEDRO N#Cc1ccc(CS(=O)(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)c(F)c1 ZINC000528555262 562336115 /nfs/dbraw/zinc/33/61/15/562336115.db2.gz WSIIFHYGVDBHGF-INIZCTEOSA-N 1 0 351.447 2.134 20 30 FEEDRO C=CCn1cc(CNC(=O)[C@@H]2CCCN2Cc2ccc(Cl)cc2)nn1 ZINC000529501385 562375527 /nfs/dbraw/zinc/37/55/27/562375527.db2.gz FTSWHBYVCVUKON-KRWDZBQOSA-N 1 0 359.861 2.398 20 30 FEEDRO Cc1nc(C#N)c(N2CCC(C(=O)NC[C@H]3CC[N@@H+]3C3CCCC3)CC2)o1 ZINC000530026775 562394968 /nfs/dbraw/zinc/39/49/68/562394968.db2.gz IXAKARTYBNXHMG-QGZVFWFLSA-N 1 0 371.485 2.204 20 30 FEEDRO N#Cc1ccccc1OC[C@@H](O)C[NH2+][C@@H]1CCCN(C2CCCCC2)C1=O ZINC000530230615 562403061 /nfs/dbraw/zinc/40/30/61/562403061.db2.gz BIOAEHLPTRUETH-RBUKOAKNSA-N 1 0 371.481 2.211 20 30 FEEDRO N#Cc1ccccc1OC[C@@H](O)C[NH2+][C@@H]1CCN(c2ccccc2F)C1 ZINC000530233353 562403178 /nfs/dbraw/zinc/40/31/78/562403178.db2.gz IBOGZTQSZULVHJ-SJORKVTESA-N 1 0 355.413 2.306 20 30 FEEDRO N#Cc1ccccc1OC[C@H](O)C[NH2+]C1CCN(c2nccs2)CC1 ZINC000530232863 562403208 /nfs/dbraw/zinc/40/32/08/562403208.db2.gz BRHKGCBEFQYICX-MRXNPFEDSA-N 1 0 358.467 2.013 20 30 FEEDRO N#Cc1cccc(C2(C(=O)NCC3([NH+]4CCCC4)CCOCC3)CC2)c1 ZINC000532938263 562492992 /nfs/dbraw/zinc/49/29/92/562492992.db2.gz NMJSLUKADJHYRJ-UHFFFAOYSA-N 1 0 353.466 2.351 20 30 FEEDRO CC[C@@H](C)[C@@H]1CCCC[N@@H+]1CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 ZINC000533289957 562504115 /nfs/dbraw/zinc/50/41/15/562504115.db2.gz HSWNPGCJBYHECG-QAPCUYQASA-N 1 0 373.501 2.404 20 30 FEEDRO C[C@@H](NC(=O)C(=O)NCc1ccc(C[NH+](C)C)cc1)c1ccc(C#N)cc1 ZINC000550121161 562642980 /nfs/dbraw/zinc/64/29/80/562642980.db2.gz WXDUDJWAIIRMNE-OAHLLOKOSA-N 1 0 364.449 2.113 20 30 FEEDRO C[C@H](CNC(=O)C(=O)Nc1scc(C(C)(C)C)c1C#N)[N@H+](C)C1CC1 ZINC000555939982 674381983 /nfs/dbraw/zinc/38/19/83/674381983.db2.gz GXXYECPUYOVJAB-LLVKDONJSA-N 1 0 362.499 2.455 20 30 FEEDRO CC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1cc(Br)ccc1C#N ZINC000555947814 674382946 /nfs/dbraw/zinc/38/29/46/674382946.db2.gz COEDYAMWGXAIAP-ZDUSSCGKSA-N 1 0 372.288 2.083 20 30 FEEDRO CS(=O)(=O)C[C@@H]([NH2+]C1CCC(Oc2ncccc2C#N)CC1)C1CC1 ZINC000556249675 674393629 /nfs/dbraw/zinc/39/36/29/674393629.db2.gz ZXBIPAZYHRPNAC-OFLPRAFFSA-N 1 0 363.483 2.056 20 30 FEEDRO C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N(C)[C@H]1CCC[C@@H]1C#N ZINC000601853438 567861095 /nfs/dbraw/zinc/86/10/95/567861095.db2.gz AMMSOGKHZYWYCO-NCOADZHNSA-N 1 0 356.474 2.128 20 30 FEEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]Cc1cccc(CS(C)(=O)=O)c1 ZINC000602531639 567988351 /nfs/dbraw/zinc/98/83/51/567988351.db2.gz WBBZXZYIFDTASK-HNNXBMFYSA-N 1 0 350.484 2.420 20 30 FEEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]CCN(C)S(=O)(=O)c1cccs1 ZINC000602574620 567996465 /nfs/dbraw/zinc/99/64/65/567996465.db2.gz KQEQJFRXPPHTAW-AWEZNQCLSA-N 1 0 371.528 2.057 20 30 FEEDRO C[C@@H]1C[NH+](CCC(=O)N[C@@H]2CCCc3ccccc32)C[C@@H](C)N1CC#N ZINC000602858783 568003033 /nfs/dbraw/zinc/00/30/33/568003033.db2.gz VDXPJJUGBYWSDU-MBOZVWFJSA-N 1 0 354.498 2.488 20 30 FEEDRO COc1ccc(CN2CC[C@@H]([NH2+]C3CCC(C#N)CC3)C2=O)c(OC)c1 ZINC000602657524 568006451 /nfs/dbraw/zinc/00/64/51/568006451.db2.gz YPPJGAXXPQYQNU-JFUPDXTOSA-N 1 0 357.454 2.477 20 30 FEEDRO CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000602918586 568012861 /nfs/dbraw/zinc/01/28/61/568012861.db2.gz UGXIEDLVFOHMRA-BPQIPLTHSA-N 1 0 351.397 2.439 20 30 FEEDRO CCN(Cc1ccc2c(c1)OCCO2)C(=O)CN(C)[C@H]1CCC[C@@H]1C#N ZINC000602975366 568035890 /nfs/dbraw/zinc/03/58/90/568035890.db2.gz ABAXIMIMIRKMSP-SJORKVTESA-N 1 0 357.454 2.430 20 30 FEEDRO COC(=O)c1ncc(NC(=O)N(CCC#N)CCC[NH+](C)C)cc1Cl ZINC000603047147 568055101 /nfs/dbraw/zinc/05/51/01/568055101.db2.gz FTUMAPKNWWOPBX-UHFFFAOYSA-N 1 0 367.837 2.221 20 30 FEEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000605985819 568063036 /nfs/dbraw/zinc/06/30/36/568063036.db2.gz MNHIWJZHCRDJBT-UHFFFAOYSA-N 1 0 374.529 2.420 20 30 FEEDRO C=CCSc1ccccc1NC(=O)Cn1cc(CSCC[NH3+])nn1 ZINC000603177857 568068233 /nfs/dbraw/zinc/06/82/33/568068233.db2.gz HAYXICZFDUYZTM-UHFFFAOYSA-N 1 0 363.512 2.387 20 30 FEEDRO C[NH2+]C(C)(C)c1cn(CC(=O)N(CCC#N)c2cccc(C)c2C)nn1 ZINC000603207819 568073736 /nfs/dbraw/zinc/07/37/36/568073736.db2.gz WRWHYTWJGFNOIB-UHFFFAOYSA-N 1 0 354.458 2.296 20 30 FEEDRO CC(C)(C#N)c1ccccc1Cn1cc(CCN2CCC([NH3+])CC2)nn1 ZINC000603251809 568078626 /nfs/dbraw/zinc/07/86/26/568078626.db2.gz UXCCPYIWIWETRS-UHFFFAOYSA-N 1 0 352.486 2.093 20 30 FEEDRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)C1 ZINC000568609523 568089572 /nfs/dbraw/zinc/08/95/72/568089572.db2.gz ANMDBCCRVBYPMY-XNGJBWTFSA-N 1 0 357.458 2.022 20 30 FEEDRO CC(=O)c1cccc(OC[C@H](O)C[NH2+]CCOc2ccc(C#N)cc2)c1 ZINC000569111623 568277907 /nfs/dbraw/zinc/27/79/07/568277907.db2.gz UPUZJMXDEDMHDD-GOSISDBHSA-N 1 0 354.406 2.169 20 30 FEEDRO CCOC(=O)C1CCC([N@H+](CC)C[C@@H]2CNc3c(C#N)cnn3C2)CC1 ZINC000563149366 568289399 /nfs/dbraw/zinc/28/93/99/568289399.db2.gz IXYKGTZADZADFG-UQPPLGOBSA-N 1 0 359.474 2.240 20 30 FEEDRO C=CC(C)(C)CCNC(=O)C(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000637008538 568301028 /nfs/dbraw/zinc/30/10/28/568301028.db2.gz QLEABGHRMSNFCZ-UHFFFAOYSA-N 1 0 372.513 2.128 20 30 FEEDRO CCOC(=O)C1CCC(O)(C[N@H+](C)CCOCc2ccc(C#N)cc2)CC1 ZINC000569735544 568414888 /nfs/dbraw/zinc/41/48/88/568414888.db2.gz CUFVLSPFUUNMTG-UHFFFAOYSA-N 1 0 374.481 2.491 20 30 FEEDRO CC(C)(C)NS(=O)(=O)CC[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC000570387300 568482414 /nfs/dbraw/zinc/48/24/14/568482414.db2.gz PETLKZLQEBODHJ-UHFFFAOYSA-N 1 0 363.405 2.385 20 30 FEEDRO C[C@H]([NH2+]CCC(=O)Nc1sccc1-c1nn[nH]n1)c1ccc(C#N)cc1 ZINC000736136991 598559582 /nfs/dbraw/zinc/55/95/82/598559582.db2.gz VFYLSVYXPFBZIH-NSHDSACASA-N 1 0 367.438 2.479 20 30 FEEDRO C[NH+]1CCC(C[NH2+][C@H](C(=O)[O-])c2ccc(C#N)cc2)(N2CCCCC2)CC1 ZINC000830923256 600756190 /nfs/dbraw/zinc/75/61/90/600756190.db2.gz DDDVCBDIHYFSCZ-IBGZPJMESA-N 1 0 370.497 2.224 20 30 FEEDRO N#Cc1ccc([C@H](C(=O)[O-])[NH+]2CCC(OCC[NH+]3CCCC3)CC2)cc1 ZINC000833072045 600824939 /nfs/dbraw/zinc/82/49/39/600824939.db2.gz NNVVRLMLWAQCRH-LJQANCHMSA-N 1 0 357.454 2.261 20 30 FEEDRO N#Cc1ccc([C@@H](C(=O)[O-])[NH+]2CCC(OCC[NH+]3CCCC3)CC2)cc1 ZINC000833072044 600825113 /nfs/dbraw/zinc/82/51/13/600825113.db2.gz NNVVRLMLWAQCRH-IBGZPJMESA-N 1 0 357.454 2.261 20 30 FEEDRO CCC[N@H+](CC)C[C@H](C)NC(=O)C(=O)Nc1cc(C#N)ccc1Cl ZINC000558549326 674502829 /nfs/dbraw/zinc/50/28/29/674502829.db2.gz YVOZWMPZMJAWGA-LBPRGKRZSA-N 1 0 350.850 2.387 20 30 FEEDRO C[C@@H]1C[N@H+](Cc2ccccc2-c2nn[nH]n2)CCN1Cc1ccccc1C#N ZINC000822000319 606178278 /nfs/dbraw/zinc/17/82/78/606178278.db2.gz HRMIEHBFWHXQPK-MRXNPFEDSA-N 1 0 373.464 2.445 20 30 FEEDRO N#Cc1ccc(C[N@@H+](C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)C2CC2)cc1 ZINC000822825725 606889803 /nfs/dbraw/zinc/88/98/03/606889803.db2.gz MVSFZJXEHSEKDO-LJQANCHMSA-N 1 0 360.421 2.436 20 30 FEEDRO C[C@@H]([NH2+]CC(=O)N(C)C1(C#N)CCCCC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824554063 608463579 /nfs/dbraw/zinc/46/35/79/608463579.db2.gz MFCKDGZRWGIAOU-CQSZACIVSA-N 1 0 367.457 2.202 20 30 FEEDRO C=CCCCC[NH+]1CCN(CCNS(=O)(=O)c2ccc(C)cc2)CC1 ZINC000560208471 674572182 /nfs/dbraw/zinc/57/21/82/674572182.db2.gz CNTJPDDKQSJDNL-UHFFFAOYSA-N 1 0 365.543 2.247 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1NC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000560492347 674594471 /nfs/dbraw/zinc/59/44/71/674594471.db2.gz YGOWPCDUACVOMU-SJORKVTESA-N 1 0 351.491 2.054 20 30 FEEDRO N#C[C@@H](c1cccc(Cl)c1)N1CC[NH+](C[C@H]2CCNC(=O)CC2)CC1 ZINC000562542257 674767211 /nfs/dbraw/zinc/76/72/11/674767211.db2.gz HFGOHNMIQKWDBN-QAPCUYQASA-N 1 0 360.889 2.439 20 30 FEEDRO CCC[C@H]1CNCCN1S(=O)(=O)c1cccc(Br)c1C#N ZINC000563133891 674848805 /nfs/dbraw/zinc/84/88/05/674848805.db2.gz FRWKGGVCPOQUAQ-NSHDSACASA-N 1 0 372.288 2.083 20 30 FEEDRO CC(=NNC(=S)NC1CC[NH+](Cc2ccccc2)CC1)c1csnn1 ZINC000814727469 674876347 /nfs/dbraw/zinc/87/63/47/674876347.db2.gz PEYXPUGIWVEZBK-UHFFFAOYSA-N 1 0 374.539 2.391 20 30 FEEDRO CC(=NN=C1NS(=O)(=O)c2ccccc21)c1cccc(C[NH+](C)C)c1 ZINC000814799244 674880667 /nfs/dbraw/zinc/88/06/67/674880667.db2.gz YLYHHSYBTGUMTH-UHFFFAOYSA-N 1 0 356.451 2.211 20 30 FEEDRO C#CCNC(=O)CC[NH2+][C@]1(CNC(=O)OC(C)(C)C)CCCC[C@H]1C ZINC000815069522 674911263 /nfs/dbraw/zinc/91/12/63/674911263.db2.gz CCUXZDDRMGZIBL-BEFAXECRSA-N 1 0 351.491 2.189 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cc(C)cc(C(F)(F)F)c1 ZINC000815860429 674978757 /nfs/dbraw/zinc/97/87/57/674978757.db2.gz KXPFCFJOMDLOQV-UHFFFAOYSA-N 1 0 355.360 2.024 20 30 FEEDRO Cc1nsc(NC[C@@H]2C[C@H](C)CCN2C(=O)[C@H]2CCC[N@@H+]2C)c1C#N ZINC001048062318 675004731 /nfs/dbraw/zinc/00/47/31/675004731.db2.gz YBEYCUVDVKZKND-IVMMDQJWSA-N 1 0 361.515 2.456 20 30 FEEDRO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CCN1c1nc(Cl)c(C#N)s1 ZINC001048710957 675013586 /nfs/dbraw/zinc/01/35/86/675013586.db2.gz NANYNTGVWZMQOH-GRYCIOLGSA-N 1 0 367.906 2.093 20 30 FEEDRO CN(CCC#N)C[C@@H](O)C[NH2+][C@H]1CCc2c1ccc(F)c2Br ZINC000564859649 675069537 /nfs/dbraw/zinc/06/95/37/675069537.db2.gz WVVILDVYQXEQEH-NHYWBVRUSA-N 1 0 370.266 2.371 20 30 FEEDRO CNC(=O)[C@H](C[NH2+]Cc1ccc(C#N)s1)Cc1ccc(OC)c(F)c1 ZINC000564961671 675082176 /nfs/dbraw/zinc/08/21/76/675082176.db2.gz VMFKVMJPKBRNLZ-ZDUSSCGKSA-N 1 0 361.442 2.462 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)NCC(C)(C)NC(=O)OC(C)(C)C)CC1 ZINC000074132512 670514889 /nfs/dbraw/zinc/51/48/89/670514889.db2.gz PTAXFAUQNZZQPX-UHFFFAOYSA-N 1 0 354.495 2.239 20 30 FEEDRO C=C(C)CN(CC)C(=O)C(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000569681130 670595796 /nfs/dbraw/zinc/59/57/96/670595796.db2.gz PVMMAQROBSARLZ-MRXNPFEDSA-N 1 0 351.878 2.484 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]C[C@@H](O)COc1ccc(Br)cc1 ZINC000570272776 670688093 /nfs/dbraw/zinc/68/80/93/670688093.db2.gz GIFCWVGKLVDJNI-BJJXKVORSA-N 1 0 356.260 2.370 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C[C@](O)(c2ccc(C)o2)C(F)(F)F)CC1 ZINC000091048717 670717024 /nfs/dbraw/zinc/71/70/24/670717024.db2.gz PSFPOHTUESXBGA-INIZCTEOSA-N 1 0 360.376 2.495 20 30 FEEDRO CCc1cccc(CC)c1NC(=[NH2+])NCCCN(CC)S(C)(=O)=O ZINC000104176940 670791050 /nfs/dbraw/zinc/79/10/50/670791050.db2.gz CIQGJELYLJJNHE-UHFFFAOYSA-N 1 0 354.520 2.210 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000570955979 670792734 /nfs/dbraw/zinc/79/27/34/670792734.db2.gz NXXMFCMVOKVWNE-WFASDCNBSA-N 1 0 374.300 2.404 20 30 FEEDRO CCNC(=S)C(C(=O)c1cc(C(=O)OC)co1)[n+]1ccc(CC)cc1 ZINC000105391687 670800879 /nfs/dbraw/zinc/80/08/79/670800879.db2.gz KNLWMBKPYICCCN-UHFFFAOYSA-O 1 0 361.443 2.464 20 30 FEEDRO COC[C@H](Cc1ccccc1)[NH2+]CCS(=O)(=O)c1cccc(C#N)c1 ZINC000565712192 675145362 /nfs/dbraw/zinc/14/53/62/675145362.db2.gz NGHBGMJIPCQRMD-SFHVURJKSA-N 1 0 358.463 2.179 20 30 FEEDRO CC(C)(C)c1cc(C#N)c(NC(=O)C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)s1 ZINC000571297658 670851749 /nfs/dbraw/zinc/85/17/49/670851749.db2.gz ISFBATACHRPZHU-CYZMBNFOSA-N 1 0 360.483 2.051 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)S(=O)(=O)CC1(C#N)CCC1 ZINC000572167138 670969099 /nfs/dbraw/zinc/96/90/99/670969099.db2.gz RKNFAZOIRPBWRE-UHFFFAOYSA-N 1 0 371.453 2.352 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)cc1Br ZINC000572761766 671042028 /nfs/dbraw/zinc/04/20/28/671042028.db2.gz DUSJPCUYTWYIIO-ZYHUDNBSSA-N 1 0 372.288 2.117 20 30 FEEDRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 ZINC000573296684 671104642 /nfs/dbraw/zinc/10/46/42/671104642.db2.gz XQZBZSBLWALTNC-OAHLLOKOSA-N 1 0 365.499 2.223 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+]C[C@@H]2CSc3ccccc32)nc1 ZINC000566120959 675183405 /nfs/dbraw/zinc/18/34/05/675183405.db2.gz ZZMGDFYSFQYBDU-CQSZACIVSA-N 1 0 359.476 2.206 20 30 FEEDRO C[C@H]([NH3+])[C@@H]1CCCN(S(=O)(=O)c2ccc(C#N)c(Br)c2)C1 ZINC000566216086 675194795 /nfs/dbraw/zinc/19/47/95/675194795.db2.gz LOKCLCUKQKYPAN-CMPLNLGQSA-N 1 0 372.288 2.069 20 30 FEEDRO CN(C)[C@H](C[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)c1ccsc1 ZINC000576762413 671392675 /nfs/dbraw/zinc/39/26/75/671392675.db2.gz OLCYIFCQFQZEFU-QGZVFWFLSA-N 1 0 363.508 2.286 20 30 FEEDRO N#Cc1cc(F)ccc1CS(=O)(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000580037611 671777858 /nfs/dbraw/zinc/77/78/58/671777858.db2.gz BFXXZSPPMDBIFZ-GOSISDBHSA-N 1 0 365.474 2.477 20 30 FEEDRO C[NH+]1CCC(C#N)(NC(=O)CCSc2ccc3c(c2)OCCO3)CC1 ZINC000609988618 675945923 /nfs/dbraw/zinc/94/59/23/675945923.db2.gz PGPHVWYTCQMCLB-UHFFFAOYSA-N 1 0 361.467 2.044 20 30 FEEDRO N#CCCC[C@@H]([NH3+])C(=O)Nc1cc(-c2cccc(Cl)c2)nn1CCO ZINC000581487409 671902710 /nfs/dbraw/zinc/90/27/10/671902710.db2.gz MGMGTXNOKXOUMH-CQSZACIVSA-N 1 0 361.833 2.155 20 30 FEEDRO Cc1nc(CNC(NCC(=O)N(C)C)=[NH+]C2CCCCC2)sc1C ZINC000127598132 672038939 /nfs/dbraw/zinc/03/89/39/672038939.db2.gz BTQIFIOXMBIBOJ-UHFFFAOYSA-N 1 0 351.520 2.216 20 30 FEEDRO C[NH+](C)[C@]1(CNC(=O)[C@H]2CCCN2c2ccc(C#N)cc2)CCSC1 ZINC000610497289 675975953 /nfs/dbraw/zinc/97/59/53/675975953.db2.gz YSXCAEGCPFVSJW-MJGOQNOKSA-N 1 0 358.511 2.081 20 30 FEEDRO CS(=O)(=O)N1CC[C@@H](C[NH+]=C(Nc2ccccc2)N2CCCCC2)C1 ZINC000133836837 672116031 /nfs/dbraw/zinc/11/60/31/672116031.db2.gz JFTTWOLFLNTCEP-INIZCTEOSA-N 1 0 364.515 2.222 20 30 FEEDRO CN(CCCC[NH+](C)C)S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000610657651 675987178 /nfs/dbraw/zinc/98/71/78/675987178.db2.gz JSOYHLNHKAHEGU-UHFFFAOYSA-N 1 0 374.304 2.283 20 30 FEEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@@H]2CCCS(=O)(=O)C2)ccc1OC ZINC000183256704 672464063 /nfs/dbraw/zinc/46/40/63/672464063.db2.gz MDGZSQVUOGIBTG-HUUCEWRRSA-N 1 0 352.456 2.043 20 30 FEEDRO N#CCCn1cc(C[NH2+]CC[C@H](O)C(F)(F)F)c(-c2ccncc2)n1 ZINC000589196563 672513132 /nfs/dbraw/zinc/51/31/32/672513132.db2.gz NSMRULYOFFQXCU-AWEZNQCLSA-N 1 0 353.348 2.262 20 30 FEEDRO C[N@@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)CSCc1ccc(C#N)cc1 ZINC000590402445 672579448 /nfs/dbraw/zinc/57/94/48/672579448.db2.gz UGDDQPCEAASZBH-QZTJIDSGSA-N 1 0 359.495 2.113 20 30 FEEDRO C[N@@H+]1CC[C@](O)(CNC(=O)Nc2cccc(C#Cc3cccs3)c2)C1 ZINC000680831679 672605191 /nfs/dbraw/zinc/60/51/91/672605191.db2.gz KPPDZIADHIBZBA-IBGZPJMESA-N 1 0 355.463 2.336 20 30 FEEDRO C[C@@H](OC[C@H](O)C[NH2+]C1CCN(CC#N)CC1)c1ccc(Cl)cc1 ZINC000591736333 672706630 /nfs/dbraw/zinc/70/66/30/672706630.db2.gz OZBWVZVPBIUDDQ-RDTXWAMCSA-N 1 0 351.878 2.356 20 30 FEEDRO CC[C@H](C)NC(=[NH2+])NCc1ccccc1S(=O)(=O)N1CCCCC1 ZINC000194685915 672765842 /nfs/dbraw/zinc/76/58/42/672765842.db2.gz INSRSNNYKKWQSZ-AWEZNQCLSA-N 1 0 352.504 2.064 20 30 FEEDRO CC[C@@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)CC[C@H]1[NH3+] ZINC000592381855 672794960 /nfs/dbraw/zinc/79/49/60/672794960.db2.gz HUYANKWYFDCBOS-QMTHXVAHSA-N 1 0 361.389 2.325 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H]1CSCN1C(=O)CC)C(C)C ZINC000592884761 672851249 /nfs/dbraw/zinc/85/12/49/672851249.db2.gz AVJMTNFXYIWGAV-CVEARBPZSA-N 1 0 353.532 2.113 20 30 FEEDRO CO[C@H](CC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)C(F)(F)F ZINC000593031238 672865649 /nfs/dbraw/zinc/86/56/49/672865649.db2.gz YPEWOJUKUDEXKJ-OAHLLOKOSA-N 1 0 357.376 2.416 20 30 FEEDRO CCc1nsc(N2CCN(C(NCC3(C4CC4)CCC3)=[NH+]C)CC2)n1 ZINC000261775842 672903173 /nfs/dbraw/zinc/90/31/73/672903173.db2.gz OOFXBOFBSRWIEZ-UHFFFAOYSA-N 1 0 362.547 2.378 20 30 FEEDRO CC[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N1CCSC2(CCCCC2)C1 ZINC000261915445 672904885 /nfs/dbraw/zinc/90/48/85/672904885.db2.gz JTYCKWYVTVSISP-HNNXBMFYSA-N 1 0 373.588 2.138 20 30 FEEDRO C[NH+]=C(NCc1scnc1C)N[C@H]1CCN(c2ccccc2OC)C1 ZINC000261934196 672905428 /nfs/dbraw/zinc/90/54/28/672905428.db2.gz CBSMQCDGGPFGFD-AWEZNQCLSA-N 1 0 359.499 2.404 20 30 FEEDRO C[NH+]=C(NCc1ccc2c(c1)OCO2)N1CCN(c2cccs2)CC1 ZINC000262022563 672908052 /nfs/dbraw/zinc/90/80/52/672908052.db2.gz ZCHCCNKANAUOOP-UHFFFAOYSA-N 1 0 358.467 2.374 20 30 FEEDRO C[NH+]=C(NCc1cc(Br)c2c(c1)OCCO2)N1CCCC1 ZINC000262111892 672909176 /nfs/dbraw/zinc/90/91/76/672909176.db2.gz KOXAMJPHPIKIIE-UHFFFAOYSA-N 1 0 354.248 2.392 20 30 FEEDRO CSc1cc(C)ccc1CNC(=[NH2+])N1CCN(c2ncccn2)CC1 ZINC000262356311 672913928 /nfs/dbraw/zinc/91/39/28/672913928.db2.gz FZPLVXINXBWARX-UHFFFAOYSA-N 1 0 356.499 2.144 20 30 FEEDRO CCOC(=O)C1CCC(NC(N[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)=[NH+]C)CC1 ZINC000262427029 672915501 /nfs/dbraw/zinc/91/55/01/672915501.db2.gz RSAGDLHBPBBTKS-NEADZQPHSA-N 1 0 351.491 2.087 20 30 FEEDRO CC[NH+]=C(N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C)N(C)CC(=O)NC(C)(C)C ZINC000262468957 672916494 /nfs/dbraw/zinc/91/64/94/672916494.db2.gz YSLTXAIGBLPPQB-NUEKZKHPSA-N 1 0 352.523 2.002 20 30 FEEDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)Cc1ccc(Br)cc1C#N ZINC000593392875 672917462 /nfs/dbraw/zinc/91/74/62/672917462.db2.gz VVDRYXFFKAUVMY-OAHLLOKOSA-N 1 0 350.260 2.464 20 30 FEEDRO CC[NH+]=C(NCCc1ccco1)N1CCS(=O)(=O)C2(CCCCC2)C1 ZINC000262638756 672918256 /nfs/dbraw/zinc/91/82/56/672918256.db2.gz GVMDKSKVZRZUII-UHFFFAOYSA-N 1 0 367.515 2.221 20 30 FEEDRO C[NH+]=C(NCCc1ccc(I)s1)NCC1CC1 ZINC000262767007 672920424 /nfs/dbraw/zinc/92/04/24/672920424.db2.gz LDBDEWQWLJFVIP-UHFFFAOYSA-N 1 0 363.268 2.470 20 30 FEEDRO CC[NH+]=C(NCCNC(=O)C(C)(C)C)N1CCC[C@]2(CCCOC2)C1 ZINC000262813835 672921311 /nfs/dbraw/zinc/92/13/11/672921311.db2.gz VYMAVXVHPLWOHF-IBGZPJMESA-N 1 0 352.523 2.007 20 30 FEEDRO CN(CC[NH+]1CCCC1)C(=O)Cc1ccc(Br)cc1C#N ZINC000593451791 672925291 /nfs/dbraw/zinc/92/52/91/672925291.db2.gz PMEURBBCYHRQTM-UHFFFAOYSA-N 1 0 350.260 2.417 20 30 FEEDRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)Cc1ccc(Br)cc1C#N ZINC000593577668 672949547 /nfs/dbraw/zinc/94/95/47/672949547.db2.gz GEOWQLJMNNCKQL-VXGBXAGGSA-N 1 0 350.260 2.414 20 30 FEEDRO C=CC[C@H]1CC[C@@H]([NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000593591485 672952963 /nfs/dbraw/zinc/95/29/63/672952963.db2.gz JTRUOARAVZPGKB-UONOGXRCSA-N 1 0 353.444 2.208 20 30 FEEDRO CCCCCCNC(=[NH2+])NCc1ccccc1CS(=O)(=O)NC(C)C ZINC000303784727 673017519 /nfs/dbraw/zinc/01/75/19/673017519.db2.gz PRMDINDECQSTOR-UHFFFAOYSA-N 1 0 368.547 2.499 20 30 FEEDRO CCc1cccc(NC(=[NH2+])NCc2ccc(S(=O)(=O)N(C)C)cc2)c1 ZINC000303898453 673018557 /nfs/dbraw/zinc/01/85/57/673018557.db2.gz VNNXPLYYLQYSBK-UHFFFAOYSA-N 1 0 360.483 2.426 20 30 FEEDRO C[C@@H]1CCCN(C(=[NH2+])NC[C@H](O)COc2ccc(C(F)(F)F)cc2)C1 ZINC000303903627 673018922 /nfs/dbraw/zinc/01/89/22/673018922.db2.gz YMGUSJDVPJPUHG-OCCSQVGLSA-N 1 0 359.392 2.492 20 30 FEEDRO CCc1ccc(NC(=[NH2+])NCCS(=O)(=O)NCc2ccccc2)cc1 ZINC000303901281 673018976 /nfs/dbraw/zinc/01/89/76/673018976.db2.gz SPLZKHCKRNNCPX-UHFFFAOYSA-N 1 0 360.483 2.095 20 30 FEEDRO CCN(CC)S(=O)(=O)c1ccc(CCNC(=[NH2+])NCC2CCC2)s1 ZINC000303980267 673019679 /nfs/dbraw/zinc/01/96/79/673019679.db2.gz NZXXCKWSAVMSIC-UHFFFAOYSA-N 1 0 372.560 2.026 20 30 FEEDRO C[C@@H](NC(=O)C1CCCC1)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000328822241 673067084 /nfs/dbraw/zinc/06/70/84/673067084.db2.gz RLBLMFYKTCXKOH-OAHLLOKOSA-N 1 0 351.491 2.092 20 30 FEEDRO COCCNC(=O)c1ccc(NC(=O)[C@H]([NH3+])CCCCC#N)cc1Cl ZINC000594429295 673071010 /nfs/dbraw/zinc/07/10/10/673071010.db2.gz SGJDYFFQZQRXDR-OAHLLOKOSA-N 1 0 366.849 2.066 20 30 FEEDRO N#CCCCC[C@@H]([NH3+])C(=O)N[C@H]1CCCN(c2ccccc2Cl)C1=O ZINC000594433187 673071361 /nfs/dbraw/zinc/07/13/61/673071361.db2.gz MCXRBNOKGVCTKV-CABCVRRESA-N 1 0 362.861 2.363 20 30 FEEDRO Cc1ccc(C(=O)NC2CCN(C(=O)[C@@H]([NH3+])CCCCC#N)CC2)s1 ZINC000594440350 673071624 /nfs/dbraw/zinc/07/16/24/673071624.db2.gz YFNYQESVWZZXOH-HNNXBMFYSA-N 1 0 362.499 2.189 20 30 FEEDRO N#CCCCC[C@@H]([NH3+])C(=O)NC[C@H]1CCN(c2ccc(F)c(F)c2)C1 ZINC000594438957 673072010 /nfs/dbraw/zinc/07/20/10/673072010.db2.gz RISLWNCFAPGCLB-CXAGYDPISA-N 1 0 350.413 2.319 20 30 FEEDRO CC(C)C(=O)N1CCC[C@@H]1C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000329118873 673072483 /nfs/dbraw/zinc/07/24/83/673072483.db2.gz VCMWMYHEHJWUDP-MRXNPFEDSA-N 1 0 351.491 2.235 20 30 FEEDRO N#CCCCC[C@H]([NH3+])C(=O)N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000594444834 673073089 /nfs/dbraw/zinc/07/30/89/673073089.db2.gz DFSLKYATJVXXLC-GJZGRUSLSA-N 1 0 366.824 2.112 20 30 FEEDRO N#CCCCC[C@H]([NH3+])C(=O)NCc1cc2c(cc1OC(F)F)OCO2 ZINC000594446484 673073542 /nfs/dbraw/zinc/07/35/42/673073542.db2.gz UKKOOQUCEYIAEO-NSHDSACASA-N 1 0 355.341 2.044 20 30 FEEDRO O=C(NCCOC1CCCCC1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000329667806 673081214 /nfs/dbraw/zinc/08/12/14/673081214.db2.gz LPEVHJAPWMLRTK-UHFFFAOYSA-N 1 0 353.507 2.294 20 30 FEEDRO C=CCC[C@H](C)[NH2+]CC[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O ZINC000721711990 673083171 /nfs/dbraw/zinc/08/31/71/673083171.db2.gz ZVLOBJAFBADDOL-GJZGRUSLSA-N 1 0 360.520 2.355 20 30 FEEDRO CS(=O)(=O)c1ccc(CNC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)s1 ZINC000329840576 673083791 /nfs/dbraw/zinc/08/37/91/673083791.db2.gz JRRKGKWJTCHYEX-ZDUSSCGKSA-N 1 0 371.528 2.126 20 30 FEEDRO C#Cc1cccc(NC(=O)CN(C)C(=S)NCC(C)(C)C[NH+](C)C)c1 ZINC000727077871 673153694 /nfs/dbraw/zinc/15/36/94/673153694.db2.gz NNNANTWUWUTTFO-UHFFFAOYSA-N 1 0 360.527 2.001 20 30 FEEDRO N#CC1(c2ccc(C[NH2+][C@H]3CCO[C@]4(CCS(=O)(=O)C4)C3)cc2)CC1 ZINC000594935465 673179146 /nfs/dbraw/zinc/17/91/46/673179146.db2.gz PPERRUORDWQXMV-PKOBYXMFSA-N 1 0 360.479 2.068 20 30 FEEDRO N#CCc1ccc(CS(=O)(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000595115551 673195944 /nfs/dbraw/zinc/19/59/44/673195944.db2.gz HVHFUBRVQLXEQU-LJQANCHMSA-N 1 0 361.511 2.294 20 30 FEEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)NCC1([NH3+])CCCC1 ZINC000595238056 673212831 /nfs/dbraw/zinc/21/28/31/673212831.db2.gz MARKADFMPLWHNX-CYBMUJFWSA-N 1 0 360.483 2.265 20 30 FEEDRO C=CCNC(=S)C(C(=O)c1cc(C(=O)OC)co1)[n+]1cccc(C)c1 ZINC000729667739 673243525 /nfs/dbraw/zinc/24/35/25/673243525.db2.gz PJOJLIMIJMZIJL-UHFFFAOYSA-O 1 0 359.427 2.377 20 30 FEEDRO N#Cc1ccc(F)c(CS(=O)(=O)NCC2CC[NH+](CC3CC3)CC2)c1 ZINC000595407535 673244821 /nfs/dbraw/zinc/24/48/21/673244821.db2.gz DBQIMCIRULEYRP-UHFFFAOYSA-N 1 0 365.474 2.239 20 30 FEEDRO CS(=O)(=O)N1CC[N@H+](CCc2ccc(C#N)cc2)Cc2ccccc21 ZINC000595413133 673246293 /nfs/dbraw/zinc/24/62/93/673246293.db2.gz YADUYAGQGQKUDK-UHFFFAOYSA-N 1 0 355.463 2.383 20 30 FEEDRO C=CCCSCCNC(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000595579934 673269277 /nfs/dbraw/zinc/26/92/77/673269277.db2.gz DIYDMAKEIOQGLI-SFHVURJKSA-N 1 0 363.527 2.362 20 30 FEEDRO C=CCCSCCNC(=O)N1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC000595726347 673285979 /nfs/dbraw/zinc/28/59/79/673285979.db2.gz VAQUSBIRBNLRDN-UHFFFAOYSA-N 1 0 350.488 2.231 20 30 FEEDRO CC(C)[C@H](C#N)N1CCN(C(=O)C[NH2+][C@H](C)C2CCC(F)CC2)CC1 ZINC000595818792 673327784 /nfs/dbraw/zinc/32/77/84/673327784.db2.gz JNOAIRMTQABGBG-CPFNUKBASA-N 1 0 352.498 2.185 20 30 FEEDRO N#CCCC[C@@H]([NH3+])C(=O)N1CCOc2cc(Br)ccc2C1 ZINC000595948440 673343053 /nfs/dbraw/zinc/34/30/53/673343053.db2.gz KGFNMUVKVCPDFG-CYBMUJFWSA-N 1 0 352.232 2.191 20 30 FEEDRO CCc1nc(C#N)cc(NC[C@H]2CSCC[N@@H+]2Cc2ccccc2)n1 ZINC000596210749 673368336 /nfs/dbraw/zinc/36/83/36/673368336.db2.gz PWJGKZMPVWKMFK-KRWDZBQOSA-N 1 0 353.495 2.940 20 30 FEEDRO C=CCCSCCNC(=O)N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000596716241 673406990 /nfs/dbraw/zinc/40/69/90/673406990.db2.gz HAOJQHNUSKZDHX-KRWDZBQOSA-N 1 0 354.564 2.106 20 30 FEEDRO C=CCCSCCNC(=O)C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000597217249 673457440 /nfs/dbraw/zinc/45/74/40/673457440.db2.gz NMLIAEQBCBRGQG-HNNXBMFYSA-N 1 0 355.548 2.039 20 30 FEEDRO Cn1ncc(Cl)c1C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000597478273 673481228 /nfs/dbraw/zinc/48/12/28/673481228.db2.gz SGNZNTYAGXBPEC-UHFFFAOYSA-N 1 0 357.845 2.362 20 30 FEEDRO C[NH+](C)C[C@]1(O)CCCN(C(=O)c2c(Cl)cc(C#N)cc2Cl)C1 ZINC000597574558 673488663 /nfs/dbraw/zinc/48/86/63/673488663.db2.gz QCORPXMQOMBOPF-MRXNPFEDSA-N 1 0 356.253 2.394 20 30 FEEDRO C[NH+](C)Cc1ccc(C(=O)N2CCN(c3ccsc3C#N)CC2)cn1 ZINC000597939326 673521322 /nfs/dbraw/zinc/52/13/22/673521322.db2.gz PQBPGGBAEQLOAB-UHFFFAOYSA-N 1 0 355.467 2.039 20 30 FEEDRO CC(C)[C@H]1CN(C(=O)COc2cccc(Br)c2C#N)CC[NH2+]1 ZINC000598571260 673585062 /nfs/dbraw/zinc/58/50/62/673585062.db2.gz IPTKVGCKJVAYRB-CQSZACIVSA-N 1 0 366.259 2.156 20 30 FEEDRO CC(C)(C#N)C[C@H](O)C[NH2+]CCNC(=O)c1ccc(Br)cc1 ZINC000598719129 673603213 /nfs/dbraw/zinc/60/32/13/673603213.db2.gz GKKKHMKBQNYRTH-AWEZNQCLSA-N 1 0 368.275 2.069 20 30 FEEDRO COc1cc(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)sn1 ZINC000598741797 673605856 /nfs/dbraw/zinc/60/58/56/673605856.db2.gz OINZVMGTVUOIJW-UHFFFAOYSA-N 1 0 356.451 2.418 20 30 FEEDRO N#CCCC[C@@H]([NH3+])C(=O)N1CCc2ccc(F)c(Br)c2C1 ZINC000598939482 673623721 /nfs/dbraw/zinc/62/37/21/673623721.db2.gz HYOOWNZBBZASQS-CYBMUJFWSA-N 1 0 354.223 2.494 20 30 FEEDRO CCNc1ncc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)s1 ZINC000599087276 673632422 /nfs/dbraw/zinc/63/24/22/673632422.db2.gz HQWVAEVLQXBCHI-UHFFFAOYSA-N 1 0 357.483 2.651 20 30 FEEDRO C=CCc1cc(OCC)cc(C[N@H+](C)C[C@@H]2CCS(=O)(=O)C2)c1O ZINC000740867100 673658033 /nfs/dbraw/zinc/65/80/33/673658033.db2.gz MKIUGFRQSVBCFQ-AWEZNQCLSA-N 1 0 353.484 2.386 20 30 FEEDRO COc1cc(NC(=O)N2C[C@H](SC)[C@@H]([NH+](C)C)C2)c(F)cc1C#N ZINC000599813950 673720058 /nfs/dbraw/zinc/72/00/58/673720058.db2.gz BOQIGJMZEQXKDJ-ZFWWWQNUSA-N 1 0 352.435 2.215 20 30 FEEDRO N#Cc1ccc(CSCC(=O)N2CCC([NH+]3CCOCC3)CC2)cc1 ZINC000600105108 673741085 /nfs/dbraw/zinc/74/10/85/673741085.db2.gz GBNXAMKMHWQCOJ-UHFFFAOYSA-N 1 0 359.495 2.115 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)c2csc(Nc3ccccn3)n2)CC1 ZINC000743489052 673761530 /nfs/dbraw/zinc/76/15/30/673761530.db2.gz CLEMUUAPBMYKIR-UHFFFAOYSA-N 1 0 355.467 2.499 20 30 FEEDRO C[NH+](C)CCOc1ccccc1CNS(=O)(=O)CC1(C#N)CCCC1 ZINC000545358209 673762744 /nfs/dbraw/zinc/76/27/44/673762744.db2.gz XMSONMGPOVOIJU-UHFFFAOYSA-N 1 0 365.499 2.130 20 30 FEEDRO N#CC1(C[C@H](O)C[NH2+]C[C@@H](c2cccc(Cl)c2)N2CCOCC2)CC1 ZINC000600721592 673794270 /nfs/dbraw/zinc/79/42/70/673794270.db2.gz CLHWIKBYLMXCHA-ROUUACIJSA-N 1 0 363.889 2.358 20 30 FEEDRO N#CC1(C[C@@H](O)C[NH2+]Cc2ccc(O)c(Br)c2)CCOCC1 ZINC000600728695 673794575 /nfs/dbraw/zinc/79/45/75/673794575.db2.gz QFHXFLQYISXWBA-CYBMUJFWSA-N 1 0 369.259 2.316 20 30 FEEDRO COc1cc(F)cc(C[C@H](C)[NH2+]C[C@@H](O)CC2(C#N)CCOCC2)c1 ZINC000600734774 673795545 /nfs/dbraw/zinc/79/55/45/673795545.db2.gz GADBZDGAGCYPBE-YOEHRIQHSA-N 1 0 350.434 2.426 20 30 FEEDRO N#CC1(C[C@@H](O)C[NH2+]Cc2cccc3c2OC(F)(F)O3)CCOCC1 ZINC000600742976 673795983 /nfs/dbraw/zinc/79/59/83/673795983.db2.gz GQLPFPSWHRIWRQ-CYBMUJFWSA-N 1 0 354.353 2.169 20 30 FEEDRO CC(C)(C#N)C[C@@H](O)C[NH2+][C@@H]1CCN(c2ccc(Cl)cc2F)C1=O ZINC000600763961 673797249 /nfs/dbraw/zinc/79/72/49/673797249.db2.gz VBRLKWVWDFFPHB-TZMCWYRMSA-N 1 0 353.825 2.475 20 30 FEEDRO CC(C)(C#N)C[C@H](O)C[NH2+][C@H]1CCN(c2ccc(Cl)cc2F)C1=O ZINC000600763399 673797337 /nfs/dbraw/zinc/79/73/37/673797337.db2.gz VBRLKWVWDFFPHB-JSGCOSHPSA-N 1 0 353.825 2.475 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2CCCCC[C@@H]([NH3+])C2)cc1Br ZINC000601345151 673845666 /nfs/dbraw/zinc/84/56/66/673845666.db2.gz MUZKBIRBFNRIJR-GFCCVEGCSA-N 1 0 372.288 2.213 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2CCCCC[C@H]([NH3+])C2)cc1Br ZINC000601345152 673845687 /nfs/dbraw/zinc/84/56/87/673845687.db2.gz MUZKBIRBFNRIJR-LBPRGKRZSA-N 1 0 372.288 2.213 20 30 FEEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)S(=O)(=O)C[C@]1(C)CC1(F)F ZINC000603276235 673921029 /nfs/dbraw/zinc/92/10/29/673921029.db2.gz LDPJQJFIVPLVIG-INIZCTEOSA-N 1 0 371.453 2.297 20 30 FEEDRO C[C@H]1CN(C(=O)c2ccc(C#N)c(Cl)c2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000548633582 673982141 /nfs/dbraw/zinc/98/21/41/673982141.db2.gz WBAKOTVNBLVYOI-KBXCAEBGSA-N 1 0 360.889 2.310 20 30 FEEDRO C#CCOc1ccc(Br)cc1C[NH2+]CCCCS(C)(=O)=O ZINC000818224972 675205297 /nfs/dbraw/zinc/20/52/97/675205297.db2.gz USVTYKCWENXYLL-UHFFFAOYSA-N 1 0 374.300 2.376 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000818615832 675228720 /nfs/dbraw/zinc/22/87/20/675228720.db2.gz WZZRULXKCJMOQN-MRXNPFEDSA-N 1 0 351.491 2.095 20 30 FEEDRO C[C@@H](CNS(=O)(=O)c1ccc(C#N)c(Br)c1)[NH+]1CCCC1 ZINC000566716007 675237130 /nfs/dbraw/zinc/23/71/30/675237130.db2.gz OJIUJIYJVSSTAG-NSHDSACASA-N 1 0 372.288 2.083 20 30 FEEDRO CSc1ccc(OC[C@@H](O)C[NH2+]CCNc2ncccc2C#N)cc1 ZINC000818974464 675248601 /nfs/dbraw/zinc/24/86/01/675248601.db2.gz AMIMASWIPOHFGW-HNNXBMFYSA-N 1 0 358.467 2.117 20 30 FEEDRO Cc1ncc2c(n1)CCC[C@@H]2[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000819083307 675259154 /nfs/dbraw/zinc/25/91/54/675259154.db2.gz ZDXAQCACGIYILX-KRWDZBQOSA-N 1 0 356.451 2.098 20 30 FEEDRO C[NH+]1CCN(C[C@@H](NC(=O)c2cscc2C#N)c2ccccc2)CC1 ZINC000567026984 675261086 /nfs/dbraw/zinc/26/10/86/675261086.db2.gz KMRRWYUMYUXTGD-GOSISDBHSA-N 1 0 354.479 2.338 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]C[C@H](O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000819351110 675284373 /nfs/dbraw/zinc/28/43/73/675284373.db2.gz USHHUSLAOAHDDD-IKGGRYGDSA-N 1 0 354.491 2.318 20 30 FEEDRO C[N@@H+]1CCN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)C(C)(C)C1 ZINC000819452854 675291926 /nfs/dbraw/zinc/29/19/26/675291926.db2.gz VYLZIGYQFDXGFA-CQSZACIVSA-N 1 0 352.479 2.126 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N[C@@H](C[NH3+])C2CCCC2)cc1Br ZINC000567613110 675306795 /nfs/dbraw/zinc/30/67/95/675306795.db2.gz NSJHCBFVPIXENZ-AWEZNQCLSA-N 1 0 372.288 2.117 20 30 FEEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000567643530 675309248 /nfs/dbraw/zinc/30/92/48/675309248.db2.gz BUBIUBNNPYAZRV-GFCCVEGCSA-N 1 0 355.891 2.113 20 30 FEEDRO C#C[C@H](NC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc(Cl)cc1 ZINC000820564519 675370744 /nfs/dbraw/zinc/37/07/44/675370744.db2.gz CIXIXSGHMFILTO-YJBOKZPZSA-N 1 0 361.873 2.378 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H]2c3sccc3OC(C)(C)[C@H]2O)CC1 ZINC000568481659 675377319 /nfs/dbraw/zinc/37/73/19/675377319.db2.gz MWFUOLLKTIDSIM-ZBFHGGJFSA-N 1 0 365.499 2.271 20 30 FEEDRO C#C[C@H](NC(=O)N[C@H]1CCC[N@@H+](CCCO)C1)c1ccc(Cl)cc1F ZINC000820750084 675385005 /nfs/dbraw/zinc/38/50/05/675385005.db2.gz KEDHLQGRHAPUCV-YOEHRIQHSA-N 1 0 367.852 2.299 20 30 FEEDRO C#CCN(CC(=O)NC[C@@H](C)[N@@H+]1CCCC[C@H]1C)C(=O)OC(C)(C)C ZINC000821986752 675462468 /nfs/dbraw/zinc/46/24/68/675462468.db2.gz WXTXGGMJODVLJJ-HZPDHXFCSA-N 1 0 351.491 2.236 20 30 FEEDRO C#CCNC(=O)C1CC[NH+](Cc2ccc(Br)cc2O)CC1 ZINC000824610007 675613196 /nfs/dbraw/zinc/61/31/96/675613196.db2.gz GGTCPHPVKVSQLR-UHFFFAOYSA-N 1 0 351.244 2.116 20 30 FEEDRO C#CCO[C@@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000825838673 675670771 /nfs/dbraw/zinc/67/07/71/675670771.db2.gz FDYIFSJXAQKYCN-XJKSGUPXSA-N 1 0 354.372 2.434 20 30 FEEDRO C#CCN(CC(=O)N(C)[C@H]1CC[N@@H+](CC)C[C@H]1C)C(=O)OC(C)(C)C ZINC000828596491 675832737 /nfs/dbraw/zinc/83/27/37/675832737.db2.gz WQLKABLZVGKJDO-CVEARBPZSA-N 1 0 351.491 2.045 20 30 FEEDRO O=C(C#Cc1cccs1)NCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000828936208 675853284 /nfs/dbraw/zinc/85/32/84/675853284.db2.gz LCIMGWBZDBZNMA-GOSISDBHSA-N 1 0 354.475 2.373 20 30 FEEDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)Cc2ccc(C#N)cc2F)C[C@H]1C ZINC000616419008 676249607 /nfs/dbraw/zinc/24/96/07/676249607.db2.gz HASOOBYQOBUHTL-CJNGLKHVSA-N 1 0 353.463 2.332 20 30 FEEDRO C[C@@H](CCC#N)C[N@@H+]1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000618887177 676355683 /nfs/dbraw/zinc/35/56/83/676355683.db2.gz LFXRBWICFKIBKD-HNNXBMFYSA-N 1 0 353.463 2.462 20 30 FEEDRO C[C@@H](CC#N)N(C)S(=O)(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000619751584 676393325 /nfs/dbraw/zinc/39/33/25/676393325.db2.gz LBNOQOPXVFDZSS-WMZOPIPTSA-N 1 0 364.515 2.282 20 30 FEEDRO C=C(C)[C@H](CO)[N@@H+]1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000677479031 679682214 /nfs/dbraw/zinc/68/22/14/679682214.db2.gz IDZMNRZHMZVZHL-JSGCOSHPSA-N 1 0 368.275 2.432 20 30 FEEDRO C=CCOc1c(Cl)cc(C[NH2+]CC2(C(N)=O)CCOCC2)cc1OC ZINC000623356195 676530640 /nfs/dbraw/zinc/53/06/40/676530640.db2.gz CEALGBOWIDIGII-UHFFFAOYSA-N 1 0 368.861 2.285 20 30 FEEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000627477790 676756116 /nfs/dbraw/zinc/75/61/16/676756116.db2.gz BNLBIDVWFSIILJ-NEPJUHHUSA-N 1 0 355.891 2.173 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639761882 677165359 /nfs/dbraw/zinc/16/53/59/677165359.db2.gz OTQGYVGWDFFESF-QFBILLFUSA-N 1 0 365.543 2.040 20 30 FEEDRO C=CC[C@@H]1CC[C@H]([NH2+]C2CCN(S(=O)(=O)C3CCOCC3)CC2)C1 ZINC000651718015 677446859 /nfs/dbraw/zinc/44/68/59/677446859.db2.gz AFSGEYPNUXSHBD-WBVHZDCISA-N 1 0 356.532 2.294 20 30 FEEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@H](N)CC[NH+](C)C ZINC000653082888 677514669 /nfs/dbraw/zinc/51/46/69/677514669.db2.gz HWVNONKIIAYAKJ-OAHLLOKOSA-N 1 0 372.282 2.382 20 30 FEEDRO C[C@@H](O)C[N@H+](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)C1CC1 ZINC000653899861 677553818 /nfs/dbraw/zinc/55/38/18/677553818.db2.gz JNKGCJOGMQADRS-CYBMUJFWSA-N 1 0 354.372 2.018 20 30 FEEDRO C=CC[NH+]1CCC(N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)CC1 ZINC000761252345 680716829 /nfs/dbraw/zinc/71/68/29/680716829.db2.gz QWJZAVXHPGMUPK-UHFFFAOYSA-N 1 0 363.845 2.460 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1NC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC000656190160 677727355 /nfs/dbraw/zinc/72/73/55/677727355.db2.gz QYIZCQKABSBDCB-CIQAELJKSA-N 1 0 351.491 2.003 20 30 FEEDRO C=CC[C@H](CO)[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000762779879 680761346 /nfs/dbraw/zinc/76/13/46/680761346.db2.gz LUHXTPNPHXBIMF-QBPKDAKJSA-N 1 0 354.491 2.318 20 30 FEEDRO C=CC[C@H](CO)[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000762779906 680761363 /nfs/dbraw/zinc/76/13/63/680761363.db2.gz LUHXTPNPHXBIMF-VQHPVUNQSA-N 1 0 354.491 2.318 20 30 FEEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CCC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000661118021 678437176 /nfs/dbraw/zinc/43/71/76/678437176.db2.gz VQLDUQQGNMOREK-PBHICJAKSA-N 1 0 365.499 2.387 20 30 FEEDRO C#Cc1cccc(NC(=S)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c1 ZINC000763307731 680779419 /nfs/dbraw/zinc/77/94/19/680779419.db2.gz ZPDOKOCCEKFFHP-QFBILLFUSA-N 1 0 356.539 2.323 20 30 FEEDRO C=C[C@H](CO)[NH2+]C[C@@H](NS(=O)(=O)c1ccc(C)cc1)c1ccccc1 ZINC000662168573 678585347 /nfs/dbraw/zinc/58/53/47/678585347.db2.gz LOCJGYQIFSJSKW-IEBWSBKVSA-N 1 0 360.479 2.151 20 30 FEEDRO C#CC[C@]1(C(=O)NCC[NH+](CC)CC)CCCN1C(=O)OC(C)(C)C ZINC000763875142 680794242 /nfs/dbraw/zinc/79/42/42/680794242.db2.gz MZQCIRBVMHQAHE-LJQANCHMSA-N 1 0 351.491 2.237 20 30 FEEDRO C=C(C)C[C@H](NC(C)=O)C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000668626310 679189552 /nfs/dbraw/zinc/18/95/52/679189552.db2.gz BHYOKLBWOPLFMQ-KRWDZBQOSA-N 1 0 367.559 2.325 20 30 FEEDRO C#CCOc1ccc(Br)cc1C[NH2+][C@H]1CCC[C@H]1C(=O)NC ZINC000765794103 680855414 /nfs/dbraw/zinc/85/54/14/680855414.db2.gz AILGZXIRLXFXMB-CABCVRRESA-N 1 0 365.271 2.465 20 30 FEEDRO C#CCCCS(=O)(=O)N(c1ccccc1OC)C1CC[NH+](C)CC1 ZINC000840947308 680855961 /nfs/dbraw/zinc/85/59/61/680855961.db2.gz VDIDFPXTGMPOFZ-UHFFFAOYSA-N 1 0 350.484 2.339 20 30 FEEDRO CC(C)(c1nnc(NC(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)s1)c1ccccc1 ZINC000841109471 680863903 /nfs/dbraw/zinc/86/39/03/680863903.db2.gz IJRAMKPQXJMWLQ-DGCLKSJQSA-N 1 0 356.455 2.097 20 30 FEEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)Nc1cc(Cl)ccc1OC[C@H]1CCCO1 ZINC000841082556 680862540 /nfs/dbraw/zinc/86/25/40/680862540.db2.gz ZOGKXPFIMWVLFE-KYOSRNDESA-N 1 0 364.833 2.131 20 30 FEEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)Nc1ccc(Oc2ccc(Cl)nn2)cc1 ZINC000841115711 680864150 /nfs/dbraw/zinc/86/41/50/680864150.db2.gz IGCUNVOIYZEYRU-MFKMUULPSA-N 1 0 358.789 2.155 20 30 FEEDRO Cc1oc(-n2cccc2)c(C#N)c1C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000748434347 679963293 /nfs/dbraw/zinc/96/32/93/679963293.db2.gz KITNZORLUJPCQF-SFHVURJKSA-N 1 0 358.467 2.418 20 30 FEEDRO C=C(Br)CN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001017572044 680077717 /nfs/dbraw/zinc/07/77/17/680077717.db2.gz RZRCQSCEKNUTHF-XUWVNRHRSA-N 1 0 370.335 2.301 20 30 FEEDRO C=CCNC(=O)C[N@H+]1CCC[C@H]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000832250035 680115967 /nfs/dbraw/zinc/11/59/67/680115967.db2.gz DKJWCKHBIVSDKN-JKSUJKDBSA-N 1 0 351.491 2.258 20 30 FEEDRO N#Cc1ccsc1NC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C1CCCCCC1 ZINC000874154831 685308819 /nfs/dbraw/zinc/30/88/19/685308819.db2.gz NDESWIHWMBLWSU-HNNXBMFYSA-N 1 0 360.483 2.472 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3c(C)nsc3C)C[C@H]21 ZINC000978719140 680179555 /nfs/dbraw/zinc/17/95/55/680179555.db2.gz OTLPQMQPAPBATQ-XQZMSQOBSA-N 1 0 361.511 2.145 20 30 FEEDRO C=C(Cl)C(C)(C)C(=O)N1C[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C)[C@H](C)C1 ZINC000993835927 680191730 /nfs/dbraw/zinc/19/17/30/680191730.db2.gz FFUBAJAWSWNVPT-BPLDGKMQSA-N 1 0 355.910 2.070 20 30 FEEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)CCc1cc(Cl)ccc1Br ZINC000834479914 680232903 /nfs/dbraw/zinc/23/29/03/680232903.db2.gz JKQQGGFIHHYQLG-GWCFXTLKSA-N 1 0 356.651 2.263 20 30 FEEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)c1ccc(Br)cc1C(F)(F)F ZINC000834484785 680233230 /nfs/dbraw/zinc/23/32/30/680233230.db2.gz MYJHZHKOOCDIJD-WRWORJQWSA-N 1 0 362.149 2.309 20 30 FEEDRO CC(C)Oc1ccc(-c2nc(C(=O)N[C@H]3C[NH2+]C[C@@H]3C#N)cs2)cc1 ZINC000834493118 680234526 /nfs/dbraw/zinc/23/45/26/680234526.db2.gz ARDLLBQQIPFEQZ-ZFWWWQNUSA-N 1 0 356.451 2.439 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[N@@H+](C[C@H](O)C2CCCCC2)CC1 ZINC000981994922 680261246 /nfs/dbraw/zinc/26/12/46/680261246.db2.gz WCLXDSRIHIJOGJ-QYZOEREBSA-N 1 0 350.503 2.053 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)N[C@](C)(CO)c1ccc(Br)cc1 ZINC000912174745 685325310 /nfs/dbraw/zinc/32/53/10/685325310.db2.gz PVRMKLAJGNQFKG-MRXNPFEDSA-N 1 0 355.276 2.281 20 30 FEEDRO C=C(Cl)C(C)(C)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCCC1)C2 ZINC000996563479 680335180 /nfs/dbraw/zinc/33/51/80/680335180.db2.gz NTZMOYHNQCNWSK-ILXRZTDVSA-N 1 0 353.894 2.109 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([NH2+][C@@H](C)c2csnn2)CC1 ZINC000996600304 680336579 /nfs/dbraw/zinc/33/65/79/680336579.db2.gz HQKWNQMHHHZAAZ-BJJXKVORSA-N 1 0 350.488 2.161 20 30 FEEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+][C@@H](CCO)c2cccs2)c1 ZINC000754386723 680353658 /nfs/dbraw/zinc/35/36/58/680353658.db2.gz LHPDLLBVUGOSJA-HNNXBMFYSA-N 1 0 350.465 2.107 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2cc(F)ccc2F)C1 ZINC001027075553 680354810 /nfs/dbraw/zinc/35/48/10/680354810.db2.gz VKGRCJGPBMITTK-XCRHUMRWSA-N 1 0 350.409 2.494 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2nnc(C(C)C)s2)C1 ZINC001027076883 680354903 /nfs/dbraw/zinc/35/49/03/680354903.db2.gz VTTJLZCQUDBBLP-ZNMIVQPWSA-N 1 0 364.515 2.191 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CCC1CCOCC1 ZINC001028195803 680372473 /nfs/dbraw/zinc/37/24/73/680372473.db2.gz WMQMSSJGKNINDB-FHWLQOOXSA-N 1 0 350.503 2.365 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CCc2csc(C)n2)C1 ZINC001028549047 680374040 /nfs/dbraw/zinc/37/40/40/680374040.db2.gz KZOSKSNBIBDVJQ-JQHSSLGASA-N 1 0 363.527 2.413 20 30 FEEDRO C=C(Cl)C(C)(C)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[N@H+]1C)C2 ZINC000998069340 680374328 /nfs/dbraw/zinc/37/43/28/680374328.db2.gz BDGBCUJHAMKEJD-FXUDXRNXSA-N 1 0 367.921 2.498 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CC[N@H+](CCC2CCOCC2)C1 ZINC001028548796 680374523 /nfs/dbraw/zinc/37/45/23/680374523.db2.gz HIVSTASWJKKIDC-QRVBRYPASA-N 1 0 350.503 2.222 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2csnc2OC)C1 ZINC000999540538 680405677 /nfs/dbraw/zinc/40/56/77/680405677.db2.gz XHWUTQGSMZNIJX-CKUJCDMFSA-N 1 0 365.499 2.212 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC1C[NH+](CC2CC(OCC)C2)C1 ZINC001032040442 680411782 /nfs/dbraw/zinc/41/17/82/680411782.db2.gz CXXIUJGODPHSES-FYOYPEGLSA-N 1 0 350.503 2.221 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](CCC2CCOCC2)C1 ZINC001033086978 680416636 /nfs/dbraw/zinc/41/66/36/680416636.db2.gz NOHVIFWOLCMUAQ-OTWHNJEPSA-N 1 0 350.503 2.317 20 30 FEEDRO CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CCN(Cc3ccc(C#N)s3)C2)CC[N@@H+]1C ZINC001033095754 680417647 /nfs/dbraw/zinc/41/76/47/680417647.db2.gz DSRMMEBCMQREER-FHLIZLRMSA-N 1 0 360.527 2.383 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC2CCOCC2)CC1 ZINC001034648419 680437159 /nfs/dbraw/zinc/43/71/59/680437159.db2.gz GZXIGUWRMQFBEG-MKXGPGLRSA-N 1 0 350.503 2.411 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC2(CC[N@@H+](C[C@@H](C)O)C2)CC1 ZINC001035237100 680444774 /nfs/dbraw/zinc/44/47/74/680444774.db2.gz PWDZDYWTSNOYGH-SQNIBIBYSA-N 1 0 350.503 2.053 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC2(C[NH+](C[C@H](CC)OC)C2)CC1 ZINC001035707444 680451226 /nfs/dbraw/zinc/45/12/26/680451226.db2.gz JOYAVQJUXJIUEY-KSZLIROESA-N 1 0 350.503 2.317 20 30 FEEDRO C[C@@H]1[C@H](C(=O)NC[C@@H]2CCN2CC#Cc2ccc(Cl)cc2)CC[N@@H+]1C ZINC001038266128 680454787 /nfs/dbraw/zinc/45/47/87/680454787.db2.gz PJOVNVWCBRTNPR-AYOQOUSVSA-N 1 0 359.901 2.222 20 30 FEEDRO C=C(Cl)C[N@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)CC2)C1 ZINC001039135167 680462011 /nfs/dbraw/zinc/46/20/11/680462011.db2.gz DWEDQNVYRRLPNT-KBAYOESNSA-N 1 0 369.937 2.019 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)NCCNc1ncc(Cl)cc1Cl ZINC000836489067 680476236 /nfs/dbraw/zinc/47/62/36/680476236.db2.gz UNPSMZMVVUKDJD-UHFFFAOYSA-N 1 0 358.273 2.055 20 30 FEEDRO C#CC[N@H+]1CCC[C@H]1COC(=O)COc1cccc(Br)c1 ZINC000756540785 680483954 /nfs/dbraw/zinc/48/39/54/680483954.db2.gz CYMRMAVRXCUNNU-AWEZNQCLSA-N 1 0 352.228 2.469 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC2(C1)CC[NH+](C[C@@H](C)OC)CC2 ZINC001040882012 680492840 /nfs/dbraw/zinc/49/28/40/680492840.db2.gz WMTDUEHTUPEUMI-SQNIBIBYSA-N 1 0 350.503 2.317 20 30 FEEDRO C=C(Cl)C(C)(C)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCCC1)C2 ZINC001002827872 680509887 /nfs/dbraw/zinc/50/98/87/680509887.db2.gz NTZMOYHNQCNWSK-KFWWJZLASA-N 1 0 353.894 2.109 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1CC[NH+](CC2CCOCC2)CC1 ZINC001003766538 680541678 /nfs/dbraw/zinc/54/16/78/680541678.db2.gz MYAGRVRKXZJXTP-OALUTQOASA-N 1 0 350.503 2.365 20 30 FEEDRO CC(=NNC(=S)NCCC[NH+](C)C)c1c(Cl)cccc1[N+](=O)[O-] ZINC000758124631 680556637 /nfs/dbraw/zinc/55/66/37/680556637.db2.gz UADMTDLXRJZQHT-UHFFFAOYSA-N 1 0 357.867 2.388 20 30 FEEDRO CC(C)[C@H](C(=O)N1C[C@@H](C)[C@H](Nc2ncc(C#N)cc2Cl)C1)[NH+](C)C ZINC001043270910 680570947 /nfs/dbraw/zinc/57/09/47/680570947.db2.gz RYEYIMCELAVHGM-DAXOMENPSA-N 1 0 363.893 2.452 20 30 FEEDRO C#CC[N@@H+](C)CCCNC(=O)NC[C@@H](c1ccccc1Cl)N(C)C ZINC000837360060 680592044 /nfs/dbraw/zinc/59/20/44/680592044.db2.gz JUKKDKUOAYJUKI-KRWDZBQOSA-N 1 0 350.894 2.197 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1csnc1OC ZINC001045043925 680620286 /nfs/dbraw/zinc/62/02/86/680620286.db2.gz SFYROYQJLPHULN-XHSDSOJGSA-N 1 0 365.499 2.214 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCCC[C@@]2(CC[N@H+](CCCO)C2)C1 ZINC001045973363 680642515 /nfs/dbraw/zinc/64/25/15/680642515.db2.gz PDJWGHGHROHJIC-BJLQDIEVSA-N 1 0 350.503 2.055 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1C[N@H+](CCCC2CCCC2)C[C@@H]1O ZINC001047533285 680665397 /nfs/dbraw/zinc/66/53/97/680665397.db2.gz GQRYXVTWNRZGBL-XWSJACJDSA-N 1 0 350.503 2.051 20 30 FEEDRO CS[C@@H]1CN(C(=O)Nc2ccc(F)cc2OCC#N)C[C@@H]1[NH+](C)C ZINC000759992660 680674115 /nfs/dbraw/zinc/67/41/15/680674115.db2.gz IVLITRLFQYSHKH-DZGCQCFKSA-N 1 0 352.435 2.237 20 30 FEEDRO CCOC(=O)c1c(CC)c(C)sc1NC(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000841157463 680866431 /nfs/dbraw/zinc/86/64/31/680866431.db2.gz WAMYHUMRVYGRJK-CMPLNLGQSA-N 1 0 350.444 2.029 20 30 FEEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)Nc1nnc(-c2c(F)cccc2Cl)s1 ZINC000841195677 680868628 /nfs/dbraw/zinc/86/86/28/680868628.db2.gz HRVWXTZPRIGPQI-XVKPBYJWSA-N 1 0 366.809 2.231 20 30 FEEDRO CCc1c(NC(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)cnn1-c1ccccc1Cl ZINC000841214694 680869358 /nfs/dbraw/zinc/86/93/58/680869358.db2.gz QQHPSTHQJIXJAL-WCQYABFASA-N 1 0 358.833 2.321 20 30 FEEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)N[C@@H](c1ccc(F)c(Cl)c1)C(F)(F)F ZINC000841218163 680869510 /nfs/dbraw/zinc/86/95/10/680869510.db2.gz POVBORUYNWKWPB-ZHAHWJHGSA-N 1 0 364.730 2.493 20 30 FEEDRO C#CCSCCNC(=O)Nc1ccc(OCC[NH+](C)C)c(OC)c1 ZINC000841819757 680913855 /nfs/dbraw/zinc/91/38/55/680913855.db2.gz FJLXASKHUNDEFR-UHFFFAOYSA-N 1 0 351.472 2.124 20 30 FEEDRO C#C[C@H](NC(=O)NC[C@@H]1CCC[NH2+]C1)c1ccc(Br)cc1 ZINC000841924132 680917471 /nfs/dbraw/zinc/91/74/71/680917471.db2.gz UPNYTJNWCDJQSV-DOMZBBRYSA-N 1 0 350.260 2.422 20 30 FEEDRO C=C(Br)CN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001049481242 681032580 /nfs/dbraw/zinc/03/25/80/681032580.db2.gz HVZDNAOJMITBMJ-KLHDSHLOSA-N 1 0 370.335 2.301 20 30 FEEDRO C[C@@H]1[C@@H](NC(=O)C[N@H+]2CCC[C@@H]2C)CCN1c1snc(Cl)c1C#N ZINC001051027095 681060836 /nfs/dbraw/zinc/06/08/36/681060836.db2.gz KLWRJXDCJCNDSY-LOWVWBTDSA-N 1 0 367.906 2.236 20 30 FEEDRO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)CC1 ZINC001052492915 681079674 /nfs/dbraw/zinc/07/96/74/681079674.db2.gz INHNCIYHWJXTCI-XQQFMLRXSA-N 1 0 370.799 2.056 20 30 FEEDRO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2OCC[C@@H]2Cn2cccn2)CC1 ZINC001052785966 681086024 /nfs/dbraw/zinc/08/60/24/681086024.db2.gz MYKVXMRDQKIDRH-IXDOHACOSA-N 1 0 366.893 2.011 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)OCC(=O)Nc2cc(Cl)ccc2F)CC1 ZINC000772110022 681086222 /nfs/dbraw/zinc/08/62/22/681086222.db2.gz NLLYMDRUJLJKMN-UHFFFAOYSA-N 1 0 352.793 2.306 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1COC2(C[NH+](CCC(C)C)C2)C1 ZINC001053952117 681105696 /nfs/dbraw/zinc/10/56/96/681105696.db2.gz LVAGTMNCTMMIQE-SQNIBIBYSA-N 1 0 350.503 2.363 20 30 FEEDRO C=CCNS(=O)(=O)c1ccc(C(=O)OC[C@@H]2CC[N@H+]2C(C)(C)C)cc1 ZINC000845738754 681149689 /nfs/dbraw/zinc/14/96/89/681149689.db2.gz CDJQTSJQTZFQPI-HNNXBMFYSA-N 1 0 366.483 2.181 20 30 FEEDRO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](Nc3snc(Cl)c3C#N)C2)CC[N@@H+]1C ZINC001059443677 681180448 /nfs/dbraw/zinc/18/04/48/681180448.db2.gz JNVPQJNJJAMEHI-GWOFURMSSA-N 1 0 353.879 2.067 20 30 FEEDRO C=CCN1CC[C@H]([N@H+]2CC[C@@H](CNC(=O)OC(C)(C)C)[C@@H](C)C2)C1=O ZINC000932709668 681294268 /nfs/dbraw/zinc/29/42/68/681294268.db2.gz XIGYMMBREBGZCV-JYJNAYRXSA-N 1 0 351.491 2.256 20 30 FEEDRO C[C@H](C#N)OCC[NH+]1CCC(OC2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000932791292 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353.463 2.017 20 30 FEEDRO C=CC1(CC(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)CN(C(=O)OC(C)(C)C)C1 ZINC000933492780 681420597 /nfs/dbraw/zinc/42/05/97/681420597.db2.gz VLOIVMJWJNQXTB-LSDHHAIUSA-N 1 0 351.491 2.399 20 30 FEEDRO CN1CCC(CNC(=O)C2(C#N)CCSCC2)([NH+]2CCCCC2)CC1 ZINC000933629577 681442536 /nfs/dbraw/zinc/44/25/36/681442536.db2.gz SPNOWUPSRJEOPJ-UHFFFAOYSA-N 1 0 364.559 2.090 20 30 FEEDRO Cc1ccc(S(=O)(=O)CCCN2CCC3(CC2)CC(=O)C=CO3)cc1 ZINC000933647913 681445775 /nfs/dbraw/zinc/44/57/75/681445775.db2.gz KIHHCKXFLKHLOM-UHFFFAOYSA-N 1 0 363.479 2.497 20 30 FEEDRO C#CCn1ccc(CN(CC)C(=O)C2CC[NH+]([C@H]3CCSC3)CC2)n1 ZINC000847989246 681459355 /nfs/dbraw/zinc/45/93/55/681459355.db2.gz XMOLBTZXPOBZNQ-SFHVURJKSA-N 1 0 360.527 2.082 20 30 FEEDRO C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@@H](C)C1(C(=O)OCC)CCOCC1 ZINC000933882643 681478797 /nfs/dbraw/zinc/47/87/97/681478797.db2.gz AUOGTYGMBUABJJ-HOTGVXAUSA-N 1 0 354.491 2.138 20 30 FEEDRO CO[C@@H]1CCOC[C@H]1[NH2+]CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1 ZINC000934045995 681501105 /nfs/dbraw/zinc/50/11/05/681501105.db2.gz UTVJFUVXXXDVJM-IAGOWNOFSA-N 1 0 365.861 2.289 20 30 FEEDRO CN(C)[S@@](C)(=O)=NCC1CC[NH+](Cc2ccc(OCC#N)cc2)CC1 ZINC000934758131 681624449 /nfs/dbraw/zinc/62/44/49/681624449.db2.gz CCULDUQBUODXNT-VWLOTQADSA-N 1 0 364.515 2.375 20 30 FEEDRO C#CC[N@H+]1CCC[C@@H]1COC(=O)C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000778633501 681632647 /nfs/dbraw/zinc/63/26/47/681632647.db2.gz FENTXBRMQHYHRI-HZPDHXFCSA-N 1 0 350.459 2.274 20 30 FEEDRO C=C(Cl)C(C)(C)C(=O)N1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC000949362098 681634832 /nfs/dbraw/zinc/63/48/32/681634832.db2.gz XFVHVJSJSUKIDJ-UHOFOFEASA-N 1 0 367.921 2.070 20 30 FEEDRO COc1ccc(C[C@@H](CO)C[NH+]=C(N(C)C)N(C)C)cc1Br ZINC000849115553 681657670 /nfs/dbraw/zinc/65/76/70/681657670.db2.gz YLSIVPDBJUPHDB-CYBMUJFWSA-N 1 0 372.307 2.088 20 30 FEEDRO C[NH+](C)[C@@H]1CCN(c2ccc(NC(=O)C3(C#N)CCSCC3)nc2)C1 ZINC000935008829 681672230 /nfs/dbraw/zinc/67/22/30/681672230.db2.gz 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/nfs/dbraw/zinc/22/59/94/682225994.db2.gz FQANFFSXRAPNJP-JKSUJKDBSA-N 1 0 351.372 2.443 20 30 FEEDRO C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2OCCO[C@@H]2c2ccccc2)C1 ZINC000968971331 682252229 /nfs/dbraw/zinc/25/22/29/682252229.db2.gz YROHZKPOGZWFBF-BRWVUGGUSA-N 1 0 350.846 2.086 20 30 FEEDRO N#Cc1ccc(C[NH2+][C@@H]2CCN(C(=O)[C@@H]3C[C@H]3C3CCOCC3)C2)s1 ZINC000969312186 682262669 /nfs/dbraw/zinc/26/26/69/682262669.db2.gz SEZOKZHAJUIJCK-FHLIZLRMSA-N 1 0 359.495 2.373 20 30 FEEDRO N#Cc1cc(CS(=O)(=O)NC[C@@H]2CC[N@@H+]2C2CCCCC2)cs1 ZINC000917980529 685536132 /nfs/dbraw/zinc/53/61/32/685536132.db2.gz SCAHDHHUQFOPTJ-HNNXBMFYSA-N 1 0 353.513 2.446 20 30 FEEDRO CCOc1cc(CNC(=O)C#CC2CC[NH2+]CC2)ccc1OC(F)F ZINC000852811071 682345963 /nfs/dbraw/zinc/34/59/63/682345963.db2.gz KIAMXKVSNIRJLV-UHFFFAOYSA-N 1 0 352.381 2.306 20 30 FEEDRO CCCCS(=O)(=O)Nc1ccc(NC(=O)C#CC2CC[NH2+]CC2)cc1 ZINC000852845238 682350074 /nfs/dbraw/zinc/35/00/74/682350074.db2.gz DSIMAZBKGKRGCT-UHFFFAOYSA-N 1 0 363.483 2.170 20 30 FEEDRO COC[C@H](C)N=c1scc(C)n1N=Cc1ccnn1-c1cc[nH+]cc1 ZINC000853081458 682373496 /nfs/dbraw/zinc/37/34/96/682373496.db2.gz QQXUPKZEQBHSRM-ZDUSSCGKSA-N 1 0 356.455 2.257 20 30 FEEDRO C[N@H+](Cc1ccc(C#N)s1)[C@@H]1CCN(C(=O)[C@@H]2CCO[C@H]2C2CC2)C1 ZINC000971980934 682385171 /nfs/dbraw/zinc/38/51/71/682385171.db2.gz DMGNUCXMGCCSAN-OLMNPRSZSA-N 1 0 359.495 2.468 20 30 FEEDRO C[NH+](C)CCCNC(=S)NN=Cc1c(O)cccc1OC(F)(F)F ZINC000853306180 682404114 /nfs/dbraw/zinc/40/41/14/682404114.db2.gz RUKSIHIFBIUVFH-UHFFFAOYSA-N 1 0 364.393 2.041 20 30 FEEDRO C=C(Cl)C(C)(C)C(=O)N1C[C@H]2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)C[C@H]21 ZINC000972339410 682407344 /nfs/dbraw/zinc/40/73/44/682407344.db2.gz FBYUJVLESWWMPF-NUEKZKHPSA-N 1 0 367.921 2.166 20 30 FEEDRO N#Cc1ncc(Br)cc1N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000853688592 682456347 /nfs/dbraw/zinc/45/63/47/682456347.db2.gz QVHHIJSJBFREIR-UHFFFAOYSA-N 1 0 365.275 2.407 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)NCCC2N=NC(=S)N2C(C)C)CC1 ZINC000853690256 682456842 /nfs/dbraw/zinc/45/68/42/682456842.db2.gz LUEZHJMBIHOKSU-UHFFFAOYSA-N 1 0 366.535 2.030 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)c2cnc(Br)c(OC)c2)CC1 ZINC000788510342 682534664 /nfs/dbraw/zinc/53/46/64/682534664.db2.gz BUMOEWUOIGYPIN-UHFFFAOYSA-N 1 0 366.259 2.070 20 30 FEEDRO C#CC[C@@]1(C(=O)NCC[C@H](C)[NH+](C)C)CCCN1C(=O)OC(C)(C)C ZINC000855415448 682667632 /nfs/dbraw/zinc/66/76/32/682667632.db2.gz ICRSTQDQAJMBTB-KXBFYZLASA-N 1 0 351.491 2.236 20 30 FEEDRO CC[NH+](CC)CC#C[C@H](C)OC(=O)c1cc(Br)c[nH]c1=O ZINC000857013081 682843727 /nfs/dbraw/zinc/84/37/27/682843727.db2.gz DWNDFMACJWPRPO-NSHDSACASA-N 1 0 355.232 2.440 20 30 FEEDRO CC[NH+](CC)CC#C[C@H](C)OC(=O)c1ccc(F)c(S(C)(=O)=O)c1 ZINC000793178499 682869590 /nfs/dbraw/zinc/86/95/90/682869590.db2.gz FQZWQYOGQLJVFG-ZDUSSCGKSA-N 1 0 355.431 2.120 20 30 FEEDRO C=C(C)CNC(=S)N1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000795132609 683021432 /nfs/dbraw/zinc/02/14/32/683021432.db2.gz WKDFHUVABLPUGD-IBGZPJMESA-N 1 0 358.555 2.329 20 30 FEEDRO C#CCCN1CCN(C(=O)[C@@H]2CCCN2Cc2ccc(Cl)cc2)CC1 ZINC000859004002 683024680 /nfs/dbraw/zinc/02/46/80/683024680.db2.gz ZQBZECLOZCYDCP-IBGZPJMESA-N 1 0 359.901 2.472 20 30 FEEDRO C#CCN(C(=O)NC[C@@H]1CCC[C@@H](C(F)(F)F)O1)C1CC[NH+](C)CC1 ZINC000926402608 683120828 /nfs/dbraw/zinc/12/08/28/683120828.db2.gz JSNRGBYQLZCPOX-GJZGRUSLSA-N 1 0 361.408 2.225 20 30 FEEDRO C#CC[N@H+]1CCC[C@H]1COC(=O)[C@H]1N(C(=O)OC(C)(C)C)CC1(C)C ZINC000796690689 683186163 /nfs/dbraw/zinc/18/61/63/683186163.db2.gz VKXCGKPGAJKWMS-LSDHHAIUSA-N 1 0 350.459 2.273 20 30 FEEDRO C[NH+]1CCC2(CCCN(S(=O)(=O)c3ccc(C#N)cc3F)C2)CC1 ZINC000798466750 683353568 /nfs/dbraw/zinc/35/35/68/683353568.db2.gz SMHHKAOEIBOSCF-UHFFFAOYSA-N 1 0 351.447 2.194 20 30 FEEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1C[C@@H]([NH3+])C(C)(C)C1 ZINC000927854283 683326848 /nfs/dbraw/zinc/32/68/48/683326848.db2.gz LTQMXSVXWKJRBB-SWLSCSKDSA-N 1 0 360.483 2.215 20 30 FEEDRO C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000920419352 683339732 /nfs/dbraw/zinc/33/97/32/683339732.db2.gz ZNVGLISZKCFDCE-INIZCTEOSA-N 1 0 351.491 2.424 20 30 FEEDRO CCN(C[C@@H](C)C#N)S(=O)(=O)NC1CCC(C)([NH+]2CCCC2)CC1 ZINC000921279744 683412614 /nfs/dbraw/zinc/41/26/14/683412614.db2.gz CNPOUYFQULNGEA-GTPINHCMSA-N 1 0 356.536 2.099 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)[C@@H](C)N(CCC)C(=O)OC(C)(C)C)CC1 ZINC000928651665 683481398 /nfs/dbraw/zinc/48/13/98/683481398.db2.gz ZHEBINNUSRNXAZ-OAHLLOKOSA-N 1 0 351.491 2.236 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)c2[nH]nc3ccc(Br)cc32)CC1 ZINC000928655655 683481997 /nfs/dbraw/zinc/48/19/97/683481997.db2.gz VYMRTEDFXXINLZ-UHFFFAOYSA-N 1 0 361.243 2.153 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)CSc2nc(C)c(C)c(C)c2C#N)CC1 ZINC000928658797 683483116 /nfs/dbraw/zinc/48/31/16/683483116.db2.gz SENGVBDQNXULOF-UHFFFAOYSA-N 1 0 356.495 2.184 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)c2cnc(NC(=O)OC(C)(C)C)s2)CC1 ZINC000928661067 683483301 /nfs/dbraw/zinc/48/33/01/683483301.db2.gz MMYAKSGTHPQCMJ-UHFFFAOYSA-N 1 0 364.471 2.318 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)Cc2sc(CC(F)(F)F)nc2C)CC1 ZINC000928659935 683483520 /nfs/dbraw/zinc/48/35/20/683483520.db2.gz FACRXXMMPTZPHH-UHFFFAOYSA-N 1 0 359.417 2.313 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)[C@@H](CC(=C)Cl)NC(=O)OC(C)(C)C)CC1 ZINC000928660198 683483590 /nfs/dbraw/zinc/48/35/90/683483590.db2.gz LRWFISUSSZOUCU-OAHLLOKOSA-N 1 0 369.893 2.236 20 30 FEEDRO C#C[C@@H](CO)NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccs1 ZINC000861884255 683492654 /nfs/dbraw/zinc/49/26/54/683492654.db2.gz KOJDJVZPFJHCGH-RCCFBDPRSA-N 1 0 354.475 2.074 20 30 FEEDRO C=C(C[NH+](C)C)C(=O)N1CCCC[C@@H]1c1ncc(Br)cn1 ZINC000928939528 683524959 /nfs/dbraw/zinc/52/49/59/683524959.db2.gz OGOMIORCUFHIQX-CYBMUJFWSA-N 1 0 353.264 2.411 20 30 FEEDRO CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1C[NH2+]C1CCN(CC#N)CC1 ZINC000862277671 683563368 /nfs/dbraw/zinc/56/33/68/683563368.db2.gz JKUUQOUQAPROIP-AWEZNQCLSA-N 1 0 358.433 2.209 20 30 FEEDRO C[NH+]1CCN(c2ccccc2NC(=O)NCc2nc(C#N)cs2)CC1 ZINC000929418658 683592993 /nfs/dbraw/zinc/59/29/93/683592993.db2.gz JWLWMWQXRCCKMU-UHFFFAOYSA-N 1 0 356.455 2.088 20 30 FEEDRO C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)CCc1cccc(Cl)c1 ZINC000922022951 683639377 /nfs/dbraw/zinc/63/93/77/683639377.db2.gz RIMYHSXEAIXSLZ-UHFFFAOYSA-N 1 0 354.903 2.242 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCC[C@H]2CCC(F)(F)C2)CC1 ZINC000930011213 683669057 /nfs/dbraw/zinc/66/90/57/683669057.db2.gz ZRQJHNXHWMFFRH-CQSZACIVSA-N 1 0 357.445 2.085 20 30 FEEDRO CCO[C@@H](CNC(=O)Nc1cc(C#N)ccc1OC(F)F)C[NH+](C)C ZINC000930179317 683689468 /nfs/dbraw/zinc/68/94/68/683689468.db2.gz BQJAZKYYHCTSJK-LBPRGKRZSA-N 1 0 356.373 2.248 20 30 FEEDRO N#Cc1ccccc1OC[C@@H](O)C[NH2+]C[C@H](O)c1c(F)cccc1Cl ZINC000863564048 683742598 /nfs/dbraw/zinc/74/25/98/683742598.db2.gz SPMPABODWSRYLC-BBRMVZONSA-N 1 0 364.804 2.414 20 30 FEEDRO N#CC1(C[C@@H](O)C[NH2+]C[C@@H](O)c2ccc(Cl)c(F)c2)CCOCC1 ZINC000863563390 683742715 /nfs/dbraw/zinc/74/27/15/683742715.db2.gz PTXXRXZPKVLJPF-CZUORRHYSA-N 1 0 356.825 2.173 20 30 FEEDRO C#CC[C@@H](CCOC)[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000863589860 683747127 /nfs/dbraw/zinc/74/71/27/683747127.db2.gz YSRWMYNNWXLPNE-GJZGRUSLSA-N 1 0 374.250 2.346 20 30 FEEDRO CCN(CC)c1ccc(/C=[NH+]\CCCN2CCCS2(=O)=O)c(O)c1 ZINC000864347463 683840703 /nfs/dbraw/zinc/84/07/03/683840703.db2.gz RBRNKRDRKNJLFJ-JXAWBTAJSA-N 1 0 353.488 2.083 20 30 FEEDRO C[NH+]1CCC(C#N)(NC(=O)[C@@H]2CC(c3cccc(Cl)c3F)=NO2)CC1 ZINC000865199453 683949990 /nfs/dbraw/zinc/94/99/90/683949990.db2.gz SEQJVRCTWBNOMX-AWEZNQCLSA-N 1 0 364.808 2.076 20 30 FEEDRO C[NH+]1CCC(NC(=O)CSc2nc(C(F)(F)F)ccc2C#N)CC1 ZINC000865363042 683973888 /nfs/dbraw/zinc/97/38/88/683973888.db2.gz HKIVDGLDSYYBMW-UHFFFAOYSA-N 1 0 358.389 2.275 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1C(F)(F)F ZINC000866809739 684157630 /nfs/dbraw/zinc/15/76/30/684157630.db2.gz NEQSYONBFRMDQE-LMKPVCQUSA-N 1 0 373.400 2.386 20 30 FEEDRO COC[C@]1(C(=O)OC(C)(C)C)C[N@H+](CC2CCC(C#N)CC2)CCO1 ZINC000931500833 684293959 /nfs/dbraw/zinc/29/39/59/684293959.db2.gz YHLMMRZJFJDUBC-RJYAGPCLSA-N 1 0 352.475 2.375 20 30 FEEDRO FC1(F)[C@H]2CN(C[C@@H]3C[NH2+]CCO3)C[C@H]2C(F)(F)C(F)(F)C1(F)F ZINC000923530826 684299713 /nfs/dbraw/zinc/29/97/13/684299713.db2.gz KERCIRBABOSFPM-XHNCKOQMSA-N 1 0 368.268 2.078 20 30 FEEDRO CN(CCc1cccc(C#N)c1)S(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000867699524 684355015 /nfs/dbraw/zinc/35/50/15/684355015.db2.gz WKFWRGHEBCXMIK-UHFFFAOYSA-N 1 0 357.479 2.483 20 30 FEEDRO C=C(Br)CNC(=O)NCc1ccnc(N2CCSCC2)c1 ZINC000868153637 684458189 /nfs/dbraw/zinc/45/81/89/684458189.db2.gz CBUNFLLLWJSNDJ-UHFFFAOYSA-N 1 0 371.304 2.343 20 30 FEEDRO C#CCN(C(=O)NC[C@@H](CC)C(=O)OC(C)(C)C)C1CC[NH+](C)CC1 ZINC000925692619 684578888 /nfs/dbraw/zinc/57/88/88/684578888.db2.gz OJZVDVMOFYCEPM-OAHLLOKOSA-N 1 0 351.491 2.093 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)Nc2[nH]nc3cnc(Br)cc32)CC1 ZINC000869772130 684653946 /nfs/dbraw/zinc/65/39/46/684653946.db2.gz LKPMJTGNTBURQA-UHFFFAOYSA-N 1 0 362.231 2.004 20 30 FEEDRO N#CCCCC[C@H]([NH3+])C(=O)N[C@@H]1COc2cccc(Br)c2C1 ZINC000871008350 684779451 /nfs/dbraw/zinc/77/94/51/684779451.db2.gz RZAXCHBWMNZAGF-FZMZJTMJSA-N 1 0 366.259 2.280 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CN1C(=O)N[C@@H](Cc2cncs2)C1=O)C(C)C ZINC000871893798 684875238 /nfs/dbraw/zinc/87/52/38/684875238.db2.gz FNZTWVREXIXFDB-JKSUJKDBSA-N 1 0 362.499 2.305 20 30 FEEDRO CN(CCC#N)C[C@H](O)C[NH2+]CC1(c2ccc(Br)cc2)CC1 ZINC000872247086 684931764 /nfs/dbraw/zinc/93/17/64/684931764.db2.gz LBYMLHQABDFPFQ-MRXNPFEDSA-N 1 0 366.303 2.277 20 30 FEEDRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000872664420 685000813 /nfs/dbraw/zinc/00/08/13/685000813.db2.gz ROUCPEAGACJGDU-LSDHHAIUSA-N 1 0 373.400 2.434 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)Nc1ccccc1C(=O)NC[C@@H]1CCCO1 ZINC000876568208 686221497 /nfs/dbraw/zinc/22/14/97/686221497.db2.gz VVKASCHNSYEAFQ-JSGCOSHPSA-N 1 0 351.834 2.004 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)Nc1cccc(OCC(=O)N(CC)CC)c1 ZINC000876582977 686224515 /nfs/dbraw/zinc/22/45/15/686224515.db2.gz CQIMDLDYIMRDHI-HNNXBMFYSA-N 1 0 353.850 2.342 20 30 FEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC(C(=O)NCc2ccc(F)cc2)CC1 ZINC000876593866 686225828 /nfs/dbraw/zinc/22/58/28/686225828.db2.gz JGBHBJBUMAOWSE-MRXNPFEDSA-N 1 0 367.852 2.150 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NCc1cccc(COC2CCOCC2)c1 ZINC000876655257 686237346 /nfs/dbraw/zinc/23/73/46/686237346.db2.gz XZKRZZXWWQVBRL-KRWDZBQOSA-N 1 0 352.862 2.468 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H]1CCCN(Cc2ccc(F)cc2F)C1=O ZINC000876890483 686288390 /nfs/dbraw/zinc/28/83/90/686288390.db2.gz AIIMLIFLZFSEBZ-GJZGRUSLSA-N 1 0 371.815 2.042 20 30 FEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC(c2ncc(C(=O)OC)s2)CC1 ZINC000877011085 686309702 /nfs/dbraw/zinc/30/97/02/686309702.db2.gz WLDPXAJMBIGPMP-LLVKDONJSA-N 1 0 357.863 2.106 20 30 FEEDRO O=C(C#CC1CC[NH2+]CC1)NCc1ccc(Br)c(F)c1F ZINC000877032319 686315047 /nfs/dbraw/zinc/31/50/47/686315047.db2.gz GWNCTCUWJLUKDV-UHFFFAOYSA-N 1 0 357.198 2.347 20 30 FEEDRO C#CCCCCCC[NH2+]C1CCN(S(=O)(=O)C2CCOCC2)CC1 ZINC000877050722 686318360 /nfs/dbraw/zinc/31/83/60/686318360.db2.gz ONFJMECRGUSMTB-UHFFFAOYSA-N 1 0 356.532 2.133 20 30 FEEDRO CC(C)(C[NH2+]Cc1cc(C#N)cnc1Cl)[C@H]1COCC12OCCO2 ZINC000877585738 686416188 /nfs/dbraw/zinc/41/61/88/686416188.db2.gz VLNYFYLNJAEYBK-CQSZACIVSA-N 1 0 351.834 2.112 20 30 FEEDRO C[NH+]1CCC2(CCN(CCS(=O)(=O)c3cccc(C#N)c3)CC2)CC1 ZINC000879250641 686779828 /nfs/dbraw/zinc/77/98/28/686779828.db2.gz XRSFWHRDVXPTGZ-UHFFFAOYSA-N 1 0 361.511 2.140 20 30 FEEDRO C=CCC[C@H](O)C[N@H+]1C[C@@H](C)O[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000880221780 687018989 /nfs/dbraw/zinc/01/89/89/687018989.db2.gz RMLOROALPZYAFR-GJYPPUQNSA-N 1 0 354.491 2.414 20 30 FEEDRO O=C1c2ccccc2C(=O)N1CC#CC[N@@H+]1CC[C@@H](c2nccs2)C1 ZINC000880323925 687035336 /nfs/dbraw/zinc/03/53/36/687035336.db2.gz WYVQUOZGIOUMJQ-CQSZACIVSA-N 1 0 351.431 2.232 20 30 FEEDRO CC(C)[C@H](CNc1ncc(C#N)cc1Br)N1CC[NH+](C)CC1 ZINC000881787915 687216138 /nfs/dbraw/zinc/21/61/38/687216138.db2.gz RSPHGXFSKORNCI-HNNXBMFYSA-N 1 0 366.307 2.400 20 30 FEEDRO N#Cc1ccc(CN2CCN(C(=O)NCCc3ccns3)CC2)cc1 ZINC000883785105 687725985 /nfs/dbraw/zinc/72/59/85/687725985.db2.gz ISVZQNFRVQUGPQ-UHFFFAOYSA-N 1 0 355.467 2.085 20 30 FEEDRO N#C[C@H]1C[NH2+]CC12CC(C(=O)Nc1ccc(N3CCSCC3)cc1)C2 ZINC000884223286 687822792 /nfs/dbraw/zinc/82/27/92/687822792.db2.gz MYLKWWHWUJJJLS-HVEKOLDVSA-N 1 0 356.495 2.318 20 30 FEEDRO Cc1ccc(C#N)cc1S(=O)(=O)N1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000885845798 688167244 /nfs/dbraw/zinc/16/72/44/688167244.db2.gz SSGILBULGVOOGD-OAHLLOKOSA-N 1 0 356.451 2.161 20 30 FEEDRO N#CC1(C[C@@H](O)CN2CC[NH+](CCCOCC(F)(F)F)CC2)CCC1 ZINC000885964646 688187531 /nfs/dbraw/zinc/18/75/31/688187531.db2.gz DMCXZSQOHIXBED-OAHLLOKOSA-N 1 0 363.424 2.018 20 30 FEEDRO C#CC[N@@H+](CCCC(=O)N(C)C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000886426059 688253288 /nfs/dbraw/zinc/25/32/88/688253288.db2.gz GCTMQVHGTHONCO-UHFFFAOYSA-N 1 0 351.491 2.190 20 30 FEEDRO C#CCN(C(=O)CCc1c(C)nc(SC)nc1C)C1CC[NH+](C)CC1 ZINC000886587454 688280478 /nfs/dbraw/zinc/28/04/78/688280478.db2.gz WZUKCKQLGDZXLB-UHFFFAOYSA-N 1 0 360.527 2.304 20 30 FEEDRO C[NH+](C)CCC[C@@H]1CN(C(=O)Nc2nc(Cl)c(C#N)s2)CCO1 ZINC000888426270 688610382 /nfs/dbraw/zinc/61/03/82/688610382.db2.gz PVJDELBIPIYKPF-SNVBAGLBSA-N 1 0 357.867 2.243 20 30 FEEDRO C[C@]1(C#N)CN(C(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)CCO1 ZINC000892512370 689206775 /nfs/dbraw/zinc/20/67/75/689206775.db2.gz RFUVKWQVDPWTNM-QAPCUYQASA-N 1 0 362.499 2.284 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCOC[C@H]2C[C@@H]2CCCO2)CC1 ZINC000892850299 689253210 /nfs/dbraw/zinc/25/32/10/689253210.db2.gz GKMGNKFKHDGXAP-MSOLQXFVSA-N 1 0 351.491 2.006 20 30 FEEDRO C[N@@H+]1CCC[C@H](CNC(=O)N2CCO[C@@](C)(C#N)C2)[C@@H]1c1cccs1 ZINC000893201064 689312674 /nfs/dbraw/zinc/31/26/74/689312674.db2.gz VOQHNPXLTITIGW-KYJSFNMBSA-N 1 0 362.499 2.455 20 30 FEEDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)NCc1nc(C#N)cs1 ZINC000894231969 689491353 /nfs/dbraw/zinc/49/13/53/689491353.db2.gz AOXKLFWLWMGWJO-XJKSGUPXSA-N 1 0 355.467 2.334 20 30 FEEDRO C#C[C@H](NC(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1)c1ccc(Br)cc1 ZINC000895687569 689754992 /nfs/dbraw/zinc/75/49/92/689754992.db2.gz WCUIAPSUFBGVQG-LZWOXQAQSA-N 1 0 362.271 2.326 20 30 FEEDRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2ncc(C#N)s2)[C@H](c2cnn(C)c2)C1 ZINC000896494059 689880959 /nfs/dbraw/zinc/88/09/59/689880959.db2.gz HRUCUOMTLSGEJD-GJZGRUSLSA-N 1 0 358.471 2.201 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)Nc1nc(-c2ccc(CNC(C)=O)o2)cs1 ZINC000900632403 690541246 /nfs/dbraw/zinc/54/12/46/690541246.db2.gz VPCGSQNHTXLDIB-UHFFFAOYSA-N 1 0 362.455 2.486 20 30 FEEDRO C[N@@H+]1CCC[C@](O)(CC(=O)N[C@H](C#N)c2cccc(C(F)(F)F)c2)C1 ZINC000900645417 690542869 /nfs/dbraw/zinc/54/28/69/690542869.db2.gz YEUXKFOUYGSDDW-ZBFHGGJFSA-N 1 0 355.360 2.233 20 30 FEEDRO C[C@H](NC(=O)c1c(Cl)cc(C#N)cc1Cl)[C@H]1C[N@H+](C)CCN1C ZINC000900801170 690564191 /nfs/dbraw/zinc/56/41/91/690564191.db2.gz BJENEGDEFYUZII-IINYFYTJSA-N 1 0 355.269 2.229 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)NC[C@@H](O)COc1cccc(C(F)(F)F)c1 ZINC000901069146 690608394 /nfs/dbraw/zinc/60/83/94/690608394.db2.gz VTOVJBLGPXKENN-CQSZACIVSA-N 1 0 360.376 2.069 20 30 FEEDRO C=CCC[C@@H](COc1ccccc1)[NH2+]CCS(=O)(=O)N=S(C)(C)=O ZINC000903225370 690869342 /nfs/dbraw/zinc/86/93/42/690869342.db2.gz HBDVXDXMIHIPIX-HNNXBMFYSA-N 1 0 374.528 2.047 20 30 FEEDRO N#Cc1ccccc1S(=O)(=O)N1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000903530919 690913450 /nfs/dbraw/zinc/91/34/50/690913450.db2.gz LHLBSXOHVHUKAF-UHFFFAOYSA-N 1 0 355.463 2.239 20 30 FEEDRO N#Cc1cc(S(=O)(=O)N2CCC[C@H]3CC[C@@]32C[NH3+])ccc1C(F)(F)F ZINC000903536145 690915204 /nfs/dbraw/zinc/91/52/04/690915204.db2.gz ANXAUJUBPPKCHA-SWLSCSKDSA-N 1 0 373.400 2.469 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)NC2(C3CC[NH2+]CC3)CC2)cc1C(F)(F)F ZINC000903557045 690923618 /nfs/dbraw/zinc/92/36/18/690923618.db2.gz OWDFMMMREAFBIU-UHFFFAOYSA-N 1 0 373.400 2.388 20 30 FEEDRO C=C(C)C[C@@H](CO)[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000905455234 691121413 /nfs/dbraw/zinc/12/14/13/691121413.db2.gz XVGJCVHNSFYKQV-UONOGXRCSA-N 1 0 362.239 2.245 20 30 FEEDRO N#CCc1ccc(OC[C@H](O)C[NH2+]C[C@@H]2CC[C@H](C(F)(F)F)O2)cc1 ZINC000905518136 691130782 /nfs/dbraw/zinc/13/07/82/691130782.db2.gz WYVWVEYIPWUINC-VNQPRFMTSA-N 1 0 358.360 2.192 20 30 FEEDRO C[C@H]1Cc2cc(C[NH2+]CCS(=O)(=O)c3cccc(C#N)c3)ccc2O1 ZINC000905565919 691142341 /nfs/dbraw/zinc/14/23/41/691142341.db2.gz SSZFAISCVSONQY-AWEZNQCLSA-N 1 0 356.447 2.445 20 30 FEEDRO C#CCN(C(=O)c1ccc(OC)cc1OC(F)F)C1CC[NH+](C)CC1 ZINC000906452589 691270073 /nfs/dbraw/zinc/27/00/73/691270073.db2.gz WERSAGKBSQGWOT-UHFFFAOYSA-N 1 0 352.381 2.466 20 30 FEEDRO CN(CCCCC(=O)NC1(C#N)CC[NH+](C)CC1)C(=O)OC(C)(C)C ZINC000906602905 691290581 /nfs/dbraw/zinc/29/05/81/691290581.db2.gz GHRMGGLOJCNIHT-UHFFFAOYSA-N 1 0 352.479 2.128 20 30 FEEDRO CC[NH+](CC)Cc1ccc(CNS(=O)(=O)c2ccc(C#N)cn2)cc1 ZINC000906813705 691320875 /nfs/dbraw/zinc/32/08/75/691320875.db2.gz DYISEKLFDYACDJ-UHFFFAOYSA-N 1 0 358.467 2.274 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)N[C@@H](c1ccc(C)cc1)[C@H](C)S(C)(=O)=O ZINC000907955831 691589519 /nfs/dbraw/zinc/58/95/19/691589519.db2.gz ZWGBZZAKEZEHCT-DOTOQJQBSA-N 1 0 352.500 2.093 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)Nc1ccc(NS(=O)(=O)CCC)cc1F ZINC000909037277 691770215 /nfs/dbraw/zinc/77/02/15/691770215.db2.gz GGYUVIHLVOMDRE-UHFFFAOYSA-N 1 0 357.451 2.424 20 30 FEEDRO C=C(C)Cn1c(-c2cnsn2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000909316899 691806032 /nfs/dbraw/zinc/80/60/32/691806032.db2.gz ODBWGXVEEZKMEW-AWEZNQCLSA-N 1 0 359.503 2.437 20 30 FEEDRO CCOC(=O)C1CC[NH+](C2CCN(c3cc(OC)cc(C#N)n3)CC2)CC1 ZINC001164617822 719027258 /nfs/dbraw/zinc/02/72/58/719027258.db2.gz POPWSVCZOVSHFG-UHFFFAOYSA-N 1 0 372.469 2.206 20 30 FEEDRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nnc(Cl)cc1C#N)C2 ZINC001164815694 720090117 /nfs/dbraw/zinc/09/01/17/720090117.db2.gz ZELMUHMCGNTLLB-CRAIPNDOSA-N 1 0 361.877 2.186 20 30 FEEDRO Cc1nc(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)ccc1C#N ZINC001164828912 720328347 /nfs/dbraw/zinc/32/83/47/720328347.db2.gz KNLVMYQAHCIMQP-RBUKOAKNSA-N 1 0 367.497 2.173 20 30 FEEDRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2ncc(C#N)cc2F)CC1 ZINC001164827721 720329655 /nfs/dbraw/zinc/32/96/55/720329655.db2.gz HYHAOUXHTGNYBO-QZTJIDSGSA-N 1 0 371.460 2.004 20 30 FEEDRO COCC[N@@H+]1CCO[C@H]2CN(c3ncc4c(c3C#N)CCCC4)CC[C@H]2C1 ZINC001164863004 720891104 /nfs/dbraw/zinc/89/11/04/720891104.db2.gz SGJGXTUBYBAKGL-PXNSSMCTSA-N 1 0 370.497 2.006 20 30 FEEDRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ccc5[nH]c(C#N)cc5n4)C[C@@H]3C2)cn1 ZINC001164771483 721186806 /nfs/dbraw/zinc/18/68/06/721186806.db2.gz QLHHQIYLPBVFJL-HOTGVXAUSA-N 1 0 361.453 2.126 20 30 FEEDRO Cc1cc(N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)ncc1C#N ZINC001164892490 721403921 /nfs/dbraw/zinc/40/39/21/721403921.db2.gz YKPSUCLYMANKFH-FPOVZHCZSA-N 1 0 369.513 2.027 20 30 FEEDRO N#Cc1c(F)ccnc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164979216 722126482 /nfs/dbraw/zinc/12/64/82/722126482.db2.gz POVJIDWZPQWWOK-QFBILLFUSA-N 1 0 367.428 2.215 20 30 FEEDRO Cc1cc(NC(=O)Nc2ccn(CCC#N)n2)n(C2CC[NH+](C)CC2)n1 ZINC000526064047 828822830 /nfs/dbraw/zinc/82/28/30/828822830.db2.gz SRFWRFAZDGGKCW-UHFFFAOYSA-N 1 0 356.434 2.212 20 30 FEEDRO N#Cc1ccc(-n2ccc(NC(=O)N[C@@H]3CC[NH2+]C34CCC4)n2)c(F)c1 ZINC000528685483 829511480 /nfs/dbraw/zinc/51/14/80/829511480.db2.gz HLDMZMVOZCPLLA-OAHLLOKOSA-N 1 0 354.389 2.289 20 30 FEEDRO C[N@H+](Cc1ccccc1)[C@H](CNC(=O)CNc1ccc(C#N)cn1)C1CC1 ZINC000482259266 887353290 /nfs/dbraw/zinc/35/32/90/887353290.db2.gz GKXSCQUIAAIENN-LJQANCHMSA-N 1 0 363.465 2.392 20 30 FEEDRO CNC(=O)C1CC[NH+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)CC1 ZINC000029163781 539845430 /nfs/dbraw/zinc/84/54/30/539845430.db2.gz TYBGTHMKYMTWLJ-UHFFFAOYSA-N 1 0 374.510 2.285 20 30 FEEDRO Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+](C)[C@@H]3CCC[C@@H](C)C3)CC2)o1 ZINC000029820688 539865318 /nfs/dbraw/zinc/86/53/18/539865318.db2.gz YROXLTRLTOTOCT-GDBMZVCRSA-N 1 0 359.474 2.014 20 30 FEEDRO N#Cc1cccc(NC(=O)NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c1 ZINC000043329564 540097368 /nfs/dbraw/zinc/09/73/68/540097368.db2.gz WAFDDAJRBDISMH-LJQANCHMSA-N 1 0 350.422 2.099 20 30 FEEDRO C[C@H](CNC(=O)C(=O)Nc1sccc1C#N)[N@H+](C)Cc1ccccc1 ZINC000550380104 674092332 /nfs/dbraw/zinc/09/23/32/674092332.db2.gz AJBQKGGBDWQRNL-CYBMUJFWSA-N 1 0 356.451 2.195 20 30 FEEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000045086173 540203497 /nfs/dbraw/zinc/20/34/97/540203497.db2.gz LTCXQXLFMWHKKV-UHFFFAOYSA-N 1 0 357.502 2.433 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(COCC)cc2)CC1 ZINC000076282899 542253990 /nfs/dbraw/zinc/25/39/90/542253990.db2.gz RWPYYWPNQQADAQ-UHFFFAOYSA-N 1 0 359.470 2.318 20 30 FEEDRO C[NH+](C)CCOc1cccc(CNC(=O)NCc2ccc(C#N)cc2)c1 ZINC000045814256 540229965 /nfs/dbraw/zinc/22/99/65/540229965.db2.gz IUBMQTRJAQBNAU-UHFFFAOYSA-N 1 0 352.438 2.498 20 30 FEEDRO C=CCN1C(=O)c2ccc(C(=O)NC[C@H](C)[N@@H+]3CCCC[C@H]3C)cc2C1=O ZINC000046593538 540263093 /nfs/dbraw/zinc/26/30/93/540263093.db2.gz UMFFPFXLHYEHAM-CABCVRRESA-N 1 0 369.465 2.461 20 30 FEEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000047416588 540308659 /nfs/dbraw/zinc/30/86/59/540308659.db2.gz JJMFEJHGCVSUSF-GASCZTMLSA-N 1 0 372.513 2.280 20 30 FEEDRO C[N@H+](CCCNC(=O)C(=O)Nc1cccc(C#N)c1)Cc1ccccc1 ZINC000049305427 540386982 /nfs/dbraw/zinc/38/69/82/540386982.db2.gz VXQQQLUIYKUJSQ-UHFFFAOYSA-N 1 0 350.422 2.135 20 30 FEEDRO COc1ccc(C#N)cc1NC(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000050089368 540398874 /nfs/dbraw/zinc/39/88/74/540398874.db2.gz XMULWRYQWLZXIQ-UHFFFAOYSA-N 1 0 371.485 2.058 20 30 FEEDRO CCCCNC(=O)[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000051060161 540421204 /nfs/dbraw/zinc/42/12/04/540421204.db2.gz FFABCAPEPAOCIT-DLBZAZTESA-N 1 0 362.518 2.346 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCc1nccs1 ZINC000051756619 540442473 /nfs/dbraw/zinc/44/24/73/540442473.db2.gz YIFFZLZJQVDPOP-UHFFFAOYSA-N 1 0 357.483 2.331 20 30 FEEDRO C[C@H]1CN(C(=O)C2CC[NH+](CCOc3cccc(C#N)c3)CC2)C[C@H](C)O1 ZINC000051765460 540443558 /nfs/dbraw/zinc/44/35/58/540443558.db2.gz NEKBQSISXMCBKN-IRXDYDNUSA-N 1 0 371.481 2.285 20 30 FEEDRO CC(=O)Nc1cccc2c1CC[N@H+](C[C@@H](O)COc1ccc(C#N)cc1)C2 ZINC000054391633 540587521 /nfs/dbraw/zinc/58/75/21/540587521.db2.gz TVWSLIKGGRPPQH-GOSISDBHSA-N 1 0 365.433 2.315 20 30 FEEDRO COc1ccc(NC(=O)CC[NH+]2CCN(c3cc(C#N)ccn3)CC2)cc1 ZINC000055901112 540684855 /nfs/dbraw/zinc/68/48/55/540684855.db2.gz IPAYWZIGKLULTL-UHFFFAOYSA-N 1 0 365.437 2.113 20 30 FEEDRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNS(=O)(=O)N(C)CCC#N)C1 ZINC000056064568 540698644 /nfs/dbraw/zinc/69/86/44/540698644.db2.gz KGWNZIXHUJPWDA-MRXNPFEDSA-N 1 0 364.515 2.098 20 30 FEEDRO C[C@H]([NH2+]CC(=O)N[C@](C)(C#N)C1CC1)C1CCN(CC(F)(F)F)CC1 ZINC000550684001 674105503 /nfs/dbraw/zinc/10/55/03/674105503.db2.gz HKLDAKWMLZJTOS-BLLLJJGKSA-N 1 0 360.424 2.047 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Cn1c(C)c(C)sc1=O)C(C)C ZINC000056969087 540758727 /nfs/dbraw/zinc/75/87/27/540758727.db2.gz CQFJEFMRRVULEB-INIZCTEOSA-N 1 0 351.516 2.341 20 30 FEEDRO CC[N@H+](C)[C@H](C(=O)N1CCN(c2ccc(C#N)cn2)CC1)c1ccccc1 ZINC000057835178 540818249 /nfs/dbraw/zinc/81/82/49/540818249.db2.gz BRIVWHPVICIWRM-FQEVSTJZSA-N 1 0 363.465 2.295 20 30 FEEDRO CC(C)(C)[N@@H+]1CCCN(C(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)CC1 ZINC000057700698 540809400 /nfs/dbraw/zinc/80/94/00/540809400.db2.gz WJSAWPNKPCUJSY-UHFFFAOYSA-N 1 0 362.861 2.483 20 30 FEEDRO C#CCOc1ccc(Br)cc1C[NH2+]CCCN1CCOCC1 ZINC000060806525 541121637 /nfs/dbraw/zinc/12/16/37/541121637.db2.gz HRRFWGOBUMBCGV-UHFFFAOYSA-N 1 0 367.287 2.273 20 30 FEEDRO Cc1ccc(C[N@@H+]2CCCN(C(=O)CN3CCC(C#N)CC3)CC2)cc1 ZINC000060893116 541123526 /nfs/dbraw/zinc/12/35/26/541123526.db2.gz LUSGYLQTWNPWRQ-UHFFFAOYSA-N 1 0 354.498 2.265 20 30 FEEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc([S@](C)=O)cc1 ZINC000065930755 541272125 /nfs/dbraw/zinc/27/21/25/541272125.db2.gz LSZWOMRBUFKOPJ-AREMUKBSSA-N 1 0 369.490 2.500 20 30 FEEDRO CCC(=O)N1CCC[C@H](C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)C1 ZINC000065930381 541272522 /nfs/dbraw/zinc/27/25/22/541272522.db2.gz OWNUXBRDFIHKKE-IBGZPJMESA-N 1 0 370.497 2.097 20 30 FEEDRO N#Cc1cccnc1N1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000065947226 541273969 /nfs/dbraw/zinc/27/39/69/541273969.db2.gz VECPRJUJKDSLTK-UHFFFAOYSA-N 1 0 355.486 2.162 20 30 FEEDRO N#CCCN(C(=O)CCC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccccc1 ZINC000066621362 541348727 /nfs/dbraw/zinc/34/87/27/541348727.db2.gz FOGYBPPRWQVOCN-KRWDZBQOSA-N 1 0 368.481 2.314 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N2CCCN(c3ccc(OC)cc3)CC2)CC1 ZINC000066921306 541394018 /nfs/dbraw/zinc/39/40/18/541394018.db2.gz IUKXNOJZOUIXBJ-UHFFFAOYSA-N 1 0 355.482 2.079 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N[C@@H](c2ccc3c(c2)OCCO3)C2CC2)CC1 ZINC000066921774 541394188 /nfs/dbraw/zinc/39/41/88/541394188.db2.gz RTSOUNMDFDWELB-HXUWFJFHSA-N 1 0 354.450 2.370 20 30 FEEDRO C[C@H]1CCCC[N@@H+]1CCNC(=O)NC1CCN(c2ccc(C#N)cn2)CC1 ZINC000067033477 541409006 /nfs/dbraw/zinc/40/90/06/541409006.db2.gz ZINYTVQEJTVZPP-INIZCTEOSA-N 1 0 370.501 2.096 20 30 FEEDRO N#Cc1ccc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)cc1C(F)(F)F ZINC000067371943 541451479 /nfs/dbraw/zinc/45/14/79/541451479.db2.gz RPWDZFJYGRUPFU-UHFFFAOYSA-N 1 0 366.387 2.321 20 30 FEEDRO C=CCOc1cccc(NC(=O)C(=O)NCC[N@@H+](C)Cc2ccccc2)c1 ZINC000067379609 541452898 /nfs/dbraw/zinc/45/28/98/541452898.db2.gz BOAJNABPDQJQSF-UHFFFAOYSA-N 1 0 367.449 2.438 20 30 FEEDRO CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2cc(C#N)ccc2OC(C)C)C1 ZINC000067393165 541455112 /nfs/dbraw/zinc/45/51/12/541455112.db2.gz YTLRXDWJYMLJLA-INIZCTEOSA-N 1 0 372.469 2.132 20 30 FEEDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000067398050 541457195 /nfs/dbraw/zinc/45/71/95/541457195.db2.gz VRBBBTPSUOOSLS-QWHCGFSZSA-N 1 0 362.861 2.387 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)c2cccc(CNc3ccncn3)c2)CC1 ZINC000543523456 541604679 /nfs/dbraw/zinc/60/46/79/541604679.db2.gz VPOKXEISWQVULG-UHFFFAOYSA-N 1 0 351.454 2.469 20 30 FEEDRO Cc1cc(C)n(-c2ccc(C(=O)NC3(C#N)CC[NH+](C)CC3)cc2F)n1 ZINC000069704227 541706025 /nfs/dbraw/zinc/70/60/25/541706025.db2.gz ZBTSNLAETVZFFI-UHFFFAOYSA-N 1 0 355.417 2.346 20 30 FEEDRO N#CCSCCC[NH+]1CCC(NS(=O)(=O)c2ccccc2)CC1 ZINC000072513524 541824780 /nfs/dbraw/zinc/82/47/80/541824780.db2.gz XJMLKQPJODLILC-UHFFFAOYSA-N 1 0 353.513 2.076 20 30 FEEDRO CCN(CC)C(=O)C1CC[NH+](CCC(=O)Nc2cccc(C#N)c2)CC1 ZINC000072583910 541835049 /nfs/dbraw/zinc/83/50/49/541835049.db2.gz INRQOEMPPPWSAX-UHFFFAOYSA-N 1 0 356.470 2.467 20 30 FEEDRO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCC[C@@]3(CNC(=O)C3)C1)CCC2 ZINC000072831273 541876382 /nfs/dbraw/zinc/87/63/82/541876382.db2.gz HUSYIFXENODGEK-LJQANCHMSA-N 1 0 372.494 2.039 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@H]1CCC[C@@H](C(N)=O)C1)C(C)C ZINC000247399929 549329039 /nfs/dbraw/zinc/32/90/39/549329039.db2.gz RGAIHZLITCVIPM-IXDOHACOSA-N 1 0 350.507 2.028 20 30 FEEDRO C[N@H+](CCC(=O)Nc1ccccc1C#N)C[C@H](O)COCc1ccccc1 ZINC000074289090 542064189 /nfs/dbraw/zinc/06/41/89/542064189.db2.gz STKVJCRBAXPWES-IBGZPJMESA-N 1 0 367.449 2.396 20 30 FEEDRO CC[NH+]1CCN(CCC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)CC1 ZINC000075536208 542186515 /nfs/dbraw/zinc/18/65/15/542186515.db2.gz AJARLTZONXQSRU-WOJBJXKFSA-N 1 0 354.498 2.312 20 30 FEEDRO CC[C@H](CO)[NH+]1CCN([C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)CC1 ZINC000075962773 542218805 /nfs/dbraw/zinc/21/88/05/542218805.db2.gz UUBNKEFPJRKNQO-RBUKOAKNSA-N 1 0 372.513 2.019 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccccc2N2CCCCC2)CC1 ZINC000076525989 542289120 /nfs/dbraw/zinc/28/91/20/542289120.db2.gz DGYQGTLEQXWZQM-UHFFFAOYSA-N 1 0 370.497 2.382 20 30 FEEDRO N#Cc1ccc(N2CCN(C(=O)N[C@H]3CC[N@H+](CC4CC4)C3)CC2)c(F)c1 ZINC000076982098 542338867 /nfs/dbraw/zinc/33/88/67/542338867.db2.gz NDFLAMXFSVCMEV-KRWDZBQOSA-N 1 0 371.460 2.013 20 30 FEEDRO CCn1c2ccccc2nc1SCC(=O)NC1(C#N)CC[NH+](C)CC1 ZINC000077039315 542342994 /nfs/dbraw/zinc/34/29/94/542342994.db2.gz UWXUWGHLHHUPOI-UHFFFAOYSA-N 1 0 357.483 2.252 20 30 FEEDRO Cc1cc(C#N)ccc1S(=O)(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000077373225 542373588 /nfs/dbraw/zinc/37/35/88/542373588.db2.gz NBROAQJSEGYBSW-GOSISDBHSA-N 1 0 357.479 2.318 20 30 FEEDRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000077371652 542373855 /nfs/dbraw/zinc/37/38/55/542373855.db2.gz YAFYDFMNDPVIQI-UWJYYQICSA-N 1 0 354.498 2.391 20 30 FEEDRO C=C(C)CN(CC)C(=O)[C@H](C)[NH2+]CC1(N2CCOCC2)CCCCC1 ZINC000078624509 542472824 /nfs/dbraw/zinc/47/28/24/542472824.db2.gz VEUBTNXZKICIAU-SFHVURJKSA-N 1 0 351.535 2.424 20 30 FEEDRO COc1ccc([C@@H](CNC(=O)CN(C)CCC#N)[NH+]2CCCCC2)cc1 ZINC000078645537 542473275 /nfs/dbraw/zinc/47/32/75/542473275.db2.gz JQPLPORTMSWDJB-LJQANCHMSA-N 1 0 358.486 2.184 20 30 FEEDRO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1CCC(C(=O)NC2CC2)CC1 ZINC000079214547 542506046 /nfs/dbraw/zinc/50/60/46/542506046.db2.gz FAPDIXAUPBSLME-ZGOJQLDESA-N 1 0 374.529 2.296 20 30 FEEDRO C[C@H](C#N)OCC[N@H+](C)[C@H](C)c1cccc(N2CCCS2(=O)=O)c1 ZINC000801946949 674156345 /nfs/dbraw/zinc/15/63/45/674156345.db2.gz QTECGYNMMVRKIY-HUUCEWRRSA-N 1 0 351.472 2.148 20 30 FEEDRO C[C@H](CNC(=O)N1CCN(c2cccc(F)c2C#N)CC1)C[NH+]1CCCC1 ZINC000080051340 542560584 /nfs/dbraw/zinc/56/05/84/542560584.db2.gz CZMFZEOZKJYCMV-MRXNPFEDSA-N 1 0 373.476 2.261 20 30 FEEDRO C/[NH+]=C(/NCc1cn2ccsc2n1)N[C@@H]1CCN(c2ccccc2)C1 ZINC000080909438 542614648 /nfs/dbraw/zinc/61/46/48/542614648.db2.gz NXORLTNKAIWDAY-CQSZACIVSA-N 1 0 354.483 2.340 20 30 FEEDRO CC[NH+]=C(NCc1cc(Br)cs1)NCc1ccnn1C ZINC000083848730 542705153 /nfs/dbraw/zinc/70/51/53/542705153.db2.gz ZNQVSCHCSPWUEX-UHFFFAOYSA-N 1 0 356.293 2.499 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N[C@H]2CCN(c3c(F)cccc3F)C2)CC1 ZINC000087116339 542742516 /nfs/dbraw/zinc/74/25/16/542742516.db2.gz XDSMTLWFXHYUPS-HNNXBMFYSA-N 1 0 364.440 2.493 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1ccc([S@](C)=O)c(F)c1 ZINC000086300452 542735738 /nfs/dbraw/zinc/73/57/38/542735738.db2.gz FHVSJGUXXBJJCW-XMMPIXPASA-N 1 0 354.451 2.262 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1cc(C(F)(F)F)c[nH]c1=O ZINC000086283867 542735925 /nfs/dbraw/zinc/73/59/25/542735925.db2.gz DFZUKUMDBNNBKG-UHFFFAOYSA-N 1 0 359.352 2.093 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)CCc2cn(C)c3ccccc23)c1C#N ZINC000089677915 542768170 /nfs/dbraw/zinc/76/81/70/542768170.db2.gz XKURBAQDCMCALG-UHFFFAOYSA-N 1 0 364.453 2.496 20 30 FEEDRO Cn1ncnc1NC(=O)N(CC[NH+](C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000091183985 542796818 /nfs/dbraw/zinc/79/68/18/542796818.db2.gz BVBGHTOOWLSYSH-UHFFFAOYSA-N 1 0 370.379 2.443 20 30 FEEDRO C#CCC[NH+]1CCN(c2ccc(C(=O)N3CCc4ccccc43)cn2)CC1 ZINC000091480525 542810228 /nfs/dbraw/zinc/81/02/28/542810228.db2.gz BAZCQOHJSSIWAP-UHFFFAOYSA-N 1 0 360.461 2.430 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)Nc1ccc2c(c1)COC2)C(C)C ZINC000092221789 542849528 /nfs/dbraw/zinc/84/95/28/542849528.db2.gz JTWWWTSLKFBBPG-LJQANCHMSA-N 1 0 371.481 2.470 20 30 FEEDRO N#Cc1cccc(CO[NH+]=C(N)c2ccc(N3CCC(O)CC3)cc2)c1 ZINC000092316346 542856841 /nfs/dbraw/zinc/85/68/41/542856841.db2.gz CRDRVIKLULRETD-UHFFFAOYSA-N 1 0 350.422 2.356 20 30 FEEDRO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2Cc2cnc3ccc(C#N)cn23)C[C@H](C)O1 ZINC000092506605 542867234 /nfs/dbraw/zinc/86/72/34/542867234.db2.gz LVGUUKFHELNPRR-JZXOWHBKSA-N 1 0 353.470 2.280 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC(n2cncn2)CC1)C(C)C ZINC000101791165 543045171 /nfs/dbraw/zinc/04/51/71/543045171.db2.gz RXRPDDVZLINQCB-GOSISDBHSA-N 1 0 360.506 2.323 20 30 FEEDRO COc1ccc(NC(=[NH2+])NCc2cccc(OCC(=O)N(C)C)c2)cc1 ZINC000104163082 543125437 /nfs/dbraw/zinc/12/54/37/543125437.db2.gz QGJRMOLLFWFKHB-UHFFFAOYSA-N 1 0 356.426 2.089 20 30 FEEDRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)NCc2cccc(C#N)c2)CC1 ZINC000105119793 543160009 /nfs/dbraw/zinc/16/00/09/543160009.db2.gz WCOGXSKKWPDPNU-ROUUACIJSA-N 1 0 369.513 2.258 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C[C@H](NC(N)=O)c2ccccc2C)CC1 ZINC000106036749 543186118 /nfs/dbraw/zinc/18/61/18/543186118.db2.gz VBEIHIIEAHMOFS-SFHVURJKSA-N 1 0 358.486 2.251 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)COc2ccc3c(c2)CCC(=O)N3)CC1 ZINC000106037241 543186133 /nfs/dbraw/zinc/18/61/33/543186133.db2.gz FXZULDVVCQYQHJ-UHFFFAOYSA-N 1 0 357.454 2.107 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)c2ccc(CN3C(=O)CCC3=O)cc2)CC1 ZINC000106039030 543186239 /nfs/dbraw/zinc/18/62/39/543186239.db2.gz JHZHAMMBKLAIQT-UHFFFAOYSA-N 1 0 369.465 2.106 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@H]2CC(=O)N(c3ccccc3OC)C2)CC1 ZINC000106037386 543186437 /nfs/dbraw/zinc/18/64/37/543186437.db2.gz JBFVJPPTXPSYMC-INIZCTEOSA-N 1 0 371.481 2.205 20 30 FEEDRO CN(C(=O)C[N@H+](C)C[C@@H]1CCCN1c1cccnn1)C1(C#N)CCCCC1 ZINC000106089345 543193727 /nfs/dbraw/zinc/19/37/27/543193727.db2.gz MXEXCISQTYJTDS-KRWDZBQOSA-N 1 0 370.501 2.062 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@H](C(=O)NCCCC)C2)CC1 ZINC000106275640 543221770 /nfs/dbraw/zinc/22/17/70/543221770.db2.gz XQJSCUJSQDBXDJ-KRWDZBQOSA-N 1 0 364.534 2.365 20 30 FEEDRO CC1CC[NH+]([C@@H](CNC(=O)N2CCO[C@H](C#N)C2)c2cccs2)CC1 ZINC000106328501 543223592 /nfs/dbraw/zinc/22/35/92/543223592.db2.gz SDCDMJRSLCLGNC-CVEARBPZSA-N 1 0 362.499 2.455 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cccc(NC(C)=O)c2C)CC1 ZINC000106349323 543224692 /nfs/dbraw/zinc/22/46/92/543224692.db2.gz WGSIRADBYXUIPK-UHFFFAOYSA-N 1 0 372.469 2.049 20 30 FEEDRO COc1ccc([C@H](CNC(=O)C2(C#N)CCOCC2)[NH+]2CCCC2)cc1 ZINC000109138190 543315617 /nfs/dbraw/zinc/31/56/17/543315617.db2.gz BLMUNRJHLPORJA-SFHVURJKSA-N 1 0 357.454 2.269 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@H]1CCc2nc(C)nn2C1 ZINC000112549183 543451244 /nfs/dbraw/zinc/45/12/44/543451244.db2.gz QHZLXOHMVGCEMQ-ZFWWWQNUSA-N 1 0 359.499 2.156 20 30 FEEDRO C[C@H]([NH2+]C1(CNC(=O)C2(C#N)CCOCC2)CCOCC1)c1ccccc1 ZINC000113236552 543479125 /nfs/dbraw/zinc/47/91/25/543479125.db2.gz LDRPOUZMHIYSMC-KRWDZBQOSA-N 1 0 371.481 2.323 20 30 FEEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1CC[C@H](C[NH+](C)C)C1 ZINC000114479560 543519951 /nfs/dbraw/zinc/51/99/51/543519951.db2.gz PTPZKVURBXKDDB-DLBZAZTESA-N 1 0 358.486 2.214 20 30 FEEDRO CN1CC[N@H+](CCCNC(=O)c2ccc(C#N)nc2)[C@H](c2ccccc2)C1 ZINC000115330757 543559988 /nfs/dbraw/zinc/55/99/88/543559988.db2.gz DKGUEEUTOWDDGJ-FQEVSTJZSA-N 1 0 363.465 2.062 20 30 FEEDRO CC1CCC([NH+]2CCN(C[C@H](O)COc3ccc(C#N)cc3)CC2)CC1 ZINC000115567318 543575029 /nfs/dbraw/zinc/57/50/29/543575029.db2.gz QKXRXYPYRSKKBT-UUKMXZOPSA-N 1 0 357.498 2.494 20 30 FEEDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)Nc1ccccc1SCCC#N ZINC000119298625 543666002 /nfs/dbraw/zinc/66/60/02/543666002.db2.gz KTRXHHYOBXTAGY-ZBFHGGJFSA-N 1 0 374.510 2.429 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCN(c2ncccn2)CC1)C(C)C ZINC000119709832 543671542 /nfs/dbraw/zinc/67/15/42/543671542.db2.gz ACXLFQWTFQMFLN-GOSISDBHSA-N 1 0 372.517 2.007 20 30 FEEDRO C=C(C)COc1cc(C[NH2+]C[C@@H]2CCN(S(C)(=O)=O)C2)ccc1OC ZINC000119901258 543673049 /nfs/dbraw/zinc/67/30/49/543673049.db2.gz SFJGVURKTTVXNQ-INIZCTEOSA-N 1 0 368.499 2.021 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000122142619 543703956 /nfs/dbraw/zinc/70/39/56/543703956.db2.gz HYYYSLRTGWCHSN-UHFFFAOYSA-N 1 0 354.813 2.112 20 30 FEEDRO N#Cc1ccc2ncc(C[NH2+]C[C@@H]3CN(Cc4ccccc4)CCO3)n2c1 ZINC000123175963 543746822 /nfs/dbraw/zinc/74/68/22/543746822.db2.gz SDMAIUCPMSAIOG-HXUWFJFHSA-N 1 0 361.449 2.197 20 30 FEEDRO N#Cc1ccc(C(F)(F)F)c(N2CCN(C(=O)C[NH+]3CCCC3)CC2)c1 ZINC000123729427 543779833 /nfs/dbraw/zinc/77/98/33/543779833.db2.gz WETSKIRPOBXAQI-UHFFFAOYSA-N 1 0 366.387 2.321 20 30 FEEDRO Cc1ccc(C(=O)NCC[NH2+]Cc2cnc3ccc(C#N)cn23)cc1F ZINC000123264762 543751352 /nfs/dbraw/zinc/75/13/52/543751352.db2.gz IEPDFGCULWUVAH-UHFFFAOYSA-N 1 0 351.385 2.173 20 30 FEEDRO CN(CC(=O)N(CCC#N)c1ccccc1)CC(C)(C)C[NH+]1CCOCC1 ZINC000124069011 543799434 /nfs/dbraw/zinc/79/94/34/543799434.db2.gz RWSPMLABZOXVEB-UHFFFAOYSA-N 1 0 372.513 2.223 20 30 FEEDRO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+](C)CC(C)(C)CN1CCOCC1 ZINC000124202449 543806670 /nfs/dbraw/zinc/80/66/70/543806670.db2.gz WFXRMGGAUMJPOY-KRWDZBQOSA-N 1 0 364.534 2.008 20 30 FEEDRO N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCC[NH2+]C1CCCCCC1 ZINC000124673323 543835930 /nfs/dbraw/zinc/83/59/30/543835930.db2.gz DGHKHFWFLYKRMC-UHFFFAOYSA-N 1 0 366.443 2.057 20 30 FEEDRO CN1CC[NH+]([C@@H]2CCCCN(C(=O)Nc3ccc(CC#N)cc3)C2)CC1 ZINC000125419836 543880473 /nfs/dbraw/zinc/88/04/73/543880473.db2.gz NUAOTUSFOMNGDW-LJQANCHMSA-N 1 0 355.486 2.386 20 30 FEEDRO N#Cc1cc(C(F)(F)F)ccc1NCCCC[NH+]1CCN(CCO)CC1 ZINC000126553559 543943545 /nfs/dbraw/zinc/94/35/45/543943545.db2.gz BXTPKRXJLAPDQQ-UHFFFAOYSA-N 1 0 370.419 2.379 20 30 FEEDRO Cc1ncsc1C(=O)NC1CC[NH+](C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000127336196 543986886 /nfs/dbraw/zinc/98/68/86/543986886.db2.gz QMGHSNJSVDDQED-KRWDZBQOSA-N 1 0 370.478 2.251 20 30 FEEDRO C[NH+](C)CCN(Cc1ccccc1F)C(=O)C(=O)Nc1ccc(C#N)cc1 ZINC000128606262 544062172 /nfs/dbraw/zinc/06/21/72/544062172.db2.gz PCJXJLFLNUSRFV-UHFFFAOYSA-N 1 0 368.412 2.226 20 30 FEEDRO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCCN(CC(=O)N3CCCC3)CC2)cc1 ZINC000129290011 544103813 /nfs/dbraw/zinc/10/38/13/544103813.db2.gz GEHQIMGXCBUMGX-SFHVURJKSA-N 1 0 370.497 2.108 20 30 FEEDRO Cc1ccc(N(CCC#N)C(=O)C[NH2+][C@@H]2CCCC[C@@H]2C(N)=O)cc1C ZINC000131152192 544178774 /nfs/dbraw/zinc/17/87/74/544178774.db2.gz OFJHNTGOHXRBLO-ZWKOTPCHSA-N 1 0 356.470 2.184 20 30 FEEDRO N#CCCN(C(=O)C[NH2+][C@H]1CCCC[C@@H]1C(N)=O)c1cccc(Cl)c1 ZINC000131166693 544179195 /nfs/dbraw/zinc/17/91/95/544179195.db2.gz MAXWHDSRQWULPR-HOTGVXAUSA-N 1 0 362.861 2.220 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(-c3csc(C)n3)c[nH]2)c1C#N ZINC000133377538 544267065 /nfs/dbraw/zinc/26/70/65/544267065.db2.gz PGWIVIZQWVRDEW-UHFFFAOYSA-N 1 0 369.454 2.446 20 30 FEEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000133924421 544288001 /nfs/dbraw/zinc/28/80/01/544288001.db2.gz UZRUMRRWKMUXTC-INIZCTEOSA-N 1 0 372.469 2.084 20 30 FEEDRO C=CCc1ccccc1OC[C@H](O)C[NH+]1CCC(N2CCCNC2=O)CC1 ZINC000135433295 544346574 /nfs/dbraw/zinc/34/65/74/544346574.db2.gz HLYJQHXNPCGUOQ-LJQANCHMSA-N 1 0 373.497 2.035 20 30 FEEDRO N#Cc1ccc(NC(=O)C(=O)NCCCCC[NH+]2CCCCC2)c(F)c1 ZINC000136250327 544369948 /nfs/dbraw/zinc/36/99/48/544369948.db2.gz WBQJKXIHHGMDJI-UHFFFAOYSA-N 1 0 360.433 2.408 20 30 FEEDRO N#Cc1ccc(CNC(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000137131583 544385259 /nfs/dbraw/zinc/38/52/59/544385259.db2.gz LATQZXGNYZXCAN-MOPGFXCFSA-N 1 0 356.470 2.125 20 30 FEEDRO Cc1c([N+](=O)[O-])cc(C(=O)N(CCC#N)CCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000137044261 544383652 /nfs/dbraw/zinc/38/36/52/544383652.db2.gz VXIIZNIDRIJSRB-UHFFFAOYSA-N 1 0 363.374 2.119 20 30 FEEDRO N#Cc1ccccc1NC(=O)CCCC(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000151603899 544561367 /nfs/dbraw/zinc/56/13/67/544561367.db2.gz UVFDFISGIGMJTP-KRWDZBQOSA-N 1 0 354.454 2.268 20 30 FEEDRO C[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccccc2SCCC#N)C[N@@H+]1C1CC1 ZINC000151867091 544590308 /nfs/dbraw/zinc/59/03/08/544590308.db2.gz WSKNANWDTFBUAX-UONOGXRCSA-N 1 0 372.494 2.372 20 30 FEEDRO CNC(=O)CC1CCN(C(NCc2nc(-c3ccccc3)c[nH]2)=[NH+]C)CC1 ZINC000153045377 544727518 /nfs/dbraw/zinc/72/75/18/544727518.db2.gz JKVDFZFPOOIPNX-UHFFFAOYSA-N 1 0 368.485 2.000 20 30 FEEDRO CC(C)N(Cc1ccccc1)C(=O)C[N@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000153262678 544754082 /nfs/dbraw/zinc/75/40/82/544754082.db2.gz JRLLSCGIKSZYRU-UHFFFAOYSA-N 1 0 368.485 2.165 20 30 FEEDRO C[C@@H](C(=O)Nc1ccccc1Cl)[N@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000153319440 544759992 /nfs/dbraw/zinc/75/99/92/544759992.db2.gz IZELRYZERHDTKX-NSHDSACASA-N 1 0 360.849 2.409 20 30 FEEDRO C[C@H](O)C[C@H]1CCC[N@@H+]1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000153162290 544741375 /nfs/dbraw/zinc/74/13/75/544741375.db2.gz WYXOMQLPXNFCQI-WMLDXEAASA-N 1 0 368.399 2.408 20 30 FEEDRO Cc1cc(C#N)ccc1C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000154362983 544896642 /nfs/dbraw/zinc/89/66/42/544896642.db2.gz CNALLNXHIFKWBB-DFNIBXOVSA-N 1 0 352.482 2.250 20 30 FEEDRO C=CCSCCNC(=O)C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000803144279 674224766 /nfs/dbraw/zinc/22/47/66/674224766.db2.gz IURHSQNLZRCDEQ-UHFFFAOYSA-N 1 0 367.559 2.183 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(C)[C@H]2CC[C@@H](SCC)C2)CC1 ZINC000553397635 674257787 /nfs/dbraw/zinc/25/77/87/674257787.db2.gz VWIDLHATOGHYNH-DLBZAZTESA-N 1 0 367.559 2.276 20 30 FEEDRO C[C@@H]1C[NH+](Cc2ccc(CNC(=O)c3c[nH]c(C#N)c3)cc2)C[C@@H](C)O1 ZINC000181204887 327720552 /nfs/dbraw/zinc/72/05/52/327720552.db2.gz AHADTHMYXIUKJL-HUUCEWRRSA-N 1 0 352.438 2.426 20 30 FEEDRO C[C@@H]([NH2+]CC1CCN(S(=O)(=O)C(F)F)CC1)c1cccc(C#N)c1 ZINC000181953620 327754366 /nfs/dbraw/zinc/75/43/66/327754366.db2.gz VUNBPUIOBPKQBI-GFCCVEGCSA-N 1 0 357.426 2.473 20 30 FEEDRO C[S@](=O)C[C@@H]([NH2+]C[C@H](O)COc1ccc(C#N)cc1)c1ccccc1 ZINC000183122206 327802611 /nfs/dbraw/zinc/80/26/11/327802611.db2.gz UKELCVKGBXPLFW-MVIPISOYSA-N 1 0 358.463 2.007 20 30 FEEDRO C[C@H](CNS(=O)(=O)c1cccc(Br)c1C#N)[NH+]1CCCC1 ZINC000553787309 674285753 /nfs/dbraw/zinc/28/57/53/674285753.db2.gz MJYFJPDFIAKEQW-LLVKDONJSA-N 1 0 372.288 2.083 20 30 FEEDRO COc1cc(C#N)ccc1S(=O)(=O)N[C@H](C)C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000185838465 327935357 /nfs/dbraw/zinc/93/53/57/327935357.db2.gz JNRWAISVCCKVAE-SOUVJXGZSA-N 1 0 365.499 2.212 20 30 FEEDRO C[C@H](c1cccc(C#N)c1)[NH+]1CCC(CC(=O)N2CCN(C)CC2)CC1 ZINC000187678927 328039309 /nfs/dbraw/zinc/03/93/09/328039309.db2.gz NXOYRQOVKIHPEC-QGZVFWFLSA-N 1 0 354.498 2.495 20 30 FEEDRO C[C@@H](c1cccc(C#N)c1)[NH+]1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 ZINC000188375450 328083337 /nfs/dbraw/zinc/08/33/37/328083337.db2.gz HJQLVVOVCWSUCJ-HNNXBMFYSA-N 1 0 368.481 2.055 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCC[C@H]1CCO ZINC000188422274 328086288 /nfs/dbraw/zinc/08/62/88/328086288.db2.gz DZHCBOYZZFKZDI-RBUKOAKNSA-N 1 0 358.486 2.183 20 30 FEEDRO N#Cc1cccnc1-n1cc(NC(=O)N2CCC([NH+]3CC=CC3)CC2)cn1 ZINC000188811564 328111926 /nfs/dbraw/zinc/11/19/26/328111926.db2.gz PVXGUVCCHKHFKU-UHFFFAOYSA-N 1 0 363.425 2.007 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)Nc1ccc(C#N)cc1 ZINC000189313245 328140429 /nfs/dbraw/zinc/14/04/29/328140429.db2.gz QAGLVNKTUOILKN-UHFFFAOYSA-N 1 0 368.412 2.226 20 30 FEEDRO C[C@H]([NH2+][C@H]1CCCC[C@@H]1C(N)=O)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000189492999 328151416 /nfs/dbraw/zinc/15/14/16/328151416.db2.gz WOKJUIIQLMDBKG-JKOKRWQUSA-N 1 0 360.483 2.069 20 30 FEEDRO CCO[C@@H]1C[C@](CO)([NH2+]CC(=O)Nc2ccc(C#N)c(Cl)c2)C1(C)C ZINC000189957987 328178737 /nfs/dbraw/zinc/17/87/37/328178737.db2.gz RNRFMXDAEQVPAQ-CRAIPNDOSA-N 1 0 365.861 2.306 20 30 FEEDRO Cn1cc(C[NH2+]C[C@@H](O)COc2cccc(C(F)(F)F)c2)cc1C#N ZINC000190869833 328237373 /nfs/dbraw/zinc/23/73/73/328237373.db2.gz JSTMUWPVQURIQG-OAHLLOKOSA-N 1 0 353.344 2.445 20 30 FEEDRO Cn1cc(CN2CCN(CC[N@H+](C)Cc3ccccc3)CC2)cc1C#N ZINC000191327457 328260437 /nfs/dbraw/zinc/26/04/37/328260437.db2.gz YSMKDOZELIUGQG-UHFFFAOYSA-N 1 0 351.498 2.146 20 30 FEEDRO COC[C@H](Cc1ccccc1)[N@H+](C)C[C@H](O)COc1ccc(C#N)cc1 ZINC000191501059 328268764 /nfs/dbraw/zinc/26/87/64/328268764.db2.gz XFSKWVRVFJUTDK-PMACEKPBSA-N 1 0 354.450 2.487 20 30 FEEDRO Cc1nc(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)ccc1C#N ZINC000192220140 328307476 /nfs/dbraw/zinc/30/74/76/328307476.db2.gz LSPLPZAAQDZMKN-IBGZPJMESA-N 1 0 364.449 2.283 20 30 FEEDRO N#Cc1ccc(N2CCC[C@@H](N(CC(N)=O)Cc3ccccc3)C2=O)cc1 ZINC000192587750 328327310 /nfs/dbraw/zinc/32/73/10/328327310.db2.gz OFGZAFNNNKPSCV-LJQANCHMSA-N 1 0 362.433 2.041 20 30 FEEDRO CN1CC[N@H+](CCCNC(=O)c2ccnc(C#N)c2)[C@H](c2ccccc2)C1 ZINC000192637594 328330092 /nfs/dbraw/zinc/33/00/92/328330092.db2.gz BQJFMRJHKJHWSY-FQEVSTJZSA-N 1 0 363.465 2.062 20 30 FEEDRO Cc1nc(C#N)c(N2CCC(C(=O)NC[C@@H](CC(C)C)[NH+](C)C)CC2)o1 ZINC000193249096 328364944 /nfs/dbraw/zinc/36/49/44/328364944.db2.gz CNGTWPHLIMWRMV-MRXNPFEDSA-N 1 0 361.490 2.164 20 30 FEEDRO CC1(CNS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)CC[NH2+]CC1 ZINC000193373952 328371228 /nfs/dbraw/zinc/37/12/28/328371228.db2.gz AYMUDVSASZIZQE-UHFFFAOYSA-N 1 0 361.389 2.245 20 30 FEEDRO COc1ccc(NC(=O)CC[NH+]2CCN(c3ccc(C#N)cn3)CC2)cc1 ZINC000193766094 328393796 /nfs/dbraw/zinc/39/37/96/328393796.db2.gz SGGXCSMPWBKYRZ-UHFFFAOYSA-N 1 0 365.437 2.113 20 30 FEEDRO COc1cc(CNC(=O)c2ccc(C#N)c(C)n2)ccc1OCC[NH+](C)C ZINC000194856939 328443938 /nfs/dbraw/zinc/44/39/38/328443938.db2.gz HTZMZSUFYUDCEY-UHFFFAOYSA-N 1 0 368.437 2.141 20 30 FEEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+]2CCC[C@H](O)C2)c1C#N ZINC000078390777 325044764 /nfs/dbraw/zinc/04/47/64/325044764.db2.gz SARGDQIBEVPWOG-INIZCTEOSA-N 1 0 370.453 2.403 20 30 FEEDRO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000081035547 325156067 /nfs/dbraw/zinc/15/60/67/325156067.db2.gz FLKJISCPPRDEOI-HXUWFJFHSA-N 1 0 371.481 2.285 20 30 FEEDRO C[NH+](C)[C@H]1CCCN(S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)C1 ZINC000083537929 325218340 /nfs/dbraw/zinc/21/83/40/325218340.db2.gz DCBCCNVIVZLDNV-LBPRGKRZSA-N 1 0 361.389 2.292 20 30 FEEDRO C[C@H](CNC(=O)C(=O)Nc1cc(C#N)ccc1Cl)C[NH+]1CCCCC1 ZINC000088771233 325300655 /nfs/dbraw/zinc/30/06/55/325300655.db2.gz UGGJOESPODQBRK-CYBMUJFWSA-N 1 0 362.861 2.388 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2nc(C(C)C)ncc2Cl)c1C#N ZINC000089675504 325326554 /nfs/dbraw/zinc/32/65/54/325326554.db2.gz YSZYWNOSIHUIJY-UHFFFAOYSA-N 1 0 361.837 2.252 20 30 FEEDRO Cn1cc(C#N)cc1C(=O)NCCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000091631213 325389460 /nfs/dbraw/zinc/38/94/60/325389460.db2.gz YJCDBHLWLKQVOM-UHFFFAOYSA-N 1 0 366.465 2.344 20 30 FEEDRO N#Cc1ccccc1N1CCN(C(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000101606026 325474743 /nfs/dbraw/zinc/47/47/43/325474743.db2.gz IBYWVMGCLCOYNY-UHFFFAOYSA-N 1 0 353.470 2.017 20 30 FEEDRO COc1cc[nH+]c(N2CCN(C(=O)[C@H](C)Oc3ccc(C#N)cc3)CC2)c1 ZINC000104516483 325540199 /nfs/dbraw/zinc/54/01/99/325540199.db2.gz WFBSJOUZKYEIRM-HNNXBMFYSA-N 1 0 366.421 2.078 20 30 FEEDRO CC(C)[C@H](Oc1ccccc1C#N)C(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000116447806 326015646 /nfs/dbraw/zinc/01/56/46/326015646.db2.gz URIUVWJAOKSSJR-QUCCMNQESA-N 1 0 373.497 2.171 20 30 FEEDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1cc(C#N)ccc1OC(C)C ZINC000118126795 326084021 /nfs/dbraw/zinc/08/40/21/326084021.db2.gz KESGVHGDAQKXFH-INIZCTEOSA-N 1 0 372.469 2.275 20 30 FEEDRO C[C@@H](c1ccc(C#N)cc1)[NH+]1CCC(CC(=O)N2CCN(C)CC2)CC1 ZINC000118399211 326090448 /nfs/dbraw/zinc/09/04/48/326090448.db2.gz JPANMOKPHUSOEB-KRWDZBQOSA-N 1 0 354.498 2.495 20 30 FEEDRO CC(C)Oc1ccc(NC(=O)C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)cc1C#N ZINC000119168549 326133625 /nfs/dbraw/zinc/13/36/25/326133625.db2.gz RNBZTZMJXGYTGJ-WBVHZDCISA-N 1 0 372.469 2.273 20 30 FEEDRO N#Cc1c(NC(=O)CC[N@@H+]2CCC[C@H]2C(=O)NC2CC2)sc2c1CCC2 ZINC000121370495 326333065 /nfs/dbraw/zinc/33/30/65/326333065.db2.gz VXOCQOHOLBGQHW-HNNXBMFYSA-N 1 0 372.494 2.180 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@H](C)Oc2ccccc2Cl)c1C#N ZINC000128126998 326518402 /nfs/dbraw/zinc/51/84/02/326518402.db2.gz VHXWNOBFPSDYFG-NSHDSACASA-N 1 0 361.833 2.493 20 30 FEEDRO CCC[NH+]1CCC(CNC(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000129192704 326536054 /nfs/dbraw/zinc/53/60/54/326536054.db2.gz IZSAFOQPXODFOT-UHFFFAOYSA-N 1 0 362.861 2.388 20 30 FEEDRO CCO[C@@H]1C[C@@H](O)C12CC[NH+](CCC(=O)Nc1cccc(C#N)c1)CC2 ZINC000152706385 326714479 /nfs/dbraw/zinc/71/44/79/326714479.db2.gz PSAWJNZDMXQRFU-QZTJIDSGSA-N 1 0 357.454 2.139 20 30 FEEDRO C[NH+](C)Cc1cccc(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)c1 ZINC000156412185 326830320 /nfs/dbraw/zinc/83/03/20/326830320.db2.gz UXPYNIPTUWYYDL-UHFFFAOYSA-N 1 0 374.422 2.007 20 30 FEEDRO C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000158350354 326893031 /nfs/dbraw/zinc/89/30/31/326893031.db2.gz IKDBPARPQFFWAG-PXNSSMCTSA-N 1 0 371.481 2.429 20 30 FEEDRO N#Cc1cccc(OCCCCC(=O)NC[C@@H](O)C[NH+]2CCCCC2)c1 ZINC000160540572 326969106 /nfs/dbraw/zinc/96/91/06/326969106.db2.gz VHNVZHBKLPOECR-GOSISDBHSA-N 1 0 359.470 2.070 20 30 FEEDRO N#Cc1ccc(NC(=O)C[NH2+][C@H](CN2CCOCC2)c2ccccc2)cc1 ZINC000170767161 327098048 /nfs/dbraw/zinc/09/80/48/327098048.db2.gz YTCMGKDKAJKJEB-HXUWFJFHSA-N 1 0 364.449 2.160 20 30 FEEDRO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)/C=C/c2ccccc2C#N)CC1 ZINC000170953413 327109726 /nfs/dbraw/zinc/10/97/26/327109726.db2.gz MJPXRRXBTINIMK-XTXLJPNXSA-N 1 0 352.482 2.200 20 30 FEEDRO C[NH+]1CCN(c2ncccc2CNC(=O)Nc2ccc(F)c(C#N)c2)CC1 ZINC000171086443 327116687 /nfs/dbraw/zinc/11/66/87/327116687.db2.gz QKPFQQLLSGAQFA-UHFFFAOYSA-N 1 0 368.416 2.166 20 30 FEEDRO Cc1ccc([C@H](CNS(=O)(=O)c2ccc(C#N)nc2)[NH+]2CCCC2)cc1 ZINC000171093549 327117352 /nfs/dbraw/zinc/11/73/52/327117352.db2.gz WDGYYXCBDAFURK-IBGZPJMESA-N 1 0 370.478 2.377 20 30 FEEDRO Cc1ccc([C@H](CNC(=O)CNC(=O)c2ccc(C#N)cc2)[NH+](C)C)cc1 ZINC000171117272 327119406 /nfs/dbraw/zinc/11/94/06/327119406.db2.gz YDLJJEYIUZIMOF-IBGZPJMESA-N 1 0 364.449 2.016 20 30 FEEDRO CC(C)[C@H](C(=O)N1CCN(c2ccc(C#N)cn2)CC1)[NH+]1CCCCC1 ZINC000171458786 327140908 /nfs/dbraw/zinc/14/09/08/327140908.db2.gz XIAMOWCMPVLVEH-LJQANCHMSA-N 1 0 355.486 2.112 20 30 FEEDRO CC(C)[NH2+]C1CCN(CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CC1 ZINC000171693035 327155446 /nfs/dbraw/zinc/15/54/46/327155446.db2.gz SSUDGFFWWNPBSF-UHFFFAOYSA-N 1 0 366.469 2.145 20 30 FEEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000172419304 327200985 /nfs/dbraw/zinc/20/09/85/327200985.db2.gz FIZCTKXTCNOHNB-UHFFFAOYSA-N 1 0 370.497 2.273 20 30 FEEDRO C[C@H](NC(=O)c1ccc(-n2ncc(C#N)c2N)cc1)C(C)(C)C[NH+](C)C ZINC000173055940 327232833 /nfs/dbraw/zinc/23/28/33/327232833.db2.gz RDSUXIVZTSMLKC-ZDUSSCGKSA-N 1 0 354.458 2.032 20 30 FEEDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)C1 ZINC000173597447 327269728 /nfs/dbraw/zinc/26/97/28/327269728.db2.gz RWQZCWYERCTBMX-HNNXBMFYSA-N 1 0 366.469 2.130 20 30 FEEDRO COc1cc(C#N)ccc1OCC[N@@H+]1CCCN(c2nc(C)ns2)CC1 ZINC000174165895 327309841 /nfs/dbraw/zinc/30/98/41/327309841.db2.gz HVQMOZVKWKRMCP-UHFFFAOYSA-N 1 0 373.482 2.318 20 30 FEEDRO CO[C@H](C)c1noc(CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000175022956 327368887 /nfs/dbraw/zinc/36/88/87/327368887.db2.gz YISFJINUNHMBHZ-OAHLLOKOSA-N 1 0 355.442 2.357 20 30 FEEDRO N#Cc1ccc(C[NH2+]CC2CCN(S(=O)(=O)C(F)(F)F)CC2)s1 ZINC000176968499 327487863 /nfs/dbraw/zinc/48/78/63/327487863.db2.gz WATRKVQPNRRBOY-UHFFFAOYSA-N 1 0 367.418 2.271 20 30 FEEDRO CCCN([C@H]1CC[NH2+]C1)S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000262058103 328838872 /nfs/dbraw/zinc/83/88/72/328838872.db2.gz NPZFFGLEKGMKBD-LBPRGKRZSA-N 1 0 361.389 2.340 20 30 FEEDRO C[C@H](CNC(=O)OC(C)(C)C)[N@H+](C)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000264746130 329056171 /nfs/dbraw/zinc/05/61/71/329056171.db2.gz UCLIWLQFJKKDNC-GDBMZVCRSA-N 1 0 363.458 2.143 20 30 FEEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@H+](C)[C@@H]3CCN(C)C3=O)sc2C1 ZINC000265677711 329149294 /nfs/dbraw/zinc/14/92/94/329149294.db2.gz ZTKUSZOCMQCTSM-SWLSCSKDSA-N 1 0 374.510 2.236 20 30 FEEDRO C[NH+](C)C1(CNS(=O)(=O)Cc2cccc(C#N)c2)Cc2ccccc2C1 ZINC000266220274 329201753 /nfs/dbraw/zinc/20/17/53/329201753.db2.gz RYPLKZUZOPPKGX-UHFFFAOYSA-N 1 0 369.490 2.077 20 30 FEEDRO COc1ccnc(NC2CC[NH+](Cc3ccc(C#N)c(OC)c3)CC2)n1 ZINC000367038368 330209953 /nfs/dbraw/zinc/20/99/53/330209953.db2.gz YMXHASWWSVEWJJ-UHFFFAOYSA-N 1 0 353.426 2.442 20 30 FEEDRO CCC[N@H+](CC)CCNC(=O)[C@@H]1CCCN(c2nc(C)ccc2C#N)C1 ZINC000377929928 330252217 /nfs/dbraw/zinc/25/22/17/330252217.db2.gz AZNBBFNGENLDPY-GOSISDBHSA-N 1 0 357.502 2.326 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+]CCc2c[nH]c3ccccc23)nc1 ZINC000554785915 674336509 /nfs/dbraw/zinc/33/65/09/674336509.db2.gz UKWJYEKCKZUSLY-UHFFFAOYSA-N 1 0 354.435 2.041 20 30 FEEDRO C[N@H+](CC(=O)N1CCCN(c2ccccc2C#N)CC1)[C@@H]1CCSC1 ZINC000155526652 545537683 /nfs/dbraw/zinc/53/76/83/545537683.db2.gz CKEFWFMLOOCFFI-QGZVFWFLSA-N 1 0 358.511 2.034 20 30 FEEDRO N#Cc1cc(Cl)ccc1S(=O)(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000156571792 545636495 /nfs/dbraw/zinc/63/64/95/545636495.db2.gz MJWYGFLHZMOXFE-UHFFFAOYSA-N 1 0 353.875 2.461 20 30 FEEDRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)Nc1cccc(C#Cc2ccccc2)c1 ZINC000477656976 561150540 /nfs/dbraw/zinc/15/05/40/561150540.db2.gz BXNSRKYNANPRTE-NRFANRHFSA-N 1 0 362.477 2.454 20 30 FEEDRO C=CCOc1c(Br)cc(CN2CCO[C@@H](C[NH3+])C2)cc1OC ZINC000478052058 561159146 /nfs/dbraw/zinc/15/91/46/561159146.db2.gz FOJIPKCQLMSRQU-ZDUSSCGKSA-N 1 0 371.275 2.182 20 30 FEEDRO Cn1cnc2cc(C(=O)N(CC[NH+](C)C)Cc3ccc(C#N)cc3)cnc21 ZINC000159703199 545974448 /nfs/dbraw/zinc/97/44/48/545974448.db2.gz WEKWQKJWNKEXQI-UHFFFAOYSA-N 1 0 362.437 2.044 20 30 FEEDRO C[NH+]=C(NCC(=O)Nc1cccc(F)c1)N1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000160117300 546009004 /nfs/dbraw/zinc/00/90/04/546009004.db2.gz MJHCIKXUTBXNIU-PBHICJAKSA-N 1 0 372.448 2.119 20 30 FEEDRO C=C(C)COCCNC(=O)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000161296365 546118367 /nfs/dbraw/zinc/11/83/67/546118367.db2.gz PQTJNLOKZMFQRK-UHFFFAOYSA-N 1 0 359.470 2.320 20 30 FEEDRO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CCC[C@H](CCC(N)=O)C1 ZINC000170734056 546173843 /nfs/dbraw/zinc/17/38/43/546173843.db2.gz DDGWHXSZJNMGQQ-ZEVUXNIQSA-N 1 0 362.518 2.283 20 30 FEEDRO CC(C)(C#N)c1ccc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000171100346 546190075 /nfs/dbraw/zinc/19/00/75/546190075.db2.gz IORNWYWBMGERHP-QGZVFWFLSA-N 1 0 354.454 2.123 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)NCCc2ccc3c(c2)OCCO3)CC1 ZINC000171551442 546214214 /nfs/dbraw/zinc/21/42/14/546214214.db2.gz XVJNDCZSIVROPP-UHFFFAOYSA-N 1 0 359.470 2.340 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)CNC(=O)CC23CC4CC(CC(C4)C2)C3)CC1 ZINC000171566385 546214701 /nfs/dbraw/zinc/21/47/01/546214701.db2.gz KNBHDUWVNSHRNV-UHFFFAOYSA-N 1 0 373.541 2.476 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(NC(=O)CC)cc2)CC1 ZINC000171621129 546216358 /nfs/dbraw/zinc/21/63/58/546216358.db2.gz HQMGVFGJSXFIFF-UHFFFAOYSA-N 1 0 372.469 2.130 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)Nc2cccc(NC(=O)[C@@H](C)OC)c2)CC1 ZINC000171636932 546217926 /nfs/dbraw/zinc/21/79/26/546217926.db2.gz HEARJASUSBRFOB-CQSZACIVSA-N 1 0 360.458 2.432 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)CCCNC(=O)c2ccc(F)cc2F)CC1 ZINC000171723902 546222254 /nfs/dbraw/zinc/22/22/54/546222254.db2.gz ZEBSLIQEPIROJZ-UHFFFAOYSA-N 1 0 365.424 2.241 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N2CCC[C@H](C(=O)N[C@@H](C)CCC)C2)CC1 ZINC000171738606 546223001 /nfs/dbraw/zinc/22/30/01/546223001.db2.gz SPGYUDNQXMWGJU-IRXDYDNUSA-N 1 0 364.534 2.363 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N2CCCN(Cc3cscn3)CC2)CC1 ZINC000171741946 546223015 /nfs/dbraw/zinc/22/30/15/546223015.db2.gz ZAYRSMRMSONHBO-UHFFFAOYSA-N 1 0 363.531 2.011 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccc(NS(=O)(=O)CC)cc2)CC1 ZINC000171740973 546223620 /nfs/dbraw/zinc/22/36/20/546223620.db2.gz TZFKZMNBMLAGAU-UHFFFAOYSA-N 1 0 366.487 2.220 20 30 FEEDRO N#CCCn1cc(C[NH2+]CCCN2CCOC2=O)c(-c2ccccc2)n1 ZINC000172118462 546236446 /nfs/dbraw/zinc/23/64/46/546236446.db2.gz PSOOFKCVJSAHCH-UHFFFAOYSA-N 1 0 353.426 2.396 20 30 FEEDRO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000173737156 546285572 /nfs/dbraw/zinc/28/55/72/546285572.db2.gz NDDBCTJFSKVDER-MDZRGWNJSA-N 1 0 358.461 2.407 20 30 FEEDRO CN(C)C(=O)COc1ccccc1C[NH2+]CCOc1ccc(C#N)cc1 ZINC000174559398 546299394 /nfs/dbraw/zinc/29/93/94/546299394.db2.gz OCMRKXCIYUDFHB-UHFFFAOYSA-N 1 0 353.422 2.194 20 30 FEEDRO C=CCNC(=O)NC(=O)CN(CCC)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000479688799 561194995 /nfs/dbraw/zinc/19/49/95/561194995.db2.gz JIRUJQHDWIFWRA-IBGZPJMESA-N 1 0 372.513 2.375 20 30 FEEDRO N#Cc1cc(F)ccc1NC(=O)C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000175981079 546384048 /nfs/dbraw/zinc/38/40/48/546384048.db2.gz JRDMNGONNBPEEF-INIZCTEOSA-N 1 0 358.417 2.113 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)CNC(=O)c2ccccc2C(F)(F)F)CC1 ZINC000176301691 546429202 /nfs/dbraw/zinc/42/92/02/546429202.db2.gz YIDXJUYVRZNYMK-UHFFFAOYSA-N 1 0 369.387 2.202 20 30 FEEDRO CCOc1ccc(OCCN2CCN(c3nccnc3C#N)C[C@@H]2C)cc1 ZINC000176365691 546436670 /nfs/dbraw/zinc/43/66/70/546436670.db2.gz HAPLKGWPROUJSZ-INIZCTEOSA-N 1 0 367.453 2.336 20 30 FEEDRO C=C(C)COc1cc(C[NH2+][C@H](CC)C(=O)N2CCOCC2)ccc1OC ZINC000176805141 546491223 /nfs/dbraw/zinc/49/12/23/546491223.db2.gz LTTVBVDJRQOPEU-QGZVFWFLSA-N 1 0 362.470 2.377 20 30 FEEDRO CC[NH+](CC)C[C@@H](C)NS(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000480688435 561214335 /nfs/dbraw/zinc/21/43/35/561214335.db2.gz ICZZUUGQCRIKKC-LLVKDONJSA-N 1 0 374.304 2.329 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2CCN(CC3CC3)CC2)cc1C(F)(F)F ZINC000177630424 546656774 /nfs/dbraw/zinc/65/67/74/546656774.db2.gz JHPPKPRUPCQTQU-UHFFFAOYSA-N 1 0 373.400 2.293 20 30 FEEDRO Cc1c(C#N)cccc1NC(=O)C(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000178417103 546791160 /nfs/dbraw/zinc/79/11/60/546791160.db2.gz GYXKGTOAVZPQQY-GOSISDBHSA-N 1 0 356.470 2.432 20 30 FEEDRO C[N@H+](Cc1ccccc1CNC(=O)Cn1cnc(C#N)n1)C1CCCCC1 ZINC000178450418 546795462 /nfs/dbraw/zinc/79/54/62/546795462.db2.gz UUHSKIBEZGOELW-UHFFFAOYSA-N 1 0 366.469 2.231 20 30 FEEDRO Cc1c(C#N)cccc1NC(=O)C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000178497302 546803809 /nfs/dbraw/zinc/80/38/09/546803809.db2.gz SUOOPSMGPHUZFU-MRXNPFEDSA-N 1 0 354.454 2.140 20 30 FEEDRO O=C(NCC[NH2+]Cc1ccc(F)cc1C(F)(F)F)C1N=CC=CC1=O ZINC000178900153 546869870 /nfs/dbraw/zinc/86/98/70/546869870.db2.gz PZRFQNQYLPOCCD-PFONDFGASA-N 1 0 357.307 2.461 20 30 FEEDRO CN1CC[NH+]([C@H]2CCCCN(C(=O)/C=C/c3ccccc3C#N)C2)CC1 ZINC000179629863 546989091 /nfs/dbraw/zinc/98/90/91/546989091.db2.gz CSHJMEYVCFZDAZ-XTXLJPNXSA-N 1 0 352.482 2.200 20 30 FEEDRO CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH2+][C@@H](c2ccccc2)C2CC2)CC1 ZINC000179692678 546998825 /nfs/dbraw/zinc/99/88/25/546998825.db2.gz NBIHQRJAXBXWSF-CTNGQTDRSA-N 1 0 354.498 2.420 20 30 FEEDRO C=CCOc1ccc(C[NH+]2CCC(C(=O)N3CCOCC3)CC2)cc1OC ZINC000179690240 546998880 /nfs/dbraw/zinc/99/88/80/546998880.db2.gz RMSDSFCBZXYBSY-UHFFFAOYSA-N 1 0 374.481 2.331 20 30 FEEDRO C=CCNC(=O)CNC(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000180306840 547082498 /nfs/dbraw/zinc/08/24/98/547082498.db2.gz QBOKCPNSADWUTQ-UHFFFAOYSA-N 1 0 358.486 2.020 20 30 FEEDRO N#CC1(NC(=O)c2ccc([N+](=O)[O-])[nH]2)CC[NH+](Cc2ccccc2)CC1 ZINC000482641227 561257373 /nfs/dbraw/zinc/25/73/73/561257373.db2.gz PYHFNIINSRKSHG-UHFFFAOYSA-N 1 0 353.382 2.211 20 30 FEEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 ZINC000180784233 547179421 /nfs/dbraw/zinc/17/94/21/547179421.db2.gz JVHOGWZKQKQFCC-OKZBNKHCSA-N 1 0 359.518 2.472 20 30 FEEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 ZINC000180784194 547179964 /nfs/dbraw/zinc/17/99/64/547179964.db2.gz JVHOGWZKQKQFCC-RCCFBDPRSA-N 1 0 359.518 2.472 20 30 FEEDRO C[C@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1ccccc1OC(F)F ZINC000180868690 547198789 /nfs/dbraw/zinc/19/87/89/547198789.db2.gz ZLKXPTBHWXADDJ-YOJQOHNYSA-N 1 0 351.353 2.465 20 30 FEEDRO C=CCNC(=O)C[NH2+]Cc1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000181132245 547255479 /nfs/dbraw/zinc/25/54/79/547255479.db2.gz RGZNBYGXQQUHHA-UHFFFAOYSA-N 1 0 361.449 2.385 20 30 FEEDRO CC[NH+]1CCN([C@H]2CCN(C(=O)c3ccc(C4(C#N)CC4)cc3)C2)CC1 ZINC000181518609 547327913 /nfs/dbraw/zinc/32/79/13/547327913.db2.gz VNYPAOHZLHBEIO-IBGZPJMESA-N 1 0 352.482 2.094 20 30 FEEDRO C=CCc1ccccc1OC[C@H](O)C[N@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000483369678 561275159 /nfs/dbraw/zinc/27/51/59/561275159.db2.gz DWBWIURBXNSWTN-YFVAEKQCSA-N 1 0 361.482 2.425 20 30 FEEDRO C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@@H](CC)c1cccc(S(N)(=O)=O)c1 ZINC000181747574 547372975 /nfs/dbraw/zinc/37/29/75/547372975.db2.gz DVNRNSOGDDVPTO-YOEHRIQHSA-N 1 0 367.515 2.188 20 30 FEEDRO C=C[C@@H](C)NC(=O)C(=O)Nc1cc(C)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000483913040 561286674 /nfs/dbraw/zinc/28/66/74/561286674.db2.gz KLDFLQLNRHYWBL-MRXNPFEDSA-N 1 0 358.486 2.155 20 30 FEEDRO C[C@H](CCNC(=O)N1CCN(c2ncccc2C#N)CC1)[NH+]1CCCCC1 ZINC000182665328 547530110 /nfs/dbraw/zinc/53/01/10/547530110.db2.gz VLLBKAOOAAOHPG-QGZVFWFLSA-N 1 0 370.501 2.049 20 30 FEEDRO C[N@@H+](CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1)CC1CCC1 ZINC000182777918 547551069 /nfs/dbraw/zinc/55/10/69/547551069.db2.gz CWFCFCGPEQVZRH-LJQANCHMSA-N 1 0 358.461 2.266 20 30 FEEDRO CC[NH+](CC)[C@@H]1CCN(C(=O)Nc2cnn(-c3ncccc3C#N)c2)C1 ZINC000184580747 547849133 /nfs/dbraw/zinc/84/91/33/547849133.db2.gz XJGWJJNJLNSTFB-MRXNPFEDSA-N 1 0 353.430 2.087 20 30 FEEDRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000184598677 547852144 /nfs/dbraw/zinc/85/21/44/547852144.db2.gz GUTFYCKDSRVHAK-QGZVFWFLSA-N 1 0 367.457 2.477 20 30 FEEDRO CC[N@H+](C)C[C@H]1CCN(C(=O)Nc2cc(C#N)ccc2OCCOC)C1 ZINC000184621968 547855459 /nfs/dbraw/zinc/85/54/59/547855459.db2.gz ZMCZFVSRMVSQGL-MRXNPFEDSA-N 1 0 360.458 2.389 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)NCc2nc3cc(OC)ccc3n2C)CC1 ZINC000185734479 548027279 /nfs/dbraw/zinc/02/72/79/548027279.db2.gz CGPPQLJSMJZVCN-UHFFFAOYSA-N 1 0 357.458 2.032 20 30 FEEDRO C[C@@H](C#N)Oc1ccccc1NC(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C ZINC000186755539 548186680 /nfs/dbraw/zinc/18/66/80/548186680.db2.gz JNPNYGUCAGUGQZ-CABCVRRESA-N 1 0 360.458 2.286 20 30 FEEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)C[C@@H](O)Cc1ccccc1 ZINC000486068511 561337322 /nfs/dbraw/zinc/33/73/22/561337322.db2.gz YINRGJSEGIGFAS-NRFANRHFSA-N 1 0 365.477 2.442 20 30 FEEDRO COc1ccccc1CNC(=[NH2+])NCC1CCN(CC(F)(F)F)CC1 ZINC000187127617 548252298 /nfs/dbraw/zinc/25/22/98/548252298.db2.gz ORQXXOJWYQXQJP-UHFFFAOYSA-N 1 0 358.408 2.374 20 30 FEEDRO C#CCOc1ccccc1NC(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000188107481 548271604 /nfs/dbraw/zinc/27/16/04/548271604.db2.gz JSRXRUHLOHLYRH-UHFFFAOYSA-N 1 0 357.454 2.275 20 30 FEEDRO C=CCOc1cccc(NC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCC2)c1 ZINC000190015243 548316468 /nfs/dbraw/zinc/31/64/68/548316468.db2.gz YIUUHZOPKTUBCP-KRWDZBQOSA-N 1 0 357.454 2.277 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N2CCOC[C@H]2c2nc(C)cs2)CC1 ZINC000190175553 548318656 /nfs/dbraw/zinc/31/86/56/548318656.db2.gz KDKQZVVRYASMTG-HNNXBMFYSA-N 1 0 350.488 2.185 20 30 FEEDRO CC(C)[NH+]1CCN(CCC[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)CC1 ZINC000191575026 548348283 /nfs/dbraw/zinc/34/82/83/548348283.db2.gz FSTSPTJMQBOCAJ-QFIPXVFZSA-N 1 0 369.557 2.285 20 30 FEEDRO C[C@H](CNC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1)C[NH+]1CCCC1 ZINC000193876902 548399739 /nfs/dbraw/zinc/39/97/39/548399739.db2.gz GYMJWWUSBPJEPP-OAHLLOKOSA-N 1 0 356.470 2.274 20 30 FEEDRO CCOC(=O)N1CCC(NC(=[NH2+])NC[C@@H](OCC)c2ccccc2)CC1 ZINC000194581594 548501920 /nfs/dbraw/zinc/50/19/20/548501920.db2.gz PKNKRFPYVFDVPJ-QGZVFWFLSA-N 1 0 362.474 2.289 20 30 FEEDRO CC(C)(C#N)c1ccc(NC(=O)C(=O)N2CCC[N@@H+](C3CC3)CC2)cc1 ZINC000194699814 548517362 /nfs/dbraw/zinc/51/73/62/548517362.db2.gz NNAACDDBKVMYRO-UHFFFAOYSA-N 1 0 354.454 2.123 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N[C@@H](C[NH3+])C2CCCC2)cc1C(F)(F)F ZINC000194776380 548530772 /nfs/dbraw/zinc/53/07/72/548530772.db2.gz FQSDJPDXHBSGRI-AWEZNQCLSA-N 1 0 361.389 2.373 20 30 FEEDRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)Cc2ccc(C#N)cc2)CC1 ZINC000194885505 548545649 /nfs/dbraw/zinc/54/56/49/548545649.db2.gz RVOKMZAMCUXIBZ-ROUUACIJSA-N 1 0 354.498 2.118 20 30 FEEDRO Cc1nc(C#N)c(N2CCC(C(=O)NCCC[N@H+]3CCCC[C@H]3C)CC2)o1 ZINC000195051380 548568991 /nfs/dbraw/zinc/56/89/91/548568991.db2.gz UAXWCKSWUSIKKR-OAHLLOKOSA-N 1 0 373.501 2.452 20 30 FEEDRO Cc1oc(NC(=O)[C@H](C)N(C)CCN2C[C@@H](C)O[C@@H](C)C2)c(C#N)c1C ZINC000195321286 548622270 /nfs/dbraw/zinc/62/22/70/548622270.db2.gz SEVKPIFBTJLVCV-GUTXKFCHSA-N 1 0 362.474 2.136 20 30 FEEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)c1nnn(C2CC[NH2+]CC2)c1C ZINC000237283733 548815167 /nfs/dbraw/zinc/81/51/67/548815167.db2.gz PUSIYFXSGFLWBT-UHFFFAOYSA-N 1 0 369.469 2.348 20 30 FEEDRO C=CCN1C(=S)N=NC1c1sc(NC(=O)[C@@H]([NH3+])C(C)(C)C)nc1C ZINC000237582265 548836641 /nfs/dbraw/zinc/83/66/41/548836641.db2.gz FLXQTKSZMVCCII-SNVBAGLBSA-N 1 0 366.516 2.497 20 30 FEEDRO N#Cc1ccc2ncc(C[NH2+]CCNC(=O)c3ccc(Cl)cc3)n2c1 ZINC000237865770 548860399 /nfs/dbraw/zinc/86/03/99/548860399.db2.gz CGWHCGYIIUFURP-UHFFFAOYSA-N 1 0 353.813 2.379 20 30 FEEDRO N#Cc1ccccc1/C=C/C(=O)NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000245570021 548948647 /nfs/dbraw/zinc/94/86/47/548948647.db2.gz AEFLCALIIUISLQ-YGEFIYNQSA-N 1 0 361.445 2.323 20 30 FEEDRO CC(C)n1cnnc1[C@H]1CCC[N@H+](C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000246148946 549063681 /nfs/dbraw/zinc/06/36/81/549063681.db2.gz LXSGVRCYYFXZCG-ZWKOTPCHSA-N 1 0 369.469 2.350 20 30 FEEDRO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCC[C@@H](CNC(=O)c2ccccc2)C1 ZINC000248344745 549420354 /nfs/dbraw/zinc/42/03/54/549420354.db2.gz LYVMEBZUABEZJV-ROUUACIJSA-N 1 0 370.497 2.137 20 30 FEEDRO C[C@H](CNC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCC[C@H](C)C1 ZINC000248876997 549520124 /nfs/dbraw/zinc/52/01/24/549520124.db2.gz OCMWGFHIVTVYNC-QWHCGFSZSA-N 1 0 362.861 2.387 20 30 FEEDRO CCOc1ccc(C#N)cc1NC(=O)C(=O)N(C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000249225196 549570811 /nfs/dbraw/zinc/57/08/11/549570811.db2.gz UWCBGEOYWPGVHG-YOEHRIQHSA-N 1 0 372.469 2.084 20 30 FEEDRO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H](c3nc(C(F)(F)F)cn3C)C2)C1=O ZINC000489932192 561422600 /nfs/dbraw/zinc/42/26/00/561422600.db2.gz IRBYAMDUUVVBGV-CHWSQXEVSA-N 1 0 356.392 2.405 20 30 FEEDRO C[NH+]=C(NCc1ccc(-n2ccnc2C)nc1)N1CCSC(C)(C)C1 ZINC000261654164 549739698 /nfs/dbraw/zinc/73/96/98/549739698.db2.gz BFXYGTBGNADWBM-UHFFFAOYSA-N 1 0 358.515 2.479 20 30 FEEDRO C[NH+]=C(NCCc1c[nH]c2ccccc12)N1CCO[C@H](c2cnn(C)c2)C1 ZINC000261772373 549753518 /nfs/dbraw/zinc/75/35/18/549753518.db2.gz OGGUIKCCUBFMIO-IBGZPJMESA-N 1 0 366.469 2.093 20 30 FEEDRO CCCOc1ccc2c(c1)CCN(C(NCc1nnc(C)n1C)=[NH+]C)C2 ZINC000262001888 549778849 /nfs/dbraw/zinc/77/88/49/549778849.db2.gz UNWMITNTTRHEPV-UHFFFAOYSA-N 1 0 356.474 2.046 20 30 FEEDRO C[NH+]=C(NCc1nccn1C(F)F)N1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000262007066 549779874 /nfs/dbraw/zinc/77/98/74/549779874.db2.gz VWAKUAHVORHJET-OLZOCXBDSA-N 1 0 351.405 2.133 20 30 FEEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)C[C@@H]1COCC[NH2+]1 ZINC000262304025 549808504 /nfs/dbraw/zinc/80/85/04/549808504.db2.gz BCZKNDURYGKBGS-CQSZACIVSA-N 1 0 371.250 2.481 20 30 FEEDRO C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)N[C@@H]1CCN(c2cccc(OC)c2)C1 ZINC000262384115 549816095 /nfs/dbraw/zinc/81/60/95/549816095.db2.gz KZHDUFLSTUUAJF-FDPIWHGQSA-N 1 0 372.513 2.252 20 30 FEEDRO CC[NH+]=C(NC[C@@]1(O)CCSC1)N1CC[C@H](c2ccc(OC)cc2)C1 ZINC000262440590 549820028 /nfs/dbraw/zinc/82/00/28/549820028.db2.gz UNYLYZWKPSURAO-LPHOPBHVSA-N 1 0 363.527 2.318 20 30 FEEDRO O=S1(=O)CC[C@H](CNC(NCc2cccc(F)c2)=[NH+]C2CCCC2)C1 ZINC000262451278 549821011 /nfs/dbraw/zinc/82/10/11/549821011.db2.gz WATHKSFWZBWIKG-OAHLLOKOSA-N 1 0 367.490 2.238 20 30 FEEDRO Cc1cc(CNC(NC[C@H]2CCS(=O)(=O)C2)=[NH+]C2CC2)ccc1Cl ZINC000262465684 549822310 /nfs/dbraw/zinc/82/23/10/549822310.db2.gz YERNMDHMNMCTME-CQSZACIVSA-N 1 0 369.918 2.281 20 30 FEEDRO CN(Cc1ccccc1Cl)C(NC[C@H]1CCS(=O)(=O)C1)=[NH+]C1CC1 ZINC000262591426 549830737 /nfs/dbraw/zinc/83/07/37/549830737.db2.gz UXWTZPKCWQUJQP-CYBMUJFWSA-N 1 0 369.918 2.315 20 30 FEEDRO C[NH+]=C(NCc1sc(C)nc1C)N[C@@H]1CCC[C@H](C(=O)N(C)C)C1 ZINC000262612711 549832165 /nfs/dbraw/zinc/83/21/65/549832165.db2.gz AZFZVPBOHJXHNV-UONOGXRCSA-N 1 0 351.520 2.072 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC(N(C)C(C)=O)CC1)C(C)C ZINC000263669895 549916688 /nfs/dbraw/zinc/91/66/88/549916688.db2.gz HAMIIHHWPCIQMJ-LJQANCHMSA-N 1 0 364.534 2.337 20 30 FEEDRO COc1ccc(CNC(=[NH2+])NCCN2CCc3sccc3C2)cc1OC ZINC000264083877 549977223 /nfs/dbraw/zinc/97/72/23/549977223.db2.gz IFYWVRQZWDTZGZ-UHFFFAOYSA-N 1 0 374.510 2.228 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CCN(Cc3ccccc3)C2=O)CC1 ZINC000264364693 549994444 /nfs/dbraw/zinc/99/44/44/549994444.db2.gz HOUXVDZBIYSEHP-LJQANCHMSA-N 1 0 370.497 2.127 20 30 FEEDRO CC[NH+]1CCN(c2ccc(CNC(=O)N(C)C[C@@H](C)C#N)cc2F)CC1 ZINC000264395160 549995058 /nfs/dbraw/zinc/99/50/58/549995058.db2.gz XUVBZQUEYDKGFF-HNNXBMFYSA-N 1 0 361.465 2.269 20 30 FEEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1CCC[C@H]([NH+](C)C)C1 ZINC000264656390 549999471 /nfs/dbraw/zinc/99/94/71/549999471.db2.gz ZPDUNOKCMCEDFJ-IRXDYDNUSA-N 1 0 358.486 2.356 20 30 FEEDRO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](C)C1CCN(C(=O)c2ccccc2)CC1 ZINC000264905911 550003440 /nfs/dbraw/zinc/00/34/40/550003440.db2.gz CWLZVYHCBGHXQU-KRWDZBQOSA-N 1 0 370.497 2.231 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](CO)c2c(F)cccc2F)CC1 ZINC000265267243 550008149 /nfs/dbraw/zinc/00/81/49/550008149.db2.gz UEFPHHBRPPRTBY-INIZCTEOSA-N 1 0 353.413 2.338 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[S@](=O)[C@@H](C)[C@@H]1C)C(C)C ZINC000265536519 550011444 /nfs/dbraw/zinc/01/14/44/550011444.db2.gz DSXPDIJRIQYFPQ-POESELISSA-N 1 0 355.548 2.236 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)Nc2cc(F)c(F)cc2C(=O)OCC)CC1 ZINC000266182013 550017743 /nfs/dbraw/zinc/01/77/43/550017743.db2.gz UCHKIJSIGFAWOR-UHFFFAOYSA-N 1 0 350.365 2.425 20 30 FEEDRO C=CCN(CC(F)(F)F)C(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000266157448 550017782 /nfs/dbraw/zinc/01/77/82/550017782.db2.gz PHXSKPVJXLMLQM-UHFFFAOYSA-N 1 0 356.392 2.171 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1cn(Cc2ccccn2)nn1)C(C)C ZINC000266268142 550018841 /nfs/dbraw/zinc/01/88/41/550018841.db2.gz AIKUMIKYJANTLK-LJQANCHMSA-N 1 0 368.485 2.150 20 30 FEEDRO C[C@@H]([NH2+][C@H]1CCCN(c2cnn(C)c2)C1=O)c1ccc(OCC#N)cc1 ZINC000266456239 550020423 /nfs/dbraw/zinc/02/04/23/550020423.db2.gz LAOUSOPCIGCCKD-KDOFPFPSSA-N 1 0 353.426 2.169 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C[C@@H]2CN(Cc3ccccc3)CCO2)CC1 ZINC000266453394 550020595 /nfs/dbraw/zinc/02/05/95/550020595.db2.gz OKSWCXBGRWVMJO-OAQYLSRUSA-N 1 0 371.525 2.434 20 30 FEEDRO C=CCNC(=O)c1ccc(NC(=O)NC[C@@]2([NH+](C)C)CCSC2)cc1 ZINC000267248161 550029026 /nfs/dbraw/zinc/02/90/26/550029026.db2.gz ZGVZXQSWHIBBBQ-SFHVURJKSA-N 1 0 362.499 2.161 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H](CC)c2nnc3n2CCCCC3)CC1 ZINC000267321709 550029994 /nfs/dbraw/zinc/02/99/94/550029994.db2.gz KHJQTHIYZLESNB-INIZCTEOSA-N 1 0 360.506 2.405 20 30 FEEDRO CCOC(=O)N1CCC(NC(=[NH2+])NCc2coc(-c3ccccc3)n2)CC1 ZINC000267415749 550031068 /nfs/dbraw/zinc/03/10/68/550031068.db2.gz JHNPQFQXJFCQFL-UHFFFAOYSA-N 1 0 371.441 2.367 20 30 FEEDRO Cc1ccc([C@@H]2OCCC[C@H]2CNC(=[NH2+])NCCCN2CCOCC2)cc1 ZINC000267454513 550031767 /nfs/dbraw/zinc/03/17/67/550031767.db2.gz SLBAJFUGLDUFEI-PMACEKPBSA-N 1 0 374.529 2.089 20 30 FEEDRO CC(C)CCNC(=[NH2+])NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N ZINC000267471484 550032044 /nfs/dbraw/zinc/03/20/44/550032044.db2.gz XWHUEKRNDMVPMI-UHFFFAOYSA-N 1 0 371.464 2.348 20 30 FEEDRO C[NH+](C)C[C@H]1CCCN1C(=O)CCC(=O)N(CCC#N)c1ccccc1 ZINC000268130195 550036952 /nfs/dbraw/zinc/03/69/52/550036952.db2.gz MFMGZAAKPHDVTA-GOSISDBHSA-N 1 0 356.470 2.266 20 30 FEEDRO C=CCC[C@@H](O)C[N@@H+]1CCc2cc(OC)c(OC)cc2[C@@H]1CC(=O)OC ZINC000268625030 550095711 /nfs/dbraw/zinc/09/57/11/550095711.db2.gz JIXKCXIBIJVGJS-WBVHZDCISA-N 1 0 363.454 2.493 20 30 FEEDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2S(=O)(=O)c2ccc(C#N)c(Cl)c2)C1 ZINC000269103174 550154953 /nfs/dbraw/zinc/15/49/53/550154953.db2.gz AKVBBIBNBCDSBW-CJNGLKHVSA-N 1 0 353.875 2.316 20 30 FEEDRO CN(Cc1cccc(C#N)c1)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000269356579 550185220 /nfs/dbraw/zinc/18/52/20/550185220.db2.gz STZFYPBBRJOABW-RBUKOAKNSA-N 1 0 356.470 2.077 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Cn1cc(Br)cn1)C(C)C ZINC000493094868 561454338 /nfs/dbraw/zinc/45/43/38/561454338.db2.gz BKWUQCYKQRIAPC-HNNXBMFYSA-N 1 0 369.307 2.460 20 30 FEEDRO CCOC(=O)Nc1ccc(NC(=O)CCN2CC[NH+](CC)CC2)cc1C#N ZINC000269820999 550227940 /nfs/dbraw/zinc/22/79/40/550227940.db2.gz XPQKAICIPWONKP-UHFFFAOYSA-N 1 0 373.457 2.093 20 30 FEEDRO C#CC[C@@H](NC(=O)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1)c1ccccc1 ZINC000270438201 550272366 /nfs/dbraw/zinc/27/23/66/550272366.db2.gz JJDFLZSIZHVQEJ-UXHICEINSA-N 1 0 356.514 2.322 20 30 FEEDRO C#CC[C@@H]([NH2+]CC(=O)N1CCN([C@H](C#N)C(C)C)CC1)c1ccccc1 ZINC000271716479 550397172 /nfs/dbraw/zinc/39/71/72/550397172.db2.gz PEDRDDYZCGDTCY-WOJBJXKFSA-N 1 0 352.482 2.033 20 30 FEEDRO N#Cc1cccc(C2([NH2+]CC(=O)NC(=O)NCc3cccs3)CC2)c1 ZINC000271805202 550402996 /nfs/dbraw/zinc/40/29/96/550402996.db2.gz PXHMBHSRVQSVOP-UHFFFAOYSA-N 1 0 354.435 2.224 20 30 FEEDRO N#CCN1CCC[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC000272058667 550419527 /nfs/dbraw/zinc/41/95/27/550419527.db2.gz BVHCRFBDCBZFNA-PMACEKPBSA-N 1 0 354.498 2.393 20 30 FEEDRO C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000272442527 550448672 /nfs/dbraw/zinc/44/86/72/550448672.db2.gz ANPWOIZSOWSHIS-WZYMTQMTSA-N 1 0 370.453 2.047 20 30 FEEDRO C=CCS(=O)(=O)CC[NH2+][C@@H](C)CC(=O)N(C)Cc1ccccc1Cl ZINC000272813342 550472182 /nfs/dbraw/zinc/47/21/82/550472182.db2.gz DNXHEHIIQIAGTK-AWEZNQCLSA-N 1 0 372.918 2.267 20 30 FEEDRO C[C@@H](CNC1=[NH+]C[C@@H]2CN(C(=O)OC(C)(C)C)CCN12)c1nccs1 ZINC000273498741 550500550 /nfs/dbraw/zinc/50/05/50/550500550.db2.gz OXRWFONPGWNPKO-QWHCGFSZSA-N 1 0 365.503 2.127 20 30 FEEDRO Cc1nc(-c2nc(-c3cc(N4CC[NH+](C)CC4)ccn3)no2)ccc1C#N ZINC000273762028 550510785 /nfs/dbraw/zinc/51/07/85/550510785.db2.gz DKWAVWQIOWAABY-UHFFFAOYSA-N 1 0 361.409 2.126 20 30 FEEDRO Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000274555436 550543570 /nfs/dbraw/zinc/54/35/70/550543570.db2.gz YIODCNYEFWHDSS-QGZVFWFLSA-N 1 0 368.485 2.139 20 30 FEEDRO C=C(C)[C@@H](NC(=O)NC[C@@H]1C[N@@H+](C)CCN1C)c1ccc(F)c(F)c1 ZINC000274712171 550550432 /nfs/dbraw/zinc/55/04/32/550550432.db2.gz AVDPAPVUSAPBSY-RHSMWYFYSA-N 1 0 352.429 2.127 20 30 FEEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]C[C@@H]1CC(=O)N(CCOC)[C@H]1c1cnn(C)c1C ZINC000275630217 550573139 /nfs/dbraw/zinc/57/31/39/550573139.db2.gz SFSFSFIUTCMLRW-RNKNFESXSA-N 1 0 362.518 2.455 20 30 FEEDRO C=CCOc1cccc(NC(=O)C(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)c1 ZINC000275780048 550574321 /nfs/dbraw/zinc/57/43/21/550574321.db2.gz FHROZUBSPJAGTE-OAHLLOKOSA-N 1 0 359.470 2.379 20 30 FEEDRO C=CCN(C(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1)C1CC1 ZINC000275985219 550575651 /nfs/dbraw/zinc/57/56/51/550575651.db2.gz FBDLORHKTFTKCM-UHFFFAOYSA-N 1 0 365.861 2.396 20 30 FEEDRO C[NH+](C)[C@]1(CNC(=O)Nc2ncccc2OCCCC#N)CCSC1 ZINC000276082701 550576463 /nfs/dbraw/zinc/57/64/63/550576463.db2.gz OIRKBLWZQXWHGG-KRWDZBQOSA-N 1 0 363.487 2.323 20 30 FEEDRO C=CCN(CC=C)C(=O)[C@H](C)N[C@H]1CC[N@@H+](CCCOCC)C[C@@H]1C ZINC000276243921 550577619 /nfs/dbraw/zinc/57/76/19/550577619.db2.gz OPYNXHFSKHAKFG-FHWLQOOXSA-N 1 0 351.535 2.302 20 30 FEEDRO N#Cc1ncccc1S(=O)(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000277045076 550625474 /nfs/dbraw/zinc/62/54/74/550625474.db2.gz PSCSMWRCIUGXFR-UHFFFAOYSA-N 1 0 356.451 2.028 20 30 FEEDRO CC[NH+]1CCC(NS(=O)(=O)c2ccc(C#N)c(Br)c2)CC1 ZINC000278583007 550801312 /nfs/dbraw/zinc/80/13/12/550801312.db2.gz DNJRTPIYTHBEJC-UHFFFAOYSA-N 1 0 372.288 2.083 20 30 FEEDRO CC[C@H](C)NC(=O)CC[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000278717694 550814462 /nfs/dbraw/zinc/81/44/62/550814462.db2.gz SPGNAMHNWJPTCE-HNNXBMFYSA-N 1 0 354.458 2.253 20 30 FEEDRO CC(C)(C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)N1CCOCC1 ZINC000278731482 550815682 /nfs/dbraw/zinc/81/56/82/550815682.db2.gz UMTJOYKWDGXTTI-UHFFFAOYSA-N 1 0 368.485 2.059 20 30 FEEDRO COC[C@H]([NH2+][C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1)[C@@H]1CCCO1 ZINC000278783861 550821277 /nfs/dbraw/zinc/82/12/77/550821277.db2.gz OMQLBFOZMIVKEI-RLCCDNCMSA-N 1 0 351.834 2.322 20 30 FEEDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000279369194 550882164 /nfs/dbraw/zinc/88/21/64/550882164.db2.gz IPQYVNOTINOPFC-AWEZNQCLSA-N 1 0 373.501 2.242 20 30 FEEDRO C#CCn1ccc(CN(CC)C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)n1 ZINC000279424547 550888712 /nfs/dbraw/zinc/88/87/12/550888712.db2.gz IURCJWCHAVSMAD-UHFFFAOYSA-N 1 0 371.460 2.449 20 30 FEEDRO COCCO[C@@H]1CC[N@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000279482072 550894979 /nfs/dbraw/zinc/89/49/79/550894979.db2.gz WWHMJTHHXGFKHC-GOSISDBHSA-N 1 0 355.442 2.096 20 30 FEEDRO N#Cc1ccc(OC2CCC(NC(=O)NCC[N@H+]3CC=CCC3)CC2)nc1 ZINC000280072882 550958454 /nfs/dbraw/zinc/95/84/54/550958454.db2.gz ZGBKALVLRODTDN-UHFFFAOYSA-N 1 0 369.469 2.204 20 30 FEEDRO COC(=O)c1ccc(NC(=O)N(CCC#N)CCC[NH+](C)C)cc1OC ZINC000280450488 550995136 /nfs/dbraw/zinc/99/51/36/550995136.db2.gz GWLRCTBGKUDIPY-UHFFFAOYSA-N 1 0 362.430 2.181 20 30 FEEDRO N#Cc1cccc(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)c1 ZINC000280889497 551042672 /nfs/dbraw/zinc/04/26/72/551042672.db2.gz FGHVRNRASWRGAE-SFHVURJKSA-N 1 0 354.454 2.410 20 30 FEEDRO C=CCN1CC[C@H]([NH2+][C@@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)c(F)c2)C1=O ZINC000280930182 551046560 /nfs/dbraw/zinc/04/65/60/551046560.db2.gz DVXYUGXASUCNQA-UXLLHSPISA-N 1 0 365.836 2.127 20 30 FEEDRO C=CCN1CC[C@H]([N@@H+](C)C[C@H](O)CO[C@H](C)c2ccc(Cl)cc2)C1=O ZINC000281195596 551072751 /nfs/dbraw/zinc/07/27/51/551072751.db2.gz CDIQMEVWKUJMNT-JLSDUUJJSA-N 1 0 366.889 2.497 20 30 FEEDRO CCN(CC(=O)Nc1sc2c(c1C#N)CCCCC2)[C@@H]1CCNC1=O ZINC000281511836 551106983 /nfs/dbraw/zinc/10/69/83/551106983.db2.gz ABXRNHZKAJPQTF-CQSZACIVSA-N 1 0 360.483 2.038 20 30 FEEDRO C=CC[C@@H](CC)NC(=O)C(=O)Nc1ccc(C)c(NC(=O)CC[NH+](C)C)c1 ZINC000281515024 551107610 /nfs/dbraw/zinc/10/76/10/551107610.db2.gz RVEJNLULNZEHPH-OAHLLOKOSA-N 1 0 374.485 2.295 20 30 FEEDRO COc1cc(C[NH2+][C@@H]2CCCN(Cc3ccccn3)C2=O)ccc1C#N ZINC000281793564 551144482 /nfs/dbraw/zinc/14/44/82/551144482.db2.gz USTCOWCUMAFZSO-GOSISDBHSA-N 1 0 350.422 2.243 20 30 FEEDRO CC(C)(C)C(=O)NC[C@H]1CCCN(CC(=O)NCc2cccc(C#N)c2)C1 ZINC000497366620 561499382 /nfs/dbraw/zinc/49/93/82/561499382.db2.gz MEAZCIIFKWRRKN-GOSISDBHSA-N 1 0 370.497 2.049 20 30 FEEDRO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](CC(=O)NCc2cccc(C#N)c2)C1 ZINC000497371602 561499631 /nfs/dbraw/zinc/49/96/31/561499631.db2.gz QHAQHILSADHYMV-QFBILLFUSA-N 1 0 370.497 2.191 20 30 FEEDRO COCCC[C@@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1ccc(F)cc1 ZINC000282302106 551208987 /nfs/dbraw/zinc/20/89/87/551208987.db2.gz MJJVWZHCYKQOAV-OZNQOIHVSA-N 1 0 361.417 2.409 20 30 FEEDRO Cc1ccc([C@H](CNS(=O)(=O)N(C)C[C@H](C)C#N)[NH+]2CCCC2)cc1 ZINC000282639044 551254823 /nfs/dbraw/zinc/25/48/23/551254823.db2.gz LEOQNSQLMXDMGZ-AEFFLSMTSA-N 1 0 364.515 2.058 20 30 FEEDRO C[C@@H](C#N)CN(C)S(=O)(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000282804878 551272321 /nfs/dbraw/zinc/27/23/21/551272321.db2.gz KJJQQVNLPDXBQO-INIZCTEOSA-N 1 0 364.515 2.098 20 30 FEEDRO CC[NH+](CC)Cc1ccc(CNS(=O)(=O)N(C)[C@H](C)CC#N)cc1 ZINC000282929810 551286523 /nfs/dbraw/zinc/28/65/23/551286523.db2.gz HXWLLWXTPWNJFE-OAHLLOKOSA-N 1 0 352.504 2.097 20 30 FEEDRO C[C@H](CC#N)N(C)S(=O)(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000283059645 551305307 /nfs/dbraw/zinc/30/53/07/551305307.db2.gz TVLFHXKTDPYYES-CQSZACIVSA-N 1 0 370.544 2.028 20 30 FEEDRO C#Cc1cc(F)c(NC(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)c(F)c1 ZINC000283234483 551333547 /nfs/dbraw/zinc/33/35/47/551333547.db2.gz KEOTVYMGBPATDD-OAHLLOKOSA-N 1 0 365.424 2.367 20 30 FEEDRO C=CCN(CC=C)C(=O)C(=O)NC[C@@H](c1ccccc1OC)[NH+]1CCCC1 ZINC000283286122 551342068 /nfs/dbraw/zinc/34/20/68/551342068.db2.gz DDOIJUQDZNBOMX-SFHVURJKSA-N 1 0 371.481 2.149 20 30 FEEDRO C#Cc1cc(F)c(NC(=O)C(=O)NCC(C)(C)C[NH+]2CCCC2)c(F)c1 ZINC000283363924 551354208 /nfs/dbraw/zinc/35/42/08/551354208.db2.gz TVNHQKLYOWRXMZ-UHFFFAOYSA-N 1 0 363.408 2.123 20 30 FEEDRO C=CCn1c(-c2cccnc2)nnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000283402744 551360799 /nfs/dbraw/zinc/36/07/99/551360799.db2.gz FMGKFQKTNOOXOA-KRWDZBQOSA-N 1 0 368.485 2.075 20 30 FEEDRO C[C@H]1C[NH+](CCC2CCN(C(=O)c3cc(C#N)ccn3)CC2)C[C@H](C)O1 ZINC000283761560 551423644 /nfs/dbraw/zinc/42/36/44/551423644.db2.gz QCKGFJAINSSUCS-HOTGVXAUSA-N 1 0 356.470 2.305 20 30 FEEDRO CN1CC[C@H]([NH2+]C[C@@H](O)COc2ccc(C#N)cc2)[C@H]1c1ccccc1 ZINC000283835796 551435221 /nfs/dbraw/zinc/43/52/21/551435221.db2.gz CGKREOSARYHPHX-HLAWJBBLSA-N 1 0 351.450 2.333 20 30 FEEDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)N[C@@H](C)c2ccc(C#N)cc2)C1 ZINC000283913405 551448816 /nfs/dbraw/zinc/44/88/16/551448816.db2.gz IQINYNMNPYDAKH-FUHWJXTLSA-N 1 0 370.497 2.220 20 30 FEEDRO C[C@@H](NC(=O)C(=O)NCCCC[NH+]1CCC(C)CC1)c1ccc(C#N)cc1 ZINC000284154891 551494168 /nfs/dbraw/zinc/49/41/68/551494168.db2.gz XNSPSNZENVVYSC-QGZVFWFLSA-N 1 0 370.497 2.364 20 30 FEEDRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@H](C)c2ccc(C#N)cc2)CC1=O ZINC000498190970 561517971 /nfs/dbraw/zinc/51/79/71/561517971.db2.gz SCLRHQJEZWKFKR-AYOQOUSVSA-N 1 0 368.481 2.068 20 30 FEEDRO C=CCN(CCc1ccco1)C(=O)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000284349903 551529799 /nfs/dbraw/zinc/52/97/99/551529799.db2.gz YAZWHEPHTHWYRY-UHFFFAOYSA-N 1 0 373.497 2.360 20 30 FEEDRO C=CCCN(C)C(=O)C(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCCC1 ZINC000284389644 551539051 /nfs/dbraw/zinc/53/90/51/551539051.db2.gz MPPSWHCDLDWCTO-IBGZPJMESA-N 1 0 373.497 2.373 20 30 FEEDRO C[C@@H](O)C[N@@H+]1CCN(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)[C@H](C)C1 ZINC000284576283 551581004 /nfs/dbraw/zinc/58/10/04/551581004.db2.gz KNWHGCNJICRXFX-VXGBXAGGSA-N 1 0 370.375 2.496 20 30 FEEDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)C3CCN(c4ccc(C#N)cc4F)CC3)[C@H]2C1 ZINC000285734636 551802949 /nfs/dbraw/zinc/80/29/49/551802949.db2.gz GRMBDRRHMPWPJR-UZLBHIALSA-N 1 0 370.472 2.466 20 30 FEEDRO N#CCCCCNC(=O)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000286142766 551853730 /nfs/dbraw/zinc/85/37/30/551853730.db2.gz ANARKEURJPOHNA-YQQQUEKLSA-N 1 0 368.481 2.108 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CC[C@H](c3ccccc3C)C2)CC1 ZINC000286351508 551877458 /nfs/dbraw/zinc/87/74/58/551877458.db2.gz BMLJKBPTVZNDKZ-SFHVURJKSA-N 1 0 369.509 2.468 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2c3cccc(F)c3CC[C@@H]2C)CC1 ZINC000286367067 551879456 /nfs/dbraw/zinc/87/94/56/551879456.db2.gz CERXXQCOLCMYFT-LIRRHRJNSA-N 1 0 373.472 2.332 20 30 FEEDRO C[C@@H](CNC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1)C[NH+]1CCCC1 ZINC000286370855 551879888 /nfs/dbraw/zinc/87/98/88/551879888.db2.gz JUVBFNIDBSBEEE-RDJZCZTQSA-N 1 0 358.461 2.372 20 30 FEEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+](C)[C@@H]2CCC[C@H]2O)c1C#N ZINC000286439999 551885380 /nfs/dbraw/zinc/88/53/80/551885380.db2.gz JGICYOKIUXQJDZ-QZTJIDSGSA-N 1 0 370.453 2.402 20 30 FEEDRO COC(=O)[C@@]1(C(F)(F)F)CC[N@H+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000286525444 551896132 /nfs/dbraw/zinc/89/61/32/551896132.db2.gz NKIFGIIPMWLOKV-MRXNPFEDSA-N 1 0 369.343 2.314 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(C)[C@H](CC)c2ccncc2)CC1 ZINC000286724883 551919121 /nfs/dbraw/zinc/91/91/21/551919121.db2.gz REROUOMBWFYKIH-GOSISDBHSA-N 1 0 358.486 2.148 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N2C[C@@H](c3ccc(F)cc3)C[C@H]2C)CC1 ZINC000286737967 551920721 /nfs/dbraw/zinc/92/07/21/551920721.db2.gz RZYNISRMEWAOLX-WBVHZDCISA-N 1 0 373.472 2.297 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)Cc2ccc(C)cc2C)CC1 ZINC000286843089 551932428 /nfs/dbraw/zinc/93/24/28/551932428.db2.gz YIWGUXYZFNPJBE-KRWDZBQOSA-N 1 0 357.498 2.117 20 30 FEEDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(S(=O)(=O)c2ccc(C#N)o2)C1 ZINC000286844526 551932709 /nfs/dbraw/zinc/93/27/09/551932709.db2.gz KPAJVGKCZPTHOM-LSDHHAIUSA-N 1 0 351.472 2.426 20 30 FEEDRO C[C@@H](CC#N)NC(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1c1cnn(C)c1 ZINC000286895407 551937627 /nfs/dbraw/zinc/93/76/27/551937627.db2.gz YUHQNXVDBXMEML-IPELMVKDSA-N 1 0 351.454 2.054 20 30 FEEDRO C[N@H+](CCNC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1)C1CC1 ZINC000287039740 551954922 /nfs/dbraw/zinc/95/49/22/551954922.db2.gz MFZHDTOHVNPUQA-UHFFFAOYSA-N 1 0 360.433 2.344 20 30 FEEDRO COc1ccc([C@@H](CNC(=O)Cn2cc(C#N)cn2)[NH+]2CCCCC2)cc1 ZINC000287060612 551958308 /nfs/dbraw/zinc/95/83/08/551958308.db2.gz JHIGJVLORQEYLU-LJQANCHMSA-N 1 0 367.453 2.107 20 30 FEEDRO CCOC1CC(N(C)CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1 ZINC000287082788 551961426 /nfs/dbraw/zinc/96/14/26/551961426.db2.gz WOJUGMSYRJIXBV-UHFFFAOYSA-N 1 0 353.426 2.182 20 30 FEEDRO C=CCOc1ccc(CNC(=O)NC[C@@H](C)C[NH+]2CCN(CC)CC2)cc1 ZINC000287217902 551977523 /nfs/dbraw/zinc/97/75/23/551977523.db2.gz VUNMAHLWUWMXTK-GOSISDBHSA-N 1 0 374.529 2.324 20 30 FEEDRO N#CCCCCNC(=O)N1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000287249745 551981334 /nfs/dbraw/zinc/98/13/34/551981334.db2.gz HHSNZIIUQUEIKV-HXUWFJFHSA-N 1 0 369.513 2.282 20 30 FEEDRO CC[C@](C)(C#N)C(=O)N1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000287367071 551994972 /nfs/dbraw/zinc/99/49/72/551994972.db2.gz NYWSTAOEMTYFNO-TZIWHRDSSA-N 1 0 354.498 2.345 20 30 FEEDRO C=CCN(CCc1ccccc1)C(=O)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000287375682 551996213 /nfs/dbraw/zinc/99/62/13/551996213.db2.gz ZUSNSGVKYJIDSZ-RTBURBONSA-N 1 0 357.498 2.233 20 30 FEEDRO C#CCC(C)(C)C(=O)N1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000287401226 551999297 /nfs/dbraw/zinc/99/92/97/551999297.db2.gz PLCBNVCPRWSIFY-HXUWFJFHSA-N 1 0 353.510 2.455 20 30 FEEDRO CN(CCC[NH+]1CCCC1)C(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC000287625702 552027152 /nfs/dbraw/zinc/02/71/52/552027152.db2.gz GVCFEJSKCSVTLV-QGZVFWFLSA-N 1 0 358.461 2.468 20 30 FEEDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000288208963 552110749 /nfs/dbraw/zinc/11/07/49/552110749.db2.gz SZFDTCNCLNTSLC-GDBMZVCRSA-N 1 0 371.485 2.138 20 30 FEEDRO Cc1onc(CC(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1C#N ZINC000499873533 561560240 /nfs/dbraw/zinc/56/02/40/561560240.db2.gz MOZDIORGLNRLDT-QGZVFWFLSA-N 1 0 352.438 2.378 20 30 FEEDRO C=CCOc1ccc(C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)cc1OC ZINC000499899884 561561046 /nfs/dbraw/zinc/56/10/46/561561046.db2.gz YTFCFNBRUKDZMM-KRWDZBQOSA-N 1 0 362.470 2.443 20 30 FEEDRO C=CCN1CC[C@@H]([N@H+](C)C[C@@H](O)COc2cc(Cl)ccc2Cl)C1=O ZINC000499994852 561563652 /nfs/dbraw/zinc/56/36/52/561563652.db2.gz HTQLGYQRSVKSLA-UKRRQHHQSA-N 1 0 373.280 2.452 20 30 FEEDRO C=CCN1CC[C@@H](N(C)CC(=O)NC[C@@H](c2ccccc2)C(C)C)C1=O ZINC000499994866 561563656 /nfs/dbraw/zinc/56/36/56/561563656.db2.gz HYWINSOUJPXNEM-RTBURBONSA-N 1 0 357.498 2.261 20 30 FEEDRO Cc1onc(CC(=O)N[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1C#N 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C=CCN(CC=C)C(=O)C[NH2+][C@@H](C)c1ccc(N2CCCNC2=O)cc1 ZINC000291241352 552605155 /nfs/dbraw/zinc/60/51/55/552605155.db2.gz NDIBOFQMTKRDTJ-INIZCTEOSA-N 1 0 356.470 2.458 20 30 FEEDRO C[C@@H]1CN(S(=O)(=O)c2ccc(F)c(C#N)c2)CC[N@@H+](C2CCC2)C1 ZINC000292074606 552690961 /nfs/dbraw/zinc/69/09/61/552690961.db2.gz QGCKXKMCKMVXMS-ZDUSSCGKSA-N 1 0 351.447 2.192 20 30 FEEDRO COc1cc(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc2c1OCO2 ZINC000292746172 552754678 /nfs/dbraw/zinc/75/46/78/552754678.db2.gz HZGOLBQVVGNAFD-OAHLLOKOSA-N 1 0 353.378 2.344 20 30 FEEDRO C=C[C@H](CO)NC(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000292932996 552772267 /nfs/dbraw/zinc/77/22/67/552772267.db2.gz KLXZNUUOXZKUOP-WOSRLPQWSA-N 1 0 355.841 2.318 20 30 FEEDRO C[C@@H]([NH2+]C(C)(C)CNC(=O)C(=O)Nc1ccc(C#N)cn1)c1ccccc1 ZINC000292960793 552775304 /nfs/dbraw/zinc/77/53/04/552775304.db2.gz AKPMVVAFQDRMST-CQSZACIVSA-N 1 0 365.437 2.137 20 30 FEEDRO N#Cc1ccc(N2CCC[C@H]([NH+]3CCC4(CC3)OCCCO4)C2=O)cc1 ZINC000292972855 552776428 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C#CCO[C@H](C)C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCC2)cc1 ZINC000294482682 552909587 /nfs/dbraw/zinc/90/95/87/552909587.db2.gz MVHPKTMLBGMUJR-MRXNPFEDSA-N 1 0 357.454 2.478 20 30 FEEDRO CC#CCCNC(=O)N1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000502130932 561612695 /nfs/dbraw/zinc/61/26/95/561612695.db2.gz VUNBRVIEUWRMQB-FQEVSTJZSA-N 1 0 354.498 2.002 20 30 FEEDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1S(=O)(=O)Cc1ccc(F)cc1C#N ZINC000295871048 553070059 /nfs/dbraw/zinc/07/00/59/553070059.db2.gz FQJBJFBPHXIHPC-GUYCJALGSA-N 1 0 351.447 2.086 20 30 FEEDRO CC[N@H+](CCNC(=O)C(=O)Nc1sc(C(C)(C)C)cc1C#N)C1CC1 ZINC000295881689 553071554 /nfs/dbraw/zinc/07/15/54/553071554.db2.gz ATYPVVNLFGECEG-UHFFFAOYSA-N 1 0 362.499 2.456 20 30 FEEDRO COCC1(C#N)CCN(C(=O)NCc2ccc(CC[NH+](C)C)cc2)CC1 ZINC000502385702 561617448 /nfs/dbraw/zinc/61/74/48/561617448.db2.gz MIEVPGKKPVDRAU-UHFFFAOYSA-N 1 0 358.486 2.252 20 30 FEEDRO N#CC[C@@H]1CC[C@H](NC(=O)NCc2ccccc2CN2CCOCC2)C1 ZINC000296166300 553115308 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20 30 FEEDRO C=CCNC(=O)NC(=O)C[N@@H+](CCC)[C@H](C)CC(=O)Nc1ccccc1 ZINC000502939783 561630618 /nfs/dbraw/zinc/63/06/18/561630618.db2.gz MYYANRLXKOPDIL-OAHLLOKOSA-N 1 0 360.458 2.128 20 30 FEEDRO CC(C)C[C@H](Nc1cc(C#N)nc(C2CC2)n1)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000601192061 553358290 /nfs/dbraw/zinc/35/82/90/553358290.db2.gz QDZMYUVAXVBFIB-IRXDYDNUSA-N 1 0 370.501 2.215 20 30 FEEDRO C=CCN(Cc1ccccc1)C(=O)C(=O)N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000298313083 553411386 /nfs/dbraw/zinc/41/13/86/553411386.db2.gz PACSMSYCWPAUEM-IBGZPJMESA-N 1 0 357.498 2.392 20 30 FEEDRO C[C@@H](O)CNc1cc(N2CCC(Oc3cccc(C#N)c3)CC2)ncn1 ZINC000298323643 553412119 /nfs/dbraw/zinc/41/21/19/553412119.db2.gz RMDVIAMWKXRCLH-CQSZACIVSA-N 1 0 353.426 2.189 20 30 FEEDRO C[C@H](CNC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)[NH+](C)C ZINC000298396385 553420301 /nfs/dbraw/zinc/42/03/01/553420301.db2.gz FKFJIKKMSKTBNV-CYBMUJFWSA-N 1 0 371.441 2.089 20 30 FEEDRO C[C@@H]1CN(C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)C[C@H]1C[NH3+] ZINC000601562602 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2.372 20 30 FEEDRO CCCC[N@H+](C)CCNC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000504428407 561658145 /nfs/dbraw/zinc/65/81/45/561658145.db2.gz YKDKHEWHKKTQQK-GOSISDBHSA-N 1 0 371.485 2.085 20 30 FEEDRO C[N@H+](CCCNS(=O)(=O)c1ccc(F)c(C#N)c1)Cc1ccccc1 ZINC000301308193 553641394 /nfs/dbraw/zinc/64/13/94/553641394.db2.gz PTVRCLHVVMFUMF-UHFFFAOYSA-N 1 0 361.442 2.498 20 30 FEEDRO CCN(CC)C(=O)C[N@@H+]1CCCN(c2ccc3cc(C#N)ccc3n2)CC1 ZINC000301834169 553683840 /nfs/dbraw/zinc/68/38/40/553683840.db2.gz VNCXJJFZFFBHKN-UHFFFAOYSA-N 1 0 365.481 2.487 20 30 FEEDRO C[C@H]1CN(c2c(C#N)cnc3ccc(OC(F)F)cc32)CC[N@@H+]1CCO ZINC000302474340 553717834 /nfs/dbraw/zinc/71/78/34/553717834.db2.gz WMCUVCTZDGXBNN-LBPRGKRZSA-N 1 0 362.380 2.211 20 30 FEEDRO C[C@H]1CN(c2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)CC[N@@H+]1CC(C)(C)O ZINC000302467575 553718076 /nfs/dbraw/zinc/71/80/76/553718076.db2.gz BWMMZUQOWDFALS-ZDUSSCGKSA-N 1 0 369.425 2.296 20 30 FEEDRO CCOCCCNC(=[NH2+])NCCc1nc(-c2ccc(Cl)cc2)no1 ZINC000304482581 553747621 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2.164 20 30 FEEDRO CC[C@H](C(=O)N[C@H]1CCCN(c2cccnc2)C1=O)N1CCO[C@H](CC)C1 ZINC000328764893 553818841 /nfs/dbraw/zinc/81/88/41/553818841.db2.gz GPVDWOQOONLHSP-FGTMMUONSA-N 1 0 374.485 2.423 20 30 FEEDRO CC(C)C(=O)N1CCC(NC(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)CC1 ZINC000328770836 553819862 /nfs/dbraw/zinc/81/98/62/553819862.db2.gz AIGZBODFPQXOON-QGZVFWFLSA-N 1 0 364.534 2.211 20 30 FEEDRO C[C@@H]1CN(C(=O)Nc2ccc3nc(N4CCOCC4)oc3c2)C[C@@H]1[NH+](C)C ZINC000328799710 553824132 /nfs/dbraw/zinc/82/41/32/553824132.db2.gz HMGWEUZRLVVVTB-CJNGLKHVSA-N 1 0 373.457 2.092 20 30 FEEDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)N[C@@H]1CCCC12CCOCC2 ZINC000328819715 553827214 /nfs/dbraw/zinc/82/72/14/553827214.db2.gz ONUIGLUXKVHRPK-SJLPKXTDSA-N 1 0 365.518 2.435 20 30 FEEDRO CN1CCO[C@@H]2CCN(C(=O)Nc3nc4c(s3)CCCCC4)C[C@H]21 ZINC000328827532 553829101 /nfs/dbraw/zinc/82/91/01/553829101.db2.gz ILYNGEDTDVEDMY-ZIAGYGMSSA-N 1 0 350.488 2.362 20 30 FEEDRO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CC[C@H](N2CCCC2=O)C1 ZINC000328835520 553829884 /nfs/dbraw/zinc/82/98/84/553829884.db2.gz MJLPOXRJPOJMKI-RXCRORICSA-N 1 0 360.502 2.002 20 30 FEEDRO C[NH+]1CCN(c2cc(CNC(=O)c3cccc4c3OCCO4)ccn2)CC1 ZINC000328953248 553852416 /nfs/dbraw/zinc/85/24/16/553852416.db2.gz IDTCLADMRRVPEE-UHFFFAOYSA-N 1 0 368.437 2.109 20 30 FEEDRO Cn1nccc1[C@@H]1OCC[C@H]1C[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000328959421 553853909 /nfs/dbraw/zinc/85/39/09/553853909.db2.gz OZALPEHJRUURLD-SESVDKBCSA-N 1 0 365.481 2.380 20 30 FEEDRO CN1CCO[C@H]2CCN(C(=O)Nc3csc(-c4ccccn4)n3)C[C@@H]21 ZINC000328978023 553857422 /nfs/dbraw/zinc/85/74/22/553857422.db2.gz QOBZCQQJDUWVSW-KBPBESRZSA-N 1 0 359.455 2.156 20 30 FEEDRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(C)(C)c2cc(F)cc(C#N)c2)C1 ZINC000506008907 561687160 /nfs/dbraw/zinc/68/71/60/561687160.db2.gz FLEWYRXKDWFZRD-GOSISDBHSA-N 1 0 361.461 2.448 20 30 FEEDRO Cn1nccc1[C@H]1[C@H](C(=O)NCC2([NH+](C)C)CCC2)CCC(=O)N1C1CC1 ZINC000329006557 553863393 /nfs/dbraw/zinc/86/33/93/553863393.db2.gz NBAZZCFZBHZZJX-CRAIPNDOSA-N 1 0 373.501 2.303 20 30 FEEDRO CO[C@H]1C[C@@H](CN(C)CC(=O)Nc2ccc3c(c2)OCCCO3)[N@H+](C)C1 ZINC000329053116 553872139 /nfs/dbraw/zinc/87/21/39/553872139.db2.gz XAQQAMTUEZHYEF-HOTGVXAUSA-N 1 0 363.458 2.087 20 30 FEEDRO CCC[NH+]1CCC(NC(=O)N[C@@H](c2nc(C)no2)C2CCOCC2)CC1 ZINC000329096276 553879385 /nfs/dbraw/zinc/87/93/85/553879385.db2.gz YBNDEVOTZJLFNF-MRXNPFEDSA-N 1 0 365.478 2.224 20 30 FEEDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2CCOC[C@@H]2[C@@H]2CCC[C@@H]2O)C1 ZINC000329094989 553879595 /nfs/dbraw/zinc/87/95/95/553879595.db2.gz XSQIHNAQZDWIEE-HCXYKTFWSA-N 1 0 367.534 2.130 20 30 FEEDRO CS[C@H]1CN(C(=O)Nc2ccc3c(c2F)CCNC3=O)C[C@H]1[NH+](C)C ZINC000329098376 553879879 /nfs/dbraw/zinc/87/98/79/553879879.db2.gz YSRNCSPUDOMJAZ-KGLIPLIRSA-N 1 0 366.462 2.209 20 30 FEEDRO C[C@@H]1CCC[C@](CNC(=O)N[C@@H]2CCO[C@@]3(CCOC3)C2)([NH+](C)C)C1 ZINC000329111292 553881960 /nfs/dbraw/zinc/88/19/60/553881960.db2.gz JZJNRRSQFRGQSY-FPAYPSAMSA-N 1 0 353.507 2.339 20 30 FEEDRO CN(C)C(=O)c1cccc(C(=O)NCC2([NH+]3CCCC3)CCOCC2)c1 ZINC000329124251 553884787 /nfs/dbraw/zinc/88/47/87/553884787.db2.gz XMVCHKBORAGMER-UHFFFAOYSA-N 1 0 359.470 2.338 20 30 FEEDRO CNC(=O)[C@H]1C[N@H+](Cc2csc(N(C)C3CC3)n2)C[C@@H]1c1cnn(C)c1 ZINC000329133922 553886519 /nfs/dbraw/zinc/88/65/19/553886519.db2.gz PWPSKHGIXKERBT-CVEARBPZSA-N 1 0 374.514 2.277 20 30 FEEDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@H]2CC(=O)N(C3CCCCC3)C2)C1 ZINC000329155820 553890917 /nfs/dbraw/zinc/89/09/17/553890917.db2.gz VKPJYNKFGLIVAC-HOTGVXAUSA-N 1 0 350.507 2.108 20 30 FEEDRO C[C@]1(O)CCOC[C@@H]1[C@@H]1CCCN1C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000329157121 553891610 /nfs/dbraw/zinc/89/16/10/553891610.db2.gz CGYAAIMJJYFLME-XSYGEPLQSA-N 1 0 365.518 2.169 20 30 FEEDRO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC(CNC(=O)c2ccccn2)CC1 ZINC000329198427 553900507 /nfs/dbraw/zinc/90/05/07/553900507.db2.gz WOTDMOVTBPVOGL-SFHVURJKSA-N 1 0 358.486 2.499 20 30 FEEDRO Cc1cccc(C)c1NCC(=O)NC1CC[NH+]([C@H]2CCN(C)C2=O)CC1 ZINC000329201646 553900903 /nfs/dbraw/zinc/90/09/03/553900903.db2.gz WQWIGTGQHZPEBY-KRWDZBQOSA-N 1 0 358.486 2.367 20 30 FEEDRO Cc1cc2c(cc1C)O[C@H](C(=O)NC1CC[NH+]([C@@H]3CCN(C)C3=O)CC1)C2 ZINC000329211111 553903108 /nfs/dbraw/zinc/90/31/08/553903108.db2.gz ZWFIMDFDLADLON-MJGOQNOKSA-N 1 0 371.481 2.259 20 30 FEEDRO N#Cc1ccc(N2CCN(C(=O)[C@H]3CCCC[N@@H+]3C3CCCC3)CC2)nc1 ZINC000329214020 553903677 /nfs/dbraw/zinc/90/36/77/553903677.db2.gz KLJDNWSHURHBOJ-LJQANCHMSA-N 1 0 367.497 2.399 20 30 FEEDRO C[C@H](C[NH+]1CCCCC1)NC(=O)N[C@@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000329237927 553908366 /nfs/dbraw/zinc/90/83/66/553908366.db2.gz PHLXLRLBWBMIMS-IAGOWNOFSA-N 1 0 365.522 2.045 20 30 FEEDRO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCN(S(=O)(=O)C2CC2)C1 ZINC000329255183 553911612 /nfs/dbraw/zinc/91/16/12/553911612.db2.gz DHGYOCATBKXESX-GDBMZVCRSA-N 1 0 357.520 2.162 20 30 FEEDRO C[C@H](NC(=O)N1CC[S@](=O)[C@H](C)[C@@H]1C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000329280831 553916634 /nfs/dbraw/zinc/91/66/34/553916634.db2.gz DUFHNDMOGAGOPZ-LBTFIDRMSA-N 1 0 355.548 2.395 20 30 FEEDRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)N1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000329294144 553919231 /nfs/dbraw/zinc/91/92/31/553919231.db2.gz RUWGQFKTAYUSBK-GDBMZVCRSA-N 1 0 358.490 2.292 20 30 FEEDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NCC(=O)N1CCCc2ccccc21 ZINC000329296534 553919796 /nfs/dbraw/zinc/91/97/96/553919796.db2.gz SVSQDVGTBJHVBU-SJLPKXTDSA-N 1 0 370.497 2.438 20 30 FEEDRO Cc1nnc2n1C[C@H](CNC([O-])=[NH+][C@H](C)[C@H]1CCC[N@@H+](C3CCC3)C1)CC2 ZINC000329299801 553920542 /nfs/dbraw/zinc/92/05/42/553920542.db2.gz MDBHZADOLNOCMG-PVAVHDDUSA-N 1 0 374.533 2.306 20 30 FEEDRO CC[N@@H+]1CCC[C@H](CNC(=O)NC2CCN(c3nccs3)CC2)C1 ZINC000329311557 553923011 /nfs/dbraw/zinc/92/30/11/553923011.db2.gz RESIOZAHHSMMLQ-CQSZACIVSA-N 1 0 351.520 2.347 20 30 FEEDRO CCn1cc([C@H]2OCC[C@@H]2NC(=O)N2CC[C@H]([NH+]3CCCC3)[C@H]2C)cn1 ZINC000329376996 553934378 /nfs/dbraw/zinc/93/43/78/553934378.db2.gz LTEMUIDEDDLWED-LAVFITLUSA-N 1 0 361.490 2.206 20 30 FEEDRO C[NH+](C)C1(CNC(=O)N2CCO[C@@H](Cn3cccn3)C2)CCCCCC1 ZINC000329440869 553948060 /nfs/dbraw/zinc/94/80/60/553948060.db2.gz KVQBBHSCXUFJGG-QGZVFWFLSA-N 1 0 363.506 2.153 20 30 FEEDRO Cc1cc(N2CCC[C@H](NC(=O)N(C)C3C[C@H]4CC[C@@H](C3)[N@H+]4C)C2)n(C)n1 ZINC000329480381 553954586 /nfs/dbraw/zinc/95/45/86/553954586.db2.gz CXMXKWPPIRPUCU-XNHLSEOASA-N 1 0 374.533 2.168 20 30 FEEDRO C[C@H](NC(=O)N1CCC(CC[NH+]2CCOCC2)CC1)[C@@H]1CCCOC1 ZINC000329528071 553962062 /nfs/dbraw/zinc/96/20/62/553962062.db2.gz UMWXQOQCUJXHRS-FUHWJXTLSA-N 1 0 353.507 2.150 20 30 FEEDRO CCn1cc([C@H]2OCC[C@@H]2NC(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C)cn1 ZINC000329524803 553962209 /nfs/dbraw/zinc/96/22/09/553962209.db2.gz SHQBFPCQXSRZFS-NRSFXHEJSA-N 1 0 361.490 2.206 20 30 FEEDRO CC1(C)CN(C(=O)NCC2([NH+]3CCCC3)CCOCC2)[C@@H]1[C@@H]1CCCO1 ZINC000329604152 553975647 /nfs/dbraw/zinc/97/56/47/553975647.db2.gz LRCJDTFJNUZPRS-DLBZAZTESA-N 1 0 365.518 2.435 20 30 FEEDRO C[C@@H]1CN(C(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)C[C@H](C)S1(=O)=O ZINC000329625532 553978939 /nfs/dbraw/zinc/97/89/39/553978939.db2.gz SUWZGTWWXMAWJR-UXLLHSPISA-N 1 0 371.547 2.205 20 30 FEEDRO Cn1cnc2c(c1=O)CCN(CC(=O)NC1(c3ccccc3)CCC1)C2 ZINC000329661857 553984692 /nfs/dbraw/zinc/98/46/92/553984692.db2.gz PCYCLQPKOPSOTL-UHFFFAOYSA-N 1 0 352.438 2.174 20 30 FEEDRO C[C@@H](NC(=O)CN1CCCCCC1=O)C1([NH+]2CCOCC2)CCCC1 ZINC000329667879 553985291 /nfs/dbraw/zinc/98/52/91/553985291.db2.gz QSJPUQYUYUKLRI-MRXNPFEDSA-N 1 0 351.491 2.379 20 30 FEEDRO CC1CC[NH+](C[C@H](O)CNC(=O)Cc2cc(F)cc3c2OCOC3)CC1 ZINC000329673559 553986539 /nfs/dbraw/zinc/98/65/39/553986539.db2.gz VABLCSILCLLJNJ-QGZVFWFLSA-N 1 0 366.433 2.284 20 30 FEEDRO CC[C@@H]1CN(C(=O)N[C@@H]2CCC(=O)N[C@H]2C(C)(C)C)CC[N@@H+]1C[C@@H](C)O ZINC000329695823 553990720 /nfs/dbraw/zinc/99/07/20/553990720.db2.gz DGFRNXUVBISMKG-KCYZZUKISA-N 1 0 368.522 2.211 20 30 FEEDRO O=C(NC1CCC2(CC1)NC(=O)NC2=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000329699039 553991045 /nfs/dbraw/zinc/99/10/45/553991045.db2.gz FZQIKOTXLKJVDB-FVRSWCFKSA-N 1 0 363.462 2.026 20 30 FEEDRO C[C@@H]1C[C@@H](NC(=O)CN2C(=O)Cn3c(cc4ccccc43)C2=O)CC[N@@H+]1C ZINC000329721290 553995270 /nfs/dbraw/zinc/99/52/70/553995270.db2.gz NBFJWYFOFNIFKA-HIFRSBDPSA-N 1 0 368.437 2.063 20 30 FEEDRO CC(C)(C)n1cnc(NC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000329731469 553996737 /nfs/dbraw/zinc/99/67/37/553996737.db2.gz GRDPZBOKCSQCJH-UHFFFAOYSA-N 1 0 357.462 2.671 20 30 FEEDRO C[C@H](NC(=O)N1CCC[C@H](S(C)(=O)=O)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000329752302 554000085 /nfs/dbraw/zinc/00/00/85/554000085.db2.gz WEPCUBGGRTXPGW-UXLLHSPISA-N 1 0 371.547 2.062 20 30 FEEDRO C[C@H](CCNC(=O)N1CCO[C@@](C)(c2cnn(C)c2)C1)[NH+]1CCCCC1 ZINC000329759183 554001078 /nfs/dbraw/zinc/00/10/78/554001078.db2.gz ONMRAIWQJGHKDR-VQIMIIECSA-N 1 0 363.506 2.146 20 30 FEEDRO C[N@@H+]1CC[C@H](NC(=O)N2CCC[C@@H]2[C@@H]2COCC[C@@H]2O)[C@@H]1c1ccccc1 ZINC000329761661 554001143 /nfs/dbraw/zinc/00/11/43/554001143.db2.gz RSFXGCKGPGOHSH-KNJMJIDISA-N 1 0 373.497 2.208 20 30 FEEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N2CCO[C@]3(CCOC3)C2)C1 ZINC000329865354 554021567 /nfs/dbraw/zinc/02/15/67/554021567.db2.gz AEVLXJISLQDNDN-IMFGXOCKSA-N 1 0 359.470 2.227 20 30 FEEDRO CC[NH+]1CCC(NC(=O)CN2CCO[C@H](c3nnc(C(C)C)o3)C2)CC1 ZINC000329893435 554025862 /nfs/dbraw/zinc/02/58/62/554025862.db2.gz AQIREDDUQSYIFD-HNNXBMFYSA-N 1 0 365.478 2.007 20 30 FEEDRO CC(C)c1nnc([C@@H]2CN(C(=O)NC3CC[NH+](C4CC4)CC3)CCO2)o1 ZINC000329894743 554026201 /nfs/dbraw/zinc/02/62/01/554026201.db2.gz BPAFIJHULRFTRU-HNNXBMFYSA-N 1 0 363.462 2.107 20 30 FEEDRO C[C@@H]1OCC[C@]12CN(C(=O)NCC1([NH+](C)C)CCCCCC1)CCO2 ZINC000329895423 554026494 /nfs/dbraw/zinc/02/64/94/554026494.db2.gz BWIQRQDWVLEIIE-LPHOPBHVSA-N 1 0 353.507 2.435 20 30 FEEDRO CC(=O)N[C@H](CC1CCC1)C(=O)N1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000329894601 554026563 /nfs/dbraw/zinc/02/65/63/554026563.db2.gz KAMVDBHBQRNTEL-KBXCAEBGSA-N 1 0 351.491 2.233 20 30 FEEDRO C[C@@H](NC(=O)N1C[C@@H](C)O[C@@]2(CCOC2)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000329947562 554036559 /nfs/dbraw/zinc/03/65/59/554036559.db2.gz HBTNFDNVMFLGCQ-VIPLHTEESA-N 1 0 365.518 2.433 20 30 FEEDRO CN1CC[NH+](CCC(C)(C)NC(=O)CN2Cc3ccccc3C2=O)CC1 ZINC000329990047 554045107 /nfs/dbraw/zinc/04/51/07/554045107.db2.gz IQZZMQZCQLSWLG-UHFFFAOYSA-N 1 0 358.486 2.015 20 30 FEEDRO CO[C@@H]1CC[C@H](NC(=O)N(C)C[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)C1 ZINC000329991249 554045871 /nfs/dbraw/zinc/04/58/71/554045871.db2.gz WUKGOLACPFZRCQ-DZJNRPSUSA-N 1 0 363.506 2.216 20 30 FEEDRO C[C@@]1(C(N)=O)CCN(C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)C1 ZINC000329999750 554047013 /nfs/dbraw/zinc/04/70/13/554047013.db2.gz VGRCPOWDRQBCOM-GOSISDBHSA-N 1 0 366.506 2.430 20 30 FEEDRO C[C@H](CCNC(=O)N1C[C@@]2(CCOC2)OC(C)(C)C1)[NH+]1CCCCC1 ZINC000330000144 554047410 /nfs/dbraw/zinc/04/74/10/554047410.db2.gz VZNMKPOGFPDVMN-VQIMIIECSA-N 1 0 353.507 2.435 20 30 FEEDRO NC(=O)NC[C@H]1CCCN(C(=O)NC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000330021647 554050568 /nfs/dbraw/zinc/05/05/68/554050568.db2.gz YEMWJRJESWCSKK-OAHLLOKOSA-N 1 0 365.522 2.492 20 30 FEEDRO C[NH+](C)[C@@]1(CNC(=O)C2CCC3(CC2)NC(=O)NC3=O)CCSC1 ZINC000330049544 554054820 /nfs/dbraw/zinc/05/48/20/554054820.db2.gz KXQKHAGSDOARGD-YWCUFVOSSA-N 1 0 354.476 2.193 20 30 FEEDRO C[NH+](C)[C@]1(CNC(=O)C2CCN(C(=O)N3CCCC3)CC2)CCSC1 ZINC000330056040 554056091 /nfs/dbraw/zinc/05/60/91/554056091.db2.gz VFZBBYHETVAZQX-SFHVURJKSA-N 1 0 368.547 2.308 20 30 FEEDRO CCO[C@@H]1C[C@H](O)C12CCN(C(=O)NCC1([NH+](C)C)CCCC1)CC2 ZINC000330062232 554057642 /nfs/dbraw/zinc/05/76/42/554057642.db2.gz AOEWRGCKYWFRLA-JKSUJKDBSA-N 1 0 353.507 2.027 20 30 FEEDRO CN1CC[N@H+](C)C[C@H]1CNC(=O)N[C@@H]1CC(C)(C)Oc2cc(F)ccc21 ZINC000330081352 554061244 /nfs/dbraw/zinc/06/12/44/554061244.db2.gz PNOWTDMRDRZPKB-GDBMZVCRSA-N 1 0 364.465 2.177 20 30 FEEDRO Cc1cc(NC(=O)c2cccc(CN3CC[NH+](C)CC3)c2)c(=O)n(C)c1 ZINC000330132568 554070731 /nfs/dbraw/zinc/07/07/31/554070731.db2.gz QMFXPORKPJMZSJ-UHFFFAOYSA-N 1 0 354.454 2.077 20 30 FEEDRO CS(=O)(=O)N1CCC[C@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000330142156 554072984 /nfs/dbraw/zinc/07/29/84/554072984.db2.gz JVIVWVQBQGTYEM-GJZGRUSLSA-N 1 0 357.520 2.022 20 30 FEEDRO CC(C)N(C)c1cnn([C@H]2CCCN([C@H](C)C(=O)NC3CC3)C2)c(=O)c1 ZINC000330176526 554078902 /nfs/dbraw/zinc/07/89/02/554078902.db2.gz KAAOAYHQWXGTTI-ZBFHGGJFSA-N 1 0 361.490 2.232 20 30 FEEDRO C[C@@H](C(=O)NC1CC1)[N@@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3cnccn3)no2)C1 ZINC000330182582 554080191 /nfs/dbraw/zinc/08/01/91/554080191.db2.gz PAZFEERKDYXRHO-XEKQOVJPSA-N 1 0 368.441 2.388 20 30 FEEDRO Cc1cc(C)cc(OCCNC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)c1 ZINC000330195153 554082270 /nfs/dbraw/zinc/08/22/70/554082270.db2.gz PBRBMVSYCHLZSK-SFHVURJKSA-N 1 0 361.486 2.250 20 30 FEEDRO O=C(NCCc1ccc2ccccc2n1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000330196177 554083008 /nfs/dbraw/zinc/08/30/08/554083008.db2.gz PVFYEWRKKFBGJX-KRWDZBQOSA-N 1 0 368.481 2.345 20 30 FEEDRO CC(C)[C@H]1OCC[C@H]1CNC(=O)NCC(C)(C)N1C[C@@H](C)O[C@H](C)C1 ZINC000330209131 554085764 /nfs/dbraw/zinc/08/57/64/554085764.db2.gz HGXGAINKQFSAEM-WCXIOVBPSA-N 1 0 355.523 2.439 20 30 FEEDRO C[C@H](NC(=O)CN1CCOC[C@H](C2CCC2)C1)C(=O)N1CCCCC1 ZINC000330230884 554089181 /nfs/dbraw/zinc/08/91/81/554089181.db2.gz DSQGTEXCEYTHIZ-DOTOQJQBSA-N 1 0 351.491 2.092 20 30 FEEDRO CC(C)N1C[C@H](NC(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)CC1=O ZINC000330232943 554089970 /nfs/dbraw/zinc/08/99/70/554089970.db2.gz FSGJTJHOMTUZRZ-MSOLQXFVSA-N 1 0 358.486 2.336 20 30 FEEDRO O=C(Nc1nccn1-c1ccccc1)N1CCC[C@H]1CN1CCOCC1 ZINC000330236104 554090473 /nfs/dbraw/zinc/09/04/73/554090473.db2.gz HDGGIIFQELJLAX-KRWDZBQOSA-N 1 0 355.442 2.214 20 30 FEEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N[C@H]2CC(=O)N(C3CC3)C2)C1 ZINC000330248004 554092831 /nfs/dbraw/zinc/09/28/31/554092831.db2.gz LZSBUNJMLDXJQA-PVAVHDDUSA-N 1 0 356.470 2.089 20 30 FEEDRO CC(C)N1C[C@H](NC(=O)N[C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)CC1=O ZINC000330253913 554093377 /nfs/dbraw/zinc/09/33/77/554093377.db2.gz OYCHZDNOYWKWHR-BPQIPLTHSA-N 1 0 358.486 2.335 20 30 FEEDRO Cc1nc(CCNC(=O)N2CC[N@H+](C3CCOCC3)C[C@H]2C)cs1 ZINC000330258663 554094683 /nfs/dbraw/zinc/09/46/83/554094683.db2.gz MRQBGSUQQFNTKW-CYBMUJFWSA-N 1 0 352.504 2.093 20 30 FEEDRO C[C@H](CNC(=O)N1CCC[C@@H](Oc2ncccc2F)C1)[N@H+](C)C1CC1 ZINC000330273853 554097395 /nfs/dbraw/zinc/09/73/95/554097395.db2.gz ZUYVWXMXKKELGY-UKRRQHHQSA-N 1 0 350.438 2.461 20 30 FEEDRO CN1C(=O)CO[C@H](C(=O)NCC[NH+]2CCCCCC2)[C@H]1c1ccccc1 ZINC000330315855 554104210 /nfs/dbraw/zinc/10/42/10/554104210.db2.gz YZQXMQKOMWKUGO-MOPGFXCFSA-N 1 0 359.470 2.417 20 30 FEEDRO COC(=O)c1cc(NC(=O)N2C[C@H](SC)[C@@H]([NH+](C)C)C2)ccc1C ZINC000330835404 554177425 /nfs/dbraw/zinc/17/74/25/554177425.db2.gz WSKDZJNHBFNZFN-GJZGRUSLSA-N 1 0 351.472 2.305 20 30 FEEDRO CC(C)CNC(=O)N1CCC[C@@H](CC(=O)N2CC[NH+](CC(C)C)CC2)C1 ZINC000330893430 554184123 /nfs/dbraw/zinc/18/41/23/554184123.db2.gz DSTFQBCSVDWFGG-SFHVURJKSA-N 1 0 366.550 2.459 20 30 FEEDRO CCOc1ccc(C(=O)N(C)C)cc1NC(=O)N1CC[N@H+](C)[C@@H](C)[C@H]1C ZINC000330895580 554184560 /nfs/dbraw/zinc/18/45/60/554184560.db2.gz SBRQSRONVZTJJA-UONOGXRCSA-N 1 0 362.474 2.357 20 30 FEEDRO COc1cc(NC(=O)N2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)ccc1OC(C)C ZINC000330975583 554196228 /nfs/dbraw/zinc/19/62/28/554196228.db2.gz HGWOVTXBWRHFII-HUUCEWRRSA-N 1 0 365.474 2.415 20 30 FEEDRO CC(C)NC(=O)NC1(C(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)CCCCC1 ZINC000331007902 554200442 /nfs/dbraw/zinc/20/04/42/554200442.db2.gz QOYJKNHAGVNWOK-MRXNPFEDSA-N 1 0 352.523 2.402 20 30 FEEDRO C[C@H]1CC(C)(C)C[C@](CO)([NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000331099126 554212382 /nfs/dbraw/zinc/21/23/82/554212382.db2.gz CAENOMULJWEFIO-HNAYVOBHSA-N 1 0 364.511 2.499 20 30 FEEDRO C[C@H](COc1cccc(F)c1)NC(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C ZINC000331217830 554232558 /nfs/dbraw/zinc/23/25/58/554232558.db2.gz GQZXXGQKRZVPFH-CABCVRRESA-N 1 0 367.465 2.284 20 30 FEEDRO CC(C)c1nn(C)cc1NC(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000331254655 554237024 /nfs/dbraw/zinc/23/70/24/554237024.db2.gz XMXBFBHOZFNGEX-AWEZNQCLSA-N 1 0 351.495 2.114 20 30 FEEDRO CCOC(=O)[C@]1(C(C)C)CCN(C(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)C1 ZINC000331282538 554241281 /nfs/dbraw/zinc/24/12/81/554241281.db2.gz DLEFSDCYYHIYCD-HNAYVOBHSA-N 1 0 351.491 2.462 20 30 FEEDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NS(=O)(=O)Cc1cc(C#N)ccc1F ZINC000331290634 554242521 /nfs/dbraw/zinc/24/25/21/554242521.db2.gz KFQRQACNMGLNDH-ZIAGYGMSSA-N 1 0 353.463 2.237 20 30 FEEDRO CN(C)C(=O)C1(CNC(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)CCCC1 ZINC000331319014 554246585 /nfs/dbraw/zinc/24/65/85/554246585.db2.gz KLWRBPHRRWZLRI-OAHLLOKOSA-N 1 0 352.523 2.259 20 30 FEEDRO Cc1nc(C(=O)NCC2CC[NH+](CCO)CC2)c(Br)s1 ZINC000331353775 554249816 /nfs/dbraw/zinc/24/98/16/554249816.db2.gz PDSSYAJKIAEHAX-UHFFFAOYSA-N 1 0 362.293 2.223 20 30 FEEDRO C=CCn1c(CC2CC2)nnc1N1CCN(c2cc[nH+]cc2OC)CC1 ZINC000508882371 561776610 /nfs/dbraw/zinc/77/66/10/561776610.db2.gz WVJZYKQRZVAWGD-UHFFFAOYSA-N 1 0 354.458 2.147 20 30 FEEDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1ccc(-n2ncc(C#N)c2N)cc1 ZINC000331872035 554335855 /nfs/dbraw/zinc/33/58/55/554335855.db2.gz HDGXLNSFGZAJQJ-AWEZNQCLSA-N 1 0 366.469 2.128 20 30 FEEDRO C=CCOc1ccc(CNC(=O)NC[C@@H](O)C[NH+]2CCC(C)CC2)cc1 ZINC000509340661 561795740 /nfs/dbraw/zinc/79/57/40/561795740.db2.gz BJVZDFWSDBWLHL-GOSISDBHSA-N 1 0 361.486 2.143 20 30 FEEDRO CC[NH+](CC)CCN(Cc1cccs1)S(=O)(=O)N(C)[C@@H](C)CC#N ZINC000509405961 561798231 /nfs/dbraw/zinc/79/82/31/561798231.db2.gz VVSWYDGPISHPDW-HNNXBMFYSA-N 1 0 372.560 2.371 20 30 FEEDRO C[C@@H]1CCCC[N@@H+]1CCC(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 ZINC000332045237 554369344 /nfs/dbraw/zinc/36/93/44/554369344.db2.gz VOPOAMNASZCGHG-UYAOXDASSA-N 1 0 354.498 2.487 20 30 FEEDRO C[C@@H]([NH2+][C@@H]1CCC(=O)N(C)[C@H]1c1ccnn1C)c1ccc(C#N)cc1F ZINC000332057761 554371549 /nfs/dbraw/zinc/37/15/49/554371549.db2.gz OSXYZKUJZLUMGE-SMNXXWJPSA-N 1 0 355.417 2.444 20 30 FEEDRO CCN(CC[NH+]1CCCCCC1)C(=O)C(=O)N1CCc2ccc(C#N)cc21 ZINC000509759912 561813025 /nfs/dbraw/zinc/81/30/25/561813025.db2.gz QOCPRJYQIILKJI-UHFFFAOYSA-N 1 0 368.481 2.172 20 30 FEEDRO N#Cc1cc(S(=O)(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)ccc1C(F)(F)F ZINC000332322167 554425163 /nfs/dbraw/zinc/42/51/63/554425163.db2.gz ZUFBUWNETWDOTJ-GJZGRUSLSA-N 1 0 373.400 2.482 20 30 FEEDRO C[C@@H]1CN([C@H](C(N)=O)c2ccc(C#N)cc2)CCN1C1CC[NH+](C)CC1 ZINC000332402304 554439741 /nfs/dbraw/zinc/43/97/41/554439741.db2.gz WBLQSKJPHKCEPK-BEFAXECRSA-N 1 0 355.486 2.235 20 30 FEEDRO C=CC[C@@H]1N(C(=O)C(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)CCCC1(C)C ZINC000332412701 554441812 /nfs/dbraw/zinc/44/18/12/554441812.db2.gz OXTFPFNUFTXAEA-KSZLIROESA-N 1 0 361.530 2.428 20 30 FEEDRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000332515839 554460432 /nfs/dbraw/zinc/46/04/32/554460432.db2.gz AAUGWZQQQMERRN-CJNGLKHVSA-N 1 0 361.877 2.041 20 30 FEEDRO Cc1ccccc1[C@H]1CC[N@@H+](CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)C1 ZINC000332669019 554493940 /nfs/dbraw/zinc/49/39/40/554493940.db2.gz MPTHQFGRRFPGDP-FPOVZHCZSA-N 1 0 368.525 2.477 20 30 FEEDRO CC[C@H](CNC(=O)N=c1[nH]n(C)cc1C#N)[N@@H+]1CCc2ccccc2C1 ZINC000610564648 554529970 /nfs/dbraw/zinc/52/99/70/554529970.db2.gz SRQWFIZJUDIYKG-QGZVFWFLSA-N 1 0 352.442 2.250 20 30 FEEDRO N#Cc1cnc2c(F)c(F)c(F)cc2c1N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000333545042 554622700 /nfs/dbraw/zinc/62/27/00/554622700.db2.gz OKLQGVQPFAOQRZ-GFCCVEGCSA-N 1 0 361.371 2.008 20 30 FEEDRO CN1CC[NH+](CC2(C)CCN(C(=O)[C@@]3(C#N)CC34CCCC4)CC2)CC1 ZINC000333693145 554634162 /nfs/dbraw/zinc/63/41/62/554634162.db2.gz MSZWUUBXUQTWSN-NRFANRHFSA-N 1 0 358.530 2.337 20 30 FEEDRO C[C@H]1[NH2+]CCN(C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)[C@H]1C ZINC000333822685 554646857 /nfs/dbraw/zinc/64/68/57/554646857.db2.gz RLIMUJAVNNIJKS-VBJONLRCSA-N 1 0 357.458 2.035 20 30 FEEDRO C=CCOC[C@@H]1NC(=O)N(C[C@]2(C)CCC[N@@H+]2Cc2ccccc2)C1=O ZINC000348391851 554683974 /nfs/dbraw/zinc/68/39/74/554683974.db2.gz RBHBICAESHCREQ-PXNSSMCTSA-N 1 0 357.454 2.164 20 30 FEEDRO C[NH+](C)C1CCN(C(=O)Cc2noc(/C=C/c3ccccc3C#N)n2)CC1 ZINC000350919366 554822213 /nfs/dbraw/zinc/82/22/13/554822213.db2.gz YMVUNQKGGKWEOC-BQYQJAHWSA-N 1 0 365.437 2.207 20 30 FEEDRO C=CCN([C@@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)C[C@@H]1CCOC1 ZINC000359912235 554856962 /nfs/dbraw/zinc/85/69/62/554856962.db2.gz YTURMLCUVVQKFN-RTBURBONSA-N 1 0 364.511 2.115 20 30 FEEDRO N#CCCN(CCC#N)C(=O)C[N@@H+]1CCC[C@@H](COc2ccccc2)C1 ZINC000361503388 554922211 /nfs/dbraw/zinc/92/22/11/554922211.db2.gz MKYPZVQZFVCPNH-GOSISDBHSA-N 1 0 354.454 2.433 20 30 FEEDRO N#Cc1cccnc1N1CCCN(C[C@@H](O)c2cc(F)ccc2F)CC1 ZINC000361638081 554927702 /nfs/dbraw/zinc/92/77/02/554927702.db2.gz YCZNHGJOQKALLU-GOSISDBHSA-N 1 0 358.392 2.477 20 30 FEEDRO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)[C@@]2(C#N)CCc3ccccc3C2)CC1 ZINC000362026167 554944943 /nfs/dbraw/zinc/94/49/43/554944943.db2.gz VJQFOLHDOYMAHA-VGSWGCGISA-N 1 0 369.509 2.236 20 30 FEEDRO C[C@H]([NH2+]C[C@]1(N2CCOCC2)CCCOC1)c1ccc(OCC#N)cc1 ZINC000362043443 554945963 /nfs/dbraw/zinc/94/59/63/554945963.db2.gz XDWPWAFXWUULMH-FXAWDEMLSA-N 1 0 359.470 2.121 20 30 FEEDRO COC(=O)c1ccoc1CC1CC[NH+]([C@H](C)C(=O)N(C)CCC#N)CC1 ZINC000362660403 554979365 /nfs/dbraw/zinc/97/93/65/554979365.db2.gz XSSDVIMXPKUZGP-CQSZACIVSA-N 1 0 361.442 2.081 20 30 FEEDRO N#CCC[C@H](NC(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1ccccc1 ZINC000362788264 554988596 /nfs/dbraw/zinc/98/85/96/554988596.db2.gz OQRGDWIDNFTIFC-GBESFXJTSA-N 1 0 356.470 2.272 20 30 FEEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000362971807 555004567 /nfs/dbraw/zinc/00/45/67/555004567.db2.gz YXUDMVFURRREMY-RBUKOAKNSA-N 1 0 356.470 2.343 20 30 FEEDRO C=CCN([C@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)Cc1ccon1 ZINC000363127832 555036527 /nfs/dbraw/zinc/03/65/27/555036527.db2.gz GCQFEQXKAIHHDS-SFHVURJKSA-N 1 0 361.467 2.267 20 30 FEEDRO C=C(C)COc1cccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000363457116 555110986 /nfs/dbraw/zinc/11/09/86/555110986.db2.gz INUGJBVCCUPUGB-IAGOWNOFSA-N 1 0 357.454 2.323 20 30 FEEDRO CC[NH+]1CCC(N(C2CC2)S(=O)(=O)c2ccc(F)c(C#N)c2)CC1 ZINC000363657820 555157113 /nfs/dbraw/zinc/15/71/13/555157113.db2.gz GWYJPNBETDYLJE-UHFFFAOYSA-N 1 0 351.447 2.335 20 30 FEEDRO N#Cc1cccnc1N1CCC[N@@H+](C[C@H](O)CCc2ccccc2)CC1 ZINC000363783370 555185424 /nfs/dbraw/zinc/18/54/24/555185424.db2.gz WEMSYVYXOIUOBY-HXUWFJFHSA-N 1 0 350.466 2.459 20 30 FEEDRO C[C@@H]1C[N@@H+](C2CCN(C(=O)C3(c4cc(F)cc(C#N)c4)CC3)CC2)CCO1 ZINC000512135322 561893637 /nfs/dbraw/zinc/89/36/37/561893637.db2.gz IHNLBSWNBDHQIJ-OAHLLOKOSA-N 1 0 371.456 2.441 20 30 FEEDRO C#CCN(C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cnn(C)c1)C1CCCC1 ZINC000363956740 555221446 /nfs/dbraw/zinc/22/14/46/555221446.db2.gz CUPROMHRCATXHB-APWZRJJASA-N 1 0 357.502 2.390 20 30 FEEDRO CC[N@@H+]1CCc2c(cccc2-n2nnc(C(=O)NC3(C#N)CCC3)c2C)C1 ZINC000364174516 555263435 /nfs/dbraw/zinc/26/34/35/555263435.db2.gz GOOYLKFMWARZKS-UHFFFAOYSA-N 1 0 364.453 2.130 20 30 FEEDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)N2CCCN(c3ncccc3C#N)CC2)C1 ZINC000364276772 555283290 /nfs/dbraw/zinc/28/32/90/555283290.db2.gz XRVHYEIXMRXIAA-QZTJIDSGSA-N 1 0 370.501 2.048 20 30 FEEDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CCCN(c2ccc(C#N)cc2)CC1 ZINC000364429231 555312207 /nfs/dbraw/zinc/31/22/07/555312207.db2.gz XJJCCRSOVHQYAE-OXJNMPFZSA-N 1 0 367.497 2.263 20 30 FEEDRO C[C@H]1CN(Cc2ncc(-c3ccc(C#N)cc3)o2)CC[N@@H+]1CC(C)(C)O ZINC000364632365 555358140 /nfs/dbraw/zinc/35/81/40/555358140.db2.gz QJBMBOSWPJMGSO-HNNXBMFYSA-N 1 0 354.454 2.490 20 30 FEEDRO C=CCOc1ccccc1C[NH2+]C[C@H]1CCCC[C@@H]1NS(C)(=O)=O ZINC000512909106 561919445 /nfs/dbraw/zinc/91/94/45/561919445.db2.gz RUZVAASHKSHNDF-WBVHZDCISA-N 1 0 352.500 2.449 20 30 FEEDRO Cn1cc(C[N@H+](C)[C@H]2CCCN(Cc3noc(C4CC4)n3)C2)cc1C#N ZINC000365256328 555524253 /nfs/dbraw/zinc/52/42/53/555524253.db2.gz MLWVLHRUNASRFG-INIZCTEOSA-N 1 0 354.458 2.254 20 30 FEEDRO N#Cc1ccc(SCC(=O)N2CCC[N@@H+](C3CCOCC3)CC2)cc1 ZINC000365402059 555565587 /nfs/dbraw/zinc/56/55/87/555565587.db2.gz YNHNMHIBCDBKNF-UHFFFAOYSA-N 1 0 359.495 2.364 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@]2(N(C)C)CCOc3ccccc32)CC1 ZINC000365529048 555600062 /nfs/dbraw/zinc/60/00/62/555600062.db2.gz SUCLJXLHUJRRRH-NRFANRHFSA-N 1 0 357.498 2.383 20 30 FEEDRO CC[NH+](CC)CC(=O)N1CCN(Cc2cccc(OCCCC#N)c2)CC1 ZINC000513438496 561938287 /nfs/dbraw/zinc/93/82/87/561938287.db2.gz KIOLRMAGIXRBFB-UHFFFAOYSA-N 1 0 372.513 2.355 20 30 FEEDRO N#Cc1ccc(NC(=O)CN2CC[NH+]([C@@H]3CCSC3)CC2)cc1Cl ZINC000365862156 555685861 /nfs/dbraw/zinc/68/58/61/555685861.db2.gz FIQYSZGHJPQOFX-OAHLLOKOSA-N 1 0 364.902 2.273 20 30 FEEDRO C[NH+]1CCC2(CCCN(C(=O)C(=O)Nc3ccc(Cl)c(C#N)c3)C2)CC1 ZINC000366947599 555979072 /nfs/dbraw/zinc/97/90/72/555979072.db2.gz XOJRHMVSBBTCES-UHFFFAOYSA-N 1 0 374.872 2.485 20 30 FEEDRO C=CCc1ccccc1OC[C@H](O)C[NH2+]C[C@@]1(N(C)C)CCSC1 ZINC000514668999 561972949 /nfs/dbraw/zinc/97/29/49/561972949.db2.gz SQSKSQCQGAMPIL-MJGOQNOKSA-N 1 0 350.528 2.182 20 30 FEEDRO C[C@@H](C#N)CN(C)C(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1c1cnn(C)c1 ZINC000367490244 556064538 /nfs/dbraw/zinc/06/45/38/556064538.db2.gz RJUOCIABOPEYSV-DBVUQKKJSA-N 1 0 365.481 2.254 20 30 FEEDRO Cn1cc(N2CC[C@@H]([NH2+]C3CCN(c4ccc(C#N)cc4)CC3)C2)cn1 ZINC000367599582 556093862 /nfs/dbraw/zinc/09/38/62/556093862.db2.gz WPSNCJUROWQAKI-GOSISDBHSA-N 1 0 350.470 2.129 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N2CCC3(C[C@@H]3C(=O)N(C)C3CC3)CC2)CC1 ZINC000367618344 556098288 /nfs/dbraw/zinc/09/82/88/556098288.db2.gz OXFQLQRZPBLMFO-GOSISDBHSA-N 1 0 374.529 2.069 20 30 FEEDRO COc1ccc2c(c1)[C@H]([NH3+])CCN2S(=O)(=O)c1ccc(C#N)c(C)c1 ZINC000367711502 556120752 /nfs/dbraw/zinc/12/07/52/556120752.db2.gz CWAYETRYFVKAFU-QGZVFWFLSA-N 1 0 357.435 2.474 20 30 FEEDRO COC(=O)[C@]12CCC[C@H]1CN([C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N)C2 ZINC000367794135 556141159 /nfs/dbraw/zinc/14/11/59/556141159.db2.gz KRUUVWCMHFDGRT-PJFSTRORSA-N 1 0 359.426 2.370 20 30 FEEDRO C#CCN(Cc1ccccc1)C(=O)NC[C@H]1CCC[C@H]1[NH+]1CCOCC1 ZINC000367884041 556164627 /nfs/dbraw/zinc/16/46/27/556164627.db2.gz FZEJBKNTLRCXNX-WOJBJXKFSA-N 1 0 355.482 2.332 20 30 FEEDRO N#Cc1c(NC(=O)CC[N@H+]2CC[C@@H](CC(N)=O)C2)sc2c1CCCCC2 ZINC000367982270 556187254 /nfs/dbraw/zinc/18/72/54/556187254.db2.gz ISOWZEATLURLLK-ZDUSSCGKSA-N 1 0 374.510 2.415 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)o1 ZINC000368086382 556214927 /nfs/dbraw/zinc/21/49/27/556214927.db2.gz XBMCINGQQMCYQV-DLBZAZTESA-N 1 0 371.462 2.294 20 30 FEEDRO CN1CC[NH+](CC2(C)CCN(C(=O)Nc3cccc(C#N)c3)CC2)CC1 ZINC000368221059 556251745 /nfs/dbraw/zinc/25/17/45/556251745.db2.gz HBAZVGYJMFWXDE-UHFFFAOYSA-N 1 0 355.486 2.440 20 30 FEEDRO C[C@@H](C(=O)NC[C@@H]1COc2ccccc2O1)[NH+]1CCC(CCC#N)CC1 ZINC000515379558 562008055 /nfs/dbraw/zinc/00/80/55/562008055.db2.gz GHBHIOZRMWBOSC-DOTOQJQBSA-N 1 0 357.454 2.347 20 30 FEEDRO COc1cc(C#N)ccc1OCC[N@@H+]1CCC[C@@H](c2ccnc(N)n2)C1 ZINC000368452602 556314051 /nfs/dbraw/zinc/31/40/51/556314051.db2.gz BVNFIMLCGGTGJV-OAHLLOKOSA-N 1 0 353.426 2.197 20 30 FEEDRO N#CC[C@@H]1C[C@H]2[C@H](CCC[C@@H]2[NH2+]Cc2cnc(N3CCOCC3)c(F)c2)O1 ZINC000368630404 556369158 /nfs/dbraw/zinc/36/91/58/556369158.db2.gz DRQCRWXXMZKVKY-FPAYPSAMSA-N 1 0 374.460 2.387 20 30 FEEDRO COC(=O)CN1CCC([NH2+]CC2CCN(c3ccccc3C#N)CC2)CC1 ZINC000368634023 556370112 /nfs/dbraw/zinc/37/01/12/556370112.db2.gz TTWBIXJPMYMWTJ-UHFFFAOYSA-N 1 0 370.497 2.002 20 30 FEEDRO CC1CC[NH+](CC2CCN(CC(=O)N(CCC#N)CCC#N)CC2)CC1 ZINC000368945270 556455556 /nfs/dbraw/zinc/45/55/56/556455556.db2.gz GEEBGBOTWIKGBV-UHFFFAOYSA-N 1 0 359.518 2.086 20 30 FEEDRO N#Cc1ccc(NC(=O)CC[N@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)cc1Cl ZINC000368975636 556464699 /nfs/dbraw/zinc/46/46/99/556464699.db2.gz RSUSGORMQDKHGK-RVSPLBMKSA-N 1 0 360.845 2.126 20 30 FEEDRO CCc1nc(CN2CCC[C@H]([N@H+](C)CCOc3ccccc3C#N)C2)no1 ZINC000369237233 556544777 /nfs/dbraw/zinc/54/47/77/556544777.db2.gz PYGZNOLRBPZSRY-KRWDZBQOSA-N 1 0 369.469 2.479 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N[C@@H](c2noc(C3CC3)n2)c2ccccc2)CC1 ZINC000369296221 556567513 /nfs/dbraw/zinc/56/75/13/556567513.db2.gz ALHRFZPEBVRCBB-GOSISDBHSA-N 1 0 364.449 2.498 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)[C@H]2CCN(c3ccc(Cl)cc3)C2=O)CC1 ZINC000369591824 556641042 /nfs/dbraw/zinc/64/10/42/556641042.db2.gz NAFKZYHAOFPORB-GOSISDBHSA-N 1 0 373.884 2.297 20 30 FEEDRO N#Cc1cccc(NC(=O)C2CCN(C(=O)NCC[C@H]3CCC[NH2+]3)CC2)c1 ZINC000516262911 562037904 /nfs/dbraw/zinc/03/79/04/562037904.db2.gz DXJXQXPYJAJUPK-QGZVFWFLSA-N 1 0 369.469 2.060 20 30 FEEDRO CN(CCC#N)C(=O)CC[N@@H+]1CCOC[C@H]1Cc1c[nH]c2ccccc12 ZINC000369705141 556673314 /nfs/dbraw/zinc/67/33/14/556673314.db2.gz VEHDAUQAUSCENC-QGZVFWFLSA-N 1 0 354.454 2.173 20 30 FEEDRO C[C@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)[NH+]1CCC(n2cnc(C#N)n2)CC1 ZINC000369731310 556679942 /nfs/dbraw/zinc/67/99/42/556679942.db2.gz UPDCLWHROBUQDI-ANQUJSFKSA-N 1 0 358.490 2.116 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)[C@H]2CCC(=O)N(C)[C@@H]2c2cccs2)CC1 ZINC000369755731 556686124 /nfs/dbraw/zinc/68/61/24/556686124.db2.gz ASFZOAQPFVPADF-LPHOPBHVSA-N 1 0 373.522 2.262 20 30 FEEDRO C=CCc1ccc(OC[C@H](O)C[N@H+](C)Cc2cnn(C)c2C)c(OC)c1 ZINC000516390056 562041584 /nfs/dbraw/zinc/04/15/84/562041584.db2.gz SZXHTMSURGFZPR-GOSISDBHSA-N 1 0 359.470 2.337 20 30 FEEDRO CCC[NH+]1CCN(C(=O)[C@@H]2CCCN(c3nc(C)ccc3C#N)C2)CC1 ZINC000369934093 556735063 /nfs/dbraw/zinc/73/50/63/556735063.db2.gz BPYXOALUIGJOJU-GOSISDBHSA-N 1 0 355.486 2.032 20 30 FEEDRO C[C@H](CCNC(=O)N1CCN(C2CC2)[C@H](C#N)C1)[N@H+](C)Cc1ccccc1 ZINC000369986826 556749549 /nfs/dbraw/zinc/74/95/49/556749549.db2.gz PVLVUTHTPGWPOG-YLJYHZDGSA-N 1 0 369.513 2.279 20 30 FEEDRO CC(C)(C)OC(=O)N1CCN2C(NCCCC(F)(F)F)=[NH+]C[C@@H]2C1 ZINC000370376848 556854894 /nfs/dbraw/zinc/85/48/94/556854894.db2.gz HXUBHJFUOCYHRB-LLVKDONJSA-N 1 0 350.385 2.209 20 30 FEEDRO C#CCOc1ccc([C@@H](C)[NH2+]C2CCN(CC(=O)N3CCCC3)CC2)cc1 ZINC000370653405 556931922 /nfs/dbraw/zinc/93/19/22/556931922.db2.gz SGYXZWNGIWABPH-GOSISDBHSA-N 1 0 369.509 2.436 20 30 FEEDRO CN(C)c1cc(C#N)cc(C(=O)Nc2c[nH+]ccc2N2CCN(C)CC2)c1 ZINC000516904286 562063850 /nfs/dbraw/zinc/06/38/50/562063850.db2.gz NCHMGRKYQRIDJT-UHFFFAOYSA-N 1 0 364.453 2.023 20 30 FEEDRO N#CCCN(CCC#N)C(=O)C[N@H+]1CCCC[C@H]1[C@H](O)c1ccccc1 ZINC000370774086 556964163 /nfs/dbraw/zinc/96/41/63/556964163.db2.gz NYKCXQDCNNFUOP-AZUAARDMSA-N 1 0 354.454 2.230 20 30 FEEDRO Cn1cc([C@H]2[C@@H](CNC(=O)CCc3ccc(C#N)cc3)CCC[N@@H+]2C)cn1 ZINC000370905503 557010498 /nfs/dbraw/zinc/01/04/98/557010498.db2.gz PSIDMGXHFBKIMD-WIYYLYMNSA-N 1 0 365.481 2.424 20 30 FEEDRO C[C@H](c1ccc(N2CCCS2(=O)=O)cc1)[N@H+](C)CCOCCC#N ZINC000517043169 562073153 /nfs/dbraw/zinc/07/31/53/562073153.db2.gz IYRJLCNCBPBZII-OAHLLOKOSA-N 1 0 351.472 2.150 20 30 FEEDRO CC(C)(C)NS(=O)(=O)CC[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000517566451 562092576 /nfs/dbraw/zinc/09/25/76/562092576.db2.gz SKMDBURLQVPCBU-UHFFFAOYSA-N 1 0 353.488 2.177 20 30 FEEDRO N#C[C@@H](c1cccs1)N1CCN(C(=O)C[N@@H+]2CC[C@H](C3CC3)C2)CC1 ZINC000371474075 557192962 /nfs/dbraw/zinc/19/29/62/557192962.db2.gz VSZWSIJBMPRSQP-IRXDYDNUSA-N 1 0 358.511 2.189 20 30 FEEDRO Cc1cc(C[NH+]2CCC(N(C)CC(=O)Nc3sccc3C#N)CC2)on1 ZINC000371861884 557313675 /nfs/dbraw/zinc/31/36/75/557313675.db2.gz YOPVXQZGYBHXTM-UHFFFAOYSA-N 1 0 373.482 2.451 20 30 FEEDRO N#Cc1cnn2cc(CN3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)cnc12 ZINC000518375598 562109897 /nfs/dbraw/zinc/10/98/97/562109897.db2.gz DDYZJAMJXMNAEB-UHFFFAOYSA-N 1 0 371.448 2.181 20 30 FEEDRO Cc1oc(NC(=O)[C@H](C)N2CCOC3(CCOCC3)CC2)c(C#N)c1C ZINC000372204819 557408654 /nfs/dbraw/zinc/40/86/54/557408654.db2.gz LILHRFNLXVEMOW-AWEZNQCLSA-N 1 0 361.442 2.367 20 30 FEEDRO Cc1cc(NC(=O)N2CC[NH+](C3CCC3)CC2)nn1-c1cccc(C#N)c1 ZINC000372463185 557477596 /nfs/dbraw/zinc/47/75/96/557477596.db2.gz HRWVSINFDYSVLC-UHFFFAOYSA-N 1 0 364.453 2.754 20 30 FEEDRO CN1CCC[C@]2(CC[N@H+](CC(=O)Nc3ccc(C#N)c(Cl)c3)C2)C1=O ZINC000372504053 557488074 /nfs/dbraw/zinc/48/80/74/557488074.db2.gz KFLNYODLVCPWJB-GOSISDBHSA-N 1 0 360.845 2.094 20 30 FEEDRO Cc1nn(C)c2ncc(C[N@@H+]3CCCN(c4ncccc4C#N)CC3)cc12 ZINC000372620975 557523164 /nfs/dbraw/zinc/52/31/64/557523164.db2.gz RBIVNHVLUXTWBN-UHFFFAOYSA-N 1 0 361.453 2.256 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C1C[C@H]2CC[C@@H](C1)C2=O ZINC000372769975 557559118 /nfs/dbraw/zinc/55/91/18/557559118.db2.gz QPRGMXDHCIBHHD-DFNIBXOVSA-N 1 0 353.466 2.454 20 30 FEEDRO C#CCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CC(=O)N(C)[C@H]2c2cnn(C)c2)cc1 ZINC000372878096 557580780 /nfs/dbraw/zinc/58/07/80/557580780.db2.gz MUYMNNJJWKNILT-LDBYXDLTSA-N 1 0 366.465 2.302 20 30 FEEDRO C=CCCOCCNC(=O)NCC1([NH+]2CCN(C)CC2)CCCCCC1 ZINC000372885405 557582084 /nfs/dbraw/zinc/58/20/84/557582084.db2.gz WAZYWHBMOZYOBP-UHFFFAOYSA-N 1 0 366.550 2.219 20 30 FEEDRO COc1ccc2c(c1)[C@H]([NH3+])CCN2S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000373181660 557645151 /nfs/dbraw/zinc/64/51/51/557645151.db2.gz VHZXSUJISGZNSW-MRXNPFEDSA-N 1 0 361.398 2.305 20 30 FEEDRO C=C(C)[C@H]1OCC[C@H]1C(=O)N(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000373254149 557659167 /nfs/dbraw/zinc/65/91/67/557659167.db2.gz GQMDFFCWLIYZRY-SFHLNBCPSA-N 1 0 358.482 2.063 20 30 FEEDRO CC[NH+](CC)Cc1ccccc1CNC(=O)C(=O)Nc1cccc(C#N)n1 ZINC000520404119 562155731 /nfs/dbraw/zinc/15/57/31/562155731.db2.gz PCZXHHOJLIIKAS-UHFFFAOYSA-N 1 0 365.437 2.050 20 30 FEEDRO CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000373965152 557797686 /nfs/dbraw/zinc/79/76/86/557797686.db2.gz NVJHDYZMNAWXKK-AABGKKOBSA-N 1 0 366.465 2.139 20 30 FEEDRO C[C@H](CNC(=O)N1CCC(C#N)(c2ccccn2)CC1)C[NH+]1CCCC1 ZINC000374425815 557882391 /nfs/dbraw/zinc/88/23/91/557882391.db2.gz ZUCNQNYOMBVOHP-QGZVFWFLSA-N 1 0 355.486 2.380 20 30 FEEDRO CN(C)c1noc([C@H]2CCC[N@H+](CCC(=O)Nc3ccc(C#N)cc3)C2)n1 ZINC000374634651 557909704 /nfs/dbraw/zinc/90/97/04/557909704.db2.gz AAXOFJKSEQHVBB-HNNXBMFYSA-N 1 0 368.441 2.215 20 30 FEEDRO COC(=O)[C@]12CCC[C@H]1C[N@@H+]([C@H]1CCN(c3sccc3C#N)C1=O)C2 ZINC000374645882 557911654 /nfs/dbraw/zinc/91/16/54/557911654.db2.gz KCKWEICNXAZWBF-DEYYWGMASA-N 1 0 359.451 2.000 20 30 FEEDRO CCCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](CC(=O)NCc2cccc(C#N)c2)C1 ZINC000521186782 562171174 /nfs/dbraw/zinc/17/11/74/562171174.db2.gz SSVCXOIQNDVBCJ-APWZRJJASA-N 1 0 370.497 2.191 20 30 FEEDRO CCN(CCC#N)C(=O)C[NH2+][C@@H]1CCN(C2CC2)[C@H]1c1cccc(OC)c1 ZINC000374851163 557940925 /nfs/dbraw/zinc/94/09/25/557940925.db2.gz ORACERJELPYXQL-CTNGQTDRSA-N 1 0 370.497 2.325 20 30 FEEDRO Cc1nn(C)c(C)c1C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000374864025 557942952 /nfs/dbraw/zinc/94/29/52/557942952.db2.gz QKZIGYPDIONHKR-UHFFFAOYSA-N 1 0 351.454 2.325 20 30 FEEDRO Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2CCC[N@@H+]([C@@H](C)CO)CC2)cc1 ZINC000375492832 558036914 /nfs/dbraw/zinc/03/69/14/558036914.db2.gz GNJNMBQPGQVRSL-OALUTQOASA-N 1 0 372.513 2.019 20 30 FEEDRO C=CCN1CC[C@@H]([N@@H+]2CCCN(c3ccc(C(F)(F)F)cn3)CC2)C1=O ZINC000375594241 558054284 /nfs/dbraw/zinc/05/42/84/558054284.db2.gz CVKPAVSFDPKHAZ-OAHLLOKOSA-N 1 0 368.403 2.399 20 30 FEEDRO Cc1cccc(C[NH+]2CCC(NS(=O)(=O)N(C)[C@H](C)CC#N)CC2)c1 ZINC000375694303 558068855 /nfs/dbraw/zinc/06/88/55/558068855.db2.gz UROQMVAWKXJLGP-MRXNPFEDSA-N 1 0 364.515 2.028 20 30 FEEDRO N#Cc1cccc(CCNC(=O)NC2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000375999792 558111963 /nfs/dbraw/zinc/11/19/63/558111963.db2.gz LVXCWDHNVKSFTQ-UHFFFAOYSA-N 1 0 363.465 2.460 20 30 FEEDRO C#CCCCS(=O)(=O)N[C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000376289767 558153103 /nfs/dbraw/zinc/15/31/03/558153103.db2.gz MHGZZBLPABYUCV-KRWDZBQOSA-N 1 0 362.495 2.307 20 30 FEEDRO CN(C(=O)Nc1cnn(-c2ncccc2C#N)c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000376585102 558194215 /nfs/dbraw/zinc/19/42/15/558194215.db2.gz SGEDBYZCALZWFB-SJPCQFCGSA-N 1 0 365.441 2.228 20 30 FEEDRO CC(C)(CCC#N)CNC(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000377030543 558253449 /nfs/dbraw/zinc/25/34/49/558253449.db2.gz LVFUKWZWYQSMHK-UHFFFAOYSA-N 1 0 350.507 2.460 20 30 FEEDRO N#CC1(C(=O)NCc2ccc(OCC[NH+]3CCCC3)cc2)CCOCC1 ZINC000522044334 562190044 /nfs/dbraw/zinc/19/00/44/562190044.db2.gz NAYGJLYIJBMIKE-UHFFFAOYSA-N 1 0 357.454 2.098 20 30 FEEDRO C=CCN(C(=O)CCCCNC(N)=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000377573134 558368813 /nfs/dbraw/zinc/36/88/13/558368813.db2.gz NANKJZYQJLCIOA-SFHVURJKSA-N 1 0 358.486 2.114 20 30 FEEDRO Cc1cc(=NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)[nH]n1CCC#N ZINC000377578231 558370006 /nfs/dbraw/zinc/37/00/06/558370006.db2.gz BKELKWNAXHHNNN-WMZOPIPTSA-N 1 0 366.469 2.890 20 30 FEEDRO CN1CC[C@@H]([NH2+]CC(=O)NC2(C#N)CCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000377676381 558394126 /nfs/dbraw/zinc/39/41/26/558394126.db2.gz QDDQQXHWQDUROT-NVXWUHKLSA-N 1 0 364.852 2.376 20 30 FEEDRO C[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc(C#N)cc2)[C@H]1c1cccs1 ZINC000377759876 558413669 /nfs/dbraw/zinc/41/36/69/558413669.db2.gz IAUQVCDZXVUQFT-YOEHRIQHSA-N 1 0 368.462 2.367 20 30 FEEDRO COc1ccc(C[NH2+][C@H]2CCN(c3ccn(C)n3)C2)cc1OCCCC#N ZINC000377794749 558421078 /nfs/dbraw/zinc/42/10/78/558421078.db2.gz LXYHJFTWVFPETF-KRWDZBQOSA-N 1 0 369.469 2.480 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)[C@H]2CCCN2c2ncnc3ccccc32)CC1 ZINC000378229594 558506930 /nfs/dbraw/zinc/50/69/30/558506930.db2.gz GBPRAGATSJUMOV-LJQANCHMSA-N 1 0 365.481 2.365 20 30 FEEDRO CCC[NH+]1CCN(C2CCN(C(=O)c3ccc(CC#N)cc3)CC2)CC1 ZINC000378274961 558517173 /nfs/dbraw/zinc/51/71/73/558517173.db2.gz SEGYGJHUGABBAT-UHFFFAOYSA-N 1 0 354.498 2.385 20 30 FEEDRO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCCN(CC(=O)NC(C)(C)C)CC2)cc1 ZINC000378337977 558532958 /nfs/dbraw/zinc/53/29/58/558532958.db2.gz RBFVZYNWSXTGPJ-KRWDZBQOSA-N 1 0 372.513 2.400 20 30 FEEDRO C=CCc1ccc(OC[C@@H](O)CN(C)[C@H]2CC[N@@H+](C3CC3)C2)c(OC)c1 ZINC000523582870 562215690 /nfs/dbraw/zinc/21/56/90/562215690.db2.gz KDHVVCFKXAULAG-OALUTQOASA-N 1 0 360.498 2.332 20 30 FEEDRO N#CC1(NC(=O)CCOC2CCOCC2)CC[NH+](Cc2ccccc2)CC1 ZINC000378484745 558567456 /nfs/dbraw/zinc/56/74/56/558567456.db2.gz WNRVAQXKKBRHPP-UHFFFAOYSA-N 1 0 371.481 2.247 20 30 FEEDRO CC[NH+](CC)CCN(Cc1ccccc1)S(=O)(=O)N(C)C[C@@H](C)C#N ZINC000409583478 558704902 /nfs/dbraw/zinc/70/49/02/558704902.db2.gz USKNKHKCVRWVRD-KRWDZBQOSA-N 1 0 366.531 2.167 20 30 FEEDRO C[C@H](C(=O)Nc1ccc(OCC[N@@H+]2CC[C@@H](C)C2)cc1)n1cnc(C#N)n1 ZINC000409777060 558719655 /nfs/dbraw/zinc/71/96/55/558719655.db2.gz YFZSJARLZQRMBT-HUUCEWRRSA-N 1 0 368.441 2.070 20 30 FEEDRO CCN(C(=O)[C@H](C)n1cnc(C#N)n1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000409841663 558722508 /nfs/dbraw/zinc/72/25/08/558722508.db2.gz XGQYPUOUWUMMJB-RYRKJORJSA-N 1 0 366.469 2.395 20 30 FEEDRO C[C@H]1C[C@@H](NS(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)CC[N@@H+]1C ZINC000410161453 558743272 /nfs/dbraw/zinc/74/32/72/558743272.db2.gz KTNLXNGIHPVYSQ-JQWIXIFHSA-N 1 0 361.389 2.338 20 30 FEEDRO CSc1cc(C)ccc1NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C ZINC000411386315 558886583 /nfs/dbraw/zinc/88/65/83/558886583.db2.gz JXJKGSXSSJWQTN-UHFFFAOYSA-N 1 0 362.499 2.349 20 30 FEEDRO COCCN(C)S(=O)(=O)[C@H]1CCC[N@H+](CCC2(C#N)CCCCC2)C1 ZINC000411623358 558931245 /nfs/dbraw/zinc/93/12/45/558931245.db2.gz HRFXGCKICXCDOG-KRWDZBQOSA-N 1 0 371.547 2.223 20 30 FEEDRO C[N@@H+]1CCC[C@@H](CCNC(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)C1 ZINC000411662090 558938097 /nfs/dbraw/zinc/93/80/97/558938097.db2.gz BETAAZLOIOJDHI-HNNXBMFYSA-N 1 0 356.470 2.274 20 30 FEEDRO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@](C(N)=O)(c2ccccc2)C1 ZINC000411973214 558998077 /nfs/dbraw/zinc/99/80/77/558998077.db2.gz WWGGFURWKNZKSG-YCRPNKLZSA-N 1 0 362.433 2.014 20 30 FEEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1C[C@@H]2CC[C@H](O)C[C@@H]2C1 ZINC000412050619 559006619 /nfs/dbraw/zinc/00/66/19/559006619.db2.gz UFUJTMNHNIGVKA-FJIDUMEYSA-N 1 0 371.481 2.423 20 30 FEEDRO N#Cc1ccc(CC(=O)NCC2(O)CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000412770074 559055251 /nfs/dbraw/zinc/05/52/51/559055251.db2.gz GDMLNZXCEOEODX-UHFFFAOYSA-N 1 0 363.461 2.244 20 30 FEEDRO CCn1ccc(CNC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000413646598 559122633 /nfs/dbraw/zinc/12/26/33/559122633.db2.gz YJUJBAADILRTCE-UHFFFAOYSA-N 1 0 366.469 2.192 20 30 FEEDRO N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000414900730 559194131 /nfs/dbraw/zinc/19/41/31/559194131.db2.gz IPAZIISKHPIPTO-RTBURBONSA-N 1 0 362.433 2.382 20 30 FEEDRO C[NH2+][C@H]1CCN(C(=O)C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)C1 ZINC000415295223 559221893 /nfs/dbraw/zinc/22/18/93/559221893.db2.gz HGNYLAREWCSXSU-INIZCTEOSA-N 1 0 364.405 2.109 20 30 FEEDRO N#Cc1ccc(NC(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])c(Cl)c1 ZINC000415310570 559223126 /nfs/dbraw/zinc/22/31/26/559223126.db2.gz PLAZIKHEBSZFHB-CYBMUJFWSA-N 1 0 363.849 2.063 20 30 FEEDRO O=C(NC[C@@H]1CCC[NH2+]C1)C(=O)Nc1ccccc1C#Cc1ccccc1 ZINC000415330045 559224770 /nfs/dbraw/zinc/22/47/70/559224770.db2.gz FCYCWRYGQGMWRM-GOSISDBHSA-N 1 0 361.445 2.141 20 30 FEEDRO N#Cc1ccccc1Oc1ccc(NC(=O)C(=O)N2CC[C@@H](C[NH3+])C2)cc1 ZINC000415351126 559226479 /nfs/dbraw/zinc/22/64/79/559226479.db2.gz HFOJZUAOOYGAHA-AWEZNQCLSA-N 1 0 364.405 2.096 20 30 FEEDRO O=C(NCC[C@@H]1CC[NH2+]C1)C(=O)Nc1cccc(C#Cc2ccccc2)c1 ZINC000415390651 559230433 /nfs/dbraw/zinc/23/04/33/559230433.db2.gz HWBVKVCFSQKPNM-IBGZPJMESA-N 1 0 361.445 2.141 20 30 FEEDRO CCCN(C(=O)C(=O)Nc1ccccc1SC[C@H](C)C#N)[C@@H]1CC[NH2+]C1 ZINC000415402479 559231821 /nfs/dbraw/zinc/23/18/21/559231821.db2.gz KACHLCKVSBOIDM-HUUCEWRRSA-N 1 0 374.510 2.477 20 30 FEEDRO CCCN(C(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)[C@H]1CC[NH2+]C1 ZINC000415412927 559232938 /nfs/dbraw/zinc/23/29/38/559232938.db2.gz YLQYYURTDNVJKA-ZDUSSCGKSA-N 1 0 368.359 2.116 20 30 FEEDRO CC(C)[C@@H]1CCc2c(C#N)c(NC(=O)C(=O)N(C)[C@@H](C)C[NH3+])sc2C1 ZINC000415419990 559233586 /nfs/dbraw/zinc/23/35/86/559233586.db2.gz RTQFJAOYSKBHNA-NWDGAFQWSA-N 1 0 362.499 2.125 20 30 FEEDRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)C1 ZINC000415447450 559238060 /nfs/dbraw/zinc/23/80/60/559238060.db2.gz HLMCANRWGNDIJN-CHWSQXEVSA-N 1 0 372.860 2.988 20 30 FEEDRO CN(CC(C)(C)C[NH3+])C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 ZINC000415450401 559238482 /nfs/dbraw/zinc/23/84/82/559238482.db2.gz IWBURAVNJJPNAK-UHFFFAOYSA-N 1 0 360.849 2.846 20 30 FEEDRO CCCN(C(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C)C1CC[NH2+]CC1 ZINC000415502090 559244176 /nfs/dbraw/zinc/24/41/76/559244176.db2.gz BCQVJUCZUMLCJY-UHFFFAOYSA-N 1 0 359.474 2.044 20 30 FEEDRO C[NH2+]CCC1CCN(C(=O)C(=O)Nc2cccc(OCCCC#N)c2)CC1 ZINC000415548879 559248492 /nfs/dbraw/zinc/24/84/92/559248492.db2.gz IZACSRQGDXFZTD-UHFFFAOYSA-N 1 0 372.469 2.156 20 30 FEEDRO CC1(C)CN(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)CC[NH2+]1 ZINC000415553000 559248797 /nfs/dbraw/zinc/24/87/97/559248797.db2.gz BIMDNPSNPYFOOB-UHFFFAOYSA-N 1 0 369.469 2.485 20 30 FEEDRO C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000415601633 559254288 /nfs/dbraw/zinc/25/42/88/559254288.db2.gz PXJSYYAVUNUYPY-MGPQQGTHSA-N 1 0 364.471 2.011 20 30 FEEDRO C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N[C@H](C[NH3+])C2CCCC2)cc1 ZINC000415602115 559254453 /nfs/dbraw/zinc/25/44/53/559254453.db2.gz RDQSKWWDGMNRIY-MLGOLLRUSA-N 1 0 364.471 2.011 20 30 FEEDRO CC(C)Oc1ccc(NC(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)cc1C#N ZINC000415683604 559261490 /nfs/dbraw/zinc/26/14/90/559261490.db2.gz ZTVPPTKPERNJPH-QGZVFWFLSA-N 1 0 372.469 2.178 20 30 FEEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000415684613 559261671 /nfs/dbraw/zinc/26/16/71/559261671.db2.gz XSSKAMHSNANVFO-HUUCEWRRSA-N 1 0 374.510 2.464 20 30 FEEDRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)Nc1cccc(C#Cc2ccccc2)c1 ZINC000415693824 559262482 /nfs/dbraw/zinc/26/24/82/559262482.db2.gz ZNBIEKOZVVJKTD-JXFKEZNVSA-N 1 0 361.445 2.282 20 30 FEEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000415773031 559269784 /nfs/dbraw/zinc/26/97/84/559269784.db2.gz UZTMSMNAVXLROP-ILXRZTDVSA-N 1 0 372.494 2.230 20 30 FEEDRO CC[C@H]([NH3+])CNC(=O)C(=O)Nc1sc2c(c1C#N)CC[C@@H](C(C)C)C2 ZINC000415777665 559270125 /nfs/dbraw/zinc/27/01/25/559270125.db2.gz DHYJPQUEEZZCQD-NEPJUHHUSA-N 1 0 362.499 2.173 20 30 FEEDRO CN(C(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1)C1CC([NH3+])C1 ZINC000415789993 559271345 /nfs/dbraw/zinc/27/13/45/559271345.db2.gz OPKFBBAUFMBYQT-UHFFFAOYSA-N 1 0 364.405 2.237 20 30 FEEDRO C=CCOc1cccc(NC(=O)C(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000415820276 559274843 /nfs/dbraw/zinc/27/48/43/559274843.db2.gz KYNXPAPUOHJVQC-HOTGVXAUSA-N 1 0 357.454 2.038 20 30 FEEDRO N#Cc1ccc(NC(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)cc1C(F)(F)F ZINC000415838574 559277091 /nfs/dbraw/zinc/27/70/91/559277091.db2.gz LNMOKFJSCKVMKO-AWEZNQCLSA-N 1 0 368.359 2.149 20 30 FEEDRO C[NH2+]Cc1cccc(NC(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)c1 ZINC000415935101 559283279 /nfs/dbraw/zinc/28/32/79/559283279.db2.gz SOQXXQARIOXDGI-KRWDZBQOSA-N 1 0 351.410 2.358 20 30 FEEDRO C[NH2+]Cc1ccc(NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc1 ZINC000415973296 559286143 /nfs/dbraw/zinc/28/61/43/559286143.db2.gz OIHSZFVBKNAZRX-UHFFFAOYSA-N 1 0 350.426 2.027 20 30 FEEDRO N#Cc1ccccc1N1CCCN(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)CC1 ZINC000415994096 559287683 /nfs/dbraw/zinc/28/76/83/559287683.db2.gz KLBKRRGNTFBBGG-HNNXBMFYSA-N 1 0 369.391 2.060 20 30 FEEDRO CC(C)N(CC[NH+](C)C)S(=O)(=O)c1cc(Br)ccc1C#N ZINC000416442533 559313039 /nfs/dbraw/zinc/31/30/39/559313039.db2.gz YALDYTWYAPSNMB-UHFFFAOYSA-N 1 0 374.304 2.281 20 30 FEEDRO N#Cc1ccc(OC2CCC(NC(=O)NCCC[C@@H]3CCC[NH2+]3)CC2)nc1 ZINC000417959153 559384115 /nfs/dbraw/zinc/38/41/15/559384115.db2.gz DHQWLUWLVZLUMO-AOCRQIFASA-N 1 0 371.485 2.475 20 30 FEEDRO N#Cc1c(F)cccc1N1CCN(C(=O)N[C@@H](C[NH3+])C2CCCC2)CC1 ZINC000418620479 559408267 /nfs/dbraw/zinc/40/82/67/559408267.db2.gz KTFAXJGNCLWOBC-KRWDZBQOSA-N 1 0 359.449 2.046 20 30 FEEDRO C[C@H](CCCC[NH3+])NC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000418696835 559411537 /nfs/dbraw/zinc/41/15/37/559411537.db2.gz MXJWIACTIFZZSQ-OAHLLOKOSA-N 1 0 371.485 2.436 20 30 FEEDRO C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)NCC1([NH3+])CCCCCC1 ZINC000419065105 559426801 /nfs/dbraw/zinc/42/68/01/559426801.db2.gz YXGINHLRFHRQKS-GOSISDBHSA-N 1 0 357.498 2.458 20 30 FEEDRO C=CCCC[C@@H](C)NC(=O)C(=O)N1CCNC[C@H]1c1ccccc1OC ZINC000419155526 559430298 /nfs/dbraw/zinc/43/02/98/559430298.db2.gz RRKUEOSGFFRXAA-WBVHZDCISA-N 1 0 359.470 2.029 20 30 FEEDRO C[C@H](NC(=O)C(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1)c1ccc(C#N)cc1 ZINC000419280559 559435146 /nfs/dbraw/zinc/43/51/46/559435146.db2.gz JJZDGOPCUNYXAQ-SNRMKQJTSA-N 1 0 368.481 2.116 20 30 FEEDRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000419643841 559451312 /nfs/dbraw/zinc/45/13/12/559451312.db2.gz OJHLKHHHWKBWEP-BEFAXECRSA-N 1 0 370.497 2.422 20 30 FEEDRO C=C(C)[C@H](NC(=O)C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1)c1ccc(F)c(F)c1 ZINC000419668490 559452711 /nfs/dbraw/zinc/45/27/11/559452711.db2.gz AKWMEEVWZZJMTE-JDFRZJQESA-N 1 0 365.424 2.284 20 30 FEEDRO C=C(C)[C@@H](NC(=O)C(=O)N1CCC[C@@H](C[NH2+]C)C1)c1ccc(F)c(F)c1 ZINC000419675869 559453272 /nfs/dbraw/zinc/45/32/72/559453272.db2.gz KTOAGPGKLXVTOY-SUMWQHHRSA-N 1 0 365.424 2.156 20 30 FEEDRO C=C(C)[C@H](NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(F)c(F)c1 ZINC000419683494 559453880 /nfs/dbraw/zinc/45/38/80/559453880.db2.gz VFTDGKGVCAHNBP-KEYYUXOJSA-N 1 0 363.408 2.051 20 30 FEEDRO C=CCC[C@H]1NC(=O)N([C@H]2CC[N@@H+](Cc3cc(OC)cc(OC)c3)C2)C1=O ZINC000419948642 559465963 /nfs/dbraw/zinc/46/59/63/559465963.db2.gz KKTZZBALKYZDKU-MAUKXSAKSA-N 1 0 373.453 2.165 20 30 FEEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000419967737 559466910 /nfs/dbraw/zinc/46/69/10/559466910.db2.gz OPEOQKCYAWENNY-IBGZPJMESA-N 1 0 373.497 2.234 20 30 FEEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000420144114 559474734 /nfs/dbraw/zinc/47/47/34/559474734.db2.gz MLDFUBGXINETAL-DGCLKSJQSA-N 1 0 355.891 2.030 20 30 FEEDRO C=C(C)CN(Cc1ccccc1)C(=O)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000420159569 559475200 /nfs/dbraw/zinc/47/52/00/559475200.db2.gz IAVCYGOEWWKYAF-SFHVURJKSA-N 1 0 357.498 2.486 20 30 FEEDRO C[C@@H](c1nc(-c2ccccc2)no1)N1CCN(c2cncc(C#N)n2)CC1 ZINC000420583508 559492933 /nfs/dbraw/zinc/49/29/33/559492933.db2.gz JAZYATMTOOLQNE-AWEZNQCLSA-N 1 0 361.409 2.281 20 30 FEEDRO C[NH+](C)CCCOc1cnccc1CNC(=O)NCc1ccc(C#N)s1 ZINC000420841766 559507378 /nfs/dbraw/zinc/50/73/78/559507378.db2.gz MNICJHLRRVHRJM-UHFFFAOYSA-N 1 0 373.482 2.345 20 30 FEEDRO C[NH+](C)C1CCC(NC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)CC1 ZINC000420899026 559510159 /nfs/dbraw/zinc/51/01/59/559510159.db2.gz IZBKYIJCWCSKQR-UHFFFAOYSA-N 1 0 373.476 2.402 20 30 FEEDRO CCOC(=O)c1c(NC(=O)N(CC)CCC[NH+](C)C)c(C#N)cn1CC ZINC000421175718 559529055 /nfs/dbraw/zinc/52/90/55/559529055.db2.gz PZFCRRAQIZFUSN-UHFFFAOYSA-N 1 0 363.462 2.362 20 30 FEEDRO N#Cc1ccc(C[NH2+][C@H]2CC(=O)N(CCOc3ccccc3)C2)cc1F ZINC000421367224 559540226 /nfs/dbraw/zinc/54/02/26/559540226.db2.gz SKBRKNHEVARWQE-KRWDZBQOSA-N 1 0 353.397 2.467 20 30 FEEDRO C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000421508532 559544041 /nfs/dbraw/zinc/54/40/41/559544041.db2.gz FIOCWNZBMZSYDQ-IEBWSBKVSA-N 1 0 357.498 2.138 20 30 FEEDRO C[NH+](C)C1CCC(NC(=O)[C@@H]2CCC(=O)N2Cc2cccc(C#N)c2)CC1 ZINC000421681235 559549217 /nfs/dbraw/zinc/54/92/17/559549217.db2.gz WEWPMIDXRXZKJK-ACBHZAAOSA-N 1 0 368.481 2.038 20 30 FEEDRO CCOC(=O)c1c(NC(=O)C2CC[NH+](C3CC3)CC2)c(C#N)cn1CC ZINC000421724846 559550927 /nfs/dbraw/zinc/55/09/27/559550927.db2.gz FMNGCDBCBNQFNA-UHFFFAOYSA-N 1 0 358.442 2.369 20 30 FEEDRO C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000422083604 559564137 /nfs/dbraw/zinc/56/41/37/559564137.db2.gz IXDHFDFFMYLMOF-QYZOEREBSA-N 1 0 355.482 2.033 20 30 FEEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000423024140 559615538 /nfs/dbraw/zinc/61/55/38/559615538.db2.gz LBQWOQWZVRDKGK-AAEUAGOBSA-N 1 0 355.891 2.112 20 30 FEEDRO CC(C)(C)S(=O)(=O)Cc1cccc(NC(=O)[C@H]([NH3+])CCCC#N)c1 ZINC000424111265 559655226 /nfs/dbraw/zinc/65/52/26/559655226.db2.gz ACRDIOPINYCOKD-OAHLLOKOSA-N 1 0 351.472 2.360 20 30 FEEDRO C=CCn1c(-c2ncccc2C)nnc1N1CC[NH+](C(C)(C)COC)CC1 ZINC000424111338 559655237 /nfs/dbraw/zinc/65/52/37/559655237.db2.gz ANRDWJVJUJQRFP-UHFFFAOYSA-N 1 0 370.501 2.382 20 30 FEEDRO C=CCn1c([C@@H]2CCCS2)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000424117628 559655330 /nfs/dbraw/zinc/65/53/30/559655330.db2.gz BOMCWPCURYNFNR-HOTGVXAUSA-N 1 0 363.531 2.191 20 30 FEEDRO CN(C)C(=O)C[C@@H]1CN(C(=O)[C@H]([NH3+])CCCC#N)c2ccc(Cl)cc21 ZINC000424120086 559655335 /nfs/dbraw/zinc/65/53/35/559655335.db2.gz GPNSWSMHANIVPB-IUODEOHRSA-N 1 0 362.861 2.270 20 30 FEEDRO CCOC(=O)c1ccn(-c2ccccc2NC(=O)[C@@H]([NH3+])CCCC#N)n1 ZINC000424143343 559656115 /nfs/dbraw/zinc/65/61/15/559656115.db2.gz QVRRIWPNGVWFQT-ZDUSSCGKSA-N 1 0 355.398 2.009 20 30 FEEDRO C=CCC1(C(=O)Nc2ccc3oc(=O)n(CC[NH+](C)C)c3c2)CCOCC1 ZINC000424619547 559671442 /nfs/dbraw/zinc/67/14/42/559671442.db2.gz BQJBHTJASXSAJI-UHFFFAOYSA-N 1 0 373.453 2.468 20 30 FEEDRO C=CCCn1cc(C(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)nn1 ZINC000424863180 559678737 /nfs/dbraw/zinc/67/87/37/559678737.db2.gz HZVQZAODRNSMPJ-UHFFFAOYSA-N 1 0 359.396 2.343 20 30 FEEDRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(c2ncc3c(c2C#N)CCC3)CC1 ZINC000425230091 559692401 /nfs/dbraw/zinc/69/24/01/559692401.db2.gz URHPLLWMIJCEIT-IAGOWNOFSA-N 1 0 353.514 2.437 20 30 FEEDRO C=C(C)CN(Cc1ccccc1)C(=O)C(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000425379165 559698823 /nfs/dbraw/zinc/69/88/23/559698823.db2.gz DCOJUZSQCFVAEK-RBUKOAKNSA-N 1 0 355.482 2.144 20 30 FEEDRO COc1cc2c(cc1OC)CN(CCNC(=O)N[C@@H]1CC[C@H](C#N)C1)CC2 ZINC000425669640 559714055 /nfs/dbraw/zinc/71/40/55/559714055.db2.gz DBLMXGQIJCSYRJ-WMLDXEAASA-N 1 0 372.469 2.053 20 30 FEEDRO C[C@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000425874535 559723693 /nfs/dbraw/zinc/72/36/93/559723693.db2.gz RMLOTUPANMVMNN-JKSUJKDBSA-N 1 0 356.470 2.068 20 30 FEEDRO C[C@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000425889243 559724092 /nfs/dbraw/zinc/72/40/92/559724092.db2.gz QFSUMLGXDJDRKN-VNCLNFNDSA-N 1 0 368.481 2.211 20 30 FEEDRO O=C(C[N@H+]1CCC[C@@H]1CCO)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000426251048 559731494 /nfs/dbraw/zinc/73/14/94/559731494.db2.gz WFGHQEAMCNKGCP-MRXNPFEDSA-N 1 0 354.372 2.020 20 30 FEEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCC(=O)c1cnn(C)c1 ZINC000427118413 559748227 /nfs/dbraw/zinc/74/82/27/559748227.db2.gz XEVGCDDJJDMEMG-UHFFFAOYSA-N 1 0 374.514 2.201 20 30 FEEDRO CCOc1ccc(N(CCC#N)C(=O)CN2CC[C@]3(CC[N@H+](C)C3)C2)cc1 ZINC000429025390 559789106 /nfs/dbraw/zinc/78/91/06/559789106.db2.gz IFLILPJNDISPLW-NRFANRHFSA-N 1 0 370.497 2.360 20 30 FEEDRO COC(=O)[C@H]1CC[N@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)[C@H]1C(C)C ZINC000429396746 559797839 /nfs/dbraw/zinc/79/78/39/559797839.db2.gz GSQGZSIRACBZQT-BZSNNMDCSA-N 1 0 355.438 2.183 20 30 FEEDRO C=CC[N@@H+](C)CCN(CC)CC(=O)Nc1ccc(Br)cn1 ZINC000429702896 559804284 /nfs/dbraw/zinc/80/42/84/559804284.db2.gz OZNYSAYGNQUBGT-UHFFFAOYSA-N 1 0 355.280 2.222 20 30 FEEDRO N#CCCC[C@@H](NC(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O)c1ccccc1 ZINC000431931123 559848688 /nfs/dbraw/zinc/84/86/88/559848688.db2.gz MRURDLBLFNVNJB-MSOLQXFVSA-N 1 0 371.485 2.061 20 30 FEEDRO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCC(CO)(c2ccccc2)CC1 ZINC000433062623 559870912 /nfs/dbraw/zinc/87/09/12/559870912.db2.gz UQBHVWWBIBZGIE-XLIONFOSSA-N 1 0 357.498 2.455 20 30 FEEDRO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCC(CO)(c2ccccc2)CC1 ZINC000433062621 559871070 /nfs/dbraw/zinc/87/10/70/559871070.db2.gz UQBHVWWBIBZGIE-FXAWDEMLSA-N 1 0 357.498 2.455 20 30 FEEDRO COC[C@H]([NH2+][C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1)[C@H]1CCCO1 ZINC000434781748 559909211 /nfs/dbraw/zinc/90/92/11/559909211.db2.gz DEOHQTSFKUKYGW-MYTOGIIISA-N 1 0 351.491 2.089 20 30 FEEDRO C=C(C)CS(=O)(=O)N(C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000435435390 559922973 /nfs/dbraw/zinc/92/29/73/559922973.db2.gz AWMMSDZLWRBIDG-UHFFFAOYSA-N 1 0 357.564 2.020 20 30 FEEDRO CCOCCC[N@@H+]1CC[C@H](NS(=O)(=O)c2ccc(C#N)s2)[C@H](C)C1 ZINC000435436741 559923046 /nfs/dbraw/zinc/92/30/46/559923046.db2.gz GTLMDWDEFXBEOC-HIFRSBDPSA-N 1 0 371.528 2.035 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCC(C)(C)[NH+]1CCC(OC)CC1 ZINC000437724586 559968652 /nfs/dbraw/zinc/96/86/52/559968652.db2.gz VCSCLVWRAQOFOA-WBVHZDCISA-N 1 0 353.507 2.156 20 30 FEEDRO C[NH+](C)CCn1nnnc1SCc1ccc(C#N)cc1OC(F)F ZINC000439543551 559996583 /nfs/dbraw/zinc/99/65/83/559996583.db2.gz QPOCXCIFYSTYCJ-UHFFFAOYSA-N 1 0 354.386 2.000 20 30 FEEDRO CC#CCCNC(=O)C(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000440727652 560017239 /nfs/dbraw/zinc/01/72/39/560017239.db2.gz KPAVTZPDIMOKGC-UHFFFAOYSA-N 1 0 355.482 2.429 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)NCc2ccc(C)cc2N2CCOCC2)CC1 ZINC000441082849 560023137 /nfs/dbraw/zinc/02/31/37/560023137.db2.gz YXUPVMHHCRPNIY-UHFFFAOYSA-N 1 0 372.513 2.281 20 30 FEEDRO CCN1C[C@@H](C)N(C(=O)C(=O)Nc2ccc(OC(C)C)c(C#N)c2)C[C@@H]1C ZINC000441088757 560023516 /nfs/dbraw/zinc/02/35/16/560023516.db2.gz QSAHWHCEUDEPIS-LSDHHAIUSA-N 1 0 372.469 2.225 20 30 FEEDRO C[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccccc2SCCC#N)CC[N@@H+]1C ZINC000442126012 560044478 /nfs/dbraw/zinc/04/44/78/560044478.db2.gz FZJIEERDIUESCK-KBPBESRZSA-N 1 0 360.483 2.230 20 30 FEEDRO CCC(C#N)(CC)C(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000528559924 562336255 /nfs/dbraw/zinc/33/62/55/562336255.db2.gz IBCHUTLBKZEGDQ-UHFFFAOYSA-N 1 0 362.518 2.157 20 30 FEEDRO CCOCCCNC(=O)C1CC[NH+](Cc2ccc(C#N)c(OC)c2)CC1 ZINC000442817541 560058214 /nfs/dbraw/zinc/05/82/14/560058214.db2.gz YZVQTWNRKFNZKD-UHFFFAOYSA-N 1 0 359.470 2.322 20 30 FEEDRO C[NH+](C)C1(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)CCCCC1 ZINC000443096212 560070445 /nfs/dbraw/zinc/07/04/45/560070445.db2.gz UPFMNHRHJCLCKV-UHFFFAOYSA-N 1 0 366.443 2.009 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNS(=O)(=O)c1c(C)nn(CC)c1C)C(C)C ZINC000444107480 560101784 /nfs/dbraw/zinc/10/17/84/560101784.db2.gz SHKFQJGKTSBVQF-QGZVFWFLSA-N 1 0 368.547 2.497 20 30 FEEDRO C[NH+]1CCC(O)(CNC(=O)c2cn(CCCC#N)c3ccccc23)CC1 ZINC000444286366 560108090 /nfs/dbraw/zinc/10/80/90/560108090.db2.gz AVTDLUHAECJZFQ-UHFFFAOYSA-N 1 0 354.454 2.132 20 30 FEEDRO C=CCN1C(=O)c2ccc(C(=O)NCC[N@H+]3CCCC(C)(C)C3)cc2C1=O ZINC000444616441 560116700 /nfs/dbraw/zinc/11/67/00/560116700.db2.gz IORMRDVXOOZDKS-UHFFFAOYSA-N 1 0 369.465 2.320 20 30 FEEDRO CC(C)[N@@H+](CC(=O)NC1(C#N)CCCCC1)C[C@@H](O)COc1ccccc1 ZINC000444806705 560121285 /nfs/dbraw/zinc/12/12/85/560121285.db2.gz WRXDSRPMPFYBSQ-GOSISDBHSA-N 1 0 373.497 2.479 20 30 FEEDRO C=CC[C@H]1N(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CCCC1(C)C ZINC000445153248 560130038 /nfs/dbraw/zinc/13/00/38/560130038.db2.gz SOAQNYLZEILHEF-DLBZAZTESA-N 1 0 364.534 2.350 20 30 FEEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@@H](CO)[C@H]1CCCO1 ZINC000447919307 560173052 /nfs/dbraw/zinc/17/30/52/560173052.db2.gz DQKWZALNOWJWLW-VNQPRFMTSA-N 1 0 363.483 2.149 20 30 FEEDRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000448329445 560184816 /nfs/dbraw/zinc/18/48/16/560184816.db2.gz WGLLDQPDCPXUDB-HNNXBMFYSA-N 1 0 373.501 2.290 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(N2CCC2)nc1 ZINC000448727185 560196791 /nfs/dbraw/zinc/19/67/91/560196791.db2.gz WGZZMTOYAAOCMQ-UHFFFAOYSA-N 1 0 363.465 2.367 20 30 FEEDRO COCC[N@H+](C)CC[C@@H](NC(=O)c1ccc(C#N)n1C)c1ccccc1 ZINC000448907358 560206205 /nfs/dbraw/zinc/20/62/05/560206205.db2.gz HYYDVRPTYRMQJQ-GOSISDBHSA-N 1 0 354.454 2.336 20 30 FEEDRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)c1ccc(C#N)n1C ZINC000448951014 560208567 /nfs/dbraw/zinc/20/85/67/560208567.db2.gz OLNWIFXRNPFIGL-GOSISDBHSA-N 1 0 351.454 2.418 20 30 FEEDRO C[NH+](C)CCCCNC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 ZINC000448976949 560210126 /nfs/dbraw/zinc/21/01/26/560210126.db2.gz WLIQNWQFNPUDTI-AWEZNQCLSA-N 1 0 362.861 2.023 20 30 FEEDRO N#CCCn1cc(C[NH2+]C[C@@H]2CCCN2CCCO)c(-c2ccccc2)n1 ZINC000449390093 560228303 /nfs/dbraw/zinc/22/83/03/560228303.db2.gz VGMNBFMMCCXQLD-FQEVSTJZSA-N 1 0 367.497 2.400 20 30 FEEDRO C[NH+](C)[C@H](CNC(=O)COc1ccc(C#N)c(Br)c1)C1CC1 ZINC000449792600 560240176 /nfs/dbraw/zinc/24/01/76/560240176.db2.gz AARVQHGNOHSFHU-OAHLLOKOSA-N 1 0 366.259 2.156 20 30 FEEDRO C[C@H](CNC(=O)COc1ccc(C#N)c(Br)c1)[N@H+](C)C1CC1 ZINC000449834058 560241933 /nfs/dbraw/zinc/24/19/33/560241933.db2.gz IWQLLZLLTOITDT-LLVKDONJSA-N 1 0 366.259 2.298 20 30 FEEDRO CN(C[C@H](c1cccs1)N1CCOCC1)C(=O)c1ccc(C#N)n1C ZINC000450046579 560249148 /nfs/dbraw/zinc/24/91/48/560249148.db2.gz SRZUZQRHTBYHHC-MRXNPFEDSA-N 1 0 358.467 2.104 20 30 FEEDRO CC(C)Oc1ccc2[nH+]ccc(NCCCc3[nH]nc(N)c3C#N)c2c1 ZINC000450223250 560254525 /nfs/dbraw/zinc/25/45/25/560254525.db2.gz KHUKMRNGLJYURY-UHFFFAOYSA-N 1 0 350.426 2.666 20 30 FEEDRO C[NH+](C)Cc1ccc(N2CCN(c3cccc(C#N)c3[N+](=O)[O-])CC2)nc1 ZINC000450320825 560258410 /nfs/dbraw/zinc/25/84/10/560258410.db2.gz PKRYFBLGHOHYHI-UHFFFAOYSA-N 1 0 366.425 2.250 20 30 FEEDRO C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)COc1cccc(Br)c1C#N ZINC000450347681 560259397 /nfs/dbraw/zinc/25/93/97/560259397.db2.gz IRWQDADSQPYOHB-RYUDHWBXSA-N 1 0 366.259 2.251 20 30 FEEDRO C[C@@H]1[C@@H](NC(=O)COc2cccc(Br)c2C#N)CCC[N@@H+]1C ZINC000450547015 560265843 /nfs/dbraw/zinc/26/58/43/560265843.db2.gz LUOTZBZXGVSWRV-RISCZKNCSA-N 1 0 366.259 2.298 20 30 FEEDRO CC(=O)N1CCC[N@H+](C[C@@H]2CCCN(c3cc(C#N)cc(C)n3)C2)CC1 ZINC000450770177 560272729 /nfs/dbraw/zinc/27/27/29/560272729.db2.gz IGBABKUFMHJJDW-SFHVURJKSA-N 1 0 355.486 2.032 20 30 FEEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)S(=O)(=O)CC(C)(C)CC#N ZINC000451130847 560288874 /nfs/dbraw/zinc/28/88/74/560288874.db2.gz ONJKLXMLYIUOHQ-UHFFFAOYSA-N 1 0 362.499 2.192 20 30 FEEDRO Cc1[nH]c(C#N)cc1C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000451176442 560291446 /nfs/dbraw/zinc/29/14/46/560291446.db2.gz DUAAKWLBEYOZGZ-SFHVURJKSA-N 1 0 352.438 2.216 20 30 FEEDRO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](CC(C)(C)C(N)=O)C1 ZINC000451214422 560293667 /nfs/dbraw/zinc/29/36/67/560293667.db2.gz WKJTXVIOSJVEOO-ZRGWGRIASA-N 1 0 350.507 2.043 20 30 FEEDRO CO[C@@H]1C[C@@H]([NH2+]CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1(C)C ZINC000451512403 560311301 /nfs/dbraw/zinc/31/13/01/560311301.db2.gz XLJQSONYMDTKTB-HZPDHXFCSA-N 1 0 353.426 2.086 20 30 FEEDRO CCOC(=O)[C@@H]1CCCC[C@@H]1[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000451592012 560316426 /nfs/dbraw/zinc/31/64/26/560316426.db2.gz PQOAIWRNENYEHL-SJORKVTESA-N 1 0 364.467 2.043 20 30 FEEDRO N#Cc1ccc(N2CCC[C@H]([NH2+][C@@H]([C@H](CO)C3CC3)C3CC3)C2=O)cc1 ZINC000451614817 560317490 /nfs/dbraw/zinc/31/74/90/560317490.db2.gz PASRUDXRQUZNED-HSALFYBXSA-N 1 0 353.466 2.440 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]CC(=O)N(C)CC(=O)Nc1ccccc1Cl ZINC000451682679 560321645 /nfs/dbraw/zinc/32/16/45/560321645.db2.gz SEVYMUNMTCAXKM-CVEARBPZSA-N 1 0 365.861 2.060 20 30 FEEDRO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1C[C@H](C(=O)OC)[C@H](c2ccccc2)C1 ZINC000451996048 560343842 /nfs/dbraw/zinc/34/38/42/560343842.db2.gz PBYPZIIMWGKZII-WDSOQIARSA-N 1 0 356.466 2.464 20 30 FEEDRO C[NH+](C)[C@H]1CCc2cc(NC(=O)C(=O)NCc3ccc(C#N)cc3)ccc21 ZINC000453563485 560388858 /nfs/dbraw/zinc/38/88/58/560388858.db2.gz DRESZLKJMOGPDZ-IBGZPJMESA-N 1 0 362.433 2.362 20 30 FEEDRO CC(C)(C)Oc1ccc(NC(=O)C(=O)NCCC[NH+]2CCCC2)cc1C#N ZINC000453587176 560389791 /nfs/dbraw/zinc/38/97/91/560389791.db2.gz STXJUNINGAWMLM-UHFFFAOYSA-N 1 0 372.469 2.276 20 30 FEEDRO N#CCc1cccc(NC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000453675738 560395747 /nfs/dbraw/zinc/39/57/47/560395747.db2.gz SEIKUMWNQOKZEL-APWZRJJASA-N 1 0 366.465 2.166 20 30 FEEDRO Cc1cc(C#N)cc(NC(=O)C(=O)N2CCC(CCC[NH+](C)C)CC2)c1 ZINC000453679428 560396023 /nfs/dbraw/zinc/39/60/23/560396023.db2.gz BVCPJTGMURNTQV-UHFFFAOYSA-N 1 0 356.470 2.386 20 30 FEEDRO CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)Nc1ccc(CC#N)cc1Cl ZINC000453692155 560397080 /nfs/dbraw/zinc/39/70/80/560397080.db2.gz LOHCCULJSXICGN-UHFFFAOYSA-N 1 0 362.861 2.287 20 30 FEEDRO CN(C[C@H]1CC[N@H+](C)C1)C(=O)C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 ZINC000453703502 560398065 /nfs/dbraw/zinc/39/80/65/560398065.db2.gz BTETVVHUAMYUDD-AWEZNQCLSA-N 1 0 372.469 2.084 20 30 FEEDRO C[NH+](C)[C@H]1CCc2cc(NC(=O)C(=O)N(CCC#N)CC3CC3)ccc21 ZINC000453710674 560398659 /nfs/dbraw/zinc/39/86/59/560398659.db2.gz PSBSFJDGGNNFMO-SFHVURJKSA-N 1 0 354.454 2.326 20 30 FEEDRO Cc1nc(NC(=O)C(=O)N[C@@H](C)[C@H](c2ccccc2)[NH+](C)C)ccc1C#N ZINC000453732166 560400228 /nfs/dbraw/zinc/40/02/28/560400228.db2.gz CVWCNMOVOYDCPW-KBXCAEBGSA-N 1 0 365.437 2.008 20 30 FEEDRO N#CCc1ccc(NC(=O)C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)c(Cl)c1 ZINC000453752026 560401671 /nfs/dbraw/zinc/40/16/71/560401671.db2.gz QGVDATNCLBAEGX-HNNXBMFYSA-N 1 0 374.872 2.478 20 30 FEEDRO C=CCC1(CNC(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CCCC1 ZINC000454644526 560452672 /nfs/dbraw/zinc/45/26/72/560452672.db2.gz IBYMAMHFKMYHPU-KRWDZBQOSA-N 1 0 364.534 2.365 20 30 FEEDRO C[C@H]1CN(C(=O)N=c2ccn(CCC#N)[nH]2)CC[N@H+](Cc2ccccc2)C1 ZINC000454825408 560459765 /nfs/dbraw/zinc/45/97/65/560459765.db2.gz JPFLDRJRLCVSRK-QGZVFWFLSA-N 1 0 366.469 2.783 20 30 FEEDRO COCC1(C#N)CCN(C(=O)N[C@@H](CC(C)C)C[NH+]2CCCC2)CC1 ZINC000455187349 560473229 /nfs/dbraw/zinc/47/32/29/560473229.db2.gz IWWNZQOKKXCPCC-KRWDZBQOSA-N 1 0 350.507 2.459 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1NC(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000455416231 560481412 /nfs/dbraw/zinc/48/14/12/560481412.db2.gz QXSQMRNLTIPOND-QRVBRYPASA-N 1 0 359.470 2.475 20 30 FEEDRO COc1cc[nH+]c(N2CCN(C(=O)Nc3cnc(C#N)c(Cl)c3)CC2)c1 ZINC000455773863 560494518 /nfs/dbraw/zinc/49/45/18/560494518.db2.gz BZQVNZODQDJPCV-UHFFFAOYSA-N 1 0 372.816 2.364 20 30 FEEDRO C=CCC[C@@H](CO)NC(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000457447157 560567500 /nfs/dbraw/zinc/56/75/00/560567500.db2.gz XZDPRGUODROLSW-PKOBYXMFSA-N 1 0 361.486 2.458 20 30 FEEDRO C=CCC[C@H](CO)NC(=O)NC[C@@H](c1ccccc1OC)[NH+]1CCCC1 ZINC000457489240 560570062 /nfs/dbraw/zinc/57/00/62/560570062.db2.gz SNKLGKMCKKBJGA-AEFFLSMTSA-N 1 0 361.486 2.458 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N2CCN(CC(F)(F)F)C[C@@H](C)C2)CC1 ZINC000458345446 560615872 /nfs/dbraw/zinc/61/58/72/560615872.db2.gz VGXZIENOOGGWFF-CQSZACIVSA-N 1 0 362.440 2.162 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N2CCN(CC(F)(F)F)C[C@H](C)C2)CC1 ZINC000458345441 560615913 /nfs/dbraw/zinc/61/59/13/560615913.db2.gz VGXZIENOOGGWFF-AWEZNQCLSA-N 1 0 362.440 2.162 20 30 FEEDRO C=CCOc1ccccc1CNC(=O)NC(C)(C)CN1CC[NH+](CC)CC1 ZINC000458379276 560618563 /nfs/dbraw/zinc/61/85/63/560618563.db2.gz NGQALLKBWIKDPA-UHFFFAOYSA-N 1 0 374.529 2.467 20 30 FEEDRO N#C[C@@H]1CCC[C@@H]1NCC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000459444843 560686941 /nfs/dbraw/zinc/68/69/41/560686941.db2.gz BFRPCDWRBAXIIO-WMZOPIPTSA-N 1 0 358.511 2.456 20 30 FEEDRO CN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000459953476 560723359 /nfs/dbraw/zinc/72/33/59/560723359.db2.gz WRYKVVHKQYIMOE-UHFFFAOYSA-N 1 0 370.497 2.097 20 30 FEEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CC[C@@H]([NH+](CC)CC)C1 ZINC000459964275 560724369 /nfs/dbraw/zinc/72/43/69/560724369.db2.gz ALOPFHIBZJUOAL-LJQANCHMSA-N 1 0 370.497 2.240 20 30 FEEDRO COc1c[nH+]ccc1N1CCN(C(=O)[C@@H](C)c2cccc(C#N)c2)CC1 ZINC000462338899 560806692 /nfs/dbraw/zinc/80/66/92/560806692.db2.gz GOBOURBKXKSBDB-HNNXBMFYSA-N 1 0 350.422 2.414 20 30 FEEDRO CCOC(=O)[C@](C)(C[NH2+][C@@H](C)C(=O)NC1(C#N)CCC1)c1ccccc1 ZINC000469276877 560951588 /nfs/dbraw/zinc/95/15/88/560951588.db2.gz WOGICVRWUGSGCW-HNAYVOBHSA-N 1 0 357.454 2.048 20 30 FEEDRO N#Cc1cc(C(=O)N[C@H](Cc2ccccc2)CN2CCOCC2)ccc1F ZINC000469667500 560961144 /nfs/dbraw/zinc/96/11/44/560961144.db2.gz PYBQINSJFRRFIC-LJQANCHMSA-N 1 0 367.424 2.371 20 30 FEEDRO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)CCOc1ccc(C(F)(F)F)cc1 ZINC000469749181 560963691 /nfs/dbraw/zinc/96/36/91/560963691.db2.gz SELQVKJUHDOKLS-GFCCVEGCSA-N 1 0 373.375 2.416 20 30 FEEDRO CC[NH+](CC)CCO[C@H]1CCN([C@@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000472282563 561023058 /nfs/dbraw/zinc/02/30/58/561023058.db2.gz FTSARYSNAMXOCB-WMZOPIPTSA-N 1 0 358.486 2.318 20 30 FEEDRO N#CCNC(=O)C[NH2+][C@@H](Cc1ccccn1)c1ccc(Br)cc1 ZINC000475741575 561104294 /nfs/dbraw/zinc/10/42/94/561104294.db2.gz YODWKKGWYIDXJY-INIZCTEOSA-N 1 0 373.254 2.357 20 30 FEEDRO Cc1cc(NC(=O)c2cnn(C)c2C#N)ccc1OCC[NH+]1CCCC1 ZINC000476093615 561111113 /nfs/dbraw/zinc/11/11/13/561111113.db2.gz ZIWKIKUXOUGMSL-UHFFFAOYSA-N 1 0 353.426 2.327 20 30 FEEDRO C[C@H]1C[C@H](CCNC(=O)c2cnn(C)c2C#N)C[N@@H+]1Cc1ccccc1 ZINC000476453279 561119883 /nfs/dbraw/zinc/11/98/83/561119883.db2.gz CEPXFGKTQILTCK-RDJZCZTQSA-N 1 0 351.454 2.322 20 30 FEEDRO C[C@H](C[NH+]1CCCCCC1)NS(=O)(=O)Cc1cc(C#N)ccc1F ZINC000476616159 561124429 /nfs/dbraw/zinc/12/44/29/561124429.db2.gz ZKNRKVPNRJVPJL-CQSZACIVSA-N 1 0 353.463 2.381 20 30 FEEDRO Cc1nccc([C@H]2CCC[N@H+](C[C@H](O)COc3ccccc3C#N)C2)n1 ZINC000528357138 562324617 /nfs/dbraw/zinc/32/46/17/562324617.db2.gz UDBYOQMGZBNBHL-ROUUACIJSA-N 1 0 352.438 2.276 20 30 FEEDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)Cc1ccc(C#N)nc1 ZINC000528513263 562333364 /nfs/dbraw/zinc/33/33/64/562333364.db2.gz SFFJIQQLEFILCK-FQEVSTJZSA-N 1 0 363.465 2.404 20 30 FEEDRO N#Cc1cccc(Oc2ccc(NC(=O)NC3(C[NH3+])CCOCC3)cn2)c1 ZINC000528667819 562340980 /nfs/dbraw/zinc/34/09/80/562340980.db2.gz DPHLGTFCRWQRAA-UHFFFAOYSA-N 1 0 367.409 2.375 20 30 FEEDRO CC(C)C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N1CC(O)(CC#N)C1 ZINC000529066168 562358604 /nfs/dbraw/zinc/35/86/04/562358604.db2.gz ATZSIWMLBSGHFP-RTBURBONSA-N 1 0 355.482 2.268 20 30 FEEDRO COCc1ccc(NC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)cc1C#N ZINC000529219398 562365241 /nfs/dbraw/zinc/36/52/41/562365241.db2.gz WBQXOJCJPDARIA-SFHVURJKSA-N 1 0 360.458 2.183 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H]2[C@H]3Cc4cc(Cl)ccc4[C@@H]23)nc1 ZINC000530237817 562403350 /nfs/dbraw/zinc/40/33/50/562403350.db2.gz ZIMQUVLMIXUVII-CGTJXYLNSA-N 1 0 373.865 2.308 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cccc3c2OC(C)(C)C3)CC1 ZINC000530444157 562411466 /nfs/dbraw/zinc/41/14/66/562411466.db2.gz UBFWYRFNIAYUIZ-UHFFFAOYSA-N 1 0 357.454 2.105 20 30 FEEDRO N#CC1(CS(=O)(=O)N2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)CCCC1 ZINC000530537976 562415330 /nfs/dbraw/zinc/41/53/30/562415330.db2.gz QVXKOBRZGUYVNT-KDURUIRLSA-N 1 0 373.522 2.464 20 30 FEEDRO CC(C)[N@H+](C)CC1CCN(S(=O)(=O)c2ccc(F)cc2C#N)CC1 ZINC000533095964 562498284 /nfs/dbraw/zinc/49/82/84/562498284.db2.gz KPECGGKRNPSMII-UHFFFAOYSA-N 1 0 353.463 2.438 20 30 FEEDRO C=C(C)[C@H](CC(=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO)OCC ZINC000534185283 562527131 /nfs/dbraw/zinc/52/71/31/562527131.db2.gz LDUVQCRPYMSITJ-UFYCRDLUSA-N 1 0 360.498 2.357 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)Cc2c[nH]c3cccc(C)c23)c1C#N ZINC000534797751 562542597 /nfs/dbraw/zinc/54/25/97/562542597.db2.gz FNFNHUXXNUDAIC-UHFFFAOYSA-N 1 0 350.426 2.404 20 30 FEEDRO CN(CC[N@H+](C)C1CCN(C)CC1)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000537034750 562584403 /nfs/dbraw/zinc/58/44/03/562584403.db2.gz WHFXVZRRILRHMD-UHFFFAOYSA-N 1 0 368.485 2.066 20 30 FEEDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)N2CCC(CC#N)CC2)[C@@H](C)C1 ZINC000541921106 562623390 /nfs/dbraw/zinc/62/33/90/562623390.db2.gz ZOPGGBYGSBQVSE-FUHWJXTLSA-N 1 0 350.507 2.459 20 30 FEEDRO Cn1cc(C#N)cc1-c1nc(-c2ccc(N3CCC[N@H+](C)CC3)nc2)no1 ZINC000545656742 562629613 /nfs/dbraw/zinc/62/96/13/562629613.db2.gz SGICBKNFRDEEOP-UHFFFAOYSA-N 1 0 363.425 2.151 20 30 FEEDRO Cc1ccc(CN2CC[C@H]([NH2+]C[C@H](O)CC3(C#N)CCOCC3)C2)cc1 ZINC000601966400 567889150 /nfs/dbraw/zinc/88/91/50/567889150.db2.gz AJJUGONQMBVOTO-VQTJNVASSA-N 1 0 357.498 2.230 20 30 FEEDRO CN(C(=O)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1)[C@@H]1CCC[C@H]1C#N ZINC000602075735 567917093 /nfs/dbraw/zinc/91/70/93/567917093.db2.gz LOIIBWGLOTWHQQ-PKOBYXMFSA-N 1 0 368.481 2.414 20 30 FEEDRO CN(C(=O)C(=O)Nc1cccc2c1OCC[C@H]2[NH+](C)C)[C@H]1CCC[C@H]1C#N ZINC000602068541 567924727 /nfs/dbraw/zinc/92/47/27/567924727.db2.gz QYGWALVMOZRBRY-RRQGHBQHSA-N 1 0 370.453 2.161 20 30 FEEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]CCOc1ccc(S(C)(=O)=O)cc1 ZINC000602539324 567992737 /nfs/dbraw/zinc/99/27/37/567992737.db2.gz JOIQJOASRVSQKF-OAHLLOKOSA-N 1 0 366.483 2.157 20 30 FEEDRO C[C@@H]1C[N@@H+](CCCN2CCN(c3ccccc3)CC2)C[C@H](C)N1CC#N ZINC000602849388 568000955 /nfs/dbraw/zinc/00/09/55/568000955.db2.gz LAZCYVACKSJYSM-BGYRXZFFSA-N 1 0 355.530 2.117 20 30 FEEDRO C[C@@H]1C[NH+](CCC(=O)N[C@H]2CCCc3ccccc32)C[C@@H](C)N1CC#N ZINC000602858782 568003026 /nfs/dbraw/zinc/00/30/26/568003026.db2.gz VDXPJJUGBYWSDU-HLIPFELVSA-N 1 0 354.498 2.488 20 30 FEEDRO N#CC1(C[C@H](O)C[N@@H+]2CC[C@H](Oc3cncc(Br)c3)C2)CC1 ZINC000602886097 568005627 /nfs/dbraw/zinc/00/56/27/568005627.db2.gz JCAZKSRLLRWFRA-KBPBESRZSA-N 1 0 366.259 2.352 20 30 FEEDRO CS(=O)(=O)N1CCC[C@@H]([NH2+]Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000568455844 568039768 /nfs/dbraw/zinc/03/97/68/568039768.db2.gz GCFVNDWKWCAIBV-CYBMUJFWSA-N 1 0 361.389 2.091 20 30 FEEDRO CC(C)[C@H](C#N)N1CCN(CC(=O)NCCc2ccc(Cl)cc2)CC1 ZINC000609487015 568346644 /nfs/dbraw/zinc/34/66/44/568346644.db2.gz VFDAGYVDHGWMGC-SFHVURJKSA-N 1 0 362.905 2.164 20 30 FEEDRO COC(=O)c1cccc(C[NH2+][C@@H]2CCCC[C@@H]2N2CCOCC2)c1C#N ZINC000569777930 568423954 /nfs/dbraw/zinc/42/39/54/568423954.db2.gz UTCJXOXTAPSYRG-MOPGFXCFSA-N 1 0 357.454 2.078 20 30 FEEDRO C[C@@H](Cc1ccc(Br)c(F)c1)[NH2+]CCn1cnc(C#N)n1 ZINC000556919046 674427962 /nfs/dbraw/zinc/42/79/62/674427962.db2.gz CMLLLGUNHSQIQU-JTQLQIEISA-N 1 0 352.211 2.272 20 30 FEEDRO CC(C)[C@@H]1CCc2c(C#N)c(NC(=O)C(=O)N(C)CCC[NH3+])sc2C1 ZINC000557002673 674432081 /nfs/dbraw/zinc/43/20/81/674432081.db2.gz DCWCLJFDHHMJRE-GFCCVEGCSA-N 1 0 362.499 2.126 20 30 FEEDRO C[C@H]([NH2+][C@@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O)c1cccc(C#N)c1 ZINC000820413527 599388429 /nfs/dbraw/zinc/38/84/29/599388429.db2.gz RLKGQPJVJIGHCG-SCLBCKFNSA-N 1 0 373.420 2.194 20 30 FEEDRO C=CC[N@@H+](CCC(=O)N1CCC[C@@H]1C)Cc1cccc(-c2nn[nH]n2)c1 ZINC000819744135 599566317 /nfs/dbraw/zinc/56/63/17/599566317.db2.gz XLRUTMNDNHSUTI-HNNXBMFYSA-N 1 0 354.458 2.256 20 30 FEEDRO C[N@H+](Cc1ccccc1)[C@@H](CNS(=O)(=O)c1ccc(C#N)o1)C1CC1 ZINC000557836636 674469622 /nfs/dbraw/zinc/46/96/22/674469622.db2.gz SUJQSGBRICFTOM-KRWDZBQOSA-N 1 0 359.451 2.340 20 30 FEEDRO C#CC[N@H+](Cc1ccc(F)cc1)C[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000819701699 606888489 /nfs/dbraw/zinc/88/84/89/606888489.db2.gz LEDKYZCZHYHFJL-SFHVURJKSA-N 1 0 351.385 2.175 20 30 FEEDRO CO[C@@H]1COC[C@H]1[NH2+]CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000563083294 674847513 /nfs/dbraw/zinc/84/75/13/674847513.db2.gz FWGGOMUXXWWCKB-KCPJHIHWSA-N 1 0 363.483 2.077 20 30 FEEDRO Cc1c[nH]nc1C=NNC(=S)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000814727068 674876407 /nfs/dbraw/zinc/87/64/07/674876407.db2.gz HKZKMYOKHNSPOO-UHFFFAOYSA-N 1 0 356.499 2.181 20 30 FEEDRO C#CC[N@@H+](C)CCCNc1ccc(S(=O)(=O)N(C(C)C)C(C)C)cn1 ZINC000814930015 674888974 /nfs/dbraw/zinc/88/89/74/674888974.db2.gz RPGATWUXLDRDEA-UHFFFAOYSA-N 1 0 366.531 2.256 20 30 FEEDRO COc1ccc([C@H](C)[NH2+]C[C@H](O)CN(C)CCC#N)cc1Br ZINC000563852851 674946454 /nfs/dbraw/zinc/94/64/54/674946454.db2.gz HAUVMPJFJKMHEK-JSGCOSHPSA-N 1 0 370.291 2.315 20 30 FEEDRO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C(=O)Nc1sccc1C#N ZINC000815594125 674961079 /nfs/dbraw/zinc/96/10/79/674961079.db2.gz HBOGHLKXVVSTHY-UHFFFAOYSA-N 1 0 356.451 2.278 20 30 FEEDRO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[C@@H](C)CC(=O)N1)C2 ZINC001048526572 675008895 /nfs/dbraw/zinc/00/88/95/675008895.db2.gz WCZFCULICHFXNV-YMILTQATSA-N 1 0 353.894 2.013 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3ccc(Cl)nc3)C[C@@H]2C1 ZINC001049069969 675022393 /nfs/dbraw/zinc/02/23/93/675022393.db2.gz ZDBTZMKLZFLODO-TWMKSMIVSA-N 1 0 361.873 2.216 20 30 FEEDRO COc1cc(C#N)cc(Br)c1OC[C@@H](O)C[N@H+](C)C1CC1 ZINC000564559620 675036733 /nfs/dbraw/zinc/03/67/33/675036733.db2.gz XAMYMNOADFVBBM-LBPRGKRZSA-N 1 0 355.232 2.163 20 30 FEEDRO C[C@H](CC#N)N(C)S(=O)(=O)NC[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000565083674 675093614 /nfs/dbraw/zinc/09/36/14/675093614.db2.gz OFAIGPULWOBLSN-UKRRQHHQSA-N 1 0 372.922 2.054 20 30 FEEDRO C=C(Br)CNC(=[NH+]C)N1CCN(c2ccc(F)cc2)CC1 ZINC000073163141 670500597 /nfs/dbraw/zinc/50/05/97/670500597.db2.gz UVMDGXPQFZBSMQ-UHFFFAOYSA-N 1 0 355.255 2.432 20 30 FEEDRO C#CCOc1ccc(Br)cc1C[NH2+][C@H]1CCC(=O)N(C)C1 ZINC000084060238 670664031 /nfs/dbraw/zinc/66/40/31/670664031.db2.gz NJMQDEIRSUIGRE-AWEZNQCLSA-N 1 0 351.244 2.172 20 30 FEEDRO [NH2+]=C(NC[C@H](c1cccc(Cl)c1)N1CCOCC1)N1CCSCC1 ZINC000104192750 670790952 /nfs/dbraw/zinc/79/09/52/670790952.db2.gz DHYCPHQQAHCZJI-MRXNPFEDSA-N 1 0 368.934 2.077 20 30 FEEDRO CCS(=O)(=O)N(C)C1CC[NH+](CCCOc2ccc(C#N)cc2)CC1 ZINC000109009766 670835215 /nfs/dbraw/zinc/83/52/15/670835215.db2.gz NEINPDUFRRDJRS-UHFFFAOYSA-N 1 0 365.499 2.073 20 30 FEEDRO N#Cc1c(Br)cccc1S(=O)(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000571881485 670936142 /nfs/dbraw/zinc/93/61/42/670936142.db2.gz QTJGKMVSGLOKGU-LLVKDONJSA-N 1 0 372.288 2.131 20 30 FEEDRO Cc1cccc2c1OC[C@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)C2 ZINC000572596055 671021228 /nfs/dbraw/zinc/02/12/28/671021228.db2.gz FGBOPLNZKKOBNX-QGZVFWFLSA-N 1 0 356.447 2.234 20 30 FEEDRO Cc1cn2c(n1)[C@@H](C[NH2+]CCS(=O)(=O)c1cccc(C#N)c1)CCC2 ZINC000566114168 675182421 /nfs/dbraw/zinc/18/24/21/675182421.db2.gz BKVQJIYWVGXQMW-MRXNPFEDSA-N 1 0 358.467 2.004 20 30 FEEDRO C=CCOCC[N@@H+]1CCC[C@H](S(=O)(=O)N2CCc3ccccc32)C1 ZINC000575818730 671323562 /nfs/dbraw/zinc/32/35/62/671323562.db2.gz XWOPKGSAXKXVMO-KRWDZBQOSA-N 1 0 350.484 2.046 20 30 FEEDRO C=CCOc1c(Br)cc(C[N@H+](C)[C@@H]2COC[C@H]2O)cc1OC ZINC000576789098 671394498 /nfs/dbraw/zinc/39/44/98/671394498.db2.gz BHHGGGFWXWBAON-ZIAGYGMSSA-N 1 0 372.259 2.214 20 30 FEEDRO CN(CCC#N)C[C@H](O)C[NH2+][C@H]1C[C@H](c2ccc(Br)cc2)C1 ZINC000578065323 671638014 /nfs/dbraw/zinc/63/80/14/671638014.db2.gz YRPNVEGBLCKDCJ-DJIMGWMZSA-N 1 0 366.303 2.491 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+]CCC[C@H]2CCCC[C@@H]2O)cc1 ZINC000579108411 671712635 /nfs/dbraw/zinc/71/26/35/671712635.db2.gz BYMAUIFOSDLBJY-AEFFLSMTSA-N 1 0 350.484 2.253 20 30 FEEDRO C[N@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)CC(C)(C)S(C)(=O)=O ZINC000124299175 671994282 /nfs/dbraw/zinc/99/42/82/671994282.db2.gz ZVXUXEXQRFVHPG-UHFFFAOYSA-N 1 0 371.890 2.295 20 30 FEEDRO N#Cc1ncc(NC(=O)N2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)cc1Cl ZINC000582833555 672038104 /nfs/dbraw/zinc/03/81/04/672038104.db2.gz HBWHBPJCVDVIGY-GDBMZVCRSA-N 1 0 363.849 2.357 20 30 FEEDRO C[NH+](C)[C@@]1(CNC(=O)[C@H]2CCCN2c2ccc(C#N)cc2)CCSC1 ZINC000610497288 675975913 /nfs/dbraw/zinc/97/59/13/675975913.db2.gz YSXCAEGCPFVSJW-IEBWSBKVSA-N 1 0 358.511 2.081 20 30 FEEDRO CSC[C@@H]1CCC[N@@H+]1CN1CC(=O)N(Cc2ccccc2C#N)C1=O ZINC000131004658 672082719 /nfs/dbraw/zinc/08/27/19/672082719.db2.gz OGRGGXCEAVNBGZ-INIZCTEOSA-N 1 0 358.467 2.107 20 30 FEEDRO Cc1nnc(-c2cccc(C#N)c2)n1C[N@@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000131138958 672084448 /nfs/dbraw/zinc/08/44/48/672084448.db2.gz MTVJVEMVRVQEKT-IRXDYDNUSA-N 1 0 355.467 2.289 20 30 FEEDRO CN(CCC#N)C(=O)CC[N@@H+]1CCCC[C@H]1CNC(=O)OC(C)(C)C ZINC000131403861 672087830 /nfs/dbraw/zinc/08/78/30/672087830.db2.gz RSSTXRVOLDPSGO-HNNXBMFYSA-N 1 0 352.479 2.128 20 30 FEEDRO CC(C)CN(CC(F)(F)F)C(=O)CON=C(N)C[NH+]1CCCCCC1 ZINC000151529936 672164644 /nfs/dbraw/zinc/16/46/44/672164644.db2.gz UUAJWHIKNKXJLS-UHFFFAOYSA-N 1 0 366.428 2.198 20 30 FEEDRO Cc1sc(NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C)nc1C(C)C ZINC000584242921 672169297 /nfs/dbraw/zinc/16/92/97/672169297.db2.gz JIEBTCQQGDDFPY-UHFFFAOYSA-N 1 0 365.503 2.207 20 30 FEEDRO C[NH+]=C(NCc1nccs1)N[C@@H]1CCN(c2c(F)cccc2F)C1 ZINC000154767024 672221292 /nfs/dbraw/zinc/22/12/92/672221292.db2.gz FCYZSBWOHXNNJL-LLVKDONJSA-N 1 0 351.426 2.365 20 30 FEEDRO C[NH+]=C(NCc1nc(C)cs1)N[C@@H]1CCN(c2ncccc2Cl)C1 ZINC000158976427 672275318 /nfs/dbraw/zinc/27/53/18/672275318.db2.gz FDWBQWUPFHRYDN-GFCCVEGCSA-N 1 0 364.906 2.444 20 30 FEEDRO COc1cc(CNC(=[NH2+])NC[C@@H]2CCCO2)ccc1OCC(F)(F)F ZINC000161516890 672297836 /nfs/dbraw/zinc/29/78/36/672297836.db2.gz XTRPJLXGNDXVHT-LBPRGKRZSA-N 1 0 361.364 2.220 20 30 FEEDRO CCN(CCC#N)C(=O)C[N@H+](C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000174824082 672363859 /nfs/dbraw/zinc/36/38/59/672363859.db2.gz KFSIIHIAIYBJRL-UHFFFAOYSA-N 1 0 352.479 2.080 20 30 FEEDRO C=CC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000179210368 672399945 /nfs/dbraw/zinc/39/99/45/672399945.db2.gz ZOKZEPCUAGKFQZ-HZPDHXFCSA-N 1 0 351.491 2.400 20 30 FEEDRO C[NH+]=C(NCc1cc(F)ccc1Br)N1CCO[C@H](COC)C1 ZINC000179270158 672400586 /nfs/dbraw/zinc/40/05/86/672400586.db2.gz KOZYDLQDDLAGHB-ZDUSSCGKSA-N 1 0 374.254 2.011 20 30 FEEDRO N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CC[C@H](n3cc(Cl)cn3)C2)cc1 ZINC000589309742 672521287 /nfs/dbraw/zinc/52/12/87/672521287.db2.gz FQAVLTFGLLFRPS-IRXDYDNUSA-N 1 0 360.845 2.289 20 30 FEEDRO CC(C)[NH+]=C(NCC(=O)N(C)C)N1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000185546421 672529209 /nfs/dbraw/zinc/52/92/09/672529209.db2.gz FCHJRVFJUAVCGF-CQSZACIVSA-N 1 0 366.893 2.235 20 30 FEEDRO CN1CCO[C@H]([C@H]([NH2+]C2CCN(CC#N)CC2)c2ccc(Cl)cc2)C1 ZINC000611264520 676028671 /nfs/dbraw/zinc/02/86/71/676028671.db2.gz HXNSWBSVDUQFRX-RBUKOAKNSA-N 1 0 362.905 2.289 20 30 FEEDRO CN1CCO[C@@H]([C@H]([NH2+]C2CCN(CC#N)CC2)c2ccc(Cl)cc2)C1 ZINC000611264521 676028680 /nfs/dbraw/zinc/02/86/80/676028680.db2.gz HXNSWBSVDUQFRX-RTBURBONSA-N 1 0 362.905 2.289 20 30 FEEDRO CN(CCC#N)C(=O)CC[NH2+][C@](C)(CO)c1cccc(C(F)(F)F)c1 ZINC000611302688 676031279 /nfs/dbraw/zinc/03/12/79/676031279.db2.gz WQRIYFFIIGEVPC-MRXNPFEDSA-N 1 0 357.376 2.265 20 30 FEEDRO C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2scc(C(C)(C)C)c2C#N)C1 ZINC000590226859 672566749 /nfs/dbraw/zinc/56/67/49/672566749.db2.gz VVPGMBKBDPBIDP-LBPRGKRZSA-N 1 0 362.499 2.314 20 30 FEEDRO N#CC1(c2ccccc2)CCC([NH2+]CCCN2CCCS2(=O)=O)CC1 ZINC000611335616 676032768 /nfs/dbraw/zinc/03/27/68/676032768.db2.gz ZCEBOLXRRWRMTO-UHFFFAOYSA-N 1 0 361.511 2.406 20 30 FEEDRO C[C@@H]1[C@H]([NH+](C)C)CCN1S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000590589079 672593271 /nfs/dbraw/zinc/59/32/71/672593271.db2.gz LKTYMTTTYKZEKO-QMTHXVAHSA-N 1 0 361.389 2.290 20 30 FEEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000591292271 672666818 /nfs/dbraw/zinc/66/68/18/672666818.db2.gz DQZKSQBESZXWPS-KGLIPLIRSA-N 1 0 360.483 2.135 20 30 FEEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CCC(C)([NH3+])CC1 ZINC000591303216 672667606 /nfs/dbraw/zinc/66/76/06/672667606.db2.gz NVJCHALWMXHINX-ZDUSSCGKSA-N 1 0 360.483 2.359 20 30 FEEDRO COc1cc(NC(=O)N2CC[C@@](F)(C#N)C2)ccc1OCC[NH+](C)C ZINC000591352021 672675275 /nfs/dbraw/zinc/67/52/75/672675275.db2.gz OTNRMSCNYQFGLJ-QGZVFWFLSA-N 1 0 350.394 2.105 20 30 FEEDRO N#CCN1CCC([NH2+]CCC(=O)Nc2cccc(Br)c2)CC1 ZINC000591736836 672706669 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[NH2+]=C(NCCNC(=O)c1ccco1)Nc1ccc(OC(F)(F)F)cc1 ZINC000303782733 673017497 /nfs/dbraw/zinc/01/74/97/673017497.db2.gz NNFFCRBWQGJHEO-UHFFFAOYSA-N 1 0 356.304 2.335 20 30 FEEDRO CCCCCCNC(=[NH2+])NCCN1CCN(C(=O)OC(C)(C)C)CC1 ZINC000303872691 673017954 /nfs/dbraw/zinc/01/79/54/673017954.db2.gz GNKBHPJRZHSWRG-UHFFFAOYSA-N 1 0 355.527 2.024 20 30 FEEDRO CCOc1ccc(C2(CNC(=[NH2+])N3CCSCC3)CCOCC2)cc1 ZINC000303898290 673018480 /nfs/dbraw/zinc/01/84/80/673018480.db2.gz VLRQCRWGDAUCKL-UHFFFAOYSA-N 1 0 363.527 2.497 20 30 FEEDRO CCCCNC(=[NH2+])NCCCNC(=O)c1cccc(Br)c1 ZINC000303989434 673019716 /nfs/dbraw/zinc/01/97/16/673019716.db2.gz XOLJRLFRBWYLMB-UHFFFAOYSA-N 1 0 355.280 2.273 20 30 FEEDRO COc1ccc(NC(=[NH2+])NCCNc2nccc(C(F)(F)F)n2)cc1 ZINC000304745116 673020223 /nfs/dbraw/zinc/02/02/23/673020223.db2.gz FAQVVYMDCGQPES-UHFFFAOYSA-N 1 0 354.336 2.343 20 30 FEEDRO CC(C)OC(=O)C[C@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)C(C)C ZINC000594047807 673025393 /nfs/dbraw/zinc/02/53/93/673025393.db2.gz 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N#C[C@@H]1CCC[C@@H]([NH2+]CCNC(=O)c2ccc(Br)cn2)C1 ZINC000595056156 673189752 /nfs/dbraw/zinc/18/97/52/673189752.db2.gz BLPYEROBSWXKMT-DGCLKSJQSA-N 1 0 351.248 2.246 20 30 FEEDRO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N[C@H](CC[NH3+])C(F)F ZINC000595109792 673194578 /nfs/dbraw/zinc/19/45/78/673194578.db2.gz QFVNWDJMZPELQR-LLVKDONJSA-N 1 0 359.423 2.342 20 30 FEEDRO CCN(C(=O)C(=O)Nc1scc(C(C)(C)C)c1C#N)[C@H]1CC[N@H+](C)C1 ZINC000595110171 673194594 /nfs/dbraw/zinc/19/45/94/673194594.db2.gz ICJDSXAQQMCJRJ-LBPRGKRZSA-N 1 0 362.499 2.408 20 30 FEEDRO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000595242073 673212923 /nfs/dbraw/zinc/21/29/23/673212923.db2.gz PUJBVFIFPHJIPM-UONOGXRCSA-N 1 0 362.499 2.366 20 30 FEEDRO CC1CC[NH+](CCNC(=O)N2CCN(c3ccsc3C#N)CC2)CC1 ZINC000595452526 673252502 /nfs/dbraw/zinc/25/25/02/673252502.db2.gz AJLAMITWVSAYDW-UHFFFAOYSA-N 1 0 361.515 2.183 20 30 FEEDRO CC(C)[N@H+](C)C[C@@H](O)CN1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC000595463983 673254270 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UOAKGNPQWALFCC-CABCVRRESA-N 1 0 357.845 2.043 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[N@H+](CC[C@H]2CCCO2)CC1 ZINC000982135066 680270533 /nfs/dbraw/zinc/27/05/33/680270533.db2.gz PIXGWSFJRGPKEQ-QYZOEREBSA-N 1 0 350.503 2.461 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[N@H+](C[C@H]2CCCOC2)CC1 ZINC000982134882 680270696 /nfs/dbraw/zinc/27/06/96/680270696.db2.gz LHTCUYVUYPBKMT-QYZOEREBSA-N 1 0 350.503 2.319 20 30 FEEDRO C=CC(C)(C)C[NH2+][C@@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000834883699 680279718 /nfs/dbraw/zinc/27/97/18/680279718.db2.gz OXCPINIGTFRYPZ-ZDUSSCGKSA-N 1 0 374.528 2.275 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@H](C[NH2+]Cc2cnns2)C1 ZINC001024191767 680283210 /nfs/dbraw/zinc/28/32/10/680283210.db2.gz DGGHZKKOBXHCEC-PVAVHDDUSA-N 1 0 364.515 2.238 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@]2(C)C[N@@H+](C[C@@H](C)OC)C[C@]2(C)C1 ZINC000982642664 680283757 /nfs/dbraw/zinc/28/37/57/680283757.db2.gz SLSBOLAKBGAODC-QQBOBMDFSA-N 1 0 350.503 2.173 20 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C=C(Br)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2ccnn2C)C1 ZINC000999775099 680412975 /nfs/dbraw/zinc/41/29/75/680412975.db2.gz DYPNMINIUYNCQM-BFHYXJOUSA-N 1 0 367.291 2.013 20 30 FEEDRO C=C(Br)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2ccnn2C)C1 ZINC000999775100 680413087 /nfs/dbraw/zinc/41/30/87/680413087.db2.gz DYPNMINIUYNCQM-MGPQQGTHSA-N 1 0 367.291 2.013 20 30 FEEDRO C#CC[N@@H+](C)CCCNC(=O)NCc1ccc(OC(F)F)c(OC)c1 ZINC000836199429 680434660 /nfs/dbraw/zinc/43/46/60/680434660.db2.gz FNDQWYXRHWVKDF-UHFFFAOYSA-N 1 0 355.385 2.051 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000836488210 680476196 /nfs/dbraw/zinc/47/61/96/680476196.db2.gz IWXBRJDWNKAZCR-UHFFFAOYSA-N 1 0 359.314 2.468 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1CC[NH+](C[C@@H]2CCCOC2)CC1 ZINC001001931165 680482652 /nfs/dbraw/zinc/48/26/52/680482652.db2.gz LAYLGDZKQBSJAV-FHWLQOOXSA-N 1 0 350.503 2.222 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@]2(CC[N@@H+](Cc3cnc(C)s3)C2)C1 ZINC001041695895 680508651 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POVBORUYNWKWPB-FXAINCCUSA-N 1 0 364.730 2.493 20 30 FEEDRO Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000841219034 680869577 /nfs/dbraw/zinc/86/95/77/680869577.db2.gz DGLOQGYCWULCAJ-SCZZXKLOSA-N 1 0 350.835 2.035 20 30 FEEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)Nc1nnc(-c2ccc(Cl)cc2F)s1 ZINC000841224506 680869883 /nfs/dbraw/zinc/86/98/83/680869883.db2.gz LLFHZUVOIVFDII-WRWORJQWSA-N 1 0 366.809 2.231 20 30 FEEDRO Cc1nc(NC(=O)N[C@H]2C[NH2+]C[C@H]2C#N)sc1Cc1cccc(F)c1 ZINC000841259939 680871854 /nfs/dbraw/zinc/87/18/54/680871854.db2.gz ZGANSJZRGFWHSI-OCCSQVGLSA-N 1 0 359.430 2.415 20 30 FEEDRO CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@H]2C[NH2+]CCC2(F)F)c1 ZINC000841816287 680913820 /nfs/dbraw/zinc/91/38/20/680913820.db2.gz ACMGWSPAQFLYFU-HIFRSBDPSA-N 1 0 352.385 2.164 20 30 FEEDRO CCOCCC[NH+]=C(NC[C@@H](O)COc1ccccc1)NC(C)(C)C ZINC000912498739 685386948 /nfs/dbraw/zinc/38/69/48/685386948.db2.gz FRDNZWOYZHTHRP-MRXNPFEDSA-N 1 0 351.491 2.187 20 30 FEEDRO C[N@H+](CCC(=O)Nc1sccc1C#N)C[C@H](O)c1cccc(C#N)c1 ZINC000844365538 681054199 /nfs/dbraw/zinc/05/41/99/681054199.db2.gz CEARTBXMWZRGOD-INIZCTEOSA-N 1 0 354.435 2.485 20 30 FEEDRO C#CCNC(=O)CC[N@H+]1CCC[C@@H](C)[C@H]1CCNC(=O)OC(C)(C)C ZINC000844402645 681056987 /nfs/dbraw/zinc/05/69/87/681056987.db2.gz RPVQUPPEEWQMPU-HZPDHXFCSA-N 1 0 351.491 2.141 20 30 FEEDRO C[C@@H]1CC[N@H+](CC(=O)N[C@H]2CCN(c3nc(Cl)c(C#N)s3)[C@@H]2C)C1 ZINC001051014736 681060006 /nfs/dbraw/zinc/06/00/06/681060006.db2.gz CMKUMUMXZRQSAM-UTUOFQBUSA-N 1 0 367.906 2.093 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@H](C[NH2+]Cc2ccc(Cl)cc2)C1 ZINC001051834563 681069600 /nfs/dbraw/zinc/06/96/00/681069600.db2.gz QPEQEMLZCBPJJB-KURKYZTESA-N 1 0 364.873 2.248 20 30 FEEDRO Cc1nsc(NCC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@H]2C)c1C#N ZINC001053386142 681096804 /nfs/dbraw/zinc/09/68/04/681096804.db2.gz FUBUFSPAKOVRLZ-BPLDGKMQSA-N 1 0 361.515 2.171 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1CCC2(C[NH+](CC(C)C)C2)O1 ZINC001053675134 681103515 /nfs/dbraw/zinc/10/35/15/681103515.db2.gz GSYMCELXUWBWPU-SQNIBIBYSA-N 1 0 350.503 2.363 20 30 FEEDRO C[C@H]1CC(N=Nc2ccccc2S(N)(=O)=O)C[N@@H+]1Cc1ccccc1 ZINC000773120781 681126428 /nfs/dbraw/zinc/12/64/28/681126428.db2.gz JOIZBNMCHQURDU-AWEZNQCLSA-N 1 0 358.467 2.396 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)Cc2ccc(Br)cc2C#N)CC1 ZINC000845592219 681140152 /nfs/dbraw/zinc/14/01/52/681140152.db2.gz HYTCRSXUXDMKIF-UHFFFAOYSA-N 1 0 374.282 2.467 20 30 FEEDRO CCCCCCCCCS(=O)(=O)N1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000846230381 681205511 /nfs/dbraw/zinc/20/55/11/681205511.db2.gz QNDZLBUSKYHTAH-QGZVFWFLSA-N 1 0 371.551 2.454 20 30 FEEDRO C[C@H]([NH2+]CC(=O)Nc1cccc(S(C)(=O)=O)c1)c1cccc(C#N)c1 ZINC000775337395 681298801 /nfs/dbraw/zinc/29/88/01/681298801.db2.gz GZSHJMWGVOLXBH-ZDUSSCGKSA-N 1 0 357.435 2.251 20 30 FEEDRO C#CCC[NH+]1CCN(C[C@@H](O)c2ccc(F)c(Br)c2)CC1 ZINC000775642826 681321084 /nfs/dbraw/zinc/32/10/84/681321084.db2.gz PCZZUIVKGBDFAF-MRXNPFEDSA-N 1 0 355.251 2.263 20 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681416682 /nfs/dbraw/zinc/41/66/82/681416682.db2.gz CPJCQWJNHMBMHH-UHFFFAOYSA-N 1 0 353.463 2.019 20 30 FEEDRO C=CCNS(=O)(=O)c1cccc(C(=O)OC[C@@H](C)[NH+]2CCCCC2)c1 ZINC000847958812 681455638 /nfs/dbraw/zinc/45/56/38/681455638.db2.gz NOFCTSIEQYHNPK-OAHLLOKOSA-N 1 0 366.483 2.182 20 30 FEEDRO CC(=O)Nc1ccc(OC[C@@H](O)C[N@@H+](C)Cc2cc(C#N)cs2)cc1 ZINC000933775543 681467026 /nfs/dbraw/zinc/46/70/26/681467026.db2.gz JMZBOSSXMHLIPR-INIZCTEOSA-N 1 0 359.451 2.450 20 30 FEEDRO CC#CCS(=O)(=O)c1cccc(C(=O)N2CC[C@H]([NH+](CC)CC)C2)c1 ZINC000933794045 681467945 /nfs/dbraw/zinc/46/79/45/681467945.db2.gz JVAPCGJVPZAWOW-KRWDZBQOSA-N 1 0 362.495 2.040 20 30 FEEDRO C#CC[N@@H+](C)CCCNC(=O)[C@H](OC)c1ccccc1Br ZINC000848142878 681479661 /nfs/dbraw/zinc/47/96/61/681479661.db2.gz NOWHKOBUSOKNBU-OAHLLOKOSA-N 1 0 353.260 2.208 20 30 FEEDRO C#CC[N@H+]1CCC[C@@H]1COC(=O)C[C@H](NC(=O)OC(C)(C)C)C1CC1 ZINC000777310390 681481134 /nfs/dbraw/zinc/48/11/34/681481134.db2.gz KHEMVIGJKHBUFD-CVEARBPZSA-N 1 0 350.459 2.321 20 30 FEEDRO N#CCCCC[C@H]([NH3+])C(=O)Nc1ccc(CN2C(=O)CSC2=O)cc1 ZINC000848397910 681535078 /nfs/dbraw/zinc/53/50/78/681535078.db2.gz OTEZQUBWKUXCFD-AWEZNQCLSA-N 1 0 360.439 2.232 20 30 FEEDRO N#Cc1cc(Br)ccc1CN1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000934270374 681540611 /nfs/dbraw/zinc/54/06/11/681540611.db2.gz UXIZWXSJXLSBAR-SJORKVTESA-N 1 0 364.287 2.352 20 30 FEEDRO CC(C)(C#N)c1ccc(C[NH2+]C2CCN(CCS(C)(=O)=O)CC2)cc1 ZINC000848536996 681574229 /nfs/dbraw/zinc/57/42/29/681574229.db2.gz ZCSOIBNGNVXQDF-UHFFFAOYSA-N 1 0 363.527 2.086 20 30 FEEDRO N#Cc1ccc(OCCC[N@H+]2CC[C@H](C(=O)NCC(F)(F)F)C2)cc1 ZINC000778231619 681587397 /nfs/dbraw/zinc/58/73/97/681587397.db2.gz GBYXZCBVDYXELW-AWEZNQCLSA-N 1 0 355.360 2.328 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N(CC)C1C[NH+](CCC[C@@H]2CCOC2)C1 ZINC000950352988 681684087 /nfs/dbraw/zinc/68/40/87/681684087.db2.gz AIUZKDWMRZNKHQ-QRQLOZEOSA-N 1 0 350.503 2.317 20 30 FEEDRO C=CCSCCNC(=O)[C@H]1CC[N@@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849510938 681755860 /nfs/dbraw/zinc/75/58/60/681755860.db2.gz MUKKFHKFBOOYSV-DLBZAZTESA-N 1 0 350.532 2.269 20 30 FEEDRO C=CC1(CC(=O)N[C@@H]2CCC[C@H]2[NH+](C)C)CN(C(=O)OC(C)(C)C)C1 ZINC000935483468 681760497 /nfs/dbraw/zinc/76/04/97/681760497.db2.gz ZLZRCRNPLNDSKI-HUUCEWRRSA-N 1 0 351.491 2.399 20 30 FEEDRO C[C@@H]1CCC[N@@H+]1CCNS(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000780868262 681880271 /nfs/dbraw/zinc/88/02/71/681880271.db2.gz WAYRYZDNNBMRMT-LLVKDONJSA-N 1 0 372.288 2.083 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)NC1CC(C[NH2+]Cc2nn(C)cc2Cl)C1 ZINC000961852128 682102643 /nfs/dbraw/zinc/10/26/43/682102643.db2.gz DGBPLCQNUDSCJO-GROLMSMHSA-N 1 0 366.893 2.039 20 30 FEEDRO N#Cc1ccc(C[NH2+]CC2CC(NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)s1 ZINC000962097093 682109211 /nfs/dbraw/zinc/10/92/11/682109211.db2.gz MIUUDRRCSVMFPO-SLJIGYOZSA-N 1 0 357.479 2.028 20 30 FEEDRO C[NH+](C)CCOc1ccc(C=NN2C(=S)N=NC2[C@@H]2CCCO2)cc1 ZINC000915955013 685519902 /nfs/dbraw/zinc/51/99/02/685519902.db2.gz SZHFKVZATNJWKZ-HNNXBMFYSA-N 1 0 361.471 2.241 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH+]1CCC2(COC(=O)N2)CC1 ZINC000784458663 682228507 /nfs/dbraw/zinc/22/85/07/682228507.db2.gz DIRJTJOMIMHQRF-AWEZNQCLSA-N 1 0 363.483 2.226 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](CCCC2CCOCC2)C1 ZINC000970448168 682298969 /nfs/dbraw/zinc/29/89/69/682298969.db2.gz XNDZFOLPZZLZSD-IPELMVKDSA-N 1 0 350.503 2.221 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C)CC1 ZINC000786181608 682357335 /nfs/dbraw/zinc/35/73/35/682357335.db2.gz IBEIHIUIJAHPRD-HOCLYGCPSA-N 1 0 351.491 2.399 20 30 FEEDRO C=C(Cl)C(C)(C)C(=O)N1C[C@H]2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)C[C@H]21 ZINC000972340447 682408114 /nfs/dbraw/zinc/40/81/14/682408114.db2.gz VVJNJYLOPHSUAB-BZUAXINKSA-N 1 0 367.921 2.166 20 30 FEEDRO N#Cc1ncc(Br)cc1N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000853720468 682460672 /nfs/dbraw/zinc/46/06/72/682460672.db2.gz ZGVILTZTHGBZAK-CQSZACIVSA-N 1 0 365.275 2.407 20 30 FEEDRO C=CCS(=O)(=O)CC[NH2+][C@H]1CCCCC[C@H]1NC(=O)OC(C)(C)C ZINC000788256959 682515409 /nfs/dbraw/zinc/51/54/09/682515409.db2.gz LBYPAAYLOTYMEH-LSDHHAIUSA-N 1 0 360.520 2.403 20 30 FEEDRO COC(=O)CC[NH+]1CCC(=NNC(=S)N[C@@H]2CCCC[C@@H]2C)CC1 ZINC000788701222 682551814 /nfs/dbraw/zinc/55/18/14/682551814.db2.gz YNZPCVDVNRLDHB-DZGCQCFKSA-N 1 0 354.520 2.044 20 30 FEEDRO C[NH+]1CCC(C#N)(NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CC1 ZINC000790542730 682684677 /nfs/dbraw/zinc/68/46/77/682684677.db2.gz OGFRCPYYNVDODH-UHFFFAOYSA-N 1 0 354.769 2.034 20 30 FEEDRO C=C(C[NH+](C)C)C(=O)N1CCN(c2ccc(Br)cc2)CC1 ZINC000855636215 682695879 /nfs/dbraw/zinc/69/58/79/682695879.db2.gz OLLFUSFASGGCJX-UHFFFAOYSA-N 1 0 352.276 2.216 20 30 FEEDRO C#CCN(CC(=O)NCCC[NH2+]C1CCCCC1)C(=O)OC(C)(C)C ZINC000857128945 682856195 /nfs/dbraw/zinc/85/61/95/682856195.db2.gz CMNPCMGAFXHHEH-UHFFFAOYSA-N 1 0 351.491 2.285 20 30 FEEDRO N#Cc1cccc([C@H](NC(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)C(F)(F)F)c1 ZINC000926189214 683091038 /nfs/dbraw/zinc/09/10/38/683091038.db2.gz MHSMFPPRFTWLTP-ZNMIVQPWSA-N 1 0 352.360 2.413 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)c2cc(Br)cnc2F)CC1 ZINC000859525385 683123452 /nfs/dbraw/zinc/12/34/52/683123452.db2.gz UXEFJBOFJKFUHN-UHFFFAOYSA-N 1 0 354.223 2.201 20 30 FEEDRO N#CCCNC(=O)C[NH2+][C@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 ZINC000796600591 683175827 /nfs/dbraw/zinc/17/58/27/683175827.db2.gz OBIQUHMAQAUMDC-INIZCTEOSA-N 1 0 355.360 2.026 20 30 FEEDRO C#CC[C@@H](COC)NC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000860543809 683258596 /nfs/dbraw/zinc/25/85/96/683258596.db2.gz DGHNPQGWAUBPDN-SFHVURJKSA-N 1 0 361.511 2.438 20 30 FEEDRO C=CC[C@@H](CC)[NH2+][C@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000798938261 683406483 /nfs/dbraw/zinc/40/64/83/683406483.db2.gz ZWZRBQCWLPPOMO-UKRRQHHQSA-N 1 0 374.528 2.418 20 30 FEEDRO COC(=O)c1cnc(Cl)c(NC(=O)N(CCC#N)CCC[NH+](C)C)c1 ZINC000861535271 683430714 /nfs/dbraw/zinc/43/07/14/683430714.db2.gz CCBKDOXEHSMFMI-UHFFFAOYSA-N 1 0 367.837 2.221 20 30 FEEDRO CCCCCCCNC(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000861786264 683473834 /nfs/dbraw/zinc/47/38/34/683473834.db2.gz UWLLGIVQYUNVEE-CHWSQXEVSA-N 1 0 351.413 2.059 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)c2cccn3cc(C(F)(F)F)nc23)CC1 ZINC000928648664 683480646 /nfs/dbraw/zinc/48/06/46/683480646.db2.gz POIMGSYVYAIHJW-UHFFFAOYSA-N 1 0 350.344 2.181 20 30 FEEDRO CCN(C[C@@H](C)C#N)S(=O)(=O)NC[C@@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000800007795 683519401 /nfs/dbraw/zinc/51/94/01/683519401.db2.gz PMQSPFYXYNPFBN-IRXDYDNUSA-N 1 0 358.552 2.059 20 30 FEEDRO CC1([NH+]2CCC2)CCC(NS(=O)(=O)c2cc(F)cc(C#N)c2)CC1 ZINC000921715096 683554764 /nfs/dbraw/zinc/55/47/64/683554764.db2.gz BPDRPFISRMKQFE-UHFFFAOYSA-N 1 0 351.447 2.383 20 30 FEEDRO C#CCN(C(=O)NCCCCC(=O)OC(C)(C)C)C1CC[NH+](C)CC1 ZINC000921790108 683574966 /nfs/dbraw/zinc/57/49/66/683574966.db2.gz VYLYXHUUOSJUBK-UHFFFAOYSA-N 1 0 351.491 2.237 20 30 FEEDRO C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cc(C)cc2cccnc21 ZINC000922024201 683639742 /nfs/dbraw/zinc/63/97/42/683639742.db2.gz NGSDNVGHIPLIDY-UHFFFAOYSA-N 1 0 357.479 2.261 20 30 FEEDRO C#CCN(C1CCN(C)CC1)S(=O)(=O)c1cc(C(C)=O)ccc1Cl ZINC000922025320 683639865 /nfs/dbraw/zinc/63/98/65/683639865.db2.gz XSRQVZBAMXNDQT-UHFFFAOYSA-N 1 0 368.886 2.261 20 30 FEEDRO CCCNC(=O)c1ccc(NC(=O)NCC#CC[NH+](C)C)cc1Cl ZINC000929912507 683655065 /nfs/dbraw/zinc/65/50/65/683655065.db2.gz HUHMBVPARQLEFQ-UHFFFAOYSA-N 1 0 350.850 2.166 20 30 FEEDRO C=C(C[NH+](C)C)C(=O)N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O ZINC000862962654 683656426 /nfs/dbraw/zinc/65/64/26/683656426.db2.gz YLGXYEOSZSINOZ-CQSZACIVSA-N 1 0 355.360 2.045 20 30 FEEDRO N#Cc1ccc(CNC(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)cc1Cl ZINC000922372871 683709300 /nfs/dbraw/zinc/70/93/00/683709300.db2.gz ACJHHAXTPQDFFF-MRXNPFEDSA-N 1 0 362.861 2.264 20 30 FEEDRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=S)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000865242680 683954867 /nfs/dbraw/zinc/95/48/67/683954867.db2.gz CHWDUQQANZTXIL-ZDUSSCGKSA-N 1 0 352.891 2.343 20 30 FEEDRO C[NH+](C)CC(C)(C)CNC(=S)N1CCN(c2ccc(C#N)cc2)CC1 ZINC000865267721 683959584 /nfs/dbraw/zinc/95/95/84/683959584.db2.gz SXRSTWCLJSURBD-UHFFFAOYSA-N 1 0 359.543 2.143 20 30 FEEDRO CC(C)(C)OC(=O)N[C@@H](C[NH2+]C1CCN(CC#N)CC1)CC(F)(F)F ZINC000865456613 683985254 /nfs/dbraw/zinc/98/52/54/683985254.db2.gz MKQXWEZUEPEKGP-CYBMUJFWSA-N 1 0 364.412 2.410 20 30 FEEDRO C[N@@H+]1CCC[C@H](N2CCN(c3cc(C(F)(F)F)cc(C#N)n3)CC2)C1 ZINC000865542458 683995532 /nfs/dbraw/zinc/99/55/32/683995532.db2.gz QDGWTFZLFHEUMX-HNNXBMFYSA-N 1 0 353.392 2.188 20 30 FEEDRO N#Cc1cc(F)cc(S(=O)(=O)N2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000866766336 684148146 /nfs/dbraw/zinc/14/81/46/684148146.db2.gz OUXCYHHAVXUUNG-GJZGRUSLSA-N 1 0 351.447 2.098 20 30 FEEDRO C=CCCSCCNC(=O)N[C@@H]1C[C@]2(C[N@@H+](CC)[C@@H]2C(C)C)C[C@H]1O ZINC000923226573 684245022 /nfs/dbraw/zinc/24/50/22/684245022.db2.gz CCALGIDRYDPJKX-YWTNHNAXSA-N 1 0 369.575 2.465 20 30 FEEDRO C[NH+](C)CC#CCNC(=O)Nc1ccc2nccnc2c1Br ZINC000931390416 684274502 /nfs/dbraw/zinc/27/45/02/684274502.db2.gz VOFDCEVOUBJSQT-UHFFFAOYSA-N 1 0 362.231 2.079 20 30 FEEDRO CC1([NH+]2CCCC2)CCN(S(=O)(=O)c2cccc(F)c2C#N)CC1 ZINC000867601663 684326717 /nfs/dbraw/zinc/32/67/17/684326717.db2.gz WUCVCLNDNRCFAS-UHFFFAOYSA-N 1 0 351.447 2.336 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)Nc2cc3sc(=O)n(C)c3cc2C)CC1 ZINC000931905185 684367620 /nfs/dbraw/zinc/36/76/20/684367620.db2.gz HWOKETWPZLNYQX-UHFFFAOYSA-N 1 0 358.467 2.128 20 30 FEEDRO COC(=O)[C@]12C[C@H](NC(=O)OC(C)(C)C)C[C@H]1C[N@H+](CCCC#N)C2 ZINC000931953263 684373909 /nfs/dbraw/zinc/37/39/09/684373909.db2.gz XJNOUNGSJICLTK-IYOUNJFTSA-N 1 0 351.447 2.068 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)Nc1nnc(C(F)(F)C(F)(F)F)s1 ZINC000932089115 684405280 /nfs/dbraw/zinc/40/52/80/684405280.db2.gz ASUSGXQHVOBXCY-UHFFFAOYSA-N 1 0 371.335 2.269 20 30 FEEDRO N#C[C@@]1(C(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)CCCOC1 ZINC000867941353 684429958 /nfs/dbraw/zinc/42/99/58/684429958.db2.gz VEPSNJMIPSZILM-XUJLQICISA-N 1 0 359.392 2.228 20 30 FEEDRO CN(CCc1cccc(C#N)c1)C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000925167221 684534227 /nfs/dbraw/zinc/53/42/27/684534227.db2.gz AYEKMUJXWQGAGI-QZTJIDSGSA-N 1 0 358.511 2.322 20 30 FEEDRO C=CC[C@H](CO)C[NH2+][C@@H]1[C@@H]2COC[C@H]1C[C@H](NC(=O)OC(C)(C)C)C2 ZINC000925696215 684579328 /nfs/dbraw/zinc/57/93/28/684579328.db2.gz JQXUXZJHNIXJJE-FIDHJVLJSA-N 1 0 354.491 2.079 20 30 FEEDRO NC(=[NH+]OC1CC(CF)(CF)C1)c1ccc(N2CCC(O)CC2)cc1 ZINC000871734724 684849897 /nfs/dbraw/zinc/84/98/97/684849897.db2.gz ILCRNYXMTCEVTF-UHFFFAOYSA-N 1 0 353.413 2.372 20 30 FEEDRO CSC1([C@@H](C#N)N(C)S(=O)(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000872009328 684913996 /nfs/dbraw/zinc/91/39/96/684913996.db2.gz KRKAPENEYKVZGS-OAHLLOKOSA-N 1 0 353.513 2.156 20 30 FEEDRO CC(C)(C)OC1CCC([NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)CC1 ZINC000872218924 684928398 /nfs/dbraw/zinc/92/83/98/684928398.db2.gz PAPMSDZKJDBYPH-UHFFFAOYSA-N 1 0 365.499 2.443 20 30 FEEDRO N#Cc1ccc([C@H](O)C[NH2+][C@H]2C[C@H](S(=O)(=O)c3ccccc3)C2)cc1 ZINC000872230071 684929610 /nfs/dbraw/zinc/92/96/10/684929610.db2.gz VRAJIIUCOZBTCW-BHIYHBOVSA-N 1 0 356.447 2.186 20 30 FEEDRO Cc1c(Br)c(C)n(N=CC2CC[NH+](C)CC2)c(=O)c1C#N ZINC000872372348 684941703 /nfs/dbraw/zinc/94/17/03/684941703.db2.gz WHIHLUKNZXLBGV-UHFFFAOYSA-N 1 0 351.248 2.275 20 30 FEEDRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000872664418 685000799 /nfs/dbraw/zinc/00/07/99/685000799.db2.gz ROUCPEAGACJGDU-GJZGRUSLSA-N 1 0 373.400 2.434 20 30 FEEDRO C=CCc1cc(OCC)cc(C[N@@H+]2CC[C@H]3CS(=O)(=O)C[C@@H]3C2)c1O ZINC000872793705 685016504 /nfs/dbraw/zinc/01/65/04/685016504.db2.gz CKRVTWOOHZPHSY-RDJZCZTQSA-N 1 0 365.495 2.386 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)Nc1ccc(C)c(S(=O)(=O)N(CC)CC)c1 ZINC000876549846 686218170 /nfs/dbraw/zinc/21/81/70/686218170.db2.gz WTNYZPMLFSMOON-AWEZNQCLSA-N 1 0 373.906 2.434 20 30 FEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H](O)COc1cccc(C(F)(F)F)c1 ZINC000876619680 686229859 /nfs/dbraw/zinc/22/98/59/686229859.db2.gz BNCGGJQYWRZKLH-WCQYABFASA-N 1 0 366.767 2.031 20 30 FEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N(C)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000876657889 686238365 /nfs/dbraw/zinc/23/83/65/686238365.db2.gz VRQVUXAIGBOZKX-OCCSQVGLSA-N 1 0 356.253 2.374 20 30 FEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC[C@@H]1C(=O)Nc1cc(C)ccc1OC ZINC000876669208 686240134 /nfs/dbraw/zinc/24/01/34/686240134.db2.gz DQBRMYYKZQXWKL-UKRRQHHQSA-N 1 0 365.861 2.403 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)Nc1nc(CN2C[C@@H](C)O[C@@H](C)C2)cs1 ZINC000876716970 686252323 /nfs/dbraw/zinc/25/23/23/686252323.db2.gz RTUUHYGDZRPJGL-LOWVWBTDSA-N 1 0 358.895 2.161 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NCc1ccc(COC2CCOCC2)cc1 ZINC000876894852 686289896 /nfs/dbraw/zinc/28/98/96/686289896.db2.gz XVOQSJYQHKHPAQ-KRWDZBQOSA-N 1 0 352.862 2.468 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N1CCc2c(ncn2CCc2ccccc2)C1 ZINC000876903122 686291866 /nfs/dbraw/zinc/29/18/66/686291866.db2.gz LBTOKYAVPWNTDJ-INIZCTEOSA-N 1 0 358.873 2.480 20 30 FEEDRO N#Cc1cnc(Cl)c(CNC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c1 ZINC000876926713 686296159 /nfs/dbraw/zinc/29/61/59/686296159.db2.gz DNEZDGBCOMEOKQ-GOSISDBHSA-N 1 0 356.857 2.115 20 30 FEEDRO N#CCOc1ccc(C[N@H+](CCN2CCOCC2)[C@H]2CCSC2)cc1 ZINC000878873385 686680124 /nfs/dbraw/zinc/68/01/24/686680124.db2.gz UDZLREPLARVRAG-SFHVURJKSA-N 1 0 361.511 2.229 20 30 FEEDRO CN1CC[NH+](C2CCN(C(=O)Nc3ccc(C#N)cc3Cl)CC2)CC1 ZINC000878967317 686703274 /nfs/dbraw/zinc/70/32/74/686703274.db2.gz QXYVJIWOELKMCI-UHFFFAOYSA-N 1 0 361.877 2.455 20 30 FEEDRO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879576986 686861235 /nfs/dbraw/zinc/86/12/35/686861235.db2.gz ZFHWMNLAXOVHKF-XJKCOSOUSA-N 1 0 358.511 2.461 20 30 FEEDRO CN=[S@@](C)(=O)c1cccc(NC(=O)N(CCC#N)CCC[NH+](C)C)c1 ZINC000879838332 686922630 /nfs/dbraw/zinc/92/26/30/686922630.db2.gz QCNDDIMUXTXTRX-VWLOTQADSA-N 1 0 365.503 2.472 20 30 FEEDRO N#C[C@@H](c1cccs1)N1CCN(C(=O)C[N@H+]2CCC[C@@H](CF)C2)CC1 ZINC000880237358 687021240 /nfs/dbraw/zinc/02/12/40/687021240.db2.gz VPJKDOLWCFSNIP-HOTGVXAUSA-N 1 0 364.490 2.138 20 30 FEEDRO CO[C@@H]1COCC[C@@H]1[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000880429617 687047697 /nfs/dbraw/zinc/04/76/97/687047697.db2.gz IAQRVGNUNLDQBC-LSDHHAIUSA-N 1 0 363.483 2.173 20 30 FEEDRO CN(C)CC[N@H+](C)CCCN(C)C(=O)Nc1cc(C#N)c(F)cc1F ZINC000880712244 687077579 /nfs/dbraw/zinc/07/75/79/687077579.db2.gz HLEFLVGWWRLKCN-UHFFFAOYSA-N 1 0 353.417 2.184 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)Nc2cc(C)cc(S(C)(=O)=O)c2)CC1 ZINC000880846213 687091484 /nfs/dbraw/zinc/09/14/84/687091484.db2.gz AEEGSDOBNUSMQA-UHFFFAOYSA-N 1 0 351.472 2.170 20 30 FEEDRO C[C@H](C#N)OCCn1cc([C@H]([NH3+])c2ccc(Br)cc2)nn1 ZINC000881323528 687124161 /nfs/dbraw/zinc/12/41/61/687124161.db2.gz KMIJLHQETNTXDP-QMTHXVAHSA-N 1 0 350.220 2.017 20 30 FEEDRO CC(C)[NH2+]C1(CO)CCN(c2ncc(C#N)cc2Br)CC1 ZINC000882413058 687363037 /nfs/dbraw/zinc/36/30/37/687363037.db2.gz FSGNRPQPOLYLDA-UHFFFAOYSA-N 1 0 353.264 2.045 20 30 FEEDRO Cc1cccc(S(=O)(=O)N2CCN(c3cc[nH+]cc3)[C@@H](C)C2)c1C#N ZINC000882620344 687411654 /nfs/dbraw/zinc/41/16/54/687411654.db2.gz FUVGUDIFGCKBGU-HNNXBMFYSA-N 1 0 356.451 2.161 20 30 FEEDRO N#Cc1nc(NC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)ccc1Br ZINC000883084741 687559329 /nfs/dbraw/zinc/55/93/29/687559329.db2.gz ANWXLDXYBYJZHJ-LLVKDONJSA-N 1 0 364.247 2.418 20 30 FEEDRO N#C[C@@H]1C[NH2+]CC12CC(C(=O)NCc1sccc1Br)C2 ZINC000884112624 687792718 /nfs/dbraw/zinc/79/27/18/687792718.db2.gz ROBLIADUWBLVKS-OPASDULOSA-N 1 0 354.273 2.266 20 30 FEEDRO N#C[C@H]1C[NH2+]CC12CC(C(=O)NC[C@@H](O)c1c(Cl)cccc1Cl)C2 ZINC000884151063 687802259 /nfs/dbraw/zinc/80/22/59/687802259.db2.gz COCDRCNBSHNZIG-RGBKTGAOSA-N 1 0 368.264 2.282 20 30 FEEDRO C#CCN1CCC[C@@H]([NH2+]Cc2cccc(Cl)c2S(=O)(=O)CC)C1 ZINC000886211603 688214391 /nfs/dbraw/zinc/21/43/91/688214391.db2.gz SXBVAAPEZJAOLM-OAHLLOKOSA-N 1 0 354.903 2.321 20 30 FEEDRO C#CCN(C(=O)[C@H](O)c1ccc(C(F)(F)F)cc1)C1CC[NH+](C)CC1 ZINC000886572322 688278403 /nfs/dbraw/zinc/27/84/03/688278403.db2.gz IBOFOTOCZBZIDI-MRXNPFEDSA-N 1 0 354.372 2.295 20 30 FEEDRO CC[NH+](CC)[C@@H](CNC(=O)N1CCO[C@](C)(C#N)C1)c1ccsc1 ZINC000891875937 689120928 /nfs/dbraw/zinc/12/09/28/689120928.db2.gz DDVLXCXPCCLOLI-DOTOQJQBSA-N 1 0 350.488 2.455 20 30 FEEDRO CC(=O)Nc1cc(Br)ccc1C[NH2+]C1CCN(CC#N)CC1 ZINC000892911608 689263707 /nfs/dbraw/zinc/26/37/07/689263707.db2.gz ZGIGWWBAUQRGRY-UHFFFAOYSA-N 1 0 365.275 2.485 20 30 FEEDRO O=S(=O)(N1CCC(C[NH2+]CC#Cc2ccccc2)CC1)C(F)(F)F ZINC000892947331 689269406 /nfs/dbraw/zinc/26/94/06/689269406.db2.gz DDKGSJNUTHCBDC-UHFFFAOYSA-N 1 0 360.401 2.189 20 30 FEEDRO C[N@@H+]1CCC[C@H](CNC(=O)N2CCO[C@@](C)(C#N)C2)[C@H]1c1cccs1 ZINC000893201063 689312878 /nfs/dbraw/zinc/31/28/78/689312878.db2.gz VOQHNPXLTITIGW-HFTRVMKXSA-N 1 0 362.499 2.455 20 30 FEEDRO C=CCCCN(CC)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000894788782 689596867 /nfs/dbraw/zinc/59/68/67/689596867.db2.gz ZDQUTFXLKFJCNL-ALOPSCKCSA-N 1 0 350.507 2.068 20 30 FEEDRO C=CCOc1c(Br)cc(C[NH2+]C[C@@H]2COCO2)cc1OC ZINC000894868496 689611263 /nfs/dbraw/zinc/61/12/63/689611263.db2.gz GFLVCHGAPBTKMB-GFCCVEGCSA-N 1 0 358.232 2.485 20 30 FEEDRO C=CCn1cc(C[NH2+][C@@H]2CC[C@H](C(=O)OCC)[C@H](C(F)(F)F)C2)nn1 ZINC000895005775 689638971 /nfs/dbraw/zinc/63/89/71/689638971.db2.gz HSJDOFNEEDWEJX-KWCYVHTRSA-N 1 0 360.380 2.464 20 30 FEEDRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@H]1CCCN(O)C1=O ZINC000895163691 689669958 /nfs/dbraw/zinc/66/99/58/689669958.db2.gz XOPGWTGJBHFACV-MFKMUULPSA-N 1 0 370.247 2.136 20 30 FEEDRO Cc1c(I)cn(C[C@@H]2CCCC[NH2+]C2)c(=O)c1C#N ZINC000899629403 690393375 /nfs/dbraw/zinc/39/33/75/690393375.db2.gz DYDBALCXCOSGIO-LLVKDONJSA-N 1 0 371.222 2.023 20 30 FEEDRO C=C(Cl)C[C@@H]1NC(=O)N(C[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)C1=O ZINC000900184383 690480935 /nfs/dbraw/zinc/48/09/35/690480935.db2.gz BIMSEXDAZSLIST-HOTGVXAUSA-N 1 0 364.877 2.418 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)N[C@H]1CCN(c2ccccc2OC(F)F)C1 ZINC000900741169 690556113 /nfs/dbraw/zinc/55/61/13/690556113.db2.gz JMJYQLAECYWMGG-AWEZNQCLSA-N 1 0 353.413 2.491 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)NC[C@@H](CO)Cc1ccc(C(F)(F)F)cc1 ZINC000901136673 690617313 /nfs/dbraw/zinc/61/73/13/690617313.db2.gz ZQQFXMGHLUDVHU-HNNXBMFYSA-N 1 0 358.404 2.481 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1CN(C)CCO1 ZINC000901271343 690631660 /nfs/dbraw/zinc/63/16/60/690631660.db2.gz TXVZGOHXUUGKEM-MSOLQXFVSA-N 1 0 365.905 2.336 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)Nc2nc(CN3CCCCC3)cs2)CC1 ZINC000902938363 690822473 /nfs/dbraw/zinc/82/24/73/690822473.db2.gz BNYDFOMTQQNMJS-UHFFFAOYSA-N 1 0 361.515 2.348 20 30 FEEDRO C[C@@H]([NH2+]C1CCN(S(=O)(=O)C(C)(C)C)CC1)c1cc(C#N)ccn1 ZINC000902969968 690825026 /nfs/dbraw/zinc/82/50/26/690825026.db2.gz HHMJAEYPDHGFTH-CYBMUJFWSA-N 1 0 350.488 2.197 20 30 FEEDRO CN(C1CCC([NH3+])CC1)S(=O)(=O)c1ccc(Br)c(C#N)c1 ZINC000903487149 690899295 /nfs/dbraw/zinc/89/92/95/690899295.db2.gz RCNHIKAWNVWHNZ-UHFFFAOYSA-N 1 0 372.288 2.211 20 30 FEEDRO N#Cc1cc(S(=O)(=O)N2CCCCC[C@H]([NH3+])C2)ccc1Br ZINC000903514667 690906550 /nfs/dbraw/zinc/90/65/50/690906550.db2.gz KTCARQZKFVFBKM-LBPRGKRZSA-N 1 0 372.288 2.213 20 30 FEEDRO Cc1cc(C#N)cc(C)c1CS(=O)(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000903522223 690910147 /nfs/dbraw/zinc/91/01/47/690910147.db2.gz QAGDITLTJAQHOP-ZWKOTPCHSA-N 1 0 361.511 2.326 20 30 FEEDRO Cc1cc(C#N)cc(C)c1CS(=O)(=O)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000903522252 690910155 /nfs/dbraw/zinc/91/01/55/690910155.db2.gz QTXKLEREBQOFRE-MJGOQNOKSA-N 1 0 361.511 2.469 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2CCC[C@@H]3CC[C@@]32C[NH3+])cc1C(F)(F)F ZINC000903536806 690915585 /nfs/dbraw/zinc/91/55/85/690915585.db2.gz JBHJJCOPLKTOBQ-IUODEOHRSA-N 1 0 373.400 2.469 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)NC[C@H](CO)Cc1ccccc1Br ZINC000907739772 691551011 /nfs/dbraw/zinc/55/10/11/691551011.db2.gz WBTWRRLZDNSPSY-CQSZACIVSA-N 1 0 369.303 2.224 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)NC1(c2cccc(OC)c2F)CCOCC1 ZINC000907796198 691561825 /nfs/dbraw/zinc/56/18/25/691561825.db2.gz BXIIFRSDCUABBG-UHFFFAOYSA-N 1 0 350.434 2.464 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)NCc1cc(Cl)ccc1N1CCOCC1 ZINC000907958395 691590105 /nfs/dbraw/zinc/59/01/05/691590105.db2.gz BNLQUQUVVVVQJQ-UHFFFAOYSA-N 1 0 351.878 2.301 20 30 FEEDRO CCC[N@@H+]1CCC[C@H](C(=O)N2CCN(c3snc(C)c3C#N)CC2)C1 ZINC000908285523 691652067 /nfs/dbraw/zinc/65/20/67/691652067.db2.gz SVGNWTVFKWLOPU-HNNXBMFYSA-N 1 0 361.515 2.094 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)N[C@H](CO)c1ccc(Br)c(F)c1 ZINC000908360354 691666850 /nfs/dbraw/zinc/66/68/50/691666850.db2.gz BWCYFOSNOUWJEP-CQSZACIVSA-N 1 0 359.239 2.246 20 30 FEEDRO C=CCn1c(-c2cnsn2)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000908712776 691717012 /nfs/dbraw/zinc/71/70/12/691717012.db2.gz NUSQFLOXURYGSI-CQSZACIVSA-N 1 0 359.503 2.295 20 30 FEEDRO CCOC(=O)c1cc(C#N)c(Cl)nc1C(F)(F)N1CC[C@H]2[NH2+]CC[C@H]21 ZINC001164412227 718875027 /nfs/dbraw/zinc/87/50/27/718875027.db2.gz UMXJYNHBSUNWGV-VXGBXAGGSA-N 1 0 370.787 2.269 20 30 FEEDRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncnc3[nH]cc(C#N)c31)C2 ZINC001164806443 720068753 /nfs/dbraw/zinc/06/87/53/720068753.db2.gz CWKBRTPNZSWADL-OXQOHEQNSA-N 1 0 366.469 2.014 20 30 FEEDRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2ncc(F)cc2C#N)CC1 ZINC001164821593 720302048 /nfs/dbraw/zinc/30/20/48/720302048.db2.gz KYGCHWGEUYGPHA-MSOLQXFVSA-N 1 0 371.460 2.004 20 30 FEEDRO N#Cc1ccc([N+](=O)[O-])c(N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)n1 ZINC001164725989 720380945 /nfs/dbraw/zinc/38/09/45/720380945.db2.gz OIQILEPZNHGSLZ-HOTGVXAUSA-N 1 0 350.382 2.110 20 30 FEEDRO N#Cc1cc2nc(N3CCc4ncc(C[NH+]5CCCC5)n4CC3)ccc2[nH]1 ZINC001164736504 720578494 /nfs/dbraw/zinc/57/84/94/720578494.db2.gz MIVXNYLVIZJXDW-UHFFFAOYSA-N 1 0 361.453 2.290 20 30 FEEDRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ccc5c(C#N)c[nH]c5n4)C[C@H]3C2)cn1 ZINC001164773298 721148851 /nfs/dbraw/zinc/14/88/51/721148851.db2.gz YBPNVZWBYRZPEN-DOTOQJQBSA-N 1 0 361.453 2.126 20 30 FEEDRO Cc1nc(N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)ccc1CC#N ZINC001164769271 721209585 /nfs/dbraw/zinc/20/95/85/721209585.db2.gz LWTLEDPGGRLTCL-RBUKOAKNSA-N 1 0 350.470 2.148 20 30 FEEDRO Cc1nc(N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@H]3C2)ccc1CC#N ZINC001164769269 721210620 /nfs/dbraw/zinc/21/06/20/721210620.db2.gz LWTLEDPGGRLTCL-OALUTQOASA-N 1 0 350.470 2.148 20 30 FEEDRO CCOC(=O)c1cc(C)nc(N2CC3(C2)CC[N@H+](CC2CC2)C3)c1C#N ZINC001164771947 721284040 /nfs/dbraw/zinc/28/40/40/721284040.db2.gz AQIMBLKWHHANJE-UHFFFAOYSA-N 1 0 354.454 2.361 20 30 FEEDRO Cc1cc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)nc(C#N)n1 ZINC001164903348 721538710 /nfs/dbraw/zinc/53/87/10/721538710.db2.gz CDFBZGAKXSZZTQ-WBVHZDCISA-N 1 0 353.401 2.138 20 30 FEEDRO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2c1nc(-c2ccncc2)ccc1C#N ZINC001164929182 721876975 /nfs/dbraw/zinc/87/69/75/721876975.db2.gz AHWQXKWMMDPICI-WOJBJXKFSA-N 1 0 362.481 2.230 20 30 FEEDRO C[NH+](C)CCOCc1ncn2c1CN(c1nccc(Cl)c1C#N)CCC2 ZINC001165000525 722251882 /nfs/dbraw/zinc/25/18/82/722251882.db2.gz RBDFKNMDVLMPIT-UHFFFAOYSA-N 1 0 374.876 2.292 20 30 FEEDRO Cc1cc(C(=O)Nc2ccn(CC[NH+](C)C)n2)nn1-c1cccc(C#N)c1 ZINC000502999825 814351501 /nfs/dbraw/zinc/35/15/01/814351501.db2.gz NDBNVJAXBMDYDE-UHFFFAOYSA-N 1 0 363.425 2.063 20 30 FEEDRO N#Cc1ccc(-n2ccc(NC(=O)N3C[C@@H]4CC[C@@H]([NH3+])[C@@H]4C3)n2)c(F)c1 ZINC000517713915 817553316 /nfs/dbraw/zinc/55/33/16/817553316.db2.gz DZYSDPRIYLMZOW-GZBFAFLISA-N 1 0 354.389 2.084 20 30 FEEDRO N#Cc1cnn(-c2ccc(C(=O)Nc3ccn(-c4cc[nH+]cc4)n3)cc2)c1N ZINC000505833233 887749457 /nfs/dbraw/zinc/74/94/57/887749457.db2.gz PASARDWZIMSCOO-UHFFFAOYSA-N 1 0 370.376 2.159 20 30 FEEDRO CCN(CCC[NH+](C)C)C(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C ZINC000470498919 888487282 /nfs/dbraw/zinc/48/72/82/888487282.db2.gz AIPPPYOUJWTUQC-UHFFFAOYSA-N 1 0 355.446 2.253 20 30 FEEDRO C#CCOc1cccc(Cl)c1C[NH2+][C@@H]1CCC[C@H]1CNS(C)(=O)=O ZINC000800310330 674040780 /nfs/dbraw/zinc/04/07/80/674040780.db2.gz WWTJIITUGMNTBW-XJKSGUPXSA-N 1 0 370.902 2.160 20 30 FEEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1S[C@H](C)C(=O)NC1CC1 ZINC000008251216 539481776 /nfs/dbraw/zinc/48/17/76/539481776.db2.gz YCWICRFFECHTAN-CQSZACIVSA-N 1 0 363.531 2.252 20 30 FEEDRO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N1CC[NH+](CCc2ccccc2)CC1 ZINC000022747553 539698134 /nfs/dbraw/zinc/69/81/34/539698134.db2.gz ITJZECVRQPFHKX-RXVVDRJESA-N 1 0 356.514 2.290 20 30 FEEDRO Cc1cccc(N2CC[NH+](C[C@@H](O)COc3ccc(C#N)cc3)CC2)c1 ZINC000027386110 539806314 /nfs/dbraw/zinc/80/63/14/539806314.db2.gz FCIBJRHSISUVGN-HXUWFJFHSA-N 1 0 351.450 2.429 20 30 FEEDRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)COc2ccc(C#N)cc2Cl)C1 ZINC000028141955 539826996 /nfs/dbraw/zinc/82/69/96/539826996.db2.gz HLGBBQJMIVMMSK-HNNXBMFYSA-N 1 0 365.861 2.063 20 30 FEEDRO C[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000029785958 539864474 /nfs/dbraw/zinc/86/44/74/539864474.db2.gz LTPMNCAMZJGLRR-HNNXBMFYSA-N 1 0 365.437 2.111 20 30 FEEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)CCOC[C@@H]3CCCO3)CC2)cc1 ZINC000076273801 542253571 /nfs/dbraw/zinc/25/35/71/542253571.db2.gz KJQVAYKHCNTGDE-FQEVSTJZSA-N 1 0 371.481 2.178 20 30 FEEDRO C[NH+]1CCN(c2ccc(CNc3ccc([N+](=O)[O-])cc3C#N)cn2)CC1 ZINC000045776481 540227343 /nfs/dbraw/zinc/22/73/43/540227343.db2.gz KPHWLSSBHDUQIP-UHFFFAOYSA-N 1 0 352.398 2.225 20 30 FEEDRO C[C@@H](Cn1cccn1)NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000046465560 540258646 /nfs/dbraw/zinc/25/86/46/540258646.db2.gz PQNZOFRKRPAUFY-KRWDZBQOSA-N 1 0 366.469 2.061 20 30 FEEDRO CCN1CC[NH+](CCCCNC(=O)N[C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000046754013 540269418 /nfs/dbraw/zinc/26/94/18/540269418.db2.gz RMQVKIQNIFIWSL-KRWDZBQOSA-N 1 0 357.502 2.336 20 30 FEEDRO C=CCNC(=O)c1ccc(NC(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000048159963 540348295 /nfs/dbraw/zinc/34/82/95/540348295.db2.gz VNOZRYXUOMYPMI-HOTGVXAUSA-N 1 0 374.485 2.223 20 30 FEEDRO CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)[C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000051855481 540446585 /nfs/dbraw/zinc/44/65/85/540446585.db2.gz WNPDSMMTTAQWGZ-CVEARBPZSA-N 1 0 354.458 2.268 20 30 FEEDRO CCN(CCC#N)C(=O)C[NH+]1CCC(C(=O)Nc2ccccc2OC)CC1 ZINC000052641837 540480048 /nfs/dbraw/zinc/48/00/48/540480048.db2.gz UZCKNVLEZFQTOB-UHFFFAOYSA-N 1 0 372.469 2.108 20 30 FEEDRO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCC(C(=O)Nc2ccccn2)CC1 ZINC000052828999 540491597 /nfs/dbraw/zinc/49/15/97/540491597.db2.gz NNODFKUXWOIPCL-INIZCTEOSA-N 1 0 356.470 2.321 20 30 FEEDRO N#Cc1ccc(OC[C@H](O)C[NH+]2CCC(C(=O)N3CCCCC3)CC2)cc1 ZINC000053399220 540531510 /nfs/dbraw/zinc/53/15/10/540531510.db2.gz SWYKZTOCCKZOIT-LJQANCHMSA-N 1 0 371.481 2.022 20 30 FEEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)NCCC[N@H+](C)C(C)C ZINC000054851289 540615057 /nfs/dbraw/zinc/61/50/57/540615057.db2.gz DAFAOJJLKFMHCF-UHFFFAOYSA-N 1 0 360.458 2.130 20 30 FEEDRO CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@H](C)C1CCN(CC(F)(F)F)CC1 ZINC000550660200 674104503 /nfs/dbraw/zinc/10/45/03/674104503.db2.gz JVSHGCPHBAVVAA-CJNGLKHVSA-N 1 0 362.440 2.293 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)Nc2nc3cc4c(cc3s2)OCCO4)CC1 ZINC000057152987 540773547 /nfs/dbraw/zinc/77/35/47/540773547.db2.gz SQLQWMAJDWNPPJ-UHFFFAOYSA-N 1 0 357.435 2.351 20 30 FEEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000060844993 541122806 /nfs/dbraw/zinc/12/28/06/541122806.db2.gz DKPYFOIWBGCIBB-ZIAGYGMSSA-N 1 0 358.486 2.033 20 30 FEEDRO CC[NH+]1CCN(Cc2ccc(CNC(=O)N3CCC(C#N)CC3)cc2)CC1 ZINC000060990233 541124293 /nfs/dbraw/zinc/12/42/93/541124293.db2.gz YSXRMPCUNZBLII-UHFFFAOYSA-N 1 0 369.513 2.269 20 30 FEEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc2c(c1)OCO2 ZINC000065931246 541272706 /nfs/dbraw/zinc/27/27/06/541272706.db2.gz SDZHGPVSAKCWCC-UHFFFAOYSA-N 1 0 351.406 2.491 20 30 FEEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)S(=O)(=O)c1ccc(F)cc1 ZINC000065975222 541276151 /nfs/dbraw/zinc/27/61/51/541276151.db2.gz IRFOYSFDNIYJMB-UHFFFAOYSA-N 1 0 361.442 2.450 20 30 FEEDRO CC[C@H](C)[N@H+](C)CCNC(=O)N1CCN(c2ccc(C#N)cc2F)CC1 ZINC000066196012 541289507 /nfs/dbraw/zinc/28/95/07/541289507.db2.gz AMTAQNYREKBWPO-HNNXBMFYSA-N 1 0 361.465 2.259 20 30 FEEDRO CC[NH+]1CCC(n2nccc2NC(=O)CNc2ccc(C#N)cc2)CC1 ZINC000066662736 541356204 /nfs/dbraw/zinc/35/62/04/541356204.db2.gz SDAQAJNCCPPDBP-UHFFFAOYSA-N 1 0 352.442 2.462 20 30 FEEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000066998635 541405290 /nfs/dbraw/zinc/40/52/90/541405290.db2.gz BMXMWGRPWAAMKK-UONOGXRCSA-N 1 0 362.499 2.476 20 30 FEEDRO N#CCCN(C(=O)CCC(=O)NCCC[NH+]1CCCC1)c1ccccc1 ZINC000068233163 541566479 /nfs/dbraw/zinc/56/64/79/541566479.db2.gz HWGYDPTYXIIQOV-UHFFFAOYSA-N 1 0 356.470 2.316 20 30 FEEDRO C[C@@H](NC(=O)C1CCCC1)C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000068501209 541600192 /nfs/dbraw/zinc/60/01/92/541600192.db2.gz BKKMRZROLAANMP-MRXNPFEDSA-N 1 0 370.497 2.143 20 30 FEEDRO Cc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000069121748 541659961 /nfs/dbraw/zinc/65/99/61/541659961.db2.gz YEMFVGHEOWAQAD-SFHVURJKSA-N 1 0 368.412 2.363 20 30 FEEDRO Cc1nc(C(=O)N(CCC#N)CCC[NH+](C)C)nn1-c1ccc(F)cc1 ZINC000069576427 541698064 /nfs/dbraw/zinc/69/80/64/541698064.db2.gz GNQNZVAHAIBVDY-UHFFFAOYSA-N 1 0 358.421 2.022 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH+]1CCC2(CNC(=O)C2)CC1 ZINC000072696927 541853757 /nfs/dbraw/zinc/85/37/57/541853757.db2.gz MIEBLUHDRHLKFN-HNNXBMFYSA-N 1 0 361.511 2.253 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CC[NH+]([C@@H](CC)CO)CC1 ZINC000072798023 541866924 /nfs/dbraw/zinc/86/69/24/541866924.db2.gz IQYPQLWPLRSVBH-IRXDYDNUSA-N 1 0 365.543 2.040 20 30 FEEDRO CCCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](CC(=O)N(CC)C[C@@H](C)C#N)C1 ZINC000066474429 205365445 /nfs/dbraw/zinc/36/54/45/205365445.db2.gz LNCQPIDYUXWXJN-YESZJQIVSA-N 1 0 350.507 2.011 20 30 FEEDRO COC(=O)[C@@H]1CCC[C@H](C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)C1 ZINC000073705401 541988658 /nfs/dbraw/zinc/98/86/58/541988658.db2.gz FRRICYRZNFVATE-RBUKOAKNSA-N 1 0 371.481 2.428 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N(C)[C@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000074132529 542040929 /nfs/dbraw/zinc/04/09/29/542040929.db2.gz QNIPMONPAQGJKT-SFHVURJKSA-N 1 0 356.470 2.084 20 30 FEEDRO C[C@@H](C(=O)N1CCCN(c2ncccc2C#N)CC1)[NH+]1CCCCCC1 ZINC000074248614 542058394 /nfs/dbraw/zinc/05/83/94/542058394.db2.gz JTVRBEBXPRBZMT-KRWDZBQOSA-N 1 0 355.486 2.256 20 30 FEEDRO N#CCCN(Cc1ccccn1)C(=O)c1cnn(CC[NH+]2CCCCC2)c1 ZINC000074258298 542059902 /nfs/dbraw/zinc/05/99/02/542059902.db2.gz GITZLRZKBQKGBD-UHFFFAOYSA-N 1 0 366.469 2.320 20 30 FEEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000074656377 542107609 /nfs/dbraw/zinc/10/76/09/542107609.db2.gz HLJHQPGQSOTQBC-GOSISDBHSA-N 1 0 374.529 2.276 20 30 FEEDRO C[C@@H](NC(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1)c1cccc(C#N)c1 ZINC000074917964 542135938 /nfs/dbraw/zinc/13/59/38/542135938.db2.gz GARCSCLKRQCRTP-VQIMIIECSA-N 1 0 355.486 2.041 20 30 FEEDRO C[C@@H](NC(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1)c1cccc(C#N)c1 ZINC000074918307 542136008 /nfs/dbraw/zinc/13/60/08/542136008.db2.gz MTGGVTZMRNHAOR-XLIONFOSSA-N 1 0 369.513 2.431 20 30 FEEDRO CC(C)[C@](C)(C#N)NC(=O)CN(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076110310 542233552 /nfs/dbraw/zinc/23/35/52/542233552.db2.gz LFDHVNZCPWZYJG-FPOVZHCZSA-N 1 0 356.514 2.495 20 30 FEEDRO CC[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)CC1CCN(c2ccccn2)CC1 ZINC000076108503 542234126 /nfs/dbraw/zinc/23/41/26/542234126.db2.gz FPBXCIUTGZLCEX-OAQYLSRUSA-N 1 0 369.513 2.428 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(OC(C)C)c(C)c2)CC1 ZINC000076526003 542289109 /nfs/dbraw/zinc/28/91/09/542289109.db2.gz WLYQXLFXEZZVFS-UHFFFAOYSA-N 1 0 359.470 2.487 20 30 FEEDRO C=CCCC[N@@H+](C)[C@H](C)C(=O)NCc1ccc(CN2CCOCC2)cc1 ZINC000076736347 542319374 /nfs/dbraw/zinc/31/93/74/542319374.db2.gz XHEYWCWPGVAPPA-GOSISDBHSA-N 1 0 359.514 2.422 20 30 FEEDRO C[C@H](C#N)CSc1ccccc1NC(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000077466334 542385046 /nfs/dbraw/zinc/38/50/46/542385046.db2.gz HIRFMYXFJALHGT-HUUCEWRRSA-N 1 0 361.515 2.306 20 30 FEEDRO C[C@@H]1CCC[C@@](CNC(=O)C(=O)Nc2ccc(F)c(C#N)c2)([NH+](C)C)C1 ZINC000077540711 542395226 /nfs/dbraw/zinc/39/52/26/542395226.db2.gz SLLZZGUOIXKKME-BFUOFWGJSA-N 1 0 360.433 2.263 20 30 FEEDRO COc1cc(C#N)ccc1OCC[N@@H+]1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000077655504 542405785 /nfs/dbraw/zinc/40/57/85/542405785.db2.gz UHJGPYKSRIRGIZ-QGZVFWFLSA-N 1 0 357.454 2.280 20 30 FEEDRO N#Cc1ccc(C[N@@H+]2CCCN(c3nnnn3-c3ccccc3)CC2)cc1 ZINC000078262248 542450867 /nfs/dbraw/zinc/45/08/67/542450867.db2.gz RJYFNYOOGMMJRX-UHFFFAOYSA-N 1 0 359.437 2.246 20 30 FEEDRO C[N@H+](C[C@H](O)COc1ccc(CC#N)cc1)C[C@H]1COc2ccccc2O1 ZINC000078778079 542481109 /nfs/dbraw/zinc/48/11/09/542481109.db2.gz POHAJRWLJOHJDR-HKUYNNGSSA-N 1 0 368.433 2.264 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC2(CC1)OCCO2)C(C)C ZINC000079440227 542518911 /nfs/dbraw/zinc/51/89/11/542518911.db2.gz KGEKHAMXYZAVCS-QGZVFWFLSA-N 1 0 351.491 2.234 20 30 FEEDRO C[C@@H]1C[C@H](NC(=O)NC2CCN(CC#N)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000080122533 542567045 /nfs/dbraw/zinc/56/70/45/542567045.db2.gz NPSUCKMPMSUIGM-YLJYHZDGSA-N 1 0 369.513 2.327 20 30 FEEDRO [NH2+]=C(NCc1ccc(Cn2cncn2)cc1)N[C@@H]1CCOc2ccccc21 ZINC000083030453 542690345 /nfs/dbraw/zinc/69/03/45/542690345.db2.gz HZNPTIYJAFSLFR-GOSISDBHSA-N 1 0 362.437 2.255 20 30 FEEDRO C[N@@H+](Cc1ccc(-c2ccccc2C#N)cc1)C[C@H](O)CN1CCOCC1 ZINC000083245807 542695857 /nfs/dbraw/zinc/69/58/57/542695857.db2.gz HUSQJBOLKLRRCQ-NRFANRHFSA-N 1 0 365.477 2.350 20 30 FEEDRO CCNC(=O)c1cccc(CNC(=[NH2+])N[C@@H]2CCOc3ccccc32)c1 ZINC000083032622 542690176 /nfs/dbraw/zinc/69/01/76/542690176.db2.gz YYCGPQZTZTWUND-QGZVFWFLSA-N 1 0 352.438 2.364 20 30 FEEDRO C[NH+]=C(NCc1cnc(N(C)C)n1C)N1CC[C@H](c2ccc(OC)cc2)C1 ZINC000088209370 542747814 /nfs/dbraw/zinc/74/78/14/542747814.db2.gz WBXOXUUBVOGSHP-INIZCTEOSA-N 1 0 370.501 2.060 20 30 FEEDRO CCN(CCC#N)C(=O)CNc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000088524471 542752977 /nfs/dbraw/zinc/75/29/77/542752977.db2.gz JMLGPGDFZQKWSW-IRXDYDNUSA-N 1 0 358.486 2.470 20 30 FEEDRO C=CCOc1cccc(NC(=O)C(=O)N(CC[NH+](C)C)Cc2ccco2)c1 ZINC000088820525 542757546 /nfs/dbraw/zinc/75/75/46/542757546.db2.gz WHKZCZKDGDHEAG-UHFFFAOYSA-N 1 0 371.437 2.373 20 30 FEEDRO CCc1ccccc1NC(=O)[C@@H](C)[N@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000089943418 542775953 /nfs/dbraw/zinc/77/59/53/542775953.db2.gz GZRXDVKHXMIEHY-CYBMUJFWSA-N 1 0 354.458 2.318 20 30 FEEDRO C[C@H]1C[NH+](CCCCNC(=O)Cc2cccc(OCC#N)c2)C[C@H](C)O1 ZINC000090060936 542781483 /nfs/dbraw/zinc/78/14/83/542781483.db2.gz VOJIFANVEYCDNU-IRXDYDNUSA-N 1 0 359.470 2.137 20 30 FEEDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(Nc2c(C#N)c(=O)n(C)c(=O)n2C)cc1 ZINC000091605777 542816214 /nfs/dbraw/zinc/81/62/14/542816214.db2.gz JWUKKMDABZQLLP-AWEZNQCLSA-N 1 0 367.453 2.074 20 30 FEEDRO C[N@H+](CC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1)[C@H]1CCSC1 ZINC000092034870 542839238 /nfs/dbraw/zinc/83/92/38/542839238.db2.gz SWMUOKMFJVLFBA-CGZBRXJRSA-N 1 0 374.510 2.197 20 30 FEEDRO C[C@@H](C(=O)N1CCCN(c2ncccc2C#N)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000101655186 543039645 /nfs/dbraw/zinc/03/96/45/543039645.db2.gz PYCCJDFMSPOCGW-ZACQAIPSSA-N 1 0 355.486 2.253 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Cc1nc2nc(C)cc(C)n2n1)C(C)C ZINC000101684361 543041446 /nfs/dbraw/zinc/04/14/46/543041446.db2.gz BIMDKWNLMVKBGP-QGZVFWFLSA-N 1 0 370.501 2.098 20 30 FEEDRO CC(C)C(=O)NC[C@@H]1CCC[N@H+](CCC(=O)Nc2sccc2C#N)C1 ZINC000101911345 543048705 /nfs/dbraw/zinc/04/87/05/543048705.db2.gz NEQJESUFGWZNLM-AWEZNQCLSA-N 1 0 362.499 2.433 20 30 FEEDRO CCN1CC[NH+](C[C@@H](C)CNC(=O)CSc2ccc(C#N)cc2)CC1 ZINC000103206448 543097315 /nfs/dbraw/zinc/09/73/15/543097315.db2.gz BAWRMTPZZGQLBT-INIZCTEOSA-N 1 0 360.527 2.040 20 30 FEEDRO C=CCNC(=O)NC(=O)[C@H](C)[N@H+](C)CCCc1cc(-c2ccccc2)n[nH]1 ZINC000103474861 543109381 /nfs/dbraw/zinc/10/93/81/543109381.db2.gz UBZQZDKZZIXHMY-HNNXBMFYSA-N 1 0 369.469 2.341 20 30 FEEDRO C[N@H+](CCN1CCN(C(=O)c2ccc(C#N)cc2)CC1)Cc1ccccc1 ZINC000104437652 543131794 /nfs/dbraw/zinc/13/17/94/543131794.db2.gz QTQYLBORGZWIDS-UHFFFAOYSA-N 1 0 362.477 2.448 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)c2ccc(C)c(NS(C)(=O)=O)c2)CC1 ZINC000106036934 543186353 /nfs/dbraw/zinc/18/63/53/543186353.db2.gz JFIJUIGNBFOJJZ-UHFFFAOYSA-N 1 0 365.499 2.137 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2ccc(C(=O)N(C)C)cc2)CC1 ZINC000106262569 543221486 /nfs/dbraw/zinc/22/14/86/543221486.db2.gz VYEBCOAIEMHDBW-UHFFFAOYSA-N 1 0 358.486 2.228 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)NCCC(=O)NC2CCCCC2)CC1 ZINC000106265287 543221509 /nfs/dbraw/zinc/22/15/09/543221509.db2.gz USHOJZQFGZNCSJ-UHFFFAOYSA-N 1 0 350.507 2.165 20 30 FEEDRO COCC[N@H+](C)CC[C@H](NC(=O)c1ccc(C#N)cn1)c1ccccc1 ZINC000107477154 543271452 /nfs/dbraw/zinc/27/14/52/543271452.db2.gz FZEYNQFAZUELEY-SFHVURJKSA-N 1 0 352.438 2.393 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N[C@H]2CC[N@H+](CC3CC3)C2)c(C(F)(F)F)c1 ZINC000108403992 543288930 /nfs/dbraw/zinc/28/89/30/543288930.db2.gz MLFGPYOSKQIPOU-ZDUSSCGKSA-N 1 0 373.400 2.340 20 30 FEEDRO COc1cccc([C@H](CNC(=O)C2(C#N)CCOCC2)[NH+]2CCCC2)c1 ZINC000109138462 543315638 /nfs/dbraw/zinc/31/56/38/543315638.db2.gz KHUBFDSAWJAXPQ-SFHVURJKSA-N 1 0 357.454 2.269 20 30 FEEDRO C[N@@H+]1CCCC[C@@H]1CN1CCN(Cc2cn3ccccc3c2C#N)CC1 ZINC000109755255 543336743 /nfs/dbraw/zinc/33/67/43/543336743.db2.gz HPGSRZVZIOBNFF-LJQANCHMSA-N 1 0 351.498 2.413 20 30 FEEDRO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)Cc2ccc(OCC#N)cc2)C[C@H](C)O1 ZINC000110662647 543364517 /nfs/dbraw/zinc/36/45/17/543364517.db2.gz JTNCIWOCJCSPLU-SCTDSRPQSA-N 1 0 371.481 2.232 20 30 FEEDRO CN(C)[C@H](C[NH2+]C[C@@H](O)COc1ccc(CC#N)cc1)c1cccs1 ZINC000551947080 674175282 /nfs/dbraw/zinc/17/52/82/674175282.db2.gz AIWGUETXVIEVQH-SJLPKXTDSA-N 1 0 359.495 2.446 20 30 FEEDRO CC(C)[NH+]1CCN(c2ccc(C(=O)NC3(C#N)CCOCC3)cc2)CC1 ZINC000115465397 543569031 /nfs/dbraw/zinc/56/90/31/543569031.db2.gz HDMCNBYBXLPNGP-UHFFFAOYSA-N 1 0 356.470 2.020 20 30 FEEDRO Cc1cc(C(=O)NC2CC[NH+](CCOc3ccc(C#N)cc3)CC2)no1 ZINC000116076027 543597590 /nfs/dbraw/zinc/59/75/90/543597590.db2.gz OVVCORQMRCJZIC-UHFFFAOYSA-N 1 0 354.410 2.128 20 30 FEEDRO N#CCCn1ccc(NC(=O)CCC[NH+]2CCN(c3ccccc3)CC2)n1 ZINC000117715868 543638508 /nfs/dbraw/zinc/63/85/08/543638508.db2.gz WWYMJJMSVVRZJU-UHFFFAOYSA-N 1 0 366.469 2.338 20 30 FEEDRO CC(C)[N@@H+](C)CCNC(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000118122189 543646910 /nfs/dbraw/zinc/64/69/10/543646910.db2.gz PTBFOERHMSACMT-CQSZACIVSA-N 1 0 362.499 2.476 20 30 FEEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000118129305 543647614 /nfs/dbraw/zinc/64/76/14/543647614.db2.gz XIRXIBXUNCESFJ-KGLIPLIRSA-N 1 0 374.510 2.476 20 30 FEEDRO C[N@H+](CCCc1[nH]nc(N)c1C#N)Cc1ccc(OCC(F)(F)F)nc1 ZINC000121481462 543695010 /nfs/dbraw/zinc/69/50/10/543695010.db2.gz ANQDWDFYTDNGMA-UHFFFAOYSA-N 1 0 368.363 2.264 20 30 FEEDRO CC(C)(O)[C@@H]1CCC[N@@H+]1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000119115893 543664235 /nfs/dbraw/zinc/66/42/35/543664235.db2.gz QOXJVJVBBKBQCZ-INIZCTEOSA-N 1 0 368.399 2.408 20 30 FEEDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000119289311 543665993 /nfs/dbraw/zinc/66/59/93/543665993.db2.gz UXAMDFZNEGMZDQ-PBHICJAKSA-N 1 0 356.470 2.225 20 30 FEEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000119433232 543667838 /nfs/dbraw/zinc/66/78/38/543667838.db2.gz KYPQRDFKBOSHFW-PKOBYXMFSA-N 1 0 357.502 2.289 20 30 FEEDRO C[NH+]=C(NCc1nncn1C)N[C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000119588849 543669469 /nfs/dbraw/zinc/66/94/69/543669469.db2.gz NICMZNOYICLNHM-OAHLLOKOSA-N 1 0 354.458 2.317 20 30 FEEDRO N#CC1(C(=O)N2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)CCC1 ZINC000119658735 543670678 /nfs/dbraw/zinc/67/06/78/543670678.db2.gz QACBNGSKLKBTPZ-GOSISDBHSA-N 1 0 367.497 2.136 20 30 FEEDRO Cc1ccc(C(=O)N(CCC#N)CCC[NH+](C)C)c(Br)n1 ZINC000123067531 543740678 /nfs/dbraw/zinc/74/06/78/543740678.db2.gz QGHFYHUMBZPNKW-UHFFFAOYSA-N 1 0 353.264 2.460 20 30 FEEDRO C=CCOc1ccc(CN2CCN(CC(=O)Nc3cc(C)on3)CC2)cc1 ZINC000123112960 543742616 /nfs/dbraw/zinc/74/26/16/543742616.db2.gz FYWYETHHFDPMEM-UHFFFAOYSA-N 1 0 370.453 2.304 20 30 FEEDRO C[C@@H](CNC(=O)C(=O)Nc1cccc(OCCCC#N)c1)C[NH+]1CCCC1 ZINC000122475405 543707095 /nfs/dbraw/zinc/70/70/95/543707095.db2.gz AWWBZAUYSSTHHB-INIZCTEOSA-N 1 0 372.469 2.156 20 30 FEEDRO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+](C)CC(C)(C)CN1CCOCC1 ZINC000123910940 543790606 /nfs/dbraw/zinc/79/06/06/543790606.db2.gz VCCFPTWVVVJQQX-INIZCTEOSA-N 1 0 358.486 2.175 20 30 FEEDRO C[C@H]1C[C@@H](N(C)CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CC[N@@H+]1C ZINC000123663189 543775475 /nfs/dbraw/zinc/77/54/75/543775475.db2.gz MEKLWTSBHJVAAS-YJBOKZPZSA-N 1 0 366.469 2.097 20 30 FEEDRO CC(C)[C@](C)(C#N)NC(=O)CNc1ccc(N2CCCCC2)cc1C(N)=O ZINC000124124947 543802122 /nfs/dbraw/zinc/80/21/22/543802122.db2.gz RDMBZORJRBMMKS-FQEVSTJZSA-N 1 0 371.485 2.242 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)Nc1c(C)noc1CC)C(C)C ZINC000124921485 543851304 /nfs/dbraw/zinc/85/13/04/543851304.db2.gz MUXDSXLUWUMXTF-HNNXBMFYSA-N 1 0 362.474 2.299 20 30 FEEDRO C[C@H](C[NH+]1CCN(c2ccccc2)CC1)/N=C/c1ccc(O)c(O)c1O ZINC000125138286 543863825 /nfs/dbraw/zinc/86/38/25/543863825.db2.gz NKLIECCAYSCPPC-NWGMWSOJSA-N 1 0 355.438 2.433 20 30 FEEDRO Cc1ccc(Cl)cc1NC(=O)C[N@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000125452653 543882779 /nfs/dbraw/zinc/88/27/79/543882779.db2.gz VPOIYTVUVBWCHC-UHFFFAOYSA-N 1 0 360.849 2.329 20 30 FEEDRO CCc1nnc(N2CCCC[C@@H]([NH+]3CCN(C)CC3)C2)c(C#N)c1CC ZINC000127021330 543968252 /nfs/dbraw/zinc/96/82/52/543968252.db2.gz MOAUTLOVBKBASA-MRXNPFEDSA-N 1 0 356.518 2.079 20 30 FEEDRO C#CCOc1ccc([C@@H](C)[NH2+]CCc2ccc(S(N)(=O)=O)cc2)cc1 ZINC000128017689 544028205 /nfs/dbraw/zinc/02/82/05/544028205.db2.gz DTIRICSJEXYNOP-OAHLLOKOSA-N 1 0 358.463 2.239 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(C(C)=O)c(C)c2)CC1 ZINC000129487523 544115040 /nfs/dbraw/zinc/11/50/40/544115040.db2.gz UFAVEBKDAKSVEP-UHFFFAOYSA-N 1 0 357.454 2.293 20 30 FEEDRO N#Cc1ccc(C[NH2+]C[C@@H](O)COc2ccccc2Br)o1 ZINC000131044393 544175272 /nfs/dbraw/zinc/17/52/72/544175272.db2.gz FHCSUHYPOZMLLP-LLVKDONJSA-N 1 0 351.200 2.443 20 30 FEEDRO N#CCOc1ccc(/C=C/C(=O)N2CCC(C[NH+]3CCOCC3)CC2)cc1 ZINC000131069870 544175928 /nfs/dbraw/zinc/17/59/28/544175928.db2.gz RTFVNFZEBICQMI-ZZXKWVIFSA-N 1 0 369.465 2.173 20 30 FEEDRO Cc1ccc(N(CCC#N)C(=O)C[NH2+][C@H]2CCCC[C@H]2C(N)=O)cc1C ZINC000131152790 544178639 /nfs/dbraw/zinc/17/86/39/544178639.db2.gz OFJHNTGOHXRBLO-MSOLQXFVSA-N 1 0 356.470 2.184 20 30 FEEDRO C=CC[C@H](C)NC(=O)C(=O)Nc1cccc(N2CC[NH+](C(C)C)CC2)c1 ZINC000133453633 544270596 /nfs/dbraw/zinc/27/05/96/544270596.db2.gz UDOUVXBHJZAURJ-INIZCTEOSA-N 1 0 358.486 2.236 20 30 FEEDRO CCOC(=O)CNC(=O)C1CC[NH+](Cc2ccccc2C(C)(C)C#N)CC1 ZINC000134536900 544312046 /nfs/dbraw/zinc/31/20/46/544312046.db2.gz DASPILUDNBXEEB-UHFFFAOYSA-N 1 0 371.481 2.379 20 30 FEEDRO CCC[C@H](C)[C@H]1CCC[N@@H+]1CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 ZINC000135345035 544343019 /nfs/dbraw/zinc/34/30/19/544343019.db2.gz QFVMOHCLSWAJJF-MAUKXSAKSA-N 1 0 373.501 2.404 20 30 FEEDRO N#Cc1ccc(NC(=O)CC[NH+]2CCN(Cc3cscn3)CC2)cc1 ZINC000138950947 544399019 /nfs/dbraw/zinc/39/90/19/544399019.db2.gz UALABDZDTNRVTG-UHFFFAOYSA-N 1 0 355.467 2.161 20 30 FEEDRO C[C@@H]1CN(C[C@@H]2CCCN2CC(=O)Nc2cccc(C#N)c2)C[C@H](C)O1 ZINC000139096452 544400143 /nfs/dbraw/zinc/40/01/43/544400143.db2.gz HAGNOHSBMYJALE-FCEWJHQRSA-N 1 0 356.470 2.070 20 30 FEEDRO C=CCOc1cccc(NC(=O)C(=O)NCC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000145624455 544435288 /nfs/dbraw/zinc/43/52/88/544435288.db2.gz UQWACMHLSCRXIB-ZXFUBFMLSA-N 1 0 357.454 2.179 20 30 FEEDRO C[C@H]1C[C@H](NC(=O)C(=O)Nc2cccc(OCCCC#N)c2)C[N@@H+]1C1CC1 ZINC000151794465 544581742 /nfs/dbraw/zinc/58/17/42/544581742.db2.gz ALOYNEDUMLPWRP-HOCLYGCPSA-N 1 0 370.453 2.049 20 30 FEEDRO N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@H]2C[C@@H](O)c2ccco2)cc1 ZINC000151866965 544590220 /nfs/dbraw/zinc/59/02/20/544590220.db2.gz FQVRITARQINFCX-JENIJYKNSA-N 1 0 356.422 2.479 20 30 FEEDRO CC(C)(Oc1ccc(C#N)cc1)C(=O)NCCCC[N@@H+]1CCC[C@@H]1CO ZINC000152158323 544620290 /nfs/dbraw/zinc/62/02/90/544620290.db2.gz PFFOMGADCCHFJT-QGZVFWFLSA-N 1 0 359.470 2.069 20 30 FEEDRO Cc1ccc([C@H](C)NC(=O)C[N@H+](C)CCCc2[nH]nc(N)c2C#N)cc1C ZINC000153297136 544757621 /nfs/dbraw/zinc/75/76/21/544757621.db2.gz BDRQKGLNKUXQSM-HNNXBMFYSA-N 1 0 368.485 2.222 20 30 FEEDRO C[N@H+](CCCc1nc(-c2ccccc2)no1)CCCc1[nH]nc(N)c1C#N ZINC000153311737 544759528 /nfs/dbraw/zinc/75/95/28/544759528.db2.gz WYMBHCCNHAIOMK-UHFFFAOYSA-N 1 0 365.441 2.411 20 30 FEEDRO CC[NH+]=C(NC[C@H](O)c1ccc(C)cc1)N[C@H]1CCCn2nc(C)nc21 ZINC000153615467 544798739 /nfs/dbraw/zinc/79/87/39/544798739.db2.gz KEPHUEDWYQOJIJ-IRXDYDNUSA-N 1 0 356.474 2.019 20 30 FEEDRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(CCOc2ccc(C#N)cc2)CC1 ZINC000153984613 544848498 /nfs/dbraw/zinc/84/84/98/544848498.db2.gz MWOBQWSSMGTIJY-RTBURBONSA-N 1 0 356.514 2.427 20 30 FEEDRO CN1c2ccccc2N(C)C1=C1C(=N)N(C[C@@H]2CC[N@@H+](C3CC3)C2)CC1=O ZINC000153979897 544847404 /nfs/dbraw/zinc/84/74/04/544847404.db2.gz SLGBRUKDWIZDSR-CQSZACIVSA-N 1 0 365.481 2.130 20 30 FEEDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)Nc1cc(C#N)ccc1Cl ZINC000154400113 544900874 /nfs/dbraw/zinc/90/08/74/544900874.db2.gz VXDBZEHVWXFSFY-AWEZNQCLSA-N 1 0 362.861 2.483 20 30 FEEDRO C=CCSCCNC(=O)C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000552503269 674212300 /nfs/dbraw/zinc/21/23/00/674212300.db2.gz QTGNOMBUGWPCIT-IRXDYDNUSA-N 1 0 367.559 2.135 20 30 FEEDRO N#Cc1cc(C(=O)NCCc2ccc(OCC[NH+]3CCCC3)cc2)c[nH]1 ZINC000181382808 327727829 /nfs/dbraw/zinc/72/78/29/327727829.db2.gz VYMZWGNHXMSMHZ-UHFFFAOYSA-N 1 0 352.438 2.333 20 30 FEEDRO CC[NH+](CC)CCN(CCOC)S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000184476895 327869202 /nfs/dbraw/zinc/86/92/02/327869202.db2.gz GEFJTLGKGXKHFN-UHFFFAOYSA-N 1 0 373.906 2.191 20 30 FEEDRO COc1cc(C#N)ccc1S(=O)(=O)N[C@H](C)C[NH+]1CCCCCC1 ZINC000186771619 327981563 /nfs/dbraw/zinc/98/15/63/327981563.db2.gz HBILOGZDMGNZLR-CQSZACIVSA-N 1 0 351.472 2.110 20 30 FEEDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)C1CCN(c2oc(C)nc2C#N)CC1 ZINC000189381284 328144405 /nfs/dbraw/zinc/14/44/05/328144405.db2.gz FZMVDSNBVRUCDF-KRWDZBQOSA-N 1 0 373.501 2.452 20 30 FEEDRO N#Cc1ccc(NC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)c(F)c1 ZINC000189400217 328145572 /nfs/dbraw/zinc/14/55/72/328145572.db2.gz IWCOHSFCIUIYDC-OAHLLOKOSA-N 1 0 358.417 2.113 20 30 FEEDRO CCO[C@H]1C[C@@](CO)([NH2+]CC(=O)Nc2cc(Cl)ccc2C#N)C1(C)C ZINC000189959886 328178819 /nfs/dbraw/zinc/17/88/19/328178819.db2.gz AAXBCQKZLRVGAE-YJBOKZPZSA-N 1 0 365.861 2.306 20 30 FEEDRO CCO[C@@H]1C[C@](CO)([NH2+]CC(=O)Nc2sc(C)c(C)c2C#N)C1(C)C ZINC000190012853 328182381 /nfs/dbraw/zinc/18/23/81/328182381.db2.gz FGZAWYGARHMQSF-RDTXWAMCSA-N 1 0 365.499 2.331 20 30 FEEDRO N#Cc1ccc(Br)c(CN2CCC(N3CCNC3=O)CC2)c1 ZINC000191777055 328281200 /nfs/dbraw/zinc/28/12/00/328281200.db2.gz NSWQPZAQGIAAEH-UHFFFAOYSA-N 1 0 363.259 2.310 20 30 FEEDRO Cc1nc(C#N)c(N2CCC(C(=O)NCCC[NH+]3CCCCC3)CC2)o1 ZINC000192135258 328301703 /nfs/dbraw/zinc/30/17/03/328301703.db2.gz BFTMSDBNEYIUNY-UHFFFAOYSA-N 1 0 359.474 2.063 20 30 FEEDRO N#Cc1ccc(CN2CC[C@@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000192242887 328308590 /nfs/dbraw/zinc/30/85/90/328308590.db2.gz QDLKPJIYUWAJDX-GOSISDBHSA-N 1 0 350.378 2.357 20 30 FEEDRO C[C@H](CNC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C)[NH+]1CCC(C)CC1 ZINC000192791528 328339859 /nfs/dbraw/zinc/33/98/59/328339859.db2.gz QRGVVXUAMCVOKB-OAHLLOKOSA-N 1 0 373.501 2.290 20 30 FEEDRO C[NH+](C)CC1CCC(NC(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)CC1 ZINC000193208069 328362724 /nfs/dbraw/zinc/36/27/24/328362724.db2.gz RKHVGPGCQGWWLC-UHFFFAOYSA-N 1 0 373.501 2.290 20 30 FEEDRO CCC[NH+]1CCC(N(C)C(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)CC1 ZINC000193365363 328370745 /nfs/dbraw/zinc/37/07/45/328370745.db2.gz VSMRTXKWJXIROP-UHFFFAOYSA-N 1 0 373.501 2.386 20 30 FEEDRO CC(C)CC[NH+]1CCC(CNC(=O)C(=O)Nc2ccc(C#N)cc2)CC1 ZINC000079910553 325110047 /nfs/dbraw/zinc/11/00/47/325110047.db2.gz UIJLXUIJDFMBST-UHFFFAOYSA-N 1 0 356.470 2.371 20 30 FEEDRO CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000081035541 325156105 /nfs/dbraw/zinc/15/61/05/325156105.db2.gz FLKJISCPPRDEOI-FQEVSTJZSA-N 1 0 371.481 2.285 20 30 FEEDRO CC[N@H+](CCNS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1)C1CC1 ZINC000083537843 325218245 /nfs/dbraw/zinc/21/82/45/325218245.db2.gz FIPBAFPJRMPIFA-UHFFFAOYSA-N 1 0 361.389 2.340 20 30 FEEDRO C[C@H](CNS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1)[N@H+](C)C1CC1 ZINC000083537863 325218964 /nfs/dbraw/zinc/21/89/64/325218964.db2.gz RQEIVSJHVBKSLL-SNVBAGLBSA-N 1 0 361.389 2.338 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)Cc2ccccc2OC(F)F)c1C#N ZINC000089674646 325326114 /nfs/dbraw/zinc/32/61/14/325326114.db2.gz BSOJSVJGDHBWTL-UHFFFAOYSA-N 1 0 363.368 2.216 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2sccc2OC(F)F)c1C#N ZINC000089674033 325326356 /nfs/dbraw/zinc/32/63/56/325326356.db2.gz YITMDENZIHFHED-UHFFFAOYSA-N 1 0 355.370 2.349 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)C[C@@H]2CCOc3ccccc32)c1C#N ZINC000089675636 325326630 /nfs/dbraw/zinc/32/66/30/325326630.db2.gz AVVAVKGHUDWDGM-ZDUSSCGKSA-N 1 0 353.426 2.328 20 30 FEEDRO N#Cc1cccc(OC2CC[NH+](CCCNC(=O)C(F)(F)F)CC2)c1 ZINC000091556276 325387052 /nfs/dbraw/zinc/38/70/52/325387052.db2.gz GGDCJHGKVMYDTL-UHFFFAOYSA-N 1 0 355.360 2.470 20 30 FEEDRO N#Cc1cc(Br)cc(S(=O)(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000238025929 328538503 /nfs/dbraw/zinc/53/85/03/328538503.db2.gz RBYJIQJFFYLBGA-BXUZGUMPSA-N 1 0 372.288 2.117 20 30 FEEDRO N#Cc1cnc2ccccc2c1N1CC[NH+](CC[C@@H]2CCOC2=O)CC1 ZINC000120334684 326250301 /nfs/dbraw/zinc/25/03/01/326250301.db2.gz ITXRLTJGDAEQQD-OAHLLOKOSA-N 1 0 350.422 2.182 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000120735871 326283498 /nfs/dbraw/zinc/28/34/98/326283498.db2.gz ZFMNROJQYFXJIR-QRVBRYPASA-N 1 0 370.497 2.445 20 30 FEEDRO CN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000121143437 326316710 /nfs/dbraw/zinc/31/67/10/326316710.db2.gz KETLUXCPCPEQFO-UHFFFAOYSA-N 1 0 350.422 2.217 20 30 FEEDRO N#Cc1cc(F)ccc1S(=O)(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000121707900 326359987 /nfs/dbraw/zinc/35/99/87/326359987.db2.gz UJIPVKPRZAWFKN-CXAGYDPISA-N 1 0 363.458 2.335 20 30 FEEDRO CCC[C@H]1CN(CCC(=O)Nc2ccccc2C#N)CC[N@@H+]1CCOC ZINC000121918228 326375843 /nfs/dbraw/zinc/37/58/43/326375843.db2.gz LQOWLKRKKNKPNZ-SFHVURJKSA-N 1 0 358.486 2.320 20 30 FEEDRO CCC[NH+]1CCC(N2CCN(C(=O)c3ccc(C#N)cc3C)CC2)CC1 ZINC000122616697 326403527 /nfs/dbraw/zinc/40/35/27/326403527.db2.gz INARDCMRRHPIDV-UHFFFAOYSA-N 1 0 354.498 2.499 20 30 FEEDRO CC(C)[C@H](CNC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CCCC1 ZINC000122877329 326412636 /nfs/dbraw/zinc/41/26/36/326412636.db2.gz ZAJLVPFPBOCOKY-INIZCTEOSA-N 1 0 362.861 2.387 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1C#N ZINC000128189227 326519475 /nfs/dbraw/zinc/51/94/75/326519475.db2.gz WDAGUZAAMJBNIH-UHFFFAOYSA-N 1 0 362.777 2.247 20 30 FEEDRO Cc1ccc(CN(CC[NH+](C)C)S(=O)(=O)c2ccc(C#N)cc2F)o1 ZINC000151088138 326674688 /nfs/dbraw/zinc/67/46/88/326674688.db2.gz DOLHEEDXIGGRER-UHFFFAOYSA-N 1 0 365.430 2.351 20 30 FEEDRO C[NH+]1CCC(NC(=O)Nc2ccc(NC(=O)c3ccc(C#N)[nH]3)cc2)CC1 ZINC000153072061 326723362 /nfs/dbraw/zinc/72/33/62/326723362.db2.gz DWEGRAUJFGCIJE-UHFFFAOYSA-N 1 0 366.425 2.354 20 30 FEEDRO C[NH+](C)CCN(Cc1cccc(F)c1)S(=O)(=O)c1ccccc1C#N ZINC000156854441 326846123 /nfs/dbraw/zinc/84/61/23/326846123.db2.gz OJLJMTRGSUSBDG-UHFFFAOYSA-N 1 0 361.442 2.450 20 30 FEEDRO C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000158350495 326893055 /nfs/dbraw/zinc/89/30/55/326893055.db2.gz IKDBPARPQFFWAG-XLIONFOSSA-N 1 0 371.481 2.429 20 30 FEEDRO CC(C)Oc1ccc(NC(=O)C(=O)NC2CC[NH+](C(C)C)CC2)cc1C#N ZINC000160014016 326950605 /nfs/dbraw/zinc/95/06/05/326950605.db2.gz QQEHKKLVSFYYCU-UHFFFAOYSA-N 1 0 372.469 2.273 20 30 FEEDRO CC[C@H]1CN(C(=O)C(C)(C)Oc2ccc(C#N)cc2)CC[N@@H+]1C[C@@H](C)O ZINC000163400964 327050711 /nfs/dbraw/zinc/05/07/11/327050711.db2.gz WHVFVSNYEFSVJR-WBVHZDCISA-N 1 0 359.470 2.019 20 30 FEEDRO CCC[NH+](CCC)CCCC(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000163510303 327053313 /nfs/dbraw/zinc/05/33/13/327053313.db2.gz JGTKEMVLAKXTEN-KRWDZBQOSA-N 1 0 372.517 2.288 20 30 FEEDRO CC(C)(C)n1cc(C#N)cc1NC(=O)NCCCC[N@@H+]1CCC[C@@H]1CO ZINC000171788418 327161596 /nfs/dbraw/zinc/16/15/96/327161596.db2.gz BLWYQXWJLNRVCL-MRXNPFEDSA-N 1 0 361.490 2.473 20 30 FEEDRO Cc1oc(NC(=O)CN2CCC(OCC[NH+]3CCCC3)CC2)c(C#N)c1C ZINC000174237930 327314855 /nfs/dbraw/zinc/31/48/55/327314855.db2.gz PMOVJKMJBCBYIA-UHFFFAOYSA-N 1 0 374.485 2.283 20 30 FEEDRO COc1cc(C#N)ccc1OCC(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000174549182 327334528 /nfs/dbraw/zinc/33/45/28/327334528.db2.gz ADPYZOSRCXIOKE-QGZVFWFLSA-N 1 0 357.454 2.280 20 30 FEEDRO C[N@H+](CCC(=O)Nc1ccccc1C#N)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000174783768 327350958 /nfs/dbraw/zinc/35/09/58/327350958.db2.gz QROYNVYTOCAAFN-IRXDYDNUSA-N 1 0 363.483 2.174 20 30 FEEDRO COc1cc(C#N)ccc1OCC[N@@H+]1CCCC[C@H](N2CCN(C)CC2)C1 ZINC000174886830 327358331 /nfs/dbraw/zinc/35/83/31/327358331.db2.gz SYKMRPYZEMRAKU-IBGZPJMESA-N 1 0 372.513 2.048 20 30 FEEDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N2CCN(c3ccccc3C#N)CC2)C1 ZINC000176638867 327467674 /nfs/dbraw/zinc/46/76/74/327467674.db2.gz SJLXLNSWSZERFO-ZWKOTPCHSA-N 1 0 355.486 2.263 20 30 FEEDRO N#Cc1cc(S(=O)(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)ccc1C(F)(F)F ZINC000262094494 328841664 /nfs/dbraw/zinc/84/16/64/328841664.db2.gz SCCQOBWTDNWDFM-PSOPSSQASA-N 1 0 373.400 2.325 20 30 FEEDRO CC[NH+]1CCN([C@H]2CCN(C(=O)N[C@@H](C)c3ccc(C#N)cc3)C2)CC1 ZINC000264370363 329015421 /nfs/dbraw/zinc/01/54/21/329015421.db2.gz GKODIRJTFYIGBB-LPHOPBHVSA-N 1 0 355.486 2.041 20 30 FEEDRO CN1CC[NH+](CC2CCN(C(=O)/C=C/c3ccc(C#N)cc3)CC2)CC1 ZINC000264708458 329051464 /nfs/dbraw/zinc/05/14/64/329051464.db2.gz DJJUPDYRHBQQSM-VOTSOKGWSA-N 1 0 352.482 2.057 20 30 FEEDRO C[C@@H](CNC(=O)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)[NH+](C)C ZINC000265509832 329134565 /nfs/dbraw/zinc/13/45/65/329134565.db2.gz IKYYADDSALRSKT-AWEZNQCLSA-N 1 0 366.421 2.355 20 30 FEEDRO N#Cc1ccc(CNC(=O)CN2CCC[C@@H](c3nnc4ccccn43)C2)cc1 ZINC000265661296 329147661 /nfs/dbraw/zinc/14/76/61/329147661.db2.gz RZIOAYKALWFXKO-GOSISDBHSA-N 1 0 374.448 2.097 20 30 FEEDRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(c2c(C#N)nnc3ccccc32)CC1 ZINC000265846598 329166084 /nfs/dbraw/zinc/16/60/84/329166084.db2.gz PAVRRHBNCYAAQK-IRXDYDNUSA-N 1 0 364.497 2.496 20 30 FEEDRO CCCCNC(=O)C1([NH2+]CC(=O)NCc2ccc(C#N)cc2)CCCCC1 ZINC000267916326 329368051 /nfs/dbraw/zinc/36/80/51/329368051.db2.gz HKXOYCAKUXWCAN-UHFFFAOYSA-N 1 0 370.497 2.383 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CCCc2n[nH]cc21 ZINC000268164448 329392174 /nfs/dbraw/zinc/39/21/74/329392174.db2.gz QSHOARMAOSDVIV-KRWDZBQOSA-N 1 0 351.454 2.292 20 30 FEEDRO CN(Cc1ccc(C#N)cc1)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000269326816 329508060 /nfs/dbraw/zinc/50/80/60/329508060.db2.gz NDCZVGAVEYAOHG-RBUKOAKNSA-N 1 0 356.470 2.077 20 30 FEEDRO CC(C)Oc1ccc(NC(=O)C(=O)NCC2([NH+](C)C)CCCC2)cc1C#N ZINC000269382171 329513448 /nfs/dbraw/zinc/51/34/48/329513448.db2.gz NUSCHUXPGUIBJZ-UHFFFAOYSA-N 1 0 372.469 2.275 20 30 FEEDRO C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)Nc3ccc(Cl)c(C#N)c3)C2)CC1 ZINC000270082465 329573116 /nfs/dbraw/zinc/57/31/16/329573116.db2.gz FIQQWJPJGSMMCR-CQSZACIVSA-N 1 0 374.872 2.340 20 30 FEEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000270242527 329584814 /nfs/dbraw/zinc/58/48/14/329584814.db2.gz PHBSINKBTQBOQJ-QGZVFWFLSA-N 1 0 370.497 2.399 20 30 FEEDRO COC(=O)[C@@H]1CCCC[C@]1(C)[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000270493847 329605223 /nfs/dbraw/zinc/60/52/23/329605223.db2.gz UXYDPNKFRLAQEO-WMZOPIPTSA-N 1 0 364.467 2.043 20 30 FEEDRO C[C@@H]([NH2+]CCS(=O)(=O)NCc1ccccc1)c1ccc(C#N)c(F)c1 ZINC000271930877 329738269 /nfs/dbraw/zinc/73/82/69/329738269.db2.gz HYDUVORGYFCAFA-CQSZACIVSA-N 1 0 361.442 2.468 20 30 FEEDRO COC(=O)[C@H](c1cccc(C#N)c1)N1C[C@@H](SC)[C@@H]([NH+]2CCCC2)C1 ZINC000274138864 329919214 /nfs/dbraw/zinc/91/92/14/329919214.db2.gz WYKSTPROQVHJTC-KSZLIROESA-N 1 0 359.495 2.284 20 30 FEEDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)Nc1ccc(C#N)cc1Cl ZINC000275418904 330046679 /nfs/dbraw/zinc/04/66/79/330046679.db2.gz MDARWMFSBTTWIG-AWEZNQCLSA-N 1 0 362.861 2.483 20 30 FEEDRO COc1cc(C#N)ccc1OCC(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000276256531 330134080 /nfs/dbraw/zinc/13/40/80/330134080.db2.gz OAUJJIZHTBYJEI-UHFFFAOYSA-N 1 0 367.449 2.366 20 30 FEEDRO CCN(CCC[NH+]1CCCC1)C(=O)C(=O)Nc1cc(C#N)ccc1Cl ZINC000276351099 330143959 /nfs/dbraw/zinc/14/39/59/330143959.db2.gz RMNBDZKICDBFOJ-UHFFFAOYSA-N 1 0 362.861 2.485 20 30 FEEDRO C[C@H]1[C@H]([NH2+]Cc2cnc3ccc(C#N)cn23)CC(=O)N1Cc1ccccc1 ZINC000367046815 330211087 /nfs/dbraw/zinc/21/10/87/330211087.db2.gz BXYKYAYJZMAPTE-HNAYVOBHSA-N 1 0 359.433 2.485 20 30 FEEDRO CC[C@](C)([NH2+]CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2)C(N)=O ZINC000411382662 330256504 /nfs/dbraw/zinc/25/65/04/330256504.db2.gz CSDMJBNVYLOCMO-ZMZPIMSZSA-N 1 0 362.499 2.317 20 30 FEEDRO N#Cc1ccc(C[NH2+]C[C@@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)o1 ZINC000433186238 330275679 /nfs/dbraw/zinc/27/56/79/330275679.db2.gz ILRMWXOWKNNPFM-MRXNPFEDSA-N 1 0 371.412 2.098 20 30 FEEDRO C[C@@]1(CNS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)CCC[NH2+]C1 ZINC000440865724 330278079 /nfs/dbraw/zinc/27/80/79/330278079.db2.gz YHIIZHDFHMZOGG-CQSZACIVSA-N 1 0 361.389 2.245 20 30 FEEDRO C=C(C[NH+](C)C)C(=O)N1CCCC[C@@H]1COC(=O)N1CCC[C@H](C)C1 ZINC000804664645 674296288 /nfs/dbraw/zinc/29/62/88/674296288.db2.gz OAUCBNRLXCQWOX-DOTOQJQBSA-N 1 0 351.491 2.354 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N(Cc2cccs2)[C@@H]2C=C[C@H](CO)C2)CC1 ZINC000805328488 674331078 /nfs/dbraw/zinc/33/10/78/674331078.db2.gz UUGDIRHECPSAIS-FUHWJXTLSA-N 1 0 358.507 2.359 20 30 FEEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]C[C@H](O)CS(=O)(=O)c1cccs1)CC2 ZINC000554991234 674344650 /nfs/dbraw/zinc/34/46/50/674344650.db2.gz SKTDFHQFQGZUOD-HOCLYGCPSA-N 1 0 362.476 2.031 20 30 FEEDRO COC[C@H](NC(=O)N(C)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1)C1CC1 ZINC000328625967 522535566 /nfs/dbraw/zinc/53/55/66/522535566.db2.gz LFZMKYQFTLMYOK-RYQLBKOJSA-N 1 0 363.506 2.074 20 30 FEEDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)Nc2ccc(F)c(C#N)c2)C1 ZINC000155540310 545540597 /nfs/dbraw/zinc/54/05/97/545540597.db2.gz CWUVVHXUAYIERF-CQSZACIVSA-N 1 0 360.433 2.120 20 30 FEEDRO CCN(CC)C(=O)CN1CCC[N@H+](CCCOc2cccc(C#N)c2)CC1 ZINC000155540701 545540152 /nfs/dbraw/zinc/54/01/52/545540152.db2.gz PSUFUIZQXXCEAQ-UHFFFAOYSA-N 1 0 372.513 2.203 20 30 FEEDRO N#Cc1ccc(NCC(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)nc1 ZINC000498076902 538806946 /nfs/dbraw/zinc/80/69/46/538806946.db2.gz VRTXNBMNDIJHCO-INIZCTEOSA-N 1 0 353.426 2.302 20 30 FEEDRO Cc1cccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)c1C#N ZINC000156664231 545644643 /nfs/dbraw/zinc/64/46/43/545644643.db2.gz PPQHKBWBXDVUOG-KRWDZBQOSA-N 1 0 357.479 2.318 20 30 FEEDRO CN(Cc1cn(CCC#N)nc1-c1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000157562443 545755268 /nfs/dbraw/zinc/75/52/68/545755268.db2.gz ZQAKLGPNCXQJDE-QGZVFWFLSA-N 1 0 358.467 2.083 20 30 FEEDRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1ccc(C#N)[nH]1 ZINC000159203933 545930638 /nfs/dbraw/zinc/93/06/38/545930638.db2.gz MIQBWXLEGDWWJU-UHFFFAOYSA-N 1 0 353.426 2.289 20 30 FEEDRO CS(=O)(=O)CC1(CNC(=[NH2+])Nc2ccccc2OC(F)(F)F)CC1 ZINC000160717239 546065508 /nfs/dbraw/zinc/06/55/08/546065508.db2.gz LORODTPDIZQLFR-UHFFFAOYSA-N 1 0 365.377 2.137 20 30 FEEDRO COc1ccccc1CNC(=[NH2+])NCc1cccc(CN2CCOCC2)c1 ZINC000170911844 546182048 /nfs/dbraw/zinc/18/20/48/546182048.db2.gz DCTQEUOWQLLIEI-UHFFFAOYSA-N 1 0 368.481 2.132 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)CCCNC(=O)NC2CCCCC2)CC1 ZINC000171720481 546220597 /nfs/dbraw/zinc/22/05/97/546220597.db2.gz KHKQRAOCMICZRN-UHFFFAOYSA-N 1 0 350.507 2.165 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)[C@@H]2CCCN(C(=O)Cc3ccccc3)C2)CC1 ZINC000171719014 546220884 /nfs/dbraw/zinc/22/08/84/546220884.db2.gz NIRNCRDWKQIIMX-LJQANCHMSA-N 1 0 369.509 2.234 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)[C@@H]2CC(=O)N(c3ccccc3Cl)C2)CC1 ZINC000171723164 546221527 /nfs/dbraw/zinc/22/15/27/546221527.db2.gz FTZASPHDLOSLJB-CQSZACIVSA-N 1 0 361.873 2.460 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)[C@H]2CCCN(C(=O)c3ccc(F)cc3)C2)CC1 ZINC000171722237 546221971 /nfs/dbraw/zinc/22/19/71/546221971.db2.gz OVOGKSWRTJVQKP-KRWDZBQOSA-N 1 0 373.472 2.445 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N(C)[C@@H]2CCCN(c3ccccc3)C2=O)CC1 ZINC000172151073 546237920 /nfs/dbraw/zinc/23/79/20/546237920.db2.gz GZILFAOGYJGWML-LJQANCHMSA-N 1 0 370.497 2.474 20 30 FEEDRO C=CC[C@H](CO)C[NH2+][C@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479403111 561189027 /nfs/dbraw/zinc/18/90/27/561189027.db2.gz XTBHRMVMSFCKGR-ZJUUUORDSA-N 1 0 367.298 2.476 20 30 FEEDRO N#CCCn1cc(C(=O)CN2CCC[C@@H](OCCO)C2)c2ccccc21 ZINC000172292791 546244807 /nfs/dbraw/zinc/24/48/07/546244807.db2.gz FYMIPUQFWKQKFE-MRXNPFEDSA-N 1 0 355.438 2.211 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@H]2CCCN(C(=O)c3ccncc3)C2)CC1 ZINC000173580538 546283397 /nfs/dbraw/zinc/28/33/97/546283397.db2.gz GFPRSPPPBIACGX-SFHVURJKSA-N 1 0 370.497 2.091 20 30 FEEDRO COCC[NH+]1CCC(N[C@@H](C)C(=O)N(CCC#N)c2ccccc2)CC1 ZINC000173644273 546284300 /nfs/dbraw/zinc/28/43/00/546284300.db2.gz MFVHCDSSALCVRQ-KRWDZBQOSA-N 1 0 358.486 2.022 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N2CCCC[C@@H]2CNC(=O)c2ccccc2)CC1 ZINC000173639973 546284339 /nfs/dbraw/zinc/28/43/39/546284339.db2.gz UXUHDVBYTTYIAZ-HXUWFJFHSA-N 1 0 367.493 2.143 20 30 FEEDRO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)C1 ZINC000173704165 546285216 /nfs/dbraw/zinc/28/52/16/546285216.db2.gz CFXHPHUFDDLVTI-KRWDZBQOSA-N 1 0 356.470 2.369 20 30 FEEDRO C#CCCCNC(=O)N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000174086911 546291861 /nfs/dbraw/zinc/29/18/61/546291861.db2.gz XNEDRLTXYOYTHW-LJQANCHMSA-N 1 0 369.513 2.039 20 30 FEEDRO CC(C)(CCC#N)C[NH2+][C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 ZINC000174384369 546295297 /nfs/dbraw/zinc/29/52/97/546295297.db2.gz ZMNODFOZBRLUHT-KRWDZBQOSA-N 1 0 372.517 2.202 20 30 FEEDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NS(=O)(=O)Cc1ccc(C#N)cc1F ZINC000480695019 561214690 /nfs/dbraw/zinc/21/46/90/561214690.db2.gz IQTANEQSSIIOLP-UONOGXRCSA-N 1 0 353.463 2.237 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cc(F)c(F)cc2Cl)CC1 ZINC000176866690 546498608 /nfs/dbraw/zinc/49/86/08/546498608.db2.gz PFZNEJBFVIUABY-UHFFFAOYSA-N 1 0 357.788 2.323 20 30 FEEDRO COc1cc(/C=C/C(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)ccc1OCC#N ZINC000177056181 546533019 /nfs/dbraw/zinc/53/30/19/546533019.db2.gz PBCHDOUFBMYINL-YIWFVGIGSA-N 1 0 355.438 2.352 20 30 FEEDRO CN(Cc1ccc(C#N)cc1Br)C1CC[NH+](CCO)CC1 ZINC000480711989 561214881 /nfs/dbraw/zinc/21/48/81/561214881.db2.gz BFDUJFMCRABOMP-UHFFFAOYSA-N 1 0 352.276 2.209 20 30 FEEDRO C=CCOc1ccc(C(=O)NCCN2CCC([NH+](C)C)CC2)cc1OC ZINC000177155877 546556810 /nfs/dbraw/zinc/55/68/10/546556810.db2.gz YSXMYKRFXXHKPQ-UHFFFAOYSA-N 1 0 361.486 2.016 20 30 FEEDRO CN(Cc1nc2ccccc2n1C)C[C@H](O)COc1ccc(C#N)cc1 ZINC000177194347 546567496 /nfs/dbraw/zinc/56/74/96/546567496.db2.gz QPSYDFSBEYPKOZ-INIZCTEOSA-N 1 0 350.422 2.317 20 30 FEEDRO CCN(C[C@@H](C)C#N)C(=O)CN(C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000177257384 546580349 /nfs/dbraw/zinc/58/03/49/546580349.db2.gz JFSYGMOBIDDMTE-SFHVURJKSA-N 1 0 371.529 2.028 20 30 FEEDRO N#CC1CCN(C(=O)C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)CC1 ZINC000177440136 546618483 /nfs/dbraw/zinc/61/84/83/546618483.db2.gz ZLGSDKJFAILWMZ-UHFFFAOYSA-N 1 0 354.454 2.026 20 30 FEEDRO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000177658978 546662288 /nfs/dbraw/zinc/66/22/88/546662288.db2.gz JXDUBKSMLQYWMR-WCQYABFASA-N 1 0 373.400 2.434 20 30 FEEDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)C1 ZINC000178027529 546724891 /nfs/dbraw/zinc/72/48/91/546724891.db2.gz QTWAWQHZEJXXSC-IAGOWNOFSA-N 1 0 356.470 2.415 20 30 FEEDRO N#CCCCCNC(=O)C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000178242804 546763406 /nfs/dbraw/zinc/76/34/06/546763406.db2.gz DBVBFBOJYLLONS-UHFFFAOYSA-N 1 0 372.469 2.300 20 30 FEEDRO CCC(CC)(CNC(=O)Cn1cnc(C#N)n1)[NH2+][C@H](C)c1ccccc1 ZINC000178579278 546815239 /nfs/dbraw/zinc/81/52/39/546815239.db2.gz DXNCMLVMZZKVFN-OAHLLOKOSA-N 1 0 354.458 2.176 20 30 FEEDRO N#CCC[C@H](NC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccccc1 ZINC000178794863 546849913 /nfs/dbraw/zinc/84/99/13/546849913.db2.gz OTYPKDZERRNAKG-HKUYNNGSSA-N 1 0 356.470 2.395 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N2CCOC[C@H]2C[C@@H](O)c2ccccc2)CC1 ZINC000178919205 546872720 /nfs/dbraw/zinc/87/27/20/546872720.db2.gz AHMXIKBTYASJLV-WOJBJXKFSA-N 1 0 373.497 2.171 20 30 FEEDRO N#Cc1ccc2ncc(C[NH2+]C[C@@H]3CC(=O)N(Cc4ccccc4)C3)n2c1 ZINC000179059403 546894169 /nfs/dbraw/zinc/89/41/69/546894169.db2.gz WLFMVNBOWDWWKA-SFHVURJKSA-N 1 0 359.433 2.344 20 30 FEEDRO N#Cc1ccccc1S(=O)(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000180197086 547066857 /nfs/dbraw/zinc/06/68/57/547066857.db2.gz BEFSPXJEOPJWHZ-UHFFFAOYSA-N 1 0 356.451 2.148 20 30 FEEDRO CN(C)C1(C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)CCOCC1 ZINC000180214015 547068896 /nfs/dbraw/zinc/06/88/96/547068896.db2.gz NQJYIHPWXVTVKY-UHFFFAOYSA-N 1 0 353.470 2.159 20 30 FEEDRO CN(C)CC[NH+]1CCC(CNC(=O)c2ccc(C3(C#N)CC3)cc2)CC1 ZINC000180398547 547100528 /nfs/dbraw/zinc/10/05/28/547100528.db2.gz VTENWNHJAZBFDV-UHFFFAOYSA-N 1 0 354.498 2.245 20 30 FEEDRO C=CCNC(=O)CNC(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000180545020 547128675 /nfs/dbraw/zinc/12/86/75/547128675.db2.gz VPFCCOFXGYFTIN-UHFFFAOYSA-N 1 0 358.486 2.164 20 30 FEEDRO N#Cc1cc(F)ccc1CN1C(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1=O ZINC000180742507 547170550 /nfs/dbraw/zinc/17/05/50/547170550.db2.gz LNQAQWDWTRKIPZ-KDURUIRLSA-N 1 0 363.392 2.314 20 30 FEEDRO C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(S(=O)(=O)NC)cc1 ZINC000181046295 547238659 /nfs/dbraw/zinc/23/86/59/547238659.db2.gz BFXLCLMKSUWTOQ-LSDHHAIUSA-N 1 0 367.515 2.058 20 30 FEEDRO CNC(=O)C[C@H]([NH2+]CC(=O)N(CCC#N)c1ccccc1)c1ccccc1 ZINC000483429012 561276966 /nfs/dbraw/zinc/27/69/66/561276966.db2.gz XPTVDKFZWHOTSK-IBGZPJMESA-N 1 0 364.449 2.400 20 30 FEEDRO CCN(CCC#N)C(=O)C[N@@H+]1CCC[C@@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000181286304 547286330 /nfs/dbraw/zinc/28/63/30/547286330.db2.gz NFFQOBQTQJQKAD-QGZVFWFLSA-N 1 0 366.469 2.413 20 30 FEEDRO C=CCn1c(SCCCN2CC[NH+](C)CC2)nnc1-c1ccncc1 ZINC000181306018 547291004 /nfs/dbraw/zinc/29/10/04/547291004.db2.gz LMQHCNFHKXUJAB-UHFFFAOYSA-N 1 0 358.515 2.256 20 30 FEEDRO C=CCCS(=O)(=O)N1CCN(Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000181403396 547307940 /nfs/dbraw/zinc/30/79/40/547307940.db2.gz VNXJOEXSJPZZMJ-UHFFFAOYSA-N 1 0 368.890 2.011 20 30 FEEDRO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@H](C)c1cccc(N2CCCC2=O)c1 ZINC000181411737 547310424 /nfs/dbraw/zinc/31/04/24/547310424.db2.gz KBWQUXQYRGEADD-JKSUJKDBSA-N 1 0 356.470 2.472 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)NCc2ccc(N3CCOC3=O)cc2)CC1 ZINC000181886145 547398113 /nfs/dbraw/zinc/39/81/13/547398113.db2.gz CBQSCAATZXGRBY-UHFFFAOYSA-N 1 0 358.442 2.093 20 30 FEEDRO COc1ccc([C@@H](CCO)[NH2+]C[C@@H](O)COc2ccc(C#N)cc2)cc1 ZINC000182405613 547487741 /nfs/dbraw/zinc/48/77/41/547487741.db2.gz YTHVYVWNBFIWIU-YLJYHZDGSA-N 1 0 356.422 2.020 20 30 FEEDRO COC(=O)CCn1nc(C)c(C[NH2+]CCOc2ccc(C#N)cc2)c1C ZINC000182480907 547501491 /nfs/dbraw/zinc/50/14/91/547501491.db2.gz YLMRVWGMPIIPRG-UHFFFAOYSA-N 1 0 356.426 2.103 20 30 FEEDRO CC(C)[C@H](Oc1ccccc1C#N)C(=O)N[C@H](C)CC[NH+]1CCN(C)CC1 ZINC000184328819 547808166 /nfs/dbraw/zinc/80/81/66/547808166.db2.gz NABUWOTYGRSEFG-XLIONFOSSA-N 1 0 372.513 2.104 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N[C@@H](C(=O)OCC)c2cccc(C)c2C)CC1 ZINC000184437937 547826452 /nfs/dbraw/zinc/82/64/52/547826452.db2.gz XFBBYDFNVMTNHL-LJQANCHMSA-N 1 0 356.466 2.369 20 30 FEEDRO CC(C)OC(=O)C[C@@H]1CCC[N@H+](C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000184498931 547837662 /nfs/dbraw/zinc/83/76/62/547837662.db2.gz SLVIATURDDFWHL-ROUUACIJSA-N 1 0 360.454 2.352 20 30 FEEDRO C#CCCOc1ccc(C[NH+]2CCC(n3cc(C(=O)OC)nn3)CC2)cc1 ZINC000184758516 547875463 /nfs/dbraw/zinc/87/54/63/547875463.db2.gz YQRSAVAQUDAIHL-UHFFFAOYSA-N 1 0 368.437 2.304 20 30 FEEDRO CN(CCC#N)C(=O)CC[N@H+](CCO)Cc1ccc(Br)s1 ZINC000485127812 561313408 /nfs/dbraw/zinc/31/34/08/561313408.db2.gz MTGQHFGJMOQBCH-UHFFFAOYSA-N 1 0 374.304 2.067 20 30 FEEDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2S(=O)(=O)c2cc(C#N)ccc2Cl)C1 ZINC000185281698 547964466 /nfs/dbraw/zinc/96/44/66/547964466.db2.gz WNVNJCFBSOWCFC-UKRRQHHQSA-N 1 0 353.875 2.316 20 30 FEEDRO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH2+]CCC(=O)N(C)CCC#N ZINC000185644327 548013347 /nfs/dbraw/zinc/01/33/47/548013347.db2.gz MAVOMIYOWRPDHD-LLVKDONJSA-N 1 0 359.396 2.475 20 30 FEEDRO C=CC[C@@H](CO)NC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000185785775 548035903 /nfs/dbraw/zinc/03/59/03/548035903.db2.gz GBFOIELMAAWQBU-DOTOQJQBSA-N 1 0 356.388 2.494 20 30 FEEDRO C=CCNC(=O)Nc1ccc(NC(=O)c2cc([C@H]3CC[NH2+]C3)[nH]n2)cc1 ZINC000485781074 561327896 /nfs/dbraw/zinc/32/78/96/561327896.db2.gz HFUXQKZGEAAWBW-LBPRGKRZSA-N 1 0 354.414 2.046 20 30 FEEDRO COc1ccc(F)cc1CNC(=[NH2+])NCCc1ccc(OC)c(OC)c1 ZINC000186864664 548208262 /nfs/dbraw/zinc/20/82/62/548208262.db2.gz XXNGIMKUAYEVNI-UHFFFAOYSA-N 1 0 361.417 2.499 20 30 FEEDRO C=CCOc1ccc(C(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)cc1OC ZINC000186948858 548226101 /nfs/dbraw/zinc/22/61/01/548226101.db2.gz AMURBCVPAVLKEW-OAHLLOKOSA-N 1 0 362.470 2.177 20 30 FEEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@H]1C[NH2+]CCO1 ZINC000187600409 548259938 /nfs/dbraw/zinc/25/99/38/548259938.db2.gz NSKJQRXWYUYXFK-CQSZACIVSA-N 1 0 357.223 2.091 20 30 FEEDRO CCN(C[C@@H](C)C#N)C(=O)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000189133677 548295440 /nfs/dbraw/zinc/29/54/40/548295440.db2.gz XGLYKDZNFOTHPS-INIZCTEOSA-N 1 0 356.470 2.272 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(N3CCOCC3)cn2)CC1 ZINC000190873818 548335949 /nfs/dbraw/zinc/33/59/49/548335949.db2.gz AHPYPOMODGDTPC-UHFFFAOYSA-N 1 0 359.474 2.080 20 30 FEEDRO C=CCN(CCOC)Cc1cc(OCC)n2nc(C(F)(F)F)nc2n1 ZINC000191130922 548340244 /nfs/dbraw/zinc/34/02/44/548340244.db2.gz CVSHRAIBPOGREZ-UHFFFAOYSA-N 1 0 359.352 2.176 20 30 FEEDRO C[C@@H]1CC(O)C[C@@H](C)[NH+]1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000191193637 548341228 /nfs/dbraw/zinc/34/12/28/548341228.db2.gz XGEXNYYSIBUENM-ZIAGYGMSSA-N 1 0 368.399 2.407 20 30 FEEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000192066472 548356857 /nfs/dbraw/zinc/35/68/57/548356857.db2.gz SWXZTGPKMGYMDO-KCPJHIHWSA-N 1 0 351.834 2.160 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)Nc2nnn(Cc3ccccc3F)c2C)CC1 ZINC000192381250 548363489 /nfs/dbraw/zinc/36/34/89/548363489.db2.gz KHZJBHQXVPUHOT-UHFFFAOYSA-N 1 0 355.417 2.058 20 30 FEEDRO COC(=O)[C@H]1C[C@H](O)CN1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000193129393 548379857 /nfs/dbraw/zinc/37/98/57/548379857.db2.gz WLDVYCWWSFDEBK-VQTJNVASSA-N 1 0 364.445 2.495 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cc(N3C[C@@H](C)O[C@@H](C)C3)ccn2)CC1 ZINC000194608642 548504819 /nfs/dbraw/zinc/50/48/19/548504819.db2.gz PVGOFUYTRUIBCZ-CALCHBBNSA-N 1 0 372.513 2.466 20 30 FEEDRO C=CCN1C(=S)N=NC1c1sc(NC(=O)[C@H]2CC[C@H]([NH3+])C2)nc1C ZINC000237671620 548843723 /nfs/dbraw/zinc/84/37/23/548843723.db2.gz ZOBJSKPNVNYJHT-UWVGGRQHSA-N 1 0 364.500 2.251 20 30 FEEDRO Cc1cccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)c1C#N ZINC000245673634 548971415 /nfs/dbraw/zinc/97/14/15/548971415.db2.gz SRJWFWJACUOABS-MOPGFXCFSA-N 1 0 362.433 2.367 20 30 FEEDRO COC(=O)[C@H](c1cccc(C#N)c1)N1CC[C@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000245778937 548993809 /nfs/dbraw/zinc/99/38/09/548993809.db2.gz LXXGMNDSGURKJB-QRFRQXIXSA-N 1 0 367.449 2.248 20 30 FEEDRO C=CCN(C(=O)C[N@@H+](CC)C1CC1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000488212308 561386128 /nfs/dbraw/zinc/38/61/28/561386128.db2.gz BVULALUINSBGPF-HNNXBMFYSA-N 1 0 354.458 2.222 20 30 FEEDRO CCC[C@@H]1CN([C@H](C)C(=O)NC2(C#N)CCCCC2)CC[N@@H+]1CCOC ZINC000246060863 549043670 /nfs/dbraw/zinc/04/36/70/549043670.db2.gz YIGIKQKEZNGZFB-QZTJIDSGSA-N 1 0 364.534 2.150 20 30 FEEDRO N#Cc1cccc(CS(=O)(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000246209254 549078547 /nfs/dbraw/zinc/07/85/47/549078547.db2.gz AINWWYAXWFPUDS-PKOBYXMFSA-N 1 0 359.495 2.337 20 30 FEEDRO C[N@@H+](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)C[C@H]1CCC[C@H]1O ZINC000246551646 549159428 /nfs/dbraw/zinc/15/94/28/549159428.db2.gz LJPLQPYLDRWESM-NVXWUHKLSA-N 1 0 368.399 2.266 20 30 FEEDRO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000246674131 549186861 /nfs/dbraw/zinc/18/68/61/549186861.db2.gz LLRWGLOJBZNXCF-IEBWSBKVSA-N 1 0 356.470 2.159 20 30 FEEDRO CO[C@@H]1CC[C@H]2OCCN(Cc3nnc(-c4ccc(C#N)cc4)o3)[C@H]2C1 ZINC000246700749 549192035 /nfs/dbraw/zinc/19/20/35/549192035.db2.gz NCQKWIRBCQWUMR-IXDOHACOSA-N 1 0 354.410 2.377 20 30 FEEDRO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)N2CCN(c3ccccc3C#N)CC2)C1 ZINC000247356892 549323865 /nfs/dbraw/zinc/32/38/65/549323865.db2.gz OIABUYZZYPYFAX-SJLPKXTDSA-N 1 0 355.486 2.119 20 30 FEEDRO CC1([C@H]2CCC[N@@H+]([C@H]3CCN(c4ccc(C#N)cc4)C3=O)C2)OCCO1 ZINC000248458308 549443850 /nfs/dbraw/zinc/44/38/50/549443850.db2.gz MXAVHLDXSLWOJW-WMZOPIPTSA-N 1 0 355.438 2.139 20 30 FEEDRO Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N3CC[N@H+](C)[C@H](C(C)C)C3)C2)n1 ZINC000489401792 561410053 /nfs/dbraw/zinc/41/00/53/561410053.db2.gz YCVXBIFRAUWVHX-MOPGFXCFSA-N 1 0 369.513 2.277 20 30 FEEDRO C=C[C@@H]1CCCC[N@@H+]1CC(=O)NCc1ccccc1CN1CCOCC1 ZINC000489404244 561410185 /nfs/dbraw/zinc/41/01/85/561410185.db2.gz ONHBRQDDLYLWQF-HXUWFJFHSA-N 1 0 357.498 2.176 20 30 FEEDRO COC(=O)[C@@H](C)C[N@H+](C1CC1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000248775126 549500249 /nfs/dbraw/zinc/50/02/49/549500249.db2.gz UGDHXXAOTAQKMF-KSSFIOAISA-N 1 0 355.438 2.327 20 30 FEEDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NS(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000489636315 561416085 /nfs/dbraw/zinc/41/60/85/561416085.db2.gz RTHJEUXEYPSOMJ-IFXJQAMLSA-N 1 0 373.453 2.496 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)Nc2cccc(N3CCNC3=O)c2C)CC1 ZINC000489882056 561421307 /nfs/dbraw/zinc/42/13/07/561421307.db2.gz GYXWIOVKVUOFME-UHFFFAOYSA-N 1 0 357.458 2.297 20 30 FEEDRO COCC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)[C@@H]1CCOC1 ZINC000490064824 561425500 /nfs/dbraw/zinc/42/55/00/561425500.db2.gz VBGUJUNBBMDDJW-CYBMUJFWSA-N 1 0 363.483 2.174 20 30 FEEDRO CC[NH+]=C(NC[C@@H](C)c1c(C)noc1C)N1CCN(C(=O)C(C)C)CC1 ZINC000261883039 549766113 /nfs/dbraw/zinc/76/61/13/549766113.db2.gz PMNJLSTXHBJHDY-CQSZACIVSA-N 1 0 363.506 2.161 20 30 FEEDRO C/[NH+]=C(/NCc1cn2ccsc2n1)N1CC[C@H](Oc2ccccn2)C1 ZINC000262000627 549779016 /nfs/dbraw/zinc/77/90/16/549779016.db2.gz UHHYMLYOVGKKTJ-AWEZNQCLSA-N 1 0 356.455 2.020 20 30 FEEDRO C=CCNC(=[NH+]C[C@@H]1CCS(=O)(=O)C1)N1CC[C@@H](c2ccccc2)C1 ZINC000262382725 549815518 /nfs/dbraw/zinc/81/55/18/549815518.db2.gz KSLRATGLLUHKSD-FUHWJXTLSA-N 1 0 361.511 2.042 20 30 FEEDRO O=S1(=O)CC[C@H](CNC(NCc2ccoc2)=[NH+]C2CCCCC2)C1 ZINC000262429761 549819519 /nfs/dbraw/zinc/81/95/19/549819519.db2.gz SFZZNADMSLVVBY-OAHLLOKOSA-N 1 0 353.488 2.082 20 30 FEEDRO C[NH+]=C(NCc1nnc2n1CCC2)N1CC[C@H](CSc2ccccc2)C1 ZINC000262446088 549820653 /nfs/dbraw/zinc/82/06/53/549820653.db2.gz IRWWMCBFNREPNM-HNNXBMFYSA-N 1 0 370.526 2.414 20 30 FEEDRO C[NH+]=C(NCCc1cc(Cl)c2c(c1)OCCO2)N1CC[C@H](COC)C1 ZINC000262488695 549823967 /nfs/dbraw/zinc/82/39/67/549823967.db2.gz UBQIDUZMMOGFIH-AWEZNQCLSA-N 1 0 367.877 2.197 20 30 FEEDRO C=CCc1ccc(OCC(=O)N2CCC(OCCC[NH3+])CC2)c(OC)c1 ZINC000262598852 549831315 /nfs/dbraw/zinc/83/13/15/549831315.db2.gz MUOPKTMMPCKJBS-UHFFFAOYSA-N 1 0 362.470 2.159 20 30 FEEDRO CC[NH+]=C(NCc1cccc(-n2cncn2)c1)N[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000262747712 549845656 /nfs/dbraw/zinc/84/56/56/549845656.db2.gz AWOUDWOWQWGNHQ-KURKYZTESA-N 1 0 368.485 2.136 20 30 FEEDRO Cc1noc([C@@H]2CC[C@H](CNC(=[NH2+])N[C@@H]3CCOc4ccccc43)O2)n1 ZINC000262791263 549850347 /nfs/dbraw/zinc/85/03/47/549850347.db2.gz ODJPQTSFGDIZDZ-XPKDYRNWSA-N 1 0 357.414 2.026 20 30 FEEDRO C[NH+]=C(NCc1nnc2c(Cl)cc(C(F)(F)F)cn12)N[C@@H]1C[C@@H]1C ZINC000262813549 549852366 /nfs/dbraw/zinc/85/23/66/549852366.db2.gz OLWRXJJUIJNGOV-OIBJUYFYSA-N 1 0 360.771 2.475 20 30 FEEDRO CCCC(=O)NC[C@@H]1CCCN(CC(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000263741768 549929498 /nfs/dbraw/zinc/92/94/98/549929498.db2.gz OLBXXWVGFGFKLY-HNNXBMFYSA-N 1 0 360.458 2.335 20 30 FEEDRO COc1ccc([N+](=O)[O-])cc1CNC(=[NH2+])NCc1ccc(OC)c(OC)c1 ZINC000264079684 549976859 /nfs/dbraw/zinc/97/68/59/549976859.db2.gz GVSZIIDKJCFSNE-UHFFFAOYSA-N 1 0 374.397 2.225 20 30 FEEDRO COc1ccc(CCNC(=[NH2+])NCCc2ccc(NC(C)=O)cc2)cc1 ZINC000264118705 549981390 /nfs/dbraw/zinc/98/13/90/549981390.db2.gz UGMBRTQKGIHJKA-UHFFFAOYSA-N 1 0 354.454 2.343 20 30 FEEDRO CC[NH+](CC)CCN(CCOC)C(=O)NCc1ccc(OCC#N)cc1 ZINC000264260880 549993333 /nfs/dbraw/zinc/99/33/33/549993333.db2.gz DXLSBHLTGMCQMP-UHFFFAOYSA-N 1 0 362.474 2.089 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N2CCN(c3ccccc3C#N)CC2)CC1 ZINC000264328577 549994313 /nfs/dbraw/zinc/99/43/13/549994313.db2.gz DDTKTTMCZHSKJL-UHFFFAOYSA-N 1 0 353.470 2.040 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H](C)C(=O)NCc2ccccc2)CC1 ZINC000264369390 549995045 /nfs/dbraw/zinc/99/50/45/549995045.db2.gz ISENQJKIIRTVGI-MRXNPFEDSA-N 1 0 358.486 2.031 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)NCc2ccccc2Cn2ccnc2)CC1 ZINC000264372823 549995157 /nfs/dbraw/zinc/99/51/57/549995157.db2.gz GVSYJCYZTZKUKY-UHFFFAOYSA-N 1 0 353.470 2.381 20 30 FEEDRO COc1cc(CNC(=O)N2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@@H](C)C2)ccc1C#N ZINC000491124763 561443104 /nfs/dbraw/zinc/44/31/04/561443104.db2.gz WBTMEYBHUAWJOC-RVKKMQEKSA-N 1 0 356.470 2.439 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)Nc2ncn(Cc3ccc(Cl)cc3)n2)CC1 ZINC000267081449 550027096 /nfs/dbraw/zinc/02/70/96/550027096.db2.gz GMLJMCMLKFRXCL-UHFFFAOYSA-N 1 0 357.845 2.264 20 30 FEEDRO C#CCOc1ccccc1CNC(=[NH2+])NCc1ccc(OC)c(OC)c1 ZINC000267454608 550031869 /nfs/dbraw/zinc/03/18/69/550031869.db2.gz SPINHFJIPFIBRG-UHFFFAOYSA-N 1 0 353.422 2.320 20 30 FEEDRO COc1cc(OC)cc(OCCC[N@H+](C)[C@H](C)C(=O)N(C)CCC#N)c1 ZINC000267885344 550035370 /nfs/dbraw/zinc/03/53/70/550035370.db2.gz GFSUGVPREKXXTR-OAHLLOKOSA-N 1 0 363.458 2.165 20 30 FEEDRO C=CCc1ccc(OC[C@@H](O)C[N@H+]2CC[C@](C)(C(=O)OC)C2)c(OC)c1 ZINC000268333106 550051081 /nfs/dbraw/zinc/05/10/81/550051081.db2.gz JFYBZCPWKVGYAG-JXFKEZNVSA-N 1 0 363.454 2.048 20 30 FEEDRO Cc1ccsc1CNC(=O)CON=C(N)c1ccc(C[NH+](C)C)cc1 ZINC000268575876 550088995 /nfs/dbraw/zinc/08/89/95/550088995.db2.gz LFQYYPRAHSKOPB-UHFFFAOYSA-N 1 0 360.483 2.071 20 30 FEEDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000268809149 550118907 /nfs/dbraw/zinc/11/89/07/550118907.db2.gz STEZIJGSFUBSOT-IINYFYTJSA-N 1 0 373.400 2.338 20 30 FEEDRO C=CCOc1ccccc1CNC(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000269035244 550146716 /nfs/dbraw/zinc/14/67/16/550146716.db2.gz UNPJNRFLDBYWAC-RTBURBONSA-N 1 0 373.497 2.428 20 30 FEEDRO N#Cc1ccc(CNC(=O)CN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000269699959 550218359 /nfs/dbraw/zinc/21/83/59/550218359.db2.gz YCEJWVUBSYBOTQ-UYAOXDASSA-N 1 0 352.482 2.123 20 30 FEEDRO C[NH+]1CCN(Cc2ccc(CNC(=O)c3ccc(CC#N)cc3)cc2)CC1 ZINC000270244274 550255990 /nfs/dbraw/zinc/25/59/90/550255990.db2.gz LVFHBUAMCFLPAG-UHFFFAOYSA-N 1 0 362.477 2.430 20 30 FEEDRO C[NH+]1CCC([C@H]2CCN(C(=O)C(=O)Nc3ccc(C#N)cc3Cl)C2)CC1 ZINC000270254149 550256933 /nfs/dbraw/zinc/25/69/33/550256933.db2.gz QIYRRFBNNSJJQW-HNNXBMFYSA-N 1 0 374.872 2.340 20 30 FEEDRO Cc1nc(COc2cccc(C(=O)N(CCC#N)CCC[NH+](C)C)c2)no1 ZINC000270299692 550259876 /nfs/dbraw/zinc/25/98/76/550259876.db2.gz ROLJLYLVSLFLFN-UHFFFAOYSA-N 1 0 371.441 2.265 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCCC[C@@H]2CCC(=O)NC)CC1 ZINC000493787412 561458267 /nfs/dbraw/zinc/45/82/67/561458267.db2.gz MGUYDTLJOOPXSV-QGZVFWFLSA-N 1 0 350.507 2.117 20 30 FEEDRO C#CC[C@@H](NC(=O)CC[NH+]1CCN(c2ccccn2)CC1)c1ccccc1 ZINC000270417801 550270910 /nfs/dbraw/zinc/27/09/10/550270910.db2.gz FSQGKRKLAQLIPF-HXUWFJFHSA-N 1 0 362.477 2.475 20 30 FEEDRO CCC[N@H+](CCC(=O)N(C)CCC#N)CC(=O)Nc1ccccc1OC ZINC000270659753 550293935 /nfs/dbraw/zinc/29/39/35/550293935.db2.gz OMRAEGRHPYOPEK-UHFFFAOYSA-N 1 0 360.458 2.108 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCC(CCC(N)=O)CC1)C(C)C ZINC000271104532 550340891 /nfs/dbraw/zinc/34/08/91/550340891.db2.gz ZJGIRUOZEXDARA-SFHVURJKSA-N 1 0 364.534 2.372 20 30 FEEDRO C=CCOc1ccc(C[N@H+](C)C[C@H](O)COCCOC(C)C)cc1OC ZINC000271131080 550343195 /nfs/dbraw/zinc/34/31/95/550343195.db2.gz KBVMRIXCMHYZNJ-SFHVURJKSA-N 1 0 367.486 2.494 20 30 FEEDRO CN(C)c1ncc(C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)cn1 ZINC000271157310 550346066 /nfs/dbraw/zinc/34/60/66/550346066.db2.gz HNSDOOKTCYEKGI-UHFFFAOYSA-N 1 0 364.453 2.265 20 30 FEEDRO C=CCCC[N@@H+](C)Cc1ccc(OCC(=O)N2CCOCC2)c(OC)c1 ZINC000271165940 550347827 /nfs/dbraw/zinc/34/78/27/550347827.db2.gz CENHIQZTPMQYLO-UHFFFAOYSA-N 1 0 362.470 2.331 20 30 FEEDRO CN(CCC#N)C(=O)CC[NH+]1CCN(c2ccc3ccccc3n2)CC1 ZINC000271572032 550386378 /nfs/dbraw/zinc/38/63/78/550386378.db2.gz PXODPMLCBSUZOL-UHFFFAOYSA-N 1 0 351.454 2.119 20 30 FEEDRO C[C@H]1C[C@H](CNC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)CCO1 ZINC000271604384 550389281 /nfs/dbraw/zinc/38/92/81/550389281.db2.gz UYKLMCVMJKFATH-QFBILLFUSA-N 1 0 358.486 2.447 20 30 FEEDRO CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2)C1 ZINC000271694910 550395465 /nfs/dbraw/zinc/39/54/65/550395465.db2.gz SGUAZWNORCMETN-IIDMSEBBSA-N 1 0 357.454 2.399 20 30 FEEDRO CCN(CCC#N)C(=O)C[N@H+](Cc1ccc(OC)cc1)[C@H](CO)C(C)C ZINC000272333735 550438519 /nfs/dbraw/zinc/43/85/19/550438519.db2.gz XACLZBMIMTXXSI-LJQANCHMSA-N 1 0 361.486 2.276 20 30 FEEDRO C[N@@H+]1CC[C@@H]2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3C#N)[C@H]2C1 ZINC000272405829 550444469 /nfs/dbraw/zinc/44/44/69/550444469.db2.gz KPWKEPLLETVURK-RISCZKNCSA-N 1 0 373.400 2.292 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)CC1 ZINC000272479355 550451420 /nfs/dbraw/zinc/45/14/20/550451420.db2.gz GOEZTCKYOFYNNM-UHFFFAOYSA-N 1 0 361.427 2.370 20 30 FEEDRO C=CCS(=O)(=O)CC[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000272878403 550474897 /nfs/dbraw/zinc/47/48/97/550474897.db2.gz QDHGKCDCWXVDBF-GOEBONIOSA-N 1 0 352.456 2.496 20 30 FEEDRO C[C@@H](NC1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1nnc2n1CCC2 ZINC000273738076 550509931 /nfs/dbraw/zinc/50/99/31/550509931.db2.gz LKLXJDXDVVFAFX-OAHLLOKOSA-N 1 0 350.470 2.411 20 30 FEEDRO CS[C@@H]1CN(CC(=O)Nc2oc(C)c(C)c2C#N)C[C@@H]1[NH+]1CCCC1 ZINC000274147440 550524945 /nfs/dbraw/zinc/52/49/45/550524945.db2.gz XWVHLENJDBHVTD-JKSUJKDBSA-N 1 0 362.499 2.218 20 30 FEEDRO C#CCOc1ccccc1NC(=O)C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000274736765 550551177 /nfs/dbraw/zinc/55/11/77/550551177.db2.gz XOMHEJMCBIHUET-UHFFFAOYSA-N 1 0 369.465 2.114 20 30 FEEDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCC(=O)N(CCC#N)CCC#N ZINC000274856975 550559829 /nfs/dbraw/zinc/55/98/29/550559829.db2.gz SNZBKDXBQBEGQK-ICSRJNTNSA-N 1 0 367.497 2.143 20 30 FEEDRO CS[C@H]1CN(CC(=O)N(CCC#N)c2ccccc2)C[C@H]1[NH+]1CCCC1 ZINC000275102435 550570615 /nfs/dbraw/zinc/57/06/15/550570615.db2.gz QVLWLCNKXQHWGQ-MOPGFXCFSA-N 1 0 372.538 2.445 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CC[C@H](OCCOC)C1)C(C)C ZINC000275526302 550572478 /nfs/dbraw/zinc/57/24/78/550572478.db2.gz BEIGCDLPNBXAKL-ROUUACIJSA-N 1 0 353.507 2.132 20 30 FEEDRO N#CCCN(C(=O)C[N@@H+](CCO)C1CCOCC1)c1cccc(Cl)c1 ZINC000275472202 550572621 /nfs/dbraw/zinc/57/26/21/550572621.db2.gz CVCHFBKLJVQIBC-UHFFFAOYSA-N 1 0 365.861 2.060 20 30 FEEDRO C[C@H](CC#N)N(C)C(=O)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000275783738 550574344 /nfs/dbraw/zinc/57/43/44/550574344.db2.gz AVSYROZPICUYPZ-MRXNPFEDSA-N 1 0 356.470 2.414 20 30 FEEDRO C=CCC[N@@H+](C)CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000276530179 550579001 /nfs/dbraw/zinc/57/90/01/550579001.db2.gz ZSFZIRIDMYEYGC-UHFFFAOYSA-N 1 0 359.879 2.037 20 30 FEEDRO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCc3cc[nH]c(=O)c3C2)c(OC)c1 ZINC000277000853 550620189 /nfs/dbraw/zinc/62/01/89/550620189.db2.gz WHAZZLWTPRKAJT-QGZVFWFLSA-N 1 0 370.449 2.322 20 30 FEEDRO N#Cc1cc(Cl)ccc1S(=O)(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000277681989 550700864 /nfs/dbraw/zinc/70/08/64/550700864.db2.gz IQTDMMFJNPDJJK-UHFFFAOYSA-N 1 0 353.875 2.364 20 30 FEEDRO C=C[C@@H]1CCCCN1C(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000494907385 561478979 /nfs/dbraw/zinc/47/89/79/561478979.db2.gz IKCCQIKHPXKKMZ-GOSISDBHSA-N 1 0 358.486 2.228 20 30 FEEDRO CC[C@@H]([NH2+]CCS(=O)(=O)NC[C@@H]1CCCCO1)c1ccc(C#N)cc1 ZINC000278395802 550780676 /nfs/dbraw/zinc/78/06/76/550780676.db2.gz FDAQXAXCXYJCLT-ZWKOTPCHSA-N 1 0 365.499 2.087 20 30 FEEDRO C#CCn1ccc(CN(CC)C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)n1 ZINC000279166460 550860696 /nfs/dbraw/zinc/86/06/96/550860696.db2.gz FGFHGGRDFHQAOA-IBGZPJMESA-N 1 0 353.470 2.351 20 30 FEEDRO C[C@@H]1CN([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC2(CCOCC2)O1 ZINC000279695153 550917727 /nfs/dbraw/zinc/91/77/27/550917727.db2.gz GKUKUDWACFYTGD-APWZRJJASA-N 1 0 369.465 2.324 20 30 FEEDRO COC(=O)C[C@H](C)N1CCN(C(=O)c2ccc(C(C)(C)C#N)cc2)CC1 ZINC000279716042 550920372 /nfs/dbraw/zinc/92/03/72/550920372.db2.gz BFTLJKLZWVNNAI-HNNXBMFYSA-N 1 0 357.454 2.197 20 30 FEEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+](C)C2(CCO)CCOCC2)c1 ZINC000495453824 561488376 /nfs/dbraw/zinc/48/83/76/561488376.db2.gz GBPNTNWIFIHILG-UHFFFAOYSA-N 1 0 373.497 2.414 20 30 FEEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CN2C[C@H](O)C(C)(C)C2)c1C#N ZINC000279816708 550932142 /nfs/dbraw/zinc/93/21/42/550932142.db2.gz QFXFUUKSSRRMOX-KRWDZBQOSA-N 1 0 370.453 2.259 20 30 FEEDRO C[C@H](CO)[N@@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)CC1CCC1 ZINC000280344333 550983009 /nfs/dbraw/zinc/98/30/09/550983009.db2.gz IPASUJZRQPHJJE-OAHLLOKOSA-N 1 0 367.453 2.165 20 30 FEEDRO N#CCCn1cc(C[NH2+]C[C@@H](CO)[C@H]2CCOC2)c(-c2ccccc2)n1 ZINC000280389671 550988523 /nfs/dbraw/zinc/98/85/23/550988523.db2.gz WRNSJZHHHISPMY-HKUYNNGSSA-N 1 0 354.454 2.198 20 30 FEEDRO C[C@]1(C(N)=O)CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)C1 ZINC000280826290 551036438 /nfs/dbraw/zinc/03/64/38/551036438.db2.gz VLACOYURBUYNSP-SFHVURJKSA-N 1 0 360.483 2.024 20 30 FEEDRO C=CCN1CC[C@H]([N@@H+](C)C[C@@H](O)CO[C@H](C)c2ccc(Cl)cc2)C1=O ZINC000281195601 551072896 /nfs/dbraw/zinc/07/28/96/551072896.db2.gz CDIQMEVWKUJMNT-OLMNPRSZSA-N 1 0 366.889 2.497 20 30 FEEDRO CNC(=O)[C@@]1(C)CC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)C1 ZINC000281263543 551078992 /nfs/dbraw/zinc/07/89/92/551078992.db2.gz VOIJGMMUVZZECU-JXFKEZNVSA-N 1 0 356.470 2.088 20 30 FEEDRO C=CCN1CC[C@@H](N(C)C(=O)Nc2ccc(C)cc2OCC[NH+](C)C)C1=O ZINC000281358307 551088275 /nfs/dbraw/zinc/08/82/75/551088275.db2.gz LYPWWYVHUKMODH-QGZVFWFLSA-N 1 0 374.485 2.186 20 30 FEEDRO C=CCN1CC[C@@H]([N@H+](C)CCC(=O)N[C@@H]2CCCc3ccccc32)C1=O ZINC000281442967 551098325 /nfs/dbraw/zinc/09/83/25/551098325.db2.gz UBSRSRCHRCWFNH-RTBURBONSA-N 1 0 355.482 2.289 20 30 FEEDRO C=CC[C@H](CC)[NH2+]Cc1ccc(OCC(=O)N2CCOCC2)c(OC)c1 ZINC000281496013 551105341 /nfs/dbraw/zinc/10/53/41/551105341.db2.gz WJZSTECSEFLRSC-KRWDZBQOSA-N 1 0 362.470 2.377 20 30 FEEDRO C=CCn1c(C(=O)N2CCCC2)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC000282196679 551193307 /nfs/dbraw/zinc/19/33/07/551193307.db2.gz GTKXMIFGHLQZAE-UHFFFAOYSA-N 1 0 372.517 2.155 20 30 FEEDRO C=CCn1c(-c2ccccn2)nnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000282617524 551252500 /nfs/dbraw/zinc/25/25/00/551252500.db2.gz OAPPZQISQGYOEY-KRWDZBQOSA-N 1 0 368.485 2.075 20 30 FEEDRO CN1CCN(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)C[C@@H]1C#N ZINC000282895310 551282761 /nfs/dbraw/zinc/28/27/61/551282761.db2.gz XOXNMTOBTNPTPD-OALUTQOASA-N 1 0 369.513 2.136 20 30 FEEDRO C[C@@H](CC#N)N(C)S(=O)(=O)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000283037475 551301450 /nfs/dbraw/zinc/30/14/50/551301450.db2.gz QWVAJIQTYURMRV-IRXDYDNUSA-N 1 0 364.515 2.062 20 30 FEEDRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1cc(C#N)ccn1 ZINC000283609160 551396139 /nfs/dbraw/zinc/39/61/39/551396139.db2.gz YXMAJRNNNLYTRW-UHFFFAOYSA-N 1 0 365.437 2.356 20 30 FEEDRO C[C@H]1C[NH+](CC2CCN(c3cc(N)c([N+](=O)[O-])c(C#N)c3)CC2)C[C@H](C)O1 ZINC000283722911 551416254 /nfs/dbraw/zinc/41/62/54/551416254.db2.gz GNYSSJXQDYZIPI-KBPBESRZSA-N 1 0 373.457 2.374 20 30 FEEDRO CCOC(=O)c1cnn(C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)c1C#N ZINC000283791619 551428051 /nfs/dbraw/zinc/42/80/51/551428051.db2.gz FVYSNWKZUMSERY-KRWDZBQOSA-N 1 0 368.437 2.223 20 30 FEEDRO C[C@@H](NC(=O)C(=O)NCCCC[N@@H+]1CCC[C@H](C)C1)c1ccc(C#N)cc1 ZINC000283974802 551460526 /nfs/dbraw/zinc/46/05/26/551460526.db2.gz LRVXGGWHSDZICE-DLBZAZTESA-N 1 0 370.497 2.364 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N(C)[C@H](C)c1ccccn1)C(C)C ZINC000284097570 551483237 /nfs/dbraw/zinc/48/32/37/551483237.db2.gz PKHFVBURNUQLDS-IEBWSBKVSA-N 1 0 372.513 2.416 20 30 FEEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000284117402 551486903 /nfs/dbraw/zinc/48/69/03/551486903.db2.gz CPUOVDRCZGVCTH-MOPGFXCFSA-N 1 0 368.481 2.040 20 30 FEEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)NCC[N@@H+](C)C1CC1 ZINC000284402169 551541701 /nfs/dbraw/zinc/54/17/01/551541701.db2.gz AYFSAMAOAOMINC-UHFFFAOYSA-N 1 0 355.891 2.127 20 30 FEEDRO C=CC[C@H](CO)CNC(=O)N[C@H]1CC[N@H+](C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000498531161 561527210 /nfs/dbraw/zinc/52/72/10/561527210.db2.gz ZPGXDAKKACBOHA-RYGJVYDSSA-N 1 0 373.497 2.457 20 30 FEEDRO CC[NH+](CC)CCOC(=O)c1cccc(NC(=O)C2(C#N)CCOCC2)c1 ZINC000284884199 551658491 /nfs/dbraw/zinc/65/84/91/551658491.db2.gz MNPBXJJNAFNWGB-UHFFFAOYSA-N 1 0 373.453 2.444 20 30 FEEDRO CC[N@@H+]1C[C@H](C)N(C(=O)CCc2c(C)nc3c(C#N)cnn3c2C)C[C@H]1C ZINC000498584264 561529566 /nfs/dbraw/zinc/52/95/66/561529566.db2.gz QITQNYSJYKTOQG-KGLIPLIRSA-N 1 0 368.485 2.092 20 30 FEEDRO CCc1ccc([C@@H](O)CNC(=[NH2+])NCc2ccc(OC)c(OC)c2)cc1 ZINC000285096995 551703999 /nfs/dbraw/zinc/70/39/99/551703999.db2.gz OHJRTFJUQUPIMK-KRWDZBQOSA-N 1 0 357.454 2.404 20 30 FEEDRO Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+]CCn1cnc(C#N)n1 ZINC000285537337 551771399 /nfs/dbraw/zinc/77/13/99/551771399.db2.gz POIAZDBMBZQQOR-UHFFFAOYSA-N 1 0 369.860 2.455 20 30 FEEDRO C[C@H]([NH2+][C@@H]1CCCN(S(=O)(=O)C2CC2)C1)c1ccc(C#N)c(F)c1 ZINC000285550150 551773388 /nfs/dbraw/zinc/77/33/88/551773388.db2.gz DWPNOKKENVYDPD-SWLSCSKDSA-N 1 0 351.447 2.305 20 30 FEEDRO Cc1oc(C#N)cc1C(=O)N(C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000286022704 551839713 /nfs/dbraw/zinc/83/97/13/551839713.db2.gz FXPSKKYABKYBDH-UHFFFAOYSA-N 1 0 366.465 2.350 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)C(C)(C)c2ccccc2)CC1 ZINC000286156958 551855208 /nfs/dbraw/zinc/85/52/08/551855208.db2.gz AXFFLUPONONVCH-INIZCTEOSA-N 1 0 357.498 2.236 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(C)Cc2ccc(F)c(F)c2)CC1 ZINC000286320588 551873861 /nfs/dbraw/zinc/87/38/61/551873861.db2.gz AASWJSNCVFMDGS-UHFFFAOYSA-N 1 0 365.424 2.080 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N(CC)Cc2cccc(Cl)c2)CC1 ZINC000286487513 551891632 /nfs/dbraw/zinc/89/16/32/551891632.db2.gz JPVKVZFFQHORJO-UHFFFAOYSA-N 1 0 363.889 2.455 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2c3ccccc3CC[C@H]2C)CC1 ZINC000286614043 551906137 /nfs/dbraw/zinc/90/61/37/551906137.db2.gz LMCMXRNHFCGUOJ-DNVCBOLYSA-N 1 0 355.482 2.193 20 30 FEEDRO C=CCN(CC=C)C(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000286716064 551918089 /nfs/dbraw/zinc/91/80/89/551918089.db2.gz PHXRNAOXLCCGFX-PKOBYXMFSA-N 1 0 355.482 2.356 20 30 FEEDRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)C(=O)NCCCCC#N ZINC000286744894 551921261 /nfs/dbraw/zinc/92/12/61/551921261.db2.gz NXEWDQRAVZLFKI-IRXDYDNUSA-N 1 0 370.497 2.069 20 30 FEEDRO C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)c3cc(C#N)ccn3)cc2)C[C@H](C)O1 ZINC000287125485 551966886 /nfs/dbraw/zinc/96/68/86/551966886.db2.gz KUZRKDFSEXMKLJ-IYBDPMFKSA-N 1 0 364.449 2.492 20 30 FEEDRO N#Cc1ccc(NC(=O)NCC[N@@H+]2CCCOCC2)cc1Br ZINC000287206976 551975989 /nfs/dbraw/zinc/97/59/89/551975989.db2.gz METCIHDDUHZCLM-UHFFFAOYSA-N 1 0 367.247 2.165 20 30 FEEDRO C=CCN(C)C(=O)C(=O)NCCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000287274411 551983847 /nfs/dbraw/zinc/98/38/47/551983847.db2.gz SPPNMZJFENTUSE-UHFFFAOYSA-N 1 0 371.525 2.482 20 30 FEEDRO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC[C@H](C(=O)N2CCCC2)C1 ZINC000287344733 551992192 /nfs/dbraw/zinc/99/21/92/551992192.db2.gz LDKGYSZALMEFNQ-ROUUACIJSA-N 1 0 368.481 2.266 20 30 FEEDRO C#Cc1cccc(NC(=O)C(=O)N(C)CCC[N@H+](C)Cc2ccco2)c1 ZINC000288405559 552148189 /nfs/dbraw/zinc/14/81/89/552148189.db2.gz LFDBOKRTLLRQOB-UHFFFAOYSA-N 1 0 353.422 2.180 20 30 FEEDRO CC[N@@H+]1CCN(C(=O)CCC(=O)N(CCC#N)c2ccccc2)[C@@H](C)C1 ZINC000288519591 552167886 /nfs/dbraw/zinc/16/78/86/552167886.db2.gz REERNKCYCHIJAA-KRWDZBQOSA-N 1 0 356.470 2.266 20 30 FEEDRO COCCOCCN(C)CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000288548763 552173045 /nfs/dbraw/zinc/17/30/45/552173045.db2.gz AOSWWGFNKKVOPL-UHFFFAOYSA-N 1 0 353.850 2.181 20 30 FEEDRO C[C@H]1C[C@@H](CO)CC[N@@H+]1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000288585633 552179490 /nfs/dbraw/zinc/17/94/90/552179490.db2.gz CQULISIIRAIISF-HOCLYGCPSA-N 1 0 368.399 2.266 20 30 FEEDRO C=CCN1CC[C@H]([N@H+](C)C[C@@H](O)Cc2ccccc2C(F)(F)F)C1=O ZINC000500015349 561564154 /nfs/dbraw/zinc/56/41/54/561564154.db2.gz PHMBULARWRWZDF-HOCLYGCPSA-N 1 0 356.388 2.328 20 30 FEEDRO C=CCN1CC[C@H]([N@H+](C)C[C@H](O)Cc2ccccc2C(F)(F)F)C1=O ZINC000500015350 561564210 /nfs/dbraw/zinc/56/42/10/561564210.db2.gz PHMBULARWRWZDF-ZBFHGGJFSA-N 1 0 356.388 2.328 20 30 FEEDRO C#CCCOc1ccc(C[N@H+]2CCC[C@@H](CN(C)S(C)(=O)=O)C2)cc1 ZINC000289313619 552299861 /nfs/dbraw/zinc/29/98/61/552299861.db2.gz FAQDVQSTUCAVKY-SFHVURJKSA-N 1 0 364.511 2.192 20 30 FEEDRO CC(C)N(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1 ZINC000289529643 552336022 /nfs/dbraw/zinc/33/60/22/552336022.db2.gz HPGSMOBTHRMMMT-INIZCTEOSA-N 1 0 368.481 2.062 20 30 FEEDRO C=CCn1c(-c2ccc(C)o2)nnc1N1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000289662495 552358088 /nfs/dbraw/zinc/35/80/88/552358088.db2.gz MJCJLYASKDLDBA-KRWDZBQOSA-N 1 0 370.501 2.249 20 30 FEEDRO C=CCn1c(Cn2nc(C)cc2C)nnc1N(C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000289724486 552368232 /nfs/dbraw/zinc/36/82/32/552368232.db2.gz PQLFHMWZOCPYAR-MAUKXSAKSA-N 1 0 371.533 2.492 20 30 FEEDRO C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1c1ccccc1 ZINC000289762820 552374575 /nfs/dbraw/zinc/37/45/75/552374575.db2.gz KVHHYBDEKLHGRD-DLBZAZTESA-N 1 0 359.470 2.281 20 30 FEEDRO C=C(C)[C@H]1OCC[C@H]1c1nc(-c2cc(N3CC[NH+](C)CC3)ccn2)no1 ZINC000289993706 552410775 /nfs/dbraw/zinc/41/07/75/552410775.db2.gz FGDOXCOWMCIIMK-NVXWUHKLSA-N 1 0 355.442 2.332 20 30 FEEDRO CCCN(CC[NH+]1CCCCCC1)S(=O)(=O)c1cncc(C#N)c1 ZINC000290100794 552427531 /nfs/dbraw/zinc/42/75/31/552427531.db2.gz IQFNEVAJGJGSDK-UHFFFAOYSA-N 1 0 350.488 2.230 20 30 FEEDRO CC[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)c1ccc(OC)cc1 ZINC000290125094 552430915 /nfs/dbraw/zinc/43/09/15/552430915.db2.gz ZDXQBOLFPNHLMK-QGZVFWFLSA-N 1 0 359.451 2.476 20 30 FEEDRO C#Cc1ccc(C[NH2+]CC2CCN(S(=O)(=O)C(F)(F)F)CC2)cc1 ZINC000290453622 552481103 /nfs/dbraw/zinc/48/11/03/552481103.db2.gz SYPMKEXVSSIPMT-UHFFFAOYSA-N 1 0 360.401 2.319 20 30 FEEDRO COc1ccc(CNC(=[NH2+])NC[C@@]2(CO)C[C@H]2c2ccccc2)cc1OC ZINC000290518204 552492013 /nfs/dbraw/zinc/49/20/13/552492013.db2.gz JBUZFFNBUMJOSZ-LAUBAEHRSA-N 1 0 369.465 2.274 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cc(C)n(C3CCCCC3)n2)CC1 ZINC000290891793 552556807 /nfs/dbraw/zinc/55/68/07/552556807.db2.gz UXJSBIWROAHUMV-UHFFFAOYSA-N 1 0 373.501 2.402 20 30 FEEDRO C[NH+]1CCC(N(c2ccccc2)S(=O)(=O)c2cncc(C#N)c2)CC1 ZINC000290907462 552559728 /nfs/dbraw/zinc/55/97/28/552559728.db2.gz GJDNWWXWXOFBMM-UHFFFAOYSA-N 1 0 356.451 2.243 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H](C)c2noc(COCC)n2)CC1 ZINC000291001366 552574721 /nfs/dbraw/zinc/57/47/21/552574721.db2.gz LYPZMDQYGOIOEO-CYBMUJFWSA-N 1 0 351.451 2.007 20 30 FEEDRO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCC(F)(F)[C@@H](CO)C2)c(OC)c1 ZINC000291777284 552660645 /nfs/dbraw/zinc/66/06/45/552660645.db2.gz MADLDYICQQIURR-HZPDHXFCSA-N 1 0 371.424 2.113 20 30 FEEDRO C[C@@H](c1ccccc1)[C@@H]([NH2+]CCC(=O)Nc1ccc(C#N)cc1)C(N)=O ZINC000292046157 552688141 /nfs/dbraw/zinc/68/81/41/552688141.db2.gz AVMCENFWQDFFMT-IFXJQAMLSA-N 1 0 350.422 2.134 20 30 FEEDRO C[C@H]1CN(S(=O)(=O)c2ccc(F)c(C#N)c2)CC[N@@H+](C2CCC2)C1 ZINC000292074604 552691117 /nfs/dbraw/zinc/69/11/17/552691117.db2.gz QGCKXKMCKMVXMS-CYBMUJFWSA-N 1 0 351.447 2.192 20 30 FEEDRO COc1ccc(NC(=O)CC[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1 ZINC000292239400 552707518 /nfs/dbraw/zinc/70/75/18/552707518.db2.gz QEOSRUHFEUKQBH-GOSISDBHSA-N 1 0 366.421 2.444 20 30 FEEDRO N#CCCN(CCC#N)C(=O)CN1CC[C@@H](Oc2ccc(Cl)cc2)C1 ZINC000293094393 552788326 /nfs/dbraw/zinc/78/83/26/552788326.db2.gz PRRBMCHHRPFBIV-QGZVFWFLSA-N 1 0 360.845 2.449 20 30 FEEDRO C=CCN(CCC#N)C(=O)C(=O)Nc1ccccc1OCC[NH+](CC)CC ZINC000293165072 552795003 /nfs/dbraw/zinc/79/50/03/552795003.db2.gz LUYJBDJULHCSMX-UHFFFAOYSA-N 1 0 372.469 2.274 20 30 FEEDRO C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc2ccn(CCC)c2c1 ZINC000293255691 552804040 /nfs/dbraw/zinc/80/40/40/552804040.db2.gz DRVQWOFUWWKCFY-UHFFFAOYSA-N 1 0 354.454 2.061 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(CCC(F)(F)F)cc1 ZINC000293302338 552809425 /nfs/dbraw/zinc/80/94/25/552809425.db2.gz HPBIXHNJMGLLOQ-UHFFFAOYSA-N 1 0 369.387 2.191 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cccc(N2CCCCCC2)c1 ZINC000293467696 552826698 /nfs/dbraw/zinc/82/66/98/552826698.db2.gz UQTJYZUEZIIISY-UHFFFAOYSA-N 1 0 370.497 2.077 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)[C@H]1CCCN1c1ncnc2sc(C)cc21 ZINC000294075484 552879881 /nfs/dbraw/zinc/87/98/81/552879881.db2.gz WEYFVSPLLLPCJX-MRXNPFEDSA-N 1 0 371.510 2.040 20 30 FEEDRO C#CCO[C@@H](C)C(=O)N[C@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1 ZINC000294556847 552915600 /nfs/dbraw/zinc/91/56/00/552915600.db2.gz NAFOFTLKZQJPAX-CVEARBPZSA-N 1 0 361.461 2.183 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1ccn(CCc2ccccc2)n1 ZINC000294833020 552937440 /nfs/dbraw/zinc/93/74/40/552937440.db2.gz XNQRBIOYNYYLLG-UHFFFAOYSA-N 1 0 353.470 2.433 20 30 FEEDRO C=CCOc1ccc(CC(=O)NCc2ccnc(OCC[NH+](C)C)c2)cc1 ZINC000295441235 553007384 /nfs/dbraw/zinc/00/73/84/553007384.db2.gz GLJPITDGVJLALK-UHFFFAOYSA-N 1 0 369.465 2.446 20 30 FEEDRO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(C#N)cc2Cl)CC[N@@H+](C2CC2)C1 ZINC000296406951 553154620 /nfs/dbraw/zinc/15/46/20/553154620.db2.gz YLGBDFHSLZZPLU-LBPRGKRZSA-N 1 0 360.845 2.093 20 30 FEEDRO N#CC[C@@H]1CC[C@H](NC(=O)C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)C1 ZINC000296612709 553187325 /nfs/dbraw/zinc/18/73/25/553187325.db2.gz WMDIBVOUPSQOMR-HKUYNNGSSA-N 1 0 368.481 2.462 20 30 FEEDRO C#Cc1ccc(CNC(=O)NCc2ccnc(OCC[NH+](C)C)c2)cc1 ZINC000296615650 553188042 /nfs/dbraw/zinc/18/80/42/553188042.db2.gz XNCXGCXUJUABPY-UHFFFAOYSA-N 1 0 352.438 2.003 20 30 FEEDRO C#CC[N@@H+](C)CCCNC(=O)N1CCC(OCc2ccccc2OC)CC1 ZINC000296777455 553210042 /nfs/dbraw/zinc/21/00/42/553210042.db2.gz GRSVYDFPCXXXRN-UHFFFAOYSA-N 1 0 373.497 2.341 20 30 FEEDRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000502850948 561627688 /nfs/dbraw/zinc/62/76/88/561627688.db2.gz BVDVNESQKZGLJX-IAGOWNOFSA-N 1 0 356.470 2.054 20 30 FEEDRO C#Cc1ccc(CNC(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000297037474 553245145 /nfs/dbraw/zinc/24/51/45/553245145.db2.gz XBKRSOBDINVIGD-UXHICEINSA-N 1 0 355.482 2.235 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)N1CCC(O)(c2ccccc2Cl)CC1 ZINC000297200148 553262960 /nfs/dbraw/zinc/26/29/60/553262960.db2.gz CTIHFWHTSKYOBA-UHFFFAOYSA-N 1 0 363.889 2.288 20 30 FEEDRO C=CCCO[C@H](C)C(=O)N1CC[C@H](c2ccc(OC)c(F)c2)[C@@H]([NH3+])C1 ZINC000297228190 553266410 /nfs/dbraw/zinc/26/64/10/553266410.db2.gz OOLUTDNLWZOLOZ-UNEWFSDZSA-N 1 0 350.434 2.459 20 30 FEEDRO COc1ccncc1CNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000297295349 553274920 /nfs/dbraw/zinc/27/49/20/553274920.db2.gz KGDDEDQPLHRAKZ-UHFFFAOYSA-N 1 0 367.453 2.235 20 30 FEEDRO C[C@@H](CNC(=O)C(=O)Nc1scc(C(C)(C)C)c1C#N)[NH+]1CCCC1 ZINC000555822359 674377634 /nfs/dbraw/zinc/37/76/34/674377634.db2.gz VSLNFXNUKQDPGU-LBPRGKRZSA-N 1 0 362.499 2.456 20 30 FEEDRO C[C@H](c1ccccc1)[C@H]([NH2+]CCC(=O)Nc1ccccc1C#N)C(N)=O ZINC000298404889 553421654 /nfs/dbraw/zinc/42/16/54/553421654.db2.gz OUYJVHBDVNLQIU-KUHUBIRLSA-N 1 0 350.422 2.134 20 30 FEEDRO CC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2)[C@@H]1CCNC1=O ZINC000298419098 553423009 /nfs/dbraw/zinc/42/30/09/553423009.db2.gz FUMPNMLYFFAJSL-IUODEOHRSA-N 1 0 374.510 2.284 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1cccc(OCC(N)=O)c1)C(C)C ZINC000298477885 553429540 /nfs/dbraw/zinc/42/95/40/553429540.db2.gz FGJUXWMBWZCKLX-SFHVURJKSA-N 1 0 374.485 2.371 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)Nc1sccc1C#N)C(C)C ZINC000298707465 553461404 /nfs/dbraw/zinc/46/14/04/553461404.db2.gz VJNMXOMYQDOQDZ-OAHLLOKOSA-N 1 0 360.483 2.373 20 30 FEEDRO CC[N@H+](CCNC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)C(C)C ZINC000503913443 561649789 /nfs/dbraw/zinc/64/97/89/561649789.db2.gz VJKKIAXBSZSHFI-GOSISDBHSA-N 1 0 371.485 2.083 20 30 FEEDRO C[NH+](C)CCOc1ccccc1CNC(=O)COc1ccc(C#N)cc1 ZINC000299401989 553558597 /nfs/dbraw/zinc/55/85/97/553558597.db2.gz XYCJWHYKMAITKM-UHFFFAOYSA-N 1 0 353.422 2.194 20 30 FEEDRO C[NH+](C)C1CCN(CCNc2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000301553701 553660068 /nfs/dbraw/zinc/66/00/68/553660068.db2.gz RRGXOMXUPMCYRG-UHFFFAOYSA-N 1 0 368.441 2.453 20 30 FEEDRO CCc1nnc(NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c(C#N)c1CC ZINC000301625126 553666596 /nfs/dbraw/zinc/66/65/96/553666596.db2.gz POWWMNGGSUTJAQ-QGZVFWFLSA-N 1 0 365.481 2.304 20 30 FEEDRO CC[NH+]1CCN(c2ccc(CNc3nc4ccccn4c3C#N)cn2)CC1 ZINC000302108479 553704608 /nfs/dbraw/zinc/70/46/08/553704608.db2.gz SQBFNQFKRYDYMO-UHFFFAOYSA-N 1 0 361.453 2.355 20 30 FEEDRO COCc1ccccc1NC(=[NH2+])NCc1cn(-c2ccc(OC)cc2)nn1 ZINC000305074777 553748492 /nfs/dbraw/zinc/74/84/92/553748492.db2.gz UYHHHNVBBPGSSW-UHFFFAOYSA-N 1 0 366.425 2.349 20 30 FEEDRO C=CCCc1ccccc1NC(=O)C(=O)NCC1(O)CC[NH+](C(C)C)CC1 ZINC000505592752 561674805 /nfs/dbraw/zinc/67/48/05/561674805.db2.gz HKTDGSRPWCWHPR-UHFFFAOYSA-N 1 0 373.497 2.095 20 30 FEEDRO O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)NCC1(N2CCOCC2)CC1 ZINC000328597945 553794729 /nfs/dbraw/zinc/79/47/29/553794729.db2.gz ATSBLUQNVIZRMK-SFHVURJKSA-N 1 0 364.534 2.152 20 30 FEEDRO CS(=O)(=O)[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)N[C@@H]1CCOc2ccccc21 ZINC000328640654 553800976 /nfs/dbraw/zinc/80/09/76/553800976.db2.gz CTJHADCRIPVHIF-HLLBOEOZSA-N 1 0 366.483 2.412 20 30 FEEDRO CC(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000328685540 553807222 /nfs/dbraw/zinc/80/72/22/553807222.db2.gz XNMKCBWXFIYEGF-BZSNNMDCSA-N 1 0 353.507 2.006 20 30 FEEDRO CN1C(=O)CN(CC(=O)NC2CC[NH+](C3CC3)CC2)[C@H]1c1ccccc1 ZINC000328704034 553809747 /nfs/dbraw/zinc/80/97/47/553809747.db2.gz OOBRWBLXYSABBE-FQEVSTJZSA-N 1 0 356.470 2.043 20 30 FEEDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000328727278 553813045 /nfs/dbraw/zinc/81/30/45/553813045.db2.gz VBHPTBNQHXZQPE-QZTJIDSGSA-N 1 0 364.534 2.355 20 30 FEEDRO Cc1csc([C@@H]2CN(C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@H]34)CCO2)n1 ZINC000328748637 553815879 /nfs/dbraw/zinc/81/58/79/553815879.db2.gz QNUCKIRBQQXRCP-KFWWJZLASA-N 1 0 350.488 2.366 20 30 FEEDRO O=C(N[C@H](Cc1c[nH]cn1)C(=O)N1CC[NH+]2CCC1CC2)C1CCCCC1 ZINC000328755093 553817071 /nfs/dbraw/zinc/81/70/71/553817071.db2.gz FCFNLUVXXHPKGW-GOSISDBHSA-N 1 0 373.501 2.164 20 30 FEEDRO CC[C@H](C(=O)N[C@@H]1CCCN(c2cccnc2)C1=O)N1CCO[C@H](CC)C1 ZINC000328764894 553818637 /nfs/dbraw/zinc/81/86/37/553818637.db2.gz GPVDWOQOONLHSP-KZNAEPCWSA-N 1 0 374.485 2.423 20 30 FEEDRO C[C@H](CNC(=O)[C@@H]1CCN(c2ccc3c(c2)OCCO3)C1=O)[N@H+](C)C1CC1 ZINC000328773469 553820220 /nfs/dbraw/zinc/82/02/20/553820220.db2.gz HLEYKAYDUMTWJK-CJNGLKHVSA-N 1 0 373.453 2.250 20 30 FEEDRO O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)N1CC[C@H](C2CCOCC2)C1 ZINC000328836217 553830264 /nfs/dbraw/zinc/83/02/64/553830264.db2.gz MPFUBNKIJODALJ-WMZOPIPTSA-N 1 0 365.518 2.150 20 30 FEEDRO CN(C(=O)NC[C@@H]1CCC[N@@H+]1CC1CCCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000328891335 553839941 /nfs/dbraw/zinc/83/99/41/553839941.db2.gz SHSWKVZCYRFCAA-DLBZAZTESA-N 1 0 371.547 2.064 20 30 FEEDRO O=C(C[N@@H+]1CC[C@@H]2[C@H](CCC(=O)N2C2CC2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000328986783 553859214 /nfs/dbraw/zinc/85/92/14/553859214.db2.gz RGMOGMJENDTTBJ-DNVCBOLYSA-N 1 0 374.529 2.045 20 30 FEEDRO C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)NC1CC[NH+](C3CC3)CC1)C2=O ZINC000329004893 553862800 /nfs/dbraw/zinc/86/28/00/553862800.db2.gz YLTBKOIPMOQWMG-BFUOFWGJSA-N 1 0 362.474 2.275 20 30 FEEDRO CC(C)Oc1cccc(CNC(=O)CN2CCO[C@@H]3CC[N@H+](C)C[C@@H]32)c1 ZINC000329009920 553863835 /nfs/dbraw/zinc/86/38/35/553863835.db2.gz HSTXLEYGEKSWQA-RBUKOAKNSA-N 1 0 361.486 2.335 20 30 FEEDRO CC(C)N1C(=O)N[C@@H]2CN(C(=O)NC[C@H](C)C[NH+]3CCCCC3)CC[C@@H]21 ZINC000329023192 553866306 /nfs/dbraw/zinc/86/63/06/553866306.db2.gz IRDAZGJCMHJGGA-BBWFWOEESA-N 1 0 365.522 2.103 20 30 FEEDRO C[NH+](C)[C@H](CNC(=O)N1CCOC[C@@H]1[C@@H]1CCC[C@@H]1O)C1CCCCC1 ZINC000329038839 553869603 /nfs/dbraw/zinc/86/96/03/553869603.db2.gz NTECECIQZKICSN-MANSERQUSA-N 1 0 367.534 2.273 20 30 FEEDRO C[NH+]1CCC(n2ccc(NC(=O)NC3(c4cccc(C#N)c4)CC3)n2)CC1 ZINC000329074896 553875440 /nfs/dbraw/zinc/87/54/40/553875440.db2.gz BPLSCEGQVQQKRE-UHFFFAOYSA-N 1 0 364.453 3.037 20 30 FEEDRO Cc1nc(C(=O)Nc2cccc(C[NH+]3CCC(O)CC3)c2)c(=O)[nH]c1C ZINC000329102826 553881007 /nfs/dbraw/zinc/88/10/07/553881007.db2.gz FUJSTDUKBVNZIW-UHFFFAOYSA-N 1 0 356.426 2.392 20 30 FEEDRO CC[N@@H+]1CCC[C@H](CNC(=O)N[C@H](c2nc(C)no2)C2CCOCC2)C1 ZINC000329110135 553881987 /nfs/dbraw/zinc/88/19/87/553881987.db2.gz GFICBXGEXKTBRT-ZBFHGGJFSA-N 1 0 365.478 2.081 20 30 FEEDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N2CCC[C@@H]2[C@@H]2COCC[C@]2(C)O)C1 ZINC000329135717 553886763 /nfs/dbraw/zinc/88/67/63/553886763.db2.gz QRHALFJFDWPESB-RMJJICAUSA-N 1 0 367.534 2.273 20 30 FEEDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)C1 ZINC000506208673 561693320 /nfs/dbraw/zinc/69/33/20/561693320.db2.gz IUGCDQZFIJFYIT-BEFAXECRSA-N 1 0 351.491 2.485 20 30 FEEDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@@H]1CCO[C@@]2(CCOC2)C1 ZINC000329149585 553889722 /nfs/dbraw/zinc/88/97/22/553889722.db2.gz QTUHSRRQPMDOKZ-LMMKCTJWSA-N 1 0 353.507 2.339 20 30 FEEDRO CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)N[C@@H]2CCC(=O)NC23CCC3)C1 ZINC000329153061 553890155 /nfs/dbraw/zinc/89/01/55/553890155.db2.gz AYCKQJDFXYEBCL-HRCADAONSA-N 1 0 364.490 2.127 20 30 FEEDRO Cc1nn(C)c(C)c1[C@@H]1COCCN1C(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000329156934 553891526 /nfs/dbraw/zinc/89/15/26/553891526.db2.gz WAJJASUINVUYCC-YOEHRIQHSA-N 1 0 363.506 2.199 20 30 FEEDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)C1CCN(c2ccc3nncn3n2)CC1 ZINC000329178464 553896727 /nfs/dbraw/zinc/89/67/27/553896727.db2.gz CQZAOATXBDQCAA-INIZCTEOSA-N 1 0 371.489 2.172 20 30 FEEDRO CCC[C@@H]1C[C@H](C(=O)NC2CC[NH+]([C@H]3CCN(C)C3=O)CC2)CCO1 ZINC000329193142 553899378 /nfs/dbraw/zinc/89/93/78/553899378.db2.gz SIRLWAFRYDOPIA-OIISXLGYSA-N 1 0 351.491 2.233 20 30 FEEDRO C[NH+](C)[C@H](CNC(=O)N1CCOC[C@@H]1[C@H]1CCCO1)c1ccc(F)cc1 ZINC000329232709 553907533 /nfs/dbraw/zinc/90/75/33/553907533.db2.gz LMLRHCZQSAVEGN-KZNAEPCWSA-N 1 0 365.449 2.222 20 30 FEEDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N1CC[C@H](C(=O)N2CCCC2)C1 ZINC000329231670 553907743 /nfs/dbraw/zinc/90/77/43/553907743.db2.gz KUTBMPBNIHOLRH-DLBZAZTESA-N 1 0 350.507 2.109 20 30 FEEDRO C[C@@H]1CCC[C@](CNC(=O)N2CCOC[C@@H]2[C@H]2CCCO2)([NH+](C)C)C1 ZINC000329243060 553909206 /nfs/dbraw/zinc/90/92/06/553909206.db2.gz SQOZQLUDACHHGZ-MTNOOBJLSA-N 1 0 353.507 2.291 20 30 FEEDRO CCn1c2ccc(C(=O)NC[C@@H]3CCCC[N@@H+]3CC)cc2[nH]c(=O)c1=O ZINC000329244886 553909734 /nfs/dbraw/zinc/90/97/34/553909734.db2.gz UWVGXIGVTARABL-AWEZNQCLSA-N 1 0 358.442 2.301 20 30 FEEDRO C[NH+](C)C1(CNC(=O)N[C@@H]2CCCN(C(=O)N3CCCC3)C2)CCCC1 ZINC000329246425 553909790 /nfs/dbraw/zinc/90/97/90/553909790.db2.gz VSDPMTBZOJZPMA-MRXNPFEDSA-N 1 0 365.522 2.045 20 30 FEEDRO CC1(C)C[C@H](NC(=O)NC[C@]2(N3CCOCC3)CCSC2)C(C)(C)O1 ZINC000329245504 553910049 /nfs/dbraw/zinc/91/00/49/553910049.db2.gz QOLAAQRCCUUELV-KBXCAEBGSA-N 1 0 371.547 2.044 20 30 FEEDRO Cc1ccc(C(=O)N2CCN(C(=O)N[C@H]3CC[N@@H+](C4CC4)C3)CC2)cc1F ZINC000329272237 553914691 /nfs/dbraw/zinc/91/46/91/553914691.db2.gz ADHJVLXGUYBHHI-INIZCTEOSA-N 1 0 374.460 2.043 20 30 FEEDRO CC(C)[C@@H](NC(=O)NCc1ccccc1)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000329305404 553921753 /nfs/dbraw/zinc/92/17/53/553921753.db2.gz YHPAQQGQGNBKJH-LJQANCHMSA-N 1 0 372.513 2.412 20 30 FEEDRO Cn1nccc1[C@H]1[C@H](CNC(=O)N[C@@H]2CCCCC[C@H]2O)CCC[N@@H+]1C ZINC000329318451 553924660 /nfs/dbraw/zinc/92/46/60/553924660.db2.gz IGOWPSWUGLWCCT-BURFUSLBSA-N 1 0 363.506 2.000 20 30 FEEDRO CC(C)N1C[C@H](NC(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)CC1=O ZINC000329324055 553925112 /nfs/dbraw/zinc/92/51/12/553925112.db2.gz VJZJGGRTAKQXDN-HRCADAONSA-N 1 0 350.507 2.152 20 30 FEEDRO O=C(CNC(=O)N1CC[C@H]([NH+]2CCCCC2)C1)N1CCCc2ccccc21 ZINC000329331596 553926530 /nfs/dbraw/zinc/92/65/30/553926530.db2.gz WFACSZNXRMHMAD-SFHVURJKSA-N 1 0 370.497 2.440 20 30 FEEDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2CCC[C@@H]2[C@@H]2COCC[C@H]2O)C1 ZINC000329338373 553928177 /nfs/dbraw/zinc/92/81/77/553928177.db2.gz QLJHURFZKIXZHF-FCGDIQPGSA-N 1 0 367.534 2.130 20 30 FEEDRO C[C@@H]1CC(CNC(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)C[C@@H](C)O1 ZINC000329340685 553928489 /nfs/dbraw/zinc/92/84/89/553928489.db2.gz RTQZZMFESHGNMY-RGCFKVTRSA-N 1 0 367.534 2.462 20 30 FEEDRO Cc1cc(N2CCC(NC(=O)[C@H]3COCCN3CC3CCC3)CC2)n[nH]1 ZINC000329344614 553929013 /nfs/dbraw/zinc/92/90/13/553929013.db2.gz QPCSNDMTTMTZSS-QGZVFWFLSA-N 1 0 361.490 2.144 20 30 FEEDRO CC[N@@H+]1CC[C@H](N(C)C([O-])=[NH+][C@@H]2CCc3nnc(C(C)C)n3C2)C[C@H]1C ZINC000329353187 553930714 /nfs/dbraw/zinc/93/07/14/553930714.db2.gz UXHYSMHHXRMGNZ-OAGGEKHMSA-N 1 0 362.522 2.435 20 30 FEEDRO CC[N@@H+]1CC[C@H](N(C)C([O-])=[NH+][C@@H]2CCc3nnc(C(C)C)n3C2)C[C@@H]1C ZINC000329353188 553930839 /nfs/dbraw/zinc/93/08/39/553930839.db2.gz UXHYSMHHXRMGNZ-XHSDSOJGSA-N 1 0 362.522 2.435 20 30 FEEDRO O=C(Nc1csc(-c2ccccn2)n1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000329404902 553940523 /nfs/dbraw/zinc/94/05/23/553940523.db2.gz CLGXAZPPIYBMPU-CQSZACIVSA-N 1 0 373.482 2.405 20 30 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ZINC000329586991 553972358 /nfs/dbraw/zinc/97/23/58/553972358.db2.gz MPWFIUZQUNJOFF-UHFFFAOYSA-N 1 0 362.499 2.264 20 30 FEEDRO CCO[C@@H]1C[C@H](NC(=O)N(C)[C@@H]2CC[N@H+](CC)[C@H](C)C2)[C@]12CCCO2 ZINC000329603987 553975602 /nfs/dbraw/zinc/97/56/02/553975602.db2.gz YRQXPPWURAXYLG-OGJJZOIMSA-N 1 0 353.507 2.432 20 30 FEEDRO CC[C@@H](C)[NH2+][C@H](CNC(=O)C(=O)Nc1ccc(F)c(C#N)c1)c1ccco1 ZINC000506947365 561712373 /nfs/dbraw/zinc/71/23/73/561712373.db2.gz DFLNUOXWYUKSLY-MLGOLLRUSA-N 1 0 372.400 2.474 20 30 FEEDRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)Nc1cccc(OCC(=O)N2CCCC2)c1 ZINC000329669036 553986077 /nfs/dbraw/zinc/98/60/77/553986077.db2.gz MCUOKZPMHILBIU-HZPDHXFCSA-N 1 0 374.485 2.258 20 30 FEEDRO Cc1ccc(N2CCC[C@H](NC(=O)N3CCC[C@H]3C[NH+]3CCCC3)C2)nn1 ZINC000329684589 553987838 /nfs/dbraw/zinc/98/78/38/553987838.db2.gz UHIULMIRECQLHD-ROUUACIJSA-N 1 0 372.517 2.228 20 30 FEEDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NC1CCC2(CC1)NC(=O)NC2=O ZINC000329714669 553994170 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373.400 2.436 20 30 FEEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000363390186 555092992 /nfs/dbraw/zinc/09/29/92/555092992.db2.gz IPFXEMDCTFJKJE-QGZVFWFLSA-N 1 0 357.502 2.479 20 30 FEEDRO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](n2cnc3ccccc32)C1 ZINC000363510333 555123730 /nfs/dbraw/zinc/12/37/30/555123730.db2.gz NKOVAQDZEBFIRV-CABCVRRESA-N 1 0 355.442 2.074 20 30 FEEDRO N#Cc1ccsc1NC(=O)CC[NH+]1CCC(NC(=O)C2CCC2)CC1 ZINC000363643044 555153363 /nfs/dbraw/zinc/15/33/63/555153363.db2.gz JGAVTMPIYPEFNN-UHFFFAOYSA-N 1 0 360.483 2.329 20 30 FEEDRO CC(C)[C@H](Oc1ccccc1C#N)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000363709074 555168684 /nfs/dbraw/zinc/16/86/84/555168684.db2.gz LBLXYZHMPIKOBR-QUCCMNQESA-N 1 0 371.481 2.331 20 30 FEEDRO N#Cc1ccnc(NC[C@@H]2CCC[N@H+](Cc3cccnc3)C2)c1[N+](=O)[O-] ZINC000363890475 555207949 /nfs/dbraw/zinc/20/79/49/555207949.db2.gz OSVQPOUPSWZHOS-HNNXBMFYSA-N 1 0 352.398 2.581 20 30 FEEDRO CC[NH+]1CCC(N(C2CC2)S(=O)(=O)c2c(F)cc(C#N)cc2F)CC1 ZINC000363950450 555220636 /nfs/dbraw/zinc/22/06/36/555220636.db2.gz PXDUODGZZIXIRQ-UHFFFAOYSA-N 1 0 369.437 2.474 20 30 FEEDRO C=CCNC(=O)c1ccc(NC(=O)[C@]2([NH3+])[C@H]3CCCO[C@@H]3C2(C)C)cc1 ZINC000364009143 555232691 /nfs/dbraw/zinc/23/26/91/555232691.db2.gz ZUYTYDVQSKXNAM-TWOQFEAHSA-N 1 0 357.454 2.073 20 30 FEEDRO CN1CC[NH+](CCC2CCN(C(=O)c3ccccc3OCC#N)CC2)CC1 ZINC000364058506 555242605 /nfs/dbraw/zinc/24/26/05/555242605.db2.gz UGNLNJIAFJVRDY-UHFFFAOYSA-N 1 0 370.497 2.079 20 30 FEEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH2+][C@H]1CSC[C@H]1C ZINC000512221109 561896438 /nfs/dbraw/zinc/89/64/38/561896438.db2.gz WGZUZWQZHLTZDR-WBMJQRKESA-N 1 0 364.515 2.293 20 30 FEEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000364161500 555260892 /nfs/dbraw/zinc/26/08/92/555260892.db2.gz MNRPXKVSJFCGBR-MJGOQNOKSA-N 1 0 359.470 2.256 20 30 FEEDRO C=CCN(C(=O)N[C@H](C)C[S@](C)=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000364277636 555282990 /nfs/dbraw/zinc/28/29/90/555282990.db2.gz CZKCPUWLPNIJAC-QDKQFYOWSA-N 1 0 363.527 2.226 20 30 FEEDRO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)C[C@H](O)COC1CCOCC1 ZINC000512548227 561908759 /nfs/dbraw/zinc/90/87/59/561908759.db2.gz ZDZVQFUIYNJCTN-SFHVURJKSA-N 1 0 351.491 2.399 20 30 FEEDRO C[C@@H]([C@@H]1CN(Cc2ccccc2)CCO1)N(C)C(=O)c1cc(C#N)cn1C ZINC000364857442 555416639 /nfs/dbraw/zinc/41/66/39/555416639.db2.gz WOROMBZKUJBFPF-JXFKEZNVSA-N 1 0 366.465 2.258 20 30 FEEDRO C[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2CCC(C#N)CC2)[C@H]1c1cccs1 ZINC000512764184 561914585 /nfs/dbraw/zinc/91/45/85/561914585.db2.gz BVPDHRTXNSNIGB-WBVHZDCISA-N 1 0 374.510 2.009 20 30 FEEDRO Cc1ncc(CN2CC[C@H]([NH2+][C@H](C)C(=O)N(C)CCC#N)[C@H](C)C2)s1 ZINC000364920495 555437859 /nfs/dbraw/zinc/43/78/59/555437859.db2.gz ZEQQSNIUPXPXFE-CPUCHLNUSA-N 1 0 363.531 2.012 20 30 FEEDRO N#CC1(NC(=O)CCOCC(F)F)CC[NH+](Cc2ccccc2)CC1 ZINC000365070725 555478178 /nfs/dbraw/zinc/47/81/78/555478178.db2.gz HWTXTXUAGOTWMC-UHFFFAOYSA-N 1 0 351.397 2.333 20 30 FEEDRO C[NH+](C)[C@H]1CCCN(C(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1 ZINC000365267187 555527796 /nfs/dbraw/zinc/52/77/96/555527796.db2.gz PMJPIAFVNRPMMJ-INIZCTEOSA-N 1 0 353.430 2.087 20 30 FEEDRO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)c1cc(C#N)c[nH]1 ZINC000365913083 555699763 /nfs/dbraw/zinc/69/97/63/555699763.db2.gz VUGSUASJYBJPFH-UHFFFAOYSA-N 1 0 357.502 2.155 20 30 FEEDRO C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CC[NH+]([C@H]2CCSC2)CC1 ZINC000366064386 555741174 /nfs/dbraw/zinc/74/11/74/555741174.db2.gz ALUKUTRFVSUURE-HKUYNNGSSA-N 1 0 372.538 2.445 20 30 FEEDRO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)OC)CC1 ZINC000366304734 555807243 /nfs/dbraw/zinc/80/72/43/555807243.db2.gz CNVWYLKCCMRVIR-NXHRZFHOSA-N 1 0 366.502 2.090 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N(C)C1CC[NH+](C2CCOCC2)CC1 ZINC000366676139 555905728 /nfs/dbraw/zinc/90/57/28/555905728.db2.gz DXFJCQQRJHEIHE-LPHOPBHVSA-N 1 0 365.518 2.252 20 30 FEEDRO CCOC(=O)[C@H](C)[C@H](C)[NH2+][C@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000514245205 561965497 /nfs/dbraw/zinc/96/54/97/561965497.db2.gz TZCURTYAASACEP-AOZDQCPJSA-N 1 0 351.491 2.483 20 30 FEEDRO CCc1nc(CN2C[C@@H]3C[N@@H+](CCCC4(C#N)CCOCC4)C[C@@H]3C2)no1 ZINC000366897307 555963125 /nfs/dbraw/zinc/96/31/25/555963125.db2.gz QEBBEBXDQATYIH-CALCHBBNSA-N 1 0 373.501 2.096 20 30 FEEDRO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCC2(C[C@@H]2C(=O)N2CCCC2)CC1 ZINC000367562157 556082913 /nfs/dbraw/zinc/08/29/13/556082913.db2.gz GEZZFKZKKKMBHQ-QZTJIDSGSA-N 1 0 359.514 2.300 20 30 FEEDRO CN(C)C(=O)N1CCC([NH2+][C@@H]2CCCN(c3ccccc3C#N)C2)CC1 ZINC000367624814 556099491 /nfs/dbraw/zinc/09/94/91/556099491.db2.gz XTYWAFSIZZHUJF-GOSISDBHSA-N 1 0 355.486 2.263 20 30 FEEDRO C=CCCC[C@H](C)NC(=O)N(C)C1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000367752449 556130682 /nfs/dbraw/zinc/13/06/82/556130682.db2.gz GUNCPHUMIQJQDD-KRWDZBQOSA-N 1 0 364.534 2.459 20 30 FEEDRO N#Cc1ccc(-n2ccc(NC(=O)N[C@H]3CC[N@@H+]4CCC[C@H]4C3)n2)c(F)c1 ZINC000367804528 556143184 /nfs/dbraw/zinc/14/31/84/556143184.db2.gz UTRYOCPZXWVSRE-GJZGRUSLSA-N 1 0 368.416 2.631 20 30 FEEDRO N#Cc1cc(NC(=O)C23CCC[NH+]2CCC3)ccc1N1CCC(O)CC1 ZINC000367975565 556186092 /nfs/dbraw/zinc/18/60/92/556186092.db2.gz YRCPXITUYLDGDF-UHFFFAOYSA-N 1 0 354.454 2.086 20 30 FEEDRO C=CCNc1ncc(C(=O)N2CCC[C@@H]([NH+]3CCOCC3)CC2)s1 ZINC000621997264 556198641 /nfs/dbraw/zinc/19/86/41/556198641.db2.gz GFYKHXGWYRYQFE-CQSZACIVSA-N 1 0 350.488 2.068 20 30 FEEDRO N#Cc1ccc(N2C(=O)C[C@H]([N@@H+]3CC[C@@H](Cc4ccncc4)C3)C2=O)cc1 ZINC000368076404 556212175 /nfs/dbraw/zinc/21/21/75/556212175.db2.gz POKBXZQYNDNOEO-HKUYNNGSSA-N 1 0 360.417 2.150 20 30 FEEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CC[C@@H]3C(=O)NC[C@@H]3C2)c1 ZINC000368102255 556219866 /nfs/dbraw/zinc/21/98/66/556219866.db2.gz XRQGQRSSMSRTLT-SCTDSRPQSA-N 1 0 368.481 2.007 20 30 FEEDRO N#Cc1ccc(NC(=O)CC[N@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)cc1Cl ZINC000368975634 556464973 /nfs/dbraw/zinc/46/49/73/556464973.db2.gz RSUSGORMQDKHGK-JDFRZJQESA-N 1 0 360.845 2.126 20 30 FEEDRO C=CCN(CC=C)C(=O)c1nnn(-c2cccc3c2CC[N@@H+](C)C3)c1C ZINC000369114923 556508883 /nfs/dbraw/zinc/50/88/83/556508883.db2.gz CFUPTDBQBSZOCO-UHFFFAOYSA-N 1 0 351.454 2.378 20 30 FEEDRO Cn1cc([C@@H]2[C@H](CNC(=O)Nc3cccc(C#N)c3)CCC[N@@H+]2C)cn1 ZINC000369425941 556597802 /nfs/dbraw/zinc/59/78/02/556597802.db2.gz YBYOAFAHYGJOQX-YJBOKZPZSA-N 1 0 352.442 2.496 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)C[C@@H]2c3ccccc3CCN2C(C)=O)CC1 ZINC000369592621 556640974 /nfs/dbraw/zinc/64/09/74/556640974.db2.gz QGBNOFCXJBFZEN-OAQYLSRUSA-N 1 0 367.493 2.126 20 30 FEEDRO CC[NH+]1CCC(CNC(=O)N2CCN(c3ccccc3C#N)CC2)CC1 ZINC000516424657 562042618 /nfs/dbraw/zinc/04/26/18/562042618.db2.gz DITFWJKQKVMPEV-UHFFFAOYSA-N 1 0 355.486 2.122 20 30 FEEDRO Cc1ccc(C#N)c(N2CCC[C@H](C(=O)NC3CC[NH+](C4CC4)CC3)C2)n1 ZINC000369937449 556735557 /nfs/dbraw/zinc/73/55/57/556735557.db2.gz PZEFKOYMYIMGNT-KRWDZBQOSA-N 1 0 367.497 2.221 20 30 FEEDRO COC(=O)c1ccnc(N2CCC([NH2+]Cc3cccc(C#N)c3)CC2)c1 ZINC000369968464 556744272 /nfs/dbraw/zinc/74/42/72/556744272.db2.gz ZIHJOHJXJITZMM-UHFFFAOYSA-N 1 0 350.422 2.498 20 30 FEEDRO Cn1cc(C[C@@H]2CC[N@H+](CC(=O)Nc3ccc(C#N)c(Cl)c3)C2)cn1 ZINC000370010453 556756929 /nfs/dbraw/zinc/75/69/29/556756929.db2.gz MOJCLBPNNGHXSU-ZDUSSCGKSA-N 1 0 357.845 2.448 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@H]2c3ccccc3CC[C@H]2CO)cc1 ZINC000370092264 556778780 /nfs/dbraw/zinc/77/87/80/556778780.db2.gz FGLQXSMIEXSJDW-FXAWDEMLSA-N 1 0 370.474 2.218 20 30 FEEDRO C[C@@H]1C[NH+](CCC2CCN(C(=O)c3ccc(C#N)nc3)CC2)C[C@@H](C)O1 ZINC000370207012 556811017 /nfs/dbraw/zinc/81/10/17/556811017.db2.gz GEMLRPPKNCZHPX-HZPDHXFCSA-N 1 0 356.470 2.305 20 30 FEEDRO CN1CCC[C@@]2(CC[N@H+](Cc3nnc(-c4ccc(C#N)cc4)o3)C2)C1=O ZINC000370410741 556865402 /nfs/dbraw/zinc/86/54/02/556865402.db2.gz RJHJVRBKYKDWCJ-IBGZPJMESA-N 1 0 351.410 2.053 20 30 FEEDRO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NC1CC[NH+](CCc2ccncc2)CC1 ZINC000370463091 556879548 /nfs/dbraw/zinc/87/95/48/556879548.db2.gz RKCFFQCAVVVYTJ-UYAOXDASSA-N 1 0 372.513 2.369 20 30 FEEDRO N#Cc1ccc([C@@H](O)C[NH+]2CCC(C(=O)Nc3nccs3)CC2)cc1 ZINC000370558255 556908381 /nfs/dbraw/zinc/90/83/81/556908381.db2.gz OLJIPAFBPQTQAY-INIZCTEOSA-N 1 0 356.451 2.399 20 30 FEEDRO CC[N@@H+]1CCC[C@@H](CN(C)C(=O)c2ccc(C#N)nc2)[C@@H]1c1cnn(C)c1 ZINC000370639074 556927192 /nfs/dbraw/zinc/92/71/92/556927192.db2.gz BXITYDLYJCFCTA-QFBILLFUSA-N 1 0 366.469 2.232 20 30 FEEDRO CC(C)(Oc1ccc(C#N)cc1)C(=O)NC[C@@H]1CCC[C@H]1[NH+]1CCOCC1 ZINC000370650272 556931148 /nfs/dbraw/zinc/93/11/48/556931148.db2.gz CLWXULNKXDTPGD-PKOBYXMFSA-N 1 0 371.481 2.333 20 30 FEEDRO C[C@H](C#N)Oc1ccc(CN2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)cc1 ZINC000370711138 556946631 /nfs/dbraw/zinc/94/66/31/556946631.db2.gz WBNLIHNDGOMMPY-OPYAIIAOSA-N 1 0 356.514 2.435 20 30 FEEDRO C[C@H](Oc1ccccc1C#N)C(=O)N1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000370824301 556980727 /nfs/dbraw/zinc/98/07/27/556980727.db2.gz QLMNQPFRNBEIJE-ITQYTPKQSA-N 1 0 357.454 2.036 20 30 FEEDRO C[C@@H](C#N)Oc1ccc(C[NH2+][C@H]2CCN(c3ccccc3C(N)=O)C2)cc1 ZINC000370831448 556983503 /nfs/dbraw/zinc/98/35/03/556983503.db2.gz VAUDSPTWYIRBFT-RDJZCZTQSA-N 1 0 364.449 2.445 20 30 FEEDRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)N[C@H](CCC#N)c3ccccc3)CC2)C1 ZINC000370879734 557000139 /nfs/dbraw/zinc/00/01/39/557000139.db2.gz XZXUPKSGCXJAOQ-WOJBJXKFSA-N 1 0 369.513 2.453 20 30 FEEDRO N#Cc1ccc(NC(=O)C[N@@H+]2CCCC[C@H]2[C@@H]2CNC(=O)C2)cc1Cl ZINC000371298404 557136668 /nfs/dbraw/zinc/13/66/68/557136668.db2.gz VKUJQYWRGALCIB-BBRMVZONSA-N 1 0 360.845 2.141 20 30 FEEDRO N#Cc1cccc([C@@H]2CN(C(=O)NC3CC[NH+](C4CC4)CC3)CCO2)c1 ZINC000371345598 557154529 /nfs/dbraw/zinc/15/45/29/557154529.db2.gz RJWQHTNPVUHPNA-IBGZPJMESA-N 1 0 354.454 2.268 20 30 FEEDRO Cc1cccc(NC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCCC3)C2)c1C#N ZINC000371873095 557316068 /nfs/dbraw/zinc/31/60/68/557316068.db2.gz QRMHMGWJIWHSBV-MRXNPFEDSA-N 1 0 354.454 2.282 20 30 FEEDRO C[C@@H](C[NH+]1CCC(C)CC1)NS(=O)(=O)Cc1cc(C#N)ccc1F ZINC000518397038 562110685 /nfs/dbraw/zinc/11/06/85/562110685.db2.gz DAXZENZXRXTZIW-AWEZNQCLSA-N 1 0 353.463 2.237 20 30 FEEDRO COC(=O)c1cn([C@H]2CCC[N@H+](CCCOc3ccc(C#N)cc3)C2)nn1 ZINC000372034415 557362286 /nfs/dbraw/zinc/36/22/86/557362286.db2.gz WQYYYQXGDZYZSF-INIZCTEOSA-N 1 0 369.425 2.042 20 30 FEEDRO N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H](Cc3nnc4ccccn43)C2)cc1 ZINC000372048651 557366500 /nfs/dbraw/zinc/36/65/00/557366500.db2.gz KTJLELQWYKXKEL-QGZVFWFLSA-N 1 0 374.448 2.494 20 30 FEEDRO CC(C)[C@@H](C(=O)N1CCC(Nc2ccc(C#N)cn2)CC1)[NH+]1CCCCC1 ZINC000372119347 557384525 /nfs/dbraw/zinc/38/45/25/557384525.db2.gz ADIAXGMZKUXLLH-FQEVSTJZSA-N 1 0 369.513 2.867 20 30 FEEDRO N#Cc1ccc(N2CCC[C@@H]([NH+]3CCC(O[C@@H]4CCOC4)CC3)C2=O)cc1 ZINC000518812881 562119174 /nfs/dbraw/zinc/11/91/74/562119174.db2.gz VHYPCJWAIJPPAZ-WOJBJXKFSA-N 1 0 369.465 2.324 20 30 FEEDRO CC[N@@H+]1CCC[C@H](NC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)C1 ZINC000518835954 562119639 /nfs/dbraw/zinc/11/96/39/562119639.db2.gz UCQSTGSSFSKEQO-IRXDYDNUSA-N 1 0 373.476 2.450 20 30 FEEDRO CCC[N@@H+]1CC[C@H](CNC(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)C1 ZINC000372341371 557444857 /nfs/dbraw/zinc/44/48/57/557444857.db2.gz BITKPIWRBIMZTF-IEBWSBKVSA-N 1 0 356.470 2.373 20 30 FEEDRO C[C@H](NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000519531845 562133724 /nfs/dbraw/zinc/13/37/24/562133724.db2.gz MDMPUZMHDOTPKL-DOTOQJQBSA-N 1 0 356.470 2.499 20 30 FEEDRO CC(C)NC(=O)c1cnn2c1C[C@@H](C[NH2+]Cc1ccc(C#N)s1)CC2 ZINC000372615881 557521629 /nfs/dbraw/zinc/52/16/29/557521629.db2.gz CTVZKGQTQCQMQL-ZDUSSCGKSA-N 1 0 357.483 2.307 20 30 FEEDRO C[NH+](C)CCOc1cccc(NC(=O)C(=O)N2CCC(CCC#N)CC2)c1 ZINC000519540806 562134044 /nfs/dbraw/zinc/13/40/44/562134044.db2.gz RKRSKESCZVZGCT-UHFFFAOYSA-N 1 0 372.469 2.108 20 30 FEEDRO N#Cc1cccc(CNC(=O)CN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000372728953 557548315 /nfs/dbraw/zinc/54/83/15/557548315.db2.gz JZAGAZPNEVRTEM-QUCCMNQESA-N 1 0 352.482 2.123 20 30 FEEDRO C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1NC(=O)Cc1cccc(OCC#N)c1 ZINC000372863201 557578037 /nfs/dbraw/zinc/57/80/37/557578037.db2.gz MNYJYVXIFRXMDB-AHRSYUTCSA-N 1 0 371.481 2.137 20 30 FEEDRO N#Cc1ncccc1S(=O)(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000372989267 557604593 /nfs/dbraw/zinc/60/45/93/557604593.db2.gz JAZFTZLLNZYSBA-KRWDZBQOSA-N 1 0 370.478 2.144 20 30 FEEDRO C=CC[N@H+](C[C@@H](O)COC(C)(C)C)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000520195993 562150393 /nfs/dbraw/zinc/15/03/93/562150393.db2.gz UBEDMFBUWOPHKA-CRAIPNDOSA-N 1 0 359.474 2.387 20 30 FEEDRO CC1(C)Oc2ccsc2[C@@H]([NH2+]C[C@H](O)COc2ccc(C#N)cc2)[C@@H]1O ZINC000520230383 562151225 /nfs/dbraw/zinc/15/12/25/562151225.db2.gz MWVWGQIHLWPUBC-XCRHUMRWSA-N 1 0 374.462 2.222 20 30 FEEDRO Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC(n3cnc(C#N)n3)CC2)cc1C ZINC000373408742 557688490 /nfs/dbraw/zinc/68/84/90/557688490.db2.gz YWJSAVSOZFSSAQ-HNNXBMFYSA-N 1 0 352.442 2.431 20 30 FEEDRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1Cc1ncc(-c2ccc(C#N)cc2)o1 ZINC000373438551 557693552 /nfs/dbraw/zinc/69/35/52/557693552.db2.gz HABWOHIMCYFZKC-HNNXBMFYSA-N 1 0 354.454 2.490 20 30 FEEDRO N#Cc1ncn(C2CC[NH+](Cc3cc(Br)ccc3O)CC2)n1 ZINC000373466692 557699218 /nfs/dbraw/zinc/69/92/18/557699218.db2.gz PCURIXUFUGAOLI-UHFFFAOYSA-N 1 0 362.231 2.455 20 30 FEEDRO C[C@H](CO)[N@@H+]1CCCN(Cc2cn(CCC#N)nc2-c2ccccc2)CC1 ZINC000373734098 557747676 /nfs/dbraw/zinc/74/76/76/557747676.db2.gz PXAJJARBKWHVLG-GOSISDBHSA-N 1 0 367.497 2.352 20 30 FEEDRO CC[NH+](CC)C[C@@H](C)NC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000520654706 562161110 /nfs/dbraw/zinc/16/11/10/562161110.db2.gz SEUBDEKNMADBTB-QGZVFWFLSA-N 1 0 357.502 2.116 20 30 FEEDRO C=CCN1CC[C@@H]([NH+]2CCC(C(=O)Nc3ccccc3OC)CC2)C1=O ZINC000374057145 557815311 /nfs/dbraw/zinc/81/53/11/557815311.db2.gz KOERGBWWUKUFAY-QGZVFWFLSA-N 1 0 357.454 2.133 20 30 FEEDRO CN1Cc2ccccc2[C@@H](NC(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000374325008 557865875 /nfs/dbraw/zinc/86/58/75/557865875.db2.gz CJMOTIVHZMMZOW-KRWDZBQOSA-N 1 0 368.824 2.453 20 30 FEEDRO C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000374410824 557880466 /nfs/dbraw/zinc/88/04/66/557880466.db2.gz IYMRAHVIZORJHK-IAAVTCLWSA-N 1 0 357.454 2.036 20 30 FEEDRO N#Cc1ccc(N2CCC[C@H]([NH+]3CCC(c4nnc[nH]4)CC3)C2=O)cc1 ZINC000374899147 557947982 /nfs/dbraw/zinc/94/79/82/557947982.db2.gz VAFNWFHHBXJSIU-KRWDZBQOSA-N 1 0 350.426 2.051 20 30 FEEDRO Cc1noc(C)c1CO[C@@H]1CCN(CC(=O)NCc2cccc(C#N)c2)C1 ZINC000375170617 557986811 /nfs/dbraw/zinc/98/68/11/557986811.db2.gz HUGROVDLDCCMGH-GOSISDBHSA-N 1 0 368.437 2.070 20 30 FEEDRO N#Cc1ccc(N2CC[C@@H]([N@@H+]3CC[C@@]4(C3)C(=O)Nc3ccccc34)C2=O)cc1 ZINC000375316565 558008009 /nfs/dbraw/zinc/00/80/09/558008009.db2.gz ADXAAFIPVWNUPL-KNQAVFIVSA-N 1 0 372.428 2.259 20 30 FEEDRO COC(=O)c1ccc(N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)c(C#N)n1 ZINC000521370288 562175060 /nfs/dbraw/zinc/17/50/60/562175060.db2.gz PAOJSHJHJJCSHT-CALCHBBNSA-N 1 0 362.433 2.308 20 30 FEEDRO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H](c3nc(-c4ccccc4)n[nH]3)C2)C1=O ZINC000375605873 558055960 /nfs/dbraw/zinc/05/59/60/558055960.db2.gz FVWWXOZXZNEYPZ-DLBZAZTESA-N 1 0 351.454 2.438 20 30 FEEDRO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](Nc3cc(OC)cc(OC)c3)C2)C1=O ZINC000375615551 558057236 /nfs/dbraw/zinc/05/72/36/558057236.db2.gz ZUDZOFOHGORRRJ-BEFAXECRSA-N 1 0 359.470 2.367 20 30 FEEDRO C[NH+]1CCC(N2CC[C@H](NC(=O)C(C)(C)c3cc(F)cc(C#N)c3)C2)CC1 ZINC000375737228 558074851 /nfs/dbraw/zinc/07/48/51/558074851.db2.gz AGYVVKDEJYUGAL-SFHVURJKSA-N 1 0 372.488 2.260 20 30 FEEDRO CN1CC[NH2+]C[C@@H]1CNC(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 ZINC000521581912 562179402 /nfs/dbraw/zinc/17/94/02/562179402.db2.gz DDDKSNKPAWCUOR-QGZVFWFLSA-N 1 0 365.437 2.376 20 30 FEEDRO C=CCNS(=O)(=O)c1ccc(C(=O)Nc2cccc3c2C[NH2+]CC3)cc1 ZINC000375957446 558105040 /nfs/dbraw/zinc/10/50/40/558105040.db2.gz LMZZGWUKQNYNIP-UHFFFAOYSA-N 1 0 371.462 2.049 20 30 FEEDRO C[C@@H]1C[C@H](NC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)C[N@@H+]1C1CC1 ZINC000376220074 558143419 /nfs/dbraw/zinc/14/34/19/558143419.db2.gz HTHWBDYVSYYHTN-KBMXLJTQSA-N 1 0 356.445 2.265 20 30 FEEDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000376361863 558163120 /nfs/dbraw/zinc/16/31/20/558163120.db2.gz ZTBKGQHHJSEAJH-SWLSCSKDSA-N 1 0 353.875 2.459 20 30 FEEDRO N#Cc1ccc(S(N)(=O)=O)cc1NC1CC[NH+](C2CCCCC2)CC1 ZINC000376407851 558169489 /nfs/dbraw/zinc/16/94/89/558169489.db2.gz MLKJALCPMKYYRV-UHFFFAOYSA-N 1 0 362.499 2.415 20 30 FEEDRO C=C(CNC(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1)c1ccccc1 ZINC000377006635 558250892 /nfs/dbraw/zinc/25/08/92/558250892.db2.gz SFGMHRLJPNTMJW-UYAOXDASSA-N 1 0 356.514 2.367 20 30 FEEDRO COc1cccc(CC(=O)N2CCC([NH2+]Cc3cc(C#N)n(C)c3)CC2)c1 ZINC000377024260 558253065 /nfs/dbraw/zinc/25/30/65/558253065.db2.gz YKJKGFDNVSIWOI-UHFFFAOYSA-N 1 0 366.465 2.229 20 30 FEEDRO N#Cc1ccccc1OCC[NH+]1CCC(C(=O)Nc2cnccn2)CC1 ZINC000377445703 558342435 /nfs/dbraw/zinc/34/24/35/558342435.db2.gz RWWHBVOURBPXGP-UHFFFAOYSA-N 1 0 351.410 2.078 20 30 FEEDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)C1 ZINC000377668062 558391887 /nfs/dbraw/zinc/39/18/87/558391887.db2.gz JSNZHQKQMLIHSO-LMMKCTJWSA-N 1 0 361.534 2.126 20 30 FEEDRO C#Cc1ccc(C[N@H+]2CCC[C@H](c3n[nH]cc3NS(C)(=O)=O)C2)cc1 ZINC000377710233 558403068 /nfs/dbraw/zinc/40/30/68/558403068.db2.gz WJDSVVYZTHKBLT-INIZCTEOSA-N 1 0 358.467 2.142 20 30 FEEDRO C[C@H](C(=O)N(C)CCC#N)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000377717125 558404342 /nfs/dbraw/zinc/40/43/42/558404342.db2.gz DLAOYMCBJBCOMD-MISYRCLQSA-N 1 0 354.498 2.201 20 30 FEEDRO CCOC(=O)CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)Cc1ccc(C#N)cc1 ZINC000522881044 562205349 /nfs/dbraw/zinc/20/53/49/562205349.db2.gz FVKTWBRJDZMAAK-LJQANCHMSA-N 1 0 371.481 2.367 20 30 FEEDRO CC(C)(Oc1ccc(C#N)cc1)C(=O)N1CCC[N@@H+](C2CCOCC2)CC1 ZINC000378166799 558494627 /nfs/dbraw/zinc/49/46/27/558494627.db2.gz FANJXHWDEUYTTR-UHFFFAOYSA-N 1 0 371.481 2.429 20 30 FEEDRO COC(=O)c1ccc(CN2C[C@@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)cc1 ZINC000378285130 558519506 /nfs/dbraw/zinc/51/95/06/558519506.db2.gz HTGDTVLZDALJNL-IERDGZPVSA-N 1 0 361.401 2.319 20 30 FEEDRO C=CCN(C(=O)[C@@H](O)c1cccnc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000378318447 558528748 /nfs/dbraw/zinc/52/87/48/558528748.db2.gz UVRUCSWRMWCVEJ-PMACEKPBSA-N 1 0 351.450 2.404 20 30 FEEDRO C=C(C)COc1cccc(NC(=O)C(=O)N2CC[C@@H]3CC[N@@H+](C)[C@H]3C2)c1 ZINC000378447077 558559294 /nfs/dbraw/zinc/55/92/94/558559294.db2.gz ACPLNFVRSGLZCY-YJBOKZPZSA-N 1 0 357.454 2.133 20 30 FEEDRO CCCC(=O)NC[C@@H]1CCC[N@@H+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000523607391 562215916 /nfs/dbraw/zinc/21/59/16/562215916.db2.gz XIJMOINCYXXOBE-GJYPPUQNSA-N 1 0 350.507 2.058 20 30 FEEDRO C[N@@H+]1CCO[C@@H]2CCN(c3nc4c(c(C#N)c3C#N)CCCCCC4)C[C@H]21 ZINC000408032137 558639913 /nfs/dbraw/zinc/63/99/13/558639913.db2.gz ZYZPFAZXUKEZNC-WOJBJXKFSA-N 1 0 365.481 2.393 20 30 FEEDRO CC[N@@H+]1CCCN(C(=O)[C@H]2CCCN(c3nc(C)ccc3C#N)C2)CC1 ZINC000408287611 558664248 /nfs/dbraw/zinc/66/42/48/558664248.db2.gz SNSIFEFOPMPAKO-SFHVURJKSA-N 1 0 355.486 2.032 20 30 FEEDRO C[N@@H+]1CCO[C@@H]2CN(c3c(C#N)cnc4c(Br)cccc43)C[C@H]21 ZINC000408424798 558676059 /nfs/dbraw/zinc/67/60/59/558676059.db2.gz XRBIELYITRWIKT-HUUCEWRRSA-N 1 0 373.254 2.388 20 30 FEEDRO CCN(C[C@H](C)C#N)S(=O)(=O)NCCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000409566692 558703789 /nfs/dbraw/zinc/70/37/89/558703789.db2.gz BPAZAPQNSILQFR-YESZJQIVSA-N 1 0 358.552 2.060 20 30 FEEDRO C[C@H](C(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1)n1cnc(C#N)n1 ZINC000409636442 558709536 /nfs/dbraw/zinc/70/95/36/558709536.db2.gz SFXGKRYFASQPRR-MRXNPFEDSA-N 1 0 366.469 2.081 20 30 FEEDRO C[C@H](C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1)n1cnc(C#N)n1 ZINC000409680295 558712852 /nfs/dbraw/zinc/71/28/52/558712852.db2.gz LXAGJCDLRCOCKG-JKSUJKDBSA-N 1 0 366.469 2.491 20 30 FEEDRO C=CCNC(=O)NC(=O)CN(CC)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000524599483 562230965 /nfs/dbraw/zinc/23/09/65/562230965.db2.gz KJJPNUWDVYHCGE-WMZOPIPTSA-N 1 0 358.486 2.156 20 30 FEEDRO C[C@@H](C(=O)Nc1ccc(OCC[N@@H+]2CC[C@H](C)C2)cc1)n1cnc(C#N)n1 ZINC000409777058 558719371 /nfs/dbraw/zinc/71/93/71/558719371.db2.gz YFZSJARLZQRMBT-GJZGRUSLSA-N 1 0 368.441 2.070 20 30 FEEDRO C=C(C)CN(C)C(=O)C(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000410810975 558813153 /nfs/dbraw/zinc/81/31/53/558813153.db2.gz NBCACRSFVPBNOK-UHFFFAOYSA-N 1 0 358.486 2.181 20 30 FEEDRO Cc1cc(NC(=O)C(=O)N[C@H]2CC[C@@H](CC#N)C2)ccc1OCC[NH+](C)C ZINC000411572390 558920034 /nfs/dbraw/zinc/92/00/34/558920034.db2.gz IOWILMVUKJNPJZ-RDJZCZTQSA-N 1 0 372.469 2.073 20 30 FEEDRO Cc1cc(C#N)cc(NC(=O)C(=O)N(CC[NH+](C)C)Cc2ccsc2)c1 ZINC000411688900 558944864 /nfs/dbraw/zinc/94/48/64/558944864.db2.gz BBXNJFCECQSPNK-UHFFFAOYSA-N 1 0 370.478 2.457 20 30 FEEDRO CN(C)c1noc([C@H]2CCC[N@H+](CCC(=O)Nc3ccccc3C#N)C2)n1 ZINC000411692632 558945466 /nfs/dbraw/zinc/94/54/66/558945466.db2.gz POPVKQOCZGIZOW-HNNXBMFYSA-N 1 0 368.441 2.215 20 30 FEEDRO CC[C@H]1Oc2cc([C@@H](C)[NH2+]CC(=O)NC3(C#N)CCC3)ccc2NC1=O ZINC000525885983 562258530 /nfs/dbraw/zinc/25/85/30/562258530.db2.gz ZVJALOAFFFUZRZ-IUODEOHRSA-N 1 0 356.426 2.009 20 30 FEEDRO C=CCNC(=O)NC(=O)C[NH2+][C@@H](c1ccccc1)C1(CO)CCCCC1 ZINC000412003765 559001404 /nfs/dbraw/zinc/00/14/04/559001404.db2.gz BFYLEKSBHSJGRN-SFHVURJKSA-N 1 0 359.470 2.272 20 30 FEEDRO CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@@H](c1ccccc1)C1(CO)CCOCC1 ZINC000412010490 559002073 /nfs/dbraw/zinc/00/20/73/559002073.db2.gz QRBBGCVHLBHYEY-VQTJNVASSA-N 1 0 373.497 2.161 20 30 FEEDRO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2C[C@@H]3CC[C@H](O)C[C@@H]3C2)cc1 ZINC000412046874 559006349 /nfs/dbraw/zinc/00/63/49/559006349.db2.gz UYXPKCVDYCYAPV-SCTDSRPQSA-N 1 0 371.481 2.425 20 30 FEEDRO CC(C)(CC#N)CNC(=O)NCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000413609448 559120344 /nfs/dbraw/zinc/12/03/44/559120344.db2.gz PMMLVRPELSKZNS-UHFFFAOYSA-N 1 0 358.486 2.253 20 30 FEEDRO Cc1cc(S(=O)(=O)N[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)ccc1C#N ZINC000414467604 559166248 /nfs/dbraw/zinc/16/62/48/559166248.db2.gz WPNHZCGDFQOWNK-MOPGFXCFSA-N 1 0 355.463 2.243 20 30 FEEDRO Cc1cc(S(=O)(=O)N[C@@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)ccc1C#N ZINC000414467610 559166263 /nfs/dbraw/zinc/16/62/63/559166263.db2.gz WPNHZCGDFQOWNK-RTBURBONSA-N 1 0 355.463 2.243 20 30 FEEDRO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCC[C@H](CNC(=O)c2ccccc2)C1 ZINC000527048442 562274548 /nfs/dbraw/zinc/27/45/48/562274548.db2.gz SRFDRPDFHKGIBF-DLBZAZTESA-N 1 0 368.481 2.079 20 30 FEEDRO N#Cc1ccc(N2C[C@@H](c3nc(C4([NH3+])CCC4)no3)CC2=O)cc1Cl ZINC000414629183 559176473 /nfs/dbraw/zinc/17/64/73/559176473.db2.gz PYRIXSJTAGXKSF-NSHDSACASA-N 1 0 357.801 2.453 20 30 FEEDRO C[NH2+][C@@H](C)Cc1noc(COc2ccc(C#N)c(Br)c2)n1 ZINC000414646194 559176919 /nfs/dbraw/zinc/17/69/19/559176919.db2.gz OTKQYMIUXQSONA-VIFPVBQESA-N 1 0 351.204 2.433 20 30 FEEDRO CC[NH2+]Cc1cccc(NC(=O)C(=O)N(C)Cc2ccc(C#N)cc2)c1 ZINC000414729203 559182800 /nfs/dbraw/zinc/18/28/00/559182800.db2.gz QAZWTYXPRIZGJH-UHFFFAOYSA-N 1 0 350.422 2.265 20 30 FEEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(CC[NH3+])CCO ZINC000415125213 559206647 /nfs/dbraw/zinc/20/66/47/559206647.db2.gz OYACXCVUDHAPBL-UHFFFAOYSA-N 1 0 368.437 2.231 20 30 FEEDRO COc1cccc(C[N@H+](CC(=O)NC2(C#N)CCC2)C2CCC(O)CC2)c1 ZINC000527127508 562277287 /nfs/dbraw/zinc/27/72/87/562277287.db2.gz JTAAHEVRJWQMSW-UHFFFAOYSA-N 1 0 371.481 2.363 20 30 FEEDRO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)Nc2ccccc2S[C@H](C)CC#N)C1 ZINC000415282883 559221042 /nfs/dbraw/zinc/22/10/42/559221042.db2.gz NLTCKKWFZJNBCQ-HUUCEWRRSA-N 1 0 374.510 2.477 20 30 FEEDRO C[NH2+][C@@H]1CCN(C(=O)C(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)C)C3)C1 ZINC000415305291 559222527 /nfs/dbraw/zinc/22/25/27/559222527.db2.gz VFWQXTXGLSFPSH-CHWSQXEVSA-N 1 0 374.510 2.139 20 30 FEEDRO O=C(NCC[C@H]1CC[NH2+]C1)C(=O)Nc1ccccc1C#Cc1ccccc1 ZINC000415393913 559230797 /nfs/dbraw/zinc/23/07/97/559230797.db2.gz LMPPPTSFMXPNSH-GOSISDBHSA-N 1 0 361.445 2.141 20 30 FEEDRO CC(C)[C@H](C(=O)OC(C)(C)C)N1CC[C@@H]([NH2+]CCC(C)(C)C#N)C1=O ZINC000527193835 562279623 /nfs/dbraw/zinc/27/96/23/562279623.db2.gz YJUJSMKJJCSMFF-HUUCEWRRSA-N 1 0 351.491 2.483 20 30 FEEDRO N#Cc1ccc(-n2ccc(NC(=O)NC3(C[NH3+])CCCC3)n2)c(Cl)c1 ZINC000415436622 559236666 /nfs/dbraw/zinc/23/66/66/559236666.db2.gz BPGURBRPWFECFW-UHFFFAOYSA-N 1 0 358.833 2.790 20 30 FEEDRO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)CC[NH2+]1 ZINC000415437241 559236765 /nfs/dbraw/zinc/23/67/65/559236765.db2.gz OZCBYOUYJCEAOI-CQSZACIVSA-N 1 0 364.405 2.109 20 30 FEEDRO C[C@@H]1CN(C(=O)C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)CC[NH2+]1 ZINC000415442924 559237439 /nfs/dbraw/zinc/23/74/39/559237439.db2.gz SZQBTSVOONYJSB-CQSZACIVSA-N 1 0 364.405 2.109 20 30 FEEDRO N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)NC[C@H]2CCC[C@H]([NH3+])C2)n1 ZINC000415460545 559239430 /nfs/dbraw/zinc/23/94/30/559239430.db2.gz NKAXVLMBDPWKJB-WFASDCNBSA-N 1 0 372.860 3.036 20 30 FEEDRO C[NH2+]C[C@@H]1CCCN1C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 ZINC000415468321 559240340 /nfs/dbraw/zinc/24/03/40/559240340.db2.gz WDWIBVAEIDORHA-ZDUSSCGKSA-N 1 0 358.833 2.613 20 30 FEEDRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 ZINC000415467138 559240426 /nfs/dbraw/zinc/24/04/26/559240426.db2.gz VDTAWDWFNANNJO-YPMHNXCESA-N 1 0 358.833 2.598 20 30 FEEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000415487832 559242406 /nfs/dbraw/zinc/24/24/06/559242406.db2.gz UTUQMPUJFNZXKC-CYBMUJFWSA-N 1 0 362.499 2.463 20 30 FEEDRO CCC[NH2+]CCNC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000415519800 559246064 /nfs/dbraw/zinc/24/60/64/559246064.db2.gz PZFZHJCUXTZIRL-UHFFFAOYSA-N 1 0 366.421 2.405 20 30 FEEDRO N#CCc1ccc(NC(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)c(Cl)c1 ZINC000415524369 559246479 /nfs/dbraw/zinc/24/64/79/559246479.db2.gz RYFJOHLFMNTNLN-INIZCTEOSA-N 1 0 374.872 2.335 20 30 FEEDRO N#Cc1ccccc1Oc1ccc(NC(=O)C(=O)NC[C@@H]([NH3+])C2CC2)cc1 ZINC000415535255 559247340 /nfs/dbraw/zinc/24/73/40/559247340.db2.gz CJZWCVYEAAHYMH-QGZVFWFLSA-N 1 0 364.405 2.143 20 30 FEEDRO N#Cc1ccc(Cl)c(NC(=O)C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)c1 ZINC000415535963 559247472 /nfs/dbraw/zinc/24/74/72/559247472.db2.gz DUEGIQSGHLHNPG-OAHLLOKOSA-N 1 0 360.845 2.141 20 30 FEEDRO CC[NH2+][C@H](C)CNC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N ZINC000415552397 559248894 /nfs/dbraw/zinc/24/88/94/559248894.db2.gz ATQLOSJSGAYNBY-CQSZACIVSA-N 1 0 357.458 2.389 20 30 FEEDRO N#CCCCN1c2ccc(NC(=O)NC[C@@H]([NH3+])C3CC3)cc2CCC1=O ZINC000415564374 559250102 /nfs/dbraw/zinc/25/01/02/559250102.db2.gz QCUNJGBFOXHZOE-MRXNPFEDSA-N 1 0 355.442 2.128 20 30 FEEDRO C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)NC[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000415601634 559254207 /nfs/dbraw/zinc/25/42/07/559254207.db2.gz PXJSYYAVUNUYPY-RDBSUJKOSA-N 1 0 364.471 2.011 20 30 FEEDRO N#CCc1ccc(NC(=O)C(=O)N2CCC3(CC[NH2+]CC3)CC2)c(Cl)c1 ZINC000415643000 559257587 /nfs/dbraw/zinc/25/75/87/559257587.db2.gz PNOXXEBOLXRWBH-UHFFFAOYSA-N 1 0 374.872 2.337 20 30 FEEDRO C[N@@H+]1CCC[C@@H](CNC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)C1 ZINC000527224836 562281101 /nfs/dbraw/zinc/28/11/01/562281101.db2.gz JCWRWDURJOYYMU-KRWDZBQOSA-N 1 0 356.470 2.453 20 30 FEEDRO CO[C@@H]1CCN(C(=O)Nc2ccc(C#N)c(Br)c2)[C@H](C[NH3+])C1 ZINC000415687018 559261874 /nfs/dbraw/zinc/26/18/74/559261874.db2.gz FCOKELPRAPZOOX-QWHCGFSZSA-N 1 0 367.247 2.291 20 30 FEEDRO C[C@H](CCCC[NH3+])NC(=O)C(=O)Nc1sc(C(C)(C)C)cc1C#N ZINC000415740094 559266531 /nfs/dbraw/zinc/26/65/31/559266531.db2.gz IAMFWBDIBOPXGR-LLVKDONJSA-N 1 0 350.488 2.489 20 30 FEEDRO O=C(Nc1ccccc1C#Cc1ccccc1)C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000415775829 559270133 /nfs/dbraw/zinc/27/01/33/559270133.db2.gz HFQNPCKSRYBHGL-UXHICEINSA-N 1 0 373.456 2.235 20 30 FEEDRO CC(C)[C@@H]1CCc2c(sc(NC(=O)C(=O)N[C@@H](C)[C@H](C)[NH3+])c2C#N)C1 ZINC000415800494 559272340 /nfs/dbraw/zinc/27/23/40/559272340.db2.gz FCMLNTULJHVLGR-SDDRHHMPSA-N 1 0 362.499 2.171 20 30 FEEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000415822667 559275124 /nfs/dbraw/zinc/27/51/24/559275124.db2.gz MYNXFXZIPKUENL-CYBMUJFWSA-N 1 0 360.483 2.087 20 30 FEEDRO Cc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000415830478 559276182 /nfs/dbraw/zinc/27/61/82/559276182.db2.gz MEOSFZULKQJVIN-KRWDZBQOSA-N 1 0 350.422 2.402 20 30 FEEDRO O=C(Nc1cccc(C#Cc2ccccc2)c1)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000415865924 559279748 /nfs/dbraw/zinc/27/97/48/559279748.db2.gz JGYPDFBHLCTINO-PMACEKPBSA-N 1 0 373.456 2.093 20 30 FEEDRO C=C(C)COc1cccc(NC(=O)C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000415875149 559280505 /nfs/dbraw/zinc/28/05/05/559280505.db2.gz YEPUSPKYNBERAS-ZMSDIMECSA-N 1 0 357.454 2.084 20 30 FEEDRO C=CCN1CC[C@@H](N(C)C(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)C1=O ZINC000415969952 559285914 /nfs/dbraw/zinc/28/59/14/559285914.db2.gz KTIPASHNFUFKCC-CQSZACIVSA-N 1 0 370.375 2.415 20 30 FEEDRO CN(C(=O)c1ccc(-n2ncc(C#N)c2N)cc1)C(C)(C)C[NH+]1CCCC1 ZINC000416333123 559306169 /nfs/dbraw/zinc/30/61/69/559306169.db2.gz KIKMWLXNGNFELN-UHFFFAOYSA-N 1 0 366.469 2.273 20 30 FEEDRO CC[N@H+](CCNS(=O)(=O)c1cc(Br)ccc1C#N)C(C)C ZINC000416476688 559316027 /nfs/dbraw/zinc/31/60/27/559316027.db2.gz YWLOYJLDXOVZOD-UHFFFAOYSA-N 1 0 374.304 2.329 20 30 FEEDRO C[NH+](C)CCN(Cc1ccsc1)S(=O)(=O)c1ccc(C#N)s1 ZINC000416548221 559321032 /nfs/dbraw/zinc/32/10/32/559321032.db2.gz BFOMWELWPBVKBF-UHFFFAOYSA-N 1 0 355.510 2.434 20 30 FEEDRO O=C(NCC#Cc1cccc(C(F)(F)F)c1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000416956660 559340187 /nfs/dbraw/zinc/34/01/87/559340187.db2.gz YDXWTPQEQAUBPX-ZBFHGGJFSA-N 1 0 351.372 2.450 20 30 FEEDRO C[C@@H]1CCN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)C[C@H]1C[NH3+] ZINC000417573279 559367273 /nfs/dbraw/zinc/36/72/73/559367273.db2.gz HDLQRBWXXOSYFM-DJIMGWMZSA-N 1 0 373.476 2.292 20 30 FEEDRO N#Cc1ccc(N2CCC[C@H](NC(=O)N[C@H]3CC[C@@H](C[NH3+])C3)C2)c(F)c1 ZINC000417573404 559367304 /nfs/dbraw/zinc/36/73/04/559367304.db2.gz HPTQNTRONQNQLM-KBMXLJTQSA-N 1 0 359.449 2.093 20 30 FEEDRO C[C@@H]1[NH2+]CCN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)[C@H]1C ZINC000417580675 559367537 /nfs/dbraw/zinc/36/75/37/559367537.db2.gz RKCCMHJOYSJFSN-DZKIICNBSA-N 1 0 359.449 2.058 20 30 FEEDRO N#Cc1ccc(N2CCC[C@H](NC(=O)N3CCC[C@@H](CC[NH3+])C3)C2)c(F)c1 ZINC000417580957 559367643 /nfs/dbraw/zinc/36/76/43/559367643.db2.gz RWVDHKJNDDTXQZ-RDJZCZTQSA-N 1 0 373.476 2.437 20 30 FEEDRO N#Cc1ccccc1OC1CCC(NC(=O)NCC(F)(F)CN)CC1 ZINC000417598810 559368844 /nfs/dbraw/zinc/36/88/44/559368844.db2.gz GMOVVTJMXSJMFP-UHFFFAOYSA-N 1 0 352.385 2.141 20 30 FEEDRO N#Cc1c(F)cccc1N1CCN(C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000418433886 559401546 /nfs/dbraw/zinc/40/15/46/559401546.db2.gz VIEMROSBFRIWAH-PBHICJAKSA-N 1 0 359.449 2.046 20 30 FEEDRO N#C[C@@H]1CN(C(=O)NC[C@@H]([NH3+])c2ccccc2)CCN1Cc1ccccc1 ZINC000418456545 559402326 /nfs/dbraw/zinc/40/23/26/559402326.db2.gz TVKXRVFIWRKAJC-WOJBJXKFSA-N 1 0 363.465 2.106 20 30 FEEDRO N#Cc1ccc(N2CCN(C(=O)NC[C@@H]3CCC[C@H]([NH3+])C3)CC2)c(F)c1 ZINC000418732769 559412995 /nfs/dbraw/zinc/41/29/95/559412995.db2.gz UVNPMKYSNOCTHH-CVEARBPZSA-N 1 0 359.449 2.046 20 30 FEEDRO N#Cc1cccc(NC(=O)C2CCN(C(=O)N[C@H]3CC[C@H](C[NH3+])C3)CC2)c1 ZINC000418795668 559416464 /nfs/dbraw/zinc/41/64/64/559416464.db2.gz SFXWPJTUNKZKRS-YJBOKZPZSA-N 1 0 369.469 2.046 20 30 FEEDRO C[C@@H]1C[N@H+](CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)[C@@H](C)[C@H]1C ZINC000419382941 559440251 /nfs/dbraw/zinc/44/02/51/559440251.db2.gz ZMSXDGOEJRPPET-LTIDMASMSA-N 1 0 360.527 2.433 20 30 FEEDRO CC[NH+]1CCN(Cc2ccc(CNC(=O)NCC3(C#N)CCC3)cc2)CC1 ZINC000419407953 559440997 /nfs/dbraw/zinc/44/09/97/559440997.db2.gz LARCYCMCEHHQGX-UHFFFAOYSA-N 1 0 369.513 2.317 20 30 FEEDRO N#CC1(CNC(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)CCC1 ZINC000419413221 559441097 /nfs/dbraw/zinc/44/10/97/559441097.db2.gz DFJPMTPHZUVXRB-UHFFFAOYSA-N 1 0 355.486 2.192 20 30 FEEDRO C=CCC[C@@H](NC(=O)C(=O)N[C@H]1CC[NH2+]C1)c1ccc(C(F)(F)F)cc1 ZINC000419474912 559444225 /nfs/dbraw/zinc/44/42/25/559444225.db2.gz NNFPMBPKXGQCPI-LSDHHAIUSA-N 1 0 369.387 2.307 20 30 FEEDRO C=CCC[C@H](NC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1)c1ccccc1 ZINC000419661518 559452391 /nfs/dbraw/zinc/45/23/91/559452391.db2.gz FOCJWASPCHXDNN-MANSERQUSA-N 1 0 355.482 2.396 20 30 FEEDRO C=C(C)[C@@H](NC(=O)C(=O)N(CCC)[C@H]1CC[NH2+]C1)c1ccc(F)c(F)c1 ZINC000419668958 559452919 /nfs/dbraw/zinc/45/29/19/559452919.db2.gz BCPFYUBTHWMBEI-WMLDXEAASA-N 1 0 365.424 2.299 20 30 FEEDRO C=C(C)[C@@H](NC(=O)C(=O)N[C@H](C[NH3+])CC(C)C)c1ccc(F)c(F)c1 ZINC000419678999 559453513 /nfs/dbraw/zinc/45/35/13/559453513.db2.gz OXCPNLSJNAOJQP-XJKSGUPXSA-N 1 0 353.413 2.188 20 30 FEEDRO N#Cc1cc(S(=O)(=O)NCCC[C@H]2CCC[NH2+]2)ccc1C(F)(F)F ZINC000420455278 559488326 /nfs/dbraw/zinc/48/83/26/559488326.db2.gz ZNIYIYYGWWHAKL-GFCCVEGCSA-N 1 0 361.389 2.388 20 30 FEEDRO C[C@@H]1CCN(S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)C[C@@H]1C[NH3+] ZINC000420482691 559489784 /nfs/dbraw/zinc/48/97/84/559489784.db2.gz URLLMUXYLZUDFC-PWSUYJOCSA-N 1 0 361.389 2.182 20 30 FEEDRO CCOC(=O)c1c(NC(=O)N2CC[NH+](CC3CC3)CC2)c(C#N)cn1CC ZINC000421146706 559526574 /nfs/dbraw/zinc/52/65/74/559526574.db2.gz CKEJNZXUGRWVIN-UHFFFAOYSA-N 1 0 373.457 2.116 20 30 FEEDRO C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000421508533 559544052 /nfs/dbraw/zinc/54/40/52/559544052.db2.gz FIOCWNZBMZSYDQ-MJGOQNOKSA-N 1 0 357.498 2.138 20 30 FEEDRO CC[NH+]1CCC(N2CCCN(C(=O)c3cccc(C#N)c3C)CC2)CC1 ZINC000422014077 559560651 /nfs/dbraw/zinc/56/06/51/559560651.db2.gz FXJDZGPXPZRHFL-UHFFFAOYSA-N 1 0 354.498 2.499 20 30 FEEDRO C[NH+](C)C1CCC(NC(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)CC1 ZINC000422246535 559573251 /nfs/dbraw/zinc/57/32/51/559573251.db2.gz SSZVKTVIMHRVIM-MHJFOBGBSA-N 1 0 369.513 2.279 20 30 FEEDRO C=C(C)CN(Cc1ccccc1)C(=O)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000422487859 559591349 /nfs/dbraw/zinc/59/13/49/559591349.db2.gz IWCCKEIUTGXBDN-IBGZPJMESA-N 1 0 357.498 2.439 20 30 FEEDRO C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000422520718 559592545 /nfs/dbraw/zinc/59/25/45/559592545.db2.gz CFUDUZUABCQCOR-WOJBJXKFSA-N 1 0 369.509 2.377 20 30 FEEDRO C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N1CCCC12CC[NH+](C)CC2 ZINC000422528017 559593051 /nfs/dbraw/zinc/59/30/51/559593051.db2.gz MWBYFGWTNHVAQO-LJQANCHMSA-N 1 0 369.509 2.377 20 30 FEEDRO C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000422530688 559593165 /nfs/dbraw/zinc/59/31/65/559593165.db2.gz RFJBUHQRVZTDSB-RLLQIKCJSA-N 1 0 371.525 2.479 20 30 FEEDRO C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000422533402 559593384 /nfs/dbraw/zinc/59/33/84/559593384.db2.gz XCIKRXXOLZZZRS-OALUTQOASA-N 1 0 357.498 2.090 20 30 FEEDRO C=CCN(Cc1ccccc1)C(=O)C(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000423130783 559620225 /nfs/dbraw/zinc/62/02/25/559620225.db2.gz YZXHPWJGQVPJIH-RTBURBONSA-N 1 0 355.482 2.049 20 30 FEEDRO CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)[C@H]([NH3+])CCCC#N ZINC000424084386 559654397 /nfs/dbraw/zinc/65/43/97/559654397.db2.gz YFKPYYLJHBMXKF-GFCCVEGCSA-N 1 0 370.375 2.302 20 30 FEEDRO Cc1ccc(C(=O)NCC(F)(F)F)cc1NC(=O)[C@@H]([NH3+])CCCC#N ZINC000424096733 559654750 /nfs/dbraw/zinc/65/47/50/559654750.db2.gz YMSUFSZYSNWPAH-LBPRGKRZSA-N 1 0 356.348 2.247 20 30 FEEDRO COc1ccc(Cn2ncc(C)c2NC(=O)[C@H]([NH3+])CCCC#N)cc1OC ZINC000424101856 559654813 /nfs/dbraw/zinc/65/48/13/559654813.db2.gz KNKNWQOUYXLUIZ-OAHLLOKOSA-N 1 0 371.441 2.217 20 30 FEEDRO COc1cc(N[C@@H]2CCCN(C(=O)[C@H]([NH3+])CCCC#N)C2)cc(OC)c1 ZINC000424165110 559656519 /nfs/dbraw/zinc/65/65/19/559656519.db2.gz DJQVGUYJOWANPO-RDTXWAMCSA-N 1 0 360.458 2.128 20 30 FEEDRO CCN1CC[C@H](NC(=O)[C@@H]([NH3+])CCCC#N)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000424178535 559656883 /nfs/dbraw/zinc/65/68/83/559656883.db2.gz WVXWKXIGWKOIHE-YQQAZPJKSA-N 1 0 368.403 2.377 20 30 FEEDRO N#CCCC[C@H]([NH3+])C(=O)N[C@H](c1nc[nH]n1)c1cccc(C(F)(F)F)c1 ZINC000424192380 559657265 /nfs/dbraw/zinc/65/72/65/559657265.db2.gz SCTWTEZVRWUQRX-STQMWFEESA-N 1 0 366.347 2.050 20 30 FEEDRO C=CCC1(C(=O)N2CCCN(C3CC[NH+](CC)CC3)CC2)CCOCC1 ZINC000424874247 559679083 /nfs/dbraw/zinc/67/90/83/559679083.db2.gz BQGMZYIBVRUOPD-UHFFFAOYSA-N 1 0 363.546 2.378 20 30 FEEDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N(C)[C@@H](C)c2cccc(C#N)c2)C1 ZINC000425386695 559699429 /nfs/dbraw/zinc/69/94/29/559699429.db2.gz POYVCMCKIOUUPY-WMZOPIPTSA-N 1 0 370.497 2.268 20 30 FEEDRO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N(C)[C@H](C)c2cccc(C#N)c2)C1 ZINC000425389425 559699728 /nfs/dbraw/zinc/69/97/28/559699728.db2.gz USCZDBZJGFKVEW-QAPCUYQASA-N 1 0 356.470 2.020 20 30 FEEDRO C=CCn1cc(CNC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)nn1 ZINC000425469987 559703894 /nfs/dbraw/zinc/70/38/94/559703894.db2.gz FGMUZBQUSDKQHH-AEFFLSMTSA-N 1 0 368.485 2.316 20 30 FEEDRO C=CCn1cc(CNC(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)nn1 ZINC000425567402 559710115 /nfs/dbraw/zinc/71/01/15/559710115.db2.gz SJSXUDJXARFZRW-YOEHRIQHSA-N 1 0 374.514 2.408 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC[C@@H](n2ccnn2)C1)C(C)C ZINC000425659882 559713509 /nfs/dbraw/zinc/71/35/09/559713509.db2.gz WQPSJCICSQWQJB-QZTJIDSGSA-N 1 0 360.506 2.323 20 30 FEEDRO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000425878670 559723735 /nfs/dbraw/zinc/72/37/35/559723735.db2.gz DKEZYRVJIJXGMH-AQXGTKIOSA-N 1 0 368.481 2.209 20 30 FEEDRO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)NC1CCC([NH+](C)C)CC1 ZINC000425910523 559725071 /nfs/dbraw/zinc/72/50/71/559725071.db2.gz WHDWXKUUTZNTLN-NNGSBXSVSA-N 1 0 356.470 2.067 20 30 FEEDRO C=CCN1CCC([NH2+][C@H](C)Cn2cc(Br)ccc2=O)CC1 ZINC000428230022 559771932 /nfs/dbraw/zinc/77/19/32/559771932.db2.gz OEUKJIGCPFMLKD-CYBMUJFWSA-N 1 0 354.292 2.239 20 30 FEEDRO N#Cc1ncccc1S(=O)(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000428402082 559774691 /nfs/dbraw/zinc/77/46/91/559774691.db2.gz MVSRTKJHUVHDDW-UHFFFAOYSA-N 1 0 362.499 2.230 20 30 FEEDRO C[C@H]1CN(C(=O)c2cccc(Nc3ccc(C#N)cc3)c2)CCN1CCO ZINC000428523725 559777160 /nfs/dbraw/zinc/77/71/60/559777160.db2.gz ROWNVZYTGZPFFL-INIZCTEOSA-N 1 0 364.449 2.440 20 30 FEEDRO C[C@@H]([NH2+]CC1(CC#N)CC1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000430738281 559827322 /nfs/dbraw/zinc/82/73/22/559827322.db2.gz AMYZKEKRBKQFKJ-OAHLLOKOSA-N 1 0 363.483 2.052 20 30 FEEDRO N#Cc1cscc1C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000432057948 559851159 /nfs/dbraw/zinc/85/11/59/559851159.db2.gz RYHVTDMNFPZBOT-UHFFFAOYSA-N 1 0 354.479 2.167 20 30 FEEDRO CCc1nnc(N2CCN(C3CC[NH+](C(C)C)CC3)CC2)c(C#N)c1CC ZINC000433526475 559883709 /nfs/dbraw/zinc/88/37/09/559883709.db2.gz VRJPDGVAUXZIOU-UHFFFAOYSA-N 1 0 370.545 2.468 20 30 FEEDRO C[C@H]1C[C@H](NS(=O)(=O)c2ccc(C#N)c(Br)c2)CC[N@@H+]1C ZINC000433869689 559889156 /nfs/dbraw/zinc/88/91/56/559889156.db2.gz NCQMVPNHEUDZBO-CMPLNLGQSA-N 1 0 372.288 2.082 20 30 FEEDRO C[C@H]1C[C@@H](NS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)CC[N@@H+]1C ZINC000435155387 559917298 /nfs/dbraw/zinc/91/72/98/559917298.db2.gz LAPPDHHIFWHBAD-JQWIXIFHSA-N 1 0 361.389 2.338 20 30 FEEDRO C[C@H]1C[C@H](NS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)CC[N@@H+]1C ZINC000435155386 559917441 /nfs/dbraw/zinc/91/74/41/559917441.db2.gz LAPPDHHIFWHBAD-CMPLNLGQSA-N 1 0 361.389 2.338 20 30 FEEDRO CN(CC[NH2+]Cc1cc(C#N)cs1)S(=O)(=O)c1ccc(F)cc1 ZINC000435746688 559929402 /nfs/dbraw/zinc/92/94/02/559929402.db2.gz AQVDTUVLXKISRM-UHFFFAOYSA-N 1 0 353.444 2.169 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NC[C@@H](C(CC)CC)[NH+]1CCOCC1 ZINC000437626281 559967021 /nfs/dbraw/zinc/96/70/21/559967021.db2.gz IIGIBKNPQZMBHC-QYZOEREBSA-N 1 0 367.534 2.404 20 30 FEEDRO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCC[C@](COC)(C(=O)OCC)C1 ZINC000439479462 559995020 /nfs/dbraw/zinc/99/50/20/559995020.db2.gz SKDZLXDUEBXRPX-APWZRJJASA-N 1 0 354.491 2.091 20 30 FEEDRO CCC[NH+]1CCC(N(C)S(=O)(=O)Cc2ccc(C#N)cc2F)CC1 ZINC000440072496 560004168 /nfs/dbraw/zinc/00/41/68/560004168.db2.gz LWEGVZPKGHMTDV-UHFFFAOYSA-N 1 0 353.463 2.333 20 30 FEEDRO C[NH+](C)CCCOC1CCN(C(=O)NCC2CCC(C#N)CC2)CC1 ZINC000442736820 560055602 /nfs/dbraw/zinc/05/56/02/560055602.db2.gz JPMNTMUJLURHBK-UHFFFAOYSA-N 1 0 350.507 2.459 20 30 FEEDRO COc1cc(C[N@H+](C)[C@@H](C)c2ccc(S(N)(=O)=O)cc2)ccc1C#N ZINC000442806055 560057969 /nfs/dbraw/zinc/05/79/69/560057969.db2.gz BLEIDJPHVBXONI-ZDUSSCGKSA-N 1 0 359.451 2.407 20 30 FEEDRO C[C@@H]1C[C@H](NS(=O)(=O)c2cc(Br)cc(C#N)c2)CC[N@@H+]1C ZINC000443468409 560084628 /nfs/dbraw/zinc/08/46/28/560084628.db2.gz OCNIYGBAYGSSFN-ZWNOBZJWSA-N 1 0 372.288 2.082 20 30 FEEDRO C[C@H](CC[NH+](C)C)NC(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000444152128 560103209 /nfs/dbraw/zinc/10/32/09/560103209.db2.gz VDKMJRLJKFMHSF-CQSZACIVSA-N 1 0 363.893 2.383 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1cccc(Cn2cncn2)c1 ZINC000444393127 560112943 /nfs/dbraw/zinc/11/29/43/560112943.db2.gz AOPAFSMEBXKKAI-UHFFFAOYSA-N 1 0 355.446 2.026 20 30 FEEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@@H](CO)[C@@H]1CCCO1 ZINC000447914906 560172788 /nfs/dbraw/zinc/17/27/88/560172788.db2.gz QEINKXNVTLZOMV-KBMXLJTQSA-N 1 0 363.483 2.006 20 30 FEEDRO CC(C)[NH+](CCNC(=O)C1CCN(C(=O)[C@]2(C#N)C[C@H]2C)CC1)C(C)C ZINC000448805819 560200404 /nfs/dbraw/zinc/20/04/04/560200404.db2.gz PYZBBFHPYSZIKS-UZLBHIALSA-N 1 0 362.518 2.010 20 30 FEEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(N2CCC2)nc1 ZINC000448816628 560200965 /nfs/dbraw/zinc/20/09/65/560200965.db2.gz RPXFIIGJFBZGIU-UHFFFAOYSA-N 1 0 363.465 2.367 20 30 FEEDRO Cc1[nH]c(C#N)cc1C(=O)Nc1ccccc1C(=O)N1CCC[N@@H+](C)CC1 ZINC000448855725 560203049 /nfs/dbraw/zinc/20/30/49/560203049.db2.gz ZNJBMIONDJVWPD-UHFFFAOYSA-N 1 0 365.437 2.225 20 30 FEEDRO C[C@H]1CC[N@H+](C)CCN1C(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 ZINC000448982118 560210280 /nfs/dbraw/zinc/21/02/80/560210280.db2.gz WIUVMTRLOOCMMK-ZFWWWQNUSA-N 1 0 374.872 2.117 20 30 FEEDRO C[C@H]1C[C@H](NC(=O)COc2cccc(Br)c2C#N)CC[N@@H+]1C ZINC000449938645 560245793 /nfs/dbraw/zinc/24/57/93/560245793.db2.gz GLZJPYAZUYYHLT-NWDGAFQWSA-N 1 0 366.259 2.298 20 30 FEEDRO C[C@H]1CN(C(=O)COc2cccc(Br)c2C#N)C[C@@H]1[NH+](C)C ZINC000449988287 560247428 /nfs/dbraw/zinc/24/74/28/560247428.db2.gz SCTREWLMLVWNKJ-FZMZJTMJSA-N 1 0 366.259 2.108 20 30 FEEDRO Cc1ccc([C@H](CNC(=O)c2ccc(C#N)n2C)N2CCOCC2)s1 ZINC000450045624 560249113 /nfs/dbraw/zinc/24/91/13/560249113.db2.gz QZFKWQVLFCHXGA-INIZCTEOSA-N 1 0 358.467 2.070 20 30 FEEDRO CS[C@@H]1CN(C(=O)c2cccc(C#N)c2Br)C[C@H]1[NH+](C)C ZINC000450265958 560256359 /nfs/dbraw/zinc/25/63/59/560256359.db2.gz MMMHQYKBIALQJD-CHWSQXEVSA-N 1 0 368.300 2.438 20 30 FEEDRO CC(C)[N@@H+]1CCO[C@H](CN2CCN(c3cccc(Cl)c3C#N)CC2)C1 ZINC000450316596 560258271 /nfs/dbraw/zinc/25/82/71/560258271.db2.gz ZGRDAOLYMSODLH-MRXNPFEDSA-N 1 0 362.905 2.443 20 30 FEEDRO C[C@@H]1CN(C(=O)COc2cccc(Br)c2C#N)[C@@H](C)C[N@@H+]1C ZINC000450347679 560259442 /nfs/dbraw/zinc/25/94/42/560259442.db2.gz IRWQDADSQPYOHB-NEPJUHHUSA-N 1 0 366.259 2.251 20 30 FEEDRO C[C@@H]1[C@H](NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CCC[N@@H+]1C ZINC000450559070 560266228 /nfs/dbraw/zinc/26/62/28/560266228.db2.gz XJUKLYHBRHYKMI-SUYBPPKGSA-N 1 0 374.872 2.163 20 30 FEEDRO C[NH+](C)CC[C@H](NS(=O)(=O)Cc1ccc(F)cc1C#N)C(C)(C)C ZINC000451210185 560293206 /nfs/dbraw/zinc/29/32/06/560293206.db2.gz QWYQNHOGMVLLNF-INIZCTEOSA-N 1 0 355.479 2.483 20 30 FEEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH2+][C@H]1CCOC1(C)C ZINC000451236316 560294967 /nfs/dbraw/zinc/29/49/67/560294967.db2.gz NYYRLRMXGIVCRE-INIZCTEOSA-N 1 0 362.474 2.109 20 30 FEEDRO N#Cc1ccc(OCC(=O)NCC[N@H+]2CC=CCC2)cc1Br ZINC000451354068 560302080 /nfs/dbraw/zinc/30/20/80/560302080.db2.gz QIKHZZARJWQFQG-UHFFFAOYSA-N 1 0 364.243 2.078 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]CC(=O)N(CC)Cc1ccc(OC)c(OC)c1 ZINC000451670325 560321061 /nfs/dbraw/zinc/32/10/61/560321061.db2.gz CQDOHEPMZMRKTK-SJORKVTESA-N 1 0 362.470 2.376 20 30 FEEDRO C=CCn1c(N2CC[N@H+](CCOC)[C@H](CC)C2)nnc1[C@]1(C)CCCO1 ZINC000453447457 560386863 /nfs/dbraw/zinc/38/68/63/560386863.db2.gz XKGSDNSPDAHQHT-APWZRJJASA-N 1 0 363.506 2.037 20 30 FEEDRO C[NH+](C)C[C@H](NC(=O)C(=O)Nc1cccc(CC#N)c1)c1ccccc1 ZINC000453592968 560390125 /nfs/dbraw/zinc/39/01/25/560390125.db2.gz RVBSNDGCSBOWJD-SFHVURJKSA-N 1 0 350.422 2.110 20 30 FEEDRO C[NH+]1CCC(CNC(=O)C(=O)Nc2sc(C(C)(C)C)cc2C#N)CC1 ZINC000453646978 560393189 /nfs/dbraw/zinc/39/31/89/560393189.db2.gz CIZDOGOIVQNWNB-UHFFFAOYSA-N 1 0 362.499 2.314 20 30 FEEDRO C[C@H](CNC(=O)C(=O)Nc1cccc(CC#N)c1)[N@H+](C)Cc1ccccc1 ZINC000453672245 560395452 /nfs/dbraw/zinc/39/54/52/560395452.db2.gz LKOKGCJELHEKQG-MRXNPFEDSA-N 1 0 364.449 2.328 20 30 FEEDRO Cc1cc(C#N)cc(NC(=O)C(=O)NC[C@@H]2CCCC[N@H+]2CC(C)C)c1 ZINC000453675067 560395736 /nfs/dbraw/zinc/39/57/36/560395736.db2.gz RLWACYWVLLPMMU-SFHVURJKSA-N 1 0 356.470 2.432 20 30 FEEDRO Cc1cc(C#N)cc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)c1 ZINC000453688834 560396882 /nfs/dbraw/zinc/39/68/82/560396882.db2.gz HNUQASLQIFZWGD-RBUKOAKNSA-N 1 0 362.433 2.367 20 30 FEEDRO C=CCN(C)C(=O)C(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1 ZINC000453690326 560396996 /nfs/dbraw/zinc/39/69/96/560396996.db2.gz IEAMNKMUHURYLF-UHFFFAOYSA-N 1 0 365.861 2.396 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](C)C(=O)NCCc2ccccc2)CC1 ZINC000454455455 560445169 /nfs/dbraw/zinc/44/51/69/560445169.db2.gz CDGNPVIEHQFREC-KRWDZBQOSA-N 1 0 372.513 2.074 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N[C@H](C)C(=O)N2c3ccccc3C[C@H]2C)CC1 ZINC000454535964 560448656 /nfs/dbraw/zinc/44/86/56/560448656.db2.gz FZQONSYYJBJXIE-HZPDHXFCSA-N 1 0 370.497 2.302 20 30 FEEDRO C[C@@H]1CN(C(=O)N=c2ccn(CCC#N)[nH]2)CC[N@H+](Cc2ccccc2)C1 ZINC000454825404 560459745 /nfs/dbraw/zinc/45/97/45/560459745.db2.gz JPFLDRJRLCVSRK-KRWDZBQOSA-N 1 0 366.469 2.783 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1NC(=O)N[C@H](CC[N@@H+](C)CCOC)c1ccccc1 ZINC000455393650 560480577 /nfs/dbraw/zinc/48/05/77/560480577.db2.gz CNGAWUUWZCFCRJ-QRVBRYPASA-N 1 0 361.486 2.339 20 30 FEEDRO N#CCc1ccc(NC(=O)NC[C@@H]2CCC[N@H+]2CCCO)c(Cl)c1 ZINC000455734873 560493294 /nfs/dbraw/zinc/49/32/94/560493294.db2.gz PXVUQCFOTIDKEQ-AWEZNQCLSA-N 1 0 350.850 2.374 20 30 FEEDRO CC[C@@H]1CN(C(=O)C(C)(C)Cc2ccc(C#N)cc2)CC[N@@H+]1C[C@H](C)O ZINC000455777473 560494552 /nfs/dbraw/zinc/49/45/52/560494552.db2.gz CVLRYUJROBMZRP-QFBILLFUSA-N 1 0 357.498 2.431 20 30 FEEDRO N#CCc1cccc(NC(=O)NC[C@H](O)C[N@@H+]2CCc3ccccc3C2)c1 ZINC000455947480 560501534 /nfs/dbraw/zinc/50/15/34/560501534.db2.gz OCWQSGHCGLHIEX-FQEVSTJZSA-N 1 0 364.449 2.293 20 30 FEEDRO Cc1cc(C#N)cc(NC(=O)NCc2cccnc2N2CC[NH+](C)CC2)c1 ZINC000456011661 560504462 /nfs/dbraw/zinc/50/44/62/560504462.db2.gz VCLUSSTVMJZYHW-UHFFFAOYSA-N 1 0 364.453 2.335 20 30 FEEDRO CC[NH+]1CCN(CC(C)(C)NC(=O)CSc2ccc(C#N)cc2)CC1 ZINC000456877851 560535289 /nfs/dbraw/zinc/53/52/89/560535289.db2.gz CVBUGUKPSKYSGP-UHFFFAOYSA-N 1 0 360.527 2.183 20 30 FEEDRO C=C(C)[C@H]1OCCC[C@H]1C(=O)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000457504700 560571199 /nfs/dbraw/zinc/57/11/99/560571199.db2.gz MUWOHZAKEGAQOH-VNTMZGSJSA-N 1 0 363.546 2.375 20 30 FEEDRO CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)NCC(C)(C)CC#N ZINC000459231135 560675250 /nfs/dbraw/zinc/67/52/50/560675250.db2.gz GRQPGPDGYCSTGM-FQEVSTJZSA-N 1 0 358.486 2.205 20 30 FEEDRO N#Cc1cccc([N+](=O)[O-])c1CN1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000459343094 560681221 /nfs/dbraw/zinc/68/12/21/560681221.db2.gz HKQPTKPSWYNOPT-CQSZACIVSA-N 1 0 352.398 2.384 20 30 FEEDRO N#C[C@@H]1CCC[C@@H]1NCC(=O)N1CCN(Cc2cccc(Cl)c2)CC1 ZINC000459453930 560687426 /nfs/dbraw/zinc/68/74/26/560687426.db2.gz DHAGMKOXWNQRAL-WMZOPIPTSA-N 1 0 360.889 2.266 20 30 FEEDRO CCOc1ccc(N(CCC#N)C(=O)C[N@H+](C)C2CCN(OC)CC2)cc1 ZINC000459579342 560695490 /nfs/dbraw/zinc/69/54/90/560695490.db2.gz KKYOVNOXCHOMNU-UHFFFAOYSA-N 1 0 374.485 2.290 20 30 FEEDRO C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459641992 560699490 /nfs/dbraw/zinc/69/94/90/560699490.db2.gz MSCBDWQTWNSNIZ-KBPBESRZSA-N 1 0 361.408 2.428 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)C(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000459865635 560714670 /nfs/dbraw/zinc/71/46/70/560714670.db2.gz JKKZONKWBPMFBX-LJQANCHMSA-N 1 0 361.511 2.207 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)C(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000459865633 560714729 /nfs/dbraw/zinc/71/47/29/560714729.db2.gz JKKZONKWBPMFBX-IBGZPJMESA-N 1 0 361.511 2.207 20 30 FEEDRO N#Cc1ccc(CN2CCC([NH2+][C@H](CCO)C3CCOCC3)CC2)cc1 ZINC000461090802 560761173 /nfs/dbraw/zinc/76/11/73/560761173.db2.gz NMARNRGOYTUKHY-OAQYLSRUSA-N 1 0 357.498 2.290 20 30 FEEDRO N#C[C@H]1CCC[C@@H]1NC(=O)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000461785883 560783476 /nfs/dbraw/zinc/78/34/76/560783476.db2.gz DDIXIBAOQDZHOI-AEFFLSMTSA-N 1 0 354.454 2.419 20 30 FEEDRO N#Cc1cccnc1-n1cc(NC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)cn1 ZINC000462069880 560794833 /nfs/dbraw/zinc/79/48/33/560794833.db2.gz FBKNDRFMFHALPH-QGZVFWFLSA-N 1 0 365.441 2.231 20 30 FEEDRO C[C@H](C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1)c1cccc(C#N)c1 ZINC000462270480 560803858 /nfs/dbraw/zinc/80/38/58/560803858.db2.gz OCTCGEAOJXKMKQ-ZWOKBUDYSA-N 1 0 354.498 2.146 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N2CCN(c3ncc(CC)s3)CC2)CC1 ZINC000465858238 560874277 /nfs/dbraw/zinc/87/42/77/560874277.db2.gz UMFSVALVGVELCU-UHFFFAOYSA-N 1 0 363.531 2.188 20 30 FEEDRO C[C@H]1C[C@H](NC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)CC[N@@H+]1C ZINC000466040750 560878830 /nfs/dbraw/zinc/87/88/30/560878830.db2.gz VFURQYKZUALQMQ-GOEBONIOSA-N 1 0 359.449 2.012 20 30 FEEDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CCN(c2cccc(F)c2C#N)CC1 ZINC000466761542 560894887 /nfs/dbraw/zinc/89/48/87/560894887.db2.gz DFTFNROLNIUTIJ-KSSFIOAISA-N 1 0 371.460 2.012 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@@H](C(=O)OC)[C@H]1C)C(C)C ZINC000468434046 560929841 /nfs/dbraw/zinc/92/98/41/560929841.db2.gz CHOAOTDYPYMELI-BRWVUGGUSA-N 1 0 351.491 2.278 20 30 FEEDRO C[C@@H](C(=O)NC1(C#N)CCC1)[NH+]1CCC(C(=O)NC2CCCCC2)CC1 ZINC000469721609 560962773 /nfs/dbraw/zinc/96/27/73/560962773.db2.gz QWURZOXFOOPKDT-HNNXBMFYSA-N 1 0 360.502 2.098 20 30 FEEDRO C=CCc1ccc(OC[C@H](O)C[N@H+]2CC[C@H](C(=O)OC)[C@H]2C)c(OC)c1 ZINC000470003325 560971530 /nfs/dbraw/zinc/97/15/30/560971530.db2.gz QDWLDBROGJTMDG-OIISXLGYSA-N 1 0 363.454 2.047 20 30 FEEDRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000470211630 560976675 /nfs/dbraw/zinc/97/66/75/560976675.db2.gz KDIZWLNZXHTJMD-AWEZNQCLSA-N 1 0 374.872 2.340 20 30 FEEDRO N#Cc1ccc(OC[C@H](O)C[NH+]2CCC(Oc3ccccn3)CC2)cc1 ZINC000471161806 560999435 /nfs/dbraw/zinc/99/94/35/560999435.db2.gz MFOYICKPXOQSFF-QGZVFWFLSA-N 1 0 353.422 2.236 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@@H]1CCCN1C(=O)NC(C)C)C(C)C ZINC000472068771 561017166 /nfs/dbraw/zinc/01/71/66/561017166.db2.gz QQOAHEXXHFGEKU-ROUUACIJSA-N 1 0 364.534 2.384 20 30 FEEDRO CC(C)OCC[NH+]1CCC(NC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)CC1 ZINC000472256173 561022080 /nfs/dbraw/zinc/02/20/80/561022080.db2.gz FUQORAXHRBLOTI-IBGZPJMESA-N 1 0 368.481 2.246 20 30 FEEDRO CC[NH+](CC)CCO[C@@H]1CCN([C@@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000472284165 561023231 /nfs/dbraw/zinc/02/32/31/561023231.db2.gz KSFVPMXVDJSMIK-ZWKOTPCHSA-N 1 0 364.534 2.150 20 30 FEEDRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C[C@H](CC#N)c2ccccc2)CC1 ZINC000475666206 561101766 /nfs/dbraw/zinc/10/17/66/561101766.db2.gz HIHFIQDYXZOBST-IBGZPJMESA-N 1 0 370.497 2.087 20 30 FEEDRO N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@]2(CO)Cc2ccccc2)cc1 ZINC000475679217 561102166 /nfs/dbraw/zinc/10/21/66/561102166.db2.gz LEVLMZFUAWOFPR-RBBKRZOGSA-N 1 0 366.461 2.368 20 30 FEEDRO CC1CCC([NH+]2CCN(C[C@H](O)COc3ccccc3C#N)CC2)CC1 ZINC000528385134 562326144 /nfs/dbraw/zinc/32/61/44/562326144.db2.gz WMTWLKFARONCLD-UUKMXZOPSA-N 1 0 357.498 2.494 20 30 FEEDRO CO[C@H](Cc1ccc(F)cc1)C[NH+]1CCN(c2c(C#N)c(C)nn2C)CC1 ZINC000528470444 562330770 /nfs/dbraw/zinc/33/07/70/562330770.db2.gz FCRGLYZVYXXBLR-GOSISDBHSA-N 1 0 371.460 2.119 20 30 FEEDRO N#CC1(C[C@@H](O)C[N@@H+]2C[C@H]3CCC[C@@]3(c3nc(CC4CC4)no3)C2)CC1 ZINC000528475478 562331160 /nfs/dbraw/zinc/33/11/60/562331160.db2.gz PCIDNCFZXDWOQP-JXXFODFXSA-N 1 0 356.470 2.430 20 30 FEEDRO CC1(C)[C@H]([NH2+]CC#CCN2C(=O)c3ccccc3C2=O)[C@H]2CCCO[C@H]21 ZINC000528518954 562333701 /nfs/dbraw/zinc/33/37/01/562333701.db2.gz KVSWGDSDUREWSR-KZNAEPCWSA-N 1 0 352.434 2.079 20 30 FEEDRO C[C@H]1CN(CC(F)(F)F)CC[N@H+](C[C@H](O)COc2ccccc2C#N)C1 ZINC000528523036 562333744 /nfs/dbraw/zinc/33/37/44/562333744.db2.gz XJWQRWHMFJMCRH-ZBFHGGJFSA-N 1 0 371.403 2.114 20 30 FEEDRO C[C@@H](NC(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1)c1ccc(C#N)cc1 ZINC000529297699 562367896 /nfs/dbraw/zinc/36/78/96/562367896.db2.gz PTCVFWHYYNJINE-BEFAXECRSA-N 1 0 356.470 2.419 20 30 FEEDRO CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@@H]1CCCN(O)C1=O ZINC000529426957 562373471 /nfs/dbraw/zinc/37/34/71/562373471.db2.gz JFROEWFZZPBIFL-KZNAEPCWSA-N 1 0 359.470 2.031 20 30 FEEDRO C[C@H]([NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1)C(=O)NC1(C#N)CCC1 ZINC000530336863 562407476 /nfs/dbraw/zinc/40/74/76/562407476.db2.gz FLZVQQGVNSNPBZ-UGSOOPFHSA-N 1 0 355.438 2.449 20 30 FEEDRO C[NH+]1CCN(C[C@@H](NC(=O)Cc2cccc(C#N)c2)c2ccccc2)CC1 ZINC000531152224 562436324 /nfs/dbraw/zinc/43/63/24/562436324.db2.gz UBOPIOSSVRBFAN-OAQYLSRUSA-N 1 0 362.477 2.206 20 30 FEEDRO N#Cc1csc(C[NH2+]CCN2CCN(C(=O)C3CCCCC3)CC2)c1 ZINC000531356352 562443096 /nfs/dbraw/zinc/44/30/96/562443096.db2.gz SYADRILIHKQXAD-UHFFFAOYSA-N 1 0 360.527 2.434 20 30 FEEDRO CS[C@@H]1CN([C@@H](C)C(=O)N(CCC#N)c2ccccc2)C[C@@H]1[NH+](C)C ZINC000534952000 562546050 /nfs/dbraw/zinc/54/60/50/562546050.db2.gz QTVDMQLQPDPMQK-RYQLBKOJSA-N 1 0 360.527 2.299 20 30 FEEDRO CC[NH+](CC)[C@H](C(=O)N(C)CCCc1[nH]nc(N)c1C#N)c1ccccc1 ZINC000537152615 562586679 /nfs/dbraw/zinc/58/66/79/562586679.db2.gz HKQVDVSTZUIQRM-SFHVURJKSA-N 1 0 368.485 2.338 20 30 FEEDRO CN(C)c1cc(C#N)cc(C(=O)NCc2cccc(OCC[NH+](C)C)c2)c1 ZINC000550216601 562644599 /nfs/dbraw/zinc/64/45/99/562644599.db2.gz ATOBYUYFBSGUGB-UHFFFAOYSA-N 1 0 366.465 2.495 20 30 FEEDRO CC(=O)NCC[C@H]1CCC[N@@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000568117470 567890737 /nfs/dbraw/zinc/89/07/37/567890737.db2.gz SFNCXCUVJGSSLC-UYAOXDASSA-N 1 0 368.481 2.292 20 30 FEEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000602595821 567999435 /nfs/dbraw/zinc/99/94/35/567999435.db2.gz DDBRPCXCKLXLEI-PXNSSMCTSA-N 1 0 357.498 2.442 20 30 FEEDRO C/C=C/c1ccc(OC[C@H](O)C[NH+]2C[C@H](C)N(CC#N)[C@@H](C)C2)c(OC)c1 ZINC000602854905 568002105 /nfs/dbraw/zinc/00/21/05/568002105.db2.gz DQIHZHGWWJYLCD-OCKMMHLGSA-N 1 0 373.497 2.386 20 30 FEEDRO CN(CCC#N)C(=O)CC[NH+]1CCC(c2cc(-c3ccncc3)n[nH]2)CC1 ZINC000602878864 568003599 /nfs/dbraw/zinc/00/35/99/568003599.db2.gz UGSNVDYEAOJBRS-UHFFFAOYSA-N 1 0 366.469 2.413 20 30 FEEDRO N#CC1(NC(=O)C[NH2+][C@H](c2ccncc2)C2(CO)CCC2)CCCCC1 ZINC000602902793 568015740 /nfs/dbraw/zinc/01/57/40/568015740.db2.gz ODHJXDKUMLYCTL-GOSISDBHSA-N 1 0 356.470 2.218 20 30 FEEDRO COC[C@@](C)(CO)[NH2+]CC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000602932475 568019944 /nfs/dbraw/zinc/01/99/44/568019944.db2.gz OOJTVAHSCWJFTP-CXAGYDPISA-N 1 0 351.472 2.006 20 30 FEEDRO CO[C@@H]1CN(CC(=O)N(CCC#N)c2cccc(Cl)c2)[C@@](C)(CO)C1 ZINC000602964494 568023881 /nfs/dbraw/zinc/02/38/81/568023881.db2.gz QMBSTAMZWJYNQH-FUHWJXTLSA-N 1 0 365.861 2.058 20 30 FEEDRO C[C@@H]1CN(C(=O)Nc2cccc(OCC[NH+](C)C)c2)C[C@@H](C)N1CC#N ZINC000602794895 568034971 /nfs/dbraw/zinc/03/49/71/568034971.db2.gz DZUPJVOLYPTYCY-HZPDHXFCSA-N 1 0 359.474 2.077 20 30 FEEDRO CC(C)n1ncc2c1C[C@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)CC2 ZINC000568502213 568039213 /nfs/dbraw/zinc/03/92/13/568039213.db2.gz HWSBYPBAEURBGD-QGZVFWFLSA-N 1 0 372.494 2.256 20 30 FEEDRO CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)N1CCCN(c2cc[nH+]cc2)CC1 ZINC000603083932 568058966 /nfs/dbraw/zinc/05/89/66/568058966.db2.gz PMVFGXUWCQAMQS-HXUWFJFHSA-N 1 0 372.469 2.382 20 30 FEEDRO C[C@@H](C(=O)N(CCC#N)c1ccccc1)n1cc([C@H]2CCC[NH2+]C2)nn1 ZINC000603172022 568071109 /nfs/dbraw/zinc/07/11/09/568071109.db2.gz BYJGOJFMUQIQPA-HOTGVXAUSA-N 1 0 352.442 2.253 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)n1cc(CSCC[NH3+])nn1 ZINC000603191614 568072113 /nfs/dbraw/zinc/07/21/13/568072113.db2.gz JMILNZXUGLQFHR-CYBMUJFWSA-N 1 0 365.528 2.307 20 30 FEEDRO N#CC1(c2ccc(C[NH2+][C@@H]3CCCN(CCN4CCOCC4)C3)cc2)CC1 ZINC000603427340 568096700 /nfs/dbraw/zinc/09/67/00/568096700.db2.gz GELQHCQXKRFXSZ-OAQYLSRUSA-N 1 0 368.525 2.128 20 30 FEEDRO N#CCCn1cc(C[NH2+][C@H](CO)CC(F)(F)F)c(-c2ccncc2)n1 ZINC000603428952 568096816 /nfs/dbraw/zinc/09/68/16/568096816.db2.gz ZXMRPOQTMBTUSW-AWEZNQCLSA-N 1 0 353.348 2.262 20 30 FEEDRO Cc1ccccc1O[C@@H](C)C[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000568621223 568099815 /nfs/dbraw/zinc/09/98/15/568099815.db2.gz UMKGCUDMMZTAKO-HNNXBMFYSA-N 1 0 359.451 2.093 20 30 FEEDRO N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H](c3ccncn3)C2)cc1 ZINC000603842981 568155309 /nfs/dbraw/zinc/15/53/09/568155309.db2.gz VWYHPYQKLQWPHT-MSOLQXFVSA-N 1 0 352.438 2.162 20 30 FEEDRO COc1ccc(OC2CCN(CC(=O)N[C@](C)(C#N)C3CC3)CC2)cc1 ZINC000603854615 568167601 /nfs/dbraw/zinc/16/76/01/568167601.db2.gz HMXKQKJOCMLYEG-HXUWFJFHSA-N 1 0 357.454 2.347 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+]C[C@@H]2CC23CCSCC3)cc1 ZINC000569803978 568425807 /nfs/dbraw/zinc/42/58/07/568425807.db2.gz HHIDEAOADQVTEL-HNNXBMFYSA-N 1 0 350.509 2.455 20 30 FEEDRO CN1CC[C@@H]([NH2+]Cc2cnc3c(C#N)cnn3c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000569811150 568426678 /nfs/dbraw/zinc/42/66/78/568426678.db2.gz NHQCHIMCTMYYQI-MSOLQXFVSA-N 1 0 368.391 2.414 20 30 FEEDRO CC(C)(C)OC(=O)[C@](C)(O)C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000570085605 568458158 /nfs/dbraw/zinc/45/81/58/568458158.db2.gz USLBTWZYSBZNAA-HXUWFJFHSA-N 1 0 359.470 2.209 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)NC[C@@H](O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000807790766 674429568 /nfs/dbraw/zinc/42/95/68/674429568.db2.gz FMXQQIRLVGZMBX-MRXNPFEDSA-N 1 0 354.372 2.200 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N(C)Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000735399181 598370572 /nfs/dbraw/zinc/37/05/72/598370572.db2.gz QDBVHHJDBQSXMT-UHFFFAOYSA-N 1 0 369.473 2.049 20 30 FEEDRO C[C@@H]([NH2+][C@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O)c1cccc(C#N)c1 ZINC000820413525 599388460 /nfs/dbraw/zinc/38/84/60/599388460.db2.gz RLKGQPJVJIGHCG-ACJLOTCBSA-N 1 0 373.420 2.194 20 30 FEEDRO COc1ccc(C#N)cc1C[N@@H+]1CCC[C@H](CNC(=O)C(F)(F)F)C1 ZINC000810070990 674529433 /nfs/dbraw/zinc/52/94/33/674529433.db2.gz UZRNLAVHBQVDCN-CYBMUJFWSA-N 1 0 355.360 2.457 20 30 FEEDRO C[C@@H]1C[N@H+](Cc2cccc(-c3nn[nH]n3)c2)CCN1Cc1cccc(C#N)c1 ZINC000822000286 606178386 /nfs/dbraw/zinc/17/83/86/606178386.db2.gz FKZDABPZUUGXCN-MRXNPFEDSA-N 1 0 373.464 2.445 20 30 FEEDRO COC(=O)c1ccc(Cl)c(C(=O)N(CCC#N)CCC[NH+](C)C)c1 ZINC000810491279 674546728 /nfs/dbraw/zinc/54/67/28/674546728.db2.gz QNJWOQIBSXQKEX-UHFFFAOYSA-N 1 0 351.834 2.434 20 30 FEEDRO N#Cc1ccc(CN2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)o1 ZINC000826384707 608508150 /nfs/dbraw/zinc/50/81/50/608508150.db2.gz GSJGQZSOPROOPS-UHFFFAOYSA-N 1 0 363.425 2.039 20 30 FEEDRO C[C@@H](Cc1ccc(Br)cc1F)[NH2+]CCn1cnc(C#N)n1 ZINC000560584872 674601222 /nfs/dbraw/zinc/60/12/22/674601222.db2.gz MKBOWZIMBVOTNH-JTQLQIEISA-N 1 0 352.211 2.272 20 30 FEEDRO C#CCNC(=O)CC[NH+]1CCC(CN(CC)C(=O)OC(C)(C)C)CC1 ZINC000815055924 674908313 /nfs/dbraw/zinc/90/83/13/674908313.db2.gz UBNYYECZYKHRCM-UHFFFAOYSA-N 1 0 351.491 2.095 20 30 FEEDRO N#CCCNC(=O)C[NH2+]C1(Cc2ccc(F)cc2Cl)CCOCC1 ZINC000815220213 674931649 /nfs/dbraw/zinc/93/16/49/674931649.db2.gz IJTIKPCRGVIFQT-UHFFFAOYSA-N 1 0 353.825 2.190 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@H]1C[N@H+](CCC2CCCC2)C[C@@H]1O ZINC001047561360 674960595 /nfs/dbraw/zinc/96/05/95/674960595.db2.gz GMLWRSSOAGEHJB-VJANTYMQSA-N 1 0 350.503 2.051 20 30 FEEDRO C=C(C)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)C1 ZINC001047634524 674962389 /nfs/dbraw/zinc/96/23/89/674962389.db2.gz JOOQMIYSYUULCM-FSDCSDTHSA-N 1 0 350.409 2.148 20 30 FEEDRO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1OC[C@@H]3COCC[C@H]13)C2 ZINC001048550502 675010084 /nfs/dbraw/zinc/01/00/84/675010084.db2.gz RDJQSHGFHQBVSA-MCEUPANISA-N 1 0 368.905 2.150 20 30 FEEDRO CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)CCN1c1snc(Cl)c1C#N ZINC001048586811 675011349 /nfs/dbraw/zinc/01/13/49/675011349.db2.gz CMAIEPJKAMLULH-YNEHKIRRSA-N 1 0 367.906 2.236 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[C@H](C[NH2+]C[C@@H]2CCOC2)CC1 ZINC001048616334 675012311 /nfs/dbraw/zinc/01/23/11/675012311.db2.gz KKDAHSCVLLKFNS-FKSLSLAPSA-N 1 0 350.503 2.126 20 30 FEEDRO C#CCC[N@@H+]1C[C@H]2CN(C(=O)CC[C@@H]3CC[C@H](C(F)(F)F)O3)C[C@H]2C1 ZINC001048870006 675017099 /nfs/dbraw/zinc/01/70/99/675017099.db2.gz KLMYSRIMABSGIB-XUWVNRHRSA-N 1 0 358.404 2.290 20 30 FEEDRO COC(=O)c1ccc(C[NH2+]C[C@H](O)COc2ccc(CC#N)cc2)s1 ZINC000564565697 675038008 /nfs/dbraw/zinc/03/80/08/675038008.db2.gz VEJNBYTZTSPSMQ-AWEZNQCLSA-N 1 0 360.435 2.130 20 30 FEEDRO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C(=O)c3cnn(C)c3C#N)C2)s1 ZINC000565093594 675094203 /nfs/dbraw/zinc/09/42/03/675094203.db2.gz NOQQNENFDRVYKW-AWEZNQCLSA-N 1 0 357.483 2.256 20 30 FEEDRO C[C@H](O)C[N@@H+]1CCN(Cc2ccc(Br)cc2C#N)[C@@H](C)C1 ZINC000565098189 675094417 /nfs/dbraw/zinc/09/44/17/675094417.db2.gz JEWCAWRZGAATRR-STQMWFEESA-N 1 0 352.276 2.208 20 30 FEEDRO C#CCCOc1ccc(C[NH2+]CCNS(=O)(=O)c2ccccc2)cc1 ZINC000113329613 670883668 /nfs/dbraw/zinc/88/36/68/670883668.db2.gz RDXPYEVGDCEGDN-UHFFFAOYSA-N 1 0 358.463 2.157 20 30 FEEDRO COc1ccc(Cl)cc1CN1CCN(C(=O)[C@@H]([NH3+])CCCC#N)CC1 ZINC000573959262 671185872 /nfs/dbraw/zinc/18/58/72/671185872.db2.gz SQQYQWFFGIGMTE-INIZCTEOSA-N 1 0 364.877 2.014 20 30 FEEDRO N#Cc1csc(CNc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)n1 ZINC000574127420 671205064 /nfs/dbraw/zinc/20/50/64/671205064.db2.gz DAQFBNMIKIRPTC-UHFFFAOYSA-N 1 0 355.467 2.452 20 30 FEEDRO CCN(CCC#N)S(=O)(=O)NC[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000575129582 671300051 /nfs/dbraw/zinc/30/00/51/671300051.db2.gz VAQIBKJDTMYIFU-OAHLLOKOSA-N 1 0 372.922 2.055 20 30 FEEDRO CN(CCC#N)C[C@H](O)C[NH2+]Cc1ccc(Br)cc1Cl ZINC000577722024 671616056 /nfs/dbraw/zinc/61/60/56/671616056.db2.gz DBULXNLGZNOQGI-CYBMUJFWSA-N 1 0 360.683 2.398 20 30 FEEDRO C[NH+](C)C[C@H]1CCN(C(=O)C(=O)Nc2scc(C(C)(C)C)c2C#N)C1 ZINC000579218143 671719867 /nfs/dbraw/zinc/71/98/67/671719867.db2.gz PTCGAOJRAIHBJE-GFCCVEGCSA-N 1 0 362.499 2.266 20 30 FEEDRO C=CCNS(=O)(=O)c1cc(-c2nc([C@H]([NH3+])CC(C)C)no2)ccc1F ZINC000579353255 671729932 /nfs/dbraw/zinc/72/99/32/671729932.db2.gz WKWAISDJRURQRB-CYBMUJFWSA-N 1 0 368.434 2.386 20 30 FEEDRO C[C@@H]1CC[N@H+](CCNC(=O)COc2cccc(Br)c2C#N)C1 ZINC000579435311 671734933 /nfs/dbraw/zinc/73/49/33/671734933.db2.gz VWQALULTQMDHQV-GFCCVEGCSA-N 1 0 366.259 2.158 20 30 FEEDRO N#Cc1ccc(CNC(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)s1 ZINC000579460302 671737179 /nfs/dbraw/zinc/73/71/79/671737179.db2.gz WFMNAEVNUNLZPJ-DLBZAZTESA-N 1 0 362.499 2.187 20 30 FEEDRO C[C@@H](Cc1ccccc1Br)[NH2+]C[C@H](O)CN(C)CCC#N ZINC000580423378 671806073 /nfs/dbraw/zinc/80/60/73/671806073.db2.gz QVURGYZDQMUDGR-ZFWWWQNUSA-N 1 0 354.292 2.176 20 30 FEEDRO CCOC(=O)[C@]1(C(C)C)CC[N@@H+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000581051685 671858648 /nfs/dbraw/zinc/85/86/48/671858648.db2.gz YQCJJXLXHVGYMY-ATZDWAIDSA-N 1 0 351.491 2.341 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000581851884 671940966 /nfs/dbraw/zinc/94/09/66/671940966.db2.gz IJOVMHAOZPTWNX-MRXNPFEDSA-N 1 0 361.511 2.396 20 30 FEEDRO CSCc1ccc(C[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)cc1 ZINC000582058722 671963321 /nfs/dbraw/zinc/96/33/21/671963321.db2.gz WUPKLFURVMBVID-UHFFFAOYSA-N 1 0 361.492 2.380 20 30 FEEDRO COCCC1(C[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)CCCCC1 ZINC000582177439 671976019 /nfs/dbraw/zinc/97/60/19/671976019.db2.gz XXKBYBCLWGCNIM-UHFFFAOYSA-N 1 0 365.499 2.304 20 30 FEEDRO CN(CCNS(=O)(=O)c1cccc(F)c1C#N)Cc1ccc(F)cc1 ZINC000124979841 672004589 /nfs/dbraw/zinc/00/45/89/672004589.db2.gz SVOYKXUVFHPTHL-UHFFFAOYSA-N 1 0 365.405 2.247 20 30 FEEDRO N#CCCC[C@H]([NH3+])C(=O)N[C@H]1CCN(c2ccccc2Br)C1 ZINC000582961737 672050078 /nfs/dbraw/zinc/05/00/78/672050078.db2.gz BDZGPTPWPMBBSA-JSGCOSHPSA-N 1 0 365.275 2.165 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)c2csc(CC)n2)CC1 ZINC000583339259 672085680 /nfs/dbraw/zinc/08/56/80/672085680.db2.gz CBESADHPYFCELF-ZDUSSCGKSA-N 1 0 364.515 2.039 20 30 FEEDRO Cc1ncsc1-c1nc(CO[NH+]=C(N)c2ccc(N(C)C)cc2)no1 ZINC000131196561 672085796 /nfs/dbraw/zinc/08/57/96/672085796.db2.gz VBIPGKASKUSYBP-UHFFFAOYSA-N 1 0 358.427 2.405 20 30 FEEDRO Cc1cc(S(=O)(=O)NCCNC(=[NH2+])Nc2cccc(C)c2)c(C)s1 ZINC000151411545 672162342 /nfs/dbraw/zinc/16/23/42/672162342.db2.gz WYSDODQSBKARQO-UHFFFAOYSA-N 1 0 366.512 2.378 20 30 FEEDRO N#CCc1ccc(CS(=O)(=O)N(CCC[NH3+])Cc2ccccc2)cc1 ZINC000584412682 672185588 /nfs/dbraw/zinc/18/55/88/672185588.db2.gz WSDPRUDMUMZUCN-UHFFFAOYSA-N 1 0 357.479 2.433 20 30 FEEDRO C[NH+]=C(NCc1ccnc(C)n1)N[C@H]1CCN(c2cccc(Cl)c2)C1 ZINC000156401750 672246143 /nfs/dbraw/zinc/24/61/43/672246143.db2.gz PNRORGPCPJREJJ-INIZCTEOSA-N 1 0 358.877 2.382 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)[C@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)CC1 ZINC000172542740 672342810 /nfs/dbraw/zinc/34/28/10/672342810.db2.gz YTMPGJLSXJMHEY-HOTGVXAUSA-N 1 0 351.491 2.446 20 30 FEEDRO CC(C)(C)OC(=O)N1CCN(CC[NH2+]Cc2cc(C#N)cs2)CC1 ZINC000177696458 672385322 /nfs/dbraw/zinc/38/53/22/672385322.db2.gz MKBBFVKUWSBNBN-UHFFFAOYSA-N 1 0 350.488 2.262 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@@H](C3(C)OCCO3)C2)CC1 ZINC000182518997 672446661 /nfs/dbraw/zinc/44/66/61/672446661.db2.gz IKKOXMOKVWKWQZ-MRXNPFEDSA-N 1 0 351.491 2.212 20 30 FEEDRO C[N@@H+]1CCC[C@]2(CCN(S(=O)(=O)c3cccc(Cl)c3C#N)C2)C1 ZINC000590165488 672562985 /nfs/dbraw/zinc/56/29/85/672562985.db2.gz ZVAWAFPRRVOQOR-INIZCTEOSA-N 1 0 353.875 2.318 20 30 FEEDRO COC(=O)C(C)(C)[C@@H]1CCC[N@@H+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000611320352 676032076 /nfs/dbraw/zinc/03/20/76/676032076.db2.gz HABZGKHUZSHOEM-SPYBWZPUSA-N 1 0 351.491 2.341 20 30 FEEDRO N#C[C@@H](c1cccs1)N1CCN(C(=O)C[N@H+]2CC[C@H](C(F)F)C2)CC1 ZINC000611432661 676036872 /nfs/dbraw/zinc/03/68/72/676036872.db2.gz JRSHRXLJMNDPQL-KBPBESRZSA-N 1 0 368.453 2.044 20 30 FEEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000591292273 672666754 /nfs/dbraw/zinc/66/67/54/672666754.db2.gz DQZKSQBESZXWPS-ZIAGYGMSSA-N 1 0 360.483 2.135 20 30 FEEDRO N#CCN1CCC([NH2+]C[C@@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000591736887 672706743 /nfs/dbraw/zinc/70/67/43/672706743.db2.gz XFXHWXMYDFFPCD-CYBMUJFWSA-N 1 0 358.269 2.311 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@H]2CCOC3(CCCCC3)C2)nc1 ZINC000591755930 672708403 /nfs/dbraw/zinc/70/84/03/672708403.db2.gz CJEPRZVREYCQOV-INIZCTEOSA-N 1 0 363.483 2.198 20 30 FEEDRO CSC1(CNC2=[NH+]C[C@@H]3CN(C(=O)OC(C)(C)C)CCN23)CCC1 ZINC000193299609 672719457 /nfs/dbraw/zinc/71/94/57/672719457.db2.gz OBBZZIZAZTXROH-CYBMUJFWSA-N 1 0 354.520 2.153 20 30 FEEDRO CC(C)[C@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)C1(CO)CC=CC1 ZINC000592176232 672767819 /nfs/dbraw/zinc/76/78/19/672767819.db2.gz DUYDJUQKNQPGEX-SFHVURJKSA-N 1 0 362.495 2.275 20 30 FEEDRO CNC(=O)[C@]1(C(F)(F)F)CCN(Cc2cn3ccccc3c2C#N)C1 ZINC000592184268 672768640 /nfs/dbraw/zinc/76/86/40/672768640.db2.gz ICUBYHJFTQDLSJ-INIZCTEOSA-N 1 0 350.344 2.311 20 30 FEEDRO C[NH2+][C@@H](C)Cc1noc([C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)n1 ZINC000592355535 672790755 /nfs/dbraw/zinc/79/07/55/672790755.db2.gz REJQASAVETXWKT-CMPLNLGQSA-N 1 0 359.817 2.266 20 30 FEEDRO N#CCc1ccc(CS(=O)(=O)N2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC000592391037 672796782 /nfs/dbraw/zinc/79/67/82/672796782.db2.gz RVFBEQXGKOSYFB-OALUTQOASA-N 1 0 361.511 2.294 20 30 FEEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]CCNS(=O)(=O)c2ccccc2)cc1 ZINC000237697400 672811745 /nfs/dbraw/zinc/81/17/45/672811745.db2.gz DJNQHGQSKKTLGH-HNNXBMFYSA-N 1 0 359.451 2.046 20 30 FEEDRO N#Cc1cc(Br)ccc1CC(=O)NCCC[NH+]1CCCC1 ZINC000593014698 672864321 /nfs/dbraw/zinc/86/43/21/672864321.db2.gz DHXHVEIMFDWELM-UHFFFAOYSA-N 1 0 350.260 2.465 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH+]1CCC(CO)(OC)CC1 ZINC000683677108 672865495 /nfs/dbraw/zinc/86/54/95/672865495.db2.gz JCYNFVBVRRJLII-OAHLLOKOSA-N 1 0 352.500 2.125 20 30 FEEDRO CN(C(=O)Cc1ccc(Br)cc1C#N)[C@H]1CCC[N@H+](C)C1 ZINC000593070464 672871608 /nfs/dbraw/zinc/87/16/08/672871608.db2.gz QJFKEVMYCYPFJZ-HNNXBMFYSA-N 1 0 350.260 2.416 20 30 FEEDRO CC/[NH+]=C(/N(C)C)N1CCN(C(=O)Cc2cccc(Cl)c2)[C@@H](C)C1 ZINC000261687681 672901243 /nfs/dbraw/zinc/90/12/43/672901243.db2.gz DTZZIFOWUYMFBC-DPHDRGAJSA-N 1 0 350.894 2.353 20 30 FEEDRO C[NH+]=C(NCc1csc(-c2ccccc2)n1)N1CCO[C@@H](COC)C1 ZINC000261776051 672903128 /nfs/dbraw/zinc/90/31/28/672903128.db2.gz FCWARYIFAQSZEJ-MRXNPFEDSA-N 1 0 360.483 2.233 20 30 FEEDRO C[C@H]1C[NH+]=C(NCCSCCOc2cccc(Br)c2)N1 ZINC000261858189 672904553 /nfs/dbraw/zinc/90/45/53/672904553.db2.gz ACKUCZGHMAVCPS-NSHDSACASA-N 1 0 358.305 2.498 20 30 FEEDRO CC[NH+]=C(NCCc1cc(C)cc(C)c1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261967909 672906462 /nfs/dbraw/zinc/90/64/62/672906462.db2.gz LXWYFCOXYBIZML-UHFFFAOYSA-N 1 0 365.543 2.320 20 30 FEEDRO CC[NH+]=C(N[C@@H]1C[C@@H]1C1CCCCC1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000262014440 672908011 /nfs/dbraw/zinc/90/80/11/672908011.db2.gz XJVZIIOOVFNEAL-HZPDHXFCSA-N 1 0 355.548 2.430 20 30 FEEDRO Cc1nnc(CCNC(=[NH2+])N2CCN(c3ccc(Cl)cc3)CC2)s1 ZINC000262276157 672912234 /nfs/dbraw/zinc/91/22/34/672912234.db2.gz HXPHFAMIXKTZEU-UHFFFAOYSA-N 1 0 364.906 2.179 20 30 FEEDRO CC(C)[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N1CCC(OC(C)(C)C)CC1 ZINC000262403051 672915105 /nfs/dbraw/zinc/91/51/05/672915105.db2.gz OBKJXVHYOXKFNC-HNNXBMFYSA-N 1 0 373.563 2.055 20 30 FEEDRO CCc1cccc(NC(=[NH2+])NC[C@@H]2CCCC[C@H]2NS(C)(=O)=O)c1 ZINC000262687897 672919294 /nfs/dbraw/zinc/91/92/94/672919294.db2.gz ZEGIURVSSIGPLG-GOEBONIOSA-N 1 0 352.504 2.084 20 30 FEEDRO CC[C@H](C#N)C(=O)N1CCC(C(=O)NCC[NH+](C(C)C)C(C)C)CC1 ZINC000593421379 672921026 /nfs/dbraw/zinc/92/10/26/672921026.db2.gz UOAPWKWOCRINKJ-MRXNPFEDSA-N 1 0 350.507 2.010 20 30 FEEDRO C[NH+]=C(NCCc1c(C)noc1C)N1CCN(Cc2cccs2)CC1 ZINC000262812935 672921432 /nfs/dbraw/zinc/92/14/32/672921432.db2.gz UWIZCBKKNRNKFF-UHFFFAOYSA-N 1 0 361.515 2.289 20 30 FEEDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)Cc1ccc(Br)cc1C#N ZINC000593521709 672932847 /nfs/dbraw/zinc/93/28/47/672932847.db2.gz OPDMEUSXBYHIIS-BDJLRTHQSA-N 1 0 362.271 2.462 20 30 FEEDRO CS[C@@H]1CN(S(=O)(=O)c2ccc(C(C)(C)C#N)cc2)C[C@H]1[NH+](C)C ZINC000593571519 672946918 /nfs/dbraw/zinc/94/69/18/672946918.db2.gz UNZRWIRAMGUZTD-HZPDHXFCSA-N 1 0 367.540 2.154 20 30 FEEDRO CC(C)(C)OC(=O)N1CCN(C(=[NH2+])NCc2ccc(Cl)nc2)CC1 ZINC000303783189 673017606 /nfs/dbraw/zinc/01/76/06/673017606.db2.gz NZLMYQZADPMIEA-UHFFFAOYSA-N 1 0 353.854 2.102 20 30 FEEDRO CC(C)(C)OC(=O)N1CCN(C(=[NH2+])NCCCOC2CCCC2)CC1 ZINC000303969668 673019077 /nfs/dbraw/zinc/01/90/77/673019077.db2.gz BXVMPTAGQZLNHW-UHFFFAOYSA-N 1 0 354.495 2.203 20 30 FEEDRO COc1ccc(NC(=[NH2+])NCCCOCC2CCOCC2)cc1OC ZINC000304752001 673020202 /nfs/dbraw/zinc/02/02/02/673020202.db2.gz JUKQAFPOTGBZNV-UHFFFAOYSA-N 1 0 351.447 2.264 20 30 FEEDRO [NH2+]=C(NCC1CCS(=O)(=O)CC1)Nc1ccc(OC(F)(F)F)cc1 ZINC000305286826 673021204 /nfs/dbraw/zinc/02/12/04/673021204.db2.gz FHXKBIMFKDEXJI-UHFFFAOYSA-N 1 0 365.377 2.137 20 30 FEEDRO CCOC(=O)N1CCC(NC(=[NH2+])NCC2(CCOC)CCCC2)CC1 ZINC000305060359 673021483 /nfs/dbraw/zinc/02/14/83/673021483.db2.gz GHLNRFMAEGRQEQ-UHFFFAOYSA-N 1 0 354.495 2.109 20 30 FEEDRO CC(C)(C)OC(=O)N1CCC(C)(CNC(=[NH2+])N2CCSCC2)CC1 ZINC000305811324 673021897 /nfs/dbraw/zinc/02/18/97/673021897.db2.gz JMPPLESDUWDXMC-UHFFFAOYSA-N 1 0 356.536 2.387 20 30 FEEDRO Cc1csc(NC(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c1C#N ZINC000594105567 673031968 /nfs/dbraw/zinc/03/19/68/673031968.db2.gz MQRHKDGYRQKGJH-XJKSGUPXSA-N 1 0 361.515 2.418 20 30 FEEDRO C[C@@H]1CN(Cc2csc(NC(=O)NC3CC[NH+](C)CC3)n2)C[C@@H](C)O1 ZINC000328722867 673065550 /nfs/dbraw/zinc/06/55/50/673065550.db2.gz AHNZTIAHHNOABD-CHWSQXEVSA-N 1 0 367.519 2.172 20 30 FEEDRO N#CCCCC[C@H]([NH3+])C(=O)NCCOc1ccc(Br)cc1 ZINC000594432084 673071375 /nfs/dbraw/zinc/07/13/75/673071375.db2.gz XITCDDDHPJXRES-AWEZNQCLSA-N 1 0 354.248 2.355 20 30 FEEDRO COc1cnc(NC(=O)N2CCC(N3CC[NH+](C(C)C)CC3)CC2)s1 ZINC000329244025 673073792 /nfs/dbraw/zinc/07/37/92/673073792.db2.gz PMWOFEXXVYDFEC-UHFFFAOYSA-N 1 0 367.519 2.188 20 30 FEEDRO O=C(N[C@H]1CCCS(=O)(=O)C1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000329694937 673081829 /nfs/dbraw/zinc/08/18/29/673081829.db2.gz CWFDJRRAXHTCRS-IRXDYDNUSA-N 1 0 350.484 2.432 20 30 FEEDRO CS(=O)(=O)c1ccc(CNC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)s1 ZINC000329840573 673083970 /nfs/dbraw/zinc/08/39/70/673083970.db2.gz JRRKGKWJTCHYEX-CYBMUJFWSA-N 1 0 371.528 2.126 20 30 FEEDRO C=CCOC[C@@H]1NC(=O)N(C[C@H](c2ccsc2)[NH+](CC)CC)C1=O ZINC000348494427 673116172 /nfs/dbraw/zinc/11/61/72/673116172.db2.gz DKWACMQLPQYRLE-LSDHHAIUSA-N 1 0 351.472 2.254 20 30 FEEDRO C=CCNC(=S)NCc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC000727979642 673188831 /nfs/dbraw/zinc/18/88/31/673188831.db2.gz SLLFEKJMPQJYBS-UHFFFAOYSA-N 1 0 363.527 2.326 20 30 FEEDRO N#CCc1ccc(CS(=O)(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)cc1 ZINC000595115129 673195893 /nfs/dbraw/zinc/19/58/93/673195893.db2.gz AFVDGCBVGYOCHG-LJQANCHMSA-N 1 0 361.511 2.294 20 30 FEEDRO N#Cc1ccccc1S(=O)(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1 ZINC000595118171 673196630 /nfs/dbraw/zinc/19/66/30/673196630.db2.gz VEIVISNJQHXGQQ-IRXDYDNUSA-N 1 0 359.426 2.121 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)Nc2nc(-c3ccc(OC)cc3)ns2)CC1 ZINC000728484191 673202015 /nfs/dbraw/zinc/20/20/15/673202015.db2.gz KTTKYLLLRGLQGU-UHFFFAOYSA-N 1 0 356.451 2.497 20 30 FEEDRO COC(=O)Cc1csc(NC(=O)C[NH2+][C@H](C)c2cccc(C#N)c2)n1 ZINC000613175262 676115560 /nfs/dbraw/zinc/11/55/60/676115560.db2.gz GFSOJKUOOMKYTA-LLVKDONJSA-N 1 0 358.423 2.020 20 30 FEEDRO N#Cc1ccc(F)c(CS(=O)(=O)NC[C@@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC000595411455 673246120 /nfs/dbraw/zinc/24/61/20/673246120.db2.gz QFHIVHDRQUFRJE-INIZCTEOSA-N 1 0 365.474 2.239 20 30 FEEDRO N#Cc1ccc(CC[N@H+]2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)cc1 ZINC000595428598 673249666 /nfs/dbraw/zinc/24/96/66/673249666.db2.gz FVZVAXIXXKGPJC-LJQANCHMSA-N 1 0 361.511 2.427 20 30 FEEDRO CC(C)[C@H]([NH2+][C@@H]1CCN(c2sccc2C#N)C1=O)[C@H](O)C(F)(F)F ZINC000595482504 673256853 /nfs/dbraw/zinc/25/68/53/673256853.db2.gz OYCOFPPNSIVDAS-WOPDTQHZSA-N 1 0 361.389 2.262 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CCC[C@@]2(C)C(=O)OCC)CC1 ZINC000595496044 673257961 /nfs/dbraw/zinc/25/79/61/673257961.db2.gz YENLPALDJSKJSC-VQIMIIECSA-N 1 0 351.491 2.448 20 30 FEEDRO CCN1C(=O)[C@H](CC(=O)NCC[NH+](C)C)SC1=Nc1cccc(C)c1 ZINC000730143271 673263710 /nfs/dbraw/zinc/26/37/10/673263710.db2.gz SOXUNQNYCROWQZ-HNNXBMFYSA-N 1 0 362.499 2.014 20 30 FEEDRO C[C@H](NC(=O)N1CCN(c2ccsc2C#N)CC1)C1CC[NH+](C)CC1 ZINC000595552684 673265182 /nfs/dbraw/zinc/26/51/82/673265182.db2.gz ZIKOERHAYOYNCS-AWEZNQCLSA-N 1 0 361.515 2.182 20 30 FEEDRO Cc1sc(NC(=O)CN2CCO[C@@H](CCC[NH+](C)C)C2)c(C#N)c1C ZINC000595907389 673337112 /nfs/dbraw/zinc/33/71/12/673337112.db2.gz UFEDQPHNQPVNNM-HNNXBMFYSA-N 1 0 364.515 2.218 20 30 FEEDRO C[NH+](C)CCC[C@@H]1CN(CC(=O)Nc2cc(Cl)ccc2C#N)CCO1 ZINC000595905674 673337209 /nfs/dbraw/zinc/33/72/09/673337209.db2.gz FPZAMVZRYLWWCA-MRXNPFEDSA-N 1 0 364.877 2.193 20 30 FEEDRO COC(=O)c1cnc([C@H]2CCCN(C(=O)[C@H]([NH3+])CCCCC#N)C2)s1 ZINC000595998049 673346919 /nfs/dbraw/zinc/34/69/19/673346919.db2.gz WPZIULBVQSMXNI-QWHCGFSZSA-N 1 0 364.471 2.047 20 30 FEEDRO C[NH+](C)C1(CNc2ccc(S(N)(=O)=O)cc2C#N)CCCCCC1 ZINC000731901895 673347145 /nfs/dbraw/zinc/34/71/45/673347145.db2.gz NRIMQNSYHYSCMU-UHFFFAOYSA-N 1 0 350.488 2.272 20 30 FEEDRO CCOc1cc(C=NNC(=S)NCCC[NH+](C)C)cc(Cl)c1O ZINC000731930808 673348605 /nfs/dbraw/zinc/34/86/05/673348605.db2.gz NBAUZEZPMFRVRK-UHFFFAOYSA-N 1 0 358.895 2.194 20 30 FEEDRO Cc1c(C=NNC(=S)NCCC[NH+](C)C)sc2nc(C)nc(C)c12 ZINC000731930587 673348630 /nfs/dbraw/zinc/34/86/30/673348630.db2.gz DISMTEHYLJNUSZ-UHFFFAOYSA-N 1 0 364.544 2.366 20 30 FEEDRO COCC[NH+](CCOC)C1CCN(c2nc(C#N)c(Cl)s2)CC1 ZINC000596229162 673370012 /nfs/dbraw/zinc/37/00/12/673370012.db2.gz DMCUOTNZPVIFSS-UHFFFAOYSA-N 1 0 358.895 2.232 20 30 FEEDRO C[C@H]1CN(CCOC2CC[NH+](CCCSCC#N)CC2)C[C@H](C)O1 ZINC000536932957 673381937 /nfs/dbraw/zinc/38/19/37/673381937.db2.gz DETJYJBUKFMHOO-IRXDYDNUSA-N 1 0 355.548 2.223 20 30 FEEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H](C)C(=O)Nc1cccc(S(=O)(=O)NC)c1 ZINC000537968133 673415542 /nfs/dbraw/zinc/41/55/42/673415542.db2.gz RRYACXKHDPFWIS-IHRRRGAJSA-N 1 0 353.488 2.112 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)O[C@@H](C)C(=O)Nc2ccc(F)cc2F)CC1 ZINC000735939900 673508593 /nfs/dbraw/zinc/50/85/93/673508593.db2.gz LBFDXVCVBRGETH-LBPRGKRZSA-N 1 0 350.365 2.180 20 30 FEEDRO CCN(C(=O)Cc1ccc(Br)cc1C#N)[C@H]1CC[N@H+](C)C1 ZINC000597944656 673522082 /nfs/dbraw/zinc/52/20/82/673522082.db2.gz DHJGUZIPANCJJU-HNNXBMFYSA-N 1 0 350.260 2.416 20 30 FEEDRO CC(C)CNS(=O)(=O)c1ccc(C[NH2+]C[C@@H](O)CC(C)(C)C#N)cc1 ZINC000598724939 673603672 /nfs/dbraw/zinc/60/36/72/673603672.db2.gz MJMNVBLGHGZLIX-INIZCTEOSA-N 1 0 367.515 2.011 20 30 FEEDRO N#Cc1ccc(Cc2cnc(NC(=O)NCCOCCC[NH3+])s2)cc1 ZINC000599594305 673695150 /nfs/dbraw/zinc/69/51/50/673695150.db2.gz NZRCQCLBPZWZPV-UHFFFAOYSA-N 1 0 359.455 2.092 20 30 FEEDRO N#Cc1cc(NC(=O)NCC2([NH3+])CCOCC2)ccc1OC(F)(F)F ZINC000599603684 673696337 /nfs/dbraw/zinc/69/63/37/673696337.db2.gz HGEJPBBYBFCOND-UHFFFAOYSA-N 1 0 358.320 2.086 20 30 FEEDRO CC(C)(C)c1csc(NC(=O)C(=O)N[C@@H]2CC[NH2+]C23CCC3)c1C#N ZINC000599891068 673726660 /nfs/dbraw/zinc/72/66/60/673726660.db2.gz LBWLDTKPFGZZMN-CYBMUJFWSA-N 1 0 360.483 2.257 20 30 FEEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000599894960 673726830 /nfs/dbraw/zinc/72/68/30/673726830.db2.gz AJRXKOGNAWSGGQ-MGPQQGTHSA-N 1 0 360.483 2.134 20 30 FEEDRO N#Cc1ccc(Cl)c(NC(=O)C(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)c1 ZINC000600065277 673738236 /nfs/dbraw/zinc/73/82/36/673738236.db2.gz YZLPOGGCUAIISZ-AWEZNQCLSA-N 1 0 360.845 2.283 20 30 FEEDRO N#CC1(C[C@@H](O)C[NH2+]C[C@@H](c2cccc(Cl)c2)N2CCOCC2)CC1 ZINC000600721346 673794197 /nfs/dbraw/zinc/79/41/97/673794197.db2.gz CLHWIKBYLMXCHA-MSOLQXFVSA-N 1 0 363.889 2.358 20 30 FEEDRO C[NH+]1CCC(C#N)(NC(=O)Cc2csc(CCC(F)(F)F)n2)CC1 ZINC000601043215 673821486 /nfs/dbraw/zinc/82/14/86/673821486.db2.gz WSQXGGYJLRDTLO-UHFFFAOYSA-N 1 0 360.405 2.285 20 30 FEEDRO Cc1cc(S(=O)(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)sn1 ZINC000601307711 673840628 /nfs/dbraw/zinc/84/06/28/673840628.db2.gz FSTCCMIMYLUMSB-UHFFFAOYSA-N 1 0 364.496 2.076 20 30 FEEDRO C#CCN1CCN(C(=O)C[N@H+]2CCC[C@H]2Cc2ccccc2Cl)CC1 ZINC000746503280 673882040 /nfs/dbraw/zinc/88/20/40/673882040.db2.gz LAHAGHDUVPIQLC-SFHVURJKSA-N 1 0 359.901 2.124 20 30 FEEDRO C[C@H](CNS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N)[NH+]1CCCC1 ZINC000547716026 673883311 /nfs/dbraw/zinc/88/33/11/673883311.db2.gz ZRDFCAYFXGMCBI-LLVKDONJSA-N 1 0 361.389 2.340 20 30 FEEDRO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)n1cc(C[C@H]2CC[NH2+]C2)nn1 ZINC000603188542 673918521 /nfs/dbraw/zinc/91/85/21/673918521.db2.gz LQRDTKFRJNTGAU-VXGBXAGGSA-N 1 0 358.833 2.155 20 30 FEEDRO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)n1cc(C[C@H]2CC[NH2+]C2)nn1 ZINC000603188540 673918623 /nfs/dbraw/zinc/91/86/23/673918623.db2.gz LQRDTKFRJNTGAU-NWDGAFQWSA-N 1 0 358.833 2.155 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)c1ccc(F)c(I)c1 ZINC000818615761 675228924 /nfs/dbraw/zinc/22/89/24/675228924.db2.gz VMPLJGBTLKJCMR-UHFFFAOYSA-N 1 0 374.197 2.115 20 30 FEEDRO N#Cc1cccnc1NCC[NH2+]C[C@H](O)c1ccc(Br)cc1 ZINC000818975018 675248661 /nfs/dbraw/zinc/24/86/61/675248661.db2.gz JFUWQPRDVCNPKK-HNNXBMFYSA-N 1 0 361.243 2.451 20 30 FEEDRO Cc1ncc2c(n1)CCC[C@H]2[NH2+]CCS(=O)(=O)c1cccc(C#N)c1 ZINC000819082316 675259163 /nfs/dbraw/zinc/25/91/63/675259163.db2.gz PNFSJXJZCAXLSK-QGZVFWFLSA-N 1 0 356.451 2.098 20 30 FEEDRO C#CCSCC[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000819093575 675259982 /nfs/dbraw/zinc/25/99/82/675259982.db2.gz SQFKAHRCLMFNQU-UHFFFAOYSA-N 1 0 362.314 2.179 20 30 FEEDRO CC[NH+](CC)CCS(=O)(=O)N1CCC(Oc2cccc(C#N)c2)CC1 ZINC000567033321 675261717 /nfs/dbraw/zinc/26/17/17/675261717.db2.gz VLHGBMKCSWJIQK-UHFFFAOYSA-N 1 0 365.499 2.073 20 30 FEEDRO N#Cc1ccc(C[NH2+]C[C@@H](O)COc2ccc(Br)cc2)nc1 ZINC000819313760 675280413 /nfs/dbraw/zinc/28/04/13/675280413.db2.gz KXQNTIFXUQKFCY-OAHLLOKOSA-N 1 0 362.227 2.245 20 30 FEEDRO C[C@@H]1C[N@@H+](C)C[C@H](C)N1C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C ZINC000819429684 675289841 /nfs/dbraw/zinc/28/98/41/675289841.db2.gz RZGBCPZNOLOVDM-ZNMIVQPWSA-N 1 0 352.479 2.125 20 30 FEEDRO COC1CC[NH+](C2(CNC(=O)N3CC[C@](F)(C#N)C3)CCCC2)CC1 ZINC000615540530 676218276 /nfs/dbraw/zinc/21/82/76/676218276.db2.gz VWFPVSOJTFQJLF-KRWDZBQOSA-N 1 0 352.454 2.057 20 30 FEEDRO C#C[C@@H](NC(=O)N(C)CCCN1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000820565064 675370768 /nfs/dbraw/zinc/37/07/68/675370768.db2.gz JOYPUIYGRFHKDV-GOSISDBHSA-N 1 0 362.905 2.293 20 30 FEEDRO CC[NH+]1CCC(NC(=O)COc2ccc(C#N)cc2)(C(F)(F)F)CC1 ZINC000821654779 675445102 /nfs/dbraw/zinc/44/51/02/675445102.db2.gz UULVOEIHRAFDAH-UHFFFAOYSA-N 1 0 355.360 2.470 20 30 FEEDRO Cn1c(Cl)ncc1C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000824253272 675591883 /nfs/dbraw/zinc/59/18/83/675591883.db2.gz MRUCDNVBJAHSBF-UHFFFAOYSA-N 1 0 357.845 2.340 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1ccc2n[nH]c(=S)n2c1)C(C)C ZINC000825437640 675653201 /nfs/dbraw/zinc/65/32/01/675653201.db2.gz IUKMOAWHSWRGFV-OAHLLOKOSA-N 1 0 359.499 2.446 20 30 FEEDRO CC(C)[C@@H](C[NH+](C)C)NC(=O)COc1ccc(C#N)c(Br)c1 ZINC000825891886 675673205 /nfs/dbraw/zinc/67/32/05/675673205.db2.gz WGQXZVHVWUOTSS-OAHLLOKOSA-N 1 0 368.275 2.402 20 30 FEEDRO N#Cc1ccc2c(c1)C[C@@H](NC(=O)C1CC[NH+]([C@@H]3CCSC3)CC1)C2 ZINC000829485326 675880695 /nfs/dbraw/zinc/88/06/95/675880695.db2.gz BDONILAGZKPZEZ-RBUKOAKNSA-N 1 0 355.507 2.359 20 30 FEEDRO COC1(CO)CC[NH+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000618550715 676343946 /nfs/dbraw/zinc/34/39/46/676343946.db2.gz BBVQUEAHMZQLLR-UHFFFAOYSA-N 1 0 351.834 2.014 20 30 FEEDRO N#Cc1ccc(N2CCC[C@H]([N@H+](CCO)[C@H]3CCCSC3)C2=O)cc1 ZINC000619569058 676385470 /nfs/dbraw/zinc/38/54/70/676385470.db2.gz FVELGEGARWUOAQ-ROUUACIJSA-N 1 0 359.495 2.244 20 30 FEEDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)NCc1ccc(C#N)c(Cl)c1 ZINC000619758741 676393670 /nfs/dbraw/zinc/39/36/70/676393670.db2.gz DNHGMDZMWIVMPF-OAHLLOKOSA-N 1 0 350.850 2.122 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)NCCc1cccc(Br)c1 ZINC000838621799 680706579 /nfs/dbraw/zinc/70/65/79/680706579.db2.gz CJOOGMAJZOVPIA-UHFFFAOYSA-N 1 0 352.276 2.246 20 30 FEEDRO C[C@H](O)C[N@H+](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)C1CC1 ZINC000653899862 677553806 /nfs/dbraw/zinc/55/38/06/677553806.db2.gz JNKGCJOGMQADRS-ZDUSSCGKSA-N 1 0 354.372 2.018 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000656360473 677749281 /nfs/dbraw/zinc/74/92/81/677749281.db2.gz UAIINQKRRIANLM-IAGOWNOFSA-N 1 0 361.511 2.396 20 30 FEEDRO N#C[C@@H](c1ccc(Br)cc1)N1CC[NH+](C[C@@H](O)C2CC2)CC1 ZINC000838908555 680726866 /nfs/dbraw/zinc/72/68/66/680726866.db2.gz GGUDRIVCKGLRMJ-DLBZAZTESA-N 1 0 364.287 2.402 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](CO)c2ccc(F)cc2F)CC1 ZINC000660596649 678362243 /nfs/dbraw/zinc/36/22/43/678362243.db2.gz HTKVGIDXCAWTOJ-KRWDZBQOSA-N 1 0 353.413 2.338 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CC[C@H]2NC(=O)CC[C@H]2C1 ZINC000661597638 678509102 /nfs/dbraw/zinc/50/91/02/678509102.db2.gz MBZWBZZHMUGTNA-YQQAZPJKSA-N 1 0 361.511 2.252 20 30 FEEDRO C=CC[C@]1(C(=O)Nc2ccc(C)c(N3CCCS3(=O)=O)c2)CCC[NH2+]1 ZINC000662623175 678644016 /nfs/dbraw/zinc/64/40/16/678644016.db2.gz IGTATZCJSBESIG-GOSISDBHSA-N 1 0 363.483 2.172 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2nccc(C(F)(F)F)n2)CC1 ZINC000665713072 678978573 /nfs/dbraw/zinc/97/85/73/678978573.db2.gz NTYBYJYLROHCKB-UHFFFAOYSA-N 1 0 357.380 2.335 20 30 FEEDRO C=C[C@@](C)(O)C(=O)NC1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000668911194 679208115 /nfs/dbraw/zinc/20/81/15/679208115.db2.gz PUBSSMDHFXNKDW-GOSISDBHSA-N 1 0 352.862 2.236 20 30 FEEDRO COCC#CCN(CCNC(C)=O)Cc1ccc(Br)s1 ZINC000669705790 679249816 /nfs/dbraw/zinc/24/98/16/679249816.db2.gz IFGBZVZVGVDCRK-UHFFFAOYSA-N 1 0 359.289 2.099 20 30 FEEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)Nc1cc(Cl)ccc1OC[C@H]1CCCO1 ZINC000841082558 680862499 /nfs/dbraw/zinc/86/24/99/680862499.db2.gz ZOGKXPFIMWVLFE-UXIGCNINSA-N 1 0 364.833 2.131 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCc2ccc(F)c(F)c2)C1 ZINC001019405792 680092259 /nfs/dbraw/zinc/09/22/59/680092259.db2.gz PROWCSGEDSCCGE-DAYGRLMNSA-N 1 0 350.409 2.289 20 30 FEEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH2+]C1(C(N)=O)CCCC1 ZINC000750048467 680098086 /nfs/dbraw/zinc/09/80/86/680098086.db2.gz IZQAWALAWXDOIS-CYBMUJFWSA-N 1 0 360.483 2.407 20 30 FEEDRO C=C(Cl)C(C)(C)C(=O)N1C[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)[C@H](C)C1 ZINC000993836167 680191673 /nfs/dbraw/zinc/19/16/73/680191673.db2.gz FFUBAJAWSWNVPT-YUELXQCFSA-N 1 0 355.910 2.070 20 30 FEEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)CCCCc1ccc(Br)cc1 ZINC000834490174 680234010 /nfs/dbraw/zinc/23/40/10/680234010.db2.gz SGNRPTYHHMDRJY-DZGCQCFKSA-N 1 0 350.260 2.390 20 30 FEEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1 ZINC000834494676 680234909 /nfs/dbraw/zinc/23/49/09/680234909.db2.gz OUYSZINDKDGQGO-RNCFNFMXSA-N 1 0 350.209 2.020 20 30 FEEDRO CC(C)c1c(C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)cnn1-c1ccccc1Cl ZINC000834500963 680235803 /nfs/dbraw/zinc/23/58/03/680235803.db2.gz YNSIICSILIULJI-SWLSCSKDSA-N 1 0 357.845 2.490 20 30 FEEDRO Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000834506630 680236318 /nfs/dbraw/zinc/23/63/18/680236318.db2.gz UOAKGNPQWALFCC-GJZGRUSLSA-N 1 0 357.845 2.043 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1CC1CCOCC1 ZINC001024443252 680289701 /nfs/dbraw/zinc/28/97/01/680289701.db2.gz FXLRPSLWCZPVTG-OTWHNJEPSA-N 1 0 350.503 2.365 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([NH2+]CC(=C)Br)CC1 ZINC000996602121 680336532 /nfs/dbraw/zinc/33/65/32/680336532.db2.gz XRZBKGDPZLISOU-CABCVRRESA-N 1 0 357.292 2.457 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@@H]3CCCC(F)(F)C3)C[C@H]21 ZINC001026056993 680340562 /nfs/dbraw/zinc/34/05/62/680340562.db2.gz OLWUBXIAAPAQKS-FFRIZKCHSA-N 1 0 354.441 2.449 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC(C[NH2+]CC2CCOCC2)CC1 ZINC000997785058 680366050 /nfs/dbraw/zinc/36/60/50/680366050.db2.gz ILUDXGKJUNOEHI-MOPGFXCFSA-N 1 0 350.503 2.222 20 30 FEEDRO C=C(C)CC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CN(C)C[C@@H](C)O2)CC1 ZINC000998046879 680372941 /nfs/dbraw/zinc/37/29/41/680372941.db2.gz PFDGTFFQCUGVKT-GUDVDZBRSA-N 1 0 351.535 2.375 20 30 FEEDRO O=C(NC[C@@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)C1)[C@]12C[C@H]1COC2 ZINC001028554351 680376549 /nfs/dbraw/zinc/37/65/49/680376549.db2.gz FFBCTQCNBRDKHK-ZWOKBUDYSA-N 1 0 358.869 2.166 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+](CC2CCOCC2)C1 ZINC001028858261 680385077 /nfs/dbraw/zinc/38/50/77/680385077.db2.gz HALLHFWTYLLMKN-FHWLQOOXSA-N 1 0 350.503 2.222 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([C@H](C)[NH2+]CC2CCOCC2)CC1 ZINC001029146847 680387372 /nfs/dbraw/zinc/38/73/72/680387372.db2.gz WLUJPDQXZIBAIG-IPELMVKDSA-N 1 0 350.503 2.221 20 30 FEEDRO C=C(Cl)C[NH2+]C1CC(N(C)C(=O)[C@@H]2CCCC[C@@H]2N2CCCC2=O)C1 ZINC000998926446 680391261 /nfs/dbraw/zinc/39/12/61/680391261.db2.gz UHGAHTPXIOMCCQ-BACDZXNISA-N 1 0 367.921 2.499 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]C[C@@H]2CCCCO2)C1 ZINC000984904775 680394576 /nfs/dbraw/zinc/39/45/76/680394576.db2.gz DMXOHJUJWDJOES-VMXHOPILSA-N 1 0 350.503 2.411 20 30 FEEDRO C=C(Br)C[NH2+]C1CC(N(C)C(=O)[C@]23CCC[C@H]2OCC3)C1 ZINC000999109136 680395603 /nfs/dbraw/zinc/39/56/03/680395603.db2.gz PEFLFSKWYGMAAQ-MNSOJDNVSA-N 1 0 357.292 2.433 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)C1CC([NH2+]CC2CCOCC2)C1 ZINC000999525340 680405223 /nfs/dbraw/zinc/40/52/23/680405223.db2.gz FPAHLQWILLTOKK-BTRQGYIVSA-N 1 0 350.503 2.363 20 30 FEEDRO C=C(Cl)CN1CC[C@@H](N(C)C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001033092921 680417081 /nfs/dbraw/zinc/41/70/81/680417081.db2.gz SANWCIUPAOXEAO-KURKYZTESA-N 1 0 369.937 2.019 20 30 FEEDRO C=C(Cl)C(C)(C)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+]1CC[C@H](C)C1)C2 ZINC001000487323 680433728 /nfs/dbraw/zinc/43/37/28/680433728.db2.gz YIOYASBOCLZRMG-UKMLZYKCSA-N 1 0 367.921 2.355 20 30 FEEDRO C=C(Cl)C[N@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)C3)CC2)C1 ZINC001039159038 680462402 /nfs/dbraw/zinc/46/24/02/680462402.db2.gz BHYYMKQBGFNHOI-IKGGRYGDSA-N 1 0 367.921 2.201 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC([N@H+](C)CC[C@H]2CCOC2)CC1 ZINC000985695494 680471371 /nfs/dbraw/zinc/47/13/71/680471371.db2.gz WOWZOBGVWZZIKZ-WDSOQIARSA-N 1 0 350.503 2.317 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)N1CCC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC000836488774 680476058 /nfs/dbraw/zinc/47/60/58/680476058.db2.gz NKGBHRZUJXXPSK-INIZCTEOSA-N 1 0 351.491 2.095 20 30 FEEDRO C#CC[N@H+]1CCC[C@H]1COC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC000756542373 680483980 /nfs/dbraw/zinc/48/39/80/680483980.db2.gz IBYKKVLAEPKYSR-PBHICJAKSA-N 1 0 360.841 2.334 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)Nc2cc(N(C)C)c(Br)cn2)CC1 ZINC000837018224 680542895 /nfs/dbraw/zinc/54/28/95/680542895.db2.gz RIGUYIVVEXBOPI-UHFFFAOYSA-N 1 0 365.275 2.194 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)NC1(C)CC[NH+](CC[C@@H]2CCOC2)CC1 ZINC001045442736 680629730 /nfs/dbraw/zinc/62/97/30/680629730.db2.gz OBUSYUHPSWPTNA-KURKYZTESA-N 1 0 350.503 2.365 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)NC1(C)CC[NH+](C[C@@H]2CCCOC2)CC1 ZINC001045443122 680629735 /nfs/dbraw/zinc/62/97/35/680629735.db2.gz WQBUIRFKJFQQGQ-KSZLIROESA-N 1 0 350.503 2.365 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1CC2(CO1)CC[NH+](CC)CC2 ZINC001045682437 680638570 /nfs/dbraw/zinc/63/85/70/680638570.db2.gz RDPLSPXUQBQRTL-BZSNNMDCSA-N 1 0 350.503 2.365 20 30 FEEDRO CCOC(=O)c1c(CC)c(C)sc1NC(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000841157469 680866435 /nfs/dbraw/zinc/86/64/35/680866435.db2.gz WAMYHUMRVYGRJK-ZYHUDNBSSA-N 1 0 350.444 2.029 20 30 FEEDRO COC(=O)c1c2c(sc1NC(=O)N[C@H]1C[NH2+]C[C@H]1C#N)CCCCC2 ZINC000841159964 680866709 /nfs/dbraw/zinc/86/67/09/680866709.db2.gz OEYGWDYYDDDGJS-PWSUYJOCSA-N 1 0 362.455 2.037 20 30 FEEDRO CCS(=O)(=O)CCNC(NCCc1ccc(OC)cc1)=[NH+]C(C)(C)C ZINC000912509993 685388780 /nfs/dbraw/zinc/38/87/80/685388780.db2.gz XQYWTEKUROSNPX-UHFFFAOYSA-N 1 0 369.531 2.006 20 30 FEEDRO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)[C@H](O)c1cccc(F)c1 ZINC000843100403 680987791 /nfs/dbraw/zinc/98/77/91/680987791.db2.gz CWEPXSRSHFLAEP-ACJLOTCBSA-N 1 0 362.426 2.183 20 30 FEEDRO C[C@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)[C@@H](O)c1cccc(F)c1 ZINC000843105025 680987990 /nfs/dbraw/zinc/98/79/90/680987990.db2.gz RUGRJEMRCUZAIQ-SCLBCKFNSA-N 1 0 362.426 2.183 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(C1)CC[NH+](Cc1scnc1C)CC2 ZINC001050670243 681053252 /nfs/dbraw/zinc/05/32/52/681053252.db2.gz FSQQRPANFQHEJK-CVEARBPZSA-N 1 0 361.511 2.467 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@H](C[NH2+]Cc2cccc(Cl)c2)C1 ZINC001051834077 681069593 /nfs/dbraw/zinc/06/95/93/681069593.db2.gz GJUNKMCVLKCOOG-KURKYZTESA-N 1 0 364.873 2.248 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CC2CCOCC2)CC1 ZINC001052388345 681076506 /nfs/dbraw/zinc/07/65/06/681076506.db2.gz GBOPKOSAFRWGIK-QRVBRYPASA-N 1 0 350.503 2.365 20 30 FEEDRO C=C(Br)CN1CCC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001052393094 681076929 /nfs/dbraw/zinc/07/69/29/681076929.db2.gz DVSDUEOECKPKNJ-QLFBSQMISA-N 1 0 358.324 2.206 20 30 FEEDRO CC(C)C[NH2+]C1(CO)CCN(C(=O)c2cc(F)c(C#N)c(F)c2)CC1 ZINC000912589589 685400673 /nfs/dbraw/zinc/40/06/73/685400673.db2.gz WHASITFOUVXBEM-UHFFFAOYSA-N 1 0 351.397 2.049 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@@]2(CC[N@H+](CCCO)C2)C1 ZINC001054212625 681106545 /nfs/dbraw/zinc/10/65/45/681106545.db2.gz JSWOFWBIWAYMRO-BJLQDIEVSA-N 1 0 350.503 2.055 20 30 FEEDRO C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1CNc1snc(Cl)c1C#N ZINC001054409155 681107479 /nfs/dbraw/zinc/10/74/79/681107479.db2.gz OZYTYDXNGPXRLH-GRYCIOLGSA-N 1 0 367.906 2.126 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)CC(F)(F)CNC(=O)OC(C)(C)C)CC1 ZINC000845450242 681128871 /nfs/dbraw/zinc/12/88/71/681128871.db2.gz WSGFCRRMWUAROZ-UHFFFAOYSA-N 1 0 361.433 2.303 20 30 FEEDRO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](Nc3nc(C#N)c(Cl)s3)C2)CC[N@@H+]1C ZINC001056802964 681156812 /nfs/dbraw/zinc/15/68/12/681156812.db2.gz NHFCTBPUXRFPJP-NTZNESFSSA-N 1 0 367.906 2.411 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C[C@H](NC(=O)OC(C)(C)C)C(F)F)CC1 ZINC000932140830 681183233 /nfs/dbraw/zinc/18/32/33/681183233.db2.gz JZNUSEOHTPKRIH-ZDUSSCGKSA-N 1 0 361.433 2.302 20 30 FEEDRO N#CC[C@H](NC(=O)N1CCC(OCC[NH+]2CCCC2)CC1)C(F)(F)F ZINC000932917740 681328040 /nfs/dbraw/zinc/32/80/40/681328040.db2.gz WXJJVQHYLJVPRM-AWEZNQCLSA-N 1 0 362.396 2.117 20 30 FEEDRO COc1cccc([C@@H](CNC(=O)N[C@H](CC#N)C(F)(F)F)[NH+](C)C)c1 ZINC000932928915 681330181 /nfs/dbraw/zinc/33/01/81/681330181.db2.gz VAQLPHMYWBITDV-ZIAGYGMSSA-N 1 0 358.364 2.442 20 30 FEEDRO CC(=O)[C@](C)(O)C[N@@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932943947 681332486 /nfs/dbraw/zinc/33/24/86/681332486.db2.gz LOKDNWPKNRIRMH-HRDYMLBCSA-N 1 0 369.252 2.429 20 30 FEEDRO C#C[C@H]([NH2+][C@H](C)C(=O)N(C)Cc1nc2ccccc2s1)[C@H]1CCCO1 ZINC000775784920 681335133 /nfs/dbraw/zinc/33/51/33/681335133.db2.gz MIEYLSUGJUPKGA-IJEWVQPXSA-N 1 0 357.479 2.414 20 30 FEEDRO C#C[C@H]([NH2+]CCc1nc2sc3c(c2c(N)n1)CCCC3)[C@@H]1CCCO1 ZINC000775795952 681335784 /nfs/dbraw/zinc/33/57/84/681335784.db2.gz QMDLIZWEPYKPFU-KBPBESRZSA-N 1 0 356.495 2.465 20 30 FEEDRO C[NH+]1CCC(NC(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)CC1 ZINC000847297434 681360165 /nfs/dbraw/zinc/36/01/65/681360165.db2.gz IGJLOUXGQFLNCL-OAHLLOKOSA-N 1 0 352.479 2.174 20 30 FEEDRO C=C(Br)CNC(=O)C1CC[NH+](C2CCN(CC)CC2)CC1 ZINC000847393821 681373081 /nfs/dbraw/zinc/37/30/81/681373081.db2.gz ILWXTZPLHCMWID-UHFFFAOYSA-N 1 0 358.324 2.208 20 30 FEEDRO C#CCC[NH+]1CCN(CCOc2ccc(C(=O)OC)cc2Cl)CC1 ZINC000776593465 681412548 /nfs/dbraw/zinc/41/25/48/681412548.db2.gz YGBPAYVREJZTBY-UHFFFAOYSA-N 1 0 350.846 2.146 20 30 FEEDRO CN1CCN(c2ccc(NC(=O)[C@@H]([NH3+])CCCCC#N)cc2Cl)CC1 ZINC000848414877 681536565 /nfs/dbraw/zinc/53/65/65/681536565.db2.gz FOMNURDBAAHHAZ-INIZCTEOSA-N 1 0 363.893 2.442 20 30 FEEDRO C#CCOc1cccc(Cl)c1C[NH2+]C[C@H]1CC[C@@H](C(=O)N(C)C)O1 ZINC000778178246 681582685 /nfs/dbraw/zinc/58/26/85/681582685.db2.gz KSGSXPXPSJDRIT-DYVFJYSZSA-N 1 0 350.846 2.077 20 30 FEEDRO C[C@@H]1CC=CC[C@H]1[NH2+]CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 ZINC000934620945 681601550 /nfs/dbraw/zinc/60/15/50/681601550.db2.gz MMPXJGGUKWREBG-BRWVUGGUSA-N 1 0 358.511 2.401 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCOC2(CC[NH+](CCCF)CC2)C1 ZINC000949095526 681616839 /nfs/dbraw/zinc/61/68/39/681616839.db2.gz OSOKHZMIIHXORC-SJORKVTESA-N 1 0 354.466 2.021 20 30 FEEDRO CCNC(NC[C@H](CO)Cc1cccc(Br)c1C)=[NH+]CC ZINC000849109795 681655071 /nfs/dbraw/zinc/65/50/71/681655071.db2.gz HUNLBPWURINPKM-CYBMUJFWSA-N 1 0 356.308 2.484 20 30 FEEDRO CC(C)(C)OC(=O)NCCNC(=[NH2+])NCc1ccc(C#N)c(Cl)c1 ZINC000849113443 681656570 /nfs/dbraw/zinc/65/65/70/681656570.db2.gz FMIMJJWVDZRKBC-UHFFFAOYSA-N 1 0 351.838 2.350 20 30 FEEDRO C#CCN(CC(=O)OC(C)(C)C)C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000849227958 681669047 /nfs/dbraw/zinc/66/90/47/681669047.db2.gz WZCMGQDOXKMKGL-AWEZNQCLSA-N 1 0 365.499 2.337 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N(CC)C1C[NH+](C[C@@H](OC)C2CCCC2)C1 ZINC000951785435 681756432 /nfs/dbraw/zinc/75/64/32/681756432.db2.gz NVDXDFLVQPRHPZ-CEXWTWQISA-N 1 0 350.503 2.315 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(CC)C1C[NH+](C[C@@H]2CCCOC2)C1 ZINC000952429273 681784210 /nfs/dbraw/zinc/78/42/10/681784210.db2.gz KLUOPBXVNDMVGQ-WDSOQIARSA-N 1 0 350.503 2.317 20 30 FEEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)Nc1ncc(Cc2c(F)cccc2F)s1 ZINC000850763586 681957622 /nfs/dbraw/zinc/95/76/22/681957622.db2.gz GQGSGWMWZHAAMN-OTYXRUKQSA-N 1 0 363.393 2.245 20 30 FEEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)Nc1ncc(Cc2cc(F)cc(F)c2)s1 ZINC000850764791 681958145 /nfs/dbraw/zinc/95/81/45/681958145.db2.gz TVHZHLMNFJVVEQ-QMTHXVAHSA-N 1 0 363.393 2.245 20 30 FEEDRO Cc1nn(-c2cc[nH+]cc2)cc1C=NNS(=O)(=O)c1ccc(C)cc1 ZINC000783782652 682176265 /nfs/dbraw/zinc/17/62/65/682176265.db2.gz FUMLYYGLIWVKJK-UHFFFAOYSA-N 1 0 355.423 2.197 20 30 FEEDRO COCCOc1ccc(C#N)cc1NC(=S)NCC(C)(C)C[NH+](C)C ZINC000783790045 682177128 /nfs/dbraw/zinc/17/71/28/682177128.db2.gz UDGJDWFNZFEQMU-UHFFFAOYSA-N 1 0 364.515 2.458 20 30 FEEDRO N#Cc1c(F)cccc1S(=O)(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000851894714 682180223 /nfs/dbraw/zinc/18/02/23/682180223.db2.gz PODIVIOUSSTRDC-CQSZACIVSA-N 1 0 351.447 2.098 20 30 FEEDRO Cc1nn(-c2cc[nH+]cc2)cc1C=NNS(=O)(=O)c1ccc(F)cc1 ZINC000783854464 682181637 /nfs/dbraw/zinc/18/16/37/682181637.db2.gz SHPAOEFVPKOUHL-UHFFFAOYSA-N 1 0 359.386 2.027 20 30 FEEDRO C#CCOCCNC(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000784399828 682223046 /nfs/dbraw/zinc/22/30/46/682223046.db2.gz DRWUIJBGFUCULR-RHSMWYFYSA-N 1 0 367.852 2.421 20 30 FEEDRO C[NH+](C)[C@@H](CNc1cccc(S(N)(=O)=O)c1C#N)c1cccc(F)c1 ZINC000784555075 682237563 /nfs/dbraw/zinc/23/75/63/682237563.db2.gz KGTZOAMTEBEYAD-INIZCTEOSA-N 1 0 362.430 2.060 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CCc2csc(C)n2)C1 ZINC000969691499 682272787 /nfs/dbraw/zinc/27/27/87/682272787.db2.gz HHVUFPBEBGWNKC-XWIAVFTESA-N 1 0 363.527 2.412 20 30 FEEDRO C=CCNC(=O)[C@@H](C)SCC[NH+]1CCN(c2cccc(OC)c2)CC1 ZINC000918746409 685541929 /nfs/dbraw/zinc/54/19/29/685541929.db2.gz YGKPYBACDAJQBJ-MRXNPFEDSA-N 1 0 363.527 2.241 20 30 FEEDRO COc1ccc(CNC(=O)C#CC2CC[NH2+]CC2)cc1Br ZINC000852829441 682347767 /nfs/dbraw/zinc/34/77/67/682347767.db2.gz ALZXGUGWAIKKFE-UHFFFAOYSA-N 1 0 351.244 2.077 20 30 FEEDRO C=CCn1cc(C(=O)O[C@H](C[NH+](C)C)c2cc(F)c(F)c(F)c2)nn1 ZINC000853215460 682392421 /nfs/dbraw/zinc/39/24/21/682392421.db2.gz SDTOVAKAUAXHFC-CQSZACIVSA-N 1 0 354.332 2.341 20 30 FEEDRO C[NH+](C)CCOC1CCN(c2cc(Br)cnc2C#N)CC1 ZINC000853322069 682405426 /nfs/dbraw/zinc/40/54/26/682405426.db2.gz LDWFGPBNDCXUGN-UHFFFAOYSA-N 1 0 353.264 2.263 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@]2(C1)C[N@H+](CCC(C)(C)C)CCO2 ZINC000972560793 682421692 /nfs/dbraw/zinc/42/16/92/682421692.db2.gz GDUIEGVOBJSJSW-FUHIMQAGSA-N 1 0 350.503 2.317 20 30 FEEDRO C#CCN(CC(=O)OC(C)(C)C)C(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000853983311 682498592 /nfs/dbraw/zinc/49/85/92/682498592.db2.gz DPXMNYBLEOEGGG-MRXNPFEDSA-N 1 0 351.491 2.237 20 30 FEEDRO COC(=O)CC[NH+]1CCC(N=Nc2nnc(-c3ccccn3)s2)CC1 ZINC000788726935 682554057 /nfs/dbraw/zinc/55/40/57/682554057.db2.gz XRFIPXVKWHAYHL-UHFFFAOYSA-N 1 0 360.443 2.027 20 30 FEEDRO C=CCCC[NH2+][C@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000790495665 682682014 /nfs/dbraw/zinc/68/20/14/682682014.db2.gz KHTJMMKXSRHUTP-CYBMUJFWSA-N 1 0 360.501 2.029 20 30 FEEDRO C#CCCN1CCN(C(=O)Cc2ccc(OC)c(OC(F)F)c2)CC1 ZINC000859003275 683024812 /nfs/dbraw/zinc/02/48/12/683024812.db2.gz JCKLPLJCNGTHNZ-UHFFFAOYSA-N 1 0 352.381 2.007 20 30 FEEDRO COC[C@]1(C[NH2+]C[C@@H](C#N)CCC#N)CCCN1C(=O)OC(C)(C)C ZINC000795353873 683043764 /nfs/dbraw/zinc/04/37/64/683043764.db2.gz RGUZBQMFNRPJSN-CRAIPNDOSA-N 1 0 350.463 2.436 20 30 FEEDRO C=CC[C@H]1CC[N@@H+](CCC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000859445099 683111057 /nfs/dbraw/zinc/11/10/57/683111057.db2.gz AZFBXGVHERWEST-INIZCTEOSA-N 1 0 351.491 2.354 20 30 FEEDRO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@]2(C)CN(C(=O)OC(C)(C)C)C[C@@]2(C)C1 ZINC000860034460 683191329 /nfs/dbraw/zinc/19/13/29/683191329.db2.gz URSPDMVXJAFWHV-ZMYBRWDISA-N 1 0 351.491 2.256 20 30 FEEDRO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@]2(C)CN(C(=O)OC(C)(C)C)C[C@@]2(C)C1 ZINC000860034461 683191589 /nfs/dbraw/zinc/19/15/89/683191589.db2.gz URSPDMVXJAFWHV-ZOCIIQOWSA-N 1 0 351.491 2.256 20 30 FEEDRO C#CCSCC[NH2+][C@H](C1CC1)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000796815937 683197847 /nfs/dbraw/zinc/19/78/47/683197847.db2.gz GBJOLDOCHGUSSV-HZPDHXFCSA-N 1 0 354.516 2.357 20 30 FEEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N1C[C@H]([NH3+])C(C)(C)C1 ZINC000927852179 683325514 /nfs/dbraw/zinc/32/55/14/683325514.db2.gz CACKNWSJQABEJX-DOMZBBRYSA-N 1 0 360.483 2.073 20 30 FEEDRO CCCCCCCS(=O)(=O)N[C@@H]1C[C@]2(C[N@H+](C)[C@H]2C(C)C)C[C@H]1O ZINC000920274165 683328067 /nfs/dbraw/zinc/32/80/67/683328067.db2.gz MMXZJJLTAMFUSO-ZJPYXAASSA-N 1 0 360.564 2.356 20 30 FEEDRO N#Cc1cc(F)cc(C2(C(=O)N[C@H]3CCC[N@@H+]4CCSC[C@@H]34)CC2)c1 ZINC000928080947 683373523 /nfs/dbraw/zinc/37/35/23/683373523.db2.gz NBZYNXJHAJIQLX-IRXDYDNUSA-N 1 0 359.470 2.425 20 30 FEEDRO N#Cc1ccc(-c2cccc(CNC(=O)NCCOCCC[NH3+])c2)s1 ZINC000861590581 683439442 /nfs/dbraw/zinc/43/94/42/683439442.db2.gz XAHAPGKYLNYNIE-UHFFFAOYSA-N 1 0 358.467 2.451 20 30 FEEDRO CCCCCCCNC(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000861786265 683473762 /nfs/dbraw/zinc/47/37/62/683473762.db2.gz UWLLGIVQYUNVEE-OLZOCXBDSA-N 1 0 351.413 2.059 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000928655426 683482353 /nfs/dbraw/zinc/48/23/53/683482353.db2.gz REGUHUYBAMIFHB-UHFFFAOYSA-N 1 0 366.215 2.185 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)c2ccc(OC)cc2Br)CC1 ZINC000928658058 683483015 /nfs/dbraw/zinc/48/30/15/683483015.db2.gz KHXBCFIJMKWZGR-UHFFFAOYSA-N 1 0 351.244 2.285 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)[C@H]1[C@@H]2c3cccc(Br)c3C[C@H]12 ZINC000861837330 683483714 /nfs/dbraw/zinc/48/37/14/683483714.db2.gz AKZQHCAQDCEXAN-USXIJHARSA-N 1 0 361.283 2.406 20 30 FEEDRO CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000800007794 683519267 /nfs/dbraw/zinc/51/92/67/683519267.db2.gz PMQSPFYXYNPFBN-IAGOWNOFSA-N 1 0 358.552 2.059 20 30 FEEDRO C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)CCc1ccc(Cl)cc1 ZINC000922024042 683639403 /nfs/dbraw/zinc/63/94/03/683639403.db2.gz ZVPIYEFHOYFWGK-UHFFFAOYSA-N 1 0 354.903 2.242 20 30 FEEDRO N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000922242663 683686539 /nfs/dbraw/zinc/68/65/39/683686539.db2.gz MPYQTWDVIOGFQH-RCCFBDPRSA-N 1 0 356.495 2.425 20 30 FEEDRO N#CC1(C[C@H](O)C[NH2+]C[C@H](O)c2ccc(Cl)c(F)c2)CCOCC1 ZINC000863563386 683742547 /nfs/dbraw/zinc/74/25/47/683742547.db2.gz PTXXRXZPKVLJPF-BBRMVZONSA-N 1 0 356.825 2.173 20 30 FEEDRO C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000864940454 683911783 /nfs/dbraw/zinc/91/17/83/683911783.db2.gz UOJJPXOXHXFZIL-KGLIPLIRSA-N 1 0 359.898 2.479 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)[C@@]2(NC(=O)OC(C)(C)C)CC2(F)F)CC1 ZINC000865193704 683949115 /nfs/dbraw/zinc/94/91/15/683949115.db2.gz NTMQVBDGQQQZAO-INIZCTEOSA-N 1 0 359.417 2.056 20 30 FEEDRO C[NH+]1CCC(C#N)(NC(=O)[C@H]2CC(c3cccc(Cl)c3F)=NO2)CC1 ZINC000865199454 683949903 /nfs/dbraw/zinc/94/99/03/683949903.db2.gz SEQJVRCTWBNOMX-CQSZACIVSA-N 1 0 364.808 2.076 20 30 FEEDRO N#C[C@]1(C(=O)NCC2([NH+]3CCSCC3)CCCCC2)CCCOC1 ZINC000865734774 684020786 /nfs/dbraw/zinc/02/07/86/684020786.db2.gz NVLKGXTYWADAAH-QGZVFWFLSA-N 1 0 351.516 2.175 20 30 FEEDRO Cc1ccc(CN(CC[NH+](C)C)S(=O)(=O)c2cc(F)cc(C#N)c2)o1 ZINC000866552454 684118626 /nfs/dbraw/zinc/11/86/26/684118626.db2.gz AVTZQQSFMHEAQF-UHFFFAOYSA-N 1 0 365.430 2.351 20 30 FEEDRO CNS(=O)(=O)c1ccc(CC[NH2+][C@H](C)c2ccc(C#N)c(F)c2)cc1 ZINC000866580044 684122528 /nfs/dbraw/zinc/12/25/28/684122528.db2.gz XLSSQAHAKXDCFO-CYBMUJFWSA-N 1 0 361.442 2.499 20 30 FEEDRO N#Cc1cc(S(=O)(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)ccc1C(F)(F)F ZINC000866822232 684161140 /nfs/dbraw/zinc/16/11/40/684161140.db2.gz ALVKVLPGWBFTTQ-ZIAGYGMSSA-N 1 0 359.373 2.092 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)NCc2cc(F)ccc2OC(F)F)CC1 ZINC000923341725 684266474 /nfs/dbraw/zinc/26/64/74/684266474.db2.gz SKOJPVUDJSTBHP-UHFFFAOYSA-N 1 0 355.360 2.324 20 30 FEEDRO C[NH+]1CCC2(CCN(S(=O)(=O)Cc3cc(C#N)ccc3F)CC2)CC1 ZINC000867618494 684332922 /nfs/dbraw/zinc/33/29/22/684332922.db2.gz GTUWKVVHLFZGTE-UHFFFAOYSA-N 1 0 365.474 2.335 20 30 FEEDRO C[C@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)CC[C@H]1C[NH3+] ZINC000923704851 684336593 /nfs/dbraw/zinc/33/65/93/684336593.db2.gz UYKQCUARVQXVSF-QWRGUYRKSA-N 1 0 361.389 2.182 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)Nc1nn(CC(F)(F)F)cc1Cl ZINC000931801799 684350924 /nfs/dbraw/zinc/35/09/24/684350924.db2.gz HCNKKVVBDZPWTB-UHFFFAOYSA-N 1 0 351.760 2.175 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CC[C@H](C2OCCO2)C1 ZINC000932003596 684387013 /nfs/dbraw/zinc/38/70/13/684387013.db2.gz WRXKTQZTDKQVNO-CABCVRRESA-N 1 0 350.484 2.346 20 30 FEEDRO C=CCCC[C@@H]1NC(=O)N([C@@H]2CC[N@@H+](CCCOCC)C[C@H]2C)C1=O ZINC000924630980 684475858 /nfs/dbraw/zinc/47/58/58/684475858.db2.gz CKWYCEVTEOGDMW-IXDOHACOSA-N 1 0 351.491 2.400 20 30 FEEDRO N#CCCCC[C@@H]([NH3+])C(=O)N[C@H]1COc2cccc(Br)c2C1 ZINC000871008347 684779491 /nfs/dbraw/zinc/77/94/91/684779491.db2.gz RZAXCHBWMNZAGF-BXUZGUMPSA-N 1 0 366.259 2.280 20 30 FEEDRO CN1Cc2ccccc2[C@@H]1C[NH2+]CCS(=O)(=O)c1cccc(C#N)c1 ZINC000872236254 684930656 /nfs/dbraw/zinc/93/06/56/684930656.db2.gz PEXTVHJENQDJBQ-IBGZPJMESA-N 1 0 355.463 2.108 20 30 FEEDRO CCn1c(=O)c2ccccc2nc1N=NC1CCC[N@@H+]2CCSC[C@@H]12 ZINC000872337603 684937847 /nfs/dbraw/zinc/93/78/47/684937847.db2.gz DDDAFLNUTLOQOX-INIZCTEOSA-N 1 0 357.483 2.396 20 30 FEEDRO C=CC(C)(C)CCCNC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000872886437 685028887 /nfs/dbraw/zinc/02/88/87/685028887.db2.gz RDEZUPZXIJMXAS-UHFFFAOYSA-N 1 0 352.523 2.221 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)N(C)C[C@@H](O)c1cccc(Br)c1 ZINC000910424958 685052407 /nfs/dbraw/zinc/05/24/07/685052407.db2.gz SEGJOKXTWXBIFK-OAHLLOKOSA-N 1 0 355.276 2.449 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@@H](CCC(=O)OC)C2)CC1 ZINC000875248334 685764740 /nfs/dbraw/zinc/76/47/40/685764740.db2.gz RKGKAOCBAZDRSO-INIZCTEOSA-N 1 0 351.491 2.402 20 30 FEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)NCC(=O)Nc1ccc(Br)c(C)c1 ZINC000876636160 686234103 /nfs/dbraw/zinc/23/41/03/686234103.db2.gz RFKTWKPADORYDI-GFCCVEGCSA-N 1 0 374.666 2.282 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NCc1ccc(C)cc1OC[C@H]1CCOC1 ZINC000876693494 686245379 /nfs/dbraw/zinc/24/53/79/686245379.db2.gz WISLUPKXNHTTKI-HOCLYGCPSA-N 1 0 352.862 2.496 20 30 FEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 ZINC000876728070 686254174 /nfs/dbraw/zinc/25/41/74/686254174.db2.gz XIZBQSGFOXICQL-UONOGXRCSA-N 1 0 350.850 2.037 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N1CCN([C@@H](C)c2cccc(OC)c2)CC1 ZINC000876755774 686261562 /nfs/dbraw/zinc/26/15/62/686261562.db2.gz WPCOFCSUYCNAAQ-YOEHRIQHSA-N 1 0 351.878 2.370 20 30 FEEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)c1cc(-c2ccc(Cl)cc2Cl)on1 ZINC000876801798 686271522 /nfs/dbraw/zinc/27/15/22/686271522.db2.gz IRTRDCCHNAXEDC-OQPBUACISA-N 1 0 351.193 2.490 20 30 FEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H]1CCCc2ccc(C(=O)OC)cc21 ZINC000876963714 686301825 /nfs/dbraw/zinc/30/18/25/686301825.db2.gz UGDZDZKQPNVDHZ-GDBMZVCRSA-N 1 0 350.846 2.479 20 30 FEEDRO C=CCOc1cc(OC)ccc1C(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000877356405 686361050 /nfs/dbraw/zinc/36/10/50/686361050.db2.gz GTUQPMZJSUTHKA-FZMZJTMJSA-N 1 0 358.360 2.469 20 30 FEEDRO CN(CCC#N)C(=O)CC[NH2+][C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1(C)C ZINC000878826531 686669387 /nfs/dbraw/zinc/66/93/87/686669387.db2.gz UZSRRKIDNLMOHT-UONOGXRCSA-N 1 0 352.479 2.030 20 30 FEEDRO CN1CC[NH+](C2CCN(Cc3cc(Cl)ccc3OCC#N)CC2)CC1 ZINC000879592364 686864695 /nfs/dbraw/zinc/86/46/95/686864695.db2.gz ICFSFGPCKLODNC-UHFFFAOYSA-N 1 0 362.905 2.454 20 30 FEEDRO COC(=O)[C@]12CCC[C@H]1[N@@H+]([C@H]1CCN(c3sccc3C#N)C1=O)CC2 ZINC000880183146 687012770 /nfs/dbraw/zinc/01/27/70/687012770.db2.gz MYVBSUIQICXJPB-IYOUNJFTSA-N 1 0 359.451 2.143 20 30 FEEDRO C=C(C)C[C@@H](NC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1)C(=O)OCC ZINC000881756579 687206018 /nfs/dbraw/zinc/20/60/18/687206018.db2.gz YAENCKAMXZCJNQ-HZPDHXFCSA-N 1 0 354.516 2.218 20 30 FEEDRO CC[NH+]1CCN([C@@H](C)CNc2ncc(C#N)cc2Br)CC1 ZINC000881808482 687222446 /nfs/dbraw/zinc/22/24/46/687222446.db2.gz UMBBRZCAJYUDLP-LBPRGKRZSA-N 1 0 352.280 2.154 20 30 FEEDRO C[NH+](C)C1(C)CCC(Nc2ccc(C#N)cc2CS(N)(=O)=O)CC1 ZINC000882693927 687444088 /nfs/dbraw/zinc/44/40/88/687444088.db2.gz YYHJYYXGZUJZKQ-UHFFFAOYSA-N 1 0 350.488 2.022 20 30 FEEDRO C#CC[C@H](CO)[NH2+]Cc1cc(Br)c(OCC=C)c(OC)c1 ZINC000883122997 687572040 /nfs/dbraw/zinc/57/20/40/687572040.db2.gz ICXGVWCLQAUWKK-CYBMUJFWSA-N 1 0 354.244 2.496 20 30 FEEDRO C=CCC[C@@H]([NH2+]CC1(N2CCOCC2)CC(OCC)C1)[C@@H]1CCCO1 ZINC000883218767 687589482 /nfs/dbraw/zinc/58/94/82/687589482.db2.gz HASCSURDBDWCIG-KAXARAQCSA-N 1 0 352.519 2.360 20 30 FEEDRO C=CCC[C@H]([NH2+]C[C@@H]1CS(=O)(=O)c2ccccc2O1)[C@@H]1CCCO1 ZINC000883231927 687591663 /nfs/dbraw/zinc/59/16/63/687591663.db2.gz WIQATVKNZUZPGC-PMPSAXMXSA-N 1 0 351.468 2.325 20 30 FEEDRO C[C@H](C#N)Oc1ccc(C[NH2+]CC2(S(=O)(=O)NC(C)(C)C)CC2)cc1 ZINC000883291717 687600866 /nfs/dbraw/zinc/60/08/66/687600866.db2.gz PORIDBQTUVIHHN-CQSZACIVSA-N 1 0 365.499 2.318 20 30 FEEDRO C=C(C)C[C@H](CO)[NH2+]Cc1ccc(OCCN2CCOCC2)c(Cl)c1 ZINC000883401015 687621978 /nfs/dbraw/zinc/62/19/78/687621978.db2.gz ZUAZXJHJLJOCHU-QGZVFWFLSA-N 1 0 368.905 2.468 20 30 FEEDRO C=CCN1C(=S)N=NC1c1sc(NC(=O)[C@H]([NH3+])CC2CC2)nc1C ZINC000884067185 687783038 /nfs/dbraw/zinc/78/30/38/687783038.db2.gz XLGBDQGSMRRBLM-SNVBAGLBSA-N 1 0 364.500 2.251 20 30 FEEDRO N#C[C@H]1C[NH2+]CC12CC(C(=O)N1CCc3c(Br)cccc3C1)C2 ZINC000884116924 687793118 /nfs/dbraw/zinc/79/31/18/687793118.db2.gz JTGINFPKZYSISS-FVRSWCFKSA-N 1 0 374.282 2.473 20 30 FEEDRO C#CCN(C(=O)CC1CCN(CC(F)(F)F)CC1)C1CC[NH+](C)CC1 ZINC000886573487 688278016 /nfs/dbraw/zinc/27/80/16/688278016.db2.gz KMPMKVODOIGQGS-UHFFFAOYSA-N 1 0 359.436 2.207 20 30 FEEDRO C#CCN(C(=O)c1cc(Br)c(=O)[nH]c1C)C1CC[NH+](C)CC1 ZINC000886575782 688278705 /nfs/dbraw/zinc/27/87/05/688278705.db2.gz KUAKHGOJMULLHS-UHFFFAOYSA-N 1 0 366.259 2.028 20 30 FEEDRO N#CCCc1ccc(S(=O)(=O)N(CC[NH3+])CCc2ccccc2)cc1 ZINC000886886805 688332945 /nfs/dbraw/zinc/33/29/45/688332945.db2.gz SSAUPAPSAJWELT-UHFFFAOYSA-N 1 0 357.479 2.335 20 30 FEEDRO C[NH+](C)CCn1nccc1C(=O)Nc1ccc(Br)c(C#N)c1 ZINC000887995038 688532875 /nfs/dbraw/zinc/53/28/75/688532875.db2.gz UWMWIVWPVGSOAE-UHFFFAOYSA-N 1 0 362.231 2.331 20 30 FEEDRO N#Cc1sc(NC(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)nc1Cl ZINC000888412810 688607699 /nfs/dbraw/zinc/60/76/99/688607699.db2.gz WCOULFVYQYECHK-JTQLQIEISA-N 1 0 369.878 2.291 20 30 FEEDRO N#Cc1sc(NC(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)nc1Cl ZINC000888425769 688610468 /nfs/dbraw/zinc/61/04/68/688610468.db2.gz AITUTGWUYQGWEH-JTQLQIEISA-N 1 0 355.851 2.043 20 30 FEEDRO C=CCS(=O)(=O)CC[NH2+][C@@H]1CC[C@H](C(=O)OCC)[C@H](C(F)(F)F)C1 ZINC000893505416 689358483 /nfs/dbraw/zinc/35/84/83/689358483.db2.gz MCIMAYDUQHNODR-FRRDWIJNSA-N 1 0 371.421 2.087 20 30 FEEDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCc1nc(C#N)cs1 ZINC000894231959 689491271 /nfs/dbraw/zinc/49/12/71/689491271.db2.gz AOXKLFWLWMGWJO-BBRMVZONSA-N 1 0 355.467 2.334 20 30 FEEDRO C=C(C)[C@H](NC(=O)NCC[NH+]1CCC(O)CC1)c1ccc(F)c(F)c1 ZINC000894265012 689496886 /nfs/dbraw/zinc/49/68/86/689496886.db2.gz QSEQJZDGCRJINX-KRWDZBQOSA-N 1 0 353.413 2.338 20 30 FEEDRO CC1([NH+]2CCCC2)CCC(Nc2cccc(S(N)(=O)=O)c2C#N)CC1 ZINC000895528465 689730375 /nfs/dbraw/zinc/73/03/75/689730375.db2.gz ZCLWYROBWLDEJT-UHFFFAOYSA-N 1 0 362.499 2.415 20 30 FEEDRO C#C[C@H](NC(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO)c1ccc(Cl)cc1 ZINC000895684894 689754463 /nfs/dbraw/zinc/75/44/63/689754463.db2.gz GTAAGTPSEGCHAX-KSZLIROESA-N 1 0 361.873 2.255 20 30 FEEDRO CC(C)(C)OC(=O)NCC[NH+]1CCC(NCc2nc(C#N)cs2)CC1 ZINC000897626902 690052376 /nfs/dbraw/zinc/05/23/76/690052376.db2.gz XANMWXMKXQAMNH-UHFFFAOYSA-N 1 0 365.503 2.093 20 30 FEEDRO C=CCOc1c(Br)cc(C[NH2+][C@@]2(C)CCNC2=O)cc1OC ZINC000897873373 690094683 /nfs/dbraw/zinc/09/46/83/690094683.db2.gz NJURTLDIZMQGFN-INIZCTEOSA-N 1 0 369.259 2.391 20 30 FEEDRO C=CCNc1ncc(C(=O)NCCCC[NH+]2C[C@@H](C)O[C@H](C)C2)s1 ZINC000900979935 690596065 /nfs/dbraw/zinc/59/60/65/690596065.db2.gz FWPXJRAIRPEHOM-ZIAGYGMSSA-N 1 0 352.504 2.360 20 30 FEEDRO C=CCC[C@@H]([NH2+]C1CCN(CCS(C)(=O)=O)CC1)[C@@]1(C)CCCCO1 ZINC000902795770 690808444 /nfs/dbraw/zinc/80/84/44/690808444.db2.gz GPOWTRVRGDOCJP-RTBURBONSA-N 1 0 372.575 2.379 20 30 FEEDRO C[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)c(C#N)c2)[C@H]1C[NH3+] ZINC000903485673 690898920 /nfs/dbraw/zinc/89/89/20/690898920.db2.gz CZQMUGCVPFMKEE-YGRLFVJLSA-N 1 0 372.288 2.069 20 30 FEEDRO Cc1cc(C#N)cc(C)c1CS(=O)(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000903518745 690908397 /nfs/dbraw/zinc/90/83/97/690908397.db2.gz QSSMUAHCIATTHR-IBGZPJMESA-N 1 0 361.511 2.469 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903519065 690908587 /nfs/dbraw/zinc/90/85/87/690908587.db2.gz VUTMGDSGVVHYKL-MRVWCRGKSA-N 1 0 361.433 2.473 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C2)cc1Cl ZINC000903578000 690927429 /nfs/dbraw/zinc/92/74/29/690927429.db2.gz AMQDPRRDSOTOHD-PWSUYJOCSA-N 1 0 367.780 2.112 20 30 FEEDRO Cc1cc(C#N)ccc1S(=O)(=O)N1C[C@@H](C[NH3+])Cc2cc(F)ccc21 ZINC000903588278 690932803 /nfs/dbraw/zinc/93/28/03/690932803.db2.gz HPNMIVMOHDJHOH-CQSZACIVSA-N 1 0 359.426 2.332 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2CC[C@H]3CC[C@]32C[NH3+])cc1C(F)(F)F ZINC000903589326 690933442 /nfs/dbraw/zinc/93/34/42/690933442.db2.gz OYBHRWFFHVLJQG-RISCZKNCSA-N 1 0 359.373 2.079 20 30 FEEDRO Cc1ncc(S(=O)(=O)Nc2cc[nH+]c(N3CCCCC3)c2)cc1C#N ZINC000903666543 690954156 /nfs/dbraw/zinc/95/41/56/690954156.db2.gz PKIKQIWNKQFEFT-UHFFFAOYSA-N 1 0 357.439 2.448 20 30 FEEDRO C=C(C)C[C@@H](CO)[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000905455232 691121055 /nfs/dbraw/zinc/12/10/55/691121055.db2.gz XVGJCVHNSFYKQV-KBPBESRZSA-N 1 0 362.239 2.245 20 30 FEEDRO N#Cc1ccc(OC[C@H](O)C[NH2+]C[C@H]2CCC[C@H](C(F)(F)F)O2)cc1 ZINC000905568601 691143233 /nfs/dbraw/zinc/14/32/33/691143233.db2.gz UVRFZWHZDYCYCC-FVQBIDKESA-N 1 0 358.360 2.388 20 30 FEEDRO CC(C)(C)OC(=O)C1CCC(O)(C[NH2+]Cc2nc(C#N)cs2)CC1 ZINC000905652764 691156915 /nfs/dbraw/zinc/15/69/15/691156915.db2.gz FCIQACSTANWONR-UHFFFAOYSA-N 1 0 351.472 2.367 20 30 FEEDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3ccsc3C#N)cn2)CC1 ZINC000906233129 691244800 /nfs/dbraw/zinc/24/48/00/691244800.db2.gz XPIJNMOUGQOTOX-UHFFFAOYSA-N 1 0 355.467 2.087 20 30 FEEDRO C[NH+](C)C1CCN(S(=O)(=O)c2ccc(Br)c(C#N)c2)CC1 ZINC000906835088 691324465 /nfs/dbraw/zinc/32/44/65/691324465.db2.gz VUIDPTDNORLXFU-UHFFFAOYSA-N 1 0 372.288 2.035 20 30 FEEDRO C[C@@H]([NH2+]C(C)(C)CNS(=O)(=O)c1ccc(C#N)cn1)c1ccccc1 ZINC000906911580 691342180 /nfs/dbraw/zinc/34/21/80/691342180.db2.gz JIPQJFUZLLKIAL-CQSZACIVSA-N 1 0 358.467 2.361 20 30 FEEDRO CN(C[C@H]1CCC[N@@H+]1C)S(=O)(=O)c1ccc(Br)c(C#N)c1 ZINC000907254521 691433524 /nfs/dbraw/zinc/43/35/24/691433524.db2.gz WCBXWAAZVXCJGV-GFCCVEGCSA-N 1 0 372.288 2.035 20 30 FEEDRO C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)c3c(C#N)sc4ccccc43)CC[C@H]21 ZINC000907319495 691451590 /nfs/dbraw/zinc/45/15/90/691451590.db2.gz ZPRHJAPKZJIUAQ-TZMCWYRMSA-N 1 0 361.492 2.488 20 30 FEEDRO C=CCn1c(-c2cnsn2)nnc1N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC000908720290 691718482 /nfs/dbraw/zinc/71/84/82/691718482.db2.gz OZGIIVDKCVSJLR-CYBMUJFWSA-N 1 0 359.503 2.293 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@H]2Cc3cc(Cl)ccc3O2)c1C#N ZINC000535503702 694906321 /nfs/dbraw/zinc/90/63/21/694906321.db2.gz KWUPBXFIAQXQTB-OAHLLOKOSA-N 1 0 359.817 2.029 20 30 FEEDRO C[N@@H+]1CCO[C@@H]2CN(c3cc(F)c(C#N)cc3-c3ccnc(Cl)n3)C[C@H]21 ZINC001164668052 719397095 /nfs/dbraw/zinc/39/70/95/719397095.db2.gz PTBRLYDUCJUUOZ-IAGOWNOFSA-N 1 0 373.819 2.327 20 30 FEEDRO Cc1cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc(C#N)n1 ZINC001164837371 720555889 /nfs/dbraw/zinc/55/58/89/720555889.db2.gz MCBWXZKHLRHNKY-FGTMMUONSA-N 1 0 365.485 2.231 20 30 FEEDRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4cc(Cl)cc(C#N)n4)C[C@@H]3C2)cn1 ZINC001164764862 721111568 /nfs/dbraw/zinc/11/15/68/721111568.db2.gz IGPDLYWSYDTBSU-CABCVRRESA-N 1 0 356.861 2.298 20 30 FEEDRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4cc(Cl)cc(C#N)n4)C[C@H]3C2)cn1 ZINC001164764867 721112168 /nfs/dbraw/zinc/11/21/68/721112168.db2.gz IGPDLYWSYDTBSU-HUUCEWRRSA-N 1 0 356.861 2.298 20 30 FEEDRO Cc1cnc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c(C#N)n1 ZINC001164903827 721549692 /nfs/dbraw/zinc/54/96/92/721549692.db2.gz DCBPLXZOWGHIQH-RDJZCZTQSA-N 1 0 353.401 2.138 20 30 FEEDRO Cc1nc(C#N)cc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164908697 721566538 /nfs/dbraw/zinc/56/65/38/721566538.db2.gz RSGYJWDXFRNHDH-SJLPKXTDSA-N 1 0 353.401 2.138 20 30 FEEDRO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2c1nc(-c2ccncc2)ccc1C#N ZINC001164929178 721876923 /nfs/dbraw/zinc/87/69/23/721876923.db2.gz AHWQXKWMMDPICI-PMACEKPBSA-N 1 0 362.481 2.230 20 30 FEEDRO Cc1ccc(C#N)c(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164982314 722106074 /nfs/dbraw/zinc/10/60/74/722106074.db2.gz NKMIKTUPVATYIY-WOJBJXKFSA-N 1 0 363.465 2.384 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(=O)[nH]c3ccc(F)cc32)c1C#N ZINC000535511092 867725178 /nfs/dbraw/zinc/72/51/78/867725178.db2.gz NXHQDOMEQNSPTD-UHFFFAOYSA-N 1 0 368.372 2.079 20 30 FEEDRO C=CCNC(=O)c1ccc(NCC[NH+]2CCN(c3ccccc3)CC2)nc1 ZINC000522138400 539545034 /nfs/dbraw/zinc/54/50/34/539545034.db2.gz CHXJGCPFGGREBA-UHFFFAOYSA-N 1 0 365.481 2.232 20 30 FEEDRO C[C@H]([NH2+][C@@H](C)c1ccc2c(c1)NC(=O)CO2)C(=O)NC1(C#N)CCCCC1 ZINC000027034718 539799628 /nfs/dbraw/zinc/79/96/28/539799628.db2.gz HDEDHIHAUFPYLQ-KBPBESRZSA-N 1 0 370.453 2.399 20 30 FEEDRO CC(C)N(C)C(=O)C1CC[NH+](CCC(=O)Nc2cccc(C#N)c2)CC1 ZINC000030273600 539876523 /nfs/dbraw/zinc/87/65/23/539876523.db2.gz QBCSXKFZGZYIQK-UHFFFAOYSA-N 1 0 356.470 2.466 20 30 FEEDRO CC1CC[NH+](CCCCNC(=O)C(=O)Nc2cccc(OCC#N)c2)CC1 ZINC000041784091 540033097 /nfs/dbraw/zinc/03/30/97/540033097.db2.gz WSSJLKYRCYMBLM-UHFFFAOYSA-N 1 0 372.469 2.156 20 30 FEEDRO C=CC[N@H+](CCC(=O)N1CCN(c2ncccn2)CC1)Cc1ccccc1 ZINC000045796856 540228033 /nfs/dbraw/zinc/22/80/33/540228033.db2.gz RUDXRKNCNCOMGL-UHFFFAOYSA-N 1 0 365.481 2.204 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H]1CS[C@@]2(C)CCC(=O)N12)C(C)C ZINC000046049444 540239007 /nfs/dbraw/zinc/23/90/07/540239007.db2.gz ITCWIKUZNUOXFE-GJYPPUQNSA-N 1 0 365.543 2.255 20 30 FEEDRO CN(C)S(=O)(=O)c1ccc(OCC[N@H+](C)Cc2ccc(C#N)cc2)cc1 ZINC000046528789 540261474 /nfs/dbraw/zinc/26/14/74/540261474.db2.gz HNILNEFLAFLFJP-UHFFFAOYSA-N 1 0 373.478 2.319 20 30 FEEDRO COc1ccc(S(=O)(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1 ZINC000047281132 540301831 /nfs/dbraw/zinc/30/18/31/540301831.db2.gz ABVAUCMHORUWTR-UHFFFAOYSA-N 1 0 373.478 2.319 20 30 FEEDRO N#Cc1cccc(CNC(=O)NCC2([NH+]3CCOCC3)CCCCC2)c1 ZINC000047793177 540329290 /nfs/dbraw/zinc/32/92/90/540329290.db2.gz ZGMPUIHBYLRNHT-UHFFFAOYSA-N 1 0 356.470 2.393 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)CC1 ZINC000050025164 540397610 /nfs/dbraw/zinc/39/76/10/540397610.db2.gz FNTRTDLZYPDLQE-UHFFFAOYSA-N 1 0 359.901 2.329 20 30 FEEDRO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000051056721 540420754 /nfs/dbraw/zinc/42/07/54/540420754.db2.gz DZYOSGQJHYBNFJ-LJCCNALRSA-N 1 0 364.534 2.446 20 30 FEEDRO C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)CCOc1cccc(C#N)c1 ZINC000051563338 540437697 /nfs/dbraw/zinc/43/76/97/540437697.db2.gz HJTIVQOCXNUDKC-AWEZNQCLSA-N 1 0 359.451 2.277 20 30 FEEDRO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+](C3CC3)C3CCCCC3)CC2)o1 ZINC000052664813 540480185 /nfs/dbraw/zinc/48/01/85/540480185.db2.gz LDTGWAIUACNOKF-UHFFFAOYSA-N 1 0 371.485 2.300 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)NCCNc2ncc(Cl)cc2Cl)CC1 ZINC000057171758 540776123 /nfs/dbraw/zinc/77/61/23/540776123.db2.gz DUAPCHPLVZNWDI-UHFFFAOYSA-N 1 0 355.269 2.262 20 30 FEEDRO CC[NH+](CC)CC1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2C)CC1 ZINC000057672959 540806884 /nfs/dbraw/zinc/80/68/84/540806884.db2.gz JEHQNUWLDSBQAN-UHFFFAOYSA-N 1 0 356.470 2.386 20 30 FEEDRO N#Cc1ccc(C[N@@H+]2CCCN(c3cncc(-n4cccn4)n3)CC2)cc1 ZINC000108101726 209282548 /nfs/dbraw/zinc/28/25/48/209282548.db2.gz UHGFTNWNQQMKQM-UHFFFAOYSA-N 1 0 359.437 2.246 20 30 FEEDRO CCN(CC(=O)N1CCC[N@H+](Cc2ccc(OC)cc2)CC1)C[C@@H](C)C#N ZINC000064248671 541197271 /nfs/dbraw/zinc/19/72/71/541197271.db2.gz BIABGSDCTZUXIK-SFHVURJKSA-N 1 0 372.513 2.211 20 30 FEEDRO COc1cc(C#N)ccc1OCCCC(=O)N(CCC#N)CCC[NH+](C)C ZINC000064361236 541203123 /nfs/dbraw/zinc/20/31/23/541203123.db2.gz VOYKGIUKKWJFLW-UHFFFAOYSA-N 1 0 372.469 2.420 20 30 FEEDRO COC(=O)c1ccc(C[N@@H+]2CCCN(c3ncccc3C#N)CC2)cc1 ZINC000066437492 541318251 /nfs/dbraw/zinc/31/82/51/541318251.db2.gz INBMEWPICSQSSC-UHFFFAOYSA-N 1 0 350.422 2.452 20 30 FEEDRO C[N@H+](CCNC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1)Cc1ccccc1 ZINC000067380053 541452989 /nfs/dbraw/zinc/45/29/89/541452989.db2.gz DYNWTUMNAKSWTE-UHFFFAOYSA-N 1 0 370.840 2.398 20 30 FEEDRO C=C(C)COc1cccc(NC(=O)C(=O)N2CCC[N@@H+](C3CC3)CC2)c1 ZINC000067561731 541481001 /nfs/dbraw/zinc/48/10/01/541481001.db2.gz UYVQENQBMVXNBR-UHFFFAOYSA-N 1 0 357.454 2.277 20 30 FEEDRO CC[N@H+](CCNC(=O)Nc1ccn(-c2cccc(F)c2C#N)n1)C1CC1 ZINC000542838995 541484210 /nfs/dbraw/zinc/48/42/10/541484210.db2.gz VPJBDEADPAXYJX-UHFFFAOYSA-N 1 0 356.405 2.489 20 30 FEEDRO CN(CC[NH+]1CCCC1)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 ZINC000542960113 541509096 /nfs/dbraw/zinc/50/90/96/541509096.db2.gz NEHJLEYHRUAKSY-UHFFFAOYSA-N 1 0 356.405 2.443 20 30 FEEDRO CC(C)[N@H+](C)CCNC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000069111093 541658396 /nfs/dbraw/zinc/65/83/96/541658396.db2.gz PJOKGEPVGIRAEY-INIZCTEOSA-N 1 0 361.465 2.306 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)COc1cccc2c1OC(C)(C)C2 ZINC000069576779 541698153 /nfs/dbraw/zinc/69/81/53/541698153.db2.gz PIRAFOFTNXPJEB-UHFFFAOYSA-N 1 0 359.470 2.473 20 30 FEEDRO C=CCOc1ccc(C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)cc1OC ZINC000069746628 541710641 /nfs/dbraw/zinc/71/06/41/541710641.db2.gz KIKAVBVMQDBDGU-QGZVFWFLSA-N 1 0 374.481 2.444 20 30 FEEDRO C[C@H](NC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1)c1ccc(C#N)cc1 ZINC000069930976 541724866 /nfs/dbraw/zinc/72/48/66/541724866.db2.gz USFDTTYWDTXPFV-WMZOPIPTSA-N 1 0 356.470 2.373 20 30 FEEDRO C=C(C)CN1CCC([NH2+][C@H]2CCCc3cc(S(N)(=O)=O)ccc32)CC1 ZINC000551029470 674121013 /nfs/dbraw/zinc/12/10/13/674121013.db2.gz FSNFYWQOULKNKG-IBGZPJMESA-N 1 0 363.527 2.342 20 30 FEEDRO N#Cc1ccc(CN2CCN(C(=O)NCCC[NH+]3CCCCC3)CC2)cc1 ZINC000073046456 541912478 /nfs/dbraw/zinc/91/24/78/541912478.db2.gz WBVPFIOPORQUTF-UHFFFAOYSA-N 1 0 369.513 2.261 20 30 FEEDRO COC(=O)[C@@H]1CCC[C@H](C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)C1 ZINC000073108041 541918991 /nfs/dbraw/zinc/91/89/91/541918991.db2.gz YBQSNTCOYQAGJM-RBUKOAKNSA-N 1 0 371.481 2.428 20 30 FEEDRO C#CCC[NH+]1CCN(Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000801525277 674133525 /nfs/dbraw/zinc/13/35/25/674133525.db2.gz HHKGOMCKECCYMD-UHFFFAOYSA-N 1 0 352.232 2.498 20 30 FEEDRO CC[C@@H](CO)[NH+]1CCN([C@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)CC1 ZINC000075962774 542219220 /nfs/dbraw/zinc/21/92/20/542219220.db2.gz UUBNKEFPJRKNQO-MOPGFXCFSA-N 1 0 372.513 2.019 20 30 FEEDRO CC[C@@H](C)[NH2+][C@@H](CNC(=O)C(=O)Nc1sccc1C#N)c1ccco1 ZINC000551258069 674134419 /nfs/dbraw/zinc/13/44/19/674134419.db2.gz BSMWNEDZECRPDQ-YPMHNXCESA-N 1 0 360.439 2.397 20 30 FEEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000076333666 542262296 /nfs/dbraw/zinc/26/22/96/542262296.db2.gz NSRRVZOUTOOPKJ-KBPBESRZSA-N 1 0 372.494 2.230 20 30 FEEDRO C[C@H]1CCCCN1S(=O)(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000076408274 542275274 /nfs/dbraw/zinc/27/52/74/542275274.db2.gz LVOVGYWVGLHUFR-INIZCTEOSA-N 1 0 364.515 2.041 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(OC)c(Cl)c2)CC1 ZINC000076512824 542287986 /nfs/dbraw/zinc/28/79/86/542287986.db2.gz NTMKYNDYJAOODS-UHFFFAOYSA-N 1 0 351.834 2.054 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000076526473 542289151 /nfs/dbraw/zinc/28/91/51/542289151.db2.gz MMRUYQOLJIDFAV-UHFFFAOYSA-N 1 0 355.360 2.411 20 30 FEEDRO CCC[NH+](CCC)CCCNC(=O)C(=O)Nc1cc(C#N)ccc1OC ZINC000076603117 542300170 /nfs/dbraw/zinc/30/01/70/542300170.db2.gz JNWGVZHBMCBDNA-UHFFFAOYSA-N 1 0 360.458 2.134 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N[C@@H](CC(=O)OC)c2ccc(SC)cc2)CC1 ZINC000076831580 542324289 /nfs/dbraw/zinc/32/42/89/542324289.db2.gz FXSAATUQLUBNMB-SFHVURJKSA-N 1 0 374.506 2.474 20 30 FEEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000077468628 542385266 /nfs/dbraw/zinc/38/52/66/542385266.db2.gz QKVHZNDMVKZGCJ-HUUCEWRRSA-N 1 0 361.515 2.448 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)c2cncc(Br)c2C)CC1 ZINC000828471206 675822460 /nfs/dbraw/zinc/82/24/60/675822460.db2.gz AKZDTFZQWIPUBR-UHFFFAOYSA-N 1 0 350.260 2.370 20 30 FEEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1S[C@H](C)C(=O)NCCC ZINC000078557817 542467111 /nfs/dbraw/zinc/46/71/11/542467111.db2.gz QLCFHAHFYVSPBS-OAHLLOKOSA-N 1 0 365.547 2.499 20 30 FEEDRO [NH2+]=C(NC[C@H]1CCN(CC(F)(F)F)C1)N[C@H]1CCOc2ccccc21 ZINC000083032153 542690298 /nfs/dbraw/zinc/69/02/98/542690298.db2.gz AEAUWNCWIPPCAM-OCCSQVGLSA-N 1 0 356.392 2.299 20 30 FEEDRO [NH2+]=C(NCCCNC(=O)c1cccs1)N[C@H]1CCOc2ccccc21 ZINC000083035159 542691351 /nfs/dbraw/zinc/69/13/51/542691351.db2.gz OXNDZCPHVNKTRK-AWEZNQCLSA-N 1 0 358.467 2.296 20 30 FEEDRO CC(C)[C@@H]([NH2+]Cc1cccc(OCCCC#N)c1)C(=O)N1CCOCC1 ZINC000084053690 542707206 /nfs/dbraw/zinc/70/72/06/542707206.db2.gz NGDICQDOTOKTJF-LJQANCHMSA-N 1 0 359.470 2.342 20 30 FEEDRO CN(CC[NH+](C)C)C(=O)c1cn(CCC#N)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000085364563 542725099 /nfs/dbraw/zinc/72/50/99/542725099.db2.gz RYUJBBJZZRCOFH-UHFFFAOYSA-N 1 0 370.413 2.006 20 30 FEEDRO COc1ccc(NC(=[NH2+])NCc2cn(-c3ccc(OC)cc3)nn2)cc1 ZINC000087001592 542740401 /nfs/dbraw/zinc/74/04/01/542740401.db2.gz XDKPGXSNVDWIQC-UHFFFAOYSA-N 1 0 352.398 2.211 20 30 FEEDRO CCS(=O)(=O)c1ccc(NC(=O)N(CCC#N)CCC[NH+](C)C)cc1 ZINC000086281721 542734834 /nfs/dbraw/zinc/73/48/34/542734834.db2.gz LZYCDBWCMCZSPV-UHFFFAOYSA-N 1 0 366.487 2.179 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)NC2(c3ccc(F)cc3F)CCOCC2)CC1 ZINC000089855807 542771540 /nfs/dbraw/zinc/77/15/40/542771540.db2.gz MLVAQDFDXCSYIU-UHFFFAOYSA-N 1 0 362.420 2.432 20 30 FEEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)N(C)CC[NH+]1CCCC1 ZINC000089899248 542772104 /nfs/dbraw/zinc/77/21/04/542772104.db2.gz UDOTXRSSBHUVJX-KRWDZBQOSA-N 1 0 358.486 2.358 20 30 FEEDRO Cc1cc(-c2noc(C[N@H+](C)CCCc3[nH]nc(N)c3C#N)n2)ccc1F ZINC000089943592 542776223 /nfs/dbraw/zinc/77/62/23/542776223.db2.gz QUYPOZRMOCWFLL-UHFFFAOYSA-N 1 0 369.404 2.426 20 30 FEEDRO C[C@@H]([NH2+]Cc1cn(CCC#N)nc1-c1ccccc1)[C@H]1CN(C)CCO1 ZINC000091063562 542793278 /nfs/dbraw/zinc/79/32/78/542793278.db2.gz LNGFIWIXQAQRCE-VQIMIIECSA-N 1 0 353.470 2.272 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1cccc(-n2cnnn2)c1)C(C)C ZINC000101684422 543041398 /nfs/dbraw/zinc/04/13/98/543041398.db2.gz RZQMDAXXRILORS-GOSISDBHSA-N 1 0 354.458 2.091 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Cn1ncc(=O)c2ccccc21)C(C)C ZINC000101684445 543041433 /nfs/dbraw/zinc/04/14/33/543041433.db2.gz UWKZRMJHXUXODO-IBGZPJMESA-N 1 0 368.481 2.211 20 30 FEEDRO C[NH+](C)Cc1cccc(CNC(=O)C(=O)Nc2ccc(F)c(C#N)c2)c1 ZINC000102963006 543086709 /nfs/dbraw/zinc/08/67/09/543086709.db2.gz VTZBIHGJDBPCAO-UHFFFAOYSA-N 1 0 354.385 2.014 20 30 FEEDRO C[N@H+](CCC(=O)Nc1ccccc1C#N)C[C@@H]1CCCN1c1cccnn1 ZINC000106087084 543192997 /nfs/dbraw/zinc/19/29/97/543192997.db2.gz ADWYXZMTABYDML-KRWDZBQOSA-N 1 0 364.453 2.278 20 30 FEEDRO C[C@@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC(Cc2nccn2C)CC1 ZINC000106164788 543211243 /nfs/dbraw/zinc/21/12/43/543211243.db2.gz VEQJTSYTSSJQHR-INIZCTEOSA-N 1 0 357.502 2.406 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@H](c2ccccc2)N2CCN(C)CC2)CC1 ZINC000106290647 543221779 /nfs/dbraw/zinc/22/17/79/543221779.db2.gz XWGSFFUCLVSZHT-NRFANRHFSA-N 1 0 370.541 2.132 20 30 FEEDRO C=CCN1C(=O)c2ccc(C(=O)N[C@H]3CC[N@@H+](C4CCCC4)C3)cc2C1=O ZINC000106789970 543247436 /nfs/dbraw/zinc/24/74/36/543247436.db2.gz MBTSAXKPKXJKOO-HNNXBMFYSA-N 1 0 367.449 2.215 20 30 FEEDRO C[C@@H]1C[NH+](Cc2ccc(CNC(=O)C3(C#N)CCOCC3)cc2)C[C@@H](C)O1 ZINC000109139698 543315487 /nfs/dbraw/zinc/31/54/87/543315487.db2.gz DJVVZGDVLOAFNN-IAGOWNOFSA-N 1 0 371.481 2.232 20 30 FEEDRO N#CCOc1ccc(CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)cc1 ZINC000110171528 543350578 /nfs/dbraw/zinc/35/05/78/543350578.db2.gz DXLIQLOMMCCORY-UHFFFAOYSA-N 1 0 371.481 2.283 20 30 FEEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(CN2CCc3ccccc32)CC1 ZINC000111307591 543395351 /nfs/dbraw/zinc/39/53/51/543395351.db2.gz MRGHPIXVMXXMON-INIZCTEOSA-N 1 0 370.497 2.161 20 30 FEEDRO CNC(=O)[C@@H]1CCC[N@H+](CC(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000111268365 543390793 /nfs/dbraw/zinc/39/07/93/543390793.db2.gz JROBUCWOZALUCM-QGZVFWFLSA-N 1 0 356.470 2.008 20 30 FEEDRO C#CCOc1ccc(C[NH2+][C@H](C)c2cccc(S(=O)(=O)NC)c2)cc1 ZINC000113334533 543484288 /nfs/dbraw/zinc/48/42/88/543484288.db2.gz AMAFWRJIQGNAAG-OAHLLOKOSA-N 1 0 358.463 2.458 20 30 FEEDRO C[NH+]1CCC(CCNC(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)CC1 ZINC000114595420 543525379 /nfs/dbraw/zinc/52/53/79/543525379.db2.gz DHKZCIHOQMURCW-FQEVSTJZSA-N 1 0 369.513 2.138 20 30 FEEDRO N#Cc1ccc([C@@H]([NH2+][C@@H]2CCN(c3ccc(F)cc3F)C2)C(N)=O)cc1 ZINC000115599726 543577476 /nfs/dbraw/zinc/57/74/76/543577476.db2.gz IOZJVFRDYUVCAQ-CRAIPNDOSA-N 1 0 356.376 2.231 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2cccc(-c3nc[nH]n3)c2)CC1 ZINC000115678816 543581146 /nfs/dbraw/zinc/58/11/46/543581146.db2.gz DNUCUJDUKKUBNV-UHFFFAOYSA-N 1 0 354.458 2.311 20 30 FEEDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1cccc(OCCCC#N)c1 ZINC000118126568 543648022 /nfs/dbraw/zinc/64/80/22/543648022.db2.gz GFCOQHUYXLEWMP-KRWDZBQOSA-N 1 0 372.469 2.298 20 30 FEEDRO C=CCCCN(C)CC(=O)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000121098585 543689535 /nfs/dbraw/zinc/68/95/35/543689535.db2.gz FVIAWMSDSDXWBJ-OAHLLOKOSA-N 1 0 370.540 2.162 20 30 FEEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000118897876 543662026 /nfs/dbraw/zinc/66/20/26/543662026.db2.gz SXPBGNGUNAHRCR-GJZGRUSLSA-N 1 0 374.510 2.335 20 30 FEEDRO C=CCCS(=O)(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCOCC1 ZINC000120602336 543682427 /nfs/dbraw/zinc/68/24/27/543682427.db2.gz JGGHDBNTARQLFL-INIZCTEOSA-N 1 0 352.500 2.382 20 30 FEEDRO Cc1ccc(NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C)c2cccnc12 ZINC000122091416 543703298 /nfs/dbraw/zinc/70/32/98/543703298.db2.gz LGNJNKOHNAMMGF-UHFFFAOYSA-N 1 0 367.453 2.176 20 30 FEEDRO CC(C)(C#N)c1ccc(NC(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000123231059 543750056 /nfs/dbraw/zinc/75/00/56/543750056.db2.gz KTYKBYMBWQTLSZ-INIZCTEOSA-N 1 0 368.481 2.371 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)NCCNc2ccc3ccccc3n2)cc1 ZINC000123532415 543768023 /nfs/dbraw/zinc/76/80/23/543768023.db2.gz OIBFWZKQIBJYMP-UHFFFAOYSA-N 1 0 352.419 2.497 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@H]1CCCCC[C@@H]1C(N)=O)C(C)C ZINC000124548373 543829050 /nfs/dbraw/zinc/82/90/50/543829050.db2.gz DWSWJHWRBLCQLG-OKZBNKHCSA-N 1 0 364.534 2.418 20 30 FEEDRO CN(C(=O)C[N@@H+]1CC[C@@H]2[C@H](CCC(=O)N2C2CC2)C1)C1(C#N)CCCCC1 ZINC000125396286 543879441 /nfs/dbraw/zinc/87/94/41/543879441.db2.gz BFSUZXKSZBMKDY-SJLPKXTDSA-N 1 0 372.513 2.147 20 30 FEEDRO CCN(C1CC[NH+](CCCOc2cccc(C#N)c2)CC1)S(C)(=O)=O ZINC000127039718 543969543 /nfs/dbraw/zinc/96/95/43/543969543.db2.gz PPYHZLQZBMFEPF-UHFFFAOYSA-N 1 0 365.499 2.073 20 30 FEEDRO N#Cc1ccc(C(F)(F)F)c(N2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)c1 ZINC000127995928 544026606 /nfs/dbraw/zinc/02/66/06/544026606.db2.gz ANWJGJRPNNLRRT-OAHLLOKOSA-N 1 0 366.387 2.496 20 30 FEEDRO COc1ccc(C[NH+]2CCC(N3CCNC3=O)CC2)cc1OCCCC#N ZINC000127576660 544001474 /nfs/dbraw/zinc/00/14/74/544001474.db2.gz FMDHVCZGJJQXNX-UHFFFAOYSA-N 1 0 372.469 2.367 20 30 FEEDRO C[NH+]=C(NCc1oc2ccc(F)cc2c1C)N[C@@H]1CCc2ncnn2C1 ZINC000128527396 544057608 /nfs/dbraw/zinc/05/76/08/544057608.db2.gz KRRQPGJTTLUMRY-CYBMUJFWSA-N 1 0 356.405 2.152 20 30 FEEDRO C[NH+]1CCC(CCNC(=O)C(=O)Nc2cccc(OCCCC#N)c2)CC1 ZINC000128949729 544082703 /nfs/dbraw/zinc/08/27/03/544082703.db2.gz APIFMKCOOYNMJH-UHFFFAOYSA-N 1 0 372.469 2.156 20 30 FEEDRO N#Cc1cccnc1N1CCC[N@H+](Cc2ccc(-n3cncn3)cc2)CC1 ZINC000129692783 544123723 /nfs/dbraw/zinc/12/37/23/544123723.db2.gz IYRGOXAIPMJKPT-UHFFFAOYSA-N 1 0 359.437 2.246 20 30 FEEDRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(C)(C)Oc2ccc(C#N)cc2)CC1 ZINC000130493172 544153466 /nfs/dbraw/zinc/15/34/66/544153466.db2.gz VBSIJTPMZISEKJ-QGZVFWFLSA-N 1 0 372.513 2.105 20 30 FEEDRO Cc1cccc(N(CCC#N)C(=O)C[NH2+][C@@H]2CCCC[C@@H]2C(N)=O)c1C ZINC000130699560 544161667 /nfs/dbraw/zinc/16/16/67/544161667.db2.gz UOPHOEYOGVJCGJ-DLBZAZTESA-N 1 0 356.470 2.184 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N2CCC(c3nc(C(F)(F)F)c[nH]3)CC2)CC1 ZINC000133847088 544285783 /nfs/dbraw/zinc/28/57/83/544285783.db2.gz DDHPIOBBIYWHKY-UHFFFAOYSA-N 1 0 368.403 2.480 20 30 FEEDRO Cc1ccc(N2CC[C@@H](C(=O)N(CCC#N)CCC[NH+](C)C)C2=O)cc1 ZINC000137045891 544383305 /nfs/dbraw/zinc/38/33/05/544383305.db2.gz AKZYCIIQRJMWLP-SFHVURJKSA-N 1 0 356.470 2.042 20 30 FEEDRO COc1ccc(CC[NH2+]C[C@@H](O)COc2ccc(C#N)cc2)cc1OC ZINC000143538251 544422149 /nfs/dbraw/zinc/42/21/49/544422149.db2.gz VAQUOBCVKMXSRH-QGZVFWFLSA-N 1 0 356.422 2.147 20 30 FEEDRO N#Cc1ccccc1NC(=O)CCCC(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000151463161 544545090 /nfs/dbraw/zinc/54/50/90/544545090.db2.gz CRRZEWUZIMPMOW-QGZVFWFLSA-N 1 0 354.454 2.364 20 30 FEEDRO CN(C(=O)c1ccc(NC(=O)CSCC#N)cc1)[C@@H]1CCC[N@H+](C)C1 ZINC000151801436 544582440 /nfs/dbraw/zinc/58/24/40/544582440.db2.gz FEIZBMOYQYTOCZ-MRXNPFEDSA-N 1 0 360.483 2.048 20 30 FEEDRO CC[N@H+](CC(=O)N1CCN(c2c(C#N)cnc3ccccc32)CC1)C1CC1 ZINC000151899707 544593581 /nfs/dbraw/zinc/59/35/81/544593581.db2.gz VYMWXURMSSBLCQ-UHFFFAOYSA-N 1 0 363.465 2.239 20 30 FEEDRO CC(C)(C)[C@H](CCO)[NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000181465552 327731961 /nfs/dbraw/zinc/73/19/61/327731961.db2.gz LRILFBOKDNZLAQ-INIZCTEOSA-N 1 0 355.442 2.069 20 30 FEEDRO COc1cc(C#N)ccc1S(=O)(=O)NCCC[NH+](C(C)C)C(C)C ZINC000185813164 327934201 /nfs/dbraw/zinc/93/42/01/327934201.db2.gz BXDXFFIEDLJNHD-UHFFFAOYSA-N 1 0 353.488 2.354 20 30 FEEDRO CCN(CC[NH+]1CCCCCC1)S(=O)(=O)c1ccc(C#N)cc1OC ZINC000553886020 674291992 /nfs/dbraw/zinc/29/19/92/674291992.db2.gz HIXWCDKXJQKRHC-UHFFFAOYSA-N 1 0 365.499 2.453 20 30 FEEDRO CCOC(=O)C[C@@](C)([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)C(C)C ZINC000186689479 327976302 /nfs/dbraw/zinc/97/63/02/327976302.db2.gz ICCVYEDNCCPJSS-GOSISDBHSA-N 1 0 366.483 2.289 20 30 FEEDRO C[C@H](NC(=O)CC(C)(C)C)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000188402664 328084744 /nfs/dbraw/zinc/08/47/44/328084744.db2.gz XCZIBQDPAQIJKX-INIZCTEOSA-N 1 0 372.513 2.389 20 30 FEEDRO C[C@@H](O)C[N@@H+]1CCN(C(=O)CCCCOc2cccc(C#N)c2)[C@@H](C)C1 ZINC000188691199 328104570 /nfs/dbraw/zinc/10/45/70/328104570.db2.gz ZOXGQSAYQDGSLO-DLBZAZTESA-N 1 0 359.470 2.021 20 30 FEEDRO N#Cc1ccccc1Cn1cccc1C[NH+]1CCC(N2CCNC2=O)CC1 ZINC000189505130 328151960 /nfs/dbraw/zinc/15/19/60/328151960.db2.gz BNXFECKLOKEAGQ-UHFFFAOYSA-N 1 0 363.465 2.398 20 30 FEEDRO CCO[C@H]1C[C@@](CO)([NH2+]CC(=O)Nc2ccc(C#N)c(Cl)c2)C1(C)C ZINC000189957972 328178810 /nfs/dbraw/zinc/17/88/10/328178810.db2.gz RNRFMXDAEQVPAQ-YJBOKZPZSA-N 1 0 365.861 2.306 20 30 FEEDRO CCOCCC[N@@H+]1CC[C@@H](NCC(=O)Nc2ccc(C#N)cc2)[C@H](C)C1 ZINC000190003718 328181758 /nfs/dbraw/zinc/18/17/58/328181758.db2.gz LYELFEBJBUJBBO-VQIMIIECSA-N 1 0 358.486 2.223 20 30 FEEDRO N#Cc1cc(F)ccc1S(=O)(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000192984689 328350757 /nfs/dbraw/zinc/35/07/57/328350757.db2.gz SSEDQLKIFDOQER-INIZCTEOSA-N 1 0 373.453 2.498 20 30 FEEDRO Cc1cccc(NC(=O)C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1 ZINC000193572658 328382469 /nfs/dbraw/zinc/38/24/69/328382469.db2.gz CKSDILCSRVGCSO-UHFFFAOYSA-N 1 0 364.449 2.396 20 30 FEEDRO N#Cc1cc(NC(=O)CC[NH+]2CCN(c3ccccn3)CC2)ccc1F ZINC000081344064 325171402 /nfs/dbraw/zinc/17/14/02/325171402.db2.gz XIHMOXOUWGYCPC-UHFFFAOYSA-N 1 0 353.401 2.243 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2cnn(-c3ccccc3C)c2)c1C#N ZINC000089676296 325326557 /nfs/dbraw/zinc/32/65/57/325326557.db2.gz DTIJPODREFRLIA-UHFFFAOYSA-N 1 0 363.425 2.180 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)CCCc2nc(C(C)(C)C)no2)c1C#N ZINC000089675447 325326726 /nfs/dbraw/zinc/32/67/26/325326726.db2.gz PJORDJUUPJNHNW-UHFFFAOYSA-N 1 0 373.461 2.075 20 30 FEEDRO Cc1oc(NC(=O)[C@H](C)N2CCC[C@H](C[NH+]3CCOCC3)C2)c(C#N)c1C ZINC000112202087 325760661 /nfs/dbraw/zinc/76/06/61/325760661.db2.gz KHLXNNBKNYKKAB-DOTOQJQBSA-N 1 0 374.485 2.139 20 30 FEEDRO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3CCCC[C@H]3C(C)C)CC2)o1 ZINC000117347491 326058393 /nfs/dbraw/zinc/05/83/93/326058393.db2.gz NTALZUZSHIPOEJ-KRWDZBQOSA-N 1 0 359.474 2.014 20 30 FEEDRO C[C@H](Oc1cccnc1)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000117758747 326069790 /nfs/dbraw/zinc/06/97/90/326069790.db2.gz VLYDCUINOXGZRS-INIZCTEOSA-N 1 0 352.438 2.311 20 30 FEEDRO CC[C@H]1CN(Cc2ncc(-c3ccc(C#N)cc3)o2)CC[N@@H+]1C[C@@H](C)O ZINC000119152200 326132053 /nfs/dbraw/zinc/13/20/53/326132053.db2.gz GVIWOIJZGJBFHR-QAPCUYQASA-N 1 0 354.454 2.490 20 30 FEEDRO N#Cc1cnc2ccccc2c1N1CC[NH+](CC[C@H]2CCOC2=O)CC1 ZINC000120334831 326250490 /nfs/dbraw/zinc/25/04/90/326250490.db2.gz ITXRLTJGDAEQQD-HNNXBMFYSA-N 1 0 350.422 2.182 20 30 FEEDRO N#Cc1cc(NC(=O)C(=O)N2CCC([NH+]3CCCC3)CC2)ccc1Cl ZINC000120582495 326270480 /nfs/dbraw/zinc/27/04/80/326270480.db2.gz PGYUWGFOXHBPKC-UHFFFAOYSA-N 1 0 360.845 2.237 20 30 FEEDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNS(=O)(=O)Cc2cc(C#N)ccc2F)C1 ZINC000120748757 326284581 /nfs/dbraw/zinc/28/45/81/326284581.db2.gz FUCOWQPIIGKWPQ-HUUCEWRRSA-N 1 0 367.490 2.485 20 30 FEEDRO N#Cc1ccc(NC(=O)CC[N@@H+]2CCCN(C(=O)C3CC3)CC2)cc1Cl ZINC000121237559 326324194 /nfs/dbraw/zinc/32/41/94/326324194.db2.gz GEDXEXRRZPZCAO-UHFFFAOYSA-N 1 0 374.872 2.485 20 30 FEEDRO CC(C)N(CC[NH+](C)C)S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000123470563 326432502 /nfs/dbraw/zinc/43/25/02/326432502.db2.gz CZYKUQFKZWSKQO-UHFFFAOYSA-N 1 0 374.304 2.281 20 30 FEEDRO C[C@@H]1CC(C)(C)C[C@](CO)([NH2+]CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000156909969 326848124 /nfs/dbraw/zinc/84/81/24/326848124.db2.gz BRAGIEYZUVNYKX-DNVCBOLYSA-N 1 0 364.511 2.499 20 30 FEEDRO N#Cc1ccc(C(=O)NCCCC[NH+]2CCN(c3ccccc3)CC2)[nH]1 ZINC000159180727 326921702 /nfs/dbraw/zinc/92/17/02/326921702.db2.gz GWLLRKNEJKXHTO-UHFFFAOYSA-N 1 0 351.454 2.219 20 30 FEEDRO Cc1nc(C#N)c(N2CCN(C(=O)C[NH2+][C@@H]3CCCC[C@@H]3C(C)C)CC2)o1 ZINC000162600868 327029442 /nfs/dbraw/zinc/02/94/42/327029442.db2.gz GKCFUFZIPDIOCW-IAGOWNOFSA-N 1 0 373.501 2.308 20 30 FEEDRO N#Cc1cc(N2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)ccc1C(F)(F)F ZINC000167256548 327084427 /nfs/dbraw/zinc/08/44/27/327084427.db2.gz KHOSRZQAHRRFKH-INIZCTEOSA-N 1 0 366.387 2.496 20 30 FEEDRO C[N@H+](CCCNC(=O)CNC(=O)c1ccc(C#N)cc1)C1CCCCC1 ZINC000171109822 327118755 /nfs/dbraw/zinc/11/87/55/327118755.db2.gz XNLQYCWSSLGZID-UHFFFAOYSA-N 1 0 356.470 2.059 20 30 FEEDRO COCC[N@H+](C)CCNC(=O)c1ccc(OCc2ccccc2C#N)cc1 ZINC000171128226 327119906 /nfs/dbraw/zinc/11/99/06/327119906.db2.gz CUOCBQNZIAFYCN-UHFFFAOYSA-N 1 0 367.449 2.445 20 30 FEEDRO N#Cc1ccc(CNCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)o1 ZINC000174371053 327322767 /nfs/dbraw/zinc/32/27/67/327322767.db2.gz FAWLJBGTXZBBHQ-KRWDZBQOSA-N 1 0 352.438 2.138 20 30 FEEDRO N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCC[C@@H](CC(N)=O)C1)CCC2 ZINC000175251998 327382583 /nfs/dbraw/zinc/38/25/83/327382583.db2.gz KFVINAVHDBIDRM-LBPRGKRZSA-N 1 0 360.483 2.024 20 30 FEEDRO COc1cc(C#N)ccc1OCC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000177455023 327523631 /nfs/dbraw/zinc/52/36/31/327523631.db2.gz SMZJPBNEGPAWGX-UHFFFAOYSA-N 1 0 357.454 2.469 20 30 FEEDRO CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000178103858 327565572 /nfs/dbraw/zinc/56/55/72/327565572.db2.gz KIQGFOBQWLPKEX-PXNSSMCTSA-N 1 0 371.481 2.142 20 30 FEEDRO CN1CCC([NH+]2CCC(Nc3c(C#N)nnc4ccccc43)CC2)CC1 ZINC000265862093 329167255 /nfs/dbraw/zinc/16/72/55/329167255.db2.gz SEPASCPWNIPWRI-UHFFFAOYSA-N 1 0 350.470 2.472 20 30 FEEDRO CN(C)c1ncc(CNC(=O)N(Cc2ccc(C#N)cc2)C2CC2)n1C ZINC000267625254 329344316 /nfs/dbraw/zinc/34/43/16/329344316.db2.gz PAAHEOSLOIQNRO-UHFFFAOYSA-N 1 0 352.442 2.232 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCC1(C)CCOCC1 ZINC000267801514 329359070 /nfs/dbraw/zinc/35/90/70/329359070.db2.gz AXSBEEVOFYJHGB-UHFFFAOYSA-N 1 0 358.486 2.448 20 30 FEEDRO C[C@H]1C[C@@H](NC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)C[N@@H+]1C1CC1 ZINC000267955522 329371536 /nfs/dbraw/zinc/37/15/36/329371536.db2.gz SBBRBHBDEQYZIP-QFBILLFUSA-N 1 0 367.497 2.011 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCCC(C)(C)CO ZINC000267957142 329371773 /nfs/dbraw/zinc/37/17/73/329371773.db2.gz VYBWJXVRRPDQMQ-UHFFFAOYSA-N 1 0 360.502 2.430 20 30 FEEDRO CCC(CC)(CC(=O)OC)[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000268504841 329428438 /nfs/dbraw/zinc/42/84/38/329428438.db2.gz WFLYVZPTIATUHZ-UHFFFAOYSA-N 1 0 352.456 2.043 20 30 FEEDRO CC(C)[C@H](CNC(=O)C(=O)Nc1ccc(C#N)cc1Cl)[NH+]1CCCC1 ZINC000269086588 329484243 /nfs/dbraw/zinc/48/42/43/329484243.db2.gz JICMZSNOAGXBHW-INIZCTEOSA-N 1 0 362.861 2.387 20 30 FEEDRO CC(C)[NH+]1CCC(N2CCN(c3c(C#N)nnc4ccccc43)CC2)CC1 ZINC000269296052 329505178 /nfs/dbraw/zinc/50/51/78/329505178.db2.gz ANQQEEHHUZLCRS-UHFFFAOYSA-N 1 0 364.497 2.496 20 30 FEEDRO C[C@H]1[C@@H]([NH2+]Cc2cnc3ccc(C#N)cn23)CC(=O)N1Cc1ccccc1 ZINC000367046816 330211001 /nfs/dbraw/zinc/21/10/01/330211001.db2.gz BXYKYAYJZMAPTE-KXBFYZLASA-N 1 0 359.433 2.485 20 30 FEEDRO CN1CC[NH+](C[C@H]2CCCN(C(=O)c3cc(C#N)ccc3Cl)C2)CC1 ZINC000367214067 330231010 /nfs/dbraw/zinc/23/10/10/330231010.db2.gz ZDYUHUYWIMBXAP-MRXNPFEDSA-N 1 0 360.889 2.311 20 30 FEEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]C[C@H](O)CS(=O)(=O)c1cccs1)CC2 ZINC000554991233 674344697 /nfs/dbraw/zinc/34/46/97/674344697.db2.gz SKTDFHQFQGZUOD-GOEBONIOSA-N 1 0 362.476 2.031 20 30 FEEDRO CN(CC(=O)NCc1ccco1)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC000328644586 522405670 /nfs/dbraw/zinc/40/56/70/522405670.db2.gz RWONMQZSZWFOLT-HNAYVOBHSA-N 1 0 359.474 2.485 20 30 FEEDRO CC(C)Oc1ccc(NC(=O)NCCCC[NH+]2CCN(C)CC2)cc1C#N ZINC000157833837 545788857 /nfs/dbraw/zinc/78/88/57/545788857.db2.gz RHHQILFPIHVFAD-UHFFFAOYSA-N 1 0 373.501 2.495 20 30 FEEDRO CC1CC[NH+](C[C@@H](O)CNCc2cn(C)nc2-c2ccc(C#N)cc2)CC1 ZINC000478221925 561162411 /nfs/dbraw/zinc/16/24/11/561162411.db2.gz CDRQDCXGPMQAKT-FQEVSTJZSA-N 1 0 367.497 2.141 20 30 FEEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1nccc(N)n1 ZINC000162758395 546141751 /nfs/dbraw/zinc/14/17/51/546141751.db2.gz PXBHYYNTLYNCFW-UHFFFAOYSA-N 1 0 359.503 2.157 20 30 FEEDRO C=CCN(C(=O)[C@H]1CC[NH2+][C@@H](C)C1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000479135836 561182351 /nfs/dbraw/zinc/18/23/51/561182351.db2.gz AOTIZXYWSUTXNR-UXLLHSPISA-N 1 0 354.458 2.126 20 30 FEEDRO COC[C@H](C)NC(=[NH2+])NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000170909980 546181481 /nfs/dbraw/zinc/18/14/81/546181481.db2.gz UPOOMZMQCXLFOV-NSHDSACASA-N 1 0 355.364 2.330 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cccc3cccnc32)CC1 ZINC000171621209 546216161 /nfs/dbraw/zinc/21/61/61/546216161.db2.gz VALHIRIGBCCJIY-UHFFFAOYSA-N 1 0 352.438 2.330 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)NCc2ccc(Cn3ccnc3)cc2)CC1 ZINC000171713571 546221034 /nfs/dbraw/zinc/22/10/34/546221034.db2.gz GCRKNUGYYKXDKA-UHFFFAOYSA-N 1 0 353.470 2.381 20 30 FEEDRO C=CCOc1ccccc1C(=O)N1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000173296377 546278105 /nfs/dbraw/zinc/27/81/05/546278105.db2.gz CYKRDVZLZZXWPO-SFHVURJKSA-N 1 0 357.498 2.494 20 30 FEEDRO C#CCCOc1ccc(C[NH2+][C@@H]2CCCN(c3ccn(C)n3)C2=O)cc1 ZINC000174588329 546299850 /nfs/dbraw/zinc/29/98/50/546299850.db2.gz UTONDTSQWJYAOQ-GOSISDBHSA-N 1 0 352.438 2.107 20 30 FEEDRO CNC(=O)CC1CC[NH+]([C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)CC1 ZINC000175041523 546305652 /nfs/dbraw/zinc/30/56/52/546305652.db2.gz VAPHYAUGNQVCQN-NGEICVOHSA-N 1 0 362.518 2.154 20 30 FEEDRO N#Cc1cc(F)ccc1NC(=O)C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000175994342 546386512 /nfs/dbraw/zinc/38/65/12/546386512.db2.gz DXYVHYCZSASONG-UHFFFAOYSA-N 1 0 358.417 2.113 20 30 FEEDRO N#Cc1cc(F)ccc1NC(=O)C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000176001642 546389026 /nfs/dbraw/zinc/38/90/26/546389026.db2.gz GWPLBQUTBQBPDT-INIZCTEOSA-N 1 0 358.417 2.017 20 30 FEEDRO C[NH+]=C(NC[C@H](C)N1CCc2sccc2C1)NCC1CCOCC1 ZINC000176345170 546434651 /nfs/dbraw/zinc/43/46/51/546434651.db2.gz HJTWTRDXONYLMD-AWEZNQCLSA-N 1 0 350.532 2.086 20 30 FEEDRO Cc1nc2ccc(NC(=O)N(CCC#N)CCN3CCOCC3)cc2o1 ZINC000176837345 546495490 /nfs/dbraw/zinc/49/54/90/546495490.db2.gz LBVKBODIIUVFKN-UHFFFAOYSA-N 1 0 357.414 2.216 20 30 FEEDRO C[C@H](O)c1ccc(CNC2=[NH+]C[C@H]3CN(C(=O)OC(C)(C)C)CCN23)cc1 ZINC000177002401 546521674 /nfs/dbraw/zinc/52/16/74/546521674.db2.gz NVWHIEMHTKVVPL-YOEHRIQHSA-N 1 0 374.485 2.120 20 30 FEEDRO C=CCCC[C@H](C)NC(=O)C(=O)NCc1ccc(-n2ccnc2)c(F)c1 ZINC000481250593 561228985 /nfs/dbraw/zinc/22/89/85/561228985.db2.gz KMOVPRZBTWFWRE-AWEZNQCLSA-N 1 0 358.417 2.489 20 30 FEEDRO C=CCN(Cc1ccccc1)C(=O)C(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000481132559 561225894 /nfs/dbraw/zinc/22/58/94/561225894.db2.gz XKEVSYTVPAMXTM-ROUUACIJSA-N 1 0 357.498 2.438 20 30 FEEDRO C[N@H+](CCC(=O)Nc1cccc(C#N)c1)CC(C)(C)CN1CCOCC1 ZINC000178934465 546876387 /nfs/dbraw/zinc/87/63/87/546876387.db2.gz HWSIQJNVQZLFFW-UHFFFAOYSA-N 1 0 358.486 2.177 20 30 FEEDRO O=C(NCC[NH2+]Cc1ccc(OC(F)F)c(F)c1)C1N=CC=CC1=O ZINC000178993387 546884684 /nfs/dbraw/zinc/88/46/84/546884684.db2.gz UTIJXOIVDBWIMX-PFONDFGASA-N 1 0 355.316 2.043 20 30 FEEDRO C[NH+]=C(NCC1CCOCC1)N(C)Cc1cc(Br)cn1C ZINC000179218928 546916727 /nfs/dbraw/zinc/91/67/27/546916727.db2.gz MKQRBVZWWPOUBG-UHFFFAOYSA-N 1 0 357.296 2.221 20 30 FEEDRO C=CCN(CCc1ccccc1)C(=O)C(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000481829289 561243441 /nfs/dbraw/zinc/24/34/41/561243441.db2.gz JCWAPORYRUBXNH-RTBURBONSA-N 1 0 371.525 2.480 20 30 FEEDRO Cc1cc(F)ccc1-n1cc(C(=O)N(CCC#N)CCC[NH+](C)C)nn1 ZINC000179381003 546943529 /nfs/dbraw/zinc/94/35/29/546943529.db2.gz CEPVJWHNUORLEV-UHFFFAOYSA-N 1 0 358.421 2.022 20 30 FEEDRO C=CCNC(=O)CNC(=O)NCc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000180408568 547102321 /nfs/dbraw/zinc/10/23/21/547102321.db2.gz DVQSJHMGMNQWNM-IAGOWNOFSA-N 1 0 372.513 2.266 20 30 FEEDRO C[C@H](NC(=O)C(=O)Nc1ccc(F)cc1C#N)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000180407437 547103024 /nfs/dbraw/zinc/10/30/24/547103024.db2.gz RYDFWQSZUXHHTB-KBPBESRZSA-N 1 0 372.444 2.405 20 30 FEEDRO C[N@H+](CCC(=O)Nc1sccc1C#N)[C@H](CC(N)=O)c1ccccc1 ZINC000483097166 561267231 /nfs/dbraw/zinc/26/72/31/561267231.db2.gz GXQDZXCUBZNTTG-OAHLLOKOSA-N 1 0 356.451 2.497 20 30 FEEDRO C[C@@H](O)C[N@@H+]1CCN(Cc2ccc(C#N)cc2Br)C[C@@H]1C ZINC000181093887 547248920 /nfs/dbraw/zinc/24/89/20/547248920.db2.gz YVHASOJKSJQYLD-QWHCGFSZSA-N 1 0 352.276 2.208 20 30 FEEDRO CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000181272441 547283391 /nfs/dbraw/zinc/28/33/91/547283391.db2.gz ZYMHSQNCAWYDJP-IFXJQAMLSA-N 1 0 358.442 2.348 20 30 FEEDRO C[C@H]([NH2+]CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)c1cccnc1 ZINC000181632664 547348279 /nfs/dbraw/zinc/34/82/79/547348279.db2.gz LBIVHCALRLZILB-DOTOQJQBSA-N 1 0 369.494 2.203 20 30 FEEDRO C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000181720371 547366831 /nfs/dbraw/zinc/36/68/31/547366831.db2.gz SNSCSMJGQWXAJA-HNNXBMFYSA-N 1 0 370.453 2.003 20 30 FEEDRO CC(C)[C@@H](CNC(=O)C(=O)Nc1ccccc1O[C@@H](C)C#N)[NH+]1CCCC1 ZINC000181737334 547370598 /nfs/dbraw/zinc/37/05/98/547370598.db2.gz XOAUGTNUVVLEPT-DOTOQJQBSA-N 1 0 372.469 2.153 20 30 FEEDRO C=CCC[C@H](O)C[NH+]1CCN([C@@H](C(=O)OC)c2cccc(Cl)c2)CC1 ZINC000483507096 561278668 /nfs/dbraw/zinc/27/86/68/561278668.db2.gz SPYFWTGPKDFTSM-ZWKOTPCHSA-N 1 0 366.889 2.499 20 30 FEEDRO C[C@@H]([NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1cccc(C#N)c1 ZINC000181971430 547415078 /nfs/dbraw/zinc/41/50/78/547415078.db2.gz UPCUGKJUTXGOBN-CYBMUJFWSA-N 1 0 374.422 2.096 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cnn([C@@H](C)CC)c2C)CC1 ZINC000483872682 561285351 /nfs/dbraw/zinc/28/53/51/561285351.db2.gz PLOBJZDRWIVAMR-AWEZNQCLSA-N 1 0 361.490 2.258 20 30 FEEDRO Cc1nn(CC(=O)OC(C)C)c(C)c1C[NH2+]CCOc1ccc(C#N)cc1 ZINC000182480814 547501315 /nfs/dbraw/zinc/50/13/15/547501315.db2.gz NLAPJYGFLGSRSN-UHFFFAOYSA-N 1 0 370.453 2.492 20 30 FEEDRO CCN(CC(=O)N[C@@](C)(C#N)C1CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000183759135 547714832 /nfs/dbraw/zinc/71/48/32/547714832.db2.gz KTTXIBYVBHUOFX-CTNGQTDRSA-N 1 0 354.498 2.391 20 30 FEEDRO CC1([C@H]2CCC[N@@H+]([C@@H]3CCN(c4ccc(C#N)cc4)C3=O)C2)OCCO1 ZINC000183910524 547737567 /nfs/dbraw/zinc/73/75/67/547737567.db2.gz MXAVHLDXSLWOJW-FUHWJXTLSA-N 1 0 355.438 2.139 20 30 FEEDRO Cc1cc(N2C[C@H](C(=O)N(CCC#N)CCC[NH+](C)C)CC2=O)ccc1F ZINC000184149027 547776941 /nfs/dbraw/zinc/77/69/41/547776941.db2.gz QCNZWTOMZFXAOH-MRXNPFEDSA-N 1 0 374.460 2.181 20 30 FEEDRO CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NS(=O)(=O)c1ccc(C#N)nc1 ZINC000184333584 547808944 /nfs/dbraw/zinc/80/89/44/547808944.db2.gz QKVGVEGRUOYACK-LJQANCHMSA-N 1 0 372.494 2.388 20 30 FEEDRO CCC[NH+]1CCC(CNC(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1 ZINC000184604022 547853647 /nfs/dbraw/zinc/85/36/47/547853647.db2.gz RTUARLDPIFZMFX-UHFFFAOYSA-N 1 0 367.457 2.382 20 30 FEEDRO CC(C)[C@@H]([NH2+]CCOc1ccccc1C#N)c1nc(-c2nc[nH]n2)no1 ZINC000184869837 547890612 /nfs/dbraw/zinc/89/06/12/547890612.db2.gz DWYOPXNWRJUKHU-CQSZACIVSA-N 1 0 353.386 2.092 20 30 FEEDRO COc1cc(C#N)ccc1S(=O)(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000185463058 547988582 /nfs/dbraw/zinc/98/85/82/547988582.db2.gz MYZCBBBELPWPGA-GJZGRUSLSA-N 1 0 365.499 2.213 20 30 FEEDRO COc1cc(C#N)ccc1S(=O)(=O)N(CC(C)C)C1CC[NH+](C)CC1 ZINC000185493425 547991781 /nfs/dbraw/zinc/99/17/81/547991781.db2.gz FUAKRNNTEDRYKP-UHFFFAOYSA-N 1 0 365.499 2.308 20 30 FEEDRO COc1cc(C#N)ccc1S(=O)(=O)NC[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000185866758 548048090 /nfs/dbraw/zinc/04/80/90/548048090.db2.gz RWESYLNFFBOOJW-INIZCTEOSA-N 1 0 365.499 2.213 20 30 FEEDRO Cc1ccc(NC(=O)c2ccc(C#N)cn2)cc1NC(=O)CC[NH+](C)C ZINC000186263061 548108964 /nfs/dbraw/zinc/10/89/64/548108964.db2.gz HSHUOSPAKRDGRG-UHFFFAOYSA-N 1 0 351.410 2.404 20 30 FEEDRO C=CC[C@H](CO)[NH2+][C@H](C)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000186700006 548175763 /nfs/dbraw/zinc/17/57/63/548175763.db2.gz LTFQDTFRPPEHKH-NVXWUHKLSA-N 1 0 352.500 2.449 20 30 FEEDRO C#CCOc1ccccc1NC(=O)C(=O)NCCCCC[NH+]1CCCCC1 ZINC000188036705 548269864 /nfs/dbraw/zinc/26/98/64/548269864.db2.gz VTCZAJNJARADEA-UHFFFAOYSA-N 1 0 371.481 2.410 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)NC[C@](C)(C(=O)OC)c2ccccc2)CC1 ZINC000189644721 548306735 /nfs/dbraw/zinc/30/67/35/548306735.db2.gz FZMLBJDZCZHJHX-NRFANRHFSA-N 1 0 373.497 2.457 20 30 FEEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CC[NH+]2CCC1CC2 ZINC000189791400 548311475 /nfs/dbraw/zinc/31/14/75/548311475.db2.gz OCRLMQOTHNVRJR-CQSZACIVSA-N 1 0 372.494 2.183 20 30 FEEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N2CCCN(C)C(=O)C2)c1 ZINC000191154004 548341530 /nfs/dbraw/zinc/34/15/30/548341530.db2.gz HUAOHEVNTBZLHB-QGZVFWFLSA-N 1 0 356.470 2.103 20 30 FEEDRO C#CCCCC(=O)N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000192099581 548358912 /nfs/dbraw/zinc/35/89/12/548358912.db2.gz AUOMEAHDCJBDDY-IBGZPJMESA-N 1 0 354.498 2.246 20 30 FEEDRO N#C[C@H]1CN(C(=O)C2CC[NH+](C3CC3)CC2)CCN1Cc1ccccc1 ZINC000192552810 548366218 /nfs/dbraw/zinc/36/62/18/548366218.db2.gz JVCGLWCZWQXHSV-FQEVSTJZSA-N 1 0 352.482 2.097 20 30 FEEDRO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192808443 548373216 /nfs/dbraw/zinc/37/32/16/548373216.db2.gz AWAIYFRPMKCCIQ-OWYHZJEWSA-N 1 0 367.449 2.327 20 30 FEEDRO C=CCN1C(=S)N=NC1c1sc(NC(=O)CC[C@@H](C)[NH3+])nc1C ZINC000193186728 548382003 /nfs/dbraw/zinc/38/20/03/548382003.db2.gz HNRIONDZYUWNBH-MRVPVSSYSA-N 1 0 352.489 2.251 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCN(c2cnccn2)CC1)C(C)C ZINC000193859835 548398191 /nfs/dbraw/zinc/39/81/91/548398191.db2.gz NGYQABRURWMBOD-GOSISDBHSA-N 1 0 372.517 2.007 20 30 FEEDRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)Cc2ccc(C#N)cc2)CC1 ZINC000194885519 548545666 /nfs/dbraw/zinc/54/56/66/548545666.db2.gz RVOKMZAMCUXIBZ-QZTJIDSGSA-N 1 0 354.498 2.118 20 30 FEEDRO C[C@H](NC(=O)CN(Cc1ccc(C#N)cc1)C1CC1)C(=O)N1CCCCC1 ZINC000194959275 548556283 /nfs/dbraw/zinc/55/62/83/548556283.db2.gz KECORLUEGVEPHD-INIZCTEOSA-N 1 0 368.481 2.040 20 30 FEEDRO CN(C(=O)Cc1ccc(C#N)nc1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000529470530 562374642 /nfs/dbraw/zinc/37/46/42/562374642.db2.gz JEOULEQHYYYHQN-UHFFFAOYSA-N 1 0 354.376 2.371 20 30 FEEDRO CCOC1CC(C[NH2+]Cc2ccc(O[C@H](C)C#N)cc2)(N2CCOCC2)C1 ZINC000195460150 548643839 /nfs/dbraw/zinc/64/38/39/548643839.db2.gz COHHLRCJNRDUFB-MDMXATFFSA-N 1 0 373.497 2.337 20 30 FEEDRO C=CCN1C(=S)N=NC1c1sc(NC(=O)[C@]2(C)CC[NH2+]C2)nc1C ZINC000237672039 548843401 /nfs/dbraw/zinc/84/34/01/548843401.db2.gz UYKFTGUWDVBLKI-OAHLLOKOSA-N 1 0 364.500 2.123 20 30 FEEDRO C=CCCC[C@@H](C)NC(=O)C(=O)N(C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000487745176 561374871 /nfs/dbraw/zinc/37/48/71/561374871.db2.gz VQPHKJJBLYIBLW-NEWSRXKRSA-N 1 0 372.513 2.394 20 30 FEEDRO C[C@H](CNC(=O)c1ccc(-n2ncc(C#N)c2N)cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000245394446 548905778 /nfs/dbraw/zinc/90/57/78/548905778.db2.gz FQAJMPQLRLYNFH-HUUCEWRRSA-N 1 0 366.469 2.176 20 30 FEEDRO Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3[C@H](C)C[C@@H]4CCCC[C@@H]43)CC2)o1 ZINC000245458939 548925804 /nfs/dbraw/zinc/92/58/04/548925804.db2.gz VBVDCJIQJQCZRC-HFTRVMKXSA-N 1 0 371.485 2.156 20 30 FEEDRO N#Cc1ccc(OC[C@H](O)CN2CCO[C@]3(CCc4ccccc43)C2)cc1 ZINC000245507677 548935848 /nfs/dbraw/zinc/93/58/48/548935848.db2.gz IHAYAKFLONBRHD-DENIHFKCSA-N 1 0 364.445 2.472 20 30 FEEDRO CC[C@H]1CN([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC[N@@H+]1CCOC ZINC000245536698 548940612 /nfs/dbraw/zinc/94/06/12/548940612.db2.gz XSKMOOMQRBYTTB-ICSRJNTNSA-N 1 0 370.497 2.096 20 30 FEEDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)Cc2cccc(OCC#N)c2)[C@@H](C)C1 ZINC000245548559 548944234 /nfs/dbraw/zinc/94/42/34/548944234.db2.gz FTYQMZBEEIRKPQ-PXNSSMCTSA-N 1 0 373.497 2.385 20 30 FEEDRO Cc1c(C#N)cccc1NC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000245647964 548965182 /nfs/dbraw/zinc/96/51/82/548965182.db2.gz MBHCXVFVUXNVNE-OALUTQOASA-N 1 0 362.433 2.367 20 30 FEEDRO N#Cc1cccc(NC(=O)CC[N@@H+]2CC[C@H]3[C@@H](CCC(=O)N3C3CC3)C2)c1 ZINC000245901604 549014580 /nfs/dbraw/zinc/01/45/80/549014580.db2.gz UGBUADBPQQKWLU-LPHOPBHVSA-N 1 0 366.465 2.362 20 30 FEEDRO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCS[C@H]3CCCC[C@H]32)CC1 ZINC000245988152 549032424 /nfs/dbraw/zinc/03/24/24/549032424.db2.gz HPVGNGJDZVZFJE-SQNIBIBYSA-N 1 0 364.559 2.039 20 30 FEEDRO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000246581312 549167142 /nfs/dbraw/zinc/16/71/42/549167142.db2.gz GCXQEECJPWTLAR-QZTJIDSGSA-N 1 0 366.469 2.325 20 30 FEEDRO C=CCn1cccc1C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000488742905 561395815 /nfs/dbraw/zinc/39/58/15/561395815.db2.gz GPYTVDXTGOKYON-UHFFFAOYSA-N 1 0 360.502 2.031 20 30 FEEDRO C[C@H](C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000246703951 549191932 /nfs/dbraw/zinc/19/19/32/549191932.db2.gz KGLXURQAETYACP-RMJJICAUSA-N 1 0 354.498 2.484 20 30 FEEDRO C=CCn1cccc1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000488824684 561397807 /nfs/dbraw/zinc/39/78/07/561397807.db2.gz ZKRVRUBFWVDDKQ-MOPGFXCFSA-N 1 0 353.466 2.287 20 30 FEEDRO C[N@@H+]1CCC[C@@H]2CN(S(=O)(=O)c3ccc(C#N)c(Cl)c3)CC[C@H]21 ZINC000246832729 549224855 /nfs/dbraw/zinc/22/48/55/549224855.db2.gz BTOPUOIAJNHKPN-CZUORRHYSA-N 1 0 353.875 2.316 20 30 FEEDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNS(=O)(=O)c2ccc(C#N)c(F)c2)C1 ZINC000489111506 561403498 /nfs/dbraw/zinc/40/34/98/561403498.db2.gz PPHYLIPMAZBZKP-CYBMUJFWSA-N 1 0 353.463 2.486 20 30 FEEDRO Cc1ncc(S(=O)(=O)NCC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1C#N ZINC000489115012 561403807 /nfs/dbraw/zinc/40/38/07/561403807.db2.gz FIYWMRYJPAUUBS-OKILXGFUSA-N 1 0 364.515 2.297 20 30 FEEDRO C[C@H](CNC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C)[N@@H+]1CCC[C@H](C)C1 ZINC000248681363 549482691 /nfs/dbraw/zinc/48/26/91/549482691.db2.gz OYZSPWYFGXYROF-LSDHHAIUSA-N 1 0 373.501 2.290 20 30 FEEDRO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CC[C@]3(C2)OCc2ccccc23)cc1 ZINC000248797149 549503752 /nfs/dbraw/zinc/50/37/52/549503752.db2.gz YWVGKTLLRLKWAG-WIYYLYMNSA-N 1 0 350.418 2.429 20 30 FEEDRO C=CCCCS(=O)(=O)N(C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000489885340 561421561 /nfs/dbraw/zinc/42/15/61/561421561.db2.gz KLFIPYWIRBJWNV-UHFFFAOYSA-N 1 0 365.543 2.032 20 30 FEEDRO CCC[C@@H]1CN([C@H](C)C(=O)Nc2ccccc2C#N)CC[N@@H+]1CCOC ZINC000252799232 549678754 /nfs/dbraw/zinc/67/87/54/549678754.db2.gz AGZCYDMZUJYUIE-SJLPKXTDSA-N 1 0 358.486 2.318 20 30 FEEDRO C[NH+]=C(NCc1cn2ccc(C)cc2n1)N1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000261952162 549773492 /nfs/dbraw/zinc/77/34/92/549773492.db2.gz HTGHSNLTPXZFHQ-SJLPKXTDSA-N 1 0 365.485 2.498 20 30 FEEDRO C[NH+]=C(NCc1nnc2n1CCC2)N[C@@H](C)c1cccc(N2CCCC2)c1 ZINC000261968222 549775278 /nfs/dbraw/zinc/77/52/78/549775278.db2.gz LZVODOASSWLRKL-HNNXBMFYSA-N 1 0 367.501 2.251 20 30 FEEDRO C[NH+]=C(NCc1ccc(C(N)=O)o1)N[C@H]1CC(C)(C)Oc2ccccc21 ZINC000261992905 549778162 /nfs/dbraw/zinc/77/81/62/549778162.db2.gz RTXHQEYNCKXWDA-AWEZNQCLSA-N 1 0 356.426 2.346 20 30 FEEDRO C[NH+]=C(NCc1c[nH]nc1C)NC[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000262013693 549779499 /nfs/dbraw/zinc/77/94/99/549779499.db2.gz VIJRENJLRPSGNI-CQSZACIVSA-N 1 0 356.257 2.424 20 30 FEEDRO N#Cc1cc(S(=O)(=O)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)ccc1C(F)(F)F ZINC000262053498 549783942 /nfs/dbraw/zinc/78/39/42/549783942.db2.gz MYAYUNBFGLZXJH-FOSCPWQOSA-N 1 0 359.373 2.138 20 30 FEEDRO CS(=O)(=O)Cc1ccccc1CNC(=[NH2+])N[C@H]1CCOc2ccccc21 ZINC000262424500 549818917 /nfs/dbraw/zinc/81/89/17/549818917.db2.gz RJNBIOPXTJCRRE-KRWDZBQOSA-N 1 0 373.478 2.159 20 30 FEEDRO CC/[NH+]=C(/NCc1cn2ccsc2n1)N1CC[C@H](c2cnn(C)c2)C1 ZINC000262443672 549820439 /nfs/dbraw/zinc/82/04/39/549820439.db2.gz IEJPXBGCMBUSAS-ZDUSSCGKSA-N 1 0 357.487 2.084 20 30 FEEDRO C[NH+]=C(NCc1cc(Br)cs1)N1CCC(C(=O)OC)CC1 ZINC000262587814 549830221 /nfs/dbraw/zinc/83/02/21/549830221.db2.gz TUPYUHBRSICUTH-UHFFFAOYSA-N 1 0 374.304 2.471 20 30 FEEDRO C[C@@H]1C[NH+]=C(NC[C@@H](c2ccc(C(F)(F)F)cc2)N2CCOCC2)N1 ZINC000262665771 549836810 /nfs/dbraw/zinc/83/68/10/549836810.db2.gz OPDQMZWNKHMXDO-DOMZBBRYSA-N 1 0 356.392 2.016 20 30 FEEDRO Cc1ccc(NC(=[NH2+])NC[C@H]2CCCC[C@H]2NS(C)(=O)=O)cc1C ZINC000262675933 549837662 /nfs/dbraw/zinc/83/76/62/549837662.db2.gz UABMIMAHFLANLR-GDBMZVCRSA-N 1 0 352.504 2.138 20 30 FEEDRO CC[NH+]=C(NCC1CCSCC1)N1CCN(C(=O)c2ccco2)CC1 ZINC000262799412 549851232 /nfs/dbraw/zinc/85/12/32/549851232.db2.gz QNHGGTLLEGKWNC-UHFFFAOYSA-N 1 0 364.515 2.146 20 30 FEEDRO CCN(CCC#N)C(=O)C[NH+]1CCC(C(=O)Nc2cccc(F)c2)CC1 ZINC000263766891 549933570 /nfs/dbraw/zinc/93/35/70/549933570.db2.gz VSTLHNWHYNINAV-UHFFFAOYSA-N 1 0 360.433 2.238 20 30 FEEDRO C[C@H](CNS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)[N@H+](C)C1CC1 ZINC000263941535 549957887 /nfs/dbraw/zinc/95/78/87/549957887.db2.gz QLHAULMGOZFISP-SNVBAGLBSA-N 1 0 361.389 2.338 20 30 FEEDRO Cc1cc(C)cc(NC(=[NH2+])NCc2ccc(S(=O)(=O)N(C)C)cc2)c1 ZINC000264081542 549976873 /nfs/dbraw/zinc/97/68/73/549976873.db2.gz HNZIGQAWPZIECU-UHFFFAOYSA-N 1 0 360.483 2.481 20 30 FEEDRO CCOC(=O)N1CCC(NC(=[NH2+])NCCSc2ccccc2)CC1 ZINC000264114041 549980753 /nfs/dbraw/zinc/98/07/53/549980753.db2.gz PPBOCWWAXNHWFE-UHFFFAOYSA-N 1 0 350.488 2.304 20 30 FEEDRO C=CCN(C(=O)c1ccc(C[NH+]2CCCC2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000264155271 549985928 /nfs/dbraw/zinc/98/59/28/549985928.db2.gz ILJUYMZMQIWCEZ-SFHVURJKSA-N 1 0 362.495 2.098 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(C)c(OCC)c2)CC1 ZINC000264360344 549994512 /nfs/dbraw/zinc/99/45/12/549994512.db2.gz HKUXGHPWDSUFOI-UHFFFAOYSA-N 1 0 359.470 2.489 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H]2CCN(c3cccc(OC)c3)C2)CC1 ZINC000264343811 549994682 /nfs/dbraw/zinc/99/46/82/549994682.db2.gz JGNTZHJKZOFYQR-QGZVFWFLSA-N 1 0 358.486 2.224 20 30 FEEDRO C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000265869198 550015012 /nfs/dbraw/zinc/01/50/12/550015012.db2.gz VGLQKSBUSUZNFB-JKSUJKDBSA-N 1 0 351.491 2.422 20 30 FEEDRO COCCOC[C@@H]1CC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000266622402 550022207 /nfs/dbraw/zinc/02/22/07/550022207.db2.gz LNXQVVOYTNERDN-ZWKOTPCHSA-N 1 0 359.470 2.307 20 30 FEEDRO C=CCNC(=O)[C@@H](C)N1CCCN(Cc2csc([C@H](C)OC)n2)CC1 ZINC000267725076 550033960 /nfs/dbraw/zinc/03/39/60/550033960.db2.gz MILPKPOBIZHYAD-CABCVRRESA-N 1 0 366.531 2.049 20 30 FEEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(C#N)cc2Cl)C[C@H]1C ZINC000491470997 561445894 /nfs/dbraw/zinc/44/58/94/561445894.db2.gz KKBXXBZWCPEJRM-OCCSQVGLSA-N 1 0 362.861 2.481 20 30 FEEDRO C[NH+](C)CCOc1ccc(CCNc2nccc(C#N)c2[N+](=O)[O-])cc1 ZINC000268463412 550070081 /nfs/dbraw/zinc/07/00/81/550070081.db2.gz HVDUBFFYKYUSRA-UHFFFAOYSA-N 1 0 355.398 2.456 20 30 FEEDRO N#Cc1cnc(C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)c(Cl)c1 ZINC000491835420 561447918 /nfs/dbraw/zinc/44/79/18/561447918.db2.gz OWCCKIPWPQGHFO-JKSUJKDBSA-N 1 0 362.861 2.104 20 30 FEEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH2+][C@H]1CCC[C@@]1(C)CO ZINC000493444543 561456203 /nfs/dbraw/zinc/45/62/03/561456203.db2.gz WDDWOIMDTKGDLV-QSFXBCCZSA-N 1 0 359.470 2.471 20 30 FEEDRO C[NH+](C)CCn1cc(NC(=O)CSc2ccc(C#N)cc2)ccc1=O ZINC000270305633 550260455 /nfs/dbraw/zinc/26/04/55/550260455.db2.gz ZEYIYLONDGPRLX-UHFFFAOYSA-N 1 0 356.451 2.012 20 30 FEEDRO N#CCc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)cc1 ZINC000270871085 550315810 /nfs/dbraw/zinc/31/58/10/550315810.db2.gz ODHIQTHIZRYQQP-RTWAWAEBSA-N 1 0 363.461 2.365 20 30 FEEDRO CCC[C@H]1CN(CC(=O)N(CCC#N)c2ccccc2)CC[N@@H+]1CCOC ZINC000270979514 550328041 /nfs/dbraw/zinc/32/80/41/550328041.db2.gz CCENKIFUSSFWGF-FQEVSTJZSA-N 1 0 372.513 2.366 20 30 FEEDRO CC(=O)N1CCN(c2ccccc2CNC(=[NH2+])NC2CCCCCC2)CC1 ZINC000271249595 550357574 /nfs/dbraw/zinc/35/75/74/550357574.db2.gz HNFDRXUNPDPREP-UHFFFAOYSA-N 1 0 371.529 2.482 20 30 FEEDRO C=CCNC(=O)C[NH2+][C@H]1CC(=O)N(C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000494204014 561464446 /nfs/dbraw/zinc/46/44/46/561464446.db2.gz GYIOBHXXDUORAN-MAUKXSAKSA-N 1 0 367.852 2.421 20 30 FEEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH2+][C@]1(C)CCO[C@@H]1C ZINC000494256357 561465852 /nfs/dbraw/zinc/46/58/52/561465852.db2.gz IPQUWONZBGINPJ-DNVCBOLYSA-N 1 0 362.474 2.109 20 30 FEEDRO C[C@@H]([NH2+]CC(=O)NC1(C#N)CCCCC1)c1ccc2c(c1)CC(=O)N2C ZINC000271804131 550402898 /nfs/dbraw/zinc/40/28/98/550402898.db2.gz KURSQCOUGZRWAQ-CQSZACIVSA-N 1 0 354.454 2.199 20 30 FEEDRO C[N@@H+]1CC[C@H]2CCN(S(=O)(=O)c3ccc(C#N)c(C(F)(F)F)c3)[C@@H]2C1 ZINC000272278355 550433915 /nfs/dbraw/zinc/43/39/15/550433915.db2.gz DGFPOWHULQIBTR-XHDPSFHLSA-N 1 0 373.400 2.292 20 30 FEEDRO C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)Nc3ccccc3SCCC#N)[C@@H]2C1 ZINC000272358763 550440508 /nfs/dbraw/zinc/44/05/08/550440508.db2.gz RVNWMWNHXRAYJC-GOEBONIOSA-N 1 0 372.494 2.183 20 30 FEEDRO CCOc1ccc(N(CCC#N)C(=O)C[NH2+][C@H]2CCO[C@H]2C2CC2)cc1 ZINC000494464342 561470347 /nfs/dbraw/zinc/47/03/47/561470347.db2.gz QKKJBYQKNIRKLH-ICSRJNTNSA-N 1 0 357.454 2.489 20 30 FEEDRO C[NH+]1CCN(Cc2ccc(CNC(=O)N3CCC(C)(C#N)CC3)cc2)CC1 ZINC000272416356 550445587 /nfs/dbraw/zinc/44/55/87/550445587.db2.gz MOGUQBHSTBUZFP-UHFFFAOYSA-N 1 0 369.513 2.269 20 30 FEEDRO C[C@H](NC(=O)N1CCCN(c2ccccc2C#N)CC1)C1=CC[N@H+](C)CC1 ZINC000272740147 550467782 /nfs/dbraw/zinc/46/77/82/550467782.db2.gz CQFSINHBAKGFIW-KRWDZBQOSA-N 1 0 367.497 2.430 20 30 FEEDRO C[C@@H](CNC1=[NH+]C[C@H]2CN(C(=O)OC(C)(C)C)CCN12)c1nccs1 ZINC000273498744 550500803 /nfs/dbraw/zinc/50/08/03/550500803.db2.gz OXRWFONPGWNPKO-STQMWFEESA-N 1 0 365.503 2.127 20 30 FEEDRO CN(C)C(=O)CC[NH+]1CCN(c2ccc(C(F)(F)F)c(C#N)c2)CC1 ZINC000274211185 550528052 /nfs/dbraw/zinc/52/80/52/550528052.db2.gz KYHZJFHZGLHSQB-UHFFFAOYSA-N 1 0 354.376 2.177 20 30 FEEDRO CCN(C[C@H](C)C#N)C(=O)CN[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000274796775 550555134 /nfs/dbraw/zinc/55/51/34/550555134.db2.gz DKPZWCWDUYHVKD-HBFSDRIKSA-N 1 0 356.514 2.495 20 30 FEEDRO C#CCOc1ccccc1NC(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000274884575 550562457 /nfs/dbraw/zinc/56/24/57/550562457.db2.gz XUDJOGPOMPVQLK-MSOLQXFVSA-N 1 0 357.454 2.198 20 30 FEEDRO C=CCN(C(=O)C(=O)Nc1ccc(N(C)C2CC[NH+](C)CC2)cc1)C1CC1 ZINC000276044076 550576251 /nfs/dbraw/zinc/57/62/51/550576251.db2.gz JKTRXZYOWSURIQ-UHFFFAOYSA-N 1 0 370.497 2.333 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CC[C@@H](N2CCCC2=O)C1)C(C)C ZINC000276661621 550582858 /nfs/dbraw/zinc/58/28/58/550582858.db2.gz QLXWSPQHQDFRCO-MSOLQXFVSA-N 1 0 362.518 2.091 20 30 FEEDRO CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cccc(Br)c1[O-] ZINC000277476773 550675253 /nfs/dbraw/zinc/67/52/53/550675253.db2.gz KHWBPVRLDLICHL-GFCCVEGCSA-N 1 0 355.280 2.043 20 30 FEEDRO Cc1ncc(CO)c(/C=N/C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)c1O ZINC000277519288 550680135 /nfs/dbraw/zinc/68/01/35/550680135.db2.gz VAAXLJTYBNMBAY-OZNZCJATSA-N 1 0 369.465 2.298 20 30 FEEDRO C=CCNC(=O)c1ccc(NC(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)cc1 ZINC000277582788 550687504 /nfs/dbraw/zinc/68/75/04/550687504.db2.gz UDRDBGFKIHGDBZ-INIZCTEOSA-N 1 0 374.485 2.225 20 30 FEEDRO N#Cc1ccc(Cl)c(S(=O)(=O)NCC2CC[NH+](C3CC3)CC2)c1 ZINC000277812726 550716939 /nfs/dbraw/zinc/71/69/39/550716939.db2.gz XPPNDOAKGKETHP-UHFFFAOYSA-N 1 0 353.875 2.364 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N2[C@H](C(=O)OC)CC[C@H]2c2ccccc2)CC1 ZINC000279311340 550876318 /nfs/dbraw/zinc/87/63/18/550876318.db2.gz BRTKTZOSGGHWCI-OALUTQOASA-N 1 0 354.450 2.237 20 30 FEEDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000279389827 550884722 /nfs/dbraw/zinc/88/47/22/550884722.db2.gz HBVPXYRKZPYQEL-INIZCTEOSA-N 1 0 356.426 2.300 20 30 FEEDRO N#Cc1cccc(NC(=O)C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000279500822 550897015 /nfs/dbraw/zinc/89/70/15/550897015.db2.gz GQPLGIILUKWYHW-KDURUIRLSA-N 1 0 374.444 2.087 20 30 FEEDRO C#CCn1ccc(CN(CC)C(=O)NC[C@H]2CCC[N@H+](CC(C)C)C2)n1 ZINC000279608796 550908230 /nfs/dbraw/zinc/90/82/30/550908230.db2.gz WVWNGFUJIKOVGT-GOSISDBHSA-N 1 0 359.518 2.416 20 30 FEEDRO C[C@H](O)C[C@H]1CCCCN1CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000279829207 550933525 /nfs/dbraw/zinc/93/35/25/550933525.db2.gz QYXJDRBQKCQACI-SQWLQELKSA-N 1 0 368.437 2.137 20 30 FEEDRO C[C@@H]1OCC[C@@]12C[N@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)CCO2 ZINC000280472340 550997834 /nfs/dbraw/zinc/99/78/34/550997834.db2.gz PBGGSHIVOHACER-SCLBCKFNSA-N 1 0 363.845 2.420 20 30 FEEDRO Cc1oc(C#N)cc1C(=O)NCCN1CCN(c2ccc(F)cc2)CC1 ZINC000280611425 551013284 /nfs/dbraw/zinc/01/32/84/551013284.db2.gz QLNQOWARHPKCCF-UHFFFAOYSA-N 1 0 356.401 2.151 20 30 FEEDRO CNC(=O)[C@@]1(C)CC[N@H+](CC(=O)N(CCC#N)c2ccc(C)c(C)c2)C1 ZINC000280658294 551018496 /nfs/dbraw/zinc/01/84/96/551018496.db2.gz DRHOVYLDPMUNEV-FQEVSTJZSA-N 1 0 356.470 2.008 20 30 FEEDRO O=C1N[C@H]2CC[N@@H+](CC#Cc3ccc(OC(F)(F)F)cc3)C[C@@H]2CO1 ZINC000281210639 551074266 /nfs/dbraw/zinc/07/42/66/551074266.db2.gz DBIWKKARMBHFAH-HIFRSBDPSA-N 1 0 354.328 2.367 20 30 FEEDRO CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000497370078 561499514 /nfs/dbraw/zinc/49/95/14/561499514.db2.gz MTHFKEHGLULSAB-LPHOPBHVSA-N 1 0 370.497 2.191 20 30 FEEDRO CCCCNC(=O)[C@@H]1CCC[N@@H+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000497397820 561500032 /nfs/dbraw/zinc/50/00/32/561500032.db2.gz VDUSDALLVLEEHD-MDZRGWNJSA-N 1 0 350.507 2.058 20 30 FEEDRO C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)CCOc1ccccc1C#N ZINC000497584621 561504287 /nfs/dbraw/zinc/50/42/87/561504287.db2.gz IAWFHGDCDMAFGI-AWEZNQCLSA-N 1 0 359.451 2.277 20 30 FEEDRO C[C@H](CC#N)N(C)S(=O)(=O)NCc1ccc(N2CCCCCC2)nc1 ZINC000282893209 551282423 /nfs/dbraw/zinc/28/24/23/551282423.db2.gz DVDPSMXALALFSF-OAHLLOKOSA-N 1 0 365.503 2.030 20 30 FEEDRO COCCN(CC[NH+](C)C)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 ZINC000283110750 551313309 /nfs/dbraw/zinc/31/33/09/551313309.db2.gz XMGJKSFGFDAIPW-UHFFFAOYSA-N 1 0 374.363 2.499 20 30 FEEDRO C[C@@H](NC(=O)C(=O)N1CCC([NH+]2CCCCC2)CC1)c1ccc(C#N)cc1 ZINC000283901063 551446389 /nfs/dbraw/zinc/44/63/89/551446389.db2.gz HZASBNMVKWOIKU-MRXNPFEDSA-N 1 0 368.481 2.212 20 30 FEEDRO C=CCN(CC=C)C(=O)C(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000283904414 551447024 /nfs/dbraw/zinc/44/70/24/551447024.db2.gz DCZAGHSKFWTOJJ-IBGZPJMESA-N 1 0 371.481 2.149 20 30 FEEDRO C=CCNC(=S)C(C(=O)c1cnn(C)n1)[n+]1ccc(C(C)(C)C)cc1 ZINC000283928375 551451826 /nfs/dbraw/zinc/45/18/26/551451826.db2.gz FAFGRUHBUIJRLO-UHFFFAOYSA-O 1 0 358.491 2.115 20 30 FEEDRO COCCn1cc(CNC(=[NH2+])NCc2cccc(C(F)(F)F)c2)cn1 ZINC000283950872 551455992 /nfs/dbraw/zinc/45/59/92/551455992.db2.gz WPRTTZRWQOSLII-UHFFFAOYSA-N 1 0 355.364 2.153 20 30 FEEDRO COc1cccc([C@@H](CNC(=O)Cc2noc(C)c2C#N)[NH+]2CCCC2)c1 ZINC000498523333 561526885 /nfs/dbraw/zinc/52/68/85/561526885.db2.gz KXNKOYJEJGRONT-LJQANCHMSA-N 1 0 368.437 2.359 20 30 FEEDRO CC(C)[C@H](C#N)NC(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1c1cnn(C)c1 ZINC000284776812 551630558 /nfs/dbraw/zinc/63/05/58/551630558.db2.gz FWUSTONWBALEEY-AABGKKOBSA-N 1 0 365.481 2.300 20 30 FEEDRO C=CCCO[C@@H](C)C(=O)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000498566493 561528720 /nfs/dbraw/zinc/52/87/20/561528720.db2.gz KMFIOSUVQXSETA-HNNXBMFYSA-N 1 0 359.470 2.304 20 30 FEEDRO C[N@@H+]1CCN(CC(=O)Nc2sccc2C#N)C[C@@H]1Cc1ccccc1 ZINC000284954534 551676239 /nfs/dbraw/zinc/67/62/39/551676239.db2.gz ZKZFHWNQPSFVIN-KRWDZBQOSA-N 1 0 354.479 2.417 20 30 FEEDRO Cc1nc2sccn2c(=O)c1CCO[NH+]=C(N)c1ccc(N(C)C)cc1 ZINC000285119665 551707645 /nfs/dbraw/zinc/70/76/45/551707645.db2.gz KIOWVFIZKWLSRI-UHFFFAOYSA-N 1 0 371.466 2.010 20 30 FEEDRO COCC[NH+](CCOC)C1CCN(Cc2ccc(OC)c(C#N)c2)CC1 ZINC000285453657 551759166 /nfs/dbraw/zinc/75/91/66/551759166.db2.gz JGWKTDVOCRDPCT-UHFFFAOYSA-N 1 0 361.486 2.126 20 30 FEEDRO CC(C)[NH+]1CCN(C(=O)C2CCN(c3ccc(C#N)cc3F)CC2)CC1 ZINC000285528286 551770425 /nfs/dbraw/zinc/77/04/25/551770425.db2.gz RECPZSNQVZDTSF-UHFFFAOYSA-N 1 0 358.461 2.466 20 30 FEEDRO C=CCN(Cc1ccccc1)C(=O)C(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000285771105 551808310 /nfs/dbraw/zinc/80/83/10/551808310.db2.gz GNRWRYCNQKCIRI-LJQANCHMSA-N 1 0 357.498 2.438 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC000286160102 551855770 /nfs/dbraw/zinc/85/57/70/551855770.db2.gz YYAFTWXFDYEFEJ-QGZVFWFLSA-N 1 0 371.460 2.218 20 30 FEEDRO C[C@H](CNC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1)C[NH+]1CCCC1 ZINC000286370842 551879928 /nfs/dbraw/zinc/87/99/28/551879928.db2.gz JUVBFNIDBSBEEE-NVXWUHKLSA-N 1 0 358.461 2.372 20 30 FEEDRO N#Cc1cc(NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)cc(N)c1[N+](=O)[O-] ZINC000286729352 551919729 /nfs/dbraw/zinc/91/97/29/551919729.db2.gz FMZGVWLHEHLXJY-KRWDZBQOSA-N 1 0 367.409 2.227 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(CCC)Cc2ccccc2O)CC1 ZINC000286803062 551927552 /nfs/dbraw/zinc/92/75/52/551927552.db2.gz VBPGARRGFRYKFG-UHFFFAOYSA-N 1 0 373.497 2.288 20 30 FEEDRO C#CC[C@H](Cc1ccccc1)NC(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000287231542 551979265 /nfs/dbraw/zinc/97/92/65/551979265.db2.gz FZYPKRQFLCNQBO-NJDAHSKKSA-N 1 0 369.509 2.298 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H](CCC)Cc2ccccc2)CC1 ZINC000287502565 552012263 /nfs/dbraw/zinc/01/22/63/552012263.db2.gz YXOYJBBPOLFAMM-IBGZPJMESA-N 1 0 357.498 2.281 20 30 FEEDRO C=CCCCN(C)C(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000287824091 552051577 /nfs/dbraw/zinc/05/15/77/552051577.db2.gz BTRPIRZFRMRKJU-MJGOQNOKSA-N 1 0 357.498 2.438 20 30 FEEDRO N#Cc1cc(N2CCCN(Cc3cscn3)CC2)cc(N)c1[N+](=O)[O-] ZINC000287860282 552055891 /nfs/dbraw/zinc/05/58/91/552055891.db2.gz MCGQYIOTWGNTDO-UHFFFAOYSA-N 1 0 358.427 2.217 20 30 FEEDRO N#Cc1ccc(CN2CC[C@H]([NH2+][C@@H]3CCO[C@H](C(F)(F)F)C3)C2=O)cc1 ZINC000287895118 552060158 /nfs/dbraw/zinc/06/01/58/552060158.db2.gz ZGGWJJLHWSUQRZ-PMPSAXMXSA-N 1 0 367.371 2.359 20 30 FEEDRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]CCCC2(C#N)CCOCC2)c1 ZINC000499602205 561554352 /nfs/dbraw/zinc/55/43/52/561554352.db2.gz KZMBZINGVOHJJR-OAHLLOKOSA-N 1 0 365.499 2.346 20 30 FEEDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000288208968 552110726 /nfs/dbraw/zinc/11/07/26/552110726.db2.gz SZFDTCNCLNTSLC-GOEBONIOSA-N 1 0 371.485 2.138 20 30 FEEDRO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CC[C@](CO)(Cc2ccc(F)cc2)C1 ZINC000288788704 552212951 /nfs/dbraw/zinc/21/29/51/552212951.db2.gz KZSABNRVRRSVDB-JXFKEZNVSA-N 1 0 361.461 2.061 20 30 FEEDRO C=CCN1CC[C@@H]([N@H+](C)CCCCCn2nnc(-c3ccccc3)n2)C1=O ZINC000500018048 561564219 /nfs/dbraw/zinc/56/42/19/561564219.db2.gz KNKLJQUTNRAVQT-GOSISDBHSA-N 1 0 368.485 2.229 20 30 FEEDRO C#CCN(Cc1ccccc1)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000289293773 552296260 /nfs/dbraw/zinc/29/62/60/552296260.db2.gz UVDSDOIGIJCWAK-VQTJNVASSA-N 1 0 355.482 2.209 20 30 FEEDRO Cc1onc(CC(=O)NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)c1C#N ZINC000500359977 561570643 /nfs/dbraw/zinc/57/06/43/561570643.db2.gz HLBYMLCBXWLGRY-ZDUSSCGKSA-N 1 0 353.426 2.134 20 30 FEEDRO CC(C)[C@@](C)([NH2+]CC(=O)Nc1sc2c(c1C#N)CCCCC2)C(N)=O ZINC000289393111 552314071 /nfs/dbraw/zinc/31/40/71/552314071.db2.gz REXVGAIJAHYTRG-GOSISDBHSA-N 1 0 362.499 2.317 20 30 FEEDRO COc1ccc(C[NH2+]C[C@H]2CCCS(=O)(=O)C2)cc1OCCCC#N ZINC000290133655 552432506 /nfs/dbraw/zinc/43/25/06/552432506.db2.gz NFKBFZMJMBPYAH-MRXNPFEDSA-N 1 0 366.483 2.292 20 30 FEEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1c2ccccc2CC12CCOCC2 ZINC000290146761 552434906 /nfs/dbraw/zinc/43/49/06/552434906.db2.gz NFDYJSNDNWLKRE-WMLDXEAASA-N 1 0 357.454 2.071 20 30 FEEDRO C#Cc1ccccc1CC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000290289275 552454725 /nfs/dbraw/zinc/45/47/25/552454725.db2.gz ASIZVHQHBSUVLA-YADHBBJMSA-N 1 0 362.473 2.210 20 30 FEEDRO N#Cc1ccc(NC(=O)C(=O)N2CC[NH+](C3CCCCC3)CC2)cc1F ZINC000290859254 552551282 /nfs/dbraw/zinc/55/12/82/552551282.db2.gz RSKQWIMKHGIOJY-UHFFFAOYSA-N 1 0 358.417 2.113 20 30 FEEDRO C[NH+]1CCC(CC(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)CC1 ZINC000291711284 552653606 /nfs/dbraw/zinc/65/36/06/552653606.db2.gz PZHVMFUWLUJRNY-UHFFFAOYSA-N 1 0 356.470 2.491 20 30 FEEDRO N#Cc1ccc(NC(=O)CC[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1 ZINC000292086595 552692320 /nfs/dbraw/zinc/69/23/20/552692320.db2.gz FDAMUVCLOFMBAD-SFHVURJKSA-N 1 0 361.405 2.307 20 30 FEEDRO Cc1cc(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)ccc1-n1cncn1 ZINC000292781223 552757937 /nfs/dbraw/zinc/75/79/37/552757937.db2.gz LKRLZTAJTXEQEW-GOSISDBHSA-N 1 0 360.421 2.496 20 30 FEEDRO C#CCNC(=O)CC[NH+]1CCC(N(CCC)C(=O)c2cccs2)CC1 ZINC000292793597 552758908 /nfs/dbraw/zinc/75/89/08/552758908.db2.gz LRKQBOMHNQKPDT-UHFFFAOYSA-N 1 0 361.511 2.204 20 30 FEEDRO C=CCOCC[NH+]1CCN(Cc2cc(OC)c(OC)c(OC)c2)CC1 ZINC000292841355 552763837 /nfs/dbraw/zinc/76/38/37/552763837.db2.gz PRNVQZBXVHQTJM-UHFFFAOYSA-N 1 0 350.459 2.033 20 30 FEEDRO C=C(C)Cn1c([C@@H](C)CC)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000292857784 552765468 /nfs/dbraw/zinc/76/54/68/552765468.db2.gz GPPLLIZSSYOLEV-IRXDYDNUSA-N 1 0 374.533 2.111 20 30 FEEDRO C[N@@H+]1CCC[C@]2(CCN(S(=O)(=O)c3ccc(C#N)c(Cl)c3)C2)C1 ZINC000292904263 552769799 /nfs/dbraw/zinc/76/97/99/552769799.db2.gz WIOPMBYSSYSWHY-INIZCTEOSA-N 1 0 353.875 2.318 20 30 FEEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)NC[C@@H](C)C[NH+](C)C ZINC000293179899 552796484 /nfs/dbraw/zinc/79/64/84/552796484.db2.gz MWOKSDOQUXPMAR-ZIAGYGMSSA-N 1 0 362.499 2.191 20 30 FEEDRO C[NH+](C)CC[C@@H](NC(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1)C(C)(C)C ZINC000293206738 552798870 /nfs/dbraw/zinc/79/88/70/552798870.db2.gz ZQWKLGNZAHFDJW-IAGOWNOFSA-N 1 0 373.501 2.482 20 30 FEEDRO O=C(C[N@H+]1CCC[C@H](CO)CC1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000293258624 552804300 /nfs/dbraw/zinc/80/43/00/552804300.db2.gz UHCZABGDMVLPMD-INIZCTEOSA-N 1 0 368.399 2.268 20 30 FEEDRO N#Cc1ccc(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+]2CC2CCCCC2)nc1 ZINC000293415547 552821183 /nfs/dbraw/zinc/82/11/83/552821183.db2.gz NOLMLIFSVMUXFM-KRWDZBQOSA-N 1 0 369.469 2.053 20 30 FEEDRO N#Cc1ccc(NC(=O)C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)nc1 ZINC000294738297 552930499 /nfs/dbraw/zinc/93/04/99/552930499.db2.gz LCBDYHBWSAGVEV-UHFFFAOYSA-N 1 0 363.421 2.169 20 30 FEEDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1ccc(Br)cc1C#N ZINC000295087708 552957598 /nfs/dbraw/zinc/95/75/98/552957598.db2.gz XIBHMRGTUYKXHD-AWEZNQCLSA-N 1 0 368.275 2.407 20 30 FEEDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)Cc2ccc(F)cc2C#N)[C@H](C)C1 ZINC000295270241 552978982 /nfs/dbraw/zinc/97/89/82/552978982.db2.gz RZDFEJDKHXJOCD-DYVFJYSZSA-N 1 0 353.463 2.189 20 30 FEEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]C[C@@]2(O)CCS(=O)(=O)C2)cc1 ZINC000296233607 553126893 /nfs/dbraw/zinc/12/68/93/553126893.db2.gz CDVVLDJHTCYNCO-BBRMVZONSA-N 1 0 359.875 2.018 20 30 FEEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000296323627 553141416 /nfs/dbraw/zinc/14/14/16/553141416.db2.gz XNIKMPAZFQPMTK-MQVJKMGUSA-N 1 0 370.453 2.025 20 30 FEEDRO C#CC[N@@H+](C)CCCNC(=O)N[C@@H](C)c1nc(-c2ccccc2OC)no1 ZINC000296393013 553152362 /nfs/dbraw/zinc/15/23/62/553152362.db2.gz IKDQWUPMVBAPGO-AWEZNQCLSA-N 1 0 371.441 2.061 20 30 FEEDRO C#Cc1ccc(CNC(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)cc1 ZINC000296554195 553178693 /nfs/dbraw/zinc/17/86/93/553178693.db2.gz FSKBVKBSPVWWPC-NRFANRHFSA-N 1 0 363.461 2.234 20 30 FEEDRO N#Cc1ccc(OC(F)F)c(NC(=O)N[C@H]2CCC[N@@H+](CCCO)C2)c1 ZINC000296567981 553181019 /nfs/dbraw/zinc/18/10/19/553181019.db2.gz SRJWEIPIDKRWRY-ZDUSSCGKSA-N 1 0 368.384 2.128 20 30 FEEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000297971330 553364277 /nfs/dbraw/zinc/36/42/77/553364277.db2.gz YEVNOLGWXSRNJR-UHFFFAOYSA-N 1 0 369.918 2.469 20 30 FEEDRO CNC(=O)[C@@H]1CCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 ZINC000298032441 553374043 /nfs/dbraw/zinc/37/40/43/553374043.db2.gz FSZHWNREMIFJOF-WFASDCNBSA-N 1 0 374.510 2.284 20 30 FEEDRO C=CCN(CC=C)C(=O)[C@@H](C)[NH2+]C[C@@H](c1cccs1)N1CCOCC1 ZINC000298066230 553379604 /nfs/dbraw/zinc/37/96/04/553379604.db2.gz FINFYKVSHTXBSU-SJORKVTESA-N 1 0 363.527 2.300 20 30 FEEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCCN(C=O)CC3)sc2C1 ZINC000298141659 553389527 /nfs/dbraw/zinc/38/95/27/553389527.db2.gz LPWWYSMOYWEAJH-AWEZNQCLSA-N 1 0 374.510 2.237 20 30 FEEDRO C=CCN(Cc1ccccc1)C(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000298210279 553398426 /nfs/dbraw/zinc/39/84/26/553398426.db2.gz HBBXPKIPKJJKGV-LJQANCHMSA-N 1 0 355.482 2.146 20 30 FEEDRO Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NCC[NH+]1CCCCCC1 ZINC000298292048 553408819 /nfs/dbraw/zinc/40/88/19/553408819.db2.gz JCVHUYOQMUMAMH-UHFFFAOYSA-N 1 0 368.485 2.143 20 30 FEEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000298462651 553427517 /nfs/dbraw/zinc/42/75/17/553427517.db2.gz WNCUSUVWUFDZKZ-UHFFFAOYSA-N 1 0 370.497 2.240 20 30 FEEDRO COC(=O)[C@@H]1CCN(CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)C1 ZINC000298788166 553473077 /nfs/dbraw/zinc/47/30/77/553473077.db2.gz IWMHDBCDDLAEOY-CQSZACIVSA-N 1 0 363.845 2.390 20 30 FEEDRO C[C@@H](NC(=O)C1CCCC1)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000299023345 553504833 /nfs/dbraw/zinc/50/48/33/553504833.db2.gz NPNVISIKSMVROS-MRXNPFEDSA-N 1 0 370.497 2.143 20 30 FEEDRO C=CCN(CCc1ccccc1)C(=O)C(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000299192719 553528042 /nfs/dbraw/zinc/52/80/42/553528042.db2.gz SGPYVHAAKSHFGH-QFIPXVFZSA-N 1 0 369.509 2.188 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC[C@@H](CNC(C)=O)C1)C(C)C ZINC000299349750 553551470 /nfs/dbraw/zinc/55/14/70/553551470.db2.gz QGMJBUOONXBJRB-RBUKOAKNSA-N 1 0 364.534 2.243 20 30 FEEDRO C[C@@H](CN1CC[NH+](C)CC1)Nc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1 ZINC000301400232 553648744 /nfs/dbraw/zinc/64/87/44/553648744.db2.gz PQOYNPAKXKIRAD-ZDUSSCGKSA-N 1 0 354.414 2.062 20 30 FEEDRO COCCc1nsc(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000301607927 553665543 /nfs/dbraw/zinc/66/55/43/553665543.db2.gz ZRCNUQBZWOBHRR-UHFFFAOYSA-N 1 0 357.483 2.311 20 30 FEEDRO CCc1nnc(N2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)c(C#N)c1CC ZINC000301615801 553665932 /nfs/dbraw/zinc/66/59/32/553665932.db2.gz JGWOZMSNPSTTRU-IRXDYDNUSA-N 1 0 370.545 2.468 20 30 FEEDRO CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1nc2ccccn2c1C#N ZINC000302476265 553717848 /nfs/dbraw/zinc/71/78/48/553717848.db2.gz VKZDJOZYISRBOV-NRFANRHFSA-N 1 0 361.449 2.279 20 30 FEEDRO COc1ccc(NC(=[NH2+])NCc2ccnc(-n3ccnc3)c2)cc1OC ZINC000303980449 553747124 /nfs/dbraw/zinc/74/71/24/553747124.db2.gz OCGZNZGKNTVMIE-UHFFFAOYSA-N 1 0 352.398 2.211 20 30 FEEDRO [NH2+]=C(NCCCc1nnc2n1CCCCC2)N[C@H]1CCOc2ccccc21 ZINC000304480641 553747568 /nfs/dbraw/zinc/74/75/68/553747568.db2.gz IGBUEMUILMXMID-INIZCTEOSA-N 1 0 368.485 2.365 20 30 FEEDRO CC(C)[C@@H](C(=O)Nc1ccc(N2CC[NH+](C)CC2)cn1)N1CCCC1=O ZINC000328670003 553805296 /nfs/dbraw/zinc/80/52/96/553805296.db2.gz FMCVDHLVHJYHFM-SFHVURJKSA-N 1 0 359.474 2.068 20 30 FEEDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)NC[C@@H]2CCC3(CCOCC3)[C@H]2O)C1 ZINC000328692877 553808334 /nfs/dbraw/zinc/80/83/34/553808334.db2.gz JIFTZKCBXRGPRY-SQNIBIBYSA-N 1 0 367.534 2.178 20 30 FEEDRO CNC(=O)NC1CN(C(=O)NCc2ccccc2C[N@@H+]2CCC[C@H](C)C2)C1 ZINC000328698398 553808924 /nfs/dbraw/zinc/80/89/24/553808924.db2.gz LTJFBJBAXWBCGS-HNNXBMFYSA-N 1 0 373.501 2.150 20 30 FEEDRO CCC[C@@H]1CN(C(=O)N[C@H]2CCC(=O)NC23CCC3)CC[N@@H+]1CCOC ZINC000328698668 553809351 /nfs/dbraw/zinc/80/93/51/553809351.db2.gz LVVTZMJLEAMSFN-CVEARBPZSA-N 1 0 366.506 2.375 20 30 FEEDRO C[NH+]1CCC([C@@H]2CCN(C(=O)NC[C@@H]3COc4ccccc4O3)C2)CC1 ZINC000328767653 553819401 /nfs/dbraw/zinc/81/94/01/553819401.db2.gz HRVBTSAMUNZLOP-IAGOWNOFSA-N 1 0 359.470 2.404 20 30 FEEDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CCn2ncnc2C1 ZINC000328781397 553821352 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553868313 /nfs/dbraw/zinc/86/83/13/553868313.db2.gz BMCVCCICVNVQRY-UHFFFAOYSA-N 1 0 373.501 2.483 20 30 FEEDRO C[C@](O)(CC(=O)NC[C@@H]1CN(C(=O)c2ccccc2)[C@H]2CC[N@@H+]1C2)C1CC1 ZINC000329050250 553871372 /nfs/dbraw/zinc/87/13/72/553871372.db2.gz KOQIZSYDBYQHSD-UEXGIBASSA-N 1 0 371.481 2.093 20 30 FEEDRO CN(C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C)C(=O)N[C@@H]1CCSC1 ZINC000329060939 553873448 /nfs/dbraw/zinc/87/34/48/553873448.db2.gz NLVSDTNLYSPKKJ-SQWLQELKSA-N 1 0 351.520 2.154 20 30 FEEDRO Cn1ccnc1[C@H](NC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)C1CCOCC1 ZINC000329063961 553873742 /nfs/dbraw/zinc/87/37/42/553873742.db2.gz VNYPKIMNIAXRCD-IXDOHACOSA-N 1 0 361.490 2.018 20 30 FEEDRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CC[C@H]3[C@@H](C2)NC(=O)N3C)C1 ZINC000329074288 553875701 /nfs/dbraw/zinc/87/57/01/553875701.db2.gz BIZZLNFRYDDFMD-XHSDSOJGSA-N 1 0 365.522 2.103 20 30 FEEDRO CC(C)[C@H](C(=O)NCC1([NH+]2CCCC2)CCOCC1)N1CCCC1=O ZINC000329089194 553878635 /nfs/dbraw/zinc/87/86/35/553878635.db2.gz IILAOPNQGSMYSC-QGZVFWFLSA-N 1 0 351.491 2.235 20 30 FEEDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@@H]1[C@@H]1COCC[C@]1(C)O ZINC000329098803 553880151 /nfs/dbraw/zinc/88/01/51/553880151.db2.gz YWUYPQCOKVDUDV-RMJJICAUSA-N 1 0 367.534 2.273 20 30 FEEDRO CCCN(CC(=O)N[C@@H]1CCOc2ccccc21)[C@@H]1CCS(=O)(=O)C1 ZINC000329127829 553885317 /nfs/dbraw/zinc/88/53/17/553885317.db2.gz UZYXHUVEYRXAHQ-GDBMZVCRSA-N 1 0 366.483 2.366 20 30 FEEDRO CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)N[C@H]2CCC(=O)NC23CCC3)C1 ZINC000329153067 553889997 /nfs/dbraw/zinc/88/99/97/553889997.db2.gz AYCKQJDFXYEBCL-JYJNAYRXSA-N 1 0 364.490 2.127 20 30 FEEDRO Cc1cccc(O[C@H](C)C(=O)NC2CC[NH+]([C@H]3CCN(C)C3=O)CC2)c1 ZINC000329159679 553892431 /nfs/dbraw/zinc/89/24/31/553892431.db2.gz DVZHHOQIJLQVNE-QAPCUYQASA-N 1 0 359.470 2.414 20 30 FEEDRO CO[C@@H]1CCC[C@@H]1[C@@H]1COCCN1C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000329168790 553893862 /nfs/dbraw/zinc/89/38/62/553893862.db2.gz IXDGAZBFNOLHPY-AKHDSKFASA-N 1 0 365.518 2.433 20 30 FEEDRO CC(=O)N1CCC[C@@H](C(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2ccnn2C)C1 ZINC000329173554 553895826 /nfs/dbraw/zinc/89/58/26/553895826.db2.gz KXCVWMLQRFFJEX-LZLYRXPVSA-N 1 0 361.490 2.018 20 30 FEEDRO O=C(Nc1ccc(F)cc1)N[C@@H]1CC[N@H+](CCN2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000329215967 553904277 /nfs/dbraw/zinc/90/42/77/553904277.db2.gz NQTSQJMPEYMNSV-KURKYZTESA-N 1 0 362.449 2.089 20 30 FEEDRO C[NH+](C)C1(CNC(=O)N2CC[C@@H](C(=O)N3CCCC3)C2)CCCCC1 ZINC000329220097 553905279 /nfs/dbraw/zinc/90/52/79/553905279.db2.gz SWECTVUGJSTTRW-MRXNPFEDSA-N 1 0 350.507 2.109 20 30 FEEDRO O=C(NCC1(C[NH+]2CCOCC2)CCCCC1)N[C@@H]1CCCCC[C@H]1O ZINC000329263833 553913795 /nfs/dbraw/zinc/91/37/95/553913795.db2.gz DODAXXSVOUVYHE-QZTJIDSGSA-N 1 0 367.534 2.466 20 30 FEEDRO O=C(NCCc1nnc2n1CCCCC2)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000329283379 553916972 /nfs/dbraw/zinc/91/69/72/553916972.db2.gz LDOKPHVJXKORLJ-MRXNPFEDSA-N 1 0 360.506 2.021 20 30 FEEDRO C[NH+](C)Cc1ccc(CNC(=O)N2CCOC[C@@H]2[C@@H]2CCCO2)cc1F ZINC000329299169 553920198 /nfs/dbraw/zinc/92/01/98/553920198.db2.gz USKHUHOKPKRKLN-MSOLQXFVSA-N 1 0 365.449 2.181 20 30 FEEDRO CC(C)[NH+]1CCC(C(=O)N[C@@H]2CCCN(S(=O)(=O)C3CC3)C2)CC1 ZINC000329303402 553920889 /nfs/dbraw/zinc/92/08/89/553920889.db2.gz WUQYQWZBIVHFLG-OAHLLOKOSA-N 1 0 357.520 2.020 20 30 FEEDRO N#Cc1ccc(N2CCC[C@H](NC(=O)N[C@H]3CC[N@@H+](C4CC4)C3)C2)c(F)c1 ZINC000329307648 553922868 /nfs/dbraw/zinc/92/28/68/553922868.db2.gz PTOYSHXUCVRZAK-HOTGVXAUSA-N 1 0 371.460 2.406 20 30 FEEDRO Cc1noc(C)c1CN1C[C@@H](F)C[C@H]1CNC(=O)C1(C(=O)N(C)C)CC1 ZINC000329342890 553928885 /nfs/dbraw/zinc/92/88/85/553928885.db2.gz PTKDYTQJFXYCFZ-KBPBESRZSA-N 1 0 366.437 2.029 20 30 FEEDRO CC[C@@H]1CN(C(=O)Nc2cccc3c2OCCC3=O)C[C@@H]1N1CCOCC1 ZINC000329355579 553930894 /nfs/dbraw/zinc/93/08/94/553930894.db2.gz VUHRNGMWACADDK-PBHICJAKSA-N 1 0 373.453 2.240 20 30 FEEDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NCc1ccc(S(C)(=O)=O)s1 ZINC000329390836 553937282 /nfs/dbraw/zinc/93/72/82/553937282.db2.gz SMAPGMAKZFYYES-TZMCWYRMSA-N 1 0 371.528 2.124 20 30 FEEDRO CCC[N@@H+]1CC[C@H](CNC(=O)N2CCC[C@](O)(C(F)(F)F)CC2)C1 ZINC000329493694 553957201 /nfs/dbraw/zinc/95/72/01/553957201.db2.gz WQCUGCCFNZNXEK-UKRRQHHQSA-N 1 0 351.413 2.412 20 30 FEEDRO Cc1nc(CCNC(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)cs1 ZINC000329510453 553959883 /nfs/dbraw/zinc/95/98/83/553959883.db2.gz BSPMZYRGPDTDPA-IAGOWNOFSA-N 1 0 366.531 2.266 20 30 FEEDRO COCCn1cc2c(n1)[C@H](NC(=O)N1CC[N@H+](C)C[C@H]1C(C)C)CCC2 ZINC000329510721 553960065 /nfs/dbraw/zinc/96/00/65/553960065.db2.gz KFCPXORKRYTUMM-SJORKVTESA-N 1 0 363.506 2.093 20 30 FEEDRO O=C(NCC1([NH+]2CCSCC2)CCCC1)N1CCC[C@H]2C(=O)NC[C@H]21 ZINC000329514318 553960710 /nfs/dbraw/zinc/96/07/10/553960710.db2.gz YEJIVUOKEMWSKI-HUUCEWRRSA-N 1 0 366.531 2.313 20 30 FEEDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCC[C@@H]2[C@@H]2COCC[C@H]2O)C1 ZINC000329518383 553961139 /nfs/dbraw/zinc/96/11/39/553961139.db2.gz ZJVQAGXQZMHOMK-XMTFNYHQSA-N 1 0 367.534 2.273 20 30 FEEDRO CCO[C@@H]1C[C@H](NC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)[C@@]12CCCO2 ZINC000329551543 553966279 /nfs/dbraw/zinc/96/62/79/553966279.db2.gz FXCFBQZTXPGRSM-ILYVXUQDSA-N 1 0 351.491 2.043 20 30 FEEDRO CC[C@H](C)[NH2+][C@H](CNC(=O)C(=O)Nc1cccc(C#N)c1)c1ccco1 ZINC000506956160 561712628 /nfs/dbraw/zinc/71/26/28/561712628.db2.gz VKPYZNJMIYSURD-XJKSGUPXSA-N 1 0 354.410 2.335 20 30 FEEDRO Cn1cnc2c(c1=O)CCN(CC(=O)NC13CC4CC(CC(C4)C1)C3)C2 ZINC000329676242 553986589 /nfs/dbraw/zinc/98/65/89/553986589.db2.gz WBJZYLSVZZTKEW-UHFFFAOYSA-N 1 0 356.470 2.064 20 30 FEEDRO CC(=O)N1CCN(C(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)[C@@H](C)C1 ZINC000329694995 553990790 /nfs/dbraw/zinc/99/07/90/553990790.db2.gz CWWDJHSWCBOMLF-ZMSDIMECSA-N 1 0 350.507 2.106 20 30 FEEDRO CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H](C(=O)N3CCCC3)C2)CC1 ZINC000329734922 553997146 /nfs/dbraw/zinc/99/71/46/553997146.db2.gz RRYCDIBSNODLFW-KRWDZBQOSA-N 1 0 364.534 2.150 20 30 FEEDRO C[C@@H]1OCC[C@@]1(C)NC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000329751274 553999604 /nfs/dbraw/zinc/99/96/04/553999604.db2.gz ISYXXIASQIPFSN-FUHWJXTLSA-N 1 0 353.507 2.340 20 30 FEEDRO C[C@H](CCNC(=O)N1CCO[C@](C)(c2cnn(C)c2)C1)[NH+]1CCCCC1 ZINC000329759182 554001113 /nfs/dbraw/zinc/00/11/13/554001113.db2.gz ONMRAIWQJGHKDR-APWZRJJASA-N 1 0 363.506 2.146 20 30 FEEDRO C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CC1=O ZINC000329769932 554002870 /nfs/dbraw/zinc/00/28/70/554002870.db2.gz IGUXQNYHNKUIHZ-YRGVVPAESA-N 1 0 370.497 2.162 20 30 FEEDRO O=C(Nc1cccc(C[NH2+]C2CCS(=O)(=O)CC2)c1)[C@H]1CCCO1 ZINC000329800722 554008663 /nfs/dbraw/zinc/00/86/63/554008663.db2.gz IQJNDBGAWOGUTR-MRXNPFEDSA-N 1 0 352.456 2.120 20 30 FEEDRO CC(C)C(=O)N1CCC(NC(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)CC1 ZINC000329808109 554009661 /nfs/dbraw/zinc/00/96/61/554009661.db2.gz BORVYBOUBHGNSN-HNNXBMFYSA-N 1 0 352.523 2.210 20 30 FEEDRO CCC[NH+]1CCC(NC(=O)N(C)[C@H]2CCCN(c3cccnn3)C2)CC1 ZINC000329818774 554011710 /nfs/dbraw/zinc/01/17/10/554011710.db2.gz 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COC[C@H](NC(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C)c1ccc(F)cc1 ZINC000331223543 554233132 /nfs/dbraw/zinc/23/31/32/554233132.db2.gz LTALWSYGJUFZTA-PBHICJAKSA-N 1 0 367.465 2.204 20 30 FEEDRO C=CCn1c(-c2ccc[nH]2)nnc1N1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000508747064 561771470 /nfs/dbraw/zinc/77/14/70/561771470.db2.gz MYNWWYJUJKFIIP-HNNXBMFYSA-N 1 0 356.474 2.149 20 30 FEEDRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NCCc1cccc(F)c1F ZINC000331238888 554234899 /nfs/dbraw/zinc/23/48/99/554234899.db2.gz VZPLNEPHLDPOPX-CYBMUJFWSA-N 1 0 355.429 2.198 20 30 FEEDRO CC(=O)NC[C@@H]1CCCN(C(=O)NC[C@@H]2CCCC[N@H+]2CC(C)C)C1 ZINC000331272739 554239425 /nfs/dbraw/zinc/23/94/25/554239425.db2.gz AOJMNPDKDOVINF-ROUUACIJSA-N 1 0 352.523 2.259 20 30 FEEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccccc2S(C)(=O)=O)C[C@H]1C ZINC000331274621 554240098 /nfs/dbraw/zinc/24/00/98/554240098.db2.gz HXJJUJXNLPWFJP-KGLIPLIRSA-N 1 0 353.488 2.440 20 30 FEEDRO COc1cc(OC)c(NC(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)cc1F ZINC000331287337 554241583 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C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)CC(=O)NCc1ccc(C#N)cc1 ZINC000362997245 555006453 /nfs/dbraw/zinc/00/64/53/555006453.db2.gz JZTWSABDKQWGCE-MRXNPFEDSA-N 1 0 374.448 2.448 20 30 FEEDRO N#Cc1ccc(NC(=O)CCN2CCC[N@@H+](C3CCOCC3)CC2)cc1 ZINC000363183543 555048075 /nfs/dbraw/zinc/04/80/75/555048075.db2.gz ZCWZMMNNPBWVQH-UHFFFAOYSA-N 1 0 356.470 2.074 20 30 FEEDRO N#Cc1ccccc1NC(=O)CC[NH+]1CCC(NC(=O)c2ccc[nH]2)CC1 ZINC000363206525 555053425 /nfs/dbraw/zinc/05/34/25/555053425.db2.gz LERMNKPAWMVGRI-UHFFFAOYSA-N 1 0 365.437 2.109 20 30 FEEDRO Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N[C@H](C)C[NH+]3CCCCC3)C2)n1 ZINC000363426171 555102915 /nfs/dbraw/zinc/10/29/15/555102915.db2.gz LHBCOWBWPUVEMF-MJGOQNOKSA-N 1 0 369.513 2.469 20 30 FEEDRO C=C(C)COc1cccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000363457118 555110562 /nfs/dbraw/zinc/11/05/62/555110562.db2.gz INUGJBVCCUPUGB-SJORKVTESA-N 1 0 357.454 2.323 20 30 FEEDRO C[C@H]1C[C@H](N(C)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CC[N@@H+]1C ZINC000363716433 555170566 /nfs/dbraw/zinc/17/05/66/555170566.db2.gz RPILFCVJTAAFNF-DZGCQCFKSA-N 1 0 370.432 2.829 20 30 FEEDRO CCCC[C@@H](ON=C(C)C)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000363870998 555203132 /nfs/dbraw/zinc/20/31/32/555203132.db2.gz YYOGLUWFZBVQIR-QZTJIDSGSA-N 1 0 352.523 2.196 20 30 FEEDRO C=CCOc1ccc(C[N@H+]2CC[C@H](n3cc(C(=O)OC)nn3)C2)cc1OC ZINC000363904689 555210492 /nfs/dbraw/zinc/21/04/92/555210492.db2.gz AIWCFYSLZWNRMX-HNNXBMFYSA-N 1 0 372.425 2.085 20 30 FEEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(-n2ccnc2C)c(F)c1 ZINC000364147207 555258778 /nfs/dbraw/zinc/25/87/78/555258778.db2.gz TXMSEDGKILSLHI-OLZOCXBDSA-N 1 0 373.432 2.371 20 30 FEEDRO CCN1CC[NH+](CCCCNC(=O)C2(c3cc(F)cc(C#N)c3)CC2)CC1 ZINC000512311136 561899798 /nfs/dbraw/zinc/89/97/98/561899798.db2.gz WGVNRJGBKZOXQE-UHFFFAOYSA-N 1 0 372.488 2.263 20 30 FEEDRO C[C@H]([NH2+][C@H]1CCCN(c2ccccc2C#N)C1)C1CCS(=O)(=O)CC1 ZINC000364467097 555319186 /nfs/dbraw/zinc/31/91/86/555319186.db2.gz NFTOMXKTUGSMNJ-YJBOKZPZSA-N 1 0 361.511 2.330 20 30 FEEDRO C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1NC(=O)c1ccccc1OCC#N ZINC000364567249 555340522 /nfs/dbraw/zinc/34/05/22/555340522.db2.gz ZDODKZJDXZUHIH-NUJGCVRESA-N 1 0 357.454 2.208 20 30 FEEDRO CN(C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000364570475 555341495 /nfs/dbraw/zinc/34/14/95/555341495.db2.gz PVRVOFSBHRGPFA-HKUYNNGSSA-N 1 0 370.478 2.267 20 30 FEEDRO C=CCc1ccccc1OC[C@H](O)CN1C[C@H](C)[S@](=O)[C@@H](CC)C1 ZINC000512438160 561904937 /nfs/dbraw/zinc/90/49/37/561904937.db2.gz APJMYLMBKHSUPD-DAKPEJIASA-N 1 0 351.512 2.386 20 30 FEEDRO C=CCN(C(=O)c1cncc(OC)n1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000365094182 555483936 /nfs/dbraw/zinc/48/39/36/555483936.db2.gz NCPVUYGOJDVVRQ-QGZVFWFLSA-N 1 0 352.438 2.388 20 30 FEEDRO CN(CCC#N)C(=O)CC[N@@H+]1CC[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1 ZINC000365222025 555514753 /nfs/dbraw/zinc/51/47/53/555514753.db2.gz JQICTYHTJAYSKC-HOTGVXAUSA-N 1 0 364.490 2.080 20 30 FEEDRO Cc1cc(NC(=O)N2CCC[C@H]([NH+](C)C)CC2)nn1-c1cccc(C#N)c1 ZINC000365280457 555530897 /nfs/dbraw/zinc/53/08/97/555530897.db2.gz AEEWUXARTWCMSR-KRWDZBQOSA-N 1 0 366.469 3.000 20 30 FEEDRO CC(C)(CCC#N)CNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000513112934 561925882 /nfs/dbraw/zinc/92/58/82/561925882.db2.gz HMNCFNBFBVRWLY-RBUKOAKNSA-N 1 0 372.513 2.499 20 30 FEEDRO C[C@@H](C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1)N1CCSCC1 ZINC000365391355 555561780 /nfs/dbraw/zinc/56/17/80/555561780.db2.gz FFRNWNYLLCXLPW-KRWDZBQOSA-N 1 0 372.538 2.098 20 30 FEEDRO N#Cc1c(F)ccc(C[NH2+][C@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)c1Cl ZINC000365482049 555587253 /nfs/dbraw/zinc/58/72/53/555587253.db2.gz UHGHVBWJUABDGW-LRDDRELGSA-N 1 0 372.849 2.177 20 30 FEEDRO N#Cc1cc(NC(=O)C(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)ccc1Cl ZINC000365543267 555604557 /nfs/dbraw/zinc/60/45/57/555604557.db2.gz BNMNGHXMYPZUSO-YSVLISHTSA-N 1 0 372.856 2.093 20 30 FEEDRO Cc1oc(NC(=O)[C@H](C)[NH2+][C@@H]2CCCC[C@H]2N2CCOCC2)c(C#N)c1C ZINC000365597952 555619096 /nfs/dbraw/zinc/61/90/96/555619096.db2.gz JJIBKGWLOXDMLY-BMGDILEWSA-N 1 0 374.485 2.328 20 30 FEEDRO CC(C)Cc1ccc([C@H](CNC(=O)N2CCO[C@@H](C#N)C2)[NH+](C)C)cc1 ZINC000513382251 561936227 /nfs/dbraw/zinc/93/62/27/561936227.db2.gz DVMAMPSZFARZCU-OALUTQOASA-N 1 0 358.486 2.422 20 30 FEEDRO CC(C)Cc1ccc([C@@H](CNC(=O)N2CCO[C@H](C#N)C2)[NH+](C)C)cc1 ZINC000513382253 561936316 /nfs/dbraw/zinc/93/63/16/561936316.db2.gz DVMAMPSZFARZCU-RTBURBONSA-N 1 0 358.486 2.422 20 30 FEEDRO CCOC(=O)CCCCC[N@@H+]1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000513659953 561946212 /nfs/dbraw/zinc/94/62/12/561946212.db2.gz IKYYROWTLMWCIR-MGPUTAFESA-N 1 0 355.438 2.455 20 30 FEEDRO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@H](NC(=O)C(C)C)C1 ZINC000513821411 561951435 /nfs/dbraw/zinc/95/14/35/561951435.db2.gz IKWGGLVCENYCOL-OALUTQOASA-N 1 0 360.498 2.391 20 30 FEEDRO N#Cc1ccc(C[C@@H](C#N)C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC000366206866 555782184 /nfs/dbraw/zinc/78/21/84/555782184.db2.gz ZIKCVVQQFXTQOO-FNAHDJPLSA-N 1 0 370.456 2.487 20 30 FEEDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)CSc1ccc(C#N)cc1 ZINC000366437865 555843517 /nfs/dbraw/zinc/84/35/17/555843517.db2.gz LUSSENYOPLNUQP-KBAYOESNSA-N 1 0 359.495 2.360 20 30 FEEDRO CS(=O)(=O)CC[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccccc1C#N ZINC000366438662 555843912 /nfs/dbraw/zinc/84/39/12/555843912.db2.gz LXBBIRTVTNYWDX-MRXNPFEDSA-N 1 0 363.483 2.176 20 30 FEEDRO CCN(CCC#N)C(=O)C[N@@H+]1CC[C@H]2[C@@H](CCN2C(=O)OC(C)(C)C)C1 ZINC000366536160 555870866 /nfs/dbraw/zinc/87/08/66/555870866.db2.gz QSXTZHGNEJVCEG-HOTGVXAUSA-N 1 0 364.490 2.080 20 30 FEEDRO CN1CCC([NH+]2CCC(CCNC(=O)NCC3(CC#N)CC3)CC2)CC1 ZINC000366835750 555947020 /nfs/dbraw/zinc/94/70/20/555947020.db2.gz WXAZOVJTKSTIMC-UHFFFAOYSA-N 1 0 361.534 2.176 20 30 FEEDRO C[C@H]1CN(c2nc3cc(Cl)ccn3c2C#N)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000367436889 556048493 /nfs/dbraw/zinc/04/84/93/556048493.db2.gz TVVGIJAWFBRXHI-HOCLYGCPSA-N 1 0 372.904 2.322 20 30 FEEDRO C=CCCC[C@@H](C)NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000367788134 556139501 /nfs/dbraw/zinc/13/95/01/556139501.db2.gz WCPUZLMAVPQACT-MGNMYUMUSA-N 1 0 350.507 2.114 20 30 FEEDRO N#Cc1ccccc1N1CCC(C[NH2+][C@@H](Cc2ccccc2)C(N)=O)CC1 ZINC000368285085 556268074 /nfs/dbraw/zinc/26/80/74/556268074.db2.gz SIVQIVSDCCFLLM-FQEVSTJZSA-N 1 0 362.477 2.461 20 30 FEEDRO COc1ccc(C(=O)N2CCN([C@H]3CC[C@H](C#N)C3)CC2)c(OC)c1OC ZINC000515314822 562004809 /nfs/dbraw/zinc/00/48/09/562004809.db2.gz PTJYXDNUDVWRPV-GJZGRUSLSA-N 1 0 373.453 2.162 20 30 FEEDRO N#Cc1cc(NC[C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)cc(N)c1[N+](=O)[O-] ZINC000368547144 556341791 /nfs/dbraw/zinc/34/17/91/556341791.db2.gz ZYXZAMLETIILLY-DLBZAZTESA-N 1 0 367.409 2.096 20 30 FEEDRO N#CC[C@@H]1C[C@H]2[C@@H](CCC[C@H]2[NH2+]C[C@H](N2CCOCC2)C(F)(F)F)O1 ZINC000368617889 556364377 /nfs/dbraw/zinc/36/43/77/556364377.db2.gz YPBIONSYVCSOPD-QCODTGAPSA-N 1 0 361.408 2.079 20 30 FEEDRO CN(CCC#N)C[C@@H](O)C[NH2+][C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 ZINC000515468147 562011570 /nfs/dbraw/zinc/01/15/70/562011570.db2.gz KHWKFKAJWDZAPW-ZFWWWQNUSA-N 1 0 371.312 2.368 20 30 FEEDRO CN1CC[NH+](CC2(C)CCN(C(=O)/C=C/c3cccc(C#N)c3)CC2)CC1 ZINC000368821024 556422318 /nfs/dbraw/zinc/42/23/18/556422318.db2.gz ADYRWRYPUDHPFS-VOTSOKGWSA-N 1 0 366.509 2.448 20 30 FEEDRO N#CCCN(CCC#N)C(=O)C[N@H+]1CC[C@@H](Cc2ccc(F)c(F)c2)C1 ZINC000368822728 556423092 /nfs/dbraw/zinc/42/30/92/556423092.db2.gz GAOFPRRMTBYYKG-INIZCTEOSA-N 1 0 360.408 2.485 20 30 FEEDRO Cn1cccc1C(=O)NC1CC[NH+](CCOc2ccccc2C#N)CC1 ZINC000368858356 556430940 /nfs/dbraw/zinc/43/09/40/556430940.db2.gz FUDAGUFWDZVZCL-UHFFFAOYSA-N 1 0 352.438 2.170 20 30 FEEDRO N#CCC1(CS(=O)(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)CC1 ZINC000515708393 562019898 /nfs/dbraw/zinc/01/98/98/562019898.db2.gz JDNZQVUTQKKFQH-AWEZNQCLSA-N 1 0 353.513 2.498 20 30 FEEDRO C=CCN(C(=O)Cn1ccccc1=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000369080504 556499514 /nfs/dbraw/zinc/49/95/14/556499514.db2.gz FZOFEPWGZMIOPB-LJQANCHMSA-N 1 0 351.450 2.137 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCCN(C(=O)CCC)CC2)CC1 ZINC000369085289 556501078 /nfs/dbraw/zinc/50/10/78/556501078.db2.gz RVHXQDZTBSZRGW-UHFFFAOYSA-N 1 0 350.507 2.071 20 30 FEEDRO N#Cc1ccc(OCC(=O)NC[C@H]2CCC[N@H+](Cc3cccnc3)C2)cc1 ZINC000369165018 556523076 /nfs/dbraw/zinc/52/30/76/556523076.db2.gz RQMCNWMDECHBSH-LJQANCHMSA-N 1 0 364.449 2.360 20 30 FEEDRO COc1ccc([C@H](C[NH2+]Cc2nc(C#N)cs2)N2CCOCC2)cc1 ZINC000516037363 562028585 /nfs/dbraw/zinc/02/85/85/562028585.db2.gz JJTNUIRRGUZBDH-KRWDZBQOSA-N 1 0 358.467 2.186 20 30 FEEDRO CCn1nccc1C1CCN(CCS(=O)(=O)c2cccc(C#N)c2)CC1 ZINC000369295419 556567045 /nfs/dbraw/zinc/56/70/45/556567045.db2.gz WETMERKIJFERLE-UHFFFAOYSA-N 1 0 372.494 2.428 20 30 FEEDRO C=CCN(C(=O)c1cccn(C)c1=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000369308572 556570747 /nfs/dbraw/zinc/57/07/47/556570747.db2.gz ULJZKHYWTUCXGL-SFHVURJKSA-N 1 0 351.450 2.288 20 30 FEEDRO C[C@@H](Oc1ccccc1C#N)C(=O)Nc1c[nH+]ccc1N1CCN(C)CC1 ZINC000516207622 562036192 /nfs/dbraw/zinc/03/61/92/562036192.db2.gz HCGSDSUCOKUXKW-OAHLLOKOSA-N 1 0 365.437 2.111 20 30 FEEDRO C=CCN(CCc1ccco1)C(=O)N=c1ccn(C2CC[NH+](C)CC2)[nH]1 ZINC000369690742 556669677 /nfs/dbraw/zinc/66/96/77/556669677.db2.gz FBPJYMRBJISPID-UHFFFAOYSA-N 1 0 357.458 3.005 20 30 FEEDRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)NCC2CCC(C#N)CC2)CC1 ZINC000370151839 556795552 /nfs/dbraw/zinc/79/55/52/556795552.db2.gz REGOBKFRLFDKKN-CTWPCTMYSA-N 1 0 361.534 2.128 20 30 FEEDRO Cc1sc(NC(=O)CN2CC[NH+]([C@H]3CCSC3)CC2)c(C#N)c1C ZINC000370406586 556862961 /nfs/dbraw/zinc/86/29/61/556862961.db2.gz OAJMCLOZFPJJLY-AWEZNQCLSA-N 1 0 364.540 2.298 20 30 FEEDRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2C(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000370410801 556865230 /nfs/dbraw/zinc/86/52/30/556865230.db2.gz RWICBZKEYWLNDZ-QYZOEREBSA-N 1 0 353.466 2.300 20 30 FEEDRO N#Cc1ccc(Cl)c(S(=O)(=O)N2C[C@@H]3[C@H]4CCCC[N@H+]4C[C@H]3C2)c1 ZINC000370440286 556873666 /nfs/dbraw/zinc/87/36/66/556873666.db2.gz WVDVRRNAKLHDSX-OFQRWUPVSA-N 1 0 365.886 2.316 20 30 FEEDRO CCOC(=O)c1cccc(OC[C@@H](O)C[NH2+]Cc2ccc(C#N)c(F)c2)c1 ZINC000516965571 562068142 /nfs/dbraw/zinc/06/81/42/562068142.db2.gz BTGIEGPLHOJCDF-KRWDZBQOSA-N 1 0 372.396 2.404 20 30 FEEDRO N#Cc1ccc(CSCC(=O)NC[C@H]2CCC[C@H]2[NH+]2CCOCC2)cc1 ZINC000370772401 556963329 /nfs/dbraw/zinc/96/33/29/556963329.db2.gz KEOFYJJKQLHPFP-RTBURBONSA-N 1 0 373.522 2.409 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H]2CCN(C(C)=O)c3ccccc32)CC1 ZINC000371088646 557071414 /nfs/dbraw/zinc/07/14/14/557071414.db2.gz QZJHXEBACFNXFD-GOSISDBHSA-N 1 0 356.470 2.434 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)CCc2nc3ccccc3oc2=O)CC1 ZINC000517304074 562084688 /nfs/dbraw/zinc/08/46/88/562084688.db2.gz CEUJTJRVCDXLGK-UHFFFAOYSA-N 1 0 355.438 2.277 20 30 FEEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)CNC(=O)CC1CCCC1 ZINC000517566115 562092598 /nfs/dbraw/zinc/09/25/98/562092598.db2.gz PNDOLHSZBBHHJO-UHFFFAOYSA-N 1 0 370.497 2.145 20 30 FEEDRO N#C[C@H](c1cccs1)N1CCN(C(=O)C[N@@H+]2CC[C@@H](C3CC3)C2)CC1 ZINC000371474074 557192338 /nfs/dbraw/zinc/19/23/38/557192338.db2.gz VSZWSIJBMPRSQP-IAGOWNOFSA-N 1 0 358.511 2.189 20 30 FEEDRO C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1c[nH+]ccc1N1CCN(C)CC1 ZINC000517651103 562094713 /nfs/dbraw/zinc/09/47/13/562094713.db2.gz VZQMALYITWYZQA-HNNXBMFYSA-N 1 0 365.437 2.111 20 30 FEEDRO N#Cc1ccc(OCCNC(=O)N2CCc3ccccc3[C@@H]2C[NH3+])cc1 ZINC000517738254 562096767 /nfs/dbraw/zinc/09/67/67/562096767.db2.gz IAUAYFKCGHDNST-IBGZPJMESA-N 1 0 350.422 2.205 20 30 FEEDRO C[C@@H]1C[C@H](CCNC2=[NH+]C[C@H]3CN(C(=O)OC(C)(C)C)CCN23)CCO1 ZINC000371714904 557272584 /nfs/dbraw/zinc/27/25/84/557272584.db2.gz IFJKEUJDQRPMOE-OAGGEKHMSA-N 1 0 366.506 2.072 20 30 FEEDRO N#Cc1cc(NC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCCC3)C2)ccc1F ZINC000371872886 557316256 /nfs/dbraw/zinc/31/62/56/557316256.db2.gz OXSURGZGHDCOSN-MRXNPFEDSA-N 1 0 358.417 2.113 20 30 FEEDRO CN(C1CCN(c2cc[nH+]cc2)CC1)S(=O)(=O)c1ccccc1C#N ZINC000372164679 557397126 /nfs/dbraw/zinc/39/71/26/557397126.db2.gz XDDVRIWSDPFARZ-UHFFFAOYSA-N 1 0 356.451 2.243 20 30 FEEDRO Cc1ncc(S(=O)(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1C#N ZINC000518871988 562120026 /nfs/dbraw/zinc/12/00/26/562120026.db2.gz BVEBSUIICGFMTK-GJZGRUSLSA-N 1 0 362.499 2.193 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)CSc1nccn1C(C)(C)C ZINC000519142557 562125634 /nfs/dbraw/zinc/12/56/34/562125634.db2.gz XXAFCLKAVLGNBH-UHFFFAOYSA-N 1 0 351.520 2.424 20 30 FEEDRO Cc1cc(NC(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)nn1-c1cccc(C#N)c1 ZINC000372373118 557453366 /nfs/dbraw/zinc/45/33/66/557453366.db2.gz BLXBOIHOKCYKAW-CRAIPNDOSA-N 1 0 364.453 2.753 20 30 FEEDRO C=CCC[C@H](C(=O)N1CCC(O)(C[NH+]2CCOCC2)CC1)c1ccccc1 ZINC000372506677 557488469 /nfs/dbraw/zinc/48/84/69/557488469.db2.gz WFBMOPCXSNGACA-FQEVSTJZSA-N 1 0 372.509 2.422 20 30 FEEDRO Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3C[C@H]4CCCCCC[C@@H]43)CC2)o1 ZINC000372585781 557513263 /nfs/dbraw/zinc/51/32/63/557513263.db2.gz JVGFXTKFGRXRBD-AEFFLSMTSA-N 1 0 371.485 2.158 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N2C[C@H]3CCC[C@@]3(c3nc(C(C)C)no3)C2)CC1 ZINC000372687259 557538163 /nfs/dbraw/zinc/53/81/63/557538163.db2.gz RPDVLAJONFADIA-DYESRHJHSA-N 1 0 370.497 2.418 20 30 FEEDRO N#Cc1ccsc1NC(=O)CC[NH2+][C@H]1CCCC[C@H]1N1CCOCC1 ZINC000373073045 557621805 /nfs/dbraw/zinc/62/18/05/557621805.db2.gz AQDPYBNRHFJKOG-JKSUJKDBSA-N 1 0 362.499 2.181 20 30 FEEDRO C=C(C)[C@H]1OCC[C@H]1C(=O)NC1CC[NH+](CC2(O)CCCCC2)CC1 ZINC000373324973 557672655 /nfs/dbraw/zinc/67/26/55/557672655.db2.gz RNLFOYFGRMZIEF-QZTJIDSGSA-N 1 0 350.503 2.243 20 30 FEEDRO Cn1cc(C#N)cc1C(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000373433201 557692151 /nfs/dbraw/zinc/69/21/51/557692151.db2.gz XYDYOVCINANEJH-UHFFFAOYSA-N 1 0 354.376 2.432 20 30 FEEDRO N#Cc1cccc(NC(=O)C(=O)N2CCC[C@@H]([NH2+]Cc3ccccc3)C2)c1 ZINC000373652233 557732078 /nfs/dbraw/zinc/73/20/78/557732078.db2.gz ICEHEGBBRIPNLS-LJQANCHMSA-N 1 0 362.433 2.278 20 30 FEEDRO Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCCC[C@H]1C[NH+](C)C ZINC000520496541 562157616 /nfs/dbraw/zinc/15/76/16/562157616.db2.gz RULUWSQMWLVWKS-KRWDZBQOSA-N 1 0 368.485 2.093 20 30 FEEDRO C=CCOc1cccc(NC(=O)C(=O)N(C)Cc2cn3c(n2)CCCC3)c1 ZINC000373796752 557760825 /nfs/dbraw/zinc/76/08/25/557760825.db2.gz XATFSQPHKBDOOX-UHFFFAOYSA-N 1 0 368.437 2.381 20 30 FEEDRO C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CC(C)(C)O[C@]2(CCCOC2)C1 ZINC000373797039 557760974 /nfs/dbraw/zinc/76/09/74/557760974.db2.gz MJFHVMDWIIBDPV-OXJNMPFZSA-N 1 0 363.502 2.378 20 30 FEEDRO C[C@H]1CN(CC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@]2(CCCOC2)O1 ZINC000373811438 557764287 /nfs/dbraw/zinc/76/42/87/557764287.db2.gz MCZZYISQJAZFCU-UGSOOPFHSA-N 1 0 363.845 2.420 20 30 FEEDRO CN1CCC(CNc2ncc([N+](=O)[O-])cc2C#N)([NH+]2CCCCC2)CC1 ZINC000374168446 557835602 /nfs/dbraw/zinc/83/56/02/557835602.db2.gz XBDPPHVRKVSFQJ-UHFFFAOYSA-N 1 0 358.446 2.224 20 30 FEEDRO COc1cc(CN2CCCN(C(=O)c3ccccn3)CC2)ccc1C#N ZINC000374203945 557843037 /nfs/dbraw/zinc/84/30/37/557843037.db2.gz HKVBJVLDBKLIRJ-UHFFFAOYSA-N 1 0 350.422 2.310 20 30 FEEDRO CCc1nc(CN2C[C@H]3C[NH+](Cc4ccc(C#N)c(OC)c4)C[C@@H]3C2)no1 ZINC000374204217 557843130 /nfs/dbraw/zinc/84/31/30/557843130.db2.gz IEPNRGFNRUSKBZ-IAGOWNOFSA-N 1 0 367.453 2.076 20 30 FEEDRO COc1ccc(C[NH2+][C@@H]2CCN(c3cnn(C)c3)C2)cc1OCCCC#N ZINC000374246843 557850079 /nfs/dbraw/zinc/85/00/79/557850079.db2.gz BTWQYWMWGNAXKN-QGZVFWFLSA-N 1 0 369.469 2.480 20 30 FEEDRO C=CCOc1ccccc1C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000374284532 557857969 /nfs/dbraw/zinc/85/79/69/557857969.db2.gz AFKOZQBQUHCSJI-MJGOQNOKSA-N 1 0 357.498 2.349 20 30 FEEDRO COc1cccc2c1C[C@@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)C2 ZINC000521031294 562168009 /nfs/dbraw/zinc/16/80/09/562168009.db2.gz ZFORKVROARQJDX-INIZCTEOSA-N 1 0 356.447 2.098 20 30 FEEDRO CN(C)c1noc([C@@H]2CCC[N@H+](CCC(=O)Nc3sccc3C#N)C2)n1 ZINC000374530428 557895731 /nfs/dbraw/zinc/89/57/31/557895731.db2.gz MDOWGULFQNOZBU-CYBMUJFWSA-N 1 0 374.470 2.277 20 30 FEEDRO Cn1cc([C@H]2[C@@H](CNC(=O)N3CCC(C)(C#N)CC3)CCC[N@@H+]2C)cn1 ZINC000374804762 557934272 /nfs/dbraw/zinc/93/42/72/557934272.db2.gz DHARSUIESADFAI-NVXWUHKLSA-N 1 0 358.490 2.138 20 30 FEEDRO Cn1nccc1C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)NC1(C#N)CCCCC1 ZINC000374828483 557937209 /nfs/dbraw/zinc/93/72/09/557937209.db2.gz KXFMACNYUHVMBI-ALOPSCKCSA-N 1 0 355.486 2.473 20 30 FEEDRO C#Cc1cc(F)c(NC(=O)C(=O)NC2CC([NH+]3CCCCC3)C2)c(F)c1 ZINC000374887548 557946364 /nfs/dbraw/zinc/94/63/64/557946364.db2.gz QSLINLYZZAXNGH-UHFFFAOYSA-N 1 0 361.392 2.018 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N2CC[C@](F)(c3cc(OC)cc(OC)c3)C2)CC1 ZINC000374983161 557959365 /nfs/dbraw/zinc/95/93/65/557959365.db2.gz WKYRNGLZFVUKSB-OAQYLSRUSA-N 1 0 374.456 2.446 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N2CC[C@@](F)(c3cc(OC)cc(OC)c3)C2)CC1 ZINC000374983159 557959420 /nfs/dbraw/zinc/95/94/20/557959420.db2.gz WKYRNGLZFVUKSB-NRFANRHFSA-N 1 0 374.456 2.446 20 30 FEEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH2+][C@H]2CCC(=O)N[C@H]2C2CC2)c1 ZINC000375275038 558002803 /nfs/dbraw/zinc/00/28/03/558002803.db2.gz BZJPLJAWRHTQJK-RXVVDRJESA-N 1 0 368.481 2.197 20 30 FEEDRO N#CC1(c2ccccn2)CCN(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000375580432 558052325 /nfs/dbraw/zinc/05/23/25/558052325.db2.gz CXAZMOPKDPTIEL-INIZCTEOSA-N 1 0 353.470 2.133 20 30 FEEDRO C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCC[C@@H](NC(=O)OC(C)(C)C)[C@H]3C2)C1=O ZINC000375610460 558056794 /nfs/dbraw/zinc/05/67/94/558056794.db2.gz GHWOHGIJERRIAP-NXOAAHMSSA-N 1 0 363.502 2.399 20 30 FEEDRO N#Cc1ccc(N2CCC([NH2+]C[C@H]3CN4CCCC[C@@H]4CO3)CC2)cc1 ZINC000375896761 558095553 /nfs/dbraw/zinc/09/55/53/558095553.db2.gz ZUOBGTDPYJSCLF-RTWAWAEBSA-N 1 0 354.498 2.370 20 30 FEEDRO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3cccnc3)no2)C1 ZINC000375971486 558107442 /nfs/dbraw/zinc/10/74/42/558107442.db2.gz ADZDWVOMYWDNMQ-YYFZDKIDSA-N 1 0 367.453 2.176 20 30 FEEDRO C#CCSCCNC(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000376097337 558126645 /nfs/dbraw/zinc/12/66/45/558126645.db2.gz PXVGLCUKEVZBHJ-UHFFFAOYSA-N 1 0 363.449 2.457 20 30 FEEDRO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1Nc1cc(N)c([N+](=O)[O-])c(C#N)c1 ZINC000376175334 558137045 /nfs/dbraw/zinc/13/70/45/558137045.db2.gz VYONAFTYOKXECS-ISTRZQFTSA-N 1 0 359.430 2.350 20 30 FEEDRO Cc1[nH]c(=O)ccc1C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000376181467 558137633 /nfs/dbraw/zinc/13/76/33/558137633.db2.gz MGYDUPVEEWALJK-UHFFFAOYSA-N 1 0 350.422 2.384 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCNC(=O)[C@@H]2c2ccccc2C)CC1 ZINC000376297264 558153906 /nfs/dbraw/zinc/15/39/06/558153906.db2.gz YHWUWLGRJXTFLO-IBGZPJMESA-N 1 0 370.497 2.218 20 30 FEEDRO C#CC[C@H](Cc1ccccc1)NC(=O)NC[C@@H]1CCC[C@@H]1[NH+]1CCOCC1 ZINC000376328650 558158704 /nfs/dbraw/zinc/15/87/04/558158704.db2.gz UPBRRHJJHKGGRZ-HBMCJLEFSA-N 1 0 369.509 2.421 20 30 FEEDRO N#Cc1cnc2ccccc2c1NC[C@@H]1C[C@H](F)CN1Cc1cncnc1 ZINC000376488871 558179967 /nfs/dbraw/zinc/17/99/67/558179967.db2.gz SUVCIRBDGHCETN-IRXDYDNUSA-N 1 0 362.412 2.343 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@H](c3nc(C4CC4)no3)C2)CC1 ZINC000376704668 558211281 /nfs/dbraw/zinc/21/12/81/558211281.db2.gz KXUWRNPFYARDHM-HNNXBMFYSA-N 1 0 359.474 2.486 20 30 FEEDRO Cn1cc([N+](=O)[O-])cc1C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000521847660 562184664 /nfs/dbraw/zinc/18/46/64/562184664.db2.gz VJYRSPZTOAPCRW-UHFFFAOYSA-N 1 0 355.398 2.009 20 30 FEEDRO Cc1ccc(C#N)cc1S(=O)(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000522279512 562196090 /nfs/dbraw/zinc/19/60/90/562196090.db2.gz NDIIDROOFDJRRO-UHFFFAOYSA-N 1 0 373.478 2.286 20 30 FEEDRO N#C[C@@H]1CN(C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CCN1Cc1ccccc1 ZINC000377669786 558391982 /nfs/dbraw/zinc/39/19/82/558391982.db2.gz ORUWWVZJSLJSDE-SLFFLAALSA-N 1 0 367.497 2.033 20 30 FEEDRO CN1CC[C@H]([NH2+]CC(=O)NC2(C#N)CCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000377676742 558393973 /nfs/dbraw/zinc/39/39/73/558393973.db2.gz QDDQQXHWQDUROT-RDJZCZTQSA-N 1 0 364.852 2.376 20 30 FEEDRO CCOC(=O)c1cnn(C2CC[NH+](Cc3cc(C#N)n(C)c3)CC2)c1C ZINC000377720697 558405333 /nfs/dbraw/zinc/40/53/33/558405333.db2.gz RXJHAILYWNXPCP-UHFFFAOYSA-N 1 0 355.442 2.416 20 30 FEEDRO CC(C)(C#N)CCS(=O)(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C1 ZINC000377835726 558432117 /nfs/dbraw/zinc/43/21/17/558432117.db2.gz WAZZWDSDTXZAAW-MSOLQXFVSA-N 1 0 361.511 2.462 20 30 FEEDRO N#Cc1ccc(Cn2cnc(NC(=O)[C@@H]3C[C@@H]4CCCC[N@@H+]4C3)n2)cc1 ZINC000378008445 558462110 /nfs/dbraw/zinc/46/21/10/558462110.db2.gz IPQCBDXQCYCRLK-SJORKVTESA-N 1 0 350.426 2.011 20 30 FEEDRO CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)CCc3ccc(C#N)cc3)C2)CC1 ZINC000378118215 558485108 /nfs/dbraw/zinc/48/51/08/558485108.db2.gz ZEQWCEAXSJNWHV-HXUWFJFHSA-N 1 0 354.498 2.118 20 30 FEEDRO Cc1ncc(C[N@@H+]2CC[C@@H](Nc3nccc(C#N)c3[N+](=O)[O-])[C@@H](C)C2)s1 ZINC000378130987 558487831 /nfs/dbraw/zinc/48/78/31/558487831.db2.gz DKTPHEVECQTPLZ-XHDPSFHLSA-N 1 0 372.454 2.949 20 30 FEEDRO C[C@@H]1CN(C(=O)Nc2ccc(CC#N)cc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000378308723 558525707 /nfs/dbraw/zinc/52/57/07/558525707.db2.gz NRHKXJYWYDPFEN-VQIMIIECSA-N 1 0 355.486 2.242 20 30 FEEDRO C=CCN(C(=O)[C@H](O)c1cccnc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000378318449 558528705 /nfs/dbraw/zinc/52/87/05/558528705.db2.gz UVRUCSWRMWCVEJ-VQTJNVASSA-N 1 0 351.450 2.404 20 30 FEEDRO C#CCOc1ccc(C[NH+]2C[C@@H]3CN(Cc4noc(CC)n4)C[C@H]3C2)cc1 ZINC000378354144 558537097 /nfs/dbraw/zinc/53/70/97/558537097.db2.gz YYRQJSJYXMRJSH-QZTJIDSGSA-N 1 0 366.465 2.208 20 30 FEEDRO COC(=O)c1ccc(C[NH2+]C2CCN(c3ccc(C#N)cn3)CC2)cc1 ZINC000378451102 558560552 /nfs/dbraw/zinc/56/05/52/558560552.db2.gz JCJHMRWNFSORHF-UHFFFAOYSA-N 1 0 350.422 2.498 20 30 FEEDRO C[NH+]1CCN(c2cc(C[NH2+][C@@H]3CCC[C@@H]4O[C@H](CC#N)C[C@H]43)ccn2)CC1 ZINC000378466226 558564099 /nfs/dbraw/zinc/56/40/99/558564099.db2.gz ZQUWVVFZAGUKQB-WCIQWLHISA-N 1 0 369.513 2.163 20 30 FEEDRO CN(C(=O)[C@H]1CC12CCN(CC(=O)Nc1sccc1C#N)CC2)C1CC1 ZINC000378467733 558564385 /nfs/dbraw/zinc/56/43/85/558564385.db2.gz VZMGFOQVZAQXNU-OAHLLOKOSA-N 1 0 372.494 2.281 20 30 FEEDRO C=CCc1ccc(OC[C@H](O)CN(C)[C@@H]2CC[N@@H+](C3CC3)C2)c(OC)c1 ZINC000523582872 562215709 /nfs/dbraw/zinc/21/57/09/562215709.db2.gz KDHVVCFKXAULAG-RTBURBONSA-N 1 0 360.498 2.332 20 30 FEEDRO N#Cc1ccc(OC[C@H](O)C[NH2+][C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000381898406 558604151 /nfs/dbraw/zinc/60/41/51/558604151.db2.gz RASPJMNJDPTVGY-VQTJNVASSA-N 1 0 351.450 2.162 20 30 FEEDRO Cc1nc(C(=O)NCC2(O)CC[NH+](Cc3ccccc3)CC2)ccc1C#N ZINC000397644475 558624730 /nfs/dbraw/zinc/62/47/30/558624730.db2.gz UMHCZJKKJXPPFL-UHFFFAOYSA-N 1 0 364.449 2.019 20 30 FEEDRO N#Cc1ccc(C(=O)N2CCO[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]32)nc1 ZINC000404208934 558631514 /nfs/dbraw/zinc/63/15/14/558631514.db2.gz VPDLAJRAQJWTBN-UXHICEINSA-N 1 0 362.433 2.069 20 30 FEEDRO Cc1ncc(S(=O)(=O)N[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)cc1C#N ZINC000405947619 558633011 /nfs/dbraw/zinc/63/30/11/558633011.db2.gz CZNJTLXKXASBHR-IBGZPJMESA-N 1 0 370.478 2.205 20 30 FEEDRO C[C@H](C(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1)n1cnc(C#N)n1 ZINC000409458575 558694321 /nfs/dbraw/zinc/69/43/21/558694321.db2.gz IASSKIMLSIFNES-JKSUJKDBSA-N 1 0 366.469 2.259 20 30 FEEDRO C[C@H](C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1)n1cnc(C#N)n1 ZINC000409463032 558694715 /nfs/dbraw/zinc/69/47/15/558694715.db2.gz ISLVLHPURPEOCA-HZPDHXFCSA-N 1 0 366.469 2.259 20 30 FEEDRO CCN(CCC#N)S(=O)(=O)N(CC)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000409498090 558697602 /nfs/dbraw/zinc/69/76/02/558697602.db2.gz GMPXAXBIAFZIFH-SFHVURJKSA-N 1 0 364.515 2.063 20 30 FEEDRO CCN(C[C@@H](C)C#N)S(=O)(=O)NCc1ccc(C[NH+](CC)CC)cc1 ZINC000409555715 558702925 /nfs/dbraw/zinc/70/29/25/558702925.db2.gz MELQYEYVVJAWPH-INIZCTEOSA-N 1 0 366.531 2.344 20 30 FEEDRO C=CC[C@H](CO)NC(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2 ZINC000410071664 558737476 /nfs/dbraw/zinc/73/74/76/558737476.db2.gz IDVXSJPQTXARRR-MRXNPFEDSA-N 1 0 355.482 2.461 20 30 FEEDRO CCN(CCC#N)S(=O)(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000410131578 558740551 /nfs/dbraw/zinc/74/05/51/558740551.db2.gz SDPIQAQYLNRORX-GOEBONIOSA-N 1 0 370.544 2.201 20 30 FEEDRO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)C[C@H](O)C(F)(F)F ZINC000411435754 558894830 /nfs/dbraw/zinc/89/48/30/558894830.db2.gz DUBURUYVRJFLEE-LBPRGKRZSA-N 1 0 361.389 2.292 20 30 FEEDRO CC(C)OC[C@H](CO)[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000411635446 558933239 /nfs/dbraw/zinc/93/32/39/558933239.db2.gz NFVYMOLGEQIBFL-ZDUSSCGKSA-N 1 0 365.499 2.155 20 30 FEEDRO CC(C)(CC#N)CNC(=O)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000411646618 558935582 /nfs/dbraw/zinc/93/55/82/558935582.db2.gz MPMQRDSVKHRTTB-UHFFFAOYSA-N 1 0 356.470 2.319 20 30 FEEDRO C[C@H]1CN(c2cc(C(F)(F)F)cnc2C#N)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000413217145 559089210 /nfs/dbraw/zinc/08/92/10/559089210.db2.gz XQJYCUKJRREUTA-XJKSGUPXSA-N 1 0 367.419 2.434 20 30 FEEDRO C=CC[C@H](Cc1ccccc1)NC(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000413311911 559097975 /nfs/dbraw/zinc/09/79/75/559097975.db2.gz JICPUAQHFGASAZ-UYAOXDASSA-N 1 0 358.530 2.357 20 30 FEEDRO C[NH+](C)CCN(C1CC1)S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000414458423 559165311 /nfs/dbraw/zinc/16/53/11/559165311.db2.gz HLGIHTLOOYUFQF-UHFFFAOYSA-N 1 0 361.389 2.292 20 30 FEEDRO CC(C)[C@H]1CCc2c(C#N)c(NC(=O)C(=O)N3CC[C@@H](C[NH3+])C3)sc2C1 ZINC000415355877 559227021 /nfs/dbraw/zinc/22/70/21/559227021.db2.gz PNKTZHOQHSBTRC-STQMWFEESA-N 1 0 374.510 2.126 20 30 FEEDRO N#Cc1cccc(Oc2ccc(NC(=O)C(=O)N3CC[C@@H](C[NH3+])C3)cc2)c1 ZINC000415356586 559227166 /nfs/dbraw/zinc/22/71/66/559227166.db2.gz QTXOWVYZULRPBX-HNNXBMFYSA-N 1 0 364.405 2.096 20 30 FEEDRO N#Cc1ccc(Oc2cccc(NC(=O)C(=O)NC[C@H]3CCC[NH2+]3)c2)cc1 ZINC000415386533 559229773 /nfs/dbraw/zinc/22/97/73/559229773.db2.gz WYPOKVCDLDQHRG-MRXNPFEDSA-N 1 0 364.405 2.157 20 30 FEEDRO C[C@@H]([NH3+])C1CCN(C(=O)C(=O)Nc2ccccc2SCCC#N)CC1 ZINC000415403072 559231840 /nfs/dbraw/zinc/23/18/40/559231840.db2.gz WKAWFDNOQLLVTA-CYBMUJFWSA-N 1 0 360.483 2.217 20 30 FEEDRO C[NH2+]CC1CCN(C(=O)C(=O)Nc2ccccc2S[C@@H](C)CC#N)CC1 ZINC000415408131 559232410 /nfs/dbraw/zinc/23/24/10/559232410.db2.gz ZGNWDTKFESJGLS-AWEZNQCLSA-N 1 0 374.510 2.477 20 30 FEEDRO C[C@H]1CCCN(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)[C@H]1C[NH3+] ZINC000415438967 559237048 /nfs/dbraw/zinc/23/70/48/559237048.db2.gz CPZXAJAJKXVVKX-LRDDRELGSA-N 1 0 372.860 2.988 20 30 FEEDRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 ZINC000415445726 559237859 /nfs/dbraw/zinc/23/78/59/559237859.db2.gz SOOXUBUEDSICSG-IUODEOHRSA-N 1 0 356.405 2.617 20 30 FEEDRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)C1 ZINC000415447451 559238191 /nfs/dbraw/zinc/23/81/91/559238191.db2.gz HLMCANRWGNDIJN-OLZOCXBDSA-N 1 0 372.860 2.988 20 30 FEEDRO N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)N[C@H]2CC[C@H](C[NH3+])C2)n1 ZINC000415461725 559239596 /nfs/dbraw/zinc/23/95/96/559239596.db2.gz OJQMHCOWTDMPMJ-FZMZJTMJSA-N 1 0 358.833 2.646 20 30 FEEDRO C[C@@H]1CN(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)C[C@@]1(C)C[NH3+] ZINC000415462134 559239644 /nfs/dbraw/zinc/23/96/44/559239644.db2.gz PEMLTHKJXOBTGX-KZULUSFZSA-N 1 0 372.860 2.846 20 30 FEEDRO N#Cc1ccc(-n2ccc(NC(=O)N[C@@H]3CC[C@@H](C[NH3+])C3)n2)c(Cl)c1 ZINC000415464621 559239996 /nfs/dbraw/zinc/23/99/96/559239996.db2.gz RQVHQMVXDNEHGB-DGCLKSJQSA-N 1 0 358.833 2.646 20 30 FEEDRO C[C@@H]1CN(C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)C[C@@]1(C)C[NH3+] ZINC000415468386 559240628 /nfs/dbraw/zinc/24/06/28/559240628.db2.gz WHHRBZXSGDOLNH-KZULUSFZSA-N 1 0 372.860 2.846 20 30 FEEDRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000415492231 559243035 /nfs/dbraw/zinc/24/30/35/559243035.db2.gz LFYPYNGPHDGTAH-UONOGXRCSA-N 1 0 360.483 2.230 20 30 FEEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)NC[C@H](C)C[NH3+] ZINC000415509507 559245193 /nfs/dbraw/zinc/24/51/93/559245193.db2.gz HSJHZWDDWQRWOE-CYBMUJFWSA-N 1 0 366.421 2.309 20 30 FEEDRO N#CCCCN1C(=O)CCc2cc(NC(=O)N[C@H]3CCC[NH2+]C3)ccc21 ZINC000415560829 559249709 /nfs/dbraw/zinc/24/97/09/559249709.db2.gz MSENSGTZNGNHLS-INIZCTEOSA-N 1 0 355.442 2.143 20 30 FEEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000415564647 559250157 /nfs/dbraw/zinc/25/01/57/559250157.db2.gz SUCFNLIPPDKKSX-CQSZACIVSA-N 1 0 374.510 2.383 20 30 FEEDRO N#Cc1cccc(-c2csc(NC(=O)C(=O)N[C@@H]3CCC[C@@H]([NH3+])C3)n2)c1 ZINC000415636215 559257246 /nfs/dbraw/zinc/25/72/46/559257246.db2.gz FBEXQARNJHKINV-ZIAGYGMSSA-N 1 0 369.450 2.006 20 30 FEEDRO [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)Nc2cccc(C#Cc3ccccc3)c2)C1 ZINC000415835853 559276731 /nfs/dbraw/zinc/27/67/31/559276731.db2.gz PEMSUBMFYZRYET-ICSRJNTNSA-N 1 0 361.445 2.269 20 30 FEEDRO C[C@@H]1CCN(C(=O)C(=O)Nc2scc(C(C)(C)C)c2C#N)C[C@H]1C[NH3+] ZINC000415856261 559279014 /nfs/dbraw/zinc/27/90/14/559279014.db2.gz ZMHWCUUCEBRRDL-VXGBXAGGSA-N 1 0 362.499 2.299 20 30 FEEDRO Cc1c(C#N)cccc1NC(=O)C(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1 ZINC000415863092 559279473 /nfs/dbraw/zinc/27/94/73/559279473.db2.gz QTMUBNZAIWGYPN-QGZVFWFLSA-N 1 0 354.454 2.042 20 30 FEEDRO O=C(Nc1cccc(C#Cc2ccccc2)c1)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000415874199 559280578 /nfs/dbraw/zinc/28/05/78/559280578.db2.gz WFTCDYJOGYYYBP-HXUWFJFHSA-N 1 0 361.445 2.283 20 30 FEEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000415901803 559281853 /nfs/dbraw/zinc/28/18/53/559281853.db2.gz XSKSWNDMXJLJGJ-RBSFLKMASA-N 1 0 372.494 2.087 20 30 FEEDRO N#Cc1ccc(N2CCC[C@@H](NC(=O)Nc3ccc(C[NH3+])cc3)C2=O)cc1 ZINC000415944958 559283704 /nfs/dbraw/zinc/28/37/04/559283704.db2.gz BMTIBSWXGXQLBE-GOSISDBHSA-N 1 0 363.421 2.334 20 30 FEEDRO N#Cc1cccc(OC2CCN(C(=O)N[C@H](CC[NH3+])C(F)(F)F)CC2)c1 ZINC000416009289 559288809 /nfs/dbraw/zinc/28/88/09/559288809.db2.gz OPCOQKVFDFVYDY-OAHLLOKOSA-N 1 0 370.375 2.391 20 30 FEEDRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)CCCCOc1cccc(C#N)c1 ZINC000416287861 559302590 /nfs/dbraw/zinc/30/25/90/559302590.db2.gz CJKJGUORVAZELG-IAGOWNOFSA-N 1 0 359.470 2.021 20 30 FEEDRO C=CCCS(=O)(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1OCC ZINC000416594549 559323960 /nfs/dbraw/zinc/32/39/60/559323960.db2.gz DJBZDGKRGAXTDX-QZTJIDSGSA-N 1 0 352.500 2.019 20 30 FEEDRO CO[C@@H]1CCN(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)[C@H](C[NH3+])C1 ZINC000416953874 559340133 /nfs/dbraw/zinc/34/01/33/559340133.db2.gz VVNMBWMLVPSEMH-JKSUJKDBSA-N 1 0 369.387 2.205 20 30 FEEDRO C[C@@H]1CN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)CC[C@H]1[NH3+] ZINC000417584794 559367861 /nfs/dbraw/zinc/36/78/61/559367861.db2.gz YQBWNOKKYLSCLN-UKPHBRMFSA-N 1 0 359.449 2.045 20 30 FEEDRO CC(C)C[C@@H](C[NH3+])NC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000417964206 559384273 /nfs/dbraw/zinc/38/42/73/559384273.db2.gz JDZPWAQCNXQPQT-CGZBRXJRSA-N 1 0 359.474 2.316 20 30 FEEDRO C=C(C)[C@H](NC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1)c1ccc(F)c(F)c1 ZINC000418025991 559387040 /nfs/dbraw/zinc/38/70/40/559387040.db2.gz GPNORZBFOGIZMG-QAPCUYQASA-N 1 0 364.440 2.271 20 30 FEEDRO N#Cc1ccc(CN2CCN(C(=O)NC[C@@H]([NH3+])c3ccccc3)CC2)cc1 ZINC000418451662 559402132 /nfs/dbraw/zinc/40/21/32/559402132.db2.gz NAYDKERNTZSCCH-HXUWFJFHSA-N 1 0 363.465 2.085 20 30 FEEDRO N#Cc1ccccc1N1CCCN(C(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000418715530 559412247 /nfs/dbraw/zinc/41/22/47/559412247.db2.gz IPGFPEPJVDAURN-AEFFLSMTSA-N 1 0 355.486 2.297 20 30 FEEDRO C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000419057651 559426546 /nfs/dbraw/zinc/42/65/46/559426546.db2.gz OOKOXHFOCKATEB-FQEVSTJZSA-N 1 0 363.461 2.210 20 30 FEEDRO C=CCSc1ccccc1NC(=O)CN1C[C@H](C)[N@@H+](CCO)C[C@@H]1C ZINC000419317523 559436671 /nfs/dbraw/zinc/43/66/71/559436671.db2.gz AJOBMCHBBDNSCT-HOTGVXAUSA-N 1 0 363.527 2.290 20 30 FEEDRO C[C@H]([NH3+])c1ccc(CNC(=O)C(=O)N[C@H](CCC#N)c2ccccc2)cc1 ZINC000419469336 559444034 /nfs/dbraw/zinc/44/40/34/559444034.db2.gz CSCCHUYIHBBXFM-HNAYVOBHSA-N 1 0 364.449 2.484 20 30 FEEDRO N#CCC[C@H](NC(=O)C(=O)N1CCC2(CC[NH2+]CC2)CC1)c1ccccc1 ZINC000419476472 559444231 /nfs/dbraw/zinc/44/42/31/559444231.db2.gz PQWLZDHFJQUYIV-SFHVURJKSA-N 1 0 368.481 2.140 20 30 FEEDRO N#CCC[C@H](NC(=O)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1)c1ccccc1 ZINC000419480175 559444535 /nfs/dbraw/zinc/44/45/35/559444535.db2.gz VZZQRXQHMGFECU-MOPGFXCFSA-N 1 0 368.481 2.138 20 30 FEEDRO C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@H]2CCCc3cc(C#N)ccc32)[C@H](C)C1 ZINC000419627141 559450422 /nfs/dbraw/zinc/45/04/22/559450422.db2.gz XUBUNYMGHJUHRY-VCBZYWHSSA-N 1 0 356.470 2.032 20 30 FEEDRO COCC[N@H+](C)CCCC1CCN(C(=O)NCC2(C#N)CCC2)CC1 ZINC000419632203 559450647 /nfs/dbraw/zinc/45/06/47/559450647.db2.gz WUNWOJNPEKWYBY-UHFFFAOYSA-N 1 0 350.507 2.460 20 30 FEEDRO CC(C)[NH+]1CCC(O)(CNC(=O)N[C@@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000419639742 559451135 /nfs/dbraw/zinc/45/11/35/559451135.db2.gz LTJPMNKPNHNAKE-LJQANCHMSA-N 1 0 370.497 2.470 20 30 FEEDRO N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)C(=O)NCC1([NH3+])CCCCC1 ZINC000419804675 559460239 /nfs/dbraw/zinc/46/02/39/559460239.db2.gz ONYWYFUKISWIGM-ZWKOTPCHSA-N 1 0 368.481 2.063 20 30 FEEDRO N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)C(=O)NCC1([NH3+])CCCCC1 ZINC000419804673 559460268 /nfs/dbraw/zinc/46/02/68/559460268.db2.gz ONYWYFUKISWIGM-ROUUACIJSA-N 1 0 368.481 2.063 20 30 FEEDRO Cc1nc(C#N)c(N2CCC(C(=O)NCCC[NH2+]C3CCCCC3)CC2)o1 ZINC000419902921 559463744 /nfs/dbraw/zinc/46/37/44/559463744.db2.gz VTIIADOKMJZKSP-UHFFFAOYSA-N 1 0 373.501 2.500 20 30 FEEDRO C=CCC[C@@H]1NC(=O)N(C[C@@H]2CSCC[N@@H+]2Cc2ccccc2)C1=O ZINC000419938786 559465626 /nfs/dbraw/zinc/46/56/26/559465626.db2.gz QGGPHKFJIGCYSD-SJORKVTESA-N 1 0 359.495 2.491 20 30 FEEDRO CC(C)(CCC[NH3+])NS(=O)(=O)c1cccc(Br)c1C#N ZINC000420417166 559486662 /nfs/dbraw/zinc/48/66/62/559486662.db2.gz DKUZTNBQLGOLPG-UHFFFAOYSA-N 1 0 360.277 2.117 20 30 FEEDRO C[C@@H]1CCN(S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)C[C@H]1C[NH3+] ZINC000420480786 559489764 /nfs/dbraw/zinc/48/97/64/559489764.db2.gz PKWWGZJTOXJEIE-ZYHUDNBSSA-N 1 0 361.389 2.182 20 30 FEEDRO CN(C[C@H]1CCC[N@@H+]1C)S(=O)(=O)c1cc(Br)ccc1C#N ZINC000420738883 559501527 /nfs/dbraw/zinc/50/15/27/559501527.db2.gz OJXFNBRVLCAMND-CYBMUJFWSA-N 1 0 372.288 2.035 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccc(C(N)=O)cc2OC(C)C)CC1 ZINC000421150503 559526862 /nfs/dbraw/zinc/52/68/62/559526862.db2.gz FEBLWWUEQWMMJR-UHFFFAOYSA-N 1 0 360.458 2.345 20 30 FEEDRO CCOC(=O)c1c(NC(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c(C#N)cn1CC ZINC000421164266 559527986 /nfs/dbraw/zinc/52/79/86/559527986.db2.gz KHHDXWCRFXLVTB-CABCVRRESA-N 1 0 373.457 2.305 20 30 FEEDRO CCOC(=O)c1c(NC(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)c(C#N)cn1CC ZINC000421189383 559530058 /nfs/dbraw/zinc/53/00/58/559530058.db2.gz ZYJKWTLRFCLSDP-IBGZPJMESA-N 1 0 373.457 2.116 20 30 FEEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000421292472 559536398 /nfs/dbraw/zinc/53/63/98/559536398.db2.gz BEKPNSDMPUBPMP-LSDHHAIUSA-N 1 0 374.510 2.429 20 30 FEEDRO N#Cc1cccc2c1CCN2C(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000421965874 559558486 /nfs/dbraw/zinc/55/84/86/559558486.db2.gz KPUJPNDZGTZYMW-UHFFFAOYSA-N 1 0 361.449 2.055 20 30 FEEDRO CCN(C(=O)C(=O)NCC(C)(C)CC#N)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000422473745 559590502 /nfs/dbraw/zinc/59/05/02/559590502.db2.gz CMKQBHSITLUXBR-GOSISDBHSA-N 1 0 370.497 2.165 20 30 FEEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)C(=O)NCC(C)(C)CC#N ZINC000422478339 559590913 /nfs/dbraw/zinc/59/09/13/559590913.db2.gz GZFIUPLKIFIICA-QGZVFWFLSA-N 1 0 370.497 2.165 20 30 FEEDRO C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000422520717 559592621 /nfs/dbraw/zinc/59/26/21/559592621.db2.gz CFUDUZUABCQCOR-VQTJNVASSA-N 1 0 369.509 2.377 20 30 FEEDRO C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CCC([NH2+]C(C)C)CC1 ZINC000422529399 559593160 /nfs/dbraw/zinc/59/31/60/559593160.db2.gz PBECIQVQXYJGFM-IBGZPJMESA-N 1 0 357.498 2.279 20 30 FEEDRO C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000422530686 559593186 /nfs/dbraw/zinc/59/31/86/559593186.db2.gz RFJBUHQRVZTDSB-DFQSSKMNSA-N 1 0 371.525 2.479 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000423020167 559615203 /nfs/dbraw/zinc/61/52/03/559615203.db2.gz ZCANRAJEQNGUQJ-UHFFFAOYSA-N 1 0 361.511 2.253 20 30 FEEDRO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000423531030 559631319 /nfs/dbraw/zinc/63/13/19/559631319.db2.gz SECIJYZTNHHEQX-OTWHNJEPSA-N 1 0 370.497 2.117 20 30 FEEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000423569594 559632452 /nfs/dbraw/zinc/63/24/52/559632452.db2.gz SKTRMDRSBKFZDR-AWEZNQCLSA-N 1 0 372.494 2.374 20 30 FEEDRO N#CCCC[C@@H]([NH3+])C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000424066416 559653477 /nfs/dbraw/zinc/65/34/77/559653477.db2.gz NGUCDCHAXCSIBC-LLVKDONJSA-N 1 0 373.335 2.163 20 30 FEEDRO N#CCCC[C@H]([NH3+])C(=O)N1CCCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000424101007 559654708 /nfs/dbraw/zinc/65/47/08/559654708.db2.gz IUVGAYFMLPADMA-INIZCTEOSA-N 1 0 362.861 2.036 20 30 FEEDRO CCOc1ccc(C2(CNC(=O)[C@@H]([NH3+])CCCC#N)CCOCC2)cc1 ZINC000424101197 559654792 /nfs/dbraw/zinc/65/47/92/559654792.db2.gz JECRLIKPEFIZSL-SFHVURJKSA-N 1 0 359.470 2.271 20 30 FEEDRO Cc1cc(C(=O)N2CCSCC2)ccc1NC(=O)[C@@H]([NH3+])CCCC#N ZINC000424114815 559655345 /nfs/dbraw/zinc/65/53/45/559655345.db2.gz SFIYQKGKTFXEFA-HNNXBMFYSA-N 1 0 360.483 2.144 20 30 FEEDRO C[C@H](CNC(=O)[C@@H]([NH3+])CCCC#N)Oc1ccccc1Br ZINC000424135675 559655751 /nfs/dbraw/zinc/65/57/51/559655751.db2.gz ZQNZVMJYSDJUKK-YPMHNXCESA-N 1 0 354.248 2.354 20 30 FEEDRO N#CCCC[C@H]([NH3+])C(=O)Nc1ccn(-c2cccc(C(F)(F)F)c2)n1 ZINC000424179872 559656934 /nfs/dbraw/zinc/65/69/34/559656934.db2.gz ZUOCTTBFPIWHOS-ZDUSSCGKSA-N 1 0 351.332 2.851 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000424500598 559667673 /nfs/dbraw/zinc/66/76/73/559667673.db2.gz JTKXZZMARBEFDB-RWQQGDIJSA-N 1 0 350.503 2.315 20 30 FEEDRO C=CCCn1cc(C(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)nn1 ZINC000424576272 559669929 /nfs/dbraw/zinc/66/99/29/559669929.db2.gz MRTVXYHGTDZUJV-UHFFFAOYSA-N 1 0 353.470 2.421 20 30 FEEDRO C=CCCn1cc(C(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2F)nn1 ZINC000424610104 559671137 /nfs/dbraw/zinc/67/11/37/559671137.db2.gz BNDOWUIKMIDYHM-UHFFFAOYSA-N 1 0 363.412 2.336 20 30 FEEDRO Cc1c(C#N)cccc1NC(=O)C(=O)N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000527327558 562285427 /nfs/dbraw/zinc/28/54/27/562285427.db2.gz QORHXUALSVNQJV-UHFFFAOYSA-N 1 0 356.470 2.384 20 30 FEEDRO C=CCN(CC=C)C(=O)[C@H](C)[N@H+](C)CCCN1C(=O)c2ccccc2C1=O ZINC000425543907 559708862 /nfs/dbraw/zinc/70/88/62/559708862.db2.gz PBXIQAHYHAOOPS-INIZCTEOSA-N 1 0 369.465 2.194 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)NC(C)(C)c2nocc2C(=O)OC)CC1 ZINC000425664413 559713648 /nfs/dbraw/zinc/71/36/48/559713648.db2.gz OTWNLUMHCDRWHG-UHFFFAOYSA-N 1 0 364.446 2.036 20 30 FEEDRO C[C@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000425909872 559724866 /nfs/dbraw/zinc/72/48/66/559724866.db2.gz RLHBWZHNOODANM-OAHLLOKOSA-N 1 0 368.481 2.068 20 30 FEEDRO Cc1cccc(C)c1OC[C@@H](O)C[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000428818567 559784150 /nfs/dbraw/zinc/78/41/50/559784150.db2.gz NOUOXLAKYLSOEF-OALUTQOASA-N 1 0 367.449 2.463 20 30 FEEDRO C=C(C)[C@@H](CC(=O)N(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)OCC ZINC000428974350 559787090 /nfs/dbraw/zinc/78/70/90/559787090.db2.gz FGAAKKFVOVWHTM-TZIWHRDSSA-N 1 0 360.498 2.453 20 30 FEEDRO C=CCN(C(=O)[C@@H]1CCC[C@H]([NH3+])C1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000430524076 559821573 /nfs/dbraw/zinc/82/15/73/559821573.db2.gz JFRUYWJAAFMBOR-OIISXLGYSA-N 1 0 354.458 2.255 20 30 FEEDRO N#Cc1ccccc1NC(=O)CCCC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000432462444 559859250 /nfs/dbraw/zinc/85/92/50/559859250.db2.gz SXNYCRIHXGPLPR-MSOLQXFVSA-N 1 0 354.454 2.410 20 30 FEEDRO N#CCCn1cc(C[NH2+]Cc2ccnc3ccnn32)c(-c2ccncc2)n1 ZINC000433320010 559876856 /nfs/dbraw/zinc/87/68/56/559876856.db2.gz KJIKEFYTYJJHQC-UHFFFAOYSA-N 1 0 358.409 2.191 20 30 FEEDRO CC[NH+](CC)C[C@H](C)NS(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000433348242 559877800 /nfs/dbraw/zinc/87/78/00/559877800.db2.gz TYZGQQWRNAADNL-NSHDSACASA-N 1 0 374.304 2.329 20 30 FEEDRO COC[C@H]([NH2+][C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2)[C@@H]1CCCO1 ZINC000434784810 559909235 /nfs/dbraw/zinc/90/92/35/559909235.db2.gz MTHKZDRITUNOJM-UGFHNGPFSA-N 1 0 363.483 2.219 20 30 FEEDRO COCC[NH+]1CCC(NC(=O)Nc2cc(C)c(N(C)C)cc2C#N)CC1 ZINC000436482285 559942818 /nfs/dbraw/zinc/94/28/18/559942818.db2.gz ADIPZVWCDYFNNG-UHFFFAOYSA-N 1 0 359.474 2.165 20 30 FEEDRO N#Cc1ccc(NC(=O)NCC2CC[NH+](CCO)CC2)cc1C(F)(F)F ZINC000438647837 559981865 /nfs/dbraw/zinc/98/18/65/559981865.db2.gz JLJHDURDFYNYDI-UHFFFAOYSA-N 1 0 370.375 2.403 20 30 FEEDRO COc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H]1CCCC[N@@H+]1CC(C)C ZINC000439455549 559994321 /nfs/dbraw/zinc/99/43/21/559994321.db2.gz VGCDYBQVZUBHHS-MRXNPFEDSA-N 1 0 372.469 2.132 20 30 FEEDRO CN(C(=O)C[NH2+][C@]1(CO)CCCc2ccccc21)C1(C#N)CCCCC1 ZINC000440486537 560012041 /nfs/dbraw/zinc/01/20/41/560012041.db2.gz YZKKMMSZEBFSAH-NRFANRHFSA-N 1 0 355.482 2.485 20 30 FEEDRO CC(C)(C)OC(=O)CN[C@]1(C)CC[N@H+](CCOc2cccc(C#N)c2)C1 ZINC000440526565 560013704 /nfs/dbraw/zinc/01/37/04/560013704.db2.gz YAYAVNIMCBOKCG-HXUWFJFHSA-N 1 0 359.470 2.333 20 30 FEEDRO COCCS(=O)(=O)c1ccc(C[NH2+]Cc2ccc(C#N)c(OC)c2)cc1 ZINC000440631091 560015117 /nfs/dbraw/zinc/01/51/17/560015117.db2.gz VNIGBJNPWURXJS-UHFFFAOYSA-N 1 0 374.462 2.277 20 30 FEEDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000441269889 560027609 /nfs/dbraw/zinc/02/76/09/560027609.db2.gz SQBWBTIWZGGXFZ-KURKYZTESA-N 1 0 367.453 2.292 20 30 FEEDRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000441269885 560027671 /nfs/dbraw/zinc/02/76/71/560027671.db2.gz SQBWBTIWZGGXFZ-FGTMMUONSA-N 1 0 367.453 2.292 20 30 FEEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000442144985 560044905 /nfs/dbraw/zinc/04/49/05/560044905.db2.gz YWDXKCHEMUHMTB-QLFBSQMISA-N 1 0 374.510 2.476 20 30 FEEDRO C=C(C)CN(CC)C(=O)C[N@H+](Cc1ccccc1)C[C@]1(O)CCO[C@H]1C ZINC000447927401 560173364 /nfs/dbraw/zinc/17/33/64/560173364.db2.gz OZIYTZWVEBLRBI-GHTZIAJQSA-N 1 0 360.498 2.453 20 30 FEEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)Cc3ccc(C#N)nc3)CC2)cc1 ZINC000527746510 562302286 /nfs/dbraw/zinc/30/22/86/562302286.db2.gz SLNHLZRHFLHWKX-UHFFFAOYSA-N 1 0 359.433 2.102 20 30 FEEDRO C[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C1 ZINC000448883349 560204787 /nfs/dbraw/zinc/20/47/87/560204787.db2.gz QPQUJDGVJQFUKI-GOEBONIOSA-N 1 0 374.872 2.117 20 30 FEEDRO C[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 ZINC000448885523 560204907 /nfs/dbraw/zinc/20/49/07/560204907.db2.gz XARLXQBQRDSSFY-HOCLYGCPSA-N 1 0 374.872 2.117 20 30 FEEDRO C[C@@H]1C[C@@]1(C#N)C(=O)NCc1cccc(OCC[N@H+](C)C2CCOCC2)c1 ZINC000448892540 560205095 /nfs/dbraw/zinc/20/50/95/560205095.db2.gz CSLSHBVAWLDJGZ-IERDGZPVSA-N 1 0 371.481 2.342 20 30 FEEDRO C[C@@H](CC[NH+](C)C)NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 ZINC000448978372 560210080 /nfs/dbraw/zinc/21/00/80/560210080.db2.gz XBTMOAVUTXEBQT-GXTWGEPZSA-N 1 0 362.861 2.021 20 30 FEEDRO CC(C)[N@H+](C)CCNC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 ZINC000448983016 560210217 /nfs/dbraw/zinc/21/02/17/560210217.db2.gz ZAFHOCFRWDTOQE-CQSZACIVSA-N 1 0 362.861 2.021 20 30 FEEDRO CN(C(=O)COc1cccc(Br)c1C#N)C1CC[NH+](C)CC1 ZINC000449041696 560213906 /nfs/dbraw/zinc/21/39/06/560213906.db2.gz NUBGWEHGQYKNTF-UHFFFAOYSA-N 1 0 366.259 2.252 20 30 FEEDRO C[NH+](C)C(C)(C)CNC(=O)COc1cccc(Br)c1C#N ZINC000449122857 560216959 /nfs/dbraw/zinc/21/69/59/560216959.db2.gz MHSGSMWZPOITHQ-UHFFFAOYSA-N 1 0 354.248 2.156 20 30 FEEDRO CC[NH+]1CCC(NC(=O)COc2cccc(Br)c2C#N)CC1 ZINC000449183874 560219151 /nfs/dbraw/zinc/21/91/51/560219151.db2.gz LPMDDDDWNDHEJE-UHFFFAOYSA-N 1 0 366.259 2.300 20 30 FEEDRO C=C(CC)C[NH2+]C1CCN(S(=O)(=O)c2ccc(NC(C)=O)cc2)CC1 ZINC000449732918 560238352 /nfs/dbraw/zinc/23/83/52/560238352.db2.gz FIBMVYRKADOUGM-UHFFFAOYSA-N 1 0 365.499 2.354 20 30 FEEDRO C[N@H+](CCOc1ccc(S(N)(=O)=O)cc1F)CC(C)(C)CCC#N ZINC000449757619 560239078 /nfs/dbraw/zinc/23/90/78/560239078.db2.gz TWCSMUWMPFUWNK-UHFFFAOYSA-N 1 0 357.451 2.114 20 30 FEEDRO C[NH+](C)[C@H]1CCCN(C(=O)COc2cccc(Br)c2C#N)C1 ZINC000449833938 560241796 /nfs/dbraw/zinc/24/17/96/560241796.db2.gz JDJPXFFMZDGWSA-LBPRGKRZSA-N 1 0 366.259 2.252 20 30 FEEDRO C[C@H]1C[C@@H](NC(=O)COc2ccc(C#N)c(Br)c2)CC[N@@H+]1C ZINC000449943190 560245896 /nfs/dbraw/zinc/24/58/96/560245896.db2.gz YHBQHRIBCFXCRC-AAEUAGOBSA-N 1 0 366.259 2.298 20 30 FEEDRO C[C@@H]1C[N@@H+](C)C[C@H](C)N1C(=O)COc1cccc(Br)c1C#N ZINC000450245220 560255341 /nfs/dbraw/zinc/25/53/41/560255341.db2.gz XJMSZCFEOFPDJK-TXEJJXNPSA-N 1 0 366.259 2.251 20 30 FEEDRO C[C@@H]1CN(C(=O)COc2ccc(C#N)c(Br)c2)[C@@H](C)C[N@@H+]1C ZINC000450346687 560259321 /nfs/dbraw/zinc/25/93/21/560259321.db2.gz FPFQZWZHMHQFSB-NEPJUHHUSA-N 1 0 366.259 2.251 20 30 FEEDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)COc1ccc(C#N)c(Br)c1 ZINC000450346690 560259372 /nfs/dbraw/zinc/25/93/72/560259372.db2.gz FPFQZWZHMHQFSB-VXGBXAGGSA-N 1 0 366.259 2.251 20 30 FEEDRO C[C@@H]1[C@@H](NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CCC[N@@H+]1C ZINC000450559069 560266158 /nfs/dbraw/zinc/26/61/58/560266158.db2.gz XJUKLYHBRHYKMI-MRRJBJDNSA-N 1 0 374.872 2.163 20 30 FEEDRO N#Cc1ccc(C(F)(F)F)c(N2CC[NH+]([C@@H]3CCNC(=O)CC3)CC2)c1 ZINC000450895048 560277245 /nfs/dbraw/zinc/27/72/45/560277245.db2.gz WPLKLTNPKNCXAZ-AWEZNQCLSA-N 1 0 366.387 2.368 20 30 FEEDRO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CC[C@@H](Oc2cccnc2N(C)C)C1 ZINC000451026597 560283111 /nfs/dbraw/zinc/28/31/11/560283111.db2.gz LOSHBMGBVPZVSZ-IAGOWNOFSA-N 1 0 358.486 2.190 20 30 FEEDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)S(=O)(=O)c1ccc(CC#N)cc1Cl ZINC000451238806 560295003 /nfs/dbraw/zinc/29/50/03/560295003.db2.gz DXPDJKIYTBXUEY-DOMZBBRYSA-N 1 0 355.891 2.367 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]CC(=O)NCCOc1ccc(C(F)(F)F)cc1 ZINC000451601575 560316802 /nfs/dbraw/zinc/31/68/02/560316802.db2.gz ASIDGAHUYCIWFY-CABCVRRESA-N 1 0 358.360 2.134 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]CC(=O)NCCc1ccc(OC(F)(F)F)cc1 ZINC000451603472 560316806 /nfs/dbraw/zinc/31/68/06/560316806.db2.gz CPKUMCQTNZIMJR-CABCVRRESA-N 1 0 358.360 2.177 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]CC(=O)N1CCC[C@@H]1c1ccc(OC)cc1OC ZINC000451608815 560317350 /nfs/dbraw/zinc/31/73/50/560317350.db2.gz UGJQIEVFKYVBNM-KURKYZTESA-N 1 0 360.454 2.300 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]CCC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000451672407 560321211 /nfs/dbraw/zinc/32/12/11/560321211.db2.gz IAFLBFWBFMUSJU-MOPGFXCFSA-N 1 0 361.461 2.188 20 30 FEEDRO CC(C)[C@@](C)(C#N)NC(=O)CN1CC[N@H+](Cc2ccccc2)C[C@H](C)C1 ZINC000451706004 560323554 /nfs/dbraw/zinc/32/35/54/560323554.db2.gz JFOKBTBWXOAHKZ-GHTZIAJQSA-N 1 0 356.514 2.495 20 30 FEEDRO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1C[C@@H](c2ccccc2)[C@H](C(=O)OC)C1 ZINC000451996051 560343738 /nfs/dbraw/zinc/34/37/38/560343738.db2.gz PBYPZIIMWGKZII-YTQUADARSA-N 1 0 356.466 2.464 20 30 FEEDRO C[N@H+](C[C@@H](O)COc1ccc(C#N)cc1)C1CCN(CC(F)(F)F)CC1 ZINC000452033380 560346788 /nfs/dbraw/zinc/34/67/88/560346788.db2.gz CDWXEXZKCMZGAE-MRXNPFEDSA-N 1 0 371.403 2.256 20 30 FEEDRO CC(C)(C[NH+]1CCCC1)NCC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000452091930 560350768 /nfs/dbraw/zinc/35/07/68/560350768.db2.gz CIXTZNXYDHYWRG-UHFFFAOYSA-N 1 0 366.469 2.146 20 30 FEEDRO C=CCn1c(-c2nnn(C)c2C)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC000453415273 560386091 /nfs/dbraw/zinc/38/60/91/560386091.db2.gz RJUCUJZLLQLYLF-UHFFFAOYSA-N 1 0 372.521 2.126 20 30 FEEDRO C=C(C)Cn1c([C@H]2CCCO2)nnc1N1CC[N@H+](CCOC)[C@H](CC)C1 ZINC000453465849 560387388 /nfs/dbraw/zinc/38/73/88/560387388.db2.gz NJEAQPJDXXCNNG-IAGOWNOFSA-N 1 0 363.506 2.253 20 30 FEEDRO Cc1nc(NC(=O)C(=O)NC[C@H](C(C)C)[NH+]2CCCCCC2)ccc1C#N ZINC000453574022 560389115 /nfs/dbraw/zinc/38/91/15/560389115.db2.gz PZRPYNPMAIBGDM-QGZVFWFLSA-N 1 0 371.485 2.217 20 30 FEEDRO Cc1cc(C#N)cc(NC(=O)C(=O)NC[C@]2([NH+](C)C)CCC[C@H](C)C2)c1 ZINC000453602379 560390688 /nfs/dbraw/zinc/39/06/88/560390688.db2.gz JRBOKMQGJHKSTO-XOBRGWDASA-N 1 0 356.470 2.432 20 30 FEEDRO Cc1cc(C#N)cc(NC(=O)C(=O)NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)c1 ZINC000453602377 560390774 /nfs/dbraw/zinc/39/07/74/560390774.db2.gz JRBOKMQGJHKSTO-VBKZILBWSA-N 1 0 356.470 2.432 20 30 FEEDRO C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)Nc2ccc(CC#N)cc2Cl)C1 ZINC000453608146 560390956 /nfs/dbraw/zinc/39/09/56/560390956.db2.gz OQDQVAAIXZORJJ-CYBMUJFWSA-N 1 0 362.861 2.193 20 30 FEEDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)Nc1cccc(CC#N)c1 ZINC000453613684 560391378 /nfs/dbraw/zinc/39/13/78/560391378.db2.gz NUJKAAMYSJLPHN-XHSDSOJGSA-N 1 0 356.470 2.174 20 30 FEEDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)Nc2cccc(CC#N)c2)C1 ZINC000453629499 560391989 /nfs/dbraw/zinc/39/19/89/560391989.db2.gz XXGMJKYPUDLQEM-OAHLLOKOSA-N 1 0 356.470 2.318 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc3c(c2)CCCC3=O)CC1 ZINC000453650486 560393489 /nfs/dbraw/zinc/39/34/89/560393489.db2.gz ZYVQGIJEALGWCF-UHFFFAOYSA-N 1 0 369.465 2.301 20 30 FEEDRO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)C(=O)Nc2ccc(CC#N)cc2Cl)C1 ZINC000453665637 560394813 /nfs/dbraw/zinc/39/48/13/560394813.db2.gz GUBHGGTYIYCGMR-WBMJQRKESA-N 1 0 362.861 2.189 20 30 FEEDRO CC1=CC[N@H+](CCNC(=O)C(=O)Nc2ccc(CC#N)cc2Cl)CC1 ZINC000453686761 560396652 /nfs/dbraw/zinc/39/66/52/560396652.db2.gz IXDJTDXEWVHTHK-UHFFFAOYSA-N 1 0 360.845 2.113 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1NC(=O)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000453946632 560415595 /nfs/dbraw/zinc/41/55/95/560415595.db2.gz LQGZYUPTVFYAGS-MOPGFXCFSA-N 1 0 371.481 2.113 20 30 FEEDRO C=C(CC)CNC(=O)C(=O)Nc1ccccc1CN1C[C@@H](C)O[C@H](C)C1 ZINC000454022269 560422638 /nfs/dbraw/zinc/42/26/38/560422638.db2.gz DNRCQMVOCWXHIT-HZPDHXFCSA-N 1 0 359.470 2.317 20 30 FEEDRO CC(C)Oc1ccc(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)cc1C#N ZINC000454103532 560429492 /nfs/dbraw/zinc/42/94/92/560429492.db2.gz PMKNXHDSZVPTCG-QGZVFWFLSA-N 1 0 372.469 2.225 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1NC(=O)N[C@@H]1CC[N@@H+](CCCOCC)C[C@H]1C ZINC000454532741 560448495 /nfs/dbraw/zinc/44/84/95/560448495.db2.gz ZBHPTWICRYAILW-TVFCKZIOSA-N 1 0 353.507 2.156 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1NC(=O)N[C@H]1CC[N@@H+](CCCOCC)C[C@@H]1C ZINC000454532739 560448538 /nfs/dbraw/zinc/44/85/38/560448538.db2.gz ZBHPTWICRYAILW-FJIDUMEYSA-N 1 0 353.507 2.156 20 30 FEEDRO C=C[C@@H](C)NC(=O)NCC1([NH+]2CCN(c3ccccc3)CC2)CCOCC1 ZINC000454653349 560453114 /nfs/dbraw/zinc/45/31/14/560453114.db2.gz BEZFQJAVXPEQKB-GOSISDBHSA-N 1 0 372.513 2.232 20 30 FEEDRO CC[NH+]1CCN(CCCNC(=O)C(C)(C)Cc2ccc(C#N)cc2)CC1 ZINC000454713094 560455432 /nfs/dbraw/zinc/45/54/32/560455432.db2.gz KZYQZHOHMDNUIX-UHFFFAOYSA-N 1 0 356.514 2.271 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)c2ccc(I)cn2)CC1 ZINC000455492537 560484401 /nfs/dbraw/zinc/48/44/01/560484401.db2.gz WNCFCQKEWNXZBO-UHFFFAOYSA-N 1 0 371.222 2.066 20 30 FEEDRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)NCc2ccc(C#N)c(F)c2)C1 ZINC000455551433 560486708 /nfs/dbraw/zinc/48/67/08/560486708.db2.gz XSHZERCCGHAHHS-KRWDZBQOSA-N 1 0 362.449 2.340 20 30 FEEDRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 ZINC000455806326 560495279 /nfs/dbraw/zinc/49/52/79/560495279.db2.gz YADDCKSSKPDXHJ-OAHLLOKOSA-N 1 0 373.501 2.493 20 30 FEEDRO C=CCC[C@@H](NC(=O)c1cccc(CN2CC[NH+](C)CC2)c1)C(=O)OCC ZINC000456625424 560526270 /nfs/dbraw/zinc/52/62/70/560526270.db2.gz KBHZRFMSSRJVJE-LJQANCHMSA-N 1 0 373.497 2.062 20 30 FEEDRO Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NC(C)(C)C[NH+]1CCCC1 ZINC000457018032 560543985 /nfs/dbraw/zinc/54/39/85/560543985.db2.gz CXJPCDNAZYLDJT-UHFFFAOYSA-N 1 0 368.485 2.141 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1NC(=O)NC[C@@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC000457481999 560569865 /nfs/dbraw/zinc/56/98/65/560569865.db2.gz KTYUAUNOASSDJC-QYZOEREBSA-N 1 0 359.470 2.475 20 30 FEEDRO C[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)c1ccn(C)n1 ZINC000459318977 560679546 /nfs/dbraw/zinc/67/95/46/560679546.db2.gz ZZSYBFJCBBPGMW-HNNXBMFYSA-N 1 0 354.458 2.126 20 30 FEEDRO N#C[C@H]1CCC[C@H]1NCC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000459444842 560686748 /nfs/dbraw/zinc/68/67/48/560686748.db2.gz BFRPCDWRBAXIIO-SJLPKXTDSA-N 1 0 358.511 2.456 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cc3oc(=O)n(C)c3cc2F)CC1 ZINC000459695208 560702567 /nfs/dbraw/zinc/70/25/67/560702567.db2.gz OQSWEEBDVZUTBU-UHFFFAOYSA-N 1 0 362.405 2.433 20 30 FEEDRO C=CCN(C)C(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000460059347 560732239 /nfs/dbraw/zinc/73/22/39/560732239.db2.gz JSEXEQZTSCBUPG-UHFFFAOYSA-N 1 0 371.403 2.240 20 30 FEEDRO CCCN(CCN1CC[NH+](CC)CC1)C(=O)NCc1cccc(C#N)c1 ZINC000460169072 560736949 /nfs/dbraw/zinc/73/69/49/560736949.db2.gz KMLINATUFDTLRO-UHFFFAOYSA-N 1 0 357.502 2.117 20 30 FEEDRO C=C(C)Cn1c(C(=O)NC(CC)CC)nnc1N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000460804419 560752276 /nfs/dbraw/zinc/75/22/76/560752276.db2.gz PWWCVZACNOMMHW-QGZVFWFLSA-N 1 0 374.533 2.446 20 30 FEEDRO CC[NH+](CC)CCOc1ccccc1NC(=O)C(=O)N[C@@H]1CCC[C@H]1C#N ZINC000461781043 560783245 /nfs/dbraw/zinc/78/32/45/560783245.db2.gz ZOHKRFAOXTVIJR-JKSUJKDBSA-N 1 0 372.469 2.154 20 30 FEEDRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)N[C@H]2CCC[C@H]2C#N)CC1 ZINC000461962761 560789834 /nfs/dbraw/zinc/78/98/34/560789834.db2.gz GZCVCUOPCKTHSC-PXNSSMCTSA-N 1 0 369.513 2.316 20 30 FEEDRO C[N@H+](CCNC(=O)C1CCN(C(=O)CCCC#N)CC1)Cc1ccccc1 ZINC000462156633 560799384 /nfs/dbraw/zinc/79/93/84/560799384.db2.gz PYMGCGRUGCJFQN-UHFFFAOYSA-N 1 0 370.497 2.167 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N(C)Cc2nc([C@@H](C)OCC)no2)CC1 ZINC000465860182 560874187 /nfs/dbraw/zinc/87/41/87/560874187.db2.gz NARQSBWEABTCFV-CQSZACIVSA-N 1 0 365.478 2.349 20 30 FEEDRO C[C@@H]1C[C@H](NC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)CC[N@@H+]1C ZINC000466040745 560878814 /nfs/dbraw/zinc/87/88/14/560878814.db2.gz VFURQYKZUALQMQ-GDBMZVCRSA-N 1 0 359.449 2.012 20 30 FEEDRO COc1c[nH+]ccc1N1CCN(C(=O)NCCc2cccc(C#N)c2)CC1 ZINC000466815844 560896481 /nfs/dbraw/zinc/89/64/81/560896481.db2.gz NAGVWJDUWJHGCO-UHFFFAOYSA-N 1 0 365.437 2.036 20 30 FEEDRO C=CC[C@H](CO)[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000467412544 560909653 /nfs/dbraw/zinc/90/96/53/560909653.db2.gz SOTQMXYXJJGMGK-YPMHNXCESA-N 1 0 360.273 2.194 20 30 FEEDRO C=CCN1C(=O)c2ccc(C(=O)N(C)CCC[NH+]3CCCC3)cc2C1=O ZINC000467677906 560914836 /nfs/dbraw/zinc/91/48/36/560914836.db2.gz JXLPBPFGCVHSLO-UHFFFAOYSA-N 1 0 355.438 2.027 20 30 FEEDRO CC[N@H+](CCO)CCNC(=O)c1cccc(Nc2ccc(C#N)cc2)c1 ZINC000470593363 560985262 /nfs/dbraw/zinc/98/52/62/560985262.db2.gz YOMONFWGCXNSJP-UHFFFAOYSA-N 1 0 352.438 2.346 20 30 FEEDRO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCc3nn[nH]c3C1)CCCCC2 ZINC000472776700 561035060 /nfs/dbraw/zinc/03/50/60/561035060.db2.gz XLSSYTPNCSUATF-UHFFFAOYSA-N 1 0 370.482 2.394 20 30 FEEDRO C=CCCCCNC(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000474048519 561064362 /nfs/dbraw/zinc/06/43/62/561064362.db2.gz XISUHMGWPDHNMA-UHFFFAOYSA-N 1 0 352.523 2.269 20 30 FEEDRO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N[C@H]1CC[N@@H+](CCOC)C1 ZINC000475269214 561093806 /nfs/dbraw/zinc/09/38/06/561093806.db2.gz KULWOFOQUSSIQC-KRWDZBQOSA-N 1 0 373.497 2.314 20 30 FEEDRO Cn1ncc(C(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)c1C#N ZINC000476240020 561114281 /nfs/dbraw/zinc/11/42/81/561114281.db2.gz RXZMLHBBMUSOIK-OAQYLSRUSA-N 1 0 363.465 2.420 20 30 FEEDRO O=C1c2ccccc2C(=O)N1CC#CC[N@@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000528400454 562327086 /nfs/dbraw/zinc/32/70/86/562327086.db2.gz OPORSRVWCZLBEE-OAQYLSRUSA-N 1 0 352.434 2.179 20 30 FEEDRO COc1cccc([C@@H]2CN(C[C@H](O)COc3ccccc3C#N)CCO2)c1 ZINC000528405531 562327200 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C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000528728081 562344382 /nfs/dbraw/zinc/34/43/82/562344382.db2.gz LIPVSGLGHODKEC-MRXNPFEDSA-N 1 0 356.470 2.072 20 30 FEEDRO COCc1ccc(NC(=O)N2CC[N@@H+](C3CCOCC3)C[C@H]2C)cc1C#N ZINC000529206866 562364759 /nfs/dbraw/zinc/36/47/59/562364759.db2.gz YNJJSJFANUXQJI-OAHLLOKOSA-N 1 0 372.469 2.422 20 30 FEEDRO COc1cc(C#N)ccc1OCC(=O)NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000529719713 562382524 /nfs/dbraw/zinc/38/25/24/562382524.db2.gz OZHATUWEEWSBIH-QGZVFWFLSA-N 1 0 357.454 2.469 20 30 FEEDRO C=CCN1C(=O)c2ccc(C(=O)NC[C@@H]3CC[N@@H+]3C3CCCC3)cc2C1=O ZINC000530026664 562395054 /nfs/dbraw/zinc/39/50/54/562395054.db2.gz NDNXBLDCHISIER-INIZCTEOSA-N 1 0 367.449 2.215 20 30 FEEDRO Cc1ccc(S(C)(=O)=O)cc1NC(=O)N(CCC#N)CCC[NH+](C)C ZINC000530780212 562423796 /nfs/dbraw/zinc/42/37/96/562423796.db2.gz MMNDJKPOEKBQCP-UHFFFAOYSA-N 1 0 366.487 2.098 20 30 FEEDRO CC(C)(C)OC(=O)C[C@H]1CCCN(CC(=O)N(CCC#N)CCC#N)C1 ZINC000531614929 562451639 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C=C(C)COc1cc(C[NH+]2CCC([C@H](O)C(=O)OC)CC2)ccc1OC ZINC000535814889 562568746 /nfs/dbraw/zinc/56/87/46/562568746.db2.gz LDJKVWPNGDHKDS-IBGZPJMESA-N 1 0 363.454 2.396 20 30 FEEDRO COC(=O)CC[N@@H+]1CCN(Cc2ccc(C#N)cc2OC(F)F)[C@@H](C)C1 ZINC000537118454 562585845 /nfs/dbraw/zinc/58/58/45/562585845.db2.gz MRMGWTYARQMGNF-ZDUSSCGKSA-N 1 0 367.396 2.229 20 30 FEEDRO N#CC1(NC(=O)[C@H]2CC23CCOCC3)CC[NH+](Cc2ccccc2)CC1 ZINC000540898047 562595972 /nfs/dbraw/zinc/59/59/72/562595972.db2.gz SKPFZGIMJLNYHJ-GOSISDBHSA-N 1 0 353.466 2.478 20 30 FEEDRO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2C[C@@H]3CC[C@H](O)[C@H]3C2)cc1 ZINC000541315272 562608740 /nfs/dbraw/zinc/60/87/40/562608740.db2.gz AMTZXAIDCOWHFR-SNRMKQJTSA-N 1 0 357.454 2.035 20 30 FEEDRO CC[NH+](CC)[C@H](CNC(=O)C(=O)Nc1ccc(C#N)cc1OC)CC(C)C ZINC000546005539 562632611 /nfs/dbraw/zinc/63/26/11/562632611.db2.gz PANBMKLJFRTHHT-INIZCTEOSA-N 1 0 374.485 2.378 20 30 FEEDRO N#CCCN1CCN(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)CC1 ZINC000602224087 567957122 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FEEDRO N#CCCN(C(=O)C[NH2+][C@H]([C@@H]1CCCO1)C1(CO)CCC1)c1ccccc1 ZINC000602894579 568013834 /nfs/dbraw/zinc/01/38/34/568013834.db2.gz XXQGLQXGEQSDLE-AZUAARDMSA-N 1 0 371.481 2.233 20 30 FEEDRO COc1ccc(N2C[C@H]([NH2+][C@@H](C)CC3(C#N)CCOCC3)CC2=O)cc1 ZINC000602709899 568018723 /nfs/dbraw/zinc/01/87/23/568018723.db2.gz JPPZFKBYMPPMDM-JKSUJKDBSA-N 1 0 357.454 2.489 20 30 FEEDRO Cc1cc(C#N)cnc1C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000568417174 568032233 /nfs/dbraw/zinc/03/22/33/568032233.db2.gz VXFMHDKGPQCQTP-UHFFFAOYSA-N 1 0 359.433 2.481 20 30 FEEDRO CC[N@H+](CCNC(=O)C(=O)Nc1scc(C(C)(C)C)c1C#N)C1CC1 ZINC000568492478 568043412 /nfs/dbraw/zinc/04/34/12/568043412.db2.gz PXZVFAPRHWRDQQ-UHFFFAOYSA-N 1 0 362.499 2.456 20 30 FEEDRO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)n1cc(C[NH2+]C2CC2)nn1 ZINC000603195670 568072642 /nfs/dbraw/zinc/07/26/42/568072642.db2.gz IWDQFRPQTNFYKV-CQSZACIVSA-N 1 0 368.441 2.047 20 30 FEEDRO Cc1cccc(N(CCC#N)C(=O)Cn2cc(C3CC[NH2+]CC3)nn2)c1C ZINC000603205871 568073456 /nfs/dbraw/zinc/07/34/56/568073456.db2.gz CIYUVMNRKKIGDO-UHFFFAOYSA-N 1 0 366.469 2.309 20 30 FEEDRO Cn1cc(C(=O)Nc2cccc(CN3CCOCC3)c2)c([C@@H]2CCOC2)n1 ZINC000330343645 568268027 /nfs/dbraw/zinc/26/80/27/568268027.db2.gz CDVDPKIMWUOCQQ-MRXNPFEDSA-N 1 0 370.453 2.393 20 30 FEEDRO CN(C)CC[N@H+](C)CCCNc1c(C#N)cnc2c(F)c(F)c(F)cc21 ZINC000569042731 568278404 /nfs/dbraw/zinc/27/84/04/568278404.db2.gz NXRPMAOVHZDTFZ-UHFFFAOYSA-N 1 0 365.403 2.241 20 30 FEEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)C[NH2+]C2(CO)CCOCC2)c1C#N ZINC000609488198 568361678 /nfs/dbraw/zinc/36/16/78/568361678.db2.gz MRVALWQSZCQGTI-UHFFFAOYSA-N 1 0 374.485 2.161 20 30 FEEDRO C[C@H]([NH3+])c1ccc(CNC(=O)N2CCN(c3cnccc3C#N)CC2)cc1 ZINC000569323263 568376755 /nfs/dbraw/zinc/37/67/55/568376755.db2.gz ARPCSFLQIUKDAS-HNNXBMFYSA-N 1 0 364.453 2.005 20 30 FEEDRO Cc1nsc(N2CCN(C(=O)Nc3cc(C)cc(C[NH3+])c3)CC2)c1C#N ZINC000569567903 568408079 /nfs/dbraw/zinc/40/80/79/568408079.db2.gz PYLGDRPMLUZIJG-UHFFFAOYSA-N 1 0 370.482 2.444 20 30 FEEDRO Cc1cc(C#N)cnc1C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000569870388 568432145 /nfs/dbraw/zinc/43/21/45/568432145.db2.gz AWDZTQNJWUJIRE-UHFFFAOYSA-N 1 0 363.465 2.204 20 30 FEEDRO CN1CC[C@H](NS(=O)(=O)c2ccc(C#N)c(F)c2)[C@H]1c1ccccc1 ZINC000569994131 568447723 /nfs/dbraw/zinc/44/77/23/568447723.db2.gz PMWJWIVHRNEUMT-ZWKOTPCHSA-N 1 0 359.426 2.421 20 30 FEEDRO CC[C@H](C)[NH2+][C@@H](CNC(=O)C(=O)Nc1ccc(C#N)c(F)c1)c1ccco1 ZINC000570892516 568613307 /nfs/dbraw/zinc/61/33/07/568613307.db2.gz RCWJIZPCHHVVDH-LRDDRELGSA-N 1 0 372.400 2.474 20 30 FEEDRO C[C@H]1C[N@H+](Cc2ccccc2-c2nn[nH]n2)CCN1Cc1ccccc1C#N ZINC000737196415 598899434 /nfs/dbraw/zinc/89/94/34/598899434.db2.gz HRMIEHBFWHXQPK-INIZCTEOSA-N 1 0 373.464 2.445 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cccc(-c3nn[nH]n3)c2C)CC1 ZINC000819722200 607280300 /nfs/dbraw/zinc/28/03/00/607280300.db2.gz CALMWCKXLCCTFG-UHFFFAOYSA-N 1 0 355.446 2.337 20 30 FEEDRO C[C@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)c1ccc(N(C)C)cc1 ZINC000808747777 674470644 /nfs/dbraw/zinc/47/06/44/674470644.db2.gz BXQBKJWJSIUGAL-AWEZNQCLSA-N 1 0 358.467 2.144 20 30 FEEDRO CSC1(CNS(=O)(=O)CC2(C#N)CCCCC2)CC[NH+](C)CC1 ZINC000558483180 674499373 /nfs/dbraw/zinc/49/93/73/674499373.db2.gz CRLBHCDNYLWSIR-UHFFFAOYSA-N 1 0 359.561 2.207 20 30 FEEDRO C#CC[N@H+]1CCC[C@@H]1COC(=O)[C@@H](NC(=O)OC(C)(C)C)C(F)(F)F ZINC000810573472 674550973 /nfs/dbraw/zinc/55/09/73/674550973.db2.gz RDMSRXXMCRHBCE-VXGBXAGGSA-N 1 0 364.364 2.083 20 30 FEEDRO C[C@H]([NH2+]CCC(=O)Nc1cccc(C#N)c1)c1cccc(-c2nn[nH]n2)c1 ZINC000824584693 608490759 /nfs/dbraw/zinc/49/07/59/608490759.db2.gz DYRDDVFRWYHIII-ZDUSSCGKSA-N 1 0 361.409 2.418 20 30 FEEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(-c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000823850955 609450141 /nfs/dbraw/zinc/45/01/41/609450141.db2.gz WELHTVXCSQOISN-HUUCEWRRSA-N 1 0 374.448 2.322 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CCCc2cc(S(N)(=O)=O)ccc21 ZINC000559841934 674558132 /nfs/dbraw/zinc/55/81/32/674558132.db2.gz KAIWGVUIIUUQGA-OLMNPRSZSA-N 1 0 350.484 2.282 20 30 FEEDRO C=CCc1cc(C[N@@H+]2CCC[C@H](CS(C)(=O)=O)C2)c(O)c(OC)c1 ZINC000814226805 674827050 /nfs/dbraw/zinc/82/70/50/674827050.db2.gz KCBLFDQNIOIWGH-HNNXBMFYSA-N 1 0 353.484 2.386 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCC([NH2+]CCOC)CC1 ZINC000563271154 674867274 /nfs/dbraw/zinc/86/72/74/674867274.db2.gz MIXOHACGVRICDV-INIZCTEOSA-N 1 0 365.543 2.352 20 30 FEEDRO CC(=NNS(=O)(=O)c1ccc(C)cc1)c1ccc2c(c1)CC[NH2+]CC2 ZINC000814692792 674875467 /nfs/dbraw/zinc/87/54/67/674875467.db2.gz CZRSRTWIYSMPII-UHFFFAOYSA-N 1 0 357.479 2.386 20 30 FEEDRO C#CC[N@H+](C)CCCNS(=O)(=O)/C=C/c1cccc(Br)c1 ZINC000815083268 674914508 /nfs/dbraw/zinc/91/45/08/674914508.db2.gz VBOZAENKIZNTSP-XYOKQWHBSA-N 1 0 371.300 2.294 20 30 FEEDRO C#CCN(C)CCC[NH2+][C@@H](C)c1ccc(S(=O)(=O)N(CC)CC)cc1 ZINC000815652304 674963353 /nfs/dbraw/zinc/96/33/53/674963353.db2.gz XGFQPSSZKNGINP-KRWDZBQOSA-N 1 0 365.543 2.323 20 30 FEEDRO N#Cc1ccc(NC(=O)C[N@@H+]2C[C@H](O)C[C@H]2[C@H]2CCCOC2)cc1Cl ZINC000564289256 674990846 /nfs/dbraw/zinc/99/08/46/674990846.db2.gz YMRQJGXHDHTQGB-LXZKKBNFSA-N 1 0 363.845 2.012 20 30 FEEDRO N#Cc1ccc(NC(=O)C[N@@H+]2C[C@H](O)C[C@H]2[C@@H]2CCCOC2)cc1Cl ZINC000564289257 674990913 /nfs/dbraw/zinc/99/09/13/674990913.db2.gz YMRQJGXHDHTQGB-UNEWFSDZSA-N 1 0 363.845 2.012 20 30 FEEDRO CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)CCN1c1snc(Cl)c1C#N ZINC001048710789 675013374 /nfs/dbraw/zinc/01/33/74/675013374.db2.gz IOABFOYHSGPXPU-WCFLWFBJSA-N 1 0 367.906 2.093 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](C[C@H]3CCC(F)(F)C3)C[C@@H]2C1 ZINC001049068515 675022261 /nfs/dbraw/zinc/02/22/61/675022261.db2.gz WJRINBSWPLMMKW-SIRPWMCASA-N 1 0 354.441 2.403 20 30 FEEDRO N#CCCC[C@@H]([NH3+])C(=O)Nc1cc(-c2ccc(Cl)cc2)nn1CCO ZINC000564898034 675073148 /nfs/dbraw/zinc/07/31/48/675073148.db2.gz DHNJNMVBFMXRAD-CQSZACIVSA-N 1 0 361.833 2.155 20 30 FEEDRO O=S1(=O)CC[C@@H](CNC(NC2CCCC2)=[NH+]CC2CCCCC2)C1 ZINC000073459611 670502732 /nfs/dbraw/zinc/50/27/32/670502732.db2.gz ABOZRIWJFOCVQO-INIZCTEOSA-N 1 0 355.548 2.479 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)NC[C@@H](O)c2c(Cl)cccc2Cl)CC1 ZINC000077647473 670570612 /nfs/dbraw/zinc/57/06/12/670570612.db2.gz KPZMFLKXUVWXQP-OAHLLOKOSA-N 1 0 355.265 2.488 20 30 FEEDRO C[N@H+](CCCc1[nH]nc(N)c1C#N)CCC(=O)Nc1ccc(Cl)cc1 ZINC000569809253 670616118 /nfs/dbraw/zinc/61/61/18/670616118.db2.gz VGEBCZNZTMAWFY-UHFFFAOYSA-N 1 0 360.849 2.410 20 30 FEEDRO CCCCOCCCNC1=[NH+]C[C@@H]2CN(C(=O)OC(C)(C)C)CCN12 ZINC000089119982 670694378 /nfs/dbraw/zinc/69/43/78/670694378.db2.gz DKUWATYFKFEKIB-OAHLLOKOSA-N 1 0 354.495 2.074 20 30 FEEDRO C=C(Br)CNC(=O)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000105196685 670798657 /nfs/dbraw/zinc/79/86/57/670798657.db2.gz UPRBLJFTWHFOPG-GJZGRUSLSA-N 1 0 373.339 2.095 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)NC[C@H]2CCC[N@@H+]2CC2CCCCC2)cn1 ZINC000109136255 670837869 /nfs/dbraw/zinc/83/78/69/670837869.db2.gz QJOCLOHMRAXBTC-QGZVFWFLSA-N 1 0 362.499 2.276 20 30 FEEDRO C[C@@H](ON=C(N)C[NH+]1CCCCCC1)C(=O)Nc1ccc(F)cc1F ZINC000113250110 670882631 /nfs/dbraw/zinc/88/26/31/670882631.db2.gz ILVLSMIKQGNPJA-GFCCVEGCSA-N 1 0 354.401 2.457 20 30 FEEDRO C[C@H](ON=C(N)C[NH+]1CCCCCC1)C(=O)Nc1cc(F)ccc1F ZINC000113250045 670882757 /nfs/dbraw/zinc/88/27/57/670882757.db2.gz GCBLGHDXGQCEDR-LBPRGKRZSA-N 1 0 354.401 2.457 20 30 FEEDRO C=CCN1CCC([NH2+]C[C@@H](O)COc2ccc(Br)cc2)CC1 ZINC000574313281 671225437 /nfs/dbraw/zinc/22/54/37/671225437.db2.gz SCZMZOSNSSJPGO-MRXNPFEDSA-N 1 0 369.303 2.429 20 30 FEEDRO COc1cc(Br)ccc1[C@H](C)[NH2+]C[C@H](O)CN(C)CCC#N ZINC000566124972 675183992 /nfs/dbraw/zinc/18/39/92/675183992.db2.gz MCSOLCRJZGKAGN-JSGCOSHPSA-N 1 0 370.291 2.315 20 30 FEEDRO CN(C)CC[C@@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)C(C)(C)C ZINC000575796531 671321557 /nfs/dbraw/zinc/32/15/57/671321557.db2.gz CXOMMCUBWAURMK-QGZVFWFLSA-N 1 0 351.516 2.288 20 30 FEEDRO C[C@H](CNc1nc2c(cc1C#N)COCC2)[N@@H+]1CCc2sccc2C1 ZINC000576075018 671342256 /nfs/dbraw/zinc/34/22/56/671342256.db2.gz WTJUVHTXNDXVSK-CYBMUJFWSA-N 1 0 354.479 2.946 20 30 FEEDRO CC[C@H](CC#N)NCC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000576954512 671407038 /nfs/dbraw/zinc/40/70/38/671407038.db2.gz MHWMTKORTLGENQ-CYBMUJFWSA-N 1 0 370.284 2.319 20 30 FEEDRO C[C@@H]([NH2+]C1(CNS(=O)(=O)N(C)CCC#N)CCCC1)c1ccccc1 ZINC000609465686 675922916 /nfs/dbraw/zinc/92/29/16/675922916.db2.gz HZNMQTNBAHCPNK-MRXNPFEDSA-N 1 0 364.515 2.330 20 30 FEEDRO CC(C)C[C@@H](CNS(=O)(=O)N(C)CCC#N)[NH2+][C@@H](C)c1ccccc1 ZINC000609545887 675925670 /nfs/dbraw/zinc/92/56/70/675925670.db2.gz RMEVTPTXJYFVEZ-WMZOPIPTSA-N 1 0 366.531 2.432 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+]CCC[C@H]2CCCC[C@H]2O)cc1 ZINC000579108413 671712570 /nfs/dbraw/zinc/71/25/70/671712570.db2.gz BYMAUIFOSDLBJY-SJLPKXTDSA-N 1 0 350.484 2.253 20 30 FEEDRO CC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)CC(=O)N(C)C ZINC000609845936 675939104 /nfs/dbraw/zinc/93/91/04/675939104.db2.gz YIFQIHMCQQAGIX-UHFFFAOYSA-N 1 0 362.499 2.237 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2CC[C@@H](c3ccc(F)cc3)[C@H]([NH3+])C2)cc1 ZINC000580213661 671790789 /nfs/dbraw/zinc/79/07/89/671790789.db2.gz CHJXEPGYSFWGHF-ZWKOTPCHSA-N 1 0 359.426 2.203 20 30 FEEDRO C[C@@H]([NH2+]C[C@H](O)CN(C)CCC#N)c1nc2ccccc2n1C(F)F ZINC000581006790 671854897 /nfs/dbraw/zinc/85/48/97/671854897.db2.gz QFFJZRHEJXIESQ-OLZOCXBDSA-N 1 0 351.401 2.288 20 30 FEEDRO Cc1nc(-c2ccc(C[NH2+]C[C@@H](O)CN(C)CCC#N)s2)cs1 ZINC000581297550 671882417 /nfs/dbraw/zinc/88/24/17/671882417.db2.gz AQNAPJMCNNXVAV-CYBMUJFWSA-N 1 0 350.513 2.476 20 30 FEEDRO C[C@@H](CC#N)N(C)S(=O)(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000581738088 671932360 /nfs/dbraw/zinc/93/23/60/671932360.db2.gz AQQODMQXOIYPAH-WFASDCNBSA-N 1 0 358.895 2.011 20 30 FEEDRO N#Cc1ccc(OC[C@H](O)C[NH2+]C[C@H](CO)c2ccccc2Cl)cc1 ZINC000581824226 671938495 /nfs/dbraw/zinc/93/84/95/671938495.db2.gz CGXNSRULKAICBG-HZPDHXFCSA-N 1 0 360.841 2.317 20 30 FEEDRO CC[NH+](CC)CC#C[C@@H](C)OC(=O)[C@@H]1CSCN1C(=O)C1CCCC1 ZINC000121352965 671947327 /nfs/dbraw/zinc/94/73/27/671947327.db2.gz CLFICQOZJTUENN-WBVHZDCISA-N 1 0 366.527 2.355 20 30 FEEDRO Cc1ccc(S(=O)(=O)C[C@@H](C)NC(=[NH2+])NCCc2ccccc2)cc1 ZINC000123176227 671976302 /nfs/dbraw/zinc/97/63/02/671976302.db2.gz PNWBSBZYTMNBAJ-MRXNPFEDSA-N 1 0 359.495 2.304 20 30 FEEDRO N#Cc1ccc(OC[C@@H](O)C[NH2+]CCc2nc3c(s2)CCCC3)cc1 ZINC000582600734 672017265 /nfs/dbraw/zinc/01/72/65/672017265.db2.gz AFXSIJICHJYKGW-HNNXBMFYSA-N 1 0 357.479 2.466 20 30 FEEDRO CC[NH+]=C(NC[C@@H]1CCCO[C@@H]1C(C)(C)C)N[C@@H]1CCC(=O)N(C)C1 ZINC000128618857 672051066 /nfs/dbraw/zinc/05/10/66/672051066.db2.gz CZGQSEPIPMUZSE-UXLLHSPISA-N 1 0 352.523 2.004 20 30 FEEDRO CC[C@@H]([NH2+]C[C@@H]1CCCCN1S(=O)(=O)N(C)C)c1ccc(C#N)cc1 ZINC000583170238 672069733 /nfs/dbraw/zinc/06/97/33/672069733.db2.gz QFXGQEJZLWYBQD-ZWKOTPCHSA-N 1 0 364.515 2.260 20 30 FEEDRO CC[NH+](CC)CC#C[C@@H](C)OC(=O)c1ccc(F)c(NS(C)(=O)=O)c1 ZINC000134027309 672118550 /nfs/dbraw/zinc/11/85/50/672118550.db2.gz PBHIYRYWLHYMGH-CYBMUJFWSA-N 1 0 370.446 2.088 20 30 FEEDRO C=C(Br)CN1CCC(C(=O)NCCC[NH+](CC)CC)CC1 ZINC000151005360 672155437 /nfs/dbraw/zinc/15/54/37/672155437.db2.gz CMCXPUJLMWHCNJ-UHFFFAOYSA-N 1 0 360.340 2.455 20 30 FEEDRO CCNC(=O)C(C)(C)CNC(=[NH2+])Nc1cc(OCC)ccc1OCC ZINC000157406012 672258228 /nfs/dbraw/zinc/25/82/28/672258228.db2.gz WIIYRCHLTVJTNW-UHFFFAOYSA-N 1 0 350.463 2.373 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C2CCN(C(=O)OCC(C)C)CC2)CC1 ZINC000171716624 672335090 /nfs/dbraw/zinc/33/50/90/672335090.db2.gz LOAPQOAUSJZEQO-UHFFFAOYSA-N 1 0 351.491 2.258 20 30 FEEDRO CC[NH+]=C(NCc1ccc(Cl)s1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000179203877 672399919 /nfs/dbraw/zinc/39/99/19/672399919.db2.gz RZAMLPMQDNSPOQ-UHFFFAOYSA-N 1 0 363.936 2.376 20 30 FEEDRO CN(CCC[N@H+](C)Cc1ccco1)S(=O)(=O)c1cccc(CC#N)c1 ZINC000586775985 672433720 /nfs/dbraw/zinc/43/37/20/672433720.db2.gz AKULVOJOJRIYIX-UHFFFAOYSA-N 1 0 361.467 2.488 20 30 FEEDRO CC(C)(CO)[NH+]1CCN(Cc2ccc(Br)cc2C#N)CC1 ZINC000588202761 672457468 /nfs/dbraw/zinc/45/74/68/672457468.db2.gz MNBWJWXTVYEGAA-UHFFFAOYSA-N 1 0 352.276 2.209 20 30 FEEDRO C[C@@H](CNC(=O)COc1cccc(Br)c1C#N)[NH+]1CCCC1 ZINC000590664933 672599333 /nfs/dbraw/zinc/59/93/33/672599333.db2.gz GOUONPYHGMUOTC-LBPRGKRZSA-N 1 0 366.259 2.300 20 30 FEEDRO N#Cc1cc(Cl)c(C(=O)N[C@@H](CO)C[NH+]2CCCCC2)c(Cl)c1 ZINC000591219252 672659252 /nfs/dbraw/zinc/65/92/52/672659252.db2.gz CEFYVEFHGKQTMV-GFCCVEGCSA-N 1 0 356.253 2.442 20 30 FEEDRO CC(C)[C@H]1CN(C(=O)C(=O)Nc2scc(C(C)(C)C)c2C#N)CC[NH2+]1 ZINC000591303537 672667516 /nfs/dbraw/zinc/66/75/16/672667516.db2.gz IRFARELNJHEJQM-CQSZACIVSA-N 1 0 362.499 2.312 20 30 FEEDRO CC(C)(C)c1ccc(S(=O)(=O)CC[NH2+]C2CCN(CC#N)CC2)cc1 ZINC000591736266 672706684 /nfs/dbraw/zinc/70/66/84/672706684.db2.gz MRDPZXQQNGKIGU-UHFFFAOYSA-N 1 0 363.527 2.335 20 30 FEEDRO CN1Cc2ccccc2[C@@H]([NH2+]CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000591757289 672708449 /nfs/dbraw/zinc/70/84/49/672708449.db2.gz JBTUOBUESYVNNJ-IBGZPJMESA-N 1 0 355.463 2.108 20 30 FEEDRO C=C[C@H](O)C(=O)N(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000611721933 676052018 /nfs/dbraw/zinc/05/20/18/676052018.db2.gz NUJDDXTXNIKKDH-CVEARBPZSA-N 1 0 356.388 2.446 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)NCCCN2CCCCCC2=O)CC1 ZINC000592291664 672782151 /nfs/dbraw/zinc/78/21/51/672782151.db2.gz DDUXZUVVPOHNNB-UHFFFAOYSA-N 1 0 350.507 2.119 20 30 FEEDRO CC[C@H]1CN(S(=O)(=O)c2cccc(Br)c2C#N)CC[C@H]1[NH3+] ZINC000592382167 672795358 /nfs/dbraw/zinc/79/53/58/672795358.db2.gz KOQSRLUGCWQQBP-GXFFZTMASA-N 1 0 372.288 2.069 20 30 FEEDRO CC[NH+]=C(NCC1CCN(S(C)(=O)=O)CC1)NC1CCC(C)(C)CC1 ZINC000261684541 672901331 /nfs/dbraw/zinc/90/13/31/672901331.db2.gz QXAXUDYJLSMFIH-UHFFFAOYSA-N 1 0 372.579 2.182 20 30 FEEDRO C[NH+]=C(NC[C@@H]1CCCCO1)N(C)Cc1cc(Br)cn1C ZINC000261694262 672901642 /nfs/dbraw/zinc/90/16/42/672901642.db2.gz FKYWYYYKZNOIMK-AWEZNQCLSA-N 1 0 357.296 2.364 20 30 FEEDRO CCc1nc(CNC(=[NH+]C)N2CC(=O)N(C(C)C)C(C)(C)C2)cs1 ZINC000261942858 672906168 /nfs/dbraw/zinc/90/61/68/672906168.db2.gz MWKGQBRAXJGXLV-UHFFFAOYSA-N 1 0 351.520 2.112 20 30 FEEDRO CC[NH+]=C(NCc1nccn1CC(F)(F)F)N1CC[C@]2(CCOC2)C1 ZINC000261992866 672906909 /nfs/dbraw/zinc/90/69/09/672906909.db2.gz RTPARYUNCOSKNH-HNNXBMFYSA-N 1 0 359.396 2.023 20 30 FEEDRO [NH2+]=C(NCCNC(=O)c1cccc(Br)c1)NC1CCCCC1 ZINC000261990135 672907077 /nfs/dbraw/zinc/90/70/77/672907077.db2.gz LKLGLBNZBXULIM-UHFFFAOYSA-N 1 0 367.291 2.416 20 30 FEEDRO CC[NH+]=C(NCC1CCN(S(C)(=O)=O)CC1)N1CCC(CC)(CC)C1 ZINC000262005391 672907280 /nfs/dbraw/zinc/90/72/80/672907280.db2.gz VNOFYGXTWQBCMB-UHFFFAOYSA-N 1 0 372.579 2.136 20 30 FEEDRO CC(C)C1CCC(NC(NC[C@@H]2CCS(=O)(=O)C2)=[NH+]C2CC2)CC1 ZINC000262340962 672913596 /nfs/dbraw/zinc/91/35/96/672913596.db2.gz CQERLWXHNIYELW-FHERZECASA-N 1 0 355.548 2.334 20 30 FEEDRO CC[NH+]=C(N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)N1CCC(C(=O)OC)CC1 ZINC000262407205 672915282 /nfs/dbraw/zinc/91/52/82/672915282.db2.gz OSQUXNFJBJKKHF-XHSDSOJGSA-N 1 0 351.491 2.041 20 30 FEEDRO C[NH+]=C(NCc1ccc(Br)s1)N1CCC(C(=O)OC)CC1 ZINC000262534642 672917494 /nfs/dbraw/zinc/91/74/94/672917494.db2.gz JJFHINROUHSSTK-UHFFFAOYSA-N 1 0 374.304 2.471 20 30 FEEDRO C[NH+]=C(NCC[S@](=O)C(C)(C)C)N1CCN(c2cccc(C)c2)CC1 ZINC000262802395 672921501 /nfs/dbraw/zinc/92/15/01/672921501.db2.gz RGIQAVYMXVNQHD-VWLOTQADSA-N 1 0 364.559 2.240 20 30 FEEDRO CC(C)NC(=[NH2+])NCc1c(Br)cncc1Br ZINC000263024011 672925786 /nfs/dbraw/zinc/92/57/86/672925786.db2.gz AGXWWDBXKVSJIM-UHFFFAOYSA-N 1 0 350.058 2.419 20 30 FEEDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)Cc1ccc(Br)cc1C#N ZINC000593572956 672947527 /nfs/dbraw/zinc/94/75/27/672947527.db2.gz QZELZPHDPLQFNW-NWDGAFQWSA-N 1 0 350.260 2.414 20 30 FEEDRO CCCCCCCCNC(=[NH2+])NCc1cccc(S(=O)(=O)NC)c1 ZINC000303894109 673018678 /nfs/dbraw/zinc/01/86/78/673018678.db2.gz OPVVSBBYKKITTD-UHFFFAOYSA-N 1 0 354.520 2.360 20 30 FEEDRO [NH2+]=C(NCC(=O)Nc1cccnc1)Nc1ccc(OC(F)(F)F)cc1 ZINC000303975041 673018860 /nfs/dbraw/zinc/01/88/60/673018860.db2.gz IMBDPYKPSZSGSW-UHFFFAOYSA-N 1 0 353.304 2.346 20 30 FEEDRO Cc1ccc(S(=O)(=O)NCCNC(=[NH2+])N[C@@H](C)CCCC(C)C)s1 ZINC000305211432 673021453 /nfs/dbraw/zinc/02/14/53/673021453.db2.gz POZCARSYMSYSLQ-ZDUSSCGKSA-N 1 0 374.576 2.454 20 30 FEEDRO CN(C(=O)c1ccc(Cl)c(C#N)c1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000612611343 676090374 /nfs/dbraw/zinc/09/03/74/676090374.db2.gz NMFDJGZEVNQZIB-QGZVFWFLSA-N 1 0 360.889 2.452 20 30 FEEDRO C[NH+](C)C[C@@H]1CN(S(=O)(=O)CC2(C#N)CCCC2)c2ccccc2O1 ZINC000612678448 676093223 /nfs/dbraw/zinc/09/32/23/676093223.db2.gz IPESPUICUJUZDH-OAHLLOKOSA-N 1 0 363.483 2.229 20 30 FEEDRO N#Cc1cc(NC(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)ccc1Cl ZINC000594325122 673058815 /nfs/dbraw/zinc/05/88/15/673058815.db2.gz BGXIHOCSKAIWIJ-HOTGVXAUSA-N 1 0 360.845 2.283 20 30 FEEDRO Cn1c2ccc(C(=O)NC[C@@H]3C[N@H+](C)CCN3C)cc2nc1C(F)F ZINC000328835092 673067553 /nfs/dbraw/zinc/06/75/53/673067553.db2.gz SFVBWSSBEDLOJQ-GFCCVEGCSA-N 1 0 351.401 2.061 20 30 FEEDRO O=C(CCNC(=O)N1CCC[C@H]([NH+]2CCCC2)C1)N1CCCCCC1 ZINC000328824554 673067578 /nfs/dbraw/zinc/06/75/78/673067578.db2.gz RPDMVPLZXRQUNK-KRWDZBQOSA-N 1 0 350.507 2.253 20 30 FEEDRO CO[C@H]1C[C@@H](C(=O)N[C@@H]2CCN(c3ccccc3Cl)C2=O)N(C)C1 ZINC000329012994 673070916 /nfs/dbraw/zinc/07/09/16/673070916.db2.gz IXBONTOWKHQAIO-LNSITVRQSA-N 1 0 351.834 2.121 20 30 FEEDRO CN(C(=O)[C@H]([NH3+])CCCCC#N)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000594433921 673071266 /nfs/dbraw/zinc/07/12/66/673071266.db2.gz IWXSQVQTKSEZLQ-ZBFHGGJFSA-N 1 0 362.861 2.315 20 30 FEEDRO C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@@H]2CCOC3(CCCCC3)C2)[C@@H](C)C1 ZINC000329301107 673074903 /nfs/dbraw/zinc/07/49/03/673074903.db2.gz VZYWNBADIWNRSM-YESZJQIVSA-N 1 0 353.507 2.169 20 30 FEEDRO O=C(NCC1CC[NH+](C2CC2)CC1)N1CC[C@H](C(F)(F)F)[C@H](CO)C1 ZINC000329379397 673076201 /nfs/dbraw/zinc/07/62/01/673076201.db2.gz MYFAATKYFPDBDU-ZFWWWQNUSA-N 1 0 363.424 2.268 20 30 FEEDRO N#Cc1ccc(F)c(CS(=O)(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC000594483472 673087214 /nfs/dbraw/zinc/08/72/14/673087214.db2.gz LJOUMGSRPPIIRK-IAGOWNOFSA-N 1 0 351.447 2.134 20 30 FEEDRO N#CC1(c2ccc(C[NH2+]CCNS(=O)(=O)c3cccs3)cc2)CC1 ZINC000594961422 673181150 /nfs/dbraw/zinc/18/11/50/673181150.db2.gz ZOKCXGMQMGGROW-UHFFFAOYSA-N 1 0 361.492 2.371 20 30 FEEDRO N#Cc1ccc(CC[NH2+][C@H]2CCCc3ccc(S(N)(=O)=O)cc32)cc1 ZINC000595055424 673189912 /nfs/dbraw/zinc/18/99/12/673189912.db2.gz COHRIIPZXRHJKP-IBGZPJMESA-N 1 0 355.463 2.415 20 30 FEEDRO C[C@@H]1CCN(S(=O)(=O)c2ccc(C#N)c(Br)c2)[C@H](C[NH3+])C1 ZINC000595117056 673196180 /nfs/dbraw/zinc/19/61/80/673196180.db2.gz DWBNQDHKGDKACX-PWSUYJOCSA-N 1 0 372.288 2.069 20 30 FEEDRO N#CCCC[C@H]([NH3+])C(=O)N1CCOC[C@@H]1c1cccc(Br)c1 ZINC000595256913 673214385 /nfs/dbraw/zinc/21/43/85/673214385.db2.gz FFZQOBBNHICSQA-LSDHHAIUSA-N 1 0 366.259 2.370 20 30 FEEDRO CCC[N@@H+]1CC[C@H](NS(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)C1 ZINC000595352689 673230717 /nfs/dbraw/zinc/23/07/17/673230717.db2.gz BHBIBASJMBBGOX-LBPRGKRZSA-N 1 0 361.389 2.340 20 30 FEEDRO N#Cc1cc(F)ccc1S(=O)(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000595409193 673245270 /nfs/dbraw/zinc/24/52/70/673245270.db2.gz BBBIAOLJPXZLCZ-AWEZNQCLSA-N 1 0 351.447 2.098 20 30 FEEDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CCC[C@@H](CC#N)C2)[C@@H](C)C1 ZINC000595512321 673259726 /nfs/dbraw/zinc/25/97/26/673259726.db2.gz XOPJYXUBHBDZDK-BZSNNMDCSA-N 1 0 350.507 2.459 20 30 FEEDRO C=CCN1C(=S)N=NC1Cc1csc(NC(=O)C[N@@H+](C)CCC)n1 ZINC000730275655 673268737 /nfs/dbraw/zinc/26/87/37/673268737.db2.gz RDCLFNSGQBSIPH-UHFFFAOYSA-N 1 0 366.516 2.080 20 30 FEEDRO C[C@H]1CCCC[C@H]1[NH+]1CCC(N=Nc2ccc(S(N)(=O)=O)cn2)CC1 ZINC000733901837 673443366 /nfs/dbraw/zinc/44/33/66/673443366.db2.gz VQRDSYJWDSYGMM-XJKSGUPXSA-N 1 0 365.503 2.171 20 30 FEEDRO N#CC1(c2ccc(C[N@H+]3CCC[C@H](N4CCCS4(=O)=O)C3)cc2)CC1 ZINC000597116916 673449443 /nfs/dbraw/zinc/44/94/43/673449443.db2.gz RJJYZSCPEATOGD-SFHVURJKSA-N 1 0 359.495 2.242 20 30 FEEDRO CN(C[C@@H]1CCC[N@H+](Cc2ccc(C3(C#N)CC3)cc2)C1)S(C)(=O)=O ZINC000597126746 673450063 /nfs/dbraw/zinc/45/00/63/673450063.db2.gz CHTQHKLNOHRMBS-KRWDZBQOSA-N 1 0 361.511 2.345 20 30 FEEDRO C[C@@H]([NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1)c1ccc(C#N)c(F)c1 ZINC000539606747 673498023 /nfs/dbraw/zinc/49/80/23/673498023.db2.gz NZAMWKCRBXOSBP-BXUZGUMPSA-N 1 0 368.455 2.244 20 30 FEEDRO COc1ccc(CC[NH2+][C@H](C)c2cccc(C#N)c2)cc1S(N)(=O)=O ZINC000540607857 673549136 /nfs/dbraw/zinc/54/91/36/673549136.db2.gz XEFLCKBVXCSRLW-CYBMUJFWSA-N 1 0 359.451 2.108 20 30 FEEDRO CC[C@@H]1CN(C(=O)COc2ccc(C#N)c(Br)c2)C[C@H](C)[NH2+]1 ZINC000598531637 673579729 /nfs/dbraw/zinc/57/97/29/673579729.db2.gz NLAPUTPKIBGPGB-WCQYABFASA-N 1 0 366.259 2.298 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(C(F)F)ccc2F)c1C#N ZINC000598653575 673594408 /nfs/dbraw/zinc/59/44/08/673594408.db2.gz ZJJFWZKAMNQOPA-UHFFFAOYSA-N 1 0 351.332 2.762 20 30 FEEDRO CC(C)(C)NS(=O)(=O)c1ccccc1C[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000598720755 673603202 /nfs/dbraw/zinc/60/32/02/673603202.db2.gz QMSZAVDZKQUWCZ-HNNXBMFYSA-N 1 0 367.515 2.154 20 30 FEEDRO Cc1cccc(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)c1C#N ZINC000599099695 673632967 /nfs/dbraw/zinc/63/29/67/673632967.db2.gz CGJRWCGRZXFJFB-DGCLKSJQSA-N 1 0 361.389 2.015 20 30 FEEDRO CN1CC[NH+](CC2CN(c3c(C#N)cnc4c(Cl)cccc43)C2)CC1 ZINC000599109910 673634078 /nfs/dbraw/zinc/63/40/78/673634078.db2.gz XGHIHBFUFBFJFH-UHFFFAOYSA-N 1 0 355.873 2.443 20 30 FEEDRO CCN(CC[NH3+])C(=O)C(=O)Nc1sc2c(c1C#N)CC[C@@H](C(C)C)C2 ZINC000599890381 673726597 /nfs/dbraw/zinc/72/65/97/673726597.db2.gz HFGBAJLURTUPEY-GFCCVEGCSA-N 1 0 362.499 2.126 20 30 FEEDRO C=CCOc1c(Cl)cc(C[NH2+][C@H]2CCO[C@H]2C(=O)OC)cc1OC ZINC000600179992 673747005 /nfs/dbraw/zinc/74/70/05/673747005.db2.gz DANDWCSINCCICQ-XJKSGUPXSA-N 1 0 355.818 2.334 20 30 FEEDRO C=C(Br)CNC(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000743565074 673763757 /nfs/dbraw/zinc/76/37/57/673763757.db2.gz PZHIRHUULSIQKL-UHFFFAOYSA-N 1 0 352.276 2.293 20 30 FEEDRO N#CC1(C[C@H](O)C[NH2+][C@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)CC1 ZINC000600732800 673795097 /nfs/dbraw/zinc/79/50/97/673795097.db2.gz UZWXNVKBUBWXNX-WFASDCNBSA-N 1 0 351.809 2.229 20 30 FEEDRO N#CC1(C[C@@H](O)C[NH2+]C[C@H](O)COc2ccc(C(F)(F)F)cc2)CC1 ZINC000600741674 673796008 /nfs/dbraw/zinc/79/60/08/673796008.db2.gz GWFGCJFYHQCPNX-KGLIPLIRSA-N 1 0 358.360 2.089 20 30 FEEDRO CSc1nnc(CCCNC(=O)[C@@H]([NH3+])CCCC#N)n1C1CCCC1 ZINC000600761629 673797381 /nfs/dbraw/zinc/79/73/81/673797381.db2.gz ODFBSFNIQKWLSM-AWEZNQCLSA-N 1 0 364.519 2.185 20 30 FEEDRO C[NH+]1CCC(C#N)(NC(=O)[C@H]2[C@@H]3c4ccc(Br)cc4C[C@H]23)CC1 ZINC000601043130 673821500 /nfs/dbraw/zinc/82/15/00/673821500.db2.gz STTKJEISDREWCH-ARFHVFGLSA-N 1 0 374.282 2.439 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2CCCCC[C@H]([NH3+])C2)cc1C(F)(F)F ZINC000601345724 673846099 /nfs/dbraw/zinc/84/60/99/673846099.db2.gz YTLDNSJEZBCUED-LBPRGKRZSA-N 1 0 361.389 2.469 20 30 FEEDRO N#CCc1ccc(CS(=O)(=O)N2C[C@H](C[NH3+])Cc3ccccc32)cc1 ZINC000601351777 673846575 /nfs/dbraw/zinc/84/65/75/673846575.db2.gz OPLYZYVUZLADPO-KRWDZBQOSA-N 1 0 355.463 2.220 20 30 FEEDRO C[N@H+](CC1CC1)C[C@H]1CCN(S(=O)(=O)CC2(C#N)CCCCC2)C1 ZINC000547472578 673854612 /nfs/dbraw/zinc/85/46/12/673854612.db2.gz DVZITMSPTRYJSW-QGZVFWFLSA-N 1 0 353.532 2.454 20 30 FEEDRO C[N@H+](CCCSCC#N)CCN1CCN(C(=O)OC(C)(C)C)CC1 ZINC000745942136 673857984 /nfs/dbraw/zinc/85/79/84/673857984.db2.gz CUGSJIVMMAGTAR-UHFFFAOYSA-N 1 0 356.536 2.118 20 30 FEEDRO N#Cc1ccccc1CSCC[NH2+]Cc1ccc(S(N)(=O)=O)s1 ZINC000602500753 673906907 /nfs/dbraw/zinc/90/69/07/673906907.db2.gz AKLWXIOJBNJCBG-UHFFFAOYSA-N 1 0 367.521 2.290 20 30 FEEDRO CC(C)NS(=O)(=O)Cc1ccc(C[NH2+]Cc2cccc(C#N)n2)cc1 ZINC000602542425 673907754 /nfs/dbraw/zinc/90/77/54/673907754.db2.gz XGKWUJZNUITCKK-UHFFFAOYSA-N 1 0 358.467 2.071 20 30 FEEDRO N#Cc1ccc(Cn2cc([C@H]([NH3+])[C@@H]3CCCO3)nn2)c(C(F)(F)F)c1 ZINC000603253002 673920100 /nfs/dbraw/zinc/92/01/00/673920100.db2.gz YODNWXCIHIIKRM-GJZGRUSLSA-N 1 0 351.332 2.396 20 30 FEEDRO CC(C)[NH+]1CCN(CCCn2c(C(F)(F)F)ccc(C#N)c2=O)CC1 ZINC000603378731 673927560 /nfs/dbraw/zinc/92/75/60/673927560.db2.gz WPRGPBDWRYHUGU-UHFFFAOYSA-N 1 0 356.392 2.155 20 30 FEEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+]CCc2c(F)cccc2F)c1 ZINC000548908325 674005581 /nfs/dbraw/zinc/00/55/81/674005581.db2.gz RGYUKKXXODJKTH-UHFFFAOYSA-N 1 0 350.390 2.442 20 30 FEEDRO CC(C)[C@@H]1CC[N@H+](CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)C1 ZINC000566393760 675210362 /nfs/dbraw/zinc/21/03/62/675210362.db2.gz GAIWQELXBMEKRD-SJORKVTESA-N 1 0 360.527 2.435 20 30 FEEDRO C#CC[N@@H+](C)CCCNC(=O)[C@H](C)Oc1cccc(Br)c1 ZINC000818609117 675228381 /nfs/dbraw/zinc/22/83/81/675228381.db2.gz LDEDMFGJAZZCLP-ZDUSSCGKSA-N 1 0 353.260 2.288 20 30 FEEDRO N#Cc1ccc(NCC[NH2+]C[C@H](O)c2ccccc2Br)nc1 ZINC000818952848 675245993 /nfs/dbraw/zinc/24/59/93/675245993.db2.gz ZXJIIGHFQWINGZ-HNNXBMFYSA-N 1 0 361.243 2.451 20 30 FEEDRO N#Cc1ccc(NCC[NH2+]C[C@H](O)COCc2ccccc2Cl)nc1 ZINC000818952344 675246027 /nfs/dbraw/zinc/24/60/27/675246027.db2.gz JJJBEEGZBDUHAC-INIZCTEOSA-N 1 0 360.845 2.186 20 30 FEEDRO N#Cc1cccnc1NCC[NH2+]C[C@@H](O)c1cccc(Br)c1 ZINC000818976244 675248953 /nfs/dbraw/zinc/24/89/53/675248953.db2.gz XWZPXJCLJRYVAS-OAHLLOKOSA-N 1 0 361.243 2.451 20 30 FEEDRO CN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)C1CC[NH+](C)CC1 ZINC000818996810 675251072 /nfs/dbraw/zinc/25/10/72/675251072.db2.gz LZUCTCXSBYPLMO-OAHLLOKOSA-N 1 0 352.479 2.126 20 30 FEEDRO CN(CC[NH+]1CCCC1)C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C ZINC000819238477 675273024 /nfs/dbraw/zinc/27/30/24/675273024.db2.gz GNXNXJMCOLKWFG-HNNXBMFYSA-N 1 0 352.479 2.128 20 30 FEEDRO CC(C)(O)c1ccc(C[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000819241186 675273428 /nfs/dbraw/zinc/27/34/28/675273428.db2.gz KPQRKWJAHTWYEM-UHFFFAOYSA-N 1 0 358.463 2.349 20 30 FEEDRO C[C@@H](C[NH2+]C[C@@H](O)CN(C)CCC#N)Oc1cccc(Br)c1 ZINC000567684736 675312229 /nfs/dbraw/zinc/31/22/29/675312229.db2.gz OITRZYNIQQDJSN-DZGCQCFKSA-N 1 0 370.291 2.012 20 30 FEEDRO C[NH+](C)Cc1ccc(CNS(=O)(=O)Cc2ccc(CC#N)cc2)cc1 ZINC000567768746 675320456 /nfs/dbraw/zinc/32/04/56/675320456.db2.gz XEZYAXBKTGZXOU-UHFFFAOYSA-N 1 0 357.479 2.434 20 30 FEEDRO N#CC1(CS(=O)(=O)NCC2([NH+]3CCSCC3)CCCCC2)CCC1 ZINC000568461520 675375387 /nfs/dbraw/zinc/37/53/87/675375387.db2.gz PBKVPRZPMIJOFR-UHFFFAOYSA-N 1 0 371.572 2.351 20 30 FEEDRO C#C[C@H](NC(=O)NC[C@H]1CCC[N@H+]1CCCO)c1ccc(Cl)cc1F ZINC000820751200 675385194 /nfs/dbraw/zinc/38/51/94/675385194.db2.gz UVKGQNNGCAOWMO-PBHICJAKSA-N 1 0 367.852 2.299 20 30 FEEDRO C#C[C@H](NC(=O)N1C[C@H](C)[N@@H+](CCO)C[C@H]1C)c1ccc(Cl)cc1F ZINC000820755115 675385463 /nfs/dbraw/zinc/38/54/63/675385463.db2.gz GXMZWLGMGYLIBZ-AHIWAGSCSA-N 1 0 367.852 2.250 20 30 FEEDRO O=C(NCC[NH2+][C@@H]1CCc2cc(F)c(F)c(F)c21)C1N=CC=CC1=O ZINC000823860939 675574876 /nfs/dbraw/zinc/57/48/76/675574876.db2.gz PZCFFBCPVPGHIS-RRGFCBMYSA-N 1 0 351.328 2.207 20 30 FEEDRO C=C(Br)C[NH2+]Cc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1 ZINC000823873704 675575227 /nfs/dbraw/zinc/57/52/27/675575227.db2.gz PLTVRMPYFLZAFB-UHFFFAOYSA-N 1 0 374.246 2.265 20 30 FEEDRO CCCC[C@H](ON=C(C)C)C(=O)N1CCC([NH+]2CCN(C)CC2)CC1 ZINC000827444757 675756229 /nfs/dbraw/zinc/75/62/29/675756229.db2.gz APSCKTLLRCBJEX-SFHVURJKSA-N 1 0 352.523 2.196 20 30 FEEDRO C#CCC[NH+]1CCN(Cc2ccc(C(=O)OC)cc2Br)CC1 ZINC000828519534 675827442 /nfs/dbraw/zinc/82/74/42/675827442.db2.gz RPGNODFQRQRPEA-UHFFFAOYSA-N 1 0 365.271 2.377 20 30 FEEDRO N#Cc1ccc2c(c1)C[C@H](NC(=O)C1CC[NH+]([C@H]3CCSC3)CC1)C2 ZINC000829485324 675880668 /nfs/dbraw/zinc/88/06/68/675880668.db2.gz BDONILAGZKPZEZ-MOPGFXCFSA-N 1 0 355.507 2.359 20 30 FEEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1S[C@H](C=C)C(=O)OC ZINC000619688489 676390904 /nfs/dbraw/zinc/39/09/04/676390904.db2.gz PWFFFVWEEXGLFW-CQSZACIVSA-N 1 0 350.488 2.312 20 30 FEEDRO C=CC[C@@]1(C(=O)NC[C@@H](C)c2ccc(S(C)(=O)=O)cc2)CCC[NH2+]1 ZINC000639017501 677152883 /nfs/dbraw/zinc/15/28/83/677152883.db2.gz HLZICTJTGVCAQU-KDOFPFPSSA-N 1 0 350.484 2.008 20 30 FEEDRO C=CC[C@H]1CC[N@@H+](Cc2ccc(S(N)(=O)=O)c(Br)c2)C1 ZINC000639349244 677158582 /nfs/dbraw/zinc/15/85/82/677158582.db2.gz WMWCDHIFEVWROJ-NSHDSACASA-N 1 0 359.289 2.495 20 30 FEEDRO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCC(C(=O)NCC(F)(F)F)CC1 ZINC000642099029 677218250 /nfs/dbraw/zinc/21/82/50/677218250.db2.gz SZHDGIFGTLCDMR-ZDUSSCGKSA-N 1 0 363.424 2.190 20 30 FEEDRO CC#CC[C@H](CO)NC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000646250664 677281396 /nfs/dbraw/zinc/28/13/96/677281396.db2.gz HDEAEOBQUYADCH-GOSISDBHSA-N 1 0 361.511 2.174 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(F)cc2SC)CC1 ZINC000646593042 677286758 /nfs/dbraw/zinc/28/67/58/677286758.db2.gz JOIVCRBQAVHKPT-UHFFFAOYSA-N 1 0 351.447 2.253 20 30 FEEDRO C=CC[C@H]1CC[C@@H]([NH2+]C2CCN(S(=O)(=O)C3CCOCC3)CC2)C1 ZINC000651718012 677446796 /nfs/dbraw/zinc/44/67/96/677446796.db2.gz AFSGEYPNUXSHBD-DOTOQJQBSA-N 1 0 356.532 2.294 20 30 FEEDRO C[C@H]1CC(N=Nc2cc(C(F)(F)F)nc(-c3ccncc3)n2)C[N@@H+]1C ZINC000761813687 680732093 /nfs/dbraw/zinc/73/20/93/680732093.db2.gz UJSDKUBPXFYPFZ-JTQLQIEISA-N 1 0 350.348 2.471 20 30 FEEDRO C#C[C@H](NC(=O)N[C@@H]1C[NH2+]CC[C@H]1C)c1ccc(Br)cc1 ZINC000841978843 680919903 /nfs/dbraw/zinc/91/99/03/680919903.db2.gz ZYDULHMLFUAPNX-BYCMXARLSA-N 1 0 350.260 2.421 20 30 FEEDRO C=CC[C@@H]1CCCC[C@@H]1NC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000659537785 678187232 /nfs/dbraw/zinc/18/72/32/678187232.db2.gz IEZSOJMNVVDGHI-QLFBSQMISA-N 1 0 362.440 2.257 20 30 FEEDRO C#Cc1cccc(NC(=S)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)c1 ZINC000763307734 680779500 /nfs/dbraw/zinc/77/95/00/680779500.db2.gz ZPDOKOCCEKFFHP-VQIMIIECSA-N 1 0 356.539 2.323 20 30 FEEDRO C=CC[C@@]1(C(=O)N2CCN(Cc3cccc(Cl)c3)C(=O)C2)CCC[NH2+]1 ZINC000662657187 678647766 /nfs/dbraw/zinc/64/77/66/678647766.db2.gz XSQMBAPCFJROIW-IBGZPJMESA-N 1 0 361.873 2.209 20 30 FEEDRO C[N@@H+]1CCC[C@@H](N2CCN(c3cc(C(F)(F)F)cnc3C#N)CC2)C1 ZINC000840264254 680810860 /nfs/dbraw/zinc/81/08/60/680810860.db2.gz QEMUKUBAOJRODU-CQSZACIVSA-N 1 0 353.392 2.188 20 30 FEEDRO C#CC[C@H]([NH2+]CC(=O)Nc1nc(CC(=O)OC)cs1)c1ccccc1 ZINC000765004750 680826750 /nfs/dbraw/zinc/82/67/50/680826750.db2.gz VYBFFTMWXDLVIK-HNNXBMFYSA-N 1 0 357.435 2.151 20 30 FEEDRO CC(C)(C)NS(=O)(=O)c1ccccc1N=NC1CC[N@@H+]2CCC[C@@H]12 ZINC000765572549 680846866 /nfs/dbraw/zinc/84/68/66/680846866.db2.gz PRUDVEGHGJIBHG-HNNXBMFYSA-N 1 0 350.488 2.399 20 30 FEEDRO C#CCOc1ccc(Br)cc1C[NH2+]CCCS(=O)(=O)CC ZINC000840973668 680858138 /nfs/dbraw/zinc/85/81/38/680858138.db2.gz SKMRCXIJAAOXMY-UHFFFAOYSA-N 1 0 374.300 2.376 20 30 FEEDRO C#CC[N@H+]1CCC[C@H]1COC(=O)[C@@H](CC(F)F)NC(=O)OC(C)(C)C ZINC000765942970 680860421 /nfs/dbraw/zinc/86/04/21/680860421.db2.gz ULRPHHPPWTUGPI-QWHCGFSZSA-N 1 0 360.401 2.176 20 30 FEEDRO C#CCNC(=O)C1CC[NH+](C[C@@H](O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000747816435 679904819 /nfs/dbraw/zinc/90/48/19/679904819.db2.gz DRYOBOULLLPSMH-MRXNPFEDSA-N 1 0 354.372 2.200 20 30 FEEDRO C[NH+]1CCC2(CCCN(S(=O)(=O)Cc3ccc(F)cc3C#N)C2)CC1 ZINC000831370285 679973293 /nfs/dbraw/zinc/97/32/93/679973293.db2.gz YDTXWRWILOWXOX-UHFFFAOYSA-N 1 0 365.474 2.335 20 30 FEEDRO C=C(C)[C@H](CO)[N@@H+]1C[C@@H](CNC(=O)OC(C)(C)C)C2(C1)CCOCC2 ZINC000832031413 680079181 /nfs/dbraw/zinc/07/91/81/680079181.db2.gz ZTIUUOFPCBWKBV-CVEARBPZSA-N 1 0 354.491 2.177 20 30 FEEDRO C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCC[C@@H]2N2CCCC2=O)C1 ZINC001020253899 680103785 /nfs/dbraw/zinc/10/37/85/680103785.db2.gz IPXAKRBKWOZGCE-FPCVCCKLSA-N 1 0 353.894 2.157 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2c(C)nn(C)c2Cl)C1 ZINC001020728948 680113679 /nfs/dbraw/zinc/11/36/79/680113679.db2.gz NQBPLGUAWOPWAK-YXWQFLTLSA-N 1 0 366.893 2.100 20 30 FEEDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)c1cccc(F)c1C#N ZINC000751499297 680183683 /nfs/dbraw/zinc/18/36/83/680183683.db2.gz WYXLQTAOUSIYSB-MJBXVCDLSA-N 1 0 353.463 2.342 20 30 FEEDRO C=CCCC[N@@H+](C)CN1C[C@@H]2CN(C(=O)OC(C)(C)C)CCN2C1=O ZINC000751596550 680189175 /nfs/dbraw/zinc/18/91/75/680189175.db2.gz ZBNQSEYEFVDFRZ-HNNXBMFYSA-N 1 0 352.479 2.199 20 30 FEEDRO C#CCNC(=O)CC[NH2+]C[C@@H](c1c(F)cccc1Cl)N1CCCC1 ZINC000834363301 680217544 /nfs/dbraw/zinc/21/75/44/680217544.db2.gz ZHWUWWDZASPWJP-INIZCTEOSA-N 1 0 351.853 2.345 20 30 FEEDRO C[C@@H]1C[N@H+](C)CC1N=Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000752169771 680226191 /nfs/dbraw/zinc/22/61/91/680226191.db2.gz YXOVOIWFVFWOIF-LLVKDONJSA-N 1 0 365.484 2.293 20 30 FEEDRO CC[C@H](Cc1ccccc1Br)C(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000834479617 680232538 /nfs/dbraw/zinc/23/25/38/680232538.db2.gz GXBPNXFJEBFABL-KYOSRNDESA-N 1 0 350.260 2.246 20 30 FEEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)c1ccc(Br)cc1C(F)(F)F ZINC000834484782 680233311 /nfs/dbraw/zinc/23/33/11/680233311.db2.gz MYJHZHKOOCDIJD-CPCISQLKSA-N 1 0 362.149 2.309 20 30 FEEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)CCCCOc1ccc(Br)cc1 ZINC000834485002 680233349 /nfs/dbraw/zinc/23/33/49/680233349.db2.gz QVCSMGWUGKJTBL-SWLSCSKDSA-N 1 0 366.259 2.226 20 30 FEEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)CCc1nc2cc(C(F)(F)F)ccc2s1 ZINC000834485655 680233466 /nfs/dbraw/zinc/23/34/66/680233466.db2.gz ZWJDYVFHOZNTSI-JOYOIKCWSA-N 1 0 368.384 2.475 20 30 FEEDRO Cc1cc(C(=O)N[C@H]2C[NH2+]C[C@H]2C#N)c2ccc(Br)cc2n1 ZINC000834488535 680233657 /nfs/dbraw/zinc/23/36/57/680233657.db2.gz DEWDILFQXROBNB-BMIGLBTASA-N 1 0 359.227 2.147 20 30 FEEDRO CC[C@H](Cc1cccc(Br)c1)C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000834489772 680234178 /nfs/dbraw/zinc/23/41/78/680234178.db2.gz PIACPCPWORBVGS-UMVBOHGHSA-N 1 0 350.260 2.246 20 30 FEEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)CCSc1ccccc1Br ZINC000834499365 680235391 /nfs/dbraw/zinc/23/53/91/680235391.db2.gz HTLPKZPUXJEHCD-PWSUYJOCSA-N 1 0 354.273 2.159 20 30 FEEDRO Cc1noc(C)c1CSc1ccccc1C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000834516824 680237135 /nfs/dbraw/zinc/23/71/35/680237135.db2.gz MKVSNHGHWDZRGC-BBRMVZONSA-N 1 0 356.451 2.425 20 30 FEEDRO Cc1nc(COc2ccc(F)cc2)sc1C(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000834516730 680237193 /nfs/dbraw/zinc/23/71/93/680237193.db2.gz LJYXCZVEBDUNFJ-RISCZKNCSA-N 1 0 360.414 2.011 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC2(C1)CCC[N@@H+](C[C@@H](CC)OC)C2 ZINC000981776603 680250903 /nfs/dbraw/zinc/25/09/03/680250903.db2.gz RTLIDBYFGIZYIF-KURKYZTESA-N 1 0 350.503 2.317 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[N@H+](C[C@H]2CCCCO2)CC1 ZINC000982135259 680270431 /nfs/dbraw/zinc/27/04/31/680270431.db2.gz ZBCRYFJPTQLEKW-QYZOEREBSA-N 1 0 350.503 2.461 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[N@H+](CC2CCOCC2)CC1 ZINC000982135017 680270451 /nfs/dbraw/zinc/27/04/51/680270451.db2.gz NOGKZVDDWCXUSX-OALUTQOASA-N 1 0 350.503 2.319 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[N@@H+](C[C@H](OC)C2CCC2)CC1 ZINC000982173418 680272605 /nfs/dbraw/zinc/27/26/05/680272605.db2.gz MOPZUPXVHVCHCV-FHWLQOOXSA-N 1 0 350.503 2.317 20 30 FEEDRO C#CCOc1ccc(Br)cc1C[NH2+]C[C@@]1(C)CCC(=O)N1 ZINC000835062058 680292266 /nfs/dbraw/zinc/29/22/66/680292266.db2.gz QQASBZXHBMOWSA-MRXNPFEDSA-N 1 0 351.244 2.219 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H]([NH2+]CC2CCOCC2)C(C)(C)C1 ZINC000995831460 680305555 /nfs/dbraw/zinc/30/55/55/680305555.db2.gz KLYOEZKOKUBUGS-FGTMMUONSA-N 1 0 350.503 2.221 20 30 FEEDRO C=C(C)CN(CC)C(=O)C[NH2+][C@@H](C)c1cccc(NS(C)(=O)=O)c1 ZINC000753910415 680323942 /nfs/dbraw/zinc/32/39/42/680323942.db2.gz JPFPLSYCFFUQNQ-AWEZNQCLSA-N 1 0 353.488 2.133 20 30 FEEDRO CC(C)[N@H+]1CC(N=Nc2ccc(S(=O)(=O)NC(C)(C)C)cn2)[C@H](C)C1 ZINC000754258384 680346022 /nfs/dbraw/zinc/34/60/22/680346022.db2.gz MDWZFUYGUTWWJD-CYBMUJFWSA-N 1 0 367.519 2.286 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)NC1CCC([NH2+]CCn2cc(Cl)cn2)CC1 ZINC001026564282 680347281 /nfs/dbraw/zinc/34/72/81/680347281.db2.gz ZSYHSZFWVSOUDB-BACDZXNISA-N 1 0 366.893 2.145 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2cc(F)ccc2F)C1 ZINC001027075552 680354890 /nfs/dbraw/zinc/35/48/90/680354890.db2.gz VKGRCJGPBMITTK-QBIMZIAESA-N 1 0 350.409 2.494 20 30 FEEDRO C#CCOc1ccc(F)cc1NC(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000754446037 680356838 /nfs/dbraw/zinc/35/68/38/680356838.db2.gz ZLMWMOICYQKLDZ-QGZVFWFLSA-N 1 0 351.447 2.397 20 30 FEEDRO C=C(Cl)C[N@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)CC1 ZINC000998065443 680373653 /nfs/dbraw/zinc/37/36/53/680373653.db2.gz GPJGXUAYJXDCFW-XWTMOSNGSA-N 1 0 370.921 2.493 20 30 FEEDRO O=C(NC[C@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)C1)[C@]12C[C@H]1COC2 ZINC001028553594 680376681 /nfs/dbraw/zinc/37/66/81/680376681.db2.gz JYNSWRCUZDNEHK-UWVAXJGDSA-N 1 0 358.869 2.166 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([C@@H](C)[NH2+]Cc2snnc2C)CC1 ZINC001029146082 680387436 /nfs/dbraw/zinc/38/74/36/680387436.db2.gz JWPRUDTUWNWDBS-WQVCFCJDSA-N 1 0 364.515 2.154 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1CC([NH2+]CCn2cc(Cl)cn2)C1 ZINC000998784582 680389013 /nfs/dbraw/zinc/38/90/13/680389013.db2.gz HTNLBMKVZSLFJD-BACDZXNISA-N 1 0 366.893 2.097 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)NCC1C[NH+](CCOC2CCCCCC2)C1 ZINC001031988501 680410398 /nfs/dbraw/zinc/41/03/98/680410398.db2.gz BACMMZZDBHPUCL-MOPGFXCFSA-N 1 0 350.503 2.365 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@H]1CC[N@H+](CCC2CCOCC2)C1 ZINC001033960774 680429577 /nfs/dbraw/zinc/42/95/77/680429577.db2.gz INOHZINFVHPXQC-OTWHNJEPSA-N 1 0 350.503 2.317 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+][C@@H](C)c2csnn2)CC1 ZINC001034740275 680439214 /nfs/dbraw/zinc/43/92/14/680439214.db2.gz HMNAQFNSVGXNIS-IPVBOJNNSA-N 1 0 350.488 2.207 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CCC2CCCCC2)CCO1 ZINC001035515379 680449187 /nfs/dbraw/zinc/44/91/87/680449187.db2.gz FSSQTFHBPFBZTO-QRVBRYPASA-N 1 0 350.503 2.365 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1CC[NH+](CC[C@H]2CCCO2)CC1 ZINC001001930234 680482632 /nfs/dbraw/zinc/48/26/32/680482632.db2.gz GAVIPHDJQMPNKB-QYZOEREBSA-N 1 0 350.503 2.365 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1CC[NH+](C[C@@H]2CCCCO2)CC1 ZINC001001936369 680482669 /nfs/dbraw/zinc/48/26/69/680482669.db2.gz ZLXISXCOXKONPZ-FHWLQOOXSA-N 1 0 350.503 2.365 20 30 FEEDRO C#CC[N@H+]1CCC[C@@H]1COC(=O)COc1ccc(Br)cc1 ZINC000756545943 680484363 /nfs/dbraw/zinc/48/43/63/680484363.db2.gz XIUGRVOOWBQGOU-CQSZACIVSA-N 1 0 352.228 2.469 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC2(C1)CC[NH+](C[C@@H](CC)OC)CC2 ZINC001040856521 680491524 /nfs/dbraw/zinc/49/15/24/680491524.db2.gz UDPXYNMIPPAKHG-KURKYZTESA-N 1 0 350.503 2.317 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)[C@H](C)[C@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000756841032 680501135 /nfs/dbraw/zinc/50/11/35/680501135.db2.gz GDRPMLQFOULIQZ-CABCVRRESA-N 1 0 351.491 2.140 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@]2(CC[N@@H+](Cc3cc(C)ns3)C2)C1 ZINC001041696134 680508875 /nfs/dbraw/zinc/50/88/75/680508875.db2.gz KZDVUMJPKZZNQM-AOIWGVFYSA-N 1 0 361.511 2.467 20 30 FEEDRO C#CC[N@H+]1CCC[C@@H]1COC(=O)CCc1ccc(S(=O)(=O)CC)cc1 ZINC000757436041 680524055 /nfs/dbraw/zinc/52/40/55/680524055.db2.gz WXLXNKGCWRMHAP-QGZVFWFLSA-N 1 0 363.479 2.054 20 30 FEEDRO C[C@@H]1CN(c2nc(Cl)c(C#N)s2)C[C@H]1NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001042426525 680530622 /nfs/dbraw/zinc/53/06/22/680530622.db2.gz VOEJZOVGSBOSLU-UTUOFQBUSA-N 1 0 367.906 2.093 20 30 FEEDRO C=C(Cl)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2C[C@@H](C)CC(=O)N2)CC1 ZINC001004442519 680556379 /nfs/dbraw/zinc/55/63/79/680556379.db2.gz MWKNAKCCVXAISG-KBRIMQKVSA-N 1 0 367.921 2.357 20 30 FEEDRO C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1Nc1snc(Cl)c1C#N ZINC001043095261 680560301 /nfs/dbraw/zinc/56/03/01/680560301.db2.gz LGYHOVCMKRRVGI-JLLWLGSASA-N 1 0 353.879 2.021 20 30 FEEDRO C#CCNC(=S)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000758217289 680563339 /nfs/dbraw/zinc/56/33/39/680563339.db2.gz SNORDPPQMABDJU-UHFFFAOYSA-N 1 0 354.317 2.320 20 30 FEEDRO CC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H](Nc2snc(C)c2C#N)C1 ZINC001043219914 680567236 /nfs/dbraw/zinc/56/72/36/680567236.db2.gz WTEXSWWCTLRZNZ-WQVCFCJDSA-N 1 0 361.515 2.456 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CC[NH+](CCC[C@@H]2CCOC2)CC1 ZINC001006023824 680590653 /nfs/dbraw/zinc/59/06/53/680590653.db2.gz YTWVWENHQYVQHQ-QRQLOZEOSA-N 1 0 350.503 2.317 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H](C2CC[NH+](CCOC)CC2)C1 ZINC001047260207 680659277 /nfs/dbraw/zinc/65/92/77/680659277.db2.gz YGGGVQSJOYJIHU-OTWHNJEPSA-N 1 0 350.503 2.175 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)N[C@@H](C(=O)OC)c1ccccc1Br ZINC000912462454 685377231 /nfs/dbraw/zinc/37/72/31/685377231.db2.gz OTKIRTILOBAXPX-CQSZACIVSA-N 1 0 369.259 2.287 20 30 FEEDRO CCOC(=O)c1c(NC(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)sc2c1CCCC2 ZINC000841157760 680866447 /nfs/dbraw/zinc/86/64/47/680866447.db2.gz XPIVUZHKYGMBHS-JQWIXIFHSA-N 1 0 362.455 2.037 20 30 FEEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)Nc1cc2ccccc2nc1Br ZINC000841215108 680869424 /nfs/dbraw/zinc/86/94/24/680869424.db2.gz JJMCTSBREBCSBR-GXFFZTMASA-N 1 0 360.215 2.230 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)c1nnc(-c2c(F)cccc2F)s1 ZINC000841711367 680908591 /nfs/dbraw/zinc/90/85/91/680908591.db2.gz AEQNLIRLXKOMLX-UHFFFAOYSA-N 1 0 350.394 2.168 20 30 FEEDRO C#C[C@H](NC(=O)NCC[C@@H]1CC[NH2+]C1)c1ccc(Br)cc1 ZINC000841938141 680917988 /nfs/dbraw/zinc/91/79/88/680917988.db2.gz IGUXUINSUFHAKM-WFASDCNBSA-N 1 0 350.260 2.422 20 30 FEEDRO C#CCOc1ccc(Br)cc1C[NH2+]CC1(O)CC(OCC)C1 ZINC000767739109 680924639 /nfs/dbraw/zinc/92/46/39/680924639.db2.gz PBRWLRYTXNKTKR-UHFFFAOYSA-N 1 0 368.271 2.481 20 30 FEEDRO CCOCCC[NH+]=C(NCCS(=O)(=O)c1ccccc1)NC(C)(C)C ZINC000912499200 685387084 /nfs/dbraw/zinc/38/70/84/685387084.db2.gz NIUPEQRWBAFWLE-UHFFFAOYSA-N 1 0 369.531 2.221 20 30 FEEDRO COc1cc(C#N)ccc1S(=O)(=O)N1C[C@H](CC[NH3+])c2ccccc21 ZINC000842796751 680967513 /nfs/dbraw/zinc/96/75/13/680967513.db2.gz JPPBODWIOBBOMB-AWEZNQCLSA-N 1 0 357.435 2.208 20 30 FEEDRO CCc1ccc([C@@H](O)C[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000843093465 680987228 /nfs/dbraw/zinc/98/72/28/680987228.db2.gz MUNVKXHMWQUDPK-IBGZPJMESA-N 1 0 358.463 2.218 20 30 FEEDRO Cc1nsc(N2CC[C@H](NC(=O)C[N@@H+]3CCC(C)(C)C3)[C@H]2C)c1C#N ZINC001051005539 681059869 /nfs/dbraw/zinc/05/98/69/681059869.db2.gz NNYYYIWMNNRAMG-HIFRSBDPSA-N 1 0 361.515 2.139 20 30 FEEDRO N#Cc1cccc(C[NH+]2CCC(NC(=S)NC[C@H]3CCOC3)CC2)c1 ZINC000844596848 681067872 /nfs/dbraw/zinc/06/78/72/681067872.db2.gz PAAUROAARXWXJD-QGZVFWFLSA-N 1 0 358.511 2.023 20 30 FEEDRO C=C(Br)CN1CCC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001052393099 681076874 /nfs/dbraw/zinc/07/68/74/681076874.db2.gz DVSDUEOECKPKNJ-RBSFLKMASA-N 1 0 358.324 2.206 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1COC2(C[NH+](CC(CC)CC)C2)C1 ZINC001053955049 681106077 /nfs/dbraw/zinc/10/60/77/681106077.db2.gz XKVNEZLBMBLLMF-SQNIBIBYSA-N 1 0 350.503 2.363 20 30 FEEDRO C[NH+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(CC#N)C1CCCC1 ZINC000845578556 681139014 /nfs/dbraw/zinc/13/90/14/681139014.db2.gz ZHGLESYYJXVGMJ-OAHLLOKOSA-N 1 0 352.479 2.126 20 30 FEEDRO C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)O[C@H]1CCC[C@@H](C#N)C1 ZINC000845603815 681140854 /nfs/dbraw/zinc/14/08/54/681140854.db2.gz YAOGICGOTNKFRF-ILXRZTDVSA-N 1 0 353.463 2.457 20 30 FEEDRO C[C@@H]1[C@H](C(=O)N2CC[C@@H](Nc3snc(Cl)c3C#N)C2)CC[N@@H+]1C ZINC001056801777 681156535 /nfs/dbraw/zinc/15/65/35/681156535.db2.gz JKUHKHOUAWYCGV-GMTAPVOTSA-N 1 0 353.879 2.021 20 30 FEEDRO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](Nc3ncc(C#N)cc3Cl)C2)CC[N@@H+]1C ZINC001059444381 681180833 /nfs/dbraw/zinc/18/08/33/681180833.db2.gz XLZQWNBIYQKDPM-RZLSGREXSA-N 1 0 361.877 2.396 20 30 FEEDRO C#CCN1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000846100834 681183168 /nfs/dbraw/zinc/18/31/68/681183168.db2.gz AMMFXWPFLARVFR-HKUYNNGSSA-N 1 0 359.539 2.434 20 30 FEEDRO C[NH+](C)CC#CCNC(=O)Nc1c2c(ccc1Br)OCC2 ZINC000932216729 681197798 /nfs/dbraw/zinc/19/77/98/681197798.db2.gz DVMFWDURFZZPBQ-UHFFFAOYSA-N 1 0 352.232 2.071 20 30 FEEDRO C[NH+]1CCC(OCC(=O)N[C@H](C#N)c2ccccc2Br)CC1 ZINC000932752811 681301905 /nfs/dbraw/zinc/30/19/05/681301905.db2.gz ZCYRWVZVTYCMQC-OAHLLOKOSA-N 1 0 366.259 2.241 20 30 FEEDRO C#CCN1CCN(C(=O)C[NH2+][C@@H](C)c2ccccc2C(F)(F)F)CC1 ZINC000775460550 681307951 /nfs/dbraw/zinc/30/79/51/681307951.db2.gz WFCLDHCTKZFGPR-AWEZNQCLSA-N 1 0 353.388 2.133 20 30 FEEDRO C[NH+](C)C[C@H]1COC2(CCCC2)CN1C(=O)N[C@@H](CC#N)C(F)(F)F ZINC000932892353 681323805 /nfs/dbraw/zinc/32/38/05/681323805.db2.gz GYQFERHSSLXENI-STQMWFEESA-N 1 0 362.396 2.116 20 30 FEEDRO N#Cc1ccc(C2([NH2+]CCc3ccc(S(N)(=O)=O)cc3)CCC2)cc1 ZINC000847058760 681326619 /nfs/dbraw/zinc/32/66/19/681326619.db2.gz NAUBABWYKUUQJB-UHFFFAOYSA-N 1 0 355.463 2.417 20 30 FEEDRO C[NH+](C)CCOc1ccc(CNC(=O)N[C@H](CC#N)C(F)(F)F)cc1 ZINC000932928166 681330117 /nfs/dbraw/zinc/33/01/17/681330117.db2.gz XWDIRMNTADLSCC-CQSZACIVSA-N 1 0 358.364 2.271 20 30 FEEDRO CN1CC[C@H]([N@@H+]2C[C@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)C1=O ZINC000932944534 681332531 /nfs/dbraw/zinc/33/25/31/681332531.db2.gz WSGSYMHIIBGIFL-RNJXMRFFSA-N 1 0 366.252 2.320 20 30 FEEDRO C#C[C@H]([NH2+][C@@H](C)C(=O)N(C)Cc1nc2ccccc2s1)[C@H]1CCCO1 ZINC000775784921 681335315 /nfs/dbraw/zinc/33/53/15/681335315.db2.gz MIEYLSUGJUPKGA-OFQRWUPVSA-N 1 0 357.479 2.414 20 30 FEEDRO C[N@@H+]1CC[C@@H](CNC(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)C1 ZINC000847372341 681369468 /nfs/dbraw/zinc/36/94/68/681369468.db2.gz IXKWWUVSWZHGEZ-GJZGRUSLSA-N 1 0 352.479 2.032 20 30 FEEDRO C[C@@H](CC[NH+](C)C)NC(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000847491868 681386438 /nfs/dbraw/zinc/38/64/38/681386438.db2.gz YBHGWNPSQUOQBC-HNNXBMFYSA-N 1 0 351.491 2.093 20 30 FEEDRO C=C(C)CC[N@@H+]1CCC[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2=O)C1 ZINC000776838186 681439526 /nfs/dbraw/zinc/43/95/26/681439526.db2.gz YCXBPRPEJAQGOA-MRXNPFEDSA-N 1 0 351.491 2.496 20 30 FEEDRO CN(CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)Cc1cc(C#N)cs1 ZINC000933773251 681466646 /nfs/dbraw/zinc/46/66/46/681466646.db2.gz IDWZEWGLDZFTMI-GOSISDBHSA-N 1 0 356.495 2.471 20 30 FEEDRO N#Cc1c(NC(=O)CC[N@@H+]2CCC[C@H]2C2OCCO2)sc2c1CCC2 ZINC000933901587 681480995 /nfs/dbraw/zinc/48/09/95/681480995.db2.gz FXXFKPCBFKBIBO-AWEZNQCLSA-N 1 0 361.467 2.274 20 30 FEEDRO C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@@H](C)C1CCN(C(=O)OCC)CC1 ZINC000777639196 681516124 /nfs/dbraw/zinc/51/61/24/681516124.db2.gz CCFYJXYEVUKUTP-HOTGVXAUSA-N 1 0 351.491 2.422 20 30 FEEDRO N#Cc1cc(Br)ccc1CN1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000934270372 681540726 /nfs/dbraw/zinc/54/07/26/681540726.db2.gz UXIZWXSJXLSBAR-IAGOWNOFSA-N 1 0 364.287 2.352 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC2(CC1)C[N@H+](CC(C)C)CCO2 ZINC000949370588 681635498 /nfs/dbraw/zinc/63/54/98/681635498.db2.gz ZSMWUFISCNWOAT-MSOLQXFVSA-N 1 0 350.503 2.317 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCCC[C@H]([C@H]3CCOC3)C2)cc1 ZINC000934836980 681645905 /nfs/dbraw/zinc/64/59/05/681645905.db2.gz GZHBEOGRZDNVSP-ROUUACIJSA-N 1 0 362.495 2.471 20 30 FEEDRO CCNC(NCCOc1ccc(I)cc1)=[NH+]CC ZINC000848988341 681647472 /nfs/dbraw/zinc/64/74/72/681647472.db2.gz BCOSFXYXHWZZGX-UHFFFAOYSA-N 1 0 361.227 2.245 20 30 FEEDRO CC(C)N1CCO[C@H](C(=[NH2+])NOCc2cc(Cl)ccc2OCC#N)C1 ZINC000779652699 681735711 /nfs/dbraw/zinc/73/57/11/681735711.db2.gz HVPUPNMQDAMCMM-INIZCTEOSA-N 1 0 366.849 2.350 20 30 FEEDRO Cc1[nH]c2ccc(Br)cc2c1CC(=O)NCC#CC[NH+](C)C ZINC000913516702 685479274 /nfs/dbraw/zinc/47/92/74/685479274.db2.gz AYWPDGAAKKFZEA-UHFFFAOYSA-N 1 0 362.271 2.463 20 30 FEEDRO C[C@@H]1CCN(C(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)C[C@@H]1[NH3+] ZINC000850723316 681947863 /nfs/dbraw/zinc/94/78/63/681947863.db2.gz LAEZRTLAADUGRW-QLFBSQMISA-N 1 0 352.479 2.159 20 30 FEEDRO C#CCNC(=O)C1CC[NH+](CCc2ccc3c(c2)OC(F)(F)O3)CC1 ZINC000851740417 682116709 /nfs/dbraw/zinc/11/67/09/682116709.db2.gz QZGYHVQCXGTTAQ-UHFFFAOYSA-N 1 0 350.365 2.012 20 30 FEEDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N2CCN(c3ccsc3C#N)CC2)C1 ZINC000852223376 682242544 /nfs/dbraw/zinc/24/25/44/682242544.db2.gz KPNNSNDEPYEEDU-LSDHHAIUSA-N 1 0 361.515 2.324 20 30 FEEDRO C=C(Br)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCO[C@H]2C(=C)C)C1 ZINC000970221278 682289458 /nfs/dbraw/zinc/28/94/58/682289458.db2.gz VESGHDIUYGVXGM-ILXRZTDVSA-N 1 0 357.292 2.457 20 30 FEEDRO O=C(C#CC1CC[NH2+]CC1)N1CCO[C@@H](c2ccc(F)cc2Cl)C1 ZINC000852887059 682353446 /nfs/dbraw/zinc/35/34/46/682353446.db2.gz DNDSLPUXNDEXLL-QGZVFWFLSA-N 1 0 350.821 2.382 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)CCn2cc(Cl)cn2)C1 ZINC000971558671 682359282 /nfs/dbraw/zinc/35/92/82/682359282.db2.gz DGYUDERPPDNBHL-ZACQAIPSSA-N 1 0 366.893 2.050 20 30 FEEDRO C=C(Br)CN(C)[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC000971567586 682360801 /nfs/dbraw/zinc/36/08/01/682360801.db2.gz RFPQXVPQPHPZMO-SOUVJXGZSA-N 1 0 358.324 2.158 20 30 FEEDRO C#CCN(CC(=O)OC(C)(C)C)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000853211748 682391881 /nfs/dbraw/zinc/39/18/81/682391881.db2.gz ZQORBNGGGXQGKJ-UHFFFAOYSA-N 1 0 351.491 2.282 20 30 FEEDRO C=C(Cl)C(C)(C)C(=O)N1C[C@H]2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)C[C@H]21 ZINC000972339408 682407518 /nfs/dbraw/zinc/40/75/18/682407518.db2.gz FBYUJVLESWWMPF-FVQBIDKESA-N 1 0 367.921 2.166 20 30 FEEDRO C=C(Cl)C(C)(C)C(=O)N1C[C@H]2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C[C@H]21 ZINC000972340445 682408087 /nfs/dbraw/zinc/40/80/87/682408087.db2.gz VVJNJYLOPHSUAB-ARFHVFGLSA-N 1 0 367.921 2.166 20 30 FEEDRO CS(=O)(=O)c1ccccc1N=NC1CCOC[C@@H]1C[NH+]1CCCCC1 ZINC000787155625 682437801 /nfs/dbraw/zinc/43/78/01/682437801.db2.gz ROJYNPMSDUMHTI-HNNXBMFYSA-N 1 0 365.499 2.380 20 30 FEEDRO C#CCCN(CCOC)C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000853723725 682461063 /nfs/dbraw/zinc/46/10/63/682461063.db2.gz WHQUGWVZHTXXAO-UHFFFAOYSA-N 1 0 367.559 2.419 20 30 FEEDRO C#CCN(CC(=O)OC(C)(C)C)C(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000853983310 682498581 /nfs/dbraw/zinc/49/85/81/682498581.db2.gz DPXMNYBLEOEGGG-INIZCTEOSA-N 1 0 351.491 2.237 20 30 FEEDRO COC(=O)CC[NH+]1CCC(=NNC(=S)N[C@@H]2CCC[C@H](C)[C@@H]2C)CC1 ZINC000788705417 682552255 /nfs/dbraw/zinc/55/22/55/682552255.db2.gz VWZVNLAYPLGOPF-OFQRWUPVSA-N 1 0 368.547 2.290 20 30 FEEDRO CCN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)[C@@H]1CC[N@H+](C)C1 ZINC000855360507 682661532 /nfs/dbraw/zinc/66/15/32/682661532.db2.gz GMVAFXFOPCDWAI-CABCVRRESA-N 1 0 352.479 2.126 20 30 FEEDRO C#CCN(CC(=O)OC(C)(C)C)C(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000855496127 682676861 /nfs/dbraw/zinc/67/68/61/682676861.db2.gz FFLDCOROQAZUQN-MRXNPFEDSA-N 1 0 366.527 2.007 20 30 FEEDRO C[NH+](C)C[C@@H]1COC2(CCCC2)CN1C(=O)c1ccc(C#N)c(Cl)n1 ZINC000856410600 682777417 /nfs/dbraw/zinc/77/74/17/682777417.db2.gz KXFHFKIEBAZKTE-CQSZACIVSA-N 1 0 362.861 2.322 20 30 FEEDRO C=CCn1c(C)nn(CN2CCN(c3cc[nH+]cc3OC)CC2)c1=S ZINC000794703195 682991085 /nfs/dbraw/zinc/99/10/85/682991085.db2.gz ASIWQQZBXFGYSM-UHFFFAOYSA-N 1 0 360.487 2.092 20 30 FEEDRO CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)c1ccc(C#N)c(Cl)c1)C2 ZINC000926159104 683085074 /nfs/dbraw/zinc/08/50/74/683085074.db2.gz HURNQFMGODJKAJ-VXIBKDFQSA-N 1 0 361.873 2.421 20 30 FEEDRO CC(C)(C)OC(=O)[C@@]1(C)CC[N@H+](C[C@@H](O)CC2(C#N)CCOCC2)C1 ZINC000859328185 683085338 /nfs/dbraw/zinc/08/53/38/683085338.db2.gz AVNONCCSVHFJQZ-YJBOKZPZSA-N 1 0 352.475 2.111 20 30 FEEDRO C=CCOCCC[NH2+][C@@H]1[C@@H]2COC[C@H]1C[C@H](NC(=O)OC(C)(C)C)C2 ZINC000926703625 683163770 /nfs/dbraw/zinc/16/37/70/683163770.db2.gz LZSXBOVUVNCUDZ-GANOOXTDSA-N 1 0 354.491 2.487 20 30 FEEDRO C#CCCOc1ccc(C[NH2+]C[C@@H](N2CCOCC2)C(F)(F)F)cc1 ZINC000796514663 683167458 /nfs/dbraw/zinc/16/74/58/683167458.db2.gz OVBYVMGBFDEFSD-QGZVFWFLSA-N 1 0 356.388 2.441 20 30 FEEDRO C#CC[N@H+]1CCC[C@@H]1COC(=O)CCC1CN(C(=O)OC(C)(C)C)C1 ZINC000860529616 683256299 /nfs/dbraw/zinc/25/62/99/683256299.db2.gz JPGGDCHHLDGATL-MRXNPFEDSA-N 1 0 350.459 2.274 20 30 FEEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N1C[C@@H]([NH3+])C(C)(C)C1 ZINC000927852180 683325706 /nfs/dbraw/zinc/32/57/06/683325706.db2.gz CACKNWSJQABEJX-IUODEOHRSA-N 1 0 360.483 2.073 20 30 FEEDRO CO[C@@H]1C[N@H+](C)[C@@](C)(COC(=O)c2cnc(C(F)(F)F)c(C#N)c2)C1 ZINC000861354453 683397026 /nfs/dbraw/zinc/39/70/26/683397026.db2.gz VRDNVYBCULYDKB-SWLSCSKDSA-N 1 0 357.332 2.238 20 30 FEEDRO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)C1=O ZINC000799120037 683424659 /nfs/dbraw/zinc/42/46/59/683424659.db2.gz RZDVEGCROYFKPH-JKSUJKDBSA-N 1 0 351.491 2.352 20 30 FEEDRO C[NH+](C)CC[C@H](NS(=O)(=O)c1cccc(CC#N)c1)c1cccnc1 ZINC000921480107 683481271 /nfs/dbraw/zinc/48/12/71/683481271.db2.gz ZGFOIBKHFGPDTM-SFHVURJKSA-N 1 0 358.467 2.119 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 ZINC000928650386 683481446 /nfs/dbraw/zinc/48/14/46/683481446.db2.gz BFUMDEYOMNYNHE-UHFFFAOYSA-N 1 0 355.316 2.441 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)c2ccc(Cn3cc(Cl)cn3)s2)CC1 ZINC000928660941 683483368 /nfs/dbraw/zinc/48/33/68/683483368.db2.gz UZCUMAJBZOWRBA-UHFFFAOYSA-N 1 0 362.886 2.474 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)NCc2ccc(O)c(Br)c2)CC1 ZINC000921524153 683492100 /nfs/dbraw/zinc/49/21/00/683492100.db2.gz ACUKZKJQRZXAHI-UHFFFAOYSA-N 1 0 366.259 2.052 20 30 FEEDRO N#Cc1cc(C[NH2+]CCC(=O)N2CCN(c3ccccc3)CC2)cs1 ZINC000921632250 683526703 /nfs/dbraw/zinc/52/67/03/683526703.db2.gz LEBNIITWYSSMFV-UHFFFAOYSA-N 1 0 354.479 2.448 20 30 FEEDRO C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cc(Cl)ccc1OC ZINC000922022860 683639264 /nfs/dbraw/zinc/63/92/64/683639264.db2.gz PVULVKLYHCMRRN-UHFFFAOYSA-N 1 0 356.875 2.067 20 30 FEEDRO N#Cc1ccc(Br)c(C[NH2+][C@@H]2C[C@@H](O)C23CCOCC3)c1 ZINC000922346716 683701891 /nfs/dbraw/zinc/70/18/91/683701891.db2.gz MHWFNLVWQQDAPH-HUUCEWRRSA-N 1 0 351.244 2.340 20 30 FEEDRO C=CC1(CC(=O)NC[C@H]2CC[N@@H+](CC)C2)CN(C(=O)OC(C)(C)C)C1 ZINC000930369848 683720024 /nfs/dbraw/zinc/72/00/24/683720024.db2.gz YRSKAIOMVJYYRG-OAHLLOKOSA-N 1 0 351.491 2.258 20 30 FEEDRO N#Cc1ccccc1OC[C@H](O)C[NH2+][C@@H]1CC[C@@H]2SCCS[C@H]12 ZINC000863553483 683741729 /nfs/dbraw/zinc/74/17/29/683741729.db2.gz CIBDOWOPZJTQPG-TXCZRRACSA-N 1 0 350.509 2.267 20 30 FEEDRO C=C(Cl)C[C@H]1NC(=O)N(Cc2ccccc2OCC[NH+](C)C)C1=O ZINC000865302406 683964148 /nfs/dbraw/zinc/96/41/48/683964148.db2.gz VQDNGOMCXUXZRG-CQSZACIVSA-N 1 0 351.834 2.190 20 30 FEEDRO C[NH+](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C#N)C1CCCCC1 ZINC000866342888 684093600 /nfs/dbraw/zinc/09/36/00/684093600.db2.gz GJFJUQSXEMVOJL-GJZGRUSLSA-N 1 0 352.479 2.030 20 30 FEEDRO N#Cc1cc(S(=O)(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)ccc1C(F)(F)F ZINC000866810666 684157995 /nfs/dbraw/zinc/15/79/95/684157995.db2.gz ZYNPWJZEQNRKAO-LMKPVCQUSA-N 1 0 373.400 2.386 20 30 FEEDRO N#Cc1cc(F)cc(S(=O)(=O)NC2CC[NH+](C3CCCC3)CC2)c1 ZINC000866919280 684180737 /nfs/dbraw/zinc/18/07/37/684180737.db2.gz VRVHGOHDLDCNQN-UHFFFAOYSA-N 1 0 351.447 2.383 20 30 FEEDRO C[C@H](C#N)CSc1ccccc1NC(=O)CN1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931280265 684253817 /nfs/dbraw/zinc/25/38/17/684253817.db2.gz LODCPCCMYHCKLM-CUYVQJCZSA-N 1 0 358.511 2.369 20 30 FEEDRO C[N@@H+]1CC[C@@H]2CN(CC(=O)N(CCC#N)c3cccc(Cl)c3)C[C@@H]2C1 ZINC000931432656 684282335 /nfs/dbraw/zinc/28/23/35/684282335.db2.gz YUVJBAPWXXHZRW-CVEARBPZSA-N 1 0 360.889 2.470 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCC(O)(C[NH+](C)C)CC1 ZINC000931485169 684291016 /nfs/dbraw/zinc/29/10/16/684291016.db2.gz WGJCCEJMZUIDHI-INIZCTEOSA-N 1 0 365.543 2.040 20 30 FEEDRO Cc1cccc(C#N)c1S(=O)(=O)N[C@H]1C[C@@](C[NH3+])(c2ccccc2)C1 ZINC000923738513 684343647 /nfs/dbraw/zinc/34/36/47/684343647.db2.gz BOPHVPDMGPUTQG-IZAXUBKRSA-N 1 0 355.463 2.204 20 30 FEEDRO N#Cc1cc(F)cc(S(=O)(=O)N[C@H]2C[C@@](C[NH3+])(c3ccccc3)C2)c1 ZINC000923740860 684343883 /nfs/dbraw/zinc/34/38/83/684343883.db2.gz ORAUKEZVSLIXMT-MAEOIBBWSA-N 1 0 359.426 2.035 20 30 FEEDRO N#CC1(C[C@H](O)C[N@@H+]2CC[C@]3(CC(F)(F)C3(F)F)C2)CCOCC1 ZINC000931908764 684368362 /nfs/dbraw/zinc/36/83/62/684368362.db2.gz BWAVUCBSYVBIFW-JSGCOSHPSA-N 1 0 350.356 2.424 20 30 FEEDRO C=CCCC[C@@H]1NC(=O)N([C@@H]2CC[N@@H+](CCCOCC)C[C@@H]2C)C1=O ZINC000924630982 684475883 /nfs/dbraw/zinc/47/58/83/684475883.db2.gz CKWYCEVTEOGDMW-YESZJQIVSA-N 1 0 351.491 2.400 20 30 FEEDRO C=CCN(CC=C)[C@@H](C[NH2+][C@@H](C)C1CCN(S(C)(=O)=O)CC1)C(C)C ZINC000924642671 684476671 /nfs/dbraw/zinc/47/66/71/684476671.db2.gz JAHVPELDMOYVJV-HKUYNNGSSA-N 1 0 371.591 2.335 20 30 FEEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)c1ccc(OC(F)(F)F)cc1C(F)(F)F ZINC000870941414 684773650 /nfs/dbraw/zinc/77/36/50/684773650.db2.gz UXMDNSNLJUAQNX-WRWORJQWSA-N 1 0 367.249 2.445 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)NCc1cc(Cl)cc(S(=O)(=O)CC)c1 ZINC000910408335 685049862 /nfs/dbraw/zinc/04/98/62/685049862.db2.gz ORUOWVXSHTVXRV-UHFFFAOYSA-N 1 0 358.891 2.258 20 30 FEEDRO Cc1sc(C[NH2+]CCNC(=O)C2N=CC=CC2=O)cc1Br ZINC000873049328 685059763 /nfs/dbraw/zinc/05/97/63/685059763.db2.gz GAZBCYAUBRSJID-BUHFOSPRSA-N 1 0 370.272 2.435 20 30 FEEDRO C[NH+](C)CCOc1cc(C(=O)Nc2nc(Cl)c(C#N)s2)ccn1 ZINC000875681848 686063977 /nfs/dbraw/zinc/06/39/77/686063977.db2.gz MUUUQZARPCADAN-UHFFFAOYSA-N 1 0 351.819 2.256 20 30 FEEDRO N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N1CCO[C@H](c2ccsc2)C1 ZINC000876691363 686244617 /nfs/dbraw/zinc/24/46/17/686244617.db2.gz BZVYPINZDNVZHX-ZWKOTPCHSA-N 1 0 353.447 2.407 20 30 FEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 ZINC000876732327 686255820 /nfs/dbraw/zinc/25/58/20/686255820.db2.gz ZIOVDCYUCWCZRU-CYBMUJFWSA-N 1 0 371.268 2.382 20 30 FEEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)C1(c2cc(Cl)cc(Br)c2)CC1 ZINC000876803208 686272199 /nfs/dbraw/zinc/27/21/99/686272199.db2.gz VMNUGKOEQVPEMP-NOZJJQNGSA-N 1 0 368.662 2.362 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)Nc1ccc(O[C@@H]2CCN(C)C2=O)cc1C ZINC000876899420 686290847 /nfs/dbraw/zinc/29/08/47/686290847.db2.gz XJXKBBNDLMULGW-DZGCQCFKSA-N 1 0 351.834 2.013 20 30 FEEDRO O=C(C#CC1CC[NH2+]CC1)N[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC000877000366 686308018 /nfs/dbraw/zinc/30/80/18/686308018.db2.gz NPRLVJNUPOOLPE-RHSMWYFYSA-N 1 0 352.356 2.040 20 30 FEEDRO N#Cc1ccc(OC2CCC([NH2+]CC3CCS(=O)(=O)CC3)CC2)nc1 ZINC000877119387 686328473 /nfs/dbraw/zinc/32/84/73/686328473.db2.gz WVWSPROOFWEXPH-UHFFFAOYSA-N 1 0 363.483 2.058 20 30 FEEDRO C=CCOc1cc(OC)ccc1C(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000877356406 686361044 /nfs/dbraw/zinc/36/10/44/686361044.db2.gz GTUQPMZJSUTHKA-RISCZKNCSA-N 1 0 358.360 2.469 20 30 FEEDRO CC(C)(C)OC(=O)N1CCO[C@H](C[NH2+]Cc2cc(C#N)cnc2Cl)C1 ZINC000877578222 686414476 /nfs/dbraw/zinc/41/44/76/686414476.db2.gz ZAQYLAWJPPWTQK-CQSZACIVSA-N 1 0 366.849 2.332 20 30 FEEDRO C[C@@](CO)(Cc1ccc(Cl)cc1)[NH2+]Cc1cnc2c(C#N)cnn2c1 ZINC000877715824 686444216 /nfs/dbraw/zinc/44/42/16/686444216.db2.gz JVVJIQALERSOLC-SFHVURJKSA-N 1 0 355.829 2.338 20 30 FEEDRO COc1ccc([C@@H]2CN(CC(=O)Nc3sccc3C#N)CC[NH2+]2)cc1 ZINC000879521144 686844448 /nfs/dbraw/zinc/84/44/48/686844448.db2.gz QWLKLCXEGSKGHK-INIZCTEOSA-N 1 0 356.451 2.213 20 30 FEEDRO C[N@@H+]1CC[C@H]2CN(CCC(=O)Nc3sc4c(c3C#N)CCC4)CC[C@H]21 ZINC000879575784 686860646 /nfs/dbraw/zinc/86/06/46/686860646.db2.gz OWORMDYGUMGIBS-XJKSGUPXSA-N 1 0 358.511 2.463 20 30 FEEDRO C[N@@H+]1CC[C@@H]2CN(CC(=O)[C@@H](C#N)c3nc4ccccc4s3)CC[C@@H]21 ZINC000879576337 686861394 /nfs/dbraw/zinc/86/13/94/686861394.db2.gz BLYQCJFVIFVDDR-FMKPAKJESA-N 1 0 354.479 2.499 20 30 FEEDRO COC[C@@H]([NH2+]CCC(=O)N(C)CCC#N)c1cccc(Br)c1 ZINC000879662806 686882857 /nfs/dbraw/zinc/88/28/57/686882857.db2.gz MAPIUATZYDZUAZ-OAHLLOKOSA-N 1 0 368.275 2.488 20 30 FEEDRO C#CC[C@@H](CO)NC(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1 ZINC000879847433 686925953 /nfs/dbraw/zinc/92/59/53/686925953.db2.gz ZDUANSJCHZQBAI-AWEZNQCLSA-N 1 0 365.861 2.319 20 30 FEEDRO C#CCC1(O)CC[NH+](CC2(O)CCC(C(=O)OC(C)(C)C)CC2)CC1 ZINC000880482905 687052923 /nfs/dbraw/zinc/05/29/23/687052923.db2.gz UWZXAJCRNXXKCA-UHFFFAOYSA-N 1 0 351.487 2.100 20 30 FEEDRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)Nc1cc(C#N)c(F)cc1F ZINC000880713699 687077960 /nfs/dbraw/zinc/07/79/60/687077960.db2.gz VLPMXMQTJLWHGQ-LLVKDONJSA-N 1 0 352.385 2.145 20 30 FEEDRO Cc1cccc(S(=O)(=O)N2CCN(c3cc[nH+]cc3)[C@H](C)C2)c1C#N ZINC000882620345 687411659 /nfs/dbraw/zinc/41/16/59/687411659.db2.gz FUVGUDIFGCKBGU-OAHLLOKOSA-N 1 0 356.451 2.161 20 30 FEEDRO C=CCC[C@@H]([NH2+]CC1(N2CCOCC2)CC(OCC)C1)[C@H]1CCCO1 ZINC000883218769 687589689 /nfs/dbraw/zinc/58/96/89/687589689.db2.gz HASCSURDBDWCIG-WBFXSEPVSA-N 1 0 352.519 2.360 20 30 FEEDRO CCC1([NH3+])CCN(S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)CC1 ZINC000883483432 687646253 /nfs/dbraw/zinc/64/62/53/687646253.db2.gz GUNCYLICQNXPSY-UHFFFAOYSA-N 1 0 361.389 2.469 20 30 FEEDRO CCC1([NH3+])CCN(S(=O)(=O)c2cccc(Br)c2C#N)CC1 ZINC000883482631 687646296 /nfs/dbraw/zinc/64/62/96/687646296.db2.gz CEPCWOYDYPXOGD-UHFFFAOYSA-N 1 0 372.288 2.213 20 30 FEEDRO COc1ccc(OC(F)F)c(NC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)c1 ZINC000884075301 687783951 /nfs/dbraw/zinc/78/39/51/687783951.db2.gz UEJXUXYMBHRKIA-GCULGPDHSA-N 1 0 351.353 2.374 20 30 FEEDRO N#C[C@@H]1C[NH2+]CC12CC(C(=O)Nc1cc(Br)ccc1O)C2 ZINC000884268608 687834072 /nfs/dbraw/zinc/83/40/72/687834072.db2.gz NGEWHYQQRIGRAF-KGXJWFGYSA-N 1 0 350.216 2.233 20 30 FEEDRO Cc1ccc(S(=O)(=O)N2CCN(c3cc[nH+]cc3)C[C@@H]2C)c(C#N)c1 ZINC000885847543 688167837 /nfs/dbraw/zinc/16/78/37/688167837.db2.gz IHOQISUOYXLVHQ-HNNXBMFYSA-N 1 0 356.451 2.161 20 30 FEEDRO C[C@@H]([NH2+]C[C@H](O)CC1(C#N)CCC1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000886109640 688204374 /nfs/dbraw/zinc/20/43/74/688204374.db2.gz PAGFSEUOYCAHPV-GDBMZVCRSA-N 1 0 365.499 2.032 20 30 FEEDRO C[C@H]([NH2+]C[C@H](O)CC1(C#N)CCC1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000886109641 688204580 /nfs/dbraw/zinc/20/45/80/688204580.db2.gz PAGFSEUOYCAHPV-GOEBONIOSA-N 1 0 365.499 2.032 20 30 FEEDRO C#CC[N@@H+](C[C@H](O)CCOCC)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000886426186 688253496 /nfs/dbraw/zinc/25/34/96/688253496.db2.gz MDVIRVKVHZHVET-QGZVFWFLSA-N 1 0 354.491 2.109 20 30 FEEDRO C#CC[N@@H+](CCC(=O)N(C)CC)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000886427427 688253907 /nfs/dbraw/zinc/25/39/07/688253907.db2.gz JZIXBNMUJBVCCG-UHFFFAOYSA-N 1 0 351.491 2.190 20 30 FEEDRO C#CCN(C(=O)c1cc(Br)cnc1F)C1CC[NH+](C)CC1 ZINC000886573286 688278315 /nfs/dbraw/zinc/27/83/15/688278315.db2.gz DCNLCBKRQMXGBN-UHFFFAOYSA-N 1 0 354.223 2.153 20 30 FEEDRO CN(C)S(=O)(=O)C1(C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)CC1 ZINC000886735031 688297994 /nfs/dbraw/zinc/29/79/94/688297994.db2.gz VLYOTJOZUCOYHV-UHFFFAOYSA-N 1 0 361.511 2.404 20 30 FEEDRO CCN1CC[NH+](CCCCNC(=O)Nc2nc(Cl)c(C#N)s2)CC1 ZINC000888406858 688605606 /nfs/dbraw/zinc/60/56/06/688605606.db2.gz KOYRCUCZRXTBFJ-UHFFFAOYSA-N 1 0 370.910 2.207 20 30 FEEDRO C=CCC1(O)CCN(C(=O)NCC[N@@H+](CC)CCC(F)(F)F)CC1 ZINC000888874073 688688554 /nfs/dbraw/zinc/68/85/54/688688554.db2.gz BNIPPSZYGYYGFW-UHFFFAOYSA-N 1 0 351.413 2.373 20 30 FEEDRO CC[NH+](CC)[C@H](CNC(=O)N1CCO[C@](C)(C#N)C1)c1ccsc1 ZINC000891875938 689120983 /nfs/dbraw/zinc/12/09/83/689120983.db2.gz DDVLXCXPCCLOLI-NVXWUHKLSA-N 1 0 350.488 2.455 20 30 FEEDRO CCN1CC[NH+](C[C@H](C)CNC(=O)N(C)Cc2cc(C#N)cs2)CC1 ZINC000893239157 689319211 /nfs/dbraw/zinc/31/92/11/689319211.db2.gz SJNFSOPFLHMIPN-OAHLLOKOSA-N 1 0 363.531 2.035 20 30 FEEDRO C#CCOc1ccccc1C[NH+]1CCC(CN=[S@@](C)(=O)N(C)C)CC1 ZINC000898398401 690175593 /nfs/dbraw/zinc/17/55/93/690175593.db2.gz FIJJJQGGIZLORQ-RUZDIDTESA-N 1 0 363.527 2.485 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)Nc1cccc(S(=O)(=O)NCCCC)c1 ZINC000900023041 690463928 /nfs/dbraw/zinc/46/39/28/690463928.db2.gz DHPVFLUCALAAFD-UHFFFAOYSA-N 1 0 353.488 2.211 20 30 FEEDRO C[N@@H+]1CCC[C@@](O)(CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC000900071071 690469042 /nfs/dbraw/zinc/46/90/42/690469042.db2.gz HLPBBTJZIBUOFN-QGZVFWFLSA-N 1 0 354.372 2.020 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)[C@@H](O)c2cccc(Br)c2)CC1 ZINC000900598599 690536621 /nfs/dbraw/zinc/53/66/21/690536621.db2.gz KGGRWDWGLVBHBT-HNNXBMFYSA-N 1 0 353.260 2.249 20 30 FEEDRO CC[NH+]1CCC(NC(=O)CON=Cc2ccccc2Br)CC1 ZINC000902140475 690740406 /nfs/dbraw/zinc/74/04/06/690740406.db2.gz GAZZEBDDRNCPHN-UHFFFAOYSA-N 1 0 368.275 2.400 20 30 FEEDRO C#CCN(Cn1c(C)c(C)n(CCOC)c1=S)C1CC[NH+](C)CC1 ZINC000902538898 690776102 /nfs/dbraw/zinc/77/61/02/690776102.db2.gz KWFYTTDTPHMYIT-UHFFFAOYSA-N 1 0 350.532 2.269 20 30 FEEDRO C[C@H]([NH2+]C[C@@H]1CCCC[C@H]1NS(C)(=O)=O)c1ccc(C#N)cc1F ZINC000903234817 690873530 /nfs/dbraw/zinc/87/35/30/690873530.db2.gz PUEIQKCEOKNMIY-RVSPLBMKSA-N 1 0 353.463 2.456 20 30 FEEDRO CO[C@@]1(C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)CCS(=O)(=O)C1 ZINC000903364726 690886272 /nfs/dbraw/zinc/88/62/72/690886272.db2.gz BBVUDMRNFFCGGH-CTWPCTMYSA-N 1 0 362.495 2.184 20 30 FEEDRO N#Cc1cc(S(=O)(=O)N2CCC[C@H](CC[NH3+])C2)ccc1Br ZINC000903497736 690901567 /nfs/dbraw/zinc/90/15/67/690901567.db2.gz ODLOZLDLDKFCDJ-LLVKDONJSA-N 1 0 372.288 2.070 20 30 FEEDRO COc1cc(C#N)ccc1S(=O)(=O)N1CCCC[C@H]1C1(C[NH3+])CCC1 ZINC000903546551 690919793 /nfs/dbraw/zinc/91/97/93/690919793.db2.gz MWSXXCHMZSDAQA-KRWDZBQOSA-N 1 0 363.483 2.239 20 30 FEEDRO N#Cc1ccc(-n2cc(CN3CCC([NH3+])CC3)nn2)cc1C(F)(F)F ZINC000905057005 691062103 /nfs/dbraw/zinc/06/21/03/691062103.db2.gz GLDFYZBZMMXUKT-UHFFFAOYSA-N 1 0 350.348 2.081 20 30 FEEDRO N#Cc1ccc(-c2cccc(C[NH2+]C[C@H](O)C3(O)CCOCC3)c2)s1 ZINC000905137649 691072651 /nfs/dbraw/zinc/07/26/51/691072651.db2.gz SYIBDPQYWWVOBF-SFHVURJKSA-N 1 0 358.463 2.279 20 30 FEEDRO C[C@@](O)(C[NH2+]CCOCC(F)(F)C(F)F)C(F)(F)C(F)(F)F ZINC000905232348 691086488 /nfs/dbraw/zinc/08/64/88/691086488.db2.gz NXLTUZLIXQKTCN-SSDOTTSWSA-N 1 0 351.209 2.442 20 30 FEEDRO CN1CC[N@H+](C)CC(C(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)C1 ZINC000906626200 691293918 /nfs/dbraw/zinc/29/39/18/691293918.db2.gz WMTKYYDOZKTFJF-CQSZACIVSA-N 1 0 355.269 2.168 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)N1CC[C@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC000907713281 691544730 /nfs/dbraw/zinc/54/47/30/691544730.db2.gz CKXNASPNKDRVKO-IBGZPJMESA-N 1 0 351.491 2.496 20 30 FEEDRO CC(C)C[NH+]1CCN(c2nccnc2[C@@H](C#N)C(=O)OC(C)(C)C)CC1 ZINC001164657192 719339293 /nfs/dbraw/zinc/33/92/93/719339293.db2.gz AYZHVNVFJDGXLR-OAHLLOKOSA-N 1 0 359.474 2.203 20 30 FEEDRO CSc1nc(-c2ccccc2)nc(N2C[C@H]3OCC[N@H+](C)[C@@H]3C2)c1C#N ZINC001164671519 719408430 /nfs/dbraw/zinc/40/84/30/719408430.db2.gz PWRWXVSCUFWGOS-HZPDHXFCSA-N 1 0 367.478 2.256 20 30 FEEDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncnc(Cl)c1C#N)C2 ZINC001164807941 720086899 /nfs/dbraw/zinc/08/68/99/720086899.db2.gz GPUSQBUDROKSNE-KBXCAEBGSA-N 1 0 361.877 2.186 20 30 FEEDRO Cc1ccc(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc1C#N ZINC001164819661 720315415 /nfs/dbraw/zinc/31/54/15/720315415.db2.gz FQNAVKDYMCPJQT-OALUTQOASA-N 1 0 367.497 2.173 20 30 FEEDRO CCc1nc(C#N)c(C#N)nc1N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164724807 720473774 /nfs/dbraw/zinc/47/37/74/720473774.db2.gz HVLJDZZRCGMRBC-OALUTQOASA-N 1 0 359.437 2.031 20 30 FEEDRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4nccc(Cl)c4C#N)C[C@@H]3C2)cn1 ZINC001164762819 721096255 /nfs/dbraw/zinc/09/62/55/721096255.db2.gz FIEFEWZCECTACI-GJZGRUSLSA-N 1 0 356.861 2.298 20 30 FEEDRO N#Cc1cc(Cl)nnc1N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164900138 721521957 /nfs/dbraw/zinc/52/19/57/721521957.db2.gz OKJFWLDZFXKQOB-ZBFHGGJFSA-N 1 0 373.819 2.483 20 30 FEEDRO Cc1cnc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c(C#N)n1 ZINC001164903823 721549306 /nfs/dbraw/zinc/54/93/06/721549306.db2.gz DCBPLXZOWGHIQH-DOTOQJQBSA-N 1 0 353.401 2.138 20 30 FEEDRO Cc1cc(C#N)c(N2CCCC23CC[NH+](CC(=O)N(C)C)CC3)nc1C ZINC001165010624 721736133 /nfs/dbraw/zinc/73/61/33/721736133.db2.gz HNKOQYSFIZLSRK-UHFFFAOYSA-N 1 0 355.486 2.093 20 30 FEEDRO CC(C)(C)OC(=O)[C@@H](C#N)c1nccnc1N1CC[NH+](C2CCCC2)CC1 ZINC001165032601 721861113 /nfs/dbraw/zinc/86/11/13/721861113.db2.gz SRQLFMOEQMDTGY-INIZCTEOSA-N 1 0 371.485 2.490 20 30 FEEDRO CSc1nc(Cl)c(C#N)c(N2C[C@@H]3C[N@@H+](CC4CC4)C[C@H](C2)O3)n1 ZINC001164966089 722066755 /nfs/dbraw/zinc/06/67/55/722066755.db2.gz WBLUZFREBDGYEG-TXEJJXNPSA-N 1 0 365.890 2.023 20 30 FEEDRO C[NH+](C)[C@@H]1CCOc2c(NC(=O)CNc3ccc(C#N)cn3)cccc21 ZINC000520960928 887285009 /nfs/dbraw/zinc/28/50/09/887285009.db2.gz FWPFYJZUSXQGCC-MRXNPFEDSA-N 1 0 351.410 2.389 20 30 FEEDRO N#Cc1c(F)cccc1-n1ccc(NC(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)n1 ZINC000517018091 887612953 /nfs/dbraw/zinc/61/29/53/887612953.db2.gz NQAHOWMOKGLLLA-XJKSGUPXSA-N 1 0 368.416 2.393 20 30 FEEDRO CCNC(=O)C[N@H+](CC)CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000007919667 539470780 /nfs/dbraw/zinc/47/07/80/539470780.db2.gz CTBMEFPRTTVZNC-UHFFFAOYSA-N 1 0 362.499 2.285 20 30 FEEDRO C=CCNC(=O)NC(=O)C[N@H+](Cc1ccc2c(c1)OCO2)C1CCCC1 ZINC000027237283 539802916 /nfs/dbraw/zinc/80/29/16/539802916.db2.gz NEJAHTKMFGNEBQ-UHFFFAOYSA-N 1 0 359.426 2.172 20 30 FEEDRO CC(C)[NH+]1CCN(CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC1 ZINC000027422242 539807465 /nfs/dbraw/zinc/80/74/65/539807465.db2.gz UXBAUYXFRVHBGZ-UHFFFAOYSA-N 1 0 367.415 2.199 20 30 FEEDRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)C(=O)Nc2cccc(OCC#N)c2)C1 ZINC000041731487 540030903 /nfs/dbraw/zinc/03/09/03/540030903.db2.gz DBOIBHLQGYJYAF-HOTGVXAUSA-N 1 0 372.469 2.012 20 30 FEEDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)C(=O)Nc2cccc(C#N)c2)C1 ZINC000041791657 540033714 /nfs/dbraw/zinc/03/37/14/540033714.db2.gz GHUWEBVNWWLXSZ-IYBDPMFKSA-N 1 0 356.470 2.371 20 30 FEEDRO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCC(C(=O)Nc2cc(C)on2)CC1 ZINC000042642137 540072117 /nfs/dbraw/zinc/07/21/17/540072117.db2.gz GZDDAUFOFGEYRS-OAHLLOKOSA-N 1 0 362.474 2.447 20 30 FEEDRO CC(C)(CNC(=O)N1CCN(c2cc(C#N)ccn2)CC1)[NH+]1CCCCC1 ZINC000043190582 540093500 /nfs/dbraw/zinc/09/35/00/540093500.db2.gz COBRMLFQGTUQAZ-UHFFFAOYSA-N 1 0 370.501 2.049 20 30 FEEDRO C[C@@H]1CC[N@H+](CCNC(=O)C(=O)Nc2scc(C(C)(C)C)c2C#N)C1 ZINC000550470474 674097922 /nfs/dbraw/zinc/09/79/22/674097922.db2.gz JKEKWIFLEYLDHF-GFCCVEGCSA-N 1 0 362.499 2.314 20 30 FEEDRO Cc1cccc(N2CC[NH+](CCCNC(=O)N(C)C[C@@H](C)C#N)CC2)c1 ZINC000046867441 540274397 /nfs/dbraw/zinc/27/43/97/540274397.db2.gz ZDSQDHKMXVBFMZ-SFHVURJKSA-N 1 0 357.502 2.308 20 30 FEEDRO CC(=O)Nc1nc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cs1 ZINC000047011826 540284830 /nfs/dbraw/zinc/28/48/30/540284830.db2.gz HSJISSOOFROOCH-UHFFFAOYSA-N 1 0 371.466 2.177 20 30 FEEDRO CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](CC(=O)N(CC)C[C@@H](C)C#N)C1 ZINC000051050229 540420258 /nfs/dbraw/zinc/42/02/58/540420258.db2.gz VUKZZRAMCUBYQF-ULQDDVLXSA-N 1 0 350.507 2.011 20 30 FEEDRO CCCCNC(=O)[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000051062917 540422101 /nfs/dbraw/zinc/42/21/01/540422101.db2.gz VDUSDALLVLEEHD-FCEWJHQRSA-N 1 0 350.507 2.058 20 30 FEEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NCC1([NH+](C)C)CCCCC1 ZINC000052837299 540492229 /nfs/dbraw/zinc/49/22/29/540492229.db2.gz KOCXRCBVTUVPPG-UHFFFAOYSA-N 1 0 358.486 2.177 20 30 FEEDRO CC[C@H](C)[C@H](NC(=O)C[N@H+](Cc1ccc(C#N)cc1)C(C)C)C(=O)OC ZINC000058397221 540841775 /nfs/dbraw/zinc/84/17/75/540841775.db2.gz PLLRDTINEWTEBP-KXBFYZLASA-N 1 0 359.470 2.473 20 30 FEEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000058908559 540859871 /nfs/dbraw/zinc/85/98/71/540859871.db2.gz NMCVHWTUWWIAJZ-UHFFFAOYSA-N 1 0 357.502 2.433 20 30 FEEDRO Cc1ccc(C#N)cc1NC(=O)C(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC000063823530 541187671 /nfs/dbraw/zinc/18/76/71/541187671.db2.gz ABPLBKHQDCPTQM-UHFFFAOYSA-N 1 0 364.449 2.444 20 30 FEEDRO CC(C)N(C(=O)[C@@H](C)[N@@H+]1CCCN(c2ncccc2C#N)CC1)C(C)C ZINC000064633310 541213053 /nfs/dbraw/zinc/21/30/53/541213053.db2.gz JJDRRAJDDATLDR-QGZVFWFLSA-N 1 0 357.502 2.499 20 30 FEEDRO CC(C)[NH+](CCNC(=O)c1ccc(-n2ncc(C#N)c2N)cc1)C(C)C ZINC000066239858 541293560 /nfs/dbraw/zinc/29/35/60/541293560.db2.gz BNLJVKADUZSJTF-UHFFFAOYSA-N 1 0 354.458 2.175 20 30 FEEDRO C[C@H]1CN(C2CC[NH+](CCC(=O)Nc3cccc(C#N)c3)CC2)CCO1 ZINC000066561495 541335813 /nfs/dbraw/zinc/33/58/13/541335813.db2.gz SVQZLRYWLZQTCM-INIZCTEOSA-N 1 0 356.470 2.072 20 30 FEEDRO N#Cc1ccc(N2CCC([NH2+]Cc3ccc(-n4cncn4)cc3)CC2)nc1 ZINC000067010994 541406185 /nfs/dbraw/zinc/40/61/85/541406185.db2.gz SCXGQLDPZFHHBU-UHFFFAOYSA-N 1 0 359.437 2.293 20 30 FEEDRO C=C(C)COc1cccc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](CCC)C2)c1 ZINC000067554446 541480336 /nfs/dbraw/zinc/48/03/36/541480336.db2.gz YEAYCUXXRNLCSE-INIZCTEOSA-N 1 0 359.470 2.428 20 30 FEEDRO N#Cc1c(F)cccc1-n1ccc(NC(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)n1 ZINC000542838802 541484428 /nfs/dbraw/zinc/48/44/28/541484428.db2.gz LKNBGBRNJNYGNG-CQSZACIVSA-N 1 0 366.400 2.361 20 30 FEEDRO C#CCOc1ccccc1C[NH2+]CC[C@@](O)(c1nccn1C)C(F)(F)F ZINC000067698632 541500637 /nfs/dbraw/zinc/50/06/37/541500637.db2.gz ZEPKVAAWYMTWCN-QGZVFWFLSA-N 1 0 367.371 2.362 20 30 FEEDRO COc1cc(C#N)ccc1OCC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000068133692 541553825 /nfs/dbraw/zinc/55/38/25/541553825.db2.gz MLGUNSXHAJHSGU-QGZVFWFLSA-N 1 0 357.454 2.423 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(F)cc1F)S(=O)(=O)CCCCC#N ZINC000068904533 541639344 /nfs/dbraw/zinc/63/93/44/541639344.db2.gz WKUAOLAURSNZOT-UHFFFAOYSA-N 1 0 359.442 2.352 20 30 FEEDRO C[C@H](CNC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1)[N@H+](C)C1CC1 ZINC000069440493 541687294 /nfs/dbraw/zinc/68/72/94/541687294.db2.gz RCKACKRYFWHKCI-GDBMZVCRSA-N 1 0 373.476 2.448 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(NC=O)cc1 ZINC000073705509 541988900 /nfs/dbraw/zinc/98/89/00/541988900.db2.gz ASQQDWBVVXDAMY-UHFFFAOYSA-N 1 0 350.422 2.331 20 30 FEEDRO C=CCNC(=O)NC(=O)C[N@H+](CCc1ccc(C)cc1)C[C@@H]1CCCO1 ZINC000076000243 542223620 /nfs/dbraw/zinc/22/36/20/542223620.db2.gz QOHDRDVHSSCTRL-SFHVURJKSA-N 1 0 359.470 2.030 20 30 FEEDRO Cc1cc(C)n(-c2ccc(CC(=O)NC3(C#N)CC[NH+](C)CC3)cc2)n1 ZINC000076364341 542267685 /nfs/dbraw/zinc/26/76/85/542267685.db2.gz YYFNITKYRGTZMA-UHFFFAOYSA-N 1 0 351.454 2.136 20 30 FEEDRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1CC(=O)N(CCC#N)CCC#N ZINC000077371595 542373893 /nfs/dbraw/zinc/37/38/93/542373893.db2.gz VQFCQJZFAIRIIL-IBGZPJMESA-N 1 0 367.497 2.239 20 30 FEEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH2+]C2(C(N)=O)CCCCC2)c1 ZINC000078659227 542475460 /nfs/dbraw/zinc/47/54/60/542475460.db2.gz KRLOIYFKUHAJSF-UHFFFAOYSA-N 1 0 356.470 2.328 20 30 FEEDRO O=S1(=O)CC[C@H](CNC(NCc2ccccc2F)=[NH+]C2CCCC2)C1 ZINC000079258180 542508770 /nfs/dbraw/zinc/50/87/70/542508770.db2.gz WKYAJFRFDYNXRF-CQSZACIVSA-N 1 0 367.490 2.238 20 30 FEEDRO COC1CC[NH+](CCNC(=O)CCCCOc2cccc(C#N)c2)CC1 ZINC000079680906 542535361 /nfs/dbraw/zinc/53/53/61/542535361.db2.gz FGCREYRKEHKKHO-UHFFFAOYSA-N 1 0 359.470 2.334 20 30 FEEDRO CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)Nc2cccc(C#N)c2)CC1 ZINC000079775883 542541485 /nfs/dbraw/zinc/54/14/85/542541485.db2.gz YABVNHLSSKLREU-UHFFFAOYSA-N 1 0 371.485 2.306 20 30 FEEDRO COc1cc(C#N)ccc1OCC(=O)N1CC[N@H+](C)CC12CCCCC2 ZINC000080940686 542616847 /nfs/dbraw/zinc/61/68/47/542616847.db2.gz LMRQUBVQPORBGJ-UHFFFAOYSA-N 1 0 357.454 2.423 20 30 FEEDRO COCCC[N@@H+]1CCCN([C@H](C)C(=O)N(CCC#N)c2ccccc2)CC1 ZINC000081087942 542631492 /nfs/dbraw/zinc/63/14/92/542631492.db2.gz ACNMODIDPIXSEW-LJQANCHMSA-N 1 0 372.513 2.366 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCC(c2nnc[nH]2)CC1)C(C)C ZINC000083702190 542700996 /nfs/dbraw/zinc/70/09/96/542700996.db2.gz KGFANQIYOMZGFX-KRWDZBQOSA-N 1 0 360.506 2.392 20 30 FEEDRO CNC(=O)c1ccc(Cl)c(NC(=O)N(CCC#N)CCC[NH+](C)C)c1 ZINC000086282979 542735219 /nfs/dbraw/zinc/73/52/19/542735219.db2.gz NVIWVNCNSHRPEY-UHFFFAOYSA-N 1 0 365.865 2.399 20 30 FEEDRO C[C@H](NC(NCC(=O)N(C)C)=[NH+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)c1ccccc1 ZINC000089102450 542757880 /nfs/dbraw/zinc/75/78/80/542757880.db2.gz YLDBRMGVZOOCAD-WQCNXYOZSA-N 1 0 372.513 2.185 20 30 FEEDRO Cc1nc(C)c(CNC(NCC(=O)N(C)C)=[NH+][C@H]2C[C@H]3CC[C@@H]2C3)s1 ZINC000089018160 542757927 /nfs/dbraw/zinc/75/79/27/542757927.db2.gz RAIUCUKPRUSVKY-ZNMIVQPWSA-N 1 0 363.531 2.072 20 30 FEEDRO CC[NH+]1CCC(NC(=O)CN2CCC[C@H]2[C@@H](C#N)c2ccccc2)CC1 ZINC000089134907 542758678 /nfs/dbraw/zinc/75/86/78/542758678.db2.gz DOOOEPRJZQYRLS-PMACEKPBSA-N 1 0 354.498 2.359 20 30 FEEDRO C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)Cc2cccc(OCC#N)c2)C[C@@H](C)O1 ZINC000089781389 542770442 /nfs/dbraw/zinc/77/04/42/542770442.db2.gz RUMXEYHMGMVAJX-LMMKCTJWSA-N 1 0 371.481 2.232 20 30 FEEDRO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCc3ccccc3[C@H]2C)CC1 ZINC000091558596 542812268 /nfs/dbraw/zinc/81/22/68/542812268.db2.gz UXGAMKPEFQFXPJ-XLIONFOSSA-N 1 0 354.498 2.298 20 30 FEEDRO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+](C)[C@@H]2CCc3ccccc3C2)CC1 ZINC000091577851 542813479 /nfs/dbraw/zinc/81/34/79/542813479.db2.gz PWXRWXVMWKKQGQ-NHCUHLMSSA-N 1 0 368.525 2.168 20 30 FEEDRO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCS[C@H]3CCCC[C@@H]32)CC1 ZINC000091590689 542814419 /nfs/dbraw/zinc/81/44/19/542814419.db2.gz HPVGNGJDZVZFJE-BZSNNMDCSA-N 1 0 364.559 2.039 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)Nc1ccc2c(c1)COC2)C(C)C ZINC000092221790 542849632 /nfs/dbraw/zinc/84/96/32/542849632.db2.gz JTWWWTSLKFBBPG-IBGZPJMESA-N 1 0 371.481 2.470 20 30 FEEDRO COC(=O)C(C)(C)[C@@H]1CCC[N@H+](C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000093281514 542923530 /nfs/dbraw/zinc/92/35/30/542923530.db2.gz SBTBFFCYKHUKOZ-SJORKVTESA-N 1 0 360.454 2.209 20 30 FEEDRO N#CCCn1cc(C(=O)CSc2nc(N)cc(N)[nH+]2)c2ccccc21 ZINC000097603266 543014093 /nfs/dbraw/zinc/01/40/93/543014093.db2.gz RPVGAEIJIBBGGU-UHFFFAOYSA-N 1 0 352.423 2.484 20 30 FEEDRO COc1ccc([C@@H](CNS(=O)(=O)CCCC#N)[NH+]2CCCC2)cc1 ZINC000104106625 543123527 /nfs/dbraw/zinc/12/35/27/543123527.db2.gz QPJDMROAWVKCQC-QGZVFWFLSA-N 1 0 351.472 2.055 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1cccc(NC(=O)NC2CC2)c1 ZINC000104327110 543128306 /nfs/dbraw/zinc/12/83/06/543128306.db2.gz NTURYWXCUHBQTR-UHFFFAOYSA-N 1 0 357.458 2.278 20 30 FEEDRO CC[C@@H](C)[N@H+](C)CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000104686145 543137515 /nfs/dbraw/zinc/13/75/15/543137515.db2.gz MOWIRVAANNXMEK-CQSZACIVSA-N 1 0 371.441 2.185 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)c2ccc(CS(C)(=O)=O)cc2)CC1 ZINC000106040691 543186785 /nfs/dbraw/zinc/18/67/85/543186785.db2.gz BQZVEZACAAGTSQ-UHFFFAOYSA-N 1 0 350.484 2.002 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2ccc(C(=O)NCC)cc2)CC1 ZINC000106262954 543221746 /nfs/dbraw/zinc/22/17/46/543221746.db2.gz NCGGBGBNRDQQNY-UHFFFAOYSA-N 1 0 358.486 2.276 20 30 FEEDRO C[NH+](C)CCN(Cc1ccccn1)C(=O)NCc1ccc(C#N)cc1F ZINC000107392246 543269671 /nfs/dbraw/zinc/26/96/71/543269671.db2.gz FPXXQIGZKQTDLG-UHFFFAOYSA-N 1 0 355.417 2.366 20 30 FEEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000107524558 543272034 /nfs/dbraw/zinc/27/20/34/543272034.db2.gz HYMJYAPPUPIQAW-KRWDZBQOSA-N 1 0 370.497 2.273 20 30 FEEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH2+]CC1(c2cccc(OC)c2)CCCC1 ZINC000108407146 543289686 /nfs/dbraw/zinc/28/96/86/543289686.db2.gz XDUQHFOADPWTOW-HNNXBMFYSA-N 1 0 359.470 2.497 20 30 FEEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)NC1CC[NH+](C)CC1 ZINC000108604462 543297257 /nfs/dbraw/zinc/29/72/57/543297257.db2.gz CICOVJNSXGFNQS-ZDUSSCGKSA-N 1 0 360.483 2.087 20 30 FEEDRO CC[C@H]1CN(C(=O)Nc2cc(C#N)cn2C(C)(C)C)CC[N@@H+]1C[C@H](C)O ZINC000247452110 549335422 /nfs/dbraw/zinc/33/54/22/549335422.db2.gz HNVKJQFKJLXBJP-HOCLYGCPSA-N 1 0 361.490 2.424 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N[C@@H](C)c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000108933998 543308833 /nfs/dbraw/zinc/30/88/33/543308833.db2.gz CYZCYFAJLMFZJE-AWEZNQCLSA-N 1 0 360.454 2.235 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N2CSC[C@H]2C(=O)Nc2ccccc2C)CC1 ZINC000109213815 543318045 /nfs/dbraw/zinc/31/80/45/543318045.db2.gz CIKUHCYNCCHXEX-SFHVURJKSA-N 1 0 371.506 2.180 20 30 FEEDRO CC[N@@H+]1CC[C@H](CNC(=O)CCC(=O)N(CCC#N)c2ccccc2)C1 ZINC000109259247 543319291 /nfs/dbraw/zinc/31/92/91/543319291.db2.gz YRDHATHJMQHDCH-QGZVFWFLSA-N 1 0 356.470 2.171 20 30 FEEDRO C[C@@H]1C[NH+](C(C)(C)CNC(=O)Cc2ccc(OCC#N)cc2)C[C@@H](C)O1 ZINC000110188980 543351175 /nfs/dbraw/zinc/35/11/75/543351175.db2.gz DBSIHJLSARNFRC-HZPDHXFCSA-N 1 0 359.470 2.135 20 30 FEEDRO CCC(CC)[C@H](CNC(=O)Cc1ccc(OCC#N)cc1)[NH+]1CCOCC1 ZINC000110626491 543363331 /nfs/dbraw/zinc/36/33/31/543363331.db2.gz YSRRAPVSHYLBOU-FQEVSTJZSA-N 1 0 373.497 2.385 20 30 FEEDRO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCC(C2OCCO2)CC1 ZINC000110450406 543358239 /nfs/dbraw/zinc/35/82/39/543358239.db2.gz FEZBFTJTHCCCLH-INIZCTEOSA-N 1 0 357.454 2.407 20 30 FEEDRO CC[C@H]1CCC[N@@H+](C(C)(C)CNS(=O)(=O)c2ccc(C#N)nc2)C1 ZINC000111350366 543398560 /nfs/dbraw/zinc/39/85/60/543398560.db2.gz CYGFGUCAJQCSGE-AWEZNQCLSA-N 1 0 350.488 2.132 20 30 FEEDRO C[C@H](CNC(=O)C(=O)Nc1ccc(F)c(C#N)c1)[N@H+](C)Cc1ccccc1 ZINC000111910985 543424698 /nfs/dbraw/zinc/42/46/98/543424698.db2.gz QKCDCGBPBUVOME-CQSZACIVSA-N 1 0 368.412 2.273 20 30 FEEDRO CN(C)[C@H](C[NH2+]C[C@H](O)COc1ccc(CC#N)cc1)c1cccs1 ZINC000551947079 674175198 /nfs/dbraw/zinc/17/51/98/674175198.db2.gz AIWGUETXVIEVQH-FUHWJXTLSA-N 1 0 359.495 2.446 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1ccc(-n2cncn2)nc1)C(C)C ZINC000112919787 543468296 /nfs/dbraw/zinc/46/82/96/543468296.db2.gz GQKRSNZDJPAMIA-QGZVFWFLSA-N 1 0 354.458 2.091 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1csc(-c2nc[nH]n2)n1)C(C)C ZINC000112919776 543468665 /nfs/dbraw/zinc/46/86/65/543468665.db2.gz GZIWKJFTWMFJLB-CQSZACIVSA-N 1 0 360.487 2.357 20 30 FEEDRO N#C[C@H]1CN(C(=O)NCc2ccccc2C[NH+]2CCCCCC2)CCO1 ZINC000112751059 543463014 /nfs/dbraw/zinc/46/30/14/543463014.db2.gz NAAOREWNNCPRKL-IBGZPJMESA-N 1 0 356.470 2.497 20 30 FEEDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)Cc2ccc(OCC#N)cc2)[C@H](C)C1 ZINC000115270835 543556933 /nfs/dbraw/zinc/55/69/33/543556933.db2.gz GKCQRBNOWHIEPL-YLJYHZDGSA-N 1 0 373.497 2.385 20 30 FEEDRO C[C@@H](NC(=O)c1ccc(C#N)nc1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000115055380 543550413 /nfs/dbraw/zinc/55/04/13/543550413.db2.gz HFIFNDSGPBGMDW-CQSZACIVSA-N 1 0 367.428 2.335 20 30 FEEDRO CC[NH+]1CCN(Cc2ccc(CNC(=O)c3ccc(C#N)nc3)cc2)CC1 ZINC000115334193 543560877 /nfs/dbraw/zinc/56/08/77/543560877.db2.gz IEIPXOQLZNRXQO-UHFFFAOYSA-N 1 0 363.465 2.021 20 30 FEEDRO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1cccc(OCCCC#N)c1 ZINC000118117813 543646618 /nfs/dbraw/zinc/64/66/18/543646618.db2.gz JWQDDVKBFXHEMS-OAHLLOKOSA-N 1 0 360.458 2.154 20 30 FEEDRO C=CCC[C@H](O)CN(Cc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000121507583 543695594 /nfs/dbraw/zinc/69/55/94/543695594.db2.gz LACWKJWNEAEOPN-SJORKVTESA-N 1 0 353.484 2.011 20 30 FEEDRO N#CCCn1ccc(NC(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)n1 ZINC000120152565 543676083 /nfs/dbraw/zinc/67/60/83/543676083.db2.gz BDLLJAJRJBLHFN-UHFFFAOYSA-N 1 0 374.489 2.153 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000122143026 543704026 /nfs/dbraw/zinc/70/40/26/543704026.db2.gz VNTRMKBGNBQGJM-UHFFFAOYSA-N 1 0 370.375 2.338 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)OCC(=O)N(C)[C@H]2CCCc3ccccc32)CC1 ZINC000122526324 543708605 /nfs/dbraw/zinc/70/86/05/543708605.db2.gz RKAZIOYUCSWQCO-FQEVSTJZSA-N 1 0 368.477 2.411 20 30 FEEDRO C[NH+]=C(NCc1nc(C(C)(C)C)cs1)N[C@H]1CCc2nc(C)nn2C1 ZINC000126018121 543914220 /nfs/dbraw/zinc/91/42/20/543914220.db2.gz OVAUJJJOXJCUDU-LBPRGKRZSA-N 1 0 361.519 2.021 20 30 FEEDRO C=CCNc1ncc(C(=O)N2CCC(OCCC[NH+](C)C)CC2)s1 ZINC000129633686 544121215 /nfs/dbraw/zinc/12/12/15/544121215.db2.gz HWSMCGOXNBQRNQ-UHFFFAOYSA-N 1 0 352.504 2.314 20 30 FEEDRO Cc1ccc(C(=O)NC2CC[NH+](CCC(=O)N(C)CCC#N)CC2)s1 ZINC000131846383 544209176 /nfs/dbraw/zinc/20/91/76/544209176.db2.gz WGCFQGSCHDOHDI-UHFFFAOYSA-N 1 0 362.499 2.013 20 30 FEEDRO C[C@H](CC#N)N(C)C(=O)C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000132188035 544222352 /nfs/dbraw/zinc/22/23/52/544222352.db2.gz IVRVRIFINCDUCS-MRXNPFEDSA-N 1 0 372.469 2.250 20 30 FEEDRO C=C[C@@H](CC(=O)N1CCC(C(=O)NCC[NH+](C)C)CC1)c1ccccc1 ZINC000134644457 544316545 /nfs/dbraw/zinc/31/65/45/544316545.db2.gz SNSFEBYVWWRLAV-KRWDZBQOSA-N 1 0 357.498 2.263 20 30 FEEDRO CC(C)Oc1ccc(NC(=O)C(=O)N(C)C[C@H]2CCC[N@H+](C)C2)cc1C#N ZINC000134141580 544295715 /nfs/dbraw/zinc/29/57/15/544295715.db2.gz GDPKRCRVHQNXNF-HNNXBMFYSA-N 1 0 372.469 2.084 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N2CCC[C@@H](C(=O)OC(C)(C)C)C2)CC1 ZINC000135112462 544334815 /nfs/dbraw/zinc/33/48/15/544334815.db2.gz JDVBYWBEOWXNCV-OAHLLOKOSA-N 1 0 351.491 2.400 20 30 FEEDRO COc1cc(/C=C/C(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)ccc1OCC#N ZINC000142287415 544416485 /nfs/dbraw/zinc/41/64/85/544416485.db2.gz GDDMNBZULPOFFT-DBWMJRBXSA-N 1 0 355.438 2.307 20 30 FEEDRO C[C@H]1C[C@H](NC(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)C[N@@H+]1C1CC1 ZINC000151790512 544580618 /nfs/dbraw/zinc/58/06/18/544580618.db2.gz MHJYWFDVKKKZLF-BBRMVZONSA-N 1 0 354.454 2.168 20 30 FEEDRO CC(C)(C)CCN1CCN(S(=O)(=O)c2ccc(F)cc2C#N)CC1 ZINC000151883313 544592300 /nfs/dbraw/zinc/59/23/00/544592300.db2.gz VNQKJFBYERIKHG-UHFFFAOYSA-N 1 0 353.463 2.440 20 30 FEEDRO CCC[C@H]1C(=O)NCCN1CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000152465834 544657969 /nfs/dbraw/zinc/65/79/69/544657969.db2.gz MBGUANCGHGIAQC-AWEZNQCLSA-N 1 0 360.483 2.038 20 30 FEEDRO CCN(Cc1ccccc1)C(=O)[C@@H](C)[N@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000153275373 544755400 /nfs/dbraw/zinc/75/54/00/544755400.db2.gz YECGJFVYXPMPHC-OAHLLOKOSA-N 1 0 368.485 2.165 20 30 FEEDRO CCOC(=O)N1CCC(NC(=[NH2+])NCc2ccc(OC)c(Cl)c2)CC1 ZINC000153402200 544771204 /nfs/dbraw/zinc/77/12/04/544771204.db2.gz BTQGPKQXYCOYTD-UHFFFAOYSA-N 1 0 368.865 2.374 20 30 FEEDRO C[C@@H](C(=O)N(C)CCC#N)N1CCN(c2ccc(F)cc2Cl)CC1 ZINC000153474983 544779929 /nfs/dbraw/zinc/77/99/29/544779929.db2.gz KQWUIIWRDQMRQC-ZDUSSCGKSA-N 1 0 352.841 2.362 20 30 FEEDRO O=C(C[N@@H+]1CC[C@@]2(CCOC2)C1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000154035436 544856879 /nfs/dbraw/zinc/85/68/79/544856879.db2.gz NKDDYFVJDLNDKR-GOSISDBHSA-N 1 0 366.383 2.286 20 30 FEEDRO CC[C@@H](CO)[NH+]1CCN(CC#Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000154061405 544859560 /nfs/dbraw/zinc/85/95/60/544859560.db2.gz FGFNMAWZXYXEQY-INIZCTEOSA-N 1 0 356.388 2.325 20 30 FEEDRO N#Cc1ccc(Cl)c(NC(=O)C(=O)N2CCC([NH+]3CCCC3)CC2)c1 ZINC000154809200 544951811 /nfs/dbraw/zinc/95/18/11/544951811.db2.gz FNWXLGWXEYJEKZ-UHFFFAOYSA-N 1 0 360.845 2.237 20 30 FEEDRO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N(C)Cc1cn(C)nc1C(F)(F)F ZINC000155068739 544984144 /nfs/dbraw/zinc/98/41/44/544984144.db2.gz XPKBTRFPTOZADY-IAQYHMDHSA-N 1 0 359.396 2.314 20 30 FEEDRO CCN(C[C@@H](C)C#N)C(=O)C[NH2+]C(C)(C)C(=O)NCC1CCCCC1 ZINC000155256338 545006340 /nfs/dbraw/zinc/00/63/40/545006340.db2.gz IGUJNGIEPODEFS-HNNXBMFYSA-N 1 0 350.507 2.059 20 30 FEEDRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)c2c[nH]c(C#N)c2)c1 ZINC000180530646 327689705 /nfs/dbraw/zinc/68/97/05/327689705.db2.gz WQWSDFVZMDWAEX-UHFFFAOYSA-N 1 0 353.426 2.210 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C[NH+]2CCCC2)c(Cl)c1 ZINC000183556269 327824204 /nfs/dbraw/zinc/82/42/04/327824204.db2.gz JHOLHHBMURUPRF-CQSZACIVSA-N 1 0 353.875 2.461 20 30 FEEDRO Cc1nc(C)c(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)nc1C ZINC000184735961 327881188 /nfs/dbraw/zinc/88/11/88/327881188.db2.gz CNTQNKIPPDHXEL-UHFFFAOYSA-N 1 0 351.454 2.478 20 30 FEEDRO N#Cc1c(NC(=O)C[NH2+][C@H]2CCCC[C@H]2C(N)=O)sc2c1CCCCC2 ZINC000184817333 327884150 /nfs/dbraw/zinc/88/41/50/327884150.db2.gz VNSIWKDJKXMTLU-HIFRSBDPSA-N 1 0 374.510 2.461 20 30 FEEDRO Cc1c(C#N)cccc1NC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)cc1 ZINC000187648152 328037571 /nfs/dbraw/zinc/03/75/71/328037571.db2.gz OXYWLBGBOOUKAC-UHFFFAOYSA-N 1 0 366.421 2.384 20 30 FEEDRO C[C@H]1CC[C@@](CO)([N@H+](C)CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1 ZINC000188023046 328060965 /nfs/dbraw/zinc/06/09/65/328060965.db2.gz NAHMAXNGTOYWPT-MGPUTAFESA-N 1 0 367.453 2.165 20 30 FEEDRO N#Cc1cc(F)ccc1NC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000189388611 328144923 /nfs/dbraw/zinc/14/49/23/328144923.db2.gz CWYJLNIVZMUHGA-MRXNPFEDSA-N 1 0 358.417 2.113 20 30 FEEDRO CCO[C@@H]1C[C@@](CO)([NH2+]CCC(=O)Nc2sccc2C#N)C1(C)C ZINC000189996937 328181288 /nfs/dbraw/zinc/18/12/88/328181288.db2.gz HIRZPFZFFONRAB-DYVFJYSZSA-N 1 0 351.472 2.104 20 30 FEEDRO CC(C)NS(=O)(=O)Cc1ccccc1C[NH2+]Cc1cc(C#N)n(C)c1 ZINC000190950882 328241636 /nfs/dbraw/zinc/24/16/36/328241636.db2.gz XWWXVWDJTAOCHA-UHFFFAOYSA-N 1 0 360.483 2.014 20 30 FEEDRO C[C@H](NC(=O)C(=O)Nc1ccc(F)cc1C#N)[C@H](c1ccccc1)[NH+](C)C ZINC000191246302 328256228 /nfs/dbraw/zinc/25/62/28/328256228.db2.gz VCJCVUDRHAOMHB-SCLBCKFNSA-N 1 0 368.412 2.443 20 30 FEEDRO COc1cc(CN2CC[C@H]([NH2+]Cc3cc(C#N)n(C)c3)C2)cc(OC)c1 ZINC000191307043 328259229 /nfs/dbraw/zinc/25/92/29/328259229.db2.gz DCCRZVRKCSGIOJ-KRWDZBQOSA-N 1 0 354.454 2.278 20 30 FEEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)NCCOCC(F)F)CC2)cc1 ZINC000191614061 328274058 /nfs/dbraw/zinc/27/40/58/328274058.db2.gz UKZLUQQTHOFAEN-UHFFFAOYSA-N 1 0 366.412 2.057 20 30 FEEDRO COc1cccc2c1CC[N@H+](C[C@H](O)COc1ccc(C#N)cc1)CC2 ZINC000193708977 328390756 /nfs/dbraw/zinc/39/07/56/328390756.db2.gz ARYRSILBBGHHJG-SFHVURJKSA-N 1 0 352.434 2.407 20 30 FEEDRO Cc1nc(C#N)c(N2CCC(C(=O)NCC3(C[NH+](C)C)CCCC3)CC2)o1 ZINC000193815091 328396878 /nfs/dbraw/zinc/39/68/78/328396878.db2.gz VFGLPYSICFRIIQ-UHFFFAOYSA-N 1 0 373.501 2.309 20 30 FEEDRO CCNC(=O)COc1ccc(C[NH2+]Cc2cccc(C#N)c2)cc1OC ZINC000047739914 324643208 /nfs/dbraw/zinc/64/32/08/324643208.db2.gz ONYREPQVXRLXGY-UHFFFAOYSA-N 1 0 353.422 2.372 20 30 FEEDRO CN(C1C[C@H]2CC[C@@H](C1)[NH2+]2)S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000237242396 328509709 /nfs/dbraw/zinc/50/97/09/328509709.db2.gz KASKZUUJECARCO-FUNVUKJBSA-N 1 0 373.400 2.481 20 30 FEEDRO CC(C)(CNC(=O)N1CCN(c2ncccc2C#N)CC1)[NH+]1CCCCC1 ZINC000078317867 325041894 /nfs/dbraw/zinc/04/18/94/325041894.db2.gz XURWOAKYEAJGLX-UHFFFAOYSA-N 1 0 370.501 2.049 20 30 FEEDRO CNC(=O)[C@@H](C)C[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000081554410 325183346 /nfs/dbraw/zinc/18/33/46/325183346.db2.gz HSENENNJYNPXLK-LBPRGKRZSA-N 1 0 362.499 2.141 20 30 FEEDRO Cc1cccc(-c2noc(C[N@H+](C)CCCc3[nH]nc(N)c3C#N)n2)c1 ZINC000089942954 325344031 /nfs/dbraw/zinc/34/40/31/325344031.db2.gz IOGPFCJNSGGMIJ-UHFFFAOYSA-N 1 0 351.414 2.287 20 30 FEEDRO C[NH+](C)[C@H]1CC[C@H](NC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)C1 ZINC000091763373 325392643 /nfs/dbraw/zinc/39/26/43/325392643.db2.gz DNXWPTYUGWVOGU-HOTGVXAUSA-N 1 0 359.449 2.012 20 30 FEEDRO C[C@H](C[NH+]1CCCCC1)NC(=O)N1CCN(c2ccc(C#N)cc2F)CC1 ZINC000101788568 325480933 /nfs/dbraw/zinc/48/09/33/325480933.db2.gz IIWVAJVFIZTURJ-MRXNPFEDSA-N 1 0 373.476 2.403 20 30 FEEDRO CC(C)n1cnnc1[C@@H]1CCC[N@H+](C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000118861060 326109166 /nfs/dbraw/zinc/10/91/66/326109166.db2.gz LXSGVRCYYFXZCG-MSOLQXFVSA-N 1 0 369.469 2.350 20 30 FEEDRO CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC000120723232 326282583 /nfs/dbraw/zinc/28/25/83/326282583.db2.gz DHLDELJTWGNIJJ-UHFFFAOYSA-N 1 0 370.497 2.259 20 30 FEEDRO CC[C@@H]1CCCC[C@@H]1[N@H+](C)CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 ZINC000120893412 326297013 /nfs/dbraw/zinc/29/70/13/326297013.db2.gz OZGBTHPUPOZPDW-AEFFLSMTSA-N 1 0 373.501 2.404 20 30 FEEDRO C[C@H]1CCC[N@@H+]1C1CCN(C(=O)C(=O)Nc2ccc(F)c(C#N)c2)CC1 ZINC000121685596 326358282 /nfs/dbraw/zinc/35/82/82/326358282.db2.gz FLYKFZNORKTYPC-ZDUSSCGKSA-N 1 0 358.417 2.111 20 30 FEEDRO N#Cc1cc(F)c(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)c(F)c1 ZINC000122291825 326390964 /nfs/dbraw/zinc/39/09/64/326390964.db2.gz KRJLAORFVXFRJH-IAGOWNOFSA-N 1 0 363.408 2.334 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(C(N)=O)c1 ZINC000127072746 326499755 /nfs/dbraw/zinc/49/97/55/326499755.db2.gz BHSODURIQFYUSJ-UHFFFAOYSA-N 1 0 365.437 2.253 20 30 FEEDRO N#Cc1ccccc1NC(=O)CCCC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000133881814 326616230 /nfs/dbraw/zinc/61/62/30/326616230.db2.gz DGVHGOKJNKPHBK-UHFFFAOYSA-N 1 0 354.454 2.410 20 30 FEEDRO COc1ccc(C[NH+]2CCC(NC(=O)C3CCOCC3)CC2)cc1C#N ZINC000135062157 326635701 /nfs/dbraw/zinc/63/57/01/326635701.db2.gz CSLVJVFDNRTIIQ-UHFFFAOYSA-N 1 0 357.454 2.074 20 30 FEEDRO Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N(CC[NH+](C)C)C(C)C)C2)n1 ZINC000151948777 326695304 /nfs/dbraw/zinc/69/53/04/326695304.db2.gz VRNLBNXKDATHPC-SFHVURJKSA-N 1 0 357.502 2.277 20 30 FEEDRO CC(C)[C@H](C)NC(=O)C1CC[NH+](C[C@H](O)COc2ccc(C#N)cc2)CC1 ZINC000153893538 326745689 /nfs/dbraw/zinc/74/56/89/326745689.db2.gz CDGHPRFFXNAVMP-LPHOPBHVSA-N 1 0 373.497 2.171 20 30 FEEDRO CC[NH+](CC)[C@H](C)CNS(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000155125018 326778629 /nfs/dbraw/zinc/77/86/29/326778629.db2.gz DWKYCLARYDPQQJ-LLVKDONJSA-N 1 0 374.304 2.329 20 30 FEEDRO N#Cc1ccc(Cl)c(NC(=O)C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000155910759 326810284 /nfs/dbraw/zinc/81/02/84/326810284.db2.gz CJZINQCRLLQXHA-OAHLLOKOSA-N 1 0 374.872 2.485 20 30 FEEDRO CC(C)(CNS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)[NH+]1CCCCC1 ZINC000156423822 326830798 /nfs/dbraw/zinc/83/07/98/326830798.db2.gz XGHFYIYXTLQDLO-UHFFFAOYSA-N 1 0 366.443 2.009 20 30 FEEDRO COc1ccccc1OC[C@H](C)C[NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000162324912 327022656 /nfs/dbraw/zinc/02/26/56/327022656.db2.gz GDCKRRVPALCTOH-AUUYWEPGSA-N 1 0 353.422 2.398 20 30 FEEDRO N#Cc1ccc(F)c(CS(=O)(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)c1 ZINC000163931678 327061778 /nfs/dbraw/zinc/06/17/78/327061778.db2.gz KXDRAVCJEZICPV-QGZVFWFLSA-N 1 0 365.474 2.381 20 30 FEEDRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(c2ccc(C(F)(F)F)c(C#N)c2)CC1 ZINC000167170669 327083928 /nfs/dbraw/zinc/08/39/28/327083928.db2.gz ZUXHTKRWZFSNEZ-MRXNPFEDSA-N 1 0 366.387 2.320 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cn1 ZINC000170657176 327091569 /nfs/dbraw/zinc/09/15/69/327091569.db2.gz LXKPBJYECLTJDJ-UHFFFAOYSA-N 1 0 370.478 2.418 20 30 FEEDRO Cc1ccc(C#N)cc1NC(=O)C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000172177135 327185709 /nfs/dbraw/zinc/18/57/09/327185709.db2.gz VWUVESYNIWUWFP-UHFFFAOYSA-N 1 0 368.412 2.322 20 30 FEEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000172835056 327221498 /nfs/dbraw/zinc/22/14/98/327221498.db2.gz VPIPERDKHCTCLV-MRXNPFEDSA-N 1 0 358.486 2.129 20 30 FEEDRO Cc1cccc(NC(=O)C(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)c1C#N ZINC000174782059 327350795 /nfs/dbraw/zinc/35/07/95/327350795.db2.gz UKGHVYSEXLHOAA-CQSZACIVSA-N 1 0 356.470 2.432 20 30 FEEDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)N2CCN(c3ccccc3C#N)CC2)C1 ZINC000176638914 327467546 /nfs/dbraw/zinc/46/75/46/327467546.db2.gz SJLXLNSWSZERFO-MSOLQXFVSA-N 1 0 355.486 2.263 20 30 FEEDRO Cc1c(C#N)cccc1NC(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000178486638 327588006 /nfs/dbraw/zinc/58/80/06/327588006.db2.gz MIOHFFPJNBTMID-QGZVFWFLSA-N 1 0 354.454 2.282 20 30 FEEDRO Cc1nnc2ccc(C(=O)N(CC[NH+](C)C)Cc3cccc(C#N)c3)cn12 ZINC000263832865 328966741 /nfs/dbraw/zinc/96/67/41/328966741.db2.gz UQVSDEDEIUKXPT-UHFFFAOYSA-N 1 0 362.437 2.113 20 30 FEEDRO CN(C)C(=O)c1ccc(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)nc1 ZINC000264893028 329071969 /nfs/dbraw/zinc/07/19/69/329071969.db2.gz PZBQFPODQHKNDM-UHFFFAOYSA-N 1 0 363.465 2.367 20 30 FEEDRO C[N@H+](CCNC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1)C1CC1 ZINC000264910330 329073802 /nfs/dbraw/zinc/07/38/02/329073802.db2.gz WWDYRKXSFOAQCL-UHFFFAOYSA-N 1 0 369.469 2.013 20 30 FEEDRO CC(C)N(C)C(=O)[C@H](C)[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000266994066 329280984 /nfs/dbraw/zinc/28/09/84/329280984.db2.gz CTWWOSAHNGQJAI-HNNXBMFYSA-N 1 0 356.470 2.464 20 30 FEEDRO COc1cc(C[NH2+]Cc2ccc(C#N)s2)ccc1OCC(=O)N(C)C ZINC000267181959 329300132 /nfs/dbraw/zinc/30/01/32/329300132.db2.gz KOSKLRSGLKPIFO-UHFFFAOYSA-N 1 0 359.451 2.385 20 30 FEEDRO C[C@@H]1C[C@@H](NC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)C[N@@H+]1C1CC1 ZINC000267955524 329371407 /nfs/dbraw/zinc/37/14/07/329371407.db2.gz SBBRBHBDEQYZIP-VQIMIIECSA-N 1 0 367.497 2.011 20 30 FEEDRO C[C@@H]([NH2+]CC(=O)NCc1ccc(C#N)cc1)c1ccc([S@](C)=O)cc1 ZINC000272978872 329827832 /nfs/dbraw/zinc/82/78/32/329827832.db2.gz QAPXELPYQOQANW-PWECECGKSA-N 1 0 355.463 2.263 20 30 FEEDRO CN(CC[N@H+](C)C1CC1)C(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000275989529 330109669 /nfs/dbraw/zinc/10/96/69/330109669.db2.gz XGBVRHREKMXZMS-UHFFFAOYSA-N 1 0 368.359 2.068 20 30 FEEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)CCOCC(F)F)CC2)cc1 ZINC000276563212 330164770 /nfs/dbraw/zinc/16/47/70/330164770.db2.gz LWXGCCNLDPSDLU-UHFFFAOYSA-N 1 0 351.397 2.264 20 30 FEEDRO COc1cc(C[NH+]2CCC(C(=O)N3C[C@H](C)O[C@@H](C)C3)CC2)ccc1C#N ZINC000367031126 330209137 /nfs/dbraw/zinc/20/91/37/330209137.db2.gz SDVNZZIBFZXOIB-HOTGVXAUSA-N 1 0 371.481 2.415 20 30 FEEDRO N#Cc1ccc2ncc(C[NH2+][C@H]3CCN(Cc4ccc(F)cc4)C3=O)n2c1 ZINC000367039752 330210245 /nfs/dbraw/zinc/21/02/45/330210245.db2.gz AASADKSNMTZPFV-SFHVURJKSA-N 1 0 363.396 2.236 20 30 FEEDRO COCC[NH+]1CCC(NC(=O)N[C@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000416701453 330261968 /nfs/dbraw/zinc/26/19/68/330261968.db2.gz YJLFUHLDRCMMLX-IBGZPJMESA-N 1 0 356.470 2.346 20 30 FEEDRO CN(C)C(=O)[C@@H]1CC[C@H](C[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)O1 ZINC000554972486 674343920 /nfs/dbraw/zinc/34/39/20/674343920.db2.gz MWGFRGMBHSIWGM-HIFRSBDPSA-N 1 0 355.360 2.302 20 30 FEEDRO CS[C@@H](C)CNC(=O)N(C)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC000328631670 525784463 /nfs/dbraw/zinc/78/44/63/525784463.db2.gz RGJIWZSLJUKOKX-OFQRWUPVSA-N 1 0 353.536 2.400 20 30 FEEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000155622304 545550853 /nfs/dbraw/zinc/55/08/53/545550853.db2.gz QEKARPHEKYAXIL-HKUYNNGSSA-N 1 0 357.502 2.289 20 30 FEEDRO Cc1cccc(NC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1C#N ZINC000155965865 545588400 /nfs/dbraw/zinc/58/84/00/545588400.db2.gz ZDUPIEPMVFNXMC-KXBFYZLASA-N 1 0 366.465 2.281 20 30 FEEDRO C#Cc1cccc(NC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000156026470 545593214 /nfs/dbraw/zinc/59/32/14/545593214.db2.gz CJLDOOFQDXXOLB-APWZRJJASA-N 1 0 351.450 2.082 20 30 FEEDRO CC1CC[NH+](CCCCNS(=O)(=O)c2ccc(F)cc2C#N)CC1 ZINC000156519506 545632829 /nfs/dbraw/zinc/63/28/29/545632829.db2.gz RKKHFLYRUZITRY-UHFFFAOYSA-N 1 0 353.463 2.488 20 30 FEEDRO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[NH+]1CCC(n2cncn2)CC1 ZINC000156560552 545635758 /nfs/dbraw/zinc/63/57/58/545635758.db2.gz OTSGZZWGJDERNB-OAHLLOKOSA-N 1 0 370.432 2.389 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)NCCCNc2ccc(C)cc2[N+](=O)[O-])CC1 ZINC000156950182 545681980 /nfs/dbraw/zinc/68/19/80/545681980.db2.gz ZJYGHKPIIWOWSD-UHFFFAOYSA-N 1 0 358.442 2.167 20 30 FEEDRO C[NH+]=C(NCc1c(C)noc1C)NCc1cc2c(cc1OC)C[C@H](C)O2 ZINC000157408843 545738043 /nfs/dbraw/zinc/73/80/43/545738043.db2.gz KRQBEGTYOZOZML-NSHDSACASA-N 1 0 358.442 2.489 20 30 FEEDRO CCOC(=O)C1(N(C)CC(=O)NCc2cccc(C#N)c2)CCCCC1 ZINC000478039616 561158700 /nfs/dbraw/zinc/15/87/00/561158700.db2.gz GRLDAFMUEQCCHB-UHFFFAOYSA-N 1 0 357.454 2.372 20 30 FEEDRO N#Cc1ccc(OC[C@@H](O)CN2CCO[C@@]3(CCc4ccccc43)C2)cc1 ZINC000158893919 545903346 /nfs/dbraw/zinc/90/33/46/545903346.db2.gz IHAYAKFLONBRHD-UGKGYDQZSA-N 1 0 364.445 2.472 20 30 FEEDRO CC[NH+]=C(NCc1cccc(N2CCCC2=O)c1)N[C@H]1C[C@H]2CC[C@@H]1O2 ZINC000159698787 545974689 /nfs/dbraw/zinc/97/46/89/545974689.db2.gz BLWTYOILMUIWHV-SQNIBIBYSA-N 1 0 356.470 2.188 20 30 FEEDRO Cc1c(/C=C/C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cnn1C ZINC000160027199 546002540 /nfs/dbraw/zinc/00/25/40/546002540.db2.gz JNLHLUNKVHGKPT-MDZDMXLPSA-N 1 0 351.454 2.204 20 30 FEEDRO C[NH+]=C(NC[C@@H](c1ccco1)N(C)C)N1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000160053562 546003475 /nfs/dbraw/zinc/00/34/75/546003475.db2.gz QZPBPHYAKNRHII-IXDOHACOSA-N 1 0 358.490 2.237 20 30 FEEDRO CC[NH+]=C(NCc1ccnc(OC)c1)N1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000160103162 546008185 /nfs/dbraw/zinc/00/81/85/546008185.db2.gz IHEJCEIECQRMQY-NVXWUHKLSA-N 1 0 356.474 2.335 20 30 FEEDRO C#CCOc1ccc(C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)cc1 ZINC000160582032 546053263 /nfs/dbraw/zinc/05/32/63/546053263.db2.gz MPYHGJYHLVLCQM-VQTJNVASSA-N 1 0 356.466 2.196 20 30 FEEDRO C=CCN(CCOC)C(=O)NCCC[N@@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000478786435 561174817 /nfs/dbraw/zinc/17/48/17/561174817.db2.gz JCOIHFRBDDJGFG-FQEVSTJZSA-N 1 0 374.529 2.209 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)Nc2ccc(NC(=O)OCC)c(C#N)c2)CC1 ZINC000161116007 546102136 /nfs/dbraw/zinc/10/21/36/546102136.db2.gz HFVOOHRJXZPPLE-UHFFFAOYSA-N 1 0 354.410 2.410 20 30 FEEDRO C[C@H](CNS(=O)(=O)Cc1cc(C#N)ccc1F)[NH+]1CCC(C)CC1 ZINC000161448954 546130347 /nfs/dbraw/zinc/13/03/47/546130347.db2.gz KTCSOQNLSYVCIA-CQSZACIVSA-N 1 0 353.463 2.237 20 30 FEEDRO C=CCN1CCC([NH2+][C@@H](C)c2cc(S(N)(=O)=O)c(C)cc2C)CC1 ZINC000479068839 561180782 /nfs/dbraw/zinc/18/07/82/561180782.db2.gz OZPXTBGZAIEANT-HNNXBMFYSA-N 1 0 351.516 2.252 20 30 FEEDRO C=CCc1ccc(OC[C@@H](O)CN2CC[C@H]([NH+]3CCCC3)C2)c(OC)c1 ZINC000170739643 546174206 /nfs/dbraw/zinc/17/42/06/546174206.db2.gz IGIAHZDBZMHZLJ-OALUTQOASA-N 1 0 360.498 2.334 20 30 FEEDRO COc1ccc(CCNC(=[NH2+])NCCCNc2ccccn2)cc1OC ZINC000170905258 546181826 /nfs/dbraw/zinc/18/18/26/546181826.db2.gz SNVFKWPGWZKXMA-UHFFFAOYSA-N 1 0 357.458 2.048 20 30 FEEDRO C[NH+]=C(NCc1ccco1)NC[C@H](c1ccc(OC)c(OC)c1)N(C)C ZINC000171408600 546207900 /nfs/dbraw/zinc/20/79/00/546207900.db2.gz CHYIYLJMNJFCAB-MRXNPFEDSA-N 1 0 360.458 2.265 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)CC1 ZINC000171722109 546221379 /nfs/dbraw/zinc/22/13/79/546221379.db2.gz VLSAODFIWCSOSW-UHFFFAOYSA-N 1 0 358.410 2.063 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)[C@@H]2CCCN(C(=O)c3ccc(F)cc3)C2)CC1 ZINC000171722233 546222218 /nfs/dbraw/zinc/22/22/18/546222218.db2.gz OVOGKSWRTJVQKP-QGZVFWFLSA-N 1 0 373.472 2.445 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N2CCC(NC(=O)c3ccoc3C)CC2)CC1 ZINC000171740547 546223225 /nfs/dbraw/zinc/22/32/25/546223225.db2.gz UOMOSLLZENCDQN-UHFFFAOYSA-N 1 0 374.485 2.142 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N2CCN(C(=O)c3cc(C)oc3C)CC2)CC1 ZINC000171737055 546223668 /nfs/dbraw/zinc/22/36/68/546223668.db2.gz SQLNIVFQRYGMHG-UHFFFAOYSA-N 1 0 374.485 2.014 20 30 FEEDRO C=CC1CC[NH+](CC(=O)N2CCN(Cc3ccc(OC)cc3)CC2)CC1 ZINC000171952783 546231974 /nfs/dbraw/zinc/23/19/74/546231974.db2.gz MXZJOEXZPMDEMG-UHFFFAOYSA-N 1 0 357.498 2.237 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1ccnc(-n2cncn2)c1)C(C)C ZINC000171980470 546232110 /nfs/dbraw/zinc/23/21/10/546232110.db2.gz DCHFZOKTMWXYCK-KRWDZBQOSA-N 1 0 354.458 2.091 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)NC[C@@H](O)c2ccc(OC(C)C)cc2)CC1 ZINC000172185625 546239895 /nfs/dbraw/zinc/23/98/95/546239895.db2.gz HZAKJTRVEFINOP-LJQANCHMSA-N 1 0 361.486 2.457 20 30 FEEDRO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)C1 ZINC000173704154 546285742 /nfs/dbraw/zinc/28/57/42/546285742.db2.gz CFXHPHUFDDLVTI-QGZVFWFLSA-N 1 0 356.470 2.369 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N(CC)CC(=O)Nc2c(C)cccc2C)CC1 ZINC000174125657 546291292 /nfs/dbraw/zinc/29/12/92/546291292.db2.gz FOEZLYNXNIBRLE-UHFFFAOYSA-N 1 0 355.482 2.436 20 30 FEEDRO CCOc1ccc(C#N)cc1NC(=O)NCCCC[N@@H+]1CCC[C@H]1CO ZINC000175619785 546321966 /nfs/dbraw/zinc/32/19/66/546321966.db2.gz DMQTWCAELOGLFN-INIZCTEOSA-N 1 0 360.458 2.315 20 30 FEEDRO C[C@@H]1C[N@@H+](CCC2CCN(S(=O)(=O)CCCCC#N)CC2)C[C@H](C)O1 ZINC000175664926 546330110 /nfs/dbraw/zinc/33/01/10/546330110.db2.gz YWIJOKUWEZOMKG-CALCHBBNSA-N 1 0 371.547 2.221 20 30 FEEDRO C=CCc1ccc(OCC(=O)NC[C@@]2([NH+](C)C)CCSC2)c(OC)c1 ZINC000480263332 561206058 /nfs/dbraw/zinc/20/60/58/561206058.db2.gz JSRATGNKESRSTN-IBGZPJMESA-N 1 0 364.511 2.356 20 30 FEEDRO CCC[N@H+](CC)CCNC(=O)C(=O)Nc1cc(C#N)ccc1OC(C)C ZINC000176209940 546419904 /nfs/dbraw/zinc/41/99/04/546419904.db2.gz HIFZTDMFHYDIFL-UHFFFAOYSA-N 1 0 360.458 2.132 20 30 FEEDRO CCO[C@@H]1C[C@H](N(C)CCS(=O)(=O)c2ccc(C#N)cc2)C1(C)C ZINC000176260424 546425366 /nfs/dbraw/zinc/42/53/66/546425366.db2.gz RDGKUCJNEODQQN-DLBZAZTESA-N 1 0 350.484 2.467 20 30 FEEDRO C[N@H+](CCNC(=O)C(=O)Nc1ccc(F)c(C#N)c1)Cc1ccc(F)cc1 ZINC000176333154 546432936 /nfs/dbraw/zinc/43/29/36/546432936.db2.gz DQECUJABJWDWJK-UHFFFAOYSA-N 1 0 372.375 2.023 20 30 FEEDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)N2CCN(c3cccc(F)c3C#N)CC2)C1 ZINC000176572321 546463743 /nfs/dbraw/zinc/46/37/43/546463743.db2.gz MQLPOHZKWNUSIB-HOTGVXAUSA-N 1 0 373.476 2.402 20 30 FEEDRO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)c1ccc2c(c1)OCO2 ZINC000176883968 546500182 /nfs/dbraw/zinc/50/01/82/546500182.db2.gz RISSBVWTNJPMHQ-CYBMUJFWSA-N 1 0 358.419 2.411 20 30 FEEDRO N#Cc1ccc(C[N@@H+](CCC(=O)NC(=O)NCC(F)(F)F)C2CC2)cc1 ZINC000177026245 546526430 /nfs/dbraw/zinc/52/64/30/546526430.db2.gz BOYNLNHUQIFEEI-UHFFFAOYSA-N 1 0 368.359 2.301 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cc(F)ccc2OC(F)F)CC1 ZINC000177240011 546577047 /nfs/dbraw/zinc/57/70/47/546577047.db2.gz BIDUCMUBMZTVOF-UHFFFAOYSA-N 1 0 371.359 2.132 20 30 FEEDRO C[NH+](C)[C@H]1CCCN(C(=O)C(=O)Nc2ccccc2SCCC#N)C1 ZINC000177527795 546637725 /nfs/dbraw/zinc/63/77/25/546637725.db2.gz KTFMJIFHURLCPT-AWEZNQCLSA-N 1 0 360.483 2.183 20 30 FEEDRO C[C@@H](CNS(=O)(=O)Cc1ccc(C#N)cc1F)[NH+]1CCC(C)CC1 ZINC000481025975 561223093 /nfs/dbraw/zinc/22/30/93/561223093.db2.gz QUGOEALBCHTPPI-AWEZNQCLSA-N 1 0 353.463 2.237 20 30 FEEDRO N#Cc1csc(C[NH2+]CCNS(=O)(=O)c2cccc(Cl)c2)c1 ZINC000177691730 546667596 /nfs/dbraw/zinc/66/75/96/546667596.db2.gz BNKPJFLGJRXJJH-UHFFFAOYSA-N 1 0 355.872 2.341 20 30 FEEDRO C[N@@H+]1CCC[C@H]2CN(S(=O)(=O)c3cc(C#N)ccc3Cl)CC[C@@H]21 ZINC000178002973 546720918 /nfs/dbraw/zinc/72/09/18/546720918.db2.gz WLEMFKHXKURYDG-ZFWWWQNUSA-N 1 0 353.875 2.316 20 30 FEEDRO C[C@H]1C[N@@H+](C2CCN(C(=O)C(C)(C)Oc3ccc(C#N)cc3)CC2)CCO1 ZINC000178164449 546750682 /nfs/dbraw/zinc/75/06/82/546750682.db2.gz RLWCKGCDUBXCSO-INIZCTEOSA-N 1 0 371.481 2.427 20 30 FEEDRO CCCC[N@H+](CC)Cc1cccc(CNC(=O)Cn2cnc(C#N)n2)c1 ZINC000178678892 546831825 /nfs/dbraw/zinc/83/18/25/546831825.db2.gz SLLWDYJEEINYCU-UHFFFAOYSA-N 1 0 354.458 2.088 20 30 FEEDRO CN(C(=O)c1cc(C#N)cn1C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000178928912 546875229 /nfs/dbraw/zinc/87/52/29/546875229.db2.gz YQJQQWQXPIQEQS-OALUTQOASA-N 1 0 371.529 2.306 20 30 FEEDRO CCCN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000178934770 546876822 /nfs/dbraw/zinc/87/68/22/546876822.db2.gz KZYITYHSFUMQID-GFCCVEGCSA-N 1 0 361.389 2.340 20 30 FEEDRO C=CC[C@H](C)NC(=O)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000180043688 547043380 /nfs/dbraw/zinc/04/33/80/547043380.db2.gz DDBXXWOCBBTLIP-HNNXBMFYSA-N 1 0 358.486 2.236 20 30 FEEDRO Cn1cc(C[N@@H+]2CCC[C@@H](Cn3ccnn3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180285720 547079075 /nfs/dbraw/zinc/07/90/75/547079075.db2.gz WIYRCFBNSJKKBU-QGZVFWFLSA-N 1 0 361.453 2.462 20 30 FEEDRO N#CC1(NC(=O)COc2ccc(O)cc2)CC[NH+](Cc2ccccc2)CC1 ZINC000482607476 561256782 /nfs/dbraw/zinc/25/67/82/561256782.db2.gz PPRKGKTURBEEFD-UHFFFAOYSA-N 1 0 365.433 2.446 20 30 FEEDRO C=CCSCC[NH2+][C@@H](C)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000180458538 547111854 /nfs/dbraw/zinc/11/18/54/547111854.db2.gz LCQFEDBCWLSKLS-HNNXBMFYSA-N 1 0 370.540 2.277 20 30 FEEDRO C[C@H](C[N@H+](C)Cc1ccccc1)NS(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000180831801 547188663 /nfs/dbraw/zinc/18/86/63/547188663.db2.gz RYDHEPOAHHRROS-CQSZACIVSA-N 1 0 361.442 2.496 20 30 FEEDRO CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000482951576 561263850 /nfs/dbraw/zinc/26/38/50/561263850.db2.gz RXKRFENOYLDZTG-IBGZPJMESA-N 1 0 351.491 2.486 20 30 FEEDRO C[C@@H]([NH2+]CCCN1CCN(c2ncccn2)CC1)c1cccc(C#N)c1 ZINC000181464444 547318531 /nfs/dbraw/zinc/31/85/31/547318531.db2.gz BZJZGQMBKWFJQY-QGZVFWFLSA-N 1 0 350.470 2.211 20 30 FEEDRO CC1=C(C)C[N@H+](CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CC1 ZINC000483378527 561275273 /nfs/dbraw/zinc/27/52/73/561275273.db2.gz RGFMDQXEGDDRFP-QGZVFWFLSA-N 1 0 358.511 2.499 20 30 FEEDRO CC(C)[NH+](CCNC(=O)C(=O)Nc1ccccc1O[C@@H](C)C#N)C(C)C ZINC000181647831 547351711 /nfs/dbraw/zinc/35/17/11/547351711.db2.gz OGQDCFZFBQGSAC-HNNXBMFYSA-N 1 0 360.458 2.151 20 30 FEEDRO C[C@H]([NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1cccc(C#N)c1 ZINC000181971412 547415398 /nfs/dbraw/zinc/41/53/98/547415398.db2.gz UPCUGKJUTXGOBN-ZDUSSCGKSA-N 1 0 374.422 2.096 20 30 FEEDRO C[C@@H]([NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1)c1ccc(C#N)cc1 ZINC000182061809 547430130 /nfs/dbraw/zinc/43/01/30/547430130.db2.gz YLJJDNVEIAEEKS-IUODEOHRSA-N 1 0 350.465 2.105 20 30 FEEDRO N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)C[NH+]2CCCCCC2)CC1 ZINC000182623964 547523243 /nfs/dbraw/zinc/52/32/43/547523243.db2.gz HQPUUSUDJGPFCB-LJQANCHMSA-N 1 0 358.461 2.411 20 30 FEEDRO C[N@H+](CCC1CC1)CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000182969831 547581480 /nfs/dbraw/zinc/58/14/80/547581480.db2.gz ARPORUIVPSCYGI-LJQANCHMSA-N 1 0 358.461 2.266 20 30 FEEDRO C[C@@H]([NH2+]CC(=O)N(CCC#N)CCC#N)c1ccccc1-n1cccn1 ZINC000183173545 547616199 /nfs/dbraw/zinc/61/61/99/547616199.db2.gz HOSMJLWIARAGNJ-MRXNPFEDSA-N 1 0 350.426 2.179 20 30 FEEDRO CC(=O)NC[C@@H]1CCC[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000183249817 547627261 /nfs/dbraw/zinc/62/72/61/547627261.db2.gz AGNRHMWCVFAVDN-KRWDZBQOSA-N 1 0 351.454 2.307 20 30 FEEDRO CN1CC[NH+](CCC(C)(C)NC(=O)c2ccc(C3(C#N)CC3)cc2)CC1 ZINC000184225674 547791075 /nfs/dbraw/zinc/79/10/75/547791075.db2.gz TYYYDLCHGGHCAX-UHFFFAOYSA-N 1 0 354.498 2.388 20 30 FEEDRO N#Cc1cccnc1-n1cc(NC(=O)NCCC[NH+]2CCCCC2)cn1 ZINC000184620791 547855484 /nfs/dbraw/zinc/85/54/84/547855484.db2.gz PTODMWPSVUOHHQ-UHFFFAOYSA-N 1 0 353.430 2.136 20 30 FEEDRO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH2+][C@H](C)C(=O)N(C)CCC#N ZINC000185645793 548014406 /nfs/dbraw/zinc/01/44/06/548014406.db2.gz BLYARCAGDAFYTH-ZYHUDNBSSA-N 1 0 359.396 2.473 20 30 FEEDRO COc1cc(C#N)ccc1S(=O)(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000185782704 548034851 /nfs/dbraw/zinc/03/48/51/548034851.db2.gz LELHLKCBJPJOJP-INIZCTEOSA-N 1 0 363.483 2.063 20 30 FEEDRO C=CC[C@@H](CO)[NH2+][C@H](C)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000186699969 548176002 /nfs/dbraw/zinc/17/60/02/548176002.db2.gz LTFQDTFRPPEHKH-WBVHZDCISA-N 1 0 352.500 2.449 20 30 FEEDRO C=C[C@@](C)(CCOC)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000188416448 548279251 /nfs/dbraw/zinc/27/92/51/548279251.db2.gz KGEUBJZKBBYYGA-IBGZPJMESA-N 1 0 361.442 2.323 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+](C)CC1(O)CCOCC1 ZINC000189761837 548311266 /nfs/dbraw/zinc/31/12/66/548311266.db2.gz SZUXSMQXQHCEHU-HNNXBMFYSA-N 1 0 352.500 2.125 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2nc(CC)c(C)s2)CC1 ZINC000192893859 548374502 /nfs/dbraw/zinc/37/45/02/548374502.db2.gz AQFGPKCHEFLMRW-UHFFFAOYSA-N 1 0 350.488 2.109 20 30 FEEDRO C[C@H](C(=O)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000486560353 561350827 /nfs/dbraw/zinc/35/08/27/561350827.db2.gz NWCDWHKCJFVKEL-JTSKRJEESA-N 1 0 363.461 2.415 20 30 FEEDRO COCCOc1ccc(C#N)cc1NC(=O)N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000487193339 561365850 /nfs/dbraw/zinc/36/58/50/561365850.db2.gz VWBZALHQHKOBJU-QGZVFWFLSA-N 1 0 360.458 2.387 20 30 FEEDRO CCCC[C@H](C[NH3+])NS(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000236745200 548776747 /nfs/dbraw/zinc/77/67/47/548776747.db2.gz VPLYBUFOVDJZFX-GFCCVEGCSA-N 1 0 360.277 2.117 20 30 FEEDRO CCCNC(=O)[C@@H]1CCC[N@@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000245517584 548938709 /nfs/dbraw/zinc/93/87/09/548938709.db2.gz GYMNPFJPWZQPEZ-MJGOQNOKSA-N 1 0 368.481 2.292 20 30 FEEDRO C[C@H](O)CN1CCN(C(=O)Nc2cc(C#N)ccc2OC(F)F)C[C@@H]1C ZINC000246069428 549045805 /nfs/dbraw/zinc/04/58/05/549045805.db2.gz SLOCRESUIPRLCU-RYUDHWBXSA-N 1 0 368.384 2.078 20 30 FEEDRO CCSCC[C@@H](C)[N@H+](C)CC(=O)N1CCN([C@H](C#N)C(C)C)CC1 ZINC000246082362 549048040 /nfs/dbraw/zinc/04/80/40/549048040.db2.gz MYCPPHBSHOYCAQ-IAGOWNOFSA-N 1 0 354.564 2.142 20 30 FEEDRO CNC(=O)[C@@H](C)C[N@H+](C)CC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000246122772 549057270 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FEEDRO CC(C)c1cccc(NC(=[NH2+])NC[C@@H]2CCn3ncc(C(N)=O)c3C2)c1 ZINC000261949066 549772937 /nfs/dbraw/zinc/77/29/37/549772937.db2.gz PDVAFSSJWUQHRC-CYBMUJFWSA-N 1 0 354.458 2.095 20 30 FEEDRO CC[NH+]=C(NC[C@@H]1C[N@H+](C)CCN1C)N[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000261965019 549774404 /nfs/dbraw/zinc/77/44/04/549774404.db2.gz LETLMJQWLWXMMB-SJLPKXTDSA-N 1 0 373.545 2.090 20 30 FEEDRO C[NH+]=C(NCc1nnc2n1CCC2)N[C@H](C)c1cccc(N2CCCC2)c1 ZINC000261968225 549775366 /nfs/dbraw/zinc/77/53/66/549775366.db2.gz LZVODOASSWLRKL-OAHLLOKOSA-N 1 0 367.501 2.251 20 30 FEEDRO C/[NH+]=C(/NCc1cn2ccsc2n1)N1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000261972141 549775597 /nfs/dbraw/zinc/77/55/97/549775597.db2.gz NBKDTRJFMAZPPP-DZGCQCFKSA-N 1 0 357.487 2.251 20 30 FEEDRO C=CCN(C(=O)[C@@H]1CC12CC[NH2+]CC2)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000261980945 549776172 /nfs/dbraw/zinc/77/61/72/549776172.db2.gz WIMXLFNERYPWHD-QAPCUYQASA-N 1 0 366.469 2.128 20 30 FEEDRO C[NH+]=C(NCc1ccc(OC)c(O)c1)N1CC[C@@H](Oc2ccccn2)C1 ZINC000262007665 549779534 /nfs/dbraw/zinc/77/95/34/549779534.db2.gz VZXIFQMXHUVFPV-OAHLLOKOSA-N 1 0 356.426 2.025 20 30 FEEDRO CCS(=O)(=O)c1ccc(CNC(=[NH2+])N[C@H]2CCOc3ccccc32)cc1 ZINC000262097728 549788659 /nfs/dbraw/zinc/78/86/59/549788659.db2.gz HELVHGYODZIUOV-KRWDZBQOSA-N 1 0 373.478 2.408 20 30 FEEDRO CC[C@H](C)NC(=[NH2+])NCc1cccc(N2C(=O)NC3(CCCC3)C2=O)c1 ZINC000262290300 549806874 /nfs/dbraw/zinc/80/68/74/549806874.db2.gz BQFAYGHVUYXJIS-ZDUSSCGKSA-N 1 0 357.458 2.258 20 30 FEEDRO O=S1(=O)CC[C@H](CNC(=[NH+]C2CC2)N2CC[C@H](c3ccccc3)C2)C1 ZINC000262448801 549820664 /nfs/dbraw/zinc/82/06/64/549820664.db2.gz VRIWLBWJXMTVPI-WBVHZDCISA-N 1 0 361.511 2.019 20 30 FEEDRO [NH2+]=C(NCCn1cc(Br)cn1)N[C@H]1CCOc2ccccc21 ZINC000262668401 549836741 /nfs/dbraw/zinc/83/67/41/549836741.db2.gz PVINBMRPOOADAH-ZDUSSCGKSA-N 1 0 364.247 2.074 20 30 FEEDRO [NH2+]=C(N[C@@H]1C[C@H]1c1ccc(Cl)c(F)c1)N1CCN(c2ncccn2)CC1 ZINC000262792928 549850358 /nfs/dbraw/zinc/85/03/58/549850358.db2.gz LCYMIVAITWDOJN-XJKSGUPXSA-N 1 0 374.851 2.262 20 30 FEEDRO C[C@@H]1C[N@@H+](CC2CCN(C(=O)COc3ccccc3C#N)CC2)C[C@H](C)O1 ZINC000263833553 549943417 /nfs/dbraw/zinc/94/34/17/549943417.db2.gz TUIULCQJUNGHFT-CALCHBBNSA-N 1 0 371.481 2.285 20 30 FEEDRO C[C@@H](NC(=[NH2+])NCCCS(C)(=O)=O)c1ccc(Cl)cc1Cl ZINC000264078876 549976318 /nfs/dbraw/zinc/97/63/18/549976318.db2.gz GTJVBWGQDBPKEX-SECBINFHSA-N 1 0 352.287 2.393 20 30 FEEDRO CCOCc1ccccc1CNC(=[NH2+])NC1CCN(C(=O)OCC)CC1 ZINC000264083057 549977495 /nfs/dbraw/zinc/97/74/95/549977495.db2.gz IBACXDJVKKSXRD-UHFFFAOYSA-N 1 0 362.474 2.248 20 30 FEEDRO CCOC(=O)N1CCC(NC(=[NH2+])NC[C@H](C)c2ccc(F)cc2)CC1 ZINC000264100183 549978965 /nfs/dbraw/zinc/97/89/65/549978965.db2.gz NWQAZMRICPEJJH-ZDUSSCGKSA-N 1 0 350.438 2.454 20 30 FEEDRO [NH2+]=C(NCCC(=O)N1CCN(c2ccccc2)CC1)Nc1ccccc1 ZINC000264104479 549979615 /nfs/dbraw/zinc/97/96/15/549979615.db2.gz PCKPVDMMOJLHSE-UHFFFAOYSA-N 1 0 351.454 2.152 20 30 FEEDRO C=CCNC(=[NH2+])NC[C@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1 ZINC000264290979 549993831 /nfs/dbraw/zinc/99/38/31/549993831.db2.gz PSYZINFNJFQOCO-OAHLLOKOSA-N 1 0 356.392 2.169 20 30 FEEDRO C=CCNC(=O)c1ccc(NC2CC[NH+](Cc3ccccn3)CC2)nc1 ZINC000264844596 550002018 /nfs/dbraw/zinc/00/20/18/550002018.db2.gz HLVDQXDBLNIFLA-UHFFFAOYSA-N 1 0 351.454 2.469 20 30 FEEDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)NCC#Cc2ccccc2)[C@H](C)C1 ZINC000265156401 550006547 /nfs/dbraw/zinc/00/65/47/550006547.db2.gz CZJSOGKYCFOBJE-QUCCMNQESA-N 1 0 357.498 2.474 20 30 FEEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)NCC[N@H+](C)C1CC1 ZINC000265395311 550009416 /nfs/dbraw/zinc/00/94/16/550009416.db2.gz QFONYDMAJPFMNI-ZDUSSCGKSA-N 1 0 360.483 2.087 20 30 FEEDRO CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCC(C(=O)Nc2ccc(O)cc2)CC1 ZINC000265974988 550015692 /nfs/dbraw/zinc/01/56/92/550015692.db2.gz BFQXIEADJPSKGN-OAHLLOKOSA-N 1 0 372.469 2.051 20 30 FEEDRO N#CCN1CCC[C@H](CNC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000266109446 550017203 /nfs/dbraw/zinc/01/72/03/550017203.db2.gz SJYNKENUHZJHJX-WOJBJXKFSA-N 1 0 354.498 2.250 20 30 FEEDRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N(C)C[C@H](C)C#N ZINC000266429279 550020536 /nfs/dbraw/zinc/02/05/36/550020536.db2.gz KLHLBHDXSIBWGF-OAHLLOKOSA-N 1 0 359.474 2.460 20 30 FEEDRO C#CCOc1ccccc1CNC(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000267264875 550029515 /nfs/dbraw/zinc/02/95/15/550029515.db2.gz DJIDESVRNPLGRA-UHFFFAOYSA-N 1 0 373.497 2.341 20 30 FEEDRO [NH2+]=C(NCCCc1c[nH]c2ccccc12)N1CCN(c2ncccn2)CC1 ZINC000267398026 550030944 /nfs/dbraw/zinc/03/09/44/550030944.db2.gz FHFUTWHUBDXDMZ-UHFFFAOYSA-N 1 0 363.469 2.027 20 30 FEEDRO C=CCC[C@H](O)C[N@@H+]1CCc2cc(OC)c(OC)cc2[C@H]1CC(=O)OC ZINC000268625023 550095948 /nfs/dbraw/zinc/09/59/48/550095948.db2.gz JIXKCXIBIJVGJS-DOTOQJQBSA-N 1 0 363.454 2.493 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1ccc(Cn2ccnc2)cn1 ZINC000491980157 561448660 /nfs/dbraw/zinc/44/86/60/561448660.db2.gz QHMOJIXQBOCQPP-UHFFFAOYSA-N 1 0 355.446 2.026 20 30 FEEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH2+][C@@H]1CCC[C@]1(C)CO ZINC000493444542 561456143 /nfs/dbraw/zinc/45/61/43/561456143.db2.gz WDDWOIMDTKGDLV-QKYXUNIQSA-N 1 0 359.470 2.471 20 30 FEEDRO N#Cc1ccc(CNC(=O)C[N@H+](Cc2ccccc2)[C@@H](CO)C2CC2)cc1 ZINC000270016447 550243790 /nfs/dbraw/zinc/24/37/90/550243790.db2.gz ZQBJRAIPYLIPDD-NRFANRHFSA-N 1 0 363.461 2.448 20 30 FEEDRO C[C@@]1(CO)CCC[C@@H]1[NH2+]CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000493709325 561457871 /nfs/dbraw/zinc/45/78/71/561457871.db2.gz QTLHCEBZIFDIRP-WMZOPIPTSA-N 1 0 368.399 2.314 20 30 FEEDRO C#CC[C@H](NC(=O)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1)c1ccccc1 ZINC000270438198 550272476 /nfs/dbraw/zinc/27/24/76/550272476.db2.gz JJDFLZSIZHVQEJ-PMACEKPBSA-N 1 0 356.514 2.322 20 30 FEEDRO CCOC(=O)C[C@@H](C)CNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000270470610 550275330 /nfs/dbraw/zinc/27/53/30/550275330.db2.gz BWBCDXDBMNPAAL-MRXNPFEDSA-N 1 0 374.485 2.221 20 30 FEEDRO CN(C)c1ncc(CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cn1 ZINC000271039945 550334098 /nfs/dbraw/zinc/33/40/98/550334098.db2.gz MGHDPJUMOSWUCQ-UHFFFAOYSA-N 1 0 350.470 2.122 20 30 FEEDRO COCCn1cc(CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cn1 ZINC000271050137 550335240 /nfs/dbraw/zinc/33/52/40/550335240.db2.gz UYOGFEHGXMZHIG-UHFFFAOYSA-N 1 0 353.470 2.109 20 30 FEEDRO C#CC[C@H]([NH2+]Cc1cc(=O)n2ncc(C(=O)OCC)c2[nH]1)c1ccccc1 ZINC000271658652 550393328 /nfs/dbraw/zinc/39/33/28/550393328.db2.gz CSBALVGECWIFRV-KRWDZBQOSA-N 1 0 364.405 2.466 20 30 FEEDRO C[C@@H]([NH2+]CC(=O)Nc1sccc1C#N)c1ccc2c(c1)CC(=O)N2C ZINC000271777751 550401112 /nfs/dbraw/zinc/40/11/12/550401112.db2.gz FMICQRABCWOHMV-LLVKDONJSA-N 1 0 354.435 2.428 20 30 FEEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)NCC1=CC[N@H+](C)CC1 ZINC000271945341 550412321 /nfs/dbraw/zinc/41/23/21/550412321.db2.gz XHMNYVJMVQYJGZ-CQSZACIVSA-N 1 0 372.494 2.255 20 30 FEEDRO CCOC(=O)N1CCC([NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000272228979 550430111 /nfs/dbraw/zinc/43/01/11/550430111.db2.gz QXPJYUYGLVGGLR-SFHVURJKSA-N 1 0 370.453 2.264 20 30 FEEDRO C=CCN(CCc1ccco1)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000272418554 550446213 /nfs/dbraw/zinc/44/62/13/550446213.db2.gz BBUFJIPLUYLLNM-MOPGFXCFSA-N 1 0 361.486 2.398 20 30 FEEDRO C=CCS(=O)(=O)CC[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000272809774 550471771 /nfs/dbraw/zinc/47/17/71/550471771.db2.gz GSYKIVHFFCOXIF-UHFFFAOYSA-N 1 0 358.467 2.154 20 30 FEEDRO C=CCN(C(=O)CC[C@H]1CCC[NH2+]1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000494531553 561471283 /nfs/dbraw/zinc/47/12/83/561471283.db2.gz ZRUOQCTUFMKLTC-NVXWUHKLSA-N 1 0 354.458 2.270 20 30 FEEDRO C[NH+](C)CC1(CNC(=O)C(=O)Nc2ccc(C#N)cc2Cl)CCCC1 ZINC000273613020 550505134 /nfs/dbraw/zinc/50/51/34/550505134.db2.gz RRSJVGZFXCMNFX-UHFFFAOYSA-N 1 0 362.861 2.388 20 30 FEEDRO N#Cc1c[nH]c(-c2nc(-c3ccccc3C[N@H+]3CCC[C@@H]3C(N)=O)no2)c1 ZINC000273865617 550514036 /nfs/dbraw/zinc/51/40/36/550514036.db2.gz MLYKHDVQTJAHGW-MRXNPFEDSA-N 1 0 362.393 2.053 20 30 FEEDRO CCN(C[C@H](C)C#N)C(=O)CN[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000274796773 550555048 /nfs/dbraw/zinc/55/50/48/550555048.db2.gz DKPZWCWDUYHVKD-GGPKGHCWSA-N 1 0 356.514 2.495 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CCO[C@@H]2c2nccn2CC)CC1 ZINC000275630947 550573040 /nfs/dbraw/zinc/57/30/40/550573040.db2.gz NMKVUNJANXZTBW-IRXDYDNUSA-N 1 0 361.490 2.073 20 30 FEEDRO COc1ccc(C[NH2+]CC2(N3CCOCC3)CC2)cc1OCCCC#N ZINC000277432375 550669891 /nfs/dbraw/zinc/66/98/91/550669891.db2.gz CLAKJXLHGFGOCI-UHFFFAOYSA-N 1 0 359.470 2.332 20 30 FEEDRO C[C@H]1COCC[C@@H]1[NH2+]CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000277557202 550684153 /nfs/dbraw/zinc/68/41/53/550684153.db2.gz TXMPHWIEXBCROI-BBRMVZONSA-N 1 0 354.372 2.188 20 30 FEEDRO C[C@@H]1COCC[C@H]1[NH2+]CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000277557207 550684154 /nfs/dbraw/zinc/68/41/54/550684154.db2.gz TXMPHWIEXBCROI-CZUORRHYSA-N 1 0 354.372 2.188 20 30 FEEDRO C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000277626612 550693611 /nfs/dbraw/zinc/69/36/11/550693611.db2.gz ZMZBRHAGNHPFAL-GOEBONIOSA-N 1 0 370.453 2.049 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cc(C)c(OC)cc2C)CC1 ZINC000278012527 550738873 /nfs/dbraw/zinc/73/88/73/550738873.db2.gz FRWHGRBRSGTRIX-UHFFFAOYSA-N 1 0 359.470 2.407 20 30 FEEDRO COc1cc(C#N)ccc1OCCN1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000278628794 550805905 /nfs/dbraw/zinc/80/59/05/550805905.db2.gz KNBXTUKCZDNPOG-MRXNPFEDSA-N 1 0 359.470 2.131 20 30 FEEDRO C=CCOc1ccc(C[N@H+]2C[C@@H](CO)C[C@H](OCCOC)C2)cc1OC ZINC000278647770 550807800 /nfs/dbraw/zinc/80/78/00/550807800.db2.gz JNGAYBZKMCIJJE-ROUUACIJSA-N 1 0 365.470 2.106 20 30 FEEDRO C[NH+](C)[C@@H]1CCCN(S(=O)(=O)c2ccc(C#N)c(Br)c2)C1 ZINC000278826312 550826197 /nfs/dbraw/zinc/82/61/97/550826197.db2.gz ONKJUZBCUGDNOO-GFCCVEGCSA-N 1 0 372.288 2.035 20 30 FEEDRO COC[C@H]([NH2+]CC(=O)N(CCC#N)c1cccc(Cl)c1)[C@H]1CCCO1 ZINC000279083319 550853224 /nfs/dbraw/zinc/85/32/24/550853224.db2.gz OILXHXHFUDHTSP-DLBZAZTESA-N 1 0 365.861 2.370 20 30 FEEDRO N#CCCn1cc(C[N@@H+]2CCC[C@H](C3OCCO3)C2)c(-c2ccncc2)n1 ZINC000279356249 550881058 /nfs/dbraw/zinc/88/10/58/550881058.db2.gz GSGXFMXYEJHOJE-KRWDZBQOSA-N 1 0 367.453 2.444 20 30 FEEDRO C[N@@H+]1CC[C@H]2CCN(Cc3cn(CCC#N)nc3-c3ccncc3)[C@H]2C1 ZINC000279411101 550887305 /nfs/dbraw/zinc/88/73/05/550887305.db2.gz NVHOSNFTLMBHIF-LPHOPBHVSA-N 1 0 350.470 2.385 20 30 FEEDRO Cn1nccc1CN1C[C@@H](F)C[C@H]1C[N@H+](C)CC#Cc1ccc(F)cc1 ZINC000279785727 550928804 /nfs/dbraw/zinc/92/88/04/550928804.db2.gz UVTHJPRKWSABTA-ICSRJNTNSA-N 1 0 358.436 2.455 20 30 FEEDRO C#CCn1ccc(CN(CC)[C@@H](C)C(=O)Nc2ccc3c(c2)OCCO3)n1 ZINC000279816528 550932153 /nfs/dbraw/zinc/93/21/53/550932153.db2.gz YCLLGMOTPFVMLS-HNNXBMFYSA-N 1 0 368.437 2.137 20 30 FEEDRO C[C@H]1C[N@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@]2(CCOC2)O1 ZINC000280372966 550986758 /nfs/dbraw/zinc/98/67/58/550986758.db2.gz VMCQLKJXYQJSHO-YWZLYKJASA-N 1 0 352.438 2.339 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)NCc2ccc(NC(=O)N(C)C)cc2)CC1 ZINC000280807000 551034491 /nfs/dbraw/zinc/03/44/91/551034491.db2.gz HUGRDRRZSLQSAB-UHFFFAOYSA-N 1 0 359.474 2.230 20 30 FEEDRO N#Cc1ccc(C[C@H](C#N)C(=O)NC2CC[NH+](Cc3cccnc3)CC2)cc1 ZINC000280991970 551052718 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CN(CCC#N)C(=O)CC[NH+]1CCC(N2CCc3cc(F)ccc32)CC1 ZINC000282529543 551242489 /nfs/dbraw/zinc/24/24/89/551242489.db2.gz QHNPYUQVUNBXRE-UHFFFAOYSA-N 1 0 358.461 2.415 20 30 FEEDRO CCOCCCNC(=O)C1CC[NH+](CCOc2ccccc2C#N)CC1 ZINC000497613092 561504694 /nfs/dbraw/zinc/50/46/94/561504694.db2.gz VVYFZDMYEKFXQT-UHFFFAOYSA-N 1 0 359.470 2.192 20 30 FEEDRO C[C@H](CC#N)N(C)S(=O)(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000282956610 551289717 /nfs/dbraw/zinc/28/97/17/551289717.db2.gz KEWJBYDWUCEWMS-MRXNPFEDSA-N 1 0 364.515 2.241 20 30 FEEDRO C[C@@H](CC#N)N(C)S(=O)(=O)N1CCC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000282985309 551293612 /nfs/dbraw/zinc/29/36/12/551293612.db2.gz MJQWZJUPWZSBSP-IRXDYDNUSA-N 1 0 364.515 2.062 20 30 FEEDRO CC1CC[NH+](CCc2cccc(NC(=O)C(=O)N(C)CCC#N)c2)CC1 ZINC000283137846 551317501 /nfs/dbraw/zinc/31/75/01/551317501.db2.gz CURSWWVACVWMMP-UHFFFAOYSA-N 1 0 356.470 2.272 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(OC(F)F)cc2F)CC1 ZINC000283159997 551321348 /nfs/dbraw/zinc/32/13/48/551321348.db2.gz FCRFQRFXINTOQV-UHFFFAOYSA-N 1 0 371.359 2.132 20 30 FEEDRO C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccnc(OCC[NH+](C)C)c1 ZINC000497712174 561506930 /nfs/dbraw/zinc/50/69/30/561506930.db2.gz WXGCBWDZHJRELD-CQSZACIVSA-N 1 0 354.410 2.300 20 30 FEEDRO C=C(C)Cn1c(-c2cnn(C)c2)nnc1N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000283353646 551352245 /nfs/dbraw/zinc/35/22/45/551352245.db2.gz SGNXGZBWQCAQMX-INIZCTEOSA-N 1 0 357.506 2.423 20 30 FEEDRO CC#CC[NH+]1CCC(c2nnc3n2CCN(C(=O)OC(C)(C)C)C3)CC1 ZINC000283633564 551400434 /nfs/dbraw/zinc/40/04/34/551400434.db2.gz BWBRFJJFRQROKF-UHFFFAOYSA-N 1 0 359.474 2.232 20 30 FEEDRO N#Cc1ccc(N2C(=O)C[C@H]([NH+]3CCC4(CCOCC4)CC3)C2=O)cc1 ZINC000283817128 551432264 /nfs/dbraw/zinc/43/22/64/551432264.db2.gz DVJOCIYGVQILPD-KRWDZBQOSA-N 1 0 353.422 2.083 20 30 FEEDRO C[C@H](NC(=O)C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)c1ccc(C#N)cc1 ZINC000283977706 551461032 /nfs/dbraw/zinc/46/10/32/551461032.db2.gz LUZPVFOPGCFDFJ-QFBILLFUSA-N 1 0 368.481 2.212 20 30 FEEDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(=O)N(C)Cc2cccc(C#N)c2)C1 ZINC000284382049 551537201 /nfs/dbraw/zinc/53/72/01/551537201.db2.gz UXOSGICVYMQSIH-CALCHBBNSA-N 1 0 370.497 2.001 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H](C)Cc2ccccc2F)CC1 ZINC000284802427 551637567 /nfs/dbraw/zinc/63/75/67/551637567.db2.gz WWEVXIPLILFKJV-OAHLLOKOSA-N 1 0 361.461 2.030 20 30 FEEDRO CC[C@@](C)(C#N)C(=O)NCCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000285072888 551700297 /nfs/dbraw/zinc/70/02/97/551700297.db2.gz RMVOTUONLJFWRO-FQEVSTJZSA-N 1 0 358.486 2.263 20 30 FEEDRO C=CCN(CCc1ccco1)C(=O)C(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000285277699 551730669 /nfs/dbraw/zinc/73/06/69/551730669.db2.gz ZTOOYEOVKFUYQZ-IAGOWNOFSA-N 1 0 361.486 2.073 20 30 FEEDRO C[C@H]([NH2+][C@@H]1CCCN(S(=O)(=O)C2CC2)C1)c1ccc(OCC#N)cc1 ZINC000285702947 551797961 /nfs/dbraw/zinc/79/79/61/551797961.db2.gz PAVCWIWCJADBME-GOEBONIOSA-N 1 0 363.483 2.196 20 30 FEEDRO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1C[C@H](N2CCOCC2)C[C@H]1C ZINC000285771436 551808249 /nfs/dbraw/zinc/80/82/49/551808249.db2.gz DMBCBSOFXNYWJR-QWFCFKBJSA-N 1 0 370.497 2.117 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCCCOc2ccc(C)cc2)CC1 ZINC000285783642 551809934 /nfs/dbraw/zinc/80/99/34/551809934.db2.gz NLICEDIUHPIUGP-UHFFFAOYSA-N 1 0 373.497 2.037 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H](c2ncccc2C)C(C)C)CC1 ZINC000286363817 551878937 /nfs/dbraw/zinc/87/89/37/551878937.db2.gz CBZPWDUFWCMXJE-GOSISDBHSA-N 1 0 372.513 2.360 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@H](c2cccnc2)C(C)C)CC1 ZINC000286740579 551920937 /nfs/dbraw/zinc/92/09/37/551920937.db2.gz SDZDCVHAGURVCC-IBGZPJMESA-N 1 0 372.513 2.094 20 30 FEEDRO C[C@@H](O)C[NH+]1CCN(c2c(C#N)cnc3c(F)c(F)c(F)cc32)CC1 ZINC000286795777 551926656 /nfs/dbraw/zinc/92/66/56/551926656.db2.gz WBNZXVWIHCUXKU-SNVBAGLBSA-N 1 0 350.344 2.027 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[C@@H](c3ccc(F)cc3)C2)CC1 ZINC000286825113 551930007 /nfs/dbraw/zinc/93/00/07/551930007.db2.gz WUEDJMWENFBKLU-APWZRJJASA-N 1 0 373.472 2.345 20 30 FEEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000287099798 551963350 /nfs/dbraw/zinc/96/33/50/551963350.db2.gz JCCXRLGKXRHOAB-ROUUACIJSA-N 1 0 373.497 2.199 20 30 FEEDRO C#CCN(Cc1ccccc1)C(=O)NC[C@H](C)C[NH+]1CCN(CC)CC1 ZINC000287397448 551998729 /nfs/dbraw/zinc/99/87/29/551998729.db2.gz IXTJORBPKLVRNM-IBGZPJMESA-N 1 0 356.514 2.105 20 30 FEEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NS(=O)(=O)c1ccc(C#N)o1 ZINC000288191057 552107480 /nfs/dbraw/zinc/10/74/80/552107480.db2.gz PRFFMWYTULJOCR-RHSMWYFYSA-N 1 0 359.451 2.340 20 30 FEEDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)C(=O)Nc1ccc(C#N)cc1Cl ZINC000288312179 552130860 /nfs/dbraw/zinc/13/08/60/552130860.db2.gz WYENTHFHBDLSLO-BLLLJJGKSA-N 1 0 360.845 2.235 20 30 FEEDRO C#CC[C@@H](Cc1ccccc1)NC(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000288518205 552167757 /nfs/dbraw/zinc/16/77/57/552167757.db2.gz PCDCIDRSDAJLEA-QUCCMNQESA-N 1 0 357.498 2.421 20 30 FEEDRO C=C(C)CN(CC)C(=O)C(=O)N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000289227572 552285612 /nfs/dbraw/zinc/28/56/12/552285612.db2.gz SZRNUSRDJJAWQM-MJGOQNOKSA-N 1 0 357.498 2.438 20 30 FEEDRO CN(CCC#N)C(=O)CC[NH2+][C@@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 ZINC000289452012 552324026 /nfs/dbraw/zinc/32/40/26/552324026.db2.gz UVYIYQQQWCLQFI-AEFFLSMTSA-N 1 0 350.413 2.062 20 30 FEEDRO C=CC[C@H](CO)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000289590452 552345601 /nfs/dbraw/zinc/34/56/01/552345601.db2.gz UDHWPAQWVGPHIR-LLVKDONJSA-N 1 0 362.167 2.226 20 30 FEEDRO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2S(=O)(=O)c1cncc(C#N)c1 ZINC000289648372 552355762 /nfs/dbraw/zinc/35/57/62/552355762.db2.gz GCEGNJHNCXZHOS-HKUYNNGSSA-N 1 0 368.462 2.258 20 30 FEEDRO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC[C@@H](N2CCOCC2)[C@H]1C ZINC000289941630 552403330 /nfs/dbraw/zinc/40/33/30/552403330.db2.gz VKOQOFSSBLVOSP-WSTZPKSXSA-N 1 0 370.497 2.117 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)Nc1ccc(C#N)c(F)c1)C(C)C ZINC000290194503 552441023 /nfs/dbraw/zinc/44/10/23/552441023.db2.gz HCXQOFCSUFBMIF-SFHVURJKSA-N 1 0 372.444 2.451 20 30 FEEDRO COc1ccc(CNC(=[NH2+])NC[C@]2(CO)C[C@H]2c2ccccc2)cc1OC ZINC000290518210 552491805 /nfs/dbraw/zinc/49/18/05/552491805.db2.gz JBUZFFNBUMJOSZ-UWJYYQICSA-N 1 0 369.465 2.274 20 30 FEEDRO N#Cc1ccc(NC(=O)C(=O)NC2CC[NH+](C3CCCC3)CC2)cc1F ZINC000290683017 552519144 /nfs/dbraw/zinc/51/91/44/552519144.db2.gz DWXDTGZPAFQBCV-UHFFFAOYSA-N 1 0 358.417 2.159 20 30 FEEDRO C=C(C)Cn1c(-c2ccc[nH]2)nnc1N1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000291048487 552580535 /nfs/dbraw/zinc/58/05/35/552580535.db2.gz OSEVZJMAHHBBSC-KRWDZBQOSA-N 1 0 369.517 2.066 20 30 FEEDRO COCC[NH+](CCOC)C1CCN(c2ccc(C#N)c([N+](=O)[O-])c2)CC1 ZINC000291128661 552590522 /nfs/dbraw/zinc/59/05/22/552590522.db2.gz MYJMRXRKDORRQE-UHFFFAOYSA-N 1 0 362.430 2.030 20 30 FEEDRO C[C@@H]([NH2+][C@H](C)c1ccc(N2CCCNC2=O)cc1)C(=O)N(C)CCC#N ZINC000291195995 552598527 /nfs/dbraw/zinc/59/85/27/552598527.db2.gz 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C=CC[NH+](CC=C)[C@@H](CNC(=O)c1cc(Cn2cccn2)on1)C(C)C ZINC000292144052 552698120 /nfs/dbraw/zinc/69/81/20/552698120.db2.gz FERXQMSPOSJOFW-SFHVURJKSA-N 1 0 357.458 2.348 20 30 FEEDRO Cc1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292280564 552711858 /nfs/dbraw/zinc/71/18/58/552711858.db2.gz SUIYFUKADLFOQV-ZWKOTPCHSA-N 1 0 353.422 2.155 20 30 FEEDRO N#Cc1cccc(OC2CC[NH+](C[C@@H](O)COCC(F)(F)F)CC2)c1 ZINC000292638151 552745383 /nfs/dbraw/zinc/74/53/83/552745383.db2.gz ODYOJSNWCUGXMX-CQSZACIVSA-N 1 0 358.360 2.341 20 30 FEEDRO N#Cc1ccc(O[C@@H]2CCN(C(=O)NC[C@H]3CCCC[N@@H+]3C3CC3)C2)nc1 ZINC000292699919 552750621 /nfs/dbraw/zinc/75/06/21/552750621.db2.gz QOWUHHMDTPLMME-QZTJIDSGSA-N 1 0 369.469 2.133 20 30 FEEDRO C=C[C@H](CO)NC(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000292933005 552772336 /nfs/dbraw/zinc/77/23/36/552772336.db2.gz KLXZNUUOXZKUOP-ZENOOKHLSA-N 1 0 355.841 2.318 20 30 FEEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)NC[C@H](C)C[NH+](C)C ZINC000293179889 552796448 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CCc1ccc(C#CC(=O)N2CCC([NH+](CCOC)CCOC)CC2)cc1 ZINC000293670460 552845726 /nfs/dbraw/zinc/84/57/26/552845726.db2.gz OTBWQIXOVXZYCH-UHFFFAOYSA-N 1 0 372.509 2.186 20 30 FEEDRO C#CCNC(=O)CC[NH2+][C@H](C)c1ccc(OCc2ccncc2)c(OC)c1 ZINC000293827943 552860135 /nfs/dbraw/zinc/86/01/35/552860135.db2.gz PMRAOISSFNOQPD-MRXNPFEDSA-N 1 0 367.449 2.459 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000293958708 552870809 /nfs/dbraw/zinc/87/08/09/552870809.db2.gz KTCOILXFMZMEIG-UHFFFAOYSA-N 1 0 352.394 2.342 20 30 FEEDRO C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000501795510 561605467 /nfs/dbraw/zinc/60/54/67/561605467.db2.gz YTSQTZCBDKYMCH-LZJOCLMNSA-N 1 0 354.498 2.390 20 30 FEEDRO COCC[N@H+](C)CCCNC(=O)c1ccc(Br)cc1C#N ZINC000294523586 552912772 /nfs/dbraw/zinc/91/27/72/552912772.db2.gz PCHNRKAOGRPWER-UHFFFAOYSA-N 1 0 354.248 2.019 20 30 FEEDRO C#CCO[C@H](C)C(=O)N[C@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1 ZINC000294556853 552915659 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C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CCC[C@H](OC(=O)N(C)C)C1 ZINC000295717622 553049641 /nfs/dbraw/zinc/04/96/41/553049641.db2.gz VBVSFRAADPIEQT-WMZOPIPTSA-N 1 0 372.469 2.484 20 30 FEEDRO N#Cc1ccccc1NC(=O)CC[N@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000295770864 553056826 /nfs/dbraw/zinc/05/68/26/553056826.db2.gz YMNCNXVKDQRQAV-DOTOQJQBSA-N 1 0 362.433 2.168 20 30 FEEDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1S(=O)(=O)Cc1ccc(F)cc1C#N ZINC000295980980 553084660 /nfs/dbraw/zinc/08/46/60/553084660.db2.gz LALLTRFFULPKKW-SUMWQHHRSA-N 1 0 351.447 2.086 20 30 FEEDRO C=CCOc1cccc(NC(=O)C(=O)NC2CC[NH+](C3CCC3)CC2)c1 ZINC000296216951 553124382 /nfs/dbraw/zinc/12/43/82/553124382.db2.gz PKPPQKRLNCWLNF-UHFFFAOYSA-N 1 0 357.454 2.323 20 30 FEEDRO C#CC[N@@H+](C)CCCNC(=O)N[C@@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000296889381 553225558 /nfs/dbraw/zinc/22/55/58/553225558.db2.gz MFIWJJDAVYTQOP-HNNXBMFYSA-N 1 0 371.485 2.286 20 30 FEEDRO COCCOc1ccc(C#N)cc1NC(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000297030626 553244484 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FEEDRO C[NH+](C)CCOc1ccc(CNS(=O)(=O)Cc2cccc(C#N)c2)cc1 ZINC000298831863 553478761 /nfs/dbraw/zinc/47/87/61/553478761.db2.gz ANEOTEIQWCIVHP-UHFFFAOYSA-N 1 0 373.478 2.118 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H](CCSC)NC(=O)CC)C(C)C ZINC000298923490 553490387 /nfs/dbraw/zinc/49/03/87/553490387.db2.gz BPXCNVANETUYBA-IAGOWNOFSA-N 1 0 369.575 2.449 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)[C@H](C)Sc1nncn1C)C(C)C ZINC000299145772 553521180 /nfs/dbraw/zinc/52/11/80/553521180.db2.gz PSOGAWBQCYMONN-LSDHHAIUSA-N 1 0 351.520 2.111 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)CCCNC(=O)c1ccc(F)cc1 ZINC000299685897 553601831 /nfs/dbraw/zinc/60/18/31/553601831.db2.gz XHKGSANNNYNVKC-UHFFFAOYSA-N 1 0 362.449 2.030 20 30 FEEDRO C=CC[NH+]1CCC(Nc2ccc(C(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1 ZINC000301383803 553647425 /nfs/dbraw/zinc/64/74/25/553647425.db2.gz BJEGZVWMCMUZEY-UHFFFAOYSA-N 1 0 374.441 2.130 20 30 FEEDRO CO[C@@H](C)c1noc(CN2CCCN(c3c(C#N)cccc3C#N)CC2)n1 ZINC000302905227 553741532 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20 30 FEEDRO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CCC[C@@H](Cn2ccnn2)C1 ZINC000328660754 553803903 /nfs/dbraw/zinc/80/39/03/553803903.db2.gz VXFOPFGLUFCTEC-RTBURBONSA-N 1 0 368.485 2.179 20 30 FEEDRO O=C(N[C@H]1CCCC12CCOCC2)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000328668530 553804970 /nfs/dbraw/zinc/80/49/70/553804970.db2.gz DSTAFISKFFESOU-MSOLQXFVSA-N 1 0 365.518 2.294 20 30 FEEDRO CC(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000328685541 553807142 /nfs/dbraw/zinc/80/71/42/553807142.db2.gz XNMKCBWXFIYEGF-KSZLIROESA-N 1 0 353.507 2.006 20 30 FEEDRO CC[N@@H+]1C[C@H](C)N(C(=O)C2CCN(c3oc(C)nc3C#N)CC2)C[C@@H]1C ZINC000328720167 553812260 /nfs/dbraw/zinc/81/22/60/553812260.db2.gz GPQUDURWFJTFBY-KBPBESRZSA-N 1 0 359.474 2.012 20 30 FEEDRO C[C@@H](NC(=O)C1CCCC1)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000328753768 553817166 /nfs/dbraw/zinc/81/71/66/553817166.db2.gz SHYBTKYQFISWCN-HUUCEWRRSA-N 1 0 351.491 2.233 20 30 FEEDRO CC1(C)CN(CCNC(=O)N2CCNC(=O)[C@H]2c2ccccc2)CCO1 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C[N@@H+]1CCC[C@@H]2CN(C(=O)N[C@@H]3CC(=O)N(C4CCCCC4)C3)CC[C@H]21 ZINC000329161106 553892282 /nfs/dbraw/zinc/89/22/82/553892282.db2.gz YSNDCXRDQHZTQN-JFIYKMOQSA-N 1 0 362.518 2.250 20 30 FEEDRO C[C@@H]1C[C@H](NC(=O)N(C)C[C@@H]2CCC[N@H+](C)[C@H]2c2ccnn2C)CCO1 ZINC000329162489 553893116 /nfs/dbraw/zinc/89/31/16/553893116.db2.gz FVJHZXOTHLNQLK-KYHPRHEASA-N 1 0 363.506 2.216 20 30 FEEDRO CCSc1cc(C(=O)NC2CC[NH+]([C@H]3CCN(C)C3=O)CC2)ccn1 ZINC000329169471 553894712 /nfs/dbraw/zinc/89/47/12/553894712.db2.gz JPSVRVWIPMVRKR-HNNXBMFYSA-N 1 0 362.499 2.193 20 30 FEEDRO COc1cc(C)sc1C(=O)NC1CC[NH+]([C@@H]2CCN(C)C2=O)CC1 ZINC000329206837 553902308 /nfs/dbraw/zinc/90/23/08/553902308.db2.gz YJNZMUIREKJRSC-CYBMUJFWSA-N 1 0 351.472 2.065 20 30 FEEDRO Cc1nn(C)c2[nH]c(=O)c(CCC(=O)NCC3=CC[N@H+](C)CC3)c(C)c12 ZINC000329217734 553905015 /nfs/dbraw/zinc/90/50/15/553905015.db2.gz QQRZMEVVCFXCPC-UHFFFAOYSA-N 1 0 357.458 2.442 20 30 FEEDRO CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCN(S(=O)(=O)C2CC2)C1 ZINC000329255188 553911809 /nfs/dbraw/zinc/91/18/09/553911809.db2.gz DHGYOCATBKXESX-ZBFHGGJFSA-N 1 0 357.520 2.162 20 30 FEEDRO CC(C)[C@@H]1CN(CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)CCO1 ZINC000329255931 553912333 /nfs/dbraw/zinc/91/23/33/553912333.db2.gz XIZAMYHELQWDGK-SFHVURJKSA-N 1 0 367.534 2.335 20 30 FEEDRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)[C@@H]2CC[C@H](C(=O)N(C)C)O2)C1 ZINC000329261844 553912778 /nfs/dbraw/zinc/91/27/78/553912778.db2.gz ZGBHVVLOVHNIQY-XUWVNRHRSA-N 1 0 353.507 2.335 20 30 FEEDRO Cc1nc([C@@H]2CN(C(=O)NC[C@]3([NH+](C)C)CCC[C@@H](C)C3)CCO2)no1 ZINC000329264360 553913407 /nfs/dbraw/zinc/91/34/07/553913407.db2.gz BWFCPQMHKRFJIM-XUWXXGDYSA-N 1 0 365.478 2.176 20 30 FEEDRO CC(C)C1CCN(C(=O)Nc2ccnc(C(=O)N3CCN(C)CC3)c2)CC1 ZINC000329293535 553919207 /nfs/dbraw/zinc/91/92/07/553919207.db2.gz RPLJEBXRILAFEM-UHFFFAOYSA-N 1 0 373.501 2.383 20 30 FEEDRO CC[C@H]1CN(C(=O)Nc2cccc3c2OCCC3=O)C[C@H]1N1CCOCC1 ZINC000329355582 553930427 /nfs/dbraw/zinc/93/04/27/553930427.db2.gz VUHRNGMWACADDK-WMLDXEAASA-N 1 0 373.453 2.240 20 30 FEEDRO CC(=O)N[C@@H]1CCCN(C(=O)C[NH2+][C@H](c2ccccc2)[C@@H]2CCOC2)C1 ZINC000329395762 553938241 /nfs/dbraw/zinc/93/82/41/553938241.db2.gz UDVFQQBMNRGPKG-QWFCFKBJSA-N 1 0 359.470 2.321 20 30 FEEDRO C[C@H](CCNC(=O)N1CCC[C@@H]1[C@@H]1COCC[C@H]1O)[NH+]1CCCCC1 ZINC000329473873 553953302 /nfs/dbraw/zinc/95/33/02/553953302.db2.gz BKPKQYMADRNYGD-XMTFNYHQSA-N 1 0 353.507 2.027 20 30 FEEDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(C)Cc2cnc(N(C)C)nc2)C1 ZINC000329496457 553957639 /nfs/dbraw/zinc/95/76/39/553957639.db2.gz JAQCRNOKEMGOON-OAHLLOKOSA-N 1 0 362.522 2.399 20 30 FEEDRO C[C@@H](NC(=O)c1cccc(N2CCCS2(=O)=O)c1)C1=CC[N@H+](C)CC1 ZINC000329533745 553963342 /nfs/dbraw/zinc/96/33/42/553963342.db2.gz YFERMKKRYWLKES-CQSZACIVSA-N 1 0 363.483 2.182 20 30 FEEDRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)NC[C@@H]2CCCCS2(=O)=O)C1 ZINC000329628221 553978735 /nfs/dbraw/zinc/97/87/35/553978735.db2.gz HEBLKECTXSVDRN-XHSDSOJGSA-N 1 0 373.563 2.214 20 30 FEEDRO [O-]C(=[NH+][C@H]1CCc2nc[nH]c2C1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000329634365 553980204 /nfs/dbraw/zinc/98/02/04/553980204.db2.gz XCDVHCYNLLUYIH-KSZLIROESA-N 1 0 365.481 2.245 20 30 FEEDRO CN1CCC([NH+]2CCC(NC(=O)c3cccc4nccnc43)CC2)CC1 ZINC000329666665 553985276 /nfs/dbraw/zinc/98/52/76/553985276.db2.gz LBCPXAFZBCGDDP-UHFFFAOYSA-N 1 0 353.470 2.493 20 30 FEEDRO CN1CCN(CC(=O)NCc2ccccc2C[NH+]2CCCCCC2)CC1=O ZINC000329671095 553986095 /nfs/dbraw/zinc/98/60/95/553986095.db2.gz RYVJXSSBFMGWIH-UHFFFAOYSA-N 1 0 372.513 2.293 20 30 FEEDRO C[NH+](C)[C@H]1CCCN(C(=O)NC[C@H]2CC[C@@H](c3nc(C4CC4)no3)O2)C1 ZINC000329701910 553991964 /nfs/dbraw/zinc/99/19/64/553991964.db2.gz HQWGXEMYXBSOOI-ZNMIVQPWSA-N 1 0 363.462 2.107 20 30 FEEDRO CC(C)c1nc([C@@H]2COCCN2C(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)no1 ZINC000329711947 553993570 /nfs/dbraw/zinc/99/35/70/553993570.db2.gz PGZQMMZAWFVDMQ-ZFWWWQNUSA-N 1 0 363.462 2.131 20 30 FEEDRO COCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3N2c2ncccn2)C1 ZINC000329722380 553995497 /nfs/dbraw/zinc/99/54/97/553995497.db2.gz FGMQDXGQZRJXTO-FJIDUMEYSA-N 1 0 373.501 2.291 20 30 FEEDRO CN1CN(C(=O)NC[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)CC1=O ZINC000329756349 554000817 /nfs/dbraw/zinc/00/08/17/554000817.db2.gz YPAZIFAAQNJPPW-LRDDRELGSA-N 1 0 368.840 2.117 20 30 FEEDRO C=CCOc1ccc(CN2CCCC[C@H]2CNS(C)(=O)=O)cc1OC ZINC000507114835 561718012 /nfs/dbraw/zinc/71/80/12/561718012.db2.gz AHKCNCBOSPOIPW-INIZCTEOSA-N 1 0 368.499 2.164 20 30 FEEDRO CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@H]2CCCN(c3ccc(C)nn3)C2)C1 ZINC000329778694 554004003 /nfs/dbraw/zinc/00/40/03/554004003.db2.gz QIGNAFRDEQBRII-DLBZAZTESA-N 1 0 360.506 2.084 20 30 FEEDRO Cc1ccc(N2CCC[C@H](NC(=O)NC[C@H]3CC[N@@H+](CC(C)C)C3)C2)nn1 ZINC000329790148 554006878 /nfs/dbraw/zinc/00/68/78/554006878.db2.gz CQHYEKBKGJVVOC-MSOLQXFVSA-N 1 0 374.533 2.235 20 30 FEEDRO C[C@H](C[C@@H]1CCCO1)NC(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000329806468 554009281 /nfs/dbraw/zinc/00/92/81/554009281.db2.gz NYGCCKUZETZKND-MSOLQXFVSA-N 1 0 366.550 2.398 20 30 FEEDRO CO[C@H]1C[C@H](C(=O)NCC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)N(C(C)=O)C1 ZINC000329870723 554022277 /nfs/dbraw/zinc/02/22/77/554022277.db2.gz AFNFVDAWSQOLBS-HDEZJCGLSA-N 1 0 353.507 2.335 20 30 FEEDRO CCN1CCCN(C(=O)N[C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)CC1=O ZINC000329869237 554022407 /nfs/dbraw/zinc/02/24/07/554022407.db2.gz YMMWGZZHPSBORL-SJLPKXTDSA-N 1 0 358.486 2.290 20 30 FEEDRO CCC1(CC)CN(CC(=O)NC2CC[NH+](C3CC3)CC2)CC[S@]1=O ZINC000329890893 554025486 /nfs/dbraw/zinc/02/54/86/554025486.db2.gz GZQDISIEHSRDFA-XMMPIXPASA-N 1 0 355.548 2.193 20 30 FEEDRO CC(C)C[C@]1(CO)CCCN1C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000329946315 554036562 /nfs/dbraw/zinc/03/65/62/554036562.db2.gz XUEABYMFUTVTNW-HBFSDRIKSA-N 1 0 367.534 2.151 20 30 FEEDRO CC[NH+]1CCN(c2cccc(NC(=O)N3C[C@@H]4CC[C@@H](O)[C@@H]4C3)c2)CC1 ZINC000329981909 554043343 /nfs/dbraw/zinc/04/33/43/554043343.db2.gz OEXNBUSYJOWZGX-KFKAGJAMSA-N 1 0 358.486 2.077 20 30 FEEDRO O=C(NCC1([NH+]2CCCC2)CCOCC1)N[C@@H]1CCC[C@@H]2OCC[C@@H]21 ZINC000329991527 554045770 /nfs/dbraw/zinc/04/57/70/554045770.db2.gz WZRWUOQRFLYCOP-ZACQAIPSSA-N 1 0 351.491 2.093 20 30 FEEDRO CC(C)[C@H](NC(=O)c1ccccn1)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000330084308 554061679 /nfs/dbraw/zinc/06/16/79/554061679.db2.gz BYFJDUHBMSHKCT-JQHSSLGASA-N 1 0 358.486 2.354 20 30 FEEDRO CC(C)(CC[NH+]1CCCCCC1)NC(=O)N[C@H]1CCCS(=O)(=O)C1 ZINC000330092715 554063343 /nfs/dbraw/zinc/06/33/43/554063343.db2.gz ZBIJMMHLYHNVLH-HNNXBMFYSA-N 1 0 359.536 2.112 20 30 FEEDRO CC(C)C[NH+]1CCC(NC(=O)[C@H](C)S(=O)(=O)C2CCOCC2)CC1 ZINC000330151603 554074475 /nfs/dbraw/zinc/07/44/75/554074475.db2.gz NOEYKIVIAJGEAM-AWEZNQCLSA-N 1 0 360.520 2.046 20 30 FEEDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CC(=O)N(CC(F)(F)F)C2)C1 ZINC000330193745 554082289 /nfs/dbraw/zinc/08/22/89/554082289.db2.gz YSSIXHCOTSRBFE-GFCCVEGCSA-N 1 0 364.412 2.075 20 30 FEEDRO CCC[NH+]1CCC(N(C)C(=O)N[C@H]2CCOC3(CCOCC3)C2)CC1 ZINC000330212813 554086319 /nfs/dbraw/zinc/08/63/19/554086319.db2.gz DXLSDJKSDUPJSG-INIZCTEOSA-N 1 0 353.507 2.435 20 30 FEEDRO Cc1cc([C@@H]2CCCN2C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)on1 ZINC000330212076 554086406 /nfs/dbraw/zinc/08/64/06/554086406.db2.gz DKMLGUFVHNLOHQ-IKGGRYGDSA-N 1 0 362.474 2.412 20 30 FEEDRO O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)N1CCC[C@H](OCC2CC2)C1 ZINC000330242842 554091703 /nfs/dbraw/zinc/09/17/03/554091703.db2.gz CHIGGJDHGXSSDU-OTWHNJEPSA-N 1 0 365.518 2.169 20 30 FEEDRO CC(=O)N[C@H](CC1CCC1)C(=O)N1CCN(Cc2c(C)noc2C)CC1 ZINC000330273211 554097277 /nfs/dbraw/zinc/09/72/77/554097277.db2.gz YWGMKFXTVQKMOI-GOSISDBHSA-N 1 0 362.474 2.471 20 30 FEEDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NCc1ccc2c(c1)COC2 ZINC000330271051 554097316 /nfs/dbraw/zinc/09/73/16/554097316.db2.gz VHSBYISGIXOTND-OAHLLOKOSA-N 1 0 359.470 2.316 20 30 FEEDRO Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NC(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000330275100 554097826 /nfs/dbraw/zinc/09/78/26/554097826.db2.gz LAZGHKSQPXXHRV-KEYYUXOJSA-N 1 0 352.504 2.261 20 30 FEEDRO C[C@@H]1C[C@H](NC(=O)N2CC[C@@H](C(=O)N(C)c3ccccc3)C2)CC[N@@H+]1C ZINC000330291566 554100263 /nfs/dbraw/zinc/10/02/63/554100263.db2.gz GNSGOBHGZDBFBB-BRWVUGGUSA-N 1 0 358.486 2.368 20 30 FEEDRO CC[NH+]1CCN(c2ccccc2NC(=O)c2cc3n(n2)CCCO3)CC1 ZINC000330351889 554110228 /nfs/dbraw/zinc/11/02/28/554110228.db2.gz MVXYJRSJGWYQOZ-UHFFFAOYSA-N 1 0 355.442 2.444 20 30 FEEDRO Cc1c([C@@H]2[C@H](C(=O)NCC3([NH+](C)C)CCCC3)CC(=O)N2C)cnn1C ZINC000330362069 554112217 /nfs/dbraw/zinc/11/22/17/554112217.db2.gz ZCHZPAYSIMMJKI-PBHICJAKSA-N 1 0 361.490 2.079 20 30 FEEDRO CC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000330377005 554113437 /nfs/dbraw/zinc/11/34/37/554113437.db2.gz PSONXLKSLYXZFS-LBPRGKRZSA-N 1 0 361.389 2.340 20 30 FEEDRO C[C@@H](CC#N)N(C)S(=O)(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000330424126 554119882 /nfs/dbraw/zinc/11/98/82/554119882.db2.gz UEPBFILVBRCLIX-INIZCTEOSA-N 1 0 364.515 2.241 20 30 FEEDRO CC(C)C[NH+]1CCC(NC(=O)N[C@H](C)C(=O)N2CCCC[C@H]2C)CC1 ZINC000330435691 554121541 /nfs/dbraw/zinc/12/15/41/554121541.db2.gz MAESMQPHIGNZEQ-HZPDHXFCSA-N 1 0 352.523 2.400 20 30 FEEDRO CC(C)[N@H+](C)CCNC(=O)N1CCC(C(=O)NC2CCCCC2)CC1 ZINC000330437309 554121877 /nfs/dbraw/zinc/12/18/77/554121877.db2.gz NCFGCOYZMAXEQF-UHFFFAOYSA-N 1 0 352.523 2.402 20 30 FEEDRO CC(=O)N1CC[C@H](NC(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)cc2)C1 ZINC000330442814 554122183 /nfs/dbraw/zinc/12/21/83/554122183.db2.gz PSDUBYOGFCBGQA-HOTGVXAUSA-N 1 0 352.866 2.067 20 30 FEEDRO CC(=O)N(C)C1CCN(C(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000330452995 554123688 /nfs/dbraw/zinc/12/36/88/554123688.db2.gz ZWRMBOUEQMGCKX-HZPDHXFCSA-N 1 0 352.523 2.211 20 30 FEEDRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N2CCC[C@H](CNC(N)=O)C2)C1 ZINC000330483796 554127299 /nfs/dbraw/zinc/12/72/99/554127299.db2.gz VOJCXGGWKIGYJZ-OWCLPIDISA-N 1 0 367.538 2.451 20 30 FEEDRO CC(C)CNC(=O)N1CCC[C@H](C(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)C1 ZINC000330568669 554138855 /nfs/dbraw/zinc/13/88/55/554138855.db2.gz WWTRGWZOGURJIS-AEFFLSMTSA-N 1 0 366.550 2.457 20 30 FEEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2c(C)nn(CCOC)c2C)C[C@@H]1C ZINC000330641993 554149758 /nfs/dbraw/zinc/14/97/58/554149758.db2.gz DEUFFFIKMKXWSF-XJKSGUPXSA-N 1 0 351.495 2.496 20 30 FEEDRO Cc1ccc([C@H](CNC(=O)N2CC[S@](=O)[C@H](C)[C@H]2C)[NH+](C)C)cc1 ZINC000330828426 554176423 /nfs/dbraw/zinc/17/64/23/554176423.db2.gz JCVGQHXYNUNJMB-RVOSNRBYSA-N 1 0 351.516 2.353 20 30 FEEDRO CC(C)CNC(=O)N1CCC[C@@H](C(=O)N2CCC(C[NH+](C)C)CC2)C1 ZINC000330916686 554188241 /nfs/dbraw/zinc/18/82/41/554188241.db2.gz VKZADWLBYPTVND-QGZVFWFLSA-N 1 0 352.523 2.069 20 30 FEEDRO Cc1ccc(C(=O)NC[C@@]2([NH+](C)C)CCSC2)cc1NS(C)(=O)=O ZINC000331094731 554211650 /nfs/dbraw/zinc/21/16/50/554211650.db2.gz KOPMXPFISNHFAB-INIZCTEOSA-N 1 0 371.528 2.108 20 30 FEEDRO Cc1ncc(S(=O)(=O)NCC2CC[NH+](CCC(C)C)CC2)cc1C#N ZINC000331117791 554215964 /nfs/dbraw/zinc/21/59/64/554215964.db2.gz FGMPUKCJLZCEDE-UHFFFAOYSA-N 1 0 364.515 2.298 20 30 FEEDRO C[C@H](O)C[N@@H+]1CCN(C(=O)NCc2c(F)cc(F)c(F)c2F)C[C@@H]1C ZINC000331171233 554225380 /nfs/dbraw/zinc/22/53/80/554225380.db2.gz JMVXAAPMPHJYFW-UWVGGRQHSA-N 1 0 363.355 2.044 20 30 FEEDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)Nc1ccc(S(C)(=O)=O)nc1 ZINC000331260864 554237630 /nfs/dbraw/zinc/23/76/30/554237630.db2.gz KSDHBIZENRNQPI-OAHLLOKOSA-N 1 0 368.503 2.322 20 30 FEEDRO C[C@H]1C[N@@H+](C2CCN(C(=O)[C@H](C#N)CCc3ccccc3)CC2)CCO1 ZINC000331391200 554256556 /nfs/dbraw/zinc/25/65/56/554256556.db2.gz KBFVOQRDWSNDAO-HKUYNNGSSA-N 1 0 355.482 2.471 20 30 FEEDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000331480083 554271388 /nfs/dbraw/zinc/27/13/88/554271388.db2.gz JKTCDFSOASWRFK-IINYFYTJSA-N 1 0 373.400 2.338 20 30 FEEDRO C=C[C@H]1CCCC[N@@H+]1CC(=O)N1CCN(C(=O)Nc2ccccc2)CC1 ZINC000331562936 554285560 /nfs/dbraw/zinc/28/55/60/554285560.db2.gz UBWFNIZBKVVGDQ-SFHVURJKSA-N 1 0 356.470 2.403 20 30 FEEDRO Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N3CCC[C@@H]3C[NH+](C)C)C2)n1 ZINC000331606533 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CC(C)(C#N)CNC(=O)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000510639112 561841761 /nfs/dbraw/zinc/84/17/61/561841761.db2.gz PDMNIPBUCAEYFM-UHFFFAOYSA-N 1 0 356.470 2.319 20 30 FEEDRO Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N[C@@H]3C[C@H](C)[N@@H+](C4CC4)C3)C2)n1 ZINC000333055687 554565790 /nfs/dbraw/zinc/56/57/90/554565790.db2.gz MDUYQCQIKWDSIK-RYQLBKOJSA-N 1 0 367.497 2.220 20 30 FEEDRO C=C(C)CN(CC)C(=O)C[N@@H+]1CCC[C@H](CNC(=O)CC(F)(F)F)C1 ZINC000510922656 561850975 /nfs/dbraw/zinc/85/09/75/561850975.db2.gz UDFYUJAHBJVQDN-CQSZACIVSA-N 1 0 363.424 2.192 20 30 FEEDRO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)[C@H]2C1 ZINC000359991565 554858114 /nfs/dbraw/zinc/85/81/14/554858114.db2.gz DWXWACRMNBWOTK-VGWMRTNUSA-N 1 0 351.491 2.302 20 30 FEEDRO COCC[N@H+](C)CCCNC(=O)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000361789077 554935004 /nfs/dbraw/zinc/93/50/04/554935004.db2.gz OIIXRISPCPTXQT-UHFFFAOYSA-N 1 0 356.470 2.325 20 30 FEEDRO C=CCN=c1[nH]cc(C(=O)N2CCC3(C[C@@H]3C[N@@H+](C)C3CC3)CC2)s1 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UUARSCIFFDRNNA-UHFFFAOYSA-N 1 0 369.509 2.265 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N(C)C2CCN(c3ccc(OC)cc3)CC2)CC1 ZINC000363205900 555053227 /nfs/dbraw/zinc/05/32/27/555053227.db2.gz YODFOBIHRAWRGF-UHFFFAOYSA-N 1 0 369.509 2.468 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C2CCN(C(=O)c3ccc(CC)o3)CC2)CC1 ZINC000363255630 555064916 /nfs/dbraw/zinc/06/49/16/555064916.db2.gz ANDNMHDUBPXTNE-UHFFFAOYSA-N 1 0 373.497 2.461 20 30 FEEDRO C[C@@H](CC[NH+](C)C)NC(=O)NCC1CCN(c2ccccc2C#N)CC1 ZINC000363294710 555072729 /nfs/dbraw/zinc/07/27/29/555072729.db2.gz RPZSCIDXJIVAIE-INIZCTEOSA-N 1 0 357.502 2.414 20 30 FEEDRO C=CCOc1ccccc1C(=O)N1CCC[C@@H](C[NH+]2CCN(C)CC2)C1 ZINC000363382744 555091187 /nfs/dbraw/zinc/09/11/87/555091187.db2.gz ZUMXHEPVDTVCCN-SFHVURJKSA-N 1 0 357.498 2.351 20 30 FEEDRO N#Cc1ccccc1NC(=O)CC[N@@H+]1CCC[C@@H](N2CCCCC2=O)C1 ZINC000363501104 555121573 /nfs/dbraw/zinc/12/15/73/555121573.db2.gz ULQODMFTRQVUCR-QGZVFWFLSA-N 1 0 354.454 2.364 20 30 FEEDRO N#CCOc1ccc(/C=C/C(=O)N2CCC[N@@H+](C3CCOCC3)CC2)cc1 ZINC000363656473 555156792 /nfs/dbraw/zinc/15/67/92/555156792.db2.gz ZGTFYCPNBZLWGN-QPJJXVBHSA-N 1 0 369.465 2.315 20 30 FEEDRO CS[C@H]1CN(Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@@H]1[NH+](C)C ZINC000363689818 555164995 /nfs/dbraw/zinc/16/49/95/555164995.db2.gz OQKIQYMRYJDMEP-ROUUACIJSA-N 1 0 355.511 2.436 20 30 FEEDRO C[C@@H](NC(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1)C1=CC[N@H+](C)CC1 ZINC000363717301 555170727 /nfs/dbraw/zinc/17/07/27/555170727.db2.gz RXEFPNLTGMBAQH-CYBMUJFWSA-N 1 0 368.416 2.655 20 30 FEEDRO CCOc1ccc(C#N)cc1NC(=O)N1CCC[C@H]1C[N@@H+]1CCC[C@H]1CO ZINC000364122121 555254369 /nfs/dbraw/zinc/25/43/69/555254369.db2.gz AGBAAJIVODOZSQ-IRXDYDNUSA-N 1 0 372.469 2.410 20 30 FEEDRO C#CCn1ccc(CN(CCOC)C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)n1 ZINC000364184579 555264837 /nfs/dbraw/zinc/26/48/37/555264837.db2.gz CFNKRVYZCCDZRW-GOSISDBHSA-N 1 0 372.513 2.146 20 30 FEEDRO CC[NH+]1CCN([C@H](C)CNC(=O)C(C)(C)c2cc(F)cc(C#N)c2)CC1 ZINC000512333991 561900975 /nfs/dbraw/zinc/90/09/75/561900975.db2.gz LUKFPJXGAAOIBY-OAHLLOKOSA-N 1 0 360.477 2.117 20 30 FEEDRO N#CCCN(C(=O)CCC(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000365155290 555496951 /nfs/dbraw/zinc/49/69/51/555496951.db2.gz YBEIZUWUZVZPDX-MJGOQNOKSA-N 1 0 368.481 2.456 20 30 FEEDRO N#CCCN(C(=O)CCC(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000365155287 555497034 /nfs/dbraw/zinc/49/70/34/555497034.db2.gz YBEIZUWUZVZPDX-HKUYNNGSSA-N 1 0 368.481 2.456 20 30 FEEDRO N#Cc1ccc(OC(F)F)c(NC(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c1 ZINC000365187265 555505441 /nfs/dbraw/zinc/50/54/41/555505441.db2.gz RIUDYVSVPWBCQS-QWHCGFSZSA-N 1 0 366.368 2.144 20 30 FEEDRO C[N@H+](Cc1ccc(C#N)c(F)c1)C1CCN(CC(=O)N2CCCC2)CC1 ZINC000365234963 555519051 /nfs/dbraw/zinc/51/90/51/555519051.db2.gz QZOBZXGDGHPSGY-UHFFFAOYSA-N 1 0 358.461 2.216 20 30 FEEDRO N#Cc1ccc(CNC(=O)CN2CC[NH+](CCc3cccs3)CC2)cc1 ZINC000513450222 561938812 /nfs/dbraw/zinc/93/88/12/561938812.db2.gz HPICSDCEFXQUBO-UHFFFAOYSA-N 1 0 368.506 2.096 20 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ZINC000366526305 555867829 /nfs/dbraw/zinc/86/78/29/555867829.db2.gz NQWOHMAEDCDUGB-LJQANCHMSA-N 1 0 356.470 2.343 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)NCc2ccncc2OCC(F)(F)F)CC1 ZINC000514231183 561964814 /nfs/dbraw/zinc/96/48/14/561964814.db2.gz UAZVJDYWCBDUSS-UHFFFAOYSA-N 1 0 372.391 2.472 20 30 FEEDRO Cc1ccc(C#N)cc1NC(=O)N1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000367454801 556054192 /nfs/dbraw/zinc/05/41/92/556054192.db2.gz WVPRQKUVDQWMSI-INIZCTEOSA-N 1 0 355.486 2.499 20 30 FEEDRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@]2(C#N)CCc3ccccc3C2)C1 ZINC000367569722 556085748 /nfs/dbraw/zinc/08/57/48/556085748.db2.gz KHOVIGZFQAGSLS-TZIWHRDSSA-N 1 0 355.482 2.158 20 30 FEEDRO C[C@@H]1C[C@H](N2CCOCC2)CN1CC(=O)Nc1ccccc1SCC#N ZINC000367602527 556094466 /nfs/dbraw/zinc/09/44/66/556094466.db2.gz UHTKDMBSTSWYCM-CVEARBPZSA-N 1 0 374.510 2.036 20 30 FEEDRO C[C@@H]1C[C@H]([NH2+]C[C@@H](O)COc2ccc(C#N)cc2)C(=O)N1c1ccccc1 ZINC000514933606 561987686 /nfs/dbraw/zinc/98/76/86/561987686.db2.gz UXDFFUCAUUBXON-ZTNFWEORSA-N 1 0 365.433 2.082 20 30 FEEDRO COc1ccc(C[NH2+][C@H]2CCN(S(=O)(=O)c3ccccc3)C2)cc1C#N ZINC000367960509 556183075 /nfs/dbraw/zinc/18/30/75/556183075.db2.gz BYCUPPAGIZTCIM-KRWDZBQOSA-N 1 0 371.462 2.120 20 30 FEEDRO Cc1cc(N(CCC#N)C(=O)C[N@@H+]2CC[C@@H](CC(N)=O)C2)ccc1Cl ZINC000367982842 556187027 /nfs/dbraw/zinc/18/70/27/556187027.db2.gz LSRVWXKCARIWJE-AWEZNQCLSA-N 1 0 362.861 2.092 20 30 FEEDRO C=C(Cl)CNC(=O)c1nnn(-c2cccc3c2CC[N@@H+](CC)C3)c1C ZINC000368525216 556335195 /nfs/dbraw/zinc/33/51/95/556335195.db2.gz BXGNGMSVPRQZIH-UHFFFAOYSA-N 1 0 359.861 2.436 20 30 FEEDRO CCC[NH+]1CCN(C2CCN(C(=O)c3cccc(F)c3C#N)CC2)CC1 ZINC000368798230 556415632 /nfs/dbraw/zinc/41/56/32/556415632.db2.gz DZNWELLHPNQMQZ-UHFFFAOYSA-N 1 0 358.461 2.330 20 30 FEEDRO Cc1cc(S(=O)(=O)NC[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)ccc1C#N ZINC000368912586 556446654 /nfs/dbraw/zinc/44/66/54/556446654.db2.gz IGTDZQWKMRHINQ-HKUYNNGSSA-N 1 0 370.478 2.233 20 30 FEEDRO C[C@@H]1C[N@@H+](C2CCN(C(=O)CSc3ccc(C#N)cc3)CC2)CCO1 ZINC000368960643 556460381 /nfs/dbraw/zinc/46/03/81/556460381.db2.gz PGKFLRAYMTWUSV-OAHLLOKOSA-N 1 0 359.495 2.362 20 30 FEEDRO N#Cc1ccccc1NC(=O)CC[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000368999730 556472320 /nfs/dbraw/zinc/47/23/20/556472320.db2.gz GEXIKKJXYQIWGX-OAHLLOKOSA-N 1 0 368.397 2.329 20 30 FEEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000369064122 556494379 /nfs/dbraw/zinc/49/43/79/556494379.db2.gz LYTZYQVDMPERPS-HNNXBMFYSA-N 1 0 356.470 2.341 20 30 FEEDRO Cc1ccc([C@H](CNC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)[NH+]2CCCC2)o1 ZINC000369228073 556541460 /nfs/dbraw/zinc/54/14/60/556541460.db2.gz CUXGCMZSILKOQL-ROUUACIJSA-N 1 0 371.485 2.107 20 30 FEEDRO Cc1nc(CN2CCC[C@@H]([NH2+]Cc3ccc(O[C@@H](C)C#N)cc3)C2)no1 ZINC000369269867 556557128 /nfs/dbraw/zinc/55/71/28/556557128.db2.gz XCBWMLMUWBKAAX-WMLDXEAASA-N 1 0 355.442 2.423 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCN(c3ccc(F)cc3C)C2=O)CC1 ZINC000369424131 556597120 /nfs/dbraw/zinc/59/71/20/556597120.db2.gz IAMNKRFXFBJFFA-GOSISDBHSA-N 1 0 371.456 2.091 20 30 FEEDRO C[NH+]1CCC2(CCCN(S(=O)(=O)c3c(F)cc(C#N)cc3F)C2)CC1 ZINC000369715803 556676283 /nfs/dbraw/zinc/67/62/83/556676283.db2.gz XCICGWRRNPTYJL-UHFFFAOYSA-N 1 0 369.437 2.333 20 30 FEEDRO Cc1nc(C#N)c(N2CCC(C(=O)N[C@H]3CC[N@@H+](C4CCCC4)C3)CC2)o1 ZINC000370016493 556758482 /nfs/dbraw/zinc/75/84/82/556758482.db2.gz BKVAIACSCUNEPC-INIZCTEOSA-N 1 0 371.485 2.204 20 30 FEEDRO C=CCC[C@@H](O)C[N@H+]1CCCN(Cc2nc([C@@H](C)OCC)no2)CC1 ZINC000370494443 556889710 /nfs/dbraw/zinc/88/97/10/556889710.db2.gz DRKXSFREHJHDTF-HZPDHXFCSA-N 1 0 352.479 2.002 20 30 FEEDRO N#Cc1c(Cl)cccc1S(=O)(=O)N1CCC[C@@H]2C[NH2+]CCC[C@@H]21 ZINC000370607821 556920586 /nfs/dbraw/zinc/92/05/86/556920586.db2.gz ZDWSVGOEUSZFPU-DOMZBBRYSA-N 1 0 353.875 2.364 20 30 FEEDRO CN1CC[C@H]([NH2+]CC(=O)NCc2ccc(C#N)cc2)[C@@H]1c1ccc(F)cc1 ZINC000370730951 556952334 /nfs/dbraw/zinc/95/23/34/556952334.db2.gz RSAPHHQBFPSGGZ-FPOVZHCZSA-N 1 0 366.440 2.349 20 30 FEEDRO N#C[C@H]1CN(C(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)CCN1C1CC1 ZINC000370990707 557037970 /nfs/dbraw/zinc/03/79/70/557037970.db2.gz IGVNHTFQZUOUPE-PXNSSMCTSA-N 1 0 370.472 2.236 20 30 FEEDRO COCC[N@@H+]1CC[C@H](NC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)C1 ZINC000371052343 557059343 /nfs/dbraw/zinc/05/93/43/557059343.db2.gz IAOABCSXRWBCQL-FHWLQOOXSA-N 1 0 356.470 2.188 20 30 FEEDRO C#CCOc1ccc([C@H](C)[NH2+]C[C@H]2CCC[C@]23NC(=O)N(C)C3=O)cc1 ZINC000371479801 557194201 /nfs/dbraw/zinc/19/42/01/557194201.db2.gz JTHQCWSNAIQTJN-NBQZKYEYSA-N 1 0 355.438 2.070 20 30 FEEDRO C[N@@H+]1CC[C@@H]2CCN(S(=O)(=O)c3ccc(C#N)cc3C(F)(F)F)C[C@@H]21 ZINC000371505385 557203336 /nfs/dbraw/zinc/20/33/36/557203336.db2.gz IXDNJDMMVNYEGN-OCCSQVGLSA-N 1 0 373.400 2.292 20 30 FEEDRO CC(C)NC(=O)NCCN1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC000518175050 562105693 /nfs/dbraw/zinc/10/56/93/562105693.db2.gz AZNLBOSVFXTYFY-QGZVFWFLSA-N 1 0 363.893 2.230 20 30 FEEDRO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)COc1ccc(C#N)cc1 ZINC000371655041 557252547 /nfs/dbraw/zinc/25/25/47/557252547.db2.gz YCVKUVPHQCEHJG-OXQOHEQNSA-N 1 0 364.449 2.359 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N[C@H](c2nccn2C)c2ccccc2)CC1 ZINC000519294906 562128782 /nfs/dbraw/zinc/12/87/82/562128782.db2.gz SOZVWEPIYRLOGZ-SFHVURJKSA-N 1 0 353.470 2.459 20 30 FEEDRO C[C@@H](NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)[C@H]1CCC[NH2+]C1 ZINC000519531863 562133748 /nfs/dbraw/zinc/13/37/48/562133748.db2.gz MDMPUZMHDOTPKL-WBVHZDCISA-N 1 0 356.470 2.499 20 30 FEEDRO CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000372715902 557545154 /nfs/dbraw/zinc/54/51/54/557545154.db2.gz KTXIUJCSJVKQQY-OAHLLOKOSA-N 1 0 372.517 2.002 20 30 FEEDRO N#Cc1cccc(CNC(=O)CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000372728951 557548581 /nfs/dbraw/zinc/54/85/81/557548581.db2.gz JZAGAZPNEVRTEM-AZUAARDMSA-N 1 0 352.482 2.123 20 30 FEEDRO Cc1cc(C#N)ccc1C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cnn(C)c1 ZINC000372761805 557557064 /nfs/dbraw/zinc/55/70/64/557557064.db2.gz OTEDYZZPOLBNFN-LPHOPBHVSA-N 1 0 351.454 2.413 20 30 FEEDRO COc1cc(CNC(=O)NCC(C)(C)[NH+]2CCC(OC)CC2)ccc1C#N ZINC000519677624 562139579 /nfs/dbraw/zinc/13/95/79/562139579.db2.gz UFEJKBJIJVTDBJ-UHFFFAOYSA-N 1 0 374.485 2.255 20 30 FEEDRO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1NC(=O)Cc1cccc(OCC#N)c1 ZINC000372863302 557577952 /nfs/dbraw/zinc/57/79/52/557577952.db2.gz MNYJYVXIFRXMDB-LSTHTHJFSA-N 1 0 371.481 2.137 20 30 FEEDRO C#CC[C@@]1(C(=O)N2CCC([NH+](C)C)CC2)CCCN1C(=O)OC(C)(C)C ZINC000372986207 557603715 /nfs/dbraw/zinc/60/37/15/557603715.db2.gz VMLGQLSARSHIQZ-FQEVSTJZSA-N 1 0 363.502 2.332 20 30 FEEDRO C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)cc2F)CC[N@@H+](C2CCC2)C1 ZINC000519797478 562144188 /nfs/dbraw/zinc/14/41/88/562144188.db2.gz AEGSNTZYGUGLJM-ZDUSSCGKSA-N 1 0 351.447 2.192 20 30 FEEDRO CN(CCC#N)C[C@H](O)C[NH2+]CC1(c2ccccc2Cl)CCOCC1 ZINC000519822667 562145482 /nfs/dbraw/zinc/14/54/82/562145482.db2.gz PTRCJLXLVCCCGB-MRXNPFEDSA-N 1 0 365.905 2.184 20 30 FEEDRO C[NH+]1CCC(n2ccc(=NC(=O)CSc3ccc(C#N)cc3)[nH]2)CC1 ZINC000373293877 557667349 /nfs/dbraw/zinc/66/73/49/557667349.db2.gz PNDBIQDSNCBBOC-UHFFFAOYSA-N 1 0 355.467 2.752 20 30 FEEDRO C[C@@H]1[NH2+]CCN(C(=O)NC2CCC(Oc3ncccc3C#N)CC2)[C@H]1C ZINC000520204343 562150503 /nfs/dbraw/zinc/15/05/03/562150503.db2.gz ANVIPQQQQNMIBS-JCAIJIATSA-N 1 0 357.458 2.035 20 30 FEEDRO CCN(Cc1ccccc1)C(=O)[C@@H](C)[NH+]1CCC(n2cnc(C#N)n2)CC1 ZINC000373408184 557688488 /nfs/dbraw/zinc/68/84/88/557688488.db2.gz WYPSSJXLXVHJSC-MRXNPFEDSA-N 1 0 366.469 2.224 20 30 FEEDRO N#Cc1csc(CNc2ccc3[nH]c(CCN4CCOCC4)[nH+]c3c2)n1 ZINC000520292820 562152633 /nfs/dbraw/zinc/15/26/33/562152633.db2.gz JCVITSIBRXCQJE-UHFFFAOYSA-N 1 0 368.466 2.378 20 30 FEEDRO C#CCOc1ccccc1NC(=O)C(=O)N1CCC([N@H+]2CCC[C@H]2C)CC1 ZINC000373474176 557700494 /nfs/dbraw/zinc/70/04/94/557700494.db2.gz WXDKPEHIXUCFFJ-MRXNPFEDSA-N 1 0 369.465 2.112 20 30 FEEDRO CC[C@H](CNC(=O)[C@H]1CCC(=O)N1Cc1cccc(C#N)c1)[NH+]1CCCC1 ZINC000373708606 557742837 /nfs/dbraw/zinc/74/28/37/557742837.db2.gz PYFDRCQKYLUVAX-RTBURBONSA-N 1 0 368.481 2.040 20 30 FEEDRO CC(C)n1nc2c(cc1=O)C[N@@H+](CCC(=O)Nc1ccccc1C#N)CC2 ZINC000374235808 557848346 /nfs/dbraw/zinc/84/83/46/557848346.db2.gz QSJXCFPJTGQLTC-UHFFFAOYSA-N 1 0 365.437 2.083 20 30 FEEDRO CN(C(=O)NCC1CCC(C#N)CC1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000374242457 557849391 /nfs/dbraw/zinc/84/93/91/557849391.db2.gz XEWKRPHECZNGRO-TVPLGVNVSA-N 1 0 361.534 2.126 20 30 FEEDRO COc1cc(C(C)=O)ccc1OCCCC(=O)NC1(C#N)CC[NH+](C)CC1 ZINC000520991204 562167109 /nfs/dbraw/zinc/16/71/09/562167109.db2.gz OTFWVRLNMZQZAV-UHFFFAOYSA-N 1 0 373.453 2.161 20 30 FEEDRO COc1cc(C#N)ccc1OCCN1CCOC[C@@H]1c1c(C)nn(C)c1C ZINC000374497196 557891614 /nfs/dbraw/zinc/89/16/14/557891614.db2.gz PEVWIHVITBBRLL-QGZVFWFLSA-N 1 0 370.453 2.370 20 30 FEEDRO COC(=O)[C@]12CCC[C@@H]1C[N@@H+]([C@H]1CCN(c3sccc3C#N)C1=O)C2 ZINC000374645886 557911429 /nfs/dbraw/zinc/91/14/29/557911429.db2.gz KCKWEICNXAZWBF-GLJUWKHASA-N 1 0 359.451 2.000 20 30 FEEDRO C[C@H](OC[C@@H]1CCCO1)C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000374896891 557947515 /nfs/dbraw/zinc/94/75/15/557947515.db2.gz PBTBTTAVWAAPOE-HKUYNNGSSA-N 1 0 371.481 2.245 20 30 FEEDRO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC[C@@]2(C1)c1ccccc1NC2=O ZINC000375311972 558007547 /nfs/dbraw/zinc/00/75/47/558007547.db2.gz ZGPLNJXCBFTNQD-SPLOXXLWSA-N 1 0 360.417 2.481 20 30 FEEDRO C=CCN(C(=O)[C@@H]1CCc2n[nH]nc2C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000375444864 558028457 /nfs/dbraw/zinc/02/84/57/558028457.db2.gz ZZWVIVIZBYEKLF-MSOLQXFVSA-N 1 0 365.481 2.199 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N(C)[C@@H](C)c2c(F)cccc2F)CC1 ZINC000521416227 562175962 /nfs/dbraw/zinc/17/59/62/562175962.db2.gz KJTMTUUUISBIOY-ZDUSSCGKSA-N 1 0 365.424 2.251 20 30 FEEDRO C#CCOc1ccc([C@H](C)[NH2+][C@@H]2CCC(=O)N[C@H]2c2ccnn2C)cc1 ZINC000375517548 558041508 /nfs/dbraw/zinc/04/15/08/558041508.db2.gz VZHXFZQJLABRHR-JNAXZKDPSA-N 1 0 352.438 2.103 20 30 FEEDRO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H](c3nc(-c4ccccc4)n[nH]3)C2)C1=O ZINC000375605874 558056024 /nfs/dbraw/zinc/05/60/24/558056024.db2.gz FVWWXOZXZNEYPZ-IAGOWNOFSA-N 1 0 351.454 2.438 20 30 FEEDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1S(=O)(=O)c1cccc(Cl)c1C#N ZINC000375635169 558060354 /nfs/dbraw/zinc/06/03/54/558060354.db2.gz AIISUQIHWXATFM-OLZOCXBDSA-N 1 0 353.875 2.459 20 30 FEEDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000375691576 558068259 /nfs/dbraw/zinc/06/82/59/558068259.db2.gz XFBYDUYSIFWKJW-JSGCOSHPSA-N 1 0 353.875 2.459 20 30 FEEDRO N#Cc1ccc(N2CCC(C(=O)N3CC[NH+]4CCC3CC4)CC2)c(F)c1 ZINC000376088478 558125125 /nfs/dbraw/zinc/12/51/25/558125125.db2.gz ZDHVEOGTOUXLQE-UHFFFAOYSA-N 1 0 356.445 2.220 20 30 FEEDRO C[NH+](C)CC1CCN(C(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)CC1 ZINC000376106995 558127939 /nfs/dbraw/zinc/12/79/39/558127939.db2.gz OFHZXPHRIZDWCT-QGZVFWFLSA-N 1 0 358.461 2.324 20 30 FEEDRO C[C@@H]1CN(C(=O)c2cc(C#N)ccc2Cl)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000376107510 558127999 /nfs/dbraw/zinc/12/79/99/558127999.db2.gz UKRXJLFUSLSOPF-KDOFPFPSSA-N 1 0 360.889 2.310 20 30 FEEDRO CC[NH+](CC)CCO[C@@H]1CCN([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000376783801 558221127 /nfs/dbraw/zinc/22/11/27/558221127.db2.gz ZKJHYPJKTRAGNU-WOJBJXKFSA-N 1 0 370.497 2.096 20 30 FEEDRO COCCOc1ccc(C#N)cc1NC(=O)N1CC[C@H]2CC[N@H+](C)[C@@H]2C1 ZINC000376837119 558227863 /nfs/dbraw/zinc/22/78/63/558227863.db2.gz ROAWPSMZMPSBLF-NVXWUHKLSA-N 1 0 358.442 2.141 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N2C[C@@H](CC)O[C@]3(CCOC3)C2)CC1 ZINC000377075203 558260631 /nfs/dbraw/zinc/26/06/31/558260631.db2.gz XRONSJPFMRRLDU-IEBWSBKVSA-N 1 0 351.491 2.006 20 30 FEEDRO CN(CCC#N)C[C@H](O)C[NH2+][C@@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000521995355 562188445 /nfs/dbraw/zinc/18/84/45/562188445.db2.gz DUEHCIICLAVISC-WOJBJXKFSA-N 1 0 358.530 2.083 20 30 FEEDRO CC(C)(C#N)c1ccc(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000377427112 558338355 /nfs/dbraw/zinc/33/83/55/558338355.db2.gz QAVKJJCVALIPOL-DLBZAZTESA-N 1 0 354.454 2.169 20 30 FEEDRO C=CCN(C(=O)c1ccn(C)c(=O)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000377571708 558368168 /nfs/dbraw/zinc/36/81/68/558368168.db2.gz DOMDFIIOAQYIID-LJQANCHMSA-N 1 0 351.450 2.288 20 30 FEEDRO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCC[C@@H](c3nnc[nH]3)C1)CCC2 ZINC000378001388 558460504 /nfs/dbraw/zinc/46/05/04/558460504.db2.gz RHTVHMACGLZRPU-GFCCVEGCSA-N 1 0 370.482 2.435 20 30 FEEDRO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000378299968 558523647 /nfs/dbraw/zinc/52/36/47/558523647.db2.gz UFBZZSMHISXWCY-PMACEKPBSA-N 1 0 371.481 2.251 20 30 FEEDRO C[C@H]1CN(C(=O)Nc2ccc(F)c(C#N)c2)CCN1C1CC[NH+](C)CC1 ZINC000378365523 558540171 /nfs/dbraw/zinc/54/01/71/558540171.db2.gz KRDYTSWYHPROHW-AWEZNQCLSA-N 1 0 359.449 2.330 20 30 FEEDRO CCN1CC[NH+](C[C@@H](C)CNC(=O)[C@]2(C#N)CCc3ccccc3C2)CC1 ZINC000378463437 558563167 /nfs/dbraw/zinc/56/31/67/558563167.db2.gz QLTOTZZCIKUZED-PGRDOPGGSA-N 1 0 368.525 2.075 20 30 FEEDRO Cn1cc(C[NH2+][C@@H]2CCO[C@]3(CCOC3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000378486738 558567663 /nfs/dbraw/zinc/56/76/63/558567663.db2.gz WMJGPTAWZFAQLR-UYAOXDASSA-N 1 0 352.438 2.386 20 30 FEEDRO N#Cc1ccc(CNC(=O)C[N@@H+]2CC[C@H](n3cc4ccccc4n3)C2)cc1 ZINC000378568691 558585539 /nfs/dbraw/zinc/58/55/39/558585539.db2.gz OVKSZVDAPBJHPI-IBGZPJMESA-N 1 0 359.433 2.471 20 30 FEEDRO N#CC1(NC(=O)/C=C/c2cncc(O)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000378596686 558591005 /nfs/dbraw/zinc/59/10/05/558591005.db2.gz JVUQVTALSVXNLS-VOTSOKGWSA-N 1 0 362.433 2.475 20 30 FEEDRO CN(C(=O)C[N@@H+]1CCC[C@@H](C(=O)N2CCCC2)C1)C1(C#N)CCCCC1 ZINC000408129715 558649633 /nfs/dbraw/zinc/64/96/33/558649633.db2.gz BDHRVTSVOYOUJN-QGZVFWFLSA-N 1 0 360.502 2.006 20 30 FEEDRO Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N3CCC[C@H]([NH+](C)C)CC3)C2)n1 ZINC000408277757 558663531 /nfs/dbraw/zinc/66/35/31/558663531.db2.gz RDZWMMVBNCJRMN-OALUTQOASA-N 1 0 369.513 2.421 20 30 FEEDRO Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)n1 ZINC000408288364 558664237 /nfs/dbraw/zinc/66/42/37/558664237.db2.gz XKIJDSMFHFQQST-SZMVWBNQSA-N 1 0 355.486 2.077 20 30 FEEDRO CCN(C[C@H](C)C#N)S(=O)(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000409507495 558698814 /nfs/dbraw/zinc/69/88/14/558698814.db2.gz ODOOSJAMNLPEIH-QGZVFWFLSA-N 1 0 370.563 2.301 20 30 FEEDRO CCN(CCC#N)S(=O)(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000409575359 558704605 /nfs/dbraw/zinc/70/46/05/558704605.db2.gz QSFIQLJGKOADCU-UHFFFAOYSA-N 1 0 364.515 2.029 20 30 FEEDRO CCN(CCC#N)S(=O)(=O)N(CC[NH+](CC)CC)Cc1ccccc1 ZINC000409581053 558705080 /nfs/dbraw/zinc/70/50/80/558705080.db2.gz JHPWWMIRTUBORX-UHFFFAOYSA-N 1 0 366.531 2.311 20 30 FEEDRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)[C@H](C)n1cnc(C#N)n1 ZINC000409816949 558721386 /nfs/dbraw/zinc/72/13/86/558721386.db2.gz OQGKJCQJLALQKL-AWEZNQCLSA-N 1 0 360.487 2.143 20 30 FEEDRO CCN(C[C@@H](C)C#N)S(=O)(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000410137715 558741517 /nfs/dbraw/zinc/74/15/17/558741517.db2.gz NYWWQJJXGIXGIJ-HOTGVXAUSA-N 1 0 366.531 2.432 20 30 FEEDRO CCN(C[C@@H](C)C#N)S(=O)(=O)N(C)C(C)(C)C[NH+]1CCCCCC1 ZINC000410418109 558756252 /nfs/dbraw/zinc/75/62/52/558756252.db2.gz BSNANQABRIMXBK-INIZCTEOSA-N 1 0 358.552 2.299 20 30 FEEDRO N#Cc1ccc(OCCNC(=O)[C@@H]2CCC[N@H+](Cc3cccnc3)C2)cc1 ZINC000525262199 562244301 /nfs/dbraw/zinc/24/43/01/562244301.db2.gz YSHZGQNUCCYLOM-LJQANCHMSA-N 1 0 364.449 2.360 20 30 FEEDRO C=CC[N@@H+](C)CCN(CC)Cc1nc(N)nc(Nc2ccc(F)cc2)n1 ZINC000411642291 558934753 /nfs/dbraw/zinc/93/47/53/558934753.db2.gz MQJVCJSMNVBNBW-UHFFFAOYSA-N 1 0 359.453 2.276 20 30 FEEDRO C=CC[N@@H+](C)CCN(CC)CC(=O)N1c2ccccc2NC(=O)C1(C)C ZINC000411644271 558934811 /nfs/dbraw/zinc/93/48/11/558934811.db2.gz QXOWCWCWZOUOSP-UHFFFAOYSA-N 1 0 358.486 2.190 20 30 FEEDRO CN(CC[NH+]1CCCC1)C(=O)NC1CCC(Oc2ncccc2C#N)CC1 ZINC000525861888 562257702 /nfs/dbraw/zinc/25/77/02/562257702.db2.gz FOTRUJGNONJIEJ-UHFFFAOYSA-N 1 0 371.485 2.380 20 30 FEEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CC[C@H](C(=O)N(C)C)C2)c1 ZINC000411954843 558994274 /nfs/dbraw/zinc/99/42/74/558994274.db2.gz PUDHAKBAAOASFL-ROUUACIJSA-N 1 0 370.497 2.349 20 30 FEEDRO N#Cc1cccc(NC(=O)CC[N@H+]2CC[C@@](C(N)=O)(c3ccccc3)C2)c1 ZINC000411967359 558996901 /nfs/dbraw/zinc/99/69/01/558996901.db2.gz MUNLVCQCKBMTAI-NRFANRHFSA-N 1 0 362.433 2.016 20 30 FEEDRO CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@H](c1ccccc1)C1(CO)CCOCC1 ZINC000412010488 559002046 /nfs/dbraw/zinc/00/20/46/559002046.db2.gz QRBBGCVHLBHYEY-UXHICEINSA-N 1 0 373.497 2.161 20 30 FEEDRO COC(=O)[C@@H]1CC[C@H](C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)C1 ZINC000413273865 559094345 /nfs/dbraw/zinc/09/43/45/559094345.db2.gz ZDIBUXGKGKECNB-ZWKOTPCHSA-N 1 0 357.454 2.038 20 30 FEEDRO C[C@H](CC(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1)c1cnn(C)c1 ZINC000413274682 559094714 /nfs/dbraw/zinc/09/47/14/559094714.db2.gz ZUDWRBCLBYXHRR-MRXNPFEDSA-N 1 0 353.470 2.376 20 30 FEEDRO Cc1cc(NCC(=O)NCC[NH+]2CCCCCC2)c(C#N)cc1[N+](=O)[O-] ZINC000413294547 559096326 /nfs/dbraw/zinc/09/63/26/559096326.db2.gz BIYWXIJFXWNSHE-UHFFFAOYSA-N 1 0 359.430 2.179 20 30 FEEDRO C[C@@H](C(=O)NC1CCC(Oc2ncccc2C#N)CC1)N1CCSCC1 ZINC000526122005 562267470 /nfs/dbraw/zinc/26/74/70/562267470.db2.gz SXYQJWRUWJJAGF-OOHWJJMZSA-N 1 0 374.510 2.197 20 30 FEEDRO C[C@@H]([NH2+]CC(C)(C)CC#N)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000414163475 559151302 /nfs/dbraw/zinc/15/13/02/559151302.db2.gz ITGMHODVKGJBNZ-OAHLLOKOSA-N 1 0 365.499 2.298 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc3c(c2)CCCN3)CC1 ZINC000414817675 559189432 /nfs/dbraw/zinc/18/94/32/559189432.db2.gz STDVLOZVWSVHHC-UHFFFAOYSA-N 1 0 356.470 2.140 20 30 FEEDRO CCC(CC)CN(CCC#N)C(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000415140277 559208087 /nfs/dbraw/zinc/20/80/87/559208087.db2.gz YKDMPHNLOJAJKT-UHFFFAOYSA-N 1 0 372.469 2.286 20 30 FEEDRO CC[NH2+]Cc1cccc(NC(=O)C(=O)NC2(c3cccc(C#N)c3)CC2)c1 ZINC000415174191 559211912 /nfs/dbraw/zinc/21/19/12/559211912.db2.gz AGZBZHKOHOWHGI-UHFFFAOYSA-N 1 0 362.433 2.412 20 30 FEEDRO CC(C)Oc1ccc(NC(=O)C(=O)NCC2([NH3+])CCCCC2)cc1C#N ZINC000415285939 559221103 /nfs/dbraw/zinc/22/11/03/559221103.db2.gz ZPVQMPYWQYHZJP-UHFFFAOYSA-N 1 0 358.442 2.062 20 30 FEEDRO COc1cc([C@H](C#N)NC(=O)C23CCC[NH+]2CCC3)cc(OC)c1OC ZINC000415374513 559228629 /nfs/dbraw/zinc/22/86/29/559228629.db2.gz IZMHNSXLCOYQRJ-AWEZNQCLSA-N 1 0 359.426 2.022 20 30 FEEDRO CCCN(C(=O)C(=O)Nc1sc(C(C)(C)C)cc1C#N)[C@@H]1CC[NH2+]C1 ZINC000415387230 559229992 /nfs/dbraw/zinc/22/99/92/559229992.db2.gz GSDIHKGZUWTUPC-CYBMUJFWSA-N 1 0 362.499 2.456 20 30 FEEDRO C[C@H]1CN(C(=O)C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)CC[NH2+]1 ZINC000415425822 559234817 /nfs/dbraw/zinc/23/48/17/559234817.db2.gz CVLVNMISXJNPPT-AWEZNQCLSA-N 1 0 364.405 2.109 20 30 FEEDRO C[C@H]1CN(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)CC[C@H]1[NH3+] ZINC000415448422 559238261 /nfs/dbraw/zinc/23/82/61/559238261.db2.gz IDHGQLARTDLWAL-SMDDNHRTSA-N 1 0 358.833 2.598 20 30 FEEDRO C[C@@H]([NH3+])C1CCN(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)CC1 ZINC000415470980 559240885 /nfs/dbraw/zinc/24/08/85/559240885.db2.gz ZNUKCSIEFMKPCV-GFCCVEGCSA-N 1 0 372.860 2.988 20 30 FEEDRO N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)N[C@H]2CCC[C@H]([NH3+])C2)n1 ZINC000415471172 559240947 /nfs/dbraw/zinc/24/09/47/559240947.db2.gz ZYIWMFREMZYNGT-KBPBESRZSA-N 1 0 358.833 2.789 20 30 FEEDRO CN(CC(C)(C)C[NH3+])C(=O)C(=O)Nc1sc(C(C)(C)C)cc1C#N ZINC000415482531 559242007 /nfs/dbraw/zinc/24/20/07/559242007.db2.gz KRJFGHKPUVINBM-UHFFFAOYSA-N 1 0 350.488 2.299 20 30 FEEDRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)Nc1nc(-c2cccc(C#N)c2)cs1 ZINC000415505110 559244567 /nfs/dbraw/zinc/24/45/67/559244567.db2.gz XDATYVZBLHKHOM-AWEZNQCLSA-N 1 0 371.466 2.254 20 30 FEEDRO N#Cc1cccnc1-n1cc(NC(=O)N[C@@H](C[NH3+])C2CCCCC2)cn1 ZINC000415504223 559244690 /nfs/dbraw/zinc/24/46/90/559244690.db2.gz XFJUVKLGFRSOFQ-INIZCTEOSA-N 1 0 353.430 2.168 20 30 FEEDRO N#Cc1cc(NC(=O)C(=O)NC[C@@H]([NH3+])C2CC2)ccc1Oc1ccccc1 ZINC000415534787 559247361 /nfs/dbraw/zinc/24/73/61/559247361.db2.gz BYHXXCOXXQOUGC-QGZVFWFLSA-N 1 0 364.405 2.143 20 30 FEEDRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)Nc1ccccc1C#Cc1ccccc1 ZINC000415541267 559247816 /nfs/dbraw/zinc/24/78/16/559247816.db2.gz NIBFJIVQLGLZDQ-WMZOPIPTSA-N 1 0 361.445 2.221 20 30 FEEDRO CCC(CC)(C[NH3+])NC(=O)Nc1ccc(S(=O)(=O)[C@H](C)C#N)cc1 ZINC000415591732 559253614 /nfs/dbraw/zinc/25/36/14/559253614.db2.gz AZSOYSUCRMRQBV-GFCCVEGCSA-N 1 0 352.460 2.011 20 30 FEEDRO C[C@@H](C[NH3+])NC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N ZINC000415638078 559257323 /nfs/dbraw/zinc/25/73/23/559257323.db2.gz CPTAVDLCTKZDNR-VIFPVBQESA-N 1 0 374.388 2.113 20 30 FEEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000415647797 559257881 /nfs/dbraw/zinc/25/78/81/559257881.db2.gz OFRJOBQOBDXDHL-MGPQQGTHSA-N 1 0 360.483 2.405 20 30 FEEDRO CC[NH2+][C@H](C)CNC(=O)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000415664072 559259477 /nfs/dbraw/zinc/25/94/77/559259477.db2.gz ZTYGCADTUPAVNL-CQSZACIVSA-N 1 0 366.421 2.403 20 30 FEEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000415751293 559267736 /nfs/dbraw/zinc/26/77/36/559267736.db2.gz VYXKOUQJDIZLSJ-ILXRZTDVSA-N 1 0 372.494 2.087 20 30 FEEDRO CC(C)(C)c1cc(C#N)c(NC(=O)C(=O)NC(C)(C)CCC[NH3+])s1 ZINC000415757060 559268137 /nfs/dbraw/zinc/26/81/37/559268137.db2.gz IRAODDRJXZHLNM-UHFFFAOYSA-N 1 0 350.488 2.489 20 30 FEEDRO Cc1cc(C#N)cc(NC(=O)C(=O)N[C@@H](CCC[NH3+])c2ccccc2)c1 ZINC000415826751 559275780 /nfs/dbraw/zinc/27/57/80/559275780.db2.gz DFSKXTMQKMTAMU-SFHVURJKSA-N 1 0 350.422 2.402 20 30 FEEDRO Cc1cc(C#N)cc(NC(=O)C(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)c1 ZINC000415859638 559279253 /nfs/dbraw/zinc/27/92/53/559279253.db2.gz MUGPHHBMGGYVOI-UHFFFAOYSA-N 1 0 366.465 2.075 20 30 FEEDRO N#Cc1ccccc1CSCCNC(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000415996246 559287989 /nfs/dbraw/zinc/28/79/89/559287989.db2.gz OUTDVIWODXXBIL-CYBMUJFWSA-N 1 0 360.405 2.370 20 30 FEEDRO C[C@@H](C#N)S(=O)(=O)N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000416399233 559310157 /nfs/dbraw/zinc/31/01/57/559310157.db2.gz OGHFTFDQAYFGBS-FZMZJTMJSA-N 1 0 361.389 2.111 20 30 FEEDRO COc1cc(C#N)ccc1S(=O)(=O)N(C)C(C)(C)C[NH+]1CCCC1 ZINC000416660353 559328220 /nfs/dbraw/zinc/32/82/20/559328220.db2.gz JXDMBVPGCCSWRT-UHFFFAOYSA-N 1 0 351.472 2.062 20 30 FEEDRO CC(C)Oc1ccc(NC(=O)N2C[C@@H](C)[N@H+](CCO)C[C@@H]2C)cc1C#N ZINC000416931499 559338994 /nfs/dbraw/zinc/33/89/94/559338994.db2.gz LQNYWBBAMJWZRY-CABCVRRESA-N 1 0 360.458 2.264 20 30 FEEDRO N#Cc1ccc(N2CCC[C@H](NC(=O)NC[C@@H]3CCC[C@@H]([NH3+])C3)C2)c(F)c1 ZINC000417573889 559367339 /nfs/dbraw/zinc/36/73/39/559367339.db2.gz HZPWREJMTFJCRY-ZACQAIPSSA-N 1 0 373.476 2.483 20 30 FEEDRO C[C@@]1(CNC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)CCC[NH2+]C1 ZINC000417578701 559367409 /nfs/dbraw/zinc/36/74/09/559367409.db2.gz NZOOQSCCUAVVKI-OXQOHEQNSA-N 1 0 373.476 2.355 20 30 FEEDRO C[C@@]1(CNC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)CCC[NH2+]C1 ZINC000417578700 559367459 /nfs/dbraw/zinc/36/74/59/559367459.db2.gz NZOOQSCCUAVVKI-OXJNMPFZSA-N 1 0 373.476 2.355 20 30 FEEDRO CC1(C)CN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)CC[NH2+]1 ZINC000417578943 559367476 /nfs/dbraw/zinc/36/74/76/559367476.db2.gz OLQXQHXCYCNXBT-OAHLLOKOSA-N 1 0 359.449 2.060 20 30 FEEDRO CN(CC(C)(C)C[NH3+])C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000417580424 559367549 /nfs/dbraw/zinc/36/75/49/559367549.db2.gz QZVCJAXJJCFXJI-OAHLLOKOSA-N 1 0 361.465 2.292 20 30 FEEDRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000417581076 559367778 /nfs/dbraw/zinc/36/77/78/559367778.db2.gz SBWKQZJTMDUXST-LXZKKBNFSA-N 1 0 359.449 2.106 20 30 FEEDRO C=C(C)[C@@H](NC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1)c1ccc(F)c(F)c1 ZINC000418030379 559387236 /nfs/dbraw/zinc/38/72/36/559387236.db2.gz MLNVQFJWUOCQAT-CRAIPNDOSA-N 1 0 364.440 2.271 20 30 FEEDRO N#Cc1cccc(NC(=O)C2CCN(C(=O)NCCC[NH2+]C3CC3)CC2)c1 ZINC000418293463 559396654 /nfs/dbraw/zinc/39/66/54/559396654.db2.gz AVQHGKRCTLRUNA-UHFFFAOYSA-N 1 0 369.469 2.060 20 30 FEEDRO N#Cc1ccc(OC2CCN(C(=O)NCCC[NH2+]C3CC3)CC2)c(F)c1 ZINC000418303920 559396982 /nfs/dbraw/zinc/39/69/82/559396982.db2.gz UGMBXGBIDZIECD-UHFFFAOYSA-N 1 0 360.433 2.392 20 30 FEEDRO N#C[C@H]1CN(C(=O)NC[C@@H]([NH3+])c2ccccc2)CCN1Cc1ccccc1 ZINC000418456544 559402373 /nfs/dbraw/zinc/40/23/73/559402373.db2.gz TVKXRVFIWRKAJC-VQTJNVASSA-N 1 0 363.465 2.106 20 30 FEEDRO N#Cc1ccc(N2CCN(C(=O)NC[C@H]([NH3+])c3ccccc3)CC2)c(F)c1 ZINC000418456793 559402406 /nfs/dbraw/zinc/40/24/06/559402406.db2.gz UIEZQLFMJSRPLP-SFHVURJKSA-N 1 0 367.428 2.229 20 30 FEEDRO N#Cc1ccc(N2CCN(C(=O)N[C@H]3CC[C@H](C[NH3+])C3)CC2)c(Cl)c1 ZINC000418794320 559416449 /nfs/dbraw/zinc/41/64/49/559416449.db2.gz RGVYHZZTQMUNIF-ZFWWWQNUSA-N 1 0 361.877 2.171 20 30 FEEDRO CC(C)c1ccc([C@@H]([NH3+])CNC(=O)C(=O)NCC#Cc2ccccc2)cc1 ZINC000419116832 559429090 /nfs/dbraw/zinc/42/90/90/559429090.db2.gz PFJLCQCTECZKMU-FQEVSTJZSA-N 1 0 363.461 2.094 20 30 FEEDRO C[C@H](CC[NH3+])NC(=O)C(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000419203955 559432531 /nfs/dbraw/zinc/43/25/31/559432531.db2.gz HKSBUDNOXXNBGY-CABCVRRESA-N 1 0 364.449 2.256 20 30 FEEDRO C=CCC[C@@H](NC(=O)C(=O)N(C)CC[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000419470103 559444089 /nfs/dbraw/zinc/44/40/89/559444089.db2.gz DYWYCSMDIKYMJO-CQSZACIVSA-N 1 0 357.376 2.246 20 30 FEEDRO CC(C)N(Cc1ccc(C#N)cc1)C(=O)C(=O)NCC1([NH3+])CCCCC1 ZINC000419809861 559460409 /nfs/dbraw/zinc/46/04/09/559460409.db2.gz WSRKCRIKEWKJIT-UHFFFAOYSA-N 1 0 356.470 2.073 20 30 FEEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000419950624 559465996 /nfs/dbraw/zinc/46/59/96/559465996.db2.gz MPBHTHJZTYIHMN-LBPRGKRZSA-N 1 0 355.891 2.174 20 30 FEEDRO N#Cc1ccc(CN(C(=O)C(=O)N[C@@H](C[NH3+])C2CCCCC2)C2CC2)cc1 ZINC000419962861 559466572 /nfs/dbraw/zinc/46/65/72/559466572.db2.gz HCKNNQOALGRTFT-IBGZPJMESA-N 1 0 368.481 2.073 20 30 FEEDRO C=CCC[C@H]1NC(=O)N(Cc2ccccc2C[NH+]2CCC(O)CC2)C1=O ZINC000419984520 559467645 /nfs/dbraw/zinc/46/76/45/559467645.db2.gz VRMSRKYSPLBGBL-GOSISDBHSA-N 1 0 357.454 2.030 20 30 FEEDRO C[NH+](C)CC[C@](C)(O)CNC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000420011278 559468785 /nfs/dbraw/zinc/46/87/85/559468785.db2.gz HUFUPHCLCVIGRN-FQEVSTJZSA-N 1 0 368.437 2.178 20 30 FEEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000420199447 559476343 /nfs/dbraw/zinc/47/63/43/559476343.db2.gz MHTPFKGUWWYWDL-NEPJUHHUSA-N 1 0 355.891 2.160 20 30 FEEDRO C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000420796480 559504935 /nfs/dbraw/zinc/50/49/35/559504935.db2.gz MVOWKNDKJDBBNF-IBGZPJMESA-N 1 0 357.498 2.279 20 30 FEEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)NCCCC3(O)CCC3)CC2)cc1 ZINC000420874254 559508697 /nfs/dbraw/zinc/50/86/97/559508697.db2.gz IWOACNLSDJQFAU-UHFFFAOYSA-N 1 0 370.497 2.471 20 30 FEEDRO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CCC[C@@H](CC(F)(F)F)C2)CC1 ZINC000420943272 559513249 /nfs/dbraw/zinc/51/32/49/559513249.db2.gz ICZXIHTUPAUKNQ-JKSUJKDBSA-N 1 0 374.451 2.343 20 30 FEEDRO COC1([C@H](C)[NH2+]CC(=O)Nc2cc(Cl)ccc2C#N)CCOCC1 ZINC000421030904 559520708 /nfs/dbraw/zinc/52/07/08/559520708.db2.gz JWUUHJDNVGDKFJ-LBPRGKRZSA-N 1 0 351.834 2.324 20 30 FEEDRO COC(=O)Cc1ccc(NC(=O)N(CCC#N)CCC[NH+](C)C)cc1F ZINC000421134525 559525855 /nfs/dbraw/zinc/52/58/55/559525855.db2.gz WTTXSYWYMTYSQK-UHFFFAOYSA-N 1 0 364.421 2.240 20 30 FEEDRO N#Cc1ccc(C[NH2+][C@@H]2CC(=O)N(CCOc3ccccc3)C2)cc1F ZINC000421367237 559540328 /nfs/dbraw/zinc/54/03/28/559540328.db2.gz SKBRKNHEVARWQE-QGZVFWFLSA-N 1 0 353.397 2.467 20 30 FEEDRO C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000422071209 559563714 /nfs/dbraw/zinc/56/37/14/559563714.db2.gz MGVISYPJBIYUDN-GUDVDZBRSA-N 1 0 355.482 2.033 20 30 FEEDRO Cc1ccc([C@H](CNC(=O)C(=O)NCC(C)(C)CC#N)[NH+]2CCCC2)cc1 ZINC000422269202 559574557 /nfs/dbraw/zinc/57/45/57/559574557.db2.gz LMSYKINQAVHLIC-SFHVURJKSA-N 1 0 370.497 2.304 20 30 FEEDRO C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000422409987 559586179 /nfs/dbraw/zinc/58/61/79/559586179.db2.gz FQYCLGLBEIZLOK-JQHSSLGASA-N 1 0 355.482 2.031 20 30 FEEDRO C[C@@H]([NH2+][C@H](C)c1cccc(N2CCCC2=O)c1)C(=O)NC1(C#N)CCC1 ZINC000527299035 562284413 /nfs/dbraw/zinc/28/44/13/562284413.db2.gz ZYHPMEJMZLNZJZ-HUUCEWRRSA-N 1 0 354.454 2.415 20 30 FEEDRO C=CCN(CC1CCCCC1)C(=O)C(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000423307228 559625041 /nfs/dbraw/zinc/62/50/41/559625041.db2.gz GGNGHVDWXVFVFG-RBUKOAKNSA-N 1 0 361.530 2.429 20 30 FEEDRO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000424019275 559651281 /nfs/dbraw/zinc/65/12/81/559651281.db2.gz JUVZPLBYESRIKA-CYBMUJFWSA-N 1 0 358.360 2.460 20 30 FEEDRO CN(CCOc1ccc(Br)cc1)C(=O)[C@@H]([NH3+])CCCC#N ZINC000424073017 559653699 /nfs/dbraw/zinc/65/36/99/559653699.db2.gz DUKZPRUDAAMWFB-AWEZNQCLSA-N 1 0 354.248 2.307 20 30 FEEDRO N#CCCC[C@@H]([NH3+])C(=O)N1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000424100084 559654732 /nfs/dbraw/zinc/65/47/32/559654732.db2.gz HDIKLGQAADKADO-MRXNPFEDSA-N 1 0 362.861 2.036 20 30 FEEDRO Cc1ccc(C(=O)N2CCSCC2)cc1NC(=O)[C@@H]([NH3+])CCCC#N ZINC000424115752 559655289 /nfs/dbraw/zinc/65/52/89/559655289.db2.gz VTRSQCHFLYSNKH-HNNXBMFYSA-N 1 0 360.483 2.144 20 30 FEEDRO COC(=O)COc1ccc(NC(=O)[C@@H]([NH3+])CCCC#N)c2ccccc12 ZINC000424128657 559655652 /nfs/dbraw/zinc/65/56/52/559655652.db2.gz RRCIVLIAZMGJLE-HNNXBMFYSA-N 1 0 355.394 2.351 20 30 FEEDRO N#CCCC[C@@H]([NH3+])C(=O)Nc1cccc(-c2ccc3c(c2)OCCO3)n1 ZINC000424143944 559656043 /nfs/dbraw/zinc/65/60/43/559656043.db2.gz KHJBQZYYBMDRCE-CQSZACIVSA-N 1 0 352.394 2.479 20 30 FEEDRO C=CCn1c([C@@H]2CCCCO2)nnc1N1CC[NH+](C(C)(C)COC)CC1 ZINC000424143761 559656061 /nfs/dbraw/zinc/65/60/61/559656061.db2.gz RKBFZUXFZHRLCX-INIZCTEOSA-N 1 0 363.506 2.253 20 30 FEEDRO C[C@H](CC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)n1cccn1 ZINC000424566434 559669527 /nfs/dbraw/zinc/66/95/27/559669527.db2.gz PWIUZNQPFFIQCU-QGZVFWFLSA-N 1 0 351.454 2.440 20 30 FEEDRO C=CCC1(C(=O)N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)CCOCC1 ZINC000424635149 559671769 /nfs/dbraw/zinc/67/17/69/559671769.db2.gz ZFKQGNQVBOXEMU-KDURUIRLSA-N 1 0 363.546 2.376 20 30 FEEDRO C=CCC1(C(=O)N2CCC(OCC[NH+]3CCCC3)CC2)CCOCC1 ZINC000424712069 559674403 /nfs/dbraw/zinc/67/44/03/559674403.db2.gz RSZRJUHGQPVPLC-UHFFFAOYSA-N 1 0 350.503 2.463 20 30 FEEDRO C=CCc1ccccc1OC[C@@H](O)C[NH2+][C@@H]1CCO[C@H]1c1cnn(C)c1 ZINC000424738437 559675212 /nfs/dbraw/zinc/67/52/12/559675212.db2.gz YWLVWHPJZGPIGF-NSHGMRRFSA-N 1 0 357.454 2.008 20 30 FEEDRO C=CCn1cc(CNC(=O)[C@@]23CCC[C@@H]2C[N@H+](Cc2ccccc2)C3)nn1 ZINC000424908238 559679776 /nfs/dbraw/zinc/67/97/76/559679776.db2.gz NNZJLEZCFQGXQA-WIYYLYMNSA-N 1 0 365.481 2.383 20 30 FEEDRO C[N@@H+]1C[C@@H]2CCCN(S(=O)(=O)c3ccc(CC#N)cc3Cl)[C@@H]2C1 ZINC000425204971 559691025 /nfs/dbraw/zinc/69/10/25/559691025.db2.gz AVVIKNOJQDIXAG-DZGCQCFKSA-N 1 0 353.875 2.121 20 30 FEEDRO COc1ccc(C(=O)N2CCN(c3cc(C)ncc3C#N)CC2)c(OC)c1 ZINC000425218072 559691736 /nfs/dbraw/zinc/69/17/36/559691736.db2.gz XBAYRPGKSKQIKQ-UHFFFAOYSA-N 1 0 366.421 2.241 20 30 FEEDRO C[C@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000425383940 559699295 /nfs/dbraw/zinc/69/92/95/559699295.db2.gz LFQJVOHASHTWKE-SJLPKXTDSA-N 1 0 368.481 2.022 20 30 FEEDRO C[C@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000425386773 559699389 /nfs/dbraw/zinc/69/93/89/559699389.db2.gz PUJKHXLCJSMHAI-VQIMIIECSA-N 1 0 370.497 2.410 20 30 FEEDRO C[C@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000425389021 559699718 /nfs/dbraw/zinc/69/97/18/559699718.db2.gz TUJVVXUJLVGEBF-IERDGZPVSA-N 1 0 368.481 2.022 20 30 FEEDRO C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N(C)[C@H](C)c1cccc(C#N)c1 ZINC000425874534 559723684 /nfs/dbraw/zinc/72/36/84/559723684.db2.gz RMLOTUPANMVMNN-HZPDHXFCSA-N 1 0 356.470 2.068 20 30 FEEDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N(C)[C@@H](C)c1cccc(C#N)c1 ZINC000425889713 559724176 /nfs/dbraw/zinc/72/41/76/559724176.db2.gz VHYYWUAXRSXDKM-YJBOKZPZSA-N 1 0 356.470 2.068 20 30 FEEDRO C[NH+](C)CCOc1ccc(CCNC(=O)CNc2cccc(C#N)c2)cc1 ZINC000426449370 559734656 /nfs/dbraw/zinc/73/46/56/559734656.db2.gz HOEDHVUGJJPHAG-UHFFFAOYSA-N 1 0 366.465 2.269 20 30 FEEDRO COC(=O)C[C@](C)([NH2+]CCC(=O)Nc1ccc(C#N)cc1)c1ccccn1 ZINC000429677588 559803868 /nfs/dbraw/zinc/80/38/68/559803868.db2.gz YBRJWGUOPVGKBQ-FQEVSTJZSA-N 1 0 366.421 2.350 20 30 FEEDRO N#Cc1ccc(C(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000429865937 559807438 /nfs/dbraw/zinc/80/74/38/559807438.db2.gz LQYGHZFXRIQBND-UHFFFAOYSA-N 1 0 352.438 2.089 20 30 FEEDRO COc1cc(C#N)ccc1OCC[NH2+][C@H]1CCO[C@@H]1c1cnn(C)c1C ZINC000431965796 559849586 /nfs/dbraw/zinc/84/95/86/559849586.db2.gz MESKGWOARNJKIG-QFBILLFUSA-N 1 0 356.426 2.107 20 30 FEEDRO CC[NH+](CC)[C@H](C)CNS(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000432865467 559866652 /nfs/dbraw/zinc/86/66/52/559866652.db2.gz IOYBUEZFYQLJJW-LLVKDONJSA-N 1 0 374.304 2.329 20 30 FEEDRO CCOC(=O)CC1([NH2+]CCS(=O)(=O)c2cccc(C#N)c2)CCCC1 ZINC000434616867 559903679 /nfs/dbraw/zinc/90/36/79/559903679.db2.gz RTXCKVOUXNLHDU-UHFFFAOYSA-N 1 0 364.467 2.188 20 30 FEEDRO CCOCC[C@H](O)C[NH+]1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000434634723 559904244 /nfs/dbraw/zinc/90/42/44/559904244.db2.gz TVKWCISFMJFBGN-KRWDZBQOSA-N 1 0 354.454 2.016 20 30 FEEDRO C[C@@H](CNC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C)[N@@H+]1CCCC[C@H]1C ZINC000434729777 559907850 /nfs/dbraw/zinc/90/78/50/559907850.db2.gz ZEPKTUYUEXOHGI-CABCVRRESA-N 1 0 373.501 2.432 20 30 FEEDRO COC(=O)[C@H]1CC[C@@H]([NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000435283619 559919317 /nfs/dbraw/zinc/91/93/17/559919317.db2.gz ZSBQLJOTQWVCCK-DOTOQJQBSA-N 1 0 353.426 2.290 20 30 FEEDRO C[NH+](C)CCN(Cc1cccs1)S(=O)(=O)c1ccc(C#N)s1 ZINC000435448623 559923526 /nfs/dbraw/zinc/92/35/26/559923526.db2.gz YNGZTILEZTXUOL-UHFFFAOYSA-N 1 0 355.510 2.434 20 30 FEEDRO COCC[N@H+](C)CCOc1cccc(CNC(=O)c2cc(C#N)oc2C)c1 ZINC000435679316 559927860 /nfs/dbraw/zinc/92/78/60/559927860.db2.gz YCAZDVNCCDWMOB-UHFFFAOYSA-N 1 0 371.437 2.347 20 30 FEEDRO COc1cc(CNC(=O)c2cc(C#N)oc2C)ccc1OCC[NH+](C)C ZINC000435680552 559927966 /nfs/dbraw/zinc/92/79/66/559927966.db2.gz GPCFDIVCJONYHE-UHFFFAOYSA-N 1 0 357.410 2.339 20 30 FEEDRO Cc1cc(C[NH2+]CCN(C)S(=O)(=O)c2ccc(F)cc2)ccc1C#N ZINC000435735819 559929062 /nfs/dbraw/zinc/92/90/62/559929062.db2.gz QOHCAGRQEDUVAA-UHFFFAOYSA-N 1 0 361.442 2.416 20 30 FEEDRO CCc1nc(CN(C(C)=O)[C@@H]2CCN(Cc3ccc(C#N)s3)C2)no1 ZINC000435878688 559931666 /nfs/dbraw/zinc/93/16/66/559931666.db2.gz FDUQEOIZJNBQLS-CYBMUJFWSA-N 1 0 359.455 2.188 20 30 FEEDRO Cc1oc(C#N)cc1C(=O)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000436130542 559935893 /nfs/dbraw/zinc/93/58/93/559935893.db2.gz XPRJVULEJQGKRP-UHFFFAOYSA-N 1 0 366.421 2.409 20 30 FEEDRO N#Cc1cccc(NC(=O)CC[N@@H+]2CCC[C@@H]2C(=O)NCc2ccco2)c1 ZINC000436462841 559942037 /nfs/dbraw/zinc/94/20/37/559942037.db2.gz VEJRTUZXJAAEAF-GOSISDBHSA-N 1 0 366.421 2.261 20 30 FEEDRO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000437499546 559965157 /nfs/dbraw/zinc/96/51/57/559965157.db2.gz VLLRQBFLXRSYIC-WIYYLYMNSA-N 1 0 357.498 2.296 20 30 FEEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N=c2ccn(CCC#N)[nH]2)C1 ZINC000438334686 559977512 /nfs/dbraw/zinc/97/75/12/559977512.db2.gz MPMRZHSGGLLDLX-WBVHZDCISA-N 1 0 352.442 2.754 20 30 FEEDRO COc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H]1CCCC[N@@H+]1CC(C)C ZINC000439455548 559994203 /nfs/dbraw/zinc/99/42/03/559994203.db2.gz VGCDYBQVZUBHHS-INIZCTEOSA-N 1 0 372.469 2.132 20 30 FEEDRO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCC[C@](COC)(C(=O)OCC)C1 ZINC000439479463 559995235 /nfs/dbraw/zinc/99/52/35/559995235.db2.gz SKDZLXDUEBXRPX-LPHOPBHVSA-N 1 0 354.491 2.091 20 30 FEEDRO Cc1ccc(NC(=O)C(=O)N(C[C@H](C)C#N)C2CC2)c(OCC[NH+](C)C)c1 ZINC000441903719 560040671 /nfs/dbraw/zinc/04/06/71/560040671.db2.gz DLSXQWFVRCCDDO-OAHLLOKOSA-N 1 0 372.469 2.025 20 30 FEEDRO C[C@H](NC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1)C(C)(C)C[NH+](C)C ZINC000443244480 560076140 /nfs/dbraw/zinc/07/61/40/560076140.db2.gz OZHYVLVLXVFCBK-KRWDZBQOSA-N 1 0 371.529 2.362 20 30 FEEDRO CC(C)[C@@H](CNc1ccc(C(F)(F)F)c(C#N)n1)[NH+]1CCN(C)CC1 ZINC000443440622 560083949 /nfs/dbraw/zinc/08/39/49/560083949.db2.gz SRBRAGHTLQFNBA-OAHLLOKOSA-N 1 0 355.408 2.656 20 30 FEEDRO Cc1cc(C[NH2+]C[C@@H](O)COc2ccc3c(c2)CCC(=O)N3)ccc1C#N ZINC000443988881 560098569 /nfs/dbraw/zinc/09/85/69/560098569.db2.gz PKXHDZNOCHAAPT-GOSISDBHSA-N 1 0 365.433 2.281 20 30 FEEDRO N#CC(CC[N@H+]1CC[C@@H](S(N)(=O)=O)C1)(c1ccccc1)c1ccccc1 ZINC000444668247 560117800 /nfs/dbraw/zinc/11/78/00/560117800.db2.gz ZIPBKHBLDKFVCV-LJQANCHMSA-N 1 0 369.490 2.249 20 30 FEEDRO N#Cc1cccnc1OC1CCC(NC(=O)NCCC[NH+]2CCCC2)CC1 ZINC000445555314 560132856 /nfs/dbraw/zinc/13/28/56/560132856.db2.gz AZXRVELXJLAZJG-UHFFFAOYSA-N 1 0 371.485 2.428 20 30 FEEDRO C=CCc1ccccc1OC[C@H](O)C[N@H+]1C[C@H](C)OC2(CCOCC2)C1 ZINC000447820801 560170112 /nfs/dbraw/zinc/17/01/12/560170112.db2.gz HZLVANMKAHRTAE-PKOBYXMFSA-N 1 0 361.482 2.425 20 30 FEEDRO CN(C[C@@H]1CC[N@H+](C)C1)C(=O)COc1cccc(Br)c1C#N ZINC000449840277 560242020 /nfs/dbraw/zinc/24/20/20/560242020.db2.gz GIZBNOQPZDSJNQ-GFCCVEGCSA-N 1 0 366.259 2.110 20 30 FEEDRO CN(CC[NH+]1CCCC1)C(=O)COc1cccc(Br)c1C#N ZINC000449840213 560242095 /nfs/dbraw/zinc/24/20/95/560242095.db2.gz PJZDTHKPFQZTOZ-UHFFFAOYSA-N 1 0 366.259 2.254 20 30 FEEDRO C[C@@H]1CN(C(=O)COc2cccc(Br)c2C#N)C[C@H]1[NH+](C)C ZINC000449988286 560247510 /nfs/dbraw/zinc/24/75/10/560247510.db2.gz SCTREWLMLVWNKJ-BXUZGUMPSA-N 1 0 366.259 2.108 20 30 FEEDRO C=CCNC(=O)CN1CCN(c2cc[nH+]c3ccc(OC(C)C)cc32)CC1 ZINC000450233848 560255006 /nfs/dbraw/zinc/25/50/06/560255006.db2.gz PABJSGMAPZYQBK-UHFFFAOYSA-N 1 0 368.481 2.446 20 30 FEEDRO N#Cc1cccc(NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000450244071 560255371 /nfs/dbraw/zinc/25/53/71/560255371.db2.gz UAPZESLBLJZYJG-QGZVFWFLSA-N 1 0 352.394 2.298 20 30 FEEDRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 ZINC000450372880 560260487 /nfs/dbraw/zinc/26/04/87/560260487.db2.gz BBMQUBXHRKQDPJ-NFAWXSAZSA-N 1 0 374.872 2.116 20 30 FEEDRO CC(C)[NH+]1CCC(N2CCN(c3cccc(C#N)c3[N+](=O)[O-])CC2)CC1 ZINC000450396393 560261237 /nfs/dbraw/zinc/26/12/37/560261237.db2.gz WRAXRKXYOZTWRM-UHFFFAOYSA-N 1 0 357.458 2.461 20 30 FEEDRO COc1cc(OC)c2ncc(C#N)c(NC[C@@H]3CCC[N@@H+]3CCCO)c2c1 ZINC000450588522 560267213 /nfs/dbraw/zinc/26/72/13/560267213.db2.gz BOEAFSYRDIDQRD-HNNXBMFYSA-N 1 0 370.453 2.382 20 30 FEEDRO N#Cc1cccc(S(=O)(=O)CCN2CCC3(CCC(O)CC3)CC2)c1 ZINC000451151159 560290129 /nfs/dbraw/zinc/29/01/29/560290129.db2.gz APDSEESZIINZSM-UHFFFAOYSA-N 1 0 362.495 2.349 20 30 FEEDRO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1ccc(CC#N)cc1Cl ZINC000451190189 560292356 /nfs/dbraw/zinc/29/23/56/560292356.db2.gz KLXDBURKOZRBBQ-TZMCWYRMSA-N 1 0 353.875 2.263 20 30 FEEDRO C[NH+](C)CC[C@@H](NS(=O)(=O)Cc1ccc(F)cc1C#N)C(C)(C)C ZINC000451210186 560293230 /nfs/dbraw/zinc/29/32/30/560293230.db2.gz QWYQNHOGMVLLNF-MRXNPFEDSA-N 1 0 355.479 2.483 20 30 FEEDRO CC(=O)N1CCC[N@H+](C[C@@H]2CCCN(Cc3ccc(F)c(C#N)c3)C2)CC1 ZINC000451540757 560313189 /nfs/dbraw/zinc/31/31/89/560313189.db2.gz XFJNYFRQPZICMN-IBGZPJMESA-N 1 0 372.488 2.464 20 30 FEEDRO CC(=O)N1CCC[N@H+](C[C@H]2CCCN(Cc3ccc(F)c(C#N)c3)C2)CC1 ZINC000451540759 560313348 /nfs/dbraw/zinc/31/33/48/560313348.db2.gz XFJNYFRQPZICMN-LJQANCHMSA-N 1 0 372.488 2.464 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]CC(=O)Nc1ccnn1Cc1ccccc1Cl ZINC000451597491 560316700 /nfs/dbraw/zinc/31/67/00/560316700.db2.gz IQBOLMAPSNPVNM-CVEARBPZSA-N 1 0 360.845 2.456 20 30 FEEDRO CC(C)[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)[C@@H](CO)C(C)C ZINC000451603889 560317052 /nfs/dbraw/zinc/31/70/52/560317052.db2.gz XURNTQZNAYPJGD-ZWKOTPCHSA-N 1 0 352.500 2.211 20 30 FEEDRO C[C@@H]1CN(Cc2ccc(Br)cc2C#N)C[C@H](C)[N@H+]1CCO ZINC000451666921 560320870 /nfs/dbraw/zinc/32/08/70/560320870.db2.gz SQCAPTYQFWGDBP-BETUJISGSA-N 1 0 352.276 2.208 20 30 FEEDRO C=CCNC(=O)NC(=O)[C@H](C)N1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000451886291 560334784 /nfs/dbraw/zinc/33/47/84/560334784.db2.gz CWDQJOFULFTYHC-HNNXBMFYSA-N 1 0 352.523 2.219 20 30 FEEDRO C=CCn1c([C@H]2CCCO2)nnc1N1CC[N@@H+](CCOCC)[C@H](CC)C1 ZINC000453412363 560386157 /nfs/dbraw/zinc/38/61/57/560386157.db2.gz GOBPINICIGFJGA-IAGOWNOFSA-N 1 0 363.506 2.253 20 30 FEEDRO Cc1cc(C#N)cc(NC(=O)C(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)c1 ZINC000453573334 560389110 /nfs/dbraw/zinc/38/91/10/560389110.db2.gz IKNZZVYGJJJDCV-LJQANCHMSA-N 1 0 364.449 2.094 20 30 FEEDRO Cc1cc(C#N)cc(NC(=O)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000453573358 560389195 /nfs/dbraw/zinc/38/91/95/560389195.db2.gz IMEDAKWTEHWFAH-GOSISDBHSA-N 1 0 362.433 2.196 20 30 FEEDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)Nc1cccc(CC#N)c1 ZINC000453613682 560391237 /nfs/dbraw/zinc/39/12/37/560391237.db2.gz NUJKAAMYSJLPHN-OAGGEKHMSA-N 1 0 356.470 2.174 20 30 FEEDRO CC[NH+](CC)[C@@H](CNC(=O)C(=O)Nc1cccc(CC#N)c1)c1ccco1 ZINC000453639293 560392476 /nfs/dbraw/zinc/39/24/76/560392476.db2.gz PDADHUNUAJQESA-KRWDZBQOSA-N 1 0 368.437 2.483 20 30 FEEDRO N#CCc1cccc(NC(=O)C(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000453653692 560393718 /nfs/dbraw/zinc/39/37/18/560393718.db2.gz HDXNFYCWZGTNTC-KRWDZBQOSA-N 1 0 354.454 2.026 20 30 FEEDRO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2ccc(CC#N)cc2Cl)C1 ZINC000453674671 560395750 /nfs/dbraw/zinc/39/57/50/560395750.db2.gz ODVHLSURGRCCEO-CQSZACIVSA-N 1 0 362.861 2.145 20 30 FEEDRO C[C@H]1[C@@H](NC(=O)C(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)CCC[N@@H+]1C ZINC000453698899 560397645 /nfs/dbraw/zinc/39/76/45/560397645.db2.gz JRKUPMYIXWUQHO-BBRMVZONSA-N 1 0 372.469 2.273 20 30 FEEDRO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1ccc(CC#N)cc1Cl ZINC000453714844 560398936 /nfs/dbraw/zinc/39/89/36/560398936.db2.gz QSHFJLRXDZKOON-GJZGRUSLSA-N 1 0 374.872 2.430 20 30 FEEDRO CCCN(CC[NH+]1CCCCCC1)C(=O)C(=O)Nc1ccc(C#N)c(C)n1 ZINC000453741234 560400917 /nfs/dbraw/zinc/40/09/17/560400917.db2.gz APYTWUKSEYGZFY-UHFFFAOYSA-N 1 0 371.485 2.315 20 30 FEEDRO C[C@H]1CN(C(=O)C(=O)Nc2cccc(CC#N)c2)CC[N@@H+](C2CCC2)C1 ZINC000453768152 560402821 /nfs/dbraw/zinc/40/28/21/560402821.db2.gz UFUXNDDRDHHDMV-OAHLLOKOSA-N 1 0 354.454 2.024 20 30 FEEDRO C=C(C)CCNC(=O)C(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000453900707 560411782 /nfs/dbraw/zinc/41/17/82/560411782.db2.gz ZWFAJBZJZQTLCX-UHFFFAOYSA-N 1 0 370.497 2.240 20 30 FEEDRO C=CCC[C@H](CO)NC(=O)C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000454049625 560424914 /nfs/dbraw/zinc/42/49/14/560424914.db2.gz CNTDSFXSSYSFHK-QFBILLFUSA-N 1 0 373.497 2.300 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1NC(=O)N[C@H]1CC[N@@H+](CCCOCC)C[C@H]1C ZINC000454532742 560448524 /nfs/dbraw/zinc/44/85/24/560448524.db2.gz ZBHPTWICRYAILW-XDNAFOTISA-N 1 0 353.507 2.156 20 30 FEEDRO C=CC(C)(C)CNC(=O)N1CCC(OCCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000455380028 560480212 /nfs/dbraw/zinc/48/02/12/560480212.db2.gz FTFGEMMODRMDDM-CALCHBBNSA-N 1 0 367.534 2.498 20 30 FEEDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NCc1ccc(C#N)c(F)c1 ZINC000455550395 560486677 /nfs/dbraw/zinc/48/66/77/560486677.db2.gz VZCAOTSFMZRORK-AWEZNQCLSA-N 1 0 360.433 2.092 20 30 FEEDRO C[NH+](C)CCOc1cc(CNC(=O)Nc2cccc(CC#N)c2)ccn1 ZINC000455899418 560499592 /nfs/dbraw/zinc/49/95/92/560499592.db2.gz AJBNFGXSUNBZPT-UHFFFAOYSA-N 1 0 353.426 2.410 20 30 FEEDRO COCC[NH+](CCOC)C1CCN(C(=O)Nc2cccc(CC#N)c2)CC1 ZINC000455902358 560499704 /nfs/dbraw/zinc/49/97/04/560499704.db2.gz GVDDQDWUHDRADH-UHFFFAOYSA-N 1 0 374.485 2.344 20 30 FEEDRO C[C@H]1CN(C(=O)Nc2cccc(CC#N)c2)CCN1C1CC[NH+](C)CC1 ZINC000455906082 560499857 /nfs/dbraw/zinc/49/98/57/560499857.db2.gz MWNRLTOJDXLIHH-INIZCTEOSA-N 1 0 355.486 2.385 20 30 FEEDRO C=CCN1C(=O)c2ccc(C(=O)N3CC[N@@H+](CC)C[C@H]3CC)cc2C1=O ZINC000456346726 560516419 /nfs/dbraw/zinc/51/64/19/560516419.db2.gz JDMNGKHDDDQMRT-OAHLLOKOSA-N 1 0 355.438 2.025 20 30 FEEDRO C[NH+](C)CC(C)(C)NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 ZINC000457256081 560558740 /nfs/dbraw/zinc/55/87/40/560558740.db2.gz YNAIWSIYMDJCNN-CYBMUJFWSA-N 1 0 362.861 2.021 20 30 FEEDRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)N[C@H]2CC[C@@H](CC#N)C2)CC1 ZINC000459004513 560661267 /nfs/dbraw/zinc/66/12/67/560661267.db2.gz GQFWJZMSUXUVTL-RDGPPVDQSA-N 1 0 361.534 2.269 20 30 FEEDRO N#CC[C@@H]1CC[C@H](NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)C1 ZINC000459006950 560661486 /nfs/dbraw/zinc/66/14/86/560661486.db2.gz JFCGQOYWKONRRN-OJAHFUOMSA-N 1 0 370.497 2.251 20 30 FEEDRO CC(C)(CC#N)CNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000459257790 560676516 /nfs/dbraw/zinc/67/65/16/560676516.db2.gz KOROTWYWFAFNNR-ROUUACIJSA-N 1 0 358.486 2.108 20 30 FEEDRO CO[C@@H]1C[C@@H](NC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)C12CCC2 ZINC000459300445 560678359 /nfs/dbraw/zinc/67/83/59/560678359.db2.gz KDCSQSBDCQFHLK-RTBURBONSA-N 1 0 368.481 2.343 20 30 FEEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH2+]C2(CO)CCSCC2)c1 ZINC000459716978 560704085 /nfs/dbraw/zinc/70/40/85/560704085.db2.gz SNCILXCSXKBXGK-UHFFFAOYSA-N 1 0 361.511 2.398 20 30 FEEDRO N#CCN1CCC[C@H](CNC(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)C1 ZINC000461482733 560773684 /nfs/dbraw/zinc/77/36/84/560773684.db2.gz SBFWOPNIZREIHS-RTBURBONSA-N 1 0 372.488 2.389 20 30 FEEDRO CC[NH+]1CCN(Cc2ccc(CNC(=O)N[C@H]3CCC[C@H]3C#N)cc2)CC1 ZINC000461943024 560789109 /nfs/dbraw/zinc/78/91/09/560789109.db2.gz VNDIKJHULVAGLX-PMACEKPBSA-N 1 0 369.513 2.316 20 30 FEEDRO N#C[C@@H]1CCC[C@@H]1NC(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000461954022 560789441 /nfs/dbraw/zinc/78/94/41/560789441.db2.gz FKLNRRPYHVSYAA-HKUYNNGSSA-N 1 0 356.470 2.135 20 30 FEEDRO C=C[C@H](C)NC(=O)C(=O)Nc1cccc(NC(=O)C[NH+]2CCCCCC2)c1 ZINC000465352003 560863771 /nfs/dbraw/zinc/86/37/71/560863771.db2.gz YVUOSVPCGLIIFA-HNNXBMFYSA-N 1 0 372.469 2.130 20 30 FEEDRO N#CCc1ccc(CN2C(=O)N[C@]3(CC[N@H+](Cc4ccccc4)C3)C2=O)cc1 ZINC000466355733 560884842 /nfs/dbraw/zinc/88/48/42/560884842.db2.gz JYOYCLVFQIENSL-QFIPXVFZSA-N 1 0 374.444 2.449 20 30 FEEDRO CCN(CC)C(=O)CCC1CC[NH+]([C@@H](C)C(=O)NC2(C#N)CCC2)CC1 ZINC000469759737 560963786 /nfs/dbraw/zinc/96/37/86/560963786.db2.gz CKYTYTYOKPAEED-INIZCTEOSA-N 1 0 362.518 2.298 20 30 FEEDRO COC(=O)[C@@H]1CCN(CC(=O)N(CCC#N)c2cccc(C)c2C)[C@H]1C ZINC000469855080 560966740 /nfs/dbraw/zinc/96/67/40/560966740.db2.gz UFMRUCVCHWWPRP-DLBZAZTESA-N 1 0 357.454 2.434 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N2C[C@H](CC)N(C(C)=O)C[C@@H]2CC)CC1 ZINC000472999303 561039932 /nfs/dbraw/zinc/03/99/32/561039932.db2.gz ITUDENSZYFVRAQ-ROUUACIJSA-N 1 0 350.507 2.068 20 30 FEEDRO N#Cc1ccc([C@@H](C(N)=O)N2CCC(O)(Cc3cccc(F)c3)CC2)cc1 ZINC000473438999 561050178 /nfs/dbraw/zinc/05/01/78/561050178.db2.gz DMZJUDYZGVOLQC-IBGZPJMESA-N 1 0 367.424 2.293 20 30 FEEDRO C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc(F)cc1C#N)C1CCCCC1 ZINC000473911100 561060492 /nfs/dbraw/zinc/06/04/92/561060492.db2.gz NSNTUYIZWJSBQJ-INIZCTEOSA-N 1 0 353.463 2.486 20 30 FEEDRO Cn1ncc(C(=O)N[C@@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)c1C#N ZINC000474788228 561082845 /nfs/dbraw/zinc/08/28/45/561082845.db2.gz QDKRCLBLQOPZPO-MRXNPFEDSA-N 1 0 365.437 2.010 20 30 FEEDRO Cn1ncc(C(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)c1C#N ZINC000476240019 561114310 /nfs/dbraw/zinc/11/43/10/561114310.db2.gz RXZMLHBBMUSOIK-NRFANRHFSA-N 1 0 363.465 2.420 20 30 FEEDRO C[NH+](C)CCOCCNC(=O)c1cccc(COc2cccc(C#N)c2)c1 ZINC000476298014 561115813 /nfs/dbraw/zinc/11/58/13/561115813.db2.gz SFGNVADUSFWTBD-UHFFFAOYSA-N 1 0 367.449 2.445 20 30 FEEDRO C=CCCC1(C(=O)N2CCO[C@@H](CN(C)CC(=O)OC(C)(C)C)C2)CC1 ZINC000477144673 561137791 /nfs/dbraw/zinc/13/77/91/561137791.db2.gz OLONURDCXCUAKW-INIZCTEOSA-N 1 0 366.502 2.234 20 30 FEEDRO CO[C@@H](Cc1ccc(F)cc1)C[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000528351437 562324177 /nfs/dbraw/zinc/32/41/77/562324177.db2.gz OHFUIBYBKQXXAH-IBGZPJMESA-N 1 0 354.429 2.472 20 30 FEEDRO CC1CCC([NH+]2CCN(C[C@@H](O)COc3ccccc3C#N)CC2)CC1 ZINC000528385133 562326150 /nfs/dbraw/zinc/32/61/50/562326150.db2.gz WMTWLKFARONCLD-LYBXBRPPSA-N 1 0 357.498 2.494 20 30 FEEDRO CC[N@@H+]1CC[C@@H](N(C)CC#CCN2C(=O)c3ccccc3C2=O)C[C@@H]1C ZINC000528399344 562326793 /nfs/dbraw/zinc/32/67/93/562326793.db2.gz VVWVPUYUAXVJRG-DLBZAZTESA-N 1 0 353.466 2.091 20 30 FEEDRO CN(C[C@H](O)COc1ccccc1C#N)[C@@H]1CCN(c2ccccc2)C1=O ZINC000528414339 562327808 /nfs/dbraw/zinc/32/78/08/562327808.db2.gz ADRZIEJLUYYKNQ-RBUKOAKNSA-N 1 0 365.433 2.035 20 30 FEEDRO C[C@H]1[N@H+](CC#CCN2C(=O)c3ccccc3C2=O)CCC12CCOCC2 ZINC000528447189 562329804 /nfs/dbraw/zinc/32/98/04/562329804.db2.gz XGURWPKLEUYNQV-MRXNPFEDSA-N 1 0 352.434 2.177 20 30 FEEDRO C[C@@](O)(C1CC[NH+](C[C@H](O)COc2ccccc2C#N)CC1)C(F)(F)F ZINC000528452012 562330099 /nfs/dbraw/zinc/33/00/99/562330099.db2.gz KMRCTQHWSNZXCU-DOTOQJQBSA-N 1 0 372.387 2.323 20 30 FEEDRO CC1(C)[C@H]([NH2+]CC#CCN2C(=O)c3ccccc3C2=O)[C@@H]2CCCO[C@H]21 ZINC000528518959 562333588 /nfs/dbraw/zinc/33/35/88/562333588.db2.gz KVSWGDSDUREWSR-RCCFBDPRSA-N 1 0 352.434 2.079 20 30 FEEDRO N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC000528554950 562336042 /nfs/dbraw/zinc/33/60/42/562336042.db2.gz MVKBTEPUGVBNHZ-PCCBWWKXSA-N 1 0 366.461 2.396 20 30 FEEDRO Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+]C[C@@H](O)COc2ccccc2C#N)cn1 ZINC000528558740 562336287 /nfs/dbraw/zinc/33/62/87/562336287.db2.gz ZLHKORZZBRDATL-UHOSZYNNSA-N 1 0 354.454 2.032 20 30 FEEDRO N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@](O)(c2ccccc2)C1 ZINC000528658513 562340605 /nfs/dbraw/zinc/34/06/05/562340605.db2.gz PQYKBMBJYVWPSK-CTNGQTDRSA-N 1 0 352.434 2.282 20 30 FEEDRO N#Cc1cc(NC(=O)NC[C@@H]2COCC[NH2+]2)ccc1Oc1ccccc1 ZINC000528688059 562342192 /nfs/dbraw/zinc/34/21/92/562342192.db2.gz LPBSRLJAMLSRIN-MRXNPFEDSA-N 1 0 352.394 2.460 20 30 FEEDRO N#Cc1ccccc1-c1ccc(CNC(=O)NC[C@H]2COCC[NH2+]2)cc1 ZINC000529320453 562369091 /nfs/dbraw/zinc/36/90/91/562369091.db2.gz FPZWEQJHYXHTHG-SFHVURJKSA-N 1 0 350.422 2.013 20 30 FEEDRO CC(=O)N1CC[C@H]([NH2+]C[C@@H](O)COc2ccccc2C#N)c2ccccc21 ZINC000530233608 562403181 /nfs/dbraw/zinc/40/31/81/562403181.db2.gz YNHXIEGZZKXVFA-MJGOQNOKSA-N 1 0 365.433 2.385 20 30 FEEDRO C[C@@H]([NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1)C(=O)NC1(C#N)CCC1 ZINC000530336858 562407496 /nfs/dbraw/zinc/40/74/96/562407496.db2.gz FLZVQQGVNSNPBZ-ACJLOTCBSA-N 1 0 355.438 2.449 20 30 FEEDRO CN1CCC(CNC(=O)Cc2cccc(C#N)c2)([NH+]2CCCCC2)CC1 ZINC000530675765 562420246 /nfs/dbraw/zinc/42/02/46/562420246.db2.gz VRKZEZMRLDZLPA-UHFFFAOYSA-N 1 0 354.498 2.167 20 30 FEEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)C[C@@H]1C ZINC000531012694 562431916 /nfs/dbraw/zinc/43/19/16/562431916.db2.gz HIXHSHJULDEJMD-WFASDCNBSA-N 1 0 362.861 2.481 20 30 FEEDRO Cn1ncc2cc(C(=O)N(CC[NH+](C)C)Cc3cccc(C#N)c3)cnc21 ZINC000531095746 562434583 /nfs/dbraw/zinc/43/45/83/562434583.db2.gz YIBPAUYQJVMJGN-UHFFFAOYSA-N 1 0 362.437 2.044 20 30 FEEDRO C[NH+]1CCC(C#N)(NC(=O)c2ccc(-c3n[nH]c(C4CC4)n3)cc2)CC1 ZINC000531151565 562436437 /nfs/dbraw/zinc/43/64/37/562436437.db2.gz UCTXSBUXITYLEJ-UHFFFAOYSA-N 1 0 350.426 2.067 20 30 FEEDRO COc1cccc(C[C@H]2CCC[N@@H+]2CC(=O)N(CCC#N)CCC#N)c1 ZINC000531588523 562450813 /nfs/dbraw/zinc/45/08/13/562450813.db2.gz XJHOMFKIEVOXBD-GOSISDBHSA-N 1 0 354.454 2.358 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2cnn(CC(F)(F)F)c2)CC1 ZINC000532174724 562469770 /nfs/dbraw/zinc/46/97/70/562469770.db2.gz ZJMFQLQYFCUHQC-UHFFFAOYSA-N 1 0 359.396 2.285 20 30 FEEDRO C[NH+]1CCN(Cc2ccc(NS(=O)(=O)c3cccc(C#N)c3)cc2)CC1 ZINC000532737360 562487128 /nfs/dbraw/zinc/48/71/28/562487128.db2.gz PLFSAEYUZSGQEB-UHFFFAOYSA-N 1 0 370.478 2.106 20 30 FEEDRO C[NH+]1CCC(C#N)(NC(=O)c2cncc(-c3ccc4c(c3)CCO4)c2)CC1 ZINC000532756379 562487719 /nfs/dbraw/zinc/48/77/19/562487719.db2.gz LSAVKCWQSJHNAV-UHFFFAOYSA-N 1 0 362.433 2.401 20 30 FEEDRO N#Cc1ccc(C[NH2+]C[C@H](O)COc2ccc3c(c2)CCC(=O)N3)c(F)c1 ZINC000533311864 562504953 /nfs/dbraw/zinc/50/49/53/562504953.db2.gz QGVBADVDNIZUSE-INIZCTEOSA-N 1 0 369.396 2.112 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N(C)C[C@H]1CCN(C(C)=O)C1)C(C)C ZINC000534376532 562532995 /nfs/dbraw/zinc/53/29/95/562532995.db2.gz GPSWTCMXGPHFSM-MOPGFXCFSA-N 1 0 364.534 2.195 20 30 FEEDRO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)[C@@H]1CCNC1=O ZINC000534662419 562539690 /nfs/dbraw/zinc/53/96/90/562539690.db2.gz UNPLAJPABKGAOL-CQSZACIVSA-N 1 0 360.483 2.038 20 30 FEEDRO N#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)s1 ZINC000536434014 562575380 /nfs/dbraw/zinc/57/53/80/562575380.db2.gz UNPPWLCGCGNVIW-DOTOQJQBSA-N 1 0 355.463 2.233 20 30 FEEDRO CN(CCC(=O)NCc1nc(-c2cccc(C#N)c2)c[nH]1)c1cc[nH+]cc1 ZINC000540927530 562597182 /nfs/dbraw/zinc/59/71/82/562597182.db2.gz IGSWWEPLFQTBGH-UHFFFAOYSA-N 1 0 360.421 2.486 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCN(c3cnccc3C)CC2)CC1 ZINC000540979193 562599308 /nfs/dbraw/zinc/59/93/08/562599308.db2.gz CIHRYTIOKQXXFU-UHFFFAOYSA-N 1 0 357.502 2.262 20 30 FEEDRO COC(=O)C[C@H]([NH2+]CC(=O)NCc1cccc(C#N)c1)C1CCCCC1 ZINC000541602872 562616319 /nfs/dbraw/zinc/61/63/19/562616319.db2.gz ZGBZWIJDWWVKOT-SFHVURJKSA-N 1 0 357.454 2.276 20 30 FEEDRO COc1cc(C#N)ccc1NC(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000546002512 562632508 /nfs/dbraw/zinc/63/25/08/562632508.db2.gz IYXDGIXBQPQUNC-QZTJIDSGSA-N 1 0 372.469 2.456 20 30 FEEDRO C[C@@H]([NH2+]CC(=O)N(CCC#N)CCC#N)c1ccc(-n2cccn2)c(F)c1 ZINC000549832523 562640492 /nfs/dbraw/zinc/64/04/92/562640492.db2.gz HDUFSPAPZXOUMJ-OAHLLOKOSA-N 1 0 368.416 2.318 20 30 FEEDRO N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC000602045093 567911484 /nfs/dbraw/zinc/91/14/84/567911484.db2.gz ZUWQOVPWSRXATN-IBGZPJMESA-N 1 0 370.472 2.411 20 30 FEEDRO N#CCCN1CCN(C(=O)N[C@@H](C[NH+]2CCCCC2)c2ccccc2)CC1 ZINC000602255284 567960305 /nfs/dbraw/zinc/96/03/05/567960305.db2.gz VCHPSJSUTLJXNF-FQEVSTJZSA-N 1 0 369.513 2.454 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@](C)(CO)Cc2ccccc2F)CC1 ZINC000636741711 567997128 /nfs/dbraw/zinc/99/71/28/567997128.db2.gz IESBZTXKCPQQFZ-FQEVSTJZSA-N 1 0 363.477 2.459 20 30 FEEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000602595822 567999552 /nfs/dbraw/zinc/99/95/52/567999552.db2.gz DDBRPCXCKLXLEI-XLIONFOSSA-N 1 0 357.498 2.442 20 30 FEEDRO C[C@H]1C[NH+](CCCN2CCN(c3ccccc3)CC2)C[C@H](C)N1CC#N ZINC000602849390 568000981 /nfs/dbraw/zinc/00/09/81/568000981.db2.gz LAZCYVACKSJYSM-PMACEKPBSA-N 1 0 355.530 2.117 20 30 FEEDRO C=CCc1ccc(OC[C@H](O)C[N@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)c(OC)c1 ZINC000602857621 568002772 /nfs/dbraw/zinc/00/27/72/568002772.db2.gz UJEKOEDNZPUTHO-ZIFCJYIRSA-N 1 0 373.497 2.082 20 30 FEEDRO N#CC1(C[C@@H](O)C[N@@H+]2CC[C@@H](Oc3cncc(Br)c3)C2)CC1 ZINC000602886102 568005767 /nfs/dbraw/zinc/00/57/67/568005767.db2.gz JCAZKSRLLRWFRA-ZIAGYGMSSA-N 1 0 366.259 2.352 20 30 FEEDRO N#CC1(CCC[N@H+](CCN2CCOCC2)[C@H]2CCSC2)CCOCC1 ZINC000602892486 568007489 /nfs/dbraw/zinc/00/74/89/568007489.db2.gz RVVFTZSGTLIBST-SFHVURJKSA-N 1 0 367.559 2.227 20 30 FEEDRO COc1cc(F)c(CN2CCN(c3nccnc3C#N)C[C@@H]2C)cc1OC ZINC000568400353 568030584 /nfs/dbraw/zinc/03/05/84/568030584.db2.gz ZCAKACUWPQBOLA-ZDUSSCGKSA-N 1 0 371.416 2.215 20 30 FEEDRO C[C@@H](C(=O)NC1(C#N)CCCCC1)n1cc(CC[NH+]2CCCCC2)nn1 ZINC000603177771 568068237 /nfs/dbraw/zinc/06/82/37/568068237.db2.gz UERDDPVHZXLQAV-INIZCTEOSA-N 1 0 358.490 2.210 20 30 FEEDRO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)n1cc([C@H]2CCC[NH2+]C2)nn1 ZINC000603194199 568072404 /nfs/dbraw/zinc/07/24/04/568072404.db2.gz GCZIWMQXEADZKN-GJZGRUSLSA-N 1 0 370.432 2.392 20 30 FEEDRO C[NH2+][C@@H](C)c1cn([C@H](C)C(=O)N(CCC#N)c2ccccc2OC)nn1 ZINC000603198415 568072896 /nfs/dbraw/zinc/07/28/96/568072896.db2.gz PVQANQKSWZVNFR-UONOGXRCSA-N 1 0 356.430 2.075 20 30 FEEDRO CC1CC[NH+](CCCCNc2ccc(C#N)cc2CS(N)(=O)=O)CC1 ZINC000603283088 568082637 /nfs/dbraw/zinc/08/26/37/568082637.db2.gz HTEUPONFCUUNSE-UHFFFAOYSA-N 1 0 364.515 2.271 20 30 FEEDRO CC(C)(C)C[N@H+](CCO)CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000609483510 568341178 /nfs/dbraw/zinc/34/11/78/568341178.db2.gz QIDDXYVBDBCAIZ-UHFFFAOYSA-N 1 0 355.442 2.023 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)Cc1cnc2c(C#N)cnn2c1 ZINC000569847385 568428154 /nfs/dbraw/zinc/42/81/54/568428154.db2.gz ROXXOSZCCASYQM-UHFFFAOYSA-N 1 0 370.407 2.443 20 30 FEEDRO CN(C)C[C@@H](Cc1ccccc1)[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000569900196 568434977 /nfs/dbraw/zinc/43/49/77/568434977.db2.gz XXCJKYUSLWBZLQ-LJQANCHMSA-N 1 0 371.506 2.094 20 30 FEEDRO COc1cc(C#N)ccc1OCC[NH2+][C@@H]1CCC[C@H]2CN(C(C)=O)C[C@@H]21 ZINC000570242928 568465487 /nfs/dbraw/zinc/46/54/87/568465487.db2.gz BANJWDCMACDFDQ-OKZBNKHCSA-N 1 0 357.454 2.182 20 30 FEEDRO Cc1ccc2ncc(C#N)c(N3CC[NH+]([C@@H]4CCNC(=O)CC4)CC3)c2c1 ZINC000570914674 568673340 /nfs/dbraw/zinc/67/33/40/568673340.db2.gz INRUKVJLJHVWCV-KRWDZBQOSA-N 1 0 363.465 2.206 20 30 FEEDRO CCOCCC[N@@H+]1CCC(=NNCc2ccc(-c3nn[nH]n3)cc2)[C@@H](C)C1 ZINC000821377817 607253982 /nfs/dbraw/zinc/25/39/82/607253982.db2.gz FDTJIRWDWJGWRM-HNNXBMFYSA-N 1 0 371.489 2.081 20 30 FEEDRO C=C(Br)CNC(=O)NCc1ccncc1OCCC[NH+](C)C ZINC000808245978 674448775 /nfs/dbraw/zinc/44/87/75/674448775.db2.gz LFMSDBUCQPDIJQ-UHFFFAOYSA-N 1 0 371.279 2.120 20 30 FEEDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1S(=O)(=O)Cc1cc(C#N)ccc1F ZINC000557852308 674471167 /nfs/dbraw/zinc/47/11/67/674471167.db2.gz DEYDXYLFUZJBNY-CXAGYDPISA-N 1 0 351.447 2.086 20 30 FEEDRO COc1cc(CN2CC[C@H]([NH2+]Cc3nc(C#N)cs3)C2)cc(OC)c1 ZINC000558485652 674499629 /nfs/dbraw/zinc/49/96/29/674499629.db2.gz HABOYGDXJXHMQV-AWEZNQCLSA-N 1 0 358.467 2.396 20 30 FEEDRO COc1ccc(C[NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)cc1-c1nn[nH]n1 ZINC000826202527 607567397 /nfs/dbraw/zinc/56/73/97/607567397.db2.gz CMYDBPSGVSDGHV-ZDUSSCGKSA-N 1 0 364.409 2.456 20 30 FEEDRO CC(C)[NH+]1CCN(C2CC[NH+]([C@H](C(=O)[O-])c3cccc(C#N)c3)CC2)CC1 ZINC000833499880 604938718 /nfs/dbraw/zinc/93/87/18/604938718.db2.gz RTQLQUJCXYXAFU-FQEVSTJZSA-N 1 0 370.497 2.174 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1c(Br)nnn1C)C(C)C ZINC000810087131 674530725 /nfs/dbraw/zinc/53/07/25/674530725.db2.gz PEVAFFIOJFOQRZ-GFCCVEGCSA-N 1 0 370.295 2.006 20 30 FEEDRO C[NH+](C)C[C@@H](NC(=O)C(=O)Nc1sccc1C#N)c1ccc(F)cc1 ZINC000559909750 674559978 /nfs/dbraw/zinc/55/99/78/674559978.db2.gz PVASXVRCIYTRJQ-CQSZACIVSA-N 1 0 360.414 2.116 20 30 FEEDRO C[C@@H]1C(N=Nc2ccccc2S(N)(=O)=O)CC[N@@H+]1Cc1ccccc1 ZINC000811649716 674618743 /nfs/dbraw/zinc/61/87/43/674618743.db2.gz VWCDSHRUSKCMHI-CQSZACIVSA-N 1 0 358.467 2.396 20 30 FEEDRO CN(CCC#N)C[C@@H](O)C[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000560870722 674622821 /nfs/dbraw/zinc/62/28/21/674622821.db2.gz MPHALMYEMFCKGK-IBGZPJMESA-N 1 0 364.921 2.100 20 30 FEEDRO C#C[C@@H](NC(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1)c1ccc(Cl)cc1 ZINC000811904771 674637646 /nfs/dbraw/zinc/63/76/46/674637646.db2.gz MRHZIIUNXVPWTR-MAUKXSAKSA-N 1 0 362.905 2.340 20 30 FEEDRO CC1(C(N)=O)C[NH+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000563068953 674843678 /nfs/dbraw/zinc/84/36/78/674843678.db2.gz SMFGUBVSKSSSDT-UHFFFAOYSA-N 1 0 360.483 2.024 20 30 FEEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCC[C@@H]1CCNC1=O ZINC000563411245 674883780 /nfs/dbraw/zinc/88/37/80/674883780.db2.gz AZHXZDUQYVUBIB-HNNXBMFYSA-N 1 0 363.531 2.111 20 30 FEEDRO C#CC[N@H+](C)CCCNS(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000815083023 674914515 /nfs/dbraw/zinc/91/45/15/674914515.db2.gz LMLYDORCPDVTLA-UHFFFAOYSA-N 1 0 352.353 2.078 20 30 FEEDRO C#CCNC(=O)CC[NH2+]C1(c2cccc(Br)c2)CCOCC1 ZINC000815065632 674909804 /nfs/dbraw/zinc/90/98/04/674909804.db2.gz JWLVTCJRNXDNAQ-UHFFFAOYSA-N 1 0 365.271 2.184 20 30 FEEDRO C#CCNC(=O)[C@H](C)[NH2+]C1(Cc2ccc(F)cc2Cl)CCOCC1 ZINC000815220902 674931740 /nfs/dbraw/zinc/93/17/40/674931740.db2.gz OYICESNEVCEEHE-ZDUSSCGKSA-N 1 0 352.837 2.298 20 30 FEEDRO C=CCC(F)(F)C(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000815592567 674960432 /nfs/dbraw/zinc/96/04/32/674960432.db2.gz MAIRFCLYAJYFMM-UHFFFAOYSA-N 1 0 357.445 2.039 20 30 FEEDRO CC(C)N1CCO[C@H](COC(=O)c2cnc(C(F)(F)F)c(C#N)c2)C1 ZINC000816016681 674997653 /nfs/dbraw/zinc/99/76/53/674997653.db2.gz XJUFMCLUKDIBSU-ZDUSSCGKSA-N 1 0 357.332 2.238 20 30 FEEDRO N#CCc1ccc(OC[C@@H](O)C[NH2+]CCOc2ncccc2Cl)cc1 ZINC000564851716 675068582 /nfs/dbraw/zinc/06/85/82/675068582.db2.gz FTCFKKOLQLMCGC-HNNXBMFYSA-N 1 0 361.829 2.209 20 30 FEEDRO C#CCOc1ccccc1C[NH2+]Cc1ccc(CS(=O)(=O)NC)cc1 ZINC000067216685 670455595 /nfs/dbraw/zinc/45/55/95/670455595.db2.gz ZYEFAISAOPJACA-UHFFFAOYSA-N 1 0 358.463 2.038 20 30 FEEDRO C=C(Br)CNC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000069244202 670482385 /nfs/dbraw/zinc/48/23/85/670482385.db2.gz CUMDHNSUQJPSCX-UHFFFAOYSA-N 1 0 360.296 2.229 20 30 FEEDRO C=C(Br)CNC(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000073096594 670499834 /nfs/dbraw/zinc/49/98/34/670499834.db2.gz HDNPROCFLBOWDY-UHFFFAOYSA-N 1 0 352.276 2.072 20 30 FEEDRO N#Cc1csc(C[NH2+]C2CCN(S(=O)(=O)C(F)(F)F)CC2)c1 ZINC000088757947 670692932 /nfs/dbraw/zinc/69/29/32/670692932.db2.gz VTMSKBRVYWXKGD-UHFFFAOYSA-N 1 0 353.391 2.023 20 30 FEEDRO [NH2+]=C(Nc1ccc2c(c1)OCCCO2)N[C@@H]1CCN(CC(F)(F)F)C1 ZINC000104181198 670791005 /nfs/dbraw/zinc/79/10/05/670791005.db2.gz ZRRDKTDWADWFJG-GFCCVEGCSA-N 1 0 358.364 2.211 20 30 FEEDRO CC(C)[N@H+](C)CC1CCN(S(=O)(=O)c2ccc(C#N)c(F)c2)CC1 ZINC000571140409 670822344 /nfs/dbraw/zinc/82/23/44/670822344.db2.gz BVZFVKYIROEDLV-UHFFFAOYSA-N 1 0 353.463 2.438 20 30 FEEDRO Cc1c2cc(C#N)ccc2sc1C(=O)NC[C@@]1(O)C[NH+]2CCC1CC2 ZINC000571297421 670851889 /nfs/dbraw/zinc/85/18/89/670851889.db2.gz KGIAGXOLGGZKDV-LJQANCHMSA-N 1 0 355.463 2.268 20 30 FEEDRO O=C(NCC[NH2+]Cc1ccc(F)c(Br)c1)C1N=CC=CC1=O ZINC000113361078 670884182 /nfs/dbraw/zinc/88/41/82/670884182.db2.gz GYRPQHULJPVMBL-PFONDFGASA-N 1 0 368.206 2.204 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+]C[C@H]2CCCc3ccccc32)nc1 ZINC000572745496 671039664 /nfs/dbraw/zinc/03/96/64/671039664.db2.gz WXZQIYKVSWXSIE-QGZVFWFLSA-N 1 0 355.463 2.437 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+]C[C@@H]2CCCc3ccccc32)nc1 ZINC000572745495 671039859 /nfs/dbraw/zinc/03/98/59/671039859.db2.gz WXZQIYKVSWXSIE-KRWDZBQOSA-N 1 0 355.463 2.437 20 30 FEEDRO COC1CC[NH+](C2(CNS(=O)(=O)CCC(C)(C)C#N)CCCC2)CC1 ZINC000573289847 671104091 /nfs/dbraw/zinc/10/40/91/671104091.db2.gz LGNYAMKCELOKJZ-UHFFFAOYSA-N 1 0 371.547 2.269 20 30 FEEDRO C[NH+](C)CCN(C1CC1)S(=O)(=O)c1cccc(Br)c1C#N ZINC000574210559 671215037 /nfs/dbraw/zinc/21/50/37/671215037.db2.gz MGVYGGFUVFUOHQ-UHFFFAOYSA-N 1 0 372.288 2.035 20 30 FEEDRO Cc1cc(CC[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)cc(C)c1O ZINC000574983269 671290602 /nfs/dbraw/zinc/29/06/02/671290602.db2.gz ARPFRQCKMRMCAA-UHFFFAOYSA-N 1 0 358.463 2.487 20 30 FEEDRO N#Cc1ccc(CNC(=O)N2CCC(CC[NH+]3CCOCC3)CC2)s1 ZINC000579218444 671719933 /nfs/dbraw/zinc/71/99/33/671719933.db2.gz YZJSAAKLPAQFCP-UHFFFAOYSA-N 1 0 362.499 2.264 20 30 FEEDRO CCCCn1cc(CNCCS(=O)(=O)c2ccc(C#N)cc2)c(C)n1 ZINC000581603133 671916100 /nfs/dbraw/zinc/91/61/00/671916100.db2.gz LWNLXOBWIZWJSE-UHFFFAOYSA-N 1 0 360.483 2.427 20 30 FEEDRO CC[NH+](CC)CC#C[C@H](C)OC(=O)c1ccc(-n2cnnn2)cc1Cl ZINC000121566524 671952703 /nfs/dbraw/zinc/95/27/03/671952703.db2.gz UOPQUDDXAMMSRL-ZDUSSCGKSA-N 1 0 361.833 2.206 20 30 FEEDRO COc1ccc(C[NH2+]CC(C)(C)S(C)(=O)=O)cc1OCCCC#N ZINC000610511549 675977097 /nfs/dbraw/zinc/97/70/97/675977097.db2.gz AFHDEKIMGPURLS-UHFFFAOYSA-N 1 0 354.472 2.291 20 30 FEEDRO CCN(CC)c1ccc(/C=[NH+]/C[C@@H]2CCC[C@@H]2NS(C)(=O)=O)c(O)c1 ZINC000129371780 672061645 /nfs/dbraw/zinc/06/16/45/672061645.db2.gz UQGBGYGRYXVABJ-TWPRWMDBSA-N 1 0 367.515 2.375 20 30 FEEDRO C[NH+]=C(NC[C@@H]1CCCCO1)N1CCC(OC[C@H]2CCCCO2)CC1 ZINC000156116915 672242146 /nfs/dbraw/zinc/24/21/46/672242146.db2.gz HTZDUCPFSAKXAC-ZWKOTPCHSA-N 1 0 353.507 2.181 20 30 FEEDRO C=C(Br)CNC(=O)NCc1ccccc1OCC[NH+](C)C ZINC000171199085 672330491 /nfs/dbraw/zinc/33/04/91/672330491.db2.gz LLSNWRMGTKOWAY-UHFFFAOYSA-N 1 0 356.264 2.335 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccc(Cl)c(C(=O)NC)c2)CC1 ZINC000171737661 672335191 /nfs/dbraw/zinc/33/51/91/672335191.db2.gz RQMPRROSFSWGRW-UHFFFAOYSA-N 1 0 350.850 2.472 20 30 FEEDRO CCOC(=O)CC[C@@H]1CCC[N@@H+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000611037985 676013767 /nfs/dbraw/zinc/01/37/67/676013767.db2.gz FXFLANJKIYJKFN-GJYPPUQNSA-N 1 0 351.491 2.485 20 30 FEEDRO C[N@@H+]1C[C@@H]2CCN(CC(=O)Nc3sc4c(c3C#N)CCCCC4)[C@@H]2C1 ZINC000590012741 672554465 /nfs/dbraw/zinc/55/44/65/672554465.db2.gz XDOBZISKBHEFMJ-XJKSGUPXSA-N 1 0 358.511 2.463 20 30 FEEDRO C[C@H]1[C@@H]([NH+](C)C)CCN1S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000590589075 672593339 /nfs/dbraw/zinc/59/33/39/672593339.db2.gz LKTYMTTTYKZEKO-HZMBPMFUSA-N 1 0 361.389 2.290 20 30 FEEDRO N#Cc1cc(Cl)c(C(=O)NC[C@@H]2CCCC[N@H+]2CCO)c(Cl)c1 ZINC000590774378 672616682 /nfs/dbraw/zinc/61/66/82/672616682.db2.gz CSIPDOXGQJXOHM-LBPRGKRZSA-N 1 0 356.253 2.442 20 30 FEEDRO C[C@H]1CC2(CN1S(=O)(=O)c1ccc(C#N)cc1Cl)CC[NH2+]CC2 ZINC000591667409 672699010 /nfs/dbraw/zinc/69/90/10/672699010.db2.gz PFGBWANGELASNX-LBPRGKRZSA-N 1 0 353.875 2.364 20 30 FEEDRO N#CCN1CCC([NH2+]C[C@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000591736303 672706528 /nfs/dbraw/zinc/70/65/28/672706528.db2.gz OHTHDTJZRRXSAN-AWEZNQCLSA-N 1 0 358.269 2.311 20 30 FEEDRO C[C@H]([NH2+]C[C@H](O)CN(C)CCC#N)c1ccc(F)c(Br)c1 ZINC000591767863 672709497 /nfs/dbraw/zinc/70/94/97/672709497.db2.gz WQARFJYMIGAVRC-AAEUAGOBSA-N 1 0 358.255 2.445 20 30 FEEDRO C[C@H](C#N)Oc1ccc(C[NH2+]CCNS(=O)(=O)c2ccccc2)cc1 ZINC000237570456 672810679 /nfs/dbraw/zinc/81/06/79/672810679.db2.gz DJNQHGQSKKTLGH-OAHLLOKOSA-N 1 0 359.451 2.046 20 30 FEEDRO CC[NH+]=C(NCCc1ccc(Cl)cc1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261663633 672900837 /nfs/dbraw/zinc/90/08/37/672900837.db2.gz BDLJABWPELETSF-UHFFFAOYSA-N 1 0 371.934 2.357 20 30 FEEDRO C[NH+]=C(NCc1ccnc(-n2cccn2)c1)N1CCS[C@H](C(C)C)C1 ZINC000261660437 672900981 /nfs/dbraw/zinc/90/09/81/672900981.db2.gz AYKHPNKSWNWJFF-INIZCTEOSA-N 1 0 358.515 2.416 20 30 FEEDRO C[NH+]=C(NCC1(C(=O)N(C)C)CCCC1)N1CCS[C@@H](C(C)C)C1 ZINC000261726393 672902131 /nfs/dbraw/zinc/90/21/31/672902131.db2.gz IXFQXPDTYWSHHJ-OAHLLOKOSA-N 1 0 354.564 2.284 20 30 FEEDRO C[NH+]=C(NCc1sc(C)nc1C)N1CC(=O)N(C(C)C)C(C)(C)C1 ZINC000261780308 672903208 /nfs/dbraw/zinc/90/32/08/672903208.db2.gz FJYWJHNKSCAKIN-UHFFFAOYSA-N 1 0 351.520 2.167 20 30 FEEDRO CC[C@H](C)NC(=[NH2+])NCc1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1 ZINC000261888427 672905132 /nfs/dbraw/zinc/90/51/32/672905132.db2.gz SLWSHFOCPFUOFZ-GJZGRUSLSA-N 1 0 366.531 2.310 20 30 FEEDRO C[NH+]=C(NCc1scnc1C)N[C@@H]1CCN(c2ccccc2OC)C1 ZINC000261934198 672905317 /nfs/dbraw/zinc/90/53/17/672905317.db2.gz CBSMQCDGGPFGFD-CQSZACIVSA-N 1 0 359.499 2.404 20 30 FEEDRO C[NH+]=C(NCC(C)(C)c1cccc(C)c1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261970892 672906418 /nfs/dbraw/zinc/90/64/18/672906418.db2.gz MSQAJVVURLRYGX-UHFFFAOYSA-N 1 0 365.543 2.357 20 30 FEEDRO C[NH+]=C(NCc1csc([C@H](C)OC)n1)N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000262005229 672907519 /nfs/dbraw/zinc/90/75/19/672907519.db2.gz UNRACHPIEAMRTC-SCUASFONSA-N 1 0 352.504 2.329 20 30 FEEDRO O=S1(=O)CC[C@H](CNC(N[C@@H]2CC[C@@H]3CCCC[C@H]3C2)=[NH+]C2CC2)C1 ZINC000262222419 672910920 /nfs/dbraw/zinc/91/09/20/672910920.db2.gz KQWYRVCOBKOSFP-MUQADHOPSA-N 1 0 367.559 2.478 20 30 FEEDRO CS[C@@H]1CCC[C@H](NC(NC[C@@H]2CCS(=O)(=O)C2)=[NH+]C(C)C)C1 ZINC000262331098 672913449 /nfs/dbraw/zinc/91/34/49/672913449.db2.gz AYYYLKQVBKLWPL-SOUVJXGZSA-N 1 0 361.577 2.039 20 30 FEEDRO C[C@@H](CNC(=[NH2+])N1CCO[C@H](C)C1)Oc1ccc(Br)cc1 ZINC000262501048 672916890 /nfs/dbraw/zinc/91/68/90/672916890.db2.gz YJOHEHFHTNQLQZ-NWDGAFQWSA-N 1 0 356.264 2.252 20 30 FEEDRO CS(=O)(=O)N[C@@H]1CCCC[C@H]1CNC(=[NH2+])Nc1ccc2c(c1)CCC2 ZINC000262655469 672918735 /nfs/dbraw/zinc/91/87/35/672918735.db2.gz LOYAUFJQBGYIJY-DOTOQJQBSA-N 1 0 364.515 2.010 20 30 FEEDRO CN1CCC[NH+]=C1NCc1nc(-c2cccc(Br)c2)no1 ZINC000263162161 672929253 /nfs/dbraw/zinc/92/92/53/672929253.db2.gz QSTBXHLRVRJSON-UHFFFAOYSA-N 1 0 350.220 2.280 20 30 FEEDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)Cc1ccc(Br)cc1C#N ZINC000593521710 672932903 /nfs/dbraw/zinc/93/29/03/672932903.db2.gz OPDMEUSXBYHIIS-BZNIZROVSA-N 1 0 362.271 2.462 20 30 FEEDRO CS[C@H]1CN(S(=O)(=O)c2ccc(C(C)(C)C#N)cc2)C[C@@H]1[NH+](C)C ZINC000593571517 672946794 /nfs/dbraw/zinc/94/67/94/672946794.db2.gz UNZRWIRAMGUZTD-HOTGVXAUSA-N 1 0 367.540 2.154 20 30 FEEDRO CC[NH+](CC)CCOCCNS(=O)(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000593575952 672948626 /nfs/dbraw/zinc/94/86/26/672948626.db2.gz KVAYLIKFKOVBMO-UHFFFAOYSA-N 1 0 367.515 2.124 20 30 FEEDRO C=CC[C@@H]1CC[C@H]([NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000593598285 672954303 /nfs/dbraw/zinc/95/43/03/672954303.db2.gz NAECQDYAOQPORQ-KGLIPLIRSA-N 1 0 353.444 2.208 20 30 FEEDRO CCN(C[C@H](C)C#N)S(=O)(=O)NCCC[N@H+](CC)C1CCCCC1 ZINC000593627458 672962246 /nfs/dbraw/zinc/96/22/46/672962246.db2.gz UFRGHDDPQRYLPA-MRXNPFEDSA-N 1 0 358.552 2.347 20 30 FEEDRO CC(C)C[N@H+](C)CCCNC(=O)C(=O)Nc1cc(C#N)ccc1Cl ZINC000593656184 672972255 /nfs/dbraw/zinc/97/22/55/672972255.db2.gz BRODLIMHIQICJU-UHFFFAOYSA-N 1 0 350.850 2.244 20 30 FEEDRO C=CCN1CC[C@H]([N@H+](C)C[C@H](O)COc2ccc(Cl)c(Cl)c2)C1=O ZINC000685004367 672984763 /nfs/dbraw/zinc/98/47/63/672984763.db2.gz WRFSXPCOVHASGN-LRDDRELGSA-N 1 0 373.280 2.452 20 30 FEEDRO C#CCCS(=O)(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000288409628 672986058 /nfs/dbraw/zinc/98/60/58/672986058.db2.gz RBVJQLKUZNEPJS-UHFFFAOYSA-N 1 0 354.903 2.495 20 30 FEEDRO N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)NCCC2(C[NH3+])CC2)n1 ZINC000593764448 672989118 /nfs/dbraw/zinc/98/91/18/672989118.db2.gz WBDKROGRMFLXNG-UHFFFAOYSA-N 1 0 358.833 2.648 20 30 FEEDRO [NH2+]=C(NCCNC(=O)c1ccc(Cl)cc1)NCCc1cccs1 ZINC000303775408 673017694 /nfs/dbraw/zinc/01/76/94/673017694.db2.gz GVJNJRALXSIVGR-UHFFFAOYSA-N 1 0 350.875 2.278 20 30 FEEDRO CC(C)NC(=[NH2+])NC[C@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1 ZINC000303975213 673018991 /nfs/dbraw/zinc/01/89/91/673018991.db2.gz IVASTGMAIBUVJR-OAHLLOKOSA-N 1 0 358.408 2.391 20 30 FEEDRO COc1ccc(-c2nnc(CNC(=[NH2+])NCCc3cccs3)[nH]2)cc1 ZINC000303990371 673019659 /nfs/dbraw/zinc/01/96/59/673019659.db2.gz YLBFLGVPCFHGKX-UHFFFAOYSA-N 1 0 356.455 2.189 20 30 FEEDRO [NH2+]=C(NCc1cccc(S(=O)(=O)N2CCCCC2)c1)N1CCCCC1 ZINC000303979473 673019827 /nfs/dbraw/zinc/01/98/27/673019827.db2.gz NGMOAGQDTCCMEW-UHFFFAOYSA-N 1 0 364.515 2.162 20 30 FEEDRO CC(C)(CNC(=[NH2+])NCCCN1CCOCC1)c1cccc(Cl)c1 ZINC000303989007 673019854 /nfs/dbraw/zinc/01/98/54/673019854.db2.gz XFUGQRNRDDBPEV-UHFFFAOYSA-N 1 0 352.910 2.244 20 30 FEEDRO CCNS(=O)(=O)c1ccc(CNC(=[NH2+])Nc2ccc(CC)cc2)cc1 ZINC000305063855 673021478 /nfs/dbraw/zinc/02/14/78/673021478.db2.gz KUFHLBRCYQFTHX-UHFFFAOYSA-N 1 0 360.483 2.474 20 30 FEEDRO CC(C)OC(=O)C[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)C(C)C ZINC000594038473 673024277 /nfs/dbraw/zinc/02/42/77/673024277.db2.gz ABVOXUFRWQPMBL-QGZVFWFLSA-N 1 0 366.483 2.288 20 30 FEEDRO CC[N@@H+]1CCC[C@@H](NC(=O)c2cc(S(=O)(=O)NC3CC3)ccc2C)C1 ZINC000328911858 673069233 /nfs/dbraw/zinc/06/92/33/673069233.db2.gz ONCATYNBBMPLNY-OAHLLOKOSA-N 1 0 365.499 2.225 20 30 FEEDRO N#CCCCC[C@H]([NH3+])C(=O)N1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000594430104 673070781 /nfs/dbraw/zinc/07/07/81/673070781.db2.gz VURQXCGUSPOBSO-INIZCTEOSA-N 1 0 362.861 2.036 20 30 FEEDRO N#CCCCC[C@H]([NH3+])C(=O)Nc1cnc2c(Br)cccn12 ZINC000594467102 673078413 /nfs/dbraw/zinc/07/84/13/673078413.db2.gz FZWYZKJQUMYFSZ-NSHDSACASA-N 1 0 350.220 2.447 20 30 FEEDRO Cc1ncsc1CNC(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000329811857 673083948 /nfs/dbraw/zinc/08/39/48/673083948.db2.gz RTNLZIQRKQJDPX-UHFFFAOYSA-N 1 0 352.504 2.442 20 30 FEEDRO CCS(=O)(=O)N1CCC(C[NH2+]Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000594943437 673179441 /nfs/dbraw/zinc/17/94/41/673179441.db2.gz DUDMREQYOPJWIR-UHFFFAOYSA-N 1 0 361.511 2.393 20 30 FEEDRO N#Cc1ccccc1S(=O)(=O)N1CC[C@@H](c2ccc(F)cc2)[C@H]([NH3+])C1 ZINC000595131402 673198740 /nfs/dbraw/zinc/19/87/40/673198740.db2.gz XLSZKGYJIMZPBP-DLBZAZTESA-N 1 0 359.426 2.203 20 30 FEEDRO C=C(C)CNC(=S)C(C(=O)c1cc(C(=O)OC)co1)[n+]1ccccc1 ZINC000729668809 673243478 /nfs/dbraw/zinc/24/34/78/673243478.db2.gz PSIHSYKNOIWANG-UHFFFAOYSA-O 1 0 359.427 2.458 20 30 FEEDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CCC[C@H](CC#N)C2)[C@@H](C)C1 ZINC000595512322 673259637 /nfs/dbraw/zinc/25/96/37/673259637.db2.gz XOPJYXUBHBDZDK-KSZLIROESA-N 1 0 350.507 2.459 20 30 FEEDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)N2CCN(c3ccsc3C#N)CC2)C1 ZINC000595546201 673264069 /nfs/dbraw/zinc/26/40/69/673264069.db2.gz LHDPITMBWFIERU-OAHLLOKOSA-N 1 0 361.515 2.182 20 30 FEEDRO N#C[C@@H](c1cccs1)N1CCN(C(=O)C[N@@H+]2C[C@@H]3CCCC[C@@H]32)CC1 ZINC000595565911 673267766 /nfs/dbraw/zinc/26/77/66/673267766.db2.gz FSQJZHVVNYYZCC-ULQDDVLXSA-N 1 0 358.511 2.331 20 30 FEEDRO COC[C@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1C#N)C1CCOCC1 ZINC000595617043 673273819 /nfs/dbraw/zinc/27/38/19/673273819.db2.gz UUPSSJHNGSUHIL-INIZCTEOSA-N 1 0 351.834 2.181 20 30 FEEDRO C[C@@H](c1ccccc1)[C@H](CO)[NH2+]CCS(=O)(=O)c1cccc(C#N)c1 ZINC000613390104 676127111 /nfs/dbraw/zinc/12/71/11/676127111.db2.gz WPLIHNZGJDUVPU-KXBFYZLASA-N 1 0 358.463 2.086 20 30 FEEDRO COC(=O)[C@H]1C[C@@H]([N@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000595848321 673329852 /nfs/dbraw/zinc/32/98/52/673329852.db2.gz HBYBCGLZMVMAEN-TXEJJXNPSA-N 1 0 361.467 2.320 20 30 FEEDRO N#CC1(CC(=O)NCC2([NH+]3CCSCC3)CCCC2)CCOCC1 ZINC000596795303 673413706 /nfs/dbraw/zinc/41/37/06/673413706.db2.gz VQGCVCJDJARYNV-UHFFFAOYSA-N 1 0 351.516 2.175 20 30 FEEDRO CC(C)[NH+](CCNC(=O)C1CCN(C(=O)[C@H](C)CC#N)CC1)C(C)C ZINC000596945033 673429164 /nfs/dbraw/zinc/42/91/64/673429164.db2.gz ZFPFMOQCQMAKBF-MRXNPFEDSA-N 1 0 350.507 2.010 20 30 FEEDRO C=CCCOCCCCC(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000539402101 673488821 /nfs/dbraw/zinc/48/88/21/673488821.db2.gz PWIGVGRIWNFUTJ-UHFFFAOYSA-N 1 0 351.535 2.235 20 30 FEEDRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C ZINC000598265403 673553633 /nfs/dbraw/zinc/55/36/33/673553633.db2.gz SOPQZTSGLRDWPD-KXBFYZLASA-N 1 0 351.491 2.485 20 30 FEEDRO Cc1cc(CN2C[C@@H](F)C[C@H]2C[N@H+](C)C[C@H](O)CC(C)(C)C#N)on1 ZINC000598605444 673588825 /nfs/dbraw/zinc/58/88/25/673588825.db2.gz AQZIJTYKNCYJCW-HRCADAONSA-N 1 0 352.454 2.128 20 30 FEEDRO N#Cc1cc(S(=O)(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)ccc1C(F)(F)F ZINC000598723807 673603485 /nfs/dbraw/zinc/60/34/85/673603485.db2.gz HSJHOMXNPCISSM-SMDDNHRTSA-N 1 0 359.373 2.079 20 30 FEEDRO CC(C)(C#N)C[C@@H](O)C[NH2+][C@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 ZINC000598726640 673603758 /nfs/dbraw/zinc/60/37/58/673603758.db2.gz UAAJGOZGPCZFMQ-WCQYABFASA-N 1 0 353.825 2.475 20 30 FEEDRO CCC[C@@]1(C(=O)OCC)CCC[N@@H+]1C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599386710 673667656 /nfs/dbraw/zinc/66/76/56/673667656.db2.gz WNYUPPKXNODASW-LPHOPBHVSA-N 1 0 352.475 2.256 20 30 FEEDRO C=CC[C@@H]1CC[N@H+](CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)C1 ZINC000599530131 673688505 /nfs/dbraw/zinc/68/85/05/673688505.db2.gz UERLQVHDOPWLST-IAGOWNOFSA-N 1 0 358.511 2.355 20 30 FEEDRO C[C@@H]1CC[C@H](NC(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)C[NH2+]1 ZINC000599603799 673696376 /nfs/dbraw/zinc/69/63/76/673696376.db2.gz IZRLZVSEVAIMDT-YPMHNXCESA-N 1 0 358.833 2.659 20 30 FEEDRO C[NH+](C)CCCNC(=S)NN=C1CCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000741763750 673697066 /nfs/dbraw/zinc/69/70/66/673697066.db2.gz XDKVGSFHBJTGIJ-CYBMUJFWSA-N 1 0 371.551 2.083 20 30 FEEDRO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)NCCSCc1ccccc1C#N)C2 ZINC000599910095 673727263 /nfs/dbraw/zinc/72/72/63/673727263.db2.gz GNBCMWULOOYTAE-KDURUIRLSA-N 1 0 358.511 2.432 20 30 FEEDRO N#Cc1ccccc1OC[C@@H](O)C[NH2+]CCN1CCc2sccc2C1 ZINC000600718223 673794239 /nfs/dbraw/zinc/79/42/39/673794239.db2.gz FUAYQGWYFNXRDU-KRWDZBQOSA-N 1 0 357.479 2.007 20 30 FEEDRO N#CC1(C[C@@H](O)C[NH2+]Cc2cccc(OCC(F)F)c2)CCOCC1 ZINC000600721221 673794308 /nfs/dbraw/zinc/79/43/08/673794308.db2.gz BNPLEUSVJMRECJ-OAHLLOKOSA-N 1 0 354.397 2.491 20 30 FEEDRO N#CC1(C[C@@H](O)C[NH2+]CCN2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000600725233 673794690 /nfs/dbraw/zinc/79/46/90/673794690.db2.gz DTUWLYHZIXSDTH-GOSISDBHSA-N 1 0 362.905 2.106 20 30 FEEDRO N#CC1(C[C@H](O)C[NH2+]Cc2cc(Cl)cc3c2OCC3)CCOCC1 ZINC000600733091 673795181 /nfs/dbraw/zinc/79/51/81/673795181.db2.gz AZZOPGQXQQNHFK-INIZCTEOSA-N 1 0 350.846 2.436 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+]C[C@@H]2Cc3ccccc3CO2)cc1 ZINC000600743448 673795908 /nfs/dbraw/zinc/79/59/08/673795908.db2.gz CFHGQFWXGATTLV-SFHVURJKSA-N 1 0 356.447 2.063 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(F)c(Cl)c2F)c1C#N ZINC000546904560 673826886 /nfs/dbraw/zinc/82/68/86/673826886.db2.gz XFHRKGOVRINZQE-UHFFFAOYSA-N 1 0 353.760 2.617 20 30 FEEDRO C[NH+]1CCC(C#N)(NC(=O)c2ccc3nc(C(F)(F)F)cn3c2)CC1 ZINC000547436612 673850100 /nfs/dbraw/zinc/85/01/00/673850100.db2.gz NRSVEEMOAFQGFN-UHFFFAOYSA-N 1 0 351.332 2.071 20 30 FEEDRO Cc1nsc(NC(=O)N2CC3(CCCC3)OC[C@@H]2C[NH+](C)C)c1C#N ZINC000603009925 673915425 /nfs/dbraw/zinc/91/54/25/673915425.db2.gz BBJTZFLSKJFIFF-ZDUSSCGKSA-N 1 0 363.487 2.430 20 30 FEEDRO Cc1nsc(NC(=O)N2CC3(CCCC3)OC[C@H]2C[NH+](C)C)c1C#N ZINC000603009924 673915626 /nfs/dbraw/zinc/91/56/26/673915626.db2.gz BBJTZFLSKJFIFF-CYBMUJFWSA-N 1 0 363.487 2.430 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)CSc1ncnc2sc(C)c(C)c21 ZINC000818589103 675226354 /nfs/dbraw/zinc/22/63/54/675226354.db2.gz QTNXCGKEXYRPOB-UHFFFAOYSA-N 1 0 362.524 2.472 20 30 FEEDRO C#CC[N@@H+](C)CCCNC(=O)[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1CC ZINC000818602920 675227823 /nfs/dbraw/zinc/22/78/23/675227823.db2.gz JMSRAYYDAVVHBZ-JKSUJKDBSA-N 1 0 351.491 2.093 20 30 FEEDRO CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)NCC[NH+]1CCCCC1 ZINC000819106828 675260751 /nfs/dbraw/zinc/26/07/51/675260751.db2.gz BHJXYBCOHKWTAE-HNNXBMFYSA-N 1 0 352.479 2.176 20 30 FEEDRO N#Cc1ccc(OC[C@H](O)C[NH2+][C@@H]2CC[C@H]3SCCS[C@H]23)cc1 ZINC000819197583 675268802 /nfs/dbraw/zinc/26/88/02/675268802.db2.gz KVQSSVHCLQDRNA-MWQQHZPXSA-N 1 0 350.509 2.267 20 30 FEEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+][C@@H]2CC[C@H]3SCCS[C@@H]23)c1 ZINC000819197255 675268962 /nfs/dbraw/zinc/26/89/62/675268962.db2.gz HOYXTOSAUHGJOD-OAGGEKHMSA-N 1 0 368.549 2.301 20 30 FEEDRO N#C[C@]1(F)CCN(C(=O)NCC2([NH+]3CCSCC3)CCCCC2)C1 ZINC000615591742 676220649 /nfs/dbraw/zinc/22/06/49/676220649.db2.gz INUYMHXSADELSJ-MRXNPFEDSA-N 1 0 354.495 2.385 20 30 FEEDRO N#Cc1ncc(Br)cc1N1CC[NH+](C2CCOCC2)CC1 ZINC000820670054 675377888 /nfs/dbraw/zinc/37/78/88/675377888.db2.gz ISJUAKNWBFIJSU-UHFFFAOYSA-N 1 0 351.248 2.017 20 30 FEEDRO C#C[C@@H](NC(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1)c1ccc(Cl)cc1F ZINC000820749612 675385045 /nfs/dbraw/zinc/38/50/45/675385045.db2.gz DDLQDANDFXDTGJ-IIYDPXPESA-N 1 0 367.852 2.250 20 30 FEEDRO CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)C[C@H]2CC[N@H+](C)C2)C1=O ZINC000822582942 675493040 /nfs/dbraw/zinc/49/30/40/675493040.db2.gz IRAXALLOSSSCNA-RDTXWAMCSA-N 1 0 352.479 2.030 20 30 FEEDRO CCCN(C(=O)OC(C)(C)C)[C@@H](C)C(=O)NC1(C#N)CC[NH+](C)CC1 ZINC000823157209 675533006 /nfs/dbraw/zinc/53/30/06/675533006.db2.gz QAWZPQIPQJDPIZ-AWEZNQCLSA-N 1 0 352.479 2.126 20 30 FEEDRO C=CCN1C(=S)N=NC1c1sc(NC(=O)C[C@H]([NH3+])C2CC2)nc1C ZINC000826532831 675690648 /nfs/dbraw/zinc/69/06/48/675690648.db2.gz YQQFSNFOSCOSML-JTQLQIEISA-N 1 0 364.500 2.251 20 30 FEEDRO COc1cc(C[NH2+]Cc2ccc(N(C)S(C)(=O)=O)cc2)ccc1C#N ZINC000619653818 676389336 /nfs/dbraw/zinc/38/93/36/676389336.db2.gz PBCYQSCLMBXOBZ-UHFFFAOYSA-N 1 0 359.451 2.252 20 30 FEEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627445710 676755304 /nfs/dbraw/zinc/75/53/04/676755304.db2.gz VWHAJXTYWOZYGM-CYBMUJFWSA-N 1 0 367.902 2.317 20 30 FEEDRO C=CCNC(=O)CNC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000637476157 677129256 /nfs/dbraw/zinc/12/92/56/677129256.db2.gz YHCPESMAVPXNOU-CQSZACIVSA-N 1 0 373.284 2.198 20 30 FEEDRO C=CCN(CC(F)(F)F)C(=O)c1nnn(C2CC[NH2+]CC2)c1C(F)F ZINC000637947793 677136590 /nfs/dbraw/zinc/13/65/90/677136590.db2.gz CBIOYDNTFNBDAG-UHFFFAOYSA-N 1 0 367.322 2.331 20 30 FEEDRO C=CC[C@@]1(C(=O)NC[C@H](C)c2ccc(S(C)(=O)=O)cc2)CCC[NH2+]1 ZINC000639017503 677152843 /nfs/dbraw/zinc/15/28/43/677152843.db2.gz HLZICTJTGVCAQU-KSSFIOAISA-N 1 0 350.484 2.008 20 30 FEEDRO C=CCNS(=O)(=O)c1ccccc1NC1CC[NH+](CCCOC)CC1 ZINC000641336118 677201627 /nfs/dbraw/zinc/20/16/27/677201627.db2.gz ZAFHANLSXPADRL-UHFFFAOYSA-N 1 0 367.515 2.064 20 30 FEEDRO CC#CC[C@@H](CO)[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000641768152 677215279 /nfs/dbraw/zinc/21/52/79/677215279.db2.gz XMNKCYPGQQJYMX-INIZCTEOSA-N 1 0 367.287 2.150 20 30 FEEDRO C=CCOCC[NH2+]Cc1cc(Br)ccc1O[C@H](C)C(=O)NC ZINC000648509838 677316910 /nfs/dbraw/zinc/31/69/10/677316910.db2.gz GFUDILTZRNOLQP-GFCCVEGCSA-N 1 0 371.275 2.255 20 30 FEEDRO C#C[C@H](NC(=O)NC[C@H](c1ccc(SC)cc1)[NH+](C)C)[C@@H]1CCCO1 ZINC000838560222 680701648 /nfs/dbraw/zinc/70/16/48/680701648.db2.gz UVSWBPDYUNOBFJ-KSZLIROESA-N 1 0 361.511 2.491 20 30 FEEDRO C=CC[C@@H]1CCCC[C@H]1NS(=O)(=O)c1c(C)nn(CC[NH+](C)C)c1C ZINC000657036666 677919962 /nfs/dbraw/zinc/91/99/62/677919962.db2.gz LJWRQQRYGCJESL-IAGOWNOFSA-N 1 0 368.547 2.475 20 30 FEEDRO C=CC[C@@H]1CCCN(C(=O)C(=O)N(CC[NH+](C)C)Cc2cccs2)C1 ZINC000658606257 678106174 /nfs/dbraw/zinc/10/61/74/678106174.db2.gz OAIMDRHGSRYUFC-MRXNPFEDSA-N 1 0 363.527 2.453 20 30 FEEDRO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+](C)CCCN(C)C(=O)OC(C)(C)C ZINC000839658499 680769715 /nfs/dbraw/zinc/76/97/15/680769715.db2.gz URRIJPGBGCDDPR-CQSZACIVSA-N 1 0 352.479 2.126 20 30 FEEDRO C=CC[C@@]1(C(=O)Nc2ccc(NS(=O)(=O)CC)c(C)c2)CCC[NH2+]1 ZINC000662518693 678632541 /nfs/dbraw/zinc/63/25/41/678632541.db2.gz IMLCHLDBMVJIAN-KRWDZBQOSA-N 1 0 351.472 2.393 20 30 FEEDRO C=CC[C@]1(C(=O)N2C[C@H]3Oc4c(F)ccc(F)c4O[C@H]3C2)CCC[NH2+]1 ZINC000662821509 678664957 /nfs/dbraw/zinc/66/49/57/678664957.db2.gz ZEDYCQBPNRHLPE-QWQRMKEZSA-N 1 0 350.365 2.014 20 30 FEEDRO C=C(C[NH+](C)C)C(=O)N[C@H](CC(=O)OC)c1cccc(Br)c1 ZINC000764429340 680808765 /nfs/dbraw/zinc/80/87/65/680808765.db2.gz ZMKUQSUPGQYZIU-CQSZACIVSA-N 1 0 369.259 2.287 20 30 FEEDRO C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N(C)Cc1cscn1 ZINC000669034374 679216067 /nfs/dbraw/zinc/21/60/67/679216067.db2.gz LMILCIXXRFKWPL-CABCVRRESA-N 1 0 360.487 2.093 20 30 FEEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)Nc1nnc(SCc2ccccc2)s1 ZINC000841010994 680859373 /nfs/dbraw/zinc/85/93/73/680859373.db2.gz ZHZZFIMDGHRRJA-RYUDHWBXSA-N 1 0 360.468 2.063 20 30 FEEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)Nc1ccc(Oc2ccc(Cl)nn2)cc1 ZINC000841115710 680864228 /nfs/dbraw/zinc/86/42/28/680864228.db2.gz IGCUNVOIYZEYRU-GXFFZTMASA-N 1 0 358.789 2.155 20 30 FEEDRO C#CC[N@H+](C)CCCNS(=O)(=O)c1cccc2c(Cl)ccnc21 ZINC000831637537 680015773 /nfs/dbraw/zinc/01/57/73/680015773.db2.gz OFJXBTHQKGDOCO-UHFFFAOYSA-N 1 0 351.859 2.122 20 30 FEEDRO C=C(Br)CN1CCC2(C[C@@H]2NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001016632544 680059742 /nfs/dbraw/zinc/05/97/42/680059742.db2.gz RHRYURLGBQTBOY-KFWWJZLASA-N 1 0 370.335 2.206 20 30 FEEDRO C=CCCC[C@H]([NH3+])C(=O)NCC(=O)Nc1ccc(Br)cc1C ZINC000912044588 685304683 /nfs/dbraw/zinc/30/46/83/685304683.db2.gz XQWBVYYSEUUQFX-ZDUSSCGKSA-N 1 0 368.275 2.496 20 30 FEEDRO C=C(Br)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2cccnc2)C1 ZINC001020615020 680112221 /nfs/dbraw/zinc/11/22/21/680112221.db2.gz FDFADLTUMRLIAM-ZQDZILKHSA-N 1 0 350.260 2.331 20 30 FEEDRO CC[C@@H]1CCO[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@H]21 ZINC000978299027 680171812 /nfs/dbraw/zinc/17/18/12/680171812.db2.gz BOSFDRAARAQHJX-FUEZWAHWSA-N 1 0 359.495 2.229 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1cnn(-c2ccc(Cl)cc2)n1 ZINC000751712223 680195871 /nfs/dbraw/zinc/19/58/71/680195871.db2.gz IGVALCKLSLNZKN-UHFFFAOYSA-N 1 0 360.849 2.228 20 30 FEEDRO C=C(Cl)C(C)(C)C(=O)N1C[C@@H]2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)[C@@H]2C1 ZINC001022717557 680232218 /nfs/dbraw/zinc/23/22/18/680232218.db2.gz DJWFQCVQSGIRQN-CWRNSKLLSA-N 1 0 367.921 2.309 20 30 FEEDRO Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000834498851 680235223 /nfs/dbraw/zinc/23/52/23/680235223.db2.gz CEWAEKWUPNFWQD-GOEBONIOSA-N 1 0 357.845 2.043 20 30 FEEDRO C#CCOCCNC(=O)Nc1cc(Cl)ccc1N1CC[NH+](CC)CC1 ZINC000752424065 680241572 /nfs/dbraw/zinc/24/15/72/680241572.db2.gz BHVPMVBVASMXLO-UHFFFAOYSA-N 1 0 364.877 2.253 20 30 FEEDRO C=CCS(=O)(=O)CC[NH2+][C@@H](CC)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000834761677 680264310 /nfs/dbraw/zinc/26/43/10/680264310.db2.gz RKPVGIJAYQCNEY-LSDHHAIUSA-N 1 0 360.520 2.355 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC2(C1)CCC[N@@H+](C[C@H](CC)OC)C2 ZINC000982064847 680265686 /nfs/dbraw/zinc/26/56/86/680265686.db2.gz ZFQUUROFJDRERT-BZSNNMDCSA-N 1 0 350.503 2.317 20 30 FEEDRO Cc1cnc(C=NNC(=S)NC2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000834923172 680282805 /nfs/dbraw/zinc/28/28/05/680282805.db2.gz ANEJPBCPUJPBNA-UHFFFAOYSA-N 1 0 357.483 2.446 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@@H](C[NH2+]Cc2csnn2)C1 ZINC001024191794 680283278 /nfs/dbraw/zinc/28/32/78/680283278.db2.gz DQNGQROYZKBGDB-XIRDDKMYSA-N 1 0 364.515 2.238 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC2(CO[C@H](C[NH2+]C(C)C)C2)CC1 ZINC000982905095 680292875 /nfs/dbraw/zinc/29/28/75/680292875.db2.gz MJUBYTOAHDVZKO-KSZLIROESA-N 1 0 350.503 2.363 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC2(CO[C@@H](C[NH2+]C(C)C)C2)CC1 ZINC000982928718 680294048 /nfs/dbraw/zinc/29/40/48/680294048.db2.gz OIKQZNQJLSQFOH-SQNIBIBYSA-N 1 0 350.503 2.363 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC([NH2+]Cc2cc(OC)ns2)CC1 ZINC000997080205 680346686 /nfs/dbraw/zinc/34/66/86/680346686.db2.gz MWGSBXJHDJFDKI-RDJZCZTQSA-N 1 0 365.499 2.214 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC([NH2+]C[C@H]2CCCOC2)CC1 ZINC000997087718 680347312 /nfs/dbraw/zinc/34/73/12/680347312.db2.gz YYVHXSKYDXLSDZ-NEWSRXKRSA-N 1 0 350.503 2.365 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](Cc2cc(F)ccc2F)C1 ZINC001028809145 680383508 /nfs/dbraw/zinc/38/35/08/680383508.db2.gz KQYLNFRDPZIXCI-XCRHUMRWSA-N 1 0 350.409 2.494 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2csc(Cl)n2)C1 ZINC000984826567 680384584 /nfs/dbraw/zinc/38/45/84/680384584.db2.gz WMDNZJKMXZHGJA-OXHZDVMGSA-N 1 0 355.891 2.372 20 30 FEEDRO C[N@@H+](Cc1ccc(C#N)s1)C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC001029848763 680394082 /nfs/dbraw/zinc/39/40/82/680394082.db2.gz FPZQKOJQYYSIGX-JFTQMJAMSA-N 1 0 359.495 2.468 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC(C[N@H+](C)C[C@H]2CCOC2)CC1 ZINC001029965897 680394501 /nfs/dbraw/zinc/39/45/01/680394501.db2.gz FJFSPTQKFGXZKT-QRVBRYPASA-N 1 0 350.503 2.175 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(C[N@@H+](C)C[C@H]2CCCCO2)CC1 ZINC001029997759 680395771 /nfs/dbraw/zinc/39/57/71/680395771.db2.gz CPMXSRPBYUWBFF-QRVBRYPASA-N 1 0 350.503 2.317 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CCC2CCOCC2)C1 ZINC000999182320 680397002 /nfs/dbraw/zinc/39/70/02/680397002.db2.gz OTBGMSRHMUWOGB-OTWHNJEPSA-N 1 0 350.503 2.365 20 30 FEEDRO N#Cc1ccc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)s1 ZINC000999754154 680412342 /nfs/dbraw/zinc/41/23/42/680412342.db2.gz YDRBBYVEHVIBDO-LTUQZUHASA-N 1 0 357.479 2.124 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](CCCC2CCOCC2)C1 ZINC001033431703 680423169 /nfs/dbraw/zinc/42/31/69/680423169.db2.gz HPWVQRNOIOBYJA-OTWHNJEPSA-N 1 0 350.503 2.317 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCC[N@H+](CCC2CCOCC2)C1 ZINC001034408655 680435706 /nfs/dbraw/zinc/43/57/06/680435706.db2.gz MGCMKVCSDSTYBZ-QRVBRYPASA-N 1 0 350.503 2.365 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1C[N@H+](CCC2CCCC2)CCO1 ZINC001035541392 680450588 /nfs/dbraw/zinc/45/05/88/680450588.db2.gz HKBWAHFZTRQKCO-FHWLQOOXSA-N 1 0 350.503 2.365 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1 ZINC000836379760 680460636 /nfs/dbraw/zinc/46/06/36/680460636.db2.gz QUCYXHSGHOJNMC-AWEZNQCLSA-N 1 0 366.868 2.312 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC([N@H+](C)CC[C@H]2CCCO2)CC1 ZINC000985695224 680471426 /nfs/dbraw/zinc/47/14/26/680471426.db2.gz VEROBZZLLITGJI-QYZOEREBSA-N 1 0 350.503 2.460 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)NC[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000836488719 680476297 /nfs/dbraw/zinc/47/62/97/680476297.db2.gz MJADIKRMEAKAKJ-HNNXBMFYSA-N 1 0 358.269 2.281 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)N1CCC2(CC1)OCCc1ccsc12 ZINC000836490269 680476645 /nfs/dbraw/zinc/47/66/45/680476645.db2.gz QVAGDJFIOFFPPD-UHFFFAOYSA-N 1 0 361.511 2.277 20 30 FEEDRO CC(=NNC(=S)NCCC[NH+](C)C)c1ncc(Br)s1 ZINC000756890257 680503451 /nfs/dbraw/zinc/50/34/51/680503451.db2.gz VNOPGGNSKNGZFS-UHFFFAOYSA-N 1 0 364.338 2.045 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)NC1CC[NH+](C[C@@H](OC)C2CCCC2)CC1 ZINC001003652765 680537945 /nfs/dbraw/zinc/53/79/45/680537945.db2.gz OXCMXGXETAVHHZ-CEXWTWQISA-N 1 0 350.503 2.363 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1ncc(Cl)n1C ZINC001045237406 680625810 /nfs/dbraw/zinc/62/58/10/680625810.db2.gz AVYQTVXWVIMQSS-ZQIUZPCESA-N 1 0 366.893 2.135 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)NC1(C)CC[NH+](C[C@H]2CCCOC2)CC1 ZINC001045443123 680629807 /nfs/dbraw/zinc/62/98/07/680629807.db2.gz WQBUIRFKJFQQGQ-KURKYZTESA-N 1 0 350.503 2.365 20 30 FEEDRO C#CCC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCCO[C@H]2C(=C)C)C1 ZINC001046979560 680655702 /nfs/dbraw/zinc/65/57/02/680655702.db2.gz BUAAVOUHMHSWEB-IKGGRYGDSA-N 1 0 354.441 2.454 20 30 FEEDRO Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000841219035 680869564 /nfs/dbraw/zinc/86/95/64/680869564.db2.gz DGLOQGYCWULCAJ-WCBMZHEXSA-N 1 0 350.835 2.035 20 30 FEEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)Nc1nc2c(cccc2Br)s1 ZINC000841239212 680870751 /nfs/dbraw/zinc/87/07/51/680870751.db2.gz XDRCMAKCYMJLLT-IONNQARKSA-N 1 0 366.244 2.292 20 30 FEEDRO Cc1nc(NC(=O)N[C@H]2C[NH2+]C[C@H]2C#N)sc1Cc1ccccc1F ZINC000841258835 680871902 /nfs/dbraw/zinc/87/19/02/680871902.db2.gz HQLPPSWUQZGZMG-OCCSQVGLSA-N 1 0 359.430 2.415 20 30 FEEDRO COCC[NH2+]CCNC(=O)NCc1cccc(-c2ccc(C#N)s2)c1 ZINC000841830642 680914050 /nfs/dbraw/zinc/91/40/50/680914050.db2.gz KGXPMGKZWSQSFS-UHFFFAOYSA-N 1 0 358.467 2.322 20 30 FEEDRO C#C[C@H](NC(=O)NCC1(COC)CC[NH2+]CC1)c1ccc(Cl)cc1F ZINC000841990623 680920413 /nfs/dbraw/zinc/92/04/13/680920413.db2.gz AOOKFSJKDAIQPW-INIZCTEOSA-N 1 0 367.852 2.469 20 30 FEEDRO C[NH+](C)CCCNC(=S)NC1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000768289559 680943145 /nfs/dbraw/zinc/94/31/45/680943145.db2.gz FLBJURYNJGYRJJ-UHFFFAOYSA-N 1 0 361.515 2.059 20 30 FEEDRO CC(C)(C)[NH+]=C(NCCC(=O)NC1CCCCC1)NC[C@H]1CCCO1 ZINC000912508965 685388606 /nfs/dbraw/zinc/38/86/06/685388606.db2.gz UDXTUOKCNSUONG-MRXNPFEDSA-N 1 0 352.523 2.338 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)OCc2cc(Br)cnc2OC)CC1 ZINC000769277033 680976314 /nfs/dbraw/zinc/97/63/14/680976314.db2.gz ASXGMVFBCVDQDQ-UHFFFAOYSA-N 1 0 367.243 2.241 20 30 FEEDRO C=CCCCC[NH2+][C@@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000769987940 681002297 /nfs/dbraw/zinc/00/22/97/681002297.db2.gz LFCHCGJDWHWBCP-AWEZNQCLSA-N 1 0 374.528 2.419 20 30 FEEDRO CC[NH+](CC)CC#C[C@@H](C)OC(=O)[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000770790720 681027662 /nfs/dbraw/zinc/02/76/62/681027662.db2.gz HQOBFXSTLOGPQM-HZPDHXFCSA-N 1 0 365.495 2.471 20 30 FEEDRO Cc1csc2nc(C[N@H+](C)C[C@@H](O)c3cccc(C#N)c3)cc(=O)n12 ZINC000844365180 681054178 /nfs/dbraw/zinc/05/41/78/681054178.db2.gz CBDNALMQTGDBHP-MRXNPFEDSA-N 1 0 354.435 2.102 20 30 FEEDRO C[C@@H]1[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)CCN1c1snc(Cl)c1C#N ZINC001051014581 681059935 /nfs/dbraw/zinc/05/99/35/681059935.db2.gz ABICNWOBGVMPAW-LOWVWBTDSA-N 1 0 367.906 2.093 20 30 FEEDRO CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(c3snc(C)c3C#N)[C@@H]2C)CC[N@@H+]1C ZINC001051130474 681063814 /nfs/dbraw/zinc/06/38/14/681063814.db2.gz IZFPLMCMKMLULO-BFJAYTPKSA-N 1 0 361.515 2.137 20 30 FEEDRO N#Cc1cccc(C[NH+]2CCC(NC(=S)NC3CCOCC3)CC2)c1 ZINC000844595958 681067992 /nfs/dbraw/zinc/06/79/92/681067992.db2.gz DCWFTBHQYPMOCA-UHFFFAOYSA-N 1 0 358.511 2.166 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@@]2(CC[N@@H+](CCOC)C2)C1 ZINC001054212862 681106580 /nfs/dbraw/zinc/10/65/80/681106580.db2.gz OTFSJGMFXXYRHA-BJLQDIEVSA-N 1 0 350.503 2.319 20 30 FEEDRO C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1CNc1nc(C#N)c(Cl)s1 ZINC001054410273 681107547 /nfs/dbraw/zinc/10/75/47/681107547.db2.gz UBSIBPZJXKBJIQ-GRYCIOLGSA-N 1 0 367.906 2.126 20 30 FEEDRO Cc1nsc(NC[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C)C[C@H]2C)c1C#N ZINC001054694155 681115397 /nfs/dbraw/zinc/11/53/97/681115397.db2.gz JNLUHYMFNCSOJN-XNRPHZJLSA-N 1 0 361.515 2.314 20 30 FEEDRO C#C[C@@H](NC(=O)NCC1([NH+]2CCSCC2)CCCCC1)[C@@H]1CCCO1 ZINC000773555931 681148166 /nfs/dbraw/zinc/14/81/66/681148166.db2.gz GNEALJHSQOWNBQ-SJORKVTESA-N 1 0 365.543 2.218 20 30 FEEDRO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](Nc3nc(Cl)c(C#N)s3)C2)CC[N@@H+]1C ZINC001059096352 681178698 /nfs/dbraw/zinc/17/86/98/681178698.db2.gz DOAJTCAVCDSKGC-SDDRHHMPSA-N 1 0 367.906 2.411 20 30 FEEDRO N#CC[C@H](NC(=O)N1CC2(C1)C[NH+](Cc1ccccc1)C2)C(F)(F)F ZINC000932895230 681324000 /nfs/dbraw/zinc/32/40/00/681324000.db2.gz NMXVVLSOVHKDNB-AWEZNQCLSA-N 1 0 352.360 2.358 20 30 FEEDRO COc1cccc([C@@H](CNC(=O)N[C@@H](CC#N)C(F)(F)F)[NH+](C)C)c1 ZINC000932928913 681330136 /nfs/dbraw/zinc/33/01/36/681330136.db2.gz VAQLPHMYWBITDV-KGLIPLIRSA-N 1 0 358.364 2.442 20 30 FEEDRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)C1 ZINC000847181285 681341199 /nfs/dbraw/zinc/34/11/99/681341199.db2.gz ZCBDKGYMONKIKN-ZNMIVQPWSA-N 1 0 352.479 2.030 20 30 FEEDRO C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C ZINC000847491021 681385758 /nfs/dbraw/zinc/38/57/58/681385758.db2.gz FXNJKEWZELIUOP-CABCVRRESA-N 1 0 352.479 2.174 20 30 FEEDRO C#CCC[NH+]1CCN(C[C@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000776593099 681412570 /nfs/dbraw/zinc/41/25/70/681412570.db2.gz RBIMEQYFVSEMKQ-AWEZNQCLSA-N 1 0 357.281 2.374 20 30 FEEDRO C[C@@H](C#N)OCC[NH+]1CCC2(CC1)CN(C(=O)OC(C)(C)C)CCO2 ZINC000933464154 681416566 /nfs/dbraw/zinc/41/65/66/681416566.db2.gz XRRDKIQQGQQJKH-HNNXBMFYSA-N 1 0 353.463 2.017 20 30 FEEDRO C[N@@H+]1C[C@@H]2CN(CCC(=O)Nc3sc4c(c3C#N)CCC4)C[C@]2(C)C1 ZINC000933739874 681460506 /nfs/dbraw/zinc/46/05/06/681460506.db2.gz JGVATDAAHGHGBP-YJYMSZOUSA-N 1 0 358.511 2.321 20 30 FEEDRO CC[NH+](CC)CC[C@H](CO)NC(=O)C#Cc1ccc(C(F)(F)F)cc1 ZINC000848025653 681464111 /nfs/dbraw/zinc/46/41/11/681464111.db2.gz YRWRBTJYINMTJH-MRXNPFEDSA-N 1 0 356.388 2.266 20 30 FEEDRO C#CCOCC[N@H+]1C[C@H](C)OC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000933860019 681475435 /nfs/dbraw/zinc/47/54/35/681475435.db2.gz XIZTZGMTNQLZGN-INIZCTEOSA-N 1 0 352.475 2.127 20 30 FEEDRO CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000848939980 681645652 /nfs/dbraw/zinc/64/56/52/681645652.db2.gz FIIBRUGZWQIZHJ-CABCVRRESA-N 1 0 352.479 2.222 20 30 FEEDRO C[NH+]=C(NC[C@@H](CO)Cc1cccc(Br)c1C)NC1CC1 ZINC000849110404 681654955 /nfs/dbraw/zinc/65/49/55/681654955.db2.gz WFKQQSWUBZKXSY-LBPRGKRZSA-N 1 0 354.292 2.236 20 30 FEEDRO C=C(Cl)C(C)(C)C(=O)N1CCC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000950928936 681718153 /nfs/dbraw/zinc/71/81/53/681718153.db2.gz ISUNGARNYXYLAH-BPLDGKMQSA-N 1 0 355.910 2.213 20 30 FEEDRO C[C@@H](Oc1ccc(F)cc1Br)C(=O)NCC#CC[NH+](C)C ZINC000913516971 685479222 /nfs/dbraw/zinc/47/92/22/685479222.db2.gz NJKNCHFTRQMGOM-LLVKDONJSA-N 1 0 357.223 2.037 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)NCc2cc(Br)ccc2F)CC1 ZINC000914143744 685496095 /nfs/dbraw/zinc/49/60/95/685496095.db2.gz KQDNSFDPWITQQF-UHFFFAOYSA-N 1 0 368.250 2.485 20 30 FEEDRO CC1(C)C[N@H+](Cc2ccc(C#N)s2)CC[C@@H]1NC(=O)[C@]12C[C@H]1COC2 ZINC000940759077 682080367 /nfs/dbraw/zinc/08/03/67/682080367.db2.gz FTZAKUHFMHUOIR-AXHNFQJDSA-N 1 0 359.495 2.373 20 30 FEEDRO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C(C)(C)C1 ZINC000940915688 682087051 /nfs/dbraw/zinc/08/70/51/682087051.db2.gz VDWMCSSYFJPRMW-XLAORIBOSA-N 1 0 350.503 2.221 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([C@H]2CCC[N@@H+](CCOC)C2)CC1 ZINC000961411750 682092130 /nfs/dbraw/zinc/09/21/30/682092130.db2.gz NWHPPIUHHZJECZ-OTWHNJEPSA-N 1 0 350.503 2.175 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1CC(C[NH2+]Cc2snnc2C)C1 ZINC000962402085 682117696 /nfs/dbraw/zinc/11/76/96/682117696.db2.gz RZABPUXTBYDKNM-NDTCATRNSA-N 1 0 364.515 2.202 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N(C)Cc2ncc(Br)cn2)CC1 ZINC000917137080 685529985 /nfs/dbraw/zinc/52/99/85/685529985.db2.gz KVWJOEPMBOLZGW-UHFFFAOYSA-N 1 0 368.279 2.031 20 30 FEEDRO N#Cc1ccc(NC(=O)CC[NH+]2CCC3(COC(=O)N3)CC2)cc1Cl ZINC000784459534 682229198 /nfs/dbraw/zinc/22/91/98/682229198.db2.gz LFNXNJZPOFRAKG-UHFFFAOYSA-N 1 0 362.817 2.115 20 30 FEEDRO C[NH+](C)[C@@H](CNc1cccc(S(N)(=O)=O)c1C#N)C1CCCCC1 ZINC000784570926 682238268 /nfs/dbraw/zinc/23/82/68/682238268.db2.gz ILYAVPBCJLFFGK-INIZCTEOSA-N 1 0 350.488 2.128 20 30 FEEDRO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+](C)CC(C)(C)NC(=O)OC(C)(C)C ZINC000852307070 682257313 /nfs/dbraw/zinc/25/73/13/682257313.db2.gz PVIHWBHZCAZTRM-CYBMUJFWSA-N 1 0 352.479 2.172 20 30 FEEDRO CCOP(=O)(OCC)[C@H](O)C[NH+]1CCN(c2ccsc2C#N)CC1 ZINC000852343177 682264192 /nfs/dbraw/zinc/26/41/92/682264192.db2.gz RQURTTFWMFNJMZ-HNNXBMFYSA-N 1 0 373.415 2.326 20 30 FEEDRO C=C(Br)CN1CC([C@H](C)NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC000969687472 682271832 /nfs/dbraw/zinc/27/18/32/682271832.db2.gz CDHKXOUEKHYVFH-AEGPPILISA-N 1 0 358.324 2.062 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CCc2scnc2C)C1 ZINC000969693328 682272648 /nfs/dbraw/zinc/27/26/48/682272648.db2.gz RPEQLZHUODFSSK-XYPHTWIQSA-N 1 0 363.527 2.412 20 30 FEEDRO C#C[C@@H]([NH2+]C[C@@H](O)COc1ccccc1C(F)(F)F)C1CCOCC1 ZINC000853116558 682377980 /nfs/dbraw/zinc/37/79/80/682377980.db2.gz XPNFSIZIXXNOKT-GDBMZVCRSA-N 1 0 357.372 2.463 20 30 FEEDRO C=C(Cl)C(C)(C)C(=O)N1CC[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+](C)C)[C@@H]2C1 ZINC000972648893 682427647 /nfs/dbraw/zinc/42/76/47/682427647.db2.gz KRMGJCAGPMUAII-OAGGEKHMSA-N 1 0 367.921 2.165 20 30 FEEDRO C#CCn1ccc(CN(CC)C(=O)NC[C@H](c2cccs2)[NH+](C)C)n1 ZINC000788380340 682526668 /nfs/dbraw/zinc/52/66/68/682526668.db2.gz GEXFPNFWEUSBOM-MRXNPFEDSA-N 1 0 359.499 2.412 20 30 FEEDRO CC(C)NS(=O)(=O)c1ccc(N=NC2CCC[C@@H]([NH+](C)C)C2)nc1 ZINC000788424032 682528974 /nfs/dbraw/zinc/52/89/74/682528974.db2.gz BBPGWCRUJVFDLN-CQSZACIVSA-N 1 0 353.492 2.040 20 30 FEEDRO Cn1nc(Br)c2c1ncnc2N=NC1CCC[C@@H]([NH+](C)C)C1 ZINC000788426750 682529000 /nfs/dbraw/zinc/52/90/00/682529000.db2.gz ABAWLCSFNZEZED-SNVBAGLBSA-N 1 0 366.267 2.398 20 30 FEEDRO CCOC(=O)[C@@H]1[C@@H]([NH2+]CC2(CC#N)CC2)CCN1C(=O)OC(C)(C)C ZINC000788804975 682558006 /nfs/dbraw/zinc/55/80/06/682558006.db2.gz ZCNLSWWPWNCOHK-KBPBESRZSA-N 1 0 351.447 2.211 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cnc(C3(C)OCCO3)s2)CC1 ZINC000859250050 683064792 /nfs/dbraw/zinc/06/47/92/683064792.db2.gz DRBCHUJDXJIFQF-UHFFFAOYSA-N 1 0 351.472 2.133 20 30 FEEDRO C[C@@H]([NH2+]Cc1ccc(C#N)c(Cl)c1)C1CCN(S(C)(=O)=O)CC1 ZINC000926371516 683116635 /nfs/dbraw/zinc/11/66/35/683116635.db2.gz XINZPRARIJZURL-GFCCVEGCSA-N 1 0 355.891 2.361 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)[C@@H](O)c2cccc(C(F)(F)F)c2)CC1 ZINC000796602750 683176449 /nfs/dbraw/zinc/17/64/49/683176449.db2.gz OMHMVJPRJJEQLW-INIZCTEOSA-N 1 0 354.372 2.343 20 30 FEEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CC[C@@H](CC[NH3+])C1 ZINC000927886282 683333472 /nfs/dbraw/zinc/33/34/72/683333472.db2.gz MUYOKQIWUOXNKK-UONOGXRCSA-N 1 0 360.483 2.217 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)NCc2c(F)cccc2OC(F)F)CC1 ZINC000921105361 683397228 /nfs/dbraw/zinc/39/72/28/683397228.db2.gz QMUYZWRYKDPDKS-UHFFFAOYSA-N 1 0 355.360 2.324 20 30 FEEDRO C=CCN1CC[C@@H]([N@@H+](C)Cc2cc(Br)cc(OC)c2O)C1=O ZINC000798956988 683407990 /nfs/dbraw/zinc/40/79/90/683407990.db2.gz TUUCFUUSKUEZDB-CYBMUJFWSA-N 1 0 369.259 2.382 20 30 FEEDRO C=CCN1CC[C@H]([NH2+][C@@H](C)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1=O ZINC000799165687 683431516 /nfs/dbraw/zinc/43/15/16/683431516.db2.gz KOOKMMHZSQGWRS-JYJNAYRXSA-N 1 0 351.491 2.399 20 30 FEEDRO CC(C)(C)OC(=O)NC[C@@H]([NH2+]CC(=O)NC1(C#N)CCC1)C(C)(C)C ZINC000799202659 683436263 /nfs/dbraw/zinc/43/62/63/683436263.db2.gz XXCBGVYUKQUDBO-CYBMUJFWSA-N 1 0 352.479 2.078 20 30 FEEDRO C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C#N)C1CCCC1 ZINC000921554775 683500258 /nfs/dbraw/zinc/50/02/58/683500258.db2.gz OFEZQYUOJNBMMY-GJZGRUSLSA-N 1 0 352.479 2.030 20 30 FEEDRO C=CC[C@H](CO)[NH2+][C@H]1CCOC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000921993699 683633117 /nfs/dbraw/zinc/63/31/17/683633117.db2.gz JMZXWPSQQYLZAB-JKSUJKDBSA-N 1 0 354.491 2.462 20 30 FEEDRO C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(OCC(F)F)cc1 ZINC000922023387 683639198 /nfs/dbraw/zinc/63/91/98/683639198.db2.gz IUFFVXOLKCJPMF-UHFFFAOYSA-N 1 0 372.437 2.049 20 30 FEEDRO C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccccc1Br ZINC000922024024 683639519 /nfs/dbraw/zinc/63/95/19/683639519.db2.gz FRSRRTOOGVJMAL-UHFFFAOYSA-N 1 0 371.300 2.167 20 30 FEEDRO Cc1cc(C#N)cc(C)c1C[NH2+]Cc1ccc(S(=O)(=O)CCO)cc1 ZINC000922050792 683646703 /nfs/dbraw/zinc/64/67/03/683646703.db2.gz BZXXMRTWLBTOLF-UHFFFAOYSA-N 1 0 358.463 2.231 20 30 FEEDRO C#Cc1ccc(NC(=O)CC[N@H+](CCS(C)(=O)=O)C(C)(C)C)cc1 ZINC000929858325 683647436 /nfs/dbraw/zinc/64/74/36/683647436.db2.gz CTWHPORPXTWKFF-UHFFFAOYSA-N 1 0 350.484 2.142 20 30 FEEDRO CC(=NNC(=S)NCCC[NH+](C)C)c1cc(-c2ccccc2)n(C)n1 ZINC000863092733 683676699 /nfs/dbraw/zinc/67/66/99/683676699.db2.gz IKWAZOGMMYKBKP-UHFFFAOYSA-N 1 0 358.515 2.227 20 30 FEEDRO CNS(=O)(=O)c1ccc(CC[NH2+]Cc2c(C)cc(C#N)cc2C)cc1 ZINC000922319119 683697302 /nfs/dbraw/zinc/69/73/02/683697302.db2.gz XVXACXUGZJLRNW-UHFFFAOYSA-N 1 0 357.479 2.416 20 30 FEEDRO CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)NCC(C)(C)CCC#N)C2 ZINC000922486172 683733267 /nfs/dbraw/zinc/73/32/67/683733267.db2.gz PWTDKOGPVGDUNM-NNFUDEMPSA-N 1 0 350.507 2.095 20 30 FEEDRO C=CC[C@H]1CC[N@@H+](C[C@@H]2CC3(CN(C(=O)OC(C)(C)C)C3)C(=O)O2)C1 ZINC000931162396 683843617 /nfs/dbraw/zinc/84/36/17/683843617.db2.gz ABOHYMREJWHWNW-GJZGRUSLSA-N 1 0 350.459 2.437 20 30 FEEDRO C=C(Cl)C[C@H]1NC(=O)N(C[C@H](c2cccc(OC)c2)[NH+](C)C)C1=O ZINC000865297584 683963036 /nfs/dbraw/zinc/96/30/36/683963036.db2.gz YWHDXLDGXWWZBS-HUUCEWRRSA-N 1 0 351.834 2.361 20 30 FEEDRO CN(C)c1ccc(C#N)cc1C[NH2+]Cc1ccc(NS(C)(=O)=O)cc1 ZINC000865416314 683980789 /nfs/dbraw/zinc/98/07/89/683980789.db2.gz YAOQGNCHKCASNC-UHFFFAOYSA-N 1 0 358.467 2.286 20 30 FEEDRO CN1CC[NH+](C2CCN(c3cc(C(F)(F)F)cc(C#N)n3)CC2)CC1 ZINC000866211863 684083202 /nfs/dbraw/zinc/08/32/02/684083202.db2.gz NIGLIXHIMQEEIU-UHFFFAOYSA-N 1 0 353.392 2.188 20 30 FEEDRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@H]2Cc3ccc(C#N)cc3C2)cc1 ZINC000866614632 684126189 /nfs/dbraw/zinc/12/61/89/684126189.db2.gz KTPDFUIYAJVYJG-ACJLOTCBSA-N 1 0 355.463 2.284 20 30 FEEDRO C[C@@H]1CN(S(=O)(=O)c2cc(F)cc(C#N)c2)CC[N@@H+](C2CCC2)C1 ZINC000867299409 684240665 /nfs/dbraw/zinc/24/06/65/684240665.db2.gz SZBKFEFRMQIQJR-ZDUSSCGKSA-N 1 0 351.447 2.192 20 30 FEEDRO C=CCCSCCNC(=O)N[C@@H]1C[C@@]2(C[N@@H+](CC)[C@H]2C(C)C)C[C@H]1O ZINC000923226572 684245036 /nfs/dbraw/zinc/24/50/36/684245036.db2.gz CCALGIDRYDPJKX-VXNCWWDNSA-N 1 0 369.575 2.465 20 30 FEEDRO C=CCCSCCNC(=O)N[C@@H]1C[C@@]2(C[N@@H+](C)[C@@H]2C(C)C)C[C@H]1O ZINC000923228731 684245780 /nfs/dbraw/zinc/24/57/80/684245780.db2.gz WZIRAEVHDLBSBZ-KONPQCLYSA-N 1 0 355.548 2.075 20 30 FEEDRO COc1c(C)[nH]cc(C[N@H+](C)CCC(=O)Nc2sccc2C#N)c1=O ZINC000931322247 684261834 /nfs/dbraw/zinc/26/18/34/684261834.db2.gz PJWLRQRCNYWSEX-UHFFFAOYSA-N 1 0 360.439 2.086 20 30 FEEDRO C[NH+](C)CCCS(=O)(=O)Oc1c(F)cc(C#N)cc1Br ZINC000867550307 684311881 /nfs/dbraw/zinc/31/18/81/684311881.db2.gz YEBQUFGXSNYHCH-UHFFFAOYSA-N 1 0 365.224 2.120 20 30 FEEDRO COCCNS(=O)(=O)c1ccc(C[NH2+][C@@H](C)CC(C)(C)C#N)cc1 ZINC000924837386 684497896 /nfs/dbraw/zinc/49/78/96/684497896.db2.gz LZIJKJNQAHHSMW-AWEZNQCLSA-N 1 0 353.488 2.029 20 30 FEEDRO C=CC[C@H](C)NC(=O)NCC[NH+]1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000924881582 684502762 /nfs/dbraw/zinc/50/27/62/684502762.db2.gz LODYNGAYLZKRKV-AWEZNQCLSA-N 1 0 354.495 2.239 20 30 FEEDRO CC(C)(C)OC(=O)[C@H]1C[C@@H]([NH2+]CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000872227569 684929635 /nfs/dbraw/zinc/92/96/35/684929635.db2.gz MXNYVKCNZGNTBW-GASCZTMLSA-N 1 0 364.467 2.042 20 30 FEEDRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000872661965 684999934 /nfs/dbraw/zinc/99/99/34/684999934.db2.gz BAKAUZLFEMLOQH-UONOGXRCSA-N 1 0 373.400 2.434 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)N1CC[C@@]2(CCCN2C(=O)OC(C)(C)C)C1 ZINC000910581780 685080253 /nfs/dbraw/zinc/08/02/53/685080253.db2.gz RUVLZPHMAIXYKJ-IBGZPJMESA-N 1 0 351.491 2.496 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)Nc1cccc(C(=O)NCCCOCC)c1 ZINC000876588317 686225170 /nfs/dbraw/zinc/22/51/70/686225170.db2.gz DZGJPLADLTYCEA-HNNXBMFYSA-N 1 0 353.850 2.251 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NCC1(c2ccc(OC)cc2)CCOCC1 ZINC000876619238 686229907 /nfs/dbraw/zinc/22/99/07/686229907.db2.gz QZZCPWAAHVVVIW-INIZCTEOSA-N 1 0 352.862 2.330 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N1CCCN(C(=O)CCc2ccccc2)CC1 ZINC000876624664 686231299 /nfs/dbraw/zinc/23/12/99/686231299.db2.gz OVDXRGVRBZQSQT-KRWDZBQOSA-N 1 0 363.889 2.150 20 30 FEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1ccc(C(=O)NC2CCOCC2)cc1 ZINC000876691801 686244663 /nfs/dbraw/zinc/24/46/63/686244663.db2.gz QLPWIIVAIUGSRD-OAHLLOKOSA-N 1 0 351.834 2.004 20 30 FEEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)c1cc(Br)ccc1Br ZINC000876803867 686272303 /nfs/dbraw/zinc/27/23/03/686272303.db2.gz YLMPCHGRTMWVDN-CPCISQLKSA-N 1 0 373.048 2.053 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)Nc1ccc2nc(N3CCOCC3)oc2c1 ZINC000876939601 686298658 /nfs/dbraw/zinc/29/86/58/686298658.db2.gz IUPUHZJKEJFBII-LBPRGKRZSA-N 1 0 350.806 2.073 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N1CC(C)(c2nnc(-c3cccc(F)c3)o2)C1 ZINC000876983721 686304827 /nfs/dbraw/zinc/30/48/27/686304827.db2.gz UIQBTLKHUNSRHG-ZDUSSCGKSA-N 1 0 364.808 2.446 20 30 FEEDRO C=CCc1cc(C[NH2+]CC2CCS(=O)(=O)CC2)cc(OC)c1OC ZINC000877022447 686312485 /nfs/dbraw/zinc/31/24/85/686312485.db2.gz VBPDQONUZTZVIB-UHFFFAOYSA-N 1 0 353.484 2.347 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H]1CCN(c2ccc(Cl)cc2F)C1=O ZINC000877037908 686315953 /nfs/dbraw/zinc/31/59/53/686315953.db2.gz ZANMZYGHJZRIBM-NWDGAFQWSA-N 1 0 360.216 2.171 20 30 FEEDRO C=CCC[C@H](CO)[NH2+]Cc1cc(C2CN(C(=O)OC(C)(C)C)C2)no1 ZINC000877575195 686413835 /nfs/dbraw/zinc/41/38/35/686413835.db2.gz KAKHGEMAUABUKG-CQSZACIVSA-N 1 0 351.447 2.426 20 30 FEEDRO C[N@@H+]1CC[C@@H]2CN(CC(=O)[C@H](C#N)c3nc4ccccc4s3)CC[C@H]21 ZINC000879576339 686861196 /nfs/dbraw/zinc/86/11/96/686861196.db2.gz BLYQCJFVIFVDDR-IJEWVQPXSA-N 1 0 354.479 2.499 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H]2CC=CC[C@H]2C(F)(F)F)nc1 ZINC000879671261 686885287 /nfs/dbraw/zinc/88/52/87/686885287.db2.gz BETSCBDMXYHHFS-CHWSQXEVSA-N 1 0 359.373 2.214 20 30 FEEDRO COCC[N@H+](CC(=O)Nc1cc(Cl)ccc1C#N)C1CCOCC1 ZINC000879708451 686892577 /nfs/dbraw/zinc/89/25/77/686892577.db2.gz LFJIKXLBWUBPHB-UHFFFAOYSA-N 1 0 351.834 2.278 20 30 FEEDRO C#CCC1(O)CC[NH+](C[C@H](O)COc2ccc(Br)cc2)CC1 ZINC000880476760 687052494 /nfs/dbraw/zinc/05/24/94/687052494.db2.gz FOEAXPHWYNBPJE-HNNXBMFYSA-N 1 0 368.271 2.039 20 30 FEEDRO C[C@@H]1CN(C(=O)Nc2cc(C#N)c(F)cc2F)CC[N@@H+]1CC(C)(C)O ZINC000880713371 687077921 /nfs/dbraw/zinc/07/79/21/687077921.db2.gz MRQLAXRHYTWRIN-LLVKDONJSA-N 1 0 352.385 2.145 20 30 FEEDRO C[C@@H]1C[N@@H+](CCCNC(=O)Nc2cc(C#N)c(F)cc2F)C[C@H](C)O1 ZINC000880716713 687078279 /nfs/dbraw/zinc/07/82/79/687078279.db2.gz RLYJKRVEFXWSOW-TXEJJXNPSA-N 1 0 352.385 2.457 20 30 FEEDRO C[N@@H+]1CCC[C@H](CNC(=O)Nc2ccc(Br)c(C#N)n2)C1 ZINC000883087398 687560797 /nfs/dbraw/zinc/56/07/97/687560797.db2.gz VTYFWRHEJOORQW-SNVBAGLBSA-N 1 0 352.236 2.179 20 30 FEEDRO C[N@H+]1CC=C(CNC(=O)Nc2ccc(Br)c(C#N)n2)CC1 ZINC000883100576 687564972 /nfs/dbraw/zinc/56/49/72/687564972.db2.gz CCMOUVIRFGKWAC-UHFFFAOYSA-N 1 0 350.220 2.099 20 30 FEEDRO CCC1([NH3+])CCN(C(=O)C(=O)Nc2ccccc2SCCC#N)CC1 ZINC000883628325 687688463 /nfs/dbraw/zinc/68/84/63/687688463.db2.gz JBOCOEKHYZFTCW-UHFFFAOYSA-N 1 0 360.483 2.361 20 30 FEEDRO N#C[C@H]1C[NH2+]CC12CC(C(=O)NCc1ccccc1OC(F)(F)F)C2 ZINC000884062775 687782607 /nfs/dbraw/zinc/78/26/07/687782607.db2.gz ANXCCNJCQSMVQL-UYJPIKCFSA-N 1 0 353.344 2.341 20 30 FEEDRO CC(C)(Cc1ccc(Br)cc1)C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000884251277 687829392 /nfs/dbraw/zinc/82/93/92/687829392.db2.gz ZUYGGZFWBRSTDU-TZMCWYRMSA-N 1 0 350.260 2.246 20 30 FEEDRO C=C(Cl)C[C@@H](NC(=O)[C@H]([NH3+])Cc1cc2ccccc2o1)C(=O)OCC ZINC000884453253 687874298 /nfs/dbraw/zinc/87/42/98/687874298.db2.gz JWNGKJIPUTXDMI-HUUCEWRRSA-N 1 0 364.829 2.493 20 30 FEEDRO C#CC[N@@H+](CCCCS(C)(=O)=O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000886426311 688253414 /nfs/dbraw/zinc/25/34/14/688253414.db2.gz RULVFZGAZAVURZ-UHFFFAOYSA-N 1 0 372.531 2.146 20 30 FEEDRO C#CCN(C(=O)[C@H](O)c1ccccc1C(F)(F)F)C1CC[NH+](C)CC1 ZINC000886572746 688278192 /nfs/dbraw/zinc/27/81/92/688278192.db2.gz YPAPHVFMEDULTO-MRXNPFEDSA-N 1 0 354.372 2.295 20 30 FEEDRO C#CCN(C(=O)c1ccc(S(=O)(=O)C(C)C)cc1)C1CC[NH+](C)CC1 ZINC000886583345 688279673 /nfs/dbraw/zinc/27/96/73/688279673.db2.gz MJJIBPGSKSCDAB-UHFFFAOYSA-N 1 0 362.495 2.038 20 30 FEEDRO C=CCC1(O)CC[NH+](Cc2ccc(S(=O)(=O)NC3CC3)cc2)CC1 ZINC000886778529 688309310 /nfs/dbraw/zinc/30/93/10/688309310.db2.gz FYAQKKAJCXGTRZ-UHFFFAOYSA-N 1 0 350.484 2.030 20 30 FEEDRO N#Cc1cc(S(=O)(=O)N2CCCC[C@@]3(CC[NH2+]C3)C2)ccc1Cl ZINC000886899198 688336008 /nfs/dbraw/zinc/33/60/08/688336008.db2.gz DTYSGMSMTZHSMV-INIZCTEOSA-N 1 0 353.875 2.366 20 30 FEEDRO N#Cc1ccc(NC(=O)C(=O)N2CCCC[C@@]3(CC[NH2+]C3)C2)c(Cl)c1 ZINC000887039631 688360903 /nfs/dbraw/zinc/36/09/03/688360903.db2.gz OCTCILQMHOSSJQ-SFHVURJKSA-N 1 0 360.845 2.142 20 30 FEEDRO CN(Cc1cc(C#N)cs1)C(=O)[C@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000887965635 688527213 /nfs/dbraw/zinc/52/72/13/688527213.db2.gz KPXCWSMBEBCPDQ-DLBZAZTESA-N 1 0 357.483 2.047 20 30 FEEDRO O=C1[C@H]([NH2+]Cc2c[nH]nc2-c2ccc(Br)s2)CCCN1O ZINC000895157200 689668703 /nfs/dbraw/zinc/66/87/03/689668703.db2.gz MUGXGNDJJMXYSW-SECBINFHSA-N 1 0 371.260 2.371 20 30 FEEDRO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+][C@@H]1CCCN(O)C1=O ZINC000895163664 689669631 /nfs/dbraw/zinc/66/96/31/689669631.db2.gz XIYKDSUFAIQBBK-IUODEOHRSA-N 1 0 353.850 2.047 20 30 FEEDRO C#CCC1(O)CC[NH+](C[C@@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)CC1 ZINC000895669405 689752303 /nfs/dbraw/zinc/75/23/03/689752303.db2.gz BXWLOCYCBAKNKW-AWEZNQCLSA-N 1 0 358.429 2.481 20 30 FEEDRO CN1CCN(c2cc(Br)c(C#N)cc2F)CC[N@H+](C)CC1 ZINC000897095914 689974666 /nfs/dbraw/zinc/97/46/66/689974666.db2.gz WUTSXFOROFBJEJ-UHFFFAOYSA-N 1 0 355.255 2.143 20 30 FEEDRO C[C@@]1(NC(=O)NCc2nc(C#N)cs2)CC[N@H+](Cc2ccccc2)C1 ZINC000897269401 689997866 /nfs/dbraw/zinc/99/78/66/689997866.db2.gz DTCHAVNHVWBDKW-GOSISDBHSA-N 1 0 355.467 2.479 20 30 FEEDRO C[NH+](C)CCN(Cc1ccccc1F)C(=O)NCc1nc(C#N)cs1 ZINC000897298921 690002122 /nfs/dbraw/zinc/00/21/22/690002122.db2.gz NHQZONXKGQMJKT-UHFFFAOYSA-N 1 0 361.446 2.427 20 30 FEEDRO C#CCOc1ccccc1C[NH2+][C@H]1CCN(c2cn[nH]c(=O)c2Cl)C1 ZINC000898362638 690165524 /nfs/dbraw/zinc/16/55/24/690165524.db2.gz KBNZHBPYGQUXIF-AWEZNQCLSA-N 1 0 358.829 2.216 20 30 FEEDRO N#Cc1cnc(Cl)c(C[NH2+][C@H]2CCN(c3cn[nH]c(=O)c3Cl)C2)c1 ZINC000898369387 690168765 /nfs/dbraw/zinc/16/87/65/690168765.db2.gz WUACTYDBFYTAMT-NSHDSACASA-N 1 0 365.224 2.124 20 30 FEEDRO C[C@@H]1C[N@@H+](CCCNC(=O)C(F)(F)c2ccccc2C#N)C[C@H](C)O1 ZINC000900055479 690468047 /nfs/dbraw/zinc/46/80/47/690468047.db2.gz FKAQAHCHGZNEJA-OKILXGFUSA-N 1 0 351.397 2.266 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 ZINC000900267988 690492577 /nfs/dbraw/zinc/49/25/77/690492577.db2.gz LHVMLIPPPHKNQD-UHFFFAOYSA-N 1 0 364.877 2.420 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cnc(Br)n2CC)CC1 ZINC000900597897 690536605 /nfs/dbraw/zinc/53/66/05/690536605.db2.gz BIFIRKSKDSHMLJ-UHFFFAOYSA-N 1 0 355.280 2.436 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)[C@@H](O)c2ccccc2C(F)(F)F)CC1 ZINC000900797547 690563307 /nfs/dbraw/zinc/56/33/07/690563307.db2.gz GPSBAWOCRSVTEH-INIZCTEOSA-N 1 0 354.372 2.343 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000901264105 690630796 /nfs/dbraw/zinc/63/07/96/690630796.db2.gz WERQEDYBGTYDAP-HNNXBMFYSA-N 1 0 353.825 2.209 20 30 FEEDRO N#Cc1sc2ccccc2c1S(=O)(=O)N(CC[NH3+])CC(F)(F)F ZINC000903514570 690906397 /nfs/dbraw/zinc/90/63/97/690906397.db2.gz DDIIPJSCPQGCHN-UHFFFAOYSA-N 1 0 363.386 2.285 20 30 FEEDRO Cc1cc(C#N)cc(C)c1CS(=O)(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000903517082 690907544 /nfs/dbraw/zinc/90/75/44/690907544.db2.gz DNQCVLDUQZYZAB-UHFFFAOYSA-N 1 0 361.511 2.471 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@H]([NH3+])C2)cc1Cl ZINC000903577998 690927496 /nfs/dbraw/zinc/92/74/96/690927496.db2.gz AMQDPRRDSOTOHD-CMPLNLGQSA-N 1 0 367.780 2.112 20 30 FEEDRO N#Cc1cccc(CS(=O)(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)c1 ZINC000905360683 691108726 /nfs/dbraw/zinc/10/87/26/691108726.db2.gz URUPCYKHSLSZIZ-UHFFFAOYSA-N 1 0 359.495 2.131 20 30 FEEDRO CCS(=O)(=O)c1ccccc1CC[NH2+]C[C@H](O)c1ccc(C#N)cc1 ZINC000905562885 691141170 /nfs/dbraw/zinc/14/11/70/691141170.db2.gz ZUJVAUMEURVQLD-SFHVURJKSA-N 1 0 358.463 2.218 20 30 FEEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000906725134 691306871 /nfs/dbraw/zinc/30/68/71/691306871.db2.gz SVLJBOBLHRHHTE-SFDCQRBFSA-N 1 0 358.467 2.028 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2CCC(CCC[NH+]3CCCC3)CC2)nc1 ZINC000907066765 691386048 /nfs/dbraw/zinc/38/60/48/691386048.db2.gz NAOCXBDPBCSSDP-UHFFFAOYSA-N 1 0 362.499 2.230 20 30 FEEDRO C=C(C)Cn1c(-c2cnsn2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000909316902 691806142 /nfs/dbraw/zinc/80/61/42/691806142.db2.gz ODBWGXVEEZKMEW-CQSZACIVSA-N 1 0 359.503 2.437 20 30 FEEDRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4cc(C#N)cc(Cl)n4)C[C@@H]3C2)cn1 ZINC001164766552 721069522 /nfs/dbraw/zinc/06/95/22/721069522.db2.gz KUGYLIRIJBNNLI-CVEARBPZSA-N 1 0 356.861 2.298 20 30 FEEDRO N#Cc1c[nH]c2nc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)ccc12 ZINC001164866366 721099219 /nfs/dbraw/zinc/09/92/19/721099219.db2.gz STAWTYBLMWUONA-MSOLQXFVSA-N 1 0 374.448 2.309 20 30 FEEDRO COc1nc(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)ncc1C#N ZINC001164952594 722014730 /nfs/dbraw/zinc/01/47/30/722014730.db2.gz OEEVYOKZOCKYJT-UHFFFAOYSA-N 1 0 364.453 2.244 20 30 FEEDRO N#Cc1cc(F)cnc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164981558 722105329 /nfs/dbraw/zinc/10/53/29/722105329.db2.gz LSIOBGVRRSOFAP-APWZRJJASA-N 1 0 367.428 2.215 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@H](c2ccc(Cl)cc2)N(C)C)c1C#N ZINC000521643293 821319614 /nfs/dbraw/zinc/31/96/14/821319614.db2.gz BKJUWOAHFUDIHQ-INIZCTEOSA-N 1 0 374.876 2.328 20 30 FEEDRO C[N@@H+](Cc1ccc2c(c1)OCO2)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000025867993 539771276 /nfs/dbraw/zinc/77/12/76/539771276.db2.gz QSZKERPFYPFGCB-KRWDZBQOSA-N 1 0 354.406 2.353 20 30 FEEDRO CN(C)C(=O)C[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000025793943 539769623 /nfs/dbraw/zinc/76/96/23/539769623.db2.gz ZONHNBLQHBKIOK-UHFFFAOYSA-N 1 0 362.499 2.237 20 30 FEEDRO C=CCNC(=[NH2+])SCC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000029477860 539854021 /nfs/dbraw/zinc/85/40/21/539854021.db2.gz ZEVNPGLQCXYIQJ-AWEZNQCLSA-N 1 0 361.467 2.355 20 30 FEEDRO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000029832232 539865145 /nfs/dbraw/zinc/86/51/45/539865145.db2.gz RNLNZCYKFZXHKH-ZIAGYGMSSA-N 1 0 356.426 2.408 20 30 FEEDRO CC[NH+]1CCC(NC(=O)N2CCCN(c3ccccc3C#N)CC2)CC1 ZINC000043292151 540096648 /nfs/dbraw/zinc/09/66/48/540096648.db2.gz XHKDSXVPMGWVAO-UHFFFAOYSA-N 1 0 355.486 2.264 20 30 FEEDRO N#Cc1ccc(NC(=O)C[NH2+][C@H](C2CC2)[C@@]2(CO)CCCO2)cc1Cl ZINC000550502329 674098929 /nfs/dbraw/zinc/09/89/29/674098929.db2.gz HCJFQPDEHOAANR-MSOLQXFVSA-N 1 0 363.845 2.060 20 30 FEEDRO C[N@H+](CCC(=O)NC(=O)NCc1ccccc1)Cc1ccc(C#N)cc1 ZINC000046529100 540261334 /nfs/dbraw/zinc/26/13/34/540261334.db2.gz CUXHMPKMEZVITN-UHFFFAOYSA-N 1 0 350.422 2.406 20 30 FEEDRO N#CCCN(C(=O)C[N@@H+]1CCC[C@H](C(=O)NCC2CC2)C1)c1ccccc1 ZINC000047981393 540338488 /nfs/dbraw/zinc/33/84/88/540338488.db2.gz CTTIGZUUJUIPQY-SFHVURJKSA-N 1 0 368.481 2.171 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)CN1CCCCCCC1=O ZINC000048238892 540352921 /nfs/dbraw/zinc/35/29/21/540352921.db2.gz BQQJRNQHRRIGQK-UHFFFAOYSA-N 1 0 370.497 2.241 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)Nc2ccc(NC(=O)[C@H]3CCCO3)cc2)CC1 ZINC000050028978 540397724 /nfs/dbraw/zinc/39/77/24/540397724.db2.gz SYKNJOWGOAHPLO-GOSISDBHSA-N 1 0 355.438 2.088 20 30 FEEDRO C=CCN(CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1)Cc1cccs1 ZINC000050274457 540403378 /nfs/dbraw/zinc/40/33/78/540403378.db2.gz JHAQHLULLADGDL-QGZVFWFLSA-N 1 0 365.543 2.209 20 30 FEEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)NCc3cscn3)CC2)cc1 ZINC000051311577 540430291 /nfs/dbraw/zinc/43/02/91/540430291.db2.gz MVNBEYFYTVSOBH-UHFFFAOYSA-N 1 0 355.467 2.432 20 30 FEEDRO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000052929754 540500249 /nfs/dbraw/zinc/50/02/49/540500249.db2.gz HRQLXCHWRWNRJN-YOEHRIQHSA-N 1 0 354.454 2.123 20 30 FEEDRO C[NH+](C)CCOc1ccc(CNC(=O)COc2ccccc2C#N)cc1 ZINC000053992233 540562865 /nfs/dbraw/zinc/56/28/65/540562865.db2.gz YYQYXFXGUSIJLP-UHFFFAOYSA-N 1 0 353.422 2.194 20 30 FEEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000054851165 540615065 /nfs/dbraw/zinc/61/50/65/540615065.db2.gz OCICGPQCHCTEMI-OAHLLOKOSA-N 1 0 372.469 2.275 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)NCc2ccc(N3CCCCCC3)nc2)CC1 ZINC000057173099 540776109 /nfs/dbraw/zinc/77/61/09/540776109.db2.gz RRRSHRNVYZHFAD-UHFFFAOYSA-N 1 0 354.498 2.423 20 30 FEEDRO C[NH+](C)CCn1c2cc(NC(=O)c3cccc(C#N)c3)ccc2oc1=O ZINC000058737998 540854797 /nfs/dbraw/zinc/85/47/97/540854797.db2.gz WXFPYSLFVAMOSW-UHFFFAOYSA-N 1 0 350.378 2.280 20 30 FEEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000059890724 540866661 /nfs/dbraw/zinc/86/66/61/540866661.db2.gz HHLLHRGBOAPSHP-LHSJRXKWSA-N 1 0 372.513 2.423 20 30 FEEDRO COc1cc(/C=C/C(=O)N(CCC#N)CCC[NH+](C)C)ccc1OCC#N ZINC000064362060 541203277 /nfs/dbraw/zinc/20/32/77/541203277.db2.gz RSXRMEMSALJLFQ-VQHVLOKHSA-N 1 0 370.453 2.305 20 30 FEEDRO C[C@@H](CNC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CCC(C)CC1 ZINC000065601930 541247915 /nfs/dbraw/zinc/24/79/15/541247915.db2.gz CUVPKUJQZOLMBF-ZDUSSCGKSA-N 1 0 362.861 2.387 20 30 FEEDRO N#Cc1cccnc1N1CCC[N@@H+](C[C@H](O)c2ccc(F)cc2F)CC1 ZINC000066437873 541318202 /nfs/dbraw/zinc/31/82/02/541318202.db2.gz UYWXTRCCFUEHQZ-SFHVURJKSA-N 1 0 358.392 2.477 20 30 FEEDRO CCOc1ccc(C#N)cc1NC(=O)C(=O)NCCC[N@@H+]1CCCC[C@H]1C ZINC000067326508 541444831 /nfs/dbraw/zinc/44/48/31/541444831.db2.gz NFTBMVBJBDXJLW-OAHLLOKOSA-N 1 0 372.469 2.276 20 30 FEEDRO C=CCOc1cccc(NC(=O)C(=O)NCCC[NH+]2CCC(C)CC2)c1 ZINC000067326931 541445056 /nfs/dbraw/zinc/44/50/56/541445056.db2.gz PRNDAUFGZYSMPD-UHFFFAOYSA-N 1 0 359.470 2.428 20 30 FEEDRO CC1CC[NH+](C[C@@H](O)CNC(=O)Nc2cc(C#N)cn2C(C)(C)C)CC1 ZINC000067408830 541458973 /nfs/dbraw/zinc/45/89/73/541458973.db2.gz FCPLHYZKAWZSID-INIZCTEOSA-N 1 0 361.490 2.329 20 30 FEEDRO C=C(C)COc1cccc(NC(=O)C(=O)NCC[N@H+]2CCC[C@@H](C)C2)c1 ZINC000067497621 541472652 /nfs/dbraw/zinc/47/26/52/541472652.db2.gz RMYBOOZFWRMARS-MRXNPFEDSA-N 1 0 359.470 2.428 20 30 FEEDRO Cc1cc(CN2CC[NH+](CCC(=O)Nc3ccc(C#N)cc3)CC2)no1 ZINC000068370973 541583948 /nfs/dbraw/zinc/58/39/48/541583948.db2.gz HKWSSMGMBNKBGQ-UHFFFAOYSA-N 1 0 353.426 2.001 20 30 FEEDRO CC[NH+](CC)CCNC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000069378838 541681535 /nfs/dbraw/zinc/68/15/35/541681535.db2.gz BDZGAMHTNQYAHV-INIZCTEOSA-N 1 0 361.465 2.307 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)[C@H](CCC)NC(=O)Cc2ccccc2)CC1 ZINC000069703803 541706184 /nfs/dbraw/zinc/70/61/84/541706184.db2.gz JQPTUSKBWMCWFV-IBGZPJMESA-N 1 0 357.498 2.281 20 30 FEEDRO N#CCOc1ccc(/C=C/C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000069745163 541709739 /nfs/dbraw/zinc/70/97/39/541709739.db2.gz ANXBDCDTYWTFJV-MTCRFPMVSA-N 1 0 369.465 2.173 20 30 FEEDRO N#Cc1cccc(NC(=O)CC[N@@H+]2CCCC[C@H]2CN2CCOCC2)c1 ZINC000072631229 541841117 /nfs/dbraw/zinc/84/11/17/541841117.db2.gz XZUWJRHUOJWNQD-IBGZPJMESA-N 1 0 356.470 2.074 20 30 FEEDRO N#Cc1c2c(sc1NC(=O)CC[NH+]1CCC3(CNC(=O)C3)CC1)CCC2 ZINC000072697015 541853574 /nfs/dbraw/zinc/85/35/74/541853574.db2.gz ZGPKTIKASKMTPN-UHFFFAOYSA-N 1 0 372.494 2.039 20 30 FEEDRO O=C(CO/[NH+]=C/c1ccc(N2CCOCC2)cc1)NCc1ccccc1 ZINC000072809771 541870397 /nfs/dbraw/zinc/87/03/97/541870397.db2.gz PVFDYACVBGLLHY-PXLXIMEGSA-N 1 0 353.422 2.190 20 30 FEEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NCCC[NH+](C(C)C)C(C)C ZINC000074333956 542071777 /nfs/dbraw/zinc/07/17/77/542071777.db2.gz ZWYHWPSETIANKL-UHFFFAOYSA-N 1 0 360.502 2.421 20 30 FEEDRO C=CCN(CC1CCCCC1)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000074345616 542071929 /nfs/dbraw/zinc/07/19/29/542071929.db2.gz BSXOFJYBUBVOGV-SFHVURJKSA-N 1 0 364.534 2.352 20 30 FEEDRO CC(C)N(Cc1ccc(C#N)cc1)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000074655409 542107590 /nfs/dbraw/zinc/10/75/90/542107590.db2.gz KTMDSDITYBFQIK-SFHVURJKSA-N 1 0 371.529 2.362 20 30 FEEDRO CN(CC(=O)N[C@@](C)(C#N)C1CC1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076109772 542233950 /nfs/dbraw/zinc/23/39/50/542233950.db2.gz QJZFLFPQOUIYHE-RXVVDRJESA-N 1 0 354.498 2.249 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(Br)cc2)CC1 ZINC000076513092 542288367 /nfs/dbraw/zinc/28/83/67/542288367.db2.gz ZIYOOPVMPUHPFF-UHFFFAOYSA-N 1 0 366.259 2.154 20 30 FEEDRO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CC[NH+](CC2CC2)CC1 ZINC000077196208 542353401 /nfs/dbraw/zinc/35/34/01/542353401.db2.gz NDOVNSRBEAZWIH-INIZCTEOSA-N 1 0 358.461 2.488 20 30 FEEDRO N#Cc1nnc2ccccc2c1N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000077214067 542355484 /nfs/dbraw/zinc/35/54/84/542355484.db2.gz LDOLERHRBZRPEQ-UHFFFAOYSA-N 1 0 351.454 2.440 20 30 FEEDRO N#CCOc1cccc(NC(=O)N2CC[NH+](CC3CCOCC3)CC2)c1 ZINC000077273268 542360958 /nfs/dbraw/zinc/36/09/58/542360958.db2.gz UQBDLGYZIROEOX-UHFFFAOYSA-N 1 0 358.442 2.165 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(C(=O)N(C)OC)cc2)CC1 ZINC000077469005 542386041 /nfs/dbraw/zinc/38/60/41/542386041.db2.gz GISYWSFLBDBYNW-UHFFFAOYSA-N 1 0 360.458 2.482 20 30 FEEDRO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1CCC(C(=O)NC2CC2)CC1 ZINC000079214548 542506625 /nfs/dbraw/zinc/50/66/25/542506625.db2.gz FAPDIXAUPBSLME-TZQQIIETSA-N 1 0 374.529 2.296 20 30 FEEDRO CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCC(C(=O)Nc2ccc(C)cn2)CC1 ZINC000079895012 542548082 /nfs/dbraw/zinc/54/80/82/542548082.db2.gz QURJKFRUJIOPEX-INIZCTEOSA-N 1 0 371.485 2.049 20 30 FEEDRO COC1CC[NH+](CCNC(=O)c2cc(C3CC3)nc(SC)c2C#N)CC1 ZINC000080010159 542558138 /nfs/dbraw/zinc/55/81/38/542558138.db2.gz ZWEAGLLUWPAQFP-UHFFFAOYSA-N 1 0 374.510 2.393 20 30 FEEDRO C[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)NC1(C#N)CC[NH+](C)CC1 ZINC000080011844 542557710 /nfs/dbraw/zinc/55/77/10/542557710.db2.gz CIXORHNGRVSRCL-HNNXBMFYSA-N 1 0 370.497 2.207 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)Nc2cccn(Cc3ccc(F)cc3)c2=O)CC1 ZINC000088241732 542749058 /nfs/dbraw/zinc/74/90/58/542749058.db2.gz QOTRRZOEANZHPT-UHFFFAOYSA-N 1 0 367.424 2.319 20 30 FEEDRO COc1cc(C#N)ccc1OCC[NH+]1CCC([C@H](O)c2nccn2C)CC1 ZINC000089925624 542773718 /nfs/dbraw/zinc/77/37/18/542773718.db2.gz XEVFOOBXFCUARV-IBGZPJMESA-N 1 0 370.453 2.125 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N[C@H]2CCCN(c3ccccc3F)C2=O)CC1 ZINC000090561694 542786236 /nfs/dbraw/zinc/78/62/36/542786236.db2.gz OONNNGUUYFQABL-KRWDZBQOSA-N 1 0 374.460 2.271 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1cnc2c(C)cccn2c1=O)C(C)C ZINC000091053726 542792593 /nfs/dbraw/zinc/79/25/93/542792593.db2.gz ABFNUAIPWCLMRR-SFHVURJKSA-N 1 0 368.481 2.431 20 30 FEEDRO CC(C)[N@H+](C)CCNC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000092222418 542849621 /nfs/dbraw/zinc/84/96/21/542849621.db2.gz UDEOSHSAMCTASN-UHFFFAOYSA-N 1 0 359.474 2.283 20 30 FEEDRO CC[NH+](CC)CC(=O)N1CCN(Cc2ccc(N(C)CCC#N)cc2)CC1 ZINC000093045992 542904147 /nfs/dbraw/zinc/90/41/47/542904147.db2.gz VZPMCCBFCNZHSE-UHFFFAOYSA-N 1 0 371.529 2.022 20 30 FEEDRO COc1cc(F)cc(CNC(=[NH2+])NCCc2ccc(OC)c(OC)c2)c1 ZINC000093887225 542943849 /nfs/dbraw/zinc/94/38/49/542943849.db2.gz HYPLFFBMYPJQFH-UHFFFAOYSA-N 1 0 361.417 2.499 20 30 FEEDRO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCC(C(=O)Nc2cnn(CC)c2)CC1 ZINC000102398586 543068079 /nfs/dbraw/zinc/06/80/79/543068079.db2.gz QOCXLELIIAQZHR-INIZCTEOSA-N 1 0 373.501 2.143 20 30 FEEDRO C=CCN(CC=C)C(=O)[C@H](C)N1CCN(Cc2ccccc2OC)CC1 ZINC000102775013 543079934 /nfs/dbraw/zinc/07/99/34/543079934.db2.gz IMCDFZMIAPBIDD-SFHVURJKSA-N 1 0 357.498 2.402 20 30 FEEDRO N#CCCN(C(=O)C[N@H+]1CCCC[C@H]1CC(N)=O)c1cccc(Cl)c1 ZINC000103286788 543101132 /nfs/dbraw/zinc/10/11/32/543101132.db2.gz FLZWAXJBYXUCRA-HNNXBMFYSA-N 1 0 362.861 2.317 20 30 FEEDRO C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000104060658 543121195 /nfs/dbraw/zinc/12/11/95/543121195.db2.gz RHXMEFYYTDITEG-HUUCEWRRSA-N 1 0 362.449 2.350 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1ccc(-c2ccccc2)[nH]c1=O ZINC000104327059 543128126 /nfs/dbraw/zinc/12/81/26/543128126.db2.gz KYTSPYSAFJDJAO-UHFFFAOYSA-N 1 0 352.438 2.349 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)Cc2ccc(S(=O)(=O)CC)cc2)CC1 ZINC000106034349 543186256 /nfs/dbraw/zinc/18/62/56/543186256.db2.gz DWIWOGAMVMTGFV-UHFFFAOYSA-N 1 0 364.511 2.179 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(OC)c(Cl)c2)CC1 ZINC000106349375 543224722 /nfs/dbraw/zinc/22/47/22/543224722.db2.gz USYGPWNVBYZBDS-UHFFFAOYSA-N 1 0 365.861 2.444 20 30 FEEDRO CC[NH+]1CCN([C@H]2CCN(C(=O)CSCc3ccc(C#N)cc3)C2)CC1 ZINC000106798713 543247568 /nfs/dbraw/zinc/24/75/68/543247568.db2.gz GEDXITUGMITHGD-IBGZPJMESA-N 1 0 372.538 2.030 20 30 FEEDRO C=CCOc1ccc(C(=O)N2CC[C@H](N3CC[NH+](CC)CC3)C2)cc1OC ZINC000106808034 543249041 /nfs/dbraw/zinc/24/90/41/543249041.db2.gz PMZQMEAGUKGAGV-SFHVURJKSA-N 1 0 373.497 2.112 20 30 FEEDRO CC(C)C(=O)NC[C@H]1CCC[N@@H+]([C@@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000110264149 543353822 /nfs/dbraw/zinc/35/38/22/543353822.db2.gz XZGRICKVSRHWJZ-DLBZAZTESA-N 1 0 362.518 2.202 20 30 FEEDRO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC000110866701 543371088 /nfs/dbraw/zinc/37/10/88/543371088.db2.gz QEQUGNHSUNWSME-HXUWFJFHSA-N 1 0 372.513 2.058 20 30 FEEDRO CO/N=C/c1ccc(C(=O)NCC2([NH+]3CCCCC3)CCOCC2)cc1 ZINC000111101721 543381569 /nfs/dbraw/zinc/38/15/69/543381569.db2.gz RZODIGZZYPLNJC-PXLXIMEGSA-N 1 0 359.470 2.432 20 30 FEEDRO CC[C@H](C)[C@@H](C)[N@H+](CC(=O)N1CCN(c2oc(C)nc2C#N)CC1)C1CC1 ZINC000111226789 543386576 /nfs/dbraw/zinc/38/65/76/543386576.db2.gz LTUYIGSCOJAIOB-LSDHHAIUSA-N 1 0 373.501 2.402 20 30 FEEDRO C=CC1CC[NH+](CC(=O)NCc2ccccc2CN2CCCC2=O)CC1 ZINC000111257489 543389719 /nfs/dbraw/zinc/38/97/19/543389719.db2.gz ATCLDTZYACGMLE-UHFFFAOYSA-N 1 0 355.482 2.323 20 30 FEEDRO C=CC1CCN(C(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)CC1 ZINC000111488873 543403462 /nfs/dbraw/zinc/40/34/62/543403462.db2.gz ZFYGFWDNCXMYKH-UHFFFAOYSA-N 1 0 358.486 2.086 20 30 FEEDRO C[C@@H]([NH2+][C@@H](C)C(=O)N(C)CCC#N)c1ccc(NC(=O)NC2CC2)cc1 ZINC000112528643 543451023 /nfs/dbraw/zinc/45/10/23/543451023.db2.gz YONCGRWAPIHHHV-KGLIPLIRSA-N 1 0 357.458 2.382 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1sccc1-n1cnnn1)C(C)C ZINC000112919799 543468413 /nfs/dbraw/zinc/46/84/13/543468413.db2.gz PBGYYIQVSFIEGS-HNNXBMFYSA-N 1 0 360.487 2.152 20 30 FEEDRO CN(CC(=O)N[C@](C)(C#N)C1CC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000114480996 543520647 /nfs/dbraw/zinc/52/06/47/543520647.db2.gz OZTCNQOBYNUHNM-OAQYLSRUSA-N 1 0 354.498 2.391 20 30 FEEDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 ZINC000114598325 543525126 /nfs/dbraw/zinc/52/51/26/543525126.db2.gz VHSHDGAJDJGPGB-VQTJNVASSA-N 1 0 369.513 2.280 20 30 FEEDRO COCC[N@H+](C)CCNC(=O)c1cccc(COc2cccc(C#N)c2)c1 ZINC000115358051 543562021 /nfs/dbraw/zinc/56/20/21/543562021.db2.gz HCZUDVAGFXICCE-UHFFFAOYSA-N 1 0 367.449 2.445 20 30 FEEDRO C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CCC([N@H+](C)CCCO)CC1 ZINC000115547015 543573092 /nfs/dbraw/zinc/57/30/92/543573092.db2.gz RNSVAQSCHIHBHQ-SFHVURJKSA-N 1 0 372.513 2.100 20 30 FEEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)[C@@H](C)C1 ZINC000247469094 549338773 /nfs/dbraw/zinc/33/87/73/549338773.db2.gz RROQHEKLSZVDFB-KBXCAEBGSA-N 1 0 366.469 2.128 20 30 FEEDRO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000118096639 543644474 /nfs/dbraw/zinc/64/44/74/543644474.db2.gz QQCMHMLALBQTOD-GJZGRUSLSA-N 1 0 374.510 2.477 20 30 FEEDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000118127390 543647957 /nfs/dbraw/zinc/64/79/57/543647957.db2.gz DGVIQEHYTDXPTC-QGZVFWFLSA-N 1 0 356.470 2.417 20 30 FEEDRO COC(=O)[C@@H](C)CN(C)CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000120750330 543684332 /nfs/dbraw/zinc/68/43/32/543684332.db2.gz GQHNCGQWLKJBFA-ZDUSSCGKSA-N 1 0 351.834 2.328 20 30 FEEDRO N#CCCn1cc(C[NH2+]CC2CCS(=O)(=O)CC2)c(-c2ccccc2)n1 ZINC000120861380 543685587 /nfs/dbraw/zinc/68/55/87/543685587.db2.gz MYGNQTKWDUGGSO-UHFFFAOYSA-N 1 0 372.494 2.378 20 30 FEEDRO CCC[C@@H]1CN([C@@H](C)C(=O)NC2(C#N)CCCCC2)CC[N@@H+]1CCOC ZINC000121634623 543697960 /nfs/dbraw/zinc/69/79/60/543697960.db2.gz YIGIKQKEZNGZFB-ZWKOTPCHSA-N 1 0 364.534 2.150 20 30 FEEDRO C=C(C)C[N@@H+](CC)[C@H](C)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000120113772 543675341 /nfs/dbraw/zinc/67/53/41/543675341.db2.gz MDBMCOPUHCTMSJ-CQSZACIVSA-N 1 0 353.488 2.162 20 30 FEEDRO C=CCOc1cccc(NC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000120560886 543681448 /nfs/dbraw/zinc/68/14/48/543681448.db2.gz GRNBZAQDQCBWMP-QAPCUYQASA-N 1 0 357.454 2.133 20 30 FEEDRO Cc1c(Cl)cccc1NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C ZINC000122141339 543703634 /nfs/dbraw/zinc/70/36/34/543703634.db2.gz QUZDETCNKIDXCJ-UHFFFAOYSA-N 1 0 350.850 2.281 20 30 FEEDRO COc1ccc(CCNC(=[NH2+])N[C@H]2[C@@H]3Cc4ccccc4[C@@H]32)cc1OC ZINC000123769486 543782069 /nfs/dbraw/zinc/78/20/69/543782069.db2.gz RGWQYXROBFJQPY-UXPWSPDFSA-N 1 0 351.450 2.489 20 30 FEEDRO C=CCN1C(=O)c2ccc(C(=O)N(C)[C@@H]3CC[N@H+](C)[C@H](C)C3)cc2C1=O ZINC000123385322 543759138 /nfs/dbraw/zinc/75/91/38/543759138.db2.gz FNTHRCQUAPTXAL-UKRRQHHQSA-N 1 0 355.438 2.023 20 30 FEEDRO C[NH+](C)CCCC1CCN(CCS(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000123433839 543761991 /nfs/dbraw/zinc/76/19/91/543761991.db2.gz FWAARJYLVFBRDZ-UHFFFAOYSA-N 1 0 363.527 2.386 20 30 FEEDRO COCCN(Cc1ccc(C#N)cc1)C(=O)NCC[NH+]1CCC(C)CC1 ZINC000124731185 543839845 /nfs/dbraw/zinc/83/98/45/543839845.db2.gz PUAORKHIRYTKMI-UHFFFAOYSA-N 1 0 358.486 2.448 20 30 FEEDRO CCOC(=O)C1CCN(C(=O)[C@H](C)N(C)Cc2cccc(C#N)c2)CC1 ZINC000125228099 543868857 /nfs/dbraw/zinc/86/88/57/543868857.db2.gz MQLKRURWSMDSRY-HNNXBMFYSA-N 1 0 357.454 2.180 20 30 FEEDRO C[N@H+](CCCc1[nH]nc(N)c1C#N)CC(=O)Nc1cccc2c1N=S=N2 ZINC000125492684 543884387 /nfs/dbraw/zinc/88/43/87/543884387.db2.gz NCAGHSLNEQJBAV-UHFFFAOYSA-N 1 0 370.442 2.093 20 30 FEEDRO CN1CC[NH+]([C@H]2CCCCN(C(=O)Nc3ccc(CC#N)cc3)C2)CC1 ZINC000125420053 543880757 /nfs/dbraw/zinc/88/07/57/543880757.db2.gz NUAOTUSFOMNGDW-IBGZPJMESA-N 1 0 355.486 2.386 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)NCCCNC(=O)c2occc2C)CC1 ZINC000125977682 543911519 /nfs/dbraw/zinc/91/15/19/543911519.db2.gz MDVLUVOPRLPYEG-UHFFFAOYSA-N 1 0 362.474 2.048 20 30 FEEDRO C=CCCOCCNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000127170155 543976877 /nfs/dbraw/zinc/97/68/77/543976877.db2.gz MJJPVORJULMDBA-UHFFFAOYSA-N 1 0 356.470 2.368 20 30 FEEDRO C[C@@H]1C[C@H](NC(=O)N2CCN(c3ccccc3C#N)CC2)C[N@@H+]1C1CC1 ZINC000127325204 543986498 /nfs/dbraw/zinc/98/64/98/543986498.db2.gz DLOZLQIMTZKOLA-WBVHZDCISA-N 1 0 353.470 2.015 20 30 FEEDRO COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000127454718 543993709 /nfs/dbraw/zinc/99/37/09/543993709.db2.gz ZKQGUDBRNQDICN-QAPCUYQASA-N 1 0 356.470 2.341 20 30 FEEDRO C[C@@H]1C[C@H](NS(=O)(=O)c2cccc(C#N)c2)C[N@@H+]1Cc1ccccc1 ZINC000128125493 544033882 /nfs/dbraw/zinc/03/38/82/544033882.db2.gz OGTKRJLPHLGITE-QAPCUYQASA-N 1 0 355.463 2.500 20 30 FEEDRO CC[NH+]=C(NCCc1cc2ccccc2o1)N[C@@H]1CCc2ncnn2C1 ZINC000128558148 544059902 /nfs/dbraw/zinc/05/99/02/544059902.db2.gz TVWQUTKFYYHXHX-OAHLLOKOSA-N 1 0 352.442 2.137 20 30 FEEDRO C[C@@H]1CN(c2ccc(C(=O)N(CCC#N)CCC[NH+](C)C)cn2)C[C@H](C)O1 ZINC000129015777 544085915 /nfs/dbraw/zinc/08/59/15/544085915.db2.gz FMVGTBMNBLWECT-CALCHBBNSA-N 1 0 373.501 2.003 20 30 FEEDRO COc1cccc(CNC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)n1 ZINC000129291085 544103823 /nfs/dbraw/zinc/10/38/23/544103823.db2.gz OLSHTUUQCPGRSZ-UHFFFAOYSA-N 1 0 367.453 2.235 20 30 FEEDRO C[C@@H](c1ccc(F)cc1F)N1CC[NH+](CCC(=O)N(C)CCC#N)CC1 ZINC000131488506 544191973 /nfs/dbraw/zinc/19/19/73/544191973.db2.gz JLPWYBOBJFSZRK-HNNXBMFYSA-N 1 0 364.440 2.406 20 30 FEEDRO C#CCOc1ccc([C@H](C)[NH2+]Cc2cccc(S(=O)(=O)NC)c2)cc1 ZINC000131982140 544214201 /nfs/dbraw/zinc/21/42/01/544214201.db2.gz SGUCTQSTDNBTDN-HNNXBMFYSA-N 1 0 358.463 2.458 20 30 FEEDRO C=CC[C@@H](C)NC(=O)C(=O)Nc1cccc(N2CC[NH+](C(C)C)CC2)c1 ZINC000133453849 544270626 /nfs/dbraw/zinc/27/06/26/544270626.db2.gz UDOUVXBHJZAURJ-MRXNPFEDSA-N 1 0 358.486 2.236 20 30 FEEDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N2CCN(c3ccccc3C#N)CC2)C1 ZINC000133796449 544283807 /nfs/dbraw/zinc/28/38/07/544283807.db2.gz ODRRIWUCBKELCJ-SFHVURJKSA-N 1 0 369.513 2.368 20 30 FEEDRO N#Cc1ccc(CSCC(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)cc1 ZINC000136965351 544381890 /nfs/dbraw/zinc/38/18/90/544381890.db2.gz FTUZMARVSPXVFB-SFHVURJKSA-N 1 0 373.522 2.409 20 30 FEEDRO CC(C)[N@H+]1C[C@H](NC(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)[C@@H](C)C1 ZINC000150778640 544470261 /nfs/dbraw/zinc/47/02/61/544470261.db2.gz ANQSZKKXQITITQ-YOEHRIQHSA-N 1 0 356.470 2.271 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)c(F)c1 ZINC000151146500 544510045 /nfs/dbraw/zinc/51/00/45/544510045.db2.gz FQXLIQRFZKREKS-OAHLLOKOSA-N 1 0 351.447 2.336 20 30 FEEDRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2ccc(C(F)(F)F)cc2C#N)CC1 ZINC000151604250 544561545 /nfs/dbraw/zinc/56/15/45/544561545.db2.gz UDERPVMFBQIDPP-INIZCTEOSA-N 1 0 366.387 2.320 20 30 FEEDRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000151620939 544563245 /nfs/dbraw/zinc/56/32/45/544563245.db2.gz TUTXRCGCBUGLBJ-INIZCTEOSA-N 1 0 366.387 2.320 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2cn(C)nc2C(F)(F)F)CC1 ZINC000151784743 544579513 /nfs/dbraw/zinc/57/95/13/544579513.db2.gz FNOCQFXCGLBZTP-UHFFFAOYSA-N 1 0 359.396 2.279 20 30 FEEDRO C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2cccc(OCCCC#N)c2)C[N@@H+]1C1CC1 ZINC000151794533 544581352 /nfs/dbraw/zinc/58/13/52/544581352.db2.gz ALOYNEDUMLPWRP-GDBMZVCRSA-N 1 0 370.453 2.049 20 30 FEEDRO C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccccc2SCCC#N)C[N@@H+]1C1CC1 ZINC000151867010 544590274 /nfs/dbraw/zinc/59/02/74/544590274.db2.gz WSKNANWDTFBUAX-ZIAGYGMSSA-N 1 0 372.494 2.372 20 30 FEEDRO C=C(C)COc1cccc(NC(=O)C(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)c1 ZINC000151919144 544596043 /nfs/dbraw/zinc/59/60/43/544596043.db2.gz LGZDEVHOHPRUDE-GOEBONIOSA-N 1 0 357.454 2.321 20 30 FEEDRO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NCCCC[N@@H+]1CCC[C@@H]1CO ZINC000152196894 544623601 /nfs/dbraw/zinc/62/36/01/544623601.db2.gz RKMPQDZFVLUDTR-UYAOXDASSA-N 1 0 373.497 2.315 20 30 FEEDRO CCO[C@@H]1C[C@H](O)C12CC[NH+](CCC(=O)Nc1ccccc1C#N)CC2 ZINC000152907791 544709946 /nfs/dbraw/zinc/70/99/46/544709946.db2.gz WTQMJVUCTUUXOZ-ZWKOTPCHSA-N 1 0 357.454 2.139 20 30 FEEDRO C[C@@H](CNC(=O)[C@H](C)[N@H+](C)CCCc1[nH]nc(N)c1C#N)c1ccccc1 ZINC000153291216 544757642 /nfs/dbraw/zinc/75/76/42/544757642.db2.gz DZEYCEJDUYQDAD-GJZGRUSLSA-N 1 0 368.485 2.036 20 30 FEEDRO CCC[N@H+](C)[C@H](CNC(=O)Cn1cnc(C#N)n1)c1ccc(Cl)cc1 ZINC000553027406 674234159 /nfs/dbraw/zinc/23/41/59/674234159.db2.gz YPNZOGXMPFDLPG-OAHLLOKOSA-N 1 0 360.849 2.002 20 30 FEEDRO C[C@H]1CN(c2c(C#N)cnc3c(F)c(F)c(F)cc32)CC[N@@H+]1CCO ZINC000553540388 674269244 /nfs/dbraw/zinc/26/92/44/674269244.db2.gz LXGRTBZGFDQIPW-JTQLQIEISA-N 1 0 350.344 2.027 20 30 FEEDRO COCCOc1ccc(C#N)cc1NC(=O)N1CC[NH+](CC(C)C)CC1 ZINC000184604309 327875178 /nfs/dbraw/zinc/87/51/78/327875178.db2.gz PADAXZIJMHGZAO-UHFFFAOYSA-N 1 0 360.458 2.389 20 30 FEEDRO CN(C(=O)c1ccc(C#N)c(O)c1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000187787655 328046126 /nfs/dbraw/zinc/04/61/26/328046126.db2.gz RPURKKQSFUPIGY-UHFFFAOYSA-N 1 0 364.449 2.438 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1C[C@H]2OCCC[C@H]12 ZINC000188595359 328097493 /nfs/dbraw/zinc/09/74/93/328097493.db2.gz UWRAFTXDIKWLAZ-GUDVDZBRSA-N 1 0 356.470 2.199 20 30 FEEDRO Cc1nc(C#N)c(N2CCC(C(=O)NCC[N@@H+](C)C3CCCC3)CC2)o1 ZINC000188928617 328118401 /nfs/dbraw/zinc/11/84/01/328118401.db2.gz MICBEIISAPUHFQ-UHFFFAOYSA-N 1 0 359.474 2.062 20 30 FEEDRO COC[C@H]1C[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@H](C)O1 ZINC000189415403 328146826 /nfs/dbraw/zinc/14/68/26/328146826.db2.gz SICLGDUTRWGKBA-SWLSCSKDSA-N 1 0 351.834 2.276 20 30 FEEDRO CCO[C@H]1C[C@@](CO)([NH2+]CCC(=O)Nc2sccc2C#N)C1(C)C ZINC000189996950 328181332 /nfs/dbraw/zinc/18/13/32/328181332.db2.gz HIRZPFZFFONRAB-GUYCJALGSA-N 1 0 351.472 2.104 20 30 FEEDRO COc1cccc(CN(CC[NH+](C)C)S(=O)(=O)c2ccccc2C#N)c1 ZINC000190495431 328211342 /nfs/dbraw/zinc/21/13/42/328211342.db2.gz BVWXDIKFHDRGJS-UHFFFAOYSA-N 1 0 373.478 2.319 20 30 FEEDRO C[C@@H]1CN(C(=O)c2ccc(C[NH2+]Cc3cc(C#N)n(C)c3)cc2)C[C@@H](C)O1 ZINC000190872808 328237688 /nfs/dbraw/zinc/23/76/88/328237688.db2.gz IHZFBWXEMWVDKK-HZPDHXFCSA-N 1 0 366.465 2.436 20 30 FEEDRO Cn1cc(C[NH+]2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)cc1C#N ZINC000191191801 328253420 /nfs/dbraw/zinc/25/34/20/328253420.db2.gz YXALSDQJZBMTBD-UHFFFAOYSA-N 1 0 366.421 2.476 20 30 FEEDRO CC(=O)Nc1ccc(C[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 ZINC000192244014 328308722 /nfs/dbraw/zinc/30/87/22/328308722.db2.gz ILYMJRYGFJVIMH-HXUWFJFHSA-N 1 0 362.433 2.407 20 30 FEEDRO N#Cc1ccccc1S(=O)(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000192988048 328350850 /nfs/dbraw/zinc/35/08/50/328350850.db2.gz XHSZCJXUGARDGR-QGZVFWFLSA-N 1 0 355.463 2.359 20 30 FEEDRO CN(CC(=O)OC(C)(C)C)[C@@H]1C[N@H+](CCCCC(C)(C)C#N)C[C@H]1O ZINC000553896173 674292881 /nfs/dbraw/zinc/29/28/81/674292881.db2.gz SLLCCEBBJWAHPE-HZPDHXFCSA-N 1 0 353.507 2.025 20 30 FEEDRO CN(CC[NH+](C)C)C(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000080391071 325130010 /nfs/dbraw/zinc/13/00/10/325130010.db2.gz UULMWRNJHANADB-UHFFFAOYSA-N 1 0 371.441 2.043 20 30 FEEDRO C[C@H]1CCCN(S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)[C@@H]1C[NH3+] ZINC000237507883 328518342 /nfs/dbraw/zinc/51/83/42/328518342.db2.gz KJTNBYGCNMTEQL-IINYFYTJSA-N 1 0 361.389 2.325 20 30 FEEDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)C1 ZINC000081364151 325172315 /nfs/dbraw/zinc/17/23/15/325172315.db2.gz ZGXZLYNATRXSDD-HNNXBMFYSA-N 1 0 366.469 2.130 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2cccc(NC(=O)C3CC3)c2)c1C#N ZINC000089663028 325326206 /nfs/dbraw/zinc/32/62/06/325326206.db2.gz BKXOEZHFSOTEEK-UHFFFAOYSA-N 1 0 366.425 2.034 20 30 FEEDRO CCN(C)[C@H](C(=O)Nc1n[nH]c(CCC[NH2+]C)c1C#N)c1ccccc1 ZINC000089676156 325326806 /nfs/dbraw/zinc/32/68/06/325326806.db2.gz YKEAYSZPLPEGCW-KRWDZBQOSA-N 1 0 354.458 2.065 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@H]2C[C@@H]2c2cc(F)ccc2F)c1C#N ZINC000089675022 325326897 /nfs/dbraw/zinc/32/68/97/325326897.db2.gz YYUKHSWZOHMSHS-YPMHNXCESA-N 1 0 359.380 2.454 20 30 FEEDRO C[N@H+](CCCc1[nH]nc(N)c1C#N)[C@H]1CCCN(c2cccc(F)c2)C1=O ZINC000089942681 325344045 /nfs/dbraw/zinc/34/40/45/325344045.db2.gz VAEUYPWNDOCISS-KRWDZBQOSA-N 1 0 370.432 2.063 20 30 FEEDRO CN1CC[NH+]([C@@H]2CCCCN(C(=O)/C=C/c3cccc(C#N)c3)C2)CC1 ZINC000091688251 325390181 /nfs/dbraw/zinc/39/01/81/325390181.db2.gz OSWSHLFMAZVFFA-NDDJGDGRSA-N 1 0 352.482 2.200 20 30 FEEDRO Cn1ccnc1CC1CC[NH+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000106164623 325587471 /nfs/dbraw/zinc/58/74/71/325587471.db2.gz PQXCMWUFZBTYEQ-IBGZPJMESA-N 1 0 363.465 2.352 20 30 FEEDRO C[C@H](Oc1ccccc1C#N)C(=O)NCC1([NH+]2CCCCC2)CCOCC1 ZINC000111101925 325700841 /nfs/dbraw/zinc/70/08/41/325700841.db2.gz UHFVDZLMFZCVKI-KRWDZBQOSA-N 1 0 371.481 2.477 20 30 FEEDRO CN1CCC([NH+]2CCC(NC(=O)Nc3ccc(F)c(C#N)c3)CC2)CC1 ZINC000120092524 326229966 /nfs/dbraw/zinc/22/99/66/326229966.db2.gz GRBDQLODZDSNEP-UHFFFAOYSA-N 1 0 359.449 2.377 20 30 FEEDRO N#Cc1cc(F)ccc1S(=O)(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000122464735 326397891 /nfs/dbraw/zinc/39/78/91/326397891.db2.gz MMMWXIQUZWSANF-AWEZNQCLSA-N 1 0 351.447 2.194 20 30 FEEDRO COC(=O)c1ccc(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)o1 ZINC000127072942 326499793 /nfs/dbraw/zinc/49/97/93/326499793.db2.gz MZCFVKSDHLWBIT-UHFFFAOYSA-N 1 0 355.394 2.142 20 30 FEEDRO C[NH+](C)CCOc1cc(CNC(=O)Nc2ccc(F)c(C#N)c2)ccn1 ZINC000129610440 326543456 /nfs/dbraw/zinc/54/34/56/326543456.db2.gz XFWFXEKKLMMPFJ-UHFFFAOYSA-N 1 0 357.389 2.354 20 30 FEEDRO CSc1[n-]c(=O)c(C(=O)N(CC[NH+](C)C)Cc2ccccc2)cc1C#N ZINC000161704267 327006953 /nfs/dbraw/zinc/00/69/53/327006953.db2.gz XTSHQQAFWUURRX-UHFFFAOYSA-N 1 0 370.478 2.172 20 30 FEEDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NS(=O)(=O)c1ccc(C#N)cc1F ZINC000162349560 327023219 /nfs/dbraw/zinc/02/32/19/327023219.db2.gz RVQCKMLAOWZIBZ-KSSFIOAISA-N 1 0 373.453 2.496 20 30 FEEDRO CC(C)CN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(OC(C)C)c(C#N)c1 ZINC000162774636 327034480 /nfs/dbraw/zinc/03/44/80/327034480.db2.gz JJVKEYUBNQIMPZ-UHFFFAOYSA-N 1 0 374.485 2.330 20 30 FEEDRO CC[NH+](CC)[C@@H](CNS(=O)(=O)c1ccc(C#N)nc1)c1ccccc1 ZINC000170656381 327091305 /nfs/dbraw/zinc/09/13/05/327091305.db2.gz RFUMMNIIEPXPPJ-SFHVURJKSA-N 1 0 358.467 2.315 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)cn1 ZINC000170658643 327091606 /nfs/dbraw/zinc/09/16/06/327091606.db2.gz UJXXTIKHKAGJTR-GOSISDBHSA-N 1 0 356.451 2.069 20 30 FEEDRO CCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000172207960 327187402 /nfs/dbraw/zinc/18/74/02/327187402.db2.gz ZAWOYPYSUWYJRM-KRWDZBQOSA-N 1 0 374.485 2.378 20 30 FEEDRO CN1CCC(CNC(=O)COc2ccccc2C#N)([NH+]2CCCCC2)CC1 ZINC000172751041 327216976 /nfs/dbraw/zinc/21/69/76/327216976.db2.gz FBTFGADWMMWYHZ-UHFFFAOYSA-N 1 0 370.497 2.004 20 30 FEEDRO CCc1nsc(N2CCCN(CC(=O)Nc3ccc(C#N)cc3)CC2)n1 ZINC000174046311 327303754 /nfs/dbraw/zinc/30/37/54/327303754.db2.gz WGNBBFDYFAESAK-UHFFFAOYSA-N 1 0 370.482 2.123 20 30 FEEDRO Cc1nsc(N2CCC[N@H+](CCC(=O)Nc3cccc(C#N)c3)CC2)n1 ZINC000174801609 327352143 /nfs/dbraw/zinc/35/21/43/327352143.db2.gz BNHQBSGTRXOWQK-UHFFFAOYSA-N 1 0 370.482 2.259 20 30 FEEDRO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccc(F)cc1C#N)c1ccccc1 ZINC000175938446 327422966 /nfs/dbraw/zinc/42/29/66/327422966.db2.gz LEADAXZHXRSENT-QGZVFWFLSA-N 1 0 354.385 2.055 20 30 FEEDRO N#Cc1cc(F)ccc1NC(=O)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000176007509 327427899 /nfs/dbraw/zinc/42/78/99/327427899.db2.gz OPBRYYBDLUHIRQ-UHFFFAOYSA-N 1 0 358.417 2.159 20 30 FEEDRO C[C@](CO)([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)C1CCCCC1 ZINC000177026645 327491661 /nfs/dbraw/zinc/49/16/61/327491661.db2.gz FPFMTFOOTKWEMQ-GOSISDBHSA-N 1 0 350.484 2.253 20 30 FEEDRO Cc1c(C#N)cccc1NC(=O)C(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000178447116 327585785 /nfs/dbraw/zinc/58/57/85/327585785.db2.gz LXVOIGOQKIYAMZ-VLIAUNLRSA-N 1 0 356.470 2.432 20 30 FEEDRO COc1ccc(C#N)cc1NC(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000264238106 329003561 /nfs/dbraw/zinc/00/35/61/329003561.db2.gz MMAYBGOWHHNSDV-UHFFFAOYSA-N 1 0 358.442 2.333 20 30 FEEDRO CCNC(=O)c1ccc(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)nc1 ZINC000264864459 329068819 /nfs/dbraw/zinc/06/88/19/329068819.db2.gz LIEAKLAMPVWHIJ-UHFFFAOYSA-N 1 0 363.465 2.415 20 30 FEEDRO CCOC(=O)N1CCC(NC(=O)CCC[NH2+]Cc2ccc(C#N)cc2)CC1 ZINC000264998045 329082049 /nfs/dbraw/zinc/08/20/49/329082049.db2.gz YVOFTBMKIHSPDD-UHFFFAOYSA-N 1 0 372.469 2.165 20 30 FEEDRO C[NH+](C)CC[C@H](NC(=O)N1CCN(c2cc(C#N)ccn2)CC1)C(C)(C)C ZINC000265229329 329104791 /nfs/dbraw/zinc/10/47/91/329104791.db2.gz DBPTVXGZFATODL-KRWDZBQOSA-N 1 0 372.517 2.151 20 30 FEEDRO N#Cc1cc(F)c(S(=O)(=O)N2CCC([NH+]3CCCCC3)CC2)c(F)c1 ZINC000268209991 329397232 /nfs/dbraw/zinc/39/72/32/329397232.db2.gz SZXUDRQLEILZJS-UHFFFAOYSA-N 1 0 369.437 2.475 20 30 FEEDRO CCc1nnc(Sc2nnc(C3CC[NH2+]CC3)n2C)c(C#N)c1CC ZINC000268250692 329401446 /nfs/dbraw/zinc/40/14/46/329401446.db2.gz ZKNZGXXENMAQSM-UHFFFAOYSA-N 1 0 357.487 2.220 20 30 FEEDRO N#Cc1ccc(C[NH2+]C2CCN(S(=O)(=O)C(F)(F)F)CC2)c(F)c1 ZINC000269416961 329517584 /nfs/dbraw/zinc/51/75/84/329517584.db2.gz KOTSYFMSCVZVLN-UHFFFAOYSA-N 1 0 365.352 2.101 20 30 FEEDRO COCC[NH+](CCOC)C1CCN(c2cc(C(C)=O)ccc2C#N)CC1 ZINC000286415272 330182685 /nfs/dbraw/zinc/18/26/85/330182685.db2.gz PJJVAMMZCGQAMT-UHFFFAOYSA-N 1 0 359.470 2.324 20 30 FEEDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@@H]3CCN(c4ccc(C#N)cc4F)C3)CC[C@@H]21 ZINC000286427316 330184310 /nfs/dbraw/zinc/18/43/10/330184310.db2.gz BLXVYNDVRREOCB-LMMKCTJWSA-N 1 0 370.472 2.466 20 30 FEEDRO N#Cc1cnn(-c2ccccc2)c1NC(=O)CN1CC[C@@]2(C1)CCCOC2 ZINC000367068194 330213424 /nfs/dbraw/zinc/21/34/24/330213424.db2.gz PUQHZGOJBGYHSM-HXUWFJFHSA-N 1 0 365.437 2.185 20 30 FEEDRO N#Cc1ccc(OCC(=O)NC2CC[NH+](CC3(O)CCCCC3)CC2)cc1 ZINC000371451627 330243059 /nfs/dbraw/zinc/24/30/59/330243059.db2.gz SIORWEMQFBFZSE-UHFFFAOYSA-N 1 0 371.481 2.213 20 30 FEEDRO C=C(C)CN(CC)C(=O)C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000554165410 674306349 /nfs/dbraw/zinc/30/63/49/674306349.db2.gz DTWAWZIFRCLEAQ-UHFFFAOYSA-N 1 0 367.559 2.279 20 30 FEEDRO Cc1cccc(NC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1C#N ZINC000155965621 545587370 /nfs/dbraw/zinc/58/73/70/545587370.db2.gz ZDUPIEPMVFNXMC-BEFAXECRSA-N 1 0 366.465 2.281 20 30 FEEDRO CC(=O)N1CC[C@@H](C[N@@H+](C)[C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1 ZINC000156358522 545621512 /nfs/dbraw/zinc/62/15/12/545621512.db2.gz CFTLPDXSNCUGMX-WBVHZDCISA-N 1 0 374.460 2.261 20 30 FEEDRO C=CCc1ccc(OC[C@H](O)C[NH+]2CCC(n3cncn3)CC2)c(OC)c1 ZINC000156647210 545641731 /nfs/dbraw/zinc/64/17/31/545641731.db2.gz SAIFOAKPCSAWSQ-GOSISDBHSA-N 1 0 372.469 2.092 20 30 FEEDRO N#Cc1ccccc1S(=O)(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000157204101 545713880 /nfs/dbraw/zinc/71/38/80/545713880.db2.gz YXZXUJYZSIWLJR-SFHVURJKSA-N 1 0 369.490 2.401 20 30 FEEDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000157356793 545730898 /nfs/dbraw/zinc/73/08/98/545730898.db2.gz NIMKMTKNHZVBIO-CJNGLKHVSA-N 1 0 360.845 2.093 20 30 FEEDRO C[NH+]=C(NCc1nc(C)cs1)N[C@@H]1CCN(c2ccccc2OC)C1 ZINC000158695232 545885630 /nfs/dbraw/zinc/88/56/30/545885630.db2.gz KWGOBTYASBQMCX-CQSZACIVSA-N 1 0 359.499 2.404 20 30 FEEDRO Cn1cc(C#N)cc1C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cn1 ZINC000478320559 561164269 /nfs/dbraw/zinc/16/42/69/561164269.db2.gz BXDFBPDXADPTCL-UHFFFAOYSA-N 1 0 352.442 2.074 20 30 FEEDRO C=CCN1C(=O)c2ccc(C(=O)NC[C@H](C)[N@@H+]3CCC[C@@H](C)C3)cc2C1=O ZINC000478528567 561169007 /nfs/dbraw/zinc/16/90/07/561169007.db2.gz JXIAHUZXQVKZCO-CABCVRRESA-N 1 0 369.465 2.319 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)NC[C@H](CO)Cc2ccc(F)c(F)c2)CC1 ZINC000478615545 561171164 /nfs/dbraw/zinc/17/11/64/561171164.db2.gz MUEYPHJWMDGEOZ-OAHLLOKOSA-N 1 0 367.440 2.065 20 30 FEEDRO Cc1ccc(NC(=[NH2+])NCCNS(=O)(=O)c2cccs2)cc1C ZINC000160493701 546046246 /nfs/dbraw/zinc/04/62/46/546046246.db2.gz POZXOZWFDAMOKF-UHFFFAOYSA-N 1 0 352.485 2.070 20 30 FEEDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1ccc(OC(C)C)c(C#N)c1 ZINC000161264362 546115466 /nfs/dbraw/zinc/11/54/66/546115466.db2.gz DSZJTEOOTSJWRA-QGZVFWFLSA-N 1 0 372.469 2.275 20 30 FEEDRO N#CC1(CS(=O)(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000165237988 546152073 /nfs/dbraw/zinc/15/20/73/546152073.db2.gz KDHSSGRYOQUMJA-AYHJJNSGSA-N 1 0 359.495 2.405 20 30 FEEDRO C[N@@H+]1CCC[C@@H](CNS(=O)(=O)CC2(C#N)CC2)[C@@H]1c1cccs1 ZINC000165670776 546153326 /nfs/dbraw/zinc/15/33/26/546153326.db2.gz FZHIIRVBKZILJT-DZGCQCFKSA-N 1 0 353.513 2.354 20 30 FEEDRO COc1ccc(CCNC(=[NH2+])NCCc2nc3ccccc3[nH]2)cc1OC ZINC000170908313 546181375 /nfs/dbraw/zinc/18/13/75/546181375.db2.gz ZABKSWNMJSLRMZ-UHFFFAOYSA-N 1 0 367.453 2.270 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCN(c2cccnn2)CC1)C(C)C ZINC000171011089 546185776 /nfs/dbraw/zinc/18/57/76/546185776.db2.gz RHKQWIVOZIRBJF-SFHVURJKSA-N 1 0 372.517 2.007 20 30 FEEDRO C=CCOc1ccc(C(=O)NC2CC[NH+](CCCOC)CC2)cc1OC ZINC000171125322 546191873 /nfs/dbraw/zinc/19/18/73/546191873.db2.gz NLLUWGMOSQYXBA-UHFFFAOYSA-N 1 0 362.470 2.491 20 30 FEEDRO CN(CC1CC[NH+](C)CC1)C(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000171468432 546210796 /nfs/dbraw/zinc/21/07/96/546210796.db2.gz YJXRTIAPUJNPFK-UHFFFAOYSA-N 1 0 356.470 2.226 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)NCCc2ccc(-n3cccn3)cc2)CC1 ZINC000171706603 546219563 /nfs/dbraw/zinc/21/95/63/546219563.db2.gz RSSMECXMTGUAIE-UHFFFAOYSA-N 1 0 353.470 2.364 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)NCCc2cc(F)cc3c2OCOC3)CC1 ZINC000171716742 546220073 /nfs/dbraw/zinc/22/00/73/546220073.db2.gz LYUVYFQEDPUDHC-UHFFFAOYSA-N 1 0 363.433 2.184 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3F)C2)CC1 ZINC000171719878 546220391 /nfs/dbraw/zinc/22/03/91/546220391.db2.gz VQWJTAAKFBOAFH-ZDUSSCGKSA-N 1 0 363.408 2.084 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N2CCN(c3cccc(OC)c3)CC2)CC1 ZINC000171738022 546223701 /nfs/dbraw/zinc/22/37/01/546223701.db2.gz XMPVTIBVUDDVLE-UHFFFAOYSA-N 1 0 358.486 2.177 20 30 FEEDRO C=CCN1CCC([NH2+]Cc2ccccc2OCC(=O)NCC2CC2)CC1 ZINC000172065084 546235534 /nfs/dbraw/zinc/23/55/34/546235534.db2.gz GRCNPTXBOJFSMO-UHFFFAOYSA-N 1 0 357.498 2.332 20 30 FEEDRO C=CCOc1ccc(/C=C/C(=O)NCCC[NH+]2CCC(O)CC2)cc1OC ZINC000172313020 546246464 /nfs/dbraw/zinc/24/64/64/546246464.db2.gz AJELGQWPXNNJMZ-SOFGYWHQSA-N 1 0 374.481 2.236 20 30 FEEDRO C=CCOc1cccc(NC(=O)C(=O)NCCC2CC[NH+](CC)CC2)c1 ZINC000173195340 546275682 /nfs/dbraw/zinc/27/56/82/546275682.db2.gz RDPAVRNNWKHFPD-UHFFFAOYSA-N 1 0 359.470 2.428 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)[C@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC000173255662 546276598 /nfs/dbraw/zinc/27/65/98/546276598.db2.gz SMJSDCPICMPPBV-IRXDYDNUSA-N 1 0 357.454 2.255 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)C1CCN(C(=O)c2ccccc2)CC1 ZINC000173255757 546276610 /nfs/dbraw/zinc/27/66/10/546276610.db2.gz MPZMHUPZADDEBN-UHFFFAOYSA-N 1 0 370.497 2.233 20 30 FEEDRO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000174846138 546304336 /nfs/dbraw/zinc/30/43/36/546304336.db2.gz AZAOVRUKTYFYGU-HUUCEWRRSA-N 1 0 352.438 2.323 20 30 FEEDRO C=CC[C@H](CO)C[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480171605 561204148 /nfs/dbraw/zinc/20/41/48/561204148.db2.gz PUOACANYAZKXNI-FZMZJTMJSA-N 1 0 374.300 2.442 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)Nc2cccn(CC(F)(F)F)c2=O)CC1 ZINC000176525427 546457136 /nfs/dbraw/zinc/45/71/36/546457136.db2.gz NWFCMPPENKIAGC-UHFFFAOYSA-N 1 0 358.364 2.183 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCOC[C@@H]1[C@H]1CCCO1)C(C)C ZINC000480521720 561211111 /nfs/dbraw/zinc/21/11/11/561211111.db2.gz UQDIILNHRDYMRN-GUDVDZBRSA-N 1 0 365.518 2.274 20 30 FEEDRO CC(C)OCC[NH+]1CCC(N[C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000177487916 546628788 /nfs/dbraw/zinc/62/87/88/546628788.db2.gz YZBLZPQRUHFMDO-HXUWFJFHSA-N 1 0 370.497 2.143 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)NC2CC[NH+](C3CC3)CC2)cc1C(F)(F)F ZINC000177627677 546655939 /nfs/dbraw/zinc/65/59/39/546655939.db2.gz SOJYNUMBPMQCEO-UHFFFAOYSA-N 1 0 373.400 2.482 20 30 FEEDRO C[C@@H](CNS(=O)(=O)Cc1ccc(C#N)cc1F)C[NH+]1CCCCC1 ZINC000481051048 561223994 /nfs/dbraw/zinc/22/39/94/561223994.db2.gz BPHZWHMMMLQKQU-AWEZNQCLSA-N 1 0 353.463 2.239 20 30 FEEDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCc1c(C)nn(CCC#N)c1C ZINC000177812540 546689963 /nfs/dbraw/zinc/68/99/63/546689963.db2.gz DVPPNIZHFYRRJQ-MSOLQXFVSA-N 1 0 357.502 2.431 20 30 FEEDRO CS(=O)(=O)Nc1cccc2c1CC[N@H+](C[C@@H](O)c1ccc(C#N)cc1)C2 ZINC000177999011 546720116 /nfs/dbraw/zinc/72/01/16/546720116.db2.gz DBUKHQVRZDMXMK-LJQANCHMSA-N 1 0 371.462 2.021 20 30 FEEDRO N#Cc1ccc(N2CCN(C(=O)[C@H]3CC[N@@H+](C4CCCCC4)C3)CC2)nc1 ZINC000178145616 546747158 /nfs/dbraw/zinc/74/71/58/546747158.db2.gz GJAMKPSTKVEAAP-SFHVURJKSA-N 1 0 367.497 2.256 20 30 FEEDRO Cc1c(C#N)cccc1NC(=O)C(=O)NC[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000178447109 546795870 /nfs/dbraw/zinc/79/58/70/546795870.db2.gz LXVOIGOQKIYAMZ-VBKZILBWSA-N 1 0 356.470 2.432 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)NC[C@H](O)c2ccc(Cl)c(F)c2)CC1 ZINC000179357062 546938748 /nfs/dbraw/zinc/93/87/48/546938748.db2.gz RJJWMTWQDPVUOJ-INIZCTEOSA-N 1 0 355.841 2.462 20 30 FEEDRO C[N@H+](CCCO)C1CCN(C(=O)CSCc2ccc(C#N)cc2)CC1 ZINC000179751164 547007870 /nfs/dbraw/zinc/00/78/70/547007870.db2.gz KQSLWOIKGHNEHI-UHFFFAOYSA-N 1 0 361.511 2.097 20 30 FEEDRO C[N@@H+]1CCC[C@H]2CN(S(=O)(=O)c3ccc(C#N)cc3Cl)CC[C@@H]21 ZINC000180161101 547060551 /nfs/dbraw/zinc/06/05/51/547060551.db2.gz XVVRFHSNCOLVCE-ZFWWWQNUSA-N 1 0 353.875 2.316 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cnc3sc(C)c(C)n3c2=O)CC1 ZINC000180480359 547116602 /nfs/dbraw/zinc/11/66/02/547116602.db2.gz KLBQQEZWGDJKRC-UHFFFAOYSA-N 1 0 360.483 2.143 20 30 FEEDRO C[NH+](C)CCNC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 ZINC000180649689 547150747 /nfs/dbraw/zinc/15/07/47/547150747.db2.gz RKOIZXSHXJNXIT-UHFFFAOYSA-N 1 0 351.410 2.494 20 30 FEEDRO N#Cc1ccc(CC(=O)NCc2ccccc2C[N@H+]2CCC[C@H]2CO)cc1 ZINC000180879286 547200086 /nfs/dbraw/zinc/20/00/86/547200086.db2.gz DYJKFBAISNRIMC-NRFANRHFSA-N 1 0 363.461 2.374 20 30 FEEDRO N#CC1(c2ccc(C(=O)N3CC[NH+](CC4CCOCC4)CC3)cc2)CC1 ZINC000180928101 547211205 /nfs/dbraw/zinc/21/12/05/547211205.db2.gz OIRPHNXXZXXGEF-UHFFFAOYSA-N 1 0 353.466 2.426 20 30 FEEDRO C[C@@H](O)C[N@@H+]1CCN(Cc2ccc(C#N)cc2Br)C[C@H]1C ZINC000181093871 547247932 /nfs/dbraw/zinc/24/79/32/547247932.db2.gz YVHASOJKSJQYLD-CHWSQXEVSA-N 1 0 352.276 2.208 20 30 FEEDRO N#Cc1ccc(CN2CC[C@H](C[NH+]3CCOCC3)C2)c(Br)c1 ZINC000181120451 547253592 /nfs/dbraw/zinc/25/35/92/547253592.db2.gz ZNYJNOKXNXGQRU-OAHLLOKOSA-N 1 0 364.287 2.475 20 30 FEEDRO C=CCNC(=O)CNC(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000181201499 547269751 /nfs/dbraw/zinc/26/97/51/547269751.db2.gz UJWWJDHNQPEDRJ-MRXNPFEDSA-N 1 0 364.877 2.078 20 30 FEEDRO N#Cc1cc(C(=O)NCCCC[NH+]2CCN(Cc3ccccc3)CC2)c[nH]1 ZINC000181228156 547275312 /nfs/dbraw/zinc/27/53/12/547275312.db2.gz NYHKCKAVZZALBT-UHFFFAOYSA-N 1 0 365.481 2.214 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1cnc2c(cnn2C)c1OC)C(C)C ZINC000182255848 547462637 /nfs/dbraw/zinc/46/26/37/547462637.db2.gz JOLYDRZSANFJTC-KRWDZBQOSA-N 1 0 371.485 2.405 20 30 FEEDRO C[C@H](C#N)CNC(=O)NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000182649405 547528133 /nfs/dbraw/zinc/52/81/33/547528133.db2.gz ALQBORHBSXYTQT-OAHLLOKOSA-N 1 0 363.893 2.311 20 30 FEEDRO COc1c(C)cnc(C[NH+]2CCC(N(C)C(=O)NC[C@@H](C)C#N)CC2)c1C ZINC000182868111 547564036 /nfs/dbraw/zinc/56/40/36/547564036.db2.gz CKIWUEPVSYWYAW-AWEZNQCLSA-N 1 0 373.501 2.473 20 30 FEEDRO Cc1nccn1-c1ccc([C@@H](C)[NH2+]CC(=O)N(CCC#N)CCC#N)cc1 ZINC000183157970 547612194 /nfs/dbraw/zinc/61/21/94/547612194.db2.gz UMUATTJIOSXODF-MRXNPFEDSA-N 1 0 364.453 2.487 20 30 FEEDRO N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)C[N@@H+]2C[C@@H]3CCC[C@@H]3C2)CC1 ZINC000183186170 547618145 /nfs/dbraw/zinc/61/81/45/547618145.db2.gz RSQZOVKKHQJYEY-WSTZPKSXSA-N 1 0 370.472 2.266 20 30 FEEDRO N#Cc1ccc(OC[C@H](O)CN2CCO[C@H](COc3ccccc3)C2)cc1 ZINC000484541922 561299453 /nfs/dbraw/zinc/29/94/53/561299453.db2.gz GNYYQXGBNLJEDT-NQIIRXRSSA-N 1 0 368.433 2.078 20 30 FEEDRO CCC(CC)C[N@H+](CCC#N)CCC(=O)N1CCN(c2ncccn2)CC1 ZINC000484930065 561308923 /nfs/dbraw/zinc/30/89/23/561308923.db2.gz ZCWWHSWYMDWSLL-UHFFFAOYSA-N 1 0 372.517 2.167 20 30 FEEDRO CC(C)Oc1ccc(NC(=O)N[C@@H](C)CC[NH+]2CCN(C)CC2)cc1C#N ZINC000184546225 547843617 /nfs/dbraw/zinc/84/36/17/547843617.db2.gz MNSHLDAFYXGXCE-INIZCTEOSA-N 1 0 373.501 2.493 20 30 FEEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH2+][C@@H]2CCCC[C@H]2C(N)=O)c1 ZINC000184800801 547880496 /nfs/dbraw/zinc/88/04/96/547880496.db2.gz CTCFGWHAEUYRES-QZTJIDSGSA-N 1 0 356.470 2.184 20 30 FEEDRO CC(C)(C)C(=O)N1CCC(C[NH+]2CCN(c3ncccc3C#N)CC2)CC1 ZINC000185152464 547941904 /nfs/dbraw/zinc/94/19/04/547941904.db2.gz SGMKYGRHOLPBJF-UHFFFAOYSA-N 1 0 369.513 2.360 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)CCOc2ccc(C=O)cc2OC)CC1 ZINC000185507156 547994960 /nfs/dbraw/zinc/99/49/60/547994960.db2.gz BKJMUHLKWVWNTE-UHFFFAOYSA-N 1 0 360.454 2.433 20 30 FEEDRO CCCN(CC[NH+](CC)CC)S(=O)(=O)c1ccc(C#N)cc1OC ZINC000185917233 548059169 /nfs/dbraw/zinc/05/91/69/548059169.db2.gz WBEGVZQFZIDWLL-UHFFFAOYSA-N 1 0 353.488 2.309 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)N[C@H](C)CC[NH+]1CCN(C)CC1 ZINC000186113645 548086509 /nfs/dbraw/zinc/08/65/09/548086509.db2.gz IYWGQGSZKKACLZ-MRXNPFEDSA-N 1 0 350.532 2.472 20 30 FEEDRO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1CCC(Cn2cncn2)CC1 ZINC000186256448 548108028 /nfs/dbraw/zinc/10/80/28/548108028.db2.gz JRUDOIZKWFCRRZ-OHTSDLOESA-N 1 0 372.517 2.309 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H](OCC)[C@H]2Oc2ccccc2)CC1 ZINC000186369596 548125698 /nfs/dbraw/zinc/12/56/98/548125698.db2.gz BOQAZFAQSKFDCC-UFYCRDLUSA-N 1 0 356.466 2.073 20 30 FEEDRO CCOC(=O)C[C@@](C)([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)C(C)C ZINC000186714083 548179545 /nfs/dbraw/zinc/17/95/45/548179545.db2.gz JVRMXYHNXMHCKO-GOSISDBHSA-N 1 0 366.483 2.289 20 30 FEEDRO C[C@H]1C[N@@H+](C2CCN(C(=O)C3(c4ccc(C#N)cc4)CC3)CC2)CCO1 ZINC000186790043 548194439 /nfs/dbraw/zinc/19/44/39/548194439.db2.gz IXCRTRCPIHTCOT-INIZCTEOSA-N 1 0 353.466 2.302 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N[C@H](c2cnn(C)c2)c2ccc(F)cc2)CC1 ZINC000186814669 548199059 /nfs/dbraw/zinc/19/90/59/548199059.db2.gz UBXSFDVCAQFPFI-IBGZPJMESA-N 1 0 354.429 2.110 20 30 FEEDRO C=CCn1c(SCCN2CCOC[C@@H]2C)nc2sccc2c1=O ZINC000188230950 548274811 /nfs/dbraw/zinc/27/48/11/548274811.db2.gz GWRJOOUCIJVSJU-LBPRGKRZSA-N 1 0 351.497 2.457 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)NC[C@@](C)(C(=O)OC)c2ccccc2)CC1 ZINC000189644736 548306514 /nfs/dbraw/zinc/30/65/14/548306514.db2.gz FZMLBJDZCZHJHX-OAQYLSRUSA-N 1 0 373.497 2.457 20 30 FEEDRO O=C(CN1CCN(CC#Cc2ccccc2)CC1)N1CCc2ccccc21 ZINC000191957404 548353696 /nfs/dbraw/zinc/35/36/96/548353696.db2.gz HSSQHLOSMNSAJB-UHFFFAOYSA-N 1 0 359.473 2.245 20 30 FEEDRO C=CCN(CC=C)C(=O)C[NH2+][C@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1 ZINC000192156786 548360340 /nfs/dbraw/zinc/36/03/40/548360340.db2.gz UNBBISJWWUNFQT-LPHOPBHVSA-N 1 0 361.873 2.402 20 30 FEEDRO C=CCSCCNC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000192364140 548362505 /nfs/dbraw/zinc/36/25/05/548362505.db2.gz JSELQJKTRQTOLC-SFHVURJKSA-N 1 0 363.527 2.496 20 30 FEEDRO O=C(NCC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)C1N=CC=CC1=O ZINC000192996497 548378092 /nfs/dbraw/zinc/37/80/92/548378092.db2.gz UTXRSHHJOGHPCZ-BQASMSSTSA-N 1 0 356.382 2.088 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cnn(C3CCCC3)c2C)CC1 ZINC000193203962 548382883 /nfs/dbraw/zinc/38/28/83/548382883.db2.gz GSSKUOVHKULWFF-UHFFFAOYSA-N 1 0 373.501 2.402 20 30 FEEDRO CCOC1CC(CNC(=[NH2+])Nc2ccc(C)c(C)c2)(N2CCOCC2)C1 ZINC000193827149 548398470 /nfs/dbraw/zinc/39/84/70/548398470.db2.gz KCNXSHRTZKZARW-UHFFFAOYSA-N 1 0 360.502 2.300 20 30 FEEDRO C=CCSCCNC(=O)NCc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000194565679 548499767 /nfs/dbraw/zinc/49/97/67/548499767.db2.gz RVZUUFUZYISIKH-UHFFFAOYSA-N 1 0 362.543 2.152 20 30 FEEDRO C[C@H](C(=O)NC[C@H](O)C[N@@H+]1CCc2ccccc2C1)c1cccc(C#N)c1 ZINC000486623509 561352755 /nfs/dbraw/zinc/35/27/55/561352755.db2.gz LXCOOYZCOOGIIE-KKSFZXQISA-N 1 0 363.461 2.197 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCC[C@@H](CNC(C)=O)C1 ZINC000195718914 548656204 /nfs/dbraw/zinc/65/62/04/548656204.db2.gz HRUNGIOVUMUSOA-RDJZCZTQSA-N 1 0 363.527 2.499 20 30 FEEDRO COCCOc1ccc(C#N)cc1NC(=O)N1CC[N@H+](C)[C@H](C(C)C)C1 ZINC000487193328 561365763 /nfs/dbraw/zinc/36/57/63/561365763.db2.gz VWBZALHQHKOBJU-KRWDZBQOSA-N 1 0 360.458 2.387 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])cc1C(F)(F)F ZINC000238026328 548872877 /nfs/dbraw/zinc/87/28/77/548872877.db2.gz ZCRZXUJDLIRYMA-BXUZGUMPSA-N 1 0 361.389 2.373 20 30 FEEDRO C[C@@H]1C[NH+](C[C@H]2CCCN2Cc2cnc3ccc(C#N)cn23)C[C@@H](C)O1 ZINC000245559320 548946881 /nfs/dbraw/zinc/94/68/81/548946881.db2.gz LVGUUKFHELNPRR-JFIYKMOQSA-N 1 0 353.470 2.280 20 30 FEEDRO C[N@@H+]1CC[C@@H](NS(=O)(=O)Cc2cccc(C#N)c2)[C@H]1c1ccccc1 ZINC000245650814 548966282 /nfs/dbraw/zinc/96/62/82/548966282.db2.gz MUFCOCNUSAFLBR-RTBURBONSA-N 1 0 355.463 2.423 20 30 FEEDRO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2C[C@@H](C(N)=O)CC[C@H]2C)c1C ZINC000245874288 549008019 /nfs/dbraw/zinc/00/80/19/549008019.db2.gz XKHARMZCLFAWAU-WBVHZDCISA-N 1 0 356.470 2.136 20 30 FEEDRO N#CC1(NC(=O)C[N@H+](C[C@@H]2CCCO2)[C@H]2CCSC2)CCCCC1 ZINC000245884237 549010391 /nfs/dbraw/zinc/01/03/91/549010391.db2.gz NPLLXDUOPRMCQO-HOTGVXAUSA-N 1 0 351.516 2.316 20 30 FEEDRO N#Cc1cc(F)ccc1NC(=O)NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000245928970 549022760 /nfs/dbraw/zinc/02/27/60/549022760.db2.gz UOLZRHJXRJVEAB-ROUUACIJSA-N 1 0 368.412 2.454 20 30 FEEDRO C[N@@H+]1CCN(CCCNC(=O)c2ccc(C#N)cn2)[C@@H](c2ccccc2)C1 ZINC000245946215 549025868 /nfs/dbraw/zinc/02/58/68/549025868.db2.gz WSRIZKJWPBUHMY-HXUWFJFHSA-N 1 0 363.465 2.062 20 30 FEEDRO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2Cc3ccccc3C[C@H]2C)CC1 ZINC000245999427 549033787 /nfs/dbraw/zinc/03/37/87/549033787.db2.gz IWXFMOGNCHWNNT-YLJYHZDGSA-N 1 0 354.498 2.126 20 30 FEEDRO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000246200361 549075783 /nfs/dbraw/zinc/07/57/83/549075783.db2.gz ORXJOHKHOOGZCY-KGLIPLIRSA-N 1 0 353.875 2.459 20 30 FEEDRO CCN(CCC#N)C(=O)C[N@@H+]1C[C@H](C(=O)OC)C[C@H](c2ccccc2)C1 ZINC000246207612 549078130 /nfs/dbraw/zinc/07/81/30/549078130.db2.gz BUZPMYAUBJHRIZ-ZWKOTPCHSA-N 1 0 357.454 2.027 20 30 FEEDRO COc1cc(C#N)ccc1S(=O)(=O)N[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000248634486 549472506 /nfs/dbraw/zinc/47/25/06/549472506.db2.gz JNRWAISVCCKVAE-ZNMIVQPWSA-N 1 0 365.499 2.212 20 30 FEEDRO CC[NH+](CC)[C@H](CNS(=O)(=O)c1cnc(C)c(C#N)c1)CC(C)C ZINC000489591572 561415025 /nfs/dbraw/zinc/41/50/25/561415025.db2.gz ARJRPZULOIETPS-INIZCTEOSA-N 1 0 352.504 2.297 20 30 FEEDRO C[NH+](C)CC1CCC(NC(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)CC1 ZINC000489758516 561418468 /nfs/dbraw/zinc/41/84/68/561418468.db2.gz WARUPVBCVFLXDX-VMWRSERWSA-N 1 0 371.485 2.236 20 30 FEEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)N[C@@H]3C[C@H]4OCCC[C@@H]34)CC2)cc1 ZINC000251614105 549648413 /nfs/dbraw/zinc/64/84/13/549648413.db2.gz GGZXPKIURPFRCO-XUVXKRRUSA-N 1 0 368.481 2.343 20 30 FEEDRO CC[NH+]=C(NC[C@@H](C)c1c(C)noc1C)N1CCO[C@@H](c2cnn(C)c2)C1 ZINC000261705446 549744738 /nfs/dbraw/zinc/74/47/38/549744738.db2.gz GRWDWNZQEORNER-CXAGYDPISA-N 1 0 374.489 2.167 20 30 FEEDRO CC[NH+]=C(NC[C@](C)(O)c1ccco1)N1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000261931039 549771262 /nfs/dbraw/zinc/77/12/62/549771262.db2.gz BIOZPSMARGNFAK-GJYPPUQNSA-N 1 0 359.474 2.232 20 30 FEEDRO C[NH+]=C(NCc1nc(C(F)(F)F)cs1)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000261955262 549773645 /nfs/dbraw/zinc/77/36/45/549773645.db2.gz IOXVSBHKDVLEMJ-MWLCHTKSSA-N 1 0 361.437 2.310 20 30 FEEDRO COc1ccc(NC(=[NH2+])NCC(=O)N2CCc3ccccc3C2)cc1OC ZINC000261995548 549777980 /nfs/dbraw/zinc/77/79/80/549777980.db2.gz NMPCRDRMVZEZJA-UHFFFAOYSA-N 1 0 368.437 2.015 20 30 FEEDRO CS(=O)(=O)Cc1ccc(CNC(=[NH2+])N[C@H]2CCOc3ccccc32)cc1 ZINC000262434518 549819644 /nfs/dbraw/zinc/81/96/44/549819644.db2.gz CBARHJKMCOBYJF-KRWDZBQOSA-N 1 0 373.478 2.159 20 30 FEEDRO Cc1nnc2n1C[C@H](CNC(=[NH2+])NCc1cccc(C(F)(F)F)c1)CC2 ZINC000262546128 549827329 /nfs/dbraw/zinc/82/73/29/549827329.db2.gz VEKXISAVMLZRJS-ZDUSSCGKSA-N 1 0 366.391 2.272 20 30 FEEDRO C[S@@](=O)Cc1ccc(CNC(=[NH2+])N[C@@H]2CCOc3ccccc32)cc1 ZINC000262655382 549835615 /nfs/dbraw/zinc/83/56/15/549835615.db2.gz LLTQNBLZRKGUNJ-CRICUBBOSA-N 1 0 357.479 2.493 20 30 FEEDRO C[C@@H](NC(=[NH2+])NCCn1cnc(C#N)n1)c1ccc(Cl)cc1Cl ZINC000262681288 549838427 /nfs/dbraw/zinc/83/84/27/549838427.db2.gz WHXZDLOKTADQOD-SECBINFHSA-N 1 0 352.229 2.122 20 30 FEEDRO [NH2+]=C(NCCc1cn2ccccc2n1)N1CCN(c2ccc(F)cc2)CC1 ZINC000263252073 549889776 /nfs/dbraw/zinc/88/97/76/549889776.db2.gz PDNVUSAPLYVESI-UHFFFAOYSA-N 1 0 366.444 2.153 20 30 FEEDRO N#Cc1ccccc1N1CCN(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000263676440 549918064 /nfs/dbraw/zinc/91/80/64/549918064.db2.gz IAUSFWWHTUQINP-PKOBYXMFSA-N 1 0 353.470 2.017 20 30 FEEDRO CC(C)C(=O)NC[C@@H]1CCC[N@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000263789779 549937429 /nfs/dbraw/zinc/93/74/29/549937429.db2.gz XDXDFQULFZQHPN-INIZCTEOSA-N 1 0 356.470 2.371 20 30 FEEDRO CC(C)CCNC(=[NH2+])NCc1ccc(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000264069083 549974906 /nfs/dbraw/zinc/97/49/06/549974906.db2.gz CPCWVASMKVZZDW-HZPDHXFCSA-N 1 0 360.502 2.386 20 30 FEEDRO CCOC(=O)N1CCC(NC(=[NH2+])NCCc2cccc3cccnc32)CC1 ZINC000264081579 549976888 /nfs/dbraw/zinc/97/68/88/549976888.db2.gz IONPDXHOJJHQCT-UHFFFAOYSA-N 1 0 369.469 2.303 20 30 FEEDRO CCOC(=O)N1CCC(NC(=[NH2+])NCCCOc2ccc(F)cc2)CC1 ZINC000264092893 549978455 /nfs/dbraw/zinc/97/84/55/549978455.db2.gz LOXKUDCKBILCFZ-UHFFFAOYSA-N 1 0 366.437 2.120 20 30 FEEDRO COc1ccc(OC)c(CNC(=[NH2+])NCc2ccc(OC)c(OC)c2)c1 ZINC000264131931 549982500 /nfs/dbraw/zinc/98/25/00/549982500.db2.gz UECGJEZNMCUJDC-UHFFFAOYSA-N 1 0 359.426 2.326 20 30 FEEDRO COc1cc(C[NH2+][C@H](C)c2ccc(OCC#N)cc2)ccc1OCC(N)=O ZINC000264232484 549993266 /nfs/dbraw/zinc/99/32/66/549993266.db2.gz BWLICFYAJPGQFV-CQSZACIVSA-N 1 0 369.421 2.312 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000264544326 549998052 /nfs/dbraw/zinc/99/80/52/549998052.db2.gz IQVVSYYLHCACDS-JXMROGBWSA-N 1 0 370.497 2.230 20 30 FEEDRO Cc1ccc(CNC(Nc2ccccc2)=[NH+]CCCS(N)(=O)=O)cc1 ZINC000264613913 549999066 /nfs/dbraw/zinc/99/90/66/549999066.db2.gz QBNWWONDVNAEBM-UHFFFAOYSA-N 1 0 360.483 2.041 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N[C@@H](C#N)c2ccc(Br)cc2)CC1 ZINC000264863671 550001996 /nfs/dbraw/zinc/00/19/96/550001996.db2.gz GIEGBVLOGBLBST-INIZCTEOSA-N 1 0 360.255 2.475 20 30 FEEDRO CCOC(=O)N1CCC(NC(=[NH2+])NC[C@H](C)Oc2ccc(F)cc2)CC1 ZINC000267382138 550030409 /nfs/dbraw/zinc/03/04/09/550030409.db2.gz AXLYZRDSVBQERB-ZDUSSCGKSA-N 1 0 366.437 2.118 20 30 FEEDRO NC(=O)[C@@H]1CC[C@H](CNC(=[NH2+])Nc2cccc(Oc3ccccc3)c2)O1 ZINC000268454176 550068418 /nfs/dbraw/zinc/06/84/18/550068418.db2.gz WDOSYHXXYDEHRO-SJORKVTESA-N 1 0 354.410 2.238 20 30 FEEDRO Cc1nc(C(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)cn2)ccc1C#N ZINC000268797960 550117549 /nfs/dbraw/zinc/11/75/49/550117549.db2.gz YOORWBBHJLEOES-UHFFFAOYSA-N 1 0 364.453 2.439 20 30 FEEDRO C[C@H](CNC(=O)C(=O)Nc1ccc(C#N)cc1Cl)[N@@H+]1CCC[C@@H](C)C1 ZINC000269108966 550156489 /nfs/dbraw/zinc/15/64/89/550156489.db2.gz PWEIKSVJHHOPDE-CHWSQXEVSA-N 1 0 362.861 2.387 20 30 FEEDRO Cc1nc(C(=O)Nc2ccc(N3CC[C@H]([NH+](C)C)C3)cn2)ccc1C#N ZINC000269475396 550200192 /nfs/dbraw/zinc/20/01/92/550200192.db2.gz ZYQUUDSXQVMWID-INIZCTEOSA-N 1 0 350.426 2.049 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCC(Cn2ccnn2)CC1)C(C)C ZINC000269951086 550238556 /nfs/dbraw/zinc/23/85/56/550238556.db2.gz HPUDNODHGAKDNY-IBGZPJMESA-N 1 0 374.533 2.398 20 30 FEEDRO C#CC[C@H](NC(=O)N(C)CC[N@H+](C)C1CCN(C)CC1)c1ccccc1 ZINC000270370951 550266042 /nfs/dbraw/zinc/26/60/42/550266042.db2.gz TXUAMKFBRRQNAJ-FQEVSTJZSA-N 1 0 356.514 2.418 20 30 FEEDRO CS(=O)(=O)N1CCC[C@H]([NH2+]C2CCC(C#N)(c3ccccc3)CC2)C1 ZINC000271084913 550338855 /nfs/dbraw/zinc/33/88/55/550338855.db2.gz SPVGOPDAUSHWCT-XBMUEBEBSA-N 1 0 361.511 2.404 20 30 FEEDRO C#CCOc1ccccc1C[NH2+][C@H](C)c1ccc(S(=O)(=O)NC)cc1 ZINC000271462393 550377588 /nfs/dbraw/zinc/37/75/88/550377588.db2.gz KFIMTDCRIUFLGU-OAHLLOKOSA-N 1 0 358.463 2.458 20 30 FEEDRO C=CCC[C@H]([NH2+]Cc1ccccc1S(=O)(=O)N(C)CCO)C1CC1 ZINC000271464754 550377655 /nfs/dbraw/zinc/37/76/55/550377655.db2.gz KUUWLQNGCYCXNJ-KRWDZBQOSA-N 1 0 352.500 2.134 20 30 FEEDRO C=CC[C@H](C)[C@H](C)[NH2+]Cc1ccc(CS(=O)(=O)CC(=O)OC)cc1 ZINC000271530228 550382706 /nfs/dbraw/zinc/38/27/06/550382706.db2.gz RXYLZRWZBOIGBF-GJZGRUSLSA-N 1 0 353.484 2.465 20 30 FEEDRO C#CC[C@H]([NH2+]CC(=O)NC1CCN(C(=O)OCC)CC1)c1ccccc1 ZINC000271647161 550392495 /nfs/dbraw/zinc/39/24/95/550392495.db2.gz AIYYFMKOUJIEHZ-SFHVURJKSA-N 1 0 357.454 2.078 20 30 FEEDRO C=C(C)[C@H]1OCC[C@H]1C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000494252360 561465856 /nfs/dbraw/zinc/46/58/56/561465856.db2.gz XMDZIZVPYXHXKE-WOJBJXKFSA-N 1 0 357.498 2.296 20 30 FEEDRO CNS(=O)(=O)c1cccc(C[NH2+][C@@H](C)c2ccc(OCC#N)cc2)c1 ZINC000271919915 550410970 /nfs/dbraw/zinc/41/09/70/550410970.db2.gz ZVXPCMAHDJDPLI-AWEZNQCLSA-N 1 0 359.451 2.348 20 30 FEEDRO C[C@H](NS(=O)(=O)c1ccc(C#N)nc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272405822 550444652 /nfs/dbraw/zinc/44/46/52/550444652.db2.gz KPQURQZRTKWBML-DOTOQJQBSA-N 1 0 370.478 2.142 20 30 FEEDRO C[C@@H](NS(=O)(=O)c1ccc(C#N)nc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272405823 550444731 /nfs/dbraw/zinc/44/47/31/550444731.db2.gz KPQURQZRTKWBML-NVXWUHKLSA-N 1 0 370.478 2.142 20 30 FEEDRO C=CCS(=O)(=O)CC[NH2+][C@H](C)CC(=O)N(C)Cc1ccccc1Cl ZINC000272813347 550472069 /nfs/dbraw/zinc/47/20/69/550472069.db2.gz DNXHEHIIQIAGTK-CQSZACIVSA-N 1 0 372.918 2.267 20 30 FEEDRO C=CCS(=O)(=O)CC[NH2+][C@@H](C)CC(=O)N(C)Cc1cccc(Cl)c1 ZINC000272867311 550474172 /nfs/dbraw/zinc/47/41/72/550474172.db2.gz NZFCODCHEFDCMA-AWEZNQCLSA-N 1 0 372.918 2.267 20 30 FEEDRO C=CCc1ccc(OC[C@@H](O)C[NH2+][C@@H](CO)c2ccccc2)c(OC)c1 ZINC000273082331 550484317 /nfs/dbraw/zinc/48/43/17/550484317.db2.gz HSEZIYALUIHQPN-OALUTQOASA-N 1 0 357.450 2.487 20 30 FEEDRO COCCOc1ccc(C#N)cc1NC(=O)N(CCC#N)CCC[NH+](C)C ZINC000273130057 550486457 /nfs/dbraw/zinc/48/64/57/550486457.db2.gz GDSPQGHCAUETFU-UHFFFAOYSA-N 1 0 373.457 2.283 20 30 FEEDRO C=CCNc1ncc(C(=O)N2C[C@@H]([NH+]3CCCC3)[C@@H](SC)C2)s1 ZINC000275112258 550570619 /nfs/dbraw/zinc/57/06/19/550570619.db2.gz LQXGQLSQIXBFOF-OCCSQVGLSA-N 1 0 352.529 2.393 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)[C@H]1CCO[C@@H]1c1cnn(C)c1)C(C)C ZINC000275453271 550572343 /nfs/dbraw/zinc/57/23/43/550572343.db2.gz GWMXMMZOHSURTL-IPMKNSEASA-N 1 0 360.502 2.313 20 30 FEEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+](CCO)C2CCOCC2)c1 ZINC000275476445 550572382 /nfs/dbraw/zinc/57/23/82/550572382.db2.gz DHYFEMYRHMVPHJ-UHFFFAOYSA-N 1 0 359.470 2.023 20 30 FEEDRO CCN(CCC[NH+](CC)CC)C(=O)C(=O)Nc1cccc(OCC#N)c1 ZINC000276268179 550577973 /nfs/dbraw/zinc/57/79/73/550577973.db2.gz GFJSZHGIOFPJQU-UHFFFAOYSA-N 1 0 360.458 2.108 20 30 FEEDRO C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000277216677 550644450 /nfs/dbraw/zinc/64/44/50/550644450.db2.gz YKWUTTLXEAGWIC-QGZVFWFLSA-N 1 0 356.470 2.369 20 30 FEEDRO CS[C@H]1CN(S(=O)(=O)c2ccc(C#N)c(C)c2)C[C@@H]1[NH+]1CCCC1 ZINC000277506530 550678613 /nfs/dbraw/zinc/67/86/13/550678613.db2.gz BDCFQBFNHMVGTB-IRXDYDNUSA-N 1 0 365.524 2.067 20 30 FEEDRO CCOC(=O)N1CC[C@H]([NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000278729124 550815743 /nfs/dbraw/zinc/81/57/43/550815743.db2.gz UJKLVUJWALOALM-KRWDZBQOSA-N 1 0 368.441 2.179 20 30 FEEDRO CCOCCCNC(NCc1ccc(OC)cc1)=[NH+]CCC[C@@H](C)O ZINC000278750357 550818007 /nfs/dbraw/zinc/81/80/07/550818007.db2.gz MIEYXHFZMZLTPL-MRXNPFEDSA-N 1 0 351.491 2.318 20 30 FEEDRO C=C(C)[C@H]1OCC[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000278841299 550827963 /nfs/dbraw/zinc/82/79/63/550827963.db2.gz RMWNSCSNIZVEMA-VAMGGRTRSA-N 1 0 358.482 2.375 20 30 FEEDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)/C=C/c1ccc(OCC#N)cc1 ZINC000278843793 550828109 /nfs/dbraw/zinc/82/81/09/550828109.db2.gz LGURWTNCQMTXED-PFWMLDTASA-N 1 0 369.465 2.314 20 30 FEEDRO COC[C@H]([NH2+]CC(=O)N(CCC#N)c1ccc(C)c(C)c1)[C@@H]1CCCO1 ZINC000278997069 550844955 /nfs/dbraw/zinc/84/49/55/550844955.db2.gz CFJSNVRCLGQYQN-OALUTQOASA-N 1 0 359.470 2.334 20 30 FEEDRO CS[C@H]1CN(C(=O)c2cc(-c3cccc(C#N)c3)no2)C[C@H]1[NH+](C)C ZINC000279408240 550886906 /nfs/dbraw/zinc/88/69/06/550886906.db2.gz IOTBLPNQVAJINA-WBVHZDCISA-N 1 0 356.451 2.331 20 30 FEEDRO C[NH+]1CCC([C@@H]2CCN(C(=O)[C@@H](C#N)Cc3ccc(C#N)cc3)C2)CC1 ZINC000279888460 550939845 /nfs/dbraw/zinc/93/98/45/550939845.db2.gz CURCGEKEQYDNQI-WOJBJXKFSA-N 1 0 350.466 2.431 20 30 FEEDRO CS[C@@H]1CN(C(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)C[C@H]1[NH+]1CCCC1 ZINC000280208223 550971567 /nfs/dbraw/zinc/97/15/67/550971567.db2.gz FTNMYUVZUKCVKT-GUDVDZBRSA-N 1 0 368.506 2.279 20 30 FEEDRO CC[NH+](CC)CCCCNC(=O)C1CCN(c2oc(C)nc2C#N)CC1 ZINC000280503506 551001060 /nfs/dbraw/zinc/00/10/60/551001060.db2.gz LGAPYWJPHLEUGO-UHFFFAOYSA-N 1 0 361.490 2.309 20 30 FEEDRO C=CCN1CC[C@@H]([N@@H+](C)CCC(=O)Nc2cc(Cl)ccc2OC)C1=O ZINC000281197766 551072914 /nfs/dbraw/zinc/07/29/14/551072914.db2.gz CGKXSNQVBBQQMN-OAHLLOKOSA-N 1 0 365.861 2.396 20 30 FEEDRO COc1cc(C[NH2+][C@H](C)CN2CCN(c3ccccn3)CC2)ccc1C#N ZINC000281644265 551124665 /nfs/dbraw/zinc/12/46/65/551124665.db2.gz JEMSCCLUJDIHFH-QGZVFWFLSA-N 1 0 365.481 2.262 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000281857788 551149439 /nfs/dbraw/zinc/14/94/39/551149439.db2.gz RQUGYICTMNHZAW-APWZRJJASA-N 1 0 358.486 2.326 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)NC[C@H]2CC(c3ccc(C)cc3)=NO2)CC1 ZINC000282076576 551177324 /nfs/dbraw/zinc/17/73/24/551177324.db2.gz BUAKZZAHJONFNC-GOSISDBHSA-N 1 0 356.470 2.438 20 30 FEEDRO CC[NH+](CC)Cc1ccccc1CNS(=O)(=O)N(C)[C@H](C)CC#N ZINC000282326560 551212087 /nfs/dbraw/zinc/21/20/87/551212087.db2.gz AOSFTESPUWTRBW-OAHLLOKOSA-N 1 0 352.504 2.097 20 30 FEEDRO C[NH+](C)C[C@H]1CCN(S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)C1 ZINC000282718721 551263388 /nfs/dbraw/zinc/26/33/88/551263388.db2.gz RLMLJRWFXQRLOV-LLVKDONJSA-N 1 0 361.389 2.149 20 30 FEEDRO COc1ccc(CNC(=[NH2+])NC[C@H](O)c2cc(C)cc(C)c2)cc1OC ZINC000282741009 551265370 /nfs/dbraw/zinc/26/53/70/551265370.db2.gz XYVOHSMUIUVRCV-KRWDZBQOSA-N 1 0 357.454 2.459 20 30 FEEDRO C#Cc1cc(F)c(NC(=O)C(=O)NC2CC[NH+](CC(=C)C)CC2)c(F)c1 ZINC000283035322 551301167 /nfs/dbraw/zinc/30/11/67/551301167.db2.gz USYBMFLODNJWEW-UHFFFAOYSA-N 1 0 361.392 2.041 20 30 FEEDRO C=C(C)Cn1c(-c2cccn2C)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000283667529 551406099 /nfs/dbraw/zinc/40/60/99/551406099.db2.gz QVABHJQPXRFWSE-KRWDZBQOSA-N 1 0 370.501 2.018 20 30 FEEDRO Cc1nn(C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)c(=O)c(C#N)c1C ZINC000284401994 551541761 /nfs/dbraw/zinc/54/17/61/551541761.db2.gz ZTNGDVYVOAPBKU-SFHVURJKSA-N 1 0 352.438 2.023 20 30 FEEDRO Cc1cc(C#N)ccc1C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C ZINC000284832293 551645638 /nfs/dbraw/zinc/64/56/38/551645638.db2.gz NIVJCJFADWKCIS-QFBILLFUSA-N 1 0 351.454 2.413 20 30 FEEDRO C=C(C)CN(Cc1ccc(CO)o1)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000498593084 561529771 /nfs/dbraw/zinc/52/97/71/561529771.db2.gz OWNHCVDMKNSNGX-GOSISDBHSA-N 1 0 367.515 2.297 20 30 FEEDRO Cn1ccc2ccc(NC(=O)N(CCC#N)CCC[NH+](C)C)cc2c1=O ZINC000285065145 551699273 /nfs/dbraw/zinc/69/92/73/551699273.db2.gz WRLGSHJHZKCRJZ-UHFFFAOYSA-N 1 0 355.442 2.238 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@H](C)c2ccc(F)cc2)CC1 ZINC000285086607 551702262 /nfs/dbraw/zinc/70/22/62/551702262.db2.gz PJVWEBANHLAGLM-HNNXBMFYSA-N 1 0 361.461 2.202 20 30 FEEDRO CC[N@@H+]1CCCN(C(=O)C2CCN(c3ccc(C#N)cc3F)CC2)CC1 ZINC000285343956 551741402 /nfs/dbraw/zinc/74/14/02/551741402.db2.gz DCZBXBIFBTXWGD-UHFFFAOYSA-N 1 0 358.461 2.468 20 30 FEEDRO C#CCOc1ccc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)N3CC(=O)N(C)C)cc1 ZINC000285517626 551768776 /nfs/dbraw/zinc/76/87/76/551768776.db2.gz BPTCOQYXXUDPBT-VOBGVNJCSA-N 1 0 369.509 2.433 20 30 FEEDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)C1 ZINC000286034697 551840900 /nfs/dbraw/zinc/84/09/00/551840900.db2.gz BGLRHMWJEVCXPB-YQVWRLOYSA-N 1 0 370.472 2.466 20 30 FEEDRO C=C(C)C[NH+]1CCC(Nc2ccc(C(=O)CC)cc2S(N)(=O)=O)CC1 ZINC000286079188 551846333 /nfs/dbraw/zinc/84/63/33/551846333.db2.gz ACPGDPUADVZGKL-UHFFFAOYSA-N 1 0 365.499 2.379 20 30 FEEDRO COc1ccc(C[C@@H](C)[NH2+]CCNC(=O)C2N=CC=CC2=O)c(C)c1OC ZINC000286230147 551863959 /nfs/dbraw/zinc/86/39/59/551863959.db2.gz SSGPWXNFJSSDIT-MYXCPXAOSA-N 1 0 373.453 2.059 20 30 FEEDRO COC(=O)[C@]1(C(F)(F)F)CCN([C@@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000286350924 551877473 /nfs/dbraw/zinc/87/74/73/551877473.db2.gz FNMJUCBCQTVIQZ-ZBEGNZNMSA-N 1 0 369.343 2.313 20 30 FEEDRO C#CC(C)(C)NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1c1cnn(C)c1 ZINC000286426916 551884861 /nfs/dbraw/zinc/88/48/61/551884861.db2.gz SIULIAXDOLEKRS-MOPGFXCFSA-N 1 0 350.466 2.164 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@H](Cc3ccccc3)[C@@H]2C)CC1 ZINC000286468597 551889068 /nfs/dbraw/zinc/88/90/68/551889068.db2.gz ILXJIGCNUPVIMX-PKOBYXMFSA-N 1 0 369.509 2.233 20 30 FEEDRO COC(=O)[C@]1(C(F)(F)F)CC[N@H+](CCOc2ccc(C#N)cc2OC)C1 ZINC000286503686 551893564 /nfs/dbraw/zinc/89/35/64/551893564.db2.gz MLRLMXVNAXUXSV-INIZCTEOSA-N 1 0 372.343 2.373 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[C@@H](c3cccc(F)c3)C2)CC1 ZINC000286508150 551894348 /nfs/dbraw/zinc/89/43/48/551894348.db2.gz KTJZQFVEIDIBHX-VQIMIIECSA-N 1 0 373.472 2.345 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCc3sccc3[C@H]2C)CC1 ZINC000286611424 551905984 /nfs/dbraw/zinc/90/59/84/551905984.db2.gz LIZRWJLLCKVETI-CQSZACIVSA-N 1 0 361.511 2.351 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@H](C)Sc2ccccc2)CC1 ZINC000286711405 551917340 /nfs/dbraw/zinc/91/73/40/551917340.db2.gz QMTIOVKXZRQRKA-HNNXBMFYSA-N 1 0 361.511 2.050 20 30 FEEDRO C=CCN(CC=C)C(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000286716063 551918059 /nfs/dbraw/zinc/91/80/59/551918059.db2.gz PHXRNAOXLCCGFX-MJGOQNOKSA-N 1 0 355.482 2.356 20 30 FEEDRO N#Cc1ccc(NC(=O)CC[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)cc1 ZINC000286729883 551919645 /nfs/dbraw/zinc/91/96/45/551919645.db2.gz XQZKZEFRSAOXHL-UKRRQHHQSA-N 1 0 355.360 2.380 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(C)[C@H]2CCc3ccccc3C2)CC1 ZINC000286831938 551931057 /nfs/dbraw/zinc/93/10/57/551931057.db2.gz XHBNWEKMXHGAGW-FQEVSTJZSA-N 1 0 369.509 2.159 20 30 FEEDRO Cc1nc2ccccc2n1C[C@@H]1CCCN1C(=O)C(=O)NCCCCC#N ZINC000286845079 551932729 /nfs/dbraw/zinc/93/27/29/551932729.db2.gz ZWADYWSGYNGYMA-INIZCTEOSA-N 1 0 367.453 2.146 20 30 FEEDRO COc1ccc(CN2CC[C@H]([NH2+][C@H]3CCC[C@H](C#N)C3)C2=O)c(OC)c1 ZINC000287155839 551970238 /nfs/dbraw/zinc/97/02/38/551970238.db2.gz SWQGQGNOWAVXKF-ZVZYQTTQSA-N 1 0 357.454 2.477 20 30 FEEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000287327671 551990098 /nfs/dbraw/zinc/99/00/98/551990098.db2.gz WWGQQQXTPNJDGX-MOPGFXCFSA-N 1 0 370.497 2.286 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1ccc(C(N)=O)c(Cl)n1)C(C)C ZINC000287584315 552021843 /nfs/dbraw/zinc/02/18/43/552021843.db2.gz NSXGGWBIUHYYBB-OAHLLOKOSA-N 1 0 364.877 2.262 20 30 FEEDRO C#CCCN1CCN(c2ccc(S(C)(=O)=O)cc2C(F)(F)F)CC1 ZINC000287726151 552038897 /nfs/dbraw/zinc/03/88/97/552038897.db2.gz GBYKDCGHGOAKTR-UHFFFAOYSA-N 1 0 360.401 2.254 20 30 FEEDRO N#Cc1cc(Br)ccc1CN1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000287808230 552049103 /nfs/dbraw/zinc/04/91/03/552049103.db2.gz OYJHLDZDERWFDO-CQSZACIVSA-N 1 0 364.287 2.475 20 30 FEEDRO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1C[C@H](O)Cc1cccc(Cl)c1 ZINC000287812640 552049820 /nfs/dbraw/zinc/04/98/20/552049820.db2.gz PHFKCAIBBXRNAB-WMLDXEAASA-N 1 0 371.872 2.116 20 30 FEEDRO N#Cc1ccc(CN2CC[C@H]([NH2+][C@H]3CCO[C@H](C(F)(F)F)C3)C2=O)cc1 ZINC000287895112 552060357 /nfs/dbraw/zinc/06/03/57/552060357.db2.gz ZGGWJJLHWSUQRZ-JYJNAYRXSA-N 1 0 367.371 2.359 20 30 FEEDRO C#CC[C@H](Cc1ccccc1)NC(=O)NCC1(O)CC[NH+](C(C)C)CC1 ZINC000287993152 552072337 /nfs/dbraw/zinc/07/23/37/552072337.db2.gz AXTTVGOWUYFIBZ-LJQANCHMSA-N 1 0 357.498 2.156 20 30 FEEDRO C#CC[C@@H](Cc1ccccc1)NC(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000288272614 552123535 /nfs/dbraw/zinc/12/35/35/552123535.db2.gz UVKQGBLHELMTSM-NRFANRHFSA-N 1 0 369.509 2.375 20 30 FEEDRO C=CCN(CC=C)C(=O)C(=O)N[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000288305773 552129921 /nfs/dbraw/zinc/12/99/21/552129921.db2.gz UGUXBYDBSJRYBM-RUYXUALKSA-N 1 0 369.509 2.460 20 30 FEEDRO C#CC[C@H](Cc1ccccc1)NC(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000288518199 552167774 /nfs/dbraw/zinc/16/77/74/552167774.db2.gz PCDCIDRSDAJLEA-AZUAARDMSA-N 1 0 357.498 2.421 20 30 FEEDRO C=CCN1CC[C@H]([N@H+](C)CCCCCn2nnc(-c3ccccc3)n2)C1=O ZINC000500018050 561564173 /nfs/dbraw/zinc/56/41/73/561564173.db2.gz KNKLJQUTNRAVQT-SFHVURJKSA-N 1 0 368.485 2.229 20 30 FEEDRO CC(C)N(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000288924337 552237067 /nfs/dbraw/zinc/23/70/67/552237067.db2.gz MAUQBSOOOLNKEG-YJBOKZPZSA-N 1 0 368.481 2.037 20 30 FEEDRO Cc1onc(CC(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)c1C#N ZINC000500057451 561564954 /nfs/dbraw/zinc/56/49/54/561564954.db2.gz UZPBOPQWJCCPTQ-UHFFFAOYSA-N 1 0 363.421 2.072 20 30 FEEDRO Cc1onc(CC(=O)N[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1C#N ZINC000500075732 561565430 /nfs/dbraw/zinc/56/54/30/561565430.db2.gz NVPBYRBLKPMPLI-WMLDXEAASA-N 1 0 352.438 2.424 20 30 FEEDRO C=CCCCN(C)C(=O)C(=O)N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000289034049 552255957 /nfs/dbraw/zinc/25/59/57/552255957.db2.gz GFJVEVUNBNXHRW-MJGOQNOKSA-N 1 0 357.498 2.438 20 30 FEEDRO C=CCN1C(=O)c2ccc(C(=O)NCC3CC[NH+](CCC)CC3)cc2C1=O ZINC000500202552 561567769 /nfs/dbraw/zinc/56/77/69/561567769.db2.gz NYFBFXLIMMAPBJ-UHFFFAOYSA-N 1 0 369.465 2.320 20 30 FEEDRO CC(C)[NH+](CCCNC(=O)C(=O)N(C)Cc1ccc(C#N)cc1)C(C)C ZINC000289506302 552332426 /nfs/dbraw/zinc/33/24/26/552332426.db2.gz ZQYANOBJXDVZNS-UHFFFAOYSA-N 1 0 358.486 2.142 20 30 FEEDRO C[NH+]1CCN(c2ccc(CNC(=O)Nc3ccc(C#N)c(F)c3)cn2)CC1 ZINC000290129717 552431759 /nfs/dbraw/zinc/43/17/59/552431759.db2.gz JWYBVMVKKNBKNW-UHFFFAOYSA-N 1 0 368.416 2.166 20 30 FEEDRO CC[N@@H+]1CC[C@H](N(C)c2nnc(COc3ccc(C#N)cc3)n2C)[C@@H](C)C1 ZINC000290321849 552460097 /nfs/dbraw/zinc/46/00/97/552460097.db2.gz ZOFXRWOUKUCQEK-YJBOKZPZSA-N 1 0 368.485 2.432 20 30 FEEDRO N#Cc1ccc(NC(=O)C(=O)NCCCCC[NH+]2CCCCC2)cc1F ZINC000290357944 552466359 /nfs/dbraw/zinc/46/63/59/552466359.db2.gz ZEEZZGJMGDKLHI-UHFFFAOYSA-N 1 0 360.433 2.408 20 30 FEEDRO COc1ccc(CCNC(=[NH2+])NC[C@]2(CO)C[C@H]2c2ccccc2)cc1 ZINC000290486857 552487058 /nfs/dbraw/zinc/48/70/58/552487058.db2.gz GNJCAPPTGUJIJE-FPOVZHCZSA-N 1 0 353.466 2.308 20 30 FEEDRO C[NH+](C)CCNC(=O)c1cccc(CNc2ccc(C#N)c([N+](=O)[O-])c2)c1 ZINC000290616198 552507249 /nfs/dbraw/zinc/50/72/49/552507249.db2.gz KVQBMOFWMFIISK-UHFFFAOYSA-N 1 0 367.409 2.370 20 30 FEEDRO C=C(C)Cn1c(-c2cnn(C)c2)nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000290888723 552556464 /nfs/dbraw/zinc/55/64/64/552556464.db2.gz BLSWXMDDWHCPHR-RDJZCZTQSA-N 1 0 357.506 2.421 20 30 FEEDRO C[C@@H](NC(=O)C(=O)Nc1ccc(C#N)c(F)c1)[C@@H](c1ccccc1)[NH+](C)C ZINC000291247199 552605935 /nfs/dbraw/zinc/60/59/35/552605935.db2.gz JRDVGEPCOIGATQ-ACJLOTCBSA-N 1 0 368.412 2.443 20 30 FEEDRO N#Cc1ccc(NC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCCC2)cc1F ZINC000291272584 552609126 /nfs/dbraw/zinc/60/91/26/552609126.db2.gz LGTSSNIIZLLLEE-INIZCTEOSA-N 1 0 358.417 2.113 20 30 FEEDRO COCCCN(C(=O)Cc1cccc(OCC#N)c1)C1CC[NH+](C)CC1 ZINC000291372521 552619829 /nfs/dbraw/zinc/61/98/29/552619829.db2.gz ZPHWPLBTQCJQAX-UHFFFAOYSA-N 1 0 359.470 2.091 20 30 FEEDRO N#Cc1ccc(O[C@@H]2CC[N@@H+](C[C@@H](O)COCc3ccccc3F)C2)nc1 ZINC000292096129 552693251 /nfs/dbraw/zinc/69/32/51/552693251.db2.gz FXPICIPBWBOWPO-QZTJIDSGSA-N 1 0 371.412 2.123 20 30 FEEDRO N#Cc1ccc(O[C@H]2CC[N@@H+](C[C@H](O)COc3ccccc3Cl)C2)nc1 ZINC000292125454 552696405 /nfs/dbraw/zinc/69/64/05/552696405.db2.gz IHMCITCIWRHFGF-HOTGVXAUSA-N 1 0 373.840 2.500 20 30 FEEDRO Cc1ccccc1OC[C@H](O)C[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292280556 552711655 /nfs/dbraw/zinc/71/16/55/552711655.db2.gz SUIYFUKADLFOQV-MSOLQXFVSA-N 1 0 353.422 2.155 20 30 FEEDRO CN(C)C(=O)c1cccc(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)c1 ZINC000292300507 552713665 /nfs/dbraw/zinc/71/36/65/552713665.db2.gz UUCIZCCQQYUAFC-SFHVURJKSA-N 1 0 350.422 2.308 20 30 FEEDRO CN(C)C(=O)c1cccc(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)c1 ZINC000292300502 552713784 /nfs/dbraw/zinc/71/37/84/552713784.db2.gz UUCIZCCQQYUAFC-GOSISDBHSA-N 1 0 350.422 2.308 20 30 FEEDRO C#CCNC(=O)CC[N@H+]1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000292668471 552748055 /nfs/dbraw/zinc/74/80/55/552748055.db2.gz AXCQMUZSCKXXBD-OAHLLOKOSA-N 1 0 356.401 2.195 20 30 FEEDRO COc1cc(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)cc(OC)c1O ZINC000292723544 552752616 /nfs/dbraw/zinc/75/26/16/552752616.db2.gz FOIBRSOOGSXXJC-HNNXBMFYSA-N 1 0 355.394 2.329 20 30 FEEDRO C=CCOCC[N@H+]1CCC[C@@H](CNS(=O)(=O)c2ccc(C)cc2)C1 ZINC000292737909 552753932 /nfs/dbraw/zinc/75/39/32/552753932.db2.gz HAYWLKQERVJWEM-KRWDZBQOSA-N 1 0 352.500 2.188 20 30 FEEDRO COc1ccc(CCC(=O)N2CCC[N@H+](CCOCCC#N)CC2)cc1 ZINC000293089208 552787749 /nfs/dbraw/zinc/78/77/49/552787749.db2.gz NAMQYUZZQVUBOC-UHFFFAOYSA-N 1 0 359.470 2.092 20 30 FEEDRO C[NH+](C)CC[C@H](NC(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1)C(C)(C)C ZINC000293206746 552799063 /nfs/dbraw/zinc/79/90/63/552799063.db2.gz ZQWKLGNZAHFDJW-SJORKVTESA-N 1 0 373.501 2.482 20 30 FEEDRO C[NH+](C)CCN(Cc1cccs1)C(=O)C(=O)Nc1sccc1C#N ZINC000294226808 552889621 /nfs/dbraw/zinc/88/96/21/552889621.db2.gz XJWOITLCTKRKQP-UHFFFAOYSA-N 1 0 362.480 2.210 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cn(CCc3ccccc3)nn2)CC1 ZINC000294550032 552914841 /nfs/dbraw/zinc/91/48/41/552914841.db2.gz IPQYUYOWHQATPA-UHFFFAOYSA-N 1 0 353.470 2.291 20 30 FEEDRO C[NH+](C)CCNC(=O)c1ccc(CNC(=O)[C@]2(C#N)CC23CCCC3)cc1 ZINC000294611421 552920422 /nfs/dbraw/zinc/92/04/22/552920422.db2.gz MYPDICMAGFEBGJ-OAQYLSRUSA-N 1 0 368.481 2.068 20 30 FEEDRO C=CCS(=O)(=O)CC[NH2+]Cc1c[nH]c(C(=O)OCc2ccccc2)c1 ZINC000294669414 552925433 /nfs/dbraw/zinc/92/54/33/552925433.db2.gz AIXBTOZWOSNZCG-UHFFFAOYSA-N 1 0 362.451 2.062 20 30 FEEDRO C=C(C)COc1cc(C[NH2+][C@@H](CC)CNS(C)(=O)=O)ccc1OC ZINC000294935740 552945549 /nfs/dbraw/zinc/94/55/49/552945549.db2.gz BWGSBGBVYADNQW-HNNXBMFYSA-N 1 0 356.488 2.068 20 30 FEEDRO C=CCOc1ccc(CC(=O)NC[C@@H](C)C[NH+]2CCN(CC)CC2)cc1 ZINC000295010703 552951117 /nfs/dbraw/zinc/95/11/17/552951117.db2.gz XLKVJYKHOZSPJJ-GOSISDBHSA-N 1 0 359.514 2.184 20 30 FEEDRO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1C[C@H](c2cnn(C)c2)C2(C1)CCOCC2 ZINC000295115689 552960412 /nfs/dbraw/zinc/96/04/12/552960412.db2.gz JBMGDGXAHMEZQO-PKOBYXMFSA-N 1 0 374.529 2.429 20 30 FEEDRO Cn1c([C@H]2CCCCO2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000295831930 553065420 /nfs/dbraw/zinc/06/54/20/553065420.db2.gz CSAMTVUVTXJMJF-GOSISDBHSA-N 1 0 366.469 2.251 20 30 FEEDRO CC1(C)[C@H]([NH2+]CC(=O)Nc2c(C#N)cnn2-c2ccccc2)[C@@H]2CCO[C@H]21 ZINC000296089806 553103237 /nfs/dbraw/zinc/10/32/37/553103237.db2.gz HJJHQLAAEJETPM-CGTJXYLNSA-N 1 0 365.437 2.086 20 30 FEEDRO Cc1nc(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)ncc1[N+](=O)[O-] ZINC000296633296 553190845 /nfs/dbraw/zinc/19/08/45/553190845.db2.gz VVDFLJFVAJZBOT-UHFFFAOYSA-N 1 0 352.398 2.277 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)N[C@@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000296993249 553239576 /nfs/dbraw/zinc/23/95/76/553239576.db2.gz SSLFWUOKUVPBSX-SJORKVTESA-N 1 0 351.397 2.049 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@H](C)[S@@](=O)CC1)C(C)C ZINC000297013409 553242315 /nfs/dbraw/zinc/24/23/15/553242315.db2.gz HONNVOYWOKDCAD-SRGWNRLKSA-N 1 0 355.548 2.238 20 30 FEEDRO COc1ccc([C@@H]2CCN(C(=O)c3ccc(C#N)c(C)n3)C[C@@H]2[NH3+])cc1F ZINC000297263110 553270589 /nfs/dbraw/zinc/27/05/89/553270589.db2.gz RVBKZRATIZXZFL-RDJZCZTQSA-N 1 0 368.412 2.366 20 30 FEEDRO CCC[C@H]1CN(C(=O)Nc2snc(C)c2C#N)CC[N@@H+]1CCOC ZINC000297523430 553304008 /nfs/dbraw/zinc/30/40/08/553304008.db2.gz XBUWGWJYMNPBMO-ZDUSSCGKSA-N 1 0 351.476 2.288 20 30 FEEDRO N#Cc1cc([N+](=O)[O-])cnc1N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000503275982 561638753 /nfs/dbraw/zinc/63/87/53/561638753.db2.gz PLMZWZLNKKOXIX-UHFFFAOYSA-N 1 0 359.430 2.190 20 30 FEEDRO N#CC[C@@H]1CC[C@H](NC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2CO)C1 ZINC000298170522 553393401 /nfs/dbraw/zinc/39/34/01/553393401.db2.gz QPTLOOSQPGSZTN-OJAHFUOMSA-N 1 0 370.497 2.251 20 30 FEEDRO C[C@@H](C(=O)N(C)CCC#N)N(C)C[C@H](O)c1cccc(Br)c1 ZINC000298542554 553438083 /nfs/dbraw/zinc/43/80/83/553438083.db2.gz XPOPJOTYWMDADP-WFASDCNBSA-N 1 0 368.275 2.175 20 30 FEEDRO C=CCN1C(=S)N=NC1c1sc(NC(=O)C[NH+](CC)CC)nc1C ZINC000298772227 553470912 /nfs/dbraw/zinc/47/09/12/553470912.db2.gz GLOHUZHBURANGA-UHFFFAOYSA-N 1 0 366.516 2.465 20 30 FEEDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)N2CCC(C)(C#N)CC2)[C@@H](C)C1 ZINC000503898817 561649579 /nfs/dbraw/zinc/64/95/79/561649579.db2.gz BWUITSJPXGMWAL-DLBZAZTESA-N 1 0 350.507 2.459 20 30 FEEDRO C=CCN(CCc1ccccc1)C(=O)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000299253880 553537453 /nfs/dbraw/zinc/53/74/53/553537453.db2.gz ZFFJZASWPDWGDI-FQEVSTJZSA-N 1 0 369.509 2.331 20 30 FEEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000299305975 553545446 /nfs/dbraw/zinc/54/54/46/553545446.db2.gz ACRFCIJQYZTBEH-CQSZACIVSA-N 1 0 358.486 2.445 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N2CCC([N@@H+]3CCc4ccccc4C3)CC2)CC1 ZINC000299349431 553551476 /nfs/dbraw/zinc/55/14/76/553551476.db2.gz OSOJRFDLMZIGRF-UHFFFAOYSA-N 1 0 365.521 2.381 20 30 FEEDRO N#CCC[C@@H](C#N)CN1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000299590640 553585495 /nfs/dbraw/zinc/58/54/95/553585495.db2.gz SWDSYULCLIJVPQ-VQTJNVASSA-N 1 0 366.513 2.359 20 30 FEEDRO N#Cc1ccc(N2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)cc1C(F)(F)F ZINC000301906883 553691027 /nfs/dbraw/zinc/69/10/27/553691027.db2.gz AIPDWQDZULQAIK-MRXNPFEDSA-N 1 0 366.387 2.496 20 30 FEEDRO CC1CC[NH+](CCCNC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)CC1 ZINC000505470682 561671668 /nfs/dbraw/zinc/67/16/68/561671668.db2.gz DCZLHQZYESWHGF-IBGZPJMESA-N 1 0 351.491 2.486 20 30 FEEDRO Cc1csc(N2CCN(C(=O)NCC3CC[NH+](C4CC4)CC3)CC2)n1 ZINC000328599525 553794565 /nfs/dbraw/zinc/79/45/65/553794565.db2.gz CCTFZFLAPPABNH-UHFFFAOYSA-N 1 0 363.531 2.362 20 30 FEEDRO CC1CCC([NH+]2CCN(C(=O)NCC3([S@@](C)=O)CCC3)CC2)CC1 ZINC000328599093 553794814 /nfs/dbraw/zinc/79/48/14/553794814.db2.gz BRSIFXFAYMGYEV-KQPQDQJMSA-N 1 0 355.548 2.398 20 30 FEEDRO Cc1noc(C)c1C[C@H](C)NC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000328667471 553804744 /nfs/dbraw/zinc/80/47/44/553804744.db2.gz DDCYDQIRKZMXPB-WMLDXEAASA-N 1 0 364.490 2.181 20 30 FEEDRO O=C(C[NH2+][C@@H]1CCC(=O)NC12CCC2)NC[C@@H]1COc2ccccc2O1 ZINC000328722270 553812551 /nfs/dbraw/zinc/81/25/51/553812551.db2.gz XKRUGVKNGCSTMG-CZUORRHYSA-N 1 0 359.426 2.414 20 30 FEEDRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N[C@@H]2CCCC23CCOCC3)C1 ZINC000328784141 553821849 /nfs/dbraw/zinc/82/18/49/553821849.db2.gz KEWHQJWYIHYWJM-IAGOWNOFSA-N 1 0 353.507 2.196 20 30 FEEDRO C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@@H+]1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000328802654 553824806 /nfs/dbraw/zinc/82/48/06/553824806.db2.gz CGWJEAIRCQVVTC-VNQPRFMTSA-N 1 0 364.490 2.227 20 30 FEEDRO COCC[N@@H+]1CC[C@H](NC(=O)N2CC[C@@H](Oc3cccc(Cl)c3)C2)C1 ZINC000328810464 553825473 /nfs/dbraw/zinc/82/54/73/553825473.db2.gz DVSACURWYOWEPS-DOTOQJQBSA-N 1 0 367.877 2.428 20 30 FEEDRO O=C(C[N@H+]1CCC[C@H](O)CC1)NC1CCN(C(=O)C2CCCCC2)CC1 ZINC000328811528 553826145 /nfs/dbraw/zinc/82/61/45/553826145.db2.gz MTRITDQBZVZEGP-SFHVURJKSA-N 1 0 365.518 2.361 20 30 FEEDRO CC(C)[C@@H](CNC(=O)c1coc(C2CCOCC2)n1)N1CCOCC1 ZINC000328826136 553828476 /nfs/dbraw/zinc/82/84/76/553828476.db2.gz SOMKRIVSCXCFHR-MRXNPFEDSA-N 1 0 351.447 2.230 20 30 FEEDRO C[N@H+](CC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)[C@H]1CCSC1 ZINC000328896304 553840929 /nfs/dbraw/zinc/84/09/29/553840929.db2.gz BZMGHWUFVVCIKE-INIZCTEOSA-N 1 0 359.495 2.365 20 30 FEEDRO C[C@]1(O)CCOC[C@H]1[C@@H]1CCC[N@@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000328954681 553852950 /nfs/dbraw/zinc/85/29/50/553852950.db2.gz IOAYALHSYDSQRK-ZWOKBUDYSA-N 1 0 368.437 2.360 20 30 FEEDRO C[C@]1(O)CCOC[C@H]1[C@H]1CCC[N@@H+]1CC(=O)Nc1ccc2c(c1)OCO2 ZINC000328978061 553857558 /nfs/dbraw/zinc/85/75/58/553857558.db2.gz QQWJUZWWWLLRKD-KHYOSLBOSA-N 1 0 362.426 2.255 20 30 FEEDRO Cc1ncc(CNC(=O)N2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)s1 ZINC000329107409 553881341 /nfs/dbraw/zinc/88/13/41/553881341.db2.gz HYFQBWQPFBYCAV-HUUCEWRRSA-N 1 0 365.547 2.356 20 30 FEEDRO CCS(=O)(=O)N1CCC[C@H](C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000329136600 553887099 /nfs/dbraw/zinc/88/70/99/553887099.db2.gz CVUQFGRAPDFTFB-LSDHHAIUSA-N 1 0 357.520 2.022 20 30 FEEDRO COCc1cccc(CC(=O)NC2CC[NH+]([C@H]3CCN(C)C3=O)CC2)c1 ZINC000329160712 553892062 /nfs/dbraw/zinc/89/20/62/553892062.db2.gz FIHNNBJCEXONBD-SFHVURJKSA-N 1 0 359.470 2.027 20 30 FEEDRO CN1CC[C@@H]([NH+]2CCC(NC(=O)Cc3ccc4c(c3)CCC4)CC2)C1=O ZINC000329179726 553896880 /nfs/dbraw/zinc/89/68/80/553896880.db2.gz NNUHOESPSPWXBS-LJQANCHMSA-N 1 0 355.482 2.369 20 30 FEEDRO CN1CC[C@H]([NH+]2CCC(NC(=O)CNC(=O)CC3CCCC3)CC2)C1=O ZINC000329193084 553899531 /nfs/dbraw/zinc/89/95/31/553899531.db2.gz SGDQLMSJUDONCZ-INIZCTEOSA-N 1 0 364.490 2.175 20 30 FEEDRO C[NH+](C)C1(CNC(=O)N2CC[C@H](C(=O)N3CCCC3)C2)CCCCC1 ZINC000329220096 553905259 /nfs/dbraw/zinc/90/52/59/553905259.db2.gz SWECTVUGJSTTRW-INIZCTEOSA-N 1 0 350.507 2.109 20 30 FEEDRO CC1(C)C[C@H](NC(=O)NCC2([NH+]3CCCC3)CCOCC2)C(C)(C)O1 ZINC000329241449 553909444 /nfs/dbraw/zinc/90/94/44/553909444.db2.gz NOXGOSADHHUHRF-HNNXBMFYSA-N 1 0 353.507 2.481 20 30 FEEDRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)Nc1ccccc1CN1C(=O)CCC1=O ZINC000329250083 553910942 /nfs/dbraw/zinc/91/09/42/553910942.db2.gz AXNUWQRSDQBHDE-KRWDZBQOSA-N 1 0 372.469 2.153 20 30 FEEDRO CC(=O)Nc1ncc(S(=O)(=O)NC[C@H]2CCCn3cc(C)nc32)s1 ZINC000329254798 553911802 /nfs/dbraw/zinc/91/18/02/553911802.db2.gz DDINOHHGDPJDEG-LLVKDONJSA-N 1 0 369.472 2.112 20 30 FEEDRO CC(=O)NC[C@@H]1CCn2ncc(C(=O)NCC[N@H+]3CC=C(C)CC3)c2C1 ZINC000329259545 553912784 /nfs/dbraw/zinc/91/27/84/553912784.db2.gz ARAJHGNCYAOKES-MRXNPFEDSA-N 1 0 359.474 2.379 20 30 FEEDRO CC(C)[C@@H]1CN(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CCO1 ZINC000329301683 553921148 /nfs/dbraw/zinc/92/11/48/553921148.db2.gz WIHNFSFNGLJQQX-SQNIBIBYSA-N 1 0 353.507 2.025 20 30 FEEDRO CC(C)c1nnc2n1C[C@@H]([NH+]=C([O-])N(C)C1C[C@H]3CC[C@@H](C1)[N@H+]3C)CC2 ZINC000329319485 553924616 /nfs/dbraw/zinc/92/46/16/553924616.db2.gz DRKPMPANXDGMNX-LSVZVQIISA-N 1 0 360.506 2.187 20 30 FEEDRO CC(C)[C@@H]1CCN1C(=O)N[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1cncn1C ZINC000329318116 553924795 /nfs/dbraw/zinc/92/47/95/553924795.db2.gz IBYCAMAKRQPTJA-RVKKMQEKSA-N 1 0 359.474 2.259 20 30 FEEDRO Cn1nccc1[C@H]1[C@H](NC(=O)CC[C@H]2CCCC[N@@H+]2C)CCC(=O)N1C ZINC000329324620 553925154 /nfs/dbraw/zinc/92/51/54/553925154.db2.gz VQYXCLRRRFMAOA-SPYBWZPUSA-N 1 0 361.490 2.303 20 30 FEEDRO Cc1cn2c(n1)[C@H](CNC(=O)N[C@@H]1CCc3nnc(C(C)C)n3C1)CCC2 ZINC000329364005 553932316 /nfs/dbraw/zinc/93/23/16/553932316.db2.gz ZVZGGNSVCWSFOY-LSDHHAIUSA-N 1 0 371.489 2.302 20 30 FEEDRO COc1ccc2c(c1)OC[C@H](NC(=O)N1CC[C@H]([NH+]3CCCC3)[C@H]1C)C2 ZINC000329399950 553939159 /nfs/dbraw/zinc/93/91/59/553939159.db2.gz XPSMVQBBFTWDPI-KYJSFNMBSA-N 1 0 359.470 2.471 20 30 FEEDRO CC(C)CNC(=O)N1CCC[C@H](CC(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)C1 ZINC000329471904 553953157 /nfs/dbraw/zinc/95/31/57/553953157.db2.gz ZWIWSSLIOOPZNI-FGTMMUONSA-N 1 0 364.534 2.211 20 30 FEEDRO C[C@@H]1CN(C(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2ccnn2C)CCS1 ZINC000329474959 553953735 /nfs/dbraw/zinc/95/37/35/553953735.db2.gz NOOPHRYPPLHQQY-IJEWVQPXSA-N 1 0 351.520 2.154 20 30 FEEDRO C[C@@H]1C[C@H](NC(=O)[C@@H]2OCC(=O)N(C)[C@@H]2c2ccccc2)C[N@@H+]1C1CC1 ZINC000329529358 553962811 /nfs/dbraw/zinc/96/28/11/553962811.db2.gz TWGZXEUGMPZPMO-ALQDCCJHSA-N 1 0 357.454 2.167 20 30 FEEDRO Cc1ccc(N2CCC[C@H](NC(=O)NC[C@@H]3CCC[N@@H+](C(C)C)C3)C2)nn1 ZINC000329578023 553970578 /nfs/dbraw/zinc/97/05/78/553970578.db2.gz KLWAXJQBRSPIBC-ROUUACIJSA-N 1 0 374.533 2.378 20 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ZINC000329788953 554006500 /nfs/dbraw/zinc/00/65/00/554006500.db2.gz SCORRYOLGYGESN-JVPBZIDWSA-N 1 0 357.454 2.026 20 30 FEEDRO Cc1nc2ccc(NC(=O)NC3CC[NH+](CCOC(C)C)CC3)cn2n1 ZINC000329802117 554008575 /nfs/dbraw/zinc/00/85/75/554008575.db2.gz ZBXZOVUZUYCEFE-UHFFFAOYSA-N 1 0 360.462 2.253 20 30 FEEDRO CC(C)[N@@H+]1CCCN(C(=O)NC2CCN(c3nccs3)CC2)CC1 ZINC000329816811 554011692 /nfs/dbraw/zinc/01/16/92/554011692.db2.gz WGLVKRBWOZQTPZ-UHFFFAOYSA-N 1 0 351.520 2.442 20 30 FEEDRO C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1=O ZINC000329894537 554026430 /nfs/dbraw/zinc/02/64/30/554026430.db2.gz BLFFSIMZLOCXOH-OWYHZJEWSA-N 1 0 370.497 2.021 20 30 FEEDRO C[C@@H]1OCC[C@]12CN(C(=O)NC[C@@H](C1CCCCC1)[NH+](C)C)CCO2 ZINC000329899221 554027465 /nfs/dbraw/zinc/02/74/65/554027465.db2.gz FJAOVGQRDFGJER-IEZWGBDMSA-N 1 0 353.507 2.291 20 30 FEEDRO CCO[C@@H]1C[C@H](NC(=O)N2CCC[N@@H+](C(C)C)CC2)C12CCOCC2 ZINC000329915940 554031253 /nfs/dbraw/zinc/03/12/53/554031253.db2.gz 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Cc1cc(NC(=O)N[C@H](C)CC[NH+]2CCN(C)CC2)c(C#N)cc1N(C)C ZINC000332648953 554490607 /nfs/dbraw/zinc/49/06/07/554490607.db2.gz XZSPKCHYDZCTMM-MRXNPFEDSA-N 1 0 372.517 2.080 20 30 FEEDRO C[N@H+](CC1CC1)C[C@H]1CCN([C@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000333044653 554563721 /nfs/dbraw/zinc/56/37/21/554563721.db2.gz PGANEGISNDOYKB-WBVHZDCISA-N 1 0 358.511 2.389 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000333056406 554565697 /nfs/dbraw/zinc/56/56/97/554565697.db2.gz CMTZQBABXFQSRQ-JFRXWTBNSA-N 1 0 365.518 2.251 20 30 FEEDRO Cc1nc(C#N)c(N2CCC(C(=O)N(C)[C@H]3CC[N@@H+](C(C)C)C3)CC2)o1 ZINC000333759000 554640094 /nfs/dbraw/zinc/64/00/94/554640094.db2.gz OTORTAQKLAINFF-INIZCTEOSA-N 1 0 359.474 2.012 20 30 FEEDRO C=CCOC[C@H]1NC(=O)N(C[C@H]2CCC[N@H+](Cc3cccs3)C2)C1=O ZINC000348513878 554687608 /nfs/dbraw/zinc/68/76/08/554687608.db2.gz ONAOBSNRQIBHCF-GOEBONIOSA-N 1 0 363.483 2.083 20 30 FEEDRO C=CCOC[C@H]1NC(=O)N(C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)C1=O ZINC000348979457 554706944 /nfs/dbraw/zinc/70/69/44/554706944.db2.gz WVCLFNZZSGOPRK-RTBURBONSA-N 1 0 371.481 2.412 20 30 FEEDRO C=CCN([C@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)C[C@@H]1CCOC1 ZINC000359912232 554856500 /nfs/dbraw/zinc/85/65/00/554856500.db2.gz YTURMLCUVVQKFN-MOPGFXCFSA-N 1 0 364.511 2.115 20 30 FEEDRO C=CCOc1ccc(C[NH2+]C[C@H]2CCC[C@]23NC(=O)N(C)C3=O)cc1OC ZINC000360021277 554859800 /nfs/dbraw/zinc/85/98/00/554859800.db2.gz NFEPLRFOXMSTDY-QRWLVFNGSA-N 1 0 373.453 2.070 20 30 FEEDRO C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCC([C@@H]2c3ccccc3NC2=O)CC1 ZINC000360186522 554866052 /nfs/dbraw/zinc/86/60/52/554866052.db2.gz FSKVPCVZNRUDLE-KBXCAEBGSA-N 1 0 354.454 2.195 20 30 FEEDRO C=CCOCCCC(=O)Nc1ccccc1C(=O)N1CCC[N@@H+](C)CC1 ZINC000360489690 554877047 /nfs/dbraw/zinc/87/70/47/554877047.db2.gz QBYLUOLXPQYRLZ-UHFFFAOYSA-N 1 0 359.470 2.386 20 30 FEEDRO CN(C(=O)c1ccc(C2(C#N)CC2)cc1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000360617763 554882095 /nfs/dbraw/zinc/88/20/95/554882095.db2.gz IJKRUCCUTXEQFS-HXUWFJFHSA-N 1 0 366.509 2.482 20 30 FEEDRO N#CCCN(C(=O)CN1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1)c1ccccc1 ZINC000360925871 554895221 /nfs/dbraw/zinc/89/52/21/554895221.db2.gz HQHKOEAWDBZGNQ-HOJAQTOUSA-N 1 0 352.482 2.349 20 30 FEEDRO COc1ccc2c(c1)[C@H](C)C[N@@H+](CC(=O)N(CCC#N)CCC#N)CC2 ZINC000361190225 554909263 /nfs/dbraw/zinc/90/92/63/554909263.db2.gz KLZMUFKNJASNAW-MRXNPFEDSA-N 1 0 354.454 2.313 20 30 FEEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000361285608 554914788 /nfs/dbraw/zinc/91/47/88/554914788.db2.gz AQMGDKMMPNFDOT-MSOLQXFVSA-N 1 0 374.441 2.156 20 30 FEEDRO CN(C)C(=O)N1CCC([NH2+][C@H]2CCCN(c3ccc(C#N)cc3F)C2)CC1 ZINC000362263812 554959264 /nfs/dbraw/zinc/95/92/64/554959264.db2.gz XPKDTWFCGMEHTD-KRWDZBQOSA-N 1 0 373.476 2.402 20 30 FEEDRO N#Cc1ccc2nc(NC3CC[NH+](CC(=O)N4CCCC4)CC3)ccc2c1 ZINC000362363318 554966683 /nfs/dbraw/zinc/96/66/83/554966683.db2.gz XRQQACVQPHWAMQ-UHFFFAOYSA-N 1 0 363.465 2.605 20 30 FEEDRO COc1cc(/C=C/C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)ccc1OCC#N ZINC000363007284 555009044 /nfs/dbraw/zinc/00/90/44/555009044.db2.gz FXJOKFLKEZHBPP-PRPGUUAMSA-N 1 0 355.438 2.354 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N(C)C2CCN(c3ccccn3)CC2)CC1 ZINC000363009071 555009456 /nfs/dbraw/zinc/00/94/56/555009456.db2.gz LLMMWHYBZKJNOV-UHFFFAOYSA-N 1 0 357.502 2.342 20 30 FEEDRO C[C@@H](CNC(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1)C[NH+]1CCCC1 ZINC000363149849 555040988 /nfs/dbraw/zinc/04/09/88/555040988.db2.gz GWXVOGYZJRJUHJ-QFBILLFUSA-N 1 0 356.470 2.373 20 30 FEEDRO N#Cc1ccccc1N1CCC[C@H](NC(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000363187257 555048965 /nfs/dbraw/zinc/04/89/65/555048965.db2.gz JKYRNLGCDCGTKM-FHWLQOOXSA-N 1 0 367.497 2.453 20 30 FEEDRO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)c1ccc(C#N)nc1 ZINC000363320486 555077752 /nfs/dbraw/zinc/07/77/52/555077752.db2.gz CTQKVEPKHIKCMJ-UHFFFAOYSA-N 1 0 369.513 2.222 20 30 FEEDRO C[C@H](C(=O)NC1(C#N)CCCCC1)N1CCCN(C(=O)c2ccco2)CC1 ZINC000363380346 555089862 /nfs/dbraw/zinc/08/98/62/555089862.db2.gz JMISJHMVRPRKCU-MRXNPFEDSA-N 1 0 372.469 2.159 20 30 FEEDRO Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N3CCC(C[NH+](C)C)CC3)C2)n1 ZINC000363659111 555157260 /nfs/dbraw/zinc/15/72/60/555157260.db2.gz HAVHVQDKUYNWGG-IBGZPJMESA-N 1 0 369.513 2.278 20 30 FEEDRO N#Cc1ccc([C@H](O)C[N@@H+]2CCC[C@H](C(=O)Nc3ccccn3)C2)cc1 ZINC000363858154 555200901 /nfs/dbraw/zinc/20/09/01/555200901.db2.gz QYXFNFOIUSSFJY-ZWKOTPCHSA-N 1 0 350.422 2.337 20 30 FEEDRO N#CCCCOc1cccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000363944163 555218996 /nfs/dbraw/zinc/21/89/96/555218996.db2.gz KPLVQEZAAQAZPC-SJORKVTESA-N 1 0 370.453 2.051 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3N2c2ncccn2)CC1 ZINC000364088224 555247062 /nfs/dbraw/zinc/24/70/62/555247062.db2.gz WZZOCZJXMBFOIJ-UHOSZYNNSA-N 1 0 369.513 2.381 20 30 FEEDRO C#CCOc1ccccc1NC(=O)NC[C@H]1CCC[C@@H]1[NH+]1CCOCC1 ZINC000364325482 555291726 /nfs/dbraw/zinc/29/17/26/555291726.db2.gz PZXROMMCNJQNGR-AEFFLSMTSA-N 1 0 357.454 2.321 20 30 FEEDRO C[C@@H](NC(=O)[C@H]1CCC(=O)N1Cc1cccc(C#N)c1)C(C)(C)C[NH+](C)C ZINC000364517227 555327755 /nfs/dbraw/zinc/32/77/55/555327755.db2.gz ITMIDMWUNFUXFT-CRAIPNDOSA-N 1 0 370.497 2.142 20 30 FEEDRO Cc1cc(C#N)ccc1S(=O)(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000364570693 555341560 /nfs/dbraw/zinc/34/15/60/555341560.db2.gz QTFFZHJCKXCEIZ-HKUYNNGSSA-N 1 0 370.478 2.233 20 30 FEEDRO CCN(CCC#N)C(=O)C[N@H+]1[C@@H]2CC[C@H]1C[C@H](NC(=O)OC(C)(C)C)C2 ZINC000364597101 555348309 /nfs/dbraw/zinc/34/83/09/555348309.db2.gz DATMYJTUASLAHZ-PHZGNYQRSA-N 1 0 364.490 2.269 20 30 FEEDRO C=CCOc1ccc(C[NH2+]Cc2cnc(N3CCN(C)CC3)nc2)cc1 ZINC000512536912 561908563 /nfs/dbraw/zinc/90/85/63/561908563.db2.gz MGHHWQBXMDMDOO-UHFFFAOYSA-N 1 0 353.470 2.083 20 30 FEEDRO C[C@H]1CN(C2CC[NH+](CCC(=O)Nc3sccc3C#N)CC2)CCO1 ZINC000364729575 555387051 /nfs/dbraw/zinc/38/70/51/555387051.db2.gz IODHJOPKCYSWAA-AWEZNQCLSA-N 1 0 362.499 2.133 20 30 FEEDRO Cc1c(C#N)cccc1C(=O)N1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000512708087 561913155 /nfs/dbraw/zinc/91/31/55/561913155.db2.gz NBXFFTFJUCEMEQ-UHFFFAOYSA-N 1 0 354.498 2.497 20 30 FEEDRO Cn1ccc(N2CC[C@@H]([NH2+]Cc3cccn3Cc3ccccc3C#N)C2=O)n1 ZINC000364863091 555418263 /nfs/dbraw/zinc/41/82/63/555418263.db2.gz JIEVVXYYKYMJNB-LJQANCHMSA-N 1 0 374.448 2.037 20 30 FEEDRO C=CCNC(=O)NC(=O)C[NH2+][C@H](c1ccc(Cl)cc1)[C@H]1CCOC1 ZINC000364872779 555421796 /nfs/dbraw/zinc/42/17/96/555421796.db2.gz NNXVWFNOEFUXHL-XJKSGUPXSA-N 1 0 351.834 2.019 20 30 FEEDRO COc1ccc(CN2CCC[N@@H+]([C@@H](C)CO)CC2)cc1OCCCC#N ZINC000364924477 555438916 /nfs/dbraw/zinc/43/89/16/555438916.db2.gz UTEWPOCNBZLVAV-KRWDZBQOSA-N 1 0 361.486 2.266 20 30 FEEDRO CC(C)[NH+](CCNC(=O)[C@@H]1CCC(=O)N1Cc1cccc(C#N)c1)C(C)C ZINC000365090153 555483041 /nfs/dbraw/zinc/48/30/41/555483041.db2.gz SHYFVQPVHMAFRS-IBGZPJMESA-N 1 0 370.497 2.284 20 30 FEEDRO COc1ccc(-c2ccc(C[NH2+]CCn3cnc(C#N)n3)o2)c([N+](=O)[O-])c1 ZINC000512893366 561919036 /nfs/dbraw/zinc/91/90/36/561919036.db2.gz CAXUUFXZYWVIRW-UHFFFAOYSA-N 1 0 368.353 2.116 20 30 FEEDRO N#Cc1cccnc1N1CCC[N@H+](CC2CCC3(CC2)OCCO3)CC1 ZINC000365177160 555502348 /nfs/dbraw/zinc/50/23/48/555502348.db2.gz KEMYMYSLOCHXDK-UHFFFAOYSA-N 1 0 356.470 2.399 20 30 FEEDRO CN1C(=O)C[C@H]([NH2+]CC(=O)NC2(C#N)CCCCC2)[C@H]1c1ccc(F)cc1 ZINC000365192127 555506744 /nfs/dbraw/zinc/50/67/44/555506744.db2.gz VHFLVWRJPZAYED-QFBILLFUSA-N 1 0 372.444 2.030 20 30 FEEDRO C=CCOc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3CC(=O)N(C)C)cc1 ZINC000513001365 561922222 /nfs/dbraw/zinc/92/22/22/561922222.db2.gz FZCUWZCZGSAOBS-YQQQUEKLSA-N 1 0 357.498 2.425 20 30 FEEDRO N#Cc1ccc(-c2nnc(C[NH2+][C@@H]3CCCC[C@H]3N3CCOCC3)o2)cc1 ZINC000365617724 555623147 /nfs/dbraw/zinc/62/31/47/555623147.db2.gz CQXPOUSQDZXCEP-QZTJIDSGSA-N 1 0 367.453 2.341 20 30 FEEDRO N#Cc1ccc(N2CCC[C@H]([N@@H+]3[C@H](C(N)=O)C[C@H]4CCCC[C@@H]43)C2=O)cc1 ZINC000366090811 555748427 /nfs/dbraw/zinc/74/84/27/555748427.db2.gz ZBGMEGCSUNKIBD-BVBHFADKSA-N 1 0 366.465 2.172 20 30 FEEDRO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@H](NC(=O)C(C)C)C1 ZINC000513821412 561951431 /nfs/dbraw/zinc/95/14/31/561951431.db2.gz IKWGGLVCENYCOL-RBUKOAKNSA-N 1 0 360.498 2.391 20 30 FEEDRO CN1C(=O)C[C@@H]([NH2+]CC(=O)Nc2ccc(C#N)cc2)[C@H]1c1ccc(F)cc1 ZINC000366808584 555939252 /nfs/dbraw/zinc/93/92/52/555939252.db2.gz JKXRETALVGQKDP-YLJYHZDGSA-N 1 0 366.396 2.197 20 30 FEEDRO C=CCN1CC[C@H](N(C)CC(=O)N2CCc3sccc3[C@H]2CC)C1=O ZINC000366873498 555957013 /nfs/dbraw/zinc/95/70/13/555957013.db2.gz ZVJTUUVPSYQURV-CVEARBPZSA-N 1 0 361.511 2.303 20 30 FEEDRO Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N(C)CCC[NH+]3CCCC3)C2)n1 ZINC000366895475 555962632 /nfs/dbraw/zinc/96/26/32/555962632.db2.gz XTWZCCGFAFDMNH-IBGZPJMESA-N 1 0 369.513 2.422 20 30 FEEDRO C#CCNC(=O)C1CC[NH+](Cc2ccc(C)cc2-c2cnn(C)c2)CC1 ZINC000367121612 556001529 /nfs/dbraw/zinc/00/15/29/556001529.db2.gz QPSKJKCKELYBJX-UHFFFAOYSA-N 1 0 350.466 2.357 20 30 FEEDRO Cc1cc(C#N)nc(N(C)CCC2CC[NH+](C3CCN(C)CC3)CC2)n1 ZINC000367426692 556045651 /nfs/dbraw/zinc/04/56/51/556045651.db2.gz RCXQJJLITGLGSY-UHFFFAOYSA-N 1 0 356.518 2.289 20 30 FEEDRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@@]2(C#N)CCc3ccccc3C2)C1 ZINC000367569720 556085483 /nfs/dbraw/zinc/08/54/83/556085483.db2.gz KHOVIGZFQAGSLS-FPOVZHCZSA-N 1 0 355.482 2.158 20 30 FEEDRO Cn1cc([C@H]2[C@H](CNc3cc(N)c([N+](=O)[O-])c(C#N)c3)CCC[N@@H+]2C)cn1 ZINC000367732387 556125644 /nfs/dbraw/zinc/12/56/44/556125644.db2.gz ZIBJGIBSKYDJEE-YVEFUNNKSA-N 1 0 369.429 2.277 20 30 FEEDRO Cc1cc(C#N)cc(NC(=O)NC[C@@H]2C[C@H](F)CN2Cc2cnn(C)c2)c1 ZINC000514915986 561986473 /nfs/dbraw/zinc/98/64/73/561986473.db2.gz PWBLDXBKKGTBMC-WMZOPIPTSA-N 1 0 370.432 2.334 20 30 FEEDRO N#Cc1ccc(OC2CCN(C(=O)NCC3=CC[NH2+]CC3)CC2)c(F)c1 ZINC000514925508 561986979 /nfs/dbraw/zinc/98/69/79/561986979.db2.gz ZZFOHTIIQFIXLM-UHFFFAOYSA-N 1 0 358.417 2.170 20 30 FEEDRO N#Cc1ccc(N2CCC[C@@H](N3CC[NH+]([C@H]4CCSC4)CC3)C2=O)cc1 ZINC000367918763 556172334 /nfs/dbraw/zinc/17/23/34/556172334.db2.gz SFSPUVGGUQITPU-RBUKOAKNSA-N 1 0 370.522 2.177 20 30 FEEDRO CN(CCC#N)C[C@@H](O)C[NH2+][C@H]1CSc2ccc(Br)cc21 ZINC000515166437 561998683 /nfs/dbraw/zinc/99/86/83/561998683.db2.gz PCNSTMGUNKNYJK-JSGCOSHPSA-N 1 0 370.316 2.392 20 30 FEEDRO COc1ccc2c(c1)OCCC[C@H]2[NH2+]CCNC(=O)C1N=CC=CC1=O ZINC000368330001 556279633 /nfs/dbraw/zinc/27/96/33/556279633.db2.gz FRHULXAYMYLSDV-RAJOGRCSSA-N 1 0 357.410 2.025 20 30 FEEDRO COC(=O)[C@H](c1cccc(C#N)c1)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000368544531 556341167 /nfs/dbraw/zinc/34/11/67/556341167.db2.gz VLKXAQQLFIDWSS-FQEVSTJZSA-N 1 0 371.481 2.207 20 30 FEEDRO C#CC[C@H](Cc1ccccc1)NC(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000368615650 556363478 /nfs/dbraw/zinc/36/34/78/556363478.db2.gz AVWCYBVIDUAOSN-UXHICEINSA-N 1 0 368.525 2.089 20 30 FEEDRO CCC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1C[C@@H](O)COc1ccc(C#N)cc1 ZINC000368666137 556379326 /nfs/dbraw/zinc/37/93/26/556379326.db2.gz CJTPZUPPDPTOOP-MISYRCLQSA-N 1 0 371.481 2.163 20 30 FEEDRO Cn1cc(C#N)cc1C(=O)NC1CCN(Cc2nc3ccccc3[nH]2)CC1 ZINC000368881362 556437456 /nfs/dbraw/zinc/43/74/56/556437456.db2.gz YDTWEDDQPYSISG-UHFFFAOYSA-N 1 0 362.437 2.167 20 30 FEEDRO C=CCN(C(=O)N[C@H](C)c1nncn1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000368924140 556449719 /nfs/dbraw/zinc/44/97/19/556449719.db2.gz HWWFTGKTLBSHQQ-AEFFLSMTSA-N 1 0 368.485 2.348 20 30 FEEDRO N#Cc1cccnc1OC1CCC(NC(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000515620861 562017495 /nfs/dbraw/zinc/01/74/95/562017495.db2.gz MRSMWZOICGPSAJ-SEEUUAMPSA-N 1 0 371.485 2.460 20 30 FEEDRO N#Cc1ccc(OC[C@@H](O)C[NH2+][C@H]2CCN(c3ccc(F)cc3)C2)cc1 ZINC000515638008 562017951 /nfs/dbraw/zinc/01/79/51/562017951.db2.gz NGVFTFOBOGFFMQ-HKUYNNGSSA-N 1 0 355.413 2.306 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2ccc(-n3ccnc3)nc2)CC1 ZINC000369041873 556486032 /nfs/dbraw/zinc/48/60/32/556486032.db2.gz OHDSTUIOKREDKP-UHFFFAOYSA-N 1 0 354.458 2.107 20 30 FEEDRO CC[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)C(=O)Nc1ccc(CC#N)cc1 ZINC000369523964 556619686 /nfs/dbraw/zinc/61/96/86/556619686.db2.gz YBYZLEUHJQWRMW-QZTJIDSGSA-N 1 0 354.454 2.166 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)[C@@H]2CC(=O)N([C@H](C)c3ccccc3)C2)CC1 ZINC000370015011 556758237 /nfs/dbraw/zinc/75/82/37/556758237.db2.gz BFAYNPGKODYWHJ-IEBWSBKVSA-N 1 0 367.493 2.200 20 30 FEEDRO C[N@H+](CCC(=O)Nc1ccc(C#N)cc1)C1CCN(c2ncccn2)CC1 ZINC000370083168 556776258 /nfs/dbraw/zinc/77/62/58/556776258.db2.gz NZLDMIJCEPSPLM-UHFFFAOYSA-N 1 0 364.453 2.278 20 30 FEEDRO CN1CCN(S(=O)(=O)c2ccc(C#N)c(F)c2)C[C@@H]1Cc1ccccc1 ZINC000516614673 562050553 /nfs/dbraw/zinc/05/05/53/562050553.db2.gz JHAYCVYAMBIREE-KRWDZBQOSA-N 1 0 373.453 2.245 20 30 FEEDRO CC(C)n1nccc1NC(=O)[C@@H](C)N1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000370738216 556953814 /nfs/dbraw/zinc/95/38/14/556953814.db2.gz JPZFOGONFHKTLA-ZBFHGGJFSA-N 1 0 368.441 2.211 20 30 FEEDRO CC[NH+](CC)CCOc1ccc(C(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1 ZINC000371000545 557041232 /nfs/dbraw/zinc/04/12/32/557041232.db2.gz QHHDBFPSGNDUMD-LJQANCHMSA-N 1 0 370.497 2.220 20 30 FEEDRO C=C(C)[C@H](CC(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1)OCC ZINC000371063436 557063084 /nfs/dbraw/zinc/06/30/84/557063084.db2.gz OUURDSFGQLJFFD-SFHVURJKSA-N 1 0 351.535 2.424 20 30 FEEDRO N#Cc1cccc(F)c1CC(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000517252208 562082851 /nfs/dbraw/zinc/08/28/51/562082851.db2.gz MMECWUJSKYPKSB-SFHVURJKSA-N 1 0 367.424 2.123 20 30 FEEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000371228714 557113296 /nfs/dbraw/zinc/11/32/96/557113296.db2.gz HRZHPFAUQQIFFM-CRAIPNDOSA-N 1 0 356.470 2.199 20 30 FEEDRO C[C@H](C(=O)N(C)CCC#N)N1CC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000371450474 557190197 /nfs/dbraw/zinc/19/01/97/557190197.db2.gz LQBASGQBZPAVSF-TZMCWYRMSA-N 1 0 370.375 2.314 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)[C@@H](NC(=O)NCc2ccccc2)C(C)C)CC1 ZINC000517987517 562101946 /nfs/dbraw/zinc/10/19/46/562101946.db2.gz ICQNALCSDQWRPI-IBGZPJMESA-N 1 0 372.513 2.277 20 30 FEEDRO C#CCOc1ccc(C(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)cc1 ZINC000371762714 557285995 /nfs/dbraw/zinc/28/59/95/557285995.db2.gz NWNHIPYIVSNJMV-FXAWDEMLSA-N 1 0 366.465 2.245 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)[C@@H]2CCCCN2C(=O)C2CCCC2)CC1 ZINC000371824948 557304485 /nfs/dbraw/zinc/30/44/85/557304485.db2.gz OMRBMZKMMQEECW-IBGZPJMESA-N 1 0 359.514 2.162 20 30 FEEDRO COC(=O)c1cn([C@@H]2CC[N@H+](Cc3ccccc3C(C)(C)C#N)C2)nn1 ZINC000371846509 557310431 /nfs/dbraw/zinc/31/04/31/557310431.db2.gz OZKDBCSWXYCHLC-OAHLLOKOSA-N 1 0 353.426 2.313 20 30 FEEDRO C[NH+]1CCC(C#N)(NC(=O)C2CCN(c3nc4ccccc4o3)CC2)CC1 ZINC000518817150 562119235 /nfs/dbraw/zinc/11/92/35/562119235.db2.gz BYUMFQKMDRAQRK-UHFFFAOYSA-N 1 0 367.453 2.148 20 30 FEEDRO C=CCN1C(=O)c2ccc(C(=O)NC[C@H](C)Cn3ccnc3C)cc2C1=O ZINC000518871488 562120031 /nfs/dbraw/zinc/12/00/31/562120031.db2.gz SLFRQXCBINRNHD-ZDUSSCGKSA-N 1 0 366.421 2.040 20 30 FEEDRO N#Cc1ccc(NC(=O)CC[N@@H+]2CC[C@@]3(C2)C(=O)Nc2ccccc23)cc1 ZINC000372355003 557448667 /nfs/dbraw/zinc/44/86/67/557448667.db2.gz FAGWPEOTWOWAKB-NRFANRHFSA-N 1 0 360.417 2.483 20 30 FEEDRO C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1NCC(=O)Nc1sccc1C#N ZINC000372360894 557449735 /nfs/dbraw/zinc/44/97/35/557449735.db2.gz XQTAKGZBFYDTPI-BMFZPTHFSA-N 1 0 362.499 2.037 20 30 FEEDRO CC[N@@H+]1CCC[C@H](NC(=O)Nc2cc(C)n(-c3cccc(C#N)c3)n2)C1 ZINC000372370976 557452607 /nfs/dbraw/zinc/45/26/07/557452607.db2.gz VDFQLVOUFOCJIX-INIZCTEOSA-N 1 0 352.442 2.658 20 30 FEEDRO CN(C)C(=O)COc1cccc(C[NH2+][C@@H]2CCC[C@@H]3O[C@@H](CC#N)C[C@@H]32)c1 ZINC000373222592 557652981 /nfs/dbraw/zinc/65/29/81/557652981.db2.gz CZYDHEKTDIMDLZ-NMLBUPMWSA-N 1 0 371.481 2.483 20 30 FEEDRO CN1CCC([N@@H+]2CC[C@@H](NC(=O)c3ccc(C(C)(C)C#N)cc3)C2)CC1 ZINC000373511149 557708368 /nfs/dbraw/zinc/70/83/68/557708368.db2.gz WRUZUTBQALLEAS-GOSISDBHSA-N 1 0 354.498 2.386 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000373837106 557770167 /nfs/dbraw/zinc/77/01/67/557770167.db2.gz VWLXFJYUULKWOF-MOPGFXCFSA-N 1 0 365.518 2.112 20 30 FEEDRO N#Cc1ccccc1N1CCCN(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000373932653 557790379 /nfs/dbraw/zinc/79/03/79/557790379.db2.gz IQIINQUCPJWVQQ-MOPGFXCFSA-N 1 0 367.497 2.407 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N[C@H]2CC(=O)N(Cc3ccccc3)[C@@H]2C)CC1 ZINC000373948175 557794019 /nfs/dbraw/zinc/79/40/19/557794019.db2.gz AGUAEWNYBGDIAE-APWZRJJASA-N 1 0 370.497 2.126 20 30 FEEDRO C=CCN1CC[C@@H]([N@@H+](C)[C@H]2CCN(c3cc(OC)cc(OC)c3)C2)C1=O ZINC000374110058 557825219 /nfs/dbraw/zinc/82/52/19/557825219.db2.gz URHXHSLMQTYVPU-HNAYVOBHSA-N 1 0 359.470 2.001 20 30 FEEDRO Cn1cc([C@H]2[C@H](CNC(=O)NCC3CCC(C#N)CC3)CCC[N@@H+]2C)cn1 ZINC000374143360 557831276 /nfs/dbraw/zinc/83/12/76/557831276.db2.gz MCFKPNQRZKXBGI-BXNZUYAZSA-N 1 0 372.517 2.432 20 30 FEEDRO C=CCN1CC[C@H](N(C)Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1=O ZINC000374185530 557839619 /nfs/dbraw/zinc/83/96/19/557839619.db2.gz DIQSFFXODIFLGI-NRFANRHFSA-N 1 0 370.541 2.436 20 30 FEEDRO CCCCNC(=O)[C@H]1CC[C@H](C)[N@H+](CC(=O)NCc2cccc(C#N)c2)C1 ZINC000521186783 562171261 /nfs/dbraw/zinc/17/12/61/562171261.db2.gz SSVCXOIQNDVBCJ-LPHOPBHVSA-N 1 0 370.497 2.191 20 30 FEEDRO CC(=O)Nc1c[nH]nc1[C@@H]1CCC[N@H+](C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000374827943 557937085 /nfs/dbraw/zinc/93/70/85/557937085.db2.gz ORMWYKJEKNPXTI-SJLPKXTDSA-N 1 0 353.426 2.153 20 30 FEEDRO Cc1cccc(N(CCC#N)C(=O)C[NH2+][C@H]2CCC(=O)NC23CCC3)c1C ZINC000374856271 557941668 /nfs/dbraw/zinc/94/16/68/557941668.db2.gz NQRMCELEOHXYIY-SFHVURJKSA-N 1 0 368.481 2.341 20 30 FEEDRO N#CC1(NC(=O)CCOC[C@@H]2CCCO2)CC[NH+](Cc2ccccc2)CC1 ZINC000374882122 557945371 /nfs/dbraw/zinc/94/53/71/557945371.db2.gz PMESYEBHMNOXRO-IBGZPJMESA-N 1 0 371.481 2.247 20 30 FEEDRO C[N@@H+]1CC[C@H]2CCN(CCC(=O)Nc3sc4c(c3C#N)CCC4)C[C@H]21 ZINC000375021480 557965467 /nfs/dbraw/zinc/96/54/67/557965467.db2.gz OUCBTEGHWWPHKJ-XJKSGUPXSA-N 1 0 358.511 2.463 20 30 FEEDRO CN1CC[C@@H]([NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)[C@H]1c1ccccc1 ZINC000375070838 557973559 /nfs/dbraw/zinc/97/35/59/557973559.db2.gz JZPOWZVPUNXWKC-WOJBJXKFSA-N 1 0 369.490 2.367 20 30 FEEDRO C=CCNC(=O)NC(=O)[C@@H](C)NC[C@H]1CCC[N@H+](C)[C@@H]1c1ccccc1 ZINC000375459709 558030906 /nfs/dbraw/zinc/03/09/06/558030906.db2.gz LMLANGCEKKXEGM-KBAYOESNSA-N 1 0 358.486 2.059 20 30 FEEDRO N#Cc1ccc(NC(=O)CC[NH2+][C@@H]2CCCC[C@@H]2N2CCOCC2)cc1 ZINC000375467121 558032452 /nfs/dbraw/zinc/03/24/52/558032452.db2.gz AZSOVLIIEPSEQL-MOPGFXCFSA-N 1 0 356.470 2.120 20 30 FEEDRO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)N2CCC[N@@H+]([C@@H](C)CO)CC2)cc1 ZINC000375492834 558037056 /nfs/dbraw/zinc/03/70/56/558037056.db2.gz GNJNMBQPGQVRSL-RBUKOAKNSA-N 1 0 372.513 2.019 20 30 FEEDRO C=CCN1CC[C@@H](N(C)C(=O)NC2CC[NH+](C3CCCCC3)CC2)C1=O ZINC000375645388 558061479 /nfs/dbraw/zinc/06/14/79/558061479.db2.gz RVDWVISCMNXJJL-GOSISDBHSA-N 1 0 362.518 2.212 20 30 FEEDRO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCC[C@@H]1[NH2+]CCn1cnc(C#N)n1 ZINC000376122723 558129662 /nfs/dbraw/zinc/12/96/62/558129662.db2.gz LDXURHGNXVWVQR-HRCADAONSA-N 1 0 374.489 2.308 20 30 FEEDRO C[NH+](C)CCCNC(=O)C1CCN(c2c(F)cc(C#N)cc2F)CC1 ZINC000376349289 558161528 /nfs/dbraw/zinc/16/15/28/558161528.db2.gz IJTLAWNNMPUUBB-UHFFFAOYSA-N 1 0 350.413 2.121 20 30 FEEDRO C=C(C)COc1cc(C[NH2+]CCS(=O)(=O)NC(C)(C)C)ccc1OC ZINC000521848731 562184812 /nfs/dbraw/zinc/18/48/12/562184812.db2.gz VACBKYDIALAJHY-UHFFFAOYSA-N 1 0 370.515 2.458 20 30 FEEDRO CC(C)(CCC#N)CNC(=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000377033158 558253897 /nfs/dbraw/zinc/25/38/97/558253897.db2.gz SSGBHMVKXQOZGH-OALUTQOASA-N 1 0 372.513 2.499 20 30 FEEDRO CC(C)(CCC#N)CNC(=O)NC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000377034519 558254077 /nfs/dbraw/zinc/25/40/77/558254077.db2.gz PJYDDSYLXLXEED-QZTJIDSGSA-N 1 0 358.486 2.251 20 30 FEEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CC[C@H](CC(N)=O)C2)c1 ZINC000377490134 558350047 /nfs/dbraw/zinc/35/00/47/558350047.db2.gz KQOOTEAOBSILOR-IAGOWNOFSA-N 1 0 356.470 2.136 20 30 FEEDRO COc1ccc(C[NH+]2CCC(C(=O)Nc3nncs3)CC2)cc1C#N ZINC000377706989 558401982 /nfs/dbraw/zinc/40/19/82/558401982.db2.gz UYIHACAUFCMIDS-UHFFFAOYSA-N 1 0 357.439 2.269 20 30 FEEDRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(S(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000377851390 558434975 /nfs/dbraw/zinc/43/49/75/558434975.db2.gz SWSQDSTXYHVYRI-GOSISDBHSA-N 1 0 355.463 2.453 20 30 FEEDRO CCc1nc(CN2C[C@@H]3C[N@@H+](Cc4cc(C#N)ccc4OC)C[C@@H]3C2)no1 ZINC000378216942 558504492 /nfs/dbraw/zinc/50/44/92/558504492.db2.gz KYUTVKITCYYBRB-CALCHBBNSA-N 1 0 367.453 2.076 20 30 FEEDRO CCCNC(=O)CCCC(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000378497899 558570266 /nfs/dbraw/zinc/57/02/66/558570266.db2.gz SGYXNSSXBNUWBM-UHFFFAOYSA-N 1 0 370.497 2.357 20 30 FEEDRO C[C@@H](C[NH2+]C[C@H](O)COc1ccc(C#N)cc1)N(C)Cc1ccccc1 ZINC000390655006 558611561 /nfs/dbraw/zinc/61/15/61/558611561.db2.gz FXKKYPKFKZYNIK-PXNSSMCTSA-N 1 0 353.466 2.408 20 30 FEEDRO CCN(CCC#N)S(=O)(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000409534291 558700988 /nfs/dbraw/zinc/70/09/88/558700988.db2.gz JGZXJNUKJAROSI-UHFFFAOYSA-N 1 0 364.515 2.242 20 30 FEEDRO CCN(C[C@H](C)C#N)S(=O)(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000409531914 558701027 /nfs/dbraw/zinc/70/10/27/558701027.db2.gz ATPLNWJRTVPRRQ-MRXNPFEDSA-N 1 0 364.515 2.098 20 30 FEEDRO CCN(C[C@H](C)C#N)S(=O)(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000409597137 558706713 /nfs/dbraw/zinc/70/67/13/558706713.db2.gz RULATBMWRCRPOF-MRXNPFEDSA-N 1 0 366.531 2.343 20 30 FEEDRO CCN(C[C@@H](C)C#N)S(=O)(=O)NC[C@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000410099351 558738336 /nfs/dbraw/zinc/73/83/36/558738336.db2.gz LJXIZXOWDYUEDT-GOEBONIOSA-N 1 0 368.503 2.041 20 30 FEEDRO C=CCN1C(=O)c2ccc(C(=O)N(C)[C@@H]3CC[N@@H+](CC)[C@H](C)C3)cc2C1=O ZINC000525397239 562247480 /nfs/dbraw/zinc/24/74/80/562247480.db2.gz MNYFZILFORCYOI-GDBMZVCRSA-N 1 0 369.465 2.413 20 30 FEEDRO C[NH+](C)CCN(Cc1ccsc1)C(=O)C(=O)Nc1ccc(C#N)cc1 ZINC000411698864 558946444 /nfs/dbraw/zinc/94/64/44/558946444.db2.gz VHVGDRIZIDUPSV-UHFFFAOYSA-N 1 0 356.451 2.149 20 30 FEEDRO C[C@@H](NC(=O)C[C@@H](CC#N)c1ccccc1)C(=O)NCC[NH+]1CCCCC1 ZINC000412325870 559027809 /nfs/dbraw/zinc/02/78/09/559027809.db2.gz YOXMAAGIOGMUNV-IEBWSBKVSA-N 1 0 370.497 2.181 20 30 FEEDRO Cc1oc(C#N)cc1C(=O)NCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000412773812 559055440 /nfs/dbraw/zinc/05/54/40/559055440.db2.gz NPMMZHFFJASLMD-UHFFFAOYSA-N 1 0 353.422 2.217 20 30 FEEDRO Cc1cc(N2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)c(C#N)cc1[N+](=O)[O-] ZINC000413217092 559089398 /nfs/dbraw/zinc/08/93/98/559089398.db2.gz XGQOTINGUVNBIS-WBVHZDCISA-N 1 0 357.458 2.237 20 30 FEEDRO C[C@@H](C(=O)OC(C)(C)C)C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000413258067 559092851 /nfs/dbraw/zinc/09/28/51/559092851.db2.gz DKGAGBGIQAOTEO-OAHLLOKOSA-N 1 0 359.470 2.426 20 30 FEEDRO CN(CCC#N)C[C@H](O)CN1CC(OCc2cccc3ccccc32)C1 ZINC000414154722 559151100 /nfs/dbraw/zinc/15/11/00/559151100.db2.gz UCIFPQYVELLWHK-IBGZPJMESA-N 1 0 353.466 2.247 20 30 FEEDRO Cc1cc(NS(=O)(=O)c2cnc(C)c(C#N)c2)ccc1OCC[NH+](C)C ZINC000414389369 559160824 /nfs/dbraw/zinc/16/08/24/559160824.db2.gz QMJXEQGVOLHDQG-UHFFFAOYSA-N 1 0 374.466 2.311 20 30 FEEDRO N#Cc1cccc(COc2cccc(C[N@@H+]3CC[C@@H](O)[C@H](CO)C3)c2)c1 ZINC000414556054 559171236 /nfs/dbraw/zinc/17/12/36/559171236.db2.gz JEEHUHOXRHIIMR-PZJWPPBQSA-N 1 0 352.434 2.312 20 30 FEEDRO CC1(C#N)CCN(C(=O)C(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)CC1 ZINC000415042375 559202080 /nfs/dbraw/zinc/20/20/80/559202080.db2.gz QQYKPXQIBDUQOQ-UHFFFAOYSA-N 1 0 368.359 2.255 20 30 FEEDRO C[C@@H](NC(=O)C(=O)Nc1sc(C(C)(C)C)cc1C#N)[C@H]1CCC[NH2+]C1 ZINC000415360452 559227440 /nfs/dbraw/zinc/22/74/40/559227440.db2.gz ZHUPTILYEYIITP-NEPJUHHUSA-N 1 0 362.499 2.360 20 30 FEEDRO N#CCCCOc1cccc(NC(=O)C(=O)NC[C@@H]([NH3+])c2ccccc2)c1 ZINC000415396920 559231062 /nfs/dbraw/zinc/23/10/62/559231062.db2.gz VCVUVGIWELNRFJ-GOSISDBHSA-N 1 0 366.421 2.124 20 30 FEEDRO N#Cc1ccc(NC(=O)C(=O)NCC[C@@H]2CCC[NH2+]C2)cc1C(F)(F)F ZINC000415409814 559232661 /nfs/dbraw/zinc/23/26/61/559232661.db2.gz UCYOFLHETRRHMT-NSHDSACASA-N 1 0 368.359 2.021 20 30 FEEDRO C[NH2+]CCC1CCN(C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CC1 ZINC000415437788 559236972 /nfs/dbraw/zinc/23/69/72/559236972.db2.gz LDLXTFVILRBJJT-UHFFFAOYSA-N 1 0 370.432 2.736 20 30 FEEDRO C[C@@H]1C[C@H](NC(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)CC[NH2+]1 ZINC000415445497 559237794 /nfs/dbraw/zinc/23/77/94/559237794.db2.gz GUQRFRLSRKYPDC-BXUZGUMPSA-N 1 0 358.833 2.659 20 30 FEEDRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000415446318 559237996 /nfs/dbraw/zinc/23/79/96/559237996.db2.gz HBKPDXGEQNEISW-QGZVFWFLSA-N 1 0 366.421 2.389 20 30 FEEDRO C[C@@H]1C[C@H](NC(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)CC[NH2+]1 ZINC000415456515 559239138 /nfs/dbraw/zinc/23/91/38/559239138.db2.gz KQHKZLVAYMEULW-DGCLKSJQSA-N 1 0 358.833 2.659 20 30 FEEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000415469926 559240647 /nfs/dbraw/zinc/24/06/47/559240647.db2.gz XKAQEHPUHKVMBT-MCIONIFRSA-N 1 0 360.483 2.073 20 30 FEEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000415473170 559241176 /nfs/dbraw/zinc/24/11/76/559241176.db2.gz CBIHBMAVNVSQIX-ZNMIVQPWSA-N 1 0 372.494 2.230 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N[C@H]2CCCN(C3CCCCC3)C2=O)CC1 ZINC000527197976 562279968 /nfs/dbraw/zinc/27/99/68/562279968.db2.gz NRSAAYYUKWLPSS-SFHVURJKSA-N 1 0 362.518 2.260 20 30 FEEDRO C[C@@H]1CN(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)[C@@H](C)C[NH2+]1 ZINC000415562100 559249959 /nfs/dbraw/zinc/24/99/59/559249959.db2.gz OINBOMNOANSIJL-CABCVRRESA-N 1 0 369.469 2.484 20 30 FEEDRO N#CCCSc1ccccc1NC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000415579265 559251951 /nfs/dbraw/zinc/25/19/51/559251951.db2.gz JZPHTLCUOOXPMC-SOUVJXGZSA-N 1 0 372.494 2.217 20 30 FEEDRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)Nc1ccccc1C#Cc1ccccc1 ZINC000415660708 559259184 /nfs/dbraw/zinc/25/91/84/559259184.db2.gz PUNJKPDKOXXSRY-VQIMIIECSA-N 1 0 361.445 2.139 20 30 FEEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000415685483 559261792 /nfs/dbraw/zinc/26/17/92/559261792.db2.gz GVMFZTAOAPQUMH-UGSOOPFHSA-N 1 0 360.483 2.217 20 30 FEEDRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000415753870 559267841 /nfs/dbraw/zinc/26/78/41/559267841.db2.gz YRJKTSFSPFRSPR-UGSOOPFHSA-N 1 0 364.405 2.237 20 30 FEEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000415767336 559269329 /nfs/dbraw/zinc/26/93/29/559269329.db2.gz MPWGXRXWHHKJMG-RBSFLKMASA-N 1 0 372.494 2.087 20 30 FEEDRO CN(C(=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1)C1CC([NH3+])C1 ZINC000415798005 559271997 /nfs/dbraw/zinc/27/19/97/559271997.db2.gz AVQQUJIOTAPIIM-UHFFFAOYSA-N 1 0 364.405 2.237 20 30 FEEDRO N#CCCSc1ccccc1NC(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000415833948 559276460 /nfs/dbraw/zinc/27/64/60/559276460.db2.gz IHVZXFPTOOJKIU-HNNXBMFYSA-N 1 0 360.483 2.265 20 30 FEEDRO C[C@@H]1CN(C(=O)C(=O)Nc2ccccc2SCCC#N)C[C@@]1(C)C[NH3+] ZINC000415840588 559277210 /nfs/dbraw/zinc/27/72/10/559277210.db2.gz MMWVMIFQCKDICX-FZKQIMNGSA-N 1 0 360.483 2.074 20 30 FEEDRO COc1cc(NC(=O)c2cc(C)c(C#N)cn2)ccc1OCC[NH+](C)C ZINC000416335655 559306405 /nfs/dbraw/zinc/30/64/05/559306405.db2.gz VYJUVGMQVBWNQG-UHFFFAOYSA-N 1 0 354.410 2.463 20 30 FEEDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000416684751 559329530 /nfs/dbraw/zinc/32/95/30/559329530.db2.gz LRNNGTVMXFFVLB-IEBWSBKVSA-N 1 0 356.470 2.346 20 30 FEEDRO O=C(NCC#Cc1cccc(C(F)(F)F)c1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000416939532 559339370 /nfs/dbraw/zinc/33/93/70/559339370.db2.gz CVGUXKYGCBBCIH-HUUCEWRRSA-N 1 0 351.372 2.308 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCNC[C@H]1c1cccnc1)C(C)C ZINC000417061770 559346269 /nfs/dbraw/zinc/34/62/69/559346269.db2.gz LGORUGZVHYRSFZ-UXHICEINSA-N 1 0 371.529 2.436 20 30 FEEDRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)C1 ZINC000417577224 559367416 /nfs/dbraw/zinc/36/74/16/559367416.db2.gz LOTMZBRLVRWYCD-XIRDDKMYSA-N 1 0 373.476 2.435 20 30 FEEDRO N#Cc1ccc(N2CCC[C@H](NC(=O)N3CCCC[C@@H]3C[NH3+])C2)c(F)c1 ZINC000417577492 559367436 /nfs/dbraw/zinc/36/74/36/559367436.db2.gz LSCSSMQILPPVHN-JKSUJKDBSA-N 1 0 359.449 2.189 20 30 FEEDRO CC(C)[C@H]([NH3+])CCN(C)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000418012112 559386425 /nfs/dbraw/zinc/38/64/25/559386425.db2.gz RSQOZUNIDPSLNQ-QZTJIDSGSA-N 1 0 371.485 2.068 20 30 FEEDRO N#Cc1ccccc1N1CCN(C(=O)N[C@@H](C[NH3+])C2CCCCC2)CC1 ZINC000418368462 559399259 /nfs/dbraw/zinc/39/92/59/559399259.db2.gz RZHCXFMNZRAGEP-SFHVURJKSA-N 1 0 355.486 2.297 20 30 FEEDRO N#Cc1cccc(NC(=O)C2CCN(C(=O)NC3CCC([NH3+])CC3)CC2)c1 ZINC000418393743 559400013 /nfs/dbraw/zinc/40/00/13/559400013.db2.gz YIJNTAQLINHDGI-UHFFFAOYSA-N 1 0 369.469 2.188 20 30 FEEDRO CC(C)C[C@H](C[NH3+])NC(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000418435353 559401496 /nfs/dbraw/zinc/40/14/96/559401496.db2.gz GDQXKGKEURMBNV-OAHLLOKOSA-N 1 0 363.893 2.417 20 30 FEEDRO N#Cc1cccc(NC(=O)C2CCN(C(=O)N[C@H]3CCC[C@@H]([NH3+])C3)CC2)c1 ZINC000418570636 559406635 /nfs/dbraw/zinc/40/66/35/559406635.db2.gz DBHZJNNHEKCCAI-AEFFLSMTSA-N 1 0 369.469 2.188 20 30 FEEDRO C[C@@H]1C[C@H](NC(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)CC[NH2+]1 ZINC000418605901 559407704 /nfs/dbraw/zinc/40/77/04/559407704.db2.gz PYCKRYXELNZVMT-RDTXWAMCSA-N 1 0 369.469 2.059 20 30 FEEDRO N#Cc1c(F)cccc1N1CCN(C(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000418738916 559413381 /nfs/dbraw/zinc/41/33/81/559413381.db2.gz ZSPIXOAZMSWXCO-LSDHHAIUSA-N 1 0 359.449 2.046 20 30 FEEDRO CC(C)c1ccc([C@H]([NH3+])CNC(=O)C(=O)NCc2cccc(C#N)c2)cc1 ZINC000419082215 559427528 /nfs/dbraw/zinc/42/75/28/559427528.db2.gz TYGJFWHHNYZNPW-LJQANCHMSA-N 1 0 364.449 2.114 20 30 FEEDRO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1Cc1cc(C#N)ccc1Br ZINC000419348530 559438976 /nfs/dbraw/zinc/43/89/76/559438976.db2.gz XRCBWBLUVMATQP-STQMWFEESA-N 1 0 352.276 2.208 20 30 FEEDRO C=C(C)[C@@H](NC(=O)C(=O)NCC[C@H]1CCC[NH2+]C1)c1ccc(F)c(F)c1 ZINC000419669940 559452902 /nfs/dbraw/zinc/45/29/02/559452902.db2.gz BTXORAFTNLAVKL-CXAGYDPISA-N 1 0 365.424 2.204 20 30 FEEDRO C=C(C)[C@H](NC(=O)C(=O)N[C@H](C[NH3+])CCCC)c1ccc(F)c(F)c1 ZINC000419678568 559453496 /nfs/dbraw/zinc/45/34/96/559453496.db2.gz OJHYETHXTADHHA-BBRMVZONSA-N 1 0 353.413 2.332 20 30 FEEDRO C=CCC[C@@H]1NC(=O)N(C[C@H](C)[NH+]2CCN(c3ccccc3)CC2)C1=O ZINC000419919521 559464537 /nfs/dbraw/zinc/46/45/37/559464537.db2.gz AYHPLPALWWSLRV-WMZOPIPTSA-N 1 0 356.470 2.084 20 30 FEEDRO C=C(C)CN(Cc1ccccc1)C(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000420196597 559476232 /nfs/dbraw/zinc/47/62/32/559476232.db2.gz APGYUPBYYOYOGP-GUDVDZBRSA-N 1 0 355.482 2.096 20 30 FEEDRO CN(C[C@@H]1CCC[N@@H+]1C)S(=O)(=O)c1cccc(Br)c1C#N ZINC000420734524 559501150 /nfs/dbraw/zinc/50/11/50/559501150.db2.gz JIRKRSHMRAQZSB-NSHDSACASA-N 1 0 372.288 2.035 20 30 FEEDRO C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000420812715 559505937 /nfs/dbraw/zinc/50/59/37/559505937.db2.gz XKFCEUFMJFPCLX-GOSISDBHSA-N 1 0 357.498 2.281 20 30 FEEDRO CCOC(=O)c1c(NC(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c(C#N)cn1CC ZINC000421164267 559527928 /nfs/dbraw/zinc/52/79/28/559527928.db2.gz KHHDXWCRFXLVTB-GJZGRUSLSA-N 1 0 373.457 2.305 20 30 FEEDRO CCOC(=O)c1c(NC(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)c(C#N)cn1CC ZINC000421172322 559528585 /nfs/dbraw/zinc/52/85/85/559528585.db2.gz JLXUSLXHMJUASV-DZGCQCFKSA-N 1 0 373.457 2.114 20 30 FEEDRO CCOC(=O)c1c(NC(=O)N(C)C[C@H]2CCC[N@@H+]2C)c(C#N)cn1CC ZINC000421181932 559529474 /nfs/dbraw/zinc/52/94/74/559529474.db2.gz KDDCYIOFELOFFK-CQSZACIVSA-N 1 0 361.446 2.114 20 30 FEEDRO C=CCn1c(C2CC2)nnc1N1CCC[N@@H+](C2CCN(CC)CC2)CC1 ZINC000421264394 559534412 /nfs/dbraw/zinc/53/44/12/559534412.db2.gz DWMOGDIHZNRKBT-UHFFFAOYSA-N 1 0 358.534 2.338 20 30 FEEDRO N#Cc1ccc(C[NH2+]C[C@@H](O)COc2ccc3c(c2)CCC(=O)N3)cc1F ZINC000421326952 559539246 /nfs/dbraw/zinc/53/92/46/559539246.db2.gz PCMOIOUHUYLNRB-MRXNPFEDSA-N 1 0 369.396 2.112 20 30 FEEDRO CC(C)NC(=O)c1cnn2c1C[C@H](C[NH2+]Cc1ccc(C#N)c(F)c1)CC2 ZINC000421394773 559541035 /nfs/dbraw/zinc/54/10/35/559541035.db2.gz PVODWTCHMYLOJO-OAHLLOKOSA-N 1 0 369.444 2.384 20 30 FEEDRO Cc1ccc(C#N)c(N2CCC[C@H](C(=O)NC3CCC([NH+](C)C)CC3)C2)n1 ZINC000421680896 559549229 /nfs/dbraw/zinc/54/92/29/559549229.db2.gz UXXUVDGEFNIGSG-VIQWUECVSA-N 1 0 369.513 2.467 20 30 FEEDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 ZINC000421710877 559550471 /nfs/dbraw/zinc/55/04/71/559550471.db2.gz MTSPDYXYEPPZRP-GDBMZVCRSA-N 1 0 374.872 2.117 20 30 FEEDRO C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000422301040 559576961 /nfs/dbraw/zinc/57/69/61/559576961.db2.gz WBAYHCKEJDQNPH-RTBURBONSA-N 1 0 369.509 2.423 20 30 FEEDRO CC(C)(CC#N)CNC(=O)C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000422473362 559590480 /nfs/dbraw/zinc/59/04/80/559590480.db2.gz BOGOOFUBTXRNMG-UHFFFAOYSA-N 1 0 362.518 2.157 20 30 FEEDRO C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N1CCC[N@@H+](C(C)C)CC1 ZINC000422533228 559593261 /nfs/dbraw/zinc/59/32/61/559593261.db2.gz WSZFKVNGADLLQB-LJQANCHMSA-N 1 0 357.498 2.233 20 30 FEEDRO C[C@@H](C(=O)NC1(C#N)CCC1)N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000527299132 562284223 /nfs/dbraw/zinc/28/42/23/562284223.db2.gz XUKGIYLPPYGEHG-QWHCGFSZSA-N 1 0 369.391 2.490 20 30 FEEDRO C=C(C)CN(Cc1ccccc1)C(=O)C(=O)N1CCC(C[NH2+]CC)CC1 ZINC000423361420 559626566 /nfs/dbraw/zinc/62/65/66/559626566.db2.gz GQRMUWXKJGDYDT-UHFFFAOYSA-N 1 0 357.498 2.439 20 30 FEEDRO N#CCCC[C@H]([NH3+])C(=O)N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000424098484 559654724 /nfs/dbraw/zinc/65/47/24/559654724.db2.gz CVFPZWSFGLDCNC-LSDHHAIUSA-N 1 0 366.259 2.370 20 30 FEEDRO C=CCn1c(CCc2ccco2)nnc1N1CC[NH+](C(C)(C)COC)CC1 ZINC000424135984 559655833 /nfs/dbraw/zinc/65/58/33/559655833.db2.gz KCQSBNQYBLETMY-UHFFFAOYSA-N 1 0 373.501 2.389 20 30 FEEDRO CN1CC[C@H](NC(=O)[C@H]([NH3+])CCCC#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000424178700 559656943 /nfs/dbraw/zinc/65/69/43/559656943.db2.gz XETFZSKUXOLPEK-OWCLPIDISA-N 1 0 352.841 2.362 20 30 FEEDRO C=CCCn1cc(C(=O)NC[C@H](CC)[N@@H+]2CCc3ccccc3C2)nn1 ZINC000424581825 559670108 /nfs/dbraw/zinc/67/01/08/559670108.db2.gz HWVAMWMOANKALM-SFHVURJKSA-N 1 0 353.470 2.421 20 30 FEEDRO C=CCC1(C(=O)N2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)CCOCC1 ZINC000424635151 559671786 /nfs/dbraw/zinc/67/17/86/559671786.db2.gz ZFKQGNQVBOXEMU-RTBURBONSA-N 1 0 363.546 2.376 20 30 FEEDRO C=CCC1(C(=O)NC[C@@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)CCOCC1 ZINC000424759824 559675889 /nfs/dbraw/zinc/67/58/89/559675889.db2.gz WNKSZEUSGVTHJG-OALUTQOASA-N 1 0 358.482 2.111 20 30 FEEDRO C=CCCn1cc(C(=O)N[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)nn1 ZINC000424778346 559676360 /nfs/dbraw/zinc/67/63/60/559676360.db2.gz DYRGJXBUKUPLHY-SJLPKXTDSA-N 1 0 353.470 2.495 20 30 FEEDRO Cc1cc(NCc2cccc(C(=O)NC[C@@H]3CCCO3)c2)c(C#N)cn1 ZINC000425217563 559691851 /nfs/dbraw/zinc/69/18/51/559691851.db2.gz VBKVGXLMSGYVOL-SFHVURJKSA-N 1 0 350.422 2.205 20 30 FEEDRO C=CCn1cc(CNC(=O)NC[C@H](CC)[N@@H+]2CCc3ccccc3C2)nn1 ZINC000425395959 559700106 /nfs/dbraw/zinc/70/01/06/559700106.db2.gz OPJFKUFUXIDKHI-IBGZPJMESA-N 1 0 368.485 2.100 20 30 FEEDRO C=CCn1cc(CNC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)nn1 ZINC000425470323 559703955 /nfs/dbraw/zinc/70/39/55/559703955.db2.gz FMOKRGADDOINJG-LPHOPBHVSA-N 1 0 368.485 2.174 20 30 FEEDRO C=CCn1cc(CNC(=O)NCC[C@H](C)[N@H+](C)Cc2ccccc2)nn1 ZINC000425471983 559704237 /nfs/dbraw/zinc/70/42/37/559704237.db2.gz HVYFXYUDPNCVRF-INIZCTEOSA-N 1 0 356.474 2.174 20 30 FEEDRO C[C@H](c1cccc(C#N)c1)N(C)C(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1 ZINC000425503219 559706155 /nfs/dbraw/zinc/70/61/55/559706155.db2.gz RPAYQMDEQDPNLC-DLBZAZTESA-N 1 0 357.502 2.287 20 30 FEEDRO COCC(C)(C)[NH+]1CCN([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)CC1 ZINC000425507476 559706621 /nfs/dbraw/zinc/70/66/21/559706621.db2.gz RAFXFMITXJLMOP-AWEZNQCLSA-N 1 0 362.474 2.138 20 30 FEEDRO C=CCn1cc(CNC(=O)NC[C@@H](c2ccc(SC)cc2)[NH+](C)C)nn1 ZINC000425765569 559718455 /nfs/dbraw/zinc/71/84/55/559718455.db2.gz HVFOSGBRWRKULO-KRWDZBQOSA-N 1 0 374.514 2.288 20 30 FEEDRO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)NCCC[NH+]1CCCCC1 ZINC000425870787 559723581 /nfs/dbraw/zinc/72/35/81/559723581.db2.gz WRESSWZSNKHRFW-INIZCTEOSA-N 1 0 356.470 2.070 20 30 FEEDRO C[C@H](C[NH+]1CCCCCC1)NC(=O)C(=O)N(C)[C@H](C)c1cccc(C#N)c1 ZINC000425891003 559724279 /nfs/dbraw/zinc/72/42/79/559724279.db2.gz OIFHJHBHJFGXCY-IAGOWNOFSA-N 1 0 370.497 2.458 20 30 FEEDRO COC(=O)C1CCC([NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000426044029 559728326 /nfs/dbraw/zinc/72/83/26/559728326.db2.gz QUZVXFRSFMVPBT-LEOMRAHMSA-N 1 0 355.438 2.375 20 30 FEEDRO C=C[C@H]1CCCCN1C(=O)C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1 ZINC000427707998 559760710 /nfs/dbraw/zinc/76/07/10/559760710.db2.gz VDCKEZIHDXDLNE-KRWDZBQOSA-N 1 0 372.469 2.082 20 30 FEEDRO COCCCN(C(=O)c1ncc(C#N)cc1Cl)C1CC[NH+](C)CC1 ZINC000427724743 559760940 /nfs/dbraw/zinc/76/09/40/559760940.db2.gz ASTFERULGKPFJN-UHFFFAOYSA-N 1 0 350.850 2.180 20 30 FEEDRO COC(=O)c1ccccc1CC[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000428790221 559783528 /nfs/dbraw/zinc/78/35/28/559783528.db2.gz QNDDMGDZRHHGNS-QGZVFWFLSA-N 1 0 351.406 2.436 20 30 FEEDRO C[C@@H]1C[C@@H]1[N@@H+]1CCN([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C[C@@H](C)C1 ZINC000429019509 559788849 /nfs/dbraw/zinc/78/88/49/559788849.db2.gz JNKUVQHNZFLHMN-SMOSDQRPSA-N 1 0 352.482 2.326 20 30 FEEDRO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](C(=O)N(C)c2ccccc2)C1 ZINC000430310091 559817565 /nfs/dbraw/zinc/81/75/65/559817565.db2.gz YHFQVRPBBJHKCX-WWMYMODYSA-N 1 0 370.497 2.414 20 30 FEEDRO N#CCC1(CNC(=O)NCc2ccccc2C[N@H+]2CCC[C@H]2CO)CC1 ZINC000430911183 559830040 /nfs/dbraw/zinc/83/00/40/559830040.db2.gz GKPBVILAIYACJV-SFHVURJKSA-N 1 0 356.470 2.136 20 30 FEEDRO Cc1[nH]nc(NC(=O)c2ccc(CN3C[C@@H](C)O[C@@H](C)C3)cc2)c1C#N ZINC000431444381 559839316 /nfs/dbraw/zinc/83/93/16/559839316.db2.gz JXPSNOFDDALECT-BETUJISGSA-N 1 0 353.426 2.451 20 30 FEEDRO N#CCCC[C@H](NC(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O)c1ccccc1 ZINC000431931125 559848717 /nfs/dbraw/zinc/84/87/17/559848717.db2.gz MRURDLBLFNVNJB-ROUUACIJSA-N 1 0 371.485 2.061 20 30 FEEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)c1ncn([C@H]2CCC[NH2+]C2)n1 ZINC000433393258 559879684 /nfs/dbraw/zinc/87/96/84/559879684.db2.gz CECHHQJSYQSENI-INIZCTEOSA-N 1 0 355.442 2.040 20 30 FEEDRO CCOCC[C@@H](O)C[NH+]1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000434634724 559904178 /nfs/dbraw/zinc/90/41/78/559904178.db2.gz TVKWCISFMJFBGN-QGZVFWFLSA-N 1 0 354.454 2.016 20 30 FEEDRO CC[NH+]1CCC(NS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)CC1 ZINC000435154323 559917286 /nfs/dbraw/zinc/91/72/86/559917286.db2.gz RZJUEVIXOOZMCN-UHFFFAOYSA-N 1 0 361.389 2.340 20 30 FEEDRO COc1cc(NC(C)=O)ccc1NC(=O)N(CCC#N)CCC[NH+](C)C ZINC000435547253 559924942 /nfs/dbraw/zinc/92/49/42/559924942.db2.gz CRVHKBBGSMVFDK-UHFFFAOYSA-N 1 0 361.446 2.353 20 30 FEEDRO C=CCc1ccccc1OC[C@@H](O)C[NH2+][C@]1(CO)CCOc2ccccc21 ZINC000440481792 560011834 /nfs/dbraw/zinc/01/18/34/560011834.db2.gz BYSYUFAPYKILGH-AVRDEDQJSA-N 1 0 369.461 2.415 20 30 FEEDRO CNC(=O)[C@H](Cc1c[nH]c2ccccc12)[NH2+]Cc1ccc(C#N)c(OC)c1 ZINC000440809960 560018685 /nfs/dbraw/zinc/01/86/85/560018685.db2.gz BRBNLMQZFLJJIL-IBGZPJMESA-N 1 0 362.433 2.495 20 30 FEEDRO Cc1cc(C[NH2+]CCNS(=O)(=O)c2ccc(F)cc2F)ccc1C#N ZINC000441365293 560029966 /nfs/dbraw/zinc/02/99/66/560029966.db2.gz KKQFDDLOUGXCMX-UHFFFAOYSA-N 1 0 365.405 2.213 20 30 FEEDRO Cc1cccc(S(=O)(=O)NCC2([NH+](C)C)Cc3ccccc3C2)c1C#N ZINC000443242270 560076006 /nfs/dbraw/zinc/07/60/06/560076006.db2.gz BRCDEUSOYQODDO-UHFFFAOYSA-N 1 0 369.490 2.244 20 30 FEEDRO CC(C)(O)C[NH+]1CCN(C(=O)c2cn(CCCC#N)c3ccccc23)CC1 ZINC000444182182 560104666 /nfs/dbraw/zinc/10/46/66/560104666.db2.gz KIQUWKJGGLBLHJ-UHFFFAOYSA-N 1 0 368.481 2.474 20 30 FEEDRO C=CC[C@H]1[N@@H+](CC(=O)c2c(N)n(C3CC3)c(=O)[nH]c2=O)CCCC1(C)C ZINC000444783581 560120781 /nfs/dbraw/zinc/12/07/81/560120781.db2.gz LFDRPLVXCIBACS-CQSZACIVSA-N 1 0 360.458 2.115 20 30 FEEDRO C[NH+](C)CCc1ccccc1N[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1=O ZINC000445485398 560132489 /nfs/dbraw/zinc/13/24/89/560132489.db2.gz YDBGOEONJSKSIR-LJQANCHMSA-N 1 0 362.433 2.406 20 30 FEEDRO N#Cc1ccc(NC(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)cc1Cl ZINC000446462045 560146180 /nfs/dbraw/zinc/14/61/80/560146180.db2.gz HCUBZYYBTVRILT-UHFFFAOYSA-N 1 0 360.845 2.141 20 30 FEEDRO CC[C@H]([NH2+]CCN1CCN(c2ncccn2)CC1)c1ccc(C#N)cc1 ZINC000447539054 560164133 /nfs/dbraw/zinc/16/41/33/560164133.db2.gz FJAGPXRZVFUCIK-IBGZPJMESA-N 1 0 350.470 2.211 20 30 FEEDRO N#C[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)C1 ZINC000447588434 560164951 /nfs/dbraw/zinc/16/49/51/560164951.db2.gz UKVOIFGIQGYTAD-LMCOJAPRSA-N 1 0 352.482 2.257 20 30 FEEDRO CC[NH+](CC)CCNC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 ZINC000448554281 560189875 /nfs/dbraw/zinc/18/98/75/560189875.db2.gz GKYJXCCPPZVWHS-AWEZNQCLSA-N 1 0 362.861 2.023 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)NCc1ccccc1CN1CC[NH+](CC)CC1 ZINC000448695467 560194835 /nfs/dbraw/zinc/19/48/35/560194835.db2.gz XFLJZQAMZDHSIN-UXHICEINSA-N 1 0 357.498 2.031 20 30 FEEDRO C[C@@H]1CN(C(=O)COc2ccc(C#N)c(Br)c2)C[C@H]1[NH+](C)C ZINC000449985667 560247144 /nfs/dbraw/zinc/24/71/44/560247144.db2.gz MPJULFATWHRTJJ-IAQYHMDHSA-N 1 0 366.259 2.108 20 30 FEEDRO COc1cccc([C@@H](CNc2nc3c(cc2C#N)COCC3)[NH+](C)C)c1 ZINC000450214545 560254143 /nfs/dbraw/zinc/25/41/43/560254143.db2.gz KHDNWBBMRMXPBK-LJQANCHMSA-N 1 0 352.438 2.749 20 30 FEEDRO C[C@H]1C[N@@H+](C2CCN(c3ncc(Br)cc3C#N)CC2)CCO1 ZINC000450262846 560256238 /nfs/dbraw/zinc/25/62/38/560256238.db2.gz UYVUVOKDTIFHFZ-LBPRGKRZSA-N 1 0 365.275 2.405 20 30 FEEDRO C=CC[N@H+](C[C@H]1CCNC(=O)CC1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000450392711 560261010 /nfs/dbraw/zinc/26/10/10/560261010.db2.gz NPXLCJWHWKLBFV-JKSUJKDBSA-N 1 0 354.458 2.128 20 30 FEEDRO N#CCc1ccc(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)c(Cl)c1 ZINC000451052898 560284719 /nfs/dbraw/zinc/28/47/19/560284719.db2.gz FZOWOMWWGPSLBJ-HUUCEWRRSA-N 1 0 353.875 2.311 20 30 FEEDRO CC(=O)N1CCC[N@H+](C[C@H]2CCCN(Cc3ccc(C#N)c(F)c3)C2)CC1 ZINC000451524165 560311822 /nfs/dbraw/zinc/31/18/22/560311822.db2.gz BQNBTJKJHGWQAE-LJQANCHMSA-N 1 0 372.488 2.464 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000451604817 560317047 /nfs/dbraw/zinc/31/70/47/560317047.db2.gz BUJDDZXUIUEDNA-YUELXQCFSA-N 1 0 360.223 2.261 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]CCCS(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000451679259 560321532 /nfs/dbraw/zinc/32/15/32/560321532.db2.gz YNPJBRYJMGZYMN-MSOLQXFVSA-N 1 0 366.483 2.132 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]CCC(=O)Nc1ccc(C(N)=O)c(Cl)c1 ZINC000451685946 560321861 /nfs/dbraw/zinc/32/18/61/560321861.db2.gz YQURDFOMCLHYCS-CABCVRRESA-N 1 0 351.834 2.091 20 30 FEEDRO C=CCn1c([C@H](C)OCCOC)nnc1N1CC[NH+]([C@@H](C)CC)CC1 ZINC000453430566 560386397 /nfs/dbraw/zinc/38/63/97/560386397.db2.gz DKDUXLVAHGYILU-HOTGVXAUSA-N 1 0 351.495 2.109 20 30 FEEDRO C=C(C)Cn1c([C@@H](C)OCCOC)nnc1N1CC[NH+]([C@@H](C)CC)CC1 ZINC000453450827 560387009 /nfs/dbraw/zinc/38/70/09/560387009.db2.gz IEZSCVWHZRGYJI-DLBZAZTESA-N 1 0 365.522 2.499 20 30 FEEDRO C[NH+](C)CCN(Cc1ccccc1)C(=O)C(=O)Nc1cccc(CC#N)c1 ZINC000453587578 560389887 /nfs/dbraw/zinc/38/98/87/560389887.db2.gz KNAMFVSLDQUEKI-UHFFFAOYSA-N 1 0 364.449 2.282 20 30 FEEDRO C[C@@H]1CCC[C@](CNC(=O)C(=O)Nc2cccc(CC#N)c2)([NH+](C)C)C1 ZINC000453600449 560390608 /nfs/dbraw/zinc/39/06/08/560390608.db2.gz FGDHTXIDRWBNJT-QRWLVFNGSA-N 1 0 356.470 2.318 20 30 FEEDRO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1sc(C(C)(C)C)cc1C#N)C1CC1 ZINC000453650609 560393505 /nfs/dbraw/zinc/39/35/05/560393505.db2.gz XAVIVDDZLMJQDC-ZDUSSCGKSA-N 1 0 362.499 2.312 20 30 FEEDRO CC(C)[C@H]1CCc2c(C#N)c(NC(=O)C(=O)NCCN3CCC3)sc2C1 ZINC000453671033 560395373 /nfs/dbraw/zinc/39/53/73/560395373.db2.gz LRZGOTOGWBLBLT-ZDUSSCGKSA-N 1 0 374.510 2.141 20 30 FEEDRO CC(C)[NH+](CCN(C)C(=O)C(=O)Nc1cnc(C#N)c(Cl)c1)C(C)C ZINC000453703225 560398078 /nfs/dbraw/zinc/39/80/78/560398078.db2.gz QHKUYTXNOBDOIA-UHFFFAOYSA-N 1 0 365.865 2.122 20 30 FEEDRO C[C@@H](NC(=O)C(=O)Nc1cccc(CC#N)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000453704795 560398186 /nfs/dbraw/zinc/39/81/86/560398186.db2.gz TXMYZMQXEGKAQD-NVXWUHKLSA-N 1 0 368.481 2.460 20 30 FEEDRO CN(CC[NH+]1CCCC1)C(=O)C(=O)Nc1sc(C(C)(C)C)cc1C#N ZINC000453710629 560398682 /nfs/dbraw/zinc/39/86/82/560398682.db2.gz PGJZDWJRFRJFED-UHFFFAOYSA-N 1 0 362.499 2.410 20 30 FEEDRO CC(C)CN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(CC#N)cc1Cl ZINC000453722459 560399618 /nfs/dbraw/zinc/39/96/18/560399618.db2.gz UCRKHLDURIATSC-UHFFFAOYSA-N 1 0 364.877 2.391 20 30 FEEDRO N#Cc1ccc(OC(F)F)c(NC(=O)NC[C@@H]2CCCC[N@H+]2CCO)c1 ZINC000454711155 560455250 /nfs/dbraw/zinc/45/52/50/560455250.db2.gz JCXSDVCFNFUSOG-ZDUSSCGKSA-N 1 0 368.384 2.128 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1NC(=O)NCCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000454757784 560457034 /nfs/dbraw/zinc/45/70/34/560457034.db2.gz KGPNKGUUYMIQPD-UXHICEINSA-N 1 0 373.497 2.346 20 30 FEEDRO CC(C)(C[NH+]1CCCC1)NC(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 ZINC000455106576 560470457 /nfs/dbraw/zinc/47/04/57/560470457.db2.gz SBNKNNBIRYZAJI-UHFFFAOYSA-N 1 0 370.432 2.879 20 30 FEEDRO N#CCc1ccc(NC(=O)NC[C@H]2CCC[N@H+]2CCCO)c(Cl)c1 ZINC000455734875 560493306 /nfs/dbraw/zinc/49/33/06/560493306.db2.gz PXVUQCFOTIDKEQ-CQSZACIVSA-N 1 0 350.850 2.374 20 30 FEEDRO CC1CC[NH+](C[C@@H](O)CNC(=O)C(C)(C)Cc2ccc(C#N)cc2)CC1 ZINC000455973023 560502781 /nfs/dbraw/zinc/50/27/81/560502781.db2.gz PCKOCMIUVANERK-IBGZPJMESA-N 1 0 357.498 2.336 20 30 FEEDRO C=CCN1C(=O)c2ccc(C(=O)NC(C)(C)CCC[NH+](C)C)cc2C1=O ZINC000456203694 560510979 /nfs/dbraw/zinc/51/09/79/560510979.db2.gz OAIVMOHBWFHICB-UHFFFAOYSA-N 1 0 357.454 2.319 20 30 FEEDRO C[C@@H]1CN(C(=O)CCCCOc2cccc(C#N)c2)C[C@H](C)[N@H+]1CCO ZINC000456211334 560511409 /nfs/dbraw/zinc/51/14/09/560511409.db2.gz NUUPXHDWMGVSIE-CALCHBBNSA-N 1 0 359.470 2.021 20 30 FEEDRO C=C(C)[C@H]1OCCC[C@H]1C(=O)N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000457651896 560579982 /nfs/dbraw/zinc/57/99/82/560579982.db2.gz AERAEKTXCLDEFT-WOJBJXKFSA-N 1 0 363.546 2.375 20 30 FEEDRO CN(CC(C)(C)C#N)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000458704394 560642101 /nfs/dbraw/zinc/64/21/01/560642101.db2.gz AKXFHWOPSJMPDG-SFHVURJKSA-N 1 0 358.486 2.469 20 30 FEEDRO C[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)c1cc[nH]c(=O)c1 ZINC000458827594 560650774 /nfs/dbraw/zinc/65/07/74/560650774.db2.gz JGOWLHFOXBKADT-HNNXBMFYSA-N 1 0 367.453 2.493 20 30 FEEDRO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1C[C@@H](C(=O)OC)[C@@H](c2ccccc2)C1 ZINC000459554857 560693892 /nfs/dbraw/zinc/69/38/92/560693892.db2.gz PBYPZIIMWGKZII-BHIYHBOVSA-N 1 0 356.466 2.464 20 30 FEEDRO C=CCN(CCc1ccccc1)C(=O)C(=O)N(C)C[C@H]1CCC[N@H+]1CC ZINC000460054687 560732004 /nfs/dbraw/zinc/73/20/04/560732004.db2.gz DNFFNISTFOGRPN-LJQANCHMSA-N 1 0 357.498 2.186 20 30 FEEDRO C=C(C)Cn1c([C@H](C)OCCOC)nnc1N1C[C@@H](C)[N@H+](CC)C[C@@H]1C ZINC000460563387 560746377 /nfs/dbraw/zinc/74/63/77/560746377.db2.gz VHAGOEHYQDQKCW-IKGGRYGDSA-N 1 0 365.522 2.497 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N(CCC)CCN1CC[NH+](CC)CC1 ZINC000460754698 560750933 /nfs/dbraw/zinc/75/09/33/560750933.db2.gz CIEXYVCKYLMADK-OALUTQOASA-N 1 0 366.550 2.027 20 30 FEEDRO C=CCN1C(=O)c2ccc(C(=O)N[C@H](C)C[N@@H+](CC)CCC)cc2C1=O ZINC000461620541 560777389 /nfs/dbraw/zinc/77/73/89/560777389.db2.gz WZOHMYLGYFCNGW-CQSZACIVSA-N 1 0 357.454 2.319 20 30 FEEDRO N#C[C@H]1CCC[C@H]1NC(=O)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000461785885 560783418 /nfs/dbraw/zinc/78/34/18/560783418.db2.gz DDIXIBAOQDZHOI-SJLPKXTDSA-N 1 0 354.454 2.419 20 30 FEEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cnn(-c3ncccc3C#N)c2)C[C@@H]1C ZINC000462087807 560796322 /nfs/dbraw/zinc/79/63/22/560796322.db2.gz FBNSTINESUNMSL-YOEHRIQHSA-N 1 0 367.457 2.475 20 30 FEEDRO CCC[NH+]1CCC(NC(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1 ZINC000462103849 560797409 /nfs/dbraw/zinc/79/74/09/560797409.db2.gz PHNLRUJBZISPLZ-UHFFFAOYSA-N 1 0 353.430 2.135 20 30 FEEDRO C[C@H](CNC(=O)N1CC(Oc2ccc(C#N)cc2)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000462128996 560798251 /nfs/dbraw/zinc/79/82/51/560798251.db2.gz OTQJGUCLYYIDAF-HZPDHXFCSA-N 1 0 356.470 2.451 20 30 FEEDRO C=CCN(C(=O)C1CC[NH+](C)CC1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000469133840 560947939 /nfs/dbraw/zinc/94/79/39/560947939.db2.gz HPAGYBNBRWTOFR-HNNXBMFYSA-N 1 0 354.458 2.080 20 30 FEEDRO C=CCN(C(=O)C1CC[NH+](C)CC1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000469133945 560948027 /nfs/dbraw/zinc/94/80/27/560948027.db2.gz HPAGYBNBRWTOFR-OAHLLOKOSA-N 1 0 354.458 2.080 20 30 FEEDRO CCOC(=O)[C@@](C)(C[NH2+][C@@H](C)C(=O)NC1(C#N)CCC1)c1ccccc1 ZINC000469276878 560951540 /nfs/dbraw/zinc/95/15/40/560951540.db2.gz WOGICVRWUGSGCW-KXBFYZLASA-N 1 0 357.454 2.048 20 30 FEEDRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)c1cn(CCCC#N)c2ccccc12 ZINC000469367726 560953392 /nfs/dbraw/zinc/95/33/92/560953392.db2.gz QEZAYDUFCWWUCW-QGZVFWFLSA-N 1 0 367.497 2.311 20 30 FEEDRO C[C@H](CO)[N@@H+]1CCCN(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CC1 ZINC000470412173 560981051 /nfs/dbraw/zinc/98/10/51/560981051.db2.gz TYNZFBIEQWPKOA-GFCCVEGCSA-N 1 0 370.375 2.497 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccc3[nH]c(C(=O)NC)cc3c2)CC1 ZINC000471403763 561003932 /nfs/dbraw/zinc/00/39/32/561003932.db2.gz DUIUEOPKCYZFGM-UHFFFAOYSA-N 1 0 355.442 2.299 20 30 FEEDRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)[C@H](C)Oc2ccc(C#N)cc2)C1 ZINC000471530785 561006508 /nfs/dbraw/zinc/00/65/08/561006508.db2.gz LYIVOAMAWKLXPC-LPHOPBHVSA-N 1 0 359.470 2.285 20 30 FEEDRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)[C@H](C)Oc2ccccc2C#N)C1 ZINC000471569351 561007490 /nfs/dbraw/zinc/00/74/90/561007490.db2.gz GQCLIZIEIRVRDC-FUHWJXTLSA-N 1 0 359.470 2.285 20 30 FEEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+]2CCC[C@@H]2CO)c1C#N ZINC000472236430 561021601 /nfs/dbraw/zinc/02/16/01/561021601.db2.gz DTOPAWRRYCMIJU-MRXNPFEDSA-N 1 0 370.453 2.403 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N2C[C@@H](CC)N(C(C)=O)C[C@@H]2CC)CC1 ZINC000472999301 561039959 /nfs/dbraw/zinc/03/99/59/561039959.db2.gz ITUDENSZYFVRAQ-MSOLQXFVSA-N 1 0 350.507 2.068 20 30 FEEDRO C[C@H](CC[NH+](C)C)NC(=O)C(=O)Nc1ccccc1C#Cc1ccccc1 ZINC000473262199 561045722 /nfs/dbraw/zinc/04/57/22/561045722.db2.gz WJYYSPZSENOLIA-QGZVFWFLSA-N 1 0 363.461 2.481 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1C[C@H](C)O[C@@]2(CCOC2)C1)C(C)C ZINC000474062686 561064802 /nfs/dbraw/zinc/06/48/02/561064802.db2.gz WPYGBEIOVNULDY-NSHGMRRFSA-N 1 0 365.518 2.274 20 30 FEEDRO C=CCc1cc(CNC(=O)NCC[N@H+]2CC=CCC2)cc(OC)c1OC ZINC000474252583 561069437 /nfs/dbraw/zinc/06/94/37/561069437.db2.gz LIIMTJHNSQJVHX-UHFFFAOYSA-N 1 0 359.470 2.493 20 30 FEEDRO CC1CC[NH+](Cc2ccccc2CNC(=O)c2cnn(C)c2C#N)CC1 ZINC000474900889 561085091 /nfs/dbraw/zinc/08/50/91/561085091.db2.gz YTEBEWWDGIHHRW-UHFFFAOYSA-N 1 0 351.454 2.454 20 30 FEEDRO CC(C)[C@H](CNC(=O)c1ccc(C(C)(C)C#N)cc1)[NH+]1CCN(C)CC1 ZINC000475907489 561107666 /nfs/dbraw/zinc/10/76/66/561107666.db2.gz UZOLTTGTMOTGAN-IBGZPJMESA-N 1 0 356.514 2.490 20 30 FEEDRO C[C@H]1C[C@H](N(C)C(=O)c2cnn(C)c2C#N)CC[N@@H+]1Cc1ccccc1 ZINC000476083181 561111020 /nfs/dbraw/zinc/11/10/20/561111020.db2.gz BEFROPUIJSXZGJ-DOTOQJQBSA-N 1 0 351.454 2.417 20 30 FEEDRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)c1cnn(C)c1C#N ZINC000476314979 561116297 /nfs/dbraw/zinc/11/62/97/561116297.db2.gz ONYDIVIUFHEXIF-HUUCEWRRSA-N 1 0 351.454 2.178 20 30 FEEDRO O=C1c2ccccc2C(=O)N1CC#CC[NH+]1CCC(C2CCOCC2)CC1 ZINC000528421184 562328365 /nfs/dbraw/zinc/32/83/65/562328365.db2.gz OYEDJEVFHJGRAL-UHFFFAOYSA-N 1 0 366.461 2.425 20 30 FEEDRO N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000528435104 562329165 /nfs/dbraw/zinc/32/91/65/562329165.db2.gz ZADFPKRWTTWPEF-SJORKVTESA-N 1 0 367.453 2.173 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)NC[C@@H]2CC[N@@H+]2C2CCCCC2)c(F)c1 ZINC000528470739 562330894 /nfs/dbraw/zinc/33/08/94/562330894.db2.gz BCNOQZQMICHADJ-HNNXBMFYSA-N 1 0 351.447 2.383 20 30 FEEDRO N#Cc1ccccc1OC[C@H](O)C[NH+]1CCC(Oc2ncccc2F)CC1 ZINC000528481130 562331555 /nfs/dbraw/zinc/33/15/55/562331555.db2.gz PKZDOYKUAYQPRP-MRXNPFEDSA-N 1 0 371.412 2.375 20 30 FEEDRO N#CC1(C[C@H](O)C[N@@H+]2CC[C@@H](Oc3cccnc3N3CCCC3)C2)CC1 ZINC000528502650 562332801 /nfs/dbraw/zinc/33/28/01/562332801.db2.gz JZSHEZPMCWWQLS-DLBZAZTESA-N 1 0 356.470 2.190 20 30 FEEDRO COc1cc(C#N)ccc1OCC[N@@H+]1CC2(CCOCC2)CC[C@H]1CO ZINC000528636629 562339390 /nfs/dbraw/zinc/33/93/90/562339390.db2.gz DFLLNENYTCASIX-KRWDZBQOSA-N 1 0 360.454 2.199 20 30 FEEDRO C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1[NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000528758608 562346175 /nfs/dbraw/zinc/34/61/75/562346175.db2.gz GBFRAJKLPAIXAN-FLTUCWPJSA-N 1 0 353.426 2.084 20 30 FEEDRO N#Cc1ccc(C2([NH2+]CCc3nnnn3-c3ccccc3)CCOCC2)cc1 ZINC000528784947 562347700 /nfs/dbraw/zinc/34/77/00/562347700.db2.gz VQMMOGDHWGRDHM-UHFFFAOYSA-N 1 0 374.448 2.372 20 30 FEEDRO COCCC[NH+]1CCC(NC(=O)Nc2ccc(COC)c(C#N)c2)CC1 ZINC000529209924 562364832 /nfs/dbraw/zinc/36/48/32/562364832.db2.gz BNGHJOAYMKFWMU-UHFFFAOYSA-N 1 0 360.458 2.327 20 30 FEEDRO N#Cc1ccc(OC2CCN(C(=O)N[C@@H]3CC[NH2+]C34CCC4)CC2)cc1 ZINC000529353128 562370707 /nfs/dbraw/zinc/37/07/07/562370707.db2.gz PAJVIBXSRZTHOZ-GOSISDBHSA-N 1 0 354.454 2.396 20 30 FEEDRO N#Cc1cccc(OC2CCN(C(=O)N[C@@H]3CC[NH2+]C34CCC4)CC2)c1 ZINC000529368229 562371347 /nfs/dbraw/zinc/37/13/47/562371347.db2.gz UOBQDEADQCPTRL-GOSISDBHSA-N 1 0 354.454 2.396 20 30 FEEDRO C[C@H](N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)C(=O)NC1(C#N)CCC1 ZINC000530336767 562407346 /nfs/dbraw/zinc/40/73/46/562407346.db2.gz VFXZMKJDWOBHDL-AOIWGVFYSA-N 1 0 354.498 2.438 20 30 FEEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)NCC[N@@H+]1CC[C@H](C)C1 ZINC000531283687 562440593 /nfs/dbraw/zinc/44/05/93/562440593.db2.gz KDVXVODOYICVAK-GJZGRUSLSA-N 1 0 374.510 2.335 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH+]1CCC(OCCO)CC1 ZINC000533802819 562518439 /nfs/dbraw/zinc/51/84/39/562518439.db2.gz OVQUOPLHASMVTO-OAHLLOKOSA-N 1 0 352.500 2.125 20 30 FEEDRO C[NH+](C)C[C@@H](O)COc1ccc(NC(=O)c2ccc(CC#N)cc2)cc1 ZINC000534725047 562541150 /nfs/dbraw/zinc/54/11/50/562541150.db2.gz HGYQPAMKAUNJPT-GOSISDBHSA-N 1 0 353.422 2.306 20 30 FEEDRO N#Cc1ccsc1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000534917938 562545207 /nfs/dbraw/zinc/54/52/07/562545207.db2.gz YGIHJEKFWPRLEU-IAGOWNOFSA-N 1 0 355.463 2.233 20 30 FEEDRO C[NH+]1CCN(C[C@H](NC(=O)c2ccc(CC#N)cc2)c2ccccc2)CC1 ZINC000535348657 562556551 /nfs/dbraw/zinc/55/65/51/562556551.db2.gz DZSKZZQTBIKNOH-NRFANRHFSA-N 1 0 362.477 2.471 20 30 FEEDRO CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)c2ccc(CC#N)cc2)CC1 ZINC000535436409 562558683 /nfs/dbraw/zinc/55/86/83/562558683.db2.gz PLVZJGTWADVZJT-UHFFFAOYSA-N 1 0 370.497 2.109 20 30 FEEDRO N#Cc1ccc(-c2nnc(C[N@H+]3CCCC[C@@H]3[C@@H]3CNC(=O)C3)o2)cc1 ZINC000536545416 562578641 /nfs/dbraw/zinc/57/86/41/562578641.db2.gz WGNULGXPFSRYEZ-JKSUJKDBSA-N 1 0 351.410 2.099 20 30 FEEDRO CC[N@@H+](CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)CC1CC1 ZINC000537249027 562588695 /nfs/dbraw/zinc/58/86/95/562588695.db2.gz OHNWPYILQHBJBB-IBGZPJMESA-N 1 0 358.461 2.266 20 30 FEEDRO COc1cc2c(cc1OC)CN(C(=O)C[NH+]1CCC(CC#N)CC1)CC2 ZINC000541948552 562624147 /nfs/dbraw/zinc/62/41/47/562624147.db2.gz KVBKAOVCVYOSRS-UHFFFAOYSA-N 1 0 357.454 2.214 20 30 FEEDRO N#CC1(C[C@H](O)C[NH2+]C[C@H](CO)c2ccc(Cl)cc2)CCOCC1 ZINC000601970529 567890491 /nfs/dbraw/zinc/89/04/91/567890491.db2.gz LLGCUWLEEPLUSZ-WBVHZDCISA-N 1 0 352.862 2.077 20 30 FEEDRO C[NH+](C)CCn1c2cc(C(=O)N3CCC[C@@H](CC#N)C3)ccc2[nH]c1=O ZINC000602178160 567942331 /nfs/dbraw/zinc/94/23/31/567942331.db2.gz JUDXXDUJJAKPLA-AWEZNQCLSA-N 1 0 355.442 2.069 20 30 FEEDRO O=C(NCC[N@H+]1CC[C@H](O)C1)Nc1cccc(C#Cc2cccs2)c1 ZINC000626250182 567970480 /nfs/dbraw/zinc/97/04/80/567970480.db2.gz ANPFXNULXNKNJZ-KRWDZBQOSA-N 1 0 355.463 2.336 20 30 FEEDRO C[C@@H](CCC#N)C[NH2+]Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 ZINC000602525991 567987793 /nfs/dbraw/zinc/98/77/93/567987793.db2.gz DBPGVSXWHGTOOQ-RDJZCZTQSA-N 1 0 365.499 2.173 20 30 FEEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+][C@H]1CC(=O)N(CCOc2ccccc2)C1 ZINC000602552442 567990865 /nfs/dbraw/zinc/99/08/65/567990865.db2.gz WVUWICAXVXXEOO-ROUUACIJSA-N 1 0 371.481 2.355 20 30 FEEDRO C[C@@H]1C[N@@H+](CCC(=O)N[C@H]2CCCc3ccccc32)C[C@H](C)N1CC#N ZINC000602858784 568003016 /nfs/dbraw/zinc/00/30/16/568003016.db2.gz VDXPJJUGBYWSDU-QKLQHJQFSA-N 1 0 354.498 2.488 20 30 FEEDRO CC[N@H+](C[C@@H](O)CC1(C#N)CCOCC1)[C@@H]1CCN(CC(F)(F)F)C1 ZINC000602890635 568007124 /nfs/dbraw/zinc/00/71/24/568007124.db2.gz BWIAGBFZESQTHP-CABCVRRESA-N 1 0 363.424 2.016 20 30 FEEDRO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000602917994 568012683 /nfs/dbraw/zinc/01/26/83/568012683.db2.gz NJQFIVQQADGITH-XZOAIXRZSA-N 1 0 351.397 2.393 20 30 FEEDRO COC[C@@](C)(CO)[NH2+]CC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000602932481 568019911 /nfs/dbraw/zinc/01/99/11/568019911.db2.gz OOJTVAHSCWJFTP-SUMWQHHRSA-N 1 0 351.472 2.006 20 30 FEEDRO C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2C(F)(F)F)C[C@H](C)N1CC#N ZINC000603087992 568059330 /nfs/dbraw/zinc/05/93/30/568059330.db2.gz CFNDHGFIIFTBOA-LXTVHRRPSA-N 1 0 374.451 2.340 20 30 FEEDRO Cc1c[nH+]ccc1N1CCC(C(=O)N2C[C@@H](C)N(CC#N)[C@H](C)C2)CC1 ZINC000603098601 568060247 /nfs/dbraw/zinc/06/02/47/568060247.db2.gz HRKMMBCPMAINIT-IAGOWNOFSA-N 1 0 355.486 2.051 20 30 FEEDRO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)n1cc(CNCc2ccccc2)nn1 ZINC000603177134 568068177 /nfs/dbraw/zinc/06/81/77/568068177.db2.gz RFWBAGXCACBIBT-KXBFYZLASA-N 1 0 354.458 2.183 20 30 FEEDRO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)n1cc([C@@H]2CCC[NH2+]C2)nn1 ZINC000603193912 568072445 /nfs/dbraw/zinc/07/24/45/568072445.db2.gz STGQVPAXKVXUQB-YJTLQXIOSA-N 1 0 358.490 2.237 20 30 FEEDRO N#CC1(CCCn2cc(C[C@H]([NH3+])Cc3ccccc3)nn2)CCOCC1 ZINC000603234708 568075804 /nfs/dbraw/zinc/07/58/04/568075804.db2.gz PUYHYOSIRFNXDZ-GOSISDBHSA-N 1 0 353.470 2.491 20 30 FEEDRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000584666094 568129619 /nfs/dbraw/zinc/12/96/19/568129619.db2.gz JMMYBOQXIUDNGJ-OAHLLOKOSA-N 1 0 373.501 2.290 20 30 FEEDRO N#CCc1ccc(CS(=O)(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)cc1 ZINC000563134746 568266770 /nfs/dbraw/zinc/26/67/70/568266770.db2.gz DNEILYKBLZUSQA-RBUKOAKNSA-N 1 0 355.463 2.009 20 30 FEEDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNCCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000569421711 568401769 /nfs/dbraw/zinc/40/17/69/568401769.db2.gz XHNNLJKHJRLSNJ-CALCHBBNSA-N 1 0 363.527 2.290 20 30 FEEDRO COc1cc(C#N)ccc1OCC[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC000737034586 598983363 /nfs/dbraw/zinc/98/33/63/598983363.db2.gz KLQDDMVPKYCABH-UHFFFAOYSA-N 1 0 364.409 2.258 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)NC[C@H](O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000807790764 674429572 /nfs/dbraw/zinc/42/95/72/674429572.db2.gz FMXQQIRLVGZMBX-INIZCTEOSA-N 1 0 354.372 2.200 20 30 FEEDRO CC[N@H+](CCC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)C[C@@H](C)C#N ZINC000736535956 598759942 /nfs/dbraw/zinc/75/99/42/598759942.db2.gz ZLLRMAAYZGEUPU-NSHDSACASA-N 1 0 361.837 2.330 20 30 FEEDRO C#C[C@H]([NH2+]C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1)C(C)(C)C ZINC000809781063 674509661 /nfs/dbraw/zinc/50/96/61/674509661.db2.gz FZFWAGDCWWMQIE-SFHVURJKSA-N 1 0 364.511 2.486 20 30 FEEDRO COc1cc(C#N)ccc1OCC[NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000826176721 608469201 /nfs/dbraw/zinc/46/92/01/608469201.db2.gz AMWWSIFUFOERND-ZDUSSCGKSA-N 1 0 364.409 2.477 20 30 FEEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(-c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000823850956 609449923 /nfs/dbraw/zinc/44/99/23/609449923.db2.gz WELHTVXCSQOISN-LSDHHAIUSA-N 1 0 374.448 2.322 20 30 FEEDRO CCS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)NC2(C#N)CCC2)cc1 ZINC000560175158 674570860 /nfs/dbraw/zinc/57/08/60/674570860.db2.gz PGSKBRNVBGZYQW-KGLIPLIRSA-N 1 0 363.483 2.082 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2n[nH]c3ccc(Cl)cc32)c1C#N ZINC000562243840 674732757 /nfs/dbraw/zinc/73/27/57/674732757.db2.gz WQDZSPOLQUHLBU-UHFFFAOYSA-N 1 0 357.805 2.215 20 30 FEEDRO C=C(C[NH+](C)C)C(=O)Nc1ccc(OC)cc1I ZINC000813540033 674757977 /nfs/dbraw/zinc/75/79/77/674757977.db2.gz KVEYWSHTTNEJAB-UHFFFAOYSA-N 1 0 360.195 2.356 20 30 FEEDRO CN(C)c1ccc(NC(=S)NN=C2CC[NH+](CC(C)(C)O)CC2)cc1 ZINC000814222076 674827254 /nfs/dbraw/zinc/82/72/54/674827254.db2.gz XDTHATCBTCILBF-UHFFFAOYSA-N 1 0 363.531 2.262 20 30 FEEDRO COCC[C@H](Cc1ccco1)[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000563012039 674834751 /nfs/dbraw/zinc/83/47/51/674834751.db2.gz TTWKTBCJCBMKNM-MRXNPFEDSA-N 1 0 362.451 2.162 20 30 FEEDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1S(=O)(=O)Cc1ccc(C#N)cc1F ZINC000563720186 674932860 /nfs/dbraw/zinc/93/28/60/674932860.db2.gz ACVPSAQDYBGMCS-GUYCJALGSA-N 1 0 351.447 2.086 20 30 FEEDRO N#Cc1ccc(NC(=O)C[N@@H+]2C[C@H](O)C[C@@H]2[C@@H]2CCCOC2)cc1Cl ZINC000564289254 674990883 /nfs/dbraw/zinc/99/08/83/674990883.db2.gz YMRQJGXHDHTQGB-FRFSOERESA-N 1 0 363.845 2.012 20 30 FEEDRO Cc1nsc(NC[C@@H]2C[C@H](C)CCN2C(=O)[C@@H]2CCC[N@@H+]2C)c1C#N ZINC001048062317 675004725 /nfs/dbraw/zinc/00/47/25/675004725.db2.gz YBEYCUVDVKZKND-INWMFGNUSA-N 1 0 361.515 2.456 20 30 FEEDRO COC(=O)c1ccc(C[NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)s1 ZINC000564565698 675038058 /nfs/dbraw/zinc/03/80/58/675038058.db2.gz VEJNBYTZTSPSMQ-CQSZACIVSA-N 1 0 360.435 2.130 20 30 FEEDRO C=CCOc1c(Br)cc(C[NH2+][C@H](C)C(N)=O)cc1OCC ZINC000053601851 670325226 /nfs/dbraw/zinc/32/52/26/670325226.db2.gz XDHXSRSTZMDVHL-SNVBAGLBSA-N 1 0 357.248 2.376 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]C[C@H](O)COc1ccc(Br)cc1 ZINC000570272778 670688152 /nfs/dbraw/zinc/68/81/52/670688152.db2.gz GIFCWVGKLVDJNI-NOLJZWGESA-N 1 0 356.260 2.370 20 30 FEEDRO COc1ccc(NC(=[NH2+])NC[C@H]2CCN(CC(F)(F)F)C2)cc1OC ZINC000104172281 670790238 /nfs/dbraw/zinc/79/02/38/670790238.db2.gz UROMXICGMAFVOQ-LLVKDONJSA-N 1 0 360.380 2.315 20 30 FEEDRO C=CCn1c(SC[C@@H](O)C[N@@H+](C)C(C)C)nc2sccc2c1=O ZINC000565725766 675146967 /nfs/dbraw/zinc/14/69/67/675146967.db2.gz KOMXXYKPUHTRJT-LBPRGKRZSA-N 1 0 353.513 2.437 20 30 FEEDRO N#CCc1ccc(NC(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)c(Cl)c1 ZINC000573656854 671148525 /nfs/dbraw/zinc/14/85/25/671148525.db2.gz LCTGJWMYMUCBRG-AWEZNQCLSA-N 1 0 360.845 2.041 20 30 FEEDRO COc1cc(Br)ccc1[C@@H](C)[NH2+]C[C@H](O)CN(C)CCC#N ZINC000566124973 675183781 /nfs/dbraw/zinc/18/37/81/675183781.db2.gz MCSOLCRJZGKAGN-OCCSQVGLSA-N 1 0 370.291 2.315 20 30 FEEDRO C[C@@H](CCO)C1(C[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)CCC1 ZINC000574572236 671256097 /nfs/dbraw/zinc/25/60/97/671256097.db2.gz KLKSWJJGCLUUQC-HNNXBMFYSA-N 1 0 350.484 2.110 20 30 FEEDRO C[NH+]1CCC([C@@H]2CCN(S(=O)(=O)Cc3ccc(CC#N)cc3)C2)CC1 ZINC000574633879 671262959 /nfs/dbraw/zinc/26/29/59/671262959.db2.gz DCWOILPEGVTVFO-LJQANCHMSA-N 1 0 361.511 2.246 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+]C[C@@H](CO)C2CCCCC2)cc1 ZINC000579122400 671713947 /nfs/dbraw/zinc/71/39/47/671713947.db2.gz CQWYZRHSDMGRSR-KRWDZBQOSA-N 1 0 350.484 2.110 20 30 FEEDRO N#Cc1ccc(CNC(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)s1 ZINC000579460304 671737211 /nfs/dbraw/zinc/73/72/11/671737211.db2.gz WFMNAEVNUNLZPJ-IRXDYDNUSA-N 1 0 362.499 2.187 20 30 FEEDRO C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@@H](C)c1cccc(NS(C)(=O)=O)c1 ZINC000119027824 671891138 /nfs/dbraw/zinc/89/11/38/671891138.db2.gz KEJMVWKINAFONQ-GJZGRUSLSA-N 1 0 365.499 2.298 20 30 FEEDRO N#Cc1cc(S(=O)(=O)N2CC[C@]3(C2)CCC[NH2+]C3)ccc1C(F)(F)F ZINC000582486879 672006301 /nfs/dbraw/zinc/00/63/01/672006301.db2.gz GBAKGYOSDPVTFJ-OAHLLOKOSA-N 1 0 373.400 2.341 20 30 FEEDRO C[C@H]1C[C@@H]1[N@@H+]1CCN([C@@H]2CCN(c3sccc3C#N)C2=O)C[C@@H](C)C1 ZINC000583358343 672087208 /nfs/dbraw/zinc/08/72/08/672087208.db2.gz RVHDSUPDPQOKJF-WTTBNOFXSA-N 1 0 358.511 2.387 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)NCC2([NH3+])CCCCC2)cc1Br ZINC000583564027 672107377 /nfs/dbraw/zinc/10/73/77/672107377.db2.gz UNPTVGSOORLUMA-UHFFFAOYSA-N 1 0 372.288 2.261 20 30 FEEDRO Cc1nsc(N2CCN(C(=O)C3CC[NH+](C(C)C)CC3)CC2)c1C#N ZINC000584060572 672152328 /nfs/dbraw/zinc/15/23/28/672152328.db2.gz SOUZBQBWPNSZNX-UHFFFAOYSA-N 1 0 361.515 2.092 20 30 FEEDRO C[C@H](CNC(=O)C(=O)Nc1sc(C(C)(C)C)cc1C#N)[NH+]1CCCC1 ZINC000584572312 672200586 /nfs/dbraw/zinc/20/05/86/672200586.db2.gz HXBBYQPHTCNFIQ-GFCCVEGCSA-N 1 0 362.499 2.456 20 30 FEEDRO COC(=O)c1ccc(C[NH2+]C2CCN(CC#N)CC2)c(Br)c1 ZINC000585766856 672231436 /nfs/dbraw/zinc/23/14/36/672231436.db2.gz IPSUREOWXPRECK-UHFFFAOYSA-N 1 0 366.259 2.313 20 30 FEEDRO COc1ccc(OC)c(NC(=[NH2+])NCc2cn(C)nc2C(F)(F)F)c1 ZINC000160803722 672293822 /nfs/dbraw/zinc/29/38/22/672293822.db2.gz XYFNKVQCHSLAHC-UHFFFAOYSA-N 1 0 357.336 2.383 20 30 FEEDRO COc1ccc(CCNC(=[NH2+])NCCSC(F)(F)F)cc1OC ZINC000170905161 672326880 /nfs/dbraw/zinc/32/68/80/672326880.db2.gz TWPCIQWQPUGECX-UHFFFAOYSA-N 1 0 351.394 2.404 20 30 FEEDRO C=C(Br)CNC(NCC1(N2CCOCC2)CCCCC1)=[NH+]C ZINC000171617160 672333879 /nfs/dbraw/zinc/33/38/79/672333879.db2.gz AGDQQXKTFCUUSP-UHFFFAOYSA-N 1 0 373.339 2.095 20 30 FEEDRO C[NH+]=C(NCc1cc(C)no1)N1CCC(OC[C@H]2CCCCO2)CC1 ZINC000179132758 672398963 /nfs/dbraw/zinc/39/89/63/672398963.db2.gz VLFFSURDFFFMKL-MRXNPFEDSA-N 1 0 350.463 2.109 20 30 FEEDRO C[NH+]=C(NCc1ccc(S(N)(=O)=O)s1)NC1CCC(C(C)C)CC1 ZINC000179276513 672400520 /nfs/dbraw/zinc/40/05/20/672400520.db2.gz GACWMFFSFOFSPQ-UHFFFAOYSA-N 1 0 372.560 2.275 20 30 FEEDRO CCOC(=O)CC[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000611037987 676013577 /nfs/dbraw/zinc/01/35/77/676013577.db2.gz FXFLANJKIYJKFN-TXPKVOOTSA-N 1 0 351.491 2.485 20 30 FEEDRO N#C[C@]1(NC(=O)c2ccc(C[NH+]3CCC(CO)CC3)cc2)CCSC1 ZINC000611213645 676025510 /nfs/dbraw/zinc/02/55/10/676025510.db2.gz BJYGLERPDIPLBG-LJQANCHMSA-N 1 0 359.495 2.020 20 30 FEEDRO N#Cc1ccc(C[NH2+]CCCN2CCCS2(=O)=O)c(C(F)(F)F)c1 ZINC000589311349 672521542 /nfs/dbraw/zinc/52/15/42/672521542.db2.gz QRMCDXRLYDGYFN-UHFFFAOYSA-N 1 0 361.389 2.092 20 30 FEEDRO Cc1onc(CC(=O)NCC2([NH+]3CCSCC3)CCCCC2)c1C#N ZINC000611528488 676042534 /nfs/dbraw/zinc/04/25/34/676042534.db2.gz ZCHLEEBYBRUSKT-UHFFFAOYSA-N 1 0 362.499 2.265 20 30 FEEDRO CC[NH+]1CCC(NS(=O)(=O)c2cc(Br)ccc2C#N)CC1 ZINC000591324301 672669339 /nfs/dbraw/zinc/66/93/39/672669339.db2.gz LWTCNDUITCDMLY-UHFFFAOYSA-N 1 0 372.288 2.083 20 30 FEEDRO CCOC(=O)C1CCC([NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000591727522 672705415 /nfs/dbraw/zinc/70/54/15/672705415.db2.gz FUVGWRKWHQUXLJ-UHFFFAOYSA-N 1 0 364.467 2.043 20 30 FEEDRO N#CCN1CCC([NH2+]C[C@@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000591736513 672706656 /nfs/dbraw/zinc/70/66/56/672706656.db2.gz UPLWRCAJBQBKRP-CYBMUJFWSA-N 1 0 358.269 2.311 20 30 FEEDRO N#CC[C@@]1(O)CCN(C(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)C1 ZINC000591938705 672724246 /nfs/dbraw/zinc/72/42/46/672724246.db2.gz KGLAIFFTKIHHNG-CRAIPNDOSA-N 1 0 362.499 2.020 20 30 FEEDRO CC(C)[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)C1(CO)CC=CC1 ZINC000592177347 672767657 /nfs/dbraw/zinc/76/76/57/672767657.db2.gz ZWUJQFZPLLFXSJ-GOSISDBHSA-N 1 0 362.495 2.275 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@@H](NC(=O)NC(C)(C)C)C(C)C)CC1 ZINC000592313315 672785779 /nfs/dbraw/zinc/78/57/79/672785779.db2.gz AFEXEWSWQUMOJF-INIZCTEOSA-N 1 0 352.523 2.265 20 30 FEEDRO N#Cc1cc(Br)ccc1N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000611925872 676060400 /nfs/dbraw/zinc/06/04/00/676060400.db2.gz KVGDBUDPHMRWIE-HZPDHXFCSA-N 1 0 350.260 2.356 20 30 FEEDRO Cc1nnc(CNC(NC[C@H]2CCCS2)=[NH+]C2CCCCC2)n1C ZINC000261662364 672900766 /nfs/dbraw/zinc/90/07/66/672900766.db2.gz AVCWJUJHMDMPTN-OAHLLOKOSA-N 1 0 350.536 2.387 20 30 FEEDRO CC[S@](=O)[C@@H]1CCC[C@H](NC(NC[C@]2(C)CCCC[C@H]2O)=[NH+]C)C1 ZINC000261736674 672902078 /nfs/dbraw/zinc/90/20/78/672902078.db2.gz MCKYDQLULGTANX-XOQWAOLYSA-N 1 0 357.564 2.172 20 30 FEEDRO [NH2+]=C(NC[C@H]1CCCO1)NCC1(c2cccc(Cl)c2)CCOCC1 ZINC000261758097 672902631 /nfs/dbraw/zinc/90/26/31/672902631.db2.gz KXKZWDGNYADHHS-MRXNPFEDSA-N 1 0 351.878 2.472 20 30 FEEDRO [NH2+]=C(NC[C@H](c1ccc(Cl)cc1)N1CCOCC1)N1CCSCC1 ZINC000261995634 672907461 /nfs/dbraw/zinc/90/74/61/672907461.db2.gz NPDSDQQSEPDHDV-MRXNPFEDSA-N 1 0 368.934 2.077 20 30 FEEDRO CC[NH+]=C(NCCOc1ccc(F)cc1F)N1CC[C@]2(CCOC2)C1 ZINC000262010117 672907492 /nfs/dbraw/zinc/90/74/92/672907492.db2.gz WLGNKVONWGRFQS-SFHVURJKSA-N 1 0 353.413 2.422 20 30 FEEDRO C=C(C)CNC(NC[C@@H]1CCS(=O)(=O)C1)=[NH+][C@@H]1CC[C@H](C)[C@@H](C)C1 ZINC000262347355 672913934 /nfs/dbraw/zinc/91/39/34/672913934.db2.gz DNCMOTLRNBRFOK-LUKYLMHMSA-N 1 0 355.548 2.357 20 30 FEEDRO CCC1(CC)CN(C(NC[C@H]2CCS(=O)(=O)C2)=[NH+]C2CC2)CCS1 ZINC000262467273 672916368 /nfs/dbraw/zinc/91/63/68/672916368.db2.gz YLQLVPHIXJRHTH-CQSZACIVSA-N 1 0 373.588 2.137 20 30 FEEDRO CCC1(CC)CN(C(NC[C@@H]2CCS(=O)(=O)C2)=[NH+]C2CC2)CCS1 ZINC000262467272 672916420 /nfs/dbraw/zinc/91/64/20/672916420.db2.gz YLQLVPHIXJRHTH-AWEZNQCLSA-N 1 0 373.588 2.137 20 30 FEEDRO C[C@@H](CNC(=[NH2+])N1CCO[C@@H](C)C1)Oc1ccc(Br)cc1 ZINC000262501051 672917069 /nfs/dbraw/zinc/91/70/69/672917069.db2.gz YJOHEHFHTNQLQZ-RYUDHWBXSA-N 1 0 356.264 2.252 20 30 FEEDRO N#Cc1cc(Br)ccc1CC(=O)NCC[NH+]1CCCCC1 ZINC000593407085 672919367 /nfs/dbraw/zinc/91/93/67/672919367.db2.gz LIKQMTNXKHGWHV-UHFFFAOYSA-N 1 0 350.260 2.465 20 30 FEEDRO CCc1nc(CNC(N[C@@H]2CCC[C@@H](C(=O)N(C)C)C2)=[NH+]C)cs1 ZINC000262807978 672921321 /nfs/dbraw/zinc/92/13/21/672921321.db2.gz UHGLQDSERSUIDB-CHWSQXEVSA-N 1 0 351.520 2.018 20 30 FEEDRO CS[C@@H]1CN(S(=O)(=O)c2ccc(C(C)(C)C#N)cc2)C[C@@H]1[NH+](C)C ZINC000593571522 672946906 /nfs/dbraw/zinc/94/69/06/672946906.db2.gz UNZRWIRAMGUZTD-JKSUJKDBSA-N 1 0 367.540 2.154 20 30 FEEDRO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)Cc1ccc(Br)cc1C#N ZINC000593577666 672949479 /nfs/dbraw/zinc/94/94/79/672949479.db2.gz GEOWQLJMNNCKQL-NWDGAFQWSA-N 1 0 350.260 2.414 20 30 FEEDRO C[N@H+]1C[C@@H](c2ccccc2)[C@H](CNS(=O)(=O)c2ccsc2C#N)C1 ZINC000593614217 672958737 /nfs/dbraw/zinc/95/87/37/672958737.db2.gz VTNCWXHJFJVVNL-CABCVRRESA-N 1 0 361.492 2.243 20 30 FEEDRO C#CCCS(=O)(=O)NC[C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000289086986 672988245 /nfs/dbraw/zinc/98/82/45/672988245.db2.gz GKVKQXTWOJXTTD-BBRMVZONSA-N 1 0 358.866 2.415 20 30 FEEDRO CCOCCCNC(=[NH2+])NC[C@@H](c1ccccc1Cl)N1CCOCC1 ZINC000303911584 673019095 /nfs/dbraw/zinc/01/90/95/673019095.db2.gz ZSOKRUYOYPYAIJ-KRWDZBQOSA-N 1 0 368.909 2.044 20 30 FEEDRO CC(C)CCNC(=[NH2+])NCC1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000303991585 673019760 /nfs/dbraw/zinc/01/97/60/673019760.db2.gz ZTAVGELCVRERHW-UHFFFAOYSA-N 1 0 366.531 2.038 20 30 FEEDRO CC(C)OC(=O)C[C@@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)C(C)C ZINC000594047808 673025267 /nfs/dbraw/zinc/02/52/67/673025267.db2.gz ZMBYLVLHCRKZRI-QGZVFWFLSA-N 1 0 366.483 2.288 20 30 FEEDRO Cc1nc(NC(=O)[C@H]([NH3+])CCCCC#N)ccc1I ZINC000594443620 673072553 /nfs/dbraw/zinc/07/25/53/673072553.db2.gz FXYBXGPDNLRXAQ-LLVKDONJSA-N 1 0 372.210 2.344 20 30 FEEDRO N#CCCCC[C@@H]([NH3+])C(=O)NCc1cc(Cl)ccc1N1CCOCC1 ZINC000594445407 673072838 /nfs/dbraw/zinc/07/28/38/673072838.db2.gz KCCMDHYLGOXSFA-MRXNPFEDSA-N 1 0 364.877 2.204 20 30 FEEDRO O=C(CNC(=O)c1c(F)cccc1Cl)N1CC[NH+](C2CCC2)CC1 ZINC000329405465 673076523 /nfs/dbraw/zinc/07/65/23/673076523.db2.gz ZEXSMBYINUKWSK-UHFFFAOYSA-N 1 0 353.825 2.480 20 30 FEEDRO C[C@@H]1CN(C(=O)NC2CC[NH+](C3CCCCC3)CC2)C[C@H](C)S1(=O)=O ZINC000329769424 673082957 /nfs/dbraw/zinc/08/29/57/673082957.db2.gz HUHPZLQIQWTOFQ-GASCZTMLSA-N 1 0 371.547 2.205 20 30 FEEDRO N#Cc1cc(F)c(N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cc1Br ZINC000594548768 673096691 /nfs/dbraw/zinc/09/66/91/673096691.db2.gz CKLXWGSMTPECNV-ZBFHGGJFSA-N 1 0 368.250 2.495 20 30 FEEDRO COc1ccc(C[NH2+][C@@H]2CC[C@@H](C)S(=O)(=O)C2)cc1OCCCC#N ZINC000594973965 673181284 /nfs/dbraw/zinc/18/12/84/673181284.db2.gz IKRONJMSKYXEJA-GDBMZVCRSA-N 1 0 366.483 2.433 20 30 FEEDRO C=CCNC(=O)C[NH2+][C@H]1CCc2ccc(I)cc21 ZINC000595028207 673187608 /nfs/dbraw/zinc/18/76/08/673187608.db2.gz VHAYMEUWCMXGEL-ZDUSSCGKSA-N 1 0 356.207 2.170 20 30 FEEDRO N#Cc1cccc(S(=O)(=O)N[C@H]2C[NH2+]CC[C@H]2c2cccc(F)c2)c1 ZINC000595119839 673196933 /nfs/dbraw/zinc/19/69/33/673196933.db2.gz JMBLVORXTOHWCR-ROUUACIJSA-N 1 0 359.426 2.121 20 30 FEEDRO C[NH2+]C[C@@H](C)NC(=O)C(=O)Nc1sc2c(c1C#N)CC[C@@H](C(C)C)C2 ZINC000595245095 673213228 /nfs/dbraw/zinc/21/32/28/673213228.db2.gz PLTMFLWQTSOLHP-VXGBXAGGSA-N 1 0 362.499 2.043 20 30 FEEDRO C#CCOc1ccc(Br)cc1C[NH2+]CCN1CCOC[C@H]1C ZINC000729679334 673243617 /nfs/dbraw/zinc/24/36/17/673243617.db2.gz VEHWBXUUKFYHJN-CQSZACIVSA-N 1 0 367.287 2.271 20 30 FEEDRO N#Cc1ccc(CS(=O)(=O)NC[C@H]2CCC[N@H+](CC3CC3)C2)c(F)c1 ZINC000595411736 673246135 /nfs/dbraw/zinc/24/61/35/673246135.db2.gz SLTRQVHAMPMKCT-MRXNPFEDSA-N 1 0 365.474 2.239 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CCC[C@]2(C)C(=O)OCC)CC1 ZINC000595496041 673258097 /nfs/dbraw/zinc/25/80/97/673258097.db2.gz YENLPALDJSKJSC-APWZRJJASA-N 1 0 351.491 2.448 20 30 FEEDRO C[C@@H](c1ccccc1)[C@H](CO)[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000613389985 676127099 /nfs/dbraw/zinc/12/70/99/676127099.db2.gz OMMWELGWFBFQPW-KXBFYZLASA-N 1 0 358.463 2.086 20 30 FEEDRO N#Cc1cccc(CNC(=O)C[N@H+](C[C@H]2CCCO2)[C@@H]2CCSC2)c1 ZINC000536348185 673368304 /nfs/dbraw/zinc/36/83/04/673368304.db2.gz HHIYFSYDFDFHBS-QZTJIDSGSA-N 1 0 359.495 2.161 20 30 FEEDRO CCS(=O)(=O)N(C)C1CC[NH+](Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000597021202 673440026 /nfs/dbraw/zinc/44/00/26/673440026.db2.gz LFWKGRYGMHXACT-UHFFFAOYSA-N 1 0 361.511 2.488 20 30 FEEDRO C=CCCSCCNC(=O)C(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000597303079 673465927 /nfs/dbraw/zinc/46/59/27/673465927.db2.gz DMLBXKGNFDJYBA-HZPDHXFCSA-N 1 0 367.559 2.181 20 30 FEEDRO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]C1CCN(CC#N)CC1 ZINC000614098941 676160441 /nfs/dbraw/zinc/16/04/41/676160441.db2.gz DLEQEEBMLMHIQB-UHFFFAOYSA-N 1 0 355.891 2.211 20 30 FEEDRO CC(C)(C#N)C[C@@H](O)C[NH2+][C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000598724863 673603781 /nfs/dbraw/zinc/60/37/81/673603781.db2.gz RYWJBZQOOKPDMI-IUODEOHRSA-N 1 0 353.825 2.475 20 30 FEEDRO C[NH+](C)[C@@]1(CNC(=O)N2CCc3c(CC#N)cccc3C2)CCSC1 ZINC000598995920 673627083 /nfs/dbraw/zinc/62/70/83/673627083.db2.gz JULXLXVENGUAQM-LJQANCHMSA-N 1 0 358.511 2.258 20 30 FEEDRO Cc1cc(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)ccc1C#N ZINC000599103875 673633500 /nfs/dbraw/zinc/63/35/00/673633500.db2.gz UHYSSWARHNHEEM-JSGCOSHPSA-N 1 0 361.389 2.015 20 30 FEEDRO C[C@]12C[NH2+]C[C@@]1(C)CN(S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1)C2 ZINC000599110939 673634031 /nfs/dbraw/zinc/63/40/31/673634031.db2.gz HNKKDBCGLMIZMS-GASCZTMLSA-N 1 0 373.400 2.197 20 30 FEEDRO C#CCSCCNC(=O)NCC1([NH+]2CCC(OC)CC2)CCCC1 ZINC000740049692 673641820 /nfs/dbraw/zinc/64/18/20/673641820.db2.gz FVUCAXJKLJBVDC-UHFFFAOYSA-N 1 0 353.532 2.076 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)c2ccc(Br)cc2O)CC1 ZINC000740748269 673652484 /nfs/dbraw/zinc/65/24/84/673652484.db2.gz AYNCJGGHAWIXMP-UHFFFAOYSA-N 1 0 351.244 2.372 20 30 FEEDRO C[C@H](C1CC[NH+](C)CC1)N(C)S(=O)(=O)Cc1cc(C#N)ccc1F ZINC000543672708 673660366 /nfs/dbraw/zinc/66/03/66/673660366.db2.gz FUZFQHSJHAKBLD-CYBMUJFWSA-N 1 0 353.463 2.189 20 30 FEEDRO CC(C)(C)OC(=O)[C@H]1CCC[N@H+](C[C@@H](O)CC2(C#N)CCOCC2)C1 ZINC000599359381 673663505 /nfs/dbraw/zinc/66/35/05/673663505.db2.gz ACUVJANXKKGNKL-HOTGVXAUSA-N 1 0 352.475 2.111 20 30 FEEDRO CC(C)OC(=O)C[C@@H]1CCC[N@H+](C[C@@H](O)CC2(C#N)CCOCC2)C1 ZINC000599360865 673663883 /nfs/dbraw/zinc/66/38/83/673663883.db2.gz RIWQLXSDZWPLOU-IRXDYDNUSA-N 1 0 352.475 2.111 20 30 FEEDRO CN1C(=O)C[C@H]([NH2+]C[C@H](O)CC2(C#N)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000599384531 673667511 /nfs/dbraw/zinc/66/75/11/673667511.db2.gz OVKJILRZDBREOI-ISTRZQFTSA-N 1 0 365.836 2.395 20 30 FEEDRO CC(C)(CO)[C@H]([NH2+]C[C@@H](O)CC1(C#N)CCOCC1)c1cccs1 ZINC000599420204 673673223 /nfs/dbraw/zinc/67/32/23/673673223.db2.gz DLBWALXLCHDXJE-GOEBONIOSA-N 1 0 352.500 2.469 20 30 FEEDRO CC(C)(CO)[C@@H]([NH2+]C[C@@H](O)CC1(C#N)CCOCC1)c1cccs1 ZINC000599420205 673673333 /nfs/dbraw/zinc/67/33/33/673673333.db2.gz DLBWALXLCHDXJE-HOCLYGCPSA-N 1 0 352.500 2.469 20 30 FEEDRO C[C@@H]1CC(N=Nc2ccc(S(=O)(=O)NC(C)(C)C)cn2)CC[N@@H+]1C ZINC000741460333 673687495 /nfs/dbraw/zinc/68/74/95/673687495.db2.gz NPWLKDUGKDRHJH-GFCCVEGCSA-N 1 0 353.492 2.040 20 30 FEEDRO C[C@H](CCNS(=O)(=O)Cc1cc(C#N)ccc1F)[NH+]1CCCCC1 ZINC000544187136 673697092 /nfs/dbraw/zinc/69/70/92/673697092.db2.gz OZDBHXHVIQWRBE-CQSZACIVSA-N 1 0 353.463 2.381 20 30 FEEDRO COc1ccc(C[NH2+]CCOc2ccc(S(C)(=O)=O)cc2)cc1C#N ZINC000742370491 673725792 /nfs/dbraw/zinc/72/57/92/673725792.db2.gz XJJLDNJNSFGVGE-UHFFFAOYSA-N 1 0 360.435 2.139 20 30 FEEDRO N#CC1CN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2nccs2)C1 ZINC000599969019 673730941 /nfs/dbraw/zinc/73/09/41/673730941.db2.gz SZGNECMKJMVZCU-IAGOWNOFSA-N 1 0 352.463 2.341 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)[C@H](NC(=O)OC(C)(C)C)C(C)C)CC1 ZINC000743491863 673761810 /nfs/dbraw/zinc/76/18/10/673761810.db2.gz NAWZHYUXMZSDPN-MRXNPFEDSA-N 1 0 351.491 2.140 20 30 FEEDRO CC(C)[C@@H](C[NH2+]C[C@@H](O)CC1(C#N)CCOCC1)N1CCC(C)CC1 ZINC000600717776 673794191 /nfs/dbraw/zinc/79/41/91/673794191.db2.gz NOLNFFPMNUTMOK-RBUKOAKNSA-N 1 0 351.535 2.404 20 30 FEEDRO COc1ccc(Cl)cc1NC(=O)CC[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000600730309 673795026 /nfs/dbraw/zinc/79/50/26/673795026.db2.gz OIOVUQZQHCXERR-CYBMUJFWSA-N 1 0 351.834 2.322 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2CCC[C@H]3C[NH2+]CC[C@H]32)cc1C(F)(F)F ZINC000601351701 673846548 /nfs/dbraw/zinc/84/65/48/673846548.db2.gz MJXFMMUPZBHVQM-SWLSCSKDSA-N 1 0 373.400 2.340 20 30 FEEDRO COc1cc(C#N)ccc1S(=O)(=O)N1CC[C@H](C[NH3+])c2ccccc21 ZINC000601921868 673899780 /nfs/dbraw/zinc/89/97/80/673899780.db2.gz PZAIOUSNTAGVOD-CQSZACIVSA-N 1 0 357.435 2.208 20 30 FEEDRO CO[C@@]1(C(F)(F)F)CCC[N@H+](C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000614924988 676196831 /nfs/dbraw/zinc/19/68/31/676196831.db2.gz QPFUFKJFVHIKKO-HOCLYGCPSA-N 1 0 358.360 2.341 20 30 FEEDRO C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000602539575 673907620 /nfs/dbraw/zinc/90/76/20/673907620.db2.gz IZIZTLAGYSZEKC-NJZAAPMLSA-N 1 0 355.360 2.311 20 30 FEEDRO C[NH+](C)C[C@@H]1COC2(CCCC2)CN1CC(=O)Nc1sccc1C#N ZINC000602910577 673913576 /nfs/dbraw/zinc/91/35/76/673913576.db2.gz ANYQTOMZBMDPJI-OAHLLOKOSA-N 1 0 362.499 2.133 20 30 FEEDRO C[C@H]1COCC[N@@H+]1C1CCN(c2cc(C#N)c(Br)cn2)CC1 ZINC000603403042 673929698 /nfs/dbraw/zinc/92/96/98/673929698.db2.gz QUNWIKXSIGKRSJ-LBPRGKRZSA-N 1 0 365.275 2.405 20 30 FEEDRO C=CCSc1ccccc1C(=O)Nc1n[nH]c(CCC[NH2+]C)c1C#N ZINC000548270659 673946253 /nfs/dbraw/zinc/94/62/53/673946253.db2.gz UTAFJZFZMRQJND-UHFFFAOYSA-N 1 0 355.467 2.964 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)c1cccc(I)c1C ZINC000818593057 675226781 /nfs/dbraw/zinc/22/67/81/675226781.db2.gz JNXYSAOZSLSHMZ-UHFFFAOYSA-N 1 0 370.234 2.285 20 30 FEEDRO C#CC[N@@H+](C)CCCNC(=O)Cc1cc(Br)ccc1OC ZINC000818609105 675228526 /nfs/dbraw/zinc/22/85/26/675228526.db2.gz KUCGVPJXSAYYDH-UHFFFAOYSA-N 1 0 353.260 2.072 20 30 FEEDRO COc1cc(C#N)ccc1S(=O)(=O)N(CCC[NH3+])Cc1ccccc1 ZINC000566737072 675238703 /nfs/dbraw/zinc/23/87/03/675238703.db2.gz DZOLXSNKSRIJOE-UHFFFAOYSA-N 1 0 359.451 2.107 20 30 FEEDRO Cc1ccc(Cl)c(OC[C@H](O)C[NH2+]CCNc2ccc(C#N)cn2)c1 ZINC000818951904 675245663 /nfs/dbraw/zinc/24/56/63/675245663.db2.gz AVUGWVPUNXBABZ-OAHLLOKOSA-N 1 0 360.845 2.357 20 30 FEEDRO N#Cc1ccc(NCC[NH2+]C[C@@H](O)COCc2ccc(Cl)cc2)nc1 ZINC000818952544 675246008 /nfs/dbraw/zinc/24/60/08/675246008.db2.gz PFBDSMRWCFRDKN-QGZVFWFLSA-N 1 0 360.845 2.186 20 30 FEEDRO N#CCC(=O)N1CCN(CCOc2cc(F)cc(Br)c2)CC1 ZINC000566924127 675253382 /nfs/dbraw/zinc/25/33/82/675253382.db2.gz RLIORXIDWYKLIO-UHFFFAOYSA-N 1 0 370.222 2.025 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC(O[C@@H]3CCOC3)CC2)CC1 ZINC000567008533 675259796 /nfs/dbraw/zinc/25/97/96/675259796.db2.gz LJLRMQUYARDAMF-GOSISDBHSA-N 1 0 351.491 2.006 20 30 FEEDRO C[NH+]1CCC(CNC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)CC1 ZINC000819213892 675270444 /nfs/dbraw/zinc/27/04/44/675270444.db2.gz XSPPSQYEPURDFX-OAHLLOKOSA-N 1 0 352.479 2.032 20 30 FEEDRO C[NH+]1CCC(CNC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)CC1 ZINC000819213891 675270535 /nfs/dbraw/zinc/27/05/35/675270535.db2.gz XSPPSQYEPURDFX-HNNXBMFYSA-N 1 0 352.479 2.032 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]C[C@@]1(O)CCCN(C(=O)OC(C)(C)C)CC1 ZINC000819349858 675284130 /nfs/dbraw/zinc/28/41/30/675284130.db2.gz LQYNXMCXMGQSGU-JTDSTZFVSA-N 1 0 354.491 2.462 20 30 FEEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)CCOC1C[NH2+]C1 ZINC000567663758 675310388 /nfs/dbraw/zinc/31/03/88/675310388.db2.gz FLDITHYZYYOTJG-UHFFFAOYSA-N 1 0 371.250 2.481 20 30 FEEDRO CO[C@H](C[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)Cc1ccccc1 ZINC000567697649 675313999 /nfs/dbraw/zinc/31/39/99/675313999.db2.gz ARJWTSZXQZYIRD-SFHVURJKSA-N 1 0 358.463 2.179 20 30 FEEDRO C=CCn1nnn(CN2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)c1=S ZINC000819896266 675321129 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/nfs/dbraw/zinc/73/71/97/680737197.db2.gz JZJZMJWNXJOHCU-JYJNAYRXSA-N 1 0 351.491 2.256 20 30 FEEDRO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](C)CCCN(C)C(=O)OC(C)(C)C ZINC000839654926 680769228 /nfs/dbraw/zinc/76/92/28/680769228.db2.gz KSLCCHSVXIFSFA-GOSISDBHSA-N 1 0 354.495 2.230 20 30 FEEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)NCc1ccc(S(C)(=O)=O)cc1 ZINC000661115413 678437142 /nfs/dbraw/zinc/43/71/42/678437142.db2.gz RRAHYNIZPXIPKN-AEFFLSMTSA-N 1 0 364.511 2.431 20 30 FEEDRO C[C@@H](O)[C@H]1CCC[N@@H+]1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000661769484 678532015 /nfs/dbraw/zinc/53/20/15/678532015.db2.gz ISTBCQOMHWOPIL-CZUORRHYSA-N 1 0 354.372 2.018 20 30 FEEDRO C=CCC1([NH2+]CC(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)CCCC1 ZINC000661848117 678541733 /nfs/dbraw/zinc/54/17/33/678541733.db2.gz AMPNCEUQWXJVSY-UHFFFAOYSA-N 1 0 351.472 2.059 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)[C@@H](N)c2ccccc2Br)CC1 ZINC000662449113 678622412 /nfs/dbraw/zinc/62/24/12/678622412.db2.gz VKZHVLIAJWOJEO-HNNXBMFYSA-N 1 0 352.276 2.216 20 30 FEEDRO C=CC[C@@]1(C(=O)N2CCC(NC(=O)c3ccc(C)s3)CC2)CCC[NH2+]1 ZINC000662547249 678636970 /nfs/dbraw/zinc/63/69/70/678636970.db2.gz SACDZVSIDOJZJN-IBGZPJMESA-N 1 0 361.511 2.476 20 30 FEEDRO C=CC[C@]1(C(=O)N2CCN(Cc3ccc(Cl)cc3)C(=O)C2)CCC[NH2+]1 ZINC000662615360 678643430 /nfs/dbraw/zinc/64/34/30/678643430.db2.gz FGRHSQDIVBUDPR-LJQANCHMSA-N 1 0 361.873 2.209 20 30 FEEDRO C=CC[C@@]1(C(=O)N2CCN(c3ncnc4ccsc43)CC2)CCC[NH2+]1 ZINC000662729214 678656002 /nfs/dbraw/zinc/65/60/02/678656002.db2.gz HIEPLLWWIONUDP-SFHVURJKSA-N 1 0 357.483 2.038 20 30 FEEDRO C#CCCCS(=O)(=O)Nc1cccc(NC(=O)C[NH+](CC)CC)c1 ZINC000840950003 680856157 /nfs/dbraw/zinc/85/61/57/680856157.db2.gz HJYKWWYQCLRNOB-UHFFFAOYSA-N 1 0 351.472 2.122 20 30 FEEDRO COCC#CC[NH+]1CCC([C@@H]2OCC[C@H]2NC(=O)OC(C)(C)C)CC1 ZINC000831704673 680028432 /nfs/dbraw/zinc/02/84/32/680028432.db2.gz LHOZQHFDOBUNQB-SJORKVTESA-N 1 0 352.475 2.030 20 30 FEEDRO C=CCOCC[N@H+]1C[C@H](CNC(=O)OC(C)(C)C)C2(C1)CCOCC2 ZINC000832034001 680079239 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354.273 2.077 20 30 FEEDRO Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000834498853 680235350 /nfs/dbraw/zinc/23/53/50/680235350.db2.gz CEWAEKWUPNFWQD-ZBFHGGJFSA-N 1 0 357.845 2.043 20 30 FEEDRO CCCOc1c(Cl)cc(C(=O)N[C@H]2C[NH2+]C[C@H]2C#N)cc1OCC ZINC000834504556 680235975 /nfs/dbraw/zinc/23/59/75/680235975.db2.gz BZBLVXIBWZLDHP-OCCSQVGLSA-N 1 0 351.834 2.369 20 30 FEEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)COc1ccc(C2SCCCS2)cc1 ZINC000834511906 680236823 /nfs/dbraw/zinc/23/68/23/680236823.db2.gz PPTKEGCMNLZWIW-ZFWWWQNUSA-N 1 0 363.508 2.162 20 30 FEEDRO Cc1c2ccc(C(F)(F)F)nc2sc1C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000834516481 680237237 /nfs/dbraw/zinc/23/72/37/680237237.db2.gz ITNUVKVCWNBSCU-WPRPVWTQSA-N 1 0 354.357 2.465 20 30 FEEDRO C[C@@H]1CCO[C@@H]1C(=O)N1CC2(C1)CCC[N@H+](Cc1ccc(C#N)s1)C2 ZINC000982018872 680263249 /nfs/dbraw/zinc/26/32/49/680263249.db2.gz LJAHIZOAQSTMGH-PBHICJAKSA-N 1 0 359.495 2.469 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+](CC2CCOCC2)C1 ZINC001023643106 680268428 /nfs/dbraw/zinc/26/84/28/680268428.db2.gz OVXGGTMFGPUYKH-FHWLQOOXSA-N 1 0 350.503 2.222 20 30 FEEDRO CCN(CC)S(=O)(=O)c1ccc(N=NC2C[N@@H+](C(C)C)C[C@@H]2C)nc1 ZINC000754257306 680345959 /nfs/dbraw/zinc/34/59/59/680345959.db2.gz HTQOEHVGTGHYNZ-AWEZNQCLSA-N 1 0 367.519 2.240 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC([NH2+]CC[C@H]2CCOC2)CC1 ZINC000997084960 680346762 /nfs/dbraw/zinc/34/67/62/680346762.db2.gz NBJKNMNRHBSFFV-WDSOQIARSA-N 1 0 350.503 2.365 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC([NH2+]CC[C@@H]2CCOC2)CC1 ZINC000997084957 680346845 /nfs/dbraw/zinc/34/68/45/680346845.db2.gz NBJKNMNRHBSFFV-NEWSRXKRSA-N 1 0 350.503 2.365 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)NC1CCC([NH2+]Cc2cc(OC)ns2)CC1 ZINC001026563948 680347096 /nfs/dbraw/zinc/34/70/96/680347096.db2.gz PQFOCRXGWOIAEZ-GMEATFMZSA-N 1 0 365.499 2.260 20 30 FEEDRO N#Cc1ccc(C[NH2+]C[C@H]2CCN(C(=O)[C@@H]3CCO[C@H]3C3CC3)C2)s1 ZINC001026966624 680353981 /nfs/dbraw/zinc/35/39/81/680353981.db2.gz ZTLVAIGTHILTPN-XWIAVFTESA-N 1 0 359.495 2.373 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2cc(F)cc(F)c2)C1 ZINC001027075560 680354823 /nfs/dbraw/zinc/35/48/23/680354823.db2.gz VRNFUSITWBMJID-VHSSKADRSA-N 1 0 350.409 2.494 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC(C[NH2+]C[C@H]2CCCCO2)CC1 ZINC000998148037 680377493 /nfs/dbraw/zinc/37/74/93/680377493.db2.gz JLLVZIILCUKVKC-QYZOEREBSA-N 1 0 350.503 2.365 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](Cc2cccc(F)c2F)C1 ZINC001028810052 680383247 /nfs/dbraw/zinc/38/32/47/680383247.db2.gz VCHPKFWXZMMSDM-LXZKKBNFSA-N 1 0 350.409 2.494 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(C[N@@H+](C)C[C@@H]2CCCCO2)CC1 ZINC001029997756 680395736 /nfs/dbraw/zinc/39/57/36/680395736.db2.gz CPMXSRPBYUWBFF-OTWHNJEPSA-N 1 0 350.503 2.317 20 30 FEEDRO C=C(Br)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCO[C@H]2C2CC2)C1 ZINC000999759373 680412350 /nfs/dbraw/zinc/41/23/50/680412350.db2.gz BLKKDJQQNPWRHF-KFWWJZLASA-N 1 0 357.292 2.291 20 30 FEEDRO C=C(Cl)CN1CC[C@H](N(C)C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001033092917 680417067 /nfs/dbraw/zinc/41/70/67/680417067.db2.gz SANWCIUPAOXEAO-KSZLIROESA-N 1 0 369.937 2.019 20 30 FEEDRO C#CC[N@H+]1CCC[C@@H]1COC(=O)[C@@H](c1ccccc1)N1CCSCC1 ZINC000755664983 680427446 /nfs/dbraw/zinc/42/74/46/680427446.db2.gz ZLEZEZJVLHNWAI-RTBURBONSA-N 1 0 358.507 2.417 20 30 FEEDRO C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)CC1 ZINC001034671524 680438107 /nfs/dbraw/zinc/43/81/07/680438107.db2.gz PXTRBNPDFKXKTK-LPWJVIDDSA-N 1 0 370.799 2.102 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC2(CC[N@@H+]([C@H](C)COC)C2)CC1 ZINC001035236685 680444668 /nfs/dbraw/zinc/44/46/68/680444668.db2.gz BDIYBGLLWJIYFQ-SQNIBIBYSA-N 1 0 350.503 2.317 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CC2CC(C)(C)C2)CCO1 ZINC001035370054 680445108 /nfs/dbraw/zinc/44/51/08/680445108.db2.gz GCWYLFWXYIXFFJ-KURKYZTESA-N 1 0 350.503 2.221 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2[C@@H](C)COC ZINC001039941299 680467959 /nfs/dbraw/zinc/46/79/59/680467959.db2.gz KWHCWQVQZQUCRQ-OYSTVDSJSA-N 1 0 350.503 2.458 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC2(C1)CC[NH+](C[C@H](C)OC)CC2 ZINC001040705103 680483772 /nfs/dbraw/zinc/48/37/72/680483772.db2.gz CHCKQJVSSRESMF-KSZLIROESA-N 1 0 350.503 2.317 20 30 FEEDRO C#CC[N@H+]1CCC[C@@H]1COC(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC000756542379 680483802 /nfs/dbraw/zinc/48/38/02/680483802.db2.gz IBYKKVLAEPKYSR-WMLDXEAASA-N 1 0 360.841 2.334 20 30 FEEDRO C=C(Cl)C(C)(C)C(=O)N1CC[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@@H]2C1 ZINC000986129133 680496114 /nfs/dbraw/zinc/49/61/14/680496114.db2.gz CGKHVVQGGGCWNW-PMPSAXMXSA-N 1 0 367.921 2.024 20 30 FEEDRO C=C(Cl)CN1CCC(NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)CC1 ZINC001002846083 680510102 /nfs/dbraw/zinc/51/01/02/680510102.db2.gz AGSLYFHMBKZLQI-MSOLQXFVSA-N 1 0 369.937 2.066 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)NC1CC[NH+](C[C@H]2CC(C)(C)CO2)CC1 ZINC001002847375 680510112 /nfs/dbraw/zinc/51/01/12/680510112.db2.gz RVSYRQUPFSCZAH-KURKYZTESA-N 1 0 350.503 2.363 20 30 FEEDRO C#CC[N@H+]1CCC[C@H]1COC(=O)CCc1ccc(S(=O)(=O)CC)cc1 ZINC000757436039 680523952 /nfs/dbraw/zinc/52/39/52/680523952.db2.gz WXLXNKGCWRMHAP-KRWDZBQOSA-N 1 0 363.479 2.054 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([C@H]2CCC[N@H+]2CCCO)CC1 ZINC001004438354 680556562 /nfs/dbraw/zinc/55/65/62/680556562.db2.gz OSUUMWKEZAYPJO-QRVBRYPASA-N 1 0 350.503 2.053 20 30 FEEDRO C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1Nc1nc(C#N)c(Cl)s1 ZINC001043565696 680588094 /nfs/dbraw/zinc/58/80/94/680588094.db2.gz XKMXBHBXEDJPKC-PRULPYPASA-N 1 0 367.906 2.267 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1snnc1C ZINC001045233469 680625507 /nfs/dbraw/zinc/62/55/07/680625507.db2.gz VJSRPUHKVFVMFA-ZOBUZTSGSA-N 1 0 364.515 2.298 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1C[N@H+](CC2CCCCCC2)C[C@@H]1O ZINC001047533593 680665370 /nfs/dbraw/zinc/66/53/70/680665370.db2.gz YKHAZOMUCWPUAM-XWSJACJDSA-N 1 0 350.503 2.051 20 30 FEEDRO C=C(C[NH+](C)C)C(=O)N[C@@H]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC000838175710 680677800 /nfs/dbraw/zinc/67/78/00/680677800.db2.gz SKVCLESWZUETQG-BZUAXINKSA-N 1 0 351.491 2.256 20 30 FEEDRO CCc1c(NC(=O)N[C@H]2C[NH2+]C[C@H]2C#N)cnn1-c1cccc(Cl)c1 ZINC000841214623 680869379 /nfs/dbraw/zinc/86/93/79/680869379.db2.gz PCTMYRCKSQETKU-RISCZKNCSA-N 1 0 358.833 2.321 20 30 FEEDRO C#CC[C@H]1NC(=O)N(C[C@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)C1=O ZINC000842239974 680934251 /nfs/dbraw/zinc/93/42/51/680934251.db2.gz LEXMZNLQAYNOSX-ZIAGYGMSSA-N 1 0 353.344 2.252 20 30 FEEDRO CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccc(O[C@@H](C)C#N)cc2)C1 ZINC000843433171 681003872 /nfs/dbraw/zinc/00/38/72/681003872.db2.gz VKIWXKRNWXBQQR-BLLLJJGKSA-N 1 0 355.360 2.478 20 30 FEEDRO Cc1nsc(N2CC[C@H](NC(=O)C[NH+]3CCC(C)CC3)[C@H]2C)c1C#N ZINC001050537900 681049991 /nfs/dbraw/zinc/04/99/91/681049991.db2.gz ZPDPBBQKPSOLDH-ZBFHGGJFSA-N 1 0 361.515 2.139 20 30 FEEDRO C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1CNc1snc(Cl)c1C#N ZINC001054408411 681107590 /nfs/dbraw/zinc/10/75/90/681107590.db2.gz LNLKIEOUEHWTQW-VXGBXAGGSA-N 1 0 367.906 2.270 20 30 FEEDRO CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N ZINC000774011550 681164613 /nfs/dbraw/zinc/16/46/13/681164613.db2.gz FYGHTGXDEUKHBP-MGPQQGTHSA-N 1 0 352.479 2.028 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)C[C@@H]1CCC[C@H]1NC(=O)OC(C)(C)C ZINC000846228511 681204978 /nfs/dbraw/zinc/20/49/78/681204978.db2.gz MQJIDFZHXJIJHR-JKSUJKDBSA-N 1 0 351.491 2.141 20 30 FEEDRO C=CCN1CC[C@H]([N@H+]2CC[C@H](CNC(=O)OC(C)(C)C)[C@H](C)C2)C1=O ZINC000932709669 681293980 /nfs/dbraw/zinc/29/39/80/681293980.db2.gz XIGYMMBREBGZCV-OAGGEKHMSA-N 1 0 351.491 2.256 20 30 FEEDRO O=C1CC[C@@H](C[NH+]2C[C@@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)N1 ZINC000932945266 681333124 /nfs/dbraw/zinc/33/31/24/681333124.db2.gz UKYGQGNAYFJYAO-XLPZGREQSA-N 1 0 366.252 2.368 20 30 FEEDRO COCC#CC[N@@H+]1CCN(C(=O)OC(C)(C)C)CCC12CCOCC2 ZINC000933509063 681424434 /nfs/dbraw/zinc/42/44/34/681424434.db2.gz GNVPZJAMGAMBES-UHFFFAOYSA-N 1 0 352.475 2.128 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(C(N)=O)C1 ZINC000933756121 681464340 /nfs/dbraw/zinc/46/43/40/681464340.db2.gz NTDLGISJYLLAEB-VCBZYWHSSA-N 1 0 361.511 2.239 20 30 FEEDRO C#CC[N@H+]1CCC[C@@H]1COC(=O)CN(CC1CC1)C(=O)OC(C)(C)C ZINC000777309650 681480938 /nfs/dbraw/zinc/48/09/38/681480938.db2.gz CNDSHFRHPFKMIQ-MRXNPFEDSA-N 1 0 350.459 2.274 20 30 FEEDRO C=C(Cl)CNC(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000934041842 681500166 /nfs/dbraw/zinc/50/01/66/681500166.db2.gz KDQAWFDMYRUGGC-UHFFFAOYSA-N 1 0 353.810 2.221 20 30 FEEDRO N#CC1(C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)CCSCC1 ZINC000934333586 681553289 /nfs/dbraw/zinc/55/32/89/681553289.db2.gz KXGUHHCNHGZASV-UHFFFAOYSA-N 1 0 365.543 2.422 20 30 FEEDRO CN(CCC#N)C(=O)CC[NH2+][C@@](C)(CO)c1cccc(Br)c1 ZINC000934495099 681578663 /nfs/dbraw/zinc/57/86/63/681578663.db2.gz CECFMMQRWIWEMI-INIZCTEOSA-N 1 0 368.275 2.008 20 30 FEEDRO CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000848939983 681645701 /nfs/dbraw/zinc/64/57/01/681645701.db2.gz FIIBRUGZWQIZHJ-LSDHHAIUSA-N 1 0 352.479 2.222 20 30 FEEDRO CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000848940209 681646149 /nfs/dbraw/zinc/64/61/49/681646149.db2.gz IQERLIJWZSELLL-CABCVRRESA-N 1 0 352.479 2.161 20 30 FEEDRO CCNC(NC[C@@H](CO)Cc1ccc(OC)c(Br)c1)=[NH+]CC ZINC000849110111 681654971 /nfs/dbraw/zinc/65/49/71/681654971.db2.gz SETCGFQYEXFGIE-ZDUSSCGKSA-N 1 0 372.307 2.184 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)S(=O)(=O)CC(C)(C)C#N ZINC000913990396 685491331 /nfs/dbraw/zinc/49/13/31/685491331.db2.gz JPTPKWAAOZBYKK-UHFFFAOYSA-N 1 0 359.442 2.208 20 30 FEEDRO CC(CCCC[NH+](C)C)=NNS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000781113421 681902820 /nfs/dbraw/zinc/90/28/20/681902820.db2.gz AZPVCBVOPPHLHE-UHFFFAOYSA-N 1 0 356.448 2.289 20 30 FEEDRO C#CCN(C)C(=O)C(=O)N(CC[NH+](CC)CC)Cc1ccc(Cl)cc1 ZINC000850696722 681941194 /nfs/dbraw/zinc/94/11/94/681941194.db2.gz OTAGMSUIJCQIMF-UHFFFAOYSA-N 1 0 363.889 2.102 20 30 FEEDRO Cc1cc(C#N)cc(C)c1CS(=O)(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000914222974 685499540 /nfs/dbraw/zinc/49/95/40/685499540.db2.gz UUDKLRRXQPZNPG-QGZVFWFLSA-N 1 0 367.540 2.032 20 30 FEEDRO C=C(Br)CNC(=O)N[C@@H]1C[C@@]2(C[N@@H+](CC)[C@H]2C(C)C)C[C@H]1O ZINC000914418355 685507397 /nfs/dbraw/zinc/50/73/97/685507397.db2.gz IHEANKDVRJAGMW-NYTXWWLZSA-N 1 0 374.323 2.064 20 30 FEEDRO N#CCc1ccc(OC[C@@H](O)C[NH2+]C[C@@H](O)c2cccc(Cl)c2)cc1 ZINC000915227680 685513382 /nfs/dbraw/zinc/51/33/82/685513382.db2.gz YCBJHTQXWPTOFT-PKOBYXMFSA-N 1 0 360.841 2.469 20 30 FEEDRO C=CCn1c2nnc(SC[C@H]3CCC[N@H+]3C)n2c2ccccc2c1=O ZINC000915244219 685513574 /nfs/dbraw/zinc/51/35/74/685513574.db2.gz RTGOOYGDTFZZTK-CYBMUJFWSA-N 1 0 355.467 2.417 20 30 FEEDRO CC[NH+](CC)Cc1cc(C(C)=NNC(=S)N[C@@H](C)COC)ccc1O ZINC000916541397 685525333 /nfs/dbraw/zinc/52/53/33/685525333.db2.gz SOTBITFSFCPENL-ZDUSSCGKSA-N 1 0 366.531 2.457 20 30 FEEDRO C[NH+](C)[C@H](CNc1cccc(S(N)(=O)=O)c1C#N)c1ccc(F)cc1 ZINC000784573238 682238453 /nfs/dbraw/zinc/23/84/53/682238453.db2.gz XBQKDBKAVCJUQM-MRXNPFEDSA-N 1 0 362.430 2.060 20 30 FEEDRO C[C@@H](C#N)OCC[NH+]1CCC([C@@H]2CCCN(C(=O)C(F)(F)F)C2)CC1 ZINC000852599822 682306222 /nfs/dbraw/zinc/30/62/22/682306222.db2.gz BHKYMXGCSXMVCX-DZGCQCFKSA-N 1 0 361.408 2.428 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H](C)C1C[NH+](CCC2CCOCC2)C1 ZINC000970572430 682307952 /nfs/dbraw/zinc/30/79/52/682307952.db2.gz VBGRUVOUYBBDDF-SNRMKQJTSA-N 1 0 350.503 2.221 20 30 FEEDRO CC(C)(C)S(=O)(=O)Cc1cccc(NC(=O)C#CC2CC[NH2+]CC2)c1 ZINC000852840463 682349399 /nfs/dbraw/zinc/34/93/99/682349399.db2.gz VHEZTAXJMJYACP-UHFFFAOYSA-N 1 0 362.495 2.341 20 30 FEEDRO COc1ccc(Cl)cc1N1CC[C@H](NC(=O)C#CC2CC[NH2+]CC2)C1 ZINC000852865017 682351596 /nfs/dbraw/zinc/35/15/96/682351596.db2.gz PISPAKOHGYSVJM-INIZCTEOSA-N 1 0 361.873 2.047 20 30 FEEDRO O=C(C#CC1CC[NH2+]CC1)N1CCO[C@@H](c2c(F)cccc2Cl)C1 ZINC000852894608 682354756 /nfs/dbraw/zinc/35/47/56/682354756.db2.gz RWYNGNJZWBSFTK-MRXNPFEDSA-N 1 0 350.821 2.382 20 30 FEEDRO C=C(Br)CN(C)[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC000971567585 682361369 /nfs/dbraw/zinc/36/13/69/682361369.db2.gz RFPQXVPQPHPZMO-QLFBSQMISA-N 1 0 358.324 2.158 20 30 FEEDRO C#CCN(CC(=O)OC(C)(C)C)C(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000853475808 682420288 /nfs/dbraw/zinc/42/02/88/682420288.db2.gz WWVCDZLRAZDCTJ-JKSUJKDBSA-N 1 0 351.491 2.093 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)NC/C=C\CNC(=O)OC(C)(C)C)CC1 ZINC000788022761 682497196 /nfs/dbraw/zinc/49/71/96/682497196.db2.gz DAGVUAZHYLKAFS-SREVYHEPSA-N 1 0 352.479 2.017 20 30 FEEDRO COc1cc(C(=O)N(CCC#N)CCC[NH+](C)C)cnc1Br ZINC000788192063 682510182 /nfs/dbraw/zinc/51/01/82/682510182.db2.gz GKVUAVNTAFRYRV-UHFFFAOYSA-N 1 0 369.263 2.160 20 30 FEEDRO C#CC[C@]1(C(=O)NCC[NH2+]C(C)(C)C)CCCN1C(=O)OC(C)(C)C ZINC000788308227 682519491 /nfs/dbraw/zinc/51/94/91/682519491.db2.gz WEQWQPCPNAKCOC-LJQANCHMSA-N 1 0 351.491 2.284 20 30 FEEDRO C#CCN(CC(=O)NC[C@H](c1cccs1)[NH+](C)C)C(=O)OC(C)(C)C ZINC000854240758 682528510 /nfs/dbraw/zinc/52/85/10/682528510.db2.gz WQXAJXSCOOWKLT-CQSZACIVSA-N 1 0 365.499 2.337 20 30 FEEDRO O=C(C#Cc1ccc(C(F)(F)F)cc1)NC[C@H](O)C[NH+]1CCCCC1 ZINC000790797093 682702524 /nfs/dbraw/zinc/70/25/24/682702524.db2.gz ZXNXZYNNNZOORR-INIZCTEOSA-N 1 0 354.372 2.020 20 30 FEEDRO CCCC[N@H+](C)CC1CCN(Cn2nc(CC#N)n(C)c2=S)CC1 ZINC000794632354 682985513 /nfs/dbraw/zinc/98/55/13/682985513.db2.gz PJFHXWHAGJSQRK-UHFFFAOYSA-N 1 0 350.536 2.419 20 30 FEEDRO C#CC[C@H](CCOC)NC(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000859024867 683028211 /nfs/dbraw/zinc/02/82/11/683028211.db2.gz KGVVVSGQUUPKOE-QGZVFWFLSA-N 1 0 367.559 2.466 20 30 FEEDRO C=CCN1CC[C@H]([N@H+](CCC)[C@H]2CCN(C(=O)OC(C)(C)C)C2)C1=O ZINC000799119383 683423735 /nfs/dbraw/zinc/42/37/35/683423735.db2.gz CVHWFSXXOSAHSW-HOTGVXAUSA-N 1 0 351.491 2.495 20 30 FEEDRO C=CCN1CC[C@@H]([N@H+](CCC)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1=O ZINC000799119388 683423799 /nfs/dbraw/zinc/42/37/99/683423799.db2.gz CVHWFSXXOSAHSW-HZPDHXFCSA-N 1 0 351.491 2.495 20 30 FEEDRO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)C1=O ZINC000799142452 683426906 /nfs/dbraw/zinc/42/69/06/683426906.db2.gz SXSQKZKHWIBGBM-OAGGEKHMSA-N 1 0 351.491 2.399 20 30 FEEDRO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCC(CNC(=O)C(F)(F)F)CC1 ZINC000799174230 683432949 /nfs/dbraw/zinc/43/29/49/683432949.db2.gz LHMXDDRBRASACT-ZDUSSCGKSA-N 1 0 363.424 2.190 20 30 FEEDRO CC(C)(C)OC(=O)NC[C@H]([NH2+]CC(=O)NC1(C#N)CCC1)C(C)(C)C ZINC000799202660 683436371 /nfs/dbraw/zinc/43/63/71/683436371.db2.gz XXCBGVYUKQUDBO-ZDUSSCGKSA-N 1 0 352.479 2.078 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)c2cc(Br)cc(N(C)C)c2)CC1 ZINC000928651168 683481553 /nfs/dbraw/zinc/48/15/53/683481553.db2.gz PKOLYJRTVAKUME-UHFFFAOYSA-N 1 0 364.287 2.343 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CC1 ZINC000928653881 683482190 /nfs/dbraw/zinc/48/21/90/683482190.db2.gz DNVDZEITCHQRCO-UHFFFAOYSA-N 1 0 353.325 2.024 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)[C@@](C)(CCC)NC(=O)OC(C)(C)C)CC1 ZINC000928658262 683482961 /nfs/dbraw/zinc/48/29/61/683482961.db2.gz OPFVOHUSZGMEJP-LJQANCHMSA-N 1 0 351.491 2.284 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC000861838098 683483278 /nfs/dbraw/zinc/48/32/78/683483278.db2.gz QGYPUDIIEVNSGM-GDBMZVCRSA-N 1 0 354.372 2.240 20 30 FEEDRO C[NH+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C#N)C1CCCC1 ZINC000921554779 683500349 /nfs/dbraw/zinc/50/03/49/683500349.db2.gz OFEZQYUOJNBMMY-HUUCEWRRSA-N 1 0 352.479 2.030 20 30 FEEDRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)Nc3ccc(C#N)c(Cl)c3)CC2)C1 ZINC000929256682 683569286 /nfs/dbraw/zinc/56/92/86/683569286.db2.gz HDBMLOBCSODKLR-MRXNPFEDSA-N 1 0 361.877 2.455 20 30 FEEDRO C=CC1(CC(=O)NC[C@H]2CCC[N@H+]2CC)CN(C(=O)OC(C)(C)C)C1 ZINC000929463608 683598875 /nfs/dbraw/zinc/59/88/75/683598875.db2.gz XZNUJBPFSJFXSV-OAHLLOKOSA-N 1 0 351.491 2.400 20 30 FEEDRO C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)Cc1cccc2cccnc21 ZINC000922023809 683639225 /nfs/dbraw/zinc/63/92/25/683639225.db2.gz MMTVUIDKNKTTKG-UHFFFAOYSA-N 1 0 357.479 2.094 20 30 FEEDRO CC[NH+](CC)Cc1cc(C(C)=NN[C@H]2CCCS(=O)(=O)C2)ccc1O ZINC000863130115 683679337 /nfs/dbraw/zinc/67/93/37/683679337.db2.gz QCYVHHDTINBAMB-KRWDZBQOSA-N 1 0 367.515 2.125 20 30 FEEDRO CC[N@@H+]1CCC[C@@H]1Cn1c(C)cc(C=NNC(COC)COC)c1C ZINC000863197107 683683806 /nfs/dbraw/zinc/68/38/06/683683806.db2.gz HTZYFIUOBUZOMT-LJQANCHMSA-N 1 0 350.507 2.174 20 30 FEEDRO C=CCn1c(C)nn(CN2CCC(C)([NH+]3CCOCC3)CC2)c1=S ZINC000863314403 683703595 /nfs/dbraw/zinc/70/35/95/683703595.db2.gz IUBNCSSESFGJER-UHFFFAOYSA-N 1 0 351.520 2.053 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)NCc2ccsc2Br)CC1 ZINC000922371133 683708938 /nfs/dbraw/zinc/70/89/38/683708938.db2.gz QURMJWSKDJGXSG-UHFFFAOYSA-N 1 0 356.289 2.407 20 30 FEEDRO N#Cc1ccccc1OC[C@H](O)C[NH2+]C[C@H](O)c1cc(F)cc(Cl)c1 ZINC000863562552 683742662 /nfs/dbraw/zinc/74/26/62/683742662.db2.gz KZTDALSJVCWPAN-SJORKVTESA-N 1 0 364.804 2.414 20 30 FEEDRO C#CC[C@@H](CCOC)[NH2+]C[C@]1(O)CCCN(C(=O)OC(C)(C)C)CC1 ZINC000863589926 683747121 /nfs/dbraw/zinc/74/71/21/683747121.db2.gz ZSQBROZTKLDVKL-LPHOPBHVSA-N 1 0 354.491 2.157 20 30 FEEDRO C#CC[C@@H](COC)NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC000863804858 683774810 /nfs/dbraw/zinc/77/48/10/683774810.db2.gz KJJVTIMSIXJXBU-DLBZAZTESA-N 1 0 350.409 2.298 20 30 FEEDRO C#CC1(O)CC[NH+](CCC(=O)Nc2ccc(Br)cc2)CC1 ZINC000931145948 683841391 /nfs/dbraw/zinc/84/13/91/683841391.db2.gz XJRHESLBKSQKHA-UHFFFAOYSA-N 1 0 351.244 2.238 20 30 FEEDRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)c2sccc2CC#N)CC1 ZINC000865078507 683932703 /nfs/dbraw/zinc/93/27/03/683932703.db2.gz RATJQYRZHBBCPR-IYBDPMFKSA-N 1 0 360.527 2.445 20 30 FEEDRO C=C(Cl)C[C@@H]1NC(=O)N([C@@H]2CC[N@@H+](CCCOCC)C[C@@H]2C)C1=O ZINC000865304422 683965000 /nfs/dbraw/zinc/96/50/00/683965000.db2.gz VBKZHLNBWMMJGK-AEGPPILISA-N 1 0 357.882 2.186 20 30 FEEDRO C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000865608559 684004642 /nfs/dbraw/zinc/00/46/42/684004642.db2.gz KXMICNAUXVQVTH-KGLIPLIRSA-N 1 0 359.898 2.480 20 30 FEEDRO CCC1([NH+]2CCCC2)CCN(c2cccc(S(N)(=O)=O)c2C#N)CC1 ZINC000866024232 684061826 /nfs/dbraw/zinc/06/18/26/684061826.db2.gz RIFCBNDJZLLYAZ-UHFFFAOYSA-N 1 0 362.499 2.050 20 30 FEEDRO CN1CC[NH+](C2CCN(c3nc(C(F)(F)F)ccc3C#N)CC2)CC1 ZINC000866215214 684083701 /nfs/dbraw/zinc/08/37/01/684083701.db2.gz WIPSVMMTJFCKFV-UHFFFAOYSA-N 1 0 353.392 2.188 20 30 FEEDRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H]2Cc3ccc(C#N)cc3C2)cc1 ZINC000866614634 684126179 /nfs/dbraw/zinc/12/61/79/684126179.db2.gz KTPDFUIYAJVYJG-SCLBCKFNSA-N 1 0 355.463 2.284 20 30 FEEDRO N#Cc1cc(F)cc(S(=O)(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000866766337 684148213 /nfs/dbraw/zinc/14/82/13/684148213.db2.gz OUXCYHHAVXUUNG-HUUCEWRRSA-N 1 0 351.447 2.098 20 30 FEEDRO N#Cc1cc(S(=O)(=O)N2C3CCC2(C[NH3+])CC3)ccc1C(F)(F)F ZINC000866794498 684154349 /nfs/dbraw/zinc/15/43/49/684154349.db2.gz LIBFOXQNFAYPQH-UHFFFAOYSA-N 1 0 359.373 2.221 20 30 FEEDRO FC1(F)[C@@H]2CN(C[C@@H]3C[NH2+]CCO3)C[C@H]2C(F)(F)C(F)(F)C1(F)F ZINC000923530819 684299737 /nfs/dbraw/zinc/29/97/37/684299737.db2.gz KERCIRBABOSFPM-DJLDLDEBSA-N 1 0 368.268 2.078 20 30 FEEDRO C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000867874121 684415903 /nfs/dbraw/zinc/41/59/03/684415903.db2.gz YCCHDQSCSZIAJO-MJBXVCDLSA-N 1 0 357.882 2.042 20 30 FEEDRO COCCN(Cc1cccs1)C(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000867949674 684430984 /nfs/dbraw/zinc/43/09/84/684430984.db2.gz GBQUXBNCTUMCAI-SFHVURJKSA-N 1 0 355.463 2.482 20 30 FEEDRO C[NH2+]CCOCCN(C)C(=O)N[C@H](c1cccc(C#N)c1)C(F)(F)F ZINC000868211988 684465095 /nfs/dbraw/zinc/46/50/95/684465095.db2.gz ZSDURPOWUZTKLB-CQSZACIVSA-N 1 0 358.364 2.039 20 30 FEEDRO C[NH+](C)C[C@H]1NC(=O)N(Cc2cccc(-c3ccc(C#N)s3)c2)C1=O ZINC000924689545 684480636 /nfs/dbraw/zinc/48/06/36/684480636.db2.gz YOCPSUZVNVFGCT-OAHLLOKOSA-N 1 0 354.435 2.269 20 30 FEEDRO C=CC[C@@H](C)NC(=O)NCC[NH+]1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000924881584 684502856 /nfs/dbraw/zinc/50/28/56/684502856.db2.gz LODYNGAYLZKRKV-CQSZACIVSA-N 1 0 354.495 2.239 20 30 FEEDRO Cc1ccc(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)c(C#N)c1 ZINC000871806222 684858685 /nfs/dbraw/zinc/85/86/85/684858685.db2.gz ZCQBAONPNQLVFO-QWHCGFSZSA-N 1 0 361.389 2.015 20 30 FEEDRO COc1cc(C#N)ccc1S(=O)(=O)N[C@H]1CCCCC12CC[NH2+]CC2 ZINC000871819534 684863062 /nfs/dbraw/zinc/86/30/62/684863062.db2.gz VRWLLIIKQBJGBR-KRWDZBQOSA-N 1 0 363.483 2.158 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)Nc1cc2n(n1)CC[N@H+](C)C2 ZINC000871928653 684884301 /nfs/dbraw/zinc/88/43/01/684884301.db2.gz IHWCAHKDSSHELM-CQSZACIVSA-N 1 0 359.499 2.405 20 30 FEEDRO C=CCNC(=O)C[NH2+][C@@H](c1cccc(Br)c1)[C@@H]1CCOC1 ZINC000872058298 684917456 /nfs/dbraw/zinc/91/74/56/684917456.db2.gz QTJJKTLYADPLQQ-CJNGLKHVSA-N 1 0 353.260 2.419 20 30 FEEDRO N#Cc1ccc(OC[C@H](O)C[NH2+]C[C@@H](O)Cc2cccc(Cl)c2)cc1 ZINC000872246753 684931828 /nfs/dbraw/zinc/93/18/28/684931828.db2.gz FPQTVEVECWVBQO-ZWKOTPCHSA-N 1 0 360.841 2.145 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NCC1(c2ccc3c(c2)OCO3)CCOCC1 ZINC000876618893 686229342 /nfs/dbraw/zinc/22/93/42/686229342.db2.gz IMVIZFNESGEKAI-AWEZNQCLSA-N 1 0 366.845 2.050 20 30 FEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCN(C(=O)CCCc2ccccc2)CC1 ZINC000876636560 686234140 /nfs/dbraw/zinc/23/41/40/686234140.db2.gz YXQMKDAJEMPNIQ-QGZVFWFLSA-N 1 0 363.889 2.150 20 30 FEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@@H](CCC)C(=O)N1CCc2sccc2C1 ZINC000876638002 686234635 /nfs/dbraw/zinc/23/46/35/686234635.db2.gz ZAEKQBUFGLDUOH-KGLIPLIRSA-N 1 0 369.918 2.388 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000876713616 686251401 /nfs/dbraw/zinc/25/14/01/686251401.db2.gz LPEDCHMHLKHZAO-AWEZNQCLSA-N 1 0 351.882 2.027 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[C@@H](C(=O)Nc2cccc(C)n2)C1 ZINC000876727680 686254383 /nfs/dbraw/zinc/25/43/83/686254383.db2.gz QSMDEVZGWVFAPP-KGLIPLIRSA-N 1 0 350.850 2.037 20 30 FEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1ccc(O[C@@H]2CCN(C)C2=O)cc1C ZINC000876899422 686290895 /nfs/dbraw/zinc/29/08/95/686290895.db2.gz XJXKBBNDLMULGW-UKRRQHHQSA-N 1 0 351.834 2.013 20 30 FEEDRO CN(CCC#N)C(=O)CC[NH2+][C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C1(C)C ZINC000878826533 686669643 /nfs/dbraw/zinc/66/96/43/686669643.db2.gz UZSRRKIDNLMOHT-ZIAGYGMSSA-N 1 0 352.479 2.030 20 30 FEEDRO C[C@H]1CN(CC(=O)NCc2ccc(C#N)cc2)CC[C@@H](C(F)(F)F)O1 ZINC000880061386 686990962 /nfs/dbraw/zinc/99/09/62/686990962.db2.gz UHCFXJIVLZKOBS-WFASDCNBSA-N 1 0 355.360 2.216 20 30 FEEDRO C[C@@H]1C[N@H+](C[C@@H](O)CC2(C#N)CCOCC2)CC[C@H](C(F)(F)F)O1 ZINC000880065218 686992004 /nfs/dbraw/zinc/99/20/04/686992004.db2.gz RZLGYXDDEPJABV-HZSPNIEDSA-N 1 0 350.381 2.099 20 30 FEEDRO N#Cc1ccc(NC(=O)CC[NH+]2CCC3(CC2)COCCO3)cc1Cl ZINC000880545115 687059807 /nfs/dbraw/zinc/05/98/07/687059807.db2.gz RFCWHINUHZSLSJ-UHFFFAOYSA-N 1 0 363.845 2.422 20 30 FEEDRO COc1ccc(C[N@H+](CCO)CCC(=O)Nc2sccc2C#N)cc1 ZINC000880569915 687060860 /nfs/dbraw/zinc/06/08/60/687060860.db2.gz LIWHYZKAQXTLNX-UHFFFAOYSA-N 1 0 359.451 2.451 20 30 FEEDRO C[NH+](C)CCOC1CCN(c2ncc(C#N)cc2Br)CC1 ZINC000881976509 687275655 /nfs/dbraw/zinc/27/56/55/687275655.db2.gz XKSDWLUTJXHJIN-UHFFFAOYSA-N 1 0 353.264 2.263 20 30 FEEDRO C#CC[C@@H](CO)[NH2+]Cc1cc(OC)c(OCC(F)(F)F)cc1[N+](=O)[O-] ZINC000883124058 687572668 /nfs/dbraw/zinc/57/26/68/687572668.db2.gz UPFJJFMRJDHDEA-NSHDSACASA-N 1 0 362.304 2.018 20 30 FEEDRO C#CC[C@@H](CO)[NH2+]C1CCN(Cc2ccccc2Br)CC1 ZINC000883124711 687573006 /nfs/dbraw/zinc/57/30/06/687573006.db2.gz NOTOCWLPUKFIQA-INIZCTEOSA-N 1 0 351.288 2.387 20 30 FEEDRO C=CCC[C@@H]([NH2+]Cc1ccc(CS(=O)(=O)NC)cc1)[C@@H]1CCCO1 ZINC000883175312 687582021 /nfs/dbraw/zinc/58/20/21/687582021.db2.gz DOJCSLUCQXWHSW-MSOLQXFVSA-N 1 0 352.500 2.339 20 30 FEEDRO C=CCC[C@@H](COc1ccccc1)[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000883207771 687588374 /nfs/dbraw/zinc/58/83/74/687588374.db2.gz SJOOYBJWJRDZTA-SJORKVTESA-N 1 0 352.500 2.271 20 30 FEEDRO N#C[C@@H]1C[NH2+]CC12CC(C(=O)NCc1cc(Br)cs1)C2 ZINC000884089807 687786698 /nfs/dbraw/zinc/78/66/98/687786698.db2.gz ANCFUZWJHTZHST-OPASDULOSA-N 1 0 354.273 2.266 20 30 FEEDRO N#C[C@H]1C[NH2+]CC12CC(C(=O)NCc1c(F)cccc1OC(F)F)C2 ZINC000884168469 687806885 /nfs/dbraw/zinc/80/68/85/687806885.db2.gz GJNLVWJGBXEFDN-GCULGPDHSA-N 1 0 353.344 2.183 20 30 FEEDRO N#Cc1ccc(CSCC(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)cc1 ZINC000885863700 688172532 /nfs/dbraw/zinc/17/25/32/688172532.db2.gz UKGFUZGHMMMHGI-SFHVURJKSA-N 1 0 359.495 2.161 20 30 FEEDRO C#CC[C@@H]1CC[N@@H+](Cc2cc(OCC)n3nc(C(F)(F)F)nc3n2)C1 ZINC000886361580 688235517 /nfs/dbraw/zinc/23/55/17/688235517.db2.gz NHQPQJOCLKRQFI-LLVKDONJSA-N 1 0 353.348 2.387 20 30 FEEDRO C#CCN(C(=O)[C@H](O)c1cccc(Br)c1)C1CC[NH+](C)CC1 ZINC000886572646 688278156 /nfs/dbraw/zinc/27/81/56/688278156.db2.gz VCLXCJZIKODTSJ-MRXNPFEDSA-N 1 0 365.271 2.039 20 30 FEEDRO C=CCC1(O)CC[NH+](CC(=O)N(C)Cc2ccc(OC)c(F)c2)CC1 ZINC000886755405 688301557 /nfs/dbraw/zinc/30/15/57/688301557.db2.gz HVYOKDVEGCIAFL-UHFFFAOYSA-N 1 0 350.434 2.196 20 30 FEEDRO N#CCCc1ccc(S(=O)(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)cc1 ZINC000886886406 688332388 /nfs/dbraw/zinc/33/23/88/688332388.db2.gz GSCMMKQUIOKXIH-RBUKOAKNSA-N 1 0 355.463 2.258 20 30 FEEDRO COC[C@H]([NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1)[C@H]1CCCOC1 ZINC000886910122 688339331 /nfs/dbraw/zinc/33/93/31/688339331.db2.gz LRJAKDUCEUENFQ-BBRMVZONSA-N 1 0 351.834 2.181 20 30 FEEDRO CC[C@H](C)[C@H]([NH2+]CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1)C(N)=O ZINC000887061044 688362619 /nfs/dbraw/zinc/36/26/19/688362619.db2.gz HYCSCTHDRBTMHB-SJCJKPOMSA-N 1 0 364.877 2.385 20 30 FEEDRO C#CCC1([NH2+]CC(=O)Nc2nnc(-c3sccc3C)o2)CCOCC1 ZINC000887123267 688369817 /nfs/dbraw/zinc/36/98/17/688369817.db2.gz HNQJAYUFYAHETK-UHFFFAOYSA-N 1 0 360.439 2.207 20 30 FEEDRO C#CCC1([NH2+]CCCS(=O)(=O)c2ccccc2OC)CCOCC1 ZINC000887122159 688369839 /nfs/dbraw/zinc/36/98/39/688369839.db2.gz MZPXGSHBNALNOY-UHFFFAOYSA-N 1 0 351.468 2.021 20 30 FEEDRO C=CCC1(O)CCN(C(=O)NCC2([NH+]3CCSCC3)CCCC2)CC1 ZINC000887773192 688490485 /nfs/dbraw/zinc/49/04/85/688490485.db2.gz NGQIKPGWFSDFRS-UHFFFAOYSA-N 1 0 367.559 2.461 20 30 FEEDRO C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC000887921412 688520256 /nfs/dbraw/zinc/52/02/56/688520256.db2.gz GPLIQJDZMNCFKZ-GLJUWKHASA-N 1 0 371.909 2.432 20 30 FEEDRO C[NH+](C)CCOc1ccc(/C=C\C(=O)NCc2nc(C#N)cs2)cc1 ZINC000887975140 688529188 /nfs/dbraw/zinc/52/91/88/688529188.db2.gz MTWLYPQUSUAMFT-YVMONPNESA-N 1 0 356.451 2.285 20 30 FEEDRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC000891717299 689096674 /nfs/dbraw/zinc/09/66/74/689096674.db2.gz COQKUZDAVJSKTF-HOCLYGCPSA-N 1 0 351.372 2.402 20 30 FEEDRO C[N@@H+]1CCC[C@H](CNC(=O)N2CCO[C@](C)(C#N)C2)[C@H]1c1cccs1 ZINC000893201066 689312985 /nfs/dbraw/zinc/31/29/85/689312985.db2.gz VOQHNPXLTITIGW-UWWQBHOKSA-N 1 0 362.499 2.455 20 30 FEEDRO C=CC[C@H](CO)C[NH2+][C@H]1C[C@H](NC(=O)OC(C)(C)C)C12CCOCC2 ZINC000893283652 689326096 /nfs/dbraw/zinc/32/60/96/689326096.db2.gz NEEVTUFBJWENMB-JYJNAYRXSA-N 1 0 354.491 2.223 20 30 FEEDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCc1nc(C#N)cs1 ZINC000894231960 689491234 /nfs/dbraw/zinc/49/12/34/689491234.db2.gz AOXKLFWLWMGWJO-CJNGLKHVSA-N 1 0 355.467 2.334 20 30 FEEDRO CSc1ccc([C@@H](CNC(=O)N2CCO[C@@](C)(C#N)C2)[NH+](C)C)cc1 ZINC000895058195 689650219 /nfs/dbraw/zinc/65/02/19/689650219.db2.gz JNNZIEFCUQXCKA-AEFFLSMTSA-N 1 0 362.499 2.335 20 30 FEEDRO C#CC[C@@H](CO)[NH2+]C1CCC(NC(=O)COc2ccc(Cl)cc2)CC1 ZINC000895490286 689725991 /nfs/dbraw/zinc/72/59/91/689725991.db2.gz NMVQUNRYEMTNTD-JCYILVPMSA-N 1 0 364.873 2.120 20 30 FEEDRO Cc1nc(NC(=O)C2C[NH+](C3CCOCC3)C2)sc1SCC#N ZINC000895747252 689765154 /nfs/dbraw/zinc/76/51/54/689765154.db2.gz GNBNTXONJSZXIT-UHFFFAOYSA-N 1 0 352.485 2.117 20 30 FEEDRO C=CC(C)(C)NC(=O)NCC[NH+]1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000896598616 689903388 /nfs/dbraw/zinc/90/33/88/689903388.db2.gz COQOGEQWKSYQAK-UHFFFAOYSA-N 1 0 354.495 2.239 20 30 FEEDRO N#Cc1cc(Br)ccc1N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000897221576 689990359 /nfs/dbraw/zinc/99/03/59/689990359.db2.gz NISASRCRIZRKHQ-JKSUJKDBSA-N 1 0 350.260 2.356 20 30 FEEDRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)NCc2nc(C#N)cs2)cc1 ZINC000897275778 689999150 /nfs/dbraw/zinc/99/91/50/689999150.db2.gz SHUMDJDGDWKRBY-OAHLLOKOSA-N 1 0 359.455 2.125 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)[C@@H](O)c1cccc(Br)c1 ZINC000900378000 690509102 /nfs/dbraw/zinc/50/91/02/690509102.db2.gz JCYBIDVEEVKZML-HNNXBMFYSA-N 1 0 368.275 2.176 20 30 FEEDRO C#CCN(Cn1nc(N2CCCC2)sc1=S)C1CC[NH+](C)CC1 ZINC000902539735 690776605 /nfs/dbraw/zinc/77/66/05/690776605.db2.gz PTNBNXRYUISXRH-UHFFFAOYSA-N 1 0 351.545 2.261 20 30 FEEDRO Cc1cc(C#N)cc(C)c1CS(=O)(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000903513569 690906032 /nfs/dbraw/zinc/90/60/32/690906032.db2.gz OXWATZZQQCKUCL-UHFFFAOYSA-N 1 0 361.511 2.469 20 30 FEEDRO N#Cc1sc2ccccc2c1S(=O)(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC000903518369 690908276 /nfs/dbraw/zinc/90/82/76/690908276.db2.gz ZZOTVKHNJISYBN-SNVBAGLBSA-N 1 0 371.434 2.296 20 30 FEEDRO C#C[C@H]1CC[C@H]([NH2+]C[C@@H](O)CC2(O)CCC(C(=O)OCC)CC2)CC1 ZINC000905415357 691116107 /nfs/dbraw/zinc/11/61/07/691116107.db2.gz GILDQYYJBLRZPH-GEONRVCZSA-N 1 0 351.487 2.003 20 30 FEEDRO C[NH+](C)C[C@@H]1CCCN1S(=O)(=O)c1ccc(Br)c(C#N)c1 ZINC000907053813 691382053 /nfs/dbraw/zinc/38/20/53/691382053.db2.gz XPCVMGAJSBGTOW-LBPRGKRZSA-N 1 0 372.288 2.035 20 30 FEEDRO CC(C)[NH2+]C1(CO)CCN(C(=O)C(F)(F)c2ccccc2C#N)CC1 ZINC000908612986 691704757 /nfs/dbraw/zinc/70/47/57/691704757.db2.gz MUWKSOZGAFPCDD-UHFFFAOYSA-N 1 0 351.397 2.002 20 30 FEEDRO C[N@@H+]1CCO[C@@H]2CN(c3ccc(COc4ccc(CC#N)cc4)cn3)C[C@@H]21 ZINC001164673102 719448727 /nfs/dbraw/zinc/44/87/27/719448727.db2.gz SJZWFFUAVVMNCP-VQTJNVASSA-N 1 0 364.449 2.246 20 30 FEEDRO CC(C)N(C)Cc1nn(-c2ncnc3ccc(C#N)cc32)c2c1CC[NH2+]C2 ZINC001164681867 719610872 /nfs/dbraw/zinc/61/08/72/719610872.db2.gz BLZFHRLZKIORNK-UHFFFAOYSA-N 1 0 361.453 2.173 20 30 FEEDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncc(C#N)cc1C#N)C2 ZINC001164806381 720094360 /nfs/dbraw/zinc/09/43/60/720094360.db2.gz BTZGDOYKFYYYIG-AZUAARDMSA-N 1 0 351.454 2.010 20 30 FEEDRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(C#N)ccc1[N+](=O)[O-])C2 ZINC001164813782 720114299 /nfs/dbraw/zinc/11/42/99/720114299.db2.gz QNERGRFHZBKGRW-DNVCBOLYSA-N 1 0 371.441 2.046 20 30 FEEDRO Cc1ccnc(N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)c1C#N ZINC001164814647 720212373 /nfs/dbraw/zinc/21/23/73/720212373.db2.gz VRNCQBXQOWRNKC-UHFFFAOYSA-N 1 0 366.469 2.069 20 30 FEEDRO Cc1nc(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)ccc1C#N ZINC001164828911 720328241 /nfs/dbraw/zinc/32/82/41/720328241.db2.gz KNLVMYQAHCIMQP-OALUTQOASA-N 1 0 367.497 2.173 20 30 FEEDRO C=CCOc1cc(C)nc(N2C[C@@H]3C[N@H+](Cc4cnn(C)c4)CC[C@@H]3C2)n1 ZINC001164769908 721137555 /nfs/dbraw/zinc/13/75/55/721137555.db2.gz PZLTUMGWYZNNGK-MSOLQXFVSA-N 1 0 368.485 2.042 20 30 FEEDRO N#Cc1cnc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c(C#N)c1 ZINC001164898172 721523555 /nfs/dbraw/zinc/52/35/55/721523555.db2.gz IDBYGMBIOWKUBR-IEBWSBKVSA-N 1 0 363.396 2.306 20 30 FEEDRO Cc1nc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)cnc1C#N ZINC001164912377 721548234 /nfs/dbraw/zinc/54/82/34/721548234.db2.gz ZJXHWTNLUGLBPD-DOTOQJQBSA-N 1 0 353.401 2.138 20 30 FEEDRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2cc(C#N)cc(Cl)n2)CC1 ZINC001165008868 721728737 /nfs/dbraw/zinc/72/87/37/721728737.db2.gz SNWQOLDEOVKSFO-UHFFFAOYSA-N 1 0 361.877 2.130 20 30 FEEDRO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2C(F)(F)c1nc(Cl)ccc1C#N ZINC001164928291 721865594 /nfs/dbraw/zinc/86/55/94/721865594.db2.gz YBIQKVKQBGVZQJ-ZIAGYGMSSA-N 1 0 369.847 2.366 20 30 FEEDRO N#Cc1ccnc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c1F ZINC001164980432 722117164 /nfs/dbraw/zinc/11/71/64/722117164.db2.gz RECRPXRDMSGRFC-QZTJIDSGSA-N 1 0 367.428 2.215 20 30 FEEDRO C[NH+](C)CCOCc1ncn2c1CN(c1ncc(Cl)cc1C#N)CCC2 ZINC001165002230 722255152 /nfs/dbraw/zinc/25/51/52/722255152.db2.gz LTIIAJHTAMCKRW-UHFFFAOYSA-N 1 0 374.876 2.292 20 30 FEEDRO N#Cc1ccc(-n2ccc(NC(=O)N[C@H]3CC[NH2+]C34CCC4)n2)c(F)c1 ZINC000528685482 887665020 /nfs/dbraw/zinc/66/50/20/887665020.db2.gz HLDMZMVOZCPLLA-HNNXBMFYSA-N 1 0 354.389 2.289 20 30 FEEDRO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CC[NH+](CCc2ccccc2)CC1 ZINC000022747544 539698116 /nfs/dbraw/zinc/69/81/16/539698116.db2.gz ITJZECVRQPFHKX-NQIIRXRSSA-N 1 0 356.514 2.290 20 30 FEEDRO COC(=O)C1CC[NH+](CCC(=O)Nc2sc3c(c2C#N)CCC3)CC1 ZINC000028852088 539838497 /nfs/dbraw/zinc/83/84/97/539838497.db2.gz BHISBMQWYSKQKR-UHFFFAOYSA-N 1 0 361.467 2.322 20 30 FEEDRO Cc1noc(CCCC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000041688840 540030510 /nfs/dbraw/zinc/03/05/10/540030510.db2.gz SSTOTAPKNNHKAL-UHFFFAOYSA-N 1 0 367.453 2.307 20 30 FEEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)CCOC[C@H]3CCCO3)CC2)cc1 ZINC000076273806 542253387 /nfs/dbraw/zinc/25/33/87/542253387.db2.gz KJQVAYKHCNTGDE-HXUWFJFHSA-N 1 0 371.481 2.178 20 30 FEEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000045812539 540229181 /nfs/dbraw/zinc/22/91/81/540229181.db2.gz UIYDVZUVROHJHS-OLZOCXBDSA-N 1 0 358.442 2.086 20 30 FEEDRO C[C@H]1CC[N@H+](CCNC(=O)C(=O)Nc2scc(C(C)(C)C)c2C#N)C1 ZINC000550470475 674097970 /nfs/dbraw/zinc/09/79/70/674097970.db2.gz JKEKWIFLEYLDHF-LBPRGKRZSA-N 1 0 362.499 2.314 20 30 FEEDRO CC1CC[NH+](CCCNC(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)CC1 ZINC000049299285 540386793 /nfs/dbraw/zinc/38/67/93/540386793.db2.gz YBRKZNHLJRJGAS-UHFFFAOYSA-N 1 0 362.861 2.388 20 30 FEEDRO CC1CCN(C(=O)CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000054642485 540599788 /nfs/dbraw/zinc/59/97/88/540599788.db2.gz UNJKUXXCKROHJJ-UHFFFAOYSA-N 1 0 354.498 2.324 20 30 FEEDRO C[C@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)CCOc1ccccc1C#N ZINC000057843626 540818923 /nfs/dbraw/zinc/81/89/23/540818923.db2.gz FVCPNAURPXXFHG-CQSZACIVSA-N 1 0 359.451 2.277 20 30 FEEDRO C[C@H](Oc1ccccc1C#N)C(=O)N(C)C1CC[NH+](C2CCOCC2)CC1 ZINC000065038213 541224109 /nfs/dbraw/zinc/22/41/09/541224109.db2.gz XBEPAELDBYFLTB-INIZCTEOSA-N 1 0 371.481 2.427 20 30 FEEDRO CC[N@H+](CCNC(=O)CCC(=O)N(CCC#N)c1ccccc1)C1CC1 ZINC000066622921 541349043 /nfs/dbraw/zinc/34/90/43/541349043.db2.gz SICZZNBAKRASCY-UHFFFAOYSA-N 1 0 356.470 2.314 20 30 FEEDRO C=C(C)COc1cccc(NC(=O)C(=O)NC2CC[NH+](C3CC3)CC2)c1 ZINC000067494692 541471537 /nfs/dbraw/zinc/47/15/37/541471537.db2.gz MCHRXDTWYJNELC-UHFFFAOYSA-N 1 0 357.454 2.323 20 30 FEEDRO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@@H]1C(=O)N(CC)CC ZINC000067653562 541496179 /nfs/dbraw/zinc/49/61/79/541496179.db2.gz AKRQNCZNIRMPEI-RBUKOAKNSA-N 1 0 360.498 2.488 20 30 FEEDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)C1 ZINC000067684073 541498800 /nfs/dbraw/zinc/49/88/00/541498800.db2.gz ARJTTZBBZYVWPD-FQEVSTJZSA-N 1 0 369.513 2.116 20 30 FEEDRO C[C@@H]1CN(C[C@@H]2CCC[N@@H+]2CCC(=O)Nc2ccc(C#N)cc2)C[C@H](C)O1 ZINC000067715185 541504206 /nfs/dbraw/zinc/50/42/06/541504206.db2.gz HRFDNFQYJRGVGY-QKLQHJQFSA-N 1 0 370.497 2.460 20 30 FEEDRO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)CNc2ccc(C#N)cc2)cc1 ZINC000068441997 541592875 /nfs/dbraw/zinc/59/28/75/541592875.db2.gz SRSWIPDEIJPEEN-UHFFFAOYSA-N 1 0 365.437 2.499 20 30 FEEDRO C[NH+]1CCC(C#N)(NC(=O)COc2ccccc2OCC(F)(F)F)CC1 ZINC000069382382 541681801 /nfs/dbraw/zinc/68/18/01/541681801.db2.gz KRFFXBVWIPIQCZ-UHFFFAOYSA-N 1 0 371.359 2.111 20 30 FEEDRO C[C@H](CC[NH+](C)C)NC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000069425920 541685611 /nfs/dbraw/zinc/68/56/11/541685611.db2.gz SPEQQHNTJPBHLP-GDBMZVCRSA-N 1 0 361.465 2.306 20 30 FEEDRO CCC[N@@H+]1CC[C@@H](CNC(=O)N(CCOC)Cc2ccc(C#N)cc2)C1 ZINC000069591914 541698972 /nfs/dbraw/zinc/69/89/72/541698972.db2.gz IIUFKWRQSYQIDQ-IBGZPJMESA-N 1 0 358.486 2.448 20 30 FEEDRO N#CCc1ccc(OC[C@H](O)CN2CCC[C@@H]2C[NH+]2CCCCC2)cc1 ZINC000069607946 541699487 /nfs/dbraw/zinc/69/94/87/541699487.db2.gz ILZRPEGMRDAYCE-WOJBJXKFSA-N 1 0 357.498 2.443 20 30 FEEDRO C[C@@H]1CN(C[C@@H]2CCC[N@@H+]2CCC(=O)Nc2cccc(C#N)c2)C[C@@H](C)O1 ZINC000072581573 541835110 /nfs/dbraw/zinc/83/51/10/541835110.db2.gz RRMZZHWBHYSIHV-HLIPFELVSA-N 1 0 370.497 2.460 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CC[NH+]([C@H](CC)CO)CC1 ZINC000072798027 541867306 /nfs/dbraw/zinc/86/73/06/541867306.db2.gz IQYPQLWPLRSVBH-IAGOWNOFSA-N 1 0 365.543 2.040 20 30 FEEDRO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCCC[C@@H]1CN1CCOCC1 ZINC000075969175 542221815 /nfs/dbraw/zinc/22/18/15/542221815.db2.gz NPQCOVYGDQVUSR-NHCUHLMSSA-N 1 0 374.525 2.342 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc3oc(CC)nc3c2)CC1 ZINC000076526139 542289225 /nfs/dbraw/zinc/28/92/25/542289225.db2.gz QSDWOMOZPKSDPI-UHFFFAOYSA-N 1 0 356.426 2.095 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)c2cn(C)nc2-c2ccccc2OC)CC1 ZINC000076994571 542340474 /nfs/dbraw/zinc/34/04/74/542340474.db2.gz WXPADKPPUADLPT-UHFFFAOYSA-N 1 0 354.454 2.476 20 30 FEEDRO N#CCOc1cccc(NC(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)c1 ZINC000077273073 542360815 /nfs/dbraw/zinc/36/08/15/542360815.db2.gz PIFLEALOAWFGEE-HNNXBMFYSA-N 1 0 358.442 2.211 20 30 FEEDRO COc1cc(C#N)ccc1OCC[NH+]1CCC(N2CCO[C@H](C)C2)CC1 ZINC000077284385 542361961 /nfs/dbraw/zinc/36/19/61/542361961.db2.gz VEZLPMRVRBZMCF-MRXNPFEDSA-N 1 0 359.470 2.131 20 30 FEEDRO COCC[N@H+](C)CC[C@@H](NC(=O)c1cc(C#N)cn1C)c1ccccc1 ZINC000081155234 542636813 /nfs/dbraw/zinc/63/68/13/542636813.db2.gz BJZCMZSQRLGSBP-GOSISDBHSA-N 1 0 354.454 2.336 20 30 FEEDRO C=CCN1C(=O)c2ccc(C(=O)N3CC[C@@H](C[N@@H+](C)CCC)C3)cc2C1=O ZINC000081360977 542650569 /nfs/dbraw/zinc/65/05/69/542650569.db2.gz RYPBQPIXVWKGKR-HNNXBMFYSA-N 1 0 369.465 2.273 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)CCN2CCC[C@H]([NH+]3CCCCC3)C2)cc1 ZINC000081513301 542661890 /nfs/dbraw/zinc/66/18/90/542661890.db2.gz XRCKHFHRLAWPGZ-SFHVURJKSA-N 1 0 361.511 2.282 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N2CCC(OC[C@@H]3CCCO3)CC2)CC1 ZINC000083655152 542699477 /nfs/dbraw/zinc/69/94/77/542699477.db2.gz OZLQGTRCFGQBFF-SFHVURJKSA-N 1 0 351.491 2.006 20 30 FEEDRO CC(C)NC(=O)Cc1ccc(NC(=O)N(CCC#N)CCC[NH+](C)C)cc1 ZINC000086282080 542734414 /nfs/dbraw/zinc/73/44/14/542734414.db2.gz WSUPSRVXOTUGLA-UHFFFAOYSA-N 1 0 373.501 2.453 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1cccc(N2CCCNC2=O)c1 ZINC000086301147 542735659 /nfs/dbraw/zinc/73/56/59/542735659.db2.gz JHLMFPXHWNBMJE-UHFFFAOYSA-N 1 0 372.473 2.306 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)Cc2cccc(OC(C)C)c2)c1C#N ZINC000089677645 542768047 /nfs/dbraw/zinc/76/80/47/542768047.db2.gz WBZGOZNWXJHBFQ-UHFFFAOYSA-N 1 0 355.442 2.402 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc3nc(C)c(C)nc3c2)c1C#N ZINC000089662954 542768360 /nfs/dbraw/zinc/76/83/60/542768360.db2.gz FVECBEFQQCDNMY-UHFFFAOYSA-N 1 0 363.425 2.246 20 30 FEEDRO C[C@@H](NC(=O)Cc1cccc(OCC#N)c1)C1([NH+]2CCOCC2)CCCC1 ZINC000089834349 542771864 /nfs/dbraw/zinc/77/18/64/542771864.db2.gz HBPMYCMZMACKII-QGZVFWFLSA-N 1 0 371.481 2.281 20 30 FEEDRO C#CCOc1ccc([C@@H](C)[NH2+][C@H]2CCN(c3cc(C)nn3C)C2=O)cc1 ZINC000090171896 542783898 /nfs/dbraw/zinc/78/38/98/542783898.db2.gz JWPAVFHRJPZSAF-QAPCUYQASA-N 1 0 352.438 2.197 20 30 FEEDRO Cn1ncnc1NC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000091186113 542797081 /nfs/dbraw/zinc/79/70/81/542797081.db2.gz VYPRTJAIPBQYKB-IAGOWNOFSA-N 1 0 354.458 2.347 20 30 FEEDRO CCS[C@@H]1CC[C@@H]([N@H+](C)CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)C1 ZINC000092618918 542875632 /nfs/dbraw/zinc/87/56/32/542875632.db2.gz JCNMLZZZNZRZQG-KURKYZTESA-N 1 0 366.575 2.285 20 30 FEEDRO COc1cccc([C@H](C)N2CC[NH+](CCC(=O)N(C)CCC#N)CC2)c1 ZINC000092796131 542886999 /nfs/dbraw/zinc/88/69/99/542886999.db2.gz RISGTPPQNHRDCK-KRWDZBQOSA-N 1 0 358.486 2.136 20 30 FEEDRO COc1cc(NC2CC[NH+](CCC(=O)N(C)CCC#N)CC2)cc(OC)c1 ZINC000092805457 542888324 /nfs/dbraw/zinc/88/83/24/542888324.db2.gz GBWHNEVXSPMGLL-UHFFFAOYSA-N 1 0 374.485 2.342 20 30 FEEDRO N#CCOc1ccc(CC(=O)Nc2cnn(CC[NH+]3CCCCC3)c2)cc1 ZINC000093077544 542907138 /nfs/dbraw/zinc/90/71/38/542907138.db2.gz VDPXWQJZIIQTHV-UHFFFAOYSA-N 1 0 367.453 2.453 20 30 FEEDRO COCc1ccccc1NC(=[NH2+])NC[C@@H]1CCCN(c2ncccn2)C1 ZINC000093887679 542944285 /nfs/dbraw/zinc/94/42/85/542944285.db2.gz DGEQIWNFHCFHDG-HNNXBMFYSA-N 1 0 354.458 2.266 20 30 FEEDRO N#Cc1ccc(N2CCN(C(=O)NC3CC[NH+](C4CC4)CC3)CC2)c(F)c1 ZINC000101606019 543036406 /nfs/dbraw/zinc/03/64/06/543036406.db2.gz RQNVTRUXANUOAY-UHFFFAOYSA-N 1 0 371.460 2.156 20 30 FEEDRO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000104074970 543122210 /nfs/dbraw/zinc/12/22/10/543122210.db2.gz UPLRABOLOGAYLU-NEPJUHHUSA-N 1 0 360.483 2.023 20 30 FEEDRO COCC[N@H+](C)CCCNC(=O)N1CCC(Oc2cccc(C#N)c2)CC1 ZINC000105147089 543161471 /nfs/dbraw/zinc/16/14/71/543161471.db2.gz GNZNJPFJUYRAED-UHFFFAOYSA-N 1 0 374.485 2.079 20 30 FEEDRO C[C@H](CNC(=O)N1CCN(c2cccc(F)c2C#N)CC1)[N@H+](C)C1CC1 ZINC000105264891 543167628 /nfs/dbraw/zinc/16/76/28/543167628.db2.gz WEJDWVUDUOVMHF-CQSZACIVSA-N 1 0 359.449 2.012 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C[C@@H](NC(N)=O)c2cccc(C)c2)CC1 ZINC000106036815 543186104 /nfs/dbraw/zinc/18/61/04/543186104.db2.gz IUVGIXXHCLAMJF-GOSISDBHSA-N 1 0 358.486 2.251 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cc(Cl)ccc2OC)CC1 ZINC000106349487 543224794 /nfs/dbraw/zinc/22/47/94/543224794.db2.gz FBTFGPNPSOAJNV-UHFFFAOYSA-N 1 0 365.861 2.444 20 30 FEEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000106580567 543239862 /nfs/dbraw/zinc/23/98/62/543239862.db2.gz HJVJBIQLOMMLDR-KRWDZBQOSA-N 1 0 360.502 2.029 20 30 FEEDRO C[C@@H](CNC(=O)C(=O)Nc1ccccc1SCCC#N)C[NH+]1CCCC1 ZINC000108610546 543297231 /nfs/dbraw/zinc/29/72/31/543297231.db2.gz JWLPGBABOBPKGO-HNNXBMFYSA-N 1 0 374.510 2.479 20 30 FEEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)NCC[NH+]1CCCCC1 ZINC000108605500 543297483 /nfs/dbraw/zinc/29/74/83/543297483.db2.gz YUDSPZWZRYMJKI-HNNXBMFYSA-N 1 0 374.510 2.479 20 30 FEEDRO C=CCN(C[C@@H](O)COc1c(C)ccc(C)c1C)[C@@H]1CCS(=O)(=O)C1 ZINC000108870932 543306792 /nfs/dbraw/zinc/30/67/92/543306792.db2.gz FVKKUSNHWZCALC-QZTJIDSGSA-N 1 0 367.511 2.027 20 30 FEEDRO N#Cc1ccccc1N1CCC[C@H](NC(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000109168140 543316955 /nfs/dbraw/zinc/31/69/55/543316955.db2.gz IRQJLAPVQBCLAK-WMZOPIPTSA-N 1 0 367.497 2.311 20 30 FEEDRO N#Cc1ccc(C(=O)NCC(=O)N[C@H]2CCC[N@@H+](C3CCCCC3)C2)cc1 ZINC000109701027 543335158 /nfs/dbraw/zinc/33/51/58/543335158.db2.gz ZAFBWRZNKVJBDV-SFHVURJKSA-N 1 0 368.481 2.201 20 30 FEEDRO C[NH+](C)[C@@H]1CCCN(CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC000111248573 543389035 /nfs/dbraw/zinc/38/90/35/543389035.db2.gz QAHJTSAITFGOAQ-QGZVFWFLSA-N 1 0 367.415 2.199 20 30 FEEDRO C=CC1CC[NH+](CC(=O)N2CCN(c3cc(C)nc(C(C)C)n3)CC2)CC1 ZINC000111258966 543389732 /nfs/dbraw/zinc/38/97/32/543389732.db2.gz NMWRWBPOPNYHNC-UHFFFAOYSA-N 1 0 371.529 2.455 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@@H]1CCc2nc(C)nn2C1 ZINC000112549181 543451190 /nfs/dbraw/zinc/45/11/90/543451190.db2.gz QHZLXOHMVGCEMQ-DZGCQCFKSA-N 1 0 359.499 2.156 20 30 FEEDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(S(=O)(=O)c2ccc(C#N)nc2)C1 ZINC000113945180 543498970 /nfs/dbraw/zinc/49/89/70/543498970.db2.gz JSUIYQZVRPECIZ-CVEARBPZSA-N 1 0 362.499 2.228 20 30 FEEDRO C=CCN1C(=O)c2ccc(C(=O)NC[C@H](CC(C)C)[NH+](C)C)cc2C1=O ZINC000114378180 543512073 /nfs/dbraw/zinc/51/20/73/543512073.db2.gz TWULNFFKTKWWMN-HNNXBMFYSA-N 1 0 357.454 2.175 20 30 FEEDRO CN(CC(=O)N[C@@](C)(C#N)C1CC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000114480998 543519932 /nfs/dbraw/zinc/51/99/32/543519932.db2.gz OZTCNQOBYNUHNM-NRFANRHFSA-N 1 0 354.498 2.391 20 30 FEEDRO Cc1ccc(C=NNC(=S)NCCC[NH+](C)C)c(-c2ccnn2C)c1 ZINC000802711536 674192351 /nfs/dbraw/zinc/19/23/51/674192351.db2.gz RUALGEZNUUZYBV-UHFFFAOYSA-N 1 0 358.515 2.145 20 30 FEEDRO C#Cc1cccc(NC(=O)C(=O)NC2CC[NH+](Cc3ccsc3)CC2)c1 ZINC000115881048 543592692 /nfs/dbraw/zinc/59/26/92/543592692.db2.gz OCSXHDOCLFXOPK-UHFFFAOYSA-N 1 0 367.474 2.449 20 30 FEEDRO CC[C@@H]1CN(C(=O)/C=C/c2ccc(OCC#N)cc2)CC[N@@H+]1CCOC ZINC000117304181 543628991 /nfs/dbraw/zinc/62/89/91/543628991.db2.gz CPYASPZASRGWMM-AHKGRUIUSA-N 1 0 357.454 2.171 20 30 FEEDRO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccccc1SCCC#N)C1CC1 ZINC000118101589 543645690 /nfs/dbraw/zinc/64/56/90/543645690.db2.gz YWCRZSBWPHSSFF-OAHLLOKOSA-N 1 0 360.483 2.087 20 30 FEEDRO CCN(CCC#N)C(=O)CNc1ccccc1C[NH+]1CCC(CO)CC1 ZINC000121735137 543698551 /nfs/dbraw/zinc/69/85/51/543698551.db2.gz QRVNGPVLYAKIKR-UHFFFAOYSA-N 1 0 358.486 2.065 20 30 FEEDRO Cc1cc(N(C)C)cc(C)c1NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C ZINC000122101213 543703023 /nfs/dbraw/zinc/70/30/23/543703023.db2.gz WIEYMVNXKHVUGK-UHFFFAOYSA-N 1 0 373.501 2.002 20 30 FEEDRO CCc1cccc(CC)c1NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C ZINC000122158793 543704621 /nfs/dbraw/zinc/70/46/21/543704621.db2.gz RRLUTMITNUSQKA-UHFFFAOYSA-N 1 0 358.486 2.444 20 30 FEEDRO CN(C(=O)C[N@@H+]1CCC[C@@H](Cc2nccn2C)C1)C1(C#N)CCCCC1 ZINC000123577993 543770477 /nfs/dbraw/zinc/77/04/77/543770477.db2.gz UQWZAAIWCFBINM-KRWDZBQOSA-N 1 0 357.502 2.359 20 30 FEEDRO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+](C)CC(C)(C)CN1CCOCC1 ZINC000124347033 543815851 /nfs/dbraw/zinc/81/58/51/543815851.db2.gz XNAYAMWZIXNJQG-INIZCTEOSA-N 1 0 358.486 2.175 20 30 FEEDRO CCC([NH3+])(CC)CNS(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000124759521 543841045 /nfs/dbraw/zinc/84/10/45/543841045.db2.gz WOSPNHTZYITAOZ-UHFFFAOYSA-N 1 0 360.277 2.117 20 30 FEEDRO C[NH+]=C(NCCc1c[nH]c2ccc(Cl)cc12)N[C@H]1CCc2ncnn2C1 ZINC000124954703 543853149 /nfs/dbraw/zinc/85/31/49/543853149.db2.gz WKZVJTCCBQMBJY-AWEZNQCLSA-N 1 0 371.876 2.135 20 30 FEEDRO Cc1cc(NC(=O)N(CCC#N)CCC[NH+](C)C)ccc1S(C)(=O)=O ZINC000125181145 543865619 /nfs/dbraw/zinc/86/56/19/543865619.db2.gz DBIAJPZEZFSQNH-UHFFFAOYSA-N 1 0 366.487 2.098 20 30 FEEDRO C[C@@H](C(=O)Nc1cccc(Cl)c1)[N@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000125475920 543883585 /nfs/dbraw/zinc/88/35/85/543883585.db2.gz YKYGFMJOGXEOAY-NSHDSACASA-N 1 0 360.849 2.409 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)NCCCc2ccc(OC)c(OCC)c2)CC1 ZINC000127627708 544004389 /nfs/dbraw/zinc/00/43/89/544004389.db2.gz LTNWHIDOIPTAHH-UHFFFAOYSA-N 1 0 358.482 2.488 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H](C)Oc2ccccc2Cl)c1C#N ZINC000128127212 544034137 /nfs/dbraw/zinc/03/41/37/544034137.db2.gz VHXWNOBFPSDYFG-LLVKDONJSA-N 1 0 361.833 2.493 20 30 FEEDRO CC[C@H](CC#N)NC(=O)C(=O)Nc1ccc(OCC[NH+](CC)CC)cc1 ZINC000128415723 544051822 /nfs/dbraw/zinc/05/18/22/544051822.db2.gz DHZDYTRFSDTTCK-OAHLLOKOSA-N 1 0 360.458 2.154 20 30 FEEDRO C=CCNC(=O)c1ccc(NC(=O)NC[C@@H](CC[NH+](C)C)OCC)cc1 ZINC000129490302 544115233 /nfs/dbraw/zinc/11/52/33/544115233.db2.gz HRGACABIDPNXBD-QGZVFWFLSA-N 1 0 362.474 2.081 20 30 FEEDRO C[C@H]1C[C@@H](NC(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)C[N@@H+]1C1CC1 ZINC000130509480 544154016 /nfs/dbraw/zinc/15/40/16/544154016.db2.gz DFBIPXYTBVWTFG-ILZDJORESA-N 1 0 367.497 2.031 20 30 FEEDRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)CN(CCC#N)CCC#N)CC1 ZINC000132835825 544245536 /nfs/dbraw/zinc/24/55/36/544245536.db2.gz LJKHYWMDCPFVFM-UHFFFAOYSA-N 1 0 367.497 2.159 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C)[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000133154478 544258007 /nfs/dbraw/zinc/25/80/07/544258007.db2.gz VQTZYKUKMUBYEY-OALUTQOASA-N 1 0 361.436 2.171 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2cn(C)nc2-c2cccs2)c1C#N ZINC000133360677 544266524 /nfs/dbraw/zinc/26/65/24/544266524.db2.gz LMRRIKUJZVCNFV-UHFFFAOYSA-N 1 0 369.454 2.148 20 30 FEEDRO CC[C@](C)([NH2+]CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1)C(N)=O ZINC000133629829 544277611 /nfs/dbraw/zinc/27/76/11/544277611.db2.gz MYKBSWXDXLZXFB-KRWDZBQOSA-N 1 0 350.850 2.139 20 30 FEEDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)Nc1ccccc1SCCC#N ZINC000133916662 544287774 /nfs/dbraw/zinc/28/77/74/544287774.db2.gz PGWBGJIPXVSUFI-HNNXBMFYSA-N 1 0 374.510 2.431 20 30 FEEDRO COc1ccc(CNC(=[NH2+])NC[C@](C)(O)c2ccc(F)cc2)cc1OC ZINC000134235563 544299597 /nfs/dbraw/zinc/29/95/97/544299597.db2.gz TYZJVEOMEWVHIZ-IBGZPJMESA-N 1 0 361.417 2.155 20 30 FEEDRO CN1CCc2ccc(NC(=O)N(CCC#N)CCC[NH+](C)C)cc2C1=O ZINC000136430324 544373159 /nfs/dbraw/zinc/37/31/59/544373159.db2.gz YGCQQHUAFCZRPY-UHFFFAOYSA-N 1 0 357.458 2.014 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@H](Cc3nccn3C)C2)CC1 ZINC000139058382 544399373 /nfs/dbraw/zinc/39/93/73/544399373.db2.gz JFOLMXKSHWQRCL-QGZVFWFLSA-N 1 0 359.518 2.425 20 30 FEEDRO C=CCOc1cccc(C[NH2+]C2CCN(S(=O)(=O)C3CC3)CC2)c1 ZINC000151277577 544523574 /nfs/dbraw/zinc/52/35/74/544523574.db2.gz OPKYTVLRQDZTES-UHFFFAOYSA-N 1 0 350.484 2.298 20 30 FEEDRO Cc1oc(NC(=O)[C@@H](C)N2CCN(c3cc[nH+]cc3)CC2)c(C#N)c1C ZINC000151291785 544525589 /nfs/dbraw/zinc/52/55/89/544525589.db2.gz QUGPRCYNFWUCFW-CQSZACIVSA-N 1 0 353.426 2.312 20 30 FEEDRO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)CCCC(=O)Nc1ccccc1C#N ZINC000151933711 544597868 /nfs/dbraw/zinc/59/78/68/544597868.db2.gz RTDOWNVWJGUPAD-GOSISDBHSA-N 1 0 356.470 2.466 20 30 FEEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000152141550 544617761 /nfs/dbraw/zinc/61/77/61/544617761.db2.gz LANTURYNWFUUKQ-ZIAGYGMSSA-N 1 0 358.529 2.459 20 30 FEEDRO COCCC[N@H+](C)CCNC(=O)CSc1nc(C)c(C)c(C)c1C#N ZINC000152485032 544659658 /nfs/dbraw/zinc/65/96/58/544659658.db2.gz YKCSAGOXUJKKBP-UHFFFAOYSA-N 1 0 364.515 2.055 20 30 FEEDRO CCNC(=O)N1CC[C@@H]([NH2+]Cc2ccc(OC)c(OCCCC#N)c2)C1 ZINC000152686739 544683679 /nfs/dbraw/zinc/68/36/79/544683679.db2.gz UWWJCEJPKGHIRO-MRXNPFEDSA-N 1 0 360.458 2.271 20 30 FEEDRO C[NH+](C)C[C@@](C)(O)CNC(=O)c1cccc(COc2cccc(C#N)c2)c1 ZINC000153081585 544730454 /nfs/dbraw/zinc/73/04/54/544730454.db2.gz OXDQFJXMCWLIED-NRFANRHFSA-N 1 0 367.449 2.180 20 30 FEEDRO CCO[C@@H]1C[C@H](O)C12CC[NH+](CCC(=O)Nc1sccc1C#N)CC2 ZINC000152761620 544692709 /nfs/dbraw/zinc/69/27/09/544692709.db2.gz ZGMWJYFADQULJD-LSDHHAIUSA-N 1 0 363.483 2.200 20 30 FEEDRO C[C@H](C(=O)Nc1ccc(F)cc1F)[N@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000153325019 544761671 /nfs/dbraw/zinc/76/16/71/544761671.db2.gz JIISHABZCXQJSJ-SNVBAGLBSA-N 1 0 362.384 2.033 20 30 FEEDRO COc1cc(C#N)ccc1OCC(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000154415030 544903446 /nfs/dbraw/zinc/90/34/46/544903446.db2.gz ONXJUIZDXXKRBW-UHFFFAOYSA-N 1 0 357.454 2.423 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(C)[C@@H](C)CCSCC)CC1 ZINC000553670832 674278377 /nfs/dbraw/zinc/27/83/77/674278377.db2.gz KQZQOAHQPQEDLY-HNNXBMFYSA-N 1 0 355.548 2.133 20 30 FEEDRO Cc1nc(C(=O)Nc2ccccc2C[NH+]2CCC(O)CC2)ccc1C#N ZINC000182057325 327758815 /nfs/dbraw/zinc/75/88/15/327758815.db2.gz VJESVYPHPWMSNQ-UHFFFAOYSA-N 1 0 350.422 2.471 20 30 FEEDRO COc1ccc([C@H](CCO)[NH2+]CC(=O)Nc2oc(C)c(C)c2C#N)cc1 ZINC000182393446 327773464 /nfs/dbraw/zinc/77/34/64/327773464.db2.gz UFTFTNBBWQWNHA-KRWDZBQOSA-N 1 0 357.410 2.429 20 30 FEEDRO N#Cc1ccc(Cl)c(S(=O)(=O)N2CCC[C@@H]2C[NH+]2CCCC2)c1 ZINC000184205883 327855943 /nfs/dbraw/zinc/85/59/43/327855943.db2.gz LGYWYEBQGQKFQP-CQSZACIVSA-N 1 0 353.875 2.461 20 30 FEEDRO N#Cc1c(F)cccc1C(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000187584816 328034570 /nfs/dbraw/zinc/03/45/70/328034570.db2.gz AINRDODDPXVMPX-MRXNPFEDSA-N 1 0 353.397 2.194 20 30 FEEDRO CCC(CC)[C@@H](CNS(=O)(=O)c1ccc(C#N)cc1OC)[NH+](C)C ZINC000188209229 328073398 /nfs/dbraw/zinc/07/33/98/328073398.db2.gz HXKFYPFGSZTIQS-OAHLLOKOSA-N 1 0 353.488 2.212 20 30 FEEDRO C[C@H](NC(=O)CC(C)(C)C)C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000188730991 328107285 /nfs/dbraw/zinc/10/72/85/328107285.db2.gz NZWWQDOONVQHPW-INIZCTEOSA-N 1 0 372.513 2.389 20 30 FEEDRO COc1cccc(CN(CC[NH+](C)C)S(=O)(=O)c2cccc(C#N)c2)c1 ZINC000190497476 328211777 /nfs/dbraw/zinc/21/17/77/328211777.db2.gz KZWCFURSYOULCP-UHFFFAOYSA-N 1 0 373.478 2.319 20 30 FEEDRO CC1CC[NH+](CCCNC(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)CC1 ZINC000192528839 328323787 /nfs/dbraw/zinc/32/37/87/328323787.db2.gz WKBRQUXRVREZBO-UHFFFAOYSA-N 1 0 373.501 2.291 20 30 FEEDRO N#Cc1cc(C(=O)NCCCC[NH+]2CCN(c3ccccc3)CC2)ccn1 ZINC000192778286 328339095 /nfs/dbraw/zinc/33/90/95/328339095.db2.gz KEKKUDDMYWOYFX-UHFFFAOYSA-N 1 0 363.465 2.285 20 30 FEEDRO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C1CCN(c2oc(C)nc2C#N)CC1 ZINC000193423629 328374612 /nfs/dbraw/zinc/37/46/12/328374612.db2.gz TXMUTBDQQIJGHO-MRXNPFEDSA-N 1 0 359.474 2.014 20 30 FEEDRO CCCC[C@@H](C[NH3+])NS(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000236899236 328497422 /nfs/dbraw/zinc/49/74/22/328497422.db2.gz VPLYBUFOVDJZFX-LBPRGKRZSA-N 1 0 360.277 2.117 20 30 FEEDRO CN(Cc1cccc(C#N)c1)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000077670598 325004115 /nfs/dbraw/zinc/00/41/15/325004115.db2.gz YNJQHAAVXWTMCK-SFHVURJKSA-N 1 0 356.470 2.201 20 30 FEEDRO N#Cc1ccc(NC(=O)C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000078728681 325060055 /nfs/dbraw/zinc/06/00/55/325060055.db2.gz UXNAKAWYJNKTIN-LJQANCHMSA-N 1 0 362.433 2.278 20 30 FEEDRO N#Cc1cccc(NC(=O)C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)c1 ZINC000080286642 325127430 /nfs/dbraw/zinc/12/74/30/325127430.db2.gz GSVLJBYDUAJHKR-UHFFFAOYSA-N 1 0 362.433 2.231 20 30 FEEDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000081335437 325170557 /nfs/dbraw/zinc/17/05/57/325170557.db2.gz MMSQTJVLBSNCDW-ZDUSSCGKSA-N 1 0 362.861 2.340 20 30 FEEDRO C[C@@H]1C[NH+](Cc2ccc(CNC(=O)c3cc(C#N)cn3C)cc2)C[C@@H](C)O1 ZINC000081664298 325191890 /nfs/dbraw/zinc/19/18/90/325191890.db2.gz XFCNIBGGBBZERT-HZPDHXFCSA-N 1 0 366.465 2.436 20 30 FEEDRO CC[NH+]1CCN(Cc2ccc(NC(=O)c3cc(C#N)cn3C)cc2)CC1 ZINC000081665257 325192226 /nfs/dbraw/zinc/19/22/26/325192226.db2.gz FIIRCXIVTPRTMA-UHFFFAOYSA-N 1 0 351.454 2.287 20 30 FEEDRO Cn1cc(C#N)cc1C(=O)NCCC[N@@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000081658998 325192409 /nfs/dbraw/zinc/19/24/09/325192409.db2.gz AYAYJYIZNKWJKX-HXUWFJFHSA-N 1 0 365.481 2.005 20 30 FEEDRO C[C@@H](NC(=O)NC1CCN(c2ccc(C#N)cn2)CC1)C(C)(C)C[NH+](C)C ZINC000085360411 325251421 /nfs/dbraw/zinc/25/14/21/325251421.db2.gz NAOZJGISSDNZSM-OAHLLOKOSA-N 1 0 372.517 2.198 20 30 FEEDRO C[C@@H](CNC(=O)C(=O)Nc1cc(C#N)ccc1Cl)[NH+]1CCC(C)CC1 ZINC000088771634 325300582 /nfs/dbraw/zinc/30/05/82/325300582.db2.gz PSMMDYGFHDZNAU-ZDUSSCGKSA-N 1 0 362.861 2.387 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)COc2ccc(F)c(Cl)c2)c1C#N ZINC000089673752 325326105 /nfs/dbraw/zinc/32/61/05/325326105.db2.gz QVIHGEHTBDDYEH-UHFFFAOYSA-N 1 0 365.796 2.243 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2cnn(CCC(C)C)c2C)c1C#N ZINC000089662844 325326334 /nfs/dbraw/zinc/32/63/34/325326334.db2.gz HULIIPRBHXARNL-UHFFFAOYSA-N 1 0 357.462 2.237 20 30 FEEDRO CC[C@H](C(=O)Nc1ccc(OC)cc1)[N@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000089943648 325343568 /nfs/dbraw/zinc/34/35/68/325343568.db2.gz IMVHFZRWODXVFE-QGZVFWFLSA-N 1 0 370.457 2.154 20 30 FEEDRO Cc1sc(NC(=O)C[N@H+](C)CCCc2[nH]nc(N)c2C#N)c(C)c1C ZINC000089942811 325343790 /nfs/dbraw/zinc/34/37/90/325343790.db2.gz QCCNFFPHEXHBPS-UHFFFAOYSA-N 1 0 360.487 2.353 20 30 FEEDRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+]CCOc2ccc(C#N)cc2)c1 ZINC000090107087 325354148 /nfs/dbraw/zinc/35/41/48/325354148.db2.gz HKXKCZDLTNWYIM-AWEZNQCLSA-N 1 0 359.451 2.196 20 30 FEEDRO N#Cc1ccccc1N1CCC[C@H](NC(=O)N2CC[C@H]([NH+]3CCCC3)C2)C1 ZINC000109179698 325661165 /nfs/dbraw/zinc/66/11/65/325661165.db2.gz CBKGSHGHZCAXTR-OALUTQOASA-N 1 0 367.497 2.407 20 30 FEEDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(OC(C)C)c(C#N)c2)C1 ZINC000119008697 326118112 /nfs/dbraw/zinc/11/81/12/326118112.db2.gz PFIDMOWRRDDTES-HNNXBMFYSA-N 1 0 372.469 2.084 20 30 FEEDRO CCCN(CC[NH+](CC)CC)S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000119399505 326157998 /nfs/dbraw/zinc/15/79/98/326157998.db2.gz XEBCNYZYQDTJDB-UHFFFAOYSA-N 1 0 368.459 2.209 20 30 FEEDRO CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)c2cccc(C#N)c2)CC1 ZINC000120720440 326281925 /nfs/dbraw/zinc/28/19/25/326281925.db2.gz BBLJSVJOJOURFM-UHFFFAOYSA-N 1 0 370.497 2.259 20 30 FEEDRO CCC[C@@H]1CN([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CC[N@@H+]1CCOC ZINC000121674527 326357296 /nfs/dbraw/zinc/35/72/96/326357296.db2.gz OSMQCPFGIVTSPN-WOJBJXKFSA-N 1 0 370.497 2.096 20 30 FEEDRO CC(C)(Oc1ccc(C#N)cc1)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000122422965 326396195 /nfs/dbraw/zinc/39/61/95/326396195.db2.gz LUUKQDGSZSHAAZ-UHFFFAOYSA-N 1 0 357.454 2.039 20 30 FEEDRO CN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000154763775 326768308 /nfs/dbraw/zinc/76/83/08/326768308.db2.gz DYFDNFWITSKJPC-UHFFFAOYSA-N 1 0 366.421 2.309 20 30 FEEDRO CCC[C@H]1CN(C(=O)NCCOc2ccc(C#N)cc2)CC[N@@H+]1CCOC ZINC000162723519 327032995 /nfs/dbraw/zinc/03/29/95/327032995.db2.gz LAWRPELDQAURPQ-SFHVURJKSA-N 1 0 374.485 2.079 20 30 FEEDRO N#Cc1ccc(NC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCC2)cc1Cl ZINC000170684473 327093805 /nfs/dbraw/zinc/09/38/05/327093805.db2.gz ONVMYXPEGLWWMM-HNNXBMFYSA-N 1 0 360.845 2.237 20 30 FEEDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000171027461 327113288 /nfs/dbraw/zinc/11/32/88/327113288.db2.gz ZFAGDXLLTRPMJK-UHFFFAOYSA-N 1 0 367.409 2.374 20 30 FEEDRO CN(CC[N@H+](C)C1CCCCC1)C(=O)CNC(=O)c1ccc(C#N)cc1 ZINC000171114006 327119017 /nfs/dbraw/zinc/11/90/17/327119017.db2.gz UESDPVBOYKAIQB-UHFFFAOYSA-N 1 0 356.470 2.011 20 30 FEEDRO C[C@@H]1C[N@@H+](CC2CCN(C(=O)Cc3ccc(C#N)cc3)CC2)C[C@H](C)O1 ZINC000171224974 327125845 /nfs/dbraw/zinc/12/58/45/327125845.db2.gz RKXFIAWYPWPJNX-CALCHBBNSA-N 1 0 355.482 2.449 20 30 FEEDRO N#Cc1ccc(C(=O)NCCCC[NH+]2CCN(c3ccccc3)CC2)nc1 ZINC000171595316 327147477 /nfs/dbraw/zinc/14/74/77/327147477.db2.gz NIKZBEUUQYJCJS-UHFFFAOYSA-N 1 0 363.465 2.285 20 30 FEEDRO Cc1cccc(NC(=O)C(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)c1C#N ZINC000173340517 327250621 /nfs/dbraw/zinc/25/06/21/327250621.db2.gz UYIIYNWXIABFDR-INIZCTEOSA-N 1 0 354.454 2.140 20 30 FEEDRO C[C@H]1C[NH+](Cc2ccc(CNC(=O)c3cc(C#N)c[nH]3)cc2)C[C@H](C)O1 ZINC000175269654 327383420 /nfs/dbraw/zinc/38/34/20/327383420.db2.gz KPMCOJKZQLZRMD-GJZGRUSLSA-N 1 0 352.438 2.426 20 30 FEEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000175265556 327383495 /nfs/dbraw/zinc/38/34/95/327383495.db2.gz LSDBADFSLBZYBR-UHFFFAOYSA-N 1 0 373.501 2.493 20 30 FEEDRO C[C@@H]1C[N@@H+](CC2CCN(c3ncc([N+](=O)[O-])cc3C#N)CC2)C[C@H](C)O1 ZINC000264435898 329022931 /nfs/dbraw/zinc/02/29/31/329022931.db2.gz DOECRNYRYGLWSM-OKILXGFUSA-N 1 0 359.430 2.187 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)cc1Cl ZINC000264654874 329045160 /nfs/dbraw/zinc/04/51/60/329045160.db2.gz XTAMUZUOIBMFGB-CQSZACIVSA-N 1 0 353.875 2.461 20 30 FEEDRO N#Cc1cc([N+](=O)[O-])cnc1NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000266215469 329201381 /nfs/dbraw/zinc/20/13/81/329201381.db2.gz GXLDOQWIGHLEET-UHFFFAOYSA-N 1 0 367.409 2.430 20 30 FEEDRO COCC[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C1 ZINC000266425215 329221622 /nfs/dbraw/zinc/22/16/22/329221622.db2.gz VZOCUERGTODKBL-CYBMUJFWSA-N 1 0 356.348 2.419 20 30 FEEDRO N#Cc1cc(F)ccc1NC(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000267553927 329338002 /nfs/dbraw/zinc/33/80/02/329338002.db2.gz KGWMCQNFOABFHN-KRWDZBQOSA-N 1 0 366.396 2.027 20 30 FEEDRO CCc1nnc(NCc2cccnc2N2CC[NH+](C)CC2)c(C#N)c1CC ZINC000268188586 329394888 /nfs/dbraw/zinc/39/48/88/329394888.db2.gz VKIPKCGZUARDKD-UHFFFAOYSA-N 1 0 365.485 2.232 20 30 FEEDRO N#Cc1cccc(C2([NH2+]C[C@H](O)COc3ccccc3[N+](=O)[O-])CC2)c1 ZINC000273182435 329843708 /nfs/dbraw/zinc/84/37/08/329843708.db2.gz QHUHPGVKWLVVOB-INIZCTEOSA-N 1 0 353.378 2.485 20 30 FEEDRO C[C@@H](CCNC(=O)N1CCN(c2cc(C#N)ccn2)CC1)[NH+]1CCCCC1 ZINC000273539359 329872722 /nfs/dbraw/zinc/87/27/22/329872722.db2.gz STODLPUEXODDAG-KRWDZBQOSA-N 1 0 370.501 2.049 20 30 FEEDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000367265175 330238171 /nfs/dbraw/zinc/23/81/71/330238171.db2.gz SYKRWFNQEGCZQN-DOMZBBRYSA-N 1 0 360.845 2.235 20 30 FEEDRO C=C(Cl)CNC(=O)N1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000805132996 674321626 /nfs/dbraw/zinc/32/16/26/674321626.db2.gz VTMKPOSJPSULHN-SFHVURJKSA-N 1 0 362.905 2.341 20 30 FEEDRO C#C[C@H](NC(=O)N[C@@H](C)CN1CC[NH+](C)CC1)c1ccc(Cl)cc1F ZINC000805186375 674324941 /nfs/dbraw/zinc/32/49/41/674324941.db2.gz GTQTVUNAUSIGHM-GUYCJALGSA-N 1 0 366.868 2.089 20 30 FEEDRO CS[C@H](C)CNC(=O)N(C)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC000328631669 525860246 /nfs/dbraw/zinc/86/02/46/525860246.db2.gz RGJIWZSLJUKOKX-IJEWVQPXSA-N 1 0 353.536 2.400 20 30 FEEDRO Cc1c(CN2CCN(c3nccnc3C#N)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000155683247 545558435 /nfs/dbraw/zinc/55/84/35/545558435.db2.gz MOXPGIGOYHBHIA-ZDUSSCGKSA-N 1 0 352.398 2.276 20 30 FEEDRO C[NH+](C)CCN1CCC(NC(=O)N[C@@H](CCC#N)c2ccccc2)CC1 ZINC000157447962 545742987 /nfs/dbraw/zinc/74/29/87/545742987.db2.gz IBMAYQQRLMKJGB-IBGZPJMESA-N 1 0 357.502 2.357 20 30 FEEDRO COC(=O)Cc1csc(NC(=O)C[NH2+][C@H](C)c2ccc(C#N)cc2)n1 ZINC000157647408 545764441 /nfs/dbraw/zinc/76/44/41/545764441.db2.gz YEYUKFPCTYWLTG-LLVKDONJSA-N 1 0 358.423 2.020 20 30 FEEDRO C[NH+](C)C1CCN(c2ccc(NC(=O)c3ccc(C#N)nc3)nc2)CC1 ZINC000478315088 561164139 /nfs/dbraw/zinc/16/41/39/561164139.db2.gz PTAKFKGXNPSFAH-UHFFFAOYSA-N 1 0 350.426 2.131 20 30 FEEDRO N#Cc1cccc(/C=C/C(=O)NC[C@H](O)C[N@@H+]2CCc3ccccc3C2)c1 ZINC000159275502 545938989 /nfs/dbraw/zinc/93/89/89/545938989.db2.gz BJGKSSVZTYCFEL-SHBDEGQCSA-N 1 0 361.445 2.107 20 30 FEEDRO CC[NH+]=C(NCc1ccnc(OC)c1)N1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000160103436 546008270 /nfs/dbraw/zinc/00/82/70/546008270.db2.gz IHEJCEIECQRMQY-WBVHZDCISA-N 1 0 356.474 2.335 20 30 FEEDRO CC(C)Oc1ccc(NC(=O)C(=O)NC[C@H](C)C[NH+]2CCCC2)cc1C#N ZINC000160623881 546057135 /nfs/dbraw/zinc/05/71/35/546057135.db2.gz BLWKDXIWCXBJBX-HNNXBMFYSA-N 1 0 372.469 2.132 20 30 FEEDRO CC[N@@H+]1CCCN(C(=O)C(=O)Nc2ccccc2SC[C@H](C)C#N)CC1 ZINC000163271202 546143953 /nfs/dbraw/zinc/14/39/53/546143953.db2.gz UBSUIZFQDISZCU-OAHLLOKOSA-N 1 0 374.510 2.431 20 30 FEEDRO C[C@@H]1CN(C(=O)c2ccc(CNC(=[NH2+])Nc3ccccn3)cc2)C[C@@H](C)O1 ZINC000170911041 546181314 /nfs/dbraw/zinc/18/13/14/546181314.db2.gz PQTCDEUEIHZPOQ-HUUCEWRRSA-N 1 0 367.453 2.258 20 30 FEEDRO COc1ccc(CCNC(=[NH2+])NCc2nc3ccccc3n2C)cc1OC ZINC000170908293 546181457 /nfs/dbraw/zinc/18/14/57/546181457.db2.gz BPQMRNPOJIFUSU-UHFFFAOYSA-N 1 0 367.453 2.238 20 30 FEEDRO CCOC(=O)N1CCC(NC(=[NH2+])NC[C@H]2CCN(C)c3ccccc32)CC1 ZINC000170907780 546181612 /nfs/dbraw/zinc/18/16/12/546181612.db2.gz ROHKLKTWIKIECQ-OAHLLOKOSA-N 1 0 373.501 2.135 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)NCc2cccc(CN3CCCC3=O)c2)CC1 ZINC000171710561 546219005 /nfs/dbraw/zinc/21/90/05/546219005.db2.gz LVWYHXYDVHWWMU-UHFFFAOYSA-N 1 0 370.497 2.259 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)c2cccc(NC(=O)[C@@H]3CCCO3)c2)CC1 ZINC000171719883 546220803 /nfs/dbraw/zinc/22/08/03/546220803.db2.gz NSVYUXKPTGOGKF-SFHVURJKSA-N 1 0 357.454 2.184 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)[C@@H](NC(=O)Cc2ccccc2)C(C)C)CC1 ZINC000171723443 546222012 /nfs/dbraw/zinc/22/20/12/546222012.db2.gz PKMWEEJUEIISGP-FQEVSTJZSA-N 1 0 357.498 2.137 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)/C=C/c2cc(OC)c(OC)cc2OC)CC1 ZINC000171726667 546222187 /nfs/dbraw/zinc/22/21/87/546222187.db2.gz ALMYXUCDUONDHL-VOTSOKGWSA-N 1 0 360.454 2.492 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)NC2CCN(c3cccc(C)n3)CC2)CC1 ZINC000172135002 546238360 /nfs/dbraw/zinc/23/83/60/546238360.db2.gz PFFDYIKMCOECJM-UHFFFAOYSA-N 1 0 357.502 2.308 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)NCc2cccc(NC(=O)N(C)C)c2)CC1 ZINC000173196204 546275847 /nfs/dbraw/zinc/27/58/47/546275847.db2.gz QPMJNCKOAHTIHZ-UHFFFAOYSA-N 1 0 359.474 2.230 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CCCCN2C(=O)c2cccnc2)CC1 ZINC000173579519 546283516 /nfs/dbraw/zinc/28/35/16/546283516.db2.gz ZBKIORYUVANFBS-IBGZPJMESA-N 1 0 370.497 2.233 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)c2ncoc2-c2ccc3c(c2)OCCO3)CC1 ZINC000173578939 546283607 /nfs/dbraw/zinc/28/36/07/546283607.db2.gz VEBSCCXYLXHKDL-UHFFFAOYSA-N 1 0 369.421 2.493 20 30 FEEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000174238180 546293987 /nfs/dbraw/zinc/29/39/87/546293987.db2.gz SYMJPQHLRCWKFF-AYHJJNSGSA-N 1 0 357.502 2.478 20 30 FEEDRO Cn1ccc(N2CCC[C@H]([NH2+]Cc3cccc(OCCCC#N)c3)C2=O)n1 ZINC000174588259 546300450 /nfs/dbraw/zinc/30/04/50/546300450.db2.gz IHYZVFGZJRDCMR-SFHVURJKSA-N 1 0 367.453 2.388 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000174927261 546305339 /nfs/dbraw/zinc/30/53/39/546305339.db2.gz AGIKSNAREPUWGJ-FQEVSTJZSA-N 1 0 353.510 2.312 20 30 FEEDRO C[NH+]=C(NCc1nnc2n1CCCC2)N1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000175569048 546313899 /nfs/dbraw/zinc/31/38/99/546313899.db2.gz XMJZLYQQRXUTGZ-MRXNPFEDSA-N 1 0 370.476 2.394 20 30 FEEDRO CN(C(=O)c1ccc(NC(=O)c2cc(C#N)c[nH]2)cc1)[C@@H]1CCC[N@H+](C)C1 ZINC000175834142 546358556 /nfs/dbraw/zinc/35/85/56/546358556.db2.gz PLXQXGAMOUEABA-QGZVFWFLSA-N 1 0 365.437 2.305 20 30 FEEDRO C[C@@H]1C[C@H](NS(=O)(=O)c2ccc(C#N)nc2)CC[N@@H+]1Cc1ccccc1 ZINC000175846891 546362025 /nfs/dbraw/zinc/36/20/25/546362025.db2.gz DYBAYYPEAXGCIB-NVXWUHKLSA-N 1 0 370.478 2.285 20 30 FEEDRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)c1cccc(SCC#N)c1 ZINC000176026657 546391886 /nfs/dbraw/zinc/39/18/86/546391886.db2.gz SRVCQIRCJFVMGM-UHFFFAOYSA-N 1 0 360.527 2.400 20 30 FEEDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)C1 ZINC000176568508 546462594 /nfs/dbraw/zinc/46/25/94/546462594.db2.gz BXQLPBJRUFVFON-IAGOWNOFSA-N 1 0 373.476 2.402 20 30 FEEDRO COc1cc(C#N)ccc1OCCCC(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000177064446 546536690 /nfs/dbraw/zinc/53/66/90/546536690.db2.gz BBIYEVSACCACPG-GDBMZVCRSA-N 1 0 357.454 2.467 20 30 FEEDRO C[C@H]1C[C@H](NC(=O)CCC(=O)N(CCC#N)c2ccccc2)C[N@@H+]1C1CC1 ZINC000177146113 546554217 /nfs/dbraw/zinc/55/42/17/546554217.db2.gz UAXZLZKGOCONPB-IRXDYDNUSA-N 1 0 368.481 2.455 20 30 FEEDRO C[C@@H]1C[C@H](NC(=O)CCC(=O)N(CCC#N)c2ccccc2)C[N@@H+]1C1CC1 ZINC000177146099 546554697 /nfs/dbraw/zinc/55/46/97/546554697.db2.gz UAXZLZKGOCONPB-SJORKVTESA-N 1 0 368.481 2.455 20 30 FEEDRO COc1ccc(CN(C)C(=O)CO[NH+]=C(N)c2ccc(N(C)C)cc2)cc1 ZINC000177562366 546645181 /nfs/dbraw/zinc/64/51/81/546645181.db2.gz CXULLMJZBQRTKE-UHFFFAOYSA-N 1 0 370.453 2.057 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2CC[C@H]([NH+]3CCCC3)C2)cc1C(F)(F)F ZINC000177655890 546660272 /nfs/dbraw/zinc/66/02/72/546660272.db2.gz TVUUCHMPRGFEJR-ZDUSSCGKSA-N 1 0 373.400 2.436 20 30 FEEDRO CC1CC[NH+](CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)CC1 ZINC000177755835 546680947 /nfs/dbraw/zinc/68/09/47/546680947.db2.gz ZGRCFZKJIIUKJL-LJQANCHMSA-N 1 0 358.461 2.266 20 30 FEEDRO CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000178103881 546739681 /nfs/dbraw/zinc/73/96/81/546739681.db2.gz KIQGFOBQWLPKEX-XLIONFOSSA-N 1 0 371.481 2.142 20 30 FEEDRO CC(C)(C)C(=O)N1CCC(C[NH+]2CCN(c3cccc(C#N)n3)CC2)CC1 ZINC000481173814 561227272 /nfs/dbraw/zinc/22/72/72/561227272.db2.gz IISNVIAVXGXNSU-UHFFFAOYSA-N 1 0 369.513 2.360 20 30 FEEDRO C[C@@H]1C[N@@H+](CCC2CCN(C(=O)c3ccc(C#N)cn3)CC2)C[C@H](C)O1 ZINC000178251711 546765012 /nfs/dbraw/zinc/76/50/12/546765012.db2.gz WETUOEVKPSTCBB-IYBDPMFKSA-N 1 0 356.470 2.305 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N2CCOC[C@@H]2C[C@@H](O)c2ccccc2)CC1 ZINC000178919190 546873427 /nfs/dbraw/zinc/87/34/27/546873427.db2.gz AHMXIKBTYASJLV-VQTJNVASSA-N 1 0 373.497 2.171 20 30 FEEDRO C=C[C@H](CC(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)c1ccccc1 ZINC000179302503 546927549 /nfs/dbraw/zinc/92/75/49/546927549.db2.gz ACFKMIJDHZVMLA-MJGOQNOKSA-N 1 0 355.482 2.111 20 30 FEEDRO CCC[C@H]1CN(CCC(=O)Nc2cccc(C#N)c2)CC[N@@H+]1CCOC ZINC000179668838 546994792 /nfs/dbraw/zinc/99/47/92/546994792.db2.gz NIQJDGJGOLCDGM-IBGZPJMESA-N 1 0 358.486 2.320 20 30 FEEDRO COc1ccc(C[N@H+](CC(=O)N[C@](C)(C#N)C2CC2)[C@H](CO)C(C)C)cc1 ZINC000179926756 547030382 /nfs/dbraw/zinc/03/03/82/547030382.db2.gz AZWBHYKGOFQMNK-TZIWHRDSSA-N 1 0 373.497 2.323 20 30 FEEDRO C=CCNC(=O)CNC(=O)NC[C@H](c1ccccc1Cl)[NH+](CC)CC ZINC000180182169 547064092 /nfs/dbraw/zinc/06/40/92/547064092.db2.gz GNHOBIZRQFCUHH-MRXNPFEDSA-N 1 0 366.893 2.324 20 30 FEEDRO Cn1cc(C[N@@H+]2CC[C@@](O)(C(F)(F)F)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180192916 547065207 /nfs/dbraw/zinc/06/52/07/547065207.db2.gz SILPMEPEIFVNEB-INIZCTEOSA-N 1 0 350.344 2.458 20 30 FEEDRO N#CC1(NC(=O)[C@@H]2CCc3c[nH]nc3C2)CC[NH+](Cc2ccccc2)CC1 ZINC000482598436 561256602 /nfs/dbraw/zinc/25/66/02/561256602.db2.gz AJOFQXADVLFZLD-QGZVFWFLSA-N 1 0 363.465 2.189 20 30 FEEDRO N#CC1(NC(=O)[C@H]2CCc3c[nH]nc3C2)CC[NH+](Cc2ccccc2)CC1 ZINC000482598435 561256616 /nfs/dbraw/zinc/25/66/16/561256616.db2.gz AJOFQXADVLFZLD-KRWDZBQOSA-N 1 0 363.465 2.189 20 30 FEEDRO CCN1CC[NH+](C[C@@H](C)CNC(=O)c2ccc(C3(C#N)CC3)cc2)CC1 ZINC000180396308 547100053 /nfs/dbraw/zinc/10/00/53/547100053.db2.gz PAUMEUAHJNBFSI-KRWDZBQOSA-N 1 0 354.498 2.245 20 30 FEEDRO CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000482951577 561263751 /nfs/dbraw/zinc/26/37/51/561263751.db2.gz RXKRFENOYLDZTG-LJQANCHMSA-N 1 0 351.491 2.486 20 30 FEEDRO Cc1nc(C(=O)NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)ccc1C#N ZINC000180872647 547199316 /nfs/dbraw/zinc/19/93/16/547199316.db2.gz YQZKHBPSGZECPZ-IBGZPJMESA-N 1 0 364.449 2.148 20 30 FEEDRO CCS(=O)(=O)c1ccc(CNC(=[NH2+])NCc2ccccc2OC)cc1 ZINC000182269471 547464605 /nfs/dbraw/zinc/46/46/05/547464605.db2.gz WHTBHBXUBKUWAF-UHFFFAOYSA-N 1 0 361.467 2.093 20 30 FEEDRO COc1ccc([C@H](CCO)[NH2+]C[C@@H](O)COc2ccc(C#N)cc2)cc1 ZINC000182405625 547487610 /nfs/dbraw/zinc/48/76/10/547487610.db2.gz YTHVYVWNBFIWIU-XLIONFOSSA-N 1 0 356.422 2.020 20 30 FEEDRO C[NH+](C)CCCOC1CCN(C(=O)NCCOc2ccc(C#N)cc2)CC1 ZINC000483807253 561284410 /nfs/dbraw/zinc/28/44/10/561284410.db2.gz PHIWXOYWKRHLAC-UHFFFAOYSA-N 1 0 374.485 2.079 20 30 FEEDRO CCN(CC)C(=O)CCC1CC[NH+](CC(=O)N[C@](C)(C#N)C2CC2)CC1 ZINC000182551160 547512166 /nfs/dbraw/zinc/51/21/66/547512166.db2.gz JICMVAMQVHULMD-HXUWFJFHSA-N 1 0 362.518 2.155 20 30 FEEDRO C[N@@H+](CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)CC1CCC1 ZINC000182777896 547551310 /nfs/dbraw/zinc/55/13/10/547551310.db2.gz CWFCFCGPEQVZRH-IBGZPJMESA-N 1 0 358.461 2.266 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)CC1 ZINC000183041305 547591215 /nfs/dbraw/zinc/59/12/15/547591215.db2.gz VCHRLJQTTVUHJV-GOSISDBHSA-N 1 0 372.425 2.245 20 30 FEEDRO N#Cc1ccccc1-c1ccc(C[N@H+](CCO)CCN2CCOCC2)cc1 ZINC000484424042 561297595 /nfs/dbraw/zinc/29/75/95/561297595.db2.gz QNVOCMVPQMZRNW-UHFFFAOYSA-N 1 0 365.477 2.352 20 30 FEEDRO C[NH+](C)CCN1C[C@H](C(=O)NC2(C#N)CCC(C(C)(C)C)CC2)CC1=O ZINC000183906754 547737925 /nfs/dbraw/zinc/73/79/25/547737925.db2.gz MLEJJNYZUKAUNV-LSWWBPAMSA-N 1 0 362.518 2.011 20 30 FEEDRO C=CC[C@H](CO)NC(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCCC1 ZINC000185226182 547955127 /nfs/dbraw/zinc/95/51/27/547955127.db2.gz HFKRGNBHUAHQIH-IEBWSBKVSA-N 1 0 361.486 2.458 20 30 FEEDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2S(=O)(=O)c2cc(C#N)ccc2Cl)C1 ZINC000185281723 547964883 /nfs/dbraw/zinc/96/48/83/547964883.db2.gz WNVNJCFBSOWCFC-HIFRSBDPSA-N 1 0 353.875 2.316 20 30 FEEDRO COc1cc(C#N)ccc1S(=O)(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000185584703 548005340 /nfs/dbraw/zinc/00/53/40/548005340.db2.gz FLFJGOKUWBRWHK-INIZCTEOSA-N 1 0 363.483 2.206 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)NC2CCC(O)(c3cccnc3)CC2)CC1 ZINC000185734453 548027236 /nfs/dbraw/zinc/02/72/36/548027236.db2.gz PGZPSDWRVZDMJF-UHFFFAOYSA-N 1 0 358.486 2.161 20 30 FEEDRO C[C@@H]1CN(C(=O)C2(c3cccc(C#N)c3)CC2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000485699980 561326277 /nfs/dbraw/zinc/32/62/77/561326277.db2.gz XYQZTDLKYKOHQU-YLJYHZDGSA-N 1 0 366.509 2.074 20 30 FEEDRO C=CCc1ccccc1OC[C@H](O)C[NH+]1CCC(Cn2cncn2)CC1 ZINC000186255342 548107734 /nfs/dbraw/zinc/10/77/34/548107734.db2.gz BXSGHUFZZPEDRE-LJQANCHMSA-N 1 0 356.470 2.159 20 30 FEEDRO N#Cc1ccc(N2CCC[C@@H]([NH+]3CCC(Cn4cncn4)CC3)C2=O)cc1 ZINC000186267699 548110087 /nfs/dbraw/zinc/11/00/87/548110087.db2.gz PJJVCBOCUPQWAX-LJQANCHMSA-N 1 0 364.453 2.057 20 30 FEEDRO C[C@H](NC(=O)CNC(=O)c1ccc(C#N)cc1)[C@@H](c1ccccc1)[NH+](C)C ZINC000186494876 548143754 /nfs/dbraw/zinc/14/37/54/548143754.db2.gz ROLYTDYUTXFGLK-YWZLYKJASA-N 1 0 364.449 2.096 20 30 FEEDRO CC(C)(C)C(=O)N1CCC(C[NH+]2CCN(c3ccc(C#N)cn3)CC2)CC1 ZINC000186729456 548182082 /nfs/dbraw/zinc/18/20/82/548182082.db2.gz NAHWWBZVJKSPMQ-UHFFFAOYSA-N 1 0 369.513 2.360 20 30 FEEDRO C#CCOc1ccccc1NC(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000191698621 548348778 /nfs/dbraw/zinc/34/87/78/548348778.db2.gz YBUJRILJRHPVNL-UHFFFAOYSA-N 1 0 370.497 2.190 20 30 FEEDRO C=CCOc1cccc(C[NH2+]Cc2ccc(S(=O)(=O)CCO)cc2)c1 ZINC000191848599 548351217 /nfs/dbraw/zinc/35/12/17/548351217.db2.gz VWDVENFJMGCKHV-UHFFFAOYSA-N 1 0 361.463 2.307 20 30 FEEDRO C=CCN(CCc1ccccc1)C(=O)c1nnn(C2CC[NH2+]CC2)c1C ZINC000237733458 548848801 /nfs/dbraw/zinc/84/88/01/548848801.db2.gz RCAJBAHBNZGUKW-UHFFFAOYSA-N 1 0 353.470 2.382 20 30 FEEDRO N#Cc1ccc(NC(=O)NC[C@@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)cc1 ZINC000245543834 548943351 /nfs/dbraw/zinc/94/33/51/548943351.db2.gz ATBROEMLPOMBQF-RBUKOAKNSA-N 1 0 350.422 2.315 20 30 FEEDRO CC(=O)N1CC[C@H](C[N@@H+](C)[C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1 ZINC000246058221 549043540 /nfs/dbraw/zinc/04/35/40/549043540.db2.gz BFGJKFOJBHHBGL-CAZWYBIWSA-N 1 0 362.518 2.106 20 30 FEEDRO CCN(C[C@@H]1CC[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)C1)CC(F)(F)F ZINC000246201683 549075825 /nfs/dbraw/zinc/07/58/25/549075825.db2.gz MSZDXOQEAIBIFW-GOEBONIOSA-N 1 0 362.440 2.247 20 30 FEEDRO CCOC(=O)CC[C@@H]1CCC[N@H+](C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000246894656 549237917 /nfs/dbraw/zinc/23/79/17/549237917.db2.gz XKDRBOOFQADAJP-ZWKOTPCHSA-N 1 0 360.454 2.353 20 30 FEEDRO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000246950084 549249508 /nfs/dbraw/zinc/24/95/08/549249508.db2.gz FNMGIMPKNIUMIU-DLBZAZTESA-N 1 0 353.470 2.498 20 30 FEEDRO C=CC[C@@H](C)NC(=O)C(=O)Nc1ccccc1CN1C[C@@H](C)O[C@@H](C)C1 ZINC000246989364 549259198 /nfs/dbraw/zinc/25/91/98/549259198.db2.gz GBKLAPIIQKWUCG-OAGGEKHMSA-N 1 0 359.470 2.315 20 30 FEEDRO Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3C[C@H](C)CCC[C@H]3C)CC2)o1 ZINC000246999551 549261629 /nfs/dbraw/zinc/26/16/29/549261629.db2.gz TVBUDMAUFQQEBP-HUUCEWRRSA-N 1 0 359.474 2.014 20 30 FEEDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)NCc2ccc(C#N)cc2)[C@@H](C)C1 ZINC000247318867 549318185 /nfs/dbraw/zinc/31/81/85/549318185.db2.gz WWRDHAMQQFVXAS-LPHOPBHVSA-N 1 0 358.486 2.494 20 30 FEEDRO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)N2CCN(c3ccccc3C#N)CC2)C1 ZINC000247356882 549323652 /nfs/dbraw/zinc/32/36/52/549323652.db2.gz OIABUYZZYPYFAX-FUHWJXTLSA-N 1 0 355.486 2.119 20 30 FEEDRO C[C@H](O)C[N@@H+]1CCN(Cc2ccc(C#N)cc2Br)[C@H](C)C1 ZINC000248637936 549474175 /nfs/dbraw/zinc/47/41/75/549474175.db2.gz APWLOKMAAMIHFI-OLZOCXBDSA-N 1 0 352.276 2.208 20 30 FEEDRO C[C@H](O)C[N@@H+]1CCN(Cc2cc(C#N)ccc2Br)C[C@H]1C ZINC000249053466 549543876 /nfs/dbraw/zinc/54/38/76/549543876.db2.gz ONPKKEJUHBQUJV-OLZOCXBDSA-N 1 0 352.276 2.208 20 30 FEEDRO CC(=O)NC[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1 ZINC000249841441 549632643 /nfs/dbraw/zinc/63/26/43/549632643.db2.gz ZOEADNSSCYPLRA-OUBFZGACSA-N 1 0 362.518 2.154 20 30 FEEDRO CCOc1c(Br)cc(C=NNC(N)=[NH2+])cc1Br ZINC000252446992 549665535 /nfs/dbraw/zinc/66/55/35/549665535.db2.gz DSDJPIILKAAYHR-UHFFFAOYSA-N 1 0 364.041 2.427 20 30 FEEDRO CCc1ccc([C@H](C#N)NC(=O)c2ccnc(N3CC[NH+](C)CC3)c2)cc1 ZINC000489947052 561422951 /nfs/dbraw/zinc/42/29/51/561422951.db2.gz OFRRGVMWDAWHMO-IBGZPJMESA-N 1 0 363.465 2.390 20 30 FEEDRO C[NH+]=C(NCc1ccc(OC)c(OC)c1)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000261615301 549734959 /nfs/dbraw/zinc/73/49/59/549734959.db2.gz GQIYCCBGSPXBKS-QGTPRVQTSA-N 1 0 359.470 2.326 20 30 FEEDRO CC[NH+]=C(NC[C@](C)(O)c1cccs1)N[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000261639916 549737926 /nfs/dbraw/zinc/73/79/26/549737926.db2.gz DHACEHLPFOHVGF-TXPWEPMLSA-N 1 0 351.516 2.324 20 30 FEEDRO C/[NH+]=C(/NCc1cn2ccsc2n1)N1CCN(c2cccs2)CC1 ZINC000261667658 549740431 /nfs/dbraw/zinc/74/04/31/549740431.db2.gz BPCLOVOQDDRYRY-UHFFFAOYSA-N 1 0 360.512 2.355 20 30 FEEDRO C[NH+]=C(NCc1cn2ccc(C)cc2n1)N1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000261952161 549773859 /nfs/dbraw/zinc/77/38/59/549773859.db2.gz HTGHSNLTPXZFHQ-FUHWJXTLSA-N 1 0 365.485 2.498 20 30 FEEDRO CCc1nn(C)c(CC)c1CNC(=[NH+]C)N1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000261995303 549778101 /nfs/dbraw/zinc/77/81/01/549778101.db2.gz SFVAGTFEMFHHRU-HNAYVOBHSA-N 1 0 371.533 2.400 20 30 FEEDRO C[NH+]=C(NC[C@H](C)N1CCc2sccc2C1)N1CC[C@@H](COC)C1 ZINC000262450090 549820504 /nfs/dbraw/zinc/82/05/04/549820504.db2.gz JPKKJZQXHPQMQK-LSDHHAIUSA-N 1 0 350.532 2.038 20 30 FEEDRO C[NH+]=C(NCc1sc(C)nc1C)N[C@H]1CCC[C@H](C(=O)N(C)C)C1 ZINC000262612697 549832130 /nfs/dbraw/zinc/83/21/30/549832130.db2.gz AZFZVPBOHJXHNV-KBPBESRZSA-N 1 0 351.520 2.072 20 30 FEEDRO COc1ccc(CNC(=[NH2+])NCc2ccc(OC)c(OC)c2)cc1OC ZINC000264064750 549975094 /nfs/dbraw/zinc/97/50/94/549975094.db2.gz DRFZPEBZPUZEKZ-UHFFFAOYSA-N 1 0 359.426 2.326 20 30 FEEDRO Cc1ccc(NC(=[NH2+])NCc2cccnc2N2CCN(C)CC2)cc1C ZINC000264108309 549980187 /nfs/dbraw/zinc/98/01/87/549980187.db2.gz PYENOZYNNOWRCM-UHFFFAOYSA-N 1 0 352.486 2.377 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cccc(N3CCNC3=O)c2)CC1 ZINC000264392698 549995210 /nfs/dbraw/zinc/99/52/10/549995210.db2.gz NZKQTNUNFQNAPZ-UHFFFAOYSA-N 1 0 357.458 2.378 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)[C@@H]2CC(=O)N([C@H](C)c3ccccc3)C2)CC1 ZINC000264370146 549995447 /nfs/dbraw/zinc/99/54/47/549995447.db2.gz JJFNUNXPIOJKFP-SJLPKXTDSA-N 1 0 355.482 2.363 20 30 FEEDRO C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)Cc1ccc(OCC#N)cc1 ZINC000264580956 549998588 /nfs/dbraw/zinc/99/85/88/549998588.db2.gz VGWCKZGVPMUUHT-AWEZNQCLSA-N 1 0 359.451 2.429 20 30 FEEDRO CCC(=O)N[C@H]1CCC[N@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000491077012 561442534 /nfs/dbraw/zinc/44/25/34/561442534.db2.gz KWXXROPYWDTDBV-SFHVURJKSA-N 1 0 351.454 2.449 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCC(C(=O)OC)CC1)C(C)C ZINC000265188335 550007540 /nfs/dbraw/zinc/00/75/40/550007540.db2.gz ZJJHCIOOODUOIB-KRWDZBQOSA-N 1 0 351.491 2.280 20 30 FEEDRO C=CCc1ccc(OC[C@H](O)CN2CC[C@H](C[N@@H+](C)CC)C2)c(OC)c1 ZINC000266642819 550022575 /nfs/dbraw/zinc/02/25/75/550022575.db2.gz UZHGNWOWFILPEC-RTBURBONSA-N 1 0 362.514 2.437 20 30 FEEDRO CN(Cc1cccs1)C(=O)CON=C(N)c1ccc(C[NH+](C)C)cc1 ZINC000266991233 550026620 /nfs/dbraw/zinc/02/66/20/550026620.db2.gz BCZNYUQXSYSXLZ-UHFFFAOYSA-N 1 0 360.483 2.105 20 30 FEEDRO CN(C)C(=O)c1cccc(CON=C(N)c2ccc(C[NH+](C)C)cc2)c1 ZINC000267038792 550027297 /nfs/dbraw/zinc/02/72/97/550027297.db2.gz YKMGANFZHBMTII-UHFFFAOYSA-N 1 0 354.454 2.287 20 30 FEEDRO C=CCOc1ccc(C(=O)NC[C@@]2([NH+](C)C)CCSC2)cc1OC ZINC000267145621 550028211 /nfs/dbraw/zinc/02/82/11/550028211.db2.gz VLEYZJJXAUKXHB-SFHVURJKSA-N 1 0 350.484 2.427 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)c2ccc3c(c2)NC(=O)[C@H](C)N3C)CC1 ZINC000267334156 550029893 /nfs/dbraw/zinc/02/98/93/550029893.db2.gz BJRYIVDXYJQUOD-AWEZNQCLSA-N 1 0 356.470 2.234 20 30 FEEDRO Cc1ccc(-n2nc(CCCNC(=[NH2+])NC(C)(C)C)c(C#N)c2N)cc1 ZINC000267412891 550030859 /nfs/dbraw/zinc/03/08/59/550030859.db2.gz IPOAWHQZZPFLHS-UHFFFAOYSA-N 1 0 353.474 2.270 20 30 FEEDRO CCOC(=O)N1CCC(NC(=[NH2+])NC[C@H](C)Oc2cccc(F)c2)CC1 ZINC000267405235 550030943 /nfs/dbraw/zinc/03/09/43/550030943.db2.gz GVSSBBHOVAUJTP-ZDUSSCGKSA-N 1 0 366.437 2.118 20 30 FEEDRO COC[C@@](C)(CCO)[NH2+]CC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000267950954 550036068 /nfs/dbraw/zinc/03/60/68/550036068.db2.gz QEMJIEBZMUUULY-KBXCAEBGSA-N 1 0 365.499 2.396 20 30 FEEDRO C=CC[N@@H+](CCc1ccco1)C[C@@H](O)Cn1c(=O)onc1-c1ccccc1 ZINC000491331309 561444736 /nfs/dbraw/zinc/44/47/36/561444736.db2.gz XNHBUFCGFSCEOE-QGZVFWFLSA-N 1 0 369.421 2.188 20 30 FEEDRO Cc1ccc(CNC(Nc2ccccc2)=[NH+]C[C@@H]2CC[C@@H](C(N)=O)O2)cc1 ZINC000268375330 550056197 /nfs/dbraw/zinc/05/61/97/550056197.db2.gz IKRXEXUACIXLMR-OALUTQOASA-N 1 0 366.465 2.395 20 30 FEEDRO C[N@H+](CCNC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1)C1CC1 ZINC000492268619 561450558 /nfs/dbraw/zinc/45/05/58/561450558.db2.gz KEZKERYKVRLERZ-HNNXBMFYSA-N 1 0 359.449 2.060 20 30 FEEDRO C[C@H](NC(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1ccc(C#N)cc1 ZINC000268972493 550139255 /nfs/dbraw/zinc/13/92/55/550139255.db2.gz NOVJVJQFTDXOBG-GDIGMMSISA-N 1 0 356.470 2.296 20 30 FEEDRO C=CCN1C(=S)N=NC1c1sc(NC(=O)C[NH2+]CC2CC2)nc1C ZINC000269204642 550167168 /nfs/dbraw/zinc/16/71/68/550167168.db2.gz JYPWIYPLUAZWQY-UHFFFAOYSA-N 1 0 364.500 2.123 20 30 FEEDRO CCOc1ccc(N(CCC#N)C(=O)C[NH2+][C@@H]2CCC[C@@]2(C)CO)cc1 ZINC000493650096 561457373 /nfs/dbraw/zinc/45/73/73/561457373.db2.gz AYXGGEDUJNBTGU-QUCCMNQESA-N 1 0 359.470 2.473 20 30 FEEDRO C=C(C)COCC[NH2+]C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 ZINC000493740141 561457970 /nfs/dbraw/zinc/45/79/70/561457970.db2.gz ZUJGFZWQKISPGY-UHFFFAOYSA-N 1 0 368.499 2.031 20 30 FEEDRO N#CCCN(CCC#N)C(=O)C[N@@H+]1CCC[C@H]1Cn1cnc2ccccc21 ZINC000270548363 550282496 /nfs/dbraw/zinc/28/24/96/550282496.db2.gz YMJFKDLKLJWGRB-KRWDZBQOSA-N 1 0 364.453 2.157 20 30 FEEDRO CS[C@H]1CN(C(=O)CCCC(=O)Nc2ccccc2C#N)C[C@H]1[NH+](C)C ZINC000271145760 550345203 /nfs/dbraw/zinc/34/52/03/550345203.db2.gz PQMBTIACEYHKKR-SJORKVTESA-N 1 0 374.510 2.171 20 30 FEEDRO C[C@H]1C[C@@H](NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)CCO1 ZINC000271269483 550359543 /nfs/dbraw/zinc/35/95/43/550359543.db2.gz MEEZGBLPZKMGOF-LPHOPBHVSA-N 1 0 356.470 2.343 20 30 FEEDRO Cn1ccnc1[C@@](O)(CCNC(=[NH2+])NC1CCCCCC1)C(F)(F)F ZINC000271308979 550363320 /nfs/dbraw/zinc/36/33/20/550363320.db2.gz YDNIDEASCBOMKN-HNNXBMFYSA-N 1 0 361.412 2.187 20 30 FEEDRO C=CCN(CC=C)C(=O)C[NH2+][C@H]1CC(=O)N(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000494245542 561465536 /nfs/dbraw/zinc/46/55/36/561465536.db2.gz RZQVSFXAISAQLV-QFBILLFUSA-N 1 0 363.408 2.027 20 30 FEEDRO C#Cc1cc(F)c(NC(=O)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c(F)c1 ZINC000271685253 550395026 /nfs/dbraw/zinc/39/50/26/550395026.db2.gz HKCYGBXZFMWDCE-UHFFFAOYSA-N 1 0 363.408 2.310 20 30 FEEDRO C=C(C)[C@H]1OCC[C@H]1C(=O)NCc1ccc(CN2CC[NH+](CC)CC2)cc1 ZINC000494330449 561467440 /nfs/dbraw/zinc/46/74/40/561467440.db2.gz OQVOKNIKVJFRSJ-NHCUHLMSSA-N 1 0 371.525 2.422 20 30 FEEDRO C[NH+]1CCC(C)(CNC(=O)C(=O)Nc2ccccc2SCCC#N)CC1 ZINC000272768564 550470056 /nfs/dbraw/zinc/47/00/56/550470056.db2.gz ZOGOQILOWLVFET-UHFFFAOYSA-N 1 0 374.510 2.479 20 30 FEEDRO CC(C)OC(=O)C[C@@H]([NH2+]CC(=O)N(CCC#N)CCC#N)c1ccccc1 ZINC000272890548 550475412 /nfs/dbraw/zinc/47/54/12/550475412.db2.gz XSBMUYGKVMKHKO-GOSISDBHSA-N 1 0 370.453 2.315 20 30 FEEDRO COc1ccc(CNC(=[NH2+])NC[C@H](O)CCc2ccccc2)cc1OC ZINC000273340696 550495001 /nfs/dbraw/zinc/49/50/01/550495001.db2.gz NAZHIQLXLFWAEA-QGZVFWFLSA-N 1 0 357.454 2.102 20 30 FEEDRO C#CCOc1ccccc1NC(=O)C(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000274706764 550550134 /nfs/dbraw/zinc/55/01/34/550550134.db2.gz RXXANIFHHHOUTC-QGZVFWFLSA-N 1 0 371.481 2.408 20 30 FEEDRO CO/N=C(/C(=O)N1CC[C@@H](n2c(C)[nH+]c3c2CCCC3)C1)c1ccco1 ZINC000275240537 550571278 /nfs/dbraw/zinc/57/12/78/550571278.db2.gz FZLWICUOUPSORE-DCKJRJMFSA-N 1 0 356.426 2.487 20 30 FEEDRO CCN(CCC#N)C(=O)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000275577876 550572980 /nfs/dbraw/zinc/57/29/80/550572980.db2.gz BWNPWBGHLBIXJS-UHFFFAOYSA-N 1 0 356.470 2.416 20 30 FEEDRO C[C@@H](C#N)CN(C)C(=O)C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000275734609 550574124 /nfs/dbraw/zinc/57/41/24/550574124.db2.gz VGJOAWPIHZHPSM-HOTGVXAUSA-N 1 0 356.470 2.475 20 30 FEEDRO C=CCC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000276488055 550578621 /nfs/dbraw/zinc/57/86/21/550578621.db2.gz UJBUQCMZDBLWLU-LBPRGKRZSA-N 1 0 373.906 2.425 20 30 FEEDRO CN1C(=O)C[C@H]([NH2+]C[C@@H](O)c2ccc(C#N)cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000276961570 550616012 /nfs/dbraw/zinc/61/60/12/550616012.db2.gz QCSSLTLMUQMYSK-NSHGMRRFSA-N 1 0 371.387 2.431 20 30 FEEDRO N#CCCCCS(=O)(=O)NC[C@H]1CSCCN1Cc1ccccc1 ZINC000277254617 550648133 /nfs/dbraw/zinc/64/81/33/550648133.db2.gz WCGKHPZMTCUJHN-KRWDZBQOSA-N 1 0 367.540 2.217 20 30 FEEDRO C[C@H]1COCC[C@@H]1NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000277516770 550679919 /nfs/dbraw/zinc/67/99/19/550679919.db2.gz OXHLAQSWMUREMO-LPHOPBHVSA-N 1 0 356.470 2.201 20 30 FEEDRO C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000277626610 550693782 /nfs/dbraw/zinc/69/37/82/550693782.db2.gz ZMZBRHAGNHPFAL-GDBMZVCRSA-N 1 0 370.453 2.049 20 30 FEEDRO CC[C@@H](C)NC(=O)[C@H](C)[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000278650764 550808074 /nfs/dbraw/zinc/80/80/74/550808074.db2.gz MKLNXSNSSYOHKA-CABCVRRESA-N 1 0 354.458 2.252 20 30 FEEDRO C#CCn1ccc(CN(CC)C(=O)NC2CC[NH+](C3CCCC3)CC2)n1 ZINC000279512491 550898349 /nfs/dbraw/zinc/89/83/49/550898349.db2.gz OYOMXPAFJSVAGB-UHFFFAOYSA-N 1 0 357.502 2.455 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N[C@H](CO)c2ccccc2OC(F)(F)F)CC1 ZINC000279889308 550939977 /nfs/dbraw/zinc/93/99/77/550939977.db2.gz DXEXRPRRNPFULB-OAHLLOKOSA-N 1 0 370.371 2.080 20 30 FEEDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C2CCN(c3oc(C)nc3C#N)CC2)C1 ZINC000280127559 550963518 /nfs/dbraw/zinc/96/35/18/550963518.db2.gz MJKVZEMFPCICQQ-INIZCTEOSA-N 1 0 373.501 2.261 20 30 FEEDRO N#CCCn1cc(C[NH2+]C[C@H](CO)[C@@H]2CCOC2)c(-c2ccccc2)n1 ZINC000280389674 550988507 /nfs/dbraw/zinc/98/85/07/550988507.db2.gz WRNSJZHHHISPMY-IEBWSBKVSA-N 1 0 354.454 2.198 20 30 FEEDRO N#Cc1ccc(CNC(=O)CN2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000280455397 550995988 /nfs/dbraw/zinc/99/59/88/550995988.db2.gz NYXJFJDHDFCHAT-SZPZYZBQSA-N 1 0 374.488 2.238 20 30 FEEDRO Cc1nc(C#N)c(N2CCC(C(=O)N3CC[C@H]([NH+]4CCCCC4)C3)CC2)o1 ZINC000280515903 551002590 /nfs/dbraw/zinc/00/25/90/551002590.db2.gz MHXCYPKEFIBFKU-KRWDZBQOSA-N 1 0 371.485 2.158 20 30 FEEDRO CNC(=O)[C@@]1(C)CC[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000281078314 551061093 /nfs/dbraw/zinc/06/10/93/551061093.db2.gz JAMCEPZQNKEQRC-FQEVSTJZSA-N 1 0 351.454 2.422 20 30 FEEDRO C=C(C)[C@H]1OCC[C@H]1CNC(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000281959066 551162691 /nfs/dbraw/zinc/16/26/91/551162691.db2.gz YMZXBLMXRMAJQQ-PKOBYXMFSA-N 1 0 358.486 2.326 20 30 FEEDRO Cc1c(C#N)cccc1C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C ZINC000497585198 561504330 /nfs/dbraw/zinc/50/43/30/561504330.db2.gz MRWNEDVMLNEARZ-QFBILLFUSA-N 1 0 351.454 2.413 20 30 FEEDRO C#Cc1cc(F)c(NC(=O)C(=O)N2CC[C@H](C[NH+](CC)CC)C2)c(F)c1 ZINC000283224630 551331941 /nfs/dbraw/zinc/33/19/41/551331941.db2.gz JKSYRFZPHYDIIX-CQSZACIVSA-N 1 0 363.408 2.075 20 30 FEEDRO C#Cc1cc(F)c(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](CC)C[C@@H]2C)c(F)c1 ZINC000283403965 551360815 /nfs/dbraw/zinc/36/08/15/551360815.db2.gz WRCMMEDYMMVUKJ-LRDDRELGSA-N 1 0 363.408 2.073 20 30 FEEDRO CCN(CCCNC(=O)C(=O)NCc1cccc(C#N)c1)c1ccccc1 ZINC000283552303 551386522 /nfs/dbraw/zinc/38/65/22/551386522.db2.gz QTDOMHZNKVRMDV-UHFFFAOYSA-N 1 0 364.449 2.207 20 30 FEEDRO C=CCSCCNC(=O)C(=O)NCc1cccc(C[NH+](CC)CC)c1 ZINC000283835386 551435199 /nfs/dbraw/zinc/43/51/99/551435199.db2.gz ATSIJVIERLIXDP-UHFFFAOYSA-N 1 0 363.527 2.180 20 30 FEEDRO COCCn1cc(CNC(=[NH2+])Nc2ccccc2OC(F)(F)F)cn1 ZINC000284016663 551468637 /nfs/dbraw/zinc/46/86/37/551468637.db2.gz ZQWMRJHFUZWWEV-UHFFFAOYSA-N 1 0 357.336 2.355 20 30 FEEDRO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C(C)C ZINC000498074772 561515615 /nfs/dbraw/zinc/51/56/15/561515615.db2.gz NUTWGEFSILDLOZ-QRVBRYPASA-N 1 0 373.497 2.031 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)NCCCCOC(C)C)C(C)C ZINC000284055006 551475531 /nfs/dbraw/zinc/47/55/31/551475531.db2.gz MYIXXGFCBZNTPE-GOSISDBHSA-N 1 0 367.534 2.123 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N(C)[C@@H](C)c1ccncc1)C(C)C ZINC000284111746 551485801 /nfs/dbraw/zinc/48/58/01/551485801.db2.gz QGTRWTCTVQATBT-PKOBYXMFSA-N 1 0 372.513 2.416 20 30 FEEDRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)C(=O)NCc2cccc(C#N)c2)C1 ZINC000284164445 551495959 /nfs/dbraw/zinc/49/59/59/551495959.db2.gz YHYLPCZMSJXVHH-HZPDHXFCSA-N 1 0 370.497 2.047 20 30 FEEDRO C[C@H](NC(=O)C(=O)NCC1([NH+](C)C)CCCCC1)c1ccc(C#N)cc1 ZINC000284429464 551547403 /nfs/dbraw/zinc/54/74/03/551547403.db2.gz OQJJPVVZVZHUGF-HNNXBMFYSA-N 1 0 356.470 2.116 20 30 FEEDRO CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC000284458683 551553620 /nfs/dbraw/zinc/55/36/20/551553620.db2.gz RSWUJALKLJRCTF-UHFFFAOYSA-N 1 0 366.469 2.138 20 30 FEEDRO C[N@@H+]1CC[C@H]2OCCN(Cc3cn(CCC#N)nc3-c3ccccc3)[C@@H]2C1 ZINC000284459117 551553660 /nfs/dbraw/zinc/55/36/60/551553660.db2.gz AHKHPRQSWIXUIP-WOJBJXKFSA-N 1 0 365.481 2.369 20 30 FEEDRO COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]CCNC(=O)C2N=CC=CC2=O)cc1 ZINC000284562972 551578160 /nfs/dbraw/zinc/57/81/60/551578160.db2.gz YLHYXLTUZSDCKU-QPXGPNFJSA-N 1 0 355.438 2.303 20 30 FEEDRO COC(=O)c1cnoc1CO[NH+]=C(N)c1ccc(N2CCCCC2)cc1 ZINC000285045105 551695841 /nfs/dbraw/zinc/69/58/41/551695841.db2.gz GCPNZJNDPBLKRX-UHFFFAOYSA-N 1 0 358.398 2.289 20 30 FEEDRO CC(C)N(Cc1ccc(C#N)cc1)C(=O)C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000285151682 551711918 /nfs/dbraw/zinc/71/19/18/551711918.db2.gz ZDRNLAXIGIWPKW-UHFFFAOYSA-N 1 0 370.497 2.284 20 30 FEEDRO CN(C)CC[NH+]1CCC(CNC(=O)C(C)(C)c2cc(F)cc(C#N)c2)CC1 ZINC000285578518 551777724 /nfs/dbraw/zinc/77/77/24/551777724.db2.gz OGSHNNKMJYIDJH-UHFFFAOYSA-N 1 0 374.504 2.365 20 30 FEEDRO C[C@](C#N)(NC(=O)CN1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1)C1CC1 ZINC000285679857 551794295 /nfs/dbraw/zinc/79/42/95/551794295.db2.gz USZLFHIACLNYHB-YADHBBJMSA-N 1 0 366.509 2.393 20 30 FEEDRO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@H](C)[C@H]2CO)cc1 ZINC000498972692 561539791 /nfs/dbraw/zinc/53/97/91/561539791.db2.gz JGTPBAOEIUJNQG-QFBILLFUSA-N 1 0 359.470 2.425 20 30 FEEDRO COCC[NH+](CCOC)C1CCN(c2ncc(Cl)c(C)c2C#N)CC1 ZINC000286198271 551860153 /nfs/dbraw/zinc/86/01/53/551860153.db2.gz AVPVIVXZGRMZIJ-UHFFFAOYSA-N 1 0 366.893 2.479 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCCc3ccccc3C2)CC1 ZINC000286434966 551884856 /nfs/dbraw/zinc/88/48/56/551884856.db2.gz GRCSOWCBIXMQJX-UHFFFAOYSA-N 1 0 355.482 2.118 20 30 FEEDRO C[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)CC1 ZINC000286505436 551893936 /nfs/dbraw/zinc/89/39/36/551893936.db2.gz AZIGDFAUNTUORO-SJORKVTESA-N 1 0 358.461 2.466 20 30 FEEDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000286687680 551914563 /nfs/dbraw/zinc/91/45/63/551914563.db2.gz LPGQPLNZJXANJM-ABAIWWIYSA-N 1 0 355.410 2.084 20 30 FEEDRO C=CCOc1ccccc1CNC(=O)C(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000287274075 551983909 /nfs/dbraw/zinc/98/39/09/551983909.db2.gz JIEMTADGESWRSV-UHFFFAOYSA-N 1 0 373.497 2.058 20 30 FEEDRO COc1ccc(CCNC(=[NH2+])NCc2noc3c2CCCC3)cc1OC ZINC000287341563 551991757 /nfs/dbraw/zinc/99/17/57/551991757.db2.gz WTOXHIDVLGEJPS-UHFFFAOYSA-N 1 0 358.442 2.218 20 30 FEEDRO CC[NH+](CC)[C@H](C)CNC(=O)Nc1ccc(S(=O)(=O)[C@H](C)C#N)cc1 ZINC000287487579 552010646 /nfs/dbraw/zinc/01/06/46/552010646.db2.gz ZKNGQPNOPZAGOJ-ZIAGYGMSSA-N 1 0 366.487 2.224 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)CCC(=O)c1ccc2c(c1)OCCO2 ZINC000499342043 561549306 /nfs/dbraw/zinc/54/93/06/561549306.db2.gz IALXHSQAFSHMOS-UHFFFAOYSA-N 1 0 373.453 2.115 20 30 FEEDRO COc1cc(C[N@@H+]2CC[C@@H](Nc3nc(C)cc(C#N)n3)C2)cc(OC)c1 ZINC000287958337 552067782 /nfs/dbraw/zinc/06/77/82/552067782.db2.gz SQHGRLRHBJUBPL-OAHLLOKOSA-N 1 0 353.426 2.360 20 30 FEEDRO CCN(C[C@H](C)C#N)S(=O)(=O)NCC[NH+]1CCC2(CCCCC2)CC1 ZINC000499694880 561556292 /nfs/dbraw/zinc/55/62/92/561556292.db2.gz WOPAVBZNCSFFAT-QGZVFWFLSA-N 1 0 370.563 2.349 20 30 FEEDRO Cc1onc(CC(=O)N(CCCc2ccccc2)CC[NH+](C)C)c1C#N ZINC000499752889 561557548 /nfs/dbraw/zinc/55/75/48/561557548.db2.gz UPOCWBAVUSMCTJ-UHFFFAOYSA-N 1 0 354.454 2.420 20 30 FEEDRO Cc1onc(CC(=O)Nc2cccc([C@@H](C)N3CCOCC3)c2)c1C#N ZINC000499991676 561563545 /nfs/dbraw/zinc/56/35/45/561563545.db2.gz JYLFVBAEPIBOGW-CYBMUJFWSA-N 1 0 354.410 2.429 20 30 FEEDRO C=CCN1CC[C@@H]([N@H+](C)C[C@@H](O)COc2c(Cl)cccc2Cl)C1=O ZINC000499989556 561563634 /nfs/dbraw/zinc/56/36/34/561563634.db2.gz TZLAXEAMRPKJFN-IUODEOHRSA-N 1 0 373.280 2.452 20 30 FEEDRO C=CCN1CC[C@H](N(C)CC(=O)NC[C@H](c2ccccc2)C(C)C)C1=O ZINC000499994864 561563649 /nfs/dbraw/zinc/56/36/49/561563649.db2.gz HYWINSOUJPXNEM-OALUTQOASA-N 1 0 357.498 2.261 20 30 FEEDRO C[C@@H](CC#N)N(C)S(=O)(=O)NCc1ccc2c(c1)nc(C1CC1)n2C ZINC000289046335 552257838 /nfs/dbraw/zinc/25/78/38/552257838.db2.gz DBYQUJIXOBJPIU-LBPRGKRZSA-N 1 0 361.471 2.019 20 30 FEEDRO C=CCCCCNC(=O)C(=O)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000289244375 552288330 /nfs/dbraw/zinc/28/83/30/552288330.db2.gz VCXSMLKVYRUXTF-HKUYNNGSSA-N 1 0 357.498 2.486 20 30 FEEDRO COC(=O)C[C@H](C)CC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000289288810 552295604 /nfs/dbraw/zinc/29/56/04/552295604.db2.gz GXVKJYKLPOVBHH-MRXNPFEDSA-N 1 0 357.454 2.182 20 30 FEEDRO O=c1nc(C2CC[NH+](CC#Cc3ccc(OC(F)(F)F)cc3)CC2)[nH][nH]1 ZINC000289518210 552334043 /nfs/dbraw/zinc/33/40/43/552334043.db2.gz VMAMNOWYHQWVLX-UHFFFAOYSA-N 1 0 366.343 2.228 20 30 FEEDRO N#Cc1cncc(S(=O)(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)c1 ZINC000289768075 552375561 /nfs/dbraw/zinc/37/55/61/552375561.db2.gz LCMDWQJNNASLRL-GOSISDBHSA-N 1 0 356.451 2.069 20 30 FEEDRO C[C@H](Cc1ccc(F)cc1Br)[NH2+]CCn1cnc(C#N)n1 ZINC000290081897 552424678 /nfs/dbraw/zinc/42/46/78/552424678.db2.gz IYOQKEQYRQFYGZ-SNVBAGLBSA-N 1 0 352.211 2.272 20 30 FEEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H]1c2ccccc2CC12CCOCC2 ZINC000290146764 552434823 /nfs/dbraw/zinc/43/48/23/552434823.db2.gz NFDYJSNDNWLKRE-YOEHRIQHSA-N 1 0 357.454 2.071 20 30 FEEDRO C[C@@H]1CCC[N@H+](CCCCNC(=O)C(=O)Nc2ccc(C#N)c(F)c2)C1 ZINC000290325586 552460460 /nfs/dbraw/zinc/46/04/60/552460460.db2.gz WATZJWSWEJMKKQ-CQSZACIVSA-N 1 0 360.433 2.264 20 30 FEEDRO C=CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[NH+](CC)CC1 ZINC000290387554 552471261 /nfs/dbraw/zinc/47/12/61/552471261.db2.gz NGDSVJOORDHJOT-UHFFFAOYSA-N 1 0 352.442 2.057 20 30 FEEDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)C(=O)Nc1cc(C#N)ccc1Cl ZINC000290563862 552498718 /nfs/dbraw/zinc/49/87/18/552498718.db2.gz YVOZWMPZMJAWGA-GFCCVEGCSA-N 1 0 350.850 2.387 20 30 FEEDRO C=C[C@@H](CO)NC(=O)Nc1ccc(OC)c(OCC[NH+](CC)CC)c1 ZINC000290602782 552505354 /nfs/dbraw/zinc/50/53/54/552505354.db2.gz YTQLOYOJGDJKEI-AWEZNQCLSA-N 1 0 351.447 2.084 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N2CCCN3c4ccccc4C[C@H]3C2)CC1 ZINC000290649504 552512685 /nfs/dbraw/zinc/51/26/85/552512685.db2.gz FHLQIDUGWZNJKW-IBGZPJMESA-N 1 0 354.498 2.483 20 30 FEEDRO C#Cc1ccccc1CC(=O)NCc1ccc(OCC[NH+](C)C)c(OC)c1 ZINC000290677169 552518151 /nfs/dbraw/zinc/51/81/51/552518151.db2.gz LSPSEOMGLYYIGB-UHFFFAOYSA-N 1 0 366.461 2.476 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ncn(C(C)(C)C)n1 ZINC000291129042 552590502 /nfs/dbraw/zinc/59/05/02/552590502.db2.gz ALZMOQFIOAJEHM-UHFFFAOYSA-N 1 0 354.458 2.109 20 30 FEEDRO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[NH2+][C@@H](C)Cn1cccn1 ZINC000501236643 561593070 /nfs/dbraw/zinc/59/30/70/561593070.db2.gz SRSAMNXVHSBDMV-JKSUJKDBSA-N 1 0 355.442 2.205 20 30 FEEDRO C[C@H]([NH2+]CCC(=O)N(C)CCC#N)c1ccc(N2CCCNC2=O)cc1 ZINC000291267863 552608231 /nfs/dbraw/zinc/60/82/31/552608231.db2.gz PHYQKCAPNSHIAT-HNNXBMFYSA-N 1 0 357.458 2.019 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCC(F)(F)[C@H](CO)C1)C(C)C ZINC000291579892 552639653 /nfs/dbraw/zinc/63/96/53/552639653.db2.gz YGECUTFIQTYNKL-HOTGVXAUSA-N 1 0 359.461 2.344 20 30 FEEDRO COCC1(C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)CCOCC1 ZINC000291648420 552647237 /nfs/dbraw/zinc/64/72/37/552647237.db2.gz CKJZFNVTIRVHEB-UHFFFAOYSA-N 1 0 354.454 2.492 20 30 FEEDRO C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCN(c4ccc(C#N)cc4F)C3)C2)C1 ZINC000292048363 552688250 /nfs/dbraw/zinc/68/82/50/552688250.db2.gz AQUJZVONZCZWPG-OXJNMPFZSA-N 1 0 356.445 2.078 20 30 FEEDRO C[N@H+](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)C1(CO)CCC1 ZINC000292048827 552688379 /nfs/dbraw/zinc/68/83/79/552688379.db2.gz BHVURFBQYDTJJK-UHFFFAOYSA-N 1 0 354.372 2.020 20 30 FEEDRO N#Cc1ccc(O[C@H]2CC[N@@H+](C[C@@H](O)COCc3ccccc3F)C2)nc1 ZINC000292096126 552693260 /nfs/dbraw/zinc/69/32/60/552693260.db2.gz FXPICIPBWBOWPO-MSOLQXFVSA-N 1 0 371.412 2.123 20 30 FEEDRO CN(C(=O)CC[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1)c1ccccc1 ZINC000292123729 552696000 /nfs/dbraw/zinc/69/60/00/552696000.db2.gz IEVJFLKDXXMCCT-SFHVURJKSA-N 1 0 350.422 2.459 20 30 FEEDRO Cc1ccccc1OC[C@H](O)C[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292280558 552711845 /nfs/dbraw/zinc/71/18/45/552711845.db2.gz SUIYFUKADLFOQV-QZTJIDSGSA-N 1 0 353.422 2.155 20 30 FEEDRO COc1cc(C#N)ccc1OCC[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292280672 552711864 /nfs/dbraw/zinc/71/18/64/552711864.db2.gz SVAMFTDSPIQYSS-QGZVFWFLSA-N 1 0 364.405 2.366 20 30 FEEDRO N#Cc1ccc(O[C@H]2CC[N@@H+](C[C@H](O)COCc3cccs3)C2)nc1 ZINC000292375438 552720884 /nfs/dbraw/zinc/72/08/84/552720884.db2.gz YWBXTHOQEMDWLK-HOTGVXAUSA-N 1 0 359.451 2.046 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N(Cc2ccc(C(N)=O)cc2F)C2CC2)CC1 ZINC000292445887 552727555 /nfs/dbraw/zinc/72/75/55/552727555.db2.gz YTKLIERVGZWSST-UHFFFAOYSA-N 1 0 374.460 2.249 20 30 FEEDRO C=CCCCS(=O)(=O)NCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000292711992 552751922 /nfs/dbraw/zinc/75/19/22/552751922.db2.gz UARQKHQMSMUKLO-GOSISDBHSA-N 1 0 352.500 2.029 20 30 FEEDRO C=C[C@H](CO)NC(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000292932987 552772116 /nfs/dbraw/zinc/77/21/16/552772116.db2.gz KLXZNUUOXZKUOP-IOASZLSFSA-N 1 0 355.841 2.318 20 30 FEEDRO C[N@@H+]1CCC[C@@]2(CCN([C@H]3CCCN(c4ccc(C#N)cc4)C3=O)C2)C1 ZINC000292968391 552775636 /nfs/dbraw/zinc/77/56/36/552775636.db2.gz MCTZXLJDKQMHFE-PZJWPPBQSA-N 1 0 352.482 2.471 20 30 FEEDRO C[N@@H+]1CCC[C@]2(CCN(C(=O)C(=O)Nc3ccc(Cl)c(C#N)c3)C2)C1 ZINC000293291827 552808146 /nfs/dbraw/zinc/80/81/46/552808146.db2.gz IBILGOCEFOWVIC-SFHVURJKSA-N 1 0 360.845 2.094 20 30 FEEDRO C[N@@H+]1CCC[C@]2(CCN(C(=O)C(=O)Nc3ccc(C#N)cc3Cl)C2)C1 ZINC000293530801 552832691 /nfs/dbraw/zinc/83/26/91/552832691.db2.gz ZNHJKKNQSIUUOO-SFHVURJKSA-N 1 0 360.845 2.094 20 30 FEEDRO N#Cc1ccc(O[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C3CCCC3)C2)nc1 ZINC000293734901 552851429 /nfs/dbraw/zinc/85/14/29/552851429.db2.gz NPWGZCONMBZPKE-QZTJIDSGSA-N 1 0 354.454 2.340 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)CCNC(=O)c1ccc2ccccc2c1 ZINC000293937348 552869359 /nfs/dbraw/zinc/86/93/59/552869359.db2.gz IMUIKCOHHUYFDA-UHFFFAOYSA-N 1 0 351.450 2.031 20 30 FEEDRO Cc1nc(C#N)c(N2CCC(C(=O)NCCCCC[NH+]3CCCC3)CC2)o1 ZINC000294043489 552877706 /nfs/dbraw/zinc/87/77/06/552877706.db2.gz XOMSTBQDTDBBRR-UHFFFAOYSA-N 1 0 373.501 2.453 20 30 FEEDRO COc1cc(/C=C/C(=O)Nc2ccnn2CC[NH+](C)C)ccc1OCC#N ZINC000294107295 552882261 /nfs/dbraw/zinc/88/22/61/552882261.db2.gz OUWTTWSUSZBWKC-FNORWQNLSA-N 1 0 369.425 2.008 20 30 FEEDRO C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2sccc2C#N)C[N@@H+]1Cc1ccccc1 ZINC000294230815 552889730 /nfs/dbraw/zinc/88/97/30/552889730.db2.gz XNZCXLCNHIGPIM-CZUORRHYSA-N 1 0 368.462 2.337 20 30 FEEDRO C#CCNC(=O)CC[NH+]1CCC(O)(c2cccc(OC(F)(F)F)c2)CC1 ZINC000294635467 552922512 /nfs/dbraw/zinc/92/25/12/552922512.db2.gz PNWJLEWBTMXUFC-UHFFFAOYSA-N 1 0 370.371 2.008 20 30 FEEDRO C[NH+](C)CCCOc1cnccc1CNc1ncc(C#N)cc1[N+](=O)[O-] ZINC000295743632 553052959 /nfs/dbraw/zinc/05/29/59/553052959.db2.gz YPMWCOFUSRWAGN-UHFFFAOYSA-N 1 0 356.386 2.199 20 30 FEEDRO C=CCn1c(Cn2nc(C)cc2C)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC000295879990 553070868 /nfs/dbraw/zinc/07/08/68/553070868.db2.gz GZMKWZSBTSPZIB-UHFFFAOYSA-N 1 0 357.506 2.246 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCC[C@@H](Cn2ccnn2)C1)C(C)C ZINC000502629209 561622489 /nfs/dbraw/zinc/62/24/89/561622489.db2.gz AYXTTWPSRAZZRO-MOPGFXCFSA-N 1 0 374.533 2.398 20 30 FEEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CN2CCC[C@@H](O)[C@H]2C)c1C#N ZINC000296446689 553161320 /nfs/dbraw/zinc/16/13/20/553161320.db2.gz WUMPRFMZJLMBMO-CRAIPNDOSA-N 1 0 370.453 2.402 20 30 FEEDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1c1ncc(Br)cc1C#N ZINC000296805395 553214213 /nfs/dbraw/zinc/21/42/13/553214213.db2.gz PPKISPKHMNWXRT-LBPRGKRZSA-N 1 0 365.275 2.405 20 30 FEEDRO C#CC[N@@H+](C)CCCNC(=O)N[C@@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000297019704 553242951 /nfs/dbraw/zinc/24/29/51/553242951.db2.gz VDXNOPAWJYEFDP-HNNXBMFYSA-N 1 0 356.470 2.350 20 30 FEEDRO C[C@H]1CN(C(=O)C(=O)Nc2sc(C(C)(C)C)cc2C#N)C[C@@H]1[NH+](C)C ZINC000297274888 553272092 /nfs/dbraw/zinc/27/20/92/553272092.db2.gz GLFGKOFFPABKBJ-AAEUAGOBSA-N 1 0 362.499 2.264 20 30 FEEDRO C=C(C)CN(Cc1ccccc1)C(=O)C(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000298086131 553382284 /nfs/dbraw/zinc/38/22/84/553382284.db2.gz TZFLBUIIIRYETC-LJQANCHMSA-N 1 0 353.466 2.064 20 30 FEEDRO N#CC[C@@H]1CC[C@H](NC(=O)N[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2CO)C1 ZINC000298170519 553393388 /nfs/dbraw/zinc/39/33/88/553393388.db2.gz QPTLOOSQPGSZTN-LEAZDLGRSA-N 1 0 370.497 2.251 20 30 FEEDRO Cc1cc(N2CCC(NC(=O)N[C@H]3CC[C@@H](CC#N)C3)CC2)nc(C)n1 ZINC000298453814 553426642 /nfs/dbraw/zinc/42/66/42/553426642.db2.gz NVGFUILYNYNYAM-RDJZCZTQSA-N 1 0 356.474 2.444 20 30 FEEDRO C[NH+](C)CCOc1cccc(CNS(=O)(=O)Cc2cccc(C#N)c2)c1 ZINC000298863878 553482380 /nfs/dbraw/zinc/48/23/80/553482380.db2.gz ROSZLGRUPWZELT-UHFFFAOYSA-N 1 0 373.478 2.118 20 30 FEEDRO C=CCN(CCc1ccccc1)C(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000299035211 553506591 /nfs/dbraw/zinc/50/65/91/553506591.db2.gz ILRIQJWXWJNOOD-HXUWFJFHSA-N 1 0 369.509 2.188 20 30 FEEDRO C=CCN(CCc1ccccc1)C(=O)C(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000299192718 553528094 /nfs/dbraw/zinc/52/80/94/553528094.db2.gz SGPYVHAAKSHFGH-JOCHJYFZSA-N 1 0 369.509 2.188 20 30 FEEDRO CS[C@H]1CN(CCC(=O)Nc2ccccc2C#N)C[C@@H]1[NH+]1CCCC1 ZINC000299197512 553529024 /nfs/dbraw/zinc/52/90/24/553529024.db2.gz FBCQLZVFVNLCII-ROUUACIJSA-N 1 0 358.511 2.398 20 30 FEEDRO CS[C@@H]1CN(CCC(=O)Nc2ccccc2C#N)C[C@H]1[NH+]1CCCC1 ZINC000299197511 553529218 /nfs/dbraw/zinc/52/92/18/553529218.db2.gz FBCQLZVFVNLCII-QZTJIDSGSA-N 1 0 358.511 2.398 20 30 FEEDRO CC[NH+]1CCN(c2ccc(CNC(=O)N3CCC(C)(C#N)CC3)cn2)CC1 ZINC000504001636 561651613 /nfs/dbraw/zinc/65/16/13/561651613.db2.gz ALYPSSUMQVOKHL-UHFFFAOYSA-N 1 0 370.501 2.059 20 30 FEEDRO C=CCOc1cccc(C[NH2+]Cc2ccc(OCC(N)=O)c(OC)c2)c1 ZINC000299316014 553546790 /nfs/dbraw/zinc/54/67/90/553546790.db2.gz GLROYRVSVKXTOU-UHFFFAOYSA-N 1 0 356.422 2.414 20 30 FEEDRO CCC[C@H]([NH2+]C(C)C)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000504335910 561656537 /nfs/dbraw/zinc/65/65/37/561656537.db2.gz HYANJLHWHCGTSD-ZWKOTPCHSA-N 1 0 356.470 2.337 20 30 FEEDRO Cc1ccc([C@H](CNc2ccc(S(N)(=O)=O)cc2C#N)[NH+](C)C)cc1 ZINC000301372903 553646250 /nfs/dbraw/zinc/64/62/50/553646250.db2.gz QEHZAFISHYWGER-SFHVURJKSA-N 1 0 358.467 2.229 20 30 FEEDRO C[N@@H+]1CCCC[C@H]1CN1CCN(c2nc3c(cc2C#N)CCCC3)CC1 ZINC000301900480 553689695 /nfs/dbraw/zinc/68/96/95/553689695.db2.gz USPMBTNEOIKGGV-IBGZPJMESA-N 1 0 353.514 2.438 20 30 FEEDRO CC[NH+]1CCN(CCCNc2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000302663332 553724469 /nfs/dbraw/zinc/72/44/69/553724469.db2.gz MBVQOMCJYNKILU-UHFFFAOYSA-N 1 0 368.441 2.454 20 30 FEEDRO C=CCN1C(=O)c2ccc(C(=O)N3CC[C@]4(C3)CCC[N@@H+](C)C4)cc2C1=O ZINC000505568927 561674219 /nfs/dbraw/zinc/67/42/19/561674219.db2.gz OZOGEONHXYUUHF-OAQYLSRUSA-N 1 0 367.449 2.027 20 30 FEEDRO N#Cc1cncc(S(=O)(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000312038696 553756071 /nfs/dbraw/zinc/75/60/71/553756071.db2.gz UWAWPQPCLAVXPA-QGZVFWFLSA-N 1 0 370.478 2.144 20 30 FEEDRO CCC(=O)N1CC[C@H](NC(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)C1 ZINC000328599559 553794524 /nfs/dbraw/zinc/79/45/24/553794524.db2.gz CDVCAMHTEQZGHC-DOTOQJQBSA-N 1 0 350.507 2.298 20 30 FEEDRO C[C@@H]1C[C@@H](NC(=O)N2C[C@@H]3COC[C@H](C2)O3)CC[N@@H+]1Cc1ccccc1 ZINC000328661351 553804102 /nfs/dbraw/zinc/80/41/02/553804102.db2.gz AEAJSZJXZVFRMP-LULLPPNCSA-N 1 0 359.470 2.053 20 30 FEEDRO CC[C@@H]1CN(C(=O)N[C@@H]2CCCC23CCOCC3)CC[N@@H+]1CCOC ZINC000328689931 553807658 /nfs/dbraw/zinc/80/76/58/553807658.db2.gz DFGGRKQLSJKGHO-IAGOWNOFSA-N 1 0 353.507 2.292 20 30 FEEDRO Cc1cc(=O)c(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)cn1C1CC1 ZINC000328780902 553821277 /nfs/dbraw/zinc/82/12/77/553821277.db2.gz MRDOZEJBLOAGIT-HNNXBMFYSA-N 1 0 359.470 2.297 20 30 FEEDRO C[C@@H]1CN(C(=O)[C@H](Cc2c[nH]cn2)NC(=O)C2CCCCC2)[C@@H](C)CO1 ZINC000328796690 553823285 /nfs/dbraw/zinc/82/32/85/553823285.db2.gz UZQTXYSKUQIBCN-VBQJREDUSA-N 1 0 362.474 2.493 20 30 FEEDRO CC(=O)N1CC[C@H](C[N@@H+](C)CC(=O)Nc2ccc3c(c2)OC(F)(F)O3)C1 ZINC000328822119 553827799 /nfs/dbraw/zinc/82/77/99/553827799.db2.gz IAKLEMVRRGUTJQ-GFCCVEGCSA-N 1 0 369.368 2.396 20 30 FEEDRO CC(C)c1nc2n(n1)C[C@H](NC(=O)N1CC[C@H](C3CC[NH+](C)CC3)C1)CC2 ZINC000328853174 553833498 /nfs/dbraw/zinc/83/34/98/553833498.db2.gz JCMRMIFIFFEZPS-DLBZAZTESA-N 1 0 374.533 2.294 20 30 FEEDRO CC(=O)N1CC[C@H](C[N@@H+](C)CC(=O)Nc2ccc3c(c2)OCCCO3)C1 ZINC000328860018 553834503 /nfs/dbraw/zinc/83/45/03/553834503.db2.gz VDHYSOSWCCCWDX-OAHLLOKOSA-N 1 0 361.442 2.236 20 30 FEEDRO CC[NH+]1CCC(CCNC(=O)[C@@H]2CC(=O)N(C)[C@H]2c2ccnn2C)CC1 ZINC000328859978 553834537 /nfs/dbraw/zinc/83/45/37/553834537.db2.gz YXVQTDDZJYXEOR-CRAIPNDOSA-N 1 0 361.490 2.018 20 30 FEEDRO CC(=O)N[C@H](C(=O)N1CCC([N@H+]2CCO[C@H](C)C2)CC1)C1CCCC1 ZINC000329029384 553867860 /nfs/dbraw/zinc/86/78/60/553867860.db2.gz PFHFFVXBRKKJPW-KDOFPFPSSA-N 1 0 351.491 2.233 20 30 FEEDRO [O-]C(=[NH+]C1CC[NH+](C2CCCCC2)CC1)N1CCC[C@H]1Cn1ccnn1 ZINC000329089129 553878593 /nfs/dbraw/zinc/87/85/93/553878593.db2.gz VWFKFFLJQSGGTA-SFHVURJKSA-N 1 0 360.506 2.454 20 30 FEEDRO CN1CCOC[C@@H]1C(=O)Nc1ccccc1C[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000329131673 553886594 /nfs/dbraw/zinc/88/65/94/553886594.db2.gz OXKZILDVQOPEHC-DOTOQJQBSA-N 1 0 360.458 2.352 20 30 FEEDRO C[NH+](C)C1(CNC(=O)N[C@H]2CC(=O)N(C3CCCCC3)C2)CCCC1 ZINC000329137233 553887427 /nfs/dbraw/zinc/88/74/27/553887427.db2.gz HLZXRBDQCREVSA-HNNXBMFYSA-N 1 0 350.507 2.298 20 30 FEEDRO CC(C)[C@@H]1C[C@H](NC(=O)NCC2([NH+]3CCCC3)CCOCC2)CCO1 ZINC000329140826 553888110 /nfs/dbraw/zinc/88/81/10/553888110.db2.gz JUEGYAWXHWJBRB-SJORKVTESA-N 1 0 353.507 2.339 20 30 FEEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)N2CC[C@H]3[C@@H](C2)NC(=O)N3C)C1 ZINC000329143582 553888342 /nfs/dbraw/zinc/88/83/42/553888342.db2.gz VQTVPBGFEROIMR-DDBAPUKQSA-N 1 0 371.485 2.038 20 30 FEEDRO CC(C)N1C(=O)N[C@@H]2CN(C(=O)NC[C@H](C)[NH+]3CCC(C)CC3)CC[C@@H]21 ZINC000329147144 553888973 /nfs/dbraw/zinc/88/89/73/553888973.db2.gz XOULXDYBFNJJGL-BBWFWOEESA-N 1 0 365.522 2.102 20 30 FEEDRO C[C@H](Oc1ccccc1F)C(=O)NC1CC[NH+]([C@@H]2CCN(C)C2=O)CC1 ZINC000329161428 553892365 /nfs/dbraw/zinc/89/23/65/553892365.db2.gz FQGSLOLLFRKTEH-XJKSGUPXSA-N 1 0 363.433 2.245 20 30 FEEDRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CCCN2C(=O)C2CCCC2)C1 ZINC000329207193 553902538 /nfs/dbraw/zinc/90/25/38/553902538.db2.gz ZWBGQXGQCQMBAS-MSOLQXFVSA-N 1 0 365.518 2.481 20 30 FEEDRO CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)CNC(=O)Nc2cccc(C)c2)C1 ZINC000329210064 553903282 /nfs/dbraw/zinc/90/32/82/553903282.db2.gz YTRAOSKLIKSAIC-ROUUACIJSA-N 1 0 374.485 2.033 20 30 FEEDRO CC1(C)C[C@@H](NC(=O)NCC2([NH+]3CCCC3)CCOCC2)C(C)(C)O1 ZINC000329241450 553909194 /nfs/dbraw/zinc/90/91/94/553909194.db2.gz NOXGOSADHHUHRF-OAHLLOKOSA-N 1 0 353.507 2.481 20 30 FEEDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NCC(=O)N1CCCc2ccccc21 ZINC000329244554 553909825 /nfs/dbraw/zinc/90/98/25/553909825.db2.gz PXQWYAAGOVSNJI-AEFFLSMTSA-N 1 0 370.497 2.438 20 30 FEEDRO CC[C@H](NC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)C1CCOCC1 ZINC000329245813 553910061 /nfs/dbraw/zinc/91/00/61/553910061.db2.gz AITXEKJVDZKRCC-OTWHNJEPSA-N 1 0 367.534 2.463 20 30 FEEDRO C[C@H](C(=O)N[C@@H]1CCCN(S(=O)(=O)C2CC2)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000329264445 553913349 /nfs/dbraw/zinc/91/33/49/553913349.db2.gz GRYRRMXJCNBPNI-LXTVHRRPSA-N 1 0 357.520 2.161 20 30 FEEDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCOC[C@@H]2[C@H]2CCCO2)C1 ZINC000329278799 553916595 /nfs/dbraw/zinc/91/65/95/553916595.db2.gz MEQMMOGDPSOLQQ-BRWVUGGUSA-N 1 0 353.507 2.291 20 30 FEEDRO NC(=O)CC1CCN(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CC1 ZINC000329281432 553917318 /nfs/dbraw/zinc/91/73/18/553917318.db2.gz MMFXUCOXMCYAJX-IAGOWNOFSA-N 1 0 366.506 2.306 20 30 FEEDRO CC[C@@H]1CCCN(C(=O)Nc2ccnc(C(=O)N3CCN(C)CC3)c2)C1 ZINC000329289127 553918431 /nfs/dbraw/zinc/91/84/31/553918431.db2.gz PYQRWXQNIIAILH-OAHLLOKOSA-N 1 0 359.474 2.137 20 30 FEEDRO CC(C)(C)c1cnc(CNC(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)o1 ZINC000329291851 553919019 /nfs/dbraw/zinc/91/90/19/553919019.db2.gz QYWOWVCXMBILJE-AWEZNQCLSA-N 1 0 364.490 2.477 20 30 FEEDRO CCc1ccc(C(=O)N2CCN(C(=O)N[C@H]3CC[N@@H+](C4CC4)C3)CC2)cc1 ZINC000329326802 553925743 /nfs/dbraw/zinc/92/57/43/553925743.db2.gz WVSDKKPHANQTCY-SFHVURJKSA-N 1 0 370.497 2.158 20 30 FEEDRO N#Cc1cnn(-c2ccc(C(=O)N3CC[C@@H]([NH+]4CCCCC4)C3)cc2)c1N ZINC000329329822 553926267 /nfs/dbraw/zinc/92/62/67/553926267.db2.gz VMXHTQIIJVYFER-GOSISDBHSA-N 1 0 364.453 2.027 20 30 FEEDRO C[C@@H]1CCC[C@@](CNC(=O)N(C)Cc2cnc(N(C)C)nc2)([NH+](C)C)C1 ZINC000329367222 553933078 /nfs/dbraw/zinc/93/30/78/553933078.db2.gz HGECWVDZLYDANX-DNVCBOLYSA-N 1 0 362.522 2.399 20 30 FEEDRO C[C@H](NC(=O)N1CCOC[C@@H]1[C@@H]1CCCO1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000329391434 553937268 /nfs/dbraw/zinc/93/72/68/553937268.db2.gz STNWMZWMNXJXRA-DKKFBQAASA-N 1 0 365.518 2.433 20 30 FEEDRO C[C@H](NC(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)C(=O)N1CCCC1 ZINC000329472291 553953194 /nfs/dbraw/zinc/95/31/94/553953194.db2.gz BENFIBQYBRQBBZ-JYJNAYRXSA-N 1 0 350.507 2.154 20 30 FEEDRO Cc1noc([C@@H]2CC[C@H](CNC(=O)N(C)C3C[C@H]4CC[C@@H](C3)[N@H+]4C)O2)n1 ZINC000329489452 553956637 /nfs/dbraw/zinc/95/66/37/553956637.db2.gz HLFXTCYMHQWUBZ-FVPDABNVSA-N 1 0 363.462 2.069 20 30 FEEDRO O=C(NCC1([NH+]2CCCC2)CCOCC1)N1CCC[C@@H]1C1CCOCC1 ZINC000329491134 553956991 /nfs/dbraw/zinc/95/69/91/553956991.db2.gz SSBWBRUJPFSUEH-GOSISDBHSA-N 1 0 365.518 2.436 20 30 FEEDRO Cc1nnc2n1C[C@H](C[NH+]=C([O-])N1CC[NH+](CC3CCCCC3)CC1)CC2 ZINC000329651646 553982714 /nfs/dbraw/zinc/98/27/14/553982714.db2.gz KXHXURWOLVDNEJ-SFHVURJKSA-N 1 0 374.533 2.261 20 30 FEEDRO C[C@H](C(=O)NCCc1c[nH]c2ccccc12)N1CCN2CCOC[C@@H]2C1 ZINC000329664562 553984449 /nfs/dbraw/zinc/98/44/49/553984449.db2.gz JXUFVKAUAYAAND-WBVHZDCISA-N 1 0 356.470 2.072 20 30 FEEDRO CC[NH+]1CCN(c2ccccc2NC(=O)N2C[C@@H]3CC[C@@H](O)[C@H]3C2)CC1 ZINC000329669721 553985878 /nfs/dbraw/zinc/98/58/78/553985878.db2.gz SOPBAJPZXGVUKB-TXPKVOOTSA-N 1 0 358.486 2.077 20 30 FEEDRO C[C@H](NC(=O)NC[C@@H]1CCCCS1(=O)=O)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000329693103 553990255 /nfs/dbraw/zinc/99/02/55/553990255.db2.gz AVSOWRKBDLAFJP-ZOBUZTSGSA-N 1 0 371.547 2.110 20 30 FEEDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N2C[C@@H]3CC[C@H](O)[C@H]3C2)CC1 ZINC000329749185 553999847 /nfs/dbraw/zinc/99/98/47/553999847.db2.gz HHQBJKKHVMDQOX-XIVBQZFQSA-N 1 0 358.486 2.224 20 30 FEEDRO N#CCN1CCC(CNC(=O)c2ccc(C[NH+]3CCSCC3)cc2)CC1 ZINC000329803881 554008720 /nfs/dbraw/zinc/00/87/20/554008720.db2.gz JXNBYVXYGKIDOX-UHFFFAOYSA-N 1 0 372.538 2.201 20 30 FEEDRO C[C@@H]1C[C@@H](NC(=O)N2CCC(CC(=O)N3CCCC3)CC2)CC[N@@H+]1C ZINC000329805122 554009272 /nfs/dbraw/zinc/00/92/72/554009272.db2.gz MSASHVODHRXPCB-WBVHZDCISA-N 1 0 350.507 2.108 20 30 FEEDRO CN1CC[NH+](CC2(C)CCN(C(=O)N[C@@H]3CCCc4c[nH]nc43)CC2)CC1 ZINC000329810310 554010227 /nfs/dbraw/zinc/01/02/27/554010227.db2.gz CHJGYSMLGIFWIG-QGZVFWFLSA-N 1 0 374.533 2.051 20 30 FEEDRO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)Nc1cccc(N2CCS(=O)(=O)CC2)c1 ZINC000329860086 554020179 /nfs/dbraw/zinc/02/01/79/554020179.db2.gz PEWJIPCFZHSUTJ-GASCZTMLSA-N 1 0 365.499 2.382 20 30 FEEDRO CCC1(CC)CN(CC(=O)NC2CC[NH+](C3CC3)CC2)CC[S@@]1=O ZINC000329890894 554025790 /nfs/dbraw/zinc/02/57/90/554025790.db2.gz GZQDISIEHSRDFA-DEOSSOPVSA-N 1 0 355.548 2.193 20 30 FEEDRO C[C@@H]1CN(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)C[C@H](C2CC2)O1 ZINC000329925903 554032738 /nfs/dbraw/zinc/03/27/38/554032738.db2.gz VTFVLFOCNWEDQJ-DQEVTTJGSA-N 1 0 365.518 2.168 20 30 FEEDRO CCN1CCN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C[C@H]1c1ncc[nH]1 ZINC000329971984 554041732 /nfs/dbraw/zinc/04/17/32/554041732.db2.gz VWAYBIJYLAHGAA-HMQMGEFJSA-N 1 0 360.506 2.018 20 30 FEEDRO CCS(=O)(=O)N1CCC[C@H](C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)C1 ZINC000329974018 554042241 /nfs/dbraw/zinc/04/22/41/554042241.db2.gz YXKOQCZHPGFLSJ-HOCLYGCPSA-N 1 0 357.520 2.022 20 30 FEEDRO C[C@H](NC(=O)N1CC[C@H](N2CCCC2=O)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000330034782 554052590 /nfs/dbraw/zinc/05/25/90/554052590.db2.gz BHUQKGVZGLBBSP-JZXOWHBKSA-N 1 0 362.518 2.250 20 30 FEEDRO Cn1cc([C@@H]2[C@H](C(=O)NC[C@H]3CC[N@H+](C)C3)CC(=O)N2C(C)(C)C)cn1 ZINC000330034506 554052694 /nfs/dbraw/zinc/05/26/94/554052694.db2.gz BAWXGNXKLHSJFM-FRFSOERESA-N 1 0 361.490 2.016 20 30 FEEDRO CC(=O)N1CCN(C(=O)N[C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)[C@@H](C)C1 ZINC000330062398 554057549 /nfs/dbraw/zinc/05/75/49/554057549.db2.gz PFGXYBNMFHHNNK-FRQCXROJSA-N 1 0 358.486 2.289 20 30 FEEDRO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cn([C@@H]2CCOC2)nn1 ZINC000330070680 554059073 /nfs/dbraw/zinc/05/90/73/554059073.db2.gz XGVAHRPYOAIMAO-QGZVFWFLSA-N 1 0 355.442 2.209 20 30 FEEDRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)NC[C@@H]1CCC2(CCCCC2)O1 ZINC000330078885 554060738 /nfs/dbraw/zinc/06/07/38/554060738.db2.gz FSNVYXHTPRALGP-SJORKVTESA-N 1 0 352.523 2.008 20 30 FEEDRO CS[C@@H]1CN(CC(=O)Nc2c(C)nn(C)c2C)C[C@@H]1[NH+]1CCCC1 ZINC000330098592 554063748 /nfs/dbraw/zinc/06/37/48/554063748.db2.gz CBYOBWYBVXXQMF-LSDHHAIUSA-N 1 0 351.520 2.137 20 30 FEEDRO C[N@H+](CCO)C1CCN(C(=O)NCc2nc3ccccc3n2C2CC2)CC1 ZINC000330149518 554073907 /nfs/dbraw/zinc/07/39/07/554073907.db2.gz KFERRSPNBBPUEV-UHFFFAOYSA-N 1 0 371.485 2.174 20 30 FEEDRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H]2C[C@H]2C2CCCCC2)CC1 ZINC000330156291 554075890 /nfs/dbraw/zinc/07/58/90/554075890.db2.gz YSJSRZSOHYOERO-RCCFBDPRSA-N 1 0 362.518 2.108 20 30 FEEDRO CO[C@@H]1CN(C(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)C[C@@H]1OC ZINC000330170930 554078016 /nfs/dbraw/zinc/07/80/16/554078016.db2.gz DZOJLBDERQTDOK-MPTYRVRUSA-N 1 0 367.515 2.391 20 30 FEEDRO COC[C@H](NC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc(F)cc1 ZINC000330175936 554078627 /nfs/dbraw/zinc/07/86/27/554078627.db2.gz BYDCYUXIZJCLDK-QAPCUYQASA-N 1 0 365.449 2.081 20 30 FEEDRO CS(=O)(=O)N1CCC([NH2+]C2CCC(C#N)(c3ccccc3)CC2)CC1 ZINC000507654520 561736856 /nfs/dbraw/zinc/73/68/56/561736856.db2.gz UYNSVSOMFWDWTK-UHFFFAOYSA-N 1 0 361.511 2.404 20 30 FEEDRO C[C@@H]1N(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CCOC1(C)C ZINC000330220627 554087514 /nfs/dbraw/zinc/08/75/14/554087514.db2.gz KZDVMEBZFHWWJS-UAGQMJEPSA-N 1 0 353.507 2.168 20 30 FEEDRO CN(CCC1CCOCC1)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000330217675 554087626 /nfs/dbraw/zinc/08/76/26/554087626.db2.gz IQZWAOMPSWGHKL-QZTJIDSGSA-N 1 0 353.507 2.027 20 30 FEEDRO Cc1nn(C)c(C)c1CN1CCN(C(=O)NCC2CC(F)(F)C2)CC1 ZINC000330235807 554090233 /nfs/dbraw/zinc/09/02/33/554090233.db2.gz YYRZHJCMPJCABL-UHFFFAOYSA-N 1 0 355.433 2.114 20 30 FEEDRO C[C@]1(CNC(=O)N[C@H]2CCc3ncnn3C2)CCC[N@@H+]1Cc1ccccc1 ZINC000330246448 554092156 /nfs/dbraw/zinc/09/21/56/554092156.db2.gz LGLIVDWMLLVWIJ-FXAWDEMLSA-N 1 0 368.485 2.151 20 30 FEEDRO CC(C)N1C[C@H](NC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC1=O ZINC000330246636 554092219 /nfs/dbraw/zinc/09/22/19/554092219.db2.gz FGXPMUZTYORJGZ-GOSISDBHSA-N 1 0 358.486 2.295 20 30 FEEDRO C[NH+](C)CC1(CNC(=O)N2CCS(=O)(=O)[C@@H]3CCCC[C@H]32)CCCC1 ZINC000330261149 554095115 /nfs/dbraw/zinc/09/51/15/554095115.db2.gz UAUDEXNMDSMCJF-HZPDHXFCSA-N 1 0 371.547 2.064 20 30 FEEDRO Cc1nnc([C@@H](C)NC(=O)N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)s1 ZINC000330324235 554105659 /nfs/dbraw/zinc/10/56/59/554105659.db2.gz UAPOWZBHJQINSA-NWDGAFQWSA-N 1 0 353.492 2.007 20 30 FEEDRO CC[NH+](CC)C[C@H](C)NC(=O)N1CCN(C(=O)c2ccc(C)s2)CC1 ZINC000330484582 554127241 /nfs/dbraw/zinc/12/72/41/554127241.db2.gz YEZIAVFMCTUHKK-AWEZNQCLSA-N 1 0 366.531 2.459 20 30 FEEDRO COc1cc(NC(=O)N2CC[N@H+](C[C@H](C)O)C[C@H]2C)ccc1OC(C)C ZINC000330580425 554141127 /nfs/dbraw/zinc/14/11/27/554141127.db2.gz TYBBGODZWAGODW-CABCVRRESA-N 1 0 365.474 2.415 20 30 FEEDRO CCC[NH+]1CCC(CNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)CC1 ZINC000330582531 554141372 /nfs/dbraw/zinc/14/13/72/554141372.db2.gz UUBNCTYGIUXDSL-UHFFFAOYSA-N 1 0 367.515 2.364 20 30 FEEDRO COCC[N@@H+]1CC[C@@H](NC(=O)NCc2cc(Br)cs2)C1 ZINC000330838386 554177594 /nfs/dbraw/zinc/17/75/94/554177594.db2.gz MFKQJZGHXGXOGG-LLVKDONJSA-N 1 0 362.293 2.235 20 30 FEEDRO CCCCNC(=O)NC(=O)C[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@H](C)CC[C@@H]1O ZINC000330920441 554188532 /nfs/dbraw/zinc/18/85/32/554188532.db2.gz PESBDFJDMHPLCZ-TWMKSMIVSA-N 1 0 353.507 2.468 20 30 FEEDRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)c1cc(NC(=O)C(C)(C)C)ccc1F ZINC000330928749 554190275 /nfs/dbraw/zinc/19/02/75/554190275.db2.gz ZRSGVJTTXPXROP-AWEZNQCLSA-N 1 0 364.465 2.361 20 30 FEEDRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000330945876 554192603 /nfs/dbraw/zinc/19/26/03/554192603.db2.gz AHUXIZOFIQSXEB-NSHDSACASA-N 1 0 354.382 2.056 20 30 FEEDRO C=CCn1c(Cc2ccsc2)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC000508480446 561763251 /nfs/dbraw/zinc/76/32/51/561763251.db2.gz GYMNPCZPKGKUDS-UHFFFAOYSA-N 1 0 373.526 2.417 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C2(NC(=O)NC(C)C)CCCCC2)CC1 ZINC000331013468 554201257 /nfs/dbraw/zinc/20/12/57/554201257.db2.gz SVNYDLJEXRKRTD-UHFFFAOYSA-N 1 0 350.507 2.368 20 30 FEEDRO CC(C)NC(=O)[C@@H]1CCC[C@H](NC(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC000331152722 554222766 /nfs/dbraw/zinc/22/27/66/554222766.db2.gz OSJZMTSYAAQPLF-YYIAUSFCSA-N 1 0 352.523 2.446 20 30 FEEDRO CNC(=O)NC(=O)CC[NH+]1CCN([C@H](C)c2ccc(Cl)cc2)CC1 ZINC000331233042 554234122 /nfs/dbraw/zinc/23/41/22/554234122.db2.gz FPOLBQRCYNGJJI-CYBMUJFWSA-N 1 0 352.866 2.069 20 30 FEEDRO CC(C)c1nn(C)cc1NC(=O)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000331245447 554235817 /nfs/dbraw/zinc/23/58/17/554235817.db2.gz PENYFQOVADJFQY-INIZCTEOSA-N 1 0 350.511 2.141 20 30 FEEDRO C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)[C@@H]1CCCOC1 ZINC000508770359 561772223 /nfs/dbraw/zinc/77/22/23/561772223.db2.gz OBBBIDLSHJSTAG-VQIMIIECSA-N 1 0 358.486 2.447 20 30 FEEDRO CCC[NH+]1CCC(NC(=O)c2cc(S(=O)(=O)N(C)C)c(C)o2)CC1 ZINC000331279662 554240777 /nfs/dbraw/zinc/24/07/77/554240777.db2.gz DUQSYZDXCQCBQF-UHFFFAOYSA-N 1 0 357.476 2.017 20 30 FEEDRO CCCNC(=O)[C@@H]1CCCN(C(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)C1 ZINC000331316836 554246378 /nfs/dbraw/zinc/24/63/78/554246378.db2.gz JHYMHXCNLWOMSK-HZPDHXFCSA-N 1 0 352.523 2.259 20 30 FEEDRO O=C(NC[C@H]1CCCC[N@H+]1CCO)c1ccc(Br)cc1O ZINC000331329595 554247956 /nfs/dbraw/zinc/24/79/56/554247956.db2.gz OCUCMOHUINDZQL-GFCCVEGCSA-N 1 0 357.248 2.306 20 30 FEEDRO C=CCn1c(C(=O)NC(CC)CC)nnc1N1CC[N@H+](C)[C@H](C(C)C)C1 ZINC000508909310 561777953 /nfs/dbraw/zinc/77/79/53/561777953.db2.gz YZLQRZZCFKYGSC-INIZCTEOSA-N 1 0 362.522 2.159 20 30 FEEDRO C=CCn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000508916631 561778246 /nfs/dbraw/zinc/77/82/46/561778246.db2.gz HEWOXSWAADLYLS-KRWDZBQOSA-N 1 0 374.533 2.447 20 30 FEEDRO CC(C)(C#N)c1ccccc1C[N@@H+]1CCC[C@@](O)(C(=O)N2CCCC2)C1 ZINC000331743750 554320009 /nfs/dbraw/zinc/32/00/09/554320009.db2.gz YAYBORREGDTNJN-NRFANRHFSA-N 1 0 355.482 2.437 20 30 FEEDRO Cc1c(C#N)cccc1C(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000509497097 561802404 /nfs/dbraw/zinc/80/24/04/561802404.db2.gz ZNGUBLOGJOEJLW-UHFFFAOYSA-N 1 0 364.449 2.088 20 30 FEEDRO N#Cc1ccc(N2CCN(C(=O)N[C@H]3CCC[C@H]([NH3+])C3)CC2)c(Cl)c1 ZINC000332517740 554460708 /nfs/dbraw/zinc/46/07/08/554460708.db2.gz AYDXWMOCRTUVSS-GJZGRUSLSA-N 1 0 361.877 2.313 20 30 FEEDRO CN(CCC[N@H+](C)Cc1ccco1)S(=O)(=O)CC1(C#N)CCCC1 ZINC000510683007 561843207 /nfs/dbraw/zinc/84/32/07/561843207.db2.gz OWRQVHSHYRYCHF-UHFFFAOYSA-N 1 0 353.488 2.447 20 30 FEEDRO N#Cc1cc(F)ccc1CS(=O)(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000333413205 554610828 /nfs/dbraw/zinc/61/08/28/554610828.db2.gz KMJDLQCSTQCJPR-INIZCTEOSA-N 1 0 351.447 2.134 20 30 FEEDRO N#Cc1ccc(NCCCC[NH+]2CCN(Cc3ccccc3)CC2)nn1 ZINC000611239821 554618909 /nfs/dbraw/zinc/61/89/09/554618909.db2.gz VUYMNWGANLCSEV-UHFFFAOYSA-N 1 0 350.470 2.358 20 30 FEEDRO N#Cc1cc(Br)cnc1N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000333639625 554630063 /nfs/dbraw/zinc/63/00/63/554630063.db2.gz HXRNLGPQJGKSPR-CABCVRRESA-N 1 0 365.275 2.438 20 30 FEEDRO C[C@H](NC(=O)N1CCCN(c2ccccc2C#N)CC1)[C@@H]1CCC[NH2+]C1 ZINC000333644733 554630298 /nfs/dbraw/zinc/63/02/98/554630298.db2.gz IVXPMBSZVWMAEP-FUHWJXTLSA-N 1 0 355.486 2.168 20 30 FEEDRO C[NH+](C)C1CCN(C(=O)Cc2noc(/C=C/c3cccc(C#N)c3)n2)CC1 ZINC000350948646 554825070 /nfs/dbraw/zinc/82/50/70/554825070.db2.gz GYYDGIJQRZRVGG-VOTSOKGWSA-N 1 0 365.437 2.207 20 30 FEEDRO CC[NH+]1CCN(c2ccc(-c3noc(-c4ccc(C#N)n4C)n3)cn2)CC1 ZINC000351100113 554836761 /nfs/dbraw/zinc/83/67/61/554836761.db2.gz ISMSOIFMVVCRLD-UHFFFAOYSA-N 1 0 363.425 2.151 20 30 FEEDRO C[C@H](C(=O)N(C)CCC#N)[NH+]1CCC([C@@H]2c3ccccc3NC2=O)CC1 ZINC000360186526 554866060 /nfs/dbraw/zinc/86/60/60/554866060.db2.gz FSKVPCVZNRUDLE-RDTXWAMCSA-N 1 0 354.454 2.195 20 30 FEEDRO N#CCCn1ccc(=NC(=O)N2CCCN(Cc3ccccc3F)CC2)[nH]1 ZINC000360426870 554874373 /nfs/dbraw/zinc/87/43/73/554874373.db2.gz SUXIJSOWDJNJBI-UHFFFAOYSA-N 1 0 370.432 2.676 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)[C@@H]2CC(=O)N(c3ccccc3CC)C2)CC1 ZINC000361672188 554928567 /nfs/dbraw/zinc/92/85/67/554928567.db2.gz SRHXCFLBTOCQPC-GOSISDBHSA-N 1 0 367.493 2.206 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC[C@@H]1C(=O)NC1CC1)C(C)C ZINC000362473550 554974549 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371.466 2.125 20 30 FEEDRO CC[N@@H+]1CCc2c(cccc2-n2nnc(C(=O)N(C)C[C@@H](C)C#N)c2C)C1 ZINC000363397377 555095273 /nfs/dbraw/zinc/09/52/73/555095273.db2.gz NFSOFTPPCLSQLL-AWEZNQCLSA-N 1 0 366.469 2.185 20 30 FEEDRO CC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CCCN(c2nc(C)ccc2C#N)C1 ZINC000363587951 555142758 /nfs/dbraw/zinc/14/27/58/555142758.db2.gz FKLMMNPFIGIEAV-AEFFLSMTSA-N 1 0 357.502 2.325 20 30 FEEDRO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1NC(=O)Cc1ccc(OCC#N)cc1 ZINC000363663958 555158978 /nfs/dbraw/zinc/15/89/78/555158978.db2.gz VYGHXMJIHWCEGB-UXPWSPDFSA-N 1 0 371.481 2.137 20 30 FEEDRO C=CC[C@H](CO)NC(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1ccc(OC)cc1 ZINC000363785660 555185987 /nfs/dbraw/zinc/18/59/87/555185987.db2.gz ZMCYNQRELUSNMG-ZHALLVOQSA-N 1 0 361.486 2.314 20 30 FEEDRO COc1cc(C#N)ccc1OCCCC(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000363941979 555218628 /nfs/dbraw/zinc/21/86/28/555218628.db2.gz SFQWHOWYIUSCGB-IAGOWNOFSA-N 1 0 357.454 2.469 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N2CC[C@H](OCc3c(C)noc3C)C2)CC1 ZINC000364005491 555231879 /nfs/dbraw/zinc/23/18/79/555231879.db2.gz SPFVQYPQOXQQJG-KRWDZBQOSA-N 1 0 362.474 2.242 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)NC2CC[NH+](CC3CCCCC3)CC2)cn1 ZINC000364043975 555239375 /nfs/dbraw/zinc/23/93/75/555239375.db2.gz VPBVHMDVXNYVEP-UHFFFAOYSA-N 1 0 362.499 2.276 20 30 FEEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000364161498 555260863 /nfs/dbraw/zinc/26/08/63/555260863.db2.gz MNRPXKVSJFCGBR-HKUYNNGSSA-N 1 0 359.470 2.256 20 30 FEEDRO C#CCn1ccc(CN(CCOC)C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)n1 ZINC000364184580 555265086 /nfs/dbraw/zinc/26/50/86/555265086.db2.gz CFNKRVYZCCDZRW-SFHVURJKSA-N 1 0 372.513 2.146 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000364230834 555275053 /nfs/dbraw/zinc/27/50/53/555275053.db2.gz LVZHWDDBFRHDKZ-HXUWFJFHSA-N 1 0 363.502 2.237 20 30 FEEDRO C=CCN(C(=O)Nc1nccn(C)c1=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000364288297 555285426 /nfs/dbraw/zinc/28/54/26/555285426.db2.gz GSLLVJZDEHEQDF-QGZVFWFLSA-N 1 0 367.453 2.075 20 30 FEEDRO C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N2CCC(C#N)CC2)[C@H]1c1cccs1 ZINC000512764183 561914664 /nfs/dbraw/zinc/91/46/64/561914664.db2.gz BVPDHRTXNSNIGB-RDJZCZTQSA-N 1 0 374.510 2.009 20 30 FEEDRO CC1CC[NH+](CCNC(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)CC1 ZINC000512671775 561911891 /nfs/dbraw/zinc/91/18/91/561911891.db2.gz GWZFTCLLVPOVAW-FQEVSTJZSA-N 1 0 369.513 2.138 20 30 FEEDRO C=C[C@](C)(CCOC)C(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000364840449 555412664 /nfs/dbraw/zinc/41/26/64/555412664.db2.gz NEBKOQCNQCIZFD-HXUWFJFHSA-N 1 0 351.535 2.091 20 30 FEEDRO CCn1nc2c(cc1=O)CN(Cc1ccc(C#N)cc1Br)CC2 ZINC000364856669 555416619 /nfs/dbraw/zinc/41/66/19/555416619.db2.gz AHLXUMLKJSXMBI-UHFFFAOYSA-N 1 0 373.254 2.456 20 30 FEEDRO CCN(CCC#N)C(=O)C[NH2+][C@H]1CCN(Cc2cnc(C)s2)C[C@@H]1C ZINC000364898750 555430099 /nfs/dbraw/zinc/43/00/99/555430099.db2.gz WNJKMTRCFIRMQG-YOEHRIQHSA-N 1 0 363.531 2.014 20 30 FEEDRO Cc1ncc(CN2CC[C@H]([NH2+][C@H](C)C(=O)N(C)CCC#N)[C@@H](C)C2)s1 ZINC000364920497 555437495 /nfs/dbraw/zinc/43/74/95/555437495.db2.gz ZEQQSNIUPXPXFE-VBQJREDUSA-N 1 0 363.531 2.012 20 30 FEEDRO COc1ccc(CN2CCC[N@@H+]([C@H](C)CO)CC2)cc1OCCCC#N ZINC000364924478 555439238 /nfs/dbraw/zinc/43/92/38/555439238.db2.gz UTEWPOCNBZLVAV-QGZVFWFLSA-N 1 0 361.486 2.266 20 30 FEEDRO CCc1nc(CN2C[C@@H]3C[N@@H+](Cc4ccc(C#N)c(F)c4)C[C@@H]3C2)no1 ZINC000365267956 555527492 /nfs/dbraw/zinc/52/74/92/555527492.db2.gz ORKQPJDUZQWRRZ-IYBDPMFKSA-N 1 0 355.417 2.207 20 30 FEEDRO N#Cc1ccc(-c2nnc(C[NH2+][C@@H]3CCCC[C@@H]3N3CCOCC3)o2)cc1 ZINC000365617723 555623306 /nfs/dbraw/zinc/62/33/06/555623306.db2.gz CQXPOUSQDZXCEP-MSOLQXFVSA-N 1 0 367.453 2.341 20 30 FEEDRO Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N(C)[C@H]3CCC[N@H+](C)C3)C2)n1 ZINC000365768517 555663120 /nfs/dbraw/zinc/66/31/20/555663120.db2.gz HAMFLEXAHIAGHJ-MSOLQXFVSA-N 1 0 355.486 2.031 20 30 FEEDRO C=CC(C)(C)CC[NH2+]C1CCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1 ZINC000527929786 562308681 /nfs/dbraw/zinc/30/86/81/562308681.db2.gz WOTDTPRTGROGOV-UHFFFAOYSA-N 1 0 354.520 2.372 20 30 FEEDRO C#CCOc1cc(F)ccc1NC(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000365834121 555678648 /nfs/dbraw/zinc/67/86/48/555678648.db2.gz ATMLDYHUNBBQRD-UHFFFAOYSA-N 1 0 371.416 2.945 20 30 FEEDRO C[C@H](NC(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1)C(C)(C)C[NH+](C)C ZINC000366164180 555769629 /nfs/dbraw/zinc/76/96/29/555769629.db2.gz WJFUFFKKRWVIRI-HOCLYGCPSA-N 1 0 359.474 2.092 20 30 FEEDRO C[NH+](C)C[C@@H]1CN(S(=O)(=O)Cc2cccc(C#N)c2)c2ccccc2O1 ZINC000366185220 555775311 /nfs/dbraw/zinc/77/53/11/555775311.db2.gz ZOLFMWLAFWUMQM-QGZVFWFLSA-N 1 0 371.462 2.217 20 30 FEEDRO CCCCCCCCOCC(=O)N=c1nc(C2CC[NH2+]CC2)[nH]n1C ZINC000366462872 555850658 /nfs/dbraw/zinc/85/06/58/555850658.db2.gz YXPYWRCFXMAPQZ-UHFFFAOYSA-N 1 0 351.495 2.020 20 30 FEEDRO C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000366623708 555893408 /nfs/dbraw/zinc/89/34/08/555893408.db2.gz YVBJUILMWDSZTK-QQFBHYJXSA-N 1 0 370.453 2.049 20 30 FEEDRO Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)NCC3(C)CC[NH+](C)CC3)C2)n1 ZINC000366721867 555918121 /nfs/dbraw/zinc/91/81/21/555918121.db2.gz LWZSUQUHMZVNJT-GOSISDBHSA-N 1 0 369.513 2.326 20 30 FEEDRO C[C@H](C#N)CN(C)S(=O)(=O)N(C)C1CC[NH+](C2CCC(C)CC2)CC1 ZINC000367136234 556002155 /nfs/dbraw/zinc/00/21/55/556002155.db2.gz WISYPVVAVOCELM-UPTPFMHGSA-N 1 0 370.563 2.298 20 30 FEEDRO N#Cc1ccc(S(N)(=O)=O)cc1N1CCC[C@H]([NH+]2CCCCCC2)C1 ZINC000367434870 556048035 /nfs/dbraw/zinc/04/80/35/556048035.db2.gz LCBPWXHHJNJXSN-INIZCTEOSA-N 1 0 362.499 2.050 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2CCC[C@H]3C[NH2+]CCC[C@H]32)c(Cl)c1 ZINC000367689672 556115660 /nfs/dbraw/zinc/11/56/60/556115660.db2.gz QCJSFEDYAKBEBT-DZGCQCFKSA-N 1 0 353.875 2.364 20 30 FEEDRO C#CCCCNC(=O)N1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000367757921 556131708 /nfs/dbraw/zinc/13/17/08/556131708.db2.gz BSVRSZOREBCZSW-FQEVSTJZSA-N 1 0 354.498 2.002 20 30 FEEDRO CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000368045941 556203196 /nfs/dbraw/zinc/20/31/96/556203196.db2.gz PMRZQRGRGXHVIP-QLPKVWCKSA-N 1 0 353.426 2.161 20 30 FEEDRO N#Cc1c(Cl)cccc1S(=O)(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000368106752 556221270 /nfs/dbraw/zinc/22/12/70/556221270.db2.gz BEQPXZRSAOZQEO-ZDUSSCGKSA-N 1 0 353.875 2.222 20 30 FEEDRO CN(CCC#N)C(=O)CC[N@@H+]1CC[C@H]2[C@H](CCN2C(=O)OC(C)(C)C)C1 ZINC000368348972 556284341 /nfs/dbraw/zinc/28/43/41/556284341.db2.gz PABCNFYJVVDJKY-CVEARBPZSA-N 1 0 364.490 2.080 20 30 FEEDRO C=CCn1c([C@H](C)OCCOC)nnc1N(C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000515333511 562005572 /nfs/dbraw/zinc/00/55/72/562005572.db2.gz STGXTFAZBJDAPO-IXDOHACOSA-N 1 0 365.522 2.355 20 30 FEEDRO C=CCn1c([C@H](C)OCCOC)nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000515333510 562005620 /nfs/dbraw/zinc/00/56/20/562005620.db2.gz STGXTFAZBJDAPO-IKGGRYGDSA-N 1 0 365.522 2.355 20 30 FEEDRO C[NH+](C)C1CCN(C(=O)Cc2noc(/C=C\c3cccc(C#N)c3)n2)CC1 ZINC000515345647 562006120 /nfs/dbraw/zinc/00/61/20/562006120.db2.gz GYYDGIJQRZRVGG-SREVYHEPSA-N 1 0 365.437 2.207 20 30 FEEDRO C[C@H]1CN(C(=O)C2(c3ccc(C#N)cc3)CC2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000368712193 556394814 /nfs/dbraw/zinc/39/48/14/556394814.db2.gz LAYWTGCQDYERGP-FXAWDEMLSA-N 1 0 366.509 2.074 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)[C@@H]2C[C@@]23CCN(C(=O)OC(C)(C)C)C3)CC1 ZINC000368724130 556398150 /nfs/dbraw/zinc/39/81/50/556398150.db2.gz HZNUJGSCGZURHH-OXJNMPFZSA-N 1 0 363.502 2.400 20 30 FEEDRO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC[C@@H](C(=O)N2CCCCC2)C1 ZINC000368816376 556421134 /nfs/dbraw/zinc/42/11/34/556421134.db2.gz FLOHARYKOFSISL-ZWKOTPCHSA-N 1 0 374.529 2.442 20 30 FEEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000369064127 556494553 /nfs/dbraw/zinc/49/45/53/556494553.db2.gz LYTZYQVDMPERPS-OAHLLOKOSA-N 1 0 356.470 2.341 20 30 FEEDRO COc1cccc2c1CC[C@@H]2[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000516175337 562034208 /nfs/dbraw/zinc/03/42/08/562034208.db2.gz LJEVIKPSVUOVKY-INIZCTEOSA-N 1 0 357.435 2.013 20 30 FEEDRO CCN(CCC#N)C(=O)C[NH+]1CCC([C@@H]2CCCCCN2C(C)=O)CC1 ZINC000369520039 556618579 /nfs/dbraw/zinc/61/85/79/556618579.db2.gz QHEFYNNKPFVBSZ-IBGZPJMESA-N 1 0 362.518 2.252 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)[C@@H](c2ccccc2)N2CCCCC2=O)CC1 ZINC000369590258 556640669 /nfs/dbraw/zinc/64/06/69/556640669.db2.gz CZTPOTQOJPPXOQ-OAQYLSRUSA-N 1 0 367.493 2.344 20 30 FEEDRO COc1ccc(C[NH2+]CCC(=O)N2CCOc3ccccc3C2)cc1C#N ZINC000369670990 556664157 /nfs/dbraw/zinc/66/41/57/556664157.db2.gz CNWLLYVGINTWKT-UHFFFAOYSA-N 1 0 365.433 2.468 20 30 FEEDRO Cc1nc(C)n(C[C@H]2CCC[N@@H+]2CCC(=O)Nc2ccc(C#N)cc2)n1 ZINC000369784682 556693978 /nfs/dbraw/zinc/69/39/78/556693978.db2.gz PWXVFCPDLJGRDA-GOSISDBHSA-N 1 0 352.442 2.260 20 30 FEEDRO N#Cc1ccc(O[C@H]2CCN(C(=O)Nc3ccc4c(c3)C[NH2+]CC4)C2)nc1 ZINC000516632847 562051754 /nfs/dbraw/zinc/05/17/54/562051754.db2.gz MEVHBWWILCMAQW-SFHVURJKSA-N 1 0 363.421 2.284 20 30 FEEDRO CCCCCCCCNC(=[NH2+])NC[C@@H]1CC(=O)N(C)[C@H]1c1cnn(C)c1 ZINC000370220762 556814373 /nfs/dbraw/zinc/81/43/73/556814373.db2.gz GBGUGTFMMGHPIX-MAUKXSAKSA-N 1 0 362.522 2.414 20 30 FEEDRO C=CCN1CC(=O)N([C@H]2CC[N@H+](C3CC3)[C@H]2c2cccc(OC)c2)C1=O ZINC000370445430 556875558 /nfs/dbraw/zinc/87/55/58/556875558.db2.gz UUBCVVMZDZZPHI-HKUYNNGSSA-N 1 0 355.438 2.423 20 30 FEEDRO CC(C)[NH2+]CCCNC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000516854714 562060501 /nfs/dbraw/zinc/06/05/01/562060501.db2.gz GDRDRUQYDJOYFA-UHFFFAOYSA-N 1 0 356.348 2.020 20 30 FEEDRO CC(C)(Oc1ccc(C#N)cc1)C(=O)NC[C@@H]1CCC[C@@H]1[NH+]1CCOCC1 ZINC000370650269 556931354 /nfs/dbraw/zinc/93/13/54/556931354.db2.gz CLWXULNKXDTPGD-HKUYNNGSSA-N 1 0 371.481 2.333 20 30 FEEDRO N#Cc1ccccc1-c1ccc(C[NH2+]CC2(O)CCS(=O)(=O)CC2)cc1 ZINC000516922561 562064924 /nfs/dbraw/zinc/06/49/24/562064924.db2.gz IBGDGGPQOMCGOG-UHFFFAOYSA-N 1 0 370.474 2.255 20 30 FEEDRO N#C[C@H]1CN(C(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)CCN1C1CC1 ZINC000370990708 557038316 /nfs/dbraw/zinc/03/83/16/557038316.db2.gz IGVNHTFQZUOUPE-XLIONFOSSA-N 1 0 370.472 2.236 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1cccn(Cc2ccccc2)c1=O ZINC000517078595 562075024 /nfs/dbraw/zinc/07/50/24/562075024.db2.gz FNTNGRALAAYDRV-UHFFFAOYSA-N 1 0 366.465 2.204 20 30 FEEDRO C#CCOc1ccc([C@@H](C)[NH2+]C[C@]2(N3CCOCC3)CCCOC2)cc1 ZINC000371282428 557130575 /nfs/dbraw/zinc/13/05/75/557130575.db2.gz GWIZJHSUSIUOHM-WIYYLYMNSA-N 1 0 358.482 2.231 20 30 FEEDRO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000371515551 557206829 /nfs/dbraw/zinc/20/68/29/557206829.db2.gz ANIWYNMMKMZOFY-DZGCQCFKSA-N 1 0 356.401 2.193 20 30 FEEDRO COCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)C1 ZINC000517680857 562095307 /nfs/dbraw/zinc/09/53/07/562095307.db2.gz JWDFCILPWMBPJY-QGZVFWFLSA-N 1 0 366.421 2.196 20 30 FEEDRO C=CCSCCNC(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cnn(C)c1 ZINC000371739103 557279890 /nfs/dbraw/zinc/27/98/90/557279890.db2.gz JJVZIWUEYSHJKN-HOCLYGCPSA-N 1 0 351.520 2.021 20 30 FEEDRO N#CCCCOc1cccc(C[NH2+][C@H]2CCN(C3CCOCC3)C2=O)c1 ZINC000371820709 557303341 /nfs/dbraw/zinc/30/33/41/557303341.db2.gz OITBUCKWBVAUFN-IBGZPJMESA-N 1 0 357.454 2.239 20 30 FEEDRO N#CCCCOc1cccc(C[NH2+][C@@H]2CCN(C3CCOCC3)C2=O)c1 ZINC000371820710 557303419 /nfs/dbraw/zinc/30/34/19/557303419.db2.gz OITBUCKWBVAUFN-LJQANCHMSA-N 1 0 357.454 2.239 20 30 FEEDRO CCCC[C@H](ON=C(C)C)C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000371995052 557350861 /nfs/dbraw/zinc/35/08/61/557350861.db2.gz WASYRFYRRPLHJQ-QYZOEREBSA-N 1 0 366.550 2.442 20 30 FEEDRO CN(C1CCN(c2cc[nH+]cc2)CC1)S(=O)(=O)c1ccc(F)cc1C#N ZINC000372162018 557396563 /nfs/dbraw/zinc/39/65/63/557396563.db2.gz DERHJYCVJAMOGI-UHFFFAOYSA-N 1 0 374.441 2.382 20 30 FEEDRO Cc1cc(NC(=O)N(C)C[C@H]2CCC[N@H+](C)C2)nn1-c1cccc(C#N)c1 ZINC000372376101 557454252 /nfs/dbraw/zinc/45/42/52/557454252.db2.gz JWHXZYCYARIZDN-KRWDZBQOSA-N 1 0 366.469 2.858 20 30 FEEDRO Cc1cccc(S(=O)(=O)NC[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)c1C#N ZINC000372430916 557468669 /nfs/dbraw/zinc/46/86/69/557468669.db2.gz IWFYMFOGAAQQEM-LPHOPBHVSA-N 1 0 370.478 2.233 20 30 FEEDRO Cc1ccc(C#N)cc1S(=O)(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000372430824 557468823 /nfs/dbraw/zinc/46/88/23/557468823.db2.gz IAXYZPOPERFAOH-HKUYNNGSSA-N 1 0 370.478 2.233 20 30 FEEDRO C=CCN(C(=O)[C@@H]1CCCN(C(N)=O)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000372598777 557516760 /nfs/dbraw/zinc/51/67/60/557516760.db2.gz HGOMAZXDDITJJF-RTBURBONSA-N 1 0 370.497 2.066 20 30 FEEDRO CC(C)[NH+]1CCN([C@@H]2CCN(Cc3c(C#N)cccc3[N+](=O)[O-])C2)CC1 ZINC000519586742 562135854 /nfs/dbraw/zinc/13/58/54/562135854.db2.gz SRWLZGCLPTXZLR-QGZVFWFLSA-N 1 0 357.458 2.067 20 30 FEEDRO N#Cc1ccccc1Cn1cccc1CNC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000372671960 557534420 /nfs/dbraw/zinc/53/44/20/557534420.db2.gz FTOYBWKXHLVVQP-LEWJYISDSA-N 1 0 350.466 2.361 20 30 FEEDRO COc1ccc(C[C@H]2CCC[N@@H+]2CC(=O)N(CCC#N)CCC#N)cc1 ZINC000373076220 557622913 /nfs/dbraw/zinc/62/29/13/557622913.db2.gz JNXLTFVUBGHIGA-GOSISDBHSA-N 1 0 354.454 2.358 20 30 FEEDRO COc1ccc2c(c1)[C@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)CCCO2 ZINC000373142407 557637380 /nfs/dbraw/zinc/63/73/80/557637380.db2.gz YREGLSQJIRUWHW-RAJOGRCSSA-N 1 0 357.410 2.025 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2CCC[C@H]3C[NH2+]CCC[C@@H]32)cc1Cl ZINC000373548922 557716369 /nfs/dbraw/zinc/71/63/69/557716369.db2.gz PXALHVMHJMFMOH-BBRMVZONSA-N 1 0 353.875 2.364 20 30 FEEDRO CC(C)c1noc([C@@]23CCC[C@@H]2C[N@H+](CCC(=O)N(C)CCC#N)C3)n1 ZINC000373663910 557733886 /nfs/dbraw/zinc/73/38/86/557733886.db2.gz ZGAQPLLCEAKDKA-DNVCBOLYSA-N 1 0 359.474 2.309 20 30 FEEDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)[C@H]2CCC(=O)N2Cc2cccc(C#N)c2)C1 ZINC000373695837 557740632 /nfs/dbraw/zinc/74/06/32/557740632.db2.gz JYGWOEUNQLIGHA-IPMKNSEASA-N 1 0 368.481 2.038 20 30 FEEDRO C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CC(C)(C)O[C@@]2(CCCOC2)C1 ZINC000373797038 557761130 /nfs/dbraw/zinc/76/11/30/557761130.db2.gz MJFHVMDWIIBDPV-JXFKEZNVSA-N 1 0 363.502 2.378 20 30 FEEDRO C[C@@H]1CN(CC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@]2(CCCOC2)O1 ZINC000373811431 557764491 /nfs/dbraw/zinc/76/44/91/557764491.db2.gz MCZZYISQJAZFCU-ACJLOTCBSA-N 1 0 363.845 2.420 20 30 FEEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+][C@@H]2c3ccccc3CC[C@H]2CO)c1 ZINC000373817042 557765818 /nfs/dbraw/zinc/76/58/18/557765818.db2.gz WZFJCQZTOQUMFF-PXNSSMCTSA-N 1 0 370.474 2.218 20 30 FEEDRO N#Cc1ccccc1N1CCCN(C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000373932655 557790180 /nfs/dbraw/zinc/79/01/80/557790180.db2.gz IQIINQUCPJWVQQ-RBUKOAKNSA-N 1 0 367.497 2.407 20 30 FEEDRO N#Cc1ccccc1N1CCCN(C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000373932654 557790513 /nfs/dbraw/zinc/79/05/13/557790513.db2.gz IQIINQUCPJWVQQ-OALUTQOASA-N 1 0 367.497 2.407 20 30 FEEDRO Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cnn(C)c2)cc1C#N ZINC000374134868 557829644 /nfs/dbraw/zinc/82/96/44/557829644.db2.gz ATAWHGQWLQIVEH-LPHOPBHVSA-N 1 0 351.454 2.413 20 30 FEEDRO CC(C)(C)OC(=O)N1CC[C@@](C)(C[NH+]2CCC(n3cnc(C#N)n3)CC2)C1 ZINC000374224166 557846021 /nfs/dbraw/zinc/84/60/21/557846021.db2.gz HQGLVGJEPLFLDF-IBGZPJMESA-N 1 0 374.489 2.434 20 30 FEEDRO C=CCOc1ccccc1C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000374284528 557857765 /nfs/dbraw/zinc/85/77/65/557857765.db2.gz AFKOZQBQUHCSJI-HKUYNNGSSA-N 1 0 357.498 2.349 20 30 FEEDRO C[C@H]1CN(C(=O)CSc2ccc(C#N)cc2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000374322463 557865523 /nfs/dbraw/zinc/86/55/23/557865523.db2.gz DIEQMWISYKVKQX-LPHOPBHVSA-N 1 0 372.538 2.135 20 30 FEEDRO CN(CCC#N)C(=O)CC[NH+]1CCC([C@H]2c3ccccc3NC2=O)CC1 ZINC000374468617 557887967 /nfs/dbraw/zinc/88/79/67/557887967.db2.gz DRGWDKMBKFKCNM-IBGZPJMESA-N 1 0 354.454 2.196 20 30 FEEDRO N#Cc1ccc(CN2CCC([NH2+][C@H]3CC(=O)N4CCCC[C@@H]34)CC2)cc1 ZINC000374503956 557892269 /nfs/dbraw/zinc/89/22/69/557892269.db2.gz KFNZNVQOYWRSRD-PMACEKPBSA-N 1 0 352.482 2.266 20 30 FEEDRO N#CCCN(CCN1CCOCC1)C(=O)Nc1cccc2c1OCCC2 ZINC000374554684 557898870 /nfs/dbraw/zinc/89/88/70/557898870.db2.gz VDQKQJJXSYVGAM-UHFFFAOYSA-N 1 0 358.442 2.091 20 30 FEEDRO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCC[C@H](CNC(=O)c2ccco2)C1 ZINC000374553096 557898876 /nfs/dbraw/zinc/89/88/76/557898876.db2.gz VULMZVFPRLVEKH-DLBZAZTESA-N 1 0 359.470 2.311 20 30 FEEDRO C[C@H](NC(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1)C1=CC[N@H+](C)CC1 ZINC000374727540 557922099 /nfs/dbraw/zinc/92/20/99/557922099.db2.gz BQKIYAXKXNUUEA-HNAYVOBHSA-N 1 0 354.454 2.292 20 30 FEEDRO CS(=O)(=O)Nc1c[nH]nc1[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC000374823438 557936495 /nfs/dbraw/zinc/93/64/95/557936495.db2.gz UXMULSWBALEHKP-OAHLLOKOSA-N 1 0 359.455 2.032 20 30 FEEDRO C[N@@H+]1CC[C@@H]2CCN(CCC(=O)Nc3sc4c(c3C#N)CCC4)C[C@H]21 ZINC000375021478 557965659 /nfs/dbraw/zinc/96/56/59/557965659.db2.gz OUCBTEGHWWPHKJ-CZUORRHYSA-N 1 0 358.511 2.463 20 30 FEEDRO C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)Nc3ccccc3SCCC#N)C[C@H]21 ZINC000375053973 557970710 /nfs/dbraw/zinc/97/07/10/557970710.db2.gz JHMIEICGGFVPIB-GOEBONIOSA-N 1 0 372.494 2.183 20 30 FEEDRO N#CCCN(C(=O)C[NH2+][C@H]1CCC(=O)N[C@@H]1C1CC1)c1cccc(Cl)c1 ZINC000375338667 558011770 /nfs/dbraw/zinc/01/17/70/558011770.db2.gz SHGIYXUYXLSRPY-QFBILLFUSA-N 1 0 374.872 2.233 20 30 FEEDRO CC(C)[NH+]1CCN([C@H]2CCN(C(=O)/C=C/c3ccccc3C#N)C2)CC1 ZINC000375879597 558093049 /nfs/dbraw/zinc/09/30/49/558093049.db2.gz IJZACJUVSCOZFE-DUIUGDAFSA-N 1 0 352.482 2.198 20 30 FEEDRO C[NH+](C)CC1CCN(C(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)CC1 ZINC000376106994 558128011 /nfs/dbraw/zinc/12/80/11/558128011.db2.gz OFHZXPHRIZDWCT-KRWDZBQOSA-N 1 0 358.461 2.324 20 30 FEEDRO COCCNC(=O)c1c[nH]nc1[C@H]1CCC[N@H+](CC(C)(C)CCC#N)C1 ZINC000376689272 558209011 /nfs/dbraw/zinc/20/90/11/558209011.db2.gz MBBSJULYPAKGKX-HNNXBMFYSA-N 1 0 361.490 2.295 20 30 FEEDRO N#Cc1ccccc1N1CCC[C@H](NC(=O)N2CC[NH+]3CCC2CC3)C1 ZINC000376747144 558216414 /nfs/dbraw/zinc/21/64/14/558216414.db2.gz FUNLJNMPVVNTDV-KRWDZBQOSA-N 1 0 353.470 2.017 20 30 FEEDRO CC[NH+](CC)CCO[C@@H]1CCN([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000376783799 558221224 /nfs/dbraw/zinc/22/12/24/558221224.db2.gz ZKJHYPJKTRAGNU-UXHICEINSA-N 1 0 370.497 2.096 20 30 FEEDRO C[C@@H](c1ccccc1)[NH+]1CCC(NS(=O)(=O)c2cccnc2C#N)CC1 ZINC000376985623 558248369 /nfs/dbraw/zinc/24/83/69/558248369.db2.gz OHCAZLMNNLJFRO-HNNXBMFYSA-N 1 0 370.478 2.457 20 30 FEEDRO C=C(CNC(=O)N1CCC[C@@H](C[NH+]2CCN(C)CC2)C1)c1ccccc1 ZINC000377078467 558261584 /nfs/dbraw/zinc/26/15/84/558261584.db2.gz NPEALLWSTAIUQY-IBGZPJMESA-N 1 0 356.514 2.369 20 30 FEEDRO N#Cc1ccc(NC(=O)CN2[C@@H]3CCCC[C@H]3C[C@H]2C(N)=O)cc1Cl ZINC000377169070 558281038 /nfs/dbraw/zinc/28/10/38/558281038.db2.gz SZMIMFKRVGYLRV-XZJROXQQSA-N 1 0 360.845 2.269 20 30 FEEDRO C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCC[N@@H+](CCCOC)CC1 ZINC000377207493 558288504 /nfs/dbraw/zinc/28/85/04/558288504.db2.gz KSAAJAPDBDPAQL-FQEVSTJZSA-N 1 0 357.498 2.375 20 30 FEEDRO C[NH2+]C[C@H]1CCCN1C(=O)NC1CCC(Oc2ncccc2C#N)CC1 ZINC000522007618 562189048 /nfs/dbraw/zinc/18/90/48/562189048.db2.gz FVKMUDJWWWOKDA-AQFXKWCLSA-N 1 0 357.458 2.037 20 30 FEEDRO N#Cc1cccc(CC[NH2+][C@@H]2CCCc3ccc(S(N)(=O)=O)cc32)c1 ZINC000377746687 558410253 /nfs/dbraw/zinc/41/02/53/558410253.db2.gz PXFSQZLINXYGKP-LJQANCHMSA-N 1 0 355.463 2.415 20 30 FEEDRO C[C@H]1CN(C(=O)Nc2ccc(CC#N)cc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000378308722 558525584 /nfs/dbraw/zinc/52/55/84/558525584.db2.gz NRHKXJYWYDPFEN-QFBILLFUSA-N 1 0 355.486 2.242 20 30 FEEDRO N#Cc1ccc2ncc(C[NH2+][C@@H]3CC(=O)N([C@H]4C[C@@H]4c4ccccc4)C3)n2c1 ZINC000378405160 558548915 /nfs/dbraw/zinc/54/89/15/558548915.db2.gz QOLSUHBGNIEPDS-RLLQIKCJSA-N 1 0 371.444 2.453 20 30 FEEDRO C[NH+](C)C1(CNC(=O)N2CCN(c3ccccc3C#N)CC2)CCCC1 ZINC000523519147 562214544 /nfs/dbraw/zinc/21/45/44/562214544.db2.gz RYNOUWNLFIEKPD-UHFFFAOYSA-N 1 0 355.486 2.264 20 30 FEEDRO C[C@@H]1C[C@H]1N1C[C@@H]([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CC1=O ZINC000378449913 558559998 /nfs/dbraw/zinc/55/99/98/558559998.db2.gz HDSRKEPNSSMZAL-UIAACRFSSA-N 1 0 352.482 2.122 20 30 FEEDRO C[N@@H+]1CC[C@H]2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3C#N)C[C@@H]21 ZINC000378459774 558562484 /nfs/dbraw/zinc/56/24/84/558562484.db2.gz ZPPHWSBYPUINRI-FZMZJTMJSA-N 1 0 373.400 2.292 20 30 FEEDRO N#CCCN(CCC#N)C(=O)C[NH2+][C@@H](c1ccccc1)C1CCOCC1 ZINC000378464586 558563668 /nfs/dbraw/zinc/56/36/68/558563668.db2.gz CRWHDGWJASGEDD-FQEVSTJZSA-N 1 0 354.454 2.400 20 30 FEEDRO Cc1ncc(S(=O)(=O)NC(C)(C)C[N@H+](C)Cc2ccccc2)cc1C#N ZINC000379709234 558602539 /nfs/dbraw/zinc/60/25/39/558602539.db2.gz YDOLOMDOFVPMQV-UHFFFAOYSA-N 1 0 372.494 2.451 20 30 FEEDRO C[N@H+](Cc1ccccc1)C1(CNS(=O)(=O)c2ccc(C#N)nc2)CCC1 ZINC000386574284 558607229 /nfs/dbraw/zinc/60/72/29/558607229.db2.gz RNQLIQAOHNJVOT-UHFFFAOYSA-N 1 0 370.478 2.286 20 30 FEEDRO C[N@@H+]1CCO[C@@H]2CCN(c3nc4c(c(C#N)c3C#N)CCCCCC4)C[C@@H]21 ZINC000408032136 558639900 /nfs/dbraw/zinc/63/99/00/558639900.db2.gz ZYZPFAZXUKEZNC-VQTJNVASSA-N 1 0 365.481 2.393 20 30 FEEDRO CC(C)(O)C[NH+]1CCN(c2nc3c(c(C#N)c2C#N)CCCCCC3)CC1 ZINC000408330959 558667183 /nfs/dbraw/zinc/66/71/83/558667183.db2.gz OZDOYOHGMIIKOI-UHFFFAOYSA-N 1 0 367.497 2.377 20 30 FEEDRO C[C@@H](C(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)n1cnc(C#N)n1 ZINC000409452494 558693543 /nfs/dbraw/zinc/69/35/43/558693543.db2.gz INMDCGVRVRIZJM-BBRMVZONSA-N 1 0 372.860 2.317 20 30 FEEDRO C[C@@H](C(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1)n1cnc(C#N)n1 ZINC000409463030 558694508 /nfs/dbraw/zinc/69/45/08/558694508.db2.gz ISLVLHPURPEOCA-HOTGVXAUSA-N 1 0 366.469 2.259 20 30 FEEDRO CCC[C@@H]1CN(C(=O)[C@H](C)n2cnc(C#N)n2)CC[N@@H+]1Cc1ccccc1 ZINC000409901392 558726020 /nfs/dbraw/zinc/72/60/20/558726020.db2.gz NHHIZIUQVWUYCU-FUHWJXTLSA-N 1 0 366.469 2.224 20 30 FEEDRO C=C(C)CN(C)C(=O)C(=O)N(C)C[C@@H]1C[C@H](F)CN1Cc1cccs1 ZINC000410814396 558813560 /nfs/dbraw/zinc/81/35/60/558813560.db2.gz ROCZCGAVRWDYHF-GJZGRUSLSA-N 1 0 367.490 2.153 20 30 FEEDRO COC(=O)C[C@](C)([NH2+]CCC(=O)Nc1ccccc1C#N)c1ccccn1 ZINC000411562892 558918113 /nfs/dbraw/zinc/91/81/13/558918113.db2.gz PWYGDDBNRRFCAC-FQEVSTJZSA-N 1 0 366.421 2.350 20 30 FEEDRO C[N@H+](CCC(=O)Nc1ccccc1C#N)[C@@H](CC(N)=O)c1ccccc1 ZINC000411666567 558939113 /nfs/dbraw/zinc/93/91/13/558939113.db2.gz MKZMTPKUMHNMGM-SFHVURJKSA-N 1 0 350.422 2.435 20 30 FEEDRO CN(CC(=O)OC(C)(C)C)[C@@H]1C[N@H+](CCC2(C#N)CCCCC2)C[C@H]1O ZINC000411678044 558942179 /nfs/dbraw/zinc/94/21/79/558942179.db2.gz UKESFUJEMKDGQO-IAGOWNOFSA-N 1 0 365.518 2.169 20 30 FEEDRO COC(=O)[C@@H]1CCCCC[C@@H]1[NH2+][C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000411776478 558960695 /nfs/dbraw/zinc/96/06/95/558960695.db2.gz VQWBASDTXLTCBS-SQNIBIBYSA-N 1 0 355.438 2.375 20 30 FEEDRO C[NH+](C)C1(CNC(=O)NC2CCC(Oc3ncccc3C#N)CC2)CCC1 ZINC000525850858 562257440 /nfs/dbraw/zinc/25/74/40/562257440.db2.gz DINWTYXNWQNDDQ-UHFFFAOYSA-N 1 0 371.485 2.427 20 30 FEEDRO CO[C@](C)([C@H](C)[NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1)C1CC1 ZINC000411968930 558997163 /nfs/dbraw/zinc/99/71/63/558997163.db2.gz KQHFUQTWJLRROZ-VBKZILBWSA-N 1 0 367.453 2.476 20 30 FEEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH2+][C@@H](CO)[C@@H]2CCCOC2)c1 ZINC000411996673 559000666 /nfs/dbraw/zinc/00/06/66/559000666.db2.gz SLODUWGFYQFBDT-NSHGMRRFSA-N 1 0 373.497 2.316 20 30 FEEDRO C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CC[C@H](c3nnc(C)[nH]3)C2)c(OC)c1 ZINC000412028061 559003919 /nfs/dbraw/zinc/00/39/19/559003919.db2.gz MPGOSUWKLRUISX-IRXDYDNUSA-N 1 0 372.469 2.079 20 30 FEEDRO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@@H](CO)[C@@H]2C)cc1 ZINC000412095560 559013047 /nfs/dbraw/zinc/01/30/47/559013047.db2.gz XXDTVEQRNMUUFQ-IRXDYDNUSA-N 1 0 359.470 2.425 20 30 FEEDRO CCN1CC[NH+](C[C@@H](C)CNC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)CC1 ZINC000412177243 559018412 /nfs/dbraw/zinc/01/84/12/559018412.db2.gz RFFNXMWHSFNYBU-FFZOFVMBSA-N 1 0 354.498 2.052 20 30 FEEDRO C[C@H](C(=O)NC1(C#N)CCC1)[NH+]1CCC2(C[C@@H]2C(=O)N2CCCCC2)CC1 ZINC000526057922 562265453 /nfs/dbraw/zinc/26/54/53/562265453.db2.gz WLJXFBMQKDZXJI-IAGOWNOFSA-N 1 0 372.513 2.052 20 30 FEEDRO CC[NH+]1CCN([C@H]2CCN(c3cc(C(F)(F)F)cnc3C#N)C2)CC1 ZINC000413143354 559082519 /nfs/dbraw/zinc/08/25/19/559082519.db2.gz WBPIISNDUZBICG-AWEZNQCLSA-N 1 0 353.392 2.188 20 30 FEEDRO C[NH+](C)CCOc1ccccc1N1CCN(c2ncc(C#N)cc2F)CC1 ZINC000413156291 559083716 /nfs/dbraw/zinc/08/37/16/559083716.db2.gz RMQJUWKCVHSXBU-UHFFFAOYSA-N 1 0 369.444 2.359 20 30 FEEDRO C[C@@H](CC(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1)c1cnn(C)c1 ZINC000413274680 559094697 /nfs/dbraw/zinc/09/46/97/559094697.db2.gz ZUDWRBCLBYXHRR-INIZCTEOSA-N 1 0 353.470 2.376 20 30 FEEDRO C=C[C@](C)(CCOC)C(=O)NCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000413981244 559144884 /nfs/dbraw/zinc/14/48/84/559144884.db2.gz QEVRPPSWCZSERW-HXUWFJFHSA-N 1 0 360.498 2.359 20 30 FEEDRO CS(=O)(=O)CC1(C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)CCC1 ZINC000414325612 559156444 /nfs/dbraw/zinc/15/64/44/559156444.db2.gz KOJNEOFUCBKTEM-UHFFFAOYSA-N 1 0 361.511 2.332 20 30 FEEDRO CC(C)[N@H+](C)Cc1cccc(CNS(=O)(=O)c2ccc(C#N)nc2)c1 ZINC000414462821 559165743 /nfs/dbraw/zinc/16/57/43/559165743.db2.gz GBOUOKFIHSKFFJ-UHFFFAOYSA-N 1 0 358.467 2.272 20 30 FEEDRO C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H](C)CCCC[NH3+])cc1 ZINC000414902865 559194266 /nfs/dbraw/zinc/19/42/66/559194266.db2.gz YQICHHRPPIFOHG-CQSZACIVSA-N 1 0 368.503 2.132 20 30 FEEDRO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)Nc2scc(C(C)(C)C)c2C#N)C1 ZINC000415279197 559220610 /nfs/dbraw/zinc/22/06/10/559220610.db2.gz HLZDQOOGDJQZJZ-GFCCVEGCSA-N 1 0 362.499 2.314 20 30 FEEDRO C[NH2+][C@H]1CCN(C(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)C1 ZINC000415307718 559222766 /nfs/dbraw/zinc/22/27/66/559222766.db2.gz YFEAJZZIOPYUQD-INIZCTEOSA-N 1 0 364.405 2.109 20 30 FEEDRO COCC1(CNC(=O)Nc2ccc(OC(C)C)c(C#N)c2)CC[NH2+]CC1 ZINC000415308811 559222921 /nfs/dbraw/zinc/22/29/21/559222921.db2.gz PZUNMISIHJAUFR-UHFFFAOYSA-N 1 0 360.458 2.483 20 30 FEEDRO C[C@H]1C[NH2+]CCN1C(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000415344462 559225822 /nfs/dbraw/zinc/22/58/22/559225822.db2.gz NKBYYWWQULRBFR-AWEZNQCLSA-N 1 0 364.405 2.109 20 30 FEEDRO CC[NH2+]CCNC(=O)C(=O)Nc1sc2c(c1C#N)CC[C@@H](C(C)C)C2 ZINC000415372391 559228455 /nfs/dbraw/zinc/22/84/55/559228455.db2.gz UVJLZOLMXDNTJR-GFCCVEGCSA-N 1 0 362.499 2.045 20 30 FEEDRO CC1(C)C[NH2+]CC[C@H]1NC(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 ZINC000415437398 559236713 /nfs/dbraw/zinc/23/67/13/559236713.db2.gz BWUDNKGIDAYJDX-OAHLLOKOSA-N 1 0 372.860 2.907 20 30 FEEDRO CC(C)[C@@](C)(C[NH3+])NC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 ZINC000415441478 559237468 /nfs/dbraw/zinc/23/74/68/559237468.db2.gz FAMQKPCRHLAWTQ-QGZVFWFLSA-N 1 0 360.849 2.892 20 30 FEEDRO C[C@@H]1CCN(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)[C@H](C[NH3+])C1 ZINC000415465318 559240031 /nfs/dbraw/zinc/24/00/31/559240031.db2.gz SIRWJUNDWRBXOY-DOMZBBRYSA-N 1 0 372.860 2.988 20 30 FEEDRO C[C@H](CCCC[NH3+])NC(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 ZINC000415469709 559240726 /nfs/dbraw/zinc/24/07/26/559240726.db2.gz XVDLGWDXHOMFDN-GFCCVEGCSA-N 1 0 360.849 3.036 20 30 FEEDRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)Nc1cccc(C#Cc2ccccc2)c1 ZINC000415499546 559243735 /nfs/dbraw/zinc/24/37/35/559243735.db2.gz RGPZQUZAPLXHKY-HXUWFJFHSA-N 1 0 361.445 2.235 20 30 FEEDRO CC(C)[C@H]1CCc2c(C#N)c(NC(=O)C(=O)NC[C@@H](C)C[NH3+])sc2C1 ZINC000415510901 559245131 /nfs/dbraw/zinc/24/51/31/559245131.db2.gz LKWSLOUQVCCBPQ-RYUDHWBXSA-N 1 0 362.499 2.030 20 30 FEEDRO CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000415529682 559246870 /nfs/dbraw/zinc/24/68/70/559246870.db2.gz XHLKDHMCVRPFRB-INIZCTEOSA-N 1 0 371.485 2.044 20 30 FEEDRO C[C@@H]1CN(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)CC[NH2+]1 ZINC000415562672 559249952 /nfs/dbraw/zinc/24/99/52/559249952.db2.gz OWHNEFHOGMDEDU-CQSZACIVSA-N 1 0 355.442 2.095 20 30 FEEDRO N#CCCCN1c2ccc(NC(=O)N[C@@H](C[NH3+])C3CC3)cc2CCC1=O ZINC000415561412 559249958 /nfs/dbraw/zinc/24/99/58/559249958.db2.gz NCZAGHSUYYPAIE-INIZCTEOSA-N 1 0 355.442 2.128 20 30 FEEDRO C=C(C)COc1cccc(NC(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000415577656 559251833 /nfs/dbraw/zinc/25/18/33/559251833.db2.gz HSCLISPVKLXUMH-BMGDILEWSA-N 1 0 357.454 2.166 20 30 FEEDRO CC(C)(C)c1cc(NC(=O)N2CC[NH2+]CC2)n(-c2ccc(C#N)cc2)n1 ZINC000415691136 559262411 /nfs/dbraw/zinc/26/24/11/559262411.db2.gz FRPPFDZTUQNSLS-UHFFFAOYSA-N 1 0 352.442 2.479 20 30 FEEDRO O=C(Nc1cccc(C#Cc2ccccc2)c1)C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000415751095 559267711 /nfs/dbraw/zinc/26/77/11/559267711.db2.gz VOMIKCBPGXFQIX-VQTJNVASSA-N 1 0 373.456 2.093 20 30 FEEDRO CC[C@@H]([NH3+])CNC(=O)C(=O)Nc1sc2c(c1C#N)CC[C@@H](C(C)C)C2 ZINC000415777669 559270158 /nfs/dbraw/zinc/27/01/58/559270158.db2.gz DHYJPQUEEZZCQD-VXGBXAGGSA-N 1 0 362.499 2.173 20 30 FEEDRO C[C@H]1CCN(C(=O)C(=O)Nc2ccccc2SCCC#N)C[C@H]1C[NH3+] ZINC000415848005 559278160 /nfs/dbraw/zinc/27/81/60/559278160.db2.gz LJTXYOQAHXOZSJ-UONOGXRCSA-N 1 0 360.483 2.074 20 30 FEEDRO C[C@@H]1CCN(C(=O)C(=O)Nc2sc(C(C)(C)C)cc2C#N)C[C@@H]1C[NH3+] ZINC000415852299 559278715 /nfs/dbraw/zinc/27/87/15/559278715.db2.gz QMZKFVZLURTIJQ-YPMHNXCESA-N 1 0 362.499 2.299 20 30 FEEDRO C[NH2+]Cc1cccc(NC(=O)N2CCN(c3ncccc3C#N)CC2)c1 ZINC000415928000 559283206 /nfs/dbraw/zinc/28/32/06/559283206.db2.gz GOOYXMZPTBQRRG-UHFFFAOYSA-N 1 0 350.426 2.027 20 30 FEEDRO C=CCN(C(=O)N[C@H]1CC[N@@H+](CC)C1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000416735082 559330445 /nfs/dbraw/zinc/33/04/45/559330445.db2.gz PVNCRHABAGULOA-RDJZCZTQSA-N 1 0 369.473 2.015 20 30 FEEDRO C=CCc1cc(CNC(=O)N(C2CC2)[C@H]2CC[NH2+]C2)cc(OC)c1OC ZINC000417392465 559360577 /nfs/dbraw/zinc/36/05/77/559360577.db2.gz SSZANYHEDWFNAV-KRWDZBQOSA-N 1 0 359.470 2.468 20 30 FEEDRO C[C@@H]1CCN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)[C@@H](C[NH3+])C1 ZINC000417568282 559367188 /nfs/dbraw/zinc/36/71/88/559367188.db2.gz BEYOZQBODYLAGK-HYVNUMGLSA-N 1 0 373.476 2.435 20 30 FEEDRO N#Cc1ccc(N2CCC[C@@H](NC(=O)NCCC[C@@H]3CCC[NH2+]3)C2)c(F)c1 ZINC000417581901 559367771 /nfs/dbraw/zinc/36/77/71/559367771.db2.gz UICQDHBQSIZCOX-DLBZAZTESA-N 1 0 373.476 2.498 20 30 FEEDRO C[C@@H]1CN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)[C@H](C)C[NH2+]1 ZINC000417583885 559367893 /nfs/dbraw/zinc/36/78/93/559367893.db2.gz WZLHWUXACUPGGH-FMKPAKJESA-N 1 0 359.449 2.058 20 30 FEEDRO N#Cc1ccc(N2CCC[C@@H](NC(=O)NCC3([NH3+])CCCCC3)C2=O)cc1 ZINC000418014177 559386554 /nfs/dbraw/zinc/38/65/54/559386554.db2.gz UJEDNPQFMLFGLI-QGZVFWFLSA-N 1 0 369.469 2.014 20 30 FEEDRO N#CCCn1cc(C[NH2+][C@H]2CCN(CC(F)F)C2)c(-c2ccncc2)n1 ZINC000418134556 559391399 /nfs/dbraw/zinc/39/13/99/559391399.db2.gz NMUAVHSIFRPCJQ-INIZCTEOSA-N 1 0 360.412 2.288 20 30 FEEDRO COCC1(CNC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)CC[NH2+]CC1 ZINC000418627652 559408456 /nfs/dbraw/zinc/40/84/56/559408456.db2.gz BCLOKJCWQJOGBL-RTBURBONSA-N 1 0 370.497 2.484 20 30 FEEDRO N#Cc1c(F)cccc1N1CCN(C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)CC1 ZINC000418661683 559410333 /nfs/dbraw/zinc/41/03/33/559410333.db2.gz BBRMHTXGXOANIW-WKILWMFISA-N 1 0 373.476 2.294 20 30 FEEDRO N#Cc1ccccc1N1CCCN(C(=O)NC[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000418715533 559412146 /nfs/dbraw/zinc/41/21/46/559412146.db2.gz IPGFPEPJVDAURN-WMZOPIPTSA-N 1 0 355.486 2.297 20 30 FEEDRO C[C@H](NC(=O)C(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1)c1ccc(C#N)cc1 ZINC000419280557 559435095 /nfs/dbraw/zinc/43/50/95/559435095.db2.gz JJZDGOPCUNYXAQ-KFKAGJAMSA-N 1 0 368.481 2.116 20 30 FEEDRO COC1(C(F)(F)F)CCN(CC(=O)NCc2ccc(C#N)cc2)CC1 ZINC000419331755 559437572 /nfs/dbraw/zinc/43/75/72/559437572.db2.gz QUAUGMKBSGKICV-UHFFFAOYSA-N 1 0 355.360 2.218 20 30 FEEDRO C[C@@H]([NH3+])c1ccc(CNC(=O)C(=O)N[C@@H](CCC#N)c2ccccc2)cc1 ZINC000419469334 559444062 /nfs/dbraw/zinc/44/40/62/559444062.db2.gz CSCCHUYIHBBXFM-BEFAXECRSA-N 1 0 364.449 2.484 20 30 FEEDRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000419643845 559451333 /nfs/dbraw/zinc/45/13/33/559451333.db2.gz OJHLKHHHWKBWEP-HNAYVOBHSA-N 1 0 370.497 2.422 20 30 FEEDRO C=C(C)[C@@H](NC(=O)C(=O)NC[C@@]1(C)CCC[NH2+]C1)c1ccc(F)c(F)c1 ZINC000419677823 559453425 /nfs/dbraw/zinc/45/34/25/559453425.db2.gz NHFPKVXTCQVRSW-APWZRJJASA-N 1 0 365.424 2.204 20 30 FEEDRO CCC([NH3+])(CC)CNS(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000420440298 559487490 /nfs/dbraw/zinc/48/74/90/559487490.db2.gz BWLWYCZDEXLPDK-UHFFFAOYSA-N 1 0 360.277 2.117 20 30 FEEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000420108254 559473241 /nfs/dbraw/zinc/47/32/41/559473241.db2.gz UOLNCZMDAAHMAL-KRWDZBQOSA-N 1 0 369.918 2.422 20 30 FEEDRO CNC(=O)[C@@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000420967480 559515142 /nfs/dbraw/zinc/51/51/42/559515142.db2.gz ABNHQEULDAGURY-CYBMUJFWSA-N 1 0 374.510 2.285 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)Nc2c(C#N)cn(CC)c2C(=O)OCC)CC1 ZINC000421166968 559528191 /nfs/dbraw/zinc/52/81/91/559528191.db2.gz RROWSKYCIJNYQY-UHFFFAOYSA-N 1 0 373.457 2.328 20 30 FEEDRO CCOC(=O)c1c(NC(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)c(C#N)cn1CC ZINC000421166045 559528268 /nfs/dbraw/zinc/52/82/68/559528268.db2.gz OGPDZLCDISZBMC-LSDHHAIUSA-N 1 0 373.457 2.305 20 30 FEEDRO CCOC(=O)c1c(NC(=O)N(C)C[C@@H]2CCC[N@@H+]2C)c(C#N)cn1CC ZINC000421181931 559529424 /nfs/dbraw/zinc/52/94/24/559529424.db2.gz KDDCYIOFELOFFK-AWEZNQCLSA-N 1 0 361.446 2.114 20 30 FEEDRO C=C(C)CN(Cc1ccccc1)C(=O)C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000422487860 559591285 /nfs/dbraw/zinc/59/12/85/559591285.db2.gz IWCCKEIUTGXBDN-LJQANCHMSA-N 1 0 357.498 2.439 20 30 FEEDRO C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000422523947 559592817 /nfs/dbraw/zinc/59/28/17/559592817.db2.gz DVAJCFZDFCWLJV-VAMGGRTRSA-N 1 0 369.509 2.233 20 30 FEEDRO C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000422536669 559593462 /nfs/dbraw/zinc/59/34/62/559593462.db2.gz DDSLCNHCZPBYKK-BHIYHBOVSA-N 1 0 357.498 2.231 20 30 FEEDRO C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000422535737 559593523 /nfs/dbraw/zinc/59/35/23/559593523.db2.gz CFBJZMPNMADZDH-FQEVSTJZSA-N 1 0 371.525 2.480 20 30 FEEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000423022921 559615301 /nfs/dbraw/zinc/61/53/01/559615301.db2.gz IQOXKWIFGSFIPE-NWDGAFQWSA-N 1 0 355.891 2.112 20 30 FEEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000423024142 559615520 /nfs/dbraw/zinc/61/55/20/559615520.db2.gz LBQWOQWZVRDKGK-WCQYABFASA-N 1 0 355.891 2.112 20 30 FEEDRO C=C(C)CN(Cc1ccccc1)C(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000423371969 559627031 /nfs/dbraw/zinc/62/70/31/559627031.db2.gz QRDKQDMGRVENAM-FHWLQOOXSA-N 1 0 355.482 2.177 20 30 FEEDRO N#CCCC[C@H]([NH3+])C(=O)NCC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000424058375 559653026 /nfs/dbraw/zinc/65/30/26/559653026.db2.gz DEJFODLXIFMNNJ-INIZCTEOSA-N 1 0 357.454 2.407 20 30 FEEDRO CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)[C@@H]([NH3+])CCCC#N ZINC000424072234 559653668 /nfs/dbraw/zinc/65/36/68/559653668.db2.gz CWTIOKCHUFOCJN-ZDUSSCGKSA-N 1 0 357.241 2.411 20 30 FEEDRO N#CCCC[C@H]([NH3+])C(=O)N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000424098479 559654734 /nfs/dbraw/zinc/65/47/34/559654734.db2.gz CVFPZWSFGLDCNC-GJZGRUSLSA-N 1 0 366.259 2.370 20 30 FEEDRO CC(=O)Nc1ccc(Br)cc1NC(=O)[C@@H]([NH3+])CCCC#N ZINC000424114743 559655135 /nfs/dbraw/zinc/65/51/35/559655135.db2.gz SIQFUMJSKYHBSY-NSHDSACASA-N 1 0 353.220 2.367 20 30 FEEDRO C[C@@H](CNC(=O)[C@@H]([NH3+])CCCC#N)Oc1ccc(Br)cc1 ZINC000424124171 559655415 /nfs/dbraw/zinc/65/54/15/559655415.db2.gz LZOSPLQEKJJWJS-FZMZJTMJSA-N 1 0 354.248 2.354 20 30 FEEDRO C=CCn1cc(CNCc2c(Cl)cccc2N2CC[NH+](C)CC2)nn1 ZINC000424172226 559656735 /nfs/dbraw/zinc/65/67/35/559656735.db2.gz NOZXAGDVPPKSNE-UHFFFAOYSA-N 1 0 360.893 2.159 20 30 FEEDRO N#CCCC[C@@H]([NH3+])C(=O)N[C@H]1COc2cc(F)c(Br)cc21 ZINC000424181341 559656964 /nfs/dbraw/zinc/65/69/64/559656964.db2.gz CAASGDHHPSJSHH-NEPJUHHUSA-N 1 0 356.195 2.159 20 30 FEEDRO C=CCCn1cc(C(=O)Nc2cccc(N3CC[NH+](CC)CC3)c2)nn1 ZINC000424764449 559676036 /nfs/dbraw/zinc/67/60/36/559676036.db2.gz BLGQTUBWMJKTTM-UHFFFAOYSA-N 1 0 354.458 2.248 20 30 FEEDRO C=CCCn1cc(C(=O)N[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)nn1 ZINC000424778344 559676315 /nfs/dbraw/zinc/67/63/15/559676315.db2.gz DYRGJXBUKUPLHY-AEFFLSMTSA-N 1 0 353.470 2.495 20 30 FEEDRO C=CCCn1cc(C(=O)N(CC[NH+](C)C)Cc2cccc(OC)c2)nn1 ZINC000424795878 559676865 /nfs/dbraw/zinc/67/68/65/559676865.db2.gz COHRNLMEPQBJNE-UHFFFAOYSA-N 1 0 357.458 2.067 20 30 FEEDRO C=CC[N@H+](Cc1cnc(N(C)C)n1C)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000425342298 559697332 /nfs/dbraw/zinc/69/73/32/559697332.db2.gz YXLMCHSUXHGJIY-HNNXBMFYSA-N 1 0 366.473 2.211 20 30 FEEDRO C[C@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000425389833 559699597 /nfs/dbraw/zinc/69/95/97/559699597.db2.gz VGJYATHMWPZHHP-VQIMIIECSA-N 1 0 368.481 2.164 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H](C)c2ncc(C(=O)OC)s2)CC1 ZINC000425489829 559705315 /nfs/dbraw/zinc/70/53/15/559705315.db2.gz YHLUAJSWSNKKLD-GFCCVEGCSA-N 1 0 366.487 2.330 20 30 FEEDRO COCC(C)(C)[NH+]1CCN([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)CC1 ZINC000425507477 559706717 /nfs/dbraw/zinc/70/67/17/559706717.db2.gz RAFXFMITXJLMOP-CQSZACIVSA-N 1 0 362.474 2.138 20 30 FEEDRO C=CCn1cc(CNC(=O)NCC[NH+]2CCC3(CCCCC3)CC2)nn1 ZINC000425522305 559707550 /nfs/dbraw/zinc/70/75/50/559707550.db2.gz AOTYGJKVEOHZTE-UHFFFAOYSA-N 1 0 360.506 2.310 20 30 FEEDRO C=CCn1cc(CNC(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)nn1 ZINC000425566654 559709990 /nfs/dbraw/zinc/70/99/90/559709990.db2.gz QPNDXHUDSHQFBU-GOSISDBHSA-N 1 0 368.485 2.128 20 30 FEEDRO C=CCn1cc(CNC(=O)N[C@H](C)[C@H](c2ccccc2C)[NH+](C)C)nn1 ZINC000425784994 559719453 /nfs/dbraw/zinc/71/94/53/559719453.db2.gz KWGAXCNHAXATEN-CRAIPNDOSA-N 1 0 356.474 2.263 20 30 FEEDRO C[N@H+](CCc1cccc(NC(=O)C(=O)N[C@@H]2CC[C@H](C#N)C2)c1)C1CC1 ZINC000425808427 559720540 /nfs/dbraw/zinc/72/05/40/559720540.db2.gz DMARVFPUGSAMCO-DOTOQJQBSA-N 1 0 354.454 2.070 20 30 FEEDRO C=CCn1cc(CNC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)nn1 ZINC000425879484 559723816 /nfs/dbraw/zinc/72/38/16/559723816.db2.gz QWBURSFQGNZOTP-UHFFFAOYSA-N 1 0 368.485 2.270 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC(=O)N[C@H]2CCCC[C@@H]21)C(C)C ZINC000426026667 559727844 /nfs/dbraw/zinc/72/78/44/559727844.db2.gz BPTQTLKFYURONX-OKZBNKHCSA-N 1 0 362.518 2.138 20 30 FEEDRO C=C[C@H]1CCCCN1C(=O)C(=O)Nc1ccnn1C1CC[NH+](CC)CC1 ZINC000427707162 559760702 /nfs/dbraw/zinc/76/07/02/559760702.db2.gz PKORDBSTTHQSAW-HNNXBMFYSA-N 1 0 359.474 2.046 20 30 FEEDRO C[NH+](C)CCOc1ccc(CNC(=O)c2ncc(C#N)cc2Cl)cc1 ZINC000427913742 559765137 /nfs/dbraw/zinc/76/51/37/559765137.db2.gz OVVRBYWEYPVJRF-UHFFFAOYSA-N 1 0 358.829 2.477 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)NC[C@]2(CO)C[C@@H]2c2ccc(F)cc2)CC1 ZINC000428591682 559779261 /nfs/dbraw/zinc/77/92/61/559779261.db2.gz RMRYWNFPIXNQKH-QUCCMNQESA-N 1 0 361.461 2.241 20 30 FEEDRO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CC[C@](C(=O)OC)(c2ccccc2)C1 ZINC000428771195 559782984 /nfs/dbraw/zinc/78/29/84/559782984.db2.gz HMESZXYBEGVBMY-LAUBAEHRSA-N 1 0 356.466 2.392 20 30 FEEDRO Cc1cccc(C)c1OC[C@H](O)C[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000428818566 559784067 /nfs/dbraw/zinc/78/40/67/559784067.db2.gz NOUOXLAKYLSOEF-MOPGFXCFSA-N 1 0 367.449 2.463 20 30 FEEDRO N#Cc1ccccc1NC(=O)CCCC(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000432462446 559859294 /nfs/dbraw/zinc/85/92/94/559859294.db2.gz SXNYCRIHXGPLPR-ROUUACIJSA-N 1 0 354.454 2.410 20 30 FEEDRO C[NH+](C)Cc1ccc(S(=O)(=O)N(CCC#N)Cc2cccnc2)cc1 ZINC000432943655 559868361 /nfs/dbraw/zinc/86/83/61/559868361.db2.gz IYURARRVSGFYBH-UHFFFAOYSA-N 1 0 358.467 2.248 20 30 FEEDRO CC[N@H+](CCNS(=O)(=O)c1ccc(C#N)c(Br)c1)C(C)C ZINC000433348059 559877792 /nfs/dbraw/zinc/87/77/92/559877792.db2.gz RPPREVAHMOWCOR-UHFFFAOYSA-N 1 0 374.304 2.329 20 30 FEEDRO CN(CC[NH2+]Cc1ccc(C#N)cc1F)S(=O)(=O)c1ccc(F)cc1 ZINC000435746880 559929451 /nfs/dbraw/zinc/92/94/51/559929451.db2.gz BOAWYSFZVJBVTH-UHFFFAOYSA-N 1 0 365.405 2.247 20 30 FEEDRO CC(C)Oc1ccc(NC(=O)NCCC[N@H+](C)CCN(C)C)cc1C#N ZINC000436520862 559944121 /nfs/dbraw/zinc/94/41/21/559944121.db2.gz XMHJTKPESRUUJB-UHFFFAOYSA-N 1 0 361.490 2.350 20 30 FEEDRO COCCN1CCC([NH2+]C2CCC(Oc3ncccc3C#N)CC2)CC1 ZINC000437096332 559960393 /nfs/dbraw/zinc/96/03/93/559960393.db2.gz SVQNPIYSNBSDTI-UHFFFAOYSA-N 1 0 358.486 2.344 20 30 FEEDRO N#Cc1cccnc1OC1CCC([NH2+][C@H](Cc2ccccc2)C(N)=O)CC1 ZINC000438325954 559977373 /nfs/dbraw/zinc/97/73/73/559977373.db2.gz VAOVETMTBRWFCX-CTWPCTMYSA-N 1 0 364.449 2.329 20 30 FEEDRO N#Cc1cnc2c(F)c(F)c(F)cc2c1N1CCC([NH2+]CCO)CC1 ZINC000439162751 559989303 /nfs/dbraw/zinc/98/93/03/559989303.db2.gz CUPNDUNGZZTWKM-UHFFFAOYSA-N 1 0 350.344 2.074 20 30 FEEDRO COCCNC(=O)[C@H](Cc1ccccc1)[NH2+]Cc1ccc(C#N)c(OC)c1 ZINC000440640828 560015194 /nfs/dbraw/zinc/01/51/94/560015194.db2.gz XTCVBXNRMNFZKC-IBGZPJMESA-N 1 0 367.449 2.030 20 30 FEEDRO COc1ccc([C@H](C[NH2+][C@H]2CC[C@H](C#N)C2)N2CCOCC2)cc1OC ZINC000442658757 560054485 /nfs/dbraw/zinc/05/44/85/560054485.db2.gz XFCRMNGGLNBCLK-SZMVWBNQSA-N 1 0 359.470 2.359 20 30 FEEDRO N#C[C@@H]1CCC[C@H]([NH2+]CCNS(=O)(=O)c2ccc(Cl)cc2F)C1 ZINC000442874203 560060428 /nfs/dbraw/zinc/06/04/28/560060428.db2.gz MCJCOCRLGINIQU-YPMHNXCESA-N 1 0 359.854 2.429 20 30 FEEDRO CC(C)[N@@H+](CC(=O)NC1(C#N)CCCCC1)C[C@H](O)COc1ccccc1 ZINC000444806706 560121499 /nfs/dbraw/zinc/12/14/99/560121499.db2.gz WRXDSRPMPFYBSQ-SFHVURJKSA-N 1 0 373.497 2.479 20 30 FEEDRO C[N@H+](CCNC(=O)NC1CCC(Oc2ncccc2C#N)CC1)C1CC1 ZINC000446634348 560148844 /nfs/dbraw/zinc/14/88/44/560148844.db2.gz LHZGIFIUPGFIPA-UHFFFAOYSA-N 1 0 357.458 2.037 20 30 FEEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1ncnn1CC ZINC000447311736 560160109 /nfs/dbraw/zinc/16/01/09/560160109.db2.gz IINSCKJBTBIXFJ-UHFFFAOYSA-N 1 0 361.519 2.396 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)NCCC[N@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000448677063 560193664 /nfs/dbraw/zinc/19/36/64/560193664.db2.gz KZHMCXGXYOYBOI-AQNXPRMDSA-N 1 0 357.498 2.073 20 30 FEEDRO Cc1c(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)nn2c1OCCC2 ZINC000448817974 560200826 /nfs/dbraw/zinc/20/08/26/560200826.db2.gz ZQJKHDOBDIUYJX-UHFFFAOYSA-N 1 0 367.453 2.050 20 30 FEEDRO COc1ccc(C[N@@H+]2CCCN(C(=O)Cc3ccc(C#N)nc3)CC2)cc1 ZINC000527794971 562304220 /nfs/dbraw/zinc/30/42/20/562304220.db2.gz KVZLZZIQXLOFSX-UHFFFAOYSA-N 1 0 364.449 2.239 20 30 FEEDRO C=CCOc1ccc(CC(=O)N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)cc1 ZINC000448933683 560207574 /nfs/dbraw/zinc/20/75/74/560207574.db2.gz RTGLYLWCDNPZOD-HXUWFJFHSA-N 1 0 371.525 2.422 20 30 FEEDRO N#Cc1ccc(OCC(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)cc1Br ZINC000449807175 560240735 /nfs/dbraw/zinc/24/07/35/560240735.db2.gz UYJYWQKZKGFNNF-GFCCVEGCSA-N 1 0 364.243 2.052 20 30 FEEDRO C[C@@H](Oc1ccccn1)C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000449809573 560240801 /nfs/dbraw/zinc/24/08/01/560240801.db2.gz HMYCXAIBMZMQFA-MRXNPFEDSA-N 1 0 352.438 2.311 20 30 FEEDRO CCC[NH+]1CCN(C(=O)COc2cccc(Br)c2C#N)CC1 ZINC000449828737 560241616 /nfs/dbraw/zinc/24/16/16/560241616.db2.gz XTEYQWUYVRBLKC-UHFFFAOYSA-N 1 0 366.259 2.254 20 30 FEEDRO COCCC[N@H+](C)CCNC(=O)c1cccc(C#N)c1Br ZINC000449944567 560246056 /nfs/dbraw/zinc/24/60/56/560246056.db2.gz JKBQHRPPTHVTAI-UHFFFAOYSA-N 1 0 354.248 2.019 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N(C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000450062871 560249654 /nfs/dbraw/zinc/24/96/54/560249654.db2.gz WEQJSHANHGOJQM-UXHICEINSA-N 1 0 363.546 2.232 20 30 FEEDRO C[C@@H]1C[N@@H+](C)C[C@H](C)N1C(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 ZINC000450241786 560255500 /nfs/dbraw/zinc/25/55/00/560255500.db2.gz MTJNBDUDTDNKSZ-GUTXKFCHSA-N 1 0 374.872 2.116 20 30 FEEDRO C[C@H]1C[NH+](C)C[C@H](C)N1C(=O)COc1ccc(C#N)c(Br)c1 ZINC000450245531 560255561 /nfs/dbraw/zinc/25/55/61/560255561.db2.gz YJLCRBZXAQCODL-RYUDHWBXSA-N 1 0 366.259 2.251 20 30 FEEDRO N#Cc1cnc(N2CCC([NH2+]CCOc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000450342364 560259191 /nfs/dbraw/zinc/25/91/91/560259191.db2.gz RYLVCMVNIBPCBF-UHFFFAOYSA-N 1 0 367.409 2.499 20 30 FEEDRO N#CCC1(CS(=O)(=O)NC2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000451046684 560284493 /nfs/dbraw/zinc/28/44/93/560284493.db2.gz PVDKBSGXGRGHPK-UHFFFAOYSA-N 1 0 361.511 2.307 20 30 FEEDRO Cc1cc([C@@H](C)[NH2+]CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)ccc1F ZINC000451164644 560290781 /nfs/dbraw/zinc/29/07/81/560290781.db2.gz STKIGAWQLFGWTP-APWZRJJASA-N 1 0 360.477 2.477 20 30 FEEDRO N#CCCn1cc(C[NH2+]CCN2C[C@H]3CC[C@@H](C2)O3)c(-c2ccccc2)n1 ZINC000451223691 560294187 /nfs/dbraw/zinc/29/41/87/560294187.db2.gz VZUYSVSYIYTAJL-BGYRXZFFSA-N 1 0 365.481 2.417 20 30 FEEDRO CN(CC1CCN(c2cc[nH+]cc2)CC1)S(=O)(=O)CC(C)(C)CC#N ZINC000451366143 560302869 /nfs/dbraw/zinc/30/28/69/560302869.db2.gz XZBPSMQJHCYIRZ-UHFFFAOYSA-N 1 0 364.515 2.499 20 30 FEEDRO C=CCNC(=O)NC(=O)C[NH2+][C@@H](CCOC)c1cccc(C(F)(F)F)c1 ZINC000451687042 560321919 /nfs/dbraw/zinc/32/19/19/560321919.db2.gz AVDUVPPPNHQRNR-AWEZNQCLSA-N 1 0 373.375 2.384 20 30 FEEDRO COCC[NH+](CCOC)C1CCN(C(=O)[C@]2(C#N)CC23CCCC3)CC1 ZINC000451717902 560324438 /nfs/dbraw/zinc/32/44/38/560324438.db2.gz ZSWFGUADQUJTQD-HXUWFJFHSA-N 1 0 363.502 2.046 20 30 FEEDRO C=CCn1c(C(=O)NC(CC)CC)nnc1N(C)[C@H]1CC[N@@H+](C(C)C)C1 ZINC000453449485 560386894 /nfs/dbraw/zinc/38/68/94/560386894.db2.gz QBJOBDYJGHAYFI-INIZCTEOSA-N 1 0 362.522 2.301 20 30 FEEDRO C=C(C)Cn1c(-c2nnn(C)c2C)nnc1N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000453454608 560387052 /nfs/dbraw/zinc/38/70/52/560387052.db2.gz CHJSKOWCXCLXRV-INIZCTEOSA-N 1 0 372.521 2.126 20 30 FEEDRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)C(=O)NCc3cccc(C#N)c3)ccc21 ZINC000453570447 560388960 /nfs/dbraw/zinc/38/89/60/560388960.db2.gz KPWSHXOMSGUOQS-LJQANCHMSA-N 1 0 362.433 2.362 20 30 FEEDRO C[C@H](CNC(=O)C(=O)Nc1ccc(CC#N)cc1Cl)C[NH+]1CCCC1 ZINC000453619982 560391611 /nfs/dbraw/zinc/39/16/11/560391611.db2.gz WSCGEQQAJNVEAD-CYBMUJFWSA-N 1 0 362.861 2.193 20 30 FEEDRO C[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)CC[N@@H+]1C ZINC000453666047 560394926 /nfs/dbraw/zinc/39/49/26/560394926.db2.gz WBQBKQTZPVOVHB-CZUORRHYSA-N 1 0 372.469 2.273 20 30 FEEDRO CC#CCNC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000454733749 560456072 /nfs/dbraw/zinc/45/60/72/560456072.db2.gz LAORTYYHZKUSIV-IBGZPJMESA-N 1 0 355.482 2.238 20 30 FEEDRO N#Cc1cccc(N2CCN(C(=O)NCCCCC[NH+]3CCCC3)CC2)n1 ZINC000455037900 560468109 /nfs/dbraw/zinc/46/81/09/560468109.db2.gz SKZDGTSYPYCLFV-UHFFFAOYSA-N 1 0 370.501 2.051 20 30 FEEDRO C[C@@H]1CN(C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)C[C@H](C)[N@H+]1C ZINC000455105822 560470300 /nfs/dbraw/zinc/47/03/00/560470300.db2.gz LMEZBVFEPMOYPT-BETUJISGSA-N 1 0 372.860 2.954 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1NC(=O)N1C[C@@H]2[C@H](C1)OCCN2Cc1ccccc1 ZINC000455419387 560481562 /nfs/dbraw/zinc/48/15/62/560481562.db2.gz KEQCBAQCKIJZBX-ZRNYENFQSA-N 1 0 371.481 2.015 20 30 FEEDRO CN(CCCN1CC[NH+](C)CC1)C(=O)C(C)(C)Cc1ccc(C#N)cc1 ZINC000455591475 560488431 /nfs/dbraw/zinc/48/84/31/560488431.db2.gz UHKIGRQVZDDJET-UHFFFAOYSA-N 1 0 356.514 2.223 20 30 FEEDRO CC[NH+]1CCN([C@@H](C)CNC(=O)C(C)(C)Cc2ccc(C#N)cc2)CC1 ZINC000455632603 560489964 /nfs/dbraw/zinc/48/99/64/560489964.db2.gz BODJCBKVCUOXCA-KRWDZBQOSA-N 1 0 356.514 2.269 20 30 FEEDRO COCCC[NH+]1CCC(NC(=O)Nc2cnc(C#N)c(Cl)c2)CC1 ZINC000455802157 560495139 /nfs/dbraw/zinc/49/51/39/560495139.db2.gz ZRFNFBCVXUAHJF-UHFFFAOYSA-N 1 0 351.838 2.229 20 30 FEEDRO Cc1cc(C#N)cc(NC(=O)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C)c1 ZINC000455957511 560502053 /nfs/dbraw/zinc/50/20/53/560502053.db2.gz QNTJLHOKRJUXOS-KRWDZBQOSA-N 1 0 359.474 2.081 20 30 FEEDRO CC[NH+]1CCN(CC(C)(C)NC(=O)c2cccc(SCC#N)c2)CC1 ZINC000456908241 560537238 /nfs/dbraw/zinc/53/72/38/560537238.db2.gz XGDDYSPSMUAJEQ-UHFFFAOYSA-N 1 0 360.527 2.448 20 30 FEEDRO Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)NCCCC[N@@H+](C)C3CC3)C2)n1 ZINC000457197774 560555441 /nfs/dbraw/zinc/55/54/41/560555441.db2.gz JODMCYFGIWKWIY-GOSISDBHSA-N 1 0 369.513 2.469 20 30 FEEDRO C[NH+]1CCN(Cc2ccc(CNC(=O)NCC(C)(C)CC#N)cc2)CC1 ZINC000457644185 560579520 /nfs/dbraw/zinc/57/95/20/560579520.db2.gz GTVPPZPZBWSYMF-UHFFFAOYSA-N 1 0 357.502 2.173 20 30 FEEDRO COCC[N@H+](C)CCCC1CCN(C(=O)c2cc(C)c(C#N)cn2)CC1 ZINC000457694831 560582239 /nfs/dbraw/zinc/58/22/39/560582239.db2.gz RXEGUAKIOYMHHZ-UHFFFAOYSA-N 1 0 358.486 2.472 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)NC[C@H](CO)c2ccc(OC)cc2)CC1 ZINC000458329570 560615140 /nfs/dbraw/zinc/61/51/40/560615140.db2.gz YPKJIQDVYOOXGI-QGZVFWFLSA-N 1 0 361.486 2.111 20 30 FEEDRO C=CC[C@@H](CO)CNC(=O)NC[C@H](c1ccc(SC)cc1)[NH+](C)C ZINC000458878922 560653703 /nfs/dbraw/zinc/65/37/03/560653703.db2.gz BULUXJIBPGSLNL-RHSMWYFYSA-N 1 0 351.516 2.495 20 30 FEEDRO CCOCC[N@@H+]1CCN(C(=O)NCc2ccc(C#N)c(F)c2)C[C@@H]1CC ZINC000459113114 560667522 /nfs/dbraw/zinc/66/75/22/560667522.db2.gz HQKVIWHZRUOLCI-KRWDZBQOSA-N 1 0 362.449 2.340 20 30 FEEDRO CCCN(CCN1CC[NH+](CC)CC1)C(=O)NCCc1cccc(C#N)c1 ZINC000460770222 560751533 /nfs/dbraw/zinc/75/15/33/560751533.db2.gz QDCQOEFXPBPMRF-UHFFFAOYSA-N 1 0 371.529 2.160 20 30 FEEDRO CCC[N@H+](CC)C[C@H](C)NC(=O)C1CCN(c2oc(C)nc2C#N)CC1 ZINC000461640362 560778620 /nfs/dbraw/zinc/77/86/20/560778620.db2.gz DFMBEUIFYFTVID-AWEZNQCLSA-N 1 0 361.490 2.308 20 30 FEEDRO COC(=O)C1CC[NH+](CCCNC(=O)[C@H](C)c2cccc(C#N)c2)CC1 ZINC000461903716 560787291 /nfs/dbraw/zinc/78/72/91/560787291.db2.gz QBZJRXXITRJXJG-OAHLLOKOSA-N 1 0 357.454 2.053 20 30 FEEDRO N#C[C@@H]1CCC[C@@H]1NC(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000461957859 560789740 /nfs/dbraw/zinc/78/97/40/560789740.db2.gz LLCJFWBOONDNTH-PMACEKPBSA-N 1 0 369.513 2.186 20 30 FEEDRO COc1cc(C#N)ccc1S(=O)(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000463665066 560820768 /nfs/dbraw/zinc/82/07/68/560820768.db2.gz LWWFMDYDGNMDFJ-UHFFFAOYSA-N 1 0 363.483 2.206 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N(C)Cc2nc([C@H](C)OCC)no2)CC1 ZINC000465860181 560874241 /nfs/dbraw/zinc/87/42/41/560874241.db2.gz NARQSBWEABTCFV-AWEZNQCLSA-N 1 0 365.478 2.349 20 30 FEEDRO C[NH+](C)CCc1ccc(CNS(=O)(=O)c2ccc(F)cc2C#N)cc1 ZINC000466830443 560896654 /nfs/dbraw/zinc/89/66/54/560896654.db2.gz FLYSEHRQEMSYTA-UHFFFAOYSA-N 1 0 361.442 2.280 20 30 FEEDRO C[NH+](C)CC[C@@](C)(O)CNC(=O)c1occc1COc1cccc(C#N)c1 ZINC000473276189 561046196 /nfs/dbraw/zinc/04/61/96/561046196.db2.gz SWPQATOXNSVOBJ-HXUWFJFHSA-N 1 0 371.437 2.163 20 30 FEEDRO Cc1ccccc1[C@@H]([C@H](C)NS(=O)(=O)c1ccc(C#N)nc1)[NH+](C)C ZINC000473937078 561061141 /nfs/dbraw/zinc/06/11/41/561061141.db2.gz OUOBHFWPGBIFMU-KBXCAEBGSA-N 1 0 358.467 2.231 20 30 FEEDRO CC[NH+](CC)C[C@H]1CCCC[C@@H]1NC(=O)CNC(=O)c1ccc(C#N)cc1 ZINC000474473632 561074942 /nfs/dbraw/zinc/07/49/42/561074942.db2.gz FMIIXGYKXJXTHH-MOPGFXCFSA-N 1 0 370.497 2.305 20 30 FEEDRO Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)c1cnn(C)c1C#N ZINC000475462823 561098006 /nfs/dbraw/zinc/09/80/06/561098006.db2.gz URTLGYFWRIZDMV-UHFFFAOYSA-N 1 0 355.467 2.401 20 30 FEEDRO CN(C)CC[NH+]1CCC(CNC(=O)C[C@H](CC#N)c2ccccc2)CC1 ZINC000476029729 561109807 /nfs/dbraw/zinc/10/98/07/561109807.db2.gz GUVSXEUTCGDEIO-FQEVSTJZSA-N 1 0 356.514 2.464 20 30 FEEDRO C=CCn1c(-c2cccnc2)nnc1N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000528295577 562321404 /nfs/dbraw/zinc/32/14/04/562321404.db2.gz IAFWYYGQMQQXML-UHFFFAOYSA-N 1 0 368.485 2.217 20 30 FEEDRO C=CCn1c(-c2ccoc2)nnc1N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000528301581 562321746 /nfs/dbraw/zinc/32/17/46/562321746.db2.gz YJSUKFXPWQVKMH-UHFFFAOYSA-N 1 0 357.458 2.415 20 30 FEEDRO N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H](OCC(F)(F)F)C1 ZINC000528386821 562326234 /nfs/dbraw/zinc/32/62/34/562326234.db2.gz JSUZIJVAJGMGMI-HUUCEWRRSA-N 1 0 358.360 2.341 20 30 FEEDRO CO[C@H](Cc1ccc(F)cc1)C[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000528449525 562330039 /nfs/dbraw/zinc/33/00/39/562330039.db2.gz MHORVEQOHBBIBG-LJQANCHMSA-N 1 0 354.429 2.472 20 30 FEEDRO N#CC1(C[C@@H](O)C[N@@H+]2CC[C@H](Oc3cccnc3N3CCCC3)C2)CC1 ZINC000528502653 562332864 /nfs/dbraw/zinc/33/28/64/562332864.db2.gz JZSHEZPMCWWQLS-SJORKVTESA-N 1 0 356.470 2.190 20 30 FEEDRO C[C@H](O)C[C@H]1CCCCC[N@@H+]1CC#CCN1C(=O)c2ccccc2C1=O ZINC000528504057 562332930 /nfs/dbraw/zinc/33/29/30/562332930.db2.gz GNJMKTBULBMAQQ-DLBZAZTESA-N 1 0 354.450 2.302 20 30 FEEDRO Cc1ccnc([C@@H]2CC[N@H+](CC#CCN3C(=O)c4ccccc4C3=O)C2)c1 ZINC000528515846 562333376 /nfs/dbraw/zinc/33/33/76/562333376.db2.gz BDFMJBXMENKMIF-QGZVFWFLSA-N 1 0 359.429 2.479 20 30 FEEDRO N#Cc1cc(NC(=O)NC[C@H]2COCC[NH2+]2)ccc1Oc1ccccc1 ZINC000528688056 562342076 /nfs/dbraw/zinc/34/20/76/562342076.db2.gz LPBSRLJAMLSRIN-INIZCTEOSA-N 1 0 352.394 2.460 20 30 FEEDRO C=CCOc1ccc(Br)cc1NC(=O)NC[C@H]1COCC[NH2+]1 ZINC000528698202 562342657 /nfs/dbraw/zinc/34/26/57/562342657.db2.gz XXXIDYUYVFKPOP-LBPRGKRZSA-N 1 0 370.247 2.124 20 30 FEEDRO C=CCOc1ccc(Br)cc1NC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000528698201 562342659 /nfs/dbraw/zinc/34/26/59/562342659.db2.gz XXXIDYUYVFKPOP-GFCCVEGCSA-N 1 0 370.247 2.124 20 30 FEEDRO COc1ccc([C@@H]([NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)C2CC2)cn1 ZINC000528846772 562350289 /nfs/dbraw/zinc/35/02/89/562350289.db2.gz KMZOOSVFVVTVFD-IBGZPJMESA-N 1 0 371.462 2.476 20 30 FEEDRO CC1([NH+]2CCOCC2)CCN(C(=O)c2cc3ccccc3n2CC#N)CC1 ZINC000529912689 562391087 /nfs/dbraw/zinc/39/10/87/562391087.db2.gz CCZAMZWDTCPEIG-UHFFFAOYSA-N 1 0 366.465 2.492 20 30 FEEDRO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CC[C@@H](Cc2cnn(C)c2)C1 ZINC000530627742 562418373 /nfs/dbraw/zinc/41/83/73/562418373.db2.gz SDZHSYXJHCJCLP-PXNSSMCTSA-N 1 0 355.482 2.453 20 30 FEEDRO C[C@H]1CC[N@H+](CCNC(=O)C(=O)Nc2ccccc2SCCC#N)C1 ZINC000531044498 562432789 /nfs/dbraw/zinc/43/27/89/562432789.db2.gz VZPCFZPTKAALHS-AWEZNQCLSA-N 1 0 360.483 2.089 20 30 FEEDRO N#Cc1csc(C[NH2+]C[C@@H](O)COc2ccc3c(c2)CCC(=O)N3)c1 ZINC000531117500 562435257 /nfs/dbraw/zinc/43/52/57/562435257.db2.gz VPGODOURGZTNLR-CQSZACIVSA-N 1 0 357.435 2.034 20 30 FEEDRO COc1ccc(-c2cncc(C(=O)NC3(C#N)CC[NH+](C)CC3)c2)cc1 ZINC000531557428 562449896 /nfs/dbraw/zinc/44/98/96/562449896.db2.gz QUYBSARLGAVTEZ-UHFFFAOYSA-N 1 0 350.422 2.475 20 30 FEEDRO CCN(C[C@@H](C)C#N)C(=O)CN1CCC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC000531614813 562451685 /nfs/dbraw/zinc/45/16/85/562451685.db2.gz ITPKCMVRODKUSU-HOTGVXAUSA-N 1 0 351.491 2.438 20 30 FEEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH2+]C1(CO)CCOCC1 ZINC000532963576 562493948 /nfs/dbraw/zinc/49/39/48/562493948.db2.gz CETGLWPUKCOBBL-CQSZACIVSA-N 1 0 363.483 2.150 20 30 FEEDRO C=C(C)[C@H](CC(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1)OCC ZINC000535917158 562570842 /nfs/dbraw/zinc/57/08/42/562570842.db2.gz DFWACUIIPCOXBF-OTWHNJEPSA-N 1 0 351.535 2.375 20 30 FEEDRO CN(CCC(=O)N1CCN([C@@H](C#N)c2ccccc2)CC1)c1cc[nH+]cc1 ZINC000540928850 562597392 /nfs/dbraw/zinc/59/73/92/562597392.db2.gz BUGGVQGYNYJVSG-FQEVSTJZSA-N 1 0 363.465 2.317 20 30 FEEDRO N#CCC1CC[NH+](CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CC1 ZINC000541021733 562600655 /nfs/dbraw/zinc/60/06/55/562600655.db2.gz REUROADOZUMXLG-QGZVFWFLSA-N 1 0 371.510 2.083 20 30 FEEDRO COc1cc(C#N)ccc1NC(=O)C(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000546002796 562632415 /nfs/dbraw/zinc/63/24/15/562632415.db2.gz PJVRIRKKAFZQGR-UHFFFAOYSA-N 1 0 372.469 2.134 20 30 FEEDRO C=C(C)C[C@@H](NC(=O)c1ccc2[nH]c3c(c2c1)CN(C)CC3)C(=O)OC ZINC000601781791 567839969 /nfs/dbraw/zinc/83/99/69/567839969.db2.gz LQSBPSSICAXJCK-GOSISDBHSA-N 1 0 355.438 2.393 20 30 FEEDRO C[NH+]1CCN(c2ccnc(NC(=O)[C@@H](C#N)Cc3ccc(C#N)cc3)c2)CC1 ZINC000601807566 567852045 /nfs/dbraw/zinc/85/20/45/567852045.db2.gz SXMMTEZJKBIUPE-GOSISDBHSA-N 1 0 374.448 2.026 20 30 FEEDRO C[C@@H](Nc1cnn(C2CC[NH+](C)CC2)c1)C(=O)NC1(C#N)CCCCC1 ZINC000601937153 567880821 /nfs/dbraw/zinc/88/08/21/567880821.db2.gz VIFZYLFIBFVLRF-OAHLLOKOSA-N 1 0 358.490 2.293 20 30 FEEDRO CN(C(=O)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1)[C@H]1CCC[C@H]1C#N ZINC000602075732 567917126 /nfs/dbraw/zinc/91/71/26/567917126.db2.gz LOIIBWGLOTWHQQ-HKUYNNGSSA-N 1 0 368.481 2.414 20 30 FEEDRO C[N@@H+]1CC[C@@H](CC(=O)N2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)C1 ZINC000602144876 567936385 /nfs/dbraw/zinc/93/63/85/567936385.db2.gz QLYTXLSSJSQKKE-MAUKXSAKSA-N 1 0 360.889 2.391 20 30 FEEDRO N#C[C@H]1CC[C@@H](NC(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@@]23CCOC3)C1 ZINC000602166863 567946558 /nfs/dbraw/zinc/94/65/58/567946558.db2.gz LDUOKQHKGYSDMO-QEUVDIPISA-N 1 0 353.466 2.334 20 30 FEEDRO COc1cc(C[NH2+][C@@H]2CCc3ccc(C#N)cc32)ccc1OCC(N)=O ZINC000568334124 568025992 /nfs/dbraw/zinc/02/59/92/568025992.db2.gz POMARACQWCDCGM-QGZVFWFLSA-N 1 0 351.406 2.208 20 30 FEEDRO CN(C)Cc1cccc(C[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)c1 ZINC000568382296 568035470 /nfs/dbraw/zinc/03/54/70/568035470.db2.gz XBNCLNBXNBLPLU-UHFFFAOYSA-N 1 0 357.479 2.183 20 30 FEEDRO CN(CC(=O)NCC1(c2ccccc2)CCOCC1)[C@@H]1CCC[C@@H]1C#N ZINC000602975424 568035895 /nfs/dbraw/zinc/03/58/95/568035895.db2.gz ASVPGJIRQZHVMQ-IEBWSBKVSA-N 1 0 355.482 2.475 20 30 FEEDRO CC[NH2+]Cc1cn(CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)nn1 ZINC000603189183 568071829 /nfs/dbraw/zinc/07/18/29/568071829.db2.gz JMBRLWQRZQXYLY-UHFFFAOYSA-N 1 0 360.849 2.296 20 30 FEEDRO C[NH2+][C@H](C)c1cn([C@H](C)C(=O)N(CCC#N)c2ccccc2OC)nn1 ZINC000603198416 568072894 /nfs/dbraw/zinc/07/28/94/568072894.db2.gz PVQANQKSWZVNFR-ZIAGYGMSSA-N 1 0 356.430 2.075 20 30 FEEDRO N#CC1(CCCn2cc(COc3ccccc3C[NH3+])nn2)CCOCC1 ZINC000603232767 568075614 /nfs/dbraw/zinc/07/56/14/568075614.db2.gz IRSFDSSWRHVNPK-UHFFFAOYSA-N 1 0 355.442 2.416 20 30 FEEDRO C[NH2+][C@H](C)c1cn(CC(=O)Nc2ccccc2SC[C@@H](C)C#N)nn1 ZINC000603214774 568076597 /nfs/dbraw/zinc/07/65/97/568076597.db2.gz DJKFEEQVAWWGAM-QWHCGFSZSA-N 1 0 358.471 2.449 20 30 FEEDRO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH+]1C[C@@H]2CN(c3ccccc3)C[C@H]2C1 ZINC000603864364 568161415 /nfs/dbraw/zinc/16/14/15/568161415.db2.gz BKTSHOCYXRZYHN-NEYJZJCJSA-N 1 0 354.498 2.498 20 30 FEEDRO CC(C)[C@H](C#N)N1CCN(CC(=O)N(Cc2ccccc2)C2CC2)CC1 ZINC000609486120 568346228 /nfs/dbraw/zinc/34/62/28/568346228.db2.gz DHAKYWABGBVLFY-FQEVSTJZSA-N 1 0 354.498 2.343 20 30 FEEDRO N#Cc1cc(N2CCCN(Cc3cn4cc(Cl)ccc4n3)CC2)ncn1 ZINC000569301929 568346620 /nfs/dbraw/zinc/34/66/20/568346620.db2.gz WSYSLGMHULKLGW-UHFFFAOYSA-N 1 0 367.844 2.362 20 30 FEEDRO CN(CC[NH2+]C[C@H](O)COc1ccc(C#N)cc1)Cc1ccc(F)cc1 ZINC000569568149 568408097 /nfs/dbraw/zinc/40/80/97/568408097.db2.gz FVENKAMFZZUNFP-IBGZPJMESA-N 1 0 357.429 2.159 20 30 FEEDRO CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3cccc(C#N)c3)C2)CC1 ZINC000569810404 568426707 /nfs/dbraw/zinc/42/67/07/568426707.db2.gz YBAWKWATROFJPY-QHAWAJNXSA-N 1 0 366.509 2.289 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H](C)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000735399221 598370652 /nfs/dbraw/zinc/37/06/52/598370652.db2.gz QPNLIERFMAPIIX-CQSZACIVSA-N 1 0 369.473 2.267 20 30 FEEDRO CC(C)CC[N@H+](CCC#N)CCC(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000820076665 599639803 /nfs/dbraw/zinc/63/98/03/599639803.db2.gz QOJYFMZNMATVPO-UHFFFAOYSA-N 1 0 355.446 2.457 20 30 FEEDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000557853556 674471411 /nfs/dbraw/zinc/47/14/11/674471411.db2.gz AKWDAKMMWSOZJA-BLLLJJGKSA-N 1 0 353.875 2.459 20 30 FEEDRO CCCC[N@H+](C)C[C@H](C)NC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000558241796 674489305 /nfs/dbraw/zinc/48/93/05/674489305.db2.gz MHIPFHMTMWNWRA-LBPRGKRZSA-N 1 0 350.850 2.387 20 30 FEEDRO N#Cc1cncc(S(=O)(=O)NC2CC[NH+](CC3CCCCC3)CC2)c1 ZINC000810043690 674526813 /nfs/dbraw/zinc/52/68/13/674526813.db2.gz CIEDNZHBQFWUNT-UHFFFAOYSA-N 1 0 362.499 2.276 20 30 FEEDRO Cc1nsc(N2CC[NH+](CC3CCC4(CC3)OCCO4)CC2)c1C#N ZINC000810063511 674528489 /nfs/dbraw/zinc/52/84/89/674528489.db2.gz YCXAMUVQEQMWIX-UHFFFAOYSA-N 1 0 362.499 2.379 20 30 FEEDRO C#CCSCC[NH2+]Cc1cn(-c2ccccc2Br)nn1 ZINC000810145942 674534749 /nfs/dbraw/zinc/53/47/49/674534749.db2.gz JTAVYVIJGXXTDJ-UHFFFAOYSA-N 1 0 351.273 2.486 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)c1cccc(F)c1C#N ZINC000821586195 607114130 /nfs/dbraw/zinc/11/41/30/607114130.db2.gz NKKUXJFHAKZTKT-UHFFFAOYSA-N 1 0 365.416 2.446 20 30 FEEDRO Cc1ccnc(N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1-c1nn[nH]n1 ZINC000826309465 609575497 /nfs/dbraw/zinc/57/54/97/609575497.db2.gz QAHMZASIOIPPSC-UHFFFAOYSA-N 1 0 362.441 2.010 20 30 FEEDRO N#Cc1cc(NC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)ccc1OCC(F)(F)F ZINC000563431902 674886685 /nfs/dbraw/zinc/88/66/85/674886685.db2.gz CHHCLAPNZPDTNE-MFKMUULPSA-N 1 0 354.332 2.325 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3nc(C)cs3)C[C@@H]2C1 ZINC001048827067 675015969 /nfs/dbraw/zinc/01/59/69/675015969.db2.gz VHTARTGQRGSOIC-TWMKSMIVSA-N 1 0 361.511 2.323 20 30 FEEDRO COCCNC(=S)C(C(=O)c1ccc(F)c(F)c1)[n+]1ccccc1 ZINC000022793051 670043745 /nfs/dbraw/zinc/04/37/45/670043745.db2.gz VWXHAFZWGASDBO-UHFFFAOYSA-O 1 0 351.398 2.427 20 30 FEEDRO C#CC[C@@]1(C(=O)NC[C@@H](C)C[NH+](C)C)CCCN1C(=O)OC(C)(C)C ZINC000816721444 675075208 /nfs/dbraw/zinc/07/52/08/675075208.db2.gz ZVSOUQRVKWPELN-BEFAXECRSA-N 1 0 351.491 2.093 20 30 FEEDRO C[C@H](O)C[N@@H+]1CCN(Cc2ccc(Br)cc2C#N)[C@H](C)C1 ZINC000565098185 675094476 /nfs/dbraw/zinc/09/44/76/675094476.db2.gz JEWCAWRZGAATRR-OLZOCXBDSA-N 1 0 352.276 2.208 20 30 FEEDRO N#CC1CC[NH+](CCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)CC1 ZINC000057879184 670372397 /nfs/dbraw/zinc/37/23/97/670372397.db2.gz RXRBYXQXUGSXHG-UHFFFAOYSA-N 1 0 360.483 2.290 20 30 FEEDRO Cc1nc(CON=C(N)c2ccccc2C[NH+]2CCC(O)CC2)cs1 ZINC000068776738 670475721 /nfs/dbraw/zinc/47/57/21/670475721.db2.gz BZEWKKPDVLSRFZ-UHFFFAOYSA-N 1 0 360.483 2.245 20 30 FEEDRO CC[NH+]=C(NCc1cc(Cl)c2c(c1)OCCO2)NC[C@H]1CCCO1 ZINC000072720283 670497383 /nfs/dbraw/zinc/49/73/83/670497383.db2.gz ZXDQSGZSDOMPRF-CYBMUJFWSA-N 1 0 353.850 2.345 20 30 FEEDRO CCc1ccc(CNC(=[NH+]C)N2CCN(C(=O)c3ccco3)CC2)s1 ZINC000073177485 670500612 /nfs/dbraw/zinc/50/06/12/670500612.db2.gz YLWGHTXDBJUSIU-UHFFFAOYSA-N 1 0 360.483 2.437 20 30 FEEDRO C[NH+]=C(NCC[S@](=O)C(C)(C)C)N1CCN(c2ccccc2F)CC1 ZINC000088663106 670693090 /nfs/dbraw/zinc/69/30/90/670693090.db2.gz POUYVTWFYNEJIJ-RUZDIDTESA-N 1 0 368.522 2.070 20 30 FEEDRO CC(C)(C)OC(=O)N1CCN2C(NCCc3cccs3)=[NH+]C[C@@H]2C1 ZINC000089120088 670694625 /nfs/dbraw/zinc/69/46/25/670694625.db2.gz IEYCRLXPQOSQBN-CYBMUJFWSA-N 1 0 350.488 2.171 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)[C@H](NC(=O)OC(C)(C)C)C2CCC2)CC1 ZINC000817533704 675143171 /nfs/dbraw/zinc/14/31/71/675143171.db2.gz SFPFICSNXYAIRK-MRXNPFEDSA-N 1 0 351.491 2.446 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)Nc2cccc(CS(=O)(=O)C(C)C)c2)CC1 ZINC000112259986 670869453 /nfs/dbraw/zinc/86/94/53/670869453.db2.gz JZAIJXKMLUYNJD-UHFFFAOYSA-N 1 0 362.495 2.294 20 30 FEEDRO C#CCOc1ccc(C[NH2+]CCOc2ccc(S(C)(=O)=O)cc2)cc1 ZINC000113338781 670884313 /nfs/dbraw/zinc/88/43/13/670884313.db2.gz AFZQFSRTVXKUAZ-UHFFFAOYSA-N 1 0 359.447 2.271 20 30 FEEDRO CCS[C@@H]1CCC[C@@H]([NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000571515768 670885435 /nfs/dbraw/zinc/88/54/35/670885435.db2.gz ATVIDZOLHYWPDY-HUUCEWRRSA-N 1 0 353.513 2.381 20 30 FEEDRO C[NH+]=C(NCc1nc(C)cs1)N1CCN(c2ccccc2OC)CC1 ZINC000113840814 670888951 /nfs/dbraw/zinc/88/89/51/670888951.db2.gz QBZANLFPEZTWOQ-UHFFFAOYSA-N 1 0 359.499 2.358 20 30 FEEDRO C[NH+]=C(NCCn1cccn1)N(C)Cc1ccc(Br)cc1 ZINC000114085349 670889527 /nfs/dbraw/zinc/88/95/27/670889527.db2.gz TZXLKGLIWPUWBG-UHFFFAOYSA-N 1 0 350.264 2.353 20 30 FEEDRO C=C(Br)CNC(=O)N[C@@H]1CC[N@@H+](CCCOCC)C[C@H]1C ZINC000115811551 670899769 /nfs/dbraw/zinc/89/97/69/670899769.db2.gz GYMMZULVWUOCPZ-TZMCWYRMSA-N 1 0 362.312 2.331 20 30 FEEDRO C[N@H+](CCCc1[nH]nc(N)c1C#N)CCC(=O)Nc1ccccc1Cl ZINC000572819711 671048019 /nfs/dbraw/zinc/04/80/19/671048019.db2.gz YZTBFPBWLHUDDC-UHFFFAOYSA-N 1 0 360.849 2.410 20 30 FEEDRO C[C@@H](C[NH2+]C[C@H](O)CN(C)CCC#N)Oc1ccccc1Br ZINC000566111715 675182112 /nfs/dbraw/zinc/18/21/12/675182112.db2.gz FNFAAKJILOHBQU-KBPBESRZSA-N 1 0 370.291 2.012 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)c2ccc(S(=O)(=O)C3CC3)cc2)CC1 ZINC000574956858 671288851 /nfs/dbraw/zinc/28/88/51/671288851.db2.gz OUBJTBYLPJLDMC-UHFFFAOYSA-N 1 0 362.495 2.393 20 30 FEEDRO N#CC1(CS(=O)(=O)NC2CC[NH+](CCc3ccccc3)CC2)CCC1 ZINC000576863048 671400260 /nfs/dbraw/zinc/40/02/60/671400260.db2.gz FQKRNGPBQZEYON-UHFFFAOYSA-N 1 0 361.511 2.307 20 30 FEEDRO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CCSC3(CCC3)CC2)CC1 ZINC000577349157 671589522 /nfs/dbraw/zinc/58/95/22/671589522.db2.gz NAOPVRSGOGZZGS-QGZVFWFLSA-N 1 0 364.559 2.040 20 30 FEEDRO N#Cc1ccc(CNC(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)s1 ZINC000579460305 671737191 /nfs/dbraw/zinc/73/71/91/671737191.db2.gz WFMNAEVNUNLZPJ-SJORKVTESA-N 1 0 362.499 2.187 20 30 FEEDRO C[C@H](CCc1ccc(O)cc1)[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000581424420 671895402 /nfs/dbraw/zinc/89/54/02/671895402.db2.gz OJOOHHIVDKBWRZ-CQSZACIVSA-N 1 0 359.451 2.043 20 30 FEEDRO CN(CCCC[NH+](C)C)C(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 ZINC000610111754 675954506 /nfs/dbraw/zinc/95/45/06/675954506.db2.gz BZWFCUMLRSARFP-UHFFFAOYSA-N 1 0 365.499 2.178 20 30 FEEDRO CC[C@@H]([NH2+]C[C@H]1CCCCN1S(=O)(=O)N(C)C)c1ccc(C#N)cc1 ZINC000583170236 672069765 /nfs/dbraw/zinc/06/97/65/672069765.db2.gz QFXGQEJZLWYBQD-QZTJIDSGSA-N 1 0 364.515 2.260 20 30 FEEDRO CN(C)[C@H](C[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)c1ccccc1 ZINC000610497410 675975919 /nfs/dbraw/zinc/97/59/19/675975919.db2.gz ZXVJHUDNFYYFGJ-LJQANCHMSA-N 1 0 357.479 2.224 20 30 FEEDRO CC[NH+]=C(NCC1(SC)CCOCC1)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000130950655 672081888 /nfs/dbraw/zinc/08/18/88/672081888.db2.gz JTMKFDUIIJIYJM-ZNMIVQPWSA-N 1 0 355.548 2.267 20 30 FEEDRO C[C@@H]1C[C@H]1[N@@H+]1CCN([C@@H]2CCN(c3sccc3C#N)C2=O)C[C@@H](C)C1 ZINC000583358341 672086999 /nfs/dbraw/zinc/08/69/99/672086999.db2.gz RVHDSUPDPQOKJF-MUIFIZLQSA-N 1 0 358.511 2.387 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CSc3ccccc32)CC1 ZINC000584130940 672158718 /nfs/dbraw/zinc/15/87/18/672158718.db2.gz XPBHECZSDDEMJZ-MRXNPFEDSA-N 1 0 359.495 2.106 20 30 FEEDRO N#Cc1ccc(CN2CC[NH+](C[C@H]3CCCO3)CC2)c(OC(F)F)c1 ZINC000610613372 675984399 /nfs/dbraw/zinc/98/43/99/675984399.db2.gz VZQOOBDNWHOCEH-MRXNPFEDSA-N 1 0 351.397 2.456 20 30 FEEDRO Cc1cccc(NC(=[NH2+])NCCN(C)S(=O)(=O)c2cccs2)c1 ZINC000151407897 672162329 /nfs/dbraw/zinc/16/23/29/672162329.db2.gz PUULWHWPFRSJMO-UHFFFAOYSA-N 1 0 352.485 2.104 20 30 FEEDRO CC(C)CN(CC(F)(F)F)C(=O)CON=C(N)C[N@@H+]1CCCC[C@H]1C ZINC000151533895 672164597 /nfs/dbraw/zinc/16/45/97/672164597.db2.gz NJCBXKWQJSCRPL-CYBMUJFWSA-N 1 0 366.428 2.197 20 30 FEEDRO N#Cc1cnn2cc(C[NH2+]CC3(N4CCSCC4)CCCC3)cnc12 ZINC000584542769 672198395 /nfs/dbraw/zinc/19/83/95/672198395.db2.gz HLEVHIMRPYVJHI-UHFFFAOYSA-N 1 0 356.499 2.052 20 30 FEEDRO C=C(Br)CNC(N[C@H]1CCN(c2ncccc2Cl)C1)=[NH+]C ZINC000158973828 672275338 /nfs/dbraw/zinc/27/53/38/672275338.db2.gz IQWXQMYLJXINSL-NSHDSACASA-N 1 0 372.698 2.387 20 30 FEEDRO CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]C2CCN(CC#N)CC2)cc1 ZINC000610813734 675998600 /nfs/dbraw/zinc/99/86/00/675998600.db2.gz RMAGPVRCCZVVSD-AWEZNQCLSA-N 1 0 350.488 2.087 20 30 FEEDRO C[C@@H](CNC(=O)OC(C)(C)C)N(C)CC(=O)NC1(C#N)CCCCC1 ZINC000171955184 672337885 /nfs/dbraw/zinc/33/78/85/672337885.db2.gz PHIDZYFUEZBNIV-AWEZNQCLSA-N 1 0 352.479 2.174 20 30 FEEDRO CC[NH+]=C(NCC1CCOCC1)N[C@H]1CCN(c2ncccc2Cl)C1 ZINC000179211399 672399785 /nfs/dbraw/zinc/39/97/85/672399785.db2.gz FSUASYNWORCMSN-HNNXBMFYSA-N 1 0 365.909 2.295 20 30 FEEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]C1CCN(S(=O)(=O)C2CC2)CC1 ZINC000611394532 676035513 /nfs/dbraw/zinc/03/55/13/676035513.db2.gz PDGZSVURTTYCSF-LJQANCHMSA-N 1 0 359.495 2.482 20 30 FEEDRO N#Cc1cc(Br)cnc1NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000590694358 672603086 /nfs/dbraw/zinc/60/30/86/672603086.db2.gz DKZBHMJTYSJHSZ-AWEZNQCLSA-N 1 0 351.248 2.381 20 30 FEEDRO CC(C)(C)c1csc(NC(=O)C(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)c1C#N ZINC000591304336 672667692 /nfs/dbraw/zinc/66/76/92/672667692.db2.gz DIMFJZHEPDWUAS-RISCZKNCSA-N 1 0 360.483 2.066 20 30 FEEDRO CN(CCC#N)C[C@H](O)C[NH2+][C@@H]1CCc2c1cccc2Br ZINC000591733523 672706203 /nfs/dbraw/zinc/70/62/03/672706203.db2.gz BSMWQHBTVKUILW-MLGOLLRUSA-N 1 0 352.276 2.232 20 30 FEEDRO N#Cc1ccc2c(c1)CC[C@H]2[NH2+]CCS(=O)(=O)c1cccc(C#N)c1 ZINC000591764233 672708877 /nfs/dbraw/zinc/70/88/77/672708877.db2.gz YJUIFIJGPZPNGX-LJQANCHMSA-N 1 0 351.431 2.481 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@H]2CCc3cc(C#N)ccc32)cc1 ZINC000591764318 672708971 /nfs/dbraw/zinc/70/89/71/672708971.db2.gz FOKQGWIDOLKLFZ-IBGZPJMESA-N 1 0 351.431 2.481 20 30 FEEDRO C[NH+]1CCC2(CC1)CN(C(=O)NCc1ccc(C#N)c(Cl)c1)CCO2 ZINC000592021232 672735648 /nfs/dbraw/zinc/73/56/48/672735648.db2.gz MCKOOOQLAPPIGN-UHFFFAOYSA-N 1 0 362.861 2.218 20 30 FEEDRO C=C[C@](C)(CCOC)C(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000682157865 672738431 /nfs/dbraw/zinc/73/84/31/672738431.db2.gz SNLIXNZMGFLJJE-WSTZPKSXSA-N 1 0 351.535 2.232 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@H](C(C)C)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000592071183 672746859 /nfs/dbraw/zinc/74/68/59/672746859.db2.gz JBBUQNPEJVIJNB-SCTDSRPQSA-N 1 0 351.535 2.277 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N(CC(=O)OC)Cc2ccc(Cl)cc2)CC1 ZINC000195103016 672775456 /nfs/dbraw/zinc/77/54/56/672775456.db2.gz ITRFHPOUBVXHBY-UHFFFAOYSA-N 1 0 362.857 2.187 20 30 FEEDRO [NH2+]=C(N[C@@H]1COc2cc(F)c(Br)cc21)N1CCSCC1 ZINC000261757247 672902700 /nfs/dbraw/zinc/90/27/00/672902700.db2.gz QQRWCCDEELDOBA-LLVKDONJSA-N 1 0 360.252 2.385 20 30 FEEDRO CCc1nsc(N2CCN(C(NCc3sccc3C)=[NH+]C)CC2)n1 ZINC000261832641 672904095 /nfs/dbraw/zinc/90/40/95/672904095.db2.gz VPYCXMXHKBVSHP-UHFFFAOYSA-N 1 0 364.544 2.368 20 30 FEEDRO C[NH+]=C(NC[C@H](C)c1ccc(C)cc1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261940462 672905377 /nfs/dbraw/zinc/90/53/77/672905377.db2.gz DLVLOIJICPGCOW-HNNXBMFYSA-N 1 0 351.516 2.183 20 30 FEEDRO CC[NH+]=C(NCCOc1ccc(F)c(F)c1)N1CC[C@]2(CCOC2)C1 ZINC000261963498 672906625 /nfs/dbraw/zinc/90/66/25/672906625.db2.gz KWGTWDZZJAMTQQ-SFHVURJKSA-N 1 0 353.413 2.422 20 30 FEEDRO [NH2+]=C(NCc1cccc(NC(=O)c2ccccn2)c1)N1CCSCC1 ZINC000262005363 672907472 /nfs/dbraw/zinc/90/74/72/672907472.db2.gz RDXMEYQFODDDEW-UHFFFAOYSA-N 1 0 355.467 2.197 20 30 FEEDRO Cc1nnc(CNC(=[NH+]C2CCCC2)N2CCSC(C)(C)C2)n1C ZINC000261999604 672907544 /nfs/dbraw/zinc/90/75/44/672907544.db2.gz UAAIRIQJVQUGIP-UHFFFAOYSA-N 1 0 350.536 2.339 20 30 FEEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)CCOCC(F)F)CC2)c1 ZINC000593350760 672912292 /nfs/dbraw/zinc/91/22/92/672912292.db2.gz GEBRPGWDVXIQGI-UHFFFAOYSA-N 1 0 351.397 2.311 20 30 FEEDRO CC(C)[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N1CCC2(C1)CCCCC2 ZINC000262327401 672913455 /nfs/dbraw/zinc/91/34/55/672913455.db2.gz AFTLFEOFLKQRKG-INIZCTEOSA-N 1 0 355.548 2.431 20 30 FEEDRO CS[C@@H]1CCC[C@H](NC(NC[C@H]2CCS(=O)(=O)C2)=[NH+]C(C)C)C1 ZINC000262331095 672913521 /nfs/dbraw/zinc/91/35/21/672913521.db2.gz AYYYLKQVBKLWPL-QLFBSQMISA-N 1 0 361.577 2.039 20 30 FEEDRO CCc1cccc(CC)c1NC(=[NH2+])NC[C@@H]1CCCCN1S(C)(=O)=O ZINC000262474177 672916356 /nfs/dbraw/zinc/91/63/56/672916356.db2.gz BQJYDDFJXGJLGW-INIZCTEOSA-N 1 0 366.531 2.352 20 30 FEEDRO C[NH+](C)C[C@H]1CCCN1C(=O)Cc1ccc(Br)cc1C#N ZINC000593447786 672924708 /nfs/dbraw/zinc/92/47/08/672924708.db2.gz FBGRAIILNZYESQ-OAHLLOKOSA-N 1 0 350.260 2.416 20 30 FEEDRO COc1ccc(OC)c(NC(=[NH2+])NC[C@@H]2CCN(CC(F)(F)F)C2)c1 ZINC000303883672 673018597 /nfs/dbraw/zinc/01/85/97/673018597.db2.gz ISQIBGPPIQNQGV-NSHDSACASA-N 1 0 360.380 2.315 20 30 FEEDRO CCN(CC)S(=O)(=O)c1ccc(CCNC(=[NH2+])NCCC(C)C)s1 ZINC000303973474 673019301 /nfs/dbraw/zinc/01/93/01/673019301.db2.gz GXXUKAYMTOICIV-UHFFFAOYSA-N 1 0 374.576 2.272 20 30 FEEDRO CCOC(=O)N1CCC(NC(=[NH2+])NCCOC2CCCCCC2)CC1 ZINC000304752863 673020327 /nfs/dbraw/zinc/02/03/27/673020327.db2.gz KRNMGSPSZSFLJE-UHFFFAOYSA-N 1 0 354.495 2.251 20 30 FEEDRO CCOC(=O)N1CCC(NC(=[NH2+])NCCCSc2nccs2)CC1 ZINC000304760350 673020585 /nfs/dbraw/zinc/02/05/85/673020585.db2.gz SGHHOVJVJYWRPA-UHFFFAOYSA-N 1 0 371.532 2.151 20 30 FEEDRO N#CCCCC[C@@H]([NH3+])C(=O)NCCc1nc(-c2cccc(Cl)c2)no1 ZINC000594448048 673073530 /nfs/dbraw/zinc/07/35/30/673073530.db2.gz ZJGANPWSBYCFCG-CQSZACIVSA-N 1 0 361.833 2.460 20 30 FEEDRO CO[C@@H]1[C@H](C)[C@@H](NC(=O)N2C[C@@H](OC)C[C@H]2C[NH+]2CCCC2)C1(C)C ZINC000329373576 673076009 /nfs/dbraw/zinc/07/60/09/673076009.db2.gz JXSMLWUAQUYOFH-DRRXZNNHSA-N 1 0 353.507 2.145 20 30 FEEDRO CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1CC ZINC000329391769 673076823 /nfs/dbraw/zinc/07/68/23/673076823.db2.gz VNXPGGZGPJXDCX-JKSUJKDBSA-N 1 0 359.536 2.412 20 30 FEEDRO COCc1cccc2sc(=NC(=O)NC[C@@H]3C[N@H+](C)CCN3C)[nH]c21 ZINC000329601606 673080005 /nfs/dbraw/zinc/08/00/05/673080005.db2.gz QHZCRPJXSSBUFZ-CYBMUJFWSA-N 1 0 363.487 2.014 20 30 FEEDRO Cc1nc(CN2CCCN(C(=O)N[C@@H]3CC[N@H+](C)[C@@H](C)C3)CC2)cs1 ZINC000329798021 673083357 /nfs/dbraw/zinc/08/33/57/673083357.db2.gz GFSZUBGRZKQMRW-GOEBONIOSA-N 1 0 365.547 2.356 20 30 FEEDRO COC1(CNC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)CCC(C)CC1 ZINC000330034861 673085165 /nfs/dbraw/zinc/08/51/65/673085165.db2.gz WVGPILHIYLAHHG-TVRKMHQQSA-N 1 0 353.507 2.150 20 30 FEEDRO CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1CCCSC1 ZINC000330205327 673087216 /nfs/dbraw/zinc/08/72/16/673087216.db2.gz DJDXQOYINDQPJP-IEBWSBKVSA-N 1 0 363.527 2.365 20 30 FEEDRO N#Cc1ccc(CS(=O)(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)c(F)c1 ZINC000594483769 673087808 /nfs/dbraw/zinc/08/78/08/673087808.db2.gz PIKCVEHWEGXRQD-DLBZAZTESA-N 1 0 351.447 2.134 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1Cl ZINC000333869392 673109563 /nfs/dbraw/zinc/10/95/63/673109563.db2.gz RRFOTMKUDQYELD-BBRMVZONSA-N 1 0 353.875 2.364 20 30 FEEDRO N#C[C@@H]1CCC[C@H]([NH2+]CCNC(=O)c2ccc(Br)cn2)C1 ZINC000595056158 673189881 /nfs/dbraw/zinc/18/98/81/673189881.db2.gz BLPYEROBSWXKMT-YPMHNXCESA-N 1 0 351.248 2.246 20 30 FEEDRO Cc1cccc(S(=O)(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)c1C#N ZINC000595119801 673196927 /nfs/dbraw/zinc/19/69/27/673196927.db2.gz HWMUPLBZGOVKGR-SJLPKXTDSA-N 1 0 355.463 2.291 20 30 FEEDRO COc1cc[nH+]c(N2CCN(C(=S)Nc3ccccc3C#N)CC2)c1 ZINC000729165152 673226816 /nfs/dbraw/zinc/22/68/16/673226816.db2.gz QEMLLIPXPJZZRP-UHFFFAOYSA-N 1 0 353.451 2.481 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)NCC2CC[NH+](CC3CC3)CC2)cc1F ZINC000595411859 673246037 /nfs/dbraw/zinc/24/60/37/673246037.db2.gz OQOMZNWCGBNGGR-UHFFFAOYSA-N 1 0 351.447 2.098 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)NCC2CC[NH+](CC3CC3)CC2)c(F)c1 ZINC000595413277 673246371 /nfs/dbraw/zinc/24/63/71/673246371.db2.gz ZCCAVHGVIDXFRB-UHFFFAOYSA-N 1 0 351.447 2.098 20 30 FEEDRO N#Cc1sccc1N1CCN(C(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000595437417 673250956 /nfs/dbraw/zinc/25/09/56/673250956.db2.gz HKAXOIHAEAAJBA-UHFFFAOYSA-N 1 0 359.499 2.078 20 30 FEEDRO C[C@@H](NC(=O)N1CCN(c2ccsc2C#N)CC1)C1CC[NH+](C)CC1 ZINC000595552685 673265045 /nfs/dbraw/zinc/26/50/45/673265045.db2.gz ZIKOERHAYOYNCS-CQSZACIVSA-N 1 0 361.515 2.182 20 30 FEEDRO CO[C@@H]1CCC[C@@H]([C@H](CO)[NH2+]CCC(=O)Nc2sccc2C#N)C1 ZINC000595630692 673276262 /nfs/dbraw/zinc/27/62/62/673276262.db2.gz AVFOVEAMEQDUTJ-YUELXQCFSA-N 1 0 351.472 2.104 20 30 FEEDRO CC(C)([NH2+]CCC(=O)NC(=O)NCC(F)(F)F)c1cccc(C#N)c1 ZINC000595638414 673277343 /nfs/dbraw/zinc/27/73/43/673277343.db2.gz DIRGKZWNQLJFLH-UHFFFAOYSA-N 1 0 356.348 2.161 20 30 FEEDRO C[NH+](C)CCCNC(=S)NN=Cc1ccc(OCC(F)(F)F)cc1 ZINC000731930657 673348480 /nfs/dbraw/zinc/34/84/80/673348480.db2.gz GVDGKGVMPYOJAU-UHFFFAOYSA-N 1 0 362.421 2.377 20 30 FEEDRO CCCCn1nc(C)c(C=NNC(=S)NCCC[NH+](C)C)c1Cl ZINC000731930539 673348490 /nfs/dbraw/zinc/34/84/90/673348490.db2.gz BDJBMRWLEPDEGM-UHFFFAOYSA-N 1 0 358.943 2.395 20 30 FEEDRO C#CC[N@@H+](CCC(=O)NC)[C@H]1CCOc2ccc(Br)cc21 ZINC000733196384 673402914 /nfs/dbraw/zinc/40/29/14/673402914.db2.gz CTIRBSVYZKTCCR-AWEZNQCLSA-N 1 0 351.244 2.344 20 30 FEEDRO CCS(=O)(=O)C[C@H](C)[NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000538218481 673427459 /nfs/dbraw/zinc/42/74/59/673427459.db2.gz ZKGFXUDUMIDICE-ZFWWWQNUSA-N 1 0 353.463 2.079 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1csc2cncn21 ZINC000733888822 673442666 /nfs/dbraw/zinc/44/26/66/673442666.db2.gz GCXQELATYBKDDA-UHFFFAOYSA-N 1 0 353.451 2.471 20 30 FEEDRO C[N@H+](CC(=O)NC1(c2cccc(C#N)c2)CCOCC1)[C@H]1CCSC1 ZINC000598250937 673552224 /nfs/dbraw/zinc/55/22/24/673552224.db2.gz YFCISYRPARPPCP-KRWDZBQOSA-N 1 0 359.495 2.117 20 30 FEEDRO CCC[N@@H+]1CC[C@@H](NC(=O)COc2cccc(Br)c2C#N)C1 ZINC000598341835 673561431 /nfs/dbraw/zinc/56/14/31/673561431.db2.gz GUAJIIXNFBBVPS-GFCCVEGCSA-N 1 0 366.259 2.300 20 30 FEEDRO Cc1cc(CN2C[C@@H](F)C[C@H]2C[N@H+](C)C[C@@H](O)CC(C)(C)C#N)on1 ZINC000598605448 673588838 /nfs/dbraw/zinc/58/88/38/673588838.db2.gz AQZIJTYKNCYJCW-JYJNAYRXSA-N 1 0 352.454 2.128 20 30 FEEDRO CC(C)(C#N)C[C@@H](O)C[NH2+]C[C@H](CO)Cc1cccc(Br)c1 ZINC000598729586 673604078 /nfs/dbraw/zinc/60/40/78/673604078.db2.gz LLVYORJRJVILHB-GDBMZVCRSA-N 1 0 369.303 2.490 20 30 FEEDRO COc1ccc(C[NH2+]C[C@@H]2CCCCS2(=O)=O)cc1OCCCC#N ZINC000543239189 673634829 /nfs/dbraw/zinc/63/48/29/673634829.db2.gz KFUAIQBMCQOLTL-INIZCTEOSA-N 1 0 366.483 2.435 20 30 FEEDRO COCCN(Cc1scnc1C)C[C@H](O)COc1ccccc1C#N ZINC000599397203 673669403 /nfs/dbraw/zinc/66/94/03/673669403.db2.gz WMUGOPUBPTVMKU-INIZCTEOSA-N 1 0 361.467 2.212 20 30 FEEDRO CC(C)(C)OC(=O)[C@]1(C)CCC[N@@H+]1C[C@H](O)CC1(C#N)CCOCC1 ZINC000599501497 673685262 /nfs/dbraw/zinc/68/52/62/673685262.db2.gz YOQOJXDVKNFFRY-QAPCUYQASA-N 1 0 352.475 2.254 20 30 FEEDRO C[C@@H](C[NH2+]C[C@H](O)CC1(C#N)CCOCC1)N1CCc2sccc2C1 ZINC000600717358 673793946 /nfs/dbraw/zinc/79/39/46/673793946.db2.gz KOUXPOUNMHYCNQ-DOTOQJQBSA-N 1 0 363.527 2.156 20 30 FEEDRO C#CCN(CC#CC)CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000744410600 673795887 /nfs/dbraw/zinc/79/58/87/673795887.db2.gz PCOLRJGXLYJRIK-UHFFFAOYSA-N 1 0 355.507 2.132 20 30 FEEDRO N#CC1(C[C@H](O)C[NH2+][C@@H]2CCN(c3ccc(Cl)cc3F)C2=O)CC1 ZINC000600754815 673796668 /nfs/dbraw/zinc/79/66/68/673796668.db2.gz CHTAXMCQMDDUAH-GXTWGEPZSA-N 1 0 351.809 2.229 20 30 FEEDRO CN(CCC#N)C[C@@H](O)C[NH2+]Cc1cc(F)c(Br)cc1F ZINC000600754813 673796682 /nfs/dbraw/zinc/79/66/82/673796682.db2.gz CGJGKPSFILKNMP-NSHDSACASA-N 1 0 362.218 2.023 20 30 FEEDRO CC(C)(C#N)C[C@H](O)C[NH2+][C@@H]1CCN(c2ccc(Cl)cc2F)C1=O ZINC000600763376 673797277 /nfs/dbraw/zinc/79/72/77/673797277.db2.gz VBRLKWVWDFFPHB-GXTWGEPZSA-N 1 0 353.825 2.475 20 30 FEEDRO CC[NH+](CC)CCOC1CCN(S(=O)(=O)CC2(C#N)CCCC2)CC1 ZINC000546768724 673817324 /nfs/dbraw/zinc/81/73/24/673817324.db2.gz ZNEOILBXKUCLQS-UHFFFAOYSA-N 1 0 371.547 2.223 20 30 FEEDRO Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000601377816 673851921 /nfs/dbraw/zinc/85/19/21/673851921.db2.gz GFJHVDSHJQOCOT-OAHLLOKOSA-N 1 0 365.474 2.358 20 30 FEEDRO C[N@H+](CC1CC1)C[C@@H]1CCN(S(=O)(=O)CC2(C#N)CCCCC2)C1 ZINC000547472577 673854435 /nfs/dbraw/zinc/85/44/35/673854435.db2.gz DVZITMSPTRYJSW-KRWDZBQOSA-N 1 0 353.532 2.454 20 30 FEEDRO CCCC[NH+]1CCC(Nc2ccc(C#N)cc2CS(N)(=O)=O)CC1 ZINC000603283212 673921951 /nfs/dbraw/zinc/92/19/51/673921951.db2.gz MJYBDRGYBCVDOZ-UHFFFAOYSA-N 1 0 350.488 2.023 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)C(F)(F)Oc2ccc(C=O)cc2)CC1 ZINC000747404116 673926476 /nfs/dbraw/zinc/92/64/76/673926476.db2.gz GGYOQOMVNWBVHI-UHFFFAOYSA-N 1 0 350.365 2.075 20 30 FEEDRO C#CCNC(=O)CC[NH2+]CC1(NC(=O)OC(C)(C)C)CCCCCC1 ZINC000818955130 675246332 /nfs/dbraw/zinc/24/63/32/675246332.db2.gz KLDYQLIBIZVMHN-UHFFFAOYSA-N 1 0 351.491 2.333 20 30 FEEDRO CN(C)c1ccc(C[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)cc1F ZINC000818984557 675249756 /nfs/dbraw/zinc/24/97/56/675249756.db2.gz CBIMKQXNVUFOHK-UHFFFAOYSA-N 1 0 361.442 2.327 20 30 FEEDRO CC[NH+]1CCC(NC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)CC1 ZINC000819032218 675254125 /nfs/dbraw/zinc/25/41/25/675254125.db2.gz DFEKSXREGQZCJQ-HNNXBMFYSA-N 1 0 352.479 2.174 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC(O[C@H]3CCOC3)CC2)CC1 ZINC000567008534 675259791 /nfs/dbraw/zinc/25/97/91/675259791.db2.gz LJLRMQUYARDAMF-SFHVURJKSA-N 1 0 351.491 2.006 20 30 FEEDRO CN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](C)C1 ZINC000819313669 675280487 /nfs/dbraw/zinc/28/04/87/675280487.db2.gz JKNLTSCNTCPMME-HUUCEWRRSA-N 1 0 352.479 2.126 20 30 FEEDRO C[C@@H]1CCC[N@@H+]1CCNC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C ZINC000819931964 675325352 /nfs/dbraw/zinc/32/53/52/675325352.db2.gz YHRUQZLDYOWPIY-HUUCEWRRSA-N 1 0 352.479 2.174 20 30 FEEDRO C[NH+]1CCC(OCC(=O)N[C@@H](c2cccc(C#N)c2)C(F)(F)F)CC1 ZINC000828696352 675837392 /nfs/dbraw/zinc/83/73/92/675837392.db2.gz VWZVRWONOXFOQU-INIZCTEOSA-N 1 0 355.360 2.389 20 30 FEEDRO CC[NH+](CC)CCOCCNC(=O)NCc1ccc(C#N)c(Cl)c1 ZINC000619821362 676396402 /nfs/dbraw/zinc/39/64/02/676396402.db2.gz OWONSYXMMZGXCI-UHFFFAOYSA-N 1 0 352.866 2.369 20 30 FEEDRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)NCc1ccc(C#N)c(Cl)c1 ZINC000619828603 676396544 /nfs/dbraw/zinc/39/65/44/676396544.db2.gz WDZMTUHCOORLCL-MRXNPFEDSA-N 1 0 364.877 2.464 20 30 FEEDRO C=CCOc1c(Br)cc(C[NH2+][C@@H]2CCOC[C@H]2O)cc1OC ZINC000623765238 676550585 /nfs/dbraw/zinc/55/05/85/676550585.db2.gz PNCIRZZOHIXCIG-ZIAGYGMSSA-N 1 0 372.259 2.262 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCc3cc(Cl)ccc32)CC1 ZINC000636676303 677123902 /nfs/dbraw/zinc/12/39/02/677123902.db2.gz GLQIEEUUVZUPBI-KRWDZBQOSA-N 1 0 361.873 2.210 20 30 FEEDRO C=CCN1CC[C@@H]([NH2+][C@H](CCO)c2cccc(OC(F)(F)F)c2)C1=O ZINC000646017543 677277037 /nfs/dbraw/zinc/27/70/37/677277037.db2.gz YMLHHGCKRVDNNP-HUUCEWRRSA-N 1 0 358.360 2.385 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)N[C@]1(Cc2ccc(Cl)cc2)CCOC1 ZINC000838621858 680706527 /nfs/dbraw/zinc/70/65/27/680706527.db2.gz GUHMPHWOPLGQOF-IBGZPJMESA-N 1 0 363.889 2.296 20 30 FEEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1S[C@H]1CCN(CC)C1=O ZINC000657237877 677987008 /nfs/dbraw/zinc/98/70/08/677987008.db2.gz JLZSSJOMPGOQEA-HNNXBMFYSA-N 1 0 363.531 2.205 20 30 FEEDRO C[N@H+](CCNC(=O)OC(C)(C)C)CCC(=O)Nc1sccc1C#N ZINC000839133828 680740444 /nfs/dbraw/zinc/74/04/44/680740444.db2.gz CKYZZELBVSQFHR-UHFFFAOYSA-N 1 0 352.460 2.405 20 30 FEEDRO C=C[C@H](CO)[NH2+]C1CCN(C(=O)c2ccc(Br)cc2C)CC1 ZINC000657791379 678037481 /nfs/dbraw/zinc/03/74/81/678037481.db2.gz XQYZPNWDWFWIEL-CQSZACIVSA-N 1 0 367.287 2.499 20 30 FEEDRO C[NH+](C)CCCNC(=S)NN=C(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000763174813 680775073 /nfs/dbraw/zinc/77/50/73/680775073.db2.gz FIHKLBBMEYEKPZ-UHFFFAOYSA-N 1 0 363.487 2.319 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000661142566 678440653 /nfs/dbraw/zinc/44/06/53/678440653.db2.gz WXJFSSHACCDCRF-JKSUJKDBSA-N 1 0 359.499 2.265 20 30 FEEDRO C[C@@H]1CN(C(=S)Nc2ccccc2C#N)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000763297471 680778903 /nfs/dbraw/zinc/77/89/03/680778903.db2.gz AZMCOPKFSNJAHX-QAPCUYQASA-N 1 0 357.527 2.213 20 30 FEEDRO C=CCC1([NH2+]CC(=O)Nc2cc(S(N)(=O)=O)cc(C)c2C)CCCC1 ZINC000661851094 678542176 /nfs/dbraw/zinc/54/21/76/678542176.db2.gz NCGWVVDKOQRESM-UHFFFAOYSA-N 1 0 365.499 2.368 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)[C@H](N)c2ccccc2Br)CC1 ZINC000662449114 678622501 /nfs/dbraw/zinc/62/25/01/678622501.db2.gz VKZHVLIAJWOJEO-OAHLLOKOSA-N 1 0 352.276 2.216 20 30 FEEDRO C=CC[C@@]1(C(=O)Nc2ccc(S(=O)(=O)NCCC)cc2)CCC[NH2+]1 ZINC000662484279 678628289 /nfs/dbraw/zinc/62/82/89/678628289.db2.gz UDLQXIAXUVMPMQ-KRWDZBQOSA-N 1 0 351.472 2.012 20 30 FEEDRO N#Cc1ccc(NC(=O)CC[N@@H+]2CCN3C(=O)OCC[C@H]3C2)cc1Cl ZINC000764446463 680809448 /nfs/dbraw/zinc/80/94/48/680809448.db2.gz IGPNDYWOSMHABB-AWEZNQCLSA-N 1 0 362.817 2.067 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@@H](C[C@@H]2COCCO2)C(F)(F)F)CC1 ZINC000668370089 679170100 /nfs/dbraw/zinc/17/01/00/679170100.db2.gz MXKXDSMOSRSLPQ-HUUCEWRRSA-N 1 0 364.408 2.127 20 30 FEEDRO CS[C@H]1CN(C(=O)c2c(C)oc(-n3cccc3)c2C#N)C[C@@H]1[NH+](C)C ZINC000765273088 680838035 /nfs/dbraw/zinc/83/80/35/680838035.db2.gz WKGFMOYLDQSVHN-GJZGRUSLSA-N 1 0 358.467 2.368 20 30 FEEDRO C#CCOc1ccc(Br)cc1C[NH2+][C@H]1CCC[C@@H]1C(=O)NC ZINC000765794104 680855453 /nfs/dbraw/zinc/85/54/53/680855453.db2.gz AILGZXIRLXFXMB-GJZGRUSLSA-N 1 0 365.271 2.465 20 30 FEEDRO Cc1ccc(Cc2cnc(NC(=O)N[C@H]3C[NH2+]C[C@@H]3C#N)s2)cc1F ZINC000841020486 680860373 /nfs/dbraw/zinc/86/03/73/680860373.db2.gz RXKVUJDACMFQNW-WFASDCNBSA-N 1 0 359.430 2.415 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CCCC2CCOCC2)C1 ZINC001008584695 679918737 /nfs/dbraw/zinc/91/87/37/679918737.db2.gz XSZGRHSHNAMLDA-OTWHNJEPSA-N 1 0 350.503 2.365 20 30 FEEDRO COC(=O)C1(C#N)CC[NH+](C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000831691094 680025605 /nfs/dbraw/zinc/02/56/05/680025605.db2.gz ICPSNGBFGQJXAB-AWEZNQCLSA-N 1 0 351.447 2.022 20 30 FEEDRO N#Cc1ccc(C[N@@H+]2CC[C@@]3(NC(=O)[C@]45C[C@H]4COC5)CCC[C@@H]23)s1 ZINC000990821182 680075189 /nfs/dbraw/zinc/07/51/89/680075189.db2.gz XXXKKGVKIOGNGJ-BIGGFVEDSA-N 1 0 357.479 2.269 20 30 FEEDRO NS(=O)(=O)c1ccc(N=NC2CCCC[C@H]2[NH+]2CCCCCC2)nc1 ZINC000749809165 680076691 /nfs/dbraw/zinc/07/66/91/680076691.db2.gz BHJXLVSKVXWERR-MRXNPFEDSA-N 1 0 365.503 2.316 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCn2cc(Cl)cn2)C1 ZINC001020714588 680113236 /nfs/dbraw/zinc/11/32/36/680113236.db2.gz VFMQDPYDAJELJC-QAETUUGQSA-N 1 0 366.893 2.145 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC2CC(OCC)C2)C1 ZINC001020713395 680113327 /nfs/dbraw/zinc/11/33/27/680113327.db2.gz ANQBGPBFTYMUTM-PKEUAFFXSA-N 1 0 350.503 2.410 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[N@H+](CC2CCOCC2)CC1(C)C ZINC000977311072 680160053 /nfs/dbraw/zinc/16/00/53/680160053.db2.gz BQTRFGLBPWITCO-BZSNNMDCSA-N 1 0 350.503 2.221 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3nc(C)c(C)s3)C[C@H]21 ZINC000978709622 680179263 /nfs/dbraw/zinc/17/92/63/680179263.db2.gz AXQGSNRMCXQRQQ-MTSZKFMLSA-N 1 0 361.511 2.145 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3ccns3)C[C@H]21 ZINC000978838091 680181601 /nfs/dbraw/zinc/18/16/01/680181601.db2.gz YPHDKYNKZUYOOG-TXTZMMAHSA-N 1 0 361.511 2.308 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[N@H+](CCC[C@H]2CCOC2)CC1 ZINC000981189663 680219617 /nfs/dbraw/zinc/21/96/17/680219617.db2.gz BEFIIQLKUXHYIF-OTWHNJEPSA-N 1 0 350.503 2.319 20 30 FEEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1 ZINC000834507157 680236422 /nfs/dbraw/zinc/23/64/22/680236422.db2.gz YMYOXCSNJDUSFU-CHWSQXEVSA-N 1 0 355.419 2.028 20 30 FEEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1 ZINC000834507161 680236475 /nfs/dbraw/zinc/23/64/75/680236475.db2.gz YMYOXCSNJDUSFU-OLZOCXBDSA-N 1 0 355.419 2.028 20 30 FEEDRO CC(C)c1c(C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)cnn1-c1ccc(Cl)cc1 ZINC000834517389 680237167 /nfs/dbraw/zinc/23/71/67/680237167.db2.gz UXBXNOYMXSYBEQ-BLLLJJGKSA-N 1 0 357.845 2.490 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[N@@H+](C[C@@H](O)C2CCCCC2)CC1 ZINC000981994921 680261231 /nfs/dbraw/zinc/26/12/31/680261231.db2.gz WCLXDSRIHIJOGJ-QRVBRYPASA-N 1 0 350.503 2.053 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC2(C1)CCC[N@@H+](C[C@@H](CC)OC)C2 ZINC000982064848 680265610 /nfs/dbraw/zinc/26/56/10/680265610.db2.gz ZFQUUROFJDRERT-SQNIBIBYSA-N 1 0 350.503 2.317 20 30 FEEDRO C=CC[C@@H](CO)[NH2+]Cc1nc2c(s1)CN(C(=O)OC(C)(C)C)CC2 ZINC000835047443 680290969 /nfs/dbraw/zinc/29/09/69/680290969.db2.gz HMENAQLWRDUVRY-LBPRGKRZSA-N 1 0 353.488 2.463 20 30 FEEDRO N#Cc1ccc(OCC(=O)O[C@@H]2CCN(CCF)C2)cc1Br ZINC000835370797 680324431 /nfs/dbraw/zinc/32/44/31/680324431.db2.gz KHNMSOAEPUFASO-CYBMUJFWSA-N 1 0 371.206 2.287 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]([NH2+]CC2CCOCC2)C(C)(C)C1 ZINC000996404204 680332102 /nfs/dbraw/zinc/33/21/02/680332102.db2.gz BOOCXHMNZWHDRK-BZSNNMDCSA-N 1 0 350.503 2.221 20 30 FEEDRO CCN(CC)S(=O)(=O)c1ccc(N=NC2C[N@@H+](C(C)C)C[C@H]2C)nc1 ZINC000754257313 680345884 /nfs/dbraw/zinc/34/58/84/680345884.db2.gz HTQOEHVGTGHYNZ-CQSZACIVSA-N 1 0 367.519 2.240 20 30 FEEDRO C=C(Br)C[NH2+]C1CCC(NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC1 ZINC001026565082 680347239 /nfs/dbraw/zinc/34/72/39/680347239.db2.gz UNJCKIIPZRKPJG-ODGNXRKOSA-N 1 0 357.292 2.480 20 30 FEEDRO C[C@@H](NC(=O)[C@]12C[C@H]1COC2)C1CC[NH+](Cc2ccc(C#N)s2)CC1 ZINC000997101963 680347599 /nfs/dbraw/zinc/34/75/99/680347599.db2.gz UCFLDXAPKLJIFH-WTANOLMUSA-N 1 0 359.495 2.373 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)C1CC[NH+](CCOC2CCC2)CC1 ZINC000997755089 680365319 /nfs/dbraw/zinc/36/53/19/680365319.db2.gz WLPYFPHPUYQIHD-IPELMVKDSA-N 1 0 350.503 2.363 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC(C[NH2+][C@@H](C)c2csnn2)CC1 ZINC000997782096 680365697 /nfs/dbraw/zinc/36/56/97/680365697.db2.gz PYLCUQHZCIXNDS-LXZKKBNFSA-N 1 0 364.515 2.409 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2cc(OC)ns2)CC1 ZINC000998094529 680375244 /nfs/dbraw/zinc/37/52/44/680375244.db2.gz KPKZPKXVNDEYGM-CVEARBPZSA-N 1 0 365.499 2.071 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC(C[NH2+][C@H](C)c2csnn2)CC1 ZINC000998148979 680377807 /nfs/dbraw/zinc/37/78/07/680377807.db2.gz SFXOLERDAFYDRR-KMFMINBZSA-N 1 0 364.515 2.409 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1 ZINC000836379761 680460747 /nfs/dbraw/zinc/46/07/47/680460747.db2.gz QUCYXHSGHOJNMC-CQSZACIVSA-N 1 0 366.868 2.312 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)NC1CCC(C(=O)OC(C)(C)C)CC1 ZINC000836381472 680461004 /nfs/dbraw/zinc/46/10/04/680461004.db2.gz FCAPBUYOHZBQTG-UHFFFAOYSA-N 1 0 351.491 2.141 20 30 FEEDRO C=C(Br)CN1CCC(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001001418847 680461396 /nfs/dbraw/zinc/46/13/96/680461396.db2.gz NQLWDQPHUMDHOX-UKRRQHHQSA-N 1 0 358.324 2.063 20 30 FEEDRO C#C[C@H](NC(=O)NCC[N@@H+]1CCCOCC1)c1ccc(Cl)cc1F ZINC000836454064 680471695 /nfs/dbraw/zinc/47/16/95/680471695.db2.gz OMXVCVIZTAIIKH-INIZCTEOSA-N 1 0 353.825 2.175 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC([N@H+](C)C[C@H]2CCCOC2)CC1 ZINC000985698129 680471815 /nfs/dbraw/zinc/47/18/15/680471815.db2.gz YRYNTYOPGLYERT-NEWSRXKRSA-N 1 0 350.503 2.317 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)NC1CC[NH+](C[C@@H](O)C2CCCCC2)CC1 ZINC001003651195 680537864 /nfs/dbraw/zinc/53/78/64/680537864.db2.gz AGVSMFNPDTWWSZ-QRVBRYPASA-N 1 0 350.503 2.099 20 30 FEEDRO C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1Nc1nc(C#N)c(Cl)s1 ZINC001043228026 680567559 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CWSYGNHLTHQBGD-UHFFFAOYSA-O 1 0 358.512 2.324 20 30 FEEDRO C=C(Cl)CN1CCC[C@@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001007360677 680636724 /nfs/dbraw/zinc/63/67/24/680636724.db2.gz SUYKSDKYTRWYJI-KURKYZTESA-N 1 0 369.937 2.066 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CC2(CO1)CC[NH+](CC(C)C)CC2 ZINC001045678094 680638043 /nfs/dbraw/zinc/63/80/43/680638043.db2.gz KMINJFOMVBMJIC-KSZLIROESA-N 1 0 350.503 2.221 20 30 FEEDRO C=C(Cl)C[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1OCCO[C@H]1C)C2 ZINC001045945531 680642096 /nfs/dbraw/zinc/64/20/96/680642096.db2.gz UZWVGDNKMIHDOZ-XYJFISCASA-N 1 0 356.894 2.247 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCCC[C@@]2(CC[N@@H+](CCOC)C2)C1 ZINC001045974150 680642466 /nfs/dbraw/zinc/64/24/66/680642466.db2.gz ZILIRRGSMVCMCK-BJLQDIEVSA-N 1 0 350.503 2.319 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@H]1C[N@H+](CCC2CCCC2)C[C@@H]1O ZINC001047385253 680661889 /nfs/dbraw/zinc/66/18/89/680661889.db2.gz FCCODSVGQUAWCB-XWSJACJDSA-N 1 0 350.503 2.051 20 30 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1 0 350.503 2.411 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[C@H](C[NH2+]C[C@@H]2CCCOC2)CC1 ZINC001050369226 681046797 /nfs/dbraw/zinc/04/67/97/681046797.db2.gz NAHJBRZHEFALKX-FKSLSLAPSA-N 1 0 350.503 2.269 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[C@H](C[NH2+]Cc2nncs2)CC1 ZINC001050374721 681047004 /nfs/dbraw/zinc/04/70/04/681047004.db2.gz ATHAVZRVFBEISW-JKQORVJESA-N 1 0 364.515 2.284 20 30 FEEDRO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(CNC(=O)OC(C)(C)C)C1 ZINC000844360524 681053896 /nfs/dbraw/zinc/05/38/96/681053896.db2.gz QSVHPPMVJARHAR-DOXZYTNZSA-N 1 0 351.491 2.304 20 30 FEEDRO C#CCC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3ccsc3)C2)CC1 ZINC001052042357 681071003 /nfs/dbraw/zinc/07/10/03/681071003.db2.gz BFBCPLWYRMJNNU-GBESFXJTSA-N 1 0 357.523 2.093 20 30 FEEDRO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)CC1 ZINC001052492914 681079461 /nfs/dbraw/zinc/07/94/61/681079461.db2.gz INHNCIYHWJXTCI-UPJWGTAASA-N 1 0 370.799 2.056 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)NCCc2ccc3c(c2)OC(F)(F)O3)CC1 ZINC000844965823 681095495 /nfs/dbraw/zinc/09/54/95/681095495.db2.gz VODRLWHVBRDSTR-UHFFFAOYSA-N 1 0 350.365 2.012 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1COC2(C[NH+](CCC(C)C)C2)C1 ZINC001053952116 681105739 /nfs/dbraw/zinc/10/57/39/681105739.db2.gz LVAGTMNCTMMIQE-BZSNNMDCSA-N 1 0 350.503 2.363 20 30 FEEDRO N#CC1(CS(=O)(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)CCCCC1 ZINC000772687478 681108265 /nfs/dbraw/zinc/10/82/65/681108265.db2.gz NDQAQMXENSLYNL-QGZVFWFLSA-N 1 0 369.531 2.023 20 30 FEEDRO C[C@@H]1[C@H](C(=O)N2CCC[C@H](Nc3snc(Cl)c3C#N)C2)CC[N@@H+]1C ZINC001057771172 681164229 /nfs/dbraw/zinc/16/42/29/681164229.db2.gz WJRXEEWFCCJYFU-GRYCIOLGSA-N 1 0 367.906 2.411 20 30 FEEDRO C#C[C@@H](CC)NC(=O)C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000845949808 681164498 /nfs/dbraw/zinc/16/44/98/681164498.db2.gz REGGFRWNIXBVTN-HNNXBMFYSA-N 1 0 359.495 2.341 20 30 FEEDRO CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N ZINC000774011562 681164537 /nfs/dbraw/zinc/16/45/37/681164537.db2.gz FYGHTGXDEUKHBP-RDBSUJKOSA-N 1 0 352.479 2.028 20 30 FEEDRO C[C@@H]1[C@H](C(=O)N[C@@H]2CCCN(c3snc(Cl)c3C#N)C2)CC[N@@H+]1C ZINC001058257859 681169612 /nfs/dbraw/zinc/16/96/12/681169612.db2.gz HPFCBYPNVSXABJ-IJLUTSLNSA-N 1 0 367.906 2.093 20 30 FEEDRO C=C(Cl)C(C)(C)C(=O)NCC[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001059732112 681183949 /nfs/dbraw/zinc/18/39/49/681183949.db2.gz JYAGNCNRLJQWFN-VNQPRFMTSA-N 1 0 369.937 2.460 20 30 FEEDRO CO[C@H](C(=O)NC1(C#N)CC[NH+](C)CC1)c1ccccc1C(F)(F)F ZINC000932178477 681188673 /nfs/dbraw/zinc/18/86/73/681188673.db2.gz NFONZIIKCFRTNP-AWEZNQCLSA-N 1 0 355.360 2.497 20 30 FEEDRO C=C(C[NH+](C)C)C(=O)N1CC2CCC1(CNC(=O)OC(C)(C)C)CC2 ZINC000846165989 681192676 /nfs/dbraw/zinc/19/26/76/681192676.db2.gz QDTHPNBXBBREJF-UHFFFAOYSA-N 1 0 351.491 2.400 20 30 FEEDRO COC(=O)/C=C1/SCC(=O)N1CCC[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000775335804 681298857 /nfs/dbraw/zinc/29/88/57/681298857.db2.gz REFWTIAYGIJVDT-VZWMTCDZSA-N 1 0 359.451 2.189 20 30 FEEDRO C[C@H]([NH2+]CCCOc1ccc(C#N)cc1)c1cccc(S(N)(=O)=O)c1 ZINC000775617602 681319209 /nfs/dbraw/zinc/31/92/09/681319209.db2.gz JKGBFUJFWWLHSZ-AWEZNQCLSA-N 1 0 359.451 2.325 20 30 FEEDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)N[C@H](CC#N)C(F)(F)F)[C@@H](C)C1 ZINC000932919449 681328286 /nfs/dbraw/zinc/32/82/86/681328286.db2.gz ISOQYGBMTKINNT-MELADBBJSA-N 1 0 364.412 2.267 20 30 FEEDRO C=CCC[C@H](O)C[NH+]1CCC2(CC1)CN(C(=O)OC(C)(C)C)CCO2 ZINC000933461699 681416238 /nfs/dbraw/zinc/41/62/38/681416238.db2.gz LNCPHIYAONXYCL-INIZCTEOSA-N 1 0 354.491 2.415 20 30 FEEDRO C[N@@H+]1CCN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)CC1(C)C ZINC000848035370 681465860 /nfs/dbraw/zinc/46/58/60/681465860.db2.gz SVAGBXNFEDDXDK-AWEZNQCLSA-N 1 0 352.479 2.126 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CCOC2(CC[NH+](CCC(C)C)CC2)C1 ZINC000949197129 681623977 /nfs/dbraw/zinc/62/39/77/681623977.db2.gz VCCKIVLLJBBIHR-MSOLQXFVSA-N 1 0 350.503 2.317 20 30 FEEDRO CC[NH+](CC)CC#C[C@H](C)OC(=O)[C@H](C(C)C)N1C[C@@H](C)O[C@H](C)C1 ZINC000778686030 681639374 /nfs/dbraw/zinc/63/93/74/681639374.db2.gz SSAKTKRSOXTOOH-MANSERQUSA-N 1 0 352.519 2.397 20 30 FEEDRO CC(C)(C)OC(=O)N1CCN2C(NC[C@@H]3CC3(Cl)Cl)=[NH+]C[C@H]2C1 ZINC000849087266 681651389 /nfs/dbraw/zinc/65/13/89/681651389.db2.gz STEKMSUSQZCDOD-QWRGUYRKSA-N 1 0 363.289 2.061 20 30 FEEDRO CCNC(NC[C@@H](CO)Cc1ccc(C)c(Br)c1)=[NH+]CC ZINC000849110455 681654949 /nfs/dbraw/zinc/65/49/49/681654949.db2.gz YOLDTIQPMWBIRT-AWEZNQCLSA-N 1 0 356.308 2.484 20 30 FEEDRO C[NH+]=C(NCCN1CCOCC1)N[C@H]1C[C@H](c2ccccc2Cl)C1 ZINC000849112927 681656561 /nfs/dbraw/zinc/65/65/61/681656561.db2.gz JKYRNZPJOAJFPR-SHTZXODSSA-N 1 0 350.894 2.083 20 30 FEEDRO C[NH+](C)[C@H]1CCN(c2ccc(NC(=O)C3(C#N)CCSCC3)nc2)C1 ZINC000935008826 681672276 /nfs/dbraw/zinc/67/22/76/681672276.db2.gz STHBXGBCPGBMRZ-HNNXBMFYSA-N 1 0 359.499 2.197 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[NH+](CCC[C@@H]2CCOC2)CC1 ZINC000951595205 681749768 /nfs/dbraw/zinc/74/97/68/681749768.db2.gz XBFOMOZNXDXYLC-QYZOEREBSA-N 1 0 350.503 2.319 20 30 FEEDRO Cc1nc(NC(=O)OC(C)(C)C)sc1C(=O)NCC#CC[NH+](C)C ZINC000913520859 685479282 /nfs/dbraw/zinc/47/92/82/685479282.db2.gz APIZYFZJYTYADG-UHFFFAOYSA-N 1 0 352.460 2.093 20 30 FEEDRO CC(C)(C#N)CS(=O)(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000914017543 685492119 /nfs/dbraw/zinc/49/21/19/685492119.db2.gz DESGXXQAXAUZDC-AWEZNQCLSA-N 1 0 355.529 2.429 20 30 FEEDRO C=C(Cl)C[NH+]1CCC2(CCN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)CC2)CC1 ZINC000957566428 681907636 /nfs/dbraw/zinc/90/76/36/681907636.db2.gz PJGGOLKICIZOSX-IAGOWNOFSA-N 1 0 369.937 2.163 20 30 FEEDRO Cc1cc(C#N)cc(C)c1CS(=O)(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000914168190 685496894 /nfs/dbraw/zinc/49/68/94/685496894.db2.gz CUGSPQDJFRNUCS-KRWDZBQOSA-N 1 0 361.511 2.423 20 30 FEEDRO C=CCSCCNC(=O)N[C@@H]1C[C@]2(C[N@@H+](CC)[C@H]2C(C)C)C[C@H]1O ZINC000915205025 685513100 /nfs/dbraw/zinc/51/31/00/685513100.db2.gz LFKOWYMYVCNRJS-XLMAVXFVSA-N 1 0 355.548 2.075 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CCc3scnc3C)C[C@H]21 ZINC000962024417 682107286 /nfs/dbraw/zinc/10/72/86/682107286.db2.gz OZUWCQQGGMFPSW-DTJSUFBGSA-N 1 0 361.511 2.022 20 30 FEEDRO C=C(Br)CNC(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000852013667 682203319 /nfs/dbraw/zinc/20/33/19/682203319.db2.gz HRLSHECCSFOYOX-UHFFFAOYSA-N 1 0 360.296 2.085 20 30 FEEDRO C#C[C@@](C)(CC)[NH2+]Cc1nc2cc(S(=O)(=O)N(CC)CC)ccc2[nH]1 ZINC000852100175 682219901 /nfs/dbraw/zinc/21/99/01/682219901.db2.gz FWEJGKYAFMETNU-SFHVURJKSA-N 1 0 362.499 2.485 20 30 FEEDRO C[NH+](C)CCN1CCC(Nc2cc(Br)cnc2C#N)CC1 ZINC000853157083 682384462 /nfs/dbraw/zinc/38/44/62/682384462.db2.gz GUWUVQFRXCNJTJ-UHFFFAOYSA-N 1 0 352.280 2.154 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)c2nc(Br)ccc2C)CC1 ZINC000787022686 682430981 /nfs/dbraw/zinc/43/09/81/682430981.db2.gz RLMYYVGIRGVDHS-UHFFFAOYSA-N 1 0 350.260 2.370 20 30 FEEDRO C[NH+](C)CCn1cc(NC(=O)C#Cc2ccc(C(F)(F)F)cc2)cn1 ZINC000790551768 682685064 /nfs/dbraw/zinc/68/50/64/682685064.db2.gz NSLFAEZIDGYECV-UHFFFAOYSA-N 1 0 350.344 2.454 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2nc(Cl)sc2Cl)c1C#N ZINC000856826016 682816832 /nfs/dbraw/zinc/81/68/32/682816832.db2.gz PSNPKKRYUPVHLC-UHFFFAOYSA-N 1 0 359.242 2.449 20 30 FEEDRO CC(C)(C)OC(=O)[C@]1(C)CC[N@H+](C[C@H](O)CC2(C#N)CCOCC2)C1 ZINC000859328182 683085273 /nfs/dbraw/zinc/08/52/73/683085273.db2.gz AVNONCCSVHFJQZ-CRAIPNDOSA-N 1 0 352.475 2.111 20 30 FEEDRO CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)c1ccc(Cl)c(C#N)c1)C2 ZINC000926168444 683086817 /nfs/dbraw/zinc/08/68/17/683086817.db2.gz YGHLAWHXBCAQEN-VXIBKDFQSA-N 1 0 361.873 2.421 20 30 FEEDRO C#CCN(C(=O)NC[C@H]1CCC[C@@H](C(F)(F)F)O1)C1CC[NH+](C)CC1 ZINC000926402607 683120814 /nfs/dbraw/zinc/12/08/14/683120814.db2.gz JSNRGBYQLZCPOX-CABCVRRESA-N 1 0 361.408 2.225 20 30 FEEDRO C=CCN1CC[C@H]([NH2+][C@@H]2[C@H](C)CCN(C(=O)OC(C)(C)C)[C@H]2C)C1=O ZINC000796647057 683180815 /nfs/dbraw/zinc/18/08/15/683180815.db2.gz BMURYJUILHGUET-FXUDXRNXSA-N 1 0 351.491 2.397 20 30 FEEDRO CCOC(=O)C(F)(F)[C@@H]1CC[C@@H]([NH2+]CCNc2ccc(C#N)cn2)C1 ZINC000927164271 683213605 /nfs/dbraw/zinc/21/36/05/683213605.db2.gz OGSYXLLMRSLGQH-ZIAGYGMSSA-N 1 0 352.385 2.322 20 30 FEEDRO C#CC[N@H+]1CCC[C@@H]1COC(=O)[C@@H]1CCCn2cc(C(F)(F)F)nc21 ZINC000860529680 683256231 /nfs/dbraw/zinc/25/62/31/683256231.db2.gz KEFKOAPDDUMOQY-CHWSQXEVSA-N 1 0 355.360 2.420 20 30 FEEDRO N#Cc1cc(S(N)(=O)=O)ccc1NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000797840431 683279906 /nfs/dbraw/zinc/27/99/06/683279906.db2.gz MDKDMAYCHWOKLO-MRXNPFEDSA-N 1 0 362.499 2.415 20 30 FEEDRO CCCCCCCS(=O)(=O)N[C@@H]1C[C@@]2(C[N@H+](C)[C@@H]2C(C)C)C[C@H]1O ZINC000920274163 683328229 /nfs/dbraw/zinc/32/82/29/683328229.db2.gz MMXZJJLTAMFUSO-TVFCKZIOSA-N 1 0 360.564 2.356 20 30 FEEDRO C[C@H]1CN(C(=O)C(=O)Nc2scc(C(C)(C)C)c2C#N)CC[C@H]1C[NH3+] ZINC000927890153 683334634 /nfs/dbraw/zinc/33/46/34/683334634.db2.gz GAOKCCSKWCDEMM-RYUDHWBXSA-N 1 0 362.499 2.299 20 30 FEEDRO N#Cc1cc(F)cc(C2(C(=O)N[C@H]3CCC[N@@H+]4CCSC[C@H]34)CC2)c1 ZINC000928080945 683372958 /nfs/dbraw/zinc/37/29/58/683372958.db2.gz NBZYNXJHAJIQLX-DLBZAZTESA-N 1 0 359.470 2.425 20 30 FEEDRO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCC(CNC(=O)C(F)(F)F)CC1 ZINC000799174229 683432971 /nfs/dbraw/zinc/43/29/71/683432971.db2.gz LHMXDDRBRASACT-CYBMUJFWSA-N 1 0 363.424 2.190 20 30 FEEDRO C#CCC[C@H](O)CNC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000799212322 683436557 /nfs/dbraw/zinc/43/65/57/683436557.db2.gz XGHXELBGXQNLEW-SFHVURJKSA-N 1 0 361.511 2.174 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)N[C@H]2CCN(c3cccc(Cl)c3)C2)CC1 ZINC000921357992 683439650 /nfs/dbraw/zinc/43/96/50/683439650.db2.gz WCPNBHUXXUAEIA-KRWDZBQOSA-N 1 0 360.889 2.316 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)CCC(C)(C)NC(=O)OC(C)(C)C)CC1 ZINC000928655802 683482199 /nfs/dbraw/zinc/48/21/99/683482199.db2.gz ZHBXZFWPOODOEH-UHFFFAOYSA-N 1 0 351.491 2.284 20 30 FEEDRO N#Cc1ccc(Br)c(CNC[C@@H](O)C[NH+]2CCCCC2)c1 ZINC000921586308 683510886 /nfs/dbraw/zinc/51/08/86/683510886.db2.gz JHZMMQFIHZKNQU-OAHLLOKOSA-N 1 0 352.276 2.257 20 30 FEEDRO C#CCN(C(=O)N[C@@H]1CC[C@@H]2SCCS[C@H]12)C1CC[NH+](C)CC1 ZINC000921701966 683548889 /nfs/dbraw/zinc/54/88/89/683548889.db2.gz VOUSIHWCUGKPAK-OWCLPIDISA-N 1 0 353.557 2.105 20 30 FEEDRO N#Cc1cc(C[NH2+]CC2CCN(S(=O)(=O)C(F)(F)F)CC2)cs1 ZINC000921728642 683558817 /nfs/dbraw/zinc/55/88/17/683558817.db2.gz CSHUPVNOBMGGQO-UHFFFAOYSA-N 1 0 367.418 2.271 20 30 FEEDRO N#CC1(C[C@@H](O)C[NH2+]C[C@H](O)c2cc(F)cc(Cl)c2)CCOCC1 ZINC000863562926 683742726 /nfs/dbraw/zinc/74/27/26/683742726.db2.gz NGQZUXFDSWPJHA-CVEARBPZSA-N 1 0 356.825 2.173 20 30 FEEDRO C=C(C)CCNC(=O)NCC[NH+]1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000922705519 683769087 /nfs/dbraw/zinc/76/90/87/683769087.db2.gz LKRAXNYZFHAAMA-UHFFFAOYSA-N 1 0 354.495 2.241 20 30 FEEDRO N#CCc1ccsc1C(=O)NC[C@H]1CN(Cc2ccccc2)CCO1 ZINC000864613949 683873280 /nfs/dbraw/zinc/87/32/80/683873280.db2.gz LWACOZRGGCLFTC-KRWDZBQOSA-N 1 0 355.463 2.445 20 30 FEEDRO N#Cc1cc(F)cc(S(=O)(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000866994069 684193210 /nfs/dbraw/zinc/19/32/10/684193210.db2.gz OCFLDBIUJSZOPU-KDOFPFPSSA-N 1 0 363.458 2.335 20 30 FEEDRO C#CCN(C(=O)NCc1cnccc1C(F)(F)F)C1CC[NH+](C)CC1 ZINC000923363826 684269243 /nfs/dbraw/zinc/26/92/43/684269243.db2.gz ZIOIHGKUSQHKKM-UHFFFAOYSA-N 1 0 354.376 2.339 20 30 FEEDRO C=CCSc1ccccc1NC(=O)CN1CCC(O)(C[NH+](C)C)CC1 ZINC000931487122 684291385 /nfs/dbraw/zinc/29/13/85/684291385.db2.gz RUQBSTDZZYMIJM-UHFFFAOYSA-N 1 0 363.527 2.292 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2C[C@@H](CC[NH3+])Cc3ccccc32)cc1F ZINC000923748350 684346191 /nfs/dbraw/zinc/34/61/91/684346191.db2.gz LUSWIDXPEQFUEI-ZDUSSCGKSA-N 1 0 359.426 2.414 20 30 FEEDRO C[NH+]1CCC(OCC(=O)OCc2ccc(C#N)cc2Br)CC1 ZINC000923789417 684350458 /nfs/dbraw/zinc/35/04/58/684350458.db2.gz RJSONHDSVKYJSL-UHFFFAOYSA-N 1 0 367.243 2.475 20 30 FEEDRO C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)c3ccc(C(F)(F)F)c(C#N)c3)CC[C@H]21 ZINC000867806604 684393941 /nfs/dbraw/zinc/39/39/41/684393941.db2.gz GXSUNPWZOUGVQJ-IAQYHMDHSA-N 1 0 373.400 2.292 20 30 FEEDRO C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CN(Cc2ccccc2)C[C@H]1C(F)(F)F ZINC000932070009 684401233 /nfs/dbraw/zinc/40/12/33/684401233.db2.gz XVWYWYRXSHFLSF-NUEKZKHPSA-N 1 0 355.404 2.330 20 30 FEEDRO C[C@]1(C2CC[NH+](CCC(=O)Nc3sccc3C#N)CC2)COC(=O)N1 ZINC000932088794 684404873 /nfs/dbraw/zinc/40/48/73/684404873.db2.gz HCUMOTYAOXLIMW-QGZVFWFLSA-N 1 0 362.455 2.159 20 30 FEEDRO C=CCn1c(Cc2nc(C)cs2)nnc1N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000871050138 684782392 /nfs/dbraw/zinc/78/23/92/684782392.db2.gz GSAAVZMQPARRHD-HUUCEWRRSA-N 1 0 358.515 2.350 20 30 FEEDRO N#Cc1cc(F)cc(S(=O)(=O)N[C@H]2CCCCC23CC[NH2+]CC3)c1 ZINC000871819091 684862803 /nfs/dbraw/zinc/86/28/03/684862803.db2.gz RCQZIBUINZKJQD-INIZCTEOSA-N 1 0 351.447 2.288 20 30 FEEDRO CSC1([C@H](C#N)N(C)S(=O)(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000872009327 684914017 /nfs/dbraw/zinc/91/40/17/684914017.db2.gz KRKAPENEYKVZGS-HNNXBMFYSA-N 1 0 353.513 2.156 20 30 FEEDRO COCCN(CC1CC[NH+](C)CC1)C(=O)NCC1CCC(C#N)CC1 ZINC000875557306 686038330 /nfs/dbraw/zinc/03/83/30/686038330.db2.gz BTRYKTBKFRCIMX-UHFFFAOYSA-N 1 0 350.507 2.316 20 30 FEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1ccccc1C(=O)NC[C@H]1CCCO1 ZINC000876568211 686221302 /nfs/dbraw/zinc/22/13/02/686221302.db2.gz VVKASCHNSYEAFQ-TZMCWYRMSA-N 1 0 351.834 2.004 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)Nc1ccccc1C(=O)NC[C@H]1CCCO1 ZINC000876568209 686221471 /nfs/dbraw/zinc/22/14/71/686221471.db2.gz VVKASCHNSYEAFQ-OCCSQVGLSA-N 1 0 351.834 2.004 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NC1CCN(C(=O)c2ccccc2F)CC1 ZINC000876581363 686223759 /nfs/dbraw/zinc/22/37/59/686223759.db2.gz HMJRBURKKWXDTI-HNNXBMFYSA-N 1 0 353.825 2.016 20 30 FEEDRO N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)NC[C@H](O)c1ccccc1Cl ZINC000876587079 686224907 /nfs/dbraw/zinc/22/49/07/686224907.db2.gz GJCBAAACBGAJBJ-ROUUACIJSA-N 1 0 355.825 2.248 20 30 FEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1cccc(C(=O)NCCCOCC)c1 ZINC000876588319 686225186 /nfs/dbraw/zinc/22/51/86/686225186.db2.gz DZGJPLADLTYCEA-OAHLLOKOSA-N 1 0 353.850 2.251 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NCc1cccc(NC(=O)N2CCCC2)c1 ZINC000876611277 686228581 /nfs/dbraw/zinc/22/85/81/686228581.db2.gz BSIQYMNDLQGNGW-HNNXBMFYSA-N 1 0 350.850 2.400 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC(C(=O)NCCc2cccs2)CC1 ZINC000876628475 686231659 /nfs/dbraw/zinc/23/16/59/686231659.db2.gz JYPMKWXLPGDFHB-HNNXBMFYSA-N 1 0 369.918 2.115 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)Nc1ccc(C(=O)NC2CCOCC2)cc1 ZINC000876691799 686244292 /nfs/dbraw/zinc/24/42/92/686244292.db2.gz QLPWIIVAIUGSRD-HNNXBMFYSA-N 1 0 351.834 2.004 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)Nc1nc(CN2C[C@@H](C)O[C@H](C)C2)cs1 ZINC000876716972 686252302 /nfs/dbraw/zinc/25/23/02/686252302.db2.gz RTUUHYGDZRPJGL-WZRBSPASSA-N 1 0 358.895 2.161 20 30 FEEDRO CCSc1ccc(CC(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)c(Br)c1 ZINC000876802247 686271531 /nfs/dbraw/zinc/27/15/31/686271531.db2.gz NIZDOGHXWRQDEW-SMDDNHRTSA-N 1 0 368.300 2.331 20 30 FEEDRO C=CCS(=O)(=O)CC[NH2+][C@@H]1C[C@H](NC(=O)OC(C)(C)C)C12CCC2 ZINC000877194328 686338499 /nfs/dbraw/zinc/33/84/99/686338499.db2.gz IGGFKHVZEUIGAP-KGLIPLIRSA-N 1 0 358.504 2.013 20 30 FEEDRO CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2cc(C#N)ccc2N(C)C)C1 ZINC000877608213 686421901 /nfs/dbraw/zinc/42/19/01/686421901.db2.gz RMYWAQHXWOZHAP-INIZCTEOSA-N 1 0 354.376 2.125 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1ccc2c(c1)SCC(=O)N2 ZINC000880793617 687084259 /nfs/dbraw/zinc/08/42/59/687084259.db2.gz ROHAUAQMFPWNCF-UHFFFAOYSA-N 1 0 361.471 2.430 20 30 FEEDRO CC1([NH+]2CCC2)CCN(S(=O)(=O)Cc2cc(C#N)ccc2F)CC1 ZINC000882768816 687479650 /nfs/dbraw/zinc/47/96/50/687479650.db2.gz UEJMJYMCOMQVPH-UHFFFAOYSA-N 1 0 351.447 2.087 20 30 FEEDRO C[C@@H]1C[C@H](NC(=O)Nc2ccc(Br)c(C#N)n2)CC[N@@H+]1C ZINC000883092289 687562316 /nfs/dbraw/zinc/56/23/16/687562316.db2.gz LDQQLSXLZLHLMR-NXEZZACHSA-N 1 0 352.236 2.320 20 30 FEEDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)Nc1ccc(Br)c(C#N)n1 ZINC000883096604 687563457 /nfs/dbraw/zinc/56/34/57/687563457.db2.gz MAEWWFSYGZNHJO-ZANVPECISA-N 1 0 364.247 2.320 20 30 FEEDRO N#C[C@H]1C[NH2+]CC12CC(C(=O)NCc1cc(F)ccc1Br)C2 ZINC000884069856 687783026 /nfs/dbraw/zinc/78/30/26/687783026.db2.gz QVGCUPYMIPZPSP-BGMSHATGSA-N 1 0 366.234 2.344 20 30 FEEDRO N#C[C@@H]1C[NH2+]CC12CC(C(=O)NCc1c(F)cccc1OC(F)F)C2 ZINC000884168470 687806978 /nfs/dbraw/zinc/80/69/78/687806978.db2.gz GJNLVWJGBXEFDN-VVHFOWEKSA-N 1 0 353.344 2.183 20 30 FEEDRO N#C[C@H]1C[NH2+]CC12CC(C(=O)N1CCO[C@@H](c3cccc(Cl)c3)C1)C2 ZINC000884316400 687845575 /nfs/dbraw/zinc/84/55/75/687845575.db2.gz RGHFIXXKWMCGMW-HLCARVAJSA-N 1 0 359.857 2.379 20 30 FEEDRO N#C[C@H]1C[NH2+]CC12CC(C(=O)NCc1ccc(OC(F)F)cc1F)C2 ZINC000884468628 687876671 /nfs/dbraw/zinc/87/66/71/687876671.db2.gz IMTNFNSIXPTFIH-JKGQDXBKSA-N 1 0 353.344 2.183 20 30 FEEDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2S(=O)(=O)Cc1cc(C#N)ccc1F ZINC000885456627 688076773 /nfs/dbraw/zinc/07/67/73/688076773.db2.gz BOFWTZVMTYHSTA-CVEARBPZSA-N 1 0 351.447 2.086 20 30 FEEDRO C#CCN(C(=O)c1nn(C(C)C)cc1Br)C1CC[NH+](C)CC1 ZINC000886572244 688278343 /nfs/dbraw/zinc/27/83/43/688278343.db2.gz DOEOMJDDYAHWRJ-UHFFFAOYSA-N 1 0 367.291 2.396 20 30 FEEDRO C#CCN(C(=O)c1cncc(Br)c1C)C1CC[NH+](C)CC1 ZINC000886573663 688278414 /nfs/dbraw/zinc/27/84/14/688278414.db2.gz QQPALQXCGGOJHP-UHFFFAOYSA-N 1 0 350.260 2.322 20 30 FEEDRO C#CCN(C(=O)c1cc(Br)c(C)[nH]c1=O)C1CC[NH+](C)CC1 ZINC000886578924 688279454 /nfs/dbraw/zinc/27/94/54/688279454.db2.gz RIVDOPWDNULHCM-UHFFFAOYSA-N 1 0 366.259 2.028 20 30 FEEDRO C#CCN(C(=O)[C@H](C)CN(C)C(=O)OC(C)(C)C)C1CC[NH+](C)CC1 ZINC000886581145 688279592 /nfs/dbraw/zinc/27/95/92/688279592.db2.gz LBVCAMZZZWBOSO-OAHLLOKOSA-N 1 0 351.491 2.045 20 30 FEEDRO C#CCN(C(=O)CCc1nc(-c2ccsc2)no1)C1CC[NH+](C)CC1 ZINC000886587450 688280252 /nfs/dbraw/zinc/28/02/52/688280252.db2.gz WZDZZIIJYRHNLA-UHFFFAOYSA-N 1 0 358.467 2.287 20 30 FEEDRO COC[C@H]([NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1)[C@@H]1CCCOC1 ZINC000886910123 688339511 /nfs/dbraw/zinc/33/95/11/688339511.db2.gz LRJAKDUCEUENFQ-CJNGLKHVSA-N 1 0 351.834 2.181 20 30 FEEDRO COC[C@@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1C#N)[C@@H]1CCCOC1 ZINC000886910902 688339536 /nfs/dbraw/zinc/33/95/36/688339536.db2.gz XNDVJNPEIRXLHG-CZUORRHYSA-N 1 0 351.834 2.181 20 30 FEEDRO C#CCC1([NH2+]CC(=O)NCc2ccc(OC(F)F)cc2)CCOCC1 ZINC000887126107 688370226 /nfs/dbraw/zinc/37/02/26/688370226.db2.gz WRHMMVUMVJJIRP-UHFFFAOYSA-N 1 0 352.381 2.066 20 30 FEEDRO C[NH+](C)CCn1cc(C(=O)Nc2ccc(Br)c(C#N)c2)cn1 ZINC000887994620 688532364 /nfs/dbraw/zinc/53/23/64/688532364.db2.gz CYZJSNOVFOEWLR-UHFFFAOYSA-N 1 0 362.231 2.331 20 30 FEEDRO C=C(C[NH+](C)C)C(=O)NC1(C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000889650465 688802005 /nfs/dbraw/zinc/80/20/05/688802005.db2.gz VYORWBWIWNCQTE-UHFFFAOYSA-N 1 0 351.491 2.400 20 30 FEEDRO C=CCOc1ccccc1CNC(=O)N1CCc2sc(C[NH3+])nc2C1 ZINC000891540819 689075509 /nfs/dbraw/zinc/07/55/09/689075509.db2.gz YEBGGCCXDWVLRI-UHFFFAOYSA-N 1 0 358.467 2.435 20 30 FEEDRO CN(Cc1cc(C#N)cs1)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000892837066 689251061 /nfs/dbraw/zinc/25/10/61/689251061.db2.gz VXTBCUAYYDAPFR-UHFFFAOYSA-N 1 0 362.499 2.406 20 30 FEEDRO N#Cc1csc(CNC(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000894516369 689545774 /nfs/dbraw/zinc/54/57/74/689545774.db2.gz JDTHVTXFIOICHH-OAHLLOKOSA-N 1 0 355.467 2.336 20 30 FEEDRO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+][C@H]1CCCN(O)C1=O ZINC000895162721 689669811 /nfs/dbraw/zinc/66/98/11/689669811.db2.gz NEQUSCCWOUATJZ-PWSUYJOCSA-N 1 0 355.822 2.036 20 30 FEEDRO CCOc1cc(C[NH2+][C@H]2CCCN(O)C2=O)ccc1OCC(F)(F)F ZINC000895167445 689670446 /nfs/dbraw/zinc/67/04/46/689670446.db2.gz WIJSDDIYFPRHSJ-LBPRGKRZSA-N 1 0 362.348 2.496 20 30 FEEDRO COC(=O)[C@H]1[C@@H](C[NH2+]C2(c3ccc(C#N)cc3)CCOCC2)C1(F)F ZINC000895405576 689710669 /nfs/dbraw/zinc/71/06/69/689710669.db2.gz LKGAKIMQTGFGPP-HUUCEWRRSA-N 1 0 350.365 2.208 20 30 FEEDRO C#CCSCC(=O)NC1CC[NH+](CCOc2ccc(F)cc2)CC1 ZINC000896491229 689881120 /nfs/dbraw/zinc/88/11/20/689881120.db2.gz TUEKPQKMWPTBPY-UHFFFAOYSA-N 1 0 350.459 2.152 20 30 FEEDRO N#Cc1cc(Br)cnc1NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000896521429 689884604 /nfs/dbraw/zinc/88/46/04/689884604.db2.gz DKISSSBVTYFIFH-AWEZNQCLSA-N 1 0 351.248 2.381 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)C[C@H]1CCC2(CCOCC2)CO1 ZINC000896889510 689944459 /nfs/dbraw/zinc/94/44/59/689944459.db2.gz AQBRCIBTKRZEMU-QGZVFWFLSA-N 1 0 351.491 2.046 20 30 FEEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1CCN(c2cn[nH]c(=O)c2Cl)C1 ZINC000898369305 690168697 /nfs/dbraw/zinc/16/86/97/690168697.db2.gz VETFYZOUVDYKKT-QWHCGFSZSA-N 1 0 365.865 2.103 20 30 FEEDRO N#Cc1ccc(NC(=S)N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)cc1Cl ZINC000899663762 690401564 /nfs/dbraw/zinc/40/15/64/690401564.db2.gz GCOSOXJMTVHSSY-HZPDHXFCSA-N 1 0 364.902 2.439 20 30 FEEDRO C[NH+](C)CCOC1CCN(C(=O)C(F)(F)c2ccccc2C#N)CC1 ZINC000900681970 690547468 /nfs/dbraw/zinc/54/74/68/690547468.db2.gz NJBDARPTPQVAFK-UHFFFAOYSA-N 1 0 351.397 2.219 20 30 FEEDRO C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 ZINC000900788458 690561906 /nfs/dbraw/zinc/56/19/06/690561906.db2.gz BACKOSAZNFGAIH-HNAYVOBHSA-N 1 0 355.463 2.358 20 30 FEEDRO C=CCC[C@H]([NH2+]CCS(=O)(=O)C1CCOCC1)[C@@]1(C)CCCCO1 ZINC000903007557 690830116 /nfs/dbraw/zinc/83/01/16/690830116.db2.gz BYZIYMWRFOOKGJ-ZWKOTPCHSA-N 1 0 359.532 2.464 20 30 FEEDRO CC(C)[C@H]([NH3+])CCN(C)S(=O)(=O)c1ccc(Br)c(C#N)c1 ZINC000903485632 690898914 /nfs/dbraw/zinc/89/89/14/690898914.db2.gz BMHJWQSYNARESZ-CQSZACIVSA-N 1 0 374.304 2.315 20 30 FEEDRO C[C@@H](CCCC[NH3+])NS(=O)(=O)c1ccc(Br)c(C#N)c1 ZINC000903498209 690901547 /nfs/dbraw/zinc/90/15/47/690901547.db2.gz CDNMXBAXYNNVLQ-JTQLQIEISA-N 1 0 360.277 2.117 20 30 FEEDRO N#Cc1cc(S(=O)(=O)N[C@H]2CC[C@H](C[NH3+])CC2)ccc1Br ZINC000903516769 690907556 /nfs/dbraw/zinc/90/75/56/690907556.db2.gz ZAYHQBNYIGOBLD-UMSPYCQHSA-N 1 0 372.288 2.117 20 30 FEEDRO Cc1cc(C#N)cc(C)c1CS(=O)(=O)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000903522255 690910136 /nfs/dbraw/zinc/91/01/36/690910136.db2.gz QTXKLEREBQOFRE-PKOBYXMFSA-N 1 0 361.511 2.469 20 30 FEEDRO CC(C)(C#N)c1ccc(S(=O)(=O)N[C@@H]2Cc3ccccc3[C@H]2[NH3+])cc1 ZINC000903549582 690922000 /nfs/dbraw/zinc/92/20/00/690922000.db2.gz GNJWWIIBMYBPKM-QZTJIDSGSA-N 1 0 355.463 2.391 20 30 FEEDRO C[C@@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)C[C@H]1CC[NH3+] ZINC000903557853 690923647 /nfs/dbraw/zinc/92/36/47/690923647.db2.gz DWGBZOQIBPBQAB-GHMZBOCLSA-N 1 0 361.389 2.182 20 30 FEEDRO N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)n1 ZINC000904417057 691026204 /nfs/dbraw/zinc/02/62/04/691026204.db2.gz YDGVNDUUZPJNEJ-BFHYXJOUSA-N 1 0 356.817 2.412 20 30 FEEDRO C[C@](O)(C[NH2+]Cc1cnn(CC(F)(F)F)c1)C(F)(F)C(F)(F)F ZINC000905167886 691075826 /nfs/dbraw/zinc/07/58/26/691075826.db2.gz WLNLFEASUNMIOH-QMMMGPOBSA-N 1 0 355.229 2.484 20 30 FEEDRO N#Cc1ccc(CS(=O)(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)cc1 ZINC000905362831 691109119 /nfs/dbraw/zinc/10/91/19/691109119.db2.gz VSWHLRRRKVBILK-UHFFFAOYSA-N 1 0 359.495 2.131 20 30 FEEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+]C[C@@H]2CC[C@H](C(F)(F)F)O2)c1 ZINC000905516025 691129897 /nfs/dbraw/zinc/12/98/97/691129897.db2.gz IVLQGGMDGZTAME-GXTWGEPZSA-N 1 0 362.373 2.031 20 30 FEEDRO CC(C)(C)c1csc(NC(=O)C(=O)N[C@]23CCC[C@H]2C[NH2+]C3)c1C#N ZINC000906781722 691315265 /nfs/dbraw/zinc/31/52/65/691315265.db2.gz JIDCCLWPHYUKMT-VOJFVSQTSA-N 1 0 360.483 2.114 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)nc1 ZINC000906808042 691319599 /nfs/dbraw/zinc/31/95/99/691319599.db2.gz PMEYDSGGPMLWPT-KRWDZBQOSA-N 1 0 356.451 2.069 20 30 FEEDRO C#Cc1ccc(S(=O)(=O)NCC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000907093585 691392666 /nfs/dbraw/zinc/39/26/66/691392666.db2.gz ZMSGGEKYNINZGL-UHFFFAOYSA-N 1 0 355.463 2.258 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)N1CCN(c2ncnc3sc(C)cc32)CC1 ZINC000907587504 691523093 /nfs/dbraw/zinc/52/30/93/691523093.db2.gz ISJSURHYJSKWOP-UHFFFAOYSA-N 1 0 359.499 2.156 20 30 FEEDRO C[N@@H+]1CCO[C@@H]2CN(c3ccc(COc4ccc(CC#N)cc4)cn3)C[C@H]21 ZINC001164673105 719449255 /nfs/dbraw/zinc/44/92/55/719449255.db2.gz SJZWFFUAVVMNCP-WOJBJXKFSA-N 1 0 364.449 2.246 20 30 FEEDRO CC(C)N(C)Cc1nn(-c2nc(Cl)c(F)cc2C#N)c2c1CC[NH2+]C2 ZINC001164684241 719602978 /nfs/dbraw/zinc/60/29/78/719602978.db2.gz NUFQKRCTCWMWBR-UHFFFAOYSA-N 1 0 362.840 2.417 20 30 FEEDRO Cc1ccc(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc1C#N ZINC001164819662 720315603 /nfs/dbraw/zinc/31/56/03/720315603.db2.gz FQNAVKDYMCPJQT-RBUKOAKNSA-N 1 0 367.497 2.173 20 30 FEEDRO CC(C)c1ccc(C#N)c(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164742268 720630770 /nfs/dbraw/zinc/63/07/70/720630770.db2.gz MJSRXIBFVYPXMV-SJORKVTESA-N 1 0 364.453 2.209 20 30 FEEDRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4cc(C#N)cc(Cl)n4)C[C@H]3C2)cn1 ZINC001164766558 721069508 /nfs/dbraw/zinc/06/95/08/721069508.db2.gz KUGYLIRIJBNNLI-HZPDHXFCSA-N 1 0 356.861 2.298 20 30 FEEDRO Cc1cc(C#N)c(N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@H]3C2)nc1C ZINC001164764234 721111610 /nfs/dbraw/zinc/11/16/10/721111610.db2.gz HLRLWWOUKOROGR-HKUYNNGSSA-N 1 0 350.470 2.262 20 30 FEEDRO Cc1cc(N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)ncc1C#N ZINC001164892492 721404270 /nfs/dbraw/zinc/40/42/70/721404270.db2.gz YKPSUCLYMANKFH-TZIWHRDSSA-N 1 0 369.513 2.027 20 30 FEEDRO COc1ccnc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c1C#N ZINC001164902677 721526879 /nfs/dbraw/zinc/52/68/79/721526879.db2.gz AYTRJPIUEHYCPQ-NVXWUHKLSA-N 1 0 368.412 2.443 20 30 FEEDRO N#CCc1cncc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164903037 721549497 /nfs/dbraw/zinc/54/94/97/721549497.db2.gz BVLPVOLUVBLLDF-SJLPKXTDSA-N 1 0 353.401 2.024 20 30 FEEDRO N#Cc1cnc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)cn1 ZINC001164907483 721587531 /nfs/dbraw/zinc/58/75/31/721587531.db2.gz UFGCDWAOPMVGDY-GOSISDBHSA-N 1 0 370.407 2.481 20 30 FEEDRO N#Cc1cnc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c(F)c1 ZINC001164978925 722132830 /nfs/dbraw/zinc/13/28/30/722132830.db2.gz LAWOJQJAGMRFRW-PKOBYXMFSA-N 1 0 367.428 2.215 20 30 FEEDRO N#Cc1ccc(-n2ccc(NC(=O)NC3(C[NH3+])CCOCC3)n2)c(Cl)c1 ZINC000528688376 829520282 /nfs/dbraw/zinc/52/02/82/829520282.db2.gz RMTBMBHFFHTLRY-UHFFFAOYSA-N 1 0 374.832 2.027 20 30 FEEDRO CO[C@@H](C)c1nc(CN2CCC[N@H+](CCOCCC#N)CC2)cs1 ZINC000549470668 674043599 /nfs/dbraw/zinc/04/35/99/674043599.db2.gz DLXIDLFPXHATMP-HNNXBMFYSA-N 1 0 352.504 2.288 20 30 FEEDRO N#Cc1ccc(NC(=O)CC[NH+]2CCN(c3ccccc3O)CC2)cc1 ZINC000026218622 539780045 /nfs/dbraw/zinc/78/00/45/539780045.db2.gz YKYAHRNVFVUXQO-UHFFFAOYSA-N 1 0 350.422 2.415 20 30 FEEDRO N#Cc1ccc(C[N@H+]2CCCN(CC(=O)NC(C3CC3)C3CC3)CC2)cc1 ZINC000028154988 539826960 /nfs/dbraw/zinc/82/69/60/539826960.db2.gz YIKMAPJIWSGAOD-UHFFFAOYSA-N 1 0 366.509 2.371 20 30 FEEDRO Cc1cc(NC(=O)CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)no1 ZINC000028961185 539840063 /nfs/dbraw/zinc/84/00/63/539840063.db2.gz ISCFODIAJADZES-UHFFFAOYSA-N 1 0 353.426 2.001 20 30 FEEDRO CC(C)C[C@@H](CNC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+](C)C ZINC000041322306 540017057 /nfs/dbraw/zinc/01/70/57/540017057.db2.gz KZXJNBXDEPHKSJ-AWEZNQCLSA-N 1 0 350.850 2.243 20 30 FEEDRO CC[NH+](CC)[C@@H](CNC(=O)C(=O)Nc1cccc(OCC#N)c1)CC(C)C ZINC000041334582 540017637 /nfs/dbraw/zinc/01/76/37/540017637.db2.gz ZZWIEQFPHKYWPD-QGZVFWFLSA-N 1 0 374.485 2.400 20 30 FEEDRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)C(=O)Nc2ccc(C#N)cc2)C1 ZINC000041791327 540033001 /nfs/dbraw/zinc/03/30/01/540033001.db2.gz ZPVBHOQJOGIEDR-HOTGVXAUSA-N 1 0 356.470 2.371 20 30 FEEDRO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000042132653 540052864 /nfs/dbraw/zinc/05/28/64/540052864.db2.gz RNLNZCYKFZXHKH-KGLIPLIRSA-N 1 0 356.426 2.408 20 30 FEEDRO C=CCN(CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1)Cc1ccccc1 ZINC000045796815 540228175 /nfs/dbraw/zinc/22/81/75/540228175.db2.gz XTAYVHDEIMYQBS-HXUWFJFHSA-N 1 0 359.514 2.148 20 30 FEEDRO C[C@H](Cn1ccnc1)NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000047028743 540285566 /nfs/dbraw/zinc/28/55/66/540285566.db2.gz KHXMSDZUKSCAEJ-QGZVFWFLSA-N 1 0 366.469 2.061 20 30 FEEDRO C=CCNC(=O)c1ccc(NC(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000048159961 540348370 /nfs/dbraw/zinc/34/83/70/540348370.db2.gz VNOZRYXUOMYPMI-IYBDPMFKSA-N 1 0 374.485 2.223 20 30 FEEDRO C=CCOc1ccccc1C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000048329053 540357429 /nfs/dbraw/zinc/35/74/29/540357429.db2.gz ZGAFYNSSTKDMOL-UHFFFAOYSA-N 1 0 366.465 2.328 20 30 FEEDRO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccc(C#N)cc1)c1cccc(F)c1 ZINC000048843233 540374910 /nfs/dbraw/zinc/37/49/10/540374910.db2.gz ORLSPOXLHQNTGZ-QGZVFWFLSA-N 1 0 354.385 2.055 20 30 FEEDRO CN1CCC([NH+]2CCC(NC(=O)/C=C/c3cccc(C#N)c3)CC2)CC1 ZINC000050798656 540414457 /nfs/dbraw/zinc/41/44/57/540414457.db2.gz QSLHNJQDMKCFPH-AATRIKPKSA-N 1 0 352.482 2.246 20 30 FEEDRO CC(=O)NC1CC[NH+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)CC1 ZINC000050992858 540418198 /nfs/dbraw/zinc/41/81/98/540418198.db2.gz YKAAUMOHSRYDJP-UHFFFAOYSA-N 1 0 374.510 2.428 20 30 FEEDRO Cc1nn(C)c(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1[N+](=O)[O-] ZINC000051502349 540436391 /nfs/dbraw/zinc/43/63/91/540436391.db2.gz FKJGZXCBEDXCRB-UHFFFAOYSA-N 1 0 354.414 2.221 20 30 FEEDRO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCC(C(=O)Nc2nccs2)CC1 ZINC000054179952 540573384 /nfs/dbraw/zinc/57/33/84/540573384.db2.gz WDEUONBEILHTQG-AWEZNQCLSA-N 1 0 362.499 2.383 20 30 FEEDRO Cc1noc([C@@H]2CCC[N@H+](C[C@H](O)COc3ccc(CC#N)cc3)C2)n1 ZINC000054341554 540584580 /nfs/dbraw/zinc/58/45/80/540584580.db2.gz KYXJCJJRLSZXOG-SJORKVTESA-N 1 0 356.426 2.063 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)CC1 ZINC000057127143 540770666 /nfs/dbraw/zinc/77/06/66/540770666.db2.gz UFHDJSRFHLNQDR-RMKNXTFCSA-N 1 0 351.494 2.189 20 30 FEEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)NC[C@H]3CCCOC3)CC2)cc1 ZINC000057161964 540773931 /nfs/dbraw/zinc/77/39/31/540773931.db2.gz RVLKEVQCQBPUGB-LJQANCHMSA-N 1 0 356.470 2.202 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)NCc2cccc(C(=O)N[C@H](C)CC)c2)CC1 ZINC000057174376 540775695 /nfs/dbraw/zinc/77/56/95/540775695.db2.gz MBYIJVLYPOIEJU-MRXNPFEDSA-N 1 0 355.482 2.176 20 30 FEEDRO C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)CCOc1ccccc1C#N ZINC000057843624 540818864 /nfs/dbraw/zinc/81/88/64/540818864.db2.gz FVCPNAURPXXFHG-AWEZNQCLSA-N 1 0 359.451 2.277 20 30 FEEDRO CO/N=C/c1ccc(C(=O)NC2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000058413348 540842800 /nfs/dbraw/zinc/84/28/00/540842800.db2.gz IXHRQDONPJVGIM-HYARGMPZSA-N 1 0 352.438 2.456 20 30 FEEDRO C[N@@H+]1CCC[C@@H](CNC(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)C1 ZINC000540985952 541131564 /nfs/dbraw/zinc/13/15/64/541131564.db2.gz WPMRYOGABFKYSV-ZDUSSCGKSA-N 1 0 356.405 2.346 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)Cc1csc(-c2ccccn2)n1 ZINC000064361464 541202969 /nfs/dbraw/zinc/20/29/69/541202969.db2.gz QJEYILYBVOYOJP-UHFFFAOYSA-N 1 0 357.483 2.442 20 30 FEEDRO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@@H]1C(=O)N(CC)CC ZINC000065297693 541233916 /nfs/dbraw/zinc/23/39/16/541233916.db2.gz AKRQNCZNIRMPEI-RTBURBONSA-N 1 0 360.498 2.488 20 30 FEEDRO CCOc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000065601407 541247796 /nfs/dbraw/zinc/24/77/96/541247796.db2.gz NMCOCKJTYOFVII-HNNXBMFYSA-N 1 0 372.469 2.132 20 30 FEEDRO N#Cc1cccc(NC(=O)CC[NH+]2CCN(Cc3cscn3)CC2)c1 ZINC000065953187 541274380 /nfs/dbraw/zinc/27/43/80/541274380.db2.gz VFPDSOOKYJPYPD-UHFFFAOYSA-N 1 0 355.467 2.161 20 30 FEEDRO CC1CC[NH+](C[C@H](O)CNC(=O)Nc2cc(C#N)cn2C(C)(C)C)CC1 ZINC000067408827 541459325 /nfs/dbraw/zinc/45/93/25/541459325.db2.gz FCPLHYZKAWZSID-MRXNPFEDSA-N 1 0 361.490 2.329 20 30 FEEDRO C=C(C)COc1cccc(NC(=O)C(=O)NCC[N@H+]2CCC[C@H](C)C2)c1 ZINC000067497622 541472678 /nfs/dbraw/zinc/47/26/78/541472678.db2.gz RMYBOOZFWRMARS-INIZCTEOSA-N 1 0 359.470 2.428 20 30 FEEDRO C[C@@H]1CN(C[C@@H]2CCC[N@@H+]2CCC(=O)Nc2ccc(C#N)cc2)C[C@@H](C)O1 ZINC000067715187 541504381 /nfs/dbraw/zinc/50/43/81/541504381.db2.gz HRFDNFQYJRGVGY-HLIPFELVSA-N 1 0 370.497 2.460 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)NCc2ccc(-n3ccnc3C)c(F)c2)CC1 ZINC000067859984 541521772 /nfs/dbraw/zinc/52/17/72/541521772.db2.gz RBIVOHRMQIHZQR-UHFFFAOYSA-N 1 0 354.429 2.281 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N[C@@H](c2nc(-c3ccncc3)no2)C(C)C)CC1 ZINC000067994929 541536737 /nfs/dbraw/zinc/53/67/37/541536737.db2.gz LZRXISQZNWHQOD-QGZVFWFLSA-N 1 0 367.453 2.290 20 30 FEEDRO COc1cccc([C@@H](CNS(=O)(=O)CCCCC#N)[NH+]2CCCC2)c1 ZINC000068872899 541635606 /nfs/dbraw/zinc/63/56/06/541635606.db2.gz ODZHVMUNPWATCF-GOSISDBHSA-N 1 0 365.499 2.445 20 30 FEEDRO NC(=NOCC(=O)NCc1ccco1)c1cccc(C[NH+]2CCCCC2)c1 ZINC000068877304 541636516 /nfs/dbraw/zinc/63/65/16/541636516.db2.gz VSKBMNTYGWZMCT-UHFFFAOYSA-N 1 0 370.453 2.219 20 30 FEEDRO C[C@H](CC(=O)N(CCC#N)CCC[NH+](C)C)NC(=O)C1CCCCC1 ZINC000069576234 541698281 /nfs/dbraw/zinc/69/82/81/541698281.db2.gz DUZPEHFYZYYETD-MRXNPFEDSA-N 1 0 350.507 2.155 20 30 FEEDRO CC(C)[N@H+](C)CCCNC(=O)C(=O)Nc1cccc(OCCCC#N)c1 ZINC000071011520 541758107 /nfs/dbraw/zinc/75/81/07/541758107.db2.gz ZMZARKAAXJTXFG-UHFFFAOYSA-N 1 0 360.458 2.154 20 30 FEEDRO Cc1nc(SCCC(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)n[nH]1 ZINC000073107958 541918656 /nfs/dbraw/zinc/91/86/56/541918656.db2.gz DCCHLBSKTMTWLE-UHFFFAOYSA-N 1 0 372.498 2.057 20 30 FEEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(-c2cncnc2)cc1 ZINC000073411562 541950881 /nfs/dbraw/zinc/95/08/81/541950881.db2.gz UNZAIWIXNGAFAR-KBPBESRZSA-N 1 0 353.426 2.195 20 30 FEEDRO CC(C)[C@H](CNC(=O)N[C@H](C)c1cccc(C#N)c1)[NH+]1CCN(C)CC1 ZINC000073595970 541971213 /nfs/dbraw/zinc/97/12/13/541971213.db2.gz SGQRUFKHMFJIBX-APWZRJJASA-N 1 0 357.502 2.190 20 30 FEEDRO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCC(NC(=O)c2ccccc2)CC1 ZINC000073648600 541980993 /nfs/dbraw/zinc/98/09/93/541980993.db2.gz CKQVMSUPNDBFEC-KRWDZBQOSA-N 1 0 355.482 2.470 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)NCc2cc(N(C)C)nc3ccccc23)CC1 ZINC000075385747 542175945 /nfs/dbraw/zinc/17/59/45/542175945.db2.gz GCRZEERLXFKJOG-UHFFFAOYSA-N 1 0 350.466 2.262 20 30 FEEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000076333944 542262127 /nfs/dbraw/zinc/26/21/27/542262127.db2.gz GLRDJLKBMPJCDL-KGLIPLIRSA-N 1 0 372.494 2.372 20 30 FEEDRO N#CCc1ccc(NC(=O)C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000076541614 542290208 /nfs/dbraw/zinc/29/02/08/542290208.db2.gz XWTLHFPRFOYYNZ-QGZVFWFLSA-N 1 0 354.454 2.026 20 30 FEEDRO C=CCCC[N@@H+](C)[C@H](C)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F ZINC000076736141 542319419 /nfs/dbraw/zinc/31/94/19/542319419.db2.gz LDZOWJAGYKQVPX-LLVKDONJSA-N 1 0 357.376 2.445 20 30 FEEDRO C[NH+]1CCC(C#N)(NC(=O)c2cccc(OCc3cscn3)c2)CC1 ZINC000077038847 542342946 /nfs/dbraw/zinc/34/29/46/542342946.db2.gz QNMLFVIVLQWVOS-UHFFFAOYSA-N 1 0 356.451 2.440 20 30 FEEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000077466336 542384904 /nfs/dbraw/zinc/38/49/04/542384904.db2.gz HIRFMYXFJALHGT-LSDHHAIUSA-N 1 0 361.515 2.306 20 30 FEEDRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)C(=O)Nc2ccc(F)c(C#N)c2)C1 ZINC000077538882 542394452 /nfs/dbraw/zinc/39/44/52/542394452.db2.gz BXBSUJXWWZEGLT-KBPBESRZSA-N 1 0 360.433 2.120 20 30 FEEDRO C=CCc1cc(C(=O)N2CCC[N@@H+](CCOC)CC2)cc(OC)c1OC ZINC000078631337 542473838 /nfs/dbraw/zinc/47/38/38/542473838.db2.gz MYDNEDWMVOHONO-UHFFFAOYSA-N 1 0 362.470 2.227 20 30 FEEDRO C=CCOCCCC(=O)Nc1ccc(C[N@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000079894329 542548856 /nfs/dbraw/zinc/54/88/56/542548856.db2.gz GDZGKIDEJPCSTF-KRWDZBQOSA-N 1 0 359.470 2.305 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)CNC(=O)c2cc3ccccc3[nH]2)CC1 ZINC000080080025 542562820 /nfs/dbraw/zinc/56/28/20/542562820.db2.gz ZOJIZYNSWDDMBU-UHFFFAOYSA-N 1 0 354.454 2.054 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)[C@H]2CCC(=O)N2Cc2ccc(C)cc2)CC1 ZINC000080079325 542563167 /nfs/dbraw/zinc/56/31/67/542563167.db2.gz FESALGGZZXMGRQ-LJQANCHMSA-N 1 0 355.482 2.253 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N[C@@H]1CCCn2c(C)nnc21)C(C)C ZINC000080077614 542562733 /nfs/dbraw/zinc/56/27/33/542562733.db2.gz FEZKQODXFWXXKO-SJORKVTESA-N 1 0 360.506 2.419 20 30 FEEDRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)NCCOc2ccc(C#N)cc2)C1 ZINC000080707011 542602338 /nfs/dbraw/zinc/60/23/38/542602338.db2.gz MBNARRZDAZQOKO-GOSISDBHSA-N 1 0 356.470 2.310 20 30 FEEDRO CN(C[C@@H]1CC[N@H+](C)C1)S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000083537891 542698375 /nfs/dbraw/zinc/69/83/75/542698375.db2.gz UGJUZMVLVYMHIQ-LLVKDONJSA-N 1 0 361.389 2.149 20 30 FEEDRO C=CCOc1ccc(C(=O)N2CC[NH+](C3CCOCC3)CC2)cc1OC ZINC000082992288 542688600 /nfs/dbraw/zinc/68/86/00/542688600.db2.gz MAJVWYGJENNOMB-UHFFFAOYSA-N 1 0 360.454 2.197 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC(c2nnc[nH]2)CC1)C(C)C ZINC000083702184 542700934 /nfs/dbraw/zinc/70/09/34/542700934.db2.gz KGFANQIYOMZGFX-QGZVFWFLSA-N 1 0 360.506 2.392 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H]2C[C@H]2c2ccccc2OC)c1C#N ZINC000089677710 542768283 /nfs/dbraw/zinc/76/82/83/542768283.db2.gz ORYWTOQMIFKLAI-UONOGXRCSA-N 1 0 353.426 2.184 20 30 FEEDRO C=CCC[C@H](CCC)[NH2+]C1CCN(S(=O)(=O)c2cnn(C)c2)CC1 ZINC000090081256 542782195 /nfs/dbraw/zinc/78/21/95/542782195.db2.gz CPXPGZNBAQUDRA-HNNXBMFYSA-N 1 0 354.520 2.298 20 30 FEEDRO C[C@@H]([NH2+]Cc1cn(CCC#N)nc1-c1ccccc1)[C@@H]1CN(C)CCO1 ZINC000091063560 542792303 /nfs/dbraw/zinc/79/23/03/542792303.db2.gz LNGFIWIXQAQRCE-APWZRJJASA-N 1 0 353.470 2.272 20 30 FEEDRO C[C@H]([NH2+]Cc1cn(CCC#N)nc1-c1ccccc1)[C@H]1CN(C)CCO1 ZINC000091063561 542792952 /nfs/dbraw/zinc/79/29/52/542792952.db2.gz LNGFIWIXQAQRCE-QFBILLFUSA-N 1 0 353.470 2.272 20 30 FEEDRO C=CCOc1ccc(C[N@H+](C)C[C@@H](O)CN2CCOCC2)cc1Cl ZINC000093583013 542935255 /nfs/dbraw/zinc/93/52/55/542935255.db2.gz OGIAGDWHLBCXEO-MRXNPFEDSA-N 1 0 354.878 2.030 20 30 FEEDRO CC[NH+]1CCC(NC(=O)CN2CCC(Oc3cccc(C#N)c3)CC2)CC1 ZINC000104714478 543138560 /nfs/dbraw/zinc/13/85/60/543138560.db2.gz BCHFVMBKJLOJPH-UHFFFAOYSA-N 1 0 370.497 2.002 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)c2ccc(N3C[C@H](C)O[C@@H](C)C3)nc2)CC1 ZINC000106037731 543186122 /nfs/dbraw/zinc/18/61/22/543186122.db2.gz KXEVYFLCEXXQCC-IRXDYDNUSA-N 1 0 372.513 2.466 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@H]2CC(=O)N(c3ccc(OC)cc3)C2)CC1 ZINC000106036930 543186230 /nfs/dbraw/zinc/18/62/30/543186230.db2.gz RWWGGGYPKCZMEK-INIZCTEOSA-N 1 0 371.481 2.205 20 30 FEEDRO N#C[C@@H]1CN(C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)CCO1 ZINC000106336542 543224224 /nfs/dbraw/zinc/22/42/24/543224224.db2.gz UUIQMACSNPFTMN-LJQANCHMSA-N 1 0 356.470 2.497 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccccc2Cn2cncn2)CC1 ZINC000106322748 543223045 /nfs/dbraw/zinc/22/30/45/543223045.db2.gz AIRBBIYZDYDSRR-UHFFFAOYSA-N 1 0 354.458 2.488 20 30 FEEDRO C[N@@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)C[C@H]1CCCOC1 ZINC000107690614 543275500 /nfs/dbraw/zinc/27/55/00/543275500.db2.gz QGZADYZKMLXWDL-OAHLLOKOSA-N 1 0 353.426 2.041 20 30 FEEDRO C[C@H](NC(=O)c1ccc(C#N)cn1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000107472279 543271341 /nfs/dbraw/zinc/27/13/41/543271341.db2.gz UXQCELPSOQSQMF-AWEZNQCLSA-N 1 0 367.428 2.335 20 30 FEEDRO N#CCCSc1ccccc1NC(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000108607329 543297301 /nfs/dbraw/zinc/29/73/01/543297301.db2.gz MXAMGUJCUQWBDY-AWEZNQCLSA-N 1 0 372.494 2.231 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N2CSC[C@H]2C(=O)Nc2ccc(C)cc2)CC1 ZINC000109215664 543318103 /nfs/dbraw/zinc/31/81/03/543318103.db2.gz IZHIGVYZSYYJAN-SFHVURJKSA-N 1 0 371.506 2.180 20 30 FEEDRO C[N@@H+]1CCCC[C@H]1CN1CCN(Cc2cn3ccccc3c2C#N)CC1 ZINC000109755258 543337191 /nfs/dbraw/zinc/33/71/91/543337191.db2.gz HPGSRZVZIOBNFF-IBGZPJMESA-N 1 0 351.498 2.413 20 30 FEEDRO C[C@H]1C[NH+](C(C)(C)CNC(=O)Cc2ccc(OCC#N)cc2)C[C@H](C)O1 ZINC000110188977 543351002 /nfs/dbraw/zinc/35/10/02/543351002.db2.gz DBSIHJLSARNFRC-HOTGVXAUSA-N 1 0 359.470 2.135 20 30 FEEDRO C[C@H](CNS(=O)(=O)c1ccc(F)c(C#N)c1)[N@H+](C)Cc1ccccc1 ZINC000111348322 543398142 /nfs/dbraw/zinc/39/81/42/543398142.db2.gz ARJICARJCSZSGB-CQSZACIVSA-N 1 0 361.442 2.496 20 30 FEEDRO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@H](N2CCCC2=O)C1 ZINC000111696444 543412588 /nfs/dbraw/zinc/41/25/88/543412588.db2.gz OJGUONTZRGRBNT-OALUTQOASA-N 1 0 358.482 2.242 20 30 FEEDRO CCCC[N@H+](C)CCNC(=O)N1CCN(c2ccc(C#N)cc2F)CC1 ZINC000112466464 543447968 /nfs/dbraw/zinc/44/79/68/543447968.db2.gz WZGAGJZEWSZMNB-UHFFFAOYSA-N 1 0 361.465 2.261 20 30 FEEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(NC(=O)NC2CC2)cc1)C(=O)N(C)CCC#N ZINC000112528645 543451042 /nfs/dbraw/zinc/45/10/42/543451042.db2.gz YONCGRWAPIHHHV-UONOGXRCSA-N 1 0 357.458 2.382 20 30 FEEDRO Cc1nc2n(n1)C[C@@H]([NH2+]Cc1cn(CCC#N)nc1-c1ccccc1)CC2 ZINC000113333687 543484516 /nfs/dbraw/zinc/48/45/16/543484516.db2.gz TZPSBXOLUVLMTG-SFHVURJKSA-N 1 0 361.453 2.468 20 30 FEEDRO CC(C)[NH+]1CCC(NC(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)CC1 ZINC000114582920 543524771 /nfs/dbraw/zinc/52/47/71/543524771.db2.gz FJQYVLIQVJDDLK-FQEVSTJZSA-N 1 0 369.513 2.279 20 30 FEEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000118100865 543644816 /nfs/dbraw/zinc/64/48/16/543644816.db2.gz ICSFLRSNPMUGLJ-XJKSGUPXSA-N 1 0 374.510 2.476 20 30 FEEDRO CC[N@H+](CCNC(=O)C(=O)Nc1ccccc1SCCC#N)C(C)C ZINC000118119319 543646939 /nfs/dbraw/zinc/64/69/39/543646939.db2.gz KEOYGUDJKMHQMQ-UHFFFAOYSA-N 1 0 362.499 2.477 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cc(F)c(F)c(F)c2)CC1 ZINC000121568594 543696964 /nfs/dbraw/zinc/69/69/64/543696964.db2.gz DGGSCZQWPJOQQW-UHFFFAOYSA-N 1 0 355.360 2.199 20 30 FEEDRO C#CCOc1cccc(NC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000120606947 543682243 /nfs/dbraw/zinc/68/22/43/543682243.db2.gz NNVFYDSQBFXZEV-GOSISDBHSA-N 1 0 369.465 2.114 20 30 FEEDRO CO/N=C/c1ccc(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)cc1 ZINC000122073552 543703198 /nfs/dbraw/zinc/70/31/98/543703198.db2.gz ANJVZFRGUPXDBD-FGCHFJFUSA-N 1 0 359.470 2.165 20 30 FEEDRO CC1CCN(C(=[NH2+])NCc2cccc(C(=O)NC[C@@H]3CCCO3)c2)CC1 ZINC000122492873 543707487 /nfs/dbraw/zinc/70/74/87/543707487.db2.gz KBKIHEWWNVFABA-SFHVURJKSA-N 1 0 358.486 2.142 20 30 FEEDRO N#Cc1cc(F)ccc1S(=O)(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000123338628 543755506 /nfs/dbraw/zinc/75/55/06/543755506.db2.gz VVHVAERAVQJGFY-MRXNPFEDSA-N 1 0 351.447 2.240 20 30 FEEDRO COCCN(Cc1ccc(C#N)cc1)C(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000124733934 543839939 /nfs/dbraw/zinc/83/99/39/543839939.db2.gz LYEXRZAENSINQI-KRWDZBQOSA-N 1 0 358.486 2.448 20 30 FEEDRO C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)/N=C/c1ccc(O)c(O)c1O ZINC000125138089 543863062 /nfs/dbraw/zinc/86/30/62/543863062.db2.gz NKLIECCAYSCPPC-PCXKXAPESA-N 1 0 355.438 2.433 20 30 FEEDRO COc1cc(C#N)ccc1OCC(=O)N1CCC([N@@H+]2CCC[C@H]2C)CC1 ZINC000125493975 543884778 /nfs/dbraw/zinc/88/47/78/543884778.db2.gz MFANPLYCRUBIMU-OAHLLOKOSA-N 1 0 357.454 2.421 20 30 FEEDRO COc1cc(C[NH2+]C2CC(C#N)(c3ccccc3)C2)ccc1OCC(N)=O ZINC000126328948 543930007 /nfs/dbraw/zinc/93/00/07/543930007.db2.gz AZDBFPBOCVHIJK-UHFFFAOYSA-N 1 0 365.433 2.273 20 30 FEEDRO CCS(=O)(=O)N(C)C1CC[NH+](CCCOc2cccc(C#N)c2)CC1 ZINC000127035649 543969644 /nfs/dbraw/zinc/96/96/44/543969644.db2.gz WZRFQZVCQKPUEA-UHFFFAOYSA-N 1 0 365.499 2.073 20 30 FEEDRO C=CCCOCCNC(=O)NC[C@H](c1ccc(C)cc1)N1CCOCC1 ZINC000127194786 543977864 /nfs/dbraw/zinc/97/78/64/543977864.db2.gz RKWSMBPDUHWUEU-LJQANCHMSA-N 1 0 361.486 2.260 20 30 FEEDRO COc1cc(C#N)ccc1OCC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000126431187 543935439 /nfs/dbraw/zinc/93/54/39/543935439.db2.gz VMTFVTDKUSDWLX-AEFFLSMTSA-N 1 0 369.465 2.421 20 30 FEEDRO C=CC[C@H](C)[C@@H](C)[NH2+]Cc1ccccc1S(=O)(=O)N1CCN(C)CC1 ZINC000127777276 544013308 /nfs/dbraw/zinc/01/33/08/544013308.db2.gz UEFLGKSSYRJJKX-DLBZAZTESA-N 1 0 365.543 2.313 20 30 FEEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000127279436 543983123 /nfs/dbraw/zinc/98/31/23/543983123.db2.gz HWQIHDJNGIMTOB-SFHVURJKSA-N 1 0 357.502 2.291 20 30 FEEDRO CC[C@H](CC#N)NC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000128221273 544039923 /nfs/dbraw/zinc/03/99/23/544039923.db2.gz SCMODJZVXYPOCB-GFCCVEGCSA-N 1 0 366.849 2.027 20 30 FEEDRO CC[C@@H](CC#N)NC(=O)C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000128335339 544047260 /nfs/dbraw/zinc/04/72/60/544047260.db2.gz NQONKFGGQKBBNH-INIZCTEOSA-N 1 0 374.510 2.025 20 30 FEEDRO C=CCN(CCc1ccccc1)C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000129304504 544104618 /nfs/dbraw/zinc/10/46/18/544104618.db2.gz DJQVEGDGZUQFIT-UHFFFAOYSA-N 1 0 358.530 2.453 20 30 FEEDRO COc1cccc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1O ZINC000129877281 544130473 /nfs/dbraw/zinc/13/04/73/544130473.db2.gz LOIYVPNRKHZUMW-UHFFFAOYSA-N 1 0 353.422 2.476 20 30 FEEDRO N#Cc1ccc(CN2CCCN(C(=O)[C@@H]3CCn4cncc4C3)CC2)cc1 ZINC000130572301 544156454 /nfs/dbraw/zinc/15/64/54/544156454.db2.gz DEILIYILGFNRTE-LJQANCHMSA-N 1 0 363.465 2.052 20 30 FEEDRO CN(CCC#N)C(=O)CC[NH+]1CCN(Cc2ccc(F)cc2Cl)CC1 ZINC000131027961 544174446 /nfs/dbraw/zinc/17/44/46/544174446.db2.gz IDODGOHFEKSHNW-UHFFFAOYSA-N 1 0 366.868 2.359 20 30 FEEDRO N#CCCN(CCC#N)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000132801514 544244254 /nfs/dbraw/zinc/24/42/54/544244254.db2.gz SJQWVTWMWFVDIP-UHFFFAOYSA-N 1 0 353.470 2.028 20 30 FEEDRO C[C@@H](CC#N)N(C)C(=O)C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000132187834 544222540 /nfs/dbraw/zinc/22/25/40/544222540.db2.gz IVRVRIFINCDUCS-INIZCTEOSA-N 1 0 372.469 2.250 20 30 FEEDRO C[C@H](NC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1)C(C)(C)C[NH+](C)C ZINC000133240265 544261279 /nfs/dbraw/zinc/26/12/79/544261279.db2.gz JOONBIUCFVOFCF-NSHDSACASA-N 1 0 350.850 2.243 20 30 FEEDRO CCN(CCC#N)C(=O)C[N@@H+]1C[C@@H](C(=O)OC)C[C@@H](c2ccccc2)C1 ZINC000135468478 544348554 /nfs/dbraw/zinc/34/85/54/544348554.db2.gz BUZPMYAUBJHRIZ-MSOLQXFVSA-N 1 0 357.454 2.027 20 30 FEEDRO C#CCOc1cc(F)ccc1NC(=O)c1ccnc(OCC[NH+](C)C)c1 ZINC000137243721 544387592 /nfs/dbraw/zinc/38/75/92/544387592.db2.gz LKBMCUMYXXNHDD-UHFFFAOYSA-N 1 0 357.385 2.425 20 30 FEEDRO C=CCCCCC[N@@H+](C)CC(=O)Nc1ccc(C)c(S(N)(=O)=O)c1 ZINC000150875462 544482337 /nfs/dbraw/zinc/48/23/37/544482337.db2.gz MMQRLHSWYNMWBG-UHFFFAOYSA-N 1 0 353.488 2.259 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)c(F)c1 ZINC000151170496 544512573 /nfs/dbraw/zinc/51/25/73/544512573.db2.gz GEWCKLBFOXJABX-HNNXBMFYSA-N 1 0 351.447 2.336 20 30 FEEDRO Cc1nccn1C[C@H](C)CNC(=O)N1CC(Oc2ccc(C#N)cc2)C1 ZINC000152521129 544663900 /nfs/dbraw/zinc/66/39/00/544663900.db2.gz VJGMKKVREHFMRJ-CQSZACIVSA-N 1 0 353.426 2.172 20 30 FEEDRO Cc1cc(Cl)ccc1NC(=O)C[N@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000153257223 544753221 /nfs/dbraw/zinc/75/32/21/544753221.db2.gz FLTDQPQVGNUBTE-UHFFFAOYSA-N 1 0 360.849 2.329 20 30 FEEDRO C[C@H](C(=O)NCCC1=CCCCC1)[N@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000153265573 544753825 /nfs/dbraw/zinc/75/38/25/544753825.db2.gz UZFYDKVZTBWIGI-CQSZACIVSA-N 1 0 358.490 2.123 20 30 FEEDRO Cc1ccc([C@@H](C)NC(=O)C[N@H+](C)CCCc2[nH]nc(N)c2C#N)cc1C ZINC000153297020 544757383 /nfs/dbraw/zinc/75/73/83/544757383.db2.gz BDRQKGLNKUXQSM-OAHLLOKOSA-N 1 0 368.485 2.222 20 30 FEEDRO C[NH+]=C(NCC(C)(C)c1cccs1)N1CCO[C@@H](c2cnn(C)c2)C1 ZINC000153318205 544760564 /nfs/dbraw/zinc/76/05/64/544760564.db2.gz ZZNPYVBQVNVJIO-OAHLLOKOSA-N 1 0 361.515 2.408 20 30 FEEDRO C[NH+](C)CCCNC(=O)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000154426676 544904924 /nfs/dbraw/zinc/90/49/24/544904924.db2.gz KXVBLWQVUDMWDA-UHFFFAOYSA-N 1 0 366.421 2.357 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@H](SC)C(C)(C)C)CC1 ZINC000553394633 674257520 /nfs/dbraw/zinc/25/75/20/674257520.db2.gz SMDYVRHVZDQJNW-HNNXBMFYSA-N 1 0 355.548 2.037 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H](CCCO)c2ccccc2)cc1 ZINC000179732169 327657533 /nfs/dbraw/zinc/65/75/33/327657533.db2.gz BGMWKEDHIBQPRU-IBGZPJMESA-N 1 0 358.463 2.435 20 30 FEEDRO Cn1nnc2ccc(C(=O)N(CC[NH+](C)C)Cc3cccc(C#N)c3)cc21 ZINC000183966111 327843899 /nfs/dbraw/zinc/84/38/99/327843899.db2.gz RGWGJNYWBLJPJN-UHFFFAOYSA-N 1 0 362.437 2.044 20 30 FEEDRO CO[C@H]1CC[C@H](NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000187858463 328050904 /nfs/dbraw/zinc/05/09/04/328050904.db2.gz CELIMSKVIUAERJ-OALUTQOASA-N 1 0 356.470 2.343 20 30 FEEDRO C[C@@H]1CN(Cc2cn(C)nc2-c2ccc(C#N)cc2)CC[N@@H+]1CC(C)(C)O ZINC000189907113 328175267 /nfs/dbraw/zinc/17/52/67/328175267.db2.gz FQORUBUQLSXFCH-MRXNPFEDSA-N 1 0 367.497 2.236 20 30 FEEDRO N#Cc1cc(NC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)ccc1Cl ZINC000190014137 328182394 /nfs/dbraw/zinc/18/23/94/328182394.db2.gz MREWTDPJFWPSMN-OAHLLOKOSA-N 1 0 360.845 2.237 20 30 FEEDRO COC(=O)[C@@H](C)C[N@H+](C1CC1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192565704 328326053 /nfs/dbraw/zinc/32/60/53/328326053.db2.gz UGDHXXAOTAQKMF-KBXCAEBGSA-N 1 0 355.438 2.327 20 30 FEEDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)C1 ZINC000193162515 328360275 /nfs/dbraw/zinc/36/02/75/328360275.db2.gz FDMOXDKHWPLWDG-HNNXBMFYSA-N 1 0 373.501 2.147 20 30 FEEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000054842595 324766527 /nfs/dbraw/zinc/76/65/27/324766527.db2.gz RLJGSCLFYGATBS-UHFFFAOYSA-N 1 0 372.469 2.273 20 30 FEEDRO Cc1ccc(C#N)cc1NC(=O)C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000057675381 324830023 /nfs/dbraw/zinc/83/00/23/324830023.db2.gz QPMRDQHFJNTAMW-GOSISDBHSA-N 1 0 364.449 2.094 20 30 FEEDRO N#Cc1ccc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)c(C(F)(F)F)c1 ZINC000077964237 325026867 /nfs/dbraw/zinc/02/68/67/325026867.db2.gz VXHOZZFWJFRYOA-UHFFFAOYSA-N 1 0 366.387 2.321 20 30 FEEDRO CN(Cc1ccc(C#N)cc1)C(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000078029967 325028241 /nfs/dbraw/zinc/02/82/41/325028241.db2.gz WMSRNMPCTGDCAB-UHFFFAOYSA-N 1 0 363.465 2.124 20 30 FEEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[N@@H+](C)CC12CCCCC2 ZINC000080941102 325149371 /nfs/dbraw/zinc/14/93/71/325149371.db2.gz CEFGILNBGBVTIM-UHFFFAOYSA-N 1 0 370.497 2.273 20 30 FEEDRO N#Cc1cccc(OCCCCC(=O)N2CC[NH+](C3CCOCC3)CC2)c1 ZINC000081035051 325156282 /nfs/dbraw/zinc/15/62/82/325156282.db2.gz AWTMGLCBQVVLGO-UHFFFAOYSA-N 1 0 371.481 2.431 20 30 FEEDRO N#Cc1ccc(NC(=O)CC[N@@H+]2CCO[C@H]([C@@H]3CCCO3)C2)cc1Cl ZINC000089155640 325305316 /nfs/dbraw/zinc/30/53/16/325305316.db2.gz CPSROHDCZKFKLR-IRXDYDNUSA-N 1 0 363.845 2.420 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)CCCOc2ccc(F)cc2)c1C#N ZINC000089675337 325326756 /nfs/dbraw/zinc/32/67/56/325326756.db2.gz LCQJJYGFCAGTBG-UHFFFAOYSA-N 1 0 359.405 2.370 20 30 FEEDRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]CCOc2ccc(C#N)cc2)c1 ZINC000090107089 325353828 /nfs/dbraw/zinc/35/38/28/325353828.db2.gz HKXKCZDLTNWYIM-CQSZACIVSA-N 1 0 359.451 2.196 20 30 FEEDRO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)COc1ccccc1C#N ZINC000116251609 326001811 /nfs/dbraw/zinc/00/18/11/326001811.db2.gz ZUTJQBFXYDPZKL-LPHOPBHVSA-N 1 0 364.449 2.359 20 30 FEEDRO CCC[NH+]1CCC(CNC(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)CC1 ZINC000116361289 326009198 /nfs/dbraw/zinc/00/91/98/326009198.db2.gz VHEKSCBJDOTLEU-UHFFFAOYSA-N 1 0 358.486 2.034 20 30 FEEDRO CC[C@H]1CCCC[C@@H]1[NH2+]CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 ZINC000118986483 326115852 /nfs/dbraw/zinc/11/58/52/326115852.db2.gz MCJCBJXLQYVQCT-HOTGVXAUSA-N 1 0 359.474 2.062 20 30 FEEDRO N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](Cn3ccnn3)C2)cc1Cl ZINC000119202351 326137337 /nfs/dbraw/zinc/13/73/37/326137337.db2.gz OCCBIIDRYHXWBW-CYBMUJFWSA-N 1 0 358.833 2.154 20 30 FEEDRO CC1CC[NH+](C[C@H]2CCCN(C(=O)C(=O)Nc3cccc(C#N)c3)C2)CC1 ZINC000119663629 326185618 /nfs/dbraw/zinc/18/56/18/326185618.db2.gz HVECKGGBNHAXFJ-GOSISDBHSA-N 1 0 368.481 2.467 20 30 FEEDRO N#Cc1cc(Cl)ccc1S(=O)(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000120432891 326258391 /nfs/dbraw/zinc/25/83/91/326258391.db2.gz FDZATUWSABGOFQ-ZDUSSCGKSA-N 1 0 353.875 2.318 20 30 FEEDRO CN(CCC[NH+](C)C)C(=O)C(=O)Nc1nc(-c2cccc(C#N)c2)cs1 ZINC000120998126 326305054 /nfs/dbraw/zinc/30/50/54/326305054.db2.gz DGTGSSAZJAWBDL-UHFFFAOYSA-N 1 0 371.466 2.030 20 30 FEEDRO N#Cc1cc(S(=O)(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)ccc1F ZINC000121627088 326353016 /nfs/dbraw/zinc/35/30/16/326353016.db2.gz YIGXVGVUARGFBZ-ACJLOTCBSA-N 1 0 363.458 2.335 20 30 FEEDRO C[NH+](C)C[C@](C)(O)CNC(=O)c1ccc(OCc2ccccc2C#N)cc1 ZINC000153159399 326725532 /nfs/dbraw/zinc/72/55/32/326725532.db2.gz GZTOAGUXXQWHGX-OAQYLSRUSA-N 1 0 367.449 2.180 20 30 FEEDRO CC(C)([NH2+]C[C@H](O)COc1ccc(C#N)cc1)C(=O)NCC1CCCCC1 ZINC000155250465 326782518 /nfs/dbraw/zinc/78/25/18/326782518.db2.gz UEDFHYIJWQCNDY-SFHVURJKSA-N 1 0 373.497 2.363 20 30 FEEDRO C[C@H]1C[NH+](CCCNC(=O)C(C)(C)Oc2ccc(C#N)cc2)C[C@H](C)O1 ZINC000161708673 327007143 /nfs/dbraw/zinc/00/71/43/327007143.db2.gz AYJZLMMBZGTNTA-HOTGVXAUSA-N 1 0 359.470 2.331 20 30 FEEDRO COCC[NH+]1CCC(NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)CC1 ZINC000171320212 327131815 /nfs/dbraw/zinc/13/18/15/327131815.db2.gz FKUYXVDSBOPNMR-UHFFFAOYSA-N 1 0 356.470 2.343 20 30 FEEDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000172841867 327221958 /nfs/dbraw/zinc/22/19/58/327221958.db2.gz IQZZAEGHYKGZLD-HNNXBMFYSA-N 1 0 362.861 2.483 20 30 FEEDRO Cc1cccc(NC(=O)C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)c1C#N ZINC000173571042 327267260 /nfs/dbraw/zinc/26/72/60/327267260.db2.gz NCTVTCOMQDTUHP-INIZCTEOSA-N 1 0 354.454 2.186 20 30 FEEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@@H]2CC[C@H](C1)[N@@H+]2C(C)C ZINC000175068758 327372063 /nfs/dbraw/zinc/37/20/63/327372063.db2.gz RUYRYXWCWZEBIU-DLBZAZTESA-N 1 0 370.497 2.270 20 30 FEEDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)C1 ZINC000176568474 327463745 /nfs/dbraw/zinc/46/37/45/327463745.db2.gz BXQLPBJRUFVFON-DLBZAZTESA-N 1 0 373.476 2.402 20 30 FEEDRO Cc1c(C#N)cccc1NC(=O)C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000178408204 327583184 /nfs/dbraw/zinc/58/31/84/327583184.db2.gz BCHPYECKOBDTDE-OAHLLOKOSA-N 1 0 356.451 2.286 20 30 FEEDRO Cc1c(C#N)cccc1NC(=O)C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000178471755 327586954 /nfs/dbraw/zinc/58/69/54/327586954.db2.gz VNJRMSQZEPKKFW-KRWDZBQOSA-N 1 0 354.454 2.282 20 30 FEEDRO C[C@H]([NH3+])C1CCN(S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)CC1 ZINC000262059294 328838908 /nfs/dbraw/zinc/83/89/08/328838908.db2.gz NSVYJISUYDKNPZ-JTQLQIEISA-N 1 0 361.389 2.325 20 30 FEEDRO C[C@@H]1C[NH+](CC2CCN(c3ncc([N+](=O)[O-])cc3C#N)CC2)C[C@@H](C)O1 ZINC000264435900 329022868 /nfs/dbraw/zinc/02/28/68/329022868.db2.gz DOECRNYRYGLWSM-ZIAGYGMSSA-N 1 0 359.430 2.187 20 30 FEEDRO C[C@H]1C[NH+](CC2CCN(c3ncc([N+](=O)[O-])cc3C#N)CC2)C[C@H](C)O1 ZINC000264435896 329022960 /nfs/dbraw/zinc/02/29/60/329022960.db2.gz DOECRNYRYGLWSM-KBPBESRZSA-N 1 0 359.430 2.187 20 30 FEEDRO CN(C(=O)/C=C/c1ccc(C#N)cc1)C1CC[NH+](CCn2cccn2)CC1 ZINC000264527174 329032794 /nfs/dbraw/zinc/03/27/94/329032794.db2.gz BHYVZLINBJIITI-BQYQJAHWSA-N 1 0 363.465 2.391 20 30 FEEDRO CN1CCN(C)[C@H](C[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000264769140 329058565 /nfs/dbraw/zinc/05/85/65/329058565.db2.gz QPAHRZBHMQMUBI-OAQYLSRUSA-N 1 0 364.493 2.473 20 30 FEEDRO COCC[N@@H+]1CC[C@@H](NC(=O)Nc2cc(C#N)ccc2OC(F)F)C1 ZINC000265998462 329180369 /nfs/dbraw/zinc/18/03/69/329180369.db2.gz RDHPIIVOTDVJDU-GFCCVEGCSA-N 1 0 354.357 2.002 20 30 FEEDRO C[C@H](NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)[C@H]1CCOC1 ZINC000266563461 329236469 /nfs/dbraw/zinc/23/64/69/329236469.db2.gz NFQSKGAZLGZIEQ-LPHOPBHVSA-N 1 0 356.470 2.201 20 30 FEEDRO C[NH+]1CCC([C@@H]2CCN(S(=O)(=O)c3ccc(F)cc3C#N)C2)CC1 ZINC000270207022 329582306 /nfs/dbraw/zinc/58/23/06/329582306.db2.gz KSFQTKKXIZXQCS-CQSZACIVSA-N 1 0 351.447 2.050 20 30 FEEDRO CC(C)N(C)C(=O)C1CCN(C(=O)C[NH2+][C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000271688440 329715762 /nfs/dbraw/zinc/71/57/62/329715762.db2.gz QVOHJHZITVACRP-INIZCTEOSA-N 1 0 370.497 2.314 20 30 FEEDRO C[C@H]([NH2+]C[C@H](O)COc1ccc(C#N)cc1)c1ccc([S@@](C)=O)cc1 ZINC000271824767 329728364 /nfs/dbraw/zinc/72/83/64/329728364.db2.gz PRRPXGGHYAFCCY-IYCMYEMBSA-N 1 0 358.463 2.386 20 30 FEEDRO COc1cc(C#N)ccc1OCCN1C[C@H](SC)[C@@H]([NH+]2CCCC2)C1 ZINC000274150864 329920393 /nfs/dbraw/zinc/92/03/93/329920393.db2.gz YGNLLBDHIZYQTR-LPHOPBHVSA-N 1 0 361.511 2.457 20 30 FEEDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@H]3CCN(c4ccc(C#N)cc4F)C3)CC[C@@H]21 ZINC000286427314 330184351 /nfs/dbraw/zinc/18/43/51/330184351.db2.gz BLXVYNDVRREOCB-AOIWGVFYSA-N 1 0 370.472 2.466 20 30 FEEDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)N(C)Cc2cccc(C#N)c2)C1 ZINC000288715330 330187863 /nfs/dbraw/zinc/18/78/63/330187863.db2.gz FXMVXNNDMBFLFF-LJQANCHMSA-N 1 0 370.497 2.001 20 30 FEEDRO CC(C)[C@@H]1CCc2c(C#N)c(NC(=O)C(=O)N3C[C@H]([NH3+])[C@@H](C)C3)sc2C1 ZINC000331784259 330200927 /nfs/dbraw/zinc/20/09/27/330200927.db2.gz IHWZFIRBDBZIQH-ZOWXZIJZSA-N 1 0 374.510 2.125 20 30 FEEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+][C@@H]2CCc3ccccc3OC2)c1 ZINC000367217989 330231711 /nfs/dbraw/zinc/23/17/11/330231711.db2.gz DGIOZRVFPKBSSW-QGZVFWFLSA-N 1 0 356.447 2.315 20 30 FEEDRO Cn1cc([C@H](O)C[C@@H]2CCC[N@@H+]2CCC(=O)Nc2ccc(C#N)cc2)cn1 ZINC000371454563 330243301 /nfs/dbraw/zinc/24/33/01/330243301.db2.gz ADTRTRTXAIYSOX-RBUKOAKNSA-N 1 0 367.453 2.208 20 30 FEEDRO C[C@H]([NH2+][C@@H](C)C1CCN(CC(F)(F)F)CC1)C(=O)NC1(C#N)CCC1 ZINC000555510397 674364208 /nfs/dbraw/zinc/36/42/08/674364208.db2.gz QTKVPTIJOGKXFC-STQMWFEESA-N 1 0 360.424 2.190 20 30 FEEDRO N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000156445472 545627523 /nfs/dbraw/zinc/62/75/23/545627523.db2.gz KCRIPQKGOXHFAG-LLVKDONJSA-N 1 0 373.400 2.340 20 30 FEEDRO C=CCc1ccc(OC[C@@H](O)C[NH+]2CCC(n3cncn3)CC2)c(OC)c1 ZINC000156647348 545641741 /nfs/dbraw/zinc/64/17/41/545641741.db2.gz SAIFOAKPCSAWSQ-SFHVURJKSA-N 1 0 372.469 2.092 20 30 FEEDRO C[C@H]1CC(C)(C)C[C@](CO)([NH2+]CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000156910111 545677271 /nfs/dbraw/zinc/67/72/71/545677271.db2.gz BRAGIEYZUVNYKX-HNAYVOBHSA-N 1 0 364.511 2.499 20 30 FEEDRO C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(CC(=O)NCC#N)CC1 ZINC000159355754 545945755 /nfs/dbraw/zinc/94/57/55/545945755.db2.gz BSZQQMWTJUZEMH-UHFFFAOYSA-N 1 0 368.403 2.241 20 30 FEEDRO C=CCNc1ncc(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)s1 ZINC000159446634 545954038 /nfs/dbraw/zinc/95/40/38/545954038.db2.gz GWKNFWBWRKXUBB-HUUCEWRRSA-N 1 0 364.515 2.239 20 30 FEEDRO C[C@@H](c1ccncc1)[NH+]1CCC(N[C@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000159929043 545992632 /nfs/dbraw/zinc/99/26/32/545992632.db2.gz DSIIMNAHNOQZPK-YWZLYKJASA-N 1 0 363.465 2.295 20 30 FEEDRO C[C@H](c1ccncc1)[NH+]1CCC(N[C@@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000159929458 545992822 /nfs/dbraw/zinc/99/28/22/545992822.db2.gz DSIIMNAHNOQZPK-FOIQADDNSA-N 1 0 363.465 2.295 20 30 FEEDRO N#Cc1ccc(CCC(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000160192707 546016012 /nfs/dbraw/zinc/01/60/12/546016012.db2.gz YXEZDWBBYNZDEB-UXHICEINSA-N 1 0 355.482 2.375 20 30 FEEDRO CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccc(OC(C)C)c(C#N)c2)C1 ZINC000160708247 546065122 /nfs/dbraw/zinc/06/51/22/546065122.db2.gz MOHBCLGEUWHANF-OAHLLOKOSA-N 1 0 372.469 2.132 20 30 FEEDRO COc1ccc(NC(=[NH2+])NCc2cn(C)nc2C(F)(F)F)cc1OC ZINC000160805375 546074863 /nfs/dbraw/zinc/07/48/63/546074863.db2.gz YNKFSOBJJHRDNU-UHFFFAOYSA-N 1 0 357.336 2.383 20 30 FEEDRO C#CCNC(=O)c1ccccc1NC(=O)CN1CCc2sccc2C1 ZINC000161342391 546121005 /nfs/dbraw/zinc/12/10/05/546121005.db2.gz PZEGATFCDKWDFC-UHFFFAOYSA-N 1 0 353.447 2.108 20 30 FEEDRO C[N@@H+]1CCCN(C(=O)C(=O)Nc2cccc(C#Cc3ccccc3)c2)CC1 ZINC000162014134 546136423 /nfs/dbraw/zinc/13/64/23/546136423.db2.gz YEENJBAAJIHCPJ-UHFFFAOYSA-N 1 0 361.445 2.189 20 30 FEEDRO CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000166095143 546155153 /nfs/dbraw/zinc/15/51/53/546155153.db2.gz WYLPVDHSWDFHHA-MDZRGWNJSA-N 1 0 350.507 2.058 20 30 FEEDRO COc1ccccc1CNC(=[NH2+])NC[C@H](c1ccccc1)N1CCOCC1 ZINC000170903991 546181562 /nfs/dbraw/zinc/18/15/62/546181562.db2.gz YIMURAJDXVVJNN-LJQANCHMSA-N 1 0 368.481 2.173 20 30 FEEDRO C[NH+]=C(NCc1cccc(CS(C)(=O)=O)c1)N1CCc2ccccc21 ZINC000171611700 546216598 /nfs/dbraw/zinc/21/65/98/546216598.db2.gz AEWDFBIMBVRNSZ-UHFFFAOYSA-N 1 0 357.479 2.369 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)NC2CCN(C(=O)c3ccccc3)CC2)CC1 ZINC000171705328 546220028 /nfs/dbraw/zinc/22/00/28/546220028.db2.gz CQYDXZIGCMHPJY-UHFFFAOYSA-N 1 0 370.497 2.241 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C[C@@H]2c3ccccc3CCN2C(C)=O)CC1 ZINC000171723416 546221394 /nfs/dbraw/zinc/22/13/94/546221394.db2.gz ZLIQTMHKPOBZPH-HXUWFJFHSA-N 1 0 355.482 2.289 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)c2ccc(N3C[C@H](C)O[C@@H](C)C3)nc2)CC1 ZINC000171721472 546221405 /nfs/dbraw/zinc/22/14/05/546221405.db2.gz QSXNVMMEKOPHMK-HOTGVXAUSA-N 1 0 358.486 2.075 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C[C@H](NC(C)=O)c2ccc(OC)cc2)CC1 ZINC000171724056 546222341 /nfs/dbraw/zinc/22/23/41/546222341.db2.gz NGUZNSYDVOLTHZ-IBGZPJMESA-N 1 0 359.470 2.029 20 30 FEEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CCC([NH+](C)C)CC1 ZINC000171773620 546225382 /nfs/dbraw/zinc/22/53/82/546225382.db2.gz PUQUANGBOXOVFG-CQSZACIVSA-N 1 0 374.510 2.429 20 30 FEEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000172292551 546245107 /nfs/dbraw/zinc/24/51/07/546245107.db2.gz CRQHLQCWYWQUOE-LSDHHAIUSA-N 1 0 374.510 2.429 20 30 FEEDRO C[NH+](C)CCOc1ccc(CNC(=O)Nc2ccn(CCC#N)n2)cc1 ZINC000173348674 546278674 /nfs/dbraw/zinc/27/86/74/546278674.db2.gz WNRKNAZMJOVFKX-UHFFFAOYSA-N 1 0 356.430 2.059 20 30 FEEDRO C=CCNC(=O)Nc1ccc(NC(=O)Nc2ccn(CC[NH+](C)C)n2)cc1 ZINC000173952048 546288945 /nfs/dbraw/zinc/28/89/45/546288945.db2.gz KJIAHXQTUYFREB-UHFFFAOYSA-N 1 0 371.445 2.396 20 30 FEEDRO C[C@@H]([NH2+][C@H]1CCCN(c2ccn(C)n2)C1=O)c1ccc(OCC#N)cc1 ZINC000174045107 546289944 /nfs/dbraw/zinc/28/99/44/546289944.db2.gz OZTHLSUPRDFOCR-PBHICJAKSA-N 1 0 353.426 2.169 20 30 FEEDRO CC[NH+]=C(NCc1cccc2c1OCO2)N1CC[C@H](c2cnn(C)c2)C1 ZINC000175583347 546314608 /nfs/dbraw/zinc/31/46/08/546314608.db2.gz TVHHSQDGZYWLMH-HNNXBMFYSA-N 1 0 355.442 2.104 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)[C@]2(F)CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000175587996 546315829 /nfs/dbraw/zinc/31/58/29/546315829.db2.gz PPTHREWAPZSVHM-SFHVURJKSA-N 1 0 355.454 2.102 20 30 FEEDRO C=CCc1ccccc1OC[C@H](O)C[NH+]1CCC(O[C@H]2CCOC2)CC1 ZINC000480306672 561206860 /nfs/dbraw/zinc/20/68/60/561206860.db2.gz KSZMHZBIMMZXMN-QUCCMNQESA-N 1 0 361.482 2.425 20 30 FEEDRO CCCNC(=O)C1([NH2+]CC(=O)N(C)C2(C#N)CCCCC2)CCCCC1 ZINC000177120632 546548479 /nfs/dbraw/zinc/54/84/79/546548479.db2.gz GFDCWSSCRLMPGS-UHFFFAOYSA-N 1 0 362.518 2.490 20 30 FEEDRO CC[C@](C)([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCCC2)C(N)=O ZINC000177136375 546553775 /nfs/dbraw/zinc/55/37/75/546553775.db2.gz NBISQELXOYQUJF-SFHVURJKSA-N 1 0 362.499 2.461 20 30 FEEDRO CC[NH+](CC)C[C@H]1CCN(S(=O)(=O)Cc2ccc(C#N)cc2F)C1 ZINC000481069498 561224300 /nfs/dbraw/zinc/22/43/00/561224300.db2.gz ILGHIUXDFQMKRM-OAHLLOKOSA-N 1 0 353.463 2.191 20 30 FEEDRO C#CCOc1ccc([C@H](C)[NH2+]CC2CCN(S(C)(=O)=O)CC2)cc1 ZINC000178262714 546766360 /nfs/dbraw/zinc/76/63/60/546766360.db2.gz FQXYFURHHAWBDH-HNNXBMFYSA-N 1 0 350.484 2.021 20 30 FEEDRO Cc1c(C#N)cccc1NC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000178909250 546872116 /nfs/dbraw/zinc/87/21/16/546872116.db2.gz BUUHHGDVWQANGP-APWZRJJASA-N 1 0 366.465 2.281 20 30 FEEDRO C[C@H](C#N)Oc1ccc(C[NH+]2CCC(C(=O)N3CCOCC3)CC2)cc1 ZINC000179689394 546999232 /nfs/dbraw/zinc/99/92/32/546999232.db2.gz QMFKNJOUIOZFFQ-MRXNPFEDSA-N 1 0 357.454 2.048 20 30 FEEDRO C=CCC[C@H]([NH2+]CC(=O)N1CCN(C(=O)C2CC2)CC1)c1ccccc1 ZINC000180041875 547043191 /nfs/dbraw/zinc/04/31/91/547043191.db2.gz ZMIXEIUFRLQQNF-IBGZPJMESA-N 1 0 355.482 2.364 20 30 FEEDRO CC(C)[C@H](CNC(=O)Nc1ccccc1O[C@H](C)C#N)[NH+]1CCN(C)CC1 ZINC000180081943 547048478 /nfs/dbraw/zinc/04/84/78/547048478.db2.gz NTOFQUJCDSLQRE-AEFFLSMTSA-N 1 0 373.501 2.371 20 30 FEEDRO C=CCNC(=O)CNC(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000180651291 547150903 /nfs/dbraw/zinc/15/09/03/547150903.db2.gz YVHUGOPZTSEYGE-UHFFFAOYSA-N 1 0 358.486 2.164 20 30 FEEDRO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000181275466 547283472 /nfs/dbraw/zinc/28/34/72/547283472.db2.gz XYYHEEWBTRHZFQ-LSDHHAIUSA-N 1 0 358.442 2.302 20 30 FEEDRO CS[C@H]1CN(C(=O)c2ncc(C#N)cc2Cl)C[C@H]1[NH+]1CCCC1 ZINC000483390719 561275543 /nfs/dbraw/zinc/27/55/43/561275543.db2.gz CTYBZYGDWZQPKM-KGLIPLIRSA-N 1 0 350.875 2.258 20 30 FEEDRO C[C@@H]([NH2+]C[C@@]1(N2CCOCC2)CCSC1)c1ccc(OCC#N)cc1 ZINC000181578519 547339172 /nfs/dbraw/zinc/33/91/72/547339172.db2.gz OFKSKSUONGJOFO-APWZRJJASA-N 1 0 361.511 2.447 20 30 FEEDRO CNC(=O)C[C@@H]([NH2+]CCOc1ccc(C#N)cc1OC)c1ccccc1 ZINC000483420430 561276743 /nfs/dbraw/zinc/27/67/43/561276743.db2.gz MTMSMABBCANUTM-QGZVFWFLSA-N 1 0 353.422 2.413 20 30 FEEDRO CC(C)[C@@H](CNC(=O)C(=O)Nc1ccccc1O[C@H](C)C#N)[NH+]1CCCC1 ZINC000181737371 547370195 /nfs/dbraw/zinc/37/01/95/547370195.db2.gz XOAUGTNUVVLEPT-NVXWUHKLSA-N 1 0 372.469 2.153 20 30 FEEDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccccc2O[C@@H](C)C#N)C1 ZINC000181881620 547397607 /nfs/dbraw/zinc/39/76/07/547397607.db2.gz DAEUFQWSCMPIFN-HOTGVXAUSA-N 1 0 372.469 2.106 20 30 FEEDRO N#Cc1ccc(CN2CCC([NH2+]CCc3cccc(C(N)=O)c3)CC2)cc1 ZINC000181930818 547407179 /nfs/dbraw/zinc/40/71/79/547407179.db2.gz MPGYIQSTELPDMM-UHFFFAOYSA-N 1 0 362.477 2.454 20 30 FEEDRO C[C@H](CCNC(=O)c1ccc(-n2ncc(C#N)c2N)cc1)[NH+]1CCCCC1 ZINC000182237975 547459041 /nfs/dbraw/zinc/45/90/41/547459041.db2.gz AGEDNXXGIJUREY-OAHLLOKOSA-N 1 0 366.469 2.320 20 30 FEEDRO C[C@@H]1C[C@H](C)C[N@@H+](CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)C1 ZINC000182621988 547523579 /nfs/dbraw/zinc/52/35/79/547523579.db2.gz NXSJCTAZJPIYRJ-BBWFWOEESA-N 1 0 360.527 2.435 20 30 FEEDRO C=C(C)CN(C)C(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000182780489 547551408 /nfs/dbraw/zinc/55/14/08/547551408.db2.gz BFWWVHOGEXWHKI-SFHVURJKSA-N 1 0 358.486 2.101 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cc(C3CCCC3)nn2C)CC1 ZINC000183044056 547591121 /nfs/dbraw/zinc/59/11/21/547591121.db2.gz OYTABSIJFXHVTE-UHFFFAOYSA-N 1 0 373.501 2.173 20 30 FEEDRO CC(C)[N@H+](CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1)C1CC1 ZINC000183167687 547614842 /nfs/dbraw/zinc/61/48/42/547614842.db2.gz XBWLTQQNCACAEA-LJQANCHMSA-N 1 0 358.461 2.407 20 30 FEEDRO CCO[C@@H]1COCC[C@@H]1[NH2+]CC(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000484649599 561302386 /nfs/dbraw/zinc/30/23/86/561302386.db2.gz ROTWGCAMKQUSIS-RBUKOAKNSA-N 1 0 359.470 2.334 20 30 FEEDRO CC[N@H+](CCO)CCNC(=O)c1cccc(COc2ccccc2C#N)c1 ZINC000184003602 547753112 /nfs/dbraw/zinc/75/31/12/547753112.db2.gz PMSQELZXBMJSMW-UHFFFAOYSA-N 1 0 367.449 2.181 20 30 FEEDRO Cn1cc(-c2cc(CO/[NH+]=C/c3ccc(N4CCOCC4)cc3)on2)cn1 ZINC000184419649 547824737 /nfs/dbraw/zinc/82/47/37/547824737.db2.gz RRJVHDXPPCABBF-SRZZPIQSSA-N 1 0 367.409 2.462 20 30 FEEDRO C[C@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)[C@H]1COc2ccccc21 ZINC000185592155 548006092 /nfs/dbraw/zinc/00/60/92/548006092.db2.gz RDODVBHWPNFSCT-KBXCAEBGSA-N 1 0 356.447 2.486 20 30 FEEDRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)N[C@H](CCC#N)c1ccccc1 ZINC000185883361 548052030 /nfs/dbraw/zinc/05/20/30/548052030.db2.gz PDCFCPOQHFJNFQ-PKOBYXMFSA-N 1 0 357.502 2.357 20 30 FEEDRO C[C@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCC(Cn2cncn2)CC1 ZINC000186264544 548110080 /nfs/dbraw/zinc/11/00/80/548110080.db2.gz BHQGPMZZJPIJGC-QGZVFWFLSA-N 1 0 366.469 2.325 20 30 FEEDRO C[C@@H]1CN(C(=O)Nc2cc(C#N)cn2C(C)(C)C)CC[N@@H+]1CC(C)(C)O ZINC000186938273 548223841 /nfs/dbraw/zinc/22/38/41/548223841.db2.gz UBLQQFCTGNOHTF-CQSZACIVSA-N 1 0 361.490 2.424 20 30 FEEDRO Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000186988114 548235428 /nfs/dbraw/zinc/23/54/28/548235428.db2.gz WMWIDYBQMLAORF-UHFFFAOYSA-N 1 0 368.485 2.093 20 30 FEEDRO COc1ccc2nc(CN(CCC#N)CCN3CCOCC3)sc2c1 ZINC000187112962 548251310 /nfs/dbraw/zinc/25/13/10/548251310.db2.gz HWQJNPDJVXTYTB-UHFFFAOYSA-N 1 0 360.483 2.353 20 30 FEEDRO C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000189932184 548314359 /nfs/dbraw/zinc/31/43/59/548314359.db2.gz UFFLMZAOJBIFLS-ROUUACIJSA-N 1 0 372.513 2.099 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)Nc1ncc(CC)s1)C(C)C ZINC000190318445 548322454 /nfs/dbraw/zinc/32/24/54/548322454.db2.gz PYEBTUIIFHDOFN-OAHLLOKOSA-N 1 0 364.515 2.459 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ncc(C(C)C)s2)CC1 ZINC000190456058 548325538 /nfs/dbraw/zinc/32/55/38/548325538.db2.gz BZLPYUQUUHSJRL-UHFFFAOYSA-N 1 0 350.488 2.362 20 30 FEEDRO C=CCN(CCOC)[C@H](C)C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000191129238 548340526 /nfs/dbraw/zinc/34/05/26/548340526.db2.gz BQOGTVXRJNUDKX-ZIUDEIKKSA-N 1 0 363.502 2.304 20 30 FEEDRO C=CCNC(=O)NC(=O)C[NH2+]C(C)(C)c1ccc(OC(F)(F)F)cc1 ZINC000191690353 548349335 /nfs/dbraw/zinc/34/93/35/548349335.db2.gz PMFZFKNPGOTBKQ-UHFFFAOYSA-N 1 0 359.348 2.422 20 30 FEEDRO CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000192128943 548359967 /nfs/dbraw/zinc/35/99/67/548359967.db2.gz UGXIEDLVFOHMRA-KBAYOESNSA-N 1 0 351.397 2.439 20 30 FEEDRO N#CCOc1ccc(CNc2cc(N3CCCC[C@@H]3CO)ncn2)cc1 ZINC000192302111 548362920 /nfs/dbraw/zinc/36/29/20/548362920.db2.gz YOMZQDKEVZLWJB-MRXNPFEDSA-N 1 0 353.426 2.342 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)Nc1ccc(Cl)cn1)C(C)C ZINC000192936317 548376423 /nfs/dbraw/zinc/37/64/23/548376423.db2.gz FZDTXFCKFUNHPE-HNNXBMFYSA-N 1 0 364.877 2.488 20 30 FEEDRO C#Cc1cccc(NC(=O)C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000194629377 548508187 /nfs/dbraw/zinc/50/81/87/548508187.db2.gz USIUEHWVZZEUIA-LJQANCHMSA-N 1 0 361.445 2.245 20 30 FEEDRO C[S@](=O)c1ccc(C[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 ZINC000486905883 561359371 /nfs/dbraw/zinc/35/93/71/561359371.db2.gz RTDJCZFSHZJNID-SIBVEZHUSA-N 1 0 367.474 2.186 20 30 FEEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)C[NH2+]CCOC ZINC000237144068 548803710 /nfs/dbraw/zinc/80/37/10/548803710.db2.gz YVXKFGFEPFLBAB-UHFFFAOYSA-N 1 0 359.239 2.339 20 30 FEEDRO C=CCN1C(=S)N=NC1c1sc(NC(=O)[C@@H]2CC[C@H]([NH3+])C2)nc1C ZINC000237669986 548844023 /nfs/dbraw/zinc/84/40/23/548844023.db2.gz ZOBJSKPNVNYJHT-ZJUUUORDSA-N 1 0 364.500 2.251 20 30 FEEDRO COCCOC[C@@H]1CC[N@@H+]([C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1 ZINC000245439817 548920297 /nfs/dbraw/zinc/92/02/97/548920297.db2.gz GAJSIWJJTBCTDK-AGYKMIKPSA-N 1 0 365.518 2.291 20 30 FEEDRO CC[C@@H]1CN([C@H](C)C(=O)NC2(C#N)CCCCC2)CCN1CC(F)F ZINC000245746559 548987168 /nfs/dbraw/zinc/98/71/68/548987168.db2.gz MZNVYKBUUBJZIL-HUUCEWRRSA-N 1 0 356.461 2.379 20 30 FEEDRO C[C@@H]1CC[N@H+](CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)[C@H]1C ZINC000245848182 549002259 /nfs/dbraw/zinc/00/22/59/549002259.db2.gz LTOBDCYZXBJNGG-JTDSTZFVSA-N 1 0 358.461 2.265 20 30 FEEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SC[C@H](O)CSC ZINC000488324733 561387936 /nfs/dbraw/zinc/38/79/36/561387936.db2.gz VNAYCYVZVYQXIB-CQSZACIVSA-N 1 0 356.561 2.309 20 30 FEEDRO C=CCC[C@H](O)C[N@H+]1CCC[C@H](CNS(=O)(=O)c2ccc(C)cc2)C1 ZINC000246042414 549040856 /nfs/dbraw/zinc/04/08/56/549040856.db2.gz SBIUOBPXFCJHKZ-MSOLQXFVSA-N 1 0 366.527 2.312 20 30 FEEDRO C=CCSCCNC(=O)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000246477500 549141158 /nfs/dbraw/zinc/14/11/58/549141158.db2.gz ATRALNLPMVOZNF-ROUUACIJSA-N 1 0 363.527 2.088 20 30 FEEDRO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000246581327 549168002 /nfs/dbraw/zinc/16/80/02/549168002.db2.gz GCXQEECJPWTLAR-ZWKOTPCHSA-N 1 0 366.469 2.325 20 30 FEEDRO CC(=O)N1CC[C@H](C[N@@H+](C)[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000246936865 549247103 /nfs/dbraw/zinc/24/71/03/549247103.db2.gz SDKMYBFTAYISBP-GXTWGEPZSA-N 1 0 374.510 2.236 20 30 FEEDRO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@@](O)(C3CC3)C2)cc1 ZINC000489162348 561404830 /nfs/dbraw/zinc/40/48/30/561404830.db2.gz RSKALOFVVWACNU-FQEVSTJZSA-N 1 0 357.454 2.179 20 30 FEEDRO C[C@H]1CCN(CC(=O)N[C@](C)(C#N)C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000247705068 549373524 /nfs/dbraw/zinc/37/35/24/549373524.db2.gz YRCYEDCWTWCRNB-LAUBAEHRSA-N 1 0 354.498 2.391 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cccc(C(=O)NCCOC)c2)CC1 ZINC000489429841 561411180 /nfs/dbraw/zinc/41/11/80/561411180.db2.gz JQRSHEKHLDCKSA-UHFFFAOYSA-N 1 0 374.485 2.225 20 30 FEEDRO CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000249097896 549550412 /nfs/dbraw/zinc/55/04/12/549550412.db2.gz UGXIEDLVFOHMRA-SZMVWBNQSA-N 1 0 351.397 2.439 20 30 FEEDRO C[NH+](C)Cc1ccc(CNS(=O)(=O)c2ccc(C#N)c(F)c2)cc1F ZINC000489690412 561417084 /nfs/dbraw/zinc/41/70/84/561417084.db2.gz VYPCLIXLUCIQTC-UHFFFAOYSA-N 1 0 365.405 2.377 20 30 FEEDRO CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000249410927 549589092 /nfs/dbraw/zinc/58/90/92/549589092.db2.gz VGJKSBVIZSMIOZ-APWZRJJASA-N 1 0 373.497 2.265 20 30 FEEDRO CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](CC(=O)N(CC)C[C@H](C)C#N)C1 ZINC000255122221 549704130 /nfs/dbraw/zinc/70/41/30/549704130.db2.gz LNCQPIDYUXWXJN-BRWVUGGUSA-N 1 0 350.507 2.011 20 30 FEEDRO CC[S@](=O)[C@H]1CCC[C@@H](N/C(NCc2cn3ccsc3n2)=[NH+]/C)C1 ZINC000261626326 549735775 /nfs/dbraw/zinc/73/57/75/549735775.db2.gz BXZLMHIABRMQHY-GTVBZTTRSA-N 1 0 367.544 2.141 20 30 FEEDRO C[NH+]=C(NCCc1ccncc1)N(C)Cc1cc(Br)cn1C ZINC000261770629 549753476 /nfs/dbraw/zinc/75/34/76/549753476.db2.gz NZHTWWHQYJVIMY-UHFFFAOYSA-N 1 0 364.291 2.433 20 30 FEEDRO CNC(=O)CC1CCN(C(NCc2cc(-c3ccccc3)no2)=[NH+]C)CC1 ZINC000261822234 549759658 /nfs/dbraw/zinc/75/96/58/549759658.db2.gz UPDQHQHCHXPGRB-UHFFFAOYSA-N 1 0 369.469 2.265 20 30 FEEDRO CCC(=O)N1CC[C@@H](NC(NCc2coc(-c3ccccc3)n2)=[NH+]C)C1 ZINC000261942669 549771817 /nfs/dbraw/zinc/77/18/17/549771817.db2.gz DVGKEVPIBJQUMF-OAHLLOKOSA-N 1 0 355.442 2.018 20 30 FEEDRO CCC(=O)N1CC[C@@H](NC(NCc2cc(-c3ccccc3)no2)=[NH+]C)C1 ZINC000261970585 549775450 /nfs/dbraw/zinc/77/54/50/549775450.db2.gz MOPOPIPCVHZHQZ-OAHLLOKOSA-N 1 0 355.442 2.018 20 30 FEEDRO COc1cc(C#N)ccc1S(=O)(=O)NCC[NH2+]C1CCCCCC1 ZINC000262085895 549787878 /nfs/dbraw/zinc/78/78/78/549787878.db2.gz RCSRYVXEPPQKHZ-UHFFFAOYSA-N 1 0 351.472 2.158 20 30 FEEDRO Cc1cc(C)c(CNC(NC[C@H]2CCS(=O)(=O)C2)=[NH+]C(C)C)c(C)c1 ZINC000262340914 549812303 /nfs/dbraw/zinc/81/23/03/549812303.db2.gz CPLLYBXPJNEGCL-QGZVFWFLSA-N 1 0 365.543 2.490 20 30 FEEDRO C[NH+]=C(NC[C@@H](C)N1CCc2sccc2C1)N1CC[C@H](COC)C1 ZINC000262450087 549820349 /nfs/dbraw/zinc/82/03/49/549820349.db2.gz JPKKJZQXHPQMQK-CABCVRRESA-N 1 0 350.532 2.038 20 30 FEEDRO CC[NH+]=C(NC[C@@H]1CCc2nnc(C)n2C1)N[C@H]1CCc2ccccc2C1 ZINC000262511367 549825392 /nfs/dbraw/zinc/82/53/92/549825392.db2.gz OZQFGXNXJWIUCW-LPHOPBHVSA-N 1 0 366.513 2.262 20 30 FEEDRO COc1cc(CNC(=[NH2+])N[C@H]2CCOc3ccccc32)cc(OC)c1O ZINC000262545903 549827622 /nfs/dbraw/zinc/82/76/22/549827622.db2.gz RZZQOACAHZYAFD-AWEZNQCLSA-N 1 0 357.410 2.338 20 30 FEEDRO C=CCN1C(=O)c2ccc(C(=O)NC[C@@H](C)C[NH+]3CCCCC3)cc2C1=O ZINC000490647880 561436639 /nfs/dbraw/zinc/43/66/39/561436639.db2.gz JKFMRTPHXTXZAA-OAHLLOKOSA-N 1 0 369.465 2.320 20 30 FEEDRO C=C(C)COc1cccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000263875606 549949604 /nfs/dbraw/zinc/94/96/04/549949604.db2.gz NHOWUDISIOVTLQ-MSOLQXFVSA-N 1 0 357.454 2.323 20 30 FEEDRO CCOC(=O)N1CCC(NC(=[NH2+])NCc2ccccc2OC(F)F)CC1 ZINC000264056104 549973589 /nfs/dbraw/zinc/97/35/89/549973589.db2.gz ASSQILWZJFDDFS-UHFFFAOYSA-N 1 0 370.400 2.313 20 30 FEEDRO Cc1cc(C)cc(NC(=[NH2+])NC[C@@H](O)COc2ccc3c(c2)OCO3)c1 ZINC000264078146 549976136 /nfs/dbraw/zinc/97/61/36/549976136.db2.gz GKFINLKLBNNDQX-OAHLLOKOSA-N 1 0 357.410 2.199 20 30 FEEDRO COCCOc1ccc(CNC(=[NH2+])NCc2ccc(OC)c(OC)c2)cc1 ZINC000264115423 549980606 /nfs/dbraw/zinc/98/06/06/549980606.db2.gz SIZJYZOHRJOUEX-UHFFFAOYSA-N 1 0 373.453 2.334 20 30 FEEDRO COc1ccc(NC(=[NH2+])NC[C@H]2CN(Cc3ccccc3)CCO2)cc1 ZINC000264118438 549981261 /nfs/dbraw/zinc/98/12/61/549981261.db2.gz QLUXDAAARHZSJN-IBGZPJMESA-N 1 0 354.454 2.323 20 30 FEEDRO COc1ccc([C@@H](CNC(=[NH2+])Nc2ccccc2)N2CCOCC2)cc1 ZINC000264136296 549983824 /nfs/dbraw/zinc/98/38/24/549983824.db2.gz VIRXTFMOMYQBIJ-LJQANCHMSA-N 1 0 354.454 2.495 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)CCCc1ccc2c(c1)CC(=O)N2 ZINC000264136179 549983912 /nfs/dbraw/zinc/98/39/12/549983912.db2.gz FPJRFEWCCSGUEG-UHFFFAOYSA-N 1 0 356.470 2.198 20 30 FEEDRO N#CCCCCNC(=O)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000264199471 549991763 /nfs/dbraw/zinc/99/17/63/549991763.db2.gz QZOZYOIUEZJHCO-UHFFFAOYSA-N 1 0 356.470 2.464 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccc(OC)c(OCCOC)c2)CC1 ZINC000264396596 549995115 /nfs/dbraw/zinc/99/51/15/549995115.db2.gz YDTVVRJTVVGDJD-UHFFFAOYSA-N 1 0 363.458 2.492 20 30 FEEDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)NCC#Cc2ccccc2)[C@@H](C)C1 ZINC000265156399 550006623 /nfs/dbraw/zinc/00/66/23/550006623.db2.gz CZJSOGKYCFOBJE-ICSRJNTNSA-N 1 0 357.498 2.474 20 30 FEEDRO C[NH+](C)CCOc1ccccc1N1CCN(C[C@H](C#N)CCC#N)CC1 ZINC000265671719 550013137 /nfs/dbraw/zinc/01/31/37/550013137.db2.gz WPZAUOIDLPEYPD-SFHVURJKSA-N 1 0 355.486 2.193 20 30 FEEDRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C1(C#N)CCOCC1 ZINC000266500283 550020987 /nfs/dbraw/zinc/02/09/87/550020987.db2.gz WOMJLCRRHUSCIZ-UHFFFAOYSA-N 1 0 372.469 2.096 20 30 FEEDRO C[N@H+](CCCOc1cccc(S(C)(=O)=O)c1)CCCSCC#N ZINC000266716680 550023472 /nfs/dbraw/zinc/02/34/72/550023472.db2.gz ITOIRJIMZJZTMP-UHFFFAOYSA-N 1 0 356.513 2.438 20 30 FEEDRO COc1ccc(CCNC(=[NH2+])NC[C@](C)(O)c2ccsc2)cc1OC ZINC000267417881 550030940 /nfs/dbraw/zinc/03/09/40/550030940.db2.gz JREZSMXROOKCCK-SFHVURJKSA-N 1 0 363.483 2.120 20 30 FEEDRO N#CCCN(C(=O)CN1CCC2(CNC(=O)C2)CC1)c1cccc(Cl)c1 ZINC000267679112 550033942 /nfs/dbraw/zinc/03/39/42/550033942.db2.gz PZCIRBVBWZMYSM-UHFFFAOYSA-N 1 0 374.872 2.189 20 30 FEEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)NCCc3ccncc3)CC2)cc1 ZINC000268606604 550093429 /nfs/dbraw/zinc/09/34/29/550093429.db2.gz HQHJBNFGNWUOGK-UHFFFAOYSA-N 1 0 363.465 2.413 20 30 FEEDRO O=C(NCC#Cc1ccccc1)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000268948782 550135737 /nfs/dbraw/zinc/13/57/37/550135737.db2.gz CFDDVZWELMPSMW-PMACEKPBSA-N 1 0 355.482 2.105 20 30 FEEDRO C=CCOc1c(Br)cc(C[NH2+][C@@H](C)C(=O)NC)cc1OC ZINC000492403221 561451058 /nfs/dbraw/zinc/45/10/58/561451058.db2.gz ZACATCWBHDQAKC-JTQLQIEISA-N 1 0 357.248 2.247 20 30 FEEDRO CC(C)[NH+](CCNC(=O)C(=O)Nc1ccc(C#N)cc1Cl)C(C)C ZINC000269101707 550154996 /nfs/dbraw/zinc/15/49/96/550154996.db2.gz OIAGQPHVCGIRGW-UHFFFAOYSA-N 1 0 350.850 2.385 20 30 FEEDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)Nc3ccc(C#N)cc3Cl)CC[C@@H]21 ZINC000269121034 550157759 /nfs/dbraw/zinc/15/77/59/550157759.db2.gz SGBHYZVDKGIEHO-CJNGLKHVSA-N 1 0 360.845 2.093 20 30 FEEDRO C=CCC[C@@H](NC(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O)c1ccccc1 ZINC000269335432 550182506 /nfs/dbraw/zinc/18/25/06/550182506.db2.gz DJKAHVBLFWTHHU-MSOLQXFVSA-N 1 0 358.486 2.333 20 30 FEEDRO C[NH+](C)CCNC(=O)c1cccc(CNCc2ccc(C#N)cc2F)c1 ZINC000269431477 550194990 /nfs/dbraw/zinc/19/49/90/550194990.db2.gz PQBNPNWYPHHRSS-UHFFFAOYSA-N 1 0 354.429 2.279 20 30 FEEDRO N#Cc1ccnc(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)CC2)c1 ZINC000269664647 550215231 /nfs/dbraw/zinc/21/52/31/550215231.db2.gz KMHISFLNPPNCGF-SFHVURJKSA-N 1 0 353.470 2.009 20 30 FEEDRO COCCC[NH+]1CCC(NC(=O)NC2(c3cccc(C#N)c3)CC2)CC1 ZINC000269686311 550216780 /nfs/dbraw/zinc/21/67/80/550216780.db2.gz NQSCDDFHXRMUIK-UHFFFAOYSA-N 1 0 356.470 2.347 20 30 FEEDRO CC(C)[NH+](CCCNC(=O)C(=O)N1CCc2ccc(C#N)cc21)C(C)C ZINC000270169752 550253617 /nfs/dbraw/zinc/25/36/17/550253617.db2.gz JVGWVQVKHOMGCX-UHFFFAOYSA-N 1 0 356.470 2.072 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)CC1 ZINC000493836371 561458472 /nfs/dbraw/zinc/45/84/72/561458472.db2.gz POEDATSVLRZJLW-UKRRQHHQSA-N 1 0 363.424 2.229 20 30 FEEDRO C#CC[C@H](NC(=O)N1CC[C@@H](N2CC[NH+](CC)CC2)C1)c1ccccc1 ZINC000270375321 550266646 /nfs/dbraw/zinc/26/66/46/550266646.db2.gz UVDIYLTVVFDEDH-UXHICEINSA-N 1 0 354.498 2.172 20 30 FEEDRO N#Cc1csc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)c1 ZINC000270584426 550286469 /nfs/dbraw/zinc/28/64/69/550286469.db2.gz DFJXEJGOYLMXBI-IAGOWNOFSA-N 1 0 355.463 2.233 20 30 FEEDRO CCC[C@@H]1CN(CC(=O)N(CCC#N)c2ccccc2)CC[N@@H+]1CCOC ZINC000270979519 550327737 /nfs/dbraw/zinc/32/77/37/550327737.db2.gz CCENKIFUSSFWGF-HXUWFJFHSA-N 1 0 372.513 2.366 20 30 FEEDRO C=CCc1cc(C[N@H+](C)C[C@@H](O)COCCOC(C)C)cc(OC)c1O ZINC000271126365 550342659 /nfs/dbraw/zinc/34/26/59/550342659.db2.gz HJDPEILUKJHAFJ-GOSISDBHSA-N 1 0 367.486 2.364 20 30 FEEDRO C=CCN(C(=O)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)C1CC1 ZINC000271569140 550386509 /nfs/dbraw/zinc/38/65/09/550386509.db2.gz PJAXQNGFLVDEPH-SFHVURJKSA-N 1 0 370.497 2.244 20 30 FEEDRO COc1cccc([C@H](C)[NH2+]CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)c1 ZINC000271708429 550396715 /nfs/dbraw/zinc/39/67/15/550396715.db2.gz UPGMWZFRMNQYMG-QFBILLFUSA-N 1 0 358.486 2.038 20 30 FEEDRO C#Cc1cc(F)c(NC(=O)C(=O)NC[C@H](C)C[NH+]2CCCCC2)c(F)c1 ZINC000271741523 550398772 /nfs/dbraw/zinc/39/87/72/550398772.db2.gz VZYPKYVHMHOFFC-ZDUSSCGKSA-N 1 0 363.408 2.123 20 30 FEEDRO C=C(C)[C@H]1OCC[C@H]1C(=O)NCc1ccccc1CN1CC[NH+](CC)CC1 ZINC000494278556 561466281 /nfs/dbraw/zinc/46/62/81/561466281.db2.gz AXOKSKZIICFISA-NHCUHLMSSA-N 1 0 371.525 2.422 20 30 FEEDRO C=CCNC(=O)c1ccc(NC(=O)N2C[C@@H](SC)[C@@H]([NH+](C)C)C2)cc1 ZINC000272329597 550438430 /nfs/dbraw/zinc/43/84/30/550438430.db2.gz KBKAUVKYJAWWGC-JKSUJKDBSA-N 1 0 362.499 2.112 20 30 FEEDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)Nc3ccccc3SCCC#N)[C@H]2C1 ZINC000272358771 550440452 /nfs/dbraw/zinc/44/04/52/550440452.db2.gz RVNWMWNHXRAYJC-ZBFHGGJFSA-N 1 0 372.494 2.183 20 30 FEEDRO CC1(C#N)CC[NH+](CCC(=O)Nc2ccc(N3CCOCC3)cc2)CC1 ZINC000272613908 550460888 /nfs/dbraw/zinc/46/08/88/550460888.db2.gz SSUGRPHJKJOBGO-UHFFFAOYSA-N 1 0 356.470 2.477 20 30 FEEDRO C=CC[C@H](CO)NC(=O)Nc1ccc(OC)c(OCC[NH+](CC)CC)c1 ZINC000273302389 550493698 /nfs/dbraw/zinc/49/36/98/550493698.db2.gz BVINBJXLGFRCOZ-MRXNPFEDSA-N 1 0 365.474 2.474 20 30 FEEDRO CN(C(=[NH2+])NCc1ccc(N2CCOCC2)cc1C(F)(F)F)C1CC1 ZINC000273330082 550494653 /nfs/dbraw/zinc/49/46/53/550494653.db2.gz JHYJAFMLOGTXBI-UHFFFAOYSA-N 1 0 356.392 2.451 20 30 FEEDRO C[C@H](CNC1=[NH+]C[C@H]2CN(C(=O)OC(C)(C)C)CCN12)c1nccs1 ZINC000273498738 550500798 /nfs/dbraw/zinc/50/07/98/550500798.db2.gz OXRWFONPGWNPKO-OLZOCXBDSA-N 1 0 365.503 2.127 20 30 FEEDRO C#CCN(C(=O)N[C@@H](c1nccn1C)c1cc(OC)cc(OC)c1)C1CC1 ZINC000274075050 550522055 /nfs/dbraw/zinc/52/20/55/550522055.db2.gz GCSIIWJKZKRPQQ-GOSISDBHSA-N 1 0 368.437 2.334 20 30 FEEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCC(=O)N[C@@](C)(C#N)C1CC1 ZINC000274838558 550558415 /nfs/dbraw/zinc/55/84/15/550558415.db2.gz NWUDVWGYZKWGMH-PBEJRMEISA-N 1 0 354.498 2.295 20 30 FEEDRO C[C@H](C#N)CN(C)C(=O)C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000275734610 550574064 /nfs/dbraw/zinc/57/40/64/550574064.db2.gz VGJOAWPIHZHPSM-HZPDHXFCSA-N 1 0 356.470 2.475 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)NC[C@]2(Cc3ccc(F)cc3)CCC[C@H]2O)CC1 ZINC000277582436 550687492 /nfs/dbraw/zinc/68/74/92/550687492.db2.gz OOVUDJBSNZKXLD-IFMALSPDSA-N 1 0 372.484 2.361 20 30 FEEDRO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](C[C@H](O)COc1ccccc1)C(C)C ZINC000277716372 550705724 /nfs/dbraw/zinc/70/57/24/550705724.db2.gz FQBWXVLFBCVGGO-ROUUACIJSA-N 1 0 361.486 2.145 20 30 FEEDRO C=CCOc1ccc(C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)cc1OC ZINC000278415723 550783196 /nfs/dbraw/zinc/78/31/96/550783196.db2.gz FSPMNDUBPLMMPM-INIZCTEOSA-N 1 0 362.470 2.491 20 30 FEEDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1CCC(=O)Nc1ccc(C#N)cc1 ZINC000278600435 550803150 /nfs/dbraw/zinc/80/31/50/550803150.db2.gz IJJUKEXJMVRUNB-INIZCTEOSA-N 1 0 356.470 2.072 20 30 FEEDRO C=C(C)[C@H]1OCC[C@H]1C(=O)NCc1ccc(OCC[NH+](C)C)c(OC)c1 ZINC000278630648 550806101 /nfs/dbraw/zinc/80/61/01/550806101.db2.gz KQAWBOWUBQJYCX-VQIMIIECSA-N 1 0 362.470 2.233 20 30 FEEDRO C[C@@H]1C[N@H+](CCCNC(=O)/C=C/c2ccc(OCC#N)cc2)CCCO1 ZINC000278682820 550811111 /nfs/dbraw/zinc/81/11/11/550811111.db2.gz ULVJGBFHLYIORE-RCMYXZNBSA-N 1 0 357.454 2.219 20 30 FEEDRO C[C@@H]1C[N@@H+](CCCNC(=O)c2cc(-c3cccc(C#N)c3)no2)C[C@H](C)O1 ZINC000278898090 550833677 /nfs/dbraw/zinc/83/36/77/550833677.db2.gz FJTMNLCEZSKZLJ-GASCZTMLSA-N 1 0 368.437 2.442 20 30 FEEDRO C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC000278918099 550835605 /nfs/dbraw/zinc/83/56/05/550835605.db2.gz UNZKSNJBJPLWRZ-JKSUJKDBSA-N 1 0 357.454 2.037 20 30 FEEDRO C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1ccc(OCCN2CC[NH+](C)CC2)cc1 ZINC000279276214 550872346 /nfs/dbraw/zinc/87/23/46/550872346.db2.gz XFYQTRJIWWXEQY-WOJBJXKFSA-N 1 0 373.497 2.233 20 30 FEEDRO CS[C@H]1CN(C(=O)c2cc(-c3cccc(C#N)c3)no2)C[C@@H]1[NH+](C)C ZINC000279408226 550886808 /nfs/dbraw/zinc/88/68/08/550886808.db2.gz IOTBLPNQVAJINA-RDJZCZTQSA-N 1 0 356.451 2.331 20 30 FEEDRO N#CCCn1cc(C[N@H+]2CC[C@H](N3CCCC3=O)C2)c(-c2ccncc2)n1 ZINC000279483907 550895261 /nfs/dbraw/zinc/89/52/61/550895261.db2.gz XDTREGWDQXDXRF-SFHVURJKSA-N 1 0 364.453 2.055 20 30 FEEDRO CS[C@@H]1CN(C(=O)[C@@H](Oc2ccccc2C#N)C(C)C)C[C@H]1[NH+](C)C ZINC000495638764 561490069 /nfs/dbraw/zinc/49/00/69/561490069.db2.gz SSVJFMFXKZHMMV-NXHRZFHOSA-N 1 0 361.511 2.466 20 30 FEEDRO CC(C)(C#N)c1ccc(C(=O)N2CCN(CC[NH+]3CCCC3)CC2)cc1 ZINC000280310323 550979252 /nfs/dbraw/zinc/97/92/52/550979252.db2.gz QDYBNAAESOEVQQ-UHFFFAOYSA-N 1 0 354.498 2.341 20 30 FEEDRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000280408072 550990559 /nfs/dbraw/zinc/99/05/59/550990559.db2.gz YHWBFFOMVNEBES-GOSISDBHSA-N 1 0 370.497 2.160 20 30 FEEDRO CCN1CC[NH+](C[C@@H](C)CNC(=O)c2ccc(C(C)(C)C#N)cc2)CC1 ZINC000280501627 551000957 /nfs/dbraw/zinc/00/09/57/551000957.db2.gz LBKKEVXRJCFRJQ-KRWDZBQOSA-N 1 0 356.514 2.491 20 30 FEEDRO CCN(C[C@@H](C)C#N)C(=O)CN1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000280613793 551013493 /nfs/dbraw/zinc/01/34/93/551013493.db2.gz XVTIOAUXHRBCFN-YSIASYRMSA-N 1 0 354.498 2.058 20 30 FEEDRO CN(C(=O)[C@H]1CC[N@H+](CC(=O)NC2(C#N)CCCCC2)C1)c1ccccc1 ZINC000280700350 551022921 /nfs/dbraw/zinc/02/29/21/551022921.db2.gz GYBTWFIQTWZTHT-KRWDZBQOSA-N 1 0 368.481 2.314 20 30 FEEDRO CNC(=O)[C@]1(C)CC[N@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000280705973 551023546 /nfs/dbraw/zinc/02/35/46/551023546.db2.gz HEYRDWUIJZKWMX-HXUWFJFHSA-N 1 0 352.438 2.196 20 30 FEEDRO N#Cc1cccc(OCC[NH+]2CCC(CNC(=O)C(F)(F)F)CC2)c1 ZINC000281226386 551075918 /nfs/dbraw/zinc/07/59/18/551075918.db2.gz FAYLDPBNSSIQKU-UHFFFAOYSA-N 1 0 355.360 2.328 20 30 FEEDRO C=CCN1CC[C@@H](N(C)C(=O)C2CC[NH+](Cc3ccccc3)CC2)C1=O ZINC000281351765 551087427 /nfs/dbraw/zinc/08/74/27/551087427.db2.gz MDZNTRUEQCBOAL-LJQANCHMSA-N 1 0 355.482 2.144 20 30 FEEDRO CCC[C@H]1CN(C(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)CC[N@@H+]1CCOC ZINC000281644680 551124935 /nfs/dbraw/zinc/12/49/35/551124935.db2.gz RIGAZHUZNKDLMC-UXHICEINSA-N 1 0 368.481 2.200 20 30 FEEDRO C[N@@H+]1CCN(CCNC(=O)Nc2cc(C#N)cn2C(C)(C)C)CC1(C)C ZINC000281656182 551126404 /nfs/dbraw/zinc/12/64/04/551126404.db2.gz CUGFKTIONMJDGG-UHFFFAOYSA-N 1 0 360.506 2.262 20 30 FEEDRO COc1cc(C[NH2+][C@@H]2CCN(C(=O)COc3ccccc3)C2)ccc1C#N ZINC000282147102 551186661 /nfs/dbraw/zinc/18/66/61/551186661.db2.gz ADSMVHXXXQTQEF-GOSISDBHSA-N 1 0 365.433 2.336 20 30 FEEDRO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](CNC(=O)C(C)(C)C)C1 ZINC000497405051 561500130 /nfs/dbraw/zinc/50/01/30/561500130.db2.gz FMYWYCYPAFBBAG-GQIGUUNPSA-N 1 0 364.534 2.304 20 30 FEEDRO C#Cc1cc(F)c(NC(=O)C(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)c(F)c1 ZINC000283086313 551309498 /nfs/dbraw/zinc/30/94/98/551309498.db2.gz YOSUACGRMOEXCJ-CHWSQXEVSA-N 1 0 363.408 2.121 20 30 FEEDRO C#Cc1cc(F)c(NC(=O)C(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)c(F)c1 ZINC000283421754 551363605 /nfs/dbraw/zinc/36/36/05/551363605.db2.gz XPVWWHGDJOUCAF-CQSZACIVSA-N 1 0 363.408 2.217 20 30 FEEDRO C[C@@H](NC(=O)C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(C#N)cc1 ZINC000283531155 551382842 /nfs/dbraw/zinc/38/28/42/551382842.db2.gz DDYDHGXIUCZUCP-IXDOHACOSA-N 1 0 370.497 2.220 20 30 FEEDRO C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC000283707005 551413268 /nfs/dbraw/zinc/41/32/68/551413268.db2.gz VUMNIPPDDALFJT-QGZVFWFLSA-N 1 0 374.533 2.258 20 30 FEEDRO C=C(C)CN(CC)C(=O)C(=O)NC[C@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC000283860638 551439828 /nfs/dbraw/zinc/43/98/28/551439828.db2.gz JJWTVAREANPCBZ-LJQANCHMSA-N 1 0 373.497 2.373 20 30 FEEDRO C[C@@H](NC(=O)C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1)c1ccc(C#N)cc1 ZINC000283977696 551460770 /nfs/dbraw/zinc/46/07/70/551460770.db2.gz LUZPVFOPGCFDFJ-APWZRJJASA-N 1 0 368.481 2.212 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)NCc2ccccc2C(F)(F)F)CC1 ZINC000284160717 551495111 /nfs/dbraw/zinc/49/51/11/551495111.db2.gz VLMPWOLAPLSJCP-UHFFFAOYSA-N 1 0 369.387 2.088 20 30 FEEDRO Cc1onc(CC(=O)NCC2CC[NH+](Cc3cccs3)CC2)c1C#N ZINC000498514610 561526565 /nfs/dbraw/zinc/52/65/65/561526565.db2.gz GXSUGGXYGGMVRE-UHFFFAOYSA-N 1 0 358.467 2.487 20 30 FEEDRO C#CCOc1ccc([C@H](C)[NH2+][C@@H]2CCC(=O)N(C)[C@H]2c2ccnn2C)cc1 ZINC000284761667 551626882 /nfs/dbraw/zinc/62/68/82/551626882.db2.gz GWNNWTFCTOGHRB-RRMPHLOHSA-N 1 0 366.465 2.445 20 30 FEEDRO COCC[NH+](CCOC)C1CCN(Cc2ccc(OCC#N)cc2)CC1 ZINC000285532665 551771135 /nfs/dbraw/zinc/77/11/35/551771135.db2.gz PXOIWXJUDLTKKU-UHFFFAOYSA-N 1 0 361.486 2.148 20 30 FEEDRO CC(C)(C#N)CC(=O)N1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000285729935 551802199 /nfs/dbraw/zinc/80/21/99/551802199.db2.gz IVHGKHJCVHYMDS-LJQANCHMSA-N 1 0 354.498 2.345 20 30 FEEDRO C=CCCCN(C)C(=O)C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000285833222 551816824 /nfs/dbraw/zinc/81/68/24/551816824.db2.gz OOFMVCUVHYWSRW-LJQANCHMSA-N 1 0 357.498 2.092 20 30 FEEDRO CN(CCCN1CC[NH+](C)CC1)C(=O)C(C)(C)c1cc(F)cc(C#N)c1 ZINC000286155053 551855384 /nfs/dbraw/zinc/85/53/84/551855384.db2.gz WAXVSNTUVISMNQ-UHFFFAOYSA-N 1 0 360.477 2.071 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCC[C@@H]2c2ccccc2)CC1 ZINC000286624308 551907581 /nfs/dbraw/zinc/90/75/81/551907581.db2.gz MBRDFFWTZDKZJO-MOPGFXCFSA-N 1 0 355.482 2.206 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(C)Cc2cccc(Cl)c2)CC1 ZINC000286643524 551909921 /nfs/dbraw/zinc/90/99/21/551909921.db2.gz MZPPKBAJNDAECK-UHFFFAOYSA-N 1 0 363.889 2.455 20 30 FEEDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000286687687 551914718 /nfs/dbraw/zinc/91/47/18/551914718.db2.gz LPGQPLNZJXANJM-NHYWBVRUSA-N 1 0 355.410 2.084 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)NCc2c(C)oc3ccccc32)CC1 ZINC000286839513 551932031 /nfs/dbraw/zinc/93/20/31/551932031.db2.gz YCJFJLGWSHKJIP-UHFFFAOYSA-N 1 0 355.438 2.124 20 30 FEEDRO N#Cc1ccc(N2CC[C@H](C(=O)N3CC[N@@H+]4CCCC[C@H]4C3)C2)c(F)c1 ZINC000286886047 551936503 /nfs/dbraw/zinc/93/65/03/551936503.db2.gz IUBFRHBWFYKECZ-IRXDYDNUSA-N 1 0 356.445 2.220 20 30 FEEDRO C#CC[C@@H](Cc1ccccc1)NC(=O)NC[C@H](C)C[NH+]1CCN(CC)CC1 ZINC000286887868 551936894 /nfs/dbraw/zinc/93/68/94/551936894.db2.gz DSBZEXFLQYWEHH-FPOVZHCZSA-N 1 0 370.541 2.194 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCO[C@]2(CCCOC2)C1)C(C)C ZINC000287032462 551954110 /nfs/dbraw/zinc/95/41/10/551954110.db2.gz HAXZCXAHXODUOU-UYAOXDASSA-N 1 0 365.518 2.276 20 30 FEEDRO N#Cc1c2c(sc1NC(=O)CCN1CCC[C@](F)(CO)C1)CCC2 ZINC000287140889 551968591 /nfs/dbraw/zinc/96/85/91/551968591.db2.gz YFXCLOHXSJCCDD-QGZVFWFLSA-N 1 0 351.447 2.233 20 30 FEEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000287175087 551972878 /nfs/dbraw/zinc/97/28/78/551972878.db2.gz NDTTWMSXPUZJGE-MOPGFXCFSA-N 1 0 368.481 2.062 20 30 FEEDRO C[C@@H](c1cccnc1)N1CCN(c2cc(N)c([N+](=O)[O-])c(C#N)c2)CC1 ZINC000287292090 551985903 /nfs/dbraw/zinc/98/59/03/551985903.db2.gz MGYPRNULQJADRX-ZDUSSCGKSA-N 1 0 352.398 2.327 20 30 FEEDRO N#Cc1ccnc(N2CC[NH+](C[C@@H](O)Cc3cccc(Cl)c3)CC2)c1 ZINC000287292774 551986172 /nfs/dbraw/zinc/98/61/72/551986172.db2.gz MHGQIJZWDUNLPK-SFHVURJKSA-N 1 0 356.857 2.332 20 30 FEEDRO C#CCN(Cc1ccccc1)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000287381822 551996746 /nfs/dbraw/zinc/99/67/46/551996746.db2.gz IPPOHJJZOPXMRW-LJQANCHMSA-N 1 0 355.482 2.332 20 30 FEEDRO C[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(C#N)o2)CC[N@@H+]1Cc1ccccc1 ZINC000287660010 552031238 /nfs/dbraw/zinc/03/12/38/552031238.db2.gz CSXAVRCGRYZTQT-ZBFHGGJFSA-N 1 0 359.451 2.483 20 30 FEEDRO C[C@H](C(=O)N(CCC#N)CCC[NH+](C)C)n1ccc2ccccc2c1=O ZINC000287754595 552042456 /nfs/dbraw/zinc/04/24/56/552042456.db2.gz LRIUCLCWEOULQE-MRXNPFEDSA-N 1 0 354.454 2.256 20 30 FEEDRO Cc1cccc(NC(=O)C(=O)N[C@@H](C[NH+](C)C)c2ccc(F)cc2)c1C#N ZINC000287935991 552065293 /nfs/dbraw/zinc/06/52/93/552065293.db2.gz SHWQRLRVISGKEV-SFHVURJKSA-N 1 0 368.412 2.363 20 30 FEEDRO CCCN(CC[NH+]1CCCC1)C(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000288997382 552250112 /nfs/dbraw/zinc/25/01/12/552250112.db2.gz LRGYOXUSYLBODA-UHFFFAOYSA-N 1 0 373.501 2.388 20 30 FEEDRO C=CCN(CC=C)C(=O)C[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C ZINC000289427602 552320019 /nfs/dbraw/zinc/32/00/19/552320019.db2.gz VGQYTCOYEKRVLC-JKSUJKDBSA-N 1 0 351.491 2.422 20 30 FEEDRO C=C(C)CN1CCC([NH2+][C@@H]2CCCc3ccc(S(N)(=O)=O)cc32)CC1 ZINC000289725011 552368341 /nfs/dbraw/zinc/36/83/41/552368341.db2.gz LLANVACNGIFGOT-LJQANCHMSA-N 1 0 363.527 2.342 20 30 FEEDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1 ZINC000290086647 552425068 /nfs/dbraw/zinc/42/50/68/552425068.db2.gz PGZNCBNDEQNEBG-GFCCVEGCSA-N 1 0 350.850 2.387 20 30 FEEDRO CCOc1cccc([C@@H](C)[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)c1 ZINC000290119282 552429987 /nfs/dbraw/zinc/42/99/87/552429987.db2.gz YVJDUBMWIJSKGV-CQSZACIVSA-N 1 0 359.451 2.476 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)Nc1ccc(C#N)c(F)c1)C(C)C ZINC000290194501 552441162 /nfs/dbraw/zinc/44/11/62/552441162.db2.gz HCXQOFCSUFBMIF-GOSISDBHSA-N 1 0 372.444 2.451 20 30 FEEDRO CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)C1 ZINC000290438971 552479058 /nfs/dbraw/zinc/47/90/58/552479058.db2.gz RRRWGPBWHOMPGW-IBGZPJMESA-N 1 0 370.432 2.349 20 30 FEEDRO C=CCN(CCc1ccco1)C(=O)C(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000290534439 552494362 /nfs/dbraw/zinc/49/43/62/552494362.db2.gz OIOACSBDLPPDEI-QGZVFWFLSA-N 1 0 361.486 2.217 20 30 FEEDRO C=CCOc1ccc(C(=O)N2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)cc1 ZINC000501074308 561589093 /nfs/dbraw/zinc/58/90/93/561589093.db2.gz FAGSSALUNFYOSG-IBGZPJMESA-N 1 0 357.498 2.494 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](C)c2noc(COCC)n2)CC1 ZINC000291001367 552574563 /nfs/dbraw/zinc/57/45/63/552574563.db2.gz LYPZMDQYGOIOEO-ZDUSSCGKSA-N 1 0 351.451 2.007 20 30 FEEDRO N#C[C@@H]1CN(C(=O)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000291194645 552598591 /nfs/dbraw/zinc/59/85/91/552598591.db2.gz JTHDFNXIKSMWJD-RBUKOAKNSA-N 1 0 356.470 2.223 20 30 FEEDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)C1 ZINC000291636940 552646256 /nfs/dbraw/zinc/64/62/56/552646256.db2.gz BZNUORNUOFBJKV-MSOLQXFVSA-N 1 0 371.485 2.236 20 30 FEEDRO C[NH+]1CCC([C@H]2CCN(S(=O)(=O)c3ccc(C#N)c(F)c3)C2)CC1 ZINC000292166936 552700573 /nfs/dbraw/zinc/70/05/73/552700573.db2.gz DASIWZJPGZXYGT-HNNXBMFYSA-N 1 0 351.447 2.050 20 30 FEEDRO C[C@H]([NH2+]C(C)(C)CNC(=O)C(=O)Nc1ccc(C#N)cn1)c1ccccc1 ZINC000292960789 552775363 /nfs/dbraw/zinc/77/53/63/552775363.db2.gz AKPMVVAFQDRMST-AWEZNQCLSA-N 1 0 365.437 2.137 20 30 FEEDRO Cc1nnsc1CNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000293265632 552805017 /nfs/dbraw/zinc/80/50/17/552805017.db2.gz GHZSBPBTRMGNQP-UHFFFAOYSA-N 1 0 370.482 2.136 20 30 FEEDRO C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc(OCCC)c(Cl)c1 ZINC000293297458 552808821 /nfs/dbraw/zinc/80/88/21/552808821.db2.gz HIJXQULOMCWIIV-UHFFFAOYSA-N 1 0 365.861 2.139 20 30 FEEDRO C=CCC(C)(C)CNC(=O)C(=O)Nc1cccc(N2CC[NH+](CC)CC2)c1 ZINC000293340957 552813046 /nfs/dbraw/zinc/81/30/46/552813046.db2.gz KFXIHOQZTFGZKE-UHFFFAOYSA-N 1 0 372.513 2.486 20 30 FEEDRO C[N@H+](C[C@@H](O)Cc1ccccc1)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000293486251 552828666 /nfs/dbraw/zinc/82/86/66/552828666.db2.gz YMSMJLVVMGWUSU-IRXDYDNUSA-N 1 0 355.463 2.260 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)Nc1cnc(C)s1)C(C)C ZINC000501669668 561603183 /nfs/dbraw/zinc/60/31/83/561603183.db2.gz ZWICVCOCOPOLDQ-CQSZACIVSA-N 1 0 350.488 2.205 20 30 FEEDRO C#CC[N@@H+](C)CCCNC(=O)c1cccc(CSc2nccn2C)c1 ZINC000293987901 552873141 /nfs/dbraw/zinc/87/31/41/552873141.db2.gz NMXIQGFGLPKXOL-UHFFFAOYSA-N 1 0 356.495 2.397 20 30 FEEDRO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)Cc1ccc(F)cc1C#N ZINC000294243645 552890781 /nfs/dbraw/zinc/89/07/81/552890781.db2.gz PLRYHWPSJUYSFI-SJORKVTESA-N 1 0 351.447 2.086 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000294638526 552922785 /nfs/dbraw/zinc/92/27/85/552922785.db2.gz GRFCGYQFAMHYCU-UHFFFAOYSA-N 1 0 370.413 2.292 20 30 FEEDRO COc1cc(CC(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)ccc1O ZINC000294733047 552930183 /nfs/dbraw/zinc/93/01/83/552930183.db2.gz NOOKYLMHKBMZCV-UHFFFAOYSA-N 1 0 367.449 2.405 20 30 FEEDRO C[C@H](CCNS(=O)(=O)Cc1ccc(F)cc1C#N)[NH+]1CCCCC1 ZINC000295214718 552970420 /nfs/dbraw/zinc/97/04/20/552970420.db2.gz XBKIITAUBUSCBX-CQSZACIVSA-N 1 0 353.463 2.381 20 30 FEEDRO CN(CC[N@H+](C)CCCCC(C)(C)C#N)c1ccc(S(N)(=O)=O)cc1 ZINC000295220022 552970994 /nfs/dbraw/zinc/97/09/94/552970994.db2.gz NDKNOLLSRSXPIK-UHFFFAOYSA-N 1 0 366.531 2.422 20 30 FEEDRO N#C[C@@]1(C(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)CC12CCCC2 ZINC000295721246 553049853 /nfs/dbraw/zinc/04/98/53/553049853.db2.gz UHLPLUINPDKFHO-GHTZIAJQSA-N 1 0 353.466 2.343 20 30 FEEDRO CC(C)(C)c1cc(C#N)c(NC(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)s1 ZINC000296037254 553094043 /nfs/dbraw/zinc/09/40/43/553094043.db2.gz ORKZPFNGILDXKE-GFCCVEGCSA-N 1 0 374.510 2.456 20 30 FEEDRO CC[C@H](C)[NH+]1CCN(CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CC1 ZINC000296143193 553111443 /nfs/dbraw/zinc/11/14/43/553111443.db2.gz RYPFMAXNUJVJNU-INIZCTEOSA-N 1 0 366.469 2.099 20 30 FEEDRO C#CC[N@@H+](C)CCCNC(=O)N[C@@H](C)c1cccc(N2CCCC2=O)c1 ZINC000296420897 553156984 /nfs/dbraw/zinc/15/69/84/553156984.db2.gz RYOVKJKMCWYUME-INIZCTEOSA-N 1 0 356.470 2.129 20 30 FEEDRO N#Cc1ccc(OCC(=O)N2CC[C@@H](c3ccc(F)cc3)[C@@H]([NH3+])C2)cc1 ZINC000297277292 553272382 /nfs/dbraw/zinc/27/23/82/553272382.db2.gz SZFPYNCEWBBVIF-OALUTQOASA-N 1 0 353.397 2.420 20 30 FEEDRO C[C@H](C#N)CN(C)C(=O)C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000297635674 553318419 /nfs/dbraw/zinc/31/84/19/553318419.db2.gz IHKBMDKOXXELNY-ZIFCJYIRSA-N 1 0 370.497 2.116 20 30 FEEDRO N#Cc1c2c(sc1NC(=O)CC[NH2+]C1(C(N)=O)CCCCC1)CCC2 ZINC000298392249 553420058 /nfs/dbraw/zinc/42/00/58/553420058.db2.gz GYCZQONTUUJBPO-UHFFFAOYSA-N 1 0 360.483 2.215 20 30 FEEDRO C[NH+](C)CCOc1ccc(CNS(=O)(=O)Cc2ccc(C#N)cc2)cc1 ZINC000298838129 553479572 /nfs/dbraw/zinc/47/95/72/553479572.db2.gz FLZNJBBTGSGNFA-UHFFFAOYSA-N 1 0 373.478 2.118 20 30 FEEDRO C[NH+](C)C[C@@H](Cc1ccccc1)NS(=O)(=O)Cc1ccc(C#N)cc1 ZINC000298846526 553480496 /nfs/dbraw/zinc/48/04/96/553480496.db2.gz ALOYPKJSLFXGKJ-LJQANCHMSA-N 1 0 357.479 2.151 20 30 FEEDRO COc1ccc(NC(=O)CO[NH+]=C(N)c2ccc(N(C)C)cc2)cc1OC ZINC000298960197 553495532 /nfs/dbraw/zinc/49/55/32/553495532.db2.gz GQPQNRJTKCIUCQ-UHFFFAOYSA-N 1 0 372.425 2.045 20 30 FEEDRO C=CCCc1ccccc1NC(=O)C(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000504039400 561652248 /nfs/dbraw/zinc/65/22/48/561652248.db2.gz VRXVKZBLQXKFFG-UHFFFAOYSA-N 1 0 373.497 2.313 20 30 FEEDRO C#CCNC(=O)c1ccc(N[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)nc1 ZINC000301323918 553642411 /nfs/dbraw/zinc/64/24/11/553642411.db2.gz WXPGFHYXSGECKT-VQIMIIECSA-N 1 0 363.465 2.162 20 30 FEEDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNc2ccc(S(N)(=O)=O)cc2C#N)C1 ZINC000301362545 553645590 /nfs/dbraw/zinc/64/55/90/553645590.db2.gz MJPHYVPIBOHUHR-HUUCEWRRSA-N 1 0 364.515 2.376 20 30 FEEDRO N#Cc1ccc(OC[C@H](O)CN2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000302910832 553741465 /nfs/dbraw/zinc/74/14/65/553741465.db2.gz LWSUDGUNXSBYCU-OAQYLSRUSA-N 1 0 365.477 2.158 20 30 FEEDRO [NH2+]=C(NCCCS(=O)(=O)c1ccccc1)N[C@H]1CCOc2ccccc21 ZINC000304518871 553747674 /nfs/dbraw/zinc/74/76/74/553747674.db2.gz WSBJRPYZFAVTGL-KRWDZBQOSA-N 1 0 373.478 2.279 20 30 FEEDRO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N[C@@H]1CCN(C(=O)COc2ccccc2)C1 ZINC000328665200 553804907 /nfs/dbraw/zinc/80/49/07/553804907.db2.gz CELHGSNDLHTTEJ-IXDOHACOSA-N 1 0 359.470 2.496 20 30 FEEDRO O=C(Nc1nncs1)c1ccc(N2CC[C@@H](C[NH+]3CCCC3)C2)nc1 ZINC000328681469 553806195 /nfs/dbraw/zinc/80/61/95/553806195.db2.gz CNGPVAHSHKBVQZ-ZDUSSCGKSA-N 1 0 358.471 2.492 20 30 FEEDRO C[C@H](CNC(=O)NC[C@@H]1CCC2(CCOCC2)[C@H]1O)[N@@H+]1CCC[C@@H](C)C1 ZINC000328682416 553806636 /nfs/dbraw/zinc/80/66/36/553806636.db2.gz DAERPMVMWWUKTG-BDXSIMOUSA-N 1 0 367.534 2.178 20 30 FEEDRO Cn1ncc2c1C[C@H](C(=O)NC1CC[NH+]([C@@H]3CCCC[C@H]3O)CC1)CC2 ZINC000328687881 553807477 /nfs/dbraw/zinc/80/74/77/553807477.db2.gz ZKONVKCJTWYTMJ-LSBZLQRGSA-N 1 0 360.502 2.249 20 30 FEEDRO Cc1c(C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)nnn1CC1CCCC1 ZINC000328691132 553807898 /nfs/dbraw/zinc/80/78/98/553807898.db2.gz DSQRSQWOHKJIPG-UHFFFAOYSA-N 1 0 362.522 2.107 20 30 FEEDRO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)N1CCN(C2CC2)C(=O)C1 ZINC000328698250 553808811 /nfs/dbraw/zinc/80/88/11/553808811.db2.gz HMDOJTJXJUHPNG-SFHVURJKSA-N 1 0 356.470 2.044 20 30 FEEDRO O=C(Cn1nc2ccccn2c1=O)NCC[NH+]1CCC2(CCCCC2)CC1 ZINC000328703411 553809553 /nfs/dbraw/zinc/80/95/53/553809553.db2.gz KDKKUAJDNKBUKB-UHFFFAOYSA-N 1 0 371.485 2.499 20 30 FEEDRO C[C@@H](C(=O)NC(=O)Nc1ccc2c(c1)OCCO2)[N@@H+]1CCOC[C@H](C)C1 ZINC000328703028 553809795 /nfs/dbraw/zinc/80/97/95/553809795.db2.gz XPQQMXJBNCZPPW-OLZOCXBDSA-N 1 0 363.414 2.317 20 30 FEEDRO Cc1nc(CN2C[C@@H](F)C[C@H]2CNC(=O)C2CC[NH+](C3CC3)CC2)no1 ZINC000328739074 553815034 /nfs/dbraw/zinc/81/50/34/553815034.db2.gz HVCSSQVRHOVVIP-HOCLYGCPSA-N 1 0 365.453 2.121 20 30 FEEDRO O=C(NCC1([NH+]2CCSCC2)CCCC1)N[C@@H]1CCO[C@H]1C1CC1 ZINC000328810729 553825449 /nfs/dbraw/zinc/82/54/49/553825449.db2.gz DZBBTDBGGKXTSY-CVEARBPZSA-N 1 0 353.532 2.419 20 30 FEEDRO O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)N1CC[C@@H](C2CCOCC2)C1 ZINC000328818118 553827148 /nfs/dbraw/zinc/82/71/48/553827148.db2.gz HAIYKZKCQIAWMP-QRQLOZEOSA-N 1 0 365.518 2.027 20 30 FEEDRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)N[C@H]1CCCC12CCOCC2 ZINC000328823836 553828270 /nfs/dbraw/zinc/82/82/70/553828270.db2.gz RXDNXQYAQBQYEZ-IRXDYDNUSA-N 1 0 353.507 2.292 20 30 FEEDRO CCn1nncc1C(=O)N[C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000328867236 553835867 /nfs/dbraw/zinc/83/58/67/553835867.db2.gz ODLUVHVFTCXKSB-ZDUSSCGKSA-N 1 0 360.437 2.255 20 30 FEEDRO O=C(Cn1nc(-c2ccccc2)ccc1=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000328920309 553844885 /nfs/dbraw/zinc/84/48/85/553844885.db2.gz LSPCJLWDKLYJDD-MSOLQXFVSA-N 1 0 352.438 2.494 20 30 FEEDRO NC(=O)N[C@H]1CCN(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)C1 ZINC000328934938 553848509 /nfs/dbraw/zinc/84/85/09/553848509.db2.gz QFLJHVDVRLZHQE-HNNXBMFYSA-N 1 0 351.495 2.246 20 30 FEEDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N2CCC[C@@H]2[C@@H]2COCC[C@]2(C)O)C1 ZINC000328972912 553856263 /nfs/dbraw/zinc/85/62/63/553856263.db2.gz BYBZHYAWWAFPMK-KMOPNRPKSA-N 1 0 353.507 2.025 20 30 FEEDRO C[C@@H]1CN(CC(=O)NCc2ccccc2CN2CCCC2=O)[C@@H](C)C[N@@H+]1C ZINC000329002990 553862476 /nfs/dbraw/zinc/86/24/76/553862476.db2.gz LSLQUJGHXZDCMY-SJORKVTESA-N 1 0 372.513 2.290 20 30 FEEDRO CO[C@@H]1CCC[C@@H]1[C@@H]1COCCN1C(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000329096807 553879540 /nfs/dbraw/zinc/87/95/40/553879540.db2.gz YGMFFELFNSQLAM-XGAARHLOSA-N 1 0 351.491 2.042 20 30 FEEDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2CCOC[C@@H]2[C@@H]2CCC[C@H]2O)C1 ZINC000329094987 553879695 /nfs/dbraw/zinc/87/96/95/553879695.db2.gz XSQIHNAQZDWIEE-FCGDIQPGSA-N 1 0 367.534 2.130 20 30 FEEDRO Cc1sc(=O)n(CC(=O)NCC2([NH+]3CCCC3)CCOCC2)c1C ZINC000329101235 553880529 /nfs/dbraw/zinc/88/05/29/553880529.db2.gz MXGWRCRMCGISTC-UHFFFAOYSA-N 1 0 353.488 2.128 20 30 FEEDRO C[C@@H]1C[C@H](NC(=O)N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)CCO1 ZINC000329105570 553881721 /nfs/dbraw/zinc/88/17/21/553881721.db2.gz ONABRUAHILTYDD-XLMAVXFVSA-N 1 0 353.507 2.289 20 30 FEEDRO C[C@H](NS(=O)(=O)c1cccs1)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000329139270 553887478 /nfs/dbraw/zinc/88/74/78/553887478.db2.gz FFISCIJTRQLVOH-STQMWFEESA-N 1 0 371.528 2.388 20 30 FEEDRO C[C@H](C(=O)NC1CC[NH+]([C@H]2CCN(C)C2=O)CC1)n1cnc2ccccc21 ZINC000329162098 553892892 /nfs/dbraw/zinc/89/28/92/553892892.db2.gz FXAINDRHZLFOQV-KDOFPFPSSA-N 1 0 369.469 2.249 20 30 FEEDRO Cc1cccc(C)c1OCC(=O)NC1CC[NH+]([C@H]2CCN(C)C2=O)CC1 ZINC000329163392 553893070 /nfs/dbraw/zinc/89/30/70/553893070.db2.gz GLFYFTHKPBWXJE-KRWDZBQOSA-N 1 0 359.470 2.334 20 30 FEEDRO CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)N[C@H]2CC(C)(C)OC2(C)C)C1 ZINC000329182013 553897342 /nfs/dbraw/zinc/89/73/42/553897342.db2.gz NRAFZGDDOZHXLP-JYJNAYRXSA-N 1 0 353.507 2.432 20 30 FEEDRO C[NH+](C)Cc1ccc(CNC(=O)N2CCC[C@@H]2[C@@H]2COCC[C@H]2O)cc1 ZINC000329198658 553900660 /nfs/dbraw/zinc/90/06/60/553900660.db2.gz APFGKFJLQOEPSW-IPMKNSEASA-N 1 0 361.486 2.024 20 30 FEEDRO CCCc1nc(C)c(C(=O)NC2CC[NH+]([C@H]3CCN(C)C3=O)CC2)s1 ZINC000329208475 553902500 /nfs/dbraw/zinc/90/25/00/553902500.db2.gz YQTVFYHZRSDOJQ-AWEZNQCLSA-N 1 0 364.515 2.404 20 30 FEEDRO CO[C@@H]1[C@H](C)[C@H](NC(=O)NCC2([NH+]3CCCC3)CCOCC2)C1(C)C ZINC000329218079 553904755 /nfs/dbraw/zinc/90/47/55/553904755.db2.gz RHGDNTBJSJIQKN-OWCLPIDISA-N 1 0 353.507 2.195 20 30 FEEDRO C[C@@H]1c2nnc(C3CCCC3)n2CCN1C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000329246923 553910070 /nfs/dbraw/zinc/91/00/70/553910070.db2.gz AXIPEWCOVKQQCX-HIFRSBDPSA-N 1 0 358.490 2.463 20 30 FEEDRO C[C@@H](NC(=O)c1cccc(S(=O)(=O)NC2CC2)c1)C1=CC[N@H+](C)CC1 ZINC000329258804 553913060 /nfs/dbraw/zinc/91/30/60/553913060.db2.gz AAGOBBMMHMNLFQ-CYBMUJFWSA-N 1 0 363.483 2.082 20 30 FEEDRO Cc1nnc2n1C[C@H](CNC([O-])=[NH+][C@H](C)[C@@H]1CCC[N@@H+](C3CCC3)C1)CC2 ZINC000329299800 553920181 /nfs/dbraw/zinc/92/01/81/553920181.db2.gz MDBHZADOLNOCMG-HYVNUMGLSA-N 1 0 374.533 2.306 20 30 FEEDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1cccc(C(=O)N2CCOCC2)c1 ZINC000329300514 553920427 /nfs/dbraw/zinc/92/04/27/553920427.db2.gz MNFAIGLCCCCWBA-SFHVURJKSA-N 1 0 374.485 2.359 20 30 FEEDRO Cn1nccc1[C@@H]1CCCCN1C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000329332781 553927172 /nfs/dbraw/zinc/92/71/72/553927172.db2.gz NBBOKKREDDICOG-RDJZCZTQSA-N 1 0 351.520 2.298 20 30 FEEDRO CC(C)c1nc([C@H]2COCCN2C(=O)NC2CC[NH+](C(C)C)CC2)no1 ZINC000329350958 553930119 /nfs/dbraw/zinc/93/01/19/553930119.db2.gz TYWUSXQBAGHSMY-OAHLLOKOSA-N 1 0 365.478 2.353 20 30 FEEDRO CC[C@@H]1CO[C@@H](C)CN1C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C ZINC000329356645 553931696 /nfs/dbraw/zinc/93/16/96/553931696.db2.gz WHTOIDDKJQLSLT-LISAXSMJSA-N 1 0 363.506 2.216 20 30 FEEDRO Cc1noc([C@H](NC(=O)N2CC[N@@H+](C)C[C@H]2C(C)C)C2CCOCC2)n1 ZINC000329364553 553933173 /nfs/dbraw/zinc/93/31/73/553933173.db2.gz GAUZRYYBCCTVMQ-JKSUJKDBSA-N 1 0 365.478 2.032 20 30 FEEDRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)Cn1c2ccccc2nc1C(F)(F)F ZINC000329380102 553934768 /nfs/dbraw/zinc/93/47/68/553934768.db2.gz PRUFJYWHGXAUEH-LBPRGKRZSA-N 1 0 369.391 2.257 20 30 FEEDRO COc1ccc(NC(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc1N1CCCC1=O ZINC000329489573 553956606 /nfs/dbraw/zinc/95/66/06/553956606.db2.gz UVXXHQMRHITWRH-HNNXBMFYSA-N 1 0 358.442 2.148 20 30 FEEDRO Cc1cc(N2CCC(NC(=O)N3CC[C@H]([NH+]4CCCC4)[C@@H]3C)CC2)n[nH]1 ZINC000329509756 553959312 /nfs/dbraw/zinc/95/93/12/553959312.db2.gz BPDMQABXSQGGSN-RDJZCZTQSA-N 1 0 360.506 2.160 20 30 FEEDRO O=C(NC[C@@H]1CCCn2ccnc21)N1CCC[C@](O)(C(F)(F)F)CC1 ZINC000329518698 553961055 /nfs/dbraw/zinc/96/10/55/553961055.db2.gz FBJWUAOHLRATKO-SWLSCSKDSA-N 1 0 360.380 2.454 20 30 FEEDRO CC(C)[C@H](NC(=O)NCc1ccccc1)C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000329531067 553962709 /nfs/dbraw/zinc/96/27/09/553962709.db2.gz JDGABOIYMBKQNC-WDSOQIARSA-N 1 0 372.513 2.410 20 30 FEEDRO N#Cc1ccc(N2CCC(C(=O)N[C@@H]3CC[N@@H+](C4CC4)C3)CC2)c(F)c1 ZINC000506850725 561709981 /nfs/dbraw/zinc/70/99/81/561709981.db2.gz IGXPZKSPTSAECA-MRXNPFEDSA-N 1 0 356.445 2.267 20 30 FEEDRO C[C@@H]1CN(C[C@H]2CCCN2C(=O)Cc2c(F)cccc2C#N)C[C@H](C)O1 ZINC000506858378 561710341 /nfs/dbraw/zinc/71/03/41/561710341.db2.gz BNEITKDCLDKQIE-HLLBOEOZSA-N 1 0 359.445 2.340 20 30 FEEDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCO[C@@H](C2CCCCC2)C1 ZINC000329614568 553977281 /nfs/dbraw/zinc/97/72/81/553977281.db2.gz SBNKURQCUZIRGC-QZTJIDSGSA-N 1 0 353.507 2.292 20 30 FEEDRO O=C(CN1CC[N@@H+]2CCCC[C@H]2C1)NC(=O)Nc1ccc2c(c1)OCO2 ZINC000329637505 553980839 /nfs/dbraw/zinc/98/08/39/553980839.db2.gz AIAWQQZVTMRAIX-AWEZNQCLSA-N 1 0 360.414 2.087 20 30 FEEDRO CC[C@H](C)[NH2+][C@@H](CNC(=O)C(=O)Nc1ccc(C#N)cc1F)c1ccco1 ZINC000506953242 561712546 /nfs/dbraw/zinc/71/25/46/561712546.db2.gz JDFJIOWNJQKFJA-LRDDRELGSA-N 1 0 372.400 2.474 20 30 FEEDRO CC[NH+]1CCN(c2ccccc2NC(=O)N2C[C@@H]3CC[C@H](O)[C@H]3C2)CC1 ZINC000329669714 553985984 /nfs/dbraw/zinc/98/59/84/553985984.db2.gz SOPBAJPZXGVUKB-BXWFABGCSA-N 1 0 358.486 2.077 20 30 FEEDRO CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3CC(=O)N[C@H](C)C3)cn2)CC1 ZINC000329674756 553986820 /nfs/dbraw/zinc/98/68/20/553986820.db2.gz ORNKMNGNXZLUAE-ZBFHGGJFSA-N 1 0 359.474 2.435 20 30 FEEDRO C[C@@H]1C[C@@H](NC(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC[N@@H+]1C ZINC000329791929 554006783 /nfs/dbraw/zinc/00/67/83/554006783.db2.gz FCISGIPURAYZRA-SJORKVTESA-N 1 0 352.523 2.008 20 30 FEEDRO CC(C)O[C@@H]1C[C@H](NC(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)C1(C)C ZINC000329790566 554006798 /nfs/dbraw/zinc/00/67/98/554006798.db2.gz CVCIBKJDIHUCGL-ZJPYXAASSA-N 1 0 367.534 2.460 20 30 FEEDRO C[C@@H]1C[C@H](NC(=O)N2CCCN(C(=O)c3ccsc3)CC2)CC[N@@H+]1C ZINC000329792968 554007066 /nfs/dbraw/zinc/00/70/66/554007066.db2.gz APOZJTQFRFJGIA-GDBMZVCRSA-N 1 0 364.515 2.293 20 30 FEEDRO CS(=O)(=O)c1ccc(CNC(=O)N2CCC[C@H]2C[NH+]2CCCC2)s1 ZINC000329812730 554010299 /nfs/dbraw/zinc/01/02/99/554010299.db2.gz CMIZGGRSBVXZLD-ZDUSSCGKSA-N 1 0 371.528 2.126 20 30 FEEDRO COCC[C@@H]1CCCCN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)C1 ZINC000329827547 554013426 /nfs/dbraw/zinc/01/34/26/554013426.db2.gz CUHLCPMRCRJBHT-QXAKKESOSA-N 1 0 367.534 2.417 20 30 FEEDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000329941530 554036286 /nfs/dbraw/zinc/03/62/86/554036286.db2.gz CFFHCWILWDQMAC-GJYPPUQNSA-N 1 0 353.507 2.291 20 30 FEEDRO CCN1CCN(C(=O)NCC(C)(C)[NH+]2CCCCC2)C[C@@H]1c1ncc[nH]1 ZINC000329948299 554037379 /nfs/dbraw/zinc/03/73/79/554037379.db2.gz YWWAQRVCAPKCHT-MRXNPFEDSA-N 1 0 362.522 2.267 20 30 FEEDRO CC(C)c1nnc([C@@H]2CN(C(=O)NC[C@@H](C)C[NH+]3CCCC3)CCO2)o1 ZINC000329952933 554037957 /nfs/dbraw/zinc/03/79/57/554037957.db2.gz NMDQLSQFHLNOMC-CABCVRRESA-N 1 0 365.478 2.212 20 30 FEEDRO O=C(Cn1cc(NC(=O)N2CC[NH+](CC3CC3)CC2)cn1)NC1CCCC1 ZINC000330004354 554048143 /nfs/dbraw/zinc/04/81/43/554048143.db2.gz AZLKSSRTYYOZSG-UHFFFAOYSA-N 1 0 374.489 2.355 20 30 FEEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)C2CCN(c3oc(C)nc3C#N)CC2)C[C@H]1C ZINC000330008909 554048384 /nfs/dbraw/zinc/04/83/84/554048384.db2.gz GZCWHMNGDWGNAC-PBHICJAKSA-N 1 0 373.501 2.402 20 30 FEEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)C2CCN(c3oc(C)nc3C#N)CC2)C[C@@H]1C ZINC000330008912 554048528 /nfs/dbraw/zinc/04/85/28/554048528.db2.gz GZCWHMNGDWGNAC-YOEHRIQHSA-N 1 0 373.501 2.402 20 30 FEEDRO C[NH+](C)[C@]1(CNC(=O)[C@@H]2CCCN(C(=O)N3CCCC3)C2)CCSC1 ZINC000330042388 554053405 /nfs/dbraw/zinc/05/34/05/554053405.db2.gz GROYKPYQEJYZPM-QAPCUYQASA-N 1 0 368.547 2.308 20 30 FEEDRO C[NH+]1CCC(Nc2ccccc2NC(=O)c2cn([C@H]3CCOC3)nn2)CC1 ZINC000330051326 554055590 /nfs/dbraw/zinc/05/55/90/554055590.db2.gz NHERYQHCIFRLQA-HNNXBMFYSA-N 1 0 370.457 2.382 20 30 FEEDRO C[C@@H]1CCC[C@](CNC(=O)N2CC[C@H](N3CCCC3=O)C2)([NH+](C)C)C1 ZINC000330070958 554059087 /nfs/dbraw/zinc/05/90/87/554059087.db2.gz XORYSHXUMMMFBC-GJYPPUQNSA-N 1 0 350.507 2.108 20 30 FEEDRO Cn1cc(C(=O)NC[C@@H]2C[N@H+](C)CCN2C)c(-c2ccc(Cl)s2)n1 ZINC000330074444 554060358 /nfs/dbraw/zinc/06/03/58/554060358.db2.gz FPZRPAQQWDCDFY-LLVKDONJSA-N 1 0 367.906 2.352 20 30 FEEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cn2c(n1)CCCC2 ZINC000507542643 561732474 /nfs/dbraw/zinc/73/24/74/561732474.db2.gz DMAVLIJNFZEPGO-UHFFFAOYSA-N 1 0 351.454 2.295 20 30 FEEDRO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)N2CCC(c3nnc4n3CCCC4)CC2)C1 ZINC000330088038 554062169 /nfs/dbraw/zinc/06/21/69/554062169.db2.gz NSGLIBSBHLTFBK-NVXWUHKLSA-N 1 0 374.533 2.437 20 30 FEEDRO CCO[C@@H]1C[C@H](O)C12CCN(C(=O)NCC1([NH+](C)C)CCCCC1)CC2 ZINC000330091750 554062932 /nfs/dbraw/zinc/06/29/32/554062932.db2.gz YBQQTTDUHUKDSX-DLBZAZTESA-N 1 0 367.534 2.417 20 30 FEEDRO Cn1cc([C@@H]2[C@H](C(=O)N[C@H]3CC[N@@H+](C4CC4)C3)CC(=O)N2C(C)(C)C)cn1 ZINC000330105513 554064942 /nfs/dbraw/zinc/06/49/42/554064942.db2.gz JNULCPRMWRRMMV-YXJHDRRASA-N 1 0 373.501 2.301 20 30 FEEDRO O=C(N[C@H]1CCCc2c[nH]nc21)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000330111894 554066921 /nfs/dbraw/zinc/06/69/21/554066921.db2.gz BKSGXSAORQTPOR-KRWDZBQOSA-N 1 0 361.490 2.135 20 30 FEEDRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)CC1 ZINC000330115440 554067140 /nfs/dbraw/zinc/06/71/40/554067140.db2.gz FPRRQKQWTULEGR-BSDSXHPESA-N 1 0 362.518 2.108 20 30 FEEDRO CC(C)c1nc2c(n1C)CCN(C(=O)NC[C@]1([NH+](C)C)CCSC1)C2 ZINC000330122488 554068381 /nfs/dbraw/zinc/06/83/81/554068381.db2.gz BWHZNMVGLYBFJR-GOSISDBHSA-N 1 0 365.547 2.253 20 30 FEEDRO CO[C@@H]1CN(CC(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)C[C@@H]1OC ZINC000330125823 554068799 /nfs/dbraw/zinc/06/87/99/554068799.db2.gz BTBOWGWEELXXEO-ZDBSZRPRSA-N 1 0 365.474 2.171 20 30 FEEDRO CO[C@]1(C)C[C@H](NC(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C1(C)C ZINC000330127351 554069511 /nfs/dbraw/zinc/06/95/11/554069511.db2.gz CMGTYSXPVOQKJN-PASDCYSWSA-N 1 0 353.507 2.071 20 30 FEEDRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)N[C@H]2CCCc3c[nH]nc32)CC1 ZINC000330156918 554075605 /nfs/dbraw/zinc/07/56/05/554075605.db2.gz YYUCHGLLKCWLLO-JZXOWHBKSA-N 1 0 374.533 2.192 20 30 FEEDRO CC(=O)NC[C@@H]1CCn2ncc(C(=O)N3CC[C@H]([NH+]4CCCCC4)C3)c2C1 ZINC000330177985 554078947 /nfs/dbraw/zinc/07/89/47/554078947.db2.gz LFXBVYCIDIPCFC-SJORKVTESA-N 1 0 373.501 2.122 20 30 FEEDRO CCn1cc([C@@H]2NC(=O)CC[C@H]2NC(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)cn1 ZINC000330188297 554081161 /nfs/dbraw/zinc/08/11/61/554081161.db2.gz UKTAALNGVUYDCY-ZDRJDWQYSA-N 1 0 374.489 2.003 20 30 FEEDRO Cc1ccc(NC(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)cc1N1CCNC1=O ZINC000330223064 554088017 /nfs/dbraw/zinc/08/80/17/554088017.db2.gz SDQQKHOPEFKYPU-MRXNPFEDSA-N 1 0 355.442 2.221 20 30 FEEDRO CC(C)[C@@H]1C[C@H](NC(=O)N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)CCO1 ZINC000330228384 554089141 /nfs/dbraw/zinc/08/91/41/554089141.db2.gz PQBAPOUSGJWXQS-JZXOWHBKSA-N 1 0 353.507 2.289 20 30 FEEDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)N[C@H]1CCOC2(CCC2)C1 ZINC000330268706 554096455 /nfs/dbraw/zinc/09/64/55/554096455.db2.gz RIGFQBSONVZAAD-CVEARBPZSA-N 1 0 351.491 2.187 20 30 FEEDRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@H]1CCOC2(CCOCC2)C1 ZINC000330272320 554097233 /nfs/dbraw/zinc/09/72/33/554097233.db2.gz XLLWHIFZYMMYMC-GVDBMIGSSA-N 1 0 351.491 2.187 20 30 FEEDRO C[C@H](NC(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C)c1cncc(F)c1 ZINC000330319325 554104639 /nfs/dbraw/zinc/10/46/39/554104639.db2.gz RGCNGEKFMXYRQQ-KBPBESRZSA-N 1 0 350.438 2.381 20 30 FEEDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)N1CCc2c(nnn2-c2ccccc2)C1 ZINC000330345115 554108930 /nfs/dbraw/zinc/10/89/30/554108930.db2.gz DTDVUHCFLSUOIN-AEFFLSMTSA-N 1 0 366.469 2.166 20 30 FEEDRO C[C@@H](CC#N)N(C)S(=O)(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000330413769 554118339 /nfs/dbraw/zinc/11/83/39/554118339.db2.gz MPAHSQMBIIWDKO-IRXDYDNUSA-N 1 0 370.563 2.442 20 30 FEEDRO CC[N@@H+]1CCC[C@H](NC(=O)c2cc(C)c(C)c(S(=O)(=O)N(C)C)c2)C1 ZINC000330504596 554130538 /nfs/dbraw/zinc/13/05/38/554130538.db2.gz IABGWGHATKNTAN-INIZCTEOSA-N 1 0 367.515 2.343 20 30 FEEDRO CC[NH+](CC)C[C@H](C)NC(=O)c1ccc2c(c1)C[C@@H](C)N2S(C)(=O)=O ZINC000330584485 554141566 /nfs/dbraw/zinc/14/15/66/554141566.db2.gz WDTUMFMISGHACL-UONOGXRCSA-N 1 0 367.515 2.432 20 30 FEEDRO CC(C)Cn1ncc(NC(=O)N2CCO[C@H](C[NH+](C)C)C2)c1C(F)F ZINC000330644201 554150253 /nfs/dbraw/zinc/15/02/53/554150253.db2.gz HJOCCAAORYKGGV-GFCCVEGCSA-N 1 0 359.421 2.285 20 30 FEEDRO COC(=O)c1cc(NC(=O)N2CC[N@H+](C[C@H](C)O)[C@H](C)C2)cc(C)c1C ZINC000330714421 554162164 /nfs/dbraw/zinc/16/21/64/554162164.db2.gz XJRFMFSVDPDRFO-KGLIPLIRSA-N 1 0 363.458 2.022 20 30 FEEDRO CC(C)(O)C[NH+]1CCN(C(=O)NCCc2ccc(F)cc2Cl)CC1 ZINC000330992055 554198327 /nfs/dbraw/zinc/19/83/27/554198327.db2.gz SCEWQMGTEQLHJK-UHFFFAOYSA-N 1 0 357.857 2.324 20 30 FEEDRO CCC(=O)Nc1ccc(C)c(NC(=O)N2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)c1 ZINC000331017491 554201209 /nfs/dbraw/zinc/20/12/09/554201209.db2.gz HSZURUBSPBSZMU-LSDHHAIUSA-N 1 0 362.474 2.276 20 30 FEEDRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NCCCc1ccccc1F ZINC000331039292 554205031 /nfs/dbraw/zinc/20/50/31/554205031.db2.gz BMULHYBNVPPLDG-HNNXBMFYSA-N 1 0 351.466 2.449 20 30 FEEDRO CC1CC[NH+](C[C@@H](O)CNC(=O)c2ncccc2Br)CC1 ZINC000331063727 554208281 /nfs/dbraw/zinc/20/82/81/554208281.db2.gz OZKQBTOGZZOKPQ-LBPRGKRZSA-N 1 0 356.264 2.242 20 30 FEEDRO CC(C)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C)CC[N@@H+]1C ZINC000508577606 561766623 /nfs/dbraw/zinc/76/66/23/561766623.db2.gz PVHBZWHRNZXDMV-QGZVFWFLSA-N 1 0 354.458 2.042 20 30 FEEDRO CC[C@@H]1CN(C(=O)Nc2ccc(C(N)=O)cc2F)CC[N@@H+]1C[C@H](C)O ZINC000331192743 554228953 /nfs/dbraw/zinc/22/89/53/554228953.db2.gz MCBDFSFXBCFDEN-WCQYABFASA-N 1 0 352.410 2.032 20 30 FEEDRO COC[C@H](NC(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1)c1ccc(F)cc1 ZINC000331238482 554234769 /nfs/dbraw/zinc/23/47/69/554234769.db2.gz VQISBOOKQUPXJH-YOEHRIQHSA-N 1 0 367.465 2.204 20 30 FEEDRO C=CCn1c([C@H](C)OCCOC)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000508810968 561773577 /nfs/dbraw/zinc/77/35/77/561773577.db2.gz FXQQOKADNWCBDH-DLBZAZTESA-N 1 0 363.506 2.253 20 30 FEEDRO C=CCn1c([C@@H]2COCCO2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC000508864749 561775673 /nfs/dbraw/zinc/77/56/73/561775673.db2.gz QIBDVWBYUPYPIG-INIZCTEOSA-N 1 0 363.506 2.110 20 30 FEEDRO C=CCn1c([C@H](C)OCCOC)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC000508862673 561775704 /nfs/dbraw/zinc/77/57/04/561775704.db2.gz FSKICDFZUPRPRG-INIZCTEOSA-N 1 0 363.506 2.253 20 30 FEEDRO C=CCn1c(Cc2ccsc2)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000508888741 561776898 /nfs/dbraw/zinc/77/68/98/561776898.db2.gz PGVHLKJCFHXROA-KRWDZBQOSA-N 1 0 373.526 2.275 20 30 FEEDRO C=CCn1c(-c2cccc(C)n2)nnc1N(C)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC000508918449 561778287 /nfs/dbraw/zinc/77/82/87/561778287.db2.gz NBWNDSXBVHIZTL-CALCHBBNSA-N 1 0 370.501 2.380 20 30 FEEDRO C=CCSCCNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000509187363 561788898 /nfs/dbraw/zinc/78/88/98/561788898.db2.gz UUBRRLDMLCXODY-MSOLQXFVSA-N 1 0 363.527 2.088 20 30 FEEDRO C[C@H](C(=O)Nc1ccccc1C#N)N1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000332029128 554366897 /nfs/dbraw/zinc/36/68/97/554366897.db2.gz HITSRBXPCUKXSN-JKSUJKDBSA-N 1 0 356.470 2.070 20 30 FEEDRO Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N3C[C@H](C)[N@@H+](C)C[C@H]3C)C2)n1 ZINC000509673216 561810053 /nfs/dbraw/zinc/81/00/53/561810053.db2.gz YJPSJPKOSZPUIK-JZXOWHBKSA-N 1 0 355.486 2.029 20 30 FEEDRO Cc1c(C#N)cccc1NC(=O)C(=O)N[C@@H](C[NH+](C)C)c1ccc(F)cc1 ZINC000510019990 561822198 /nfs/dbraw/zinc/82/21/98/561822198.db2.gz ZXNVLJYNGPJWEZ-SFHVURJKSA-N 1 0 368.412 2.363 20 30 FEEDRO C[NH+](C)C1CCC(NC(=O)N2CCN(c3ccccc3C#N)CC2)CC1 ZINC000332492622 554455755 /nfs/dbraw/zinc/45/57/55/554455755.db2.gz CSBCNASSRWRDLB-UHFFFAOYSA-N 1 0 355.486 2.263 20 30 FEEDRO COCCN1C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3C(C)(C)C#N)CC[C@@H]21 ZINC000332582315 554476611 /nfs/dbraw/zinc/47/66/11/554476611.db2.gz JLYCOIHRRGIRCT-MSOLQXFVSA-N 1 0 356.470 2.102 20 30 FEEDRO Cn1ccnc1[C@@H](NS(=O)(=O)c1cccc(Cl)c1C#N)C1CC1 ZINC000510461046 561835287 /nfs/dbraw/zinc/83/52/87/561835287.db2.gz OJXCIWSIEFAGTI-AWEZNQCLSA-N 1 0 350.831 2.375 20 30 FEEDRO CC(C)[NH+]1CCN(C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)CC1 ZINC000332701418 554499266 /nfs/dbraw/zinc/49/92/66/554499266.db2.gz XCXDGZLNGGTBFG-UHFFFAOYSA-N 1 0 372.860 2.955 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c(Cl)c1 ZINC000333855420 554649694 /nfs/dbraw/zinc/64/96/94/554649694.db2.gz OMEJGDUUWQWQMQ-UKRRQHHQSA-N 1 0 353.875 2.364 20 30 FEEDRO CCOC(=O)C(C)(C)C1CC[NH+](CC(=O)N[C@@](C)(C#N)C(C)C)CC1 ZINC000510949303 561851800 /nfs/dbraw/zinc/85/18/00/561851800.db2.gz INDPXOCILZFFFO-IBGZPJMESA-N 1 0 351.491 2.342 20 30 FEEDRO C=CCOC[C@H]1NC(=O)N(CC2CC[NH+](Cc3cccs3)CC2)C1=O ZINC000348505876 554687493 /nfs/dbraw/zinc/68/74/93/554687493.db2.gz JFHHHEBPDOOCRI-MRXNPFEDSA-N 1 0 363.483 2.083 20 30 FEEDRO C=CCOC[C@@H]1NC(=O)N([C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)C1=O ZINC000348626839 554692478 /nfs/dbraw/zinc/69/24/78/554692478.db2.gz SWPDYTYHOFOLFE-SZMVWBNQSA-N 1 0 357.454 2.020 20 30 FEEDRO C=CCOc1ccc(-c2nc(CC(=O)N3CCC([NH+](C)C)CC3)no2)cc1 ZINC000350926248 554822940 /nfs/dbraw/zinc/82/29/40/554822940.db2.gz OPYWWGUFKXAMAE-UHFFFAOYSA-N 1 0 370.453 2.397 20 30 FEEDRO CN1CC[NH+](CC2(C)CCN(C(=O)NCc3ccc(C#N)cc3)CC2)CC1 ZINC000360356949 554872154 /nfs/dbraw/zinc/87/21/54/554872154.db2.gz ZDCLBDDBTYJGRK-UHFFFAOYSA-N 1 0 369.513 2.117 20 30 FEEDRO C[C@H]([NH2+]Cc1cc(=O)n(C)c(=O)n1C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000360682354 554885327 /nfs/dbraw/zinc/88/53/27/554885327.db2.gz UJCAVFAWQSPMMD-HNNXBMFYSA-N 1 0 374.444 2.473 20 30 FEEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1CCCc2cn[nH]c21 ZINC000362407490 554970437 /nfs/dbraw/zinc/97/04/37/554970437.db2.gz JIJDSYZUAYHMNJ-SFHVURJKSA-N 1 0 351.454 2.292 20 30 FEEDRO C[C@H](CNC(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1)C[NH+]1CCCC1 ZINC000363149850 555040994 /nfs/dbraw/zinc/04/09/94/555040994.db2.gz GWXVOGYZJRJUHJ-VQIMIIECSA-N 1 0 356.470 2.373 20 30 FEEDRO N#Cc1ccccc1N1CCC[C@H](NC(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000363187259 555048749 /nfs/dbraw/zinc/04/87/49/555048749.db2.gz JKYRNLGCDCGTKM-QYZOEREBSA-N 1 0 367.497 2.453 20 30 FEEDRO C=C(C)CN(CC)C(=O)C[N@@H+]1CCC[C@H](C(=O)Nc2ncccc2C)C1 ZINC000363298086 555073213 /nfs/dbraw/zinc/07/32/13/555073213.db2.gz ANPLQXFRAPDRFZ-KRWDZBQOSA-N 1 0 358.486 2.465 20 30 FEEDRO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCC(NC(=O)c2cccn2C)CC1 ZINC000363378595 555089868 /nfs/dbraw/zinc/08/98/68/555089868.db2.gz ARNNEYQDKAGBRY-MRXNPFEDSA-N 1 0 360.502 2.032 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N[C@H](c2nnc(C)n2C)c2ccccc2)CC1 ZINC000363496324 555120672 /nfs/dbraw/zinc/12/06/72/555120672.db2.gz OMHBWMNVOBECBK-SFHVURJKSA-N 1 0 368.485 2.163 20 30 FEEDRO CN1CC[NH+](C[C@H]2CCCN(C(=O)C3(c4ccc(C#N)cc4)CC3)C2)CC1 ZINC000363741121 555176502 /nfs/dbraw/zinc/17/65/02/555176502.db2.gz UEIVHCCELPCOFK-LJQANCHMSA-N 1 0 366.509 2.076 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000364230833 555275023 /nfs/dbraw/zinc/27/50/23/555275023.db2.gz LVZHWDDBFRHDKZ-FQEVSTJZSA-N 1 0 363.502 2.237 20 30 FEEDRO N#CCCCOc1cccc(CN2CCC[C@H]2c2nc(C(N)=O)no2)c1 ZINC000364232751 555275196 /nfs/dbraw/zinc/27/51/96/555275196.db2.gz AARXUAKIONBUII-HNNXBMFYSA-N 1 0 355.398 2.188 20 30 FEEDRO C=CCN(C(=O)N[C@H](C)C[S@@](C)=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000364277634 555283097 /nfs/dbraw/zinc/28/30/97/555283097.db2.gz CZKCPUWLPNIJAC-BXZDMCNWSA-N 1 0 363.527 2.226 20 30 FEEDRO CC[C@](C)(C#N)C(=O)N1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000512311150 561899738 /nfs/dbraw/zinc/89/97/38/561899738.db2.gz WLLGPQUFQAQEFY-HXUWFJFHSA-N 1 0 362.518 2.157 20 30 FEEDRO C=CCn1c(C)cc(C(=O)CN2CCC(N3C(=O)CCCC3=O)CC2)c1C ZINC000364399315 555306458 /nfs/dbraw/zinc/30/64/58/555306458.db2.gz INXMCPIVBDJUJK-UHFFFAOYSA-N 1 0 371.481 2.477 20 30 FEEDRO C=C[C@@](C)(CCOC)C(=O)N1CCC(N2CC[NH+](CCC)CC2)CC1 ZINC000364452366 555316749 /nfs/dbraw/zinc/31/67/49/555316749.db2.gz DIPHVYPYHJDTLD-FQEVSTJZSA-N 1 0 351.535 2.234 20 30 FEEDRO N#CCCN(CCC#N)C(=O)C[N@@H+]1CCC[C@H](n2cnc3ccccc32)C1 ZINC000364516170 555327830 /nfs/dbraw/zinc/32/78/30/555327830.db2.gz ACVVTDDCOMSQBO-KRWDZBQOSA-N 1 0 364.453 2.329 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N2CCC(O)(Cc3ccc(C)cc3)CC2)CC1 ZINC000364787349 555402440 /nfs/dbraw/zinc/40/24/40/555402440.db2.gz BQOVXADLBPZZLC-UHFFFAOYSA-N 1 0 354.494 2.236 20 30 FEEDRO CN(C(=O)C[N@H+](C)C1CCN(c2cnccn2)CC1)C1(C#N)CCCCC1 ZINC000364824680 555408494 /nfs/dbraw/zinc/40/84/94/555408494.db2.gz UPPLHVOJYKKXOC-UHFFFAOYSA-N 1 0 370.501 2.062 20 30 FEEDRO N#Cc1cccc(CNC(=O)C[N@H+]2CCC[C@]2(CO)Cc2ccccc2)c1 ZINC000364863604 555418351 /nfs/dbraw/zinc/41/83/51/555418351.db2.gz SWGIANPQNPLPGD-JOCHJYFZSA-N 1 0 363.461 2.244 20 30 FEEDRO C=CCN(C(=O)NOC[C@@H]1CCOC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000364959635 555450828 /nfs/dbraw/zinc/45/08/28/555450828.db2.gz XREUEVCQEGQKBZ-MOPGFXCFSA-N 1 0 359.470 2.427 20 30 FEEDRO COCC[NH+](CCOC)C1CCN(Cc2cc(C#N)ccc2OC)CC1 ZINC000512828438 561916940 /nfs/dbraw/zinc/91/69/40/561916940.db2.gz PDRNGEFPBXBORL-UHFFFAOYSA-N 1 0 361.486 2.126 20 30 FEEDRO CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@H]1CCC(=O)N1Cc1cccc(C#N)c1 ZINC000365147492 555495519 /nfs/dbraw/zinc/49/55/19/555495519.db2.gz BZDQLUOTVJBANW-RBUKOAKNSA-N 1 0 370.497 2.142 20 30 FEEDRO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3ccccc3)no2)C1 ZINC000365180741 555503393 /nfs/dbraw/zinc/50/33/93/555503393.db2.gz ULKAQPXVURAYLN-LUQKVYGDSA-N 1 0 364.449 2.228 20 30 FEEDRO Cn1cc(C[N@H+](C)[C@@H]2CCCN(Cc3noc(C4CC4)n3)C2)cc1C#N ZINC000365256329 555524328 /nfs/dbraw/zinc/52/43/28/555524328.db2.gz MLWVLHRUNASRFG-MRXNPFEDSA-N 1 0 354.458 2.254 20 30 FEEDRO CC(C)n1nc2c(cc1=O)C[N@@H+](CCC(=O)Nc1sccc1C#N)CC2 ZINC000365395860 555563922 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2.076 20 30 FEEDRO C=CCc1ccc(OCC(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)c(OC)c1 ZINC000366191927 555776841 /nfs/dbraw/zinc/77/68/41/555776841.db2.gz MLRKSAWURORGOO-GOSISDBHSA-N 1 0 374.481 2.172 20 30 FEEDRO COc1cc(C[NH2+]CCCN2C(=O)NC3(CCCCC3)C2=O)ccc1C#N ZINC000366920336 555970901 /nfs/dbraw/zinc/97/09/01/555970901.db2.gz GLVBYSHPSXLKME-UHFFFAOYSA-N 1 0 370.453 2.301 20 30 FEEDRO C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)Nc1cccc2c1CC[N@@H+](CC)C2 ZINC000367194498 556003395 /nfs/dbraw/zinc/00/33/95/556003395.db2.gz JRMRKUQQPUDVPQ-HNAYVOBHSA-N 1 0 371.481 2.101 20 30 FEEDRO C#CC[C@H](Cc1ccccc1)NC(=O)C(C)(C)CN1CCn2ccnc2C1 ZINC000367348408 556024191 /nfs/dbraw/zinc/02/41/91/556024191.db2.gz OEUZDUVROYNCED-LJQANCHMSA-N 1 0 364.493 2.476 20 30 FEEDRO N#Cc1ccc2ncc(C[NH2+][C@H]3CCN(C(=O)Cc4ccccc4)C3)n2c1 ZINC000367411027 556041460 /nfs/dbraw/zinc/04/14/60/556041460.db2.gz VHVZDBPJUSOQFP-SFHVURJKSA-N 1 0 359.433 2.139 20 30 FEEDRO C=CCOc1cccc(C[NH+]2CCC(NC(=O)c3cnn(C)c3)CC2)c1 ZINC000367423211 556044689 /nfs/dbraw/zinc/04/46/89/556044689.db2.gz QDDICAUGDRMDHH-UHFFFAOYSA-N 1 0 354.454 2.379 20 30 FEEDRO CN(CCC#N)C[C@@H](O)C[NH2+]Cc1ccc(Oc2ccc(F)cc2)nc1 ZINC000514788888 561979668 /nfs/dbraw/zinc/97/96/68/561979668.db2.gz PXOLYKWJDXZANH-KRWDZBQOSA-N 1 0 358.417 2.309 20 30 FEEDRO CC(C)[C@@H](CNC(=O)[C@@]1(C#N)CCc2ccccc2C1)[NH+]1CCN(C)CC1 ZINC000367571756 556086458 /nfs/dbraw/zinc/08/64/58/556086458.db2.gz XYNIJQDKMXAPOL-IRLDBZIGSA-N 1 0 368.525 2.073 20 30 FEEDRO CC(C)(C#N)CCS(=O)(=O)N1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000367689068 556115381 /nfs/dbraw/zinc/11/53/81/556115381.db2.gz QZNTVUMUHFEUFC-HDICACEKSA-N 1 0 361.511 2.320 20 30 FEEDRO COc1cc(OC)c2ncc(C#N)c(N3CCC[N@@H+]([C@H](C)CO)CC3)c2c1 ZINC000367825841 556148523 /nfs/dbraw/zinc/14/85/23/556148523.db2.gz LOBTUAKYGNUZHO-CQSZACIVSA-N 1 0 370.453 2.017 20 30 FEEDRO C=CCN(C(=O)C[C@@H]1CCCC(=O)N1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000367953954 556181421 /nfs/dbraw/zinc/18/14/21/556181421.db2.gz YFNBQTCYQSPMFB-RBUKOAKNSA-N 1 0 355.482 2.334 20 30 FEEDRO C=CCNC(=O)NC1CCC([NH+]2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000368253702 556259767 /nfs/dbraw/zinc/25/97/67/556259767.db2.gz RNWNNLPLLVRAEC-UHFFFAOYSA-N 1 0 366.506 2.336 20 30 FEEDRO Cc1oc(NC(=O)CN[C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@H]2C)c(C#N)c1C ZINC000368418866 556303659 /nfs/dbraw/zinc/30/36/59/556303659.db2.gz YZEQOJNHAWPSOL-MZMPZRCHSA-N 1 0 374.485 2.186 20 30 FEEDRO N#Cc1ccc(S(N)(=O)=O)cc1NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000368550297 556342532 /nfs/dbraw/zinc/34/25/32/556342532.db2.gz GXNQXOUADGKQQU-MRXNPFEDSA-N 1 0 370.478 2.140 20 30 FEEDRO C=CCN1C(=O)c2ccc(C(=O)NC(C)(C)C[NH+]3CCCC3)cc2C1=O ZINC000515428749 562010163 /nfs/dbraw/zinc/01/01/63/562010163.db2.gz RRVUEIVHXAGHOQ-UHFFFAOYSA-N 1 0 355.438 2.073 20 30 FEEDRO N#CC[C@@H]1CC[C@H](NC(=O)NC[C@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)C1 ZINC000515607999 562016743 /nfs/dbraw/zinc/01/67/43/562016743.db2.gz SLMHBGWVUKNYPR-GDAAHCPNSA-N 1 0 356.470 2.003 20 30 FEEDRO C[C@H](CO)[N@@H+]1CCCN(CC(=O)c2cn(CCC#N)c3ccccc23)CC1 ZINC000368972702 556464035 /nfs/dbraw/zinc/46/40/35/556464035.db2.gz GHHVKVVSBOKYOB-QGZVFWFLSA-N 1 0 368.481 2.126 20 30 FEEDRO COc1cc(C#N)ccc1OCC[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369015887 556477360 /nfs/dbraw/zinc/47/73/60/556477360.db2.gz HEHGVCGVLCXJAS-HNNXBMFYSA-N 1 0 371.397 2.387 20 30 FEEDRO C[C@@H](CNC(=O)N1CCCN(c2ccc(C#N)cc2)CC1)[N@H+](C)C1CC1 ZINC000369049984 556489445 /nfs/dbraw/zinc/48/94/45/556489445.db2.gz AUTNZXFTLXUMRP-INIZCTEOSA-N 1 0 355.486 2.263 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N2CCCN(c3nc(C)cs3)CC2)CC1 ZINC000369073746 556497633 /nfs/dbraw/zinc/49/76/33/556497633.db2.gz JALSDYKBLQDSJY-UHFFFAOYSA-N 1 0 363.531 2.324 20 30 FEEDRO CCC[NH+]1CCN(C2CCN(c3ccc([N+](=O)[O-])cc3C#N)CC2)CC1 ZINC000369152831 556518183 /nfs/dbraw/zinc/51/81/83/556518183.db2.gz ASNHDKRMDACXGP-UHFFFAOYSA-N 1 0 357.458 2.463 20 30 FEEDRO Cc1nc(CN2CCC[C@H]([NH2+]Cc3ccc(O[C@H](C)C#N)cc3)C2)no1 ZINC000369269865 556557619 /nfs/dbraw/zinc/55/76/19/556557619.db2.gz XCBWMLMUWBKAAX-PBHICJAKSA-N 1 0 355.442 2.423 20 30 FEEDRO COc1ccc([C@H](CCC#N)[NH2+]C[C@H]2CCC[C@]23NC(=O)N(C)C3=O)cc1 ZINC000369322332 556574427 /nfs/dbraw/zinc/57/44/27/556574427.db2.gz QRUHYAFLZOFPFS-SYNHAJSKSA-N 1 0 370.453 2.350 20 30 FEEDRO N#Cc1ccccc1OCC[NH+]1CCC(C(=O)NCC(F)(F)F)CC1 ZINC000516156788 562033181 /nfs/dbraw/zinc/03/31/81/562033181.db2.gz AENHBGMGJCJPJT-UHFFFAOYSA-N 1 0 355.360 2.328 20 30 FEEDRO CN1CCN(CC[NH2+]Cc2cnc3ccc(C#N)cn23)[C@@H](c2ccccc2)C1 ZINC000369480654 556608392 /nfs/dbraw/zinc/60/83/92/556608392.db2.gz QZDGLDSSEYJYDA-OAQYLSRUSA-N 1 0 374.492 2.284 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)C2CCN(C(=O)c3cccs3)CC2)CC1 ZINC000369758465 556686520 /nfs/dbraw/zinc/68/65/20/556686520.db2.gz XZJAECVSWZSIMX-UHFFFAOYSA-N 1 0 373.522 2.204 20 30 FEEDRO C[C@H](c1ccccc1)[C@@H](O)C[NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000516563790 562048057 /nfs/dbraw/zinc/04/80/57/562048057.db2.gz UQYOTORUHWWYRE-CZAAIQMYSA-N 1 0 363.461 2.413 20 30 FEEDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 ZINC000370000060 556753439 /nfs/dbraw/zinc/75/34/39/556753439.db2.gz SQKSHHPZVCPKDC-HNNXBMFYSA-N 1 0 370.432 2.689 20 30 FEEDRO CCc1nc(CN2C[C@H]3CN(Cc4cc(F)ccc4C#N)C[C@H]3C2)no1 ZINC000370413646 556865973 /nfs/dbraw/zinc/86/59/73/556865973.db2.gz GZMALAOQDDBENC-IYBDPMFKSA-N 1 0 355.417 2.207 20 30 FEEDRO C[C@H](C#N)Oc1ccccc1NC(=O)N1CCC[N@H+](CC(C)(C)O)CC1 ZINC000370416764 556866203 /nfs/dbraw/zinc/86/62/03/556866203.db2.gz ZPISNLSPZQYVQO-OAHLLOKOSA-N 1 0 360.458 2.288 20 30 FEEDRO CC(C)(Oc1ccc(C#N)cc1)C(=O)NC[C@H]1CCC[C@H]1[NH+]1CCOCC1 ZINC000370650270 556931117 /nfs/dbraw/zinc/93/11/17/556931117.db2.gz CLWXULNKXDTPGD-IEBWSBKVSA-N 1 0 371.481 2.333 20 30 FEEDRO O=C(C[NH2+][C@H]1CCO[C@@H]1C1CC1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000370667438 556934949 /nfs/dbraw/zinc/93/49/49/556934949.db2.gz MKAOYGMBAZCYKG-FUHWJXTLSA-N 1 0 366.383 2.330 20 30 FEEDRO CC(C)[C@H](Oc1ccccc1C#N)C(=O)NCCCC[NH+]1CCOCC1 ZINC000517099412 562075817 /nfs/dbraw/zinc/07/58/17/562075817.db2.gz QQAXNDRGTNHTDF-IBGZPJMESA-N 1 0 359.470 2.190 20 30 FEEDRO C=C(C)[C@@H](CC(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1)OCC ZINC000371063434 557062630 /nfs/dbraw/zinc/06/26/30/557062630.db2.gz OUURDSFGQLJFFD-GOSISDBHSA-N 1 0 351.535 2.424 20 30 FEEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000371228717 557113309 /nfs/dbraw/zinc/11/33/09/557113309.db2.gz HRZHPFAUQQIFFM-MAUKXSAKSA-N 1 0 356.470 2.199 20 30 FEEDRO COCCC[N@H+](C)CCNC(=O)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000371345848 557154580 /nfs/dbraw/zinc/15/45/80/557154580.db2.gz YDYXRPUMDDPJOX-UHFFFAOYSA-N 1 0 356.470 2.325 20 30 FEEDRO C[N@@H+]1CC[C@H]2CCN(S(=O)(=O)c3ccc(C#N)cc3C(F)(F)F)C[C@@H]21 ZINC000371505384 557203204 /nfs/dbraw/zinc/20/32/04/557203204.db2.gz IXDNJDMMVNYEGN-JSGCOSHPSA-N 1 0 373.400 2.292 20 30 FEEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCCN(c3nccn4cnnc34)C1)CC2 ZINC000517786251 562098127 /nfs/dbraw/zinc/09/81/27/562098127.db2.gz PUVMEXFRHUPIHR-QFBILLFUSA-N 1 0 373.464 2.489 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N2CCN(CCc3ccccc3)CC2)CC1 ZINC000518022730 562102845 /nfs/dbraw/zinc/10/28/45/562102845.db2.gz KDABAGPYHPLNGA-UHFFFAOYSA-N 1 0 356.514 2.207 20 30 FEEDRO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[NH2+]C[C@@H]2CN(C3CC3)CCO2)cc1 ZINC000371793291 557294766 /nfs/dbraw/zinc/29/47/66/557294766.db2.gz VNORVZCZWGSFDF-FXAWDEMLSA-N 1 0 370.497 2.083 20 30 FEEDRO COc1ccccc1N1CC[C@@H](C)N(CC(=O)N[C@](C)(C#N)C2CC2)CC1 ZINC000372197989 557407025 /nfs/dbraw/zinc/40/70/25/557407025.db2.gz VDNOMRQOTASHJW-IIBYNOLFSA-N 1 0 370.497 2.404 20 30 FEEDRO C[NH+](C)Cc1ccc(CNC(=O)C(=O)Nc2ccc(C#N)c(F)c2)cc1F ZINC000519038935 562123718 /nfs/dbraw/zinc/12/37/18/562123718.db2.gz SHPWDCANMBVDJW-UHFFFAOYSA-N 1 0 372.375 2.153 20 30 FEEDRO CO[C@H]1C[C@H](c2nc(C3CC3)no2)N(C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000372453198 557474376 /nfs/dbraw/zinc/47/43/76/557474376.db2.gz BYODSUOVTJNIFJ-BBWFWOEESA-N 1 0 354.410 2.314 20 30 FEEDRO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](C)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000372715900 557545087 /nfs/dbraw/zinc/54/50/87/557545087.db2.gz KTXIUJCSJVKQQY-HNNXBMFYSA-N 1 0 372.517 2.002 20 30 FEEDRO COC(=O)c1ccc(N2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c(C#N)n1 ZINC000519667349 562139119 /nfs/dbraw/zinc/13/91/19/562139119.db2.gz DLCXDJYCZKHMTA-HUUCEWRRSA-N 1 0 372.469 2.065 20 30 FEEDRO CN(C)CC[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)C(C)(C)C ZINC000519814469 562144947 /nfs/dbraw/zinc/14/49/47/562144947.db2.gz ONZDZWAZXDDAME-QGZVFWFLSA-N 1 0 351.516 2.288 20 30 FEEDRO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+]1CC[C@@](O)(C2CC2)C1 ZINC000373240173 557656473 /nfs/dbraw/zinc/65/64/73/557656473.db2.gz CDTOSONFVBHYDP-QRWLVFNGSA-N 1 0 357.454 2.177 20 30 FEEDRO CCCNC(=O)CN(C)C(=O)C[N@@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC000520173863 562149884 /nfs/dbraw/zinc/14/98/84/562149884.db2.gz FKHMASVAJCBQKE-UHFFFAOYSA-N 1 0 358.486 2.001 20 30 FEEDRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N1CCC(n2cnc(C#N)n2)CC1 ZINC000373450652 557695995 /nfs/dbraw/zinc/69/59/95/557695995.db2.gz ACVOZKYXGSKACK-INIZCTEOSA-N 1 0 373.505 2.151 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2CCC[C@H]3C[NH2+]CCC[C@H]32)cc1Cl ZINC000373548927 557716428 /nfs/dbraw/zinc/71/64/28/557716428.db2.gz PXALHVMHJMFMOH-XJKSGUPXSA-N 1 0 353.875 2.364 20 30 FEEDRO CCc1nc(CN2C[C@@H]3C[NH+](Cc4ccc(C#N)c(OC)c4)C[C@H]3C2)no1 ZINC000374204219 557843142 /nfs/dbraw/zinc/84/31/42/557843142.db2.gz IEPNRGFNRUSKBZ-IRXDYDNUSA-N 1 0 367.453 2.076 20 30 FEEDRO C[C@H](NC(=O)N1CCC(C#N)(c2ccccn2)CC1)C1=CC[N@H+](C)CC1 ZINC000374417213 557881334 /nfs/dbraw/zinc/88/13/34/557881334.db2.gz UNAXKILHEVCUPA-INIZCTEOSA-N 1 0 353.470 2.299 20 30 FEEDRO C[C@H](C#N)Oc1ccccc1NC(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000374759611 557926662 /nfs/dbraw/zinc/92/66/62/557926662.db2.gz KFLBGBSBAOCWIB-OIISXLGYSA-N 1 0 358.442 2.040 20 30 FEEDRO C[C@H](OC[C@H]1CCCO1)C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000374896906 557947664 /nfs/dbraw/zinc/94/76/64/557947664.db2.gz PBTBTTAVWAAPOE-PKOBYXMFSA-N 1 0 371.481 2.245 20 30 FEEDRO C=CCc1ccc(OC[C@H](O)CN2CC[C@@H]3CC[N@H+](C)[C@H]3C2)c(OC)c1 ZINC000375028309 557966635 /nfs/dbraw/zinc/96/66/35/557966635.db2.gz CFOVCQMEYJXRGQ-OTWHNJEPSA-N 1 0 360.498 2.189 20 30 FEEDRO C[NH+](C)Cc1ccc(C(=O)N2CCCN(c3ccccc3C#N)CC2)cn1 ZINC000375095929 557977247 /nfs/dbraw/zinc/97/72/47/557977247.db2.gz YUWWZNZQMQMJPZ-UHFFFAOYSA-N 1 0 363.465 2.367 20 30 FEEDRO COC(=O)c1cn([C@@H]2CC[N@H+](Cc3cccc(OCCCC#N)c3)C2)nn1 ZINC000375203126 557991594 /nfs/dbraw/zinc/99/15/94/557991594.db2.gz UBQXRRIOZKQPCS-MRXNPFEDSA-N 1 0 369.425 2.194 20 30 FEEDRO CN1c2ccccc2C(C)(C)/C1=C/C(=O)CN1CC[C@H](n2cncn2)C1 ZINC000375327213 558009620 /nfs/dbraw/zinc/00/96/20/558009620.db2.gz HZNPAVVQBDSUTP-HNIBHBHRSA-N 1 0 351.454 2.406 20 30 FEEDRO C=C[C@](C)(CCOC)C(=O)N1CCC([NH+]2CCN(C(C)C)CC2)CC1 ZINC000375356794 558014779 /nfs/dbraw/zinc/01/47/79/558014779.db2.gz OWTVLTZSMYYQQR-HXUWFJFHSA-N 1 0 351.535 2.232 20 30 FEEDRO C=CCN1CC[C@H]([N@@H+]2CCC[C@H](c3nc(-c4ccccc4)n[nH]3)C2)C1=O ZINC000375605875 558056030 /nfs/dbraw/zinc/05/60/30/558056030.db2.gz FVWWXOZXZNEYPZ-IRXDYDNUSA-N 1 0 351.454 2.438 20 30 FEEDRO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2ccnc(COC)n2)C1 ZINC000375759865 558078479 /nfs/dbraw/zinc/07/84/79/558078479.db2.gz PKNMZIKBYZEHLT-IAGOWNOFSA-N 1 0 358.486 2.392 20 30 FEEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)N1CC[C@@H]([NH+]2CCCC2)[C@@H]1C ZINC000376525382 558185568 /nfs/dbraw/zinc/18/55/68/558185568.db2.gz DNQYLLMJCBRACM-PKOBYXMFSA-N 1 0 357.502 2.431 20 30 FEEDRO COC(=O)[C@H](NC[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)c1cccc(C#N)c1 ZINC000376691141 558209327 /nfs/dbraw/zinc/20/93/27/558209327.db2.gz RNZJHLCJVNYGGU-ZCNNSNEGSA-N 1 0 364.449 2.450 20 30 FEEDRO CC(C)(C)c1csc(NC(=O)C(=O)NCCC[NH+]2CCCC2)c1C#N ZINC000521984840 562188067 /nfs/dbraw/zinc/18/80/67/562188067.db2.gz NBYTXHRJKIAYTC-UHFFFAOYSA-N 1 0 362.499 2.458 20 30 FEEDRO C=CC1CC[NH+]([C@H](C)C(=O)Nc2cc(C(=O)OC)cc(C(=O)OC)c2)CC1 ZINC000522083814 562191162 /nfs/dbraw/zinc/19/11/62/562191162.db2.gz UMAOEZMOVGBVBQ-CYBMUJFWSA-N 1 0 374.437 2.485 20 30 FEEDRO C=CCN(C(=O)c1ccn(C)c(=O)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000377571706 558368424 /nfs/dbraw/zinc/36/84/24/558368424.db2.gz DOMDFIIOAQYIID-IBGZPJMESA-N 1 0 351.450 2.288 20 30 FEEDRO N#CC1(C(=O)NCC2CC[NH+](CCc3ccccc3)CC2)CCOCC1 ZINC000377614912 558377744 /nfs/dbraw/zinc/37/77/44/558377744.db2.gz LHELFJRUWWMQTB-UHFFFAOYSA-N 1 0 355.482 2.378 20 30 FEEDRO CCN(CCC#N)C(=O)CN1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000377766671 558415818 /nfs/dbraw/zinc/41/58/18/558415818.db2.gz LEKQGMLWXYUITK-PMACEKPBSA-N 1 0 354.498 2.202 20 30 FEEDRO CC(C)(C#N)CCS(=O)(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000377835122 558431381 /nfs/dbraw/zinc/43/13/81/558431381.db2.gz RAWLQSMHVRSSIZ-GOSISDBHSA-N 1 0 363.527 2.410 20 30 FEEDRO Cn1cc(Cl)cc1C(=O)N1CCC[N@H+](CCCSCC#N)CC1 ZINC000377908499 558445779 /nfs/dbraw/zinc/44/57/79/558445779.db2.gz UYAPAZHFDYVMIJ-UHFFFAOYSA-N 1 0 354.907 2.473 20 30 FEEDRO Cc1c(C#N)cccc1NC(=O)N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000378193790 558500373 /nfs/dbraw/zinc/50/03/73/558500373.db2.gz ZSKHKGMUMSGAIU-GOSISDBHSA-N 1 0 355.486 2.499 20 30 FEEDRO CCN1CC[NH+](C[C@H](C)CNC(=O)[C@]2(C#N)CCc3ccccc3C2)CC1 ZINC000378463438 558562871 /nfs/dbraw/zinc/56/28/71/558562871.db2.gz QLTOTZZCIKUZED-XMSQKQJNSA-N 1 0 368.525 2.075 20 30 FEEDRO N#Cc1ccc(N2CC[C@H](N3CC[C@@](O)(c4ccc(F)cc4)C3)C2=O)cc1 ZINC000378514609 558573117 /nfs/dbraw/zinc/57/31/17/558573117.db2.gz FZVSPBCWDQCMEP-FPOVZHCZSA-N 1 0 365.408 2.396 20 30 FEEDRO CN(C1CC[NH+](Cc2ccccc2)CC1)S(=O)(=O)c1cncc(C#N)c1 ZINC000388890946 558609434 /nfs/dbraw/zinc/60/94/34/558609434.db2.gz FUNJGVMGNRIDNL-UHFFFAOYSA-N 1 0 370.478 2.238 20 30 FEEDRO C[C@H](C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C)n1cnc(C#N)n1 ZINC000409461924 558694697 /nfs/dbraw/zinc/69/46/97/558694697.db2.gz AYDBPKVIEWNZEU-JKSUJKDBSA-N 1 0 366.469 2.402 20 30 FEEDRO CC[N@H+](CCC1CCN(S(=O)(=O)N(C)C[C@H](C)C#N)CC1)CC1CC1 ZINC000409482855 558696028 /nfs/dbraw/zinc/69/60/28/558696028.db2.gz HBVRLLFKJFAXHQ-MRXNPFEDSA-N 1 0 370.563 2.157 20 30 FEEDRO C=CCNC(=O)NC(=O)CN(CC)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000524599481 562230908 /nfs/dbraw/zinc/23/09/08/562230908.db2.gz KJJPNUWDVYHCGE-FUHWJXTLSA-N 1 0 358.486 2.156 20 30 FEEDRO Cc1ccnc(N2CCN(C(=O)c3ccn(-c4cccc(C#N)c4)n3)CC2)c1 ZINC000409825529 558721348 /nfs/dbraw/zinc/72/13/48/558721348.db2.gz XUWKBGJBMWFNAI-UHFFFAOYSA-N 1 0 372.432 2.410 20 30 FEEDRO CCN(C[C@@H](C)C#N)S(=O)(=O)NC[C@@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000410099352 558738389 /nfs/dbraw/zinc/73/83/89/558738389.db2.gz LJXIZXOWDYUEDT-HOCLYGCPSA-N 1 0 368.503 2.041 20 30 FEEDRO CCN(C[C@H](C)C#N)S(=O)(=O)N[C@H](C)[C@@H](c1ccccc1C)[NH+](C)C ZINC000410411683 558755817 /nfs/dbraw/zinc/75/58/17/558755817.db2.gz SIKIIYNLIRXQFR-KYJSFNMBSA-N 1 0 366.531 2.302 20 30 FEEDRO C=CCCCN(C)C(=O)C(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000410688643 558799121 /nfs/dbraw/zinc/79/91/21/558799121.db2.gz OCGVHDJNCLXQJD-UHFFFAOYSA-N 1 0 358.486 2.181 20 30 FEEDRO C=CCNC(=O)CN1CCN(Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000411126463 558841383 /nfs/dbraw/zinc/84/13/83/558841383.db2.gz OVLXOWOHJKWCCV-UHFFFAOYSA-N 1 0 370.541 2.092 20 30 FEEDRO C=CCC(C)(C)CNC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(F)c1 ZINC000411555184 558916309 /nfs/dbraw/zinc/91/63/09/558916309.db2.gz GPJLFNOKTBJKQL-UHFFFAOYSA-N 1 0 365.449 2.423 20 30 FEEDRO C=CC[N@@H+](C)CCN(CC)CC(=O)Nc1nnc(-c2sccc2C)o1 ZINC000411642316 558934798 /nfs/dbraw/zinc/93/47/98/558934798.db2.gz MTOYJRJMHWYGKE-UHFFFAOYSA-N 1 0 363.487 2.485 20 30 FEEDRO C=CC[N@@H+](C)CCN(CC)Cc1nc(N)nc(Nc2ccc(C)cc2)n1 ZINC000411646925 558935334 /nfs/dbraw/zinc/93/53/34/558935334.db2.gz WVEFVUJWGUXSIH-UHFFFAOYSA-N 1 0 355.490 2.446 20 30 FEEDRO COC(=O)[C@H]1CN(CC#Cc2ccc(C(F)(F)F)cc2)CC[N@H+](C)C1 ZINC000411911054 558986387 /nfs/dbraw/zinc/98/63/87/558986387.db2.gz SULROPUFBOFEBM-OAHLLOKOSA-N 1 0 354.372 2.094 20 30 FEEDRO C=CC[C@H](C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1)c1ccccc1 ZINC000412469335 559037624 /nfs/dbraw/zinc/03/76/24/559037624.db2.gz WVXBZTCOEUJHPN-FQEVSTJZSA-N 1 0 371.525 2.259 20 30 FEEDRO C=CCC[C@H](NC(=O)N1CC[N@H+](C)C[C@@H](C(=O)OC)C1)c1ccccc1 ZINC000413402922 559105375 /nfs/dbraw/zinc/10/53/75/559105375.db2.gz NXSRQVHZHAZVPQ-MSOLQXFVSA-N 1 0 359.470 2.440 20 30 FEEDRO Cc1cc(OC(C)C)ccc1NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C ZINC000526125068 562267697 /nfs/dbraw/zinc/26/76/97/562267697.db2.gz ZGRFLHFZCOMURK-UHFFFAOYSA-N 1 0 374.485 2.415 20 30 FEEDRO C=CC[C@H](Cc1ccccc1)NC(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC000413825457 559133083 /nfs/dbraw/zinc/13/30/83/559133083.db2.gz GGEKKUPIQSGQLU-HXUWFJFHSA-N 1 0 358.530 2.453 20 30 FEEDRO N#Cc1ccc(NC(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])cc1Cl ZINC000414719376 559181936 /nfs/dbraw/zinc/18/19/36/559181936.db2.gz YERLMEMHWGNEFY-AWEZNQCLSA-N 1 0 363.849 2.063 20 30 FEEDRO CCN(C[C@@H](C)C#N)C(=O)C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000415102417 559205329 /nfs/dbraw/zinc/20/53/29/559205329.db2.gz DRVUJJRSRXFOPH-JTQLQIEISA-N 1 0 356.348 2.111 20 30 FEEDRO C[C@H]1C[NH2+]CCN1C(=O)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000415348002 559226108 /nfs/dbraw/zinc/22/61/08/559226108.db2.gz VCWTZBRPNRENJH-AWEZNQCLSA-N 1 0 364.405 2.109 20 30 FEEDRO N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N3CC[C@H](C[NH3+])C3)cc2)cc1 ZINC000415358614 559227260 /nfs/dbraw/zinc/22/72/60/559227260.db2.gz UOXYKRZTBUBDBQ-OAHLLOKOSA-N 1 0 364.405 2.096 20 30 FEEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N(C)[C@H](C)C[NH3+] ZINC000415423897 559234545 /nfs/dbraw/zinc/23/45/45/559234545.db2.gz ZUSPIUYGJPVRFH-CQSZACIVSA-N 1 0 366.421 2.403 20 30 FEEDRO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)Nc1nc(-c2cccc(C#N)c2)cs1 ZINC000415437251 559236781 /nfs/dbraw/zinc/23/67/81/559236781.db2.gz ZELURAZQUNIORH-CQSZACIVSA-N 1 0 371.466 2.110 20 30 FEEDRO C[C@](C[NH3+])(NC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1)C1CC1 ZINC000415439695 559237244 /nfs/dbraw/zinc/23/72/44/559237244.db2.gz DCSCIGOTYCAUQT-QGZVFWFLSA-N 1 0 358.833 2.646 20 30 FEEDRO N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)N[C@@H]2CC[C@H](C[NH3+])C2)n1 ZINC000415461729 559239689 /nfs/dbraw/zinc/23/96/89/559239689.db2.gz OJQMHCOWTDMPMJ-SMDDNHRTSA-N 1 0 358.833 2.646 20 30 FEEDRO CN(CC(C)(C)C[NH3+])C(=O)C(=O)Nc1cccc(C#Cc2ccccc2)c1 ZINC000415477996 559241618 /nfs/dbraw/zinc/24/16/18/559241618.db2.gz BZESCJPXRQBLJO-UHFFFAOYSA-N 1 0 363.461 2.468 20 30 FEEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000415490964 559242861 /nfs/dbraw/zinc/24/28/61/559242861.db2.gz AVAAFAZYYYJMGQ-OAHLLOKOSA-N 1 0 360.458 2.116 20 30 FEEDRO C[C@H]1CN(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)CC[NH2+]1 ZINC000415562671 559249991 /nfs/dbraw/zinc/24/99/91/559249991.db2.gz OWHNEFHOGMDEDU-AWEZNQCLSA-N 1 0 355.442 2.095 20 30 FEEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000415563902 559250061 /nfs/dbraw/zinc/25/00/61/559250061.db2.gz HPXOINNOUJJQGC-RDBSUJKOSA-N 1 0 360.483 2.073 20 30 FEEDRO O=C(NCC[C@H]1CCC[NH2+]1)C(=O)Nc1ccccc1C#Cc1ccccc1 ZINC000415627687 559256362 /nfs/dbraw/zinc/25/63/62/559256362.db2.gz YFQJXWRLMUFBRZ-LJQANCHMSA-N 1 0 361.445 2.283 20 30 FEEDRO N#Cc1cccc(-c2csc(NC(=O)C(=O)N[C@@H]3CCC[C@H]([NH3+])C3)n2)c1 ZINC000415636210 559257177 /nfs/dbraw/zinc/25/71/77/559257177.db2.gz FBEXQARNJHKINV-UONOGXRCSA-N 1 0 369.450 2.006 20 30 FEEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000415647794 559258024 /nfs/dbraw/zinc/25/80/24/559258024.db2.gz OFRJOBQOBDXDHL-HZSPNIEDSA-N 1 0 360.483 2.405 20 30 FEEDRO CC[NH2+][C@H](C)CNC(=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 ZINC000415667608 559260065 /nfs/dbraw/zinc/26/00/65/559260065.db2.gz YHZYRDRKPAGCNB-CQSZACIVSA-N 1 0 366.421 2.403 20 30 FEEDRO CC1(C)CCC[NH2+][C@H]1CNC(=O)C(=O)Nc1cccc(OCCCC#N)c1 ZINC000415679988 559261163 /nfs/dbraw/zinc/26/11/63/559261163.db2.gz SUPMGFHTECAINE-KRWDZBQOSA-N 1 0 372.469 2.202 20 30 FEEDRO CC(C)(C)c1csc(NC(=O)C(=O)N2CCNC[C@](C)(F)C2)c1C#N ZINC000415794897 559271856 /nfs/dbraw/zinc/27/18/56/559271856.db2.gz XVOSKXOXJMFPFW-KRWDZBQOSA-N 1 0 366.462 2.016 20 30 FEEDRO CC(C)(C)c1csc(NC(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)c1C#N ZINC000415821038 559275055 /nfs/dbraw/zinc/27/50/55/559275055.db2.gz FACZIIWBCAQZPH-AWEZNQCLSA-N 1 0 362.499 2.489 20 30 FEEDRO CC(C)(C)c1cc(C#N)c(NC(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)s1 ZINC000415823920 559275387 /nfs/dbraw/zinc/27/53/87/559275387.db2.gz SLINCKFKJLAGEN-ZDUSSCGKSA-N 1 0 362.499 2.489 20 30 FEEDRO C[C@@H]1CN(C(=O)C(=O)Nc2sc(C(C)(C)C)cc2C#N)C[C@@]1(C)C[NH3+] ZINC000415841070 559277462 /nfs/dbraw/zinc/27/74/62/559277462.db2.gz NFGSRPXQGKSHRC-ADLMAVQZSA-N 1 0 362.499 2.299 20 30 FEEDRO CC[NH2+]Cc1ccccc1NC(=O)N1CCN(c2cc(C#N)ccn2)CC1 ZINC000415944107 559283748 /nfs/dbraw/zinc/28/37/48/559283748.db2.gz OANLKVBYMJXHMA-UHFFFAOYSA-N 1 0 364.453 2.417 20 30 FEEDRO C[C@@H]1CCN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)[C@H](C[NH3+])C1 ZINC000417568286 559367102 /nfs/dbraw/zinc/36/71/02/559367102.db2.gz BEYOZQBODYLAGK-PVAVHDDUSA-N 1 0 373.476 2.435 20 30 FEEDRO C=CCC[C@@H](NC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)c1ccccc1 ZINC000417910493 559381602 /nfs/dbraw/zinc/38/16/02/559381602.db2.gz JZPPRGUSBJJCTP-ZWKOTPCHSA-N 1 0 358.486 2.190 20 30 FEEDRO CC(C)C[C@H](C[NH3+])NC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000417964205 559384298 /nfs/dbraw/zinc/38/42/98/559384298.db2.gz JDZPWAQCNXQPQT-AQFXKWCLSA-N 1 0 359.474 2.316 20 30 FEEDRO N#Cc1ccc(N2CCC[C@H](NC(=O)NCC3([NH3+])CCCCC3)C2=O)cc1 ZINC000418014169 559386575 /nfs/dbraw/zinc/38/65/75/559386575.db2.gz UJEDNPQFMLFGLI-KRWDZBQOSA-N 1 0 369.469 2.014 20 30 FEEDRO N#Cc1cccnc1OC1CCC(NC(=O)NCCC[C@@H]2CCC[NH2+]2)CC1 ZINC000418051906 559388259 /nfs/dbraw/zinc/38/82/59/559388259.db2.gz SUYZGLJZAOFVRQ-AOCRQIFASA-N 1 0 371.485 2.475 20 30 FEEDRO C[C@@H](CCCC[NH3+])NC(=O)NC1CCC(Oc2ncccc2C#N)CC1 ZINC000418050945 559388312 /nfs/dbraw/zinc/38/83/12/559388312.db2.gz QMDXRBFUAOHOQO-OOHWJJMZSA-N 1 0 359.474 2.460 20 30 FEEDRO N#Cc1cccc(NC(=O)C2CCN(C(=O)N[C@H]3CCC[C@H]([NH3+])C3)CC2)c1 ZINC000418570643 559406673 /nfs/dbraw/zinc/40/66/73/559406673.db2.gz DBHZJNNHEKCCAI-WMZOPIPTSA-N 1 0 369.469 2.188 20 30 FEEDRO N#CC1(F)CCN(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000418571755 559406779 /nfs/dbraw/zinc/40/67/79/559406779.db2.gz RSTBQOAZVGEIRY-CZUORRHYSA-N 1 0 366.387 2.448 20 30 FEEDRO N#Cc1ccc(OC2CCN(C(=O)N[C@H]3CC[C@H](C[NH3+])C3)CC2)c(F)c1 ZINC000418787117 559416067 /nfs/dbraw/zinc/41/60/67/559416067.db2.gz JMSZGRNAYFLGTO-ZFWWWQNUSA-N 1 0 360.433 2.378 20 30 FEEDRO C[C@@H](NC(=O)C(=O)N(C)[C@H](C)C[NH3+])c1ccc(-c2cccc(C#N)c2)cc1 ZINC000419208275 559432689 /nfs/dbraw/zinc/43/26/89/559432689.db2.gz NYCGNOOZOIYIOD-HUUCEWRRSA-N 1 0 364.449 2.208 20 30 FEEDRO C[C@@H](NC(=O)C(=O)NCC(C)(C)[NH3+])c1ccc(-c2cccc(C#N)c2)cc1 ZINC000419207014 559432714 /nfs/dbraw/zinc/43/27/14/559432714.db2.gz LTWPSZZJZBBCRU-CQSZACIVSA-N 1 0 364.449 2.256 20 30 FEEDRO C[C@H](NC(=O)C(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1)c1ccc(C#N)cc1 ZINC000419280561 559435145 /nfs/dbraw/zinc/43/51/45/559435145.db2.gz JJZDGOPCUNYXAQ-ZYSHUDEJSA-N 1 0 368.481 2.116 20 30 FEEDRO N#CCC[C@@H](NC(=O)C(=O)N1CCC2(CC[NH2+]CC2)CC1)c1ccccc1 ZINC000419476468 559444252 /nfs/dbraw/zinc/44/42/52/559444252.db2.gz PQWLZDHFJQUYIV-GOSISDBHSA-N 1 0 368.481 2.140 20 30 FEEDRO N#CCC[C@@H](NC(=O)C(=O)NCc1ccc2c(c1)C[NH2+]C2)c1ccccc1 ZINC000419477224 559444523 /nfs/dbraw/zinc/44/45/23/559444523.db2.gz REEVPNUAQKLNMZ-LJQANCHMSA-N 1 0 362.433 2.067 20 30 FEEDRO C=C(C)[C@@H](NC(=O)C(=O)N1CCCC[C@@H]1C[NH3+])c1ccc(F)c(F)c1 ZINC000419674670 559453211 /nfs/dbraw/zinc/45/32/11/559453211.db2.gz JILNVKHGCPCIQY-CZUORRHYSA-N 1 0 351.397 2.038 20 30 FEEDRO C=C(C)[C@H](NC(=O)C(=O)N1CC[NH2+]C[C@@H]1CCC)c1ccc(F)c(F)c1 ZINC000419679883 559453664 /nfs/dbraw/zinc/45/36/64/559453664.db2.gz QEOBZQGRSCHSIR-YOEHRIQHSA-N 1 0 365.424 2.299 20 30 FEEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000419854027 559462326 /nfs/dbraw/zinc/46/23/26/559462326.db2.gz FUOCTTZQUSFUJG-GFCCVEGCSA-N 1 0 355.891 2.032 20 30 FEEDRO C=CCN(CCc1ccccc1)C(=O)C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000420107336 559473050 /nfs/dbraw/zinc/47/30/50/559473050.db2.gz VWOOLXIIOWPWRK-UHFFFAOYSA-N 1 0 363.461 2.163 20 30 FEEDRO C[C@@H]1CCN(S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)[C@@H](C[NH3+])C1 ZINC000420423789 559486950 /nfs/dbraw/zinc/48/69/50/559486950.db2.gz OYXKMFGTAQYEIL-ZYHUDNBSSA-N 1 0 361.389 2.325 20 30 FEEDRO C[C@@H]1C[C@H](CO)C[N@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC000420943023 559513286 /nfs/dbraw/zinc/51/32/86/559513286.db2.gz PKMHLGJVAWUPJP-ZBFHGGJFSA-N 1 0 368.399 2.123 20 30 FEEDRO C[N@H+](CCCC(C)(C)C#N)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420969842 559515594 /nfs/dbraw/zinc/51/55/94/559515594.db2.gz CWRJLYMJWOOYBJ-UHFFFAOYSA-N 1 0 368.459 2.135 20 30 FEEDRO CC(=O)N[C@@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)C1 ZINC000420988400 559517707 /nfs/dbraw/zinc/51/77/07/559517707.db2.gz QLBNCHRSXCMZPM-CYBMUJFWSA-N 1 0 360.483 2.038 20 30 FEEDRO CCOC(=O)c1c(NC(=O)NC[C@H]2CC[N@H+](CC)C2)c(C#N)cn1CC ZINC000421162925 559527983 /nfs/dbraw/zinc/52/79/83/559527983.db2.gz GZYDGFPYNKBWAU-CYBMUJFWSA-N 1 0 361.446 2.020 20 30 FEEDRO CCOC(=O)c1c(NC(=O)NCC[N@H+]2CC=C(C)CC2)c(C#N)cn1CC ZINC000421174565 559528924 /nfs/dbraw/zinc/52/89/24/559528924.db2.gz NWTBKHAIBPEZAU-UHFFFAOYSA-N 1 0 373.457 2.330 20 30 FEEDRO CC(C)[C@@H](CNC(=O)C(=O)NCC(C)(C)CC#N)[NH+]1CCCCCC1 ZINC000421254418 559533792 /nfs/dbraw/zinc/53/37/92/559533792.db2.gz ZHHOGNMNQVYVDZ-MRXNPFEDSA-N 1 0 350.507 2.059 20 30 FEEDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)Nc1ccccc1SCCC#N ZINC000421303392 559537468 /nfs/dbraw/zinc/53/74/68/559537468.db2.gz SAMOJOSPRDDSML-CQSZACIVSA-N 1 0 360.483 2.183 20 30 FEEDRO CCOC(=O)c1ccc(N2CC([NH2+]Cc3ccc(C#N)c(F)c3)C2)nc1 ZINC000421340956 559539604 /nfs/dbraw/zinc/53/96/04/559539604.db2.gz JHCPYQAQDBZCDH-UHFFFAOYSA-N 1 0 354.385 2.247 20 30 FEEDRO C[C@H]1C[C@H](NC(=O)C(=O)NCC(C)(C)CC#N)CC[N@@H+]1Cc1ccccc1 ZINC000422307700 559577432 /nfs/dbraw/zinc/57/74/32/559577432.db2.gz OMHFXMXLRJNVJM-FUHWJXTLSA-N 1 0 370.497 2.212 20 30 FEEDRO COc1ccc(Cn2ncc(C)c2NC(=O)[C@@H]([NH3+])CCCC#N)cc1OC ZINC000424101855 559654827 /nfs/dbraw/zinc/65/48/27/559654827.db2.gz KNKNWQOUYXLUIZ-HNNXBMFYSA-N 1 0 371.441 2.217 20 30 FEEDRO COC(=O)c1cccc(Cc2cnc(NC(=O)[C@@H]([NH3+])CCCC#N)s2)c1 ZINC000424113936 559655148 /nfs/dbraw/zinc/65/51/48/559655148.db2.gz PDMJNGIMONDXET-HNNXBMFYSA-N 1 0 372.450 2.480 20 30 FEEDRO CCC(CC)NC(=O)[C@@H]1CN(C(=O)[C@H]([NH3+])CCCC#N)c2ccccc2O1 ZINC000424117409 559655275 /nfs/dbraw/zinc/65/52/75/559655275.db2.gz YNZYLNNLMYZYSU-QAPCUYQASA-N 1 0 372.469 2.107 20 30 FEEDRO C[C@@H](CNC(=O)[C@H]([NH3+])CCCC#N)Oc1cccc(Br)c1 ZINC000424124622 559655478 /nfs/dbraw/zinc/65/54/78/559655478.db2.gz MMWIENWHXCGVLG-SMDDNHRTSA-N 1 0 354.248 2.354 20 30 FEEDRO C[C@@H](c1ccc(F)cc1F)N1CCN(C(=O)[C@H]([NH3+])CCCC#N)CC1 ZINC000424153180 559656173 /nfs/dbraw/zinc/65/61/73/559656173.db2.gz JREPQZVMFNJLAH-SUMWQHHRSA-N 1 0 350.413 2.191 20 30 FEEDRO N#CCCC[C@H]([NH3+])C(=O)Nc1ccc2c(c1)CCC(=O)N2CC(F)(F)F ZINC000424177783 559656818 /nfs/dbraw/zinc/65/68/18/559656818.db2.gz VFBZJWZSWBSNMC-ZDUSSCGKSA-N 1 0 368.359 2.488 20 30 FEEDRO CCOc1ccccc1CN1CCN(C(=O)[C@@H]([NH3+])CCCC#N)[C@@H](C)C1 ZINC000424178545 559656834 /nfs/dbraw/zinc/65/68/34/559656834.db2.gz WWCQRODFOROPDD-WMZOPIPTSA-N 1 0 358.486 2.139 20 30 FEEDRO C=C(C)CN(Cc1ccc(CO)o1)C(=O)C(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000424467512 559666504 /nfs/dbraw/zinc/66/65/04/559666504.db2.gz NEOWSSJMWACMBW-UHFFFAOYSA-N 1 0 371.437 2.082 20 30 FEEDRO C=CCCn1cc(C(=O)N[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)nn1 ZINC000424778345 559676317 /nfs/dbraw/zinc/67/63/17/559676317.db2.gz DYRGJXBUKUPLHY-FUHWJXTLSA-N 1 0 353.470 2.495 20 30 FEEDRO CC(C)[NH+]1CCC(N2CCN(c3c(C#N)cccc3[N+](=O)[O-])CC2)CC1 ZINC000425241327 559692867 /nfs/dbraw/zinc/69/28/67/559692867.db2.gz PXTYAMIUWSRRMG-UHFFFAOYSA-N 1 0 357.458 2.461 20 30 FEEDRO C=CCn1cc(CNC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)nn1 ZINC000425470003 559703927 /nfs/dbraw/zinc/70/39/27/559703927.db2.gz FGMUZBQUSDKQHH-WMZOPIPTSA-N 1 0 368.485 2.316 20 30 FEEDRO COCC(C)(C)[NH+]1CCN(CC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000425508738 559706931 /nfs/dbraw/zinc/70/69/31/559706931.db2.gz SFZZJIWQQQAPJJ-UHFFFAOYSA-N 1 0 364.877 2.193 20 30 FEEDRO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+](C)CCCN1C(=O)c2ccccc2C1=O ZINC000425544527 559708947 /nfs/dbraw/zinc/70/89/47/559708947.db2.gz POTRQFXOAIQQGS-MRXNPFEDSA-N 1 0 371.481 2.418 20 30 FEEDRO C=CCn1cc(CNC(=O)NC[C@H](c2ccc(C)cc2)[NH+]2CCCC2)nn1 ZINC000425561357 559709779 /nfs/dbraw/zinc/70/97/79/559709779.db2.gz ANOUGDBMBPDWRA-LJQANCHMSA-N 1 0 368.485 2.409 20 30 FEEDRO CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)c2cccc(F)c2C#N)CC1 ZINC000427129948 559748535 /nfs/dbraw/zinc/74/85/35/559748535.db2.gz CLSDXCNRZKCKFS-UHFFFAOYSA-N 1 0 374.460 2.054 20 30 FEEDRO Cc1ccccc1[C@H]([C@@H](C)NS(=O)(=O)c1cccnc1C#N)[NH+](C)C ZINC000428398555 559774773 /nfs/dbraw/zinc/77/47/73/559774773.db2.gz GAHFDQIQZPFKHD-KDOFPFPSSA-N 1 0 358.467 2.231 20 30 FEEDRO COC(=O)[C@]1(c2ccccc2)CC[N@@H+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000428803046 559783702 /nfs/dbraw/zinc/78/37/02/559783702.db2.gz IFPHOSQVGNLLHL-ZLGUVYLKSA-N 1 0 371.481 2.246 20 30 FEEDRO C[C@H](c1ccccc1)[C@H]([NH2+]CCC(=O)Nc1sccc1C#N)C(N)=O ZINC000428856935 559784897 /nfs/dbraw/zinc/78/48/97/559784897.db2.gz PMFCVEKOWICIRL-WBMJQRKESA-N 1 0 356.451 2.196 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccnc(C)c2Br)CC1 ZINC000527337861 562285925 /nfs/dbraw/zinc/28/59/25/562285925.db2.gz VKDXZDJWIRTVFC-UHFFFAOYSA-N 1 0 353.264 2.346 20 30 FEEDRO C=CC[N@@H+](C)CCN(CC)[C@@H]1CCN(c2sccc2C(=O)OC)C1=O ZINC000429727599 559804673 /nfs/dbraw/zinc/80/46/73/559804673.db2.gz VNBCEKPTADDYJV-OAHLLOKOSA-N 1 0 365.499 2.080 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC(O)(C(F)F)CC1)C(C)C ZINC000429943824 559809359 /nfs/dbraw/zinc/80/93/59/559809359.db2.gz KPIMKLSXLWHAJK-OAHLLOKOSA-N 1 0 359.461 2.487 20 30 FEEDRO N#CCC1(CNC(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)CC1 ZINC000430562560 559822830 /nfs/dbraw/zinc/82/28/30/559822830.db2.gz FGGPHDJLOWBJNW-UHFFFAOYSA-N 1 0 356.470 2.136 20 30 FEEDRO COc1ccc(C[N@@H+]2CCCN(C(=O)CN(C)CC(C)(C)C#N)CC2)cc1 ZINC000433294384 559876182 /nfs/dbraw/zinc/87/61/82/559876182.db2.gz LOKFJMYMFZTRGE-UHFFFAOYSA-N 1 0 372.513 2.211 20 30 FEEDRO N#CCCn1cc(C[NH2+]CC(=O)NC2CCCCC2)c(-c2ccncc2)n1 ZINC000433327556 559877073 /nfs/dbraw/zinc/87/70/73/559877073.db2.gz AJVXXBLUZBRVCH-UHFFFAOYSA-N 1 0 366.469 2.397 20 30 FEEDRO C=CCN(C(=O)c1ncn([C@@H]2CCC[NH2+]C2)n1)c1nc2c(s1)CCCC2 ZINC000433395289 559879871 /nfs/dbraw/zinc/87/98/71/559879871.db2.gz QMYXROZGFJCVPZ-CYBMUJFWSA-N 1 0 372.498 2.371 20 30 FEEDRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)Nc1ccc(OC(C)C)c(C#N)c1 ZINC000435498598 559924160 /nfs/dbraw/zinc/92/41/60/559924160.db2.gz YFWMZWZIQWEKSH-AWEZNQCLSA-N 1 0 360.458 2.130 20 30 FEEDRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)Nc1ccc(OC(C)C)c(C#N)c1 ZINC000435498599 559924183 /nfs/dbraw/zinc/92/41/83/559924183.db2.gz YFWMZWZIQWEKSH-CQSZACIVSA-N 1 0 360.458 2.130 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@@H]1CC[N@@H+](CCCOCC)C[C@@H]1C ZINC000437735054 559968742 /nfs/dbraw/zinc/96/87/42/559968742.db2.gz JGHIODUNYDBQSP-MANSERQUSA-N 1 0 367.534 2.404 20 30 FEEDRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)NCC2CCC(C#N)CC2)C1 ZINC000440987880 560020915 /nfs/dbraw/zinc/02/09/15/560020915.db2.gz IJKVUSGPBGDISQ-DAWZGUTISA-N 1 0 350.507 2.459 20 30 FEEDRO C=C(C)CN(CC)C(=O)[C@@H](C)N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000441025187 560022075 /nfs/dbraw/zinc/02/20/75/560022075.db2.gz IBPXVSAJOWTHES-LJQANCHMSA-N 1 0 364.578 2.290 20 30 FEEDRO CCN1C[C@@H](C)N(C(=O)C(=O)Nc2cccc(OCCCC#N)c2)C[C@H]1C ZINC000441106268 560024032 /nfs/dbraw/zinc/02/40/32/560024032.db2.gz QYIJXIXQHRUFLS-HZPDHXFCSA-N 1 0 372.469 2.249 20 30 FEEDRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000441269893 560027648 /nfs/dbraw/zinc/02/76/48/560027648.db2.gz SQBWBTIWZGGXFZ-SQNIBIBYSA-N 1 0 367.453 2.292 20 30 FEEDRO CCN1CC[NH+](C[C@@H](C)CNc2ccc(C(F)(F)F)c(C#N)n2)CC1 ZINC000443515082 560086015 /nfs/dbraw/zinc/08/60/15/560086015.db2.gz BBIYJBDOWPTVLG-ZDUSSCGKSA-N 1 0 355.408 2.658 20 30 FEEDRO CC(C)[C@@H](CC(F)(F)F)[NH2+]CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1 ZINC000445904200 560136656 /nfs/dbraw/zinc/13/66/56/560136656.db2.gz OQMVFGYJTPRWBE-CABCVRRESA-N 1 0 362.440 2.245 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)Cc2cc[nH]c(=O)c2Br)CC1 ZINC000446034413 560138453 /nfs/dbraw/zinc/13/84/53/560138453.db2.gz CPUGWNZJHLMCKQ-UHFFFAOYSA-N 1 0 368.275 2.249 20 30 FEEDRO C=CCNC(=O)Nc1ccc(NC(=O)[C@]2([NH3+])[C@H]3CCCO[C@@H]3C2(C)C)cc1 ZINC000446386981 560145306 /nfs/dbraw/zinc/14/53/06/560145306.db2.gz UPRMPQSUJSFQJT-TWOQFEAHSA-N 1 0 372.469 2.465 20 30 FEEDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)Nc1ccc(C#N)cc1Cl ZINC000448323937 560184514 /nfs/dbraw/zinc/18/45/14/560184514.db2.gz ZVKISBKVQLUTAW-OAHLLOKOSA-N 1 0 362.861 2.387 20 30 FEEDRO COCC[N@H+](C)CCCNC(=O)c1cccc(C#N)c1Br ZINC000448691922 560194629 /nfs/dbraw/zinc/19/46/29/560194629.db2.gz UMBUGFWVWKUZFY-UHFFFAOYSA-N 1 0 354.248 2.019 20 30 FEEDRO CCOC(=O)CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)c1cc(C#N)[nH]c1C ZINC000448794166 560199654 /nfs/dbraw/zinc/19/96/54/560199654.db2.gz BEZLBPFAPYVOIR-INIZCTEOSA-N 1 0 360.458 2.075 20 30 FEEDRO CN(CC[NH+]1CCCC1)C(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 ZINC000448903800 560205737 /nfs/dbraw/zinc/20/57/37/560205737.db2.gz JUUNQTZLPJWHJA-HNNXBMFYSA-N 1 0 374.872 2.119 20 30 FEEDRO C[C@H]1CC[N@H+](C)CCN1C(=O)COc1ccc(C#N)c(Br)c1 ZINC000449854108 560242811 /nfs/dbraw/zinc/24/28/11/560242811.db2.gz FBQHDLPPXLDFRZ-LBPRGKRZSA-N 1 0 366.259 2.252 20 30 FEEDRO CC[N@@H+]1CCCN(C(=O)COc2cccc(Br)c2C#N)CC1 ZINC000449855858 560242931 /nfs/dbraw/zinc/24/29/31/560242931.db2.gz NASIANOCCOEUTB-UHFFFAOYSA-N 1 0 366.259 2.254 20 30 FEEDRO C[NH+](C)C[C@H](O)COc1ccc(NC(=O)[C@@]2(C#N)CC23CCCC3)cc1 ZINC000450134223 560251689 /nfs/dbraw/zinc/25/16/89/560251689.db2.gz OIYCKUNUHYKPAZ-JXFKEZNVSA-N 1 0 357.454 2.400 20 30 FEEDRO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)[C@]2(C#N)C[C@@H]2C)cc1OC ZINC000450278208 560256761 /nfs/dbraw/zinc/25/67/61/560256761.db2.gz UDKBZMIPAAZHED-XOBRGWDASA-N 1 0 372.469 2.255 20 30 FEEDRO C=CCOc1ccc(CC(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)cc1 ZINC000450319485 560258376 /nfs/dbraw/zinc/25/83/76/560258376.db2.gz YWMDMAVZZVYGAZ-WIYYLYMNSA-N 1 0 371.525 2.278 20 30 FEEDRO COc1ccc([C@@H](C[NH+]2CCCC2)NC(=O)c2ccc(C#N)n2C)cc1 ZINC000450523837 560265115 /nfs/dbraw/zinc/26/51/15/560265115.db2.gz KEFPISDCXJBIAZ-GOSISDBHSA-N 1 0 352.438 2.472 20 30 FEEDRO CO[C@H]1COCC[C@@H]1CC(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000450673846 560269942 /nfs/dbraw/zinc/26/99/42/560269942.db2.gz QWIKFZMZYDSCIU-MOPGFXCFSA-N 1 0 371.481 2.103 20 30 FEEDRO C=CCOc1ccc(CC(=O)NC(C)(C)CC[NH+]2CCN(C)CC2)cc1 ZINC000450957123 560279856 /nfs/dbraw/zinc/27/98/56/560279856.db2.gz JRVJPMFABLHSAY-UHFFFAOYSA-N 1 0 359.514 2.326 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]CC(=O)NCCOc1cccc(C(F)(F)F)c1 ZINC000451601608 560316839 /nfs/dbraw/zinc/31/68/39/560316839.db2.gz BEVSPIORWYGLQK-CABCVRRESA-N 1 0 358.360 2.134 20 30 FEEDRO CCN(C[C@H](C)C#N)C(=O)CN1CC[N@H+](Cc2ccccc2)C[C@H](C)C1 ZINC000451703122 560323300 /nfs/dbraw/zinc/32/33/00/560323300.db2.gz DOCRMHOTMOEOHG-MOPGFXCFSA-N 1 0 356.514 2.448 20 30 FEEDRO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000451903652 560336219 /nfs/dbraw/zinc/33/62/19/560336219.db2.gz JNULCSXGTASVIP-BFYDXBDKSA-N 1 0 359.388 2.400 20 30 FEEDRO C=CCn1c([C@@H](C)OCCOC)nnc1N1CC[NH+]([C@@H](C)CC)CC1 ZINC000453430568 560386573 /nfs/dbraw/zinc/38/65/73/560386573.db2.gz DKDUXLVAHGYILU-JKSUJKDBSA-N 1 0 351.495 2.109 20 30 FEEDRO N#CCc1ccc(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)c(Cl)c1 ZINC000453573773 560389204 /nfs/dbraw/zinc/38/92/04/560389204.db2.gz HRBIOKAFXPWFQI-JKSUJKDBSA-N 1 0 360.845 2.088 20 30 FEEDRO C[C@H]1CCC[C@@](CNC(=O)C(=O)Nc2cccc(CC#N)c2)([NH+](C)C)C1 ZINC000453600446 560390597 /nfs/dbraw/zinc/39/05/97/560390597.db2.gz FGDHTXIDRWBNJT-MGPUTAFESA-N 1 0 356.470 2.318 20 30 FEEDRO Cc1nc(NC(=O)C(=O)NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)ccc1C#N ZINC000453608209 560391032 /nfs/dbraw/zinc/39/10/32/560391032.db2.gz OTDGDCMHFPCLQO-GJZGRUSLSA-N 1 0 371.485 2.075 20 30 FEEDRO CC(C)C[C@H](C[NH+](C)C)NC(=O)C(=O)Nc1ccc(CC#N)cc1Cl ZINC000453627960 560391976 /nfs/dbraw/zinc/39/19/76/560391976.db2.gz WLSXYTFDJPCMJH-CQSZACIVSA-N 1 0 364.877 2.437 20 30 FEEDRO Cc1cc(C#N)cc(NC(=O)C(=O)N(C)CCC[N@H+](C)Cc2ccco2)c1 ZINC000453757953 560402190 /nfs/dbraw/zinc/40/21/90/560402190.db2.gz REXQVELLMOCQCQ-UHFFFAOYSA-N 1 0 368.437 2.379 20 30 FEEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000454570204 560450001 /nfs/dbraw/zinc/45/00/01/560450001.db2.gz DLOLSTGEFLSAII-INIZCTEOSA-N 1 0 360.458 2.314 20 30 FEEDRO C=C(CC)CNC(=O)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000455518395 560485398 /nfs/dbraw/zinc/48/53/98/560485398.db2.gz GLUCZPOGFZMSHH-GOSISDBHSA-N 1 0 358.486 2.149 20 30 FEEDRO N#CCc1ccc(NC(=O)NC[C@@H](O)C[NH+]2CCCCC2)c(Cl)c1 ZINC000455712544 560492667 /nfs/dbraw/zinc/49/26/67/560492667.db2.gz ZWRUFSLTSSSSIE-CQSZACIVSA-N 1 0 350.850 2.374 20 30 FEEDRO CC[C@H]1CN(C(=O)Nc2cnc(C#N)c(Cl)c2)CC[N@@H+]1CCOC ZINC000455777964 560494574 /nfs/dbraw/zinc/49/45/74/560494574.db2.gz GEHCMXBFUMKMQN-ZDUSSCGKSA-N 1 0 351.838 2.181 20 30 FEEDRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)CNC(=O)c3ccc(C#N)cc3)ccc21 ZINC000456281380 560514034 /nfs/dbraw/zinc/51/40/34/560514034.db2.gz REFJQOZSNZGGET-LJQANCHMSA-N 1 0 362.433 2.476 20 30 FEEDRO C=CCC[C@H](CO)NC(=O)NC[C@@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC000457488159 560570132 /nfs/dbraw/zinc/57/01/32/560570132.db2.gz QGFGAUPIEUREGJ-MJGOQNOKSA-N 1 0 361.486 2.458 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1[C@@H]2CC[C@H]1CN(C)C(=O)C2)C(C)C ZINC000457736990 560584983 /nfs/dbraw/zinc/58/49/83/560584983.db2.gz DMFGSKNSHNEYCW-SQNIBIBYSA-N 1 0 362.518 2.090 20 30 FEEDRO C=CC(C)(C)CNC(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000458521834 560629720 /nfs/dbraw/zinc/62/97/20/560629720.db2.gz RXHNWGOEEKLTRU-UHFFFAOYSA-N 1 0 352.523 2.125 20 30 FEEDRO C=CCC[C@@H](CO)NC(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000458748788 560645777 /nfs/dbraw/zinc/64/57/77/560645777.db2.gz CICPOCRFHIUOJV-KRWDZBQOSA-N 1 0 361.486 2.286 20 30 FEEDRO C[NH+](C)CCN(Cc1ccccn1)C(=O)NCc1ccc(C#N)c(F)c1 ZINC000459132702 560668996 /nfs/dbraw/zinc/66/89/96/560668996.db2.gz XJSZPDIDVUSYDD-UHFFFAOYSA-N 1 0 355.417 2.366 20 30 FEEDRO C[C@@H](CN(C)CCS(=O)(=O)c1cccc(C#N)c1)C(=O)OC(C)(C)C ZINC000459810791 560710023 /nfs/dbraw/zinc/71/00/23/560710023.db2.gz QILHEKMOCRKQDL-AWEZNQCLSA-N 1 0 366.483 2.242 20 30 FEEDRO C=C(C)CN(CC)C(=O)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000459821142 560710818 /nfs/dbraw/zinc/71/08/18/560710818.db2.gz KKOJUODXGPCHAK-PMACEKPBSA-N 1 0 369.509 2.392 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)C(=O)N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000459863231 560714493 /nfs/dbraw/zinc/71/44/93/560714493.db2.gz FNPUWNQWIZNDQU-INIZCTEOSA-N 1 0 363.527 2.453 20 30 FEEDRO CC(C)CCN(CCC#N)C(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000462017828 560792948 /nfs/dbraw/zinc/79/29/48/560792948.db2.gz YAXVIMTXXJLNFY-UHFFFAOYSA-N 1 0 357.502 2.382 20 30 FEEDRO COc1c[nH+]ccc1N1CCN(C(=O)[C@H](C)c2cccc(C#N)c2)CC1 ZINC000462338901 560806702 /nfs/dbraw/zinc/80/67/02/560806702.db2.gz GOBOURBKXKSBDB-OAHLLOKOSA-N 1 0 350.422 2.414 20 30 FEEDRO CC[N@H+](CCC1CCN(S(=O)(=O)CC2(C#N)CC2)CC1)CC1CC1 ZINC000463878751 560827662 /nfs/dbraw/zinc/82/76/62/560827662.db2.gz NRQVORSJZVNUNF-UHFFFAOYSA-N 1 0 353.532 2.454 20 30 FEEDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2c(F)cc(C#N)cc2F)C[C@@H]1C ZINC000467155404 560905175 /nfs/dbraw/zinc/90/51/75/560905175.db2.gz OIGPZRUKMXWBAX-AAEUAGOBSA-N 1 0 357.426 2.330 20 30 FEEDRO Cc1nn(C)c(N2CC[NH+](CCCCC(=O)OC(C)(C)C)CC2)c1C#N ZINC000472157438 561019761 /nfs/dbraw/zinc/01/97/61/561019761.db2.gz GYSIBZWVHYXSIT-UHFFFAOYSA-N 1 0 361.490 2.234 20 30 FEEDRO C=CC[N@@H+](CCn1cc([N+](=O)[O-])cn1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000472244781 561021714 /nfs/dbraw/zinc/02/17/14/561021714.db2.gz XXMAKWHPBGEKJI-CQSZACIVSA-N 1 0 368.401 2.016 20 30 FEEDRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)NCc2cc(C#N)ccc2F)C1 ZINC000473027103 561040528 /nfs/dbraw/zinc/04/05/28/561040528.db2.gz XHTOUOTYNSZYOD-QGZVFWFLSA-N 1 0 362.449 2.340 20 30 FEEDRO O=C(Nc1ccccc1C#Cc1ccccc1)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000473338361 561047780 /nfs/dbraw/zinc/04/77/80/561047780.db2.gz XWPWQPBZMMRTAR-LJQANCHMSA-N 1 0 373.456 2.378 20 30 FEEDRO COc1ccc([C@H](CNC(=O)c2cnn(C)c2C#N)[NH+]2CCCCC2)cc1 ZINC000474201661 561068211 /nfs/dbraw/zinc/06/82/11/561068211.db2.gz XUEQDCGXMMITII-IBGZPJMESA-N 1 0 367.453 2.257 20 30 FEEDRO Cn1ncc(C(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)c1C#N ZINC000475385800 561096016 /nfs/dbraw/zinc/09/60/16/561096016.db2.gz CBLMFLZANIYMTN-UHFFFAOYSA-N 1 0 355.467 2.135 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)NC1CCC(C(N)=O)CC1)C(C)C ZINC000476023085 561109641 /nfs/dbraw/zinc/10/96/41/561109641.db2.gz GNOKBDFBACWVEE-OFLPRAFFSA-N 1 0 350.507 2.028 20 30 FEEDRO C[C@@H]1C[C@H](N(C)C(=O)c2cnn(C)c2C#N)CC[N@@H+]1Cc1ccccc1 ZINC000476083184 561111078 /nfs/dbraw/zinc/11/10/78/561111078.db2.gz BEFROPUIJSXZGJ-NVXWUHKLSA-N 1 0 351.454 2.417 20 30 FEEDRO C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)c3cnn(C)c3C#N)cc2)C1 ZINC000476125635 561111602 /nfs/dbraw/zinc/11/16/02/561111602.db2.gz ALTQZEARWHDVKQ-CQSZACIVSA-N 1 0 353.426 2.265 20 30 FEEDRO CC(C)[C@H]1C[NH2+]CCN1S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000528049518 562312564 /nfs/dbraw/zinc/31/25/64/562312564.db2.gz QAXAKOXITVYGGH-CQSZACIVSA-N 1 0 361.389 2.196 20 30 FEEDRO N#Cc1ccccc1OC[C@@H](O)C[NH+]1CCC(C(=O)N2CCCCC2)CC1 ZINC000528346120 562323811 /nfs/dbraw/zinc/32/38/11/562323811.db2.gz PENWZIRNKUKYBW-IBGZPJMESA-N 1 0 371.481 2.022 20 30 FEEDRO CC(C)[C@H](C)NC(=O)C1CC[NH+](C[C@H](O)COc2ccccc2C#N)CC1 ZINC000528368847 562325232 /nfs/dbraw/zinc/32/52/32/562325232.db2.gz WODFLQCGJJVQFU-LPHOPBHVSA-N 1 0 373.497 2.171 20 30 FEEDRO CC(C)(C)C(=O)NC[C@H]1CCC[N@H+](C[C@H](O)COc2ccccc2C#N)C1 ZINC000528380967 562325889 /nfs/dbraw/zinc/32/58/89/562325889.db2.gz LBWKBAFRWZRFKL-AEFFLSMTSA-N 1 0 373.497 2.172 20 30 FEEDRO N#Cc1ccccc1OC[C@H](O)C[NH+]1CCC(CN2CCCCC2=O)CC1 ZINC000528417472 562328107 /nfs/dbraw/zinc/32/81/07/562328107.db2.gz QGGFSNFEFVKVDH-LJQANCHMSA-N 1 0 371.481 2.022 20 30 FEEDRO CN1CC[C@@H]([NH2+]CC#CCN2C(=O)c3ccccc3C2=O)[C@@H]1c1ccccc1 ZINC000528495710 562332301 /nfs/dbraw/zinc/33/23/01/562332301.db2.gz ZPMZRGOCRRDNSZ-RTWAWAEBSA-N 1 0 373.456 2.321 20 30 FEEDRO N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCCN2c3ccccc3C[C@H]2C1 ZINC000528504228 562332975 /nfs/dbraw/zinc/33/29/75/562332975.db2.gz NCUILZPTGQOMJW-VQTJNVASSA-N 1 0 363.461 2.435 20 30 FEEDRO C[C@@H]1CN(CC#CCN2C(=O)c3ccccc3C2=O)CC[N@@H+](C2CCC2)C1 ZINC000528513019 562333433 /nfs/dbraw/zinc/33/34/33/562333433.db2.gz PZMMKZKEFQBANT-QGZVFWFLSA-N 1 0 365.477 2.092 20 30 FEEDRO Cn1cc([C@H]2C[N@H+](C[C@H](O)COc3ccccc3C#N)CC2(C)C)cn1 ZINC000528513686 562333445 /nfs/dbraw/zinc/33/34/45/562333445.db2.gz FJMBTOLGZPESMH-ZWKOTPCHSA-N 1 0 354.454 2.157 20 30 FEEDRO O=C1c2ccccc2C(=O)N1CC#CC[NH+]1CCC2(CCC(O)CC2)CC1 ZINC000528514092 562333504 /nfs/dbraw/zinc/33/35/04/562333504.db2.gz CMDRQMCDAKMSRZ-UHFFFAOYSA-N 1 0 366.461 2.303 20 30 FEEDRO C[N@H+](C[C@@H](O)COc1ccccc1C#N)C1CCN(CC(F)(F)F)CC1 ZINC000528518008 562333565 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20 30 FEEDRO CC(C)(O)C[N@H+](CC(=O)N(CCC#N)c1ccccc1)C1CCOCC1 ZINC000531416004 562445163 /nfs/dbraw/zinc/44/51/63/562445163.db2.gz AVLNQACWXUHEQR-UHFFFAOYSA-N 1 0 359.470 2.185 20 30 FEEDRO CC(C)[NH+]1CCN([C@@H]2CCN(c3c(C#N)nnc4ccccc43)C2)CC1 ZINC000532093085 562466770 /nfs/dbraw/zinc/46/67/70/562466770.db2.gz PQBWCYNOFQRPSG-MRXNPFEDSA-N 1 0 350.470 2.106 20 30 FEEDRO CCN(CC)C(=O)C1([NH2+]CC(=O)N(CC)C[C@@H](C)C#N)CCCCC1 ZINC000532707313 562486292 /nfs/dbraw/zinc/48/62/92/562486292.db2.gz VUBYZQYXIYFRDW-INIZCTEOSA-N 1 0 350.507 2.155 20 30 FEEDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNS(=O)(=O)c1ccc(C#N)cc1F ZINC000533038952 562496478 /nfs/dbraw/zinc/49/64/78/562496478.db2.gz WJGAJSLFPBMYKE-OAHLLOKOSA-N 1 0 353.463 2.486 20 30 FEEDRO CN(C)C(=O)Nc1ccc(C(=O)NC2(C#N)CC[NH+](C)CC2)c(Cl)c1 ZINC000533269828 562503245 /nfs/dbraw/zinc/50/32/45/562503245.db2.gz GTUXEIKTEHOWNK-UHFFFAOYSA-N 1 0 363.849 2.151 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)CCC(=O)c2cccc(F)c2)c1C#N ZINC000534331784 562531891 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CC(C)c1n[nH]c(CC2CC[NH+]([C@@H](C)C(=O)NC3(C#N)CCC3)CC2)n1 ZINC000602866889 568008426 /nfs/dbraw/zinc/00/84/26/568008426.db2.gz TYBBHTHPXDMPDF-AWEZNQCLSA-N 1 0 358.490 2.134 20 30 FEEDRO C[C@@H]1CN(CC(=O)Nc2ccc(OC(F)F)cc2)C[C@H](C)N1CC#N ZINC000602861129 568049541 /nfs/dbraw/zinc/04/95/41/568049541.db2.gz KQAUZQUUQFEOKF-BETUJISGSA-N 1 0 352.385 2.145 20 30 FEEDRO C[NH2+]C(C)(C)c1cn(CC(=O)N(CCC#N)c2cccc(Cl)c2)nn1 ZINC000603177278 568068199 /nfs/dbraw/zinc/06/81/99/568068199.db2.gz OYBQZYFOEZNUPM-UHFFFAOYSA-N 1 0 360.849 2.333 20 30 FEEDRO C=CCNS(=O)(=O)c1ccccc1NCC1(SC)CC[NH+](C)CC1 ZINC000603384153 568094421 /nfs/dbraw/zinc/09/44/21/568094421.db2.gz ZLVANHLTIFLZSW-UHFFFAOYSA-N 1 0 369.556 2.390 20 30 FEEDRO COc1c(C)cnc(C[NH+]2CCC(N(C)c3ccnc(C#N)n3)CC2)c1C ZINC000569258351 568321104 /nfs/dbraw/zinc/32/11/04/568321104.db2.gz COMZSMAYRLJMGB-UHFFFAOYSA-N 1 0 366.469 2.470 20 30 FEEDRO N#Cc1ccncc1N1CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000569394468 568400526 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30 FEEDRO C[NH+]1CCC(C[NH2+][C@@H](C(=O)[O-])c2ccc(C#N)cc2)(N2CCCCC2)CC1 ZINC000830923257 600756037 /nfs/dbraw/zinc/75/60/37/600756037.db2.gz DDDVCBDIHYFSCZ-LJQANCHMSA-N 1 0 370.497 2.224 20 30 FEEDRO C#Cc1ccc(CNc2cccc(S(=O)(=O)NCC[NH+](C)C)c2)cc1 ZINC000809685044 674504920 /nfs/dbraw/zinc/50/49/20/674504920.db2.gz XOYADNZTBLCDIQ-UHFFFAOYSA-N 1 0 357.479 2.120 20 30 FEEDRO C#CCC[NH+]1CCN(c2c(-c3nn[nH]n3)cnc3ccc(Cl)cc32)CC1 ZINC000823845009 608377021 /nfs/dbraw/zinc/37/70/21/608377021.db2.gz MZPHBUQQEQXXFD-UHFFFAOYSA-N 1 0 367.844 2.214 20 30 FEEDRO COc1cc(C#N)ccc1OCC[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000826176929 608492949 /nfs/dbraw/zinc/49/29/49/608492949.db2.gz KGUOTOIYGCUWEN-ZDUSSCGKSA-N 1 0 364.409 2.477 20 30 FEEDRO CC[C@@H](O)CN[NH+]=Cc1sc(N2CCOCC2)nc1-c1ccccc1 ZINC000811652885 674618846 /nfs/dbraw/zinc/61/88/46/674618846.db2.gz AQHYSKWWCPDQGY-OAHLLOKOSA-N 1 0 360.483 2.341 20 30 FEEDRO CC(=O)N1CCC[N@H+](C[C@@H]2CCCN(c3snc(C)c3C#N)C2)CC1 ZINC000562701905 674789903 /nfs/dbraw/zinc/78/99/03/674789903.db2.gz IWPYQAPMDMBQNB-INIZCTEOSA-N 1 0 361.515 2.094 20 30 FEEDRO N#Cc1ccc(N2CCC[C@H](N3CCO[C@@]4(CCSC4)C3)C2=O)cc1 ZINC000563067750 674843114 /nfs/dbraw/zinc/84/31/14/674843114.db2.gz IXURAMRCWYAIOZ-HKUYNNGSSA-N 1 0 357.479 2.262 20 30 FEEDRO CC(=NN=C1NS(=O)(=O)c2ccccc21)c1ccc(C[NH+](C)C)cc1 ZINC000814799003 674880370 /nfs/dbraw/zinc/88/03/70/674880370.db2.gz RSNBFZXKFDSXIY-UHFFFAOYSA-N 1 0 356.451 2.211 20 30 FEEDRO C#CC[N@H+](C)CCCNS(=O)(=O)c1sc(C)cc1Br ZINC000815082454 674914097 /nfs/dbraw/zinc/91/40/97/674914097.db2.gz RRYVACNXYHWWAH-UHFFFAOYSA-N 1 0 365.318 2.052 20 30 FEEDRO C#CC[N@@H+](C)CCCNS(=O)(=O)c1cc(C(C)C)c(OC)cc1C ZINC000815083020 674914485 /nfs/dbraw/zinc/91/44/85/674914485.db2.gz LGWPEZSGFOESNB-UHFFFAOYSA-N 1 0 352.500 2.360 20 30 FEEDRO C=CCC(F)(F)C(=O)Nc1ccc(OCCN2CC[NH+](C)CC2)cc1 ZINC000815721590 674968121 /nfs/dbraw/zinc/96/81/21/674968121.db2.gz QCEZNAMXZGNTTD-UHFFFAOYSA-N 1 0 353.413 2.463 20 30 FEEDRO N#CCCC[C@H]([NH3+])C(=O)Nc1cc(-c2ccc(Br)s2)[nH]n1 ZINC000564207496 674984020 /nfs/dbraw/zinc/98/40/20/674984020.db2.gz DFWZFDNMKDTCCT-QMMMGPOBSA-N 1 0 368.260 2.860 20 30 FEEDRO CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CCN1c1snc(Cl)c1C#N ZINC001048705925 675013361 /nfs/dbraw/zinc/01/33/61/675013361.db2.gz AKTBCLWBZOJQOE-QWHCGFSZSA-N 1 0 367.906 2.237 20 30 FEEDRO O=C(C#CC1CC[NH2+]CC1)Nc1ccc(I)cc1F ZINC000852903697 682355385 /nfs/dbraw/zinc/35/53/85/682355385.db2.gz HJBGRPPRBWSMTJ-UHFFFAOYSA-N 1 0 372.181 2.372 20 30 FEEDRO Cc1ccc(Cl)cc1N1CC[C@@H](C[NH2+]C[C@H](O)CN(C)CCC#N)C1 ZINC000565475834 675125105 /nfs/dbraw/zinc/12/51/05/675125105.db2.gz GGUWYIZGRUCOLY-WMZOPIPTSA-N 1 0 364.921 2.271 20 30 FEEDRO N#Cc1ccc(C[NH2+]CC2CCN(S(=O)(=O)C(F)F)CC2)cc1F ZINC000817407095 675130067 /nfs/dbraw/zinc/13/00/67/675130067.db2.gz CQSNRURMUJAGIQ-UHFFFAOYSA-N 1 0 361.389 2.051 20 30 FEEDRO CC(C)c1cccc(/N=C2\NC(=O)C(CC(=O)NCC[NH+](C)C)S2)c1 ZINC000106898584 670815779 /nfs/dbraw/zinc/81/57/79/670815779.db2.gz UCVTZNCUJLMXQE-OAHLLOKOSA-N 1 0 362.499 2.097 20 30 FEEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)S(=O)(=O)CCC(C)(C)C#N ZINC000571961779 670945027 /nfs/dbraw/zinc/94/50/27/670945027.db2.gz ZRSFVVMHOCQUAW-UHFFFAOYSA-N 1 0 362.499 2.192 20 30 FEEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+]CCC[C@H]2CCCC[C@@H]2O)c1 ZINC000574323751 671226633 /nfs/dbraw/zinc/22/66/33/671226633.db2.gz ILSITTWIWYURGM-AEFFLSMTSA-N 1 0 350.484 2.253 20 30 FEEDRO COc1cc(Br)ccc1[C@@H](C)[NH2+]C[C@@H](O)CN(C)CCC#N ZINC000566124974 675183749 /nfs/dbraw/zinc/18/37/49/675183749.db2.gz MCSOLCRJZGKAGN-TZMCWYRMSA-N 1 0 370.291 2.315 20 30 FEEDRO C=CCN1C(=S)N=NC1c1sc(NC(=O)[C@@H]([NH3+])C2CCC2)nc1C ZINC000817912303 675186047 /nfs/dbraw/zinc/18/60/47/675186047.db2.gz ORRYBHCCCMHRNH-JTQLQIEISA-N 1 0 364.500 2.251 20 30 FEEDRO Cc1nc(C[NH2+]C[C@H]2CNc3c(C#N)cnn3C2)sc1Br ZINC000576346656 671362601 /nfs/dbraw/zinc/36/26/01/671362601.db2.gz SYAIRRLPYPBGNP-VIFPVBQESA-N 1 0 367.276 2.114 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2CCC(C[NH+]3CCCCCC3)CC2)cn1 ZINC000608780786 675903279 /nfs/dbraw/zinc/90/32/79/675903279.db2.gz YIXUTHPYGFCYTA-UHFFFAOYSA-N 1 0 362.499 2.230 20 30 FEEDRO CN(CCS(=O)(=O)c1ccc(C#N)cn1)[C@@H]1CCc2ccccc2C1 ZINC000579520905 671741857 /nfs/dbraw/zinc/74/18/57/671741857.db2.gz OQFNBSYQFLOLNA-GOSISDBHSA-N 1 0 355.463 2.216 20 30 FEEDRO Cn1ccnc1[C@@H](CC(=O)N(CCC#N)CCC[NH+](C)C)C(F)(F)F ZINC000579729835 671756790 /nfs/dbraw/zinc/75/67/90/671756790.db2.gz OFKZLXMOTCHJDT-CYBMUJFWSA-N 1 0 359.396 2.150 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)NC[C@@H](O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000118518891 671886245 /nfs/dbraw/zinc/88/62/45/671886245.db2.gz UKLRRKAJNDNPMU-MRXNPFEDSA-N 1 0 355.265 2.488 20 30 FEEDRO C#CCSCCNC(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 ZINC000129602497 672064855 /nfs/dbraw/zinc/06/48/55/672064855.db2.gz KHJDXBZEIZSHED-CVEARBPZSA-N 1 0 353.438 2.376 20 30 FEEDRO C=CCN1C(=S)N=NC1c1sc(NC(=O)[C@@H]2CCC[C@@H]2[NH3+])nc1C ZINC000150896120 672153869 /nfs/dbraw/zinc/15/38/69/672153869.db2.gz MCEUNZORTYGIMF-ZJUUUORDSA-N 1 0 364.500 2.251 20 30 FEEDRO C[NH+]=C(NCCN1C(=O)Cc2ccccc21)N1CCS[C@H](C(C)C)C1 ZINC000153780978 672204565 /nfs/dbraw/zinc/20/45/65/672204565.db2.gz IUDJELSYPSAFNZ-KRWDZBQOSA-N 1 0 360.527 2.225 20 30 FEEDRO CC1(C)CN(C(NCCc2ccco2)=[NH+]C2CCCC2)CCS1(=O)=O ZINC000154489196 672217443 /nfs/dbraw/zinc/21/74/43/672217443.db2.gz XJBPCFUSXVUFLO-UHFFFAOYSA-N 1 0 367.515 2.219 20 30 FEEDRO CC[NH+]=C(NC[C@](C)(O)c1cccs1)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000155619527 672236242 /nfs/dbraw/zinc/23/62/42/672236242.db2.gz GDZGISFYPHPUBG-DNMXQMFDSA-N 1 0 363.527 2.468 20 30 FEEDRO CCO[C@H](CC[NH+](C)C)CNC(=O)Nc1ccc(F)cc1OCC#N ZINC000156753622 672250437 /nfs/dbraw/zinc/25/04/37/672250437.db2.gz QRARLTFSFQUOSE-CQSZACIVSA-N 1 0 352.410 2.206 20 30 FEEDRO C#CCOc1ccc(Br)cc1C[NH2+]C[C@@](C)(O)CCOC ZINC000172069181 672339006 /nfs/dbraw/zinc/33/90/06/672339006.db2.gz BSKQDOAFICPTNK-INIZCTEOSA-N 1 0 356.260 2.338 20 30 FEEDRO C#CC[N@@H+](CCC(=O)NC(=O)NCC(F)(F)F)Cc1ccc(F)cc1 ZINC000177025749 672379234 /nfs/dbraw/zinc/37/92/34/672379234.db2.gz IDALQVQSWBBFEW-UHFFFAOYSA-N 1 0 359.323 2.039 20 30 FEEDRO C[NH+]=C(NCCc1ccc(Cl)s1)N1CCN(C[C@H]2CCOC2)CC1 ZINC000179070467 672398558 /nfs/dbraw/zinc/39/85/58/672398558.db2.gz FQIFRWYZLXCRLU-CQSZACIVSA-N 1 0 370.950 2.174 20 30 FEEDRO C=CCNc1nnc(SC[C@@H](O)C[N@@H+](C)Cc2ccccc2)s1 ZINC000588690326 672472854 /nfs/dbraw/zinc/47/28/54/672472854.db2.gz WMICMSHTAKAQDA-AWEZNQCLSA-N 1 0 350.513 2.721 20 30 FEEDRO C[C@@H]1CCCC[C@H]1[NH+]=C(NCC(=O)N(C)C)NCc1ccc(Cl)cn1 ZINC000185365122 672526687 /nfs/dbraw/zinc/52/66/87/672526687.db2.gz ZEJVCWWLQYDFSY-CZUORRHYSA-N 1 0 365.909 2.437 20 30 FEEDRO CN(CCCC[NH+](C)C)C(=O)COc1ccc(C#N)c(Br)c1 ZINC000590671022 672600067 /nfs/dbraw/zinc/60/00/67/672600067.db2.gz SMHXMGBBLUSARY-UHFFFAOYSA-N 1 0 368.275 2.500 20 30 FEEDRO N#Cc1cc(Cl)c(C(=O)NC[C@@H]2CCC[N@H+]2CCCO)c(Cl)c1 ZINC000590774137 672615962 /nfs/dbraw/zinc/61/59/62/672615962.db2.gz WHFNZARAEAIGML-LBPRGKRZSA-N 1 0 356.253 2.442 20 30 FEEDRO COc1ccc(NC(=O)CC[NH+]2CCN(CCC#N)CC2)cc1Cl ZINC000591020541 672642009 /nfs/dbraw/zinc/64/20/09/672642009.db2.gz LYZYRZWCYMOQQX-UHFFFAOYSA-N 1 0 350.850 2.208 20 30 FEEDRO COc1cccc([C@@H]2C[C@H]2[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)c1 ZINC000591769826 672709787 /nfs/dbraw/zinc/70/97/87/672709787.db2.gz KJNWAAUCRSZBGU-RBUKOAKNSA-N 1 0 356.447 2.486 20 30 FEEDRO N#Cc1cnn2c1NC[C@H](C[N@H+]1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1)C2 ZINC000592505077 672809464 /nfs/dbraw/zinc/80/94/64/672809464.db2.gz RHUKDSLXUSQTBJ-IEBDPFPHSA-N 1 0 367.297 2.469 20 30 FEEDRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CON=Cc2ccc(Cl)cc2)C1 ZINC000254942781 672881113 /nfs/dbraw/zinc/88/11/13/672881113.db2.gz SFBQVHWUAUBMRR-KRWDZBQOSA-N 1 0 367.877 2.164 20 30 FEEDRO C#CCNC(N[C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1)=[NH+]C ZINC000261703223 672901700 /nfs/dbraw/zinc/90/17/00/672901700.db2.gz GJRHKDACWIJNDH-LLVKDONJSA-N 1 0 359.783 2.131 20 30 FEEDRO C[NH+]=C(NC[C@]1(C)CCCC[C@@H]1O)N1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000261723968 672902060 /nfs/dbraw/zinc/90/20/60/672902060.db2.gz LABSKJIWXBCNDF-DOXZYTNZSA-N 1 0 353.507 2.167 20 30 FEEDRO C[NH+]=C(NCCn1ccnc1C)N[C@H]1CCN(c2cccc(Cl)c2)C1 ZINC000261814466 672903617 /nfs/dbraw/zinc/90/36/17/672903617.db2.gz SZXHPGSEYZMEPJ-INIZCTEOSA-N 1 0 360.893 2.289 20 30 FEEDRO Cc1nnc(CNC(NC[C@@]2(C)CCCS2)=[NH+]C2CCCC2)n1C ZINC000261972169 672906503 /nfs/dbraw/zinc/90/65/03/672906503.db2.gz NCJJJKBACSTGOQ-QGZVFWFLSA-N 1 0 350.536 2.387 20 30 FEEDRO C[NH+]=C(NCC(C)(C)c1cccc(F)c1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261997613 672907345 /nfs/dbraw/zinc/90/73/45/672907345.db2.gz SVFBRFOBJYSBPH-UHFFFAOYSA-N 1 0 369.506 2.188 20 30 FEEDRO CC[C@H]1CN(C(NCc2nnc(C)n2C)=[NH+]C2CCCC2)CCS1 ZINC000262019888 672907751 /nfs/dbraw/zinc/90/77/51/672907751.db2.gz YNICOCVKNJBBHH-HNNXBMFYSA-N 1 0 350.536 2.339 20 30 FEEDRO [NH2+]=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)NCC1CCC1 ZINC000262021152 672907828 /nfs/dbraw/zinc/90/78/28/672907828.db2.gz XWEDNDBLCWJGBZ-UHFFFAOYSA-N 1 0 364.515 2.066 20 30 FEEDRO CC[C@@H]1CN(C(NCc2nnc(C)n2C)=[NH+]C2CCCC2)CCS1 ZINC000262019891 672908044 /nfs/dbraw/zinc/90/80/44/672908044.db2.gz YNICOCVKNJBBHH-OAHLLOKOSA-N 1 0 350.536 2.339 20 30 FEEDRO [NH2+]=C(NC[C@@H]1CCCCS1(=O)=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000262162439 672909666 /nfs/dbraw/zinc/90/96/66/672909666.db2.gz BEJIVZXKKRFTOQ-LBPRGKRZSA-N 1 0 365.377 2.279 20 30 FEEDRO CC[C@]1(C)CCN(C(NC[C@@H]2CCS(=O)(=O)C2)=[NH+]C2CCCC2)C1 ZINC000262436888 672915463 /nfs/dbraw/zinc/91/54/63/672915463.db2.gz TZMGYKGUCCANJD-MAUKXSAKSA-N 1 0 355.548 2.431 20 30 FEEDRO CC[C@]1(C)CCN(C(NC[C@H]2CCS(=O)(=O)C2)=[NH+]C2CCCC2)C1 ZINC000262436885 672915587 /nfs/dbraw/zinc/91/55/87/672915587.db2.gz TZMGYKGUCCANJD-CRAIPNDOSA-N 1 0 355.548 2.431 20 30 FEEDRO CCc1nc(CN2CCC(CNC(=[NH2+])N3CCSCC3)CC2)cs1 ZINC000262539398 672917427 /nfs/dbraw/zinc/91/74/27/672917427.db2.gz RFESMADGTUMTBB-UHFFFAOYSA-N 1 0 367.588 2.281 20 30 FEEDRO [NH2+]=C(NC[C@@H]1CCCCN1Cc1cccc(Cl)c1)N1CCOCC1 ZINC000262551906 672917936 /nfs/dbraw/zinc/91/79/36/672917936.db2.gz YQLJICQBPWJLPK-KRWDZBQOSA-N 1 0 350.894 2.341 20 30 FEEDRO COc1ccc(NC(=[NH2+])NCCC2CCS(=O)(=O)CC2)cc1Cl ZINC000262678648 672919043 /nfs/dbraw/zinc/91/90/43/672919043.db2.gz UYPFMFMIKDGOTD-UHFFFAOYSA-N 1 0 359.879 2.290 20 30 FEEDRO C[NH+]=C(NCC1(O)CCC1)N[C@H]1CCN(c2cc(Cl)ccc2OC)C1 ZINC000262806537 672921505 /nfs/dbraw/zinc/92/15/05/672921505.db2.gz SYLOCQNIOYCOQO-AWEZNQCLSA-N 1 0 366.893 2.007 20 30 FEEDRO CN(C)C(NC[C@@H]1CS(=O)(=O)c2ccccc21)=[NH+]Cc1ccccc1 ZINC000263145358 672928651 /nfs/dbraw/zinc/92/86/51/672928651.db2.gz OTHBTDQVZCMTIN-MRXNPFEDSA-N 1 0 357.479 2.265 20 30 FEEDRO C=CCOc1c(Br)cc(C[NH2+]C[C@](C)(O)CO)cc1OCC ZINC000684539320 672939821 /nfs/dbraw/zinc/93/98/21/672939821.db2.gz XPVRYWJPLTVMME-INIZCTEOSA-N 1 0 374.275 2.246 20 30 FEEDRO N#Cc1sccc1S(=O)(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000593565840 672945016 /nfs/dbraw/zinc/94/50/16/672945016.db2.gz AEGKELUHWHHBCO-TZMCWYRMSA-N 1 0 351.497 2.257 20 30 FEEDRO [NH2+]=C(NCCC(=O)Nc1ccc(Br)cc1)NCC1CCC1 ZINC000303877542 673017833 /nfs/dbraw/zinc/01/78/33/673017833.db2.gz IPTQSIPVSDPYEV-UHFFFAOYSA-N 1 0 353.264 2.482 20 30 FEEDRO CNS(=O)(=O)c1cccc(CNC(=[NH2+])N[C@H](C)CCCC(C)C)c1 ZINC000303890245 673018390 /nfs/dbraw/zinc/01/83/90/673018390.db2.gz MMKMMPSHWRZQOA-CQSZACIVSA-N 1 0 354.520 2.214 20 30 FEEDRO CC(C)NS(=O)(=O)Cc1ccc(CNC(=[NH2+])NC2CCCCC2)cc1 ZINC000303891998 673018698 /nfs/dbraw/zinc/01/86/98/673018698.db2.gz RCRVLWLQEQNQQB-UHFFFAOYSA-N 1 0 366.531 2.251 20 30 FEEDRO [NH2+]=C(NCCCNC(=O)c1ccc(Br)cc1)N1CCCCC1 ZINC000303982242 673019521 /nfs/dbraw/zinc/01/95/21/673019521.db2.gz PZHXDPPIJGYTPY-UHFFFAOYSA-N 1 0 367.291 2.370 20 30 FEEDRO COC[C@H](C)NC(=[NH2+])NC[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000304759952 673020845 /nfs/dbraw/zinc/02/08/45/673020845.db2.gz RSNYNLHKEAWBHL-ZFWWWQNUSA-N 1 0 350.463 2.192 20 30 FEEDRO Cc1cc(S(=O)(=O)NCCNC(=[NH2+])NC2CCCCCC2)c(C)s1 ZINC000305747181 673021842 /nfs/dbraw/zinc/02/18/42/673021842.db2.gz RWWQMUBNSJHVEM-UHFFFAOYSA-N 1 0 372.560 2.270 20 30 FEEDRO C[C@@H](NC(=[NH2+])NCCNC(=O)c1ccn[nH]1)c1ccc(Cl)cc1Cl ZINC000305825941 673022048 /nfs/dbraw/zinc/02/20/48/673022048.db2.gz CKDVXZIYHWLWNY-SECBINFHSA-N 1 0 369.256 2.112 20 30 FEEDRO O=C(CCNC(=O)N1CC[NH+](C2CCCC2)CC1)N1CCCCCC1 ZINC000328801200 673066868 /nfs/dbraw/zinc/06/68/68/673066868.db2.gz JANLMHOVTFXMNR-UHFFFAOYSA-N 1 0 350.507 2.253 20 30 FEEDRO CCCCNS(=O)(=O)c1cccc(NC(=O)[C@H]([NH3+])CCCCC#N)c1 ZINC000594428532 673070789 /nfs/dbraw/zinc/07/07/89/673070789.db2.gz YVRKBAYXZPREFE-MRXNPFEDSA-N 1 0 366.487 2.115 20 30 FEEDRO N#CCCCC[C@@H]([NH3+])C(=O)NCCOc1ccc(Br)cc1 ZINC000594432085 673071428 /nfs/dbraw/zinc/07/14/28/673071428.db2.gz XITCDDDHPJXRES-CQSZACIVSA-N 1 0 354.248 2.355 20 30 FEEDRO CC(C)n1ccc(=O)nc1SCC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000329110265 673072499 /nfs/dbraw/zinc/07/24/99/673072499.db2.gz JIJBVUKDJVBTBG-UHFFFAOYSA-N 1 0 350.488 2.500 20 30 FEEDRO COC(=O)[C@@H](NC(=O)[C@H]([NH3+])CCCCC#N)c1ccc(Cl)c(F)c1 ZINC000594443186 673072475 /nfs/dbraw/zinc/07/24/75/673072475.db2.gz NOULRQZQKDBRFJ-KGLIPLIRSA-N 1 0 355.797 2.221 20 30 FEEDRO CC[NH+]1CCN([C@@H]2CCN(C(=O)N[C@@H](C)c3csc(C)n3)C2)CC1 ZINC000329386025 673076152 /nfs/dbraw/zinc/07/61/52/673076152.db2.gz PNBLGPCYMUHBLW-DZGCQCFKSA-N 1 0 351.520 2.138 20 30 FEEDRO C[C@H](NC(=O)NC[C@@H]1C[N@H+](C)CCN1C)c1nc(C(C)(C)C)cs1 ZINC000329417862 673076996 /nfs/dbraw/zinc/07/69/96/673076996.db2.gz DNMYMJNWDOQCKO-QWHCGFSZSA-N 1 0 353.536 2.251 20 30 FEEDRO C[NH+](C)[C@H]1C[C@@H](CNS(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)C1 ZINC000594474038 673080631 /nfs/dbraw/zinc/08/06/31/673080631.db2.gz CGEZDJUETHDUHA-TXEJJXNPSA-N 1 0 361.389 2.196 20 30 FEEDRO O=C(CC1CCCC1)NCC(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000329636066 673081072 /nfs/dbraw/zinc/08/10/72/673081072.db2.gz YAZOLDCUVFZRSF-UHFFFAOYSA-N 1 0 351.491 2.094 20 30 FEEDRO N#Cc1cc(F)ccc1CS(=O)(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594483022 673086421 /nfs/dbraw/zinc/08/64/21/673086421.db2.gz HPZGUWTUUUIQAN-DLBZAZTESA-N 1 0 351.447 2.134 20 30 FEEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000594532504 673095977 /nfs/dbraw/zinc/09/59/77/673095977.db2.gz CBROTEUQDJGGGB-BXKDBHETSA-N 1 0 374.388 2.025 20 30 FEEDRO COC(=O)CCC[NH+]1CCC(=NNC(=S)NC2CCCCC2)CC1 ZINC000727059117 673152486 /nfs/dbraw/zinc/15/24/86/673152486.db2.gz LDKXPZCZTDNPJE-UHFFFAOYSA-N 1 0 354.520 2.188 20 30 FEEDRO C[NH+](C)CC(C)(C)CNC(=S)NNc1oc(C(C)(C)C)nc1C#N ZINC000727083575 673154493 /nfs/dbraw/zinc/15/44/93/673154493.db2.gz LEPQKBREYOTLCB-UHFFFAOYSA-N 1 0 352.508 2.223 20 30 FEEDRO COCCN(CCC#N)C(=S)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000728449044 673201263 /nfs/dbraw/zinc/20/12/63/673201263.db2.gz ARRSBFHXYZUUDV-UHFFFAOYSA-N 1 0 360.527 2.388 20 30 FEEDRO C[NH+]1CCC(CCNC(=O)N2CCN(c3ccsc3C#N)CC2)CC1 ZINC000595548352 673264795 /nfs/dbraw/zinc/26/47/95/673264795.db2.gz WUOLRXPWAFWOBT-UHFFFAOYSA-N 1 0 361.515 2.183 20 30 FEEDRO C[C@H](C[NH+]1CCCCC1)NC(=O)N1CCN(c2ccsc2C#N)CC1 ZINC000595553264 673265640 /nfs/dbraw/zinc/26/56/40/673265640.db2.gz WODHYHKHFNAMQK-OAHLLOKOSA-N 1 0 361.515 2.326 20 30 FEEDRO N#Cc1ccc(NC(=O)CC[N@@H+]2CC[C@@H]3NC(=O)CC[C@H]3C2)cc1Cl ZINC000595744961 673288238 /nfs/dbraw/zinc/28/82/38/673288238.db2.gz WTUSOGYIMPTKSX-BBRMVZONSA-N 1 0 360.845 2.141 20 30 FEEDRO C[NH+](C)CCCNC(=S)NN=Cc1cccc(OCC(F)(F)F)c1 ZINC000731928057 673348263 /nfs/dbraw/zinc/34/82/63/673348263.db2.gz CNNSDSAQNFMQFJ-UHFFFAOYSA-N 1 0 362.421 2.377 20 30 FEEDRO C=C(C)COc1cc(C=NNC(=S)NCCC[NH+](C)C)ccc1OC ZINC000731928369 673348329 /nfs/dbraw/zinc/34/83/29/673348329.db2.gz IZRSDFMRMSRABZ-UHFFFAOYSA-N 1 0 364.515 2.400 20 30 FEEDRO COc1cc(OC)c(C(C)=NNC(=S)NCCC[NH+](C)C)cc1Cl ZINC000731928230 673348381 /nfs/dbraw/zinc/34/83/81/673348381.db2.gz GCMOIUPKPRNLDS-UHFFFAOYSA-N 1 0 372.922 2.497 20 30 FEEDRO Cc1c(Br)cc(C#N)c(=O)n1Cc1cccc2c1CC[NH2+]C2 ZINC000596071608 673356015 /nfs/dbraw/zinc/35/60/15/673356015.db2.gz OFWSFAKALQFJED-UHFFFAOYSA-N 1 0 358.239 2.485 20 30 FEEDRO N#Cc1cccc(CNC(=O)C[N@H+](C[C@@H]2CCCO2)[C@H]2CCSC2)c1 ZINC000536348188 673368198 /nfs/dbraw/zinc/36/81/98/673368198.db2.gz HHIYFSYDFDFHBS-ROUUACIJSA-N 1 0 359.495 2.161 20 30 FEEDRO C=CCOc1ccc(C[NH2+][C@@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)cc1 ZINC000537385874 673387259 /nfs/dbraw/zinc/38/72/59/673387259.db2.gz RIOQSGIOGWGFLE-SJLPKXTDSA-N 1 0 351.468 2.077 20 30 FEEDRO C=CCCSCCNC(=O)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000596722592 673407264 /nfs/dbraw/zinc/40/72/64/673407264.db2.gz WKNDYBWWPSDTGG-ROUUACIJSA-N 1 0 368.591 2.496 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCSC[C@H]1CCO)C(C)C ZINC000539286954 673482320 /nfs/dbraw/zinc/48/23/20/673482320.db2.gz QGHVTGDSBHNPHA-IAGOWNOFSA-N 1 0 355.548 2.194 20 30 FEEDRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)COc1ccc(C#N)c(Br)c1 ZINC000597533209 673484839 /nfs/dbraw/zinc/48/48/39/673484839.db2.gz FGKBULUDRKJKDO-HUUCEWRRSA-N 1 0 366.259 2.298 20 30 FEEDRO Cc1c2cc(C#N)ccc2sc1C(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000597627425 673494198 /nfs/dbraw/zinc/49/41/98/673494198.db2.gz ZRILGERXGLRTRG-HNNXBMFYSA-N 1 0 354.479 2.201 20 30 FEEDRO COC[C@H]([NH2+]CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)C(C)C ZINC000542524496 673588660 /nfs/dbraw/zinc/58/86/60/673588660.db2.gz AEZMOVNQCHUUQN-INIZCTEOSA-N 1 0 356.388 2.434 20 30 FEEDRO C[C@]12C[NH2+]C[C@@]1(C)CN(S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1)C2 ZINC000599110989 673634034 /nfs/dbraw/zinc/63/40/34/673634034.db2.gz IQWZGUZOKDJSHE-GASCZTMLSA-N 1 0 373.400 2.197 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N(C)C2CCC(NC(C)=O)CC2)CC1 ZINC000543348569 673641125 /nfs/dbraw/zinc/64/11/25/673641125.db2.gz CRZNQZRJCRLPQV-UHFFFAOYSA-N 1 0 350.507 2.116 20 30 FEEDRO CN1C(=O)C[C@H]([NH2+]C[C@@H](O)CC2(C#N)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000599384535 673667583 /nfs/dbraw/zinc/66/75/83/673667583.db2.gz OVKJILRZDBREOI-YLQAJVPDSA-N 1 0 365.836 2.395 20 30 FEEDRO C[NH+](C)CCCNC(=S)NN=C1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000741763751 673696931 /nfs/dbraw/zinc/69/69/31/673696931.db2.gz XDKVGSFHBJTGIJ-ZDUSSCGKSA-N 1 0 371.551 2.083 20 30 FEEDRO COc1cc(NC(=O)N2C[C@@H](SC)[C@@H]([NH+](C)C)C2)c(F)cc1C#N ZINC000599813947 673720074 /nfs/dbraw/zinc/72/00/74/673720074.db2.gz BOQIGJMZEQXKDJ-DZGCQCFKSA-N 1 0 352.435 2.215 20 30 FEEDRO N#CC1(CS(=O)(=O)NCC2CCN(c3cc[nH+]cc3)CC2)CCCC1 ZINC000546073898 673790206 /nfs/dbraw/zinc/79/02/06/673790206.db2.gz GWLZYBPGBMDHFL-UHFFFAOYSA-N 1 0 362.499 2.301 20 30 FEEDRO N#CC1(C[C@H](O)C[NH2+]C[C@H](c2ccc(Cl)cc2)N2CCOCC2)CC1 ZINC000600721966 673794304 /nfs/dbraw/zinc/79/43/04/673794304.db2.gz OYGBNUXECQHYMQ-ZWKOTPCHSA-N 1 0 363.889 2.358 20 30 FEEDRO N#CC1(C[C@H](O)C[NH2+]C[C@@H](O)COc2cccc(C(F)(F)F)c2)CC1 ZINC000600745501 673795973 /nfs/dbraw/zinc/79/59/73/673795973.db2.gz RHYFBRVWXKRJTN-UONOGXRCSA-N 1 0 358.360 2.089 20 30 FEEDRO CSc1nnc(CCCNC(=O)[C@H]([NH3+])CCCC#N)n1C1CCCC1 ZINC000600761631 673797273 /nfs/dbraw/zinc/79/72/73/673797273.db2.gz ODFBSFNIQKWLSM-CQSZACIVSA-N 1 0 364.519 2.185 20 30 FEEDRO CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCC(CC)([NH+]2CCCC2)CC1 ZINC000601497475 673870671 /nfs/dbraw/zinc/87/06/71/673870671.db2.gz YDNSIBLYJYHWPS-INIZCTEOSA-N 1 0 356.536 2.053 20 30 FEEDRO COc1ccc(C[N@H+](CCN2CCOCC2)[C@H]2CCSC2)cc1C#N ZINC000602880208 673912256 /nfs/dbraw/zinc/91/22/56/673912256.db2.gz FORJCNUXVMDPTK-SFHVURJKSA-N 1 0 361.511 2.207 20 30 FEEDRO CCC(CC)[C@H](CNc1ccc(C#N)cc1CS(N)(=O)=O)[NH+](C)C ZINC000603269877 673920124 /nfs/dbraw/zinc/92/01/24/673920124.db2.gz BQFUHVNDCYDIQZ-KRWDZBQOSA-N 1 0 352.504 2.125 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000818595929 675227032 /nfs/dbraw/zinc/22/70/32/675227032.db2.gz UIXCVUINUVWGIN-UHFFFAOYSA-N 1 0 358.423 2.403 20 30 FEEDRO C#CC[N@@H+](C)CCCNC(=O)[C@H](C)NC(=O)c1cccc(Cl)c1Cl ZINC000818595693 675227103 /nfs/dbraw/zinc/22/71/03/675227103.db2.gz KBUNUGQUABJMCA-LBPRGKRZSA-N 1 0 370.280 2.183 20 30 FEEDRO C#CC[N@@H+](C)CCCNC(=O)[C@@H](C)Oc1ccccc1Br ZINC000818602759 675227809 /nfs/dbraw/zinc/22/78/09/675227809.db2.gz COHXEGUBBGVQFW-CYBMUJFWSA-N 1 0 353.260 2.288 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)c1cnc(-c2ccc3c(c2)OCO3)s1 ZINC000818609460 675228587 /nfs/dbraw/zinc/22/85/87/675228587.db2.gz YOBWOOOYTMOCJO-UHFFFAOYSA-N 1 0 357.435 2.224 20 30 FEEDRO N#Cc1ccc(NCC[NH2+]C[C@H](O)COCc2ccc(Cl)cc2)nc1 ZINC000818952543 675246082 /nfs/dbraw/zinc/24/60/82/675246082.db2.gz PFBDSMRWCFRDKN-KRWDZBQOSA-N 1 0 360.845 2.186 20 30 FEEDRO C[NH+](C)[C@@H]1CCCN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)C1 ZINC000819225536 675271637 /nfs/dbraw/zinc/27/16/37/675271637.db2.gz DCDSJKHZBIQPIW-CABCVRRESA-N 1 0 352.479 2.126 20 30 FEEDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C ZINC000819452291 675291598 /nfs/dbraw/zinc/29/15/98/675291598.db2.gz KKYPPNDQVLCHBJ-KFWWJZLASA-N 1 0 352.479 2.125 20 30 FEEDRO C#C[C@H](NC(=O)NC[C@@H]1CCCC[N@H+]1CCO)c1ccc(Cl)cc1F ZINC000820750144 675384940 /nfs/dbraw/zinc/38/49/40/675384940.db2.gz LAQUQOXGWRRHFE-YOEHRIQHSA-N 1 0 367.852 2.299 20 30 FEEDRO N#CCSCCC[NH+]1CCC(Oc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000822814081 675508679 /nfs/dbraw/zinc/50/86/79/675508679.db2.gz BGBMIEYCCCBXPU-UHFFFAOYSA-N 1 0 358.471 2.357 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1C#N ZINC000824147756 675585948 /nfs/dbraw/zinc/58/59/48/675585948.db2.gz OZTOYCDQUAWLQV-UHFFFAOYSA-N 1 0 362.777 2.247 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CSC(c3ccccc3O)=N2)CC1 ZINC000826662638 675698703 /nfs/dbraw/zinc/69/87/03/675698703.db2.gz LLSBXYVBLMEYPJ-INIZCTEOSA-N 1 0 359.495 2.411 20 30 FEEDRO C[N@H+](CCCO)C1CCN(C(=O)NCc2ccc(C#N)c(Cl)c2)CC1 ZINC000619826547 676396603 /nfs/dbraw/zinc/39/66/03/676396603.db2.gz BDLHRJAZTMSTJI-UHFFFAOYSA-N 1 0 364.877 2.200 20 30 FEEDRO C=CCOc1c(Cl)cc(C[NH2+]C[C@@H]2CCS(=O)(=O)C2)cc1OC ZINC000623346991 676530385 /nfs/dbraw/zinc/53/03/85/676530385.db2.gz KLVBXQUDZIXEBM-LBPRGKRZSA-N 1 0 359.875 2.438 20 30 FEEDRO CC[N@@H+](CC#CCN1C(=O)c2ccccc2C1=O)CCc1nccs1 ZINC000625271750 676635467 /nfs/dbraw/zinc/63/54/67/676635467.db2.gz VVDHCEQIPIEOSR-UHFFFAOYSA-N 1 0 353.447 2.307 20 30 FEEDRO O=C(NCC#CCO)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccs1 ZINC000626928007 676728929 /nfs/dbraw/zinc/72/89/29/676728929.db2.gz IWYFGRFENIRTPA-QZTJIDSGSA-N 1 0 354.475 2.076 20 30 FEEDRO CC#CC[C@@H](CO)NC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000645133958 677254171 /nfs/dbraw/zinc/25/41/71/677254171.db2.gz OQSALUMFLZPDIY-SFHVURJKSA-N 1 0 363.889 2.378 20 30 FEEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SC[C@]1(O)CCCOC1 ZINC000656695001 677806867 /nfs/dbraw/zinc/80/68/67/677806867.db2.gz YSYVEQJHDVMSOP-SFHVURJKSA-N 1 0 366.531 2.126 20 30 FEEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)NCC1([NH3+])CCCC1 ZINC000659732875 678202393 /nfs/dbraw/zinc/20/23/93/678202393.db2.gz VDOYVIVWVLVLNN-UHFFFAOYSA-N 1 0 355.891 2.304 20 30 FEEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]CCC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000661118030 678437256 /nfs/dbraw/zinc/43/72/56/678437256.db2.gz VQLDUQQGNMOREK-RHSMWYFYSA-N 1 0 365.499 2.387 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CC[C@H]2NC(=O)CC[C@@H]2C1 ZINC000661597639 678509267 /nfs/dbraw/zinc/50/92/67/678509267.db2.gz MBZWBZZHMUGTNA-ZMSDIMECSA-N 1 0 361.511 2.252 20 30 FEEDRO C=CCC1([NH2+]Cc2nnnn2-c2ccc(S(C)(=O)=O)cc2)CCCC1 ZINC000661848296 678541812 /nfs/dbraw/zinc/54/18/12/678541812.db2.gz KEGLDCYMRVPAEN-UHFFFAOYSA-N 1 0 361.471 2.044 20 30 FEEDRO C#CC[C@@]1(C(=O)NCC[NH+](CC)CC)CCCN1C(=O)OC(C)(C)C ZINC000763875141 680794210 /nfs/dbraw/zinc/79/42/10/680794210.db2.gz MZQCIRBVMHQAHE-IBGZPJMESA-N 1 0 351.491 2.237 20 30 FEEDRO C=CC[C@@]1(C(=O)NCc2cc3c(cc2OC(F)F)OCO3)CCC[NH2+]1 ZINC000662645093 678646468 /nfs/dbraw/zinc/64/64/68/678646468.db2.gz ICGNQTDFQYVPLV-KRWDZBQOSA-N 1 0 354.353 2.331 20 30 FEEDRO C#CCC[NH+]1CCC(NS(=O)(=O)c2cc(Cl)cc(COC)c2)CC1 ZINC000840952195 680856610 /nfs/dbraw/zinc/85/66/10/680856610.db2.gz VRSZGYRSZPIYOS-UHFFFAOYSA-N 1 0 370.902 2.252 20 30 FEEDRO COC[C@H]1CCC[N@@H+]1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000674500003 679492085 /nfs/dbraw/zinc/49/20/85/679492085.db2.gz LMLYKFLSKTUFKM-MRXNPFEDSA-N 1 0 354.372 2.284 20 30 FEEDRO C#CCC[NH+]1CCC(NS(=O)(=O)c2ccc(OC(C)C)cc2)CC1 ZINC000840951710 680856341 /nfs/dbraw/zinc/85/63/41/680856341.db2.gz HXEIABSGVQDWLM-UHFFFAOYSA-N 1 0 350.484 2.240 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H](C[N@@H+](C)Cc2snnc2C)C1 ZINC001017211391 680073150 /nfs/dbraw/zinc/07/31/50/680073150.db2.gz ABUYICATZCSWTN-OAGGEKHMSA-N 1 0 364.515 2.108 20 30 FEEDRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C ZINC000832489915 680139239 /nfs/dbraw/zinc/13/92/39/680139239.db2.gz GGICNKOTFKPYDP-RBSFLKMASA-N 1 0 352.479 2.172 20 30 FEEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@H]1CCCN(CC[NH3+])C1=O ZINC000912069040 685308975 /nfs/dbraw/zinc/30/89/75/685308975.db2.gz WUSKYFVCMHXKJE-CYBMUJFWSA-N 1 0 355.891 2.113 20 30 FEEDRO C=C(Cl)C(C)(C)C(=O)N1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000977803431 680164037 /nfs/dbraw/zinc/16/40/37/680164037.db2.gz ANXTYBDYLGGNTB-BPLDGKMQSA-N 1 0 355.910 2.165 20 30 FEEDRO C=C(Cl)C(C)(C)C(=O)N1C[C@@H]2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001022212416 680202882 /nfs/dbraw/zinc/20/28/82/680202882.db2.gz CQFDRMMOANMJHE-HRCADAONSA-N 1 0 367.921 2.166 20 30 FEEDRO N#Cc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3C3CCOCC3)C2)s1 ZINC001022423093 680213754 /nfs/dbraw/zinc/21/37/54/680213754.db2.gz WXUKATZJZJZEFE-IHETXDGRSA-N 1 0 359.495 2.419 20 30 FEEDRO Cc1cc(C(=O)N[C@H]2C[NH2+]C[C@H]2C#N)nn1-c1ccc(Cl)c(Cl)c1 ZINC000834484477 680233477 /nfs/dbraw/zinc/23/34/77/680233477.db2.gz JLDDXCRSNGORPO-BMIGLBTASA-N 1 0 364.236 2.329 20 30 FEEDRO CC(C)Oc1ccc(-c2nc(C(=O)N[C@@H]3C[NH2+]C[C@H]3C#N)cs2)cc1 ZINC000834493117 680234456 /nfs/dbraw/zinc/23/44/56/680234456.db2.gz ARDLLBQQIPFEQZ-UKRRQHHQSA-N 1 0 356.451 2.439 20 30 FEEDRO C#CCNC(=O)Nc1ccc(Cl)c(C(=O)NCC[NH+](CC)CC)c1 ZINC000753331274 680286890 /nfs/dbraw/zinc/28/68/90/680286890.db2.gz RTPQHJQKUWFEFE-UHFFFAOYSA-N 1 0 350.850 2.166 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCc2scnc2C)C(C)(C)C1 ZINC000996331599 680328626 /nfs/dbraw/zinc/32/86/26/680328626.db2.gz RSMRTSBJXKWCDU-HLLBOEOZSA-N 1 0 363.527 2.412 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H]([NH2+]CCc2ccns2)C(C)(C)C1 ZINC000996409174 680331799 /nfs/dbraw/zinc/33/17/99/680331799.db2.gz UHBNSNOUYLXIEU-BBWFWOEESA-N 1 0 363.527 2.493 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([C@@H](C)[NH2+]Cc2nncs2)CC1 ZINC001029102012 680386409 /nfs/dbraw/zinc/38/64/09/680386409.db2.gz UIXZHUCSMBTYRZ-BMFZPTHFSA-N 1 0 364.515 2.236 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CCn2cc(Cl)cn2)C1 ZINC000999183737 680397560 /nfs/dbraw/zinc/39/75/60/680397560.db2.gz XCZDAWQQZSDQST-ZACQAIPSSA-N 1 0 366.893 2.098 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2ncc(Cl)n2C)C1 ZINC000999192070 680397976 /nfs/dbraw/zinc/39/79/76/680397976.db2.gz DBPQQPCLDFBWCB-ZNMIVQPWSA-N 1 0 366.893 2.135 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC1C[NH+](CCC[C@H]2CCOC2)C1 ZINC001032040718 680411696 /nfs/dbraw/zinc/41/16/96/680411696.db2.gz RTAQAGXFUXVIGN-WDSOQIARSA-N 1 0 350.503 2.222 20 30 FEEDRO C=C(C)CC[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C1 ZINC001033875364 680427229 /nfs/dbraw/zinc/42/72/29/680427229.db2.gz RLXNDSZRXARVBF-KFWWJZLASA-N 1 0 364.408 2.222 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)N1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000836488765 680476279 /nfs/dbraw/zinc/47/62/79/680476279.db2.gz ZUJQBNNSZDZVNF-UHFFFAOYSA-N 1 0 362.905 2.122 20 30 FEEDRO CC(=NNC(=S)NCCC[NH+](C)C)c1ccc(Br)cc1O ZINC000756828708 680500191 /nfs/dbraw/zinc/50/01/91/680500191.db2.gz GABZLBFKBFPUBZ-UHFFFAOYSA-N 1 0 373.320 2.295 20 30 FEEDRO C[C@@H]1CN(c2snc(Cl)c2C#N)C[C@H]1NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001042422540 680530124 /nfs/dbraw/zinc/53/01/24/680530124.db2.gz HCCCGXGDPJZSCB-RTXFEEFZSA-N 1 0 367.906 2.093 20 30 FEEDRO C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1Nc1nc(Cl)c(C#N)s1 ZINC001043257259 680570022 /nfs/dbraw/zinc/57/00/22/680570022.db2.gz MAPZIYYADSEMPO-GHMZBOCLSA-N 1 0 365.890 2.023 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1CC[NH+](CC[C@@H]2CCOC2)CC1 ZINC001005409704 680574558 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RDPLSPXUQBQRTL-SQNIBIBYSA-N 1 0 350.503 2.365 20 30 FEEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)Nc1cc(Br)c(F)cc1Cl ZINC000841144154 680865603 /nfs/dbraw/zinc/86/56/03/680865603.db2.gz XZNVPMRJQYKZLI-KBUNVGBDSA-N 1 0 361.602 2.475 20 30 FEEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)Nc1nc(SCc2ccccc2)ns1 ZINC000841145909 680865783 /nfs/dbraw/zinc/86/57/83/680865783.db2.gz NBLIRBHJTAIIQI-RYUDHWBXSA-N 1 0 360.468 2.063 20 30 FEEDRO C=CCOC(=O)c1sc(NC(=O)NC[C@@H](C)[NH3+])c(C(=O)OCC)c1C ZINC000841157317 680866536 /nfs/dbraw/zinc/86/65/36/680866536.db2.gz FIENXEIPPQVDLS-SECBINFHSA-N 1 0 369.443 2.045 20 30 FEEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)Nc1cc(F)c(Br)cc1Cl ZINC000841230637 680870191 /nfs/dbraw/zinc/87/01/91/680870191.db2.gz WDGKIZIKUFZGGU-UPONEAKYSA-N 1 0 361.602 2.475 20 30 FEEDRO N#Cc1cc(S(=O)(=O)NC2CC3(CC([NH3+])C3)C2)ccc1C(F)(F)F ZINC000842798169 680967778 /nfs/dbraw/zinc/96/77/78/680967778.db2.gz QZBPOVVCTQANDB-UHFFFAOYSA-N 1 0 359.373 2.125 20 30 FEEDRO N#CCc1ccc(OC[C@H](O)C[NH2+]C[C@@H](O)c2ccccc2Cl)cc1 ZINC000843061472 680985035 /nfs/dbraw/zinc/98/50/35/680985035.db2.gz ALYXRQIZUCSFRW-DNVCBOLYSA-N 1 0 360.841 2.469 20 30 FEEDRO CC[NH+](CC)CC#C[C@@H](C)OC(=O)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000770790718 681027679 /nfs/dbraw/zinc/02/76/79/681027679.db2.gz HQOBFXSTLOGPQM-CVEARBPZSA-N 1 0 365.495 2.471 20 30 FEEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)c1ccc(Br)c(C(F)(F)F)c1 ZINC000844194508 681043764 /nfs/dbraw/zinc/04/37/64/681043764.db2.gz JGEUFSGFYUFNMH-LDYMZIIASA-N 1 0 362.149 2.309 20 30 FEEDRO C[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)CCN1c1nc(Cl)c(C#N)s1 ZINC001050454892 681048489 /nfs/dbraw/zinc/04/84/89/681048489.db2.gz PZRIXRDWNKTKBN-WOPDTQHZSA-N 1 0 367.906 2.093 20 30 FEEDRO CCOCCCNC(=S)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000844596263 681068042 /nfs/dbraw/zinc/06/80/42/681068042.db2.gz IYTARWSWKANXEE-UHFFFAOYSA-N 1 0 360.527 2.413 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCO[C@H](C[NH2+]CC2CC(C)(C)C2)C1 ZINC001051868270 681070605 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CCOC[C@@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932944031 681332620 /nfs/dbraw/zinc/33/26/20/681332620.db2.gz QCOQNEKZFGYBMC-XHNCKOQMSA-N 1 0 371.268 2.487 20 30 FEEDRO C#C[C@H]([NH2+][C@H](C)C(=O)N(C)CCOc1ccc(Cl)cc1)[C@H]1CCCO1 ZINC000775797811 681336091 /nfs/dbraw/zinc/33/60/91/681336091.db2.gz DVIFDWYZFAMLKM-FHLIZLRMSA-N 1 0 364.873 2.336 20 30 FEEDRO C#CCN1CCN(C(=O)C[NH2+][C@H](c2ccc(Cl)cc2)[C@H]2C[C@H]2C)CC1 ZINC000776026562 681357285 /nfs/dbraw/zinc/35/72/85/681357285.db2.gz OQJWFPRRUWGZOA-MOXGXCLJSA-N 1 0 359.901 2.404 20 30 FEEDRO C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@@H](C)[C@H]1CCCN(C(=O)OCC)C1 ZINC000776755327 681433622 /nfs/dbraw/zinc/43/36/22/681433622.db2.gz NZBXCMNUDOTDEG-ULQDDVLXSA-N 1 0 351.491 2.422 20 30 FEEDRO CC(=O)Nc1ccc(OC[C@H](O)C[N@@H+](C)Cc2cc(C#N)cs2)cc1 ZINC000933775545 681467058 /nfs/dbraw/zinc/46/70/58/681467058.db2.gz JMZBOSSXMHLIPR-MRXNPFEDSA-N 1 0 359.451 2.450 20 30 FEEDRO C#CC[N@H+]1CCC[C@H]1COC(=O)C[C@@H](NC(=O)OC(C)(C)C)C1CC1 ZINC000777310402 681481448 /nfs/dbraw/zinc/48/14/48/681481448.db2.gz KHEMVIGJKHBUFD-JKSUJKDBSA-N 1 0 350.459 2.321 20 30 FEEDRO C#CCOc1cccc(Cl)c1C[NH2+]CCCN(CC)S(C)(=O)=O ZINC000778159966 681581636 /nfs/dbraw/zinc/58/16/36/681581636.db2.gz REXGUGQANBHWSZ-UHFFFAOYSA-N 1 0 358.891 2.113 20 30 FEEDRO C#CCOc1cccc(Cl)c1C[NH2+]C[C@@H]1CCC[C@@H]1NS(C)(=O)=O ZINC000778176280 681582848 /nfs/dbraw/zinc/58/28/48/681582848.db2.gz HVCAYRLCBFLXJV-BBRMVZONSA-N 1 0 370.902 2.160 20 30 FEEDRO COc1cc(C#N)ccc1C[NH+]1CCC(CN=[S@](C)(=O)N(C)C)CC1 ZINC000934750729 681620540 /nfs/dbraw/zinc/62/05/40/681620540.db2.gz FUJZSMIUACXCHK-VWLOTQADSA-N 1 0 364.515 2.353 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC2(CC1)C[N@H+](C[C@@H](C)CC)CCO2 ZINC000949477027 681643154 /nfs/dbraw/zinc/64/31/54/681643154.db2.gz OQEVAIOXZBQNRA-KSZLIROESA-N 1 0 350.503 2.317 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC2(CC1)C[N@H+](CCC)CCO2 ZINC000949489767 681643592 /nfs/dbraw/zinc/64/35/92/681643592.db2.gz PGKTWODXMCTICN-ROUUACIJSA-N 1 0 350.503 2.461 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@H]1CNC(=[NH2+])N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000849106007 681653631 /nfs/dbraw/zinc/65/36/31/681653631.db2.gz OFKMEFYBKFWSFE-GJZGRUSLSA-N 1 0 352.479 2.045 20 30 FEEDRO CCNC(NC[C@H](CO)Cc1ccc(OC)c(Br)c1)=[NH+]CC ZINC000849110110 681654946 /nfs/dbraw/zinc/65/49/46/681654946.db2.gz SETCGFQYEXFGIE-CYBMUJFWSA-N 1 0 372.307 2.184 20 30 FEEDRO CCNC(NC[C@H](CO)Cc1cc(Br)ccc1OC)=[NH+]CC ZINC000849109744 681655083 /nfs/dbraw/zinc/65/50/83/681655083.db2.gz GMSHPVJWCKVWCR-GFCCVEGCSA-N 1 0 372.307 2.184 20 30 FEEDRO C[NH+]=C(NC[C@H](CO)Cc1cccc(Br)c1C)NC1CC1 ZINC000849110403 681655151 /nfs/dbraw/zinc/65/51/51/681655151.db2.gz WFKQQSWUBZKXSY-GFCCVEGCSA-N 1 0 354.292 2.236 20 30 FEEDRO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CC[C@H](C(=O)NCC(F)(F)F)C2)cc1 ZINC000779196361 681687873 /nfs/dbraw/zinc/68/78/73/681687873.db2.gz SXUPHLUFLQAXSJ-JSGCOSHPSA-N 1 0 355.360 2.478 20 30 FEEDRO N#Cc1c(F)cccc1S(=O)(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000849460307 681746390 /nfs/dbraw/zinc/74/63/90/681746390.db2.gz AINGORDHSJUJRZ-ZDUSSCGKSA-N 1 0 351.447 2.383 20 30 FEEDRO C=C(Br)CNC(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849512130 681755486 /nfs/dbraw/zinc/75/54/86/681755486.db2.gz YRPCVYFGWNYREO-HUUCEWRRSA-N 1 0 369.307 2.259 20 30 FEEDRO C=C(Cl)C[C@@H](NC(=O)C1CCC([NH+]2CCOCC2)CC1)C(=O)OCC ZINC000913437065 685477205 /nfs/dbraw/zinc/47/72/05/685477205.db2.gz BIVMTJMCFYOATF-UYSNPLJNSA-N 1 0 372.893 2.068 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC2(CC1)CC[NH+](CCOC)CC2 ZINC000957618988 681910681 /nfs/dbraw/zinc/91/06/81/681910681.db2.gz MAGPSBIQYNTAQJ-ROUUACIJSA-N 1 0 350.503 2.319 20 30 FEEDRO C=C(Cl)C(C)(C)C(=O)N1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC000938038894 681927158 /nfs/dbraw/zinc/92/71/58/681927158.db2.gz BLTBLQYTWDEVCK-SOUVJXGZSA-N 1 0 355.910 2.213 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(Cc3cccc(Cl)n3)C[C@H]21 ZINC000959948461 682013247 /nfs/dbraw/zinc/01/32/47/682013247.db2.gz UFSYJZDHZQYJEM-LFRCEIEQSA-N 1 0 361.873 2.263 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]CC1CCOCC1 ZINC000960010314 682019960 /nfs/dbraw/zinc/01/99/60/682019960.db2.gz KJQLLEOWVPFRRD-OTWHNJEPSA-N 1 0 350.503 2.365 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)NCCc2ccccc2Br)CC1 ZINC000915425704 685515113 /nfs/dbraw/zinc/51/51/13/685515113.db2.gz OSURKKBEEYRHRB-UHFFFAOYSA-N 1 0 364.287 2.388 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC(C)([NH2+]Cc2snnc2C)CC1 ZINC000940373142 682052242 /nfs/dbraw/zinc/05/22/42/682052242.db2.gz FKUZQXKCPAPRJG-HOCLYGCPSA-N 1 0 364.515 2.298 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)NC1CC(C[NH2+]Cc2ncc(Cl)n2C)C1 ZINC000961853288 682102419 /nfs/dbraw/zinc/10/24/19/682102419.db2.gz MSLSOUFZBCMDPU-CVSAEHQPSA-N 1 0 366.893 2.039 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CC3CC(F)(F)C3)C[C@H]21 ZINC000961996385 682106023 /nfs/dbraw/zinc/10/60/23/682106023.db2.gz SKMNQJMQDFHVOK-SIRPWMCASA-N 1 0 354.441 2.449 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CCc3csc(C)n3)C[C@H]21 ZINC000962025443 682107428 /nfs/dbraw/zinc/10/74/28/682107428.db2.gz UNUAJQLTSUFFPN-AVEIZBFRSA-N 1 0 361.511 2.022 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CCC([NH2+]CC2CCOCC2)CC1 ZINC000963926893 682151354 /nfs/dbraw/zinc/15/13/54/682151354.db2.gz UJGSHXBCOOLPJC-GMNCBBECSA-N 1 0 350.503 2.363 20 30 FEEDRO C[NH+](C)C[C@H](CNS(=O)(=O)CC(C)(C)C#N)c1ccc(Cl)cc1 ZINC000916656543 685526656 /nfs/dbraw/zinc/52/66/56/685526656.db2.gz LGHFVOPTEUOXMJ-AWEZNQCLSA-N 1 0 357.907 2.454 20 30 FEEDRO C#C[C@](C)(CC)[NH2+]CC(=O)NCCc1ccc(OC(F)F)c(OC)c1 ZINC000852098646 682220037 /nfs/dbraw/zinc/22/00/37/682220037.db2.gz RVEFZXCWAYLRDA-GOSISDBHSA-N 1 0 354.397 2.347 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)NC[C@@H](O)c2cc(F)c(F)c(F)c2)CC1 ZINC000852127933 682224551 /nfs/dbraw/zinc/22/45/51/682224551.db2.gz ZBBOHSNMHFKYOG-OAHLLOKOSA-N 1 0 357.376 2.087 20 30 FEEDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)N2CCN(c3ccsc3C#N)CC2)C1 ZINC000852223373 682242154 /nfs/dbraw/zinc/24/21/54/682242154.db2.gz KPNNSNDEPYEEDU-CABCVRRESA-N 1 0 361.515 2.324 20 30 FEEDRO C=C(Cl)C(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000969123557 682258478 /nfs/dbraw/zinc/25/84/78/682258478.db2.gz LWSNVOIAZHRYHR-DMRZNYOFSA-N 1 0 367.921 2.307 20 30 FEEDRO C[NH+]1C[C@@]2(C)CN(S(=O)(=O)c3cc(C#N)ccc3Cl)C[C@]2(C)C1 ZINC000918359599 685538710 /nfs/dbraw/zinc/53/87/10/685538710.db2.gz FAYKWEJERKOZKI-HOTGVXAUSA-N 1 0 353.875 2.174 20 30 FEEDRO C#C[C@H]([NH2+]C[C@@H](O)COc1cccc(Br)c1)C1CCOCC1 ZINC000853116310 682378045 /nfs/dbraw/zinc/37/80/45/682378045.db2.gz TWEYBMZNRXYVOM-WBVHZDCISA-N 1 0 368.271 2.207 20 30 FEEDRO CC(C)[C@@H](CNc1cc(Br)cnc1C#N)[NH+]1CCN(C)CC1 ZINC000853134278 682381030 /nfs/dbraw/zinc/38/10/30/682381030.db2.gz PGUSVWNFGOWHGL-MRXNPFEDSA-N 1 0 366.307 2.400 20 30 FEEDRO C=C(Cl)C(C)(C)C(=O)N1C[C@H]2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]21 ZINC000972340670 682408018 /nfs/dbraw/zinc/40/80/18/682408018.db2.gz YEKWBYWBLULEFF-OAGGEKHMSA-N 1 0 369.937 2.411 20 30 FEEDRO C[NH+](C)C1CCN(CCNc2cc(Br)cnc2C#N)CC1 ZINC000853407847 682411961 /nfs/dbraw/zinc/41/19/61/682411961.db2.gz XUOZQYKGEMLTKG-UHFFFAOYSA-N 1 0 352.280 2.154 20 30 FEEDRO C#CC[C@]1(C(=O)NCC(C)(C)[NH+](C)C)CCCN1C(=O)OC(C)(C)C ZINC000788278297 682516416 /nfs/dbraw/zinc/51/64/16/682516416.db2.gz QMBPKUVBLDVPMM-LJQANCHMSA-N 1 0 351.491 2.236 20 30 FEEDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C ZINC000854650258 682575175 /nfs/dbraw/zinc/57/51/75/682575175.db2.gz AWEWTWDNXLDXAY-KFWWJZLASA-N 1 0 352.479 2.125 20 30 FEEDRO CC[NH+](CC)CCN(CCC(F)(F)F)S(=O)(=O)CC(C)(C)C#N ZINC000790031536 682649390 /nfs/dbraw/zinc/64/93/90/682649390.db2.gz MLGNPIHLZBEOSR-UHFFFAOYSA-N 1 0 357.442 2.462 20 30 FEEDRO COCC[N@@H+]1CCC[C@@H](NC(=O)C#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000790596591 682687162 /nfs/dbraw/zinc/68/71/62/682687162.db2.gz GOFBJOBANUGVDU-MRXNPFEDSA-N 1 0 354.372 2.284 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1nc(Br)ccc1F ZINC000792081914 682787492 /nfs/dbraw/zinc/78/74/92/682787492.db2.gz GEFJGMHYPBZNND-UHFFFAOYSA-N 1 0 357.227 2.291 20 30 FEEDRO O=C1c2ccccc2C(=O)N1CC#CC[NH2+][C@H](CCO)c1cccs1 ZINC000859248674 683064356 /nfs/dbraw/zinc/06/43/56/683064356.db2.gz XFVAAKOPJALCFI-MRXNPFEDSA-N 1 0 354.431 2.061 20 30 FEEDRO C=C(C)[C@H](CC(=O)N[C@@H]1C[C@]2(C[N@H+](CC)[C@H]2C(C)C)C[C@H]1O)OCC ZINC000926260086 683100269 /nfs/dbraw/zinc/10/02/69/683100269.db2.gz WRWFCIGMOOKZHC-NLPMXTIOSA-N 1 0 352.519 2.344 20 30 FEEDRO N#CCCNC(=O)C[NH2+][C@@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 ZINC000796600593 683175872 /nfs/dbraw/zinc/17/58/72/683175872.db2.gz OBIQUHMAQAUMDC-MRXNPFEDSA-N 1 0 355.360 2.026 20 30 FEEDRO C=CCCc1ccccc1NC(=O)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000927841973 683321654 /nfs/dbraw/zinc/32/16/54/683321654.db2.gz JWWSMSCXHNLPJR-CHWSQXEVSA-N 1 0 355.360 2.092 20 30 FEEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000927896257 683336620 /nfs/dbraw/zinc/33/66/20/683336620.db2.gz FRRQOEXKVXAFBU-HZSPNIEDSA-N 1 0 360.483 2.073 20 30 FEEDRO N#CCn1c(C(=O)N[C@H]2CCC[N@@H+]3CCSC[C@@H]23)cc2ccccc21 ZINC000928100842 683391763 /nfs/dbraw/zinc/39/17/63/683391763.db2.gz UUHPSMHIBRUJRF-YJBOKZPZSA-N 1 0 354.479 2.474 20 30 FEEDRO CCCCCCCNC(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000861786266 683473830 /nfs/dbraw/zinc/47/38/30/683473830.db2.gz UWLLGIVQYUNVEE-QWHCGFSZSA-N 1 0 351.413 2.059 20 30 FEEDRO CCCCCCCNC(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000861786268 683473856 /nfs/dbraw/zinc/47/38/56/683473856.db2.gz UWLLGIVQYUNVEE-STQMWFEESA-N 1 0 351.413 2.059 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)c2ccc(C(F)(F)F)nc2OCC)CC1 ZINC000928652717 683481520 /nfs/dbraw/zinc/48/15/20/683481520.db2.gz JPAQIZKPUWYUIN-UHFFFAOYSA-N 1 0 355.360 2.327 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)COc2ccc(Br)c(C)c2)CC1 ZINC000928660897 683483488 /nfs/dbraw/zinc/48/34/88/683483488.db2.gz JMGUOLYXSJMITQ-UHFFFAOYSA-N 1 0 365.271 2.350 20 30 FEEDRO CCN1CCC([NH+]2CCC(C(=O)N[C@H](CC#N)C(F)(F)F)CC2)CC1 ZINC000928801661 683505893 /nfs/dbraw/zinc/50/58/93/683505893.db2.gz BFLKWIOFOCOHOC-OAHLLOKOSA-N 1 0 360.424 2.143 20 30 FEEDRO C=CCN1CCC([NH2+][C@@H](C)[C@H]2CN(C(=O)OC(C)(C)C)CCO2)CC1 ZINC000862276550 683563516 /nfs/dbraw/zinc/56/35/16/683563516.db2.gz UCLKZWOFXHNNIJ-DOTOQJQBSA-N 1 0 353.507 2.251 20 30 FEEDRO CCNC(=O)N1CC[C@H]([NH2+]Cc2cc(C#N)ccc2Br)C1 ZINC000921842118 683587706 /nfs/dbraw/zinc/58/77/06/683587706.db2.gz JPPWDFXJLBWZAS-ZDUSSCGKSA-N 1 0 351.248 2.214 20 30 FEEDRO C=CC[C@H](CO)[NH2+][C@@H]1CCOC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000921993698 683633083 /nfs/dbraw/zinc/63/30/83/683633083.db2.gz JMZXWPSQQYLZAB-HZPDHXFCSA-N 1 0 354.491 2.462 20 30 FEEDRO C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cccc(Br)c1 ZINC000922023217 683639535 /nfs/dbraw/zinc/63/95/35/683639535.db2.gz AWQVEPUNUPFGKS-UHFFFAOYSA-N 1 0 371.300 2.167 20 30 FEEDRO C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(C)c2ncccc21 ZINC000922026161 683640273 /nfs/dbraw/zinc/64/02/73/683640273.db2.gz MLWVQVZRVQOBMS-UHFFFAOYSA-N 1 0 357.479 2.261 20 30 FEEDRO CC[N@@H+]1CCC[C@H]1Cn1c(C)cc(C=NNC(COC)COC)c1C ZINC000863197106 683683905 /nfs/dbraw/zinc/68/39/05/683683905.db2.gz HTZYFIUOBUZOMT-IBGZPJMESA-N 1 0 350.507 2.174 20 30 FEEDRO N#CC1(CCCC[NH+]2CCC(N3CCS(=O)(=O)CC3)CC2)CCC1 ZINC000930243935 683697515 /nfs/dbraw/zinc/69/75/15/683697515.db2.gz OMPLPPCNTMVRAS-UHFFFAOYSA-N 1 0 353.532 2.045 20 30 FEEDRO N#CC1(C[C@@H](O)C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CCOCC1 ZINC000863553027 683741364 /nfs/dbraw/zinc/74/13/64/683741364.db2.gz ZHKFNUOKAXRGGF-CQSZACIVSA-N 1 0 353.806 2.409 20 30 FEEDRO C[N@H+](C[C@H](O)c1cccc(C#N)c1)C[C@@](C)(O)C(F)(F)C(F)(F)F ZINC000930844890 683792010 /nfs/dbraw/zinc/79/20/10/683792010.db2.gz HNJXYXPEHBRNGE-QWHCGFSZSA-N 1 0 352.303 2.472 20 30 FEEDRO C=C(Cl)C[C@@H]1NC(=O)N(CC2([NH+]3CCOCC3)CCCCC2)C1=O ZINC000865297112 683963163 /nfs/dbraw/zinc/96/31/63/683963163.db2.gz NGINQKPXLGKQPK-AWEZNQCLSA-N 1 0 355.866 2.085 20 30 FEEDRO CN1CC[NH+](C2CCN(c3nc4cc(Cl)ccn4c3C#N)CC2)CC1 ZINC000866213154 684083720 /nfs/dbraw/zinc/08/37/20/684083720.db2.gz MNDOODRFJATSHD-UHFFFAOYSA-N 1 0 358.877 2.076 20 30 FEEDRO CS(=O)(=O)[C@@H]1CCCC[C@H]1[NH2+]C1CCN(c2ccccc2C#N)CC1 ZINC000866449314 684106021 /nfs/dbraw/zinc/10/60/21/684106021.db2.gz UGNDAUJSGJEJFK-IEBWSBKVSA-N 1 0 361.511 2.472 20 30 FEEDRO N#Cc1cc(F)cc(S(=O)(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)c1 ZINC000866776093 684150781 /nfs/dbraw/zinc/15/07/81/684150781.db2.gz STPVDHGFZAYZJK-OAHLLOKOSA-N 1 0 351.447 2.098 20 30 FEEDRO C#CCN1CCC[C@H](NC(=O)c2ccc(NC(=O)N(C)C)cc2Cl)C1 ZINC000923570109 684306813 /nfs/dbraw/zinc/30/68/13/684306813.db2.gz IIOLSIHJYNQKFY-AWEZNQCLSA-N 1 0 362.861 2.261 20 30 FEEDRO C[NH+]1CCC(OCC(=O)OCc2ccc(C#N)cc2OC(F)F)CC1 ZINC000923788470 684349876 /nfs/dbraw/zinc/34/98/76/684349876.db2.gz BYCDWAIGJJEBNC-UHFFFAOYSA-N 1 0 354.353 2.314 20 30 FEEDRO CC(C)Oc1cc(NC(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)ccc1Br ZINC000868191926 684463064 /nfs/dbraw/zinc/46/30/64/684463064.db2.gz YNLHKLBMBARINH-ZWNOBZJWSA-N 1 0 367.247 2.469 20 30 FEEDRO N#Cc1cccc([C@@H](NC(=O)N[C@H](CC[NH3+])C(F)F)C(F)(F)F)c1 ZINC000868210579 684464629 /nfs/dbraw/zinc/46/46/29/684464629.db2.gz PYDIUGZUOAGVBS-GHMZBOCLSA-N 1 0 350.291 2.443 20 30 FEEDRO N#CCCSc1ccccc1NC(=O)C(=O)N1C2CCC1(C[NH3+])CC2 ZINC000868289420 684475929 /nfs/dbraw/zinc/47/59/29/684475929.db2.gz MPXBTQCIXKYJLX-UHFFFAOYSA-N 1 0 358.467 2.113 20 30 FEEDRO CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)C(=O)Nc2cc(C#N)ccc2Cl)C1 ZINC000868312387 684479509 /nfs/dbraw/zinc/47/95/09/684479509.db2.gz QIXOVJDHNWZBNZ-GOSISDBHSA-N 1 0 362.861 2.374 20 30 FEEDRO C#CCSCC[NH2+][C@@H]1[C@@H]2COC[C@H]1C[C@H](NC(=O)OC(C)(C)C)C2 ZINC000925455850 684563749 /nfs/dbraw/zinc/56/37/49/684563749.db2.gz RQHGUNRQUMZDOW-PLAPLOCASA-N 1 0 354.516 2.261 20 30 FEEDRO C=C(Cl)C[C@H](NC(=O)C1CC[NH+]([C@H]2CCSC2)CC1)C(=O)OCC ZINC000870034241 684678160 /nfs/dbraw/zinc/67/81/60/684678160.db2.gz ZZXOVDJDFHLAJQ-GJZGRUSLSA-N 1 0 374.934 2.394 20 30 FEEDRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000872663987 685000305 /nfs/dbraw/zinc/00/03/05/685000305.db2.gz PLMNRBCDSCAULU-LSDHHAIUSA-N 1 0 373.400 2.434 20 30 FEEDRO N#Cc1sccc1C(=O)NCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000910464092 685060679 /nfs/dbraw/zinc/06/06/79/685060679.db2.gz VKFRYTTXENJCIY-UHFFFAOYSA-N 1 0 355.463 2.377 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)N[C@H](c1cccc(C#N)c1)C(F)(F)F ZINC000875622173 686050495 /nfs/dbraw/zinc/05/04/95/686050495.db2.gz FDGUYKCPFHLPIW-OAHLLOKOSA-N 1 0 352.360 2.416 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000876546898 686217180 /nfs/dbraw/zinc/21/71/80/686217180.db2.gz ZQVOCCKJSNUOJK-HNNXBMFYSA-N 1 0 371.890 2.270 20 30 FEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCN(C(=O)c2c(F)cccc2Cl)CC1 ZINC000876626939 686231412 /nfs/dbraw/zinc/23/14/12/686231412.db2.gz MJKPRUYZHRWHPY-CYBMUJFWSA-N 1 0 374.243 2.233 20 30 FEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)NCc1cccc(COC2CCOCC2)c1 ZINC000876655258 686237443 /nfs/dbraw/zinc/23/74/43/686237443.db2.gz XZKRZZXWWQVBRL-QGZVFWFLSA-N 1 0 352.862 2.468 20 30 FEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@H]1CCCN(Cc2ccc(F)cc2F)C1=O ZINC000876890482 686288136 /nfs/dbraw/zinc/28/81/36/686288136.db2.gz AIIMLIFLZFSEBZ-CABCVRRESA-N 1 0 371.815 2.042 20 30 FEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000876894208 686288971 /nfs/dbraw/zinc/28/89/71/686288971.db2.gz MFWODAJAFPRGLP-CHWSQXEVSA-N 1 0 360.216 2.171 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N1CCN(c2ncnc3sc(C)cc32)CC1 ZINC000876896365 686289845 /nfs/dbraw/zinc/28/98/45/686289845.db2.gz BFGVWTWQCAKFKU-ZDUSSCGKSA-N 1 0 365.890 2.118 20 30 FEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000877293418 686349367 /nfs/dbraw/zinc/34/93/67/686349367.db2.gz MAFCDJQRSVRHFL-MRXNPFEDSA-N 1 0 370.902 2.230 20 30 FEEDRO N#Cc1ccc(N2CC[NH+](C[C@@H](O)COCc3cccs3)CC2)cc1 ZINC000879584797 686863727 /nfs/dbraw/zinc/86/37/27/686863727.db2.gz JLQDCJJOSNSXDS-GOSISDBHSA-N 1 0 357.479 2.319 20 30 FEEDRO C[C@@H]1C[N@H+](C[C@@H](O)CC2(C#N)CCOCC2)CC[C@@H](C(F)(F)F)O1 ZINC000880065221 686992071 /nfs/dbraw/zinc/99/20/71/686992071.db2.gz RZLGYXDDEPJABV-RDBSUJKOSA-N 1 0 350.381 2.099 20 30 FEEDRO N#C[C@H](c1cccs1)N1CCN(C(=O)C[N@H+]2CCC[C@@H](CF)C2)CC1 ZINC000880237362 687021386 /nfs/dbraw/zinc/02/13/86/687021386.db2.gz VPJKDOLWCFSNIP-JKSUJKDBSA-N 1 0 364.490 2.138 20 30 FEEDRO C#CCC1(O)CC[NH+](C[C@H](O)COc2cccc(C(F)(F)F)c2)CC1 ZINC000880479232 687052351 /nfs/dbraw/zinc/05/23/51/687052351.db2.gz MUGPBGYWGLBDDR-HNNXBMFYSA-N 1 0 357.372 2.295 20 30 FEEDRO C=CCCc1ccc(S(=O)(=O)NC[C@H](C)N2CC[NH+](CC)CC2)cc1 ZINC000882101570 687303866 /nfs/dbraw/zinc/30/38/66/687303866.db2.gz ZFNRYMKXVCFKLW-KRWDZBQOSA-N 1 0 365.543 2.110 20 30 FEEDRO CN(CC[NH+]1CCCC1)C(=O)Nc1ccc(Br)c(C#N)n1 ZINC000883086183 687560038 /nfs/dbraw/zinc/56/00/38/687560038.db2.gz OBLNOZQJHRETND-UHFFFAOYSA-N 1 0 352.236 2.275 20 30 FEEDRO C=CCC[C@@H]([NH2+]CCS(=O)(=O)NCc1ccccc1)[C@@H]1CCCO1 ZINC000883178011 687582730 /nfs/dbraw/zinc/58/27/30/687582730.db2.gz NMRJIXOBRGHZOX-MSOLQXFVSA-N 1 0 352.500 2.209 20 30 FEEDRO C=CCCc1ccc(S(=O)(=O)NC2(CCOC)CC[NH2+]CC2)cc1 ZINC000883470251 687639218 /nfs/dbraw/zinc/63/92/18/687639218.db2.gz PCXZIJNCCCOUCB-UHFFFAOYSA-N 1 0 352.500 2.242 20 30 FEEDRO N#C[C@@H]1C[NH2+]CC12CC(C(=O)NC[C@H](O)c1ccc(Cl)cc1Cl)C2 ZINC000884134830 687797208 /nfs/dbraw/zinc/79/72/08/687797208.db2.gz SZKXDRUDTJPSJO-KSWWMYJESA-N 1 0 368.264 2.282 20 30 FEEDRO N#C[C@H]1C[NH2+]CC12CC(C(=O)Nc1nc(-c3ccc(F)cc3)ns1)C2 ZINC000884136193 687798153 /nfs/dbraw/zinc/79/81/53/687798153.db2.gz FPNUBHOYKMMTEZ-JKGQDXBKSA-N 1 0 357.414 2.422 20 30 FEEDRO N#C[C@H]1C[NH2+]CC12CC(C(=O)NC[C@H](O)c1cc(Cl)cc(Cl)c1)C2 ZINC000884144986 687799930 /nfs/dbraw/zinc/79/99/30/687799930.db2.gz ZLNRWUNMDKORPZ-BBHKVMKQSA-N 1 0 368.264 2.282 20 30 FEEDRO CN(C)[C@@H](CNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)c1ccccc1Cl ZINC000884179169 687809771 /nfs/dbraw/zinc/80/97/71/687809771.db2.gz HCLJFTZKYMRQNU-NKCCXGTCSA-N 1 0 360.889 2.198 20 30 FEEDRO N#C[C@@H]1C[NH2+]CC12CC(C(=O)NC[C@@H](OC1CCCC1)C(F)(F)F)C2 ZINC000884400572 687863495 /nfs/dbraw/zinc/86/34/95/687863495.db2.gz LZVWUAJDAPPOJK-ZWLBXZKKSA-N 1 0 359.392 2.132 20 30 FEEDRO N#C[C@@H]1C[NH2+]CC12CC(C(=O)N[C@@H]1CCO[C@H]1c1ccc(Cl)cc1)C2 ZINC000884449248 687873618 /nfs/dbraw/zinc/87/36/18/687873618.db2.gz ZPHYXWFAODIZQE-KVNFHXPGSA-N 1 0 359.857 2.426 20 30 FEEDRO C=C(Cl)C[C@H](NC(=O)[C@H]([NH3+])Cc1cc2ccccc2o1)C(=O)OCC ZINC000884453251 687874223 /nfs/dbraw/zinc/87/42/23/687874223.db2.gz JWNGKJIPUTXDMI-CABCVRRESA-N 1 0 364.829 2.493 20 30 FEEDRO C=CCCC(C)(C)CNC(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000884855676 687949245 /nfs/dbraw/zinc/94/92/45/687949245.db2.gz NHEYSDUTEKUGDR-CHWSQXEVSA-N 1 0 363.424 2.081 20 30 FEEDRO C[C@H]1CN(c2cc[nH+]cc2)CCN1S(=O)(=O)c1ccccc1CC#N ZINC000885848171 688167820 /nfs/dbraw/zinc/16/78/20/688167820.db2.gz PLOUSOBLUSPBHT-HNNXBMFYSA-N 1 0 356.451 2.047 20 30 FEEDRO C#CCN1CCC[C@@H]([NH2+]Cc2cc(Br)c(O)c(OC)c2)C1 ZINC000886212879 688214371 /nfs/dbraw/zinc/21/43/71/688214371.db2.gz HLLZBKFERXUUSD-CYBMUJFWSA-N 1 0 353.260 2.351 20 30 FEEDRO C#CC[C@@H]1CC[N@@H+](CC(=O)N(C)CC(=O)Nc2ccccc2SC)C1 ZINC000886356031 688235621 /nfs/dbraw/zinc/23/56/21/688235621.db2.gz SCKYDXKXWWCQDN-OAHLLOKOSA-N 1 0 359.495 2.151 20 30 FEEDRO C#CCN(C(=O)c1cnc(OC)c(Br)c1)C1CC[NH+](C)CC1 ZINC000886574667 688278030 /nfs/dbraw/zinc/27/80/30/688278030.db2.gz OFXANBASLXAUEV-UHFFFAOYSA-N 1 0 366.259 2.022 20 30 FEEDRO C#CCN(C(=O)c1ccc2c(c1)NC(=O)[C@H](C)S2)C1CC[NH+](C)CC1 ZINC000886587382 688280037 /nfs/dbraw/zinc/28/00/37/688280037.db2.gz UILSSHRZFFOWHB-ZDUSSCGKSA-N 1 0 357.479 2.289 20 30 FEEDRO CC[NH+](CC)CC#C[C@@H](C)OC(=O)Cc1c(Br)cnn1C ZINC000892863980 689255856 /nfs/dbraw/zinc/25/58/56/689255856.db2.gz RTCKMTZEKHGURM-GFCCVEGCSA-N 1 0 356.264 2.002 20 30 FEEDRO CN(Cc1cc(C#N)cs1)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000893742654 689397567 /nfs/dbraw/zinc/39/75/67/689397567.db2.gz LLPRZOATVUTETE-IAGOWNOFSA-N 1 0 362.499 2.139 20 30 FEEDRO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@@H]1CCCN(O)C1=O ZINC000895163689 689669675 /nfs/dbraw/zinc/66/96/75/689669675.db2.gz XOPGWTGJBHFACV-GXFFZTMASA-N 1 0 370.247 2.136 20 30 FEEDRO COC(=O)[C@H]1[C@@H](C[NH2+]C2(c3cccc(C#N)c3)CCOCC2)C1(F)F ZINC000895277034 689689131 /nfs/dbraw/zinc/68/91/31/689689131.db2.gz BPSIHKHXFCCACT-HUUCEWRRSA-N 1 0 350.365 2.208 20 30 FEEDRO C#C[C@H](NC(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO)c1ccc(Cl)cc1 ZINC000895684893 689754371 /nfs/dbraw/zinc/75/43/71/689754371.db2.gz GTAAGTPSEGCHAX-BZSNNMDCSA-N 1 0 361.873 2.255 20 30 FEEDRO N#Cc1cc(Br)ccc1N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000897221574 689990374 /nfs/dbraw/zinc/99/03/74/689990374.db2.gz NISASRCRIZRKHQ-HOTGVXAUSA-N 1 0 350.260 2.356 20 30 FEEDRO COc1nsc(C[NH2+]CCNc2ccc(C#N)cn2)c1Br ZINC000897396387 690016260 /nfs/dbraw/zinc/01/62/60/690016260.db2.gz JRWWQGHARGXVQY-UHFFFAOYSA-N 1 0 368.260 2.383 20 30 FEEDRO C#CCOc1ccc(C[NH2+][C@H]2CCN(c3cn[nH]c(=O)c3Cl)C2)cc1 ZINC000898364825 690166711 /nfs/dbraw/zinc/16/67/11/690166711.db2.gz QHGJJBRWYSUYDL-AWEZNQCLSA-N 1 0 358.829 2.216 20 30 FEEDRO CC[N@@H+]1CCC[C@H]1CNC(=S)N1CCO[C@@H](c2ccc(C#N)cc2)C1 ZINC000899634923 690394132 /nfs/dbraw/zinc/39/41/32/690394132.db2.gz CHYUERGXCCLEOO-ZWKOTPCHSA-N 1 0 358.511 2.290 20 30 FEEDRO CC[NH+]1CCC(NC(=O)COc2ccc(Br)cc2C#N)CC1 ZINC000902293352 690755087 /nfs/dbraw/zinc/75/50/87/690755087.db2.gz IYOPNUSLCFNFSC-UHFFFAOYSA-N 1 0 366.259 2.300 20 30 FEEDRO C[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)c(C#N)c2)[C@@H]1C[NH3+] ZINC000903485672 690898901 /nfs/dbraw/zinc/89/89/01/690898901.db2.gz CZQMUGCVPFMKEE-QMTHXVAHSA-N 1 0 372.288 2.069 20 30 FEEDRO Cc1cc(C#N)cc(C)c1CS(=O)(=O)N1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000903522345 690910271 /nfs/dbraw/zinc/91/02/71/690910271.db2.gz MRJGZODHIBDULV-MRXNPFEDSA-N 1 0 361.511 2.469 20 30 FEEDRO N#Cc1cc(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C2)ccc1Cl ZINC000903579305 690928358 /nfs/dbraw/zinc/92/83/58/690928358.db2.gz NFZSRXXZPSUSSZ-PWSUYJOCSA-N 1 0 367.780 2.112 20 30 FEEDRO C[C@](O)(C[NH2+]C[C@H]1CCN(CC(F)(F)F)C1)C(F)(F)C(F)(F)F ZINC000905058868 691062616 /nfs/dbraw/zinc/06/26/16/691062616.db2.gz JQFUMHMOXMMIPU-BDAKNGLRSA-N 1 0 358.273 2.409 20 30 FEEDRO N#Cc1ccccc1OC[C@H](O)C[NH2+]CC[C@H]1CC[C@H](C(F)(F)F)O1 ZINC000905557063 691140070 /nfs/dbraw/zinc/14/00/70/691140070.db2.gz RTBKGIBOBCQXNR-IIAWOOMASA-N 1 0 358.360 2.388 20 30 FEEDRO N#CCc1ccc(OC[C@@H](O)C[NH2+]CCc2nc3c(s2)CCC3)cc1 ZINC000905570615 691143549 /nfs/dbraw/zinc/14/35/49/691143549.db2.gz ZMQFMOQSDXGQLJ-HNNXBMFYSA-N 1 0 357.479 2.270 20 30 FEEDRO C[C@H](C[NH2+]C[C@H](O)CN(C)CCC#N)c1ccc(Br)cc1 ZINC000905644240 691155589 /nfs/dbraw/zinc/15/55/89/691155589.db2.gz OWVRHICETBBNBH-CJNGLKHVSA-N 1 0 354.292 2.349 20 30 FEEDRO C[C@@H](C[NH2+]C[C@H](O)CN(C)CCC#N)c1ccc(Br)cc1 ZINC000905644238 691155604 /nfs/dbraw/zinc/15/56/04/691155604.db2.gz OWVRHICETBBNBH-BBRMVZONSA-N 1 0 354.292 2.349 20 30 FEEDRO COC(=O)C1CC2(C1)C[C@H]([NH2+]C[C@@H](O)c1ccc(C#N)cc1)CCS2 ZINC000905695431 691163003 /nfs/dbraw/zinc/16/30/03/691163003.db2.gz KYRHVCAEIFTAFM-VZDIDWBNSA-N 1 0 360.479 2.399 20 30 FEEDRO C[NH+]1CCC(OCC(=O)Nc2cccc(C#N)c2Br)CC1 ZINC000905954784 691202190 /nfs/dbraw/zinc/20/21/90/691202190.db2.gz JJXANKBEDXIENP-UHFFFAOYSA-N 1 0 352.232 2.370 20 30 FEEDRO CC(C)(C[NH3+])C1CCN(C(=O)C(=O)Nc2ccc(C#N)cc2Cl)CC1 ZINC000906689894 691302580 /nfs/dbraw/zinc/30/25/80/691302580.db2.gz VOBNKNAYBXJMMO-UHFFFAOYSA-N 1 0 362.861 2.374 20 30 FEEDRO C=CCC1(C(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)CN(C(=O)OC(C)(C)C)C1 ZINC000906798113 691317606 /nfs/dbraw/zinc/31/76/06/691317606.db2.gz NXBWHZVBEUFYBQ-GJZGRUSLSA-N 1 0 351.491 2.399 20 30 FEEDRO C=CCC1(C(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)CN(C(=O)OC(C)(C)C)C1 ZINC000906798111 691317688 /nfs/dbraw/zinc/31/76/88/691317688.db2.gz NXBWHZVBEUFYBQ-CABCVRRESA-N 1 0 351.491 2.399 20 30 FEEDRO C[C@H]1C[C@@H](NS(=O)(=O)c2ccc(Br)c(C#N)c2)CC[N@@H+]1C ZINC000906988062 691362079 /nfs/dbraw/zinc/36/20/79/691362079.db2.gz OUOPSLGJEVVOHX-JQWIXIFHSA-N 1 0 372.288 2.082 20 30 FEEDRO CN(C[C@@H]1CCC[N@@H+]1C)S(=O)(=O)c1ccc(Br)c(C#N)c1 ZINC000907254522 691433613 /nfs/dbraw/zinc/43/36/13/691433613.db2.gz WCBXWAAZVXCJGV-LBPRGKRZSA-N 1 0 372.288 2.035 20 30 FEEDRO C[N@@H+]1CC[C@H]2CN(S(=O)(=O)c3c(C#N)sc4ccccc43)CC[C@@H]21 ZINC000907319493 691451570 /nfs/dbraw/zinc/45/15/70/691451570.db2.gz ZPRHJAPKZJIUAQ-JSGCOSHPSA-N 1 0 361.492 2.488 20 30 FEEDRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)S(=O)(=O)CCCC#N)C2)s1 ZINC000907347926 691458982 /nfs/dbraw/zinc/45/89/82/691458982.db2.gz XQIDMPOTYJQGDG-OAHLLOKOSA-N 1 0 355.529 2.444 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)c1cnc(NC(=O)OC(C)(C)C)s1 ZINC000908436242 691678461 /nfs/dbraw/zinc/67/84/61/691678461.db2.gz FPKZDAFUJCNZIQ-UHFFFAOYSA-N 1 0 352.460 2.175 20 30 FEEDRO C=CCn1c(-c2cnsn2)nnc1N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC000908720291 691718314 /nfs/dbraw/zinc/71/83/14/691718314.db2.gz OZGIIVDKCVSJLR-ZDUSSCGKSA-N 1 0 359.503 2.293 20 30 FEEDRO CSc1nc(-c2ccccc2)nc(N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)c1C#N ZINC001164671517 719408012 /nfs/dbraw/zinc/40/80/12/719408012.db2.gz PWRWXVSCUFWGOS-HOTGVXAUSA-N 1 0 367.478 2.256 20 30 FEEDRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nc3c(cc1C#N)CCCC3)CC2 ZINC001164690032 719740531 /nfs/dbraw/zinc/74/05/31/719740531.db2.gz PYIOLYAOBFVQFX-UHFFFAOYSA-N 1 0 367.497 2.013 20 30 FEEDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncc(Cl)nc1C#N)C2 ZINC001164812740 720085681 /nfs/dbraw/zinc/08/56/81/720085681.db2.gz ROASWTDHFIDTJJ-KBXCAEBGSA-N 1 0 361.877 2.186 20 30 FEEDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nnc(Cl)cc1C#N)C2 ZINC001164815697 720090362 /nfs/dbraw/zinc/09/03/62/720090362.db2.gz ZELMUHMCGNTLLB-MAUKXSAKSA-N 1 0 361.877 2.186 20 30 FEEDRO N#Cc1cc([N+](=O)[O-])cnc1N1CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164726913 720371419 /nfs/dbraw/zinc/37/14/19/720371419.db2.gz PVTQOICXPLIRCG-IAGOWNOFSA-N 1 0 350.382 2.110 20 30 FEEDRO N#Cc1cc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)nc2ccccc12 ZINC001164746442 720759584 /nfs/dbraw/zinc/75/95/84/720759584.db2.gz YECNTQCOEOQBAD-IAGOWNOFSA-N 1 0 372.432 2.238 20 30 FEEDRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc(C)c(C#N)cc3Cl)CC[C@@H]2C1 ZINC001164852921 720889492 /nfs/dbraw/zinc/88/94/92/720889492.db2.gz AJPXSSOZMAHSMO-RHSMWYFYSA-N 1 0 364.877 2.089 20 30 FEEDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1ncc3c(C#N)c[nH]c3n1)[C@H]2C ZINC001164859879 720986024 /nfs/dbraw/zinc/98/60/24/720986024.db2.gz MXGLVJVGWSZODW-ZDUSSCGKSA-N 1 0 364.457 2.447 20 30 FEEDRO Cc1nc(Cl)nc(N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)c1C#N ZINC001164771361 721138509 /nfs/dbraw/zinc/13/85/09/721138509.db2.gz SGXOSKOJZPOGRO-LSDHHAIUSA-N 1 0 371.876 2.002 20 30 FEEDRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ncc(Cl)cc4C#N)C[C@@H]3C2)cn1 ZINC001164766853 721176849 /nfs/dbraw/zinc/17/68/49/721176849.db2.gz JHOUGPAKOSHTJO-ZBFHGGJFSA-N 1 0 356.861 2.298 20 30 FEEDRO Cc1ncc(C#N)c(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164911915 721526287 /nfs/dbraw/zinc/52/62/87/721526287.db2.gz XLWPCMKRCQUQPU-SJLPKXTDSA-N 1 0 353.401 2.138 20 30 FEEDRO Cc1nc(C#N)cc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164908695 721566042 /nfs/dbraw/zinc/56/60/42/721566042.db2.gz RSGYJWDXFRNHDH-FUHWJXTLSA-N 1 0 353.401 2.138 20 30 FEEDRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2c1nc(Cl)c(Cl)cc1C#N ZINC001164928663 721863805 /nfs/dbraw/zinc/86/38/05/721863805.db2.gz ZTSNAGLAAKFIDZ-UONOGXRCSA-N 1 0 354.285 2.475 20 30 FEEDRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2C(F)(F)c1cnc(Cl)c(C#N)c1 ZINC001164921906 721864419 /nfs/dbraw/zinc/86/44/19/721864419.db2.gz DNOYTQRMUQNXCC-LSDHHAIUSA-N 1 0 369.847 2.366 20 30 FEEDRO C[NH+](C)CC1CCN(c2nccnc2[C@@H](C#N)C(=O)OC(C)(C)C)CC1 ZINC001165041929 721950686 /nfs/dbraw/zinc/95/06/86/721950686.db2.gz CGXIPLKXEPLZLY-OAHLLOKOSA-N 1 0 359.474 2.203 20 30 FEEDRO N#Cc1ccc(-n2ccc(NC(=O)N3CCC4(CC[NH2+]C4)CC3)n2)c(F)c1 ZINC000519693963 819016064 /nfs/dbraw/zinc/01/60/64/819016064.db2.gz UNZGXDUNYSDHDU-UHFFFAOYSA-N 1 0 368.416 2.490 20 30 FEEDRO C=CCc1ccccc1OC[C@H](O)C[NH2+]Cc1ccc(C(=O)NC)cc1 ZINC000028920182 539839886 /nfs/dbraw/zinc/83/98/86/539839886.db2.gz RASYUSIDVGTHQE-LJQANCHMSA-N 1 0 354.450 2.304 20 30 FEEDRO C#Cc1cccc(NC(=O)C(=O)NCC2([NH+]3CCSCC3)CCCC2)c1 ZINC000041965112 540043015 /nfs/dbraw/zinc/04/30/15/540043015.db2.gz KVAZZQJSRVMFSZ-UHFFFAOYSA-N 1 0 371.506 2.084 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H]1CCCN(C(=O)C2CC2)C1)C(C)C ZINC000042393341 540062589 /nfs/dbraw/zinc/06/25/89/540062589.db2.gz VVZZZWRPHMDHSR-RTBURBONSA-N 1 0 361.530 2.450 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1cnc2sccn2c1=O)C(C)C ZINC000046049138 540239144 /nfs/dbraw/zinc/23/91/44/540239144.db2.gz RPUGIDUDZWKZFL-OAHLLOKOSA-N 1 0 360.483 2.184 20 30 FEEDRO CCN1CC[NH+](CCCCNC(=O)N[C@H](C)c2ccc(C#N)cc2)CC1 ZINC000046754015 540269545 /nfs/dbraw/zinc/26/95/45/540269545.db2.gz RMQVKIQNIFIWSL-QGZVFWFLSA-N 1 0 357.502 2.336 20 30 FEEDRO N#Cc1ccc(NC(=O)CC[NH+]2CCC(c3nnc4n3CCC4)CC2)cc1 ZINC000047258560 540298697 /nfs/dbraw/zinc/29/86/97/540298697.db2.gz XPZBHOGFLJJMKZ-UHFFFAOYSA-N 1 0 364.453 2.304 20 30 FEEDRO CN1CCC([NH+]2CCC(NC(=O)/C=C/c3ccccc3C#N)CC2)CC1 ZINC000050799882 540414438 /nfs/dbraw/zinc/41/44/38/540414438.db2.gz NJNDQJKUMPIANI-VOTSOKGWSA-N 1 0 352.482 2.246 20 30 FEEDRO CN(Cc1cccc(C#N)c1)C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000051758653 540442660 /nfs/dbraw/zinc/44/26/60/540442660.db2.gz RNAFRHFYLLEDBB-UHFFFAOYSA-N 1 0 369.513 2.258 20 30 FEEDRO CC[NH+](CC)CCC[C@H](C)NC(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C ZINC000052818784 540491034 /nfs/dbraw/zinc/49/10/34/540491034.db2.gz DZWJMRCHVZXKOL-AWEZNQCLSA-N 1 0 360.502 2.423 20 30 FEEDRO Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C3CCCC3)CC2)o1 ZINC000055927420 540687994 /nfs/dbraw/zinc/68/79/94/540687994.db2.gz KUYCTOCGETXDSQ-GOSISDBHSA-N 1 0 371.485 2.158 20 30 FEEDRO CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@@H](C)C1CCN(CC(F)(F)F)CC1 ZINC000550660199 674104469 /nfs/dbraw/zinc/10/44/69/674104469.db2.gz JVSHGCPHBAVVAA-BBRMVZONSA-N 1 0 362.440 2.293 20 30 FEEDRO CSc1nc(C2CC2)cc(C(=O)NCCCC[NH+]2CCOCC2)c1C#N ZINC000062261023 541146718 /nfs/dbraw/zinc/14/67/18/541146718.db2.gz LRBZKGCBSGNAMY-UHFFFAOYSA-N 1 0 374.510 2.395 20 30 FEEDRO N#Cc1ccc(NC(=O)C(=O)N2CC[NH+](CC3CCCCC3)CC2)cc1 ZINC000065642419 541251185 /nfs/dbraw/zinc/25/11/85/541251185.db2.gz VFXOXDOARYGBHD-UHFFFAOYSA-N 1 0 354.454 2.221 20 30 FEEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)CCNC(=O)OC(C)(C)C ZINC000065931061 541272992 /nfs/dbraw/zinc/27/29/92/541272992.db2.gz QEBBCADKIGFEKL-UHFFFAOYSA-N 1 0 374.485 2.363 20 30 FEEDRO C[C@@H](CNC(=O)c1ccc(-n2ncc(C#N)c2N)cc1)[NH+]1CCC(C)CC1 ZINC000066241318 541294752 /nfs/dbraw/zinc/29/47/52/541294752.db2.gz FMEGFUFZNUPKDJ-HNNXBMFYSA-N 1 0 366.469 2.176 20 30 FEEDRO C[C@@H]1CN(C2CC[NH+](CCC(=O)Nc3cccc(C#N)c3)CC2)CCO1 ZINC000066561494 541336772 /nfs/dbraw/zinc/33/67/72/541336772.db2.gz SVQZLRYWLZQTCM-MRXNPFEDSA-N 1 0 356.470 2.072 20 30 FEEDRO C=CCSCCNC(=O)C(=O)NC[C@@H](C(C)C)[NH+]1CCCCCC1 ZINC000550755538 674109129 /nfs/dbraw/zinc/10/91/29/674109129.db2.gz APHGOSHLYLIMAX-INIZCTEOSA-N 1 0 355.548 2.039 20 30 FEEDRO C[C@H](CC[NH+](C)C)NC(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000066998636 541405602 /nfs/dbraw/zinc/40/56/02/541405602.db2.gz BMXMWGRPWAAMKK-ZIAGYGMSSA-N 1 0 362.499 2.476 20 30 FEEDRO C=C(C)COc1cccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC000067525490 541474816 /nfs/dbraw/zinc/47/48/16/541474816.db2.gz NHOWUDISIOVTLQ-QZTJIDSGSA-N 1 0 357.454 2.323 20 30 FEEDRO C[N@@H+]1CC[C@H]2CCN(C(=O)Nc3ccn(-c4cccc(F)c4C#N)n3)[C@H]2C1 ZINC000542839635 541484451 /nfs/dbraw/zinc/48/44/51/541484451.db2.gz IQTSYVBHWZPNDX-GUYCJALGSA-N 1 0 368.416 2.441 20 30 FEEDRO CC(=O)N[C@H](CC(=O)N(CCC#N)CCC[NH+](C)C)c1cccs1 ZINC000068225752 541565960 /nfs/dbraw/zinc/56/59/60/541565960.db2.gz OWOBPYZWHSMAAO-OAHLLOKOSA-N 1 0 350.488 2.009 20 30 FEEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)COc1ccccc1C#N ZINC000068309836 541574848 /nfs/dbraw/zinc/57/48/48/541574848.db2.gz QZONJCOHFIBWIG-UHFFFAOYSA-N 1 0 362.433 2.399 20 30 FEEDRO Cc1nccc(NCc2cccc(C(=O)NC3(C#N)CC[NH+](C)CC3)c2)n1 ZINC000543520815 541603314 /nfs/dbraw/zinc/60/33/14/541603314.db2.gz GSJJZINMEFEHQK-UHFFFAOYSA-N 1 0 364.453 2.115 20 30 FEEDRO CC1CCC([NH+]2CCN(C(=O)C(=O)Nc3sccc3C#N)CC2)CC1 ZINC000550811275 674111735 /nfs/dbraw/zinc/11/17/35/674111735.db2.gz SWZVWYBRGBPCIT-UHFFFAOYSA-N 1 0 360.483 2.281 20 30 FEEDRO CC[N@@H+]1CCCN(C(=O)CCC(=O)N(CCC#N)c2ccccc2)CC1 ZINC000069156549 541663954 /nfs/dbraw/zinc/66/39/54/541663954.db2.gz ASHFTUVTDFMWGO-UHFFFAOYSA-N 1 0 356.470 2.268 20 30 FEEDRO C[C@H](CC[NH+](C)C)NC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000069425925 541685784 /nfs/dbraw/zinc/68/57/84/541685784.db2.gz SPEQQHNTJPBHLP-ZBFHGGJFSA-N 1 0 361.465 2.306 20 30 FEEDRO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCCN(C(=O)C(C)C)CC1 ZINC000069609060 541700619 /nfs/dbraw/zinc/70/06/19/541700619.db2.gz QNOAFRPZEJPSBM-LJQANCHMSA-N 1 0 360.498 2.345 20 30 FEEDRO CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)N(CCC#N)CCC[NH+](C)C ZINC000069576503 541698044 /nfs/dbraw/zinc/69/80/44/541698044.db2.gz XBSCLTKQSYIMKE-FQEVSTJZSA-N 1 0 370.497 2.216 20 30 FEEDRO CC(C)[N@@H+]1CCCN(C(=O)C(=O)Nc2cccc(OCCCC#N)c2)CC1 ZINC000069988766 541730071 /nfs/dbraw/zinc/73/00/71/541730071.db2.gz LIXVKXNSLOVRPE-UHFFFAOYSA-N 1 0 372.469 2.250 20 30 FEEDRO Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)NCCC1CC[NH+](C)CC1 ZINC000545191157 541897987 /nfs/dbraw/zinc/89/79/87/541897987.db2.gz HWLSOUFZPSAJRL-UHFFFAOYSA-N 1 0 367.457 2.301 20 30 FEEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(NC=O)cc1 ZINC000073108009 541918796 /nfs/dbraw/zinc/91/87/96/541918796.db2.gz NMKGIIHRQOQRCP-UHFFFAOYSA-N 1 0 350.422 2.331 20 30 FEEDRO CN(Cc1cccc(Cl)c1)C(NC[C@@H]1CCS(=O)(=O)C1)=[NH+]C1CC1 ZINC000073780959 541998273 /nfs/dbraw/zinc/99/82/73/541998273.db2.gz XNOWUBBDVGFMSJ-AWEZNQCLSA-N 1 0 369.918 2.315 20 30 FEEDRO C[NH+](C)[C@@H](CNS(=O)(=O)Cc1cccc(C#N)c1)Cc1ccccc1 ZINC000073793997 542000811 /nfs/dbraw/zinc/00/08/11/542000811.db2.gz XXAAUWSFZRXIPJ-LJQANCHMSA-N 1 0 357.479 2.151 20 30 FEEDRO CC[N@@H+]1CCC[C@H]1CNC(=O)N1CCCN(c2ccccc2C#N)CC1 ZINC000074494197 542089830 /nfs/dbraw/zinc/08/98/30/542089830.db2.gz BKIGFOQDRRTHLP-SFHVURJKSA-N 1 0 355.486 2.264 20 30 FEEDRO C[C@H](NC(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1)c1cccc(C#N)c1 ZINC000074918306 542135876 /nfs/dbraw/zinc/13/58/76/542135876.db2.gz MTGGVTZMRNHAOR-PXNSSMCTSA-N 1 0 369.513 2.431 20 30 FEEDRO CC[NH+]1CCN(CCC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)CC1 ZINC000075536209 542186433 /nfs/dbraw/zinc/18/64/33/542186433.db2.gz AJARLTZONXQSRU-UXHICEINSA-N 1 0 354.498 2.312 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)Nc2nc(-c3cccc(OC)c3)ns2)CC1 ZINC000077305944 542364432 /nfs/dbraw/zinc/36/44/32/542364432.db2.gz DKXGZBDIBCOYEK-UHFFFAOYSA-N 1 0 356.451 2.497 20 30 FEEDRO C#CCOc1cccc(NC(=O)N2CC[NH+](CC3CCOCC3)CC2)c1 ZINC000077466039 542384878 /nfs/dbraw/zinc/38/48/78/542384878.db2.gz WULYQOOQVKSRSD-UHFFFAOYSA-N 1 0 357.454 2.275 20 30 FEEDRO N#Cc1cccc(NC(=O)C(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)c1 ZINC000077851715 542427268 /nfs/dbraw/zinc/42/72/68/542427268.db2.gz VJFVFSXUMBQDKJ-LJQANCHMSA-N 1 0 362.433 2.450 20 30 FEEDRO CC(C)N1CC[C@H]([NH2+]CC(=O)NCCC#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000801956575 674156757 /nfs/dbraw/zinc/15/67/57/674156757.db2.gz POZFYEFQDSGGED-WMZOPIPTSA-N 1 0 350.413 2.108 20 30 FEEDRO C[C@H]1CCC[C@](C#N)(NC(=O)CC[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000081410579 542656045 /nfs/dbraw/zinc/65/60/45/542656045.db2.gz YNNADFBKPFAUIA-PXNSSMCTSA-N 1 0 355.486 2.182 20 30 FEEDRO N#Cc1cccc([C@@H]2C[C@H]2C(=O)N2CCC(C[NH+]3CCOCC3)CC2)c1 ZINC000081567896 542666243 /nfs/dbraw/zinc/66/62/43/542666243.db2.gz WRDTYPDGGVGLAW-VQTJNVASSA-N 1 0 353.466 2.233 20 30 FEEDRO COc1cc(NC2CC[NH+]([C@H](C)C(=O)N(C)CCC#N)CC2)cc(OC)c1 ZINC000085870311 542732815 /nfs/dbraw/zinc/73/28/15/542732815.db2.gz XNDKMRDLCHHYAT-OAHLLOKOSA-N 1 0 374.485 2.341 20 30 FEEDRO CCC(CC)[C@H](CNC(=O)Cc1cccc(OCC#N)c1)[NH+]1CCOCC1 ZINC000089659739 542768377 /nfs/dbraw/zinc/76/83/77/542768377.db2.gz JBWVYBTXILUQIQ-FQEVSTJZSA-N 1 0 373.497 2.385 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@H]2CCCN2Cc2ccccc2)c1C#N ZINC000089677614 542768429 /nfs/dbraw/zinc/76/84/29/542768429.db2.gz LNGUPAJVDXQHEX-GOSISDBHSA-N 1 0 366.469 2.036 20 30 FEEDRO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)Cc1cccc(OCC#N)c1 ZINC000089769305 542769753 /nfs/dbraw/zinc/76/97/53/542769753.db2.gz GKAASAVARMLRJF-IBGZPJMESA-N 1 0 351.450 2.421 20 30 FEEDRO Cc1nn(-c2ccccc2)c(CN2CC[C@@H](C[NH+]3CCOCC3)C2)c1C#N ZINC000091070552 542793010 /nfs/dbraw/zinc/79/30/10/542793010.db2.gz OXAVCIRXNFDVQB-SFHVURJKSA-N 1 0 365.481 2.207 20 30 FEEDRO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCc3ccccc3[C@@H]2C)CC1 ZINC000091558598 542812665 /nfs/dbraw/zinc/81/26/65/542812665.db2.gz UXGAMKPEFQFXPJ-PXNSSMCTSA-N 1 0 354.498 2.298 20 30 FEEDRO C[NH+](C)[C@@H]1CC[C@@H](NC(=O)N2CCN(c3cccc(F)c3C#N)CC2)C1 ZINC000091711581 542821373 /nfs/dbraw/zinc/82/13/73/542821373.db2.gz DJTFQZHBGNETRB-HUUCEWRRSA-N 1 0 359.449 2.012 20 30 FEEDRO C[N@H+](CC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1)[C@@H]1CCSC1 ZINC000092034869 542839101 /nfs/dbraw/zinc/83/91/01/542839101.db2.gz SWMUOKMFJVLFBA-AQFXKWCLSA-N 1 0 374.510 2.197 20 30 FEEDRO COCCCNC(=O)C1CC[NH+](Cc2ccc(N(C)CCC#N)cc2)CC1 ZINC000092362059 542860011 /nfs/dbraw/zinc/86/00/11/542860011.db2.gz FZGUKZFPCSLETL-UHFFFAOYSA-N 1 0 372.513 2.401 20 30 FEEDRO CN(CCC#N)C(=O)CC[N@@H+]1CCC[C@H](Oc2ccc(Cl)cn2)C1 ZINC000092806328 542887951 /nfs/dbraw/zinc/88/79/51/542887951.db2.gz QPSDBRXLRWSIQP-HNNXBMFYSA-N 1 0 350.850 2.340 20 30 FEEDRO N#Cc1ccccc1OCC(=O)Nc1cnn(CC[NH+]2CCCCC2)c1 ZINC000093079986 542907883 /nfs/dbraw/zinc/90/78/83/542907883.db2.gz ICUKRXWNFPHNTP-UHFFFAOYSA-N 1 0 353.426 2.258 20 30 FEEDRO CN1CCC([NH+]2CCC(NC(=O)CSc3ccc(C#N)cc3)CC2)CC1 ZINC000103077359 543091286 /nfs/dbraw/zinc/09/12/86/543091286.db2.gz DVEZMHNNVGXJTP-UHFFFAOYSA-N 1 0 372.538 2.325 20 30 FEEDRO CC(C)CN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000104529824 543134066 /nfs/dbraw/zinc/13/40/66/543134066.db2.gz GXYURJLXYCNBPK-UHFFFAOYSA-N 1 0 350.850 2.196 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CC(=O)N(CCc3ccccc3)C2)CC1 ZINC000106037251 543186080 /nfs/dbraw/zinc/18/60/80/543186080.db2.gz AJEXAHVJQBAPQR-LJQANCHMSA-N 1 0 369.509 2.234 20 30 FEEDRO N#C[C@@H]1CN(C(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)CCO1 ZINC000106324248 543222799 /nfs/dbraw/zinc/22/27/99/543222799.db2.gz IIGHMZFXPVJIBA-QGZVFWFLSA-N 1 0 360.483 2.034 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)CNC(=O)c2ccc3c(c2)CCC3)CC1 ZINC000106290703 543221704 /nfs/dbraw/zinc/22/17/04/543221704.db2.gz FCTMEAOWKQETQG-UHFFFAOYSA-N 1 0 355.482 2.062 20 30 FEEDRO CC1CC[NH+](Cc2ccc(CNC(=O)N3CCO[C@H](C#N)C3)cc2)CC1 ZINC000106330785 543223363 /nfs/dbraw/zinc/22/33/63/543223363.db2.gz PBZQZWCHDSZOMX-LJQANCHMSA-N 1 0 356.470 2.352 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)NC[C@H](O)COc2cccc(C)c2)CC1 ZINC000106340604 543223937 /nfs/dbraw/zinc/22/39/37/543223937.db2.gz RHSJCLOIGDYQTM-SFHVURJKSA-N 1 0 361.486 2.074 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(OCC)cc2C)CC1 ZINC000106348995 543224871 /nfs/dbraw/zinc/22/48/71/543224871.db2.gz HXVKYDQRRIWKFW-UHFFFAOYSA-N 1 0 359.470 2.489 20 30 FEEDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(C2CC2)nc(SC)c1C#N ZINC000108278041 543284836 /nfs/dbraw/zinc/28/48/36/543284836.db2.gz KHWSIIZXPXRKJK-CQSZACIVSA-N 1 0 374.510 2.393 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N2CCN(Cc3cccc(Cl)c3)CC2)CC1 ZINC000108929958 543308384 /nfs/dbraw/zinc/30/83/84/543308384.db2.gz AVCDJLSXVZIYPX-UHFFFAOYSA-N 1 0 359.901 2.329 20 30 FEEDRO C[NH+]1CCC2(CC1)C[C@@H](NC(=O)C1(C#N)CCOCC1)c1ccccc1O2 ZINC000109139798 543315438 /nfs/dbraw/zinc/31/54/38/543315438.db2.gz ZCJAZJIJYJJEDV-QGZVFWFLSA-N 1 0 369.465 2.411 20 30 FEEDRO CCOc1ccc(N(CCC#N)C(=O)CN2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000109809212 543339995 /nfs/dbraw/zinc/33/99/95/543339995.db2.gz NNLCRNXNFCEKMX-SFHVURJKSA-N 1 0 358.486 2.358 20 30 FEEDRO N#CCOc1ccc(CC(=O)NC2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000110635596 543363877 /nfs/dbraw/zinc/36/38/77/543363877.db2.gz GXMXJRNUJIFODF-UHFFFAOYSA-N 1 0 364.449 2.307 20 30 FEEDRO C[NH+](C)CCOc1cccc(CNC(=O)Cc2ccc(OCC#N)cc2)c1 ZINC000110696111 543365529 /nfs/dbraw/zinc/36/55/29/543365529.db2.gz CYYQJXJPZFPFSA-UHFFFAOYSA-N 1 0 367.449 2.388 20 30 FEEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(CN2CCc3ccccc32)CC1 ZINC000111307593 543395754 /nfs/dbraw/zinc/39/57/54/543395754.db2.gz MRGHPIXVMXXMON-MRXNPFEDSA-N 1 0 370.497 2.161 20 30 FEEDRO C=CC1CC[NH+]([C@@H](C)C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)CC1 ZINC000111258245 543389797 /nfs/dbraw/zinc/38/97/97/543389797.db2.gz VWGOVBVSSKMWCY-AWEZNQCLSA-N 1 0 365.499 2.162 20 30 FEEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@H]1CCC[N@H+]1CCOC ZINC000111865097 543421878 /nfs/dbraw/zinc/42/18/78/543421878.db2.gz ZZJMWJAYEKBFDF-LJQANCHMSA-N 1 0 356.470 2.367 20 30 FEEDRO N#C[C@@H]1CN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCO1 ZINC000111882209 543422299 /nfs/dbraw/zinc/42/22/99/543422299.db2.gz YZONBTGVCFXSQD-XVLXNVKGSA-N 1 0 354.454 2.116 20 30 FEEDRO C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)CCN1CCCC1=O ZINC000112703773 543458701 /nfs/dbraw/zinc/45/87/01/543458701.db2.gz CKCKAJAKJZZVSQ-UHFFFAOYSA-N 1 0 374.510 2.381 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1cnc2cc(C)ccn2c1=O)C(C)C ZINC000112919899 543468443 /nfs/dbraw/zinc/46/84/43/543468443.db2.gz YJHYKZPVJFFQCZ-GOSISDBHSA-N 1 0 368.481 2.431 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1c(C)oc2nc[nH]c(=O)c21)C(C)C ZINC000112919907 543468466 /nfs/dbraw/zinc/46/84/66/543468466.db2.gz CYVBPCVXNOTIJQ-CQSZACIVSA-N 1 0 358.442 2.253 20 30 FEEDRO N#Cc1ccc([C@H]([NH2+]CC2(N3CCSCC3)CCCC2)C(N)=O)cc1 ZINC000115596896 543577092 /nfs/dbraw/zinc/57/70/92/543577092.db2.gz FLMPCFJJZOQILM-KRWDZBQOSA-N 1 0 358.511 2.036 20 30 FEEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)[C@@H](C)C1 ZINC000247469099 549338808 /nfs/dbraw/zinc/33/88/08/549338808.db2.gz RROQHEKLSZVDFB-KSSFIOAISA-N 1 0 366.469 2.128 20 30 FEEDRO CC1CC[NH+](C[C@H](O)CNC(=O)CCCCOc2cccc(C#N)c2)CC1 ZINC000116450695 543609088 /nfs/dbraw/zinc/60/90/88/543609088.db2.gz MFJMSBAVKKNSOL-LJQANCHMSA-N 1 0 373.497 2.316 20 30 FEEDRO C=C(C)COc1cc(C[NH2+][C@H]2CCN(c3cnn(C)c3)C2=O)ccc1OC ZINC000117948042 543642288 /nfs/dbraw/zinc/64/22/88/543642288.db2.gz FAAYTXAJZQDJRZ-KRWDZBQOSA-N 1 0 370.453 2.279 20 30 FEEDRO CC(C)[N@H+](C)CCNC(=O)C(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000118122950 543646629 /nfs/dbraw/zinc/64/66/29/543646629.db2.gz RVRKDZDDRZLOHZ-AWEZNQCLSA-N 1 0 362.499 2.333 20 30 FEEDRO C=CCN(C)C(=O)C(=O)Nc1cccc(CN(C)Cc2cscn2)c1 ZINC000121555215 543696453 /nfs/dbraw/zinc/69/64/53/543696453.db2.gz OKGUATLWNMFOSM-UHFFFAOYSA-N 1 0 358.467 2.358 20 30 FEEDRO C=CCOc1cccc(NC(=O)C(=O)NC[C@H](C)C[NH+]2CCCCC2)c1 ZINC000118896202 543661315 /nfs/dbraw/zinc/66/13/15/543661315.db2.gz IXESRPMRVHVBQA-INIZCTEOSA-N 1 0 359.470 2.428 20 30 FEEDRO C[C@@H]1C[NH+](CC2CCN(C(=O)Nc3ccn(CCC#N)n3)CC2)C[C@@H](C)O1 ZINC000118894251 543661988 /nfs/dbraw/zinc/66/19/88/543661988.db2.gz VWOIDZKMBNDRNM-HZPDHXFCSA-N 1 0 374.489 2.150 20 30 FEEDRO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C[C@H](O)COC1CCOCC1 ZINC000119082278 543663220 /nfs/dbraw/zinc/66/32/20/543663220.db2.gz MQDMTZZRXRMKOE-KRWDZBQOSA-N 1 0 350.415 2.139 20 30 FEEDRO C=CCCS(=O)(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000119764558 543671986 /nfs/dbraw/zinc/67/19/86/543671986.db2.gz JUQXFKAQKWJTLW-UHFFFAOYSA-N 1 0 351.516 2.084 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1cccc(N2CCOCC2)c1 ZINC000120165822 543676275 /nfs/dbraw/zinc/67/62/75/543676275.db2.gz ZBMDFPSHVGYDRJ-UHFFFAOYSA-N 1 0 359.474 2.222 20 30 FEEDRO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC[C@H](Cc2nccn2C)C1 ZINC000123810609 543784163 /nfs/dbraw/zinc/78/41/63/543784163.db2.gz GKKIFKIAGQWFQX-DLBZAZTESA-N 1 0 357.502 2.406 20 30 FEEDRO N#Cc1ccc(N2CC[C@H](C[NH+]3CCOCC3)C2)c(Br)c1 ZINC000123907063 543790560 /nfs/dbraw/zinc/79/05/60/543790560.db2.gz LLOYKHGJHALLOQ-CQSZACIVSA-N 1 0 350.260 2.479 20 30 FEEDRO CCC[N@@H+]1CC[C@@H](CNC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)C1 ZINC000123377063 543758157 /nfs/dbraw/zinc/75/81/57/543758157.db2.gz IMMHAIUBBZUZGE-KRWDZBQOSA-N 1 0 373.476 2.261 20 30 FEEDRO N#Cc1ccc(C(=O)NCc2ccccc2OCCN2CCOCC2)cc1 ZINC000124738998 543839829 /nfs/dbraw/zinc/83/98/29/543839829.db2.gz SPQNBISSRFKHDK-UHFFFAOYSA-N 1 0 365.433 2.199 20 30 FEEDRO CCOC(=O)C1CCN(C(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2)CC1 ZINC000127537929 543999007 /nfs/dbraw/zinc/99/90/07/543999007.db2.gz HSMYAYXWYAICLK-HUUCEWRRSA-N 1 0 357.454 2.399 20 30 FEEDRO CCC[C@H]1CN(C(=O)Cc2ccc(OCC#N)cc2)CC[N@@H+]1CCOC ZINC000128412144 544050894 /nfs/dbraw/zinc/05/08/94/544050894.db2.gz CHJYROCXLJXGAB-SFHVURJKSA-N 1 0 359.470 2.091 20 30 FEEDRO CC[NH+]=C(NCc1ccc(Cl)cc1OC)N[C@@H]1CCc2ncnn2C1 ZINC000130540362 544155004 /nfs/dbraw/zinc/15/50/04/544155004.db2.gz OPAOMVZWNLGQJK-CQSZACIVSA-N 1 0 362.865 2.010 20 30 FEEDRO C[C@@H](NC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1)C(C)(C)C[NH+](C)C ZINC000133240471 544261284 /nfs/dbraw/zinc/26/12/84/544261284.db2.gz JOONBIUCFVOFCF-LLVKDONJSA-N 1 0 350.850 2.243 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(SC)ccc2[N+](=O)[O-])c1C#N ZINC000133367644 544266816 /nfs/dbraw/zinc/26/68/16/544266816.db2.gz QSTUCVNNKRAZRH-UHFFFAOYSA-N 1 0 374.426 2.316 20 30 FEEDRO C=C(C)COCCNC(=O)N1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000135022610 544331501 /nfs/dbraw/zinc/33/15/01/544331501.db2.gz FLFBCFPUCXWTQW-IRXDYDNUSA-N 1 0 353.507 2.110 20 30 FEEDRO CC[NH+](CC)CC(=O)N1CCN(Cc2ccccc2C(C)(C)C#N)CC1 ZINC000135188430 544337534 /nfs/dbraw/zinc/33/75/34/544337534.db2.gz NQISFHUHFGJAGD-UHFFFAOYSA-N 1 0 356.514 2.474 20 30 FEEDRO C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc(C#N)cc1F)Cc1ccccc1 ZINC000151017080 544496597 /nfs/dbraw/zinc/49/65/97/544496597.db2.gz PPOBNHHUCDGMPR-MRXNPFEDSA-N 1 0 361.442 2.149 20 30 FEEDRO C[N@H+](CCNC(=O)C1CCN(C(=O)C(C)(C)C#N)CC1)Cc1ccccc1 ZINC000152820580 544700003 /nfs/dbraw/zinc/70/00/03/544700003.db2.gz FAFQDFNCBBQTMA-UHFFFAOYSA-N 1 0 370.497 2.023 20 30 FEEDRO CCC[C@H](NC(=O)C[N@H+](C)CCCc1[nH]nc(N)c1C#N)c1ccccc1 ZINC000153311318 544759330 /nfs/dbraw/zinc/75/93/30/544759330.db2.gz KMMLBKRHHSLXKX-KRWDZBQOSA-N 1 0 368.485 2.386 20 30 FEEDRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(CCOc2cccc(C#N)c2)CC1 ZINC000153916468 544840005 /nfs/dbraw/zinc/84/00/05/544840005.db2.gz RZXDXFGYYRDNGD-KDURUIRLSA-N 1 0 356.514 2.427 20 30 FEEDRO CNC(=O)CCC[N@H+](C)CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000154716205 544940548 /nfs/dbraw/zinc/94/05/48/544940548.db2.gz UDBHJVMCFRXXFZ-UHFFFAOYSA-N 1 0 350.850 2.045 20 30 FEEDRO CNC(=O)CCC[N@H+](C)[C@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000154852837 544957606 /nfs/dbraw/zinc/95/76/06/544957606.db2.gz XDSDXYKJEBPFLD-QGZVFWFLSA-N 1 0 358.486 2.397 20 30 FEEDRO C=CCSCCNC(=O)C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000552503267 674212407 /nfs/dbraw/zinc/21/24/07/674212407.db2.gz QTGNOMBUGWPCIT-DLBZAZTESA-N 1 0 367.559 2.135 20 30 FEEDRO C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)NCCCCC#N)[C@H]1c1cccs1 ZINC000553271991 674250015 /nfs/dbraw/zinc/25/00/15/674250015.db2.gz LPIZZXIHQKYMIW-HOCLYGCPSA-N 1 0 362.499 2.057 20 30 FEEDRO C[N@@H+]1CCC[C@H](CNC(=O)C(=O)NCCCCC#N)[C@H]1c1cccs1 ZINC000553271992 674250065 /nfs/dbraw/zinc/25/00/65/674250065.db2.gz LPIZZXIHQKYMIW-ZBFHGGJFSA-N 1 0 362.499 2.057 20 30 FEEDRO C[C@@H](CCNC(=O)N1CCN(c2ccc(C#N)cn2)CC1)[NH+]1CCCCC1 ZINC000182665480 327783990 /nfs/dbraw/zinc/78/39/90/327783990.db2.gz CGZFSSHJTQXTNW-KRWDZBQOSA-N 1 0 370.501 2.049 20 30 FEEDRO N#Cc1cc(NC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCCC2)ccc1F ZINC000189394128 328145308 /nfs/dbraw/zinc/14/53/08/328145308.db2.gz RVVUURAEAUDWGM-INIZCTEOSA-N 1 0 358.417 2.113 20 30 FEEDRO CC(C)C[C@@H](CNC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C)[NH+](C)C ZINC000192546332 328324992 /nfs/dbraw/zinc/32/49/92/328324992.db2.gz IQAOGISJSXJIES-HNNXBMFYSA-N 1 0 361.490 2.146 20 30 FEEDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)C1 ZINC000193055184 328354325 /nfs/dbraw/zinc/35/43/25/328354325.db2.gz OAGSVUHNYYFJHX-OAHLLOKOSA-N 1 0 373.501 2.244 20 30 FEEDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000192972572 328349923 /nfs/dbraw/zinc/34/99/23/328349923.db2.gz FHLUODKCQYTSNI-OAHLLOKOSA-N 1 0 359.474 2.044 20 30 FEEDRO CC(C)[NH2+]C1CCN(C(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)CC1 ZINC000193255777 328365323 /nfs/dbraw/zinc/36/53/23/328365323.db2.gz ICLWFXQLHKXNSL-UHFFFAOYSA-N 1 0 359.474 2.042 20 30 FEEDRO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)CC(=O)NC1CC1 ZINC000007926400 324359082 /nfs/dbraw/zinc/35/90/82/324359082.db2.gz UJPQHGYFSCUGFJ-UHFFFAOYSA-N 1 0 360.483 2.038 20 30 FEEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+](CCO)C(C)C)c1C#N ZINC000078688439 325058691 /nfs/dbraw/zinc/05/86/91/325058691.db2.gz BOCMSWLYYADXLV-UHFFFAOYSA-N 1 0 358.442 2.259 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)Cc2cc(F)c(F)cc2F)c1C#N ZINC000089662808 325326044 /nfs/dbraw/zinc/32/60/44/325326044.db2.gz PCASCWZLQZAESI-UHFFFAOYSA-N 1 0 351.332 2.032 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)C(C)(C)Oc2ccc(F)cc2)c1C#N ZINC000089661993 325326096 /nfs/dbraw/zinc/32/60/96/325326096.db2.gz KZTZUOXPWXEYCU-UHFFFAOYSA-N 1 0 359.405 2.369 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@H](C)Oc2cccc(C(C)=O)c2)c1C#N ZINC000089675769 325326586 /nfs/dbraw/zinc/32/65/86/325326586.db2.gz AUEYUUWXEOCAHF-ZDUSSCGKSA-N 1 0 369.425 2.042 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@H](C)CCOc2ccccc2)c1C#N ZINC000089676908 325326603 /nfs/dbraw/zinc/32/66/03/325326603.db2.gz FSFCBVQFDLCUBZ-CQSZACIVSA-N 1 0 355.442 2.477 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)CCCc2ccc(OC)cc2)c1C#N ZINC000089675980 325326767 /nfs/dbraw/zinc/32/67/67/325326767.db2.gz JMQNNKRZAWODGM-UHFFFAOYSA-N 1 0 355.442 2.403 20 30 FEEDRO C[N@H+](CCCc1[nH]nc(N)c1C#N)Cc1csc(-c2ccccn2)n1 ZINC000089943679 325344021 /nfs/dbraw/zinc/34/40/21/325344021.db2.gz KUVBNJQMSIYNLS-UHFFFAOYSA-N 1 0 353.455 2.447 20 30 FEEDRO Cc1nn(C)c2ncc(C[NH2+]C3CCN(c4ccc(C#N)cn4)CC3)cc12 ZINC000237885633 328532954 /nfs/dbraw/zinc/53/29/54/328532954.db2.gz DBPFBLXPPPVVEW-UHFFFAOYSA-N 1 0 361.453 2.302 20 30 FEEDRO COc1cc(C#N)ccc1OCC(=O)N1CCC[C@H]([NH+]2CCCCC2)C1 ZINC000107639023 325631930 /nfs/dbraw/zinc/63/19/30/325631930.db2.gz RMNLCCMUFMRLDL-KRWDZBQOSA-N 1 0 357.454 2.423 20 30 FEEDRO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3CCCC[C@@H]3C(C)C)CC2)o1 ZINC000117347488 326058236 /nfs/dbraw/zinc/05/82/36/326058236.db2.gz NTALZUZSHIPOEJ-QGZVFWFLSA-N 1 0 359.474 2.014 20 30 FEEDRO CC[N@H+](C)CCNC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000118109543 326082286 /nfs/dbraw/zinc/08/22/86/326082286.db2.gz QASGLADOASAGHT-UHFFFAOYSA-N 1 0 366.421 2.357 20 30 FEEDRO CCC[C@@H]1CN(CCC(=O)Nc2ccc(C#N)cc2)CC[N@@H+]1CCOC ZINC000121969736 326378960 /nfs/dbraw/zinc/37/89/60/326378960.db2.gz KRIBKPYHHLXWBZ-LJQANCHMSA-N 1 0 358.486 2.320 20 30 FEEDRO CC(C)[NH+](CCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)C(C)C ZINC000124321763 326451703 /nfs/dbraw/zinc/45/17/03/326451703.db2.gz YWESNPOOGMJASV-UHFFFAOYSA-N 1 0 368.459 2.254 20 30 FEEDRO C[NH+](C)CCOc1cc(CNC(=O)CSc2ccc(C#N)cc2)ccn1 ZINC000124370774 326452638 /nfs/dbraw/zinc/45/26/38/326452638.db2.gz WZLZAXAXBMMZTI-UHFFFAOYSA-N 1 0 370.478 2.302 20 30 FEEDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3sccc3C#N)cn2)CC1 ZINC000128165008 326519081 /nfs/dbraw/zinc/51/90/81/326519081.db2.gz QTOQCSDQPNVZDD-UHFFFAOYSA-N 1 0 355.467 2.087 20 30 FEEDRO N#Cc1ccnc(Sc2nnc([C@H]3CCC[NH2+]C3)n2C2CC2)c1[N+](=O)[O-] ZINC000150863807 326669782 /nfs/dbraw/zinc/66/97/82/326669782.db2.gz UQAGRXDCQUKYBR-NSHDSACASA-N 1 0 371.426 2.406 20 30 FEEDRO CC(C)(Oc1ccc(C#N)cc1)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000152208730 326701668 /nfs/dbraw/zinc/70/16/68/326701668.db2.gz MFNFNMVRVWUWRC-UHFFFAOYSA-N 1 0 371.481 2.286 20 30 FEEDRO CCO[C@H]1C[C@@H](O)C12CC[NH+](CCC(=O)Nc1sccc1C#N)CC2 ZINC000152761937 326715860 /nfs/dbraw/zinc/71/58/60/326715860.db2.gz ZGMWJYFADQULJD-CABCVRRESA-N 1 0 363.483 2.200 20 30 FEEDRO N#Cc1ccc(Cl)c(NC(=O)C(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000155910882 326810408 /nfs/dbraw/zinc/81/04/08/326810408.db2.gz CJZINQCRLLQXHA-HNNXBMFYSA-N 1 0 374.872 2.485 20 30 FEEDRO CCOC(=O)Cc1csc(NC(=O)C[NH2+][C@@H](C)c2ccc(C#N)cc2)n1 ZINC000157646971 326870897 /nfs/dbraw/zinc/87/08/97/326870897.db2.gz SQUVAVFWHSSNOK-LBPRGKRZSA-N 1 0 372.450 2.410 20 30 FEEDRO N#Cc1cccc(NCC(=O)N2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000163798391 327059025 /nfs/dbraw/zinc/05/90/25/327059025.db2.gz CKVIUBXUVBOWIH-UHFFFAOYSA-N 1 0 356.470 2.074 20 30 FEEDRO N#Cc1ccc(F)c(CS(=O)(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)c1 ZINC000163931796 327061753 /nfs/dbraw/zinc/06/17/53/327061753.db2.gz KXDRAVCJEZICPV-KRWDZBQOSA-N 1 0 365.474 2.381 20 30 FEEDRO Cc1ccc(C#N)cc1NC(=O)C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000173568378 327267455 /nfs/dbraw/zinc/26/74/55/327267455.db2.gz ZPZGXWJQXAJXHK-KRWDZBQOSA-N 1 0 354.454 2.186 20 30 FEEDRO N#Cc1cc(S(=O)(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)ccc1F ZINC000173630182 327272294 /nfs/dbraw/zinc/27/22/94/327272294.db2.gz BTRFPWMLXVONFO-CQSZACIVSA-N 1 0 351.447 2.194 20 30 FEEDRO CC[C@@]1(C)CCC[N@H+](CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C1 ZINC000173779406 327283633 /nfs/dbraw/zinc/28/36/33/327283633.db2.gz VLVXKQCHMQARMO-IBGZPJMESA-N 1 0 359.474 2.015 20 30 FEEDRO C[C@@H]([NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(C#N)cc1 ZINC000174105263 327306601 /nfs/dbraw/zinc/30/66/01/327306601.db2.gz KTGAHBJZICDQBE-CYBMUJFWSA-N 1 0 374.422 2.096 20 30 FEEDRO Cc1cccc(NC(=O)C(=O)NCc2ccc(C[NH+](C)C)cc2)c1C#N ZINC000174596528 327337205 /nfs/dbraw/zinc/33/72/05/327337205.db2.gz ZYZJWJWAVYCDHV-UHFFFAOYSA-N 1 0 350.422 2.183 20 30 FEEDRO Cc1cccc(NC(=O)C(=O)NC[C@@H](C)[N@H+](C)Cc2ccccc2)c1C#N ZINC000174856483 327355230 /nfs/dbraw/zinc/35/52/30/327355230.db2.gz KMQWPUZFBKSXMO-MRXNPFEDSA-N 1 0 364.449 2.442 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)CCN2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000176267172 327444765 /nfs/dbraw/zinc/44/47/65/327444765.db2.gz BKYMWJRNPKEAEI-GOSISDBHSA-N 1 0 361.511 2.140 20 30 FEEDRO Cc1ccc(CN(CC[NH+](C)C)S(=O)(=O)c2ccc(F)c(C#N)c2)o1 ZINC000264042078 328987488 /nfs/dbraw/zinc/98/74/88/328987488.db2.gz FBSALQCXVVRJGI-UHFFFAOYSA-N 1 0 365.430 2.351 20 30 FEEDRO C[NH+](C)C[C@H]1CCN(S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)C1 ZINC000265388588 329121441 /nfs/dbraw/zinc/12/14/41/329121441.db2.gz GZKRHDKTPMCJFV-GFCCVEGCSA-N 1 0 361.389 2.149 20 30 FEEDRO Cn1cccc1CNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000266588632 329239249 /nfs/dbraw/zinc/23/92/49/329239249.db2.gz WWNKSFDVUKCTMQ-UHFFFAOYSA-N 1 0 351.454 2.314 20 30 FEEDRO N#Cc1ccc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)c(Cl)c1 ZINC000269108819 329486491 /nfs/dbraw/zinc/48/64/91/329486491.db2.gz PRKBPJHEMDATDC-CQSZACIVSA-N 1 0 360.845 2.237 20 30 FEEDRO C[C@H]([NH2+]C[C@H](O)c1ccc(C#N)cc1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000271800963 329726513 /nfs/dbraw/zinc/72/65/13/329726513.db2.gz JYWCXMFZOAMQSY-LIRRHRJNSA-N 1 0 373.478 2.193 20 30 FEEDRO C[C@@H]([NH2+]CC(=O)NCc1ccc(C#N)cc1)c1ccc2c(c1)CC(=O)N2C ZINC000271805510 329726874 /nfs/dbraw/zinc/72/68/74/329726874.db2.gz LETGYFFKHHZWHB-CQSZACIVSA-N 1 0 362.433 2.044 20 30 FEEDRO COc1cc(C#N)ccc1OCC(=O)NCc1ccccc1C[NH+](C)C ZINC000273514142 329870676 /nfs/dbraw/zinc/87/06/76/329870676.db2.gz RJYNXYQKTYFDKJ-UHFFFAOYSA-N 1 0 353.422 2.324 20 30 FEEDRO C[NH+](C)C1(CNC(=O)N2CCCN(c3ccccc3C#N)CC2)CCC1 ZINC000275412856 330045959 /nfs/dbraw/zinc/04/59/59/330045959.db2.gz GJBYQPCTOOCMNW-UHFFFAOYSA-N 1 0 355.486 2.264 20 30 FEEDRO N#Cc1ccc(OC[C@@H](O)C[NH2+][C@]2(CO)CCCc3ccccc32)cc1 ZINC000367110191 330217907 /nfs/dbraw/zinc/21/79/07/330217907.db2.gz WOUCEJNXAIXUTH-RXVVDRJESA-N 1 0 352.434 2.112 20 30 FEEDRO CCC[NH+]1CCC(N2CCN(C(=O)c3ccc(F)c(C#N)c3)CC2)CC1 ZINC000375785544 330251604 /nfs/dbraw/zinc/25/16/04/330251604.db2.gz BGSULYGIYQRJFR-UHFFFAOYSA-N 1 0 358.461 2.330 20 30 FEEDRO COCC[NH+]1CCC(NC(=O)N[C@@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000416701454 330261766 /nfs/dbraw/zinc/26/17/66/330261766.db2.gz YJLFUHLDRCMMLX-LJQANCHMSA-N 1 0 356.470 2.346 20 30 FEEDRO C#C[C@H](NC(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc(Cl)cc1F ZINC000805074400 674317054 /nfs/dbraw/zinc/31/70/54/674317054.db2.gz JIQVQNXJSZTKQV-ZQIUZPCESA-N 1 0 365.836 2.316 20 30 FEEDRO CNC(=O)OC[C@H]1CCCC[N@@H+]1CCC(=O)Nc1sccc1C#N ZINC000805825398 674355792 /nfs/dbraw/zinc/35/57/92/674355792.db2.gz SZYJFKPSEIZDMF-CYBMUJFWSA-N 1 0 350.444 2.159 20 30 FEEDRO C[C@@H]1C[N@@H+](C)C[C@H](C)N1C(=O)CCC(=O)N(CCC#N)c1ccccc1 ZINC000155301689 545507913 /nfs/dbraw/zinc/50/79/13/545507913.db2.gz HLICCPWEKMZZCV-CALCHBBNSA-N 1 0 356.470 2.264 20 30 FEEDRO CN(Cc1ccc(C#N)cc1)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000156118293 545600302 /nfs/dbraw/zinc/60/03/02/545600302.db2.gz VUYMVKDGAMEXHC-WOJBJXKFSA-N 1 0 370.497 2.468 20 30 FEEDRO CCC(C)(C)[NH2+][C@H](C)C(=O)N1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000477723712 561151988 /nfs/dbraw/zinc/15/19/88/561151988.db2.gz WUEYYULXTPZWDF-LAPQFRIASA-N 1 0 354.454 2.025 20 30 FEEDRO CN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000158730291 545890818 /nfs/dbraw/zinc/89/08/18/545890818.db2.gz LFJZIYRNHHZLOR-UHFFFAOYSA-N 1 0 361.389 2.292 20 30 FEEDRO C[NH+]=C(NCc1cccnc1-n1ccnc1)N(C)Cc1cc(Cl)cn1C ZINC000158776182 545893376 /nfs/dbraw/zinc/89/33/76/545893376.db2.gz YUANYXDODXHLOO-UHFFFAOYSA-N 1 0 371.876 2.467 20 30 FEEDRO COc1c[nH+]ccc1N1CCN(C(=O)C2(c3cccc(C#N)c3)CC2)CC1 ZINC000478472273 561167822 /nfs/dbraw/zinc/16/78/22/561167822.db2.gz QMACZZHFFHCJFC-UHFFFAOYSA-N 1 0 362.433 2.342 20 30 FEEDRO COc1c[nH+]ccc1N1CCN(C(=O)CCc2ccc(C#N)cc2)CC1 ZINC000478485934 561168015 /nfs/dbraw/zinc/16/80/15/561168015.db2.gz FBCGLMGDBBYEAE-UHFFFAOYSA-N 1 0 350.422 2.243 20 30 FEEDRO C[C@H]1C[C@H](N(C)S(=O)(=O)N(C)CCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000160003490 545999959 /nfs/dbraw/zinc/99/99/59/545999959.db2.gz SAVRIAWBNAVQCG-FUHWJXTLSA-N 1 0 364.515 2.062 20 30 FEEDRO CO/N=C/c1ccc(C(=O)NC[C@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)cc1 ZINC000160628187 546058092 /nfs/dbraw/zinc/05/80/92/546058092.db2.gz BWXXUKOTZGDTIP-SYPCGMHJSA-N 1 0 367.449 2.032 20 30 FEEDRO Cn1cnc(-c2ccc(NC(=O)N(CCC#N)CCC[NH+](C)C)cc2)n1 ZINC000160650493 546059928 /nfs/dbraw/zinc/05/99/28/546059928.db2.gz HDRCGHIWOQWQOP-UHFFFAOYSA-N 1 0 355.446 2.181 20 30 FEEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CCC[N@H+](C)CC1 ZINC000162002043 546136143 /nfs/dbraw/zinc/13/61/43/546136143.db2.gz AKUWJZRUUSOBFU-AWEZNQCLSA-N 1 0 360.483 2.183 20 30 FEEDRO C[C@@H](NC(=[NH2+])NCCC(=O)N1CCOCC1)c1ccc(Cl)cc1Cl ZINC000170910138 546181657 /nfs/dbraw/zinc/18/16/57/546181657.db2.gz WVCVUWNZTAUTQG-LLVKDONJSA-N 1 0 373.284 2.208 20 30 FEEDRO COc1ccccc1CNC(=[NH2+])NCCCc1nnc2n1CCCCC2 ZINC000170913604 546182464 /nfs/dbraw/zinc/18/24/64/546182464.db2.gz SVZUGMRNLSEYBS-UHFFFAOYSA-N 1 0 356.474 2.050 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCC[C@H](C2OCCO2)C1)C(C)C ZINC000171628336 546215673 /nfs/dbraw/zinc/21/56/73/546215673.db2.gz VNWNXUNJEVEZIF-ROUUACIJSA-N 1 0 365.518 2.480 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000171725701 546221611 /nfs/dbraw/zinc/22/16/11/546221611.db2.gz RJZWYYQAYKWRNH-UHFFFAOYSA-N 1 0 370.280 2.490 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N2C[C@H](C(=O)NCCCC)CC[C@H]2C)CC1 ZINC000171741978 546222769 /nfs/dbraw/zinc/22/27/69/546222769.db2.gz APVIWSJFTAGBLW-IAGOWNOFSA-N 1 0 364.534 2.363 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@@H](C(CC)CC)N2CCOCC2)CC1 ZINC000173579632 546283523 /nfs/dbraw/zinc/28/35/23/546283523.db2.gz INKZJZZOSVRRKT-LJQANCHMSA-N 1 0 351.535 2.280 20 30 FEEDRO Cc1cc(N2CC[C@H]([NH2+][C@@H](C)c3ccc(OCC#N)cc3)C2=O)n(C)n1 ZINC000174044959 546289601 /nfs/dbraw/zinc/28/96/01/546289601.db2.gz GNACSSNORDVIMV-YOEHRIQHSA-N 1 0 353.426 2.087 20 30 FEEDRO CC(C)Cc1noc(CO[NH+]=C(N)c2ccc(N3CCC(O)CC3)cc2)n1 ZINC000174125861 546291681 /nfs/dbraw/zinc/29/16/81/546291681.db2.gz RETOATVCJPCFLR-UHFFFAOYSA-N 1 0 373.457 2.066 20 30 FEEDRO C[C@@H]1C[NH+](CCC2CCN(S(=O)(=O)CCCCC#N)CC2)C[C@@H](C)O1 ZINC000175664961 546330386 /nfs/dbraw/zinc/33/03/86/546330386.db2.gz YWIJOKUWEZOMKG-IAGOWNOFSA-N 1 0 371.547 2.221 20 30 FEEDRO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N1CCN(c2ccccc2C#N)CC1 ZINC000175859008 546363345 /nfs/dbraw/zinc/36/33/45/546363345.db2.gz ICBBLYMQNKYDGN-HXUWFJFHSA-N 1 0 370.497 2.000 20 30 FEEDRO N#Cc1cc(F)ccc1NC(=O)C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000175981096 546384441 /nfs/dbraw/zinc/38/44/41/546384441.db2.gz JRDMNGONNBPEEF-MRXNPFEDSA-N 1 0 358.417 2.113 20 30 FEEDRO N#Cc1cc(F)ccc1NC(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000175994322 546386635 /nfs/dbraw/zinc/38/66/35/546386635.db2.gz MPIOYUQWXRLABJ-MRXNPFEDSA-N 1 0 358.417 2.113 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@@H](C(=O)OC(C)(C)C)C2)CC1 ZINC000176154106 546414138 /nfs/dbraw/zinc/41/41/38/546414138.db2.gz YSJZDDKXTNVJAG-OAHLLOKOSA-N 1 0 351.491 2.400 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)NC(C)(C)c2cn(-c3ccccc3)nn2)CC1 ZINC000176267465 546425901 /nfs/dbraw/zinc/42/59/01/546425901.db2.gz FHBAOXPRUITJAB-UHFFFAOYSA-N 1 0 368.485 2.452 20 30 FEEDRO C[NH+](C)C1CCN(CCNC(=O)Nc2cc(C#N)cn2C(C)(C)C)CC1 ZINC000176505535 546455375 /nfs/dbraw/zinc/45/53/75/546455375.db2.gz OTZBDIZMAXTPNB-UHFFFAOYSA-N 1 0 360.506 2.262 20 30 FEEDRO C[C@@](CO)([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)C1CCCCC1 ZINC000177026659 546527013 /nfs/dbraw/zinc/52/70/13/546527013.db2.gz FPFMTFOOTKWEMQ-SFHVURJKSA-N 1 0 350.484 2.253 20 30 FEEDRO CC(C)(CNS(=O)(=O)Cc1ccc(C#N)cc1F)C[NH+]1CCCC1 ZINC000480757827 561216124 /nfs/dbraw/zinc/21/61/24/561216124.db2.gz MMNNMOOWIGAVAY-UHFFFAOYSA-N 1 0 353.463 2.239 20 30 FEEDRO Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000177491745 546630146 /nfs/dbraw/zinc/63/01/46/546630146.db2.gz PIXIITNRMVHROO-IAGOWNOFSA-N 1 0 368.485 2.139 20 30 FEEDRO C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)Nc2ccccc2SCCC#N)C1 ZINC000177527782 546637936 /nfs/dbraw/zinc/63/79/36/546637936.db2.gz KTFMJIFHURLCPT-CQSZACIVSA-N 1 0 360.483 2.183 20 30 FEEDRO Cc1c(C#N)cccc1NC(=O)C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000178408189 546788598 /nfs/dbraw/zinc/78/85/98/546788598.db2.gz BCHPYECKOBDTDE-HNNXBMFYSA-N 1 0 356.451 2.286 20 30 FEEDRO C=CC[C@H](CO)C[NH2+][C@H](CC)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481678198 561238505 /nfs/dbraw/zinc/23/85/05/561238505.db2.gz PHERRGJVFIZVTQ-SWLSCSKDSA-N 1 0 360.907 2.473 20 30 FEEDRO C=CCC[C@@H]([NH2+]CC(=O)N1CCN(C(=O)C2CC2)CC1)c1ccccc1 ZINC000180041889 547043128 /nfs/dbraw/zinc/04/31/28/547043128.db2.gz ZMIXEIUFRLQQNF-LJQANCHMSA-N 1 0 355.482 2.364 20 30 FEEDRO C[C@@H]([NH2+]CCC(=O)N1CCN(c2ccccn2)CC1)c1ccc(C#N)cc1 ZINC000180134327 547056621 /nfs/dbraw/zinc/05/66/21/547056621.db2.gz ZHRSIIAEXUKEAN-QGZVFWFLSA-N 1 0 363.465 2.343 20 30 FEEDRO N#CC1(c2ccc(C(=O)N3CCC[C@@H](C[NH+]4CCOCC4)C3)cc2)CC1 ZINC000180382587 547096053 /nfs/dbraw/zinc/09/60/53/547096053.db2.gz FTTAKHNJTSQZHJ-KRWDZBQOSA-N 1 0 353.466 2.426 20 30 FEEDRO CCN1CC[NH+](C[C@H](C)CNC(=O)c2ccc(C3(C#N)CC3)cc2)CC1 ZINC000180396331 547100742 /nfs/dbraw/zinc/10/07/42/547100742.db2.gz PAUMEUAHJNBFSI-QGZVFWFLSA-N 1 0 354.498 2.245 20 30 FEEDRO C[C@@H]([NH2+]C[C@@H](O)c1ccc(C#N)cc1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000180539612 547127276 /nfs/dbraw/zinc/12/72/76/547127276.db2.gz QRIFWCCPIQUQNR-AUUYWEPGSA-N 1 0 373.478 2.193 20 30 FEEDRO C[C@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1ccc(OC(F)F)cc1 ZINC000180870567 547198330 /nfs/dbraw/zinc/19/83/30/547198330.db2.gz BJAINPKAJDNATD-YOJQOHNYSA-N 1 0 351.353 2.465 20 30 FEEDRO C[C@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1cccc(OC(F)F)c1 ZINC000180875595 547200857 /nfs/dbraw/zinc/20/08/57/547200857.db2.gz DUTACGZXXGRHAK-YOJQOHNYSA-N 1 0 351.353 2.465 20 30 FEEDRO C=CCNC(=O)C[NH2+]Cc1cccc(NC(=O)c2ccc(OC)cc2)c1 ZINC000181123811 547254235 /nfs/dbraw/zinc/25/42/35/547254235.db2.gz ITMMXWZHGSSHDL-UHFFFAOYSA-N 1 0 353.422 2.339 20 30 FEEDRO C=CCc1ccccc1OC[C@H](O)C[N@H+]1C[C@@H](CC)O[C@@]2(CCOC2)C1 ZINC000483148904 561268930 /nfs/dbraw/zinc/26/89/30/561268930.db2.gz DOWQYINOUBPPMT-SBHAEUEKSA-N 1 0 361.482 2.425 20 30 FEEDRO CCc1cc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc(=O)[nH]1 ZINC000181200437 547269883 /nfs/dbraw/zinc/26/98/83/547269883.db2.gz ONYLNBFXRXPKKR-UHFFFAOYSA-N 1 0 364.449 2.157 20 30 FEEDRO C=CCc1ccccc1OC[C@H](O)C[N@H+]1C[C@H](C)O[C@]2(CCCOC2)C1 ZINC000483369675 561275117 /nfs/dbraw/zinc/27/51/17/561275117.db2.gz DWBWIURBXNSWTN-FBBABVLZSA-N 1 0 361.482 2.425 20 30 FEEDRO CC1=C(C)C[N@H+](CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)CC1 ZINC000483378526 561275234 /nfs/dbraw/zinc/27/52/34/561275234.db2.gz RGFMDQXEGDDRFP-KRWDZBQOSA-N 1 0 358.511 2.499 20 30 FEEDRO C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000181742458 547371423 /nfs/dbraw/zinc/37/14/23/547371423.db2.gz BKRNEWUZYIDOQR-JKSUJKDBSA-N 1 0 372.469 2.154 20 30 FEEDRO C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000181751944 547374633 /nfs/dbraw/zinc/37/46/33/547374633.db2.gz NEABUQJVIHWYFQ-JKSUJKDBSA-N 1 0 372.469 2.153 20 30 FEEDRO CCC(CC)[C@H](CNC(=O)C(=O)Nc1ccccc1O[C@@H](C)C#N)[NH+](C)C ZINC000181822507 547386904 /nfs/dbraw/zinc/38/69/04/547386904.db2.gz CFIDYLHPNSLOJQ-YOEHRIQHSA-N 1 0 374.485 2.399 20 30 FEEDRO COc1ccc([C@@H](CCO)[NH2+]C[C@H](O)COc2ccc(C#N)cc2)cc1 ZINC000182405580 547487562 /nfs/dbraw/zinc/48/75/62/547487562.db2.gz YTHVYVWNBFIWIU-FXAWDEMLSA-N 1 0 356.422 2.020 20 30 FEEDRO C[C@H](C#N)CNC(=O)NCCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000182591239 547518483 /nfs/dbraw/zinc/51/84/83/547518483.db2.gz BDTSEEIDSTXILM-GOSISDBHSA-N 1 0 357.502 2.043 20 30 FEEDRO C[C@H]1CCCC[N@@H+]1CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000182622637 547523924 /nfs/dbraw/zinc/52/39/24/547523924.db2.gz SCAYGSURZXQGDK-LPHOPBHVSA-N 1 0 358.461 2.409 20 30 FEEDRO COCCOC[C@H]1CC[N@@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000182814619 547555749 /nfs/dbraw/zinc/55/57/49/547555749.db2.gz IQRAJTQMQLLJCZ-PKOBYXMFSA-N 1 0 357.454 2.039 20 30 FEEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000183684832 547701277 /nfs/dbraw/zinc/70/12/77/547701277.db2.gz MRBHKTNZVWZWDS-KBPBESRZSA-N 1 0 355.442 2.232 20 30 FEEDRO C=CCC[C@@H](O)C[NH+]1CCN(c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000183706473 547704553 /nfs/dbraw/zinc/70/45/53/547704553.db2.gz CLANEHFZALDHMW-MRXNPFEDSA-N 1 0 350.459 2.162 20 30 FEEDRO CCO[C@@H]1COCC[C@H]1[NH2+][C@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000484654820 561302553 /nfs/dbraw/zinc/30/25/53/561302553.db2.gz SAVLGKNDVDSRHJ-RVKOJVRFSA-N 1 0 351.491 2.089 20 30 FEEDRO COCCOc1ccc(C#N)cc1NC(=O)N1CC[C@@H]2CC[C@H](C1)[N@@H+]2C ZINC000184618580 547855520 /nfs/dbraw/zinc/85/55/20/547855520.db2.gz ZNKFLEYHROHXQM-JKSUJKDBSA-N 1 0 358.442 2.284 20 30 FEEDRO N#Cc1cccnc1-n1cc(NC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)cn1 ZINC000184642059 547860129 /nfs/dbraw/zinc/86/01/29/547860129.db2.gz KVAABEFVJMBZPY-OAHLLOKOSA-N 1 0 365.441 2.089 20 30 FEEDRO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH2+][C@@H](C)C(=O)N(C)CCC#N ZINC000185645764 548015073 /nfs/dbraw/zinc/01/50/73/548015073.db2.gz BLYARCAGDAFYTH-PWSUYJOCSA-N 1 0 359.396 2.473 20 30 FEEDRO C[C@H](NC(=O)CNC(=O)c1ccc(C#N)cc1)[C@H](c1ccccc1)[NH+](C)C ZINC000186494906 548143415 /nfs/dbraw/zinc/14/34/15/548143415.db2.gz ROLYTDYUTXFGLK-MGPUTAFESA-N 1 0 364.449 2.096 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCN(c3cc(C4CC4)[nH]n3)CC2)CC1 ZINC000186585734 548155913 /nfs/dbraw/zinc/15/59/13/548155913.db2.gz YZWFYXQXJMHSSH-UHFFFAOYSA-N 1 0 372.517 2.159 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNS(=O)(=O)c1c(C)nn(C)c1C)C(C)C ZINC000188080137 548270377 /nfs/dbraw/zinc/27/03/77/548270377.db2.gz HRVZELDLDXTWJF-INIZCTEOSA-N 1 0 354.520 2.014 20 30 FEEDRO C=C[C@@](C)(CCOC)C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000188242021 548274526 /nfs/dbraw/zinc/27/45/26/548274526.db2.gz SYLYULBYSKTMSU-NRFANRHFSA-N 1 0 360.498 2.488 20 30 FEEDRO CCC[NH+]1CCC(N(C)C(=O)C(=O)Nc2ccccc2O[C@@H](C)C#N)CC1 ZINC000189267797 548299645 /nfs/dbraw/zinc/29/96/45/548299645.db2.gz CLFKWROXEBSSGM-HNNXBMFYSA-N 1 0 372.469 2.249 20 30 FEEDRO Cc1nc(C#N)c(N2CCC(C(=O)N3CCCC[C@H]3C[NH+](C)C)CC2)o1 ZINC000193153078 548381116 /nfs/dbraw/zinc/38/11/16/548381116.db2.gz MMVHGACPGKBSIW-INIZCTEOSA-N 1 0 359.474 2.014 20 30 FEEDRO Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)NCCC[NH+](C)C)n1 ZINC000194038548 548426688 /nfs/dbraw/zinc/42/66/88/548426688.db2.gz ZZSFORAEMYEFRS-UHFFFAOYSA-N 1 0 360.405 2.441 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cc(N3C[C@@H](C)O[C@H](C)C3)ccn2)CC1 ZINC000194608666 548505116 /nfs/dbraw/zinc/50/51/16/548505116.db2.gz PVGOFUYTRUIBCZ-IAGOWNOFSA-N 1 0 372.513 2.466 20 30 FEEDRO CCOC(=O)N1CCC[N@H+](CCC(=O)Nc2sccc2C#N)CC1 ZINC000194868570 548543389 /nfs/dbraw/zinc/54/33/89/548543389.db2.gz RZHUGNQBGQCBQA-UHFFFAOYSA-N 1 0 350.444 2.113 20 30 FEEDRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)c2cccc(CC#N)c2)CC1 ZINC000195457132 548643391 /nfs/dbraw/zinc/64/33/91/548643391.db2.gz ZLODIIHMSKYINU-QZTJIDSGSA-N 1 0 354.498 2.383 20 30 FEEDRO C=CCN(C(=O)[C@@H]1C[N@H+](C)C[C@@H]1C)[C@H](Cc1ccccc1)C(=O)OCC ZINC000487354984 561368102 /nfs/dbraw/zinc/36/81/02/561368102.db2.gz OXTCRLWTICSREQ-QXAKKESOSA-N 1 0 358.482 2.373 20 30 FEEDRO CC(C)[C@H]([NH3+])CCN(C)S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000236652177 548771237 /nfs/dbraw/zinc/77/12/37/548771237.db2.gz PBHFPRJFQKPSEY-CQSZACIVSA-N 1 0 374.304 2.315 20 30 FEEDRO COc1ccc(C[NH2+][C@@H]2CCc3nc(C)nn3C2)cc1OCCCC#N ZINC000237334977 548819521 /nfs/dbraw/zinc/81/95/21/548819521.db2.gz IEQWUDMNNPKWEL-MRXNPFEDSA-N 1 0 355.442 2.382 20 30 FEEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]C[C@@]2(N3CCOCC3)CCSC2)cc1 ZINC000237490655 548829437 /nfs/dbraw/zinc/82/94/37/548829437.db2.gz RMJZTWAHJZZJRA-LPHOPBHVSA-N 1 0 361.511 2.275 20 30 FEEDRO COCCOC[C@@H]1CC[N@@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000245519547 548938294 /nfs/dbraw/zinc/93/82/94/548938294.db2.gz IQRAJTQMQLLJCZ-MJGOQNOKSA-N 1 0 357.454 2.039 20 30 FEEDRO C[N@@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)C[C@H]1CCCC[C@H]1O ZINC000245534343 548941127 /nfs/dbraw/zinc/94/11/27/548941127.db2.gz DUWXASXDPMDEKR-CRAIPNDOSA-N 1 0 367.453 2.165 20 30 FEEDRO C[C@H](C(=O)Nc1ccccc1C#N)N1CC[C@@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000245583221 548951445 /nfs/dbraw/zinc/95/14/45/548951445.db2.gz DDMFEKWVWDWQCO-SIXWZSSISA-N 1 0 366.465 2.361 20 30 FEEDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)CCCC(=O)Nc1ccccc1C#N ZINC000245674179 548971995 /nfs/dbraw/zinc/97/19/95/548971995.db2.gz FYABDARGMGFWDN-MAUKXSAKSA-N 1 0 356.470 2.466 20 30 FEEDRO COC(=O)[C@H](c1cccc(C#N)c1)N1CC[C@@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000245778930 548993546 /nfs/dbraw/zinc/99/35/46/548993546.db2.gz LXXGMNDSGURKJB-HQRMLTQVSA-N 1 0 367.449 2.248 20 30 FEEDRO CC1(C)[C@@H]2C[N@@H+](CC(=O)N3CCN([C@H](C#N)c4cccs4)CC3)C[C@@H]21 ZINC000245847054 549002668 /nfs/dbraw/zinc/00/26/68/549002668.db2.gz LNTOFHJLUBJDRZ-OWCLPIDISA-N 1 0 358.511 2.045 20 30 FEEDRO N#CC1(NC(=O)C[N@H+](C[C@H]2CCCO2)[C@H]2CCSC2)CCCCC1 ZINC000245884241 549010178 /nfs/dbraw/zinc/01/01/78/549010178.db2.gz NPLLXDUOPRMCQO-JKSUJKDBSA-N 1 0 351.516 2.316 20 30 FEEDRO C=CCC[C@H](O)C[N@@H+]1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000246008906 549035830 /nfs/dbraw/zinc/03/58/30/549035830.db2.gz KOFNPDXQITWDRX-PMACEKPBSA-N 1 0 358.530 2.243 20 30 FEEDRO COc1ccc(C#N)cc1NC(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000488341833 561388372 /nfs/dbraw/zinc/38/83/72/561388372.db2.gz ARXHBNXAZPVSCJ-CQSZACIVSA-N 1 0 358.442 2.284 20 30 FEEDRO N#C[C@H]1CN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCO1 ZINC000246705857 549192648 /nfs/dbraw/zinc/19/26/48/549192648.db2.gz YZONBTGVCFXSQD-IPQPSQTFSA-N 1 0 354.454 2.116 20 30 FEEDRO C=CC[C@H](C)NC(=O)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000246925458 549243561 /nfs/dbraw/zinc/24/35/61/549243561.db2.gz BLFPLCBEYJLEDO-MAUKXSAKSA-N 1 0 358.486 2.148 20 30 FEEDRO C[NH+]=C(NCc1ccco1)NC[C@H](c1cccs1)N1CCO[C@H](C)C1 ZINC000246946938 549248254 /nfs/dbraw/zinc/24/82/54/549248254.db2.gz PBRMKLPJIBTTRC-GDBMZVCRSA-N 1 0 362.499 2.468 20 30 FEEDRO C=CCn1cccc1C(=O)N1CCC(C(=O)NCCC[NH+](CC)CC)CC1 ZINC000488964703 561400553 /nfs/dbraw/zinc/40/05/53/561400553.db2.gz BAPMMCNITAJEQN-UHFFFAOYSA-N 1 0 374.529 2.374 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+](C)C[C@H]1CCN(C(C)=O)C1 ZINC000247179873 549294803 /nfs/dbraw/zinc/29/48/03/549294803.db2.gz YCAVZBUUPXQEET-DOTOQJQBSA-N 1 0 363.527 2.451 20 30 FEEDRO Cc1ncc(S(=O)(=O)N(CC(C)C)C2CC[NH+](C)CC2)cc1C#N ZINC000489095872 561403200 /nfs/dbraw/zinc/40/32/00/561403200.db2.gz CQGBGONFAGRGKU-UHFFFAOYSA-N 1 0 350.488 2.003 20 30 FEEDRO CC[NH+](CC)CCN(CC(C)C)S(=O)(=O)c1cnc(C)c(C#N)c1 ZINC000489129669 561404129 /nfs/dbraw/zinc/40/41/29/561404129.db2.gz ZJGNOGIYGITSOK-UHFFFAOYSA-N 1 0 352.504 2.250 20 30 FEEDRO C[N@@H+]1CCC[C@H]2CN(S(=O)(=O)c3cc(C#N)ccc3Cl)CC[C@H]21 ZINC000248051796 549403763 /nfs/dbraw/zinc/40/37/63/549403763.db2.gz WLEMFKHXKURYDG-DZGCQCFKSA-N 1 0 353.875 2.316 20 30 FEEDRO N#Cc1ccc(N2CCC[C@H]([N@@H+]3CCS[C@@H]4COCC[C@H]43)C2=O)cc1 ZINC000248732418 549492984 /nfs/dbraw/zinc/49/29/84/549492984.db2.gz JUOLYFLFSUAARE-FGTMMUONSA-N 1 0 357.479 2.260 20 30 FEEDRO CC(C)[NH+]1CCC(N2CCN(C(=O)c3cccc(F)c3C#N)CC2)CC1 ZINC000489686804 561417031 /nfs/dbraw/zinc/41/70/31/561417031.db2.gz XIIYYDDVPZBTCC-UHFFFAOYSA-N 1 0 358.461 2.328 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1F ZINC000489806010 561419432 /nfs/dbraw/zinc/41/94/32/561419432.db2.gz PJDZWLJXXNWWPX-MRXNPFEDSA-N 1 0 373.453 2.498 20 30 FEEDRO CC[S@](=O)[C@@H]1CCC[C@H](NC(NCc2ccc3c(c2)OCO3)=[NH+]C)C1 ZINC000261669741 549740467 /nfs/dbraw/zinc/74/04/67/549740467.db2.gz GPUKVNCYYHJMNB-AYNSBQOLSA-N 1 0 365.499 2.160 20 30 FEEDRO C[NH+]=C(NCc1nc(C(C)(C)C)cs1)N1CCC[C@H](CC(N)=O)C1 ZINC000261737974 549749686 /nfs/dbraw/zinc/74/96/86/549749686.db2.gz KHBXPWFRKWDMSL-GFCCVEGCSA-N 1 0 351.520 2.103 20 30 FEEDRO C[NH+]=C(NCc1cccc(N(C)C)n1)N[C@@H]1CCN(c2ccccc2)C1 ZINC000261768127 549753371 /nfs/dbraw/zinc/75/33/71/549753371.db2.gz OZCNZKRYGOEMGQ-QGZVFWFLSA-N 1 0 352.486 2.092 20 30 FEEDRO C[NH+]=C(N[C@@H]1[C@H]2CCO[C@H]2C1(C)C)N[C@@H]1CCN(c2ccccc2OC)C1 ZINC000261954223 549773789 /nfs/dbraw/zinc/77/37/89/549773789.db2.gz IGAWNARLMXIZBN-OHDICMOHSA-N 1 0 372.513 2.252 20 30 FEEDRO Cc1ccsc1CNC(NC[C@@H]1CCS(=O)(=O)C1)=[NH+]C1CCCC1 ZINC000262472718 549822953 /nfs/dbraw/zinc/82/29/53/549822953.db2.gz ZGZFSJRVRZNNGL-AWEZNQCLSA-N 1 0 369.556 2.469 20 30 FEEDRO C[NH+]=C(NCc1ncccc1C)N[C@@H]1CCN(c2cccc(OC)c2)C1 ZINC000262806490 549851740 /nfs/dbraw/zinc/85/17/40/549851740.db2.gz SVTRQAFPCCOJIT-MRXNPFEDSA-N 1 0 353.470 2.343 20 30 FEEDRO C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCC(C(=O)Nc2cccc(F)c2)CC1 ZINC000263707692 549923056 /nfs/dbraw/zinc/92/30/56/549923056.db2.gz MORXCGVZHVTJTK-AWEZNQCLSA-N 1 0 360.433 2.237 20 30 FEEDRO COc1ccc(NC(=[NH2+])NC[C@@H](CO)Cc2ccc(F)cc2)cc1OC ZINC000264077165 549976067 /nfs/dbraw/zinc/97/60/67/549976067.db2.gz GCRRWLPPQOZLCZ-AWEZNQCLSA-N 1 0 361.417 2.421 20 30 FEEDRO COc1ccc(NC(=[NH2+])NCCN2CCc3ccccc3C2)cc1OC ZINC000264114932 549980638 /nfs/dbraw/zinc/98/06/38/549980638.db2.gz SEQKPVIPFLSQKQ-UHFFFAOYSA-N 1 0 354.454 2.489 20 30 FEEDRO CC[C@H](C)NC(=[NH2+])NCc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000264127171 549982285 /nfs/dbraw/zinc/98/22/85/549982285.db2.gz WUDYYQYOXQNCSQ-AWEZNQCLSA-N 1 0 352.504 2.064 20 30 FEEDRO COC[C@@H](C)NC(=[NH2+])NC[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000264134225 549983458 /nfs/dbraw/zinc/98/34/58/549983458.db2.gz ZDHTXSVTVHMEEB-OLZOCXBDSA-N 1 0 369.307 2.215 20 30 FEEDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000490975270 561441183 /nfs/dbraw/zinc/44/11/83/561441183.db2.gz UVHWUTGDWJPJEI-NVXWUHKLSA-N 1 0 359.474 2.236 20 30 FEEDRO COC[C@@H](C)NC(=[NH2+])NCc1cc(Br)ccc1OC(F)F ZINC000264155830 549986009 /nfs/dbraw/zinc/98/60/09/549986009.db2.gz AISZWJGJUWDJLO-MRVPVSSYSA-N 1 0 366.206 2.490 20 30 FEEDRO COc1ccc(CCNC(=[NH2+])NCCOc2cccc(NC(C)=O)c2)cc1 ZINC000264272391 549993662 /nfs/dbraw/zinc/99/36/62/549993662.db2.gz MCTJKWGPYSLTBT-UHFFFAOYSA-N 1 0 370.453 2.179 20 30 FEEDRO CN(C)C(=[NH+]CCCNC(=O)c1cccc(Br)c1)N(C)C ZINC000264302324 549993920 /nfs/dbraw/zinc/99/39/20/549993920.db2.gz RZOODKPGJPNXTN-UHFFFAOYSA-N 1 0 355.280 2.048 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)NCC(C)(C)c2ccc(OC)c(OC)c2)CC1 ZINC000264285316 549993967 /nfs/dbraw/zinc/99/39/67/549993967.db2.gz GHTUKJYIVKZYAM-UHFFFAOYSA-N 1 0 358.482 2.443 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2ccccc2Cn2cncn2)CC1 ZINC000264322359 549994788 /nfs/dbraw/zinc/99/47/88/549994788.db2.gz BMGNZLBNNQKURA-UHFFFAOYSA-N 1 0 368.485 2.166 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(CS(C)(=O)=O)cc2)CC1 ZINC000264418856 549996126 /nfs/dbraw/zinc/99/61/26/549996126.db2.gz SWNHPACGXKCYOV-UHFFFAOYSA-N 1 0 365.499 2.393 20 30 FEEDRO N#CC1(C(=O)N2CCC([N@@H+]3CCc4ccccc4C3)CC2)CCOCC1 ZINC000264552872 549998030 /nfs/dbraw/zinc/99/80/30/549998030.db2.gz ZEUGOUQZTWTFIK-UHFFFAOYSA-N 1 0 353.466 2.356 20 30 FEEDRO COc1cccc([C@@H](CNS(=O)(=O)CCCC#N)[NH+]2CCCC2)c1 ZINC000264725480 550000482 /nfs/dbraw/zinc/00/04/82/550000482.db2.gz OJVPQBHBEKSRNJ-QGZVFWFLSA-N 1 0 351.472 2.055 20 30 FEEDRO CNC(=O)[C@H]1CCC[N@@H+]([C@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)C1 ZINC000264735127 550000961 /nfs/dbraw/zinc/00/09/61/550000961.db2.gz QIEOVSIBOGYLBF-SJORKVTESA-N 1 0 356.470 2.088 20 30 FEEDRO C=C(C)COc1cc(C[NH2+]CCNC(=O)C2N=CC=CC2=O)ccc1OC ZINC000264938880 550004324 /nfs/dbraw/zinc/00/43/24/550004324.db2.gz FENWKDZJICHEKV-VXPUYCOJSA-N 1 0 371.437 2.266 20 30 FEEDRO C=CCc1ccc(OC[C@H](O)CN2CC[C@@H](C[N@@H+](C)CC)C2)c(OC)c1 ZINC000266642816 550022680 /nfs/dbraw/zinc/02/26/80/550022680.db2.gz UZHGNWOWFILPEC-RBUKOAKNSA-N 1 0 362.514 2.437 20 30 FEEDRO N#CCCN(CCC#N)C(=O)C[N@@H+](CCCO)[C@H]1CCCc2ccccc21 ZINC000266848383 550024466 /nfs/dbraw/zinc/02/44/66/550024466.db2.gz BHBSINUPRTUBHW-FQEVSTJZSA-N 1 0 368.481 2.404 20 30 FEEDRO Cc1ccc(CNC(=O)CON=C(N)c2ccc(C[NH+](C)C)cc2)cc1 ZINC000267009266 550026392 /nfs/dbraw/zinc/02/63/92/550026392.db2.gz LTOYDOGZUBTBJY-UHFFFAOYSA-N 1 0 354.454 2.010 20 30 FEEDRO Cc1ccc(-n2nc(CCC[NH+]=C(N(C)C)N(C)C)c(C#N)c2N)cc1 ZINC000267398214 550030853 /nfs/dbraw/zinc/03/08/53/550030853.db2.gz FLXXDQYMQFBLES-UHFFFAOYSA-N 1 0 353.474 2.046 20 30 FEEDRO N#Cc1c(N)n(-c2ccccc2)nc1CCCNC(=[NH2+])NC1CCCCC1 ZINC000267424178 550030959 /nfs/dbraw/zinc/03/09/59/550030959.db2.gz LECPJBPKVQVGFJ-UHFFFAOYSA-N 1 0 365.485 2.496 20 30 FEEDRO N#Cc1c(N)n(-c2ccc(F)cc2)nc1CCCNC(=[NH2+])NC1CCCC1 ZINC000267461482 550031844 /nfs/dbraw/zinc/03/18/44/550031844.db2.gz VIBKJHKMRQUILT-UHFFFAOYSA-N 1 0 369.448 2.245 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)c2cc(-c3ccc(OC)c(OC)c3)n[nH]2)CC1 ZINC000267540101 550033041 /nfs/dbraw/zinc/03/30/41/550033041.db2.gz AAIZHSLJHSIKJU-UHFFFAOYSA-N 1 0 370.453 2.474 20 30 FEEDRO CC#CCN(C)C(=O)C(=O)Nc1ccc2c(ccn2CC[NH+](CC)CC)c1 ZINC000492179010 561449914 /nfs/dbraw/zinc/44/99/14/561449914.db2.gz AFXPCGPGEROFMJ-UHFFFAOYSA-N 1 0 368.481 2.403 20 30 FEEDRO COc1ccc(C#N)cc1NC(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000269103527 550155439 /nfs/dbraw/zinc/15/54/39/550155439.db2.gz GOHDRRPUVSXXKS-IAGOWNOFSA-N 1 0 358.442 2.066 20 30 FEEDRO C[NH+](C)C[C@H]1CCCN1S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000269366598 550186045 /nfs/dbraw/zinc/18/60/45/550186045.db2.gz RCYGAEYTNYFIKQ-CYBMUJFWSA-N 1 0 372.288 2.035 20 30 FEEDRO CC(C)Oc1ccc(NC(=O)C(=O)N2CCC[N@@H+](C(C)C)CC2)cc1C#N ZINC000269397489 550190345 /nfs/dbraw/zinc/19/03/45/550190345.db2.gz UPJPOUJLGXRASS-UHFFFAOYSA-N 1 0 372.469 2.227 20 30 FEEDRO N#Cc1ccc(NC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(F)c1 ZINC000269611855 550210629 /nfs/dbraw/zinc/21/06/29/550210629.db2.gz YQOLJEHFMZWQPD-RDTXWAMCSA-N 1 0 370.428 2.111 20 30 FEEDRO N#Cc1ccc(CNC(=O)CN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000269699954 550218380 /nfs/dbraw/zinc/21/83/80/550218380.db2.gz YCEJWVUBSYBOTQ-ICSRJNTNSA-N 1 0 352.482 2.123 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CC[C@H](N2CCCC2=O)C1 ZINC000270899101 550318539 /nfs/dbraw/zinc/31/85/39/550318539.db2.gz MHLACTULTYEPOU-HOTGVXAUSA-N 1 0 361.511 2.348 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC(CCC(N)=O)CC1)C(C)C ZINC000271104529 550341031 /nfs/dbraw/zinc/34/10/31/550341031.db2.gz ZJGIRUOZEXDARA-GOSISDBHSA-N 1 0 364.534 2.372 20 30 FEEDRO C=CCNC(=O)C[NH2+][C@@H]1CC(=O)N(C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000494204013 561464481 /nfs/dbraw/zinc/46/44/81/561464481.db2.gz GYIOBHXXDUORAN-CRAIPNDOSA-N 1 0 367.852 2.421 20 30 FEEDRO COCc1cc([C@@H](C)[NH2+]CCNC(=O)C2N=CC=CC2=O)ccc1OC ZINC000271445012 550375959 /nfs/dbraw/zinc/37/59/59/550375959.db2.gz HCPGSMBBCYERQJ-LTFJSZEESA-N 1 0 359.426 2.019 20 30 FEEDRO COc1ccccc1[C@@H](C)[NH2+]CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1 ZINC000271622869 550390597 /nfs/dbraw/zinc/39/05/97/550390597.db2.gz FLGIXLOBWLIPII-AEFFLSMTSA-N 1 0 358.486 2.038 20 30 FEEDRO C[C@@H]([NH2+]CC(=O)Nc1sc2c(c1C(N)=O)CCC2)c1ccc(C#N)cc1 ZINC000271646832 550392427 /nfs/dbraw/zinc/39/24/27/550392427.db2.gz IGLZSBKVLOTICH-LLVKDONJSA-N 1 0 368.462 2.497 20 30 FEEDRO C#CC[C@@H]([NH2+]Cc1cc(=O)n2ncc(C(=O)OCC)c2[nH]1)c1ccccc1 ZINC000271658654 550393402 /nfs/dbraw/zinc/39/34/02/550393402.db2.gz CSBALVGECWIFRV-QGZVFWFLSA-N 1 0 364.405 2.466 20 30 FEEDRO C=CCNC(=O)c1ccc(NC(=O)N2C[C@@H](SC)[C@H]([NH+](C)C)C2)cc1 ZINC000272329595 550438386 /nfs/dbraw/zinc/43/83/86/550438386.db2.gz KBKAUVKYJAWWGC-HZPDHXFCSA-N 1 0 362.499 2.112 20 30 FEEDRO C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)N1CCC(C)(C#N)CC1 ZINC000272619717 550461125 /nfs/dbraw/zinc/46/11/25/550461125.db2.gz UORPPRUWURCOJX-MJGOQNOKSA-N 1 0 354.498 2.391 20 30 FEEDRO C[C@H](C#N)Oc1ccccc1NC(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000272663058 550463883 /nfs/dbraw/zinc/46/38/83/550463883.db2.gz IBDFNBMYHYRDLV-ZTFGCOKTSA-N 1 0 372.469 2.477 20 30 FEEDRO CS[C@H]1CN(C(=O)Nc2ncccc2OCCCC#N)C[C@H]1[NH+](C)C ZINC000276120094 550576985 /nfs/dbraw/zinc/57/69/85/550576985.db2.gz WPHJZUFECQMICK-HIFRSBDPSA-N 1 0 363.487 2.273 20 30 FEEDRO CCCN(CCC[NH+](C)C)C(=O)C(=O)Nc1cccc(OCCCC#N)c1 ZINC000276165712 550577244 /nfs/dbraw/zinc/57/72/44/550577244.db2.gz AQYJPFURTAOVIW-UHFFFAOYSA-N 1 0 374.485 2.498 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@H](N2CCCC2=O)C1)C(C)C ZINC000276661641 550582774 /nfs/dbraw/zinc/58/27/74/550582774.db2.gz QLXWSPQHQDFRCO-ZWKOTPCHSA-N 1 0 362.518 2.091 20 30 FEEDRO Cc1noc(C[C@H]([NH2+]CC(=O)N[C@](C)(C#N)C2CC2)c2ccccc2)n1 ZINC000277054481 550626817 /nfs/dbraw/zinc/62/68/17/550626817.db2.gz CQNXUHFWPOYVCK-QFBILLFUSA-N 1 0 353.426 2.060 20 30 FEEDRO C[NH+](C)[C@H]1CCCN(C(=O)C(=O)Nc2cccc(OCCCC#N)c2)CC1 ZINC000277135259 550635974 /nfs/dbraw/zinc/63/59/74/550635974.db2.gz PDZKFMXJQRAATE-KRWDZBQOSA-N 1 0 372.469 2.250 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc(F)cc2n[nH]nc21 ZINC000277538395 550681887 /nfs/dbraw/zinc/68/18/87/550681887.db2.gz VFESXNFSIJTXRT-UHFFFAOYSA-N 1 0 366.400 2.173 20 30 FEEDRO CC(C)(C#N)CCCC[NH+]1CCN(c2cc(N3CCOCC3)ncn2)CC1 ZINC000277746831 550709378 /nfs/dbraw/zinc/70/93/78/550709378.db2.gz PGXOHQGBYJXPGD-UHFFFAOYSA-N 1 0 372.517 2.155 20 30 FEEDRO C#CC[C@@H](NC(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1)c1ccccc1 ZINC000277837163 550719967 /nfs/dbraw/zinc/71/99/67/550719967.db2.gz XTFFFQNZNXPGNL-OAQYLSRUSA-N 1 0 368.525 2.420 20 30 FEEDRO CCn1nccc1[C@@H]1OCC[C@H]1CNC(=[NH2+])Nc1ccc(OC)c(OC)c1 ZINC000278033696 550741165 /nfs/dbraw/zinc/74/11/65/550741165.db2.gz RIIYDYTZAXBARF-SCLBCKFNSA-N 1 0 373.457 2.425 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CCCN(c3cc(C)nn3C)C2)CC1 ZINC000278085966 550747204 /nfs/dbraw/zinc/74/72/04/550747204.db2.gz XNPZDZQNONYSJC-GOSISDBHSA-N 1 0 374.533 2.037 20 30 FEEDRO N#CCCn1cc(C[NH2+]CCC(=O)N2CCCCC2)c(-c2ccncc2)n1 ZINC000278782965 550821363 /nfs/dbraw/zinc/82/13/63/550821363.db2.gz ZKCYBZTUTNFNIR-UHFFFAOYSA-N 1 0 366.469 2.351 20 30 FEEDRO C[C@@H]1C[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@]2(CCOC2)O1 ZINC000280333329 550981833 /nfs/dbraw/zinc/98/18/33/550981833.db2.gz HUOBDUJBMNNMEH-ACJLOTCBSA-N 1 0 363.845 2.420 20 30 FEEDRO Cc1oc(C#N)cc1C(=O)NC[C@@H](C)N1CCN(c2ccccc2)CC1 ZINC000280611412 551013226 /nfs/dbraw/zinc/01/32/26/551013226.db2.gz QLAZSBXQAMLHKN-OAHLLOKOSA-N 1 0 352.438 2.400 20 30 FEEDRO C=CCN1CC[C@H]([NH2+][C@@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)c(F)c2)C1=O ZINC000280930190 551046459 /nfs/dbraw/zinc/04/64/59/551046459.db2.gz DVXYUGXASUCNQA-ZMSDIMECSA-N 1 0 365.836 2.127 20 30 FEEDRO NC(=NOCc1cncc(F)c1)c1ccccc1C[NH+]1CCC(O)CC1 ZINC000280933001 551046840 /nfs/dbraw/zinc/04/68/40/551046840.db2.gz IGGDFLMACUWJFG-UHFFFAOYSA-N 1 0 358.417 2.015 20 30 FEEDRO N#CCOc1ccc(C[NH+]2CCC(CNC(=O)C(F)(F)F)CC2)cc1 ZINC000281321553 551084189 /nfs/dbraw/zinc/08/41/89/551084189.db2.gz LGGSPNQGTZYDAW-UHFFFAOYSA-N 1 0 355.360 2.479 20 30 FEEDRO C#CC[C@@H]([NH2+]Cc1c(C)nn(CCS(C)(=O)=O)c1C)c1ccccc1 ZINC000281376588 551089846 /nfs/dbraw/zinc/08/98/46/551089846.db2.gz UGGDAQAUGGSLHB-LJQANCHMSA-N 1 0 359.495 2.399 20 30 FEEDRO C=CCn1c(-c2ccccc2)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC000282329953 551212547 /nfs/dbraw/zinc/21/25/47/551212547.db2.gz QUNSLACJYFRQSG-UHFFFAOYSA-N 1 0 353.470 2.432 20 30 FEEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@H+](C)CCOCCO)sc2C1 ZINC000282489648 551236362 /nfs/dbraw/zinc/23/63/62/551236362.db2.gz MYWQSSNWEVCYNG-ZDUSSCGKSA-N 1 0 365.499 2.014 20 30 FEEDRO COCC[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)C1 ZINC000282570202 551247473 /nfs/dbraw/zinc/24/74/73/551247473.db2.gz AZZRSDPWLMFHPG-CYBMUJFWSA-N 1 0 372.347 2.299 20 30 FEEDRO C=CCn1c(C(=O)N2CCCC2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC000282705970 551261991 /nfs/dbraw/zinc/26/19/91/551261991.db2.gz VGZNCJHMAMXTNR-UHFFFAOYSA-N 1 0 374.533 2.258 20 30 FEEDRO C[C@](C#N)(NC(=O)C[NH2+][C@]1(Cc2ccc(Cl)cc2)CCOC1)C1CC1 ZINC000282722810 551263470 /nfs/dbraw/zinc/26/34/70/551263470.db2.gz MCCIKMAYKRHWMZ-MOPGFXCFSA-N 1 0 361.873 2.440 20 30 FEEDRO CCOc1ccc(C#N)cc1NC(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000282864553 551279519 /nfs/dbraw/zinc/27/95/19/551279519.db2.gz YACFHMQYAIEWNY-UHFFFAOYSA-N 1 0 359.474 2.104 20 30 FEEDRO C#Cc1cc(F)c(NC(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)c(F)c1 ZINC000283234477 551333662 /nfs/dbraw/zinc/33/36/62/551333662.db2.gz KEOTVYMGBPATDD-HNNXBMFYSA-N 1 0 365.424 2.367 20 30 FEEDRO C=CCN1CC[C@H](ON=C(N)c2cccc(C[NH+]3CCCCC3)c2)C1=O ZINC000283581671 551391607 /nfs/dbraw/zinc/39/16/07/551391607.db2.gz RFIPSPCFGLKMJD-SFHVURJKSA-N 1 0 356.470 2.096 20 30 FEEDRO C=CCN(CCc1ccco1)C(=O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000283608360 551395814 /nfs/dbraw/zinc/39/58/14/551395814.db2.gz PXCAXXKOXWIISM-UHFFFAOYSA-N 1 0 361.486 2.262 20 30 FEEDRO C=C(C)Cn1c(C(=O)NC(C)C)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC000283718478 551415565 /nfs/dbraw/zinc/41/55/65/551415565.db2.gz XFLWQEWUDHDZQT-UHFFFAOYSA-N 1 0 374.533 2.447 20 30 FEEDRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)c2cc(C#N)ccn2)CC1 ZINC000283725474 551417103 /nfs/dbraw/zinc/41/71/03/551417103.db2.gz LGPUZROQSBPDDL-UHFFFAOYSA-N 1 0 363.465 2.021 20 30 FEEDRO CC[NH+](CC)[C@H](CNC(=O)C(=O)NCCCCC#N)c1cccc(OC)c1 ZINC000283884320 551443740 /nfs/dbraw/zinc/44/37/40/551443740.db2.gz DCWOVCGMGKTKFX-GOSISDBHSA-N 1 0 374.485 2.004 20 30 FEEDRO CC(C)N(Cc1ccc(C#N)cc1)C(=O)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000283947928 551455380 /nfs/dbraw/zinc/45/53/80/551455380.db2.gz LAAWHMMRBYOAKI-UHFFFAOYSA-N 1 0 368.481 2.038 20 30 FEEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)C(=O)NCCCCC#N)cc1 ZINC000284441443 551549930 /nfs/dbraw/zinc/54/99/30/551549930.db2.gz LPBMQKGWIAYEGW-QGZVFWFLSA-N 1 0 370.497 2.487 20 30 FEEDRO C=CCN1C(=O)c2ccc(C(=O)NCCCC[NH+](CC)CC)cc2C1=O ZINC000498341883 561522687 /nfs/dbraw/zinc/52/26/87/561522687.db2.gz BKTHJZRRBIQWRB-UHFFFAOYSA-N 1 0 357.454 2.320 20 30 FEEDRO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)C(=O)NCCCCC#N)cc2)C1 ZINC000284577256 551581407 /nfs/dbraw/zinc/58/14/07/551581407.db2.gz VFBUHQMEWSOPPX-QGZVFWFLSA-N 1 0 370.497 2.345 20 30 FEEDRO Cc1onc(CC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)c1C#N ZINC000498505330 561526192 /nfs/dbraw/zinc/52/61/92/561526192.db2.gz TVHBONFDTDELGG-UHFFFAOYSA-N 1 0 356.401 2.317 20 30 FEEDRO Cc1[nH]c(=O)c(Br)cc1C(=O)N(CCC#N)CCC[NH+](C)C ZINC000285056693 551698024 /nfs/dbraw/zinc/69/80/24/551698024.db2.gz KIJUETVALCOEIG-UHFFFAOYSA-N 1 0 369.263 2.166 20 30 FEEDRO C[NH+]1CCN(c2cc(CNC(=O)c3cc(C#N)ccc3Cl)ccn2)CC1 ZINC000285272789 551730172 /nfs/dbraw/zinc/73/01/72/551730172.db2.gz YMVGXULPVPJIGH-UHFFFAOYSA-N 1 0 369.856 2.288 20 30 FEEDRO C=CCCCCNC(=O)C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000285787636 551810749 /nfs/dbraw/zinc/81/07/49/551810749.db2.gz LVNQPGLWARPVED-LJQANCHMSA-N 1 0 357.498 2.140 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCCOc3ccccc32)CC1 ZINC000285827228 551815826 /nfs/dbraw/zinc/81/58/26/551815826.db2.gz GAACPEWDLJYSDN-SFHVURJKSA-N 1 0 371.481 2.173 20 30 FEEDRO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000499069384 561542585 /nfs/dbraw/zinc/54/25/85/561542585.db2.gz LVLASTYHGAPMNG-YZVOILCLSA-N 1 0 354.458 2.361 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H]2c2ccccc2C)CC1 ZINC000286372925 551880156 /nfs/dbraw/zinc/88/01/56/551880156.db2.gz CNEBYRIBQXLATK-LJQANCHMSA-N 1 0 355.482 2.425 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@H](C)Oc2cccc(C)c2)CC1 ZINC000286646346 551910166 /nfs/dbraw/zinc/91/01/66/551910166.db2.gz NENROOFCNGVVBT-KRWDZBQOSA-N 1 0 373.497 2.035 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H]2c2ccc(F)cc2)CC1 ZINC000286761258 551922980 /nfs/dbraw/zinc/92/29/80/551922980.db2.gz UEGMAXFMZKESED-SFHVURJKSA-N 1 0 359.445 2.256 20 30 FEEDRO C#CC[C@H](Cc1ccccc1)NC(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000287231544 551979211 /nfs/dbraw/zinc/97/92/11/551979211.db2.gz FZYPKRQFLCNQBO-NJYVYQBISA-N 1 0 369.509 2.298 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H](c2ccccc2)C2CCC2)CC1 ZINC000287698608 552035653 /nfs/dbraw/zinc/03/56/53/552035653.db2.gz KHGXRECDOQAXJR-IBGZPJMESA-N 1 0 355.482 2.411 20 30 FEEDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)C(=O)Nc1ccc(Cl)c(C#N)c1 ZINC000288144842 552099296 /nfs/dbraw/zinc/09/92/96/552099296.db2.gz LRMKEMOKXXSIFF-LRDDRELGSA-N 1 0 360.845 2.235 20 30 FEEDRO C=CCCCNC(=O)C(=O)NC1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000288164384 552102728 /nfs/dbraw/zinc/10/27/28/552102728.db2.gz MEZIRXPOFDQSIF-IAGOWNOFSA-N 1 0 357.498 2.342 20 30 FEEDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)C(=O)Nc1cc(C#N)ccc1Cl ZINC000288327092 552133954 /nfs/dbraw/zinc/13/39/54/552133954.db2.gz XXYYXWDAGHHRCW-WBMJQRKESA-N 1 0 360.845 2.235 20 30 FEEDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1ccc(-n2ncc(C#N)c2N)cc1 ZINC000499723325 561556969 /nfs/dbraw/zinc/55/69/69/561556969.db2.gz OTTSSAFUNSOJHW-KRWDZBQOSA-N 1 0 366.469 2.320 20 30 FEEDRO CC[N@@H+]1CCN(C(=O)C2CCN(c3ccc(C#N)cc3F)CC2)[C@@H](C)C1 ZINC000288350975 552138517 /nfs/dbraw/zinc/13/85/17/552138517.db2.gz JBLYGLDNEDOESM-HNNXBMFYSA-N 1 0 358.461 2.466 20 30 FEEDRO C=CCN1CC[C@@H]([N@H+](C)C[C@H](O)COc2cc(Cl)ccc2Cl)C1=O ZINC000499994850 561563540 /nfs/dbraw/zinc/56/35/40/561563540.db2.gz HTQLGYQRSVKSLA-DZGCQCFKSA-N 1 0 373.280 2.452 20 30 FEEDRO C=C(C)CN(CC)C(=O)C(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 ZINC000289051378 552258588 /nfs/dbraw/zinc/25/85/88/552258588.db2.gz BZYVBDKCLNYJGW-SJORKVTESA-N 1 0 365.424 2.251 20 30 FEEDRO Cn1cc(C#N)c(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCC2(F)F)n1 ZINC000289084774 552263437 /nfs/dbraw/zinc/26/34/37/552263437.db2.gz CITYOSACBSNIQV-HNNXBMFYSA-N 1 0 359.380 2.388 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccc(S(C)(=O)=O)c(C)c2)CC1 ZINC000500253324 561568871 /nfs/dbraw/zinc/56/88/71/561568871.db2.gz XTXFCBZIAGVTET-UHFFFAOYSA-N 1 0 351.472 2.170 20 30 FEEDRO CN(CCC#N)C(=O)CC[NH2+][C@@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000289452016 552324024 /nfs/dbraw/zinc/32/40/24/552324024.db2.gz UVYIYQQQWCLQFI-SJLPKXTDSA-N 1 0 350.413 2.062 20 30 FEEDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NS(=O)(=O)c1cncc(C#N)c1 ZINC000289629930 552352379 /nfs/dbraw/zinc/35/23/79/552352379.db2.gz ZPRUDNQACSOQOD-KXBFYZLASA-N 1 0 370.478 2.142 20 30 FEEDRO C[C@@H]([NH2+]C(C)(C)CNS(=O)(=O)c1cncc(C#N)c1)c1ccccc1 ZINC000289765628 552374996 /nfs/dbraw/zinc/37/49/96/552374996.db2.gz KZFATDBLNCSMDO-CQSZACIVSA-N 1 0 358.467 2.361 20 30 FEEDRO Cn1cc(CN2CCN([C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)cc1C#N ZINC000290102729 552427943 /nfs/dbraw/zinc/42/79/43/552427943.db2.gz HSQUCXBSWDLJBC-QGZVFWFLSA-N 1 0 373.501 2.024 20 30 FEEDRO Cc1ccc([C@@H](CNC(=O)C(=O)Nc2ccc(C#N)c(F)c2)[NH+](C)C)cc1 ZINC000290202599 552441930 /nfs/dbraw/zinc/44/19/30/552441930.db2.gz HYSBDMWVTPCUBE-GOSISDBHSA-N 1 0 368.412 2.363 20 30 FEEDRO C#Cc1ccccc1CC(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000290348742 552464747 /nfs/dbraw/zinc/46/47/47/552464747.db2.gz YEINLEPGNJXSBO-UHFFFAOYSA-N 1 0 362.473 2.484 20 30 FEEDRO CCCC[N@H+](C)C[C@H](C)NC(=O)C1CCN(c2oc(C)nc2C#N)CC1 ZINC000290773969 552535813 /nfs/dbraw/zinc/53/58/13/552535813.db2.gz BWNNKUZBMPJWQA-AWEZNQCLSA-N 1 0 361.490 2.308 20 30 FEEDRO C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292292428 552712984 /nfs/dbraw/zinc/71/29/84/552712984.db2.gz UHCOBFNNVRPKTQ-RDJZCZTQSA-N 1 0 367.453 2.138 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2cc(C)nc(N3CCCC3)n2)CC1 ZINC000292304043 552713958 /nfs/dbraw/zinc/71/39/58/552713958.db2.gz NUTHSJJTEPQFDX-UHFFFAOYSA-N 1 0 372.517 2.225 20 30 FEEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1CCC[C@H](CO)CC1 ZINC000293269572 552805487 /nfs/dbraw/zinc/80/54/87/552805487.db2.gz UVSBLHMMLJOZHF-IRXDYDNUSA-N 1 0 359.470 2.425 20 30 FEEDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(C#N)cn2)C1 ZINC000293538243 552833461 /nfs/dbraw/zinc/83/34/61/552833461.db2.gz XOPNLDCUHIIBMT-RDJZCZTQSA-N 1 0 369.469 2.005 20 30 FEEDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(C#N)cn2)C1 ZINC000293538255 552833483 /nfs/dbraw/zinc/83/34/83/552833483.db2.gz XOPNLDCUHIIBMT-WBVHZDCISA-N 1 0 369.469 2.005 20 30 FEEDRO C#CC[N@@H+](C)CCCNC(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] ZINC000293908111 552867034 /nfs/dbraw/zinc/86/70/34/552867034.db2.gz FWKFYCWXMLUJPL-UHFFFAOYSA-N 1 0 351.428 2.010 20 30 FEEDRO C[C@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1CC(=O)N(CCC#N)CCC#N ZINC000501788085 561605645 /nfs/dbraw/zinc/60/56/45/561605645.db2.gz DAMIXEACIZKZGU-OALUTQOASA-N 1 0 367.497 2.237 20 30 FEEDRO C#CCO[C@@H](C)C(=O)N(C)C1CC[NH+](Cc2ncc(C)c(OC)c2C)CC1 ZINC000294600908 552919137 /nfs/dbraw/zinc/91/91/37/552919137.db2.gz NSZGRANBXHKVQO-KRWDZBQOSA-N 1 0 373.497 2.168 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)CNC(=O)Nc1cccc(Cl)c1 ZINC000294846043 552938328 /nfs/dbraw/zinc/93/83/28/552938328.db2.gz YVBCVXUNTSMOPK-UHFFFAOYSA-N 1 0 365.865 2.155 20 30 FEEDRO C#CCN(C)CCC[NH2+][C@H](C)c1ccc(S(=O)(=O)C(F)F)c(OC)c1 ZINC000295020301 552952139 /nfs/dbraw/zinc/95/21/39/552952139.db2.gz NQBGZJDKKVGCSH-CYBMUJFWSA-N 1 0 374.453 2.297 20 30 FEEDRO C#CCN(C)CCC[NH2+][C@@H](C)c1ccc(S(=O)(=O)C(F)F)c(OC)c1 ZINC000295020304 552952150 /nfs/dbraw/zinc/95/21/50/552952150.db2.gz NQBGZJDKKVGCSH-ZDUSSCGKSA-N 1 0 374.453 2.297 20 30 FEEDRO CCOC(=O)c1cnn(C2CC[NH+](C[C@@H](O)c3ccc(C#N)cc3)CC2)c1 ZINC000295070217 552955951 /nfs/dbraw/zinc/95/59/51/552955951.db2.gz AIKNVWCXPINJDQ-LJQANCHMSA-N 1 0 368.437 2.302 20 30 FEEDRO C#CCO[C@H](C)C(=O)NCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000295322650 552987404 /nfs/dbraw/zinc/98/74/04/552987404.db2.gz OWPGOJRBGZKLAE-GOSISDBHSA-N 1 0 358.482 2.212 20 30 FEEDRO N#Cc1cccc(OCCCCC(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)c1 ZINC000295384064 552997694 /nfs/dbraw/zinc/99/76/94/552997694.db2.gz HDAJTWKOQMWPOV-GOSISDBHSA-N 1 0 359.470 2.070 20 30 FEEDRO N#Cc1csc(C[NH2+]C[C@@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)c1 ZINC000502054442 561610998 /nfs/dbraw/zinc/61/09/98/561610998.db2.gz NBLZVLLEZBMODV-ZWKOTPCHSA-N 1 0 366.490 2.308 20 30 FEEDRO C#CCCOc1ccc(C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000296074461 553100672 /nfs/dbraw/zinc/10/06/72/553100672.db2.gz PPZJZLLDNZCTER-GOSISDBHSA-N 1 0 356.466 2.273 20 30 FEEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]C[C@]2(O)CCS(=O)(=O)C2)cc1 ZINC000296233626 553126890 /nfs/dbraw/zinc/12/68/90/553126890.db2.gz CDVVLDJHTCYNCO-CZUORRHYSA-N 1 0 359.875 2.018 20 30 FEEDRO C[C@@H](CNS(=O)(=O)Cc1ccc(F)cc1C#N)C[NH+]1CCCCC1 ZINC000296678932 553197144 /nfs/dbraw/zinc/19/71/44/553197144.db2.gz HYSBEVPEXSORGZ-AWEZNQCLSA-N 1 0 353.463 2.239 20 30 FEEDRO C=C(C)CN(Cc1ccccc1)C(=O)C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000297980984 553366082 /nfs/dbraw/zinc/36/60/82/553366082.db2.gz IJGNIDCUWCOEKA-LJQANCHMSA-N 1 0 357.498 2.392 20 30 FEEDRO C=C(C)C[C@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCC[NH+](C)C ZINC000298250779 553403951 /nfs/dbraw/zinc/40/39/51/553403951.db2.gz DOPOLABGGSVIGJ-LPHOPBHVSA-N 1 0 357.498 2.220 20 30 FEEDRO C=CCCCN(C)C(=O)C(=O)N(Cc1ccncc1)C[C@@H]1CCC[N@H+]1CC ZINC000298255960 553404589 /nfs/dbraw/zinc/40/45/89/553404589.db2.gz FFEFPAVXKMSOKK-IBGZPJMESA-N 1 0 372.513 2.319 20 30 FEEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000298263773 553405543 /nfs/dbraw/zinc/40/55/43/553405543.db2.gz GKIGFGGBOHQPKE-SFHVURJKSA-N 1 0 373.497 2.010 20 30 FEEDRO C=CCN(Cc1ccccc1)C(=O)C(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000298266101 553405788 /nfs/dbraw/zinc/40/57/88/553405788.db2.gz NAHAWUHBMLHUGC-UHFFFAOYSA-N 1 0 357.498 2.392 20 30 FEEDRO COC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](CCOc2ccccc2C#N)CC1 ZINC000298289647 553408432 /nfs/dbraw/zinc/40/84/32/553408432.db2.gz OXPICXLANWYPHM-MJGOQNOKSA-N 1 0 358.438 2.227 20 30 FEEDRO CS[C@@H]1CN([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C[C@@H]1[NH+]1CCCC1 ZINC000299377020 553555207 /nfs/dbraw/zinc/55/52/07/553555207.db2.gz QOXYEFHRRAJOTR-GBESFXJTSA-N 1 0 370.522 2.175 20 30 FEEDRO CS[C@@H]1CN([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C[C@H]1[NH+]1CCCC1 ZINC000299377028 553555280 /nfs/dbraw/zinc/55/52/80/553555280.db2.gz QOXYEFHRRAJOTR-GUDVDZBRSA-N 1 0 370.522 2.175 20 30 FEEDRO C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000299536492 553577680 /nfs/dbraw/zinc/57/76/80/553577680.db2.gz UZMHACJEHZEFNQ-GOSISDBHSA-N 1 0 369.469 2.013 20 30 FEEDRO C=CCNC(=O)c1ccc(NCC2([NH+]3CCOCC3)CCCCC2)nc1 ZINC000301277126 553638092 /nfs/dbraw/zinc/63/80/92/553638092.db2.gz ZDIKLUKRZYTMTF-UHFFFAOYSA-N 1 0 358.486 2.444 20 30 FEEDRO CC1CCN(C(=[NH2+])NCc2ccc(C(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2)CC1 ZINC000303257982 553743795 /nfs/dbraw/zinc/74/37/95/553743795.db2.gz KDZUUSFWPCPXBV-CALCHBBNSA-N 1 0 372.513 2.483 20 30 FEEDRO N#Cc1ccc2nc(N[C@H]3CCC[N@H+](CCN4CCOCC4)C3)ccc2c1 ZINC000603423141 553784611 /nfs/dbraw/zinc/78/46/11/553784611.db2.gz MKSRWWRXASRWJT-IBGZPJMESA-N 1 0 365.481 2.315 20 30 FEEDRO C[NH+](C)C1(CNC(=O)N[C@@H]2CCCN(C3CCCCC3)C2=O)CCC1 ZINC000328623819 553797904 /nfs/dbraw/zinc/79/79/04/553797904.db2.gz ZBUGVNVVSWDDOL-MRXNPFEDSA-N 1 0 350.507 2.298 20 30 FEEDRO O=C(Nc1nncs1)c1ccc(N2CC[C@H](C[NH+]3CCCC3)C2)nc1 ZINC000328681466 553806060 /nfs/dbraw/zinc/80/60/60/553806060.db2.gz CNGPVAHSHKBVQZ-CYBMUJFWSA-N 1 0 358.471 2.492 20 30 FEEDRO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCC[C@@H]1[C@H]1COCC[C@H]1O ZINC000328697684 553808834 /nfs/dbraw/zinc/80/88/34/553808834.db2.gz DRBFSHMKXAKZAF-VBSBHUPXSA-N 1 0 371.481 2.184 20 30 FEEDRO C[N@@H+]1CCN(CCNC(=O)c2cnc([C@H]3CCCO3)s2)CC1(C)C ZINC000328717818 553811663 /nfs/dbraw/zinc/81/16/63/553811663.db2.gz PMJQVNDOWZZBBQ-CYBMUJFWSA-N 1 0 352.504 2.325 20 30 FEEDRO C[C@H](C(=O)NC(=O)NC1CC1)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000328739346 553815165 /nfs/dbraw/zinc/81/51/65/553815165.db2.gz HVWLOBUDIDVNDD-QLFBSQMISA-N 1 0 366.506 2.229 20 30 FEEDRO CCc1nc2n(n1)CCC[C@@H]2NC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000328778135 553820812 /nfs/dbraw/zinc/82/08/12/553820812.db2.gz DKQVBSMKMSXXEX-HOTGVXAUSA-N 1 0 360.506 2.253 20 30 FEEDRO CCc1nc2n(n1)CCC[C@@H]2NC(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000328778134 553820954 /nfs/dbraw/zinc/82/09/54/553820954.db2.gz DKQVBSMKMSXXEX-CVEARBPZSA-N 1 0 360.506 2.253 20 30 FEEDRO C[N@@H+]1CCC[C@@]2(CCN(CC(=O)NC(=O)Nc3ccc4c(c3)OCO4)C2)C1 ZINC000328861678 553834259 /nfs/dbraw/zinc/83/42/59/553834259.db2.gz LWDBOKZVZQOIFO-LJQANCHMSA-N 1 0 374.441 2.335 20 30 FEEDRO CN1CCO[C@@H]2CC[N@H+](CCC(=O)Nc3sc4c(c3C#N)CCC4)C[C@H]21 ZINC000328927429 553845914 /nfs/dbraw/zinc/84/59/14/553845914.db2.gz XCRUMAZJIIRKTA-HZPDHXFCSA-N 1 0 374.510 2.491 20 30 FEEDRO CN1CCOC[C@@H]1C(=O)N[C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000328946501 553851127 /nfs/dbraw/zinc/85/11/27/553851127.db2.gz JYWAVFTUFAHFFA-DLBZAZTESA-N 1 0 359.470 2.262 20 30 FEEDRO CC[NH+]1CCC(NC(=O)[C@@H]2CCCN2C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000328963249 553854186 /nfs/dbraw/zinc/85/41/86/553854186.db2.gz LJFYSZCZNKUWAS-INIZCTEOSA-N 1 0 373.453 2.461 20 30 FEEDRO CCC(=O)N1CCC[C@H](C(=O)Nc2ccc(N3CC[NH+](C)CC3)nc2)C1 ZINC000328980091 553857853 /nfs/dbraw/zinc/85/78/53/553857853.db2.gz DDQFZCJBTBWHEA-HNNXBMFYSA-N 1 0 359.474 2.070 20 30 FEEDRO C[C@@H]1CCC[N@H+](CCNC(=O)CN2C(=O)N[C@@]3(CCCC[C@H]3C)C2=O)C1 ZINC000328999562 553861952 /nfs/dbraw/zinc/86/19/52/553861952.db2.gz XBWUFSGIAXGSTD-SPYBWZPUSA-N 1 0 364.490 2.380 20 30 FEEDRO CC(C)c1nc2n(n1)C[C@H]([NH+]=C([O-])N1CCCC13CC[NH+](C)CC3)CC2 ZINC000329084298 553877383 /nfs/dbraw/zinc/87/73/83/553877383.db2.gz TVBHWRDLHSGTKY-OAHLLOKOSA-N 1 0 360.506 2.191 20 30 FEEDRO CC(C)[C@H](C)NC(=O)[C@@H]1CSCN1C(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000329085336 553878101 /nfs/dbraw/zinc/87/81/01/553878101.db2.gz UEMAMVUDAKSJRQ-IHRRRGAJSA-N 1 0 359.561 2.326 20 30 FEEDRO CC[C@@H]1CO[C@H](C)CN1CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000329133531 553886536 /nfs/dbraw/zinc/88/65/36/553886536.db2.gz ZCVKFXSFKBVWKW-QZTJIDSGSA-N 1 0 367.534 2.477 20 30 FEEDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@H](c1nc(C)no1)C1CCOCC1 ZINC000329148928 553889620 /nfs/dbraw/zinc/88/96/20/553889620.db2.gz YNTOEJKCSKXJOS-CVEARBPZSA-N 1 0 365.478 2.224 20 30 FEEDRO CN1CC[C@@H]([NH+]2CCC(NC(=O)Cc3ccc(F)c(F)c3)CC2)C1=O ZINC000329164524 553893183 /nfs/dbraw/zinc/89/31/83/553893183.db2.gz HAALDGGFBGOLIZ-MRXNPFEDSA-N 1 0 351.397 2.159 20 30 FEEDRO CN1CC[C@H]([NH+]2CCC(NC(=O)c3cc(F)cc4cccnc43)CC2)C1=O ZINC000329184413 553897770 /nfs/dbraw/zinc/89/77/70/553897770.db2.gz PEIUACULDHZOOA-KRWDZBQOSA-N 1 0 370.428 2.374 20 30 FEEDRO O=C(CC[NH+]1CCC([C@@H](O)C(=O)NC2CC2)CC1)N1CCc2ccccc21 ZINC000329189669 553898691 /nfs/dbraw/zinc/89/86/91/553898691.db2.gz PUSRPJHHFQUDAO-HXUWFJFHSA-N 1 0 371.481 2.158 20 30 FEEDRO CC(C)[C@H](NC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1nncn1C ZINC000329219447 553905267 /nfs/dbraw/zinc/90/52/67/553905267.db2.gz AWICZUGCBCUZJX-OIISXLGYSA-N 1 0 360.506 2.375 20 30 FEEDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NCc1ccc(S(C)(=O)=O)s1 ZINC000329231681 553907452 /nfs/dbraw/zinc/90/74/52/553907452.db2.gz KUYOIJQFLONZPV-OLZOCXBDSA-N 1 0 371.528 2.124 20 30 FEEDRO O=C(NCCOC1CCCCC1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000329240784 553908623 /nfs/dbraw/zinc/90/86/23/553908623.db2.gz MZUPXVCWFLCNRM-KRWDZBQOSA-N 1 0 353.507 2.294 20 30 FEEDRO O=C(NCCc1nnc2n1CCCCC2)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000329283377 553917000 /nfs/dbraw/zinc/91/70/00/553917000.db2.gz LDOKPHVJXKORLJ-INIZCTEOSA-N 1 0 360.506 2.021 20 30 FEEDRO CCOC1CC2(C1)CCN(C(=O)NC1CC[NH+]([C@@H]3CCC[C@@H]3O)CC1)C2 ZINC000329284617 553917676 /nfs/dbraw/zinc/91/76/76/553917676.db2.gz NXRCFFWVHYZSIW-NNVNDSJASA-N 1 0 365.518 2.169 20 30 FEEDRO O=C(N[C@@H]1CCCN(S(=O)(=O)C2CC2)C1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000329309993 553922654 /nfs/dbraw/zinc/92/26/54/553922654.db2.gz ZHJQNDWBBFUVRK-PBHICJAKSA-N 1 0 369.531 2.307 20 30 FEEDRO COC1CCC(CNC(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CC1 ZINC000329315998 553923896 /nfs/dbraw/zinc/92/38/96/553923896.db2.gz BEHXCUCBAQRXOE-JDGDGYACSA-N 1 0 367.534 2.463 20 30 FEEDRO Cc1cc(C(=O)N(C)C[C@H]2CCC[N@H+](C)C2)nn1-c1cccc(C#N)c1 ZINC000506489075 561700028 /nfs/dbraw/zinc/70/00/28/561700028.db2.gz ULMPXMZLXKOXGG-KRWDZBQOSA-N 1 0 351.454 2.466 20 30 FEEDRO CC(C)[C@H]1CCN1C(=O)N[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1cncn1C ZINC000329318115 553924537 /nfs/dbraw/zinc/92/45/37/553924537.db2.gz IBYCAMAKRQPTJA-IIDMSEBBSA-N 1 0 359.474 2.259 20 30 FEEDRO C[C@@H]1CCC[C@](CNC(=O)N2CCC[C@@H]2[C@@H]2COCC[C@H]2O)([NH+](C)C)C1 ZINC000329400936 553938920 /nfs/dbraw/zinc/93/89/20/553938920.db2.gz YVDQDLYWHBZEQA-LYYGHALDSA-N 1 0 367.534 2.273 20 30 FEEDRO C[C@]1(C[C@H]2CCCN2C(=O)NC2CC[NH+](C3CC3)CC2)NC(=O)NC1=O ZINC000329415595 553942624 /nfs/dbraw/zinc/94/26/24/553942624.db2.gz CWVBDCFMYHQRQL-RDTXWAMCSA-N 1 0 363.462 2.025 20 30 FEEDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)Nc3cnn(CC(=O)NC4CCCC4)c3)[C@H]2C1 ZINC000329433453 553946030 /nfs/dbraw/zinc/94/60/30/553946030.db2.gz KVRLICSAEQSTCB-PBHICJAKSA-N 1 0 374.489 2.354 20 30 FEEDRO O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)N1CCC[C@@H]1C1CCOCC1 ZINC000329453821 553950215 /nfs/dbraw/zinc/95/02/15/553950215.db2.gz NTCUFRNUFLNKTD-QRVBRYPASA-N 1 0 365.518 2.169 20 30 FEEDRO C[NH+]1CCN(c2cc(CNC(=O)NC[C@H]3CCCCS3)ccn2)CC1 ZINC000329509699 553959319 /nfs/dbraw/zinc/95/93/19/553959319.db2.gz BGKKVHPXBNSGID-MRXNPFEDSA-N 1 0 363.531 2.123 20 30 FEEDRO C[C@H](O)C[N@@H+]1CCN(C(=O)NC[C@@H]2CCC3(CCCCC3)O2)[C@H](C)C1 ZINC000329526519 553962449 /nfs/dbraw/zinc/96/24/49/553962449.db2.gz HNAWQIATJQQBFI-IKGGRYGDSA-N 1 0 353.507 2.169 20 30 FEEDRO CC(C)[C@H](NC(=O)NCc1ccccc1)C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000329531066 553962834 /nfs/dbraw/zinc/96/28/34/553962834.db2.gz JDGABOIYMBKQNC-NEWSRXKRSA-N 1 0 372.513 2.410 20 30 FEEDRO COCCn1cc2c(n1)[C@H](NC(=O)N1CCC(c3c[nH]cn3)CC1)CCC2 ZINC000329529381 553962950 /nfs/dbraw/zinc/96/29/50/553962950.db2.gz TWSYBADTSHJUJG-MRXNPFEDSA-N 1 0 372.473 2.424 20 30 FEEDRO CCO[C@@H]1C[C@H](NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)[C@]12CCCO2 ZINC000329539412 553964305 /nfs/dbraw/zinc/96/43/05/553964305.db2.gz MSULJPZUYMKOBQ-ZXKJWYPDSA-N 1 0 351.491 2.184 20 30 FEEDRO C[NH+](C)[C@@H](CNC(=O)N1CCCN(c2cccnn2)CC1)c1ccsc1 ZINC000329544455 553964784 /nfs/dbraw/zinc/96/47/84/553964784.db2.gz YTOAXXUOFFBAJD-INIZCTEOSA-N 1 0 374.514 2.267 20 30 FEEDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@H]1CCCN(c2ccc(C)nn2)C1 ZINC000329553798 553966432 /nfs/dbraw/zinc/96/64/32/553966432.db2.gz DHXONYQNOKESTJ-DLBZAZTESA-N 1 0 360.506 2.132 20 30 FEEDRO O=C(N[C@H]1CC(=O)N(c2ccccc2F)C1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000329620073 553977814 /nfs/dbraw/zinc/97/78/14/553977814.db2.gz MMXZXLXAJOCLMC-JKSUJKDBSA-N 1 0 374.460 2.405 20 30 FEEDRO C[NH+](C)C1(CNC(=O)NC[C@H]2CCCCS2(=O)=O)CCCCCC1 ZINC000329627331 553978889 /nfs/dbraw/zinc/97/88/89/553978889.db2.gz GXNCXSIBZBQWRF-OAHLLOKOSA-N 1 0 359.536 2.112 20 30 FEEDRO O=C(CN1CC[NH+](CC2CCOCC2)CC1)Nc1nc2c(s1)CCC2 ZINC000329629875 553979743 /nfs/dbraw/zinc/97/97/43/553979743.db2.gz WDFSUSWTDVHTIE-UHFFFAOYSA-N 1 0 364.515 2.264 20 30 FEEDRO CCC[NH+]1CCC(CNC(=O)N[C@H]2CCCN(c3ccc(C)nn3)C2)CC1 ZINC000329634581 553980412 /nfs/dbraw/zinc/98/04/12/553980412.db2.gz XPBFUHIXQXUFTP-SFHVURJKSA-N 1 0 374.533 2.379 20 30 FEEDRO CC(C)n1nnnc1-c1ccccc1NC(=O)N1CC[N@H+](C)[C@H](C)[C@@H]1C ZINC000329728547 553996556 /nfs/dbraw/zinc/99/65/56/553996556.db2.gz CRBBDJIZNPFVIW-KGLIPLIRSA-N 1 0 357.462 2.491 20 30 FEEDRO NC(=O)[C@@H]1CCCCC[C@@H]1NC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000329768693 554002701 /nfs/dbraw/zinc/00/27/01/554002701.db2.gz GYRJNDDNGSZKJH-OIISXLGYSA-N 1 0 366.506 2.475 20 30 FEEDRO C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@@H+]1CCCN2c3ccccc3C[C@@H]2C1 ZINC000329770272 554003035 /nfs/dbraw/zinc/00/30/35/554003035.db2.gz FVUWHZUUIOPKIQ-CRAIPNDOSA-N 1 0 370.497 2.089 20 30 FEEDRO CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+]2CCCC[C@@H]2[C@@H]2CCCC[C@H]2O)C1 ZINC000329797674 554008018 /nfs/dbraw/zinc/00/80/18/554008018.db2.gz HKIJPKKSIYSTHX-FCGDIQPGSA-N 1 0 365.518 2.359 20 30 FEEDRO CC[NH+]1CCC(NC(=O)N2CCN([C@H](C)c3nccs3)CC2)CC1 ZINC000329801077 554008513 /nfs/dbraw/zinc/00/85/13/554008513.db2.gz JIHPZWZTDJUCHF-CQSZACIVSA-N 1 0 351.520 2.220 20 30 FEEDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCc1ccc(S(C)(=O)=O)s1 ZINC000329864025 554021492 /nfs/dbraw/zinc/02/14/92/554021492.db2.gz SJOFPZCAYHPTLM-OLZOCXBDSA-N 1 0 371.528 2.124 20 30 FEEDRO O=C(NCCc1cn2c(n1)SCC2)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000329878426 554023593 /nfs/dbraw/zinc/02/35/93/554023593.db2.gz KSSPRDLBUWZWGY-MRXNPFEDSA-N 1 0 363.531 2.396 20 30 FEEDRO CC(C)[C@H](NC(=O)NCc1ccccc1)C(=O)N1CC[NH+]2CCC1CC2 ZINC000329890987 554025809 /nfs/dbraw/zinc/02/58/09/554025809.db2.gz HDVFOZREXSPJEO-SFHVURJKSA-N 1 0 358.486 2.021 20 30 FEEDRO C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1=O ZINC000329894536 554026073 /nfs/dbraw/zinc/02/60/73/554026073.db2.gz BLFFSIMZLOCXOH-LULLPPNCSA-N 1 0 370.497 2.021 20 30 FEEDRO Cc1c([C@H]2OCC[C@@H]2C(=O)NC[C@]2([NH+](C)C)CCSC2)cnn1C ZINC000329897994 554026818 /nfs/dbraw/zinc/02/68/18/554026818.db2.gz LUCSNBHEFNHVDS-JLJPHGGASA-N 1 0 352.504 2.200 20 30 FEEDRO C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CCn2ncnc2C1 ZINC000329950786 554037152 /nfs/dbraw/zinc/03/71/52/554037152.db2.gz HZRSORQVDNIYEI-MRXNPFEDSA-N 1 0 368.485 2.103 20 30 FEEDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000329975523 554042367 /nfs/dbraw/zinc/04/23/67/554042367.db2.gz YEHRGJOXRPABAV-APWZRJJASA-N 1 0 353.507 2.291 20 30 FEEDRO C[C@@H](C(=O)NC[C@@H]1C[C@H](F)CN1Cc1cnn(C)c1)C1CCOCC1 ZINC000329991057 554044988 /nfs/dbraw/zinc/04/49/88/554044988.db2.gz WPABETXYGOGIFT-COXVUDFISA-N 1 0 352.454 2.352 20 30 FEEDRO CC1CC[NH+](Cc2ccccc2CNC(=O)N[C@@H]2CC[S@](=O)C2)CC1 ZINC000330001246 554047465 /nfs/dbraw/zinc/04/74/65/554047465.db2.gz XREDWBDKAQWUJJ-CJAUYULYSA-N 1 0 363.527 2.443 20 30 FEEDRO C=CCOc1cccc(NC(=O)C(=O)N[C@H](c2nccn2C)C2CC2)c1 ZINC000507444252 561729782 /nfs/dbraw/zinc/72/97/82/561729782.db2.gz TYXDNLWGXPAFIZ-INIZCTEOSA-N 1 0 354.410 2.191 20 30 FEEDRO C[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2CC[S@](=O)C2)[C@H]1c1cccs1 ZINC000330010556 554048970 /nfs/dbraw/zinc/04/89/70/554048970.db2.gz HCSXSAVAOBACKM-MLBPVHCZSA-N 1 0 355.529 2.156 20 30 FEEDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)N1CCC(c2nnc3n2CCCC3)CC1 ZINC000330020827 554050622 /nfs/dbraw/zinc/05/06/22/554050622.db2.gz AOLWOGLQHUXPCM-IAGOWNOFSA-N 1 0 372.517 2.335 20 30 FEEDRO C[NH+](C)C[C@@H]1CCN(C(=O)Nc2ccc(F)c(-n3nnnc3C3CC3)c2)C1 ZINC000330135946 554071173 /nfs/dbraw/zinc/07/11/73/554071173.db2.gz SZUIRBPBQMXDPB-LBPRGKRZSA-N 1 0 373.436 2.108 20 30 FEEDRO CC1(C)CC(NC(=O)N2CCC(O[C@@H]3CCOC3)CC2)CC(C)(C)[NH2+]1 ZINC000330173425 554078662 /nfs/dbraw/zinc/07/86/62/554078662.db2.gz YKOHFIUSTVIYON-MRXNPFEDSA-N 1 0 353.507 2.480 20 30 FEEDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1CC(=O)Nc1nc2c(s1)CCC2 ZINC000330197144 554083396 /nfs/dbraw/zinc/08/33/96/554083396.db2.gz RJWAPUZZMRVVEM-ZDUSSCGKSA-N 1 0 364.515 2.405 20 30 FEEDRO O=C(N[C@H]1CCOC2(CCC2)C1)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000330207115 554085638 /nfs/dbraw/zinc/08/56/38/554085638.db2.gz ADBJZFVEMRYUHW-SFHVURJKSA-N 1 0 365.518 2.436 20 30 FEEDRO CC(C)[NH+]1CCC(O)(CNC(=O)N[C@@H]2CCOC3(CCCC3)C2)CC1 ZINC000330220075 554087281 /nfs/dbraw/zinc/08/72/81/554087281.db2.gz KPQRVGWJTSJYGQ-MRXNPFEDSA-N 1 0 353.507 2.217 20 30 FEEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)NC2CCN(c3cccnn3)CC2)C[C@H]1C ZINC000330224241 554088189 /nfs/dbraw/zinc/08/81/89/554088189.db2.gz AQHZEQYOCWXJLF-WBVHZDCISA-N 1 0 360.506 2.164 20 30 FEEDRO C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)NC[C@H]1CCC2(CCCCC2)O1 ZINC000330233381 554089701 /nfs/dbraw/zinc/08/97/01/554089701.db2.gz XWJXMOLXWUERCU-BRWVUGGUSA-N 1 0 353.507 2.169 20 30 FEEDRO CO[C@]1(C)C[C@H](N(C)C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)C1(C)C ZINC000330236432 554090598 /nfs/dbraw/zinc/09/05/98/554090598.db2.gz UKEGUAFRIKRHMQ-PDOICOKGSA-N 1 0 367.534 2.414 20 30 FEEDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)N[C@@H]1CCO[C@@H](C2CC2)C1 ZINC000330236905 554090781 /nfs/dbraw/zinc/09/07/81/554090781.db2.gz UPLINMHSFSGCKD-YXJHDRRASA-N 1 0 351.491 2.043 20 30 FEEDRO O=C(N[C@@H]1CCOC2(CCOCC2)C1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000330238466 554090849 /nfs/dbraw/zinc/09/08/49/554090849.db2.gz VFKOAWVTCGFRTL-SJORKVTESA-N 1 0 351.491 2.189 20 30 FEEDRO C[C@@H]1CCC[N@H+](CCNC(=O)[C@@H]2OCC(=O)N(C)[C@@H]2c2ccccc2)C1 ZINC000330311445 554103589 /nfs/dbraw/zinc/10/35/89/554103589.db2.gz VSSLBKKEFPKHKO-ATZDWAIDSA-N 1 0 359.470 2.273 20 30 FEEDRO CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)N2CCNC(=O)CC2)CC1 ZINC000330313578 554103722 /nfs/dbraw/zinc/10/37/22/554103722.db2.gz XHKQCZOVHGGRFR-UHFFFAOYSA-N 1 0 367.494 2.030 20 30 FEEDRO CCn1ccnc1[C@H]1OCCC[C@@H]1NC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000330336910 554107498 /nfs/dbraw/zinc/10/74/98/554107498.db2.gz STUGHBMTRAWVEC-TWMKSMIVSA-N 1 0 361.490 2.254 20 30 FEEDRO O=C(NCC1([NH+]2CCSCC2)CCCC1)c1cc2n(n1)CCCO2 ZINC000330346913 554109535 /nfs/dbraw/zinc/10/95/35/554109535.db2.gz HDYDOVDCZDWLCH-UHFFFAOYSA-N 1 0 350.488 2.332 20 30 FEEDRO CC[N@H+](CCNC(=O)c1ccc2c(c1)C[C@H](C)N2S(C)(=O)=O)C(C)C ZINC000330439868 554122256 /nfs/dbraw/zinc/12/22/56/554122256.db2.gz OISSQRIBWXRPCR-AWEZNQCLSA-N 1 0 367.515 2.432 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CSCN2C(=O)C(C)(C)C)CC1 ZINC000330663193 554153193 /nfs/dbraw/zinc/15/31/93/554153193.db2.gz VDKAULOLQYGKJV-HNNXBMFYSA-N 1 0 353.532 2.091 20 30 FEEDRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)Nc2ccc(F)c(F)c2)CC1 ZINC000330667394 554154229 /nfs/dbraw/zinc/15/42/29/554154229.db2.gz JCEJALDUQKLNIE-UHFFFAOYSA-N 1 0 354.401 2.233 20 30 FEEDRO CCCS(=O)(=O)Nc1cccc(NC(=O)N2CC[N@H+](C)[C@H](C)[C@@H]2C)c1 ZINC000330708581 554160788 /nfs/dbraw/zinc/16/07/88/554160788.db2.gz NTACTEPKVWNQHI-KGLIPLIRSA-N 1 0 368.503 2.408 20 30 FEEDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2CCC(O)(C(F)(F)F)CC2)C1 ZINC000330707781 554160815 /nfs/dbraw/zinc/16/08/15/554160815.db2.gz QBLZNKOFUSFVLZ-CYBMUJFWSA-N 1 0 351.413 2.268 20 30 FEEDRO CS[C@H]1CN(C(=O)Nc2cccc(NC(C)=O)c2C)C[C@H]1[NH+](C)C ZINC000330721259 554163044 /nfs/dbraw/zinc/16/30/44/554163044.db2.gz XJOABFXLFPKNOD-CVEARBPZSA-N 1 0 350.488 2.476 20 30 FEEDRO C=CCN1C(=O)c2ccc(C(=O)N(CC)CCC[NH+]3CCCC3)cc2C1=O ZINC000508212269 561755466 /nfs/dbraw/zinc/75/54/66/561755466.db2.gz ZECOBTIUAJJZLH-UHFFFAOYSA-N 1 0 369.465 2.417 20 30 FEEDRO Cc1ccc([C@H](CNC(=O)N2CC[S@](=O)[C@H](C)[C@@H]2C)[NH+](C)C)cc1 ZINC000330828438 554176281 /nfs/dbraw/zinc/17/62/81/554176281.db2.gz JCVGQHXYNUNJMB-YQJAQPBFSA-N 1 0 351.516 2.353 20 30 FEEDRO CC(C)CNC(=O)N1CCC[C@@H](C(=O)N2CC[NH+](CC(C)C)CC2)C1 ZINC000330909825 554186933 /nfs/dbraw/zinc/18/69/33/554186933.db2.gz PBVDYTDUEPQPJZ-QGZVFWFLSA-N 1 0 352.523 2.069 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N(C)CC(=O)N(C)[C@@H](C)c2ccccc2)CC1 ZINC000508382246 561760770 /nfs/dbraw/zinc/76/07/70/561760770.db2.gz LSGLTXLQHYAPOK-KRWDZBQOSA-N 1 0 372.513 2.498 20 30 FEEDRO CC(C)NC(=O)N1CCC[C@H]1C(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000330971444 554195801 /nfs/dbraw/zinc/19/58/01/554195801.db2.gz JWYVAIKHGXHHQN-LSDHHAIUSA-N 1 0 352.504 2.254 20 30 FEEDRO CN(CC(=O)NC(=O)NC(C)(C)C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000331018421 554201856 /nfs/dbraw/zinc/20/18/56/554201856.db2.gz VZLPTMXDCGUPPL-KRWDZBQOSA-N 1 0 360.502 2.412 20 30 FEEDRO COc1ncc(NC(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)cc1C(N)=O ZINC000331050823 554206320 /nfs/dbraw/zinc/20/63/20/554206320.db2.gz XWLONZXSLVMUMJ-LBPRGKRZSA-N 1 0 363.462 2.026 20 30 FEEDRO C=CC1CCN(C(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)CC1 ZINC000331194415 554229058 /nfs/dbraw/zinc/22/90/58/554229058.db2.gz SOJRJAFJQAZGFT-UHFFFAOYSA-N 1 0 364.534 2.425 20 30 FEEDRO Cc1c(CS(C)(=O)=O)cccc1NC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000331228867 554233485 /nfs/dbraw/zinc/23/34/85/554233485.db2.gz CGMAJRVAZUZTIL-CZUORRHYSA-N 1 0 367.515 2.500 20 30 FEEDRO C[NH+](C)C[C@@H]1CCCN1S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000331225822 554233564 /nfs/dbraw/zinc/23/35/64/554233564.db2.gz FFERUMIBMRDEIF-LBPRGKRZSA-N 1 0 361.389 2.292 20 30 FEEDRO Cc1cc(C(=O)NCC[N@@H+]2CCCC(C)(C)C2)cc(S(N)(=O)=O)c1C ZINC000331307989 554245323 /nfs/dbraw/zinc/24/53/23/554245323.db2.gz WSTVWTBTDIBSQQ-UHFFFAOYSA-N 1 0 367.515 2.377 20 30 FEEDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCN(c2nc(C)ccc2C#N)C1 ZINC000331406328 554259537 /nfs/dbraw/zinc/25/95/37/554259537.db2.gz FJJRPFGNSZYPRB-ZWKOTPCHSA-N 1 0 355.486 2.079 20 30 FEEDRO CO[C@@H]1C[NH+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)C[C@H]1OC ZINC000331531048 554281126 /nfs/dbraw/zinc/28/11/26/554281126.db2.gz HBJHBJKBIVJXQC-HUUCEWRRSA-N 1 0 363.483 2.173 20 30 FEEDRO CS[C@@H]1CN(C(=O)[C@@H](C)Oc2ccccc2C#N)C[C@@H]1[NH+]1CCCC1 ZINC000331611819 554294722 /nfs/dbraw/zinc/29/47/22/554294722.db2.gz WCBDACBWZRQXBZ-UWWQBHOKSA-N 1 0 359.495 2.364 20 30 FEEDRO Cc1ccccc1[C@H]([C@H](C)NS(=O)(=O)N(C)[C@H](C)CC#N)[NH+](C)C ZINC000509252471 561792327 /nfs/dbraw/zinc/79/23/27/561792327.db2.gz CLCLPBJOCSMEJB-VYDXJSESSA-N 1 0 352.504 2.055 20 30 FEEDRO CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NS(=O)(=O)N(C)[C@H](C)CC#N ZINC000509287082 561793833 /nfs/dbraw/zinc/79/38/33/561793833.db2.gz NAVWBJCPXREBPP-AEFFLSMTSA-N 1 0 366.531 2.211 20 30 FEEDRO C[C@@H]1CN(C(=O)C2CCN(c3ccc(C#N)cc3F)CC2)[C@@H](C)C[N@@H+]1C ZINC000332339573 554428458 /nfs/dbraw/zinc/42/84/58/554428458.db2.gz DRTHUUDZRHBDPM-CABCVRRESA-N 1 0 358.461 2.465 20 30 FEEDRO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 ZINC000332667934 554493954 /nfs/dbraw/zinc/49/39/54/554493954.db2.gz MIWCSTLUJUSJLN-STQMWFEESA-N 1 0 372.860 2.954 20 30 FEEDRO CS[C@@H]1CN(S(=O)(=O)CC2(C#N)CCCCC2)C[C@H]1[NH+]1CCCC1 ZINC000333074899 554568310 /nfs/dbraw/zinc/56/83/10/554568310.db2.gz DGANZCVAIZQEER-HZPDHXFCSA-N 1 0 371.572 2.302 20 30 FEEDRO N#Cc1c2c(sc1NC(=O)CC[NH2+][C@H]1CCC(=O)N[C@H]1C1CC1)CCC2 ZINC000333179212 554584383 /nfs/dbraw/zinc/58/43/83/554584383.db2.gz ROFFLZSLNFTAIB-KSSFIOAISA-N 1 0 372.494 2.084 20 30 FEEDRO N#Cc1ccc(OC2CCC(NC(=O)N3CC[C@H]4[NH2+]CC[C@@H]4C3)CC2)nc1 ZINC000333704736 554635015 /nfs/dbraw/zinc/63/50/15/554635015.db2.gz DVMCDFRUCICRPH-AQEOSJORSA-N 1 0 369.469 2.037 20 30 FEEDRO N#Cc1ccc(OC2CCC(NC(=O)N3CC[C@H]4CC[C@@H](C3)[NH2+]4)CC2)nc1 ZINC000333806605 554645585 /nfs/dbraw/zinc/64/55/85/554645585.db2.gz OXXKXPBWKRWENG-UMQBVGHOSA-N 1 0 369.469 2.179 20 30 FEEDRO CC[N@@H+]1CCN(C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)C[C@H]1C ZINC000611599744 554652513 /nfs/dbraw/zinc/65/25/13/554652513.db2.gz JPAXYXOEAZJANQ-CYBMUJFWSA-N 1 0 356.405 2.441 20 30 FEEDRO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3CC[C@]4(CC[C@H](C)C4)C3)CC2)o1 ZINC000360682892 554885169 /nfs/dbraw/zinc/88/51/69/554885169.db2.gz WSJYFKPWUZVCGP-YWZLYKJASA-N 1 0 371.485 2.015 20 30 FEEDRO N#Cc1cccc(OCCCCC(=O)NC[C@H]2CN3CCCC[C@H]3CO2)c1 ZINC000360721913 554886999 /nfs/dbraw/zinc/88/69/99/554886999.db2.gz RNHWOROMNFEXEW-ICSRJNTNSA-N 1 0 371.481 2.477 20 30 FEEDRO CC[N@@H+]1CCN(CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)[C@@H](C)C1 ZINC000511605282 561874231 /nfs/dbraw/zinc/87/42/31/561874231.db2.gz JOAWXKMRFIMMKR-HNNXBMFYSA-N 1 0 367.415 2.199 20 30 FEEDRO N#Cc1cccc(NC(=O)CC[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](CO)C2)c1 ZINC000511630229 561875290 /nfs/dbraw/zinc/87/52/90/561875290.db2.gz RZAMGLQIGXBBMQ-DZGCQCFKSA-N 1 0 355.360 2.380 20 30 FEEDRO COCC[N@@H+]1CC[C@H](NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)C1 ZINC000362432436 554971855 /nfs/dbraw/zinc/97/18/55/554971855.db2.gz WZCZPZCXABOHQH-IBGZPJMESA-N 1 0 354.454 2.078 20 30 FEEDRO N#CCCSc1ccccc1NC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000363034003 555014974 /nfs/dbraw/zinc/01/49/74/555014974.db2.gz GGFODHBANCOCQR-HUUCEWRRSA-N 1 0 372.494 2.374 20 30 FEEDRO C=CCCO[C@@H](C)C(=O)Nc1ccccc1C(=O)N1CCC[N@H+](C)CC1 ZINC000363584575 555141759 /nfs/dbraw/zinc/14/17/59/555141759.db2.gz YNZFKVSEOQQLFF-INIZCTEOSA-N 1 0 359.470 2.384 20 30 FEEDRO C#CC[C@H](C)NC(=O)N(C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000363605188 555145750 /nfs/dbraw/zinc/14/57/50/555145750.db2.gz DBZOCSDSOOPKFL-PXNSSMCTSA-N 1 0 357.498 2.485 20 30 FEEDRO C#CC[C@@H](C)NC(=O)N(C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000363605190 555146027 /nfs/dbraw/zinc/14/60/27/555146027.db2.gz DBZOCSDSOOPKFL-YLJYHZDGSA-N 1 0 357.498 2.485 20 30 FEEDRO CC(C)C[N@@H+]1CCCN(C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)CC1 ZINC000363638079 555152467 /nfs/dbraw/zinc/15/24/67/555152467.db2.gz PTSOCJUGPPHWER-UHFFFAOYSA-N 1 0 366.469 2.130 20 30 FEEDRO CCCC[C@@H](ON=C(C)C)C(=O)N1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000363884068 555206327 /nfs/dbraw/zinc/20/63/27/555206327.db2.gz FJMYIHCFDMAULO-QZTJIDSGSA-N 1 0 352.523 2.196 20 30 FEEDRO CN(C(=O)C1(c2ccc(C#N)cc2)CC1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000364154503 555259511 /nfs/dbraw/zinc/25/95/11/555259511.db2.gz FHVWRTJUGLDRRN-HXUWFJFHSA-N 1 0 366.509 2.217 20 30 FEEDRO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCC[C@@H]2Cc2ccccc2)CC1 ZINC000512450305 561905487 /nfs/dbraw/zinc/90/54/87/561905487.db2.gz QRHVDDUEIOMCFL-RTWAWAEBSA-N 1 0 368.525 2.386 20 30 FEEDRO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCC[C@H](C(=O)N2CCCCCC2)C1 ZINC000364626673 555356441 /nfs/dbraw/zinc/35/64/41/555356441.db2.gz LFMARGLWGLVIBB-ROUUACIJSA-N 1 0 362.518 2.109 20 30 FEEDRO C=CCNc1ncc(C(=O)N(C)C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)s1 ZINC000364671259 555369807 /nfs/dbraw/zinc/36/98/07/555369807.db2.gz KOIXEHAYCGXQNS-RDJZCZTQSA-N 1 0 371.510 2.901 20 30 FEEDRO C=C(C)CN(CC(=O)NC1CC[NH+](CC)CC1)Cc1cnn(C(C)C)c1 ZINC000512557897 561909043 /nfs/dbraw/zinc/90/90/43/561909043.db2.gz ZWXRVGGIUQJTHB-UHFFFAOYSA-N 1 0 361.534 2.443 20 30 FEEDRO C[C@H](CO)[N@@H+]1CCCN(C(=O)Nc2cc(C#N)ccc2OC(F)F)CC1 ZINC000365004029 555462562 /nfs/dbraw/zinc/46/25/62/555462562.db2.gz WFIFHCAVKYLOLT-GFCCVEGCSA-N 1 0 368.384 2.080 20 30 FEEDRO N#Cc1ccc(Br)c(CN2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c1 ZINC000365201867 555509782 /nfs/dbraw/zinc/50/97/82/555509782.db2.gz KGUICNGCNKOCGO-IRXDYDNUSA-N 1 0 364.287 2.352 20 30 FEEDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3cccc(C#N)c3C)cn2)CC1 ZINC000513044883 561923341 /nfs/dbraw/zinc/92/33/41/561923341.db2.gz ZIOWXDKJSSTIIL-UHFFFAOYSA-N 1 0 363.465 2.334 20 30 FEEDRO COCC[N@H+](C)CC[C@@H](NC(=O)c1cnccc1C#N)c1ccccc1 ZINC000513198883 561929218 /nfs/dbraw/zinc/92/92/18/561929218.db2.gz JFNZYFLQUBJVHG-LJQANCHMSA-N 1 0 352.438 2.393 20 30 FEEDRO N#CC1(NC(=O)c2ccnn2CC(F)F)CC[NH+](Cc2ccccc2)CC1 ZINC000365542450 555604079 /nfs/dbraw/zinc/60/40/79/555604079.db2.gz XRIBMPFAMSQZMV-UHFFFAOYSA-N 1 0 373.407 2.436 20 30 FEEDRO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1NC(=O)c1c(F)cc(C#N)cc1F ZINC000365959306 555711361 /nfs/dbraw/zinc/71/13/61/555711361.db2.gz IQTDRAAYHNYREN-HACGYAERSA-N 1 0 363.408 2.456 20 30 FEEDRO C#CC[C@]1(C(=O)N2CC[C@@H](C[NH+](C)C)C2)CCCN1C(=O)OC(C)(C)C ZINC000365977233 555715621 /nfs/dbraw/zinc/71/56/21/555715621.db2.gz FVNOAVKGIITNMV-OXJNMPFZSA-N 1 0 363.502 2.190 20 30 FEEDRO N#Cc1cc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2CO)ccc1F ZINC000366203487 555780789 /nfs/dbraw/zinc/78/07/89/555780789.db2.gz KSTWGUIQKKSQMG-FXAWDEMLSA-N 1 0 367.424 2.310 20 30 FEEDRO COCCC[N@@H+]1CCCN(C(=O)C(C)(C)Oc2ccc(C#N)cc2)CC1 ZINC000366236301 555789305 /nfs/dbraw/zinc/78/93/05/555789305.db2.gz LHLQGMQDXWCAMB-UHFFFAOYSA-N 1 0 359.470 2.286 20 30 FEEDRO C[C@@H](NC(=O)[C@H](C)[NH+]1CCC(n2cnc(C#N)n2)CC1)c1ccccc1 ZINC000366379946 555827257 /nfs/dbraw/zinc/82/72/57/555827257.db2.gz GKMKAKYDQRAUAB-CABCVRRESA-N 1 0 352.442 2.053 20 30 FEEDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)/C=C/c1ccc(OCC#N)cc1 ZINC000366432139 555841882 /nfs/dbraw/zinc/84/18/82/555841882.db2.gz BCNKVVWPGAAQCI-SHCJMLCOSA-N 1 0 369.465 2.312 20 30 FEEDRO CN1C(=O)C[C@H]([NH2+]Cc2cnc3ccc(C#N)cn23)[C@@H]1c1ccc(F)cc1 ZINC000366931082 555974381 /nfs/dbraw/zinc/97/43/81/555974381.db2.gz DCMBSWCVWVFQAB-PXNSSMCTSA-N 1 0 363.396 2.407 20 30 FEEDRO CN1C(=O)C[C@H]([NH2+]Cc2cnc3ccc(C#N)cn23)[C@H]1c1ccc(F)cc1 ZINC000366931081 555974642 /nfs/dbraw/zinc/97/46/42/555974642.db2.gz DCMBSWCVWVFQAB-FXAWDEMLSA-N 1 0 363.396 2.407 20 30 FEEDRO O=C(C[N@@H+]1CCC[C@]12CCOC2)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000366942572 555978127 /nfs/dbraw/zinc/97/81/27/555978127.db2.gz FEYKMMVVRCYNMQ-GOSISDBHSA-N 1 0 366.383 2.428 20 30 FEEDRO CN(C)CC[N@H+](C)CCCN(C)C(=O)[C@@]1(C#N)CCc2ccccc2C1 ZINC000367298231 556011749 /nfs/dbraw/zinc/01/17/49/556011749.db2.gz BRHNVLQFSVRWDY-NRFANRHFSA-N 1 0 356.514 2.027 20 30 FEEDRO C#CC[C@H](Cc1ccccc1)NC(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000367850032 556154116 /nfs/dbraw/zinc/15/41/16/556154116.db2.gz RCQHOIPINHVUBH-LJQANCHMSA-N 1 0 355.482 2.127 20 30 FEEDRO C=CCN(CCc1ccco1)C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000367929877 556174986 /nfs/dbraw/zinc/17/49/86/556174986.db2.gz JGFZIHIZGQZEAN-QGZVFWFLSA-N 1 0 360.502 2.188 20 30 FEEDRO C=CCN=c1[nH]cc(C(=O)N2CCC([N@H+]3CCOC[C@H]3C)CC2)s1 ZINC000622059766 556215114 /nfs/dbraw/zinc/21/51/14/556215114.db2.gz APJBVZMLMWJEGY-CYBMUJFWSA-N 1 0 350.488 2.066 20 30 FEEDRO COC(=O)c1ccccc1CC1CC[NH+](CC(=O)NC2(C#N)CCC2)CC1 ZINC000368259895 556261307 /nfs/dbraw/zinc/26/13/07/556261307.db2.gz GYUNYCQWIIOOKU-UHFFFAOYSA-N 1 0 369.465 2.290 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N2CCC(C(=O)Nc3ccccn3)CC2)CC1 ZINC000368520314 556333490 /nfs/dbraw/zinc/33/34/90/556333490.db2.gz ZRHBSUWEJPYUSE-UHFFFAOYSA-N 1 0 371.485 2.092 20 30 FEEDRO N#Cc1cc(NC[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)cc(N)c1[N+](=O)[O-] ZINC000368547146 556342147 /nfs/dbraw/zinc/34/21/47/556342147.db2.gz ZYXZAMLETIILLY-IRXDYDNUSA-N 1 0 367.409 2.096 20 30 FEEDRO C[C@@H](C(=O)NC[C@H]1COc2ccccc2O1)[NH+]1CCC(CCC#N)CC1 ZINC000515379560 562007995 /nfs/dbraw/zinc/00/79/95/562007995.db2.gz GHBHIOZRMWBOSC-RDJZCZTQSA-N 1 0 357.454 2.347 20 30 FEEDRO C=CCOc1ccc(CNC(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)cc1 ZINC000368618053 556364326 /nfs/dbraw/zinc/36/43/26/556364326.db2.gz ISBQBQMEHKIKDA-GOSISDBHSA-N 1 0 372.513 2.219 20 30 FEEDRO Cc1cc(NC(=O)N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)nn1-c1cccc(C#N)c1 ZINC000368800882 556416346 /nfs/dbraw/zinc/41/63/46/556416346.db2.gz SWNHKEFTTJSULB-AEFFLSMTSA-N 1 0 364.453 2.610 20 30 FEEDRO N#Cc1ccc(N2CCN(C(=O)N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)c(F)c1 ZINC000368884661 556438611 /nfs/dbraw/zinc/43/86/11/556438611.db2.gz VSDKANBUGWCIRN-IAGOWNOFSA-N 1 0 371.460 2.156 20 30 FEEDRO N#C[C@@H]1CN(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)CCN1C1CC1 ZINC000369218224 556538640 /nfs/dbraw/zinc/53/86/40/556538640.db2.gz GUBNQRGDKKUDMT-MSOLQXFVSA-N 1 0 371.485 2.188 20 30 FEEDRO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)C[C@@H]1CCCc2sc(C)nc21 ZINC000369556393 556630562 /nfs/dbraw/zinc/63/05/62/556630562.db2.gz LTZWGUOGMFQYNH-YPMHNXCESA-N 1 0 350.488 2.204 20 30 FEEDRO C#CCNC(=O)c1ccc(NC[C@@H]2CC[N@@H+](C)[C@@H]2c2cccs2)nc1 ZINC000369561387 556631594 /nfs/dbraw/zinc/63/15/94/556631594.db2.gz PAUPTKKTTRXFGP-KSSFIOAISA-N 1 0 354.479 2.611 20 30 FEEDRO Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N3CC[NH+](C(C)C)CC3)C2)n1 ZINC000369934733 556734951 /nfs/dbraw/zinc/73/49/51/556734951.db2.gz FHQBJSHXVTWVCP-SFHVURJKSA-N 1 0 355.486 2.031 20 30 FEEDRO C[C@@H]1CCC[N@H+](CCNC(=O)N2CCC(C#N)(c3ccccn3)CC2)C1 ZINC000370246361 556820897 /nfs/dbraw/zinc/82/08/97/556820897.db2.gz FCUKKKDBCSHNTE-QGZVFWFLSA-N 1 0 355.486 2.380 20 30 FEEDRO C[C@H](Oc1ccccc1C#N)C(=O)N1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000370824302 556980585 /nfs/dbraw/zinc/98/05/85/556980585.db2.gz QLMNQPFRNBEIJE-KNIMUDFMSA-N 1 0 357.454 2.036 20 30 FEEDRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)Nc2cccc(CC#N)c2)CC1=O ZINC000517014116 562071081 /nfs/dbraw/zinc/07/10/81/562071081.db2.gz IVUINMMPQUUSMJ-FUHWJXTLSA-N 1 0 354.454 2.024 20 30 FEEDRO C#CC[C@@H](C)NC(=O)N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000371057754 557061198 /nfs/dbraw/zinc/06/11/98/557061198.db2.gz XLXUDXZQKBEPAS-RTBURBONSA-N 1 0 369.513 2.037 20 30 FEEDRO CCc1nn(C)c(CC)c1CN1C[C@@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000371469018 557190420 /nfs/dbraw/zinc/19/04/20/557190420.db2.gz CMZZRZGQWWVZOC-SZNDQCEHSA-N 1 0 363.465 2.390 20 30 FEEDRO N#C[C@@H](c1cccs1)N1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C2CC2)CC1 ZINC000371470299 557190864 /nfs/dbraw/zinc/19/08/64/557190864.db2.gz KNYAASKVMBPPIE-SJORKVTESA-N 1 0 358.511 2.331 20 30 FEEDRO CC(C)NC(=O)NCCN1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000518175047 562105714 /nfs/dbraw/zinc/10/57/14/562105714.db2.gz AZNLBOSVFXTYFY-KRWDZBQOSA-N 1 0 363.893 2.230 20 30 FEEDRO CC[C@@H](C)[N@H+](C)CCNC(=O)[C@@H]1CCCN(c2nc(C)ccc2C#N)C1 ZINC000371843063 557309627 /nfs/dbraw/zinc/30/96/27/557309627.db2.gz QEAJOLMTPRYMFF-SJLPKXTDSA-N 1 0 357.502 2.325 20 30 FEEDRO CC(=O)N1CCC[N@H+](C[C@@H]2CCCN(c3cc(C)ncc3C#N)C2)CC1 ZINC000518364482 562109753 /nfs/dbraw/zinc/10/97/53/562109753.db2.gz ZIHMNVQCMOLHJY-SFHVURJKSA-N 1 0 355.486 2.032 20 30 FEEDRO C[N@@H+]1CCCC[C@@H]1CN1CCN(Cc2ccc(C#N)cc2[N+](=O)[O-])CC1 ZINC000518381151 562110163 /nfs/dbraw/zinc/11/01/63/562110163.db2.gz ISPOTSDUCYXERM-GOSISDBHSA-N 1 0 357.458 2.068 20 30 FEEDRO Cn1cc([C@@H]2[C@H](CNC(=O)c3c(F)cc(C#N)cc3F)CCC[N@@H+]2C)cn1 ZINC000371897223 557323671 /nfs/dbraw/zinc/32/36/71/557323671.db2.gz KMXHRTLKDPSYLC-UGSOOPFHSA-N 1 0 373.407 2.383 20 30 FEEDRO C[C@H](C(=O)N1CCC(Nc2ccc(C#N)cn2)CC1)[NH+]1CCCCCC1 ZINC000372120309 557385067 /nfs/dbraw/zinc/38/50/67/557385067.db2.gz MSVABRYNZYRVSO-MRXNPFEDSA-N 1 0 355.486 2.621 20 30 FEEDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000372341413 557444828 /nfs/dbraw/zinc/44/48/28/557444828.db2.gz BSFIYBCRFRYNMZ-MDASCCDHSA-N 1 0 354.454 2.124 20 30 FEEDRO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCCN(C(=O)[C@H]3CCCO3)CC2)cc1 ZINC000372434790 557469813 /nfs/dbraw/zinc/46/98/13/557469813.db2.gz FJILUYCZEUTCRP-QFBILLFUSA-N 1 0 357.454 2.191 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H](c2nccn2C)c2ccccc2)CC1 ZINC000519294905 562128750 /nfs/dbraw/zinc/12/87/50/562128750.db2.gz SOZVWEPIYRLOGZ-GOSISDBHSA-N 1 0 353.470 2.459 20 30 FEEDRO C=CCN(C(=O)NCc1nccn1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000372471362 557479400 /nfs/dbraw/zinc/47/94/00/557479400.db2.gz IEONAQPKNUKBPM-GOSISDBHSA-N 1 0 353.470 2.392 20 30 FEEDRO C=CC[C@H](C(=O)N1CCC(O)(C[NH+]2CCOCC2)CC1)c1ccccc1 ZINC000372504305 557488033 /nfs/dbraw/zinc/48/80/33/557488033.db2.gz MBWWXPCRZLEKEY-IBGZPJMESA-N 1 0 358.482 2.032 20 30 FEEDRO CC(C)(O)C[N@@H+]1CCCN(C(=O)CSCc2ccc(C#N)cc2)CC1 ZINC000372559425 557505154 /nfs/dbraw/zinc/50/51/54/557505154.db2.gz ZZKLOUMOSCWQBE-UHFFFAOYSA-N 1 0 361.511 2.097 20 30 FEEDRO C[C@H](NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)[C@H]1CCC[NH2+]C1 ZINC000519531862 562133795 /nfs/dbraw/zinc/13/37/95/562133795.db2.gz MDMPUZMHDOTPKL-RDJZCZTQSA-N 1 0 356.470 2.499 20 30 FEEDRO CN(C(=O)C(=O)Nc1cccc(C#N)c1)C1CCN(c2cc[nH+]cc2)CC1 ZINC000372635906 557526552 /nfs/dbraw/zinc/52/65/52/557526552.db2.gz CYBDHWWKSFSLOC-UHFFFAOYSA-N 1 0 363.421 2.019 20 30 FEEDRO COCCN(C)S(=O)(=O)[C@H]1CCC[N@H+](CCCCC(C)(C)C#N)C1 ZINC000373100243 557628308 /nfs/dbraw/zinc/62/83/08/557628308.db2.gz QWQNTWAESXCZCD-INIZCTEOSA-N 1 0 359.536 2.079 20 30 FEEDRO CC[NH+](CC)C[C@H](C)NC(=O)N1CCN(c2cccc(F)c2C#N)CC1 ZINC000519974182 562148369 /nfs/dbraw/zinc/14/83/69/562148369.db2.gz IZYCRPVWFBXXNK-HNNXBMFYSA-N 1 0 361.465 2.259 20 30 FEEDRO C=C(C)[C@H]1OCCC[C@H]1C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000373369286 557680774 /nfs/dbraw/zinc/68/07/74/557680774.db2.gz MWZJBJHXRQDIBC-LMWLFIIJSA-N 1 0 361.530 2.127 20 30 FEEDRO C[C@H](C(=O)NCc1ccccc1Cl)[NH+]1CCC(n2cnc(C#N)n2)CC1 ZINC000373408404 557688238 /nfs/dbraw/zinc/68/82/38/557688238.db2.gz XMNCZJHKIXWBMK-CYBMUJFWSA-N 1 0 372.860 2.145 20 30 FEEDRO COc1cc(C[NH+]2CCC(n3cnc(C#N)n3)CC2)cc(OC)c1OC ZINC000373464725 557698666 /nfs/dbraw/zinc/69/86/66/557698666.db2.gz HLCIDRFPZYCYLS-UHFFFAOYSA-N 1 0 357.414 2.013 20 30 FEEDRO COc1cc2c(c(C[NH+]3CCC(n4cnc(C#N)n4)CC3)c1)O[C@@H](C)C2 ZINC000373467524 557699216 /nfs/dbraw/zinc/69/92/16/557699216.db2.gz GTFDCYPGPGOFMI-ZDUSSCGKSA-N 1 0 353.426 2.319 20 30 FEEDRO N#Cc1ncn(C2CC[NH+](Cc3ccc(Cl)cc3-n3cncn3)CC2)n1 ZINC000373470681 557699948 /nfs/dbraw/zinc/69/99/48/557699948.db2.gz SWGPHHNPZMCRQW-UHFFFAOYSA-N 1 0 368.832 2.221 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N2C[C@@]3(CCOC3)OC(C)(C)C2)CC1 ZINC000373488165 557702945 /nfs/dbraw/zinc/70/29/45/557702945.db2.gz FWFKSBBHGRNACX-LJQANCHMSA-N 1 0 351.491 2.006 20 30 FEEDRO N#Cc1cccc(NC(=O)C(=O)N2CCC[C@H]([NH2+]Cc3ccccc3)C2)c1 ZINC000373652227 557731923 /nfs/dbraw/zinc/73/19/23/557731923.db2.gz ICEHEGBBRIPNLS-IBGZPJMESA-N 1 0 362.433 2.278 20 30 FEEDRO C[C@H]([NH2+]C[C@H]1CCCCN1S(=O)(=O)N(C)C)c1ccc(C#N)c(F)c1 ZINC000520650071 562160945 /nfs/dbraw/zinc/16/09/45/562160945.db2.gz ITVJUURKMSDKQN-XJKSGUPXSA-N 1 0 368.478 2.009 20 30 FEEDRO C=CCN1C(=O)c2ccc(C(=O)NC[C@@H](C)[NH+]3CCC(C)CC3)cc2C1=O ZINC000520868810 562165419 /nfs/dbraw/zinc/16/54/19/562165419.db2.gz XUBWRQBZTQDBGM-OAHLLOKOSA-N 1 0 369.465 2.319 20 30 FEEDRO CCC[NH+]1CCC(N2CCN(C(=O)c3ccc(C)c(C#N)c3)CC2)CC1 ZINC000374243478 557849631 /nfs/dbraw/zinc/84/96/31/557849631.db2.gz IGLGUCSGMTZNSJ-UHFFFAOYSA-N 1 0 354.498 2.499 20 30 FEEDRO N#CC1(c2ccccn2)CCN([C@H]2CCN(CC(F)(F)F)C2=O)CC1 ZINC000374291288 557859024 /nfs/dbraw/zinc/85/90/24/557859024.db2.gz JOTMCWGBUPXBME-ZDUSSCGKSA-N 1 0 352.360 2.102 20 30 FEEDRO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@H]1C[C@@H](O)c1cnn(C)c1 ZINC000374306500 557862593 /nfs/dbraw/zinc/86/25/93/557862593.db2.gz DWPVLIFMQUKDKD-MDASCCDHSA-N 1 0 367.453 2.207 20 30 FEEDRO N#Cc1ccc(OCC(=O)Nc2cnn(CC[NH+]3CCCCC3)c2)cc1 ZINC000374470810 557888201 /nfs/dbraw/zinc/88/82/01/557888201.db2.gz KJRAJSQVFQIQLS-UHFFFAOYSA-N 1 0 353.426 2.258 20 30 FEEDRO C[C@@H](CC#N)N(C)S(=O)(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000374538390 557896855 /nfs/dbraw/zinc/89/68/55/557896855.db2.gz QXPVVMXHGFMYMX-HNNXBMFYSA-N 1 0 356.536 2.099 20 30 FEEDRO C=CCc1ccc(OC[C@H](O)CN2CCn3cc(C)nc3C2)c(OC)c1 ZINC000374658575 557913092 /nfs/dbraw/zinc/91/30/92/557913092.db2.gz GXVHFAIMXHIFJD-QGZVFWFLSA-N 1 0 357.454 2.184 20 30 FEEDRO COc1cccc([C@@H]2[C@H]([NH2+][C@@H](C)C(=O)N(C)CCC#N)CCN2C2CC2)c1 ZINC000374766758 557927981 /nfs/dbraw/zinc/92/79/81/557927981.db2.gz MXQVTQQVNNWISN-CWFSZBLJSA-N 1 0 370.497 2.323 20 30 FEEDRO CS(=O)(=O)Nc1c[nH]nc1[C@H]1CCC[N@H+](Cc2cccc(C#N)c2)C1 ZINC000374818192 557935951 /nfs/dbraw/zinc/93/59/51/557935951.db2.gz JHQZRVRGPZZRAR-HNNXBMFYSA-N 1 0 359.455 2.032 20 30 FEEDRO C=CCNC(=O)[C@H](C)[N@@H+]1CCC2(C1)CCN(C(=O)OC(C)(C)C)CC2 ZINC000375016696 557964898 /nfs/dbraw/zinc/96/48/98/557964898.db2.gz FUIGJNHFNXQENE-HNNXBMFYSA-N 1 0 351.491 2.400 20 30 FEEDRO Cc1nn2c(C[NH2+]C3CCN(c4ccc(C#N)cn4)CC3)c(C)nc2s1 ZINC000375051514 557970179 /nfs/dbraw/zinc/97/01/79/557970179.db2.gz WGSQLHKIKRMYQJ-UHFFFAOYSA-N 1 0 367.482 2.433 20 30 FEEDRO Cn1cncc1[C@@H]1NC(=O)CC[C@H]1[NH2+]Cc1ccc(F)c(C#N)c1Cl ZINC000375246971 557998013 /nfs/dbraw/zinc/99/80/13/557998013.db2.gz BBLWHYXYCUWQDU-CXAGYDPISA-N 1 0 361.808 2.194 20 30 FEEDRO CN(CCC#N)C(=O)CC[N@@H+]1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000375291407 558005146 /nfs/dbraw/zinc/00/51/46/558005146.db2.gz GVXRYTGDFFGQMF-UHFFFAOYSA-N 1 0 350.413 2.239 20 30 FEEDRO COc1cc(C#N)ccc1OCC[NH2+][C@@H]1CCCC[C@@H]1N1CCOCC1 ZINC000375471061 558033052 /nfs/dbraw/zinc/03/30/52/558033052.db2.gz GJOADKGWJRLVPZ-MSOLQXFVSA-N 1 0 359.470 2.179 20 30 FEEDRO COc1cc(C#N)ccc1OCC[NH2+][C@H]1CCCC[C@@H]1N1CCOCC1 ZINC000375471065 558033262 /nfs/dbraw/zinc/03/32/62/558033262.db2.gz GJOADKGWJRLVPZ-ROUUACIJSA-N 1 0 359.470 2.179 20 30 FEEDRO Cc1cc(NC(=O)C2CC[NH+](CCCC3(C#N)CCOCC3)CC2)no1 ZINC000375605883 558055948 /nfs/dbraw/zinc/05/59/48/558055948.db2.gz FXTMATFDYGMEGZ-UHFFFAOYSA-N 1 0 360.458 2.734 20 30 FEEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1occ2c1CCOC2 ZINC000375721936 558072767 /nfs/dbraw/zinc/07/27/67/558072767.db2.gz GYBNSWVRJCEYRJ-UHFFFAOYSA-N 1 0 353.422 2.428 20 30 FEEDRO Cc1nc(C)n(C[C@H]2CCC[N@@H+]2CCC(=O)Nc2ccccc2C#N)n1 ZINC000375816511 558084199 /nfs/dbraw/zinc/08/41/99/558084199.db2.gz RWFJPDKWUNZJJH-QGZVFWFLSA-N 1 0 352.442 2.260 20 30 FEEDRO C=CCC[C@@H](O)C[N@@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3cnccn3)no2)C1 ZINC000375964840 558106322 /nfs/dbraw/zinc/10/63/22/558106322.db2.gz VYOUYUSOLZSLQP-SPYBWZPUSA-N 1 0 355.442 2.207 20 30 FEEDRO C[C@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)C1(S(C)(=O)=O)CC1 ZINC000376117079 558129210 /nfs/dbraw/zinc/12/92/10/558129210.db2.gz OLPLSUMGXWLYDF-HNNXBMFYSA-N 1 0 361.511 2.078 20 30 FEEDRO CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)c3cc(C#N)ccc3Cl)C2)CC1 ZINC000376117658 558129240 /nfs/dbraw/zinc/12/92/40/558129240.db2.gz QAQQJOFRWSICHB-MRXNPFEDSA-N 1 0 360.889 2.452 20 30 FEEDRO Cn1cc(N2CC[C@@H]([NH2+]C3CCN(Cc4ccc(C#N)cc4)CC3)C2)cn1 ZINC000376177172 558137415 /nfs/dbraw/zinc/13/74/15/558137415.db2.gz FUXPGYRBPHIJBN-HXUWFJFHSA-N 1 0 364.497 2.125 20 30 FEEDRO C[NH+]1CCC(NC(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)CC1 ZINC000376256694 558148509 /nfs/dbraw/zinc/14/85/09/558148509.db2.gz VIPHWHIDMKZHBP-UHFFFAOYSA-N 1 0 360.433 2.344 20 30 FEEDRO C#CCOc1ccccc1NC(=O)N1CCC[C@@H]1C[N@H+]1CCC[C@@H]1CO ZINC000376333224 558159113 /nfs/dbraw/zinc/15/91/13/558159113.db2.gz MZJBKIQINLHFMW-IAGOWNOFSA-N 1 0 357.454 2.152 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCNC(=O)[C@H]2c2ccccc2F)CC1 ZINC000376357715 558162649 /nfs/dbraw/zinc/16/26/49/558162649.db2.gz YXNCAPBWURZYGD-GOSISDBHSA-N 1 0 374.460 2.049 20 30 FEEDRO Cn1cc(-c2ccc(C[NH+]3CCC(n4cnc(C#N)n4)CC3)s2)cn1 ZINC000376686973 558208663 /nfs/dbraw/zinc/20/86/63/558208663.db2.gz FSIGHGJHXIBSTL-UHFFFAOYSA-N 1 0 353.455 2.449 20 30 FEEDRO Cc1nn(-c2ccccn2)c(C)c1C[NH+]1CCC(n2cnc(C#N)n2)CC1 ZINC000376691192 558209348 /nfs/dbraw/zinc/20/93/48/558209348.db2.gz RUOUOQGCENXUPA-UHFFFAOYSA-N 1 0 362.441 2.184 20 30 FEEDRO Cn1nnc2ccc(C(=O)NC3(C#N)CC[NH+](Cc4ccccc4)CC3)cc21 ZINC000376839958 558228381 /nfs/dbraw/zinc/22/83/81/558228381.db2.gz AXPPDKIQJRLRKO-UHFFFAOYSA-N 1 0 374.448 2.256 20 30 FEEDRO Cn1cc(C[NH2+][C@@H]2CCc3nnc(-c4ccc(F)cc4)n3C2)cc1C#N ZINC000377023977 558253061 /nfs/dbraw/zinc/25/30/61/558253061.db2.gz DSURDOWVRACZEP-MRXNPFEDSA-N 1 0 350.401 2.399 20 30 FEEDRO CC(C)(CCC#N)CNC(=O)NC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000377034521 558254106 /nfs/dbraw/zinc/25/41/06/558254106.db2.gz PJYDDSYLXLXEED-ZWKOTPCHSA-N 1 0 358.486 2.251 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N2C[C@H](CC)O[C@@]3(CCOC3)C2)CC1 ZINC000377075202 558260601 /nfs/dbraw/zinc/26/06/01/558260601.db2.gz XRONSJPFMRRLDU-HKUYNNGSSA-N 1 0 351.491 2.006 20 30 FEEDRO C=C(C)[C@H]1OCCC[C@H]1C(=O)N1CCC(C)(C[NH+]2CCOCC2)CC1 ZINC000377094867 558264651 /nfs/dbraw/zinc/26/46/51/558264651.db2.gz PMTCTOHEQUKDST-QZTJIDSGSA-N 1 0 350.503 2.319 20 30 FEEDRO Cc1oc(NC(=O)CN2CCCN(c3cncc(F)c3)CC2)c(C#N)c1C ZINC000377242840 558297216 /nfs/dbraw/zinc/29/72/16/558297216.db2.gz TUALVBWGUKINEX-UHFFFAOYSA-N 1 0 371.416 2.453 20 30 FEEDRO C#CCCS(=O)(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1ccc(OC)cc1 ZINC000377310600 558312253 /nfs/dbraw/zinc/31/22/53/558312253.db2.gz LFYDFQAYJPILIK-FUHWJXTLSA-N 1 0 350.484 2.021 20 30 FEEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000377578683 558370025 /nfs/dbraw/zinc/37/00/25/558370025.db2.gz AJAVVTZMWFFLAZ-HZPDHXFCSA-N 1 0 358.442 2.330 20 30 FEEDRO CCc1nc(CN2CCC[C@H]([N@H+](C)C[C@H](O)c3ccc(C#N)cc3)C2)no1 ZINC000378142237 558489921 /nfs/dbraw/zinc/48/99/21/558489921.db2.gz LTLVYFOLRPAXBZ-ROUUACIJSA-N 1 0 369.469 2.133 20 30 FEEDRO COc1cc(C#N)ccc1C[NH+]1CCC(CC(=O)N2CCOCC2)CC1 ZINC000378362886 558539284 /nfs/dbraw/zinc/53/92/84/558539284.db2.gz JGAKICAEYBRGGF-UHFFFAOYSA-N 1 0 357.454 2.028 20 30 FEEDRO Cn1cc(N2CC[C@@H]([NH2+]Cc3cn(C)nc3-c3ccc(C#N)cc3)C2)cn1 ZINC000378480315 558567003 /nfs/dbraw/zinc/56/70/03/558567003.db2.gz FKZVMFWSFLAHOK-GOSISDBHSA-N 1 0 361.453 2.061 20 30 FEEDRO CCOCCO[C@H](C)C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000378485074 558567345 /nfs/dbraw/zinc/56/73/45/558567345.db2.gz YXWIAPYTRGEWIM-QGZVFWFLSA-N 1 0 359.470 2.103 20 30 FEEDRO Cn1cc([C@H]([NH2+]C[C@H](O)COc2ccc(C#N)cc2)c2ccccc2)cn1 ZINC000378650033 558600843 /nfs/dbraw/zinc/60/08/43/558600843.db2.gz WIQWROVWQPYDAN-PZJWPPBQSA-N 1 0 362.433 2.411 20 30 FEEDRO C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]C[C@@H](O)COc1ccccc1C#N ZINC000389825716 558609950 /nfs/dbraw/zinc/60/99/50/558609950.db2.gz QHDYRZRWWCRYMP-DUXKGJEZSA-N 1 0 365.477 2.408 20 30 FEEDRO N#Cc1ccc(N2CCN(C(=O)N[C@H]3CC[N@@H+]4CCCC[C@@H]34)CC2)c(F)c1 ZINC000523818309 562220446 /nfs/dbraw/zinc/22/04/46/562220446.db2.gz ZKGQPNWSHQJIOR-HKUYNNGSSA-N 1 0 371.460 2.156 20 30 FEEDRO Cc1cc(NC(=O)N2CC[NH+](C3CCOCC3)CC2)c(C#N)cc1N(C)C ZINC000408408494 558674415 /nfs/dbraw/zinc/67/44/15/558674415.db2.gz PEUQLJBFIHBXNQ-UHFFFAOYSA-N 1 0 371.485 2.261 20 30 FEEDRO N#Cc1cc(F)ccc1CS(=O)(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000408460945 558679777 /nfs/dbraw/zinc/67/97/77/558679777.db2.gz SGEVFMPBSJYCCW-UHFFFAOYSA-N 1 0 365.474 2.477 20 30 FEEDRO C[C@@H](C(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)n1cnc(C#N)n1 ZINC000409458572 558694128 /nfs/dbraw/zinc/69/41/28/558694128.db2.gz IASSKIMLSIFNES-CVEARBPZSA-N 1 0 366.469 2.259 20 30 FEEDRO C[C@H](C(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1)n1cnc(C#N)n1 ZINC000409459521 558694209 /nfs/dbraw/zinc/69/42/09/558694209.db2.gz RTGPQPBHQNQWHR-JKSUJKDBSA-N 1 0 366.469 2.402 20 30 FEEDRO C[C@H](C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C)n1cnc(C#N)n1 ZINC000409461922 558694522 /nfs/dbraw/zinc/69/45/22/558694522.db2.gz AYDBPKVIEWNZEU-HZPDHXFCSA-N 1 0 366.469 2.402 20 30 FEEDRO CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000409529494 558700457 /nfs/dbraw/zinc/70/04/57/558700457.db2.gz PFASXFWIARAFGD-HUUCEWRRSA-N 1 0 370.544 2.201 20 30 FEEDRO C[NH+](C)CC(C)(C)CNS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000409526984 558700623 /nfs/dbraw/zinc/70/06/23/558700623.db2.gz AACFPPUKFMZQDG-UHFFFAOYSA-N 1 0 363.405 2.443 20 30 FEEDRO CCN(CCC#N)S(=O)(=O)NCc1cccc(C[NH+](CC)CC)c1 ZINC000409586588 558705353 /nfs/dbraw/zinc/70/53/53/558705353.db2.gz LAEUAMGDROKFPU-UHFFFAOYSA-N 1 0 352.504 2.098 20 30 FEEDRO C[C@H](C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1)n1cnc(C#N)n1 ZINC000409594934 558706838 /nfs/dbraw/zinc/70/68/38/558706838.db2.gz CJLXPMISXQFYTI-MRXNPFEDSA-N 1 0 366.469 2.403 20 30 FEEDRO C=CCN1CC[C@H](N(C)C(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)C1=O ZINC000410108734 558739116 /nfs/dbraw/zinc/73/91/16/558739116.db2.gz XTWMWPMMKBYYLR-MJGOQNOKSA-N 1 0 373.472 2.283 20 30 FEEDRO C=CCN(CCc1ccco1)C(=O)C(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000410821734 558814375 /nfs/dbraw/zinc/81/43/75/558814375.db2.gz CNCCGXGSJLBEKK-SFHVURJKSA-N 1 0 373.497 2.027 20 30 FEEDRO Cc1cc(NC(=O)C(=O)NCC(C)(C)CCC#N)ccc1OCC[NH+](C)C ZINC000411530595 558911627 /nfs/dbraw/zinc/91/16/27/558911627.db2.gz VYFHGBQKTTXEKW-UHFFFAOYSA-N 1 0 374.485 2.320 20 30 FEEDRO C[N@@H+]1CCC[C@@H](CCNC(=O)C(=O)Nc2ccc(CC#N)cc2Cl)C1 ZINC000411672077 558940650 /nfs/dbraw/zinc/94/06/50/558940650.db2.gz MUZNPMYBIJEANU-AWEZNQCLSA-N 1 0 362.861 2.193 20 30 FEEDRO CC(C)[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)C[C@@H]1CCC(=O)N1 ZINC000412076104 559010585 /nfs/dbraw/zinc/01/05/85/559010585.db2.gz KSPOQHQAWKFCFX-ZDUSSCGKSA-N 1 0 374.510 2.426 20 30 FEEDRO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@H](CO)[C@H]2C)cc1 ZINC000412095558 559012774 /nfs/dbraw/zinc/01/27/74/559012774.db2.gz XXDTVEQRNMUUFQ-IAGOWNOFSA-N 1 0 359.470 2.425 20 30 FEEDRO C[NH+](C)C[C@@H]1CCN(C(=O)NC2CCC(Oc3ncccc3C#N)CC2)C1 ZINC000526110875 562267242 /nfs/dbraw/zinc/26/72/42/562267242.db2.gz SKXBEJXXKQGXFJ-ZLPCBKJTSA-N 1 0 371.485 2.236 20 30 FEEDRO COc1ccc(C[C@H](C)[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cn1 ZINC000414140702 559150510 /nfs/dbraw/zinc/15/05/10/559150510.db2.gz RDKKPMKFZRFYCP-KXBFYZLASA-N 1 0 364.449 2.284 20 30 FEEDRO C[NH+](C)CCN(C1CC1)S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000414467687 559166440 /nfs/dbraw/zinc/16/64/40/559166440.db2.gz WZUPLMMYNKTUNF-UHFFFAOYSA-N 1 0 372.288 2.035 20 30 FEEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000414732150 559182923 /nfs/dbraw/zinc/18/29/23/559182923.db2.gz GEJJXJLMESJTAG-UHFFFAOYSA-N 1 0 350.422 2.394 20 30 FEEDRO N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N3CC[C@@H](C[NH3+])C3)cc2)cc1 ZINC000415358612 559227330 /nfs/dbraw/zinc/22/73/30/559227330.db2.gz UOXYKRZTBUBDBQ-HNNXBMFYSA-N 1 0 364.405 2.096 20 30 FEEDRO N#Cc1cccc(Oc2ccc(NC(=O)C(=O)NC[C@H]3CCC[NH2+]3)cc2)c1 ZINC000415374430 559228578 /nfs/dbraw/zinc/22/85/78/559228578.db2.gz IRYXDSAIHISUPX-MRXNPFEDSA-N 1 0 364.405 2.157 20 30 FEEDRO COc1cc([C@@H](C#N)NC(=O)C23CCC[NH+]2CCC3)cc(OC)c1OC ZINC000415374515 559228624 /nfs/dbraw/zinc/22/86/24/559228624.db2.gz IZMHNSXLCOYQRJ-CQSZACIVSA-N 1 0 359.426 2.022 20 30 FEEDRO CC[C@H](C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1)N1CCCC1=O ZINC000415401356 559231738 /nfs/dbraw/zinc/23/17/38/559231738.db2.gz PNKDWDNKPUCKJT-GOSISDBHSA-N 1 0 368.481 2.062 20 30 FEEDRO N#Cc1ccc(-n2ccc(NC(=O)NCCC[NH2+]C3CC3)n2)c(Cl)c1 ZINC000415437304 559236753 /nfs/dbraw/zinc/23/67/53/559236753.db2.gz BUGJCAUEROILFP-UHFFFAOYSA-N 1 0 358.833 2.661 20 30 FEEDRO N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)N[C@@H](C[NH3+])C2CCCC2)n1 ZINC000415439809 559237250 /nfs/dbraw/zinc/23/72/50/559237250.db2.gz DLFDWXJZBGLXOL-HNNXBMFYSA-N 1 0 372.860 3.036 20 30 FEEDRO CCC([NH3+])(CC)CNC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 ZINC000415470008 559240776 /nfs/dbraw/zinc/24/07/76/559240776.db2.gz YGJFXCBDNSGEAX-UHFFFAOYSA-N 1 0 360.849 3.036 20 30 FEEDRO N#Cc1ccc(-n2ccc(NC(=O)NCCC[C@H]3CCC[NH2+]3)n2)c(Cl)c1 ZINC000415471179 559240963 /nfs/dbraw/zinc/24/09/63/559240963.db2.gz ZYNGCBJPQQHAAN-CQSZACIVSA-N 1 0 372.860 3.051 20 30 FEEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000415487833 559242466 /nfs/dbraw/zinc/24/24/66/559242466.db2.gz UTUQMPUJFNZXKC-ZDUSSCGKSA-N 1 0 362.499 2.463 20 30 FEEDRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)Nc1cccc(C#Cc2ccccc2)c1 ZINC000415499545 559243730 /nfs/dbraw/zinc/24/37/30/559243730.db2.gz RGPZQUZAPLXHKY-FQEVSTJZSA-N 1 0 361.445 2.235 20 30 FEEDRO CCC[NH2+]CCNC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000415519923 559245995 /nfs/dbraw/zinc/24/59/95/559245995.db2.gz QNAWGRIGEZBACW-UHFFFAOYSA-N 1 0 366.421 2.405 20 30 FEEDRO N#Cc1ccccc1Oc1ccc(NC(=O)C(=O)NC[C@H]([NH3+])C2CC2)cc1 ZINC000415535254 559247293 /nfs/dbraw/zinc/24/72/93/559247293.db2.gz CJZWCVYEAAHYMH-KRWDZBQOSA-N 1 0 364.405 2.143 20 30 FEEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N1C[C@H](C)[NH2+]C[C@@H]1C ZINC000415572978 559251218 /nfs/dbraw/zinc/25/12/18/559251218.db2.gz VAMNYVMQSVBARA-RDBSUJKOSA-N 1 0 360.483 2.086 20 30 FEEDRO C[C@]1(CNC(=O)C(=O)Nc2ccccc2SCCC#N)CCC[NH2+]C1 ZINC000415576040 559251563 /nfs/dbraw/zinc/25/15/63/559251563.db2.gz FREBVQIRAHYOOD-SFHVURJKSA-N 1 0 360.483 2.137 20 30 FEEDRO CC(C)[C@H]([NH3+])CCN(C)C(=O)Nc1ccc(S(=O)(=O)[C@H](C)C#N)cc1 ZINC000415601160 559254263 /nfs/dbraw/zinc/25/42/63/559254263.db2.gz PNPAYECUOGLXDW-CZUORRHYSA-N 1 0 366.487 2.209 20 30 FEEDRO CC(C)Oc1ccc(NC(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)cc1C#N ZINC000415683598 559261399 /nfs/dbraw/zinc/26/13/99/559261399.db2.gz ZTVPPTKPERNJPH-KRWDZBQOSA-N 1 0 372.469 2.178 20 30 FEEDRO C[C@@H](CCCC[NH3+])NC(=O)C(=O)Nc1cccc(C#Cc2ccccn2)c1 ZINC000415788623 559271217 /nfs/dbraw/zinc/27/12/17/559271217.db2.gz QUHLVXLKFCYKFP-INIZCTEOSA-N 1 0 364.449 2.054 20 30 FEEDRO C[C@H]1CCN(C(=O)C(=O)Nc2scc(C(C)(C)C)c2C#N)C[C@@H]1C[NH3+] ZINC000415856260 559278977 /nfs/dbraw/zinc/27/89/77/559278977.db2.gz ZMHWCUUCEBRRDL-RYUDHWBXSA-N 1 0 362.499 2.299 20 30 FEEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)NCCC1=CC[NH2+]CC1 ZINC000415870678 559280219 /nfs/dbraw/zinc/28/02/19/559280219.db2.gz GBALBBXDZBPDTJ-AWEZNQCLSA-N 1 0 372.494 2.303 20 30 FEEDRO CC(C)(CCC#N)CNC(=O)Nc1ccccc1OCCN1CC[NH2+]CC1 ZINC000416027720 559289840 /nfs/dbraw/zinc/28/98/40/559289840.db2.gz KSOAFAOCNWCKAM-UHFFFAOYSA-N 1 0 373.501 2.422 20 30 FEEDRO N#Cc1ccc(Br)cc1S(=O)(=O)NCCC[NH+]1CCCC1 ZINC000416367906 559307866 /nfs/dbraw/zinc/30/78/66/559307866.db2.gz DZAOXYJDHRNKBP-UHFFFAOYSA-N 1 0 372.288 2.085 20 30 FEEDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000416684754 559329581 /nfs/dbraw/zinc/32/95/81/559329581.db2.gz LRNNGTVMXFFVLB-MJGOQNOKSA-N 1 0 356.470 2.346 20 30 FEEDRO C[C@@H](CNC(=O)N[C@H]1CCCc2cc(C#N)ccc21)C[NH+]1CCN(C)CC1 ZINC000416688320 559329862 /nfs/dbraw/zinc/32/98/62/559329862.db2.gz PABOJIAUIACLEO-JXFKEZNVSA-N 1 0 369.513 2.118 20 30 FEEDRO O=C(NCC#Cc1cccc(C(F)(F)F)c1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000416956658 559340240 /nfs/dbraw/zinc/34/02/40/559340240.db2.gz YDXWTPQEQAUBPX-HOCLYGCPSA-N 1 0 351.372 2.450 20 30 FEEDRO N#Cc1ccc(N2CCC[C@H](NC(=O)NC3CCC([NH3+])CC3)C2)c(F)c1 ZINC000417582335 559367718 /nfs/dbraw/zinc/36/77/18/559367718.db2.gz VHQMCDYEJZPDIX-GPANFISMSA-N 1 0 359.449 2.235 20 30 FEEDRO C=CCOc1ccccc1CNC(=O)N1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000417596794 559368699 /nfs/dbraw/zinc/36/86/99/559368699.db2.gz LPESDUKFPVALKK-KRWDZBQOSA-N 1 0 359.470 2.148 20 30 FEEDRO C=CCOc1ccc(CN2CCC[C@@H]2C(=O)NCC(=O)OC)cc1Cl ZINC000418119558 559390871 /nfs/dbraw/zinc/39/08/71/559390871.db2.gz GPUGYLVFFSUROC-OAHLLOKOSA-N 1 0 366.845 2.158 20 30 FEEDRO N#C[C@H]1CN(C(=O)NCC2([NH3+])CCCCC2)CCN1Cc1ccccc1 ZINC000418298603 559396706 /nfs/dbraw/zinc/39/67/06/559396706.db2.gz QGZLRZIIKVFPCP-SFHVURJKSA-N 1 0 355.486 2.068 20 30 FEEDRO N#Cc1c(F)cccc1N1CCN(C(=O)N[C@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000418433889 559401491 /nfs/dbraw/zinc/40/14/91/559401491.db2.gz VIEMROSBFRIWAH-YOEHRIQHSA-N 1 0 359.449 2.046 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000418512150 559404421 /nfs/dbraw/zinc/40/44/21/559404421.db2.gz DRMDMSNXQNOTHH-UHFFFAOYSA-N 1 0 357.502 2.021 20 30 FEEDRO C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000419060499 559426595 /nfs/dbraw/zinc/42/65/95/559426595.db2.gz TYPPOOHYNWCRIU-WOJBJXKFSA-N 1 0 369.509 2.281 20 30 FEEDRO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000419327458 559437403 /nfs/dbraw/zinc/43/74/03/559437403.db2.gz CZZJJRGNCIKBAD-GJZGRUSLSA-N 1 0 356.388 2.324 20 30 FEEDRO N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)NC[C@H]1CCC[N@H+]1CCCO ZINC000419604955 559449623 /nfs/dbraw/zinc/44/96/23/559449623.db2.gz CZJHYIPUSGZYEV-IEBWSBKVSA-N 1 0 356.470 2.082 20 30 FEEDRO C=C(C)[C@@H](NC(=O)C(=O)NCC[C@@H]1CCC[NH2+]C1)c1ccc(F)c(F)c1 ZINC000419669952 559452904 /nfs/dbraw/zinc/45/29/04/559452904.db2.gz BTXORAFTNLAVKL-SUMWQHHRSA-N 1 0 365.424 2.204 20 30 FEEDRO C=C(C)[C@H](NC(=O)C(=O)N(C)CC(C)(C)C[NH3+])c1ccc(F)c(F)c1 ZINC000419672981 559453111 /nfs/dbraw/zinc/45/31/11/559453111.db2.gz GYDGCPHIQIKLQS-HNNXBMFYSA-N 1 0 353.413 2.142 20 30 FEEDRO C=CCN(CCc1ccco1)C(=O)C(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000420121545 559473812 /nfs/dbraw/zinc/47/38/12/559473812.db2.gz KMUJPKRAXYSCTK-OAHLLOKOSA-N 1 0 355.438 2.173 20 30 FEEDRO CN(C[C@H]1CCC[N@@H+]1C)S(=O)(=O)c1cccc(Br)c1C#N ZINC000420734523 559501188 /nfs/dbraw/zinc/50/11/88/559501188.db2.gz JIRKRSHMRAQZSB-LLVKDONJSA-N 1 0 372.288 2.035 20 30 FEEDRO CN(C[C@@H]1CCC[N@@H+]1C)S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000420757855 559502669 /nfs/dbraw/zinc/50/26/69/559502669.db2.gz CAKSGLHQAJIQBX-ZDUSSCGKSA-N 1 0 361.389 2.292 20 30 FEEDRO CCOC(=O)c1c(NC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)c(C#N)cn1CC ZINC000421166044 559528184 /nfs/dbraw/zinc/52/81/84/559528184.db2.gz OGPDZLCDISZBMC-HUUCEWRRSA-N 1 0 373.457 2.305 20 30 FEEDRO CCOC(=O)c1c(NC(=O)NC[C@@H](C)[NH+](CC)CC)c(C#N)cn1CC ZINC000421166093 559528259 /nfs/dbraw/zinc/52/82/59/559528259.db2.gz OPWZYFBSMYNWBJ-CYBMUJFWSA-N 1 0 363.462 2.408 20 30 FEEDRO CCOC(=O)c1c(NC(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)c(C#N)cn1CC ZINC000421179333 559529269 /nfs/dbraw/zinc/52/92/69/559529269.db2.gz ZTNIZCXDALJDSP-GXTWGEPZSA-N 1 0 361.446 2.161 20 30 FEEDRO C=C[C@](C)(CCOC)C(=O)N1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000422015691 559560858 /nfs/dbraw/zinc/56/08/58/559560858.db2.gz HKDFVGWYYAMRCG-HXUWFJFHSA-N 1 0 351.535 2.234 20 30 FEEDRO C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000422086501 559564370 /nfs/dbraw/zinc/56/43/70/559564370.db2.gz OQCAATXYUJLBIV-HKUYNNGSSA-N 1 0 357.498 2.138 20 30 FEEDRO C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)NC1CC[NH+](CC=C)CC1 ZINC000422291287 559576040 /nfs/dbraw/zinc/57/60/40/559576040.db2.gz CYLBFXWKWSYMAW-LJQANCHMSA-N 1 0 355.482 2.057 20 30 FEEDRO C[C@@H]1C[C@@H](NC(=O)C(=O)NCC(C)(C)CC#N)CC[N@@H+]1Cc1ccccc1 ZINC000422307697 559577349 /nfs/dbraw/zinc/57/73/49/559577349.db2.gz OMHFXMXLRJNVJM-AEFFLSMTSA-N 1 0 370.497 2.212 20 30 FEEDRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)NCC(C)(C)CC#N)C1 ZINC000422309034 559577617 /nfs/dbraw/zinc/57/76/17/559577617.db2.gz KMJUMWQDRGJAAA-HNNXBMFYSA-N 1 0 350.507 2.059 20 30 FEEDRO C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000422349897 559580502 /nfs/dbraw/zinc/58/05/02/559580502.db2.gz LIPCYIYVQBCDOQ-XEVCZEQESA-N 1 0 369.509 2.423 20 30 FEEDRO CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)C(=O)NCC(C)(C)CC#N ZINC000422396019 559584851 /nfs/dbraw/zinc/58/48/51/559584851.db2.gz HWWPPJBESXRTMJ-SFHVURJKSA-N 1 0 372.513 2.315 20 30 FEEDRO C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000422536672 559593547 /nfs/dbraw/zinc/59/35/47/559593547.db2.gz DDSLCNHCZPBYKK-UHOSZYNNSA-N 1 0 357.498 2.231 20 30 FEEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)NC1CCC([NH+](C)C)CC1 ZINC000422627225 559598598 /nfs/dbraw/zinc/59/85/98/559598598.db2.gz NKVYQXFVOZAIRM-UHFFFAOYSA-N 1 0 368.481 2.062 20 30 FEEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000423170631 559621857 /nfs/dbraw/zinc/62/18/57/559621857.db2.gz MKNSBVDTVNGUTJ-SFHVURJKSA-N 1 0 361.486 2.042 20 30 FEEDRO C=CCN(Cc1ccccc1F)C(=O)C(=O)N1CCC(C[NH2+]CC)CC1 ZINC000423177997 559622169 /nfs/dbraw/zinc/62/21/69/559622169.db2.gz FLSPPTWJKXSGTI-UHFFFAOYSA-N 1 0 361.461 2.188 20 30 FEEDRO C=CCN(Cc1ccccc1F)C(=O)C(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000423188181 559622386 /nfs/dbraw/zinc/62/23/86/559622386.db2.gz PTRZCUBLTGGYGB-DLBZAZTESA-N 1 0 373.472 2.188 20 30 FEEDRO N#CCCC[C@H]([NH3+])C(=O)NCc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000424066940 559653459 /nfs/dbraw/zinc/65/34/59/559653459.db2.gz UVMUOMOVMMIXFA-JTQLQIEISA-N 1 0 374.754 2.039 20 30 FEEDRO Cc1ccc(NC(=O)NC[C@@H]2CCCN(C(=O)[C@@H]([NH3+])CCCC#N)C2)cc1 ZINC000424113897 559655128 /nfs/dbraw/zinc/65/51/28/559655128.db2.gz OXDSWPVQDMCHHS-WMZOPIPTSA-N 1 0 371.485 2.376 20 30 FEEDRO COc1cc(NC2CCN(C(=O)[C@H]([NH3+])CCCC#N)CC2)cc(OC)c1 ZINC000424140927 559655866 /nfs/dbraw/zinc/65/58/66/559655866.db2.gz GAWDTOBINZSQFR-GOSISDBHSA-N 1 0 360.458 2.128 20 30 FEEDRO COc1cc(NC(=O)[C@@H]([NH3+])CCCC#N)cc(OC)c1Br ZINC000424163771 559656539 /nfs/dbraw/zinc/65/65/39/559656539.db2.gz AQKHMSLAGZFGHK-JTQLQIEISA-N 1 0 356.220 2.426 20 30 FEEDRO N#CCCC[C@@H]([NH3+])C(=O)Nc1ccc(CN2CCOCC2)c(Cl)c1 ZINC000424165023 559656650 /nfs/dbraw/zinc/65/66/50/559656650.db2.gz DBFBHKZHQJIYJI-MRXNPFEDSA-N 1 0 350.850 2.132 20 30 FEEDRO Cc1cc(C[NH3+])cc(NC(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)c1 ZINC000424423565 559663987 /nfs/dbraw/zinc/66/39/87/559663987.db2.gz GOTIZFGXOMGKST-KRWDZBQOSA-N 1 0 351.410 2.406 20 30 FEEDRO C=CCCn1cc(C(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)nn1 ZINC000424643509 559672156 /nfs/dbraw/zinc/67/21/56/559672156.db2.gz LMTGEIMIRDGRAS-GOSISDBHSA-N 1 0 353.470 2.149 20 30 FEEDRO C=CCC1(C(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)CCOCC1 ZINC000424753840 559675715 /nfs/dbraw/zinc/67/57/15/559675715.db2.gz BYXCSVUEHNIWAS-LJQANCHMSA-N 1 0 358.482 2.242 20 30 FEEDRO C[N@@H+]1C[C@@H]2CCCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3C#N)[C@@H]2C1 ZINC000425217934 559691758 /nfs/dbraw/zinc/69/17/58/559691758.db2.gz WQQZSXAXPCIIIH-SMDDNHRTSA-N 1 0 373.400 2.292 20 30 FEEDRO C[C@@H](CNC(=O)N(C)[C@@H](C)c1cccc(C#N)c1)C[NH+]1CCN(C)CC1 ZINC000425468433 559703765 /nfs/dbraw/zinc/70/37/65/559703765.db2.gz DOXNWYOZOAJBSE-IRXDYDNUSA-N 1 0 357.502 2.144 20 30 FEEDRO COCC(C)(C)[NH+]1CCN(Cc2nnc(-c3cccc(C#N)c3)o2)CC1 ZINC000425501661 559705977 /nfs/dbraw/zinc/70/59/77/559705977.db2.gz FPTOLGVHNFTIGN-UHFFFAOYSA-N 1 0 355.442 2.151 20 30 FEEDRO COCC[N@H+](C)CCCC1CCN(C(=O)N[C@@H]2CC[C@H](C#N)C2)CC1 ZINC000425610365 559711564 /nfs/dbraw/zinc/71/15/64/559711564.db2.gz LTXHHFQQJJYPIR-ZWKOTPCHSA-N 1 0 350.507 2.459 20 30 FEEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)N[C@@H]3CC[C@H](C#N)C3)CC2)cc1 ZINC000425613831 559711672 /nfs/dbraw/zinc/71/16/72/559711672.db2.gz UBPHVTKDIDZBCS-RBUKOAKNSA-N 1 0 351.454 2.468 20 30 FEEDRO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000425652555 559713133 /nfs/dbraw/zinc/71/31/33/559713133.db2.gz NSDWQFVZVYYFAV-INIZCTEOSA-N 1 0 357.502 2.287 20 30 FEEDRO N#Cc1cccc(NC(=O)C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)c1 ZINC000425810349 559720632 /nfs/dbraw/zinc/72/06/32/559720632.db2.gz LUIXUXLESYKAMP-AZUAARDMSA-N 1 0 374.444 2.230 20 30 FEEDRO C=CCn1cc(CNC(=O)NC(C)(C)C[N@H+](C)Cc2ccccc2)nn1 ZINC000425874731 559723602 /nfs/dbraw/zinc/72/36/02/559723602.db2.gz LPGVEUZCYMMBGN-UHFFFAOYSA-N 1 0 356.474 2.174 20 30 FEEDRO C[C@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000425873458 559723606 /nfs/dbraw/zinc/72/36/06/559723606.db2.gz QAFBEVDIHUMNBH-OAHLLOKOSA-N 1 0 370.497 2.457 20 30 FEEDRO C[C@@H](NC(=O)C(=O)N(C)[C@@H](C)c1cccc(C#N)c1)C(C)(C)C[NH+](C)C ZINC000425877616 559723745 /nfs/dbraw/zinc/72/37/45/559723745.db2.gz CIDRPBHGWZGOJL-LSDHHAIUSA-N 1 0 358.486 2.170 20 30 FEEDRO CCCC[NH+]1CCC(NC(=O)C(=O)N(C)[C@H](C)c2cccc(C#N)c2)CC1 ZINC000425889661 559724110 /nfs/dbraw/zinc/72/41/10/559724110.db2.gz VFGGECFLSGMQOV-MRXNPFEDSA-N 1 0 370.497 2.458 20 30 FEEDRO C[C@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)N[C@@H](C)C[NH+]1CCCCCC1 ZINC000425891002 559724192 /nfs/dbraw/zinc/72/41/92/559724192.db2.gz OIFHJHBHJFGXCY-DLBZAZTESA-N 1 0 370.497 2.458 20 30 FEEDRO N#Cc1cccc(F)c1CC(=O)Nc1cccc(C[N@H+]2CC[C@@H](O)C2)c1 ZINC000428547701 559777765 /nfs/dbraw/zinc/77/77/65/559777765.db2.gz NOQCMOAZZVALAU-QGZVFWFLSA-N 1 0 353.397 2.445 20 30 FEEDRO C=CCN(CCC#N)CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000428865060 559785116 /nfs/dbraw/zinc/78/51/16/559785116.db2.gz FVJWOALTRPICCR-UHFFFAOYSA-N 1 0 354.498 2.477 20 30 FEEDRO C=CCN(CCC#N)CC(=O)N1CCC[N@@H+](Cc2ccc(OC)cc2)CC1 ZINC000428872483 559785309 /nfs/dbraw/zinc/78/53/09/559785309.db2.gz NMOHRZZOSOWLIX-UHFFFAOYSA-N 1 0 370.497 2.131 20 30 FEEDRO C[NH+](C)C[C@H]1CCN(C(=O)c2cnn(CCC#N)c2-c2ccccc2)C1 ZINC000429787837 559805734 /nfs/dbraw/zinc/80/57/34/559805734.db2.gz PHEUJOLXGFGDRF-MRXNPFEDSA-N 1 0 351.454 2.487 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCC(O)(C(F)F)CC1)C(C)C ZINC000429943819 559809392 /nfs/dbraw/zinc/80/93/92/559809392.db2.gz KPIMKLSXLWHAJK-HNNXBMFYSA-N 1 0 359.461 2.487 20 30 FEEDRO C[C@@H]1C[NH+](CCCCNC(=O)c2ncc(C#N)cc2Cl)C[C@@H](C)O1 ZINC000432196052 559854060 /nfs/dbraw/zinc/85/40/60/559854060.db2.gz MGGBWRICNMMHPR-CHWSQXEVSA-N 1 0 350.850 2.226 20 30 FEEDRO N#CCCC[C@H]([NH2+]CC(=O)N1CCN(C(=O)C2CC2)CC1)c1ccccc1 ZINC000433016021 559870096 /nfs/dbraw/zinc/87/00/96/559870096.db2.gz MXUCDIVKGOQGKL-IBGZPJMESA-N 1 0 368.481 2.092 20 30 FEEDRO CC[NH+](CC)C[C@@H](C)NS(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000433348241 559877899 /nfs/dbraw/zinc/87/78/99/559877899.db2.gz TYZGQQWRNAADNL-LLVKDONJSA-N 1 0 374.304 2.329 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)NCC2(CO)CC(c3ccccc3)C2)CC1 ZINC000434175005 559895205 /nfs/dbraw/zinc/89/52/05/559895205.db2.gz SFGDANPBTSMILE-UHFFFAOYSA-N 1 0 357.498 2.492 20 30 FEEDRO CSc1nc(C2CC2)cc(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)c1C#N ZINC000434454487 559900697 /nfs/dbraw/zinc/90/06/97/559900697.db2.gz ATPYROBFHJCISP-CQSZACIVSA-N 1 0 374.510 2.129 20 30 FEEDRO N#CCCn1cc(C[N@H+]2CCCC[C@H]2CC(N)=O)c(-c2ccncc2)n1 ZINC000435132563 559916989 /nfs/dbraw/zinc/91/69/89/559916989.db2.gz KGBICHVRHOWCEX-KRWDZBQOSA-N 1 0 352.442 2.089 20 30 FEEDRO N#Cc1cc(F)ccc1NC(=O)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000435150861 559917192 /nfs/dbraw/zinc/91/71/92/559917192.db2.gz UPPOZWDUEVVORG-FQEVSTJZSA-N 1 0 368.412 2.456 20 30 FEEDRO C=C[C@@](C)(CCOC)C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000437642493 559967208 /nfs/dbraw/zinc/96/72/08/559967208.db2.gz VQGIYUHUCIFTAH-NRFANRHFSA-N 1 0 359.514 2.149 20 30 FEEDRO N#Cc1cccc(NC(=O)CC[N@@H+](CCC(N)=O)Cc2ccccc2)c1 ZINC000438763289 559983253 /nfs/dbraw/zinc/98/32/53/559983253.db2.gz ADRXGYQPSHIUMI-UHFFFAOYSA-N 1 0 350.422 2.264 20 30 FEEDRO CC[NH+]1CCN([C@@H]2CCN(Cc3ccc(C#N)cc3OC(F)F)C2)CC1 ZINC000439532153 559996529 /nfs/dbraw/zinc/99/65/29/559996529.db2.gz SCYGRFWLVUBVLW-QGZVFWFLSA-N 1 0 364.440 2.371 20 30 FEEDRO CC#CCCNC(=O)C(=O)Nc1ccc2c(ccn2CC[NH+](CC)CC)c1 ZINC000440710767 560016943 /nfs/dbraw/zinc/01/69/43/560016943.db2.gz HPWUJBLULAEADF-UHFFFAOYSA-N 1 0 368.481 2.451 20 30 FEEDRO COc1cc(CNC(=O)c2ccc(C#N)c(O)c2)ccc1OCC[NH+](C)C ZINC000442946194 560063076 /nfs/dbraw/zinc/06/30/76/560063076.db2.gz UCTCUJXZYAYLAJ-UHFFFAOYSA-N 1 0 369.421 2.143 20 30 FEEDRO CC[NH+]1CCN([C@H]2CCN(c3ccc(C(F)(F)F)c(C#N)n3)C2)CC1 ZINC000443523822 560086287 /nfs/dbraw/zinc/08/62/87/560086287.db2.gz QSQMRXOENWUGRK-ZDUSSCGKSA-N 1 0 353.392 2.188 20 30 FEEDRO C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC000443866376 560094770 /nfs/dbraw/zinc/09/47/70/560094770.db2.gz FLUZWHYVXYXCDO-APWZRJJASA-N 1 0 357.454 2.039 20 30 FEEDRO N#Cc1ccc(NC(=O)NCC[N@@H+]2CCCOCC2)cc1C(F)(F)F ZINC000446331226 560144447 /nfs/dbraw/zinc/14/44/47/560144447.db2.gz LVLWTABLWTXTJC-UHFFFAOYSA-N 1 0 356.348 2.421 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)NCc1ccc(CN2CC[NH+](CC)CC2)cc1 ZINC000448705394 560195217 /nfs/dbraw/zinc/19/52/17/560195217.db2.gz BHMPFGUYRIRVQE-UXHICEINSA-N 1 0 357.498 2.031 20 30 FEEDRO C[NH+](C)[C@@H](CNC(=O)COc1ccc(C#N)c(Br)c1)C1CC1 ZINC000449792599 560240214 /nfs/dbraw/zinc/24/02/14/560240214.db2.gz AARVQHGNOHSFHU-HNNXBMFYSA-N 1 0 366.259 2.156 20 30 FEEDRO C[C@@H](CNC(=O)COc1cccc(Br)c1C#N)[N@H+](C)C1CC1 ZINC000449834194 560241907 /nfs/dbraw/zinc/24/19/07/560241907.db2.gz JHJBGWCOZDVJPK-NSHDSACASA-N 1 0 366.259 2.298 20 30 FEEDRO C[C@H]1C[C@@H](NC(=O)COc2cccc(Br)c2C#N)CC[N@@H+]1C ZINC000449938646 560245800 /nfs/dbraw/zinc/24/58/00/560245800.db2.gz GLZJPYAZUYYHLT-RYUDHWBXSA-N 1 0 366.259 2.298 20 30 FEEDRO CS[C@H]1CN(C(=O)c2cccc(C#N)c2Br)C[C@@H]1[NH+](C)C ZINC000450265961 560256334 /nfs/dbraw/zinc/25/63/34/560256334.db2.gz MMMHQYKBIALQJD-STQMWFEESA-N 1 0 368.300 2.438 20 30 FEEDRO C[C@@H]1[C@H](C)N(C(=O)COc2cccc(Br)c2C#N)CC[N@H+]1C ZINC000450373621 560260425 /nfs/dbraw/zinc/26/04/25/560260425.db2.gz CZEBEQYYLVAJSI-NEPJUHHUSA-N 1 0 366.259 2.251 20 30 FEEDRO CN1CC[NH+](CC2(C)CCN(c3cccc(C#N)c3[N+](=O)[O-])CC2)CC1 ZINC000450443251 560262288 /nfs/dbraw/zinc/26/22/88/560262288.db2.gz UZFHUNIRGXFKDE-UHFFFAOYSA-N 1 0 357.458 2.320 20 30 FEEDRO CN(CC[N@H+](C)C1CC1)C(=O)COc1cccc(Br)c1C#N ZINC000450702166 560270858 /nfs/dbraw/zinc/27/08/58/560270858.db2.gz PZUOZDXBXRTPJX-UHFFFAOYSA-N 1 0 366.259 2.252 20 30 FEEDRO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CC[C@H](Oc2cccnc2N(C)C)C1 ZINC000451026986 560283083 /nfs/dbraw/zinc/28/30/83/560283083.db2.gz MCDGWSMRSFJSOE-IRXDYDNUSA-N 1 0 360.502 2.414 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)S(=O)(=O)CC1(CC#N)CC1 ZINC000451124689 560288353 /nfs/dbraw/zinc/28/83/53/560288353.db2.gz GKDLUWIUQUAHPQ-UHFFFAOYSA-N 1 0 371.453 2.352 20 30 FEEDRO C[NH+](C)CCN(Cc1cccc(F)c1)S(=O)(=O)CC1(CC#N)CC1 ZINC000451130856 560288798 /nfs/dbraw/zinc/28/87/98/560288798.db2.gz ORNBSXHSVCTAMQ-UHFFFAOYSA-N 1 0 353.463 2.213 20 30 FEEDRO COC1CC[NH+](C2(CNS(=O)(=O)CC3(CC#N)CC3)CCCC2)CC1 ZINC000451175014 560291439 /nfs/dbraw/zinc/29/14/39/560291439.db2.gz GVHYPVJMIBAENW-UHFFFAOYSA-N 1 0 369.531 2.023 20 30 FEEDRO CCO[C@H](CC[NH+](C)C)CNS(=O)(=O)c1ccc(CC#N)cc1Cl ZINC000451301547 560299099 /nfs/dbraw/zinc/29/90/99/560299099.db2.gz XMGBOPODNDZHEC-CQSZACIVSA-N 1 0 373.906 2.041 20 30 FEEDRO CO[C@@H]1C[C@H]([NH2+]CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1(C)C ZINC000451512406 560311188 /nfs/dbraw/zinc/31/11/88/560311188.db2.gz XLJQSONYMDTKTB-JKSUJKDBSA-N 1 0 353.426 2.086 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]CC(=O)Nc1ccc(C(=O)N(CC)CC)cc1 ZINC000451673889 560321232 /nfs/dbraw/zinc/32/12/32/560321232.db2.gz MEUANZJDISJGIK-MSOLQXFVSA-N 1 0 359.470 2.430 20 30 FEEDRO C[C@H]1CN(CC(=O)N[C@@](C)(C#N)C2CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000451706071 560323407 /nfs/dbraw/zinc/32/34/07/560323407.db2.gz JRKFHOLUSKXZNO-UTKZUKDTSA-N 1 0 354.498 2.249 20 30 FEEDRO C[C@@H](C#N)CN(C)S(=O)(=O)N1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000452009135 560345174 /nfs/dbraw/zinc/34/51/74/560345174.db2.gz CBSNUMOTIIUIAW-HNNXBMFYSA-N 1 0 358.552 2.155 20 30 FEEDRO O=C(C[N@H+]1CC[C@@H](CCCO)C1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000452122526 560352717 /nfs/dbraw/zinc/35/27/17/560352717.db2.gz HLUFQFCIMIDASN-MRXNPFEDSA-N 1 0 368.399 2.268 20 30 FEEDRO CC(=O)Nc1ccc(C[NH+]2CCC(NC(=O)c3c[nH]c(C#N)c3)CC2)cc1 ZINC000453012665 560381072 /nfs/dbraw/zinc/38/10/72/560381072.db2.gz JWSKPGIBONFWFV-UHFFFAOYSA-N 1 0 365.437 2.239 20 30 FEEDRO C=CCn1c([C@@H]2CC[C@H](C)O2)nnc1N1CC[N@@H+](CCOCC)[C@H](C)C1 ZINC000453417323 560386297 /nfs/dbraw/zinc/38/62/97/560386297.db2.gz ZXTPXDRXPKAPFZ-IKGGRYGDSA-N 1 0 363.506 2.251 20 30 FEEDRO C=CCn1c(Cn2nc(C)cc2C)nnc1N(C)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000453450962 560386967 /nfs/dbraw/zinc/38/69/67/560386967.db2.gz RLBCVKYBINTKCC-QGZVFWFLSA-N 1 0 357.506 2.245 20 30 FEEDRO Cc1cc(C#N)cc(NC(=O)C(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC000453587692 560389818 /nfs/dbraw/zinc/38/98/18/560389818.db2.gz BUUALQYITFMWLW-HZPDHXFCSA-N 1 0 356.470 2.289 20 30 FEEDRO CC(C)[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(CC#N)cc1Cl ZINC000453590119 560390066 /nfs/dbraw/zinc/39/00/66/560390066.db2.gz GNOMOIOFHURINF-UHFFFAOYSA-N 1 0 350.850 2.191 20 30 FEEDRO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1cccc(CC#N)c1 ZINC000453676595 560395790 /nfs/dbraw/zinc/39/57/90/560395790.db2.gz UKTJWIGYJQTOAM-SFHVURJKSA-N 1 0 356.470 2.318 20 30 FEEDRO N#CCc1cccc(NC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000453675741 560395806 /nfs/dbraw/zinc/39/58/06/560395806.db2.gz SEIKUMWNQOKZEL-VQIMIIECSA-N 1 0 366.465 2.166 20 30 FEEDRO Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)Nc2cc(C)cc(C#N)c2)o1 ZINC000453703611 560398023 /nfs/dbraw/zinc/39/80/23/560398023.db2.gz AZVHYTQUMLTDJU-UHFFFAOYSA-N 1 0 368.437 2.297 20 30 FEEDRO Cc1nc(NC(=O)C(=O)N(CC[NH+](C)C)CC2CCCCC2)ccc1C#N ZINC000453710659 560398755 /nfs/dbraw/zinc/39/87/55/560398755.db2.gz PNVCBMMQFCYHGI-UHFFFAOYSA-N 1 0 371.485 2.171 20 30 FEEDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)Nc1ccc(CC#N)cc1Cl ZINC000453713515 560398978 /nfs/dbraw/zinc/39/89/78/560398978.db2.gz INVAYAPUVQZKEK-BLLLJJGKSA-N 1 0 362.861 2.143 20 30 FEEDRO C=CC(C)(C)CNC(=O)C(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1C ZINC000453883352 560410501 /nfs/dbraw/zinc/41/05/01/560410501.db2.gz UNQSMXXHRMHBDW-UHFFFAOYSA-N 1 0 372.513 2.404 20 30 FEEDRO Cc1cc(C)c(CNC(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)cn1 ZINC000454024012 560422761 /nfs/dbraw/zinc/42/27/61/560422761.db2.gz GOOJUXXGCYUOFD-UHFFFAOYSA-N 1 0 353.426 2.382 20 30 FEEDRO C=CCCCCNC(=O)N1CCC[C@H](C[N@H+]2CCCN(C(C)=O)CC2)C1 ZINC000454825020 560459532 /nfs/dbraw/zinc/45/95/32/560459532.db2.gz YDBRIQLBORXTFW-LJQANCHMSA-N 1 0 364.534 2.319 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1NC(=O)N[C@@H](CC[N@@H+](C)CCOC)c1ccccc1 ZINC000455393649 560480649 /nfs/dbraw/zinc/48/06/49/560480649.db2.gz CNGAWUUWZCFCRJ-OTWHNJEPSA-N 1 0 361.486 2.339 20 30 FEEDRO C=CCN1CC[C@@H](N(C)C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)C1=O ZINC000455835247 560496941 /nfs/dbraw/zinc/49/69/41/560496941.db2.gz AAHUDBFSGABQNP-QZTJIDSGSA-N 1 0 356.470 2.486 20 30 FEEDRO Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N(C)[C@H]3CC[N@@H+](C(C)C)C3)C2)n1 ZINC000457142186 560552627 /nfs/dbraw/zinc/55/26/27/560552627.db2.gz ZVUBFVAGNWEAEQ-MOPGFXCFSA-N 1 0 369.513 2.419 20 30 FEEDRO Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N(C)[C@H]3CC[N@@H+](C(C)C)C3)C2)n1 ZINC000457142188 560552807 /nfs/dbraw/zinc/55/28/07/560552807.db2.gz ZVUBFVAGNWEAEQ-OALUTQOASA-N 1 0 369.513 2.419 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000457644593 560579576 /nfs/dbraw/zinc/57/95/76/560579576.db2.gz HBVSAZHDQQHCSH-QYZOEREBSA-N 1 0 350.503 2.461 20 30 FEEDRO C[NH+](C)Cc1ccc(N2CCN(C(=O)N[C@H]3CC[C@@H](CC#N)C3)CC2)nc1 ZINC000459004534 560661243 /nfs/dbraw/zinc/66/12/43/560661243.db2.gz GUSMUHCDBQPONR-WMZOPIPTSA-N 1 0 370.501 2.057 20 30 FEEDRO CC(C)O[C@H]1C[C@@H](NC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)C1 ZINC000459200598 560673715 /nfs/dbraw/zinc/67/37/15/560673715.db2.gz VCLVYIXYLNCMQK-KDURUIRLSA-N 1 0 356.470 2.341 20 30 FEEDRO C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)c1ccn(C)n1 ZINC000459318978 560679441 /nfs/dbraw/zinc/67/94/41/560679441.db2.gz ZZSYBFJCBBPGMW-OAHLLOKOSA-N 1 0 354.458 2.126 20 30 FEEDRO CC(C)N1CC[NH+](C2CCN(Cc3c(C#N)cccc3[N+](=O)[O-])CC2)CC1 ZINC000459400102 560684409 /nfs/dbraw/zinc/68/44/09/560684409.db2.gz ZJKNYVZMWSAVFG-UHFFFAOYSA-N 1 0 371.485 2.457 20 30 FEEDRO N#CCCN(C(=O)C[NH2+]C1(CO)CCSCC1)c1cccc(Cl)c1 ZINC000459709018 560703724 /nfs/dbraw/zinc/70/37/24/560703724.db2.gz KDZXWPFZYFPNKZ-UHFFFAOYSA-N 1 0 367.902 2.434 20 30 FEEDRO C=CCN(Cc1ccccc1)C(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000459993104 560727182 /nfs/dbraw/zinc/72/71/82/560727182.db2.gz UFXQPGQAXNSUKB-IBGZPJMESA-N 1 0 355.482 2.288 20 30 FEEDRO C=CCN(CCc1ccccc1)C(=O)C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000460064590 560732631 /nfs/dbraw/zinc/73/26/31/560732631.db2.gz NJNROUMAQDUZTE-UHFFFAOYSA-N 1 0 369.509 2.331 20 30 FEEDRO Cc1nsc(N2CCN(C(=O)[C@H](C)[N@H+]3[C@H](C)CC[C@@H]3C)CC2)c1C#N ZINC000461202322 560763875 /nfs/dbraw/zinc/76/38/75/560763875.db2.gz ZMJSMXDPLCJHAQ-GUTXKFCHSA-N 1 0 361.515 2.233 20 30 FEEDRO N#C[C@@H]1CCC[C@@H]1NC(=O)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000461778040 560783056 /nfs/dbraw/zinc/78/30/56/560783056.db2.gz WHVMQAWSZUNTIY-WMZOPIPTSA-N 1 0 354.454 2.072 20 30 FEEDRO COc1cc(CNC(=O)N[C@H]2CCO[C@@H](c3cncn3C)C2)ccc1C#N ZINC000462473141 560811445 /nfs/dbraw/zinc/81/14/45/560811445.db2.gz NHFCBVLHBLHAFZ-MAUKXSAKSA-N 1 0 369.425 2.020 20 30 FEEDRO C[N@H+](CCc1cccc(Br)c1)CC(=O)NC1(C#N)CCC1 ZINC000463418466 560813467 /nfs/dbraw/zinc/81/34/67/560813467.db2.gz SLWDDRMMSACNCE-UHFFFAOYSA-N 1 0 350.260 2.486 20 30 FEEDRO COc1cc(C#N)ccc1S(=O)(=O)N(C)CC[N@H+](C)C1CCCCC1 ZINC000463699555 560821765 /nfs/dbraw/zinc/82/17/65/560821765.db2.gz RDSSXXZRTGXNAS-UHFFFAOYSA-N 1 0 365.499 2.452 20 30 FEEDRO C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](C(=O)N(CCC)CC(F)(F)F)C1 ZINC000464742255 560849745 /nfs/dbraw/zinc/84/97/45/560849745.db2.gz SHPPYHHUGDKNSL-KGLIPLIRSA-N 1 0 363.424 2.190 20 30 FEEDRO Cc1c(C#N)cccc1NC(=O)C(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000467166757 560905458 /nfs/dbraw/zinc/90/54/58/560905458.db2.gz WREOMXRIBBOOOG-UHFFFAOYSA-N 1 0 364.449 2.226 20 30 FEEDRO C=CCC[N@@H+](C)CC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000467297896 560908047 /nfs/dbraw/zinc/90/80/47/560908047.db2.gz AAGGYKDMCPFNFB-UHFFFAOYSA-N 1 0 365.499 2.308 20 30 FEEDRO COc1ccc(C2(C[NH2+][C@@H](C)C(=O)NC3(C#N)CCC3)CCOCC2)cc1 ZINC000468813445 560939386 /nfs/dbraw/zinc/93/93/86/560939386.db2.gz CBXISSSOCJLOHF-INIZCTEOSA-N 1 0 371.481 2.284 20 30 FEEDRO C[N@@H+]1CCCN(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)CC1 ZINC000470543439 560984186 /nfs/dbraw/zinc/98/41/86/560984186.db2.gz MWXMWUVAHGLEPI-UHFFFAOYSA-N 1 0 369.469 2.439 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CC[C@](C)(C(=O)OC)C1)C(C)C ZINC000470900297 560993265 /nfs/dbraw/zinc/99/32/65/560993265.db2.gz OTQZABMHPMQCNG-LPHOPBHVSA-N 1 0 351.491 2.280 20 30 FEEDRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)[C@H](C#N)Cc2ccc(C#N)cc2)C1 ZINC000470971642 560995552 /nfs/dbraw/zinc/99/55/52/560995552.db2.gz XVHMYLVVQCXGMW-VQTJNVASSA-N 1 0 368.481 2.200 20 30 FEEDRO N#C[C@@H](c1cccc(Cl)c1)N1CC[NH+](CCCN2CCOCC2)CC1 ZINC000471005672 560996240 /nfs/dbraw/zinc/99/62/40/560996240.db2.gz HRQJONLHRAFGKE-IBGZPJMESA-N 1 0 362.905 2.245 20 30 FEEDRO CC[N@H+](CCNC(=O)[C@H]1CCCN(c2nc(C)ccc2C#N)C1)C(C)C ZINC000471968555 561015195 /nfs/dbraw/zinc/01/51/95/561015195.db2.gz OZNAARAXWRQRQB-SFHVURJKSA-N 1 0 357.502 2.325 20 30 FEEDRO Cc1nn(C)c(N2CC[NH+](CCCOCCc3ccccc3)CC2)c1C#N ZINC000472149944 561019522 /nfs/dbraw/zinc/01/95/22/561019522.db2.gz DJEUWYIUSOIUNL-UHFFFAOYSA-N 1 0 367.497 2.372 20 30 FEEDRO N#Cc1cccc(NC(=O)C2CC[NH+](CCn3cc([N+](=O)[O-])cn3)CC2)c1 ZINC000472439211 561026515 /nfs/dbraw/zinc/02/65/15/561026515.db2.gz LHXSMOCBYJIEAS-UHFFFAOYSA-N 1 0 368.397 2.014 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N2C[C@@H](CC)N(C(C)=O)C[C@H]2CC)CC1 ZINC000472999302 561040035 /nfs/dbraw/zinc/04/00/35/561040035.db2.gz ITUDENSZYFVRAQ-QZTJIDSGSA-N 1 0 350.507 2.068 20 30 FEEDRO C=CCCC1(C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000475660873 561101700 /nfs/dbraw/zinc/10/17/00/561101700.db2.gz LEAPEMHZYPLDHR-UHFFFAOYSA-N 1 0 357.502 2.241 20 30 FEEDRO Cc1cc(NC(=O)c2cnn(C)c2C#N)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000477023485 561134358 /nfs/dbraw/zinc/13/43/58/561134358.db2.gz HALRNBDRDLBVAH-UHFFFAOYSA-N 1 0 366.469 2.383 20 30 FEEDRO COCCNC(=O)[C@H]1CC[C@H](C)[N@H+](CCCOc2cccc(C#N)c2)C1 ZINC000477139693 561137709 /nfs/dbraw/zinc/13/77/09/561137709.db2.gz QHUKYDIADKLOJM-WMZOPIPTSA-N 1 0 359.470 2.190 20 30 FEEDRO Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000528289458 562321021 /nfs/dbraw/zinc/32/10/21/562321021.db2.gz RCHMIASCEGLWET-UHFFFAOYSA-N 1 0 366.469 2.045 20 30 FEEDRO Cc1nccc([C@@H]2CCC[N@H+](C[C@H](O)COc3ccccc3C#N)C2)n1 ZINC000528357136 562324651 /nfs/dbraw/zinc/32/46/51/562324651.db2.gz UDBYOQMGZBNBHL-MSOLQXFVSA-N 1 0 352.438 2.276 20 30 FEEDRO N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H](OCC(F)(F)F)C1 ZINC000528386814 562326316 /nfs/dbraw/zinc/32/63/16/562326316.db2.gz JSUZIJVAJGMGMI-CABCVRRESA-N 1 0 358.360 2.341 20 30 FEEDRO N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000528427472 562328831 /nfs/dbraw/zinc/32/88/31/562328831.db2.gz ZEUNUTBHPKYYHF-SJLPKXTDSA-N 1 0 367.453 2.104 20 30 FEEDRO N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H](Oc2ncccc2F)C1 ZINC000528480957 562331479 /nfs/dbraw/zinc/33/14/79/562331479.db2.gz NBFOMHMTORLUHD-IAGOWNOFSA-N 1 0 371.412 2.375 20 30 FEEDRO CC1(C)[C@H]([NH2+]CC#CCN2C(=O)c3ccccc3C2=O)[C@H]2CCCO[C@@H]21 ZINC000528518953 562333683 /nfs/dbraw/zinc/33/36/83/562333683.db2.gz KVSWGDSDUREWSR-KURKYZTESA-N 1 0 352.434 2.079 20 30 FEEDRO C[C@@H]1CN(CC(F)(F)F)CC[N@H+](C[C@@H](O)COc2ccccc2C#N)C1 ZINC000528523028 562333724 /nfs/dbraw/zinc/33/37/24/562333724.db2.gz XJWQRWHMFJMCRH-GOEBONIOSA-N 1 0 371.403 2.114 20 30 FEEDRO COc1ccc([C@H]([NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)C2CC2)cn1 ZINC000528846776 562350198 /nfs/dbraw/zinc/35/01/98/562350198.db2.gz KMZOOSVFVVTVFD-LJQANCHMSA-N 1 0 371.462 2.476 20 30 FEEDRO C[NH+](C)Cc1ccc(C(=O)NC2(c3ccc(C#N)cc3)CCOCC2)cn1 ZINC000530061670 562396474 /nfs/dbraw/zinc/39/64/74/562396474.db2.gz XUSPRYCQVJKBPL-UHFFFAOYSA-N 1 0 364.449 2.451 20 30 FEEDRO N#CCCn1cc(C[NH2+]Cc2ccc(C(N)=O)nc2)c(-c2ccccc2)n1 ZINC000530771798 562423518 /nfs/dbraw/zinc/42/35/18/562423518.db2.gz OKFUGOBHUMIUBB-UHFFFAOYSA-N 1 0 360.421 2.247 20 30 FEEDRO Cn1ncc2cc(C(=O)N(CC[NH+](C)C)Cc3ccc(C#N)cc3)cnc21 ZINC000530854934 562426367 /nfs/dbraw/zinc/42/63/67/562426367.db2.gz CJBGLPYGVGXCQD-UHFFFAOYSA-N 1 0 362.437 2.044 20 30 FEEDRO C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)Cc1cccc(C#N)c1 ZINC000531152514 562436469 /nfs/dbraw/zinc/43/64/69/562436469.db2.gz HUTLAJOQFQGZIY-SFHVURJKSA-N 1 0 362.477 2.428 20 30 FEEDRO CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+](Cc2ccc(C#N)cc2)CC(C)C)C1 ZINC000531645360 562452700 /nfs/dbraw/zinc/45/27/00/562452700.db2.gz AUKZLHQWOCPDBT-HXUWFJFHSA-N 1 0 370.497 2.143 20 30 FEEDRO CC1CC(C#N)(C(=O)Nc2ccc(OCCN3CC[NH+](C)CC3)cc2)C1 ZINC000531807879 562457402 /nfs/dbraw/zinc/45/74/02/562457402.db2.gz WZNMKPLQODYAHW-UHFFFAOYSA-N 1 0 356.470 2.191 20 30 FEEDRO CC(C)(C)[N@@H+]1CCCN(C(=O)C(=O)Nc2ccc(C#N)cc2Cl)CC1 ZINC000532274859 562472345 /nfs/dbraw/zinc/47/23/45/562472345.db2.gz DKIKIRBFGRAMON-UHFFFAOYSA-N 1 0 362.861 2.483 20 30 FEEDRO CC(=O)N1CCC(NC(=O)C[N@H+](Cc2ccc(C#N)cc2)CC(C)C)CC1 ZINC000533254760 562502914 /nfs/dbraw/zinc/50/29/14/562502914.db2.gz JVXAOHNRCOOVMH-UHFFFAOYSA-N 1 0 370.497 2.143 20 30 FEEDRO C[N@H+](CC1CC1)C[C@@H]1CCN(S(=O)(=O)c2ccc(F)cc2C#N)C1 ZINC000533553191 562512950 /nfs/dbraw/zinc/51/29/50/562512950.db2.gz OIAOTCAPBIAFSL-AWEZNQCLSA-N 1 0 351.447 2.050 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2c(F)ccc(OCC)c2F)CC1 ZINC000534616914 562538315 /nfs/dbraw/zinc/53/83/15/562538315.db2.gz QHOLEFPFDRKUMG-UHFFFAOYSA-N 1 0 367.396 2.069 20 30 FEEDRO CC[N@H+](CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)C1CCC1 ZINC000537255806 562588921 /nfs/dbraw/zinc/58/89/21/562588921.db2.gz VYSIXRACKOXWRM-IBGZPJMESA-N 1 0 358.461 2.409 20 30 FEEDRO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000540962537 562598608 /nfs/dbraw/zinc/59/86/08/562598608.db2.gz FBRPDYTVRIMQON-IIDMSEBBSA-N 1 0 354.454 2.043 20 30 FEEDRO C[C@H](C(=O)N1CCN(c2ccc(F)cc2)CC1)[NH+]1CCC(CC#N)CC1 ZINC000541024383 562600720 /nfs/dbraw/zinc/60/07/20/562600720.db2.gz XFYJKAKXMGQPOK-MRXNPFEDSA-N 1 0 358.461 2.488 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1CCS[C@@H](C)CC1)C(C)C ZINC000556209899 674392202 /nfs/dbraw/zinc/39/22/02/674392202.db2.gz ZOFVLSKYPXLDIT-DLBZAZTESA-N 1 0 367.559 2.155 20 30 FEEDRO C=CCCC(C)(C)CNC(=O)C(=O)NCC(C)(C)[NH+]1CCC(OC)CC1 ZINC000636697903 567841048 /nfs/dbraw/zinc/84/10/48/567841048.db2.gz MWQARQPFBOMEOG-UHFFFAOYSA-N 1 0 367.534 2.101 20 30 FEEDRO N#CC1(C[C@H](O)C[NH2+]C[C@@H](CO)c2ccc(Cl)cc2)CCOCC1 ZINC000601970528 567890502 /nfs/dbraw/zinc/89/05/02/567890502.db2.gz LLGCUWLEEPLUSZ-RDJZCZTQSA-N 1 0 352.862 2.077 20 30 FEEDRO Cc1ccc(NC(=O)C(=O)N(C)[C@H]2CCC[C@H]2C#N)c(OCC[NH+](C)C)c1 ZINC000602072565 567916313 /nfs/dbraw/zinc/91/63/13/567916313.db2.gz DECBKXUKNOADON-RDJZCZTQSA-N 1 0 372.469 2.025 20 30 FEEDRO N#C[C@H]1CN(C(=O)[C@H]2CC[N@@H+]2C2CCCC2)CCN1Cc1ccccc1 ZINC000602099260 567926628 /nfs/dbraw/zinc/92/66/28/567926628.db2.gz ZAGPJKRHQHAKFV-VQTJNVASSA-N 1 0 352.482 2.240 20 30 FEEDRO C=CCCCN(C)C(=O)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000671801569 567971138 /nfs/dbraw/zinc/97/11/38/567971138.db2.gz APCJYSWEOJZKPM-UHFFFAOYSA-N 1 0 357.498 2.439 20 30 FEEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000602548086 567990368 /nfs/dbraw/zinc/99/03/68/567990368.db2.gz LSRIVSTWRMQJFJ-HZPDHXFCSA-N 1 0 356.470 2.053 20 30 FEEDRO CN(C[C@H](O)COc1cc(Cl)cc(Cl)c1)C(=O)[C@@H]([NH3+])CCCC#N ZINC000602580643 567993630 /nfs/dbraw/zinc/99/36/30/567993630.db2.gz XZUICPGZSNAMBJ-ZFWWWQNUSA-N 1 0 374.268 2.213 20 30 FEEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]CCN(C)S(=O)(=O)c1cccs1 ZINC000602574622 567996457 /nfs/dbraw/zinc/99/64/57/567996457.db2.gz KQEQJFRXPPHTAW-CQSZACIVSA-N 1 0 371.528 2.057 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H]2c3ccccc3C(=O)N2C)CC1 ZINC000636743109 568000861 /nfs/dbraw/zinc/00/08/61/568000861.db2.gz VQJCPSQAGYFJTI-GOSISDBHSA-N 1 0 356.470 2.153 20 30 FEEDRO C=CCCn1cc(CN2CC[C@@](COC)(C(=O)OC(C)(C)C)C2)nn1 ZINC000602736772 568026221 /nfs/dbraw/zinc/02/62/21/568026221.db2.gz QCGDLTIOCUESGF-GOSISDBHSA-N 1 0 350.463 2.034 20 30 FEEDRO CN(CC(=O)NCC1(c2ccccc2)CCOCC1)[C@H]1CCC[C@@H]1C#N ZINC000602975425 568035834 /nfs/dbraw/zinc/03/58/34/568035834.db2.gz ASVPGJIRQZHVMQ-MJGOQNOKSA-N 1 0 355.482 2.475 20 30 FEEDRO CC(C)(C#N)c1ccc(C[NH2+][C@H]2CCCN(CCN3CCOCC3)C2)cc1 ZINC000603429568 568096843 /nfs/dbraw/zinc/09/68/43/568096843.db2.gz YEDWVJLABUROPY-NRFANRHFSA-N 1 0 370.541 2.374 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2CCN(c3cc[nH+]cc3)CC2)cc1Cl ZINC000603660719 568134634 /nfs/dbraw/zinc/13/46/34/568134634.db2.gz NPWWUEAVTLHOOI-UHFFFAOYSA-N 1 0 362.842 2.118 20 30 FEEDRO C[C@@H](NC(=O)NC1CCC(Oc2ncccc2C#N)CC1)[C@H]1CCC[NH2+]C1 ZINC000568731402 568144446 /nfs/dbraw/zinc/14/44/46/568144446.db2.gz PZADBHFQYFWVLS-SEEUUAMPSA-N 1 0 371.485 2.331 20 30 FEEDRO Cc1nccc([C@H]2CCC[N@H+](C[C@@H](O)COc3ccc(CC#N)cc3)C2)n1 ZINC000603834463 568158757 /nfs/dbraw/zinc/15/87/57/568158757.db2.gz VARWMHPXYCRZHT-RBUKOAKNSA-N 1 0 366.465 2.470 20 30 FEEDRO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH+]1C[C@H]2CN(c3ccccc3)C[C@@H]2C1 ZINC000603864365 568161466 /nfs/dbraw/zinc/16/14/66/568161466.db2.gz BKTSHOCYXRZYHN-OEMYIYORSA-N 1 0 354.498 2.498 20 30 FEEDRO N#CC1(NC(=O)C[N@H+]2C[C@H]3CN(c4ccccc4)C[C@H]3C2)CCCCC1 ZINC000603864509 568161566 /nfs/dbraw/zinc/16/15/66/568161566.db2.gz HMKMYTCOWLEWJW-HDICACEKSA-N 1 0 352.482 2.397 20 30 FEEDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3cccc(CC#N)c3)cn2)CC1 ZINC000604094087 568212066 /nfs/dbraw/zinc/21/20/66/568212066.db2.gz RIGOTPLCBUBQCN-UHFFFAOYSA-N 1 0 363.465 2.220 20 30 FEEDRO Cc1cc(NC(=O)C(=O)NC[C@H](C(C)C)[NH+]2CCC(C)CC2)ncc1C#N ZINC000569017146 568271510 /nfs/dbraw/zinc/27/15/10/568271510.db2.gz KXAGTHTVUWTZIV-QGZVFWFLSA-N 1 0 371.485 2.073 20 30 FEEDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCN([C@@H](C#N)C(C)C)CC1 ZINC000609487119 568346634 /nfs/dbraw/zinc/34/66/34/568346634.db2.gz WXEUQQCMMAXDQH-SFHVURJKSA-N 1 0 373.457 2.398 20 30 FEEDRO N#Cc1cnn2cc(CNc3cccc(C[NH+]4CCC(O)CC4)c3)cnc12 ZINC000569847322 568428137 /nfs/dbraw/zinc/42/81/37/568428137.db2.gz MTOWQTOEMWJXDS-UHFFFAOYSA-N 1 0 362.437 2.170 20 30 FEEDRO C=C1CC[NH+](CCC(=O)Nc2sc3c(c2-c2nn[nH]n2)CCC3)CC1 ZINC000735403132 598504742 /nfs/dbraw/zinc/50/47/42/598504742.db2.gz PXCOGFGVDKQDMM-UHFFFAOYSA-N 1 0 358.471 2.398 20 30 FEEDRO CC[N@H+](CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2)C[C@H](C)C#N ZINC000736533585 598760335 /nfs/dbraw/zinc/76/03/35/598760335.db2.gz ACYMMJAJAQDRJQ-LLVKDONJSA-N 1 0 373.486 2.227 20 30 FEEDRO N#Cc1cccc(N2CC[NH+](C[C@@H](O)Cc3cccc(Cl)c3)CC2)n1 ZINC000558124006 674483962 /nfs/dbraw/zinc/48/39/62/674483962.db2.gz DCUAFOJUKHGTHR-SFHVURJKSA-N 1 0 356.857 2.332 20 30 FEEDRO COc1ccc(C[NH2+]Cc2ccc(OC)c(-c3nn[nH]n3)c2)cc1C#N ZINC000826202995 607568284 /nfs/dbraw/zinc/56/82/84/607568284.db2.gz VTXVFROWBBJGND-UHFFFAOYSA-N 1 0 350.382 2.045 20 30 FEEDRO N#CC1(NC(=O)CN[C@@H]2CCOc3c(Br)cccc32)CCC1 ZINC000558613116 674506676 /nfs/dbraw/zinc/50/66/76/674506676.db2.gz PDRUXLYPBGPDDE-CYBMUJFWSA-N 1 0 364.243 2.425 20 30 FEEDRO CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000558781790 674515812 /nfs/dbraw/zinc/51/58/12/674515812.db2.gz AWEGDTGBCJDNPN-XJKSGUPXSA-N 1 0 372.922 2.259 20 30 FEEDRO N#CC1(CCC[N@H+]2CCC[C@H](CNC(=O)C(F)(F)F)C2)CCOCC1 ZINC000810065797 674528497 /nfs/dbraw/zinc/52/84/97/674528497.db2.gz DDGHZMFYXJBUCY-CQSZACIVSA-N 1 0 361.408 2.477 20 30 FEEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]CC1CCN(S(=O)(=O)C(F)F)CC1)CC2 ZINC000810225804 674537569 /nfs/dbraw/zinc/53/75/69/674537569.db2.gz NAGOAFRHTPLZRK-INIZCTEOSA-N 1 0 369.437 2.400 20 30 FEEDRO C=CC[N@@H+](CCNC(=O)OC(C)(C)C)Cc1cccc(-c2nn[nH]n2)c1 ZINC000819743921 606577379 /nfs/dbraw/zinc/57/73/79/606577379.db2.gz SVGUKCBRNIQMHT-UHFFFAOYSA-N 1 0 358.446 2.379 20 30 FEEDRO FC(F)(F)CON=C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000822718900 606995847 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C#CCNC(=O)CC[NH2+][C@@H]1CCN(CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000815112517 674920849 /nfs/dbraw/zinc/92/08/49/674920849.db2.gz TYGGLKBODGDNMV-AEFFLSMTSA-N 1 0 351.853 2.344 20 30 FEEDRO C[C@@H]1CCC[N@@H+]1CCNC(=O)C(=O)Nc1scc(C(C)(C)C)c1C#N ZINC000815530183 674957513 /nfs/dbraw/zinc/95/75/13/674957513.db2.gz BATDMCVPIMCNOD-GFCCVEGCSA-N 1 0 362.499 2.456 20 30 FEEDRO Cc1nsc(NC[C@@H]2C[C@H](C)CCN2C(=O)[C@@H]2CC[N@H+](C)C2)c1C#N ZINC001048176750 675006454 /nfs/dbraw/zinc/00/64/54/675006454.db2.gz PMDFRQLCCUOTME-YUELXQCFSA-N 1 0 361.515 2.314 20 30 FEEDRO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)CCN1c1snc(Cl)c1C#N ZINC001048586809 675011357 /nfs/dbraw/zinc/01/13/57/675011357.db2.gz CMAIEPJKAMLULH-XQQFMLRXSA-N 1 0 367.906 2.236 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+]CCOc2ncccc2Cl)cc1 ZINC000564650506 675048050 /nfs/dbraw/zinc/04/80/50/675048050.db2.gz BERIHAMYAQVWOO-UHFFFAOYSA-N 1 0 365.842 2.049 20 30 FEEDRO CC(C)[C@@H]1OCCC[C@H]1C[NH2+]CCS(=O)(=O)c1cccc(C#N)c1 ZINC000564722882 675055200 /nfs/dbraw/zinc/05/52/00/675055200.db2.gz WNNVPRIQDLIGJO-WMZOPIPTSA-N 1 0 350.484 2.373 20 30 FEEDRO CC[C@H](CC#N)[NH2+]C[C@@H]1CCCN(C(=O)CNC(=O)OC(C)(C)C)C1 ZINC000816570590 675065812 /nfs/dbraw/zinc/06/58/12/675065812.db2.gz ZLVWIJSFSZAKER-LSDHHAIUSA-N 1 0 352.479 2.032 20 30 FEEDRO CN(CCC#N)C[C@H](O)C[NH2+][C@H]1CCc2c1ccc(F)c2Br ZINC000564859647 675069460 /nfs/dbraw/zinc/06/94/60/675069460.db2.gz WVVILDVYQXEQEH-ABAIWWIYSA-N 1 0 370.266 2.371 20 30 FEEDRO C#CC[C@@]1(C(=O)NC[C@H](C)C[NH+](C)C)CCCN1C(=O)OC(C)(C)C ZINC000816721447 675075187 /nfs/dbraw/zinc/07/51/87/675075187.db2.gz ZVSOUQRVKWPELN-KXBFYZLASA-N 1 0 351.491 2.093 20 30 FEEDRO CS(=O)(=O)NCC[C@H]1CCCC[N@@H+]1CCCOc1ccc(C#N)cc1 ZINC000052134630 670309204 /nfs/dbraw/zinc/30/92/04/670309204.db2.gz HFEXPMVHJYYYPM-QGZVFWFLSA-N 1 0 365.499 2.121 20 30 FEEDRO C[NH+]=C(NCCS(=O)(=O)c1ccc(Cl)cc1)N1CCC(C)CC1 ZINC000073451278 670502871 /nfs/dbraw/zinc/50/28/71/670502871.db2.gz FQRBZJAISMKCMA-UHFFFAOYSA-N 1 0 357.907 2.421 20 30 FEEDRO N#CC1(CS(=O)(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)CCC1 ZINC000570391616 670706733 /nfs/dbraw/zinc/70/67/33/670706733.db2.gz CSCMNKHDQWLQGY-ZWKOTPCHSA-N 1 0 359.495 2.216 20 30 FEEDRO C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H](C)C[N@@H+](CC)CCC)c1 ZINC000570731248 670760690 /nfs/dbraw/zinc/76/06/90/670760690.db2.gz KAMFYXYOFDYTJM-HNNXBMFYSA-N 1 0 367.515 2.001 20 30 FEEDRO C[C@@H](C[NH2+]C[C@H](O)CN(C)CCC#N)Oc1ccc(Br)cc1 ZINC000571908784 670939420 /nfs/dbraw/zinc/93/94/20/670939420.db2.gz DLYSJAGXWOUFGU-ZFWWWQNUSA-N 1 0 370.291 2.012 20 30 FEEDRO N#Cc1csc(CNc2ccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)cc2)n1 ZINC000573610444 671143319 /nfs/dbraw/zinc/14/33/19/671143319.db2.gz NJVKHKVUAWBRDG-CQSZACIVSA-N 1 0 355.467 2.324 20 30 FEEDRO C[C@H]([NH2+]C[C@@H](O)CN(C)CCC#N)c1ccc(Br)cc1F ZINC000574312051 671225078 /nfs/dbraw/zinc/22/50/78/671225078.db2.gz IOFPVICIIVKNFQ-WCQYABFASA-N 1 0 358.255 2.445 20 30 FEEDRO COc1cc(Br)ccc1[C@H](C)[NH2+]C[C@@H](O)CN(C)CCC#N ZINC000566124971 675183745 /nfs/dbraw/zinc/18/37/45/675183745.db2.gz MCSOLCRJZGKAGN-GXTWGEPZSA-N 1 0 370.291 2.315 20 30 FEEDRO CCCCCCCC(=O)N1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000818015187 675191021 /nfs/dbraw/zinc/19/10/21/675191021.db2.gz KVJQJXPPGDHGCQ-IRXDYDNUSA-N 1 0 350.507 2.094 20 30 FEEDRO Cc1nsc(N2CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)CC2)c1C#N ZINC000582155361 671973010 /nfs/dbraw/zinc/97/30/10/671973010.db2.gz FGNQWNASRGEDBO-HNNXBMFYSA-N 1 0 361.515 2.236 20 30 FEEDRO Cc1cc(SCC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)ccc1C#N ZINC000582785444 672034025 /nfs/dbraw/zinc/03/40/25/672034025.db2.gz HMCAHSXJYHXLEM-QGZVFWFLSA-N 1 0 361.511 2.432 20 30 FEEDRO N#Cc1ccsc1NC(=O)CC[N@H+]1CCOC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000585800960 672236249 /nfs/dbraw/zinc/23/62/49/672236249.db2.gz YVWRZYPUNXVWLQ-XHSDSOJGSA-N 1 0 363.483 2.200 20 30 FEEDRO N#Cc1ccsc1NC(=O)CC[N@H+]1CCOC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000585800957 672236259 /nfs/dbraw/zinc/23/62/59/672236259.db2.gz YVWRZYPUNXVWLQ-ARFHVFGLSA-N 1 0 363.483 2.200 20 30 FEEDRO C#CCOc1ccc(Br)cc1C[NH2+]C[C@](C)(O)CCOC ZINC000172069174 672338998 /nfs/dbraw/zinc/33/89/98/672338998.db2.gz BSKQDOAFICPTNK-MRXNPFEDSA-N 1 0 356.260 2.338 20 30 FEEDRO C=CCn1c(=S)n(CN2CC[C@H](C[NH+]3CCOCC3)C2)nc1C1CC1 ZINC000172934836 672346365 /nfs/dbraw/zinc/34/63/65/672346365.db2.gz GWUZWEWOSCCFQT-OAHLLOKOSA-N 1 0 363.531 2.089 20 30 FEEDRO CC(C)(C)OC(=O)NCCC(=O)NC[C@@H]1CCCC[N@@H+]1CCCC#N ZINC000186101273 672541542 /nfs/dbraw/zinc/54/15/42/672541542.db2.gz OUBYUQQBVTXYJK-HNNXBMFYSA-N 1 0 352.479 2.176 20 30 FEEDRO C[C@H]1COCC[N@@H+]1C1CCN(C(=O)CSc2ccc(C#N)cc2)CC1 ZINC000590554407 672589109 /nfs/dbraw/zinc/58/91/09/672589109.db2.gz BPFACELYTQJIQV-HNNXBMFYSA-N 1 0 359.495 2.362 20 30 FEEDRO Cc1ccc(CNC(=[NH2+])N2CCSCC2)c(-n2cc(Cl)cn2)n1 ZINC000189056669 672606233 /nfs/dbraw/zinc/60/62/33/672606233.db2.gz OTSMDZHFPVEMPJ-UHFFFAOYSA-N 1 0 350.879 2.093 20 30 FEEDRO N#Cc1ccc(-n2ccc(NC(=O)N[C@H]3CCC[NH2+]CC3)n2)c(Cl)c1 ZINC000591297793 672667123 /nfs/dbraw/zinc/66/71/23/672667123.db2.gz VJXOYHFBOFNBJN-ZDUSSCGKSA-N 1 0 358.833 2.661 20 30 FEEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CCC(C)([NH3+])CC1 ZINC000591303242 672667671 /nfs/dbraw/zinc/66/76/71/672667671.db2.gz PJFWTHIOKTXDKF-CYBMUJFWSA-N 1 0 360.483 2.217 20 30 FEEDRO CC(C)CN1CCCC[C@@H]1C[NH2+]CCS(=O)(=O)c1cccc(C#N)c1 ZINC000591756881 672708455 /nfs/dbraw/zinc/70/84/55/672708455.db2.gz XXGKYGALSWIIOH-GOSISDBHSA-N 1 0 363.527 2.432 20 30 FEEDRO C=C[C@H](O)C(=O)N(C[C@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000611721937 676052160 /nfs/dbraw/zinc/05/21/60/676052160.db2.gz NUJDDXTXNIKKDH-HOTGVXAUSA-N 1 0 356.388 2.446 20 30 FEEDRO CSc1ccc([C@@H](CNC(=O)N2CC[C@@](O)(CC#N)C2)[NH+](C)C)cc1 ZINC000592026531 672735972 /nfs/dbraw/zinc/73/59/72/672735972.db2.gz AWOZIJNOPKIAIR-AEFFLSMTSA-N 1 0 362.499 2.071 20 30 FEEDRO CC(C)[NH+](CCNC(=O)C1CCN(C(=O)C(C)(C)C#N)CC1)C(C)C ZINC000195096240 672775440 /nfs/dbraw/zinc/77/54/40/672775440.db2.gz QGFZOHKTHGQUEH-UHFFFAOYSA-N 1 0 350.507 2.010 20 30 FEEDRO N#Cc1cc(S(=O)(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)ccc1Cl ZINC000592376050 672793840 /nfs/dbraw/zinc/79/38/40/672793840.db2.gz XKXNESDMRCJREY-WBMJQRKESA-N 1 0 353.875 2.364 20 30 FEEDRO C=CCCS(=O)(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000247061070 672846130 /nfs/dbraw/zinc/84/61/30/672846130.db2.gz VLXCFMZWNWFRBX-ZWKOTPCHSA-N 1 0 357.564 2.161 20 30 FEEDRO CCCCn1c([C@H](CC)[NH+](C)C)nn(CN2CCOC[C@H]2C#N)c1=S ZINC000247173671 672847438 /nfs/dbraw/zinc/84/74/38/672847438.db2.gz RKYMFQVWAIDOFI-CABCVRRESA-N 1 0 366.535 2.409 20 30 FEEDRO COCC[N@@H+]1CCN(CC(=O)Nc2sc(C)c(C)c2C#N)C(C)(C)C1 ZINC000593102058 672876648 /nfs/dbraw/zinc/87/66/48/672876648.db2.gz VFZRYMAVBJYCPP-UHFFFAOYSA-N 1 0 364.515 2.218 20 30 FEEDRO C[NH+](C)CC1(NC(=O)Cc2ccc(Br)cc2C#N)CCC1 ZINC000593146989 672883100 /nfs/dbraw/zinc/88/31/00/672883100.db2.gz JAPMKEXMYAPKCC-UHFFFAOYSA-N 1 0 350.260 2.464 20 30 FEEDRO CC[NH+]=C(NC[C@](C)(O)c1cccs1)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000261663370 672900940 /nfs/dbraw/zinc/90/09/40/672900940.db2.gz GDZGISFYPHPUBG-ZDRJDWQYSA-N 1 0 363.527 2.468 20 30 FEEDRO C[NH+]=C(NCC1(O)CCCC1)N(C)Cc1cc(Br)cn1C ZINC000261676353 672901241 /nfs/dbraw/zinc/90/12/41/672901241.db2.gz CQCYUPVFMYDJNU-UHFFFAOYSA-N 1 0 357.296 2.100 20 30 FEEDRO C#CCNC(=[NH+]CC)N1CCN(C(=O)Cc2cccc(Cl)c2)[C@@H](C)C1 ZINC000261747663 672902499 /nfs/dbraw/zinc/90/24/99/672902499.db2.gz CAHNGJJXKCPGBS-HNNXBMFYSA-N 1 0 360.889 2.014 20 30 FEEDRO CC[NH+]=C(NCc1scnc1C)N1CC(=O)N(C(C)C)C(C)(C)C1 ZINC000261796098 672903257 /nfs/dbraw/zinc/90/32/57/672903257.db2.gz GPHJFSOPJUZLQB-UHFFFAOYSA-N 1 0 351.520 2.248 20 30 FEEDRO CC[NH+]=C(NCC1(O)CCC1)N(C)Cc1cc(Br)cn1C ZINC000261845733 672904054 /nfs/dbraw/zinc/90/40/54/672904054.db2.gz XGDAURARMVDDIR-UHFFFAOYSA-N 1 0 357.296 2.100 20 30 FEEDRO CNC(=O)c1ccc(CNC(=[NH+]C)N(C)Cc2cc(Cl)cn2C)cc1 ZINC000261993615 672906790 /nfs/dbraw/zinc/90/67/90/672906790.db2.gz RVVOYRUWWXXFNC-UHFFFAOYSA-N 1 0 361.877 2.246 20 30 FEEDRO C[NH+]=C(NCCNc1nc2ccccc2s1)N1CC[C@]2(CCOC2)C1 ZINC000261994703 672907109 /nfs/dbraw/zinc/90/71/09/672907109.db2.gz SCTWMOZAYVNQEQ-SFHVURJKSA-N 1 0 359.499 2.396 20 30 FEEDRO C[NH+]=C(NCc1cc(F)cc(Br)c1)N1CCO[C@H](COC)C1 ZINC000262026731 672908017 /nfs/dbraw/zinc/90/80/17/672908017.db2.gz WRXJORBTFBYIOL-AWEZNQCLSA-N 1 0 374.254 2.011 20 30 FEEDRO C[NH+]=C(NCCSc1ccc(C)cc1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000262013269 672908049 /nfs/dbraw/zinc/90/80/49/672908049.db2.gz XCJALMDECCYLCT-UHFFFAOYSA-N 1 0 369.556 2.172 20 30 FEEDRO C[NH+]=C(NCC1CCSCC1)NCC1(N2CCOCC2)CCCCC1 ZINC000262386629 672914664 /nfs/dbraw/zinc/91/46/64/672914664.db2.gz DXFCHWOGGLEHNL-UHFFFAOYSA-N 1 0 368.591 2.330 20 30 FEEDRO CC(C)C[NH+]=C(NC[C@H]1CCS(=O)(=O)C1)N1CCc2ccccc2C1 ZINC000262450627 672915910 /nfs/dbraw/zinc/91/59/10/672915910.db2.gz VYPCALYVUNLEDZ-MRXNPFEDSA-N 1 0 363.527 2.081 20 30 FEEDRO C[NH+]=C(NCCc1sc(C)nc1C)N[C@@H]1CCC[C@@H](C(=O)N(C)C)C1 ZINC000262745789 672920081 /nfs/dbraw/zinc/92/00/81/672920081.db2.gz AFJIINRPHCWTGZ-HUUCEWRRSA-N 1 0 365.547 2.114 20 30 FEEDRO CN1CCC[NH+]=C1NCc1c(Br)cncc1Br ZINC000263023121 672925865 /nfs/dbraw/zinc/92/58/65/672925865.db2.gz AGGHQGRUKWJQNK-UHFFFAOYSA-N 1 0 362.069 2.388 20 30 FEEDRO CC[N@@H+]1CCN(C(=O)Cc2ccc(Br)cc2C#N)C[C@@H]1C ZINC000593557795 672942670 /nfs/dbraw/zinc/94/26/70/672942670.db2.gz RCUXEYVXDPIASE-LBPRGKRZSA-N 1 0 350.260 2.416 20 30 FEEDRO CCO[C@@H](CC[NH+](C)C)CNS(=O)(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000593558152 672942701 /nfs/dbraw/zinc/94/27/01/672942701.db2.gz FFPIKWJGUWAGOP-INIZCTEOSA-N 1 0 367.515 2.123 20 30 FEEDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)Cc3ccc(Br)cc3C#N)[C@@H]2C1 ZINC000593589997 672952433 /nfs/dbraw/zinc/95/24/33/672952433.db2.gz WPPPFVDUKIDWQG-MLGOLLRUSA-N 1 0 362.271 2.416 20 30 FEEDRO C[C@H](CC#N)NC(=O)C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000593594667 672953774 /nfs/dbraw/zinc/95/37/74/672953774.db2.gz WPYDPUFOLHLQED-CQSZACIVSA-N 1 0 360.483 2.231 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)C(=O)N[C@@H](C)C[NH+]1CCC(C)CC1 ZINC000612484507 676084182 /nfs/dbraw/zinc/08/41/82/676084182.db2.gz BNUUHVLGSKZEMW-INIZCTEOSA-N 1 0 363.527 2.499 20 30 FEEDRO CCCCCCCCNC(=[NH2+])NC[C@]1(N2CCOCC2)CCSC1 ZINC000303898952 673018362 /nfs/dbraw/zinc/01/83/62/673018362.db2.gz VUPNERNSKQIXQU-GOSISDBHSA-N 1 0 356.580 2.459 20 30 FEEDRO C[C@H]1CCCN(C(=[NH2+])NC[C@@H](O)COc2ccc(C(F)(F)F)cc2)C1 ZINC000303903619 673018955 /nfs/dbraw/zinc/01/89/55/673018955.db2.gz YMGUSJDVPJPUHG-GXTWGEPZSA-N 1 0 359.392 2.492 20 30 FEEDRO CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCOc1ccccc1C(F)(F)F ZINC000304751728 673020291 /nfs/dbraw/zinc/02/02/91/673020291.db2.gz JQCLKBPWRXAXEG-ZDUSSCGKSA-N 1 0 358.408 2.473 20 30 FEEDRO CC(C)CNC(=[NH2+])NCCC(=O)N(C)Cc1ccccc1Br ZINC000304765358 673020911 /nfs/dbraw/zinc/02/09/11/673020911.db2.gz ZFDRSWOQJYUYRR-UHFFFAOYSA-N 1 0 369.307 2.358 20 30 FEEDRO CC(C)NS(=O)(=O)Cc1ccc(CNC(=[NH2+])N2CCCCCC2)cc1 ZINC000305064567 673021528 /nfs/dbraw/zinc/02/15/28/673021528.db2.gz MKDPKGZJRFTNLD-UHFFFAOYSA-N 1 0 366.531 2.205 20 30 FEEDRO N#Cc1cc(NC(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)ccc1Cl ZINC000594325121 673058612 /nfs/dbraw/zinc/05/86/12/673058612.db2.gz BGXIHOCSKAIWIJ-CVEARBPZSA-N 1 0 360.845 2.283 20 30 FEEDRO C[C@@H]1C[NH+](CC2CCN(C(=O)NC[C@@H]3CCCCO3)CC2)C[C@@H](C)O1 ZINC000328716990 673065441 /nfs/dbraw/zinc/06/54/41/673065441.db2.gz FBLGUOQGMIJRBU-NUJGCVRESA-N 1 0 353.507 2.291 20 30 FEEDRO CC(=O)N1CCC(CNC(=O)N2CCC([NH+]3CCCCC3)CC2)CC1 ZINC000329094656 673071761 /nfs/dbraw/zinc/07/17/61/673071761.db2.gz BAKPYJBBJCHFIY-UHFFFAOYSA-N 1 0 350.507 2.109 20 30 FEEDRO COc1ccc(Cl)cc1NC(=O)CCNC(=O)[C@H]([NH3+])CCCCC#N ZINC000594446858 673073603 /nfs/dbraw/zinc/07/36/03/673073603.db2.gz YKNFPZGRSDEETP-CYBMUJFWSA-N 1 0 366.849 2.205 20 30 FEEDRO COCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[C@H]2C(=O)N2CCCC2)C1 ZINC000329246379 673073869 /nfs/dbraw/zinc/07/38/69/673073869.db2.gz RCFDMDPIPHUSLW-GVDBMIGSSA-N 1 0 351.491 2.092 20 30 FEEDRO Cc1cnc([C@H](C)NC(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)o1 ZINC000329409700 673076493 /nfs/dbraw/zinc/07/64/93/673076493.db2.gz CSLLCIMMLAQGPP-NUEKZKHPSA-N 1 0 350.463 2.316 20 30 FEEDRO O=C(CCc1c[nH]cn1)NC1CCC(C(=O)N2CCSCC2)CC1 ZINC000329445374 673077452 /nfs/dbraw/zinc/07/74/52/673077452.db2.gz NRGRUEXQEBUATH-UHFFFAOYSA-N 1 0 350.488 2.433 20 30 FEEDRO CC[C@H](C)[C@H](NC(=O)N1CCCC1)C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000329750347 673082650 /nfs/dbraw/zinc/08/26/50/673082650.db2.gz IAUWVYOIHYYTLY-ULQDDVLXSA-N 1 0 352.523 2.211 20 30 FEEDRO O=C(NCc1nc(C(F)(F)F)n[nH]1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000330099168 673085535 /nfs/dbraw/zinc/08/55/35/673085535.db2.gz CRYYOUMGAJZQBD-LLVKDONJSA-N 1 0 360.384 2.188 20 30 FEEDRO C=CCOC[C@H]1NC(=O)N(C[C@H](c2ccc(Cl)cc2)[NH+](C)C)C1=O ZINC000348614251 673116267 /nfs/dbraw/zinc/11/62/67/673116267.db2.gz FDLHPHSAPIVHGK-HUUCEWRRSA-N 1 0 351.834 2.066 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)cc1F ZINC000594853956 673164308 /nfs/dbraw/zinc/16/43/08/673164308.db2.gz BMXWRERXWVJWIN-CQSZACIVSA-N 1 0 351.447 2.383 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)cc1F ZINC000594853955 673164341 /nfs/dbraw/zinc/16/43/41/673164341.db2.gz BMXWRERXWVJWIN-AWEZNQCLSA-N 1 0 351.447 2.383 20 30 FEEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N(C)CC1C[NH+](C)C1 ZINC000595150009 673200748 /nfs/dbraw/zinc/20/07/48/673200748.db2.gz BXAQSWBCSOJEIS-ZDUSSCGKSA-N 1 0 360.483 2.039 20 30 FEEDRO N#Cc1sccc1N1CCN(C(=O)[C@H](C[NH3+])c2ccc(F)cc2)CC1 ZINC000595255229 673214246 /nfs/dbraw/zinc/21/42/46/673214246.db2.gz BUTQVEHQYCZJOZ-OAHLLOKOSA-N 1 0 358.442 2.150 20 30 FEEDRO C[NH+](C)C1CCC2(CC1)CCN(S(=O)(=O)c1cccnc1C#N)CC2 ZINC000595347025 673229264 /nfs/dbraw/zinc/22/92/64/673229264.db2.gz LBLNMFFJMKQPOD-UHFFFAOYSA-N 1 0 362.499 2.228 20 30 FEEDRO COC(=O)Cc1csc(NC(=O)C[NH2+][C@@H](C)c2cccc(C#N)c2)n1 ZINC000613175263 676115609 /nfs/dbraw/zinc/11/56/09/676115609.db2.gz GFSOJKUOOMKYTA-NSHDSACASA-N 1 0 358.423 2.020 20 30 FEEDRO CCC[N@@H+]1CC[C@H](NS(=O)(=O)c2cc(Br)cc(C#N)c2)C1 ZINC000595355735 673231745 /nfs/dbraw/zinc/23/17/45/673231745.db2.gz QSQDYNCBRLQCGU-ZDUSSCGKSA-N 1 0 372.288 2.083 20 30 FEEDRO C=C(Br)CNC(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000729600851 673240764 /nfs/dbraw/zinc/24/07/64/673240764.db2.gz DUXRFQSPBLELFP-UHFFFAOYSA-N 1 0 360.296 2.039 20 30 FEEDRO CCC[NH+]1CCC(NC(=O)N2CCN(c3ccsc3C#N)CC2)CC1 ZINC000595423077 673249109 /nfs/dbraw/zinc/24/91/09/673249109.db2.gz DXVVKGUTIVJXGE-UHFFFAOYSA-N 1 0 361.515 2.326 20 30 FEEDRO CC[NH+]1CCC(CNC(=O)N2CCN(c3ccsc3C#N)CC2)CC1 ZINC000595544678 673263849 /nfs/dbraw/zinc/26/38/49/673263849.db2.gz BXLLYDKIWSCMJQ-UHFFFAOYSA-N 1 0 361.515 2.183 20 30 FEEDRO CO[C@@H]1CCC[C@@H]([C@H](CO)[NH2+]CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000595630719 673276258 /nfs/dbraw/zinc/27/62/58/673276258.db2.gz BHWXFBVMVDMGON-VMGRFDJRSA-N 1 0 365.861 2.306 20 30 FEEDRO C=CCNC(=O)NC(=O)C[NH2+][C@]1(Cc2ccc(Cl)cc2)CCCOC1 ZINC000595670307 673281338 /nfs/dbraw/zinc/28/13/38/673281338.db2.gz BCVIFONXTFHJME-SFHVURJKSA-N 1 0 365.861 2.033 20 30 FEEDRO C[C@@]1(C#N)CCN(CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C1 ZINC000595840910 673329304 /nfs/dbraw/zinc/32/93/04/673329304.db2.gz RELWJJRZOWKKSZ-IBGZPJMESA-N 1 0 358.511 2.409 20 30 FEEDRO CCc1cc[n+](C(C(=O)C2C=CC(=NC(N)=O)C=C2)C(=S)NC)cc1 ZINC000732179360 673356279 /nfs/dbraw/zinc/35/62/79/673356279.db2.gz ILDGYDHMAGABFR-UHFFFAOYSA-O 1 0 357.459 2.270 20 30 FEEDRO CCc1nc(C#N)cc(NC[C@@H]2CSCC[N@@H+]2Cc2ccccc2)n1 ZINC000596210750 673368361 /nfs/dbraw/zinc/36/83/61/673368361.db2.gz PWJGKZMPVWKMFK-QGZVFWFLSA-N 1 0 353.495 2.940 20 30 FEEDRO C[N@H+](CCC(=O)Nc1sccc1C#N)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000732809861 673384233 /nfs/dbraw/zinc/38/42/33/673384233.db2.gz HKKMVGDJPWRIKQ-LLVKDONJSA-N 1 0 374.388 2.043 20 30 FEEDRO C=CCc1ccccc1OC[C@H](O)CN1C[C@@H](SC)[C@@H]([NH+](C)C)C1 ZINC000537288901 673385616 /nfs/dbraw/zinc/38/56/16/673385616.db2.gz DLUHHEXPOFSOBT-ZIFCJYIRSA-N 1 0 350.528 2.132 20 30 FEEDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCN(c2ccsc2C#N)CC1 ZINC000596599799 673396267 /nfs/dbraw/zinc/39/62/67/673396267.db2.gz VETWDTWUMHCDQE-HNNXBMFYSA-N 1 0 361.515 2.326 20 30 FEEDRO C#CC[N@@H+](CCC(=O)NC)[C@@H]1CCOc2ccc(Br)cc21 ZINC000733196385 673402902 /nfs/dbraw/zinc/40/29/02/673402902.db2.gz CTIRBSVYZKTCCR-CQSZACIVSA-N 1 0 351.244 2.344 20 30 FEEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)C(=O)Nc1cccc(S(=O)(=O)NC)c1 ZINC000537968135 673415520 /nfs/dbraw/zinc/41/55/20/673415520.db2.gz RRYACXKHDPFWIS-MJBXVCDLSA-N 1 0 353.488 2.112 20 30 FEEDRO C=CCCSCCNC(=O)C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000597217252 673457348 /nfs/dbraw/zinc/45/73/48/673457348.db2.gz NMLIAEQBCBRGQG-OAHLLOKOSA-N 1 0 355.548 2.039 20 30 FEEDRO C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CCC[C@H]1CSC ZINC000597283836 673463455 /nfs/dbraw/zinc/46/34/55/673463455.db2.gz HXBVQWVTXUSBHL-PMPSAXMXSA-N 1 0 363.531 2.332 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)OCC(=O)N(C)Cc2ccc(Cl)s2)CC1 ZINC000735940628 673508737 /nfs/dbraw/zinc/50/87/37/673508737.db2.gz SJLDQJIJYHBMKF-UHFFFAOYSA-N 1 0 368.886 2.248 20 30 FEEDRO N#CCSc1ccccc1C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000736257229 673517393 /nfs/dbraw/zinc/51/73/93/673517393.db2.gz IHGRTONVHXAEMC-UHFFFAOYSA-N 1 0 359.495 2.487 20 30 FEEDRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C ZINC000598265398 673553679 /nfs/dbraw/zinc/55/36/79/673553679.db2.gz SOPQZTSGLRDWPD-BEFAXECRSA-N 1 0 351.491 2.485 20 30 FEEDRO CC[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)c1c(C)nn(C)c1C ZINC000542525078 673589075 /nfs/dbraw/zinc/58/90/75/673589075.db2.gz CINPAMVJPSDWEZ-QGZVFWFLSA-N 1 0 360.483 2.423 20 30 FEEDRO CCC1(C(=O)Nc2n[nH]c(CCC[NH2+]C)c2C#N)CCC(F)(F)CC1 ZINC000598653542 673594359 /nfs/dbraw/zinc/59/43/59/673594359.db2.gz XSRLVYADJOCSNR-UHFFFAOYSA-N 1 0 353.417 2.978 20 30 FEEDRO CC(C)(C#N)C[C@H](O)C[NH2+]CCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000598728000 673603637 /nfs/dbraw/zinc/60/36/37/673603637.db2.gz LTDYAUUKUDOKRB-AWEZNQCLSA-N 1 0 358.891 2.394 20 30 FEEDRO CC(C)(C#N)C[C@H](O)C[NH2+]C[C@H](O)COc1ccccc1Br ZINC000598730603 673604350 /nfs/dbraw/zinc/60/43/50/673604350.db2.gz XCVBPMUWAGZQIR-STQMWFEESA-N 1 0 371.275 2.079 20 30 FEEDRO CCOC(=O)CC[C@H]1CCC[N@H+](C[C@@H](O)CC2(C#N)CCOCC2)C1 ZINC000599339004 673661098 /nfs/dbraw/zinc/66/10/98/673661098.db2.gz DMMXMRHDKNTEJB-SJORKVTESA-N 1 0 352.475 2.113 20 30 FEEDRO CCOC(=O)CCC1CC[NH+](C[C@H](O)CC2(C#N)CCOCC2)CC1 ZINC000599341869 673661705 /nfs/dbraw/zinc/66/17/05/673661705.db2.gz WLANDYGUCCIAAA-QGZVFWFLSA-N 1 0 352.475 2.113 20 30 FEEDRO CC(=NNCC[NH+]1CCCCC1)c1ccc(N2CCCS2(=O)=O)cc1 ZINC000741162856 673673726 /nfs/dbraw/zinc/67/37/26/673673726.db2.gz JJHZRXDWKTXCNF-UHFFFAOYSA-N 1 0 364.515 2.026 20 30 FEEDRO CC(C)(C)OC(=O)[C@@]1(C)CCC[N@@H+]1C[C@H](O)CC1(C#N)CCOCC1 ZINC000599501495 673685550 /nfs/dbraw/zinc/68/55/50/673685550.db2.gz YOQOJXDVKNFFRY-CRAIPNDOSA-N 1 0 352.475 2.254 20 30 FEEDRO C[C@@H](CCNS(=O)(=O)Cc1cc(C#N)ccc1F)[NH+]1CCCCC1 ZINC000544187135 673697048 /nfs/dbraw/zinc/69/70/48/673697048.db2.gz OZDBHXHVIQWRBE-AWEZNQCLSA-N 1 0 353.463 2.381 20 30 FEEDRO N#Cc1ccc(NC(=O)C(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)cc1Cl ZINC000600062955 673738044 /nfs/dbraw/zinc/73/80/44/673738044.db2.gz KVUKEOKZRYEUFB-OAHLLOKOSA-N 1 0 360.845 2.283 20 30 FEEDRO N#C[C@H](c1cccs1)N1CCN(C(=O)C[N@@H+]2CC[C@H]3CCC[C@@H]32)CC1 ZINC000614600340 676182945 /nfs/dbraw/zinc/18/29/45/676182945.db2.gz FXZBJXRFDSMFJC-IXDOHACOSA-N 1 0 358.511 2.331 20 30 FEEDRO C[C@]1(C[NH2+]C[C@H](O)CC2(C#N)CCOCC2)OCCc2sccc21 ZINC000600739234 673795446 /nfs/dbraw/zinc/79/54/46/673795446.db2.gz AHXGKWKHDMRYAP-RHSMWYFYSA-N 1 0 350.484 2.197 20 30 FEEDRO Cc1cccc2c1C[C@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)CO2 ZINC000600749224 673796341 /nfs/dbraw/zinc/79/63/41/673796341.db2.gz PNQLOHATJHHBLU-INIZCTEOSA-N 1 0 356.447 2.234 20 30 FEEDRO CN(CCC#N)C[C@H](O)C[NH2+][C@H](CCO)c1cc(Cl)cc(Cl)c1 ZINC000600758927 673797121 /nfs/dbraw/zinc/79/71/21/673797121.db2.gz DGVPTZLEQZZIGV-HZPDHXFCSA-N 1 0 360.285 2.213 20 30 FEEDRO C[N@H+](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)CC1(O)CCC1 ZINC000546807878 673819932 /nfs/dbraw/zinc/81/99/32/673819932.db2.gz OIMBQXMYKBFWFG-UHFFFAOYSA-N 1 0 354.372 2.020 20 30 FEEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)S(=O)(=O)CCC[NH+]1CCCC1 ZINC000601320540 673842146 /nfs/dbraw/zinc/84/21/46/673842146.db2.gz AVLCMRMKPSCTBN-UHFFFAOYSA-N 1 0 367.471 2.399 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N2CCC([C@@](C)(O)C(F)(F)F)CC2)CC1 ZINC000547343710 673844701 /nfs/dbraw/zinc/84/47/01/673844701.db2.gz XPWBGSOFIRWPQE-MRXNPFEDSA-N 1 0 363.424 2.372 20 30 FEEDRO N#Cc1c(Br)cccc1S(=O)(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000601346962 673846090 /nfs/dbraw/zinc/84/60/90/673846090.db2.gz CZYAFNCEAPVLQR-XYPYZODXSA-N 1 0 372.288 2.117 20 30 FEEDRO Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000601372444 673850422 /nfs/dbraw/zinc/85/04/22/673850422.db2.gz YFZNQERSFLMEOS-BBRMVZONSA-N 1 0 351.447 2.111 20 30 FEEDRO Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000601387621 673853597 /nfs/dbraw/zinc/85/35/97/673853597.db2.gz ZZVSSAXTYFLXRP-UHFFFAOYSA-N 1 0 353.463 2.358 20 30 FEEDRO C[NH+](C)CCc1ccc(CNS(=O)(=O)c2ccccc2CC#N)cc1 ZINC000601399961 673855504 /nfs/dbraw/zinc/85/55/04/673855504.db2.gz MEZOFFDHZVOIRG-UHFFFAOYSA-N 1 0 357.479 2.335 20 30 FEEDRO CC1([NH+]2CCCC2)CCN(S(=O)(=O)c2ccc(F)cc2C#N)CC1 ZINC000601497386 673870714 /nfs/dbraw/zinc/87/07/14/673870714.db2.gz UDECJHDLGAGLAU-UHFFFAOYSA-N 1 0 351.447 2.336 20 30 FEEDRO CC(C)(C)S(=O)(=O)N1CCC([NH2+]Cc2cccc(F)c2C#N)CC1 ZINC000602018230 673901348 /nfs/dbraw/zinc/90/13/48/673901348.db2.gz XRKOVKIJBFTLCN-UHFFFAOYSA-N 1 0 353.463 2.380 20 30 FEEDRO CCC1([NH+](C)C)CCN(C(=O)C(=O)Nc2cc(C#N)ccc2Cl)CC1 ZINC000602068567 673901803 /nfs/dbraw/zinc/90/18/03/673901803.db2.gz YKRZEAROJKJBQL-UHFFFAOYSA-N 1 0 362.861 2.483 20 30 FEEDRO N#Cc1cc(N2CCC(CO)([NH2+]CC3CC3)CC2)ncc1Br ZINC000603390466 673928808 /nfs/dbraw/zinc/92/88/08/673928808.db2.gz KOYFOFYOSMZOHL-UHFFFAOYSA-N 1 0 365.275 2.047 20 30 FEEDRO C[C@@H]1CC[N@H+](CCNS(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)C1 ZINC000548766595 673993646 /nfs/dbraw/zinc/99/36/46/673993646.db2.gz LRCMRURECQHNDE-LLVKDONJSA-N 1 0 361.389 2.197 20 30 FEEDRO C#CCNC(=O)CC[NH2+][C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000819066956 675257958 /nfs/dbraw/zinc/25/79/58/675257958.db2.gz DLALJHQVRFXIIC-MRXNPFEDSA-N 1 0 353.388 2.009 20 30 FEEDRO N#CCNC(=O)C[NH2+][C@H](c1cccc(C(F)(F)F)c1)C1CCOCC1 ZINC000567297179 675282008 /nfs/dbraw/zinc/28/20/08/675282008.db2.gz OYZJNABDFZNMEH-INIZCTEOSA-N 1 0 355.360 2.402 20 30 FEEDRO OCC[NH+]1CCC(=NNC(=S)Nc2ccccc2C(F)(F)F)CC1 ZINC000819806859 675316136 /nfs/dbraw/zinc/31/61/36/675316136.db2.gz ZLSJFUZRQWNWHG-UHFFFAOYSA-N 1 0 360.405 2.436 20 30 FEEDRO C=CC1(CC(=O)N2CC[C@@H]([NH+](C)C)[C@@H]2C)CN(C(=O)OC(C)(C)C)C1 ZINC000820558166 675370206 /nfs/dbraw/zinc/37/02/06/675370206.db2.gz MYLWMWLXVHMYCB-LSDHHAIUSA-N 1 0 351.491 2.351 20 30 FEEDRO C#C[C@@H](NC(=O)NCCN(C)CCC[NH+](C)C)c1ccc(Cl)cc1F ZINC000820755628 675385572 /nfs/dbraw/zinc/38/55/72/675385572.db2.gz NBQWBXQNCMEGAB-QGZVFWFLSA-N 1 0 368.884 2.336 20 30 FEEDRO C#CCN(CC)Cc1cc(Br)ccc1O[C@@H](C)C(=O)NC ZINC000823419027 675551728 /nfs/dbraw/zinc/55/17/28/675551728.db2.gz OQIPCTPTRYJOHP-LBPRGKRZSA-N 1 0 353.260 2.418 20 30 FEEDRO CC1(C#N)CCC([NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)CC1 ZINC000823851670 675574709 /nfs/dbraw/zinc/57/47/09/675574709.db2.gz VMUOETNFCAJKAL-UHFFFAOYSA-N 1 0 361.511 2.483 20 30 FEEDRO C=C(C[NH+](C)C)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000826031521 675678797 /nfs/dbraw/zinc/67/87/97/675678797.db2.gz DIKCEGDAZHWEEB-MUJYYYPQSA-N 1 0 351.491 2.399 20 30 FEEDRO C=C(C[NH+](C)C)C(=O)N1CCC(O)(Cc2nc(C(C)(C)C)cs2)CC1 ZINC000827646784 675770622 /nfs/dbraw/zinc/77/06/22/675770622.db2.gz YMRZJYOVTNAEGT-UHFFFAOYSA-N 1 0 365.543 2.454 20 30 FEEDRO O=C(C#Cc1cccs1)NCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000828936211 675853260 /nfs/dbraw/zinc/85/32/60/675853260.db2.gz LCIMGWBZDBZNMA-SFHVURJKSA-N 1 0 354.475 2.373 20 30 FEEDRO N#Cc1ccc2c(c1)C[C@@H](NC(=O)C1CC[NH+]([C@H]3CCSC3)CC1)C2 ZINC000829485325 675880735 /nfs/dbraw/zinc/88/07/35/675880735.db2.gz BDONILAGZKPZEZ-OALUTQOASA-N 1 0 355.507 2.359 20 30 FEEDRO C=C(C)C[C@@H](NC(C)=O)C(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000616157038 676240876 /nfs/dbraw/zinc/24/08/76/676240876.db2.gz QYFRZHXKBBXAIT-OAHLLOKOSA-N 1 0 363.424 2.333 20 30 FEEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000622025636 676486305 /nfs/dbraw/zinc/48/63/05/676486305.db2.gz VFGNMVLCELOJAX-YVEFUNNKSA-N 1 0 367.902 2.256 20 30 FEEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000622025635 676486359 /nfs/dbraw/zinc/48/63/59/676486359.db2.gz VFGNMVLCELOJAX-SJKOYZFVSA-N 1 0 367.902 2.256 20 30 FEEDRO C=CCCCS(=O)(=O)N1CCO[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000651840929 677455813 /nfs/dbraw/zinc/45/58/13/677455813.db2.gz BEYKDVMIYWFHCP-RBUKOAKNSA-N 1 0 364.511 2.258 20 30 FEEDRO C=C[C@H](CO)[NH2+]CC(=O)N(C)[C@]1(c2ccccc2Cl)CCCCC1=O ZINC000662167622 678585188 /nfs/dbraw/zinc/58/51/88/678585188.db2.gz BYQOCSOZIHBRDU-KUHUBIRLSA-N 1 0 364.873 2.273 20 30 FEEDRO C=CC[C@]1(C(=O)Nc2cccc(S(=O)(=O)N[C@@H](C)CC)c2)CCC[NH2+]1 ZINC000662645032 678646501 /nfs/dbraw/zinc/64/65/01/678646501.db2.gz HBBHJVSZZAGCQP-KBXCAEBGSA-N 1 0 365.499 2.400 20 30 FEEDRO C=CC[C@]1(C(=O)NCCC(=O)Nc2cc(Cl)ccc2OC)CCC[NH2+]1 ZINC000662646248 678646529 /nfs/dbraw/zinc/64/65/29/678646529.db2.gz NHLLAADTDPVWAT-GOSISDBHSA-N 1 0 365.861 2.492 20 30 FEEDRO C=CC[C@@]1(C(=O)NCc2nnc3ccc(C(F)(F)F)cn32)CCC[NH2+]1 ZINC000662669926 678648780 /nfs/dbraw/zinc/64/87/80/678648780.db2.gz HIUNCNUOKMZRMI-HNNXBMFYSA-N 1 0 353.348 2.063 20 30 FEEDRO C=CCn1nnn(CN2CC[N@H+](Cc3ccccc3)C[C@@H](C)C2)c1=S ZINC000840136092 680801562 /nfs/dbraw/zinc/80/15/62/680801562.db2.gz SEWMTRCLNSKGLK-MRXNPFEDSA-N 1 0 358.515 2.406 20 30 FEEDRO C=CCc1cc(OC)cc(C[N@H+]2CCSC[C@@H](C(=O)OC)C2)c1O ZINC000840186698 680805765 /nfs/dbraw/zinc/80/57/65/680805765.db2.gz RFWYMQLASCCDRH-HNNXBMFYSA-N 1 0 351.468 2.467 20 30 FEEDRO C[N@@H+]1CCC[C@H](N2CCN(c3cc(C(F)(F)F)cnc3C#N)CC2)C1 ZINC000840264253 680810856 /nfs/dbraw/zinc/81/08/56/680810856.db2.gz QEMUKUBAOJRODU-AWEZNQCLSA-N 1 0 353.392 2.188 20 30 FEEDRO CCC[NH2+]CCNC(=O)C(=O)Nc1cccc(C#Cc2cccs2)c1 ZINC000667422800 679101338 /nfs/dbraw/zinc/10/13/38/679101338.db2.gz DPJDEBBXWZDVME-UHFFFAOYSA-N 1 0 355.463 2.202 20 30 FEEDRO CCN(CC)C(=O)c1ccc(NC(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)cc1Cl ZINC000841027930 680860541 /nfs/dbraw/zinc/86/05/41/680860541.db2.gz GQIKBECQJYDUMD-XHDPSFHLSA-N 1 0 363.849 2.055 20 30 FEEDRO C=C(Cl)C(C)(C)C(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000975322131 680031033 /nfs/dbraw/zinc/03/10/33/680031033.db2.gz VMLNBILBCPMCOY-VNQPRFMTSA-N 1 0 369.937 2.460 20 30 FEEDRO N#Cc1ccc(C[NH+]2CCC3(C[C@H]3NC(=O)[C@]34C[C@H]3COC4)CC2)s1 ZINC001016635527 680060788 /nfs/dbraw/zinc/06/07/88/680060788.db2.gz VQSMVZKIDLKKKI-CRFBAAHOSA-N 1 0 357.479 2.127 20 30 FEEDRO C=C(Cl)C(C)(C)C(=O)N1CC=C(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001017488721 680075753 /nfs/dbraw/zinc/07/57/53/680075753.db2.gz JNVGQUFHWPUGSE-CZUORRHYSA-N 1 0 367.921 2.380 20 30 FEEDRO C=CCC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3OCCO[C@@H]3C(F)(F)F)CCC[C@H]12 ZINC000991391851 680080241 /nfs/dbraw/zinc/08/02/41/680080241.db2.gz WMVHMVVKTRFAGV-KNCOVGOOSA-N 1 0 362.392 2.022 20 30 FEEDRO C=C(Cl)C(C)(C)C(=O)N1CC[C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)[C@H]2C1 ZINC000975724090 680083816 /nfs/dbraw/zinc/08/38/16/680083816.db2.gz SEKBABAMNKANIJ-XHSDSOJGSA-N 1 0 367.921 2.166 20 30 FEEDRO C#CCN(CC(=O)NCC1(C[NH+](C)C)CCCC1)C(=O)OC(C)(C)C ZINC000832181732 680106900 /nfs/dbraw/zinc/10/69/00/680106900.db2.gz WJTLHYDEMALZML-UHFFFAOYSA-N 1 0 351.491 2.095 20 30 FEEDRO C=C(Cl)C(C)(C)C(=O)N1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@]2(C)C1 ZINC000992685481 680123890 /nfs/dbraw/zinc/12/38/90/680123890.db2.gz CWSUHJIWUUOKGX-YZVOILCLSA-N 1 0 367.921 2.166 20 30 FEEDRO C=C(Cl)C(C)(C)C(=O)N1C[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@@]2(C)C1 ZINC000992956832 680138786 /nfs/dbraw/zinc/13/87/86/680138786.db2.gz NNOUPOYDLKZYPT-CLCXKQKWSA-N 1 0 367.921 2.024 20 30 FEEDRO C=C(Br)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCO[C@H]3CC)[C@@H]2C1 ZINC000978542558 680178102 /nfs/dbraw/zinc/17/81/02/680178102.db2.gz QGAZPMKANHFOLD-ZSAUSMIDSA-N 1 0 357.292 2.004 20 30 FEEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)c1ccc(Br)cc1Br ZINC000834484522 680233304 /nfs/dbraw/zinc/23/33/04/680233304.db2.gz KBLUAHQDIAPIJK-CPCISQLKSA-N 1 0 373.048 2.053 20 30 FEEDRO C=C(CC)C[NH2+][C@@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000834902445 680281134 /nfs/dbraw/zinc/28/11/34/680281134.db2.gz IBKJOLNDXMHQTA-ZDUSSCGKSA-N 1 0 360.501 2.029 20 30 FEEDRO C=C(Br)C[NH2+][C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)CC1(C)C ZINC000995920567 680312184 /nfs/dbraw/zinc/31/21/84/680312184.db2.gz CKGUNXBTUIEROY-BZPMIXESSA-N 1 0 367.291 2.248 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)NC1CCC([NH2+]CC2CCOCC2)CC1 ZINC001026496044 680344800 /nfs/dbraw/zinc/34/48/00/680344800.db2.gz GZXIGUWRMQFBEG-GMNCBBECSA-N 1 0 350.503 2.411 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([NH2+][C@@H](C)c2nnc(C)s2)CC1 ZINC000997012459 680345318 /nfs/dbraw/zinc/34/53/18/680345318.db2.gz UDZGFLKLPGWFIY-GLQYFDAESA-N 1 0 350.488 2.079 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2ncc(Cl)s2)C1 ZINC001027075234 680354371 /nfs/dbraw/zinc/35/43/71/680354371.db2.gz OMGGXKSMJGDDAH-UPJWGTAASA-N 1 0 355.891 2.326 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2ccc(F)cc2F)C1 ZINC001027074877 680354502 /nfs/dbraw/zinc/35/45/02/680354502.db2.gz IAWPUIBWBYVSAV-QBIMZIAESA-N 1 0 350.409 2.494 20 30 FEEDRO CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCN2Cc2ccc(C#N)s2)CC[N@@H+]1C ZINC001027893042 680363660 /nfs/dbraw/zinc/36/36/60/680363660.db2.gz KWKOETAWXQULEM-JCGIZDLHSA-N 1 0 360.527 2.431 20 30 FEEDRO CC1CC[NH+](CCCCNc2cccc(S(N)(=O)=O)c2C#N)CC1 ZINC000754977194 680391426 /nfs/dbraw/zinc/39/14/26/680391426.db2.gz MPVVHBSCZIOUGP-UHFFFAOYSA-N 1 0 350.488 2.130 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC(C[N@H+](C)C[C@@H]2CCOC2)CC1 ZINC001029965893 680394525 /nfs/dbraw/zinc/39/45/25/680394525.db2.gz FJFSPTQKFGXZKT-OTWHNJEPSA-N 1 0 350.503 2.175 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]C[C@H]2CCCOC2)C1 ZINC000984905603 680395024 /nfs/dbraw/zinc/39/50/24/680395024.db2.gz PUWOZVCTTHFRAT-QQXKLLMISA-N 1 0 350.503 2.269 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2cc(OC)ns2)C1 ZINC000999196349 680398608 /nfs/dbraw/zinc/39/86/08/680398608.db2.gz XNJZLEWQZDNAGC-BMFZPTHFSA-N 1 0 365.499 2.214 20 30 FEEDRO C=C(Br)CN1CC=C(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001000694642 680437255 /nfs/dbraw/zinc/43/72/55/680437255.db2.gz FPSLONCFWBTNQY-JKSUJKDBSA-N 1 0 370.335 2.374 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cc(OC)ns2)CC1 ZINC001034737101 680438907 /nfs/dbraw/zinc/43/89/07/680438907.db2.gz PQFOCRXGWOIAEZ-XOUADPBQSA-N 1 0 365.499 2.260 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC[C@@H]2CCOC2)CC1 ZINC001034754454 680440162 /nfs/dbraw/zinc/44/01/62/680440162.db2.gz LNKSXJLDECUXEJ-QQXKLLMISA-N 1 0 350.503 2.411 20 30 FEEDRO C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2OCC[C@@H]2Cn2cccn2)CC1 ZINC001034754478 680440244 /nfs/dbraw/zinc/44/02/44/680440244.db2.gz MGNZECXYFILFSG-QBPKDAKJSA-N 1 0 366.893 2.058 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)NCC1CC[NH+](C[C@@H]2CCCCO2)CC1 ZINC001001414693 680461088 /nfs/dbraw/zinc/46/10/88/680461088.db2.gz YMEXWEQDSJOAJD-OTWHNJEPSA-N 1 0 350.503 2.365 20 30 FEEDRO C=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F ZINC001039282400 680462693 /nfs/dbraw/zinc/46/26/93/680462693.db2.gz OJTCEECWTKUDJM-ZKXZWOTCSA-N 1 0 362.392 2.020 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1 ZINC000836395707 680463487 /nfs/dbraw/zinc/46/34/87/680463487.db2.gz XNHZTLYRKZMNLB-CQSZACIVSA-N 1 0 366.868 2.312 20 30 FEEDRO C[C@@H]1[C@H](C(=O)N2CC[C@H](Nc3nc(C#N)c(Cl)s3)[C@@H]2C)CC[N@@H+]1C ZINC001040275712 680470547 /nfs/dbraw/zinc/47/05/47/680470547.db2.gz VKOTVWJUQWKFRX-KXNHARMFSA-N 1 0 367.906 2.410 20 30 FEEDRO C#CC[N@H+]1CCC[C@H]1COC(=O)[C@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000756545461 680484354 /nfs/dbraw/zinc/48/43/54/680484354.db2.gz YBUVVCCLMVVTGK-GJZGRUSLSA-N 1 0 360.841 2.334 20 30 FEEDRO C#CCNC(=S)N(C)C1CC[NH+](Cc2ncc(C)c(OC)c2C)CC1 ZINC000758216585 680562830 /nfs/dbraw/zinc/56/28/30/680562830.db2.gz VFINMRVMZJQPOR-UHFFFAOYSA-N 1 0 360.527 2.111 20 30 FEEDRO C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1Nc1nc(C#N)c(Cl)s1 ZINC001043609215 680590997 /nfs/dbraw/zinc/59/09/97/680590997.db2.gz QBEALHBCZNUSAT-RAIGVLPGSA-N 1 0 367.906 2.411 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)NC1(C)CC[NH+](CC2CC(OCC)C2)CC1 ZINC001045563953 680634859 /nfs/dbraw/zinc/63/48/59/680634859.db2.gz SUAGTNIFUDFAKK-HIEASXQVSA-N 1 0 350.503 2.363 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CC2(CO1)CC[NH+](CC(=C)Cl)CC2 ZINC001045678184 680638014 /nfs/dbraw/zinc/63/80/14/680638014.db2.gz NGIXGBGZUORGOT-BBWFWOEESA-N 1 0 368.905 2.317 20 30 FEEDRO O=C(N[C@@H]1CCCN(CC#Cc2cccc(Cl)c2)C1)[C@]12C[C@H]1COC2 ZINC001007381012 680638946 /nfs/dbraw/zinc/63/89/46/680638946.db2.gz WDVSAIAYOKRJGN-HQRMLTQVSA-N 1 0 358.869 2.309 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCC[C@]2(CC[N@@H+](CCOC)C2)C1 ZINC001045938891 680641418 /nfs/dbraw/zinc/64/14/18/680641418.db2.gz NYTATTLOKHZKLM-WSTZPKSXSA-N 1 0 350.503 2.319 20 30 FEEDRO C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CC[C@@H](Nc3nc(Cl)c(C#N)s3)C2)C1 ZINC001047310132 680660181 /nfs/dbraw/zinc/66/01/81/680660181.db2.gz NKTAPAJAUHKDMS-SDDRHHMPSA-N 1 0 367.906 2.317 20 30 FEEDRO C#CCOc1cc(F)ccc1NC(=O)N1C[C@@H](SC)[C@@H]([NH+](C)C)C1 ZINC000759987160 680673741 /nfs/dbraw/zinc/67/37/41/680673741.db2.gz ULIJKJGKYXJOGV-GOEBONIOSA-N 1 0 351.447 2.347 20 30 FEEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)Nc1nnc(-c2cc3ccccc3o2)s1 ZINC000841208490 680869026 /nfs/dbraw/zinc/86/90/26/680869026.db2.gz JPAVHQUWBXGBEI-GHMZBOCLSA-N 1 0 354.395 2.184 20 30 FEEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)Nc1cc2ccccc2nc1Br ZINC000841215115 680869383 /nfs/dbraw/zinc/86/93/83/680869383.db2.gz JJMCTSBREBCSBR-MFKMUULPSA-N 1 0 360.215 2.230 20 30 FEEDRO C[C@H]1CC(=NNC(=S)NCCC[NH+](C)C)CN(Cc2ccccc2)C1 ZINC000767378059 680909570 /nfs/dbraw/zinc/90/95/70/680909570.db2.gz MDZARAXVLOXNOT-INIZCTEOSA-N 1 0 361.559 2.300 20 30 FEEDRO C#C[C@H](NC(=O)NC[C@H]1CCC[NH2+]C1)c1ccc(Br)cc1 ZINC000841924135 680917492 /nfs/dbraw/zinc/91/74/92/680917492.db2.gz UPNYTJNWCDJQSV-WFASDCNBSA-N 1 0 350.260 2.422 20 30 FEEDRO C#CC[N@H+]1CCC[C@H]1COC(=O)[C@H]1CCC[C@H]1NC(=O)OC(C)(C)C ZINC000842301788 680937521 /nfs/dbraw/zinc/93/75/21/680937521.db2.gz AHUSUBYMBFBYCA-HRCADAONSA-N 1 0 350.459 2.321 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H](C)CNC(=O)OC(C)(C)C)CC1 ZINC000768930860 680965261 /nfs/dbraw/zinc/96/52/61/680965261.db2.gz PDQNLCDONYLHAU-CQSZACIVSA-N 1 0 354.495 2.239 20 30 FEEDRO N#Cc1cc(S(=O)(=O)N2CCCC[C@@H]2CC[NH3+])ccc1C(F)(F)F ZINC000842859556 680971691 /nfs/dbraw/zinc/97/16/91/680971691.db2.gz KFVPURKFPUJRNY-GFCCVEGCSA-N 1 0 361.389 2.469 20 30 FEEDRO CN(CCC#N)C[C@H](O)C[NH2+]CC[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000843096921 680987529 /nfs/dbraw/zinc/98/75/29/680987529.db2.gz GDKBVHKZBOKCQJ-CZUORRHYSA-N 1 0 360.285 2.213 20 30 FEEDRO C[C@H]([NH2+]C[C@@H](O)CN(C)CCC#N)[C@@H](O)c1c(Cl)cccc1Cl ZINC000843102971 680987766 /nfs/dbraw/zinc/98/77/66/680987766.db2.gz HZDMUXIAUJGQPE-HWWQOWPSSA-N 1 0 360.285 2.211 20 30 FEEDRO CSCCNC(=S)NN=C(C)c1cccc(OCC[NH+](C)C)c1 ZINC000769598774 680988542 /nfs/dbraw/zinc/98/85/42/680988542.db2.gz IQYLCNGESKKRHZ-UHFFFAOYSA-N 1 0 354.545 2.178 20 30 FEEDRO C[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCN1c1nc(C#N)c(Cl)s1 ZINC001050388214 681047009 /nfs/dbraw/zinc/04/70/09/681047009.db2.gz DXRKKSHUPXTRPD-PWSUYJOCSA-N 1 0 367.906 2.093 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCO[C@H](C[NH2+]Cc2csc(C)c2)C1 ZINC001051619470 681067917 /nfs/dbraw/zinc/06/79/17/681067917.db2.gz KZWCSFBHIDQYAF-KURKYZTESA-N 1 0 364.511 2.355 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1COC2(C[NH+](CCC(C)(C)C)C2)C1 ZINC001053955040 681105834 /nfs/dbraw/zinc/10/58/34/681105834.db2.gz XJXYJUDAVPYQPK-IKGGRYGDSA-N 1 0 350.503 2.363 20 30 FEEDRO C[NH+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1(C#N)CCCCC1 ZINC000845359369 681121007 /nfs/dbraw/zinc/12/10/07/681121007.db2.gz NRNXLXGUWAHLBG-CQSZACIVSA-N 1 0 352.479 2.174 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)Nc2ccc(Cl)c(CN(C)CCO)c2)CC1 ZINC000773312623 681135677 /nfs/dbraw/zinc/13/56/77/681135677.db2.gz CFEXUPKNIRVSBC-UHFFFAOYSA-N 1 0 363.889 2.048 20 30 FEEDRO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](Nc3ncc(C#N)cc3Cl)C2)CC[N@@H+]1C ZINC001059096580 681178730 /nfs/dbraw/zinc/17/87/30/681178730.db2.gz KZSKNNWYPQXKAB-OFQRWUPVSA-N 1 0 361.877 2.350 20 30 FEEDRO COc1c(Br)cccc1C=NNC(=S)NCCC[NH+](C)C ZINC000774385704 681182409 /nfs/dbraw/zinc/18/24/09/681182409.db2.gz QUNUJZPJKNBVGD-UHFFFAOYSA-N 1 0 373.320 2.207 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)c2nc(Br)c3ccccn32)CC1 ZINC000932140637 681183172 /nfs/dbraw/zinc/18/31/72/681183172.db2.gz DTDCUTOOXJVMTA-UHFFFAOYSA-N 1 0 363.259 2.477 20 30 FEEDRO CC(=NNCC(C)(C)S(C)(=O)=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000774481705 681193397 /nfs/dbraw/zinc/19/33/97/681193397.db2.gz DMTXZCUBTFRHDZ-KRWDZBQOSA-N 1 0 351.516 2.297 20 30 FEEDRO COc1ccc(-c2nc(C)c(C(=O)N[C@H]3C[NH2+]C[C@H]3C#N)s2)c(F)c1 ZINC000846678403 681275056 /nfs/dbraw/zinc/27/50/56/681275056.db2.gz SSDMNCXFSZYCIR-YGRLFVJLSA-N 1 0 360.414 2.108 20 30 FEEDRO COc1ccc([C@H](C[NH+](C)C)NC(=O)N[C@H](CC#N)C(F)(F)F)cc1 ZINC000932903146 681325667 /nfs/dbraw/zinc/32/56/67/681325667.db2.gz OXFVQSNDBZQSRR-UONOGXRCSA-N 1 0 358.364 2.442 20 30 FEEDRO OCC1(C[NH+]2C[C@@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)COC1 ZINC000932940006 681331564 /nfs/dbraw/zinc/33/15/64/681331564.db2.gz ADPOYSGREBCWGM-HTQZYQBOSA-N 1 0 369.252 2.098 20 30 FEEDRO O=C1C[C@H](C[NH+]2C[C@@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)CN1 ZINC000932943956 681332640 /nfs/dbraw/zinc/33/26/40/681332640.db2.gz LPUNJTJLMOSGHQ-XLPZGREQSA-N 1 0 366.252 2.225 20 30 FEEDRO CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000847544820 681393740 /nfs/dbraw/zinc/39/37/40/681393740.db2.gz BKNMWUVWWOQNTP-AWEZNQCLSA-N 1 0 352.479 2.174 20 30 FEEDRO C=C(C)CC[N@@H+]1CCC[C@H](N2CCN(C(=O)OC(C)(C)C)CC2=O)C1 ZINC000776838172 681439577 /nfs/dbraw/zinc/43/95/77/681439577.db2.gz YCXBPRPEJAQGOA-INIZCTEOSA-N 1 0 351.491 2.496 20 30 FEEDRO CCCCCC[C@@](O)(C[NH+]1CCC2(CC1)CC(=O)C=CO2)C(=O)OC ZINC000933645366 681445292 /nfs/dbraw/zinc/44/52/92/681445292.db2.gz MWWSPWIISFQJBN-LJQANCHMSA-N 1 0 353.459 2.199 20 30 FEEDRO C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+][C@@H](C)C1(C(=O)OCC)CCOCC1 ZINC000933882641 681478801 /nfs/dbraw/zinc/47/88/01/681478801.db2.gz AUOGTYGMBUABJJ-CVEARBPZSA-N 1 0 354.491 2.138 20 30 FEEDRO C#CC[N@H+]1CCC[C@H]1COC(=O)C[C@H](NC(=O)OC(C)(C)C)C1CC1 ZINC000777310395 681481435 /nfs/dbraw/zinc/48/14/35/681481435.db2.gz KHEMVIGJKHBUFD-HOTGVXAUSA-N 1 0 350.459 2.321 20 30 FEEDRO C=C(C)C[NH+]1CCC2(CC1)CN(C(=O)[C@H]1OCC[C@H]1C(C)C)CCO2 ZINC000949095258 681616837 /nfs/dbraw/zinc/61/68/37/681616837.db2.gz DNXOGPJDDVDVSZ-ROUUACIJSA-N 1 0 350.503 2.317 20 30 FEEDRO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CCCC[C@@H]([C@H]3CCOC3)C2)c1 ZINC000934833462 681645569 /nfs/dbraw/zinc/64/55/69/681645569.db2.gz KCMXBIZABFNVPK-MSOLQXFVSA-N 1 0 362.495 2.471 20 30 FEEDRO CC(C)CSCCNC1=[NH+]C[C@@H]2CN(C(=O)OC(C)(C)C)CCN12 ZINC000848993105 681647490 /nfs/dbraw/zinc/64/74/90/681647490.db2.gz WASFPNFRPWDOCM-CQSZACIVSA-N 1 0 356.536 2.256 20 30 FEEDRO C[NH+]=C(NCCCCn1cc(Br)cn1)NCc1ccco1 ZINC000849093376 681651785 /nfs/dbraw/zinc/65/17/85/681651785.db2.gz OFDSYZCFSHWZEH-UHFFFAOYSA-N 1 0 354.252 2.384 20 30 FEEDRO CC(C)[NH+]1CCC(N2CCN(C(=O)C3(C#N)CCSCC3)CC2)CC1 ZINC000934982933 681668891 /nfs/dbraw/zinc/66/88/91/681668891.db2.gz JTRPPCVKKQELLE-UHFFFAOYSA-N 1 0 364.559 2.040 20 30 FEEDRO CC[N@@H+]1CCC[C@@H]1CNC(=S)N1CCN(c2ccsc2C#N)CC1 ZINC000849274845 681675324 /nfs/dbraw/zinc/67/53/24/681675324.db2.gz ACEAYTZYQGQENV-CQSZACIVSA-N 1 0 363.556 2.101 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N(CC)C1C[NH+](CC[C@H]2CCCCO2)C1 ZINC000950353289 681684567 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COc1cc(NC(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)c(Cl)cc1Br ZINC000850766609 681958400 /nfs/dbraw/zinc/95/84/00/681958400.db2.gz OPGDYIKJCNAFJX-CPCISQLKSA-N 1 0 373.638 2.344 20 30 FEEDRO N#Cc1ccc(NC(=O)CC[NH+]2CCC3(CNC(=O)O3)CC2)cc1Cl ZINC000782000709 681996717 /nfs/dbraw/zinc/99/67/17/681996717.db2.gz VFEPRMUFGQHJMV-UHFFFAOYSA-N 1 0 362.817 2.115 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(Cc3csc(CC)n3)C[C@H]21 ZINC000959942993 682011845 /nfs/dbraw/zinc/01/18/45/682011845.db2.gz AVBPVAJHHZRMFA-LFRCEIEQSA-N 1 0 361.511 2.233 20 30 FEEDRO C=CCSCCNC(=O)N[C@@H]1C[C@@]2(C[N@@H+](CC)[C@@H]2C(C)C)C[C@H]1O ZINC000915205024 685513079 /nfs/dbraw/zinc/51/30/79/685513079.db2.gz LFKOWYMYVCNRJS-KONPQCLYSA-N 1 0 355.548 2.075 20 30 FEEDRO N#CCc1ccc(OC[C@H](O)C[NH2+]C[C@@H](O)c2cccc(Cl)c2)cc1 ZINC000915227677 685513379 /nfs/dbraw/zinc/51/33/79/685513379.db2.gz YCBJHTQXWPTOFT-IEBWSBKVSA-N 1 0 360.841 2.469 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1CC(C[NH2+]CC2CCOCC2)C1 ZINC000962400217 682117910 /nfs/dbraw/zinc/11/79/10/682117910.db2.gz FCCQMVKHGWYIKQ-BTRQGYIVSA-N 1 0 350.503 2.269 20 30 FEEDRO COc1ccccc1NC(=S)NN=Cc1ccc(N(C)CCO)cc1 ZINC000915924904 685519632 /nfs/dbraw/zinc/51/96/32/685519632.db2.gz GBNTZUUCDFIDTJ-UHFFFAOYSA-N 1 0 358.467 2.444 20 30 FEEDRO Cn1cc(C=NNC(=S)NCCC[NH+](C)C)c(C2CCCCC2)n1 ZINC000783842747 682181202 /nfs/dbraw/zinc/18/12/02/682181202.db2.gz PGEZLSWXHMRMSE-UHFFFAOYSA-N 1 0 350.536 2.218 20 30 FEEDRO C#CCOCC[NH+]1CCC([C@@H]2OCC[C@H]2NC(=O)OC(C)(C)C)CC1 ZINC000852135738 682226019 /nfs/dbraw/zinc/22/60/19/682226019.db2.gz BGVQYKXWAALRCW-SJORKVTESA-N 1 0 352.475 2.030 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N2CCn3c(cnc3C(F)(F)F)C2)CC1 ZINC000917142274 685530009 /nfs/dbraw/zinc/53/00/09/685530009.db2.gz XPHXNXLVIMAUCK-UHFFFAOYSA-N 1 0 357.380 2.078 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2cnc(Cl)s2)C1 ZINC000968716812 682242384 /nfs/dbraw/zinc/24/23/84/682242384.db2.gz KDLDILPUOBRHFL-BNOWGMLFSA-N 1 0 355.891 2.468 20 30 FEEDRO C[NH+]1C[C@]2(C)CN(S(=O)(=O)c3ccc(C(C)(C)C#N)cc3)C[C@@]2(C)C1 ZINC000918369215 685538854 /nfs/dbraw/zinc/53/88/54/685538854.db2.gz QWBUXLUAFZJECC-RTBURBONSA-N 1 0 361.511 2.450 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H](C)C1C[NH+](CCC2CCOCC2)C1 ZINC000970572426 682307845 /nfs/dbraw/zinc/30/78/45/682307845.db2.gz VBGRUVOUYBBDDF-MNEFBYGVSA-N 1 0 350.503 2.221 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@]2(C1)C[N@H+](CCCC)CCO2 ZINC000972593501 682425108 /nfs/dbraw/zinc/42/51/08/682425108.db2.gz MYFJEOVFLWSKGW-CMKODMSKSA-N 1 0 350.503 2.461 20 30 FEEDRO C[NH+](C)CCNC(=S)Nc1ccc2c(c1)CCC(=O)N2CCCC#N ZINC000787196744 682440323 /nfs/dbraw/zinc/44/03/23/682440323.db2.gz JNIYZEZNYJARJZ-UHFFFAOYSA-N 1 0 359.499 2.118 20 30 FEEDRO C=CCNc1nc(C(=O)OCCCN2CC[NH+](C(C)C)CC2)cs1 ZINC000787584822 682466447 /nfs/dbraw/zinc/46/64/47/682466447.db2.gz LHGKPQHCSZTWDW-UHFFFAOYSA-N 1 0 352.504 2.314 20 30 FEEDRO COC(=O)CC[NH+]1CCC(=NNC(=S)Nc2ccccc2F)CC1 ZINC000788698376 682551758 /nfs/dbraw/zinc/55/17/58/682551758.db2.gz CKTMBXOZTZFEHS-UHFFFAOYSA-N 1 0 352.435 2.127 20 30 FEEDRO COC(=O)CC[NH+]1CCC(=NNC(=S)N[C@@H]2CCC[C@@H](C)[C@H]2C)CC1 ZINC000788705412 682552333 /nfs/dbraw/zinc/55/23/33/682552333.db2.gz VWZVNLAYPLGOPF-IIAWOOMASA-N 1 0 368.547 2.290 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)Nc2nc(-c3ncc(Cl)n3C)cs2)CC1 ZINC000855331880 682657803 /nfs/dbraw/zinc/65/78/03/682657803.db2.gz JPRRNHBJTNMVPT-UHFFFAOYSA-N 1 0 363.874 2.481 20 30 FEEDRO C=C(C[NH+](C)C)C(=O)N1CCOC[C@@H]1c1cccc(Br)c1 ZINC000855845483 682718173 /nfs/dbraw/zinc/71/81/73/682718173.db2.gz VNLAQCRSEGIABH-OAHLLOKOSA-N 1 0 353.260 2.467 20 30 FEEDRO CC[NH+](CC)CC#C[C@H](C)OC(=O)[C@H]1CCS(=O)(=O)c2ccccc21 ZINC000793179846 682870000 /nfs/dbraw/zinc/87/00/00/682870000.db2.gz MULWCTJBNWOMBG-RDJZCZTQSA-N 1 0 363.479 2.225 20 30 FEEDRO Cc1nc(SC(F)F)sc1CC(=O)NC1(C#N)CC[NH+](C)CC1 ZINC000793448802 682890021 /nfs/dbraw/zinc/89/00/21/682890021.db2.gz GVHWRQNEYJYBBQ-UHFFFAOYSA-N 1 0 360.455 2.413 20 30 FEEDRO C[NH+](C)CCCNC(=S)N1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000795137963 683022112 /nfs/dbraw/zinc/02/21/12/683022112.db2.gz FFBULHVAXZDQPY-UHFFFAOYSA-N 1 0 364.490 2.367 20 30 FEEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000926288404 683104540 /nfs/dbraw/zinc/10/45/40/683104540.db2.gz UZQSVBCUADMZKW-CHWSQXEVSA-N 1 0 369.918 2.359 20 30 FEEDRO N#CCSCCC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(F)(F)F ZINC000860050516 683194994 /nfs/dbraw/zinc/19/49/94/683194994.db2.gz XADHWWDKYZPUBD-CRWXNKLISA-N 1 0 361.433 2.364 20 30 FEEDRO C[C@H]([NH2+]CCNc1ccc(C#N)cn1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000927166262 683213586 /nfs/dbraw/zinc/21/35/86/683213586.db2.gz UXSBRDULMIDQQD-LBPRGKRZSA-N 1 0 362.430 2.259 20 30 FEEDRO CCCCCCCS(=O)(=O)N[C@@H]1C[C@@]2(C[N@H+](C)[C@H]2C(C)C)C[C@H]1O ZINC000920274159 683328306 /nfs/dbraw/zinc/32/83/06/683328306.db2.gz MMXZJJLTAMFUSO-BDXSIMOUSA-N 1 0 360.564 2.356 20 30 FEEDRO C#CCN(C(=O)N[C@@H]1CCOC2(CCSCC2)C1)C1CC[NH+](C)CC1 ZINC000921555212 683500338 /nfs/dbraw/zinc/50/03/38/683500338.db2.gz DETWBDDTTUBNFU-MRXNPFEDSA-N 1 0 365.543 2.170 20 30 FEEDRO N#Cc1cc(C[NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)cs1 ZINC000921737145 683561458 /nfs/dbraw/zinc/56/14/58/683561458.db2.gz CACGDVZVFOVFQY-UHFFFAOYSA-N 1 0 361.492 2.144 20 30 FEEDRO C=CC1CC[NH+](C[C@H]2CC3(CN(C(=O)OC(C)(C)C)C3)C(=O)O2)CC1 ZINC000929617409 683617652 /nfs/dbraw/zinc/61/76/52/683617652.db2.gz ICITWKBRQUCQJN-OAHLLOKOSA-N 1 0 350.459 2.437 20 30 FEEDRO C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)[C@H]1C[C@H]1c1cccc(F)c1 ZINC000922023602 683639276 /nfs/dbraw/zinc/63/92/76/683639276.db2.gz WWMFBLSGOQWNLH-ROUUACIJSA-N 1 0 350.459 2.041 20 30 FEEDRO C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)Cc1ccc(F)cc1Cl ZINC000922024121 683639715 /nfs/dbraw/zinc/63/97/15/683639715.db2.gz GXJDOZHPPQINEZ-UHFFFAOYSA-N 1 0 358.866 2.338 20 30 FEEDRO N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000922242662 683686486 /nfs/dbraw/zinc/68/64/86/683686486.db2.gz MPYQTWDVIOGFQH-OKZBNKHCSA-N 1 0 356.495 2.425 20 30 FEEDRO Cc1ccc(Br)c(C(=O)N(CCC#N)CCC[NH+](C)C)n1 ZINC000930703101 683773301 /nfs/dbraw/zinc/77/33/01/683773301.db2.gz LONRVSMQFKPSRM-UHFFFAOYSA-N 1 0 353.264 2.460 20 30 FEEDRO C#CCOc1ccc(Br)cc1C[NH2+]CC[C@H]1CNC(=O)C1 ZINC000922783903 683782383 /nfs/dbraw/zinc/78/23/83/683782383.db2.gz DTLPFVGDVOTRIC-GFCCVEGCSA-N 1 0 351.244 2.077 20 30 FEEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H](O)CC1(O)CCC(C(=O)OCC)CC1 ZINC000931063808 683825820 /nfs/dbraw/zinc/82/58/20/683825820.db2.gz VLTHMEUNMZRQMM-VVJOJPPRSA-N 1 0 351.487 2.405 20 30 FEEDRO C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1CC[N@@H+](CC)C1 ZINC000864961549 683914719 /nfs/dbraw/zinc/91/47/19/683914719.db2.gz BQPCBTGMWHFKDK-UONOGXRCSA-N 1 0 359.898 2.480 20 30 FEEDRO C=CCNC(=O)C[NH2+]Cc1cc2c(s1)CCN(C(=O)OC(C)(C)C)C2 ZINC000865521708 683992917 /nfs/dbraw/zinc/99/29/17/683992917.db2.gz FFBORLQRVOJZTH-UHFFFAOYSA-N 1 0 365.499 2.433 20 30 FEEDRO C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000865859280 684037883 /nfs/dbraw/zinc/03/78/83/684037883.db2.gz SYQGYNYASOCXNS-UONOGXRCSA-N 1 0 359.898 2.432 20 30 FEEDRO N#CCc1ccsc1C(=O)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000866215829 684083624 /nfs/dbraw/zinc/08/36/24/684083624.db2.gz LXJVXYRDQRGVFQ-LJQANCHMSA-N 1 0 355.463 2.181 20 30 FEEDRO N#Cc1cc(F)cc(S(=O)(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000866823270 684161396 /nfs/dbraw/zinc/16/13/96/684161396.db2.gz KKCWSOPNPQVELM-MRXNPFEDSA-N 1 0 351.447 2.336 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)cc1C(F)(F)F ZINC000866826971 684162356 /nfs/dbraw/zinc/16/23/56/684162356.db2.gz GAYYEDWKVYOPHA-ZIAGYGMSSA-N 1 0 359.373 2.092 20 30 FEEDRO C[NH+](C)C1(CS(=O)(=O)Oc2ccc(Br)cc2C#N)CC1 ZINC000866958061 684186885 /nfs/dbraw/zinc/18/68/85/684186885.db2.gz SZWVFFJFWREROL-UHFFFAOYSA-N 1 0 359.245 2.124 20 30 FEEDRO C[NH+]1CCC([C@H]2CCN(S(=O)(=O)c3cc(F)cc(C#N)c3)C2)CC1 ZINC000867011993 684195801 /nfs/dbraw/zinc/19/58/01/684195801.db2.gz HTAITMPIWZFGCP-HNNXBMFYSA-N 1 0 351.447 2.050 20 30 FEEDRO C=CCCSCCNC(=O)N[C@@H]1C[C@]2(C[N@@H+](CC)[C@H]2C(C)C)C[C@H]1O ZINC000923226571 684244984 /nfs/dbraw/zinc/24/49/84/684244984.db2.gz CCALGIDRYDPJKX-VXIBKDFQSA-N 1 0 369.575 2.465 20 30 FEEDRO N#C[C@]1(C(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)CCCOC1 ZINC000867941357 684430045 /nfs/dbraw/zinc/43/00/45/684430045.db2.gz VEPSNJMIPSZILM-ZBCRRDGASA-N 1 0 359.392 2.228 20 30 FEEDRO Cn1cc(CN(CCn2ccnc2)C(=O)c2sccc2CC#N)cn1 ZINC000868136745 684456322 /nfs/dbraw/zinc/45/63/22/684456322.db2.gz QJABEAGIQVQSQG-UHFFFAOYSA-N 1 0 354.439 2.087 20 30 FEEDRO N#Cc1cccc([C@H](NC(=O)N[C@H](C[NH3+])C(F)(F)F)C(F)(F)F)c1 ZINC000868169524 684460690 /nfs/dbraw/zinc/46/06/90/684460690.db2.gz YLZBWUMENWUOTG-ZJUUUORDSA-N 1 0 354.254 2.350 20 30 FEEDRO CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)C(=O)Nc2ccc(C#N)cc2Cl)C1 ZINC000868312298 684479295 /nfs/dbraw/zinc/47/92/95/684479295.db2.gz OPNPEANPDFHADH-GOSISDBHSA-N 1 0 362.861 2.374 20 30 FEEDRO C[NH+](C)CCCOc1cnccc1CNC(=O)c1sccc1CC#N ZINC000868393749 684489870 /nfs/dbraw/zinc/48/98/70/684489870.db2.gz LTFWFAKPROKCAB-UHFFFAOYSA-N 1 0 358.467 2.470 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N[C@@H](CO)c2cccc(C(F)(F)F)c2)CC1 ZINC000869705453 684645427 /nfs/dbraw/zinc/64/54/27/684645427.db2.gz FMNMJUCTCAPTNN-INIZCTEOSA-N 1 0 354.372 2.200 20 30 FEEDRO Cn1ncc(Br)c1CON=C(N)c1ccc(C[NH+](C)C)cc1 ZINC000871734406 684850029 /nfs/dbraw/zinc/85/00/29/684850029.db2.gz FOHJWHKRNHDSAV-UHFFFAOYSA-N 1 0 366.263 2.081 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N[C@@]23CCC[C@@H]2[NH2+]CC3)cc1C(F)(F)F ZINC000871817508 684862625 /nfs/dbraw/zinc/86/26/25/684862625.db2.gz RUELECCRCPVIFS-UONOGXRCSA-N 1 0 359.373 2.140 20 30 FEEDRO Cc1cccc(C#N)c1S(=O)(=O)N1CCCN(c2cc[nH+]cc2)CC1 ZINC000872511211 684969171 /nfs/dbraw/zinc/96/91/71/684969171.db2.gz NUXZZHLUFDRRBM-UHFFFAOYSA-N 1 0 356.451 2.163 20 30 FEEDRO C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccccc1C(F)(F)CC ZINC000873896102 685241815 /nfs/dbraw/zinc/24/18/15/685241815.db2.gz NUFHSDMLZXGMGE-UHFFFAOYSA-N 1 0 351.397 2.198 20 30 FEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000876577456 686222830 /nfs/dbraw/zinc/22/28/30/686222830.db2.gz ZNFIBXYMOJEYBZ-CQSZACIVSA-N 1 0 356.253 2.094 20 30 FEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC(NC(=O)Nc2ccc(F)cc2)CC1 ZINC000876603924 686227277 /nfs/dbraw/zinc/22/72/77/686227277.db2.gz FDHYOFTXZXAOTQ-OAHLLOKOSA-N 1 0 368.840 2.408 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC(C(=O)N2CCc3ccccc32)CC1 ZINC000876623302 686230326 /nfs/dbraw/zinc/23/03/26/686230326.db2.gz GLPFRKNPGSMHOO-INIZCTEOSA-N 1 0 361.873 2.284 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H](CCC)C(=O)N1CCc2sccc2C1 ZINC000876638001 686234552 /nfs/dbraw/zinc/23/45/52/686234552.db2.gz ZAEKQBUFGLDUOH-KBPBESRZSA-N 1 0 369.918 2.388 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H](c1cccc(Cl)c1)N1CCOCC1 ZINC000876751567 686260835 /nfs/dbraw/zinc/26/08/35/686260835.db2.gz ROPXOBVXUUWAMZ-JKSUJKDBSA-N 1 0 372.296 2.299 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H](c1cccc(Cl)c1)N1CCOCC1 ZINC000876751565 686261045 /nfs/dbraw/zinc/26/10/45/686261045.db2.gz ROPXOBVXUUWAMZ-HOTGVXAUSA-N 1 0 372.296 2.299 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC(Cc2nc([C@@H]3C[C@@H]3C)no2)CC1 ZINC000876945828 686299117 /nfs/dbraw/zinc/29/91/17/686299117.db2.gz JXWBYJMNXQXSGT-GDLCADMTSA-N 1 0 352.866 2.444 20 30 FEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC(C)(c2nnc(-c3cccc(F)c3)o2)C1 ZINC000876983720 686304921 /nfs/dbraw/zinc/30/49/21/686304921.db2.gz UIQBTLKHUNSRHG-CYBMUJFWSA-N 1 0 364.808 2.446 20 30 FEEDRO CS(=O)(=O)c1ccc(OCC[NH2+]Cc2cc(C#N)cnc2Cl)cc1 ZINC000877009637 686308954 /nfs/dbraw/zinc/30/89/54/686308954.db2.gz UQTFCHULWSMHOK-UHFFFAOYSA-N 1 0 365.842 2.179 20 30 FEEDRO COc1ccc(C[C@H](CO)C[NH2+]Cc2cc(C#N)cnc2Cl)cc1O ZINC000877527474 686402320 /nfs/dbraw/zinc/40/23/20/686402320.db2.gz OCEXRMGMJAHXKM-AWEZNQCLSA-N 1 0 361.829 2.262 20 30 FEEDRO C=CC[C@H](C(=O)OC)[N@@H+]1CCC[C@H](C(=O)N(CC)CC(F)(F)F)C1 ZINC000878136485 686527970 /nfs/dbraw/zinc/52/79/70/686527970.db2.gz AEXSYLQJBWWZGM-QWHCGFSZSA-N 1 0 350.381 2.227 20 30 FEEDRO C#CCC1(O)CC[NH+](CC(=O)N(C)[C@H](C)c2ccc(F)c(F)c2)CC1 ZINC000880480630 687052549 /nfs/dbraw/zinc/05/25/49/687052549.db2.gz ZFZVAHBWGKKYFZ-CQSZACIVSA-N 1 0 350.409 2.334 20 30 FEEDRO N#Cc1cc(NC(=O)NCCCC[N@H+]2CCC[C@H]2CO)c(F)cc1F ZINC000880716032 687077900 /nfs/dbraw/zinc/07/79/00/687077900.db2.gz MKINXEXLJTUHGI-ZDUSSCGKSA-N 1 0 352.385 2.195 20 30 FEEDRO C=CCCc1ccc(S(=O)(=O)N2CCC([N@H+](C)CCCO)CC2)cc1 ZINC000881924420 687261928 /nfs/dbraw/zinc/26/19/28/687261928.db2.gz MFNAERGPXCLFIK-UHFFFAOYSA-N 1 0 366.527 2.273 20 30 FEEDRO CN(CC[NH+]1CC2(C1)CCOCC2)c1cc(C#N)c(Br)cn1 ZINC000882706303 687447870 /nfs/dbraw/zinc/44/78/70/687447870.db2.gz WICBVDKBOCHDHZ-UHFFFAOYSA-N 1 0 365.275 2.264 20 30 FEEDRO CC[C@@H]1CN(C)CCN1C(=O)Nc1ccc(Br)c(C#N)n1 ZINC000883111149 687567358 /nfs/dbraw/zinc/56/73/58/687567358.db2.gz VFRCINAAMSCWIC-SNVBAGLBSA-N 1 0 352.236 2.274 20 30 FEEDRO CCC[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(Br)c(C#N)n2)C1 ZINC000883116797 687569561 /nfs/dbraw/zinc/56/95/61/687569561.db2.gz GGFOWUQEBLLHFY-SNVBAGLBSA-N 1 0 352.236 2.322 20 30 FEEDRO C=CCC[C@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCO1 ZINC000883215788 687588723 /nfs/dbraw/zinc/58/87/23/687588723.db2.gz GCHWEBUPAAYMTG-IRXDYDNUSA-N 1 0 368.455 2.472 20 30 FEEDRO C=C(C)C[C@@H](CO)NC(=O)NCC1([NH+]2CCC(OC)CC2)CCCC1 ZINC000883349556 687612358 /nfs/dbraw/zinc/61/23/58/687612358.db2.gz FWNFQUQZXIWPCD-INIZCTEOSA-N 1 0 353.507 2.036 20 30 FEEDRO C=CCCc1ccc(S(=O)(=O)N2CCC([NH2+]CCOC)CC2)cc1 ZINC000883468298 687637783 /nfs/dbraw/zinc/63/77/83/687637783.db2.gz NTLUTCYHAUSINN-UHFFFAOYSA-N 1 0 352.500 2.194 20 30 FEEDRO CN(C)[C@H](CNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)c1ccccc1Cl ZINC000884179168 687809274 /nfs/dbraw/zinc/80/92/74/687809274.db2.gz HCLJFTZKYMRQNU-BOLVRDICSA-N 1 0 360.889 2.198 20 30 FEEDRO C#CCN(C(=O)C(=O)c1ccc(Br)s1)C1CC[NH+](C)CC1 ZINC000886574407 688278184 /nfs/dbraw/zinc/27/81/84/688278184.db2.gz DXEZRIBZLYFGGQ-UHFFFAOYSA-N 1 0 369.284 2.249 20 30 FEEDRO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](Cc2nc(C)cs2)C1 ZINC000886696350 688291843 /nfs/dbraw/zinc/29/18/43/688291843.db2.gz MPMPDOKHZBLOIK-ZIAGYGMSSA-N 1 0 350.488 2.106 20 30 FEEDRO C=CC[C@H](CO)C[NH2+][C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C12CCOCC2 ZINC000893283650 689326114 /nfs/dbraw/zinc/32/61/14/689326114.db2.gz NEEVTUFBJWENMB-ARFHVFGLSA-N 1 0 354.491 2.223 20 30 FEEDRO COC(=O)[C@H]1[C@H](C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)C1(F)F ZINC000894004042 689447559 /nfs/dbraw/zinc/44/75/59/689447559.db2.gz WGZYGTFUMUEXKS-JKSUJKDBSA-N 1 0 350.365 2.456 20 30 FEEDRO COC(=O)[C@H]1[C@@H](C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)C1(F)F ZINC000894004041 689447665 /nfs/dbraw/zinc/44/76/65/689447665.db2.gz WGZYGTFUMUEXKS-HZPDHXFCSA-N 1 0 350.365 2.456 20 30 FEEDRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@H]1CCCN(O)C1=O ZINC000895162755 689669606 /nfs/dbraw/zinc/66/96/06/689669606.db2.gz NLXNLGUSLVZSGW-MFKMUULPSA-N 1 0 370.247 2.136 20 30 FEEDRO C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2C[N@H+](C)CC[C@@H]2C1 ZINC000898169179 690137989 /nfs/dbraw/zinc/13/79/89/690137989.db2.gz VETJNLWHUOGKRM-QLFBSQMISA-N 1 0 371.909 2.432 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)N[C@@H](CCC)C(=O)N1CCc2sccc2C1 ZINC000900518088 690527020 /nfs/dbraw/zinc/52/70/20/690527020.db2.gz ASMMEKSTSFAWPK-INIZCTEOSA-N 1 0 363.527 2.426 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)N1CCN(C(=O)c2c(F)cccc2Cl)CC1 ZINC000900551849 690531452 /nfs/dbraw/zinc/53/14/52/690531452.db2.gz AZHXAYFYRPNAJR-UHFFFAOYSA-N 1 0 367.852 2.271 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)N1CCC(n2cc(Br)cn2)CC1 ZINC000900646004 690542821 /nfs/dbraw/zinc/54/28/21/690542821.db2.gz ZDKDZHPZXJLGOO-UHFFFAOYSA-N 1 0 355.280 2.317 20 30 FEEDRO C[N@@H+]1CCC[C@](O)(CC(=O)NCC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000900941575 690591398 /nfs/dbraw/zinc/59/13/98/690591398.db2.gz JMLISZOXLIEYFP-KRWDZBQOSA-N 1 0 354.372 2.020 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)Nc1cc(I)ccc1O ZINC000901224330 690627319 /nfs/dbraw/zinc/62/73/19/690627319.db2.gz CBLGPAINIYHASQ-UHFFFAOYSA-N 1 0 360.195 2.443 20 30 FEEDRO COc1ccccc1N=C1SCCN1C(=O)COC1CC[NH+](C)CC1 ZINC000901257872 690630363 /nfs/dbraw/zinc/63/03/63/690630363.db2.gz DOYUMQMUKHATDK-UHFFFAOYSA-N 1 0 363.483 2.369 20 30 FEEDRO CC[C@H]([NH2+]CCS(=O)(=O)NC[C@H]1CCCCO1)c1cccc(C#N)c1 ZINC000902863388 690814558 /nfs/dbraw/zinc/81/45/58/690814558.db2.gz YPTNVFCFGXETTF-MSOLQXFVSA-N 1 0 365.499 2.087 20 30 FEEDRO C[C@@H]([NH2+]CC1(S(=O)(=O)NC(C)(C)C)CCC1)c1cc(C#N)ccn1 ZINC000903188233 690862956 /nfs/dbraw/zinc/86/29/56/690862956.db2.gz BTACSSFWHDASOX-CYBMUJFWSA-N 1 0 350.488 2.244 20 30 FEEDRO C=C(C)C[C@H](CO)[NH2+][C@H]1C[C@@H](NC(=O)OC(C)(C)C)C12CCOCC2 ZINC000903222212 690868460 /nfs/dbraw/zinc/86/84/60/690868460.db2.gz YLNDVAQUJDEWJW-OWCLPIDISA-N 1 0 354.491 2.366 20 30 FEEDRO C=C(C)C[C@H](CO)[NH2+][C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C12CCOCC2 ZINC000903222210 690868470 /nfs/dbraw/zinc/86/84/70/690868470.db2.gz YLNDVAQUJDEWJW-BZUAXINKSA-N 1 0 354.491 2.366 20 30 FEEDRO Cc1cc(C#N)cc(C)c1CS(=O)(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000903522218 690910162 /nfs/dbraw/zinc/91/01/62/690910162.db2.gz QAGDITLTJAQHOP-MSOLQXFVSA-N 1 0 361.511 2.326 20 30 FEEDRO O=C(NCC[NH2+]C[C@@H](O)c1ccc(Cl)c(Cl)c1)C1N=CC=CC1=O ZINC000905103185 691068536 /nfs/dbraw/zinc/06/85/36/691068536.db2.gz JTKMUJCRTQEJMI-PQDJCJPTSA-N 1 0 370.236 2.143 20 30 FEEDRO C[C@](O)(C[NH2+]C[C@H](O)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F ZINC000905447560 691119903 /nfs/dbraw/zinc/11/99/03/691119903.db2.gz SLLQTBXAAYXHDF-WHFBIAKZSA-N 1 0 355.172 2.083 20 30 FEEDRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncc(C)cc1C=NO)C2 ZINC001164818806 720151317 /nfs/dbraw/zinc/15/13/17/720151317.db2.gz UTNFGDJQVOMPGJ-UYAOXDASSA-N 1 0 358.486 2.383 20 30 FEEDRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2ncc(F)cc2C#N)CC1 ZINC001164821594 720302069 /nfs/dbraw/zinc/30/20/69/720302069.db2.gz KYGCHWGEUYGPHA-QZTJIDSGSA-N 1 0 371.460 2.004 20 30 FEEDRO C=CCNC(=O)c1cccnc1N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164732054 720435273 /nfs/dbraw/zinc/43/52/73/720435273.db2.gz MWZSBYKIXZFSPI-RBUKOAKNSA-N 1 0 363.465 2.246 20 30 FEEDRO CC(C)[N@H+]1[C@@H]2CCN(c3cncc(CC#N)n3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164843581 720584891 /nfs/dbraw/zinc/58/48/91/720584891.db2.gz YIFXNDLXWFAPBY-NZSAHSFTSA-N 1 0 365.485 2.117 20 30 FEEDRO CC(C)c1ccc(C#N)c(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164742261 720631463 /nfs/dbraw/zinc/63/14/63/720631463.db2.gz MJSRXIBFVYPXMV-DLBZAZTESA-N 1 0 364.453 2.209 20 30 FEEDRO COCC[N@@H+]1CCO[C@H]2CN(c3nccc4ccc(C#N)cc43)CC[C@H]2C1 ZINC001164850138 720849418 /nfs/dbraw/zinc/84/94/18/720849418.db2.gz DMNDERRXXJBIEQ-ICSRJNTNSA-N 1 0 366.465 2.280 20 30 FEEDRO Cc1ccc(N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)nc1C#N ZINC001164883565 721407661 /nfs/dbraw/zinc/40/76/61/721407661.db2.gz AWIJFFUCFUJLJQ-RXVVDRJESA-N 1 0 369.513 2.027 20 30 FEEDRO Cc1nc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)cnc1C#N ZINC001164912383 721548492 /nfs/dbraw/zinc/54/84/92/721548492.db2.gz ZJXHWTNLUGLBPD-WBVHZDCISA-N 1 0 353.401 2.138 20 30 FEEDRO N#CCc1ccnc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164978005 722131535 /nfs/dbraw/zinc/13/15/35/722131535.db2.gz JDCCMRNTNVGVQO-UXHICEINSA-N 1 0 363.465 2.270 20 30 FEEDRO N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)NC2(C[NH3+])CCOCC2)n1 ZINC000528686766 829519708 /nfs/dbraw/zinc/51/97/08/829519708.db2.gz MVQXNNZISDAHOD-UHFFFAOYSA-N 1 0 374.832 2.027 20 30 FEEDRO Cc1cc(Cl)c2c(c1)c(=O)c(C#N)cn2CCCN1CC[NH+](C)CC1 ZINC000549197176 674023737 /nfs/dbraw/zinc/02/37/37/674023737.db2.gz PFFIKZPKRFCEEJ-UHFFFAOYSA-N 1 0 358.873 2.473 20 30 FEEDRO N#CCSc1ccccc1C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000800650174 674067702 /nfs/dbraw/zinc/06/77/02/674067702.db2.gz HENSHDPRWCIVLU-INIZCTEOSA-N 1 0 359.495 2.487 20 30 FEEDRO CN(C)c1cc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)ccn1 ZINC000048238882 540353019 /nfs/dbraw/zinc/35/30/19/540353019.db2.gz OASSHADZVZDZJF-UHFFFAOYSA-N 1 0 351.454 2.223 20 30 FEEDRO C=CCN(CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1)Cc1cccs1 ZINC000050274458 540403599 /nfs/dbraw/zinc/40/35/99/540403599.db2.gz JHAQHLULLADGDL-KRWDZBQOSA-N 1 0 365.543 2.209 20 30 FEEDRO CN(C(=O)C[N@@H+]1CCC[C@@H](C(=O)N2CCCCC2)C1)C1(C#N)CCCCC1 ZINC000051557015 540437802 /nfs/dbraw/zinc/43/78/02/540437802.db2.gz VLWIXACLAVLZDY-GOSISDBHSA-N 1 0 374.529 2.396 20 30 FEEDRO C[C@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)[N@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000535545027 540481722 /nfs/dbraw/zinc/48/17/22/540481722.db2.gz CAASBYZJQGKMRY-CTASWTNQSA-N 1 0 360.506 2.057 20 30 FEEDRO C=CCNC(=O)[C@H](C)[NH+]1CCC(C(=O)Nc2cc(Cl)ccc2O)CC1 ZINC000053019792 540505962 /nfs/dbraw/zinc/50/59/62/540505962.db2.gz GWGYCWUQIHKUKS-LBPRGKRZSA-N 1 0 365.861 2.387 20 30 FEEDRO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCC[C@H](C2OCCO2)C1 ZINC000076294531 542256626 /nfs/dbraw/zinc/25/66/26/542256626.db2.gz LYJGNKQLCDXLQQ-SJORKVTESA-N 1 0 357.454 2.407 20 30 FEEDRO COCC[NH+](CCOC)CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000054427579 540589514 /nfs/dbraw/zinc/58/95/14/540589514.db2.gz HHIDDLUXOWKSRV-UHFFFAOYSA-N 1 0 351.472 2.032 20 30 FEEDRO CC[N@H+](CCNC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)C(C)C ZINC000076300556 542257810 /nfs/dbraw/zinc/25/78/10/542257810.db2.gz IZIPTRVYPHTRRY-UHFFFAOYSA-N 1 0 370.375 2.362 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)Nc2cccc(-c3nc(C)cc(=O)[nH]3)c2)CC1 ZINC000057172567 540776118 /nfs/dbraw/zinc/77/61/18/540776118.db2.gz ITMJQTNBYNIGLJ-UHFFFAOYSA-N 1 0 350.422 2.029 20 30 FEEDRO Cc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000057675983 540807172 /nfs/dbraw/zinc/80/71/72/540807172.db2.gz NDVMFVKFZJERKH-VBKZILBWSA-N 1 0 356.470 2.432 20 30 FEEDRO COC(=O)C1CCN(C(=O)C[N@H+](Cc2ccc(C#N)cc2)C(C)C)CC1 ZINC000060208216 540869626 /nfs/dbraw/zinc/86/96/26/540869626.db2.gz ZQJKHTPKJUPGIH-UHFFFAOYSA-N 1 0 357.454 2.180 20 30 FEEDRO C[N@@H+](Cc1ccc2c(c1)OCCO2)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000060943283 541123828 /nfs/dbraw/zinc/12/38/28/541123828.db2.gz CIAOTAWNOMDHLA-GOSISDBHSA-N 1 0 368.433 2.396 20 30 FEEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000063724833 541181394 /nfs/dbraw/zinc/18/13/94/541181394.db2.gz JJGYHHBMOJHUIT-UHFFFAOYSA-N 1 0 358.486 2.129 20 30 FEEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cccc(NC(N)=O)c1 ZINC000065931059 541273346 /nfs/dbraw/zinc/27/33/46/541273346.db2.gz QVUMLJXGCGFMTR-UHFFFAOYSA-N 1 0 365.437 2.253 20 30 FEEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)NC1CC[NH+](C)CC1 ZINC000066982360 541403294 /nfs/dbraw/zinc/40/32/94/541403294.db2.gz DSTOZEKDAJLWQE-ZDUSSCGKSA-N 1 0 360.483 2.230 20 30 FEEDRO C[C@@H]1CN(C2CC[NH+](CCC(=O)Nc3ccccc3C#N)CC2)CCO1 ZINC000067400140 541458217 /nfs/dbraw/zinc/45/82/17/541458217.db2.gz CTQUXSYFDLPUOT-MRXNPFEDSA-N 1 0 356.470 2.072 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N2CCC(C(=O)NC3CCCCC3)CC2)CC1 ZINC000068279748 541571417 /nfs/dbraw/zinc/57/14/17/541571417.db2.gz KINJDGGWXOPPEY-UHFFFAOYSA-N 1 0 359.514 2.019 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N[C@H](C)c2cccc(N3CCCC3=O)c2)CC1 ZINC000068714473 541621940 /nfs/dbraw/zinc/62/19/40/541621940.db2.gz SGAGXWYXILPCOO-MRXNPFEDSA-N 1 0 353.466 2.336 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N[C@@H](C)c2cccc(N3CCOC3=O)c2)CC1 ZINC000068713839 541622118 /nfs/dbraw/zinc/62/21/18/541622118.db2.gz CCOUGFGZXDXNIU-HNNXBMFYSA-N 1 0 355.438 2.166 20 30 FEEDRO CC[N@H+](CCNC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1)C1CC1 ZINC000069111077 541658361 /nfs/dbraw/zinc/65/83/61/541658361.db2.gz GQTNBJYNTHZHFU-MRXNPFEDSA-N 1 0 373.476 2.450 20 30 FEEDRO C[C@H](CNC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1)[N@H+](C)C1CC1 ZINC000069440502 541686976 /nfs/dbraw/zinc/68/69/76/541686976.db2.gz RCKACKRYFWHKCI-ZBFHGGJFSA-N 1 0 373.476 2.448 20 30 FEEDRO C=CC[N@@H+](CC(=O)Nc1ccc(S(N)(=O)=O)cc1)CC1CCCCC1 ZINC000069859912 541719804 /nfs/dbraw/zinc/71/98/04/541719804.db2.gz NNKVAYZYLZUHGC-UHFFFAOYSA-N 1 0 365.499 2.341 20 30 FEEDRO C[C@@H]1[C@H](C)N(C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CC[N@H+]1C ZINC000544637451 541798559 /nfs/dbraw/zinc/79/85/59/541798559.db2.gz GWWWIOGILMNMOS-OLZOCXBDSA-N 1 0 356.405 2.439 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)[C@H]2CCCN(C(=O)NC3CCCC3)C2)CC1 ZINC000073436515 541953720 /nfs/dbraw/zinc/95/37/20/541953720.db2.gz DSQPMHCWWZPETP-INIZCTEOSA-N 1 0 362.518 2.117 20 30 FEEDRO CCN1CC[NH+](C[C@H](C)CNC(=O)N[C@H](C)c2cccc(C#N)c2)CC1 ZINC000074659208 542109854 /nfs/dbraw/zinc/10/98/54/542109854.db2.gz NPMPQPUKMBJPRA-IAGOWNOFSA-N 1 0 357.502 2.192 20 30 FEEDRO CC[NH+](CC)CCOC1CCN(S(=O)(=O)c2cccc(C#N)c2)CC1 ZINC000074974406 542142948 /nfs/dbraw/zinc/14/29/48/542142948.db2.gz YFPSNGPNSDELGT-UHFFFAOYSA-N 1 0 365.499 2.070 20 30 FEEDRO CC[NH+]1CCN(CCC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)CC1 ZINC000075536203 542186050 /nfs/dbraw/zinc/18/60/50/542186050.db2.gz AJARLTZONXQSRU-VQTJNVASSA-N 1 0 354.498 2.312 20 30 FEEDRO CC(=O)NCC1CC[NH+]([C@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)CC1 ZINC000076997402 542340344 /nfs/dbraw/zinc/34/03/44/542340344.db2.gz WFXOFWVQVGSNPZ-QGZVFWFLSA-N 1 0 370.497 2.478 20 30 FEEDRO C[C@@H](Oc1ccc(Br)cc1)C(=O)NC1(C#N)CC[NH+](C)CC1 ZINC000077037679 542343216 /nfs/dbraw/zinc/34/32/16/542343216.db2.gz JHQBXDKFZOGHJV-GFCCVEGCSA-N 1 0 366.259 2.321 20 30 FEEDRO COc1cc(C#N)ccc1OCC[N@@H+]1CCC[C@H](CNC(=O)C(C)C)C1 ZINC000077276595 542360937 /nfs/dbraw/zinc/36/09/37/542360937.db2.gz YCJMASCOADNBQV-QGZVFWFLSA-N 1 0 359.470 2.430 20 30 FEEDRO C=CCOc1ccc(/C=C/C(=O)N2CCC[N@@H+](CCOC)CC2)cc1OC ZINC000077742880 542414843 /nfs/dbraw/zinc/41/48/43/542414843.db2.gz PQQXOVNKVRZTBQ-VQHVLOKHSA-N 1 0 374.481 2.454 20 30 FEEDRO C=CCNC(=O)c1ccc(NC(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)cc1 ZINC000078801207 542481538 /nfs/dbraw/zinc/48/15/38/542481538.db2.gz GAXCLNAZOTZFHN-GOSISDBHSA-N 1 0 374.485 2.177 20 30 FEEDRO C[NH+]=C(NCc1ccc(N2CCCC2)nc1)NCc1ccc2c(c1)OCO2 ZINC000079299241 542511959 /nfs/dbraw/zinc/51/19/59/542511959.db2.gz AKARUFZCLMTVCV-UHFFFAOYSA-N 1 0 367.453 2.276 20 30 FEEDRO C[NH+]1CCC(C#N)(NC(=O)CCc2cccc(Br)c2)CC1 ZINC000080012253 542558145 /nfs/dbraw/zinc/55/81/45/542558145.db2.gz PWNQBVLFGAMDSM-UHFFFAOYSA-N 1 0 350.260 2.486 20 30 FEEDRO CO[C@@H](CNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)C(C)C ZINC000080603474 542596229 /nfs/dbraw/zinc/59/62/29/542596229.db2.gz TWHCIYWSTPMRTQ-IBGZPJMESA-N 1 0 358.486 2.447 20 30 FEEDRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)NCCOc2ccc(C#N)cc2)C1 ZINC000080707007 542602567 /nfs/dbraw/zinc/60/25/67/542602567.db2.gz MBNARRZDAZQOKO-SFHVURJKSA-N 1 0 356.470 2.310 20 30 FEEDRO C[NH+](C)Cc1c2ccccc2oc1C(=O)NCC1CCN(CC#N)CC1 ZINC000081733650 542674459 /nfs/dbraw/zinc/67/44/59/542674459.db2.gz INIJOESQDYKJMK-UHFFFAOYSA-N 1 0 354.454 2.460 20 30 FEEDRO C[C@@H]1C[NH+](CCC2CCN(C(=O)c3cc(C#N)cn3C)CC2)C[C@@H](C)O1 ZINC000081808721 542678108 /nfs/dbraw/zinc/67/81/08/542678108.db2.gz DKYCGZRJWPYVQP-HZPDHXFCSA-N 1 0 358.486 2.248 20 30 FEEDRO [NH2+]=C(NC[C@H]1CCN(CC(F)(F)F)C1)N[C@@H]1CCOc2ccccc21 ZINC000083032150 542690548 /nfs/dbraw/zinc/69/05/48/542690548.db2.gz AEAUWNCWIPPCAM-TZMCWYRMSA-N 1 0 356.392 2.299 20 30 FEEDRO [NH2+]=C(NCc1nccn1CC(F)(F)F)N[C@@H]1CCOc2ccccc21 ZINC000083052454 542690993 /nfs/dbraw/zinc/69/09/93/542690993.db2.gz FQSYFAJNWNLXMW-GFCCVEGCSA-N 1 0 353.348 2.374 20 30 FEEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(OCc2ccccc2C)CC1 ZINC000091811453 542826945 /nfs/dbraw/zinc/82/69/45/542826945.db2.gz IUDIJKOQQBOXFV-INIZCTEOSA-N 1 0 359.470 2.376 20 30 FEEDRO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+](C)CCCOc2ccccc2)CC1 ZINC000092617019 542875230 /nfs/dbraw/zinc/87/52/30/542875230.db2.gz MYHBVFYMGLRPOX-FQEVSTJZSA-N 1 0 372.513 2.080 20 30 FEEDRO N#Cc1ccncc1N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000094152283 542954691 /nfs/dbraw/zinc/95/46/91/542954691.db2.gz JJNZTEUOOKNHSE-GOSISDBHSA-N 1 0 362.481 2.387 20 30 FEEDRO C[C@H](CNC(=O)N1CCN(c2ccccc2C#N)CC1)C[NH+]1CCCC1 ZINC000101796592 543046075 /nfs/dbraw/zinc/04/60/75/543046075.db2.gz UVTCLXXRLHGRKK-QGZVFWFLSA-N 1 0 355.486 2.122 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1cn(-c2ccccc2Cl)nn1 ZINC000104327244 543128806 /nfs/dbraw/zinc/12/88/06/543128806.db2.gz PESGFHWCOMLXLD-UHFFFAOYSA-N 1 0 360.849 2.228 20 30 FEEDRO COc1ccc([C@H](CNC(=O)N2CCC(C#N)CC2)[NH+](C)C)cc1OC ZINC000105078738 543157046 /nfs/dbraw/zinc/15/70/46/543157046.db2.gz BZPLBSXJTSQADV-INIZCTEOSA-N 1 0 360.458 2.252 20 30 FEEDRO C[C@@H](CNC(=O)N1CCN(c2cccc(F)c2C#N)CC1)[N@H+](C)C1CC1 ZINC000105264887 543167903 /nfs/dbraw/zinc/16/79/03/543167903.db2.gz WEJDWVUDUOVMHF-AWEZNQCLSA-N 1 0 359.449 2.012 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@H](CNC(=O)C(C)C)C2)CC1 ZINC000106340893 543224571 /nfs/dbraw/zinc/22/45/71/543224571.db2.gz BRYUSVWTHFUBSI-QGZVFWFLSA-N 1 0 364.534 2.221 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cnc3ccccc3c2)CC1 ZINC000106349173 543224834 /nfs/dbraw/zinc/22/48/34/543224834.db2.gz FOKDIVAQULRCBP-UHFFFAOYSA-N 1 0 352.438 2.330 20 30 FEEDRO C=CCN1C(=O)c2ccc(C(=O)N3CCC[C@H]([NH+]4CCCC4)C3)cc2C1=O ZINC000107600809 543273176 /nfs/dbraw/zinc/27/31/76/543273176.db2.gz MCGOFWKMOVMOGA-INIZCTEOSA-N 1 0 367.449 2.169 20 30 FEEDRO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC000108707714 543300013 /nfs/dbraw/zinc/30/00/13/543300013.db2.gz DRDNKGSVMMYXBB-UHFFFAOYSA-N 1 0 370.497 2.114 20 30 FEEDRO C[C@@H](CNS(=O)(=O)Cc1cccc(C#N)c1)[N@H+](C)Cc1ccccc1 ZINC000111348246 543398291 /nfs/dbraw/zinc/39/82/91/543398291.db2.gz UJTLMZGVOSNYDD-INIZCTEOSA-N 1 0 357.479 2.498 20 30 FEEDRO COc1ccc(C)cc1C1(C[NH2+][C@H](C)C(=O)N(C)CCC#N)CCOCC1 ZINC000112535298 543450608 /nfs/dbraw/zinc/45/06/08/543450608.db2.gz BHSIOQKCXRAFIG-QGZVFWFLSA-N 1 0 373.497 2.402 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1c(C)oc2nc[nH]c(=O)c21)C(C)C ZINC000112919906 543468829 /nfs/dbraw/zinc/46/88/29/543468829.db2.gz CYVBPCVXNOTIJQ-AWEZNQCLSA-N 1 0 358.442 2.253 20 30 FEEDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N1CCN(c2ncccc2C#N)CC1 ZINC000113406852 543487273 /nfs/dbraw/zinc/48/72/73/543487273.db2.gz NHMUDODEJHZWTD-GOSISDBHSA-N 1 0 370.501 2.049 20 30 FEEDRO N#Cc1ccsc1C(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000114378394 543512025 /nfs/dbraw/zinc/51/20/25/543512025.db2.gz VKRVSAHMSOVTFM-UHFFFAOYSA-N 1 0 374.510 2.074 20 30 FEEDRO CSc1nc(C2CC2)cc(C(=O)NCC2([NH+](C)C)CCOCC2)c1C#N ZINC000114416179 543514513 /nfs/dbraw/zinc/51/45/13/543514513.db2.gz XFJITJJAMFIJEG-UHFFFAOYSA-N 1 0 374.510 2.393 20 30 FEEDRO CC(C)C[C@@H](C[NH+](C)C)NC(=O)C(=O)Nc1cccc(OCCCC#N)c1 ZINC000121867535 543700171 /nfs/dbraw/zinc/70/01/71/543700171.db2.gz WVXIFPSMHDUPSN-KRWDZBQOSA-N 1 0 374.485 2.400 20 30 FEEDRO O=S(=O)(NC1CC1)[C@@H]1CCN(CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000120746986 543684112 /nfs/dbraw/zinc/68/41/12/543684112.db2.gz BBNLSIIDJPWKQI-MRXNPFEDSA-N 1 0 372.412 2.213 20 30 FEEDRO COC(=O)[C@H](C)CN(C)CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000120750489 543684396 /nfs/dbraw/zinc/68/43/96/543684396.db2.gz GQHNCGQWLKJBFA-CYBMUJFWSA-N 1 0 351.834 2.328 20 30 FEEDRO CCOC(=O)N1CCC(NC(=[NH2+])NC[C@@H]2[C@@H]3CCc4ccccc4[C@H]23)CC1 ZINC000119564289 543669126 /nfs/dbraw/zinc/66/91/26/543669126.db2.gz XWVJAPVMHQWZBY-OTWHNJEPSA-N 1 0 370.497 2.488 20 30 FEEDRO C=C(C)COc1cc(C[NH2+]C[C@H]2CCCN2S(C)(=O)=O)ccc1OC ZINC000120189135 543677010 /nfs/dbraw/zinc/67/70/10/543677010.db2.gz OLUOQOGNFZXQQZ-MRXNPFEDSA-N 1 0 368.499 2.164 20 30 FEEDRO N#CCN1CCC(CNC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC000122884098 543729933 /nfs/dbraw/zinc/72/99/33/543729933.db2.gz RVJQWXLDSSUFMU-FQEVSTJZSA-N 1 0 354.498 2.393 20 30 FEEDRO Cc1ccc([C@@H](C[NH2+]Cc2cnc3ccc(C#N)cn23)N2CCOCC2)o1 ZINC000123202855 543748114 /nfs/dbraw/zinc/74/81/14/543748114.db2.gz DEEOVNJPWNBTEJ-GOSISDBHSA-N 1 0 365.437 2.271 20 30 FEEDRO CCOc1ccc(NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C)c(C)c1 ZINC000122132017 543703644 /nfs/dbraw/zinc/70/36/44/543703644.db2.gz NZFONUXGLKFDBV-UHFFFAOYSA-N 1 0 360.458 2.026 20 30 FEEDRO C[C@H](C[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F)C[NH+]1CCCCC1 ZINC000124328464 543814249 /nfs/dbraw/zinc/81/42/49/543814249.db2.gz TZUBGGNJAYIDJA-GFCCVEGCSA-N 1 0 357.426 2.237 20 30 FEEDRO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+](C)CC(C)(C)CN1CCOCC1 ZINC000124347272 543815978 /nfs/dbraw/zinc/81/59/78/543815978.db2.gz XNAYAMWZIXNJQG-MRXNPFEDSA-N 1 0 358.486 2.175 20 30 FEEDRO CN(C(=O)CSCC#N)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000124778083 543842401 /nfs/dbraw/zinc/84/24/01/543842401.db2.gz OOSKEMYMULGFSV-SJORKVTESA-N 1 0 352.548 2.039 20 30 FEEDRO C=CCC[C@@H](O)C[N@@H+]1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000124867093 543847676 /nfs/dbraw/zinc/84/76/76/543847676.db2.gz KOFNPDXQITWDRX-WOJBJXKFSA-N 1 0 358.530 2.243 20 30 FEEDRO CC(C)[NH+]1CCN(c2cccc(N[C@H](C)C(=O)N(C)CCC#N)c2)CC1 ZINC000125027020 543856776 /nfs/dbraw/zinc/85/67/76/543856776.db2.gz TWSKDZLRYPYEDF-QGZVFWFLSA-N 1 0 357.502 2.389 20 30 FEEDRO C=CCCOCCNC(=O)NC[C@@H](c1ccc(C)cc1)N1CCOCC1 ZINC000127195022 543978092 /nfs/dbraw/zinc/97/80/92/543978092.db2.gz RKWSMBPDUHWUEU-IBGZPJMESA-N 1 0 361.486 2.260 20 30 FEEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+](C)CC(=O)NC3CC3)sc2C1 ZINC000126612303 543946867 /nfs/dbraw/zinc/94/68/67/543946867.db2.gz YPOQBUMBCBQUKL-GFCCVEGCSA-N 1 0 374.510 2.284 20 30 FEEDRO C[C@H]1C[C@@H](NC(=O)N2CCN(c3ccccc3C#N)CC2)C[N@@H+]1C1CC1 ZINC000127325697 543985876 /nfs/dbraw/zinc/98/58/76/543985876.db2.gz DLOZLQIMTZKOLA-DOTOQJQBSA-N 1 0 353.470 2.015 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(-c3ccccc3)no2)c1C#N ZINC000128120432 544033306 /nfs/dbraw/zinc/03/33/06/544033306.db2.gz QHMCTJJTLLLRDJ-UHFFFAOYSA-N 1 0 350.382 2.341 20 30 FEEDRO C[C@H]1Sc2ccc(C(=O)N(CCC#N)CCC[NH+](C)C)cc2NC1=O ZINC000129029207 544086716 /nfs/dbraw/zinc/08/67/16/544086716.db2.gz AFFFFYDMMSOXSY-CYBMUJFWSA-N 1 0 360.483 2.427 20 30 FEEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCC1CC[NH+](C)CC1 ZINC000129110833 544091236 /nfs/dbraw/zinc/09/12/36/544091236.db2.gz NQIVONRYDVCDTB-AWEZNQCLSA-N 1 0 374.510 2.477 20 30 FEEDRO C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCC(C(=O)N2CCc3ccccc32)CC1 ZINC000129339214 544106250 /nfs/dbraw/zinc/10/62/50/544106250.db2.gz GUDADJSXAKYKTG-INIZCTEOSA-N 1 0 368.481 2.048 20 30 FEEDRO N#CCCn1cc(C[NH2+]C[C@H]2CCCS2(=O)=O)c(-c2ccccc2)n1 ZINC000131696143 544202245 /nfs/dbraw/zinc/20/22/45/544202245.db2.gz JIZYZUPWCRNGTE-QGZVFWFLSA-N 1 0 358.467 2.131 20 30 FEEDRO C#CCOc1ccc([C@H](C)[NH2+]C2CCN(S(=O)(=O)CC)CC2)cc1 ZINC000133175070 544258891 /nfs/dbraw/zinc/25/88/91/544258891.db2.gz CYBWAKIEPVBNNC-HNNXBMFYSA-N 1 0 350.484 2.163 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CN(Cc3ccccc3)CCO2)CC1 ZINC000133060556 544254255 /nfs/dbraw/zinc/25/42/55/544254255.db2.gz NSAWHXVIDBSDCO-FQEVSTJZSA-N 1 0 357.498 2.044 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCN(CC(F)(F)F)[C@@H](C)C2)CC1 ZINC000135354197 544343739 /nfs/dbraw/zinc/34/37/39/544343739.db2.gz VHRFUACHXBZNAI-AWEZNQCLSA-N 1 0 362.440 2.305 20 30 FEEDRO C[NH+]1CCC(N(Cc2ccco2)C(=O)C#Cc2ccc3c(c2)OCO3)CC1 ZINC000137528986 544391168 /nfs/dbraw/zinc/39/11/68/544391168.db2.gz KYIPMCHHWCQSJB-UHFFFAOYSA-N 1 0 366.417 2.483 20 30 FEEDRO Cc1ccc(N2CC[C@H](C(=O)N(CCC#N)CCC[NH+](C)C)C2=O)cc1 ZINC000137045847 544383354 /nfs/dbraw/zinc/38/33/54/544383354.db2.gz AKZYCIIQRJMWLP-GOSISDBHSA-N 1 0 356.470 2.042 20 30 FEEDRO Cc1cccc(C)c1NC(=O)[C@@H](C)[N@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000153328365 544762754 /nfs/dbraw/zinc/76/27/54/544762754.db2.gz GCGLQKYZPBTZAH-CQSZACIVSA-N 1 0 354.458 2.372 20 30 FEEDRO CCc1ccc(NC(=O)[C@@H](C)[N@H+](C)CCCc2[nH]nc(N)c2C#N)cc1 ZINC000153341306 544763767 /nfs/dbraw/zinc/76/37/67/544763767.db2.gz BGWZAXUIKGGWCO-CYBMUJFWSA-N 1 0 354.458 2.318 20 30 FEEDRO N#CCC(=O)NCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000153565206 544791906 /nfs/dbraw/zinc/79/19/06/544791906.db2.gz BABRRYBILOGABO-UHFFFAOYSA-N 1 0 354.376 2.247 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCC[C@H](SCC)C2)CC1 ZINC000553329731 674253357 /nfs/dbraw/zinc/25/33/57/674253357.db2.gz OXKMZGLHFOLJHQ-SJORKVTESA-N 1 0 367.559 2.324 20 30 FEEDRO C[C@@H]([NH3+])C1CCN(S(=O)(=O)c2cc(Br)cc(C#N)c2)CC1 ZINC000178923513 327616290 /nfs/dbraw/zinc/61/62/90/327616290.db2.gz QZCBERHXYCONRJ-SNVBAGLBSA-N 1 0 372.288 2.069 20 30 FEEDRO C#C[C@H](NC(=O)CCN1CC[NH+](CC)CC1)c1ccc(Cl)cc1F ZINC000804420414 674285566 /nfs/dbraw/zinc/28/55/66/674285566.db2.gz HVXDAVNEJIPYDT-KRWDZBQOSA-N 1 0 351.853 2.297 20 30 FEEDRO C[C@@H](NC(=O)CNC(=O)c1ccc(C#N)cc1)[C@H](c1ccccc1)[NH+](C)C ZINC000186494922 327964657 /nfs/dbraw/zinc/96/46/57/327964657.db2.gz ROLYTDYUTXFGLK-FOIQADDNSA-N 1 0 364.449 2.096 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCC[C@H]1CCO ZINC000188422300 328086089 /nfs/dbraw/zinc/08/60/89/328086089.db2.gz DZHCBOYZZFKZDI-OALUTQOASA-N 1 0 358.486 2.183 20 30 FEEDRO Cc1nc(C#N)c(N2CCC(C(=O)N[C@@H]3CCC[C@H]([NH+](C)C)C3)CC2)o1 ZINC000189221256 328135732 /nfs/dbraw/zinc/13/57/32/328135732.db2.gz QQNFQDZVWXLIHB-CVEARBPZSA-N 1 0 359.474 2.060 20 30 FEEDRO COC[C@H]1C[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@@H](C)O1 ZINC000189415385 328146721 /nfs/dbraw/zinc/14/67/21/328146721.db2.gz SICLGDUTRWGKBA-IUODEOHRSA-N 1 0 351.834 2.276 20 30 FEEDRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000192523317 328323579 /nfs/dbraw/zinc/32/35/79/328323579.db2.gz WIODIVXDJNTUJA-OAHLLOKOSA-N 1 0 373.501 2.434 20 30 FEEDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000192752347 328337451 /nfs/dbraw/zinc/33/74/51/328337451.db2.gz ZCLOGPYCKKKTMX-HUUCEWRRSA-N 1 0 373.501 2.290 20 30 FEEDRO N#Cc1cc(S(=O)(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)ccc1F ZINC000192987415 328350736 /nfs/dbraw/zinc/35/07/36/328350736.db2.gz UXXXUOTUVGZPPX-INIZCTEOSA-N 1 0 373.453 2.498 20 30 FEEDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)C1 ZINC000193117362 328358447 /nfs/dbraw/zinc/35/84/47/328358447.db2.gz JWVONBZWXGJLJE-GJZGRUSLSA-N 1 0 359.474 2.042 20 30 FEEDRO C[C@H](CCNC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C)[NH+]1CCCCC1 ZINC000193278808 328366532 /nfs/dbraw/zinc/36/65/32/328366532.db2.gz KMWGMTOBYSGDPX-OAHLLOKOSA-N 1 0 373.501 2.434 20 30 FEEDRO C[NH+](C)[C@@H](CNC(=O)Cn1cc(C#N)c(=O)c2ccccc21)c1ccccc1 ZINC000193488244 328378242 /nfs/dbraw/zinc/37/82/42/328378242.db2.gz YFORYVYRWGAHOX-FQEVSTJZSA-N 1 0 374.444 2.292 20 30 FEEDRO C[N@H+]1C[C@H]2CN(CC(=O)Nc3sc4c(c3C#N)CCCCC4)C[C@H]2C1 ZINC000193654813 328388181 /nfs/dbraw/zinc/38/81/81/328388181.db2.gz UITLOWPAKXUFHA-OKILXGFUSA-N 1 0 358.511 2.321 20 30 FEEDRO CN(C(=O)c1ccnc(C#N)c1)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000193679196 328389265 /nfs/dbraw/zinc/38/92/65/328389265.db2.gz PHNZJKQEKNBZPK-UXHICEINSA-N 1 0 369.513 2.362 20 30 FEEDRO C[C@@H](CNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)Cn1cccn1 ZINC000054577943 324761807 /nfs/dbraw/zinc/76/18/07/324761807.db2.gz FJKVFVWMSHHCJU-KRWDZBQOSA-N 1 0 368.485 2.164 20 30 FEEDRO CN(Cc1ccc(C#N)cc1)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000077671290 325003920 /nfs/dbraw/zinc/00/39/20/325003920.db2.gz FOQQNXNFGOXENE-SFHVURJKSA-N 1 0 356.470 2.201 20 30 FEEDRO C[C@H](NC(=O)N1CCCN(c2ncccc2C#N)CC1)C(C)(C)C[NH+](C)C ZINC000085418372 325254428 /nfs/dbraw/zinc/25/44/28/325254428.db2.gz FOASACQSBIOUKN-INIZCTEOSA-N 1 0 372.517 2.151 20 30 FEEDRO CC(C)[NH+](CCNC(=O)C(=O)Nc1cc(C#N)ccc1Cl)C(C)C ZINC000088767105 325299636 /nfs/dbraw/zinc/29/96/36/325299636.db2.gz WAUBKYSBIXWLJC-UHFFFAOYSA-N 1 0 350.850 2.385 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2cc3c(c(Cl)c2)OCO3)c1C#N ZINC000089662961 325325912 /nfs/dbraw/zinc/32/59/12/325325912.db2.gz WEYRFSVFLWKJAA-UHFFFAOYSA-N 1 0 361.789 2.068 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@H]2C[C@H]2c2cccc(F)c2F)c1C#N ZINC000089663694 325326360 /nfs/dbraw/zinc/32/63/60/325326360.db2.gz CDNQHEFTNIIPMK-RYUDHWBXSA-N 1 0 359.380 2.454 20 30 FEEDRO N#Cc1ccc(NC(=O)CC[NH+]2CCC(n3cncn3)CC2)cc1Cl ZINC000103471952 325520169 /nfs/dbraw/zinc/52/01/69/325520169.db2.gz UDZNXHCFMCWFNS-UHFFFAOYSA-N 1 0 358.833 2.469 20 30 FEEDRO CC1CCC([NH+]2CCN(C(=O)C(=O)Nc3ccc(C#N)cc3)CC2)CC1 ZINC000115890732 325985602 /nfs/dbraw/zinc/98/56/02/325985602.db2.gz BZMJDJXLTLTKNT-UHFFFAOYSA-N 1 0 354.454 2.220 20 30 FEEDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)C1 ZINC000118112931 326081807 /nfs/dbraw/zinc/08/18/07/326081807.db2.gz ICPUITMSKYTMRQ-CYBMUJFWSA-N 1 0 362.861 2.387 20 30 FEEDRO CC[C@@H]1CN(Cc2ncc(-c3ccc(C#N)cc3)o2)CC[N@@H+]1C[C@@H](C)O ZINC000119152105 326131813 /nfs/dbraw/zinc/13/18/13/326131813.db2.gz GVIWOIJZGJBFHR-CRAIPNDOSA-N 1 0 354.454 2.490 20 30 FEEDRO COC(=O)c1ccc(C[NH2+]Cc2cnc3ccc(C#N)cn23)cc1OC ZINC000120097736 326230366 /nfs/dbraw/zinc/23/03/66/326230366.db2.gz HKPQWFWLQXNGTB-UHFFFAOYSA-N 1 0 350.378 2.291 20 30 FEEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000120466848 326261081 /nfs/dbraw/zinc/26/10/81/326261081.db2.gz CJNVIBSBVHAUNR-GDBMZVCRSA-N 1 0 372.469 2.225 20 30 FEEDRO N#Cc1ccc([C@@H](O)C[NH2+][C@H](CN2CCOCC2)c2ccccc2)cc1 ZINC000126904546 326497161 /nfs/dbraw/zinc/49/71/61/326497161.db2.gz VVJAKWFIZCRQLC-RTWAWAEBSA-N 1 0 351.450 2.255 20 30 FEEDRO Cc1occc1C(=O)NC1CC[NH+](C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000156047193 326815496 /nfs/dbraw/zinc/81/54/96/326815496.db2.gz JUXGVUFSMJIYGW-IBGZPJMESA-N 1 0 353.422 2.388 20 30 FEEDRO C[C@@H]1C[NH+](Cc2ccc(CNC(=O)c3ccc(C#N)[nH]3)cc2)C[C@@H](C)O1 ZINC000157298489 326861596 /nfs/dbraw/zinc/86/15/96/326861596.db2.gz RGZHFCBFQCEUKO-HUUCEWRRSA-N 1 0 352.438 2.426 20 30 FEEDRO CCC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(OC(C)C)c(C#N)c2)CC1 ZINC000161334726 326996140 /nfs/dbraw/zinc/99/61/40/326996140.db2.gz SIGCAVJZJYMDSG-UHFFFAOYSA-N 1 0 372.469 2.275 20 30 FEEDRO C[C@H]1C[NH+](CC2CCN(CC(=O)Nc3ccc(C#N)cc3)CC2)C[C@H](C)O1 ZINC000170780154 327098632 /nfs/dbraw/zinc/09/86/32/327098632.db2.gz AVLWJPBVRRTTBF-IRXDYDNUSA-N 1 0 370.497 2.318 20 30 FEEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000170812392 327100105 /nfs/dbraw/zinc/10/01/05/327100105.db2.gz DBQHBVPODBBYBL-UHFFFAOYSA-N 1 0 370.497 2.130 20 30 FEEDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)N(Cc1ccc(C#N)cc1)C1CC1 ZINC000171908527 327169707 /nfs/dbraw/zinc/16/97/07/327169707.db2.gz OPJMCCSXGHQHNY-IBGZPJMESA-N 1 0 356.470 2.343 20 30 FEEDRO CC[C@@H]1CN(C(=O)Nc2cc(C#N)cn2C(C)(C)C)CC[N@@H+]1C[C@@H](C)O ZINC000173270659 327245608 /nfs/dbraw/zinc/24/56/08/327245608.db2.gz HNVKJQFKJLXBJP-GDBMZVCRSA-N 1 0 361.490 2.424 20 30 FEEDRO N#Cc1cc(S(=O)(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)ccc1F ZINC000173866928 327289739 /nfs/dbraw/zinc/28/97/39/327289739.db2.gz GEQLEGGXAVKGEA-HNNXBMFYSA-N 1 0 351.447 2.240 20 30 FEEDRO N#Cc1ccc(C[NH2+]CC2CCN(S(=O)(=O)c3ccccc3)CC2)o1 ZINC000174354226 327321774 /nfs/dbraw/zinc/32/17/74/327321774.db2.gz KZQNIPQVKSALHA-UHFFFAOYSA-N 1 0 359.451 2.342 20 30 FEEDRO N#Cc1c(NC(=O)CC[N@H+]2CC[C@@](O)(C(F)(F)F)C2)sc2c1CCC2 ZINC000174747621 327348066 /nfs/dbraw/zinc/34/80/66/327348066.db2.gz LZLZVGGTFLMYNU-HNNXBMFYSA-N 1 0 373.400 2.436 20 30 FEEDRO CC1CC[NH+](CCCCNC(=O)C(=O)Nc2ccc(F)cc2C#N)CC1 ZINC000175949617 327423754 /nfs/dbraw/zinc/42/37/54/327423754.db2.gz HDQIXVRPSCAEPI-UHFFFAOYSA-N 1 0 360.433 2.264 20 30 FEEDRO N#Cc1cccc(CS(=O)(=O)N2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)c1 ZINC000261645832 328808475 /nfs/dbraw/zinc/80/84/75/328808475.db2.gz FCDDMJXXBJDXQN-MOPGFXCFSA-N 1 0 355.463 2.062 20 30 FEEDRO N#Cc1cc(S(=O)(=O)N(C2CC2)[C@H]2CC[NH2+]C2)ccc1C(F)(F)F ZINC000262122742 328843974 /nfs/dbraw/zinc/84/39/74/328843974.db2.gz VWBYBEHBEXMGAH-LBPRGKRZSA-N 1 0 359.373 2.092 20 30 FEEDRO C[C@@H]1C[NH+](CC2CCN(C(=O)COc3ccccc3C#N)CC2)C[C@@H](C)O1 ZINC000263833554 328966989 /nfs/dbraw/zinc/96/69/89/328966989.db2.gz TUIULCQJUNGHFT-IAGOWNOFSA-N 1 0 371.481 2.285 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)c(C(F)(F)F)c1 ZINC000266074621 329187773 /nfs/dbraw/zinc/18/77/73/329187773.db2.gz APISYWOAPZMRBQ-LBPRGKRZSA-N 1 0 373.400 2.340 20 30 FEEDRO CNC(=O)c1ccc(C[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1 ZINC000272519316 329787553 /nfs/dbraw/zinc/78/75/53/329787553.db2.gz ISVHUGMUGFLCLD-LJQANCHMSA-N 1 0 362.433 2.203 20 30 FEEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[NH2+][C@@H](C)[C@H](C)CO)c1C#N ZINC000273951466 329904927 /nfs/dbraw/zinc/90/49/27/329904927.db2.gz FMWLIFHUQLFJRC-OCCSQVGLSA-N 1 0 358.442 2.163 20 30 FEEDRO Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1[NH2+]CC(=O)Nc1sccc1C#N ZINC000275229976 330024395 /nfs/dbraw/zinc/02/43/95/330024395.db2.gz CXKDFBJGAYYTDJ-BBRMVZONSA-N 1 0 359.455 2.028 20 30 FEEDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)Nc1cc(C#N)ccc1Cl ZINC000275888513 330100244 /nfs/dbraw/zinc/10/02/44/330100244.db2.gz PKXFWLSJZJTLMQ-LBPRGKRZSA-N 1 0 362.861 2.339 20 30 FEEDRO COc1cc(C#N)ccc1OCC[N@@H+]1CCC[C@@H]1C[C@H](O)c1cnn(C)c1 ZINC000371456141 330243916 /nfs/dbraw/zinc/24/39/16/330243916.db2.gz FSMFZMWSQUKCNF-MSOLQXFVSA-N 1 0 370.453 2.267 20 30 FEEDRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000416705999 330262500 /nfs/dbraw/zinc/26/25/00/330262500.db2.gz MHGULFMDNDYAGV-JXFKEZNVSA-N 1 0 369.513 2.261 20 30 FEEDRO CN(C)[C@@H](C[NH2+]CCS(=O)(=O)c1cccc(C#N)c1)c1ccccc1 ZINC000554797890 674336904 /nfs/dbraw/zinc/33/69/04/674336904.db2.gz HOBJWCCRBVKHRL-IBGZPJMESA-N 1 0 357.479 2.224 20 30 FEEDRO CCOC(=O)COCC[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000554958388 674343138 /nfs/dbraw/zinc/34/31/38/674343138.db2.gz DXYGOAPPFUWWBQ-UHFFFAOYSA-N 1 0 350.390 2.120 20 30 FEEDRO Cc1cc(NC(=O)CN(C)C[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)on1 ZINC000328655180 525099389 /nfs/dbraw/zinc/09/93/89/525099389.db2.gz YCMGSSBTGFBCBU-KBXCAEBGSA-N 1 0 360.462 2.319 20 30 FEEDRO Cc1[nH]c(=O)ccc1C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000155878435 545579646 /nfs/dbraw/zinc/57/96/46/545579646.db2.gz NEWWLYZCHKJAHK-UHFFFAOYSA-N 1 0 350.422 2.315 20 30 FEEDRO Cc1c(/C=C/C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cnn1C ZINC000156494476 545630673 /nfs/dbraw/zinc/63/06/73/545630673.db2.gz VMBKWZUQTCQIHW-CMDGGOBGSA-N 1 0 363.465 2.348 20 30 FEEDRO C[C@H](CNS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N)[N@H+](C)C1CC1 ZINC000157151725 545707334 /nfs/dbraw/zinc/70/73/34/545707334.db2.gz YWYNFMIMYVLJBF-SNVBAGLBSA-N 1 0 361.389 2.338 20 30 FEEDRO C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)c3ccc(C#N)[nH]3)cc2)C[C@H](C)O1 ZINC000157298184 545724111 /nfs/dbraw/zinc/72/41/11/545724111.db2.gz RGZHFCBFQCEUKO-GASCZTMLSA-N 1 0 352.438 2.426 20 30 FEEDRO CC[C@@H](CO)[NH+]1CCN(C(=O)Nc2ccc(OC(C)C)c(C#N)c2)CC1 ZINC000157773197 545781385 /nfs/dbraw/zinc/78/13/85/545781385.db2.gz KYRYGCTXBOJFMC-KRWDZBQOSA-N 1 0 360.458 2.266 20 30 FEEDRO C[NH+]=C(NCc1nncn1-c1ccccc1)NCc1sc(C)nc1C ZINC000157921201 545800099 /nfs/dbraw/zinc/80/00/99/545800099.db2.gz WIBIHQZRZXNDKI-UHFFFAOYSA-N 1 0 355.471 2.206 20 30 FEEDRO CC[N@@H+]1CCCN(CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC1 ZINC000158217987 545836714 /nfs/dbraw/zinc/83/67/14/545836714.db2.gz YJIDAKGKJNKAIE-UHFFFAOYSA-N 1 0 367.415 2.201 20 30 FEEDRO C=CC[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000478027858 561158525 /nfs/dbraw/zinc/15/85/25/561158525.db2.gz MPNKWTAIGFDPAP-AWEZNQCLSA-N 1 0 368.401 2.016 20 30 FEEDRO CCOc1ccc(N(CCC#N)C(=O)C[N@H+](C)C[C@@H]2CCC[C@@H]2O)cc1 ZINC000159463389 545955979 /nfs/dbraw/zinc/95/59/79/545955979.db2.gz UYPCCNSSXKUPQE-LPHOPBHVSA-N 1 0 359.470 2.425 20 30 FEEDRO CCOc1ccc(N(CCC#N)C(=O)C[N@H+](C)C[C@H]2CCC[C@@H]2O)cc1 ZINC000159463513 545956420 /nfs/dbraw/zinc/95/64/20/545956420.db2.gz UYPCCNSSXKUPQE-APWZRJJASA-N 1 0 359.470 2.425 20 30 FEEDRO C[C@H]1C[C@@H](N(C)S(=O)(=O)N(C)CCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000160003760 545999553 /nfs/dbraw/zinc/99/95/53/545999553.db2.gz SAVRIAWBNAVQCG-WMZOPIPTSA-N 1 0 364.515 2.062 20 30 FEEDRO C[C@@H]1CCCC[N@@H+]1CCCNS(=O)(=O)Cc1cc(C#N)ccc1F ZINC000160212133 546018241 /nfs/dbraw/zinc/01/82/41/546018241.db2.gz OKYVSTYGTDFVPG-CQSZACIVSA-N 1 0 353.463 2.381 20 30 FEEDRO CCC(=O)N1CC[C@@H](NC(NCc2ccc(Br)s2)=[NH+]C)C1 ZINC000161222955 546110899 /nfs/dbraw/zinc/11/08/99/546110899.db2.gz MKJHOCQYECLRKL-SNVBAGLBSA-N 1 0 373.320 2.187 20 30 FEEDRO C[NH+](C)Cc1cccc(NC(=O)C(=O)N(CCC#N)Cc2cccnc2)c1 ZINC000163744612 546147008 /nfs/dbraw/zinc/14/70/08/546147008.db2.gz WZQQZGBUEIOSIU-UHFFFAOYSA-N 1 0 365.437 2.024 20 30 FEEDRO CCCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000166094900 546154429 /nfs/dbraw/zinc/15/44/29/546154429.db2.gz WYLPVDHSWDFHHA-FCEWJHQRSA-N 1 0 350.507 2.058 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC(C2OCCO2)CC1)C(C)C ZINC000170681846 546170370 /nfs/dbraw/zinc/17/03/70/546170370.db2.gz UKPLFJXXHPNKLE-GOSISDBHSA-N 1 0 365.518 2.480 20 30 FEEDRO CC(C)(C)NS(=O)(=O)c1ccccc1CNC(=[NH2+])Nc1ccccn1 ZINC000170910588 546182077 /nfs/dbraw/zinc/18/20/77/546182077.db2.gz RTYWYRMLDBDLBU-UHFFFAOYSA-N 1 0 361.471 2.085 20 30 FEEDRO COc1ccc(-c2nnc(CNC(=[NH2+])NCc3ccccc3OC)[nH]2)cc1 ZINC000170915090 546182245 /nfs/dbraw/zinc/18/22/45/546182245.db2.gz RDNUKKMJUXCVGT-UHFFFAOYSA-N 1 0 366.425 2.093 20 30 FEEDRO C=CCSCCNC(=O)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000171667684 546218294 /nfs/dbraw/zinc/21/82/94/546218294.db2.gz SZFOOJCPXJJCQX-IRXDYDNUSA-N 1 0 354.564 2.106 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C[C@@H](NC(C)=O)c2c(F)cccc2F)CC1 ZINC000171715227 546220966 /nfs/dbraw/zinc/22/09/66/546220966.db2.gz OLJGILWINREORW-QGZVFWFLSA-N 1 0 365.424 2.299 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)c2nn(-c3ccccc3F)c(C)cc2=O)CC1 ZINC000171722549 546221552 /nfs/dbraw/zinc/22/15/52/546221552.db2.gz IVNYVIOUBYQRBE-UHFFFAOYSA-N 1 0 370.428 2.060 20 30 FEEDRO C[NH+](C)CCOc1ccccc1CNC(=O)Nc1ccn(CCC#N)n1 ZINC000173335883 546277999 /nfs/dbraw/zinc/27/79/99/546277999.db2.gz QKXDNCNKVMZMMG-UHFFFAOYSA-N 1 0 356.430 2.059 20 30 FEEDRO C[NH+](C)CCCOc1ccc(CNC(=O)Nc2ccn(CCC#N)n2)cc1 ZINC000173351106 546279122 /nfs/dbraw/zinc/27/91/22/546279122.db2.gz XTBYBALJRZSCBD-UHFFFAOYSA-N 1 0 370.457 2.449 20 30 FEEDRO C=CCNC(=O)c1ccc(N2CCC(OCC[NH+]3CCCC3)CC2)nc1 ZINC000173998918 546290019 /nfs/dbraw/zinc/29/00/19/546290019.db2.gz HPCBSZXSZBVPGY-UHFFFAOYSA-N 1 0 358.486 2.079 20 30 FEEDRO N#Cc1ccc(CC(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)cc1 ZINC000175649512 546327122 /nfs/dbraw/zinc/32/71/22/546327122.db2.gz BTQCANYFRUNMAL-UHFFFAOYSA-N 1 0 355.482 2.500 20 30 FEEDRO C[N@H+](CCCNC(=O)C(=O)Nc1ccc(F)cc1C#N)Cc1ccccc1 ZINC000175943644 546376781 /nfs/dbraw/zinc/37/67/81/546376781.db2.gz WJRRKNRNWRPGQZ-UHFFFAOYSA-N 1 0 368.412 2.274 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)OCc2cn(-c3ccc(Cl)cc3)nn2)CC1 ZINC000176925792 546509656 /nfs/dbraw/zinc/50/96/56/546509656.db2.gz FCANEKMQFDBKQL-UHFFFAOYSA-N 1 0 358.829 2.309 20 30 FEEDRO COc1cc(OC)cc(N2CC[C@H](CNC(=[NH2+])Nc3ccccn3)C2)c1 ZINC000177011314 546523024 /nfs/dbraw/zinc/52/30/24/546523024.db2.gz LREWALWRWWHOOR-CQSZACIVSA-N 1 0 355.442 2.352 20 30 FEEDRO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000177658964 546661694 /nfs/dbraw/zinc/66/16/94/546661694.db2.gz JXDUBKSMLQYWMR-DGCLKSJQSA-N 1 0 373.400 2.434 20 30 FEEDRO C=CCc1cc(C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)cc(OC)c1OC ZINC000178107486 546740204 /nfs/dbraw/zinc/74/02/04/546740204.db2.gz XJZFSJPHJQNBEY-INIZCTEOSA-N 1 0 374.481 2.227 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)Nc2cc(C(=O)N(C)C)ccc2OCC)CC1 ZINC000178138694 546744948 /nfs/dbraw/zinc/74/49/48/546744948.db2.gz DUTBUINJCSSFEL-UHFFFAOYSA-N 1 0 357.454 2.071 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N2CCOC[C@H]2C[C@H](O)c2ccccc2)CC1 ZINC000178919175 546873028 /nfs/dbraw/zinc/87/30/28/546873028.db2.gz AHMXIKBTYASJLV-UXHICEINSA-N 1 0 373.497 2.171 20 30 FEEDRO C[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccc(F)cc2C#N)[C@@H]1c1ccccc1 ZINC000179475235 546961188 /nfs/dbraw/zinc/96/11/88/546961188.db2.gz KQTSMHYKOYVWOB-MSOLQXFVSA-N 1 0 366.396 2.197 20 30 FEEDRO N#CCCn1cc(C[N@H+]2CCC[C@H](OCCO)C2)c(-c2ccccc2)n1 ZINC000179571245 546979307 /nfs/dbraw/zinc/97/93/07/546979307.db2.gz MJCCAYVWIAQREY-IBGZPJMESA-N 1 0 354.454 2.437 20 30 FEEDRO CN1CC[NH+]([C@@H]2CCCCN(C(=O)/C=C/c3ccccc3C#N)C2)CC1 ZINC000179629849 546988957 /nfs/dbraw/zinc/98/89/57/546988957.db2.gz CSHJMEYVCFZDAZ-SQUSKLHYSA-N 1 0 352.482 2.200 20 30 FEEDRO C#CCCOc1ccc(C[N@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)cc1 ZINC000179893142 547026132 /nfs/dbraw/zinc/02/61/32/547026132.db2.gz SQWPNDGBKAZUGP-IBGZPJMESA-N 1 0 356.466 2.160 20 30 FEEDRO CC(C)[C@H](C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)N1CCOCC1 ZINC000180039147 547041946 /nfs/dbraw/zinc/04/19/46/547041946.db2.gz ZVLQLFQWXNIJCB-FQEVSTJZSA-N 1 0 367.497 2.405 20 30 FEEDRO Cn1cc(C[N@@H+]2CC[C@H](CN3CCOCC3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180200660 547066684 /nfs/dbraw/zinc/06/66/84/547066684.db2.gz HUFARIWXRRQARN-GOSISDBHSA-N 1 0 365.481 2.113 20 30 FEEDRO COCCOC[C@H]1CC[N@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000180215713 547068933 /nfs/dbraw/zinc/06/89/33/547068933.db2.gz LTGBRVFKBVWDTH-KRWDZBQOSA-N 1 0 354.454 2.444 20 30 FEEDRO C=CCNC(=O)CNC(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000180339638 547087015 /nfs/dbraw/zinc/08/70/15/547087015.db2.gz WMSICTGFJYCWEH-INIZCTEOSA-N 1 0 358.486 2.020 20 30 FEEDRO C[C@H](NC(=O)C(=O)Nc1ccc(C#N)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000180405840 547103125 /nfs/dbraw/zinc/10/31/25/547103125.db2.gz UAGUBZPGFRKHKX-GOEBONIOSA-N 1 0 354.454 2.266 20 30 FEEDRO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCCN(CC(F)F)CC1 ZINC000180575024 547132581 /nfs/dbraw/zinc/13/25/81/547132581.db2.gz DOZAXEXXMCMFES-KRWDZBQOSA-N 1 0 354.441 2.428 20 30 FEEDRO C[C@@H]([NH2+]CC(=O)N[C@](C)(C#N)C1CC1)c1cccc(N2CCCC2=O)c1 ZINC000181398877 547308074 /nfs/dbraw/zinc/30/80/74/547308074.db2.gz DACAQQBDFCNKAG-JLTOFOAXSA-N 1 0 354.454 2.272 20 30 FEEDRO N#Cc1ccc(CNC(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)cc1 ZINC000181567455 547337484 /nfs/dbraw/zinc/33/74/84/547337484.db2.gz HBGYRVOCLHFVSF-FQEVSTJZSA-N 1 0 364.449 2.124 20 30 FEEDRO CC1(C)COCCN1CC[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000181679123 547359122 /nfs/dbraw/zinc/35/91/22/547359122.db2.gz CZMSSOOYOFOUSK-UHFFFAOYSA-N 1 0 356.514 2.223 20 30 FEEDRO C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+][C@@H](CC)c1cccc(S(N)(=O)=O)c1 ZINC000181747614 547373256 /nfs/dbraw/zinc/37/32/56/547373256.db2.gz DVNRNSOGDDVPTO-PBHICJAKSA-N 1 0 367.515 2.188 20 30 FEEDRO NC(=O)C[C@H]([NH2+]CC#Cc1ccc(OC(F)(F)F)cc1)C1CCOCC1 ZINC000181969076 547415819 /nfs/dbraw/zinc/41/58/19/547415819.db2.gz YGFQKRFMUXKVKK-INIZCTEOSA-N 1 0 370.371 2.197 20 30 FEEDRO C[NH+]1CCC(NC(=O)Nc2ccc(NC(=O)c3c[nH]c(C#N)c3)cc2)CC1 ZINC000182059788 547430628 /nfs/dbraw/zinc/43/06/28/547430628.db2.gz NTQDLKURJWYKKE-UHFFFAOYSA-N 1 0 366.425 2.354 20 30 FEEDRO N#Cc1ccc(N2CCC[C@H](N3CC[C@H](C[NH+]4CCCC4)C3)C2=O)cc1 ZINC000182805697 547554751 /nfs/dbraw/zinc/55/47/51/547554751.db2.gz UXGSFROGCODYRI-QUCCMNQESA-N 1 0 352.482 2.471 20 30 FEEDRO COc1cccc([C@@H]2[C@H](NC(=O)C3(C#N)CCOCC3)CC[N@@H+]2C2CC2)c1 ZINC000183266204 547630017 /nfs/dbraw/zinc/63/00/17/547630017.db2.gz QXJBJRZXPITBAW-RTBURBONSA-N 1 0 369.465 2.410 20 30 FEEDRO CCO[C@@H]1COCC[C@@H]1[NH2+]CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000484636141 561301742 /nfs/dbraw/zinc/30/17/42/561301742.db2.gz BQKYKUSAKIESQI-PKOBYXMFSA-N 1 0 359.470 2.334 20 30 FEEDRO C[C@@H](C#N)Oc1ccccc1NC(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000184340959 547810499 /nfs/dbraw/zinc/81/04/99/547810499.db2.gz BHNSHVJKTGFNKD-HNNXBMFYSA-N 1 0 359.474 2.125 20 30 FEEDRO [NH2+]=C(NCc1cnc(N2CCOCC2)c(F)c1)Nc1ccc2c(c1)CCC2 ZINC000184874349 547891961 /nfs/dbraw/zinc/89/19/61/547891961.db2.gz SOQWONGXTXADET-UHFFFAOYSA-N 1 0 369.444 2.473 20 30 FEEDRO CN(C)C(=O)CNC(NCc1ccc(Cl)cn1)=[NH+]C1CCCCC1 ZINC000185363848 547975125 /nfs/dbraw/zinc/97/51/25/547975125.db2.gz DOLWVUHEJHSJKZ-UHFFFAOYSA-N 1 0 351.882 2.191 20 30 FEEDRO COc1cc(C#N)ccc1S(=O)(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000185409224 547980867 /nfs/dbraw/zinc/98/08/67/547980867.db2.gz YZMLMVUBYYJNRJ-UHFFFAOYSA-N 1 0 359.451 2.107 20 30 FEEDRO C=CCN(CCc1ccccc1)C(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1 ZINC000186128490 548088946 /nfs/dbraw/zinc/08/89/46/548088946.db2.gz WGSHBGIWGCVFKW-IBGZPJMESA-N 1 0 358.530 2.453 20 30 FEEDRO N#Cc1ccc(N2CCC[C@H]([NH+]3CCC(Cn4cncn4)CC3)C2=O)cc1 ZINC000186267681 548109825 /nfs/dbraw/zinc/10/98/25/548109825.db2.gz PJJVCBOCUPQWAX-IBGZPJMESA-N 1 0 364.453 2.057 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)NC[C@@]2(O)CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000188569578 548282445 /nfs/dbraw/zinc/28/24/45/548282445.db2.gz SCZSEMGMZYCPDL-CZUORRHYSA-N 1 0 363.424 2.420 20 30 FEEDRO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@H+](C)CC2(O)CCOCC2)cc1 ZINC000189774788 548310919 /nfs/dbraw/zinc/31/09/19/548310919.db2.gz OTFDJYWRICKMGO-QGZVFWFLSA-N 1 0 359.470 2.104 20 30 FEEDRO C=CCOc1ccc(C[NH2+]CC2CN(S(=O)(=O)CC)C2)cc1Cl ZINC000190279880 548321564 /nfs/dbraw/zinc/32/15/64/548321564.db2.gz ISNWLNGOAFXEKT-UHFFFAOYSA-N 1 0 358.891 2.276 20 30 FEEDRO C#CCN(CC#C)C(=O)C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000190431032 548324396 /nfs/dbraw/zinc/32/43/96/548324396.db2.gz MOQYVCRVONGURL-UHFFFAOYSA-N 1 0 365.477 2.485 20 30 FEEDRO C=CCCOCCNC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000190620539 548329825 /nfs/dbraw/zinc/32/98/25/548329825.db2.gz JIRAKLRDQDYHKS-IBGZPJMESA-N 1 0 361.486 2.169 20 30 FEEDRO N#CC1CCN(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000190734204 548334378 /nfs/dbraw/zinc/33/43/78/548334378.db2.gz SFTBTRWZUJHAFK-IBGZPJMESA-N 1 0 356.470 2.223 20 30 FEEDRO O=S(=O)(c1ccccc1)N1CCCN(CC#Cc2ccccc2)CC1 ZINC000191960459 548353914 /nfs/dbraw/zinc/35/39/14/548353914.db2.gz UJSSGJBYLLEMLO-UHFFFAOYSA-N 1 0 354.475 2.435 20 30 FEEDRO C=C(C)CNC(=O)C(=O)Nc1cc(C)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000192151523 548359732 /nfs/dbraw/zinc/35/97/32/548359732.db2.gz XPSBJXNCMPVOJX-UHFFFAOYSA-N 1 0 358.486 2.156 20 30 FEEDRO CCOC1CC(CNC(=[NH2+])N[C@@H](C)CCCC(C)C)(N2CCOCC2)C1 ZINC000193827261 548399021 /nfs/dbraw/zinc/39/90/21/548399021.db2.gz NCEYNARRIOLQKB-ZJRDLVKKSA-N 1 0 368.566 2.375 20 30 FEEDRO N#Cc1ccccc1N1CCCN(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000194093407 548433785 /nfs/dbraw/zinc/43/37/85/548433785.db2.gz IOCQZQOBVKAGLP-QGZVFWFLSA-N 1 0 367.497 2.264 20 30 FEEDRO COc1cc(CNC(=O)Cc2ccc(C#N)cc2)ccc1OCC[NH+](C)C ZINC000194859022 548541318 /nfs/dbraw/zinc/54/13/18/548541318.db2.gz IOTNMKZPMCRWGM-UHFFFAOYSA-N 1 0 367.449 2.366 20 30 FEEDRO CN1CCN(S(=O)(=O)Cc2cccc(C#N)c2)[C@@H](c2ccccc2)C1 ZINC000195547657 548654845 /nfs/dbraw/zinc/65/48/45/548654845.db2.gz LUDOIJYPZODUSO-LJQANCHMSA-N 1 0 355.463 2.377 20 30 FEEDRO Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3[C@H](C)C[C@@H]4CCCC[C@H]43)CC2)o1 ZINC000245458941 548925937 /nfs/dbraw/zinc/92/59/37/548925937.db2.gz VBVDCJIQJQCZRC-UWWQBHOKSA-N 1 0 371.485 2.156 20 30 FEEDRO C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)Cc2cccc(OCC#N)c2)C[C@@H](C)O1 ZINC000245628834 548962153 /nfs/dbraw/zinc/96/21/53/548962153.db2.gz RUMXEYHMGMVAJX-ZHALLVOQSA-N 1 0 371.481 2.232 20 30 FEEDRO C[N@@H+]1CC[C@H](NS(=O)(=O)Cc2cccc(C#N)c2)[C@H]1c1ccccc1 ZINC000245650804 548966934 /nfs/dbraw/zinc/96/69/34/548966934.db2.gz MUFCOCNUSAFLBR-RBUKOAKNSA-N 1 0 355.463 2.423 20 30 FEEDRO N#Cc1cc(F)c(C(=O)NC[C@@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)c(F)c1 ZINC000245996042 549033433 /nfs/dbraw/zinc/03/34/33/549033433.db2.gz XQMWXWMGQUPKKF-HOTGVXAUSA-N 1 0 371.387 2.202 20 30 FEEDRO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCO[C@@H]2CC[C@@H](OC)C[C@H]21 ZINC000246061668 549043139 /nfs/dbraw/zinc/04/31/39/549043139.db2.gz BICWYGZHMJSKNT-ANTGDGSKSA-N 1 0 361.482 2.423 20 30 FEEDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)Nc1ccc(F)cc1C#N ZINC000246094927 549051714 /nfs/dbraw/zinc/05/17/14/549051714.db2.gz HNMPWKLKPLYMCA-MJBXVCDLSA-N 1 0 360.433 2.118 20 30 FEEDRO C[C@H](CNC(=O)C(=O)Nc1cc(C#N)ccc1Cl)[N@@H+]1CCC[C@@H](C)C1 ZINC000246284459 549096024 /nfs/dbraw/zinc/09/60/24/549096024.db2.gz UCHXRLDOWJZISS-CHWSQXEVSA-N 1 0 362.861 2.387 20 30 FEEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 ZINC000246378576 549118949 /nfs/dbraw/zinc/11/89/49/549118949.db2.gz JVHOGWZKQKQFCC-KSZLIROESA-N 1 0 359.518 2.472 20 30 FEEDRO Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N3CC[N@H+](C)[C@@H](C(C)C)C3)C2)n1 ZINC000489401794 561410136 /nfs/dbraw/zinc/41/01/36/561410136.db2.gz YCVXBIFRAUWVHX-RBUKOAKNSA-N 1 0 369.513 2.277 20 30 FEEDRO C[N@@H+]1CCC[C@H](CNS(=O)(=O)CC2(C#N)CC2)[C@H]1c1cccs1 ZINC000248626673 549470735 /nfs/dbraw/zinc/47/07/35/549470735.db2.gz FZHIIRVBKZILJT-HIFRSBDPSA-N 1 0 353.513 2.354 20 30 FEEDRO CO[C@@H]1CC[C@@H]2OCCN([C@H]3CCCN(c4ccc(C#N)cc4)C3=O)[C@@H]2C1 ZINC000248734758 549493064 /nfs/dbraw/zinc/49/30/64/549493064.db2.gz KKHOSXYXWAJQQX-WCIQWLHISA-N 1 0 369.465 2.322 20 30 FEEDRO CCO[C@@H]1C[C@@](CO)([NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1(C)C ZINC000248757434 549496754 /nfs/dbraw/zinc/49/67/54/549496754.db2.gz PXCANAUQYJCAET-UEXGIBASSA-N 1 0 371.481 2.209 20 30 FEEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)[C@@H](C)C1 ZINC000253544301 549692561 /nfs/dbraw/zinc/69/25/61/549692561.db2.gz NHHWBZREDYLGBA-UGSOOPFHSA-N 1 0 358.486 2.397 20 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/nfs/dbraw/zinc/89/01/72/549890172.db2.gz UUPGGXOYFPTOCX-UHFFFAOYSA-N 1 0 356.495 2.340 20 30 FEEDRO O=S1(=O)CC[C@@H](CNC(NCc2ccco2)=[NH+]C2CCCCC2)C1 ZINC000263261598 549890252 /nfs/dbraw/zinc/89/02/52/549890252.db2.gz SQYWFYMOUXXMML-AWEZNQCLSA-N 1 0 353.488 2.082 20 30 FEEDRO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@H]1N2S(=O)(=O)c1ccc(C#N)nc1 ZINC000263647061 549912455 /nfs/dbraw/zinc/91/24/55/549912455.db2.gz AKZYLPJSRHEHOW-PKOBYXMFSA-N 1 0 368.462 2.258 20 30 FEEDRO CC(C)CCNC(=[NH2+])NCc1ccc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000264069086 549974953 /nfs/dbraw/zinc/97/49/53/549974953.db2.gz CPCWVASMKVZZDW-IYBDPMFKSA-N 1 0 360.502 2.386 20 30 FEEDRO CCOC(=O)N1CCC(NC(=[NH2+])NCc2cccc3cccnc32)CC1 ZINC000264079759 549976841 /nfs/dbraw/zinc/97/68/41/549976841.db2.gz GWMGNRWUAYXTOQ-UHFFFAOYSA-N 1 0 355.442 2.260 20 30 FEEDRO COc1ccc(NC(=[NH2+])NCc2ccccc2CN2CCOCC2)cc1 ZINC000264090294 549977944 /nfs/dbraw/zinc/97/79/44/549977944.db2.gz KUTASPMBUCQFJY-UHFFFAOYSA-N 1 0 354.454 2.454 20 30 FEEDRO COc1cc(CNC(=[NH2+])Nc2ccccc2)ccc1OCC(=O)N(C)C ZINC000264116595 549980655 /nfs/dbraw/zinc/98/06/55/549980655.db2.gz SYDQJWDEDKDNBG-UHFFFAOYSA-N 1 0 356.426 2.089 20 30 FEEDRO COc1ccc(NC(=[NH2+])NC[C@H](O)COc2ccc(F)cc2)cc1OC ZINC000264124006 549981799 /nfs/dbraw/zinc/98/17/99/549981799.db2.gz VXLGBALTQOPBDW-AWEZNQCLSA-N 1 0 363.389 2.009 20 30 FEEDRO [NH2+]=C(NCc1cccc(C(F)(F)F)c1)N1CCN(c2ncccn2)CC1 ZINC000264138874 549983866 /nfs/dbraw/zinc/98/38/66/549983866.db2.gz VTNYEWYGDKPUSI-UHFFFAOYSA-N 1 0 364.375 2.132 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)CC1 ZINC000264367304 549994529 /nfs/dbraw/zinc/99/45/29/549994529.db2.gz QDWXSYONLHBZEG-UHFFFAOYSA-N 1 0 367.497 2.036 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)Nc2ccc(OCc3noc(C)n3)cc2)CC1 ZINC000264453435 549996660 /nfs/dbraw/zinc/99/66/60/549996660.db2.gz CZZRVPUQRKAHTK-UHFFFAOYSA-N 1 0 354.410 2.241 20 30 FEEDRO C=CCOc1cccc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)c1 ZINC000264510757 549997288 /nfs/dbraw/zinc/99/72/88/549997288.db2.gz SYYVOBCFVZAAFG-QGZVFWFLSA-N 1 0 357.454 2.277 20 30 FEEDRO CC[NH+](CC)Cc1cccc(NC(=O)CCNC(=O)C2N=CC=CC2=O)c1 ZINC000265011484 550004905 /nfs/dbraw/zinc/00/49/05/550004905.db2.gz GVGHHCIKIHEJNW-VXPUYCOJSA-N 1 0 370.453 2.383 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)NC[C@H]1CCc2nnc(C)n2C1)C(C)C ZINC000265460913 550009886 /nfs/dbraw/zinc/00/98/86/550009886.db2.gz VSMQIXNJFAYIKZ-MSOLQXFVSA-N 1 0 374.533 2.147 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc3nc(C)sc3c2)CC1 ZINC000266674099 550023014 /nfs/dbraw/zinc/02/30/14/550023014.db2.gz JMTWNGDMNDGKGN-UHFFFAOYSA-N 1 0 358.467 2.310 20 30 FEEDRO C[C@H](NC(=O)CON=C(N)c1ccc(C[NH+](C)C)cc1)c1ccccc1 ZINC000266991177 550026633 /nfs/dbraw/zinc/02/66/33/550026633.db2.gz BAOUXUCRQVBCQV-HNNXBMFYSA-N 1 0 354.454 2.263 20 30 FEEDRO CN(Cc1ccccc1F)C(=O)CON=C(N)c1ccc(C[NH+](C)C)cc1 ZINC000266994955 550026692 /nfs/dbraw/zinc/02/66/92/550026692.db2.gz DHRFWBDFSVTNBO-UHFFFAOYSA-N 1 0 372.444 2.183 20 30 FEEDRO CC(C)(C)S(=O)(=O)CCNC(=[NH2+])NCc1cccc(C(F)(F)F)c1 ZINC000267402439 550031045 /nfs/dbraw/zinc/03/10/45/550031045.db2.gz GGPWEXCWTOPMQQ-UHFFFAOYSA-N 1 0 365.421 2.323 20 30 FEEDRO COC[C@@H](C)NC(=[NH2+])NCCOc1ncc(C(F)(F)F)cc1Cl ZINC000267417840 550031078 /nfs/dbraw/zinc/03/10/78/550031078.db2.gz JQESBKXFPMGBHR-MRVPVSSYSA-N 1 0 354.760 2.072 20 30 FEEDRO CCOC(=O)N1CCC(NC(=[NH2+])NCCc2ccc(C)c(OC)c2)CC1 ZINC000267416797 550031098 /nfs/dbraw/zinc/03/10/98/550031098.db2.gz JKMOBMRFGUUCGJ-UHFFFAOYSA-N 1 0 362.474 2.071 20 30 FEEDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)Nc1ccccc1SCCC#N ZINC000268235065 550037942 /nfs/dbraw/zinc/03/79/42/550037942.db2.gz ZGCYQTURXJMCPL-CJNGLKHVSA-N 1 0 372.494 2.230 20 30 FEEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(C#N)cc2Cl)C[C@@H]1C ZINC000491470995 561445922 /nfs/dbraw/zinc/44/59/22/561445922.db2.gz KKBXXBZWCPEJRM-GXTWGEPZSA-N 1 0 362.861 2.481 20 30 FEEDRO COc1ccc(CNC(=[NH2+])NCCOc2ccc(Cl)cn2)cc1OC ZINC000268438784 550065756 /nfs/dbraw/zinc/06/57/56/550065756.db2.gz LCMNEDDCZPLSGZ-UHFFFAOYSA-N 1 0 364.833 2.236 20 30 FEEDRO NC(=O)[C@H]1CC[C@H](CNC(=[NH2+])Nc2cccc(Oc3ccccc3)c2)O1 ZINC000268454168 550068602 /nfs/dbraw/zinc/06/86/02/550068602.db2.gz WDOSYHXXYDEHRO-IAGOWNOFSA-N 1 0 354.410 2.238 20 30 FEEDRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(C#N)cc2Cl)C1 ZINC000491411706 561445316 /nfs/dbraw/zinc/44/53/16/561445316.db2.gz ABTSDMHCVHISCN-HNNXBMFYSA-N 1 0 374.872 2.340 20 30 FEEDRO C#CCOc1cccc(NC(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c1 ZINC000269089228 550153615 /nfs/dbraw/zinc/15/36/15/550153615.db2.gz BNDXMLROUWRSCG-OALUTQOASA-N 1 0 357.454 2.198 20 30 FEEDRO N#CCc1cccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)c1 ZINC000270862208 550314642 /nfs/dbraw/zinc/31/46/42/550314642.db2.gz NEAOGIQLCXOUPE-RTWAWAEBSA-N 1 0 363.461 2.365 20 30 FEEDRO C=C(Cl)CN[C@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000271555432 550384683 /nfs/dbraw/zinc/38/46/83/550384683.db2.gz WPLSTQACGGQNEF-CQSZACIVSA-N 1 0 359.923 2.320 20 30 FEEDRO C[N@H+]1CC=C(CNC(=O)C(=O)Nc2ccccc2SCCC#N)CC1 ZINC000271895335 550409160 /nfs/dbraw/zinc/40/91/60/550409160.db2.gz NTVRCTSRRUGNNM-UHFFFAOYSA-N 1 0 358.467 2.009 20 30 FEEDRO CCOC(=O)N1CCC([NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000272228976 550430490 /nfs/dbraw/zinc/43/04/90/550430490.db2.gz QXPJYUYGLVGGLR-GOSISDBHSA-N 1 0 370.453 2.264 20 30 FEEDRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)c1ccccc1Oc1ccccc1C#N ZINC000272483859 550451781 /nfs/dbraw/zinc/45/17/81/550451781.db2.gz GWIAXBUIEDGUIO-KRWDZBQOSA-N 1 0 364.449 2.326 20 30 FEEDRO COc1cc(C#N)ccc1OCCCC(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000272567944 550458019 /nfs/dbraw/zinc/45/80/19/550458019.db2.gz VAHVYWVYYAPCCB-IRXDYDNUSA-N 1 0 357.454 2.278 20 30 FEEDRO C=CCN(CC=C)C(=O)C[N@H+]1CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000272594677 550459972 /nfs/dbraw/zinc/45/99/72/550459972.db2.gz XRHVOKUKSFLCKA-HZPDHXFCSA-N 1 0 351.491 2.422 20 30 FEEDRO CC1(C#N)CCN(C(=O)C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)CC1 ZINC000272640585 550462500 /nfs/dbraw/zinc/46/25/00/550462500.db2.gz FSPCUYDYRIJMPW-UHFFFAOYSA-N 1 0 368.481 2.416 20 30 FEEDRO COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](C)C1=CC[N@H+](C)CC1 ZINC000273018036 550480705 /nfs/dbraw/zinc/48/07/05/550480705.db2.gz SXESXEPPXWPZES-MRXNPFEDSA-N 1 0 356.470 2.367 20 30 FEEDRO N#Cc1cc([N+](=O)[O-])cnc1NCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000273048199 550482363 /nfs/dbraw/zinc/48/23/63/550482363.db2.gz BAQBCXPGEJJAPE-QGZVFWFLSA-N 1 0 367.409 2.430 20 30 FEEDRO N#Cc1ccccc1CN1C(=O)N[C@]2(CC[N@H+](Cc3ccccc3)C2)C1=O ZINC000274302811 550531747 /nfs/dbraw/zinc/53/17/47/550531747.db2.gz FXFPRKOVDIYXTF-NRFANRHFSA-N 1 0 360.417 2.255 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)CCC(=O)c2ccc3c(c2)CCC(=O)N3)CC1 ZINC000274334962 550533270 /nfs/dbraw/zinc/53/32/70/550533270.db2.gz KGLIVAWCSZTONF-UHFFFAOYSA-N 1 0 369.465 2.301 20 30 FEEDRO C=CCCCCNC(=O)C(=O)Nc1ccc(C)c(NC(=O)CC[NH+](C)C)c1 ZINC000274486325 550540033 /nfs/dbraw/zinc/54/00/33/550540033.db2.gz GLAXXQAZYKZIIQ-UHFFFAOYSA-N 1 0 374.485 2.296 20 30 FEEDRO CC[NH+](CC)Cc1ccc(NC(=O)CCNC(=O)C2N=CC=CC2=O)cc1 ZINC000276158777 550577265 /nfs/dbraw/zinc/57/72/65/550577265.db2.gz FDNPTTRCZFDWPX-VXPUYCOJSA-N 1 0 370.453 2.383 20 30 FEEDRO C#CCOc1ccc(C[NH2+]C2CCN(S(=O)(=O)C(C)(C)C)CC2)cc1 ZINC000276886959 550607231 /nfs/dbraw/zinc/60/72/31/550607231.db2.gz FSANYBOQKOMGSI-UHFFFAOYSA-N 1 0 364.511 2.381 20 30 FEEDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(S(=O)(=O)c2cccnc2C#N)C1 ZINC000277010384 550621630 /nfs/dbraw/zinc/62/16/30/550621630.db2.gz LIVGTSLTGYIPBS-HOTGVXAUSA-N 1 0 362.499 2.228 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N[C@H](Cc2nc(C)no2)c2ccccc2)CC1 ZINC000277120467 550634268 /nfs/dbraw/zinc/63/42/68/550634268.db2.gz HTDZJCPJEYHFOW-GOSISDBHSA-N 1 0 352.438 2.123 20 30 FEEDRO C=CC[C@H]1[N@@H+](CC(=O)NCc2ccc(OCC(N)=O)cc2)CCCC1(C)C ZINC000277702490 550703849 /nfs/dbraw/zinc/70/38/49/550703849.db2.gz HVZTXWMIRKOSEJ-GOSISDBHSA-N 1 0 373.497 2.234 20 30 FEEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000277967958 550734048 /nfs/dbraw/zinc/73/40/48/550734048.db2.gz PXKAVIFLRXCAOS-MRXNPFEDSA-N 1 0 356.470 2.341 20 30 FEEDRO Cc1cc(S(N)(=O)=O)ccc1CNC(=[NH2+])N[C@@H](C)CCCC(C)C ZINC000278039932 550742011 /nfs/dbraw/zinc/74/20/11/550742011.db2.gz RZNSMKFBEGWYND-AWEZNQCLSA-N 1 0 354.520 2.262 20 30 FEEDRO C=CCOc1ccc(C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)cc1OC ZINC000278415727 550783236 /nfs/dbraw/zinc/78/32/36/550783236.db2.gz FSPMNDUBPLMMPM-MRXNPFEDSA-N 1 0 362.470 2.491 20 30 FEEDRO C[NH+](C)CCCOc1cnccc1CNC(=O)CNc1cccc(C#N)c1 ZINC000495097580 561482315 /nfs/dbraw/zinc/48/23/15/561482315.db2.gz HYTHWVZJPIOZKM-UHFFFAOYSA-N 1 0 367.453 2.012 20 30 FEEDRO C#CCOc1ccccc1NC(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC000278796063 550822812 /nfs/dbraw/zinc/82/28/12/550822812.db2.gz YQXBQIZPVGRDNN-INIZCTEOSA-N 1 0 357.454 2.416 20 30 FEEDRO Cc1ccc(C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)c(=O)n1C ZINC000279398861 550885642 /nfs/dbraw/zinc/88/56/42/550885642.db2.gz CSPNHEJTTTYRHN-UHFFFAOYSA-N 1 0 350.466 2.320 20 30 FEEDRO COc1ccc(C[NH2+]CC2(S(C)(=O)=O)CCC2)cc1OCCCC#N ZINC000279671186 550914976 /nfs/dbraw/zinc/91/49/76/550914976.db2.gz HRXQROFRPOSQJK-UHFFFAOYSA-N 1 0 366.483 2.435 20 30 FEEDRO C[NH+]1CCC([C@@H]2CCN(C(=O)[C@H](C#N)Cc3ccc(C#N)cc3)C2)CC1 ZINC000279888450 550939721 /nfs/dbraw/zinc/93/97/21/550939721.db2.gz CURCGEKEQYDNQI-UXHICEINSA-N 1 0 350.466 2.431 20 30 FEEDRO CCS(=O)(=O)c1ccc(CNC(=[NH2+])Nc2ccc(OC)cc2)s1 ZINC000280038042 550954917 /nfs/dbraw/zinc/95/49/17/550954917.db2.gz QIMVNYVAWYHNJB-UHFFFAOYSA-N 1 0 353.469 2.477 20 30 FEEDRO C[S@@](=O)C1(C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)CCC1 ZINC000280527402 551004030 /nfs/dbraw/zinc/00/40/30/551004030.db2.gz BQJVECWQNFPDSC-RUZDIDTESA-N 1 0 357.483 2.250 20 30 FEEDRO Cc1cc(N(CCC#N)C(=O)C[N@@H+]2CC[C@@](C)(C(N)=O)C2)ccc1Cl ZINC000280816002 551035356 /nfs/dbraw/zinc/03/53/56/551035356.db2.gz UJEBVBTVDAQBHJ-GOSISDBHSA-N 1 0 362.861 2.092 20 30 FEEDRO C[C@@]1(C(N)=O)CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)C1 ZINC000280826284 551036509 /nfs/dbraw/zinc/03/65/09/551036509.db2.gz VLACOYURBUYNSP-GOSISDBHSA-N 1 0 360.483 2.024 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)Nc1cnc(C(C)C)nc1)C(C)C ZINC000280837814 551037588 /nfs/dbraw/zinc/03/75/88/551037588.db2.gz WUKHJHNUDLYVNU-QGZVFWFLSA-N 1 0 373.501 2.353 20 30 FEEDRO COc1ccc([C@@H](C)[C@@H](C)[NH2+]CCNC(=O)C2N=CC=CC2=O)cc1OC ZINC000280941147 551047845 /nfs/dbraw/zinc/04/78/45/551047845.db2.gz QVVAQDYDIZULQJ-JAOUFLPRSA-N 1 0 373.453 2.312 20 30 FEEDRO Cc1oc(C#N)cc1C(=O)NCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000281232035 551076114 /nfs/dbraw/zinc/07/61/14/551076114.db2.gz HVTBRDJAMACWNR-KRWDZBQOSA-N 1 0 353.422 2.346 20 30 FEEDRO C[N@H+](CCC(=O)Nc1sccc1C#N)CC(=O)NCc1cccs1 ZINC000496999134 561496892 /nfs/dbraw/zinc/49/68/92/561496892.db2.gz FPWQPEDICWLZCO-UHFFFAOYSA-N 1 0 362.480 2.258 20 30 FEEDRO COc1ccc(CN2CC[C@H]([NH2+]Cc3ccc(C#N)c(OC)c3)C2=O)cc1 ZINC000281783164 551142838 /nfs/dbraw/zinc/14/28/38/551142838.db2.gz TXFCALHOELISPZ-IBGZPJMESA-N 1 0 365.433 2.466 20 30 FEEDRO C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)CCCC1(C#N)CCOCC1 ZINC000282075248 551177055 /nfs/dbraw/zinc/17/70/55/551177055.db2.gz TYXGORMYXHLAIU-HNNXBMFYSA-N 1 0 365.499 2.427 20 30 FEEDRO C=CCn1c(-c2cnn(C)c2)nnc1N1CC[NH+](C2CCCCC2)CC1 ZINC000282166783 551189348 /nfs/dbraw/zinc/18/93/48/551189348.db2.gz DKCZWCSHEOGMSI-UHFFFAOYSA-N 1 0 355.490 2.319 20 30 FEEDRO C[NH+](C)[C@H]1CCCN(S(=O)(=O)c2cccc(Br)c2C#N)C1 ZINC000283551274 551386235 /nfs/dbraw/zinc/38/62/35/551386235.db2.gz ODXVAYPDZIBBQK-NSHDSACASA-N 1 0 372.288 2.035 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCC2(c3ccc(F)cc3)CC2)CC1 ZINC000284025618 551470553 /nfs/dbraw/zinc/47/05/53/551470553.db2.gz RLWFWWJIOZIWCR-UHFFFAOYSA-N 1 0 373.472 2.130 20 30 FEEDRO C=CCOc1c(Br)cc(C[NH2+][C@@H](C)CC(N)=O)cc1OC ZINC000498353333 561523042 /nfs/dbraw/zinc/52/30/42/561523042.db2.gz LMLIEUQLTXNWET-JTQLQIEISA-N 1 0 357.248 2.376 20 30 FEEDRO C=CCOc1c(Br)cc(C[NH2+][C@H](C)CC(N)=O)cc1OC ZINC000498353334 561523128 /nfs/dbraw/zinc/52/31/28/561523128.db2.gz LMLIEUQLTXNWET-SNVBAGLBSA-N 1 0 357.248 2.376 20 30 FEEDRO CC[NH+]1CCN(c2ccc(NC(=O)Cc3noc(C)c3C#N)c(C)c2)CC1 ZINC000498551717 561528039 /nfs/dbraw/zinc/52/80/39/561528039.db2.gz APERPRNGALHBMV-UHFFFAOYSA-N 1 0 367.453 2.486 20 30 FEEDRO C=CCCN(C)C(=O)C(=O)NCc1ccccc1OCC[NH+](CC)CC ZINC000285094607 551703749 /nfs/dbraw/zinc/70/37/49/551703749.db2.gz VCMCKIUIDDOXST-UHFFFAOYSA-N 1 0 361.486 2.058 20 30 FEEDRO C[NH+](C)[C@H]1CCCN(C(=O)C2CCN(c3ccc(C#N)cc3F)CC2)C1 ZINC000285430467 551755469 /nfs/dbraw/zinc/75/54/69/551755469.db2.gz WKHXFBDMYQONMH-KRWDZBQOSA-N 1 0 358.461 2.466 20 30 FEEDRO C=CCC[C@H](NC(=O)C(=O)NC1CC[NH+](CCOC)CC1)c1ccccc1 ZINC000285591880 551779803 /nfs/dbraw/zinc/77/98/03/551779803.db2.gz SLJYHIRFNFKCOP-IBGZPJMESA-N 1 0 373.497 2.037 20 30 FEEDRO CC1CC[NH+](Cc2cccc(CNC(=O)C(=O)NCCCCC#N)c2)CC1 ZINC000285643209 551788229 /nfs/dbraw/zinc/78/82/29/551788229.db2.gz GCEJBSDELZQFHT-UHFFFAOYSA-N 1 0 370.497 2.345 20 30 FEEDRO C[C@@](C#N)(NC(=O)CN1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1)C1CC1 ZINC000285679849 551794349 /nfs/dbraw/zinc/79/43/49/551794349.db2.gz USZLFHIACLNYHB-VXKWHMMOSA-N 1 0 366.509 2.393 20 30 FEEDRO C[C@H]1CCC[N@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)[C@H]1CO ZINC000499065277 561542380 /nfs/dbraw/zinc/54/23/80/561542380.db2.gz QLUOMZJRQDSMJM-YOEHRIQHSA-N 1 0 368.399 2.266 20 30 FEEDRO C[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)CC1 ZINC000286505431 551893844 /nfs/dbraw/zinc/89/38/44/551893844.db2.gz AZIGDFAUNTUORO-IRXDYDNUSA-N 1 0 358.461 2.466 20 30 FEEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000286521014 551895609 /nfs/dbraw/zinc/89/56/09/551895609.db2.gz PBTLZYXNQQUTOR-LBPRGKRZSA-N 1 0 357.907 2.373 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2c3ccccc3CC[C@@H]2C)CC1 ZINC000286614052 551906194 /nfs/dbraw/zinc/90/61/94/551906194.db2.gz LMCMXRNHFCGUOJ-KXBFYZLASA-N 1 0 355.482 2.193 20 30 FEEDRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)C(=O)NCCCCC#N ZINC000286654509 551911010 /nfs/dbraw/zinc/91/10/10/551911010.db2.gz GPSSNXNBGMPTFX-UHFFFAOYSA-N 1 0 364.515 2.229 20 30 FEEDRO CNC(=O)OC[C@H]1CCCCN1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000286682825 551914147 /nfs/dbraw/zinc/91/41/47/551914147.db2.gz CJELHYUNBGPDNT-OAHLLOKOSA-N 1 0 355.398 2.319 20 30 FEEDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000286687684 551914574 /nfs/dbraw/zinc/91/45/74/551914574.db2.gz LPGQPLNZJXANJM-IAQYHMDHSA-N 1 0 355.410 2.084 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@H](C)Oc2ccccc2C)CC1 ZINC000286698548 551916180 /nfs/dbraw/zinc/91/61/80/551916180.db2.gz PURCAOOOFPHXIV-KRWDZBQOSA-N 1 0 373.497 2.035 20 30 FEEDRO C=CCN(CC=C)C(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000286716062 551918050 /nfs/dbraw/zinc/91/80/50/551918050.db2.gz PHXRNAOXLCCGFX-IEBWSBKVSA-N 1 0 355.482 2.356 20 30 FEEDRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)C(=O)NCCCCC#N ZINC000286744888 551921323 /nfs/dbraw/zinc/92/13/23/551921323.db2.gz NXEWDQRAVZLFKI-DZFIZOCASA-N 1 0 370.497 2.069 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@H](c3cccc(C)c3)C2)CC1 ZINC000286799569 551927342 /nfs/dbraw/zinc/92/73/42/551927342.db2.gz UWHOIOFQIKVROR-SFHVURJKSA-N 1 0 355.482 2.078 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N(C)Cc2ccc(Cl)s2)CC1 ZINC000286836121 551931650 /nfs/dbraw/zinc/93/16/50/551931650.db2.gz XTKHRKORJRRJHT-UHFFFAOYSA-N 1 0 355.891 2.127 20 30 FEEDRO N#Cc1c2c(sc1NC(=O)CCN1CCC[C@@](F)(CO)C1)CCC2 ZINC000287140885 551968507 /nfs/dbraw/zinc/96/85/07/551968507.db2.gz YFXCLOHXSJCCDD-KRWDZBQOSA-N 1 0 351.447 2.233 20 30 FEEDRO CCCN(CC[NH+]1CCCC1)C(=O)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000287253919 551981622 /nfs/dbraw/zinc/98/16/22/551981622.db2.gz JXJWDMOONIAIAR-UHFFFAOYSA-N 1 0 362.861 2.485 20 30 FEEDRO C[NH+](C)C1CCN(CCNC(=O)C(C)(C)c2cc(F)cc(C#N)c2)CC1 ZINC000287493360 552011331 /nfs/dbraw/zinc/01/13/31/552011331.db2.gz NLISBHUBMJEXKD-UHFFFAOYSA-N 1 0 360.477 2.117 20 30 FEEDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC000287503145 552012550 /nfs/dbraw/zinc/01/25/50/552012550.db2.gz UPQDNANVOCIGPH-DDUZABMNSA-N 1 0 356.445 2.123 20 30 FEEDRO CC(C)N(CC[NH+](C)C)C(=O)Nc1ccc(S(=O)(=O)[C@H](C)C#N)cc1 ZINC000287669972 552032341 /nfs/dbraw/zinc/03/23/41/552032341.db2.gz QCUIUBYWJNCQEN-CQSZACIVSA-N 1 0 366.487 2.176 20 30 FEEDRO C=CCCCN(C)C(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000287824083 552051602 /nfs/dbraw/zinc/05/16/02/552051602.db2.gz BTRPIRZFRMRKJU-IEBWSBKVSA-N 1 0 357.498 2.438 20 30 FEEDRO C=C(CNC(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1)c1ccccc1 ZINC000288057363 552082850 /nfs/dbraw/zinc/08/28/50/552082850.db2.gz PQRZZVOFCLPVSO-UHFFFAOYSA-N 1 0 356.514 2.369 20 30 FEEDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)C1 ZINC000288082099 552087713 /nfs/dbraw/zinc/08/77/13/552087713.db2.gz VWHMACJIMLVUQV-DLBZAZTESA-N 1 0 358.461 2.324 20 30 FEEDRO C=C(C)CN(CC)C(=O)C(=O)Nc1cccc(NC(=O)C[NH+](CC)CC)c1 ZINC000288102446 552091570 /nfs/dbraw/zinc/09/15/70/552091570.db2.gz OQZZDXSSCMZGTQ-UHFFFAOYSA-N 1 0 374.485 2.330 20 30 FEEDRO Cc1nc(C#N)c(N2CCC(C(=O)N3C[C@@H]([NH+]4CCCC4)C[C@H]3C)CC2)o1 ZINC000288301699 552128962 /nfs/dbraw/zinc/12/89/62/552128962.db2.gz IAYSUFRMOIADGY-PBHICJAKSA-N 1 0 371.485 2.156 20 30 FEEDRO C[C@H]1[C@@H](NC(=O)C(=O)Nc2cccc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000288536174 552170926 /nfs/dbraw/zinc/17/09/26/552170926.db2.gz XQLQSMGJHSUIJX-KXBFYZLASA-N 1 0 362.433 2.276 20 30 FEEDRO C=CCN1CC[C@H]([N@H+](C)C[C@H](O)COc2cccc3ccccc32)C1=O ZINC000499940384 561562419 /nfs/dbraw/zinc/56/24/19/561562419.db2.gz RPFASAAXHKXRIH-HKUYNNGSSA-N 1 0 354.450 2.298 20 30 FEEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1nc2c(s1)C[C@@H]([NH3+])CC2 ZINC000288764753 552208223 /nfs/dbraw/zinc/20/82/23/552208223.db2.gz ONOUXHPTSUDDEC-NSHDSACASA-N 1 0 371.466 2.120 20 30 FEEDRO COc1ccc(C[C@@H](CO)C[NH2+]Cc2ccc(OC)c(C#N)c2)cc1O ZINC000289481464 552328482 /nfs/dbraw/zinc/32/84/82/552328482.db2.gz QMSDRLNCGMSMHO-MRXNPFEDSA-N 1 0 356.422 2.222 20 30 FEEDRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)Nc1ccc(C#N)c(F)c1 ZINC000290266524 552451082 /nfs/dbraw/zinc/45/10/82/552451082.db2.gz OXJZUIDIZKVNKW-AWEZNQCLSA-N 1 0 360.433 2.407 20 30 FEEDRO Cn1c(-c2ccccn2)nnc1N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000290652657 552513193 /nfs/dbraw/zinc/51/31/93/552513193.db2.gz FBCWKLOBQRJYIT-UHFFFAOYSA-N 1 0 373.464 2.461 20 30 FEEDRO C#Cc1ccccc1CC(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000290804955 552541410 /nfs/dbraw/zinc/54/14/10/552541410.db2.gz KXNWAJMNVRTZMD-UHFFFAOYSA-N 1 0 362.473 2.484 20 30 FEEDRO C#Cc1ccccc1CC(=O)N1CCC([NH+]2CCN(C(C)C)CC2)CC1 ZINC000291519077 552633061 /nfs/dbraw/zinc/63/30/61/552633061.db2.gz UXJVBTOUPPLRHO-UHFFFAOYSA-N 1 0 353.510 2.227 20 30 FEEDRO C=CCCCS(=O)(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cn1 ZINC000291835103 552666576 /nfs/dbraw/zinc/66/65/76/552666576.db2.gz GPMYRAWRNWNMHV-UHFFFAOYSA-N 1 0 352.504 2.320 20 30 FEEDRO CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCC([C@H](O)c2ccc(OC)cc2)CC1 ZINC000291863647 552669635 /nfs/dbraw/zinc/66/96/35/552669635.db2.gz PKYFBQFDINJZRJ-IIBYNOLFSA-N 1 0 373.497 2.449 20 30 FEEDRO C[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCN(c4ccc(C#N)cc4F)C3)C2)C1 ZINC000292048362 552688222 /nfs/dbraw/zinc/68/82/22/552688222.db2.gz AQUJZVONZCZWPG-JXFKEZNVSA-N 1 0 356.445 2.078 20 30 FEEDRO C[C@H]1CN(CCS(=O)(=O)c2ccc(C#N)cc2)CC[N@@H+](C2CCC2)C1 ZINC000292087700 552692349 /nfs/dbraw/zinc/69/23/49/552692349.db2.gz FDMSZWQZJWQDIW-INIZCTEOSA-N 1 0 361.511 2.138 20 30 FEEDRO C=CCOCC[N@H+]1CCC[C@H](CNS(=O)(=O)c2ccc(C)cc2)C1 ZINC000292737911 552753828 /nfs/dbraw/zinc/75/38/28/552753828.db2.gz HAYWLKQERVJWEM-QGZVFWFLSA-N 1 0 352.500 2.188 20 30 FEEDRO C[C@@H](CNC(=O)N1CCN(c2ncccc2C#N)CC1)[N@@H+]1CCCC[C@H]1C ZINC000501533578 561599941 /nfs/dbraw/zinc/59/99/41/561599941.db2.gz RQQQPFMAUSHHBO-SJORKVTESA-N 1 0 370.501 2.048 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1sc(-c2ccccc2)nc1C ZINC000293471769 552827168 /nfs/dbraw/zinc/82/71/68/552827168.db2.gz UXSVAHUTXPRZIP-UHFFFAOYSA-N 1 0 370.478 2.128 20 30 FEEDRO C=CCC(F)(F)C(=O)NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000293477028 552827822 /nfs/dbraw/zinc/82/78/22/552827822.db2.gz SDVBCTFKNKJSGN-MRXNPFEDSA-N 1 0 365.424 2.212 20 30 FEEDRO C=CCc1cc(C[N@@H+]2CCC[C@@H](n3cc(CO)nn3)C2)cc(OC)c1O ZINC000293740752 552852036 /nfs/dbraw/zinc/85/20/36/552852036.db2.gz VUBKZMLOQHYRNE-QGZVFWFLSA-N 1 0 358.442 2.050 20 30 FEEDRO N#Cc1ccsc1NC(=O)C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000293816439 552859237 /nfs/dbraw/zinc/85/92/37/552859237.db2.gz WBFWMDYVBIYQEO-HNNXBMFYSA-N 1 0 360.483 2.472 20 30 FEEDRO C=CCN(CC=C)C(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000501728332 561604110 /nfs/dbraw/zinc/60/41/10/561604110.db2.gz GHAJAFVZUONMTH-PKOBYXMFSA-N 1 0 355.482 2.214 20 30 FEEDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NS(=O)(=O)Cc1ccc(F)cc1C#N ZINC000294174925 552887984 /nfs/dbraw/zinc/88/79/84/552887984.db2.gz JQFUUVHJOMDLTR-UONOGXRCSA-N 1 0 353.463 2.237 20 30 FEEDRO C#CCCOc1ccc(C(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)cc1 ZINC000294633962 552922336 /nfs/dbraw/zinc/92/23/36/552922336.db2.gz GHHYLDHZKZLBGY-UHFFFAOYSA-N 1 0 369.509 2.377 20 30 FEEDRO C#CCOc1ccc(C[NH2+]Cc2ccccc2OCC(=O)N(C)C)cc1 ZINC000294687923 552926889 /nfs/dbraw/zinc/92/68/89/552926889.db2.gz AKMJHWWWXZZNQW-UHFFFAOYSA-N 1 0 352.434 2.455 20 30 FEEDRO N#Cc1cnc(NCc2ccccc2C[N@H+]2CCC[C@H]2CO)c([N+](=O)[O-])c1 ZINC000294883073 552941449 /nfs/dbraw/zinc/94/14/49/552941449.db2.gz FQZGBERPWLAYAS-KRWDZBQOSA-N 1 0 367.409 2.430 20 30 FEEDRO CC[NH+]1CCC(CCNS(=O)(=O)Cc2ccc(F)cc2C#N)CC1 ZINC000295142999 552962625 /nfs/dbraw/zinc/96/26/25/552962625.db2.gz CJXYIVCEKQBXPN-UHFFFAOYSA-N 1 0 353.463 2.239 20 30 FEEDRO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)CC[N@@H+](C2CC2)C1 ZINC000296224206 553125632 /nfs/dbraw/zinc/12/56/32/553125632.db2.gz MZQTYBRENVROCT-LBPRGKRZSA-N 1 0 360.845 2.093 20 30 FEEDRO N#Cc1ccsc1NC(=O)CN(Cc1cccc(C(N)=O)c1)C1CC1 ZINC000296745835 553205989 /nfs/dbraw/zinc/20/59/89/553205989.db2.gz ONKIANCBAIYHOC-UHFFFAOYSA-N 1 0 354.435 2.322 20 30 FEEDRO C#CC[N@@H+](C)CCCNC(=O)N[C@H](c1nccn1C)c1ccc(Cl)cc1 ZINC000296863011 553222109 /nfs/dbraw/zinc/22/21/09/553222109.db2.gz KQEAJIJUWKWDGJ-KRWDZBQOSA-N 1 0 373.888 2.417 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000296871105 553222939 /nfs/dbraw/zinc/22/29/39/553222939.db2.gz LDOKNVOQZYRRKH-UHFFFAOYSA-N 1 0 372.444 2.205 20 30 FEEDRO Cc1cc(C(=O)NCc2cccnc2N(C)C)nn1-c1cccc(C#N)c1 ZINC000502922325 561630017 /nfs/dbraw/zinc/63/00/17/561630017.db2.gz YXULZKUDVIIVOO-UHFFFAOYSA-N 1 0 360.421 2.443 20 30 FEEDRO C[NH+](C)CCOc1ccc(CCNc2ncc(C#N)cc2[N+](=O)[O-])cc1 ZINC000297212374 553264150 /nfs/dbraw/zinc/26/41/50/553264150.db2.gz SDEVULZLQQMHHG-UHFFFAOYSA-N 1 0 355.398 2.456 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ncc(CC(=O)OCC)s2)CC1 ZINC000297210778 553264249 /nfs/dbraw/zinc/26/42/49/553264249.db2.gz STULAPRHGFPZCG-UHFFFAOYSA-N 1 0 366.487 2.411 20 30 FEEDRO C[C@@H]1CN(C(=O)C(=O)Nc2sc(C(C)(C)C)cc2C#N)C[C@H]1[NH+](C)C ZINC000297274891 553272100 /nfs/dbraw/zinc/27/21/00/553272100.db2.gz GLFGKOFFPABKBJ-DGCLKSJQSA-N 1 0 362.499 2.264 20 30 FEEDRO Cc1c(C#N)c(N2CC[NH+](CCC(=O)N(C)C)CC2)nc2ccccc12 ZINC000297407745 553288528 /nfs/dbraw/zinc/28/85/28/553288528.db2.gz GFCGJSYDGYIMDV-UHFFFAOYSA-N 1 0 351.454 2.015 20 30 FEEDRO C=CCN(CC=C)C(=O)C(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000297656911 553321273 /nfs/dbraw/zinc/32/12/73/553321273.db2.gz YRCQUYZJWWOBCA-UHFFFAOYSA-N 1 0 370.497 2.347 20 30 FEEDRO C=CCN(CCc1ccco1)C(=O)C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000297783014 553338297 /nfs/dbraw/zinc/33/82/97/553338297.db2.gz NPTYCXHJRRAHSJ-UHFFFAOYSA-N 1 0 373.497 2.314 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cc(-c3ccccc3)on2)CC1 ZINC000298029009 553373415 /nfs/dbraw/zinc/37/34/15/553373415.db2.gz FFNVRGNJIIOEIP-UHFFFAOYSA-N 1 0 368.437 2.437 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH+]1CCC2(CC1)OCCO2 ZINC000298278159 553407243 /nfs/dbraw/zinc/40/72/43/553407243.db2.gz AXXSSMXKRGHPGV-OAHLLOKOSA-N 1 0 350.484 2.490 20 30 FEEDRO C=CCN(CC=C)C(=O)[C@@H](C)[NH2+]Cc1ccccc1CN1CCCC1=O ZINC000298306435 553410699 /nfs/dbraw/zinc/41/06/99/553410699.db2.gz LRRJBACMSNPNNW-QGZVFWFLSA-N 1 0 355.482 2.488 20 30 FEEDRO C[NH+]1CCN(c2ccc(CNC(=O)/C=C/c3cccc(C#N)c3)cn2)CC1 ZINC000298403125 553421161 /nfs/dbraw/zinc/42/11/61/553421161.db2.gz JJROLYRFEJORBI-SOFGYWHQSA-N 1 0 361.449 2.035 20 30 FEEDRO N#CCCN(CCC#N)C(=O)C[NH2+][C@H]1CCC[C@@H]1OCc1ccccc1 ZINC000503525928 561643779 /nfs/dbraw/zinc/64/37/79/561643779.db2.gz LOUMXGXFVLEQBV-OALUTQOASA-N 1 0 354.454 2.370 20 30 FEEDRO CC(C)[C@H](CNC(=O)N[C@@H](C)c1ccc(C#N)cc1)[NH+]1CCN(C)CC1 ZINC000298766651 553470067 /nfs/dbraw/zinc/47/00/67/553470067.db2.gz ZIHGRGWECWZOOY-LPHOPBHVSA-N 1 0 357.502 2.190 20 30 FEEDRO CC[N@H+](CCNC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)C(C)C ZINC000503913444 561649774 /nfs/dbraw/zinc/64/97/74/561649774.db2.gz VJKKIAXBSZSHFI-SFHVURJKSA-N 1 0 371.485 2.083 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@@H](C)Sc1nncn1C)C(C)C ZINC000299145762 553521163 /nfs/dbraw/zinc/52/11/63/553521163.db2.gz PSOGAWBQCYMONN-CABCVRRESA-N 1 0 351.520 2.111 20 30 FEEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[NH2+]C(C)(C)CC(N)=O)sc2C1 ZINC000299198038 553529222 /nfs/dbraw/zinc/52/92/22/553529222.db2.gz FDQWRBUBFNJNDX-LLVKDONJSA-N 1 0 362.499 2.317 20 30 FEEDRO C#CCC[NH+]1CCN(CCC(=O)Nc2cccc(Br)c2)CC1 ZINC000299635332 553592670 /nfs/dbraw/zinc/59/26/70/553592670.db2.gz KEOYVQBKDBKMBC-UHFFFAOYSA-N 1 0 364.287 2.419 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000299685740 553601454 /nfs/dbraw/zinc/60/14/54/553601454.db2.gz XCHMZDIJHQOLKP-UHFFFAOYSA-N 1 0 357.414 2.243 20 30 FEEDRO CC1CC[NH+](CCCNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)CC1 ZINC000505470683 561671694 /nfs/dbraw/zinc/67/16/94/561671694.db2.gz DCZLHQZYESWHGF-LJQANCHMSA-N 1 0 351.491 2.486 20 30 FEEDRO C[N@H+](C[C@@H](O)COc1ccc(C#N)cc1)C[C@@H]1COc2ccccc2O1 ZINC000302875105 553739110 /nfs/dbraw/zinc/73/91/10/553739110.db2.gz HYZYVBUTRBSNPP-SJLPKXTDSA-N 1 0 354.406 2.070 20 30 FEEDRO CC1CCN(C(=[NH2+])NCc2ccc(C(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)CC1 ZINC000303257984 553744109 /nfs/dbraw/zinc/74/41/09/553744109.db2.gz KDZUUSFWPCPXBV-IAGOWNOFSA-N 1 0 372.513 2.483 20 30 FEEDRO C[C@@H]1[C@@H](NS(=O)(=O)c2cccc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000310790561 553754288 /nfs/dbraw/zinc/75/42/88/553754288.db2.gz QQIBVINPJMZYRF-BEFAXECRSA-N 1 0 355.463 2.500 20 30 FEEDRO CCC(=O)N1CC[C@H](NC(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)C1 ZINC000328599560 553794576 /nfs/dbraw/zinc/79/45/76/553794576.db2.gz CDVCAMHTEQZGHC-RDJZCZTQSA-N 1 0 350.507 2.298 20 30 FEEDRO C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCCN(C3CCCCC3)C2=O)CC[N@@H+]1C ZINC000328605500 553795160 /nfs/dbraw/zinc/79/51/60/553795160.db2.gz JPGYRMRXXGXAFX-BFYDXBDKSA-N 1 0 350.507 2.296 20 30 FEEDRO O=C(NCC[NH+]1CCC2(CCCCC2)CC1)N1C[C@@H]2COC[C@H](C1)O2 ZINC000328663065 553804443 /nfs/dbraw/zinc/80/44/43/553804443.db2.gz AWUNVORTBLOVNT-CALCHBBNSA-N 1 0 351.491 2.046 20 30 FEEDRO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)N3CC(=O)N(C)[C@H](C)C3)cc2)C1 ZINC000328734070 553814111 /nfs/dbraw/zinc/81/41/11/553814111.db2.gz YIEYATNAXHOGIZ-IAGOWNOFSA-N 1 0 372.513 2.495 20 30 FEEDRO C[C@@H](NC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1)c1ccncc1F ZINC000328760530 553818020 /nfs/dbraw/zinc/81/80/20/553818020.db2.gz XIEUCXPZRJCHJK-HUUCEWRRSA-N 1 0 350.438 2.240 20 30 FEEDRO O=C(CNC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)N[C@@H]1CCOc2ccccc21 ZINC000328770576 553819625 /nfs/dbraw/zinc/81/96/25/553819625.db2.gz GSJZEQLOTUBOAF-WMLDXEAASA-N 1 0 372.469 2.455 20 30 FEEDRO COc1ccccc1C(=O)NCC(=O)N1CCC[N@H+](CC2CCC2)CC1 ZINC000328875138 553836992 /nfs/dbraw/zinc/83/69/92/553836992.db2.gz RXIVGAOIKQVKPM-UHFFFAOYSA-N 1 0 359.470 2.334 20 30 FEEDRO C=CCCc1ccccc1NC(=O)C(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000505882790 561683915 /nfs/dbraw/zinc/68/39/15/561683915.db2.gz JYBKLAWMZCTQOE-GOSISDBHSA-N 1 0 373.497 2.217 20 30 FEEDRO CC1CC[NH+](C2CCC(NC(=O)N3CCCS(=O)(=O)CC3)CC2)CC1 ZINC000329015007 553865111 /nfs/dbraw/zinc/86/51/11/553865111.db2.gz PVWZSVQDSCJWER-UHFFFAOYSA-N 1 0 371.547 2.064 20 30 FEEDRO C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)NC2CC[NH+](CC3CCCC3)CC2)CC1=O ZINC000329015169 553865302 /nfs/dbraw/zinc/86/53/02/553865302.db2.gz JSQHPNRTJXZSTQ-JLSDUUJJSA-N 1 0 362.518 2.154 20 30 FEEDRO CCN(C(=O)Nc1ccnc(C(=O)N2CCN(C)CC2)c1)C1CCCC1 ZINC000329063047 553873720 /nfs/dbraw/zinc/87/37/20/553873720.db2.gz VGMCNHKDXPPJTL-UHFFFAOYSA-N 1 0 359.474 2.279 20 30 FEEDRO CN1CC[C@@H]([NH+]2CCC(NC(=O)Cc3cc(F)c(F)cc3F)CC2)C1=O ZINC000329155064 553890984 /nfs/dbraw/zinc/89/09/84/553890984.db2.gz CHCMXLUZYANPBF-MRXNPFEDSA-N 1 0 369.387 2.298 20 30 FEEDRO Cc1cccc(O[C@H](C)C(=O)NC2CC[NH+]([C@@H]3CCN(C)C3=O)CC2)c1 ZINC000329159678 553892348 /nfs/dbraw/zinc/89/23/48/553892348.db2.gz DVZHHOQIJLQVNE-CRAIPNDOSA-N 1 0 359.470 2.414 20 30 FEEDRO O=C(Nc1cccc(C[NH+]2CCC(O)CC2)c1)[C@H]1CCc2n[nH]nc2C1 ZINC000329166180 553893352 /nfs/dbraw/zinc/89/33/52/553893352.db2.gz HYGKHNFEWMBKKN-AWEZNQCLSA-N 1 0 355.442 2.155 20 30 FEEDRO CN(CC1CC[NH+](C)CC1)C(=O)N[C@H]1CC(=O)N(C2CCCCC2)C1 ZINC000329167309 553894083 /nfs/dbraw/zinc/89/40/83/553894083.db2.gz IJJNMQDGUHRIOK-INIZCTEOSA-N 1 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CC(C)c1nnc2n1C[C@H]([NH+]=C([O-])N1CC[C@@H]([NH+]3CCCCC3)C1)CC2 ZINC000329269404 553914473 /nfs/dbraw/zinc/91/44/73/553914473.db2.gz FDVJWQKKQNQJRY-HZPDHXFCSA-N 1 0 360.506 2.191 20 30 FEEDRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)c1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC000329272933 553915061 /nfs/dbraw/zinc/91/50/61/553915061.db2.gz IAFXSUBLGKZZPA-QAPCUYQASA-N 1 0 374.485 2.394 20 30 FEEDRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)N1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000329294146 553918899 /nfs/dbraw/zinc/91/88/99/553918899.db2.gz RUWGQFKTAYUSBK-ZBFHGGJFSA-N 1 0 358.490 2.292 20 30 FEEDRO CO[C@@H]1[C@H](C)[C@@H](NC(=O)N2CCC(CC[NH+]3CCOCC3)CC2)C1(C)C ZINC000329303667 553921968 /nfs/dbraw/zinc/92/19/68/553921968.db2.gz WXMZHWBVABMGFH-KBAYOESNSA-N 1 0 367.534 2.394 20 30 FEEDRO Cc1noc([C@@H]2CCCCN2C(=O)NC[C@@]2([NH+](C)C)CCSC2)n1 ZINC000329303814 553921983 /nfs/dbraw/zinc/92/19/83/553921983.db2.gz XQRGXVNSKRWTMS-BBRMVZONSA-N 1 0 353.492 2.256 20 30 FEEDRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)COc1cccc2c1OC(C)(C)C2 ZINC000329313433 553923400 /nfs/dbraw/zinc/92/34/00/553923400.db2.gz QBODLBJYUMNNQS-OAHLLOKOSA-N 1 0 361.486 2.371 20 30 FEEDRO Cc1nc([C@@H]2CCCN2C(=O)NC2CC[NH+](Cc3ccccn3)CC2)no1 ZINC000329397712 553938365 /nfs/dbraw/zinc/93/83/65/553938365.db2.gz VAPLAGMFHRDRJD-KRWDZBQOSA-N 1 0 370.457 2.489 20 30 FEEDRO CC[C@@H]1CN(C(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2ccnn2C)C[C@H](C)O1 ZINC000329424842 553944517 /nfs/dbraw/zinc/94/45/17/553944517.db2.gz GDMPWMVCPVBQLG-LISAXSMJSA-N 1 0 363.506 2.216 20 30 FEEDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)CNC(=O)c3cc(-c4ccccc4)on3)[C@H]2C1 ZINC000329459245 553950799 /nfs/dbraw/zinc/95/07/99/553950799.db2.gz ROXSFRLKIWOYTL-PBHICJAKSA-N 1 0 368.437 2.199 20 30 FEEDRO Cc1ccncc1N1CCN(C(=O)NC2CC[NH+](CC3CC3)CC2)CC1 ZINC000329506059 553958829 /nfs/dbraw/zinc/95/88/29/553958829.db2.gz WTQHWYKHMYAFJB-UHFFFAOYSA-N 1 0 357.502 2.300 20 30 FEEDRO COCCC1(C)CN(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)C1 ZINC000329651826 553982919 /nfs/dbraw/zinc/98/29/19/553982919.db2.gz KMIBJZFMAOQUPV-IAGOWNOFSA-N 1 0 353.507 2.027 20 30 FEEDRO Cc1ncc(CN2CCN(C(=O)N[C@@H](C)C3=CC[N@H+](C)CC3)CC2)s1 ZINC000329713981 553994154 /nfs/dbraw/zinc/99/41/54/553994154.db2.gz SHTYIPDVQMENDK-AWEZNQCLSA-N 1 0 363.531 2.134 20 30 FEEDRO C[NH+](C)C[C@@H]1CN(C(=O)N[C@H]2c3ccccc3CC23CCOCC3)CCO1 ZINC000329721910 553995374 /nfs/dbraw/zinc/99/53/74/553995374.db2.gz FDRRUFDERBVTQA-MJGOQNOKSA-N 1 0 373.497 2.257 20 30 FEEDRO C[C@]1(NC(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CCO[C@@H]1C1CC1 ZINC000329765549 554002354 /nfs/dbraw/zinc/00/23/54/554002354.db2.gz XCDIMRMQTRNBST-RMJJICAUSA-N 1 0 365.518 2.216 20 30 FEEDRO CC(C)O[C@@H]1C[C@H](NC(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C1(C)C ZINC000329790565 554007046 /nfs/dbraw/zinc/00/70/46/554007046.db2.gz CVCIBKJDIHUCGL-VSZNYVQBSA-N 1 0 367.534 2.460 20 30 FEEDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N2CCS(=O)(=O)C3(CCCCC3)C2)C1 ZINC000329806085 554009002 /nfs/dbraw/zinc/00/90/02/554009002.db2.gz LCBKCVXBFXIDTC-JKSUJKDBSA-N 1 0 371.547 2.207 20 30 FEEDRO CCC[NH+]1CCC(NC(=O)N(C)[C@@H]2CCCN(c3cccnn3)C2)CC1 ZINC000329818776 554011383 /nfs/dbraw/zinc/01/13/83/554011383.db2.gz XKQKDWMGGLSCDO-QGZVFWFLSA-N 1 0 360.506 2.166 20 30 FEEDRO C[C@H](CNC(=O)N[C@@H]1CCc2c[nH]nc2C1)[N@@H+]1CCc2ccccc2C1 ZINC000329816250 554011719 /nfs/dbraw/zinc/01/17/19/554011719.db2.gz DWQVPLRBWGLYCO-RDTXWAMCSA-N 1 0 353.470 2.217 20 30 FEEDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)N[C@@H]3CC(=O)N(C)C3)cc2)C1 ZINC000329931663 554034331 /nfs/dbraw/zinc/03/43/31/554034331.db2.gz PDWWFKPYYMSPFH-JTDSTZFVSA-N 1 0 372.513 2.399 20 30 FEEDRO CC(=O)N1CCC[C@H](CNC(=O)NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)C1 ZINC000329953428 554037863 /nfs/dbraw/zinc/03/78/63/554037863.db2.gz JIEHFTGJPRIPJG-SUMDDJOVSA-N 1 0 352.523 2.259 20 30 FEEDRO C[C@H](NC(=O)N1C[C@H](O)C[C@H]1C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000329953240 554038159 /nfs/dbraw/zinc/03/81/59/554038159.db2.gz NRUJNLRGLZNPKC-IJEWVQPXSA-N 1 0 364.465 2.008 20 30 FEEDRO C[NH+]1CCN(CCC(C)(C)NC(=O)c2cc3c([nH]c2=O)CCCC3=O)CC1 ZINC000329967428 554040866 /nfs/dbraw/zinc/04/08/66/554040866.db2.gz SLTKMBNPNROODL-UHFFFAOYSA-N 1 0 374.485 2.027 20 30 FEEDRO O=C(NC[C@@H](O)C1CCOCC1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000330008013 554048520 /nfs/dbraw/zinc/04/85/20/554048520.db2.gz FBDBNKFBNGRWPO-GOSISDBHSA-N 1 0 353.507 2.075 20 30 FEEDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CCC(c2nnc3n2CCCC3)CC1 ZINC000330091440 554062554 /nfs/dbraw/zinc/06/25/54/554062554.db2.gz PXSFJNHEKQURIM-PBHICJAKSA-N 1 0 372.517 2.191 20 30 FEEDRO O=C(NC1CC[NH+](CC2CCCC2)CC1)N1CC[C@H](N2CCCC2=O)C1 ZINC000330103755 554065232 /nfs/dbraw/zinc/06/52/32/554065232.db2.gz ITYJXVDFTVOOEX-SFHVURJKSA-N 1 0 362.518 2.252 20 30 FEEDRO O=C(N[C@@H]1CCCc2c[nH]nc21)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000330111895 554066585 /nfs/dbraw/zinc/06/65/85/554066585.db2.gz BKSGXSAORQTPOR-QGZVFWFLSA-N 1 0 361.490 2.135 20 30 FEEDRO CC(C)C(=O)N1CCN(C(=O)NC2CC[NH+](C3CCCC3)CC2)CC1 ZINC000330129714 554070235 /nfs/dbraw/zinc/07/02/35/554070235.db2.gz OLWGTQDZEIRFJL-UHFFFAOYSA-N 1 0 350.507 2.108 20 30 FEEDRO CC(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000330207511 554085611 /nfs/dbraw/zinc/08/56/11/554085611.db2.gz GAIBWCYVLHRNSG-RYRKJORJSA-N 1 0 353.507 2.147 20 30 FEEDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CCOC3(CCOCC3)C2)C1 ZINC000330242031 554091729 /nfs/dbraw/zinc/09/17/29/554091729.db2.gz FYQHVLWWFDSFFZ-DLBZAZTESA-N 1 0 353.507 2.292 20 30 FEEDRO Cc1nc(CNC(=O)N2CC[N@H+](C3CCOCC3)C[C@@H]2C)sc1C ZINC000330273887 554097228 /nfs/dbraw/zinc/09/72/28/554097228.db2.gz ZWBGCXJOKHJENX-LBPRGKRZSA-N 1 0 352.504 2.359 20 30 FEEDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NCCOC1CCCCC1 ZINC000330270658 554097362 /nfs/dbraw/zinc/09/73/62/554097362.db2.gz UPATVZRVNPOGQO-INIZCTEOSA-N 1 0 353.507 2.435 20 30 FEEDRO O=C(NCC1([NH+]2CCSCC2)CCCCC1)N1CCC[C@@H]1CCO ZINC000330280711 554098347 /nfs/dbraw/zinc/09/83/47/554098347.db2.gz SVSCADJRIMUEDO-MRXNPFEDSA-N 1 0 355.548 2.499 20 30 FEEDRO Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NC(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000330332867 554106968 /nfs/dbraw/zinc/10/69/68/554106968.db2.gz PGHQEDPIEYUEJB-OWQGQXMQSA-N 1 0 363.506 2.102 20 30 FEEDRO O=C(NCc1ccccc1C[NH+]1CCC(O)CC1)c1cc2n(n1)CCCO2 ZINC000330359642 554111695 /nfs/dbraw/zinc/11/16/95/554111695.db2.gz WGUPRKWPWGWXBD-UHFFFAOYSA-N 1 0 370.453 2.127 20 30 FEEDRO CC1CC[NH+](C[C@H](O)CNC(=O)c2cncc(Br)c2)CC1 ZINC000330372675 554112623 /nfs/dbraw/zinc/11/26/23/554112623.db2.gz KLLOTJAGWXMTNK-CQSZACIVSA-N 1 0 356.264 2.242 20 30 FEEDRO CN(C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1)C1CCCC1 ZINC000330399271 554116239 /nfs/dbraw/zinc/11/62/39/554116239.db2.gz CVUZCPUQDITGGE-UHFFFAOYSA-N 1 0 352.523 2.402 20 30 FEEDRO CC(C)CNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1[C@@H]1C[C@H](C)CC[C@H]1O ZINC000330402355 554116836 /nfs/dbraw/zinc/11/68/36/554116836.db2.gz LASBZYBACNBYGW-DRRXZNNHSA-N 1 0 353.507 2.323 20 30 FEEDRO COC(=O)c1cc(NC(=O)N2CC[N@H+](C[C@@H](C)O)C[C@H]2C)cc(C)c1C ZINC000330530428 554134198 /nfs/dbraw/zinc/13/41/98/554134198.db2.gz GGSUPEIHIXLIDQ-ZIAGYGMSSA-N 1 0 363.458 2.022 20 30 FEEDRO C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CCC[C@@H](c2nc(C(F)(F)F)cn2C)C1 ZINC000330550280 554136669 /nfs/dbraw/zinc/13/66/69/554136669.db2.gz WXHFZCMTODBMKM-QWHCGFSZSA-N 1 0 371.407 2.379 20 30 FEEDRO COc1c(NC(=O)N2CC[C@@H]([NH+](C)C)C2)cc(Cl)cc1C(=O)N(C)C ZINC000330578390 554140975 /nfs/dbraw/zinc/14/09/75/554140975.db2.gz RZCHRRGVXYIYKF-GFCCVEGCSA-N 1 0 368.865 2.232 20 30 FEEDRO CC(=O)c1ccc(NC(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@@H]2C)cc1Cl ZINC000330585062 554141741 /nfs/dbraw/zinc/14/17/41/554141741.db2.gz RVVSGJTZGDQDBX-NWDGAFQWSA-N 1 0 353.850 2.475 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H]2CCC[C@H](C(=O)NC(C)C)C2)CC1 ZINC000330808198 554173957 /nfs/dbraw/zinc/17/39/57/554173957.db2.gz LZZKPTVTOQKCKX-DOTOQJQBSA-N 1 0 350.507 2.224 20 30 FEEDRO COC(=O)c1cc(NC(=O)N2C[C@@H]([NH+](C)C)[C@@H](SC)C2)ccc1C ZINC000330835403 554177321 /nfs/dbraw/zinc/17/73/21/554177321.db2.gz WSKDZJNHBFNZFN-CABCVRRESA-N 1 0 351.472 2.305 20 30 FEEDRO COc1ccc(NC(=O)NCC2(O)CC[NH+](C)CC2)c(Br)c1 ZINC000330856025 554179492 /nfs/dbraw/zinc/17/94/92/554179492.db2.gz ICEJBBBBPIJGNV-UHFFFAOYSA-N 1 0 372.263 2.240 20 30 FEEDRO CNC(=O)c1ccc(NC(=O)N2CC[N@H+](C[C@H](C)O)C[C@@H]2C)cc1Cl ZINC000331201294 554230010 /nfs/dbraw/zinc/23/00/10/554230010.db2.gz WTYRJYQLZDXCFH-RYUDHWBXSA-N 1 0 368.865 2.207 20 30 FEEDRO C[C@H]1CN(Cc2ccc(C#N)cc2OC(F)F)CC[N@@H+]1CC(C)(C)O ZINC000331284341 554241294 /nfs/dbraw/zinc/24/12/94/554241294.db2.gz FSMGBIRECZAPKW-ZDUSSCGKSA-N 1 0 353.413 2.437 20 30 FEEDRO C=CCn1c([C@@H](C)OCCOC)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000508810969 561773490 /nfs/dbraw/zinc/77/34/90/561773490.db2.gz FXQQOKADNWCBDH-IAGOWNOFSA-N 1 0 363.506 2.253 20 30 FEEDRO COc1ccc(CNC(=O)N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)cc1NC(C)=O ZINC000331304866 554244760 /nfs/dbraw/zinc/24/47/60/554244760.db2.gz YRJNMZQMVXTYCG-CXAGYDPISA-N 1 0 362.474 2.340 20 30 FEEDRO CC[N@@H+]1CCC[C@@H](CN(C)C(=O)c2c[nH]c(C#N)c2)[C@@H]1c1cnn(C)c1 ZINC000331469071 554269522 /nfs/dbraw/zinc/26/95/22/554269522.db2.gz OMYYRFFWJMCDQT-KBXCAEBGSA-N 1 0 354.458 2.165 20 30 FEEDRO C=CCn1c(-c2cccn2C)nnc1N1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000508955797 561779390 /nfs/dbraw/zinc/77/93/90/561779390.db2.gz JWSMUFXYHYPUNU-MRXNPFEDSA-N 1 0 370.501 2.159 20 30 FEEDRO CC[NH+]1CCN([C@@H]2CCN(C(=O)C[C@@H](CC#N)c3ccccc3)C2)CC1 ZINC000332328895 554425993 /nfs/dbraw/zinc/42/59/93/554425993.db2.gz UATBYEBDQYBPJI-WOJBJXKFSA-N 1 0 354.498 2.312 20 30 FEEDRO COc1ccc(C#N)cc1NC(=O)N1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000332463901 554450968 /nfs/dbraw/zinc/45/09/68/554450968.db2.gz KAXRRFYBMDKGEY-AWEZNQCLSA-N 1 0 358.442 2.284 20 30 FEEDRO Cc1ccccc1[C@@H]1CC[N@@H+](CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)C1 ZINC000332669016 554493917 /nfs/dbraw/zinc/49/39/17/554493917.db2.gz MPTHQFGRRFPGDP-CTNGQTDRSA-N 1 0 368.525 2.477 20 30 FEEDRO CNC(=O)[C@H]1CCC[C@@H]1[NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000333039514 554562968 /nfs/dbraw/zinc/56/29/68/554562968.db2.gz YSLLSYKFONTBQT-ZFWWWQNUSA-N 1 0 374.510 2.331 20 30 FEEDRO N#Cc1ccccc1NC(=O)CC[N@@H+]1CC[C@@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000333199520 554587787 /nfs/dbraw/zinc/58/77/87/554587787.db2.gz XGDJOSOAVZDEGH-QFBILLFUSA-N 1 0 366.465 2.362 20 30 FEEDRO N#Cc1c(NC(=O)CC[N@H+]2CCSC[C@@H]2CCO)sc2c1CCC2 ZINC000333440197 554613426 /nfs/dbraw/zinc/61/34/26/554613426.db2.gz LQBNDNCQSIZFFG-LBPRGKRZSA-N 1 0 365.524 2.237 20 30 FEEDRO Cc1cc(N2CCN([C@H]3CC[NH2+]C3)CC2)n2c3ccccc3nc2c1C#N ZINC000333564634 554624004 /nfs/dbraw/zinc/62/40/04/554624004.db2.gz RAZJCNIBBUYTCO-INIZCTEOSA-N 1 0 360.465 2.152 20 30 FEEDRO C=C[C@@H](CC(=O)N1CC[NH+]([C@H]2CCNC(=O)CC2)CC1)c1ccccc1 ZINC000333743698 554638458 /nfs/dbraw/zinc/63/84/58/554638458.db2.gz LZOJGJMXTAPFTA-PKOBYXMFSA-N 1 0 355.482 2.159 20 30 FEEDRO N#Cc1ccccc1N1CCCN(C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000333904018 554654504 /nfs/dbraw/zinc/65/45/04/554654504.db2.gz JJAOJGIJIKGJGW-GBESFXJTSA-N 1 0 367.497 2.168 20 30 FEEDRO C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CCC(F)(C#N)CC1 ZINC000510936420 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AEUYPTSBYYBDQO-HZPDHXFCSA-N 1 0 351.491 2.400 20 30 FEEDRO N#Cc1ccsc1NC(=O)CC[N@@H+]1CC[C@H](C(F)(F)F)[C@@H](CO)C1 ZINC000511624330 561874989 /nfs/dbraw/zinc/87/49/89/561874989.db2.gz CEBXSLYLQBHBEV-NEPJUHHUSA-N 1 0 361.389 2.441 20 30 FEEDRO Cc1ccc(NC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c(OCC[NH+](C)C)c1 ZINC000362915860 554998995 /nfs/dbraw/zinc/99/89/95/554998995.db2.gz HWTFODQZJULGLV-KRWDZBQOSA-N 1 0 371.485 2.140 20 30 FEEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000363006408 555008252 /nfs/dbraw/zinc/00/82/52/555008252.db2.gz HQQHLQNYJDOLHX-HZPDHXFCSA-N 1 0 370.453 2.027 20 30 FEEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000363147208 555040476 /nfs/dbraw/zinc/04/04/76/555040476.db2.gz PNSKCTIEQIGORJ-INIZCTEOSA-N 1 0 356.470 2.295 20 30 FEEDRO C[C@@H]1C[N@@H+](C2CCN(CC(=O)N(CCC#N)c3ccccc3)CC2)CCO1 ZINC000363271159 555068760 /nfs/dbraw/zinc/06/87/60/555068760.db2.gz JULZYCRWBLQPQX-GOSISDBHSA-N 1 0 370.497 2.118 20 30 FEEDRO N#Cc1cccc(OCCCCC(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000363515025 555124966 /nfs/dbraw/zinc/12/49/66/555124966.db2.gz AUBMMUYRRYMPQB-IEBWSBKVSA-N 1 0 357.454 2.087 20 30 FEEDRO C[C@H](NC(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1)C1=CC[N@H+](C)CC1 ZINC000363717302 555170535 /nfs/dbraw/zinc/17/05/35/555170535.db2.gz RXEFPNLTGMBAQH-ZDUSSCGKSA-N 1 0 368.416 2.655 20 30 FEEDRO CCN(C[C@@H](C)C#N)C(=O)CN1CCC[C@H]1c1ccc(CNC(C)=O)o1 ZINC000364079083 555246082 /nfs/dbraw/zinc/24/60/82/555246082.db2.gz JJPPRLULXAFQQI-YOEHRIQHSA-N 1 0 360.458 2.061 20 30 FEEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)[C@@H]1CCN(C2CCOCC2)C1=O ZINC000364172108 555262905 /nfs/dbraw/zinc/26/29/05/555262905.db2.gz XDHPXGLUPQFREJ-GOSISDBHSA-N 1 0 359.426 2.363 20 30 FEEDRO C[NH+](C)Cc1cccc(C(=O)N2CCC(Nc3ccc(C#N)cn3)CC2)c1 ZINC000364188091 555265852 /nfs/dbraw/zinc/26/58/52/555265852.db2.gz KOPJFVQOELEBRT-UHFFFAOYSA-N 1 0 363.465 2.732 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)C2CCN(c3nc(C)cs3)CC2)CC1 ZINC000364256289 555279600 /nfs/dbraw/zinc/27/96/00/555279600.db2.gz MOWQNRZENUUGDZ-UHFFFAOYSA-N 1 0 360.527 2.272 20 30 FEEDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CCCN(c2ccc(C#N)cc2)CC1 ZINC000364429232 555312188 /nfs/dbraw/zinc/31/21/88/555312188.db2.gz XJJCCRSOVHQYAE-OXQOHEQNSA-N 1 0 367.497 2.263 20 30 FEEDRO N#Cc1ccccc1OCC(=O)NC1CC[NH+](CCc2ccncc2)CC1 ZINC000364483963 555321871 /nfs/dbraw/zinc/32/18/71/555321871.db2.gz QILMNDFZGCAXAP-UHFFFAOYSA-N 1 0 364.449 2.155 20 30 FEEDRO C[C@@H](NC(=O)[C@@H]1CCC(=O)N1Cc1cccc(C#N)c1)C(C)(C)C[NH+](C)C ZINC000364517229 555327840 /nfs/dbraw/zinc/32/78/40/555327840.db2.gz ITMIDMWUNFUXFT-QAPCUYQASA-N 1 0 370.497 2.142 20 30 FEEDRO N#Cc1ccc(CN2CC[C@H]([NH2+]Cc3ccc(-n4cncn4)cc3)C2=O)cc1 ZINC000364599806 555349613 /nfs/dbraw/zinc/34/96/13/555349613.db2.gz FTWLILNSUFWKTJ-FQEVSTJZSA-N 1 0 372.432 2.030 20 30 FEEDRO C#CCN(C(=O)C[NH+](C)C)[C@H]1CCOc2ccc(Br)cc21 ZINC000364865042 555418904 /nfs/dbraw/zinc/41/89/04/555418904.db2.gz RDEBCUGISRMDQE-AWEZNQCLSA-N 1 0 351.244 2.296 20 30 FEEDRO C=CCNC(=O)c1ccc(NC[C@H]2CCC[N@H+](Cc3cccnc3)C2)nc1 ZINC000364903893 555432074 /nfs/dbraw/zinc/43/20/74/555432074.db2.gz ZFRDTKVLMQNFLZ-GOSISDBHSA-N 1 0 365.481 2.717 20 30 FEEDRO C=CCN(CC=C)C(=O)C[NH2+][C@H]1CCN(Cc2cnc(C)s2)C[C@@H]1C ZINC000364913566 555435140 /nfs/dbraw/zinc/43/51/40/555435140.db2.gz GVDUKANILBOPNN-YJBOKZPZSA-N 1 0 362.543 2.452 20 30 FEEDRO C[C@@H]([NH2+]C[C@@H](O)CN1CCOCC1)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000364931155 555441553 /nfs/dbraw/zinc/44/15/53/555441553.db2.gz BFWCLRYEVBJZAL-RHSMWYFYSA-N 1 0 372.494 2.025 20 30 FEEDRO CC(C)c1nccn1[C@@H]1CCCN(S(=O)(=O)c2cccnc2C#N)C1 ZINC000365429189 555573078 /nfs/dbraw/zinc/57/30/78/555573078.db2.gz RFRHRJLRGPDSFT-CQSZACIVSA-N 1 0 359.455 2.299 20 30 FEEDRO COc1ccc(CC(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)nc1 ZINC000365537649 555602738 /nfs/dbraw/zinc/60/27/38/555602738.db2.gz MDLKRYKAQJBSPU-UHFFFAOYSA-N 1 0 364.449 2.307 20 30 FEEDRO N#Cc1cc(NC(=O)C(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)ccc1Cl ZINC000365543266 555604501 /nfs/dbraw/zinc/60/45/01/555604501.db2.gz BNMNGHXMYPZUSO-QRTARXTBSA-N 1 0 372.856 2.093 20 30 FEEDRO N#Cc1cccc(CNC(=O)CN2CC[NH+](CCc3cccs3)CC2)c1 ZINC000513450506 561938773 /nfs/dbraw/zinc/93/87/73/561938773.db2.gz KPTMYBQAXMPVOL-UHFFFAOYSA-N 1 0 368.506 2.096 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N2C[C@@H](c3ccc(Cl)cc3)[C@H](CO)C2)CC1 ZINC000365699943 555644118 /nfs/dbraw/zinc/64/41/18/555644118.db2.gz XFUGQOYOHJBSPG-HKUYNNGSSA-N 1 0 360.885 2.220 20 30 FEEDRO Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N3CCC([NH+](C)C)CC3)C2)n1 ZINC000365774819 555665189 /nfs/dbraw/zinc/66/51/89/555665189.db2.gz YUAHNIGHTFFKHX-QGZVFWFLSA-N 1 0 355.486 2.031 20 30 FEEDRO Cc1ncc(C[N@@H+]2CC[C@@H](NC(=O)c3cc(C#N)cn3C)[C@@H](C)C2)s1 ZINC000365921334 555701666 /nfs/dbraw/zinc/70/16/66/555701666.db2.gz POWFWMVLVQQJDL-BLLLJJGKSA-N 1 0 357.483 2.302 20 30 FEEDRO C=CCc1cc(C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)cc(OC)c1OC ZINC000366190373 555776230 /nfs/dbraw/zinc/77/62/30/555776230.db2.gz CNRRRKFKPFZNRG-GOSISDBHSA-N 1 0 374.481 2.415 20 30 FEEDRO CS(=O)(=O)CC[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccccc1C#N ZINC000366438661 555843566 /nfs/dbraw/zinc/84/35/66/555843566.db2.gz LXBBIRTVTNYWDX-INIZCTEOSA-N 1 0 363.483 2.176 20 30 FEEDRO CN1C(=O)C[C@H]([NH2+]CC(=O)Nc2ccc(C#N)cc2)[C@@H]1c1ccc(F)cc1 ZINC000366808575 555939242 /nfs/dbraw/zinc/93/92/42/555939242.db2.gz JKXRETALVGQKDP-PXNSSMCTSA-N 1 0 366.396 2.197 20 30 FEEDRO C[C@@]1(CNC(=O)N=c2ccn(CCC#N)[nH]2)CC[N@H+](Cc2ccccc2)C1 ZINC000366878949 555958451 /nfs/dbraw/zinc/95/84/51/555958451.db2.gz GCGVMPOGTFIRID-FQEVSTJZSA-N 1 0 366.469 2.830 20 30 FEEDRO C[C@@H](CC#N)N(C)S(=O)(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000367165229 556002734 /nfs/dbraw/zinc/00/27/34/556002734.db2.gz MONPYZPLSTWCOM-GTPINHCMSA-N 1 0 356.536 2.098 20 30 FEEDRO N#Cc1ccc(N2CCC([NH2+]Cc3ncc(C4OCCO4)s3)CC2)nc1 ZINC000367369444 556030403 /nfs/dbraw/zinc/03/04/03/556030403.db2.gz DEKOPRXPFDCBMN-UHFFFAOYSA-N 1 0 371.466 2.214 20 30 FEEDRO Cn1cc(N2CC[C@H]([NH2+]C3CCN(c4ccc(C#N)cc4)CC3)C2)cn1 ZINC000367599583 556093928 /nfs/dbraw/zinc/09/39/28/556093928.db2.gz WPSNCJUROWQAKI-SFHVURJKSA-N 1 0 350.470 2.129 20 30 FEEDRO N#Cc1ccc(N2CC[C@@H](C(=O)N3CC[C@H]([NH+]4CCCC4)C3)C2)c(F)c1 ZINC000367651468 556105089 /nfs/dbraw/zinc/10/50/89/556105089.db2.gz SCEZGQRXHKVJIW-SJORKVTESA-N 1 0 356.445 2.220 20 30 FEEDRO COc1ccc2c(c1)[C@@H]([NH3+])CCN2S(=O)(=O)c1ccc(C#N)c(C)c1 ZINC000367711500 556120774 /nfs/dbraw/zinc/12/07/74/556120774.db2.gz CWAYETRYFVKAFU-KRWDZBQOSA-N 1 0 357.435 2.474 20 30 FEEDRO CC1CC[NH+](CC2CCN(S(=O)(=O)c3ccc(C#N)o3)CC2)CC1 ZINC000367743789 556128079 /nfs/dbraw/zinc/12/80/79/556128079.db2.gz IJUUTMKVBDJKLO-UHFFFAOYSA-N 1 0 351.472 2.284 20 30 FEEDRO C=CCNc1ncc(C(=O)N2CCC[C@H]([NH+]3CCOCC3)CC2)s1 ZINC000621997263 556198630 /nfs/dbraw/zinc/19/86/30/556198630.db2.gz GFYKHXGWYRYQFE-AWEZNQCLSA-N 1 0 350.488 2.068 20 30 FEEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(S(=O)(=O)CCO)cc1)CC2 ZINC000515018407 561992097 /nfs/dbraw/zinc/99/20/97/561992097.db2.gz DEFSEOROMVOFIP-LJQANCHMSA-N 1 0 356.447 2.101 20 30 FEEDRO Cc1cc(F)ccc1-n1ccc(NC(=O)N(CCC#N)CCC[NH+](C)C)n1 ZINC000368254606 556259998 /nfs/dbraw/zinc/25/99/98/556259998.db2.gz ISULSDZRTKUWDG-UHFFFAOYSA-N 1 0 372.448 3.019 20 30 FEEDRO CN(CCC#N)C(=O)CC[N@@H+]1CC[C@@H]2[C@@H](CCN2C(=O)OC(C)(C)C)C1 ZINC000368348977 556284095 /nfs/dbraw/zinc/28/40/95/556284095.db2.gz PABCNFYJVVDJKY-JKSUJKDBSA-N 1 0 364.490 2.080 20 30 FEEDRO C[C@H](N[C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@H]1C)C(=O)Nc1ccccc1C#N ZINC000368417263 556301943 /nfs/dbraw/zinc/30/19/43/556301943.db2.gz QMESTDBXNWCCAR-UKBAYJJMSA-N 1 0 370.497 2.364 20 30 FEEDRO C=C(C)[C@H]1OCCC[C@H]1C(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000368469337 556319123 /nfs/dbraw/zinc/31/91/23/556319123.db2.gz IADXOIDLVYJGMK-RTBURBONSA-N 1 0 350.503 2.319 20 30 FEEDRO N#Cc1c(NC(=O)CC[N@H+]2CC[C@@H](CC(N)=O)C2)sc2c1CCCC2 ZINC000368575096 556349840 /nfs/dbraw/zinc/34/98/40/556349840.db2.gz IFPQMJNDABDCPN-LBPRGKRZSA-N 1 0 360.483 2.024 20 30 FEEDRO N#CC[C@@H]1C[C@H]2[C@@H](CCC[C@@H]2[NH2+]CCn2cc(Br)cn2)O1 ZINC000368602330 556359546 /nfs/dbraw/zinc/35/95/46/556359546.db2.gz JLTQOMXWVBHGCW-APIJFGDWSA-N 1 0 353.264 2.475 20 30 FEEDRO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)NCC1(C#N)CC1 ZINC000515612175 562016923 /nfs/dbraw/zinc/01/69/23/562016923.db2.gz OYSAGHVSILLDQV-QZTJIDSGSA-N 1 0 356.470 2.126 20 30 FEEDRO C[C@@]1(CNS(=O)(=O)c2ccc(C#N)o2)CCC[N@@H+]1Cc1ccccc1 ZINC000515624368 562017346 /nfs/dbraw/zinc/01/73/46/562017346.db2.gz DBSLWKMDBRLOTO-SFHVURJKSA-N 1 0 359.451 2.484 20 30 FEEDRO C[C@H](C[NH+]1CCCCC1)NC(=O)NC1CCN(c2ccc(C#N)cn2)CC1 ZINC000368942913 556454823 /nfs/dbraw/zinc/45/48/23/556454823.db2.gz REQMADIPAKCZFS-MRXNPFEDSA-N 1 0 370.501 2.096 20 30 FEEDRO C[C@H](CO)[N@@H+]1CCCN(Cc2ccc(C#N)cc2Br)CC1 ZINC000368966903 556461669 /nfs/dbraw/zinc/46/16/69/556461669.db2.gz SLHGNTGLTSYRQQ-CYBMUJFWSA-N 1 0 352.276 2.209 20 30 FEEDRO CCN(C[C@H](C)C#N)S(=O)(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000369106338 556506819 /nfs/dbraw/zinc/50/68/19/556506819.db2.gz HJQZKGNDTBZJSU-WWDZGPRUSA-N 1 0 370.563 2.345 20 30 FEEDRO Cc1ccc([C@H](CNC(=O)N2CCN(C3CC3)[C@H](C#N)C2)[NH+]2CCCC2)o1 ZINC000369228071 556541785 /nfs/dbraw/zinc/54/17/85/556541785.db2.gz CUXGCMZSILKOQL-MSOLQXFVSA-N 1 0 371.485 2.107 20 30 FEEDRO CC[NH+](CC)Cc1ccc(CNC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1 ZINC000369229892 556542589 /nfs/dbraw/zinc/54/25/89/556542589.db2.gz GSGQMYVHOIGSLZ-FQEVSTJZSA-N 1 0 369.513 2.410 20 30 FEEDRO Cc1nc(C)n(C[C@H]2CCCC[N@@H+]2C[C@@H](O)COc2ccc(C#N)cc2)n1 ZINC000369238863 556545813 /nfs/dbraw/zinc/54/58/13/556545813.db2.gz SPMLBZZCADYQRQ-RTBURBONSA-N 1 0 369.469 2.061 20 30 FEEDRO Cc1nc(CN2CCC[C@H]([NH2+]Cc3ccc(N(C)CCC#N)cc3)C2)no1 ZINC000369263747 556554149 /nfs/dbraw/zinc/55/41/49/556554149.db2.gz FXAKJRNCRTVRNI-SFHVURJKSA-N 1 0 368.485 2.482 20 30 FEEDRO Cn1cc([C@H]2[C@H](CNC(=O)Nc3cccc(C#N)c3)CCC[N@@H+]2C)cn1 ZINC000369425939 556597843 /nfs/dbraw/zinc/59/78/43/556597843.db2.gz YBYOAFAHYGJOQX-MAUKXSAKSA-N 1 0 352.442 2.496 20 30 FEEDRO N#Cc1ccc2ncc(C[NH2+]C3CCN(Cc4cscn4)CC3)n2c1 ZINC000369481238 556608890 /nfs/dbraw/zinc/60/88/90/556608890.db2.gz XZGSRGJQRUAJSL-UHFFFAOYSA-N 1 0 352.467 2.417 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)CC1 ZINC000369591860 556641053 /nfs/dbraw/zinc/64/10/53/556641053.db2.gz NKDGERWUGMUDEP-HNNXBMFYSA-N 1 0 373.884 2.297 20 30 FEEDRO C=CCc1ccccc1OC[C@@H](O)C[NH2+][C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000516277033 562038440 /nfs/dbraw/zinc/03/84/40/562038440.db2.gz SYTOPHPURHRUGP-QUCCMNQESA-N 1 0 370.497 2.147 20 30 FEEDRO C[C@H](C(=O)N1c2ccccc2C[C@@H]1C)[NH+]1CCC(n2cnc(C#N)n2)CC1 ZINC000369730864 556679834 /nfs/dbraw/zinc/67/98/34/556679834.db2.gz RUWFTBDVKVNEFM-LSDHHAIUSA-N 1 0 364.453 2.153 20 30 FEEDRO C=CCN1CC[C@H](N(C)C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)C1=O ZINC000369855754 556713736 /nfs/dbraw/zinc/71/37/36/556713736.db2.gz JDNDOYBWEKIBBG-OALUTQOASA-N 1 0 370.497 2.079 20 30 FEEDRO Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N3CC[NH+](C(C)C)CC3)C2)n1 ZINC000369934732 556735038 /nfs/dbraw/zinc/73/50/38/556735038.db2.gz 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C=C(C)C[NH+]1CCC(NC(=O)N2C[C@H](C)O[C@]3(CCO[C@H]3C)C2)CC1 ZINC000370507463 556893803 /nfs/dbraw/zinc/89/38/03/556893803.db2.gz IETBTBNRYLYRER-TXPKVOOTSA-N 1 0 351.491 2.005 20 30 FEEDRO CN1CC[C@@H]([NH2+]CC(=O)NCc2ccc(C#N)cc2)[C@H]1c1ccc(F)cc1 ZINC000370730953 556952369 /nfs/dbraw/zinc/95/23/69/556952369.db2.gz RSAPHHQBFPSGGZ-TZIWHRDSSA-N 1 0 366.440 2.349 20 30 FEEDRO C=CCN(CC=C)C(=O)[C@@H](C)[NH2+][C@H]1CCCN(Cc2noc(C3CC3)n2)C1 ZINC000370884794 557001798 /nfs/dbraw/zinc/00/17/98/557001798.db2.gz CQRROQOZFNEEKF-WBVHZDCISA-N 1 0 373.501 2.090 20 30 FEEDRO CCc1nnc(NCc2ccncc2OCC[NH+](C)C)c(C#N)c1CC ZINC000517197795 562078927 /nfs/dbraw/zinc/07/89/27/562078927.db2.gz ZLAGJDBNJCCTPU-UHFFFAOYSA-N 1 0 354.458 2.421 20 30 FEEDRO Cc1cccc2ncc(CN3C[C@@H](C#N)[C@]4(C3)c3ccccc3NC4=O)n21 ZINC000371456162 557190137 /nfs/dbraw/zinc/19/01/37/557190137.db2.gz FUOVREYPPNTYBP-QVKFZJNVSA-N 1 0 357.417 2.488 20 30 FEEDRO N#C[C@H](c1cccs1)N1CCN(C(=O)C[N@@H+]2CCC[C@H]2C2CC2)CC1 ZINC000371470296 557190744 /nfs/dbraw/zinc/19/07/44/557190744.db2.gz KNYAASKVMBPPIE-DLBZAZTESA-N 1 0 358.511 2.331 20 30 FEEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000517957482 562101561 /nfs/dbraw/zinc/10/15/61/562101561.db2.gz QQXFCJUIUYZSFP-OKZBNKHCSA-N 1 0 370.497 2.499 20 30 FEEDRO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[NH2+]C[C@@H]2CN(C3CC3)CCO2)cc1 ZINC000371793294 557294911 /nfs/dbraw/zinc/29/49/11/557294911.db2.gz VNORVZCZWGSFDF-YLJYHZDGSA-N 1 0 370.497 2.083 20 30 FEEDRO CN(CCC#N)c1ccc(C[NH2+]C[C@@]2(N3CCOCC3)CCCOC2)cc1 ZINC000372006187 557354119 /nfs/dbraw/zinc/35/41/19/557354119.db2.gz IAEAQVKRIOBLOY-NRFANRHFSA-N 1 0 372.513 2.007 20 30 FEEDRO CC(C)Oc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1C#N ZINC000372085970 557376412 /nfs/dbraw/zinc/37/64/12/557376412.db2.gz QNCYEPVUIGKBGT-IAGOWNOFSA-N 1 0 370.453 2.027 20 30 FEEDRO CC(C)Oc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1C#N ZINC000372085972 557376562 /nfs/dbraw/zinc/37/65/62/557376562.db2.gz QNCYEPVUIGKBGT-SJORKVTESA-N 1 0 370.453 2.027 20 30 FEEDRO C[C@H](O)C[C@H](C[NH2+]C[C@@H](O)COc1ccc(C#N)cc1)c1ccccc1 ZINC000518964810 562122008 /nfs/dbraw/zinc/12/20/08/562122008.db2.gz DYQACGCOTQQVEB-PWIZWCRZSA-N 1 0 354.450 2.442 20 30 FEEDRO CN1CC[NH+](CCC2CCN(C(=O)c3ccc(CC#N)cc3)CC2)CC1 ZINC000372291829 557431490 /nfs/dbraw/zinc/43/14/90/557431490.db2.gz RNCMFKSGMDBKFM-UHFFFAOYSA-N 1 0 354.498 2.242 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N2CCC(c3nnc4cc(C)ccn43)CC2)CC1 ZINC000372493608 557484765 /nfs/dbraw/zinc/48/47/65/557484765.db2.gz HQAQFVBICFFKBT-UHFFFAOYSA-N 1 0 365.481 2.089 20 30 FEEDRO Cc1cc(C#N)ccc1C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC000372761828 557557023 /nfs/dbraw/zinc/55/70/23/557557023.db2.gz OTEDYZZPOLBNFN-VQIMIIECSA-N 1 0 351.454 2.413 20 30 FEEDRO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CC[C@]2(C1)CCCN(C)C2=O ZINC000372900041 557584564 /nfs/dbraw/zinc/58/45/64/557584564.db2.gz AWBUUSGSFHTRRK-VVMSIFSJSA-N 1 0 374.529 2.250 20 30 FEEDRO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CC[C@]2(C1)CCCN(C)C2=O ZINC000372900044 557584757 /nfs/dbraw/zinc/58/47/57/557584757.db2.gz AWBUUSGSFHTRRK-ZZWQXLNQSA-N 1 0 374.529 2.250 20 30 FEEDRO CN1C(=O)N[C@@]2(CCC[C@H]2C[NH2+]Cc2ccc(F)c(C#N)c2Cl)C1=O ZINC000372993770 557605786 /nfs/dbraw/zinc/60/57/86/557605786.db2.gz WGILZOKUOGEXHF-APPDUMDISA-N 1 0 364.808 2.161 20 30 FEEDRO COc1ccc2c(c1)[C@@H]([NH3+])CCN2S(=O)(=O)c1cccc(C)c1C#N ZINC000373181519 557645271 /nfs/dbraw/zinc/64/52/71/557645271.db2.gz UIYGYGBROUXHLD-INIZCTEOSA-N 1 0 357.435 2.474 20 30 FEEDRO C=CCNC(=O)CNC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000373185739 557646565 /nfs/dbraw/zinc/64/65/65/557646565.db2.gz LBHYPORCVPXYRZ-RTBURBONSA-N 1 0 370.497 2.127 20 30 FEEDRO C=CC[N@H+](C[C@@H](O)COC(C)(C)C)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000520195994 562150315 /nfs/dbraw/zinc/15/03/15/562150315.db2.gz UBEDMFBUWOPHKA-MAUKXSAKSA-N 1 0 359.474 2.387 20 30 FEEDRO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CC[C@@H](c3ccccc3F)C2)CC1 ZINC000520201115 562150444 /nfs/dbraw/zinc/15/04/44/562150444.db2.gz YGXMZSPCNUHFKD-XLIONFOSSA-N 1 0 372.488 2.307 20 30 FEEDRO Cc1cccc2ncc(C[NH2+][C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)n21 ZINC000373814024 557765615 /nfs/dbraw/zinc/76/56/15/557765615.db2.gz ZMBOXGNULGTESA-IBGZPJMESA-N 1 0 359.433 2.405 20 30 FEEDRO C[N@H+](CC(=O)N(CCC#N)CCC#N)C1CCN(c2ccccc2)CC1 ZINC000373920479 557787436 /nfs/dbraw/zinc/78/74/36/557787436.db2.gz JUPJQGVIBDREHF-UHFFFAOYSA-N 1 0 353.470 2.243 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000520686974 562161617 /nfs/dbraw/zinc/16/16/17/562161617.db2.gz QTWSSBPDNVJBOG-UHFFFAOYSA-N 1 0 369.425 2.376 20 30 FEEDRO C=CCOc1ccccc1C(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000374284531 557858113 /nfs/dbraw/zinc/85/81/13/557858113.db2.gz AFKOZQBQUHCSJI-IEBWSBKVSA-N 1 0 357.498 2.349 20 30 FEEDRO CC[N@@H+]1CCc2c(cccc2NC(=O)C(=O)NCC2CCC(C#N)CC2)C1 ZINC000374420219 557881413 /nfs/dbraw/zinc/88/14/13/557881413.db2.gz BANDYZWMKHHPRT-UHFFFAOYSA-N 1 0 368.481 2.449 20 30 FEEDRO N#Cc1ccc([C@@H](O)C[NH+]2CCC3(C[C@H]3C(=O)N3CCCC3)CC2)cc1 ZINC000374472706 557888482 /nfs/dbraw/zinc/88/84/82/557888482.db2.gz RBJZGYSAFGYOLH-OALUTQOASA-N 1 0 353.466 2.316 20 30 FEEDRO C[C@H](C#N)Oc1ccccc1NC(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000374759613 557926726 /nfs/dbraw/zinc/92/67/26/557926726.db2.gz KFLBGBSBAOCWIB-PVAVHDDUSA-N 1 0 358.442 2.040 20 30 FEEDRO CN1CCC(CNC(=O)N2CCC(C)(C#N)CC2)([NH+]2CCCCC2)CC1 ZINC000374761970 557927098 /nfs/dbraw/zinc/92/70/98/557927098.db2.gz BWLFRPHXKFSQGA-UHFFFAOYSA-N 1 0 361.534 2.272 20 30 FEEDRO COc1cccc([C@@H]2[C@@H]([NH2+][C@@H](C)C(=O)N(C)CCC#N)CCN2C2CC2)c1 ZINC000374766759 557928134 /nfs/dbraw/zinc/92/81/34/557928134.db2.gz MXQVTQQVNNWISN-RYGJVYDSSA-N 1 0 370.497 2.323 20 30 FEEDRO C[C@H]([NH2+]CCCN1C(=O)CNC1=O)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000374954904 557956102 /nfs/dbraw/zinc/95/61/02/557956102.db2.gz PKFVFEDKAZSHCM-LBPRGKRZSA-N 1 0 369.450 2.274 20 30 FEEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1CC[C@H]2CC[N@H+](C)[C@H]2C1 ZINC000375019461 557965203 /nfs/dbraw/zinc/96/52/03/557965203.db2.gz LDAKWYAREXARSC-SCTDSRPQSA-N 1 0 370.497 2.356 20 30 FEEDRO COC(=O)c1cn([C@@H]2CCC[N@H+](Cc3ccc(O[C@@H](C)C#N)cc3)C2)nn1 ZINC000375176718 557987595 /nfs/dbraw/zinc/98/75/95/557987595.db2.gz PCPMTQPTWQIZAK-GOEBONIOSA-N 1 0 369.425 2.193 20 30 FEEDRO C[N@H+](CCC(=O)N1CCN(c2ncccc2C#N)CC1)C1CCCCC1 ZINC000521384622 562175360 /nfs/dbraw/zinc/17/53/60/562175360.db2.gz YEIXYGWHXSMUSO-UHFFFAOYSA-N 1 0 355.486 2.256 20 30 FEEDRO N#CC1(NC(=O)CN2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)CCC1 ZINC000375739668 558075333 /nfs/dbraw/zinc/07/53/33/558075333.db2.gz BKXZWLPLGQMICC-FQEVSTJZSA-N 1 0 352.482 2.147 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)CCn2cnc3sc(C)c(C)c3c2=O)CC1 ZINC000521578103 562179221 /nfs/dbraw/zinc/17/92/21/562179221.db2.gz VEBCGXLOWWWVNW-UHFFFAOYSA-N 1 0 374.510 2.232 20 30 FEEDRO C[C@H](NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)c1csnn1 ZINC000521579150 562179226 /nfs/dbraw/zinc/17/92/26/562179226.db2.gz URFIZGDCXMYLMW-AWEZNQCLSA-N 1 0 370.482 2.388 20 30 FEEDRO Cc1ccc(N2CCC[C@@H]([NH+]3CCC(n4cnc(C#N)n4)CC3)C2=O)cc1 ZINC000375922183 558099944 /nfs/dbraw/zinc/09/99/44/558099944.db2.gz VEINRZUNIOBBSL-GOSISDBHSA-N 1 0 364.453 2.291 20 30 FEEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000375988729 558110602 /nfs/dbraw/zinc/11/06/02/558110602.db2.gz GOQDRKFYBFFTRL-IBGZPJMESA-N 1 0 364.449 2.212 20 30 FEEDRO CC(C)(C)OC(=O)[C@@]12CCC[C@H]1C[N@H+](CC(=O)N(CCC#N)CCC#N)C2 ZINC000376404545 558168808 /nfs/dbraw/zinc/16/88/08/558168808.db2.gz ALEBQIBYXLWPKZ-OXJNMPFZSA-N 1 0 374.485 2.086 20 30 FEEDRO C[N@@H+]1CCN(CCNC(=O)N2CCC(C)(C#N)CC2)[C@H](c2ccccc2)C1 ZINC000376502451 558182059 /nfs/dbraw/zinc/18/20/59/558182059.db2.gz WGCSNNYNJHBMJV-IBGZPJMESA-N 1 0 369.513 2.310 20 30 FEEDRO C[N@@H+]1CCC[C@H]1CNC(=O)C1CCN(c2c(F)cc(C#N)cc2F)CC1 ZINC000376622251 558198861 /nfs/dbraw/zinc/19/88/61/558198861.db2.gz NUJPZOYGJYDRFF-HNNXBMFYSA-N 1 0 362.424 2.263 20 30 FEEDRO CC(C)(CCC#N)CNC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000377033160 558253731 /nfs/dbraw/zinc/25/37/31/558253731.db2.gz SSGBHMVKXQOZGH-RTBURBONSA-N 1 0 372.513 2.499 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N2CCn3c(C4CCCC4)nnc3[C@@H]2C)CC1 ZINC000377134046 558273467 /nfs/dbraw/zinc/27/34/67/558273467.db2.gz ZFBRVRHEPSASBQ-HNNXBMFYSA-N 1 0 355.486 2.184 20 30 FEEDRO N#Cc1cccc(C[NH2+]CCN2CCN(C(=O)C3CCCCC3)CC2)c1 ZINC000522213192 562194531 /nfs/dbraw/zinc/19/45/31/562194531.db2.gz DIQPSHSOJCZYTI-UHFFFAOYSA-N 1 0 354.498 2.372 20 30 FEEDRO C=CCNC(=O)C[NH+]1CCC([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000377730971 558407478 /nfs/dbraw/zinc/40/74/78/558407478.db2.gz AZGRMBIMXMBSCO-MRXNPFEDSA-N 1 0 351.491 2.258 20 30 FEEDRO C[C@](C#N)(NC(=O)CN1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)C1CC1 ZINC000377732536 558407562 /nfs/dbraw/zinc/40/75/62/558407562.db2.gz MMTQNEBRACUNLH-WOIUINJBSA-N 1 0 366.509 2.249 20 30 FEEDRO CN(CC1CCN(c2cc[nH+]cc2)CC1)S(=O)(=O)CCC(C)(C)C#N ZINC000377834427 558431552 /nfs/dbraw/zinc/43/15/52/558431552.db2.gz LMAREWOMRNUSNO-UHFFFAOYSA-N 1 0 364.515 2.499 20 30 FEEDRO N#Cc1cccc(OCCN2C[C@H](C#N)[C@]3(C2)C(=O)Nc2ccccc23)c1 ZINC000378285465 558519745 /nfs/dbraw/zinc/51/97/45/558519745.db2.gz IFACOMDKENGDOL-KKSFZXQISA-N 1 0 358.401 2.283 20 30 FEEDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000523581075 562215473 /nfs/dbraw/zinc/21/54/73/562215473.db2.gz ICYHDZVCWXTJCZ-HXUWFJFHSA-N 1 0 369.513 2.260 20 30 FEEDRO N#Cc1ccc(OC[C@@H](O)C[NH2+][C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000381898401 558604163 /nfs/dbraw/zinc/60/41/63/558604163.db2.gz RASPJMNJDPTVGY-UXHICEINSA-N 1 0 351.450 2.162 20 30 FEEDRO CCc1nc(C#N)cc(N2CCO[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]32)n1 ZINC000404181505 558631474 /nfs/dbraw/zinc/63/14/74/558631474.db2.gz JKULFTSNIDOYRU-MOPGFXCFSA-N 1 0 363.465 2.390 20 30 FEEDRO CCN(C[C@H](C)C#N)S(=O)(=O)N1CCC[C@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000407955577 558633148 /nfs/dbraw/zinc/63/31/48/558633148.db2.gz RTXGDWANAVWORL-NCOADZHNSA-N 1 0 356.536 2.050 20 30 FEEDRO C[C@@H](C#N)CN(C)S(=O)(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000409551519 558702690 /nfs/dbraw/zinc/70/26/90/558702690.db2.gz JGSNPGJXDHWOMQ-INIZCTEOSA-N 1 0 356.536 2.101 20 30 FEEDRO CCC[C@H]1CN(C(=O)[C@@H](C)n2cnc(C#N)n2)CC[N@@H+]1Cc1ccccc1 ZINC000409901391 558726229 /nfs/dbraw/zinc/72/62/29/558726229.db2.gz NHHIZIUQVWUYCU-AEFFLSMTSA-N 1 0 366.469 2.224 20 30 FEEDRO CCN(C[C@H](C)C#N)S(=O)(=O)N(CC[NH+](C)C)CC1CCCCC1 ZINC000410142479 558741904 /nfs/dbraw/zinc/74/19/04/558741904.db2.gz LMYLLXUQJNGREF-MRXNPFEDSA-N 1 0 358.552 2.157 20 30 FEEDRO C=CCN1CC[C@H](N(C)C(=O)c2ccc(Nc3cc[nH+]cc3)cc2)C1=O ZINC000410109620 558739036 /nfs/dbraw/zinc/73/90/36/558739036.db2.gz LVISYJPFSHUSHU-SFHVURJKSA-N 1 0 350.422 2.106 20 30 FEEDRO CCN(CCC#N)S(=O)(=O)N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000410152709 558742530 /nfs/dbraw/zinc/74/25/30/558742530.db2.gz YZNGOXWXDCRJOA-GOSISDBHSA-N 1 0 364.515 2.063 20 30 FEEDRO C=C(C)CN(C)C(=O)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000410815885 558813522 /nfs/dbraw/zinc/81/35/22/558813522.db2.gz UOSVBHUUQVOQSM-RBUKOAKNSA-N 1 0 355.482 2.001 20 30 FEEDRO N#Cc1ccccc1-c1ccc(C[NH+]2CCC(S(N)(=O)=O)CC2)cc1 ZINC000411426645 558893074 /nfs/dbraw/zinc/89/30/74/558893074.db2.gz SKPRAROYSUQBEL-UHFFFAOYSA-N 1 0 355.463 2.478 20 30 FEEDRO C=CC[C@@H](CC)NC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(F)c1 ZINC000411494253 558904880 /nfs/dbraw/zinc/90/48/80/558904880.db2.gz SMQQRZOTCLSWEY-CYBMUJFWSA-N 1 0 351.422 2.176 20 30 FEEDRO C=CC[N@@H+](C)CCN(CC)CC(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000411639798 558934141 /nfs/dbraw/zinc/93/41/41/558934141.db2.gz JHENTJFDKHDWOM-UHFFFAOYSA-N 1 0 358.486 2.192 20 30 FEEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000411663606 558938547 /nfs/dbraw/zinc/93/85/47/558938547.db2.gz DBQPLUUEGLAYQF-OAHLLOKOSA-N 1 0 372.469 2.132 20 30 FEEDRO C[N@H+](CCC(=O)Nc1cccc(C#N)c1)[C@H](CC(N)=O)c1ccccc1 ZINC000411669033 558939865 /nfs/dbraw/zinc/93/98/65/558939865.db2.gz QAONFYVKZINANU-GOSISDBHSA-N 1 0 350.422 2.435 20 30 FEEDRO CNC(=O)C[C@H]([NH2+]CCC(=O)Nc1cccc(C#N)c1)c1ccccc1 ZINC000411684645 558943672 /nfs/dbraw/zinc/94/36/72/558943672.db2.gz UIGZUITVCZUBKD-SFHVURJKSA-N 1 0 350.422 2.354 20 30 FEEDRO CCOC(=O)[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000411787686 558963192 /nfs/dbraw/zinc/96/31/92/558963192.db2.gz LISCPGWYHMNDAE-FGTMMUONSA-N 1 0 355.438 2.375 20 30 FEEDRO C=CCN(CC=C)C(=O)C[NH2+][C@H](c1ccccc1)C1(CO)CCOCC1 ZINC000412003784 559001319 /nfs/dbraw/zinc/00/13/19/559001319.db2.gz ARFHMFLAZTZHCH-HXUWFJFHSA-N 1 0 358.482 2.307 20 30 FEEDRO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1cc(C#N)c[nH]1 ZINC000412672401 559049922 /nfs/dbraw/zinc/04/99/22/559049922.db2.gz LJOMAYFGUCTNDE-IEBWSBKVSA-N 1 0 352.438 2.153 20 30 FEEDRO N#CC1(NC(=O)c2cccc3n[nH]nc32)CC[NH+](Cc2ccccc2)CC1 ZINC000526120326 562267525 /nfs/dbraw/zinc/26/75/25/562267525.db2.gz GHASIXUCPPCYGJ-UHFFFAOYSA-N 1 0 360.421 2.246 20 30 FEEDRO C=CC[C@@H](Cc1ccccc1)NC(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1 ZINC000413836890 559133957 /nfs/dbraw/zinc/13/39/57/559133957.db2.gz PYPRYAGMRMZXSS-ICSRJNTNSA-N 1 0 358.530 2.499 20 30 FEEDRO N#Cc1cc(C(=O)NCC2(O)CC[NH+](Cc3ccccc3)CC2)ccc1F ZINC000413974575 559144520 /nfs/dbraw/zinc/14/45/20/559144520.db2.gz FPQOVKZFVMYEPK-UHFFFAOYSA-N 1 0 367.424 2.454 20 30 FEEDRO CN(C)c1ncc(C[NH2+][C@H]2CCCN(c3ccc(C#N)cc3F)C2)n1C ZINC000414332750 559156879 /nfs/dbraw/zinc/15/68/79/559156879.db2.gz ACUPCILXHRRVKX-HNNXBMFYSA-N 1 0 356.449 2.255 20 30 FEEDRO C=C(C)CN1CCC([NH2+]Cc2ccc(S(N)(=O)=O)c(Cl)c2)CC1 ZINC000414334817 559156911 /nfs/dbraw/zinc/15/69/11/559156911.db2.gz NRSWNATYQPOXSL-UHFFFAOYSA-N 1 0 357.907 2.118 20 30 FEEDRO C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H](C[NH3+])CCCC)cc1 ZINC000414901421 559193992 /nfs/dbraw/zinc/19/39/92/559193992.db2.gz WYUTZEWULBSJQM-OAHLLOKOSA-N 1 0 368.503 2.132 20 30 FEEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(C)C[C@H](O)C[NH3+] ZINC000415069729 559203663 /nfs/dbraw/zinc/20/36/63/559203663.db2.gz XLURGKCERVLROW-OAHLLOKOSA-N 1 0 354.410 2.442 20 30 FEEDRO CO[C@@H]1CCN(C(=O)Nc2cc(C#N)ccc2OC(F)F)[C@@H](C[NH3+])C1 ZINC000415121163 559206564 /nfs/dbraw/zinc/20/65/64/559206564.db2.gz HMJWVKXXQRRTOQ-VXGBXAGGSA-N 1 0 354.357 2.130 20 30 FEEDRO COCC1(CNC(=O)Nc2cc(C#N)ccc2OC(F)F)CC[NH2+]CC1 ZINC000415127807 559206669 /nfs/dbraw/zinc/20/66/69/559206669.db2.gz RMOZGHCOKGMUFS-UHFFFAOYSA-N 1 0 368.384 2.297 20 30 FEEDRO N#Cc1ccc(Oc2cccc(NC(=O)C(=O)N3CCC([NH3+])CC3)c2)cc1 ZINC000415271865 559220029 /nfs/dbraw/zinc/22/00/29/559220029.db2.gz SAIMRCJUBPPEQF-UHFFFAOYSA-N 1 0 364.405 2.239 20 30 FEEDRO N#Cc1ccccc1Oc1ccc(NC(=O)C(=O)N2CCC[NH2+]CC2)cc1 ZINC000415311653 559223055 /nfs/dbraw/zinc/22/30/55/559223055.db2.gz BJEBUQBTBRDFBU-UHFFFAOYSA-N 1 0 364.405 2.111 20 30 FEEDRO CN(C(=O)C(=O)Nc1cccc(C#Cc2ccccc2)c1)C1CC[NH2+]CC1 ZINC000415317352 559223578 /nfs/dbraw/zinc/22/35/78/559223578.db2.gz DBNWWUVFLHSENH-UHFFFAOYSA-N 1 0 361.445 2.235 20 30 FEEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000415327740 559224590 /nfs/dbraw/zinc/22/45/90/559224590.db2.gz LNQFXFOTVOODEI-OAHLLOKOSA-N 1 0 364.405 2.076 20 30 FEEDRO O=C(NC[C@@H]1CCC[NH2+]C1)C(=O)Nc1cccc(C#Cc2ccccc2)c1 ZINC000415337329 559225193 /nfs/dbraw/zinc/22/51/93/559225193.db2.gz UGMZGJFXFACUBO-LJQANCHMSA-N 1 0 361.445 2.141 20 30 FEEDRO C[NH2+][C@@H]1CCCN(C(=O)C(=O)Nc2ccccc2C#Cc2ccccc2)C1 ZINC000415363041 559227705 /nfs/dbraw/zinc/22/77/05/559227705.db2.gz PUUAAOBIVQAXKQ-LJQANCHMSA-N 1 0 361.445 2.235 20 30 FEEDRO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)CC[NH2+]1 ZINC000415407250 559232355 /nfs/dbraw/zinc/23/23/55/559232355.db2.gz AZFHHEKPRJORRN-CQSZACIVSA-N 1 0 364.405 2.109 20 30 FEEDRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)Nc2ccccc2SCCC#N)C1 ZINC000415437004 559236694 /nfs/dbraw/zinc/23/66/94/559236694.db2.gz KKLBRDPOVRGIKS-KGLIPLIRSA-N 1 0 360.483 2.217 20 30 FEEDRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 ZINC000415445457 559237727 /nfs/dbraw/zinc/23/77/27/559237727.db2.gz GUCKKXLZZJXHAM-NWDGAFQWSA-N 1 0 358.833 2.598 20 30 FEEDRO CCC(CC)(C[NH3+])NC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 ZINC000415456542 559239139 /nfs/dbraw/zinc/23/91/39/559239139.db2.gz KSBKDSFGPYETES-UHFFFAOYSA-N 1 0 360.849 3.036 20 30 FEEDRO C[NH2+][C@@H]1CCCN(C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)C1 ZINC000415467104 559240300 /nfs/dbraw/zinc/24/03/00/559240300.db2.gz UYNWCJAQCSKFAJ-CYBMUJFWSA-N 1 0 358.833 2.613 20 30 FEEDRO N#Cc1cccnc1-n1cc(NC(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)cn1 ZINC000415491231 559242745 /nfs/dbraw/zinc/24/27/45/559242745.db2.gz KDSZMYAMPGSZQU-HDJSIYSDSA-N 1 0 353.430 2.026 20 30 FEEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000415516334 559245674 /nfs/dbraw/zinc/24/56/74/559245674.db2.gz FTOLZKVFZSQPCV-HZSPNIEDSA-N 1 0 360.483 2.073 20 30 FEEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000415647798 559257886 /nfs/dbraw/zinc/25/78/86/559257886.db2.gz OFRJOBQOBDXDHL-RDBSUJKOSA-N 1 0 360.483 2.405 20 30 FEEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000415773034 559269818 /nfs/dbraw/zinc/26/98/18/559269818.db2.gz UZTMSMNAVXLROP-RBSFLKMASA-N 1 0 372.494 2.230 20 30 FEEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000415795635 559271933 /nfs/dbraw/zinc/27/19/33/559271933.db2.gz WMUIMZCBQXFWDN-UONOGXRCSA-N 1 0 366.421 2.449 20 30 FEEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000415795637 559271937 /nfs/dbraw/zinc/27/19/37/559271937.db2.gz WMUIMZCBQXFWDN-ZIAGYGMSSA-N 1 0 366.421 2.449 20 30 FEEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000415841545 559277405 /nfs/dbraw/zinc/27/74/05/559277405.db2.gz NYKXENVLPFFLCK-IQUTYRLHSA-N 1 0 374.510 2.320 20 30 FEEDRO CC1(C)C[NH2+][C@H]1C1CCN(C(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000415848554 559278165 /nfs/dbraw/zinc/27/81/65/559278165.db2.gz DKIXAHGTQBIWQM-INIZCTEOSA-N 1 0 374.872 2.387 20 30 FEEDRO C[NH2+]Cc1ccc(NC(=O)N2CCN(c3cc(C#N)ccn3)CC2)cc1 ZINC000415995940 559287958 /nfs/dbraw/zinc/28/79/58/559287958.db2.gz YQACTGLPPUUIQE-UHFFFAOYSA-N 1 0 350.426 2.027 20 30 FEEDRO C[C@H](CNS(=O)(=O)c1cc(Br)ccc1C#N)[N@H+](C)C1CC1 ZINC000416389250 559309343 /nfs/dbraw/zinc/30/93/43/559309343.db2.gz PBHROOHPJOCKLO-SNVBAGLBSA-N 1 0 372.288 2.082 20 30 FEEDRO O=C(NCC#Cc1cccc(C(F)(F)F)c1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000416945091 559339717 /nfs/dbraw/zinc/33/97/17/559339717.db2.gz MKNHOKVIZMIWKW-QGZVFWFLSA-N 1 0 351.372 2.452 20 30 FEEDRO C[C@@H]1CCN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)C[C@H]1C[NH3+] ZINC000417573282 559367269 /nfs/dbraw/zinc/36/72/69/559367269.db2.gz HDLQRBWXXOSYFM-OIISXLGYSA-N 1 0 373.476 2.292 20 30 FEEDRO C[C@@H]1CN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)[C@@H](C)C[NH2+]1 ZINC000417583887 559367968 /nfs/dbraw/zinc/36/79/68/559367968.db2.gz WZLHWUXACUPGGH-IJEWVQPXSA-N 1 0 359.449 2.058 20 30 FEEDRO C[C@@H]1CN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)CC[C@@H]1[NH3+] ZINC000417584793 559367971 /nfs/dbraw/zinc/36/79/71/559367971.db2.gz YQBWNOKKYLSCLN-KMFMINBZSA-N 1 0 359.449 2.045 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N=c2cc(C)n(CC(F)(F)F)[nH]2)CC1 ZINC000417656185 559370784 /nfs/dbraw/zinc/37/07/84/559370784.db2.gz CXUWJRVIUGMXQI-UHFFFAOYSA-N 1 0 359.396 2.916 20 30 FEEDRO N#Cc1c(F)cccc1N1CCN(C(=O)N[C@H](C[NH3+])C2CCCCC2)CC1 ZINC000418364137 559399085 /nfs/dbraw/zinc/39/90/85/559399085.db2.gz NKSPHSVYDSLWFP-GOSISDBHSA-N 1 0 373.476 2.437 20 30 FEEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)NCC1(COC)CC[NH2+]CC1 ZINC000418619388 559408182 /nfs/dbraw/zinc/40/81/82/559408182.db2.gz BOOMTIZVYMKHFJ-UHFFFAOYSA-N 1 0 361.486 2.409 20 30 FEEDRO N#Cc1ccccc1N1CCCN(C(=O)N[C@H](C[NH3+])C2CCCC2)CC1 ZINC000418620893 559408284 /nfs/dbraw/zinc/40/82/84/559408284.db2.gz LHNOZTTXWOTIPE-GOSISDBHSA-N 1 0 355.486 2.297 20 30 FEEDRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000419327460 559437408 /nfs/dbraw/zinc/43/74/08/559437408.db2.gz CZZJJRGNCIKBAD-HUUCEWRRSA-N 1 0 356.388 2.324 20 30 FEEDRO CC[C@@](C[NH2+][C@@H](C)C(=O)NC1(C#N)CCC1)(C(=O)OC)c1ccccc1 ZINC000419365872 559439702 /nfs/dbraw/zinc/43/97/02/559439702.db2.gz YNOBBHGGZVHIKV-YWZLYKJASA-N 1 0 357.454 2.048 20 30 FEEDRO C[C@H]1CN(C(=O)N[C@H]2CCCc3cc(C#N)ccc32)CC[N@@H+]1CC(C)(C)O ZINC000419619006 559450239 /nfs/dbraw/zinc/45/02/39/559450239.db2.gz PEXXUMKCKDHEER-KXBFYZLASA-N 1 0 370.497 2.422 20 30 FEEDRO C=C(C)[C@@H](NC(=O)C(=O)N[C@H](C[NH3+])CCCC)c1ccc(F)c(F)c1 ZINC000419678573 559453431 /nfs/dbraw/zinc/45/34/31/559453431.db2.gz OJHYETHXTADHHA-XJKSGUPXSA-N 1 0 353.413 2.332 20 30 FEEDRO C=C(C)[C@H](NC(=O)C(=O)N1CCCC[C@H]1[C@@H](C)[NH3+])c1ccc(F)c(F)c1 ZINC000419679957 559453698 /nfs/dbraw/zinc/45/36/98/559453698.db2.gz QIVSUEMHACQIML-DQYPLSBCSA-N 1 0 365.424 2.427 20 30 FEEDRO CC(C)(CC#N)C[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000419777162 559459506 /nfs/dbraw/zinc/45/95/06/559459506.db2.gz LOHWZINDEAWFOK-UHFFFAOYSA-N 1 0 360.277 2.126 20 30 FEEDRO C=CCC[C@H]1NC(=O)N(CCC[NH+]2CCN(c3ccccc3)CC2)C1=O ZINC000419920842 559464599 /nfs/dbraw/zinc/46/45/99/559464599.db2.gz HDKKTXXLDIRJQY-GOSISDBHSA-N 1 0 356.470 2.085 20 30 FEEDRO C=CCC[C@@H]1NC(=O)N(Cc2ccccc2CN2CC[NH+](CC)CC2)C1=O ZINC000419921759 559464665 /nfs/dbraw/zinc/46/46/65/559464665.db2.gz IPSKAFCNJMHTCD-IBGZPJMESA-N 1 0 370.497 2.211 20 30 FEEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000419964637 559466727 /nfs/dbraw/zinc/46/67/27/559466727.db2.gz IZHFJPSBGIRVLG-IBGZPJMESA-N 1 0 370.497 2.321 20 30 FEEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000420098159 559472579 /nfs/dbraw/zinc/47/25/79/559472579.db2.gz ARLWCTOVDRTPBE-NEPJUHHUSA-N 1 0 355.891 2.173 20 30 FEEDRO N#Cc1c(Cl)cccc1S(=O)(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420457525 559488483 /nfs/dbraw/zinc/48/84/83/559488483.db2.gz OSWRJZWPIFRXIK-CHWSQXEVSA-N 1 0 353.875 2.222 20 30 FEEDRO CC(=O)N[C@H]1CC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)C1 ZINC000420976615 559516046 /nfs/dbraw/zinc/51/60/46/559516046.db2.gz BDBYRFTZYXZQIU-JSGCOSHPSA-N 1 0 374.510 2.284 20 30 FEEDRO C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000422083602 559564161 /nfs/dbraw/zinc/56/41/61/559564161.db2.gz IXDHFDFFMYLMOF-GUDVDZBRSA-N 1 0 355.482 2.033 20 30 FEEDRO C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000422350089 559580519 /nfs/dbraw/zinc/58/05/19/559580519.db2.gz AEKDXYAYJOGONH-SJLPKXTDSA-N 1 0 359.514 2.383 20 30 FEEDRO CC(C)(CC#N)CNC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000422482924 559591053 /nfs/dbraw/zinc/59/10/53/559591053.db2.gz UCOCRPVDSDGGPM-KRWDZBQOSA-N 1 0 362.518 2.157 20 30 FEEDRO C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000422487199 559591307 /nfs/dbraw/zinc/59/13/07/559591307.db2.gz HXGPLODEAUKWEL-OALUTQOASA-N 1 0 357.498 2.138 20 30 FEEDRO C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N1CC[C@H]([NH+](CC)CC)C1 ZINC000422536079 559593461 /nfs/dbraw/zinc/59/34/61/559593461.db2.gz CTIPPJOYNCSUKV-MOPGFXCFSA-N 1 0 357.498 2.233 20 30 FEEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000423021692 559615350 /nfs/dbraw/zinc/61/53/50/559615350.db2.gz FZCBLJNMAKGAHH-VXGBXAGGSA-N 1 0 355.891 2.125 20 30 FEEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000423127884 559620204 /nfs/dbraw/zinc/62/02/04/559620204.db2.gz PWRYKSWVXYKDAE-SFHVURJKSA-N 1 0 358.486 2.129 20 30 FEEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000423127883 559620251 /nfs/dbraw/zinc/62/02/51/559620251.db2.gz PWRYKSWVXYKDAE-GOSISDBHSA-N 1 0 358.486 2.129 20 30 FEEDRO CC(C)(C)C(=O)N1CCOc2ccc(NC(=O)[C@H]([NH3+])CCCC#N)cc21 ZINC000424104700 559654910 /nfs/dbraw/zinc/65/49/10/559654910.db2.gz TYMUKTLMRRYZCH-CQSZACIVSA-N 1 0 358.442 2.418 20 30 FEEDRO COC(=O)c1cccc(Cc2cnc(NC(=O)[C@H]([NH3+])CCCC#N)s2)c1 ZINC000424113937 559655171 /nfs/dbraw/zinc/65/51/71/559655171.db2.gz PDMJNGIMONDXET-OAHLLOKOSA-N 1 0 372.450 2.480 20 30 FEEDRO C=CCn1c(N2CC[NH+](C(C)(C)COC)CC2)nnc1[C@@]1(C)CCCO1 ZINC000424121495 559655492 /nfs/dbraw/zinc/65/54/92/559655492.db2.gz GDAORMSVAJWPNT-LJQANCHMSA-N 1 0 363.506 2.037 20 30 FEEDRO N#CCCC[C@@H]([NH3+])C(=O)Nc1ccc2c(c1)CCN2C(=O)c1cccnc1 ZINC000424145738 559656166 /nfs/dbraw/zinc/65/61/66/559656166.db2.gz OJYLEVWQYRLHJS-QGZVFWFLSA-N 1 0 363.421 2.244 20 30 FEEDRO C=C(C)Cn1c([C@@H]2CCCO2)nnc1N1CC[NH+](C(C)(C)COC)CC1 ZINC000424223747 559658421 /nfs/dbraw/zinc/65/84/21/559658421.db2.gz QPEMHAPLORLFQO-INIZCTEOSA-N 1 0 363.506 2.253 20 30 FEEDRO C=CCCn1cc(C(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)nn1 ZINC000424603104 559670961 /nfs/dbraw/zinc/67/09/61/559670961.db2.gz NVMPFQDSZZUGBG-UHFFFAOYSA-N 1 0 357.433 2.388 20 30 FEEDRO C=CCCn1cc(C(=O)N(CC[NH+](C)C)Cc2ccc(F)c(F)c2)nn1 ZINC000424613150 559671207 /nfs/dbraw/zinc/67/12/07/559671207.db2.gz GNYOTKVOHBWRIA-UHFFFAOYSA-N 1 0 363.412 2.336 20 30 FEEDRO Cc1cc(NCC2CCN(S(=O)(=O)c3ccccc3)CC2)c(C#N)cn1 ZINC000425217063 559691862 /nfs/dbraw/zinc/69/18/62/559691862.db2.gz AAGJWYXKJFIEEM-UHFFFAOYSA-N 1 0 370.478 2.196 20 30 FEEDRO C=CCn1cc(CNC(=O)NC[C@@H](CC)[N@@H+]2CCc3ccccc3C2)nn1 ZINC000425395960 559700115 /nfs/dbraw/zinc/70/01/15/559700115.db2.gz OPJFKUFUXIDKHI-LJQANCHMSA-N 1 0 368.485 2.100 20 30 FEEDRO C=CCn1cc(CNC(=O)N[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)nn1 ZINC000425484508 559704827 /nfs/dbraw/zinc/70/48/27/559704827.db2.gz JBZVUMRKCPMYBS-FUHWJXTLSA-N 1 0 368.485 2.174 20 30 FEEDRO N#Cc1ccccc1NC(=O)CC[NH2+][C@H](C1CCOCC1)C1(CO)CCC1 ZINC000425550136 559709230 /nfs/dbraw/zinc/70/92/30/559709230.db2.gz VXEPJJOLOAZRFF-HXUWFJFHSA-N 1 0 371.481 2.434 20 30 FEEDRO CC(C)[NH+]1CCC(NC(=O)C(=O)N(C)[C@H](C)c2cccc(C#N)c2)CC1 ZINC000425869016 559723389 /nfs/dbraw/zinc/72/33/89/559723389.db2.gz ULOZGFLTHHCTBU-OAHLLOKOSA-N 1 0 356.470 2.067 20 30 FEEDRO C[C@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000425896033 559724448 /nfs/dbraw/zinc/72/44/48/559724448.db2.gz WXBDTOUEHJRCKB-MRXNPFEDSA-N 1 0 370.497 2.316 20 30 FEEDRO C=C[C@H]1CCCCN1C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000426052777 559728413 /nfs/dbraw/zinc/72/84/13/559728413.db2.gz ZQJNPQVUWXQWJS-KRWDZBQOSA-N 1 0 364.534 2.363 20 30 FEEDRO C=CCCCS(=O)(=O)Nc1ccccc1C[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000427756164 559761560 /nfs/dbraw/zinc/76/15/60/559761560.db2.gz HEPHATTWMRZMFA-INIZCTEOSA-N 1 0 365.499 2.092 20 30 FEEDRO Cc1ccc(C)c(OC[C@@H](O)C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)c1 ZINC000428781557 559783168 /nfs/dbraw/zinc/78/31/68/559783168.db2.gz GZUKCNBMLYFUSG-RBUKOAKNSA-N 1 0 367.449 2.463 20 30 FEEDRO N#Cc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(F)c1 ZINC000433515253 559883422 /nfs/dbraw/zinc/88/34/22/559883422.db2.gz KJZCLNGPDNEAQO-MRXNPFEDSA-N 1 0 366.396 2.027 20 30 FEEDRO C[NH+](C)[C@@H]1CCOc2c(NC(=O)C(=O)N3CCC(C)(C#N)CC3)cccc21 ZINC000434834227 559910438 /nfs/dbraw/zinc/91/04/38/559910438.db2.gz OREZZEWRIVJZOO-MRXNPFEDSA-N 1 0 370.453 2.163 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000435742420 559929309 /nfs/dbraw/zinc/92/93/09/559929309.db2.gz UYGLVWQXSDOFAV-KDOFPFPSSA-N 1 0 364.398 2.217 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000437499544 559965231 /nfs/dbraw/zinc/96/52/31/559965231.db2.gz VLLRQBFLXRSYIC-RXVVDRJESA-N 1 0 357.498 2.296 20 30 FEEDRO C=C[C@](C)(CCOC)C(=O)NCc1ccc(N2CC[NH+](CC)CC2)nc1 ZINC000438046167 559973366 /nfs/dbraw/zinc/97/33/66/559973366.db2.gz FLJZAFATZCTGJE-HXUWFJFHSA-N 1 0 360.502 2.069 20 30 FEEDRO Cc1c(C#N)cccc1NC(=O)C(=O)NC[C@H]1CCCC[N@H+]1CC(C)C ZINC000439429420 559993743 /nfs/dbraw/zinc/99/37/43/559993743.db2.gz FJXOMXYOWJBYOO-QGZVFWFLSA-N 1 0 356.470 2.432 20 30 FEEDRO C[C@H]1CCCN(S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)[C@H]1C[NH3+] ZINC000440441978 560011158 /nfs/dbraw/zinc/01/11/58/560011158.db2.gz KJTNBYGCNMTEQL-HZMBPMFUSA-N 1 0 361.389 2.325 20 30 FEEDRO C[C@@H]1CCCN(S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)[C@H]1C[NH3+] ZINC000440441979 560011250 /nfs/dbraw/zinc/01/12/50/560011250.db2.gz KJTNBYGCNMTEQL-YGRLFVJLSA-N 1 0 361.389 2.325 20 30 FEEDRO N#Cc1ccc(CCC(=O)NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000440518573 560013335 /nfs/dbraw/zinc/01/33/35/560013335.db2.gz JTKUVMDJXYXPDU-JOCHJYFZSA-N 1 0 363.461 2.244 20 30 FEEDRO COc1ccccc1CCNC(=O)C[NH2+]Cc1ccc(C#N)c(OC)c1 ZINC000441368998 560030114 /nfs/dbraw/zinc/03/01/14/560030114.db2.gz LXFNJTIURUMBLU-UHFFFAOYSA-N 1 0 353.422 2.024 20 30 FEEDRO C[C@H]1C[C@H](NS(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)CC[N@@H+]1C ZINC000443239197 560075879 /nfs/dbraw/zinc/07/58/79/560075879.db2.gz HKLYADHHOZZTHT-GXFFZTMASA-N 1 0 361.389 2.338 20 30 FEEDRO C[NH+](C)CCO[C@@H]1CCN(c2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000443494848 560085473 /nfs/dbraw/zinc/08/54/73/560085473.db2.gz DNONPDRDKIGTJE-OAHLLOKOSA-N 1 0 355.398 2.172 20 30 FEEDRO CCN1CC[NH+](C[C@H](C)CNc2ccc(C(F)(F)F)c(C#N)n2)CC1 ZINC000443515080 560086005 /nfs/dbraw/zinc/08/60/05/560086005.db2.gz BBIYJBDOWPTVLG-CYBMUJFWSA-N 1 0 355.408 2.658 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNS(=O)(=O)c1cn(C(C)C)cn1)C(C)C ZINC000444106446 560101763 /nfs/dbraw/zinc/10/17/63/560101763.db2.gz GMKAGSUEHIFZEE-INIZCTEOSA-N 1 0 354.520 2.441 20 30 FEEDRO N#Cc1ccc(C2(C(=O)N3CC[C@H](OCC[NH+]4CCCC4)C3)CC2)cc1 ZINC000444235475 560106355 /nfs/dbraw/zinc/10/63/55/560106355.db2.gz IQLNCLJAWLVIOL-IBGZPJMESA-N 1 0 353.466 2.303 20 30 FEEDRO CC(C)(C#N)CCCC[NH+]1CCN(Cc2nnnn2-c2ccccc2)CC1 ZINC000444659205 560117916 /nfs/dbraw/zinc/11/79/16/560117916.db2.gz COGLZUNDBGPMOF-UHFFFAOYSA-N 1 0 367.501 2.500 20 30 FEEDRO N#Cc1ccc(Cl)c(NC(=O)C(=O)N2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000447250302 560158705 /nfs/dbraw/zinc/15/87/05/560158705.db2.gz YZUWBGMAUDIIRH-UHFFFAOYSA-N 1 0 374.872 2.485 20 30 FEEDRO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1C[C@@H](C)OC2(CCOCC2)C1 ZINC000447820800 560170080 /nfs/dbraw/zinc/17/00/80/560170080.db2.gz HZLVANMKAHRTAE-MJGOQNOKSA-N 1 0 361.482 2.425 20 30 FEEDRO CN1C2(CCC2)COC[C@]1(CO)C[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000527755003 562302626 /nfs/dbraw/zinc/30/26/26/562302626.db2.gz QXJKLODVALHLEY-OAQYLSRUSA-N 1 0 373.497 2.075 20 30 FEEDRO CN(C(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)C1CC[NH+](C)CC1 ZINC000448558533 560190217 /nfs/dbraw/zinc/19/02/17/560190217.db2.gz OOIVTXJYDOVXQH-AWEZNQCLSA-N 1 0 374.872 2.117 20 30 FEEDRO Cc1[nH]c(C#N)cc1C(=O)NCCC[N@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000448676869 560193566 /nfs/dbraw/zinc/19/35/66/560193566.db2.gz JZGDTPPKTJEZBN-HXUWFJFHSA-N 1 0 365.481 2.303 20 30 FEEDRO Cc1cccc(N2CC[NH+](CCCNC(=O)c3ccc(C#N)n3C)CC2)c1 ZINC000448683820 560194076 /nfs/dbraw/zinc/19/40/76/560194076.db2.gz CLAARHSNGOEFPE-UHFFFAOYSA-N 1 0 365.481 2.147 20 30 FEEDRO C[NH+](C)C1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1 ZINC000448941738 560207968 /nfs/dbraw/zinc/20/79/68/560207968.db2.gz NTUIULFLLKVEIL-AWEZNQCLSA-N 1 0 374.872 2.117 20 30 FEEDRO N#Cc1c(Br)cccc1OCC(=O)NCCC[NH+]1CCCC1 ZINC000449161480 560218478 /nfs/dbraw/zinc/21/84/78/560218478.db2.gz FSJKUGBCVRPUOY-UHFFFAOYSA-N 1 0 366.259 2.302 20 30 FEEDRO CC[N@@H+]1CCC[C@H]1CNC(=O)COc1ccc(C#N)c(Br)c1 ZINC000449172747 560218929 /nfs/dbraw/zinc/21/89/29/560218929.db2.gz DDGGNIWFFSWJDT-ZDUSSCGKSA-N 1 0 366.259 2.300 20 30 FEEDRO C[NH+](C)[C@@H](CNC(=O)COc1cccc(Br)c1C#N)C1CC1 ZINC000449797644 560240350 /nfs/dbraw/zinc/24/03/50/560240350.db2.gz ZHQYAKUOXBXPNX-AWEZNQCLSA-N 1 0 366.259 2.156 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)NC1CC[NH+](CCOc2ccc(F)cc2)CC1 ZINC000449897404 560244586 /nfs/dbraw/zinc/24/45/86/560244586.db2.gz BGSMONWQSYDFPR-MOPGFXCFSA-N 1 0 362.445 2.376 20 30 FEEDRO Cc1[nH]c(C#N)cc1C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cn1 ZINC000450133036 560251668 /nfs/dbraw/zinc/25/16/68/560251668.db2.gz KFPWLAROKSIWQY-UHFFFAOYSA-N 1 0 352.442 2.373 20 30 FEEDRO C[C@@H]1C[NH+](C)C[C@@H](C)N1C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 ZINC000450241792 560255469 /nfs/dbraw/zinc/25/54/69/560255469.db2.gz MTJNBDUDTDNKSZ-UMVBOHGHSA-N 1 0 374.872 2.116 20 30 FEEDRO C=CC[N@H+](C[C@@H]1CCNC(=O)CC1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000450392708 560261109 /nfs/dbraw/zinc/26/11/09/560261109.db2.gz NPXLCJWHWKLBFV-HOTGVXAUSA-N 1 0 354.458 2.128 20 30 FEEDRO C[C@H](c1ccccc1)[C@@H](O)C[N@@H+]1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000450480654 560263620 /nfs/dbraw/zinc/26/36/20/560263620.db2.gz BWQLYKFMWIDODR-FCEWJHQRSA-N 1 0 351.454 2.023 20 30 FEEDRO C[NH+](C)CCN(C(=O)COc1cccc(Br)c1C#N)C1CC1 ZINC000450717678 560271286 /nfs/dbraw/zinc/27/12/86/560271286.db2.gz QTGBRWIZDKJEKP-UHFFFAOYSA-N 1 0 366.259 2.252 20 30 FEEDRO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@H](CO)[C@H]2CC)cc1 ZINC000451257696 560296383 /nfs/dbraw/zinc/29/63/83/560296383.db2.gz VUEPAEVTPPFIRF-VQIMIIECSA-N 1 0 359.470 2.425 20 30 FEEDRO C[NH+](C)[C@@]1(CNS(=O)(=O)c2ccc(CC#N)cc2Cl)CCSC1 ZINC000451270081 560297268 /nfs/dbraw/zinc/29/72/68/560297268.db2.gz BCUXQWPIRJJUQH-OAHLLOKOSA-N 1 0 373.931 2.122 20 30 FEEDRO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1C[C@H](O)C[C@H]1[C@H]1CCCOC1 ZINC000451301507 560299050 /nfs/dbraw/zinc/29/90/50/560299050.db2.gz NOMHEESBUBHNOB-NMLBUPMWSA-N 1 0 361.482 2.017 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000451604814 560317071 /nfs/dbraw/zinc/31/70/71/560317071.db2.gz BUJDDZXUIUEDNA-CFVMTHIKSA-N 1 0 360.223 2.261 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000451648969 560319203 /nfs/dbraw/zinc/31/92/03/560319203.db2.gz APDXWUSKKLAFCD-BBWFWOEESA-N 1 0 365.543 2.038 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]CCC(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000451670886 560321096 /nfs/dbraw/zinc/32/10/96/560321096.db2.gz DPTLHNUNIKOZOB-MSOLQXFVSA-N 1 0 357.454 2.465 20 30 FEEDRO C[C@@H]1CN(CC(=O)N[C@](C)(C#N)C2CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000451706070 560323396 /nfs/dbraw/zinc/32/33/96/560323396.db2.gz JRKFHOLUSKXZNO-LAUBAEHRSA-N 1 0 354.498 2.249 20 30 FEEDRO CCO[C@@H]1COC[C@H]1[NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000451944276 560339764 /nfs/dbraw/zinc/33/97/64/560339764.db2.gz NTZBUSHFQARFIQ-HUUCEWRRSA-N 1 0 363.483 2.221 20 30 FEEDRO CSc1nc(C2CC2)cc(C(=O)NC[C@H]2CCC[N@@H+]2CCCO)c1C#N ZINC000452779227 560373784 /nfs/dbraw/zinc/37/37/84/560373784.db2.gz FROCCNZROXJQRK-CQSZACIVSA-N 1 0 374.510 2.129 20 30 FEEDRO C=CCn1c([C@@H]2CC[C@H](C)O2)nnc1N1CC[N@H+](CCOC)[C@@H](CC)C1 ZINC000453413470 560386174 /nfs/dbraw/zinc/38/61/74/560386174.db2.gz KMXAQPUJKFTCES-ULQDDVLXSA-N 1 0 363.506 2.251 20 30 FEEDRO C=CCn1c([C@@H]2CCCCO2)nnc1N1CC[N@@H+](CCOCC)[C@@H](C)C1 ZINC000453440919 560386627 /nfs/dbraw/zinc/38/66/27/560386627.db2.gz NPFXRTACKFJYGX-IRXDYDNUSA-N 1 0 363.506 2.253 20 30 FEEDRO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1cccc(CC#N)c1)c1ccc(F)cc1 ZINC000453608169 560390981 /nfs/dbraw/zinc/39/09/81/560390981.db2.gz UCNQVOATJAQDRJ-GOSISDBHSA-N 1 0 368.412 2.249 20 30 FEEDRO Cc1cc(C#N)cc(NC(=O)C(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)c1 ZINC000453611090 560391187 /nfs/dbraw/zinc/39/11/87/560391187.db2.gz ZARQWRHTZHJKQK-GOSISDBHSA-N 1 0 368.412 2.363 20 30 FEEDRO CC(C)C[C@@H](C[NH+](C)C)NC(=O)C(=O)Nc1ccc(CC#N)cc1Cl ZINC000453627959 560391912 /nfs/dbraw/zinc/39/19/12/560391912.db2.gz WLSXYTFDJPCMJH-AWEZNQCLSA-N 1 0 364.877 2.437 20 30 FEEDRO Cc1cc(C#N)cc(NC(=O)C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000453654056 560393671 /nfs/dbraw/zinc/39/36/71/560393671.db2.gz HQBWQYFTBNECGN-MRXNPFEDSA-N 1 0 354.454 2.140 20 30 FEEDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)Nc1ccc(CC#N)cc1Cl ZINC000453709969 560398507 /nfs/dbraw/zinc/39/85/07/560398507.db2.gz MTCGAFIUDKWLOH-AWEZNQCLSA-N 1 0 362.861 2.145 20 30 FEEDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)C(=O)Nc1ccc(CC#N)cc1Cl ZINC000453756148 560401907 /nfs/dbraw/zinc/40/19/07/560401907.db2.gz PUQWSYXWYMQFRH-GUYCJALGSA-N 1 0 374.872 2.430 20 30 FEEDRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)C(=O)Nc3ccc(CC#N)cc3Cl)C2)C1 ZINC000453772721 560403365 /nfs/dbraw/zinc/40/33/65/560403365.db2.gz QFRMWXSTTUFDAG-LJQANCHMSA-N 1 0 374.872 2.289 20 30 FEEDRO CCN1CC[NH+](C[C@H](C)CNC(=O)Nc2cnc(C#N)c(Cl)c2)CC1 ZINC000455775514 560494463 /nfs/dbraw/zinc/49/44/63/560494463.db2.gz DRBXZHDAUPJPFJ-CYBMUJFWSA-N 1 0 364.881 2.002 20 30 FEEDRO CC[NH+]1CCN(CC(C)(C)NC(=O)CSCc2ccc(C#N)cc2)CC1 ZINC000456876153 560535052 /nfs/dbraw/zinc/53/50/52/560535052.db2.gz AQUJWAFIMVXXPP-UHFFFAOYSA-N 1 0 374.554 2.324 20 30 FEEDRO COC1CC[NH+](C2(CNC(=O)c3cc(C)c(C#N)cn3)CCCC2)CC1 ZINC000457544027 560573421 /nfs/dbraw/zinc/57/34/21/560573421.db2.gz CBWMDKSZNFEOQD-UHFFFAOYSA-N 1 0 356.470 2.415 20 30 FEEDRO C=CCC(C)(C)CNC(=O)N1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000458805787 560649354 /nfs/dbraw/zinc/64/93/54/560649354.db2.gz AXXANJUVQSXQSK-SFHVURJKSA-N 1 0 366.550 2.025 20 30 FEEDRO N#CC[C@@H]1CC[C@H](NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)C1 ZINC000459006942 560661575 /nfs/dbraw/zinc/66/15/75/560661575.db2.gz JFCGQOYWKONRRN-LEAZDLGRSA-N 1 0 370.497 2.251 20 30 FEEDRO N#CC[C@@H]1CC[C@H](NC(=O)NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000459007508 560661599 /nfs/dbraw/zinc/66/15/99/560661599.db2.gz JVVBYSUBYHMIBC-QRFRQXIXSA-N 1 0 356.470 2.005 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1NC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000459038706 560663099 /nfs/dbraw/zinc/66/30/99/560663099.db2.gz WKTHGXJDNXGDMP-HAGHYFMRSA-N 1 0 355.482 2.493 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000459036933 560663121 /nfs/dbraw/zinc/66/31/21/560663121.db2.gz DWHZZCNTVKNQLY-MOPGFXCFSA-N 1 0 356.470 2.365 20 30 FEEDRO C[N@H+](CCN1CCN(C(=O)NCC(C)(C)CC#N)CC1)Cc1ccccc1 ZINC000459260539 560676465 /nfs/dbraw/zinc/67/64/65/560676465.db2.gz QPTIUDVFGRTWNI-UHFFFAOYSA-N 1 0 371.529 2.385 20 30 FEEDRO Cc1nn(C)c(C)c1CN1CCN(Cc2c(C#N)cccc2[N+](=O)[O-])CC1 ZINC000459336838 560680538 /nfs/dbraw/zinc/68/05/38/560680538.db2.gz PVIJFADIEVXYRC-UHFFFAOYSA-N 1 0 368.441 2.135 20 30 FEEDRO CC(C)[C@@](C)([NH2+]CC(=O)Nc1ccccc1SC[C@@H](C)C#N)C(N)=O ZINC000459491483 560689447 /nfs/dbraw/zinc/68/94/47/560689447.db2.gz XKSAJWDIRBLJKH-SCLBCKFNSA-N 1 0 362.499 2.366 20 30 FEEDRO Cc1cccc(N(CCC#N)C(=O)C[NH2+]C2(CO)CCSCC2)c1C ZINC000459702952 560703178 /nfs/dbraw/zinc/70/31/78/560703178.db2.gz DNLFGWWMHLANLC-UHFFFAOYSA-N 1 0 361.511 2.398 20 30 FEEDRO C=CCN(C)C(=O)C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000459907103 560718629 /nfs/dbraw/zinc/71/86/29/560718629.db2.gz KOKQHYWEMGCPFE-OAQYLSRUSA-N 1 0 355.482 2.146 20 30 FEEDRO C=CCN(CCc1ccccc1)C(=O)C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000460073972 560733350 /nfs/dbraw/zinc/73/33/50/560733350.db2.gz YKRJOFGHPFLAAB-UHFFFAOYSA-N 1 0 357.498 2.044 20 30 FEEDRO CN(CCOCc1ccc(C#N)cc1)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000460133687 560736111 /nfs/dbraw/zinc/73/61/11/560736111.db2.gz YUTYTYJBWRFOLK-RBUKOAKNSA-N 1 0 356.470 2.343 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@@H]1CCCCC[C@H]1C(N)=O)C(C)C ZINC000466221444 560882185 /nfs/dbraw/zinc/88/21/85/560882185.db2.gz DWSWJHWRBLCQLG-KZNAEPCWSA-N 1 0 364.534 2.418 20 30 FEEDRO C=CCC[N@@H+](C)CC(=O)Nc1ccc(S(=O)(=O)N(CC)CC)cc1 ZINC000467300198 560908128 /nfs/dbraw/zinc/90/81/28/560908128.db2.gz PBCXZEJXLJUBIW-UHFFFAOYSA-N 1 0 353.488 2.164 20 30 FEEDRO C=CCN1C(=O)c2ccc(C(=O)NC[C@H]3[N@H+](C)CCCC3(C)C)cc2C1=O ZINC000468472324 560930753 /nfs/dbraw/zinc/93/07/53/560930753.db2.gz JSNMFKAJHRHVEN-QGZVFWFLSA-N 1 0 369.465 2.319 20 30 FEEDRO CCOCCOCC[N@H+](C)[C@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000469851517 560966615 /nfs/dbraw/zinc/96/66/15/560966615.db2.gz IWDZOBTWCRHZJO-TVRKMHQQSA-N 1 0 353.507 2.291 20 30 FEEDRO COc1ccc(C#N)cc1C[N@H+](C)C[C@@H]1C[C@H](F)CN1Cc1ccnn1C ZINC000470815284 560990480 /nfs/dbraw/zinc/99/04/80/560990480.db2.gz IITMYIHVZFZKPM-HKUYNNGSSA-N 1 0 371.460 2.345 20 30 FEEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1C[C@@H](OCc2ccccc2)C1(C)C ZINC000471855044 561013047 /nfs/dbraw/zinc/01/30/47/561013047.db2.gz DQEMUSOPJVBXHS-USXIJHARSA-N 1 0 359.470 2.360 20 30 FEEDRO Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N3CCC[N@@H+](C(C)C)CC3)C2)n1 ZINC000471875884 561013498 /nfs/dbraw/zinc/01/34/98/561013498.db2.gz KAWAKYCCIMHORL-LJQANCHMSA-N 1 0 369.513 2.421 20 30 FEEDRO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCSC[C@H]1CC(=O)OC ZINC000476572428 561123004 /nfs/dbraw/zinc/12/30/04/561123004.db2.gz QFCCBZZFPCLOQQ-IAGOWNOFSA-N 1 0 365.495 2.135 20 30 FEEDRO COc1cccc([C@H]2[C@H](NC(=O)c3cnn(C)c3C#N)CC[N@@H+]2C2CC2)c1 ZINC000476603771 561124114 /nfs/dbraw/zinc/12/41/14/561124114.db2.gz WIZBGUFFHFPNLR-MJGOQNOKSA-N 1 0 365.437 2.008 20 30 FEEDRO O=C1c2ccccc2C(=O)N1CC#CC[N@@H+]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000528420965 562328395 /nfs/dbraw/zinc/32/83/95/562328395.db2.gz MWGNADUIHSNMOM-IRXDYDNUSA-N 1 0 352.434 2.035 20 30 FEEDRO CC(C)(C)[C@@H]1CC[N@H+](CC#CCN2C(=O)c3ccccc3C2=O)C[C@H]1O ZINC000528441359 562329595 /nfs/dbraw/zinc/32/95/95/562329595.db2.gz UOLLHLDDFLOCRB-QZTJIDSGSA-N 1 0 354.450 2.015 20 30 FEEDRO O=C1c2ccccc2C(=O)N1CC#CC[N@@H+]1CCC[C@@H]1C1CCOCC1 ZINC000528442588 562329611 /nfs/dbraw/zinc/32/96/11/562329611.db2.gz ZLASDCOGUNXICV-LJQANCHMSA-N 1 0 352.434 2.177 20 30 FEEDRO C[C@](O)(C1CC[NH+](C[C@H](O)COc2ccccc2C#N)CC1)C(F)(F)F ZINC000528452021 562330079 /nfs/dbraw/zinc/33/00/79/562330079.db2.gz KMRCTQHWSNZXCU-RDJZCZTQSA-N 1 0 372.387 2.323 20 30 FEEDRO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](O)COc1ccccc1C#N ZINC000528493340 562332120 /nfs/dbraw/zinc/33/21/20/562332120.db2.gz PPUWDEHPDLSKNT-QYZOEREBSA-N 1 0 364.449 2.352 20 30 FEEDRO CO[C@H]1C[C@@H]([N@H+](C)CC#CCN2C(=O)c3ccccc3C2=O)C12CCC2 ZINC000528515460 562333343 /nfs/dbraw/zinc/33/33/43/562333343.db2.gz AAUDULZDNMXRNK-MSOLQXFVSA-N 1 0 352.434 2.175 20 30 FEEDRO COCCc1noc(CC2CC[NH+](C[C@H](O)c3ccc(C#N)cc3)CC2)n1 ZINC000528618173 562338421 /nfs/dbraw/zinc/33/84/21/562338421.db2.gz HWWQUWQKUNABSK-SFHVURJKSA-N 1 0 370.453 2.118 20 30 FEEDRO N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@](O)(c2ccccc2)C1 ZINC000528658520 562340631 /nfs/dbraw/zinc/34/06/31/562340631.db2.gz PQYKBMBJYVWPSK-PZJWPPBQSA-N 1 0 352.434 2.282 20 30 FEEDRO COc1cc(CNC(=O)Nc2ccc3c(c2)OCC[NH2+]C3)ccc1C#N ZINC000528707509 562342998 /nfs/dbraw/zinc/34/29/98/562342998.db2.gz OMKARIGVMZGCFH-UHFFFAOYSA-N 1 0 352.394 2.371 20 30 FEEDRO Cc1nc(C#N)c(N2CCC(C(=O)NC[C@@H]3CC[N@@H+]3C3CCCC3)CC2)o1 ZINC000530026774 562395031 /nfs/dbraw/zinc/39/50/31/562395031.db2.gz IXAKARTYBNXHMG-KRWDZBQOSA-N 1 0 371.485 2.204 20 30 FEEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+]C[C@@H]2CCN2C2CCCCC2)c1 ZINC000530236432 562403237 /nfs/dbraw/zinc/40/32/37/562403237.db2.gz OCGVLNUMELMZJK-SFHVURJKSA-N 1 0 361.511 2.329 20 30 FEEDRO COc1ccc(C#N)cc1NC(=O)N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000532351067 562474944 /nfs/dbraw/zinc/47/49/44/562474944.db2.gz ADQHCJDKSGOSHJ-QGZVFWFLSA-N 1 0 371.485 2.199 20 30 FEEDRO N#Cc1cccc(NC(=O)C2CC[NH+](CCOC[C@H]3CCCO3)CC2)c1 ZINC000533038263 562496328 /nfs/dbraw/zinc/49/63/28/562496328.db2.gz MXNIKKRZKQFVGP-LJQANCHMSA-N 1 0 357.454 2.404 20 30 FEEDRO CN(C(=O)c1cc(C#N)c[nH]1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000534359259 562532782 /nfs/dbraw/zinc/53/27/82/562532782.db2.gz HCBQSBPDICDUDK-OALUTQOASA-N 1 0 357.502 2.296 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)NCCOc2cccc(C(F)(F)F)n2)CC1 ZINC000534636498 562538867 /nfs/dbraw/zinc/53/88/67/562538867.db2.gz HJGYCZGFLBUXGT-UHFFFAOYSA-N 1 0 372.391 2.429 20 30 FEEDRO C=CCOc1ccc(C[N@@H+]2CCN(c3nccn4cnnc34)[C@H](C)C2)cc1 ZINC000535822498 562569002 /nfs/dbraw/zinc/56/90/02/562569002.db2.gz HSOWJWHKGQNEST-MRXNPFEDSA-N 1 0 364.453 2.400 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N[C@H](CO)c2cccc(Cl)c2F)CC1 ZINC000540978639 562599318 /nfs/dbraw/zinc/59/93/18/562599318.db2.gz ZWXDANBGTYCLKN-OAHLLOKOSA-N 1 0 355.841 2.462 20 30 FEEDRO CCCNC(=O)c1cccc(C[NH2+]C[C@H](O)COc2ccc(C#N)cc2)c1 ZINC000550192862 562643897 /nfs/dbraw/zinc/64/38/97/562643897.db2.gz RKYIWIDOYVSLKC-IBGZPJMESA-N 1 0 367.449 2.228 20 30 FEEDRO CN(CC[NH+]1CCCC1)C(=O)C(=O)Nc1scc(C(C)(C)C)c1C#N ZINC000556128229 674389236 /nfs/dbraw/zinc/38/92/36/674389236.db2.gz BRTGZQTUPBLYJJ-UHFFFAOYSA-N 1 0 362.499 2.410 20 30 FEEDRO Cc1ccc(CN2CC[C@H]([NH2+]C[C@@H](O)CC3(C#N)CCOCC3)C2)cc1 ZINC000601966393 567889224 /nfs/dbraw/zinc/88/92/24/567889224.db2.gz AJJUGONQMBVOTO-PMACEKPBSA-N 1 0 357.498 2.230 20 30 FEEDRO N#CCCCCNC(=O)C(=O)N[C@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC000602244550 567959044 /nfs/dbraw/zinc/95/90/44/567959044.db2.gz HJKZHEXBTISGIH-IBGZPJMESA-N 1 0 370.497 2.357 20 30 FEEDRO N#CCc1ccc(CNC(=O)c2nnn(C3CC[NH2+]CC3)c2C(F)F)cc1 ZINC000602515522 567986508 /nfs/dbraw/zinc/98/65/08/567986508.db2.gz XLYPEYRRHDIKNX-UHFFFAOYSA-N 1 0 374.395 2.136 20 30 FEEDRO C[C@@H]1C[N@@H+](CCCCCn2nnc(-c3ccccc3)n2)C[C@H](C)N1CC#N ZINC000602858791 568003090 /nfs/dbraw/zinc/00/30/90/568003090.db2.gz VHVBZZZFDYVOKJ-HDICACEKSA-N 1 0 367.501 2.429 20 30 FEEDRO CCN(Cc1ccc2c(c1)OCCO2)C(=O)CN(C)[C@H]1CCC[C@H]1C#N ZINC000602975365 568035818 /nfs/dbraw/zinc/03/58/18/568035818.db2.gz ABAXIMIMIRKMSP-IRXDYDNUSA-N 1 0 357.454 2.430 20 30 FEEDRO CC(C)OCc1ccc(CNC(=O)CN2C[C@H](C)N(CC#N)[C@@H](C)C2)cc1 ZINC000602860497 568049478 /nfs/dbraw/zinc/04/94/78/568049478.db2.gz IVVCRSBJZMDKEN-ROUUACIJSA-N 1 0 372.513 2.146 20 30 FEEDRO C[C@H](C(=O)N(CCC#N)c1ccccc1)n1cc(C2CC[NH2+]CC2)nn1 ZINC000603177925 568068236 /nfs/dbraw/zinc/06/82/36/568068236.db2.gz QZBZCLWQMIGNPF-OAHLLOKOSA-N 1 0 352.442 2.253 20 30 FEEDRO C[C@@H]([NH3+])C1CCN(S(=O)(=O)c2cccc(Br)c2C#N)CC1 ZINC000564570261 568106730 /nfs/dbraw/zinc/10/67/30/568106730.db2.gz TZMPBRVQJIKKCI-SNVBAGLBSA-N 1 0 372.288 2.069 20 30 FEEDRO N#CC1(NC(=O)C[NH+]2C[C@H]3CN(c4ccccc4)C[C@@H]3C2)CCCCC1 ZINC000603864511 568161616 /nfs/dbraw/zinc/16/16/16/568161616.db2.gz HMKMYTCOWLEWJW-ROUUACIJSA-N 1 0 352.482 2.397 20 30 FEEDRO Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NCc1ccc(CC#N)cc1 ZINC000563104647 568190572 /nfs/dbraw/zinc/19/05/72/568190572.db2.gz ZRAINOJHTNYJAJ-UHFFFAOYSA-N 1 0 364.449 2.378 20 30 FEEDRO CCCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2cnc3c(C#N)cnn3c2)C1 ZINC000568884344 568247886 /nfs/dbraw/zinc/24/78/86/568247886.db2.gz CITMJMDRVFTJCR-ZBFHGGJFSA-N 1 0 354.458 2.118 20 30 FEEDRO C[C@@]1(C[NH3+])CCN(C(=O)NC2CCC(Oc3ncccc3C#N)CC2)C1 ZINC000568966462 568258152 /nfs/dbraw/zinc/25/81/52/568258152.db2.gz RXKRHMPNDGQUMW-RJYAGPCLSA-N 1 0 357.458 2.024 20 30 FEEDRO COC(=O)c1cn(CC(=O)N(CCC#N)CCC[NH+](C)C)c2ccccc12 ZINC000604564665 568316903 /nfs/dbraw/zinc/31/69/03/568316903.db2.gz LGAAFSUTJKIYDY-UHFFFAOYSA-N 1 0 370.453 2.122 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)CO[C@H]2CCCc3ccccc32)c1C#N ZINC000569303216 568351763 /nfs/dbraw/zinc/35/17/63/568351763.db2.gz YZYYMMLUDBFUCL-SFHVURJKSA-N 1 0 367.453 2.466 20 30 FEEDRO COc1cc(C#N)ccc1OCC[NH2+][C@@H]1CCC[C@@H]2CN(C(C)=O)C[C@@H]21 ZINC000570242924 568465509 /nfs/dbraw/zinc/46/55/09/568465509.db2.gz BANJWDCMACDFDQ-FGTMMUONSA-N 1 0 357.454 2.182 20 30 FEEDRO C=CC[NH+](CC=C)CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2 ZINC000735418378 598944900 /nfs/dbraw/zinc/94/49/00/598944900.db2.gz CDXYJMRNFDAPQB-UHFFFAOYSA-N 1 0 358.471 2.420 20 30 FEEDRO CC(C)(C#N)CC[N@@H+]1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000735571794 599122766 /nfs/dbraw/zinc/12/27/66/599122766.db2.gz JWWCSEBMCFIDKR-UHFFFAOYSA-N 1 0 353.474 2.314 20 30 FEEDRO C=CCCCCCCNC(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000807572549 674420444 /nfs/dbraw/zinc/42/04/44/674420444.db2.gz LEHBSHSHBKCWRD-QGZVFWFLSA-N 1 0 350.507 2.071 20 30 FEEDRO C#CCCS(=O)(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000808284213 674449991 /nfs/dbraw/zinc/44/99/91/674449991.db2.gz LMCHHSJRLBZDJO-UHFFFAOYSA-N 1 0 373.316 2.166 20 30 FEEDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1-c1nn[nH]n1)c1cccc(C#N)c1 ZINC000820414266 599389864 /nfs/dbraw/zinc/38/98/64/599389864.db2.gz XFJBDYZAAZHPPM-OLZOCXBDSA-N 1 0 361.409 2.416 20 30 FEEDRO CC[N@@H+]1CCC[C@H]1CNC(=S)N(C)CCOCc1ccc(C#N)cc1 ZINC000809164556 674485913 /nfs/dbraw/zinc/48/59/13/674485913.db2.gz XSOPSNLRYXIIHR-SFHVURJKSA-N 1 0 360.527 2.365 20 30 FEEDRO CN(C)CC[N@H+](C)CCCNC(=S)Nc1ccc(C#N)c(Cl)c1 ZINC000809161025 674485965 /nfs/dbraw/zinc/48/59/65/674485965.db2.gz PCMUSHBEXALAPD-UHFFFAOYSA-N 1 0 353.923 2.382 20 30 FEEDRO C#CC[N@H+](CC)CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCCC2 ZINC000819701360 606073748 /nfs/dbraw/zinc/07/37/48/606073748.db2.gz DTYRIQKDGAJJCP-UHFFFAOYSA-N 1 0 372.498 2.481 20 30 FEEDRO C#CC[N@H+](CC)CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCC2 ZINC000819701466 606073983 /nfs/dbraw/zinc/07/39/83/606073983.db2.gz IMUQYHCELYLOFL-UHFFFAOYSA-N 1 0 358.471 2.091 20 30 FEEDRO Cc1ccc(C#N)c(N2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)n1 ZINC000822225145 607227052 /nfs/dbraw/zinc/22/70/52/607227052.db2.gz QDAVVTCWHCIVLC-UHFFFAOYSA-N 1 0 374.452 2.154 20 30 FEEDRO Cn1cc(C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)c(-c2ccc(C#N)cc2)n1 ZINC000826361675 609337912 /nfs/dbraw/zinc/33/79/12/609337912.db2.gz IGNXNPPBLMAUKV-UHFFFAOYSA-N 1 0 370.420 2.429 20 30 FEEDRO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)OC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000811446030 674604273 /nfs/dbraw/zinc/60/42/73/674604273.db2.gz RXAKWCQYIHJHHO-DOPJRALCSA-N 1 0 355.454 2.185 20 30 FEEDRO CCOC(=O)C1CCC([N@H+](CC)CC(=O)N(CC)C[C@H](C)C#N)CC1 ZINC000560978383 674628325 /nfs/dbraw/zinc/62/83/25/674628325.db2.gz FVJCDTSNRPWVHQ-KLAILNCOSA-N 1 0 351.491 2.438 20 30 FEEDRO CCN(CC)S(=O)(=O)c1ccc(N=NC(C)C2CC[NH+](C)CC2)nc1 ZINC000814747938 674877863 /nfs/dbraw/zinc/87/78/63/674877863.db2.gz WRBYZXHODRWULU-UHFFFAOYSA-N 1 0 367.519 2.242 20 30 FEEDRO C#CC[N@H+](C)CCCNS(=O)(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000815082997 674914039 /nfs/dbraw/zinc/91/40/39/674914039.db2.gz KGMYIGQCQZDFHT-UHFFFAOYSA-N 1 0 352.353 2.078 20 30 FEEDRO C#CC[N@H+](C)CCCNS(=O)(=O)c1ccc2c(c1)Cc1ccccc1-2 ZINC000815083405 674914563 /nfs/dbraw/zinc/91/45/63/674914563.db2.gz WTCQZKUTMBVFKJ-UHFFFAOYSA-N 1 0 354.475 2.491 20 30 FEEDRO C=CCS(=O)(=O)CC[NH2+][C@H]1CCc2cccc(Br)c2C1 ZINC000815134877 674922592 /nfs/dbraw/zinc/92/25/92/674922592.db2.gz KVIIQMLTPFGJRO-ZDUSSCGKSA-N 1 0 358.301 2.497 20 30 FEEDRO C=CCNC(=S)C(C(=O)c1ccc(F)c(F)c1)[n+]1cccc(CO)c1 ZINC000022687406 670042889 /nfs/dbraw/zinc/04/28/89/670042889.db2.gz YUZCRRYIXUOQFL-UHFFFAOYSA-O 1 0 363.409 2.459 20 30 FEEDRO C[C@H](CC#N)N(C)S(=O)(=O)NC[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000565083513 675093554 /nfs/dbraw/zinc/09/35/54/675093554.db2.gz OFAIGPULWOBLSN-HIFRSBDPSA-N 1 0 372.922 2.054 20 30 FEEDRO CC[NH+]=C(NCc1cc(Cl)c2c(c1)OCCO2)NC[C@@H]1CCCO1 ZINC000072720280 670497498 /nfs/dbraw/zinc/49/74/98/670497498.db2.gz ZXDQSGZSDOMPRF-ZDUSSCGKSA-N 1 0 353.850 2.345 20 30 FEEDRO COc1ccc([C@@H](CCC#N)[NH2+]C2CCN(S(C)(=O)=O)CC2)cc1 ZINC000570734056 670761393 /nfs/dbraw/zinc/76/13/93/670761393.db2.gz UHGSIICGNZDKMV-QGZVFWFLSA-N 1 0 351.472 2.054 20 30 FEEDRO CCN(CC)C(=[NH2+])NCc1ccccc1S(=O)(=O)N1CCCCC1 ZINC000104159314 670790603 /nfs/dbraw/zinc/79/06/03/670790603.db2.gz YARUXNACEUWDEH-UHFFFAOYSA-N 1 0 352.504 2.018 20 30 FEEDRO N#Cc1cccc(CC[NH2+][C@H]2CCCc3cc(S(N)(=O)=O)ccc32)c1 ZINC000571185311 670831946 /nfs/dbraw/zinc/83/19/46/670831946.db2.gz QZRYMDWQDIKJHZ-IBGZPJMESA-N 1 0 355.463 2.415 20 30 FEEDRO O=C(NCC[NH2+]Cc1ccccc1Br)C1N=CC=CC1=O ZINC000113360762 670884321 /nfs/dbraw/zinc/88/43/21/670884321.db2.gz FYRJNUIDSZDNIA-PFONDFGASA-N 1 0 350.216 2.065 20 30 FEEDRO C[C@@H](C[NH2+]C[C@@H](O)CN(C)CCC#N)Oc1ccccc1Br ZINC000566111717 675182060 /nfs/dbraw/zinc/18/20/60/675182060.db2.gz FNFAAKJILOHBQU-UONOGXRCSA-N 1 0 370.291 2.012 20 30 FEEDRO COCCC[N@H+](C)CCNc1c(C#N)cnc2c(F)c(F)c(F)cc21 ZINC000575148020 671301516 /nfs/dbraw/zinc/30/15/16/671301516.db2.gz VPQWXLMDTSONNF-UHFFFAOYSA-N 1 0 352.360 2.326 20 30 FEEDRO Cc1ncc(S(=O)(=O)N2C[C@H](C)NCc3ccc(F)cc32)cc1C#N ZINC000575936429 671332289 /nfs/dbraw/zinc/33/22/89/671332289.db2.gz UKPXMGGJEDMPCT-NSHDSACASA-N 1 0 360.414 2.088 20 30 FEEDRO N#CC1(NC(=O)CN2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)CCC1 ZINC000576086980 671343092 /nfs/dbraw/zinc/34/30/92/671343092.db2.gz PBYDIHIQWRGBML-ZDUSSCGKSA-N 1 0 359.392 2.230 20 30 FEEDRO CCC(CC)[C@@H]1C[C@@H]([NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)CCO1 ZINC000577099575 671416691 /nfs/dbraw/zinc/41/66/91/671416691.db2.gz DPRBJSSOISJIFW-IRXDYDNUSA-N 1 0 365.499 2.300 20 30 FEEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000609403378 675921337 /nfs/dbraw/zinc/92/13/37/675921337.db2.gz QVGOIDAMISIKAR-UONOGXRCSA-N 1 0 360.483 2.087 20 30 FEEDRO CC(C)[C@H]([NH2+]C[C@@H](O)COc1ccc(CC#N)cc1)[C@H](O)C(F)(F)F ZINC000577850981 671624225 /nfs/dbraw/zinc/62/42/25/671624225.db2.gz WKBDJBUHQDGETG-KBMXLJTQSA-N 1 0 360.376 2.030 20 30 FEEDRO CC(C)[N@H+](C)C[C@H](C)NC(=O)Nc1ccc(S(=O)(=O)[C@H](C)C#N)cc1 ZINC000579292235 671725096 /nfs/dbraw/zinc/72/50/96/671725096.db2.gz BYYMCEGEMNNGNV-UONOGXRCSA-N 1 0 366.487 2.223 20 30 FEEDRO CC(C)OC(=O)CC[C@@H](C)[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000581484661 671902252 /nfs/dbraw/zinc/90/22/52/671902252.db2.gz XDNNEUOTXLNICL-CQSZACIVSA-N 1 0 352.456 2.042 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@H]2CCCOc3ccccc32)nc1 ZINC000581809176 671937722 /nfs/dbraw/zinc/93/77/22/671937722.db2.gz HAJDUQRZHJFIPJ-INIZCTEOSA-N 1 0 357.435 2.230 20 30 FEEDRO CC[NH+](CC)CC#C[C@H](C)OC(=O)c1cccc(CS(C)(=O)=O)c1 ZINC000121326027 671946616 /nfs/dbraw/zinc/94/66/16/671946616.db2.gz HYROAYNONRNJMD-HNNXBMFYSA-N 1 0 351.468 2.122 20 30 FEEDRO CC(C)(C)c1csc(NC(=O)C(=O)N2CC[NH+]3CCC2CC3)c1C#N ZINC000582374337 671995507 /nfs/dbraw/zinc/99/55/07/671995507.db2.gz LROMMHNREYDUMX-UHFFFAOYSA-N 1 0 360.483 2.162 20 30 FEEDRO Cc1nc(NC(=O)c2ccn(CC[NH+](C)C)n2)sc1SCC#N ZINC000582973229 672051576 /nfs/dbraw/zinc/05/15/76/672051576.db2.gz SFTKDJZDFKOTSN-UHFFFAOYSA-N 1 0 350.473 2.078 20 30 FEEDRO [NH2+]=C(NC[C@@H](CO)Cc1ccc(OC(F)(F)F)cc1)NCC1CCC1 ZINC000128884889 672054186 /nfs/dbraw/zinc/05/41/86/672054186.db2.gz DAJPOFMLLPEFQH-AWEZNQCLSA-N 1 0 359.392 2.441 20 30 FEEDRO CCc1cnc(CNC(NC2CCN(c3ccccn3)CC2)=[NH+]C)s1 ZINC000130431760 672075417 /nfs/dbraw/zinc/07/54/17/672075417.db2.gz BQEKQFVJGOZTSI-UHFFFAOYSA-N 1 0 358.515 2.435 20 30 FEEDRO CSC[C@H]1CCC[N@@H+]1CN1CC(=O)N(Cc2ccc(C#N)cc2)C1=O ZINC000130948248 672081646 /nfs/dbraw/zinc/08/16/46/672081646.db2.gz PZLUWXBAEZELSH-MRXNPFEDSA-N 1 0 358.467 2.107 20 30 FEEDRO C[C@H]1C[C@H]1[N@@H+]1CCN([C@@H]2CCN(c3sccc3C#N)C2=O)C[C@@H](C)C1 ZINC000583358344 672087120 /nfs/dbraw/zinc/08/71/20/672087120.db2.gz RVHDSUPDPQOKJF-YALNPMBYSA-N 1 0 358.511 2.387 20 30 FEEDRO CC[C@@H](C)c1ccc(NC(=[NH2+])NC[C@H]2CCCN2S(C)(=O)=O)cc1 ZINC000133937064 672117420 /nfs/dbraw/zinc/11/74/20/672117420.db2.gz HSGUWIWGMRZVSG-CZUORRHYSA-N 1 0 352.504 2.351 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N(C)Cc2nc([C@H](C)SCC)no2)CC1 ZINC000135486603 672133808 /nfs/dbraw/zinc/13/38/08/672133808.db2.gz DKJYFESCRYUAEX-ZDUSSCGKSA-N 1 0 350.488 2.187 20 30 FEEDRO C=CCN1C(=S)N=NC1c1sc(NC(=O)C[C@@H]2CCC[NH2+]2)nc1C ZINC000150896739 672153990 /nfs/dbraw/zinc/15/39/90/672153990.db2.gz IGCFTSSODRUCAQ-JTQLQIEISA-N 1 0 364.500 2.265 20 30 FEEDRO C=CCc1ccccc1OC[C@H](O)C[NH2+][C@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000584108821 672156683 /nfs/dbraw/zinc/15/66/83/672156683.db2.gz VJVRKHAILXNWOL-RCCFBDPRSA-N 1 0 367.511 2.100 20 30 FEEDRO CCc1cccc(NC(=[NH2+])NCCNS(=O)(=O)c2ccc(C)s2)c1 ZINC000151422886 672162707 /nfs/dbraw/zinc/16/27/07/672162707.db2.gz MXGNMAZYNIRDBB-UHFFFAOYSA-N 1 0 366.512 2.324 20 30 FEEDRO C[NH+]=C(NC[C@H](c1ccco1)N(C)C)N1CCN(c2cccs2)CC1 ZINC000158904944 672274526 /nfs/dbraw/zinc/27/45/26/672274526.db2.gz FKUSDVANSNPDNX-OAHLLOKOSA-N 1 0 361.515 2.341 20 30 FEEDRO CCOC(=O)N1CCC(NC(=[NH2+])NCCO[C@@H]2CCCC[C@@H]2C)CC1 ZINC000170904187 672326939 /nfs/dbraw/zinc/32/69/39/672326939.db2.gz SVWNQNWJGLTPCG-GOEBONIOSA-N 1 0 354.495 2.107 20 30 FEEDRO CC(C)(C)OC(=O)N1CCN(C(=[NH2+])NCCSC(F)(F)F)CC1 ZINC000170905195 672327042 /nfs/dbraw/zinc/32/70/42/672327042.db2.gz VYXOIGXESFHJIE-UHFFFAOYSA-N 1 0 356.414 2.107 20 30 FEEDRO CCOC(=O)N[C@H](CNC(=[NH2+])NCc1ccccc1OC)CC(C)C ZINC000170906872 672327071 /nfs/dbraw/zinc/32/70/71/672327071.db2.gz QQGZFJDQBIBPAP-HNNXBMFYSA-N 1 0 350.463 2.260 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccc(S(=O)(=O)CC)cc2)CC1 ZINC000171737088 672335076 /nfs/dbraw/zinc/33/50/76/672335076.db2.gz DNSRTQXARWGVDL-UHFFFAOYSA-N 1 0 351.472 2.252 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N2CCC[C@@H](CCC(=O)OCC)C2)CC1 ZINC000179033543 672398367 /nfs/dbraw/zinc/39/83/67/672398367.db2.gz RJQGPAGKOYUHPI-INIZCTEOSA-N 1 0 351.491 2.402 20 30 FEEDRO C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)N1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000179108057 672398874 /nfs/dbraw/zinc/39/88/74/672398874.db2.gz AVQZNMWDYQQQCW-XQLPTFJDSA-N 1 0 351.491 2.039 20 30 FEEDRO C=CC[C@@H](C)[NH2+][C@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000180947286 672420190 /nfs/dbraw/zinc/42/01/90/672420190.db2.gz CKPRRLOSWXTXBX-CHWSQXEVSA-N 1 0 360.501 2.027 20 30 FEEDRO N#Cc1ccc(F)c(CS(=O)(=O)NCCCCC[NH+]2CCCC2)c1 ZINC000590167421 672562873 /nfs/dbraw/zinc/56/28/73/672562873.db2.gz GCVVHCBRBHMUEV-UHFFFAOYSA-N 1 0 353.463 2.383 20 30 FEEDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)C#Cc1ccc(C(F)(F)F)cc1 ZINC000191268495 672662569 /nfs/dbraw/zinc/66/25/69/672662569.db2.gz LISFSBXJTNZVBP-INIZCTEOSA-N 1 0 354.372 2.284 20 30 FEEDRO C[C@H]([C@H](C)NC(=O)C#Cc1ccc(C(F)(F)F)cc1)N1CCOCC1 ZINC000191293627 672662868 /nfs/dbraw/zinc/66/28/68/672662868.db2.gz RCFKPJMMNUOCEO-UONOGXRCSA-N 1 0 354.372 2.282 20 30 FEEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000591292094 672666724 /nfs/dbraw/zinc/66/67/24/672666724.db2.gz HCWFFQAUCCEXNM-KBPBESRZSA-N 1 0 360.483 2.217 20 30 FEEDRO N#Cc1ccc(N2CCN(C(=O)NC[C@@H]3CCCC[NH2+]3)CC2)c(Cl)c1 ZINC000591358781 672676290 /nfs/dbraw/zinc/67/62/90/672676290.db2.gz DIRSFYCXJNDKMU-HNNXBMFYSA-N 1 0 361.877 2.185 20 30 FEEDRO C[C@@H](OC[C@@H](O)C[NH2+]C1CCN(CC#N)CC1)c1ccc(Cl)cc1 ZINC000591736331 672706667 /nfs/dbraw/zinc/70/66/67/672706667.db2.gz OZBWVZVPBIUDDQ-KDOFPFPSSA-N 1 0 351.878 2.356 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H]2[C@H]3CCc4ccccc4[C@@H]23)nc1 ZINC000591755221 672708602 /nfs/dbraw/zinc/70/86/02/672708602.db2.gz ROPHOZLIWFJWTO-QXAKKESOSA-N 1 0 353.447 2.045 20 30 FEEDRO CC[NH+](CC)[C@H](CNC(=O)N1CC[C@](O)(CC#N)C1)c1ccsc1 ZINC000591911880 672720186 /nfs/dbraw/zinc/72/01/86/672720186.db2.gz JJBRXGLCNFWWTF-NVXWUHKLSA-N 1 0 350.488 2.191 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)CCn2cc(Br)cn2)CC1 ZINC000592071250 672746805 /nfs/dbraw/zinc/74/68/05/672746805.db2.gz QCMPWEIYBNTZCE-UHFFFAOYSA-N 1 0 355.280 2.192 20 30 FEEDRO N#CCCC[C@H]([NH3+])C(=O)N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1 ZINC000592145169 672763583 /nfs/dbraw/zinc/76/35/83/672763583.db2.gz PSCGYAROWDPKMH-ZFWWWQNUSA-N 1 0 354.376 2.421 20 30 FEEDRO N#CCc1ccc(CS(=O)(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000592391044 672796808 /nfs/dbraw/zinc/79/68/08/672796808.db2.gz RVFBEQXGKOSYFB-RTBURBONSA-N 1 0 361.511 2.294 20 30 FEEDRO CN(C(=O)Cc1ccc(Br)cc1C#N)C1CC[NH+](C)CC1 ZINC000593028574 672865553 /nfs/dbraw/zinc/86/55/53/672865553.db2.gz PZCXSMGBAYBSGT-UHFFFAOYSA-N 1 0 350.260 2.416 20 30 FEEDRO CC[C@H]1C[N@H+](C)CCN1C(=O)Cc1ccc(Br)cc1C#N ZINC000593165340 672885898 /nfs/dbraw/zinc/88/58/98/672885898.db2.gz DNSCLELLCPAGIX-HNNXBMFYSA-N 1 0 350.260 2.416 20 30 FEEDRO C[NH+]=C(NCc1sc(C)nc1C)N1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000261645020 672900512 /nfs/dbraw/zinc/90/05/12/672900512.db2.gz DOHCDKWCPQIUBE-ZDUSSCGKSA-N 1 0 352.504 2.499 20 30 FEEDRO CCc1nsc(N2CCN(C(NCCc3cccs3)=[NH+]C)CC2)n1 ZINC000261811597 672903479 /nfs/dbraw/zinc/90/34/79/672903479.db2.gz SPVJZSVTUVTAFV-UHFFFAOYSA-N 1 0 364.544 2.102 20 30 FEEDRO [NH2+]=C(NCCNC(=O)c1ccc(Br)cc1)NC1CCCC1 ZINC000261882901 672904894 /nfs/dbraw/zinc/90/48/94/672904894.db2.gz RITDUQZMMMIMGQ-UHFFFAOYSA-N 1 0 353.264 2.026 20 30 FEEDRO CC[NH+]=C(NC[C@H](c1ccsc1)N(C)C)N1CC[C@@]2(CCOC2)C1 ZINC000261982552 672906806 /nfs/dbraw/zinc/90/68/06/672906806.db2.gz PEYFOHNKWBXIPW-SJLPKXTDSA-N 1 0 350.532 2.429 20 30 FEEDRO CC[NH+]=C(NCc1ccccc1OCC)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261983397 672906814 /nfs/dbraw/zinc/90/68/14/672906814.db2.gz PLOQIDCQGUQZBT-UHFFFAOYSA-N 1 0 367.515 2.060 20 30 FEEDRO CN(C)C(NCc1ccc(NS(C)(=O)=O)cc1)=[NH+]Cc1ccccc1 ZINC000261987886 672907084 /nfs/dbraw/zinc/90/70/84/672907084.db2.gz KSAPNWIVFVOOTQ-UHFFFAOYSA-N 1 0 360.483 2.266 20 30 FEEDRO [NH2+]=C(NCc1nccn1C(F)F)N1CCN(c2ccc(F)cc2)CC1 ZINC000262013645 672907846 /nfs/dbraw/zinc/90/78/46/672907846.db2.gz VCQFJGCATFDVEY-UHFFFAOYSA-N 1 0 352.364 2.054 20 30 FEEDRO Cc1cc(CNC(=[NH2+])NC[C@H]2CCCO2)ccc1I ZINC000262155528 672909760 /nfs/dbraw/zinc/90/97/60/672909760.db2.gz NNLHMBKDSGGPBA-GFCCVEGCSA-N 1 0 373.238 2.183 20 30 FEEDRO O=S1(=O)CC[C@@H](CNC(=[NH+]C2CC2)N2CCC3(C2)CCCCC3)C1 ZINC000262339423 672913535 /nfs/dbraw/zinc/91/35/35/672913535.db2.gz CHEULLZSOBSQNN-HNNXBMFYSA-N 1 0 353.532 2.185 20 30 FEEDRO [NH2+]=C(NC[C@H](N1CCOCC1)C(F)(F)F)Nc1ccc2c(c1)CCC2 ZINC000262669754 672919138 /nfs/dbraw/zinc/91/91/38/672919138.db2.gz QMFVWHODCOCFAK-HNNXBMFYSA-N 1 0 356.392 2.165 20 30 FEEDRO CCC[NH+]1CCN(C(=O)Cc2ccc(Br)cc2C#N)CC1 ZINC000593449657 672925026 /nfs/dbraw/zinc/92/50/26/672925026.db2.gz CZKLHXXGXSTESR-UHFFFAOYSA-N 1 0 350.260 2.417 20 30 FEEDRO C[C@@H]1[C@H](C)N(C(=O)Cc2ccc(Br)cc2C#N)CC[N@H+]1C ZINC000593577665 672949663 /nfs/dbraw/zinc/94/96/63/672949663.db2.gz GEOWQLJMNNCKQL-NEPJUHHUSA-N 1 0 350.260 2.414 20 30 FEEDRO N#Cc1sccc1S(=O)(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000593588859 672952089 /nfs/dbraw/zinc/95/20/89/672952089.db2.gz NSWUWMHTXLVNBX-OAHLLOKOSA-N 1 0 361.492 2.420 20 30 FEEDRO N#Cc1ccc(-n2ccc(NC(=O)NCCC3(C[NH3+])CC3)n2)c(Cl)c1 ZINC000593763095 672988960 /nfs/dbraw/zinc/98/89/60/672988960.db2.gz DXWVMNZCUORLOM-UHFFFAOYSA-N 1 0 358.833 2.648 20 30 FEEDRO COc1ccc(CCNC(=[NH2+])NCCCNC(=O)OC(C)(C)C)cc1 ZINC000303408769 673016926 /nfs/dbraw/zinc/01/69/26/673016926.db2.gz UKDUBMZGGVLWKN-UHFFFAOYSA-N 1 0 350.463 2.057 20 30 FEEDRO Cc1ccc([C@@H](CNC(=[NH2+])NCCc2cccs2)N2CCOCC2)o1 ZINC000303784578 673017287 /nfs/dbraw/zinc/01/72/87/673017287.db2.gz PIAFGNNDGGREFJ-MRXNPFEDSA-N 1 0 362.499 2.170 20 30 FEEDRO C[NH+]=C(NCCN1CCOCC1)NCC(C)(C)Cc1cccc(Cl)c1 ZINC000305018551 673021254 /nfs/dbraw/zinc/02/12/54/673021254.db2.gz MXQCEDZDLPVIOH-UHFFFAOYSA-N 1 0 366.937 2.406 20 30 FEEDRO C#CCOc1ccc(Br)cc1C[NH2+]CC(C)(C)OCCO ZINC000314752765 673033032 /nfs/dbraw/zinc/03/30/32/673033032.db2.gz IZPKPRMORKLTOH-UHFFFAOYSA-N 1 0 356.260 2.338 20 30 FEEDRO COC(=O)c1ccc(NC(=O)[C@H]([NH3+])CCCCC#N)c(OC(F)F)c1 ZINC000594434282 673071343 /nfs/dbraw/zinc/07/13/43/673071343.db2.gz MIJCBYSNMKOYFZ-LLVKDONJSA-N 1 0 355.341 2.424 20 30 FEEDRO CSCC[C@@H](NC(=O)[C@@H]([NH3+])CCCCC#N)c1nnc2ccccn21 ZINC000594440614 673072081 /nfs/dbraw/zinc/07/20/81/673072081.db2.gz HAFRORKGDFQYLZ-UONOGXRCSA-N 1 0 360.487 2.051 20 30 FEEDRO CC[C@@H]1OCCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000329117482 673072282 /nfs/dbraw/zinc/07/22/82/673072282.db2.gz NXBFKTJEDUGSSU-QHEDDYRISA-N 1 0 351.491 2.232 20 30 FEEDRO CN1CC[C@H]([NH+]2CCC(NC(=O)Cc3ccc(O)cc3Cl)CC2)C1=O ZINC000329158597 673073088 /nfs/dbraw/zinc/07/30/88/673073088.db2.gz DOFPGRPKSFPDCC-INIZCTEOSA-N 1 0 365.861 2.240 20 30 FEEDRO CO[C@@H]1[C@H](C)[C@H](NC(=O)N2C[C@@H](OC)C[C@H]2C[NH+]2CCCC2)C1(C)C ZINC000329373577 673076249 /nfs/dbraw/zinc/07/62/49/673076249.db2.gz JXSMLWUAQUYOFH-JSRQGNBESA-N 1 0 353.507 2.145 20 30 FEEDRO C[C@H](NC(=O)C1CCCCC1)C(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000329607975 673080143 /nfs/dbraw/zinc/08/01/43/673080143.db2.gz MYHOMHYMQRDQMD-JKSUJKDBSA-N 1 0 351.491 2.092 20 30 FEEDRO CC[NH+]=C(NCC1CCN(S(C)(=O)=O)CC1)NC1C[C@H](C)C[C@H](C)C1 ZINC000330362938 673088272 /nfs/dbraw/zinc/08/82/72/673088272.db2.gz HJSUQLCNZXRPMY-FKEKPDDDSA-N 1 0 372.579 2.038 20 30 FEEDRO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594939473 673179569 /nfs/dbraw/zinc/17/95/69/673179569.db2.gz BUFPZJFLBAMWPV-SJLPKXTDSA-N 1 0 361.511 2.439 20 30 FEEDRO Cc1cc(C#N)ccc1S(=O)(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000595119521 673196939 /nfs/dbraw/zinc/19/69/39/673196939.db2.gz DOCUXNOISOTEBP-QZTJIDSGSA-N 1 0 355.463 2.291 20 30 FEEDRO CCS(=O)(=O)N1CCC([C@@H](C)[N@H+](C)CCc2ccc(C#N)cc2)CC1 ZINC000595498364 673258267 /nfs/dbraw/zinc/25/82/67/673258267.db2.gz RUBITRVWIYXNKU-MRXNPFEDSA-N 1 0 363.527 2.483 20 30 FEEDRO CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+]CC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000595631682 673276330 /nfs/dbraw/zinc/27/63/30/673276330.db2.gz JWNAGLUBXQLBDE-MJEQTWJJSA-N 1 0 365.861 2.306 20 30 FEEDRO C=CCCSCCNC(=O)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000596719476 673407010 /nfs/dbraw/zinc/40/70/10/673407010.db2.gz STZRQMWUWRFZAB-SFHVURJKSA-N 1 0 363.527 2.362 20 30 FEEDRO C=CCCSCCNC(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000596722590 673407286 /nfs/dbraw/zinc/40/72/86/673407286.db2.gz WKNDYBWWPSDTGG-HDICACEKSA-N 1 0 368.591 2.496 20 30 FEEDRO C=CCCSCCNC(=O)C(=O)NC[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000597224034 673458073 /nfs/dbraw/zinc/45/80/73/673458073.db2.gz BZEHVOCHXCJDOW-MAUKXSAKSA-N 1 0 355.548 2.039 20 30 FEEDRO C=CCCSCCNC(=O)C(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000597303077 673466016 /nfs/dbraw/zinc/46/60/16/673466016.db2.gz DMLBXKGNFDJYBA-HOTGVXAUSA-N 1 0 367.559 2.181 20 30 FEEDRO COc1ccc(CC[NH2+][C@H](C)c2ccc(C#N)cc2)cc1S(N)(=O)=O ZINC000539506391 673493645 /nfs/dbraw/zinc/49/36/45/673493645.db2.gz DUPYCMMBCNWXIQ-CYBMUJFWSA-N 1 0 359.451 2.108 20 30 FEEDRO N#Cc1csc(C[NH2+]C[C@H]2CCCN(c3nccn4cnnc34)C2)c1 ZINC000539520568 673494215 /nfs/dbraw/zinc/49/42/15/673494215.db2.gz OCMLSTYJXAZPSB-CYBMUJFWSA-N 1 0 353.455 2.064 20 30 FEEDRO COC(=O)c1cnc([C@H]2CCC[N@H+](C[C@H](O)CC(C)(C)C#N)C2)s1 ZINC000598628215 673592667 /nfs/dbraw/zinc/59/26/67/673592667.db2.gz LSGVRCGRSAIOTP-QWHCGFSZSA-N 1 0 351.472 2.410 20 30 FEEDRO CC(C)(C#N)C[C@H](O)C[NH2+]C[C@H](O)COc1cccc(C(F)(F)F)c1 ZINC000598699154 673599804 /nfs/dbraw/zinc/59/98/04/673599804.db2.gz BWWAZDPTAXMYLI-KBPBESRZSA-N 1 0 360.376 2.335 20 30 FEEDRO CCN(CC)S(=O)(=O)c1ccc(C[NH2+]C[C@H](O)CC(C)(C)C#N)s1 ZINC000598715425 673602598 /nfs/dbraw/zinc/60/25/98/673602598.db2.gz QHUOBDHDKNXKFX-CYBMUJFWSA-N 1 0 373.544 2.169 20 30 FEEDRO C[C@@H]1[C@H]([NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)CCS1(=O)=O ZINC000599002775 673627713 /nfs/dbraw/zinc/62/77/13/673627713.db2.gz BBUHDLJKJGERKM-RHSMWYFYSA-N 1 0 358.467 2.129 20 30 FEEDRO C[C@H](c1ccc([S@](C)=O)cc1)[N@H+](C)C[C@H](O)CC1(C#N)CCOCC1 ZINC000599308840 673656550 /nfs/dbraw/zinc/65/65/50/673656550.db2.gz YBLWIZNHNUVWND-HMFAJSFMSA-N 1 0 364.511 2.488 20 30 FEEDRO CC[N@@H+]1CCC(N=Nc2ncnc3c2c(Br)nn3C)[C@@H](C)C1 ZINC000741464007 673687974 /nfs/dbraw/zinc/68/79/74/673687974.db2.gz LVBIHDQFWHOMEJ-VIFPVBQESA-N 1 0 366.267 2.255 20 30 FEEDRO C[C@H]1CC[C@@H](NC(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)C[NH2+]1 ZINC000599603798 673696326 /nfs/dbraw/zinc/69/63/26/673696326.db2.gz IZRLZVSEVAIMDT-WCQYABFASA-N 1 0 358.833 2.659 20 30 FEEDRO N#Cc1c(F)cccc1S(=O)(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000742291705 673719314 /nfs/dbraw/zinc/71/93/14/673719314.db2.gz IMKGOAHENNKVPU-CQSZACIVSA-N 1 0 351.447 2.336 20 30 FEEDRO CC(C)[C@@H](C[NH2+]C[C@H](O)CC1(C#N)CCOCC1)N1CCC(C)CC1 ZINC000600717777 673794194 /nfs/dbraw/zinc/79/41/94/673794194.db2.gz NOLNFFPMNUTMOK-RTBURBONSA-N 1 0 351.535 2.404 20 30 FEEDRO C[C@@]1(C[NH2+]C[C@H](O)CC2(C#N)CCOCC2)OCCc2sccc21 ZINC000600739226 673795447 /nfs/dbraw/zinc/79/54/47/673795447.db2.gz AHXGKWKHDMRYAP-PBHICJAKSA-N 1 0 350.484 2.197 20 30 FEEDRO Cc1cc(F)cc(C#N)c1S(=O)(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC000601387201 673853150 /nfs/dbraw/zinc/85/31/50/673853150.db2.gz PVKYVSQQFPLTTE-ZDUSSCGKSA-N 1 0 353.463 2.357 20 30 FEEDRO N#CCc1cccc(S(=O)(=O)N2CCCN(c3cc[nH+]cc3)CC2)c1 ZINC000601520540 673876366 /nfs/dbraw/zinc/87/63/66/673876366.db2.gz LYEPKVJWMCGDDQ-UHFFFAOYSA-N 1 0 356.451 2.049 20 30 FEEDRO CCO[C@@H]1COCC[C@@H]1[NH2+][C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000547883942 673897035 /nfs/dbraw/zinc/89/70/35/673897035.db2.gz ZUAVCMUUTFKXFX-TUKIKUTGSA-N 1 0 363.483 2.219 20 30 FEEDRO CCO[C@@H]1COCC[C@H]1[NH2+][C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000547883940 673897195 /nfs/dbraw/zinc/89/71/95/673897195.db2.gz ZUAVCMUUTFKXFX-KCPJHIHWSA-N 1 0 363.483 2.219 20 30 FEEDRO Cc1nc(SCC(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)c(C#N)c(C)c1C ZINC000601971155 673900524 /nfs/dbraw/zinc/90/05/24/673900524.db2.gz VAYLSSQGHRWDMA-KDURUIRLSA-N 1 0 358.511 2.429 20 30 FEEDRO C[C@H](Oc1ccccc1C#N)C(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000602542168 673907569 /nfs/dbraw/zinc/90/75/69/673907569.db2.gz UVTMZTZEKVNXEU-IACUBPJLSA-N 1 0 355.360 2.311 20 30 FEEDRO C[C@H](Oc1ccccc1C#N)C(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000602542169 673907749 /nfs/dbraw/zinc/90/77/49/673907749.db2.gz UVTMZTZEKVNXEU-UBHSHLNASA-N 1 0 355.360 2.311 20 30 FEEDRO C[NH+](C)C[C@]1(O)CCCN(Cc2ccc(C#N)cc2Br)C1 ZINC000602876660 673912207 /nfs/dbraw/zinc/91/22/07/673912207.db2.gz IFTDVPQCYIIYIQ-MRXNPFEDSA-N 1 0 352.276 2.209 20 30 FEEDRO C[NH+](C)C[C@H]1COC2(CCCC2)CN1CC(=O)Nc1sccc1C#N ZINC000602910575 673913569 /nfs/dbraw/zinc/91/35/69/673913569.db2.gz ANYQTOMZBMDPJI-HNNXBMFYSA-N 1 0 362.499 2.133 20 30 FEEDRO N#Cc1cc(Br)ccc1Cn1cc([C@@H]([NH3+])[C@H]2CCCO2)nn1 ZINC000603241337 673919455 /nfs/dbraw/zinc/91/94/55/673919455.db2.gz KKDKCNSATOMMLC-HUUCEWRRSA-N 1 0 362.231 2.139 20 30 FEEDRO C[C@H]1CCCC[N@@H+]1CCCNc1ccc(C#N)cc1CS(N)(=O)=O ZINC000603268107 673920135 /nfs/dbraw/zinc/92/01/35/673920135.db2.gz FLZGUQJNGYEHOZ-AWEZNQCLSA-N 1 0 350.488 2.023 20 30 FEEDRO COc1cc(C#N)ccc1S(=O)(=O)N1CCCC[C@@H]1[C@H](C)C[NH+](C)C ZINC000603391928 673929516 /nfs/dbraw/zinc/92/95/16/673929516.db2.gz VLVNCASRJBQLSG-GDBMZVCRSA-N 1 0 365.499 2.308 20 30 FEEDRO COC(=O)C1CC[NH+](CCCNC(=O)c2ccc(C#N)c(Cl)c2)CC1 ZINC000548306861 673949274 /nfs/dbraw/zinc/94/92/74/673949274.db2.gz DIRHSRMORHALHQ-UHFFFAOYSA-N 1 0 363.845 2.217 20 30 FEEDRO C=CCn1c(CC)nnc1N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000548839594 674000390 /nfs/dbraw/zinc/00/03/90/674000390.db2.gz RMVWYLHZQGUZQK-UHFFFAOYSA-N 1 0 361.412 2.118 20 30 FEEDRO C=C[C@H](CC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccccc1 ZINC000566293433 675201348 /nfs/dbraw/zinc/20/13/48/675201348.db2.gz SKXBUYPIEUFWEY-GDBMZVCRSA-N 1 0 355.404 2.299 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)COc1ccc(Br)cc1F ZINC000818584204 675226173 /nfs/dbraw/zinc/22/61/73/675226173.db2.gz HNMCRZKKYGOMIL-UHFFFAOYSA-N 1 0 357.223 2.038 20 30 FEEDRO C#CC[N@@H+](C)CCCNC(=O)c1nc(CC)n(-c2ccccc2Cl)n1 ZINC000818588949 675226553 /nfs/dbraw/zinc/22/65/53/675226553.db2.gz KKSVQLWRIYRERX-UHFFFAOYSA-N 1 0 359.861 2.168 20 30 FEEDRO CSc1ccc(OC[C@H](O)C[NH2+]CCNc2ccc(C#N)cn2)cc1 ZINC000818952402 675246061 /nfs/dbraw/zinc/24/60/61/675246061.db2.gz KVZWHKUNBVWEBO-OAHLLOKOSA-N 1 0 358.467 2.117 20 30 FEEDRO C=CCOc1ccc(C[NH2+]C[C@H](O)c2ccc(S(C)(=O)=O)cc2)cc1 ZINC000819303345 675279074 /nfs/dbraw/zinc/27/90/74/675279074.db2.gz CVTDRDWAMYXAEF-IBGZPJMESA-N 1 0 361.463 2.478 20 30 FEEDRO N#Cc1cnn(-c2ccccc2)c1NC(=O)CSCC1CC[NH2+]CC1 ZINC000567382335 675289174 /nfs/dbraw/zinc/28/91/74/675289174.db2.gz CLFOBPYFPVNSDN-UHFFFAOYSA-N 1 0 355.467 2.415 20 30 FEEDRO C[C@@H]1CN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)[C@@H](C)C[N@@H+]1C ZINC000819452292 675291643 /nfs/dbraw/zinc/29/16/43/675291643.db2.gz KKYPPNDQVLCHBJ-QLFBSQMISA-N 1 0 352.479 2.125 20 30 FEEDRO C#C[C@H](NC(=O)NCCN(C)CCC[NH+](C)C)c1ccc(Cl)cc1 ZINC000820552652 675369233 /nfs/dbraw/zinc/36/92/33/675369233.db2.gz KVPUGKRXGLQHJP-KRWDZBQOSA-N 1 0 350.894 2.197 20 30 FEEDRO C#CCN(CC(=O)NC[C@H](C)[N@@H+]1CCC[C@H](C)C1)C(=O)OC(C)(C)C ZINC000822059227 675467588 /nfs/dbraw/zinc/46/75/88/675467588.db2.gz PSXWZDSSISZFHZ-HOTGVXAUSA-N 1 0 351.491 2.093 20 30 FEEDRO C#CCN(CC(=O)OC(C)(C)C)C(=O)N[C@H](C)C[NH+]1CCC(C)CC1 ZINC000822688347 675500770 /nfs/dbraw/zinc/50/07/70/675500770.db2.gz NVMDCGAWWLBPOG-MRXNPFEDSA-N 1 0 351.491 2.093 20 30 FEEDRO C#CCN(CC(=O)N(C)C1CC[NH+](CCC)CC1)C(=O)OC(C)(C)C ZINC000823180899 675534650 /nfs/dbraw/zinc/53/46/50/675534650.db2.gz AELOPMZGKRHKQE-UHFFFAOYSA-N 1 0 351.491 2.190 20 30 FEEDRO C#CCN(CC(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1)C(=O)OC(C)(C)C ZINC000823333227 675545451 /nfs/dbraw/zinc/54/54/51/675545451.db2.gz URPRGMCPYOLMIY-JKSUJKDBSA-N 1 0 351.491 2.093 20 30 FEEDRO C=CC1(CC(=O)N(CC)[C@@H]2CC[N@H+](C)C2)CN(C(=O)OC(C)(C)C)C1 ZINC000824841789 675625222 /nfs/dbraw/zinc/62/52/22/675625222.db2.gz NQVXJRYWEVHKJA-OAHLLOKOSA-N 1 0 351.491 2.352 20 30 FEEDRO C=CC1(CC(=O)N[C@@H]2CC[N@@H+](CCC)C2)CN(C(=O)OC(C)(C)C)C1 ZINC000825625571 675661513 /nfs/dbraw/zinc/66/15/13/675661513.db2.gz NJAUAFKMXZBPJA-OAHLLOKOSA-N 1 0 351.491 2.400 20 30 FEEDRO C=CC1(CC(=O)N2C[C@@H](CC)[NH2+][C@@H](C)C2)CN(C(=O)OC(C)(C)C)C1 ZINC000826678872 675699926 /nfs/dbraw/zinc/69/99/26/675699926.db2.gz LYWOPCJSYWNZSD-LSDHHAIUSA-N 1 0 351.491 2.399 20 30 FEEDRO CC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000604016918 675802919 /nfs/dbraw/zinc/80/29/19/675802919.db2.gz IWUZOWXTCGKORC-GFCCVEGCSA-N 1 0 361.389 2.340 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)[C@@H](CC)N(C)C(=O)OC(C)(C)C)CC1 ZINC000828471515 675822334 /nfs/dbraw/zinc/82/23/34/675822334.db2.gz DJUZLMGBKGVPGR-MRXNPFEDSA-N 1 0 351.491 2.236 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)CN(C(=O)OC(C)(C)C)C(C)C)CC1 ZINC000828471171 675822366 /nfs/dbraw/zinc/82/23/66/675822366.db2.gz AECBEUILZRWARV-UHFFFAOYSA-N 1 0 351.491 2.236 20 30 FEEDRO C#CCN(CC(=O)N(C)[C@@H]1CC[N@@H+](CC)C[C@H]1C)C(=O)OC(C)(C)C ZINC000828596493 675832816 /nfs/dbraw/zinc/83/28/16/675832816.db2.gz WQLKABLZVGKJDO-HZPDHXFCSA-N 1 0 351.491 2.045 20 30 FEEDRO C[C@H](CCC#N)C[N@@H+]1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000618887179 676355736 /nfs/dbraw/zinc/35/57/36/676355736.db2.gz LFXRBWICFKIBKD-OAHLLOKOSA-N 1 0 353.463 2.462 20 30 FEEDRO N#C[C@@]1(F)CCN(C(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)C1 ZINC000619385344 676374614 /nfs/dbraw/zinc/37/46/14/676374614.db2.gz AJWXGXPEJNWUTN-PIMMBPRGSA-N 1 0 362.371 2.439 20 30 FEEDRO N#CCc1ccccc1S(=O)(=O)NC[C@H](c1ccco1)N1CCCC1 ZINC000619572000 676385360 /nfs/dbraw/zinc/38/53/60/676385360.db2.gz ITTVBHRGDZTTKN-MRXNPFEDSA-N 1 0 359.451 2.461 20 30 FEEDRO N#Cc1cc(S(=O)(=O)NC2CC[NH+](C3CC3)CC2)ccc1C(F)(F)F ZINC000619706730 676391316 /nfs/dbraw/zinc/39/13/16/676391316.db2.gz DGJFIPPMTHNNJV-UHFFFAOYSA-N 1 0 373.400 2.482 20 30 FEEDRO N#Cc1cc(S(=O)(=O)N[C@H]2CC[N@H+](CC3CC3)C2)ccc1C(F)(F)F ZINC000619709628 676391618 /nfs/dbraw/zinc/39/16/18/676391618.db2.gz SRADZIOYWJDDSD-ZDUSSCGKSA-N 1 0 373.400 2.340 20 30 FEEDRO N#Cc1ccc(C[NH2+]C2CCN(CCN3CCOCC3)CC2)cc1Cl ZINC000619755145 676393541 /nfs/dbraw/zinc/39/35/41/676393541.db2.gz ASHQTLJXWPTRQU-UHFFFAOYSA-N 1 0 362.905 2.098 20 30 FEEDRO C=CCOc1c(Cl)cc(CN2CC[N@H+](CCO)[C@H](C)C2)cc1OC ZINC000628242134 676795524 /nfs/dbraw/zinc/79/55/24/676795524.db2.gz SQHNVMDKTMQAII-CQSZACIVSA-N 1 0 354.878 2.412 20 30 FEEDRO CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)C#Cc1cccs1 ZINC000830069082 677023748 /nfs/dbraw/zinc/02/37/48/677023748.db2.gz IGZWCVQRZOEKMM-FQEVSTJZSA-N 1 0 354.475 2.195 20 30 FEEDRO O=C(C#CC1CC1)OCC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000838367874 680689238 /nfs/dbraw/zinc/68/92/38/680689238.db2.gz VFKHJFVMMRFNMY-UHFFFAOYSA-N 1 0 358.463 2.131 20 30 FEEDRO C=CCc1ccccc1OC[C@H](O)C[NH2+][C@@H]1CCN(CC(F)(F)F)C1 ZINC000644532476 677245303 /nfs/dbraw/zinc/24/53/03/677245303.db2.gz ULBGDZUQEPHPAR-HZPDHXFCSA-N 1 0 358.404 2.381 20 30 FEEDRO C=CCc1ccccc1OC[C@H](O)C[NH2+]CC1(S(C)(=O)=O)CCCC1 ZINC000644646722 677247280 /nfs/dbraw/zinc/24/72/80/677247280.db2.gz IZMBXSXUPRKEMD-QGZVFWFLSA-N 1 0 367.511 2.102 20 30 FEEDRO C=CCCCS(=O)(=O)N1CCO[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000651840928 677455838 /nfs/dbraw/zinc/45/58/38/677455838.db2.gz BEYKDVMIYWFHCP-OALUTQOASA-N 1 0 364.511 2.258 20 30 FEEDRO C=CCn1cc(C(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccc(C)s3)C2)nn1 ZINC000652032496 677468354 /nfs/dbraw/zinc/46/83/54/677468354.db2.gz ZFAGBMPEUBWGTE-HNNXBMFYSA-N 1 0 359.499 2.428 20 30 FEEDRO C=CC[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1c(C)nn(CC[NH+](C)C)c1C ZINC000657036668 677920239 /nfs/dbraw/zinc/92/02/39/677920239.db2.gz LJWRQQRYGCJESL-SJORKVTESA-N 1 0 368.547 2.475 20 30 FEEDRO C#CCC[NH+]1CCN(Cc2nc3sc4c(c3c(N)n2)CCCC4)CC1 ZINC000839527470 680759423 /nfs/dbraw/zinc/75/94/23/680759423.db2.gz JZUZADKAAFUVHA-UHFFFAOYSA-N 1 0 355.511 2.293 20 30 FEEDRO C#CCC[NH+]1CCN(Cc2cccc([N+](=O)[O-])c2Br)CC1 ZINC000839528659 680759561 /nfs/dbraw/zinc/75/95/61/680759561.db2.gz RADUWQHQNQLIHU-UHFFFAOYSA-N 1 0 352.232 2.498 20 30 FEEDRO C#C[C@H]([NH2+]CCC(=O)Nc1cc(OC)c(Cl)cc1OC)[C@H]1CCCO1 ZINC000839565637 680762173 /nfs/dbraw/zinc/76/21/73/680762173.db2.gz ZETAAGXYGSYWFT-DZGCQCFKSA-N 1 0 366.845 2.456 20 30 FEEDRO CC(C)[C@](C)(C#N)NC(=O)C[N@H+](C)CCCN(C)C(=O)OC(C)(C)C ZINC000839654932 680769187 /nfs/dbraw/zinc/76/91/87/680769187.db2.gz KSLCCHSVXIFSFA-SFHVURJKSA-N 1 0 354.495 2.230 20 30 FEEDRO C=CC[C@@H]1CCC[N@H+](CC(=O)N2CCN(C(=O)c3cccs3)CC2)C1 ZINC000661378727 678472593 /nfs/dbraw/zinc/47/25/93/678472593.db2.gz LFZQFNDUJOQISV-MRXNPFEDSA-N 1 0 361.511 2.321 20 30 FEEDRO C=CC[C@@]1(C(=O)Nc2ccc(NS(=O)(=O)CC)c(OC)c2)CCC[NH2+]1 ZINC000662519425 678633146 /nfs/dbraw/zinc/63/31/46/678633146.db2.gz QGRJIQNQNGCKMK-KRWDZBQOSA-N 1 0 367.471 2.094 20 30 FEEDRO CN(C(=O)C(=O)Nc1cccc(C#Cc2cccs2)c1)C1CC([NH3+])C1 ZINC000667667976 679121106 /nfs/dbraw/zinc/12/11/06/679121106.db2.gz KZJSLGFUDYKTEH-UHFFFAOYSA-N 1 0 353.447 2.035 20 30 FEEDRO O=C(NCC#Cc1cccc(C(F)(F)F)c1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000668996960 679213662 /nfs/dbraw/zinc/21/36/62/679213662.db2.gz ISVKIYIXXFIZKE-ZBFHGGJFSA-N 1 0 351.372 2.450 20 30 FEEDRO C=C(C)Cn1c([C@@H](C)OCCOC)nnc1N1CC[N@@H+](CC)[C@H](C)C1 ZINC000670230172 679276638 /nfs/dbraw/zinc/27/66/38/679276638.db2.gz LSTLNWWDRFHXOR-HZPDHXFCSA-N 1 0 351.495 2.109 20 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C=C(Cl)C(C)(C)C(=O)N1C[C@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@@]2(C)C1 ZINC000992956833 680138703 /nfs/dbraw/zinc/13/87/03/680138703.db2.gz NNOUPOYDLKZYPT-KHYOSLBOSA-N 1 0 367.921 2.024 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)N2Cc1nncs1 ZINC001021260348 680145273 /nfs/dbraw/zinc/14/52/73/680145273.db2.gz LVQCXEODLLNHNB-BMRXWSCTSA-N 1 0 362.499 2.131 20 30 FEEDRO CC(C)Oc1cc(Br)cc(C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)c1 ZINC000834479953 680232964 /nfs/dbraw/zinc/23/29/64/680232964.db2.gz JWASUHZSAGHQTM-SMDDNHRTSA-N 1 0 352.232 2.078 20 30 FEEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)c1ccc(Br)cc1Br ZINC000834484525 680233275 /nfs/dbraw/zinc/23/32/75/680233275.db2.gz KBLUAHQDIAPIJK-WRWORJQWSA-N 1 0 373.048 2.053 20 30 FEEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)COc1ccc2cc(Br)ccc2c1 ZINC000834490396 680234075 /nfs/dbraw/zinc/23/40/75/680234075.db2.gz UYHCLTODJNAFIP-BBRMVZONSA-N 1 0 374.238 2.209 20 30 FEEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)CCSc1ccccc1Br ZINC000834499366 680235418 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369.303 2.335 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](CCc2csc(C)n2)C1 ZINC001028549048 680374258 /nfs/dbraw/zinc/37/42/58/680374258.db2.gz KZOSKSNBIBDVJQ-NXHRZFHOSA-N 1 0 363.527 2.413 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](Cc2cccc(F)c2F)C1 ZINC001028810053 680383460 /nfs/dbraw/zinc/38/34/60/680383460.db2.gz VCHPKFWXZMMSDM-UNEWFSDZSA-N 1 0 350.409 2.494 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](C[N@@H+](C)Cc2cc(OC)ns2)C1 ZINC001029846182 680394017 /nfs/dbraw/zinc/39/40/17/680394017.db2.gz BBUYEQWKTPJJAR-BMFZPTHFSA-N 1 0 365.499 2.023 20 30 FEEDRO C=CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3C[C@H]3c3ccsc3)nn2)C1 ZINC000999998502 680416354 /nfs/dbraw/zinc/41/63/54/680416354.db2.gz TVABIJHHLSAVQY-IXDOHACOSA-N 1 0 357.483 2.192 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2c(C)nn(C)c2Cl)C1 ZINC001000237466 680424234 /nfs/dbraw/zinc/42/42/34/680424234.db2.gz SEYCOABERWGYNB-LZWOXQAQSA-N 1 0 366.893 2.054 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]Cc2ncc(Cl)n2C)C1 ZINC001000426163 680431861 /nfs/dbraw/zinc/43/18/61/680431861.db2.gz GYZKTZOQPUBRHU-ZQIUZPCESA-N 1 0 366.893 2.135 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]CCC2CCOCC2)C1 ZINC001000435897 680431880 /nfs/dbraw/zinc/43/18/80/680431880.db2.gz RAZRWIXUDRRSCS-QYZOEREBSA-N 1 0 350.503 2.365 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2nncs2)CC1 ZINC001034648874 680437123 /nfs/dbraw/zinc/43/71/23/680437123.db2.gz SAUQRKNRHMHASJ-TUVASFSCSA-N 1 0 350.488 2.036 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cnns2)CC1 ZINC001034753286 680439833 /nfs/dbraw/zinc/43/98/33/680439833.db2.gz DTIJVOZEKBYHEP-SDADXPQNSA-N 1 0 350.488 2.036 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1cc(OC)ns1 ZINC001035074542 680443047 /nfs/dbraw/zinc/44/30/47/680443047.db2.gz AERDVDUSUBMGSS-KMFMINBZSA-N 1 0 365.499 2.214 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2C[C@@H](CC)OC ZINC001039945363 680468058 /nfs/dbraw/zinc/46/80/58/680468058.db2.gz ZRYXZUCDYHAOSL-LFDJNIOPSA-N 1 0 350.503 2.458 20 30 FEEDRO CC[C@@H]1[C@@H](C(=O)NC2CCN(Cc3ccc(C#N)s3)CC2)CC[N@@H+]1C ZINC001002858756 680511816 /nfs/dbraw/zinc/51/18/16/680511816.db2.gz GCPRAJAPCIQALF-ZWKOTPCHSA-N 1 0 360.527 2.431 20 30 FEEDRO Cc1nsc(N2C[C@@H](C)[C@H](NC(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)c1C#N ZINC001042210780 680524033 /nfs/dbraw/zinc/52/40/33/680524033.db2.gz CLLRZVQPPHOVLG-WQVCFCJDSA-N 1 0 361.515 2.137 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CC[NH+](CCn2cc(Cl)cn2)CC1 ZINC001003789421 680542361 /nfs/dbraw/zinc/54/23/61/680542361.db2.gz VUOCOGOQZGBSCS-IRXDYDNUSA-N 1 0 366.893 2.098 20 30 FEEDRO C=C(Cl)C(C)(C)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)C2 ZINC001004366920 680555665 /nfs/dbraw/zinc/55/56/65/680555665.db2.gz LIOCTJUOOLLAJM-FPCVCCKLSA-N 1 0 367.921 2.355 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1CC[NH+](CCOC2CCC2)CC1 ZINC001005410160 680574470 /nfs/dbraw/zinc/57/44/70/680574470.db2.gz QKGZLAKUQNVPMU-MOPGFXCFSA-N 1 0 350.503 2.460 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1CC[NH+](CC[C@@H]2CCCO2)CC1 ZINC001005408540 680574566 /nfs/dbraw/zinc/57/45/66/680574566.db2.gz BOWMKGKAKDPWST-OTWHNJEPSA-N 1 0 350.503 2.460 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1CC[NH+](C[C@H]2CCCOC2)CC1 ZINC001006128536 680593962 /nfs/dbraw/zinc/59/39/62/680593962.db2.gz SHOQGJYKJRSNHK-NEWSRXKRSA-N 1 0 350.503 2.317 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CC2(CO1)CC[NH+](CCC)CC2 ZINC001045681410 680638170 /nfs/dbraw/zinc/63/81/70/680638170.db2.gz GZBBNKBKRXGVHR-BZSNNMDCSA-N 1 0 350.503 2.365 20 30 FEEDRO C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CC[C@@H](Nc3nc(C#N)c(Cl)s3)C2)C1 ZINC001047310628 680660062 /nfs/dbraw/zinc/66/00/62/680660062.db2.gz WDZQZZUFAKTMBB-QJPTWQEYSA-N 1 0 367.906 2.317 20 30 FEEDRO C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CC[C@@H](Nc3ncc(C#N)cc3Cl)C2)C1 ZINC001047310838 680660237 /nfs/dbraw/zinc/66/02/37/680660237.db2.gz XWAFZBMDOMAVSK-AEGPPILISA-N 1 0 361.877 2.255 20 30 FEEDRO C#CCOc1cc(F)ccc1NC(=O)N1C[C@H](SC)[C@@H]([NH+](C)C)C1 ZINC000759987161 680673802 /nfs/dbraw/zinc/67/38/02/680673802.db2.gz ULIJKJGKYXJOGV-HOCLYGCPSA-N 1 0 351.447 2.347 20 30 FEEDRO C=CCOC(=O)c1sc(NC(=O)N[C@H](C)C[NH3+])c(C(=O)OCC)c1C ZINC000841159199 680866714 /nfs/dbraw/zinc/86/67/14/680866714.db2.gz XYMHSTSFWGHPAQ-SECBINFHSA-N 1 0 369.443 2.045 20 30 FEEDRO C=CCOC(=O)c1sc(NC(=O)N[C@@H](C)C[NH3+])c(C(=O)OCC)c1C ZINC000841159200 680866729 /nfs/dbraw/zinc/86/67/29/680866729.db2.gz XYMHSTSFWGHPAQ-VIFPVBQESA-N 1 0 369.443 2.045 20 30 FEEDRO Cc1c(Br)c(Cl)ncc1NC(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000841192262 680868397 /nfs/dbraw/zinc/86/83/97/680868397.db2.gz QCPIAMKPFDQYPL-VXNVDRBHSA-N 1 0 358.627 2.039 20 30 FEEDRO CCOc1ccc(NC(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)cc1Br ZINC000841200433 680868710 /nfs/dbraw/zinc/86/87/10/680868710.db2.gz BAZUIUXLRSXWSB-BXKDBHETSA-N 1 0 353.220 2.081 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)CC2(CNC(=O)OC(C)(C)C)CC2)CC1 ZINC000841390138 680876753 /nfs/dbraw/zinc/87/67/53/680876753.db2.gz GAACOFNGZIJPGM-UHFFFAOYSA-N 1 0 351.491 2.448 20 30 FEEDRO Cc1nc(CCNC(NCCCN2CCOCC2)=[NH+]C(C)(C)C)cs1 ZINC000912498834 685386707 /nfs/dbraw/zinc/38/67/07/685386707.db2.gz JPSDDVFYGCTYSW-UHFFFAOYSA-N 1 0 367.563 2.050 20 30 FEEDRO C#C[C@H](NC(=O)NCC[C@H]1CC[NH2+]C1)c1ccc(Br)cc1 ZINC000841938138 680918007 /nfs/dbraw/zinc/91/80/07/680918007.db2.gz IGUXUINSUFHAKM-DOMZBBRYSA-N 1 0 350.260 2.422 20 30 FEEDRO C#C[C@H](NC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C)c1ccc(Br)cc1 ZINC000841978848 680919958 /nfs/dbraw/zinc/91/99/58/680919958.db2.gz ZYDULHMLFUAPNX-TUKIKUTGSA-N 1 0 350.260 2.421 20 30 FEEDRO Cn1cc(Br)c(CON=C(N)c2ccc(C[NH+](C)C)cc2)n1 ZINC000842037340 680923002 /nfs/dbraw/zinc/92/30/02/680923002.db2.gz YBUVZQKLNLJYAC-UHFFFAOYSA-N 1 0 366.263 2.081 20 30 FEEDRO C=CCS(=O)(=O)CC[NH2+][C@@H](C)C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000769551427 680986834 /nfs/dbraw/zinc/98/68/34/680986834.db2.gz JTFASSOEMQSCGQ-LSDHHAIUSA-N 1 0 360.520 2.355 20 30 FEEDRO C[C@H](C[C@@H](O)c1ccccc1)[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000843087197 680986846 /nfs/dbraw/zinc/98/68/46/680986846.db2.gz JINZKEKBTZAURH-DNVCBOLYSA-N 1 0 358.463 2.434 20 30 FEEDRO C=CCN1C(=S)N=NC1c1sc(NC(=O)[C@]2(C)CCC[NH2+]2)nc1C ZINC000843372040 681000443 /nfs/dbraw/zinc/00/04/43/681000443.db2.gz FLTKHNHEKDGINN-HNNXBMFYSA-N 1 0 364.500 2.265 20 30 FEEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)C1(c2ccc(Br)cc2)CCCC1 ZINC000843462322 681005048 /nfs/dbraw/zinc/00/50/48/681005048.db2.gz PMKOLMHXNNBTHB-DOMZBBRYSA-N 1 0 362.271 2.489 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]2C[N@@H+](Cc3cnc(C)s3)C[C@H]21 ZINC001050144178 681042330 /nfs/dbraw/zinc/04/23/30/681042330.db2.gz LUUXKIPYXIEMKE-HPBDAGMYSA-N 1 0 361.511 2.465 20 30 FEEDRO C[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)CCN1c1nc(C#N)c(Cl)s1 ZINC001050454698 681048390 /nfs/dbraw/zinc/04/83/90/681048390.db2.gz NZHCTYFLARBBMK-WOPDTQHZSA-N 1 0 367.906 2.093 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCO[C@H](C[NH2+]Cc2ccsc2)C1 ZINC001051616179 681067980 /nfs/dbraw/zinc/06/79/80/681067980.db2.gz ARRVIXOXQCYQDZ-ZACQAIPSSA-N 1 0 350.484 2.046 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)OC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000772115423 681086475 /nfs/dbraw/zinc/08/64/75/681086475.db2.gz GQWAFUWABNGUIG-OAHLLOKOSA-N 1 0 350.459 2.132 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N2CCCc3nc(Br)ccc32)CC1 ZINC000844851543 681088018 /nfs/dbraw/zinc/08/80/18/681088018.db2.gz ZHFNCTZRAMGYPV-UHFFFAOYSA-N 1 0 362.271 2.469 20 30 FEEDRO Cc1nsc(N2[C@@H]3CC[C@H]2[C@H](NC(=O)C[N@H+]2CCC[C@H]2C)C3)c1C#N ZINC001055448620 681136109 /nfs/dbraw/zinc/13/61/09/681136109.db2.gz AIPAFZGFKJRPSI-CUBALJKWSA-N 1 0 359.499 2.033 20 30 FEEDRO C#CCOc1ccc(Br)cc1C[NH2+]C[C@H]1CC(=O)N(CC)C1 ZINC000846092550 681181791 /nfs/dbraw/zinc/18/17/91/681181791.db2.gz FQMNPWNNEFKTKS-CYBMUJFWSA-N 1 0 365.271 2.419 20 30 FEEDRO C[NH+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC1(C#N)CCCC1 ZINC000846347433 681228954 /nfs/dbraw/zinc/22/89/54/681228954.db2.gz MLVPBJBQJHFSBZ-CQSZACIVSA-N 1 0 352.479 2.032 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)Nc2ccc(SC)c(C(=O)OC)c2)CC1 ZINC000932584438 681267742 /nfs/dbraw/zinc/26/77/42/681267742.db2.gz VFZDSNHVEPTUAV-UHFFFAOYSA-N 1 0 361.467 2.414 20 30 FEEDRO C#CCC[NH+]1CCN(C[C@H](O)c2ccc(F)c(Br)c2)CC1 ZINC000775642825 681320967 /nfs/dbraw/zinc/32/09/67/681320967.db2.gz PCZZUIVKGBDFAF-INIZCTEOSA-N 1 0 355.251 2.263 20 30 FEEDRO CNC(=O)CC[N@@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932943213 681331836 /nfs/dbraw/zinc/33/18/36/681331836.db2.gz JGXDOTBNIXEDCZ-KNVOCYPGSA-N 1 0 354.241 2.225 20 30 FEEDRO C#C[C@H]([NH2+][C@H](C)C(=O)N(C)CCOc1ccc(Cl)cc1)[C@@H]1CCCO1 ZINC000775797814 681336147 /nfs/dbraw/zinc/33/61/47/681336147.db2.gz DVIFDWYZFAMLKM-JLSDUUJJSA-N 1 0 364.873 2.336 20 30 FEEDRO C#CC[N@@H+](C)CCCNC(=O)N(C)Cc1ccc2c(c1)OC(F)(F)O2 ZINC000847378030 681370809 /nfs/dbraw/zinc/37/08/09/681370809.db2.gz ISNLITMYDATMCT-UHFFFAOYSA-N 1 0 353.369 2.105 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)OCc2ccc(OCC(F)(F)F)nc2)CC1 ZINC000776400824 681388937 /nfs/dbraw/zinc/38/89/37/681388937.db2.gz AMYDOOUQXFMYBO-UHFFFAOYSA-N 1 0 356.344 2.411 20 30 FEEDRO C#CCC1([NH2+]CC(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)CCC1 ZINC000933300326 681390205 /nfs/dbraw/zinc/39/02/05/681390205.db2.gz YHMKJVOHGOYGAS-UHFFFAOYSA-N 1 0 354.859 2.218 20 30 FEEDRO C#CCC[NH+]1CCN(C[C@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000776593195 681412519 /nfs/dbraw/zinc/41/25/19/681412519.db2.gz SLEWRINYMWTEQC-AWEZNQCLSA-N 1 0 357.281 2.374 20 30 FEEDRO C[C@@](CO)(Cc1ccc(Cl)cc1)[NH2+]C[C@H](O)CC1(C#N)CCOCC1 ZINC000933444928 681413709 /nfs/dbraw/zinc/41/37/09/681413709.db2.gz PHRCYIMJQQQJRW-MSOLQXFVSA-N 1 0 366.889 2.294 20 30 FEEDRO C=CC1(CC(=O)N(C)[C@H]2CCC[N@H+](C)C2)CN(C(=O)OC(C)(C)C)C1 ZINC000933485825 681419714 /nfs/dbraw/zinc/41/97/14/681419714.db2.gz HWCPBIRBMJAMGY-HNNXBMFYSA-N 1 0 351.491 2.352 20 30 FEEDRO C=CCNS(=O)(=O)c1ccc(C(=O)OC[C@H](C)[NH+]2CCCCC2)cc1 ZINC000847958357 681455744 /nfs/dbraw/zinc/45/57/44/681455744.db2.gz IDSHUBLZPGPBNK-HNNXBMFYSA-N 1 0 366.483 2.182 20 30 FEEDRO CN(CCC#N)C(=O)CC[N@@H+]1CC[C@@H](c2nccc(C(F)(F)F)n2)C1 ZINC000933715095 681456362 /nfs/dbraw/zinc/45/63/62/681456362.db2.gz YNBDTNBWNRXCLR-GFCCVEGCSA-N 1 0 355.364 2.047 20 30 FEEDRO CC(C)(C)[NH2+]CCNC(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000848371255 681531651 /nfs/dbraw/zinc/53/16/51/681531651.db2.gz KDVPTFYKOYNCJD-UHFFFAOYSA-N 1 0 351.491 2.141 20 30 FEEDRO N#C[C@@H](c1cccs1)N1CCN(C(=O)C[N@@H+]2CC[C@@H]3CCC[C@@H]32)CC1 ZINC000934336651 681554012 /nfs/dbraw/zinc/55/40/12/681554012.db2.gz FXZBJXRFDSMFJC-ULQDDVLXSA-N 1 0 358.511 2.331 20 30 FEEDRO N#Cc1ccc(CN2CC[NH+](CCCCO)CC2)c(Br)c1 ZINC000778222044 681586797 /nfs/dbraw/zinc/58/67/97/681586797.db2.gz TXMGXMMSTSYACD-UHFFFAOYSA-N 1 0 352.276 2.211 20 30 FEEDRO N#Cc1ccc(C(=O)OCC(=O)NC2CC[NH+](C3CC3)CC2)cc1Cl ZINC000778539149 681621972 /nfs/dbraw/zinc/62/19/72/681621972.db2.gz UTIZYANHFYRIMT-UHFFFAOYSA-N 1 0 361.829 2.111 20 30 FEEDRO C=C(Cl)C(C)(C)C(=O)N1C[C@@H](C)[C@H](NC(=O)[C@@]23CC[N@H+](C2)CCC3)C1 ZINC000949361908 681634642 /nfs/dbraw/zinc/63/46/42/681634642.db2.gz LIWZPHBVEZWKNR-MUKKUYKPSA-N 1 0 367.921 2.214 20 30 FEEDRO C[NH+]=C(NCc1ccco1)NC[C@H](O)c1cccc(Br)c1 ZINC000849106801 681654260 /nfs/dbraw/zinc/65/42/60/681654260.db2.gz LCRZOQUDVHKIRS-AWEZNQCLSA-N 1 0 352.232 2.441 20 30 FEEDRO C#CCOc1ccc(F)cc1NC(=O)N1C[C@@H](SC)[C@H]([NH+](C)C)C1 ZINC000779355096 681708335 /nfs/dbraw/zinc/70/83/35/681708335.db2.gz ZGPWYSZSBNOFDR-GDBMZVCRSA-N 1 0 351.447 2.347 20 30 FEEDRO N#Cc1c(F)cccc1S(=O)(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000849460306 681746653 /nfs/dbraw/zinc/74/66/53/681746653.db2.gz AINGORDHSJUJRZ-CYBMUJFWSA-N 1 0 351.447 2.383 20 30 FEEDRO CC(C)NS(=O)(=O)c1ccc(N=NC(C)CCCC[NH+](C)C)nc1 ZINC000781124181 681903337 /nfs/dbraw/zinc/90/33/37/681903337.db2.gz YKJIOJVAKSCDRD-UHFFFAOYSA-N 1 0 355.508 2.288 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC2(CC1)CC[NH+](C[C@@H](C)O)CC2 ZINC000957618842 681910435 /nfs/dbraw/zinc/91/04/35/681910435.db2.gz JSLYSNHDCYQVHM-SQNIBIBYSA-N 1 0 350.503 2.053 20 30 FEEDRO C[C@H]([NH2+]CCS(=O)(=O)CC(F)(F)F)c1ccc(OCC#N)cc1 ZINC000850519827 681912008 /nfs/dbraw/zinc/91/20/08/681912008.db2.gz PGHYZCRPWDOGDO-NSHDSACASA-N 1 0 350.362 2.217 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCc3scnc3C)C[C@H]21 ZINC000959947166 682012754 /nfs/dbraw/zinc/01/27/54/682012754.db2.gz PLOPVGUXGUYHBO-LFRCEIEQSA-N 1 0 361.511 2.022 20 30 FEEDRO C=C(Cl)C(C)(C)C(=O)N1C[C@@H](C)[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC000940311239 682048939 /nfs/dbraw/zinc/04/89/39/682048939.db2.gz NTFQGVBMXBLXCV-UKRRQHHQSA-N 1 0 369.937 2.460 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CCc3ccns3)C[C@H]21 ZINC000961993710 682105523 /nfs/dbraw/zinc/10/55/23/682105523.db2.gz HIYXOJJVIKKSMR-AVEIZBFRSA-N 1 0 361.511 2.103 20 30 FEEDRO CC(C)(C)OC(=O)CCN[NH+]=Cc1ccc(N2CCOCC2)c(F)c1 ZINC000783865722 682182639 /nfs/dbraw/zinc/18/26/39/682182639.db2.gz GOSZLUYWSFVCQF-UHFFFAOYSA-N 1 0 351.422 2.318 20 30 FEEDRO C=C(C)CN(CCn1cnc(Br)n1)Cc1ccc(CO)o1 ZINC000852039860 682207555 /nfs/dbraw/zinc/20/75/55/682207555.db2.gz HRXDGIFKQXHRHL-UHFFFAOYSA-N 1 0 355.236 2.204 20 30 FEEDRO C#C[C@](C)(CC)[NH2+][C@@H](C)C(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1 ZINC000852100396 682219964 /nfs/dbraw/zinc/21/99/64/682219964.db2.gz HHZGEEFZFIZCEY-KBXCAEBGSA-N 1 0 365.499 2.092 20 30 FEEDRO C=CCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F ZINC000968916431 682250469 /nfs/dbraw/zinc/25/04/69/682250469.db2.gz CHKZCFRQANQIAG-ZNMIVQPWSA-N 1 0 364.408 2.270 20 30 FEEDRO N#Cc1cc(CS(=O)(=O)NC[C@H]2CC[N@@H+]2C2CCCCC2)cs1 ZINC000917980530 685536147 /nfs/dbraw/zinc/53/61/47/685536147.db2.gz SCAHDHHUQFOPTJ-OAHLLOKOSA-N 1 0 353.513 2.446 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2cc(O)ccc2Cl)C1 ZINC000970016563 682284031 /nfs/dbraw/zinc/28/40/31/682284031.db2.gz BXFXLLIIUKGORA-UNEWFSDZSA-N 1 0 350.846 2.327 20 30 FEEDRO CN1CC[C@@H](NC(=O)C#CC2CC[NH2+]CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000852885884 682353407 /nfs/dbraw/zinc/35/34/07/682353407.db2.gz DNPJFJDQYDVEBI-IEBWSBKVSA-N 1 0 363.864 2.344 20 30 FEEDRO C[N@H+](Cc1ccc(C#N)s1)[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C1 ZINC000971718395 682369537 /nfs/dbraw/zinc/36/95/37/682369537.db2.gz DRNSAURSIRIOSL-APHBMKBZSA-N 1 0 355.467 2.179 20 30 FEEDRO C=C(Cl)C(C)(C)C(=O)N1C[C@H]2CCN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]21 ZINC000972339381 682407277 /nfs/dbraw/zinc/40/72/77/682407277.db2.gz DOIYYGQBYCRNGE-RBSFLKMASA-N 1 0 355.910 2.165 20 30 FEEDRO C#CCN(CC(=O)OC(C)(C)C)C(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000853347163 682407395 /nfs/dbraw/zinc/40/73/95/682407395.db2.gz FWZZRKASDOYUSR-CVEARBPZSA-N 1 0 351.491 2.093 20 30 FEEDRO C#CCN(CC(=O)OC(C)(C)C)C(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000853346862 682407524 /nfs/dbraw/zinc/40/75/24/682407524.db2.gz APMLKJZGDFUMLY-HNNXBMFYSA-N 1 0 365.499 2.337 20 30 FEEDRO C#CCN(CC(=O)OC(C)(C)C)C(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000853535566 682430033 /nfs/dbraw/zinc/43/00/33/682430033.db2.gz ZWLFHBDLKDSLFX-INIZCTEOSA-N 1 0 351.491 2.093 20 30 FEEDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C ZINC000854650257 682575022 /nfs/dbraw/zinc/57/50/22/682575022.db2.gz AWEWTWDNXLDXAY-ILXRZTDVSA-N 1 0 352.479 2.125 20 30 FEEDRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)S(=O)(=O)CC(C)(C)C#N ZINC000790043006 682650833 /nfs/dbraw/zinc/65/08/33/682650833.db2.gz MFJOUCVDWODIAV-UHFFFAOYSA-N 1 0 364.515 2.499 20 30 FEEDRO CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)N2CCN(c3ccsc3C#N)CC2)C1 ZINC000855336233 682658844 /nfs/dbraw/zinc/65/88/44/682658844.db2.gz LDAPIBOBCUCIKE-GOSISDBHSA-N 1 0 364.490 2.481 20 30 FEEDRO O=C(C#Cc1ccc(C(F)(F)F)cc1)NCCCC[NH+]1CCOCC1 ZINC000790316506 682667405 /nfs/dbraw/zinc/66/74/05/682667405.db2.gz MJFTWXYSLZTTKF-UHFFFAOYSA-N 1 0 354.372 2.286 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N[C@H](CO)c2cccc(Cl)c2Cl)CC1 ZINC000856177379 682750467 /nfs/dbraw/zinc/75/04/67/682750467.db2.gz NPUJLNRHINEVPT-OAHLLOKOSA-N 1 0 355.265 2.488 20 30 FEEDRO C=C(C)CS(=O)(=O)N1CC[C@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1 ZINC000856549796 682792801 /nfs/dbraw/zinc/79/28/01/682792801.db2.gz UZLRTVSFGHTWDV-SFHVURJKSA-N 1 0 367.515 2.281 20 30 FEEDRO C#CCCOc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NS(C)(=O)=O)cc1 ZINC000858252923 682949719 /nfs/dbraw/zinc/94/97/19/682949719.db2.gz XFUBPEHKRIVJEO-QZTJIDSGSA-N 1 0 350.484 2.039 20 30 FEEDRO CC1([NH+]2CCOCC2)CCN(c2cc(Br)cnc2C#N)CC1 ZINC000858763283 682999878 /nfs/dbraw/zinc/99/98/78/682999878.db2.gz KBPZORBBAUZJSG-UHFFFAOYSA-N 1 0 365.275 2.407 20 30 FEEDRO O=C1c2ccccc2C(=O)N1CC#CC[NH2+][C@@H](CCO)c1cccs1 ZINC000859248673 683064333 /nfs/dbraw/zinc/06/43/33/683064333.db2.gz XFVAAKOPJALCFI-INIZCTEOSA-N 1 0 354.431 2.061 20 30 FEEDRO C=CCS(=O)(=O)CC[NH2+]C1CC2(C1)CCN(C(=O)OC(C)(C)C)CC2 ZINC000926126722 683079822 /nfs/dbraw/zinc/07/98/22/683079822.db2.gz MCCHIGOPAMVNLH-UHFFFAOYSA-N 1 0 372.531 2.357 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)CCCc2nc(-c3cccs3)no2)CC1 ZINC000928656680 683482607 /nfs/dbraw/zinc/48/26/07/683482607.db2.gz DWYXFBRFRNDBPW-UHFFFAOYSA-N 1 0 358.467 2.335 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)c2ccccc2S[C@@H](C)C(=O)OC)CC1 ZINC000928657541 683483089 /nfs/dbraw/zinc/48/30/89/683483089.db2.gz NBAPINOBWMUOBD-AWEZNQCLSA-N 1 0 360.479 2.168 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)Cc2ccc(F)c(Br)c2)CC1 ZINC000928657418 683483093 /nfs/dbraw/zinc/48/30/93/683483093.db2.gz HZAYGYRGXRHTAJ-UHFFFAOYSA-N 1 0 353.235 2.345 20 30 FEEDRO N#CC[C@@H](NC(=O)CC[NH+]1CCN(c2ccccc2)CC1)C(F)(F)F ZINC000928805435 683506529 /nfs/dbraw/zinc/50/65/29/683506529.db2.gz GCQQIGPDMHLHNK-OAHLLOKOSA-N 1 0 354.376 2.159 20 30 FEEDRO C[NH+]1CCN(Cc2cccc(C(=O)N[C@@H](CC#N)C(F)(F)F)c2)CC1 ZINC000928807782 683507007 /nfs/dbraw/zinc/50/70/07/683507007.db2.gz BGQFHYQLEJNBOK-HNNXBMFYSA-N 1 0 354.376 2.008 20 30 FEEDRO CC1([NH+]2CCC2)CCC(NS(=O)(=O)c2ccc(C#N)c(F)c2)CC1 ZINC000921718623 683556112 /nfs/dbraw/zinc/55/61/12/683556112.db2.gz JRXLJIDKYMSNQF-UHFFFAOYSA-N 1 0 351.447 2.383 20 30 FEEDRO 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/nfs/dbraw/zinc/66/99/24/689669924.db2.gz NLXNLGUSLVZSGW-ZWNOBZJWSA-N 1 0 370.247 2.136 20 30 FEEDRO C#CC[C@H](CO)[NH2+]C1CCC(NC(=O)COc2ccc(Cl)cc2)CC1 ZINC000895490287 689725934 /nfs/dbraw/zinc/72/59/34/689725934.db2.gz NMVQUNRYEMTNTD-OFLPRAFFSA-N 1 0 364.873 2.120 20 30 FEEDRO C#CCC1(O)CC[NH+](C[C@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)CC1 ZINC000895669406 689752200 /nfs/dbraw/zinc/75/22/00/689752200.db2.gz BXWLOCYCBAKNKW-CQSZACIVSA-N 1 0 358.429 2.481 20 30 FEEDRO Cc1nn(C)c2nc(Cl)c(C[NH2+]CCNc3ccc(C#N)cn3)cc12 ZINC000897398504 690016632 /nfs/dbraw/zinc/01/66/32/690016632.db2.gz GSTQVVHQMUIGRC-UHFFFAOYSA-N 1 0 355.833 2.399 20 30 FEEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+][C@H]1CCN(c2cn[nH]c(=O)c2Cl)C1 ZINC000898369306 690168674 /nfs/dbraw/zinc/16/86/74/690168674.db2.gz VETFYZOUVDYKKT-STQMWFEESA-N 1 0 365.865 2.103 20 30 FEEDRO Cc1c(I)cn(C[C@H]2CCCC[NH2+]C2)c(=O)c1C#N ZINC000899629404 690393404 /nfs/dbraw/zinc/39/34/04/690393404.db2.gz DYDBALCXCOSGIO-NSHDSACASA-N 1 0 371.222 2.023 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)N1CSC[C@@H]1C(=O)Nc1ccc(OC)cc1 ZINC000900534243 690529493 /nfs/dbraw/zinc/52/94/93/690529493.db2.gz LHKBUEFUNHHMKE-MRXNPFEDSA-N 1 0 363.483 2.043 20 30 FEEDRO CC(C)[NH+]1CCC(O)(CNC(=O)C(F)(F)c2ccccc2C#N)CC1 ZINC000901058065 690606522 /nfs/dbraw/zinc/60/65/22/690606522.db2.gz VLIRJAIYDDECGL-UHFFFAOYSA-N 1 0 351.397 2.002 20 30 FEEDRO C=CCC[C@H]([NH2+]C1CCN(CCS(C)(=O)=O)CC1)[C@@]1(C)CCCCO1 ZINC000902795769 690808504 /nfs/dbraw/zinc/80/85/04/690808504.db2.gz GPOWTRVRGDOCJP-RBUKOAKNSA-N 1 0 372.575 2.379 20 30 FEEDRO C[C@H]([NH3+])[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)c(C#N)c2)C1 ZINC000903487244 690899104 /nfs/dbraw/zinc/89/91/04/690899104.db2.gz UQLRNAUFRLCZBK-WDEREUQCSA-N 1 0 372.288 2.069 20 30 FEEDRO CN([C@@H](C[NH3+])C(F)(F)F)S(=O)(=O)c1c(C#N)sc2ccccc21 ZINC000903509968 690905129 /nfs/dbraw/zinc/90/51/29/690905129.db2.gz PXIZQYJUAAAIHJ-NSHDSACASA-N 1 0 363.386 2.283 20 30 FEEDRO C[NH+](C)CCN(C1CC1)S(=O)(=O)c1ccc(Br)c(C#N)c1 ZINC000903639186 690947015 /nfs/dbraw/zinc/94/70/15/690947015.db2.gz YZAPPDCLNVJLCF-UHFFFAOYSA-N 1 0 372.288 2.035 20 30 FEEDRO CC#CCC[NH2+]C[C@H](O)c1ccc2c(c1)CN(C(=O)C(F)(F)F)CC2 ZINC000905204427 691079910 /nfs/dbraw/zinc/07/99/10/691079910.db2.gz VHILFJILAXVVBE-INIZCTEOSA-N 1 0 354.372 2.170 20 30 FEEDRO CC#CCC[NH2+]C[C@@H](O)c1ccc2c(c1)CN(C(=O)C(F)(F)F)CC2 ZINC000905204430 691080263 /nfs/dbraw/zinc/08/02/63/691080263.db2.gz VHILFJILAXVVBE-MRXNPFEDSA-N 1 0 354.372 2.170 20 30 FEEDRO CSC1CCC(C[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)CC1 ZINC000905507367 691127783 /nfs/dbraw/zinc/12/77/83/691127783.db2.gz CXIGSTDJVBLVTF-UHFFFAOYSA-N 1 0 353.513 2.238 20 30 FEEDRO C[N@H+](Cc1cn([C@@H]2CCN(c3sccc3C#N)C2=O)nn1)C(C)(C)C ZINC000905786761 691174414 /nfs/dbraw/zinc/17/44/14/691174414.db2.gz GIWSPXYEXDQMSU-CQSZACIVSA-N 1 0 358.471 2.420 20 30 FEEDRO CN1CC[N@H+](C)CC(C(=O)N[C@H](C#N)c2c(Cl)cccc2Cl)C1 ZINC000906602587 691290546 /nfs/dbraw/zinc/29/05/46/691290546.db2.gz DCPZSGUDUABTKI-CQSZACIVSA-N 1 0 355.269 2.168 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)NCc2ccc(C[NH+]3CCCC3)cc2)nc1 ZINC000906814775 691320708 /nfs/dbraw/zinc/32/07/08/691320708.db2.gz ONYOSPRURHQFQN-UHFFFAOYSA-N 1 0 356.451 2.028 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)N(CCO)Cc1ccc(Br)s1 ZINC000907717700 691545448 /nfs/dbraw/zinc/54/54/48/691545448.db2.gz OBSAMGHZKZIAAX-UHFFFAOYSA-N 1 0 361.305 2.339 20 30 FEEDRO CNC(=O)C[N@@H+]1CCCC12CCN(c1cc(C#N)c3ccccc3n1)CC2 ZINC001164689400 719739915 /nfs/dbraw/zinc/73/99/15/719739915.db2.gz FJJPCBQZROBHPH-UHFFFAOYSA-N 1 0 363.465 2.287 20 30 FEEDRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(C#N)ccc1[N+](=O)[O-])C2 ZINC001164813781 720114135 /nfs/dbraw/zinc/11/41/35/720114135.db2.gz QNERGRFHZBKGRW-BEFAXECRSA-N 1 0 371.441 2.046 20 30 FEEDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncc3c(C#N)c[nH]c3n1)C2 ZINC001164817384 720149116 /nfs/dbraw/zinc/14/91/16/720149116.db2.gz PEENNPUCOXIHLD-JXFKEZNVSA-N 1 0 366.469 2.014 20 30 FEEDRO Cc1cc(N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)ncc1C#N ZINC001164813536 720218385 /nfs/dbraw/zinc/21/83/85/720218385.db2.gz NVUWOMSDXKLYNH-UHFFFAOYSA-N 1 0 366.469 2.069 20 30 FEEDRO COc1cc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)ncc1C#N ZINC001164897303 721510358 /nfs/dbraw/zinc/51/03/58/721510358.db2.gz FRHFPGRRXUPYGE-AEFFLSMTSA-N 1 0 368.412 2.443 20 30 FEEDRO Cc1ncc(C#N)c(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164911911 721526339 /nfs/dbraw/zinc/52/63/39/721526339.db2.gz XLWPCMKRCQUQPU-AEFFLSMTSA-N 1 0 353.401 2.138 20 30 FEEDRO COc1ccnc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c1C#N ZINC001164902679 721526691 /nfs/dbraw/zinc/52/66/91/721526691.db2.gz AYTRJPIUEHYCPQ-WBVHZDCISA-N 1 0 368.412 2.443 20 30 FEEDRO COc1cc(C#N)nc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c1 ZINC001164906321 721537770 /nfs/dbraw/zinc/53/77/70/721537770.db2.gz JSBLUBUGUMJVBG-APWZRJJASA-N 1 0 368.412 2.443 20 30 FEEDRO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2C(F)(F)c1cc(Cl)nc(C#N)c1 ZINC001164928888 721862312 /nfs/dbraw/zinc/86/23/12/721862312.db2.gz OVOFAXOMCIZCIA-CABCVRRESA-N 1 0 369.847 2.366 20 30 FEEDRO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2C(F)(F)c1cc(C#N)cc(Cl)n1 ZINC001164923658 721865736 /nfs/dbraw/zinc/86/57/36/721865736.db2.gz JULWBQULIBJHIB-KBPBESRZSA-N 1 0 369.847 2.366 20 30 FEEDRO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2c1nc(Cl)cc(Cl)c1C#N ZINC001164932886 721887366 /nfs/dbraw/zinc/88/73/66/721887366.db2.gz KEIMEBYVBHIQJO-ZIAGYGMSSA-N 1 0 354.285 2.475 20 30 FEEDRO N#Cc1cnc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c(F)c1 ZINC001164978924 722132238 /nfs/dbraw/zinc/13/22/38/722132238.db2.gz LAWOJQJAGMRFRW-MJGOQNOKSA-N 1 0 367.428 2.215 20 30 FEEDRO N#Cc1cnc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c(F)c1 ZINC001164978923 722132364 /nfs/dbraw/zinc/13/23/64/722132364.db2.gz LAWOJQJAGMRFRW-IEBWSBKVSA-N 1 0 367.428 2.215 20 30 FEEDRO Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000516053502 816605940 /nfs/dbraw/zinc/60/59/40/816605940.db2.gz AYXOUYRRTXHBOD-JKSUJKDBSA-N 1 0 365.441 2.005 20 30 FEEDRO N#Cc1ccc(-n2ccc(NC(=O)N3C[C@@H]4CC[C@H]([NH3+])[C@@H]4C3)n2)c(F)c1 ZINC000517713908 817553477 /nfs/dbraw/zinc/55/34/77/817553477.db2.gz DZYSDPRIYLMZOW-GUTXKFCHSA-N 1 0 354.389 2.084 20 30 FEEDRO N#Cc1ccc(NCC(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)nc1 ZINC000497870439 887706662 /nfs/dbraw/zinc/70/66/62/887706662.db2.gz WPRQEEUSOWKSHA-MRXNPFEDSA-N 1 0 369.494 2.455 20 30 FEEDRO CC(C)[C@H](CNC(=O)C(=O)Nc1cccc(C#N)c1)[NH+]1CCC(C)CC1 ZINC000041593425 540026116 /nfs/dbraw/zinc/02/61/16/540026116.db2.gz JTRWRCCVDCDLJE-SFHVURJKSA-N 1 0 356.470 2.369 20 30 FEEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)NCCc3ccccn3)CC2)cc1 ZINC000042993092 540085292 /nfs/dbraw/zinc/08/52/92/540085292.db2.gz KHNGDJNXPQAQLL-UHFFFAOYSA-N 1 0 363.465 2.413 20 30 FEEDRO N#Cc1ccc(CN2CCN(C(=O)N[C@H]3CC[N@@H+]4CCCC[C@H]34)CC2)cc1 ZINC000047106078 540290709 /nfs/dbraw/zinc/29/07/09/540290709.db2.gz LXLTXSIMAPPNRE-VQTJNVASSA-N 1 0 367.497 2.012 20 30 FEEDRO C[NH+](C)CCNC(=O)c1ccc(NC(=O)c2cccc(CC#N)c2)cc1 ZINC000049698515 540391591 /nfs/dbraw/zinc/39/15/91/540391591.db2.gz RWYDLPCUMSJWRA-UHFFFAOYSA-N 1 0 350.422 2.296 20 30 FEEDRO CCCCNC(=O)[C@H]1CCC[N@@H+]([C@@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000051060165 540421102 /nfs/dbraw/zinc/42/11/02/540421102.db2.gz FFABCAPEPAOCIT-IRXDYDNUSA-N 1 0 362.518 2.346 20 30 FEEDRO CCC[N@@H+]1CC[C@H](CNC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)C1 ZINC000054510218 540593778 /nfs/dbraw/zinc/59/37/78/540593778.db2.gz BYXNEQRZHPNKDO-HXUWFJFHSA-N 1 0 369.513 2.117 20 30 FEEDRO C[C@H](CNC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000062121472 541145186 /nfs/dbraw/zinc/14/51/86/541145186.db2.gz HRRRLWPMNGNYJJ-CHWSQXEVSA-N 1 0 362.861 2.387 20 30 FEEDRO CN(C(=O)COc1ccc(C#N)cc1)C1CC[NH+](C2CCOCC2)CC1 ZINC000065039554 541223992 /nfs/dbraw/zinc/22/39/92/541223992.db2.gz LNYWOLIPKAYQAT-UHFFFAOYSA-N 1 0 357.454 2.039 20 30 FEEDRO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@H](C(=O)NCCC)C1 ZINC000065353385 541234631 /nfs/dbraw/zinc/23/46/31/541234631.db2.gz GQHQAGSQOYVVLX-RBUKOAKNSA-N 1 0 360.498 2.393 20 30 FEEDRO COc1cccc(C[C@@H]2CCC[N@@H+]2CC(=O)N(CCC#N)CCC#N)c1 ZINC000065588968 541246826 /nfs/dbraw/zinc/24/68/26/541246826.db2.gz XJHOMFKIEVOXBD-SFHVURJKSA-N 1 0 354.454 2.358 20 30 FEEDRO COc1ccccc1S(=O)(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000065975257 541276274 /nfs/dbraw/zinc/27/62/74/541276274.db2.gz ZTJVCDUCFKQRQP-UHFFFAOYSA-N 1 0 373.478 2.319 20 30 FEEDRO C[NH+]1CCN(c2ncccc2CNc2ccc([N+](=O)[O-])cc2C#N)CC1 ZINC000066372843 541309164 /nfs/dbraw/zinc/30/91/64/541309164.db2.gz ZYAOHDOXCJQNPP-UHFFFAOYSA-N 1 0 352.398 2.225 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)NCC2(c3ccc(F)cc3)CCOCC2)CC1 ZINC000066922196 541394762 /nfs/dbraw/zinc/39/47/62/541394762.db2.gz FEIATDDROGTPMS-UHFFFAOYSA-N 1 0 358.457 2.335 20 30 FEEDRO C=CCOc1cccc(NC(=O)C(=O)N2CCC(CC[NH+](C)C)CC2)c1 ZINC000067377012 541451922 /nfs/dbraw/zinc/45/19/22/541451922.db2.gz UCWLSLOZLKRVBO-UHFFFAOYSA-N 1 0 359.470 2.380 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N(C)[C@H](C)c2ccc(-n3cncn3)cc2)CC1 ZINC000067706294 541502584 /nfs/dbraw/zinc/50/25/84/541502584.db2.gz BGOHGNZLFMERPP-MRXNPFEDSA-N 1 0 351.454 2.132 20 30 FEEDRO C#CCC[NH+]1CCN(c2ncnc3sc(C(=O)OCC)c(C)c32)CC1 ZINC000068320566 541576356 /nfs/dbraw/zinc/57/63/56/541576356.db2.gz QRZMPBIRRVFJET-UHFFFAOYSA-N 1 0 358.467 2.322 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N[C@@H](C)c2cccc(N3CCCC3=O)c2)CC1 ZINC000068714469 541622267 /nfs/dbraw/zinc/62/22/67/541622267.db2.gz SGAGXWYXILPCOO-INIZCTEOSA-N 1 0 353.466 2.336 20 30 FEEDRO C=CC[N@@H+](CC(=O)Nc1cccc(S(N)(=O)=O)c1)CC1CCCCC1 ZINC000069860227 541719679 /nfs/dbraw/zinc/71/96/79/541719679.db2.gz VEHVDQUQIUTEIT-UHFFFAOYSA-N 1 0 365.499 2.341 20 30 FEEDRO COc1cc(C#N)ccc1OCC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000071072642 541762668 /nfs/dbraw/zinc/76/26/68/541762668.db2.gz LVTYEXFQPVGACS-KRWDZBQOSA-N 1 0 353.422 2.365 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH+]1CCC2(CNC(=O)C2)CC1 ZINC000072696928 541853806 /nfs/dbraw/zinc/85/38/06/541853806.db2.gz MIEBLUHDRHLKFN-OAHLLOKOSA-N 1 0 361.511 2.253 20 30 FEEDRO Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000545197716 541899890 /nfs/dbraw/zinc/89/98/90/541899890.db2.gz BZVGLDKYYGCOSK-MRXNPFEDSA-N 1 0 367.457 2.299 20 30 FEEDRO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCC(c2nnc3ccccn32)CC1 ZINC000073644464 541979777 /nfs/dbraw/zinc/97/97/77/541979777.db2.gz KDQOLEZTMOBZKZ-MRXNPFEDSA-N 1 0 353.470 2.498 20 30 FEEDRO C[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)CCC(=O)N(CCC#N)c1ccccc1)C2 ZINC000073995655 542024134 /nfs/dbraw/zinc/02/41/34/542024134.db2.gz BKAQXLAVQSIKEZ-PKOBYXMFSA-N 1 0 368.481 2.409 20 30 FEEDRO C[N@H+](CCC(=O)Nc1ccc(C#N)cc1)C[C@@H](O)COCc1ccccc1 ZINC000074289322 542064590 /nfs/dbraw/zinc/06/45/90/542064590.db2.gz JGAFGQFKSILDDE-HXUWFJFHSA-N 1 0 367.449 2.396 20 30 FEEDRO C[C@H](NC(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1)c1cccc(C#N)c1 ZINC000074917962 542136098 /nfs/dbraw/zinc/13/60/98/542136098.db2.gz GARCSCLKRQCRTP-QFBILLFUSA-N 1 0 355.486 2.041 20 30 FEEDRO Cc1ccc(NC(=O)CS[C@H](C)C(=O)NC2(C#N)CC[NH+](C)CC2)cc1 ZINC000077037749 542342678 /nfs/dbraw/zinc/34/26/78/542342678.db2.gz JAXUBMCPHJBUDJ-OAHLLOKOSA-N 1 0 374.510 2.159 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)NCc1nnc2ccccn21)C(C)C ZINC000079265240 542509182 /nfs/dbraw/zinc/50/91/82/542509182.db2.gz IZEQVISUCLRJRN-INIZCTEOSA-N 1 0 356.474 2.227 20 30 FEEDRO CC(C)N1CC[C@@H]([NH2+]CC(=O)NCCC#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000801956572 674156686 /nfs/dbraw/zinc/15/66/86/674156686.db2.gz POZFYEFQDSGGED-AEFFLSMTSA-N 1 0 350.413 2.108 20 30 FEEDRO Cc1nnc(NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)c(C#N)c1C ZINC000080248030 542578358 /nfs/dbraw/zinc/57/83/58/542578358.db2.gz SMWZBOHUWCPYNN-UHFFFAOYSA-N 1 0 358.490 2.004 20 30 FEEDRO CNC(=O)[C@H](C)C[N@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1 ZINC000081576029 542666196 /nfs/dbraw/zinc/66/61/96/542666196.db2.gz LPUGMJRVGXXYFD-CYBMUJFWSA-N 1 0 373.501 2.344 20 30 FEEDRO C=CCNC(=O)NC(=O)[C@H](C)N1CC[NH+](C2CCC(C(C)C)CC2)CC1 ZINC000084680507 542718967 /nfs/dbraw/zinc/71/89/67/542718967.db2.gz GMAZZRYSMCNSQE-AOCRQIFASA-N 1 0 364.534 2.219 20 30 FEEDRO CCOc1ccc(C#N)cc1NC(=O)N1CCC[C@@H]1C[N@@H+]1CCC[C@@H]1CO ZINC000085576578 542730212 /nfs/dbraw/zinc/73/02/12/542730212.db2.gz AGBAAJIVODOZSQ-IAGOWNOFSA-N 1 0 372.469 2.410 20 30 FEEDRO CN(C)c1ccc(C(N)=[NH+]OCC(=O)Nc2ccnn2C2CCCC2)cc1 ZINC000085260972 542724769 /nfs/dbraw/zinc/72/47/69/542724769.db2.gz QIMZBOWYALQXAI-UHFFFAOYSA-N 1 0 370.457 2.340 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1ccccc1CN1CCOCC1 ZINC000086283534 542734772 /nfs/dbraw/zinc/73/47/72/542734772.db2.gz JGGRLHMBLDKPQR-UHFFFAOYSA-N 1 0 373.501 2.218 20 30 FEEDRO C#CCCCC[NH2+][C@@H](C)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000090397477 542784630 /nfs/dbraw/zinc/78/46/30/542784630.db2.gz MERLWEDXSOTDOD-INIZCTEOSA-N 1 0 350.484 2.162 20 30 FEEDRO Cn1ncnc1NC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000091186114 542797147 /nfs/dbraw/zinc/79/71/47/542797147.db2.gz VYPRTJAIPBQYKB-SJORKVTESA-N 1 0 354.458 2.347 20 30 FEEDRO CC[N@H+](CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1)Cc1ccc(OC)cc1 ZINC000091540296 542811878 /nfs/dbraw/zinc/81/18/78/542811878.db2.gz CIYYDJAGIFJQMD-FQEVSTJZSA-N 1 0 372.513 2.209 20 30 FEEDRO COc1ccccc1COC1CC[NH+]([C@H](C)C(=O)N(C)CCC#N)CC1 ZINC000092423136 542863593 /nfs/dbraw/zinc/86/35/93/542863593.db2.gz MGAIKHAAIWMLCB-MRXNPFEDSA-N 1 0 359.470 2.437 20 30 FEEDRO CN(CCC#N)C(=O)CC[N@@H+]1CCC[C@@H](Oc2ccc(Cl)cn2)C1 ZINC000092806329 542888305 /nfs/dbraw/zinc/88/83/05/542888305.db2.gz QPSDBRXLRWSIQP-OAHLLOKOSA-N 1 0 350.850 2.340 20 30 FEEDRO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCCC[C@@H]2C(=O)N2CCOCC2)cc1 ZINC000093014328 542901630 /nfs/dbraw/zinc/90/16/30/542901630.db2.gz GPEDIHMMSIIKHG-QFBILLFUSA-N 1 0 357.454 2.191 20 30 FEEDRO CC(C)C(=O)NC[C@H]1CCC[N@H+](CCC(=O)Nc2sccc2C#N)C1 ZINC000101911350 543049757 /nfs/dbraw/zinc/04/97/57/543049757.db2.gz NEQJESUFGWZNLM-CQSZACIVSA-N 1 0 362.499 2.433 20 30 FEEDRO C[C@@H]1CCC[N@H+](CCCCNC(=O)C(=O)Nc2ccc(F)c(C#N)c2)C1 ZINC000102962936 543086741 /nfs/dbraw/zinc/08/67/41/543086741.db2.gz BAPZZOSFWAHQEP-CQSZACIVSA-N 1 0 360.433 2.264 20 30 FEEDRO CN1CC[NH+](CC2CCN(C(=O)CSc3ccc(C#N)cc3)CC2)CC1 ZINC000103206684 543097497 /nfs/dbraw/zinc/09/74/97/543097497.db2.gz IPBFZVYXLRLZBI-UHFFFAOYSA-N 1 0 372.538 2.136 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)CCn2cnc3c(C)cccc3c2=O)CC1 ZINC000106038149 543186161 /nfs/dbraw/zinc/18/61/61/543186161.db2.gz XJCPXARFCYIQMF-UHFFFAOYSA-N 1 0 368.481 2.252 20 30 FEEDRO COc1ccc([C@H](CNC(=O)N2CCO[C@H](C#N)C2)[NH+]2CCCCC2)cc1 ZINC000106328117 543223323 /nfs/dbraw/zinc/22/33/23/543223323.db2.gz BCCPFDLNUPZGRA-MOPGFXCFSA-N 1 0 372.469 2.156 20 30 FEEDRO N#C[C@@H]1CN(C(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)CCO1 ZINC000106331363 543223689 /nfs/dbraw/zinc/22/36/89/543223689.db2.gz ZGYKQXZEUCOIGN-SJORKVTESA-N 1 0 362.861 2.411 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cc(F)c(OC)c(F)c2)CC1 ZINC000106349032 543224824 /nfs/dbraw/zinc/22/48/24/543224824.db2.gz GTWOROBLMPTJLP-UHFFFAOYSA-N 1 0 367.396 2.069 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(OCC)c(F)c2)CC1 ZINC000106349027 543224856 /nfs/dbraw/zinc/22/48/56/543224856.db2.gz PWSWMFVXDASSFR-UHFFFAOYSA-N 1 0 363.433 2.320 20 30 FEEDRO CC[NH+]1CCC(NC(=O)C(=O)Nc2ccccc2SC[C@H](C)C#N)CC1 ZINC000108604844 543297324 /nfs/dbraw/zinc/29/73/24/543297324.db2.gz SURDMRRPMBYGIE-CQSZACIVSA-N 1 0 374.510 2.477 20 30 FEEDRO COCC[N@H+](C)CC[C@H](NC(=O)C1(C#N)CCOCC1)c1ccccc1 ZINC000109142588 543315710 /nfs/dbraw/zinc/31/57/10/543315710.db2.gz CNZDGKLPTSHJEH-SFHVURJKSA-N 1 0 359.470 2.133 20 30 FEEDRO CC[NH+]1CCN(Cc2ccc(NC(=O)C3(C#N)CCOCC3)cc2)CC1 ZINC000109139872 543315851 /nfs/dbraw/zinc/31/58/51/543315851.db2.gz HIIKTCBCDRFNHW-UHFFFAOYSA-N 1 0 356.470 2.083 20 30 FEEDRO C[NH+](C)[C@H]1CCN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)C1 ZINC000109404079 543324087 /nfs/dbraw/zinc/32/40/87/543324087.db2.gz DYAGJAWWHOUXRX-CVEARBPZSA-N 1 0 359.449 2.012 20 30 FEEDRO C[NH+](C)CCNC(=O)c1ccc(CNC(=O)C2(C#N)CCCCC2)cc1 ZINC000112294441 543439462 /nfs/dbraw/zinc/43/94/62/543439462.db2.gz SKHFHSIFNVZACK-UHFFFAOYSA-N 1 0 356.470 2.068 20 30 FEEDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)COc2ccc(C#N)cc2)[C@H](C)C1 ZINC000115273280 543557803 /nfs/dbraw/zinc/55/78/03/543557803.db2.gz QJKXXGJCCUDWOT-VQIMIIECSA-N 1 0 359.470 2.190 20 30 FEEDRO C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)c3ccc(C#N)nc3)cc2)C[C@H](C)O1 ZINC000115331231 543559960 /nfs/dbraw/zinc/55/99/60/543559960.db2.gz YBOCZLDDVSNPAU-IYBDPMFKSA-N 1 0 364.449 2.492 20 30 FEEDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1S(=O)(=O)Cc1ccc(C#N)cc1F ZINC000552108948 674188307 /nfs/dbraw/zinc/18/83/07/674188307.db2.gz ODXZKIVNOLNEJF-BBRMVZONSA-N 1 0 351.447 2.086 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CCC[C@H](C(=O)NC(C)C)C2)CC1 ZINC000116547370 543609990 /nfs/dbraw/zinc/60/99/90/543609990.db2.gz XTYJRHUCNXJNTI-WMZOPIPTSA-N 1 0 364.534 2.410 20 30 FEEDRO CC[NH+](CC)CCNC(=O)C(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000118095185 543644532 /nfs/dbraw/zinc/64/45/32/543644532.db2.gz HDZIQCBADORENP-CQSZACIVSA-N 1 0 362.499 2.335 20 30 FEEDRO CC[N@H+](CCNC(=O)C(=O)Nc1ccccc1SC[C@H](C)C#N)C1CC1 ZINC000118121072 543646818 /nfs/dbraw/zinc/64/68/18/543646818.db2.gz MENVICXKLORXBN-CQSZACIVSA-N 1 0 374.510 2.477 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cccc(C(=O)N3CCCC3)n2)CC1 ZINC000119279414 543665661 /nfs/dbraw/zinc/66/56/61/543665661.db2.gz DQZIPIHTCBVATB-UHFFFAOYSA-N 1 0 356.470 2.088 20 30 FEEDRO N#CCc1ccc(OC[C@@H](O)C[NH+]2CCC(OC[C@H]3CCOC3)CC2)cc1 ZINC000119486456 543668502 /nfs/dbraw/zinc/66/85/02/543668502.db2.gz KOZPKMUYQKFRIN-OALUTQOASA-N 1 0 374.481 2.010 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC(c2nncn2C)CC1)C(C)C ZINC000119705952 543670467 /nfs/dbraw/zinc/67/04/67/543670467.db2.gz ZQOXLVAVFLKSFS-GOSISDBHSA-N 1 0 374.533 2.403 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1cc(F)cc(Cl)c1 ZINC000122164649 543704688 /nfs/dbraw/zinc/70/46/88/543704688.db2.gz VVVFUUHPIORVHV-UHFFFAOYSA-N 1 0 354.813 2.112 20 30 FEEDRO N#Cc1ccc2ncc(C[NH2+]C[C@H](O)COc3ccc(F)c(F)c3)n2c1 ZINC000123661381 543775722 /nfs/dbraw/zinc/77/57/22/543775722.db2.gz JQKZLXAIMFYAJY-AWEZNQCLSA-N 1 0 358.348 2.014 20 30 FEEDRO C=CCC[C@@H](O)C[N@H+]1CCCN(C(=O)CCc2ccc(OC)cc2)CC1 ZINC000126209163 543923946 /nfs/dbraw/zinc/92/39/46/543923946.db2.gz IHXFQCUYNSNNSQ-LJQANCHMSA-N 1 0 360.498 2.489 20 30 FEEDRO O=C(C#Cc1ccc2c(c1)OCO2)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000126552856 543942619 /nfs/dbraw/zinc/94/26/19/543942619.db2.gz NDUINDVUACONTL-WMZOPIPTSA-N 1 0 352.434 2.242 20 30 FEEDRO CCC[C@@H]1CN(C(=O)[C@@H](C)Oc2ccc(C#N)cc2)CC[N@@H+]1CCOC ZINC000128002640 544026673 /nfs/dbraw/zinc/02/66/73/544026673.db2.gz BPGQAXWQTXMANQ-SJLPKXTDSA-N 1 0 359.470 2.285 20 30 FEEDRO C[C@@H]1C[C@H](NS(=O)(=O)c2ccc(C#N)cc2)C[N@@H+]1Cc1ccccc1 ZINC000128216305 544039545 /nfs/dbraw/zinc/03/95/45/544039545.db2.gz LVWKSQNSOSAIKD-QAPCUYQASA-N 1 0 355.463 2.500 20 30 FEEDRO C=CCNc1ncc(C(=O)N2CCC(OCC[NH+]3CCCC3)CC2)s1 ZINC000129486311 544115107 /nfs/dbraw/zinc/11/51/07/544115107.db2.gz KWVMDOHLTVQGEZ-UHFFFAOYSA-N 1 0 364.515 2.458 20 30 FEEDRO COCC[N@H+]1[C@H](C)CN(Cc2nnc(-c3ccc(C#N)cc3)o2)C[C@@H]1C ZINC000129712948 544124638 /nfs/dbraw/zinc/12/46/38/544124638.db2.gz RAXBEVFFQNKHBU-GASCZTMLSA-N 1 0 355.442 2.149 20 30 FEEDRO CCN1CC[NH+](CCCCNC(=O)C(C)(C)Oc2ccc(C#N)cc2)CC1 ZINC000130260118 544144328 /nfs/dbraw/zinc/14/43/28/544144328.db2.gz WZERZAXHZRQZJR-UHFFFAOYSA-N 1 0 372.513 2.250 20 30 FEEDRO CCOCCCNC(=O)C1CC[NH+](Cc2ccc(OC)c(C#N)c2)CC1 ZINC000134981073 544330362 /nfs/dbraw/zinc/33/03/62/544330362.db2.gz POMSXIJOFOQTPJ-UHFFFAOYSA-N 1 0 359.470 2.322 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)CC1 ZINC000139914665 544405659 /nfs/dbraw/zinc/40/56/59/544405659.db2.gz GDQONEHQXMLSNV-QGZVFWFLSA-N 1 0 359.539 2.422 20 30 FEEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000150845650 544477909 /nfs/dbraw/zinc/47/79/09/544477909.db2.gz VOXFLJXUIBSZNM-QGZVFWFLSA-N 1 0 370.497 2.273 20 30 FEEDRO Cc1cc(Br)ccc1C[NH2+]CCNC(=O)C1N=CC=CC1=O ZINC000151980559 544602179 /nfs/dbraw/zinc/60/21/79/544602179.db2.gz ABBZJQFPLHHSFK-NXVVXOECSA-N 1 0 364.243 2.374 20 30 FEEDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)CCCC(=O)Nc1ccccc1C#N ZINC000151974302 544602811 /nfs/dbraw/zinc/60/28/11/544602811.db2.gz FYABDARGMGFWDN-YJBOKZPZSA-N 1 0 356.470 2.466 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000152609370 544673802 /nfs/dbraw/zinc/67/38/02/544673802.db2.gz FVZCXVSMOZBDAQ-UHFFFAOYSA-N 1 0 370.413 2.088 20 30 FEEDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)Nc1ccc(C#N)cc1 ZINC000153178049 544743088 /nfs/dbraw/zinc/74/30/88/544743088.db2.gz QTMPOJPIHSHRGV-KXBFYZLASA-N 1 0 362.433 2.133 20 30 FEEDRO CC(C)[C@H](C)NC(=O)C1CC[NH+](C[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC000153893742 544836957 /nfs/dbraw/zinc/83/69/57/544836957.db2.gz CDGHPRFFXNAVMP-QFBILLFUSA-N 1 0 373.497 2.171 20 30 FEEDRO CC(=O)N1CCC(C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1 ZINC000180174484 327674862 /nfs/dbraw/zinc/67/48/62/327674862.db2.gz WELBIQVJHMJLEZ-UHFFFAOYSA-N 1 0 351.454 2.307 20 30 FEEDRO COc1cc(C#N)ccc1S(=O)(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000185914213 327938956 /nfs/dbraw/zinc/93/89/56/327938956.db2.gz YGQGFMAYMBIFIQ-CQSZACIVSA-N 1 0 351.472 2.110 20 30 FEEDRO COC(=O)COc1ccc(C[N@H+](C)C[C@@H](O)c2ccc(C#N)cc2)cc1 ZINC000187730254 328042422 /nfs/dbraw/zinc/04/24/22/328042422.db2.gz WGWOVXHWEITJSL-LJQANCHMSA-N 1 0 354.406 2.275 20 30 FEEDRO COC(=O)COc1ccc(C[N@H+](C)C[C@H](O)c2ccc(C#N)cc2)cc1 ZINC000187730228 328042432 /nfs/dbraw/zinc/04/24/32/328042432.db2.gz WGWOVXHWEITJSL-IBGZPJMESA-N 1 0 354.406 2.275 20 30 FEEDRO C[N@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)CC1(O)CCOCC1 ZINC000189754839 328166147 /nfs/dbraw/zinc/16/61/47/328166147.db2.gz ILYKAHKHDKAMKT-UHFFFAOYSA-N 1 0 351.834 2.014 20 30 FEEDRO CCOc1ccc(C#N)cc1NC(=O)C(=O)N(CC[NH+](C)C)C1CCCC1 ZINC000190369217 328203575 /nfs/dbraw/zinc/20/35/75/328203575.db2.gz YHUMSXZXMHVSAJ-UHFFFAOYSA-N 1 0 372.469 2.228 20 30 FEEDRO Cn1cc(CN2CCCN(C(=O)Cc3cccc(F)c3)CC2)cc1C#N ZINC000191277635 328257822 /nfs/dbraw/zinc/25/78/22/328257822.db2.gz ROWKMOTWJHLYGN-UHFFFAOYSA-N 1 0 354.429 2.313 20 30 FEEDRO Cn1cc(C[NH2+][C@@H]2CCCN(Cc3ccc(F)cc3F)C2=O)cc1C#N ZINC000191623601 328274517 /nfs/dbraw/zinc/27/45/17/328274517.db2.gz HIEQBANYMOMBCI-GOSISDBHSA-N 1 0 358.392 2.456 20 30 FEEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)NCC[NH+]1CCC(C)CC1 ZINC000054851127 324766531 /nfs/dbraw/zinc/76/65/31/324766531.db2.gz KVAMYOIWFHIRPL-UHFFFAOYSA-N 1 0 372.469 2.132 20 30 FEEDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000077541731 324995034 /nfs/dbraw/zinc/99/50/34/324995034.db2.gz GWKSKWZNAZMXME-MGPQQGTHSA-N 1 0 360.433 2.118 20 30 FEEDRO N#Cc1ccc(OC[C@@H](O)C[NH+]2CCC(CC(=O)N3CCCC3)CC2)cc1 ZINC000078484106 325047900 /nfs/dbraw/zinc/04/79/00/325047900.db2.gz CNNQAXASXYFRBR-IBGZPJMESA-N 1 0 371.481 2.022 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H]2C[C@@H]2c2cccc(OC)c2)c1C#N ZINC000089662256 325325955 /nfs/dbraw/zinc/32/59/55/325325955.db2.gz WVUMTBRLYXGCSS-HUUCEWRRSA-N 1 0 353.426 2.184 20 30 FEEDRO C[C@H](NC(=O)c1ccc(C#N)[nH]1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000121085297 326312105 /nfs/dbraw/zinc/31/21/05/326312105.db2.gz YICKPGRETRBUDP-ZDUSSCGKSA-N 1 0 355.417 2.268 20 30 FEEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)CCC(=O)NC1CCCC1 ZINC000123951123 326445221 /nfs/dbraw/zinc/44/52/21/326445221.db2.gz PAYBYMVDVPUOBD-UHFFFAOYSA-N 1 0 370.497 2.287 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(-n2cnnc2)cc1 ZINC000130565720 326559233 /nfs/dbraw/zinc/55/92/33/326559233.db2.gz DURISIMWGOWGBB-UHFFFAOYSA-N 1 0 374.448 2.343 20 30 FEEDRO N#Cc1ccnc(Sc2nnc(C3CC[NH2+]CC3)n2C2CC2)c1[N+](=O)[O-] ZINC000150860552 326669764 /nfs/dbraw/zinc/66/97/64/326669764.db2.gz YOFZVKRJOKXLPO-UHFFFAOYSA-N 1 0 371.426 2.406 20 30 FEEDRO C[NH+](C)CC1CCC(NC(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)CC1 ZINC000158039729 326883069 /nfs/dbraw/zinc/88/30/69/326883069.db2.gz YLSCMTPSXNEQNV-UHFFFAOYSA-N 1 0 362.861 2.387 20 30 FEEDRO C[C@@H]([NH2+]C1CCN(c2ccc(C#N)cn2)CC1)c1ccc(-n2cnnn2)cc1 ZINC000161769499 327008572 /nfs/dbraw/zinc/00/85/72/327008572.db2.gz BRMAQVRBFLSJPS-OAHLLOKOSA-N 1 0 374.452 2.249 20 30 FEEDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NS(=O)(=O)c1ccccc1C#N ZINC000162329114 327022754 /nfs/dbraw/zinc/02/27/54/327022754.db2.gz JCGOZZXGFBFPEN-YJBOKZPZSA-N 1 0 355.463 2.357 20 30 FEEDRO C[C@@H]1C[NH+](CC2CCN(C(=O)Cc3ccc(C#N)cc3)CC2)C[C@@H](C)O1 ZINC000171224985 327125849 /nfs/dbraw/zinc/12/58/49/327125849.db2.gz RKXFIAWYPWPJNX-IAGOWNOFSA-N 1 0 355.482 2.449 20 30 FEEDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)N1CCN(c2ccc(C#N)cn2)CC1 ZINC000172154469 327184353 /nfs/dbraw/zinc/18/43/53/327184353.db2.gz WYSOLNXBVQHSMR-SFHVURJKSA-N 1 0 370.501 2.049 20 30 FEEDRO CC[C@H]1CN(C(=O)Nc2cc(C#N)cn2C(C)(C)C)CC[N@@H+]1C[C@@H](C)O ZINC000173270672 327245613 /nfs/dbraw/zinc/24/56/13/327245613.db2.gz HNVKJQFKJLXBJP-ZBFHGGJFSA-N 1 0 361.490 2.424 20 30 FEEDRO COCC[NH+]1CCC(N[C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000173644209 327273320 /nfs/dbraw/zinc/27/33/20/327273320.db2.gz PEVAYABZSJCHTC-ZDUSSCGKSA-N 1 0 364.877 2.239 20 30 FEEDRO N#Cc1ccc(-c2nnc(CN3CC[NH+](CC4CCOCC4)CC3)o2)cc1 ZINC000173770618 327283137 /nfs/dbraw/zinc/28/31/37/327283137.db2.gz SYPBWZHPVULFOZ-UHFFFAOYSA-N 1 0 367.453 2.152 20 30 FEEDRO Cc1cccc(NC(=O)C(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)c1C#N ZINC000174782047 327350947 /nfs/dbraw/zinc/35/09/47/327350947.db2.gz UKGHVYSEXLHOAA-AWEZNQCLSA-N 1 0 356.470 2.432 20 30 FEEDRO COc1cc(C#N)ccc1OCC(=O)N1CC[C@@H]2CC[C@H](C1)[N@@H+]2C(C)C ZINC000175017320 327368404 /nfs/dbraw/zinc/36/84/04/327368404.db2.gz FLHDEUFRTCECKI-DLBZAZTESA-N 1 0 357.454 2.419 20 30 FEEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000178004415 327558345 /nfs/dbraw/zinc/55/83/45/327558345.db2.gz NEKWMKVLCGVCEW-HOTGVXAUSA-N 1 0 372.469 2.273 20 30 FEEDRO Cc1cc(N2CCC([NH2+]Cc3cnc4ccc(C#N)cn34)CC2)nc(C)n1 ZINC000178615456 327595868 /nfs/dbraw/zinc/59/58/68/327595868.db2.gz XLNQTSLQPLBBSS-UHFFFAOYSA-N 1 0 361.453 2.371 20 30 FEEDRO CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CC1 ZINC000266128160 329192838 /nfs/dbraw/zinc/19/28/38/329192838.db2.gz QKDDLMSNSPAFRJ-UHFFFAOYSA-N 1 0 368.359 2.116 20 30 FEEDRO COc1ccc(C[NH2+][C@H](C)CN2CCN(c3ccccn3)CC2)cc1C#N ZINC000266169335 329196767 /nfs/dbraw/zinc/19/67/67/329196767.db2.gz QNDIYMQUCHXCTL-QGZVFWFLSA-N 1 0 365.481 2.262 20 30 FEEDRO CC(C)N1CC[C@H]([NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)C1=O ZINC000267008479 329282718 /nfs/dbraw/zinc/28/27/18/329282718.db2.gz LKUDEMLLWGSEBD-SFHVURJKSA-N 1 0 354.454 2.218 20 30 FEEDRO C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000267293176 329311310 /nfs/dbraw/zinc/31/13/10/329311310.db2.gz VZMQKJPEXRUOKF-MRXNPFEDSA-N 1 0 359.470 2.285 20 30 FEEDRO CCOC(=O)CC1CCN([C@H]2CCN(c3sccc3C#N)C2=O)CC1 ZINC000267558708 329338221 /nfs/dbraw/zinc/33/82/21/329338221.db2.gz GRKHNICURKZHHO-HNNXBMFYSA-N 1 0 361.467 2.390 20 30 FEEDRO N#Cc1ccc(Cl)c(NC(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000268066327 329382072 /nfs/dbraw/zinc/38/20/72/329382072.db2.gz PMNCACGBOBXSDF-AWEZNQCLSA-N 1 0 360.845 2.094 20 30 FEEDRO C[NH+](C)Cc1ccsc1C(=O)N1CCN(c2ncccc2C#N)CC1 ZINC000268086346 329383716 /nfs/dbraw/zinc/38/37/16/329383716.db2.gz HSCUFFMKAVAYBC-UHFFFAOYSA-N 1 0 355.467 2.039 20 30 FEEDRO CC(C)[NH+]1CCN(C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)CC1 ZINC000271132093 329665078 /nfs/dbraw/zinc/66/50/78/329665078.db2.gz KLUIBDBUOBNWAM-UHFFFAOYSA-N 1 0 371.485 2.379 20 30 FEEDRO C[C@@H]([NH2+]CC(=O)NCCOc1ccc2c(c1)OCO2)c1ccc(C#N)cc1 ZINC000271631293 329709572 /nfs/dbraw/zinc/70/95/72/329709572.db2.gz FMPHWYXBHKRLHD-CQSZACIVSA-N 1 0 367.405 2.133 20 30 FEEDRO N#Cc1ccc(C(=O)NCCc2ccc(OCC[NH+]3CCCC3)cc2)[nH]1 ZINC000271663167 329712974 /nfs/dbraw/zinc/71/29/74/329712974.db2.gz KXPRVDWALQLLSH-UHFFFAOYSA-N 1 0 352.438 2.333 20 30 FEEDRO COc1cc(C#N)ccc1OCCN1C[C@@H]([NH+]2CCCC2)[C@@H](SC)C1 ZINC000274150861 329920346 /nfs/dbraw/zinc/92/03/46/329920346.db2.gz YGNLLBDHIZYQTR-APWZRJJASA-N 1 0 361.511 2.457 20 30 FEEDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@@H]3CCN(c4ccc(C#N)cc4F)C3)CC[C@H]21 ZINC000286427318 330184435 /nfs/dbraw/zinc/18/44/35/330184435.db2.gz BLXVYNDVRREOCB-ZHALLVOQSA-N 1 0 370.472 2.466 20 30 FEEDRO N#Cc1ccc(C[NH2+]C[C@@H]2CCN(S(=O)(=O)c3cccs3)C2)s1 ZINC000367204920 330229891 /nfs/dbraw/zinc/22/98/91/330229891.db2.gz FIZJSBMWDVOAOS-LBPRGKRZSA-N 1 0 367.521 2.482 20 30 FEEDRO COc1cc(C#N)ccc1OCC[N@@H+]1CCC[C@H]1C[C@H](O)c1cnn(C)c1 ZINC000371456144 330243690 /nfs/dbraw/zinc/24/36/90/330243690.db2.gz FSMFZMWSQUKCNF-ROUUACIJSA-N 1 0 370.453 2.267 20 30 FEEDRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000416706000 330262513 /nfs/dbraw/zinc/26/25/13/330262513.db2.gz MHGULFMDNDYAGV-OXJNMPFZSA-N 1 0 369.513 2.261 20 30 FEEDRO CC[C@@H](CO)[NH+]1CCN(Cc2ccc(Br)cc2C#N)CC1 ZINC000554237758 674309271 /nfs/dbraw/zinc/30/92/71/674309271.db2.gz DLKQBWVBEUQBLS-INIZCTEOSA-N 1 0 352.276 2.209 20 30 FEEDRO C#C[C@H](NC(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc(Cl)cc1F ZINC000805074390 674317166 /nfs/dbraw/zinc/31/71/66/674317166.db2.gz JIQVQNXJSZTKQV-CPUCHLNUSA-N 1 0 365.836 2.316 20 30 FEEDRO CSC[C@@](C)(C#N)NC(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000554776901 674336052 /nfs/dbraw/zinc/33/60/52/674336052.db2.gz VMOGPBWLTKFQMG-LJQANCHMSA-N 1 0 360.527 2.350 20 30 FEEDRO Cc1nc(NCCN2CCN(C(=O)C3CCCCC3)CC2)ccc1C#N ZINC000488065260 538703286 /nfs/dbraw/zinc/70/32/86/538703286.db2.gz CUZZYNCGVJBWKF-UHFFFAOYSA-N 1 0 355.486 2.398 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cc(CS(C)(=O)=O)c(C)s2)CC1 ZINC000155969723 545587995 /nfs/dbraw/zinc/58/79/95/545587995.db2.gz MERMPVNENGAHHT-UHFFFAOYSA-N 1 0 370.540 2.371 20 30 FEEDRO Cc1ccc(CN(CC[NH+](C)C)S(=O)(=O)c2ccc(F)cc2C#N)o1 ZINC000156648353 545642662 /nfs/dbraw/zinc/64/26/62/545642662.db2.gz ZRTAHPZHJATDTK-UHFFFAOYSA-N 1 0 365.430 2.351 20 30 FEEDRO CC(C)CN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(F)cc1C#N ZINC000156702093 545649874 /nfs/dbraw/zinc/64/98/74/545649874.db2.gz OOXIYMPTPAGXDO-UHFFFAOYSA-N 1 0 353.463 2.438 20 30 FEEDRO Cc1nc(CN2CCCN(C(=O)CNc3cccc(C#N)c3)CC2)cs1 ZINC000158718543 545888608 /nfs/dbraw/zinc/88/86/08/545888608.db2.gz OHDDAILDNVIOKO-UHFFFAOYSA-N 1 0 369.494 2.470 20 30 FEEDRO CC1CC[NH+](C[C@H](O)CNC(=O)N[C@H](CCC#N)c2ccccc2)CC1 ZINC000160676275 546062904 /nfs/dbraw/zinc/06/29/04/546062904.db2.gz HZTUFZJQPYFIEI-RTBURBONSA-N 1 0 358.486 2.423 20 30 FEEDRO C=CCN(CCOC)C(=O)NCc1ccc(CN2CC[NH+](CC)CC2)cc1 ZINC000478781127 561174613 /nfs/dbraw/zinc/17/46/13/561174613.db2.gz CSDXJCMDMRRAFA-UHFFFAOYSA-N 1 0 374.529 2.168 20 30 FEEDRO Cn1cc(CNC(=[NH2+])N[C@@H]2CCOc3ccccc32)c(C(F)(F)F)n1 ZINC000160800928 546073329 /nfs/dbraw/zinc/07/33/29/546073329.db2.gz KYBWZBYLYQWJPR-GFCCVEGCSA-N 1 0 353.348 2.367 20 30 FEEDRO O=C(NCC[NH2+]Cc1cc(F)cc(C(F)(F)F)c1)C1N=CC=CC1=O ZINC000162609513 546140331 /nfs/dbraw/zinc/14/03/31/546140331.db2.gz SIXHNLVAUIOEKO-CCEZHUSRSA-N 1 0 357.307 2.461 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCN(C(=O)c3ccccc3)CC2)CC1 ZINC000171607331 546216686 /nfs/dbraw/zinc/21/66/86/546216686.db2.gz YOHOXDXAXPRIOL-UHFFFAOYSA-N 1 0 370.497 2.195 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000171718670 546220922 /nfs/dbraw/zinc/22/09/22/546220922.db2.gz XSABITDCTUGEAQ-UHFFFAOYSA-N 1 0 355.398 2.161 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)Cc2cc(Cl)c3c(c2)OCCO3)CC1 ZINC000171721713 546222035 /nfs/dbraw/zinc/22/20/35/546222035.db2.gz YCVDFGQKYLGNIB-UHFFFAOYSA-N 1 0 350.846 2.420 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)CC1 ZINC000171740117 546222682 /nfs/dbraw/zinc/22/26/82/546222682.db2.gz WWDLJYITFOTSMU-UHFFFAOYSA-N 1 0 373.425 2.455 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N2CCN(C(=O)c3ccc(C)cc3)CC2)CC1 ZINC000171736630 546223640 /nfs/dbraw/zinc/22/36/40/546223640.db2.gz YUWBVJWXQLLNRR-UHFFFAOYSA-N 1 0 370.497 2.113 20 30 FEEDRO C[NH+]=C(NCC[C@H]1c2ccccc2NC1=O)NCc1ccc2c(c1)OCO2 ZINC000172123164 546237272 /nfs/dbraw/zinc/23/72/72/546237272.db2.gz YBJDKSMDTKDJIY-HNNXBMFYSA-N 1 0 366.421 2.206 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N[C@H]2CCN(c3ccc(C)cc3)C2=O)CC1 ZINC000173196221 546275874 /nfs/dbraw/zinc/27/58/74/546275874.db2.gz VBTATXYMXHMRFD-SFHVURJKSA-N 1 0 356.470 2.050 20 30 FEEDRO C[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1)C2 ZINC000173223561 546275898 /nfs/dbraw/zinc/27/58/98/546275898.db2.gz ZPJYPYQJIWYJKD-DLBZAZTESA-N 1 0 354.454 2.121 20 30 FEEDRO Cc1cccc(N2CC[NH+](CCC(=O)N(CCC#N)CCC#N)CC2)c1 ZINC000174215909 546293565 /nfs/dbraw/zinc/29/35/65/546293565.db2.gz RHXNHVZRFNCYHX-UHFFFAOYSA-N 1 0 353.470 2.163 20 30 FEEDRO COc1ccc(N2CCN(CCC[NH2+]Cc3ccc(C#N)o3)CC2)cc1 ZINC000174248934 546293968 /nfs/dbraw/zinc/29/39/68/546293968.db2.gz QJBNOBMQSYOJOQ-UHFFFAOYSA-N 1 0 354.454 2.462 20 30 FEEDRO CCOc1ccc(C#N)cc1NC(=O)NC[C@H](C)C[NH+]1CCN(CC)CC1 ZINC000175619692 546320784 /nfs/dbraw/zinc/32/07/84/546320784.db2.gz MCDLDQLZFNQPSQ-INIZCTEOSA-N 1 0 373.501 2.352 20 30 FEEDRO Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NCc1ccc(C#N)cc1 ZINC000176046042 546395388 /nfs/dbraw/zinc/39/53/88/546395388.db2.gz CDXNYFTXMSGELC-UHFFFAOYSA-N 1 0 350.422 2.183 20 30 FEEDRO C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)NCc1cc(C#N)ccc1F ZINC000176045221 546395431 /nfs/dbraw/zinc/39/54/31/546395431.db2.gz BTTHXVDCANHOTJ-UHFFFAOYSA-N 1 0 369.400 2.180 20 30 FEEDRO CCO[C@H]1C[C@@H](N(C)CCS(=O)(=O)c2ccc(C#N)cc2)C1(C)C ZINC000176260475 546425360 /nfs/dbraw/zinc/42/53/60/546425360.db2.gz RDGKUCJNEODQQN-SJORKVTESA-N 1 0 350.484 2.467 20 30 FEEDRO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000176898892 546504212 /nfs/dbraw/zinc/50/42/12/546504212.db2.gz OECCIIOYFBSDKX-KRWDZBQOSA-N 1 0 356.470 2.369 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(N(C)C)c(Cl)c2)CC1 ZINC000177055937 546534120 /nfs/dbraw/zinc/53/41/20/546534120.db2.gz PVWHSGOSSDXMPG-UHFFFAOYSA-N 1 0 364.877 2.111 20 30 FEEDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NS(=O)(=O)Cc1ccc(C#N)cc1F ZINC000480695018 561214605 /nfs/dbraw/zinc/21/46/05/561214605.db2.gz IQTANEQSSIIOLP-KGLIPLIRSA-N 1 0 353.463 2.237 20 30 FEEDRO CN(Cc1nc2ccccc2n1C)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000177194361 546567568 /nfs/dbraw/zinc/56/75/68/546567568.db2.gz QPSYDFSBEYPKOZ-MRXNPFEDSA-N 1 0 350.422 2.317 20 30 FEEDRO C=CCN1CCC([NH2+][C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)CC1 ZINC000177313619 546592001 /nfs/dbraw/zinc/59/20/01/546592001.db2.gz BUPVEPWTYWBZNQ-HNNXBMFYSA-N 1 0 351.516 2.238 20 30 FEEDRO N#Cc1ccc(C(=O)NCC(=O)NC2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000177429745 546616396 /nfs/dbraw/zinc/61/63/96/546616396.db2.gz OSJLPGYFLDIINN-UHFFFAOYSA-N 1 0 368.481 2.201 20 30 FEEDRO COc1cccc(CN(C)C(=O)CO[NH+]=C(N)c2ccc(N(C)C)cc2)c1 ZINC000177562287 546645849 /nfs/dbraw/zinc/64/58/49/546645849.db2.gz ZQJDTKIGQUZKLW-UHFFFAOYSA-N 1 0 370.453 2.057 20 30 FEEDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)Nc2cccc(OCCCC#N)c2)C1 ZINC000178000823 546721219 /nfs/dbraw/zinc/72/12/19/546721219.db2.gz FNFLQEHUFWVABF-DOTOQJQBSA-N 1 0 372.469 2.297 20 30 FEEDRO C#CCOc1ccc([C@@H](C)[NH2+]Cc2ccc(OCC(N)=O)c(OC)c2)cc1 ZINC000178028435 546725074 /nfs/dbraw/zinc/72/50/74/546725074.db2.gz AWWWKWOCZQANFI-OAHLLOKOSA-N 1 0 368.433 2.422 20 30 FEEDRO COC(=O)COc1ccc(CN(C)CC(=O)Nc2ccc(C#N)cc2)cc1 ZINC000481138580 561226012 /nfs/dbraw/zinc/22/60/12/561226012.db2.gz LRAQZSHOJDJAJH-UHFFFAOYSA-N 1 0 367.405 2.181 20 30 FEEDRO Cc1c(C#N)cccc1NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000178507376 546805143 /nfs/dbraw/zinc/80/51/43/546805143.db2.gz FDZDBXPAMUENFS-SJORKVTESA-N 1 0 354.454 2.279 20 30 FEEDRO Cc1c(C#N)cccc1NC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000178909254 546872523 /nfs/dbraw/zinc/87/25/23/546872523.db2.gz BUUHHGDVWQANGP-QFBILLFUSA-N 1 0 366.465 2.281 20 30 FEEDRO C=CCOc1c(Br)cc(C[NH2+]C[C@@]2(O)CCOC2)cc1OC ZINC000179018604 546887495 /nfs/dbraw/zinc/88/74/95/546887495.db2.gz YQBZXWGINAJWNC-INIZCTEOSA-N 1 0 372.259 2.264 20 30 FEEDRO C=CCOc1ccccc1CNC(=O)C(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000481880097 561244588 /nfs/dbraw/zinc/24/45/88/561244588.db2.gz SKPLIKPQOLOJFB-SJORKVTESA-N 1 0 373.497 2.104 20 30 FEEDRO Cc1c(C#N)cccc1NC(=O)C(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000179401405 546946351 /nfs/dbraw/zinc/94/63/51/546946351.db2.gz ZYAGTTJEPUEAPS-UHFFFAOYSA-N 1 0 356.470 2.386 20 30 FEEDRO C[C@@](C#N)(NC(=O)C[NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1)C1CC1 ZINC000179745020 547006364 /nfs/dbraw/zinc/00/63/64/547006364.db2.gz ILKVFLDHSWJMRE-PMACEKPBSA-N 1 0 355.438 2.307 20 30 FEEDRO CN1CC[NH+](CC2CCN(C(=O)c3ccc(C4(C#N)CC4)cc3)CC2)CC1 ZINC000180363331 547092652 /nfs/dbraw/zinc/09/26/52/547092652.db2.gz YUEYPZMZQHRNAW-UHFFFAOYSA-N 1 0 366.509 2.341 20 30 FEEDRO N#CC1(c2ccc(C(=O)N3CCC[C@H](C[NH+]4CCOCC4)C3)cc2)CC1 ZINC000180382569 547096146 /nfs/dbraw/zinc/09/61/46/547096146.db2.gz FTTAKHNJTSQZHJ-QGZVFWFLSA-N 1 0 353.466 2.426 20 30 FEEDRO C[C@@H](NC(=O)C(=O)Nc1ccc(F)c(C#N)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000180414787 547105328 /nfs/dbraw/zinc/10/53/28/547105328.db2.gz UUMMTTZARKIJRD-KGLIPLIRSA-N 1 0 372.444 2.405 20 30 FEEDRO C=CCCC[C@H](C)NC(=O)C(=O)Nc1ccc(OC2CC[NH+](C)CC2)nc1 ZINC000180931251 547212970 /nfs/dbraw/zinc/21/29/70/547212970.db2.gz ULQVMYLJDMRZSA-HNNXBMFYSA-N 1 0 374.485 2.354 20 30 FEEDRO C=CCc1ccccc1OC[C@H](O)C[N@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000483369676 561275048 /nfs/dbraw/zinc/27/50/48/561275048.db2.gz DWBWIURBXNSWTN-QFUCXCTJSA-N 1 0 361.482 2.425 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)NCCCc2nc(-c3ccc(F)cc3)no2)CC1 ZINC000181624773 547347168 /nfs/dbraw/zinc/34/71/68/547347168.db2.gz GICYIPHBVMYQKG-UHFFFAOYSA-N 1 0 370.428 2.270 20 30 FEEDRO CC(=O)N1CCC(C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CC1 ZINC000181711401 547364879 /nfs/dbraw/zinc/36/48/79/547364879.db2.gz CLAFEGVMUJBPPD-UHFFFAOYSA-N 1 0 354.498 2.371 20 30 FEEDRO C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@@H](C)c1cccc(S(=O)(=O)NC)c1 ZINC000181938849 547409748 /nfs/dbraw/zinc/40/97/48/547409748.db2.gz MDPYIQRUIRGENF-GJZGRUSLSA-N 1 0 367.515 2.058 20 30 FEEDRO CC1(C)[C@H]([NH2+]CCNC(=O)C2N=CC=CC2=O)C[C@H]1OCc1ccccc1 ZINC000182363042 547479330 /nfs/dbraw/zinc/47/93/30/547479330.db2.gz SYSGKVAMMKKQCN-CIZKTZFGSA-N 1 0 369.465 2.486 20 30 FEEDRO COCCOC[C@@H]1CC[N@@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000182814596 547555711 /nfs/dbraw/zinc/55/57/11/547555711.db2.gz IQRAJTQMQLLJCZ-IEBWSBKVSA-N 1 0 357.454 2.039 20 30 FEEDRO Cn1cc([C@H]2CSCCN2CCC(=O)Nc2cccc(C#N)c2)cn1 ZINC000484791295 561306116 /nfs/dbraw/zinc/30/61/16/561306116.db2.gz BPQNPYFGHADQQZ-QGZVFWFLSA-N 1 0 355.467 2.410 20 30 FEEDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2cnn(-c3ncccc3C#N)c2)C1 ZINC000184625660 547856526 /nfs/dbraw/zinc/85/65/26/547856526.db2.gz AFRJTQARRBBXPR-HNNXBMFYSA-N 1 0 367.457 2.335 20 30 FEEDRO C=C(C)[C@H](NC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1)c1ccc(F)c(F)c1 ZINC000184853457 547887124 /nfs/dbraw/zinc/88/71/24/547887124.db2.gz IMRTYYUJGQKBFP-KDOFPFPSSA-N 1 0 365.424 2.108 20 30 FEEDRO C=CCSc1ccccc1C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000485463144 561319680 /nfs/dbraw/zinc/31/96/80/561319680.db2.gz GZZVBCFONUPBOZ-HNNXBMFYSA-N 1 0 361.511 2.282 20 30 FEEDRO CCOCCCNC(=[NH2+])NCc1ccc(C)nc1-n1cc(Cl)cn1 ZINC000189058671 548294393 /nfs/dbraw/zinc/29/43/93/548294393.db2.gz YUKKLWLFSPLUIZ-UHFFFAOYSA-N 1 0 350.854 2.060 20 30 FEEDRO COCCO[C@H]1CC[N@@H+]([C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1 ZINC000189659405 548307168 /nfs/dbraw/zinc/30/71/68/548307168.db2.gz LZYRYQFDOCYBPO-VIHIWDAPSA-N 1 0 351.491 2.043 20 30 FEEDRO C=CCSc1ccccc1NC(=O)C[N@@H+](C)CC1(O)CCOCC1 ZINC000189761448 548311555 /nfs/dbraw/zinc/31/15/55/548311555.db2.gz FBINXGAXERNBHY-UHFFFAOYSA-N 1 0 350.484 2.377 20 30 FEEDRO COC(=O)[C@@](C)(C[NH2+][C@@H](C)C(=O)NC1(C#N)CCCCC1)c1ccccc1 ZINC000189947169 548314295 /nfs/dbraw/zinc/31/42/95/548314295.db2.gz COGQYQFNTKGHDX-JXFKEZNVSA-N 1 0 371.481 2.438 20 30 FEEDRO CCCN(CCC[NH+](C)C)C(=O)C(=O)Nc1ccccc1O[C@@H](C)C#N ZINC000190163287 548318715 /nfs/dbraw/zinc/31/87/15/548318715.db2.gz QRLWYWULBSLABI-HNNXBMFYSA-N 1 0 360.458 2.106 20 30 FEEDRO N#CCCN(CCC#N)C(=O)C[NH2+][C@@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000192128850 548358196 /nfs/dbraw/zinc/35/81/96/548358196.db2.gz VNMBTJHNDZVDJF-AEFFLSMTSA-N 1 0 362.380 2.040 20 30 FEEDRO C[C@@H]1CCC[C@@H](NC(=O)CN2CCN(CC#Cc3ccccc3)CC2)C1 ZINC000192103087 548359012 /nfs/dbraw/zinc/35/90/12/548359012.db2.gz IJDGRYUSPJZRSI-TZIWHRDSSA-N 1 0 353.510 2.351 20 30 FEEDRO O=C(NCC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)C1N=CC=CC1=O ZINC000192996512 548378133 /nfs/dbraw/zinc/37/81/33/548378133.db2.gz UTXRSHHJOGHPCZ-DVEDPGPFSA-N 1 0 356.382 2.088 20 30 FEEDRO Cc1cc(N(CCC#N)C(=O)C[NH2+][C@H]2C(=O)NCC[C@H]2C)ccc1Cl ZINC000193621719 548392186 /nfs/dbraw/zinc/39/21/86/548392186.db2.gz OEFIQQGGGYDFLB-SJKOYZFVSA-N 1 0 362.861 2.009 20 30 FEEDRO C=CCc1cc(CNC(=O)C[C@H]2CSCC[NH2+]2)cc(OC)c1OC ZINC000237343667 548819470 /nfs/dbraw/zinc/81/94/70/548819470.db2.gz IZQLAHDDQFBEEA-HNNXBMFYSA-N 1 0 350.484 2.144 20 30 FEEDRO COc1ccc(C[NH2+]CCc2nnc3n2CCC3)cc1OCCCC#N ZINC000237398192 548823102 /nfs/dbraw/zinc/82/31/02/548823102.db2.gz WGTRLYVVBGMZOB-UHFFFAOYSA-N 1 0 355.442 2.248 20 30 FEEDRO C=CCN1C(=S)N=NC1c1sc(NC(=O)[C@@H]2CC[C@@H]([NH3+])C2)nc1C ZINC000237669953 548844005 /nfs/dbraw/zinc/84/40/05/548844005.db2.gz ZOBJSKPNVNYJHT-NXEZZACHSA-N 1 0 364.500 2.251 20 30 FEEDRO C=CCCCCC[NH+]1CCN(c2ccccc2S(=O)(=O)NC)CC1 ZINC000487913665 561378671 /nfs/dbraw/zinc/37/86/71/561378671.db2.gz SLRCTCJWOVYTKZ-UHFFFAOYSA-N 1 0 351.516 2.463 20 30 FEEDRO C[C@H](C(=O)Nc1ccccc1C#N)N1CC[C@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000245583214 548951514 /nfs/dbraw/zinc/95/15/14/548951514.db2.gz DDMFEKWVWDWQCO-ALKREAHSSA-N 1 0 366.465 2.361 20 30 FEEDRO C[C@@H]1CC[N@H+](CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)C[C@H]1C ZINC000245858531 549004836 /nfs/dbraw/zinc/00/48/36/549004836.db2.gz HLLOZHPIVFFRJQ-ZACQAIPSSA-N 1 0 360.527 2.435 20 30 FEEDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)Nc1cc(C#N)ccc1Cl ZINC000246172970 549068715 /nfs/dbraw/zinc/06/87/15/549068715.db2.gz FUGRKASNJJSLIM-STQMWFEESA-N 1 0 362.861 2.387 20 30 FEEDRO CC(C)(C)C(=O)NC[C@@H]1CCC[N@H+](C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000247150873 549291871 /nfs/dbraw/zinc/29/18/71/549291871.db2.gz YNMKKMVGSXCYPG-ZWKOTPCHSA-N 1 0 373.497 2.172 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)NCCCc2nnc3ccccn32)CC1 ZINC000489182240 561405223 /nfs/dbraw/zinc/40/52/23/561405223.db2.gz KIPUDLJOOCDSLW-UHFFFAOYSA-N 1 0 356.474 2.002 20 30 FEEDRO C[C@H](CNC(=O)Nc1cnn(-c2ncccc2C#N)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000248393382 549426810 /nfs/dbraw/zinc/42/68/10/549426810.db2.gz LPXCNJZAQVVRME-HUUCEWRRSA-N 1 0 367.457 2.381 20 30 FEEDRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NS(=O)(=O)CC1(C#N)CC1 ZINC000248633607 549472546 /nfs/dbraw/zinc/47/25/46/549472546.db2.gz IYKHRSCMNBZQKQ-VQFNDLOPSA-N 1 0 361.511 2.366 20 30 FEEDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000248691965 549485508 /nfs/dbraw/zinc/48/55/08/549485508.db2.gz ZCLOGPYCKKKTMX-CABCVRRESA-N 1 0 373.501 2.290 20 30 FEEDRO C=C[C@H]1CCCC[N@@H+]1CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 ZINC000489473864 561412339 /nfs/dbraw/zinc/41/23/39/561412339.db2.gz JWGHXSVLLJFGII-IRXDYDNUSA-N 1 0 358.511 2.497 20 30 FEEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccccc2O[C@H](C)C#N)[C@@H](C)C1 ZINC000249145279 549560890 /nfs/dbraw/zinc/56/08/90/549560890.db2.gz GETBNAQNIWWEIX-UXLLHSPISA-N 1 0 372.469 2.105 20 30 FEEDRO C[NH+]=C(NCc1nnc2n1CCCCC2)N(C)Cc1cc(Cl)cn1C ZINC000261671262 549741398 /nfs/dbraw/zinc/74/13/98/549741398.db2.gz BZMLOLWGDJZUFY-UHFFFAOYSA-N 1 0 363.897 2.204 20 30 FEEDRO C[NH+]=C(NCCn1cc([N+](=O)[O-])cn1)N[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000261934132 549771366 /nfs/dbraw/zinc/77/13/66/549771366.db2.gz CAPDYUNMNKVVHA-OAHLLOKOSA-N 1 0 372.429 2.259 20 30 FEEDRO CC[NH+]=C(NCc1cn2c(n1)CCCC2)N1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000262019206 549780608 /nfs/dbraw/zinc/78/06/08/549780608.db2.gz YKXNLEIFIGIBEE-SJLPKXTDSA-N 1 0 369.517 2.465 20 30 FEEDRO CC1(c2ccccc2)CC(NC(=[NH2+])N2CCN(c3ncccn3)CC2)C1 ZINC000262252217 549803175 /nfs/dbraw/zinc/80/31/75/549803175.db2.gz ZKNVBGKJLWCVPZ-UHFFFAOYSA-N 1 0 350.470 2.034 20 30 FEEDRO CN1CCN(c2ncccc2CNC(=[NH2+])Nc2cc(F)ccc2F)CC1 ZINC000262297944 549807856 /nfs/dbraw/zinc/80/78/56/549807856.db2.gz PJBPCPXPPHBZOZ-UHFFFAOYSA-N 1 0 360.412 2.038 20 30 FEEDRO Cc1occc1CN(C)C(NC[C@H]1CCS(=O)(=O)C1)=[NH+]C1CCCC1 ZINC000262388100 549816078 /nfs/dbraw/zinc/81/60/78/549816078.db2.gz LQEOKEWUUQNEAQ-OAHLLOKOSA-N 1 0 367.515 2.343 20 30 FEEDRO CN1CC[NH+]=C1NCC1(c2ccc(Br)cc2)CCOCC1 ZINC000262476832 549822993 /nfs/dbraw/zinc/82/29/93/549822993.db2.gz CEHPZBJNQZRVPQ-UHFFFAOYSA-N 1 0 352.276 2.388 20 30 FEEDRO NS(=O)(=O)c1ccc(CCNC(=[NH2+])Nc2cccc3c2CCCC3)cc1 ZINC000262485682 549823485 /nfs/dbraw/zinc/82/34/85/549823485.db2.gz SMFGGUZZEREXJY-UHFFFAOYSA-N 1 0 372.494 2.182 20 30 FEEDRO C[NH+]=C(NCc1sc(C)nc1C)N[C@@H]1CCC[C@@H](C(=O)N(C)C)C1 ZINC000262612717 549832239 /nfs/dbraw/zinc/83/22/39/549832239.db2.gz AZFZVPBOHJXHNV-ZIAGYGMSSA-N 1 0 351.520 2.072 20 30 FEEDRO C=CCc1ccccc1OC[C@H](O)C[N@H+]1C[C@@H](CC)[C@H](N2CCOCC2)C1 ZINC000490415571 561432609 /nfs/dbraw/zinc/43/26/09/561432609.db2.gz KGNCRKPHAGZDPA-HMXCVIKNSA-N 1 0 374.525 2.197 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc1C(F)(F)F ZINC000262763629 549847057 /nfs/dbraw/zinc/84/70/57/549847057.db2.gz STVUQYXLWQVCFJ-NEPJUHHUSA-N 1 0 359.373 2.092 20 30 FEEDRO Cc1nnc2n1C[C@H](CNC(=[NH2+])Nc1ccccc1OC(F)(F)F)CC2 ZINC000262844934 549855029 /nfs/dbraw/zinc/85/50/29/549855029.db2.gz VJPHTWVKNGJFBC-NSHDSACASA-N 1 0 368.363 2.474 20 30 FEEDRO Cc1nnc2n1C[C@@H](CNC(=[NH2+])Nc1ccccc1OC(F)(F)F)CC2 ZINC000262844933 549855058 /nfs/dbraw/zinc/85/50/58/549855058.db2.gz VJPHTWVKNGJFBC-LLVKDONJSA-N 1 0 368.363 2.474 20 30 FEEDRO N#Cc1ccc(NC(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)c(Cl)c1 ZINC000490523006 561434501 /nfs/dbraw/zinc/43/45/01/561434501.db2.gz WUCMVDZBAWWILF-AWEZNQCLSA-N 1 0 360.845 2.094 20 30 FEEDRO C[C@H](C(=O)N(C)CCC#N)[NH+]1CCC(c2nc(-c3ccccc3)n[nH]2)CC1 ZINC000263893846 549952094 /nfs/dbraw/zinc/95/20/94/549952094.db2.gz VMUPPIJYQUPPMQ-OAHLLOKOSA-N 1 0 366.469 2.412 20 30 FEEDRO C[NH+]=C(NCc1ccco1)NCc1cccc(CN2CCO[C@H](C)C2)c1 ZINC000264040318 549971285 /nfs/dbraw/zinc/97/12/85/549971285.db2.gz IIMIPRPEBUMDIR-MRXNPFEDSA-N 1 0 356.470 2.366 20 30 FEEDRO COCCOc1ccccc1CNC(=[NH2+])NCCc1ccc(OC)cc1 ZINC000264077322 549976277 /nfs/dbraw/zinc/97/62/77/549976277.db2.gz GGAIBDOBCSBQSH-UHFFFAOYSA-N 1 0 357.454 2.367 20 30 FEEDRO COc1ccc(OC)c(CNC(=[NH2+])NCCc2ccc(OC)c(OC)c2)c1 ZINC000264080740 549976934 /nfs/dbraw/zinc/97/69/34/549976934.db2.gz IJOYKTLEFHWIRV-UHFFFAOYSA-N 1 0 373.453 2.368 20 30 FEEDRO Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NCC[N@@H+](C)C1CCCC1 ZINC000264199531 549991739 /nfs/dbraw/zinc/99/17/39/549991739.db2.gz QPPLFMHQAWTPIG-UHFFFAOYSA-N 1 0 368.485 2.141 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N2CCC(Oc3cccc(C#N)c3)CC2)CC1 ZINC000264204267 549992645 /nfs/dbraw/zinc/99/26/45/549992645.db2.gz HYTYLTUNLMQHSC-UHFFFAOYSA-N 1 0 351.450 2.273 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)nc2)CC1 ZINC000264323469 549994280 /nfs/dbraw/zinc/99/42/80/549994280.db2.gz BKUQTMIICLWCLZ-HZPDHXFCSA-N 1 0 373.501 2.467 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cccc(CS(C)(=O)=O)c2)CC1 ZINC000264400225 549995177 /nfs/dbraw/zinc/99/51/77/549995177.db2.gz OYVAAWVGSPWZDD-UHFFFAOYSA-N 1 0 365.499 2.393 20 30 FEEDRO CC(C)C[N@@H+](CC(=O)N(CCC#N)CCC#N)C[C@@H](O)c1ccc(F)cc1 ZINC000265452376 550009960 /nfs/dbraw/zinc/00/99/60/550009960.db2.gz UJMLNDHOQGXALN-LJQANCHMSA-N 1 0 374.460 2.473 20 30 FEEDRO N#CCOc1ccc(C[NH+]2CCN(c3ccc(C(N)=O)cc3)CC2)cc1 ZINC000265467494 550010281 /nfs/dbraw/zinc/01/02/81/550010281.db2.gz ZYLCHDFNTPXMKB-UHFFFAOYSA-N 1 0 350.422 2.010 20 30 FEEDRO CCc1nc(CN(C(C)=O)[C@H]2CC[N@H+](Cc3cccc(C#N)c3)C2)no1 ZINC000266084791 550016751 /nfs/dbraw/zinc/01/67/51/550016751.db2.gz GURMUEAZKPEJDY-KRWDZBQOSA-N 1 0 353.426 2.127 20 30 FEEDRO C=CCc1ccc(OC[C@@H](O)CN2CC[C@@H](C[N@@H+](C)CC)C2)c(OC)c1 ZINC000266642813 550022623 /nfs/dbraw/zinc/02/26/23/550022623.db2.gz UZHGNWOWFILPEC-OALUTQOASA-N 1 0 362.514 2.437 20 30 FEEDRO COc1cc(OC)cc(N2CC[C@H]([N@H+](C)CCCSCC#N)C2=O)c1 ZINC000267108700 550027868 /nfs/dbraw/zinc/02/78/68/550027868.db2.gz WVFRSYNDSQLEJY-KRWDZBQOSA-N 1 0 363.483 2.388 20 30 FEEDRO CN(C)c1ccc(C[N@H+](CC(=O)N(CCC#N)CCC#N)C2CC2)cc1 ZINC000268323669 550049512 /nfs/dbraw/zinc/04/95/12/550049512.db2.gz GOLNPFMKHNADRT-UHFFFAOYSA-N 1 0 353.470 2.373 20 30 FEEDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000268809147 550118814 /nfs/dbraw/zinc/11/88/14/550118814.db2.gz STEZIJGSFUBSOT-HZMBPMFUSA-N 1 0 373.400 2.338 20 30 FEEDRO CC(C)C[C@H](CNC(=O)C(=O)Nc1ccc(C#N)cc1Cl)[NH+](C)C ZINC000269098239 550154095 /nfs/dbraw/zinc/15/40/95/550154095.db2.gz MZHASGGLNVQLQL-CYBMUJFWSA-N 1 0 350.850 2.243 20 30 FEEDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)Nc3ccc(C#N)cc3Cl)CC[C@H]21 ZINC000269121037 550157252 /nfs/dbraw/zinc/15/72/52/550157252.db2.gz SGBHYZVDKGIEHO-CZUORRHYSA-N 1 0 360.845 2.093 20 30 FEEDRO CCOc1ccc(C#N)cc1NC(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000269228622 550169943 /nfs/dbraw/zinc/16/99/43/550169943.db2.gz XGSNNDIRSZALKB-QZTJIDSGSA-N 1 0 372.469 2.456 20 30 FEEDRO C#CCN(Cc1ccc(F)cc1)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000269245691 550171951 /nfs/dbraw/zinc/17/19/51/550171951.db2.gz IKCCTSAJQNQAFE-PMACEKPBSA-N 1 0 373.472 2.348 20 30 FEEDRO CN(Cc1cccc(C#N)c1)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000269356581 550185064 /nfs/dbraw/zinc/18/50/64/550185064.db2.gz STZFYPBBRJOABW-RTBURBONSA-N 1 0 356.470 2.077 20 30 FEEDRO C=CCOc1ccc(C(=O)Nc2ccc(=O)n(CC[NH+](C)C)c2)cc1OC ZINC000270054499 550246118 /nfs/dbraw/zinc/24/61/18/550246118.db2.gz CYIQFILOGLYAKH-UHFFFAOYSA-N 1 0 371.437 2.236 20 30 FEEDRO C[N@H+](CCCO)C1CCN(C(=O)CCCCOc2cccc(C#N)c2)CC1 ZINC000270337081 550262929 /nfs/dbraw/zinc/26/29/29/550262929.db2.gz AUCUIHDDPPXIKZ-UHFFFAOYSA-N 1 0 373.497 2.413 20 30 FEEDRO C=CCOc1c(Br)cc(C[N@@H+](CCO)CCOC)cc1OC ZINC000271138824 550344503 /nfs/dbraw/zinc/34/45/03/550344503.db2.gz BJBDTSQDAZSXEV-UHFFFAOYSA-N 1 0 374.275 2.463 20 30 FEEDRO CN(CCC#N)c1ccc(C[N@H+](CCO)CCOCC(F)(F)F)cc1 ZINC000271163600 550347306 /nfs/dbraw/zinc/34/73/06/550347306.db2.gz GQRUTBNWDOMEKL-UHFFFAOYSA-N 1 0 359.392 2.410 20 30 FEEDRO CC(C)([NH2+]CC(=O)NCc1ccc(C#N)cc1)C(=O)NCC1CCCCC1 ZINC000271245383 550357502 /nfs/dbraw/zinc/35/75/02/550357502.db2.gz QIDBTENKXXTDOI-UHFFFAOYSA-N 1 0 370.497 2.239 20 30 FEEDRO C[C@H]1OCC[C@@]1(C)[NH2+]CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000494207094 561464655 /nfs/dbraw/zinc/46/46/55/561464655.db2.gz BAQGDFBKZMNLOD-CXAGYDPISA-N 1 0 354.372 2.330 20 30 FEEDRO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CCNC(=O)C1N=CC=CC1=O ZINC000271536731 550383506 /nfs/dbraw/zinc/38/35/06/550383506.db2.gz XVEGPOCGDFYMBS-HTXRYDERSA-N 1 0 368.481 2.013 20 30 FEEDRO C#CCC[NH+]1CCN(Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])CC1 ZINC000271999982 550415263 /nfs/dbraw/zinc/41/52/63/550415263.db2.gz HGJHHNRBMHNCIB-UHFFFAOYSA-N 1 0 369.368 2.346 20 30 FEEDRO C=C(C)COc1cccc(NC(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)c1 ZINC000272361858 550441001 /nfs/dbraw/zinc/44/10/01/550441001.db2.gz SGZFUWCDVGSGKK-QAPCUYQASA-N 1 0 357.454 2.133 20 30 FEEDRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N(CCC#N)CC(C)(C)C)CC1=O ZINC000494411532 561469197 /nfs/dbraw/zinc/46/91/97/561469197.db2.gz BVMKSDAMIVYFQF-IAGOWNOFSA-N 1 0 362.518 2.108 20 30 FEEDRO CC1(C#N)CC[NH+](CCC(=O)N2CCN(c3ccc(F)cc3)CC2)CC1 ZINC000272631859 550461870 /nfs/dbraw/zinc/46/18/70/550461870.db2.gz WHSCSAOWCYUYJD-UHFFFAOYSA-N 1 0 358.461 2.490 20 30 FEEDRO C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000272639327 550462166 /nfs/dbraw/zinc/46/21/66/550462166.db2.gz ZXLMSSMHYSSMAA-HOTGVXAUSA-N 1 0 370.453 2.003 20 30 FEEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH2+][C@H]1CCO[C@H]1C1CC1 ZINC000494487296 561470562 /nfs/dbraw/zinc/47/05/62/561470562.db2.gz QLAUWXMQQDDHBS-HKUYNNGSSA-N 1 0 374.485 2.109 20 30 FEEDRO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[NH2+][C@H](C)c1cnn(C)c1 ZINC000273439752 550498475 /nfs/dbraw/zinc/49/84/75/550498475.db2.gz ZFYONFQHUVLREY-HUUCEWRRSA-N 1 0 355.442 2.415 20 30 FEEDRO N#CC1(CS(=O)(=O)N2CCC([N@@H+]3CCc4ccccc4C3)CC2)CC1 ZINC000274160217 550525808 /nfs/dbraw/zinc/52/58/08/550525808.db2.gz FKTYXXZYTHNWQJ-UHFFFAOYSA-N 1 0 359.495 2.143 20 30 FEEDRO N#Cc1ccc(CN2C(=O)N[C@]3(CC[N@H+](Cc4ccccc4)C3)C2=O)cc1 ZINC000274351513 550533947 /nfs/dbraw/zinc/53/39/47/550533947.db2.gz SKNCUHRVTOIERV-NRFANRHFSA-N 1 0 360.417 2.255 20 30 FEEDRO CC#CCCCC(=O)N1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000274384515 550535523 /nfs/dbraw/zinc/53/55/23/550535523.db2.gz ZZQDHCXMXGOMTJ-UHFFFAOYSA-N 1 0 357.498 2.469 20 30 FEEDRO C#CCOc1ccccc1NC(=O)C(=O)NCCCCCCC[NH+](C)C ZINC000274708581 550550441 /nfs/dbraw/zinc/55/04/41/550550441.db2.gz SKNCVJCOPDMQLB-UHFFFAOYSA-N 1 0 359.470 2.265 20 30 FEEDRO CS[C@@H]1CN(S(=O)(=O)c2cc(C#N)ccc2C)C[C@@H]1[NH+]1CCCC1 ZINC000274851369 550559706 /nfs/dbraw/zinc/55/97/06/550559706.db2.gz UKPGZROMKLSHDB-JKSUJKDBSA-N 1 0 365.524 2.067 20 30 FEEDRO C[NH+](C)CCc1ccc(NC(=O)C(=O)N(CCC#N)Cc2ccco2)cc1 ZINC000275492657 550572680 /nfs/dbraw/zinc/57/26/80/550572680.db2.gz BICVBJKRKJZGNI-UHFFFAOYSA-N 1 0 368.437 2.265 20 30 FEEDRO C=CCc1ccc(OC[C@@H](O)C[N@@H+](C)CCOCCOCC)c(OC)c1 ZINC000276310898 550577747 /nfs/dbraw/zinc/57/77/47/550577747.db2.gz XFBFLOASWWTQNO-SFHVURJKSA-N 1 0 367.486 2.148 20 30 FEEDRO CC(C)(CNC(=O)C(=O)Nc1cc(C#N)ccc1Cl)C[NH+]1CCCC1 ZINC000276818861 550599503 /nfs/dbraw/zinc/59/95/03/550599503.db2.gz UVEXMGDFTWLOBE-UHFFFAOYSA-N 1 0 362.861 2.388 20 30 FEEDRO N#Cc1ncccc1S(=O)(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000277096344 550631752 /nfs/dbraw/zinc/63/17/52/550631752.db2.gz WCQQSOVDJVHOMK-UHFFFAOYSA-N 1 0 356.451 2.028 20 30 FEEDRO COc1ccc(CCNC(=[NH2+])NCCOCC(F)(F)C(F)F)cc1 ZINC000277501552 550678081 /nfs/dbraw/zinc/67/80/81/550678081.db2.gz MNHJAMIOIFMXGP-UHFFFAOYSA-N 1 0 351.344 2.059 20 30 FEEDRO N#C[C@@H]1CC[C@H]([NH+]2CCC(NS(=O)(=O)c3ccc(F)cc3)CC2)C1 ZINC000278618867 550804795 /nfs/dbraw/zinc/80/47/95/550804795.db2.gz NEPTYODKYQASOJ-CJNGLKHVSA-N 1 0 351.447 2.261 20 30 FEEDRO N#Cc1cccc(-c2cc(C(=O)NCCCC[NH+]3CCOCC3)on2)c1 ZINC000278990725 550843934 /nfs/dbraw/zinc/84/39/34/550843934.db2.gz KMZJCFSVQQGMFL-UHFFFAOYSA-N 1 0 354.410 2.055 20 30 FEEDRO COC[C@H]([NH2+]CC(=O)N(CCC#N)c1cc(C)cc(C)c1)[C@H]1CCCO1 ZINC000279108164 550854997 /nfs/dbraw/zinc/85/49/97/550854997.db2.gz RZEPUJFFPLMEOY-RBUKOAKNSA-N 1 0 359.470 2.334 20 30 FEEDRO N#Cc1ccc(NC(=O)C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000279634981 550910815 /nfs/dbraw/zinc/91/08/15/550910815.db2.gz PTRCPOGYEAYFFY-KDURUIRLSA-N 1 0 374.444 2.087 20 30 FEEDRO CC(=O)N1CCC[C@H](C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000279765874 550926686 /nfs/dbraw/zinc/92/66/86/550926686.db2.gz JQZIDQWBOCJLGL-QGZVFWFLSA-N 1 0 351.454 2.307 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1nnc2ccccc2n1 ZINC000280933946 551047067 /nfs/dbraw/zinc/04/70/67/551047067.db2.gz KSMFUUZISYJIOM-UHFFFAOYSA-N 1 0 360.421 2.100 20 30 FEEDRO COc1ccc([C@@H](C)[C@H](C)[NH2+]CCNC(=O)C2N=CC=CC2=O)cc1OC ZINC000280941164 551047674 /nfs/dbraw/zinc/04/76/74/551047674.db2.gz QVVAQDYDIZULQJ-YJFMBZAYSA-N 1 0 373.453 2.312 20 30 FEEDRO COc1cc(C#N)ccc1OCC[NH2+][C@]1(CO)CCOc2ccccc21 ZINC000281655539 551126351 /nfs/dbraw/zinc/12/63/51/551126351.db2.gz KJMHPWZJHMKSBU-FQEVSTJZSA-N 1 0 354.406 2.206 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000281959062 551162652 /nfs/dbraw/zinc/16/26/52/551162652.db2.gz YMZXBLMXRMAJQQ-MJGOQNOKSA-N 1 0 358.486 2.326 20 30 FEEDRO C[NH+](C)CCc1ccccc1NC(=O)C(=O)NCC1CCC(C#N)CC1 ZINC000282026588 551171195 /nfs/dbraw/zinc/17/11/95/551171195.db2.gz OTMVXFMDLMSOKA-UHFFFAOYSA-N 1 0 356.470 2.175 20 30 FEEDRO C=CCn1c(-c2cccn2C)nnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000282131995 551184954 /nfs/dbraw/zinc/18/49/54/551184954.db2.gz AUGAIZZAHAPSEE-KRWDZBQOSA-N 1 0 370.501 2.018 20 30 FEEDRO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](CNC(=O)C(C)(C)C)C1 ZINC000497405052 561500175 /nfs/dbraw/zinc/50/01/75/561500175.db2.gz FMYWYCYPAFBBAG-GUXCAODWSA-N 1 0 364.534 2.304 20 30 FEEDRO COCCC[C@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1ccc(F)cc1 ZINC000282302104 551208945 /nfs/dbraw/zinc/20/89/45/551208945.db2.gz MJJVWZHCYKQOAV-NXDJFEHLSA-N 1 0 361.417 2.409 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N2CCC[C@H](c3ncc4n3CCCC4)C2)CC1 ZINC000282504849 551238501 /nfs/dbraw/zinc/23/85/01/551238501.db2.gz ZEEIEAQHYSJAQL-SFHVURJKSA-N 1 0 354.498 2.271 20 30 FEEDRO C=CCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000282671120 551258036 /nfs/dbraw/zinc/25/80/36/551258036.db2.gz RWPVWDSRXNRUFK-GOSISDBHSA-N 1 0 371.533 2.494 20 30 FEEDRO C=CCS(=O)(=O)CC[NH2+][C@H]1CC[C@@H](C(=O)OCC)c2ccccc21 ZINC000282685078 551259705 /nfs/dbraw/zinc/25/97/05/551259705.db2.gz AHVUKAHJOSJAHS-SJORKVTESA-N 1 0 351.468 2.359 20 30 FEEDRO C[C@@H]([NH2+]C(C)(C)CNS(=O)(=O)N(C)[C@@H](C)CC#N)c1ccccc1 ZINC000283124819 551315820 /nfs/dbraw/zinc/31/58/20/551315820.db2.gz ZGENXXJWCZAPJB-LSDHHAIUSA-N 1 0 352.504 2.184 20 30 FEEDRO CC(C)[N@H+](C)CCCNC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 ZINC000497758414 561508271 /nfs/dbraw/zinc/50/82/71/561508271.db2.gz QMEQRYNJDDPYLY-UHFFFAOYSA-N 1 0 365.499 2.224 20 30 FEEDRO C[C@@H](NC(=O)C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccc(C#N)cc1 ZINC000283531154 551382792 /nfs/dbraw/zinc/38/27/92/551382792.db2.gz DDYDHGXIUCZUCP-BRWVUGGUSA-N 1 0 370.497 2.220 20 30 FEEDRO C[NH+](C)[C@@H]1CCCN(S(=O)(=O)c2cccc(Br)c2C#N)C1 ZINC000283551270 551386294 /nfs/dbraw/zinc/38/62/94/551386294.db2.gz ODXVAYPDZIBBQK-LLVKDONJSA-N 1 0 372.288 2.035 20 30 FEEDRO N#Cc1ccnc(C(=O)NCCCC[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000283698449 551411804 /nfs/dbraw/zinc/41/18/04/551411804.db2.gz IBRIVRKMCYOECL-UHFFFAOYSA-N 1 0 363.465 2.285 20 30 FEEDRO CC(C)N(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000283803065 551429515 /nfs/dbraw/zinc/42/95/15/551429515.db2.gz AVFGNDMHUXLFHO-RTBURBONSA-N 1 0 368.481 2.038 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N(CC)Cc1ccccn1)C(C)C ZINC000284057654 551476138 /nfs/dbraw/zinc/47/61/38/551476138.db2.gz NCIRVHKTKSSLMC-IBGZPJMESA-N 1 0 372.513 2.245 20 30 FEEDRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)C(=O)NCc2cccc(C#N)c2)C1 ZINC000284164449 551496225 /nfs/dbraw/zinc/49/62/25/551496225.db2.gz YHYLPCZMSJXVHH-IYBDPMFKSA-N 1 0 370.497 2.047 20 30 FEEDRO CCCc1cc[n+](C(C(=O)c2cnn(C)n2)C(=S)N[C@H](C)CC)cc1 ZINC000284486948 551560185 /nfs/dbraw/zinc/56/01/85/551560185.db2.gz SEMSMLPVEIREHT-CYBMUJFWSA-O 1 0 360.507 2.382 20 30 FEEDRO Cn1ncc(C(=O)C(C(=S)NC2(C)CC2)[n+]2ccc(C(C)(C)C)cc2)n1 ZINC000284547494 551574703 /nfs/dbraw/zinc/57/47/03/551574703.db2.gz VVFXKENLTPOBFJ-UHFFFAOYSA-O 1 0 372.518 2.481 20 30 FEEDRO N#CCCCCNC(=O)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000284615960 551591243 /nfs/dbraw/zinc/59/12/43/551591243.db2.gz HUDRNPUXZRWXPZ-UHFFFAOYSA-N 1 0 356.470 2.099 20 30 FEEDRO C[N@@H+]1CCN(CC(=O)NCc2ccc(C#N)cc2)C[C@H]1Cc1ccccc1 ZINC000284927226 551669494 /nfs/dbraw/zinc/66/94/94/551669494.db2.gz YCLIZPRTVVMSHG-OAQYLSRUSA-N 1 0 362.477 2.033 20 30 FEEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000285143786 551710468 /nfs/dbraw/zinc/71/04/68/551710468.db2.gz YVDXRNMSMWKNJR-UHFFFAOYSA-N 1 0 368.481 2.062 20 30 FEEDRO C=CCCCNC(=O)C(=O)NCc1ccc(OCC[NH+](CC)CC)cc1 ZINC000285144829 551710937 /nfs/dbraw/zinc/71/09/37/551710937.db2.gz XFLYZHQAPZIDQY-UHFFFAOYSA-N 1 0 361.486 2.106 20 30 FEEDRO C=CCN(CCc1ccco1)C(=O)C(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000285277685 551730859 /nfs/dbraw/zinc/73/08/59/551730859.db2.gz ZTOOYEOVKFUYQZ-DLBZAZTESA-N 1 0 361.486 2.073 20 30 FEEDRO C[NH+](C)C[C@@H]1CCN(C(=O)C2CCN(c3ccc(C#N)cc3F)CC2)C1 ZINC000285482917 551763583 /nfs/dbraw/zinc/76/35/83/551763583.db2.gz LKWHRJHGQZIJSD-INIZCTEOSA-N 1 0 358.461 2.324 20 30 FEEDRO COC[C@](C)(C#N)NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC000285589365 551779411 /nfs/dbraw/zinc/77/94/11/551779411.db2.gz HSSKIPZLSVVWPJ-WBVHZDCISA-N 1 0 351.397 2.189 20 30 FEEDRO C=CCOc1ccccc1CNC(=O)C(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000285934367 551828975 /nfs/dbraw/zinc/82/89/75/551828975.db2.gz ONXJMUYGFOWASA-QGZVFWFLSA-N 1 0 373.497 2.104 20 30 FEEDRO Cn1nccc1[C@H]1[C@H](CNC(=O)c2ccc(F)c(C#N)c2)CCC[N@@H+]1C ZINC000286116862 551850482 /nfs/dbraw/zinc/85/04/82/551850482.db2.gz LZGGTBAZWJDEKB-KBXCAEBGSA-N 1 0 355.417 2.244 20 30 FEEDRO N#Cc1c(N2CCC(C[NH+]3CCOCC3)CC2)nc2cc(Cl)ccn12 ZINC000286173896 551857305 /nfs/dbraw/zinc/85/73/05/551857305.db2.gz DALNPMVMRMBWEE-UHFFFAOYSA-N 1 0 359.861 2.408 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N2CCCCC[C@@H]2c2ccncc2)CC1 ZINC000286475507 551890333 /nfs/dbraw/zinc/89/03/33/551890333.db2.gz IVNPONVTSXUHHP-LJQANCHMSA-N 1 0 370.497 2.292 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H](CC)c2ccc(F)cc2F)CC1 ZINC000286508210 551894160 /nfs/dbraw/zinc/89/41/60/551894160.db2.gz KTYWSDCMWPDTCF-KRWDZBQOSA-N 1 0 365.424 2.299 20 30 FEEDRO CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)[C@H](C)Oc2ccc(C#N)cc2)C1 ZINC000286581762 551902373 /nfs/dbraw/zinc/90/23/73/551902373.db2.gz ZKVICGOOXASFAS-IEZWGBDMSA-N 1 0 357.454 2.037 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N(Cc2ccc(F)cc2)CC2CC2)CC1 ZINC000286818608 551929232 /nfs/dbraw/zinc/92/92/32/551929232.db2.gz WDKZNNWWOLZONP-UHFFFAOYSA-N 1 0 373.472 2.331 20 30 FEEDRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)c2ccnc(C#N)c2)c1 ZINC000287361819 551994479 /nfs/dbraw/zinc/99/44/79/551994479.db2.gz WUNGWQOVOHXOKH-UHFFFAOYSA-N 1 0 351.410 2.486 20 30 FEEDRO C[C@H]1C[C@@H](NS(=O)(=O)c2ccc(C#N)o2)CC[N@@H+]1Cc1ccccc1 ZINC000287660003 552031316 /nfs/dbraw/zinc/03/13/16/552031316.db2.gz CSXAVRCGRYZTQT-HOCLYGCPSA-N 1 0 359.451 2.483 20 30 FEEDRO C=CCOc1ccc(CNC(=O)NCCN2CCC([NH+](C)C)CC2)cc1 ZINC000287661350 552031596 /nfs/dbraw/zinc/03/15/96/552031596.db2.gz IBVGTZOBAMAKJO-UHFFFAOYSA-N 1 0 360.502 2.077 20 30 FEEDRO CC(C)Oc1ccc([C@@H](CNC(=O)N2CCO[C@H](C#N)C2)[NH+](C)C)cc1 ZINC000287881950 552058232 /nfs/dbraw/zinc/05/82/32/552058232.db2.gz FPCUZVHNYLAJDR-QZTJIDSGSA-N 1 0 360.458 2.010 20 30 FEEDRO C[C@H](NC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1)C1=CC[N@H+](C)CC1 ZINC000287994829 552072437 /nfs/dbraw/zinc/07/24/37/552072437.db2.gz VJJPXARAEPIUAV-WMLDXEAASA-N 1 0 356.445 2.290 20 30 FEEDRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C2(C#N)CCOCC2)c1 ZINC000288141038 552098794 /nfs/dbraw/zinc/09/87/94/552098794.db2.gz IYHKRIRAFAQVAC-UHFFFAOYSA-N 1 0 358.442 2.226 20 30 FEEDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000288190058 552107579 /nfs/dbraw/zinc/10/75/79/552107579.db2.gz OVFBIKTWIXLMLO-GDBMZVCRSA-N 1 0 371.485 2.138 20 30 FEEDRO C=CCCN(C)C(=O)C(=O)NC1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000288202984 552110066 /nfs/dbraw/zinc/11/00/66/552110066.db2.gz OIGITDWJWBTANC-IAGOWNOFSA-N 1 0 357.498 2.294 20 30 FEEDRO CC(C)[C@H]([NH2+]CCCC1(C#N)CCOCC1)c1nc(-c2nc[nH]n2)no1 ZINC000499627932 561554931 /nfs/dbraw/zinc/55/49/31/561554931.db2.gz WBRFXLXPWGFYON-ZDUSSCGKSA-N 1 0 359.434 2.242 20 30 FEEDRO C=CCOc1ccc(CNC(=O)N2CC[C@H](N3CC[NH+](CC)CC3)C2)cc1 ZINC000288370486 552142089 /nfs/dbraw/zinc/14/20/89/552142089.db2.gz JEBUAMSYHKKVQM-IBGZPJMESA-N 1 0 372.513 2.173 20 30 FEEDRO Cc1onc(CC(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)c1C#N ZINC000499845104 561559700 /nfs/dbraw/zinc/55/97/00/561559700.db2.gz FSOYDECPXJVKPP-QGZVFWFLSA-N 1 0 352.438 2.078 20 30 FEEDRO C[C@H]1CCC[C@@H]1CNC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000499915655 561561363 /nfs/dbraw/zinc/56/13/63/561561363.db2.gz PHOYLPPEKPUKTG-QFBILLFUSA-N 1 0 370.497 2.001 20 30 FEEDRO C#CC[C@H](Cc1ccccc1)NC(=O)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000289241860 552287336 /nfs/dbraw/zinc/28/73/36/552287336.db2.gz WVYUWMIWKSITHU-LJQANCHMSA-N 1 0 363.461 2.438 20 30 FEEDRO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 ZINC000289432408 552320969 /nfs/dbraw/zinc/32/09/69/552320969.db2.gz SBWRCBNCMDQVQJ-FMEYXAORSA-N 1 0 364.440 2.308 20 30 FEEDRO C=CCn1c(-c2cccn2C)nnc1N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC000289606374 552348892 /nfs/dbraw/zinc/34/88/92/552348892.db2.gz IWTIHPRWNMWMMV-MRXNPFEDSA-N 1 0 370.501 2.159 20 30 FEEDRO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@@H]1N2S(=O)(=O)c1cncc(C#N)c1 ZINC000289648382 552355903 /nfs/dbraw/zinc/35/59/03/552355903.db2.gz GCEGNJHNCXZHOS-MJGOQNOKSA-N 1 0 368.462 2.258 20 30 FEEDRO COc1ccc([C@H]([NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)C2CC2)cc1 ZINC000290078167 552424118 /nfs/dbraw/zinc/42/41/18/552424118.db2.gz WLMYVYACNZRBJA-LJQANCHMSA-N 1 0 371.462 2.476 20 30 FEEDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)C(=O)Nc1ccccc1O[C@@H](C)C#N ZINC000290497741 552488713 /nfs/dbraw/zinc/48/87/13/552488713.db2.gz UJWIWHYYGDWFBD-CABCVRRESA-N 1 0 360.458 2.153 20 30 FEEDRO C[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc(C#N)c(F)c2)[C@H]1c1ccccc1 ZINC000290895130 552557931 /nfs/dbraw/zinc/55/79/31/552557931.db2.gz VGDIMYYGGTXZHV-ZWKOTPCHSA-N 1 0 366.396 2.197 20 30 FEEDRO CC(C)C[NH+]1CCC(NC(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)CC1 ZINC000291639426 552646472 /nfs/dbraw/zinc/64/64/72/552646472.db2.gz JSQFVAMQTFFKBG-GOSISDBHSA-N 1 0 371.485 2.236 20 30 FEEDRO C[NH+](C)C[C@@H]1CCc2ccccc2N1S(=O)(=O)c1ccc(C#N)nc1 ZINC000291792042 552662144 /nfs/dbraw/zinc/66/21/44/552662144.db2.gz AAGGVGGGPNAGGD-INIZCTEOSA-N 1 0 356.451 2.025 20 30 FEEDRO C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)c(F)c2)CC[N@@H+](C2CCC2)C1 ZINC000291826802 552665989 /nfs/dbraw/zinc/66/59/89/552665989.db2.gz FPDRYIUTXKEUHB-ZDUSSCGKSA-N 1 0 351.447 2.192 20 30 FEEDRO Cc1nc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)c(Cl)cc1C#N ZINC000292769971 552757105 /nfs/dbraw/zinc/75/71/05/552757105.db2.gz WQBAFOSSQOQJIF-GOOCMWNKSA-N 1 0 361.877 2.411 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2CCC([NH+]3CCCCC3)CC2)cc1F ZINC000292929450 552772064 /nfs/dbraw/zinc/77/20/64/552772064.db2.gz IMCMNCBTSOXLDT-UHFFFAOYSA-N 1 0 351.447 2.336 20 30 FEEDRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)C(=O)Nc2sccc2C#N)C1 ZINC000293164594 552794989 /nfs/dbraw/zinc/79/49/89/552794989.db2.gz TYMGOGJODRWMIS-CHWSQXEVSA-N 1 0 362.499 2.431 20 30 FEEDRO C[C@H](CNC(=O)C(=O)Nc1ccccc1SC[C@@H](C)C#N)C[NH+](C)C ZINC000293179896 552796467 /nfs/dbraw/zinc/79/64/67/552796467.db2.gz MWOKSDOQUXPMAR-UONOGXRCSA-N 1 0 362.499 2.191 20 30 FEEDRO CCNC(=O)[C@@H]([NH2+]CC(=O)N(CCC#N)c1cccc(C)c1C)C(C)C ZINC000293289320 552808165 /nfs/dbraw/zinc/80/81/65/552808165.db2.gz OPRXTGOQLABNSM-IBGZPJMESA-N 1 0 358.486 2.300 20 30 FEEDRO CS[C@@H]1CN(C(=O)c2cnc(C(F)(F)F)c(C#N)c2)C[C@@H]1[NH+](C)C ZINC000293317564 552810885 /nfs/dbraw/zinc/81/08/85/552810885.db2.gz FJAWZEWIYBRSKW-NWDGAFQWSA-N 1 0 358.389 2.090 20 30 FEEDRO C=C(C)COc1cccc(NC(=O)C(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)c1 ZINC000293351725 552814451 /nfs/dbraw/zinc/81/44/51/552814451.db2.gz XPJNTWZUKIVABA-HXUWFJFHSA-N 1 0 357.454 2.134 20 30 FEEDRO CC1CC[NH+](C2CCC(NC(=O)C(=O)Nc3ccc(C#N)cn3)CC2)CC1 ZINC000293561264 552835557 /nfs/dbraw/zinc/83/55/57/552835557.db2.gz BJSKZVFZPSJOAX-UHFFFAOYSA-N 1 0 369.469 2.051 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O ZINC000293960973 552871274 /nfs/dbraw/zinc/87/12/74/552871274.db2.gz LARYQMYIELPVII-OAHLLOKOSA-N 1 0 365.886 2.214 20 30 FEEDRO C[C@@H]1C[C@H](NC(=O)C(=O)Nc2sccc2C#N)C[N@@H+]1Cc1ccccc1 ZINC000294227616 552889575 /nfs/dbraw/zinc/88/95/75/552889575.db2.gz XNZCXLCNHIGPIM-CJNGLKHVSA-N 1 0 368.462 2.337 20 30 FEEDRO C[C@H](C(=O)Nc1ccccc1C#N)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC000295065845 552955369 /nfs/dbraw/zinc/95/53/69/552955369.db2.gz ABTMXJJTQHQNQN-HLLBOEOZSA-N 1 0 362.433 2.166 20 30 FEEDRO CCOC(=O)c1cnn(C2CC[NH+](C[C@H](O)c3ccc(C#N)cc3)CC2)c1 ZINC000295070213 552956020 /nfs/dbraw/zinc/95/60/20/552956020.db2.gz AIKNVWCXPINJDQ-IBGZPJMESA-N 1 0 368.437 2.302 20 30 FEEDRO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@@H](CC(C)(C)C(N)=O)C1 ZINC000295085569 552957583 /nfs/dbraw/zinc/95/75/83/552957583.db2.gz BLIIJTAIKSLZSH-ZBFHGGJFSA-N 1 0 356.470 2.499 20 30 FEEDRO CC(C)(C[C@H]1CCCN([C@@H]2CCN(c3sccc3C#N)C2=O)C1)C(N)=O ZINC000295468626 553011943 /nfs/dbraw/zinc/01/19/43/553011943.db2.gz GABJCQCCBSYOFZ-UKRRQHHQSA-N 1 0 374.510 2.339 20 30 FEEDRO C=C(C)CN(C)C(=O)C(=O)N[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000502299309 561615723 /nfs/dbraw/zinc/61/57/23/561615723.db2.gz WREXTRRAGNZANU-DZFIZOCASA-N 1 0 357.498 2.294 20 30 FEEDRO C=CCOc1ccc(CC(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000295930888 553077622 /nfs/dbraw/zinc/07/76/22/553077622.db2.gz IISLEKXYCHRDMF-LJQANCHMSA-N 1 0 358.482 2.365 20 30 FEEDRO CC[C@H](C)N1CCN(C(=O)C(=O)Nc2cccc(OCCCC#N)c2)CC1 ZINC000296096716 553104004 /nfs/dbraw/zinc/10/40/04/553104004.db2.gz GIJVQLWINOGJOK-INIZCTEOSA-N 1 0 372.469 2.250 20 30 FEEDRO N#Cc1cc(F)ccc1CS(=O)(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000296384786 553151243 /nfs/dbraw/zinc/15/12/43/553151243.db2.gz TZJPUVLNNPUAFQ-KRWDZBQOSA-N 1 0 351.447 2.134 20 30 FEEDRO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)Nc1sc(C(C)(C)C)cc1C#N ZINC000296631164 553190127 /nfs/dbraw/zinc/19/01/27/553190127.db2.gz UPARRGLDWZCVKZ-NSHDSACASA-N 1 0 350.488 2.312 20 30 FEEDRO N#Cc1ccc(OC[C@H](O)C[N@@H+](Cc2cccc(C(N)=O)c2)C2CC2)cc1 ZINC000296667804 553195670 /nfs/dbraw/zinc/19/56/70/553195670.db2.gz KNMIPOCFDDHIPV-LJQANCHMSA-N 1 0 365.433 2.061 20 30 FEEDRO C[C@H](CNS(=O)(=O)Cc1ccc(F)cc1C#N)C[NH+]1CCCCC1 ZINC000296678934 553197357 /nfs/dbraw/zinc/19/73/57/553197357.db2.gz HYSBEVPEXSORGZ-CQSZACIVSA-N 1 0 353.463 2.239 20 30 FEEDRO C[C@@H]1CN([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC[N@@H+](C2CC2)C1 ZINC000296695556 553199182 /nfs/dbraw/zinc/19/91/82/553199182.db2.gz KFRWRSHBEBYKJM-JXFKEZNVSA-N 1 0 352.482 2.470 20 30 FEEDRO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)Nc1ccc(F)cc1C#N ZINC000296700241 553200140 /nfs/dbraw/zinc/20/01/40/553200140.db2.gz CLGFVZHOOCLBNV-INIZCTEOSA-N 1 0 360.433 2.263 20 30 FEEDRO CO[C@H](Cc1ccccc1)C[N@@H+]1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000296723369 553203187 /nfs/dbraw/zinc/20/31/87/553203187.db2.gz HRTTTXJJKQZFDU-FUHWJXTLSA-N 1 0 351.454 2.116 20 30 FEEDRO Cc1nsc(NC(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)c1C#N ZINC000297552065 553308129 /nfs/dbraw/zinc/30/81/29/553308129.db2.gz ZPQONXSILRZYBE-HNNXBMFYSA-N 1 0 371.466 2.212 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)Nc1ccn2ccnc2c1)C(C)C ZINC000297705570 553327843 /nfs/dbraw/zinc/32/78/43/553327843.db2.gz BABJUJOQFYYXAF-QGZVFWFLSA-N 1 0 369.469 2.088 20 30 FEEDRO C=CCCN(C)C(=O)C(=O)N(CC[NH+](CC)CC)Cc1cccs1 ZINC000297865712 553350072 /nfs/dbraw/zinc/35/00/72/553350072.db2.gz OROKHPJDOMNRMR-UHFFFAOYSA-N 1 0 351.516 2.453 20 30 FEEDRO N#CC[C@@H]1CC[C@H](NC(=O)N[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2CO)C1 ZINC000298170526 553393334 /nfs/dbraw/zinc/39/33/34/553393334.db2.gz QPTLOOSQPGSZTN-RNQOJCNYSA-N 1 0 370.497 2.251 20 30 FEEDRO CCOC1(C)CCN(CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)CC1 ZINC000298323339 553412111 /nfs/dbraw/zinc/41/21/11/553412111.db2.gz QXXJBTHTGDHPDD-HNNXBMFYSA-N 1 0 368.437 2.403 20 30 FEEDRO N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)n1 ZINC000601567171 553436703 /nfs/dbraw/zinc/43/67/03/553436703.db2.gz WOYANZGFLJCRLP-OKILXGFUSA-N 1 0 356.817 2.365 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c(C(F)(F)F)c1 ZINC000299047754 553508232 /nfs/dbraw/zinc/50/82/32/553508232.db2.gz FTIUXXIOKHXWIE-KGLIPLIRSA-N 1 0 373.400 2.482 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H](C)Sc1nncn1C)C(C)C ZINC000299145769 553521262 /nfs/dbraw/zinc/52/12/62/553521262.db2.gz PSOGAWBQCYMONN-HUUCEWRRSA-N 1 0 351.520 2.111 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N2CCN(c3ccccc3OCC)CC2)CC1 ZINC000299161118 553523110 /nfs/dbraw/zinc/52/31/10/553523110.db2.gz QYBQVXBVKNEJET-UHFFFAOYSA-N 1 0 355.482 2.079 20 30 FEEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+]Cc3ccc(-n4cncn4)cc3)C2=O)cc1 ZINC000503932427 561650177 /nfs/dbraw/zinc/65/01/77/561650177.db2.gz YMXVEIAKCVZKJW-HXUWFJFHSA-N 1 0 372.432 2.424 20 30 FEEDRO C#CC[C@@H]([NH2+]CCS(=O)(=O)CC(=O)OC(C)(C)C)c1ccccc1 ZINC000299166631 553524544 /nfs/dbraw/zinc/52/45/44/553524544.db2.gz XTURQNISDCBIPA-MRXNPFEDSA-N 1 0 351.468 2.097 20 30 FEEDRO C=CCN(CCc1ccccc1)C(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000299183750 553526609 /nfs/dbraw/zinc/52/66/09/553526609.db2.gz QGZSJACGPRVRMT-PMACEKPBSA-N 1 0 369.509 2.186 20 30 FEEDRO CS[C@@H]1CN(CCC(=O)Nc2ccccc2C#N)C[C@@H]1[NH+]1CCCC1 ZINC000299197513 553529015 /nfs/dbraw/zinc/52/90/15/553529015.db2.gz FBCQLZVFVNLCII-ZWKOTPCHSA-N 1 0 358.511 2.398 20 30 FEEDRO C=CCN(CCc1ccccc1)C(=O)C(=O)N(C)CCC[NH+]1CCCC1 ZINC000299199882 553529530 /nfs/dbraw/zinc/52/95/30/553529530.db2.gz UKKCCCXKHKAENI-UHFFFAOYSA-N 1 0 357.498 2.188 20 30 FEEDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)Nc1cccc(OCC#N)c1 ZINC000299206416 553530612 /nfs/dbraw/zinc/53/06/12/553530612.db2.gz RGLPCEHHHJFJPW-OAGGEKHMSA-N 1 0 372.469 2.010 20 30 FEEDRO COc1ccccc1C[C@H]1CCC[N@@H+]1CC(=O)N(CCC#N)CCC#N ZINC000299413054 553560287 /nfs/dbraw/zinc/56/02/87/553560287.db2.gz CLJSXQZXVXMEQH-GOSISDBHSA-N 1 0 354.454 2.358 20 30 FEEDRO CN(CCN1CC[NH+](Cc2ccccc2)CC1)C(=O)NCC1(CC#N)CC1 ZINC000504122764 561653490 /nfs/dbraw/zinc/65/34/90/561653490.db2.gz SVRKZSJSTSDUES-UHFFFAOYSA-N 1 0 369.513 2.139 20 30 FEEDRO COc1ccc(CNC[C@@H](O)C[NH+]2CCCCC2)cc1OCCCC#N ZINC000299670940 553600918 /nfs/dbraw/zinc/60/09/18/553600918.db2.gz YKYOXKXBCMRBQU-GOSISDBHSA-N 1 0 361.486 2.314 20 30 FEEDRO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCCC3(C1)OCCO3)CCC2 ZINC000299725731 553608083 /nfs/dbraw/zinc/60/80/83/553608083.db2.gz UNJXQOPTFANNFO-UHFFFAOYSA-N 1 0 361.467 2.276 20 30 FEEDRO C[NH+](C)[C@H](CNc1ccc(S(N)(=O)=O)cc1C#N)C1CCCCC1 ZINC000301339422 553643343 /nfs/dbraw/zinc/64/33/43/553643343.db2.gz DZGXTHUTQKTBNE-QGZVFWFLSA-N 1 0 350.488 2.128 20 30 FEEDRO C[C@H](CNc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1)N1CC[NH+](C)CC1 ZINC000301410267 553650108 /nfs/dbraw/zinc/65/01/08/553650108.db2.gz OPTZNZFIJHEUSS-CYBMUJFWSA-N 1 0 354.414 2.062 20 30 FEEDRO Cc1cc(NC(=O)NCC2CC[NH+](C3CCOCC3)CC2)ncc1C#N ZINC000603113229 553710732 /nfs/dbraw/zinc/71/07/32/553710732.db2.gz ROIBDEJINCOPFL-UHFFFAOYSA-N 1 0 357.458 2.274 20 30 FEEDRO C[C@@H]1CN(c2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)CC[N@@H+]1CC(C)(C)O ZINC000302467573 553717910 /nfs/dbraw/zinc/71/79/10/553717910.db2.gz BWMMZUQOWDFALS-CYBMUJFWSA-N 1 0 369.425 2.296 20 30 FEEDRO O=C(NC1CC[NH+](C2CC2)CC1)N[C@@H]1CCCN(C2CCCCC2)C1=O ZINC000328609304 553795891 /nfs/dbraw/zinc/79/58/91/553795891.db2.gz MQWNEHQSGARDID-GOSISDBHSA-N 1 0 362.518 2.441 20 30 FEEDRO CN(C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1)C(=O)NCC[C@H]1CCCO1 ZINC000328631692 553799544 /nfs/dbraw/zinc/79/95/44/553799544.db2.gz RICFJTWNBWOJRB-CGTJXYLNSA-N 1 0 363.506 2.218 20 30 FEEDRO C[C@@H]1CC(CNC(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)C[C@@H](C)O1 ZINC000328636493 553800253 /nfs/dbraw/zinc/80/02/53/553800253.db2.gz CLFYDHQGNKDJKV-ZACQAIPSSA-N 1 0 353.507 2.148 20 30 FEEDRO C[C@@H]1CN(CCN(C)C(=O)N[C@@H]2CCCC23CCOCC3)C[C@H](C)O1 ZINC000328693604 553808342 /nfs/dbraw/zinc/80/83/42/553808342.db2.gz FSCIEELHFIAKCI-IXDOHACOSA-N 1 0 353.507 2.291 20 30 FEEDRO CN1CCN(C(=O)CCNC(=O)N2CCCC[C@@H]2Cc2ccccc2)CC1 ZINC000328694421 553808445 /nfs/dbraw/zinc/80/84/45/553808445.db2.gz JZHTVXWJHBMVLY-LJQANCHMSA-N 1 0 372.513 2.162 20 30 FEEDRO CC(C)[NH+]1CCC(N(C)CC(=O)N[C@H](C)C(=O)N2CCCCC2)CC1 ZINC000328718267 553811613 /nfs/dbraw/zinc/81/16/13/553811613.db2.gz PSJULCMUBRTNOA-MRXNPFEDSA-N 1 0 352.523 2.149 20 30 FEEDRO O=C(NC[C@@H]1CCC2(CCOCC2)[C@@H]1O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000328722233 553812772 /nfs/dbraw/zinc/81/27/72/553812772.db2.gz XJTUVRBXCOPOTQ-RYQLBKOJSA-N 1 0 366.502 2.154 20 30 FEEDRO C[N@@H+]1CCC[C@@H]1CNC(=O)NCc1cc2c(c(Br)c1)OCO2 ZINC000328746850 553815992 /nfs/dbraw/zinc/81/59/92/553815992.db2.gz OWZJOADGANYBRL-LLVKDONJSA-N 1 0 370.247 2.276 20 30 FEEDRO CC1(C)CN(CCNC(=O)N2CCNC(=O)[C@@H]2c2ccccc2)CCO1 ZINC000328760922 553818144 /nfs/dbraw/zinc/81/81/44/553818144.db2.gz XWOQJGGJWWZDFW-INIZCTEOSA-N 1 0 360.458 2.025 20 30 FEEDRO O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)N[C@@H]1CCC(=O)NC12CCC2 ZINC000328760904 553818306 /nfs/dbraw/zinc/81/83/06/553818306.db2.gz XWEKGDHIMSOWMQ-GOEBONIOSA-N 1 0 364.490 2.033 20 30 FEEDRO Cc1csc([C@@H]2CN(C(=O)NCC[N@H+]3CCC[C@@H](C)C3)CCO2)n1 ZINC000328787358 553822423 /nfs/dbraw/zinc/82/24/23/553822423.db2.gz JLVCHHSBFDTYKE-HIFRSBDPSA-N 1 0 352.504 2.471 20 30 FEEDRO COC[C@H]1CCN(C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)C1 ZINC000328790199 553822911 /nfs/dbraw/zinc/82/29/11/553822911.db2.gz LGOIXFXIFOXSNX-KRWDZBQOSA-N 1 0 353.507 2.151 20 30 FEEDRO C[C@@H]1C[N@@H+](CC2CCN(C(=O)N[C@@H]3CCO[C@@H]3C3CC3)CC2)C[C@H](C)O1 ZINC000328842883 553831419 /nfs/dbraw/zinc/83/14/19/553831419.db2.gz QGCGZFYWKVPCOL-WTLGNFPFSA-N 1 0 365.518 2.289 20 30 FEEDRO C[C@@H]1CN(CC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)C[C@H]1[NH+](C)C ZINC000328906037 553842540 /nfs/dbraw/zinc/84/25/40/553842540.db2.gz KKYIEEZFBFCFEP-VQIMIIECSA-N 1 0 372.513 2.395 20 30 FEEDRO CC1CCC2(CC1)NC(=O)N(CC(=O)N[C@@H]1CC[N@@H+]3CCCC[C@@H]13)C2=O ZINC000328912817 553843785 /nfs/dbraw/zinc/84/37/85/553843785.db2.gz HOBGJIPGNHRLKJ-QXGUJMOYSA-N 1 0 362.474 2.275 20 30 FEEDRO C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)[N@@H+]1CCC[C@](O)(Cn2ccnn2)C1 ZINC000328938166 553848944 /nfs/dbraw/zinc/84/89/44/553848944.db2.gz JZOFKGOFPNZIQP-QLCXLMDBSA-N 1 0 363.506 2.275 20 30 FEEDRO C[C@]1(O)CCOC[C@@H]1[C@@H]1CCC[N@@H+]1CC(=O)NC[C@@H]1Cc2ccccc2O1 ZINC000328957767 553852650 /nfs/dbraw/zinc/85/26/50/553852650.db2.gz JMAPFUDONNBJIL-NYUBLWNDSA-N 1 0 374.481 2.199 20 30 FEEDRO O=C(C[N@H+]1CCC[C@](O)(Cn2ccnn2)C1)NC12CC3CC(CC(C3)C1)C2 ZINC000328960239 553853427 /nfs/dbraw/zinc/85/34/27/553853427.db2.gz PKZSLMMKWVKVDY-AKMRJOLWSA-N 1 0 373.501 2.030 20 30 FEEDRO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC(=O)N(C2CC2)[C@H]1c1ccnn1C ZINC000328979839 553858084 /nfs/dbraw/zinc/85/80/84/553858084.db2.gz DCBUCPGRUXUVRK-UWWQBHOKSA-N 1 0 359.474 2.055 20 30 FEEDRO CC(C)[C@@H](C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)N1CCCS1(=O)=O ZINC000328983663 553858590 /nfs/dbraw/zinc/85/85/90/553858590.db2.gz FTZUNWJQJWZOIM-UYTSQGDYSA-N 1 0 357.520 2.018 20 30 FEEDRO C[NH+]1CCC2(CCCN2C(=O)N[C@@H]2CCN(Cc3ccccc3)C2=O)CC1 ZINC000329029411 553867504 /nfs/dbraw/zinc/86/75/04/553867504.db2.gz ANYLQQGOWOBOLP-GOSISDBHSA-N 1 0 370.497 2.262 20 30 FEEDRO CN(C)C(=O)c1cccc(CNC(=O)N2CCCC23CC[NH+](C)CC3)c1 ZINC000329084360 553877428 /nfs/dbraw/zinc/87/74/28/553877428.db2.gz TYKHKHVNCXHRKD-UHFFFAOYSA-N 1 0 358.486 2.363 20 30 FEEDRO COCCOc1ncccc1CNC(=O)N1CCCC12CC[NH+](C)CC2 ZINC000329090429 553878477 /nfs/dbraw/zinc/87/84/77/553878477.db2.gz WNBIXFGCHKOBON-UHFFFAOYSA-N 1 0 362.474 2.081 20 30 FEEDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O ZINC000329112365 553882741 /nfs/dbraw/zinc/88/27/41/553882741.db2.gz HBOLQFUJGKLHGM-LJPSSGMGSA-N 1 0 364.490 2.234 20 30 FEEDRO O=C(N[C@@H]1CCO[C@]2(CCOC2)C1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000329130313 553885820 /nfs/dbraw/zinc/88/58/20/553885820.db2.gz WWMYFYAJRKSBBI-ZIFCJYIRSA-N 1 0 351.491 2.189 20 30 FEEDRO CN1CC[C@H]([NH+]2CCC(NC(=O)Cc3cc(F)c(F)cc3F)CC2)C1=O ZINC000329155063 553891077 /nfs/dbraw/zinc/89/10/77/553891077.db2.gz CHCMXLUZYANPBF-INIZCTEOSA-N 1 0 369.387 2.298 20 30 FEEDRO C[C@H](C[NH+]1CCCCC1)NC(=O)N[C@@H]1CC(=O)N(C2CCCCC2)C1 ZINC000329158087 553891528 /nfs/dbraw/zinc/89/15/28/553891528.db2.gz WSFYHBDVUAXRLI-HZPDHXFCSA-N 1 0 350.507 2.298 20 30 FEEDRO C[NH+]1CCC(Nc2ccccc2NC(=O)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000329179851 553896643 /nfs/dbraw/zinc/89/66/43/553896643.db2.gz MUWCIBHDZKOFLA-CYBMUJFWSA-N 1 0 351.472 2.215 20 30 FEEDRO N#Cc1cc(F)cc(C2(C(=O)N3CCC(C[NH+]4CCOCC4)CC3)CC2)c1 ZINC000506322739 561695637 /nfs/dbraw/zinc/69/56/37/561695637.db2.gz AGJSEADFJGHOQT-UHFFFAOYSA-N 1 0 371.456 2.300 20 30 FEEDRO Cc1ccc(OCC(=O)NC2CC[NH+]([C@@H]3CCN(C)C3=O)CC2)cc1C ZINC000329195503 553899661 /nfs/dbraw/zinc/89/96/61/553899661.db2.gz UHHSIYDCEYIFNI-GOSISDBHSA-N 1 0 359.470 2.334 20 30 FEEDRO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC(CNC(=O)c2ccccn2)CC1 ZINC000329198425 553900260 /nfs/dbraw/zinc/90/02/60/553900260.db2.gz WOTDMOVTBPVOGL-GOSISDBHSA-N 1 0 358.486 2.499 20 30 FEEDRO C[NH+]1CCN(c2ccc(NC(=O)Cc3c(F)cccc3C#N)nc2)CC1 ZINC000506343040 561696008 /nfs/dbraw/zinc/69/60/08/561696008.db2.gz VYQFLMKOIDVELW-UHFFFAOYSA-N 1 0 353.401 2.025 20 30 FEEDRO CCc1ccc(OCC(=O)NC2CC[NH+]([C@H]3CCN(C)C3=O)CC2)cc1 ZINC000329204889 553901536 /nfs/dbraw/zinc/90/15/36/553901536.db2.gz XTEXCTDPYSKMCS-SFHVURJKSA-N 1 0 359.470 2.279 20 30 FEEDRO N#Cc1ccc(N2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C3CCCC3)CC2)nc1 ZINC000329214019 553903741 /nfs/dbraw/zinc/90/37/41/553903741.db2.gz KLJDNWSHURHBOJ-IBGZPJMESA-N 1 0 367.497 2.399 20 30 FEEDRO CC[C@@H]1CN(C(=O)NCC2([NH+](C)C)CCCCCC2)C[C@@H](C)S1(=O)=O ZINC000329222037 553905304 /nfs/dbraw/zinc/90/53/04/553905304.db2.gz VRTHEUXYMLSPPW-HZPDHXFCSA-N 1 0 373.563 2.453 20 30 FEEDRO Cc1noc([C@H]2CCCN2C(=O)NCC2([NH+]3CCCC3)CCOCC2)n1 ZINC000329234158 553907699 /nfs/dbraw/zinc/90/76/99/553907699.db2.gz MOLBEOAHUXRKRY-OAHLLOKOSA-N 1 0 363.462 2.074 20 30 FEEDRO CCO[C@@H]1C[C@H](NC(=O)N2C[C@H](N3CCOCC3)C[C@H]2C)C12CCCC2 ZINC000329244188 553909716 /nfs/dbraw/zinc/90/97/16/553909716.db2.gz UHGSWBNPZAWGES-ZJPYXAASSA-N 1 0 365.518 2.433 20 30 FEEDRO CC[C@H](NC(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)C1CCOCC1 ZINC000329245612 553909802 /nfs/dbraw/zinc/90/98/02/553909802.db2.gz AITXEKJVDZKRCC-IPMKNSEASA-N 1 0 367.534 2.463 20 30 FEEDRO C[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCCN(C(=O)NC4CCCC4)C3)C2)C1 ZINC000329250026 553910696 /nfs/dbraw/zinc/91/06/96/553910696.db2.gz XJIQXMBKVOJABN-JXFKEZNVSA-N 1 0 362.518 2.109 20 30 FEEDRO Cn1cncc1[C@H]1[C@H](NC(=O)N[C@@H]2CC[C@@H](F)C2)CCC(=O)N1C1CC1 ZINC000329253900 553911784 /nfs/dbraw/zinc/91/17/84/553911784.db2.gz ZLTRWFPSCLOQCK-CTWCOEIASA-N 1 0 363.437 2.009 20 30 FEEDRO O=C(NCC1([NH+]2CCCC2)CCOCC1)[C@H]1COCCN1C1CCCC1 ZINC000329306299 553921958 /nfs/dbraw/zinc/92/19/58/553921958.db2.gz YPSADNRPLOMYLM-GOSISDBHSA-N 1 0 365.518 2.231 20 30 FEEDRO C[C@H](NC(=O)NCc1ccccc1N1CCOCC1)C1=CC[N@H+](C)CC1 ZINC000329342326 553928810 /nfs/dbraw/zinc/92/88/10/553928810.db2.gz PNGRNHXQBBNSCF-INIZCTEOSA-N 1 0 358.486 2.177 20 30 FEEDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCN(c2nc(C)cc(C)n2)CC1 ZINC000329362050 553932336 /nfs/dbraw/zinc/93/23/36/553932336.db2.gz CSUSBXOZXSRFGL-QGZVFWFLSA-N 1 0 360.506 2.004 20 30 FEEDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)N[C@H]1CCN(c2ccccc2)C1=O ZINC000329418671 553943268 /nfs/dbraw/zinc/94/32/68/553943268.db2.gz GJNYCJGWYUJRCB-BPQIPLTHSA-N 1 0 356.470 2.265 20 30 FEEDRO O=C(NCC1([NH+]2CCCC2)CCOCC1)N1CCCC[C@@H]1c1cc[nH]n1 ZINC000329422644 553943814 /nfs/dbraw/zinc/94/38/14/553943814.db2.gz HNHHJKIATGIJNC-QGZVFWFLSA-N 1 0 361.490 2.496 20 30 FEEDRO Cc1nc([C@@H]2CN(C(=O)NC3CC[NH+](C4CCCC4)CC3)CCO2)no1 ZINC000329500266 553958403 /nfs/dbraw/zinc/95/84/03/553958403.db2.gz KFKNYJYBXKJGOR-INIZCTEOSA-N 1 0 363.462 2.072 20 30 FEEDRO Cc1nccc(N2CCN(C(=O)NCC3([NH+](C)C)CCCCCC3)CC2)n1 ZINC000329500864 553958524 /nfs/dbraw/zinc/95/85/24/553958524.db2.gz HLYUZPAVABOVKI-UHFFFAOYSA-N 1 0 374.533 2.476 20 30 FEEDRO CC(C)C(=O)N1CCC(NC(=O)NCC2CC[NH+](C3CC3)CC2)CC1 ZINC000329507783 553959358 /nfs/dbraw/zinc/95/93/58/553959358.db2.gz AYFNCMCHHATRFI-UHFFFAOYSA-N 1 0 350.507 2.011 20 30 FEEDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)N[C@H]1CCOC2(CCOCC2)C1 ZINC000329535178 553963446 /nfs/dbraw/zinc/96/34/46/553963446.db2.gz LGPRWFPTTWJKED-IXDOHACOSA-N 1 0 351.491 2.187 20 30 FEEDRO COCCn1cc2c(n1)[C@H](NC(=O)N(C)C[C@@H]1CCC[N@H+](C)C1)CCC2 ZINC000329598498 553974329 /nfs/dbraw/zinc/97/43/29/553974329.db2.gz WKZJHOGHWHCBOW-NVXWUHKLSA-N 1 0 363.506 2.095 20 30 FEEDRO C[NH+](C)C[C@H](NC(=O)N[C@@H]1CCC(=O)N[C@@H]1[C@H]1CCCO1)c1ccccc1 ZINC000329629628 553979757 /nfs/dbraw/zinc/97/97/57/553979757.db2.gz VCNOZODXJMRNLD-NTDBWNAOSA-N 1 0 374.485 2.459 20 30 FEEDRO Cc1ncc(CNC(=O)NCC2([NH+]3CCCCC3)CCN(C)CC2)s1 ZINC000329638495 553980886 /nfs/dbraw/zinc/98/08/86/553980886.db2.gz ARFZBQNCDQDOFL-UHFFFAOYSA-N 1 0 365.547 2.405 20 30 FEEDRO O=C(C[N@@H+]1CCC[C@@H](C(=O)N2CCCC2)C1)NC[C@H]1Cc2ccccc2O1 ZINC000329648263 553982137 /nfs/dbraw/zinc/98/21/37/553982137.db2.gz FBTKHWHMLUJRHO-QZTJIDSGSA-N 1 0 371.481 2.281 20 30 FEEDRO CC[C@H](C)[C@H](NC(=O)N1CCCC1)C(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000329723015 553995509 /nfs/dbraw/zinc/99/55/09/553995509.db2.gz CQEWQZXWFHTUFI-ULQDDVLXSA-N 1 0 350.507 2.108 20 30 FEEDRO CCC1(CNC(=O)N2CC[NH+](CC3CCOCC3)CC2)CCOCC1 ZINC000329793103 554006995 /nfs/dbraw/zinc/00/69/95/554006995.db2.gz ASADBRBJNBOMKL-UHFFFAOYSA-N 1 0 353.507 2.151 20 30 FEEDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)N2CCS(=O)(=O)C3(CCCCC3)C2)C1 ZINC000329806083 554008991 /nfs/dbraw/zinc/00/89/91/554008991.db2.gz LCBKCVXBFXIDTC-HZPDHXFCSA-N 1 0 371.547 2.207 20 30 FEEDRO CC(C)C(=O)N1CCC(NC(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)CC1 ZINC000329808111 554009571 /nfs/dbraw/zinc/00/95/71/554009571.db2.gz BORVYBOUBHGNSN-OAHLLOKOSA-N 1 0 352.523 2.210 20 30 FEEDRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N[C@@H]2CCCCC[C@@H]2C(N)=O)C1 ZINC000329814420 554011002 /nfs/dbraw/zinc/01/10/02/554011002.db2.gz UMVBVCHRMPXQCB-OWCLPIDISA-N 1 0 354.495 2.331 20 30 FEEDRO CC(C)c1nnc2n1C[C@H]([NH+]=C([O-])N(C)[C@@H](C)C1CC[NH+](C)CC1)CC2 ZINC000329858035 554020212 /nfs/dbraw/zinc/02/02/12/554020212.db2.gz VTYKXDRYYSRJTQ-GOEBONIOSA-N 1 0 362.522 2.292 20 30 FEEDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)[C@@H]1OCC(=O)N(C)[C@@H]1c1ccccc1 ZINC000329890160 554025103 /nfs/dbraw/zinc/02/51/03/554025103.db2.gz FUCUMLBGTSEHBM-ZFKCKOODSA-N 1 0 357.454 2.024 20 30 FEEDRO CN(C(=O)[C@@H]1CCCN(C(=O)NC2CCCC2)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC000329932086 554034066 /nfs/dbraw/zinc/03/40/66/554034066.db2.gz AWIONAVRGDRGFQ-SJLPKXTDSA-N 1 0 362.518 2.108 20 30 FEEDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000329946564 554036601 /nfs/dbraw/zinc/03/66/01/554036601.db2.gz GNASSQSRDCMQGZ-VQIMIIECSA-N 1 0 353.507 2.435 20 30 FEEDRO Cc1cccc2c1OCC[C@H]2NC(=O)N[C@H](C)CC[NH+]1CCN(C)CC1 ZINC000329965331 554040238 /nfs/dbraw/zinc/04/02/38/554040238.db2.gz RADIFNGPBDPBCN-SJLPKXTDSA-N 1 0 360.502 2.348 20 30 FEEDRO O=C(CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)NCC1CC[NH+](C2CC2)CC1 ZINC000329968152 554040881 /nfs/dbraw/zinc/04/08/81/554040881.db2.gz VYEVDONZMRSTGH-CALCHBBNSA-N 1 0 361.486 2.383 20 30 FEEDRO CCN1CCN(C(=O)C(=O)Nc2ccccc2SC[C@H](C)C#N)[C@H](C)C1 ZINC000507380562 561727096 /nfs/dbraw/zinc/72/70/96/561727096.db2.gz LBMAXUOKNLYSQJ-HUUCEWRRSA-N 1 0 374.510 2.429 20 30 FEEDRO CN(C)[C@@H](CNS(=O)(=O)Cc1cccc(C#N)c1)c1cccc(F)c1 ZINC000507381177 561727139 /nfs/dbraw/zinc/72/71/39/561727139.db2.gz MJWSRRPQAUKWLE-SFHVURJKSA-N 1 0 361.442 2.420 20 30 FEEDRO C[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2CC[S@](=O)C2)[C@@H]1c1cccs1 ZINC000330010557 554049049 /nfs/dbraw/zinc/04/90/49/554049049.db2.gz HCSXSAVAOBACKM-XKYPWLMQSA-N 1 0 355.529 2.156 20 30 FEEDRO O=C(NCCc1ccc2ccccc2n1)N1CC[NH+](C2CCOCC2)CC1 ZINC000330024779 554051239 /nfs/dbraw/zinc/05/12/39/554051239.db2.gz KAZSEVLMHCEXBD-UHFFFAOYSA-N 1 0 368.481 2.488 20 30 FEEDRO C[C@H](C(=O)NC1CC[NH+](C(C)(C)C)CC1)S(=O)(=O)C1CCOCC1 ZINC000330034940 554052773 /nfs/dbraw/zinc/05/27/73/554052773.db2.gz BLDKRWOJZVRMAP-CYBMUJFWSA-N 1 0 360.520 2.188 20 30 FEEDRO CC[NH+]1CCC(NC(=O)N2CCC(c3nnc4n3CCCC4)CC2)CC1 ZINC000330043532 554054109 /nfs/dbraw/zinc/05/41/09/554054109.db2.gz FFMJUCYFWQNZSH-UHFFFAOYSA-N 1 0 360.506 2.192 20 30 FEEDRO Cc1cnn([C@@H]2CCCN(C(=O)NC[C@@]3([NH+](C)C)CCSC3)C2)c1 ZINC000330065442 554057961 /nfs/dbraw/zinc/05/79/61/554057961.db2.gz DADQSIDEUWENEF-WBVHZDCISA-N 1 0 351.520 2.180 20 30 FEEDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CC[C@@H](N3CCCC3=O)C2)C1 ZINC000330069068 554059193 /nfs/dbraw/zinc/05/91/93/554059193.db2.gz VYGJGSOTJJJXOA-HZPDHXFCSA-N 1 0 350.507 2.108 20 30 FEEDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N2CCC(O[C@H]3CCOC3)CC2)C1 ZINC000330079733 554061124 /nfs/dbraw/zinc/06/11/24/554061124.db2.gz ONMDBRXFBZZGLZ-AEFFLSMTSA-N 1 0 353.507 2.291 20 30 FEEDRO CC[C@@H](C)n1ncc(NC(=O)N2CC[C@@H](N3CC[NH+](CC)CC3)C2)c1C ZINC000330097439 554063984 /nfs/dbraw/zinc/06/39/84/554063984.db2.gz ASEVVUUSOXFTAX-NVXWUHKLSA-N 1 0 362.522 2.420 20 30 FEEDRO CS[C@@H]1CN(C(=O)CNC(=O)c2ccsc2)C[C@H]1[NH+]1CCCC1 ZINC000330123006 554069007 /nfs/dbraw/zinc/06/90/07/554069007.db2.gz KOTAGRAURBRGTA-ZIAGYGMSSA-N 1 0 353.513 2.091 20 30 FEEDRO CCC[NH+]1CCC(NC(=O)N2CCN(c3cc(C4CC4)[nH]n3)CC2)CC1 ZINC000330192761 554081751 /nfs/dbraw/zinc/08/17/51/554081751.db2.gz YCKYHEFNJACQPB-UHFFFAOYSA-N 1 0 360.506 2.198 20 30 FEEDRO C[C@H](NC(=O)NCC1CC[NH+](C2CC2)CC1)C(=O)N1CCCC[C@H]1C ZINC000330231722 554089849 /nfs/dbraw/zinc/08/98/49/554089849.db2.gz FCJGAXNNSOPPAV-CABCVRRESA-N 1 0 350.507 2.154 20 30 FEEDRO CO[C@]1(C)C[C@H](N(C)C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C1(C)C ZINC000330236431 554090220 /nfs/dbraw/zinc/09/02/20/554090220.db2.gz UKEGUAFRIKRHMQ-NHAYFPRASA-N 1 0 367.534 2.414 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CCOC3(CCOCC3)C2)CC1 ZINC000330234680 554090385 /nfs/dbraw/zinc/09/03/85/554090385.db2.gz STDYZWQNIJTNMT-KRWDZBQOSA-N 1 0 351.491 2.259 20 30 FEEDRO Cc1noc(C)c1[C@@H](C)CNC(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC000330254070 554093643 /nfs/dbraw/zinc/09/36/43/554093643.db2.gz JHAFHYLTWIQENV-KBPBESRZSA-N 1 0 364.490 2.494 20 30 FEEDRO CN(C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1)C(=O)NCc1cccnc1 ZINC000330281923 554098895 /nfs/dbraw/zinc/09/88/95/554098895.db2.gz AFKPQPJDQGBXIQ-FUHWJXTLSA-N 1 0 356.474 2.244 20 30 FEEDRO C[C@@H]1CN(C(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)CCCO1 ZINC000330315864 554104201 /nfs/dbraw/zinc/10/42/01/554104201.db2.gz YZVNGZBKLJJFPL-OAHLLOKOSA-N 1 0 368.522 2.478 20 30 FEEDRO Cn1nccc1[C@@H]1OCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000330325551 554105627 /nfs/dbraw/zinc/10/56/27/554105627.db2.gz JJPNHSZLWZZCQG-BMGDILEWSA-N 1 0 362.474 2.098 20 30 FEEDRO Cc1c([C@H]2OCC[C@@H]2NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cnn1C ZINC000330332215 554106916 /nfs/dbraw/zinc/10/69/16/554106916.db2.gz OTEYCBGAAHNTDC-LXWIVHRMSA-N 1 0 361.490 2.077 20 30 FEEDRO C[C@@H]1COCC[C@@H]1NC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000330334739 554107258 /nfs/dbraw/zinc/10/72/58/554107258.db2.gz QXYAOGVUJVJHSZ-SJORKVTESA-N 1 0 353.507 2.198 20 30 FEEDRO C[C@H](C(=O)Nc1nc2ccc(F)cc2s1)N1C[C@@H]2OCCN(C)[C@H]2C1 ZINC000330345752 554109171 /nfs/dbraw/zinc/10/91/71/554109171.db2.gz FOSGXGNIEHHUGQ-SWHYSGLUSA-N 1 0 364.446 2.427 20 30 FEEDRO COC(=O)[C@]1(C)CN(C(=O)NC[C@H]2CCC[N@H+](CC(C)C)C2)C[C@H]1C ZINC000330399179 554116477 /nfs/dbraw/zinc/11/64/77/554116477.db2.gz CSZBOJIHDHSAEP-GPMSIDNRSA-N 1 0 353.507 2.399 20 30 FEEDRO C[C@@H](CC#N)N(C)S(=O)(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000330413986 554118655 /nfs/dbraw/zinc/11/86/55/554118655.db2.gz MRARQMZWSNYMHD-FUHWJXTLSA-N 1 0 364.515 2.109 20 30 FEEDRO CC(C)NC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@](O)(Cc2cccc(Cl)c2)C1 ZINC000330578352 554140562 /nfs/dbraw/zinc/14/05/62/554140562.db2.gz RVPHSKKMCGBGLX-UGSOOPFHSA-N 1 0 367.877 2.146 20 30 FEEDRO C[C@H](CNC(=O)c1sccc1S(=O)(=O)N1CCCCC1)C[NH+](C)C ZINC000330621272 554147015 /nfs/dbraw/zinc/14/70/15/554147015.db2.gz LTMVCFQGFBINHY-CYBMUJFWSA-N 1 0 373.544 2.425 20 30 FEEDRO CC[C@H]1CN(C(=O)Nc2cc(OC)ccc2OC)CC[N@@H+]1C[C@@H](C)O ZINC000330652932 554150900 /nfs/dbraw/zinc/15/09/00/554150900.db2.gz NPOWOXCKLDOJSO-KGLIPLIRSA-N 1 0 351.447 2.026 20 30 FEEDRO Cc1oc(S(N)(=O)=O)cc1C(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000330716143 554162075 /nfs/dbraw/zinc/16/20/75/554162075.db2.gz YTHRWOAIBXODJP-VXGBXAGGSA-N 1 0 371.503 2.297 20 30 FEEDRO CS[C@H]1CN(C(=O)Nc2cccnc2OCC(F)F)C[C@@H]1[NH+](C)C ZINC000330813554 554174877 /nfs/dbraw/zinc/17/48/77/554174877.db2.gz LHEXTKRWMITAFI-RYUDHWBXSA-N 1 0 360.430 2.248 20 30 FEEDRO CS[C@@H]1CN(C(=O)Nc2cccnc2OCC(F)F)C[C@@H]1[NH+](C)C ZINC000330813553 554174899 /nfs/dbraw/zinc/17/48/99/554174899.db2.gz LHEXTKRWMITAFI-NWDGAFQWSA-N 1 0 360.430 2.248 20 30 FEEDRO COC(=O)c1cc(NC(=O)N2C[C@@H](SC)[C@H]([NH+](C)C)C2)ccc1C ZINC000330835405 554177087 /nfs/dbraw/zinc/17/70/87/554177087.db2.gz WSKDZJNHBFNZFN-HUUCEWRRSA-N 1 0 351.472 2.305 20 30 FEEDRO Cc1c(CS(C)(=O)=O)cccc1NC(=O)N1CC[N@@H+](C)[C@H](C)[C@@H]1C ZINC000330897403 554184478 /nfs/dbraw/zinc/18/44/78/554184478.db2.gz UEUHHXSNRLWUID-KGLIPLIRSA-N 1 0 353.488 2.110 20 30 FEEDRO CC[N@@H+]1CCC[C@@H](NC(=O)NCc2ccc(S(=O)(=O)CC)s2)C1 ZINC000330994587 554198615 /nfs/dbraw/zinc/19/86/15/554198615.db2.gz TYGUGUBWQROHNM-GFCCVEGCSA-N 1 0 359.517 2.030 20 30 FEEDRO COc1cc(NC(=O)NC[C@H]2C[N@H+](C)CCN2C)ccc1OC(C)C ZINC000331005886 554200100 /nfs/dbraw/zinc/20/01/00/554200100.db2.gz SIRLTARHXKAFNY-HNNXBMFYSA-N 1 0 350.463 2.054 20 30 FEEDRO Cc1c(CNC(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000331100957 554213490 /nfs/dbraw/zinc/21/34/90/554213490.db2.gz ONRDDGSEJFWXRM-CYBMUJFWSA-N 1 0 364.446 2.094 20 30 FEEDRO CN(CCC[N@H+](C)Cc1ccco1)C(=O)C(=O)Nc1ccc(F)cc1C#N ZINC000508587765 561766874 /nfs/dbraw/zinc/76/68/74/561766874.db2.gz MBRUSTQGSXUVDY-UHFFFAOYSA-N 1 0 372.400 2.209 20 30 FEEDRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2cc(OC(F)F)n(C)n2)C1 ZINC000331177330 554226525 /nfs/dbraw/zinc/22/65/25/554226525.db2.gz KLMLOELSZGGFIW-NSHDSACASA-N 1 0 359.421 2.858 20 30 FEEDRO C[C@H](C(=O)NC(=O)NC(C)(C)C)[NH+]1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000331179739 554226536 /nfs/dbraw/zinc/22/65/36/554226536.db2.gz YOUZSGTVPJGINE-ZBFHGGJFSA-N 1 0 369.506 2.254 20 30 FEEDRO CC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000331191453 554228183 /nfs/dbraw/zinc/22/81/83/554228183.db2.gz LHLVFKBKECZZIG-LBPRGKRZSA-N 1 0 372.288 2.083 20 30 FEEDRO C[C@@H]1CCN(C(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)[C@H]1C ZINC000331200382 554230252 /nfs/dbraw/zinc/23/02/52/554230252.db2.gz WLEHUQQHJYHLMB-CABCVRRESA-N 1 0 352.523 2.257 20 30 FEEDRO Cc1c(CS(C)(=O)=O)cccc1NC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000331228865 554233607 /nfs/dbraw/zinc/23/36/07/554233607.db2.gz CGMAJRVAZUZTIL-BBRMVZONSA-N 1 0 367.515 2.500 20 30 FEEDRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NCCc1cccc(F)c1F ZINC000331238889 554234822 /nfs/dbraw/zinc/23/48/22/554234822.db2.gz VZPLNEPHLDPOPX-ZDUSSCGKSA-N 1 0 355.429 2.198 20 30 FEEDRO C[C@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000331241563 554235548 /nfs/dbraw/zinc/23/55/48/554235548.db2.gz JZZADGHQMOQDPA-HLLBOEOZSA-N 1 0 373.563 2.451 20 30 FEEDRO C[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)[C@H]1CCCOC1 ZINC000508770357 561772215 /nfs/dbraw/zinc/77/22/15/561772215.db2.gz OBBBIDLSHJSTAG-LPHOPBHVSA-N 1 0 358.486 2.447 20 30 FEEDRO CCC[NH+]1CCC(NC(=O)Nc2ccccc2S(=O)(=O)N(C)C)CC1 ZINC000331257352 554237572 /nfs/dbraw/zinc/23/75/72/554237572.db2.gz XPXFAVUTHATBDP-UHFFFAOYSA-N 1 0 368.503 2.137 20 30 FEEDRO C[NH+](C)CC1CCC(NS(=O)(=O)Cc2ccc(F)cc2C#N)CC1 ZINC000331294931 554242790 /nfs/dbraw/zinc/24/27/90/554242790.db2.gz CKHMLMDKRDKODU-UHFFFAOYSA-N 1 0 353.463 2.237 20 30 FEEDRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)Nc2cn(C)nc2C(F)(F)F)C1 ZINC000331320112 554246492 /nfs/dbraw/zinc/24/64/92/554246492.db2.gz IYHPCQPHZXKVFV-NSHDSACASA-N 1 0 363.384 2.122 20 30 FEEDRO CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NS(=O)(=O)N(C)[C@@H](C)CC#N ZINC000509287084 561793841 /nfs/dbraw/zinc/79/38/41/561793841.db2.gz NAVWBJCPXREBPP-FUHWJXTLSA-N 1 0 366.531 2.211 20 30 FEEDRO Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N3C[C@@H](C)[N@@H+](C)C[C@@H]3C)C2)n1 ZINC000509673220 561809962 /nfs/dbraw/zinc/80/99/62/561809962.db2.gz YJPSJPKOSZPUIK-RYRKJORJSA-N 1 0 355.486 2.029 20 30 FEEDRO CC(C)[C@@H]1CCc2c(C#N)c(NC(=O)C(=O)N3CC[NH2+]C[C@@H]3C)sc2C1 ZINC000332365858 554433271 /nfs/dbraw/zinc/43/32/71/554433271.db2.gz XVTLETIHRIOKPP-QWHCGFSZSA-N 1 0 374.510 2.139 20 30 FEEDRO Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N[C@H]3C[C@@H](C)[N@@H+](C4CC4)C3)C2)n1 ZINC000333055686 554565896 /nfs/dbraw/zinc/56/58/96/554565896.db2.gz MDUYQCQIKWDSIK-NJAFHUGGSA-N 1 0 367.497 2.220 20 30 FEEDRO C=CCOC[C@@H]1NC(=O)N(C[C@H]2CCC[N@H+](Cc3cccs3)C2)C1=O ZINC000348513879 554687652 /nfs/dbraw/zinc/68/76/52/554687652.db2.gz ONAOBSNRQIBHCF-HOCLYGCPSA-N 1 0 363.483 2.083 20 30 FEEDRO Cc1n[nH]c(C2CC[NH+]([C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)CC2)n1 ZINC000360471954 554876072 /nfs/dbraw/zinc/87/60/72/554876072.db2.gz GODNCUWWJIRFCQ-GOSISDBHSA-N 1 0 364.453 2.360 20 30 FEEDRO N#Cc1ccsc1NC(=O)CC[N@@H+]1CC[C@@H](C(F)(F)F)[C@H](CO)C1 ZINC000511624337 561874921 /nfs/dbraw/zinc/87/49/21/561874921.db2.gz CEBXSLYLQBHBEV-NWDGAFQWSA-N 1 0 361.389 2.441 20 30 FEEDRO N#Cc1ccc(NC(=O)CC[N@@H+]2CCCC[C@@H]2CN2CCCC2=O)cc1 ZINC000362776207 554987696 /nfs/dbraw/zinc/98/76/96/554987696.db2.gz TYBXMUYGDHOTDU-GOSISDBHSA-N 1 0 354.454 2.364 20 30 FEEDRO N#Cc1cnn(-c2ccc(C(=O)N3CCC[C@@H]([NH+]4CCCC4)C3)cc2)c1N ZINC000363187030 555049027 /nfs/dbraw/zinc/04/90/27/555049027.db2.gz CRBMEYSLEFXZOM-GOSISDBHSA-N 1 0 364.453 2.027 20 30 FEEDRO N#Cc1ccc(NC(=O)CC[NH+]2CCC(NC(=O)C3CCC3)CC2)cc1 ZINC000363191746 555049623 /nfs/dbraw/zinc/04/96/23/555049623.db2.gz BWSGFHFFENZFLC-UHFFFAOYSA-N 1 0 354.454 2.268 20 30 FEEDRO CC[NH+](CC)[C@@H]1CCN(C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C1 ZINC000363283677 555070903 /nfs/dbraw/zinc/07/09/03/555070903.db2.gz YOHADYIYKYKOOR-GOSISDBHSA-N 1 0 370.501 2.048 20 30 FEEDRO C[C@H](Oc1ccccc1C#N)C(=O)N[C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@@H]1C ZINC000363418148 555100398 /nfs/dbraw/zinc/10/03/98/555100398.db2.gz MVIXZKQAVXEZDU-PBWTXFEYSA-N 1 0 371.481 2.331 20 30 FEEDRO N#CCCn1ccc(=NC(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)[nH]1 ZINC000363424916 555102366 /nfs/dbraw/zinc/10/23/66/555102366.db2.gz WDNDHBPXEWGPAC-SFHVURJKSA-N 1 0 366.469 2.830 20 30 FEEDRO N#CCCn1ccc(=NC(=O)NC2CC[NH+](Cc3cccs3)CC2)[nH]1 ZINC000363425043 555102807 /nfs/dbraw/zinc/10/28/07/555102807.db2.gz XBAATTXXLOUYCM-UHFFFAOYSA-N 1 0 358.471 2.644 20 30 FEEDRO N#Cc1cccc(S(=O)(=O)CCN2CCCC[C@@H]2Cn2cccn2)c1 ZINC000363502012 555121686 /nfs/dbraw/zinc/12/16/86/555121686.db2.gz FUOSMVYFQPUXKC-QGZVFWFLSA-N 1 0 358.467 2.083 20 30 FEEDRO COC(=O)[C@H](N[C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@H]1C)c1cccc(C#N)c1 ZINC000363707154 555168818 /nfs/dbraw/zinc/16/88/18/555168818.db2.gz PSTIWXUNFLYMIH-HUYLIWGRSA-N 1 0 371.481 2.251 20 30 FEEDRO CC(C)(O)C[N@@H+]1CCc2c(cccc2NC(=O)C2(C#N)CCOCC2)C1 ZINC000363758638 555180238 /nfs/dbraw/zinc/18/02/38/555180238.db2.gz DMZYNFFPRYDRAM-UHFFFAOYSA-N 1 0 357.454 2.074 20 30 FEEDRO CCCC[C@H](ON=C(C)C)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000363870999 555203225 /nfs/dbraw/zinc/20/32/25/555203225.db2.gz YYOGLUWFZBVQIR-ROUUACIJSA-N 1 0 352.523 2.196 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCC[N@@H+]([C@@H](C)CO)CC1 ZINC000364215954 555271931 /nfs/dbraw/zinc/27/19/31/555271931.db2.gz QRJZNNSVINARKM-DLBZAZTESA-N 1 0 365.543 2.040 20 30 FEEDRO C[C@H](C[NH+]1CCCCC1)NC(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 ZINC000512664802 561911569 /nfs/dbraw/zinc/91/15/69/561911569.db2.gz BMSYKVMHJCBANW-QUCCMNQESA-N 1 0 369.513 2.280 20 30 FEEDRO C=CCN(CC=C)C(=O)C[NH2+][C@@H]1CCN(Cc2cnc(C)s2)C[C@@H]1C ZINC000364913564 555435306 /nfs/dbraw/zinc/43/53/06/555435306.db2.gz GVDUKANILBOPNN-MAUKXSAKSA-N 1 0 362.543 2.452 20 30 FEEDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)N[C@@H]3CCCN(c4ccccc4C#N)C3)[C@H]2C1 ZINC000364990312 555458578 /nfs/dbraw/zinc/45/85/78/555458578.db2.gz WLBRYUXFCPDENO-POAQFYNOSA-N 1 0 367.497 2.263 20 30 FEEDRO CC(C)c1nccn1[C@H]1CCCN(S(=O)(=O)c2cccnc2C#N)C1 ZINC000365429185 555573008 /nfs/dbraw/zinc/57/30/08/555573008.db2.gz RFRHRJLRGPDSFT-AWEZNQCLSA-N 1 0 359.455 2.299 20 30 FEEDRO N#Cc1ccccc1N1CCC[C@H](NC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)C1 ZINC000365712443 555648189 /nfs/dbraw/zinc/64/81/89/555648189.db2.gz OROKQXSTWRSTRF-OALUTQOASA-N 1 0 365.481 2.183 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N2C[C@H](C3CCCCC3)C[C@@H]2C(=O)OC)CC1 ZINC000365738605 555655665 /nfs/dbraw/zinc/65/56/65/555655665.db2.gz CYZVVJCKFUVFPT-RTBURBONSA-N 1 0 360.498 2.302 20 30 FEEDRO C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@H](C(=O)Nc2ncccc2C)C1 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365.433 2.487 20 30 FEEDRO COc1cccc([C@H]2[C@H]([NH2+]CCC(=O)N(C)CCC#N)CCN2C2CC2)c1 ZINC000367252094 556003904 /nfs/dbraw/zinc/00/39/04/556003904.db2.gz LBAKZAGQHNGXLH-CTNGQTDRSA-N 1 0 370.497 2.325 20 30 FEEDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1ccc(-n2ncc(C#N)c2N)cc1 ZINC000367464691 556057497 /nfs/dbraw/zinc/05/74/97/556057497.db2.gz IRYVZYQAYBDWAS-KSSFIOAISA-N 1 0 364.453 2.025 20 30 FEEDRO C[C@H](C#N)CN(C)C(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1c1cnn(C)c1 ZINC000367490243 556064556 /nfs/dbraw/zinc/06/45/56/556064556.db2.gz RJUOCIABOPEYSV-AHRSYUTCSA-N 1 0 365.481 2.254 20 30 FEEDRO N#Cc1ccc(CNC(=O)C[N@@H+]2CC[C@@H](c3ccccc3)[C@@H](CO)C2)cc1 ZINC000367532343 556075936 /nfs/dbraw/zinc/07/59/36/556075936.db2.gz ZOAZWOAUUXWIRX-RTWAWAEBSA-N 1 0 363.461 2.272 20 30 FEEDRO CC(C)[C@@H](CNC(=O)[C@]1(C#N)CCc2ccccc2C1)[NH+]1CCN(C)CC1 ZINC000367571753 556086343 /nfs/dbraw/zinc/08/63/43/556086343.db2.gz XYNIJQDKMXAPOL-IFMALSPDSA-N 1 0 368.525 2.073 20 30 FEEDRO C[N@@H+]1C[C@@H]2CN(S(=O)(=O)CCC(C)(C)C#N)C[C@H]2[C@H]1c1ccccc1 ZINC000367708604 556120231 /nfs/dbraw/zinc/12/02/31/556120231.db2.gz VFRYSNKGNLUDBW-KZNAEPCWSA-N 1 0 361.511 2.491 20 30 FEEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CC[C@H](CC(N)=O)C3)sc2C1 ZINC000367987555 556188722 /nfs/dbraw/zinc/18/87/22/556188722.db2.gz FTXGFCFIOOMGTM-QWHCGFSZSA-N 1 0 374.510 2.270 20 30 FEEDRO N#Cc1c(Cl)cccc1S(=O)(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000368106751 556220508 /nfs/dbraw/zinc/22/05/08/556220508.db2.gz BEQPXZRSAOZQEO-CYBMUJFWSA-N 1 0 353.875 2.222 20 30 FEEDRO N#C[C@@H]1CCC[C@@H]([NH2+]C2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)C1 ZINC000368649848 556374053 /nfs/dbraw/zinc/37/40/53/556374053.db2.gz JZTLEDRPLAYRPP-WRWLIDTKSA-N 1 0 369.465 2.489 20 30 FEEDRO C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@H](Cc2nnc3ccccn32)C1 ZINC000368655604 556375257 /nfs/dbraw/zinc/37/52/57/556375257.db2.gz MZUFQHQMVXPEMZ-QGZVFWFLSA-N 1 0 353.470 2.184 20 30 FEEDRO CN(CCC#N)C[C@H](O)C[NH2+][C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 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PIQWOGPNFDXSER-INIZCTEOSA-N 1 0 367.453 2.488 20 30 FEEDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)N2CCC(C#N)(c3ccccn3)CC2)C1 ZINC000517589607 562093277 /nfs/dbraw/zinc/09/32/77/562093277.db2.gz STZASGIRCSSYJL-KRWDZBQOSA-N 1 0 355.486 2.379 20 30 FEEDRO C[NH+]1CCC(C#N)(NC(=O)[C@H]2CCCN(C(=O)Nc3ccccc3)C2)CC1 ZINC000518026006 562102780 /nfs/dbraw/zinc/10/27/80/562102780.db2.gz WDILUOXLNYPSOQ-INIZCTEOSA-N 1 0 369.469 2.035 20 30 FEEDRO COCCOc1ccc(C#N)cc1NC(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000371765905 557287271 /nfs/dbraw/zinc/28/72/71/557287271.db2.gz LXLQYCHQEHLKGF-JKSUJKDBSA-N 1 0 358.442 2.332 20 30 FEEDRO C=C(C)[C@H](CC(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1)OCC ZINC000371783287 557292397 /nfs/dbraw/zinc/29/23/97/557292397.db2.gz HNCJFWKIIGFJEI-SFHVURJKSA-N 1 0 351.535 2.234 20 30 FEEDRO CSc1ccc(CC[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)cc1 ZINC000518520333 562113568 /nfs/dbraw/zinc/11/35/68/562113568.db2.gz HYEOSEREXMXWSD-UHFFFAOYSA-N 1 0 361.492 2.281 20 30 FEEDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)C(=O)Nc1cc(C#N)ccc1OCC ZINC000518265721 562107390 /nfs/dbraw/zinc/10/73/90/562107390.db2.gz UAWJENYRFBHUNR-CQSZACIVSA-N 1 0 360.458 2.132 20 30 FEEDRO N#Cc1ccc(N2CCC[C@H]([NH+]3CCC(O[C@@H]4CCOC4)CC3)C2=O)cc1 ZINC000518812879 562119267 /nfs/dbraw/zinc/11/92/67/562119267.db2.gz VHYPCJWAIJPPAZ-UXHICEINSA-N 1 0 369.465 2.324 20 30 FEEDRO CCO[C@@H](C)c1noc(CN2CCCN(c3nc(C)ccc3C#N)CC2)n1 ZINC000372318788 557438047 /nfs/dbraw/zinc/43/80/47/557438047.db2.gz OLCCGUODDATDOE-HNNXBMFYSA-N 1 0 370.457 2.455 20 30 FEEDRO C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1NCC(=O)Nc1sccc1C#N ZINC000372360895 557449645 /nfs/dbraw/zinc/44/96/45/557449645.db2.gz XQTAKGZBFYDTPI-FVQBIDKESA-N 1 0 362.499 2.037 20 30 FEEDRO C[C@H](C#N)Oc1ccc(C[NH+]2CCC(N3C(=O)CCCC3=O)CC2)cc1 ZINC000372480051 557481538 /nfs/dbraw/zinc/48/15/38/557481538.db2.gz BAPSUUPLRMNGLV-OAHLLOKOSA-N 1 0 355.438 2.481 20 30 FEEDRO N#Cc1ccc(NC(=O)C(=O)N2CCC[C@@H]([NH2+]Cc3ccccc3)C2)cc1 ZINC000372616910 557522264 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CSc1cc2c(cc1C[NH+]1CCC(n3cnc(C#N)n3)CC1)OCCO2 ZINC000373465749 557698627 /nfs/dbraw/zinc/69/86/27/557698627.db2.gz MCTQKQKKIIBTKY-UHFFFAOYSA-N 1 0 371.466 2.480 20 30 FEEDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccccc2SCCC#N)C1 ZINC000520843318 562165002 /nfs/dbraw/zinc/16/50/02/562165002.db2.gz QFKGAAHEJQUXAK-HNNXBMFYSA-N 1 0 374.510 2.477 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H]2c2cccc(C)n2)CC1 ZINC000520859995 562165299 /nfs/dbraw/zinc/16/52/99/562165299.db2.gz MLNKLLDBMZYPIH-IBGZPJMESA-N 1 0 370.497 2.210 20 30 FEEDRO C=CCN1CC[C@@H]([NH+]2CCC(c3c[nH]c4ccc(C(N)=O)cc43)CC2)C1=O ZINC000374172035 557836905 /nfs/dbraw/zinc/83/69/05/557836905.db2.gz KSPWFDIAFQHTTB-LJQANCHMSA-N 1 0 366.465 2.233 20 30 FEEDRO CCN(C[C@H](C)C#N)S(=O)(=O)NC1CC[NH+](Cc2cccs2)CC1 ZINC000374400141 557879064 /nfs/dbraw/zinc/87/90/64/557879064.db2.gz FGVPYXRQCPRVRK-CQSZACIVSA-N 1 0 370.544 2.028 20 30 FEEDRO N#Cc1cc(S(=O)(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)ccc1C(F)(F)F ZINC000374462240 557887038 /nfs/dbraw/zinc/88/70/38/557887038.db2.gz LILXFXACRAZVDV-CYBMUJFWSA-N 1 0 373.400 2.436 20 30 FEEDRO C=CCN1CC[C@H]([NH2+][C@@H]2CCN(C3CC3)[C@@H]2c2cccc(OC)c2)C1=O ZINC000374845480 557940008 /nfs/dbraw/zinc/94/00/08/557940008.db2.gz WNSMRPARZLJESR-HSALFYBXSA-N 1 0 355.482 2.350 20 30 FEEDRO N#Cc1ccc(OCCC[NH+]2CCC(N3C(=O)CCCC3=O)CC2)cc1 ZINC000375329650 558010064 /nfs/dbraw/zinc/01/00/64/558010064.db2.gz UYCCKNRAXORQPW-UHFFFAOYSA-N 1 0 355.438 2.331 20 30 FEEDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1S(=O)(=O)c1cccc(Cl)c1C#N ZINC000375635168 558060407 /nfs/dbraw/zinc/06/04/07/558060407.db2.gz AIISUQIHWXATFM-CHWSQXEVSA-N 1 0 353.875 2.459 20 30 FEEDRO C=C(C)[C@H]1OCCC[C@H]1C(=O)NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000375748699 558076645 /nfs/dbraw/zinc/07/66/45/558076645.db2.gz JOYAYTZWFWGNHV-VNTMZGSJSA-N 1 0 358.482 2.109 20 30 FEEDRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(C)(C)c3cc(F)cc(C#N)c3)CC2)C1 ZINC000375757643 558078222 /nfs/dbraw/zinc/07/82/22/558078222.db2.gz MCJRQVMFKGMJFO-IBGZPJMESA-N 1 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C=CCOc1ccc(/C=C/C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc1OC ZINC000377472991 558346972 /nfs/dbraw/zinc/34/69/72/558346972.db2.gz PZWIBOOHIXICIC-AZGCOUAMSA-N 1 0 372.465 2.253 20 30 FEEDRO CC(C)(C)OC(=O)N1CC[C@H](N2CC[NH+](CCCSCC#N)CC2)C1 ZINC000377521681 558356632 /nfs/dbraw/zinc/35/66/32/558356632.db2.gz ZJDSBBXLRNJNDN-INIZCTEOSA-N 1 0 368.547 2.260 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC[C@@H](NC(=O)CC)C1)C(C)C ZINC000522802715 562203950 /nfs/dbraw/zinc/20/39/50/562203950.db2.gz DHAULMSDCPSZMW-QZTJIDSGSA-N 1 0 364.534 2.385 20 30 FEEDRO CC[NH+]1CCC(N(C2CC2)S(=O)(=O)c2ccc(F)cc2C#N)CC1 ZINC000378229579 558506974 /nfs/dbraw/zinc/50/69/74/558506974.db2.gz PNGISPDLWZMMSX-UHFFFAOYSA-N 1 0 351.447 2.335 20 30 FEEDRO Cc1cc(NC(=O)[C@H]2CCC[N@H+](Cc3cccnc3)C2)n(CCC#N)n1 ZINC000523340558 562211563 /nfs/dbraw/zinc/21/15/63/562211563.db2.gz JSQNHMNSSJQNRZ-KRWDZBQOSA-N 1 0 352.442 2.351 20 30 FEEDRO CC(=O)N1CCCCC[C@@H]1C1CC[NH+](CCC(=O)N(C)CCC#N)CC1 ZINC000378413644 558551515 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2.327 20 30 FEEDRO Cc1ncc(S(=O)(=O)NCCC[N@@H+](C)Cc2ccccc2)cc1C#N ZINC000386145129 558607003 /nfs/dbraw/zinc/60/70/03/558607003.db2.gz OEJJMKIYAXCDFB-UHFFFAOYSA-N 1 0 358.467 2.062 20 30 FEEDRO N#Cc1cnc(NCC2(O)CC[NH+](Cc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000397635513 558624951 /nfs/dbraw/zinc/62/49/51/558624951.db2.gz PPYRADBZFCPDMD-UHFFFAOYSA-N 1 0 367.409 2.300 20 30 FEEDRO C[N@@H+]1CCO[C@H]2CN(c3nc4c(c(C#N)c3C#N)CCCCCC4)C[C@H]21 ZINC000408332652 558667253 /nfs/dbraw/zinc/66/72/53/558667253.db2.gz YDNHNFFCMYFFIX-MOPGFXCFSA-N 1 0 351.454 2.003 20 30 FEEDRO C[C@@H](C(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1)n1cnc(C#N)n1 ZINC000409458573 558694025 /nfs/dbraw/zinc/69/40/25/558694025.db2.gz IASSKIMLSIFNES-HOTGVXAUSA-N 1 0 366.469 2.259 20 30 FEEDRO CCN(CCC#N)S(=O)(=O)N[C@H](C[N@H+](C)Cc1ccccc1)C(C)C ZINC000409509287 558698947 /nfs/dbraw/zinc/69/89/47/558698947.db2.gz IWJLGHWJVVRWFV-GOSISDBHSA-N 1 0 366.531 2.213 20 30 FEEDRO CCN(CCC#N)S(=O)(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000409584805 558705226 /nfs/dbraw/zinc/70/52/26/558705226.db2.gz YQTPPKYFUPKXSF-GOSISDBHSA-N 1 0 364.515 2.111 20 30 FEEDRO COC(=O)CC[N@@H+]1CCN(c2ccc(C(F)(F)F)c(C#N)n2)[C@H](C)C1 ZINC000409734525 558717538 /nfs/dbraw/zinc/71/75/38/558717538.db2.gz WVEQZJQUCDCYAY-LLVKDONJSA-N 1 0 356.348 2.046 20 30 FEEDRO CCN(C(=O)[C@H](C)n1cnc(C#N)n1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000409841660 558722310 /nfs/dbraw/zinc/72/23/10/558722310.db2.gz XGQYPUOUWUMMJB-BQFCYCMXSA-N 1 0 366.469 2.395 20 30 FEEDRO CCN(C[C@@H](C)C#N)S(=O)(=O)NCC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000410160304 558742990 /nfs/dbraw/zinc/74/29/90/558742990.db2.gz YDYYHLDSQFUSNC-DLBZAZTESA-N 1 0 366.531 2.213 20 30 FEEDRO CCN(C[C@@H](C)C#N)S(=O)(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000410160306 558742998 /nfs/dbraw/zinc/74/29/98/558742998.db2.gz YDYYHLDSQFUSNC-IRXDYDNUSA-N 1 0 366.531 2.213 20 30 FEEDRO CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000410161737 558743378 /nfs/dbraw/zinc/74/33/78/558743378.db2.gz LYVGCVCSRQOCBA-SJLPKXTDSA-N 1 0 370.563 2.347 20 30 FEEDRO C=C(C)CN(C)C(=O)C(=O)N(CC)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000410870913 558818315 /nfs/dbraw/zinc/81/83/15/558818315.db2.gz JKAIKESLVJPDCM-IBGZPJMESA-N 1 0 357.498 2.392 20 30 FEEDRO C=CC1CCN(C(=O)C(=O)Nc2ccc(OCC[NH+](C)C)c(F)c2)CC1 ZINC000411216610 558854667 /nfs/dbraw/zinc/85/46/67/558854667.db2.gz JVNKPYWZZRCYQB-UHFFFAOYSA-N 1 0 363.433 2.129 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]([C@H](C)CC)C(F)(F)F)CC1 ZINC000411229120 558856697 /nfs/dbraw/zinc/85/66/97/558856697.db2.gz PVLQWBBSWSPHKV-OCCSQVGLSA-N 1 0 363.424 2.236 20 30 FEEDRO C=C[C@H]1CCCCN1C(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(F)c1 ZINC000411480549 558901765 /nfs/dbraw/zinc/90/17/65/558901765.db2.gz WCNBCCUNESJAOR-HNNXBMFYSA-N 1 0 363.433 2.272 20 30 FEEDRO CCO[C@H]1COCC[C@H]1[NH2+]CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000411556401 558916648 /nfs/dbraw/zinc/91/66/48/558916648.db2.gz IMYFKARYMGQPJC-CVEARBPZSA-N 1 0 351.834 2.324 20 30 FEEDRO C[C@@H](c1ccccc1)[C@H]([NH2+]CCC(=O)Nc1cccc(C#N)c1)C(N)=O ZINC000411754628 558957002 /nfs/dbraw/zinc/95/70/02/558957002.db2.gz HNDGWBMKJRHOHR-LIRRHRJNSA-N 1 0 350.422 2.134 20 30 FEEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH2+][C@@H](CO)[C@H]2CCCOC2)c1 ZINC000411996667 559000717 /nfs/dbraw/zinc/00/07/17/559000717.db2.gz SLODUWGFYQFBDT-BJLQDIEVSA-N 1 0 373.497 2.316 20 30 FEEDRO C[C@H]1CN(c2cc(C(F)(F)F)cnc2C#N)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000413217142 559089179 /nfs/dbraw/zinc/08/91/79/559089179.db2.gz XQJYCUKJRREUTA-BBRMVZONSA-N 1 0 367.419 2.434 20 30 FEEDRO C=CC[C@@H](Cc1ccccc1)NC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000413298787 559096921 /nfs/dbraw/zinc/09/69/21/559096921.db2.gz SWLNEXVCHNNSFH-MOPGFXCFSA-N 1 0 372.513 2.060 20 30 FEEDRO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCC[C@H](CNC(=O)c2ccccc2)C1 ZINC000527048443 562274515 /nfs/dbraw/zinc/27/45/15/562274515.db2.gz SRFDRPDFHKGIBF-IAGOWNOFSA-N 1 0 368.481 2.079 20 30 FEEDRO Cc1nc2c(C#N)cnn2c(C)c1CCc1nc([C@H]([NH3+])CC(C)C)no1 ZINC000414619906 559175905 /nfs/dbraw/zinc/17/59/05/559175905.db2.gz OTDDJXVLROSZDM-OAHLLOKOSA-N 1 0 353.430 2.432 20 30 FEEDRO C=CCOc1cccc(NC(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])c1 ZINC000415009270 559200367 /nfs/dbraw/zinc/20/03/67/559200367.db2.gz FFSCCVJJVTZPMB-INIZCTEOSA-N 1 0 360.458 2.103 20 30 FEEDRO N#Cc1ccccc1Oc1ccc(NC(=O)NC[C@@H]2C[NH2+]CCO2)cc1 ZINC000415010464 559200376 /nfs/dbraw/zinc/20/03/76/559200376.db2.gz PFNOYYQEKHJCRW-KRWDZBQOSA-N 1 0 352.394 2.460 20 30 FEEDRO C[N@@H+]1CCC[C@H](CNC(=O)NC2CCC(Oc3ncccc3C#N)CC2)C1 ZINC000527103176 562276544 /nfs/dbraw/zinc/27/65/44/562276544.db2.gz PUEROWNKTLIDSB-FAEJEUNOSA-N 1 0 371.485 2.284 20 30 FEEDRO N#Cc1cccc(Oc2ccc(NC(=O)NC[C@H]3C[NH2+]CCO3)cc2)c1 ZINC000415167950 559211137 /nfs/dbraw/zinc/21/11/37/559211137.db2.gz ULAGFVFHEYGEKQ-GOSISDBHSA-N 1 0 352.394 2.460 20 30 FEEDRO C[NH2+]Cc1cccc(NC(=O)C(=O)N(Cc2ccc(C#N)cc2)C2CC2)c1 ZINC000415174196 559211864 /nfs/dbraw/zinc/21/18/64/559211864.db2.gz CGHZBHQKJBSWIJ-UHFFFAOYSA-N 1 0 362.433 2.407 20 30 FEEDRO N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C(=O)NCCC[NH3+] ZINC000415295418 559221785 /nfs/dbraw/zinc/22/17/85/559221785.db2.gz SAZVKDKNFPJOJC-UHFFFAOYSA-N 1 0 374.388 2.115 20 30 FEEDRO CC[NH2+]CCNC(=O)C(=O)Nc1sc2c(c1C#N)CC[C@H](C(C)C)C2 ZINC000415372392 559228384 /nfs/dbraw/zinc/22/83/84/559228384.db2.gz UVJLZOLMXDNTJR-LBPRGKRZSA-N 1 0 362.499 2.045 20 30 FEEDRO N#Cc1ccc(Oc2cccc(NC(=O)C(=O)NC[C@@H]3CCC[NH2+]3)c2)cc1 ZINC000415386532 559229903 /nfs/dbraw/zinc/22/99/03/559229903.db2.gz WYPOKVCDLDQHRG-INIZCTEOSA-N 1 0 364.405 2.157 20 30 FEEDRO O=C(NCC[C@H]1CC[NH2+]C1)C(=O)Nc1cccc(C#Cc2ccccc2)c1 ZINC000415390652 559230348 /nfs/dbraw/zinc/23/03/48/559230348.db2.gz HWBVKVCFSQKPNM-LJQANCHMSA-N 1 0 361.445 2.141 20 30 FEEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000415414492 559232940 /nfs/dbraw/zinc/23/29/40/559232940.db2.gz ZUSVOLPBQDLGLP-CABCVRRESA-N 1 0 374.510 2.383 20 30 FEEDRO CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000415420482 559233805 /nfs/dbraw/zinc/23/38/05/559233805.db2.gz AOMQNTWLGUTLIG-OAHLLOKOSA-N 1 0 359.474 2.077 20 30 FEEDRO N#Cc1c(F)cccc1-n1ccc(NC(=O)N[C@H](C[NH3+])C2CCCCC2)n1 ZINC000415440706 559237276 /nfs/dbraw/zinc/23/72/76/559237276.db2.gz OOAIMKVQVWKBNI-MRXNPFEDSA-N 1 0 370.432 2.912 20 30 FEEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000415467776 559240425 /nfs/dbraw/zinc/24/04/25/559240425.db2.gz VCYVUDKTVRGNNJ-MGPQQGTHSA-N 1 0 360.483 2.215 20 30 FEEDRO COCCOc1ccc(C#N)cc1NC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000415472703 559241133 /nfs/dbraw/zinc/24/11/33/559241133.db2.gz YLXCBERDNFBCBI-SHTZXODSSA-N 1 0 360.458 2.470 20 30 FEEDRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)Nc1ccccc1C#Cc1ccccc1 ZINC000415481498 559241863 /nfs/dbraw/zinc/24/18/63/559241863.db2.gz AUTUIVSJWAITFJ-IBGZPJMESA-N 1 0 361.445 2.235 20 30 FEEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000415490960 559242808 /nfs/dbraw/zinc/24/28/08/559242808.db2.gz AVAAFAZYYYJMGQ-HNNXBMFYSA-N 1 0 360.458 2.116 20 30 FEEDRO CCC[NH2+]CCNC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000415521212 559246115 /nfs/dbraw/zinc/24/61/15/559246115.db2.gz SQHSKDHWJLBEQI-UHFFFAOYSA-N 1 0 366.421 2.405 20 30 FEEDRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)Nc2cccc(C#Cc3ccccc3)c2)C1 ZINC000415588528 559253162 /nfs/dbraw/zinc/25/31/62/559253162.db2.gz ZZXBXWUUONPHID-QFBILLFUSA-N 1 0 361.445 2.221 20 30 FEEDRO CC(C)(C#N)c1ccc(NC(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)cc1 ZINC000415671187 559260336 /nfs/dbraw/zinc/26/03/36/559260336.db2.gz FZJMSYDOJWHKBK-MRXNPFEDSA-N 1 0 356.470 2.321 20 30 FEEDRO O=C(Nc1ccccc1C#Cc1ccccc1)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000415736858 559266107 /nfs/dbraw/zinc/26/61/07/559266107.db2.gz BZRNTKKMMRRIOP-PMACEKPBSA-N 1 0 373.456 2.093 20 30 FEEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000415767334 559269301 /nfs/dbraw/zinc/26/93/01/559269301.db2.gz MPWGXRXWHHKJMG-QLFBSQMISA-N 1 0 372.494 2.087 20 30 FEEDRO C[C@@H]1CCN(C(=O)C(=O)Nc2ccccc2SCCC#N)C[C@H]1C[NH3+] ZINC000415848006 559278054 /nfs/dbraw/zinc/27/80/54/559278054.db2.gz LJTXYOQAHXOZSJ-ZIAGYGMSSA-N 1 0 360.483 2.074 20 30 FEEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000415856079 559279025 /nfs/dbraw/zinc/27/90/25/559279025.db2.gz ZHWGJELUMXEUCO-RBSFLKMASA-N 1 0 374.510 2.463 20 30 FEEDRO CC[N@H+](CCNS(=O)(=O)c1cc(Br)ccc1C#N)C1CC1 ZINC000416380061 559308712 /nfs/dbraw/zinc/30/87/12/559308712.db2.gz AKIYLLAHNGPFNH-UHFFFAOYSA-N 1 0 372.288 2.083 20 30 FEEDRO COC(=O)[C@@H]1CN(C(=O)Nc2ccc(C(C)(C)C#N)cc2)CC[N@H+](C)C1 ZINC000416759651 559331537 /nfs/dbraw/zinc/33/15/37/559331537.db2.gz MQDWEORVKAMUBM-AWEZNQCLSA-N 1 0 358.442 2.056 20 30 FEEDRO CC1(CNC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)CC[NH2+]CC1 ZINC000417575778 559367256 /nfs/dbraw/zinc/36/72/56/559367256.db2.gz JUEPSQBESMFHGA-INIZCTEOSA-N 1 0 373.476 2.355 20 30 FEEDRO C[NH2+]C[C@H]1CCCN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)C1 ZINC000417578738 559367344 /nfs/dbraw/zinc/36/73/44/559367344.db2.gz OFNPTZMWBGLOLS-SJORKVTESA-N 1 0 373.476 2.307 20 30 FEEDRO N#Cc1ccc(N2CCC[C@H](NC(=O)N[C@@H]3CCC[C@H]3C[NH3+])C2)c(F)c1 ZINC000417581307 559367835 /nfs/dbraw/zinc/36/78/35/559367835.db2.gz SKXDQMIVRLPMBL-YQQAZPJKSA-N 1 0 359.449 2.093 20 30 FEEDRO N#Cc1ccc(OCCNC(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)cc1 ZINC000417772718 559375929 /nfs/dbraw/zinc/37/59/29/559375929.db2.gz YXVNRDQHXMUWJM-UHFFFAOYSA-N 1 0 368.481 2.390 20 30 FEEDRO CC(C)[C@H]([NH3+])CCN(C)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000418012111 559386523 /nfs/dbraw/zinc/38/65/23/559386523.db2.gz RSQOZUNIDPSLNQ-MSOLQXFVSA-N 1 0 371.485 2.068 20 30 FEEDRO C=CCC1(CNC(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)CCCC1 ZINC000418264086 559395873 /nfs/dbraw/zinc/39/58/73/559395873.db2.gz SJTDICRAHWXCQU-AEFFLSMTSA-N 1 0 362.518 2.069 20 30 FEEDRO C=CCC1(CNC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CCCC1 ZINC000418262450 559395907 /nfs/dbraw/zinc/39/59/07/559395907.db2.gz QRKPBFUWFXYHBG-AWEZNQCLSA-N 1 0 362.440 2.258 20 30 FEEDRO C=CCN(Cc1ccccc1)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418609909 559407808 /nfs/dbraw/zinc/40/78/08/559407808.db2.gz GEDXBVSOLVJBGL-MRXNPFEDSA-N 1 0 370.419 2.220 20 30 FEEDRO COCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000418640417 559408969 /nfs/dbraw/zinc/40/89/69/559408969.db2.gz MRFBZYRDCMHPPN-SFHVURJKSA-N 1 0 358.486 2.494 20 30 FEEDRO N#Cc1ccc(N2CCN(C(=O)NC[C@@H]3CCC[C@@H]([NH3+])C3)CC2)c(F)c1 ZINC000418732773 559412957 /nfs/dbraw/zinc/41/29/57/559412957.db2.gz UVNPMKYSNOCTHH-HZPDHXFCSA-N 1 0 359.449 2.046 20 30 FEEDRO N#Cc1ccc(N2CCN(C(=O)NC[C@H]3CCC[C@H]([NH3+])C3)CC2)c(F)c1 ZINC000418732771 559413057 /nfs/dbraw/zinc/41/30/57/559413057.db2.gz UVNPMKYSNOCTHH-HOTGVXAUSA-N 1 0 359.449 2.046 20 30 FEEDRO C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000419054799 559426376 /nfs/dbraw/zinc/42/63/76/559426376.db2.gz IKAIRJOXZMFSQU-MSOLQXFVSA-N 1 0 357.498 2.184 20 30 FEEDRO C[C@@H]([NH3+])c1ccc(CNC(=O)C(=O)N[C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000419297305 559435676 /nfs/dbraw/zinc/43/56/76/559435676.db2.gz YSPBWKOWEYQURG-KGLIPLIRSA-N 1 0 350.422 2.072 20 30 FEEDRO C[NH+](C)CCN1CCC(NC(=O)N[C@@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000419402594 559440727 /nfs/dbraw/zinc/44/07/27/559440727.db2.gz CHUWWTBHCOZBMN-HXUWFJFHSA-N 1 0 369.513 2.261 20 30 FEEDRO CN1CC[N@H+](CCCNC(=O)NCC2(C#N)CCC2)[C@@H](c2ccccc2)C1 ZINC000419417605 559441260 /nfs/dbraw/zinc/44/12/60/559441260.db2.gz HWPPCAQSFARGTF-LJQANCHMSA-N 1 0 369.513 2.358 20 30 FEEDRO N#CCC[C@H](NC(=O)C(=O)NCc1ccc2c(c1)C[NH2+]C2)c1ccccc1 ZINC000419477223 559444411 /nfs/dbraw/zinc/44/44/11/559444411.db2.gz REEVPNUAQKLNMZ-IBGZPJMESA-N 1 0 362.433 2.067 20 30 FEEDRO C=C(C)[C@H](NC(=O)C(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1)c1ccc(F)c(F)c1 ZINC000419668488 559452725 /nfs/dbraw/zinc/45/27/25/559452725.db2.gz AKWMEEVWZZJMTE-IFIJOSMWSA-N 1 0 365.424 2.284 20 30 FEEDRO C=C(C)[C@H](NC(=O)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+])c1ccc(F)c(F)c1 ZINC000419668884 559452769 /nfs/dbraw/zinc/45/27/69/559452769.db2.gz ATJFTPCFBAGOPA-COXVUDFISA-N 1 0 365.424 2.332 20 30 FEEDRO C=C(C)[C@@H](NC(=O)C(=O)NC1CCC([NH3+])CC1)c1ccc(F)c(F)c1 ZINC000419679855 559453697 /nfs/dbraw/zinc/45/36/97/559453697.db2.gz QDGQJTJZEASBDJ-SEEARECTSA-N 1 0 351.397 2.084 20 30 FEEDRO C=C(C)[C@@H](NC(=O)C(=O)NCC([NH3+])(CC)CC)c1ccc(F)c(F)c1 ZINC000419681588 559453772 /nfs/dbraw/zinc/45/37/72/559453772.db2.gz RZSULCQJERMMCU-OAHLLOKOSA-N 1 0 353.413 2.332 20 30 FEEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)NC1CCC([NH3+])CC1 ZINC000419879909 559463239 /nfs/dbraw/zinc/46/32/39/559463239.db2.gz RZASXLRKQIQFEL-UHFFFAOYSA-N 1 0 355.891 2.302 20 30 FEEDRO CCCC[C@H](C[NH3+])NS(=O)(=O)c1cccc(Br)c1C#N ZINC000420447285 559487779 /nfs/dbraw/zinc/48/77/79/559487779.db2.gz IMLFTYXYEDYLQZ-SNVBAGLBSA-N 1 0 360.277 2.117 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c(Cl)c1 ZINC000420450837 559488012 /nfs/dbraw/zinc/48/80/12/559488012.db2.gz HMZWTDWGVNJGNN-UONOGXRCSA-N 1 0 353.875 2.222 20 30 FEEDRO N#Cc1c(Cl)cccc1S(=O)(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420457527 559488517 /nfs/dbraw/zinc/48/85/17/559488517.db2.gz OSWRJZWPIFRXIK-QWHCGFSZSA-N 1 0 353.875 2.222 20 30 FEEDRO CCCN1C[C@H](C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CC1=O ZINC000421348542 559539749 /nfs/dbraw/zinc/53/97/49/559539749.db2.gz HPMWMLKJXATUMI-IBGZPJMESA-N 1 0 354.498 2.371 20 30 FEEDRO N#Cc1ccc(C[NH2+][C@@H]2CCN(C(=O)COc3ccccc3)C2)cc1F ZINC000421358426 559540128 /nfs/dbraw/zinc/54/01/28/559540128.db2.gz SXSUEYMQNFWJKF-QGZVFWFLSA-N 1 0 353.397 2.467 20 30 FEEDRO C[C@H](C(=O)NC1(C#N)CCC1)N1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000527299981 562284193 /nfs/dbraw/zinc/28/41/93/562284193.db2.gz PVAIQQQAGRNFEJ-CVEARBPZSA-N 1 0 370.501 2.135 20 30 FEEDRO C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000422083601 559564168 /nfs/dbraw/zinc/56/41/68/559564168.db2.gz IXDHFDFFMYLMOF-CEXWTWQISA-N 1 0 355.482 2.033 20 30 FEEDRO CC(C)(CC#N)CNC(=O)C(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000422493324 559591972 /nfs/dbraw/zinc/59/19/72/559591972.db2.gz YCKONNBFVWMXAS-UHFFFAOYSA-N 1 0 362.518 2.157 20 30 FEEDRO C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000422524874 559592757 /nfs/dbraw/zinc/59/27/57/559592757.db2.gz HCFLZNKABZXGHO-LJQANCHMSA-N 1 0 357.498 2.090 20 30 FEEDRO C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000422529364 559593161 /nfs/dbraw/zinc/59/31/61/559593161.db2.gz OYEGQRNIQOQQSB-VAMGGRTRSA-N 1 0 369.509 2.233 20 30 FEEDRO C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N1CCC([NH2+]C(C)C)CC1 ZINC000422529400 559593185 /nfs/dbraw/zinc/59/31/85/559593185.db2.gz PBECIQVQXYJGFM-LJQANCHMSA-N 1 0 357.498 2.279 20 30 FEEDRO C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000422538214 559593688 /nfs/dbraw/zinc/59/36/88/559593688.db2.gz GGEVPEQPSPQZBR-IBGZPJMESA-N 1 0 369.509 2.377 20 30 FEEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N1C[C@H](C)[NH2+][C@@H](C)C1 ZINC000423021690 559615370 /nfs/dbraw/zinc/61/53/70/559615370.db2.gz FZCBLJNMAKGAHH-RYUDHWBXSA-N 1 0 355.891 2.125 20 30 FEEDRO C=CCN(CCc1ccccc1)C(=O)C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000423186229 559622264 /nfs/dbraw/zinc/62/22/64/559622264.db2.gz KQRGPHQRNULPGY-UHFFFAOYSA-N 1 0 369.509 2.236 20 30 FEEDRO Cc1ccc(CNC(=O)C2CCN(C(=O)[C@@H]([NH3+])CCCC#N)CC2)cc1F ZINC000424087850 559654385 /nfs/dbraw/zinc/65/43/85/559654385.db2.gz GCYLPVQUCIEEMF-SFHVURJKSA-N 1 0 374.460 2.010 20 30 FEEDRO COc1cccc(OC)c1OC1CCN(C(=O)[C@@H]([NH3+])CCCC#N)CC1 ZINC000424090501 559654510 /nfs/dbraw/zinc/65/45/10/559654510.db2.gz KMVMPVAQBBOBRG-HNNXBMFYSA-N 1 0 361.442 2.095 20 30 FEEDRO C=CCN(C(=O)CC[C@H]([NH3+])CC1CCCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000424102154 559654902 /nfs/dbraw/zinc/65/49/02/559654902.db2.gz OBNPSMBDGOXOFZ-DLBZAZTESA-N 1 0 356.532 2.266 20 30 FEEDRO CCOc1cc2c(cc1[C@@H]1C[C@@H]1NC(=O)[C@H]([NH3+])CCCC#N)O[C@@H](C)C2 ZINC000424135192 559655770 /nfs/dbraw/zinc/65/57/70/559655770.db2.gz JANBBYMSYYGDGF-SDNTUTLCSA-N 1 0 357.454 2.402 20 30 FEEDRO N#CCCC[C@@H]([NH3+])C(=O)N[C@@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000424139827 559655898 /nfs/dbraw/zinc/65/58/98/559655898.db2.gz FNVDNYFRZSLODN-CXAGYDPISA-N 1 0 350.413 2.067 20 30 FEEDRO COc1ccc(Cl)cc1N1CC[C@@H](NC(=O)[C@H]([NH3+])CCCC#N)C1 ZINC000424151048 559656189 /nfs/dbraw/zinc/65/61/89/559656189.db2.gz GZODLJXHRDPETK-ZIAGYGMSSA-N 1 0 350.850 2.065 20 30 FEEDRO COCCOc1ccc(Br)cc1NC(=O)[C@H]([NH3+])CCCC#N ZINC000424169788 559656701 /nfs/dbraw/zinc/65/67/01/559656701.db2.gz ANJWBTMMUYFTOB-GFCCVEGCSA-N 1 0 370.247 2.434 20 30 FEEDRO C=CCn1cc(CNCc2cc(Br)c(O)c(OC)c2)nn1 ZINC000424175215 559656778 /nfs/dbraw/zinc/65/67/78/559656778.db2.gz SZEBBOTVGKJKEN-UHFFFAOYSA-N 1 0 353.220 2.231 20 30 FEEDRO CN1CC[C@@H](C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)CC1=O ZINC000424184666 559657141 /nfs/dbraw/zinc/65/71/41/559657141.db2.gz DREASPBIRDMCOC-MRXNPFEDSA-N 1 0 351.454 2.422 20 30 FEEDRO C=CCn1cc(CNC(=O)NC[C@H](c2ccsc2)[NH+](CC)CC)nn1 ZINC000425404535 559700362 /nfs/dbraw/zinc/70/03/62/559700362.db2.gz LUHAJKKCDZHNBP-MRXNPFEDSA-N 1 0 362.503 2.408 20 30 FEEDRO C=CCn1cc(CNC(=O)NC[C@]2(C)CCC[N@@H+]2Cc2ccccc2)nn1 ZINC000425514742 559707270 /nfs/dbraw/zinc/70/72/70/559707270.db2.gz VHGKTHKDAISVFC-FQEVSTJZSA-N 1 0 368.485 2.318 20 30 FEEDRO CCOC(=O)[C@@H]1CCCCN1C(=O)CN(C)[C@H](C)c1cccc(C#N)c1 ZINC000425543038 559708717 /nfs/dbraw/zinc/70/87/17/559708717.db2.gz RKKKNOUTYMHTPU-QAPCUYQASA-N 1 0 357.454 2.495 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCC[C@H](n2ccnn2)C1)C(C)C ZINC000425659884 559713605 /nfs/dbraw/zinc/71/36/05/559713605.db2.gz WQPSJCICSQWQJB-ROUUACIJSA-N 1 0 360.506 2.323 20 30 FEEDRO C=CCn1cc(CNC(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)nn1 ZINC000425676439 559714409 /nfs/dbraw/zinc/71/44/09/559714409.db2.gz SFOJXCGPBHHEOK-HNNXBMFYSA-N 1 0 356.474 2.393 20 30 FEEDRO C[C@H](CCNC(=O)C(=O)N(C)[C@H](C)c1cccc(C#N)c1)[NH+]1CCCCC1 ZINC000425884139 559723963 /nfs/dbraw/zinc/72/39/63/559723963.db2.gz GFRVFUJOIWSAHW-IAGOWNOFSA-N 1 0 370.497 2.458 20 30 FEEDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N(C)[C@@H](C)c1cccc(C#N)c1 ZINC000425889709 559724072 /nfs/dbraw/zinc/72/40/72/559724072.db2.gz VHYYWUAXRSXDKM-MAUKXSAKSA-N 1 0 356.470 2.068 20 30 FEEDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N(C)[C@H](C)c1cccc(C#N)c1 ZINC000425889711 559724076 /nfs/dbraw/zinc/72/40/76/559724076.db2.gz VHYYWUAXRSXDKM-QAPCUYQASA-N 1 0 356.470 2.068 20 30 FEEDRO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000425910556 559725059 /nfs/dbraw/zinc/72/50/59/559725059.db2.gz WNSIXIJMVVPWFB-MAUKXSAKSA-N 1 0 370.497 2.314 20 30 FEEDRO CC[NH+](CC)CCOC1CCN(C(=O)CNc2cccc(C#N)c2)CC1 ZINC000426875815 559743514 /nfs/dbraw/zinc/74/35/14/559743514.db2.gz PLWRTDPRZVYVSN-UHFFFAOYSA-N 1 0 358.486 2.320 20 30 FEEDRO C[NH+](C)C[C@@H](O)COc1ccc(NC(=O)Cc2ccc(C#N)cc2)cc1 ZINC000426884144 559743684 /nfs/dbraw/zinc/74/36/84/559743684.db2.gz SAYZIUWXHRFBMC-GOSISDBHSA-N 1 0 353.422 2.041 20 30 FEEDRO Cc1cccc(CN(CC[NH+](C)C)S(=O)(=O)c2cccnc2C#N)c1 ZINC000428248224 559772178 /nfs/dbraw/zinc/77/21/78/559772178.db2.gz BUPSFKHPBWYKNX-UHFFFAOYSA-N 1 0 358.467 2.014 20 30 FEEDRO C[C@H]([NH2+][C@H](CO)c1ccc(Br)cc1)C(=O)NC1(C#N)CCC1 ZINC000428774423 559782949 /nfs/dbraw/zinc/78/29/49/559782949.db2.gz WAZZBGSYQGWNKL-SMDDNHRTSA-N 1 0 366.259 2.023 20 30 FEEDRO N#Cc1ccc(O[C@H]2CC[N@@H+](C[C@H](O)COc3ccc(Cl)cc3)C2)nc1 ZINC000428792496 559783471 /nfs/dbraw/zinc/78/34/71/559783471.db2.gz XBMAKMUDVUABQG-WMZOPIPTSA-N 1 0 373.840 2.500 20 30 FEEDRO N#CCC1(CNC(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000430181600 559814993 /nfs/dbraw/zinc/81/49/93/559814993.db2.gz UOAHFVONJDFRAB-UHFFFAOYSA-N 1 0 369.513 2.187 20 30 FEEDRO CN(CCC#N)C(=O)CC[N@H+](CCc1ccccn1)Cc1cccnc1 ZINC000430339245 559818004 /nfs/dbraw/zinc/81/80/04/559818004.db2.gz CVSVIFQQYZTVIH-UHFFFAOYSA-N 1 0 351.454 2.283 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H](CC(=O)NC)c2ccccc2)CC1 ZINC000430572471 559823217 /nfs/dbraw/zinc/82/32/17/559823217.db2.gz OKOZOMPFCJQQJF-GOSISDBHSA-N 1 0 358.486 2.204 20 30 FEEDRO C=CCc1ccccc1OC[C@H](O)C[N@@H+](CCO)[C@H]1CCCSC1 ZINC000433191033 559872872 /nfs/dbraw/zinc/87/28/72/559872872.db2.gz TXUMTWXCETWQAQ-ZWKOTPCHSA-N 1 0 351.512 2.345 20 30 FEEDRO COCCN1CCC[C@H]1C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000433330326 559877183 /nfs/dbraw/zinc/87/71/83/559877183.db2.gz BDXHNURMJUMZLV-IBGZPJMESA-N 1 0 368.485 2.059 20 30 FEEDRO CC(C)Oc1ccc(NC(=O)C(=O)NCCC[N@H+](C)C(C)C)cc1C#N ZINC000435536028 559924791 /nfs/dbraw/zinc/92/47/91/559924791.db2.gz IYOPDJFWPHLSBP-UHFFFAOYSA-N 1 0 360.458 2.130 20 30 FEEDRO C=CCOC[C@@H](NC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1)C(=O)OC ZINC000435947975 559932934 /nfs/dbraw/zinc/93/29/34/559932934.db2.gz GVMRCTXIGFWDHJ-GOSISDBHSA-N 1 0 374.481 2.149 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000437547597 559965963 /nfs/dbraw/zinc/96/59/63/559965963.db2.gz NEVMAQNSSCVCQO-OWYHZJEWSA-N 1 0 365.518 2.035 20 30 FEEDRO N#Cc1cccnc1OC1CCC([NH2+][C@@H](Cc2ccccc2)C(N)=O)CC1 ZINC000438325952 559977386 /nfs/dbraw/zinc/97/73/86/559977386.db2.gz VAOVETMTBRWFCX-ACBHZAAOSA-N 1 0 364.449 2.329 20 30 FEEDRO C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)Nc1ccccc1SCCC#N ZINC000439356062 559992927 /nfs/dbraw/zinc/99/29/27/559992927.db2.gz UJYJTPUFVZTGOQ-AWEZNQCLSA-N 1 0 360.483 2.183 20 30 FEEDRO COc1cc(C[NH2+]Cc2cccc(N3CCCS3(=O)=O)c2)ccc1C#N ZINC000440652619 560015486 /nfs/dbraw/zinc/01/54/86/560015486.db2.gz ZINQXYLBGHUMHC-UHFFFAOYSA-N 1 0 371.462 2.397 20 30 FEEDRO C=CCN(C(=O)N[C@H](C)CC[NH+](C)C)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000440991580 560021243 /nfs/dbraw/zinc/02/12/43/560021243.db2.gz YQJXKTNEWLCDNA-HZPDHXFCSA-N 1 0 371.489 2.261 20 30 FEEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000442144988 560044809 /nfs/dbraw/zinc/04/48/09/560044809.db2.gz YWDXKCHEMUHMTB-RBSFLKMASA-N 1 0 374.510 2.476 20 30 FEEDRO CC(C)NC(=O)c1cnn2c1C[C@@H](C[NH2+]Cc1cc(C#N)cs1)CC2 ZINC000442998326 560065540 /nfs/dbraw/zinc/06/55/40/560065540.db2.gz IUKCSOULCGYJOW-ZDUSSCGKSA-N 1 0 357.483 2.307 20 30 FEEDRO C[C@H]1C[C@H](C)C[NH+](CCCNS(=O)(=O)c2ccc(F)cc2C#N)C1 ZINC000443112682 560071191 /nfs/dbraw/zinc/07/11/91/560071191.db2.gz WRBKAGUHSCXJIB-KBPBESRZSA-N 1 0 353.463 2.344 20 30 FEEDRO CC(C)(Oc1ccc(C#N)cc1)C(=O)N1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC000443867953 560094869 /nfs/dbraw/zinc/09/48/69/560094869.db2.gz MEGGGKDTQHOSRM-IBGZPJMESA-N 1 0 371.481 2.429 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNS(=O)(=O)c1cn(CC)c(C)n1)C(C)C ZINC000444108621 560102040 /nfs/dbraw/zinc/10/20/40/560102040.db2.gz DATUSAYPFWJIJS-MRXNPFEDSA-N 1 0 354.520 2.188 20 30 FEEDRO CC1(C)CCC[N@H+](CCNC(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000444621437 560116903 /nfs/dbraw/zinc/11/69/03/560116903.db2.gz ZYUOZBJFEJKYNZ-UHFFFAOYSA-N 1 0 362.861 2.388 20 30 FEEDRO CC(C)(C)[C@H](CO)[NH2+]CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000444702190 560118652 /nfs/dbraw/zinc/11/86/52/560118652.db2.gz XLONTJLOGQLLCB-HNNXBMFYSA-N 1 0 356.388 2.170 20 30 FEEDRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)c2c(F)cc(C#N)cc2F)C1 ZINC000445923255 560136952 /nfs/dbraw/zinc/13/69/52/560136952.db2.gz BFXPFINOEBQDBI-AWEZNQCLSA-N 1 0 351.397 2.409 20 30 FEEDRO CCN(C[C@H](C)C#N)C(=O)C[N@H+](Cc1ccccc1)C[C@@]1(O)CCO[C@@H]1C ZINC000447922458 560172950 /nfs/dbraw/zinc/17/29/50/560172950.db2.gz AOJDJVYNKJRSBK-OPYAIIAOSA-N 1 0 373.497 2.037 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)Nc1cccc(C(=O)NCC[NH+](CC)CC)c1 ZINC000448714021 560196166 /nfs/dbraw/zinc/19/61/66/560196166.db2.gz MTLQRYKZNSWSRU-MSOLQXFVSA-N 1 0 359.470 2.288 20 30 FEEDRO C[NH+](C)[C@H](CNC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)C1CC1 ZINC000448751072 560197939 /nfs/dbraw/zinc/19/79/39/560197939.db2.gz RNKBEHJTNWWFKG-RHSMWYFYSA-N 1 0 374.872 2.021 20 30 FEEDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1cccc(C#N)c1Br ZINC000448905676 560205765 /nfs/dbraw/zinc/20/57/65/560205765.db2.gz ABWZQNIDVHXXLU-ZDUSSCGKSA-N 1 0 366.259 2.161 20 30 FEEDRO C[C@H](CC[NH+](C)C)NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 ZINC000448978375 560209947 /nfs/dbraw/zinc/20/99/47/560209947.db2.gz XBTMOAVUTXEBQT-TZMCWYRMSA-N 1 0 362.861 2.021 20 30 FEEDRO N#Cc1c(Br)cccc1OCC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000449831510 560241727 /nfs/dbraw/zinc/24/17/27/560241727.db2.gz WLWXAZOXEUCHJP-GFCCVEGCSA-N 1 0 364.243 2.006 20 30 FEEDRO C[NH+](C)C[C@H]1CCN(C(=O)COc2ccc(C#N)c(Br)c2)C1 ZINC000449893002 560244518 /nfs/dbraw/zinc/24/45/18/560244518.db2.gz SXTYUDYDCGITHQ-GFCCVEGCSA-N 1 0 366.259 2.110 20 30 FEEDRO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)COc1ccc(C#N)c(Br)c1 ZINC000450382324 560260782 /nfs/dbraw/zinc/26/07/82/560260782.db2.gz WBVCJAZGMBTFTA-RYUDHWBXSA-N 1 0 366.259 2.251 20 30 FEEDRO C[C@H](c1ccccc1)[C@H](O)CN1C[C@@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000450615930 560268061 /nfs/dbraw/zinc/26/80/61/560268061.db2.gz QDGIKWNMMUDTAH-HHRWBCNNSA-N 1 0 361.445 2.496 20 30 FEEDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NS(=O)(=O)c1ccc(CC#N)cc1Cl ZINC000451322421 560300157 /nfs/dbraw/zinc/30/01/57/560300157.db2.gz UDKKYNCMQRNGNM-IAQYHMDHSA-N 1 0 353.875 2.167 20 30 FEEDRO Cc1[nH]c(C#N)cc1C(=O)NC[C@@H]1CCC[N@H+](C2CC2)[C@H]1c1ccnn1C ZINC000451656283 560319918 /nfs/dbraw/zinc/31/99/18/560319918.db2.gz SVUOVDJFFYGYNF-IFXJQAMLSA-N 1 0 366.469 2.274 20 30 FEEDRO C=CCNC(=O)NC(=O)C[NH+]1CCC(Cc2cc(F)ccc2F)CC1 ZINC000451963769 560340910 /nfs/dbraw/zinc/34/09/10/560340910.db2.gz JAPGTSGCNSALNQ-UHFFFAOYSA-N 1 0 351.397 2.231 20 30 FEEDRO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1C[C@@H](C(=O)OC)[C@@H](c2ccccc2)C1 ZINC000451996014 560343764 /nfs/dbraw/zinc/34/37/64/560343764.db2.gz PBYPZIIMWGKZII-QXAKKESOSA-N 1 0 356.466 2.464 20 30 FEEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@@H]1CN(CC(F)(F)F)C[C@H]1c1ccccc1 ZINC000452027872 560346382 /nfs/dbraw/zinc/34/63/82/560346382.db2.gz XOOXQLIFLDZRPA-VNQPRFMTSA-N 1 0 355.404 2.297 20 30 FEEDRO C=CCn1c([C@H](C)OCCOC)nnc1N(C)[C@H]1CC[N@@H+](C(C)C)C1 ZINC000453455663 560387144 /nfs/dbraw/zinc/38/71/44/560387144.db2.gz XQBSLVJNYYCZHC-HOTGVXAUSA-N 1 0 351.495 2.107 20 30 FEEDRO C=C(C)Cn1c([C@H]2CCCCO2)nnc1N1CC[N@@H+](CCOC)[C@H](C)C1 ZINC000453460967 560387261 /nfs/dbraw/zinc/38/72/61/560387261.db2.gz FHNYGIPSNKXJHY-IAGOWNOFSA-N 1 0 363.506 2.253 20 30 FEEDRO CC(C)[NH+]1CCC(NC(=O)C(=O)Nc2ccc(CC#N)cc2Cl)CC1 ZINC000453582897 560389669 /nfs/dbraw/zinc/38/96/69/560389669.db2.gz TXFPATFMWFWCNC-UHFFFAOYSA-N 1 0 362.861 2.334 20 30 FEEDRO CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2sc(C(C)(C)C)cc2C#N)C1 ZINC000453599919 560390602 /nfs/dbraw/zinc/39/06/02/560390602.db2.gz DDTJHCXOYJMEJV-ZDUSSCGKSA-N 1 0 362.499 2.456 20 30 FEEDRO Cc1nc(NC(=O)C(=O)NCC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)ccc1C#N ZINC000453612165 560391097 /nfs/dbraw/zinc/39/10/97/560391097.db2.gz AFBQWIAQJMGCNU-OKILXGFUSA-N 1 0 371.485 2.073 20 30 FEEDRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)Nc1cccc(CC#N)c1 ZINC000453617655 560391470 /nfs/dbraw/zinc/39/14/70/560391470.db2.gz YRFUUPJQVYDHGK-MRXNPFEDSA-N 1 0 356.470 2.462 20 30 FEEDRO C[NH+](C)CC[C@H](NC(=O)C(=O)Nc1cnc(C#N)c(Cl)c1)C(C)(C)C ZINC000453642703 560392804 /nfs/dbraw/zinc/39/28/04/560392804.db2.gz KPQVFMLVGQZXMJ-AWEZNQCLSA-N 1 0 365.865 2.028 20 30 FEEDRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1cccc(CC#N)c1 ZINC000453647260 560393205 /nfs/dbraw/zinc/39/32/05/560393205.db2.gz RJFHMPKFTBIROH-SFHVURJKSA-N 1 0 356.470 2.462 20 30 FEEDRO Cc1cc(C#N)cc(NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)c1 ZINC000453664539 560394609 /nfs/dbraw/zinc/39/46/09/560394609.db2.gz GVKFBEXCYMXDIF-MSOLQXFVSA-N 1 0 354.454 2.279 20 30 FEEDRO N#CCc1ccc(NC(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)c(Cl)c1 ZINC000453744731 560401073 /nfs/dbraw/zinc/40/10/73/560401073.db2.gz JTUJWVGDTIOHML-UHFFFAOYSA-N 1 0 374.872 2.335 20 30 FEEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)NCC[N@@H+]1CCCC1(C)C ZINC000454071462 560426727 /nfs/dbraw/zinc/42/67/27/560426727.db2.gz RJTLUECYDNJPNY-UHFFFAOYSA-N 1 0 372.469 2.275 20 30 FEEDRO N#Cc1ccc(OC(F)F)c(NC(=O)NC[C@H]2CCCC[N@H+]2CCO)c1 ZINC000454711154 560455303 /nfs/dbraw/zinc/45/53/03/560455303.db2.gz JCXSDVCFNFUSOG-CYBMUJFWSA-N 1 0 368.384 2.128 20 30 FEEDRO Cc1nc(NC(=O)N(CCC#N)CCC[NH+](C)C)ccc1-c1cnn(C)c1 ZINC000455694353 560492082 /nfs/dbraw/zinc/49/20/82/560492082.db2.gz FIRBADPBDQVMGN-UHFFFAOYSA-N 1 0 369.473 2.490 20 30 FEEDRO CC(C)[C@@H](CNC(=O)Nc1cnc(C#N)c(Cl)c1)[NH+]1CCN(C)CC1 ZINC000455762210 560494207 /nfs/dbraw/zinc/49/42/07/560494207.db2.gz YPXGCBJXZKOVLV-MRXNPFEDSA-N 1 0 364.881 2.000 20 30 FEEDRO CC[C@@H]1CN(C(=O)C(C)(C)Cc2ccc(C#N)cc2)CC[N@@H+]1C[C@@H](C)O ZINC000455777476 560494593 /nfs/dbraw/zinc/49/45/93/560494593.db2.gz CVLRYUJROBMZRP-VQIMIIECSA-N 1 0 357.498 2.431 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(F)c(S(C)(=O)=O)c2)CC1 ZINC000455841546 560497159 /nfs/dbraw/zinc/49/71/59/560497159.db2.gz OJCUBVFMGFAGEN-UHFFFAOYSA-N 1 0 369.462 2.391 20 30 FEEDRO CC#CCN(C)C(=O)NC1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1 ZINC000459050539 560664072 /nfs/dbraw/zinc/66/40/72/560664072.db2.gz QWFROLVEEIMQKC-UHFFFAOYSA-N 1 0 356.470 2.274 20 30 FEEDRO CC(C)[C@@](C)([NH2+]CC(=O)Nc1ccccc1SC[C@H](C)C#N)C(N)=O ZINC000459491480 560689453 /nfs/dbraw/zinc/68/94/53/560689453.db2.gz XKSAJWDIRBLJKH-FZKQIMNGSA-N 1 0 362.499 2.366 20 30 FEEDRO CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCc3cccc(Cl)c3C2)CC1 ZINC000459668269 560701129 /nfs/dbraw/zinc/70/11/29/560701129.db2.gz BNIXYPOSVUAHAK-IBGZPJMESA-N 1 0 374.916 2.390 20 30 FEEDRO C=CCN(CCc1ccccc1)C(=O)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000460071389 560733233 /nfs/dbraw/zinc/73/32/33/560733233.db2.gz UJYJIXPPFHNLKE-UHFFFAOYSA-N 1 0 369.509 2.331 20 30 FEEDRO C=C(C)Cn1c(CC2CC2)nnc1N1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000460573209 560746468 /nfs/dbraw/zinc/74/64/68/560746468.db2.gz KRUPHCBVWYVHHT-GOSISDBHSA-N 1 0 358.534 2.023 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)CNC(=O)c1ccc(C(C)(C)C)cc1 ZINC000460997469 560758885 /nfs/dbraw/zinc/75/88/85/560758885.db2.gz ACSZXXPEQSIUER-UHFFFAOYSA-N 1 0 372.513 2.408 20 30 FEEDRO N#Cc1ccc(CN2CCC([NH2+][C@@H](CCO)C3CCOCC3)CC2)cc1 ZINC000461090801 560761143 /nfs/dbraw/zinc/76/11/43/560761143.db2.gz NMARNRGOYTUKHY-NRFANRHFSA-N 1 0 357.498 2.290 20 30 FEEDRO Cc1nsc(N2CCN(C(=O)[C@H](C)[NH+]3[C@@H](C)CC[C@@H]3C)CC2)c1C#N ZINC000461202328 560763921 /nfs/dbraw/zinc/76/39/21/560763921.db2.gz ZMJSMXDPLCJHAQ-YDHLFZDLSA-N 1 0 361.515 2.233 20 30 FEEDRO C[C@H](C(=O)NCc1cccnc1N1CC[NH+](C)CC1)c1cccc(C#N)c1 ZINC000461921148 560788050 /nfs/dbraw/zinc/78/80/50/560788050.db2.gz TVYKTSNBFIJMBH-INIZCTEOSA-N 1 0 363.465 2.125 20 30 FEEDRO C[C@@H](CNC(=O)N1CC(Oc2ccc(C#N)cc2)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000462128994 560798321 /nfs/dbraw/zinc/79/83/21/560798321.db2.gz OTQJGUCLYYIDAF-CVEARBPZSA-N 1 0 356.470 2.451 20 30 FEEDRO COc1cc(C[N@@H+]2C[C@@H](O)C[C@H]2CO)ccc1OCc1cccc(C#N)c1 ZINC000462339189 560806837 /nfs/dbraw/zinc/80/68/37/560806837.db2.gz XXYOPTPNOQGARX-OALUTQOASA-N 1 0 368.433 2.073 20 30 FEEDRO C[NH+](C)[C@@H](CNC(=O)NCCOc1ccc(C#N)cc1)Cc1ccccc1 ZINC000465429274 560865130 /nfs/dbraw/zinc/86/51/30/560865130.db2.gz FRXPOYXNLNXWMW-LJQANCHMSA-N 1 0 366.465 2.409 20 30 FEEDRO C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)CC[N@@H+]1C ZINC000465874270 560874691 /nfs/dbraw/zinc/87/46/91/560874691.db2.gz MNYQLFGNTALBDH-DJIMGWMZSA-N 1 0 373.476 2.448 20 30 FEEDRO CC[NH+](CC)CCOC1CCN(CC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000467164146 560905350 /nfs/dbraw/zinc/90/53/50/560905350.db2.gz XEOIKCQZPIFDOH-UHFFFAOYSA-N 1 0 358.486 2.320 20 30 FEEDRO COc1cc2c(cc1OC)C[N@H+](CCNc1ccc(C)c(C#N)n1)CC2 ZINC000468708913 560936625 /nfs/dbraw/zinc/93/66/25/560936625.db2.gz GALMFPQUEMWXQG-UHFFFAOYSA-N 1 0 352.438 2.749 20 30 FEEDRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000468852260 560940492 /nfs/dbraw/zinc/94/04/92/560940492.db2.gz FCPVZEZGHMVXHV-KRWDZBQOSA-N 1 0 368.437 2.396 20 30 FEEDRO CCOCCC[N@@H+]1CC[C@H](N[C@H](C)C(=O)N[C@](C)(C#N)C(C)C)[C@@H](C)C1 ZINC000469769205 560964165 /nfs/dbraw/zinc/96/41/65/560964165.db2.gz NSPROWLZRREBCG-HLNWXESRSA-N 1 0 366.550 2.156 20 30 FEEDRO O=C(Nc1ccccc1C#Cc1ccccc1)C(=O)N1CC[NH+]2CCC1CC2 ZINC000471229759 561000896 /nfs/dbraw/zinc/00/08/96/561000896.db2.gz FMJLOYVAPDMNTI-UHFFFAOYSA-N 1 0 373.456 2.332 20 30 FEEDRO CC[C@@H]1C[N@H+](C[C@@H](O)COc2ccc(C#N)cc2)[C@H](CC)CN1C(C)=O ZINC000472313892 561024012 /nfs/dbraw/zinc/02/40/12/561024012.db2.gz GVGOORMKFSVHFG-GUDVDZBRSA-N 1 0 359.470 2.019 20 30 FEEDRO COCC[N@H+](C)CC[C@H](NC(=O)c1ccnc(C#N)c1)c1ccccc1 ZINC000475669947 561101905 /nfs/dbraw/zinc/10/19/05/561101905.db2.gz TUHNRFWDZKKUQN-IBGZPJMESA-N 1 0 352.438 2.393 20 30 FEEDRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)c2ccc(C(C)(C)C#N)cc2)CC1 ZINC000475756267 561104581 /nfs/dbraw/zinc/10/45/81/561104581.db2.gz OYTUNVLOUIPBGG-UHFFFAOYSA-N 1 0 370.497 2.160 20 30 FEEDRO C[C@H]1C[C@@H](N(C)C(=O)c2cnn(C)c2C#N)CC[N@@H+]1Cc1ccccc1 ZINC000476083185 561111049 /nfs/dbraw/zinc/11/10/49/561111049.db2.gz BEFROPUIJSXZGJ-RDJZCZTQSA-N 1 0 351.454 2.417 20 30 FEEDRO C[C@@H]1CCC[C@@](CNC(=O)C(=O)N(C)Cc2cccc(C#N)c2)([NH+](C)C)C1 ZINC000477223130 561139744 /nfs/dbraw/zinc/13/97/44/561139744.db2.gz VQDSDRFHDNHCOJ-IIBYNOLFSA-N 1 0 370.497 2.143 20 30 FEEDRO CCCCN(C)C(=O)C1CC[NH+](C[C@@H](O)COc2ccccc2C#N)CC1 ZINC000528352960 562324352 /nfs/dbraw/zinc/32/43/52/562324352.db2.gz GWZJJNVKFAMLQK-LJQANCHMSA-N 1 0 373.497 2.268 20 30 FEEDRO CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](C[C@H](O)COc2ccccc2C#N)C1 ZINC000528358230 562324786 /nfs/dbraw/zinc/32/47/86/562324786.db2.gz KJAORAGAKRYMLY-QRQLOZEOSA-N 1 0 373.497 2.315 20 30 FEEDRO CC(C)[NH+]1CCC(N(C)CC#CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000528366846 562325294 /nfs/dbraw/zinc/32/52/94/562325294.db2.gz JKLULDOINAAYNP-UHFFFAOYSA-N 1 0 353.466 2.091 20 30 FEEDRO N#Cc1ccccc1OC[C@@H](O)C[NH+]1CCC(OC[C@H]2CCCCO2)CC1 ZINC000528399548 562326926 /nfs/dbraw/zinc/32/69/26/562326926.db2.gz WQVNURGYUATFEN-AZUAARDMSA-N 1 0 374.481 2.348 20 30 FEEDRO COc1cccc([C@H]2CN(C[C@H](O)COc3ccccc3C#N)CCO2)c1 ZINC000528405524 562327152 /nfs/dbraw/zinc/32/71/52/562327152.db2.gz LOCAOHHDBTWDQJ-GHTZIAJQSA-N 1 0 368.433 2.380 20 30 FEEDRO O=C1c2ccccc2C(=O)N1CC#CC[N@H+]1CCc2ccc(O)cc2CC1 ZINC000528415257 562327976 /nfs/dbraw/zinc/32/79/76/562327976.db2.gz LCFFVMOKJYJEPU-UHFFFAOYSA-N 1 0 360.413 2.092 20 30 FEEDRO N#Cc1ccccc1OC[C@H](O)C[NH+]1CCC(Nc2ccccn2)CC1 ZINC000528427780 562328735 /nfs/dbraw/zinc/32/87/35/562328735.db2.gz KWYXISHGODYMLH-GOSISDBHSA-N 1 0 352.438 2.269 20 30 FEEDRO O=C1c2ccccc2C(=O)N1CC#CC[NH+]1CCC(Nc2ccccn2)CC1 ZINC000528431905 562328972 /nfs/dbraw/zinc/32/89/72/562328972.db2.gz XOSNEBYRGLDAMK-UHFFFAOYSA-N 1 0 374.444 2.258 20 30 FEEDRO N#Cc1ccccc1OC[C@@H](O)CN1CCO[C@@H](Cc2ccccc2)C1 ZINC000528436286 562329233 /nfs/dbraw/zinc/32/92/33/562329233.db2.gz AYGKCKDWWPKRPF-PMACEKPBSA-N 1 0 352.434 2.241 20 30 FEEDRO CC(C)(C)[C@@H]1CC[N@H+](CC#CCN2C(=O)c3ccccc3C2=O)C[C@@H]1O ZINC000528441354 562329586 /nfs/dbraw/zinc/32/95/86/562329586.db2.gz UOLLHLDDFLOCRB-MSOLQXFVSA-N 1 0 354.450 2.015 20 30 FEEDRO O=C1c2ccccc2C(=O)N1CC#CC[NH2+][C@@H]1CCCC12CCOCC2 ZINC000528494009 562332136 /nfs/dbraw/zinc/33/21/36/562332136.db2.gz OAWNHNKGJOKMER-GOSISDBHSA-N 1 0 352.434 2.225 20 30 FEEDRO C=CC[C@H](CO)NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1nccs1 ZINC000529025485 562357117 /nfs/dbraw/zinc/35/71/17/562357117.db2.gz KFSBLQWZIKDINN-KZNAEPCWSA-N 1 0 371.506 2.412 20 30 FEEDRO COCc1ccc(NC(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)cc1C#N ZINC000529208946 562364826 /nfs/dbraw/zinc/36/48/26/562364826.db2.gz ATALRWOEEHYCGP-AWEZNQCLSA-N 1 0 360.458 2.014 20 30 FEEDRO COCc1ccc(NC(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cc1C#N ZINC000529212084 562364967 /nfs/dbraw/zinc/36/49/67/562364967.db2.gz MYLKHEZGUFTORY-RTBURBONSA-N 1 0 372.469 2.204 20 30 FEEDRO N#Cc1ccccc1N1CCCN(C(=O)N[C@H]2CC[NH2+]C23CCC3)CC1 ZINC000529367101 562371247 /nfs/dbraw/zinc/37/12/47/562371247.db2.gz OQRQNDSWCGWVJV-SFHVURJKSA-N 1 0 353.470 2.065 20 30 FEEDRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)Cc2ccc(C#N)nc2)c1 ZINC000529392517 562372200 /nfs/dbraw/zinc/37/22/00/562372200.db2.gz BIFZQLAGJBAYHG-UHFFFAOYSA-N 1 0 365.437 2.415 20 30 FEEDRO COCc1ccc(NC(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1C#N ZINC000529816835 562386571 /nfs/dbraw/zinc/38/65/71/562386571.db2.gz QECZCKKLHPUPCX-OAQYLSRUSA-N 1 0 365.433 2.280 20 30 FEEDRO N#Cc1ccccc1OC[C@@H](O)C[NH2+][C@H]1CCN(c2ccccc2F)C1 ZINC000530233352 562403328 /nfs/dbraw/zinc/40/33/28/562403328.db2.gz IBOGZTQSZULVHJ-IRXDYDNUSA-N 1 0 355.413 2.306 20 30 FEEDRO COc1ccc(CN2CC[C@H]2C[NH2+]C[C@H](O)c2ccc(C#N)cc2)cc1 ZINC000530239387 562403597 /nfs/dbraw/zinc/40/35/97/562403597.db2.gz FLJBCWKJDJZLLP-FPOVZHCZSA-N 1 0 351.450 2.464 20 30 FEEDRO C[C@@H]1CC[N@H+](CCNC(=O)C(=O)Nc2ccccc2SCCC#N)C1 ZINC000531044499 562432820 /nfs/dbraw/zinc/43/28/20/562432820.db2.gz VZPCFZPTKAALHS-CQSZACIVSA-N 1 0 360.483 2.089 20 30 FEEDRO C[NH+]1CCN(C[C@@H](NC(=O)c2ccc(CC#N)cc2)c2ccccc2)CC1 ZINC000535348665 562556496 /nfs/dbraw/zinc/55/64/96/562556496.db2.gz DZSKZZQTBIKNOH-OAQYLSRUSA-N 1 0 362.477 2.471 20 30 FEEDRO N#Cc1cccc(CC(=O)N[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2CO)c1 ZINC000535635238 562563011 /nfs/dbraw/zinc/56/30/11/562563011.db2.gz KHWCWOHMRFZKBG-RTWAWAEBSA-N 1 0 363.461 2.100 20 30 FEEDRO N#Cc1cccc(CC(=O)N[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2CO)c1 ZINC000535635239 562563084 /nfs/dbraw/zinc/56/30/84/562563084.db2.gz KHWCWOHMRFZKBG-SFTDATJTSA-N 1 0 363.461 2.100 20 30 FEEDRO N#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)s1 ZINC000536434016 562575372 /nfs/dbraw/zinc/57/53/72/562575372.db2.gz UNPPWLCGCGNVIW-RDJZCZTQSA-N 1 0 355.463 2.233 20 30 FEEDRO CCN(CC)C(=O)CCC1CC[NH+](CC(=O)N(CC)C[C@H](C)C#N)CC1 ZINC000541090895 562602807 /nfs/dbraw/zinc/60/28/07/562602807.db2.gz YAZIYUJDKCWENZ-QGZVFWFLSA-N 1 0 364.534 2.355 20 30 FEEDRO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)Nc1nc2ccccn2c1C#N ZINC000541114143 562603470 /nfs/dbraw/zinc/60/34/70/562603470.db2.gz ZHTUALNOKOSSRB-INIZCTEOSA-N 1 0 361.453 2.224 20 30 FEEDRO C[C@H]([NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1)[C@@H]1CCCOC1 ZINC000541648301 562617174 /nfs/dbraw/zinc/61/71/74/562617174.db2.gz KAKKNJDJJZKBNC-LSDHHAIUSA-N 1 0 353.426 2.087 20 30 FEEDRO CN(C(=O)C(=O)Nc1cccc2c1OCC[C@H]2[NH+](C)C)[C@@H]1CCC[C@H]1C#N ZINC000602068537 567924764 /nfs/dbraw/zinc/92/47/64/567924764.db2.gz QYGWALVMOZRBRY-IAOVAPTHSA-N 1 0 370.453 2.161 20 30 FEEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000602595823 567999506 /nfs/dbraw/zinc/99/95/06/567999506.db2.gz DDBRPCXCKLXLEI-YLJYHZDGSA-N 1 0 357.498 2.442 20 30 FEEDRO C[C@@H](CCC#N)C[NH2+]C[C@H](Cc1cccc(F)c1)C(=O)N1CCOCC1 ZINC000602640385 568002862 /nfs/dbraw/zinc/00/28/62/568002862.db2.gz QEQJTHDSOBDHJH-WMZOPIPTSA-N 1 0 361.461 2.373 20 30 FEEDRO CCn1nc(C)c(C[N@H+](C)C[C@@H](O)COc2ccc(CC#N)cc2)c1C ZINC000602926466 568018547 /nfs/dbraw/zinc/01/85/47/568018547.db2.gz RKZNVIHIBWLJCX-GOSISDBHSA-N 1 0 356.470 2.458 20 30 FEEDRO COc1cc(F)c(CN2CCN(c3nccnc3C#N)C[C@H]2C)cc1OC ZINC000568400352 568030612 /nfs/dbraw/zinc/03/06/12/568030612.db2.gz ZCAKACUWPQBOLA-CYBMUJFWSA-N 1 0 371.416 2.215 20 30 FEEDRO C[C@H](C(=O)NC1(C#N)CCCCC1)N1CCN(Cc2ccc(O)cc2)CC1 ZINC000603006760 568050090 /nfs/dbraw/zinc/05/00/90/568050090.db2.gz LGPAACVMDCCHJZ-QGZVFWFLSA-N 1 0 370.497 2.241 20 30 FEEDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)N[C@H]1CCOC2(CCC2)C1 ZINC000330268707 568052227 /nfs/dbraw/zinc/05/22/27/568052227.db2.gz RIGFQBSONVZAAD-HOTGVXAUSA-N 1 0 351.491 2.187 20 30 FEEDRO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)n1cc([C@H]2CCC[NH2+]C2)nn1 ZINC000603194187 568072432 /nfs/dbraw/zinc/07/24/32/568072432.db2.gz GCZIWMQXEADZKN-CABCVRRESA-N 1 0 370.432 2.392 20 30 FEEDRO CC[NH2+]Cc1cn(CC(=O)Nc2ccccc2S[C@@H](C)CC#N)nn1 ZINC000603217727 568076868 /nfs/dbraw/zinc/07/68/68/568076868.db2.gz YEMJTBYZMWJQOM-ZDUSSCGKSA-N 1 0 358.471 2.421 20 30 FEEDRO CC(C)(C#N)c1ccc(C[NH2+][C@@H]2CCCN(CCN3CCOCC3)C2)cc1 ZINC000603429569 568096851 /nfs/dbraw/zinc/09/68/51/568096851.db2.gz YEDWVJLABUROPY-OAQYLSRUSA-N 1 0 370.541 2.374 20 30 FEEDRO C[C@@H](NC(=O)NC1CCC(Oc2ncccc2C#N)CC1)[C@@H]1CCC[NH2+]C1 ZINC000568731401 568144520 /nfs/dbraw/zinc/14/45/20/568144520.db2.gz PZADBHFQYFWVLS-DVHLICQRSA-N 1 0 371.485 2.331 20 30 FEEDRO N#CCc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H](c3ccncn3)C2)cc1 ZINC000603842983 568155376 /nfs/dbraw/zinc/15/53/76/568155376.db2.gz VWYHPYQKLQWPHT-QZTJIDSGSA-N 1 0 352.438 2.162 20 30 FEEDRO C[N@@H+]1CCCC[C@@H]1CCC(=O)N[C@@H]1CCCc2[nH]c(=O)c(C(N)=O)cc21 ZINC000330297278 568156395 /nfs/dbraw/zinc/15/63/95/568156395.db2.gz KUCGOXQPAQIPJS-IUODEOHRSA-N 1 0 360.458 2.485 20 30 FEEDRO C[NH+](C)CC(C)(C)CNS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000604017822 568199397 /nfs/dbraw/zinc/19/93/97/568199397.db2.gz HQKWSLDINZVQJN-UHFFFAOYSA-N 1 0 363.405 2.443 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+]C[C@@H](c2ccco2)N2CCCC2)cc1 ZINC000569660092 568416391 /nfs/dbraw/zinc/41/63/91/568416391.db2.gz FAZNZVWCUKXAAD-SFHVURJKSA-N 1 0 373.478 2.352 20 30 FEEDRO COc1cccc([C@@H](C[NH2+]Cc2cnc3c(C#N)cnn3c2)N(C)C)c1 ZINC000569945503 568444032 /nfs/dbraw/zinc/44/40/32/568444032.db2.gz QROGCGHVKNJVHT-GOSISDBHSA-N 1 0 350.426 2.002 20 30 FEEDRO C[C@H]1CN(Cc2cccc(C#N)c2)CC[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC000737196631 598899401 /nfs/dbraw/zinc/89/94/01/598899401.db2.gz VBXOTVWFUNJBRK-INIZCTEOSA-N 1 0 373.464 2.445 20 30 FEEDRO C[C@H]1C[N@H+](Cc2cccc(-c3nn[nH]n3)c2)CCN1Cc1cccc(C#N)c1 ZINC000737196315 598899587 /nfs/dbraw/zinc/89/95/87/598899587.db2.gz FKZDABPZUUGXCN-INIZCTEOSA-N 1 0 373.464 2.445 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cc(-c3nn[nH]n3)ccc2OC)CC1 ZINC000735399142 598372421 /nfs/dbraw/zinc/37/24/21/598372421.db2.gz PNOGFGWRHFSPMY-UHFFFAOYSA-N 1 0 371.445 2.037 20 30 FEEDRO CC(C)(C)C[N@H+](CCC#N)CCC(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000735602828 598621258 /nfs/dbraw/zinc/62/12/58/598621258.db2.gz QZFPYFZDICUNGL-UHFFFAOYSA-N 1 0 355.446 2.457 20 30 FEEDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc(C#N)c1)c1cccc(-c2nn[nH]n2)c1 ZINC000820414052 599391131 /nfs/dbraw/zinc/39/11/31/599391131.db2.gz WYEYDTXDSQGBHC-OLZOCXBDSA-N 1 0 361.409 2.416 20 30 FEEDRO C=CCNC(=O)[C@@H](C)[N@@H+]1CC2CCC1(CNC(=O)OC(C)(C)C)CC2 ZINC000809568383 674498045 /nfs/dbraw/zinc/49/80/45/674498045.db2.gz MTTBDCXAXNSTLD-TZGCNFNXSA-N 1 0 351.491 2.446 20 30 FEEDRO C#CCC[NH+]1CCN(c2ccc(-c3nn[nH]n3)cc2C(F)(F)F)CC1 ZINC000823844907 608376810 /nfs/dbraw/zinc/37/68/10/608376810.db2.gz JTHAXZBCNVWQHF-UHFFFAOYSA-N 1 0 350.348 2.031 20 30 FEEDRO Cc1oc(NC(=O)C[NH2+][C@@H](C)c2cccc(C#N)c2)c(-c2nn[nH]n2)c1C ZINC000826341782 608486666 /nfs/dbraw/zinc/48/66/66/608486666.db2.gz PUTPIWIAIVWBCX-NSHDSACASA-N 1 0 365.397 2.238 20 30 FEEDRO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)OC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000811446036 674604325 /nfs/dbraw/zinc/60/43/25/674604325.db2.gz RXAKWCQYIHJHHO-KKXDTOCCSA-N 1 0 355.454 2.185 20 30 FEEDRO C=CCC[C@@H](O)Cn1cc([C@@H]([NH3+])c2ccc(Br)cc2)nn1 ZINC000641212637 677196988 /nfs/dbraw/zinc/19/69/88/677196988.db2.gz NJCVCSXHRNZNPW-HIFRSBDPSA-N 1 0 351.248 2.416 20 30 FEEDRO N#Cc1cc(Br)cnc1N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000563422448 674885645 /nfs/dbraw/zinc/88/56/45/674885645.db2.gz HBMZSIKCNAOUIL-OAHLLOKOSA-N 1 0 365.275 2.407 20 30 FEEDRO C[C@@H](C(=O)N1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1)[NH+]1CC(C)C1 ZINC000564351628 674999613 /nfs/dbraw/zinc/99/96/13/674999613.db2.gz PWVNOPKVKBNDLI-YJBOKZPZSA-N 1 0 360.889 2.389 20 30 FEEDRO COc1cc(C#N)cc(Br)c1OC[C@H](O)C[N@H+](C)C1CC1 ZINC000564559619 675036670 /nfs/dbraw/zinc/03/66/70/675036670.db2.gz XAMYMNOADFVBBM-GFCCVEGCSA-N 1 0 355.232 2.163 20 30 FEEDRO C=C(Br)CNC(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000069117353 670480592 /nfs/dbraw/zinc/48/05/92/670480592.db2.gz HKXNWXKRGQXYNE-UHFFFAOYSA-N 1 0 356.264 2.335 20 30 FEEDRO O=S1(=O)CC[C@H](CNC(NCc2ccc(F)cc2)=[NH+]C2CCCC2)C1 ZINC000073465734 670502801 /nfs/dbraw/zinc/50/28/01/670502801.db2.gz ZAOFCAYOSNLRHQ-OAHLLOKOSA-N 1 0 367.490 2.238 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)NC(C)(C)CCNC(=O)OC(C)(C)C)CC1 ZINC000817488736 675137993 /nfs/dbraw/zinc/13/79/93/675137993.db2.gz RLYBWJWGOSWUCO-UHFFFAOYSA-N 1 0 351.491 2.141 20 30 FEEDRO CC[S@](=O)[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)C1 ZINC000571790319 670925617 /nfs/dbraw/zinc/92/56/17/670925617.db2.gz IZAVLVJDONNWJK-LOZVMHFJSA-N 1 0 364.511 2.162 20 30 FEEDRO C=CC[C@H](CO)C[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000572879470 671055549 /nfs/dbraw/zinc/05/55/49/671055549.db2.gz IRCNENKONDXNJS-FZMZJTMJSA-N 1 0 362.239 2.102 20 30 FEEDRO N#Cc1csc(C[NH2+]C2CCC(C(=O)N3CCSCC3)CC2)n1 ZINC000573846888 671171931 /nfs/dbraw/zinc/17/19/31/671171931.db2.gz PWSZZUNJFNVYEB-UHFFFAOYSA-N 1 0 350.513 2.239 20 30 FEEDRO CC(C)(C)c1cc(C#N)c(NC(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)s1 ZINC000574055965 671197641 /nfs/dbraw/zinc/19/76/41/671197641.db2.gz PAMVTVUJNJPBAT-GOSISDBHSA-N 1 0 360.483 2.068 20 30 FEEDRO C=CCn1cc(CNC(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)nn1 ZINC000566142414 675185614 /nfs/dbraw/zinc/18/56/14/675185614.db2.gz CLADMDGCUQWRQA-INIZCTEOSA-N 1 0 362.865 2.220 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+]CC2(c3ccc(F)cc3)CC2)nc1 ZINC000574866677 671282411 /nfs/dbraw/zinc/28/24/11/671282411.db2.gz XRLKFUIBHHJZPX-UHFFFAOYSA-N 1 0 359.426 2.187 20 30 FEEDRO CC(C)[C@H]1C[C@H](C[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)CCO1 ZINC000575053659 671295680 /nfs/dbraw/zinc/29/56/80/671295680.db2.gz UBSCYZTVLUHABI-SJLPKXTDSA-N 1 0 350.484 2.373 20 30 FEEDRO N#Cc1cc(Br)cc(S(=O)(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000566224485 675195602 /nfs/dbraw/zinc/19/56/02/675195602.db2.gz OIBCZEXCFNDDLK-ZWNOBZJWSA-N 1 0 372.288 2.117 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)COc2ccc(Cl)c(F)c2)c1C#N ZINC000576698361 671387702 /nfs/dbraw/zinc/38/77/02/671387702.db2.gz KCXBRCCDGSIMJT-UHFFFAOYSA-N 1 0 365.796 2.243 20 30 FEEDRO N#Cc1c(Br)cccc1S(=O)(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000577632435 671609906 /nfs/dbraw/zinc/60/99/06/671609906.db2.gz MASXXRGWPHQNGW-GXFFZTMASA-N 1 0 372.288 2.117 20 30 FEEDRO C[C@@H]1CN(S(=O)(=O)Cc2ccc(CC#N)cc2)CC[N@@H+](C2CCC2)C1 ZINC000577844762 671623971 /nfs/dbraw/zinc/62/39/71/671623971.db2.gz AXTPTMDCKWMOJT-INIZCTEOSA-N 1 0 361.511 2.389 20 30 FEEDRO CN(CCC#N)C[C@H](O)C[NH2+][C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000578998188 671704825 /nfs/dbraw/zinc/70/48/25/671704825.db2.gz PBSMOXSVYKQRRR-JLSDUUJJSA-N 1 0 368.884 2.020 20 30 FEEDRO C[C@@H](Cc1ccccc1Br)[NH2+]C[C@@H](O)CN(C)CCC#N ZINC000580423375 671806132 /nfs/dbraw/zinc/80/61/32/671806132.db2.gz QVURGYZDQMUDGR-DZGCQCFKSA-N 1 0 354.292 2.176 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)c2ccc(S(=O)(=O)C3CCC3)cc2)CC1 ZINC000581119729 671865584 /nfs/dbraw/zinc/86/55/84/671865584.db2.gz ABVJQSBGNLEUQI-UHFFFAOYSA-N 1 0 362.495 2.393 20 30 FEEDRO C[C@H](CC#N)N(C)S(=O)(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000581738085 671932392 /nfs/dbraw/zinc/93/23/92/671932392.db2.gz AQQODMQXOIYPAH-DOMZBBRYSA-N 1 0 358.895 2.011 20 30 FEEDRO N#Cc1c(F)cccc1S(=O)(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000121757725 671956834 /nfs/dbraw/zinc/95/68/34/671956834.db2.gz CIVPJVXMBNQXKD-CXAGYDPISA-N 1 0 363.458 2.335 20 30 FEEDRO C[NH+](C)CCN(Cc1cccs1)C(=O)C#Cc1ccc2c(c1)OCO2 ZINC000122337127 671965230 /nfs/dbraw/zinc/96/52/30/671965230.db2.gz ZWRHFOAGQUPLEY-UHFFFAOYSA-N 1 0 356.447 2.419 20 30 FEEDRO CCC[N@H+](CC)C[C@H](C)NC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1 ZINC000582518254 672008472 /nfs/dbraw/zinc/00/84/72/672008472.db2.gz NDLMMXNSJIJZDO-LBPRGKRZSA-N 1 0 350.850 2.387 20 30 FEEDRO Cc1cc(SCC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)ccc1C#N ZINC000582785443 672033938 /nfs/dbraw/zinc/03/39/38/672033938.db2.gz HMCAHSXJYHXLEM-KRWDZBQOSA-N 1 0 361.511 2.432 20 30 FEEDRO CCN(CCC#N)S(=O)(=O)NC[C@H](c1ccc(SC)cc1)[NH+](C)C ZINC000583569466 672107920 /nfs/dbraw/zinc/10/79/20/672107920.db2.gz AQKMZVUHBFWPGA-MRXNPFEDSA-N 1 0 370.544 2.081 20 30 FEEDRO CC[NH+](CC)CC#C[C@H](C)OC(=O)c1ccc(C)c(NS(C)(=O)=O)c1 ZINC000134027092 672118406 /nfs/dbraw/zinc/11/84/06/672118406.db2.gz UVCUHPOTUUKZCK-HNNXBMFYSA-N 1 0 366.483 2.257 20 30 FEEDRO CC(C)CNS(=O)(=O)c1ccc(CNC(=[NH2+])NC2CCCCC2)cc1 ZINC000134240238 672121192 /nfs/dbraw/zinc/12/11/92/672121192.db2.gz QZZXIJHZBNMPKK-UHFFFAOYSA-N 1 0 366.531 2.358 20 30 FEEDRO CC[NH+]=C(NCC1CCN(C(C)=O)CC1)N1CCS[C@@H](C(C)C)C1 ZINC000153762744 672204273 /nfs/dbraw/zinc/20/42/73/672204273.db2.gz IBHSWCSAHCFNFH-QGZVFWFLSA-N 1 0 354.564 2.284 20 30 FEEDRO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCCC[C@@H]2CCNS(C)(=O)=O)cc1 ZINC000159401740 672281560 /nfs/dbraw/zinc/28/15/60/672281560.db2.gz SZUUXCQXECHQKD-DOTOQJQBSA-N 1 0 365.499 2.271 20 30 FEEDRO CC[NH+]=C(NCC1CCN(S(C)(=O)=O)CC1)N[C@@H]1CCC[C@H](CC)C1 ZINC000166779979 672319844 /nfs/dbraw/zinc/31/98/44/672319844.db2.gz IIRPYNGXVUSYAV-DOTOQJQBSA-N 1 0 372.579 2.182 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N2CC[C@H](CN(CC)CC(F)(F)F)C2)CC1 ZINC000175673031 672369595 /nfs/dbraw/zinc/36/95/95/672369595.db2.gz CYOKKPRWHPGIAF-OAHLLOKOSA-N 1 0 359.436 2.064 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N2CC[C@@H](CN(CC)CC(F)(F)F)C2)CC1 ZINC000175673007 672369686 /nfs/dbraw/zinc/36/96/86/672369686.db2.gz CYOKKPRWHPGIAF-HNNXBMFYSA-N 1 0 359.436 2.064 20 30 FEEDRO N#Cc1c(Br)cccc1N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000589569676 672532083 /nfs/dbraw/zinc/53/20/83/672532083.db2.gz NLAXYQOGNWIJAY-HOTGVXAUSA-N 1 0 350.260 2.356 20 30 FEEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]CCc1ccc(S(N)(=O)=O)cc1 ZINC000611390705 676035258 /nfs/dbraw/zinc/03/52/58/676035258.db2.gz PWSMVIVZTGZURK-IBGZPJMESA-N 1 0 355.463 2.415 20 30 FEEDRO N#Cc1cc(Cl)c(C(=O)NC[C@H]2CCC[N@H+]2CCCO)c(Cl)c1 ZINC000590774136 672615914 /nfs/dbraw/zinc/61/59/14/672615914.db2.gz WHFNZARAEAIGML-GFCCVEGCSA-N 1 0 356.253 2.442 20 30 FEEDRO C=CC[N@H+](CCOC)CCC(=O)Nc1sc2c(c1C(N)=O)CCCC2 ZINC000191100298 672658916 /nfs/dbraw/zinc/65/89/16/672658916.db2.gz PWQNYRWUHXGCGB-UHFFFAOYSA-N 1 0 365.499 2.189 20 30 FEEDRO CN(CCC#N)C[C@H](O)C[NH2+][C@H]1CCOc2ccc(Br)cc21 ZINC000591240861 672660824 /nfs/dbraw/zinc/66/08/24/672660824.db2.gz SDAJWHJMZZDDOW-HIFRSBDPSA-N 1 0 368.275 2.069 20 30 FEEDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)C#Cc1ccc(C(F)(F)F)cc1 ZINC000191268478 672662535 /nfs/dbraw/zinc/66/25/35/672662535.db2.gz LISFSBXJTNZVBP-MRXNPFEDSA-N 1 0 354.372 2.284 20 30 FEEDRO CC(C)[C@H]1CN(C(=O)C(=O)Nc2ccccc2SCCC#N)CC[NH2+]1 ZINC000591303122 672667611 /nfs/dbraw/zinc/66/76/11/672667611.db2.gz JISYJLGZQLAYIP-OAHLLOKOSA-N 1 0 360.483 2.087 20 30 FEEDRO N#Cc1cnc2c(F)ccc(Cl)c2c1N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000591439490 672681076 /nfs/dbraw/zinc/68/10/76/672681076.db2.gz FZHWDKZIKDNNKF-CYBMUJFWSA-N 1 0 359.836 2.383 20 30 FEEDRO CC(C)[C@@H]1OCCC[C@@H]1C[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000591749257 672707544 /nfs/dbraw/zinc/70/75/44/672707544.db2.gz KODVMMIDLPDYIN-AEFFLSMTSA-N 1 0 350.484 2.373 20 30 FEEDRO C=C[C@@](C)(CCOC)C(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000682157863 672738544 /nfs/dbraw/zinc/73/85/44/672738544.db2.gz SNLIXNZMGFLJJE-NSHGMRRFSA-N 1 0 351.535 2.232 20 30 FEEDRO N#CC[C@@]1(O)CC[N@H+](CCC(=O)Nc2ccc(Br)cc2)C1 ZINC000592146839 672764176 /nfs/dbraw/zinc/76/41/76/672764176.db2.gz KVEKQMIPSDMWBV-OAHLLOKOSA-N 1 0 352.232 2.128 20 30 FEEDRO N#CCc1ccc(CS(=O)(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC000592391042 672796681 /nfs/dbraw/zinc/79/66/81/672796681.db2.gz RVFBEQXGKOSYFB-RBUKOAKNSA-N 1 0 361.511 2.294 20 30 FEEDRO CCCS(=O)(=O)N1CCC([NH2+]Cc2ccc(O[C@H](C)C#N)cc2)CC1 ZINC000236794334 672803672 /nfs/dbraw/zinc/80/36/72/672803672.db2.gz WKGACWPFHZSXGV-OAHLLOKOSA-N 1 0 365.499 2.271 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)Nc2nnc(Cc3ccccc3)s2)CC1 ZINC000592524147 672810583 /nfs/dbraw/zinc/81/05/83/672810583.db2.gz IDDFGERQVURVMD-UHFFFAOYSA-N 1 0 357.483 2.901 20 30 FEEDRO C=CCN1C(=S)N=NC1c1sc(NC(=O)CC(C)(C)[NH3+])nc1C ZINC000237581365 672810850 /nfs/dbraw/zinc/81/08/50/672810850.db2.gz RGXFJJXCWHHAIY-UHFFFAOYSA-N 1 0 352.489 2.251 20 30 FEEDRO Cc1nnc(-c2cccc(C#N)c2)n1C[N@@H+]1CCS[C@H]2COCC[C@H]21 ZINC000246915579 672844050 /nfs/dbraw/zinc/84/40/50/672844050.db2.gz MTVJVEMVRVQEKT-SJORKVTESA-N 1 0 355.467 2.289 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH+]1CCC(CO)(OC)CC1 ZINC000683677107 672865524 /nfs/dbraw/zinc/86/55/24/672865524.db2.gz JCYNFVBVRRJLII-HNNXBMFYSA-N 1 0 352.500 2.125 20 30 FEEDRO O=C(NCC[NH2+]Cc1ccc(Br)cc1)C1N=CC=CC1=O ZINC000255405495 672890578 /nfs/dbraw/zinc/89/05/78/672890578.db2.gz GICKFHJWQVLMKK-CCEZHUSRSA-N 1 0 350.216 2.065 20 30 FEEDRO C[NH+]=C(NCc1nc(-c2ccc(Cl)cc2)no1)N(C)C[C@H]1CCOC1 ZINC000261647419 672900457 /nfs/dbraw/zinc/90/04/57/672900457.db2.gz MCIMBHUGSLGNSN-GFCCVEGCSA-N 1 0 363.849 2.434 20 30 FEEDRO Cc1nnc(CNC(NC[C@@H]2CCCS2)=[NH+]C2CCCCC2)n1C ZINC000261662360 672900746 /nfs/dbraw/zinc/90/07/46/672900746.db2.gz AVCWJUJHMDMPTN-HNNXBMFYSA-N 1 0 350.536 2.387 20 30 FEEDRO CC[NH+]=C(NCc1cn(C)nc1C(F)(F)F)N1CC[C@]2(CCOC2)C1 ZINC000261940147 672905362 /nfs/dbraw/zinc/90/53/62/672905362.db2.gz DKAWZCWOXRRTPZ-HNNXBMFYSA-N 1 0 359.396 2.017 20 30 FEEDRO CC[NH+]=C(NC[C@@H]1CCN(S(C)(=O)=O)C1)NC1CCC(C(C)C)CC1 ZINC000261944851 672905818 /nfs/dbraw/zinc/90/58/18/672905818.db2.gz FMLRFKPUNKTVAZ-GTPINHCMSA-N 1 0 372.579 2.038 20 30 FEEDRO CC(C)NS(=O)(=O)c1cccc(CNC(=[NH2+])NC2CCCCC2)c1 ZINC000261971387 672906337 /nfs/dbraw/zinc/90/63/37/672906337.db2.gz DHHGDKKXWNLHQO-UHFFFAOYSA-N 1 0 352.504 2.110 20 30 FEEDRO C[NH+]=C(NC[C@@H](O)c1cc(Cl)cc(Cl)c1)NCC1(O)CCCC1 ZINC000261978138 672906475 /nfs/dbraw/zinc/90/64/75/672906475.db2.gz RBDFZHXIJZKBQU-CQSZACIVSA-N 1 0 360.285 2.497 20 30 FEEDRO C[NH+]=C(NCCc1nc(C(F)(F)F)cs1)N1CC[C@]2(CCOC2)C1 ZINC000261984164 672906944 /nfs/dbraw/zinc/90/69/44/672906944.db2.gz PPJYDCMSTMKXQC-AWEZNQCLSA-N 1 0 362.421 2.392 20 30 FEEDRO CC[NH+]=C(NCCc1cccc(Cl)c1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000262004663 672907514 /nfs/dbraw/zinc/90/75/14/672907514.db2.gz VJHXWIMOKCRSFS-UHFFFAOYSA-N 1 0 371.934 2.357 20 30 FEEDRO COc1cccc(CNC(=[NH2+])N2CCN(c3ccc(Cl)cc3)CC2)n1 ZINC000262012717 672907795 /nfs/dbraw/zinc/90/77/95/672907795.db2.gz UTUHXJGSGIGMDD-UHFFFAOYSA-N 1 0 359.861 2.381 20 30 FEEDRO CC[NH+]=C(NC[C@@]1(O)CCSC1)N(C)Cc1nc2c(s1)CCCC2 ZINC000262451246 672915857 /nfs/dbraw/zinc/91/58/57/672915857.db2.gz WAFMVNXORBNTAC-KRWDZBQOSA-N 1 0 368.572 2.287 20 30 FEEDRO C[NH+]=C(NC[C@]1(N2CCOCC2)CCSC1)N1CC[C@@H](CC(C)C)C1 ZINC000262468656 672916385 /nfs/dbraw/zinc/91/63/85/672916385.db2.gz OHONSAXSUZLXLI-PKOBYXMFSA-N 1 0 368.591 2.138 20 30 FEEDRO C=C(C)CNC(=[NH+]C[C@@H]1CCS(=O)(=O)C1)N1CC[C@@H](C)C2(CCC2)C1 ZINC000262456467 672916479 /nfs/dbraw/zinc/91/64/79/672916479.db2.gz WUUFCLYUBZJWFH-SJORKVTESA-N 1 0 367.559 2.455 20 30 FEEDRO CN1CC[NH+]=C1NCCSCCOc1cccc(Br)c1 ZINC000262665800 672918608 /nfs/dbraw/zinc/91/86/08/672918608.db2.gz OPRGAPSHSNCWFV-UHFFFAOYSA-N 1 0 358.305 2.452 20 30 FEEDRO C[NH+]=C(NCc1cc(F)ccc1SC)N[C@@H]1CCc2nc(C)nn2C1 ZINC000262768676 672920437 /nfs/dbraw/zinc/92/04/37/672920437.db2.gz IDLOXNKFHZOLOK-CQSZACIVSA-N 1 0 362.478 2.128 20 30 FEEDRO N#Cc1cc(Br)ccc1CC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000593415861 672920575 /nfs/dbraw/zinc/92/05/75/672920575.db2.gz SCLJQDSXUSOCEE-GFCCVEGCSA-N 1 0 362.271 2.464 20 30 FEEDRO COc1cc(CNC(=[NH2+])N2CCSCC2)ccc1OCC(F)(F)F ZINC000303886568 673018713 /nfs/dbraw/zinc/01/87/13/673018713.db2.gz KFNXFHBSSKLLCG-UHFFFAOYSA-N 1 0 363.405 2.500 20 30 FEEDRO CN(C)C(=[NH+]CCCNC(=O)c1ccc(Br)cc1)N(C)C ZINC000303975511 673018981 /nfs/dbraw/zinc/01/89/81/673018981.db2.gz JCTQLSCEZMLYEZ-UHFFFAOYSA-N 1 0 355.280 2.048 20 30 FEEDRO CCC(CC)(CCO)CNC(=[NH2+])N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000304781026 673020838 /nfs/dbraw/zinc/02/08/38/673020838.db2.gz GCJBLDNNCSUQBK-UHFFFAOYSA-N 1 0 356.511 2.043 20 30 FEEDRO CCCCCCNC(=[NH2+])NCCNS(=O)(=O)c1cc(C)sc1C ZINC000305217029 673021361 /nfs/dbraw/zinc/02/13/61/673021361.db2.gz RNNFAOXCMVQADT-UHFFFAOYSA-N 1 0 360.549 2.128 20 30 FEEDRO Cc1nc(CCNC(=[NH2+])N2CCN(C(=O)OC(C)(C)C)CC2)sc1C ZINC000305049206 673021504 /nfs/dbraw/zinc/02/15/04/673021504.db2.gz CEYKVHTZHMOPNX-UHFFFAOYSA-N 1 0 367.519 2.170 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)N[C@@H](C[C@H]1CCCO1)C(F)(F)F ZINC000594180378 673040971 /nfs/dbraw/zinc/04/09/71/673040971.db2.gz ZNBXCNLEERXBDC-KGLIPLIRSA-N 1 0 364.412 2.363 20 30 FEEDRO O=C(CSc1nncs1)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000328933862 673069733 /nfs/dbraw/zinc/06/97/33/673069733.db2.gz ITQZKGLPNVRBQB-OLZOCXBDSA-N 1 0 356.517 2.355 20 30 FEEDRO CCS(=O)(=O)Nc1ccc(NC(=O)[C@@H]([NH3+])CCCCC#N)cc1C ZINC000594429567 673070933 /nfs/dbraw/zinc/07/09/33/673070933.db2.gz UGZOZCXCIUKWNE-AWEZNQCLSA-N 1 0 352.460 2.106 20 30 FEEDRO COC(=O)[C@H](NC(=O)[C@H]([NH3+])CCCCC#N)c1ccc(Cl)c(F)c1 ZINC000594443188 673072213 /nfs/dbraw/zinc/07/22/13/673072213.db2.gz NOULRQZQKDBRFJ-ZIAGYGMSSA-N 1 0 355.797 2.221 20 30 FEEDRO N#CCCCC[C@@H]([NH3+])C(=O)NCCNc1cccc(Br)c1 ZINC000594443564 673072610 /nfs/dbraw/zinc/07/26/10/673072610.db2.gz RMZGDMKCUFJLHZ-CQSZACIVSA-N 1 0 353.264 2.388 20 30 FEEDRO CC(C)(C)OC(=O)NC1CCN(CC[NH2+]Cc2nc(C#N)cs2)CC1 ZINC000721857480 673084320 /nfs/dbraw/zinc/08/43/20/673084320.db2.gz FAUJLZJUARTEIR-UHFFFAOYSA-N 1 0 365.503 2.093 20 30 FEEDRO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000595109448 673194657 /nfs/dbraw/zinc/19/46/57/673194657.db2.gz GUYCIJFRAIYEGQ-DZGCQCFKSA-N 1 0 361.492 2.454 20 30 FEEDRO C[NH+]1CCC(NC(=S)N2CCC(Oc3ccc(C#N)cc3)CC2)CC1 ZINC000728790576 673211771 /nfs/dbraw/zinc/21/17/71/673211771.db2.gz DAHFPYIPYJDTCC-UHFFFAOYSA-N 1 0 358.511 2.370 20 30 FEEDRO C[C@H](CC#N)N(C)S(=O)(=O)N1CCC2(CCC([NH+](C)C)CC2)CC1 ZINC000595346666 673228883 /nfs/dbraw/zinc/22/88/83/673228883.db2.gz HGSZOILOIXJIAD-OAHLLOKOSA-N 1 0 356.536 2.052 20 30 FEEDRO C=C(Br)CNC(=O)NCCc1ccc(OCC[NH+](C)C)cc1 ZINC000729228242 673228972 /nfs/dbraw/zinc/22/89/72/673228972.db2.gz PYXGIBZFRZYIPW-UHFFFAOYSA-N 1 0 370.291 2.377 20 30 FEEDRO CCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccc(C#N)c(Br)c2)C1 ZINC000595355927 673231885 /nfs/dbraw/zinc/23/18/85/673231885.db2.gz STDFXMUHQXPXOA-GFCCVEGCSA-N 1 0 372.288 2.083 20 30 FEEDRO C#CC[N@H+]1CCC[C@@H]1COC(=O)c1cc2c(c(Br)c1)OCO2 ZINC000729812349 673249080 /nfs/dbraw/zinc/24/90/80/673249080.db2.gz SQEDJYJRRCRCJP-GFCCVEGCSA-N 1 0 366.211 2.432 20 30 FEEDRO CC(C)[NH+]1CCC(NC(=O)N2CCN(c3ccsc3C#N)CC2)CC1 ZINC000595427858 673249687 /nfs/dbraw/zinc/24/96/87/673249687.db2.gz TYMDODIXCMYXAH-UHFFFAOYSA-N 1 0 361.515 2.324 20 30 FEEDRO CCC[N@@H+]1CC[C@@H](CNC(=O)N2CCN(c3ccsc3C#N)CC2)C1 ZINC000595544652 673263703 /nfs/dbraw/zinc/26/37/03/673263703.db2.gz BPOUPISNJAYFND-HNNXBMFYSA-N 1 0 361.515 2.183 20 30 FEEDRO CCC[N@@H+]1CC[C@H](CNC(=O)N2CCN(c3ccsc3C#N)CC2)C1 ZINC000595544653 673263951 /nfs/dbraw/zinc/26/39/51/673263951.db2.gz BPOUPISNJAYFND-OAHLLOKOSA-N 1 0 361.515 2.183 20 30 FEEDRO C=CCCn1cc(C[NH2+]C2(CC(=O)OC(C)(C)C)CCOCC2)nn1 ZINC000595552407 673265174 /nfs/dbraw/zinc/26/51/74/673265174.db2.gz ZIZHWAJWBVKHHH-UHFFFAOYSA-N 1 0 350.463 2.225 20 30 FEEDRO N#Cc1ccc(CNC(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)cc1Cl ZINC000595601172 673272334 /nfs/dbraw/zinc/27/23/34/673272334.db2.gz NYCUBQPDIMLMRE-MRXNPFEDSA-N 1 0 362.861 2.264 20 30 FEEDRO C#Cc1cccc(NC(=S)N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)c1 ZINC000730467174 673281633 /nfs/dbraw/zinc/28/16/33/673281633.db2.gz BNXIXFZSDBBPCM-LJQANCHMSA-N 1 0 356.539 2.467 20 30 FEEDRO C[N@H+](CCCNc1ccc(S(N)(=O)=O)cc1C#N)Cc1ccccc1 ZINC000731902152 673347178 /nfs/dbraw/zinc/34/71/78/673347178.db2.gz WXTAEDDSGYHKRQ-UHFFFAOYSA-N 1 0 358.467 2.140 20 30 FEEDRO C[NH+](C)CCCNC(=S)NN=Cc1cc(Br)ccc1F ZINC000731928104 673348335 /nfs/dbraw/zinc/34/83/35/673348335.db2.gz DKYSDUVTJDRMGV-UHFFFAOYSA-N 1 0 361.284 2.338 20 30 FEEDRO C[C@@H](c1ccccc1)[C@@H](O)C[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000596067787 673355489 /nfs/dbraw/zinc/35/54/89/673355489.db2.gz AMINNPKVGYPXSM-KXBFYZLASA-N 1 0 358.463 2.086 20 30 FEEDRO N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CCSC3(CCOCC3)C2)cc1 ZINC000613749181 676145249 /nfs/dbraw/zinc/14/52/49/676145249.db2.gz RMZBHHJAFRWUEY-KRWDZBQOSA-N 1 0 362.495 2.090 20 30 FEEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1S[C@@H]1CCCN(C)C1=O ZINC000539805253 673507287 /nfs/dbraw/zinc/50/72/87/673507287.db2.gz WMHCCCDOJSBCPQ-OAHLLOKOSA-N 1 0 363.531 2.205 20 30 FEEDRO CCC[N@@H+]1CC[C@@H](NC(=O)Cc2ccc(Br)cc2C#N)C1 ZINC000598341622 673561497 /nfs/dbraw/zinc/56/14/97/673561497.db2.gz DWBIRLZIEZCMTK-OAHLLOKOSA-N 1 0 350.260 2.464 20 30 FEEDRO CC(C)(C#N)C[C@@H](O)C[NH2+]C[C@H](O)COc1cccc(C(F)(F)F)c1 ZINC000598699155 673599847 /nfs/dbraw/zinc/59/98/47/673599847.db2.gz BWWAZDPTAXMYLI-KGLIPLIRSA-N 1 0 360.376 2.335 20 30 FEEDRO CC(C)(C)NS(=O)(=O)c1ccccc1C[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000598720757 673603122 /nfs/dbraw/zinc/60/31/22/673603122.db2.gz QMSZAVDZKQUWCZ-OAHLLOKOSA-N 1 0 367.515 2.154 20 30 FEEDRO CC(C)(C#N)C[C@H](O)C[NH2+][C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000598722973 673603503 /nfs/dbraw/zinc/60/35/03/673603503.db2.gz FELOYHHDQPIUOO-WFASDCNBSA-N 1 0 353.825 2.475 20 30 FEEDRO CC(C)(C#N)C[C@@H](O)C[NH2+]C[C@@H](CO)Cc1ccccc1Br ZINC000598728903 673603922 /nfs/dbraw/zinc/60/39/22/673603922.db2.gz FZIGABJRYXPKQD-DZGCQCFKSA-N 1 0 369.303 2.490 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)c2ccc(S(=O)(=O)C(C)C)cc2)CC1 ZINC000740736492 673651707 /nfs/dbraw/zinc/65/17/07/673651707.db2.gz WLAXQNQTCQLRCD-UHFFFAOYSA-N 1 0 362.495 2.086 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)Cc2csc(-c3cccnc3)n2)CC1 ZINC000740735885 673651850 /nfs/dbraw/zinc/65/18/50/673651850.db2.gz STLPLOSKPHXLBG-UHFFFAOYSA-N 1 0 354.479 2.352 20 30 FEEDRO CC(C)(C)OC(=O)C1CC[NH+](C[C@@H](O)CC2(C#N)CCOCC2)CC1 ZINC000599281870 673653163 /nfs/dbraw/zinc/65/31/63/673653163.db2.gz WUJYLYRCAPKLLL-INIZCTEOSA-N 1 0 352.475 2.111 20 30 FEEDRO C[S@](=O)C[C@@H]([NH2+]C[C@@H](O)COc1ccccc1C#N)c1ccccc1 ZINC000599356927 673663078 /nfs/dbraw/zinc/66/30/78/673663078.db2.gz OPPWXNMRSAMCAZ-GAKIBJFNSA-N 1 0 358.463 2.007 20 30 FEEDRO CO[C@@]1(C(F)(F)F)CCC[N@H+](C[C@H](O)COc2ccccc2C#N)C1 ZINC000599380546 673666886 /nfs/dbraw/zinc/66/68/86/673666886.db2.gz VFFSPUZLYYRBOA-HOCLYGCPSA-N 1 0 358.360 2.341 20 30 FEEDRO N#CC1(C[C@H](O)C[NH2+][C@@H](CO)c2ccc(Br)c(F)c2)CC1 ZINC000599425419 673674421 /nfs/dbraw/zinc/67/44/21/673674421.db2.gz GKTXOACFVZQANW-FZMZJTMJSA-N 1 0 357.223 2.266 20 30 FEEDRO Cc1nsc(NC(=O)NCCNc2cc(C)nc(C(C)C)n2)c1C#N ZINC000599785900 673717064 /nfs/dbraw/zinc/71/70/64/673717064.db2.gz DRCPNPOMSDRFBC-UHFFFAOYSA-N 1 0 359.459 2.779 20 30 FEEDRO CCO[C@H](CC[NH+](C)C)CNC(=O)Nc1cc(OC)c(C#N)cc1F ZINC000599817230 673720279 /nfs/dbraw/zinc/72/02/79/673720279.db2.gz RKSAONBGLVBZIW-CYBMUJFWSA-N 1 0 352.410 2.184 20 30 FEEDRO C[NH+](C)CC1(CNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)CCCC1 ZINC000545373723 673764531 /nfs/dbraw/zinc/76/45/31/673764531.db2.gz KFACXYKAWLTAMT-GOSISDBHSA-N 1 0 351.491 2.486 20 30 FEEDRO C=CCCc1nc(-c2cccc(S(=O)(=O)NCCC[NH+](C)C)c2)no1 ZINC000545647471 673773948 /nfs/dbraw/zinc/77/39/48/673773948.db2.gz QMWZJJHFYWRCLP-UHFFFAOYSA-N 1 0 364.471 2.085 20 30 FEEDRO N#C[C@H](c1cccs1)N1CCN(C(=O)C[N@@H+]2CC[C@@H]3CCC[C@H]32)CC1 ZINC000614600339 676182916 /nfs/dbraw/zinc/18/29/16/676182916.db2.gz FXZBJXRFDSMFJC-GVDBMIGSSA-N 1 0 358.511 2.331 20 30 FEEDRO COc1ccc(Cl)cc1NC(=O)CC[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000600730310 673795081 /nfs/dbraw/zinc/79/50/81/673795081.db2.gz OIOVUQZQHCXERR-ZDUSSCGKSA-N 1 0 351.834 2.322 20 30 FEEDRO N#CCc1ccccc1S(=O)(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000601341500 673845125 /nfs/dbraw/zinc/84/51/25/673845125.db2.gz DDNUSOIKRSIETL-DLBZAZTESA-N 1 0 359.426 2.007 20 30 FEEDRO N#Cc1cc(S(=O)(=O)N2CCCCC[C@@H]([NH3+])C2)ccc1C(F)(F)F ZINC000601344909 673845786 /nfs/dbraw/zinc/84/57/86/673845786.db2.gz IGFKITNGTOEDNW-GFCCVEGCSA-N 1 0 361.389 2.469 20 30 FEEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+]Cc2cccc3c2CCOC3)c1 ZINC000601968322 673900635 /nfs/dbraw/zinc/90/06/35/673900635.db2.gz KMOPMVYICZVOQH-UHFFFAOYSA-N 1 0 356.447 2.194 20 30 FEEDRO N#Cc1cc(Br)ccc1Cn1cc(CSCC[NH3+])nn1 ZINC000603244894 673919445 /nfs/dbraw/zinc/91/94/45/673919445.db2.gz WLYCGKUSZUAMDZ-UHFFFAOYSA-N 1 0 352.261 2.152 20 30 FEEDRO C[NH+](C)[C@@H](CNc1ccc(C#N)cc1CS(N)(=O)=O)c1cccs1 ZINC000603276569 673921075 /nfs/dbraw/zinc/92/10/75/673921075.db2.gz PSYFLSBYDMHHOG-HNNXBMFYSA-N 1 0 364.496 2.123 20 30 FEEDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNc2ccc(C#N)cc2CS(N)(=O)=O)C1 ZINC000603283024 673921988 /nfs/dbraw/zinc/92/19/88/673921988.db2.gz GQNXKKURXBFZRT-HUUCEWRRSA-N 1 0 364.515 2.127 20 30 FEEDRO CC[S@](=O)[C@@H]1CCC[C@H]([NH2+]CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000566791632 675243159 /nfs/dbraw/zinc/24/31/59/675243159.db2.gz CRRRDKGEAVIKHP-PXAQALGRSA-N 1 0 368.524 2.001 20 30 FEEDRO CN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)C1CC[NH+](C)CC1 ZINC000818996809 675251224 /nfs/dbraw/zinc/25/12/24/675251224.db2.gz LZUCTCXSBYPLMO-HNNXBMFYSA-N 1 0 352.479 2.126 20 30 FEEDRO CC[N@@H+]1CC[C@H](CNC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)C1 ZINC000819143507 675264338 /nfs/dbraw/zinc/26/43/38/675264338.db2.gz GPYZOPYKVCQDLS-CABCVRRESA-N 1 0 352.479 2.032 20 30 FEEDRO CC[N@@H+]1CC[C@H](CNC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)C1 ZINC000819143509 675264356 /nfs/dbraw/zinc/26/43/56/675264356.db2.gz GPYZOPYKVCQDLS-HUUCEWRRSA-N 1 0 352.479 2.032 20 30 FEEDRO COc1ccc([C@@H]2C[C@H]2[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)cc1 ZINC000819278342 675277023 /nfs/dbraw/zinc/27/70/23/675277023.db2.gz SZGJMXVISGATPF-RBUKOAKNSA-N 1 0 356.447 2.486 20 30 FEEDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C ZINC000819452293 675291602 /nfs/dbraw/zinc/29/16/02/675291602.db2.gz KKYPPNDQVLCHBJ-RBSFLKMASA-N 1 0 352.479 2.125 20 30 FEEDRO CN(CCC#N)C[C@H](O)C[NH2+]C[C@H](c1ccccc1Cl)N1CCCC1 ZINC000567680236 675311938 /nfs/dbraw/zinc/31/19/38/675311938.db2.gz UGDWSPQSWAVDDR-VQIMIIECSA-N 1 0 364.921 2.273 20 30 FEEDRO C#C[C@H](NC(=O)N1CCC[N@@H+](C)CC1)c1ccc(Br)cc1 ZINC000820625435 675375216 /nfs/dbraw/zinc/37/52/16/675375216.db2.gz IPIVOMADUKAGBQ-HNNXBMFYSA-N 1 0 350.260 2.471 20 30 FEEDRO C#C[C@@H](NC(=O)N[C@H]1CCC[N@@H+](CCCO)C1)c1ccc(Cl)cc1F ZINC000820750083 675384919 /nfs/dbraw/zinc/38/49/19/675384919.db2.gz KEDHLQGRHAPUCV-WMLDXEAASA-N 1 0 367.852 2.299 20 30 FEEDRO C=CCN1C(=S)N=NC1c1sc(NC(=O)[C@H]2CC[NH2+][C@H]2C)nc1C ZINC000826532773 675690609 /nfs/dbraw/zinc/69/06/09/675690609.db2.gz YAMCZEOIRVJIMW-WPRPVWTQSA-N 1 0 364.500 2.121 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)N1CCC(C)(C(=O)OC(C)(C)C)CC1 ZINC000827114087 675730289 /nfs/dbraw/zinc/73/02/89/675730289.db2.gz DRGJICBLOSEHTO-UHFFFAOYSA-N 1 0 351.491 2.095 20 30 FEEDRO Cc1nc(N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)c(Cl)cc1C#N ZINC000603423204 675799149 /nfs/dbraw/zinc/79/91/49/675799149.db2.gz MVVUCUBJIOUJPB-MRXNPFEDSA-N 1 0 363.893 2.124 20 30 FEEDRO C[NH+](C)C1CCN(S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000604030629 675802965 /nfs/dbraw/zinc/80/29/65/675802965.db2.gz UFAGSCPKPWKVJR-UHFFFAOYSA-N 1 0 361.389 2.292 20 30 FEEDRO C#CCN(CC(=O)N(C)[C@H]1CC[N@@H+](CC)[C@H](C)C1)C(=O)OC(C)(C)C ZINC000828490354 675823407 /nfs/dbraw/zinc/82/34/07/675823407.db2.gz CSWCXPZBZZEAFV-CVEARBPZSA-N 1 0 351.491 2.188 20 30 FEEDRO C[NH+](C)CCCOC(=O)C1CN(c2ccc(Br)cc2C#N)C1 ZINC000829447320 675879020 /nfs/dbraw/zinc/87/90/20/675879020.db2.gz IMDSTVHKVUVRIJ-UHFFFAOYSA-N 1 0 366.259 2.252 20 30 FEEDRO N#CCc1ccccc1S(=O)(=O)NC[C@@H](c1ccco1)N1CCCC1 ZINC000619571999 676385339 /nfs/dbraw/zinc/38/53/39/676385339.db2.gz ITTVBHRGDZTTKN-INIZCTEOSA-N 1 0 359.451 2.461 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCC(CC)([NH+]2CCOCC2)CC1 ZINC000624163860 676567575 /nfs/dbraw/zinc/56/75/75/676567575.db2.gz NIDIIFUOQYXYKO-SJORKVTESA-N 1 0 351.491 2.006 20 30 FEEDRO CN(C)C(=O)O[C@@H]1CCC[N@H+](CCC(=O)Nc2sccc2C#N)C1 ZINC000830568869 677048152 /nfs/dbraw/zinc/04/81/52/677048152.db2.gz LLVUBQKKBWVAAV-CYBMUJFWSA-N 1 0 350.444 2.111 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2c(Cl)cccc2OC)CC1 ZINC000635049971 677088506 /nfs/dbraw/zinc/08/85/06/677088506.db2.gz BIGIFDCIKABAJT-UHFFFAOYSA-N 1 0 365.861 2.444 20 30 FEEDRO C=CC[C@H]1N(C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)CCCC1(C)C ZINC000637375372 677127286 /nfs/dbraw/zinc/12/72/86/677127286.db2.gz JPUYTDMMPNAMPC-JKSUJKDBSA-N 1 0 350.507 2.103 20 30 FEEDRO C#C[C@@H](NC(=O)NCCOCC[NH+](C)C)c1ccc(Br)cc1 ZINC000838568519 680702819 /nfs/dbraw/zinc/70/28/19/680702819.db2.gz UWJOOENKLOBEPA-OAHLLOKOSA-N 1 0 368.275 2.001 20 30 FEEDRO [NH3+]C[C@@H](NC(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1)C(F)(F)F ZINC000655914081 677672265 /nfs/dbraw/zinc/67/22/65/677672265.db2.gz CJGGYOGUCTUYSC-RXMQYKEDSA-N 1 0 361.208 2.402 20 30 FEEDRO C=CCc1cc(CNC(=O)N[C@H](C[NH3+])C(F)(F)F)cc(OC)c1OC ZINC000655913222 677672306 /nfs/dbraw/zinc/67/23/06/677672306.db2.gz FFACBOJALUPEKO-CYBMUJFWSA-N 1 0 361.364 2.121 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000656360472 677749247 /nfs/dbraw/zinc/74/92/47/677749247.db2.gz UAIINQKRRIANLM-DLBZAZTESA-N 1 0 361.511 2.396 20 30 FEEDRO C=CCOCCCNC(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000659583016 678191044 /nfs/dbraw/zinc/19/10/44/678191044.db2.gz YEMBCTBDICYQIC-YOEHRIQHSA-N 1 0 353.413 2.302 20 30 FEEDRO C=CCN(CC(=O)Nc1cc(Cl)ccc1-n1cncn1)[C@H](C)COC ZINC000661241683 678456977 /nfs/dbraw/zinc/45/69/77/678456977.db2.gz AJESYUOJEMGSNA-CYBMUJFWSA-N 1 0 363.849 2.382 20 30 FEEDRO C=CC[C@]1(C(=O)Nc2cccc(S(=O)(=O)N[C@H](C)CC)c2)CCC[NH2+]1 ZINC000662645035 678646485 /nfs/dbraw/zinc/64/64/85/678646485.db2.gz HBBHJVSZZAGCQP-RDTXWAMCSA-N 1 0 365.499 2.400 20 30 FEEDRO C=CC[C@]1(C(=O)N[C@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)cc2)CCC[NH2+]1 ZINC000662806072 678663416 /nfs/dbraw/zinc/66/34/16/678663416.db2.gz OHOSXUOGGSSMTC-VDZJLULYSA-N 1 0 361.873 2.426 20 30 FEEDRO CCOCCC[N@@H+]1CCC(=NNS(=O)(=O)c2ccc(F)cc2)[C@@H](C)C1 ZINC000764721689 680819550 /nfs/dbraw/zinc/81/95/50/680819550.db2.gz QXTDQPXCDDSMGM-AWEZNQCLSA-N 1 0 371.478 2.228 20 30 FEEDRO C=C[C@](C)(O)C(=O)NC1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000668911198 679208271 /nfs/dbraw/zinc/20/82/71/679208271.db2.gz PUBSSMDHFXNKDW-SFHVURJKSA-N 1 0 352.862 2.236 20 30 FEEDRO CC[C@@H](c1nnc(NC(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)s1)c1ccccc1 ZINC000841110419 680863767 /nfs/dbraw/zinc/86/37/67/680863767.db2.gz HVBGLCGCUOFCEX-BFHYXJOUSA-N 1 0 356.455 2.313 20 30 FEEDRO C#CCC[NH+]1CCC(NS(=O)(=O)c2ccccc2C(F)(F)F)CC1 ZINC000748671426 679986046 /nfs/dbraw/zinc/98/60/46/679986046.db2.gz LOWZGYDAEJSURL-UHFFFAOYSA-N 1 0 360.401 2.471 20 30 FEEDRO CC(=NOCC(C)C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000749631950 680063478 /nfs/dbraw/zinc/06/34/78/680063478.db2.gz SVYUAISNEAQKHC-UHFFFAOYSA-N 1 0 355.504 2.313 20 30 FEEDRO C=C(Br)CN1CC[C@@]2(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCC[C@@H]12 ZINC000990759560 680072075 /nfs/dbraw/zinc/07/20/75/680072075.db2.gz CZPZSRWGSGIYKN-ANQUJSFKSA-N 1 0 370.335 2.348 20 30 FEEDRO C=C(Br)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2ccncc2)C1 ZINC001020171878 680102183 /nfs/dbraw/zinc/10/21/83/680102183.db2.gz AWXXOUYALYPKNR-ZQDZILKHSA-N 1 0 350.260 2.331 20 30 FEEDRO C#C[C@H](C)NC(=O)C(=O)Nc1ccc(SCC[NH+]2CCCCC2)cc1 ZINC000832373070 680128029 /nfs/dbraw/zinc/12/80/29/680128029.db2.gz BKCICDGHYFTWAI-HNNXBMFYSA-N 1 0 359.495 2.341 20 30 FEEDRO C[C@H]1C[N@H+](Cc2ccccc2)CC1N=Nc1ccc(S(N)(=O)=O)cc1 ZINC000751518166 680184803 /nfs/dbraw/zinc/18/48/03/680184803.db2.gz ZSQKUELMDSXIMG-AWEZNQCLSA-N 1 0 358.467 2.254 20 30 FEEDRO CC(C)Oc1cc(Br)cc(C(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)c1 ZINC000834479951 680232999 /nfs/dbraw/zinc/23/29/99/680232999.db2.gz JWASUHZSAGHQTM-FZMZJTMJSA-N 1 0 352.232 2.078 20 30 FEEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)c1ccc(Br)cc1C(F)(F)F ZINC000834484783 680233425 /nfs/dbraw/zinc/23/34/25/680233425.db2.gz MYJHZHKOOCDIJD-HQJQHLMTSA-N 1 0 362.149 2.309 20 30 FEEDRO CC(C)Oc1cc(Br)ccc1C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000834493330 680234602 /nfs/dbraw/zinc/23/46/02/680234602.db2.gz CYHVDCMVTKIZDF-GXFFZTMASA-N 1 0 352.232 2.078 20 30 FEEDRO Cc1c2ccc(C(F)(F)F)nc2sc1C(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000834516479 680237176 /nfs/dbraw/zinc/23/71/76/680237176.db2.gz ITNUVKVCWNBSCU-SCZZXKLOSA-N 1 0 354.357 2.465 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@]2(C)CN(Cc3nccs3)C[C@@]2(C)C1 ZINC000982574468 680281375 /nfs/dbraw/zinc/28/13/75/680281375.db2.gz ODUYWJBGJCLTTA-OHQAAIJDSA-N 1 0 361.511 2.405 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC([NH2+]CCC2CCOCC2)CC1 ZINC000997080357 680346841 /nfs/dbraw/zinc/34/68/41/680346841.db2.gz OLZBKDIJBWYUBH-OALUTQOASA-N 1 0 350.503 2.365 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2nnc(CC)s2)C1 ZINC001026849789 680350080 /nfs/dbraw/zinc/35/00/80/680350080.db2.gz FUEKSHWERJFHCH-KFWWJZLASA-N 1 0 364.515 2.020 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2cccc(F)c2F)C1 ZINC001027074607 680354469 /nfs/dbraw/zinc/35/44/69/680354469.db2.gz CCTLBKMMDDLPLX-UNEWFSDZSA-N 1 0 350.409 2.494 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2cnc(Cl)s2)C1 ZINC001027075236 680354562 /nfs/dbraw/zinc/35/45/62/680354562.db2.gz ONZOQDHZHSUXID-BNOWGMLFSA-N 1 0 355.891 2.326 20 30 FEEDRO C=C(Cl)C[N@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CN(C)C[C@@H](C)O2)CC1 ZINC000998044993 680373249 /nfs/dbraw/zinc/37/32/49/680373249.db2.gz IBICDLQVHKPGFF-IXDOHACOSA-N 1 0 357.926 2.161 20 30 FEEDRO O=C(NC[C@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)C1)[C@]12C[C@H]1COC2 ZINC001028554350 680376872 /nfs/dbraw/zinc/37/68/72/680376872.db2.gz FFBCTQCNBRDKHK-UWVAXJGDSA-N 1 0 358.869 2.166 20 30 FEEDRO C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2OCCO[C@@H]2c2ccccc2)C1 ZINC000999397965 680401854 /nfs/dbraw/zinc/40/18/54/680401854.db2.gz AOWXZNPOWRTYIY-RCCFBDPRSA-N 1 0 364.873 2.476 20 30 FEEDRO C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCO[C@H]2c2nccn2C)C1 ZINC000999408609 680402232 /nfs/dbraw/zinc/40/22/32/680402232.db2.gz TVPFEDOCDPYBCK-ARFHVFGLSA-N 1 0 366.893 2.221 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2c(C)nn(C)c2Cl)C1 ZINC000999428698 680403186 /nfs/dbraw/zinc/40/31/86/680403186.db2.gz SLGPXVBWNCEDAJ-MNSOJDNVSA-N 1 0 366.893 2.052 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](CCOC2CCC2)C1 ZINC001033495834 680424556 /nfs/dbraw/zinc/42/45/56/680424556.db2.gz BISWTKLSAMCISX-WDSOQIARSA-N 1 0 350.503 2.460 20 30 FEEDRO C=C(Br)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2cncn2C)C1 ZINC001000248714 680425027 /nfs/dbraw/zinc/42/50/27/680425027.db2.gz YVCWMWPLQAODBN-BFHYXJOUSA-N 1 0 367.291 2.013 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]Cc2snnc2C)C1 ZINC001000413424 680430209 /nfs/dbraw/zinc/43/02/09/680430209.db2.gz CRSNVRJPKYJODT-ZOBUZTSGSA-N 1 0 364.515 2.298 20 30 FEEDRO C#CC[N@@H+](C)CCCNC(=O)NCc1ccc(OC)c(OC(F)F)c1 ZINC000836218542 680436586 /nfs/dbraw/zinc/43/65/86/680436586.db2.gz ZOUGYYCQHFTWNX-UHFFFAOYSA-N 1 0 355.385 2.051 20 30 FEEDRO C#CC[N@@H+](C)CCCNC(=O)NCc1cc(OC)ccc1Br ZINC000836225579 680437960 /nfs/dbraw/zinc/43/79/60/680437960.db2.gz SJYDRKVHYAUDIG-UHFFFAOYSA-N 1 0 368.275 2.212 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([N@H+](C)CC[C@@H]2CCOC2)CC1 ZINC000985435525 680447800 /nfs/dbraw/zinc/44/78/00/680447800.db2.gz NQFHSGZPNZRFTO-QRQLOZEOSA-N 1 0 350.503 2.317 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1C[N@H+](CC2CC(C)(C)C2)CCO1 ZINC001035543993 680450980 /nfs/dbraw/zinc/45/09/80/680450980.db2.gz YNPQEJZPESLRJM-BZSNNMDCSA-N 1 0 350.503 2.221 20 30 FEEDRO C=CCCC[C@@H]([NH3+])C(=O)Nc1ccc(C(=O)N2CCOCC2)c(Cl)c1 ZINC000912311048 685351418 /nfs/dbraw/zinc/35/14/18/685351418.db2.gz DDOCTXMEHPJIJZ-MRXNPFEDSA-N 1 0 365.861 2.435 20 30 FEEDRO C=CCCC[C@H]([NH3+])C(=O)Nc1ccc(C(=O)N2CCOCC2)c(Cl)c1 ZINC000912311047 685351514 /nfs/dbraw/zinc/35/15/14/685351514.db2.gz DDOCTXMEHPJIJZ-INIZCTEOSA-N 1 0 365.861 2.435 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2C[C@H](CC)OC ZINC001039593144 680464316 /nfs/dbraw/zinc/46/43/16/680464316.db2.gz IKBRYVOVBJFZKJ-APAFKAMOSA-N 1 0 350.503 2.458 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([N@H+](C)CCC2CCOCC2)CC1 ZINC000985659902 680467288 /nfs/dbraw/zinc/46/72/88/680467288.db2.gz FBKMQUSVCVBWOR-MOPGFXCFSA-N 1 0 350.503 2.317 20 30 FEEDRO C#C[C@@H](NC(=O)NCC[N@@H+]1CCCOCC1)c1ccc(Cl)cc1F ZINC000836454065 680471763 /nfs/dbraw/zinc/47/17/63/680471763.db2.gz OMXVCVIZTAIIKH-MRXNPFEDSA-N 1 0 353.825 2.175 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)N1CCN(Cc2cccc(Cl)c2)CC1 ZINC000836487640 680475788 /nfs/dbraw/zinc/47/57/88/680475788.db2.gz QHINNXBALBGLGR-UHFFFAOYSA-N 1 0 362.905 2.122 20 30 FEEDRO C#CCN(C(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1)C1CSC1 ZINC000912371821 685360163 /nfs/dbraw/zinc/36/01/63/685360163.db2.gz OXUYVCKQCCKPDV-UHFFFAOYSA-N 1 0 358.507 2.082 20 30 FEEDRO C[C@@H]1[C@H](C(=O)N(C)C2CN(CC#Cc3cccc(Cl)c3)C2)CC[N@@H+]1C ZINC001042746870 680541940 /nfs/dbraw/zinc/54/19/40/680541940.db2.gz RYUPSMSHVFEYOB-DNVCBOLYSA-N 1 0 359.901 2.174 20 30 FEEDRO C=C(Cl)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)CC1 ZINC001004472079 680556844 /nfs/dbraw/zinc/55/68/44/680556844.db2.gz ZGTOLYBICCSTIS-KBAYOESNSA-N 1 0 369.937 2.161 20 30 FEEDRO C=C(Cl)C[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)CC1 ZINC001004549363 680559881 /nfs/dbraw/zinc/55/98/81/680559881.db2.gz YHCZPTGUGNQUFK-IKGGRYGDSA-N 1 0 367.921 2.344 20 30 FEEDRO C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1Nc1nc(Cl)c(C#N)s1 ZINC001043095764 680560317 /nfs/dbraw/zinc/56/03/17/680560317.db2.gz RCIQSSKKUYCWRL-MXWKQRLJSA-N 1 0 353.879 2.021 20 30 FEEDRO C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1Nc1nc(Cl)c(C#N)s1 ZINC001043206574 680566079 /nfs/dbraw/zinc/56/60/79/680566079.db2.gz TWFQUOBOJBRHPV-GHMZBOCLSA-N 1 0 353.879 2.023 20 30 FEEDRO C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1Nc1snc(Cl)c1C#N ZINC001043452511 680582525 /nfs/dbraw/zinc/58/25/25/680582525.db2.gz ZHXOSUNJEQPGPC-RTXFEEFZSA-N 1 0 367.906 2.411 20 30 FEEDRO N#Cc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)s1 ZINC001045126779 680622725 /nfs/dbraw/zinc/62/27/25/680622725.db2.gz CMWHCYFOQGEJOT-LTUQZUHASA-N 1 0 357.479 2.124 20 30 FEEDRO C#CCNC(=S)C(C(=O)c1cccc(C(=O)OC)c1)[n+]1ccccc1 ZINC000759059116 680624438 /nfs/dbraw/zinc/62/44/38/680624438.db2.gz PXEPVAQGNBSADK-UHFFFAOYSA-O 1 0 353.423 2.195 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1cnc(Cl)s1 ZINC001045207643 680624801 /nfs/dbraw/zinc/62/48/01/680624801.db2.gz DIAVTLDFDYUGIN-YUTCNCBUSA-N 1 0 355.891 2.468 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCCC[C@]2(CC[N@H+](CCCO)C2)C1 ZINC001045973366 680642625 /nfs/dbraw/zinc/64/26/25/680642625.db2.gz PDJWGHGHROHJIC-CMKODMSKSA-N 1 0 350.503 2.055 20 30 FEEDRO C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[C@@H](Nc2snc(Cl)c2C#N)C1 ZINC001047216495 680658577 /nfs/dbraw/zinc/65/85/77/680658577.db2.gz FYMRPIAMALZSDM-DMDPSCGWSA-N 1 0 367.906 2.459 20 30 FEEDRO CCOC(=O)c1cc(C(C)(C)C)sc1NC(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000841160613 680866865 /nfs/dbraw/zinc/86/68/65/680866865.db2.gz JDVIBHHAPIIRCD-JQWIXIFHSA-N 1 0 364.471 2.455 20 30 FEEDRO CCc1c(NC(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)cnn1-c1ccc(Cl)cc1 ZINC000841214178 680869245 /nfs/dbraw/zinc/86/92/45/680869245.db2.gz FFCQAMBJLKBHEI-BXUZGUMPSA-N 1 0 358.833 2.321 20 30 FEEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)Nc1cc2ccccc2nc1Br ZINC000841215117 680869335 /nfs/dbraw/zinc/86/93/35/680869335.db2.gz JJMCTSBREBCSBR-ZWNOBZJWSA-N 1 0 360.215 2.230 20 30 FEEDRO CCc1c(NC(=O)N[C@H]2C[NH2+]C[C@H]2C#N)cnn1-c1ccccc1Cl ZINC000841214695 680869355 /nfs/dbraw/zinc/86/93/55/680869355.db2.gz QQHPSTHQJIXJAL-YPMHNXCESA-N 1 0 358.833 2.321 20 30 FEEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)Nc1nc2c(cccc2Br)s1 ZINC000841239210 680870701 /nfs/dbraw/zinc/87/07/01/680870701.db2.gz XDRCMAKCYMJLLT-CBAPKCEASA-N 1 0 366.244 2.292 20 30 FEEDRO CCC[N@H+](CC(=O)NCCC#N)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000768543985 680949805 /nfs/dbraw/zinc/94/98/05/680949805.db2.gz ZAAHCZPWGGTPPM-UHFFFAOYSA-N 1 0 352.479 2.128 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2CC[C@]3(CCC[NH2+]3)C2)cc1C(F)(F)F ZINC000842484752 680950334 /nfs/dbraw/zinc/95/03/34/680950334.db2.gz FHECHRNXVNAKTK-CQSZACIVSA-N 1 0 359.373 2.094 20 30 FEEDRO C[C@H](C[C@H](O)c1ccccc1)[NH2+]CCS(=O)(=O)c1cccc(C#N)c1 ZINC000843090246 680987009 /nfs/dbraw/zinc/98/70/09/680987009.db2.gz VPBBKWQNGDYQDY-BEFAXECRSA-N 1 0 358.463 2.434 20 30 FEEDRO CC[C@H](C)C(=O)N1CSC[C@H]1C(=O)O[C@@H](C)C#CC[NH+](CC)CC ZINC000770804945 681027847 /nfs/dbraw/zinc/02/78/47/681027847.db2.gz HKBOOTWFFKRPBO-JYJNAYRXSA-N 1 0 354.516 2.211 20 30 FEEDRO C[C@H]1CCC[N@H+](CC(=O)NCCC#N)[C@@H]1CCNC(=O)OC(C)(C)C ZINC000844399035 681056288 /nfs/dbraw/zinc/05/62/88/681056288.db2.gz ZYTWNBKCHCNHJE-LSDHHAIUSA-N 1 0 352.479 2.032 20 30 FEEDRO C[C@H]1C[N@H+](CCC(=O)N(C)CCC#N)[C@@H](C)CN1C(=O)OC(C)(C)C ZINC000772323117 681092837 /nfs/dbraw/zinc/09/28/37/681092837.db2.gz HJKVZCOQNMNFLQ-GJZGRUSLSA-N 1 0 352.479 2.078 20 30 FEEDRO C[C@H]1C[N@H+](Cc2ccccc2)CC1N=Nc1ccccc1S(N)(=O)=O ZINC000773122712 681126576 /nfs/dbraw/zinc/12/65/76/681126576.db2.gz LWJDXASPFMDUOJ-AWEZNQCLSA-N 1 0 358.467 2.254 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)Cc2ccc3c(c2)OC(F)(F)O3)CC1 ZINC000845592269 681140137 /nfs/dbraw/zinc/14/01/37/681140137.db2.gz JNYZASOAXJSKON-UHFFFAOYSA-N 1 0 350.365 2.155 20 30 FEEDRO C[C@@H]1[C@H](C(=O)N2CCC(Nc3ncc(C#N)cc3Cl)CC2)CC[N@@H+]1C ZINC001057443216 681160631 /nfs/dbraw/zinc/16/06/31/681160631.db2.gz BWOFCJPMUSNBOF-IUODEOHRSA-N 1 0 361.877 2.350 20 30 FEEDRO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](Nc3nc(Cl)c(C#N)s3)C2)CC[N@@H+]1C ZINC001059443960 681180697 /nfs/dbraw/zinc/18/06/97/681180697.db2.gz YOJZMWZLXVQHMV-GWOFURMSSA-N 1 0 353.879 2.067 20 30 FEEDRO C[N@@H+]1C[C@@H]2CN(C(=O)Nc3ccc(Br)c(C#N)n3)C[C@]2(C)C1 ZINC000932159234 681185293 /nfs/dbraw/zinc/18/52/93/681185293.db2.gz WNIZWJQYLJZCON-BMIGLBTASA-N 1 0 364.247 2.131 20 30 FEEDRO N#Cc1cc(NC(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)c(F)cc1F ZINC000932209956 681196883 /nfs/dbraw/zinc/19/68/83/681196883.db2.gz JOQHTNJLFKWBCI-ZDUSSCGKSA-N 1 0 350.369 2.211 20 30 FEEDRO C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3ccc(Br)cc3C#N)C[C@@H]2C1 ZINC000846187604 681197425 /nfs/dbraw/zinc/19/74/25/681197425.db2.gz LGZCEKIZHPLMFN-HIFRSBDPSA-N 1 0 362.271 2.273 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N2CCC[C@@](O)(c3ccc(Cl)cc3)C2)CC1 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WHOBZYYWANTEAB-BJLQDIEVSA-N 1 0 350.503 2.317 20 30 FEEDRO C[NH+](C)[C@@H]1CCCC(N=Nc2ccc(S(=O)(=O)NC(C)(C)C)cn2)C1 ZINC000788424862 682528936 /nfs/dbraw/zinc/52/89/36/682528936.db2.gz MNAQBYCCKSQCLD-CQSZACIVSA-N 1 0 367.519 2.431 20 30 FEEDRO COC(=O)CC[NH+]1CCC(=NNC(=S)Nc2ccc(F)cc2)CC1 ZINC000788699724 682551742 /nfs/dbraw/zinc/55/17/42/682551742.db2.gz JYXLXJOFLCCBCF-UHFFFAOYSA-N 1 0 352.435 2.127 20 30 FEEDRO C#CCNC(=O)C[NH2+][C@@H](Cc1ccccn1)c1ccc(Br)cc1 ZINC000789445890 682605381 /nfs/dbraw/zinc/60/53/81/682605381.db2.gz XONHFVKBIHKSGU-KRWDZBQOSA-N 1 0 372.266 2.467 20 30 FEEDRO N#Cc1ccsc1N1CC[C@H](OC(=O)c2ccc3c[nH+]cn3c2)C1=O ZINC000792547544 682820112 /nfs/dbraw/zinc/82/01/12/682820112.db2.gz ZKHZTZVBWJWXBN-AWEZNQCLSA-N 1 0 352.375 2.230 20 30 FEEDRO C#CC[C@H](COC)NC(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000859032485 683028892 /nfs/dbraw/zinc/02/88/92/683028892.db2.gz TUMYXRURRMLPNJ-MRXNPFEDSA-N 1 0 353.532 2.076 20 30 FEEDRO C=CCS(=O)(=O)CC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C12CCC2 ZINC000926126068 683079601 /nfs/dbraw/zinc/07/96/01/683079601.db2.gz ORYQELMPJPPSMU-CQSZACIVSA-N 1 0 358.504 2.109 20 30 FEEDRO C=C[C@@H]1CCCC[N@H+]1CCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000796050201 683122856 /nfs/dbraw/zinc/12/28/56/683122856.db2.gz PGRADYSYXNLQCZ-MRXNPFEDSA-N 1 0 351.491 2.496 20 30 FEEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)Nc1cc(Cl)c(Br)cc1F ZINC000859706276 683146337 /nfs/dbraw/zinc/14/63/37/683146337.db2.gz OWKOKKDFWCJUCD-KBUNVGBDSA-N 1 0 361.602 2.475 20 30 FEEDRO C#CC[N@H+]1CCC[C@@H]1COC(=O)[C@H]1N(C(=O)OC(C)(C)C)CC1(C)C ZINC000796690686 683186342 /nfs/dbraw/zinc/18/63/42/683186342.db2.gz VKXCGKPGAJKWMS-HUUCEWRRSA-N 1 0 350.459 2.273 20 30 FEEDRO N#CCSCCC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C(F)(F)F)C1 ZINC000860050519 683195056 /nfs/dbraw/zinc/19/50/56/683195056.db2.gz XADHWWDKYZPUBD-XUXIUFHCSA-N 1 0 361.433 2.364 20 30 FEEDRO C[C@H]([NH2+]C[C@H]1CCCCN1S(C)(=O)=O)c1ccc(OCC#N)cc1 ZINC000797097062 683222026 /nfs/dbraw/zinc/22/20/26/683222026.db2.gz UHFWMMIABPMMQQ-GOEBONIOSA-N 1 0 351.472 2.054 20 30 FEEDRO C#CCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCCN2S(C)(=O)=O)cc1 ZINC000797121467 683224232 /nfs/dbraw/zinc/22/42/32/683224232.db2.gz ZNXVCMKBDRAFFG-WBVHZDCISA-N 1 0 350.484 2.163 20 30 FEEDRO C#CC[N@H+]1CCC[C@H]1COC(=O)C1(C(=O)OC(C)(C)C)CCSCC1 ZINC000860530204 683256671 /nfs/dbraw/zinc/25/66/71/683256671.db2.gz SDPVMFWONCGQPG-HNNXBMFYSA-N 1 0 367.511 2.482 20 30 FEEDRO C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)C(=O)Nc1scc(C(C)(C)C)c1C#N ZINC000927819117 683318110 /nfs/dbraw/zinc/31/81/10/683318110.db2.gz MEYHKJWIGDREEE-VXGBXAGGSA-N 1 0 362.499 2.218 20 30 FEEDRO CCCCCCCCNC(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000861773088 683470312 /nfs/dbraw/zinc/47/03/12/683470312.db2.gz IEGJLZOFXZROHP-KBPBESRZSA-N 1 0 365.440 2.449 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)c2cc3c(cc2Br)OCO3)CC1 ZINC000928647877 683480939 /nfs/dbraw/zinc/48/09/39/683480939.db2.gz ACYWESNYCBWDKD-UHFFFAOYSA-N 1 0 365.227 2.005 20 30 FEEDRO Cc1cccc(S(=O)(=O)N[C@H](CC[NH+](C)C)c2cccnc2)c1C#N ZINC000921480206 683481137 /nfs/dbraw/zinc/48/11/37/683481137.db2.gz BHZYZPVOMHJJLE-QGZVFWFLSA-N 1 0 358.467 2.233 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)C[C@@H](NC(C)=O)c2ccc(Cl)cc2)CC1 ZINC000928658186 683482950 /nfs/dbraw/zinc/48/29/50/683482950.db2.gz DIKBJCPRUJTLIQ-GOSISDBHSA-N 1 0 361.873 2.121 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)[C@@H](OC)c2ccc(Br)s2)CC1 ZINC000928660806 683483247 /nfs/dbraw/zinc/48/32/47/683483247.db2.gz GVFKTCJDUIQFQY-AWEZNQCLSA-N 1 0 371.300 2.412 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)COc2ccc(F)cc2Br)CC1 ZINC000928660395 683483415 /nfs/dbraw/zinc/48/34/15/683483415.db2.gz CJFXCTQXIKAMKE-UHFFFAOYSA-N 1 0 369.234 2.181 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)c2ccc3cncc(Br)c3n2)CC1 ZINC000928660991 683483438 /nfs/dbraw/zinc/48/34/38/683483438.db2.gz WNBFMUIRJJLUPL-UHFFFAOYSA-N 1 0 373.254 2.220 20 30 FEEDRO CCN(CCC[NH2+]Cc1cc(C#N)ccc1Br)S(C)(=O)=O ZINC000921575502 683506686 /nfs/dbraw/zinc/50/66/86/683506686.db2.gz ROKUTHUDMQQHRI-UHFFFAOYSA-N 1 0 374.304 2.082 20 30 FEEDRO COCCO[C@@H]1COCC[C@H]1[NH2+]Cc1cc(C#N)ccc1Br ZINC000922018496 683637642 /nfs/dbraw/zinc/63/76/42/683637642.db2.gz MYTBZNAIOAHFLP-HZPDHXFCSA-N 1 0 369.259 2.231 20 30 FEEDRO C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)Cc1c(C)cc(C#N)cc1C ZINC000922027003 683641038 /nfs/dbraw/zinc/64/10/38/683641038.db2.gz XCRNACKGAARDTH-UHFFFAOYSA-N 1 0 359.495 2.034 20 30 FEEDRO O=S1(=O)CCC[C@@H](NN=C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000863134224 683680456 /nfs/dbraw/zinc/68/04/56/683680456.db2.gz ORASUNSVWKBSRV-QRQLOZEOSA-N 1 0 361.511 2.336 20 30 FEEDRO CN(C)S(=O)(=O)Cc1ccc(C[NH2+]Cc2ccc(C#N)c(F)c2)cc1 ZINC000922448321 683724087 /nfs/dbraw/zinc/72/40/87/683724087.db2.gz DTZXVMDRLVAJLF-UHFFFAOYSA-N 1 0 361.442 2.379 20 30 FEEDRO C#C[C@@H]([NH2+]CC1(O)CCC(C(=O)OC(C)(C)C)CC1)C1CCOCC1 ZINC000863560024 683742198 /nfs/dbraw/zinc/74/21/98/683742198.db2.gz ACGWRUMRUZDYEY-OHTSDLOESA-N 1 0 351.487 2.267 20 30 FEEDRO C#CCOc1cccc(Cl)c1C[NH2+]CC1(O)CCC2(CC1)OCCO2 ZINC000922622655 683756570 /nfs/dbraw/zinc/75/65/70/683756570.db2.gz CEJWCGAZPXTSMU-UHFFFAOYSA-N 1 0 365.857 2.490 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)Cn1nc(C(F)F)cc1C(F)F ZINC000930703346 683773222 /nfs/dbraw/zinc/77/32/22/683773222.db2.gz OJYIIJKZILKYNT-UHFFFAOYSA-N 1 0 363.359 2.452 20 30 FEEDRO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C[NH+]1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000930827522 683789722 /nfs/dbraw/zinc/78/97/22/683789722.db2.gz DRNSUWYQOFOWHB-LTIDMASMSA-N 1 0 350.507 2.408 20 30 FEEDRO C=CCOc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)S3(=O)=O)cc1OC ZINC000922851523 683793010 /nfs/dbraw/zinc/79/30/10/683793010.db2.gz DLPFAZDFXIMGGU-MQVJKMGUSA-N 1 0 351.468 2.458 20 30 FEEDRO C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1(C#N)CC[NH+](C)CC1 ZINC000865198814 683949952 /nfs/dbraw/zinc/94/99/52/683949952.db2.gz MJWLJXJHPJVYKA-CYBMUJFWSA-N 1 0 370.881 2.126 20 30 FEEDRO CN(C)c1ccc(C#N)cc1C[NH2+]C[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000865583834 684001004 /nfs/dbraw/zinc/00/10/04/684001004.db2.gz XFNIEBVIZHHMDL-MRXNPFEDSA-N 1 0 355.463 2.285 20 30 FEEDRO C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC[N@H+]1CC[C@@H](C)C1 ZINC000866271225 684087287 /nfs/dbraw/zinc/08/72/87/684087287.db2.gz GFNYSQVIHAGTIT-TZMCWYRMSA-N 1 0 359.898 2.480 20 30 FEEDRO CNS(=O)(=O)c1ccc(CC[NH2+][C@@H](C)c2ccc(C#N)cc2F)cc1 ZINC000866579991 684122677 /nfs/dbraw/zinc/12/26/77/684122677.db2.gz WGYQIQDRMLFGKW-ZDUSSCGKSA-N 1 0 361.442 2.499 20 30 FEEDRO N#Cc1cc(F)cc(S(=O)(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000866994071 684193159 /nfs/dbraw/zinc/19/31/59/684193159.db2.gz OCFLDBIUJSZOPU-RDTXWAMCSA-N 1 0 363.458 2.335 20 30 FEEDRO CC(C)S(=O)(=O)c1c(Cl)cccc1NC(=O)NCC#CC[NH+](C)C ZINC000931324489 684261978 /nfs/dbraw/zinc/26/19/78/684261978.db2.gz AXBLFXNXGYUMRN-UHFFFAOYSA-N 1 0 371.890 2.209 20 30 FEEDRO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931440861 684283292 /nfs/dbraw/zinc/28/32/92/684283292.db2.gz NQWZDTNSOGCKGY-HZSPNIEDSA-N 1 0 358.511 2.319 20 30 FEEDRO N#Cc1cc(F)cc(S(=O)(=O)NC[C@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC000867539333 684308682 /nfs/dbraw/zinc/30/86/82/684308682.db2.gz CWPJFLFIGHACNG-CQSZACIVSA-N 1 0 351.447 2.098 20 30 FEEDRO CC(C)(C)OC(=O)N1CCO[C@@]2(CC[N@H+](CCCSCC#N)C2)C1 ZINC000931852283 684356981 /nfs/dbraw/zinc/35/69/81/684356981.db2.gz OJCINNVFFKXUOC-QGZVFWFLSA-N 1 0 355.504 2.345 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)CC1 ZINC000868582119 684513720 /nfs/dbraw/zinc/51/37/20/684513720.db2.gz SKPFPVPWSYQIHQ-IYBDPMFKSA-N 1 0 351.491 2.141 20 30 FEEDRO Cc1cccc(C#N)c1S(=O)(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000871805709 684858312 /nfs/dbraw/zinc/85/83/12/684858312.db2.gz OSBBJUGWVYRIAK-DOTOQJQBSA-N 1 0 359.426 2.121 20 30 FEEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SC[C@H](O)CC(C)(C)O ZINC000871968870 684898166 /nfs/dbraw/zinc/89/81/66/684898166.db2.gz MXIIANWOUJZJGS-OAHLLOKOSA-N 1 0 368.547 2.107 20 30 FEEDRO N#CC1(C[C@@H](O)C[NH2+]Cc2ncc(Br)s2)CCOCC1 ZINC000872240870 684931028 /nfs/dbraw/zinc/93/10/28/684931028.db2.gz VBBNMOATWOJWHZ-SNVBAGLBSA-N 1 0 360.277 2.067 20 30 FEEDRO C=CCN1C(=S)N=NC1c1sc(NC(=O)[C@@H](C)[NH2+]CC)nc1C ZINC000876574331 686222254 /nfs/dbraw/zinc/22/22/54/686222254.db2.gz CCBOFVKYANZCOZ-SECBINFHSA-N 1 0 352.489 2.121 20 30 FEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000876615659 686228998 /nfs/dbraw/zinc/22/89/98/686228998.db2.gz KFPNFHPJDARTBL-OAHLLOKOSA-N 1 0 370.280 2.484 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H](CC)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000876781419 686267323 /nfs/dbraw/zinc/26/73/23/686267323.db2.gz LAAWVJDSRCWVSK-RCCFBDPRSA-N 1 0 365.905 2.252 20 30 FEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCc2cc(OC)c(OC)c(OC)c2CC1 ZINC000876897948 686290226 /nfs/dbraw/zinc/29/02/26/686290226.db2.gz OKKJOAJBXYLIGN-CQSZACIVSA-N 1 0 368.861 2.110 20 30 FEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCOC[C@H]1c1noc(-c2ccccc2)n1 ZINC000876908151 686293170 /nfs/dbraw/zinc/29/31/70/686293170.db2.gz KBVJVZNEYJRFJT-KGLIPLIRSA-N 1 0 362.817 2.106 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC(Cc2nc([C@@H]3C[C@H]3C)no2)CC1 ZINC000876945829 686299270 /nfs/dbraw/zinc/29/92/70/686299270.db2.gz JXWBYJMNXQXSGT-HONMWMINSA-N 1 0 352.866 2.444 20 30 FEEDRO C=CCNC(=O)C[NH2+][C@@H]1CC[C@@H]2[C@H](CCCN2C(=O)OC(C)(C)C)C1 ZINC000877141287 686331455 /nfs/dbraw/zinc/33/14/55/686331455.db2.gz GOOZGTVUOAORFS-BZUAXINKSA-N 1 0 351.491 2.446 20 30 FEEDRO C[C@](CO)(Cc1ccc(Cl)cc1)[NH2+]Cc1cnc2c(C#N)cnn2c1 ZINC000877715823 686444454 /nfs/dbraw/zinc/44/44/54/686444454.db2.gz JVVJIQALERSOLC-GOSISDBHSA-N 1 0 355.829 2.338 20 30 FEEDRO COc1cccc([C@@H]2CN(CC(=O)Nc3sccc3C#N)CC[NH2+]2)c1 ZINC000879525965 686845992 /nfs/dbraw/zinc/84/59/92/686845992.db2.gz SHOZUJYOJHRZEV-INIZCTEOSA-N 1 0 356.451 2.213 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH+]1CCC(C(=O)NOC)CC1 ZINC000879925345 686947666 /nfs/dbraw/zinc/94/76/66/686947666.db2.gz UPTSBGYCQSRKEC-AWEZNQCLSA-N 1 0 365.499 2.041 20 30 FEEDRO C[C@@H]1C[N@H+](C[C@@H](O)COc2ccccc2C#N)CC[C@H](C(F)(F)F)O1 ZINC000880065903 686992034 /nfs/dbraw/zinc/99/20/34/686992034.db2.gz YJHZZXQYOCTCAH-XNRPHZJLSA-N 1 0 358.360 2.340 20 30 FEEDRO CCC1([NH+]2CCCCC2)CCN(S(=O)(=O)c2cncc(C#N)c2)CC1 ZINC000882618117 687410627 /nfs/dbraw/zinc/41/06/27/687410627.db2.gz ILKDEGXCNXKCLT-UHFFFAOYSA-N 1 0 362.499 2.372 20 30 FEEDRO N#Cc1ncc(Br)cc1N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000882726295 687458305 /nfs/dbraw/zinc/45/83/05/687458305.db2.gz PVNDTCNTHUWXCN-CQSZACIVSA-N 1 0 365.275 2.453 20 30 FEEDRO C=CCC[C@H]([NH2+]C1CCN(S(C)(=O)=O)CC1)[C@H]1Cc2ccccc2O1 ZINC000883169857 687581487 /nfs/dbraw/zinc/58/14/87/687581487.db2.gz FUEQKOBRUQFATQ-PKOBYXMFSA-N 1 0 364.511 2.339 20 30 FEEDRO C=CCOCC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1[C@H]1CCOC1 ZINC000883215997 687589046 /nfs/dbraw/zinc/58/90/46/687589046.db2.gz JQHUKXCELVDPTF-YESZJQIVSA-N 1 0 354.491 2.441 20 30 FEEDRO N#C[C@@H]1C[NH2+]CC12CC(C(=O)NCC[C@@H]1CSc3ccccc3O1)C2 ZINC000884373857 687857828 /nfs/dbraw/zinc/85/78/28/687857828.db2.gz YBSWMLOWFYXDBN-YYHKSVKZSA-N 1 0 357.479 2.185 20 30 FEEDRO C[C@H]([NH2+]C[C@H](O)CC1(C#N)CCC1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000886109881 688204511 /nfs/dbraw/zinc/20/45/11/688204511.db2.gz UHRFZULJCIDMJA-GOEBONIOSA-N 1 0 365.499 2.032 20 30 FEEDRO CC(C)(C)OC(=O)CC1([NH2+]C[C@H](O)CC2(C#N)CCC2)CCOCC1 ZINC000886249422 688219305 /nfs/dbraw/zinc/21/93/05/688219305.db2.gz JVFFFSULIZHWEW-OAHLLOKOSA-N 1 0 352.475 2.302 20 30 FEEDRO C#CCN(C(=O)CCOCC(F)(F)C(F)(F)F)C1CC[NH+](C)CC1 ZINC000886577422 688278584 /nfs/dbraw/zinc/27/85/84/688278584.db2.gz IJOKXBIBTMIHRY-UHFFFAOYSA-N 1 0 356.335 2.147 20 30 FEEDRO C#CCN(C(=O)[C@H](O)c1cccc(C(F)(F)F)c1)C1CC[NH+](C)CC1 ZINC000886576126 688278656 /nfs/dbraw/zinc/27/86/56/688278656.db2.gz XXEJKDVQQCKNER-MRXNPFEDSA-N 1 0 354.372 2.295 20 30 FEEDRO C#CCN(C(=O)c1ccc(OC(F)F)c(OC)c1)C1CC[NH+](C)CC1 ZINC000886589498 688280271 /nfs/dbraw/zinc/28/02/71/688280271.db2.gz XFIWQZQKSVREAI-UHFFFAOYSA-N 1 0 352.381 2.466 20 30 FEEDRO COC[C@@H]([NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1)[C@H]1CCCOC1 ZINC000886910125 688339527 /nfs/dbraw/zinc/33/95/27/688339527.db2.gz LRJAKDUCEUENFQ-XJKSGUPXSA-N 1 0 351.834 2.181 20 30 FEEDRO C[N@@H+]1C[C@@H]2CN(C(=O)Cc3ccc(Br)cc3C#N)C[C@]2(C)C1 ZINC000887924395 688520382 /nfs/dbraw/zinc/52/03/82/688520382.db2.gz JNAJAYJYDBUPOU-PBHICJAKSA-N 1 0 362.271 2.273 20 30 FEEDRO C[NH+]1CCC(OCC(=O)Nc2ccc(Br)c(C#N)c2)CC1 ZINC000887994968 688532899 /nfs/dbraw/zinc/53/28/99/688532899.db2.gz QOZUWBLGNAEDAG-UHFFFAOYSA-N 1 0 352.232 2.370 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)Nc1cncc(Cl)c1)C(C)C ZINC000889799581 688831333 /nfs/dbraw/zinc/83/13/33/688831333.db2.gz CAZOFXGFPMKAEI-INIZCTEOSA-N 1 0 364.877 2.488 20 30 FEEDRO C#CCSCC[NH2+][C@H]1C[C@@H](NC(=O)OC(C)(C)C)C12CCOCC2 ZINC000892994824 689277876 /nfs/dbraw/zinc/27/78/76/689277876.db2.gz ZBPSQCWXXLZBMA-LSDHHAIUSA-N 1 0 354.516 2.405 20 30 FEEDRO C[C@@H]1[C@@H](NC(=O)NCc2nc(C#N)cs2)CC[N@@H+]1Cc1ccccc1 ZINC000894884959 689613975 /nfs/dbraw/zinc/61/39/75/689613975.db2.gz MSMNOAVGUAZKAU-CJNGLKHVSA-N 1 0 355.467 2.477 20 30 FEEDRO C=CCCSCC[NH2+]Cc1c(I)cnn1C ZINC000895243548 689683312 /nfs/dbraw/zinc/68/33/12/689683312.db2.gz OENPYPGJVDHMBG-UHFFFAOYSA-N 1 0 351.257 2.424 20 30 FEEDRO CN(Cc1cc(C#N)cs1)C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000896608982 689905781 /nfs/dbraw/zinc/90/57/81/689905781.db2.gz KRBQUIOIATXQEE-GJZGRUSLSA-N 1 0 350.513 2.341 20 30 FEEDRO CSC1(CNC(=O)Nc2cc(C)n(CCC#N)n2)CC[NH+](C)CC1 ZINC000516120153 689918665 /nfs/dbraw/zinc/91/86/65/689918665.db2.gz BGMRDRWZQNBLKP-UHFFFAOYSA-N 1 0 350.492 2.054 20 30 FEEDRO C#CCOc1cccc(Cl)c1C[NH2+][C@@H]1CCN(c2cc(=O)[nH]cn2)C1 ZINC000898158610 690136003 /nfs/dbraw/zinc/13/60/03/690136003.db2.gz ZYJMQKKIJYSDAX-CYBMUJFWSA-N 1 0 358.829 2.216 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)NCC(=O)Nc1cc(Br)ccc1C ZINC000900466439 690520353 /nfs/dbraw/zinc/52/03/53/690520353.db2.gz DGCIGRCZVVARPB-UHFFFAOYSA-N 1 0 368.275 2.320 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)Nc1cccc(CS(=O)(=O)N[C@@H](C)CC)c1 ZINC000901240128 690629065 /nfs/dbraw/zinc/62/90/65/690629065.db2.gz BQNCQHFQUMGWRG-HNNXBMFYSA-N 1 0 367.515 2.351 20 30 FEEDRO C#CCN(C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C)C1CSC1 ZINC000903049606 690838739 /nfs/dbraw/zinc/83/87/39/690838739.db2.gz YNWNLOLLGIMRCL-UHFFFAOYSA-N 1 0 358.511 2.329 20 30 FEEDRO C[NH2+]C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000903575242 690927088 /nfs/dbraw/zinc/92/70/88/690927088.db2.gz KGYJRRZZNJLTHZ-LBPRGKRZSA-N 1 0 361.389 2.340 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@@H]([NH3+])C2)cc1Cl ZINC000903577999 690927566 /nfs/dbraw/zinc/92/75/66/690927566.db2.gz AMQDPRRDSOTOHD-JQWIXIFHSA-N 1 0 367.780 2.112 20 30 FEEDRO N#Cc1ccc(CS(=O)(=O)N2C[C@H](C[NH3+])Cc3cc(F)ccc32)cc1 ZINC000903587873 690932700 /nfs/dbraw/zinc/93/27/00/690932700.db2.gz DIBJSNTZMBZRKQ-HNNXBMFYSA-N 1 0 359.426 2.165 20 30 FEEDRO Cc1cccc(S(=O)(=O)N2C[C@H](C[NH3+])Cc3cc(F)ccc32)c1C#N ZINC000903589477 690933522 /nfs/dbraw/zinc/93/35/22/690933522.db2.gz VTDWOIZQKCBTJK-ZDUSSCGKSA-N 1 0 359.426 2.332 20 30 FEEDRO C[NH+]1CCC(OCC(=O)Nc2ccc(C#N)c(Br)c2)CC1 ZINC000905465430 691122032 /nfs/dbraw/zinc/12/20/32/691122032.db2.gz PWYKASANXRGMNZ-UHFFFAOYSA-N 1 0 352.232 2.370 20 30 FEEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+]C[C@H]2CC[C@H](C(F)(F)F)O2)c1 ZINC000905516028 691130019 /nfs/dbraw/zinc/13/00/19/691130019.db2.gz IVLQGGMDGZTAME-TZMCWYRMSA-N 1 0 362.373 2.031 20 30 FEEDRO COCCN(CC[C@H]1CCCC[N@@H+]1C)S(=O)(=O)c1ccc(C#N)cc1 ZINC000906502378 691277770 /nfs/dbraw/zinc/27/77/70/691277770.db2.gz QWRBHDOSMYHXJR-QGZVFWFLSA-N 1 0 365.499 2.070 20 30 FEEDRO CN1CC[N@H+](C)CC(C(=O)N[C@H](C#N)c2ccc(Cl)c(Cl)c2)C1 ZINC000906630401 691294728 /nfs/dbraw/zinc/29/47/28/691294728.db2.gz QFLXGAIANGZVLZ-OAHLLOKOSA-N 1 0 355.269 2.168 20 30 FEEDRO C#Cc1ccc(S(=O)(=O)NCc2cccc(OCC[NH+](C)C)c2)cc1 ZINC000906844741 691327112 /nfs/dbraw/zinc/32/71/12/691327112.db2.gz GWWBTRNLAIIGSC-UHFFFAOYSA-N 1 0 358.463 2.087 20 30 FEEDRO CC[NH+](CC)Cc1cccc(CNS(=O)(=O)c2ccc(C#N)cn2)c1 ZINC000906851310 691328207 /nfs/dbraw/zinc/32/82/07/691328207.db2.gz HQQNZCOHEUTFTN-UHFFFAOYSA-N 1 0 358.467 2.274 20 30 FEEDRO Cc1cccc(CN(CC[NH+](C)C)S(=O)(=O)c2ccc(C#N)cn2)c1 ZINC000906913787 691342530 /nfs/dbraw/zinc/34/25/30/691342530.db2.gz WPJULYVCCJHKMP-UHFFFAOYSA-N 1 0 358.467 2.014 20 30 FEEDRO CC[NH+](CC)CCCC1CCN(S(=O)(=O)c2ccc(C#N)cn2)CC1 ZINC000907108220 691397034 /nfs/dbraw/zinc/39/70/34/691397034.db2.gz XEPBEFIJOXDXJD-UHFFFAOYSA-N 1 0 364.515 2.476 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)N[C@H](c1ccc(C)cc1)[C@H](C)S(C)(=O)=O ZINC000907955833 691589699 /nfs/dbraw/zinc/58/96/99/691589699.db2.gz ZWGBZZAKEZEHCT-RDJZCZTQSA-N 1 0 352.500 2.093 20 30 FEEDRO C=CCNc1ncc(C(=O)N2CCC([N@@H+]3CCCOCC3)CC2)s1 ZINC000910366200 691922125 /nfs/dbraw/zinc/92/21/25/691922125.db2.gz DBXYAFHAQRLFRK-UHFFFAOYSA-N 1 0 350.488 2.068 20 30 FEEDRO CCOC(=O)c1cc(C#N)c(Cl)nc1C(F)(F)N1CC[C@H]2[NH2+]CC[C@@H]21 ZINC001164412220 718875004 /nfs/dbraw/zinc/87/50/04/718875004.db2.gz UMXJYNHBSUNWGV-NEPJUHHUSA-N 1 0 370.787 2.269 20 30 FEEDRO CCOC(=O)c1cc(C#N)c(Cl)nc1C(F)(F)N1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001164422585 718895842 /nfs/dbraw/zinc/89/58/42/718895842.db2.gz WSADZESWDKKACH-ZUZCIYMTSA-N 1 0 370.787 2.256 20 30 FEEDRO C[N@@H+]1CCO[C@H]2CN(c3ccc(COc4ccc(CC#N)cc4)cn3)C[C@@H]21 ZINC001164673086 719449428 /nfs/dbraw/zinc/44/94/28/719449428.db2.gz SJZWFFUAVVMNCP-PMACEKPBSA-N 1 0 364.449 2.246 20 30 FEEDRO N#CCc1cncc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)n1 ZINC001164698370 719897189 /nfs/dbraw/zinc/89/71/89/719897189.db2.gz SBNSJAFHRIXICQ-UHFFFAOYSA-N 1 0 369.494 2.476 20 30 FEEDRO Cc1cc(C#N)cc(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164829784 720347894 /nfs/dbraw/zinc/34/78/94/720347894.db2.gz UKBQFKJHSMJCSW-MOPGFXCFSA-N 1 0 367.497 2.173 20 30 FEEDRO N#Cc1ccc2ncnc(N3CCc4ncc(C[NH+]5CCCC5)n4CC3)c2c1 ZINC001164733290 720554657 /nfs/dbraw/zinc/55/46/57/720554657.db2.gz KFCZWGYYRAGQES-UHFFFAOYSA-N 1 0 373.464 2.356 20 30 FEEDRO N#Cc1cc2c(nc1N1CCc3ncc(C[NH+]4CCCC4)n3CC1)CCC2 ZINC001164737043 720581498 /nfs/dbraw/zinc/58/14/98/720581498.db2.gz ZZASBGNNMLOCTQ-UHFFFAOYSA-N 1 0 362.481 2.297 20 30 FEEDRO N#Cc1cc(Cl)nc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)c1 ZINC001164867944 721039243 /nfs/dbraw/zinc/03/92/43/721039243.db2.gz LDJSIMYTKWMVNQ-IRXDYDNUSA-N 1 0 369.856 2.481 20 30 FEEDRO N#Cc1cc2nc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)ccc2[nH]1 ZINC001164880681 721134476 /nfs/dbraw/zinc/13/44/76/721134476.db2.gz WZGMFVVAESZNMB-ZWKOTPCHSA-N 1 0 374.448 2.309 20 30 FEEDRO Cc1ccc(C#N)c(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164891892 721393728 /nfs/dbraw/zinc/39/37/28/721393728.db2.gz RJMOVONTNSXJLC-CTNGQTDRSA-N 1 0 369.513 2.027 20 30 FEEDRO N#Cc1cc(Cl)nnc1N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164900137 721522185 /nfs/dbraw/zinc/52/21/85/721522185.db2.gz OKJFWLDZFXKQOB-HOCLYGCPSA-N 1 0 373.819 2.483 20 30 FEEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cnc(C#N)c(C#N)n3)C[C@H]21 ZINC001165026290 721826041 /nfs/dbraw/zinc/82/60/41/721826041.db2.gz OOLSGXQPPORLDI-XAUMDUMWSA-N 1 0 373.464 2.352 20 30 FEEDRO N#Cc1cnc2cnc(Cl)cc2c1N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001165038355 721902962 /nfs/dbraw/zinc/90/29/62/721902962.db2.gz QFUZRUJXJXRHRZ-CQSZACIVSA-N 1 0 357.845 2.456 20 30 FEEDRO N#Cc1cc(N2CC[NH+](C[C@H]3CCCO3)CC2)nc2ccc([N+](=O)[O-])cc12 ZINC000610514221 721924457 /nfs/dbraw/zinc/92/44/57/721924457.db2.gz XYEFFAVTCKOCNP-MRXNPFEDSA-N 1 0 367.409 2.316 20 30 FEEDRO Cc1ccnc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c1C#N ZINC001164980688 722103352 /nfs/dbraw/zinc/10/33/52/722103352.db2.gz JYCGMPJYFUEBHE-QUCCMNQESA-N 1 0 363.465 2.384 20 30 FEEDRO C[NH+](C)CCOCc1ncn2c1CN(c1cc(Cl)ncc1C#N)CCC2 ZINC001165000301 722251082 /nfs/dbraw/zinc/25/10/82/722251082.db2.gz NURLZPOWKMDRJF-UHFFFAOYSA-N 1 0 374.876 2.292 20 30 FEEDRO C#CC[N@@H+](C)CCCNC(=O)[C@H](C)Oc1ccccc1Br ZINC000818602760 675227694 /nfs/dbraw/zinc/22/76/94/675227694.db2.gz COHXEGUBBGVQFW-ZDUSSCGKSA-N 1 0 353.260 2.288 20 30 FEEDRO Cn1cc(C[NH2+]C[C@@H]2CN3CCCC[C@H]3CO2)c(-c2ccc(C#N)cc2)n1 ZINC000359998503 210205234 /nfs/dbraw/zinc/20/52/34/210205234.db2.gz XDQWURAMHSJKFN-VQTJNVASSA-N 1 0 365.481 2.302 20 30 FEEDRO C#CCOc1cccc(Cl)c1C[NH2+][C@H]1CCC[C@H]1CNS(C)(=O)=O ZINC000800310327 674040937 /nfs/dbraw/zinc/04/09/37/674040937.db2.gz WWTJIITUGMNTBW-BBRMVZONSA-N 1 0 370.902 2.160 20 30 FEEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCC(=O)NC(C)(C)C ZINC000008251208 539481370 /nfs/dbraw/zinc/48/13/70/539481370.db2.gz RGIOIWNIIFSFDS-UHFFFAOYSA-N 1 0 365.547 2.499 20 30 FEEDRO C[N@@H+](Cc1ccc2c(c1)OCO2)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000025867986 539771228 /nfs/dbraw/zinc/77/12/28/539771228.db2.gz QSZKERPFYPFGCB-QGZVFWFLSA-N 1 0 354.406 2.353 20 30 FEEDRO Cn1ncc(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c(Cl)c1=O ZINC000026082987 539776665 /nfs/dbraw/zinc/77/66/65/539776665.db2.gz KYCYMNDXGDVVRI-UHFFFAOYSA-N 1 0 357.845 2.018 20 30 FEEDRO Cc1cc(NC(=O)CC[NH+]2CCN(Cc3ccc(C#N)cc3)CC2)no1 ZINC000028634477 539834252 /nfs/dbraw/zinc/83/42/52/539834252.db2.gz FICLZTAMXSRYON-UHFFFAOYSA-N 1 0 353.426 2.001 20 30 FEEDRO N#Cc1ccc(NC(=O)C(=O)NCc2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000041525833 540024682 /nfs/dbraw/zinc/02/46/82/540024682.db2.gz LVQYIQPPNVDUGP-UHFFFAOYSA-N 1 0 362.433 2.409 20 30 FEEDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)C(=O)Nc2ccc(C#N)cc2)C1 ZINC000041791322 540032833 /nfs/dbraw/zinc/03/28/33/540032833.db2.gz ZPVBHOQJOGIEDR-IYBDPMFKSA-N 1 0 356.470 2.371 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCc1ccccn1 ZINC000042963840 540084035 /nfs/dbraw/zinc/08/40/35/540084035.db2.gz RZIXWKNTVCLLMR-UHFFFAOYSA-N 1 0 351.454 2.269 20 30 FEEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000047214013 540296978 /nfs/dbraw/zinc/29/69/78/540296978.db2.gz JTQSWYUBACNTSJ-HNNXBMFYSA-N 1 0 372.513 2.424 20 30 FEEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000047416592 540308815 /nfs/dbraw/zinc/30/88/15/540308815.db2.gz JJMFEJHGCVSUSF-HUUCEWRRSA-N 1 0 372.513 2.280 20 30 FEEDRO CC[N@@H+]1CCC[C@H](NC(=O)N2CCCN(c3ccccc3C#N)CC2)C1 ZINC000052594179 540476183 /nfs/dbraw/zinc/47/61/83/540476183.db2.gz SIJFJMDEPBAFIE-SFHVURJKSA-N 1 0 355.486 2.264 20 30 FEEDRO CN(Cc1ccco1)C(=O)CN1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000054868011 540614686 /nfs/dbraw/zinc/61/46/86/540614686.db2.gz ZRLNFVXWFHJXJR-UHFFFAOYSA-N 1 0 366.465 2.318 20 30 FEEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000059890728 540866651 /nfs/dbraw/zinc/86/66/51/540866651.db2.gz HHLLHRGBOAPSHP-SPLOXXLWSA-N 1 0 372.513 2.423 20 30 FEEDRO C=CC[N@@H+](CCOc1ccc(S(N)(=O)=O)cc1)Cc1cccc(C#N)c1 ZINC000063300401 541163249 /nfs/dbraw/zinc/16/32/49/541163249.db2.gz LCCIIAWZCULPDI-UHFFFAOYSA-N 1 0 371.462 2.273 20 30 FEEDRO COc1cc(C[NH2+]Cc2cccc(C#N)c2)ccc1OCC(=O)N(C)C ZINC000065981199 541275891 /nfs/dbraw/zinc/27/58/91/541275891.db2.gz JELLNDDHIGICDE-UHFFFAOYSA-N 1 0 353.422 2.324 20 30 FEEDRO CC(C)(C)[N@@H+]1CCCN(C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)CC1 ZINC000066241172 541294244 /nfs/dbraw/zinc/29/42/44/541294244.db2.gz VZYQIZALFIABST-UHFFFAOYSA-N 1 0 366.469 2.273 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)NCC2(c3ccc(OC)cc3)CCOCC2)CC1 ZINC000066922295 541394708 /nfs/dbraw/zinc/39/47/08/541394708.db2.gz USURMJBLSNVIEN-UHFFFAOYSA-N 1 0 370.493 2.205 20 30 FEEDRO C[C@@H](Oc1ccccc1C#N)C(=O)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000068095555 541548016 /nfs/dbraw/zinc/54/80/16/541548016.db2.gz BLFJYDWXNVSKEU-HZPDHXFCSA-N 1 0 357.454 2.037 20 30 FEEDRO COc1cc(C#N)ccc1OCC(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000068133693 541553318 /nfs/dbraw/zinc/55/33/18/541553318.db2.gz MLGUNSXHAJHSGU-KRWDZBQOSA-N 1 0 357.454 2.423 20 30 FEEDRO COCC[N@H+](CCN1C(=O)c2ccccc2C1=O)Cc1ccc(C#N)cc1 ZINC000069072272 541653838 /nfs/dbraw/zinc/65/38/38/541653838.db2.gz WQHOLBCRMVWGIW-UHFFFAOYSA-N 1 0 363.417 2.303 20 30 FEEDRO C[NH+](C)[C@@H]1CCCN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)C1 ZINC000069473489 541688694 /nfs/dbraw/zinc/68/86/94/541688694.db2.gz WMFYKDANSNCCQG-DLBZAZTESA-N 1 0 373.476 2.402 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)OCc2nc(Cc3ccc(F)cc3)no2)CC1 ZINC000072512984 541824737 /nfs/dbraw/zinc/82/47/37/541824737.db2.gz MPIZMGQLSLFMQZ-UHFFFAOYSA-N 1 0 357.385 2.188 20 30 FEEDRO N#CCSCCC[N@H+]1CCC[C@@H](NS(=O)(=O)c2ccccc2)C1 ZINC000072517787 541824854 /nfs/dbraw/zinc/82/48/54/541824854.db2.gz SLVOOJGCPSBCTJ-OAHLLOKOSA-N 1 0 353.513 2.076 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1cnn(-c2ncccn2)c1)C(C)C ZINC000072561456 541832622 /nfs/dbraw/zinc/83/26/22/541832622.db2.gz GMWCJSCTPRXPID-QGZVFWFLSA-N 1 0 369.473 2.482 20 30 FEEDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(CC(=O)N(CCC#N)CCC#N)C1 ZINC000072965791 541899201 /nfs/dbraw/zinc/89/92/01/541899201.db2.gz JINXPQICPKMGQB-RTBURBONSA-N 1 0 359.518 2.229 20 30 FEEDRO Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000545197750 541899872 /nfs/dbraw/zinc/89/98/72/541899872.db2.gz OAHZBIHRWOXDLY-INIZCTEOSA-N 1 0 365.441 2.149 20 30 FEEDRO Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N1CCC([NH2+]C(C)C)CC1 ZINC000545198377 541900832 /nfs/dbraw/zinc/90/08/32/541900832.db2.gz KJGSJKYNPWUMFL-UHFFFAOYSA-N 1 0 367.457 2.442 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@@H]2C(=O)N(CC)CC)CC1 ZINC000074129999 542040784 /nfs/dbraw/zinc/04/07/84/542040784.db2.gz WJQQVKCJQSJIAQ-QGZVFWFLSA-N 1 0 350.507 2.069 20 30 FEEDRO CC[NH+](CC)CCOC1CCN([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC1 ZINC000075007501 542144973 /nfs/dbraw/zinc/14/49/73/542144973.db2.gz RKHSJNBHOVLMLI-YLJYHZDGSA-N 1 0 366.550 2.252 20 30 FEEDRO C[C@H](c1ccccc1)N1C[C@@H](C(=O)N(CCC#N)CCC[NH+](C)C)CC1=O ZINC000076023400 542225683 /nfs/dbraw/zinc/22/56/83/542225683.db2.gz IDSPTTBJTJHFPN-MJGOQNOKSA-N 1 0 370.497 2.290 20 30 FEEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000076333943 542262184 /nfs/dbraw/zinc/26/21/84/542262184.db2.gz GLRDJLKBMPJCDL-KBPBESRZSA-N 1 0 372.494 2.372 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cccc(COC(C)C)c2)CC1 ZINC000076526240 542288821 /nfs/dbraw/zinc/28/88/21/542288821.db2.gz SJYMCHKKWYCDGH-UHFFFAOYSA-N 1 0 359.470 2.317 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cccc(OCC(=C)C)c2)CC1 ZINC000076526224 542288830 /nfs/dbraw/zinc/28/88/30/542288830.db2.gz VDATZZSCRCXXPZ-UHFFFAOYSA-N 1 0 357.454 2.347 20 30 FEEDRO COc1cc(C#N)ccc1OCC[N@H+](CCC(N)=O)Cc1ccccc1 ZINC000077247853 542359059 /nfs/dbraw/zinc/35/90/59/542359059.db2.gz WWQRKEFRTHJOOG-UHFFFAOYSA-N 1 0 353.422 2.323 20 30 FEEDRO N#Cc1nnc2ccccc2c1NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000077488195 542388287 /nfs/dbraw/zinc/38/82/87/542388287.db2.gz LCMPSWXIICFFHI-QGZVFWFLSA-N 1 0 359.433 2.333 20 30 FEEDRO N#Cc1ccc(NC(=O)C(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)cc1 ZINC000077851699 542427181 /nfs/dbraw/zinc/42/71/81/542427181.db2.gz AHCFWNQLFFMGTA-LJQANCHMSA-N 1 0 362.433 2.450 20 30 FEEDRO C=CCOc1cccc(NC(=O)C(=O)NCC2CC[NH+](CCC)CC2)c1 ZINC000077819914 542423767 /nfs/dbraw/zinc/42/37/67/542423767.db2.gz RXWAESMEESFLLU-UHFFFAOYSA-N 1 0 359.470 2.428 20 30 FEEDRO C=C(C)CN(CC)C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000080235320 542577469 /nfs/dbraw/zinc/57/74/69/542577469.db2.gz LHTCAFAYNUXHOT-UHFFFAOYSA-N 1 0 352.523 2.221 20 30 FEEDRO N#Cc1ccc(CN2CCN(C(=O)[C@@H]3C[C@@H]4CCCC[N@@H+]4C3)CC2)cc1 ZINC000081112036 542633367 /nfs/dbraw/zinc/63/33/67/542633367.db2.gz LHADWXJYUXRXHN-UXHICEINSA-N 1 0 352.482 2.077 20 30 FEEDRO COc1ccc(C[N@@H+]2CCCN(C(=O)c3cc(C#N)cn3C)CC2)cc1 ZINC000081603115 542667464 /nfs/dbraw/zinc/66/74/64/542667464.db2.gz UNDZLQVHYBHOJW-UHFFFAOYSA-N 1 0 352.438 2.253 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N2CCC(Nc3ccccc3OC)CC2)CC1 ZINC000085499294 542729129 /nfs/dbraw/zinc/72/91/29/542729129.db2.gz IOHSOHDSXUFGHR-UHFFFAOYSA-N 1 0 355.482 2.443 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cc(C#N)ccc2Cl)CC1 ZINC000088775359 542756394 /nfs/dbraw/zinc/75/63/94/542756394.db2.gz FCTZHNQOTXHECS-UHFFFAOYSA-N 1 0 360.845 2.307 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2cn(C)nc2-c2ccccc2)c1C#N ZINC000089435229 542763799 /nfs/dbraw/zinc/76/37/99/542763799.db2.gz ZJSFKVCNVKHFHQ-UHFFFAOYSA-N 1 0 363.425 2.086 20 30 FEEDRO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)Cc2cccc(OCC#N)c2)C[C@H](C)O1 ZINC000089781387 542770398 /nfs/dbraw/zinc/77/03/98/542770398.db2.gz RUMXEYHMGMVAJX-SCTDSRPQSA-N 1 0 371.481 2.232 20 30 FEEDRO N#Cc1ccc(CCC(=O)NC[C@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)cc1 ZINC000089959872 542776553 /nfs/dbraw/zinc/77/65/53/542776553.db2.gz KQDDSZXZXADTQS-RTWAWAEBSA-N 1 0 363.461 2.242 20 30 FEEDRO C=CCNC(=O)c1ccc(N2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)nc1 ZINC000091478649 542809792 /nfs/dbraw/zinc/80/97/92/542809792.db2.gz DTAFOZZCAOYBAJ-IRXDYDNUSA-N 1 0 372.513 2.323 20 30 FEEDRO COc1ccccc1C(C)(C)[NH2+]CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1 ZINC000091618498 542816181 /nfs/dbraw/zinc/81/61/81/542816181.db2.gz OVPNBBZGFVCHOB-SFHVURJKSA-N 1 0 372.513 2.212 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N[C@@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000091771162 542825226 /nfs/dbraw/zinc/82/52/26/542825226.db2.gz NVNNTUVKNKMKTK-IEBWSBKVSA-N 1 0 373.884 2.073 20 30 FEEDRO C[N@H+](Cc1cccc(OCCCC#N)c1)C1CCN(S(C)(=O)=O)CC1 ZINC000091963813 542834177 /nfs/dbraw/zinc/83/41/77/542834177.db2.gz JBPQLCWQBMLMAO-UHFFFAOYSA-N 1 0 365.499 2.225 20 30 FEEDRO C[C@@H](CNC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1)[N@H+](C)C1CC1 ZINC000092235947 542850308 /nfs/dbraw/zinc/85/03/08/542850308.db2.gz DYZQENBUFRKYDP-NXVRBGIVSA-N 1 0 371.485 2.425 20 30 FEEDRO Cc1cccnc1[C@@H]([NH2+]CC(=O)N1CCN([C@H](C#N)C(C)C)CC1)C(C)C ZINC000092643056 542876718 /nfs/dbraw/zinc/87/67/18/542876718.db2.gz GLEUGNYDQKPFCH-QUCCMNQESA-N 1 0 371.529 2.369 20 30 FEEDRO COc1cc(N[C@H]2CCC[N@H+](CCC(=O)N(C)CCC#N)C2)cc(OC)c1 ZINC000092805998 542887849 /nfs/dbraw/zinc/88/78/49/542887849.db2.gz KKHSDXXBXAENAA-INIZCTEOSA-N 1 0 374.485 2.342 20 30 FEEDRO CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CCCN(c2ncccc2C#N)CC1 ZINC000098027190 543018019 /nfs/dbraw/zinc/01/80/19/543018019.db2.gz NEZHWAOKEKANJD-GOSISDBHSA-N 1 0 372.517 2.151 20 30 FEEDRO C=CCCO[C@H](C)C(=O)Nc1ccc(CC[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000101523315 543028399 /nfs/dbraw/zinc/02/83/99/543028399.db2.gz HHQJSMUDWQXAHF-MRXNPFEDSA-N 1 0 373.497 2.346 20 30 FEEDRO Cc1ccc(CN(C)CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)s1 ZINC000102773337 543080313 /nfs/dbraw/zinc/08/03/13/543080313.db2.gz YIYZOXMVCQTXCF-UHFFFAOYSA-N 1 0 373.482 2.005 20 30 FEEDRO C=CCN(CC=C)C(=O)[C@@H](C)N1CCN(Cc2ccccc2OC)CC1 ZINC000102775016 543080433 /nfs/dbraw/zinc/08/04/33/543080433.db2.gz IMCDFZMIAPBIDD-GOSISDBHSA-N 1 0 357.498 2.402 20 30 FEEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000103143003 543094144 /nfs/dbraw/zinc/09/41/44/543094144.db2.gz CZFZQVNPQNNCOE-KRWDZBQOSA-N 1 0 372.513 2.231 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)CCc2nc(-c3ccncc3)no2)CC1 ZINC000106037348 543186147 /nfs/dbraw/zinc/18/61/47/543186147.db2.gz YGHGYYQOXRJPGO-UHFFFAOYSA-N 1 0 355.442 2.221 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2O)CC1 ZINC000106290992 543221728 /nfs/dbraw/zinc/22/17/28/543221728.db2.gz ANCBBHKROVWRMV-SFHVURJKSA-N 1 0 371.481 2.154 20 30 FEEDRO CC1CC[NH+](Cc2cccc(CNC(=O)N3CCO[C@@H](C#N)C3)c2)CC1 ZINC000106338650 543224088 /nfs/dbraw/zinc/22/40/88/543224088.db2.gz HQZVIYXVBJPZND-IBGZPJMESA-N 1 0 356.470 2.352 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cccc([C@@H](C)OC)c2)CC1 ZINC000106349071 543224859 /nfs/dbraw/zinc/22/48/59/543224859.db2.gz BLVORRNUZZJVBD-OAHLLOKOSA-N 1 0 359.470 2.489 20 30 FEEDRO COCC[N@H+](C)CCNC(=O)NC1CCC(Oc2ccccc2C#N)CC1 ZINC000111852338 543420602 /nfs/dbraw/zinc/42/06/02/543420602.db2.gz PZUCSHHGZWTBFU-UHFFFAOYSA-N 1 0 374.485 2.126 20 30 FEEDRO C[NH+]1CCN(c2cc(C(=O)N[C@@H](C#N)c3ccc(Cl)cc3)ccn2)CC1 ZINC000113174715 543476319 /nfs/dbraw/zinc/47/63/19/543476319.db2.gz RCEGQSPODLXSBD-KRWDZBQOSA-N 1 0 369.856 2.481 20 30 FEEDRO C#CCNC(=O)[C@H](C)[NH+]1CCC(C(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC000113939878 543499437 /nfs/dbraw/zinc/49/94/37/543499437.db2.gz CUQLBXGBLBEJND-LBPRGKRZSA-N 1 0 365.836 2.268 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+](C)C[C@@H]1CCN(C(C)=O)C1 ZINC000156419915 545626299 /nfs/dbraw/zinc/62/62/99/545626299.db2.gz YCAVZBUUPXQEET-WBVHZDCISA-N 1 0 363.527 2.451 20 30 FEEDRO Cc1nc(-c2cnn(C)c2)sc1C(=O)N(CCC#N)CCC[NH+](C)C ZINC000115345784 543561386 /nfs/dbraw/zinc/56/13/86/543561386.db2.gz FGDPGFYFXSQRTP-UHFFFAOYSA-N 1 0 360.487 2.160 20 30 FEEDRO N#Cc1ccc([C@H](Nc2ccc(CC[NH+]3CCOCC3)cc2)C(N)=O)cc1 ZINC000115597904 543577467 /nfs/dbraw/zinc/57/74/67/543577467.db2.gz SIPUEVYYGLGAGP-FQEVSTJZSA-N 1 0 364.449 2.071 20 30 FEEDRO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1ccccc1SCCC#N ZINC000118117264 543646407 /nfs/dbraw/zinc/64/64/07/543646407.db2.gz PIRIEHBISWNPDH-AWEZNQCLSA-N 1 0 362.499 2.477 20 30 FEEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N(C)CCC[NH+](C)C ZINC000121015418 543688212 /nfs/dbraw/zinc/68/82/12/543688212.db2.gz FJWANRFCFDREHP-CQSZACIVSA-N 1 0 362.499 2.287 20 30 FEEDRO C=CCN(C)C(=O)C(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1 ZINC000121557202 543696427 /nfs/dbraw/zinc/69/64/27/543696427.db2.gz CZRDKJLURRASPY-UHFFFAOYSA-N 1 0 358.486 2.048 20 30 FEEDRO C[C@H](c1ccc(C#N)cc1)[NH+]1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 ZINC000118532630 543652874 /nfs/dbraw/zinc/65/28/74/543652874.db2.gz GKSXQEDXTQODMW-OAHLLOKOSA-N 1 0 368.481 2.055 20 30 FEEDRO N#CCCN(CCC#N)C(=O)CN1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000118834234 543660372 /nfs/dbraw/zinc/66/03/72/543660372.db2.gz XBOFZWVAFOTDFX-IBGZPJMESA-N 1 0 359.518 2.230 20 30 FEEDRO C#CCSCC[NH2+]C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000119101371 543663482 /nfs/dbraw/zinc/66/34/82/543663482.db2.gz FGWOTPNPVFEIMX-UHFFFAOYSA-N 1 0 352.525 2.104 20 30 FEEDRO C[NH+]=C(NCc1c(C)nn(C)c1C)N(C)Cc1cnn(-c2ccccc2)c1 ZINC000120250371 543677566 /nfs/dbraw/zinc/67/75/66/543677566.db2.gz IZNAWLZICDDQID-UHFFFAOYSA-N 1 0 365.485 2.430 20 30 FEEDRO C[C@@H]1C[C@H](N(C)C(=O)C(=O)Nc2cccc(OCCCC#N)c2)CC[N@@H+]1C ZINC000120551195 543681863 /nfs/dbraw/zinc/68/18/63/543681863.db2.gz KKSPADLPURQOSF-NVXWUHKLSA-N 1 0 372.469 2.249 20 30 FEEDRO N#CCNC(=O)C[NH2+][C@@H](Cn1cnc2ccccc21)c1ccc(F)cc1 ZINC000124109438 543801563 /nfs/dbraw/zinc/80/15/63/543801563.db2.gz CZYHCNKBRXGZAZ-KRWDZBQOSA-N 1 0 351.385 2.146 20 30 FEEDRO C=CCC[C@H](O)C[N@@H+]1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000124866901 543847706 /nfs/dbraw/zinc/84/77/06/543847706.db2.gz KOFNPDXQITWDRX-UXHICEINSA-N 1 0 358.530 2.243 20 30 FEEDRO N#Cc1ccc(NC(=O)C[N@@H+]2CCCC[C@@H]2[C@H]2CNC(=O)C2)cc1Cl ZINC000125449601 543882430 /nfs/dbraw/zinc/88/24/30/543882430.db2.gz VKUJQYWRGALCIB-CZUORRHYSA-N 1 0 360.845 2.141 20 30 FEEDRO CCOC(=O)C1CCN(C(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000127537431 543998963 /nfs/dbraw/zinc/99/89/63/543998963.db2.gz HSMYAYXWYAICLK-LSDHHAIUSA-N 1 0 357.454 2.399 20 30 FEEDRO C=CCOc1ccc(C(=O)Nc2n[nH]c(CCC[NH2+]C)c2C#N)cc1OC ZINC000128166168 544036129 /nfs/dbraw/zinc/03/61/29/544036129.db2.gz DLTLDXZLQOYBHV-UHFFFAOYSA-N 1 0 369.425 2.259 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)Cc2ccc3c(c2)CCCC3)c1C#N ZINC000128211391 544038761 /nfs/dbraw/zinc/03/87/61/544038761.db2.gz DRNHHWOSERWETA-UHFFFAOYSA-N 1 0 351.454 2.493 20 30 FEEDRO CCN(CCC#N)C(=O)C[NH+]1CCC(C(=O)N2CCc3ccccc32)CC1 ZINC000129286532 544102738 /nfs/dbraw/zinc/10/27/38/544102738.db2.gz KDTBESMYKRAMRQ-UHFFFAOYSA-N 1 0 368.481 2.050 20 30 FEEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N(C)CCCn1ccnc1 ZINC000129863775 544130183 /nfs/dbraw/zinc/13/01/83/544130183.db2.gz BEMQSPZJEVVOGL-UHFFFAOYSA-N 1 0 369.425 2.029 20 30 FEEDRO CCC(=O)N[C@@H]1CCC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000130494487 544153592 /nfs/dbraw/zinc/15/35/92/544153592.db2.gz WWTDLDFOXVDZKN-CYBMUJFWSA-N 1 0 374.510 2.428 20 30 FEEDRO N#Cc1ccc(C(=O)NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)cc1Cl ZINC000132035828 544216408 /nfs/dbraw/zinc/21/64/08/544216408.db2.gz QAGHPEDNGONRPB-GOSISDBHSA-N 1 0 369.852 2.361 20 30 FEEDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)Nc1cccc(OCCCC#N)c1 ZINC000133995266 544290842 /nfs/dbraw/zinc/29/08/42/544290842.db2.gz KDCWMYPTKYTXQS-INIZCTEOSA-N 1 0 372.469 2.108 20 30 FEEDRO N#Cc1ccc([C@H]([NH2+][C@@H]2CCCN(c3ccccc3F)C2)C(N)=O)cc1 ZINC000135321693 544341965 /nfs/dbraw/zinc/34/19/65/544341965.db2.gz IAIXLKIJUNNIBR-APWZRJJASA-N 1 0 352.413 2.482 20 30 FEEDRO C=CCNc1ncc(C(=O)N2CCC([N@H+]3CCO[C@H](C)C3)CC2)s1 ZINC000136218548 544369114 /nfs/dbraw/zinc/36/91/14/544369114.db2.gz HKPNMDWRQKIPOI-CYBMUJFWSA-N 1 0 350.488 2.066 20 30 FEEDRO N#Cc1ccc(OC[C@@H](O)CN2CC[NH+](CCc3cccs3)CC2)cc1 ZINC000141417332 544413215 /nfs/dbraw/zinc/41/32/15/544413215.db2.gz BUTYKLPWTVDQKO-SFHVURJKSA-N 1 0 371.506 2.220 20 30 FEEDRO CCN(C[C@H](C)C#N)C(=O)CN(C)Cc1cc(Br)cn1C ZINC000151490971 544548198 /nfs/dbraw/zinc/54/81/98/544548198.db2.gz XHZUKQQTANTBTH-GFCCVEGCSA-N 1 0 355.280 2.228 20 30 FEEDRO C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)C1CCOCC1 ZINC000151239007 544519946 /nfs/dbraw/zinc/51/99/46/544519946.db2.gz CAYHOMSKKVBHOO-MRXNPFEDSA-N 1 0 358.486 2.447 20 30 FEEDRO C[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)CCCC(=O)Nc1ccccc1C#N)C2 ZINC000151298333 544525513 /nfs/dbraw/zinc/52/55/13/544525513.db2.gz INEOZUFCTOQNHA-DLBZAZTESA-N 1 0 354.454 2.362 20 30 FEEDRO C=C(C)COCCNC(=O)N(C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000151525094 544552724 /nfs/dbraw/zinc/55/27/24/544552724.db2.gz MDDHWRXBMUVFFO-UHFFFAOYSA-N 1 0 360.502 2.323 20 30 FEEDRO N#Cc1cccc(NC(=O)CN2CCC[C@H](c3nncn3C3CC3)C2)c1 ZINC000152417638 544650442 /nfs/dbraw/zinc/65/04/42/544650442.db2.gz ODXFQEWLRRBULI-HNNXBMFYSA-N 1 0 350.426 2.303 20 30 FEEDRO C[C@H]1CCCC[N@@H+]1CCC1CCN(S(=O)(=O)N(C)CCC#N)CC1 ZINC000152758776 544692181 /nfs/dbraw/zinc/69/21/81/544692181.db2.gz NXRYYZCYOFKXFC-INIZCTEOSA-N 1 0 356.536 2.053 20 30 FEEDRO COc1ccc(C)cc1NC(=O)[C@@H](C)[N@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000153324199 544761206 /nfs/dbraw/zinc/76/12/06/544761206.db2.gz USJJVCYBLLMOQO-CYBMUJFWSA-N 1 0 370.457 2.072 20 30 FEEDRO C[C@H](NC(=O)Nc1cnn(-c2ncccc2C#N)c1)C(C)(C)C[NH+](C)C ZINC000184585356 327874159 /nfs/dbraw/zinc/87/41/59/327874159.db2.gz AITWXBJMQFWMLH-ZDUSSCGKSA-N 1 0 355.446 2.237 20 30 FEEDRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)c2cccc(F)c2C#N)CC1 ZINC000188875510 328115491 /nfs/dbraw/zinc/11/54/91/328115491.db2.gz XXJLQYLULYGXSL-HOTGVXAUSA-N 1 0 358.461 2.328 20 30 FEEDRO C[C@H](NC(=O)C(=O)Nc1cccc(C#N)c1)[C@H](c1ccccc1)[NH+](C)C ZINC000191248515 328256183 /nfs/dbraw/zinc/25/61/83/328256183.db2.gz IULGTXIBZVZMII-KBXCAEBGSA-N 1 0 350.422 2.304 20 30 FEEDRO Cn1cc(C[NH2+]C[C@@H](O)COc2ccccc2Br)cc1C#N ZINC000191350696 328261469 /nfs/dbraw/zinc/26/14/69/328261469.db2.gz OJZXYIAVQLVNFS-CQSZACIVSA-N 1 0 364.243 2.189 20 30 FEEDRO CN(CCC[NH+]1CCN(C)CC1)Cc1cc(C#N)ccc1Br ZINC000191817783 328283666 /nfs/dbraw/zinc/28/36/66/328283666.db2.gz OTESBHFVKTXXPA-UHFFFAOYSA-N 1 0 365.319 2.390 20 30 FEEDRO COc1cccc(CN(CC[NH+](C)C)C(=O)c2ccc(C#N)c(C)n2)c1 ZINC000191955397 328290352 /nfs/dbraw/zinc/29/03/52/328290352.db2.gz HLWWHXFNQXQXID-UHFFFAOYSA-N 1 0 352.438 2.474 20 30 FEEDRO Cn1cc(C(=O)NCC2CC[NH+](Cc3ccc(C#N)c(F)c3)CC2)cn1 ZINC000192033871 328295857 /nfs/dbraw/zinc/29/58/57/328295857.db2.gz KPQMKBZLKODJRT-UHFFFAOYSA-N 1 0 355.417 2.073 20 30 FEEDRO Cc1cc(C)n2c(C[NH2+][C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)cnc2n1 ZINC000192244839 328308624 /nfs/dbraw/zinc/30/86/24/328308624.db2.gz GJKKAYPTSAANDU-LJQANCHMSA-N 1 0 374.448 2.109 20 30 FEEDRO N#Cc1ccc(CN2CC[C@H]([NH2+]Cc3ccc4c(c3)OCCO4)C2=O)cc1 ZINC000192242861 328308702 /nfs/dbraw/zinc/30/87/02/328308702.db2.gz JCCQORHNDBXFDI-SFHVURJKSA-N 1 0 363.417 2.220 20 30 FEEDRO N#Cc1ccc(N2CCC[C@H](N(CC(N)=O)Cc3ccccc3)C2=O)cc1 ZINC000192587760 328327419 /nfs/dbraw/zinc/32/74/19/328327419.db2.gz OFGZAFNNNKPSCV-IBGZPJMESA-N 1 0 362.433 2.041 20 30 FEEDRO N#Cc1ccc(Cn2cnc(NC(=O)C3CC[NH+](C4CC4)CC3)n2)cc1 ZINC000192681325 328332925 /nfs/dbraw/zinc/33/29/25/328332925.db2.gz ATRWRERHCVMOED-UHFFFAOYSA-N 1 0 350.426 2.011 20 30 FEEDRO CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000193374771 328371413 /nfs/dbraw/zinc/37/14/13/328371413.db2.gz TXUKGWLYJJWWSL-INIZCTEOSA-N 1 0 371.485 2.140 20 30 FEEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)[C@H](C)C1 ZINC000193430386 328374938 /nfs/dbraw/zinc/37/49/38/328374938.db2.gz KTQBOJXSZMRTIA-GDBMZVCRSA-N 1 0 373.501 2.242 20 30 FEEDRO C[NH+](C)CCOc1ccc(CNC(=O)NCc2ccc(C#N)cc2)cc1 ZINC000045794199 324586986 /nfs/dbraw/zinc/58/69/86/324586986.db2.gz GWTUNIQXOUGAAT-UHFFFAOYSA-N 1 0 352.438 2.498 20 30 FEEDRO CCc1ccc([C@H](CNC(=O)C(=O)Nc2ccc(C#N)cc2)[NH+](C)C)cc1 ZINC000048846133 324675548 /nfs/dbraw/zinc/67/55/48/324675548.db2.gz HQTUKWGXCYOTAI-IBGZPJMESA-N 1 0 364.449 2.478 20 30 FEEDRO N#Cc1ccccc1OCC(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000053990311 324753516 /nfs/dbraw/zinc/75/35/16/324753516.db2.gz RWDZFKDLSVOPPR-UHFFFAOYSA-N 1 0 350.422 2.113 20 30 FEEDRO N#Cc1ccc(NC(=O)C(=O)NCCC[NH+]2CCCC2)cc1C(F)(F)F ZINC000076226675 324926204 /nfs/dbraw/zinc/92/62/04/324926204.db2.gz BMXHCOCQCCZALH-UHFFFAOYSA-N 1 0 368.359 2.118 20 30 FEEDRO C[C@H]([NH3+])[C@@H]1CCCCN1S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000237457972 328516785 /nfs/dbraw/zinc/51/67/85/328516785.db2.gz WTJJMOFCAHSEMN-HZMBPMFUSA-N 1 0 372.288 2.211 20 30 FEEDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)Nc1cc(C#N)ccc1Cl ZINC000088771282 325300784 /nfs/dbraw/zinc/30/07/84/325300784.db2.gz FUGRKASNJJSLIM-QWHCGFSZSA-N 1 0 362.861 2.387 20 30 FEEDRO CC(C)CNC(=O)c1cccc(C[N@H+](C)CCCc2[nH]nc(N)c2C#N)c1 ZINC000089943037 325344080 /nfs/dbraw/zinc/34/40/80/325344080.db2.gz UNTIUFVUXNZLRE-UHFFFAOYSA-N 1 0 368.485 2.314 20 30 FEEDRO CC(C)[C@H](NC(=O)C[N@H+](C)CCCc1[nH]nc(N)c1C#N)c1ccccc1 ZINC000089943845 325344542 /nfs/dbraw/zinc/34/45/42/325344542.db2.gz RVQKKERVQLSLDB-IBGZPJMESA-N 1 0 368.485 2.241 20 30 FEEDRO COCC[NH+]1[C@H](C)CN([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@H]1C ZINC000245521556 328555303 /nfs/dbraw/zinc/55/53/03/328555303.db2.gz KVGAVWGWEKJYCG-HLIPFELVSA-N 1 0 370.497 2.095 20 30 FEEDRO CCCC[N@H+](C)CCNC(=O)C(=O)Nc1cc(C#N)ccc1OC(C)C ZINC000118114870 326082357 /nfs/dbraw/zinc/08/23/57/326082357.db2.gz TZAVUSZTXYABRK-UHFFFAOYSA-N 1 0 360.458 2.132 20 30 FEEDRO N#Cc1c(NC(=O)CC[N@@H+]2CCC[C@@H]2C(=O)NC2CC2)sc2c1CCC2 ZINC000121370310 326333342 /nfs/dbraw/zinc/33/33/42/326333342.db2.gz VXOCQOHOLBGQHW-OAHLLOKOSA-N 1 0 372.494 2.180 20 30 FEEDRO N#Cc1ccc([C@H]([NH2+][C@H]2CCCN(c3ccccc3F)C2)C(N)=O)cc1 ZINC000135321667 326639418 /nfs/dbraw/zinc/63/94/18/326639418.db2.gz IAIXLKIJUNNIBR-LPHOPBHVSA-N 1 0 352.413 2.482 20 30 FEEDRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(CCOc2cccc(C#N)c2)CC1 ZINC000153916568 326746236 /nfs/dbraw/zinc/74/62/36/326746236.db2.gz RZXDXFGYYRDNGD-OALUTQOASA-N 1 0 356.514 2.427 20 30 FEEDRO Cn1cnc2cc(C(=O)N(CC[NH+](C)C)Cc3cccc(C#N)c3)cnc21 ZINC000159792908 326942272 /nfs/dbraw/zinc/94/22/72/326942272.db2.gz RPSQFCFUXLOGKA-UHFFFAOYSA-N 1 0 362.437 2.044 20 30 FEEDRO C[C@H]([NH2+]C1CCN(c2ccc(C#N)cn2)CC1)c1ccc(-n2cnnn2)cc1 ZINC000161769360 327008559 /nfs/dbraw/zinc/00/85/59/327008559.db2.gz BRMAQVRBFLSJPS-HNNXBMFYSA-N 1 0 374.452 2.249 20 30 FEEDRO C[NH+](C)CCCC1CCN(S(=O)(=O)c2ccc(F)cc2C#N)CC1 ZINC000166287369 327081352 /nfs/dbraw/zinc/08/13/52/327081352.db2.gz CLMCBQCUAMGCNB-UHFFFAOYSA-N 1 0 353.463 2.440 20 30 FEEDRO N#Cc1cccc(NC(=O)CC[N@@H+]2CCC[C@H](c3nnc4n3CCC4)C2)c1 ZINC000171620849 327148566 /nfs/dbraw/zinc/14/85/66/327148566.db2.gz NIFVSGHNAVBJMW-INIZCTEOSA-N 1 0 364.453 2.304 20 30 FEEDRO Cc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000173568366 327267434 /nfs/dbraw/zinc/26/74/34/327267434.db2.gz ZPZGXWJQXAJXHK-QGZVFWFLSA-N 1 0 354.454 2.186 20 30 FEEDRO N#Cc1cccc(CNC(=O)N2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000173790507 327284449 /nfs/dbraw/zinc/28/44/49/327284449.db2.gz PFLCLSNZXQCZBO-UHFFFAOYSA-N 1 0 356.470 2.345 20 30 FEEDRO N#Cc1ccsc1NC(=O)CN1CCC(OCC[NH+]2CCCC2)CC1 ZINC000174239666 327315160 /nfs/dbraw/zinc/31/51/60/327315160.db2.gz WNRCGTCSJVVOJN-UHFFFAOYSA-N 1 0 362.499 2.135 20 30 FEEDRO Cc1cccc(NC(=O)C(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)c1C#N ZINC000174768984 327349568 /nfs/dbraw/zinc/34/95/68/327349568.db2.gz PPUOWNVFLLGFJQ-GOSISDBHSA-N 1 0 368.412 2.363 20 30 FEEDRO Cc1ccc(C#N)cc1NC(=O)C(=O)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000175954816 327423895 /nfs/dbraw/zinc/42/38/95/327423895.db2.gz HGZFNWXXTKCTAG-UHFFFAOYSA-N 1 0 356.470 2.386 20 30 FEEDRO N#Cc1cc(S(=O)(=O)N2CCC[C@H]2C[NH+]2CCCCC2)ccc1F ZINC000264147483 328995045 /nfs/dbraw/zinc/99/50/45/328995045.db2.gz ZHXIAAPOJFDCNT-HNNXBMFYSA-N 1 0 351.447 2.336 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2CC[C@H]([NH+]3CCCCC3)C2)cc1Cl ZINC000264654873 329045047 /nfs/dbraw/zinc/04/50/47/329045047.db2.gz XTAMUZUOIBMFGB-AWEZNQCLSA-N 1 0 353.875 2.461 20 30 FEEDRO C[C@H](CNC(=O)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)[NH+](C)C ZINC000265509834 329134441 /nfs/dbraw/zinc/13/44/41/329134441.db2.gz IKYYADDSALRSKT-CQSZACIVSA-N 1 0 366.421 2.355 20 30 FEEDRO CCO[C@@H]1C[C@@H](O)C12CC[NH+](CCOc1ccc(C#N)cc1OC)CC2 ZINC000265954126 329176132 /nfs/dbraw/zinc/17/61/32/329176132.db2.gz HWLWHBHOSLCQGN-RTBURBONSA-N 1 0 360.454 2.198 20 30 FEEDRO C[NH+](C)C1(CNC(=O)C(=O)Nc2ccc(F)cc2C#N)CCCCCC1 ZINC000267558256 329338092 /nfs/dbraw/zinc/33/80/92/329338092.db2.gz MJIVBFMKXPZUGH-UHFFFAOYSA-N 1 0 360.433 2.407 20 30 FEEDRO C[C@H]1C[C@H](NC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)C[N@@H+]1C1CC1 ZINC000267953714 329371495 /nfs/dbraw/zinc/37/14/95/329371495.db2.gz SBBRBHBDEQYZIP-LPHOPBHVSA-N 1 0 367.497 2.011 20 30 FEEDRO CC(C)[NH+]1CCC(N2CCN(CCOc3ccc(C#N)cc3)CC2)CC1 ZINC000269665779 329538665 /nfs/dbraw/zinc/53/86/65/329538665.db2.gz PYEWWORCVUDRNR-UHFFFAOYSA-N 1 0 356.514 2.427 20 30 FEEDRO CC(C)Oc1ccc(NC(=O)C(=O)N[C@H](C)C2=CC[N@H+](C)CC2)cc1C#N ZINC000276215891 330130043 /nfs/dbraw/zinc/13/00/43/330130043.db2.gz WQSAVSHVLCCALW-CQSZACIVSA-N 1 0 370.453 2.051 20 30 FEEDRO Cn1cc([C@@H](O)C[C@H]2CCC[N@@H+]2CCC(=O)Nc2ccc(C#N)cc2)cn1 ZINC000371454561 330243373 /nfs/dbraw/zinc/24/33/73/330243373.db2.gz ADTRTRTXAIYSOX-MOPGFXCFSA-N 1 0 367.453 2.208 20 30 FEEDRO C#C[C@@H](NC(=O)N[C@H](C)CN1CC[NH+](C)CC1)c1ccc(Cl)cc1F ZINC000805186373 674324869 /nfs/dbraw/zinc/32/48/69/674324869.db2.gz GTQTVUNAUSIGHM-CXAGYDPISA-N 1 0 366.868 2.089 20 30 FEEDRO N#Cc1cccc(OCCC[N@H+]2CCC[C@@H]2C(=O)N2CCSCC2)c1 ZINC000156048359 545595808 /nfs/dbraw/zinc/59/58/08/545595808.db2.gz KTCCAXDVINBRPK-GOSISDBHSA-N 1 0 359.495 2.367 20 30 FEEDRO N#Cc1ccc(CNC(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)c(F)c1 ZINC000156193861 545606657 /nfs/dbraw/zinc/60/66/57/545606657.db2.gz ZRNFTROWLFKAPR-RTBURBONSA-N 1 0 374.460 2.264 20 30 FEEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+](C)C[C@H](C)O)c1C#N ZINC000156271362 545613122 /nfs/dbraw/zinc/61/31/22/545613122.db2.gz GJVUACAGTPXYGY-ZDUSSCGKSA-N 1 0 358.442 2.259 20 30 FEEDRO C[NH+](C)CCN(Cc1ccccc1F)S(=O)(=O)c1ccccc1C#N ZINC000156629188 545640854 /nfs/dbraw/zinc/64/08/54/545640854.db2.gz GCTSJNGPZGGIBG-UHFFFAOYSA-N 1 0 361.442 2.450 20 30 FEEDRO C=CCNc1ncc(C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)s1 ZINC000159446533 545954598 /nfs/dbraw/zinc/95/45/98/545954598.db2.gz GWKNFWBWRKXUBB-GJZGRUSLSA-N 1 0 364.515 2.239 20 30 FEEDRO CC[NH+]=C(NC[C@@H]1CCOC1)N(C)Cc1cc(Br)cn1C ZINC000159472234 545956308 /nfs/dbraw/zinc/95/63/08/545956308.db2.gz KAXWGWRWMBXXHM-LBPRGKRZSA-N 1 0 357.296 2.221 20 30 FEEDRO C[NH+]=C(NCc1nccs1)N(C)Cc1cc(Br)cn1C ZINC000159471329 545956322 /nfs/dbraw/zinc/95/63/22/545956322.db2.gz KOEIAEYWJKDUAJ-UHFFFAOYSA-N 1 0 356.293 2.452 20 30 FEEDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)C1 ZINC000159463259 545956621 /nfs/dbraw/zinc/95/66/21/545956621.db2.gz PQBHOHFCNVYKEW-CYBMUJFWSA-N 1 0 362.861 2.244 20 30 FEEDRO C[NH+]=C(NC[C@@H](c1ccco1)N(C)C)N1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000160053434 546003251 /nfs/dbraw/zinc/00/32/51/546003251.db2.gz QZPBPHYAKNRHII-ULQDDVLXSA-N 1 0 358.490 2.237 20 30 FEEDRO N#CCOc1ccc(CC(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)cc1 ZINC000160323481 546030350 /nfs/dbraw/zinc/03/03/50/546030350.db2.gz OWJFDYXCNSBLJH-VQTJNVASSA-N 1 0 371.481 2.016 20 30 FEEDRO N#Cc1cccc(OCCCCC(=O)NC[C@H](O)C[NH+]2CCCCC2)c1 ZINC000160540444 546050098 /nfs/dbraw/zinc/05/00/98/546050098.db2.gz VHNVZHBKLPOECR-SFHVURJKSA-N 1 0 359.470 2.070 20 30 FEEDRO C=CCOc1ccc(/C=C/C(=O)NC[C@H](O)C[NH+]2CCCCC2)cc1OC ZINC000160647179 546058834 /nfs/dbraw/zinc/05/88/34/546058834.db2.gz NXCZZSQTBSHULO-LNENJAERSA-N 1 0 374.481 2.236 20 30 FEEDRO CCC(=O)N1CC[C@@H](NC(NCc2nc(C(C)(C)C)cs2)=[NH+]C)C1 ZINC000161308356 546118859 /nfs/dbraw/zinc/11/88/59/546118859.db2.gz CPKNFSLBFCNIJV-GFCCVEGCSA-N 1 0 351.520 2.117 20 30 FEEDRO N#CC1(NC(=O)CC[NH+]2CCN(c3ccccc3)CC2)CCSCC1 ZINC000162146973 546136898 /nfs/dbraw/zinc/13/68/98/546136898.db2.gz JFBKDDLOPROQTM-UHFFFAOYSA-N 1 0 358.511 2.104 20 30 FEEDRO C[C@H](NC(=[NH2+])NCCC(=O)N1CCOCC1)c1ccc(Cl)cc1Cl ZINC000170910136 546181773 /nfs/dbraw/zinc/18/17/73/546181773.db2.gz WVCVUWNZTAUTQG-NSHDSACASA-N 1 0 373.284 2.208 20 30 FEEDRO COc1ccc(CCNC(=[NH2+])NC[C@H](O)c2ccc(C)cc2)cc1OC ZINC000170906219 546182071 /nfs/dbraw/zinc/18/20/71/546182071.db2.gz MTJKQKUSEDGXCW-KRWDZBQOSA-N 1 0 357.454 2.193 20 30 FEEDRO COc1ccc(NC(=[NH2+])NCC(=O)N(C)Cc2ccccc2)cc1OC ZINC000170913607 546182867 /nfs/dbraw/zinc/18/28/67/546182867.db2.gz XJXAOAZCMPXPKK-UHFFFAOYSA-N 1 0 356.426 2.089 20 30 FEEDRO N#CCCCCNC(=O)C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000171474209 546210905 /nfs/dbraw/zinc/21/09/05/546210905.db2.gz FYOCNFFUHNKKFH-UHFFFAOYSA-N 1 0 374.510 2.026 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)NCc2cccc(N3CCCC3=O)c2)CC1 ZINC000171713181 546221071 /nfs/dbraw/zinc/22/10/71/546221071.db2.gz ATQKZDBOHQUGIO-UHFFFAOYSA-N 1 0 356.470 2.263 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)c2nn(CC(C)C)c(=O)c3ccccc32)CC1 ZINC000171726877 546221546 /nfs/dbraw/zinc/22/15/46/546221546.db2.gz RWICWVUORQADFZ-UHFFFAOYSA-N 1 0 368.481 2.433 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N2CCC[C@@H](C(=O)N[C@H](C)CCC)C2)CC1 ZINC000171738598 546222758 /nfs/dbraw/zinc/22/27/58/546222758.db2.gz SPGYUDNQXMWGJU-IAGOWNOFSA-N 1 0 364.534 2.363 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N2CCC[C@H](c3nnc4ccccn43)C2)CC1 ZINC000171737454 546222986 /nfs/dbraw/zinc/22/29/86/546222986.db2.gz KFBWQPVARWUOLT-INIZCTEOSA-N 1 0 368.485 2.269 20 30 FEEDRO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)Nc1ccn(CCC#N)n1 ZINC000173380228 546280793 /nfs/dbraw/zinc/28/07/93/546280793.db2.gz MMBVRGPKFMLCLS-RDJZCZTQSA-N 1 0 367.457 2.224 20 30 FEEDRO C[NH+]1CCN(CCOc2ccc(NC(=O)C3(C#N)CCCC3)cc2)CC1 ZINC000174039988 546289729 /nfs/dbraw/zinc/28/97/29/546289729.db2.gz JENHAIZEFXLGLZ-UHFFFAOYSA-N 1 0 356.470 2.335 20 30 FEEDRO Cc1cc(N2CC[C@H]([NH2+][C@H](C)c3ccc(OCC#N)cc3)C2=O)n(C)n1 ZINC000174044983 546289810 /nfs/dbraw/zinc/28/98/10/546289810.db2.gz GNACSSNORDVIMV-PBHICJAKSA-N 1 0 353.426 2.087 20 30 FEEDRO C[C@H]([NH2+][C@@H]1CCCN(c2ccn(C)n2)C1=O)c1ccc(OCC#N)cc1 ZINC000174045064 546289912 /nfs/dbraw/zinc/28/99/12/546289912.db2.gz OZTHLSUPRDFOCR-WMLDXEAASA-N 1 0 353.426 2.169 20 30 FEEDRO CC(C)(C)c1noc(CO[NH+]=C(N)c2ccc(N3CCC(O)CC3)cc2)n1 ZINC000174126109 546291872 /nfs/dbraw/zinc/29/18/72/546291872.db2.gz IYSTYWRXTCQAHH-UHFFFAOYSA-N 1 0 373.457 2.165 20 30 FEEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@H](CC(N)=O)C2)c1 ZINC000175264008 546308096 /nfs/dbraw/zinc/30/80/96/546308096.db2.gz UZTOEAOCNBITIJ-QGZVFWFLSA-N 1 0 356.470 2.138 20 30 FEEDRO CCC[N@H+](CC)CCNC(=O)N1CCN(c2cccc(F)c2C#N)CC1 ZINC000175762973 546344978 /nfs/dbraw/zinc/34/49/78/546344978.db2.gz WDZKSKOUWPHCBJ-UHFFFAOYSA-N 1 0 361.465 2.261 20 30 FEEDRO C[C@H]1C[C@@H](NS(=O)(=O)c2ccc(C#N)nc2)CC[N@@H+]1Cc1ccccc1 ZINC000175846945 546362144 /nfs/dbraw/zinc/36/21/44/546362144.db2.gz DYBAYYPEAXGCIB-RDJZCZTQSA-N 1 0 370.478 2.285 20 30 FEEDRO N#Cc1cc(F)ccc1NC(=O)C(=O)NCCCCC[NH+]1CCCCC1 ZINC000175982491 546384080 /nfs/dbraw/zinc/38/40/80/546384080.db2.gz IHIAFRVTLYVTJV-UHFFFAOYSA-N 1 0 360.433 2.408 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@H](C(=O)OC(C)(C)C)C2)CC1 ZINC000176154095 546414708 /nfs/dbraw/zinc/41/47/08/546414708.db2.gz YSJZDDKXTNVJAG-HNNXBMFYSA-N 1 0 351.491 2.400 20 30 FEEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000177426771 546614803 /nfs/dbraw/zinc/61/48/03/546614803.db2.gz MJCZFCXQEZVFFK-UHFFFAOYSA-N 1 0 370.497 2.319 20 30 FEEDRO N#CCC[C@@H](NC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccccc1 ZINC000178794852 546849887 /nfs/dbraw/zinc/84/98/87/546849887.db2.gz OTYPKDZERRNAKG-PKOBYXMFSA-N 1 0 356.470 2.395 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H](C)c2ccc(-n3ccnn3)cc2)CC1 ZINC000179138750 546904696 /nfs/dbraw/zinc/90/46/96/546904696.db2.gz LDWBZGIVDGRRNG-HNNXBMFYSA-N 1 0 354.458 2.278 20 30 FEEDRO Cc1cccc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)c1C#N ZINC000179474310 546960733 /nfs/dbraw/zinc/96/07/33/546960733.db2.gz SRJWFWJACUOABS-RBUKOAKNSA-N 1 0 362.433 2.367 20 30 FEEDRO Cc1onc(CC(=O)NC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)c1C#N ZINC000482268854 561251600 /nfs/dbraw/zinc/25/16/00/561251600.db2.gz RBDFJFROYBZMCZ-IBGZPJMESA-N 1 0 352.438 2.424 20 30 FEEDRO Cn1cc(CN2CCC([N@H+](C)CCCO)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000180155681 547059919 /nfs/dbraw/zinc/05/99/19/547059919.db2.gz INVGTDDJEJKQAN-UHFFFAOYSA-N 1 0 367.497 2.237 20 30 FEEDRO CC(C)[C@@H](CNC(=O)c1ccc(C2(C#N)CC2)cc1)[NH+]1CCN(C)CC1 ZINC000180390173 547099298 /nfs/dbraw/zinc/09/92/98/547099298.db2.gz FNNSBKFPLFFHOO-LJQANCHMSA-N 1 0 354.498 2.244 20 30 FEEDRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)C1(C#N)CCOCC1 ZINC000180424464 547107147 /nfs/dbraw/zinc/10/71/47/547107147.db2.gz VNKBZNPHDGXPNJ-UHFFFAOYSA-N 1 0 356.470 2.467 20 30 FEEDRO C[C@@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1ccccc1OC(F)F ZINC000180868711 547198821 /nfs/dbraw/zinc/19/88/21/547198821.db2.gz ZLKXPTBHWXADDJ-YZSSSTSJSA-N 1 0 351.353 2.465 20 30 FEEDRO C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(S(=O)(=O)NC)cc1 ZINC000181046336 547239095 /nfs/dbraw/zinc/23/90/95/547239095.db2.gz BFXLCLMKSUWTOQ-HUUCEWRRSA-N 1 0 367.515 2.058 20 30 FEEDRO CC#CCCNC(=O)N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000483430149 561277038 /nfs/dbraw/zinc/27/70/38/561277038.db2.gz VCSDEZUWCUJAJX-LJQANCHMSA-N 1 0 369.513 2.039 20 30 FEEDRO C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000181665556 547355620 /nfs/dbraw/zinc/35/56/20/547355620.db2.gz OFOVXGAMPPBOHL-PMPSAXMXSA-N 1 0 372.469 2.153 20 30 FEEDRO C[C@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)C(=O)NCc1ccco1 ZINC000181737517 547370720 /nfs/dbraw/zinc/37/07/20/547370720.db2.gz JUCHCHNFOXJGKP-INIZCTEOSA-N 1 0 366.465 2.410 20 30 FEEDRO CN(CCC#N)C(=O)CC[NH+]1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000183150834 547611577 /nfs/dbraw/zinc/61/15/77/547611577.db2.gz HZLUFXBBVQGIDS-UHFFFAOYSA-N 1 0 357.380 2.301 20 30 FEEDRO C[C@H](C(=O)N(C)CCC#N)[NH+]1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000183165453 547614032 /nfs/dbraw/zinc/61/40/32/547614032.db2.gz MSLYBWGEYYXVGP-GFCCVEGCSA-N 1 0 357.380 2.299 20 30 FEEDRO CC(C)[C@H](C#N)N1CCN(C(=O)C[NH2+][C@@H](C)[C@@H](C)c2ccccc2)CC1 ZINC000183365263 547645151 /nfs/dbraw/zinc/64/51/51/547645151.db2.gz FVSLFYUEEPWBPI-HBFSDRIKSA-N 1 0 356.514 2.461 20 30 FEEDRO N#CCOc1ccccc1C(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000183419015 547655272 /nfs/dbraw/zinc/65/52/72/547655272.db2.gz SXXRKRXXNGHKMF-SFHVURJKSA-N 1 0 365.433 2.086 20 30 FEEDRO C=CCN1CCC([NH2+][C@H](C)CC(=O)Nc2cccc(C(=O)OC)c2)CC1 ZINC000183499831 547671618 /nfs/dbraw/zinc/67/16/18/547671618.db2.gz LDEZCIOKVNDNDC-OAHLLOKOSA-N 1 0 359.470 2.430 20 30 FEEDRO CCC[N@@H+]1CC[C@H](CNC(=O)Nc2cc(C#N)ccc2OCCOC)C1 ZINC000183511280 547673724 /nfs/dbraw/zinc/67/37/24/547673724.db2.gz JGVVUGULMFIGTB-MRXNPFEDSA-N 1 0 360.458 2.437 20 30 FEEDRO C=CC[C@H](CO)NC(=O)NC[C@@H](c1ccccc1OC)[NH+]1CCCCC1 ZINC000183532052 547676057 /nfs/dbraw/zinc/67/60/57/547676057.db2.gz PYJVLWVALHGKQH-AEFFLSMTSA-N 1 0 361.486 2.458 20 30 FEEDRO C#CCOc1ccccc1NC(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000184532385 547841370 /nfs/dbraw/zinc/84/13/70/547841370.db2.gz GZRYKUCDMGNBCJ-KRWDZBQOSA-N 1 0 369.465 2.114 20 30 FEEDRO COCCOc1ccc(C#N)cc1NC(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000184598831 547852604 /nfs/dbraw/zinc/85/26/04/547852604.db2.gz IBDIXYOWPGJFJI-INIZCTEOSA-N 1 0 360.458 2.389 20 30 FEEDRO N#Cc1c(NC(=O)CC[NH2+][C@H]2CCCC[C@H]2C(N)=O)sc2c1CCCC2 ZINC000184807484 547881582 /nfs/dbraw/zinc/88/15/82/547881582.db2.gz ZENDMCFERJRCIG-HIFRSBDPSA-N 1 0 374.510 2.461 20 30 FEEDRO CN(CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)Cc1cccc(C#N)c1 ZINC000184934511 547903668 /nfs/dbraw/zinc/90/36/68/547903668.db2.gz YTMYCAZRSQGRNG-HXUWFJFHSA-N 1 0 350.466 2.409 20 30 FEEDRO CN(CC[N@H+](C)C1CC1)S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000185228156 547955100 /nfs/dbraw/zinc/95/51/00/547955100.db2.gz AEDWOAIZRFJEDF-UHFFFAOYSA-N 1 0 372.288 2.035 20 30 FEEDRO COc1cc(C#N)ccc1S(=O)(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000185674908 548018266 /nfs/dbraw/zinc/01/82/66/548018266.db2.gz CBKBNGXDNDFLMI-INIZCTEOSA-N 1 0 363.483 2.206 20 30 FEEDRO COc1cc(C#N)ccc1S(=O)(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000185786198 548035884 /nfs/dbraw/zinc/03/58/84/548035884.db2.gz VRNRPQKIEZUNQR-HNNXBMFYSA-N 1 0 351.472 2.062 20 30 FEEDRO COc1ccc(CCNC(=[NH2+])NCC[C@@](C)(O)c2ccccc2)cc1OC ZINC000186890462 548213064 /nfs/dbraw/zinc/21/30/64/548213064.db2.gz WOHRKPWCGXPIHS-OAQYLSRUSA-N 1 0 371.481 2.448 20 30 FEEDRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000186916679 548218639 /nfs/dbraw/zinc/21/86/39/548218639.db2.gz FBGUYGWSZPWBLX-UHFFFAOYSA-N 1 0 354.498 2.074 20 30 FEEDRO C=C(C)CN(CC)C(=O)C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC000187450998 548257900 /nfs/dbraw/zinc/25/79/00/548257900.db2.gz MMWRPNSJIHZQES-UHFFFAOYSA-N 1 0 358.486 2.192 20 30 FEEDRO C=CCOc1cc(OC)ccc1C(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000188661395 548283859 /nfs/dbraw/zinc/28/38/59/548283859.db2.gz GYLLGUQRDIEEBW-HNNXBMFYSA-N 1 0 362.470 2.177 20 30 FEEDRO C=CCOc1ccc(C(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)cc1OC ZINC000188709530 548285561 /nfs/dbraw/zinc/28/55/61/548285561.db2.gz XIXJTCKAZZLUDP-OAHLLOKOSA-N 1 0 362.470 2.177 20 30 FEEDRO C=CCOc1ccc(C(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)cc1OC ZINC000188709552 548286152 /nfs/dbraw/zinc/28/61/52/548286152.db2.gz XIXJTCKAZZLUDP-HNNXBMFYSA-N 1 0 362.470 2.177 20 30 FEEDRO CCCN1CCCN([C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)CC1=O ZINC000189374617 548301564 /nfs/dbraw/zinc/30/15/64/548301564.db2.gz YLZNYPZZFGNFIC-OHTSDLOESA-N 1 0 362.518 2.250 20 30 FEEDRO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@H+](C)CC2(O)CCOCC2)cc1 ZINC000189774803 548311357 /nfs/dbraw/zinc/31/13/57/548311357.db2.gz OTFDJYWRICKMGO-KRWDZBQOSA-N 1 0 359.470 2.104 20 30 FEEDRO C#CCOc1ccc(C[NH2+][C@@H]2CCCN(c3ccnn3CC)C2=O)cc1 ZINC000191639752 548347740 /nfs/dbraw/zinc/34/77/40/548347740.db2.gz VVVMVERQCLFOBW-GOSISDBHSA-N 1 0 352.438 2.200 20 30 FEEDRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC000487572508 561372117 /nfs/dbraw/zinc/37/21/17/561372117.db2.gz LKDDXMMEEFTEOJ-FHLIZLRMSA-N 1 0 360.889 2.247 20 30 FEEDRO N#Cc1cc(Br)cc(S(=O)(=O)N[C@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000237996136 548870343 /nfs/dbraw/zinc/87/03/43/548870343.db2.gz RBYJIQJFFYLBGA-RISCZKNCSA-N 1 0 372.288 2.117 20 30 FEEDRO CN(CCC#N)c1ccc(C[N@@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)cc1 ZINC000245500613 548934713 /nfs/dbraw/zinc/93/47/13/548934713.db2.gz AWVKCOPUQZKCIF-LJQANCHMSA-N 1 0 370.497 2.107 20 30 FEEDRO N#Cc1cccc(/C=C/C(=O)NC[C@@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)c1 ZINC000245586087 548952584 /nfs/dbraw/zinc/95/25/84/548952584.db2.gz MIQAVCYYQOYODJ-XNZYIBKVSA-N 1 0 361.445 2.323 20 30 FEEDRO CNC(=O)[C@H](C)C[N@H+](C)CC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000246288100 549096752 /nfs/dbraw/zinc/09/67/52/549096752.db2.gz XPUFXXOOWMVHDP-ZIAGYGMSSA-N 1 0 362.499 2.191 20 30 FEEDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(S(=O)(=O)c2ccc(C#N)nc2)C1 ZINC000246349773 549110952 /nfs/dbraw/zinc/11/09/52/549110952.db2.gz JSUIYQZVRPECIZ-HZPDHXFCSA-N 1 0 362.499 2.228 20 30 FEEDRO Cc1oc(NC(=O)[C@H](C)N2CCC[C@@H](C[NH+]3CCOCC3)C2)c(C#N)c1C ZINC000246599254 549172126 /nfs/dbraw/zinc/17/21/26/549172126.db2.gz KHLXNNBKNYKKAB-RDJZCZTQSA-N 1 0 374.485 2.139 20 30 FEEDRO Cc1ncc(S(=O)(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1C#N ZINC000489047907 561402117 /nfs/dbraw/zinc/40/21/17/561402117.db2.gz OKPQWVBHEDAQJZ-UHFFFAOYSA-N 1 0 370.478 2.336 20 30 FEEDRO C=CCn1cccc1C(=O)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000489017535 561401767 /nfs/dbraw/zinc/40/17/67/561401767.db2.gz FSQRNOBVHFQIEG-OALUTQOASA-N 1 0 353.466 2.287 20 30 FEEDRO Cc1ncc(S(=O)(=O)NC2CC[NH+](CC3CCCC3)CC2)cc1C#N ZINC000489288461 561407249 /nfs/dbraw/zinc/40/72/49/561407249.db2.gz DWTZTVBXXDWLEJ-UHFFFAOYSA-N 1 0 362.499 2.195 20 30 FEEDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000248387274 549424500 /nfs/dbraw/zinc/42/45/00/549424500.db2.gz ATFZXXZBFSYSOJ-GJZGRUSLSA-N 1 0 367.457 2.381 20 30 FEEDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2S(=O)(=O)c2cc(C#N)ccc2Cl)C1 ZINC000248505425 549451930 /nfs/dbraw/zinc/45/19/30/549451930.db2.gz WNVNJCFBSOWCFC-DZGCQCFKSA-N 1 0 353.875 2.316 20 30 FEEDRO C[N@@H+]1CCC[C@H]2CN(S(=O)(=O)c3ccc(C#N)cc3Cl)CC[C@H]21 ZINC000248620340 549469465 /nfs/dbraw/zinc/46/94/65/549469465.db2.gz XVVRFHSNCOLVCE-DZGCQCFKSA-N 1 0 353.875 2.316 20 30 FEEDRO COC[C@@H](Cc1ccccc1)[N@H+](C)C[C@H](O)COc1ccc(C#N)cc1 ZINC000249148436 549560244 /nfs/dbraw/zinc/56/02/44/549560244.db2.gz XFSKWVRVFJUTDK-UXHICEINSA-N 1 0 354.450 2.487 20 30 FEEDRO C=C(C)CN(CC)C(=O)[C@@H](C)N(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000249552780 549604423 /nfs/dbraw/zinc/60/44/23/549604423.db2.gz IPHANNYXEZEVEJ-KNQAVFIVSA-N 1 0 373.541 2.368 20 30 FEEDRO C=CCOc1ccc(C[NH+]2CCC(c3nnc4n3CCNC4)CC2)cc1 ZINC000261776423 549754167 /nfs/dbraw/zinc/75/41/67/549754167.db2.gz PRVGWDXKNDOWJN-UHFFFAOYSA-N 1 0 353.470 2.326 20 30 FEEDRO Cc1nnc(CNC(N[C@@H]2CCOc3ccccc32)=[NH+][C@H]2C[C@H]2C)n1C ZINC000262025770 549781571 /nfs/dbraw/zinc/78/15/71/549781571.db2.gz ZSRBOFZLNAGREH-WQVCFCJDSA-N 1 0 354.458 2.091 20 30 FEEDRO Cc1nn(C)c(C)c1CNC(NCc1nnc(C)n1C)=[NH+]C1CCCCC1 ZINC000262023201 549781764 /nfs/dbraw/zinc/78/17/64/549781764.db2.gz ZFOQKOHJBZWXHK-UHFFFAOYSA-N 1 0 372.521 2.042 20 30 FEEDRO COc1cc(C#N)ccc1S(=O)(=O)N1CCCc2cc(C[NH3+])ccc21 ZINC000262101584 549788703 /nfs/dbraw/zinc/78/87/03/549788703.db2.gz SUQSMWFMZOGPGU-UHFFFAOYSA-N 1 0 357.435 2.167 20 30 FEEDRO N#Cc1cc(S(=O)(=O)N[C@@H](C[NH3+])C2CCCC2)ccc1C(F)(F)F ZINC000262143073 549792435 /nfs/dbraw/zinc/79/24/35/549792435.db2.gz YAUYBSMNXKIIJR-AWEZNQCLSA-N 1 0 361.389 2.373 20 30 FEEDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3cccc(F)c3C#N)cn2)CC1 ZINC000490284308 561430211 /nfs/dbraw/zinc/43/02/11/561430211.db2.gz GHZVYSBQACLLCR-UHFFFAOYSA-N 1 0 367.428 2.164 20 30 FEEDRO C[NH+]=C(NCc1cc(C)cc2c(C)c(C)[nH]c21)NC[C@@H](O)c1cnn(C)c1 ZINC000262318757 549809977 /nfs/dbraw/zinc/80/99/77/549809977.db2.gz CJIVANJNAJJFQP-GOSISDBHSA-N 1 0 368.485 2.225 20 30 FEEDRO CC[C@@H](C)[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N1CCc2ccccc2C1 ZINC000262365064 549814054 /nfs/dbraw/zinc/81/40/54/549814054.db2.gz HNLVRAGMKFGMDP-CVEARBPZSA-N 1 0 363.527 2.224 20 30 FEEDRO C[NH+]=C(NC[C@H](C)N1CCc2sccc2C1)N1CC[C@H](COC)C1 ZINC000262450088 549820636 /nfs/dbraw/zinc/82/06/36/549820636.db2.gz JPKKJZQXHPQMQK-GJZGRUSLSA-N 1 0 350.532 2.038 20 30 FEEDRO C[C@H](NC(NC[C@@H]1CCS(=O)(=O)C1)=[NH+][C@@H]1C[C@H]1C)c1cccs1 ZINC000262443581 549820649 /nfs/dbraw/zinc/82/06/49/549820649.db2.gz UZYRUIUEFVDFRP-ZOBORPQBSA-N 1 0 355.529 2.187 20 30 FEEDRO CS(=O)(=O)Cc1cccc(CNC(=[NH2+])N[C@H]2CCOc3ccccc32)c1 ZINC000262556166 549827825 /nfs/dbraw/zinc/82/78/25/549827825.db2.gz UYZMPCKOUZWXTM-KRWDZBQOSA-N 1 0 373.478 2.159 20 30 FEEDRO CS(=O)(=O)Cc1cccc(CNC(=[NH2+])N[C@@H]2CCOc3ccccc32)c1 ZINC000262556167 549828169 /nfs/dbraw/zinc/82/81/69/549828169.db2.gz UYZMPCKOUZWXTM-QGZVFWFLSA-N 1 0 373.478 2.159 20 30 FEEDRO C[C@H]1C[NH+]=C(NC[C@H](c2ccc(C(F)(F)F)cc2)N2CCOCC2)N1 ZINC000262665781 549837042 /nfs/dbraw/zinc/83/70/42/549837042.db2.gz OPDQMZWNKHMXDO-SWLSCSKDSA-N 1 0 356.392 2.016 20 30 FEEDRO [NH2+]=C(NC[C@@H]1CCCCC(F)(F)C1)N1CCN(c2ncccn2)CC1 ZINC000262715197 549842879 /nfs/dbraw/zinc/84/28/79/549842879.db2.gz RLFQTIPWNXHLQD-CQSZACIVSA-N 1 0 352.433 2.129 20 30 FEEDRO C[NH+]=C(NCc1nnc2c(Cl)cc(C(F)(F)F)cn12)NCC1CC1 ZINC000262754307 549846264 /nfs/dbraw/zinc/84/62/64/549846264.db2.gz KEPMWIMGMBODNZ-UHFFFAOYSA-N 1 0 360.771 2.477 20 30 FEEDRO C[NH+]=C(NC[C@@H](O)c1cc(OC)ccc1OC)N1CCc2ccccc21 ZINC000263241373 549888295 /nfs/dbraw/zinc/88/82/95/549888295.db2.gz LJZXQWSRYVOPFS-GOSISDBHSA-N 1 0 355.438 2.375 20 30 FEEDRO Cc1nc(C(=O)N2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)ccc1C#N ZINC000263725075 549926667 /nfs/dbraw/zinc/92/66/67/549926667.db2.gz FGISTZFYSHJDNU-GJZGRUSLSA-N 1 0 356.470 2.223 20 30 FEEDRO CCCC(=O)NC[C@H]1CCCN(CC(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000263741773 549929505 /nfs/dbraw/zinc/92/95/05/549929505.db2.gz OLBXXWVGFGFKLY-OAHLLOKOSA-N 1 0 360.458 2.335 20 30 FEEDRO CCN(CCC#N)C(=O)C[NH+]1CCC(c2nc(-c3ccccc3)n[nH]2)CC1 ZINC000263878112 549949789 /nfs/dbraw/zinc/94/97/89/549949789.db2.gz JYMBSXCGEWDYGM-UHFFFAOYSA-N 1 0 366.469 2.413 20 30 FEEDRO CC[N@H+](C)[C@H](C(=O)N1CCN(c2ncccc2C#N)CC1)c1ccccc1 ZINC000264014064 549967871 /nfs/dbraw/zinc/96/78/71/549967871.db2.gz GYCSASRUFGSFID-IBGZPJMESA-N 1 0 363.465 2.295 20 30 FEEDRO COc1ccc(CNC(=[NH2+])NC[C@H](c2cccs2)N(C)C)cc1OC ZINC000264121037 549981047 /nfs/dbraw/zinc/98/10/47/549981047.db2.gz QZMHKGCDELAYBV-CQSZACIVSA-N 1 0 362.499 2.473 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccccc2CS(C)(=O)=O)CC1 ZINC000264365347 549994412 /nfs/dbraw/zinc/99/44/12/549994412.db2.gz IEZJKZHPRPAODT-UHFFFAOYSA-N 1 0 365.499 2.393 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)NC2CCN(C(=O)c3ccco3)CC2)CC1 ZINC000264421260 549996088 /nfs/dbraw/zinc/99/60/88/549996088.db2.gz WTZPLPPXSJUNLM-UHFFFAOYSA-N 1 0 374.485 2.224 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2CCN(c3ccccc3Cl)C2=O)CC1 ZINC000264795841 550001482 /nfs/dbraw/zinc/00/14/82/550001482.db2.gz YHIRHQFLELIRKI-GOSISDBHSA-N 1 0 373.884 2.249 20 30 FEEDRO N#C[C@@H]1CN(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)CCN1Cc1ccccc1 ZINC000265111849 550006169 /nfs/dbraw/zinc/00/61/69/550006169.db2.gz DWCCNMQCCJJRFQ-AABGKKOBSA-N 1 0 367.497 2.033 20 30 FEEDRO C[NH+](C)CC[C@H](NC(=O)C(=O)Nc1cccc(OCC#N)c1)C(C)(C)C ZINC000265281862 550008282 /nfs/dbraw/zinc/00/82/82/550008282.db2.gz PAMTTYQCAXXTDZ-INIZCTEOSA-N 1 0 360.458 2.010 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N[C@H](C)c2nc(-c3ccccc3OC)no2)CC1 ZINC000266356714 550019480 /nfs/dbraw/zinc/01/94/80/550019480.db2.gz DFRWYQMHXBRUOC-CQSZACIVSA-N 1 0 368.437 2.268 20 30 FEEDRO CC(C)[NH+]1CCC(O)(CNC(=O)C(C)(C)Oc2ccc(C#N)cc2)CC1 ZINC000268899211 550129431 /nfs/dbraw/zinc/12/94/31/550129431.db2.gz KQPMTGHZGYMITN-UHFFFAOYSA-N 1 0 359.470 2.067 20 30 FEEDRO C=C(C)[C@H](CC(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1)OCC ZINC000270037570 550245047 /nfs/dbraw/zinc/24/50/47/550245047.db2.gz JBGZLMRFMAGIFX-KRWDZBQOSA-N 1 0 361.442 2.466 20 30 FEEDRO C#CC[C@H](NC(=O)NCCCC[NH+]1CCN(CC)CC1)c1ccccc1 ZINC000270437925 550272403 /nfs/dbraw/zinc/27/24/03/550272403.db2.gz QGKIJFODKOJNGA-FQEVSTJZSA-N 1 0 356.514 2.468 20 30 FEEDRO Cc1cc(NC(=O)CC[NH+]2CCN(c3ccccc3)CC2)nn1CCC#N ZINC000271064763 550336790 /nfs/dbraw/zinc/33/67/90/550336790.db2.gz MJUUNHSPQRAZRS-UHFFFAOYSA-N 1 0 366.469 2.256 20 30 FEEDRO C=CCN(CC(=O)N1CCC(NC(=O)CCc2ccccc2)CC1)C1CC1 ZINC000271396283 550372075 /nfs/dbraw/zinc/37/20/75/550372075.db2.gz KTJHBXXWSHOKEN-UHFFFAOYSA-N 1 0 369.509 2.377 20 30 FEEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(CS(=O)(=O)CC(=O)OC)cc1 ZINC000271530234 550382506 /nfs/dbraw/zinc/38/25/06/550382506.db2.gz RXYLZRWZBOIGBF-HUUCEWRRSA-N 1 0 353.484 2.465 20 30 FEEDRO C[C@@H]1C[C@@H](CNC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)CCO1 ZINC000271604382 550389049 /nfs/dbraw/zinc/38/90/49/550389049.db2.gz UYKLMCVMJKFATH-APWZRJJASA-N 1 0 358.486 2.447 20 30 FEEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH2+][C@]1(C)CCO[C@H]1C ZINC000494256358 561465736 /nfs/dbraw/zinc/46/57/36/561465736.db2.gz IPQUWONZBGINPJ-HNAYVOBHSA-N 1 0 362.474 2.109 20 30 FEEDRO C#CCOc1ccccc1C[NH2+]Cc1c(C)nn(CCC(=O)OC)c1C ZINC000271839408 550405335 /nfs/dbraw/zinc/40/53/35/550405335.db2.gz QMTNRMKXXARODM-UHFFFAOYSA-N 1 0 355.438 2.365 20 30 FEEDRO C[C@@H]([NH2+]C[C@H](O)COc1ccc2c(c1)OCO2)c1ccc(OCC#N)cc1 ZINC000271850794 550405743 /nfs/dbraw/zinc/40/57/43/550405743.db2.gz RKKSLZFPPNIMQH-ZBFHGGJFSA-N 1 0 370.405 2.408 20 30 FEEDRO C[N@@H+]1CC[C@@H]2CCN(S(=O)(=O)c3ccc(C#N)c(C(F)(F)F)c3)[C@@H]2C1 ZINC000272278350 550434162 /nfs/dbraw/zinc/43/41/62/550434162.db2.gz DGFPOWHULQIBTR-IAQYHMDHSA-N 1 0 373.400 2.292 20 30 FEEDRO C=C(C[NH2+]C1CCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1)c1ccccc1 ZINC000272556827 550457724 /nfs/dbraw/zinc/45/77/24/550457724.db2.gz RSAPTJYTFAGOGA-UHFFFAOYSA-N 1 0 374.510 2.483 20 30 FEEDRO C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000272639328 550462254 /nfs/dbraw/zinc/46/22/54/550462254.db2.gz ZXLMSSMHYSSMAA-HZPDHXFCSA-N 1 0 370.453 2.003 20 30 FEEDRO C=CCS(=O)(=O)CC[NH2+]Cc1ccc(OC)c(OCCCC#N)c1 ZINC000272896544 550475887 /nfs/dbraw/zinc/47/58/87/550475887.db2.gz YZDHZBQEOFVZLY-UHFFFAOYSA-N 1 0 352.456 2.068 20 30 FEEDRO C[C@@H](NC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1)C1=CC[N@H+](C)CC1 ZINC000272940595 550477685 /nfs/dbraw/zinc/47/76/85/550477685.db2.gz LXCRMSGJMREWOQ-QGZVFWFLSA-N 1 0 367.497 2.036 20 30 FEEDRO N#Cc1ccnc(NCc2ccccc2C[N@H+]2CCC[C@H]2CO)c1[N+](=O)[O-] ZINC000273227534 550490494 /nfs/dbraw/zinc/49/04/94/550490494.db2.gz RFRTUFOXQLKOON-KRWDZBQOSA-N 1 0 367.409 2.430 20 30 FEEDRO C=CCCCCNC(=O)C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1 ZINC000274524843 550542003 /nfs/dbraw/zinc/54/20/03/550542003.db2.gz OEUSBHNDWNNPIF-UHFFFAOYSA-N 1 0 358.486 2.240 20 30 FEEDRO Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1[NH2+]CC(=O)N(C)C1(C#N)CCCCC1 ZINC000275241219 550571291 /nfs/dbraw/zinc/57/12/91/550571291.db2.gz FICIDPKMLJDEGN-LPHOPBHVSA-N 1 0 373.501 2.141 20 30 FEEDRO CCCOc1ccccc1NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C ZINC000275921683 550575098 /nfs/dbraw/zinc/57/50/98/550575098.db2.gz UQRUAAKVPBLHKX-UHFFFAOYSA-N 1 0 360.458 2.108 20 30 FEEDRO CCO[C@H](CC[NH+](C)C)CNC(=O)Nc1ncccc1OCCCC#N ZINC000276057884 550576297 /nfs/dbraw/zinc/57/62/97/550576297.db2.gz JVMHZELXSWBWPB-OAHLLOKOSA-N 1 0 363.462 2.242 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1ncccc1OCCCC#N ZINC000276113716 550576789 /nfs/dbraw/zinc/57/67/89/550576789.db2.gz VJDYWTOYDXWGBD-UHFFFAOYSA-N 1 0 358.446 2.463 20 30 FEEDRO C=CCCN(C)C(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000276484860 550578764 /nfs/dbraw/zinc/57/87/64/550578764.db2.gz UCCOVYHEFDRYJJ-UHFFFAOYSA-N 1 0 353.850 2.253 20 30 FEEDRO O=C1N[C@@]2(CC[N@H+](Cc3ccccc3)C2)C(=O)N1CC#Cc1ccccc1 ZINC000276526597 550579172 /nfs/dbraw/zinc/57/91/72/550579172.db2.gz FKMCGORKFPHQMD-JOCHJYFZSA-N 1 0 359.429 2.235 20 30 FEEDRO CCNC(=O)C1(C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)CCC1 ZINC000277161519 550638527 /nfs/dbraw/zinc/63/85/27/550638527.db2.gz GVXJVRFNRGVZHK-UHFFFAOYSA-N 1 0 351.454 2.355 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N(CCOC)Cc2scnc2C)CC1 ZINC000494872326 561478362 /nfs/dbraw/zinc/47/83/62/561478362.db2.gz FWYUMDIZSBJWBM-UHFFFAOYSA-N 1 0 352.504 2.260 20 30 FEEDRO CC[C@H]([NH2+]CCS(=O)(=O)NC[C@@H]1CCCCO1)c1ccc(C#N)cc1 ZINC000278395800 550780750 /nfs/dbraw/zinc/78/07/50/550780750.db2.gz FDAQXAXCXYJCLT-ROUUACIJSA-N 1 0 365.499 2.087 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)cc1 ZINC000279278358 550872608 /nfs/dbraw/zinc/87/26/08/550872608.db2.gz ODDAWOKVLGOILI-RCCFBDPRSA-N 1 0 360.479 2.269 20 30 FEEDRO C=C(C)[C@H]1OCC[C@H]1C(=O)NCc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000279565063 550903574 /nfs/dbraw/zinc/90/35/74/550903574.db2.gz SFNFRDKCCNIIAA-WOJBJXKFSA-N 1 0 357.498 2.031 20 30 FEEDRO C#CCn1ccc(CN(CC)[C@@H](C)C(=O)Nc2cccc(NC(C)=O)c2)n1 ZINC000279832933 550933734 /nfs/dbraw/zinc/93/37/34/550933734.db2.gz ZRPZSEIGXUXMRV-HNNXBMFYSA-N 1 0 367.453 2.324 20 30 FEEDRO Cc1cc(C)n(-c2ccc(C(N)=NOCCC[NH+]3CCCCC3)cn2)n1 ZINC000281205673 551074068 /nfs/dbraw/zinc/07/40/68/551074068.db2.gz PSUYBAJBOKUAGL-UHFFFAOYSA-N 1 0 356.474 2.397 20 30 FEEDRO COc1cc(C[NH2+][C@H]2CCCN(Cc3ccccn3)C2=O)ccc1C#N ZINC000281793568 551144439 /nfs/dbraw/zinc/14/44/39/551144439.db2.gz USTCOWCUMAFZSO-SFHVURJKSA-N 1 0 350.422 2.243 20 30 FEEDRO C=CCN1CC[C@H]([NH+]2CCC(c3nc(-c4ccccc4)n[nH]3)CC2)C1=O ZINC000281898974 551154928 /nfs/dbraw/zinc/15/49/28/551154928.db2.gz FMDAERWPLMRSLS-KRWDZBQOSA-N 1 0 351.454 2.438 20 30 FEEDRO COc1cc(C[N@H+](C)[C@@H](C)c2cccc(S(N)(=O)=O)c2)ccc1C#N ZINC000282128900 551184176 /nfs/dbraw/zinc/18/41/76/551184176.db2.gz BHGNARJVECJYHO-ZDUSSCGKSA-N 1 0 359.451 2.407 20 30 FEEDRO C=CCN(CCc1ccco1)C(=O)NC[C@H](C)C[NH+]1CCN(CC)CC1 ZINC000497511796 561502567 /nfs/dbraw/zinc/50/25/67/561502567.db2.gz YPWZQWHFUGSMPO-SFHVURJKSA-N 1 0 362.518 2.293 20 30 FEEDRO C=CCOc1c(Br)cc(C[N@H+](C)CCOCCO)cc1OC ZINC000282406080 551224063 /nfs/dbraw/zinc/22/40/63/551224063.db2.gz CWPSIHIXXLJWKK-UHFFFAOYSA-N 1 0 374.275 2.463 20 30 FEEDRO C[NH+](C)C[C@@H]1CCN(S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)C1 ZINC000282718722 551263303 /nfs/dbraw/zinc/26/33/03/551263303.db2.gz RLMLJRWFXQRLOV-NSHDSACASA-N 1 0 361.389 2.149 20 30 FEEDRO COC(=O)[C@]1(C)C[N@@H+]([C@H](C)C(=O)N(CCC#N)c2ccccc2)C[C@H]1C ZINC000282959829 551289916 /nfs/dbraw/zinc/28/99/16/551289916.db2.gz ZRCQMIIJUPGZHT-JXXFODFXSA-N 1 0 357.454 2.453 20 30 FEEDRO CO/N=C/C(=O)Nc1ccccc1N1CC[NH+](CCc2ccncc2)CC1 ZINC000283057095 551304923 /nfs/dbraw/zinc/30/49/23/551304923.db2.gz MKEGGWYBQKCBGP-CJLVFECKSA-N 1 0 367.453 2.017 20 30 FEEDRO C=CCCCN(C)C(=O)C(=O)NC[C@@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC000283217361 551330906 /nfs/dbraw/zinc/33/09/06/551330906.db2.gz AWYYHROOLFUUKJ-IBGZPJMESA-N 1 0 373.497 2.373 20 30 FEEDRO C=C(C)Cn1c(-c2ccc[nH]2)nnc1N1CC[NH+](CCOC(C)C)CC1 ZINC000283612756 551396956 /nfs/dbraw/zinc/39/69/56/551396956.db2.gz NEBDFZUKFJIWPC-UHFFFAOYSA-N 1 0 358.490 2.396 20 30 FEEDRO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C(C)C ZINC000498074771 561515610 /nfs/dbraw/zinc/51/56/10/561515610.db2.gz NUTWGEFSILDLOZ-OTWHNJEPSA-N 1 0 373.497 2.031 20 30 FEEDRO C[C@H](NC(=O)C(=O)NCc1cccc(C[NH+](C)C)c1)c1ccc(C#N)cc1 ZINC000284054204 551475395 /nfs/dbraw/zinc/47/53/95/551475395.db2.gz QHSGNRMVQNSIRG-HNNXBMFYSA-N 1 0 364.449 2.113 20 30 FEEDRO COCc1ncsc1C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000284071040 551478468 /nfs/dbraw/zinc/47/84/68/551478468.db2.gz VXKBXAXRHUBNAG-UHFFFAOYSA-N 1 0 358.467 2.365 20 30 FEEDRO C=CCN(CC=C)C(=O)C(=O)NC[C@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC000284146757 551492483 /nfs/dbraw/zinc/49/24/83/551492483.db2.gz XTSKBVPCIXHYEY-LJQANCHMSA-N 1 0 371.481 2.149 20 30 FEEDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C(=O)N(C)Cc2ccc(C#N)cc2)C1 ZINC000284416096 551544353 /nfs/dbraw/zinc/54/43/53/551544353.db2.gz XPBHMCOQQPVICM-IAGOWNOFSA-N 1 0 370.497 2.001 20 30 FEEDRO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@@H]1[C@H]1COCC[C@@]1(C)O ZINC000284827206 551644658 /nfs/dbraw/zinc/64/46/58/551644658.db2.gz OQTNBZVSGNXJPH-QSFMABPGSA-N 1 0 357.454 2.137 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)COc2cccc(C)c2)CC1 ZINC000284900336 551662458 /nfs/dbraw/zinc/66/24/58/551662458.db2.gz DIROPQNVISKEAC-KRWDZBQOSA-N 1 0 373.497 2.035 20 30 FEEDRO N#Cc1ccc(N2CCC(C(=O)N3CC[NH+](CC4CC4)CC3)CC2)c(F)c1 ZINC000284960278 551677443 /nfs/dbraw/zinc/67/74/43/551677443.db2.gz DGTASLYHLXBOCZ-UHFFFAOYSA-N 1 0 370.472 2.468 20 30 FEEDRO Cc1nn(Cc2ccccc2)c(N)c1C(=O)N(CCC#N)CCC[NH+](C)C ZINC000285071159 551700360 /nfs/dbraw/zinc/70/03/60/551700360.db2.gz LGTBINCRBJCBOG-UHFFFAOYSA-N 1 0 368.485 2.130 20 30 FEEDRO Cn1c(CC#N)nnc1SCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000285153202 551711729 /nfs/dbraw/zinc/71/17/29/551711729.db2.gz LYBZJPRYOBDIGC-UHFFFAOYSA-N 1 0 356.499 2.186 20 30 FEEDRO N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@@](O)(C(F)(F)F)CC2)cc1 ZINC000285576430 551777280 /nfs/dbraw/zinc/77/72/80/551777280.db2.gz OCIPZLCIQLUAGH-HOCLYGCPSA-N 1 0 358.360 2.077 20 30 FEEDRO C=CCCCCNC(=O)C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000285787631 551810738 /nfs/dbraw/zinc/81/07/38/551810738.db2.gz LVNQPGLWARPVED-IBGZPJMESA-N 1 0 357.498 2.140 20 30 FEEDRO N#Cc1ccc(N2CCC(C(=O)NCC[N@H+]3CC=CCC3)CC2)c(F)c1 ZINC000285968414 551833063 /nfs/dbraw/zinc/83/30/63/551833063.db2.gz OAMQRUWEEHWBPZ-UHFFFAOYSA-N 1 0 356.445 2.292 20 30 FEEDRO Cn1cc([C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C(=O)NC2(C#N)CCC2)cn1 ZINC000286055420 551843603 /nfs/dbraw/zinc/84/36/03/551843603.db2.gz FSGXVAXNGKILFC-MOPGFXCFSA-N 1 0 363.465 2.198 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCc2ccc(C(F)F)cc2)CC1 ZINC000286605553 551905431 /nfs/dbraw/zinc/90/54/31/551905431.db2.gz LARSRTGBEIFHLZ-UHFFFAOYSA-N 1 0 365.424 2.397 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2c3ccccc3CC[C@H]2C)CC1 ZINC000286614039 551906214 /nfs/dbraw/zinc/90/62/14/551906214.db2.gz LMCMXRNHFCGUOJ-BEFAXECRSA-N 1 0 355.482 2.193 20 30 FEEDRO N#Cc1ccc(N2CC[NH+](C[C@H](O)Cc3cccc(Cl)c3)CC2)nc1 ZINC000286719055 551918149 /nfs/dbraw/zinc/91/81/49/551918149.db2.gz DEQCUNGNGUUXQM-GOSISDBHSA-N 1 0 356.857 2.332 20 30 FEEDRO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CC[C@H](C(=O)N2CCCC2)C1 ZINC000286728626 551919617 /nfs/dbraw/zinc/91/96/17/551919617.db2.gz BLSHADSGAFUTFV-HIFRSBDPSA-N 1 0 374.872 2.483 20 30 FEEDRO COc1ccc(NC(=[NH2+])NCc2ccncc2OC[C@H]2CCOC2)cc1 ZINC000286948351 551943673 /nfs/dbraw/zinc/94/36/73/551943673.db2.gz ALUSULKBCQKPET-AWEZNQCLSA-N 1 0 356.426 2.432 20 30 FEEDRO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000287344740 551992222 /nfs/dbraw/zinc/99/22/22/551992222.db2.gz LDKGYSZALMEFNQ-ZWKOTPCHSA-N 1 0 368.481 2.266 20 30 FEEDRO C=CCOc1ccccc1CNC(=O)C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000287352001 551993384 /nfs/dbraw/zinc/99/33/84/551993384.db2.gz MZVMBSPBCZZGRW-UHFFFAOYSA-N 1 0 373.497 2.106 20 30 FEEDRO CC[C@](C)(C#N)C(=O)N1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000287367067 551995074 /nfs/dbraw/zinc/99/50/74/551995074.db2.gz NYWSTAOEMTYFNO-PZJWPPBQSA-N 1 0 354.498 2.345 20 30 FEEDRO C#CCC(C)(C)C(=O)N1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000287401218 551999272 /nfs/dbraw/zinc/99/92/72/551999272.db2.gz PLCBNVCPRWSIFY-FQEVSTJZSA-N 1 0 353.510 2.455 20 30 FEEDRO N#Cc1ccc(NC(=O)CC[N@@H+]2CC[C@@H](C(=O)N3CCCC3)C2)cc1Cl ZINC000287425020 552002381 /nfs/dbraw/zinc/00/23/81/552002381.db2.gz PEBHDLNGFRTFJL-OAHLLOKOSA-N 1 0 374.872 2.485 20 30 FEEDRO C#CC[C@H](Cc1ccccc1)NC(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000287678612 552033268 /nfs/dbraw/zinc/03/32/68/552033268.db2.gz AKLMFBOYJOUMRM-LJQANCHMSA-N 1 0 357.498 2.109 20 30 FEEDRO C=CCCCN(C)C(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000287824076 552051660 /nfs/dbraw/zinc/05/16/60/552051660.db2.gz BTRPIRZFRMRKJU-HKUYNNGSSA-N 1 0 357.498 2.438 20 30 FEEDRO CC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)C1 ZINC000288082112 552087459 /nfs/dbraw/zinc/08/74/59/552087459.db2.gz VWHMACJIMLVUQV-SJORKVTESA-N 1 0 358.461 2.324 20 30 FEEDRO C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)[C@@H]1C ZINC000288125077 552095560 /nfs/dbraw/zinc/09/55/60/552095560.db2.gz KGVBLRMTURHSRM-VYDXJSESSA-N 1 0 370.453 2.001 20 30 FEEDRO C=CCN1CC[C@H]([NH2+]C(C)(C)COc2ncccc2Br)C1=O ZINC000499600035 561554407 /nfs/dbraw/zinc/55/44/07/561554407.db2.gz MUHNLDMYYTUUSW-ZDUSSCGKSA-N 1 0 368.275 2.378 20 30 FEEDRO C#CC[C@H](Cc1ccccc1)NC(=O)N1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000288240569 552117075 /nfs/dbraw/zinc/11/70/75/552117075.db2.gz SFWNDKOFORGRBS-RTWAWAEBSA-N 1 0 368.525 2.042 20 30 FEEDRO C#C[C@H](NC(=O)C(=O)Nc1ccccc1C[NH+]1CCSCC1)C(C)(C)C ZINC000288400153 552147029 /nfs/dbraw/zinc/14/70/29/552147029.db2.gz MECYEWNHDSMVIP-KRWDZBQOSA-N 1 0 373.522 2.338 20 30 FEEDRO Cc1onc(CC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1C#N ZINC000499846594 561559663 /nfs/dbraw/zinc/55/96/63/561559663.db2.gz JZRJZOHXBOGZPA-KDOFPFPSSA-N 1 0 352.438 2.424 20 30 FEEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)Cn1ncc2ccccc21 ZINC000499914327 561561411 /nfs/dbraw/zinc/56/14/11/561561411.db2.gz SMZOIIVLYMOLBA-UHFFFAOYSA-N 1 0 361.449 2.498 20 30 FEEDRO CC(C)(C)OC(=O)N1CCN2C(NC[C@@H]3COc4ccccc43)=[NH+]C[C@@H]2C1 ZINC000288778769 552211137 /nfs/dbraw/zinc/21/11/37/552211137.db2.gz WCFXEAQIQNJGLP-HUUCEWRRSA-N 1 0 372.469 2.043 20 30 FEEDRO CCCN(CC[NH+]1CCCC1)C(=O)C(=O)Nc1cc(C#N)ccc1Cl ZINC000288896593 552232241 /nfs/dbraw/zinc/23/22/41/552232241.db2.gz GTSWVVNZSUQQRZ-UHFFFAOYSA-N 1 0 362.861 2.485 20 30 FEEDRO C=CCc1cc(C[N@@H+]2CCC[C@H]2C[C@@]2(C)NC(=O)NC2=O)cc(OC)c1O ZINC000289838800 552386787 /nfs/dbraw/zinc/38/67/87/552386787.db2.gz UNCDDDIVSHMYFP-MGPUTAFESA-N 1 0 373.453 2.082 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1CCCc2ccc(S(N)(=O)=O)cc21 ZINC000290808062 552541822 /nfs/dbraw/zinc/54/18/22/552541822.db2.gz WBANVEHXDDTUHO-JLSDUUJJSA-N 1 0 350.484 2.282 20 30 FEEDRO C=CCN(C[C@H](O)c1ccc(C(F)(F)F)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000291178948 552596759 /nfs/dbraw/zinc/59/67/59/552596759.db2.gz NZWLDMPZBADBDJ-CABCVRRESA-N 1 0 363.401 2.414 20 30 FEEDRO CC(C)C[NH+]1CCC(NC(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)CC1 ZINC000291639428 552646557 /nfs/dbraw/zinc/64/65/57/552646557.db2.gz JSQFVAMQTFFKBG-SFHVURJKSA-N 1 0 371.485 2.236 20 30 FEEDRO CC[NH+](CC)[C@H](CNC(=O)C(=O)Nc1sccc1C#N)c1ccco1 ZINC000293016936 552780801 /nfs/dbraw/zinc/78/08/01/552780801.db2.gz HOIJJQBJSVXJJD-CYBMUJFWSA-N 1 0 360.439 2.351 20 30 FEEDRO C#Cc1cc(F)c(NC(=O)C(=O)NCCCCC[NH+]2CCCC2)c(F)c1 ZINC000293835193 552861087 /nfs/dbraw/zinc/86/10/87/552861087.db2.gz XSBSFQXUVOQWEO-UHFFFAOYSA-N 1 0 363.408 2.267 20 30 FEEDRO C#CC[N@@H+](C)CCCNC(=O)c1c(C)nc(-c2ccco2)nc1SC ZINC000293981751 552872717 /nfs/dbraw/zinc/87/27/17/552872717.db2.gz NAESONSOLLFMAW-UHFFFAOYSA-N 1 0 358.467 2.452 20 30 FEEDRO C=CCc1cc(C(=O)N2CCO[C@@H]3CC[N@@H+](CC)C[C@@H]32)cc(OC)c1OC ZINC000294019686 552875789 /nfs/dbraw/zinc/87/57/89/552875789.db2.gz ZFOOUBVUYNFUOR-ZWKOTPCHSA-N 1 0 374.481 2.368 20 30 FEEDRO N#C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C[C@H]1c1ccccc1 ZINC000294289208 552894276 /nfs/dbraw/zinc/89/42/76/552894276.db2.gz QTRPYIUFAXEOIU-HOJAQTOUSA-N 1 0 353.466 2.396 20 30 FEEDRO C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1CC(=O)N[C@](C)(C#N)C1CC1 ZINC000501795507 561605613 /nfs/dbraw/zinc/60/56/13/561605613.db2.gz YTSQTZCBDKYMCH-CBGDNZLLSA-N 1 0 354.498 2.390 20 30 FEEDRO N#Cc1cnc(NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)c([N+](=O)[O-])c1 ZINC000294883078 552941309 /nfs/dbraw/zinc/94/13/09/552941309.db2.gz FQZGBERPWLAYAS-QGZVFWFLSA-N 1 0 367.409 2.430 20 30 FEEDRO C=CCOc1ccc(CC(=O)NC[C@H](C)C[NH+]2CCN(CC)CC2)cc1 ZINC000295010707 552951249 /nfs/dbraw/zinc/95/12/49/552951249.db2.gz XLKVJYKHOZSPJJ-SFHVURJKSA-N 1 0 359.514 2.184 20 30 FEEDRO C[C@H]1C[N@H+](CCCNC(=O)c2cnc(C(F)(F)F)c(C#N)c2)CCCO1 ZINC000295304365 552984469 /nfs/dbraw/zinc/98/44/69/552984469.db2.gz KDUQFBBSRRHNIS-LBPRGKRZSA-N 1 0 370.375 2.203 20 30 FEEDRO C#CCCOc1ccc(C(=O)N2CC[NH+](CC3CCOCC3)CC2)cc1 ZINC000295729501 553051417 /nfs/dbraw/zinc/05/14/17/553051417.db2.gz FFHJXIUZGYZEOT-UHFFFAOYSA-N 1 0 356.466 2.273 20 30 FEEDRO N#Cc1cccc(NC(=O)C2CC[NH+](C[C@@H]3CCNC(=O)CC3)CC2)c1 ZINC000295730481 553051441 /nfs/dbraw/zinc/05/14/41/553051441.db2.gz VVIWYXMOVNMWSG-HNNXBMFYSA-N 1 0 354.454 2.125 20 30 FEEDRO CCn1c([C@@H]2CCCO2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000296031433 553092252 /nfs/dbraw/zinc/09/22/52/553092252.db2.gz SURKQRFQNSNYGM-SFHVURJKSA-N 1 0 366.469 2.343 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2ncn(-c3ccccc3)n2)CC1 ZINC000296676117 553196877 /nfs/dbraw/zinc/19/68/77/553196877.db2.gz PXVLMVJYUHTFGW-UHFFFAOYSA-N 1 0 354.458 2.107 20 30 FEEDRO C[C@H](CNC(=O)C(=O)Nc1sc(C(C)(C)C)cc1C#N)C[NH+](C)C ZINC000296915086 553228986 /nfs/dbraw/zinc/22/89/86/553228986.db2.gz MAAAXJSAHJLVKJ-LLVKDONJSA-N 1 0 350.488 2.170 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)N[C@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000296993239 553239401 /nfs/dbraw/zinc/23/94/01/553239401.db2.gz SSLFWUOKUVPBSX-DLBZAZTESA-N 1 0 351.397 2.049 20 30 FEEDRO COCCOc1ccc(C#N)cc1NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000297111343 553254529 /nfs/dbraw/zinc/25/45/29/553254529.db2.gz HHMKDFKCQBVGPD-MQVJKMGUSA-N 1 0 358.442 2.330 20 30 FEEDRO N#Cc1cc(Br)cnc1N1CC[NH+](C2CCOCC2)CC1 ZINC000297653724 553320771 /nfs/dbraw/zinc/32/07/71/553320771.db2.gz YRONAJZFWLBFKZ-UHFFFAOYSA-N 1 0 351.248 2.017 20 30 FEEDRO COC(=O)[C@H]1CCN(CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)C1 ZINC000298788163 553473140 /nfs/dbraw/zinc/47/31/40/553473140.db2.gz IWMHDBCDDLAEOY-AWEZNQCLSA-N 1 0 363.845 2.390 20 30 FEEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000298874352 553483566 /nfs/dbraw/zinc/48/35/66/553483566.db2.gz LWDVEFJPHHDWMD-CHWSQXEVSA-N 1 0 373.457 2.021 20 30 FEEDRO Cc1[nH]nc2ncc(C[NH2+][C@H]3CCCN(c4ccc(C#N)cc4)C3=O)cc12 ZINC000503930801 561650272 /nfs/dbraw/zinc/65/02/72/561650272.db2.gz UGGHBXMAWDLRSQ-SFHVURJKSA-N 1 0 360.421 2.423 20 30 FEEDRO CN1CCC([NH+]2CCC(NC(=O)Nc3cccc(OCC#N)c3)CC2)CC1 ZINC000299482569 553569537 /nfs/dbraw/zinc/56/95/37/553569537.db2.gz FUUHXFKUKNTTNV-UHFFFAOYSA-N 1 0 371.485 2.269 20 30 FEEDRO C[N@H+](CCCO)C1CCN(c2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000301405731 553649327 /nfs/dbraw/zinc/64/93/27/553649327.db2.gz UJOWGWXFKIGJFE-UHFFFAOYSA-N 1 0 369.425 2.298 20 30 FEEDRO Cn1ccc2c(NC(=O)N(CCC#N)CCC[NH+](C)C)cccc2c1=O ZINC000505052388 561665781 /nfs/dbraw/zinc/66/57/81/561665781.db2.gz RZTLQWODRROJMH-UHFFFAOYSA-N 1 0 355.442 2.238 20 30 FEEDRO Cc1cc(NC(=O)N2CCN(C3CC[NH+](C(C)C)CC3)CC2)ncc1C#N ZINC000603121803 553712855 /nfs/dbraw/zinc/71/28/55/553712855.db2.gz SZCZJUFGRCHDKC-UHFFFAOYSA-N 1 0 370.501 2.284 20 30 FEEDRO C[C@H](CC[NH+]1CCN(C)CC1)Nc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1 ZINC000302239299 553713198 /nfs/dbraw/zinc/71/31/98/553713198.db2.gz HKLYCJRVFPEGPT-CQSZACIVSA-N 1 0 368.441 2.453 20 30 FEEDRO CC(C)(O)C[NH+]1CCN(Cc2ccc(Br)cc2C#N)CC1 ZINC000314954912 553759820 /nfs/dbraw/zinc/75/98/20/553759820.db2.gz OYLIWSDUMVSHHZ-UHFFFAOYSA-N 1 0 352.276 2.209 20 30 FEEDRO CCS(=O)(=O)N1CCC[C@@H](C(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC000328645239 553801318 /nfs/dbraw/zinc/80/13/18/553801318.db2.gz ASPSJGUBENJCDM-HZPDHXFCSA-N 1 0 359.536 2.125 20 30 FEEDRO Cc1ccc([C@H](CNC(=O)N2CCN(C3CC3)C(=O)C2)[NH+]2CCCC2)cc1 ZINC000328647709 553801672 /nfs/dbraw/zinc/80/16/72/553801672.db2.gz ABKCAWXQPPVGGQ-IBGZPJMESA-N 1 0 370.497 2.353 20 30 FEEDRO O=C(NCC1([NH+]2CCCCC2)CCCCC1)N1C[C@@H]2COC[C@H](C1)O2 ZINC000328683754 553806867 /nfs/dbraw/zinc/80/68/67/553806867.db2.gz DPIUIWDEVHFRMG-CALCHBBNSA-N 1 0 351.491 2.189 20 30 FEEDRO C[C@H](NC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1)c1cncc(F)c1 ZINC000328696901 553808757 /nfs/dbraw/zinc/80/87/57/553808757.db2.gz DKNMCVASMKFHSO-GJZGRUSLSA-N 1 0 350.438 2.240 20 30 FEEDRO COc1ncnc(N(C)C)c1NC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000328697850 553808935 /nfs/dbraw/zinc/80/89/35/553808935.db2.gz UUAILIJYEDFLMT-UHFFFAOYSA-N 1 0 362.478 2.047 20 30 FEEDRO O=C(NC[C@@H]1CN(Cc2ccccc2)CCO1)c1cn2c(n1)CCCC2 ZINC000328715726 553811173 /nfs/dbraw/zinc/81/11/73/553811173.db2.gz ONUVBMQBTHUYBK-QGZVFWFLSA-N 1 0 354.454 2.425 20 30 FEEDRO C[C@H](NC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1)C(=O)N1CCCC[C@@H]1C ZINC000328780278 553821458 /nfs/dbraw/zinc/82/14/58/553821458.db2.gz MIWNONKSZHYMSN-BQFCYCMXSA-N 1 0 364.534 2.354 20 30 FEEDRO Cn1nccc1[C@H]1[C@H](C(=O)NCC[N@H+](C)C2CCCCC2)CC(=O)N1C ZINC000328792776 553822989 /nfs/dbraw/zinc/82/29/89/553822989.db2.gz ALAZXGIYXLDPJL-CRAIPNDOSA-N 1 0 361.490 2.161 20 30 FEEDRO C[C@@H](NC(=O)c1cc2c([nH]c1=O)CCCC2)C(=O)NCC[NH+]1CCCCC1 ZINC000328797331 553823361 /nfs/dbraw/zinc/82/33/61/553823361.db2.gz VROCOPJLEJBSJM-CQSZACIVSA-N 1 0 374.485 2.227 20 30 FEEDRO C[NH+]1CCC([C@@H]2CCN(C(=O)N[C@@H]3CCN(c4ccccn4)C3)C2)CC1 ZINC000328879479 553837471 /nfs/dbraw/zinc/83/74/71/553837471.db2.gz VFDSNYNTJDUALJ-QZTJIDSGSA-N 1 0 357.502 2.238 20 30 FEEDRO O=C(Cn1nc(-c2ccccc2)ccc1=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000328920310 553844913 /nfs/dbraw/zinc/84/49/13/553844913.db2.gz LSPCJLWDKLYJDD-QZTJIDSGSA-N 1 0 352.438 2.494 20 30 FEEDRO CN1CCOC[C@@H]1C(=O)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000328928220 553846486 /nfs/dbraw/zinc/84/64/86/553846486.db2.gz GJOAQCLTUUDTEA-QGZVFWFLSA-N 1 0 360.458 2.352 20 30 FEEDRO CC1CCN(C(=O)N[C@@H]2CCC(=O)N(C3CC3)[C@H]2c2cncn2C)CC1 ZINC000328936281 553848315 /nfs/dbraw/zinc/84/83/15/553848315.db2.gz FUDRVIAOWHVLFQ-CRAIPNDOSA-N 1 0 359.474 2.261 20 30 FEEDRO C[N@@H+]1CC[C@@H]2OCCN(C(=O)C3CCC(NC(=O)C(C)(C)C)CC3)[C@H]2C1 ZINC000328992852 553860389 /nfs/dbraw/zinc/86/03/89/553860389.db2.gz DPVGCJOBENMSSQ-GQGLESIBSA-N 1 0 365.518 2.479 20 30 FEEDRO CC(C)[NH+]1CCN(c2cccc(NC(=O)C[C@@H]3NC(=O)NC3=O)c2)CC1 ZINC000329020209 553865677 /nfs/dbraw/zinc/86/56/77/553865677.db2.gz SGYFIJORERADTQ-HNNXBMFYSA-N 1 0 359.430 2.448 20 30 FEEDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1cnn2c1[nH]c(=O)c1ccccc12 ZINC000329066447 553874445 /nfs/dbraw/zinc/87/44/45/553874445.db2.gz LLKWGNUSKGFMOQ-ZBFHGGJFSA-N 1 0 351.410 2.107 20 30 FEEDRO C[C@@H]1C[C@@H](NC(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)CCO1 ZINC000329082119 553876999 /nfs/dbraw/zinc/87/69/99/553876999.db2.gz DLJMFINHZLEBKV-SJORKVTESA-N 1 0 353.507 2.340 20 30 FEEDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)C1 ZINC000329115536 553882923 /nfs/dbraw/zinc/88/29/23/553882923.db2.gz IFVCDPBXBCMQBN-YJYMSZOUSA-N 1 0 364.490 2.378 20 30 FEEDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCO[C@@]3(CCOC3)C2)C1 ZINC000329134902 553886776 /nfs/dbraw/zinc/88/67/76/553886776.db2.gz ZXRBCKNTCXWBRZ-LMMKCTJWSA-N 1 0 353.507 2.196 20 30 FEEDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCO[C@]3(CCOC3)C2)C1 ZINC000329134904 553886865 /nfs/dbraw/zinc/88/68/65/553886865.db2.gz ZXRBCKNTCXWBRZ-ZHALLVOQSA-N 1 0 353.507 2.196 20 30 FEEDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCOC[C@@H]1c1c(C)nn(C)c1C ZINC000329141127 553887902 /nfs/dbraw/zinc/88/79/02/553887902.db2.gz KAENQPLPTQWIMK-IAGOWNOFSA-N 1 0 363.506 2.199 20 30 FEEDRO Cc1noc([C@H](NC(=O)C[N@@H+](C)[C@H]2CCSC2)C2CCOCC2)n1 ZINC000329141433 553888041 /nfs/dbraw/zinc/88/80/41/553888041.db2.gz UHHYQQYCYVWYME-DZGCQCFKSA-N 1 0 354.476 2.240 20 30 FEEDRO COCc1cccc(CC(=O)NC2CC[NH+]([C@@H]3CCN(C)C3=O)CC2)c1 ZINC000329160711 553892322 /nfs/dbraw/zinc/89/23/22/553892322.db2.gz FIHNNBJCEXONBD-GOSISDBHSA-N 1 0 359.470 2.027 20 30 FEEDRO CN(C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C)C(=O)N[C@@H]1CCCOCC1 ZINC000329188809 553898730 /nfs/dbraw/zinc/89/87/30/553898730.db2.gz PLRZXQONXHLDLK-LZLYRXPVSA-N 1 0 363.506 2.218 20 30 FEEDRO C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)N1CCO[C@@H](Cn2cncn2)C1 ZINC000329189986 553898827 /nfs/dbraw/zinc/89/88/27/553898827.db2.gz RQSOTKFJMCFBPH-MVJVIOSPSA-N 1 0 373.501 2.293 20 30 FEEDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000329201881 553900848 /nfs/dbraw/zinc/90/08/48/553900848.db2.gz CAIMTPQTFLVNRP-DLBZAZTESA-N 1 0 365.522 2.045 20 30 FEEDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCO[C@]2(CCCOC2)C1 ZINC000329242188 553909542 /nfs/dbraw/zinc/90/95/42/553909542.db2.gz SEYLNUMAERYWIV-MJQMVNBJSA-N 1 0 353.507 2.148 20 30 FEEDRO C[C@@H]1c2nnc(C3CCCC3)n2CCN1C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000329246924 553909956 /nfs/dbraw/zinc/90/99/56/553909956.db2.gz AXIPEWCOVKQQCX-UKRRQHHQSA-N 1 0 358.490 2.463 20 30 FEEDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccc(C#N)cc2)C1 ZINC000506402246 561698048 /nfs/dbraw/zinc/69/80/48/561698048.db2.gz IMXRPHPKWBRCST-HNAYVOBHSA-N 1 0 362.433 2.448 20 30 FEEDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N2CCC[C@@H]2C[C@]2(C)NC(=O)NC2=O)C1 ZINC000329307707 553922505 /nfs/dbraw/zinc/92/25/05/553922505.db2.gz ZFUGWUPQXXJCPG-LWGWVAHUSA-N 1 0 365.478 2.271 20 30 FEEDRO CC(C)c1nnc2n1C[C@H]([NH+]=C([O-])N1CC[C@H]([NH+]3CCCC3)[C@H]1C)CC2 ZINC000329322857 553925527 /nfs/dbraw/zinc/92/55/27/553925527.db2.gz FOMMPSDPMXDJNE-OAGGEKHMSA-N 1 0 360.506 2.189 20 30 FEEDRO C[C@H](NC(=O)N1CC[C@H]([NH+]2CCCCC2)C1)C(=O)N1CCCC[C@H]1C ZINC000329339556 553928558 /nfs/dbraw/zinc/92/85/58/553928558.db2.gz ZCFZFLZWHUTJEV-IKGGRYGDSA-N 1 0 350.507 2.250 20 30 FEEDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N1CCC[C@@H]1[C@@H]1COCC[C@H]1O ZINC000329344769 553928931 /nfs/dbraw/zinc/92/89/31/553928931.db2.gz UJFJNIXZNHBVSL-XMTFNYHQSA-N 1 0 353.507 2.027 20 30 FEEDRO CC(C)CC(=O)N1CCC(NC(=O)NCC2(C)CC[NH+](C)CC2)CC1 ZINC000329351304 553929988 /nfs/dbraw/zinc/92/99/88/553929988.db2.gz UDQQDOFYNVFSCB-UHFFFAOYSA-N 1 0 352.523 2.259 20 30 FEEDRO CC(C)c1nc([C@H]2COCCN2C(=O)NC2CC[NH+](C3CC3)CC2)no1 ZINC000329358339 553931688 /nfs/dbraw/zinc/93/16/88/553931688.db2.gz XBLYXIXXTQMMCH-OAHLLOKOSA-N 1 0 363.462 2.107 20 30 FEEDRO CC[C@@H]1CN(C(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2ccnn2C)C[C@@H](C)O1 ZINC000329424841 553944546 /nfs/dbraw/zinc/94/45/46/553944546.db2.gz GDMPWMVCPVBQLG-KYHPRHEASA-N 1 0 363.506 2.216 20 30 FEEDRO NC(=O)c1ccc(NC(=O)CC[N@@H+]2CCN3CCOC[C@@H]3C2)cc1Cl ZINC000329434096 553946077 /nfs/dbraw/zinc/94/60/77/553946077.db2.gz LIELNFIEMVZEIK-ZDUSSCGKSA-N 1 0 366.849 2.218 20 30 FEEDRO O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000329431119 553946138 /nfs/dbraw/zinc/94/61/38/553946138.db2.gz KGEZPJZQBOQIJM-KURKYZTESA-N 1 0 361.490 2.229 20 30 FEEDRO C[C@H]1C[C@@H](C(=O)NC[C@@H]2CCCN(c3nccn4cnnc34)C2)CC[N@@H+]1C ZINC000329442651 553947794 /nfs/dbraw/zinc/94/77/94/553947794.db2.gz AQHDYVZBRYSJOI-JYJNAYRXSA-N 1 0 371.489 2.028 20 30 FEEDRO Cc1ccc(C(=O)C2CCN(C(=O)NC[C@H]3C[N@@H+](C)CCN3C)CC2)cc1 ZINC000329443006 553947879 /nfs/dbraw/zinc/94/78/79/553947879.db2.gz LIDSGVPATPXXGG-IBGZPJMESA-N 1 0 372.513 2.050 20 30 FEEDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CCC[C@H]2C(=O)NC[C@H]21 ZINC000329459385 553950857 /nfs/dbraw/zinc/95/08/57/553950857.db2.gz RKMVYIRWTFVWFQ-NRSFXHEJSA-N 1 0 356.470 2.472 20 30 FEEDRO CC(C)CNC(=O)N1CCC[C@H](CC(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)C1 ZINC000329471905 553953202 /nfs/dbraw/zinc/95/32/02/553953202.db2.gz ZWIWSSLIOOPZNI-SQNIBIBYSA-N 1 0 364.534 2.211 20 30 FEEDRO Cc1cc(C(=O)NC[C@]2([NH+](C)C)CCSC2)nn1-c1cccc(C#N)c1 ZINC000506727409 561706976 /nfs/dbraw/zinc/70/69/76/561706976.db2.gz YOYPQFQBOPQEBJ-LJQANCHMSA-N 1 0 369.494 2.220 20 30 FEEDRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(C)Cc2cnc(N(C)C)nc2)C1 ZINC000329496455 553957741 /nfs/dbraw/zinc/95/77/41/553957741.db2.gz JAQCRNOKEMGOON-HNNXBMFYSA-N 1 0 362.522 2.399 20 30 FEEDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCC[C@@H]2[C@@H]2COCC[C@@H]2O)C1 ZINC000329518382 553961103 /nfs/dbraw/zinc/96/11/03/553961103.db2.gz ZJVQAGXQZMHOMK-XDNAFOTISA-N 1 0 367.534 2.273 20 30 FEEDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)NCCc3ccc(-n4cccn4)cc3)[C@@H]2C1 ZINC000329590055 553972483 /nfs/dbraw/zinc/97/24/83/553972483.db2.gz ZNRVHDUFXMRCAT-IEBWSBKVSA-N 1 0 353.470 2.355 20 30 FEEDRO CC(=O)N[C@H](CC(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1)c1cccs1 ZINC000329608715 553975983 /nfs/dbraw/zinc/97/59/83/553975983.db2.gz CQSWSWQVTSRZMR-JKSUJKDBSA-N 1 0 365.499 2.336 20 30 FEEDRO O=C(CN1CCC2(C1)Oc1ccccc1O2)NC1CC[NH+](C2CC2)CC1 ZINC000329614846 553977213 /nfs/dbraw/zinc/97/72/13/553977213.db2.gz DBUVKTJVLRWWFG-UHFFFAOYSA-N 1 0 357.454 2.443 20 30 FEEDRO CC1(C)CN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)[C@@H]1[C@H]1CCCO1 ZINC000329660058 553983822 /nfs/dbraw/zinc/98/38/22/553983822.db2.gz NZJBTQXGHZBSNE-XMTFNYHQSA-N 1 0 365.518 2.168 20 30 FEEDRO CC[NH+]1CCC(NC(=O)CN2CCN(c3ncccc3Cl)CC2)CC1 ZINC000329668999 553985384 /nfs/dbraw/zinc/98/53/84/553985384.db2.gz MBWJKSQXGBMAOE-UHFFFAOYSA-N 1 0 365.909 2.298 20 30 FEEDRO C[NH+]1CCN(c2ncccc2CNC(=O)NC[C@@H]2CCCCS2)CC1 ZINC000329678270 553987163 /nfs/dbraw/zinc/98/71/63/553987163.db2.gz WYVCLRRCLIEJDG-INIZCTEOSA-N 1 0 363.531 2.123 20 30 FEEDRO CC(C)(C)[C@@H]1NC(=O)CC[C@H]1NC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000329690590 553989257 /nfs/dbraw/zinc/98/92/57/553989257.db2.gz BPHCCIGKLJGESV-BFYDXBDKSA-N 1 0 366.506 2.088 20 30 FEEDRO CCn1c(=O)[nH]c2cc(C(=O)N[C@@H](C)C3=CC[N@H+](C)CC3)ccc2c1=O ZINC000329715216 553994270 /nfs/dbraw/zinc/99/42/70/553994270.db2.gz URPXVSNWXSSIIF-LBPRGKRZSA-N 1 0 356.426 2.077 20 30 FEEDRO O=C(NC[C@H]1CCC[N@@H+]1CC1CCCCC1)N[C@H]1CCCS(=O)(=O)C1 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FEEDRO C[C@@H]1C[C@H](NC(=O)N2CCC(OC[C@H]3CCCCO3)CC2)CC[N@@H+]1C ZINC000330257978 554094615 /nfs/dbraw/zinc/09/46/15/554094615.db2.gz RAMBWVLPFHNGLD-JFIYKMOQSA-N 1 0 353.507 2.433 20 30 FEEDRO CC(C)N1C[C@H](NC(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)CC1=O ZINC000330264847 554095810 /nfs/dbraw/zinc/09/58/10/554095810.db2.gz YKFHTXMPBBTXAK-QZTJIDSGSA-N 1 0 358.486 2.336 20 30 FEEDRO C[C@@H]1C[C@H](NC(=O)N2CC[C@H](C(=O)N(C)c3ccccc3)C2)CC[N@@H+]1C ZINC000330291567 554100619 /nfs/dbraw/zinc/10/06/19/554100619.db2.gz GNSGOBHGZDBFBB-IXDOHACOSA-N 1 0 358.486 2.368 20 30 FEEDRO N#Cc1ncccc1S(=O)(=O)NC[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000330298759 554101641 /nfs/dbraw/zinc/10/16/41/554101641.db2.gz HPCKZWSLYDHKIR-MRXNPFEDSA-N 1 0 362.499 2.276 20 30 FEEDRO CCC[NH+]1CCC(CNC(=O)N[C@H]2CCO[C@@H]2c2cnn(C)c2C)CC1 ZINC000330339518 554107706 /nfs/dbraw/zinc/10/77/06/554107706.db2.gz WSVLHXHAVYTNFK-ZWKOTPCHSA-N 1 0 363.506 2.184 20 30 FEEDRO CCC[NH+]1CCC(NC(=O)N2CCc3c(nnn3-c3ccccc3)C2)CC1 ZINC000330349452 554109512 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WQSQOPQYRQHPOQ-DOTOQJQBSA-N 1 0 352.504 2.138 20 30 FEEDRO CC[NH+](CC)[C@@H](CNS(=O)(=O)N(C)[C@H](C)CC#N)c1ccccc1 ZINC000509433139 561799605 /nfs/dbraw/zinc/79/96/05/561799605.db2.gz WQSQOPQYRQHPOQ-WBVHZDCISA-N 1 0 352.504 2.138 20 30 FEEDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)CCC(=O)N(CCC#N)c1ccccc1 ZINC000509657101 561809403 /nfs/dbraw/zinc/80/94/03/561809403.db2.gz IJFSCRHJDIJESI-IAGOWNOFSA-N 1 0 356.470 2.264 20 30 FEEDRO N#Cc1cc(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)ccc1C(F)(F)F ZINC000332322170 554425088 /nfs/dbraw/zinc/42/50/88/554425088.db2.gz ZUFBUWNETWDOTJ-HUUCEWRRSA-N 1 0 373.400 2.482 20 30 FEEDRO C[NH+](C)C[C@@H](NC(=O)C(=O)Nc1ccc(F)c(C#N)c1)c1ccc(F)cc1 ZINC000510015144 561821961 /nfs/dbraw/zinc/82/19/61/561821961.db2.gz TXIFRCPSUGTQRE-QGZVFWFLSA-N 1 0 372.375 2.194 20 30 FEEDRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000332515841 554460521 /nfs/dbraw/zinc/46/05/21/554460521.db2.gz AAUGWZQQQMERRN-XJKSGUPXSA-N 1 0 361.877 2.041 20 30 FEEDRO N#Cc1cccc(C2(C(=O)NC3CC[NH+]([C@H]4CCCC[C@H]4O)CC3)CC2)c1 ZINC000332771640 554511972 /nfs/dbraw/zinc/51/19/72/554511972.db2.gz GPGGERSPSRUIOE-VQTJNVASSA-N 1 0 367.493 2.474 20 30 FEEDRO COc1ccc(C[N@@H+]2CCCN(C(=O)Nc3nn(C)cc3C#N)CC2)cc1 ZINC000610561510 554528516 /nfs/dbraw/zinc/52/85/16/554528516.db2.gz LTAWINKFHKNYAX-UHFFFAOYSA-N 1 0 368.441 2.040 20 30 FEEDRO Cn1cc(C#N)c(=NC(=O)NCC2CC[NH+](Cc3cccs3)CC2)[nH]1 ZINC000610565274 554530716 /nfs/dbraw/zinc/53/07/16/554530716.db2.gz YJQLNQWEAPNABP-UHFFFAOYSA-N 1 0 358.471 2.387 20 30 FEEDRO COc1ccc(C#N)cc1NC(=O)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000333199528 554587632 /nfs/dbraw/zinc/58/76/32/554587632.db2.gz XGJXBZBIKVNBTK-QAPCUYQASA-N 1 0 358.442 2.317 20 30 FEEDRO COc1ccc(C#N)cc1NC(=O)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000333199526 554587895 /nfs/dbraw/zinc/58/78/95/554587895.db2.gz XGJXBZBIKVNBTK-CRAIPNDOSA-N 1 0 358.442 2.317 20 30 FEEDRO C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)N1CCC(F)(C#N)CC1 ZINC000510936414 561851524 /nfs/dbraw/zinc/85/15/24/561851524.db2.gz PFUMOKLNCFJWML-AEFFLSMTSA-N 1 0 358.461 2.093 20 30 FEEDRO C=CCOC[C@H]1NC(=O)N(C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1=O ZINC000348573144 554689020 /nfs/dbraw/zinc/68/90/20/554689020.db2.gz NAUSSXFCJHIFRR-ZZJWQFMZSA-N 1 0 369.465 2.305 20 30 FEEDRO C=CCNC(=O)Cc1noc([C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)n1 ZINC000350727130 554810198 /nfs/dbraw/zinc/81/01/98/554810198.db2.gz SESFMBSAYCVAOD-HNNXBMFYSA-N 1 0 358.417 2.433 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1c1nc(-c2ccc(N3CC[NH+](CC)CC3)nc2)no1 ZINC000351110175 554837546 /nfs/dbraw/zinc/83/75/46/554837546.db2.gz MLZDSUJVPXSOQL-CVEARBPZSA-N 1 0 355.442 2.332 20 30 FEEDRO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3CC[C@]4(CC[C@@H](C)C4)C3)CC2)o1 ZINC000360682891 554885265 /nfs/dbraw/zinc/88/52/65/554885265.db2.gz WSJYFKPWUZVCGP-QRWLVFNGSA-N 1 0 371.485 2.015 20 30 FEEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000361288073 554914898 /nfs/dbraw/zinc/91/48/98/554914898.db2.gz OEIPWMBDCFFWLL-OALUTQOASA-N 1 0 354.454 2.119 20 30 FEEDRO CS(=O)(=O)N1CCC[C@@H](C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)C1 ZINC000362107618 554950712 /nfs/dbraw/zinc/95/07/12/554950712.db2.gz XBZJQPRQKKONIF-KRWDZBQOSA-N 1 0 359.495 2.319 20 30 FEEDRO C[NH+](C)C[C@@H]1CN(CC(=O)Nc2sccc2C#N)c2ccccc2O1 ZINC000362163390 554953798 /nfs/dbraw/zinc/95/37/98/554953798.db2.gz SIXVKUAQJQWEPT-CQSZACIVSA-N 1 0 356.451 2.387 20 30 FEEDRO CC1CC[NH+](CCNC(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)CC1 ZINC000362712182 554983040 /nfs/dbraw/zinc/98/30/40/554983040.db2.gz VFSUFALMLIWZBH-LJQANCHMSA-N 1 0 356.470 2.373 20 30 FEEDRO N#CCCn1cc(CNC[C@H]2C[N@@H+]3CCC[C@H]3CO2)c(-c2ccccc2)n1 ZINC000362719978 554983420 /nfs/dbraw/zinc/98/34/20/554983420.db2.gz QSEXEWYMBLTIPS-PMACEKPBSA-N 1 0 365.481 2.417 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@H](N3CCCCC3=O)C2)CC1 ZINC000362743132 554985919 /nfs/dbraw/zinc/98/59/19/554985919.db2.gz ZOLBJMQKKCDHJL-SFHVURJKSA-N 1 0 362.518 2.213 20 30 FEEDRO N#Cc1cccnc1N1CCC[N@@H+](C[C@@H](O)COc2ccc(F)cc2)CC1 ZINC000363077039 555025366 /nfs/dbraw/zinc/02/53/66/555025366.db2.gz FGPDCIJSNOTNFR-GOSISDBHSA-N 1 0 370.428 2.044 20 30 FEEDRO C=CCn1c(C)cc(C(=O)CN2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)c1C ZINC000363219852 555057191 /nfs/dbraw/zinc/05/71/91/555057191.db2.gz WNCOQOVRPSUOMG-LJQANCHMSA-N 1 0 358.530 2.185 20 30 FEEDRO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@H](C(=O)N2CCCCCC2)C1 ZINC000363481377 555116634 /nfs/dbraw/zinc/11/66/34/555116634.db2.gz IWPXWNBCNMUBOL-FXAWDEMLSA-N 1 0 362.518 2.155 20 30 FEEDRO CN(C(=O)Cc1ccc(OCC#N)cc1)C1CC[NH+](C2CCOCC2)CC1 ZINC000363516915 555125437 /nfs/dbraw/zinc/12/54/37/555125437.db2.gz XZHYXOHWEXNGRB-UHFFFAOYSA-N 1 0 371.481 2.233 20 30 FEEDRO C[C@@H](C#N)Oc1ccc(C[NH2+][C@@H]2CCN(C(=O)c3ccncc3)C2)cc1 ZINC000363854975 555200105 /nfs/dbraw/zinc/20/01/05/555200105.db2.gz HTJIBGVLANMFHN-MAUKXSAKSA-N 1 0 350.422 2.377 20 30 FEEDRO C#CCOc1ccc(C[NH2+][C@@H]2CCCN(Cc3ccnc(C)n3)C2=O)cc1 ZINC000363979836 555226403 /nfs/dbraw/zinc/22/64/03/555226403.db2.gz UKOYAWSVOHVFMN-HXUWFJFHSA-N 1 0 364.449 2.078 20 30 FEEDRO C#CCn1ccc(CN(CC)C(=O)[C@]2([NH+](C)C)CCc3ccccc32)n1 ZINC000364445751 555315857 /nfs/dbraw/zinc/31/58/57/555315857.db2.gz GWMRYVHXOYJXGR-NRFANRHFSA-N 1 0 350.466 2.268 20 30 FEEDRO C=CCc1ccccc1OC[C@H](O)CN1C[C@@H](CC)[S@](=O)[C@@H](C)C1 ZINC000512438162 561904881 /nfs/dbraw/zinc/90/48/81/561904881.db2.gz APJMYLMBKHSUPD-YQCHORPJSA-N 1 0 351.512 2.386 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)[C@H]2CCCN(C(=O)c3cccs3)C2)CC1 ZINC000364736646 555389486 /nfs/dbraw/zinc/38/94/86/555389486.db2.gz LXCRIIHASUEZND-HNNXBMFYSA-N 1 0 361.511 2.367 20 30 FEEDRO N#Cc1ncn(CC[NH2+]Cc2nc(-c3cccc(Br)c3)c[nH]2)n1 ZINC000512893226 561919039 /nfs/dbraw/zinc/91/90/39/561919039.db2.gz BQQHDLDPTJXKEZ-UHFFFAOYSA-N 1 0 372.230 2.092 20 30 FEEDRO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3ccccc3)no2)C1 ZINC000365180748 555503401 /nfs/dbraw/zinc/50/34/01/555503401.db2.gz ULKAQPXVURAYLN-QLVMHMETSA-N 1 0 364.449 2.228 20 30 FEEDRO CCCCCCCCNC(=[NH2+])NC[C@H]1CCC[C@@]12NC(=O)N(C)C2=O ZINC000365691272 555642060 /nfs/dbraw/zinc/64/20/60/555642060.db2.gz JJPYYWBQGBXFQC-RDTXWAMCSA-N 1 0 351.495 2.181 20 30 FEEDRO Cc1ccc(C#N)c(N2CCC[C@H](C(=O)NCCC3CC[NH+](C)CC3)C2)n1 ZINC000365763475 555661923 /nfs/dbraw/zinc/66/19/23/555661923.db2.gz CYSRGXGJGPJCJX-IBGZPJMESA-N 1 0 369.513 2.326 20 30 FEEDRO C[C@@H](NC(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1)C(C)(C)C[NH+](C)C ZINC000366164178 555769709 /nfs/dbraw/zinc/76/97/09/555769709.db2.gz WJFUFFKKRWVIRI-GDBMZVCRSA-N 1 0 359.474 2.092 20 30 FEEDRO C[NH+](C)C[C@H]1CN(S(=O)(=O)Cc2cccc(C#N)c2)c2ccccc2O1 ZINC000366185219 555775349 /nfs/dbraw/zinc/77/53/49/555775349.db2.gz ZOLFMWLAFWUMQM-KRWDZBQOSA-N 1 0 371.462 2.217 20 30 FEEDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)CSc1ccc(C#N)cc1 ZINC000366437867 555843835 /nfs/dbraw/zinc/84/38/35/555843835.db2.gz LUSSENYOPLNUQP-NXHRZFHOSA-N 1 0 359.495 2.360 20 30 FEEDRO CS(=O)(=O)c1ccc(CN2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1 ZINC000366446940 555846176 /nfs/dbraw/zinc/84/61/76/555846176.db2.gz YIZKZMNYGGVWEW-MRXNPFEDSA-N 1 0 357.435 2.010 20 30 FEEDRO C=CCN(C(=O)c1n[nH]cc1[N+](=O)[O-])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000367201913 556003517 /nfs/dbraw/zinc/00/35/17/556003517.db2.gz SCZLTUMNAYRACQ-HNNXBMFYSA-N 1 0 355.398 2.221 20 30 FEEDRO CN(C)CC[N@H+](C)CCCN(C)C(=O)[C@]1(C#N)CCc2ccccc2C1 ZINC000367298232 556011708 /nfs/dbraw/zinc/01/17/08/556011708.db2.gz BRHNVLQFSVRWDY-OAQYLSRUSA-N 1 0 356.514 2.027 20 30 FEEDRO CN(CC(=O)Nc1ccc(C#N)cc1)C1CC[NH+](Cc2ccncc2)CC1 ZINC000367395958 556037200 /nfs/dbraw/zinc/03/72/00/556037200.db2.gz FEEVRHHTRGDIBG-UHFFFAOYSA-N 1 0 363.465 2.488 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)CC1 ZINC000367626698 556100338 /nfs/dbraw/zinc/10/03/38/556100338.db2.gz DQOLSSIGCWHMLU-KRWDZBQOSA-N 1 0 368.456 2.128 20 30 FEEDRO Cc1cc(S(=O)(=O)N2C[C@@H]([NH3+])[C@@H](c3ccc(F)cc3)C2)ccc1C#N ZINC000367686064 556114111 /nfs/dbraw/zinc/11/41/11/556114111.db2.gz IMWNVFJPHYQQTD-QZTJIDSGSA-N 1 0 359.426 2.121 20 30 FEEDRO N#Cc1cc(S(=O)(=O)N2CC[C@]3(CCC[C@@H]3[NH3+])C2)ccc1C(F)(F)F ZINC000367702414 556118587 /nfs/dbraw/zinc/11/85/87/556118587.db2.gz CNDLOYIMRGMWGH-LSDHHAIUSA-N 1 0 373.400 2.469 20 30 FEEDRO CC1(C#N)CCN(C(=O)NC2CC[NH+](CCc3ccncc3)CC2)CC1 ZINC000367935170 556176828 /nfs/dbraw/zinc/17/68/28/556176828.db2.gz VZFWNWSHLGZGRR-UHFFFAOYSA-N 1 0 355.486 2.424 20 30 FEEDRO CS(=O)(=O)C[C@H]1CCN(Cc2cc(C#N)ccc2Br)C1 ZINC000368354871 556286374 /nfs/dbraw/zinc/28/63/74/556286374.db2.gz LUZKCQDWMSYTSR-LBPRGKRZSA-N 1 0 357.273 2.187 20 30 FEEDRO CCCCCCCS(=O)(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000369105881 556506655 /nfs/dbraw/zinc/50/66/55/556506655.db2.gz BRWHBDSJFGDXSH-QZTJIDSGSA-N 1 0 359.580 2.244 20 30 FEEDRO C[C@H](Oc1ccccc1C#N)C(=O)Nc1c[nH+]ccc1N1CCN(C)CC1 ZINC000516207621 562036004 /nfs/dbraw/zinc/03/60/04/562036004.db2.gz HCGSDSUCOKUXKW-HNNXBMFYSA-N 1 0 365.437 2.111 20 30 FEEDRO COC(=O)[C@H]1C[C@H]([NH2+]Cc2cccc(C#N)c2)CN1C(=O)OC(C)(C)C ZINC000369609698 556646718 /nfs/dbraw/zinc/64/67/18/556646718.db2.gz RYIIITVAGBPYHL-JKSUJKDBSA-N 1 0 359.426 2.199 20 30 FEEDRO C[C@H](CCO)C1(C[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)CCC1 ZINC000516291099 562038830 /nfs/dbraw/zinc/03/88/30/562038830.db2.gz IJWGLCIWRCZBPZ-OAHLLOKOSA-N 1 0 350.484 2.110 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC(CN3CCCC3=O)CC2)CC1 ZINC000369742823 556682783 /nfs/dbraw/zinc/68/27/83/556682783.db2.gz VJDPLSACDNAOPU-UHFFFAOYSA-N 1 0 362.518 2.071 20 30 FEEDRO Cc1nc(C)n(C[C@H]2CCC[N@@H+]2CCC(=O)Nc2sccc2C#N)n1 ZINC000369784587 556693746 /nfs/dbraw/zinc/69/37/46/556693746.db2.gz PEQXZTLXOZNPNZ-OAHLLOKOSA-N 1 0 358.471 2.321 20 30 FEEDRO CC[NH+](CC)[C@@H]1CCN(C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)C1 ZINC000369998937 556753645 /nfs/dbraw/zinc/75/36/45/556753645.db2.gz QBSLNUKWVWQDSZ-OAHLLOKOSA-N 1 0 370.432 2.831 20 30 FEEDRO Cn1cc(C[C@H]2CC[N@H+](CC(=O)Nc3ccc(C#N)c(Cl)c3)C2)cn1 ZINC000370010452 556757213 /nfs/dbraw/zinc/75/72/13/556757213.db2.gz MOJCLBPNNGHXSU-CYBMUJFWSA-N 1 0 357.845 2.448 20 30 FEEDRO CN(CCC#N)C[C@@H](O)C[NH2+][C@@H]1C[C@H]1c1ccc(Br)c(F)c1 ZINC000516645999 562052382 /nfs/dbraw/zinc/05/23/82/562052382.db2.gz ZXCOBBYZJSWIPU-HEHGZKQESA-N 1 0 370.266 2.240 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NC1CC[NH+](CCc2ccncc2)CC1 ZINC000370463089 556879544 /nfs/dbraw/zinc/87/95/44/556879544.db2.gz RKCFFQCAVVVYTJ-ICSRJNTNSA-N 1 0 372.513 2.369 20 30 FEEDRO CC(C)n1nccc1NC(=O)[C@H](C)N1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000370738214 556953888 /nfs/dbraw/zinc/95/38/88/556953888.db2.gz JPZFOGONFHKTLA-HOCLYGCPSA-N 1 0 368.441 2.211 20 30 FEEDRO CN(C(=O)/C=C/c1ccccc1C#N)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000370830053 556983065 /nfs/dbraw/zinc/98/30/65/556983065.db2.gz KUGSSCXSXNQVMH-DUIUGDAFSA-N 1 0 352.482 2.198 20 30 FEEDRO Cc1cn2c(n1)[C@H](CNC(=O)C(=O)Nc1cccc(C)c1C#N)CCC2 ZINC000370933795 557022016 /nfs/dbraw/zinc/02/20/16/557022016.db2.gz WMOBPJOTGCPRPS-AWEZNQCLSA-N 1 0 351.410 2.004 20 30 FEEDRO C[NH+]1CCC(Oc2cc(NC(=O)COc3ccccc3C#N)ccn2)CC1 ZINC000371423770 557182504 /nfs/dbraw/zinc/18/25/04/557182504.db2.gz KVXRBRNFRFMDJZ-UHFFFAOYSA-N 1 0 366.421 2.444 20 30 FEEDRO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3CC[C@H](C)C4(CCC4)C3)CC2)o1 ZINC000371440564 557188055 /nfs/dbraw/zinc/18/80/55/557188055.db2.gz RZZXFOOZWUPDTK-HNNXBMFYSA-N 1 0 371.485 2.015 20 30 FEEDRO N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](Cc3nnc4ccccn43)C2)cc1 ZINC000372048650 557366672 /nfs/dbraw/zinc/36/66/72/557366672.db2.gz KTJLELQWYKXKEL-KRWDZBQOSA-N 1 0 374.448 2.494 20 30 FEEDRO CC(=O)Nc1ccc(CC[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000518758094 562117688 /nfs/dbraw/zinc/11/76/88/562117688.db2.gz RKDIGKFNYQMNAJ-UHFFFAOYSA-N 1 0 371.462 2.123 20 30 FEEDRO N#Cc1cnn2cc(C[NH2+]CCc3nc(C(F)(F)F)cs3)cnc12 ZINC000518534551 562113883 /nfs/dbraw/zinc/11/38/83/562113883.db2.gz JCKBMYHPGGGESI-UHFFFAOYSA-N 1 0 352.345 2.409 20 30 FEEDRO C[C@@H]1C[C@@H](NC(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)C[N@@H+]1C1CC1 ZINC000372348830 557447380 /nfs/dbraw/zinc/44/73/80/557447380.db2.gz YHTNVFWTEFOCEM-BJZITVGISA-N 1 0 354.454 2.266 20 30 FEEDRO C[C@H]1CN(C(=O)Nc2ccc(F)c(C#N)c2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000372353634 557448290 /nfs/dbraw/zinc/44/82/90/557448290.db2.gz AYQNEBSMZQUARZ-KSSFIOAISA-N 1 0 359.449 2.187 20 30 FEEDRO N#Cc1ccccc1Cn1cccc1CN1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000372462705 557477625 /nfs/dbraw/zinc/47/76/25/557477625.db2.gz IRSHHPHPDITEHY-VXKWHMMOSA-N 1 0 364.493 2.439 20 30 FEEDRO N#Cc1ccc(C(=O)NCC(=O)N2CCC[C@H]2C[NH+]2CCCCCC2)cc1 ZINC000372572822 557508936 /nfs/dbraw/zinc/50/89/36/557508936.db2.gz RAOSIFPWYABJMZ-IBGZPJMESA-N 1 0 368.481 2.155 20 30 FEEDRO N#CC1(NC(=O)C[NH+]2CCC(CN3CCc4ccccc43)CC2)CCC1 ZINC000372614479 557521650 /nfs/dbraw/zinc/52/16/50/557521650.db2.gz UGGHUMAQOGGNLU-UHFFFAOYSA-N 1 0 352.482 2.324 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N[C@H](c2ccn(C)n2)c2ccc(F)cc2)CC1 ZINC000373151803 557639025 /nfs/dbraw/zinc/63/90/25/557639025.db2.gz JKBRMJZIJNXADA-IBGZPJMESA-N 1 0 354.429 2.110 20 30 FEEDRO COc1cccc(C(=O)NCC[NH2+][C@@H]2CCC[C@@H]3O[C@@H](CC#N)C[C@H]32)c1 ZINC000373228496 557653712 /nfs/dbraw/zinc/65/37/12/557653712.db2.gz NUEFXKUWEMOJBT-OKYOBFRVSA-N 1 0 357.454 2.254 20 30 FEEDRO C[NH+]1CCC(n2ccc(=NC(=O)/C=C/c3ccc(OCC#N)cc3)[nH]2)CC1 ZINC000373237377 557655889 /nfs/dbraw/zinc/65/58/89/557655889.db2.gz QIOWCMIFCYGTIT-QPJJXVBHSA-N 1 0 365.437 2.704 20 30 FEEDRO C[NH+](C)[C@H]1CN(C(=O)c2ccc(Sc3ccccc3C#N)cc2)C[C@@H]1O ZINC000520251348 562151837 /nfs/dbraw/zinc/15/18/37/562151837.db2.gz BESSKVCWFGJRNC-ROUUACIJSA-N 1 0 367.474 2.456 20 30 FEEDRO COC(=O)c1ccc(N2CC[N@H+](C)[C@@H](Cc3ccccc3)C2)c(C#N)n1 ZINC000520254476 562152026 /nfs/dbraw/zinc/15/20/26/562152026.db2.gz ZALSJGDPMRDOIQ-INIZCTEOSA-N 1 0 350.422 2.103 20 30 FEEDRO N#Cc1ccccc1NC(=O)CC[N@@H+]1CC[C@]2(C1)C(=O)Nc1ccccc12 ZINC000373527974 557711578 /nfs/dbraw/zinc/71/15/78/557711578.db2.gz QYCKKYGMJMLFDK-OAQYLSRUSA-N 1 0 360.417 2.483 20 30 FEEDRO N#CCCN(CCC#N)C(=O)CN1CCC[N@H+](CC2CCCCC2)CC1 ZINC000373946782 557793312 /nfs/dbraw/zinc/79/33/12/557793312.db2.gz IMCUZDNDFHIUCT-UHFFFAOYSA-N 1 0 359.518 2.230 20 30 FEEDRO CC(C)CCOCCNC(=O)CN1CCC(C#N)(c2ccccn2)CC1 ZINC000374291967 557859163 /nfs/dbraw/zinc/85/91/63/557859163.db2.gz MBIYZMHCCRGYNR-UHFFFAOYSA-N 1 0 358.486 2.118 20 30 FEEDRO C[C@H](C(=O)N1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O)[NH+]1CCCCCC1 ZINC000374385313 557876433 /nfs/dbraw/zinc/87/64/33/557876433.db2.gz KWPYUHQBKZIUNZ-VWKPWSFCSA-N 1 0 366.465 2.123 20 30 FEEDRO CCN(C[C@H](C)C#N)S(=O)(=O)N1CCC[C@H]([NH+]2CCCCCC2)C1 ZINC000374455607 557886409 /nfs/dbraw/zinc/88/64/09/557886409.db2.gz BLTDQXMKRPCBQC-SJORKVTESA-N 1 0 356.536 2.053 20 30 FEEDRO N#Cc1ccsc1NC(=O)CC[N@H+]1CCC[C@H](c2ccnc(N)n2)C1 ZINC000374580517 557902387 /nfs/dbraw/zinc/90/23/87/557902387.db2.gz QUVQXIODSIEAEF-ZDUSSCGKSA-N 1 0 356.455 2.200 20 30 FEEDRO C[C@H](CC#N)N(C)S(=O)(=O)N1CC[N@H+](Cc2ccccc2)CC[C@@H]1C ZINC000374592015 557903715 /nfs/dbraw/zinc/90/37/15/557903715.db2.gz IOBDKCWCPJNADM-SJORKVTESA-N 1 0 364.515 2.062 20 30 FEEDRO C[C@@H](NC(=O)N1CCCN(c2ccc(C#N)cc2)CC1)C1=CC[N@H+](C)CC1 ZINC000374735075 557923022 /nfs/dbraw/zinc/92/30/22/557923022.db2.gz PAWXSVKLWBVWLQ-QGZVFWFLSA-N 1 0 367.497 2.430 20 30 FEEDRO C=C[C@H](CC(=O)N1CCC(O)(C[NH+]2CCOCC2)CC1)c1ccccc1 ZINC000374953041 557955855 /nfs/dbraw/zinc/95/58/55/557955855.db2.gz MHKVLVARKUOWSM-GOSISDBHSA-N 1 0 358.482 2.032 20 30 FEEDRO N#Cc1ccc(N2CCC[C@H](NC(=O)N3CC[NH+]4CCC3CC4)C2)c(F)c1 ZINC000375221228 557994081 /nfs/dbraw/zinc/99/40/81/557994081.db2.gz XYWACDDJROILOK-INIZCTEOSA-N 1 0 371.460 2.156 20 30 FEEDRO N#C[C@H]1C[N@@H+](CC2CCC3(CC2)OCCO3)C[C@@]12C(=O)Nc1ccccc12 ZINC000375434412 558026581 /nfs/dbraw/zinc/02/65/81/558026581.db2.gz DQONFRDZCMVUOH-HRAATJIYSA-N 1 0 367.449 2.265 20 30 FEEDRO Cn1cc([C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C(=O)NCCCCC#N)cn1 ZINC000375477777 558034660 /nfs/dbraw/zinc/03/46/60/558034660.db2.gz FYDRVPMKIXNBCL-UXHICEINSA-N 1 0 365.481 2.446 20 30 FEEDRO CC(C)[NH+]1CCN([C@@H]2CCN(Cc3cn4ccccc4c3C#N)C2)CC1 ZINC000375907075 558097499 /nfs/dbraw/zinc/09/74/99/558097499.db2.gz RBVQHKZEGORMPJ-LJQANCHMSA-N 1 0 351.498 2.411 20 30 FEEDRO Cc1ccc(N2CCC[C@H]([NH+]3CCC(n4cnc(C#N)n4)CC3)C2=O)cc1 ZINC000375922184 558099961 /nfs/dbraw/zinc/09/99/61/558099961.db2.gz VEINRZUNIOBBSL-SFHVURJKSA-N 1 0 364.453 2.291 20 30 FEEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000375988730 558110474 /nfs/dbraw/zinc/11/04/74/558110474.db2.gz GOQDRKFYBFFTRL-LJQANCHMSA-N 1 0 364.449 2.212 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N2C[C@H](C)O[C@@]3(CCO[C@@H](C)C3)C2)CC1 ZINC000376112088 558128477 /nfs/dbraw/zinc/12/84/77/558128477.db2.gz JNPXXNUEKMWLNZ-TXPKVOOTSA-N 1 0 351.491 2.005 20 30 FEEDRO C[N@H+](C[C@H]1CC12CCN(C(=O)C(=O)Nc1ccc(C#N)cc1)CC2)C1CC1 ZINC000376210381 558141354 /nfs/dbraw/zinc/14/13/54/558141354.db2.gz JZSLRNWDCUMGDS-MRXNPFEDSA-N 1 0 366.465 2.220 20 30 FEEDRO CC(C)[NH+]1CCN([C@H]2CCN(C(=O)NCC3CCC(C#N)CC3)C2)CC1 ZINC000376383764 558166260 /nfs/dbraw/zinc/16/62/60/558166260.db2.gz IEJQPFIUEYHBOR-ACBHZAAOSA-N 1 0 361.534 2.126 20 30 FEEDRO C=CCOc1ccc(CNC(=O)N=c2ccn(C3CC[NH+](C)CC3)[nH]2)cc1 ZINC000376614734 558198209 /nfs/dbraw/zinc/19/82/09/558198209.db2.gz RAPIGAQONSGUHU-UHFFFAOYSA-N 1 0 369.469 3.036 20 30 FEEDRO Cn1cc([C@@H]2[C@H](CNC(=O)NCC(C)(C)CCC#N)CCC[N@@H+]2C)cn1 ZINC000376672401 558206355 /nfs/dbraw/zinc/20/63/55/558206355.db2.gz MOGHNDKKDZVHBS-RDJZCZTQSA-N 1 0 360.506 2.432 20 30 FEEDRO N#Cc1ccccc1N1CCC[C@@H](NC(=O)N2CC[NH+]3CCC2CC3)C1 ZINC000376747145 558216446 /nfs/dbraw/zinc/21/64/46/558216446.db2.gz FUNLJNMPVVNTDV-QGZVFWFLSA-N 1 0 353.470 2.017 20 30 FEEDRO CC[NH+](CC)CCO[C@H]1CCN([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000376783800 558221134 /nfs/dbraw/zinc/22/11/34/558221134.db2.gz ZKJHYPJKTRAGNU-VQTJNVASSA-N 1 0 370.497 2.096 20 30 FEEDRO C=CCOc1ccc(CNC(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)cc1 ZINC000377194291 558285630 /nfs/dbraw/zinc/28/56/30/558285630.db2.gz DKRHWIOEHQUXAK-IBGZPJMESA-N 1 0 372.513 2.173 20 30 FEEDRO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[NH2+][C@@H]2CCC(=O)N[C@H]2C2CC2)cc1 ZINC000377400559 558333628 /nfs/dbraw/zinc/33/36/28/558333628.db2.gz QEJRDWURJKACEN-CVAIRZPRSA-N 1 0 368.481 2.277 20 30 FEEDRO Cn1cc(-c2ncc(CN3CCN(c4ccccc4C#N)CC3)cn2)cn1 ZINC000377428695 558338605 /nfs/dbraw/zinc/33/86/05/558338605.db2.gz LVCVZMKHNCWLJP-UHFFFAOYSA-N 1 0 359.437 2.071 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCCN(C(=O)CC)CC1)C(C)C ZINC000377443709 558342006 /nfs/dbraw/zinc/34/20/06/558342006.db2.gz TZSWNSKYEDEMBW-GOSISDBHSA-N 1 0 364.534 2.339 20 30 FEEDRO CN1CC[C@H]([NH2+]C[C@@H](O)COc2ccc(C#N)cc2)[C@@H]1c1ccc(F)cc1 ZINC000377644496 558384862 /nfs/dbraw/zinc/38/48/62/558384862.db2.gz FNFCGUMNMPVGFD-GIVPXCGWSA-N 1 0 369.440 2.472 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H]2CCCN(c3cccc(F)c3)C2=O)CC1 ZINC000377689793 558397783 /nfs/dbraw/zinc/39/77/83/558397783.db2.gz YJVXBMBSNXGXSH-GOSISDBHSA-N 1 0 374.460 2.271 20 30 FEEDRO COCCC[N@H+](C)CCNC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000377881076 558440993 /nfs/dbraw/zinc/44/09/93/558440993.db2.gz USDBDFDFQSXYJI-RBUKOAKNSA-N 1 0 358.486 2.436 20 30 FEEDRO C=CCCO[C@H](C)C(=O)Nc1ccccc1C[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000522890149 562205595 /nfs/dbraw/zinc/20/55/95/562205595.db2.gz OKECFUJCTIVSFT-WBVHZDCISA-N 1 0 359.470 2.304 20 30 FEEDRO COc1ccc(C[N@H+](C)C2CCN(CC(=O)N3CCCC3)CC2)cc1C#N ZINC000378246149 558510365 /nfs/dbraw/zinc/51/03/65/558510365.db2.gz GJEOQWWIQDZNKX-UHFFFAOYSA-N 1 0 370.497 2.085 20 30 FEEDRO C=C(C)CN(CC)C(=O)[C@H](C)N1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000378296933 558522757 /nfs/dbraw/zinc/52/27/57/558522757.db2.gz ZZRBBSDNRVGLCX-GCKMJXCFSA-N 1 0 366.465 2.145 20 30 FEEDRO C[C@@H](CCNS(=O)(=O)c1cccnc1C#N)[N@H+](C)Cc1ccccc1 ZINC000379691439 558602730 /nfs/dbraw/zinc/60/27/30/558602730.db2.gz DNJIEWSDUMEYBQ-HNNXBMFYSA-N 1 0 358.467 2.142 20 30 FEEDRO Cc1ncc(S(=O)(=O)NC[C@@H](C)[N@H+](C)Cc2ccccc2)cc1C#N ZINC000390767724 558612216 /nfs/dbraw/zinc/61/22/16/558612216.db2.gz SIBLQYMHTBUOME-CQSZACIVSA-N 1 0 358.467 2.061 20 30 FEEDRO CCN(C[C@H](C)C#N)S(=O)(=O)N1CCC[C@H]([NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC000407955578 558633246 /nfs/dbraw/zinc/63/32/46/558633246.db2.gz RTXGDWANAVWORL-QZWWFDLISA-N 1 0 356.536 2.050 20 30 FEEDRO C[N@@H+]1CCO[C@H]2CN(c3nc4c(c(C#N)c3C#N)CCCCCC4)C[C@@H]21 ZINC000408332653 558667438 /nfs/dbraw/zinc/66/74/38/558667438.db2.gz YDNHNFFCMYFFIX-OALUTQOASA-N 1 0 351.454 2.003 20 30 FEEDRO C[C@H](C(=O)Nc1ccc(OCC[N@@H+]2CC[C@H](C)C2)cc1)n1cnc(C#N)n1 ZINC000409777062 558719459 /nfs/dbraw/zinc/71/94/59/558719459.db2.gz YFZSJARLZQRMBT-LSDHHAIUSA-N 1 0 368.441 2.070 20 30 FEEDRO CC(C)(C)CC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCC(C#N)CC2)CC1 ZINC000410433471 558757757 /nfs/dbraw/zinc/75/77/57/558757757.db2.gz LOAQMSQRDXYZBB-UHFFFAOYSA-N 1 0 362.518 2.108 20 30 FEEDRO C[C@@H]1CCCN1C(=O)CC[N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000525270805 562244633 /nfs/dbraw/zinc/24/46/33/562244633.db2.gz FIBKDQFCGBMPOA-GOSISDBHSA-N 1 0 354.498 2.467 20 30 FEEDRO Cc1cc(NC(=O)C(=O)NCc2ccc(C#N)c(F)c2)ccc1C[NH+](C)C ZINC000411590788 558924966 /nfs/dbraw/zinc/92/49/66/558924966.db2.gz QEJKBFBGCSIHJD-UHFFFAOYSA-N 1 0 368.412 2.322 20 30 FEEDRO N#Cc1cccc(NC(=O)CC[NH2+][C@]2(CO)CCOc3ccccc32)c1 ZINC000411672794 558940567 /nfs/dbraw/zinc/94/05/67/558940567.db2.gz JSLHAFCKAVHUKQ-FQEVSTJZSA-N 1 0 351.406 2.147 20 30 FEEDRO Cc1cc(NC(=O)C(=O)Nc2sccc2C#N)ccc1OCC[NH+](C)C ZINC000411680219 558942477 /nfs/dbraw/zinc/94/24/77/558942477.db2.gz XHZRZGUNKMRZOQ-UHFFFAOYSA-N 1 0 372.450 2.446 20 30 FEEDRO CC[C@H]1Oc2cc([C@H](C)[NH2+]CC(=O)NC3(C#N)CCC3)ccc2NC1=O ZINC000525885984 562258527 /nfs/dbraw/zinc/25/85/27/562258527.db2.gz ZVJALOAFFFUZRZ-SWLSCSKDSA-N 1 0 356.426 2.009 20 30 FEEDRO COc1cc(C#N)ccc1OCC[N@@H+]1C[C@H](C(N)=O)[C@@H](c2ccccc2)C1 ZINC000411965494 558996245 /nfs/dbraw/zinc/99/62/45/558996245.db2.gz ADDSAAHXHOQBNZ-MSOLQXFVSA-N 1 0 365.433 2.147 20 30 FEEDRO C=CC[C@@H](Cc1ccccc1)NC(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000413311907 559097897 /nfs/dbraw/zinc/09/78/97/559097897.db2.gz JICPUAQHFGASAZ-ICSRJNTNSA-N 1 0 358.530 2.357 20 30 FEEDRO CC(C)N(CCC#N)C(=O)C(=O)Nc1cccc(CC[N@H+](C)C2CC2)c1 ZINC000526112034 562267299 /nfs/dbraw/zinc/26/72/99/562267299.db2.gz VKNWTQJHFBELCZ-UHFFFAOYSA-N 1 0 356.470 2.412 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1NC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1OCC ZINC000413592127 559118923 /nfs/dbraw/zinc/11/89/23/559118923.db2.gz JSTPKFZRRRQXIY-YSTOQKLRSA-N 1 0 373.497 2.166 20 30 FEEDRO C=CC[C@@H](C)NC(=O)NCc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000413841855 559134271 /nfs/dbraw/zinc/13/42/71/559134271.db2.gz YLCGXBRPVCNEHU-OAHLLOKOSA-N 1 0 358.486 2.148 20 30 FEEDRO CN(CCC#N)C[C@@H](O)CN1CC(OCc2cccc3ccccc32)C1 ZINC000414154725 559150986 /nfs/dbraw/zinc/15/09/86/559150986.db2.gz UCIFPQYVELLWHK-LJQANCHMSA-N 1 0 353.466 2.247 20 30 FEEDRO C=CCc1cc(C[NH2+]CC2(CS(C)(=O)=O)CCC2)cc(OC)c1O ZINC000414557246 559171285 /nfs/dbraw/zinc/17/12/85/559171285.db2.gz PUFJQGJVQDPLSG-UHFFFAOYSA-N 1 0 353.484 2.434 20 30 FEEDRO N#Cc1ccc(Cc2cnc(NC(=O)N3CCCO[C@@H](C[NH3+])C3)s2)cc1 ZINC000414733114 559183190 /nfs/dbraw/zinc/18/31/90/559183190.db2.gz JOUSSIZPOKDVSA-HNNXBMFYSA-N 1 0 371.466 2.187 20 30 FEEDRO C=CCN(CC1CCCCC1)C(=O)C(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2 ZINC000414820618 559189468 /nfs/dbraw/zinc/18/94/68/559189468.db2.gz CKBUTBXKRIBNOG-KRWDZBQOSA-N 1 0 370.497 2.431 20 30 FEEDRO C[C@@H](C#N)CN(C(=O)C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1)C1CC1 ZINC000415151675 559209510 /nfs/dbraw/zinc/20/95/10/559209510.db2.gz AQUCIPPHTZNNNC-JTQLQIEISA-N 1 0 368.359 2.253 20 30 FEEDRO C[C@H](C#N)CSc1ccccc1NC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000415169921 559211548 /nfs/dbraw/zinc/21/15/48/559211548.db2.gz WGSGGEPOYHHXSA-HZPDHXFCSA-N 1 0 373.526 2.450 20 30 FEEDRO N#Cc1ccccc1Oc1ccc(NC(=O)C(=O)N2CCC([NH3+])CC2)cc1 ZINC000415263198 559219615 /nfs/dbraw/zinc/21/96/15/559219615.db2.gz HNZGKZCZJIKHAW-UHFFFAOYSA-N 1 0 364.405 2.239 20 30 FEEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N1CC[NH2+]CC1 ZINC000415283351 559220979 /nfs/dbraw/zinc/22/09/79/559220979.db2.gz MVWFIMUXUKBSME-UHFFFAOYSA-N 1 0 364.405 2.029 20 30 FEEDRO N#Cc1cc(NC(=O)C(=O)N2CC[C@@H](C[NH3+])C2)ccc1Oc1ccccc1 ZINC000415348216 559226131 /nfs/dbraw/zinc/22/61/31/559226131.db2.gz AJJHQJXHQLUDPO-AWEZNQCLSA-N 1 0 364.405 2.096 20 30 FEEDRO C[C@@H](NC(=O)C(=O)Nc1scc(C(C)(C)C)c1C#N)[C@@H]1CCC[NH2+]C1 ZINC000415353983 559226851 /nfs/dbraw/zinc/22/68/51/559226851.db2.gz RPFRKPSGJKRNHK-VXGBXAGGSA-N 1 0 362.499 2.360 20 30 FEEDRO CCCN(C(=O)C(=O)Nc1sc(C(C)(C)C)cc1C#N)[C@H]1CC[NH2+]C1 ZINC000415387236 559230102 /nfs/dbraw/zinc/23/01/02/559230102.db2.gz GSDIHKGZUWTUPC-ZDUSSCGKSA-N 1 0 362.499 2.456 20 30 FEEDRO CC(C)(C)c1csc(NC(=O)C(=O)NCC[C@@H]2CCC[NH2+]C2)c1C#N ZINC000415417384 559233324 /nfs/dbraw/zinc/23/33/24/559233324.db2.gz VUCULVZNPLFPLF-LBPRGKRZSA-N 1 0 362.499 2.362 20 30 FEEDRO N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)N[C@H](C[NH3+])C2CCCC2)n1 ZINC000415439812 559237269 /nfs/dbraw/zinc/23/72/69/559237269.db2.gz DLFDWXJZBGLXOL-OAHLLOKOSA-N 1 0 372.860 3.036 20 30 FEEDRO CCC([NH3+])(CC)CNC(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 ZINC000415443648 559237553 /nfs/dbraw/zinc/23/75/53/559237553.db2.gz FVQXIYJPRAYSTP-UHFFFAOYSA-N 1 0 360.849 3.036 20 30 FEEDRO N#Cc1cccc(Oc2ccc(NC(=O)C(=O)N[C@H](C[NH3+])C3CC3)cc2)c1 ZINC000415453365 559238695 /nfs/dbraw/zinc/23/86/95/559238695.db2.gz NCPJBKCRAZBJBK-GOSISDBHSA-N 1 0 364.405 2.143 20 30 FEEDRO CC1(CNC(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)CC[NH2+]CC1 ZINC000415455551 559239019 /nfs/dbraw/zinc/23/90/19/559239019.db2.gz JUBGLKBRKJBSEK-UHFFFAOYSA-N 1 0 372.860 2.909 20 30 FEEDRO COCCOc1ccc(C#N)cc1NC(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000415468545 559240580 /nfs/dbraw/zinc/24/05/80/559240580.db2.gz YOOFSBNTLUOILC-KRWDZBQOSA-N 1 0 360.458 2.483 20 30 FEEDRO N#Cc1ccc(-n2ccc(NC(=O)N[C@H]3CCC[C@H]([NH3+])C3)n2)c(Cl)c1 ZINC000415469674 559240767 /nfs/dbraw/zinc/24/07/67/559240767.db2.gz XQYCQQSXRBAREE-STQMWFEESA-N 1 0 358.833 2.789 20 30 FEEDRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000415492914 559242960 /nfs/dbraw/zinc/24/29/60/559242960.db2.gz LRNAECZLXFMZPF-UONOGXRCSA-N 1 0 360.483 2.087 20 30 FEEDRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000415492233 559243080 /nfs/dbraw/zinc/24/30/80/559243080.db2.gz LFYPYNGPHDGTAH-ZIAGYGMSSA-N 1 0 360.483 2.230 20 30 FEEDRO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000415495576 559243437 /nfs/dbraw/zinc/24/34/37/559243437.db2.gz FTUKLEFFCNCUFQ-CQSZACIVSA-N 1 0 370.375 2.347 20 30 FEEDRO CC(C)(C)c1csc(NC(=O)C(=O)NC[C@@]2(C)CCC[NH2+]C2)c1C#N ZINC000415577745 559251752 /nfs/dbraw/zinc/25/17/52/559251752.db2.gz YFORPRJPOMXVDQ-SFHVURJKSA-N 1 0 362.499 2.362 20 30 FEEDRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)Nc1cccc(C#Cc2ccccc2)c1 ZINC000415615177 559255443 /nfs/dbraw/zinc/25/54/43/559255443.db2.gz OHSNCHRKVVTJOR-UZLBHIALSA-N 1 0 361.445 2.139 20 30 FEEDRO CC(C)(C)c1csc(NC(=O)C(=O)N2CCC[C@H](CC[NH3+])C2)c1C#N ZINC000415688800 559262114 /nfs/dbraw/zinc/26/21/14/559262114.db2.gz LOBJYKHQPZPAQP-GFCCVEGCSA-N 1 0 362.499 2.443 20 30 FEEDRO C=C(C)COc1cccc(NC(=O)C(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)c1 ZINC000415742252 559266646 /nfs/dbraw/zinc/26/66/46/559266646.db2.gz BCFOJPRKHFCWLP-KRWDZBQOSA-N 1 0 371.481 2.428 20 30 FEEDRO CC(C)(CCC[NH3+])NC(=O)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 ZINC000415754061 559267820 /nfs/dbraw/zinc/26/78/20/559267820.db2.gz DWEOBIYCEBFFGU-UHFFFAOYSA-N 1 0 372.347 2.029 20 30 FEEDRO CC(C)(C)c1cc(C#N)c(NC(=O)C(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)s1 ZINC000415801716 559272478 /nfs/dbraw/zinc/27/24/78/559272478.db2.gz FNMMFBNXQIVZES-YPMHNXCESA-N 1 0 362.499 2.489 20 30 FEEDRO O=C(NCCC[NH2+]C1CC1)C(=O)Nc1cccc(C#Cc2ccccc2)c1 ZINC000415864428 559279578 /nfs/dbraw/zinc/27/95/78/559279578.db2.gz WOHBGLNMLRSAFS-UHFFFAOYSA-N 1 0 361.445 2.283 20 30 FEEDRO C[NH2+]Cc1ccccc1NC(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000415902902 559281923 /nfs/dbraw/zinc/28/19/23/559281923.db2.gz POTDJVSUZKHTQP-MRXNPFEDSA-N 1 0 351.410 2.358 20 30 FEEDRO O=C(NCC#Cc1cccc(C(F)(F)F)c1)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000416942159 559339598 /nfs/dbraw/zinc/33/95/98/559339598.db2.gz JAMJRCKDJFVEMF-HUUCEWRRSA-N 1 0 351.372 2.308 20 30 FEEDRO COC[C@@]1(CNC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CCC[NH2+]1 ZINC000416944503 559339618 /nfs/dbraw/zinc/33/96/18/559339618.db2.gz LVJSVIOVJYOYPK-KRWDZBQOSA-N 1 0 369.387 2.125 20 30 FEEDRO C[C@H]([NH3+])[C@H]1CCN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)C1 ZINC000417570202 559367093 /nfs/dbraw/zinc/36/70/93/559367093.db2.gz DANSBRZTESQMPG-BPUTZDHNSA-N 1 0 359.449 2.045 20 30 FEEDRO N#Cc1ccc(N2CCC[C@@H](NC(=O)N[C@@H](C[NH3+])C3CCCC3)C2)c(F)c1 ZINC000417575710 559367232 /nfs/dbraw/zinc/36/72/32/559367232.db2.gz JKIRZHZRUFRAPD-AEFFLSMTSA-N 1 0 373.476 2.483 20 30 FEEDRO CCCC[C@H](C[NH3+])NC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000417970551 559384355 /nfs/dbraw/zinc/38/43/55/559384355.db2.gz QZSYOAPNPKAPLO-AQFXKWCLSA-N 1 0 359.474 2.460 20 30 FEEDRO COc1ccc(CN2C[C@@H](C)[N@H+](CCO)C[C@H]2C)cc1OCCCC#N ZINC000418123742 559391010 /nfs/dbraw/zinc/39/10/10/559391010.db2.gz YPNUTKONAKRMAN-IAGOWNOFSA-N 1 0 361.486 2.265 20 30 FEEDRO C=CCC[C@H](CO)NC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000418576014 559406930 /nfs/dbraw/zinc/40/69/30/559406930.db2.gz XFUNBZGCMSYRMR-CKEIUWERSA-N 1 0 353.413 2.037 20 30 FEEDRO C[C@H](NC(=O)C(=O)N(C)[C@@H](C)C[NH3+])c1ccc(-c2cccc(C#N)c2)cc1 ZINC000419208274 559432683 /nfs/dbraw/zinc/43/26/83/559432683.db2.gz NYCGNOOZOIYIOD-GJZGRUSLSA-N 1 0 364.449 2.208 20 30 FEEDRO C[C@@H]1CN(CC#Cc2ccc(OC(F)(F)F)cc2)[C@@H](C)C[N@@H+]1CCO ZINC000419327462 559437413 /nfs/dbraw/zinc/43/74/13/559437413.db2.gz CZZJJRGNCIKBAD-LSDHHAIUSA-N 1 0 356.388 2.324 20 30 FEEDRO C[C@H]1[C@@H](C)[N@@H+](CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)C[C@H]1C ZINC000419382944 559440360 /nfs/dbraw/zinc/44/03/60/559440360.db2.gz ZMSXDGOEJRPPET-QBPKDAKJSA-N 1 0 360.527 2.433 20 30 FEEDRO CC1(C)CCC[NH2+][C@H]1CNC(=O)C(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000419479693 559444510 /nfs/dbraw/zinc/44/45/10/559444510.db2.gz VCEXPPVSMTZZBW-IRXDYDNUSA-N 1 0 356.470 2.042 20 30 FEEDRO C=C(C)[C@H](NC(=O)C(=O)N(C)[C@H]1CCC[NH2+]CC1)c1ccc(F)c(F)c1 ZINC000419676739 559453372 /nfs/dbraw/zinc/45/33/72/559453372.db2.gz MAHMGJWLJQRTEU-YOEHRIQHSA-N 1 0 365.424 2.299 20 30 FEEDRO C=C(C)[C@@H](NC(=O)C(=O)N1CCC([C@@H](C)[NH3+])CC1)c1ccc(F)c(F)c1 ZINC000419683868 559453916 /nfs/dbraw/zinc/45/39/16/559453916.db2.gz VPDVPITUCRUPJI-SJKOYZFVSA-N 1 0 365.424 2.284 20 30 FEEDRO C=C(C)[C@H](NC(=O)C(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1)c1ccc(F)c(F)c1 ZINC000419686162 559454158 /nfs/dbraw/zinc/45/41/58/559454158.db2.gz YQYIPHMFLWKFBR-JDFRZJQESA-N 1 0 365.424 2.203 20 30 FEEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000419910574 559464089 /nfs/dbraw/zinc/46/40/89/559464089.db2.gz IEYADWUETVWYIN-GFCCVEGCSA-N 1 0 355.891 2.032 20 30 FEEDRO C[C@@H](CCCC[NH3+])NS(=O)(=O)c1cccc(Br)c1C#N ZINC000420420493 559486796 /nfs/dbraw/zinc/48/67/96/559486796.db2.gz JVIKCGPPBPOWAE-JTQLQIEISA-N 1 0 360.277 2.117 20 30 FEEDRO N#Cc1c(Cl)cccc1S(=O)(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420457528 559488491 /nfs/dbraw/zinc/48/84/91/559488491.db2.gz OSWRJZWPIFRXIK-STQMWFEESA-N 1 0 353.875 2.222 20 30 FEEDRO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCC[C@@H](CC(F)(F)F)C2)CC1 ZINC000420943270 559513270 /nfs/dbraw/zinc/51/32/70/559513270.db2.gz ICZXIHTUPAUKNQ-HOTGVXAUSA-N 1 0 374.451 2.343 20 30 FEEDRO CC(=O)N[C@@H]1CC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)C1 ZINC000420976620 559516020 /nfs/dbraw/zinc/51/60/20/559516020.db2.gz BDBYRFTZYXZQIU-TZMCWYRMSA-N 1 0 374.510 2.284 20 30 FEEDRO CC[NH+](CC)Cc1ccc(CNC(=O)C(=O)NCC(C)(C)CC#N)cc1 ZINC000420999125 559518382 /nfs/dbraw/zinc/51/83/82/559518382.db2.gz NEYZLUVTKJCDQD-UHFFFAOYSA-N 1 0 358.486 2.201 20 30 FEEDRO CCOC(=O)c1c(NC(=O)NCC[N@H+](C)[C@@H](C)CC)c(C#N)cn1CC ZINC000421148155 559526775 /nfs/dbraw/zinc/52/67/75/559526775.db2.gz GCNPUOMJDWNVCD-ZDUSSCGKSA-N 1 0 363.462 2.408 20 30 FEEDRO N#Cc1ccc(C[NH2+][C@@H](Cc2ccccc2)C(=O)N2CCOCC2)cc1F ZINC000421346531 559539808 /nfs/dbraw/zinc/53/98/08/559539808.db2.gz TVZGMUCGTSMQLG-FQEVSTJZSA-N 1 0 367.424 2.257 20 30 FEEDRO Cc1c(Cl)c(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)nn1C ZINC000421433727 559542367 /nfs/dbraw/zinc/54/23/67/559542367.db2.gz NDIIBIOCAWVABM-UHFFFAOYSA-N 1 0 359.861 2.458 20 30 FEEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000422105609 559565464 /nfs/dbraw/zinc/56/54/64/559565464.db2.gz QEWOKKRRHVFXRO-ZDUSSCGKSA-N 1 0 369.918 2.469 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCc2cnccc2C(C)(C)C)CC1 ZINC000422302757 559577072 /nfs/dbraw/zinc/57/70/72/559577072.db2.gz YQEGFSYYLRNUBB-UHFFFAOYSA-N 1 0 372.513 2.152 20 30 FEEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CCC[C@@H]([NH2+]C)C1 ZINC000423022294 559615399 /nfs/dbraw/zinc/61/53/99/559615399.db2.gz HKZGERWKYHDJQX-GFCCVEGCSA-N 1 0 355.891 2.127 20 30 FEEDRO C=CCN(Cc1ccccc1F)C(=O)C(=O)N1CCC(CC[NH2+]C)CC1 ZINC000423184586 559622225 /nfs/dbraw/zinc/62/22/25/559622225.db2.gz MCSIGAAQRUNOBD-UHFFFAOYSA-N 1 0 361.461 2.188 20 30 FEEDRO CC[C@H](C(=O)N1CCC(NC(=O)[C@H]([NH3+])CCCC#N)CC1)c1ccccc1 ZINC000424109961 559654991 /nfs/dbraw/zinc/65/49/91/559654991.db2.gz BNZJVQBFLKDENQ-RBUKOAKNSA-N 1 0 370.497 2.309 20 30 FEEDRO N#CCCC[C@@H]([NH3+])C(=O)N1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000424134960 559655778 /nfs/dbraw/zinc/65/57/78/559655778.db2.gz LIJWNPAVLUXEFY-MRXNPFEDSA-N 1 0 352.841 2.144 20 30 FEEDRO N#CCCC[C@H]([NH3+])C(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000424140581 559656007 /nfs/dbraw/zinc/65/60/07/559656007.db2.gz WINCGQXUBJRTSE-ZDUSSCGKSA-N 1 0 356.257 2.058 20 30 FEEDRO COc1ccc(Cl)cc1N1CC[C@@H](NC(=O)[C@@H]([NH3+])CCCC#N)C1 ZINC000424151040 559656280 /nfs/dbraw/zinc/65/62/80/559656280.db2.gz GZODLJXHRDPETK-KGLIPLIRSA-N 1 0 350.850 2.065 20 30 FEEDRO C[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000424328799 559661604 /nfs/dbraw/zinc/66/16/04/559661604.db2.gz OSHOWUNQZWVQQA-JBLDHEPKSA-N 1 0 372.288 2.439 20 30 FEEDRO C[C@H]1CC2(CN1C(=O)C(=O)N[C@H](CCC#N)c1ccccc1)CC[NH2+]CC2 ZINC000424531473 559668570 /nfs/dbraw/zinc/66/85/70/559668570.db2.gz WZNXAMLZDAYMOP-FUHWJXTLSA-N 1 0 368.481 2.138 20 30 FEEDRO C=CCCn1cc(C(=O)NC[C@@H](CC)[N@@H+]2CCc3ccccc3C2)nn1 ZINC000424581824 559670137 /nfs/dbraw/zinc/67/01/37/559670137.db2.gz HWVAMWMOANKALM-GOSISDBHSA-N 1 0 353.470 2.421 20 30 FEEDRO C=CCCn1cc(C(=O)NC2CC[NH+]([C@H](C)c3ccncc3)CC2)nn1 ZINC000424733815 559675024 /nfs/dbraw/zinc/67/50/24/559675024.db2.gz IVVYRBZWDOYYDP-OAHLLOKOSA-N 1 0 354.458 2.205 20 30 FEEDRO C=CCCn1cc(C(=O)NC[C@H](C2CC2)[N@H+](C)Cc2ccccc2)nn1 ZINC000424781002 559676484 /nfs/dbraw/zinc/67/64/84/559676484.db2.gz WLOHJEXVFOYSDC-LJQANCHMSA-N 1 0 353.470 2.495 20 30 FEEDRO C[C@@H](c1cccc(C#N)c1)N(C)CC(=O)NCCCN1CCCCCC1=O ZINC000425541811 559708771 /nfs/dbraw/zinc/70/87/71/559708771.db2.gz XHSUXPDLQOBMDF-KRWDZBQOSA-N 1 0 370.497 2.460 20 30 FEEDRO C=CCn1cc(CNC(=O)NCC2([NH+]3CCCCC3)CCCCC2)nn1 ZINC000425643378 559712647 /nfs/dbraw/zinc/71/26/47/559712647.db2.gz HUKIWEYZMMRUJH-UHFFFAOYSA-N 1 0 360.506 2.452 20 30 FEEDRO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000425886661 559723999 /nfs/dbraw/zinc/72/39/99/559723999.db2.gz QIEJFYXGFFRODB-HNNXBMFYSA-N 1 0 356.470 2.068 20 30 FEEDRO C=C[C@@H]1CCCCN1C(=O)C(=O)Nc1ccc(OC2CC[NH+](C)CC2)nc1 ZINC000427688631 559760457 /nfs/dbraw/zinc/76/04/57/559760457.db2.gz DFSLGZXAKVVQRK-MRXNPFEDSA-N 1 0 372.469 2.060 20 30 FEEDRO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CC[C@@](C(=O)OC)(c2ccccc2)C1 ZINC000428771196 559782822 /nfs/dbraw/zinc/78/28/22/559782822.db2.gz HMESZXYBEGVBMY-UTKZUKDTSA-N 1 0 356.466 2.392 20 30 FEEDRO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(C#N)nc1 ZINC000431889900 559848069 /nfs/dbraw/zinc/84/80/69/559848069.db2.gz ACZVCOXVLQVZAT-YOEHRIQHSA-N 1 0 350.488 2.132 20 30 FEEDRO COc1cc(C#N)ccc1NC(=O)C(=O)Nc1ccc(C[NH+](C)C)cc1 ZINC000527344316 562286127 /nfs/dbraw/zinc/28/61/27/562286127.db2.gz NCYAVRZUUCDNEB-UHFFFAOYSA-N 1 0 352.394 2.206 20 30 FEEDRO C[N@H+]1CC=C(CNC(=O)NC2CCC(Oc3ncccc3C#N)CC2)CC1 ZINC000527352750 562286230 /nfs/dbraw/zinc/28/62/30/562286230.db2.gz LPTCGWRCVLTVRQ-UHFFFAOYSA-N 1 0 369.469 2.204 20 30 FEEDRO C[NH+](C)CCn1c2cc(NC(=O)c3cscc3C#N)ccc2oc1=O ZINC000432393793 559857902 /nfs/dbraw/zinc/85/79/02/559857902.db2.gz WNHKCTASFMGRFH-UHFFFAOYSA-N 1 0 356.407 2.342 20 30 FEEDRO N#CCCn1cc(C[NH2+]CCNC(=O)c2ccccc2)c(-c2ccncc2)n1 ZINC000433306718 559876441 /nfs/dbraw/zinc/87/64/41/559876441.db2.gz SUAPLQBJTMZLRA-UHFFFAOYSA-N 1 0 374.448 2.378 20 30 FEEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)C[C@@H]1C ZINC000434807341 559909819 /nfs/dbraw/zinc/90/98/19/559909819.db2.gz DZIFKJAUADNXRI-GOEBONIOSA-N 1 0 373.501 2.384 20 30 FEEDRO CCC(=O)N[C@H]1CCC[N@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000435124812 559916733 /nfs/dbraw/zinc/91/67/33/559916733.db2.gz AQYXZLDNTUKGAH-SFHVURJKSA-N 1 0 366.469 2.349 20 30 FEEDRO CC[NH+](CC)CC1CCN(C(=O)C(=O)Nc2ccc(F)cc2C#N)CC1 ZINC000435652071 559927315 /nfs/dbraw/zinc/92/73/15/559927315.db2.gz ATAOEOVUNXXYMT-UHFFFAOYSA-N 1 0 360.433 2.216 20 30 FEEDRO C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)Nc1cc(C[NH+](C)C)ccc1C ZINC000437041308 559959788 /nfs/dbraw/zinc/95/97/88/559959788.db2.gz LLOKWMUCZFEISD-FUHWJXTLSA-N 1 0 359.470 2.093 20 30 FEEDRO N#CC1(NC(=O)COc2ccc(OCC[NH+]3CCCCC3)cc2)CCC1 ZINC000438905018 559985551 /nfs/dbraw/zinc/98/55/51/559985551.db2.gz OSZHTLZCWCEEIA-UHFFFAOYSA-N 1 0 357.454 2.493 20 30 FEEDRO CC(C)(C)OC(=O)[C@@]12CCC[C@H]1C[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)C2 ZINC000439485483 559995676 /nfs/dbraw/zinc/99/56/76/559995676.db2.gz IGMNEWGURKLBDY-CWFSZBLJSA-N 1 0 361.486 2.239 20 30 FEEDRO N#Cc1ccc(CS(=O)(=O)N2CCC([NH+]3CCCCC3)CC2)c(F)c1 ZINC000440058992 560004013 /nfs/dbraw/zinc/00/40/13/560004013.db2.gz DYFSRRJKWMHVKK-UHFFFAOYSA-N 1 0 365.474 2.477 20 30 FEEDRO C[C@H](CNS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)[N@@H+]1CCCC[C@H]1C ZINC000443104687 560070663 /nfs/dbraw/zinc/07/06/63/560070663.db2.gz NYSBTDHISMEYOJ-CHWSQXEVSA-N 1 0 366.443 2.008 20 30 FEEDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NS(=O)(=O)c1ccc(F)cc1C#N ZINC000443357938 560081831 /nfs/dbraw/zinc/08/18/31/560081831.db2.gz FOBMNRIMZAKIFE-MCIONIFRSA-N 1 0 353.463 2.342 20 30 FEEDRO CCC[C@]1(C(=O)OCC)CCC[N@@H+]1C[C@H](O)COc1ccc(C#N)cc1 ZINC000444777934 560120521 /nfs/dbraw/zinc/12/05/21/560120521.db2.gz UGSUFKKEHHWQEE-FXAWDEMLSA-N 1 0 360.454 2.496 20 30 FEEDRO C=CC[C@@H]1[N@@H+](CC(=O)c2c(N)n(C3CC3)c(=O)[nH]c2=O)CCCC1(C)C ZINC000444783580 560120745 /nfs/dbraw/zinc/12/07/45/560120745.db2.gz LFDRPLVXCIBACS-AWEZNQCLSA-N 1 0 360.458 2.115 20 30 FEEDRO C[C@H]1C[C@]1(C#N)C(=O)NCCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000448739082 560197244 /nfs/dbraw/zinc/19/72/44/560197244.db2.gz SHOOGDGUORNWNR-GHTZIAJQSA-N 1 0 354.498 2.250 20 30 FEEDRO C[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C1 ZINC000448883353 560204652 /nfs/dbraw/zinc/20/46/52/560204652.db2.gz QPQUJDGVJQFUKI-ZBFHGGJFSA-N 1 0 374.872 2.117 20 30 FEEDRO CC#CCC[NH2+]Cc1cc(Br)ccc1O[C@@H](C)C(=O)NC ZINC000449226671 560220843 /nfs/dbraw/zinc/22/08/43/560220843.db2.gz NGHPTEKGPQCSAM-LBPRGKRZSA-N 1 0 353.260 2.465 20 30 FEEDRO CC1(C#N)CCC([NH2+]CCNS(=O)(=O)c2ccc(F)cc2F)CC1 ZINC000449300091 560224239 /nfs/dbraw/zinc/22/42/39/560224239.db2.gz CNQGPRNLIJCPEQ-UHFFFAOYSA-N 1 0 357.426 2.305 20 30 FEEDRO COc1ccc(CN2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)cc1OCCCC#N ZINC000449536607 560232991 /nfs/dbraw/zinc/23/29/91/560232991.db2.gz FPMNFMGFLLOCQF-CALCHBBNSA-N 1 0 361.486 2.265 20 30 FEEDRO CN(C)C(=O)N[C@@H]1CCC[N@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000449745991 560238818 /nfs/dbraw/zinc/23/88/18/560238818.db2.gz PPLPZVMJPBCLPS-GOSISDBHSA-N 1 0 366.469 2.194 20 30 FEEDRO C[C@@H]1C[N@@H+](CCC2CCN(C(=O)c3ccc(C#N)n3C)CC2)C[C@H](C)O1 ZINC000450067901 560249785 /nfs/dbraw/zinc/24/97/85/560249785.db2.gz QQGPGAFDTNXSIN-IYBDPMFKSA-N 1 0 358.486 2.248 20 30 FEEDRO COc1ccccc1[C@@H](CNc1nc2c(cc1C#N)COCC2)[NH+](C)C ZINC000450211431 560253970 /nfs/dbraw/zinc/25/39/70/560253970.db2.gz AWFMSCPLIQVHCO-GOSISDBHSA-N 1 0 352.438 2.749 20 30 FEEDRO C[C@@H]1C[N@@H+](C)C[C@H](C)N1C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 ZINC000450241795 560255418 /nfs/dbraw/zinc/25/54/18/560255418.db2.gz MTJNBDUDTDNKSZ-VNHYZAJKSA-N 1 0 374.872 2.116 20 30 FEEDRO C[N@H+](CCOc1cccc(CNc2nccc(C#N)n2)c1)C1CCOCC1 ZINC000450309442 560257905 /nfs/dbraw/zinc/25/79/05/560257905.db2.gz SZBLPFUUVVEQNH-UHFFFAOYSA-N 1 0 367.453 2.450 20 30 FEEDRO C[C@@H](CNS(=O)(=O)c1ccc(CC#N)cc1Cl)C[NH+]1CCCC1 ZINC000451093867 560286727 /nfs/dbraw/zinc/28/67/27/560286727.db2.gz ZIYFUBUKDLWEKS-ZDUSSCGKSA-N 1 0 355.891 2.416 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(F)cc1F)S(=O)(=O)CC1(CC#N)CC1 ZINC000451124982 560288456 /nfs/dbraw/zinc/28/84/56/560288456.db2.gz HODLGKMHSGWBKV-UHFFFAOYSA-N 1 0 371.453 2.352 20 30 FEEDRO N#C[C@@H](c1cccs1)N1CCN(C(=O)C[NH+]2CCC(CF)CC2)CC1 ZINC000451394492 560304188 /nfs/dbraw/zinc/30/41/88/560304188.db2.gz PACFLZJOFFVGRN-INIZCTEOSA-N 1 0 364.490 2.138 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]CC(=O)N1N=C(c2ccco2)C[C@H]1c1ccco1 ZINC000451602650 560316791 /nfs/dbraw/zinc/31/67/91/560316791.db2.gz XLSYCIMKDWOEMK-KBMXLJTQSA-N 1 0 355.394 2.483 20 30 FEEDRO CC(C)[C@@H](CO)[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)C(C)C ZINC000451603886 560317009 /nfs/dbraw/zinc/31/70/09/560317009.db2.gz XURNTQZNAYPJGD-MSOLQXFVSA-N 1 0 352.500 2.211 20 30 FEEDRO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000451904111 560336136 /nfs/dbraw/zinc/33/61/36/560336136.db2.gz JNULCSXGTASVIP-ZMSDIMECSA-N 1 0 359.388 2.400 20 30 FEEDRO C=CCC1(CNS(=O)(=O)c2c(C)nn(CC[NH+](C)C)c2C)CCCC1 ZINC000451953074 560340338 /nfs/dbraw/zinc/34/03/38/560340338.db2.gz RIPXACLGVKXGTP-UHFFFAOYSA-N 1 0 368.547 2.476 20 30 FEEDRO C=CCn1c([C@@H](C)OCCOC)nnc1N(C)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000453455664 560387093 /nfs/dbraw/zinc/38/70/93/560387093.db2.gz XQBSLVJNYYCZHC-HZPDHXFCSA-N 1 0 351.495 2.107 20 30 FEEDRO N#CCc1cccc(NC(=O)C(=O)N2CCC([NH+]3CCCCC3)CC2)c1 ZINC000453607979 560390895 /nfs/dbraw/zinc/39/08/95/560390895.db2.gz YDZYDQIGWXPJJT-UHFFFAOYSA-N 1 0 354.454 2.168 20 30 FEEDRO Cc1cc(C#N)cc(NC(=O)C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)c1 ZINC000453610660 560390971 /nfs/dbraw/zinc/39/09/71/560390971.db2.gz KDXKBELNRVPRTL-LJQANCHMSA-N 1 0 364.449 2.094 20 30 FEEDRO Cc1cc(C#N)cc(NC(=O)C(=O)N[C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC000453614892 560391280 /nfs/dbraw/zinc/39/12/80/560391280.db2.gz PVGSLFRYDCGJCG-BZUAXINKSA-N 1 0 356.470 2.288 20 30 FEEDRO C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)C1 ZINC000453647415 560393151 /nfs/dbraw/zinc/39/31/51/560393151.db2.gz NEOBLDXRWRSTAZ-AWEZNQCLSA-N 1 0 372.469 2.084 20 30 FEEDRO CCC(CC)[C@@H](CNC(=O)C(=O)Nc1cnc(C#N)c(Cl)c1)[NH+](C)C ZINC000453650097 560393448 /nfs/dbraw/zinc/39/34/48/560393448.db2.gz WGAPVMYQUJWBMY-OAHLLOKOSA-N 1 0 365.865 2.028 20 30 FEEDRO Cc1cc(C#N)cc(NC(=O)C(=O)NC[C@H]2CCCC[N@H+]2CC(C)C)c1 ZINC000453675066 560395686 /nfs/dbraw/zinc/39/56/86/560395686.db2.gz RLWACYWVLLPMMU-GOSISDBHSA-N 1 0 356.470 2.432 20 30 FEEDRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)C(=O)N3CCC(C)(C#N)CC3)ccc21 ZINC000453692666 560397178 /nfs/dbraw/zinc/39/71/78/560397178.db2.gz DGLOIDCASUGFJZ-QGZVFWFLSA-N 1 0 354.454 2.326 20 30 FEEDRO Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)Nc2cccc(CC#N)c2)o1 ZINC000453707239 560398487 /nfs/dbraw/zinc/39/84/87/560398487.db2.gz JHSUKEQNSDHEEL-UHFFFAOYSA-N 1 0 368.437 2.183 20 30 FEEDRO CN(C(=O)C(=O)Nc1ccc(CC#N)cc1Cl)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000453715136 560399103 /nfs/dbraw/zinc/39/91/03/560399103.db2.gz RLSUMCYBEVINJZ-AWEZNQCLSA-N 1 0 360.845 2.040 20 30 FEEDRO CCN(CCNC(=O)C(=O)Nc1cccc(CC#N)c1)CCC(F)(F)F ZINC000453758881 560402174 /nfs/dbraw/zinc/40/21/74/560402174.db2.gz QYJCFRBQUJBBCE-UHFFFAOYSA-N 1 0 370.375 2.082 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H](C)C(=O)N2c3ccccc3C[C@H]2C)CC1 ZINC000454535960 560448721 /nfs/dbraw/zinc/44/87/21/560448721.db2.gz FZQONSYYJBJXIE-CVEARBPZSA-N 1 0 370.497 2.302 20 30 FEEDRO C[C@@H](CNC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)[NH+](C)C ZINC000455236844 560475078 /nfs/dbraw/zinc/47/50/78/560475078.db2.gz KBQCLBCWIOWKGL-AWEZNQCLSA-N 1 0 357.458 2.341 20 30 FEEDRO COCC[NH+](CCOC)C1CCN(C(=O)Nc2cc(C)cc(C#N)c2)CC1 ZINC000455949309 560501653 /nfs/dbraw/zinc/50/16/53/560501653.db2.gz CWRROSFTKBFXOT-UHFFFAOYSA-N 1 0 374.485 2.458 20 30 FEEDRO C[NH+](C)CCn1cc(NC(=O)C(C)(C)Cc2ccc(C#N)cc2)ccc1=O ZINC000455989273 560503656 /nfs/dbraw/zinc/50/36/56/560503656.db2.gz CIVGFQUQDVAFIO-UHFFFAOYSA-N 1 0 366.465 2.489 20 30 FEEDRO CN(C)CC[N@H+](C)CCCN(C)C(=O)C(C)(C)Cc1ccc(C#N)cc1 ZINC000456058618 560505655 /nfs/dbraw/zinc/50/56/55/560505655.db2.gz XDPZSRZQERTIDA-UHFFFAOYSA-N 1 0 358.530 2.469 20 30 FEEDRO C[N@@H+]1CCN(CCNC(=O)C(C)(C)Cc2ccc(C#N)cc2)CC1(C)C ZINC000456069638 560505947 /nfs/dbraw/zinc/50/59/47/560505947.db2.gz PNJVKZKALPUXCM-UHFFFAOYSA-N 1 0 356.514 2.269 20 30 FEEDRO C=CCNS(=O)(=O)c1cccc(C(=O)NC(C)(C)CCC[NH+](C)C)c1 ZINC000456212102 560511628 /nfs/dbraw/zinc/51/16/28/560511628.db2.gz YRGRWNGVVZCSQL-UHFFFAOYSA-N 1 0 367.515 2.001 20 30 FEEDRO N#CCCCC(=O)NCC1([NH+]2CCN(c3ccccc3)CC2)CCOCC1 ZINC000456315476 560515122 /nfs/dbraw/zinc/51/51/22/560515122.db2.gz NCCPKEMAPJPAOJ-UHFFFAOYSA-N 1 0 370.497 2.168 20 30 FEEDRO N#Cc1ccc(Nc2cccc(C(=O)NCC[NH+]3CCC(O)CC3)c2)cc1 ZINC000456590920 560525240 /nfs/dbraw/zinc/52/52/40/560525240.db2.gz VAICDFXZXKJMSB-UHFFFAOYSA-N 1 0 364.449 2.488 20 30 FEEDRO Cc1cc(C(=O)NCCc2ccc(OCC[NH+](C)C)cc2)ncc1C#N ZINC000457532260 560572633 /nfs/dbraw/zinc/57/26/33/560572633.db2.gz HMKMWHUNRXABKO-UHFFFAOYSA-N 1 0 352.438 2.175 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N(C)C2CCN(CC(F)(F)F)CC2)CC1 ZINC000458333614 560615358 /nfs/dbraw/zinc/61/53/58/560615358.db2.gz LINVRSFTZFOVQW-UHFFFAOYSA-N 1 0 362.440 2.305 20 30 FEEDRO C[C@@H]1C[N@@H+](CC2CCN(C(=O)NCC(C)(C)CC#N)CC2)C[C@H](C)O1 ZINC000459251980 560676162 /nfs/dbraw/zinc/67/61/62/560676162.db2.gz BGCDEAPQLZJWQG-IYBDPMFKSA-N 1 0 350.507 2.457 20 30 FEEDRO CN(CCOCc1ccc(C#N)cc1)C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000459328724 560680159 /nfs/dbraw/zinc/68/01/59/560680159.db2.gz YKKYGMZFGDDMBA-SFHVURJKSA-N 1 0 358.486 2.448 20 30 FEEDRO CC(C)[C@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)C1(CO)CCCC1 ZINC000459527052 560691972 /nfs/dbraw/zinc/69/19/72/560691972.db2.gz IZLLMEYJGOYFTA-SFHVURJKSA-N 1 0 364.511 2.499 20 30 FEEDRO C=CCc1ccc(OC[C@H](O)C[NH2+]C2(CO)CCSCC2)c(OC)c1 ZINC000459704776 560703219 /nfs/dbraw/zinc/70/32/19/560703219.db2.gz GFXBWJVROKOBJT-MRXNPFEDSA-N 1 0 367.511 2.011 20 30 FEEDRO C=CCN(C)C(=O)C(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000459909219 560718730 /nfs/dbraw/zinc/71/87/30/560718730.db2.gz PHVLRKTYVPCREA-UHFFFAOYSA-N 1 0 355.482 2.146 20 30 FEEDRO CC[NH+](CC)CCN(CC(C)C)C(=O)C(=O)N(C)Cc1cccc(C#N)c1 ZINC000459995579 560727399 /nfs/dbraw/zinc/72/73/99/560727399.db2.gz YSHBGWMAFHPSPZ-UHFFFAOYSA-N 1 0 372.513 2.343 20 30 FEEDRO C=C(C)Cn1c(CC2CC2)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000460959883 560757162 /nfs/dbraw/zinc/75/71/62/560757162.db2.gz QGONWAXNEILUKK-GOSISDBHSA-N 1 0 359.518 2.355 20 30 FEEDRO Cc1cc(C#N)ccc1S(=O)(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000462329138 560806081 /nfs/dbraw/zinc/80/60/81/560806081.db2.gz VKPJQQNNZOSPIB-UHFFFAOYSA-N 1 0 369.490 2.244 20 30 FEEDRO N#Cc1cc(NCCCC[NH+]2CCN(CCO)CC2)ccc1C(F)(F)F ZINC000463657479 560820576 /nfs/dbraw/zinc/82/05/76/560820576.db2.gz VKCJJORVIZWFNN-UHFFFAOYSA-N 1 0 370.419 2.379 20 30 FEEDRO C[C@@H]1C[C@@H](NC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)CC[N@@H+]1C ZINC000466040754 560879064 /nfs/dbraw/zinc/87/90/64/560879064.db2.gz VFURQYKZUALQMQ-ZBFHGGJFSA-N 1 0 359.449 2.012 20 30 FEEDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CCN(c2cccc(F)c2C#N)CC1 ZINC000466761543 560894894 /nfs/dbraw/zinc/89/48/94/560894894.db2.gz DFTFNROLNIUTIJ-RDTXWAMCSA-N 1 0 371.460 2.012 20 30 FEEDRO C[C@@H](CO)[N@@H+]1CCCN(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CC1 ZINC000470412174 560981042 /nfs/dbraw/zinc/98/10/42/560981042.db2.gz TYNZFBIEQWPKOA-LBPRGKRZSA-N 1 0 370.375 2.497 20 30 FEEDRO COc1ccccc1CCC[NH+]1CCN(c2c(C#N)c(C)nn2C)CC1 ZINC000472152652 561019616 /nfs/dbraw/zinc/01/96/16/561019616.db2.gz AMSKQGHQEHWNPA-UHFFFAOYSA-N 1 0 353.470 2.364 20 30 FEEDRO CC[NH+](CC)CCO[C@@H]1CCN([C@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000472282561 561023079 /nfs/dbraw/zinc/02/30/79/561023079.db2.gz FTSARYSNAMXOCB-SJLPKXTDSA-N 1 0 358.486 2.318 20 30 FEEDRO CC[NH+](CC)CCO[C@@H]1CCN(CC(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000472289714 561023366 /nfs/dbraw/zinc/02/33/66/561023366.db2.gz DDTZXCMKSXPJTB-MRXNPFEDSA-N 1 0 362.474 2.139 20 30 FEEDRO C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc(F)c(C#N)c1)C1CCCCC1 ZINC000473909286 561060487 /nfs/dbraw/zinc/06/04/87/561060487.db2.gz AJTPEWISKHJPGD-KRWDZBQOSA-N 1 0 353.463 2.486 20 30 FEEDRO COc1cc([C@@H](C#N)NC(=O)C[NH+]2CCC(C)CC2)cc(OC)c1OC ZINC000474761668 561082302 /nfs/dbraw/zinc/08/23/02/561082302.db2.gz BEYKGSVXCDKEIX-OAHLLOKOSA-N 1 0 361.442 2.125 20 30 FEEDRO CCN(CCC[N@@H+]1CCN(c2nccnc2C#N)C[C@@H]1C)CC(F)(F)F ZINC000475037334 561088377 /nfs/dbraw/zinc/08/83/77/561088377.db2.gz CTIOOIDSOZXLFB-AWEZNQCLSA-N 1 0 370.423 2.133 20 30 FEEDRO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N[C@@H]1CC[N@@H+](CCOC)C1 ZINC000475269216 561093778 /nfs/dbraw/zinc/09/37/78/561093778.db2.gz KULWOFOQUSSIQC-QGZVFWFLSA-N 1 0 373.497 2.314 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@@H]1CCN1Cc1ccc(OC)cc1 ZINC000528027699 562311789 /nfs/dbraw/zinc/31/17/89/562311789.db2.gz UEQPHQMYUJRJHB-LNLFQRSKSA-N 1 0 359.470 2.160 20 30 FEEDRO C[C@@H]1CN(CC(F)(F)F)CC[N@H+](C[C@H](O)COc2ccccc2C#N)C1 ZINC000528523032 562333854 /nfs/dbraw/zinc/33/38/54/562333854.db2.gz XJWQRWHMFJMCRH-HOCLYGCPSA-N 1 0 371.403 2.114 20 30 FEEDRO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000528758616 562346225 /nfs/dbraw/zinc/34/62/25/562346225.db2.gz GBFRAJKLPAIXAN-KYZVSKTDSA-N 1 0 353.426 2.084 20 30 FEEDRO N#Cc1ccccc1OC[C@H](O)C[NH2+][C@H]1CCN(c2ccc(F)cc2F)C1 ZINC000530231631 562403058 /nfs/dbraw/zinc/40/30/58/562403058.db2.gz SBXMUVGVXQMUTN-DLBZAZTESA-N 1 0 373.403 2.445 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)C[C@H](CC#N)c2ccccc2)c1C#N ZINC000530424528 562410577 /nfs/dbraw/zinc/41/05/77/562410577.db2.gz IZDAVSKTGDEREV-HNNXBMFYSA-N 1 0 350.426 2.459 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1cccc2c1OC(C)(C)C2 ZINC000530549291 562415560 /nfs/dbraw/zinc/41/55/60/562415560.db2.gz RCFCDRBHKFDLTG-UHFFFAOYSA-N 1 0 372.469 2.033 20 30 FEEDRO CC1CC(C#N)(C(=O)NCCC[N@@H+]2CCN(C)C[C@@H]2c2ccccc2)C1 ZINC000531558818 562449780 /nfs/dbraw/zinc/44/97/80/562449780.db2.gz KRPOPFAWZSWAIZ-MOMVYJMYSA-N 1 0 354.498 2.421 20 30 FEEDRO COC(=O)c1cc(F)ccc1NC(=O)N(CCC#N)CCC[NH+](C)C ZINC000533111918 562498921 /nfs/dbraw/zinc/49/89/21/562498921.db2.gz WQHUVHQAWZEQIW-UHFFFAOYSA-N 1 0 350.394 2.312 20 30 FEEDRO N#Cc1ccc(CNC(=O)C[N@H+](C[C@H]2CCCO2)[C@@H]2CCSC2)cc1 ZINC000535552103 562560979 /nfs/dbraw/zinc/56/09/79/562560979.db2.gz RNQCNQKDKMIHJO-QZTJIDSGSA-N 1 0 359.495 2.161 20 30 FEEDRO N#Cc1cccc(CC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)c1 ZINC000536432772 562575243 /nfs/dbraw/zinc/57/52/43/562575243.db2.gz VFGFLAUAZDDEJX-NHCUHLMSSA-N 1 0 363.461 2.100 20 30 FEEDRO N#C[C@@H]1CSCCN1C(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000537132696 562586274 /nfs/dbraw/zinc/58/62/74/562586274.db2.gz MSWFVCNFKBSDJK-GOSISDBHSA-N 1 0 358.511 2.056 20 30 FEEDRO C[C@@H](C(=O)N1CCN(c2ccc(F)cc2)CC1)[NH+]1CCC(CC#N)CC1 ZINC000541024382 562600545 /nfs/dbraw/zinc/60/05/45/562600545.db2.gz XFYJKAKXMGQPOK-INIZCTEOSA-N 1 0 358.461 2.488 20 30 FEEDRO N#CCC1CC[NH+](CCC(=O)N2CCN(c3ccc(F)cc3)CC2)CC1 ZINC000541020810 562600617 /nfs/dbraw/zinc/60/06/17/562600617.db2.gz QJKNRJVQYJKTLR-UHFFFAOYSA-N 1 0 358.461 2.490 20 30 FEEDRO C=C(C)C[C@H](NC(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1)C(=O)OC ZINC000601784666 567840512 /nfs/dbraw/zinc/84/05/12/567840512.db2.gz GMZFEEXYQGTDFG-IBGZPJMESA-N 1 0 374.481 2.129 20 30 FEEDRO Cc1ccc(CN2CC[C@@H]([NH2+]C[C@H](O)CC3(C#N)CCOCC3)C2)cc1 ZINC000601966402 567889178 /nfs/dbraw/zinc/88/91/78/567889178.db2.gz AJJUGONQMBVOTO-WOJBJXKFSA-N 1 0 357.498 2.230 20 30 FEEDRO N#C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+]2C2CCCC2)CCN1Cc1ccccc1 ZINC000602099263 567926667 /nfs/dbraw/zinc/92/66/67/567926667.db2.gz ZAGPJKRHQHAKFV-WOJBJXKFSA-N 1 0 352.482 2.240 20 30 FEEDRO N#CCCN(C(=O)CCC(=O)N[C@H]1C[C@@H]([NH+]2CCCC2)C1)c1ccccc1 ZINC000602166347 567946503 /nfs/dbraw/zinc/94/65/03/567946503.db2.gz GNMKFOMWSRDLEZ-IZAXUBKRSA-N 1 0 368.481 2.456 20 30 FEEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccc(N2CCO[C@H](C)C2)nc1 ZINC000602514921 567989789 /nfs/dbraw/zinc/98/97/89/567989789.db2.gz MUTCUPBSFRNXJX-IAGOWNOFSA-N 1 0 358.486 2.495 20 30 FEEDRO C=CC[C@@]1(C(=O)Nc2ccc(O[C@@H](C)C(=O)OC)c(F)c2)CCC[NH2+]1 ZINC000602550782 567990663 /nfs/dbraw/zinc/99/06/63/567990663.db2.gz MYBWVDQIURJJAF-SGTLLEGYSA-N 1 0 350.390 2.403 20 30 FEEDRO Cc1ccc(NC(=O)N2C[C@@H](C)N(CC#N)[C@@H](C)C2)c(OCC[NH+](C)C)c1 ZINC000602865288 568008105 /nfs/dbraw/zinc/00/81/05/568008105.db2.gz RSRQLRRJNHZDGB-CALCHBBNSA-N 1 0 373.501 2.386 20 30 FEEDRO CC(C)(C)OC(=O)[C@H]1CC(=O)N(C2CC[NH+](CC3(CC#N)CC3)CC2)C1 ZINC000602866854 568008376 /nfs/dbraw/zinc/00/83/76/568008376.db2.gz SKAWMZRXVKKYLX-HNNXBMFYSA-N 1 0 361.486 2.335 20 30 FEEDRO C[C@H](C(=O)N(CCC#N)c1ccccc1)n1cc(C[C@@H]2CCC[NH2+]C2)nn1 ZINC000603181480 568074083 /nfs/dbraw/zinc/07/40/83/568074083.db2.gz XSPQMJDNLUVPKH-SJORKVTESA-N 1 0 366.469 2.328 20 30 FEEDRO N#Cc1ccc(CNC(=O)C[N@@H+]2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)cc1 ZINC000568593329 568074430 /nfs/dbraw/zinc/07/44/30/568074430.db2.gz FIPPDQVCWFZMCD-MOPGFXCFSA-N 1 0 353.466 2.456 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1ccc(-n2ccnc2)nn1)C(C)C ZINC000603287927 568083082 /nfs/dbraw/zinc/08/30/82/568083082.db2.gz YNWWGEVHTHPENA-KRWDZBQOSA-N 1 0 354.458 2.091 20 30 FEEDRO CC[NH+](CC)CCS(=O)(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000584683317 568195274 /nfs/dbraw/zinc/19/52/74/568195274.db2.gz IBMQCABMLSTNJR-UHFFFAOYSA-N 1 0 365.499 2.073 20 30 FEEDRO N#CCCN(CCC#N)C(=O)CN1CCC(C[NH+]2CCCCCC2)CC1 ZINC000604323587 568249430 /nfs/dbraw/zinc/24/94/30/568249430.db2.gz LPNIBMBSFJERGL-UHFFFAOYSA-N 1 0 359.518 2.230 20 30 FEEDRO N#Cc1cccc(CCNC(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)c1 ZINC000569146856 568293460 /nfs/dbraw/zinc/29/34/60/568293460.db2.gz KXOKTZPWORQTAY-VQTJNVASSA-N 1 0 370.497 2.168 20 30 FEEDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000569485554 568403208 /nfs/dbraw/zinc/40/32/08/568403208.db2.gz KTQZYPZXSLATLH-CABCVRRESA-N 1 0 364.449 2.083 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+]C[C@H]2CC23CCSCC3)cc1 ZINC000569803979 568425787 /nfs/dbraw/zinc/42/57/87/568425787.db2.gz HHIDEAOADQVTEL-OAHLLOKOSA-N 1 0 350.509 2.455 20 30 FEEDRO COC(=O)c1cccc(C[N@@H+]2C[C@H](C(N)=O)[C@@H](c3ccccc3)C2)c1C#N ZINC000569907366 568435736 /nfs/dbraw/zinc/43/57/36/568435736.db2.gz IVUZLNZJHMEHEJ-MOPGFXCFSA-N 1 0 363.417 2.046 20 30 FEEDRO N#Cc1ccc(N2CCC[C@@H](NC(=O)N(C3CC3)[C@@H]3CC[NH2+]C3)C2)c(F)c1 ZINC000570146768 568454958 /nfs/dbraw/zinc/45/49/58/568454958.db2.gz UHAZTXSTWQGRPL-NVXWUHKLSA-N 1 0 371.460 2.202 20 30 FEEDRO CCOc1ccc(C#N)cc1NC(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000570303768 568473749 /nfs/dbraw/zinc/47/37/49/568473749.db2.gz ZHIXRNGVIUZJGS-QAPCUYQASA-N 1 0 358.442 2.317 20 30 FEEDRO CCOCCC[N@@H+]1CCC(=NNCc2ccc(-c3nn[nH]n3)cc2)[C@H](C)C1 ZINC000821377818 607254082 /nfs/dbraw/zinc/25/40/82/607254082.db2.gz FDTJIRWDWJGWRM-OAHLLOKOSA-N 1 0 371.489 2.081 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C=Cc2ccccc2-c2nn[nH]n2)CC1 ZINC000735398483 598361057 /nfs/dbraw/zinc/36/10/57/598361057.db2.gz HSMGZLKORONODQ-FPLPWBNLSA-N 1 0 352.442 2.037 20 30 FEEDRO C[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1)C(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000820414268 599390196 /nfs/dbraw/zinc/39/01/96/599390196.db2.gz XFJBDYZAAZHPPM-STQMWFEESA-N 1 0 361.409 2.416 20 30 FEEDRO COc1ccc(C[NH2+]Cc2ccc(OCC#N)cc2)cc1-c1nn[nH]n1 ZINC000821817897 599431543 /nfs/dbraw/zinc/43/15/43/599431543.db2.gz ASCTZRJKXNZQSO-UHFFFAOYSA-N 1 0 350.382 2.067 20 30 FEEDRO C=CC[N@@H+](CCC(=O)N1CCC[C@H]1C)Cc1cccc(-c2nn[nH]n2)c1 ZINC000819744136 599566580 /nfs/dbraw/zinc/56/65/80/599566580.db2.gz XLRUTMNDNHSUTI-OAHLLOKOSA-N 1 0 354.458 2.256 20 30 FEEDRO CC[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)c1ccccc1OC ZINC000808742971 674470314 /nfs/dbraw/zinc/47/03/14/674470314.db2.gz NJAORXSCQXZXFW-MRXNPFEDSA-N 1 0 359.451 2.476 20 30 FEEDRO CC[C@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)c1ccccc1OC ZINC000808742970 674470325 /nfs/dbraw/zinc/47/03/25/674470325.db2.gz NJAORXSCQXZXFW-INIZCTEOSA-N 1 0 359.451 2.476 20 30 FEEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]CC1CCN(S(=O)(=O)C(F)F)CC1)CC2 ZINC000810225805 674537508 /nfs/dbraw/zinc/53/75/08/674537508.db2.gz NAGOAFRHTPLZRK-MRXNPFEDSA-N 1 0 369.437 2.400 20 30 FEEDRO N#Cc1ccc(C[N@@H+](C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)C2CC2)cc1 ZINC000822825724 606890156 /nfs/dbraw/zinc/89/01/56/606890156.db2.gz MVSFZJXEHSEKDO-IBGZPJMESA-N 1 0 360.421 2.436 20 30 FEEDRO C#CC[N@H+]1CCC[C@H]1COC(=O)[C@H](NC(=O)OC(C)(C)C)C(F)(F)F ZINC000810573471 674551021 /nfs/dbraw/zinc/55/10/21/674551021.db2.gz RDMSRXXMCRHBCE-RYUDHWBXSA-N 1 0 364.364 2.083 20 30 FEEDRO C[C@H]([NH2+]CCC(=O)Nc1ccc(C#N)cc1)c1cccc(-c2nn[nH]n2)c1 ZINC000824584585 608487483 /nfs/dbraw/zinc/48/74/83/608487483.db2.gz CGQWHGHQYJUDCB-ZDUSSCGKSA-N 1 0 361.409 2.418 20 30 FEEDRO C[C@@H]([NH2+]CCC(=O)Nc1ccc(C#N)cc1)c1cccc(-c2nn[nH]n2)c1 ZINC000824584584 608487563 /nfs/dbraw/zinc/48/75/63/608487563.db2.gz CGQWHGHQYJUDCB-CYBMUJFWSA-N 1 0 361.409 2.418 20 30 FEEDRO Cn1cc(CC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c(Cl)n1 ZINC000814530310 674861462 /nfs/dbraw/zinc/86/14/62/674861462.db2.gz NVAZTCPHYDCJQD-UHFFFAOYSA-N 1 0 359.861 2.078 20 30 FEEDRO C#CCNC(=O)CC[NH2+][C@@H](CNC(=O)OC(C)(C)C)C1CCCCC1 ZINC000815083997 674914512 /nfs/dbraw/zinc/91/45/12/674914512.db2.gz MJQNOSLQASXUPD-INIZCTEOSA-N 1 0 351.491 2.189 20 30 FEEDRO C=C(C)C[NH+]1CCC(Nc2cc(S(=O)(=O)N3CCCC3)ccn2)CC1 ZINC000563711761 674931298 /nfs/dbraw/zinc/93/12/98/674931298.db2.gz BVVZGUGPZAZKSL-UHFFFAOYSA-N 1 0 364.515 2.319 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)[C@H]1C[N@H+](CC2CCCC2)C[C@@H]1O ZINC001047557059 674960168 /nfs/dbraw/zinc/96/01/68/674960168.db2.gz CWQWTIJEBDHEBQ-VJANTYMQSA-N 1 0 350.503 2.051 20 30 FEEDRO Cc1nsc(N[C@@H]2CC[C@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c1C#N ZINC001047569290 674960764 /nfs/dbraw/zinc/96/07/64/674960764.db2.gz WTILSUORQIRKTC-LXTVHRRPSA-N 1 0 361.515 2.360 20 30 FEEDRO Cc1nsc(NC[C@@H]2C[C@H](C)CCN2C(=O)[C@H]2CC[N@H+](C)C2)c1C#N ZINC001048176748 675006286 /nfs/dbraw/zinc/00/62/86/675006286.db2.gz PMDFRQLCCUOTME-SNPRPXQTSA-N 1 0 361.515 2.314 20 30 FEEDRO CC(C)[C@H]1OCCC[C@H]1C[NH2+]CCS(=O)(=O)c1cccc(C#N)c1 ZINC000564722880 675055222 /nfs/dbraw/zinc/05/52/22/675055222.db2.gz WNNVPRIQDLIGJO-FUHWJXTLSA-N 1 0 350.484 2.373 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)NCC(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000067129354 670454293 /nfs/dbraw/zinc/45/42/93/670454293.db2.gz ATRKEBVUKVUIKV-UHFFFAOYSA-N 1 0 368.264 2.393 20 30 FEEDRO C=C(Br)CNC(=O)NC[C@@H](C(CC)CC)[NH+]1CCOCC1 ZINC000069245472 670482536 /nfs/dbraw/zinc/48/25/36/670482536.db2.gz ZOBORAHSEMAQCS-AWEZNQCLSA-N 1 0 362.312 2.331 20 30 FEEDRO C[NH+]=C(NCCn1ccnc1)N(C)Cc1ccccc1Br ZINC000073742312 670506470 /nfs/dbraw/zinc/50/64/70/670506470.db2.gz XKWBRKRBOHMILQ-UHFFFAOYSA-N 1 0 350.264 2.353 20 30 FEEDRO C[NH+]=C(NC[C@@H]1CCCO1)N[C@@H]1CCN(c2cc(Cl)ccc2OC)C1 ZINC000083477888 670658017 /nfs/dbraw/zinc/65/80/17/670658017.db2.gz UBOAJYZUGOHYJI-CABCVRRESA-N 1 0 366.893 2.271 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)Cc2nsc3ccccc23)c1C#N ZINC000570447177 670715632 /nfs/dbraw/zinc/71/56/32/670715632.db2.gz VKUQAHNYGPMCRI-UHFFFAOYSA-N 1 0 354.439 2.224 20 30 FEEDRO C[NH+](C)Cc1ccc(CNS(=O)(=O)Cc2ccc(C#N)cc2)cc1F ZINC000570545896 670730605 /nfs/dbraw/zinc/73/06/05/670730605.db2.gz YSJNKZTZHRCJEO-UHFFFAOYSA-N 1 0 361.442 2.379 20 30 FEEDRO C[NH+](C)CCCOc1ccc(CNS(=O)(=O)CCC(C)(C)C#N)cc1 ZINC000570621887 670741006 /nfs/dbraw/zinc/74/10/06/670741006.db2.gz LTIQJKXWKWRNMI-UHFFFAOYSA-N 1 0 367.515 2.376 20 30 FEEDRO COC[C@@H](Cc1ccccc1)[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000571874652 670935128 /nfs/dbraw/zinc/93/51/28/670935128.db2.gz BRTKPKOVPAJESW-GOSISDBHSA-N 1 0 358.463 2.179 20 30 FEEDRO C[C@@H](Cc1cccc(Br)c1)[NH2+]C[C@H](O)CN(C)CCC#N ZINC000572223564 670974691 /nfs/dbraw/zinc/97/46/91/670974691.db2.gz GQBAKKYSRXTMNA-BBRMVZONSA-N 1 0 354.292 2.176 20 30 FEEDRO C#CC[N@H+]1CCC[C@@H]1COC(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCC1 ZINC000817716602 675164576 /nfs/dbraw/zinc/16/45/76/675164576.db2.gz OWBZQUWQVKNCRG-CVEARBPZSA-N 1 0 350.459 2.321 20 30 FEEDRO CN(CCC#N)C[C@H](O)C[NH2+][C@@H]1C[C@H]1c1ccccc1Br ZINC000574750907 671274435 /nfs/dbraw/zinc/27/44/35/671274435.db2.gz KLXZCHHYSXGFJT-IVMMDQJWSA-N 1 0 352.276 2.101 20 30 FEEDRO CC(C)C[C@@H](CN1CCCC1)[NH2+]CCS(=O)(=O)c1cccc(C#N)c1 ZINC000575796939 671321429 /nfs/dbraw/zinc/32/14/29/671321429.db2.gz KNCGSTLJDFKYOV-SFHVURJKSA-N 1 0 363.527 2.432 20 30 FEEDRO C[N@H+](CC1CC1)C[C@@H]1CCN(S(=O)(=O)Cc2ccc(CC#N)cc2)C1 ZINC000577277773 671584526 /nfs/dbraw/zinc/58/45/26/671584526.db2.gz YOPJZTCRCDBYAV-IBGZPJMESA-N 1 0 361.511 2.246 20 30 FEEDRO CC(C)(C[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)c1ccc(F)cc1 ZINC000580543542 671816765 /nfs/dbraw/zinc/81/67/65/671816765.db2.gz HQUDHSJKSATZFS-UHFFFAOYSA-N 1 0 361.442 2.433 20 30 FEEDRO C=CCN(CC=C)C(=O)[C@@H](C)[NH2+][C@H](C)c1cccc(NS(C)(=O)=O)c1 ZINC000119028163 671891180 /nfs/dbraw/zinc/89/11/80/671891180.db2.gz KEJMVWKINAFONQ-HUUCEWRRSA-N 1 0 365.499 2.298 20 30 FEEDRO CC[NH+](CC)CC#C[C@H](C)OC(=O)[C@H]1CSCN1C(=O)C1CCCC1 ZINC000121353423 671947123 /nfs/dbraw/zinc/94/71/23/671947123.db2.gz CLFICQOZJTUENN-DOTOQJQBSA-N 1 0 366.527 2.355 20 30 FEEDRO C=C[C@@](C)(O)CC(=O)NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000581973952 671954072 /nfs/dbraw/zinc/95/40/72/671954072.db2.gz KPMDNWCAQOKHGL-LJQANCHMSA-N 1 0 365.905 2.295 20 30 FEEDRO CN(C)[C@H](C[NH2+]C[C@H](O)COc1ccc(CC#N)cc1)c1ccsc1 ZINC000582565059 672013474 /nfs/dbraw/zinc/01/34/74/672013474.db2.gz GBQQYOBHOZVGLI-PKOBYXMFSA-N 1 0 359.495 2.446 20 30 FEEDRO C[C@@H]([NH3+])[C@@H]1CCCCN1S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000583142745 672067378 /nfs/dbraw/zinc/06/73/78/672067378.db2.gz JHSNPRBPZLXGCO-YGRLFVJLSA-N 1 0 372.288 2.211 20 30 FEEDRO CC[C@@H](CS(=O)(=O)c1ccccc1)NC(=[NH2+])NCCc1ccccc1 ZINC000130866105 672080854 /nfs/dbraw/zinc/08/08/54/672080854.db2.gz BGQLQKSNPJSHHL-KRWDZBQOSA-N 1 0 359.495 2.386 20 30 FEEDRO CC[NH+]=C(NCC1CCN(C(C)=O)CC1)N[C@@H]1C[C@](C)(OC)C1(C)C ZINC000130943274 672081534 /nfs/dbraw/zinc/08/15/34/672081534.db2.gz SWWLXINILYZKOW-APWZRJJASA-N 1 0 352.523 2.004 20 30 FEEDRO N#Cc1ccc(CN2CC[NH+](C[C@@H]3CCCO3)CC2)c(OC(F)F)c1 ZINC000610613371 675984359 /nfs/dbraw/zinc/98/43/59/675984359.db2.gz VZQOOBDNWHOCEH-INIZCTEOSA-N 1 0 351.397 2.456 20 30 FEEDRO Cc1ccccc1[C@H]([C@H](C)NS(=O)(=O)c1cncc(C#N)c1)[NH+](C)C ZINC000584498460 672193507 /nfs/dbraw/zinc/19/35/07/672193507.db2.gz QOARBTVTTRMMDQ-KSSFIOAISA-N 1 0 358.467 2.231 20 30 FEEDRO CS(=O)(=O)CCCCO[NH+]=C(N)c1ccc(N2CCCCC2)cc1 ZINC000154123224 672210812 /nfs/dbraw/zinc/21/08/12/672210812.db2.gz LLQWSFLIZCVTCZ-UHFFFAOYSA-N 1 0 353.488 2.139 20 30 FEEDRO C[NH+](C)C[C@@H]1CN(S(=O)(=O)c2cccc(C#N)c2)c2ccccc2O1 ZINC000610759579 675994829 /nfs/dbraw/zinc/99/48/29/675994829.db2.gz HYZGVHSKLWUWPR-OAHLLOKOSA-N 1 0 357.435 2.076 20 30 FEEDRO C[NH+]=C(NCc1ccc(C)nc1)N[C@@H]1CCN(c2ncccc2Cl)C1 ZINC000158954994 672274980 /nfs/dbraw/zinc/27/49/80/672274980.db2.gz XZBGHLNZXHUWGW-OAHLLOKOSA-N 1 0 358.877 2.382 20 30 FEEDRO [NH2+]=C(NCCc1ccccc1)NC[C@H](c1cccs1)N1CCOCC1 ZINC000170905974 672326890 /nfs/dbraw/zinc/32/68/90/672326890.db2.gz WKOCAGAJZQMKLM-QGZVFWFLSA-N 1 0 358.511 2.268 20 30 FEEDRO N#Cc1ccc(C[NH2+][C@H](CC(N)=O)C2CCOCC2)c(C(F)(F)F)c1 ZINC000589511436 672529892 /nfs/dbraw/zinc/52/98/92/672529892.db2.gz JPTNOZAVCWKNNS-OAHLLOKOSA-N 1 0 355.360 2.337 20 30 FEEDRO CCN(CC)C(=O)C[N@H+](C)CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000589921090 672547497 /nfs/dbraw/zinc/54/74/97/672547497.db2.gz RHVJPTIDVOJTHV-UHFFFAOYSA-N 1 0 350.850 2.340 20 30 FEEDRO COc1ccc(Cl)cc1NC(=O)CC[NH+]1CCN(CCC#N)CC1 ZINC000591020518 672642137 /nfs/dbraw/zinc/64/21/37/672642137.db2.gz JXGARKJCKZWAIO-UHFFFAOYSA-N 1 0 350.850 2.208 20 30 FEEDRO CN(CCC#N)C[C@@H](O)C[NH2+][C@@H]1CCc2cc(Br)ccc21 ZINC000591240885 672661279 /nfs/dbraw/zinc/66/12/79/672661279.db2.gz YOYYHPDWYBKCSK-GOEBONIOSA-N 1 0 352.276 2.232 20 30 FEEDRO N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)N[C@H]2CCC[NH2+]CC2)n1 ZINC000591297683 672666706 /nfs/dbraw/zinc/66/67/06/672666706.db2.gz GPEVLOUCBGNWKZ-AWEZNQCLSA-N 1 0 358.833 2.661 20 30 FEEDRO CN(CCC#N)C[C@@H](O)C[NH2+][C@@H]1CCc2c1cccc2Br ZINC000591733521 672706083 /nfs/dbraw/zinc/70/60/83/672706083.db2.gz BSMWQHBTVKUILW-BLLLJJGKSA-N 1 0 352.276 2.232 20 30 FEEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+]C[C@@H]2OCCc3ccccc32)c1 ZINC000591739517 672706639 /nfs/dbraw/zinc/70/66/39/672706639.db2.gz ASDKWBGPOIKTTJ-IBGZPJMESA-N 1 0 356.447 2.236 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+]C2CCc3ccccc3CC2)nc1 ZINC000591769846 672709912 /nfs/dbraw/zinc/70/99/12/672709912.db2.gz NCHFQDPLYNQQOA-UHFFFAOYSA-N 1 0 355.463 2.264 20 30 FEEDRO C[N@H+]1C[C@@H](c2ccccc2)[C@H](CNS(=O)(=O)c2ccc(C#N)s2)C1 ZINC000592088350 672752433 /nfs/dbraw/zinc/75/24/33/672752433.db2.gz HJTDSPLKCFLKHH-ZBFHGGJFSA-N 1 0 361.492 2.243 20 30 FEEDRO CC[C@@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)CC[C@@H]1[NH3+] ZINC000592381856 672794937 /nfs/dbraw/zinc/79/49/37/672794937.db2.gz HUYANKWYFDCBOS-YGRLFVJLSA-N 1 0 361.389 2.325 20 30 FEEDRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1Cc1ccc(C#N)cc1C(F)(F)F ZINC000592523134 672810667 /nfs/dbraw/zinc/81/06/67/672810667.db2.gz KADMKGPOXKJKIA-GFCCVEGCSA-N 1 0 354.376 2.129 20 30 FEEDRO C[C@@H]1[C@H](C(=O)N2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)CC[N@@H+]1C ZINC000592796335 672839611 /nfs/dbraw/zinc/83/96/11/672839611.db2.gz YQTLEEGWUWUEMW-ZTFGCOKTSA-N 1 0 360.889 2.389 20 30 FEEDRO CC(C)S(=O)(=O)CCCO[NH+]=Cc1ccc(N2CCOCC2)cc1 ZINC000255756556 672896446 /nfs/dbraw/zinc/89/64/46/672896446.db2.gz WGJVDZLTBYWFFR-UHFFFAOYSA-N 1 0 354.472 2.087 20 30 FEEDRO C[NH+]=C(NC[C@@H]1CCC[C@H](C(F)(F)F)C1)NC[C@@]1(O)CCSC1 ZINC000261699413 672901766 /nfs/dbraw/zinc/90/17/66/672901766.db2.gz JCIFFZVHEBZCGI-DYEKYZERSA-N 1 0 353.454 2.388 20 30 FEEDRO CC[NH+]=C(NC[C@]1(N2CCOCC2)CCSC1)N1CC[C@](C)(CC)C1 ZINC000261712680 672902059 /nfs/dbraw/zinc/90/20/59/672902059.db2.gz HJMXSIXELSZOIN-RBUKOAKNSA-N 1 0 368.591 2.282 20 30 FEEDRO C[NH+]=C(NC[C@@H]1CCCCO1)N[C@H]1CCN(c2ncccc2Cl)C1 ZINC000261827067 672903678 /nfs/dbraw/zinc/90/36/78/672903678.db2.gz VCZWQRMBUCBHHK-KBPBESRZSA-N 1 0 351.882 2.048 20 30 FEEDRO C[NH+]=C(NCc1ccc(-n2nc(C)cc2C)nc1)NC[C@H]1CCCS1 ZINC000261957246 672905985 /nfs/dbraw/zinc/90/59/85/672905985.db2.gz JDERCKZNZCTYNA-MRXNPFEDSA-N 1 0 358.515 2.445 20 30 FEEDRO CC[NH+]=C(NCc1c[nH]nc1C)N[C@H]1CCN(c2ncccc2Cl)C1 ZINC000261949345 672906075 /nfs/dbraw/zinc/90/60/75/672906075.db2.gz GVFGLWTZNWJCQT-AWEZNQCLSA-N 1 0 361.881 2.101 20 30 FEEDRO C[NH+]=C(NCCc1ccccn1)N[C@H]1CCN(c2ncccc2Cl)C1 ZINC000262014447 672907926 /nfs/dbraw/zinc/90/79/26/672907926.db2.gz XKKKSBUIXARPJR-HNNXBMFYSA-N 1 0 358.877 2.116 20 30 FEEDRO CC(C)[NH+]=C(NC[C@H]1CCS(=O)(=O)C1)N1CCC2(C1)CCCCC2 ZINC000262327406 672913468 /nfs/dbraw/zinc/91/34/68/672913468.db2.gz AFTLFEOFLKQRKG-MRXNPFEDSA-N 1 0 355.548 2.431 20 30 FEEDRO CC(C)[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000262341788 672913746 /nfs/dbraw/zinc/91/37/46/672913746.db2.gz CSEWBNAXJDQBAT-MWDXBVQZSA-N 1 0 355.548 2.334 20 30 FEEDRO CC(C)[NH+]=C(NC[C@H]1CCS(=O)(=O)C1)N1CCC(OC(C)(C)C)CC1 ZINC000262403052 672915107 /nfs/dbraw/zinc/91/51/07/672915107.db2.gz OBKJXVHYOXKFNC-OAHLLOKOSA-N 1 0 373.563 2.055 20 30 FEEDRO C[C@@H]1C[C@H](C)CN(C(NC[C@@H]2CCS(=O)(=O)C2)=[NH+]C2CCCC2)C1 ZINC000262477445 672916915 /nfs/dbraw/zinc/91/69/15/672916915.db2.gz ZZTDKBPPODOFAT-XHSDSOJGSA-N 1 0 355.548 2.287 20 30 FEEDRO [NH2+]=C(NCCc1nc(-c2ccc(Cl)cc2)no1)N1CCSCC1 ZINC000262534292 672917442 /nfs/dbraw/zinc/91/74/42/672917442.db2.gz OZTLDZFMUZDNPH-UHFFFAOYSA-N 1 0 351.863 2.296 20 30 FEEDRO CSC1(CNC(=[NH2+])N2CCN(c3ccc(F)cc3)CC2)CCOCC1 ZINC000262553712 672918124 /nfs/dbraw/zinc/91/81/24/672918124.db2.gz ZXXCBYPTTSAOAZ-UHFFFAOYSA-N 1 0 366.506 2.175 20 30 FEEDRO C[C@H]1CN([C@H](CNC2=[NH+]CCN2C)c2c(F)cccc2Cl)CCO1 ZINC000262690247 672919050 /nfs/dbraw/zinc/91/90/50/672919050.db2.gz ZYVWOFMFDPNKEN-SWLSCSKDSA-N 1 0 354.857 2.132 20 30 FEEDRO CSc1nnc(CNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)s1 ZINC000262792801 672921015 /nfs/dbraw/zinc/92/10/15/672921015.db2.gz OLLURFKLBRLJKP-UHFFFAOYSA-N 1 0 351.457 2.348 20 30 FEEDRO C[C@H]1C[C@@H](NC(=O)Cc2ccc(Br)cc2C#N)CC[N@@H+]1C ZINC000593486374 672929857 /nfs/dbraw/zinc/92/98/57/672929857.db2.gz URJLVUHKFNXBQZ-NHYWBVRUSA-N 1 0 350.260 2.462 20 30 FEEDRO CCO[C@H](CC[NH+](C)C)CNS(=O)(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000593558153 672942576 /nfs/dbraw/zinc/94/25/76/672942576.db2.gz FFPIKWJGUWAGOP-MRXNPFEDSA-N 1 0 367.515 2.123 20 30 FEEDRO C=CC[C@@H]1CC[C@H]([NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000593591452 672952865 /nfs/dbraw/zinc/95/28/65/672952865.db2.gz IXNFHQXSFQNUBK-KGLIPLIRSA-N 1 0 353.444 2.208 20 30 FEEDRO CSc1cc(NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C)ccc1C ZINC000593593374 672953443 /nfs/dbraw/zinc/95/34/43/672953443.db2.gz ACNFRWFPUCRQOQ-UHFFFAOYSA-N 1 0 362.499 2.349 20 30 FEEDRO CCO[C@@H]1CN(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C[C@H]1C[NH3+] ZINC000593761063 672988645 /nfs/dbraw/zinc/98/86/45/672988645.db2.gz WGVIFBNVPAJYEZ-BXUZGUMPSA-N 1 0 356.348 2.405 20 30 FEEDRO CCc1cccc(NC(=[NH2+])NCc2ccc(CS(=O)(=O)NC)cc2)c1 ZINC000303778065 673017348 /nfs/dbraw/zinc/01/73/48/673017348.db2.gz JIHJQUNNTWJFKP-UHFFFAOYSA-N 1 0 360.483 2.225 20 30 FEEDRO [NH2+]=C(NCCCN1C(=O)COc2ccccc21)NCCc1cccs1 ZINC000304749065 673020181 /nfs/dbraw/zinc/02/01/81/673020181.db2.gz HKRMLQREDVMDDI-UHFFFAOYSA-N 1 0 358.467 2.011 20 30 FEEDRO C[NH+]=C(NCCN1CCOCC1)NCC(C)(C)c1ccc(F)cc1Cl ZINC000304547545 673020201 /nfs/dbraw/zinc/02/02/01/673020201.db2.gz UAKNUDBSTUACNE-UHFFFAOYSA-N 1 0 370.900 2.254 20 30 FEEDRO CC(C)(C)OC(=O)N[C@H](CNC(=[NH2+])NCCc1cccs1)C1CC1 ZINC000305752318 673021913 /nfs/dbraw/zinc/02/19/13/673021913.db2.gz SLSRZRBNOAJEEP-CQSZACIVSA-N 1 0 352.504 2.498 20 30 FEEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000594071761 673028506 /nfs/dbraw/zinc/02/85/06/673028506.db2.gz QYXUMMSLMBZLST-SOUVJXGZSA-N 1 0 360.483 2.364 20 30 FEEDRO N#Cc1ccc(Cl)c(NC(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c1 ZINC000594325724 673058669 /nfs/dbraw/zinc/05/86/69/673058669.db2.gz ITEHOFJXXVESPS-ZBFHGGJFSA-N 1 0 360.845 2.283 20 30 FEEDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CCN(Cc2cscn2)CC1 ZINC000328800856 673066832 /nfs/dbraw/zinc/06/68/32/673066832.db2.gz ITLMCXPDGYKILE-CVEARBPZSA-N 1 0 365.547 2.295 20 30 FEEDRO CCS(=O)(=O)Nc1ccc(NC(=O)[C@H]([NH3+])CCCCC#N)cc1C ZINC000594429568 673070681 /nfs/dbraw/zinc/07/06/81/673070681.db2.gz UGZOZCXCIUKWNE-CQSZACIVSA-N 1 0 352.460 2.106 20 30 FEEDRO CCN(CC(=O)Nc1c(F)cccc1F)C(=O)[C@H]([NH3+])CCCCC#N ZINC000594424975 673070687 /nfs/dbraw/zinc/07/06/87/673070687.db2.gz FLTNZOOFBQUDBH-CQSZACIVSA-N 1 0 352.385 2.163 20 30 FEEDRO N#CCCCC[C@@H]([NH3+])C(=O)NC[C@@H](O)COc1cccc(Cl)c1Cl ZINC000594431939 673071400 /nfs/dbraw/zinc/07/14/00/673071400.db2.gz SWOZSYTYZZLKAP-DGCLKSJQSA-N 1 0 374.268 2.261 20 30 FEEDRO CC(C)S(=O)(=O)Cc1cccc(NC(=O)[C@H]([NH3+])CCCCC#N)c1 ZINC000594434251 673071439 /nfs/dbraw/zinc/07/14/39/673071439.db2.gz LXJZXXQPCBZVLS-MRXNPFEDSA-N 1 0 351.472 2.360 20 30 FEEDRO CSCC[C@H](NC(=O)[C@H]([NH3+])CCCCC#N)c1nnc2ccccn21 ZINC000594440613 673071753 /nfs/dbraw/zinc/07/17/53/673071753.db2.gz HAFRORKGDFQYLZ-KGLIPLIRSA-N 1 0 360.487 2.051 20 30 FEEDRO C[C@H](NC(=O)NCC1([NH+]2CCOCC2)CCCCC1)[C@H]1CCCCO1 ZINC000329431366 673077106 /nfs/dbraw/zinc/07/71/06/673077106.db2.gz ILQDIOPJBRBAJM-DLBZAZTESA-N 1 0 353.507 2.483 20 30 FEEDRO O=C(NCC1([NH+]2CCSCC2)CCCCC1)N1CCn2ccnc2C1 ZINC000329469758 673077909 /nfs/dbraw/zinc/07/79/09/673077909.db2.gz XRKCNUZELBOABL-UHFFFAOYSA-N 1 0 363.531 2.364 20 30 FEEDRO C[NH+](C)[C@H]1C[C@@H](CNS(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)C1 ZINC000594476628 673083166 /nfs/dbraw/zinc/08/31/66/673083166.db2.gz VHWPGOXUYZLDMK-GSJFWJNXSA-N 1 0 361.389 2.196 20 30 FEEDRO O=C(NCc1nc(C(F)(F)F)n[nH]1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000330130525 673085828 /nfs/dbraw/zinc/08/58/28/673085828.db2.gz PCWCVWXLEUMBJQ-NSHDSACASA-N 1 0 360.384 2.188 20 30 FEEDRO N#Cc1ccc(OC2CCN(C(=O)N[C@H](C[NH3+])C(F)(F)F)CC2)cc1 ZINC000594524577 673095001 /nfs/dbraw/zinc/09/50/01/673095001.db2.gz KPYJQGQMOVBCSG-CQSZACIVSA-N 1 0 356.348 2.001 20 30 FEEDRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1c1cc(Br)c(C#N)cc1F ZINC000594585891 673103071 /nfs/dbraw/zinc/10/30/71/673103071.db2.gz GUAHDACXRBJQHR-JTQLQIEISA-N 1 0 369.238 2.016 20 30 FEEDRO C=CCCn1cc(C[NH2+]CC2(C(=O)OC(C)(C)C)CCOCC2)nn1 ZINC000594949473 673179784 /nfs/dbraw/zinc/17/97/84/673179784.db2.gz DQIQWEWFGHRPQM-UHFFFAOYSA-N 1 0 350.463 2.082 20 30 FEEDRO C=CCNC(=O)C[NH2+][C@@H]1CCc2ccc(I)cc21 ZINC000595028206 673187523 /nfs/dbraw/zinc/18/75/23/673187523.db2.gz VHAYMEUWCMXGEL-CYBMUJFWSA-N 1 0 356.207 2.170 20 30 FEEDRO C#CC[N@H+]1CCC[C@@H]1COC(=O)C1CCN(C(=O)OCC(C)C)CC1 ZINC000729812032 673249352 /nfs/dbraw/zinc/24/93/52/673249352.db2.gz JTBRPWIRLQQDII-QGZVFWFLSA-N 1 0 350.459 2.132 20 30 FEEDRO CC(C)C[NH2+]C1(CO)CCN(CCC(=O)Nc2sccc2C#N)CC1 ZINC000595510424 673259218 /nfs/dbraw/zinc/25/92/18/673259218.db2.gz CECXKJUYLMKZOD-UHFFFAOYSA-N 1 0 364.515 2.021 20 30 FEEDRO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000595608823 673273247 /nfs/dbraw/zinc/27/32/47/673273247.db2.gz XAMKAGZACPDVQI-QWHCGFSZSA-N 1 0 358.833 2.152 20 30 FEEDRO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000595608824 673273519 /nfs/dbraw/zinc/27/35/19/673273519.db2.gz XAMKAGZACPDVQI-STQMWFEESA-N 1 0 358.833 2.152 20 30 FEEDRO CO[C@@H]1CCC[C@@H]([C@@H](CO)[NH2+]CC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000595631683 673276313 /nfs/dbraw/zinc/27/63/13/673276313.db2.gz JWNAGLUBXQLBDE-SRCQZFHVSA-N 1 0 365.861 2.306 20 30 FEEDRO N#Cc1nc(NCCCN2CCN(c3cc[nH+]cc3)CC2)sc1Cl ZINC000596097004 673358366 /nfs/dbraw/zinc/35/83/66/673358366.db2.gz BTEASMKJWAQBIM-UHFFFAOYSA-N 1 0 362.890 2.687 20 30 FEEDRO N#Cc1sccc1N1CCN(C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000596151316 673363290 /nfs/dbraw/zinc/36/32/90/673363290.db2.gz HHKWQYCRZNAXBG-LSDHHAIUSA-N 1 0 359.499 2.078 20 30 FEEDRO N#Cc1cccc(CNC(=O)C[N@H+](C[C@@H]2CCCO2)[C@@H]2CCSC2)c1 ZINC000536348179 673368279 /nfs/dbraw/zinc/36/82/79/673368279.db2.gz HHIYFSYDFDFHBS-MSOLQXFVSA-N 1 0 359.495 2.161 20 30 FEEDRO C[N@H+](CCC(=O)Nc1sccc1C#N)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000732809862 673384122 /nfs/dbraw/zinc/38/41/22/673384122.db2.gz HKKMVGDJPWRIKQ-NSHDSACASA-N 1 0 374.388 2.043 20 30 FEEDRO N#Cc1ccc(C[NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)cc1 ZINC000733330691 673410066 /nfs/dbraw/zinc/41/00/66/673410066.db2.gz IYSHBUUYGHBMJM-UHFFFAOYSA-N 1 0 355.463 2.083 20 30 FEEDRO COC1CC[NH+](C(C)(C)CNC(=O)c2cc(F)c(C#N)c(F)c2)CC1 ZINC000597174538 673453604 /nfs/dbraw/zinc/45/36/04/673453604.db2.gz XNIXKDMVCMCFLU-UHFFFAOYSA-N 1 0 351.397 2.456 20 30 FEEDRO CS[C@@H]1CN(C(=O)c2cc(F)c(C#N)c(F)c2)C[C@H]1[NH+]1CCCC1 ZINC000597507689 673483418 /nfs/dbraw/zinc/48/34/18/673483418.db2.gz RSPADOGTUDGTQI-HZPDHXFCSA-N 1 0 351.422 2.488 20 30 FEEDRO C[C@@H](CCNC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)[NH+](C)C ZINC000597994064 673528029 /nfs/dbraw/zinc/52/80/29/673528029.db2.gz XQJSGRGCIKWQAX-JSGCOSHPSA-N 1 0 362.861 2.021 20 30 FEEDRO C=CCCOCCCCC(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000540515899 673544974 /nfs/dbraw/zinc/54/49/74/673544974.db2.gz IKVQORWBAVTNHP-RBUKOAKNSA-N 1 0 351.535 2.234 20 30 FEEDRO CS[C@@H]1CN([C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C[C@@H]1[NH+](C)C ZINC000540589131 673548361 /nfs/dbraw/zinc/54/83/61/673548361.db2.gz OETCJKZQXPFYKU-MYTOGIIISA-N 1 0 366.575 2.283 20 30 FEEDRO CC(C)[C@H]1CN(C(=O)COc2ccc(C#N)c(Br)c2)CC[NH2+]1 ZINC000598575702 673585318 /nfs/dbraw/zinc/58/53/18/673585318.db2.gz WHDJSFNOMABKBW-OAHLLOKOSA-N 1 0 366.259 2.156 20 30 FEEDRO CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](C[C@H](O)CC(C)(C)C#N)C1 ZINC000598596482 673587552 /nfs/dbraw/zinc/58/75/52/673587552.db2.gz SCMJUTNAJRSKNU-ZIAGYGMSSA-N 1 0 363.424 2.410 20 30 FEEDRO N#Cc1cc(S(=O)(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)ccc1C(F)(F)F ZINC000598723801 673603466 /nfs/dbraw/zinc/60/34/66/673603466.db2.gz HSJHOMXNPCISSM-BXUZGUMPSA-N 1 0 359.373 2.079 20 30 FEEDRO CC(C)(C#N)C[C@H](O)C[NH2+]C[C@H](CO)Cc1cccc(Br)c1 ZINC000598729589 673603965 /nfs/dbraw/zinc/60/39/65/673603965.db2.gz LLVYORJRJVILHB-ZBFHGGJFSA-N 1 0 369.303 2.490 20 30 FEEDRO C=CCSCC[NH2+]Cc1c[nH]nc1CN1C(=O)c2ccccc2C1=O ZINC000598961923 673625373 /nfs/dbraw/zinc/62/53/73/673625373.db2.gz CDBRCTKTKREAQB-UHFFFAOYSA-N 1 0 356.451 2.215 20 30 FEEDRO Cc1ccc(C#N)cc1S(=O)(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000599104747 673633518 /nfs/dbraw/zinc/63/35/18/673633518.db2.gz XFFJAGLMYVXDOY-OLZOCXBDSA-N 1 0 361.389 2.015 20 30 FEEDRO C[C@H]([NH2+]C[C@H](O)CC1(C#N)CCOCC1)c1ccc([S@](C)=O)cc1 ZINC000599352588 673662831 /nfs/dbraw/zinc/66/28/31/673662831.db2.gz CYSGPCVSGJJASZ-RLZCXYDISA-N 1 0 350.484 2.146 20 30 FEEDRO COC[C@@H]([NH2+]C[C@H](O)CC1(C#N)CCOCC1)c1ccc(F)c(F)c1 ZINC000599354572 673663175 /nfs/dbraw/zinc/66/31/75/673663175.db2.gz QJSQQUDZIDRIHY-RHSMWYFYSA-N 1 0 354.397 2.313 20 30 FEEDRO N#CC1(C[C@@H](O)C[NH2+][C@@H](CCO)c2ccc(Cl)cc2)CCOCC1 ZINC000599418753 673673396 /nfs/dbraw/zinc/67/33/96/673673396.db2.gz WFTFSCGTXSIYPM-SJORKVTESA-N 1 0 352.862 2.424 20 30 FEEDRO C=CCNC(=O)NC(=O)C[NH2+][C@@H](CCO)c1cc(Cl)cc(Cl)c1 ZINC000599664631 673703782 /nfs/dbraw/zinc/70/37/82/673703782.db2.gz DTONIQQPWBMZAP-ZDUSSCGKSA-N 1 0 360.241 2.018 20 30 FEEDRO N#Cc1c2c(sc1NC(=O)CCN1CC[NH+](CCCF)CC1)CCC2 ZINC000599672831 673705049 /nfs/dbraw/zinc/70/50/49/673705049.db2.gz WCRKFGHUNKYCMN-UHFFFAOYSA-N 1 0 364.490 2.414 20 30 FEEDRO CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)Nc1ccccc1SCCC#N ZINC000599887421 673726350 /nfs/dbraw/zinc/72/63/50/673726350.db2.gz DAFPXYIONDLBBR-HNNXBMFYSA-N 1 0 360.483 2.087 20 30 FEEDRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000599895865 673726924 /nfs/dbraw/zinc/72/69/24/673726924.db2.gz FEBLJPDOCMVVSZ-HZSPNIEDSA-N 1 0 360.483 2.134 20 30 FEEDRO N#Cc1ccc(CNC(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c(F)c1 ZINC000599911726 673727655 /nfs/dbraw/zinc/72/76/55/673727655.db2.gz FKECBMCEWOAYLD-STQMWFEESA-N 1 0 358.339 2.366 20 30 FEEDRO Cc1cc(Br)ccc1NC(=O)C[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000600714444 673793834 /nfs/dbraw/zinc/79/38/34/673793834.db2.gz MFDYNYPAJQNIBZ-ZDUSSCGKSA-N 1 0 366.259 2.340 20 30 FEEDRO CC(C)(C#N)C[C@@H](O)C[NH2+][C@H]1CCN(c2ccc(Cl)cc2F)C1=O ZINC000600763401 673797344 /nfs/dbraw/zinc/79/73/44/673797344.db2.gz VBRLKWVWDFFPHB-OCCSQVGLSA-N 1 0 353.825 2.475 20 30 FEEDRO C[N@@H+]1CC[C@H](Cn2nnnc2Sc2ncc(C#N)c3ccsc32)C1 ZINC000601130830 673827720 /nfs/dbraw/zinc/82/77/20/673827720.db2.gz PEJNPZFGNSKBPX-JTQLQIEISA-N 1 0 357.468 2.257 20 30 FEEDRO CC(F)(F)CCS(=O)(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000601293641 673838721 /nfs/dbraw/zinc/83/87/21/673838721.db2.gz AXKZICPZCNFPFX-UHFFFAOYSA-N 1 0 371.453 2.441 20 30 FEEDRO Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000601374144 673850912 /nfs/dbraw/zinc/85/09/12/673850912.db2.gz BHCMFXGYJGRTSO-XJKSGUPXSA-N 1 0 351.447 2.111 20 30 FEEDRO CC1([NH+]2CCCC2)CCN(S(=O)(=O)Cc2ccc(C#N)cc2F)CC1 ZINC000601496696 673870464 /nfs/dbraw/zinc/87/04/64/673870464.db2.gz JGMGREVDPTUDRM-UHFFFAOYSA-N 1 0 365.474 2.477 20 30 FEEDRO N#CCCSc1ccccc1NC(=O)C(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000601576965 673883627 /nfs/dbraw/zinc/88/36/27/673883627.db2.gz PBCGUQCFULADFX-CQSZACIVSA-N 1 0 360.483 2.361 20 30 FEEDRO CCO[C@@H]1COCC[C@H]1[NH2+][C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000547883941 673897017 /nfs/dbraw/zinc/89/70/17/673897017.db2.gz ZUAVCMUUTFKXFX-NILFDRSVSA-N 1 0 363.483 2.219 20 30 FEEDRO C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000602539573 673907748 /nfs/dbraw/zinc/90/77/48/673907748.db2.gz IZIZTLAGYSZEKC-LNSITVRQSA-N 1 0 355.360 2.311 20 30 FEEDRO CC(C)[NH+]1CCN([C@H]2CCN(C(=O)c3ccc(C#N)c(Cl)c3)C2)CC1 ZINC000547984394 673911843 /nfs/dbraw/zinc/91/18/43/673911843.db2.gz VKMSYFLLCCMQRO-KRWDZBQOSA-N 1 0 360.889 2.452 20 30 FEEDRO N#Cc1ccc(Br)c(Cn2cc([C@@H]([NH3+])[C@H]3CCCO3)nn2)c1 ZINC000603242355 673919468 /nfs/dbraw/zinc/91/94/68/673919468.db2.gz SYJNPVOWWOTPLP-HUUCEWRRSA-N 1 0 362.231 2.139 20 30 FEEDRO CC[NH2+]Cc1ccn(Cc2cn(Cc3ccc(Cl)cc3C#N)nn2)n1 ZINC000603241880 673919611 /nfs/dbraw/zinc/91/96/11/673919611.db2.gz BUXMLYZSSOFYQB-UHFFFAOYSA-N 1 0 355.833 2.206 20 30 FEEDRO C=C[C@@H](CC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccccc1 ZINC000566293434 675201623 /nfs/dbraw/zinc/20/16/23/675201623.db2.gz SKXBUYPIEUFWEY-GOEBONIOSA-N 1 0 355.404 2.299 20 30 FEEDRO C#CC[N@@H+](C)CCCNC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1CC ZINC000818602914 675227838 /nfs/dbraw/zinc/22/78/38/675227838.db2.gz JMSRAYYDAVVHBZ-CVEARBPZSA-N 1 0 351.491 2.093 20 30 FEEDRO C[C@H]1CN(CCS(=O)(=O)c2cccc(C#N)c2)CC[N@@H+](C2CCC2)C1 ZINC000567210081 675275675 /nfs/dbraw/zinc/27/56/75/675275675.db2.gz SFQSFWPFDIGZEO-INIZCTEOSA-N 1 0 361.511 2.138 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+]C[C@H](CO)CC2CCCC2)cc1 ZINC000567352953 675286749 /nfs/dbraw/zinc/28/67/49/675286749.db2.gz TVEPJJXRERWTEN-QGZVFWFLSA-N 1 0 350.484 2.110 20 30 FEEDRO C[C@@H]1C[NH+](C)C[C@@H](C)N1C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C ZINC000819429683 675289749 /nfs/dbraw/zinc/28/97/49/675289749.db2.gz RZGBCPZNOLOVDM-RBSFLKMASA-N 1 0 352.479 2.125 20 30 FEEDRO C[NH+](C)CC1(NC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)CCC1 ZINC000819521413 675296043 /nfs/dbraw/zinc/29/60/43/675296043.db2.gz GILSXHVJCNDYHE-AWEZNQCLSA-N 1 0 352.479 2.174 20 30 FEEDRO N#Cc1ccc(CNC(=O)NC2CC[NH+](Cc3ccncc3)CC2)s1 ZINC000567487906 675297570 /nfs/dbraw/zinc/29/75/70/675297570.db2.gz QQTOZRZYECLIQL-UHFFFAOYSA-N 1 0 355.467 2.479 20 30 FEEDRO C[C@@H](C[NH2+]C[C@H](O)CN(C)CCC#N)Oc1cccc(Br)c1 ZINC000567684743 675312354 /nfs/dbraw/zinc/31/23/54/675312354.db2.gz OITRZYNIQQDJSN-ZFWWWQNUSA-N 1 0 370.291 2.012 20 30 FEEDRO C[C@H](Cc1cc(Br)ccc1F)[NH2+]C[C@@H](O)CN(C)CCC#N ZINC000567891911 675333304 /nfs/dbraw/zinc/33/33/04/675333304.db2.gz YOFITASIMFMRLW-IUODEOHRSA-N 1 0 372.282 2.315 20 30 FEEDRO C[C@@H](Cc1cc(Br)ccc1F)[NH2+]C[C@H](O)CN(C)CCC#N ZINC000567891913 675333363 /nfs/dbraw/zinc/33/33/63/675333363.db2.gz YOFITASIMFMRLW-WFASDCNBSA-N 1 0 372.282 2.315 20 30 FEEDRO C#C[C@H](NC(=O)N1C[C@H](C)[N@@H+](CCO)C[C@@H]1C)c1ccc(Cl)cc1F ZINC000820755116 675385452 /nfs/dbraw/zinc/38/54/52/675385452.db2.gz GXMZWLGMGYLIBZ-DCGLDWPTSA-N 1 0 367.852 2.250 20 30 FEEDRO C#CCN(CC(=O)NC[C@H](C)[N@@H+]1CCCC[C@@H]1C)C(=O)OC(C)(C)C ZINC000821986750 675462388 /nfs/dbraw/zinc/46/23/88/675462388.db2.gz WXTXGGMJODVLJJ-HOTGVXAUSA-N 1 0 351.491 2.236 20 30 FEEDRO N#CCSCCC[NH+]1CCC(Oc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000822815536 675508673 /nfs/dbraw/zinc/50/86/73/675508673.db2.gz SLKOMQYURWJFKW-UHFFFAOYSA-N 1 0 358.471 2.357 20 30 FEEDRO C=CCS(=O)(=O)CC[NH2+]C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000824142729 675585817 /nfs/dbraw/zinc/58/58/17/675585817.db2.gz PHAWJVNKFOTXJZ-LSDHHAIUSA-N 1 0 360.520 2.212 20 30 FEEDRO N#CC1(C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)CCSCC1 ZINC000825046004 675634890 /nfs/dbraw/zinc/63/48/90/675634890.db2.gz DTBNSUUDMDGBTJ-UHFFFAOYSA-N 1 0 358.511 2.447 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)c2c(Br)nc3n2CCC3)CC1 ZINC000825746913 675666922 /nfs/dbraw/zinc/66/69/22/675666922.db2.gz NJMVUVAZSCOGBN-UHFFFAOYSA-N 1 0 367.291 2.362 20 30 FEEDRO C=CCN1C(=S)N=NC1c1sc(NC(=O)[C@@H]([NH3+])CC(F)F)nc1C ZINC000826531962 675690601 /nfs/dbraw/zinc/69/06/01/675690601.db2.gz QCZMEBPUUFOJCG-ZETCQYMHSA-N 1 0 374.442 2.106 20 30 FEEDRO C#CCN(CC(=O)N(C)[C@@H]1CC[N@@H+](CC)[C@@H](C)C1)C(=O)OC(C)(C)C ZINC000828490357 675823435 /nfs/dbraw/zinc/82/34/35/675823435.db2.gz CSWCXPZBZZEAFV-JKSUJKDBSA-N 1 0 351.491 2.188 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2c(C(F)(F)F)cnn2C)CC1 ZINC000623579216 676541842 /nfs/dbraw/zinc/54/18/42/676541842.db2.gz RVNARILURMKMIS-UHFFFAOYSA-N 1 0 359.396 2.279 20 30 FEEDRO C=CC[C@H]1N(S(=O)(=O)CCCN2CC[NH+](C)CC2)CCCC1(C)C ZINC000632281595 676985361 /nfs/dbraw/zinc/98/53/61/676985361.db2.gz CVXHXJWMTOKOGB-QGZVFWFLSA-N 1 0 357.564 2.020 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)c2cc(Br)cc(OC)c2)CC1 ZINC000830162355 677028131 /nfs/dbraw/zinc/02/81/31/677028131.db2.gz JDWKDQOZKYQWFS-UHFFFAOYSA-N 1 0 351.244 2.285 20 30 FEEDRO C=CCNS(=O)(=O)c1ccccc1N1CCN(Cc2ccco2)CC1 ZINC000641268169 677198394 /nfs/dbraw/zinc/19/83/94/677198394.db2.gz GZDDTBRLALMXEW-UHFFFAOYSA-N 1 0 361.467 2.066 20 30 FEEDRO COCCOc1ccc(C#N)cc1NC(=S)NCC1CC[NH+](C)CC1 ZINC000760510351 680690855 /nfs/dbraw/zinc/69/08/55/680690855.db2.gz LNWOBUGDCAJTES-UHFFFAOYSA-N 1 0 362.499 2.212 20 30 FEEDRO C[C@H]1CC(=NNC(=S)NC2CC[NH+](Cc3ccccc3)CC2)CN1C ZINC000761802066 680731847 /nfs/dbraw/zinc/73/18/47/680731847.db2.gz SUFOFGZAINIBMF-HNNXBMFYSA-N 1 0 359.543 2.195 20 30 FEEDRO C=CC[C@@H]1CCCC[C@H]1NC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000659537784 678187221 /nfs/dbraw/zinc/18/72/21/678187221.db2.gz IEZSOJMNVVDGHI-KFWWJZLASA-N 1 0 362.440 2.257 20 30 FEEDRO CCC(Cc1ccc(OC)c(OC)c1)=NNC(=S)NCCC[NH+](C)C ZINC000763362914 680781051 /nfs/dbraw/zinc/78/10/51/680781051.db2.gz IKXNGBPLVIIGDN-UHFFFAOYSA-N 1 0 366.531 2.428 20 30 FEEDRO C[N@H+](CCCOc1cccc(C#N)c1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000763410271 680782466 /nfs/dbraw/zinc/78/24/66/680782466.db2.gz JOIPEMHZDGJTEP-HNNXBMFYSA-N 1 0 355.360 2.422 20 30 FEEDRO CN([C@@H](C[NH3+])C(F)(F)F)S(=O)(=O)c1ccc(C(F)(F)F)cc1F ZINC000663308712 678721798 /nfs/dbraw/zinc/72/17/98/678721798.db2.gz FVAZSPMQDKZPHQ-VIFPVBQESA-N 1 0 368.274 2.355 20 30 FEEDRO C=CCN(C(=O)NCC1CC[NH+](C2CCOCC2)CC1)[C@H](C)COC ZINC000665461993 678961331 /nfs/dbraw/zinc/96/13/31/678961331.db2.gz BWGZBXHKVQWLOD-MRXNPFEDSA-N 1 0 353.507 2.110 20 30 FEEDRO C=CCn1c(CC(F)(F)F)nnc1N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000669046774 679217040 /nfs/dbraw/zinc/21/70/40/679217040.db2.gz IVRRCZOWGRPNTO-ZDUSSCGKSA-N 1 0 361.412 2.116 20 30 FEEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)Nc1ccc(Oc2ccc(Cl)nn2)cc1 ZINC000841115709 680864176 /nfs/dbraw/zinc/86/41/76/680864176.db2.gz IGCUNVOIYZEYRU-GWCFXTLKSA-N 1 0 358.789 2.155 20 30 FEEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)Nc1ccc(Oc2ccc(Cl)nn2)cc1 ZINC000841115712 680864210 /nfs/dbraw/zinc/86/42/10/680864210.db2.gz IGCUNVOIYZEYRU-ZWNOBZJWSA-N 1 0 358.789 2.155 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCCC2CCOCC2)C1 ZINC001014466502 680037061 /nfs/dbraw/zinc/03/70/61/680037061.db2.gz CMTQFNASNSLDSK-OTWHNJEPSA-N 1 0 350.503 2.365 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1nnnn1-c1ccc(OC(F)F)cc1 ZINC000831829701 680049151 /nfs/dbraw/zinc/04/91/51/680049151.db2.gz MWANHZBPQKPVRC-KGLIPLIRSA-N 1 0 351.357 2.087 20 30 FEEDRO N#Cc1ccc(C[N@@H+]2CC[C@@]3(NC(=O)[C@]45C[C@H]4COC5)CCC[C@H]23)s1 ZINC000990821195 680074836 /nfs/dbraw/zinc/07/48/36/680074836.db2.gz XXXKKGVKIOGNGJ-FDARSICLSA-N 1 0 357.479 2.269 20 30 FEEDRO N#Cc1ccc(C[N@@H+]2CC[C@]3(NC(=O)[C@]45C[C@H]4COC5)CCC[C@@H]23)s1 ZINC000990821207 680075289 /nfs/dbraw/zinc/07/52/89/680075289.db2.gz XXXKKGVKIOGNGJ-KRDRHDLTSA-N 1 0 357.479 2.269 20 30 FEEDRO C=C(C)C[N@@H+]1CC[C@]2(NC(=O)[C@@H]3OCCO[C@@H]3C(F)(F)F)CCC[C@H]12 ZINC000991383716 680080148 /nfs/dbraw/zinc/08/01/48/680080148.db2.gz IYHIUPLWKUXEAU-KNCOVGOOSA-N 1 0 362.392 2.022 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@]12CCC[C@@H]1[N@H+](CCc1ccns1)CC2 ZINC000992242442 680098047 /nfs/dbraw/zinc/09/80/47/680098047.db2.gz RNKDLLUSTGWVLL-VUHPKUFZSA-N 1 0 361.511 2.390 20 30 FEEDRO C=C(Cl)C(C)(C)C(=O)N1C[C@@H]2CCN(C(=O)[C@H](CC)[NH+](C)C)[C@@H]2C1 ZINC001022224131 680203620 /nfs/dbraw/zinc/20/36/20/680203620.db2.gz MWBZZJVEVNOLIL-SOUVJXGZSA-N 1 0 355.910 2.165 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[N@@H+](C[C@@H]2CC(C)(C)CO2)CC1 ZINC000981190079 680219699 /nfs/dbraw/zinc/21/96/99/680219699.db2.gz ORLDBCMWRJYNPG-KSZLIROESA-N 1 0 350.503 2.317 20 30 FEEDRO C=CCN(CC=C)C(=O)C[N@H+]1C[C@H](CNC(=O)OC(C)(C)C)C[C@@H]1C ZINC000752084836 680222598 /nfs/dbraw/zinc/22/25/98/680222598.db2.gz XUVBLHOHWRBEBY-HOTGVXAUSA-N 1 0 351.491 2.422 20 30 FEEDRO C#CCNC(=O)C1CC[NH+](Cc2cccc(SC(=O)N(C)C)c2)CC1 ZINC000752282308 680234089 /nfs/dbraw/zinc/23/40/89/680234089.db2.gz MCPSRFNZLCPUIV-UHFFFAOYSA-N 1 0 359.495 2.422 20 30 FEEDRO Cn1c(C(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)ccc1-c1ccc(Br)cc1 ZINC000834493090 680234548 /nfs/dbraw/zinc/23/45/48/680234548.db2.gz AJQJTYCATNPRQV-TZMCWYRMSA-N 1 0 373.254 2.296 20 30 FEEDRO COc1cc(C(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)cc(Cl)c1OCC(C)C ZINC000834499650 680235754 /nfs/dbraw/zinc/23/57/54/680235754.db2.gz KXJBHYNKXQHTRB-JSGCOSHPSA-N 1 0 351.834 2.225 20 30 FEEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)COc1ccc(C2SCCCS2)cc1 ZINC000834511904 680236765 /nfs/dbraw/zinc/23/67/65/680236765.db2.gz PPTKEGCMNLZWIW-HIFRSBDPSA-N 1 0 363.508 2.162 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC2(CO[C@H](C[NH2+]CC)C2)CC1 ZINC000982929057 680293938 /nfs/dbraw/zinc/29/39/38/680293938.db2.gz PPRCSMBMAOWSPE-BZSNNMDCSA-N 1 0 350.503 2.365 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC(C[NH2+]Cc2snnc2C)CC1 ZINC000998147592 680377505 /nfs/dbraw/zinc/37/75/05/680377505.db2.gz DWMGEHSMMXTFRW-RDJZCZTQSA-N 1 0 364.515 2.156 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ncc(Cl)s2)C1 ZINC000984826436 680384689 /nfs/dbraw/zinc/38/46/89/680384689.db2.gz TVRXINSGCBPFOV-LPWJVIDDSA-N 1 0 355.891 2.372 20 30 FEEDRO CCCCCCCCNC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000754866820 680385662 /nfs/dbraw/zinc/38/56/62/680385662.db2.gz XGHKNVLETCZNLZ-UHFFFAOYSA-N 1 0 352.523 2.297 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2cc(OC)ns2)C1 ZINC000998787641 680389056 /nfs/dbraw/zinc/38/90/56/680389056.db2.gz JUACUCGBXRSPMO-GMEATFMZSA-N 1 0 365.499 2.212 20 30 FEEDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNc2cccc(S(N)(=O)=O)c2C#N)C1 ZINC000754978588 680391499 /nfs/dbraw/zinc/39/14/99/680391499.db2.gz WVNPUTZBQIDJCC-GASCZTMLSA-N 1 0 364.515 2.376 20 30 FEEDRO N#Cc1c(NC2CCC([NH+]3CCCCC3)CC2)cccc1S(N)(=O)=O ZINC000755003508 680393456 /nfs/dbraw/zinc/39/34/56/680393456.db2.gz TVBPWMYQGBWIKH-UHFFFAOYSA-N 1 0 362.499 2.415 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)NC1(C2CC[NH+](C[C@H](CC)OC)CC2)CC1 ZINC001000264854 680426140 /nfs/dbraw/zinc/42/61/40/680426140.db2.gz NZHXRRMSJCOLIJ-KSZLIROESA-N 1 0 350.503 2.363 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@@H]1CC[N@H+](CCC2CCOCC2)C1 ZINC001033960775 680429422 /nfs/dbraw/zinc/42/94/22/680429422.db2.gz INOHZINFVHPXQC-QRVBRYPASA-N 1 0 350.503 2.317 20 30 FEEDRO C[C@@H]1[C@H](C(=O)NCC2=CCN(Cc3ccc(C#N)s3)CC2)CC[N@@H+]1C ZINC001000698856 680437548 /nfs/dbraw/zinc/43/75/48/680437548.db2.gz COULYGLGQZMKFZ-RDTXWAMCSA-N 1 0 358.511 2.208 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)NCc1ccc(Br)cc1F ZINC000836296439 680446592 /nfs/dbraw/zinc/44/65/92/680446592.db2.gz CFIQBGSXYZLUDJ-UHFFFAOYSA-N 1 0 356.239 2.343 20 30 FEEDRO C[C@@H]1[C@H](C(=O)NC[C@@H]2CCN2CC#Cc2cccc(Cl)c2)CC[N@@H+]1C ZINC001038266630 680454635 /nfs/dbraw/zinc/45/46/35/680454635.db2.gz UCLOZTZCDNZBJQ-AYOQOUSVSA-N 1 0 359.901 2.222 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC2(C1)CC[NH+](C[C@H](C)OC)CC2 ZINC001040882011 680492899 /nfs/dbraw/zinc/49/28/99/680492899.db2.gz WMTDUEHTUPEUMI-BZSNNMDCSA-N 1 0 350.503 2.317 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)NC1CC[NH+](C[C@@H](OC)C2CCC2)CC1 ZINC001002847157 680510246 /nfs/dbraw/zinc/51/02/46/680510246.db2.gz QLWDVXRBGUPUKP-CEXWTWQISA-N 1 0 350.503 2.363 20 30 FEEDRO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(c2snc(C)c2C#N)C[C@H]1C ZINC001042603217 680536123 /nfs/dbraw/zinc/53/61/23/680536123.db2.gz CCDDVOHSQPGBNO-DAXOMENPSA-N 1 0 361.515 2.139 20 30 FEEDRO C=CCS(=O)(=O)CC[NH2+]Cc1ccc(OCC(F)(F)F)c(F)c1 ZINC000757873683 680539817 /nfs/dbraw/zinc/53/98/17/680539817.db2.gz AUMMUMCVFCSRQE-UHFFFAOYSA-N 1 0 355.353 2.457 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([C@H]2CCC[N@H+]2CCOC)CC1 ZINC001004437415 680555996 /nfs/dbraw/zinc/55/59/96/680555996.db2.gz KSDCUDMBQDTWNK-QRVBRYPASA-N 1 0 350.503 2.317 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC([C@@H]2CCC[N@H+]2CCOC)CC1 ZINC001004574841 680560645 /nfs/dbraw/zinc/56/06/45/680560645.db2.gz FKOQXLIYQKAQAQ-FHWLQOOXSA-N 1 0 350.503 2.317 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC([C@H]2CCC[N@H+]2CCOC)CC1 ZINC001004574842 680560892 /nfs/dbraw/zinc/56/08/92/680560892.db2.gz FKOQXLIYQKAQAQ-OTWHNJEPSA-N 1 0 350.503 2.317 20 30 FEEDRO C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1Nc1ncc(C#N)cc1Cl ZINC001043227603 680567342 /nfs/dbraw/zinc/56/73/42/680567342.db2.gz FBIGXIVOHBOMCY-MLGOLLRUSA-N 1 0 361.877 2.207 20 30 FEEDRO C=C(C)CC[NH+]1CCC(C)(NC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)CC1 ZINC001045479079 680631700 /nfs/dbraw/zinc/63/17/00/680631700.db2.gz OZSGINNCOMVUGU-KGLIPLIRSA-N 1 0 364.408 2.270 20 30 FEEDRO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCCC[C@H]2Nc2nc(C#N)c(Cl)s2)C1 ZINC001045497723 680632150 /nfs/dbraw/zinc/63/21/50/680632150.db2.gz IGBLHAQYMJRQOD-QJPTWQEYSA-N 1 0 367.906 2.459 20 30 FEEDRO C=C(Br)CN1CC[C@](C)(NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001046330870 680647189 /nfs/dbraw/zinc/64/71/89/680647189.db2.gz VLQOGWQTYAZMLY-LZWOXQAQSA-N 1 0 358.324 2.206 20 30 FEEDRO CC[NH+](CC)CCOC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 ZINC000837839171 680653786 /nfs/dbraw/zinc/65/37/86/680653786.db2.gz JPCLCRQDLBMQQU-CQSZACIVSA-N 1 0 363.845 2.450 20 30 FEEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)Nc1nnc(-c2ccc(Cl)cc2F)s1 ZINC000841224504 680869878 /nfs/dbraw/zinc/86/98/78/680869878.db2.gz LLFHZUVOIVFDII-HQJQHLMTSA-N 1 0 366.809 2.231 20 30 FEEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)Nc1ccc2c(c1)N(CC(F)F)CCS2 ZINC000841236099 680870579 /nfs/dbraw/zinc/87/05/79/680870579.db2.gz ZFAPKLFOLCAFIN-CMPLNLGQSA-N 1 0 367.425 2.097 20 30 FEEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)Nc1ccc2c(c1)N(CC(F)F)CCS2 ZINC000841236104 680870597 /nfs/dbraw/zinc/87/05/97/680870597.db2.gz ZFAPKLFOLCAFIN-PWSUYJOCSA-N 1 0 367.425 2.097 20 30 FEEDRO N#Cc1ccc(-c2cccc(CNC(=O)N3CCO[C@@H](C[NH3+])C3)c2)s1 ZINC000841830387 680913980 /nfs/dbraw/zinc/91/39/80/680913980.db2.gz HUBRLIUIINJMID-HNNXBMFYSA-N 1 0 356.451 2.156 20 30 FEEDRO CC(C[C@@H](C)NC(=O)OC(C)(C)C)=NNC(=S)NCCC[NH+](C)C ZINC000769587238 680988103 /nfs/dbraw/zinc/98/81/03/680988103.db2.gz UWJKUYUTAMTTEL-GFCCVEGCSA-N 1 0 359.540 2.081 20 30 FEEDRO C=CCN1C(=S)N=NC1c1sc(NC(=O)[C@@]2(C)CCC[NH2+]2)nc1C ZINC000843372041 681000399 /nfs/dbraw/zinc/00/03/99/681000399.db2.gz FLTKHNHEKDGINN-OAHLLOKOSA-N 1 0 364.500 2.265 20 30 FEEDRO C=CCCCC[NH2+][C@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000769987941 681002213 /nfs/dbraw/zinc/00/22/13/681002213.db2.gz LFCHCGJDWHWBCP-CQSZACIVSA-N 1 0 374.528 2.419 20 30 FEEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)c1ccc(Br)c(C(F)(F)F)c1 ZINC000844194507 681043903 /nfs/dbraw/zinc/04/39/03/681043903.db2.gz JGEUFSGFYUFNMH-KWQFWETISA-N 1 0 362.149 2.309 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[C@H](C[NH2+]CC2CCOCC2)CC1 ZINC001050368177 681046566 /nfs/dbraw/zinc/04/65/66/681046566.db2.gz FVTFNBXNQSLXRV-OWYHZJEWSA-N 1 0 350.503 2.269 20 30 FEEDRO C=CCN1CC[C@H]([NH+]2CCC(CCNC(=O)OC(C)(C)C)CC2)C1=O ZINC000844444016 681059372 /nfs/dbraw/zinc/05/93/72/681059372.db2.gz UMEIXMWGGWZXKZ-INIZCTEOSA-N 1 0 351.491 2.400 20 30 FEEDRO C[C@@H]1CCC[N@@H+]1CC(=O)N[C@H]1CCN(c2nc(C#N)c(Cl)s2)[C@@H]1C ZINC001051026830 681060778 /nfs/dbraw/zinc/06/07/78/681060778.db2.gz HSJSGEKIETVDDV-UTUOFQBUSA-N 1 0 367.906 2.236 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)O[C@H]2CCN(c3ccccc3Cl)C2=O)CC1 ZINC000772110989 681085997 /nfs/dbraw/zinc/08/59/97/681085997.db2.gz XPGUZILMXNGNSN-KRWDZBQOSA-N 1 0 360.841 2.334 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](CC2CCOCC2)CC1 ZINC001052786456 681086467 /nfs/dbraw/zinc/08/64/67/681086467.db2.gz VSPJOUAVVDCQFR-QYZOEREBSA-N 1 0 350.503 2.365 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@]2(CC[N@@H+](CCOC)C2)C1 ZINC001054212863 681106573 /nfs/dbraw/zinc/10/65/73/681106573.db2.gz OTFSJGMFXXYRHA-CMKODMSKSA-N 1 0 350.503 2.319 20 30 FEEDRO CC(C)Oc1cc(C(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)ccc1Br ZINC000846678389 681274997 /nfs/dbraw/zinc/27/49/97/681274997.db2.gz SLGMHGWALUFWRK-DGCLKSJQSA-N 1 0 352.232 2.078 20 30 FEEDRO COCC#CC[NH+]1CCC2(CO[C@@H](CNC(=O)OC(C)(C)C)C2)CC1 ZINC000932681104 681285612 /nfs/dbraw/zinc/28/56/12/681285612.db2.gz XAEFQRNUTVEEGE-MRXNPFEDSA-N 1 0 352.475 2.032 20 30 FEEDRO C=CCC[C@@H](O)C[N@@H+]1CCOC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000932714947 681295881 /nfs/dbraw/zinc/29/58/81/681295881.db2.gz XCWLSOCCEYLDNY-MRXNPFEDSA-N 1 0 354.491 2.415 20 30 FEEDRO C#CCN1CCN(C(=O)C[NH2+][C@H](C)c2ccccc2C(F)(F)F)CC1 ZINC000775460551 681308071 /nfs/dbraw/zinc/30/80/71/681308071.db2.gz WFCLDHCTKZFGPR-CQSZACIVSA-N 1 0 353.388 2.133 20 30 FEEDRO C[N@@H+]1C[C@@H](CNC(=O)N[C@@H](CC#N)C(F)(F)F)[C@H](c2ccccc2)C1 ZINC000932887526 681322975 /nfs/dbraw/zinc/32/29/75/681322975.db2.gz PGHPBGKTBOJDRS-ILXRZTDVSA-N 1 0 354.376 2.476 20 30 FEEDRO C[N@@H+]1CC[C@@H](CNC(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)C1 ZINC000847372343 681369527 /nfs/dbraw/zinc/36/95/27/681369527.db2.gz IXKWWUVSWZHGEZ-LSDHHAIUSA-N 1 0 352.479 2.032 20 30 FEEDRO C[C@H]1CCN(Cc2ccccc2)CC1=NNC(=S)NCCC[NH+](C)C ZINC000776186871 681370818 /nfs/dbraw/zinc/37/08/18/681370818.db2.gz WWTLPUUAHKFWFY-INIZCTEOSA-N 1 0 361.559 2.300 20 30 FEEDRO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@@](C)(CO)Cc1ccc(Cl)cc1 ZINC000933447890 681414739 /nfs/dbraw/zinc/41/47/39/681414739.db2.gz HHRPTKOYPAVZNN-RDTXWAMCSA-N 1 0 351.878 2.231 20 30 FEEDRO CS(=O)(=O)N1CCC[C@@H](C[NH+]2CCC(c3ccc(C#N)cc3)CC2)C1 ZINC000933611634 681440951 /nfs/dbraw/zinc/44/09/51/681440951.db2.gz AQHMODVPXWMXMQ-KRWDZBQOSA-N 1 0 361.511 2.409 20 30 FEEDRO COC(=O)[C@@H]1C[N@H+](CCCCC#N)CC12CN(C(=O)OC(C)(C)C)C2 ZINC000934048919 681501353 /nfs/dbraw/zinc/50/13/53/681501353.db2.gz CBWKGRJMNOWUBH-AWEZNQCLSA-N 1 0 351.447 2.022 20 30 FEEDRO Cc1nn(-c2ccccc2F)cc1C=NNC(=S)NCCC[NH+](C)C ZINC000848405438 681536448 /nfs/dbraw/zinc/53/64/48/681536448.db2.gz KVDLDADQYCVEGG-UHFFFAOYSA-N 1 0 362.478 2.070 20 30 FEEDRO C[C@H]([NH2+][C@H]1CCOC12CCOCC2)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000934402819 681565700 /nfs/dbraw/zinc/56/57/00/681565700.db2.gz CRCZUHQBWQPQMY-LRDDRELGSA-N 1 0 363.845 2.466 20 30 FEEDRO C#CCOc1cccc(Cl)c1C[NH2+]CC1CCN(S(C)(=O)=O)CC1 ZINC000778162912 681581470 /nfs/dbraw/zinc/58/14/70/681581470.db2.gz YNZWVAXLICWPRH-UHFFFAOYSA-N 1 0 370.902 2.113 20 30 FEEDRO CN(C)[S@@](C)(=O)=NCC1CC[NH+](CCOc2ccc(C#N)cc2)CC1 ZINC000934750431 681620552 /nfs/dbraw/zinc/62/05/52/681620552.db2.gz PDSKRPILPPRASZ-VWLOTQADSA-N 1 0 364.515 2.223 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CCOC2(CC[NH+](C[C@@H](F)CC)CC2)C1 ZINC000949194052 681623349 /nfs/dbraw/zinc/62/33/49/681623349.db2.gz HFLRTMLMCUQESP-BBWFWOEESA-N 1 0 354.466 2.019 20 30 FEEDRO C[NH+]=C(NCCC(=O)Nc1ccc(Br)cc1C)NC1CC1 ZINC000849049479 681648106 /nfs/dbraw/zinc/64/81/06/681648106.db2.gz RBNCKCTUNYEDKH-UHFFFAOYSA-N 1 0 353.264 2.414 20 30 FEEDRO C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912901036 685466021 /nfs/dbraw/zinc/46/60/21/685466021.db2.gz XGWBUZVHMWYOTD-KBPBESRZSA-N 1 0 357.882 2.329 20 30 FEEDRO C[C@H](C#N)Oc1ccc(C[N@@H+]2CC[C@H](C(=O)NCC(F)(F)F)C2)cc1 ZINC000779196365 681687883 /nfs/dbraw/zinc/68/78/83/681687883.db2.gz SXUPHLUFLQAXSJ-OCCSQVGLSA-N 1 0 355.360 2.478 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)N[C@](C)(CO)Cc1ccc(Br)cc1 ZINC000913715295 685483355 /nfs/dbraw/zinc/48/33/55/685483355.db2.gz ZRKGXAAGYZIDAG-KRWDZBQOSA-N 1 0 369.303 2.367 20 30 FEEDRO CCCC[C@@H](ON=C(C)C)C(=O)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000780981552 681892808 /nfs/dbraw/zinc/89/28/08/681892808.db2.gz UVTCLGRVORGAHV-ZWKOTPCHSA-N 1 0 354.539 2.346 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC2(CC1)CC[NH+]([C@@H](C)COC)CC2 ZINC000957608041 681909849 /nfs/dbraw/zinc/90/98/49/681909849.db2.gz BLOFTTHYNBMWCT-KSZLIROESA-N 1 0 350.503 2.317 20 30 FEEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)Nc1ncc(Cc2cc(F)cc(F)c2)s1 ZINC000850764790 681958211 /nfs/dbraw/zinc/95/82/11/681958211.db2.gz TVHZHLMNFJVVEQ-IINYFYTJSA-N 1 0 363.393 2.245 20 30 FEEDRO C=C(Cl)C(C)(C)C(=O)N1C[C@@H](C)[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC000940297600 682047948 /nfs/dbraw/zinc/04/79/48/682047948.db2.gz KGXLWNUIVZSIET-UMVBOHGHSA-N 1 0 355.910 2.070 20 30 FEEDRO C=CCS(=O)(=O)CC[NH2+]CCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000782968671 682099473 /nfs/dbraw/zinc/09/94/73/682099473.db2.gz MCDFAOVYNMBQGN-UHFFFAOYSA-N 1 0 360.520 2.214 20 30 FEEDRO C=C(C)C[NH2+]C1CCC(N(C)C(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)CC1 ZINC000963552104 682142056 /nfs/dbraw/zinc/14/20/56/682142056.db2.gz XPNGWBSHHAXGGQ-CVSAEHQPSA-N 1 0 364.408 2.268 20 30 FEEDRO C=CCS(=O)(=O)CC[NH2+][C@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000783531476 682150471 /nfs/dbraw/zinc/15/04/71/682150471.db2.gz IUCRYUGVXPYEBG-CABCVRRESA-N 1 0 360.520 2.260 20 30 FEEDRO C#CCOCCNC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000784601019 682240912 /nfs/dbraw/zinc/24/09/12/682240912.db2.gz JXKKXUXRHAKNSA-KRWDZBQOSA-N 1 0 354.372 2.207 20 30 FEEDRO O=C1OCCN1[C@@H]1CCN(CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000852437652 682279023 /nfs/dbraw/zinc/27/90/23/682279023.db2.gz ZMTPXNBGFSNVPS-CQSZACIVSA-N 1 0 354.328 2.463 20 30 FEEDRO C#CCN(CC(=O)OC(C)(C)C)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000853885062 682484078 /nfs/dbraw/zinc/48/40/78/682484078.db2.gz AZLPQSTUAGTTLC-UHFFFAOYSA-N 1 0 351.491 2.093 20 30 FEEDRO C#CCOc1cc(F)ccc1NC(=O)N[C@@H](CO)CC[NH+](CC)CC ZINC000788005910 682496281 /nfs/dbraw/zinc/49/62/81/682496281.db2.gz BTIDNHXJVBHIKS-OAHLLOKOSA-N 1 0 351.422 2.052 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)Nc2ccc(Br)nc2OC)CC1 ZINC000789702018 682626925 /nfs/dbraw/zinc/62/69/25/682626925.db2.gz NRXYBOVONRSDTF-UHFFFAOYSA-N 1 0 352.232 2.136 20 30 FEEDRO CC[C@@H](C)NN=C(C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000790183307 682659749 /nfs/dbraw/zinc/65/97/49/682659749.db2.gz LNKZALOCOYQXGM-CQSZACIVSA-N 1 0 354.520 2.029 20 30 FEEDRO C[C@@H](CCNC(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1)[NH+](C)C ZINC000855417388 682667992 /nfs/dbraw/zinc/66/79/92/682667992.db2.gz FTBNDABIIVUNEM-HNNXBMFYSA-N 1 0 351.491 2.093 20 30 FEEDRO C#CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCCC[C@H]2NS(C)(=O)=O)cc1 ZINC000858497426 682973396 /nfs/dbraw/zinc/97/33/96/682973396.db2.gz FSMXJJHFMXEHBN-ZTFGCOKTSA-N 1 0 350.484 2.210 20 30 FEEDRO N#CCOc1cc(F)ccc1NC(=O)N1CC[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000926067142 683070943 /nfs/dbraw/zinc/07/09/43/683070943.db2.gz VJQBDFFZNKJPBX-GHMZBOCLSA-N 1 0 360.311 2.471 20 30 FEEDRO N#Cc1ccc(C2([NH2+]CCCNC(=O)C(F)(F)F)CCOCC2)cc1 ZINC000859883314 683167731 /nfs/dbraw/zinc/16/77/31/683167731.db2.gz TVZZSNCICXQFCU-UHFFFAOYSA-N 1 0 355.360 2.222 20 30 FEEDRO C=CCN1CC[C@H]([NH2+][C@@H]2[C@@H](C)CCN(C(=O)OC(C)(C)C)[C@H]2C)C1=O ZINC000796647060 683180949 /nfs/dbraw/zinc/18/09/49/683180949.db2.gz BMURYJUILHGUET-YHUYYLMFSA-N 1 0 351.491 2.397 20 30 FEEDRO CCOC(=O)C(F)(F)[C@@H]1CC[C@H]([NH2+]CCNc2ccc(C#N)cn2)C1 ZINC000927164269 683213607 /nfs/dbraw/zinc/21/36/07/683213607.db2.gz OGSYXLLMRSLGQH-KGLIPLIRSA-N 1 0 352.385 2.322 20 30 FEEDRO C[C@@H]([NH2+]C[C@@H]1CCCCN1S(C)(=O)=O)c1ccc(OCC#N)cc1 ZINC000797097064 683222540 /nfs/dbraw/zinc/22/25/40/683222540.db2.gz UHFWMMIABPMMQQ-ZBFHGGJFSA-N 1 0 351.472 2.054 20 30 FEEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CC[C@H](CC[NH3+])C1 ZINC000927886280 683333333 /nfs/dbraw/zinc/33/33/33/683333333.db2.gz MUYOKQIWUOXNKK-KGLIPLIRSA-N 1 0 360.483 2.217 20 30 FEEDRO CN(C)c1cc[nH+]c(CNS(=O)(=O)c2ccc(C(C)(C)C#N)cc2)c1 ZINC000921017315 683387843 /nfs/dbraw/zinc/38/78/43/683387843.db2.gz HGGHONGVJFNNRQ-UHFFFAOYSA-N 1 0 358.467 2.427 20 30 FEEDRO C=CCN1CC[C@H]([NH2+][C@@H](C)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1=O ZINC000799165690 683431595 /nfs/dbraw/zinc/43/15/95/683431595.db2.gz KOOKMMHZSQGWRS-XHSDSOJGSA-N 1 0 351.491 2.399 20 30 FEEDRO C[NH2+]CCOCCNC(=O)NCc1cccc(-c2ccc(C#N)s2)c1 ZINC000861589509 683439521 /nfs/dbraw/zinc/43/95/21/683439521.db2.gz HCHIXAVWSCZDJV-UHFFFAOYSA-N 1 0 358.467 2.322 20 30 FEEDRO C#CCN(C(=O)NCc1csc([C@H](C)OC)n1)C1CC[NH+](C)CC1 ZINC000921374091 683445688 /nfs/dbraw/zinc/44/56/88/683445688.db2.gz ZYAITMVGJRPSEF-ZDUSSCGKSA-N 1 0 350.488 2.090 20 30 FEEDRO C[NH+](C)CC[C@@H](NS(=O)(=O)Cc1csc(C#N)c1)c1cccnc1 ZINC000921478386 683480605 /nfs/dbraw/zinc/48/06/05/683480605.db2.gz INHWXVQAJJWMHX-MRXNPFEDSA-N 1 0 364.496 2.127 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)c2ccc3nc(C(F)(F)F)cn3c2)CC1 ZINC000928653973 683482269 /nfs/dbraw/zinc/48/22/69/683482269.db2.gz IKZHXEMUSZSRTB-UHFFFAOYSA-N 1 0 350.344 2.181 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)CCOc2ccccc2Br)CC1 ZINC000928656754 683482907 /nfs/dbraw/zinc/48/29/07/683482907.db2.gz CNSAQBAXSDXQKF-UHFFFAOYSA-N 1 0 365.271 2.432 20 30 FEEDRO COCCO[C@@H]1COCC[C@@H]1[NH2+]Cc1cc(C#N)ccc1Br ZINC000922018497 683637716 /nfs/dbraw/zinc/63/77/16/683637716.db2.gz MYTBZNAIOAHFLP-JKSUJKDBSA-N 1 0 369.259 2.231 20 30 FEEDRO C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)[C@H]1C[C@@H]1c1cccc(F)c1 ZINC000922023600 683639133 /nfs/dbraw/zinc/63/91/33/683639133.db2.gz WWMFBLSGOQWNLH-MSOLQXFVSA-N 1 0 350.459 2.041 20 30 FEEDRO C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1c(C)ccc2ncccc21 ZINC000922024776 683639984 /nfs/dbraw/zinc/63/99/84/683639984.db2.gz SKYAIMWIXGFXTQ-UHFFFAOYSA-N 1 0 357.479 2.261 20 30 FEEDRO C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cc(F)ccc1OC(C)C ZINC000922026271 683640414 /nfs/dbraw/zinc/64/04/14/683640414.db2.gz SWUIDLPKUHPTNJ-UHFFFAOYSA-N 1 0 368.474 2.331 20 30 FEEDRO N#Cc1ccc(Br)c(C[NH2+]C[C@H]2CCCCN2CCO)c1 ZINC000922153499 683670911 /nfs/dbraw/zinc/67/09/11/683670911.db2.gz CTTVTEKGQIQBPY-OAHLLOKOSA-N 1 0 352.276 2.257 20 30 FEEDRO C[NH+](C)CCN1c2ccccc2C(=NNCC(F)(F)C(F)(F)F)C1=O ZINC000863183037 683683128 /nfs/dbraw/zinc/68/31/28/683683128.db2.gz IVEDTTZGABOSSB-UHFFFAOYSA-N 1 0 364.318 2.086 20 30 FEEDRO N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000922242660 683686374 /nfs/dbraw/zinc/68/63/74/683686374.db2.gz MPYQTWDVIOGFQH-BZSNNMDCSA-N 1 0 356.495 2.425 20 30 FEEDRO C[C@H](C[C@H](O)c1ccc(F)cc1)[NH2+]C[C@@H](O)CC1(C#N)CCOCC1 ZINC000863563241 683742691 /nfs/dbraw/zinc/74/26/91/683742691.db2.gz PEKFARMQPWQYLS-JLSDUUJJSA-N 1 0 350.434 2.299 20 30 FEEDRO N#Cc1ccccc1OC[C@@H](O)C[NH2+]C[C@H](O)c1cc(F)cc(Cl)c1 ZINC000863562551 683742831 /nfs/dbraw/zinc/74/28/31/683742831.db2.gz KZTDALSJVCWPAN-IRXDYDNUSA-N 1 0 364.804 2.414 20 30 FEEDRO C#CC[C@H](CCOC)[NH2+]C[C@@H](O)COc1ccc(Br)cc1 ZINC000863589006 683746739 /nfs/dbraw/zinc/74/67/39/683746739.db2.gz IVAYUVLIXAIPDJ-HUUCEWRRSA-N 1 0 356.260 2.207 20 30 FEEDRO CN(C)c1ccc(C#N)cc1C[NH2+]CCc1ccccc1S(C)(=O)=O ZINC000922682670 683766270 /nfs/dbraw/zinc/76/62/70/683766270.db2.gz IOMYECBSZDVSOU-UHFFFAOYSA-N 1 0 357.479 2.360 20 30 FEEDRO C#CC1(O)CC[NH+](CCC(=O)Nc2ccc(Br)cc2F)CC1 ZINC000931144682 683841268 /nfs/dbraw/zinc/84/12/68/683841268.db2.gz BDAYWUZYEOWYLN-UHFFFAOYSA-N 1 0 369.234 2.377 20 30 FEEDRO C=C(Cl)C[C@@H]1NC(=O)N(c2ccc(N3CC[NH+](CC)CC3)cc2)C1=O ZINC000864550557 683866550 /nfs/dbraw/zinc/86/65/50/683866550.db2.gz LJPPVGNPTXMKKS-INIZCTEOSA-N 1 0 362.861 2.396 20 30 FEEDRO COC[C@@]1(C(=O)OC(C)(C)C)C[N@H+](CC2CCC(C#N)CC2)CCO1 ZINC000931500832 684293750 /nfs/dbraw/zinc/29/37/50/684293750.db2.gz YHLMMRZJFJDUBC-LADRWXRNSA-N 1 0 352.475 2.375 20 30 FEEDRO C[C@@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)CC[C@H]1C[NH3+] ZINC000923704850 684336314 /nfs/dbraw/zinc/33/63/14/684336314.db2.gz UYKQCUARVQXVSF-MNOVXSKESA-N 1 0 361.389 2.182 20 30 FEEDRO COCC[NH+](CCOC)C1CCN(C(=O)Nc2sccc2C#N)CC1 ZINC000931836160 684354804 /nfs/dbraw/zinc/35/48/04/684354804.db2.gz BLTVMACQDMUPNM-UHFFFAOYSA-N 1 0 366.487 2.211 20 30 FEEDRO C#CC[NH+]1CCC(c2nc(-c3cc(N)ncc3Br)no2)CC1 ZINC000924168197 684411789 /nfs/dbraw/zinc/41/17/89/684411789.db2.gz XRDBENYZBXRRKT-UHFFFAOYSA-N 1 0 362.231 2.289 20 30 FEEDRO CS[C@@H]1CN(S(=O)(=O)c2ccc(C)cc2C#N)C[C@@H]1[NH+]1CCCC1 ZINC000872477382 684960279 /nfs/dbraw/zinc/96/02/79/684960279.db2.gz HWYNJPOYLBHLQC-JKSUJKDBSA-N 1 0 365.524 2.067 20 30 FEEDRO Cn1ccnc1[C@@](O)(CC[NH2+]Cc1cccc(F)c1C#N)C(F)(F)F ZINC000873020287 685051779 /nfs/dbraw/zinc/05/17/79/685051779.db2.gz MNZJIPAERDPSPX-HNNXBMFYSA-N 1 0 356.323 2.361 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)Nc1ccc(S(=O)(=O)NC(C)(C)C)cc1 ZINC000910563304 685076648 /nfs/dbraw/zinc/07/66/48/685076648.db2.gz JQJHZKLMNQUKBD-UHFFFAOYSA-N 1 0 353.488 2.210 20 30 FEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1cccc(OCC(=O)N(CC)CC)c1 ZINC000876582978 686224332 /nfs/dbraw/zinc/22/43/32/686224332.db2.gz CQIMDLDYIMRDHI-OAHLLOKOSA-N 1 0 353.850 2.342 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)Nc1cc(S(=O)(=O)N(C)C(C)C)ccc1C ZINC000876599943 686226659 /nfs/dbraw/zinc/22/66/59/686226659.db2.gz AWSRCVJICYACIX-AWEZNQCLSA-N 1 0 373.906 2.432 20 30 FEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)NCC1(c2ccc(OC)cc2)CCOCC1 ZINC000876619239 686229723 /nfs/dbraw/zinc/22/97/23/686229723.db2.gz QZZCPWAAHVVVIW-MRXNPFEDSA-N 1 0 352.862 2.330 20 30 FEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000876680119 686242375 /nfs/dbraw/zinc/24/23/75/686242375.db2.gz AFDFQBOCYCRNRC-OAHLLOKOSA-N 1 0 353.806 2.435 20 30 FEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H](c1ccccc1Cl)N1CCOCC1 ZINC000876722392 686253240 /nfs/dbraw/zinc/25/32/40/686253240.db2.gz TXNLMANXXUXOPR-HZPDHXFCSA-N 1 0 372.296 2.299 20 30 FEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H](c1cccc(Cl)c1)N1CCOCC1 ZINC000876751566 686260822 /nfs/dbraw/zinc/26/08/22/686260822.db2.gz ROPXOBVXUUWAMZ-HZPDHXFCSA-N 1 0 372.296 2.299 20 30 FEEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)c1cc(-c2ccc(Cl)cc2Cl)on1 ZINC000876801799 686271287 /nfs/dbraw/zinc/27/12/87/686271287.db2.gz IRTRDCCHNAXEDC-SDBXPKJASA-N 1 0 351.193 2.490 20 30 FEEDRO C#CCSCC[NH2+]Cc1cc(C2CN(C(=O)OC(C)(C)C)C2)no1 ZINC000877048038 686317947 /nfs/dbraw/zinc/31/79/47/686317947.db2.gz HEEORMBGSAYJSQ-UHFFFAOYSA-N 1 0 351.472 2.465 20 30 FEEDRO Cc1csc(CC2(O)CC[NH+](C[C@H](O)c3ccc(C#N)cc3)CC2)n1 ZINC000878926223 686691357 /nfs/dbraw/zinc/69/13/57/686691357.db2.gz GKCVBAXTVMCWKY-KRWDZBQOSA-N 1 0 357.479 2.426 20 30 FEEDRO CN(Cc1ccc(F)cc1C#N)C[C@@H](O)CN(C)C(=O)OC(C)(C)C ZINC000879084219 686734959 /nfs/dbraw/zinc/73/49/59/686734959.db2.gz PVDSHAAEXFRXAR-MRXNPFEDSA-N 1 0 351.422 2.357 20 30 FEEDRO CCOC(=O)[C@H]1C[N@H+](CCC(=O)Nc2sccc2C#N)CCC1(F)F ZINC000879372139 686807887 /nfs/dbraw/zinc/80/78/87/686807887.db2.gz XWDJSKOQCRIYLX-GFCCVEGCSA-N 1 0 371.409 2.469 20 30 FEEDRO COC[C@H]([NH2+]CCC(=O)N(C)CCC#N)c1cccc(Br)c1 ZINC000879662805 686882725 /nfs/dbraw/zinc/88/27/25/686882725.db2.gz MAPIUATZYDZUAZ-HNNXBMFYSA-N 1 0 368.275 2.488 20 30 FEEDRO N#Cc1cc(NC(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)c(F)cc1F ZINC000880709858 687077115 /nfs/dbraw/zinc/07/71/15/687077115.db2.gz CYEIEVVTSJUKAM-ZDUSSCGKSA-N 1 0 350.369 2.211 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)NCCC(C)(C)NC(=O)OC(C)(C)C)CC1 ZINC000881782645 687213954 /nfs/dbraw/zinc/21/39/54/687213954.db2.gz GKBLRBQAKWRSOK-UHFFFAOYSA-N 1 0 351.491 2.141 20 30 FEEDRO C#CCC1(O)CCN(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)CC1 ZINC000883063880 687555911 /nfs/dbraw/zinc/55/59/11/687555911.db2.gz GRLVCNZJCOYWJK-MRXNPFEDSA-N 1 0 361.511 2.445 20 30 FEEDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)Nc1ccc(Br)c(C#N)n1 ZINC000883096603 687563741 /nfs/dbraw/zinc/56/37/41/687563741.db2.gz MAEWWFSYGZNHJO-TVQRCGJNSA-N 1 0 364.247 2.320 20 30 FEEDRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)Nc2ccc(Br)c(C#N)n2)C1 ZINC000883115899 687569076 /nfs/dbraw/zinc/56/90/76/687569076.db2.gz JIIGRRAQJVQSJG-AOOOYVTPSA-N 1 0 352.236 2.177 20 30 FEEDRO C#CC[C@H](CO)[NH2+]Cc1cc(OC)c(OCC(F)(F)F)cc1[N+](=O)[O-] ZINC000883124057 687571920 /nfs/dbraw/zinc/57/19/20/687571920.db2.gz UPFJJFMRJDHDEA-LLVKDONJSA-N 1 0 362.304 2.018 20 30 FEEDRO C=CCC[C@@H](COc1ccccc1)[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000883207770 687587503 /nfs/dbraw/zinc/58/75/03/687587503.db2.gz SJOOYBJWJRDZTA-IRXDYDNUSA-N 1 0 352.500 2.271 20 30 FEEDRO N#C[C@@H]1C[NH2+]CC12CC(C(=O)NCc1ccc(F)cc1Br)C2 ZINC000884096984 687788426 /nfs/dbraw/zinc/78/84/26/687788426.db2.gz PRKFAPOZSRFNHI-BWBHSNQOSA-N 1 0 366.234 2.344 20 30 FEEDRO N#C[C@@H]1C[NH2+]CC12CC(C(=O)NC[C@@H](O)c1ccc(Cl)cc1Cl)C2 ZINC000884134832 687797574 /nfs/dbraw/zinc/79/75/74/687797574.db2.gz SZKXDRUDTJPSJO-XWWUOBQESA-N 1 0 368.264 2.282 20 30 FEEDRO Cc1cccc(C#N)c1S(=O)(=O)N1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000885848446 688168345 /nfs/dbraw/zinc/16/83/45/688168345.db2.gz UTKCQEGHEKSMKC-OAHLLOKOSA-N 1 0 356.451 2.161 20 30 FEEDRO C[C@@H]([NH2+]C[C@@H](O)CC1(C#N)CCC1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000886109643 688204350 /nfs/dbraw/zinc/20/43/50/688204350.db2.gz PAGFSEUOYCAHPV-ZBFHGGJFSA-N 1 0 365.499 2.032 20 30 FEEDRO C#CCN1CCC[C@H]([NH2+]Cc2cccc(Cl)c2S(=O)(=O)CC)C1 ZINC000886211602 688214261 /nfs/dbraw/zinc/21/42/61/688214261.db2.gz SXBVAAPEZJAOLM-HNNXBMFYSA-N 1 0 354.903 2.321 20 30 FEEDRO C#CCN(C(=O)Cn1nc(C(F)F)cc1C(F)F)C1CC[NH+](C)CC1 ZINC000886571360 688277649 /nfs/dbraw/zinc/27/76/49/688277649.db2.gz SOLFISAEEILGTG-UHFFFAOYSA-N 1 0 360.355 2.314 20 30 FEEDRO C#CCN(C(=O)[C@@H](O)c1ccc(C(F)(F)F)cc1)C1CC[NH+](C)CC1 ZINC000886572321 688278324 /nfs/dbraw/zinc/27/83/24/688278324.db2.gz IBOFOTOCZBZIDI-INIZCTEOSA-N 1 0 354.372 2.295 20 30 FEEDRO C#CCN(C(=O)CN(C)c1nc2ccccc2s1)C1CC[NH+](C)CC1 ZINC000886583425 688279727 /nfs/dbraw/zinc/27/97/27/688279727.db2.gz PYZQITJOSMNJIM-UHFFFAOYSA-N 1 0 356.495 2.289 20 30 FEEDRO CC(C)(C#N)c1ccc(S(=O)(=O)NC[C@H]2C[NH2+]CCC2(F)F)cc1 ZINC000886897899 688335676 /nfs/dbraw/zinc/33/56/76/688335676.db2.gz LNDRKYVCHZNOQB-CYBMUJFWSA-N 1 0 357.426 2.011 20 30 FEEDRO N#Cc1ccc(-n2cc(CN3CCC[C@H]([NH3+])C3)nn2)cc1C(F)(F)F ZINC000887419050 688423463 /nfs/dbraw/zinc/42/34/63/688423463.db2.gz AXXSMWHCIVHCPV-LBPRGKRZSA-N 1 0 350.348 2.081 20 30 FEEDRO CN(Cc1cc(C#N)cs1)C(=O)[C@H](C[NH+](C)C)NC(=O)OC(C)(C)C ZINC000887964532 688527311 /nfs/dbraw/zinc/52/73/11/688527311.db2.gz JKLCWILBHLIZBC-AWEZNQCLSA-N 1 0 366.487 2.033 20 30 FEEDRO C[C@@H](CNC(=O)NCc1nc(C#N)cs1)[N@@H+]1CCc2ccccc2C1 ZINC000892018997 689141554 /nfs/dbraw/zinc/14/15/54/689141554.db2.gz HVEDAYDWFVMBNC-ZDUSSCGKSA-N 1 0 355.467 2.261 20 30 FEEDRO C[C@]1(C#N)CN(C(=O)NCC2CC[NH+](Cc3cccs3)CC2)CCO1 ZINC000892498053 689203952 /nfs/dbraw/zinc/20/39/52/689203952.db2.gz ALLMXTLMUDMGIS-SFHVURJKSA-N 1 0 362.499 2.284 20 30 FEEDRO COCCC[NH+]1CCC(NC(=O)N(C)Cc2cc(C#N)cs2)CC1 ZINC000892687457 689228993 /nfs/dbraw/zinc/22/89/93/689228993.db2.gz RZCYVZMVMVHQOT-UHFFFAOYSA-N 1 0 350.488 2.262 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H](CO)c2cc(F)ccc2F)CC1 ZINC000892851073 689253044 /nfs/dbraw/zinc/25/30/44/689253044.db2.gz BFJKQNMOBQPRAN-QGZVFWFLSA-N 1 0 353.413 2.338 20 30 FEEDRO CN(C(=O)NCc1nc(C#N)cs1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000897289454 690000577 /nfs/dbraw/zinc/00/05/77/690000577.db2.gz XTQYZYSTRONSND-INIZCTEOSA-N 1 0 355.467 2.431 20 30 FEEDRO COc1ccc(C[NH2+]Cc2cccc(N(C)S(C)(=O)=O)c2)cc1C#N ZINC000898285987 690154336 /nfs/dbraw/zinc/15/43/36/690154336.db2.gz BPMOCIKCCPJLMI-UHFFFAOYSA-N 1 0 359.451 2.252 20 30 FEEDRO C#CCOc1ccccc1C[NH2+][C@@H]1CCN(c2cn[nH]c(=O)c2Cl)C1 ZINC000898362639 690165568 /nfs/dbraw/zinc/16/55/68/690165568.db2.gz KBNZHBPYGQUXIF-CQSZACIVSA-N 1 0 358.829 2.216 20 30 FEEDRO COc1cc(C[NH+]2CCC(CN=[S@](C)(=O)N(C)C)CC2)ccc1C#N ZINC000898398227 690175106 /nfs/dbraw/zinc/17/51/06/690175106.db2.gz ICIQZSJZMRWHLU-VWLOTQADSA-N 1 0 364.515 2.353 20 30 FEEDRO C=CCNc1ncc(C(=O)NC2CC[NH+](C3CCOCC3)CC2)s1 ZINC000898634220 690220287 /nfs/dbraw/zinc/22/02/87/690220287.db2.gz MGHWRNPFMSMGCV-UHFFFAOYSA-N 1 0 350.488 2.114 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)Nc1nc(CN2C[C@@H](C)O[C@H](C)C2)cs1 ZINC000900326468 690502108 /nfs/dbraw/zinc/50/21/08/690502108.db2.gz FEOOLQASPGUOHT-ZIAGYGMSSA-N 1 0 352.504 2.199 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)Nc1ccc(F)c(S(=O)(=O)NC(C)(C)C)c1 ZINC000900806917 690565714 /nfs/dbraw/zinc/56/57/14/690565714.db2.gz JMEDHZDXWKINJX-UHFFFAOYSA-N 1 0 371.478 2.349 20 30 FEEDRO C[C@H]([NH2+]C[C@@H]1CCCC[C@@H]1NS(C)(=O)=O)c1ccc(C#N)c(F)c1 ZINC000903235897 690874000 /nfs/dbraw/zinc/87/40/00/690874000.db2.gz XHQNWCMOELXXNB-NUTKFTJISA-N 1 0 353.463 2.456 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2CCC[C@@H]3CC[C@]32C[NH3+])cc1C(F)(F)F ZINC000903536805 690915597 /nfs/dbraw/zinc/91/55/97/690915597.db2.gz JBHJJCOPLKTOBQ-DOMZBBRYSA-N 1 0 373.400 2.469 20 30 FEEDRO N#Cc1cc(F)cc(S(=O)(=O)N2CCCC[C@H]2C2(C[NH3+])CCC2)c1 ZINC000903545985 690919354 /nfs/dbraw/zinc/91/93/54/690919354.db2.gz DRIRESUOXYBYPU-INIZCTEOSA-N 1 0 351.447 2.370 20 30 FEEDRO N#Cc1cc(S(=O)(=O)N2CC[C@@H]3CC[C@]32C[NH3+])ccc1C(F)(F)F ZINC000903590721 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20 30 FEEDRO Cc1cc(CO)cc(C)c1C[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000905543225 691137302 /nfs/dbraw/zinc/13/73/02/691137302.db2.gz YMVKIRHGLDGJCY-UHFFFAOYSA-N 1 0 358.463 2.231 20 30 FEEDRO CC(C)[NH2+]Cc1cn([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)nn1 ZINC000905789834 691174831 /nfs/dbraw/zinc/17/48/31/691174831.db2.gz IGVMTJAAOSBZRB-NSHDSACASA-N 1 0 358.471 2.398 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)CC2CC(NC(=O)OC(C)(C)C)C2)CC1 ZINC000906594374 691289612 /nfs/dbraw/zinc/28/96/12/691289612.db2.gz ZPCXSVKAZJUJLI-UHFFFAOYSA-N 1 0 351.491 2.446 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)nc1 ZINC000906808044 691319723 /nfs/dbraw/zinc/31/97/23/691319723.db2.gz PMEYDSGGPMLWPT-QGZVFWFLSA-N 1 0 356.451 2.069 20 30 FEEDRO C[NH+](C)CCN(CC1CCCCC1)S(=O)(=O)c1ccc(C#N)cn1 ZINC000906965513 691356272 /nfs/dbraw/zinc/35/62/72/691356272.db2.gz SAXRAPGQGQPHJY-UHFFFAOYSA-N 1 0 350.488 2.086 20 30 FEEDRO C#CC[N@@H+](C)CCCNC(=O)[C@@H](OC)c1ccc(Br)s1 ZINC000908436252 691678503 /nfs/dbraw/zinc/67/85/03/691678503.db2.gz FUNVIJVXANOYQB-ZDUSSCGKSA-N 1 0 359.289 2.269 20 30 FEEDRO C=CCn1c(-c2cnsn2)nnc1N1CCC(C[NH+]2CCCC2)CC1 ZINC000908715807 691717502 /nfs/dbraw/zinc/71/75/02/691717502.db2.gz UWOJRWNQGSXFDE-UHFFFAOYSA-N 1 0 359.503 2.295 20 30 FEEDRO CSc1nc(-c2ccccc2)nc(N2C[C@H]3OCC[N@H+](C)[C@H]3C2)c1C#N ZINC001164671520 719407792 /nfs/dbraw/zinc/40/77/92/719407792.db2.gz PWRWXVSCUFWGOS-JKSUJKDBSA-N 1 0 367.478 2.256 20 30 FEEDRO N#Cc1cc(Cl)cnc1N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001164736917 720576465 /nfs/dbraw/zinc/57/64/65/720576465.db2.gz VTSKTBVMCQKJIL-UHFFFAOYSA-N 1 0 356.861 2.462 20 30 FEEDRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4[nH]ccc5ncc(C#N)c4-5)C[C@H]3C2)cn1 ZINC001164773335 721181392 /nfs/dbraw/zinc/18/13/92/721181392.db2.gz WHTHXEVHRNFIEB-NVXWUHKLSA-N 1 0 361.453 2.126 20 30 FEEDRO Cc1nc(C#N)cc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164908693 721566409 /nfs/dbraw/zinc/56/64/09/721566409.db2.gz RSGYJWDXFRNHDH-AEFFLSMTSA-N 1 0 353.401 2.138 20 30 FEEDRO Cc1cc(C#N)cc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164980352 722150344 /nfs/dbraw/zinc/15/03/44/722150344.db2.gz NEEFZUIUTZFUSB-UXHICEINSA-N 1 0 363.465 2.384 20 30 FEEDRO N#Cc1ccc(NCC(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)nc1 ZINC000482531971 848234865 /nfs/dbraw/zinc/23/48/65/848234865.db2.gz KIGIURARIGJKQW-UHFFFAOYSA-N 1 0 374.448 2.040 20 30 FEEDRO C[NH+]1CCC(N(Cc2ccco2)C(=O)CNc2ccc(C#N)cn2)CC1 ZINC000497876250 883809814 /nfs/dbraw/zinc/80/98/14/883809814.db2.gz YPHZOEXIEIINQH-UHFFFAOYSA-N 1 0 353.426 2.081 20 30 FEEDRO CCn1nccc1[C@@H]1OCC[C@H]1C[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000328656667 210125214 /nfs/dbraw/zinc/12/52/14/210125214.db2.gz ZNNKXSDAUWBCQG-HNAYVOBHSA-N 1 0 350.426 2.290 20 30 FEEDRO CC(C)N(C)C(=O)C1CC[NH+](CCC(=O)Nc2ccccc2C#N)CC1 ZINC000030273531 539876847 /nfs/dbraw/zinc/87/68/47/539876847.db2.gz MUKILWAEZKPXNC-UHFFFAOYSA-N 1 0 356.470 2.466 20 30 FEEDRO N#Cc1ccc(OCC(=O)NCC2([NH+]3CCSCC3)CCCC2)cc1 ZINC000031960411 539924859 /nfs/dbraw/zinc/92/48/59/539924859.db2.gz BRODPCMHXZCMME-UHFFFAOYSA-N 1 0 359.495 2.415 20 30 FEEDRO C[NH+]1CCN(Cc2ccc(NC(=O)COc3ccc(C#N)cc3)cc2)CC1 ZINC000041577005 540025583 /nfs/dbraw/zinc/02/55/83/540025583.db2.gz CPZXBLGKZOFQJF-UHFFFAOYSA-N 1 0 364.449 2.323 20 30 FEEDRO Cc1cc(NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n(C)n1 ZINC000043434326 540100348 /nfs/dbraw/zinc/10/03/48/540100348.db2.gz VLHXWAOTJCHHDS-UHFFFAOYSA-N 1 0 352.442 2.340 20 30 FEEDRO CN(C)c1ccc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cn1 ZINC000044566497 540131199 /nfs/dbraw/zinc/13/11/99/540131199.db2.gz NLIWNUCIUIDCIU-UHFFFAOYSA-N 1 0 351.454 2.223 20 30 FEEDRO COc1ccc(N2CC[NH+](CCCNC(=O)N(C)C[C@H](C)C#N)CC2)cc1 ZINC000045126716 540203955 /nfs/dbraw/zinc/20/39/55/540203955.db2.gz ICHFIBRUSUOEKO-QGZVFWFLSA-N 1 0 373.501 2.008 20 30 FEEDRO N#Cc1c(F)cccc1N1CCN(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000047104620 540289892 /nfs/dbraw/zinc/28/98/92/540289892.db2.gz MBUCAUILFUMMTN-PKOBYXMFSA-N 1 0 371.460 2.156 20 30 FEEDRO CCC[N@H+](CC(=O)NC(=O)NCC(F)(F)F)Cc1ccc(C#N)cc1 ZINC000047739893 540326426 /nfs/dbraw/zinc/32/64/26/540326426.db2.gz IDVGUFOIYXWNRQ-UHFFFAOYSA-N 1 0 356.348 2.158 20 30 FEEDRO CCC(CC)[C@H](CNC(=O)CNc1ccc(C#N)cc1)[NH+]1CCOCC1 ZINC000050028122 540397396 /nfs/dbraw/zinc/39/73/96/540397396.db2.gz BFFWQHPSZABIAC-IBGZPJMESA-N 1 0 358.486 2.223 20 30 FEEDRO CC[N@@H+]1CCC[C@H](NC(=O)N2CCN(c3cccc(F)c3C#N)CC2)C1 ZINC000052593987 540476658 /nfs/dbraw/zinc/47/66/58/540476658.db2.gz MJRDMEOVZAJQPS-HNNXBMFYSA-N 1 0 359.449 2.013 20 30 FEEDRO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000052929755 540500551 /nfs/dbraw/zinc/50/05/51/540500551.db2.gz HRQLXCHWRWNRJN-PBHICJAKSA-N 1 0 354.454 2.123 20 30 FEEDRO C=C(C)CN(CC)C(=O)C[N@@H+]1CCC[C@H](C(=O)Nc2cccc(C)n2)C1 ZINC000054204381 540574618 /nfs/dbraw/zinc/57/46/18/540574618.db2.gz YBBNVZMTZUHSBX-KRWDZBQOSA-N 1 0 358.486 2.465 20 30 FEEDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2cccc(C#N)c2)C1 ZINC000054939483 540617946 /nfs/dbraw/zinc/61/79/46/540617946.db2.gz TVFANHYMMIVDGL-KXBFYZLASA-N 1 0 362.433 2.448 20 30 FEEDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc(C#N)cc2)C1 ZINC000054939535 540618053 /nfs/dbraw/zinc/61/80/53/540618053.db2.gz IMXRPHPKWBRCST-KXBFYZLASA-N 1 0 362.433 2.448 20 30 FEEDRO C[NH+]1CCN(Cc2cccc(NC(=O)COc3ccccc3C#N)c2)CC1 ZINC000057055621 540765357 /nfs/dbraw/zinc/76/53/57/540765357.db2.gz MHWFAJXWZPVOKE-UHFFFAOYSA-N 1 0 364.449 2.323 20 30 FEEDRO Cc1ccc(C#N)cc1NC(=O)C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000057677070 540807365 /nfs/dbraw/zinc/80/73/65/540807365.db2.gz ZLKRVZVRZIILBH-AWEZNQCLSA-N 1 0 356.470 2.432 20 30 FEEDRO C[N@H+](C[C@H](O)COc1ccc(C#N)cc1)C[C@H]1COc2ccccc2O1 ZINC000058422043 540842750 /nfs/dbraw/zinc/84/27/50/540842750.db2.gz HYZYVBUTRBSNPP-WMZOPIPTSA-N 1 0 354.406 2.070 20 30 FEEDRO C=CCOc1ccc(C[NH2+]CCC(=O)NCc2cccnc2)cc1OC ZINC000065935759 541272971 /nfs/dbraw/zinc/27/29/71/541272971.db2.gz GLQGXNZETAMCLI-UHFFFAOYSA-N 1 0 355.438 2.451 20 30 FEEDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1ccc(-n2ncc(C#N)c2N)cc1 ZINC000066241215 541294255 /nfs/dbraw/zinc/29/42/55/541294255.db2.gz MIAYRMYCROONKW-HUUCEWRRSA-N 1 0 366.469 2.176 20 30 FEEDRO N#Cc1cnn(-c2ccc(C(=O)N3CCC[C@@H]3C[NH+]3CCCC3)cc2)c1N ZINC000066241381 541294306 /nfs/dbraw/zinc/29/43/06/541294306.db2.gz HCAWWWUTZFXQFY-GOSISDBHSA-N 1 0 364.453 2.027 20 30 FEEDRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 ZINC000066140028 541284510 /nfs/dbraw/zinc/28/45/10/541284510.db2.gz HGNSIJMZWWFVSQ-OAHLLOKOSA-N 1 0 365.499 2.224 20 30 FEEDRO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CC[NH+](CCc2cccs2)CC1 ZINC000066435082 541317407 /nfs/dbraw/zinc/31/74/07/541317407.db2.gz VDQXKIBEBUIYLK-VQIMIIECSA-N 1 0 362.543 2.351 20 30 FEEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)COc1ccccc1C=O ZINC000066641252 541353274 /nfs/dbraw/zinc/35/32/74/541353274.db2.gz AJEIZTAEUHBZPK-UHFFFAOYSA-N 1 0 365.433 2.340 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N2CCC[C@H]2c2cccc3c2OCCO3)CC1 ZINC000066768800 541371971 /nfs/dbraw/zinc/37/19/71/541371971.db2.gz NGCGCTSKWXNSLD-SFHVURJKSA-N 1 0 354.450 2.467 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)Nc2ccc(NS(=O)(=O)CCC)cc2)CC1 ZINC000068123280 541552178 /nfs/dbraw/zinc/55/21/78/541552178.db2.gz VOTROLBOZSNXIU-UHFFFAOYSA-N 1 0 363.483 2.122 20 30 FEEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000068133851 541553553 /nfs/dbraw/zinc/55/35/53/541553553.db2.gz CZUJZPSDTAMGJP-KRWDZBQOSA-N 1 0 370.497 2.273 20 30 FEEDRO C[C@@H](OC[C@H]1CCCO1)C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000068310020 541575502 /nfs/dbraw/zinc/57/55/02/541575502.db2.gz QXROYUIHPHGCTN-VQIMIIECSA-N 1 0 359.470 2.033 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C2CCN(Cc3csc(C)n3)CC2)CC1 ZINC000068430570 541590919 /nfs/dbraw/zinc/59/09/19/541590919.db2.gz IOTCCMNIVWRGAZ-UHFFFAOYSA-N 1 0 362.543 2.430 20 30 FEEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)CN2CC[NH+](CC)CC2)cc1 ZINC000073046986 541912774 /nfs/dbraw/zinc/91/27/74/541912774.db2.gz JRZYGZYZNHZMFC-UHFFFAOYSA-N 1 0 370.497 2.077 20 30 FEEDRO C/[NH+]=C(/NCc1cn2ccsc2n1)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000073961828 542019844 /nfs/dbraw/zinc/01/98/44/542019844.db2.gz IWDVMZURDHNHLG-INIZCTEOSA-N 1 0 368.510 2.335 20 30 FEEDRO C=CCN1CC[C@@H]([NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)CC2(C)C)C1=O ZINC000801586189 674138476 /nfs/dbraw/zinc/13/84/76/674138476.db2.gz UYQIXYIKZPDIMP-HUUCEWRRSA-N 1 0 351.491 2.399 20 30 FEEDRO CN(Cc1cccc(C#N)c1)C(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000076600827 542299119 /nfs/dbraw/zinc/29/91/19/542299119.db2.gz PZUCMGLGEVCYNV-UHFFFAOYSA-N 1 0 364.449 2.259 20 30 FEEDRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)Nc2cccc(C#N)c2)C1 ZINC000076618048 542301774 /nfs/dbraw/zinc/30/17/74/542301774.db2.gz LQKIBOZBFWUBDN-LJQANCHMSA-N 1 0 362.433 2.230 20 30 FEEDRO COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000076980434 542338640 /nfs/dbraw/zinc/33/86/40/542338640.db2.gz PYCSPVZXZIBYNQ-IBGZPJMESA-N 1 0 356.470 2.201 20 30 FEEDRO C[NH+](C)Cc1ccc(CNC(=O)C(=O)Nc2ccc(F)c(C#N)c2)cc1 ZINC000077538382 542394516 /nfs/dbraw/zinc/39/45/16/542394516.db2.gz QLTCVCDMKBMXDA-UHFFFAOYSA-N 1 0 354.385 2.014 20 30 FEEDRO N#Cc1ccc(NC(=O)C(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)cc1 ZINC000077851701 542427063 /nfs/dbraw/zinc/42/70/63/542427063.db2.gz AHCFWNQLFFMGTA-IBGZPJMESA-N 1 0 362.433 2.450 20 30 FEEDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000079296176 542510782 /nfs/dbraw/zinc/51/07/82/542510782.db2.gz BQBOUVUWFRAOII-SFHVURJKSA-N 1 0 369.513 2.260 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCC2(CC1)OCCO2)C(C)C ZINC000079440231 542518688 /nfs/dbraw/zinc/51/86/88/542518688.db2.gz KGEKHAMXYZAVCS-KRWDZBQOSA-N 1 0 351.491 2.234 20 30 FEEDRO C=CCN(CC=C)C(=O)C[NH+]1CCC(C(=O)Nc2ccc(C)cn2)CC1 ZINC000079895853 542548158 /nfs/dbraw/zinc/54/81/58/542548158.db2.gz KVEZFIUGEBBNAO-UHFFFAOYSA-N 1 0 356.470 2.241 20 30 FEEDRO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@]2(C1)CCCN(C(=O)OC(C)(C)C)C2 ZINC000802010693 674158435 /nfs/dbraw/zinc/15/84/35/674158435.db2.gz HCORGUSACUOARM-KXBFYZLASA-N 1 0 351.491 2.400 20 30 FEEDRO C[N@H+](CC(=O)N(CCC#N)CCC#N)[C@H]1CCCN(c2ccccc2)C1 ZINC000081013580 542623541 /nfs/dbraw/zinc/62/35/41/542623541.db2.gz NUOHZANNHDHANQ-IBGZPJMESA-N 1 0 353.470 2.243 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N(CC)[C@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000084438125 542714712 /nfs/dbraw/zinc/71/47/12/542714712.db2.gz SHQSESNVQOLSDU-IBGZPJMESA-N 1 0 370.497 2.474 20 30 FEEDRO COc1cc(NC2CC[NH+]([C@@H](C)C(=O)N(C)CCC#N)CC2)cc(OC)c1 ZINC000085870307 542732642 /nfs/dbraw/zinc/73/26/42/542732642.db2.gz XNDKMRDLCHHYAT-HNNXBMFYSA-N 1 0 374.485 2.341 20 30 FEEDRO CCc1noc(CC)c1CNC(=[NH2+])NCCc1ccc(OC)c(OC)c1 ZINC000087001705 542740519 /nfs/dbraw/zinc/74/05/19/542740519.db2.gz HFVUQVCGSBZKHJ-UHFFFAOYSA-N 1 0 360.458 2.464 20 30 FEEDRO CCn1nnnc1-c1cccc(NC(=O)N(CCC#N)CCC[NH+](C)C)c1 ZINC000086298034 542735646 /nfs/dbraw/zinc/73/56/46/542735646.db2.gz ILBQFFVNSDDZFE-UHFFFAOYSA-N 1 0 370.461 2.059 20 30 FEEDRO CCN(CCC#N)C(=O)CNc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000088524469 542752414 /nfs/dbraw/zinc/75/24/14/542752414.db2.gz JMLGPGDFZQKWSW-CALCHBBNSA-N 1 0 358.486 2.470 20 30 FEEDRO C#CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCN(c3cc(C)nn3C)C2=O)cc1 ZINC000090171898 542783946 /nfs/dbraw/zinc/78/39/46/542783946.db2.gz JWPAVFHRJPZSAF-CRAIPNDOSA-N 1 0 352.438 2.197 20 30 FEEDRO COCCN1CCC([NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)CC1 ZINC000090970989 542788966 /nfs/dbraw/zinc/78/89/66/542788966.db2.gz ZMGCLJPMICAHFB-UHFFFAOYSA-N 1 0 358.486 2.344 20 30 FEEDRO Cn1ncnc1NC(=O)N(CC[NH+](C)C)Cc1cccc(C(F)(F)F)c1 ZINC000091182506 542796892 /nfs/dbraw/zinc/79/68/92/542796892.db2.gz DGIAJGIDFDAHKH-UHFFFAOYSA-N 1 0 370.379 2.443 20 30 FEEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(OCc2ccccc2F)CC1 ZINC000091865102 542829022 /nfs/dbraw/zinc/82/90/22/542829022.db2.gz UYKOJJBGMRSVIV-CQSZACIVSA-N 1 0 363.433 2.207 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cc(C)cc3cccnc32)CC1 ZINC000092293228 542854564 /nfs/dbraw/zinc/85/45/64/542854564.db2.gz TZNOMHYLOOZXAH-UHFFFAOYSA-N 1 0 352.438 2.248 20 30 FEEDRO C#CCCOc1ccc(C[NH+]2CCC(NC(=O)c3cnn(C)c3)CC2)cc1 ZINC000092074397 542843879 /nfs/dbraw/zinc/84/38/79/542843879.db2.gz PAKAVUYLQJMEDJ-UHFFFAOYSA-N 1 0 366.465 2.217 20 30 FEEDRO CN(CCC#N)C(=O)CC[N@H+](C)[C@@H](CO)c1cccc(Br)c1 ZINC000092808626 542888266 /nfs/dbraw/zinc/88/82/66/542888266.db2.gz REYGBRYVGNQHJK-HNNXBMFYSA-N 1 0 368.275 2.176 20 30 FEEDRO COc1ccc(C)cc1NC(=O)[C@@H]1CCC[N@@H+]1CCC(=O)N(C)CCC#N ZINC000092804531 542888315 /nfs/dbraw/zinc/88/83/15/542888315.db2.gz FTJHQPFLSOGKPS-KRWDZBQOSA-N 1 0 372.469 2.169 20 30 FEEDRO C=CCOc1ccc(CN2CCN(C(=O)C[NH+]3CCCC3)CC2)cc1OC ZINC000093046920 542905270 /nfs/dbraw/zinc/90/52/70/542905270.db2.gz LEPMXGXTKBZZRP-UHFFFAOYSA-N 1 0 373.497 2.000 20 30 FEEDRO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+](C)CCC3CCCCC3)CC2)o1 ZINC000101565690 543034025 /nfs/dbraw/zinc/03/40/25/543034025.db2.gz ORNIHDCJCRRRSQ-UHFFFAOYSA-N 1 0 373.501 2.406 20 30 FEEDRO N#Cc1cccc(NC(=O)C[NH2+][C@H](CN2CCOCC2)c2ccccc2)c1 ZINC000102700547 543077927 /nfs/dbraw/zinc/07/79/27/543077927.db2.gz PAXMQFWDWUOHMW-HXUWFJFHSA-N 1 0 364.449 2.160 20 30 FEEDRO CCC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)CC(=O)N(C)C ZINC000103469451 543109049 /nfs/dbraw/zinc/10/90/49/543109049.db2.gz NMXUGXYMQDXUDP-UHFFFAOYSA-N 1 0 362.499 2.237 20 30 FEEDRO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000104075738 543122453 /nfs/dbraw/zinc/12/24/53/543122453.db2.gz LQMASQYUEJINOH-CHWSQXEVSA-N 1 0 374.510 2.413 20 30 FEEDRO C[N@H+](CCN1CCN(C(=O)C2(C#N)CCCC2)CC1)Cc1ccccc1 ZINC000104438133 543131755 /nfs/dbraw/zinc/13/17/55/543131755.db2.gz AGVXNGBBLMUMLG-UHFFFAOYSA-N 1 0 354.498 2.347 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)Cc2cc(OC)c(OC)c(OC)c2)CC1 ZINC000106037931 543186155 /nfs/dbraw/zinc/18/61/55/543186155.db2.gz LJAVTXPMPXPCPC-UHFFFAOYSA-N 1 0 362.470 2.412 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)c2ccc(S(=O)(=O)CC)cc2)CC1 ZINC000106035725 543186196 /nfs/dbraw/zinc/18/61/96/543186196.db2.gz UXRNNXZFXTXMNH-UHFFFAOYSA-N 1 0 350.484 2.251 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)Cn2nc(-c3ccccc3)ccc2=O)CC1 ZINC000106040839 543186836 /nfs/dbraw/zinc/18/68/36/543186836.db2.gz FGMYANJCNOZUFN-UHFFFAOYSA-N 1 0 366.465 2.067 20 30 FEEDRO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+](C)C[C@@H]1CCCN1c1cccnn1 ZINC000106087280 543194048 /nfs/dbraw/zinc/19/40/48/543194048.db2.gz SCODVWQOQKFBIN-RDJZCZTQSA-N 1 0 364.453 2.276 20 30 FEEDRO C[C@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC(Cc2nccn2C)CC1 ZINC000106164792 543211158 /nfs/dbraw/zinc/21/11/58/543211158.db2.gz VEQJTSYTSSJQHR-MRXNPFEDSA-N 1 0 357.502 2.406 20 30 FEEDRO N#C[C@@H]1CN(C(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)CCO1 ZINC000106331362 543223631 /nfs/dbraw/zinc/22/36/31/543223631.db2.gz ZGYKQXZEUCOIGN-IAGOWNOFSA-N 1 0 362.861 2.411 20 30 FEEDRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N2CCO[C@H](C#N)C2)C1 ZINC000106330810 543223667 /nfs/dbraw/zinc/22/36/67/543223667.db2.gz CNHDIZUEJXLYGT-VQIMIIECSA-N 1 0 356.470 2.352 20 30 FEEDRO C=CCOc1cccc(NC(=O)N2CC[C@@H](N3CC[NH+](CC)CC3)C2)c1 ZINC000106942699 543257509 /nfs/dbraw/zinc/25/75/09/543257509.db2.gz NFBCCIHSXZKMGZ-GOSISDBHSA-N 1 0 358.486 2.495 20 30 FEEDRO CN(CC1CC[NH+](C)CC1)C(=O)C(=O)Nc1ccccc1SCCC#N ZINC000108613775 543297664 /nfs/dbraw/zinc/29/76/64/543297664.db2.gz UPALJBRYBDTYTC-UHFFFAOYSA-N 1 0 374.510 2.431 20 30 FEEDRO N#CCCSc1ccccc1NC(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000108619111 543298468 /nfs/dbraw/zinc/29/84/68/543298468.db2.gz HZGDFUCPTUIODH-OAHLLOKOSA-N 1 0 372.494 2.231 20 30 FEEDRO C#CCOc1cccc(NC(=O)N2CCN(c3cc(OC)cc[nH+]3)CC2)c1 ZINC000108517155 543292654 /nfs/dbraw/zinc/29/26/54/543292654.db2.gz IQDPUOKELINMMH-UHFFFAOYSA-N 1 0 366.421 2.456 20 30 FEEDRO C=CCN(C[C@H](O)COc1c(C)ccc(C)c1C)[C@@H]1CCS(=O)(=O)C1 ZINC000108870934 543306711 /nfs/dbraw/zinc/30/67/11/543306711.db2.gz FVKKUSNHWZCALC-MSOLQXFVSA-N 1 0 367.511 2.027 20 30 FEEDRO C=CCCO[C@H](C)C(=O)NCc1ccccc1CN1CC[NH+](CC)CC1 ZINC000109232984 543318950 /nfs/dbraw/zinc/31/89/50/543318950.db2.gz GSWVRXPUKMCFIJ-GOSISDBHSA-N 1 0 359.514 2.422 20 30 FEEDRO N#CCOc1ccccc1C(=O)NCC1([NH+]2CCCCC2)CCOCC1 ZINC000111102325 543381962 /nfs/dbraw/zinc/38/19/62/543381962.db2.gz ZXHFUIGHWYGHOF-UHFFFAOYSA-N 1 0 357.454 2.354 20 30 FEEDRO C[C@@H](Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1)C(=O)N(C)CCC#N ZINC000112535406 543450963 /nfs/dbraw/zinc/45/09/63/543450963.db2.gz PDWRJDRGJKLPDT-QGZVFWFLSA-N 1 0 369.513 2.391 20 30 FEEDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1S(=O)(=O)Cc1ccc(C#N)cc1F ZINC000552108949 674188212 /nfs/dbraw/zinc/18/82/12/674188212.db2.gz ODXZKIVNOLNEJF-CJNGLKHVSA-N 1 0 351.447 2.086 20 30 FEEDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1S(=O)(=O)Cc1ccc(C#N)cc1F ZINC000552108950 674188255 /nfs/dbraw/zinc/18/82/55/674188255.db2.gz ODXZKIVNOLNEJF-CZUORRHYSA-N 1 0 351.447 2.086 20 30 FEEDRO C[NH+](C)CC[C@H](NC(=O)c1ccc(-n2ncc(C#N)c2N)cc1)C(C)(C)C ZINC000116231266 543605754 /nfs/dbraw/zinc/60/57/54/543605754.db2.gz YOAVBHUAJRUBMT-KRWDZBQOSA-N 1 0 368.485 2.422 20 30 FEEDRO CC1CC[NH+](C[C@@H](O)CNC(=O)CCCCOc2cccc(C#N)c2)CC1 ZINC000116450697 543608757 /nfs/dbraw/zinc/60/87/57/543608757.db2.gz MFJMSBAVKKNSOL-IBGZPJMESA-N 1 0 373.497 2.316 20 30 FEEDRO C[C@H](CNC(=O)C(=O)Nc1ccccc1SC[C@@H](C)C#N)[N@H+](C)C1CC1 ZINC000118129303 543647813 /nfs/dbraw/zinc/64/78/13/543647813.db2.gz XIRXIBXUNCESFJ-UONOGXRCSA-N 1 0 374.510 2.476 20 30 FEEDRO C=CCC[C@@H](O)C[NH+]1CCN(CC(=O)Nc2ccccc2Cl)CC1 ZINC000121297768 543691895 /nfs/dbraw/zinc/69/18/95/543691895.db2.gz KWNQUGJPFHEVCH-OAHLLOKOSA-N 1 0 351.878 2.223 20 30 FEEDRO C[C@@H]1C[C@@H](N(C)CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CC[N@@H+]1C ZINC000123663027 543775870 /nfs/dbraw/zinc/77/58/70/543775870.db2.gz MEKLWTSBHJVAAS-QAPCUYQASA-N 1 0 366.469 2.097 20 30 FEEDRO N#Cc1cc(NC(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)ccc1Cl ZINC000123283520 543752780 /nfs/dbraw/zinc/75/27/80/543752780.db2.gz IULXBPPYGGEMRX-CYBMUJFWSA-N 1 0 360.845 2.094 20 30 FEEDRO C=CCNC(=O)NC(=O)[C@H](C)Nc1cccc(N2CC[NH+](C(C)C)CC2)c1 ZINC000125036993 543857222 /nfs/dbraw/zinc/85/72/22/543857222.db2.gz DHFHAVJYQPPRNA-INIZCTEOSA-N 1 0 373.501 2.029 20 30 FEEDRO CC(C)(Oc1ccc(C#N)cc1)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000126652831 543948724 /nfs/dbraw/zinc/94/87/24/543948724.db2.gz UWOGDPKOGQGBSA-GOSISDBHSA-N 1 0 371.481 2.286 20 30 FEEDRO CCCC[NH+](CCCC)CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 ZINC000126696826 543951326 /nfs/dbraw/zinc/95/13/26/543951326.db2.gz AILGAZFBVHHSNS-UHFFFAOYSA-N 1 0 361.490 2.406 20 30 FEEDRO N#Cc1ccc(C[NH2+]CCNS(=O)(=O)c2ccc(Cl)s2)s1 ZINC000127839503 544017170 /nfs/dbraw/zinc/01/71/70/544017170.db2.gz JRWIDZHIJOWACR-UHFFFAOYSA-N 1 0 361.901 2.403 20 30 FEEDRO C[C@@H]1C[C@@H](NC(=O)N2CCCN(c3ccccc3C#N)CC2)C[N@@H+]1C1CC1 ZINC000127901767 544020590 /nfs/dbraw/zinc/02/05/90/544020590.db2.gz GWWNTMNYZDFVOG-SJLPKXTDSA-N 1 0 367.497 2.405 20 30 FEEDRO N#Cc1ccc([C@@H](O)C[N@@H+]2CCCN(Cc3noc(C4CC4)n3)CC2)cc1 ZINC000127451468 543993876 /nfs/dbraw/zinc/99/38/76/543993876.db2.gz LJNXCDSBVSMXRB-SFHVURJKSA-N 1 0 367.453 2.060 20 30 FEEDRO CC[C@@H](CC#N)NC(=O)C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000128353561 544047775 /nfs/dbraw/zinc/04/77/75/544047775.db2.gz IBHPBAVQAQGEOU-INIZCTEOSA-N 1 0 372.469 2.298 20 30 FEEDRO C=CC[C@H](C)[C@H](C)[NH2+]C1CCN(S(=O)(=O)[N-]CC(F)(F)F)CC1 ZINC000130536144 544155193 /nfs/dbraw/zinc/15/51/93/544155193.db2.gz XIITUHNKQRKGNA-RYUDHWBXSA-N 1 0 357.442 2.038 20 30 FEEDRO CN(C)CC[NH+]1CCC(CNC(=O)C(C)(C)Oc2ccc(C#N)cc2)CC1 ZINC000130831146 544167092 /nfs/dbraw/zinc/16/70/92/544167092.db2.gz JZUAKSXDWZTNBM-UHFFFAOYSA-N 1 0 372.513 2.105 20 30 FEEDRO C#CCOc1ccc([C@@H](C)[NH2+]Cc2cccc(S(=O)(=O)NC)c2)cc1 ZINC000131982334 544214311 /nfs/dbraw/zinc/21/43/11/544214311.db2.gz SGUCTQSTDNBTDN-OAHLLOKOSA-N 1 0 358.463 2.458 20 30 FEEDRO N#Cc1c2c(sc1NC(=O)CCN1CC(=O)N[C@H]3CCCC[C@@H]31)CCC2 ZINC000133442512 544270049 /nfs/dbraw/zinc/27/00/49/544270049.db2.gz PSUGVWMMAZZDEN-GJZGRUSLSA-N 1 0 372.494 2.180 20 30 FEEDRO C[C@H](CNC(=O)N[C@H](CCC#N)c1ccccc1)C[NH+]1CCN(C)CC1 ZINC000133827788 544285153 /nfs/dbraw/zinc/28/51/53/544285153.db2.gz YJOXCLCYYXAATE-IEBWSBKVSA-N 1 0 357.502 2.214 20 30 FEEDRO C[N@H+](CCCNC(=O)C(=O)Nc1ccc(C#N)cc1F)Cc1ccccc1 ZINC000135707095 544359274 /nfs/dbraw/zinc/35/92/74/544359274.db2.gz BJOQATZQESIBPF-UHFFFAOYSA-N 1 0 368.412 2.274 20 30 FEEDRO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)C1 ZINC000150778622 544469201 /nfs/dbraw/zinc/46/92/01/544469201.db2.gz ANQSZKKXQITITQ-PBHICJAKSA-N 1 0 356.470 2.271 20 30 FEEDRO C[NH+](C)C[C@](C)(O)CNC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000152556560 544667782 /nfs/dbraw/zinc/66/77/82/544667782.db2.gz JEJWKWIQLZLKMO-HXUWFJFHSA-N 1 0 353.422 2.393 20 30 FEEDRO CSc1ccccc1NC(=O)[C@@H](C)[N@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000153274566 544755330 /nfs/dbraw/zinc/75/53/30/544755330.db2.gz ZMVUGENMIHTYPI-GFCCVEGCSA-N 1 0 372.498 2.477 20 30 FEEDRO C[NH+](C)CCN(Cc1cccc(O)c1)C(=O)Cc1cccc(OCC#N)c1 ZINC000153439394 544775344 /nfs/dbraw/zinc/77/53/44/544775344.db2.gz KQKVKBZLQVELAG-UHFFFAOYSA-N 1 0 367.449 2.427 20 30 FEEDRO C[N@@H+]1CCO[C@H]2CN(c3c(C#N)cnc4ccc(OC(F)F)cc43)C[C@@H]21 ZINC000153137472 544738174 /nfs/dbraw/zinc/73/81/74/544738174.db2.gz IQEBICRNCIGPRW-HOTGVXAUSA-N 1 0 360.364 2.227 20 30 FEEDRO CC[NH+]=C(NC[C@H](O)c1ccc(C)cc1)N[C@@H]1CCCn2nc(C)nc21 ZINC000153615264 544798884 /nfs/dbraw/zinc/79/88/84/544798884.db2.gz KEPHUEDWYQOJIJ-SJORKVTESA-N 1 0 356.474 2.019 20 30 FEEDRO CC[C@H]([NH2+]Cc1ccc(OC)c(C#N)c1)c1cccc(S(N)(=O)=O)c1 ZINC000181738600 327744123 /nfs/dbraw/zinc/74/41/23/327744123.db2.gz NLZLQVLJQIIARE-KRWDZBQOSA-N 1 0 359.451 2.455 20 30 FEEDRO N#Cc1ccc2ncc(C[NH2+][C@@H]3CC(=O)N(c4c(F)cccc4F)C3)n2c1 ZINC000181995267 327756044 /nfs/dbraw/zinc/75/60/44/327756044.db2.gz BKUINSOSSRDYFA-CYBMUJFWSA-N 1 0 367.359 2.379 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCC2CCC(F)(F)CC2)CC1 ZINC000553732412 674282485 /nfs/dbraw/zinc/28/24/85/674282485.db2.gz FJHDWUUGJSXYSU-UHFFFAOYSA-N 1 0 357.445 2.085 20 30 FEEDRO CC(C)[C@@H]([NH2+]CCCOc1cccc(C#N)c1)c1nc(-c2nc[nH]n2)no1 ZINC000184875702 327886704 /nfs/dbraw/zinc/88/67/04/327886704.db2.gz JRQMIEXOKLKITJ-OAHLLOKOSA-N 1 0 367.413 2.482 20 30 FEEDRO C[C@@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)[C@H](C(N)=O)C1 ZINC000187371098 328020512 /nfs/dbraw/zinc/02/05/12/328020512.db2.gz LJIMTMYPTHHUJP-DOMZBBRYSA-N 1 0 374.510 2.413 20 30 FEEDRO CO[C@@H]1CC[C@H](NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000187858434 328050924 /nfs/dbraw/zinc/05/09/24/328050924.db2.gz CELIMSKVIUAERJ-RBUKOAKNSA-N 1 0 356.470 2.343 20 30 FEEDRO Cc1nc(C#N)c(N2CCC(C(=O)N[C@H]3CCC[C@H]([NH+](C)C)C3)CC2)o1 ZINC000189221281 328135750 /nfs/dbraw/zinc/13/57/50/328135750.db2.gz QQNFQDZVWXLIHB-HOTGVXAUSA-N 1 0 359.474 2.060 20 30 FEEDRO C[C@@H](CC(=O)OC(C)(C)C)[NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000190614901 328219612 /nfs/dbraw/zinc/21/96/12/328219612.db2.gz ZLPFPSMUSDRPBF-YOEHRIQHSA-N 1 0 357.454 2.369 20 30 FEEDRO C[C@@H]([NH2+]Cc1cc(C#N)n(C)c1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000190787083 328232585 /nfs/dbraw/zinc/23/25/85/328232585.db2.gz BJOOHPRWCMEGDX-CQSZACIVSA-N 1 0 352.438 2.405 20 30 FEEDRO C[C@@H](C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)[NH+]1CCCCCC1 ZINC000191075944 328248687 /nfs/dbraw/zinc/24/86/87/328248687.db2.gz ODQHMLBOCFVLBE-QFBILLFUSA-N 1 0 368.481 2.040 20 30 FEEDRO Cn1cc(CN2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)cc1C#N ZINC000191229547 328255079 /nfs/dbraw/zinc/25/50/79/328255079.db2.gz QHIJJAKVLAQELU-UHFFFAOYSA-N 1 0 356.857 2.437 20 30 FEEDRO N#Cc1ccc(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1O ZINC000192231094 328308006 /nfs/dbraw/zinc/30/80/06/328308006.db2.gz FYFLVOARQVHKHE-LJQANCHMSA-N 1 0 365.433 2.285 20 30 FEEDRO COc1cc(C[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc(OC)c1 ZINC000192242342 328308735 /nfs/dbraw/zinc/30/87/35/328308735.db2.gz ANDVFZSBJVOTAM-FQEVSTJZSA-N 1 0 365.433 2.466 20 30 FEEDRO N#Cc1cc(C(=O)NCCc2ccc(OCC[NH+]3CCCC3)cc2)ccn1 ZINC000193753503 328393318 /nfs/dbraw/zinc/39/33/18/328393318.db2.gz SNNUTUVOFKNDFA-UHFFFAOYSA-N 1 0 364.449 2.400 20 30 FEEDRO N#Cc1cc(Br)cc(S(=O)(=O)N[C@@H](C[NH3+])C2CCCC2)c1 ZINC000194774809 328439952 /nfs/dbraw/zinc/43/99/52/328439952.db2.gz BOPLNIKVWVRTEY-AWEZNQCLSA-N 1 0 372.288 2.117 20 30 FEEDRO Cc1ccc(C#N)cc1NC(=O)C(=O)NC[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000057675980 324829873 /nfs/dbraw/zinc/82/98/73/324829873.db2.gz NDVMFVKFZJERKH-XOBRGWDASA-N 1 0 356.470 2.432 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)CCc2ccc(OC)c(F)c2)c1C#N ZINC000089673635 325325891 /nfs/dbraw/zinc/32/58/91/325325891.db2.gz YDQLXFWNYLVTST-UHFFFAOYSA-N 1 0 359.405 2.152 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2cnn(-c3ccccc3)c2C)c1C#N ZINC000089661695 325326358 /nfs/dbraw/zinc/32/63/58/325326358.db2.gz VYPJZVJLFYBURU-UHFFFAOYSA-N 1 0 363.425 2.180 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2ccccc2OCC2CC2)c1C#N ZINC000089676083 325326660 /nfs/dbraw/zinc/32/66/60/325326660.db2.gz VFNRHQNVYMXTCY-UHFFFAOYSA-N 1 0 353.426 2.474 20 30 FEEDRO C[NH+](C)C[C@@](C)(O)CNC(=O)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000091247469 325383707 /nfs/dbraw/zinc/38/37/07/325383707.db2.gz KMYWQLFKBUBJBK-NRFANRHFSA-N 1 0 366.465 2.337 20 30 FEEDRO COCCN(Cc1ccc(C#N)cc1)C(=O)NCCC1CC[NH+](C)CC1 ZINC000103320907 325514883 /nfs/dbraw/zinc/51/48/83/325514883.db2.gz DWUFOPVVPIYSAI-UHFFFAOYSA-N 1 0 358.486 2.448 20 30 FEEDRO CCN(CC)C(=O)C1([NH2+]C[C@H](O)COc2ccc(C#N)cc2)CCCCC1 ZINC000118847259 326107974 /nfs/dbraw/zinc/10/79/74/326107974.db2.gz VOIDQQDKQGSHFM-SFHVURJKSA-N 1 0 373.497 2.459 20 30 FEEDRO CC(C)Oc1ccc(NC(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)cc1C#N ZINC000119263412 326142927 /nfs/dbraw/zinc/14/29/27/326142927.db2.gz RLSAMDBQTHTJSY-CQSZACIVSA-N 1 0 374.485 2.376 20 30 FEEDRO C[N@H+](CCCc1[nH]nc(N)c1C#N)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000121377262 326333725 /nfs/dbraw/zinc/33/37/25/326333725.db2.gz ILGJIYLCFIXKDX-INIZCTEOSA-N 1 0 372.860 2.187 20 30 FEEDRO N#Cc1cnc(NCCCC[NH+]2CCN(Cc3ccccc3)CC2)cn1 ZINC000121772734 326366144 /nfs/dbraw/zinc/36/61/44/326366144.db2.gz IRJJISHBCBGWIG-UHFFFAOYSA-N 1 0 350.470 2.358 20 30 FEEDRO C[NH+](C)C[C@@](C)(O)CNc1c(C#N)cnc2ccc(OC(F)F)cc21 ZINC000133033189 326602026 /nfs/dbraw/zinc/60/20/26/326602026.db2.gz DVNUMZIAYLSLFL-KRWDZBQOSA-N 1 0 350.369 2.432 20 30 FEEDRO Cc1c(CCC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cnn1C ZINC000155116039 326778376 /nfs/dbraw/zinc/77/83/76/326778376.db2.gz KLNZNXFNHVXFME-UHFFFAOYSA-N 1 0 353.470 2.123 20 30 FEEDRO Cc1cc(S(=O)(=O)NCC[NH2+]Cc2ccc(C#N)s2)c(C)s1 ZINC000158391831 326894433 /nfs/dbraw/zinc/89/44/33/326894433.db2.gz INALEYSOGDNLDT-UHFFFAOYSA-N 1 0 355.510 2.366 20 30 FEEDRO N#Cc1ccc(CCC(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)cc1 ZINC000160192960 326956530 /nfs/dbraw/zinc/95/65/30/326956530.db2.gz YXEZDWBBYNZDEB-WOJBJXKFSA-N 1 0 355.482 2.375 20 30 FEEDRO CC(C)CN(CC[NH+](C)C)C(=O)C(=O)Nc1cc(C#N)ccc1OC(C)C ZINC000162759581 327034205 /nfs/dbraw/zinc/03/42/05/327034205.db2.gz GPHABMHOBJQKAZ-UHFFFAOYSA-N 1 0 374.485 2.330 20 30 FEEDRO C[NH+]1CCN(c2ccc(CNc3ccc([N+](=O)[O-])c(C#N)c3)cn2)CC1 ZINC000165362786 327077365 /nfs/dbraw/zinc/07/73/65/327077365.db2.gz HAUSOFIIAGPVRA-UHFFFAOYSA-N 1 0 352.398 2.225 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)NCc2ccccc2C[NH+]2CCCC2)cn1 ZINC000170657222 327091617 /nfs/dbraw/zinc/09/16/17/327091617.db2.gz WUFPYGFVQGVJKI-UHFFFAOYSA-N 1 0 356.451 2.028 20 30 FEEDRO CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)Nc2cc(C#N)ccc2C)CC1=O ZINC000171541451 327144925 /nfs/dbraw/zinc/14/49/25/327144925.db2.gz ODZQYNWAKVILQX-SJORKVTESA-N 1 0 354.454 2.138 20 30 FEEDRO CN1CC[NH+]([C@H]2CCCCN(C(=O)CCc3ccc(C#N)cc3)C2)CC1 ZINC000173281171 327246453 /nfs/dbraw/zinc/24/64/53/327246453.db2.gz LOXXEMAZDLPYJW-FQEVSTJZSA-N 1 0 354.498 2.119 20 30 FEEDRO C[NH+]1CCN(CCOc2ccc(NC(=O)c3ccc(C#N)cc3)cc2)CC1 ZINC000174036556 327303121 /nfs/dbraw/zinc/30/31/21/327303121.db2.gz CRKHWGQPFVWOEU-UHFFFAOYSA-N 1 0 364.449 2.437 20 30 FEEDRO N#Cc1ccc(CNCc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)o1 ZINC000174408659 327325462 /nfs/dbraw/zinc/32/54/62/327325462.db2.gz DATSCJJCYQDJGB-UHFFFAOYSA-N 1 0 352.438 2.267 20 30 FEEDRO N#Cc1ccc(NC(=O)C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)cc1Cl ZINC000174569950 327335471 /nfs/dbraw/zinc/33/54/71/327335471.db2.gz RWHUSFCQPUJFTD-CQSZACIVSA-N 1 0 374.872 2.485 20 30 FEEDRO Cc1cccc(NC(=O)C(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)c1C#N ZINC000174578321 327336145 /nfs/dbraw/zinc/33/61/45/327336145.db2.gz OGKXRNOYCFZKFJ-SFHVURJKSA-N 1 0 368.412 2.363 20 30 FEEDRO Cc1cccc(NC(=O)C(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)c1C#N ZINC000174643313 327340919 /nfs/dbraw/zinc/34/09/19/327340919.db2.gz XGRMLOQCHZUKEP-OAHLLOKOSA-N 1 0 356.470 2.434 20 30 FEEDRO Cc1cccc(NC(=O)C(=O)N[C@@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)c1C#N ZINC000174789092 327351270 /nfs/dbraw/zinc/35/12/70/327351270.db2.gz XBMMVZVTFVNCRE-DZKIICNBSA-N 1 0 356.470 2.288 20 30 FEEDRO CC(C)(C)CC[NH+]1CCN(C(=O)C(=O)Nc2ccc(F)c(C#N)c2)CC1 ZINC000175954988 327423929 /nfs/dbraw/zinc/42/39/29/327423929.db2.gz GWRQEWLUIAVMNK-UHFFFAOYSA-N 1 0 360.433 2.216 20 30 FEEDRO C[NH+](C)C1CCN(CCNC(=O)CCCCOc2cccc(C#N)c2)CC1 ZINC000177134485 327500295 /nfs/dbraw/zinc/50/02/95/327500295.db2.gz NHDBBJASBWDQRR-UHFFFAOYSA-N 1 0 372.513 2.250 20 30 FEEDRO Cc1c(C#N)cccc1NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccccc1 ZINC000178429399 327584545 /nfs/dbraw/zinc/58/45/45/327584545.db2.gz HMBFSUBYYWRHPX-UHFFFAOYSA-N 1 0 364.449 2.396 20 30 FEEDRO Cc1c(C#N)cccc1NC(=O)C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000178480778 327587726 /nfs/dbraw/zinc/58/77/26/327587726.db2.gz NEUINEGOPNWHMJ-UHFFFAOYSA-N 1 0 368.412 2.322 20 30 FEEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)COc1ccccc1O ZINC000178481454 327587795 /nfs/dbraw/zinc/58/77/95/327587795.db2.gz UXCXPINWWYUNPB-UHFFFAOYSA-N 1 0 353.422 2.233 20 30 FEEDRO C[C@@H](NC(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1)c1ccc(C#N)cc1 ZINC000263981883 328981317 /nfs/dbraw/zinc/98/13/17/328981317.db2.gz QGJRFDSCBYHJBH-OAHLLOKOSA-N 1 0 364.449 2.478 20 30 FEEDRO N#Cc1ccccc1OCC(=O)NCC1([NH+]2CCCCC2)CCOCC1 ZINC000264767261 329058369 /nfs/dbraw/zinc/05/83/69/329058369.db2.gz UXZTYTQEJZTSPP-UHFFFAOYSA-N 1 0 357.454 2.088 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)CNC(=O)C1CCCCC1 ZINC000265239450 329106051 /nfs/dbraw/zinc/10/60/51/329106051.db2.gz GAAYBOFTRJBOSZ-UHFFFAOYSA-N 1 0 370.497 2.145 20 30 FEEDRO N#Cc1ccc(/C=C/C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000269048041 329481068 /nfs/dbraw/zinc/48/10/68/329481068.db2.gz ADFZAFSHWFMNMD-FBWYZNFGSA-N 1 0 353.466 2.456 20 30 FEEDRO COC(=O)N1CCC([NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1 ZINC000272101447 329752262 /nfs/dbraw/zinc/75/22/62/329752262.db2.gz GUIQIVOOSBAIME-UHFFFAOYSA-N 1 0 353.426 2.279 20 30 FEEDRO COC(=O)COc1ccc([C@@H](C)[NH2+]CC(=O)Nc2sccc2C#N)cc1 ZINC000274306470 329936510 /nfs/dbraw/zinc/93/65/10/329936510.db2.gz AXOSKNFXPKIJOL-GFCCVEGCSA-N 1 0 373.434 2.461 20 30 FEEDRO CCCC[NH+]1CCC(NC(=O)N2CCN(c3cc(C#N)ccn3)CC2)CC1 ZINC000299684506 330198154 /nfs/dbraw/zinc/19/81/54/330198154.db2.gz YJOMQULXBRCSJU-UHFFFAOYSA-N 1 0 370.501 2.049 20 30 FEEDRO C=C(Cl)CNC(=O)N1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000805132989 674321653 /nfs/dbraw/zinc/32/16/53/674321653.db2.gz VTMKPOSJPSULHN-GOSISDBHSA-N 1 0 362.905 2.341 20 30 FEEDRO CSC1(CNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)CC[NH+](C)CC1 ZINC000555165011 674350203 /nfs/dbraw/zinc/35/02/03/674350203.db2.gz NPSCOBUMNAZALW-QGZVFWFLSA-N 1 0 369.531 2.192 20 30 FEEDRO CC[C@H](COC)NC(=O)N(C)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC000328633042 522230557 /nfs/dbraw/zinc/23/05/57/522230557.db2.gz SHUBRDLRTMLJKQ-USXIJHARSA-N 1 0 351.495 2.074 20 30 FEEDRO C[C@@H]([NH2+][C@@H](C)C(=O)NC1(C#N)CCC1)C1CCN(CC(F)(F)F)CC1 ZINC000555510395 674364088 /nfs/dbraw/zinc/36/40/88/674364088.db2.gz QTKVPTIJOGKXFC-OLZOCXBDSA-N 1 0 360.424 2.190 20 30 FEEDRO C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)Nc3ccc(C#N)c(Cl)c3)CC[C@@H]21 ZINC000155370167 545518518 /nfs/dbraw/zinc/51/85/18/545518518.db2.gz QOLRVEYUAKOUMD-BBRMVZONSA-N 1 0 360.845 2.093 20 30 FEEDRO C[C@H]1CN(c2nccnc2C#N)CCN1CCC(=O)Nc1ccc(F)cc1 ZINC000155683512 545558055 /nfs/dbraw/zinc/55/80/55/545558055.db2.gz NZQUTJXKCHLHJX-AWEZNQCLSA-N 1 0 368.416 2.027 20 30 FEEDRO Cc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000155963545 545587463 /nfs/dbraw/zinc/58/74/63/545587463.db2.gz SPXXHJBGWAVCTL-VQIMIIECSA-N 1 0 366.465 2.281 20 30 FEEDRO N#Cc1cc(NC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)ccc1F ZINC000156023529 545592441 /nfs/dbraw/zinc/59/24/41/545592441.db2.gz LLQSVBKGZQDVOD-ACJLOTCBSA-N 1 0 370.428 2.111 20 30 FEEDRO C#Cc1cccc(NC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000156026691 545593723 /nfs/dbraw/zinc/59/37/23/545593723.db2.gz CJLDOOFQDXXOLB-LPHOPBHVSA-N 1 0 351.450 2.082 20 30 FEEDRO C[C@@H](NC(=O)c1ccc(COc2ccccc2C#N)o1)[C@H]1CN(C)CCO1 ZINC000157513500 545749874 /nfs/dbraw/zinc/74/98/74/545749874.db2.gz QBQXFPIDMNOZBM-AUUYWEPGSA-N 1 0 369.421 2.179 20 30 FEEDRO CCCC[NH+]1CCC(NC(=O)N2CCN(c3ncccc3C#N)CC2)CC1 ZINC000158610751 545877291 /nfs/dbraw/zinc/87/72/91/545877291.db2.gz XCLSDOUVRHCWDA-UHFFFAOYSA-N 1 0 370.501 2.049 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)Nc2ccccc2N2CCC(CO)CC2)CC1 ZINC000160342422 546031213 /nfs/dbraw/zinc/03/12/13/546031213.db2.gz VASHCLLGWOTOOC-UHFFFAOYSA-N 1 0 355.482 2.179 20 30 FEEDRO C[C@H](Oc1ccccc1C#N)C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000160664427 546060989 /nfs/dbraw/zinc/06/09/89/546060989.db2.gz MNVDQDAXMPJLPZ-SNRMKQJTSA-N 1 0 371.481 2.210 20 30 FEEDRO Cn1cc(CNC(=[NH2+])N[C@H]2CCOc3ccccc32)c(C(F)(F)F)n1 ZINC000160801036 546073449 /nfs/dbraw/zinc/07/34/49/546073449.db2.gz KYBWZBYLYQWJPR-LBPRGKRZSA-N 1 0 353.348 2.367 20 30 FEEDRO CC(C)[C@H](CCO)[NH2+]CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000162047318 546136556 /nfs/dbraw/zinc/13/65/56/546136556.db2.gz NRKXZRXHOJUPNY-INIZCTEOSA-N 1 0 356.388 2.170 20 30 FEEDRO CN(CC(=O)N(CCC#N)c1cccc(Cl)c1)[C@H]1CCCCNC1=O ZINC000162351374 546138735 /nfs/dbraw/zinc/13/87/35/546138735.db2.gz NHORLCCHCPOBRU-INIZCTEOSA-N 1 0 362.861 2.187 20 30 FEEDRO Cc1ccc(N(CCC#N)C(=O)CN(C)[C@H]2CCCCNC2=O)cc1C ZINC000162349983 546139063 /nfs/dbraw/zinc/13/90/63/546139063.db2.gz BIQLBOKASAMWEG-SFHVURJKSA-N 1 0 356.470 2.151 20 30 FEEDRO C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)N1CCN([C@H](C)C(F)(F)F)CC1 ZINC000165279388 546153120 /nfs/dbraw/zinc/15/31/20/546153120.db2.gz DHQTYZQSRRBSGI-BARDWOONSA-N 1 0 374.451 2.088 20 30 FEEDRO C=CCN(C(=O)[C@H]1CC[NH2+][C@@H](C)C1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000479135837 561182460 /nfs/dbraw/zinc/18/24/60/561182460.db2.gz AOTIZXYWSUTXNR-ZOBUZTSGSA-N 1 0 354.458 2.126 20 30 FEEDRO [NH2+]=C(NCC1(c2ccc3c(c2)OCO3)CCOCC1)Nc1ccccn1 ZINC000170910423 546181526 /nfs/dbraw/zinc/18/15/26/546181526.db2.gz YIYDUIHAIXMMKF-UHFFFAOYSA-N 1 0 354.410 2.285 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)[C@H](NC(=O)c2ccccc2F)C(C)C)CC1 ZINC000171724753 546221808 /nfs/dbraw/zinc/22/18/08/546221808.db2.gz GWSDBMMIIHXOLE-GOSISDBHSA-N 1 0 361.461 2.347 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)CCC(=O)N2CCC(c3ccccc3)=N2)CC1 ZINC000171726908 546222363 /nfs/dbraw/zinc/22/23/63/546222363.db2.gz NBVGPBPZVPPXNX-UHFFFAOYSA-N 1 0 368.481 2.170 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000171739693 546223106 /nfs/dbraw/zinc/22/31/06/546223106.db2.gz OXSKNRQXVVMKKJ-UHFFFAOYSA-N 1 0 373.457 2.077 20 30 FEEDRO C[NH+]1CCC2(CC1)C[C@@H](NS(=O)(=O)CCCC#N)c1ccccc1O2 ZINC000171979901 546232883 /nfs/dbraw/zinc/23/28/83/546232883.db2.gz GRGFOPOZDHPMNF-MRXNPFEDSA-N 1 0 363.483 2.198 20 30 FEEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000172291939 546244839 /nfs/dbraw/zinc/24/48/39/546244839.db2.gz MMJHWEHHWCTVLI-CABCVRRESA-N 1 0 374.510 2.287 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)c2ccc(F)c(COCCOC)c2)CC1 ZINC000173579040 546283502 /nfs/dbraw/zinc/28/35/02/546283502.db2.gz WTOAFGDWEAGDJQ-UHFFFAOYSA-N 1 0 350.434 2.369 20 30 FEEDRO CN(CC(=O)N[C@](C)(C#N)C1CC1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000174954625 546304988 /nfs/dbraw/zinc/30/49/88/546304988.db2.gz ISRPDHJCCUYNEM-TZIWHRDSSA-N 1 0 354.498 2.391 20 30 FEEDRO C[NH+](C)CCCOC1CCN(C(=O)NCc2ccc(OCC#N)cc2)CC1 ZINC000175724073 546338973 /nfs/dbraw/zinc/33/89/73/546338973.db2.gz GFQQITLHALHGFU-UHFFFAOYSA-N 1 0 374.485 2.231 20 30 FEEDRO C[N@H+](CCCNC(=O)C(=O)Nc1ccc(F)cc1C#N)C1CCCCC1 ZINC000175948729 546377639 /nfs/dbraw/zinc/37/76/39/546377639.db2.gz MYDIZMCGHFOJAV-UHFFFAOYSA-N 1 0 360.433 2.407 20 30 FEEDRO C=CC[C@@H](CO)C[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480171604 561204058 /nfs/dbraw/zinc/20/40/58/561204058.db2.gz PUOACANYAZKXNI-BXUZGUMPSA-N 1 0 374.300 2.442 20 30 FEEDRO CC(C)(C)CC[NH+]1CCN(C(=O)C(=O)Nc2ccc(F)cc2C#N)CC1 ZINC000175967210 546382191 /nfs/dbraw/zinc/38/21/91/546382191.db2.gz LIQXXGQVZDTLKY-UHFFFAOYSA-N 1 0 360.433 2.216 20 30 FEEDRO CC(C)[N@H+](C)CCNC(=O)C(=O)Nc1ccccc1C#Cc1ccccc1 ZINC000176041315 546394413 /nfs/dbraw/zinc/39/44/13/546394413.db2.gz LTLYHVNJLIHBMV-UHFFFAOYSA-N 1 0 363.461 2.481 20 30 FEEDRO CCO[C@@H]1C[C@@H](N(C)CCS(=O)(=O)c2ccc(C#N)cc2)C1(C)C ZINC000176260461 546425254 /nfs/dbraw/zinc/42/52/54/546425254.db2.gz RDGKUCJNEODQQN-IAGOWNOFSA-N 1 0 350.484 2.467 20 30 FEEDRO C[NH+]=C(NC[C@@H](C)N1CCc2sccc2C1)NCC1CCOCC1 ZINC000176345181 546434457 /nfs/dbraw/zinc/43/44/57/546434457.db2.gz HJTWTRDXONYLMD-CQSZACIVSA-N 1 0 350.532 2.086 20 30 FEEDRO COc1cc(OC)cc(N2CC[C@H]([NH2+]Cc3ccc(C#N)cc3)C2=O)c1 ZINC000177711783 546672996 /nfs/dbraw/zinc/67/29/96/546672996.db2.gz STABSOZDWORJHV-IBGZPJMESA-N 1 0 351.406 2.471 20 30 FEEDRO C[NH+]1CCN(c2ncccc2CNC(=O)Nc2ccc(F)cc2C#N)CC1 ZINC000177895016 546705112 /nfs/dbraw/zinc/70/51/12/546705112.db2.gz HAXXCAMHHAJNKZ-UHFFFAOYSA-N 1 0 368.416 2.166 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccccc2OCC(F)F)CC1 ZINC000177957039 546712837 /nfs/dbraw/zinc/71/28/37/546712837.db2.gz RMRHYWBGCPUTSQ-UHFFFAOYSA-N 1 0 367.396 2.036 20 30 FEEDRO N#Cc1cccc(S(=O)(=O)CCN2CCC[N@@H+](C3CCCC3)CC2)c1 ZINC000179001079 546885383 /nfs/dbraw/zinc/88/53/83/546885383.db2.gz FQVYNHXZTYKVRK-UHFFFAOYSA-N 1 0 361.511 2.282 20 30 FEEDRO O=C(NCC[NH2+]Cc1ccc(F)c(C(F)(F)F)c1)C1N=CC=CC1=O ZINC000179089733 546898353 /nfs/dbraw/zinc/89/83/53/546898353.db2.gz YGNVOXAWGXDTMS-PFONDFGASA-N 1 0 357.307 2.461 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)C(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000481782576 561242199 /nfs/dbraw/zinc/24/21/99/561242199.db2.gz YGLYBVZETQDAIJ-CVEARBPZSA-N 1 0 363.527 2.499 20 30 FEEDRO C=CCOc1ccccc1CNC(=O)C(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000481880095 561244600 /nfs/dbraw/zinc/24/46/00/561244600.db2.gz SKPLIKPQOLOJFB-IAGOWNOFSA-N 1 0 373.497 2.104 20 30 FEEDRO Cc1onc(CC(=O)NC[C@H](C2CC2)[N@H+](C)Cc2ccccc2)c1C#N ZINC000482268856 561251535 /nfs/dbraw/zinc/25/15/35/561251535.db2.gz RBDFJFROYBZMCZ-LJQANCHMSA-N 1 0 352.438 2.424 20 30 FEEDRO CC[NH+]1CCN([C@H]2CCN(C(=O)Nc3ccccc3O[C@@H](C)C#N)C2)CC1 ZINC000180037744 547041926 /nfs/dbraw/zinc/04/19/26/547041926.db2.gz DOUXVDFBCUOASB-IRXDYDNUSA-N 1 0 371.485 2.221 20 30 FEEDRO CC(C)(CNC(=O)c1ccc(-n2ncc(C#N)c2N)cc1)C[NH+]1CCCC1 ZINC000482940543 561263458 /nfs/dbraw/zinc/26/34/58/561263458.db2.gz DLZRTMOUTRGZFE-UHFFFAOYSA-N 1 0 366.469 2.178 20 30 FEEDRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000180905615 547206811 /nfs/dbraw/zinc/20/68/11/547206811.db2.gz KWAZRKCJVWERLU-CQSZACIVSA-N 1 0 368.412 2.273 20 30 FEEDRO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000483173760 561269546 /nfs/dbraw/zinc/26/95/46/561269546.db2.gz IAQCMQILZCYMKK-GHTZIAJQSA-N 1 0 361.482 2.425 20 30 FEEDRO CCOC(=O)C1(COC)CC[NH+](CCC(=O)Nc2cccc(C#N)c2)CC1 ZINC000483192218 561269951 /nfs/dbraw/zinc/26/99/51/561269951.db2.gz GDDMQVZBTSYODP-UHFFFAOYSA-N 1 0 373.453 2.179 20 30 FEEDRO Cc1ccc([C@H](C)[NH2+]CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)cc1F ZINC000181355515 547299771 /nfs/dbraw/zinc/29/97/71/547299771.db2.gz NWMSUVFQCOUHEL-QFBILLFUSA-N 1 0 360.477 2.477 20 30 FEEDRO CNC(=O)C[C@@H]([NH2+]CC(=O)N(CCC#N)c1ccccc1)c1ccccc1 ZINC000483429013 561277030 /nfs/dbraw/zinc/27/70/30/561277030.db2.gz XPTVDKFZWHOTSK-LJQANCHMSA-N 1 0 364.449 2.400 20 30 FEEDRO COCc1noc([C@@H](C)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000181503644 547324506 /nfs/dbraw/zinc/32/45/06/547324506.db2.gz UAQNDOOJVCCVBW-OAHLLOKOSA-N 1 0 355.442 2.357 20 30 FEEDRO CC[C@@H]([NH2+]CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1)c1ccc(OC)cc1 ZINC000181822597 547386781 /nfs/dbraw/zinc/38/67/81/547386781.db2.gz CBUOORHVARGKOP-UXHICEINSA-N 1 0 372.513 2.428 20 30 FEEDRO C[C@H](CCNC(=O)C(=O)Nc1ccccc1O[C@@H](C)C#N)[NH+]1CCCCC1 ZINC000182145806 547444733 /nfs/dbraw/zinc/44/47/33/547444733.db2.gz SMGFLROBJKDAIC-CVEARBPZSA-N 1 0 372.469 2.297 20 30 FEEDRO CC1(C)[C@H]([NH2+]CCNC(=O)C2N=CC=CC2=O)C[C@@H]1OCc1ccccc1 ZINC000182363004 547479549 /nfs/dbraw/zinc/47/95/49/547479549.db2.gz SYSGKVAMMKKQCN-GNGBDFNJSA-N 1 0 369.465 2.486 20 30 FEEDRO Cc1nnc(SCC(=O)NC[C@H](c2ccccc2)[NH+](C)C)c(C#N)c1C ZINC000182712609 547539147 /nfs/dbraw/zinc/53/91/47/547539147.db2.gz LVTRZXSXJFMMFJ-QGZVFWFLSA-N 1 0 369.494 2.476 20 30 FEEDRO N#Cc1ccc(N2CCC[C@H]([NH+]3CCC(C4OCCO4)CC3)C2=O)cc1 ZINC000182738488 547543803 /nfs/dbraw/zinc/54/38/03/547543803.db2.gz PORWUSMOGCXIKZ-SFHVURJKSA-N 1 0 355.438 2.139 20 30 FEEDRO C=CC[C@H](CO)NC(=O)NCCCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000183079685 547598447 /nfs/dbraw/zinc/59/84/47/547598447.db2.gz FLBBZGQGKIBZQK-LJQANCHMSA-N 1 0 374.529 2.133 20 30 FEEDRO COc1cccc(CON=C(N)c2ccccc2C[NH+]2CCC(O)CC2)c1 ZINC000183168124 547614595 /nfs/dbraw/zinc/61/45/95/547614595.db2.gz FFAXKGPRNPJXEA-UHFFFAOYSA-N 1 0 369.465 2.489 20 30 FEEDRO CCO[C@@H]1COCC[C@H]1[NH2+][C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000484653589 561302466 /nfs/dbraw/zinc/30/24/66/561302466.db2.gz QHFDNLMINSRNKQ-HFBAOOFYSA-N 1 0 351.834 2.322 20 30 FEEDRO CC[N@H+](CCO)CCNC(=O)c1cccc(COc2ccc(C#N)cc2)c1 ZINC000183992146 547750955 /nfs/dbraw/zinc/75/09/55/547750955.db2.gz VKXYEIIBONZZTJ-UHFFFAOYSA-N 1 0 367.449 2.181 20 30 FEEDRO CC(C)CN(CC[NH+](C)C)C(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000184630075 547858049 /nfs/dbraw/zinc/85/80/49/547858049.db2.gz IRBKPVPPTGOYMS-UHFFFAOYSA-N 1 0 355.446 2.190 20 30 FEEDRO C#CCOc1ccccc1NC(=O)C(=O)N1CC[C@@H]2CC[C@H](C1)[N@@H+]2C(C)C ZINC000184842132 547886322 /nfs/dbraw/zinc/88/63/22/547886322.db2.gz WCOOWGIDNZIOEX-DLBZAZTESA-N 1 0 369.465 2.111 20 30 FEEDRO C=C(C)[C@@H](NC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1)c1ccc(F)c(F)c1 ZINC000184853514 547887027 /nfs/dbraw/zinc/88/70/27/547887027.db2.gz IMRTYYUJGQKBFP-KBXCAEBGSA-N 1 0 365.424 2.108 20 30 FEEDRO COc1cc(C#N)ccc1S(=O)(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000185442958 547985268 /nfs/dbraw/zinc/98/52/68/547985268.db2.gz DQKWQKSXCAPZMM-UHFFFAOYSA-N 1 0 359.451 2.107 20 30 FEEDRO CC[N@H+](C)Cc1cccc(CNS(=O)(=O)c2ccc(C#N)cc2OC)c1 ZINC000185493248 547991948 /nfs/dbraw/zinc/99/19/48/547991948.db2.gz QQTVLQGTRCJGGC-UHFFFAOYSA-N 1 0 373.478 2.497 20 30 FEEDRO C=CCOc1cc(OC)ccc1C(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000188661369 548284420 /nfs/dbraw/zinc/28/44/20/548284420.db2.gz GYLLGUQRDIEEBW-OAHLLOKOSA-N 1 0 362.470 2.177 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)NC[C@@](C)(C(=O)OCC)c2ccccc2)CC1 ZINC000189687525 548308265 /nfs/dbraw/zinc/30/82/65/548308265.db2.gz LJLBKSGTHHDYPT-OAQYLSRUSA-N 1 0 373.497 2.457 20 30 FEEDRO C=CCN(CCOC)CC(=O)Nc1cccc(I)c1 ZINC000191109558 548339877 /nfs/dbraw/zinc/33/98/77/548339877.db2.gz OESZTLCMUXKIEH-UHFFFAOYSA-N 1 0 374.222 2.364 20 30 FEEDRO C[C@@H]1CC(O)C[C@H](C)[N@H+]1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000191193600 548341930 /nfs/dbraw/zinc/34/19/30/548341930.db2.gz XGEXNYYSIBUENM-VMZNBEPHSA-N 1 0 368.399 2.407 20 30 FEEDRO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000192126964 548358928 /nfs/dbraw/zinc/35/89/28/548358928.db2.gz NJQFIVQQADGITH-XHBKTUGNSA-N 1 0 351.397 2.393 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2nc(C(C)C)cs2)CC1 ZINC000192893803 548374793 /nfs/dbraw/zinc/37/47/93/548374793.db2.gz YLIIJLOSDDLXLR-UHFFFAOYSA-N 1 0 350.488 2.362 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)Nc1ccc(Cl)cn1)C(C)C ZINC000192936297 548376616 /nfs/dbraw/zinc/37/66/16/548376616.db2.gz FZDTXFCKFUNHPE-OAHLLOKOSA-N 1 0 364.877 2.488 20 30 FEEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)c1 ZINC000193620213 548392010 /nfs/dbraw/zinc/39/20/10/548392010.db2.gz FWXADWNFXQNWBW-GBESFXJTSA-N 1 0 354.498 2.432 20 30 FEEDRO CCOC1CC(CNC(=[NH2+])N[C@H](C)CCCC(C)C)(N2CCOCC2)C1 ZINC000193827275 548398147 /nfs/dbraw/zinc/39/81/47/548398147.db2.gz NCEYNARRIOLQKB-PGYGNJIDSA-N 1 0 368.566 2.375 20 30 FEEDRO N#CC1(NC(=O)[C@@H]2CCCc3nccn32)CC[NH+](Cc2ccccc2)CC1 ZINC000487217451 561366359 /nfs/dbraw/zinc/36/63/59/561366359.db2.gz RUMTVWDLCKTFOI-SFHVURJKSA-N 1 0 363.465 2.435 20 30 FEEDRO N#CC1(NC(=O)[C@H]2CCCc3nccn32)CC[NH+](Cc2ccccc2)CC1 ZINC000487217450 561366389 /nfs/dbraw/zinc/36/63/89/561366389.db2.gz RUMTVWDLCKTFOI-GOSISDBHSA-N 1 0 363.465 2.435 20 30 FEEDRO C=CCN1C(=S)N=NC1c1sc(NC(=O)[C@H]2CCCC[NH2+]2)nc1C ZINC000237670939 548843830 /nfs/dbraw/zinc/84/38/30/548843830.db2.gz SKZCMTVICNIYHG-SNVBAGLBSA-N 1 0 364.500 2.265 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N[C@@H]2CCCC[C@H]2C[NH3+])cc1C(F)(F)F ZINC000237933860 548865041 /nfs/dbraw/zinc/86/50/41/548865041.db2.gz ZCRZXUJDLIRYMA-SMDDNHRTSA-N 1 0 361.389 2.373 20 30 FEEDRO COCCN(CCS(=O)(=O)c1ccc(C#N)cc1)[C@H]1CCC[C@H]1C ZINC000487978305 561380433 /nfs/dbraw/zinc/38/04/33/561380433.db2.gz XNTHMPLDDOTTNX-QAPCUYQASA-N 1 0 350.484 2.469 20 30 FEEDRO Cc1cc(C)c(C#N)c(N2CCN(CC(=O)N(C)C3CCCCC3)CC2)n1 ZINC000487990516 561380641 /nfs/dbraw/zinc/38/06/41/561380641.db2.gz BNSTYMUQSWBFII-UHFFFAOYSA-N 1 0 369.513 2.483 20 30 FEEDRO C[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc(F)c(C#N)c2)[C@H]1c1ccccc1 ZINC000245624432 548960428 /nfs/dbraw/zinc/96/04/28/548960428.db2.gz GBOYOCNYLHFLBM-ZWKOTPCHSA-N 1 0 366.396 2.197 20 30 FEEDRO C[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccc(F)cc2C#N)[C@H]1c1ccccc1 ZINC000245641873 548964155 /nfs/dbraw/zinc/96/41/55/548964155.db2.gz KQTSMHYKOYVWOB-QZTJIDSGSA-N 1 0 366.396 2.197 20 30 FEEDRO C[C@@H]1CC[N@H+](CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)C[C@H]1C ZINC000245858523 549005494 /nfs/dbraw/zinc/00/54/94/549005494.db2.gz HLLOZHPIVFFRJQ-BRWVUGGUSA-N 1 0 360.527 2.435 20 30 FEEDRO CO[C@@H]1CC[C@@H]2OCCN(Cc3nnc(-c4ccc(C#N)cc4)o3)[C@H]2C1 ZINC000246700728 549192489 /nfs/dbraw/zinc/19/24/89/549192489.db2.gz NCQKWIRBCQWUMR-IKGGRYGDSA-N 1 0 354.410 2.377 20 30 FEEDRO N#Cc1cc(S(=O)(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)ccc1F ZINC000246764490 549206779 /nfs/dbraw/zinc/20/67/79/549206779.db2.gz YIGXVGVUARGFBZ-SCLBCKFNSA-N 1 0 363.458 2.335 20 30 FEEDRO C=CCn1cccc1C(=O)N1CCN(c2ccc(C[NH+](C)C)cn2)CC1 ZINC000488935702 561400020 /nfs/dbraw/zinc/40/00/20/561400020.db2.gz DUABUGBLGNZOEY-UHFFFAOYSA-N 1 0 353.470 2.093 20 30 FEEDRO CC(=O)N1CC[C@H](C[N@@H+](C)[C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000246936887 549246690 /nfs/dbraw/zinc/24/66/90/549246690.db2.gz SDKMYBFTAYISBP-TZMCWYRMSA-N 1 0 374.510 2.236 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)c2cccc(-c3nnc(CCOC)o3)c2)CC1 ZINC000489051330 561402237 /nfs/dbraw/zinc/40/22/37/561402237.db2.gz HCWQGHVZVHWEHL-UHFFFAOYSA-N 1 0 370.453 2.306 20 30 FEEDRO C[C@H]1CCC[N@@H+](C(C)(C)CNS(=O)(=O)c2ccc(C#N)c(F)c2)C1 ZINC000489111661 561403577 /nfs/dbraw/zinc/40/35/77/561403577.db2.gz PPHYLIPMAZBZKP-ZDUSSCGKSA-N 1 0 353.463 2.486 20 30 FEEDRO C[C@H](CNS(=O)(=O)c1ccc(C#N)c(F)c1)[N@H+](C)Cc1ccccc1 ZINC000489241044 561406383 /nfs/dbraw/zinc/40/63/83/561406383.db2.gz PHWVCKFSDWJUAN-CQSZACIVSA-N 1 0 361.442 2.496 20 30 FEEDRO C[C@H](O)C[N@@H+]1CCN(C(=O)CCCCOc2cccc(C#N)c2)[C@@H](C)C1 ZINC000248995812 549537592 /nfs/dbraw/zinc/53/75/92/549537592.db2.gz ZOXGQSAYQDGSLO-IRXDYDNUSA-N 1 0 359.470 2.021 20 30 FEEDRO C=CCOc1cccc(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](CC)C[C@@H]2C)c1 ZINC000249186997 549566899 /nfs/dbraw/zinc/56/68/99/549566899.db2.gz OGNBQLOLHXHUDD-YJBOKZPZSA-N 1 0 359.470 2.379 20 30 FEEDRO C[C@H](O)C[N@@H+]1CCN(CC#Cc2ccc(OC(F)(F)F)cc2)[C@H](C)C1 ZINC000249259424 549572988 /nfs/dbraw/zinc/57/29/88/549572988.db2.gz GUDHYZXJZMXRBQ-CABCVRRESA-N 1 0 356.388 2.324 20 30 FEEDRO CCC[C@H]1CN([C@H](C)C(=O)Nc2ccccc2C#N)CC[N@@H+]1CCOC ZINC000252799231 549678499 /nfs/dbraw/zinc/67/84/99/549678499.db2.gz AGZCYDMZUJYUIE-AEFFLSMTSA-N 1 0 358.486 2.318 20 30 FEEDRO C=CCCS(=O)(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1 ZINC000252735320 549678637 /nfs/dbraw/zinc/67/86/37/549678637.db2.gz JZEBJPWKOVDMCY-HOTGVXAUSA-N 1 0 358.891 2.207 20 30 FEEDRO CC[S@](=O)[C@H]1CCC[C@@H](NC(NCc2ccc3c(c2)OCO3)=[NH+]C)C1 ZINC000261669743 549740713 /nfs/dbraw/zinc/74/07/13/549740713.db2.gz GPUKVNCYYHJMNB-XESHVACXSA-N 1 0 365.499 2.160 20 30 FEEDRO C[NH+]=C(N[C@@H]1C[C@H]1Cc1ccccc1)N1CCO[C@@H](c2cnn(C)c2)C1 ZINC000261754232 549751655 /nfs/dbraw/zinc/75/16/55/549751655.db2.gz MDWQXRFPFUSTJO-BHIYHBOVSA-N 1 0 353.470 2.000 20 30 FEEDRO C=CCOc1ccccc1C[NH+]1CCC(c2nnc3n2CCNC3)CC1 ZINC000261841027 549761327 /nfs/dbraw/zinc/76/13/27/549761327.db2.gz WGPRWFJRVLKVIU-UHFFFAOYSA-N 1 0 353.470 2.326 20 30 FEEDRO C[NH+]=C(NCc1nc(C(F)(F)F)cs1)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000261955260 549773625 /nfs/dbraw/zinc/77/36/25/549773625.db2.gz IOXVSBHKDVLEMJ-KOLCDFICSA-N 1 0 361.437 2.310 20 30 FEEDRO C[NH+]=C(NCCc1cc2ccccc2o1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261956712 549773771 /nfs/dbraw/zinc/77/37/71/549773771.db2.gz IYYXMZNUPWLWCY-UHFFFAOYSA-N 1 0 363.483 2.060 20 30 FEEDRO Cc1nnc(CNC(=[NH+]C2CC2)N2CC[C@H](Cc3ccccc3)C2)n1C ZINC000261953213 549773802 /nfs/dbraw/zinc/77/38/02/549773802.db2.gz HYMVEFMWQBOINB-QGZVFWFLSA-N 1 0 352.486 2.296 20 30 FEEDRO C[NH+]=C(NCCS(C)(=O)=O)N[C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000261961375 549774374 /nfs/dbraw/zinc/77/43/74/549774374.db2.gz KHONZDDYCWUDKD-HNNXBMFYSA-N 1 0 365.499 2.033 20 30 FEEDRO C[NH+]=C(NCC1(CO)CCOCC1)N[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000261964021 549774647 /nfs/dbraw/zinc/77/46/47/549774647.db2.gz LBTKJAFGRKPKGJ-MRXNPFEDSA-N 1 0 361.486 2.243 20 30 FEEDRO [NH2+]=C(NCc1nnc2n1CCCC2)Nc1ccc(OC(F)(F)F)cc1 ZINC000262019548 549780594 /nfs/dbraw/zinc/78/05/94/549780594.db2.gz XHJXZPZRBGLOAN-UHFFFAOYSA-N 1 0 354.336 2.440 20 30 FEEDRO C[NH+]=C(NCc1cn2ccccc2n1)N1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000262026500 549781786 /nfs/dbraw/zinc/78/17/86/549781786.db2.gz ZUNYXVCSLMMNFR-NVXWUHKLSA-N 1 0 351.458 2.189 20 30 FEEDRO [NH2+]=C(NC[C@@H]1CCCS(=O)(=O)C1)Nc1ccc(OC(F)(F)F)cc1 ZINC000262255226 549802822 /nfs/dbraw/zinc/80/28/22/549802822.db2.gz DWKCIDGPHLGALF-JTQLQIEISA-N 1 0 365.377 2.137 20 30 FEEDRO Cc1ccc(CNC(NC[C@@H]2CCS(=O)(=O)C2)=[NH+]C2CCCC2)s1 ZINC000262334347 549811869 /nfs/dbraw/zinc/81/18/69/549811869.db2.gz BNDCWBWAFSQZNW-AWEZNQCLSA-N 1 0 369.556 2.469 20 30 FEEDRO C[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N1CC2(CCCC2)c2ccccc21 ZINC000262391565 549816489 /nfs/dbraw/zinc/81/64/89/549816489.db2.gz MGJYIFMNTWMEOD-HNNXBMFYSA-N 1 0 361.511 2.329 20 30 FEEDRO C[NH+]=C(NCC(=O)N1CCc2ccccc21)NCc1sc(C)nc1C ZINC000262419207 549818331 /nfs/dbraw/zinc/81/83/31/549818331.db2.gz QRVSARNGVFZSJN-UHFFFAOYSA-N 1 0 357.483 2.014 20 30 FEEDRO C[NH+]=C(NCc1nnc2n1CCCC2)N1CC[C@@H](Cc2ccccc2)C1 ZINC000262432871 549819641 /nfs/dbraw/zinc/81/96/41/549819641.db2.gz FQRJXJWGLPCJBD-KRWDZBQOSA-N 1 0 352.486 2.254 20 30 FEEDRO CC[NH+]=C(NCCc1cn2ccccc2n1)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000262447686 549820575 /nfs/dbraw/zinc/82/05/75/549820575.db2.gz JFKOENBYNUFNKP-MRXNPFEDSA-N 1 0 365.485 2.065 20 30 FEEDRO C[NH+]=C(NC[C@H](c1ccco1)N1CCCC1)N[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000262467615 549822298 /nfs/dbraw/zinc/82/22/98/549822298.db2.gz TXVKRZZZLZUAAM-JOCBIADPSA-N 1 0 360.502 2.395 20 30 FEEDRO N#Cc1ccc(NC(=O)C(=O)N2CC[NH+](C3CCCC3)CC2)c(Cl)c1 ZINC000490414481 561432624 /nfs/dbraw/zinc/43/26/24/561432624.db2.gz YDICIBYACFNSCM-UHFFFAOYSA-N 1 0 360.845 2.237 20 30 FEEDRO CC(=O)N1CCN(C(NCc2cccs2)=[NH+]CCc2ccco2)CC1 ZINC000263266122 549890305 /nfs/dbraw/zinc/89/03/05/549890305.db2.gz VGTHWXDTQQZPPH-UHFFFAOYSA-N 1 0 360.483 2.194 20 30 FEEDRO C[NH+]=C(NCc1ccco1)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000264042320 549972101 /nfs/dbraw/zinc/97/21/01/549972101.db2.gz JJSJFOLMFMUQCL-UHFFFAOYSA-N 1 0 356.470 2.354 20 30 FEEDRO COc1ccc(CNC(=[NH2+])NCCn2cnc3ccccc32)cc1OC ZINC000264075123 549976010 /nfs/dbraw/zinc/97/60/10/549976010.db2.gz GZIYLXIUDGSPHN-UHFFFAOYSA-N 1 0 353.426 2.158 20 30 FEEDRO COc1cc(CNC(=[NH2+])Nc2cc(C)cc(C)c2)ccc1OCC(N)=O ZINC000264103227 549979516 /nfs/dbraw/zinc/97/95/16/549979516.db2.gz OQHLNIRLPKGYOA-UHFFFAOYSA-N 1 0 356.426 2.103 20 30 FEEDRO COc1ccc(NC(=[NH2+])NCC(C)(C)N2C[C@H](C)O[C@@H](C)C2)cc1OC ZINC000264123988 549981808 /nfs/dbraw/zinc/98/18/08/549981808.db2.gz RSAPXKKPSJDZJB-KBPBESRZSA-N 1 0 364.490 2.318 20 30 FEEDRO COCc1cccc(CNC(=[NH2+])NCCc2ccc(OC)c(OC)c2)c1 ZINC000264127201 549981896 /nfs/dbraw/zinc/98/18/96/549981896.db2.gz WVAUEAKOSXBFHT-UHFFFAOYSA-N 1 0 357.454 2.497 20 30 FEEDRO C=CCN(C(=O)c1ccc(C[NH+]2CCCC2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000264155268 549986374 /nfs/dbraw/zinc/98/63/74/549986374.db2.gz ILJUYMZMQIWCEZ-GOSISDBHSA-N 1 0 362.495 2.098 20 30 FEEDRO CC(C)(C)OCc1cccc(CNC(=[NH2+])NCCCN2CCOCC2)c1 ZINC000264239965 549993310 /nfs/dbraw/zinc/99/33/10/549993310.db2.gz DUHFEEILFIMFMD-UHFFFAOYSA-N 1 0 362.518 2.128 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N(C)Cc2cnn(-c3ccccc3)n2)CC1 ZINC000264421087 549995867 /nfs/dbraw/zinc/99/58/67/549995867.db2.gz WQKKLPJHODBFQK-UHFFFAOYSA-N 1 0 368.485 2.449 20 30 FEEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)NCC(C)(C)[NH+](C)C ZINC000264486474 549996616 /nfs/dbraw/zinc/99/66/16/549996616.db2.gz AEPYJJBSTQHMFI-CYBMUJFWSA-N 1 0 362.499 2.333 20 30 FEEDRO C=CCOc1ccc(/C=C/C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)cc1OC ZINC000264463528 549996848 /nfs/dbraw/zinc/99/68/48/549996848.db2.gz SCOJDYIVAWHBBV-LKUPDRCFSA-N 1 0 373.497 2.025 20 30 FEEDRO CCc1nc(CN(C(C)=O)[C@@H]2CC[N@H+](Cc3cccc(C#N)c3)C2)no1 ZINC000266084802 550016679 /nfs/dbraw/zinc/01/66/79/550016679.db2.gz GURMUEAZKPEJDY-QGZVFWFLSA-N 1 0 353.426 2.127 20 30 FEEDRO CC[NH+]1CCC(N[C@@H](C)C(=O)N(CCC#N)c2ccccc2OC)CC1 ZINC000266133342 550018004 /nfs/dbraw/zinc/01/80/04/550018004.db2.gz RRQPQTIRPTYOND-INIZCTEOSA-N 1 0 358.486 2.404 20 30 FEEDRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N(C)C[C@@H](C)C#N ZINC000266429278 550020632 /nfs/dbraw/zinc/02/06/32/550020632.db2.gz KLHLBHDXSIBWGF-HNNXBMFYSA-N 1 0 359.474 2.460 20 30 FEEDRO NC(=O)C1(CNC(=[NH2+])Nc2cccc(Oc3ccccc3)c2)CCOCC1 ZINC000266984650 550025884 /nfs/dbraw/zinc/02/58/84/550025884.db2.gz PHCDVZIUEBFELW-UHFFFAOYSA-N 1 0 368.437 2.488 20 30 FEEDRO Cc1ncsc1CCO[NH+]=C(N)c1ccc(N2CCC(O)CC2)cc1 ZINC000267078878 550027035 /nfs/dbraw/zinc/02/70/35/550027035.db2.gz KAWZGQOCGFXANP-UHFFFAOYSA-N 1 0 360.483 2.292 20 30 FEEDRO COc1ccc(CCNC(=[NH2+])NCCc2cccc(C(=O)N(C)C)c2)cc1 ZINC000267393890 550030416 /nfs/dbraw/zinc/03/04/16/550030416.db2.gz DQDBJNZYJIPGHB-UHFFFAOYSA-N 1 0 368.481 2.087 20 30 FEEDRO CCNC(NCCCc1nn(-c2ccc(C)cc2)c(N)c1C#N)=[NH+]CC ZINC000267391306 550030432 /nfs/dbraw/zinc/03/04/32/550030432.db2.gz DCTXJOZTUBANBV-UHFFFAOYSA-N 1 0 353.474 2.142 20 30 FEEDRO N#CCOc1cccc(NC(=O)C(=O)NC2CC[NH+](C3CCCC3)CC2)c1 ZINC000267414178 550031040 /nfs/dbraw/zinc/03/10/40/550031040.db2.gz YUPSTYZDFMEDHF-UHFFFAOYSA-N 1 0 370.453 2.051 20 30 FEEDRO COc1ccc(CCNC(=[NH2+])NCc2cn3c(cccc3C)n2)cc1OC ZINC000267449644 550031689 /nfs/dbraw/zinc/03/16/89/550031689.db2.gz QZHKILZCYDKAKK-UHFFFAOYSA-N 1 0 367.453 2.307 20 30 FEEDRO C[C@H](CNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1)CN1CCOCC1 ZINC000267450409 550031876 /nfs/dbraw/zinc/03/18/76/550031876.db2.gz RFLFXFCESJIBLR-GFCCVEGCSA-N 1 0 360.380 2.280 20 30 FEEDRO C[C@H](NC(=O)C(=O)Nc1ccc(C#N)cc1Cl)C(C)(C)C[NH+](C)C ZINC000491446508 561445632 /nfs/dbraw/zinc/44/56/32/561445632.db2.gz MMHUGVFFBTVHPT-NSHDSACASA-N 1 0 350.850 2.243 20 30 FEEDRO COCC1(C#N)CCN(C(=O)Nc2cccc(OCC[NH+](C)C)c2)CC1 ZINC000492109312 561449479 /nfs/dbraw/zinc/44/94/79/561449479.db2.gz MHMBLQBCHNXQMC-UHFFFAOYSA-N 1 0 360.458 2.411 20 30 FEEDRO C=CCOc1ccccc1CNC(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000269035241 550147067 /nfs/dbraw/zinc/14/70/67/550147067.db2.gz UNPJNRFLDBYWAC-MOPGFXCFSA-N 1 0 373.497 2.428 20 30 FEEDRO C[C@@H](CNC(=O)C(=O)Nc1ccc(C#N)cc1Cl)[NH+]1CCC(C)CC1 ZINC000269115546 550156961 /nfs/dbraw/zinc/15/69/61/550156961.db2.gz QZNRHCBNODGNSJ-ZDUSSCGKSA-N 1 0 362.861 2.387 20 30 FEEDRO C=CCOc1ccc(C(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)cc1OC ZINC000269281602 550176327 /nfs/dbraw/zinc/17/63/27/550176327.db2.gz AYHRBTYABLNYMO-QGZVFWFLSA-N 1 0 362.470 2.227 20 30 FEEDRO C=CCCOCCNC(=O)NC[C@@H](c1ccc(OC)c(OC)c1)[NH+](C)C ZINC000270418877 550270632 /nfs/dbraw/zinc/27/06/32/550270632.db2.gz MRAYRYRSZAQRFD-INIZCTEOSA-N 1 0 365.474 2.198 20 30 FEEDRO N#Cc1csc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)c1 ZINC000270584424 550286540 /nfs/dbraw/zinc/28/65/40/550286540.db2.gz DFJXEJGOYLMXBI-DLBZAZTESA-N 1 0 355.463 2.233 20 30 FEEDRO N#CCc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2CO)cc1 ZINC000270810408 550309241 /nfs/dbraw/zinc/30/92/41/550309241.db2.gz GYEJJWABDOYKKB-LEWJYISDSA-N 1 0 363.461 2.365 20 30 FEEDRO CC(=O)N1CC[N@H+](C[C@H](O)COc2ccc(C#N)cc2)CC12CCCCC2 ZINC000270944747 550324313 /nfs/dbraw/zinc/32/43/13/550324313.db2.gz ZHJVHHZTULAITM-IBGZPJMESA-N 1 0 371.481 2.165 20 30 FEEDRO CS(=O)(=O)N1CCC[C@@H]([NH2+]C2CCC(C#N)(c3ccccc3)CC2)C1 ZINC000271084911 550338863 /nfs/dbraw/zinc/33/88/63/550338863.db2.gz SPVGOPDAUSHWCT-JLAWEPINSA-N 1 0 361.511 2.404 20 30 FEEDRO COc1cccc([C@H](C)[NH2+]CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)c1 ZINC000271708427 550396628 /nfs/dbraw/zinc/39/66/28/550396628.db2.gz UPGMWZFRMNQYMG-LPHOPBHVSA-N 1 0 358.486 2.038 20 30 FEEDRO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@@H](C)c1cc(OC)c(OC)c(OC)c1 ZINC000271826059 550404505 /nfs/dbraw/zinc/40/45/05/550404505.db2.gz WHVBLPXESIOMER-KBPBESRZSA-N 1 0 363.458 2.371 20 30 FEEDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)CCCC(=O)Nc3ccccc3C#N)[C@@H]2C1 ZINC000272620326 550461217 /nfs/dbraw/zinc/46/12/17/550461217.db2.gz LSHUPPZSWHFXLN-CRAIPNDOSA-N 1 0 354.454 2.220 20 30 FEEDRO C=CCS(=O)(=O)CC[NH2+][C@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000272842001 550473032 /nfs/dbraw/zinc/47/30/32/550473032.db2.gz JUPKVBKQDKCSIM-CYBMUJFWSA-N 1 0 351.472 2.222 20 30 FEEDRO N#Cc1cc(Br)ccc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000272896470 550475750 /nfs/dbraw/zinc/47/57/50/550475750.db2.gz YXMQAMSLPQOJBD-ZDUSSCGKSA-N 1 0 350.260 2.479 20 30 FEEDRO C=CCN(C(=O)CC[C@H]1CCC[NH2+]1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000494531550 561471289 /nfs/dbraw/zinc/47/12/89/561471289.db2.gz ZRUOQCTUFMKLTC-DOTOQJQBSA-N 1 0 354.458 2.270 20 30 FEEDRO NC(=[NH+]OCC1CCS(=O)(=O)CC1)c1ccc(N2CCCCC2)cc1 ZINC000273593955 550504658 /nfs/dbraw/zinc/50/46/58/550504658.db2.gz HVZFCCPDIWIZBU-UHFFFAOYSA-N 1 0 365.499 2.139 20 30 FEEDRO C#CCN(C(=O)N[C@H](c1nccn1C)c1cc(OC)cc(OC)c1)C1CC1 ZINC000274075053 550522114 /nfs/dbraw/zinc/52/21/14/550522114.db2.gz GCSIIWJKZKRPQQ-SFHVURJKSA-N 1 0 368.437 2.334 20 30 FEEDRO N#Cc1ccc(N2CCC[C@H]([NH2+]C3CCC4(CC3)OCCO4)C2=O)cc1 ZINC000274206271 550527964 /nfs/dbraw/zinc/52/79/64/550527964.db2.gz MGBJCTDUMKBSPB-SFHVURJKSA-N 1 0 355.438 2.329 20 30 FEEDRO CS[C@H]1CN(S(=O)(=O)c2cccc(C)c2C#N)C[C@H]1[NH+]1CCCC1 ZINC000274744643 550551690 /nfs/dbraw/zinc/55/16/90/550551690.db2.gz GLLMWHVTVLFDRM-CVEARBPZSA-N 1 0 365.524 2.067 20 30 FEEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCC(=O)N[C@@](C)(C#N)C1CC1 ZINC000274838552 550558447 /nfs/dbraw/zinc/55/84/47/550558447.db2.gz NWUDVWGYZKWGMH-BSIFCXSSSA-N 1 0 354.498 2.295 20 30 FEEDRO O=C(NCC[N@@H+]1CCCOCC1)Nc1cccc(C#Cc2ccccn2)c1 ZINC000275457318 550572283 /nfs/dbraw/zinc/57/22/83/550572283.db2.gz AWJGFMNNFIIVGS-UHFFFAOYSA-N 1 0 364.449 2.325 20 30 FEEDRO CCOc1cc(NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C)ccc1C ZINC000275904371 550575141 /nfs/dbraw/zinc/57/51/41/550575141.db2.gz RHZBQNMULUMQCM-UHFFFAOYSA-N 1 0 360.458 2.026 20 30 FEEDRO C[NH+](C)CCOc1cnccc1CNC(=O)[C@H](C#N)CCc1ccccc1 ZINC000494684066 561474140 /nfs/dbraw/zinc/47/41/40/561474140.db2.gz CRMLIUUWUUDROH-SFHVURJKSA-N 1 0 366.465 2.411 20 30 FEEDRO C[NH+](C)[C@@H]1CCCN(CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CC1 ZINC000277208077 550643296 /nfs/dbraw/zinc/64/32/96/550643296.db2.gz MZXSTNBIKHUJNI-QGZVFWFLSA-N 1 0 366.469 2.099 20 30 FEEDRO COc1ccc(NC(=[NH2+])NCCOCC(F)(F)C(F)F)cc1OC ZINC000277584951 550687954 /nfs/dbraw/zinc/68/79/54/550687954.db2.gz VAMVJCGSOJFMKW-UHFFFAOYSA-N 1 0 353.316 2.347 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N2CCC[C@@H](Oc3ncccc3F)C2)CC1 ZINC000278468261 550789814 /nfs/dbraw/zinc/78/98/14/550789814.db2.gz QAPIKPGSFBQZNN-MRXNPFEDSA-N 1 0 362.449 2.424 20 30 FEEDRO COC[C@@H]([NH2+]CC(=O)N(CCC#N)c1ccc(C)c(C)c1)[C@@H]1CCCO1 ZINC000278997066 550844931 /nfs/dbraw/zinc/84/49/31/550844931.db2.gz CFJSNVRCLGQYQN-MOPGFXCFSA-N 1 0 359.470 2.334 20 30 FEEDRO COCC[NH+]1CCC(NC(=O)c2cc(-c3cccc(C#N)c3)no2)CC1 ZINC000279323416 550877518 /nfs/dbraw/zinc/87/75/18/550877518.db2.gz XREHNMGLDPJLDC-UHFFFAOYSA-N 1 0 354.410 2.054 20 30 FEEDRO C[N@H+](CCCO)C1CCN(C(=O)c2cc(-c3cccc(C#N)c3)no2)CC1 ZINC000279455252 550892278 /nfs/dbraw/zinc/89/22/78/550892278.db2.gz MLCYJGYSOBXREH-UHFFFAOYSA-N 1 0 368.437 2.132 20 30 FEEDRO N#Cc1ccc(C[C@@H](C#N)C(=O)NCCN2CCc3ccccc3C2)cc1 ZINC000279685764 550916765 /nfs/dbraw/zinc/91/67/65/550916765.db2.gz HIQXODTYJNPSIH-NRFANRHFSA-N 1 0 358.445 2.415 20 30 FEEDRO C=C(C)[C@H]1OCC[C@H]1C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000280162929 550966806 /nfs/dbraw/zinc/96/68/06/550966806.db2.gz IGAYHVBYFKJMJH-VAMGGRTRSA-N 1 0 358.482 2.241 20 30 FEEDRO CS[C@@H]1CN(C(=O)[C@H](C#N)Cc2ccc(C#N)cc2)C[C@@H]1[NH+]1CCCC1 ZINC000280208215 550971605 /nfs/dbraw/zinc/97/16/05/550971605.db2.gz FTNMYUVZUKCVKT-GBESFXJTSA-N 1 0 368.506 2.279 20 30 FEEDRO CC[NH+](CC)CCN(CCOC)C(=O)c1ccn(-c2cccc(C#N)c2)n1 ZINC000280933683 551047075 /nfs/dbraw/zinc/04/70/75/551047075.db2.gz AGOPFBPHKYQOIZ-UHFFFAOYSA-N 1 0 369.469 2.174 20 30 FEEDRO C[NH+](C)CCn1cc(NC(=O)c2ccc(C(C)(C)C#N)cc2)ccc1=O ZINC000281081894 551061575 /nfs/dbraw/zinc/06/15/75/551061575.db2.gz FDQRKLSKKDGLDI-UHFFFAOYSA-N 1 0 352.438 2.463 20 30 FEEDRO Cc1nc(C#N)c(N2CCC(C(=O)NCC(C)(C)C[NH+]3CCCC3)CC2)o1 ZINC000281423423 551095441 /nfs/dbraw/zinc/09/54/41/551095441.db2.gz AWQIMLZPDZNWEV-UHFFFAOYSA-N 1 0 373.501 2.309 20 30 FEEDRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2ccc(C#N)c(OC)c2)cc1 ZINC000281638196 551123991 /nfs/dbraw/zinc/12/39/91/551123991.db2.gz IRHNFBKXKVSHGN-ZDUSSCGKSA-N 1 0 359.451 2.326 20 30 FEEDRO C=CCn1c(-c2cnn(C)c2)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC000282413343 551225458 /nfs/dbraw/zinc/22/54/58/551225458.db2.gz XLZRNOOCQVNJHY-UHFFFAOYSA-N 1 0 355.490 2.319 20 30 FEEDRO C[C@@H]([NH2+]C(C)(C)CNS(=O)(=O)N(C)C[C@H](C)C#N)c1ccccc1 ZINC000282556956 551246105 /nfs/dbraw/zinc/24/61/05/551246105.db2.gz FFYZMHPSCXTRFC-HUUCEWRRSA-N 1 0 352.504 2.042 20 30 FEEDRO N#Cc1ccnc(C(=O)NCc2ccc(OCC[NH+]3CCCC3)cc2)c1 ZINC000497738801 561507581 /nfs/dbraw/zinc/50/75/81/561507581.db2.gz HYPHWUIKSVXQCD-UHFFFAOYSA-N 1 0 350.422 2.358 20 30 FEEDRO C=C(C)Cn1c(-c2ccccn2)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC000283437021 551365979 /nfs/dbraw/zinc/36/59/79/551365979.db2.gz YOVOVNZCQXMULR-UHFFFAOYSA-N 1 0 368.485 2.217 20 30 FEEDRO C[N@@H+]1CCN(CCCNC(=O)c2cc(C#N)ccn2)[C@@H](c2ccccc2)C1 ZINC000283733214 551418598 /nfs/dbraw/zinc/41/85/98/551418598.db2.gz MBBHZARBEXVDEG-HXUWFJFHSA-N 1 0 363.465 2.062 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N(C)[C@H](C)c1cccnc1)C(C)C ZINC000284062450 551476929 /nfs/dbraw/zinc/47/69/29/551476929.db2.gz NLKUCCUFEAULST-MJGOQNOKSA-N 1 0 372.513 2.416 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CC(=O)N(C(C)(C)C)C1 ZINC000498381654 561523783 /nfs/dbraw/zinc/52/37/83/561523783.db2.gz GOOOSCWJYIDYBZ-SFHVURJKSA-N 1 0 370.497 2.095 20 30 FEEDRO CC[NH+](CC)[C@H](CNC(=O)Cc1noc(C)c1C#N)Cc1ccccc1 ZINC000498532890 561527218 /nfs/dbraw/zinc/52/72/18/561527218.db2.gz VARKGGWPBZWAOP-KRWDZBQOSA-N 1 0 354.454 2.467 20 30 FEEDRO CC[NH+]1CCN(Cc2ccc(NC(=O)Cc3noc(C)c3C#N)cc2)CC1 ZINC000498530032 561527087 /nfs/dbraw/zinc/52/70/87/561527087.db2.gz RFKTZMXMSGNYJX-UHFFFAOYSA-N 1 0 367.453 2.173 20 30 FEEDRO COC(=O)c1cnoc1CON=C(N)c1cccc(C[NH+]2CCCCC2)c1 ZINC000285018560 551690486 /nfs/dbraw/zinc/69/04/86/551690486.db2.gz DQNDDHJOGXGLCR-UHFFFAOYSA-N 1 0 372.425 2.284 20 30 FEEDRO C[NH+]1CCN(c2ncccc2CNC(=O)c2cc(C#N)ccc2Cl)CC1 ZINC000285088387 551703110 /nfs/dbraw/zinc/70/31/10/551703110.db2.gz MOSVXFUMTQKBGM-UHFFFAOYSA-N 1 0 369.856 2.288 20 30 FEEDRO Cn1cc([C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C(=O)NCCCC#N)cn1 ZINC000285110822 551706099 /nfs/dbraw/zinc/70/60/99/551706099.db2.gz YWAFCNXAKFCDLX-MOPGFXCFSA-N 1 0 351.454 2.056 20 30 FEEDRO N#CC1(CS(=O)(=O)N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)CC1 ZINC000285425846 551754720 /nfs/dbraw/zinc/75/47/20/551754720.db2.gz WCOMJFVYKLZFGF-LJQANCHMSA-N 1 0 359.495 2.218 20 30 FEEDRO C#CCCOc1ccc(C[NH2+][C@@H]2CCCN(S(=O)(=O)C3CC3)C2)cc1 ZINC000285504958 551766653 /nfs/dbraw/zinc/76/66/53/551766653.db2.gz NOBKRIZLDOLTLU-QGZVFWFLSA-N 1 0 362.495 2.135 20 30 FEEDRO O=C(C[NH2+][C@@H]1CCC[C@@H]1CCO)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000285591830 551779810 /nfs/dbraw/zinc/77/98/10/551779810.db2.gz BMYJNRIPRPEZIB-NVXWUHKLSA-N 1 0 368.399 2.314 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H](C)c2cccc(OCC)c2)CC1 ZINC000285640787 551787819 /nfs/dbraw/zinc/78/78/19/551787819.db2.gz VHUDGEDBYUOKON-MRXNPFEDSA-N 1 0 373.497 2.419 20 30 FEEDRO C[C@@](C#N)(NC(=O)CN1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1)C1CC1 ZINC000285679834 551794277 /nfs/dbraw/zinc/79/42/77/551794277.db2.gz USZLFHIACLNYHB-FCHUYYIVSA-N 1 0 366.509 2.393 20 30 FEEDRO C=C(C)CN(CC)C(=O)C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000285780758 551809724 /nfs/dbraw/zinc/80/97/24/551809724.db2.gz LJJUTHKXBBONTK-IBGZPJMESA-N 1 0 357.498 2.092 20 30 FEEDRO C=C(C)CN(Cc1ccccc1)C(=O)C(=O)NCCC1CC[NH+](C)CC1 ZINC000285873486 551821874 /nfs/dbraw/zinc/82/18/74/551821874.db2.gz ICJFCSHSBGJSDT-UHFFFAOYSA-N 1 0 357.498 2.439 20 30 FEEDRO C=CCC[C@@H]([NH2+]CCS(=O)(=O)NC[C@@H]1CCCCO1)c1ccco1 ZINC000286155549 551855406 /nfs/dbraw/zinc/85/54/06/551855406.db2.gz PQOXUTDCRMOUMW-JKSUJKDBSA-N 1 0 356.488 2.365 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)NCC[C@@H](C)c2ccc(OC)cc2)CC1 ZINC000286414844 551884668 /nfs/dbraw/zinc/88/46/68/551884668.db2.gz FMUVEGMJVLIPHS-MRXNPFEDSA-N 1 0 373.497 2.072 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H](Cc3ccccc3)C2)CC1 ZINC000286451344 551886887 /nfs/dbraw/zinc/88/68/87/551886887.db2.gz HNNLZZJLIPWCER-IBGZPJMESA-N 1 0 369.509 2.234 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2C[C@@H](C)[C@H]2c2ccccc2)CC1 ZINC000286626997 551907942 /nfs/dbraw/zinc/90/79/42/551907942.db2.gz MEKWKAJFEVEKDS-APWZRJJASA-N 1 0 355.482 2.363 20 30 FEEDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)NCCCCC#N ZINC000286774270 551924655 /nfs/dbraw/zinc/92/46/55/551924655.db2.gz RDNNNRRPMVAHQA-GOSISDBHSA-N 1 0 370.497 2.213 20 30 FEEDRO COc1ccc(NC(=[NH2+])NCCCn2cc(Br)cn2)cc1 ZINC000286980728 551947632 /nfs/dbraw/zinc/94/76/32/551947632.db2.gz CNFKCBYDNLFTDQ-UHFFFAOYSA-N 1 0 352.236 2.471 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)NCC2CC[NH+](Cc3cccs3)CC2)o1 ZINC000287061635 551958585 /nfs/dbraw/zinc/95/85/85/551958585.db2.gz WZOBIDXVETUPSK-UHFFFAOYSA-N 1 0 365.480 2.403 20 30 FEEDRO N#CCCCCNC(=O)N1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000287249735 551981205 /nfs/dbraw/zinc/98/12/05/551981205.db2.gz HHSNZIIUQUEIKV-FQEVSTJZSA-N 1 0 369.513 2.282 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1cccc(F)c1Cl ZINC000287717369 552037680 /nfs/dbraw/zinc/03/76/80/552037680.db2.gz JVCNJWMWKNEZCQ-UHFFFAOYSA-N 1 0 354.813 2.112 20 30 FEEDRO C=CCN(CC=C)C(=O)C(=O)NC1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000288305735 552129771 /nfs/dbraw/zinc/12/97/71/552129771.db2.gz UGUXBYDBSJRYBM-QZTJIDSGSA-N 1 0 369.509 2.460 20 30 FEEDRO C[C@@H]1CCC[C@@H]1CNC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000499915656 561561452 /nfs/dbraw/zinc/56/14/52/561561452.db2.gz PHOYLPPEKPUKTG-VQIMIIECSA-N 1 0 370.497 2.001 20 30 FEEDRO Cc1onc(CC(=O)Nc2cccc([C@H](C)N3CCOCC3)c2)c1C#N ZINC000499991677 561563583 /nfs/dbraw/zinc/56/35/83/561563583.db2.gz JYLFVBAEPIBOGW-ZDUSSCGKSA-N 1 0 354.410 2.429 20 30 FEEDRO C#CCNC(=O)c1cccc(-c2noc(C3CC[NH+](C4CC4)CC3)n2)c1 ZINC000288839614 552222401 /nfs/dbraw/zinc/22/24/01/552222401.db2.gz DHJKSDFPQRAFFP-UHFFFAOYSA-N 1 0 350.422 2.441 20 30 FEEDRO C=C(C)CN(CC)C(=O)C(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000289227574 552285525 /nfs/dbraw/zinc/28/55/25/552285525.db2.gz SZRNUSRDJJAWQM-PKOBYXMFSA-N 1 0 357.498 2.438 20 30 FEEDRO C=C(C)CN(CC)C(=O)C(=O)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000289227568 552285695 /nfs/dbraw/zinc/28/56/95/552285695.db2.gz SZRNUSRDJJAWQM-HKUYNNGSSA-N 1 0 357.498 2.438 20 30 FEEDRO C=CCCCCNC(=O)C(=O)Nc1cccc(NC(=O)C[NH+](CC)CC)c1 ZINC000289318689 552300392 /nfs/dbraw/zinc/30/03/92/552300392.db2.gz XAXYYHSFTHQKHG-UHFFFAOYSA-N 1 0 374.485 2.378 20 30 FEEDRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)c1cncc(C#N)c1 ZINC000289391558 552313294 /nfs/dbraw/zinc/31/32/94/552313294.db2.gz DOIVOLHFMNIZIM-KRWDZBQOSA-N 1 0 370.478 2.096 20 30 FEEDRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)c1cncc(C#N)c1 ZINC000289391561 552313434 /nfs/dbraw/zinc/31/34/34/552313434.db2.gz DOIVOLHFMNIZIM-QGZVFWFLSA-N 1 0 370.478 2.096 20 30 FEEDRO CCS[C@@H]1CCCC[C@H]1[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000289630864 552352517 /nfs/dbraw/zinc/35/25/17/552352517.db2.gz BNXLKPPRAUBLES-HUUCEWRRSA-N 1 0 353.513 2.381 20 30 FEEDRO Cn1cc(CN2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)cc1C#N ZINC000289681576 552361126 /nfs/dbraw/zinc/36/11/26/552361126.db2.gz NYSFPISFDORRET-NRFANRHFSA-N 1 0 363.509 2.289 20 30 FEEDRO COCCCn1nccc1CN(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000289877301 552393255 /nfs/dbraw/zinc/39/32/55/552393255.db2.gz RTRCBAGAISJAFJ-UHFFFAOYSA-N 1 0 355.486 2.355 20 30 FEEDRO C[C@@H](Cc1ccc(F)cc1Br)[NH2+]CCn1cnc(C#N)n1 ZINC000290081889 552424546 /nfs/dbraw/zinc/42/45/46/552424546.db2.gz IYOQKEQYRQFYGZ-JTQLQIEISA-N 1 0 352.211 2.272 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)Nc2cc(Cl)cc(C(N)=O)c2OC)CC1 ZINC000500737323 561580684 /nfs/dbraw/zinc/58/06/84/561580684.db2.gz HQKUOOZOSPXJDG-UHFFFAOYSA-N 1 0 366.849 2.219 20 30 FEEDRO CN(C)CC[N@H+](C)CCCN(C)C(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000290200469 552441488 /nfs/dbraw/zinc/44/14/88/552441488.db2.gz SLPSBDWLBRASTE-UHFFFAOYSA-N 1 0 369.469 2.169 20 30 FEEDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)Nc1ccc(C#N)c(F)c1 ZINC000290323820 552460152 /nfs/dbraw/zinc/46/01/52/552460152.db2.gz VXPBJZFHNUWCED-MJBXVCDLSA-N 1 0 360.433 2.118 20 30 FEEDRO C[C@H]1CN(S(=O)(=O)c2ccc(F)cc2C#N)CC[N@@H+](C2CCC2)C1 ZINC000291618472 552644006 /nfs/dbraw/zinc/64/40/06/552644006.db2.gz BZXNJUWLUYAKSP-CYBMUJFWSA-N 1 0 351.447 2.192 20 30 FEEDRO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000291814583 552664473 /nfs/dbraw/zinc/66/44/73/552664473.db2.gz NOZRPKIXZIVOJV-WIYYLYMNSA-N 1 0 357.498 2.312 20 30 FEEDRO COc1ccc(CCNC(=[NH2+])NCc2cc(C)nc(N3CCCC3)n2)cc1 ZINC000291946457 552677344 /nfs/dbraw/zinc/67/73/44/552677344.db2.gz QBAMRYYZACJXQN-UHFFFAOYSA-N 1 0 368.485 2.041 20 30 FEEDRO COc1ccc(NC(=O)CC[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1 ZINC000292239405 552707512 /nfs/dbraw/zinc/70/75/12/552707512.db2.gz QEOSRUHFEUKQBH-SFHVURJKSA-N 1 0 366.421 2.444 20 30 FEEDRO C[C@H](CNC(=O)N1CCN(c2cc(C#N)ccn2)CC1)[N@@H+]1CCCC[C@@H]1C ZINC000501528071 561599691 /nfs/dbraw/zinc/59/96/91/561599691.db2.gz BFERFHSAGXVXBT-DLBZAZTESA-N 1 0 370.501 2.048 20 30 FEEDRO N#Cc1ccc(NC(=O)C(=O)NCC2([NH+]3CCCCC3)CCCCC2)nc1 ZINC000292980554 552776920 /nfs/dbraw/zinc/77/69/20/552776920.db2.gz HNCMCCBDECJNLG-UHFFFAOYSA-N 1 0 369.469 2.197 20 30 FEEDRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)C(=O)Nc1sccc1C#N ZINC000293258195 552804210 /nfs/dbraw/zinc/80/42/10/552804210.db2.gz BWEJOKWZUXYZHQ-CYBMUJFWSA-N 1 0 356.451 2.195 20 30 FEEDRO C[N@@H+]1CC[C@@]2(CCN(C(=O)CCCC(=O)Nc3ccccc3C#N)C2)C1 ZINC000293616022 552840562 /nfs/dbraw/zinc/84/05/62/552840562.db2.gz DCEQNRRDHQTCTK-HXUWFJFHSA-N 1 0 354.454 2.221 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)CNC(=O)Nc2cccc(Cl)c2)CC1 ZINC000294438555 552906298 /nfs/dbraw/zinc/90/62/98/552906298.db2.gz AUOJPHIXDMIBJC-UHFFFAOYSA-N 1 0 350.850 2.228 20 30 FEEDRO CC[C@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1ccc(C(=O)OC)cc1 ZINC000294710615 552928652 /nfs/dbraw/zinc/92/86/52/552928652.db2.gz JNTPKGZOTSYMKP-DVEDPGPFSA-N 1 0 357.410 2.040 20 30 FEEDRO CC(C)(CCC#N)CNC(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000501859347 561606963 /nfs/dbraw/zinc/60/69/63/561606963.db2.gz WYWCTCWSYXJKSU-SFHVURJKSA-N 1 0 358.486 2.382 20 30 FEEDRO C[NH+]1CCC([C@H]2CCN(S(=O)(=O)Cc3ccc(F)cc3C#N)C2)CC1 ZINC000295233657 552973224 /nfs/dbraw/zinc/97/32/24/552973224.db2.gz XEXJDFMIMKDUOF-HNNXBMFYSA-N 1 0 365.474 2.191 20 30 FEEDRO N#Cc1ccc(C2=CCN(CC(=O)NC3CC[NH+](C4CC4)CC3)CC2)cc1 ZINC000502493210 561619640 /nfs/dbraw/zinc/61/96/40/561619640.db2.gz COLLLEPNTOQNEM-UHFFFAOYSA-N 1 0 364.493 2.390 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000296993221 553239563 /nfs/dbraw/zinc/23/95/63/553239563.db2.gz SSKBXEGRMTXDRC-UHFFFAOYSA-N 1 0 354.454 2.066 20 30 FEEDRO CC(C)(C)c1cc(C#N)c(NC(=O)C(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)s1 ZINC000297540564 553306304 /nfs/dbraw/zinc/30/63/04/553306304.db2.gz WQNZSWZWCFOTJM-CQSZACIVSA-N 1 0 372.494 2.328 20 30 FEEDRO CCc1noc(C)c1CNC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000297757423 553334916 /nfs/dbraw/zinc/33/49/16/553334916.db2.gz LYRNPAWMAVKSAD-UHFFFAOYSA-N 1 0 367.453 2.445 20 30 FEEDRO C=C(C)CN(CC)C(=O)C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000297783513 553338247 /nfs/dbraw/zinc/33/82/47/553338247.db2.gz HZKAHHOQAWXRBH-IBGZPJMESA-N 1 0 357.498 2.392 20 30 FEEDRO C=CCOc1c(Br)cc(C[NH2+]CC(=O)NC2CC2)cc1OC ZINC000298438523 553424818 /nfs/dbraw/zinc/42/48/18/553424818.db2.gz ZNEXDRLPWZBADT-UHFFFAOYSA-N 1 0 369.259 2.391 20 30 FEEDRO C=CCOc1ccccc1C(=O)NCCC[NH+]1CCC(C(=O)OC)CC1 ZINC000298503055 553433311 /nfs/dbraw/zinc/43/33/11/553433311.db2.gz IEZHCNIMIUVTAH-UHFFFAOYSA-N 1 0 360.454 2.256 20 30 FEEDRO COCC[N@H+](C)CCCNC(=O)NCCSCc1ccccc1C#N ZINC000298592584 553446046 /nfs/dbraw/zinc/44/60/46/553446046.db2.gz XNBAABKJIZMIMK-UHFFFAOYSA-N 1 0 364.515 2.059 20 30 FEEDRO N#Cc1ccccc1-c1ccc(C[N@H+]2CCC[C@]3(C2)NC(=O)NC3=O)cc1 ZINC000298629575 553451457 /nfs/dbraw/zinc/45/14/57/553451457.db2.gz VSMPQSWFKGMMOR-OAQYLSRUSA-N 1 0 360.417 2.399 20 30 FEEDRO CC(C)(C)[NH+]1CCC(NC(=O)N2CCN(c3cc(C#N)ccn3)CC2)CC1 ZINC000298949537 553493834 /nfs/dbraw/zinc/49/38/34/553493834.db2.gz KFYMXGBZQFFAEM-UHFFFAOYSA-N 1 0 370.501 2.048 20 30 FEEDRO C#CC[C@H]([NH2+]CCS(=O)(=O)CC(=O)OC(C)(C)C)c1ccccc1 ZINC000299166625 553524374 /nfs/dbraw/zinc/52/43/74/553524374.db2.gz XTURQNISDCBIPA-INIZCTEOSA-N 1 0 351.468 2.097 20 30 FEEDRO C=CCN(CCc1ccccc1)C(=O)C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000299179178 553525873 /nfs/dbraw/zinc/52/58/73/553525873.db2.gz PJTBQWIRTMGHAI-IBGZPJMESA-N 1 0 357.498 2.044 20 30 FEEDRO C#CCNC(=O)c1ccc(NC[C@H](C)[N@@H+]2CCc3sccc3C2)nc1 ZINC000301225738 553632923 /nfs/dbraw/zinc/63/29/23/553632923.db2.gz GDRGIHLJLZAHPN-AWEZNQCLSA-N 1 0 354.479 2.365 20 30 FEEDRO C[NH+](C)[C@@H](CNc1ccc(S(N)(=O)=O)cc1C#N)C1CCCCC1 ZINC000301339421 553643256 /nfs/dbraw/zinc/64/32/56/553643256.db2.gz DZGXTHUTQKTBNE-KRWDZBQOSA-N 1 0 350.488 2.128 20 30 FEEDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNc2ccc(S(N)(=O)=O)cc2C#N)C1 ZINC000301362543 553645769 /nfs/dbraw/zinc/64/57/69/553645769.db2.gz MJPHYVPIBOHUHR-GASCZTMLSA-N 1 0 364.515 2.376 20 30 FEEDRO N#Cc1ccc(C(F)(F)F)nc1N1CCC[C@@H]1C[N@H+]1CCC[C@@H]1CO ZINC000301576482 553662679 /nfs/dbraw/zinc/66/26/79/553662679.db2.gz YUMQZQGZMKFDHU-ZIAGYGMSSA-N 1 0 354.376 2.398 20 30 FEEDRO N#Cc1ccc(N2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)c(C(F)(F)F)c1 ZINC000301971374 553695239 /nfs/dbraw/zinc/69/52/39/553695239.db2.gz SFBFNFYGARREPF-MRXNPFEDSA-N 1 0 366.387 2.496 20 30 FEEDRO COc1cc[nH+]c(N2CCN(C(=O)Nc3cc(C)c(C#N)cn3)CC2)c1 ZINC000603115111 553711485 /nfs/dbraw/zinc/71/14/85/553711485.db2.gz AQWDCKWVVRROHQ-UHFFFAOYSA-N 1 0 352.398 2.019 20 30 FEEDRO CC[NH+]1CCC(N2CCCN(C(=O)Nc3cc(C)c(C#N)cn3)CC2)CC1 ZINC000603129886 553713448 /nfs/dbraw/zinc/71/34/48/553713448.db2.gz ALUHJRHQFKLYMW-UHFFFAOYSA-N 1 0 370.501 2.286 20 30 FEEDRO Cc1cc(CNC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)nc(C)n1 ZINC000505423508 561670804 /nfs/dbraw/zinc/67/08/04/561670804.db2.gz USVWOAZGHCMMHW-UHFFFAOYSA-N 1 0 366.469 2.239 20 30 FEEDRO N#Cc1cncc(S(=O)(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000312038695 553755971 /nfs/dbraw/zinc/75/59/71/553755971.db2.gz UWAWPQPCLAVXPA-KRWDZBQOSA-N 1 0 370.478 2.144 20 30 FEEDRO CC1(C)CN(C(=O)NCC2([NH+]3CCCC3)CCOCC2)CC(C)(C)O1 ZINC000328610205 553795640 /nfs/dbraw/zinc/79/56/40/553795640.db2.gz NLYIBHNJVLIJBM-UHFFFAOYSA-N 1 0 353.507 2.435 20 30 FEEDRO O=C(CN1CCC[C@@H](C[NH+]2CCOCC2)C1)Nc1ccc2c(c1)OCO2 ZINC000328648574 553802046 /nfs/dbraw/zinc/80/20/46/553802046.db2.gz IFURVAZRPYLRHC-HNNXBMFYSA-N 1 0 361.442 2.048 20 30 FEEDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCC[C@@H](Cn2ccnn2)C1 ZINC000328653568 553802517 /nfs/dbraw/zinc/80/25/17/553802517.db2.gz CFZBXIJQMCNSKX-QZTJIDSGSA-N 1 0 362.522 2.415 20 30 FEEDRO Cc1noc(C)c1C[C@@H](C)NC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000328689885 553807922 /nfs/dbraw/zinc/80/79/22/553807922.db2.gz DDCYDQIRKZMXPB-PBHICJAKSA-N 1 0 364.490 2.181 20 30 FEEDRO C[C@H](C(=O)NC(=O)Nc1ccc2c(c1)OCCO2)[N@@H+]1CCOC[C@H](C)C1 ZINC000328703026 553809819 /nfs/dbraw/zinc/80/98/19/553809819.db2.gz XPQQMXJBNCZPPW-CHWSQXEVSA-N 1 0 363.414 2.317 20 30 FEEDRO CC(C)[NH+]1CCC(O)(CNC(=O)N[C@H]2CCCC23CCOCC3)CC1 ZINC000328710357 553810860 /nfs/dbraw/zinc/81/08/60/553810860.db2.gz MTLDRTKQMARDAK-INIZCTEOSA-N 1 0 353.507 2.075 20 30 FEEDRO CNC(=O)NC1CN(C(=O)NCc2ccc(C[NH+]3CCC(C)CC3)cc2)C1 ZINC000328723868 553812580 /nfs/dbraw/zinc/81/25/80/553812580.db2.gz YGTMHRGTFXYBOY-UHFFFAOYSA-N 1 0 373.501 2.150 20 30 FEEDRO CC(=O)N1CC[C@@H](CN(C)C(=O)NC2CC[NH+](C3CCCC3)CC2)C1 ZINC000328725798 553813209 /nfs/dbraw/zinc/81/32/09/553813209.db2.gz BOOMQGDLSRXBCE-INIZCTEOSA-N 1 0 350.507 2.108 20 30 FEEDRO C[C@@H]1CN(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)CC(=O)N1C ZINC000328730634 553813370 /nfs/dbraw/zinc/81/33/70/553813370.db2.gz WQQCKVQDYZWDAE-MRXNPFEDSA-N 1 0 358.486 2.249 20 30 FEEDRO C[C@@H]1CN(C(=O)N[C@H]2CCCC23CCOCC3)CC[N@@H+]1CC(C)(C)O ZINC000328735976 553814382 /nfs/dbraw/zinc/81/43/82/553814382.db2.gz ZHQREDQMFMZUQA-CVEARBPZSA-N 1 0 353.507 2.027 20 30 FEEDRO CC(C)c1nnc(CNC(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)s1 ZINC000328756227 553817692 /nfs/dbraw/zinc/81/76/92/553817692.db2.gz UBYPZTXMWWJSJG-CQSZACIVSA-N 1 0 367.519 2.120 20 30 FEEDRO CC[C@@H]1CN(C(=O)[C@H](Cc2c[nH]cn2)NC(=O)C2CCCCC2)CCO1 ZINC000328796983 553823515 /nfs/dbraw/zinc/82/35/15/553823515.db2.gz VJPSYUVNXNMQPL-SJORKVTESA-N 1 0 362.474 2.495 20 30 FEEDRO O=C(NCC1([NH+]2CCSCC2)CCCC1)N[C@@H]1CCO[C@@H]1C1CC1 ZINC000328810731 553825667 /nfs/dbraw/zinc/82/56/67/553825667.db2.gz DZBBTDBGGKXTSY-HZPDHXFCSA-N 1 0 353.532 2.419 20 30 FEEDRO Cn1cncc1CCC(=O)NC1CCC(C(=O)N2CCSCC2)CC1 ZINC000328818864 553827275 /nfs/dbraw/zinc/82/72/75/553827275.db2.gz HFGXTZGVRFMDEZ-UHFFFAOYSA-N 1 0 364.515 2.443 20 30 FEEDRO Cn1nccc1[C@H]1[C@@H](C(=O)NC2CC[NH+](C3CCCC3)CC2)CC(=O)N1C ZINC000328915460 553844368 /nfs/dbraw/zinc/84/43/68/553844368.db2.gz QTUSFOHASMZFMQ-QFBILLFUSA-N 1 0 373.501 2.303 20 30 FEEDRO C[C@H](C(=O)Nc1nccs1)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000328976001 553856752 /nfs/dbraw/zinc/85/67/52/553856752.db2.gz WHNGOZDELLMCGY-RBSFLKMASA-N 1 0 351.520 2.077 20 30 FEEDRO C[C@]1(O)CCOC[C@H]1[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccc2c(c1)OCO2 ZINC000328978060 553857262 /nfs/dbraw/zinc/85/72/62/553857262.db2.gz QQWJUZWWWLLRKD-DOXZYTNZSA-N 1 0 362.426 2.255 20 30 FEEDRO CC(C)Oc1cccc(CNC(=O)CN2CCO[C@@H]3CC[N@H+](C)C[C@H]32)c1 ZINC000329009921 553864097 /nfs/dbraw/zinc/86/40/97/553864097.db2.gz HSTXLEYGEKSWQA-RTBURBONSA-N 1 0 361.486 2.335 20 30 FEEDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H]1COc2cc(OC)ccc2C1 ZINC000329015126 553865100 /nfs/dbraw/zinc/86/51/00/553865100.db2.gz PZSAIURKDUPOEC-BBWFWOEESA-N 1 0 359.470 2.471 20 30 FEEDRO C[C@@H](CNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)[NH+]1CCC(C)CC1 ZINC000506108599 561690545 /nfs/dbraw/zinc/69/05/45/561690545.db2.gz JUYPKIVNIHLHOG-HNAYVOBHSA-N 1 0 351.491 2.485 20 30 FEEDRO Cc1ccc(NC(=O)N2CCCC23CC[NH+](C)CC3)cc1-n1cnnn1 ZINC000329073770 553875336 /nfs/dbraw/zinc/87/53/36/553875336.db2.gz OYBOZXYZXGRVPA-UHFFFAOYSA-N 1 0 355.446 2.076 20 30 FEEDRO C[NH+]1CCC2(CCCN2C(=O)N[C@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000329093670 553878859 /nfs/dbraw/zinc/87/88/59/553878859.db2.gz XMEQAMJKJDDHRM-KRWDZBQOSA-N 1 0 356.470 2.266 20 30 FEEDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@H]2CCO[C@@H]2c2nccn2C)C1 ZINC000329150923 553889411 /nfs/dbraw/zinc/88/94/11/553889411.db2.gz ZUNYJLVVBZADOC-PMPSAXMXSA-N 1 0 363.506 2.264 20 30 FEEDRO CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)N[C@@H]2CCCC23CCOCC3)C1 ZINC000329171201 553894502 /nfs/dbraw/zinc/89/45/02/553894502.db2.gz JYFSUKAVWYZJAO-OKZBNKHCSA-N 1 0 365.518 2.435 20 30 FEEDRO CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(CC(=O)NC(=O)NC2CCCCC2)C1 ZINC000329177474 553896158 /nfs/dbraw/zinc/89/61/58/553896158.db2.gz LYYDXKUQCCXDCE-IRXDYDNUSA-N 1 0 366.506 2.375 20 30 FEEDRO CC(C)N1C(=O)C[C@H](NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)C1=O ZINC000329205662 553902149 /nfs/dbraw/zinc/90/21/49/553902149.db2.gz XWUJVLJFJFXQMZ-OIISXLGYSA-N 1 0 357.454 2.247 20 30 FEEDRO C[C@@H]1C[N@H+](C)CCN1CC(=O)NCc1ccc(C(=O)N2CCCC2)cc1 ZINC000329221509 553905380 /nfs/dbraw/zinc/90/53/80/553905380.db2.gz UXOMIJLUBCCHTH-MRXNPFEDSA-N 1 0 358.486 2.015 20 30 FEEDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCOC[C@@H]1[C@@H]1CCCO1 ZINC000329236821 553908060 /nfs/dbraw/zinc/90/80/60/553908060.db2.gz OODUEXQESSQVQJ-RZFLPCETSA-N 1 0 353.507 2.147 20 30 FEEDRO C[NH+](C)C1(CNC(=O)N2CCC[C@@H]2[C@@H]2COCC[C@H]2O)CCCCCC1 ZINC000329242873 553909174 /nfs/dbraw/zinc/90/91/74/553909174.db2.gz SNIQEXKCYUNERI-RCCFBDPRSA-N 1 0 367.534 2.417 20 30 FEEDRO CC(C)N1CCN(C(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)CC1=O ZINC000329267063 553914353 /nfs/dbraw/zinc/91/43/53/553914353.db2.gz DBIYCYBQGLSKHW-UHFFFAOYSA-N 1 0 364.534 2.496 20 30 FEEDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NCC(=O)N(C)C1CCCCC1 ZINC000329296758 553919568 /nfs/dbraw/zinc/91/95/68/553919568.db2.gz SYBKPTRUVQPAPK-NVXWUHKLSA-N 1 0 350.507 2.250 20 30 FEEDRO C[NH+](C)Cc1ccc(CNC(=O)N2CCOC[C@@H]2[C@H]2CCCO2)cc1F ZINC000329299171 553920391 /nfs/dbraw/zinc/92/03/91/553920391.db2.gz USKHUHOKPKRKLN-QZTJIDSGSA-N 1 0 365.449 2.181 20 30 FEEDRO Cc1noc([C@@H]2CCCCN2C(=O)NC[C@]2([NH+](C)C)CCSC2)n1 ZINC000329303816 553921808 /nfs/dbraw/zinc/92/18/08/553921808.db2.gz XQRGXVNSKRWTMS-XJKSGUPXSA-N 1 0 353.492 2.256 20 30 FEEDRO O=C(NCC1([NH+]2CCSCC2)CCCC1)N1CCc2cncnc2C1 ZINC000329304187 553922023 /nfs/dbraw/zinc/92/20/23/553922023.db2.gz XTMUXGBRJURHOF-UHFFFAOYSA-N 1 0 361.515 2.110 20 30 FEEDRO CCO[C@@H]1C[C@](O)(CNC(=O)[C@H]2COCCN2C2CCCC2)C1(C)C ZINC000329312149 553923382 /nfs/dbraw/zinc/92/33/82/553923382.db2.gz GJOCSWDTUXLTII-MDZRGWNJSA-N 1 0 354.491 2.152 20 30 FEEDRO COc1cc(NC(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)ncn1 ZINC000329325834 553925720 /nfs/dbraw/zinc/92/57/20/553925720.db2.gz JAJXIWWZWVZAOF-UHFFFAOYSA-N 1 0 363.462 2.094 20 30 FEEDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC(O)(C(F)(F)F)CC1 ZINC000329353433 553930695 /nfs/dbraw/zinc/93/06/95/553930695.db2.gz FCIZZLXMJVNLGM-CYBMUJFWSA-N 1 0 351.413 2.410 20 30 FEEDRO CC[C@@H]1CN(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CCCO1 ZINC000329354925 553930751 /nfs/dbraw/zinc/93/07/51/553930751.db2.gz YRCWGKBIVHQLNM-KZNAEPCWSA-N 1 0 353.507 2.169 20 30 FEEDRO C=CCc1ccccc1OC[C@@H](O)C[NH+]1CCC2(C[C@@H]2C(=O)OC)CC1 ZINC000506558912 561701979 /nfs/dbraw/zinc/70/19/79/561701979.db2.gz BCKGLFKQZZRGIZ-ZWKOTPCHSA-N 1 0 359.466 2.430 20 30 FEEDRO CC[NH+]1CCC(NC(=O)CN2CCN(c3ncc(C)s3)CC2)CC1 ZINC000329364428 553933414 /nfs/dbraw/zinc/93/34/14/553933414.db2.gz ABCDXMQLTXAQPQ-UHFFFAOYSA-N 1 0 351.520 2.014 20 30 FEEDRO CCCC(=O)N1CCC[C@@H]1C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000329371284 553933635 /nfs/dbraw/zinc/93/36/35/553933635.db2.gz AWVBRTGRXOEELJ-NVXWUHKLSA-N 1 0 351.491 2.235 20 30 FEEDRO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1CC(=O)NCc1cnn(-c2ccccc2)c1 ZINC000329373295 553934144 /nfs/dbraw/zinc/93/41/44/553934144.db2.gz JVHSJEHFJVYONE-APWZRJJASA-N 1 0 353.470 2.497 20 30 FEEDRO Cc1ccncc1N1CCN(C(=O)NC2CCN(C(=O)C(C)C)CC2)CC1 ZINC000329382445 553935239 /nfs/dbraw/zinc/93/52/39/553935239.db2.gz QSXCAECBHDRWRX-UHFFFAOYSA-N 1 0 373.501 2.073 20 30 FEEDRO O=C(NCC1([NH+]2CCCC2)CCOCC1)N1CCCC[C@H]1c1cc[nH]n1 ZINC000329422643 553943861 /nfs/dbraw/zinc/94/38/61/553943861.db2.gz HNHHJKIATGIJNC-KRWDZBQOSA-N 1 0 361.490 2.496 20 30 FEEDRO O=C(Nc1cccc2c1CNC2=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000329443533 553947664 /nfs/dbraw/zinc/94/76/64/553947664.db2.gz NKAIGPXLWMZIFF-UHFFFAOYSA-N 1 0 358.442 2.095 20 30 FEEDRO Cc1noc([C@@H]2CC[C@H](CNC(=O)N3C[C@H]([NH+]4CCCC4)C[C@@H]3C)O2)n1 ZINC000329474340 553953343 /nfs/dbraw/zinc/95/33/43/553953343.db2.gz NNHBTUAXHNHMHR-XZDPQHSOSA-N 1 0 363.462 2.071 20 30 FEEDRO CN(C(=O)NCC1([NH+]2CCCCC2)CCCCC1)[C@H]1CCN(C)C1=O ZINC000329476566 553953600 /nfs/dbraw/zinc/95/36/00/553953600.db2.gz PLSLXQIWTZTHCS-INIZCTEOSA-N 1 0 350.507 2.252 20 30 FEEDRO C[N@@H+]1CCN(CCNC(=O)N[C@@H]2CCC(=O)N[C@H]2C(C)(C)C)CC1(C)C ZINC000329481131 553954928 /nfs/dbraw/zinc/95/49/28/553954928.db2.gz PLCMHRRAGWJSCV-GDBMZVCRSA-N 1 0 367.538 2.050 20 30 FEEDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCC[C@@H]1[C@@H]1COCC[C@H]1O ZINC000329512870 553959985 /nfs/dbraw/zinc/95/99/85/553959985.db2.gz XVTNJQOFXALCPB-XNIJUTNWSA-N 1 0 367.534 2.129 20 30 FEEDRO N#CCCN(C(=O)CCC(=O)NCC[N@H+]1CC=CCC1)c1ccccc1 ZINC000506765113 561708068 /nfs/dbraw/zinc/70/80/68/561708068.db2.gz DKWJGCDAJJOCKU-UHFFFAOYSA-N 1 0 354.454 2.092 20 30 FEEDRO CN(C(=O)NC[C@]1(C)CCOC1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000329533639 553963507 /nfs/dbraw/zinc/96/35/07/553963507.db2.gz KLERJQIHTVRWOU-FQEVSTJZSA-N 1 0 360.502 2.361 20 30 FEEDRO Cc1ncc2n1CC[C@H](C(=O)NC1CC[NH+]([C@@H]3CCCC[C@@H]3O)CC1)C2 ZINC000329547535 553965596 /nfs/dbraw/zinc/96/55/96/553965596.db2.gz DSQJKFIWMKRLBO-IPELMVKDSA-N 1 0 360.502 2.478 20 30 FEEDRO CCO[C@@H]1C[C@H](NC(=O)N2CCCC23CC[NH+](C)CC3)[C@]12CCCO2 ZINC000329571403 553969593 /nfs/dbraw/zinc/96/95/93/553969593.db2.gz MQKKOALEQZNDEX-FRQCXROJSA-N 1 0 351.491 2.187 20 30 FEEDRO CC(C)C[C@@H]1C[C@@H](NC(=O)N2CCC[C@H]2CN2CCOCC2)CCO1 ZINC000329679746 553987568 /nfs/dbraw/zinc/98/75/68/553987568.db2.gz WCGSNWDRRBBFSB-OKZBNKHCSA-N 1 0 353.507 2.291 20 30 FEEDRO CS[C@@H]1CN(C(=O)c2cc(C)n(-c3cccc(C#N)c3)n2)C[C@@H]1[NH+](C)C ZINC000507087642 561716994 /nfs/dbraw/zinc/71/69/94/561716994.db2.gz PPLCSKPBGPQKCG-ZWKOTPCHSA-N 1 0 369.494 2.170 20 30 FEEDRO O=C(CN1CCC[C@@H](C(=O)N2CCCC2)C1)Nc1ccc2c(c1)OCO2 ZINC000329733919 553997204 /nfs/dbraw/zinc/99/72/04/553997204.db2.gz RBJIFIXQSVCKMX-CQSZACIVSA-N 1 0 359.426 2.338 20 30 FEEDRO C[C@H](O)C[C@@H]1COCCN1C(=O)N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000329835371 554015151 /nfs/dbraw/zinc/01/51/51/554015151.db2.gz HJEWQOZJKWZJAD-RNIPGJKVSA-N 1 0 361.486 2.208 20 30 FEEDRO C=CCOCC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000507232464 561722026 /nfs/dbraw/zinc/72/20/26/561722026.db2.gz GVSBHDLMTFEMBY-LJQANCHMSA-N 1 0 358.482 2.234 20 30 FEEDRO CCN1C(=O)CC[C@H](C(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)[C@H]1c1cnn(C)c1 ZINC000329885219 554024784 /nfs/dbraw/zinc/02/47/84/554024784.db2.gz UHBUWNJHKAAYMT-OIWLHUINSA-N 1 0 373.501 2.301 20 30 FEEDRO CC(C)(O)C[NH+]1CCN(C(=O)NCCc2cccc3cccnc32)CC1 ZINC000329916309 554031129 /nfs/dbraw/zinc/03/11/29/554031129.db2.gz YUJINPTXZSJQCJ-UHFFFAOYSA-N 1 0 356.470 2.080 20 30 FEEDRO [O-]C(=[NH+][C@H]1CCn2ccnc2C1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000329958400 554039274 /nfs/dbraw/zinc/03/92/74/554039274.db2.gz QPFRIQKLENJAPX-OTWHNJEPSA-N 1 0 365.481 2.176 20 30 FEEDRO Cc1oncc1CN1C[C@@H](F)C[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000329958374 554039365 /nfs/dbraw/zinc/03/93/65/554039365.db2.gz QOIVHOLKYRJIRF-XIRDDKMYSA-N 1 0 350.438 2.479 20 30 FEEDRO CC[C@H](CNS(=O)(=O)c1ccc(C#N)nc1)N1CCc2ccccc2C1 ZINC000507426234 561729069 /nfs/dbraw/zinc/72/90/69/561729069.db2.gz DHMLELPGERYNKO-GOSISDBHSA-N 1 0 370.478 2.068 20 30 FEEDRO CCN1CCN(C(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)C[C@H]1c1ncc[nH]1 ZINC000329999610 554046779 /nfs/dbraw/zinc/04/67/79/554046779.db2.gz VAJYDPQYILYLCY-SJORKVTESA-N 1 0 362.522 2.123 20 30 FEEDRO O=C(Cn1cc(NC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)cn1)NC1CCCC1 ZINC000330033251 554052622 /nfs/dbraw/zinc/05/26/22/554052622.db2.gz VJQLXEPLMVHPSR-KRWDZBQOSA-N 1 0 374.489 2.498 20 30 FEEDRO CCC[NH+]1CCC(NC(=O)N[C@@H]2CCN(Cc3ccc(C)cc3)C2=O)CC1 ZINC000330067915 554058527 /nfs/dbraw/zinc/05/85/27/554058527.db2.gz UXNVWUCVKZELJW-LJQANCHMSA-N 1 0 372.513 2.474 20 30 FEEDRO C[NH+](C)[C@]1(CNC(=O)[C@@H]2CSCN2C(=O)C2CCCC2)CCSC1 ZINC000330071161 554059222 /nfs/dbraw/zinc/05/92/22/554059222.db2.gz IRVBETVEHKGXHY-YOEHRIQHSA-N 1 0 371.572 2.472 20 30 FEEDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1cn([C@H]2CCOC2)nn1 ZINC000330074153 554060284 /nfs/dbraw/zinc/06/02/84/554060284.db2.gz CRVBLWYFESLLBF-PVAVHDDUSA-N 1 0 355.442 2.065 20 30 FEEDRO CC(C)[C@H]1OCC[C@H]1CNC(=O)NCC(C)(C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000330209129 554085633 /nfs/dbraw/zinc/08/56/33/554085633.db2.gz HGXGAINKQFSAEM-VVLHAWIVSA-N 1 0 355.523 2.439 20 30 FEEDRO CCO[C@@H]1C[C@H](NC(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)C12CCC2 ZINC000330212257 554086344 /nfs/dbraw/zinc/08/63/44/554086344.db2.gz DNPHWAPCQTUHFS-ZJPYXAASSA-N 1 0 365.518 2.216 20 30 FEEDRO CC(C)N1C[C@H](NC(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)CC1=O ZINC000330224875 554088649 /nfs/dbraw/zinc/08/86/49/554088649.db2.gz AVSGEBLGWCXHLY-QZTJIDSGSA-N 1 0 364.534 2.498 20 30 FEEDRO CC(C)[C@@H]1C[C@@H](NC(=O)N2CC[N@@H+](C3CCOCC3)C[C@H]2C)CCO1 ZINC000330228386 554089220 /nfs/dbraw/zinc/08/92/20/554089220.db2.gz PQBAPOUSGJWXQS-RYRKJORJSA-N 1 0 353.507 2.289 20 30 FEEDRO O=C(Nc1cccc(N2CCS(=O)(=O)CC2)c1)[C@H]1CCC[N@@H+]1C1CC1 ZINC000330242066 554091648 /nfs/dbraw/zinc/09/16/48/554091648.db2.gz FZKNQYFRFUZWGZ-QGZVFWFLSA-N 1 0 363.483 2.136 20 30 FEEDRO C[NH+](C)C[C@@H]1CCCN1S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000330372372 554112617 /nfs/dbraw/zinc/11/26/17/554112617.db2.gz KEULRMHFKNHLEB-LBPRGKRZSA-N 1 0 361.389 2.292 20 30 FEEDRO C[C@H](CC#N)N(C)S(=O)(=O)NC[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000330410924 554118253 /nfs/dbraw/zinc/11/82/53/554118253.db2.gz JXIVLEKXBQZSTR-WBVHZDCISA-N 1 0 356.536 2.099 20 30 FEEDRO C[C@@H](CC#N)N(C)S(=O)(=O)NC[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000330410921 554118284 /nfs/dbraw/zinc/11/82/84/554118284.db2.gz JXIVLEKXBQZSTR-DOTOQJQBSA-N 1 0 356.536 2.099 20 30 FEEDRO CO[C@H](C)c1nc(C)c(C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)s1 ZINC000330419079 554119302 /nfs/dbraw/zinc/11/93/02/554119302.db2.gz PEUSWWGSVFNBKA-CYBMUJFWSA-N 1 0 354.520 2.490 20 30 FEEDRO CC(C)CC(=O)N1CCC(NC(=O)N[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC000330452462 554123400 /nfs/dbraw/zinc/12/34/00/554123400.db2.gz AVXIFENKNKJVDR-INIZCTEOSA-N 1 0 352.523 2.402 20 30 FEEDRO CCN([C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)S(=O)(=O)N(C)CCC#N ZINC000330486404 554128007 /nfs/dbraw/zinc/12/80/07/554128007.db2.gz DWCYZPOLLTUUDI-SJLPKXTDSA-N 1 0 364.515 2.234 20 30 FEEDRO CCC(=O)Nc1ccc(C)c(NC(=O)N2CC[N@H+](C[C@@H](C)O)C[C@H]2C)c1 ZINC000330518143 554132686 /nfs/dbraw/zinc/13/26/86/554132686.db2.gz GRZOLHMIJTWUPF-HUUCEWRRSA-N 1 0 362.474 2.276 20 30 FEEDRO C[C@H](c1ccc(C#N)cc1)[N@@H+]1C[C@H](COCC(=O)N(C)C)OC(C)(C)C1 ZINC000330541248 554135418 /nfs/dbraw/zinc/13/54/18/554135418.db2.gz SKCGLNYPJSJBGL-CRAIPNDOSA-N 1 0 359.470 2.203 20 30 FEEDRO COc1cc(NC(=O)N2CC[NH+](CC(C)(C)O)CC2)c(OC)cc1Cl ZINC000330620613 554146528 /nfs/dbraw/zinc/14/65/28/554146528.db2.gz AGFMJVCNEJPFCT-UHFFFAOYSA-N 1 0 371.865 2.291 20 30 FEEDRO C[NH+](C)[C@@H]1CCN(C(=O)Nc2ccc(S(C)(=O)=O)c(C(F)F)c2)C1 ZINC000330683478 554156961 /nfs/dbraw/zinc/15/69/61/554156961.db2.gz ITLDOYFISHIFCM-LLVKDONJSA-N 1 0 361.414 2.209 20 30 FEEDRO COC(=O)c1cc(NC(=O)N2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)cc(C)c1C ZINC000330714422 554161838 /nfs/dbraw/zinc/16/18/38/554161838.db2.gz XJRFMFSVDPDRFO-UONOGXRCSA-N 1 0 363.458 2.022 20 30 FEEDRO CC(C)NC(=O)[C@@H]1CCC[C@@H](NC(=O)N[C@H](C)C[NH+]2CCCCC2)C1 ZINC000330825269 554176300 /nfs/dbraw/zinc/17/63/00/554176300.db2.gz RYFLGLOZHQNPKQ-BRWVUGGUSA-N 1 0 352.523 2.448 20 30 FEEDRO CO[C@H](CNC(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000330844533 554178350 /nfs/dbraw/zinc/17/83/50/554178350.db2.gz LANGLXQCUNRLJP-GRDNDAEWSA-N 1 0 369.893 2.328 20 30 FEEDRO CCN(CC)C(=O)[C@@H]1CCCN1C(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000330933915 554191414 /nfs/dbraw/zinc/19/14/14/554191414.db2.gz 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CC(C)N(C)c1ccccc1CNC(=O)N1CC[N@@H+](C[C@H](C)O)[C@H](C)C1 ZINC000331336769 554248245 /nfs/dbraw/zinc/24/82/45/554248245.db2.gz YVMMOBSHJZPULM-SJORKVTESA-N 1 0 362.518 2.332 20 30 FEEDRO C=CCn1c([C@H]2COCCO2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC000508864751 561775790 /nfs/dbraw/zinc/77/57/90/561775790.db2.gz QIBDVWBYUPYPIG-MRXNPFEDSA-N 1 0 363.506 2.110 20 30 FEEDRO CC[N@@H+]1CCC[C@@H](CN(C)C(=O)c2ccc(C#N)[nH]2)[C@@H]1c1cnn(C)c1 ZINC000331468922 554269744 /nfs/dbraw/zinc/26/97/44/554269744.db2.gz OJVHKSYEHKNYAL-KBXCAEBGSA-N 1 0 354.458 2.165 20 30 FEEDRO COC(=O)[C@]1(C)C[N@@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@H]1C ZINC000331477177 554271762 /nfs/dbraw/zinc/27/17/62/554271762.db2.gz PQDRVLBOYLEOGR-WIBUTAKZSA-N 1 0 355.438 2.185 20 30 FEEDRO Cc1cc(C(=O)N2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)ncc1C#N ZINC000332100295 554380510 /nfs/dbraw/zinc/38/05/10/554380510.db2.gz DWSWPABYGYBWAH-HOTGVXAUSA-N 1 0 356.470 2.223 20 30 FEEDRO N#CCCCC(=O)N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000332345373 554429396 /nfs/dbraw/zinc/42/93/96/554429396.db2.gz FXKVKGKPHXZRMG-GOSISDBHSA-N 1 0 355.486 2.136 20 30 FEEDRO C[C@@H]1CN([C@@H](C(N)=O)c2ccc(C#N)cc2)CCN1C1CC[NH+](C)CC1 ZINC000332402306 554439870 /nfs/dbraw/zinc/43/98/70/554439870.db2.gz WBLQSKJPHKCEPK-DNVCBOLYSA-N 1 0 355.486 2.235 20 30 FEEDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000510483528 561835914 /nfs/dbraw/zinc/83/59/14/561835914.db2.gz AWHVXMCJQWQMCB-GXTWGEPZSA-N 1 0 353.875 2.459 20 30 FEEDRO C[C@@H]1CCN(C(=O)Nc2nn(C)cc2C#N)CC[N@@H+]1Cc1ccccc1 ZINC000610561657 554528763 /nfs/dbraw/zinc/52/87/63/554528763.db2.gz AQMUHURDVVHUBF-OAHLLOKOSA-N 1 0 352.442 2.420 20 30 FEEDRO CC[C@@H](CNC(=O)N=c1[nH]n(C)cc1C#N)[N@@H+]1CCc2ccccc2C1 ZINC000610564646 554530000 /nfs/dbraw/zinc/53/00/00/554530000.db2.gz SRQWFIZJUDIYKG-KRWDZBQOSA-N 1 0 352.442 2.250 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000333056404 554565580 /nfs/dbraw/zinc/56/55/80/554565580.db2.gz CMTZQBABXFQSRQ-DKKFBQAASA-N 1 0 365.518 2.251 20 30 FEEDRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000333895979 554653358 /nfs/dbraw/zinc/65/33/58/554653358.db2.gz ZBAZIHPDAQQQOH-CXAGYDPISA-N 1 0 360.433 2.248 20 30 FEEDRO N#Cc1cccc(OC2CCN(C(=O)N[C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)CC2)c1 ZINC000333924875 554656717 /nfs/dbraw/zinc/65/67/17/554656717.db2.gz TZXIFDCIEKYDIW-OKZBNKHCSA-N 1 0 368.481 2.499 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1NC(=O)N1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000334078394 554675597 /nfs/dbraw/zinc/67/55/97/554675597.db2.gz KOQGAPPHDBQADK-JFRXWTBNSA-N 1 0 365.518 2.251 20 30 FEEDRO C=CCOC[C@H]1NC(=O)N(C[C@H](C2CC2)[N@H+](C)Cc2ccccc2)C1=O ZINC000348608151 554691590 /nfs/dbraw/zinc/69/15/90/554691590.db2.gz ZWEUMDPFOUUBEM-QZTJIDSGSA-N 1 0 357.454 2.020 20 30 FEEDRO CN(CC[NH+]1CCCC1)C(=O)C1CCN(c2ccc(C#N)cc2F)CC1 ZINC000511168444 561859858 /nfs/dbraw/zinc/85/98/58/561859858.db2.gz HMTVDWDXXZFDCT-UHFFFAOYSA-N 1 0 358.461 2.468 20 30 FEEDRO N#Cc1cc(NC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)ccc1Cl ZINC000361943346 554939613 /nfs/dbraw/zinc/93/96/13/554939613.db2.gz LKDDPDMPXKPKEJ-OAHLLOKOSA-N 1 0 360.845 2.237 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@@H](N3CCCCC3=O)C2)CC1 ZINC000362743131 554985950 /nfs/dbraw/zinc/98/59/50/554985950.db2.gz ZOLBJMQKKCDHJL-GOSISDBHSA-N 1 0 362.518 2.213 20 30 FEEDRO C=CCOc1cccc(NC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)c1 ZINC000362916929 554998972 /nfs/dbraw/zinc/99/89/72/554998972.db2.gz DOKAXJLBXOTHHP-KRWDZBQOSA-N 1 0 357.454 2.277 20 30 FEEDRO C=CCc1cc(C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc(OC)c1OC ZINC000363102124 555030602 /nfs/dbraw/zinc/03/06/02/555030602.db2.gz ZGSCCNSPZBEKGY-SJORKVTESA-N 1 0 360.454 2.025 20 30 FEEDRO Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N(C)[C@@H]3CC[N@@H+](C)C[C@@H]3C)C2)n1 ZINC000363114223 555033744 /nfs/dbraw/zinc/03/37/44/555033744.db2.gz PFBMREZESMNUGS-ZYSHUDEJSA-N 1 0 369.513 2.277 20 30 FEEDRO N#Cc1ccccc1N1CCC[C@H](NC(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000363187258 555048898 /nfs/dbraw/zinc/04/88/98/555048898.db2.gz JKYRNLGCDCGTKM-GBESFXJTSA-N 1 0 367.497 2.453 20 30 FEEDRO C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCC(C(=O)N(C)c2ccccc2)CC1 ZINC000363208072 555054051 /nfs/dbraw/zinc/05/40/51/555054051.db2.gz AGZSUMCYQDXMBT-INIZCTEOSA-N 1 0 356.470 2.122 20 30 FEEDRO C=CCNC(=O)c1ccc(N[C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@H]2C)nc1 ZINC000363584799 555141803 /nfs/dbraw/zinc/14/18/03/555141803.db2.gz CMMVXQHXPMUREO-KBAYOESNSA-N 1 0 358.486 2.299 20 30 FEEDRO C=CCN(C[C@@H](O)COC1CCOCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000363629735 555150287 /nfs/dbraw/zinc/15/02/87/555150287.db2.gz FIKCLUSUWCPZEL-NHCUHLMSSA-N 1 0 374.525 2.305 20 30 FEEDRO C=CCN(C[C@H](O)COC1CCOCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000363629736 555150669 /nfs/dbraw/zinc/15/06/69/555150669.db2.gz FIKCLUSUWCPZEL-RTWAWAEBSA-N 1 0 374.525 2.305 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC(OC[C@H]3CCOC3)CC2)CC1 ZINC000363650809 555155412 /nfs/dbraw/zinc/15/54/12/555155412.db2.gz IOXSEVZXGHGZFV-KRWDZBQOSA-N 1 0 365.518 2.254 20 30 FEEDRO CCCC[C@@H](ON=C(C)C)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000363871000 555203165 /nfs/dbraw/zinc/20/31/65/555203165.db2.gz YYOGLUWFZBVQIR-ZWKOTPCHSA-N 1 0 352.523 2.196 20 30 FEEDRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)c2cnccc2C#N)c1 ZINC000512317784 561900044 /nfs/dbraw/zinc/90/00/44/561900044.db2.gz GRPOVSBYSCYXTM-UHFFFAOYSA-N 1 0 365.437 2.277 20 30 FEEDRO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1NC(=O)c1ccccc1OCC#N ZINC000364567252 555340372 /nfs/dbraw/zinc/34/03/72/555340372.db2.gz ZDODKZJDXZUHIH-SOLBZPMBSA-N 1 0 357.454 2.208 20 30 FEEDRO C[C@H](C[NH+]1CCCCC1)NC(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 ZINC000512664803 561911705 /nfs/dbraw/zinc/91/17/05/561911705.db2.gz BMSYKVMHJCBANW-UYAOXDASSA-N 1 0 369.513 2.280 20 30 FEEDRO N#Cc1cc(F)cc(C2(C(=O)N3CCC[C@@H](C[NH+]4CCOCC4)C3)CC2)c1 ZINC000512693777 561912633 /nfs/dbraw/zinc/91/26/33/561912633.db2.gz PQHYTIHWPZKBTD-INIZCTEOSA-N 1 0 371.456 2.300 20 30 FEEDRO C#Cc1cccc(NC(=O)C(=O)N(C)C2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000364837790 555412222 /nfs/dbraw/zinc/41/22/22/555412222.db2.gz HSANKDCYQJKKLC-UHFFFAOYSA-N 1 0 362.433 2.129 20 30 FEEDRO CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@H]1CCC(=O)N1Cc1cccc(C#N)c1 ZINC000365147493 555495480 /nfs/dbraw/zinc/49/54/80/555495480.db2.gz BZDQLUOTVJBANW-RTBURBONSA-N 1 0 370.497 2.142 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N2C[C@@H](C3CCCCC3)C[C@@H]2C(=O)OC)CC1 ZINC000365738604 555655742 /nfs/dbraw/zinc/65/57/42/555655742.db2.gz CYZVVJCKFUVFPT-RBUKOAKNSA-N 1 0 360.498 2.302 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N2C[C@H](C3CCCCC3)C[C@H]2C(=O)OC)CC1 ZINC000365738602 555655746 /nfs/dbraw/zinc/65/57/46/555655746.db2.gz CYZVVJCKFUVFPT-MOPGFXCFSA-N 1 0 360.498 2.302 20 30 FEEDRO Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)NCCC3CC[NH+](C)CC3)C2)n1 ZINC000365763476 555662236 /nfs/dbraw/zinc/66/22/36/555662236.db2.gz CYSRGXGJGPJCJX-LJQANCHMSA-N 1 0 369.513 2.326 20 30 FEEDRO CCCC[NH+]1CCC(NC(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)CC1 ZINC000366187286 555775618 /nfs/dbraw/zinc/77/56/18/555775618.db2.gz RAIWOXDQJLRQRP-SFHVURJKSA-N 1 0 371.485 2.380 20 30 FEEDRO Cc1ccccc1[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCC(n2cnc(C#N)n2)CC1 ZINC000366370440 555824749 /nfs/dbraw/zinc/82/47/49/555824749.db2.gz BWRDDIZRJABQPP-HZPDHXFCSA-N 1 0 366.469 2.361 20 30 FEEDRO Cc1oc(C#N)cc1C(=O)N(C)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC000366672954 555905006 /nfs/dbraw/zinc/90/50/06/555905006.db2.gz LXKYESQBIDWDOU-KBXCAEBGSA-N 1 0 355.442 2.348 20 30 FEEDRO CCC[NH+]1CCC(N2CCN(C(=O)c3ccc(CC#N)cc3)CC2)CC1 ZINC000366996389 555992530 /nfs/dbraw/zinc/99/25/30/555992530.db2.gz YXENUNSLPGHKCJ-UHFFFAOYSA-N 1 0 354.498 2.385 20 30 FEEDRO CN(CC(=O)NC1(C#N)CCCCC1)C1CC[NH+](Cc2ccncc2)CC1 ZINC000367102889 556001045 /nfs/dbraw/zinc/00/10/45/556001045.db2.gz JTTNIJSTPYQSPG-UHFFFAOYSA-N 1 0 369.513 2.320 20 30 FEEDRO C=CCOCCCC(=O)N1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000367434557 556047997 /nfs/dbraw/zinc/04/79/97/556047997.db2.gz IQXDNIDAJUKQTC-NRFANRHFSA-N 1 0 371.525 2.388 20 30 FEEDRO N#CC1(NC(=O)CN2CC[C@@H](c3ccccc3)[C@@H](CO)C2)CCCCC1 ZINC000367531556 556075281 /nfs/dbraw/zinc/07/52/81/556075281.db2.gz QSAIDEJMYMGGEP-MOPGFXCFSA-N 1 0 355.482 2.427 20 30 FEEDRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@]2(C#N)CCc3ccccc3C2)C1 ZINC000367569721 556085826 /nfs/dbraw/zinc/08/58/26/556085826.db2.gz KHOVIGZFQAGSLS-PZJWPPBQSA-N 1 0 355.482 2.158 20 30 FEEDRO N#Cc1ccc(N2CC[C@H](C(=O)N3CCC[N@@H+](C4CC4)CC3)C2)c(F)c1 ZINC000367665717 556109123 /nfs/dbraw/zinc/10/91/23/556109123.db2.gz LPQCKGDTHYFMOW-INIZCTEOSA-N 1 0 356.445 2.220 20 30 FEEDRO Cc1cc(S(=O)(=O)N2C[C@H]([NH3+])[C@H](c3ccc(F)cc3)C2)ccc1C#N ZINC000367686065 556114386 /nfs/dbraw/zinc/11/43/86/556114386.db2.gz IMWNVFJPHYQQTD-ROUUACIJSA-N 1 0 359.426 2.121 20 30 FEEDRO C=CCn1c(C(=O)NC(CC)CC)nnc1N1C[C@@H](C)[N@H+](CC)C[C@@H]1C ZINC000514894125 561985401 /nfs/dbraw/zinc/98/54/01/561985401.db2.gz UWFYWJVLWRIOLT-CABCVRRESA-N 1 0 362.522 2.301 20 30 FEEDRO N#Cc1ccc(-n2ccc(NC(=O)N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)n2)c(F)c1 ZINC000367804530 556143329 /nfs/dbraw/zinc/14/33/29/556143329.db2.gz UTRYOCPZXWVSRE-LSDHHAIUSA-N 1 0 368.416 2.631 20 30 FEEDRO CCOC(=O)C(C)(C)CC(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000514962980 561989057 /nfs/dbraw/zinc/98/90/57/561989057.db2.gz YVAOBGUHCDIUIQ-UHFFFAOYSA-N 1 0 359.470 2.428 20 30 FEEDRO N#Cc1c(NC(=O)CC[N@H+]2CC[C@H](CC(N)=O)C2)sc2c1CCCCC2 ZINC000367982269 556187391 /nfs/dbraw/zinc/18/73/91/556187391.db2.gz ISOWZEATLURLLK-CYBMUJFWSA-N 1 0 374.510 2.415 20 30 FEEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(S(=O)(=O)CCO)cc1)CC2 ZINC000515018406 561992095 /nfs/dbraw/zinc/99/20/95/561992095.db2.gz DEFSEOROMVOFIP-IBGZPJMESA-N 1 0 356.447 2.101 20 30 FEEDRO N#C[C@@H](c1cccs1)N1CCN(C(=O)C[N@@H+]2C[C@H]3CCCC[C@H]32)CC1 ZINC000368080586 556213478 /nfs/dbraw/zinc/21/34/78/556213478.db2.gz FSQJZHVVNYYZCC-ZACQAIPSSA-N 1 0 358.511 2.331 20 30 FEEDRO C=CCN(Cc1ccccc1)C(=O)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000515080384 561995593 /nfs/dbraw/zinc/99/55/93/561995593.db2.gz FURSJNXLNLTODO-UHFFFAOYSA-N 1 0 357.498 2.438 20 30 FEEDRO C=CCN(C(=O)NCCc1nc(C)no1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000368437577 556309013 /nfs/dbraw/zinc/30/90/13/556309013.db2.gz VLUHTLGOJFTUBH-GOSISDBHSA-N 1 0 369.469 2.393 20 30 FEEDRO CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1CCC(=O)Nc1sccc1C#N ZINC000368664018 556378942 /nfs/dbraw/zinc/37/89/42/556378942.db2.gz SYGSGPSIMJEJCF-JKSUJKDBSA-N 1 0 360.483 2.424 20 30 FEEDRO N#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000369013356 556476414 /nfs/dbraw/zinc/47/64/14/556476414.db2.gz ZIFSIPDQKYRACC-MRXNPFEDSA-N 1 0 368.397 2.329 20 30 FEEDRO COc1ccc(CNC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc1OCCCC#N ZINC000369037129 556484303 /nfs/dbraw/zinc/48/43/03/556484303.db2.gz VEFFQLLLJRLZJY-ZWKOTPCHSA-N 1 0 359.470 2.331 20 30 FEEDRO C=CCN(C(=O)Cn1ccccc1=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000369080503 556499486 /nfs/dbraw/zinc/49/94/86/556499486.db2.gz FZOFEPWGZMIOPB-IBGZPJMESA-N 1 0 351.450 2.137 20 30 FEEDRO CCc1nc(CN2CCC[C@@H]([N@H+](C)CCOc3ccccc3C#N)C2)no1 ZINC000369237234 556544723 /nfs/dbraw/zinc/54/47/23/556544723.db2.gz PYGZNOLRBPZSRY-QGZVFWFLSA-N 1 0 369.469 2.479 20 30 FEEDRO COc1cc(C#N)ccc1OCC[N@@H+]1CCC[C@H](N2CCCCC2=O)C1 ZINC000369591163 556641080 /nfs/dbraw/zinc/64/10/80/556641080.db2.gz KCCOYXLFCRMMGO-KRWDZBQOSA-N 1 0 357.454 2.423 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)[C@@H]2CCN(c3ccc(Cl)cc3)C2=O)CC1 ZINC000369591825 556641227 /nfs/dbraw/zinc/64/12/27/556641227.db2.gz NAFKZYHAOFPORB-SFHVURJKSA-N 1 0 373.884 2.297 20 30 FEEDRO C[C@@H](C(=O)N1c2ccccc2C[C@@H]1C)[NH+]1CCC(n2cnc(C#N)n2)CC1 ZINC000369730862 556680075 /nfs/dbraw/zinc/68/00/75/556680075.db2.gz RUWFTBDVKVNEFM-GJZGRUSLSA-N 1 0 364.453 2.153 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3F)C2)CC1 ZINC000369756581 556686237 /nfs/dbraw/zinc/68/62/37/556686237.db2.gz GHNCAIWUUCQQQH-MRXNPFEDSA-N 1 0 371.456 2.091 20 30 FEEDRO C[C@@H]1CN(Cc2cn3ccccc3c2C#N)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000369767021 556689356 /nfs/dbraw/zinc/68/93/56/556689356.db2.gz PKJUHFNXMRDZKC-XLIONFOSSA-N 1 0 351.498 2.269 20 30 FEEDRO CCC[C@@H]1C[NH2+]CCN1C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000516431523 562042868 /nfs/dbraw/zinc/04/28/68/562042868.db2.gz WCAVPKXCZWGFRY-LXPRWKDFSA-N 1 0 371.485 2.427 20 30 FEEDRO CC(C)S(=O)(=O)N1CCC([NH2+][C@@H]2CCC[C@@H]3O[C@@H](CC#N)C[C@@H]32)CC1 ZINC000369853887 556713236 /nfs/dbraw/zinc/71/32/36/556713236.db2.gz SPNXPYIJDCPOJO-MLHJIOFPSA-N 1 0 369.531 2.018 20 30 FEEDRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)c3cccc(SCC#N)c3)CC2)C1 ZINC000370215803 556813265 /nfs/dbraw/zinc/81/32/65/556813265.db2.gz MPCZNVPLFVHXSM-KRWDZBQOSA-N 1 0 358.511 2.154 20 30 FEEDRO CN(C)C(=O)c1ccc(C[NH2+][C@H]2CCCN(c3ccccc3C#N)C2)[nH]1 ZINC000370255650 556822717 /nfs/dbraw/zinc/82/27/17/556822717.db2.gz HLCBIIFCRSHXKJ-KRWDZBQOSA-N 1 0 351.454 2.347 20 30 FEEDRO CC(C)N(CC[NH+]1CCCCCC1)C(=O)CNC(=O)c1ccc(C#N)cc1 ZINC000516673155 562053965 /nfs/dbraw/zinc/05/39/65/562053965.db2.gz NSAOELCNWPUXLA-UHFFFAOYSA-N 1 0 370.497 2.401 20 30 FEEDRO C=CCN1CC(=O)N([C@@H]2CC[N@H+](C3CC3)[C@H]2c2cccc(OC)c2)C1=O ZINC000370445432 556875253 /nfs/dbraw/zinc/87/52/53/556875253.db2.gz UUBCVVMZDZZPHI-MJGOQNOKSA-N 1 0 355.438 2.423 20 30 FEEDRO C=CCC[C@H](O)C[N@H+]1CCCN(Cc2nc([C@@H](C)OCC)no2)CC1 ZINC000370494441 556889781 /nfs/dbraw/zinc/88/97/81/556889781.db2.gz DRKXSFREHJHDTF-CVEARBPZSA-N 1 0 352.479 2.002 20 30 FEEDRO CCNC(=O)Nc1c[nH]nc1[C@H]1CCC[N@H+](Cc2cc(C#N)n(C)c2)C1 ZINC000370621074 556922615 /nfs/dbraw/zinc/92/26/15/556922615.db2.gz AVVPDCLDOHNPHZ-AWEZNQCLSA-N 1 0 355.446 2.141 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CCC[C@@]3(C(=O)OC(C)(C)C)C2)CC1 ZINC000370649463 556930862 /nfs/dbraw/zinc/93/08/62/556930862.db2.gz DTADQDCHGAFWPN-LAUBAEHRSA-N 1 0 360.498 2.302 20 30 FEEDRO CN(C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)c1nccc(C#N)c1[N+](=O)[O-] ZINC000370708547 556945624 /nfs/dbraw/zinc/94/56/24/556945624.db2.gz QDQZADVVMAKSAI-HOTGVXAUSA-N 1 0 352.398 2.386 20 30 FEEDRO Cn1cc([C@H]2[C@H](CNC(=O)c3cccc(CC#N)c3)CCC[N@@H+]2C)cn1 ZINC000370909707 557011494 /nfs/dbraw/zinc/01/14/94/557011494.db2.gz DMIJEJNSIACWMV-PKOBYXMFSA-N 1 0 351.454 2.299 20 30 FEEDRO COC[C@@H](C(N)=O)N(C)CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000517044093 562073172 /nfs/dbraw/zinc/07/31/72/562073172.db2.gz JDOASRCNXSOGDM-IBGZPJMESA-N 1 0 351.450 2.318 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N[C@H](C)Cc2nc(-c3ccccc3)no2)CC1 ZINC000371214413 557109516 /nfs/dbraw/zinc/10/95/16/557109516.db2.gz FDARLRZOBIAKSV-OAHLLOKOSA-N 1 0 352.438 2.129 20 30 FEEDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2CCC(=O)Nc1sccc1C#N ZINC000371299069 557136304 /nfs/dbraw/zinc/13/63/04/557136304.db2.gz CKGFFJXJLUFBBT-BZUAXINKSA-N 1 0 362.499 2.132 20 30 FEEDRO C[C@@H]1CN(C(=O)/C=C/c2cccc(C#N)c2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000371353504 557157568 /nfs/dbraw/zinc/15/75/68/557157568.db2.gz IZCDGGGBDVNLFJ-CNTTWCMLSA-N 1 0 352.482 2.056 20 30 FEEDRO COc1cc(C#N)ccc1C[NH+]1CCC(NC(=O)c2cccn2C)CC1 ZINC000371417604 557179407 /nfs/dbraw/zinc/17/94/07/557179407.db2.gz WMBXMJFTJKTURG-UHFFFAOYSA-N 1 0 352.438 2.300 20 30 FEEDRO CN(CCC#N)C(=O)CC[NH+]1CCC(n2cc(Br)cn2)CC1 ZINC000371444534 557189175 /nfs/dbraw/zinc/18/91/75/557189175.db2.gz YYXQZLYIMSPVAB-UHFFFAOYSA-N 1 0 368.279 2.045 20 30 FEEDRO C[NH+](C)CC1CCN(C(=O)C(=O)Nc2cccc(OCCCC#N)c2)CC1 ZINC000518080017 562103889 /nfs/dbraw/zinc/10/38/89/562103889.db2.gz BYKIVXMRXGUKSL-UHFFFAOYSA-N 1 0 372.469 2.108 20 30 FEEDRO COCCOc1ccc(C#N)cc1NC(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000371765903 557287156 /nfs/dbraw/zinc/28/71/56/557287156.db2.gz LXLQYCHQEHLKGF-HOTGVXAUSA-N 1 0 358.442 2.332 20 30 FEEDRO C[NH+]1CCC(C#N)(NC(=O)COc2ccc(Oc3ccccn3)cc2)CC1 ZINC000518300259 562108140 /nfs/dbraw/zinc/10/81/40/562108140.db2.gz YMFNEEOCHZSROC-UHFFFAOYSA-N 1 0 366.421 2.357 20 30 FEEDRO Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)NCC(C)(C)C[NH+](C)C)C2)n1 ZINC000371842882 557309811 /nfs/dbraw/zinc/30/98/11/557309811.db2.gz NOYYCAGVFWKZKV-QGZVFWFLSA-N 1 0 357.502 2.182 20 30 FEEDRO CCCNc1ccc(C[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)cc1 ZINC000518759113 562117768 /nfs/dbraw/zinc/11/77/68/562117768.db2.gz JXKGSGZUAIJMKZ-UHFFFAOYSA-N 1 0 358.467 2.339 20 30 FEEDRO C=CCN1C(=O)c2ccc(C(=O)NCC[N@@H+](C)C3CCCCC3)cc2C1=O ZINC000519062519 562124350 /nfs/dbraw/zinc/12/43/50/562124350.db2.gz RLZFODZIJALNGD-UHFFFAOYSA-N 1 0 369.465 2.463 20 30 FEEDRO CCO[C@H](C)c1noc(CN2CCCN(c3nc(C)ccc3C#N)CC2)n1 ZINC000372318789 557438284 /nfs/dbraw/zinc/43/82/84/557438284.db2.gz OLCCGUODDATDOE-OAHLLOKOSA-N 1 0 370.457 2.455 20 30 FEEDRO C[C@@H](C#N)Oc1ccc(C[NH+]2CCC(N3C(=O)CCCC3=O)CC2)cc1 ZINC000372480049 557481530 /nfs/dbraw/zinc/48/15/30/557481530.db2.gz BAPSUUPLRMNGLV-HNNXBMFYSA-N 1 0 355.438 2.481 20 30 FEEDRO CC(C)[NH+]1CCN([C@H]2CCN(Cc3c(C#N)cccc3[N+](=O)[O-])C2)CC1 ZINC000519586741 562135822 /nfs/dbraw/zinc/13/58/22/562135822.db2.gz SRWLZGCLPTXZLR-KRWDZBQOSA-N 1 0 357.458 2.067 20 30 FEEDRO CC(C)NC(=O)c1cnn2c1C[C@H](C[NH2+]Cc1cccc(C#N)c1)CC2 ZINC000372617555 557522302 /nfs/dbraw/zinc/52/23/02/557522302.db2.gz ISEOCZRQWVWYCK-QGZVFWFLSA-N 1 0 351.454 2.245 20 30 FEEDRO C=CCc1ccccc1OC[C@H](O)C[NH2+]Cc1cccc(C(=O)NC)c1 ZINC000519546534 562134285 /nfs/dbraw/zinc/13/42/85/562134285.db2.gz ZLVKCDKXXWLBEH-LJQANCHMSA-N 1 0 354.450 2.304 20 30 FEEDRO CC[NH+]1CCC(N(C)C(=O)[C@@H]2C[C@H]3CCCC[C@@H]3N2C(=O)CC#N)CC1 ZINC000372954284 557596401 /nfs/dbraw/zinc/59/64/01/557596401.db2.gz LRDNUORRFPLVFQ-NJAFHUGGSA-N 1 0 360.502 2.002 20 30 FEEDRO C#CC[C@]1(C(=O)N(C)C2CC[NH+](C)CC2)CCCN1C(=O)OC(C)(C)C ZINC000373022843 557611801 /nfs/dbraw/zinc/61/18/01/557611801.db2.gz HBWNDMVUUJDAMA-HXUWFJFHSA-N 1 0 363.502 2.332 20 30 FEEDRO C=CCNC(=O)[C@@H](C)[NH+]1CCC(c2c[nH]c3ccc(C(N)=O)cc32)CC1 ZINC000373126258 557634175 /nfs/dbraw/zinc/63/41/75/557634175.db2.gz PCBGXSAKDBDYHZ-CYBMUJFWSA-N 1 0 354.454 2.137 20 30 FEEDRO CCOc1ccc(NC(=O)CC[NH+]2CCC(n3cnc(C#N)n3)CC2)cc1 ZINC000373398178 557686844 /nfs/dbraw/zinc/68/68/44/557686844.db2.gz FFRINEWILNZQPI-UHFFFAOYSA-N 1 0 368.441 2.214 20 30 FEEDRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N1CCC(n2cnc(C#N)n2)CC1 ZINC000373450653 557695920 /nfs/dbraw/zinc/69/59/20/557695920.db2.gz ACVOZKYXGSKACK-MRXNPFEDSA-N 1 0 373.505 2.151 20 30 FEEDRO COc1cc(OC)c(OC)cc1C[NH+]1CCC(n2cnc(C#N)n2)CC1 ZINC000373477613 557700868 /nfs/dbraw/zinc/70/08/68/557700868.db2.gz ABLVPNAIUQZSOX-UHFFFAOYSA-N 1 0 357.414 2.013 20 30 FEEDRO CCCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](CC(=O)NCc2cccc(C#N)c2)C1 ZINC000521186786 562171265 /nfs/dbraw/zinc/17/12/65/562171265.db2.gz SSVCXOIQNDVBCJ-QFBILLFUSA-N 1 0 370.497 2.191 20 30 FEEDRO N#Cc1ccc([C@@H](O)C[N@@H+]2CCC[C@@H](CNC(=O)c3ccco3)C2)cc1 ZINC000374565430 557900428 /nfs/dbraw/zinc/90/04/28/557900428.db2.gz GZFJXHZKGVBKRO-WMZOPIPTSA-N 1 0 353.422 2.327 20 30 FEEDRO CCn1cc(CN2CCCN(C(=O)c3ccc(C#N)c(Cl)n3)CC2)cn1 ZINC000375089945 557975985 /nfs/dbraw/zinc/97/59/85/557975985.db2.gz JTZRJYSYNPEQAG-UHFFFAOYSA-N 1 0 372.860 2.171 20 30 FEEDRO COC(=O)c1cn([C@H]2CC[N@H+](Cc3cccc(OCCCC#N)c3)C2)nn1 ZINC000375203107 557991550 /nfs/dbraw/zinc/99/15/50/557991550.db2.gz UBQXRRIOZKQPCS-INIZCTEOSA-N 1 0 369.425 2.194 20 30 FEEDRO N#Cc1cccc(OCCC[NH+]2CCC(N3C(=O)CCCC3=O)CC2)c1 ZINC000375329757 558010000 /nfs/dbraw/zinc/01/00/00/558010000.db2.gz WDKCRMMDNFFIBA-UHFFFAOYSA-N 1 0 355.438 2.331 20 30 FEEDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CCC(C#N)(c2ccccn2)CC1 ZINC000375595651 558054467 /nfs/dbraw/zinc/05/44/67/558054467.db2.gz IAPINZGJXSFJHH-NVXWUHKLSA-N 1 0 353.470 2.131 20 30 FEEDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CCC(C#N)(c2ccccn2)CC1 ZINC000375595652 558054537 /nfs/dbraw/zinc/05/45/37/558054537.db2.gz IAPINZGJXSFJHH-RDJZCZTQSA-N 1 0 353.470 2.131 20 30 FEEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@@H]2CCCN(S(=O)(=O)C3CC3)C2)cc1 ZINC000375770445 558079602 /nfs/dbraw/zinc/07/96/02/558079602.db2.gz UCVATNZYRKRKLU-GDBMZVCRSA-N 1 0 363.483 2.024 20 30 FEEDRO N#Cc1ccc(N2CCC([NH2+][C@@H]3CCCc4c3cnn4CCO)CC2)cc1 ZINC000375795871 558080852 /nfs/dbraw/zinc/08/08/52/558080852.db2.gz YJIGVPQNDFRXSV-HXUWFJFHSA-N 1 0 365.481 2.383 20 30 FEEDRO N#Cc1cc(C(=O)NC[C@@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)ccc1F ZINC000376068931 558122526 /nfs/dbraw/zinc/12/25/26/558122526.db2.gz QKKYKJBCJAFVMK-ZWKOTPCHSA-N 1 0 353.397 2.063 20 30 FEEDRO C#CCCCS(=O)(=O)N[C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000376289768 558153107 /nfs/dbraw/zinc/15/31/07/558153107.db2.gz MHGZZBLPABYUCV-QGZVFWFLSA-N 1 0 362.495 2.307 20 30 FEEDRO N#Cc1ccc(OC2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)c(F)c1 ZINC000376420460 558170801 /nfs/dbraw/zinc/17/08/01/558170801.db2.gz LFUGXFANETZADM-QGZVFWFLSA-N 1 0 357.429 2.409 20 30 FEEDRO CC1(C)C(=O)N[C@@H]1C1CC[NH+](CCC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000521757613 562183178 /nfs/dbraw/zinc/18/31/78/562183178.db2.gz WPWSHMPPHCCZGH-GOSISDBHSA-N 1 0 354.454 2.123 20 30 FEEDRO C[N@@H+]1CCC[C@@H]1CNC(=O)C1CCN(c2c(F)cc(C#N)cc2F)CC1 ZINC000376622252 558198880 /nfs/dbraw/zinc/19/88/80/558198880.db2.gz NUJPZOYGJYDRFF-OAHLLOKOSA-N 1 0 362.424 2.263 20 30 FEEDRO CC[NH+](CC)CCO[C@H]1CCN([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000376783798 558221275 /nfs/dbraw/zinc/22/12/75/558221275.db2.gz ZKJHYPJKTRAGNU-PMACEKPBSA-N 1 0 370.497 2.096 20 30 FEEDRO CCCC(=O)NC[C@@H]1CCC[N@@H+]([C@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000522418469 562198199 /nfs/dbraw/zinc/19/81/99/562198199.db2.gz UHQDETFBBAUWJZ-SJORKVTESA-N 1 0 362.518 2.346 20 30 FEEDRO COC(=O)c1cc(C[N@@H+]2CCCN(c3ccc(C#N)cc3)CC2)cn1C ZINC000377647249 558386167 /nfs/dbraw/zinc/38/61/67/558386167.db2.gz JZMXRLLIOFVUEP-UHFFFAOYSA-N 1 0 352.438 2.396 20 30 FEEDRO N#C[C@@H]1CN(C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CCN1Cc1ccccc1 ZINC000377669788 558391694 /nfs/dbraw/zinc/39/16/94/558391694.db2.gz ORUWWVZJSLJSDE-XUVXKRRUSA-N 1 0 367.497 2.033 20 30 FEEDRO CN1CC[C@@H]([NH2+]CC(=O)N(CCC#N)CCC#N)[C@H]1c1ccc(Cl)cc1 ZINC000377685345 558396367 /nfs/dbraw/zinc/39/63/67/558396367.db2.gz ZXWKKPYPJCBHSH-IEBWSBKVSA-N 1 0 373.888 2.331 20 30 FEEDRO C[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccc(C#N)cc2)[C@H]1c1cccs1 ZINC000377759873 558413634 /nfs/dbraw/zinc/41/36/34/558413634.db2.gz IAUQVCDZXVUQFT-PBHICJAKSA-N 1 0 368.462 2.367 20 30 FEEDRO C#CCOCCC(=O)N(CCC)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000378280949 558518708 /nfs/dbraw/zinc/51/87/08/558518708.db2.gz ICYAITGEMVUPHK-UHFFFAOYSA-N 1 0 358.486 2.341 20 30 FEEDRO CC[NH+](CC)C[C@H](C)NC(=O)N1CCN(c2ccc(C#N)cc2F)CC1 ZINC000523876520 562221175 /nfs/dbraw/zinc/22/11/75/562221175.db2.gz KPPVELMOWJVKGR-HNNXBMFYSA-N 1 0 361.465 2.259 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@H](C(=O)N3CCCC3)C2)CC1 ZINC000408137665 558650708 /nfs/dbraw/zinc/65/07/08/558650708.db2.gz GWUPDQSVCBJZSM-KRWDZBQOSA-N 1 0 362.518 2.071 20 30 FEEDRO CCC[NH+](CCC)CCCNC(=O)N1CCN(c2cc(C#N)ccn2)CC1 ZINC000524183184 562225073 /nfs/dbraw/zinc/22/50/73/562225073.db2.gz HCJMGWDBWJDZRI-UHFFFAOYSA-N 1 0 372.517 2.297 20 30 FEEDRO CCN(CCC#N)S(=O)(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1 ZINC000409595826 558706634 /nfs/dbraw/zinc/70/66/34/558706634.db2.gz HMSOBIIAIWCRHG-UHFFFAOYSA-N 1 0 372.922 2.184 20 30 FEEDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H](C)n1cnc(C#N)n1 ZINC000409757161 558718799 /nfs/dbraw/zinc/71/87/99/558718799.db2.gz DQFZWLDGAMBVIS-AEFFLSMTSA-N 1 0 366.469 2.081 20 30 FEEDRO C[C@@H](C(=O)NCC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)n1cnc(C#N)n1 ZINC000409851838 558723226 /nfs/dbraw/zinc/72/32/26/558723226.db2.gz ANTHJMROWSAIHV-SOLBZPMBSA-N 1 0 366.469 2.128 20 30 FEEDRO CCN(CCC#N)S(=O)(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000410137646 558741530 /nfs/dbraw/zinc/74/15/30/558741530.db2.gz NOZOMFMWPWSCCM-OAHLLOKOSA-N 1 0 352.504 2.186 20 30 FEEDRO CC[N@H+](CCC1CCN(C(=O)C(=O)N(C)C[C@@H](C)C#N)CC1)CC(C)C ZINC000410915211 558823157 /nfs/dbraw/zinc/82/31/57/558823157.db2.gz MNGYOLIXEYEULX-KRWDZBQOSA-N 1 0 364.534 2.211 20 30 FEEDRO C=CC1CCN(C(=O)C(=O)Nc2ccc(OCC[NH+](C)C)c(C)c2)CC1 ZINC000411222647 558855796 /nfs/dbraw/zinc/85/57/96/558855796.db2.gz WXGHJGHJEYUVKL-UHFFFAOYSA-N 1 0 359.470 2.299 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(OC)c(SC)c2)CC1 ZINC000411255337 558861700 /nfs/dbraw/zinc/86/17/00/558861700.db2.gz GWDQPROGKHMLQM-UHFFFAOYSA-N 1 0 363.483 2.122 20 30 FEEDRO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCCc3c(cnn3C)C2)c(OC)c1 ZINC000411852206 558976071 /nfs/dbraw/zinc/97/60/71/558976071.db2.gz YPEDYLRAJACJOG-GOSISDBHSA-N 1 0 371.481 2.345 20 30 FEEDRO CO[C@@](C)([C@H](C)[NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1)C1CC1 ZINC000411968932 558997159 /nfs/dbraw/zinc/99/71/59/558997159.db2.gz KQHFUQTWJLRROZ-XOBRGWDASA-N 1 0 367.453 2.476 20 30 FEEDRO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@H](c1ccccc1)C1(CO)CCOCC1 ZINC000412009519 559001848 /nfs/dbraw/zinc/00/18/48/559001848.db2.gz JIHUJSIAOADBTO-YLJYHZDGSA-N 1 0 373.497 2.115 20 30 FEEDRO CC(C)[N@H+](C[C@@H]1CCC(=O)N1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000412065088 559008666 /nfs/dbraw/zinc/00/86/66/559008666.db2.gz CVEYLOYKGLADMU-FUHWJXTLSA-N 1 0 354.454 2.043 20 30 FEEDRO C=CC[C@@H](C(=O)N[C@H](C)C(=O)NCC[NH+]1CCCCC1)c1ccccc1 ZINC000412325934 559027878 /nfs/dbraw/zinc/02/78/78/559027878.db2.gz ZDVZHKVFQVICII-IEBWSBKVSA-N 1 0 357.498 2.453 20 30 FEEDRO CN(CCC[NH+](C)C)C(=O)NC1CCC(Oc2ncccc2C#N)CC1 ZINC000526111267 562267205 /nfs/dbraw/zinc/26/72/05/562267205.db2.gz HQMPZQKMNROZBH-UHFFFAOYSA-N 1 0 359.474 2.236 20 30 FEEDRO C=CCC[C@H](NC(=O)N1CC[N@H+](C)C[C@H](C(=O)OC)C1)c1ccccc1 ZINC000413402926 559105238 /nfs/dbraw/zinc/10/52/38/559105238.db2.gz NXSRQVHZHAZVPQ-ROUUACIJSA-N 1 0 359.470 2.440 20 30 FEEDRO Cc1cc(C#N)ccc1S(=O)(=O)N[C@@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000414457813 559165212 /nfs/dbraw/zinc/16/52/12/559165212.db2.gz GOWMZNARLZVMFV-QZTJIDSGSA-N 1 0 355.463 2.243 20 30 FEEDRO C[NH+](C)CCN(C1CC1)S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000414463735 559165735 /nfs/dbraw/zinc/16/57/35/559165735.db2.gz OHPCBGIQVZQPIZ-UHFFFAOYSA-N 1 0 361.389 2.292 20 30 FEEDRO C=CCOc1c(Br)cc(C[NH2+]C[C@H]2CNCCO2)cc1OC ZINC000415093033 559204896 /nfs/dbraw/zinc/20/48/96/559204896.db2.gz HHZGJRYVRFBHFD-CYBMUJFWSA-N 1 0 371.275 2.101 20 30 FEEDRO C=CCC1(CNC(=O)C(=O)Nc2cnc3c(c2)C[C@H]([NH3+])CC3)CCCC1 ZINC000415251302 559218493 /nfs/dbraw/zinc/21/84/93/559218493.db2.gz CJSGNQNHAKZYFZ-OAHLLOKOSA-N 1 0 356.470 2.089 20 30 FEEDRO N#Cc1ccc(Oc2ccc(NC(=O)C(=O)NC3CC[NH2+]CC3)cc2)cc1 ZINC000415266128 559219726 /nfs/dbraw/zinc/21/97/26/559219726.db2.gz GKUDOGAUOPCYRX-UHFFFAOYSA-N 1 0 364.405 2.157 20 30 FEEDRO CC(C)[C@H]1CCc2c(C#N)c(NC(=O)C(=O)NC[C@H]3CCC[NH2+]3)sc2C1 ZINC000415372815 559228562 /nfs/dbraw/zinc/22/85/62/559228562.db2.gz GVLULXNRYBOMCD-QWHCGFSZSA-N 1 0 374.510 2.187 20 30 FEEDRO C[C@@H]([NH3+])C1CCN(C(=O)C(=O)Nc2scc(C(C)(C)C)c2C#N)CC1 ZINC000415382162 559229449 /nfs/dbraw/zinc/22/94/49/559229449.db2.gz JXUQMBCGPUCEII-LLVKDONJSA-N 1 0 362.499 2.442 20 30 FEEDRO CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000415420481 559233903 /nfs/dbraw/zinc/23/39/03/559233903.db2.gz AOMQNTWLGUTLIG-HNNXBMFYSA-N 1 0 359.474 2.077 20 30 FEEDRO CC1(C)[NH2+]CC[C@H]1NC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 ZINC000415439767 559237187 /nfs/dbraw/zinc/23/71/87/559237187.db2.gz DKCQPHPOCRJJQN-CQSZACIVSA-N 1 0 358.833 2.659 20 30 FEEDRO N#Cc1cccc(Oc2ccc(NC(=O)C(=O)NCC3([NH3+])CCC3)cc2)c1 ZINC000415562270 559249998 /nfs/dbraw/zinc/24/99/98/559249998.db2.gz PHRSQGBCVWELEC-UHFFFAOYSA-N 1 0 364.405 2.287 20 30 FEEDRO N#CCCSc1ccccc1NC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000415579263 559251957 /nfs/dbraw/zinc/25/19/57/559251957.db2.gz JZPHTLCUOOXPMC-KKUMJFAQSA-N 1 0 372.494 2.217 20 30 FEEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000415646153 559257690 /nfs/dbraw/zinc/25/76/90/559257690.db2.gz MMCHGRCGNYZNLQ-RDBSUJKOSA-N 1 0 360.483 2.263 20 30 FEEDRO C=C(C)COc1cccc(NC(=O)C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000415722011 559265186 /nfs/dbraw/zinc/26/51/86/559265186.db2.gz KDSUKVBVLFQDBR-HXUWFJFHSA-N 1 0 357.454 2.182 20 30 FEEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000415773032 559269748 /nfs/dbraw/zinc/26/97/48/559269748.db2.gz UZTMSMNAVXLROP-KFWWJZLASA-N 1 0 372.494 2.230 20 30 FEEDRO CCc1ccccc1[C@H]([NH3+])CNC(=O)C(=O)Nc1cccc(CC#N)c1 ZINC000415832593 559276311 /nfs/dbraw/zinc/27/63/11/559276311.db2.gz GWBSPTTXGRRFLR-GOSISDBHSA-N 1 0 350.422 2.070 20 30 FEEDRO [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)Nc2ccccc2C#Cc2ccccc2)C1 ZINC000415842185 559277581 /nfs/dbraw/zinc/27/75/81/559277581.db2.gz WSQDQQOHGJFTFH-HKUYNNGSSA-N 1 0 361.445 2.269 20 30 FEEDRO O=C(Nc1cccc(C#Cc2ccccc2)c1)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000415865927 559279788 /nfs/dbraw/zinc/27/97/88/559279788.db2.gz JGYPDFBHLCTINO-UXHICEINSA-N 1 0 373.456 2.093 20 30 FEEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)NCCC[NH2+]C1CC1 ZINC000415865050 559279838 /nfs/dbraw/zinc/27/98/38/559279838.db2.gz WVSFTASRPBBJKV-ZDUSSCGKSA-N 1 0 360.483 2.135 20 30 FEEDRO CC[NH2+]Cc1ccccc1NC(=O)N1CCN(c2cccc(C#N)n2)CC1 ZINC000415911955 559282469 /nfs/dbraw/zinc/28/24/69/559282469.db2.gz FKYPYXZBOQFXQM-UHFFFAOYSA-N 1 0 364.453 2.417 20 30 FEEDRO C=CCN1CC[C@H](N(C)C(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)C1=O ZINC000415969936 559285836 /nfs/dbraw/zinc/28/58/36/559285836.db2.gz KTIPASHNFUFKCC-AWEZNQCLSA-N 1 0 370.375 2.415 20 30 FEEDRO C=CCSCCNC(=O)Nc1ccccc1OCCN1CC[NH2+]CC1 ZINC000416007520 559288790 /nfs/dbraw/zinc/28/87/90/559288790.db2.gz BEMVVOUXDVKNCM-UHFFFAOYSA-N 1 0 364.515 2.011 20 30 FEEDRO C=CCN1C(=O)c2ccc(C(=O)NC3CC([NH+]4CCCCC4)C3)cc2C1=O ZINC000527267810 562283099 /nfs/dbraw/zinc/28/30/99/562283099.db2.gz CCZXRBWUFOLTOJ-UHFFFAOYSA-N 1 0 367.449 2.215 20 30 FEEDRO C[N@@H+](Cc1cccc(C#N)c1)C[C@@H](O)COc1ccc2c(c1)CCC(=O)N2 ZINC000416462540 559314875 /nfs/dbraw/zinc/31/48/75/559314875.db2.gz QZNUMWYHOWPPGF-GOSISDBHSA-N 1 0 365.433 2.315 20 30 FEEDRO CC(C)C[C@@H](C[NH3+])NC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000417583948 559367873 /nfs/dbraw/zinc/36/78/73/559367873.db2.gz XEZVFQZSOAQVTB-CVEARBPZSA-N 1 0 361.465 2.339 20 30 FEEDRO C=CCOc1ccccc1CNC(=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000417596795 559368821 /nfs/dbraw/zinc/36/88/21/559368821.db2.gz LPESDUKFPVALKK-QGZVFWFLSA-N 1 0 359.470 2.148 20 30 FEEDRO C[NH2+]C[C@@H]1CCN(C(=O)NC2CCC(Oc3ccccc3C#N)CC2)C1 ZINC000417600407 559368847 /nfs/dbraw/zinc/36/88/47/559368847.db2.gz JHJLLFOUABRLIN-ZLPCBKJTSA-N 1 0 356.470 2.499 20 30 FEEDRO N#Cc1ccccc1-c1ccc(CNC(=O)N2CCO[C@@H](C[NH3+])C2)cc1 ZINC000417987843 559385231 /nfs/dbraw/zinc/38/52/31/559385231.db2.gz PEAVEHUPMKQXCJ-SFHVURJKSA-N 1 0 350.422 2.094 20 30 FEEDRO CN1CCN(c2ncc(C[NH2+][C@H]3CCCc4cc(C#N)ccc43)cn2)CC1 ZINC000418145817 559391793 /nfs/dbraw/zinc/39/17/93/559391793.db2.gz OFNDNRYXUDWLNK-FQEVSTJZSA-N 1 0 362.481 2.267 20 30 FEEDRO N#C[C@H]1CN(C(=O)N[C@H](C[NH3+])C2CCCCC2)CCN1Cc1ccccc1 ZINC000418358640 559398976 /nfs/dbraw/zinc/39/89/76/559398976.db2.gz DQXLMTYZPMSGQK-VQTJNVASSA-N 1 0 369.513 2.314 20 30 FEEDRO N#Cc1ccc(N2CCN(C(=O)N[C@H]3CCCC[C@@H]3C[NH3+])CC2)c(F)c1 ZINC000418420228 559400846 /nfs/dbraw/zinc/40/08/46/559400846.db2.gz YUBRFUNZOPFNLU-WBVHZDCISA-N 1 0 359.449 2.046 20 30 FEEDRO N#Cc1ccccc1N1CCCN(C(=O)NC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000418458140 559402559 /nfs/dbraw/zinc/40/25/59/559402559.db2.gz WNEPHSSBJUWDKQ-LJQANCHMSA-N 1 0 363.465 2.480 20 30 FEEDRO C=CCN(Cc1ccccc1)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418609908 559407810 /nfs/dbraw/zinc/40/78/10/559407810.db2.gz GEDXBVSOLVJBGL-INIZCTEOSA-N 1 0 370.419 2.220 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NC[C@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000418812335 559417050 /nfs/dbraw/zinc/41/70/50/559417050.db2.gz BFUVPQXAKKFJJQ-QYZOEREBSA-N 1 0 373.497 2.023 20 30 FEEDRO C=CCOc1ccccc1CNC(=O)C(=O)NCC1([NH3+])CCCCCC1 ZINC000418934071 559422456 /nfs/dbraw/zinc/42/24/56/559422456.db2.gz IXZBAAXNMDRPML-UHFFFAOYSA-N 1 0 359.470 2.036 20 30 FEEDRO C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000419060496 559426645 /nfs/dbraw/zinc/42/66/45/559426645.db2.gz TYPPOOHYNWCRIU-PMACEKPBSA-N 1 0 369.509 2.281 20 30 FEEDRO C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000419064082 559426842 /nfs/dbraw/zinc/42/68/42/559426842.db2.gz XGJAYIXYOJFABE-RTBURBONSA-N 1 0 357.498 2.314 20 30 FEEDRO C[C@H](CC[NH3+])NC(=O)C(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000419203962 559432550 /nfs/dbraw/zinc/43/25/50/559432550.db2.gz HKSBUDNOXXNBGY-HUUCEWRRSA-N 1 0 364.449 2.256 20 30 FEEDRO C[C@@H]1CN(Cc2cc(C#N)ccc2Br)[C@@H](C)C[N@@H+]1CCO ZINC000419348528 559438914 /nfs/dbraw/zinc/43/89/14/559438914.db2.gz XRCBWBLUVMATQP-OLZOCXBDSA-N 1 0 352.276 2.208 20 30 FEEDRO C=CCC[C@@H](NC(=O)C(=O)N1CC[C@@H]([NH3+])C1)c1ccc(C(F)(F)F)cc1 ZINC000419482259 559444643 /nfs/dbraw/zinc/44/46/43/559444643.db2.gz YAHSEIRIHSIINL-HUUCEWRRSA-N 1 0 369.387 2.389 20 30 FEEDRO N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000419603265 559449440 /nfs/dbraw/zinc/44/94/40/559449440.db2.gz BAZYHEFALVMHJC-MJGOQNOKSA-N 1 0 356.470 2.082 20 30 FEEDRO CN(CCN1CC[NH+](Cc2ccccc2)CC1)C(=O)NCC1(C#N)CCC1 ZINC000419635618 559450794 /nfs/dbraw/zinc/45/07/94/559450794.db2.gz GJLCZOOGPHETMF-UHFFFAOYSA-N 1 0 369.513 2.139 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2c(OC)cccc2SC)CC1 ZINC000419671936 559452971 /nfs/dbraw/zinc/45/29/71/559452971.db2.gz HLRVVOJQTGIVFR-UHFFFAOYSA-N 1 0 363.483 2.122 20 30 FEEDRO C=C(C)[C@@H](NC(=O)C(=O)N(C)[C@@H]1CCC[NH2+]CC1)c1ccc(F)c(F)c1 ZINC000419676725 559453313 /nfs/dbraw/zinc/45/33/13/559453313.db2.gz MAHMGJWLJQRTEU-RHSMWYFYSA-N 1 0 365.424 2.299 20 30 FEEDRO C=CCN(Cc1ccccc1F)C(=O)C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000420172627 559475587 /nfs/dbraw/zinc/47/55/87/559475587.db2.gz VVKFKCRASCZPSL-QGZVFWFLSA-N 1 0 361.461 2.235 20 30 FEEDRO C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)C[C@@]1(C)C[NH3+] ZINC000420468111 559489169 /nfs/dbraw/zinc/48/91/69/559489169.db2.gz ZDNVUXVBPBANNE-QMTHXVAHSA-N 1 0 361.389 2.182 20 30 FEEDRO N#Cc1cc(S(=O)(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)ccc1C(F)(F)F ZINC000420477205 559489712 /nfs/dbraw/zinc/48/97/12/559489712.db2.gz ZNNIBMNFGNZLRA-CMPLNLGQSA-N 1 0 361.389 2.373 20 30 FEEDRO CC(=O)N[C@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)C1 ZINC000420988401 559517870 /nfs/dbraw/zinc/51/78/70/559517870.db2.gz QLBNCHRSXCMZPM-ZDUSSCGKSA-N 1 0 360.483 2.038 20 30 FEEDRO C[C@@H]1CC[C@H](O)C[N@@H+]1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000421004074 559518880 /nfs/dbraw/zinc/51/88/80/559518880.db2.gz FKNFWUWAVXBKET-CJNGLKHVSA-N 1 0 354.372 2.018 20 30 FEEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000422493097 559591868 /nfs/dbraw/zinc/59/18/68/559591868.db2.gz XMBUHLILKOBSRN-KRWDZBQOSA-N 1 0 373.497 2.058 20 30 FEEDRO C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC000422533838 559593354 /nfs/dbraw/zinc/59/33/54/559593354.db2.gz YDICEMPNFIGICM-PXNSSMCTSA-N 1 0 371.525 2.479 20 30 FEEDRO C[C@H](C(=O)NC1(C#N)CCC1)N1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000527299983 562284306 /nfs/dbraw/zinc/28/43/06/562284306.db2.gz PVAIQQQAGRNFEJ-HZPDHXFCSA-N 1 0 370.501 2.135 20 30 FEEDRO CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)[C@@H]([NH3+])CCCC#N ZINC000424072104 559653776 /nfs/dbraw/zinc/65/37/76/559653776.db2.gz CHSIMDZBFWKHFS-LBPRGKRZSA-N 1 0 357.241 2.411 20 30 FEEDRO N#CCCC[C@@H]([NH3+])C(=O)N1CCC(c2nc(-c3ccccc3)n[nH]2)CC1 ZINC000424111986 559655230 /nfs/dbraw/zinc/65/52/30/559655230.db2.gz HVKSNDNGXHMSAM-MRXNPFEDSA-N 1 0 352.442 2.199 20 30 FEEDRO N#CCCC[C@H]([NH3+])C(=O)N1CCO[C@H](c2cccc(Br)c2)C1 ZINC000424116631 559655337 /nfs/dbraw/zinc/65/53/37/559655337.db2.gz XNRATGOABXOHBM-GJZGRUSLSA-N 1 0 366.259 2.370 20 30 FEEDRO N#CCCC[C@@H]([NH3+])C(=O)N1CCO[C@@H](c2cccc(OC(F)F)c2)C1 ZINC000424167176 559656581 /nfs/dbraw/zinc/65/65/81/559656581.db2.gz GWSJXHUAYMMENK-HUUCEWRRSA-N 1 0 353.369 2.209 20 30 FEEDRO C=CCC1(C(=O)Nc2ccc(OC[C@@H](O)C[NH+](C)C)cc2)CCOCC1 ZINC000424710668 559674356 /nfs/dbraw/zinc/67/43/56/559674356.db2.gz IDEHWQAXXKKDTH-KRWDZBQOSA-N 1 0 362.470 2.299 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000425521795 559707662 /nfs/dbraw/zinc/70/76/62/559707662.db2.gz KZEQSXBXHGDXKM-UFYCRDLUSA-N 1 0 373.497 2.168 20 30 FEEDRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN(C)[C@@H](C)c2cccc(C#N)c2)C1 ZINC000425547022 559709069 /nfs/dbraw/zinc/70/90/69/559709069.db2.gz WWNUUXFAOFNTEW-PXNSSMCTSA-N 1 0 372.513 2.024 20 30 FEEDRO C=CCn1cc(CNC(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)nn1 ZINC000425640937 559712594 /nfs/dbraw/zinc/71/25/94/559712594.db2.gz BUAGDISCACGMDJ-INIZCTEOSA-N 1 0 358.446 2.084 20 30 FEEDRO C=CCn1cc(CNC(=O)NC[C@H](c2ccc(CC)cc2)[NH+](C)C)nn1 ZINC000425651652 559713079 /nfs/dbraw/zinc/71/30/79/559713079.db2.gz YNEUEBKYRXCBAC-GOSISDBHSA-N 1 0 356.474 2.129 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(C)[C@@H](C)c2cccc(C#N)c2)CC1 ZINC000425875886 559723632 /nfs/dbraw/zinc/72/36/32/559723632.db2.gz FONVYFLTNGZCEG-INIZCTEOSA-N 1 0 368.481 2.234 20 30 FEEDRO CCC[NH+]1CCC(CNC(=O)C(=O)N(C)[C@@H](C)c2cccc(C#N)c2)CC1 ZINC000425879300 559723751 /nfs/dbraw/zinc/72/37/51/559723751.db2.gz ZMNTWTWJYWOSCC-INIZCTEOSA-N 1 0 370.497 2.316 20 30 FEEDRO C=C[C@@H]1CCCCN1C(=O)C(=O)Nc1ccnn1C1CC[NH+](CC)CC1 ZINC000427707163 559760682 /nfs/dbraw/zinc/76/06/82/559760682.db2.gz PKORDBSTTHQSAW-OAHLLOKOSA-N 1 0 359.474 2.046 20 30 FEEDRO C=CCN1CCC([NH2+][C@@H](C)Cn2cc(Br)ccc2=O)CC1 ZINC000428230023 559771893 /nfs/dbraw/zinc/77/18/93/559771893.db2.gz OEUKJIGCPFMLKD-ZDUSSCGKSA-N 1 0 354.292 2.239 20 30 FEEDRO C=CC[N@@H+](C)CCN(CC)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000429703863 559804172 /nfs/dbraw/zinc/80/41/72/559804172.db2.gz TVSMASZUCRGWFD-HNNXBMFYSA-N 1 0 354.292 2.415 20 30 FEEDRO C=CCN(C(=O)[C@@H]1CCC[C@H]([NH3+])C1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000430524078 559821643 /nfs/dbraw/zinc/82/16/43/559821643.db2.gz JFRUYWJAAFMBOR-UAGQMJEPSA-N 1 0 354.458 2.255 20 30 FEEDRO C=CCC(C)(C)CNC(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000432088128 559851661 /nfs/dbraw/zinc/85/16/61/559851661.db2.gz GHFIJGDCYZFTPQ-UHFFFAOYSA-N 1 0 374.533 2.280 20 30 FEEDRO CCn1cccc(C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)c1=O ZINC000433202636 559873361 /nfs/dbraw/zinc/87/33/61/559873361.db2.gz SCLNUTVEIWATTO-UHFFFAOYSA-N 1 0 362.437 2.330 20 30 FEEDRO C[C@H](C#N)CN(C(=O)C(=O)Nc1cccc2c1OCC[C@H]2[NH+](C)C)C1CC1 ZINC000435066546 559915457 /nfs/dbraw/zinc/91/54/57/559915457.db2.gz OBLVAZNOROYQOE-CXAGYDPISA-N 1 0 370.453 2.161 20 30 FEEDRO C=C(C)CS(=O)(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCOCC1 ZINC000435420764 559922408 /nfs/dbraw/zinc/92/24/08/559922408.db2.gz DOGDFUBVWFOWMH-MRXNPFEDSA-N 1 0 352.500 2.382 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1cc(Cl)c(OCC(N)=O)c(OC)c1 ZINC000435752170 559929512 /nfs/dbraw/zinc/92/95/12/559929512.db2.gz WNOMHYVYRZPOKJ-GUYCJALGSA-N 1 0 368.861 2.284 20 30 FEEDRO CN(C)C(=O)N1CCC([NH2+]C2CCC(Oc3ncccc3C#N)CC2)CC1 ZINC000437110352 559960538 /nfs/dbraw/zinc/96/05/38/559960538.db2.gz VMDZWFQKZYDEEM-UHFFFAOYSA-N 1 0 371.485 2.379 20 30 FEEDRO CN(C(=O)C(=O)Nc1cccc(OCCCC#N)c1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000439583965 559997286 /nfs/dbraw/zinc/99/72/86/559997286.db2.gz AGUFXGAPXYDCRH-KRWDZBQOSA-N 1 0 370.453 2.003 20 30 FEEDRO C[C@@H](NS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1)[C@H]1CCC[NH2+]C1 ZINC000440359951 560009541 /nfs/dbraw/zinc/00/95/41/560009541.db2.gz QKIUOVPNXGTSCO-PWSUYJOCSA-N 1 0 361.389 2.243 20 30 FEEDRO CCN1C[C@H](C)N(C(=O)C(=O)Nc2cccc(OCCCC#N)c2)C[C@@H]1C ZINC000441106263 560024170 /nfs/dbraw/zinc/02/41/70/560024170.db2.gz QYIJXIXQHRUFLS-HOTGVXAUSA-N 1 0 372.469 2.249 20 30 FEEDRO CCOc1ccccc1CN1CC[N@H+](CCC(=O)N(C)CCC#N)[C@@H](C)C1 ZINC000441333277 560028876 /nfs/dbraw/zinc/02/88/76/560028876.db2.gz TZJDBXATPROXGT-SFHVURJKSA-N 1 0 372.513 2.354 20 30 FEEDRO C[C@@H](CNS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)[N@@H+]1CCCC[C@H]1C ZINC000443104689 560070715 /nfs/dbraw/zinc/07/07/15/560070715.db2.gz NYSBTDHISMEYOJ-OLZOCXBDSA-N 1 0 366.443 2.008 20 30 FEEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)C[C@H]1C ZINC000443353914 560081741 /nfs/dbraw/zinc/08/17/41/560081741.db2.gz DMQWHWFMEGWQQW-IUODEOHRSA-N 1 0 362.861 2.481 20 30 FEEDRO COC1CC[NH+](C(C)(C)CNS(=O)(=O)c2ccc(C#N)c(C)c2)CC1 ZINC000443912230 560095903 /nfs/dbraw/zinc/09/59/03/560095903.db2.gz YPDKHDRCXULQHB-UHFFFAOYSA-N 1 0 365.499 2.034 20 30 FEEDRO COc1cccc(C2([NH2+]CCC(=O)N(C)CCC#N)CCOCC2)c1F ZINC000447358436 560160840 /nfs/dbraw/zinc/16/08/40/560160840.db2.gz YOWUYZDMYNYLPU-UHFFFAOYSA-N 1 0 363.433 2.192 20 30 FEEDRO C[C@H](CNC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)[N@H+](C)C1CC1 ZINC000448891646 560205226 /nfs/dbraw/zinc/20/52/26/560205226.db2.gz UVOSAMLYXGPAJG-OCCSQVGLSA-N 1 0 374.872 2.163 20 30 FEEDRO CC[N@@H+]1CC[C@@H](CNC(=O)COc2cccc(Br)c2C#N)C1 ZINC000449790466 560240070 /nfs/dbraw/zinc/24/00/70/560240070.db2.gz LTZMUOAPPIZQLM-LBPRGKRZSA-N 1 0 366.259 2.158 20 30 FEEDRO C[C@H]1CC[N@H+](C)CCN1C(=O)COc1cccc(Br)c1C#N ZINC000449857542 560242884 /nfs/dbraw/zinc/24/28/84/560242884.db2.gz RPJVCNLRJNNSPC-LBPRGKRZSA-N 1 0 366.259 2.252 20 30 FEEDRO C[NH+](C)C[C@@H](O)COc1ccc(NC(=O)[C@@]2(C#N)CC23CCCC3)cc1 ZINC000450134229 560251610 /nfs/dbraw/zinc/25/16/10/560251610.db2.gz OIYCKUNUHYKPAZ-UZLBHIALSA-N 1 0 357.454 2.400 20 30 FEEDRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 ZINC000450372882 560260349 /nfs/dbraw/zinc/26/03/49/560260349.db2.gz BBMQUBXHRKQDPJ-UMVBOHGHSA-N 1 0 374.872 2.116 20 30 FEEDRO COCC[NH+](CCOC)C1CCN(c2cccc(C#N)c2[N+](=O)[O-])CC1 ZINC000450523240 560265196 /nfs/dbraw/zinc/26/51/96/560265196.db2.gz FEJABEZWUBYKMY-UHFFFAOYSA-N 1 0 362.430 2.030 20 30 FEEDRO C[C@H]1[C@@H](NC(=O)COc2cccc(Br)c2C#N)CCC[N@@H+]1C ZINC000450547014 560265795 /nfs/dbraw/zinc/26/57/95/560265795.db2.gz LUOTZBZXGVSWRV-FZMZJTMJSA-N 1 0 366.259 2.298 20 30 FEEDRO COc1cc(OC)c2ncc(C#N)c(NCC[N@H+]3C[C@H]4CC[C@@H](C3)O4)c2c1 ZINC000450789095 560273421 /nfs/dbraw/zinc/27/34/21/560273421.db2.gz IIGUOYOUIGSWQQ-GASCZTMLSA-N 1 0 368.437 2.399 20 30 FEEDRO CCCCO[C@@H]1C[C@@H]([NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)C1(C)C ZINC000450964095 560280301 /nfs/dbraw/zinc/28/03/01/560280301.db2.gz CSTHIIKRYGAEMA-HZPDHXFCSA-N 1 0 365.499 2.300 20 30 FEEDRO N#CCc1ccc(S(=O)(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)c(Cl)c1 ZINC000451044471 560284461 /nfs/dbraw/zinc/28/44/61/560284461.db2.gz PZNNEIUFMJTHQP-CYBMUJFWSA-N 1 0 353.875 2.169 20 30 FEEDRO COC(=O)[C@@H]1CCCCC[C@@H]1[NH2+]CCS(=O)(=O)c1cccc(C#N)c1 ZINC000451234340 560294823 /nfs/dbraw/zinc/29/48/23/560294823.db2.gz CWDQAADQWIVHRX-SJORKVTESA-N 1 0 364.467 2.043 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]CC(=O)Nc1sc(C)c(C)c1C(=O)OC ZINC000451679528 560321533 /nfs/dbraw/zinc/32/15/33/560321533.db2.gz YTRLDNYAHKEEHA-OLZOCXBDSA-N 1 0 352.456 2.413 20 30 FEEDRO C[N@H+](CCCC(C)(C)C#N)CCOc1ccc(S(N)(=O)=O)cc1F ZINC000451989853 560343096 /nfs/dbraw/zinc/34/30/96/560343096.db2.gz PKDPQZIPFVIVIR-UHFFFAOYSA-N 1 0 357.451 2.114 20 30 FEEDRO CCN(C[C@H](C)C#N)C(=O)CN(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000452125294 560352823 /nfs/dbraw/zinc/35/28/23/560352823.db2.gz YPHLGCZZAXZJFI-CQSZACIVSA-N 1 0 362.440 2.343 20 30 FEEDRO C=CCn1c([C@H]2CCCCO2)nnc1N1CC[N@H+](CCOC)[C@@H](CC)C1 ZINC000453438649 560386642 /nfs/dbraw/zinc/38/66/42/560386642.db2.gz KQOROEOKUYCHRQ-DLBZAZTESA-N 1 0 363.506 2.253 20 30 FEEDRO C=C(C)Cn1c(N2CC[N@@H+](CCOC)[C@H](C)C2)nnc1[C@]1(C)CCCO1 ZINC000453472502 560387660 /nfs/dbraw/zinc/38/76/60/560387660.db2.gz XVEOEQHBLVXFON-APWZRJJASA-N 1 0 363.506 2.037 20 30 FEEDRO CCC(CC)[C@@H](CNC(=O)C(=O)Nc1ccc(C#N)c(C)n1)[NH+]1CCCC1 ZINC000453570927 560388954 /nfs/dbraw/zinc/38/89/54/560388954.db2.gz LHCDCBKSPRXZFK-QGZVFWFLSA-N 1 0 371.485 2.217 20 30 FEEDRO N#CCc1ccc(NC(=O)C(=O)NCC[NH+]2CCCCCC2)c(Cl)c1 ZINC000453591361 560390139 /nfs/dbraw/zinc/39/01/39/560390139.db2.gz IPXACCMLNUSJCZ-UHFFFAOYSA-N 1 0 362.861 2.337 20 30 FEEDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)Nc2ccc(CC#N)cc2Cl)C1 ZINC000453672560 560395448 /nfs/dbraw/zinc/39/54/48/560395448.db2.gz NVUNBTVGQILDJP-UONOGXRCSA-N 1 0 362.861 2.334 20 30 FEEDRO CC[NH+](CC)C[C@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1ccc(C#N)c(C)n1 ZINC000453709108 560398589 /nfs/dbraw/zinc/39/85/89/560398589.db2.gz AIISJJNYYCLOCP-SJORKVTESA-N 1 0 371.485 2.217 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1NC(=O)NCCC[N@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000454320959 560439692 /nfs/dbraw/zinc/43/96/92/560439692.db2.gz IVBQOKFAWFNDIH-AABGKKOBSA-N 1 0 372.513 2.008 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@H]1C[C@H]2CCCCN2C1=O)C(C)C ZINC000455623022 560489596 /nfs/dbraw/zinc/48/95/96/560489596.db2.gz MCLXFXKNERBEIB-FGTMMUONSA-N 1 0 362.518 2.138 20 30 FEEDRO C[C@@H]1C[NH+](CCCNC(=O)Nc2cnc(C#N)c(Cl)c2)C[C@@H](C)O1 ZINC000455751925 560493882 /nfs/dbraw/zinc/49/38/82/560493882.db2.gz IKAQWIQBHBOMFO-VXGBXAGGSA-N 1 0 351.838 2.227 20 30 FEEDRO C[NH+](C)CCOc1cnccc1CNC(=O)Nc1cnc(C#N)c(Cl)c1 ZINC000455763941 560494131 /nfs/dbraw/zinc/49/41/31/560494131.db2.gz PVWSUVSACOLBKO-UHFFFAOYSA-N 1 0 374.832 2.264 20 30 FEEDRO CN1CCC([NH+]2CCC(NC(=O)Nc3cccc(CC#N)c3)CC2)CC1 ZINC000455899224 560499616 /nfs/dbraw/zinc/49/96/16/560499616.db2.gz ACOJWGLVJWAGFK-UHFFFAOYSA-N 1 0 355.486 2.433 20 30 FEEDRO C[NH+](C)CCN1C[C@H](C(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)CC1=O ZINC000456099353 560506859 /nfs/dbraw/zinc/50/68/59/560506859.db2.gz BHCHUQCVHNVSGA-OAHLLOKOSA-N 1 0 372.469 2.084 20 30 FEEDRO C[C@@H]1C[N@H+](C)CCN1c1ccc(Br)cc1NC(=O)CC#N ZINC000456378488 560518222 /nfs/dbraw/zinc/51/82/22/560518222.db2.gz VECIZCADLVAFDG-LLVKDONJSA-N 1 0 351.248 2.442 20 30 FEEDRO C=CCOc1ccc(CC(=O)NC(C)(C)CN2CC[NH+](CC)CC2)cc1 ZINC000456876048 560535063 /nfs/dbraw/zinc/53/50/63/560535063.db2.gz FYRHNVSQUPIISF-UHFFFAOYSA-N 1 0 359.514 2.326 20 30 FEEDRO COCCN(CC#N)C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC000457209318 560555918 /nfs/dbraw/zinc/55/59/18/560555918.db2.gz YPNSEHKYRDPCPG-INIZCTEOSA-N 1 0 351.397 2.142 20 30 FEEDRO COc1cc(CNC(=O)c2cc(C)c(C#N)cn2)ccc1OCC[NH+](C)C ZINC000457545289 560573678 /nfs/dbraw/zinc/57/36/78/560573678.db2.gz XZOZZKZOPBGCJF-UHFFFAOYSA-N 1 0 368.437 2.141 20 30 FEEDRO C[N@@H+]1CC[C@@H]2CN(C(=O)NCC#Cc3cccc(C(F)(F)F)c3)C[C@@H]21 ZINC000457569335 560575359 /nfs/dbraw/zinc/57/53/59/560575359.db2.gz AMLNUWUHTCFSQP-ZBFHGGJFSA-N 1 0 351.372 2.402 20 30 FEEDRO Cc1nsc(N2CCN(C(=O)C3C[NH+](C4CCCCC4)C3)CC2)c1C#N ZINC000457817799 560589144 /nfs/dbraw/zinc/58/91/44/560589144.db2.gz UNPPECVJXDQGIB-UHFFFAOYSA-N 1 0 373.526 2.236 20 30 FEEDRO N#CCCC[C@@H](NC(=O)NCC1CC[NH+](CCO)CC1)c1ccccc1 ZINC000458379320 560618709 /nfs/dbraw/zinc/61/87/09/560618709.db2.gz XVITZJPSGBWVLQ-LJQANCHMSA-N 1 0 358.486 2.425 20 30 FEEDRO C=CCC1(NC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CCCCC1 ZINC000458450906 560624109 /nfs/dbraw/zinc/62/41/09/560624109.db2.gz ZSSICPROLMKUDR-INIZCTEOSA-N 1 0 350.507 2.152 20 30 FEEDRO C[NH+](C)CC(C)(C)NC(=O)NC1CCC(Oc2ncccc2C#N)CC1 ZINC000458678011 560640055 /nfs/dbraw/zinc/64/00/55/560640055.db2.gz HFKUEHNACQTKSW-UHFFFAOYSA-N 1 0 359.474 2.283 20 30 FEEDRO CO[C@@H]([C@H](C)NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)C1CC1 ZINC000459211050 560674294 /nfs/dbraw/zinc/67/42/94/560674294.db2.gz WVVLJPAQSQVTRG-KXBFYZLASA-N 1 0 358.486 2.445 20 30 FEEDRO COCC[N@H+](CCOc1ccc(C#N)cc1OC)Cc1c(C)nn(C)c1C ZINC000459573813 560694975 /nfs/dbraw/zinc/69/49/75/560694975.db2.gz SHIQIHKQZJCNRP-UHFFFAOYSA-N 1 0 372.469 2.445 20 30 FEEDRO C=CCN(CC=C)C(=O)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000459818678 560710577 /nfs/dbraw/zinc/71/05/77/560710577.db2.gz RBMTVKREQAICFM-UXHICEINSA-N 1 0 367.493 2.168 20 30 FEEDRO CC[C@@]1(C)CCN(C(=O)C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)C1 ZINC000459930122 560720816 /nfs/dbraw/zinc/72/08/16/560720816.db2.gz SHGHXZAIPQMHLP-NRFANRHFSA-N 1 0 370.497 2.097 20 30 FEEDRO CN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000459940658 560721841 /nfs/dbraw/zinc/72/18/41/560721841.db2.gz RAKVBRMKSAYWAL-UHFFFAOYSA-N 1 0 370.497 2.097 20 30 FEEDRO C=C(C)Cn1c(CC2CC2)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC000460380417 560742648 /nfs/dbraw/zinc/74/26/48/560742648.db2.gz NFNHYOXFYLMZIE-INIZCTEOSA-N 1 0 359.518 2.496 20 30 FEEDRO C=C(C)Cn1c(CC(C)C)nnc1N1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000460555991 560746031 /nfs/dbraw/zinc/74/60/31/560746031.db2.gz GTDJXLKNGFNRON-GOSISDBHSA-N 1 0 360.550 2.269 20 30 FEEDRO C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C)C[N@@H+](CC)CCC)cc1 ZINC000461544826 560775059 /nfs/dbraw/zinc/77/50/59/560775059.db2.gz QYWWOOFHHATGSJ-HNNXBMFYSA-N 1 0 367.515 2.001 20 30 FEEDRO N#C[C@@H]1CCC[C@@H]1NC(=O)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000461767815 560782433 /nfs/dbraw/zinc/78/24/33/560782433.db2.gz BRYJNYGHNNMZFQ-WMZOPIPTSA-N 1 0 354.454 2.072 20 30 FEEDRO CCCC[N@@H+]1CCCC[C@H]1CNS(=O)(=O)c1ccc(C#N)cc1OC ZINC000463680255 560821005 /nfs/dbraw/zinc/82/10/05/560821005.db2.gz WIDOOZDRPQUWKP-INIZCTEOSA-N 1 0 365.499 2.500 20 30 FEEDRO COC(=O)COc1ccc(C[NH2+]CCc2cccc(C#N)c2)cc1[N+](=O)[O-] ZINC000466426663 560886824 /nfs/dbraw/zinc/88/68/24/560886824.db2.gz WHERHEYAAWETST-UHFFFAOYSA-N 1 0 369.377 2.351 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)CN1CCc2ccccc2C1=O)C(C)C ZINC000468505198 560931676 /nfs/dbraw/zinc/93/16/76/560931676.db2.gz DGOWXNYEWXIVIT-FQEVSTJZSA-N 1 0 369.509 2.500 20 30 FEEDRO COc1cc([C@H](C#N)NC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)cc(OC)c1OC ZINC000468945244 560942991 /nfs/dbraw/zinc/94/29/91/560942991.db2.gz ISYHYXBCYLKTOF-GUTXKFCHSA-N 1 0 361.442 2.266 20 30 FEEDRO C[C@H](CNC(=O)c1cn(CCCC#N)c2ccccc12)N1CC[NH+](C)CC1 ZINC000469138842 560948181 /nfs/dbraw/zinc/94/81/81/560948181.db2.gz YWXUHYPTLRHGNR-QGZVFWFLSA-N 1 0 367.497 2.311 20 30 FEEDRO C=C[C@](C)(O)CC(=O)N[C@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1 ZINC000469628179 560960121 /nfs/dbraw/zinc/96/01/21/560960121.db2.gz VKQPCWQYCUQUGX-QRWLVFNGSA-N 1 0 363.477 2.472 20 30 FEEDRO CCN(C[C@H]1CC[N@@H+]([C@H](C)C(=O)NC2(C#N)CCC2)C1)CC(F)(F)F ZINC000469720587 560962755 /nfs/dbraw/zinc/96/27/55/560962755.db2.gz IVZJCQGTWMJEEK-ZIAGYGMSSA-N 1 0 360.424 2.143 20 30 FEEDRO COC[C@](C)(CCO)[NH2+]CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1 ZINC000470218026 560976966 /nfs/dbraw/zinc/97/69/66/560976966.db2.gz BUDXOYDKQLTZRT-SFHVURJKSA-N 1 0 367.877 2.272 20 30 FEEDRO C=CCN1C(=O)c2ccc(C(=O)N(CCC)CCC[NH+](C)C)cc2C1=O ZINC000470675793 560987267 /nfs/dbraw/zinc/98/72/67/560987267.db2.gz UPEDMFUVOWFUOS-UHFFFAOYSA-N 1 0 357.454 2.273 20 30 FEEDRO COc1ccc(C[N@H+](C)C[C@@H]2C[C@H](F)CN2Cc2ncccn2)cc1C#N ZINC000470805422 560989885 /nfs/dbraw/zinc/98/98/85/560989885.db2.gz YRFSWQCCNMSUPA-ROUUACIJSA-N 1 0 369.444 2.401 20 30 FEEDRO CC[NH+](CC)[C@H](C)CNC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000472109083 561018375 /nfs/dbraw/zinc/01/83/75/561018375.db2.gz VWPXYBIXANLDIB-QAPCUYQASA-N 1 0 371.485 2.083 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1C[C@@H](C)O[C@]2(CCOC2)C1)C(C)C ZINC000474062687 561064728 /nfs/dbraw/zinc/06/47/28/561064728.db2.gz WPYGBEIOVNULDY-QWFCFKBJSA-N 1 0 365.518 2.274 20 30 FEEDRO C=C[C@@](C)(CCOC)C(=O)N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000474235417 561069116 /nfs/dbraw/zinc/06/91/16/561069116.db2.gz VTKDURUUEVIMEG-FQEVSTJZSA-N 1 0 351.535 2.232 20 30 FEEDRO COC1CC[NH+](C(C)(C)CNS(=O)(=O)CC2(C#N)CCCCC2)CC1 ZINC000475791725 561105383 /nfs/dbraw/zinc/10/53/83/561105383.db2.gz AMNIOUFPXQEQLJ-UHFFFAOYSA-N 1 0 371.547 2.269 20 30 FEEDRO CC[NH+](CC)CCO[C@H]1CCN(S(=O)(=O)CC2(C#N)CCCCC2)C1 ZINC000476341057 561117063 /nfs/dbraw/zinc/11/70/63/561117063.db2.gz VFYZNTMZJUMGQU-KRWDZBQOSA-N 1 0 371.547 2.223 20 30 FEEDRO N#Cc1ccccc1N1CCN(C(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)CC1 ZINC000528283718 562320534 /nfs/dbraw/zinc/32/05/34/562320534.db2.gz CQEKKPUZAVHYDW-LJQANCHMSA-N 1 0 367.497 2.407 20 30 FEEDRO N#Cc1ccccc1OC[C@@H](O)CN1CC[NH+](CCc2cccs2)CC1 ZINC000528359915 562324716 /nfs/dbraw/zinc/32/47/16/562324716.db2.gz TYZGZFIWQBHDLT-SFHVURJKSA-N 1 0 371.506 2.220 20 30 FEEDRO CC(C)(C)[C@H]1CC[N@H+](CC#CCN2C(=O)c3ccccc3C2=O)C[C@@H]1O ZINC000528441364 562329477 /nfs/dbraw/zinc/32/94/77/562329477.db2.gz UOLLHLDDFLOCRB-ROUUACIJSA-N 1 0 354.450 2.015 20 30 FEEDRO COCC[C@H]1CCCC[N@H+](CC#CCN2C(=O)c3ccccc3C2=O)C1 ZINC000528454115 562330296 /nfs/dbraw/zinc/33/02/96/562330296.db2.gz SRIQTADURAZQMN-QGZVFWFLSA-N 1 0 354.450 2.425 20 30 FEEDRO N#Cc1ccccc1NC(=O)CC[N@H+]1CC2(CCOCC2)CC[C@H]1CO ZINC000528642084 562339956 /nfs/dbraw/zinc/33/99/56/562339956.db2.gz UREQHXNDWLGJSD-KRWDZBQOSA-N 1 0 357.454 2.140 20 30 FEEDRO N#Cc1cc(NC(=O)NC2(C[NH3+])CCOCC2)ccc1OCC(F)(F)F ZINC000528671214 562341042 /nfs/dbraw/zinc/34/10/42/562341042.db2.gz UVFXFIWQHVYVDC-UHFFFAOYSA-N 1 0 372.347 2.129 20 30 FEEDRO N#Cc1ccc(Oc2cccc(NC(=O)NC[C@H]3COCC[NH2+]3)c2)cc1 ZINC000528676888 562341295 /nfs/dbraw/zinc/34/12/95/562341295.db2.gz AMXCUXYXZBZDQP-INIZCTEOSA-N 1 0 352.394 2.460 20 30 FEEDRO C=CCN1CC[C@H]([NH+]2CCC(Cc3nc(C4CCOCC4)no3)CC2)C1=O ZINC000528714258 562343329 /nfs/dbraw/zinc/34/33/29/562343329.db2.gz FFYOVRYZJWXSQJ-KRWDZBQOSA-N 1 0 374.485 2.005 20 30 FEEDRO CCC(C#N)(CC)C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000528796660 562348316 /nfs/dbraw/zinc/34/83/16/562348316.db2.gz GKICZFPDTXWZHY-UHFFFAOYSA-N 1 0 350.507 2.059 20 30 FEEDRO CC(C)[C@@H]1CN(C(=O)[C@H](C)n2cnc(C#N)n2)CC[N@@H+]1Cc1ccccc1 ZINC000529806194 562386237 /nfs/dbraw/zinc/38/62/37/562386237.db2.gz ZPFQLSDEQKDNCR-WMZOPIPTSA-N 1 0 366.469 2.080 20 30 FEEDRO N#Cc1ccccc1OC[C@H](O)C[NH2+][C@H]1CCCN(c2ccccc2)C1=O ZINC000530230184 562403047 /nfs/dbraw/zinc/40/30/47/562403047.db2.gz FDHFHJFTGCHTQD-MOPGFXCFSA-N 1 0 365.433 2.083 20 30 FEEDRO N#Cc1ccccc1OC[C@@H](O)C[NH2+][C@H]1CCN(c2ncccc2Cl)C1 ZINC000530230928 562403077 /nfs/dbraw/zinc/40/30/77/562403077.db2.gz DSAFUTNPMIGZGX-HOTGVXAUSA-N 1 0 372.856 2.215 20 30 FEEDRO CCOC(=O)CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)Cc1cccc(C#N)c1 ZINC000530668575 562419966 /nfs/dbraw/zinc/41/99/66/562419966.db2.gz CHLBLRPCGAUFEL-LJQANCHMSA-N 1 0 371.481 2.367 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1ccc(=O)n(-c2cccc(F)c2)c1 ZINC000530721069 562421986 /nfs/dbraw/zinc/42/19/86/562421986.db2.gz CGWXICZOJHWFSB-UHFFFAOYSA-N 1 0 370.428 2.284 20 30 FEEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+](C)C1CCOCC1 ZINC000530866620 562426659 /nfs/dbraw/zinc/42/66/59/562426659.db2.gz VKQCJYYYJZTKNB-UHFFFAOYSA-N 1 0 362.474 2.062 20 30 FEEDRO CCC[N@H+](C)CC(=O)NCCCc1nn(-c2ccc(C)cc2)c(N)c1C#N ZINC000530983821 562430711 /nfs/dbraw/zinc/43/07/11/562430711.db2.gz RHEBHBHTYOZLDF-UHFFFAOYSA-N 1 0 368.485 2.025 20 30 FEEDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)C1 ZINC000531246184 562439387 /nfs/dbraw/zinc/43/93/87/562439387.db2.gz KCIKTGRAKAXOTJ-QGZVFWFLSA-N 1 0 373.476 2.259 20 30 FEEDRO CC(=O)Nc1cc(C(=O)NC2(C#N)CC[NH+](C)CC2)cc(C(F)(F)F)c1 ZINC000532362935 562475231 /nfs/dbraw/zinc/47/52/31/562475231.db2.gz LXGOQGVIMLDZOF-UHFFFAOYSA-N 1 0 368.359 2.382 20 30 FEEDRO C[NH+]1CCC(C#N)(NC(=O)c2cccc(COC3CCOCC3)c2)CC1 ZINC000532656934 562484783 /nfs/dbraw/zinc/48/47/83/562484783.db2.gz FQNVEAJLOZHVKF-UHFFFAOYSA-N 1 0 357.454 2.100 20 30 FEEDRO CC(C)[NH+]1CCC(N2CCN(C(=O)Cc3cccc(C#N)c3)CC2)CC1 ZINC000533226694 562502271 /nfs/dbraw/zinc/50/22/71/562502271.db2.gz BPURQGHINVCXAE-UHFFFAOYSA-N 1 0 354.498 2.118 20 30 FEEDRO C[C@H]([NH2+]CC(=O)NCc1cccc(C#N)c1)c1ccc([S@](C)=O)cc1 ZINC000541122202 562603826 /nfs/dbraw/zinc/60/38/26/562603826.db2.gz CQCIHHNTQSNKLT-SXBQZSJRSA-N 1 0 355.463 2.263 20 30 FEEDRO CN(C)c1nccc(C[NH2+][C@H]2CCCN(c3ccc(C#N)cc3F)C2)n1 ZINC000541164206 562604790 /nfs/dbraw/zinc/60/47/90/562604790.db2.gz ZWYHJINBRFWFNG-INIZCTEOSA-N 1 0 354.433 2.312 20 30 FEEDRO CC[NH+](CC)[C@@H](CNC(=O)C(=O)Nc1ccc(C#N)cc1OC)CC(C)C ZINC000546005540 562632607 /nfs/dbraw/zinc/63/26/07/562632607.db2.gz PANBMKLJFRTHHT-MRXNPFEDSA-N 1 0 374.485 2.378 20 30 FEEDRO CC(C)[N@H+](C)CCNC(=O)C(=O)Nc1scc(C(C)(C)C)c1C#N ZINC000555939897 674381952 /nfs/dbraw/zinc/38/19/52/674381952.db2.gz DAOQHNFJYLCOMO-UHFFFAOYSA-N 1 0 350.488 2.312 20 30 FEEDRO CC[NH+](CC)[C@H](CNC(=O)C(=O)N1CCC(C#N)CC1)c1ccsc1 ZINC000556059393 674386544 /nfs/dbraw/zinc/38/65/44/674386544.db2.gz ZGHKJFQRRKFXGW-MRXNPFEDSA-N 1 0 362.499 2.009 20 30 FEEDRO CN(C(=O)C(=O)Nc1ccc(OCCC[NH+](C)C)cc1)[C@@H]1CCC[C@H]1C#N ZINC000602078572 567918208 /nfs/dbraw/zinc/91/82/08/567918208.db2.gz WYEFKLQAJUCDTL-MAUKXSAKSA-N 1 0 372.469 2.106 20 30 FEEDRO CN(C(=O)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)[C@H]1CCC[C@H]1C#N ZINC000602062237 567922831 /nfs/dbraw/zinc/92/28/31/567922831.db2.gz JVCKLDXBIORJKR-JCGIZDLHSA-N 1 0 354.454 2.325 20 30 FEEDRO C[NH+](C)CC1(C(=O)N2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)CC1 ZINC000602143203 567935850 /nfs/dbraw/zinc/93/58/50/567935850.db2.gz JSJFDFFMHJZIEH-QGZVFWFLSA-N 1 0 360.889 2.391 20 30 FEEDRO C[C@@H](Oc1ccccc1C#N)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000584656341 567940341 /nfs/dbraw/zinc/94/03/41/567940341.db2.gz UOVQXPWRYWWNOO-JEBQAFNWSA-N 1 0 353.397 2.418 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCc3nc(C4CC4)ncc3C2)CC1 ZINC000636741589 567997043 /nfs/dbraw/zinc/99/70/43/567997043.db2.gz GVNSJRGEDXRTBN-UHFFFAOYSA-N 1 0 355.486 2.462 20 30 FEEDRO Cc1cc(C)c(CCNC(=O)CN2C[C@H](C)N(CC#N)[C@@H](C)C2)c(C)c1 ZINC000602867149 568008442 /nfs/dbraw/zinc/00/84/42/568008442.db2.gz XNPXMNHLEJVYRY-OALUTQOASA-N 1 0 356.514 2.189 20 30 FEEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]Cc1cccc(S(=O)(=O)N(C)C)c1 ZINC000602673546 568008490 /nfs/dbraw/zinc/00/84/90/568008490.db2.gz DBWIVJIGFSZKKC-HNNXBMFYSA-N 1 0 365.499 2.125 20 30 FEEDRO C[C@H]1CN(C(=O)Nc2ccc(OCCC[NH+](C)C)cc2)C[C@H](C)N1CC#N ZINC000602831872 568047957 /nfs/dbraw/zinc/04/79/57/568047957.db2.gz KMXYROPXKQKNMS-IRXDYDNUSA-N 1 0 373.501 2.467 20 30 FEEDRO N#CCCN(C(=O)Cn1cc(CC[NH+]2CCCCC2)nn1)c1ccccc1 ZINC000603163695 568069819 /nfs/dbraw/zinc/06/98/19/568069819.db2.gz CLOHZLTYJXZPGM-UHFFFAOYSA-N 1 0 366.469 2.253 20 30 FEEDRO Cc1cc(C)cc(N(CCC#N)C(=O)Cn2cc(C[NH2+]C3CC3)nn2)c1 ZINC000603187374 568071699 /nfs/dbraw/zinc/07/16/99/568071699.db2.gz RYYDHEQJTONVCN-UHFFFAOYSA-N 1 0 352.442 2.094 20 30 FEEDRO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)n1cc(C2CC[NH2+]CC2)nn1 ZINC000603192808 568072239 /nfs/dbraw/zinc/07/22/39/568072239.db2.gz ARTGUSGRDGFNFM-AWEZNQCLSA-N 1 0 370.432 2.392 20 30 FEEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)Cn1cc(CC[NH+](C)C)nn1 ZINC000603214788 568076625 /nfs/dbraw/zinc/07/66/25/568076625.db2.gz DVIIWBCUVBPPAA-AWEZNQCLSA-N 1 0 372.498 2.273 20 30 FEEDRO C[C@H](NC(=O)NC1CCC(Oc2ncccc2C#N)CC1)[C@H]1CCC[NH2+]C1 ZINC000568731404 568144547 /nfs/dbraw/zinc/14/45/47/568144547.db2.gz PZADBHFQYFWVLS-WSDZMALLSA-N 1 0 371.485 2.331 20 30 FEEDRO N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@H](c3ccncn3)C2)cc1 ZINC000603842985 568155313 /nfs/dbraw/zinc/15/53/13/568155313.db2.gz VWYHPYQKLQWPHT-ROUUACIJSA-N 1 0 352.438 2.162 20 30 FEEDRO CN1CC[C@H]([NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000569037149 568277408 /nfs/dbraw/zinc/27/74/08/568277408.db2.gz JCIBYRJQWUSWRH-OTWHNJEPSA-N 1 0 370.403 2.398 20 30 FEEDRO COc1cccc([C@H](C[NH2+]Cc2cnc3c(C#N)cnn3c2)N(C)C)c1 ZINC000569945504 568444035 /nfs/dbraw/zinc/44/40/35/568444035.db2.gz QROGCGHVKNJVHT-SFHVURJKSA-N 1 0 350.426 2.002 20 30 FEEDRO C[C@H]([NH2+][C@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O)c1ccc(C#N)cc1 ZINC000736132422 598960630 /nfs/dbraw/zinc/96/06/30/598960630.db2.gz NTXDUDUKDDLQHL-UGSOOPFHSA-N 1 0 373.420 2.194 20 30 FEEDRO C[C@H]([NH2+]CCC(=O)Nc1cccc(C#N)c1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820420482 599302841 /nfs/dbraw/zinc/30/28/41/599302841.db2.gz RQOCBAVPTLQQIM-ZDUSSCGKSA-N 1 0 361.409 2.418 20 30 FEEDRO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCC[C@H](CNC(=O)C(F)(F)F)C1 ZINC000810070660 674529538 /nfs/dbraw/zinc/52/95/38/674529538.db2.gz RQZJAVLZAGBMFH-UONOGXRCSA-N 1 0 363.424 2.190 20 30 FEEDRO COc1cc(C#N)ccc1S(=O)(=O)NCCCCC[NH+]1CCCC1 ZINC000559141036 674529769 /nfs/dbraw/zinc/52/97/69/674529769.db2.gz MHORFMBJVMNTBZ-UHFFFAOYSA-N 1 0 351.472 2.111 20 30 FEEDRO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)OC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000811446038 674604218 /nfs/dbraw/zinc/60/42/18/674604218.db2.gz RXAKWCQYIHJHHO-MORSLUCNSA-N 1 0 355.454 2.185 20 30 FEEDRO C[C@H](C[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)N(C)c1ccccc1 ZINC000562986557 674831066 /nfs/dbraw/zinc/83/10/66/674831066.db2.gz ZEBJZPBZHPPVLU-MRXNPFEDSA-N 1 0 357.479 2.446 20 30 FEEDRO N#CCCNC(=O)C[N@H+]1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC000814677394 674874668 /nfs/dbraw/zinc/87/46/68/674874668.db2.gz VSJIRERBSRRSAJ-CQSZACIVSA-N 1 0 350.260 2.343 20 30 FEEDRO C[C@H](Cc1ccc(Br)cc1)[NH2+]C[C@H](O)CN(C)CCC#N ZINC000563347358 674875503 /nfs/dbraw/zinc/87/55/03/674875503.db2.gz PGPVJBCKYHIRRI-CJNGLKHVSA-N 1 0 354.292 2.176 20 30 FEEDRO C#CCNC(=O)CC[NH+]1CCN(CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000815078303 674912854 /nfs/dbraw/zinc/91/28/54/674912854.db2.gz WBOQTRGXRXEIMK-UHFFFAOYSA-N 1 0 368.308 2.293 20 30 FEEDRO C#CC[N@@H+](C)CCCNS(=O)(=O)c1ccc(OC)c(Cl)c1Cl ZINC000815082620 674913849 /nfs/dbraw/zinc/91/38/49/674913849.db2.gz BZIZRECLQFXIQI-UHFFFAOYSA-N 1 0 365.282 2.235 20 30 FEEDRO C#CC[N@H+](C)CCCNS(=O)(=O)/C=C/c1ccc(Br)cc1 ZINC000815082317 674913936 /nfs/dbraw/zinc/91/39/36/674913936.db2.gz KOADGSMYZRSOSQ-UKTHLTGXSA-N 1 0 371.300 2.294 20 30 FEEDRO C#CC[N@H+](C)CCCNS(=O)(=O)c1ccc(OC(F)F)c(Cl)c1 ZINC000815083209 674914482 /nfs/dbraw/zinc/91/44/82/674914482.db2.gz QRUKTTNJTDNCLN-UHFFFAOYSA-N 1 0 366.817 2.175 20 30 FEEDRO C#CCNC(=O)CC[N@@H+](C)[C@@H]1CCOc2ccc(Br)cc21 ZINC000815099892 674917923 /nfs/dbraw/zinc/91/79/23/674917923.db2.gz OCEPRFNCFQKKJQ-CQSZACIVSA-N 1 0 351.244 2.344 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[C@H](C[NH2+]C[C@H]2CCOC2)CC1 ZINC001048616336 675012279 /nfs/dbraw/zinc/01/22/79/675012279.db2.gz KKDAHSCVLLKFNS-NNIGNNQHSA-N 1 0 350.503 2.126 20 30 FEEDRO C=CCn1c(C)nnc1SCC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000025320223 670061306 /nfs/dbraw/zinc/06/13/06/670061306.db2.gz ZADUTMRIXZQOKW-INIZCTEOSA-N 1 0 359.499 2.284 20 30 FEEDRO CCc1cc[n+](C(C(=O)c2ccc3c(c2)OCCO3)C(=S)NC)cc1 ZINC000055009403 670345441 /nfs/dbraw/zinc/34/54/41/670345441.db2.gz ODBHVVSZWKEZGK-UHFFFAOYSA-O 1 0 357.455 2.466 20 30 FEEDRO C=C(Br)CNC(=O)c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000070881653 670493146 /nfs/dbraw/zinc/49/31/46/670493146.db2.gz POLMEWHMZSRQHK-UHFFFAOYSA-N 1 0 352.276 2.072 20 30 FEEDRO C[NH+]=C(NCc1cnc(C)s1)N1CCN(c2cccc(OC)c2)CC1 ZINC000073757694 670506753 /nfs/dbraw/zinc/50/67/53/670506753.db2.gz YZKSUWRWHVIXPP-UHFFFAOYSA-N 1 0 359.499 2.358 20 30 FEEDRO C#CCCCC[NH2+][C@H](C)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000090399021 670711920 /nfs/dbraw/zinc/71/19/20/670711920.db2.gz FMOISFJHVYRQQC-MRXNPFEDSA-N 1 0 350.484 2.162 20 30 FEEDRO C[C@@H]1CC[N@H+](CC(=O)N2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)C1 ZINC000570739120 670761796 /nfs/dbraw/zinc/76/17/96/670761796.db2.gz QWCYZKBDYGTJES-CRAIPNDOSA-N 1 0 360.889 2.391 20 30 FEEDRO C[C@@H](NC(=O)CON=C(N)C[NH+]1CCCCCC1)c1ccc(F)cc1 ZINC000106437794 670812364 /nfs/dbraw/zinc/81/23/64/670812364.db2.gz KJNVLOINBQXZSY-CQSZACIVSA-N 1 0 350.438 2.168 20 30 FEEDRO C[NH+]=C(NC[C@H](c1cccs1)N1CCOCC1)N1CCC[C@H](C)C1 ZINC000113915929 670888728 /nfs/dbraw/zinc/88/87/28/670888728.db2.gz ROKQBZFQCBCFKA-JKSUJKDBSA-N 1 0 350.532 2.429 20 30 FEEDRO C=CCC[C@H](CO)[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000571921047 670940780 /nfs/dbraw/zinc/94/07/80/670940780.db2.gz WSISZKKVIXBLKC-ZIAGYGMSSA-N 1 0 362.239 2.245 20 30 FEEDRO C#CC[N@H+]1CCC[C@@H]1COC(=O)[C@H](NC(=O)OC(C)(C)C)C1CCC1 ZINC000817716604 675164570 /nfs/dbraw/zinc/16/45/70/675164570.db2.gz OWBZQUWQVKNCRG-HZPDHXFCSA-N 1 0 350.459 2.321 20 30 FEEDRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1c1cc(Br)c(C#N)cc1F ZINC000574770943 671275933 /nfs/dbraw/zinc/27/59/33/671275933.db2.gz NCCTUZSVHDNRPE-GHMZBOCLSA-N 1 0 356.239 2.351 20 30 FEEDRO COc1ccc(Cl)cc1NCC(=O)N(CCC#N)CCC[NH+](C)C ZINC000609167348 675912714 /nfs/dbraw/zinc/91/27/14/675912714.db2.gz SSFLFHPRBQUZNQ-UHFFFAOYSA-N 1 0 352.866 2.454 20 30 FEEDRO N#Cc1cc(F)ccc1CS(=O)(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000580037612 671777832 /nfs/dbraw/zinc/77/78/32/671777832.db2.gz BFXXZSPPMDBIFZ-SFHVURJKSA-N 1 0 365.474 2.477 20 30 FEEDRO N#CCCC[C@H]([NH3+])C(=O)Nc1cc(-c2cccc(Cl)c2)nn1CCO ZINC000581487408 671902804 /nfs/dbraw/zinc/90/28/04/671902804.db2.gz MGMGTXNOKXOUMH-AWEZNQCLSA-N 1 0 361.833 2.155 20 30 FEEDRO COC1CC[NH+](C2(CNS(=O)(=O)CC3(C#N)CCC3)CCCC2)CC1 ZINC000582957375 672049633 /nfs/dbraw/zinc/04/96/33/672049633.db2.gz SWFIBHIAPBLZPR-UHFFFAOYSA-N 1 0 369.531 2.023 20 30 FEEDRO C=CCn1c(=S)n(CN2CC[NH+](C3CC3)CC2)nc1-c1cccnc1 ZINC000129106374 672057203 /nfs/dbraw/zinc/05/72/03/672057203.db2.gz RYJAWVZVLIQALT-UHFFFAOYSA-N 1 0 356.499 2.400 20 30 FEEDRO CCOCCC1(CNC(=[NH2+])N2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000130622362 672077827 /nfs/dbraw/zinc/07/78/27/672077827.db2.gz GKUSXQBIDVTRGP-UHFFFAOYSA-N 1 0 354.495 2.061 20 30 FEEDRO C[C@@H]1C[C@@H]1[N@@H+]1CCN([C@@H]2CCN(c3sccc3C#N)C2=O)C[C@@H](C)C1 ZINC000583358342 672087203 /nfs/dbraw/zinc/08/72/03/672087203.db2.gz RVHDSUPDPQOKJF-SRABZTEZSA-N 1 0 358.511 2.387 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N(C)Cc2nc([C@@H](C)SCC)no2)CC1 ZINC000135486626 672133729 /nfs/dbraw/zinc/13/37/29/672133729.db2.gz DKJYFESCRYUAEX-CYBMUJFWSA-N 1 0 350.488 2.187 20 30 FEEDRO N#Cc1ccc(CN2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c(OC(F)F)c1 ZINC000610613782 675984287 /nfs/dbraw/zinc/98/42/87/675984287.db2.gz MAEQDXZZSGGVKR-HZPDHXFCSA-N 1 0 351.397 2.191 20 30 FEEDRO Cc1ccc(NC(=[NH2+])NCCN(C)S(=O)(=O)c2cccs2)cc1C ZINC000151406640 672162108 /nfs/dbraw/zinc/16/21/08/672162108.db2.gz VZZBMVOSMJLFPC-UHFFFAOYSA-N 1 0 366.512 2.412 20 30 FEEDRO CCc1ccc(NC(=[NH2+])NCCN(C)S(=O)(=O)c2cccs2)cc1 ZINC000151405866 672162325 /nfs/dbraw/zinc/16/23/25/672162325.db2.gz ZOAIGFROZQPGIN-UHFFFAOYSA-N 1 0 366.512 2.358 20 30 FEEDRO CC[NH+]=C(NCCO[C@@H]1CCCC[C@H]1C)N1CCS(=O)(=O)C(C)(C)C1 ZINC000158642571 672271174 /nfs/dbraw/zinc/27/11/74/672271174.db2.gz RVWQSRMAVZAPOM-HZPDHXFCSA-N 1 0 373.563 2.056 20 30 FEEDRO CC[NH+]=C(NCc1c(C)nn(C)c1C)N1CCN(c2cccs2)CC1 ZINC000158909934 672274430 /nfs/dbraw/zinc/27/44/30/672274430.db2.gz JXNMAJCZMSUJOA-UHFFFAOYSA-N 1 0 360.531 2.386 20 30 FEEDRO C[NH+]=C(NCCc1nccs1)N[C@H]1CCN(c2ncccc2Cl)C1 ZINC000158943061 672274794 /nfs/dbraw/zinc/27/47/94/672274794.db2.gz VSDSUZAVONGDFV-LBPRGKRZSA-N 1 0 364.906 2.178 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N2CCC(CCC(=O)OCC)CC2)CC1 ZINC000610984714 676008723 /nfs/dbraw/zinc/00/87/23/676008723.db2.gz MMVUPAHNQAVVLA-UHFFFAOYSA-N 1 0 351.491 2.402 20 30 FEEDRO C[C@H](CNC(=O)c1c(Cl)cc(C#N)cc1Cl)N1CC[NH+](C)CC1 ZINC000611094363 676016886 /nfs/dbraw/zinc/01/68/86/676016886.db2.gz HSNICRZQEYJCDN-LLVKDONJSA-N 1 0 355.269 2.231 20 30 FEEDRO C[C@](O)(CNC(=[NH2+])NCc1ccc(OC(F)(F)F)cc1)c1ccco1 ZINC000178584184 672392901 /nfs/dbraw/zinc/39/29/01/672392901.db2.gz BQNAOGYYXLSVQA-HNNXBMFYSA-N 1 0 357.332 2.490 20 30 FEEDRO N#Cc1ccc(F)c(CS(=O)(=O)N2CCC[C@H]2C[NH+]2CCCC2)c1 ZINC000611232397 676026953 /nfs/dbraw/zinc/02/69/53/676026953.db2.gz VITJYMPWWULGNT-INIZCTEOSA-N 1 0 351.447 2.087 20 30 FEEDRO C=CCNc1nnc(SC[C@H](O)C[N@@H+](C)Cc2ccccc2)s1 ZINC000588690328 672472800 /nfs/dbraw/zinc/47/28/00/672472800.db2.gz WMICMSHTAKAQDA-CQSZACIVSA-N 1 0 350.513 2.721 20 30 FEEDRO C[N@@H+]1C[C@H]2CCN(CC(=O)Nc3sc4c(c3C#N)CCCCC4)[C@H]2C1 ZINC000590012739 672554676 /nfs/dbraw/zinc/55/46/76/672554676.db2.gz XDOBZISKBHEFMJ-CJNGLKHVSA-N 1 0 358.511 2.463 20 30 FEEDRO N#C[C@@H](c1cccs1)N1CCN(C(=O)C[N@H+]2CC[C@@H](C(F)F)C2)CC1 ZINC000611432662 676036828 /nfs/dbraw/zinc/03/68/28/676036828.db2.gz JRSHRXLJMNDPQL-KGLIPLIRSA-N 1 0 368.453 2.044 20 30 FEEDRO COC1CC[NH+](CCNC(=O)c2ccc(Br)cc2C#N)CC1 ZINC000590677503 672600781 /nfs/dbraw/zinc/60/07/81/672600781.db2.gz MIBQBWYZGPXBJE-UHFFFAOYSA-N 1 0 366.259 2.161 20 30 FEEDRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000591306570 672667660 /nfs/dbraw/zinc/66/76/60/672667660.db2.gz MNDDJGJTOHNEDV-JQWIXIFHSA-N 1 0 355.211 2.484 20 30 FEEDRO C[C@@H]([NH2+]C[C@@H](O)CN(C)CCC#N)c1ccc(F)c(Br)c1 ZINC000591735170 672706325 /nfs/dbraw/zinc/70/63/25/672706325.db2.gz WQARFJYMIGAVRC-DGCLKSJQSA-N 1 0 358.255 2.445 20 30 FEEDRO CN(CCC#N)C[C@H](O)C[NH2+]CCc1ccc(Br)cc1Cl ZINC000591767846 672709460 /nfs/dbraw/zinc/70/94/60/672709460.db2.gz SILXYVASZWHBJA-CQSZACIVSA-N 1 0 374.710 2.441 20 30 FEEDRO C=C[C@](C)(CCOC)C(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000682157864 672738631 /nfs/dbraw/zinc/73/86/31/672738631.db2.gz SNLIXNZMGFLJJE-QWFCFKBJSA-N 1 0 351.535 2.232 20 30 FEEDRO COc1cc(NC(=O)CC[N@@H+]2CC[C@@](O)(CC#N)C2)c(OC)cc1Cl ZINC000592152517 672764802 /nfs/dbraw/zinc/76/48/02/672764802.db2.gz YNZXAVMCEQZDEJ-KRWDZBQOSA-N 1 0 367.833 2.036 20 30 FEEDRO C[NH2+][C@H](C)Cc1noc([C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)n1 ZINC000592355537 672791349 /nfs/dbraw/zinc/79/13/49/672791349.db2.gz REJQASAVETXWKT-PWSUYJOCSA-N 1 0 359.817 2.266 20 30 FEEDRO CC[C@H]1CN(S(=O)(=O)c2cccc(Br)c2C#N)CC[C@@H]1[NH3+] ZINC000592382166 672795251 /nfs/dbraw/zinc/79/52/51/672795251.db2.gz KOQSRLUGCWQQBP-GWCFXTLKSA-N 1 0 372.288 2.069 20 30 FEEDRO C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)N1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000245620609 672822211 /nfs/dbraw/zinc/82/22/11/672822211.db2.gz AVQZNMWDYQQQCW-BARDWOONSA-N 1 0 351.491 2.039 20 30 FEEDRO C#CCNC(NCCc1ccc(I)s1)=[NH+]CC ZINC000262614871 672918398 /nfs/dbraw/zinc/91/83/98/672918398.db2.gz COENGCWRIGLZDO-UHFFFAOYSA-N 1 0 361.252 2.084 20 30 FEEDRO C[NH+]=C(NC[C@]1(C)CCOC1)N(C)Cc1cc(Br)cn1C ZINC000261656750 672900828 /nfs/dbraw/zinc/90/08/28/672900828.db2.gz APCRIWXLXSXBET-HNNXBMFYSA-N 1 0 357.296 2.221 20 30 FEEDRO CC[S@](=O)[C@@H]1CCC[C@H](NC(NCc2ccc3c(c2)COC3)=[NH+]C)C1 ZINC000261697187 672901682 /nfs/dbraw/zinc/90/16/82/672901682.db2.gz IWLAMQQWDLLHHT-ATLLOTDBSA-N 1 0 363.527 2.462 20 30 FEEDRO C[NH+]=C(NCCN1CCCS1(=O)=O)N1CCCC2(C1)CCCCCC2 ZINC000261748782 672902491 /nfs/dbraw/zinc/90/24/91/672902491.db2.gz LOWNSMOQRSQONY-UHFFFAOYSA-N 1 0 370.563 2.034 20 30 FEEDRO CC[C@H](C)NC(=[NH2+])NCc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1 ZINC000261888426 672904803 /nfs/dbraw/zinc/90/48/03/672904803.db2.gz SLWSHFOCPFUOFZ-CABCVRRESA-N 1 0 366.531 2.310 20 30 FEEDRO CCC1(CC)CCN(C(NC[C@]2(N3CCOCC3)CCSC2)=[NH+]C)C1 ZINC000261963967 672906637 /nfs/dbraw/zinc/90/66/37/672906637.db2.gz LBEOOEIYCPQVOX-LJQANCHMSA-N 1 0 368.591 2.282 20 30 FEEDRO [NH2+]=C(NC[C@@H](c1ccccc1Cl)N1CCOCC1)N1CCSCC1 ZINC000262006526 672907254 /nfs/dbraw/zinc/90/72/54/672907254.db2.gz RSQJFFCTQQVZPJ-INIZCTEOSA-N 1 0 368.934 2.077 20 30 FEEDRO CC(C)[C@@H]1CCC[C@H]([NH+]=C(NCC(=O)N(C)C)NC2CCOCC2)C1 ZINC000262332361 672913497 /nfs/dbraw/zinc/91/34/97/672913497.db2.gz VHXLVEKTVOWIGG-WBVHZDCISA-N 1 0 352.523 2.004 20 30 FEEDRO C[NH+]=C(N[C@@H]1C[C@](C)(OC)C1(C)C)N[C@@H]1CCC[C@H](C(=O)N(C)C)C1 ZINC000262371077 672914366 /nfs/dbraw/zinc/91/43/66/672914366.db2.gz IPWUCHJHMKMZNH-HRLGVUPISA-N 1 0 352.523 2.002 20 30 FEEDRO CN(C)[C@]1(CNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)CCSC1 ZINC000262421790 672915558 /nfs/dbraw/zinc/91/55/58/672915558.db2.gz BGFZRBZTSFQVGM-KRWDZBQOSA-N 1 0 350.488 2.012 20 30 FEEDRO [NH2+]=C(NCCOc1ncc(C(F)(F)F)cc1Cl)N1CCSCC1 ZINC000262519984 672917406 /nfs/dbraw/zinc/91/74/06/672917406.db2.gz HYLRNENZMJLFAJ-UHFFFAOYSA-N 1 0 368.812 2.496 20 30 FEEDRO Cc1nn(C)c(C)c1CNC(=[NH2+])N1CCN(c2ccc(Cl)cc2)CC1 ZINC000262541055 672917420 /nfs/dbraw/zinc/91/74/20/672917420.db2.gz RXIBNJZMVMPBFU-UHFFFAOYSA-N 1 0 360.893 2.327 20 30 FEEDRO Cc1cc(C)cc(NC(=[NH2+])NC[C@@H]2CCCC[C@H]2NS(C)(=O)=O)c1 ZINC000262661850 672918684 /nfs/dbraw/zinc/91/86/84/672918684.db2.gz NDICRPOKUBQLTP-GOEBONIOSA-N 1 0 352.504 2.138 20 30 FEEDRO C[NH+](C)[C@@H](CNC(=O)Cc1ccc(Br)cc1C#N)C1CC1 ZINC000593415726 672920532 /nfs/dbraw/zinc/92/05/32/672920532.db2.gz UTISSLIIKJIXTM-HNNXBMFYSA-N 1 0 350.260 2.320 20 30 FEEDRO CC[C@@H](C#N)C(=O)N1CCC(C(=O)NCC[NH+](C(C)C)C(C)C)CC1 ZINC000593421198 672920958 /nfs/dbraw/zinc/92/09/58/672920958.db2.gz UOAPWKWOCRINKJ-INIZCTEOSA-N 1 0 350.507 2.010 20 30 FEEDRO CCOCCC[N@@H+]1CC[C@H](NS(=O)(=O)c2ccsc2C#N)[C@@H](C)C1 ZINC000593546320 672939073 /nfs/dbraw/zinc/93/90/73/672939073.db2.gz JUFCTJCMUJICNP-KBPBESRZSA-N 1 0 371.528 2.035 20 30 FEEDRO C[C@H]1CCCN(C(=[NH2+])NCc2ccccc2S(=O)(=O)NC(C)(C)C)C1 ZINC000303880508 673018034 /nfs/dbraw/zinc/01/80/34/673018034.db2.gz KGXAISLROALIMA-AWEZNQCLSA-N 1 0 366.531 2.310 20 30 FEEDRO CO[C@@H](C(=O)NC1(C#N)CC[NH+](C)CC1)c1ccccc1Br ZINC000593998171 673019058 /nfs/dbraw/zinc/01/90/58/673019058.db2.gz VUSPJSRIMFKWOP-CQSZACIVSA-N 1 0 366.259 2.241 20 30 FEEDRO CCOCCCNC(=[NH2+])NC[C@@H](c1ccc(Cl)cc1)N1CCOCC1 ZINC000303986731 673019871 /nfs/dbraw/zinc/01/98/71/673019871.db2.gz UTPNQKNDJMQPJS-KRWDZBQOSA-N 1 0 368.909 2.044 20 30 FEEDRO N#Cc1ccc(Cl)c(NC(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)c1 ZINC000594325723 673058867 /nfs/dbraw/zinc/05/88/67/673058867.db2.gz ITEHOFJXXVESPS-HOCLYGCPSA-N 1 0 360.845 2.283 20 30 FEEDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCOc2cccc(F)c2C1 ZINC000328739802 673065969 /nfs/dbraw/zinc/06/59/69/673065969.db2.gz MUSBVVGWEDBWCT-AWEZNQCLSA-N 1 0 351.422 2.045 20 30 FEEDRO CO[C@H]1C[C@@H](C(=O)N[C@H]2CCN(c3cccc(Cl)c3)C2=O)N(C)C1 ZINC000328941812 673069952 /nfs/dbraw/zinc/06/99/52/673069952.db2.gz FKNRKFJAHQPKSD-KKUMJFAQSA-N 1 0 351.834 2.121 20 30 FEEDRO C[NH+](C)CC(C)(C)CNC(=S)N1CCN(c2ccccc2C#N)CC1 ZINC000727085069 673154930 /nfs/dbraw/zinc/15/49/30/673154930.db2.gz JKQDMKGLRVGLMM-UHFFFAOYSA-N 1 0 359.543 2.143 20 30 FEEDRO COc1ccc(C[NH2+][C@H]2CC[C@@H](C)S(=O)(=O)C2)cc1OCCCC#N ZINC000594973976 673181300 /nfs/dbraw/zinc/18/13/00/673181300.db2.gz IKRONJMSKYXEJA-ZBFHGGJFSA-N 1 0 366.483 2.433 20 30 FEEDRO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000595072219 673190909 /nfs/dbraw/zinc/19/09/09/673190909.db2.gz HCBKCOPXKFSPHA-LBPRGKRZSA-N 1 0 362.861 2.387 20 30 FEEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)NCC[C@H](C)[NH+](C)C ZINC000595125877 673198220 /nfs/dbraw/zinc/19/82/20/673198220.db2.gz RLUKAWSVPKLUSX-KBPBESRZSA-N 1 0 362.499 2.333 20 30 FEEDRO N#Cc1sccc1N1CCN(C(=O)NC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000595268988 673215553 /nfs/dbraw/zinc/21/55/53/673215553.db2.gz YAGKLYFHPMMIPA-OAHLLOKOSA-N 1 0 355.467 2.151 20 30 FEEDRO N#Cc1sccc1N1CCN(C(=O)N[C@@H](C[NH3+])C2CCCCC2)CC1 ZINC000595267098 673215602 /nfs/dbraw/zinc/21/56/02/673215602.db2.gz FXVNQIUZTYERPK-HNNXBMFYSA-N 1 0 361.515 2.359 20 30 FEEDRO C=CCNC(=S)C(C(=O)c1cc(C(=O)OC)co1)[n+]1ccc(C)cc1 ZINC000729667989 673243520 /nfs/dbraw/zinc/24/35/20/673243520.db2.gz ZTTALJFMPZZHMA-UHFFFAOYSA-O 1 0 359.427 2.377 20 30 FEEDRO CO[C@@H]1CCC[C@@H]([C@H](CO)[NH2+]CC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000595631684 673276229 /nfs/dbraw/zinc/27/62/29/673276229.db2.gz JWNAGLUBXQLBDE-VMGRFDJRSA-N 1 0 365.861 2.306 20 30 FEEDRO C[NH+](C)CCC[C@@H]1CN(CC(=O)Nc2ccc(C#N)c(Cl)c2)CCO1 ZINC000595905852 673337098 /nfs/dbraw/zinc/33/70/98/673337098.db2.gz HSWSSWHIPWHEBA-MRXNPFEDSA-N 1 0 364.877 2.193 20 30 FEEDRO N#Cc1sccc1N1CCN(C(=O)c2cccc3c2CC[NH2+]C3)CC1 ZINC000595961513 673344263 /nfs/dbraw/zinc/34/42/63/673344263.db2.gz QNWZIBMKLKMHJR-UHFFFAOYSA-N 1 0 352.463 2.228 20 30 FEEDRO C[NH+](C)CCCNC(=S)NN=C1C(=O)Nc2c1cc(Cl)cc2Cl ZINC000731928012 673348356 /nfs/dbraw/zinc/34/83/56/673348356.db2.gz AKWPDYWUWZIWQH-UHFFFAOYSA-N 1 0 374.297 2.065 20 30 FEEDRO N#Cc1nc(N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)sc1Cl ZINC000596136367 673362073 /nfs/dbraw/zinc/36/20/73/673362073.db2.gz SZXFTNPPPHOZPX-UONOGXRCSA-N 1 0 362.886 2.963 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)OCC(=O)Nc2ccc(F)cc2Cl)CC1 ZINC000735939454 673508486 /nfs/dbraw/zinc/50/84/86/673508486.db2.gz FZBFGIQZEYAYRO-UHFFFAOYSA-N 1 0 352.793 2.306 20 30 FEEDRO C[C@H](CCNC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)[NH+](C)C ZINC000597994070 673528114 /nfs/dbraw/zinc/52/81/14/673528114.db2.gz XQJSGRGCIKWQAX-TZMCWYRMSA-N 1 0 362.861 2.021 20 30 FEEDRO CC(C)[C@@H]1CN(C(=O)Cc2ccc(Br)cc2C#N)CC[NH2+]1 ZINC000598571123 673585002 /nfs/dbraw/zinc/58/50/02/673585002.db2.gz GNVPDOXPZGSXJI-HNNXBMFYSA-N 1 0 350.260 2.320 20 30 FEEDRO CC(C)(C#N)C[C@H](O)C[NH+]1CCN([C@@H](CO)c2ccc(Cl)cc2)CC1 ZINC000598592807 673587323 /nfs/dbraw/zinc/58/73/23/673587323.db2.gz NHOIWDILLGWUCD-ROUUACIJSA-N 1 0 365.905 2.292 20 30 FEEDRO CC(C)(C#N)C[C@@H](O)C[NH+]1CCC(NC(=O)NC2CCCCC2)CC1 ZINC000598596302 673587562 /nfs/dbraw/zinc/58/75/62/673587562.db2.gz ZQKOZGWRJUWGKC-QGZVFWFLSA-N 1 0 350.507 2.383 20 30 FEEDRO CC(C)(C#N)C[C@H](O)C[NH2+][C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000598724864 673603632 /nfs/dbraw/zinc/60/36/32/673603632.db2.gz RYWJBZQOOKPDMI-SWLSCSKDSA-N 1 0 353.825 2.475 20 30 FEEDRO CC(C)(C#N)C[C@H](O)C[NH2+][C@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 ZINC000598726638 673603767 /nfs/dbraw/zinc/60/37/67/673603767.db2.gz UAAJGOZGPCZFMQ-AAEUAGOBSA-N 1 0 353.825 2.475 20 30 FEEDRO N#Cc1ccc(CN2CCC([NH2+]C[C@@H]3CCCCS3(=O)=O)CC2)cc1 ZINC000543412194 673645530 /nfs/dbraw/zinc/64/55/30/673645530.db2.gz XFPVQXZRAJJFBF-IBGZPJMESA-N 1 0 361.511 2.080 20 30 FEEDRO C[C@](O)(C1CC[NH+](C[C@@H](O)CC2(C#N)CCOCC2)CC1)C(F)(F)F ZINC000599367001 673664631 /nfs/dbraw/zinc/66/46/31/673664631.db2.gz ZZHGFOPXNJOABE-GJZGRUSLSA-N 1 0 364.408 2.083 20 30 FEEDRO C[C@@H]1CC(=NNS(=O)(=O)c2ccc(Br)cc2)CC[N@@H+]1C ZINC000741451261 673687283 /nfs/dbraw/zinc/68/72/83/673687283.db2.gz FAMXROAQBWNWLY-SNVBAGLBSA-N 1 0 360.277 2.198 20 30 FEEDRO CN(CC(F)(F)F)C(=O)C[NH2+]C1(c2ccc(C#N)cc2)CCOCC1 ZINC000599630103 673699342 /nfs/dbraw/zinc/69/93/42/673699342.db2.gz HYUXJBCAKMUVLM-UHFFFAOYSA-N 1 0 355.360 2.174 20 30 FEEDRO Cn1cc(C[NH2+]C[C@H]2CCCCS2(=O)=O)c(-c2ccc(C#N)cc2)n1 ZINC000544367006 673707900 /nfs/dbraw/zinc/70/79/00/673707900.db2.gz HBVHZRDQLRSTAC-QGZVFWFLSA-N 1 0 358.467 2.016 20 30 FEEDRO C=CCN1CCC([NH2+]CC2(O)CCC(C(=O)OC(C)(C)C)CC2)CC1 ZINC000600718936 673794395 /nfs/dbraw/zinc/79/43/95/673794395.db2.gz AULSDUUPTPFOJG-UHFFFAOYSA-N 1 0 352.519 2.489 20 30 FEEDRO N#CC1(CS(=O)(=O)NCC2([NH+]3CCSCC3)CCCC2)CCCC1 ZINC000546798671 673819646 /nfs/dbraw/zinc/81/96/46/673819646.db2.gz DTFXPGBBIMFEBU-UHFFFAOYSA-N 1 0 371.572 2.351 20 30 FEEDRO CCC1([NH+](C)C)CCN(S(=O)(=O)Cc2ccc(C#N)cc2F)CC1 ZINC000601504056 673872470 /nfs/dbraw/zinc/87/24/70/673872470.db2.gz XKJANYUWENSJBQ-UHFFFAOYSA-N 1 0 353.463 2.333 20 30 FEEDRO CC1([NH+]2CCCC2)CCN(CCS(=O)(=O)c2cccc(C#N)c2)CC1 ZINC000602953140 673914385 /nfs/dbraw/zinc/91/43/85/673914385.db2.gz WQRMNJVCTHHQDC-UHFFFAOYSA-N 1 0 361.511 2.282 20 30 FEEDRO C[NH+](C)C1(CNc2ccc(C#N)cc2CS(N)(=O)=O)CCCCC1 ZINC000603278330 673921614 /nfs/dbraw/zinc/92/16/14/673921614.db2.gz VJJKUAXHTAOUKL-UHFFFAOYSA-N 1 0 350.488 2.023 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)[C@@H](C)NC(=O)c2ccc(Cl)cc2)CC1 ZINC000747404201 673926382 /nfs/dbraw/zinc/92/63/82/673926382.db2.gz ICMQRJXEEVHXOM-CQSZACIVSA-N 1 0 361.873 2.062 20 30 FEEDRO C[NH+]1CCC2(CCN(S(=O)(=O)c3ccc(Cl)cc3C#N)C2)CC1 ZINC000603377847 673927573 /nfs/dbraw/zinc/92/75/73/673927573.db2.gz FGWXZNMCLPAFHB-UHFFFAOYSA-N 1 0 353.875 2.318 20 30 FEEDRO Cc1ncc(S(=O)(=O)N2CCCC[C@H]2[C@@H](C)C[NH+](C)C)cc1C#N ZINC000603390453 673928864 /nfs/dbraw/zinc/92/88/64/673928864.db2.gz KCOKGFHSIJIABU-GUYCJALGSA-N 1 0 350.488 2.003 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+]C[C@H](CCO)c2ccccc2)cc1 ZINC000566235509 675197203 /nfs/dbraw/zinc/19/72/03/675197203.db2.gz YAWNFDIRZMABNW-SFHVURJKSA-N 1 0 358.463 2.088 20 30 FEEDRO CC(C)[C@H]1CC[N@H+](CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)C1 ZINC000566393759 675210332 /nfs/dbraw/zinc/21/03/32/675210332.db2.gz GAIWQELXBMEKRD-IRXDYDNUSA-N 1 0 360.527 2.435 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)c1sc(NC(=O)OC(C)(C)C)nc1C ZINC000818589098 675226435 /nfs/dbraw/zinc/22/64/35/675226435.db2.gz QKDAYELUXZXQPO-UHFFFAOYSA-N 1 0 366.487 2.483 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000818606159 675228201 /nfs/dbraw/zinc/22/82/01/675228201.db2.gz FNLUUVJGONTSFV-UHFFFAOYSA-N 1 0 353.806 2.088 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)c1ccccc1SCc1nc(C)no1 ZINC000818611841 675228430 /nfs/dbraw/zinc/22/84/30/675228430.db2.gz FLHCDZVFLCNNDX-UHFFFAOYSA-N 1 0 358.467 2.355 20 30 FEEDRO N#Cc1ccc(NCC[NH2+]C[C@H](O)c2ccc(Br)cc2)nc1 ZINC000818952493 675246000 /nfs/dbraw/zinc/24/60/00/675246000.db2.gz NMTLCNIZNSJLGC-HNNXBMFYSA-N 1 0 361.243 2.451 20 30 FEEDRO N#Cc1cccnc1NCC[NH2+]C[C@@H](O)c1ccccc1Br ZINC000818974520 675248629 /nfs/dbraw/zinc/24/86/29/675248629.db2.gz BYPSPFKKOMYNHJ-OAHLLOKOSA-N 1 0 361.243 2.451 20 30 FEEDRO N#Cc1cccnc1NCC[NH2+]C[C@H](O)COCc1ccc(Cl)cc1 ZINC000818976309 675248956 /nfs/dbraw/zinc/24/89/56/675248956.db2.gz ZUUROBBKGPXFPO-KRWDZBQOSA-N 1 0 360.845 2.186 20 30 FEEDRO Cc1ncc2c(n1)CCC[C@H]2[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000819083309 675259181 /nfs/dbraw/zinc/25/91/81/675259181.db2.gz ZDXAQCACGIYILX-QGZVFWFLSA-N 1 0 356.451 2.098 20 30 FEEDRO C=CCOc1cccc(C[NH2+]C[C@@H]2CCCCN2S(=O)(=O)N(C)C)c1 ZINC000567079614 675265402 /nfs/dbraw/zinc/26/54/02/675265402.db2.gz RPADMRUSAWEZAJ-KRWDZBQOSA-N 1 0 367.515 2.002 20 30 FEEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+][C@@H]2CC[C@H]3SCCS[C@H]23)c1 ZINC000819197252 675268874 /nfs/dbraw/zinc/26/88/74/675268874.db2.gz HOYXTOSAUHGJOD-BZUAXINKSA-N 1 0 368.549 2.301 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H]2CC[C@H]3SCCS[C@H]23)cc1 ZINC000819198900 675269136 /nfs/dbraw/zinc/26/91/36/675269136.db2.gz VOMXNDVIHNDOJC-BZUAXINKSA-N 1 0 368.549 2.301 20 30 FEEDRO CN(CC[NH+]1CCCC1)C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C ZINC000819238478 675273064 /nfs/dbraw/zinc/27/30/64/675273064.db2.gz GNXNXJMCOLKWFG-OAHLLOKOSA-N 1 0 352.479 2.128 20 30 FEEDRO C#CCNC(=O)CC[NH2+]Cc1cc(Br)ccc1Br ZINC000819243002 675273331 /nfs/dbraw/zinc/27/33/31/675273331.db2.gz TZQVMWTVGAQFJJ-UHFFFAOYSA-N 1 0 374.076 2.441 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]C[C@]1(O)CCCN(C(=O)OC(C)(C)C)CC1 ZINC000819383357 675287181 /nfs/dbraw/zinc/28/71/81/675287181.db2.gz WDJCULDYJKYUCC-BXWFABGCSA-N 1 0 354.491 2.319 20 30 FEEDRO C[C@@]1(C[NH2+]C[C@H](O)COc2ccc(C#N)cc2)OCCc2sccc21 ZINC000567582459 675303807 /nfs/dbraw/zinc/30/38/07/675303807.db2.gz JGCKMVCSGHFPJR-KXBFYZLASA-N 1 0 358.463 2.437 20 30 FEEDRO C[C@@]1(C[NH2+]C[C@@H](O)COc2ccc(C#N)cc2)OCCc2sccc21 ZINC000567582456 675303943 /nfs/dbraw/zinc/30/39/43/675303943.db2.gz JGCKMVCSGHFPJR-BEFAXECRSA-N 1 0 358.463 2.437 20 30 FEEDRO C#C[C@@H](NC(=O)NC[C@@H]1CCC[N@H+]1CCCO)c1ccc(Cl)cc1F ZINC000820751202 675385324 /nfs/dbraw/zinc/38/53/24/675385324.db2.gz UVKGQNNGCAOWMO-WMLDXEAASA-N 1 0 367.852 2.299 20 30 FEEDRO Cn1c(Cl)ncc1C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000821757581 675449487 /nfs/dbraw/zinc/44/94/87/675449487.db2.gz WSZTVZHYBIGUQN-UHFFFAOYSA-N 1 0 357.845 2.362 20 30 FEEDRO CC#CCS(=O)(=O)c1cccc(C(=O)NCCCC[N@H+](C)C2CC2)c1 ZINC000822272424 675475459 /nfs/dbraw/zinc/47/54/59/675475459.db2.gz PTLYXVAPCGFBBK-UHFFFAOYSA-N 1 0 362.495 2.088 20 30 FEEDRO C#CCO[C@H](C)C(=O)NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000823171458 675533994 /nfs/dbraw/zinc/53/39/94/675533994.db2.gz TWYRHLWKPPYAGH-MRXNPFEDSA-N 1 0 363.889 2.007 20 30 FEEDRO C=CC1(CC(=O)N2CC[NH2+][C@@H](C(C)C)C2)CN(C(=O)OC(C)(C)C)C1 ZINC000826762355 675704047 /nfs/dbraw/zinc/70/40/47/675704047.db2.gz GPIYBHNETMVRTF-OAHLLOKOSA-N 1 0 351.491 2.256 20 30 FEEDRO CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC(C)([NH+](C)C)CC2)c1 ZINC000827778933 675777645 /nfs/dbraw/zinc/77/76/45/675777645.db2.gz IOZVYPCDVNFCJH-UHFFFAOYSA-N 1 0 362.495 2.040 20 30 FEEDRO C=C(C[NH+](C)C)C(=O)N1CCC[C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]21 ZINC000829376632 675877617 /nfs/dbraw/zinc/87/76/17/675877617.db2.gz IKJCSZKNJWFVKK-JKSUJKDBSA-N 1 0 351.491 2.352 20 30 FEEDRO C[NH+](C)[C@H](CNS(=O)(=O)c1cccc(CC#N)c1)Cc1ccccc1 ZINC000619473396 676378971 /nfs/dbraw/zinc/37/89/71/676378971.db2.gz MCYNYDIVMYEDFB-SFHVURJKSA-N 1 0 357.479 2.204 20 30 FEEDRO C[NH+](C)C[C@H](Cc1ccccc1)NS(=O)(=O)c1cccc(CC#N)c1 ZINC000619477980 676379326 /nfs/dbraw/zinc/37/93/26/676379326.db2.gz RBDSAWFIABBSML-SFHVURJKSA-N 1 0 357.479 2.204 20 30 FEEDRO N#CCc1ccccc1S(=O)(=O)NCc1ccnc(N2CCCC2)c1 ZINC000619571822 676385344 /nfs/dbraw/zinc/38/53/44/676385344.db2.gz BVGWTLCTZZLJTI-UHFFFAOYSA-N 1 0 356.451 2.226 20 30 FEEDRO C=CCc1ccc(OC[C@@H](O)CN2CCO[C@H](CCF)C2)c(OC)c1 ZINC000625999863 676682880 /nfs/dbraw/zinc/68/28/80/676682880.db2.gz DYAUHVMRULMKCD-DLBZAZTESA-N 1 0 353.434 2.224 20 30 FEEDRO C=CCOc1c(Cl)cc(CN2CCCN(C(N)=O)CC2)cc1OC ZINC000628160116 676792842 /nfs/dbraw/zinc/79/28/42/676792842.db2.gz KBQXMSPMBJLYSZ-UHFFFAOYSA-N 1 0 353.850 2.500 20 30 FEEDRO COCCN(Cc1ccc(C#N)cc1)C(=S)NCC1CC[NH+](C)CC1 ZINC000760476881 680689190 /nfs/dbraw/zinc/68/91/90/680689190.db2.gz LPWFEFBZWPYSER-UHFFFAOYSA-N 1 0 360.527 2.223 20 30 FEEDRO C[C@]12C[NH+](CC#Cc3ccc(C(F)(F)F)cc3)C[C@]1(C)C(=O)NC2=O ZINC000639950809 677169702 /nfs/dbraw/zinc/16/97/02/677169702.db2.gz DSDXKSFCMKXLCO-IAGOWNOFSA-N 1 0 350.340 2.042 20 30 FEEDRO C=CCNS(=O)(=O)c1ccccc1N1CCC(CC)([NH+](C)C)CC1 ZINC000641681629 677213579 /nfs/dbraw/zinc/21/35/79/677213579.db2.gz HVCSBRAWRCJGMY-UHFFFAOYSA-N 1 0 351.516 2.462 20 30 FEEDRO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCC(C(=O)NCC(F)(F)F)CC1 ZINC000642099028 677218243 /nfs/dbraw/zinc/21/82/43/677218243.db2.gz SZHDGIFGTLCDMR-CYBMUJFWSA-N 1 0 363.424 2.190 20 30 FEEDRO C#C[C@H](NC(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1)[C@@H]1CCCO1 ZINC000838558127 680701340 /nfs/dbraw/zinc/70/13/40/680701340.db2.gz DKEOVEWFUCDTSR-GJZGRUSLSA-N 1 0 361.408 2.225 20 30 FEEDRO C=CC[C@@H]1CC[C@H]([NH2+]Cc2cccc(S(=O)(=O)NCCOC)c2)C1 ZINC000651717467 677446837 /nfs/dbraw/zinc/44/68/37/677446837.db2.gz GMXWXBGHJTVGTQ-WBVHZDCISA-N 1 0 352.500 2.446 20 30 FEEDRO C#CC[N@@H+](C)CCCNC(=O)N[C@H](C)[C@H](O)c1c(F)cccc1Cl ZINC000838623206 680706767 /nfs/dbraw/zinc/70/67/67/680706767.db2.gz UYODEWNIHQPTCR-WBMJQRKESA-N 1 0 355.841 2.155 20 30 FEEDRO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655957105 677696401 /nfs/dbraw/zinc/69/64/01/677696401.db2.gz NWGBEGSMWQHKAX-CYBMUJFWSA-N 1 0 357.376 2.483 20 30 FEEDRO C=CC[C@]1(C(=O)N(C)Cc2nc([C@@H](C)OCC(C)C)no2)CCC[NH2+]1 ZINC000662647738 678646955 /nfs/dbraw/zinc/64/69/55/678646955.db2.gz HNBNEDRAZLRPPW-RDTXWAMCSA-N 1 0 350.463 2.460 20 30 FEEDRO O=C(C#Cc1ccc(C(F)(F)F)cc1)N[C@H](CO)C[NH+]1CCCCC1 ZINC000840453228 680824117 /nfs/dbraw/zinc/82/41/17/680824117.db2.gz IXNUMOKVYBJWRX-INIZCTEOSA-N 1 0 354.372 2.020 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)[C@@H](CC(F)F)NC(=O)OC(C)(C)C)CC1 ZINC000765784259 680855229 /nfs/dbraw/zinc/85/52/29/680855229.db2.gz SIYVNALCNAUGHT-CYBMUJFWSA-N 1 0 361.433 2.302 20 30 FEEDRO COC(=O)c1cc(C(C)(C)C)sc1NC(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000841113340 680864011 /nfs/dbraw/zinc/86/40/11/680864011.db2.gz KEJSZAKLWUYBON-ONGXEEELSA-N 1 0 350.444 2.065 20 30 FEEDRO C=CCNS(=O)(=O)c1ccc(C(=O)OCCC[NH+]2CCCCC2)cc1 ZINC000747760999 679901562 /nfs/dbraw/zinc/90/15/62/679901562.db2.gz VXXCGYLHDGXUFT-UHFFFAOYSA-N 1 0 366.483 2.184 20 30 FEEDRO C#CCNC(=O)C1CC[NH+](CCC(=O)Nc2ccc(Cl)cc2F)CC1 ZINC000747818156 679905341 /nfs/dbraw/zinc/90/53/41/679905341.db2.gz GMPNKKHMJDEFRL-UHFFFAOYSA-N 1 0 365.836 2.269 20 30 FEEDRO C=C(Br)CN1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C(C)(C)C1 ZINC000974606490 679963500 /nfs/dbraw/zinc/96/35/00/679963500.db2.gz PUGQHZQUEXHNTD-MGPQQGTHSA-N 1 0 358.324 2.062 20 30 FEEDRO C=C(Cl)C(C)(C)C(=O)N1CC[C@@H]2CN(C(=O)C[N@H+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC000975224322 680023223 /nfs/dbraw/zinc/02/32/23/680023223.db2.gz OKLNOBJGSQHVAN-FVQBIDKESA-N 1 0 367.921 2.166 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H](C[N@H+](C)CC2CCOCC2)C1 ZINC001017212364 680072809 /nfs/dbraw/zinc/07/28/09/680072809.db2.gz KEXIWDSMEFIRSB-OTWHNJEPSA-N 1 0 350.503 2.175 20 30 FEEDRO C=CCCC[C@@H]([NH3+])C(=O)NCC(=O)Nc1ccc(Br)cc1C ZINC000912044586 685304670 /nfs/dbraw/zinc/30/46/70/685304670.db2.gz XQWBVYYSEUUQFX-CYBMUJFWSA-N 1 0 368.275 2.496 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@]12CCC[C@H]1[N@H+](CCc1ccns1)CC2 ZINC000992242440 680097750 /nfs/dbraw/zinc/09/77/50/680097750.db2.gz RNKDLLUSTGWVLL-SFNKJDCFSA-N 1 0 361.511 2.390 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]C[C@@H](O)C2CCCCC2)C1 ZINC001020167848 680101588 /nfs/dbraw/zinc/10/15/88/680101588.db2.gz IQHGJIHCWNUSPG-NNIGNNQHSA-N 1 0 350.503 2.146 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3cnc(C)s3)C[C@H]21 ZINC000978843637 680181675 /nfs/dbraw/zinc/18/16/75/680181675.db2.gz UAZKQYQIRLGYMS-TXTZMMAHSA-N 1 0 361.511 2.227 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C[C@@H](NC(=O)OC(C)(C)C)C2CC2)CC1 ZINC000751595277 680188832 /nfs/dbraw/zinc/18/88/32/680188832.db2.gz HPWMIQIWPSJMLQ-MRXNPFEDSA-N 1 0 351.491 2.446 20 30 FEEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)c1ccn(-c2ccc(Cl)cc2Cl)n1 ZINC000834483943 680233265 /nfs/dbraw/zinc/23/32/65/680233265.db2.gz BNEIJSDNBGJFKK-NOZJJQNGSA-N 1 0 350.209 2.020 20 30 FEEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)c1ccn(-c2ccc(Cl)c(Cl)c2)n1 ZINC000834485022 680233295 /nfs/dbraw/zinc/23/32/95/680233295.db2.gz QXJSTOGIYHEMDJ-XPTSAGLGSA-N 1 0 350.209 2.020 20 30 FEEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)c1ccc(Br)cc1Br ZINC000834484524 680233403 /nfs/dbraw/zinc/23/34/03/680233403.db2.gz KBLUAHQDIAPIJK-RDDDGLTNSA-N 1 0 373.048 2.053 20 30 FEEDRO CC(C)(C)NC(=O)Nc1ccc(Cl)c(C(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)c1 ZINC000834488722 680234243 /nfs/dbraw/zinc/23/42/43/680234243.db2.gz GCHQFCBTMQEQFA-QMTHXVAHSA-N 1 0 363.849 2.101 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)c2ncccc2OCC(F)(F)F)CC1 ZINC000752630539 680252177 /nfs/dbraw/zinc/25/21/77/680252177.db2.gz KGSASFHYYSVTSO-UHFFFAOYSA-N 1 0 355.360 2.240 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]([NH2+]CC(=C)Br)C(C)(C)C1 ZINC000996331425 680328701 /nfs/dbraw/zinc/32/87/01/680328701.db2.gz RAWRECJDEYWTDG-RDBSUJKOSA-N 1 0 357.292 2.313 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)NC1CCC([NH2+]CCC2CCOCC2)CC1 ZINC001026563603 680347236 /nfs/dbraw/zinc/34/72/36/680347236.db2.gz ABPRPXRHNOOSCU-GMNCBBECSA-N 1 0 350.503 2.411 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)NC1CCC([NH2+]Cc2ncc(Cl)n2C)CC1 ZINC001026563947 680347247 /nfs/dbraw/zinc/34/72/47/680347247.db2.gz PPQQDWSJIWNPNH-CVSAEHQPSA-N 1 0 366.893 2.182 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2ccc(F)c(F)c2)C1 ZINC001027075514 680354476 /nfs/dbraw/zinc/35/44/76/680354476.db2.gz UNKDNCPVNJOBLR-DAYGRLMNSA-N 1 0 350.409 2.494 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2cnc(Cl)s2)C1 ZINC001027075237 680354495 /nfs/dbraw/zinc/35/44/95/680354495.db2.gz ONZOQDHZHSUXID-YUTCNCBUSA-N 1 0 355.891 2.326 20 30 FEEDRO C=CCC[N@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)CC1 ZINC000998065850 680374218 /nfs/dbraw/zinc/37/42/18/680374218.db2.gz IRCSJNGAKMEDSP-CADBVGFASA-N 1 0 350.503 2.317 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+](CCOC2CCC2)C1 ZINC001028856016 680385014 /nfs/dbraw/zinc/38/50/14/680385014.db2.gz UPIZHIFHSKRKCV-WDSOQIARSA-N 1 0 350.503 2.365 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([C@H](C)[NH2+]Cc2nncs2)CC1 ZINC001029102013 680386402 /nfs/dbraw/zinc/38/64/02/680386402.db2.gz UIXZHUCSMBTYRZ-IMJJTQAJSA-N 1 0 364.515 2.236 20 30 FEEDRO CCCC[N@@H+]1CCCC[C@H]1CNc1cccc(S(N)(=O)=O)c1C#N ZINC000754991389 680392795 /nfs/dbraw/zinc/39/27/95/680392795.db2.gz PUXCOUWMIBYVLV-AWEZNQCLSA-N 1 0 350.488 2.272 20 30 FEEDRO C[N@@H+](Cc1ccc(C#N)s1)CC1CCN(C(=O)[C@]23C[C@H]2COC3)CC1 ZINC001029966891 680395472 /nfs/dbraw/zinc/39/54/72/680395472.db2.gz KVZANWMFSNSSKK-KXBFYZLASA-N 1 0 359.495 2.327 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CC(=C)Br)C1 ZINC000999181275 680396783 /nfs/dbraw/zinc/39/67/83/680396783.db2.gz KBHPCRUVPWRKRU-KFWWJZLASA-N 1 0 357.292 2.457 20 30 FEEDRO CC[C@@H]1[C@@H](C(=O)NC2CN(CC#Cc3cccc(Cl)c3)C2)CC[N@@H+]1C ZINC001030339490 680398187 /nfs/dbraw/zinc/39/81/87/680398187.db2.gz WIPMWQOEZLTNJI-RBUKOAKNSA-N 1 0 359.901 2.222 20 30 FEEDRO CC[C@@H]1[C@@H](NC(=O)c2sccc2C[NH+](C)C)CCN1C(=O)[C@@H](C)C#N ZINC000984967043 680401375 /nfs/dbraw/zinc/40/13/75/680401375.db2.gz LRGIRZJTRYGRKN-AEGPPILISA-N 1 0 362.499 2.079 20 30 FEEDRO C=C(Br)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C1 ZINC000999413579 680402831 /nfs/dbraw/zinc/40/28/31/680402831.db2.gz RXEBWEYMHWIXNR-JHJVBQTASA-N 1 0 353.264 2.002 20 30 FEEDRO C#CC[N@@H+](C)CCCNC(=O)NCc1ccc(OC)cc1C(F)(F)F ZINC000836269691 680442831 /nfs/dbraw/zinc/44/28/31/680442831.db2.gz GMOYSVAAGXHBRB-UHFFFAOYSA-N 1 0 357.376 2.468 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CC2CCCCC2)CCO1 ZINC001035371317 680445021 /nfs/dbraw/zinc/44/50/21/680445021.db2.gz ZWZIZPMSHWUGMM-QRVBRYPASA-N 1 0 350.503 2.365 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC([N@H+](C)CC[C@@H]2CCCO2)CC1 ZINC000985695223 680471559 /nfs/dbraw/zinc/47/15/59/680471559.db2.gz VEROBZZLLITGJI-FHWLQOOXSA-N 1 0 350.503 2.460 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)NCC1CC[NH+](CC[C@@H]2CCCCO2)CC1 ZINC001001850581 680478412 /nfs/dbraw/zinc/47/84/12/680478412.db2.gz BREQSLWQLSLSNL-OTWHNJEPSA-N 1 0 350.503 2.365 20 30 FEEDRO C=C(Br)CN1CC[C@@]2(CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC001041296512 680503497 /nfs/dbraw/zinc/50/34/97/680503497.db2.gz IBBYLAMYUUQNGO-BFYDXBDKSA-N 1 0 370.335 2.160 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC([C@@H]2CCC[N@@H+]2CCCO)CC1 ZINC001004577905 680560716 /nfs/dbraw/zinc/56/07/16/680560716.db2.gz UTHKUPWJNRERCY-FHWLQOOXSA-N 1 0 350.503 2.053 20 30 FEEDRO Cc1nsc(N[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C[C@H]2C)c1C#N ZINC001043326284 680574401 /nfs/dbraw/zinc/57/44/01/680574401.db2.gz CZNUAFMQBQDYNJ-WQVCFCJDSA-N 1 0 361.515 2.455 20 30 FEEDRO C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@H]1Nc1nc(C#N)c(Cl)s1 ZINC001043511860 680585162 /nfs/dbraw/zinc/58/51/62/680585162.db2.gz LGFYIGPXSIMDGK-NQBHXWOUSA-N 1 0 367.906 2.411 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CC[NH+](C[C@H](OC)C2CCC2)CC1 ZINC001006023551 680590811 /nfs/dbraw/zinc/59/08/11/680590811.db2.gz VKRUFQNKBQTHNA-QYZOEREBSA-N 1 0 350.503 2.315 20 30 FEEDRO C=C(Cl)C(C)(C)C(=O)N1CC([C@@H](C)NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001006180868 680597785 /nfs/dbraw/zinc/59/77/85/680597785.db2.gz AXEODEBTUMINQL-UHOFOFEASA-N 1 0 369.937 2.459 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)NC1(C)CC[NH+](CCC2CCOCC2)CC1 ZINC001045563403 680634863 /nfs/dbraw/zinc/63/48/63/680634863.db2.gz FITLXJQIGXKLMA-MSOLQXFVSA-N 1 0 350.503 2.365 20 30 FEEDRO C=C(Cl)C[NH+]1CCC2(CO[C@H](CNC(=O)[C@H]3CC[C@@H](C)O3)C2)CC1 ZINC001045682194 680638461 /nfs/dbraw/zinc/63/84/61/680638461.db2.gz PRZQCRPDOODTMQ-OWCLPIDISA-N 1 0 356.894 2.294 20 30 FEEDRO C=C(Cl)C[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CC[C@@H](C(N)=O)C1)C2 ZINC001045967144 680642758 /nfs/dbraw/zinc/64/27/58/680642758.db2.gz NDWDGEDWHTVHQL-JTDSTZFVSA-N 1 0 367.921 2.345 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2c(Cl)n(C)nc2C(C)C)c1C#N ZINC000760309400 680682282 /nfs/dbraw/zinc/68/22/82/680682282.db2.gz ZNMOYQSNVOUVIT-UHFFFAOYSA-N 1 0 363.853 2.196 20 30 FEEDRO CCOC(=O)c1cc2cc(NC(=O)N[C@@H]3C[NH2+]C[C@H]3C#N)ccc2s1 ZINC000841162229 680866782 /nfs/dbraw/zinc/86/67/82/680866782.db2.gz RJWQPCCTVMWLFV-DGCLKSJQSA-N 1 0 358.423 2.311 20 30 FEEDRO CCc1c(NC(=O)N[C@H]2C[NH2+]C[C@H]2C#N)cnn1-c1ccc(Cl)cc1 ZINC000841214180 680869421 /nfs/dbraw/zinc/86/94/21/680869421.db2.gz FFCQAMBJLKBHEI-RISCZKNCSA-N 1 0 358.833 2.321 20 30 FEEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)N[C@H](c1ccc(F)c(Cl)c1)C(F)(F)F ZINC000841218160 680869557 /nfs/dbraw/zinc/86/95/57/680869557.db2.gz POVBORUYNWKWPB-GGZOMVNGSA-N 1 0 364.730 2.493 20 30 FEEDRO C=C(Cl)CNC(=O)C(=O)Nc1cccc(N2CC[NH+](C(C)C)CC2)c1 ZINC000768081414 680937452 /nfs/dbraw/zinc/93/74/52/680937452.db2.gz XWUMUTPOKBOMMN-UHFFFAOYSA-N 1 0 364.877 2.024 20 30 FEEDRO C#CCOc1ccc(Br)cc1C[NH2+]CCCc1ncn(C)n1 ZINC000842736890 680963043 /nfs/dbraw/zinc/96/30/43/680963043.db2.gz IBSFJHQVHPIBTE-UHFFFAOYSA-N 1 0 363.259 2.312 20 30 FEEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)c1ccc(Br)c(C(F)(F)F)c1 ZINC000844194505 681043847 /nfs/dbraw/zinc/04/38/47/681043847.db2.gz JGEUFSGFYUFNMH-GZMMTYOYSA-N 1 0 362.149 2.309 20 30 FEEDRO N#Cc1cccc(C[NH+]2CCC(NC(=S)NC[C@@H]3CCOC3)CC2)c1 ZINC000844596847 681067953 /nfs/dbraw/zinc/06/79/53/681067953.db2.gz PAAUROAARXWXJD-KRWDZBQOSA-N 1 0 358.511 2.023 20 30 FEEDRO Cc1nsc(N2[C@@H]3CC[C@H]2[C@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C3)c1C#N ZINC001055448621 681136086 /nfs/dbraw/zinc/13/60/86/681136086.db2.gz AIPAFZGFKJRPSI-ZCDTZLGTSA-N 1 0 359.499 2.033 20 30 FEEDRO CN(c1ccc(OCC[NH+](C)C)cc1)S(=O)(=O)c1ccsc1C#N ZINC000845857132 681157136 /nfs/dbraw/zinc/15/71/36/681157136.db2.gz PANJGALQDBSSDY-UHFFFAOYSA-N 1 0 365.480 2.385 20 30 FEEDRO C[C@@H]1[C@H](C(=O)N2CC[C@@H](N(C)c3nc(Cl)c(C#N)s3)C2)CC[N@@H+]1C ZINC001057052910 681158424 /nfs/dbraw/zinc/15/84/24/681158424.db2.gz RZNQVBWWHPNQDA-IJLUTSLNSA-N 1 0 367.906 2.045 20 30 FEEDRO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](N(C)c3snc(C)c3C#N)C2)CC[N@@H+]1C ZINC001057052495 681158470 /nfs/dbraw/zinc/15/84/70/681158470.db2.gz HVQGKAIBXAYQJS-IJEWVQPXSA-N 1 0 361.515 2.091 20 30 FEEDRO C#CCNC(=S)NCCc1ccc(OCC[N@H+]2C[C@H](C)[C@H](C)C2)cc1 ZINC000774562897 681204318 /nfs/dbraw/zinc/20/43/18/681204318.db2.gz BFMGUYCMGNUTMI-CALCHBBNSA-N 1 0 359.539 2.293 20 30 FEEDRO CC(C)(C)OC(=O)NCCCCCC[NH+]1CCN(C(=O)CC#N)CC1 ZINC000846957035 681313065 /nfs/dbraw/zinc/31/30/65/681313065.db2.gz OXXMKQQJNYAIMH-UHFFFAOYSA-N 1 0 352.479 2.129 20 30 FEEDRO COC(=O)CC[N@@H+]1CCN(Cc2cc(Cl)ccc2OCC#N)[C@@H](C)C1 ZINC000775560760 681314612 /nfs/dbraw/zinc/31/46/12/681314612.db2.gz IILSRJBXAFXZBK-AWEZNQCLSA-N 1 0 365.861 2.312 20 30 FEEDRO C[N@H+](CCCc1[nH]nc(N)c1C#N)C[C@H](O)c1ccc(F)cc1Cl ZINC000775643662 681321029 /nfs/dbraw/zinc/32/10/29/681321029.db2.gz VJHWMKILUDZEQC-HNNXBMFYSA-N 1 0 351.813 2.254 20 30 FEEDRO O=C1C[C@@H](C[N@H+]2C[C@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)CN1 ZINC000932943955 681332408 /nfs/dbraw/zinc/33/24/08/681332408.db2.gz LPUNJTJLMOSGHQ-PRJMDXOYSA-N 1 0 366.252 2.225 20 30 FEEDRO CC(C[NH+]1CCCCCC1)N=Nc1ccc(S(=O)(=O)NC2CC2)cn1 ZINC000777431249 681492923 /nfs/dbraw/zinc/49/29/23/681492923.db2.gz QSVXHYSSEKGXEO-UHFFFAOYSA-N 1 0 365.503 2.186 20 30 FEEDRO C=C(C)CNC(=S)C(C(=O)c1nccs1)[n+]1ccc(N(C)C)cc1 ZINC000778064786 681566916 /nfs/dbraw/zinc/56/69/16/681566916.db2.gz PAKYPWJYIWVQIK-UHFFFAOYSA-O 1 0 361.516 2.353 20 30 FEEDRO C=CCCC[N@@H+](CC)CC(=O)Nc1ccc(C)c(S(=O)(=O)NC)c1 ZINC000934648430 681605939 /nfs/dbraw/zinc/60/59/39/681605939.db2.gz OYQTVXQWVKUDQN-UHFFFAOYSA-N 1 0 353.488 2.130 20 30 FEEDRO Cc1ccsc1CCNC1=[NH+]C[C@@H]2CN(C(=O)OC(C)(C)C)CCN12 ZINC000849075701 681649678 /nfs/dbraw/zinc/64/96/78/681649678.db2.gz NDCSJIZQJCVUSB-CQSZACIVSA-N 1 0 364.515 2.480 20 30 FEEDRO C=CCNC(=[NH2+])NCc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 ZINC000849089514 681651449 /nfs/dbraw/zinc/65/14/49/681651449.db2.gz AGDAEFIRXVDLMJ-UHFFFAOYSA-N 1 0 362.430 2.426 20 30 FEEDRO N#CC1(C(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)CCSCC1 ZINC000935295570 681724718 /nfs/dbraw/zinc/72/47/18/681724718.db2.gz OLNXFASCZIKNTA-UHFFFAOYSA-N 1 0 365.543 2.374 20 30 FEEDRO Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)NCC#CC[NH+](C)C ZINC000913517206 685479202 /nfs/dbraw/zinc/47/92/02/685479202.db2.gz XFUSVESDXHHWGW-UHFFFAOYSA-N 1 0 358.873 2.366 20 30 FEEDRO C[NH+](C)CC#CCNC(=O)c1c(F)c(F)c(Br)c(F)c1F ZINC000913523277 685479218 /nfs/dbraw/zinc/47/92/18/685479218.db2.gz SQXNESKQJJSQME-UHFFFAOYSA-N 1 0 367.140 2.300 20 30 FEEDRO C[NH+](C)CC#CCNC(=O)[C@H]1CCCN(c2nc3ccccc3s2)C1 ZINC000913516824 685479236 /nfs/dbraw/zinc/47/92/36/685479236.db2.gz HVRDRNJDQPAWEQ-HNNXBMFYSA-N 1 0 356.495 2.194 20 30 FEEDRO CC(CCCC[NH+](C)C)N=Nc1ccc(S(=O)(=O)NC2CC2)cn1 ZINC000781124222 681903475 /nfs/dbraw/zinc/90/34/75/681903475.db2.gz ZZBPEBAJLQDTJY-UHFFFAOYSA-N 1 0 353.492 2.042 20 30 FEEDRO CC(C)(C#N)CS(=O)(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000914094132 685494266 /nfs/dbraw/zinc/49/42/66/685494266.db2.gz YRMSGLGOKMPZTJ-UHFFFAOYSA-N 1 0 365.499 2.130 20 30 FEEDRO C[C@@H]1CCN(C(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)C[C@@H]1[NH3+] ZINC000850723315 681948147 /nfs/dbraw/zinc/94/81/47/681948147.db2.gz LAEZRTLAADUGRW-ILXRZTDVSA-N 1 0 352.479 2.159 20 30 FEEDRO COc1cc(NC(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)c(Cl)cc1Br ZINC000850766611 681958034 /nfs/dbraw/zinc/95/80/34/681958034.db2.gz OPGDYIKJCNAFJX-RDDDGLTNSA-N 1 0 373.638 2.344 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(Cl)ncc2Cl)c1C#N ZINC000781898821 681986377 /nfs/dbraw/zinc/98/63/77/681986377.db2.gz LSYICSAXCPKNLD-UHFFFAOYSA-N 1 0 353.213 2.387 20 30 FEEDRO C[NH+](C)CCCNC(=S)NC1CCC(Oc2ncccc2C#N)CC1 ZINC000782210821 682017488 /nfs/dbraw/zinc/01/74/88/682017488.db2.gz CSGOHNSFQRANCT-UHFFFAOYSA-N 1 0 361.515 2.059 20 30 FEEDRO C[NH+](C)[C@@H](CNC(=O)NCCNc1ccc(C#N)cn1)c1cccs1 ZINC000915898108 685519393 /nfs/dbraw/zinc/51/93/93/685519393.db2.gz QXDBQGKUIQPUJF-AWEZNQCLSA-N 1 0 358.471 2.029 20 30 FEEDRO C=CCS(=O)(=O)CC[NH2+][C@@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C ZINC000783531488 682150409 /nfs/dbraw/zinc/15/04/09/682150409.db2.gz IUCRYUGVXPYEBG-LSDHHAIUSA-N 1 0 360.520 2.260 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c(C(F)(F)F)c1 ZINC000917654587 685533539 /nfs/dbraw/zinc/53/35/39/685533539.db2.gz HNSPHENXPDYPET-STQMWFEESA-N 1 0 373.400 2.482 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]Cc2cnc(Cl)s2)C1 ZINC000970242288 682290701 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1 0 351.491 2.093 20 30 FEEDRO C=C(Cl)C(C)(C)C(=O)N1C[C@H]2CCN(C(=O)C3CC[NH+](C)CC3)C[C@H]21 ZINC000972340051 682407954 /nfs/dbraw/zinc/40/79/54/682407954.db2.gz PNKIYUIDIGMFSX-HZPDHXFCSA-N 1 0 367.921 2.166 20 30 FEEDRO Ic1cccc(C=NNC2=[NH+][C@@H]3CCCC[C@@H]3N2)c1 ZINC000789034481 682575230 /nfs/dbraw/zinc/57/52/30/682575230.db2.gz PTINDNRLUMRFLA-BETUJISGSA-N 1 0 368.222 2.485 20 30 FEEDRO CCN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)[C@H]1CC[N@H+](C)C1 ZINC000855360508 682661460 /nfs/dbraw/zinc/66/14/60/682661460.db2.gz GMVAFXFOPCDWAI-GJZGRUSLSA-N 1 0 352.479 2.126 20 30 FEEDRO C=CC[N@@H+](CCOC)CC1(O)C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000856738233 682802033 /nfs/dbraw/zinc/80/20/33/682802033.db2.gz LUMXCNAAWNWNQP-MCPYQZEQSA-N 1 0 354.491 2.414 20 30 FEEDRO C=CCc1cc(OCC)cc(C[N@@H+]2CC[C@H](CS(C)(=O)=O)C2)c1O ZINC000793702372 682904825 /nfs/dbraw/zinc/90/48/25/682904825.db2.gz YJYOAPVBCZCDLL-AWEZNQCLSA-N 1 0 353.484 2.386 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)NCc1ccc(Br)c(F)c1F ZINC000858493403 682972874 /nfs/dbraw/zinc/97/28/74/682972874.db2.gz TUAAHQJGCUUTJV-UHFFFAOYSA-N 1 0 374.229 2.482 20 30 FEEDRO C#CCCN1CCN(C(=O)C2(C(=O)OC(C)(C)C)CCSCC2)CC1 ZINC000859003251 683024766 /nfs/dbraw/zinc/02/47/66/683024766.db2.gz IZLQJSLNIFWSMR-UHFFFAOYSA-N 1 0 366.527 2.009 20 30 FEEDRO COC[C@@]1(C[NH2+]C[C@H](C#N)CCC#N)CCCN1C(=O)OC(C)(C)C ZINC000795353883 683043595 /nfs/dbraw/zinc/04/35/95/683043595.db2.gz RGUZBQMFNRPJSN-YJBOKZPZSA-N 1 0 350.463 2.436 20 30 FEEDRO C=CCS(=O)(=O)CC[NH2+][C@@H]1C[C@H]2CC[C@@H]([C@H]1C)N2C(=O)OC(C)(C)C ZINC000926127304 683080044 /nfs/dbraw/zinc/08/00/44/683080044.db2.gz WLBWAXIBPLOMIM-JJXSEGSLSA-N 1 0 372.531 2.353 20 30 FEEDRO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NC(=O)c3sccc3CC#N)C2)[C@H]1C(C)C ZINC000926264255 683100813 /nfs/dbraw/zinc/10/08/13/683100813.db2.gz FLGGUFHUHVEJNB-LFEHRJTNSA-N 1 0 361.511 2.414 20 30 FEEDRO C#CCN(C(=O)NCC[C@@H]1CC[C@H](C(F)(F)F)O1)C1CC[NH+](C)CC1 ZINC000926295086 683105206 /nfs/dbraw/zinc/10/52/06/683105206.db2.gz YRJUHSCYWUXBMH-LSDHHAIUSA-N 1 0 361.408 2.225 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)c2cc(Br)cc(C=O)c2)CC1 ZINC000859524956 683123110 /nfs/dbraw/zinc/12/31/10/683123110.db2.gz NSPHPPUHCGLZNY-UHFFFAOYSA-N 1 0 363.255 2.479 20 30 FEEDRO N#Cc1c(NC[C@H]2CCC[N@@H+]2C2CCCCC2)cccc1S(N)(=O)=O ZINC000797840048 683279932 /nfs/dbraw/zinc/27/99/32/683279932.db2.gz FIMZISMFJYUNOX-OAHLLOKOSA-N 1 0 362.499 2.415 20 30 FEEDRO C#CCOc1ccc(F)cc1NC(=O)N[C@@H](CO)CC[NH+](CC)CC ZINC000798199616 683320490 /nfs/dbraw/zinc/32/04/90/683320490.db2.gz HTKISXAUQXOVSS-OAHLLOKOSA-N 1 0 351.422 2.052 20 30 FEEDRO C=CCN1CC[C@H]([N@H+]2CCC[C@H](C)[C@@H]2CNC(=O)OC(C)(C)C)C1=O ZINC000799124918 683425310 /nfs/dbraw/zinc/42/53/10/683425310.db2.gz BFQBRNKIJFDBSS-JYJNAYRXSA-N 1 0 351.491 2.399 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)Cc2ccc(OC)c(OC)c2Cl)CC1 ZINC000928650382 683481407 /nfs/dbraw/zinc/48/14/07/683481407.db2.gz BEZQVCCVRCZZQJ-UHFFFAOYSA-N 1 0 350.846 2.114 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)Cc2cc(OC)ccc2Br)CC1 ZINC000928654495 683482140 /nfs/dbraw/zinc/48/21/40/683482140.db2.gz DXWHXZFAYVNZHD-UHFFFAOYSA-N 1 0 365.271 2.214 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)c2cnn(C(C)(C)C)c2C(F)(F)F)CC1 ZINC000928656564 683482559 /nfs/dbraw/zinc/48/25/59/683482559.db2.gz AWZRPSODYKZDIS-UHFFFAOYSA-N 1 0 356.392 2.484 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)[C@H](C)Sc2ccc(NC(C)=O)cc2)CC1 ZINC000928657759 683482835 /nfs/dbraw/zinc/48/28/35/683482835.db2.gz XNVKWXQZOSVYPB-AWEZNQCLSA-N 1 0 359.495 2.339 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)c2nn(C(C)C)cc2Br)CC1 ZINC000928660799 683483403 /nfs/dbraw/zinc/48/34/03/683483403.db2.gz GTAOLTQHFFNNIY-UHFFFAOYSA-N 1 0 353.264 2.054 20 30 FEEDRO C[NH+]1CCN(Cc2cccc(C(=O)N[C@H](CC#N)C(F)(F)F)c2)CC1 ZINC000928807783 683506958 /nfs/dbraw/zinc/50/69/58/683506958.db2.gz BGQFHYQLEJNBOK-OAHLLOKOSA-N 1 0 354.376 2.008 20 30 FEEDRO N#Cc1ccc(C[N@H+]2C[C@H]3[C@@H](C2)[C@H]2CC[C@@H]3N(C(=O)C(F)(F)F)C2)o1 ZINC000862537547 683598431 /nfs/dbraw/zinc/59/84/31/683598431.db2.gz CLHCQJCRVCLVME-HJPIBITLSA-N 1 0 353.344 2.382 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)NCCc2cccc3c2OC(F)(F)O3)CC1 ZINC000862648637 683615076 /nfs/dbraw/zinc/61/50/76/683615076.db2.gz ZNUVSZYDIONVSA-UHFFFAOYSA-N 1 0 350.365 2.012 20 30 FEEDRO COCCO[C@H]1COCC[C@H]1[NH2+]Cc1cc(C#N)ccc1Br ZINC000922018494 683637635 /nfs/dbraw/zinc/63/76/35/683637635.db2.gz MYTBZNAIOAHFLP-CVEARBPZSA-N 1 0 369.259 2.231 20 30 FEEDRO C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(Cl)c(OC)c1 ZINC000922024005 683639109 /nfs/dbraw/zinc/63/91/09/683639109.db2.gz ZAXCNTBSPLURRA-UHFFFAOYSA-N 1 0 356.875 2.067 20 30 FEEDRO COc1cc(Br)c(NC(=O)NCC#CC[NH+](C)C)cc1OC ZINC000929915583 683655579 /nfs/dbraw/zinc/65/55/79/683655579.db2.gz JVMWBCPLZZPTBC-UHFFFAOYSA-N 1 0 370.247 2.153 20 30 FEEDRO N#Cc1ccc(CNC(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)cc1Cl ZINC000922372862 683709288 /nfs/dbraw/zinc/70/92/88/683709288.db2.gz ACJHHAXTPQDFFF-INIZCTEOSA-N 1 0 362.861 2.264 20 30 FEEDRO N#Cc1ccccc1OC[C@@H](O)C[NH2+]C[C@@H](O)c1cc(F)cc(Cl)c1 ZINC000863562549 683742621 /nfs/dbraw/zinc/74/26/21/683742621.db2.gz KZTDALSJVCWPAN-DLBZAZTESA-N 1 0 364.804 2.414 20 30 FEEDRO C#CC[C@@H](CCOC)[NH2+]C[C@H](O)COc1ccc(Br)cc1 ZINC000863589004 683746796 /nfs/dbraw/zinc/74/67/96/683746796.db2.gz IVAYUVLIXAIPDJ-GJZGRUSLSA-N 1 0 356.260 2.207 20 30 FEEDRO COC(=O)Nc1cc(C(=O)N(CCC#N)CCC[NH+](C)C)ccc1F ZINC000930704003 683773396 /nfs/dbraw/zinc/77/33/96/683773396.db2.gz SGIAWGJXHVRPIG-UHFFFAOYSA-N 1 0 350.394 2.312 20 30 FEEDRO C=CC[C@@H]1CC[N@@H+](C[C@@H]2CC3(CN(C(=O)OC(C)(C)C)C3)C(=O)O2)C1 ZINC000931162395 683843368 /nfs/dbraw/zinc/84/33/68/683843368.db2.gz ABOHYMREJWHWNW-CABCVRRESA-N 1 0 350.459 2.437 20 30 FEEDRO C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000865007108 683922184 /nfs/dbraw/zinc/92/21/84/683922184.db2.gz NACYAZOKESTFCR-JSGCOSHPSA-N 1 0 357.882 2.375 20 30 FEEDRO C[NH+](C)[C@@H]1[C@H]2CN(CCC(=O)Nc3sc4c(c3C#N)CCCC4)C[C@H]21 ZINC000931282885 684254119 /nfs/dbraw/zinc/25/41/19/684254119.db2.gz MAUFSJFLDRXJMC-HWWDLCQESA-N 1 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N#Cc1ccccc1OC[C@@H](O)C[NH2+]CCOC(F)(F)C(F)(F)F ZINC000872245166 684931518 /nfs/dbraw/zinc/93/15/18/684931518.db2.gz ZFSMMIBCGFCTOE-NSHDSACASA-N 1 0 354.275 2.059 20 30 FEEDRO C=CCNc1ncc(C(=O)N2CCC(C[N@@H+](CCO)C(C)C)CC2)s1 ZINC000910883355 685135180 /nfs/dbraw/zinc/13/51/80/685135180.db2.gz ONHVYYPVLYMTRP-UHFFFAOYSA-N 1 0 366.531 2.296 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H](Cc1ccccc1)C(=O)N(CC)CC ZINC000876557259 686219549 /nfs/dbraw/zinc/21/95/49/686219549.db2.gz DCIUSCHQJAKQML-JKSUJKDBSA-N 1 0 351.878 2.052 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N(CC(N)=O)[C@@H](C)c1ccc(CCC)cc1 ZINC000876620007 686229708 /nfs/dbraw/zinc/22/97/08/686229708.db2.gz IREQZIQEKNCJTQ-BBRMVZONSA-N 1 0 351.878 2.484 20 30 FEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCCN(C(=O)CCc2ccccc2)CC1 ZINC000876624665 686230943 /nfs/dbraw/zinc/23/09/43/686230943.db2.gz OVDXRGVRBZQSQT-QGZVFWFLSA-N 1 0 363.889 2.150 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N1CCN(Cc2cc(C)ccc2OC)CC1 ZINC000876712373 686250659 /nfs/dbraw/zinc/25/06/59/686250659.db2.gz PUENQXVTKWEUGD-INIZCTEOSA-N 1 0 351.878 2.118 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H]1CCN(c2cc(OC)cc(OC)c2)C1 ZINC000876777467 686266569 /nfs/dbraw/zinc/26/65/69/686266569.db2.gz NFTZYPIGHBPOCB-GUYCJALGSA-N 1 0 367.877 2.116 20 30 FEEDRO CCSc1ccc(CC(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)c(Br)c1 ZINC000876802245 686271625 /nfs/dbraw/zinc/27/16/25/686271625.db2.gz NIZDOGHXWRQDEW-FZMZJTMJSA-N 1 0 368.300 2.331 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NCCCc1nc(-c2ccc(F)cc2)no1 ZINC000876906112 686292320 /nfs/dbraw/zinc/29/23/20/686292320.db2.gz QRNXXEBHOHGBCF-ZDUSSCGKSA-N 1 0 352.797 2.394 20 30 FEEDRO Cn1ccnc1[C@@](O)(CC[NH2+]Cc1cc(C#N)cnc1Cl)C(F)(F)F ZINC000877146942 686332336 /nfs/dbraw/zinc/33/23/36/686332336.db2.gz XNYPDSLEUKGRKE-AWEZNQCLSA-N 1 0 373.766 2.270 20 30 FEEDRO N#Cc1cnc(Cl)c(CNCc2ccccc2C[N@H+]2CC[C@@H](O)C2)c1 ZINC000877191246 686337767 /nfs/dbraw/zinc/33/77/67/686337767.db2.gz MMZMMVMWCVPFEM-GOSISDBHSA-N 1 0 356.857 2.463 20 30 FEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@@](C)(Cc1ccc(Cl)cc1)C(=O)OC ZINC000877205246 686339830 /nfs/dbraw/zinc/33/98/30/686339830.db2.gz CRKSHEKOOOSNDL-CJNGLKHVSA-N 1 0 359.253 2.400 20 30 FEEDRO C[N@@H+]1CC[C@H]2CN(CCC(=O)Nc3sc4c(c3C#N)CCC4)CC[C@@H]21 ZINC000879575781 686860248 /nfs/dbraw/zinc/86/02/48/686860248.db2.gz OWORMDYGUMGIBS-BBRMVZONSA-N 1 0 358.511 2.463 20 30 FEEDRO N#Cc1ccsc1NC(=O)CCN1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000880210429 687015862 /nfs/dbraw/zinc/01/58/62/687015862.db2.gz ATSYQNDPKQMLQL-INIZCTEOSA-N 1 0 362.499 2.181 20 30 FEEDRO C#CCSCCNC(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000881136927 687112565 /nfs/dbraw/zinc/11/25/65/687112565.db2.gz KGSBVHUIXNVESE-GOSISDBHSA-N 1 0 358.511 2.459 20 30 FEEDRO CC1([NH+]2CCC2)CCN(S(=O)(=O)c2cccc(Cl)c2C#N)CC1 ZINC000882769299 687480714 /nfs/dbraw/zinc/48/07/14/687480714.db2.gz PVOKCVZJYZMHLS-UHFFFAOYSA-N 1 0 353.875 2.461 20 30 FEEDRO Cc1c(Cl)cnc(N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)c1C#N ZINC000882815673 687501178 /nfs/dbraw/zinc/50/11/78/687501178.db2.gz NLVHBKAAAQMYJD-UHFFFAOYSA-N 1 0 361.877 2.225 20 30 FEEDRO C=CCC[C@H]([NH2+]CCS(=O)(=O)NCc1ccccc1)[C@@H]1CCCO1 ZINC000883178013 687582722 /nfs/dbraw/zinc/58/27/22/687582722.db2.gz NMRJIXOBRGHZOX-ROUUACIJSA-N 1 0 352.500 2.209 20 30 FEEDRO [NH3+]CCN(CC(F)(F)F)S(=O)(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000883472077 687640723 /nfs/dbraw/zinc/64/07/23/687640723.db2.gz MUGQNJUDGLZTTR-UHFFFAOYSA-N 1 0 368.274 2.356 20 30 FEEDRO N#C[C@@H]1C[NH2+]CC12CC(C(=O)NCc1csc(Br)c1)C2 ZINC000884091427 687787621 /nfs/dbraw/zinc/78/76/21/687787621.db2.gz XLUKHHWONDQVJC-IQLKVPPVSA-N 1 0 354.273 2.266 20 30 FEEDRO CN(Cc1nc(C(F)(F)F)cs1)C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884164650 687805153 /nfs/dbraw/zinc/80/51/53/687805153.db2.gz MTDJPTPVJKCMCY-OPASDULOSA-N 1 0 358.389 2.260 20 30 FEEDRO N#C[C@@H]1C[NH2+]CC12CC(C(=O)NCc1cc(F)ccc1OC(F)F)C2 ZINC000884416685 687867413 /nfs/dbraw/zinc/86/74/13/687867413.db2.gz JWJNEFIBJXXVFX-VMBJYNEYSA-N 1 0 353.344 2.183 20 30 FEEDRO C[C@@H]1CN(c2cc[nH+]cc2)CCN1S(=O)(=O)c1ccccc1CC#N ZINC000885848183 688167827 /nfs/dbraw/zinc/16/78/27/688167827.db2.gz PLOUSOBLUSPBHT-OAHLLOKOSA-N 1 0 356.451 2.047 20 30 FEEDRO C#CCN(C(=O)c1cnc(Br)c(C)c1)C1CC[NH+](C)CC1 ZINC000886571350 688277625 /nfs/dbraw/zinc/27/76/25/688277625.db2.gz SEFSLCQHODLQJR-UHFFFAOYSA-N 1 0 350.260 2.322 20 30 FEEDRO C#CCN(C(=O)c1ccc(-n2cc[nH]c2=S)cc1)C1CC[NH+](C)CC1 ZINC000886583154 688279737 /nfs/dbraw/zinc/27/97/37/688279737.db2.gz DJSZNDZWKANWGQ-UHFFFAOYSA-N 1 0 354.479 2.331 20 30 FEEDRO C=CCOCC[N@@H+]1C[C@@H](C(=O)OC(C)(C)C)C2(CC(C(=O)OC)C2)C1 ZINC000886883447 688331744 /nfs/dbraw/zinc/33/17/44/688331744.db2.gz CKXQEYUMNNUVQC-HVEKOLDVSA-N 1 0 353.459 2.032 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)N1CC[C@H]2CC[C@@]21CNC(=O)OC(C)(C)C ZINC000890823450 688969303 /nfs/dbraw/zinc/96/93/03/688969303.db2.gz PPSDSQYUJAGONJ-DNVCBOLYSA-N 1 0 351.491 2.400 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)N1CCC[C@]12CCN(C(=O)OC(C)(C)C)C2 ZINC000891020246 689002936 /nfs/dbraw/zinc/00/29/36/689002936.db2.gz MOLWZWVSRMJFLP-LJQANCHMSA-N 1 0 351.491 2.496 20 30 FEEDRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N(C)Cc2cc(C#N)cs2)C1 ZINC000891598142 689081776 /nfs/dbraw/zinc/08/17/76/689081776.db2.gz OUBOGCDSZQKAGP-HNNXBMFYSA-N 1 0 350.488 2.118 20 30 FEEDRO CC(C)[C@H](CNC(=O)N(C)Cc1cc(C#N)cs1)[NH+]1CCN(C)CC1 ZINC000891752420 689101306 /nfs/dbraw/zinc/10/13/06/689101306.db2.gz IRGKTBQTXCHSHO-KRWDZBQOSA-N 1 0 363.531 2.033 20 30 FEEDRO CO[C@]1(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)CCSC1 ZINC000892417045 689193259 /nfs/dbraw/zinc/19/32/59/689193259.db2.gz FPTOJMKZRJZNJR-LJQANCHMSA-N 1 0 359.495 2.161 20 30 FEEDRO C#C[C@H](NC(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2)c1ccc(Cl)cc1 ZINC000892761211 689239888 /nfs/dbraw/zinc/23/98/88/689239888.db2.gz YAYWQMXGBSEZOT-IRXDYDNUSA-N 1 0 361.873 2.472 20 30 FEEDRO C[C@]1(Br)C[C@H]1C[NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000894005542 689447667 /nfs/dbraw/zinc/44/76/67/689447667.db2.gz KSUOIQOIIVRERK-ZOBUZTSGSA-N 1 0 362.271 2.422 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCc3ccsc3[C@@H]2C)CC1 ZINC000897674807 690061342 /nfs/dbraw/zinc/06/13/42/690061342.db2.gz ITZGPCAMCIWFHH-AWEZNQCLSA-N 1 0 361.511 2.351 20 30 FEEDRO C#CCOc1ccc(C[NH+]2CCC(CN=[S@@](C)(=O)N(C)C)CC2)cc1 ZINC000898398148 690174943 /nfs/dbraw/zinc/17/49/43/690174943.db2.gz CMECCCYYNSKXMP-RUZDIDTESA-N 1 0 363.527 2.485 20 30 FEEDRO C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC([NH+]2CCCC2)C1 ZINC000898597403 690215882 /nfs/dbraw/zinc/21/58/82/690215882.db2.gz HFRYEDFDHFZBFZ-AWEZNQCLSA-N 1 0 357.882 2.329 20 30 FEEDRO C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC([NH+]2CCCC2)C1 ZINC000898597405 690216080 /nfs/dbraw/zinc/21/60/80/690216080.db2.gz HFRYEDFDHFZBFZ-CQSZACIVSA-N 1 0 357.882 2.329 20 30 FEEDRO C[NH+](C)CC(C)(C)CNC(=S)N1CCO[C@@H](c2ccc(C#N)cc2)C1 ZINC000899636029 690394577 /nfs/dbraw/zinc/39/45/77/690394577.db2.gz VQTSTRAYKBROHM-QGZVFWFLSA-N 1 0 360.527 2.394 20 30 FEEDRO C[N@@H+]1CCC[C@](O)(CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC000900071070 690468860 /nfs/dbraw/zinc/46/88/60/690468860.db2.gz HLPBBTJZIBUOFN-KRWDZBQOSA-N 1 0 354.372 2.020 20 30 FEEDRO C=C(Cl)C[C@@H]1NC(=O)N(C[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)C1=O ZINC000900184385 690481084 /nfs/dbraw/zinc/48/10/84/690481084.db2.gz BIMSEXDAZSLIST-JKSUJKDBSA-N 1 0 364.877 2.418 20 30 FEEDRO Cc1nc(NC(=O)c2ccnn2CC[NH+](C)C)sc1SCC#N ZINC000900479945 690522078 /nfs/dbraw/zinc/52/20/78/690522078.db2.gz GQRCOVNKNLGPSS-UHFFFAOYSA-N 1 0 350.473 2.078 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)N1CCC[C@H](C2N=NC(=S)N2C(C)C)C1 ZINC000900663848 690544896 /nfs/dbraw/zinc/54/48/96/690544896.db2.gz GXFUDVRRTUFUBQ-AWEZNQCLSA-N 1 0 351.520 2.362 20 30 FEEDRO C=CCNc1ncc(C(=O)NCCCC[NH+]2C[C@H](C)O[C@@H](C)C2)s1 ZINC000900979933 690595939 /nfs/dbraw/zinc/59/59/39/690595939.db2.gz FWPXJRAIRPEHOM-KBPBESRZSA-N 1 0 352.504 2.360 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)Nc1cccc(S(=O)(=O)N[C@H](C)CC)c1 ZINC000901092665 690611989 /nfs/dbraw/zinc/61/19/89/690611989.db2.gz XYGFOEIMJAHLPY-CQSZACIVSA-N 1 0 353.488 2.210 20 30 FEEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCCNC(=O)C1CC1 ZINC000901423664 690645706 /nfs/dbraw/zinc/64/57/06/690645706.db2.gz BWHZEYDOGIUEFF-UHFFFAOYSA-N 1 0 363.531 2.111 20 30 FEEDRO C#CCN(Cn1sc2nc(C)c(C)c(C)c2c1=O)C1CC[NH+](C)CC1 ZINC000902539975 690776629 /nfs/dbraw/zinc/77/66/29/690776629.db2.gz QZYYAZFHSHZHPH-UHFFFAOYSA-N 1 0 358.511 2.370 20 30 FEEDRO C[C@H]([NH3+])C1CCN(S(=O)(=O)c2ccc(Br)c(C#N)c2)CC1 ZINC000903485373 690898912 /nfs/dbraw/zinc/89/89/12/690898912.db2.gz DDJRRLVUQKLMQB-JTQLQIEISA-N 1 0 372.288 2.069 20 30 FEEDRO N#Cc1sccc1S(=O)(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1 ZINC000903508084 690904617 /nfs/dbraw/zinc/90/46/17/690904617.db2.gz UITRTAQFNZLTNX-KBPBESRZSA-N 1 0 365.455 2.183 20 30 FEEDRO C=C1CCC(C(=O)Nc2cccc(S(=O)(=O)NCC[NH+](C)C)c2)CC1 ZINC000907401807 691472478 /nfs/dbraw/zinc/47/24/78/691472478.db2.gz WIOPBKOCXSBDHU-UHFFFAOYSA-N 1 0 365.499 2.211 20 30 FEEDRO C=C(C)Cn1c([C@H](C)OCCOC)nnc1N1CC[N@H+](C)C(C)(C)C1 ZINC000909231571 691797915 /nfs/dbraw/zinc/79/79/15/691797915.db2.gz CYGSYVUCPDFXNV-HNNXBMFYSA-N 1 0 351.495 2.109 20 30 FEEDRO N#Cc1c(Cl)nc(Cl)cc1C(F)(F)N1CC[C@@H]2[NH2+]CCO[C@H]2C1 ZINC001164390806 718821083 /nfs/dbraw/zinc/82/10/83/718821083.db2.gz RGWPPWKFWWBZQR-QWRGUYRKSA-N 1 0 363.195 2.372 20 30 FEEDRO CCOC(=O)c1cc(C#N)c(Cl)nc1C(F)(F)N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001164412222 718874954 /nfs/dbraw/zinc/87/49/54/718874954.db2.gz UMXJYNHBSUNWGV-NWDGAFQWSA-N 1 0 370.787 2.269 20 30 FEEDRO Cc1nc(C#N)cnc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164839296 720584918 /nfs/dbraw/zinc/58/49/18/720584918.db2.gz NDSMYJHYIGIUAS-QXAKKESOSA-N 1 0 365.485 2.231 20 30 FEEDRO Cc1nc(C#N)cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)n1 ZINC001164839485 720643857 /nfs/dbraw/zinc/64/38/57/720643857.db2.gz NKJSQFSSYPLJNZ-YTQUADARSA-N 1 0 365.485 2.231 20 30 FEEDRO COCC[N@@H+]1CCO[C@@H]2CN(c3ccc(C4(C#N)CCC4)cn3)CC[C@H]2C1 ZINC001164862202 720854694 /nfs/dbraw/zinc/85/46/94/720854694.db2.gz ZKIMBZPIMYIIHY-PKOBYXMFSA-N 1 0 370.497 2.200 20 30 FEEDRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ccc5c(C#N)c[nH]c5n4)C[C@H]3C2)cn1 ZINC001164773299 721147894 /nfs/dbraw/zinc/14/78/94/721147894.db2.gz YBPNVZWBYRZPEN-NVXWUHKLSA-N 1 0 361.453 2.126 20 30 FEEDRO Cc1nc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)cnc1C#N ZINC001164912379 721548505 /nfs/dbraw/zinc/54/85/05/721548505.db2.gz ZJXHWTNLUGLBPD-NVXWUHKLSA-N 1 0 353.401 2.138 20 30 FEEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cnc(C#N)c(C#N)n3)C[C@H]21 ZINC001165026288 721825845 /nfs/dbraw/zinc/82/58/45/721825845.db2.gz OOLSGXQPPORLDI-WRWLIDTKSA-N 1 0 373.464 2.352 20 30 FEEDRO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2C(F)(F)c1ccc(C#N)c(Cl)n1 ZINC001164926617 721849776 /nfs/dbraw/zinc/84/97/76/721849776.db2.gz IEFUHMREEJIWGD-KBPBESRZSA-N 1 0 369.847 2.366 20 30 FEEDRO Cc1ccc(C#N)c(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164982313 722105925 /nfs/dbraw/zinc/10/59/25/722105925.db2.gz NKMIKTUPVATYIY-VQTJNVASSA-N 1 0 363.465 2.384 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1ccc(OCC(N)=O)cc1)C(C)C ZINC000045697798 540222291 /nfs/dbraw/zinc/22/22/91/540222291.db2.gz WMVPHSOPTPIMQT-GOSISDBHSA-N 1 0 374.485 2.371 20 30 FEEDRO N#Cc1ccc(NC(=O)C[NH2+][C@@H](C2CC2)[C@]2(CO)CCCO2)cc1Cl ZINC000550502332 674099028 /nfs/dbraw/zinc/09/90/28/674099028.db2.gz HCJFQPDEHOAANR-ZWKOTPCHSA-N 1 0 363.845 2.060 20 30 FEEDRO Cc1noc(CCCC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)n1 ZINC000047011569 540284568 /nfs/dbraw/zinc/28/45/68/540284568.db2.gz SLGFGLPYBZEHAZ-UHFFFAOYSA-N 1 0 355.442 2.163 20 30 FEEDRO CC(C)[C@@H](CNC(=O)CSCc1ccc(C#N)cc1)N1CC[NH+](C)CC1 ZINC000048131688 540346574 /nfs/dbraw/zinc/34/65/74/540346574.db2.gz AMVHZGFGFRIAKM-LJQANCHMSA-N 1 0 374.554 2.180 20 30 FEEDRO N#Cc1cccc(NC(=O)C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)c1 ZINC000048852247 540375165 /nfs/dbraw/zinc/37/51/65/540375165.db2.gz LKBAKFDNUXEXTR-IBGZPJMESA-N 1 0 362.433 2.450 20 30 FEEDRO CC1(C)CC(NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)CC(C)(C)[NH2+]1 ZINC000050098984 540399259 /nfs/dbraw/zinc/39/92/59/540399259.db2.gz SZOIEMWGAARZFH-UHFFFAOYSA-N 1 0 370.501 2.094 20 30 FEEDRO C[C@@H]1CN(C(=O)C2CC[NH+](CCOc3cccc(C#N)c3)CC2)C[C@@H](C)O1 ZINC000051765461 540443715 /nfs/dbraw/zinc/44/37/15/540443715.db2.gz NEKBQSISXMCBKN-IAGOWNOFSA-N 1 0 371.481 2.285 20 30 FEEDRO CCN(C[C@H](C)C#N)C(=O)CN1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000052409180 540464974 /nfs/dbraw/zinc/46/49/74/540464974.db2.gz YVZQBOGLFJOXHX-GOSISDBHSA-N 1 0 367.497 2.074 20 30 FEEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NCCC[N@H+]1CCCC[C@@H]1C ZINC000052842963 540492513 /nfs/dbraw/zinc/49/25/13/540492513.db2.gz GYXUHYVLEMWSGU-AWEZNQCLSA-N 1 0 358.486 2.177 20 30 FEEDRO N#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@H](C(=O)NCC3CC3)C2)cc1 ZINC000052931279 540500579 /nfs/dbraw/zinc/50/05/79/540500579.db2.gz KEKXWHIGKRIHBG-KRWDZBQOSA-N 1 0 354.454 2.125 20 30 FEEDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000076299100 542257321 /nfs/dbraw/zinc/25/73/21/542257321.db2.gz LWPHIQCFWIPVBH-CYBMUJFWSA-N 1 0 368.359 2.116 20 30 FEEDRO N#Cc1cccnc1N1CCC[N@@H+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000057104991 540768520 /nfs/dbraw/zinc/76/85/20/540768520.db2.gz PHUJSWBGZQGDAO-UHFFFAOYSA-N 1 0 352.394 2.100 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N=c2cc(C)n([C@@H](C)CC)[nH]2)CC1 ZINC000538379615 540850205 /nfs/dbraw/zinc/85/02/05/540850205.db2.gz XNTNDBHRPXWQDO-AWEZNQCLSA-N 1 0 361.490 2.258 20 30 FEEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000058920451 540859949 /nfs/dbraw/zinc/85/99/49/540859949.db2.gz OKXYZXKPYZCOOT-SFHVURJKSA-N 1 0 357.502 2.433 20 30 FEEDRO CC[N@H+](CC(=O)N1CCC[C@H](NC(C)=O)C1)[C@@H](C)c1ccc(C#N)cc1 ZINC000060469408 541113375 /nfs/dbraw/zinc/11/33/75/541113375.db2.gz WLOSGZDXUOXYCA-KXBFYZLASA-N 1 0 356.470 2.068 20 30 FEEDRO N#Cc1ccc(N2CC[NH+](CCC(=O)Nc3ccccc3F)CC2)nc1 ZINC000060480645 541114200 /nfs/dbraw/zinc/11/42/00/541114200.db2.gz KUDCJCLXZZAMNY-UHFFFAOYSA-N 1 0 353.401 2.243 20 30 FEEDRO N#Cc1ccc(NC(=O)CC[N@@H+]2CCCN(c3ncccc3C#N)CC2)cc1 ZINC000064633065 541213257 /nfs/dbraw/zinc/21/32/57/541213257.db2.gz DSAJIEBTHWOZKV-UHFFFAOYSA-N 1 0 374.448 2.366 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)CCCn1c2ccccc2oc1=O ZINC000064361981 541203227 /nfs/dbraw/zinc/20/32/27/541203227.db2.gz NITJAVDMXOEGDT-UHFFFAOYSA-N 1 0 358.442 2.069 20 30 FEEDRO CC[NH+]1CCC(NC(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CC1 ZINC000541907726 541296131 /nfs/dbraw/zinc/29/61/31/541296131.db2.gz FGEKLKKWKFYJIS-UHFFFAOYSA-N 1 0 356.405 2.489 20 30 FEEDRO CC1CCC(N2C[C@@H](C(=O)N(CCC#N)CCC[NH+](C)C)CC2=O)CC1 ZINC000066829383 541376696 /nfs/dbraw/zinc/37/66/96/541376696.db2.gz RQIOLQYXMQGQOT-ADKAHSJRSA-N 1 0 362.518 2.108 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N(CCC)C[C@@H]2COc3ccccc3O2)CC1 ZINC000067163796 541427579 /nfs/dbraw/zinc/42/75/79/541427579.db2.gz MXUQLKWMJVUPKG-GOSISDBHSA-N 1 0 356.466 2.410 20 30 FEEDRO CC(=O)NC[C@H]1CCC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000067414819 541459728 /nfs/dbraw/zinc/45/97/28/541459728.db2.gz GFXDVJFFPBCVFH-CQSZACIVSA-N 1 0 374.510 2.285 20 30 FEEDRO C[C@@H]1CCCCN1S(=O)(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000068350499 541580683 /nfs/dbraw/zinc/58/06/83/541580683.db2.gz KQYFQJQEKZHXOE-MRXNPFEDSA-N 1 0 364.515 2.041 20 30 FEEDRO C[C@H](NC(=O)C1CCCC1)C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000068501204 541600440 /nfs/dbraw/zinc/60/04/40/541600440.db2.gz BKKMRZROLAANMP-INIZCTEOSA-N 1 0 370.497 2.143 20 30 FEEDRO C=CCOc1ccccc1C[NH2+]CCS(=O)(=O)NCc1ccccc1 ZINC000069065391 541652909 /nfs/dbraw/zinc/65/29/09/541652909.db2.gz RWYVLCMFMSMBJS-UHFFFAOYSA-N 1 0 360.479 2.461 20 30 FEEDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H](Oc1ccccc1C#N)C(C)C ZINC000069500699 541691467 /nfs/dbraw/zinc/69/14/67/541691467.db2.gz FAKDNDXNOUSMDV-PKOBYXMFSA-N 1 0 359.470 2.189 20 30 FEEDRO N#Cc1ccc(NC(=O)C(=O)N[C@H]2CCC[N@@H+](C3CCCCC3)C2)cc1 ZINC000069553670 541696625 /nfs/dbraw/zinc/69/66/25/541696625.db2.gz HEUKEFHEVKIULT-KRWDZBQOSA-N 1 0 354.454 2.410 20 30 FEEDRO C=CCNC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(S(=O)(=O)N(CC)CC)cc1 ZINC000070753095 541740689 /nfs/dbraw/zinc/74/06/89/541740689.db2.gz ROPQYJHBWMOODN-CABCVRRESA-N 1 0 367.515 2.058 20 30 FEEDRO NC(=[NH+]OCC(=O)NCc1ccco1)c1ccc(N2CCCCC2)cc1 ZINC000072921473 541893948 /nfs/dbraw/zinc/89/39/48/541893948.db2.gz DSGBZMKOOZOJNV-UHFFFAOYSA-N 1 0 356.426 2.223 20 30 FEEDRO Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000545197715 541899940 /nfs/dbraw/zinc/89/99/40/541899940.db2.gz BZVGLDKYYGCOSK-INIZCTEOSA-N 1 0 367.457 2.299 20 30 FEEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(CCc2ccc(O)cc2)CC1 ZINC000073893783 542011749 /nfs/dbraw/zinc/01/17/49/542011749.db2.gz RGAVGRQGAYQVPS-HNNXBMFYSA-N 1 0 359.470 2.437 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N(C)[C@@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000074132528 542040662 /nfs/dbraw/zinc/04/06/62/542040662.db2.gz QNIPMONPAQGJKT-GOSISDBHSA-N 1 0 356.470 2.084 20 30 FEEDRO CCOc1ccc(N(CCC#N)C(=O)CCN2CC[NH+](CC)CC2)cc1 ZINC000074350005 542072519 /nfs/dbraw/zinc/07/25/19/542072519.db2.gz VVHFAZDPVUBJCZ-UHFFFAOYSA-N 1 0 358.486 2.360 20 30 FEEDRO Cc1c[nH+]ccc1N1CCC(C(=O)Nc2nc3n(c2C#N)CCS3)CC1 ZINC000074806629 542123722 /nfs/dbraw/zinc/12/37/22/542123722.db2.gz ZDWNZARIPJFRTF-UHFFFAOYSA-N 1 0 368.466 2.419 20 30 FEEDRO C[C@@H](NC(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1)c1cccc(C#N)c1 ZINC000074918309 542135971 /nfs/dbraw/zinc/13/59/71/542135971.db2.gz MTGGVTZMRNHAOR-YLJYHZDGSA-N 1 0 369.513 2.431 20 30 FEEDRO N#CCSCCC[NH+]1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000074990850 542143585 /nfs/dbraw/zinc/14/35/85/542143585.db2.gz ZVDGZXHVBJFYGL-SFHVURJKSA-N 1 0 358.511 2.056 20 30 FEEDRO COCC[N@H+](C)CCOc1cccc(CNC(=O)C2(C#N)CCCC2)c1 ZINC000075579288 542189785 /nfs/dbraw/zinc/18/97/85/542189785.db2.gz WXKUNNBDEQAKOW-UHFFFAOYSA-N 1 0 359.470 2.344 20 30 FEEDRO C=CCNC(=O)NC(=O)C[N@H+](Cc1ccc2c(c1)CCO2)C1CCCC1 ZINC000076343000 542264844 /nfs/dbraw/zinc/26/48/44/542264844.db2.gz ZWIUODDJMVNPLY-UHFFFAOYSA-N 1 0 357.454 2.378 20 30 FEEDRO C=CCCC[N@@H+](C)CC(=O)N1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000076735710 542319443 /nfs/dbraw/zinc/31/94/43/542319443.db2.gz MXDBYOLBMRTOBK-UHFFFAOYSA-N 1 0 359.518 2.455 20 30 FEEDRO N#CCCn1cc(C[NH2+]C[C@@H](O)C2CCOCC2)c(-c2ccccc2)n1 ZINC000076907266 542328463 /nfs/dbraw/zinc/32/84/63/542328463.db2.gz RIOYGODUBNNIDA-LJQANCHMSA-N 1 0 354.454 2.341 20 30 FEEDRO C[NH+]1CCC(C#N)(NC(=O)Cn2c3ccccc3nc2C(F)(F)F)CC1 ZINC000077037521 542342804 /nfs/dbraw/zinc/34/28/04/542342804.db2.gz MVUHNCPZENOIOV-UHFFFAOYSA-N 1 0 365.359 2.159 20 30 FEEDRO N#Cc1cccc([C@@H]2C[C@H]2C(=O)NCC2([NH+]3CCCC3)CCOCC2)c1 ZINC000081686516 542673067 /nfs/dbraw/zinc/67/30/67/542673067.db2.gz MCCAPDBXVXTHNT-RBUKOAKNSA-N 1 0 353.466 2.423 20 30 FEEDRO CC(C)OCC[NH+]1CCC(NC(=O)[C@H](C)Oc2ccc(C#N)cc2)CC1 ZINC000081998058 542682372 /nfs/dbraw/zinc/68/23/72/542682372.db2.gz NASFGOBUCDHSHR-INIZCTEOSA-N 1 0 359.470 2.331 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC(OC[C@@H]3CCCO3)CC2)CC1 ZINC000083651106 542699567 /nfs/dbraw/zinc/69/95/67/542699567.db2.gz MSJDZVYPJPKWJT-IBGZPJMESA-N 1 0 365.518 2.397 20 30 FEEDRO CC(=O)N1CCc2cc(NC(=O)N(CCC#N)CCC[NH+](C)C)ccc21 ZINC000086281363 542734714 /nfs/dbraw/zinc/73/47/14/542734714.db2.gz APLUFEJMNSOFAD-UHFFFAOYSA-N 1 0 357.458 2.295 20 30 FEEDRO [NH2+]=C(NC[C@H]1CN2CCCC[C@@H]2CO1)Nc1ccccc1OC(F)(F)F ZINC000090064906 542781412 /nfs/dbraw/zinc/78/14/12/542781412.db2.gz DLEDRHBOJNQJKS-OLZOCXBDSA-N 1 0 372.391 2.374 20 30 FEEDRO CS(=O)(=O)Nc1ccc(OCCNC(=[NH2+])NC2CCCCCC2)cc1 ZINC000090989664 542789835 /nfs/dbraw/zinc/78/98/35/542789835.db2.gz YDGVWBMZNZIHLH-UHFFFAOYSA-N 1 0 368.503 2.064 20 30 FEEDRO C=CCOc1ccc(C[N@H+](C)C2CCN(S(C)(=O)=O)CC2)cc1OC ZINC000091963890 542834258 /nfs/dbraw/zinc/83/42/58/542834258.db2.gz ZUIKUEMLDUZICN-UHFFFAOYSA-N 1 0 368.499 2.116 20 30 FEEDRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(Cc2cnc3ccc(C#N)cn23)CC1 ZINC000092665072 542879438 /nfs/dbraw/zinc/87/94/38/542879438.db2.gz ZBYFCKQZPBBGAP-QZTJIDSGSA-N 1 0 366.513 2.196 20 30 FEEDRO COC(=O)[C@H]1CCC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000103481571 543111360 /nfs/dbraw/zinc/11/13/60/543111360.db2.gz HDVINMDHCCITQE-LBPRGKRZSA-N 1 0 361.467 2.322 20 30 FEEDRO C[NH+]1CCC(CCNC(=O)N2CCN(c3cccc(F)c3C#N)CC2)CC1 ZINC000103320595 543103378 /nfs/dbraw/zinc/10/33/78/543103378.db2.gz FMTFYUGYYWNCCM-UHFFFAOYSA-N 1 0 373.476 2.261 20 30 FEEDRO COc1ccc(C[N@H+](C)C[C@@H](O)COc2ccc(C#N)cc2)c(OC)c1 ZINC000104731902 543140574 /nfs/dbraw/zinc/14/05/74/543140574.db2.gz BKWWGPHWXHPYBH-QGZVFWFLSA-N 1 0 356.422 2.447 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cc(NC(C)=O)cc(NC(C)=O)c2)CC1 ZINC000106037887 543186061 /nfs/dbraw/zinc/18/60/61/543186061.db2.gz JZMYATKWUCXCCN-UHFFFAOYSA-N 1 0 372.469 2.374 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C2CCN(C(=O)c3ccoc3)CC2)CC1 ZINC000106036923 543186110 /nfs/dbraw/zinc/18/61/10/543186110.db2.gz VSEJXMQJNSOVHS-UHFFFAOYSA-N 1 0 359.470 2.289 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C[C@H](NC(N)=O)c2cccc(C)c2)CC1 ZINC000106036817 543186302 /nfs/dbraw/zinc/18/63/02/543186302.db2.gz IUVGIXXHCLAMJF-SFHVURJKSA-N 1 0 358.486 2.251 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccccc2OCCC(N)=O)CC1 ZINC000106322165 543223150 /nfs/dbraw/zinc/22/31/50/543223150.db2.gz RSSYJCDVTCIOBI-UHFFFAOYSA-N 1 0 360.458 2.103 20 30 FEEDRO CC1CC[NH+]([C@H](CNC(=O)N2CCO[C@H](C#N)C2)c2cccs2)CC1 ZINC000106328502 543223313 /nfs/dbraw/zinc/22/33/13/543223313.db2.gz SDCDMJRSLCLGNC-HZPDHXFCSA-N 1 0 362.499 2.455 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cc(NC(C)=O)ccc2C)CC1 ZINC000106349245 543224819 /nfs/dbraw/zinc/22/48/19/543224819.db2.gz FDQBCUYXSQSJOE-UHFFFAOYSA-N 1 0 372.469 2.049 20 30 FEEDRO CC(C)(C)OC(=O)N[C@H]1CCN([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000106869467 543251759 /nfs/dbraw/zinc/25/17/59/543251759.db2.gz QDSYMQALGYVSOR-DOTOQJQBSA-N 1 0 370.453 2.263 20 30 FEEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CCN(C2CC2)CC1 ZINC000109035705 543311579 /nfs/dbraw/zinc/31/15/79/543311579.db2.gz HBJMCWFSFFGEES-AWEZNQCLSA-N 1 0 372.494 2.326 20 30 FEEDRO C[C@H]1C[NH+](Cc2ccc(CNC(=O)C3(C#N)CCOCC3)cc2)C[C@H](C)O1 ZINC000109139696 543315478 /nfs/dbraw/zinc/31/54/78/543315478.db2.gz DJVVZGDVLOAFNN-IRXDYDNUSA-N 1 0 371.481 2.232 20 30 FEEDRO C=CCN1C(=O)c2ccc(C(=O)NC[C@@H]3CCCC[N@H+]3CC)cc2C1=O ZINC000110998303 543378485 /nfs/dbraw/zinc/37/84/85/543378485.db2.gz YGZYNVMWKQWQPW-HNNXBMFYSA-N 1 0 355.438 2.073 20 30 FEEDRO C=CC1CC[NH+]([C@@H](C)C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)CC1 ZINC000111257829 543389714 /nfs/dbraw/zinc/38/97/14/543389714.db2.gz WDMLEKJYSHETOS-NSHDSACASA-N 1 0 369.387 2.445 20 30 FEEDRO COc1ccc(OC)c(C[N@H+](CCO)CCOc2ccccc2C#N)c1 ZINC000111271034 543391237 /nfs/dbraw/zinc/39/12/37/543391237.db2.gz UEOZWJQWKNFTGH-UHFFFAOYSA-N 1 0 356.422 2.449 20 30 FEEDRO N#Cc1ccc(C(=O)Nc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)nc1 ZINC000112255908 543436341 /nfs/dbraw/zinc/43/63/41/543436341.db2.gz PVRKIEAFHCCNDS-UHFFFAOYSA-N 1 0 363.421 2.031 20 30 FEEDRO CN(CC[NH+]1CCCC1)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000112750134 543462998 /nfs/dbraw/zinc/46/29/98/543462998.db2.gz ZMXXCWUOOIRZFI-KRWDZBQOSA-N 1 0 373.476 2.403 20 30 FEEDRO C#CCCOc1ccc(C[NH2+]C[C@]2(N3CCOCC3)CCSC2)cc1 ZINC000113326475 543483814 /nfs/dbraw/zinc/48/38/14/543483814.db2.gz IMYHOLJXJYVHCQ-HXUWFJFHSA-N 1 0 360.523 2.386 20 30 FEEDRO CCN1CC[NH+](CCCCNC(=O)/C=C/c2ccc(OCC#N)cc2)CC1 ZINC000114378856 543512111 /nfs/dbraw/zinc/51/21/11/543512111.db2.gz SKEKLEUPVLYDAM-JXMROGBWSA-N 1 0 370.497 2.136 20 30 FEEDRO N#C[C@H]1CN(C(=O)NCCCC[NH+]2CCCC2)CCN1Cc1ccccc1 ZINC000114587841 543525134 /nfs/dbraw/zinc/52/51/34/543525134.db2.gz LVKIJKBZFUSSIB-FQEVSTJZSA-N 1 0 369.513 2.282 20 30 FEEDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2ccccc2OCC#N)[C@H](C)C1 ZINC000115273540 543557474 /nfs/dbraw/zinc/55/74/74/543557474.db2.gz DGLHHNRLCRVWEK-AEFFLSMTSA-N 1 0 359.470 2.456 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCNC(=O)C[C@H]2c2ccccc2)CC1 ZINC000114960519 543547862 /nfs/dbraw/zinc/54/78/62/543547862.db2.gz JSHSJPSQDDXONS-IBGZPJMESA-N 1 0 370.497 2.300 20 30 FEEDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)CNc2ccc(C#N)cc2)[C@H](C)C1 ZINC000115486666 543570372 /nfs/dbraw/zinc/57/03/72/543570372.db2.gz FRBHIQVKHSFQEI-APWZRJJASA-N 1 0 358.486 2.223 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(OCC(C)C)nc2)CC1 ZINC000117065155 543622690 /nfs/dbraw/zinc/62/26/90/543622690.db2.gz PMHNSHGJBKRUGM-UHFFFAOYSA-N 1 0 374.485 2.212 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N[C@H]2CCCN(c3cccc(OC)c3)C2)CC1 ZINC000117180213 543624640 /nfs/dbraw/zinc/62/46/40/543624640.db2.gz JHTDMLIDFRNJSN-SFHVURJKSA-N 1 0 355.482 2.125 20 30 FEEDRO C[C@@H](c1ccc(C#N)cc1)[NH+]1CCN(c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000118393233 543651474 /nfs/dbraw/zinc/65/14/74/543651474.db2.gz PWCMJYIIMACXBF-HNNXBMFYSA-N 1 0 370.478 2.089 20 30 FEEDRO COCC[NH+]1CCN(Cc2cn(CCC#N)nc2-c2ccccc2)CC1 ZINC000120904261 543685841 /nfs/dbraw/zinc/68/58/41/543685841.db2.gz XLFBSSISTSJXTB-UHFFFAOYSA-N 1 0 353.470 2.228 20 30 FEEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc(-n2cccn2)ccn1 ZINC000121131622 543689468 /nfs/dbraw/zinc/68/94/68/543689468.db2.gz QXHZLMKGPAECMO-UHFFFAOYSA-N 1 0 374.448 2.343 20 30 FEEDRO COC(=O)[C@H](C)C[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)Cc1ccccc1 ZINC000121090638 543689551 /nfs/dbraw/zinc/68/95/51/543689551.db2.gz MGJAZJHAHMEHFL-OXQOHEQNSA-N 1 0 359.470 2.352 20 30 FEEDRO C=CCC[C@H](O)C[NH+]1CCN(Cc2ccc(OC)c(OC)c2OC)CC1 ZINC000121375690 543693520 /nfs/dbraw/zinc/69/35/20/543693520.db2.gz UHWIQJFFIAZZAP-KRWDZBQOSA-N 1 0 364.486 2.157 20 30 FEEDRO C=CC[C@H](C)NC(=O)C(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1 ZINC000118948560 543661604 /nfs/dbraw/zinc/66/16/04/543661604.db2.gz NRHLSPNVHYFQBE-INIZCTEOSA-N 1 0 372.513 2.484 20 30 FEEDRO C[NH+]=C(NCc1nc(C(C)(C)C)cs1)N1CCN(c2ncccn2)CC1 ZINC000119311290 543666267 /nfs/dbraw/zinc/66/62/67/543666267.db2.gz AXKPHEUJODKMSA-UHFFFAOYSA-N 1 0 373.530 2.128 20 30 FEEDRO C[C@@H]1CCC[N@@H+]1C1CCN(C(=O)C(=O)Nc2ccc(CC#N)cc2)CC1 ZINC000121800736 543699789 /nfs/dbraw/zinc/69/97/89/543699789.db2.gz CNRPIJXWNNVRAD-OAHLLOKOSA-N 1 0 354.454 2.166 20 30 FEEDRO C=CCOc1cccc(NC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000120560730 543681759 /nfs/dbraw/zinc/68/17/59/543681759.db2.gz GRNBZAQDQCBWMP-YJBOKZPZSA-N 1 0 357.454 2.133 20 30 FEEDRO CCC[C@@H]1CN(CC(=O)N(C)C2(C#N)CCCCC2)CC[N@@H+]1CCOC ZINC000121880489 543701004 /nfs/dbraw/zinc/70/10/04/543701004.db2.gz KRIFZSTWQLIHEL-GOSISDBHSA-N 1 0 364.534 2.104 20 30 FEEDRO N#CCOc1ccccc1C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000122036234 543702623 /nfs/dbraw/zinc/70/26/23/543702623.db2.gz WHHYQWYRNYBQHF-ZWKOTPCHSA-N 1 0 357.454 2.087 20 30 FEEDRO C=CCn1c(SCC(=O)NCCC[NH+](C)C)nnc1-c1ccoc1C ZINC000124520367 543827225 /nfs/dbraw/zinc/82/72/25/543827225.db2.gz NFKRJXYYRIOQKR-UHFFFAOYSA-N 1 0 363.487 2.193 20 30 FEEDRO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000123993587 543795394 /nfs/dbraw/zinc/79/53/94/543795394.db2.gz DRQUQCVOHQTGQF-HXUWFJFHSA-N 1 0 354.498 2.467 20 30 FEEDRO C[C@H]1C[C@@H](NS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)CN1C1CC1 ZINC000124070602 543799281 /nfs/dbraw/zinc/79/92/81/543799281.db2.gz VZCJNNAVYHMURQ-CMPLNLGQSA-N 1 0 373.400 2.481 20 30 FEEDRO C[NH+](C)CCOc1ccc(NC(=O)C(=O)Nc2cccc(C#N)c2)cc1 ZINC000125328391 543875151 /nfs/dbraw/zinc/87/51/51/543875151.db2.gz LRXFIAFFIGQKPD-UHFFFAOYSA-N 1 0 352.394 2.076 20 30 FEEDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2c(F)cc(C#N)cc2F)[C@H](C)C1 ZINC000125647776 543893944 /nfs/dbraw/zinc/89/39/44/543893944.db2.gz FYEBJMIGXKTTNU-IAQYHMDHSA-N 1 0 357.426 2.187 20 30 FEEDRO C[C@]1(CNC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)CCCO1 ZINC000126970536 543965843 /nfs/dbraw/zinc/96/58/43/543965843.db2.gz IGLHFXLHPUTNOW-HXUWFJFHSA-N 1 0 356.470 2.345 20 30 FEEDRO C[C@@]1(CNC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)CCCO1 ZINC000126970787 543965934 /nfs/dbraw/zinc/96/59/34/543965934.db2.gz IGLHFXLHPUTNOW-FQEVSTJZSA-N 1 0 356.470 2.345 20 30 FEEDRO C[NH+]=C(NCc1oc2ccc(F)cc2c1C)N[C@H]1CCc2ncnn2C1 ZINC000128527633 544057641 /nfs/dbraw/zinc/05/76/41/544057641.db2.gz KRRQPGJTTLUMRY-ZDUSSCGKSA-N 1 0 356.405 2.152 20 30 FEEDRO CC[NH+]=C(NCCc1cc2ccccc2o1)N[C@H]1CCc2ncnn2C1 ZINC000128558381 544059842 /nfs/dbraw/zinc/05/98/42/544059842.db2.gz TVWQUTKFYYHXHX-HNNXBMFYSA-N 1 0 352.442 2.137 20 30 FEEDRO C[NH+]=C(NC[C@H]1CCOc2ccccc21)N[C@@H]1CCCn2nc(C)nc21 ZINC000129335131 544106130 /nfs/dbraw/zinc/10/61/30/544106130.db2.gz IEAAEULJBCJUQT-GDBMZVCRSA-N 1 0 354.458 2.153 20 30 FEEDRO COCC[NH+]1[C@@H](C)CN(Cc2nnc(-c3ccc(C#N)cc3)o2)C[C@@H]1C ZINC000129713155 544124367 /nfs/dbraw/zinc/12/43/67/544124367.db2.gz RAXBEVFFQNKHBU-GJZGRUSLSA-N 1 0 355.442 2.149 20 30 FEEDRO COc1ccc(O)c(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1 ZINC000129881733 544130611 /nfs/dbraw/zinc/13/06/11/544130611.db2.gz NUIWVAJSBMXTKL-UHFFFAOYSA-N 1 0 353.422 2.476 20 30 FEEDRO C[C@@H]1C[NH+](CCCCNC(=O)c2c(F)cc(C#N)cc2F)C[C@@H](C)O1 ZINC000132284366 544225749 /nfs/dbraw/zinc/22/57/49/544225749.db2.gz AHJUHEDMWRIADF-CHWSQXEVSA-N 1 0 351.397 2.456 20 30 FEEDRO Cn1cc(C#N)cc1C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1 ZINC000133448208 544270329 /nfs/dbraw/zinc/27/03/29/544270329.db2.gz UGNGSTJYTMSLIK-ZWKOTPCHSA-N 1 0 372.856 2.352 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)Cc2coc(-c3cccs3)n2)c1C#N ZINC000133503894 544272724 /nfs/dbraw/zinc/27/27/24/544272724.db2.gz ZPODORVVFDOLJR-UHFFFAOYSA-N 1 0 370.438 2.331 20 30 FEEDRO C=CCC[C@H](O)C[NH+]1CCN(Cc2cc(OC)c(OC)c(OC)c2)CC1 ZINC000133093353 544255887 /nfs/dbraw/zinc/25/58/87/544255887.db2.gz WPNXQPBOSYEMTH-KRWDZBQOSA-N 1 0 364.486 2.157 20 30 FEEDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)Nc1ccc(C#N)cc1F ZINC000136057165 544365410 /nfs/dbraw/zinc/36/54/10/544365410.db2.gz KHNQISBEWZDOAX-MGPQQGTHSA-N 1 0 360.433 2.118 20 30 FEEDRO CCC[C@@H]1C(=O)NCCN1CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000152465750 544657041 /nfs/dbraw/zinc/65/70/41/544657041.db2.gz MBGUANCGHGIAQC-CQSZACIVSA-N 1 0 360.483 2.038 20 30 FEEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H](C)[C@H]1CN(C)CCO1 ZINC000152506435 544662429 /nfs/dbraw/zinc/66/24/29/544662429.db2.gz OWNLGYKEIXVUOH-RHSMWYFYSA-N 1 0 362.430 2.012 20 30 FEEDRO C[C@@H](C(=O)Nc1cc(F)ccc1F)[N@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000153325384 544761650 /nfs/dbraw/zinc/76/16/50/544761650.db2.gz WTMXQNLEZBFBRT-JTQLQIEISA-N 1 0 362.384 2.033 20 30 FEEDRO C[NH+]=C(NCc1cccnc1-n1ccnc1)N1CCS[C@@H](C(C)C)C1 ZINC000153759352 544819127 /nfs/dbraw/zinc/81/91/27/544819127.db2.gz CICJYTJACVBNRJ-MRXNPFEDSA-N 1 0 358.515 2.416 20 30 FEEDRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(CCOc2ccc(C#N)cc2)CC1 ZINC000153984521 544848600 /nfs/dbraw/zinc/84/86/00/544848600.db2.gz MWOBQWSSMGTIJY-OALUTQOASA-N 1 0 356.514 2.427 20 30 FEEDRO C[NH+](C)Cc1ccc(CNC(=O)C(=O)Nc2cccc(C#N)c2)cc1F ZINC000153995473 544849912 /nfs/dbraw/zinc/84/99/12/544849912.db2.gz HGHPGITYNSPHMF-UHFFFAOYSA-N 1 0 354.385 2.014 20 30 FEEDRO C[NH+](C)CCN(CC1CCCCC1)C(=O)CNC(=O)c1ccc(C#N)cc1 ZINC000154052428 544858394 /nfs/dbraw/zinc/85/83/94/544858394.db2.gz HMDOOAIANPUKLH-UHFFFAOYSA-N 1 0 370.497 2.259 20 30 FEEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H]1CCCC[N@H+]1CC(C)C ZINC000154112074 544866195 /nfs/dbraw/zinc/86/61/95/544866195.db2.gz OAFPVMLMAIMXHM-QGZVFWFLSA-N 1 0 372.513 2.423 20 30 FEEDRO CS(=O)(=O)N[C@H]1CCC[C@H]1C[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000154332094 544892823 /nfs/dbraw/zinc/89/28/23/544892823.db2.gz LJCRWDVLHLTHIA-WMZOPIPTSA-N 1 0 365.499 2.177 20 30 FEEDRO CN(C1CC[NH+](C)CC1)S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000155042102 544981040 /nfs/dbraw/zinc/98/10/40/544981040.db2.gz IGVNUWKMSJUNQE-UHFFFAOYSA-N 1 0 372.288 2.035 20 30 FEEDRO CC(C)([NH2+]CC(=O)NC1(C#N)CCCCC1)C(=O)NCC1CCCCC1 ZINC000155234901 545004162 /nfs/dbraw/zinc/00/41/62/545004162.db2.gz VNJURHDVCFYTFN-UHFFFAOYSA-N 1 0 362.518 2.394 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCC[C@@H](SCC)C2)CC1 ZINC000553329728 674253558 /nfs/dbraw/zinc/25/35/58/674253558.db2.gz OXKMZGLHFOLJHQ-IAGOWNOFSA-N 1 0 367.559 2.324 20 30 FEEDRO N#Cc1c(Br)cccc1S(=O)(=O)NCCC[NH+]1CCCC1 ZINC000553439305 674261959 /nfs/dbraw/zinc/26/19/59/674261959.db2.gz VZSQHJJKOBMSCR-UHFFFAOYSA-N 1 0 372.288 2.085 20 30 FEEDRO COC(=O)[C@@H]1CCCC[C@]1(C)[NH2+]CCS(=O)(=O)c1cccc(C#N)c1 ZINC000553661343 674277920 /nfs/dbraw/zinc/27/79/20/674277920.db2.gz UNWQDZXEHNBDKP-WMZOPIPTSA-N 1 0 364.467 2.043 20 30 FEEDRO CNC(=O)[C@@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2)C(C)C ZINC000183640802 327828090 /nfs/dbraw/zinc/82/80/90/327828090.db2.gz CLUKSXMPTGZEHR-INIZCTEOSA-N 1 0 362.499 2.187 20 30 FEEDRO CC(C)C[NH+]1CCC(NC(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1 ZINC000184606177 327875131 /nfs/dbraw/zinc/87/51/31/327875131.db2.gz KUPGUEFPUNBATF-UHFFFAOYSA-N 1 0 367.457 2.381 20 30 FEEDRO COCCOc1ccc(C#N)cc1NC(=O)N1CC[NH+](CC2CC2)CC1 ZINC000184614101 327875537 /nfs/dbraw/zinc/87/55/37/327875537.db2.gz LMHWTMNGOULQOM-UHFFFAOYSA-N 1 0 358.442 2.143 20 30 FEEDRO C[C@@H](CNS(=O)(=O)c1cccc(Br)c1C#N)[NH+]1CCCC1 ZINC000553787311 674285653 /nfs/dbraw/zinc/28/56/53/674285653.db2.gz MJYFJPDFIAKEQW-NSHDSACASA-N 1 0 372.288 2.083 20 30 FEEDRO N#Cc1c(NC(=O)CC[NH2+][C@H]2CCCC[C@@H]2C(N)=O)sc2c1CCCC2 ZINC000184807442 327883888 /nfs/dbraw/zinc/88/38/88/327883888.db2.gz ZENDMCFERJRCIG-ZFWWWQNUSA-N 1 0 374.510 2.461 20 30 FEEDRO N#Cc1c(NC(=O)CC[NH2+][C@@H]2CCCC[C@H]2C(N)=O)sc2c1CCCC2 ZINC000184807462 327883979 /nfs/dbraw/zinc/88/39/79/327883979.db2.gz ZENDMCFERJRCIG-UKRRQHHQSA-N 1 0 374.510 2.461 20 30 FEEDRO Cc1nc(C#N)c(N2CCC(C(=O)N3CC[NH+](C4CCCC4)CC3)CC2)o1 ZINC000189027750 328124367 /nfs/dbraw/zinc/12/43/67/328124367.db2.gz VVSZCELFWYLZJQ-UHFFFAOYSA-N 1 0 371.485 2.158 20 30 FEEDRO C[NH+](C)CCCOc1cccc(NC(=O)C(=O)Nc2cccc(C#N)c2)c1 ZINC000189773293 328167120 /nfs/dbraw/zinc/16/71/20/328167120.db2.gz VURIBDCQILURJH-UHFFFAOYSA-N 1 0 366.421 2.466 20 30 FEEDRO CCO[C@@H]1C[C@](CO)([NH2+]CC(=O)Nc2cc(Cl)ccc2C#N)C1(C)C ZINC000189959903 328178979 /nfs/dbraw/zinc/17/89/79/328178979.db2.gz AAXBCQKZLRVGAE-CRAIPNDOSA-N 1 0 365.861 2.306 20 30 FEEDRO N#Cc1cc(NC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCC2)ccc1Cl ZINC000190014158 328182512 /nfs/dbraw/zinc/18/25/12/328182512.db2.gz MREWTDPJFWPSMN-HNNXBMFYSA-N 1 0 360.845 2.237 20 30 FEEDRO C[C@H](NC(=O)C(=O)Nc1ccc(F)cc1C#N)[C@@H](c1ccccc1)[NH+](C)C ZINC000191246272 328256213 /nfs/dbraw/zinc/25/62/13/328256213.db2.gz VCJCVUDRHAOMHB-UGSOOPFHSA-N 1 0 368.412 2.443 20 30 FEEDRO N#Cc1ccc(Br)c(CN2CC[NH+](C[C@@H]3CCOC3)CC2)c1 ZINC000191805440 328283039 /nfs/dbraw/zinc/28/30/39/328283039.db2.gz WYQGWQIKAUKVIQ-HNNXBMFYSA-N 1 0 364.287 2.475 20 30 FEEDRO N#Cc1ccc(CN2CC[C@@H]([NH2+]Cc3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000192241854 328308731 /nfs/dbraw/zinc/30/87/31/328308731.db2.gz DKLCETDENOWPTL-GOSISDBHSA-N 1 0 350.378 2.357 20 30 FEEDRO CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)NCCC[NH+]1CCCCCC1 ZINC000192510356 328322831 /nfs/dbraw/zinc/32/28/31/328322831.db2.gz JHSMPDHLKUOPBV-UHFFFAOYSA-N 1 0 373.501 2.436 20 30 FEEDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)C1 ZINC000193162499 328360351 /nfs/dbraw/zinc/36/03/51/328360351.db2.gz FDMOXDKHWPLWDG-OAHLLOKOSA-N 1 0 373.501 2.147 20 30 FEEDRO N#Cc1c(F)cccc1N1CCN(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000079458927 325091412 /nfs/dbraw/zinc/09/14/12/325091412.db2.gz WCFHABWVKSDIOI-OAHLLOKOSA-N 1 0 371.460 2.013 20 30 FEEDRO C[NH+](C)CCn1c2cc(NC(=O)c3cc(C#N)cs3)ccc2oc1=O ZINC000084088897 325227969 /nfs/dbraw/zinc/22/79/69/325227969.db2.gz QSRRQGVCVWSZCH-UHFFFAOYSA-N 1 0 356.407 2.342 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)CCCOc2cccc(F)c2)c1C#N ZINC000089675201 325326550 /nfs/dbraw/zinc/32/65/50/325326550.db2.gz UXWQZRBXRQWUOY-UHFFFAOYSA-N 1 0 359.405 2.370 20 30 FEEDRO Cc1ccc(NC(=O)[C@@H](C)[N@H+](C)CCCc2[nH]nc(N)c2C#N)c(F)c1 ZINC000089943188 325343818 /nfs/dbraw/zinc/34/38/18/325343818.db2.gz QTAIDWVRQHCJKJ-GFCCVEGCSA-N 1 0 358.421 2.203 20 30 FEEDRO Cc1n[nH]c(C)c1CCC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000097682298 325462934 /nfs/dbraw/zinc/46/29/34/325462934.db2.gz XAPMKSWONIVWPQ-UHFFFAOYSA-N 1 0 353.470 2.421 20 30 FEEDRO CC(=O)N(C)C1CC[NH+](CCC(=O)Nc2sc3c(c2C#N)CCC3)CC1 ZINC000112544700 325789147 /nfs/dbraw/zinc/78/91/47/325789147.db2.gz JKYAQGBQKVCIHU-UHFFFAOYSA-N 1 0 374.510 2.380 20 30 FEEDRO CC(C)Oc1ccc(NC(=O)C(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc1C#N ZINC000119208185 326137811 /nfs/dbraw/zinc/13/78/11/326137811.db2.gz BNWFQMVDUXKOMG-XJKSGUPXSA-N 1 0 370.453 2.025 20 30 FEEDRO CC(C)Oc1ccc(NC(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)cc1C#N ZINC000119263280 326142558 /nfs/dbraw/zinc/14/25/58/326142558.db2.gz RLSAMDBQTHTJSY-AWEZNQCLSA-N 1 0 374.485 2.376 20 30 FEEDRO Cc1cc(C#N)ccc1C(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000119563587 326176140 /nfs/dbraw/zinc/17/61/40/326176140.db2.gz MEUATXMCMLTGOY-UHFFFAOYSA-N 1 0 364.449 2.088 20 30 FEEDRO N#Cc1ccsc1NC(=O)CC[N@@H+]1CC[C@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000119809827 326201115 /nfs/dbraw/zinc/20/11/15/326201115.db2.gz CKXUCVHNHMWWOU-ZBFHGGJFSA-N 1 0 372.494 2.424 20 30 FEEDRO C[NH+](C)C[C@H](Cc1ccccc1)NS(=O)(=O)Cc1cccc(C#N)c1 ZINC000119972222 326217245 /nfs/dbraw/zinc/21/72/45/326217245.db2.gz APOPIXFXWJKMSB-IBGZPJMESA-N 1 0 357.479 2.151 20 30 FEEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000120466985 326260743 /nfs/dbraw/zinc/26/07/43/326260743.db2.gz CJNVIBSBVHAUNR-GOEBONIOSA-N 1 0 372.469 2.225 20 30 FEEDRO N#Cc1cccc(CS(=O)(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000121639875 326354178 /nfs/dbraw/zinc/35/41/78/326354178.db2.gz AINWWYAXWFPUDS-MJGOQNOKSA-N 1 0 359.495 2.337 20 30 FEEDRO Cc1ccc(C#N)cc1NC(=O)C(=O)N1CCC([N@H+]2CCC[C@@H]2C)CC1 ZINC000121712139 326360397 /nfs/dbraw/zinc/36/03/97/326360397.db2.gz ZRLHMCJVVCELAC-HNNXBMFYSA-N 1 0 354.454 2.281 20 30 FEEDRO C[NH2+]C[C@@H]1CCCN(S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)C1 ZINC000122600267 326402843 /nfs/dbraw/zinc/40/28/43/326402843.db2.gz CRDRPDQAUUJKTH-NSHDSACASA-N 1 0 361.389 2.197 20 30 FEEDRO C[NH+](C)CCCNC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000124598771 326456761 /nfs/dbraw/zinc/45/67/61/326456761.db2.gz WHBVXNKGMRBPPC-UHFFFAOYSA-N 1 0 366.421 2.357 20 30 FEEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cnn2c1CCCC2 ZINC000126837400 326495982 /nfs/dbraw/zinc/49/59/82/326495982.db2.gz AZXLCURAYIKSLY-UHFFFAOYSA-N 1 0 351.454 2.295 20 30 FEEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)NCCC1CC[NH+](C)CC1 ZINC000128999610 326533206 /nfs/dbraw/zinc/53/32/06/326533206.db2.gz IARVYOOFVIMLCO-UHFFFAOYSA-N 1 0 372.469 2.132 20 30 FEEDRO N#Cc1ccc(N2C(=O)C[C@@H](N3CC[NH+](C4CCCCC4)CC3)C2=O)cc1 ZINC000130447346 326557050 /nfs/dbraw/zinc/55/70/50/326557050.db2.gz CHXALFUPJRVGAR-LJQANCHMSA-N 1 0 366.465 2.140 20 30 FEEDRO CC(C)[C@@H](C)NC(=O)C1CC[NH+](C[C@H](O)COc2ccc(C#N)cc2)CC1 ZINC000153893433 326745775 /nfs/dbraw/zinc/74/57/75/326745775.db2.gz CDGHPRFFXNAVMP-APWZRJJASA-N 1 0 373.497 2.171 20 30 FEEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)CNc1cccc(C#N)c1 ZINC000155541819 326792719 /nfs/dbraw/zinc/79/27/19/326792719.db2.gz NIJLYYUXLAMTOL-UHFFFAOYSA-N 1 0 361.449 2.432 20 30 FEEDRO C[NH+](C)CCN(C(=O)C(=O)Nc1cc(C#N)ccc1Cl)C1CCCC1 ZINC000162861661 327036673 /nfs/dbraw/zinc/03/66/73/327036673.db2.gz KEIIAJWHMGMFJO-UHFFFAOYSA-N 1 0 362.861 2.483 20 30 FEEDRO CCC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)Cc2cc(C#N)ccc2F)C1 ZINC000163961371 327062001 /nfs/dbraw/zinc/06/20/01/327062001.db2.gz DOXAKUPSYDHYNP-HNNXBMFYSA-N 1 0 353.463 2.191 20 30 FEEDRO CC(C)C[N@@H+]1CCC[C@H](CNS(=O)(=O)Cc2cc(C#N)ccc2F)C1 ZINC000165222743 327077052 /nfs/dbraw/zinc/07/70/52/327077052.db2.gz SQSIKXHDNRSZFR-MRXNPFEDSA-N 1 0 367.490 2.485 20 30 FEEDRO CCOc1ccc(C#N)cc1NC(=O)N1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000171636694 327150470 /nfs/dbraw/zinc/15/04/70/327150470.db2.gz MJYFOXCRHYTCSU-QGZVFWFLSA-N 1 0 371.485 2.201 20 30 FEEDRO CCOc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H](C(CC)CC)[NH+](C)C ZINC000172305463 327194647 /nfs/dbraw/zinc/19/46/47/327194647.db2.gz KWNRGXCSFDTMQB-QGZVFWFLSA-N 1 0 374.485 2.378 20 30 FEEDRO CC(C)[N@H+]1[C@@H]2CC[C@H]1CCN(S(=O)(=O)c1ccc(F)c(C#N)c1)C2 ZINC000173845595 327288505 /nfs/dbraw/zinc/28/85/05/327288505.db2.gz FYUWSWBLKUDNPA-LSDHHAIUSA-N 1 0 351.447 2.333 20 30 FEEDRO CC[NH+](CC)[C@@H]1CCN(C(=O)CCc2c(C)nc3c(C#N)cnn3c2C)C1 ZINC000174160729 327309632 /nfs/dbraw/zinc/30/96/32/327309632.db2.gz VZFMQOGNFQFYLE-QGZVFWFLSA-N 1 0 368.485 2.093 20 30 FEEDRO Cc1c(C#N)cccc1NC(=O)C(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000178417094 327583537 /nfs/dbraw/zinc/58/35/37/327583537.db2.gz GYXKGTOAVZPQQY-SFHVURJKSA-N 1 0 356.470 2.432 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000247186059 328673161 /nfs/dbraw/zinc/67/31/61/328673161.db2.gz ZFMNROJQYFXJIR-GUDVDZBRSA-N 1 0 370.497 2.445 20 30 FEEDRO C[C@H]([NH3+])[C@H]1CCCCN1S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000262192520 328850050 /nfs/dbraw/zinc/85/00/50/328850050.db2.gz CJMRAKUHWREKQP-IINYFYTJSA-N 1 0 361.389 2.467 20 30 FEEDRO COCC[N@@H+]1CC[C@@H](NC(=O)c2occc2COc2cccc(C#N)c2)C1 ZINC000264513192 329031400 /nfs/dbraw/zinc/03/14/00/329031400.db2.gz LVEVDYZSXGFLLZ-QGZVFWFLSA-N 1 0 369.421 2.181 20 30 FEEDRO C[C@@H](CNC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1)C[NH+]1CCCCC1 ZINC000265447340 329128006 /nfs/dbraw/zinc/12/80/06/329128006.db2.gz SADMIZMFYXIAJD-ZDUSSCGKSA-N 1 0 362.861 2.388 20 30 FEEDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NS(=O)(=O)c1ccc(C#N)nc1 ZINC000267289190 329310950 /nfs/dbraw/zinc/31/09/50/329310950.db2.gz QWOBMMPFGCJPNF-KXBFYZLASA-N 1 0 370.478 2.142 20 30 FEEDRO CC(C)[NH+]1CCC(N2CCN(c3nc4ccccn4c3C#N)CC2)CC1 ZINC000272954231 329826103 /nfs/dbraw/zinc/82/61/03/329826103.db2.gz YFZCLKLCJUJBEV-UHFFFAOYSA-N 1 0 352.486 2.201 20 30 FEEDRO COc1cc(C#N)ccc1OCCN1C[C@@H](SC)[C@@H]([NH+]2CCCC2)C1 ZINC000274150867 329920266 /nfs/dbraw/zinc/92/02/66/329920266.db2.gz YGNLLBDHIZYQTR-QFBILLFUSA-N 1 0 361.511 2.457 20 30 FEEDRO N#Cc1c(C[N@H+]2CC[C@@H](C(=O)NCC(F)(F)F)C2)cn2ccccc12 ZINC000275125078 330013063 /nfs/dbraw/zinc/01/30/63/330013063.db2.gz QQLRLJBOKNVUNK-GFCCVEGCSA-N 1 0 350.344 2.311 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCC(CC)(CC)SC)CC1 ZINC000804898999 674305551 /nfs/dbraw/zinc/30/55/51/674305551.db2.gz RZMJLZJZXKZERG-UHFFFAOYSA-N 1 0 355.548 2.181 20 30 FEEDRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2ccc(F)cc2C#N)C1 ZINC000155476793 545531261 /nfs/dbraw/zinc/53/12/61/545531261.db2.gz HQZSPDXCDYOGNC-AWEZNQCLSA-N 1 0 360.433 2.120 20 30 FEEDRO N#Cc1cc(NC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)ccc1F ZINC000156023638 545592369 /nfs/dbraw/zinc/59/23/69/545592369.db2.gz LLQSVBKGZQDVOD-SCLBCKFNSA-N 1 0 370.428 2.111 20 30 FEEDRO COCCC1(CNC2=[NH+]C[C@@H]3CN(C(=O)OC(C)(C)C)CCN23)CCC1 ZINC000156944765 545679916 /nfs/dbraw/zinc/67/99/16/545679916.db2.gz GKSGFNLGACYTEQ-OAHLLOKOSA-N 1 0 366.506 2.074 20 30 FEEDRO CC(C)C(=O)NCC[N@H+](C)CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000157645368 545764485 /nfs/dbraw/zinc/76/44/85/545764485.db2.gz OORNUVKMRIWNPW-UHFFFAOYSA-N 1 0 350.850 2.244 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@H]2CC(=O)N(C)[C@H]2c2cccs2)CC1 ZINC000159231940 545934566 /nfs/dbraw/zinc/93/45/66/545934566.db2.gz LVCCANHAJXXCKY-MAUKXSAKSA-N 1 0 361.511 2.424 20 30 FEEDRO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159714506 545975661 /nfs/dbraw/zinc/97/56/61/545975661.db2.gz GOXIVMWRAMRANO-RYRKJORJSA-N 1 0 359.470 2.423 20 30 FEEDRO N#CCOc1ccc(CC(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000160323272 546030165 /nfs/dbraw/zinc/03/01/65/546030165.db2.gz OWJFDYXCNSBLJH-PMACEKPBSA-N 1 0 371.481 2.016 20 30 FEEDRO CC1CC[NH+](C[C@@H](O)CNC(=O)N[C@@H](CCC#N)c2ccccc2)CC1 ZINC000160676151 546062657 /nfs/dbraw/zinc/06/26/57/546062657.db2.gz HZTUFZJQPYFIEI-OALUTQOASA-N 1 0 358.486 2.423 20 30 FEEDRO CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc(OC(C)C)c(C#N)c2)C1 ZINC000160708390 546064592 /nfs/dbraw/zinc/06/45/92/546064592.db2.gz MOHBCLGEUWHANF-HNNXBMFYSA-N 1 0 372.469 2.132 20 30 FEEDRO CCC(=O)N1CC[C@@H](NC(NCc2coc(-c3ccc(C)cc3)n2)=[NH+]C)C1 ZINC000161141335 546103780 /nfs/dbraw/zinc/10/37/80/546103780.db2.gz ZYTXXRGVZWZXEJ-MRXNPFEDSA-N 1 0 369.469 2.326 20 30 FEEDRO CC(C)[C@@H]([NH2+]CC(=O)N(CCC#N)CCC#N)c1ccc2c(c1)OCCO2 ZINC000161473537 546131477 /nfs/dbraw/zinc/13/14/77/546131477.db2.gz ZPIJLTSZELKGHN-HXUWFJFHSA-N 1 0 370.453 2.400 20 30 FEEDRO C=CCc1ccc(OC[C@H](O)CN2CC[C@H]([NH+]3CCCC3)C2)c(OC)c1 ZINC000170739640 546174664 /nfs/dbraw/zinc/17/46/64/546174664.db2.gz IGIAHZDBZMHZLJ-RBUKOAKNSA-N 1 0 360.498 2.334 20 30 FEEDRO COc1ccc(CCNC(=[NH2+])NC[C@@H](O)c2ccc(C)cc2)cc1OC ZINC000170906217 546181547 /nfs/dbraw/zinc/18/15/47/546181547.db2.gz MTJKQKUSEDGXCW-QGZVFWFLSA-N 1 0 357.454 2.193 20 30 FEEDRO COc1ccccc1CNC(=[NH2+])NCCOc1cccc(NC(C)=O)c1 ZINC000170915093 546182421 /nfs/dbraw/zinc/18/24/21/546182421.db2.gz YRHNUYLMSNLHGE-UHFFFAOYSA-N 1 0 356.426 2.137 20 30 FEEDRO C=CCSc1ccccc1NC(=O)CN1CC[NH+](CC(C)(C)O)CC1 ZINC000171153637 546193749 /nfs/dbraw/zinc/19/37/49/546193749.db2.gz WAHUKXNAZGEPDJ-UHFFFAOYSA-N 1 0 363.527 2.292 20 30 FEEDRO N#CCCN(C(=O)CCC(=O)N1CCC[N@@H+](C2CC2)CC1)c1ccccc1 ZINC000171283562 546201143 /nfs/dbraw/zinc/20/11/43/546201143.db2.gz WPDVLUQSISTBKW-UHFFFAOYSA-N 1 0 368.481 2.410 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)CSCC(=O)Nc2cccc(C)c2)CC1 ZINC000171566186 546214807 /nfs/dbraw/zinc/21/48/07/546214807.db2.gz PSPXERIVGASKIT-UHFFFAOYSA-N 1 0 361.511 2.433 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)NCc2ccc(-n3nc(C)cc3C)nc2)CC1 ZINC000171710802 546220617 /nfs/dbraw/zinc/22/06/17/546220617.db2.gz OGYYYUVVBSNLBS-UHFFFAOYSA-N 1 0 368.485 2.334 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)CCn2c(=O)oc3cc(Cl)ccc32)CC1 ZINC000171723367 546222051 /nfs/dbraw/zinc/22/20/51/546222051.db2.gz RBSPKYDBPDIGQS-UHFFFAOYSA-N 1 0 363.845 2.405 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)CCn2c3ccccc3n(CCC)c2=O)CC1 ZINC000171722403 546222235 /nfs/dbraw/zinc/22/22/35/546222235.db2.gz BYPSPLYGYHQIDT-UHFFFAOYSA-N 1 0 370.497 2.370 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2)CC1 ZINC000171729151 546222245 /nfs/dbraw/zinc/22/22/45/546222245.db2.gz QBICOSBWRRYKCN-IBGZPJMESA-N 1 0 355.482 2.448 20 30 FEEDRO CO/N=C/c1ccc(C(=O)NCC2([NH+]3CCCCC3)CCN(C)CC2)cc1 ZINC000172850451 546268534 /nfs/dbraw/zinc/26/85/34/546268534.db2.gz HFNUOHKGUANKLH-XQNSMLJCSA-N 1 0 372.513 2.347 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(C(F)(F)F)cc2)CC1 ZINC000173274398 546277238 /nfs/dbraw/zinc/27/72/38/546277238.db2.gz QJUKIKYZSNUYIE-UHFFFAOYSA-N 1 0 355.360 2.411 20 30 FEEDRO N#CCCCOc1cccc(C[NH2+]CCN2C(=O)NC3(CCCC3)C2=O)c1 ZINC000479609962 561193431 /nfs/dbraw/zinc/19/34/31/561193431.db2.gz HWMRQMQVOVWLBV-UHFFFAOYSA-N 1 0 370.453 2.323 20 30 FEEDRO Cc1cc(N2CC[C@@H]([NH2+][C@H](C)c3ccc(OCC#N)cc3)C2=O)n(C)n1 ZINC000174044992 546290178 /nfs/dbraw/zinc/29/01/78/546290178.db2.gz GNACSSNORDVIMV-RHSMWYFYSA-N 1 0 353.426 2.087 20 30 FEEDRO NC(=[NH+]OCc1cccc([N+](=O)[O-])c1)c1ccc(N2CCC(O)CC2)cc1 ZINC000174126317 546291800 /nfs/dbraw/zinc/29/18/00/546291800.db2.gz AJACDDMKGAANQX-UHFFFAOYSA-N 1 0 370.409 2.393 20 30 FEEDRO CC(C)(CCC#N)C[NH2+][C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 ZINC000174384356 546295310 /nfs/dbraw/zinc/29/53/10/546295310.db2.gz ZMNODFOZBRLUHT-QGZVFWFLSA-N 1 0 372.517 2.202 20 30 FEEDRO C=C(C)Cn1c(SCC(=O)NC[C@@H](C)[NH+](C)C)nnc1-c1ccco1 ZINC000480312107 561207000 /nfs/dbraw/zinc/20/70/00/561207000.db2.gz CCFKKCIFUFFWAP-CYBMUJFWSA-N 1 0 363.487 2.273 20 30 FEEDRO CSc1c(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)cnn1C ZINC000480538271 561211412 /nfs/dbraw/zinc/21/14/12/561211412.db2.gz HRFYZETYMIWZEN-UHFFFAOYSA-N 1 0 369.494 2.430 20 30 FEEDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NS(=O)(=O)Cc1ccc(C#N)cc1F ZINC000480695017 561214710 /nfs/dbraw/zinc/21/47/10/561214710.db2.gz IQTANEQSSIIOLP-KBPBESRZSA-N 1 0 353.463 2.237 20 30 FEEDRO COC(=O)[C@]1(C)CC[N@@H+]([C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1 ZINC000177451709 546621359 /nfs/dbraw/zinc/62/13/59/546621359.db2.gz KTWINEWCNGNQRE-AUUYWEPGSA-N 1 0 361.417 2.346 20 30 FEEDRO COC(=O)[C@@]1(C)CC[N@H+](CC(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000177467934 546624865 /nfs/dbraw/zinc/62/48/65/546624865.db2.gz YEYFEFWLFGGQGH-FQEVSTJZSA-N 1 0 357.454 2.435 20 30 FEEDRO Cc1c(C#N)cccc1NC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000178909243 546871745 /nfs/dbraw/zinc/87/17/45/546871745.db2.gz BUUHHGDVWQANGP-VQIMIIECSA-N 1 0 366.465 2.281 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2ccc(F)cc2)CC1 ZINC000179344584 546935631 /nfs/dbraw/zinc/93/56/31/546935631.db2.gz FNSOPFCGFQHMGA-PKOBYXMFSA-N 1 0 359.445 2.112 20 30 FEEDRO Cc1ccc(C#N)cc1NC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000179473336 546960360 /nfs/dbraw/zinc/96/03/60/546960360.db2.gz OEQHVWNRIRRXIS-PKOBYXMFSA-N 1 0 362.433 2.367 20 30 FEEDRO Cn1cc(C[N@@H+]2CCC[C@@H]2CN2CCOCC2)c(-c2ccc(C#N)cc2)n1 ZINC000179950795 547032004 /nfs/dbraw/zinc/03/20/04/547032004.db2.gz DUGDYAITBCEXOU-HXUWFJFHSA-N 1 0 365.481 2.255 20 30 FEEDRO Cc1ccc(C#N)cc1S(=O)(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000180198082 547066834 /nfs/dbraw/zinc/06/68/34/547066834.db2.gz ZBLXRPXPXWIFMV-UHFFFAOYSA-N 1 0 370.478 2.457 20 30 FEEDRO C=CCC[C@@H]([NH2+]CC(=O)N1CCN(c2cnccn2)CC1)c1ccccc1 ZINC000180439833 547108357 /nfs/dbraw/zinc/10/83/57/547108357.db2.gz NBIIAZMTMUAGBV-LJQANCHMSA-N 1 0 365.481 2.422 20 30 FEEDRO C=CCN1CCC([NH2+]C2CC(C(=O)OC(C)C)(C(=O)OC(C)C)C2)CC1 ZINC000180628182 547144670 /nfs/dbraw/zinc/14/46/70/547144670.db2.gz GJGKENXUVSHBGK-UHFFFAOYSA-N 1 0 366.502 2.278 20 30 FEEDRO C[C@H](NC(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1)c1ccc(C#N)cc1 ZINC000482842246 561261167 /nfs/dbraw/zinc/26/11/67/561261167.db2.gz PQVXHPNNLMGEJA-ZWOKBUDYSA-N 1 0 369.513 2.287 20 30 FEEDRO CCc1ccccc1NC(=O)C[C@@H](C)[NH2+]CCNC(=O)C1N=CC=CC1=O ZINC000180868943 547198902 /nfs/dbraw/zinc/19/89/02/547198902.db2.gz HSZBMNVFYPATQB-BVGIJJTOSA-N 1 0 370.453 2.082 20 30 FEEDRO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@H](C)c1cccc(N2CCOC2=O)c1 ZINC000181309200 547291071 /nfs/dbraw/zinc/29/10/71/547291071.db2.gz KHJXALXEUOELHK-LSDHHAIUSA-N 1 0 358.442 2.302 20 30 FEEDRO CC[C@H](O)C[NH+]1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 ZINC000181439265 547315928 /nfs/dbraw/zinc/31/59/28/547315928.db2.gz XWBRACHCHBXSNR-JKSUJKDBSA-N 1 0 352.276 2.402 20 30 FEEDRO C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000181742416 547371704 /nfs/dbraw/zinc/37/17/04/547371704.db2.gz BKRNEWUZYIDOQR-HOTGVXAUSA-N 1 0 372.469 2.154 20 30 FEEDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2ccccc2O[C@@H](C)C#N)C1 ZINC000181881638 547398288 /nfs/dbraw/zinc/39/82/88/547398288.db2.gz DAEUFQWSCMPIFN-JKSUJKDBSA-N 1 0 372.469 2.106 20 30 FEEDRO N#Cc1ccc2ncc(C[NH2+][C@H]3CC(=O)N(c4c(F)cccc4F)C3)n2c1 ZINC000181995285 547418607 /nfs/dbraw/zinc/41/86/07/547418607.db2.gz BKUINSOSSRDYFA-ZDUSSCGKSA-N 1 0 367.359 2.379 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cnc([C@@H](C)CC)nc2)CC1 ZINC000483876283 561285444 /nfs/dbraw/zinc/28/54/44/561285444.db2.gz ACMOBYDCYYPOIR-AWEZNQCLSA-N 1 0 359.474 2.085 20 30 FEEDRO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1CCCOCc1ccccc1 ZINC000182461008 547497879 /nfs/dbraw/zinc/49/78/79/547497879.db2.gz XJNBEYNPHMVDAM-QGZVFWFLSA-N 1 0 351.454 2.466 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(C(C)=O)c(Cl)c2)CC1 ZINC000182797871 547554244 /nfs/dbraw/zinc/55/42/44/547554244.db2.gz KUIDMFPFCNWKQN-UHFFFAOYSA-N 1 0 363.845 2.248 20 30 FEEDRO N#Cc1ccc(N2CCC[C@@H]([N@@H+]3CCC[C@H](Cn4ccnn4)C3)C2=O)cc1 ZINC000182925337 547573273 /nfs/dbraw/zinc/57/32/73/547573273.db2.gz XIRKPYFFIJUZCK-PKOBYXMFSA-N 1 0 364.453 2.057 20 30 FEEDRO N#Cc1ccc(OC[C@@H](O)CN2CCO[C@@H](COc3ccccc3)C2)cc1 ZINC000484541921 561299524 /nfs/dbraw/zinc/29/95/24/561299524.db2.gz GNYYQXGBNLJEDT-GHTZIAJQSA-N 1 0 368.433 2.078 20 30 FEEDRO Cn1cc([C@@H]2CSCCN2CCC(=O)Nc2cccc(C#N)c2)cn1 ZINC000484791292 561306143 /nfs/dbraw/zinc/30/61/43/561306143.db2.gz BPQNPYFGHADQQZ-KRWDZBQOSA-N 1 0 355.467 2.410 20 30 FEEDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2cc(C#N)ccc2OCCOC)C1 ZINC000184621944 547855237 /nfs/dbraw/zinc/85/52/37/547855237.db2.gz ZMCZFVSRMVSQGL-INIZCTEOSA-N 1 0 360.458 2.389 20 30 FEEDRO C#CCOc1ccccc1NC(=O)C(=O)NCCC[NH+](C(C)C)C(C)C ZINC000184858748 547888187 /nfs/dbraw/zinc/88/81/87/547888187.db2.gz FTWHHOQAMQZHNY-UHFFFAOYSA-N 1 0 359.470 2.262 20 30 FEEDRO CN(C)C(=O)CNC(NCc1ccc(Cl)cn1)=[NH+][C@H]1C[C@H]2CC[C@@H]1C2 ZINC000185373126 547976738 /nfs/dbraw/zinc/97/67/38/547976738.db2.gz ABXSDNPPCMINTQ-ZENOOKHLSA-N 1 0 363.893 2.047 20 30 FEEDRO C=CCSc1ccccc1C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000485459504 561319578 /nfs/dbraw/zinc/31/95/78/561319578.db2.gz BDZJACICAQDTJH-QGZVFWFLSA-N 1 0 373.522 2.343 20 30 FEEDRO COc1cc(C#N)ccc1S(=O)(=O)NC[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000185866739 548048293 /nfs/dbraw/zinc/04/82/93/548048293.db2.gz RWESYLNFFBOOJW-MRXNPFEDSA-N 1 0 365.499 2.213 20 30 FEEDRO CN(CCC#N)C(=O)CC[NH+]1CCC(O)(c2c(F)cccc2F)CC1 ZINC000186488482 548142796 /nfs/dbraw/zinc/14/27/96/548142796.db2.gz SNRXZQOKKRXMEK-UHFFFAOYSA-N 1 0 351.397 2.010 20 30 FEEDRO N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)C[N@@H+]2CCCC3(CC3)C2)CC1 ZINC000186989411 548235358 /nfs/dbraw/zinc/23/53/58/548235358.db2.gz JJIXRAANBLXJGF-IBGZPJMESA-N 1 0 370.472 2.411 20 30 FEEDRO C=C(C)[C@@H]([NH2+]CCc1cn(CC(=O)OC)nn1)c1ccc(F)c(F)c1 ZINC000187773619 548264095 /nfs/dbraw/zinc/26/40/95/548264095.db2.gz NUSVMHZVKSJKCY-QGZVFWFLSA-N 1 0 350.369 2.179 20 30 FEEDRO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)C2(c3ccc(C#N)cc3)CC2)CC1 ZINC000187974514 548267863 /nfs/dbraw/zinc/26/78/63/548267863.db2.gz QOVITWLNTIIVHB-MRXNPFEDSA-N 1 0 355.482 2.141 20 30 FEEDRO CSc1cccc(C)c1NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C ZINC000190000080 548315678 /nfs/dbraw/zinc/31/56/78/548315678.db2.gz GGZXZETZASYYMU-UHFFFAOYSA-N 1 0 362.499 2.349 20 30 FEEDRO C[N@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)C1(CO)CCOCC1 ZINC000190976049 548337535 /nfs/dbraw/zinc/33/75/35/548337535.db2.gz BBMWWRQUNUJPIC-UHFFFAOYSA-N 1 0 365.861 2.060 20 30 FEEDRO C=CCC1(C(=O)Nc2ccc(C(=O)NCCN3CCOCC3)cc2)CCC1 ZINC000191154014 548341451 /nfs/dbraw/zinc/34/14/51/548341451.db2.gz VLLZVTFYFNCYIL-UHFFFAOYSA-N 1 0 371.481 2.434 20 30 FEEDRO CNC(=O)c1ccc(CO/[NH+]=C/c2ccc(N3CCOCC3)cc2)cc1 ZINC000191950472 548353496 /nfs/dbraw/zinc/35/34/96/548353496.db2.gz RFAGOWNEVQKQJW-HYARGMPZSA-N 1 0 353.422 2.434 20 30 FEEDRO COc1cccc(CN(CC[NH+](C)C)C(=O)Nc2ccn(CCC#N)n2)c1 ZINC000192269554 548361544 /nfs/dbraw/zinc/36/15/44/548361544.db2.gz HOSIGRYKFNDEJO-UHFFFAOYSA-N 1 0 370.457 2.401 20 30 FEEDRO C=CCN1C(=S)N=NC1c1sc(NC(=O)CC[C@H](C)[NH3+])nc1C ZINC000193186737 548381204 /nfs/dbraw/zinc/38/12/04/548381204.db2.gz HNRIONDZYUWNBH-QMMMGPOBSA-N 1 0 352.489 2.251 20 30 FEEDRO C[C@H]1CCNC(=O)[C@@H]1[NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000193630431 548391773 /nfs/dbraw/zinc/39/17/73/548391773.db2.gz DRTNHWPZSMSBCX-YVEFUNNKSA-N 1 0 374.510 2.331 20 30 FEEDRO C[C@H]1C[N@H+](C)C[C@H]1C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N ZINC000487429325 561369646 /nfs/dbraw/zinc/36/96/46/561369646.db2.gz JCOHAPDXMAOJCB-WMLDXEAASA-N 1 0 354.454 2.406 20 30 FEEDRO Cc1ccc(C#N)cc1NC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000245656035 548968251 /nfs/dbraw/zinc/96/82/51/548968251.db2.gz OEQHVWNRIRRXIS-HKUYNNGSSA-N 1 0 362.433 2.367 20 30 FEEDRO N#Cc1cccc(S(=O)(=O)CCN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000245782125 548993660 /nfs/dbraw/zinc/99/36/60/548993660.db2.gz HSCWXMLREMIGKS-FXAWDEMLSA-N 1 0 373.522 2.281 20 30 FEEDRO N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)C[NH+]2C[C@@H]3CCC[C@H]3C2)CC1 ZINC000245898983 549014995 /nfs/dbraw/zinc/01/49/95/549014995.db2.gz RSQZOVKKHQJYEY-CMKODMSKSA-N 1 0 370.472 2.266 20 30 FEEDRO C[N@H+](CCC(=O)Nc1sccc1C#N)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000246134806 549060368 /nfs/dbraw/zinc/06/03/68/549060368.db2.gz MVODRSQEMIDXTA-UONOGXRCSA-N 1 0 369.512 2.236 20 30 FEEDRO C[N@@H+]1CCC[C@H]2CN(S(=O)(=O)c3cccc(Cl)c3C#N)CC[C@H]21 ZINC000246218084 549081227 /nfs/dbraw/zinc/08/12/27/549081227.db2.gz UFUMQZOVZUFPNR-SWLSCSKDSA-N 1 0 353.875 2.316 20 30 FEEDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2c(F)cc(C#N)cc2F)[C@@H](C)C1 ZINC000246461325 549138917 /nfs/dbraw/zinc/13/89/17/549138917.db2.gz FYEBJMIGXKTTNU-NHYWBVRUSA-N 1 0 357.426 2.187 20 30 FEEDRO C[NH+](C)C[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000489137900 561404361 /nfs/dbraw/zinc/40/43/61/561404361.db2.gz ZGQUWNVFWKWAIW-MRXNPFEDSA-N 1 0 361.442 2.149 20 30 FEEDRO CC1CCC(N(C)C(=O)CN2CCN(c3ncccc3C#N)CC2)CC1 ZINC000248056933 549403959 /nfs/dbraw/zinc/40/39/59/549403959.db2.gz OTTFFZODNLOQCL-UHFFFAOYSA-N 1 0 355.486 2.112 20 30 FEEDRO Cc1nc(C#N)c(N2CCC(C(=O)N[C@H](C)C[N@@H+]3CCC[C@@H](C)C3)CC2)o1 ZINC000248959558 549532383 /nfs/dbraw/zinc/53/23/83/549532383.db2.gz PHMBWMQRTNROTR-HUUCEWRRSA-N 1 0 373.501 2.308 20 30 FEEDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)Nc1ccccc1SCCC#N ZINC000249169087 549564475 /nfs/dbraw/zinc/56/44/75/549564475.db2.gz KTRXHHYOBXTAGY-GOEBONIOSA-N 1 0 374.510 2.429 20 30 FEEDRO C=CCOc1cccc(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](CC)C[C@@H]2C)c1 ZINC000249186995 549566572 /nfs/dbraw/zinc/56/65/72/549566572.db2.gz OGNBQLOLHXHUDD-MAUKXSAKSA-N 1 0 359.470 2.379 20 30 FEEDRO C[C@H](O)C[N@@H+]1CCN(Cc2cc(C#N)ccc2Br)[C@@H](C)C1 ZINC000249205349 549569706 /nfs/dbraw/zinc/56/97/06/549569706.db2.gz BDYUCAPOOFQKFX-STQMWFEESA-N 1 0 352.276 2.208 20 30 FEEDRO C[C@H](C[N@H+](C)Cc1ccccc1)NS(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000489710860 561417686 /nfs/dbraw/zinc/41/76/86/561417686.db2.gz UOQIOZIDLPUVDF-CQSZACIVSA-N 1 0 361.442 2.496 20 30 FEEDRO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N(C)[C@H]1CCN(c2ccccc2F)C1=O ZINC000489764001 561418494 /nfs/dbraw/zinc/41/84/94/561418494.db2.gz GSISNVRZVDNHST-CFLQYTFWSA-N 1 0 374.460 2.306 20 30 FEEDRO C=C(C)CN(CC)C(=O)[C@H](C)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000250292002 549640651 /nfs/dbraw/zinc/64/06/51/549640651.db2.gz UFNSOOSUZJGPDT-AQNXPRMDSA-N 1 0 364.578 2.290 20 30 FEEDRO C=CCCS(=O)(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1CN(C)CCO1 ZINC000252735319 549678535 /nfs/dbraw/zinc/67/85/35/549678535.db2.gz JZEBJPWKOVDMCY-CVEARBPZSA-N 1 0 358.891 2.207 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Cc1c(C)[nH]c2ccnn2c1=O)C(C)C ZINC000253542554 549692712 /nfs/dbraw/zinc/69/27/12/549692712.db2.gz DVOBNOBRRJDJFK-KRWDZBQOSA-N 1 0 371.485 2.101 20 30 FEEDRO N#Cc1ccc(NCC(=O)NCC2([NH+]3CCOCC3)CCCCC2)cc1 ZINC000253614227 549699240 /nfs/dbraw/zinc/69/92/40/549699240.db2.gz BEMMFHIYMCZTAR-UHFFFAOYSA-N 1 0 356.470 2.121 20 30 FEEDRO COCC[N@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)[C@H]1CCOC1 ZINC000490057804 561425374 /nfs/dbraw/zinc/42/53/74/561425374.db2.gz UCSGWQAGWKDZMS-HNNXBMFYSA-N 1 0 351.834 2.278 20 30 FEEDRO C[NH+]=C(NCc1cccc(N(C)C)n1)NC1CCN(c2ccccc2)CC1 ZINC000261675110 549741590 /nfs/dbraw/zinc/74/15/90/549741590.db2.gz HDVZTZVGAGICEO-UHFFFAOYSA-N 1 0 366.513 2.482 20 30 FEEDRO COc1ccc(CNC(=[NH2+])N[C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)cc1OC ZINC000261701598 549744672 /nfs/dbraw/zinc/74/46/72/549744672.db2.gz UASYMMJBHOKGLS-BMGDILEWSA-N 1 0 359.470 2.456 20 30 FEEDRO CC[NH+]=C(NC[C@H](C)c1c(C)noc1C)N1CCO[C@@H](c2cnn(C)c2)C1 ZINC000261705454 549744696 /nfs/dbraw/zinc/74/46/96/549744696.db2.gz GRWDWNZQEORNER-SUMWQHHRSA-N 1 0 374.489 2.167 20 30 FEEDRO C[NH+]=C(NCCc1ccc(Cl)s1)N1CCO[C@@H](c2cnn(C)c2)C1 ZINC000261717327 549746683 /nfs/dbraw/zinc/74/66/83/549746683.db2.gz HZNWNDKWWYPKDC-CQSZACIVSA-N 1 0 367.906 2.326 20 30 FEEDRO Cc1nnc(CNC(=[NH+]C2CC2)N2CC[C@@H](Cc3ccccc3)C2)n1C ZINC000261953212 549773677 /nfs/dbraw/zinc/77/36/77/549773677.db2.gz HYMVEFMWQBOINB-KRWDZBQOSA-N 1 0 352.486 2.296 20 30 FEEDRO COc1ccc(NC(=[NH2+])NCC(=O)N2CCCc3ccccc32)cc1OC ZINC000261969739 549775398 /nfs/dbraw/zinc/77/53/98/549775398.db2.gz CUNRGBHFWGRARK-UHFFFAOYSA-N 1 0 368.437 2.410 20 30 FEEDRO C[NH+]=C(NCc1nccn1C(F)F)N1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000262007056 549779789 /nfs/dbraw/zinc/77/97/89/549779789.db2.gz VWAKUAHVORHJET-CHWSQXEVSA-N 1 0 351.405 2.133 20 30 FEEDRO C[NH+]=C(NCc1nncn1-c1ccccc1)N[C@H]1CCc2ccccc2C1 ZINC000262186351 549797180 /nfs/dbraw/zinc/79/71/80/549797180.db2.gz GDZTVDLUNWNTLW-SFHVURJKSA-N 1 0 360.465 2.490 20 30 FEEDRO C[NH+]=C(NCc1nnc2n1CCCCC2)N[C@H]1CCc2ccccc2C1 ZINC000262270977 549805008 /nfs/dbraw/zinc/80/50/08/549805008.db2.gz UVKBPUOJYISXBO-KRWDZBQOSA-N 1 0 352.486 2.227 20 30 FEEDRO C[NH+]=C(NCc1nnc2n1CCCC2)N1CC[C@@H](c2ccccc2C)C1 ZINC000262484552 549823653 /nfs/dbraw/zinc/82/36/53/549823653.db2.gz SIYYQLSIGFTZNX-MRXNPFEDSA-N 1 0 352.486 2.488 20 30 FEEDRO CC[NH+]=C(NCc1ccc2c(c1)OCO2)N1CC[C@H](c2cnn(C)c2)C1 ZINC000262501059 549824756 /nfs/dbraw/zinc/82/47/56/549824756.db2.gz YJVKGKDUOVOCTR-HNNXBMFYSA-N 1 0 355.442 2.104 20 30 FEEDRO [NH2+]=C(NCCN1C(=O)Cc2ccccc21)N[C@H]1CCOc2ccccc21 ZINC000262546836 549827311 /nfs/dbraw/zinc/82/73/11/549827311.db2.gz SFWKBSQFSKOONM-INIZCTEOSA-N 1 0 350.422 2.004 20 30 FEEDRO Cc1ccc(NC(=[NH2+])NC[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)cc1C ZINC000262675935 549837752 /nfs/dbraw/zinc/83/77/52/549837752.db2.gz UABMIMAHFLANLR-HOCLYGCPSA-N 1 0 352.504 2.138 20 30 FEEDRO C=CCc1ccccc1OC[C@H](O)C[N@H+]1C[C@@H](CC)[C@@H](N2CCOCC2)C1 ZINC000490415572 561432646 /nfs/dbraw/zinc/43/26/46/561432646.db2.gz KGNCRKPHAGZDPA-NRSPTQNISA-N 1 0 374.525 2.197 20 30 FEEDRO N#Cc1c(Cl)cccc1S(=O)(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000262725967 549843461 /nfs/dbraw/zinc/84/34/61/549843461.db2.gz AJJSRZDSMBZINM-UHFFFAOYSA-N 1 0 353.875 2.364 20 30 FEEDRO CCN1CC[NH+](CCCCNC(=O)CSc2ccc(C#N)cc2)CC1 ZINC000490541660 561434672 /nfs/dbraw/zinc/43/46/72/561434672.db2.gz IFLLMZCFBLXELS-UHFFFAOYSA-N 1 0 360.527 2.184 20 30 FEEDRO CC[NH+]=C(NCc1cccnc1N1CCOCC1)N1CCc2ccccc21 ZINC000263253055 549889607 /nfs/dbraw/zinc/88/96/07/549889607.db2.gz PQXNAERCXPLBQB-UHFFFAOYSA-N 1 0 365.481 2.446 20 30 FEEDRO C[NH+]=C(NCc1ccc(S(=O)(=O)N(C)C)cc1)N1CCc2ccccc21 ZINC000263268692 549890904 /nfs/dbraw/zinc/89/09/04/549890904.db2.gz WFUWDAZIRBZZLY-UHFFFAOYSA-N 1 0 372.494 2.075 20 30 FEEDRO N#Cc1ccccc1N1CCN(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000263676434 549917706 /nfs/dbraw/zinc/91/77/06/549917706.db2.gz IAUSFWWHTUQINP-HKUYNNGSSA-N 1 0 353.470 2.017 20 30 FEEDRO CCOCCC[NH+]=C(NCCc1cnn(C)c1)NCc1ccc(OC)cc1 ZINC000263956206 549959962 /nfs/dbraw/zinc/95/99/62/549959962.db2.gz IGDCAUGUXVCHIS-UHFFFAOYSA-N 1 0 373.501 2.133 20 30 FEEDRO CCOC(=O)N1CCC(NC(=[NH2+])NCCc2c[nH]c3ccccc23)CC1 ZINC000264056186 549973698 /nfs/dbraw/zinc/97/36/98/549973698.db2.gz AVXHAWSJFNVWIK-UHFFFAOYSA-N 1 0 357.458 2.236 20 30 FEEDRO CCc1nc(CCNC(=[NH2+])NCCc2ccc(OC)c(OC)c2)cs1 ZINC000264069220 549975687 /nfs/dbraw/zinc/97/56/87/549975687.db2.gz CRSJWBIXERIAMR-UHFFFAOYSA-N 1 0 362.499 2.412 20 30 FEEDRO CC(C)(CNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1)N1CCOCC1 ZINC000264076546 549976240 /nfs/dbraw/zinc/97/62/40/549976240.db2.gz HMGHTOMPGVOSRR-UHFFFAOYSA-N 1 0 360.380 2.423 20 30 FEEDRO CCOC(=O)N1CCC(NC(=[NH2+])NCCc2csc(C(C)C)n2)CC1 ZINC000264085373 549977467 /nfs/dbraw/zinc/97/74/67/549977467.db2.gz JESFJMHQKLHEIY-UHFFFAOYSA-N 1 0 367.519 2.334 20 30 FEEDRO CCc1cccc(NC(=[NH2+])NC[C@@H](O)COc2ccc3c(c2)OCO3)c1 ZINC000264088720 549977799 /nfs/dbraw/zinc/97/77/99/549977799.db2.gz KFLTYQSMXNUSCY-OAHLLOKOSA-N 1 0 357.410 2.144 20 30 FEEDRO CCOC(=O)N1CCC(NC(=[NH2+])NCCCc2ccc(OC)cc2)CC1 ZINC000264092756 549978354 /nfs/dbraw/zinc/97/83/54/549978354.db2.gz LJIVKPSQZNASHQ-UHFFFAOYSA-N 1 0 362.474 2.153 20 30 FEEDRO COc1ccc(CCNC(=[NH2+])NC[C@H]2CCN(CC(F)(F)F)C2)cc1 ZINC000264119618 549981191 /nfs/dbraw/zinc/98/11/91/549981191.db2.gz UNCCLSRCZQRICY-CQSZACIVSA-N 1 0 358.408 2.026 20 30 FEEDRO CCNC(=O)c1cccc(CNC(=[NH2+])NCCc2ccc(OC)cc2)c1 ZINC000264122850 549981819 /nfs/dbraw/zinc/98/18/19/549981819.db2.gz VITJLJZJKRVJRX-UHFFFAOYSA-N 1 0 354.454 2.092 20 30 FEEDRO COc1ccc([C@H](CNC(=[NH2+])Nc2ccccc2)N2CCOCC2)cc1 ZINC000264136290 549983855 /nfs/dbraw/zinc/98/38/55/549983855.db2.gz VIRXTFMOMYQBIJ-IBGZPJMESA-N 1 0 354.454 2.495 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)NCc2c(OC)cc(OC)cc2OC)CC1 ZINC000264448131 549996056 /nfs/dbraw/zinc/99/60/56/549996056.db2.gz YBOOSYWBZHQVJI-UHFFFAOYSA-N 1 0 363.458 2.162 20 30 FEEDRO C[C@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)Cc1ccc(OCC#N)cc1 ZINC000264580957 549998557 /nfs/dbraw/zinc/99/85/57/549998557.db2.gz VGWCKZGVPMUUHT-CQSZACIVSA-N 1 0 359.451 2.429 20 30 FEEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1CCC[C@@H]([NH+](C)C)C1 ZINC000264656386 549999451 /nfs/dbraw/zinc/99/94/51/549999451.db2.gz ZPDUNOKCMCEDFJ-DLBZAZTESA-N 1 0 358.486 2.356 20 30 FEEDRO N#CCCSc1ccccc1NC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000264790719 550001575 /nfs/dbraw/zinc/00/15/75/550001575.db2.gz VZXDLOBJWIQVPK-GDBMZVCRSA-N 1 0 372.494 2.374 20 30 FEEDRO C=CC[C@H](C)NC(=O)N1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000265841647 550014460 /nfs/dbraw/zinc/01/44/60/550014460.db2.gz XELRYOMOMZZBAC-KRWDZBQOSA-N 1 0 360.502 2.423 20 30 FEEDRO C=CCc1ccc(OC[C@@H](O)CNC(C)(C)C(=O)OCC)c(OC)c1 ZINC000266012414 550016196 /nfs/dbraw/zinc/01/61/96/550016196.db2.gz SODTUAGESKANPX-HNNXBMFYSA-N 1 0 351.443 2.095 20 30 FEEDRO C#CCOc1cc(F)ccc1NC(=O)NCCCC[N@H+]1CCC[C@@H]1CO ZINC000266369473 550020041 /nfs/dbraw/zinc/02/00/41/550020041.db2.gz FXHLJXBUPUOMLM-MRXNPFEDSA-N 1 0 363.433 2.196 20 30 FEEDRO CO/N=C/c1ccc(C(=O)N2CCC(OCC[NH+]3CCCC3)CC2)cc1 ZINC000266662803 550023155 /nfs/dbraw/zinc/02/31/55/550023155.db2.gz RMRUARVFOXBHDA-LTGZKZEYSA-N 1 0 359.470 2.384 20 30 FEEDRO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCC[C@H](CC(N)=O)C1 ZINC000266925903 550025924 /nfs/dbraw/zinc/02/59/24/550025924.db2.gz KAFHQEKRDXAENB-LSDHHAIUSA-N 1 0 360.433 2.048 20 30 FEEDRO C#CCOc1cc(F)ccc1NC(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000267199754 550028352 /nfs/dbraw/zinc/02/83/52/550028352.db2.gz SBIIARULNWZPFJ-UHFFFAOYSA-N 1 0 361.417 2.166 20 30 FEEDRO Cc1ccc(CNC(Nc2ccccc2)=[NH+]C[C@@H]2CC[C@H](C(N)=O)O2)cc1 ZINC000268375331 550056142 /nfs/dbraw/zinc/05/61/42/550056142.db2.gz IKRXEXUACIXLMR-RBUKOAKNSA-N 1 0 366.465 2.395 20 30 FEEDRO CN([C@@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)c1cccc(C#N)c1 ZINC000268563368 550087873 /nfs/dbraw/zinc/08/78/73/550087873.db2.gz OXIBXWAAHTWPHQ-GOSISDBHSA-N 1 0 355.463 2.453 20 30 FEEDRO C=CCCS(=O)(=O)NC1CC[NH+](CCOc2ccc(F)cc2)CC1 ZINC000268814977 550119213 /nfs/dbraw/zinc/11/92/13/550119213.db2.gz VJDIMHPXUXNMNO-UHFFFAOYSA-N 1 0 356.463 2.164 20 30 FEEDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2ccc(C#N)cc2Cl)C1 ZINC000269058286 550150101 /nfs/dbraw/zinc/15/01/01/550150101.db2.gz ANQXCYBLPKXMBY-CQSZACIVSA-N 1 0 362.861 2.340 20 30 FEEDRO CC(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(C#N)cc2Cl)CC1 ZINC000269082920 550152308 /nfs/dbraw/zinc/15/23/08/550152308.db2.gz IJYXLMAQRUDBDA-UHFFFAOYSA-N 1 0 362.861 2.387 20 30 FEEDRO C=C(Cl)CNC(=O)C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000269096934 550154386 /nfs/dbraw/zinc/15/43/86/550154386.db2.gz MRFFGYZMCWTXMY-UHFFFAOYSA-N 1 0 365.861 2.359 20 30 FEEDRO COc1ccc(C[NH2+]CCn2cc([N+](=O)[O-])cn2)cc1OCCCC#N ZINC000269172383 550163466 /nfs/dbraw/zinc/16/34/66/550163466.db2.gz ZPIWSNZHNMYMPJ-UHFFFAOYSA-N 1 0 359.386 2.272 20 30 FEEDRO C#CCN(Cc1ccc(F)cc1)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000269245698 550171719 /nfs/dbraw/zinc/17/17/19/550171719.db2.gz IKCCTSAJQNQAFE-WOJBJXKFSA-N 1 0 373.472 2.348 20 30 FEEDRO CO/N=C/c1ccc(C(=O)N2CCN(C3CC[NH+](C(C)C)CC3)CC2)cc1 ZINC000269330773 550182501 /nfs/dbraw/zinc/18/25/01/550182501.db2.gz ABZCZNZFHHCPBK-CJLVFECKSA-N 1 0 372.513 2.298 20 30 FEEDRO CN(Cc1cccc(C#N)c1)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000269356577 550184848 /nfs/dbraw/zinc/18/48/48/550184848.db2.gz STZFYPBBRJOABW-OALUTQOASA-N 1 0 356.470 2.077 20 30 FEEDRO CCOC(=O)C1(O)CCN(CC#Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000269620539 550211452 /nfs/dbraw/zinc/21/14/52/550211452.db2.gz NODWLDZTWJZBIF-UHFFFAOYSA-N 1 0 371.355 2.327 20 30 FEEDRO N#Cc1cccc(C2(NC(=O)NC3CC[NH+](C[C@@H]4CCOC4)CC3)CC2)c1 ZINC000269719103 550220011 /nfs/dbraw/zinc/22/00/11/550220011.db2.gz SNZFTTOQXXFIFX-KRWDZBQOSA-N 1 0 368.481 2.347 20 30 FEEDRO C[C@H](CC[NH+](C)C)NC(=O)C(=O)Nc1nc(-c2cccc(C#N)c2)cs1 ZINC000269778874 550224569 /nfs/dbraw/zinc/22/45/69/550224569.db2.gz AMSMALDLFLYWBM-GFCCVEGCSA-N 1 0 371.466 2.077 20 30 FEEDRO CCOC(=O)c1cnc(C)c(NC(=O)N(CCC#N)CCC[NH+](C)C)c1 ZINC000493924146 561459519 /nfs/dbraw/zinc/45/95/19/561459519.db2.gz BFIKKRVSUYTCEU-UHFFFAOYSA-N 1 0 361.446 2.266 20 30 FEEDRO C#CCCC[NH+]1CCN(CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000271047387 550335191 /nfs/dbraw/zinc/33/51/91/550335191.db2.gz OQRVEPWRZXLGMP-UHFFFAOYSA-N 1 0 364.287 2.419 20 30 FEEDRO C=CCC(CC=C)C(=O)N(CC[NH+](CC)CC)[C@@H]1CCS(=O)(=O)C1 ZINC000271073459 550337505 /nfs/dbraw/zinc/33/75/05/550337505.db2.gz OKBZEGODTCSEQN-QGZVFWFLSA-N 1 0 356.532 2.112 20 30 FEEDRO [NH2+]=C(NCc1cccc(C(=O)N2CCOCC2)c1)NC1CCCCCC1 ZINC000271243941 550357092 /nfs/dbraw/zinc/35/70/92/550357092.db2.gz FRTUWGODHYIORW-UHFFFAOYSA-N 1 0 358.486 2.286 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)[C@@H]2CC(=O)N(c3c(F)cccc3F)C2)CC1 ZINC000271465897 550377575 /nfs/dbraw/zinc/37/75/75/550377575.db2.gz KIJAGOCMLZPMKU-CYBMUJFWSA-N 1 0 363.408 2.084 20 30 FEEDRO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CCNC(=O)C1N=CC=CC1=O ZINC000271536741 550383524 /nfs/dbraw/zinc/38/35/24/550383524.db2.gz XVEGPOCGDFYMBS-XANXLALBSA-N 1 0 368.481 2.013 20 30 FEEDRO C[C@@H]1C[C@H](CNC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)CCO1 ZINC000271604385 550389187 /nfs/dbraw/zinc/38/91/87/550389187.db2.gz UYKLMCVMJKFATH-VQIMIIECSA-N 1 0 358.486 2.447 20 30 FEEDRO C=CCc1ccc(OC[C@H](O)C[N@H+](C)CCCn2ccnc2)c(OC)c1 ZINC000271615476 550390423 /nfs/dbraw/zinc/39/04/23/550390423.db2.gz DBRHFMPNHLLDGR-GOSISDBHSA-N 1 0 359.470 2.382 20 30 FEEDRO COc1cccc([C@@H](C)[NH2+]CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)c1 ZINC000271708432 550396675 /nfs/dbraw/zinc/39/66/75/550396675.db2.gz UPGMWZFRMNQYMG-VQIMIIECSA-N 1 0 358.486 2.038 20 30 FEEDRO COC(=O)C1(NC(=O)C[NH2+]C2(c3cccc(C#N)c3)CC2)CCCCC1 ZINC000271809030 550403236 /nfs/dbraw/zinc/40/32/36/550403236.db2.gz QLTXMSVOCNEVOO-UHFFFAOYSA-N 1 0 355.438 2.129 20 30 FEEDRO COc1cc(C[NH2+][C@H](C)c2ccc(C#N)c(F)c2)ccc1OCC(N)=O ZINC000271947691 550412922 /nfs/dbraw/zinc/41/29/22/550412922.db2.gz NTAFIDMDXFUWIB-GFCCVEGCSA-N 1 0 357.385 2.421 20 30 FEEDRO C=CCN(CCc1ccco1)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000272418558 550446327 /nfs/dbraw/zinc/44/63/27/550446327.db2.gz BBUFJIPLUYLLNM-RBUKOAKNSA-N 1 0 361.486 2.398 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(F)cc2OC(C)C)CC1 ZINC000272575547 550458753 /nfs/dbraw/zinc/45/87/53/550458753.db2.gz GDULOVLJGLCGPS-UHFFFAOYSA-N 1 0 363.433 2.318 20 30 FEEDRO C=CCS(=O)(=O)CC[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000272826201 550472251 /nfs/dbraw/zinc/47/22/51/550472251.db2.gz GUUGGJGACAPSCZ-UHFFFAOYSA-N 1 0 356.919 2.495 20 30 FEEDRO N#Cc1ccccc1CN1C(=O)N[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1=O ZINC000274302812 550531958 /nfs/dbraw/zinc/53/19/58/550531958.db2.gz FXFPRKOVDIYXTF-OAQYLSRUSA-N 1 0 360.417 2.255 20 30 FEEDRO C=C(C)[C@@H](NC(=O)NC[C@H]1C[N@@H+](C)CCN1C)c1ccc(F)c(F)c1 ZINC000274712173 550550316 /nfs/dbraw/zinc/55/03/16/550550316.db2.gz AVDPAPVUSAPBSY-WMLDXEAASA-N 1 0 352.429 2.127 20 30 FEEDRO Cc1ccsc1[C@@H](CO)[NH2+]CCS(=O)(=O)c1cccc(C#N)c1 ZINC000494662066 561473568 /nfs/dbraw/zinc/47/35/68/561473568.db2.gz ADVFNCSJCHZLFN-OAHLLOKOSA-N 1 0 350.465 2.025 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1ccccc1OCC1CC1 ZINC000275946819 550575472 /nfs/dbraw/zinc/57/54/72/550575472.db2.gz YCXVLYZAYXQJCM-UHFFFAOYSA-N 1 0 372.469 2.108 20 30 FEEDRO C[C@@H](CC#N)NC(=O)C(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000276021397 550575932 /nfs/dbraw/zinc/57/59/32/550575932.db2.gz NFZYDEAMTNAOAB-INIZCTEOSA-N 1 0 356.470 2.318 20 30 FEEDRO CS[C@H]1CN(C(=O)Nc2ncccc2OCCCC#N)C[C@@H]1[NH+](C)C ZINC000276120096 550577056 /nfs/dbraw/zinc/57/70/56/550577056.db2.gz WPHJZUFECQMICK-ZFWWWQNUSA-N 1 0 363.487 2.273 20 30 FEEDRO C=CCC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1 ZINC000276476226 550578869 /nfs/dbraw/zinc/57/88/69/550578869.db2.gz SFWGVGLDBHKDNI-AWEZNQCLSA-N 1 0 353.488 2.208 20 30 FEEDRO CCCCCCCCNC(=[NH2+])NCc1ccc(S(=O)(=O)CCO)cc1 ZINC000276598702 550579371 /nfs/dbraw/zinc/57/93/71/550579371.db2.gz HTUJWSKTJUGCEG-UHFFFAOYSA-N 1 0 369.531 2.217 20 30 FEEDRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)c1cccnc1C#N ZINC000276980549 550617828 /nfs/dbraw/zinc/61/78/28/550617828.db2.gz GYGOFTIOQTVHKV-KRWDZBQOSA-N 1 0 370.478 2.096 20 30 FEEDRO C=CCOc1cccc(NC(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)c1 ZINC000278262633 550766424 /nfs/dbraw/zinc/76/64/24/550766424.db2.gz WQNOXSSRJVGPJK-UHFFFAOYSA-N 1 0 357.454 2.181 20 30 FEEDRO C[C@@](O)(C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)c1ccco1 ZINC000278564681 550799647 /nfs/dbraw/zinc/79/96/47/550799647.db2.gz CXENDVYEVLUBQO-LJQANCHMSA-N 1 0 351.410 2.449 20 30 FEEDRO C#CCn1ccc(CN(CC)C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)n1 ZINC000278713935 550814379 /nfs/dbraw/zinc/81/43/79/550814379.db2.gz KGWKFPLBESDKLS-GOSISDBHSA-N 1 0 369.469 2.478 20 30 FEEDRO CCO[C@H](CC[NH+](C)C)CNC(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000279389829 550884772 /nfs/dbraw/zinc/88/47/72/550884772.db2.gz HBVPXYRKZPYQEL-MRXNPFEDSA-N 1 0 356.426 2.300 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1nc(C2CCC2)cs1 ZINC000279457170 550892178 /nfs/dbraw/zinc/89/21/78/550892178.db2.gz TYJJDXKTQKVIBS-UHFFFAOYSA-N 1 0 363.487 2.043 20 30 FEEDRO C[C@@H]1OCC[C@@]12CN([C@@H]1CCCN(c3ccc(C#N)cc3)C1=O)C[C@@H](C)O2 ZINC000279782094 550928251 /nfs/dbraw/zinc/92/82/51/550928251.db2.gz NRXAYAHBWMJKJL-NNNWTRQLSA-N 1 0 369.465 2.322 20 30 FEEDRO C[C@H](O)C[C@H]1CCCCN1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000279806090 550931039 /nfs/dbraw/zinc/93/10/39/550931039.db2.gz POVNPGJHLJBMGI-MAUKXSAKSA-N 1 0 367.453 2.308 20 30 FEEDRO CNC(NCc1cc(Cl)c(I)cc1OC)=[NH+]C ZINC000280038991 550955101 /nfs/dbraw/zinc/95/51/01/550955101.db2.gz LXYRVHWJJIJZIW-UHFFFAOYSA-N 1 0 367.618 2.248 20 30 FEEDRO Cc1nc(C#N)c(N2CCC(C(=O)N(C)C3CC[NH+](C(C)C)CC3)CC2)o1 ZINC000280062921 550957466 /nfs/dbraw/zinc/95/74/66/550957466.db2.gz XAKCSKNXFLJLGN-UHFFFAOYSA-N 1 0 373.501 2.402 20 30 FEEDRO CS(=O)(=O)C1(CNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)CCC1 ZINC000280077668 550958672 /nfs/dbraw/zinc/95/86/72/550958672.db2.gz VESXPJMZKYGAJI-UHFFFAOYSA-N 1 0 365.377 2.279 20 30 FEEDRO Cc1nc(C#N)c(N2CCC(C(=O)NC3C[C@H]4CCC[C@@H](C3)[N@H+]4C)CC2)o1 ZINC000280263777 550975192 /nfs/dbraw/zinc/97/51/92/550975192.db2.gz VDUIYZBTBQXECW-ALOPSCKCSA-N 1 0 371.485 2.203 20 30 FEEDRO COC(=O)[C@@H]1C[N@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C[C@H]1C ZINC000280430242 550992945 /nfs/dbraw/zinc/99/29/45/550992945.db2.gz ZXUDOPWYEOILCN-RHSMWYFYSA-N 1 0 353.426 2.100 20 30 FEEDRO Cc1oc(C#N)cc1C(=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000280981144 551051730 /nfs/dbraw/zinc/05/17/30/551051730.db2.gz DAXMPDQRMHVQNY-LPHOPBHVSA-N 1 0 353.422 2.073 20 30 FEEDRO C=CCN1CC[C@H]([N@@H+](C)CCC(=O)Nc2cc(Cl)ccc2OC)C1=O ZINC000281197763 551072946 /nfs/dbraw/zinc/07/29/46/551072946.db2.gz CGKXSNQVBBQQMN-HNNXBMFYSA-N 1 0 365.861 2.396 20 30 FEEDRO C=CCN1CC[C@H]([N@H+](C)C[C@@H](O)CO[C@H]2CCCc3ccccc32)C1=O ZINC000281282746 551080906 /nfs/dbraw/zinc/08/09/06/551080906.db2.gz IUHGUVAUZBQLCY-HOJAQTOUSA-N 1 0 358.482 2.160 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N2CC[C@@H](C(=O)N(C)c3ccccc3)C2)CC1 ZINC000281642856 551124892 /nfs/dbraw/zinc/12/48/92/551124892.db2.gz MJBYACKYZUQYIY-QGZVFWFLSA-N 1 0 370.497 2.331 20 30 FEEDRO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000281893506 551154022 /nfs/dbraw/zinc/15/40/22/551154022.db2.gz UPEJTKMDCLSHAJ-IEBWSBKVSA-N 1 0 361.486 2.407 20 30 FEEDRO C=C(C)[C@H]1OCC[C@H]1CNC(=O)NCc1ccccc1OCC[NH+](C)C ZINC000281973184 551164358 /nfs/dbraw/zinc/16/43/58/551164358.db2.gz ZJHXPGCYCHMYHY-PKOBYXMFSA-N 1 0 361.486 2.407 20 30 FEEDRO C=CCN1CC[C@H]([NH+]2CCC(Nc3cc(OC)cc(OC)c3)CC2)C1=O ZINC000282134223 551185233 /nfs/dbraw/zinc/18/52/33/551185233.db2.gz ZBVMGZWLZSLVPU-IBGZPJMESA-N 1 0 359.470 2.367 20 30 FEEDRO CS(=O)(=O)C[C@@H]([NH2+]CCCC1(C#N)CCOCC1)c1ccccc1 ZINC000282134222 551185262 /nfs/dbraw/zinc/18/52/62/551185262.db2.gz ZBVCMBZSRMEWSB-QGZVFWFLSA-N 1 0 350.484 2.462 20 30 FEEDRO C=CCn1c(Cn2nc(C)cc2C)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC000282209457 551195769 /nfs/dbraw/zinc/19/57/69/551195769.db2.gz HQUWXVJIUPAHHB-UHFFFAOYSA-N 1 0 369.517 2.390 20 30 FEEDRO C=CCn1c(-c2ccccc2)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000282288230 551207155 /nfs/dbraw/zinc/20/71/55/551207155.db2.gz NOPWIHNDZYAUJT-KRWDZBQOSA-N 1 0 353.470 2.290 20 30 FEEDRO C[C@@H](CC#N)N(C)S(=O)(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000282326690 551212083 /nfs/dbraw/zinc/21/20/83/551212083.db2.gz ARHABCTWKIPWFS-INIZCTEOSA-N 1 0 364.515 2.062 20 30 FEEDRO Cc1nc(C#N)c(N2CCC(C(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)CC2)o1 ZINC000282782567 551269862 /nfs/dbraw/zinc/26/98/62/551269862.db2.gz FFUHJGFIYYMLCE-UHFFFAOYSA-N 1 0 373.501 2.497 20 30 FEEDRO C[C@H](CC#N)N(C)S(=O)(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000283124818 551315629 /nfs/dbraw/zinc/31/56/29/551315629.db2.gz ZGENXXJWCZAPJB-HUUCEWRRSA-N 1 0 352.504 2.184 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCc2ccc(OC(C)C)cc2)CC1 ZINC000283704215 551412817 /nfs/dbraw/zinc/41/28/17/551412817.db2.gz CWFRQLWJBYSMCT-UHFFFAOYSA-N 1 0 373.497 2.247 20 30 FEEDRO CC[NH+](CC)[C@@H](CNC(=O)C(=O)NCCCCC#N)c1ccsc1 ZINC000283916856 551449522 /nfs/dbraw/zinc/44/95/22/551449522.db2.gz DQXZBRJKRLIBJZ-HNNXBMFYSA-N 1 0 350.488 2.057 20 30 FEEDRO C[N@@H+]1CCN(C[C@@H](O)COc2ccc(C#N)cc2)C[C@@H]1Cc1ccccc1 ZINC000283992905 551463796 /nfs/dbraw/zinc/46/37/96/551463796.db2.gz DECKJOXSNPWHJV-LEWJYISDSA-N 1 0 365.477 2.157 20 30 FEEDRO Cc1nc2ccccn2c(=O)c1CC[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000283997215 551464872 /nfs/dbraw/zinc/46/48/72/551464872.db2.gz JPMBOWAXKAWEDM-UHFFFAOYSA-N 1 0 373.460 2.239 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CCCc3ccccc32)CC1 ZINC000284093373 551482348 /nfs/dbraw/zinc/48/23/48/551482348.db2.gz MKHDZCQLNNTSHL-SFHVURJKSA-N 1 0 369.509 2.379 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N(C)[C@@H](C)c1ccccn1)C(C)C ZINC000284097584 551483172 /nfs/dbraw/zinc/48/31/72/551483172.db2.gz PKHFVBURNUQLDS-PKOBYXMFSA-N 1 0 372.513 2.416 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)NCCc2ccc(C(C)(C)C)cc2)CC1 ZINC000284107310 551485068 /nfs/dbraw/zinc/48/50/68/551485068.db2.gz MUEGVVVGRIKYRN-UHFFFAOYSA-N 1 0 371.525 2.409 20 30 FEEDRO N#Cc1cccc(CNC(=O)C(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)c1 ZINC000284178397 551498773 /nfs/dbraw/zinc/49/87/73/551498773.db2.gz ZHGQZILKZXIALR-IBGZPJMESA-N 1 0 368.481 2.088 20 30 FEEDRO Cc1cc(=O)[nH]c(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)c1 ZINC000498221601 561518951 /nfs/dbraw/zinc/51/89/51/561518951.db2.gz IVQJQHWQHHOSPE-UHFFFAOYSA-N 1 0 350.422 2.384 20 30 FEEDRO COc1ccccc1[C@@H](CNC(=O)Cc1noc(C)c1C#N)[NH+]1CCCC1 ZINC000498537488 561527303 /nfs/dbraw/zinc/52/73/03/561527303.db2.gz AQTYYKQFNPKWOM-GOSISDBHSA-N 1 0 368.437 2.359 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N[C@@H](C)c1ccccn1)C(C)C ZINC000284786199 551632937 /nfs/dbraw/zinc/63/29/37/551632937.db2.gz KCBZAGSKIISALV-WMZOPIPTSA-N 1 0 358.486 2.074 20 30 FEEDRO CC[N@@H+]1C[C@@H](C)N(C(=O)CCc2c(C)nc3c(C#N)cnn3c2C)C[C@@H]1C ZINC000498584266 561529444 /nfs/dbraw/zinc/52/94/44/561529444.db2.gz QITQNYSJYKTOQG-UONOGXRCSA-N 1 0 368.485 2.092 20 30 FEEDRO COCC[NH+](CCOC)C1CCN(C(=O)Nc2ccc(C#N)cc2)CC1 ZINC000285508158 551767006 /nfs/dbraw/zinc/76/70/06/551767006.db2.gz DEVBAOWWLNXBKT-UHFFFAOYSA-N 1 0 360.458 2.149 20 30 FEEDRO CN(CC1CC[NH+](C)CC1)C(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC000286006424 551837377 /nfs/dbraw/zinc/83/73/77/551837377.db2.gz DUABEZIVSZUHAD-KRWDZBQOSA-N 1 0 358.461 2.324 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCc2cccc3cccnc32)CC1 ZINC000286047960 551842875 /nfs/dbraw/zinc/84/28/75/551842875.db2.gz WWKJWSDIKPDIED-UHFFFAOYSA-N 1 0 366.465 2.008 20 30 FEEDRO C[C@@H]1C[C@H](N(C)C(=O)C(=O)NCCCCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000286363164 551878850 /nfs/dbraw/zinc/87/88/50/551878850.db2.gz CNGDKHZVZXXILS-IEBWSBKVSA-N 1 0 370.497 2.308 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC(C)(C)c3ccccc32)CC1 ZINC000286492151 551892101 /nfs/dbraw/zinc/89/21/01/551892101.db2.gz JVNVMSLSZFIJNA-GOSISDBHSA-N 1 0 355.482 2.292 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2C[C@H](C)[C@H]2c2ccccc2)CC1 ZINC000286626999 551908164 /nfs/dbraw/zinc/90/81/64/551908164.db2.gz MEKWKAJFEVEKDS-LPHOPBHVSA-N 1 0 355.482 2.363 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(C)[C@@H](CC)c2ccncc2)CC1 ZINC000286724886 551919117 /nfs/dbraw/zinc/91/91/17/551919117.db2.gz REROUOMBWFYKIH-SFHVURJKSA-N 1 0 358.486 2.148 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N2C[C@@H](c3ccccc3C)C[C@@H]2C)CC1 ZINC000286754243 551922358 /nfs/dbraw/zinc/92/23/58/551922358.db2.gz SVPYGRURMCVSCQ-ROUUACIJSA-N 1 0 369.509 2.466 20 30 FEEDRO C=C(CNC(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1)c1ccccc1 ZINC000287007575 551951117 /nfs/dbraw/zinc/95/11/17/551951117.db2.gz HGPLXKWCXFGWMU-UHFFFAOYSA-N 1 0 365.481 2.346 20 30 FEEDRO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000287344726 551992254 /nfs/dbraw/zinc/99/22/54/551992254.db2.gz LDKGYSZALMEFNQ-QZTJIDSGSA-N 1 0 368.481 2.266 20 30 FEEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@H]([NH+]2CCCC2)[C@H]1C ZINC000287376980 551996321 /nfs/dbraw/zinc/99/63/21/551996321.db2.gz XNBZVXDVQXQTDJ-QAPCUYQASA-N 1 0 356.470 2.294 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)/N=c1/ccnc2n(C)[nH]cc1-2)C(C)C ZINC000287399608 551998931 /nfs/dbraw/zinc/99/89/31/551998931.db2.gz GOCOEKHNWRXSFT-CXJVOSNZSA-N 1 0 356.474 2.162 20 30 FEEDRO C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000287510903 552013708 /nfs/dbraw/zinc/01/37/08/552013708.db2.gz ULUKICQTAPRYAC-NRFANRHFSA-N 1 0 369.509 2.375 20 30 FEEDRO C=CCN(CCc1ccco1)C(=O)C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000287959258 552068103 /nfs/dbraw/zinc/06/81/03/552068103.db2.gz DFJIVERQJDASJY-UHFFFAOYSA-N 1 0 361.486 2.075 20 30 FEEDRO N#Cc1cc(N2CCC(OCC[NH+]3CCCC3)CC2)cc(N)c1[N+](=O)[O-] ZINC000288276252 552124247 /nfs/dbraw/zinc/12/42/47/552124247.db2.gz HCSVJTSBPOFGPS-UHFFFAOYSA-N 1 0 359.430 2.130 20 30 FEEDRO Cc1onc(CC(=O)N(CC[NH+](C)C)Cc2ccc(F)c(F)c2)c1C#N ZINC000499746331 561557525 /nfs/dbraw/zinc/55/75/25/561557525.db2.gz ANXJGAQZUHGIRS-UHFFFAOYSA-N 1 0 362.380 2.266 20 30 FEEDRO Cc1onc(CC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1C#N ZINC000499846596 561559677 /nfs/dbraw/zinc/55/96/77/561559677.db2.gz JZRJZOHXBOGZPA-KSSFIOAISA-N 1 0 352.438 2.424 20 30 FEEDRO N#Cc1cc(-c2nc(-c3ccccc3C[N@H+]3CCC[C@@H]3C(N)=O)no2)ccn1 ZINC000289114865 552268417 /nfs/dbraw/zinc/26/84/17/552268417.db2.gz QPCCZSKXDBOQDQ-QGZVFWFLSA-N 1 0 374.404 2.120 20 30 FEEDRO COc1ccc(C[N@@H+]2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)cc1C#N ZINC000289403787 552315593 /nfs/dbraw/zinc/31/55/93/552315593.db2.gz GCFUIVFEBJLPQW-ZDUSSCGKSA-N 1 0 355.360 2.457 20 30 FEEDRO COC(=O)[C@@H](N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)C1(OC)CCC1 ZINC000289442997 552322387 /nfs/dbraw/zinc/32/23/87/552322387.db2.gz WQIJDJJXORWBGY-LJQANCHMSA-N 1 0 371.481 2.177 20 30 FEEDRO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000500454233 561573521 /nfs/dbraw/zinc/57/35/21/561573521.db2.gz CSHQOOUQPUJNLV-UHFFFAOYSA-N 1 0 370.497 2.143 20 30 FEEDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)Nc1ccc(C#N)c(F)c1 ZINC000290323816 552460140 /nfs/dbraw/zinc/46/01/40/552460140.db2.gz VXPBJZFHNUWCED-MCIONIFRSA-N 1 0 360.433 2.118 20 30 FEEDRO COc1ccc(CCNC(=[NH2+])NC[C@@]2(CO)C[C@H]2c2ccccc2)cc1 ZINC000290486861 552487181 /nfs/dbraw/zinc/48/71/81/552487181.db2.gz GNJCAPPTGUJIJE-PZJWPPBQSA-N 1 0 353.466 2.308 20 30 FEEDRO C=C[C@@H](CO)NC(=O)Nc1cc(Cl)ccc1N1CC[NH+](CC)CC1 ZINC000290502829 552489430 /nfs/dbraw/zinc/48/94/30/552489430.db2.gz SFJLTDSEEJEBFC-AWEZNQCLSA-N 1 0 352.866 2.150 20 30 FEEDRO CCNC(NCc1cccc(N2C(=O)NC3(CCCC3)C2=O)c1)=[NH+]CC ZINC000290613099 552507068 /nfs/dbraw/zinc/50/70/68/552507068.db2.gz JQCFRDKHJMLPPX-UHFFFAOYSA-N 1 0 357.458 2.131 20 30 FEEDRO N#Cc1ccc(NC(=O)C(=O)N2CCC[N@@H+](C3CCCC3)CC2)cc1F ZINC000290882773 552555030 /nfs/dbraw/zinc/55/50/30/552555030.db2.gz UGFUBTSTVVZMSG-UHFFFAOYSA-N 1 0 358.417 2.113 20 30 FEEDRO C=C(C)Cn1c(-c2cnn(C)c2)nnc1N(C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000290888721 552555908 /nfs/dbraw/zinc/55/59/08/552555908.db2.gz BLSWXMDDWHCPHR-NVXWUHKLSA-N 1 0 357.506 2.421 20 30 FEEDRO CCN(CCC#N)C(=O)C[NH2+][C@H](C)c1ccc(N2CCCNC2=O)cc1 ZINC000291220356 552601668 /nfs/dbraw/zinc/60/16/68/552601668.db2.gz LKJOJVFENHIYTR-OAHLLOKOSA-N 1 0 357.458 2.019 20 30 FEEDRO C[N@@H+]1CC[C@]2(CCN(S(=O)(=O)c3ccc(C#N)cc3C(F)(F)F)C2)C1 ZINC000292052308 552688691 /nfs/dbraw/zinc/68/86/91/552688691.db2.gz NSIAGKOOMJIKHR-HNNXBMFYSA-N 1 0 373.400 2.293 20 30 FEEDRO O=C(NCC[NH2+][C@H](C[C@H]1CCOC1)c1ccc(F)cc1)C1N=CC=CC1=O ZINC000292224020 552706296 /nfs/dbraw/zinc/70/62/96/552706296.db2.gz QRYUZXXWRLNSTP-UCPXIFCCSA-N 1 0 373.428 2.409 20 30 FEEDRO C[C@H](C(=O)NC1(C#N)CCCCC1)N1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292292431 552712906 /nfs/dbraw/zinc/71/29/06/552712906.db2.gz UHCOBFNNVRPKTQ-WBVHZDCISA-N 1 0 367.453 2.138 20 30 FEEDRO CC(C)[N@H+](CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2)CC(N)=O ZINC000292717221 552752218 /nfs/dbraw/zinc/75/22/18/552752218.db2.gz RUMOWFKZYZWKCQ-GFCCVEGCSA-N 1 0 362.499 2.269 20 30 FEEDRO N#Cc1ccc(O[C@H]2CCN(Cc3cnnn3Cc3ccccc3)C2)nc1 ZINC000292817454 552761238 /nfs/dbraw/zinc/76/12/38/552761238.db2.gz PLVZRKSNWQWVCQ-IBGZPJMESA-N 1 0 360.421 2.246 20 30 FEEDRO CC(=O)Nc1ccc(OC[C@@H](O)C[N@@H+](CCOCCC#N)C(C)C)cc1 ZINC000293155746 552794155 /nfs/dbraw/zinc/79/41/55/552794155.db2.gz RDTIADJRCQDBDR-SFHVURJKSA-N 1 0 363.458 2.025 20 30 FEEDRO C[N@H+](C[C@H](O)Cc1ccccc1)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000293486249 552828645 /nfs/dbraw/zinc/82/86/45/552828645.db2.gz YMSMJLVVMGWUSU-IAGOWNOFSA-N 1 0 355.463 2.260 20 30 FEEDRO C=CCN(CCc1ccco1)C(=O)C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000501638568 561602592 /nfs/dbraw/zinc/60/25/92/561602592.db2.gz KRGZBVUYPBBLMT-SFHVURJKSA-N 1 0 373.497 2.217 20 30 FEEDRO C#CCCOc1ccc(C(=O)N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)cc1 ZINC000294720897 552929276 /nfs/dbraw/zinc/92/92/76/552929276.db2.gz VCYFJSMLAHKGTR-HXUWFJFHSA-N 1 0 369.509 2.331 20 30 FEEDRO CN(C)C(=O)O[C@H]1CC[N@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000295103255 552958953 /nfs/dbraw/zinc/95/89/53/552958953.db2.gz KRBPVSBYPFOZFT-KRWDZBQOSA-N 1 0 368.441 2.131 20 30 FEEDRO C[N@H+](Cc1cn(CCC#N)nc1-c1ccccc1)[C@H]1CCN2CCO[C@H]1C2 ZINC000295121669 552961200 /nfs/dbraw/zinc/96/12/00/552961200.db2.gz NHRPYDBTFFNUGQ-PMACEKPBSA-N 1 0 365.481 2.369 20 30 FEEDRO CS[C@@H]1CN(C(=O)c2ccc(Br)cc2C#N)C[C@H]1[NH+](C)C ZINC000295131615 552961922 /nfs/dbraw/zinc/96/19/22/552961922.db2.gz YDRZEVYVKISUQP-ZIAGYGMSSA-N 1 0 368.300 2.438 20 30 FEEDRO CC1(C)OCC[C@H]1[NH2+]CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000295133676 552961996 /nfs/dbraw/zinc/96/19/96/552961996.db2.gz BEFCLOLHIAYVTK-OAHLLOKOSA-N 1 0 354.372 2.330 20 30 FEEDRO CCO[C@H]1C[C@H]([NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)C12CCCC2 ZINC000295158801 552964701 /nfs/dbraw/zinc/96/47/01/552964701.db2.gz GJGUQQNRVNXESX-HOTGVXAUSA-N 1 0 363.483 2.054 20 30 FEEDRO COc1cc(C#N)ccc1OCC[N@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000295546027 553024166 /nfs/dbraw/zinc/02/41/66/553024166.db2.gz JYRFLLOJHFRYDF-DLBZAZTESA-N 1 0 365.433 2.227 20 30 FEEDRO Cn1ccnc1[C@@H]1N(C(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)CC1(C)C ZINC000296101670 553104965 /nfs/dbraw/zinc/10/49/65/553104965.db2.gz LJNWGKZEWXPJLL-AWEZNQCLSA-N 1 0 371.828 2.493 20 30 FEEDRO C[NH+]1CCN(Cc2ccc(CNc3ncc(C#N)cc3[N+](=O)[O-])cc2)CC1 ZINC000296485436 553167663 /nfs/dbraw/zinc/16/76/63/553167663.db2.gz KRHHMHHOMGOMDK-UHFFFAOYSA-N 1 0 366.425 2.221 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)N[C@@H]1c2ccccc2CC12CCOCC2 ZINC000297256310 553269840 /nfs/dbraw/zinc/26/98/40/553269840.db2.gz YRSGDVIHBWCLBQ-LJQANCHMSA-N 1 0 355.482 2.335 20 30 FEEDRO Cc1cc(NCC[NH2+]C[C@@H](O)COc2ccccc2C#N)nc(C(C)C)n1 ZINC000600762253 553312557 /nfs/dbraw/zinc/31/25/57/553312557.db2.gz PSRMMZFNCIXXKN-QGZVFWFLSA-N 1 0 369.469 2.222 20 30 FEEDRO C=CCN(Cc1ccccc1)C(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000297684419 553324492 /nfs/dbraw/zinc/32/44/92/553324492.db2.gz BAQDDYBKABNOTF-RTBURBONSA-N 1 0 355.482 2.144 20 30 FEEDRO COc1ccc(C(N)=NOCC(=O)NCCc2ccccc2C)cc1OC ZINC000298126742 553387685 /nfs/dbraw/zinc/38/76/85/553387685.db2.gz FTGOPODQBXQDDI-UHFFFAOYSA-N 1 0 371.437 2.008 20 30 FEEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[NH2+][C@@H]3C(=O)NCC[C@@H]3C)sc2C1 ZINC000298374099 553418136 /nfs/dbraw/zinc/41/81/36/553418136.db2.gz DBFMSWHKILMMAI-PEBVRCNWSA-N 1 0 374.510 2.187 20 30 FEEDRO CC[N@H+](CC(=O)N1CCC(C(=O)OC)CC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000299092845 553514467 /nfs/dbraw/zinc/51/44/67/553514467.db2.gz UHDBBBUHWGWIAI-HNNXBMFYSA-N 1 0 357.454 2.353 20 30 FEEDRO C[NH+](C)CCOc1ccccc1CNC(=O)NCC#Cc1ccccc1 ZINC000299336511 553549586 /nfs/dbraw/zinc/54/95/86/553549586.db2.gz SBMSJBXOVBOBTL-UHFFFAOYSA-N 1 0 351.450 2.478 20 30 FEEDRO CN1CCc2ncnc(N3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)c2C1 ZINC000299551083 553579857 /nfs/dbraw/zinc/57/98/57/553579857.db2.gz CCMJYKDSKQGFDL-UHFFFAOYSA-N 1 0 362.481 2.048 20 30 FEEDRO CCC[C@@H]([NH2+]C(C)C)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000504335907 561656565 /nfs/dbraw/zinc/65/65/65/561656565.db2.gz HYANJLHWHCGTSD-MSOLQXFVSA-N 1 0 356.470 2.337 20 30 FEEDRO CN(C)C(=O)c1cccc(CCNC(=[NH2+])N[C@H]2CCOc3ccccc32)c1 ZINC000304776835 553747335 /nfs/dbraw/zinc/74/73/35/553747335.db2.gz DHXCSZFBWKKDHO-SFHVURJKSA-N 1 0 366.465 2.359 20 30 FEEDRO CC(C)(C)OC(=O)N1CCN2C(NCCC[C@@H]3CCCCO3)=[NH+]C[C@H]2C1 ZINC000305842632 553748262 /nfs/dbraw/zinc/74/82/62/553748262.db2.gz ZYKXAJVMJIGBSC-HOTGVXAUSA-N 1 0 366.506 2.216 20 30 FEEDRO CC[NH+]1CCN(CCCNc2cc(C#N)c(Br)cn2)CC1 ZINC000603276985 553751215 /nfs/dbraw/zinc/75/12/15/553751215.db2.gz UVHLLMSACWCDCA-UHFFFAOYSA-N 1 0 352.280 2.155 20 30 FEEDRO N#Cc1cc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)ccc1F ZINC000310445192 553753146 /nfs/dbraw/zinc/75/31/46/553753146.db2.gz MZLZIZZNEOETMA-UHFFFAOYSA-N 1 0 359.426 2.204 20 30 FEEDRO COc1cccc([C@@H]2C[C@@H](O)CN2CC(=O)NC2CC[NH+](C3CC3)CC2)c1 ZINC000328664762 553804139 /nfs/dbraw/zinc/80/41/39/553804139.db2.gz YUIPNNZKEHDPHM-QUCCMNQESA-N 1 0 373.497 2.386 20 30 FEEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)NCc2nnc3n2CCCC3)C1 ZINC000328711190 553810774 /nfs/dbraw/zinc/81/07/74/553810774.db2.gz BBPZIBMAORSBLL-NVXWUHKLSA-N 1 0 368.485 2.454 20 30 FEEDRO C[C@H]1CN(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)CC(=O)N1C ZINC000328730633 553813632 /nfs/dbraw/zinc/81/36/32/553813632.db2.gz WQQCKVQDYZWDAE-INIZCTEOSA-N 1 0 358.486 2.249 20 30 FEEDRO Cc1csc([C@@H]2CN(C(=O)N[C@@H]3C[N@H+](C4CC4)C[C@H]3C)CCO2)n1 ZINC000328743702 553815567 /nfs/dbraw/zinc/81/55/67/553815567.db2.gz OMOCIRBJXWMHKY-DFBGVHRSSA-N 1 0 350.488 2.222 20 30 FEEDRO C[C@H](NC(=O)C1CCCC1)C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000328777370 553820931 /nfs/dbraw/zinc/82/09/31/553820931.db2.gz IIHLUSBOFJXBHY-FUHWJXTLSA-N 1 0 364.534 2.150 20 30 FEEDRO C[N@@H+]1CC[C@H](NC(=O)N2CCn3c(nnc3C3CC3)C2)[C@@H]1c1ccccc1 ZINC000328818801 553827449 /nfs/dbraw/zinc/82/74/49/553827449.db2.gz HVWIHKTXPKWVTO-WMZOPIPTSA-N 1 0 366.469 2.331 20 30 FEEDRO C=CCCc1ccccc1NC(=O)C(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000505823186 561682016 /nfs/dbraw/zinc/68/20/16/561682016.db2.gz GIPMNJMAOSSJLO-IRXDYDNUSA-N 1 0 373.497 2.359 20 30 FEEDRO Cc1nc([C@@H]2CCCOC2)sc1C(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000328828195 553828882 /nfs/dbraw/zinc/82/88/82/553828882.db2.gz SXSNJECGRKXYHO-UKRRQHHQSA-N 1 0 366.531 2.286 20 30 FEEDRO CC[N@@H+]1CCC[C@H](NC(=O)NCC(=O)N[C@@H]2CCOc3ccccc32)C1 ZINC000328838200 553830773 /nfs/dbraw/zinc/83/07/73/553830773.db2.gz TZCOVKJJSDDSLX-GOEBONIOSA-N 1 0 360.458 2.455 20 30 FEEDRO COc1cc(NC(=O)C2CC2)ccc1S(=O)(=O)NC1CC[NH+](C)CC1 ZINC000328901342 553841384 /nfs/dbraw/zinc/84/13/84/553841384.db2.gz YYUVAAMPWFLKNU-UHFFFAOYSA-N 1 0 367.471 2.066 20 30 FEEDRO CN1CC[N@H+](C)C[C@H]1CNC(=O)NCc1ccc(OC2CCCC2)cc1 ZINC000328901833 553842098 /nfs/dbraw/zinc/84/20/98/553842098.db2.gz ZOUGBHOJMVQWQX-QGZVFWFLSA-N 1 0 360.502 2.257 20 30 FEEDRO O=C(NCC1([NH+]2CCSCC2)CCCC1)c1ccc2n[nH]c(=O)n2c1 ZINC000328905810 553842694 /nfs/dbraw/zinc/84/26/94/553842694.db2.gz BCJQEPHVLRWTJJ-UHFFFAOYSA-N 1 0 361.471 2.101 20 30 FEEDRO O=C(CSc1nnnn1C1CCCC1)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000328915568 553844190 /nfs/dbraw/zinc/84/41/90/553844190.db2.gz JUWBTUSSCVXSHU-KGLIPLIRSA-N 1 0 350.492 2.464 20 30 FEEDRO O=C(CN1CCOC[C@@H]1[C@@H]1CCC[C@@H]1O)N[C@@H]1CCOc2ccccc21 ZINC000328953665 553852165 /nfs/dbraw/zinc/85/21/65/553852165.db2.gz IGRLLBRSSUSVGY-MLHJIOFPSA-N 1 0 360.454 2.329 20 30 FEEDRO C[C@H](NC(=O)CC1CCCCC1)C(=O)N1CCO[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000328961693 553853722 /nfs/dbraw/zinc/85/37/22/553853722.db2.gz KVIMLZPDVJKLOE-BHYGNILZSA-N 1 0 351.491 2.233 20 30 FEEDRO CC[N@@H+]1C[C@H](C)N(C(=O)NCC(=O)N2CCCc3ccccc32)C[C@@H]1C ZINC000328975854 553856898 /nfs/dbraw/zinc/85/68/98/553856898.db2.gz PYZUBWYVSMTDDT-HOTGVXAUSA-N 1 0 358.486 2.294 20 30 FEEDRO CC1(CNC(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CCOCC1 ZINC000329014255 553864483 /nfs/dbraw/zinc/86/44/83/553864483.db2.gz FRXJFTCCWSDRKX-IAGOWNOFSA-N 1 0 353.507 2.075 20 30 FEEDRO C[N@@H+]1CC[C@@H]2OCCN(CC(=O)NCc3ccc(OC(F)F)cc3)[C@H]2C1 ZINC000329024141 553866310 /nfs/dbraw/zinc/86/63/10/553866310.db2.gz NDTBZJQPKRDLLE-HOTGVXAUSA-N 1 0 369.412 2.149 20 30 FEEDRO C[C@H]1CCCC[N@@H+]1CCC(=O)N[C@@H]1CCC(=O)N(C)[C@H]1c1ccnn1C ZINC000329026193 553866892 /nfs/dbraw/zinc/86/68/92/553866892.db2.gz VNPLNZPBGDTDJR-QMTMVMCOSA-N 1 0 361.490 2.303 20 30 FEEDRO CC(=O)N1CCN(C(=O)NC2CC[NH+](CC3CCCC3)CC2)[C@H](C)C1 ZINC000329024699 553866924 /nfs/dbraw/zinc/86/69/24/553866924.db2.gz NLCFBBKVDMQLFD-OAHLLOKOSA-N 1 0 350.507 2.108 20 30 FEEDRO Cc1ccc(N2CCC[C@H](NC(=O)N3CCCC34CC[NH+](C)CC4)C2)nn1 ZINC000329078050 553875916 /nfs/dbraw/zinc/87/59/16/553875916.db2.gz QKIDVHTVOBWACE-KRWDZBQOSA-N 1 0 372.517 2.228 20 30 FEEDRO CN(C(=O)CNC(=O)N1CCCC12CC[NH+](C)CC2)C1CCCCC1 ZINC000329081037 553877178 /nfs/dbraw/zinc/87/71/78/553877178.db2.gz RPLBIDGCGQXOLU-UHFFFAOYSA-N 1 0 350.507 2.252 20 30 FEEDRO CN1CCO[C@@H]2CN(C(=O)Nc3ccc4[nH]c(C(F)F)nc4c3)C[C@H]21 ZINC000329106957 553881311 /nfs/dbraw/zinc/88/13/11/553881311.db2.gz 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Cn1nccc1[C@H]1[C@H](CNC(=O)N[C@H]2CSC2(C)C)CCC[N@@H+]1C ZINC000329211804 553903030 /nfs/dbraw/zinc/90/30/30/553903030.db2.gz ZLACVVQOHUNYAA-AEGPPILISA-N 1 0 351.520 2.201 20 30 FEEDRO Cc1ccc(S(=O)(=O)N(C)CC(=O)NCC2=CC[N@H+](C)CC2)cc1C ZINC000329216045 553904421 /nfs/dbraw/zinc/90/44/21/553904421.db2.gz NUIQXQHFTPFFPO-UHFFFAOYSA-N 1 0 365.499 2.142 20 30 FEEDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(C)cc1 ZINC000329219047 553904810 /nfs/dbraw/zinc/90/48/10/553904810.db2.gz AORSXIJVIYBXCH-JKSUJKDBSA-N 1 0 367.515 2.493 20 30 FEEDRO CCn1c2ccc(C(=O)NC[C@H]3CCCC[N@@H+]3CC)cc2[nH]c(=O)c1=O ZINC000329244887 553909773 /nfs/dbraw/zinc/90/97/73/553909773.db2.gz UWVGXIGVTARABL-CQSZACIVSA-N 1 0 358.442 2.301 20 30 FEEDRO CC(C)[C@H]1CN(CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)CCO1 ZINC000329255930 553912265 /nfs/dbraw/zinc/91/22/65/553912265.db2.gz XIZAMYHELQWDGK-GOSISDBHSA-N 1 0 367.534 2.335 20 30 FEEDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)N[C@H](c1nccn1C)C1CCOCC1 ZINC000329259301 553912772 /nfs/dbraw/zinc/91/27/72/553912772.db2.gz AFFQPYPZMJLUTN-PVAVHDDUSA-N 1 0 363.506 2.074 20 30 FEEDRO C[C@H](NC(=O)N1CCO[C@H](C(N)=O)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000329271778 553915024 /nfs/dbraw/zinc/91/50/24/553915024.db2.gz IFVURCNVKLXFSY-UAGQMJEPSA-N 1 0 360.458 2.047 20 30 FEEDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NCC(=O)N1CCCc2ccccc21 ZINC000329296526 553919896 /nfs/dbraw/zinc/91/98/96/553919896.db2.gz SVSQDVGTBJHVBU-AEFFLSMTSA-N 1 0 370.497 2.438 20 30 FEEDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCN(C(=O)NC4CCCC4)C3)[C@@H]2C1 ZINC000329417028 553942279 /nfs/dbraw/zinc/94/22/79/553942279.db2.gz FXVTYRFKVKLNFK-JFIYKMOQSA-N 1 0 362.518 2.108 20 30 FEEDRO C[C@H](NC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)C(=O)N1CCCC1 ZINC000329472285 553953196 /nfs/dbraw/zinc/95/31/96/553953196.db2.gz BENFIBQYBRQBBZ-HRCADAONSA-N 1 0 350.507 2.154 20 30 FEEDRO CC(C)c1nc([C@@H]2COCCN2C(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)no1 ZINC000329527649 553962235 /nfs/dbraw/zinc/96/22/35/553962235.db2.gz 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CC(C)n1nnnc1-c1ccccc1NC(=O)N1CC[N@H+](C)[C@@H](C)[C@@H]1C ZINC000329728544 553996458 /nfs/dbraw/zinc/99/64/58/553996458.db2.gz CRBBDJIZNPFVIW-KBPBESRZSA-N 1 0 357.462 2.491 20 30 FEEDRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CNC(=O)NCc1ccc(C)cc1 ZINC000329771756 554002704 /nfs/dbraw/zinc/00/27/04/554002704.db2.gz KBWBTQNHMXBHIU-QZTJIDSGSA-N 1 0 358.486 2.084 20 30 FEEDRO Cc1ccc(N2CCC[C@H](NC(=O)N(C)[C@@H]3CC[N@H+](C)[C@H](C)C3)C2)nn1 ZINC000329779588 554003925 /nfs/dbraw/zinc/00/39/25/554003925.db2.gz RCPRWYHGJRJDOU-IXDOHACOSA-N 1 0 360.506 2.082 20 30 FEEDRO CC(C)N1C[C@H](NC(=O)N[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CC1=O ZINC000329809561 554009881 /nfs/dbraw/zinc/00/98/81/554009881.db2.gz QCJQVTDDSXYVRU-BPQIPLTHSA-N 1 0 358.486 2.162 20 30 FEEDRO Cn1cc2c(n1)CCC[C@@H]2C(=O)NC[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000329821102 554011998 /nfs/dbraw/zinc/01/19/98/554011998.db2.gz GRAOPPDYFPCVSA-ROUUACIJSA-N 1 0 368.481 2.216 20 30 FEEDRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)Nc1cnn(CC(=O)NC2CCCC2)c1 ZINC000329844005 554017864 /nfs/dbraw/zinc/01/78/64/554017864.db2.gz OHNGRLRHBODXPX-ZIAGYGMSSA-N 1 0 362.478 2.352 20 30 FEEDRO Cc1c([C@@H]2[C@@H](C(=O)NC3C[C@H]4CCC[C@@H](C3)[N@H+]4C)CC(=O)N2C)cnn1C ZINC000329900313 554027742 /nfs/dbraw/zinc/02/77/42/554027742.db2.gz NPPBJFUCCDUDFS-KQLVOXIKSA-N 1 0 373.501 2.220 20 30 FEEDRO CO[C@H]1C[C@H](C(=O)NC2CC[NH+](CC3CCCC3)CC2)N(C(C)=O)C1 ZINC000329900374 554027764 /nfs/dbraw/zinc/02/77/64/554027764.db2.gz NSRSXBLUGBOYNJ-ZWKOTPCHSA-N 1 0 351.491 2.233 20 30 FEEDRO CC(=O)N1CC[C@H](NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000329933668 554034866 /nfs/dbraw/zinc/03/48/66/554034866.db2.gz QEPRUYFIDVPNIQ-LZQZEXGQSA-N 1 0 358.486 2.164 20 30 FEEDRO CC1(C)CCC[N@H+](CCNC(=O)CN2C(=O)NC3(CCCC3)C2=O)C1 ZINC000329947473 554036873 /nfs/dbraw/zinc/03/68/73/554036873.db2.gz KBRUIAJHPTTYKQ-UHFFFAOYSA-N 1 0 350.463 2.134 20 30 FEEDRO CC1CC[NH+](CC(=O)NC[C@@H]2C[C@H](F)CN2Cc2cnn(C)c2)CC1 ZINC000329951640 554037998 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2.191 20 30 FEEDRO CCn1cc([C@@H]2NC(=O)CC[C@H]2NC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)cn1 ZINC000330179028 554079350 /nfs/dbraw/zinc/07/93/50/554079350.db2.gz MCTIWMWMEOHURC-VUNQQRPYSA-N 1 0 374.489 2.146 20 30 FEEDRO O=C(NC1CCCCC1)NC1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CC2)CC1 ZINC000330203550 554084463 /nfs/dbraw/zinc/08/44/63/554084463.db2.gz AWDRHXKDBZPPEJ-SFHVURJKSA-N 1 0 362.518 2.441 20 30 FEEDRO O=C(N[C@@H]1CCOC2(CCC2)C1)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000330207114 554085664 /nfs/dbraw/zinc/08/56/64/554085664.db2.gz ADBJZFVEMRYUHW-GOSISDBHSA-N 1 0 365.518 2.436 20 30 FEEDRO CC[NH+]1CCC(NC(=O)N2CCC(OC[C@@H]3CCCCO3)CC2)CC1 ZINC000330223532 554088058 /nfs/dbraw/zinc/08/80/58/554088058.db2.gz AGULEHDSRRPKFQ-SFHVURJKSA-N 1 0 353.507 2.435 20 30 FEEDRO Cc1noc(C)c1[C@H](C)CNC(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC000330254071 554093619 /nfs/dbraw/zinc/09/36/19/554093619.db2.gz JHAFHYLTWIQENV-KGLIPLIRSA-N 1 0 364.490 2.494 20 30 FEEDRO C[NH+]1CCC2(CC1)C[C@H](NC(=O)Cn1cnc(C#N)n1)c1ccccc1O2 ZINC000330260056 554094625 /nfs/dbraw/zinc/09/46/25/554094625.db2.gz NXFRINHQCCYGBV-HNNXBMFYSA-N 1 0 366.425 2.094 20 30 FEEDRO CC(C)[C@H]1OCC[C@@H]1CNC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000330321690 554105127 /nfs/dbraw/zinc/10/51/27/554105127.db2.gz GDPSUWMIXLHIRX-LZLYRXPVSA-N 1 0 353.507 2.052 20 30 FEEDRO CCN(C[C@@H](C)C#N)S(=O)(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000330382923 554113976 /nfs/dbraw/zinc/11/39/76/554113976.db2.gz JHCPPJYNCBEMDZ-DOTOQJQBSA-N 1 0 356.536 2.099 20 30 FEEDRO CC(C)CNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1[C@@H]1C[C@H](C)CC[C@@H]1O ZINC000330402358 554116736 /nfs/dbraw/zinc/11/67/36/554116736.db2.gz LASBZYBACNBYGW-HMDCTGQHSA-N 1 0 353.507 2.323 20 30 FEEDRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000330552855 554137275 /nfs/dbraw/zinc/13/72/75/554137275.db2.gz CLBHNGXMHNVBNW-AWEZNQCLSA-N 1 0 363.462 2.464 20 30 FEEDRO C[C@@H]1CN(C(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])[C@@H](C)C[N@@H+]1C ZINC000330577764 554140605 /nfs/dbraw/zinc/14/06/05/554140605.db2.gz HDECMCXPUNLYOE-MNOVXSKESA-N 1 0 368.821 2.104 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@H]2CSCN2C(=O)C(C)(C)C)CC1 ZINC000330663194 554153298 /nfs/dbraw/zinc/15/32/98/554153298.db2.gz VDKAULOLQYGKJV-OAHLLOKOSA-N 1 0 353.532 2.091 20 30 FEEDRO C[NH+](C)[C@H]1CCN(C(=O)Nc2ccc(S(C)(=O)=O)c(C(F)F)c2)C1 ZINC000330683480 554156955 /nfs/dbraw/zinc/15/69/55/554156955.db2.gz ITLDOYFISHIFCM-NSHDSACASA-N 1 0 361.414 2.209 20 30 FEEDRO COc1cc(NC(=O)NC[C@H]2C[N@H+](C)CCN2C)cc(OC)c1C(C)C ZINC000330724243 554163113 /nfs/dbraw/zinc/16/31/13/554163113.db2.gz YVAJIFIYBBCAEB-HNNXBMFYSA-N 1 0 364.490 2.399 20 30 FEEDRO COC(=O)CCc1csc(NC(=O)N2CC[N@H+](C)C[C@H]2C(C)C)n1 ZINC000330746075 554166192 /nfs/dbraw/zinc/16/61/92/554166192.db2.gz FOWAKKGBNWDDEZ-ZDUSSCGKSA-N 1 0 354.476 2.066 20 30 FEEDRO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000508319837 561758793 /nfs/dbraw/zinc/75/87/93/561758793.db2.gz QYDSOHANXFHYHL-LJQANCHMSA-N 1 0 372.513 2.104 20 30 FEEDRO Cc1c(CS(C)(=O)=O)cccc1NC(=O)N1CC[N@@H+](C)[C@@H](C)[C@@H]1C ZINC000330897402 554184605 /nfs/dbraw/zinc/18/46/05/554184605.db2.gz UEUHHXSNRLWUID-KBPBESRZSA-N 1 0 353.488 2.110 20 30 FEEDRO COc1cccc(C[C@H](C)NC(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)c1 ZINC000331216493 554232388 /nfs/dbraw/zinc/23/23/88/554232388.db2.gz DTCKWYIMAKDMBV-JKSUJKDBSA-N 1 0 363.502 2.317 20 30 FEEDRO CC(=O)NC[C@@H]1CCCN(C(=O)NC[C@H]2CCCC[N@H+]2CC(C)C)C1 ZINC000331272740 554239481 /nfs/dbraw/zinc/23/94/81/554239481.db2.gz AOJMNPDKDOVINF-ZWKOTPCHSA-N 1 0 352.523 2.259 20 30 FEEDRO CC(=O)Nc1cccc(NC(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)c1C ZINC000331285009 554241061 /nfs/dbraw/zinc/24/10/61/554241061.db2.gz XLTUTPFBYKVMLU-UHFFFAOYSA-N 1 0 361.490 2.305 20 30 FEEDRO COc1cc(OC)c(NC(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)cc1F ZINC000331287338 554241878 /nfs/dbraw/zinc/24/18/78/554241878.db2.gz HVEUYIRGXVBBGS-LBPRGKRZSA-N 1 0 369.437 2.165 20 30 FEEDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000331480085 554271575 /nfs/dbraw/zinc/27/15/75/554271575.db2.gz JKTCDFSOASWRFK-QMTHXVAHSA-N 1 0 373.400 2.338 20 30 FEEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+]2C[C@@H](C)[C@H](O)C2)c1C#N ZINC000509129182 561785953 /nfs/dbraw/zinc/78/59/53/561785953.db2.gz UWWOLHUZLBPDFK-FZKQIMNGSA-N 1 0 370.453 2.259 20 30 FEEDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCCN(c3nc(C)ccc3C#N)C2)C1 ZINC000331627987 554298261 /nfs/dbraw/zinc/29/82/61/554298261.db2.gz RJVXJDBQPZYEIO-HKUYNNGSSA-N 1 0 369.513 2.278 20 30 FEEDRO C=CCSCCNC(=O)N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000509172043 561788179 /nfs/dbraw/zinc/78/81/79/561788179.db2.gz NOTOMYPDLVSCCT-UHFFFAOYSA-N 1 0 354.564 2.106 20 30 FEEDRO CC[NH+](CC)CCCC1CCN(S(=O)(=O)N(C)[C@H](C)CC#N)CC1 ZINC000509220435 561790791 /nfs/dbraw/zinc/79/07/91/561790791.db2.gz QICDCHPBMRHXCV-MRXNPFEDSA-N 1 0 358.552 2.299 20 30 FEEDRO C[C@@H](CC#N)N(C)S(=O)(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000509453478 561800463 /nfs/dbraw/zinc/80/04/63/561800463.db2.gz YMWQOMXYAUQJHZ-INIZCTEOSA-N 1 0 356.536 2.244 20 30 FEEDRO CCOc1ccc(N(CCC#N)C(=O)CN2C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000509504256 561802720 /nfs/dbraw/zinc/80/27/20/561802720.db2.gz RLOYZOPDUYCZIF-SJORKVTESA-N 1 0 358.486 2.356 20 30 FEEDRO C=CC[C@@H]1N(C(=O)C(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)CCCC1(C)C ZINC000332318363 554423927 /nfs/dbraw/zinc/42/39/27/554423927.db2.gz PWEFQKFYFXGGPP-MSOLQXFVSA-N 1 0 361.530 2.428 20 30 FEEDRO CN(C)C(=O)CC[NH+]1CCC(Nc2cc(C#N)c3ccccc3n2)CC1 ZINC000609893334 554435115 /nfs/dbraw/zinc/43/51/15/554435115.db2.gz DZVGCHPBGXFWCO-UHFFFAOYSA-N 1 0 351.454 2.461 20 30 FEEDRO C[C@H]1CN([C@@H](C(N)=O)c2ccc(C#N)cc2)CCN1C1CC[NH+](C)CC1 ZINC000332402308 554439847 /nfs/dbraw/zinc/43/98/47/554439847.db2.gz WBLQSKJPHKCEPK-HNAYVOBHSA-N 1 0 355.486 2.235 20 30 FEEDRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000332537407 554466172 /nfs/dbraw/zinc/46/61/72/554466172.db2.gz JMTSCKJMQDYKKT-BBRMVZONSA-N 1 0 361.877 2.184 20 30 FEEDRO N#Cc1ccc(N2CC[C@H]([N@@H+]3CCC[C@H](N4CCCC4=O)CC3)C2=O)cc1 ZINC000333684434 554632997 /nfs/dbraw/zinc/63/29/97/554632997.db2.gz AFOIEYGELUDCQG-HKUYNNGSSA-N 1 0 366.465 2.140 20 30 FEEDRO N#Cc1ccc(OC2CCN(C(=O)N[C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)CC2)cc1 ZINC000333868586 554650677 /nfs/dbraw/zinc/65/06/77/554650677.db2.gz BGOHURVVEGJIJP-OKZBNKHCSA-N 1 0 368.481 2.499 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@@H](N3CCCC3=O)CC2)CC1 ZINC000334017425 554668549 /nfs/dbraw/zinc/66/85/49/554668549.db2.gz BSUWUTPCEBHVAF-GOSISDBHSA-N 1 0 362.518 2.213 20 30 FEEDRO C[NH+]1CCC(CNc2nc3c(cc2C#N)CCCC3)(N2CCOCC2)CC1 ZINC000334136582 554682314 /nfs/dbraw/zinc/68/23/14/554682314.db2.gz YWKPQHDEYQGGMV-UHFFFAOYSA-N 1 0 369.513 2.041 20 30 FEEDRO C=CCOC[C@H]1NC(=O)N(C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)C1=O ZINC000348979456 554707157 /nfs/dbraw/zinc/70/71/57/554707157.db2.gz WVCLFNZZSGOPRK-RBUKOAKNSA-N 1 0 371.481 2.412 20 30 FEEDRO Cc1cc(C#N)ccc1-c1nc(CC(=O)N2CCC([NH+](C)C)CC2)no1 ZINC000350925065 554822800 /nfs/dbraw/zinc/82/28/00/554822800.db2.gz MWRZIOFLNSUISH-UHFFFAOYSA-N 1 0 353.426 2.012 20 30 FEEDRO CC(C)(C)n1cc(C#N)cc1NC(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000360280135 554869859 /nfs/dbraw/zinc/86/98/59/554869859.db2.gz QKBAMUGZMRZYDI-JKSUJKDBSA-N 1 0 359.474 2.178 20 30 FEEDRO Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000613157137 554893960 /nfs/dbraw/zinc/89/39/60/554893960.db2.gz NSQVLCZNIFXZGY-INIZCTEOSA-N 1 0 365.441 2.053 20 30 FEEDRO C[C@@H]1C[N@@H+](CCCNC(=O)[C@@]2(C#N)CCc3ccccc3C2)C[C@H](C)O1 ZINC000362020217 554944821 /nfs/dbraw/zinc/94/48/21/554944821.db2.gz GVRHLDADCLXSKD-FVJLSDCUSA-N 1 0 355.482 2.301 20 30 FEEDRO N#CCC[C@H](NC(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1ccccc1 ZINC000362788263 554988614 /nfs/dbraw/zinc/98/86/14/554988614.db2.gz OQRGDWIDNFTIFC-FHWLQOOXSA-N 1 0 356.470 2.272 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N2CCC([C@H]3C(=O)Nc4ccccc43)CC2)CC1 ZINC000363120183 555034653 /nfs/dbraw/zinc/03/46/53/555034653.db2.gz OREHNMRUFZHDBD-HXUWFJFHSA-N 1 0 365.477 2.306 20 30 FEEDRO CC(C)(C)C(=O)N1CCCN([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000363230249 555059116 /nfs/dbraw/zinc/05/91/16/555059116.db2.gz FSJDYTOGUNFUNI-SFHVURJKSA-N 1 0 368.481 2.244 20 30 FEEDRO C[C@@H]1CN(C(=O)C2CC[NH+](CCOc3ccccc3C#N)CC2)C[C@H](C)O1 ZINC000363291318 555072041 /nfs/dbraw/zinc/07/20/41/555072041.db2.gz AYGLHFFVCFFJJS-CALCHBBNSA-N 1 0 371.481 2.285 20 30 FEEDRO C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1NC(=O)CCc1ccc(C#N)cc1 ZINC000363424118 555101979 /nfs/dbraw/zinc/10/19/79/555101979.db2.gz OSVXWEXWXJLWKZ-NSISKUIASA-N 1 0 355.482 2.496 20 30 FEEDRO N#Cc1ccccc1NC(=O)CC[NH+]1CCC(NC(=O)C2CCC2)CC1 ZINC000363472477 555113930 /nfs/dbraw/zinc/11/39/30/555113930.db2.gz QOGJZWNJWMKCPP-UHFFFAOYSA-N 1 0 354.454 2.268 20 30 FEEDRO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@@H](C(=O)N2CCCCCC2)C1 ZINC000363481379 555116251 /nfs/dbraw/zinc/11/62/51/555116251.db2.gz IWPXWNBCNMUBOL-XLIONFOSSA-N 1 0 362.518 2.155 20 30 FEEDRO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000363709070 555168542 /nfs/dbraw/zinc/16/85/42/555168542.db2.gz LBLXYZHMPIKOBR-AZUAARDMSA-N 1 0 371.481 2.331 20 30 FEEDRO CC(C)(Oc1ccc(C#N)cc1)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000363738637 555175535 /nfs/dbraw/zinc/17/55/35/555175535.db2.gz ZMDNKDXSOPHBGF-KRWDZBQOSA-N 1 0 357.454 2.085 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1cn(C)nc1-c1cnn(C)c1)C(C)C ZINC000363739144 555176062 /nfs/dbraw/zinc/17/60/62/555176062.db2.gz ODKJYEVYWXMNMZ-GOSISDBHSA-N 1 0 370.501 2.249 20 30 FEEDRO N#Cc1ccc([C@H](O)C[N@@H+]2CCC[C@@H](C(=O)Nc3ccccn3)C2)cc1 ZINC000363858150 555200776 /nfs/dbraw/zinc/20/07/76/555200776.db2.gz QYXFNFOIUSSFJY-QZTJIDSGSA-N 1 0 350.422 2.337 20 30 FEEDRO Cc1cc(C(=O)NC2CC[NH+](CCOc3ccccc3C#N)CC2)no1 ZINC000364011312 555233055 /nfs/dbraw/zinc/23/30/55/555233055.db2.gz IOXASMCZDILBHF-UHFFFAOYSA-N 1 0 354.410 2.128 20 30 FEEDRO N#CCCCOc1cccc(CN2CCC[C@@H]2c2nc(C(N)=O)no2)c1 ZINC000364232752 555275432 /nfs/dbraw/zinc/27/54/32/555275432.db2.gz AARXUAKIONBUII-OAHLLOKOSA-N 1 0 355.398 2.188 20 30 FEEDRO C=CCN(C(=O)N[C@@H]1CCC(=O)N(C)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000364277348 555283014 /nfs/dbraw/zinc/28/30/14/555283014.db2.gz AQXPTIYVBGYRPH-MOPGFXCFSA-N 1 0 370.497 2.079 20 30 FEEDRO CC(=O)N1CCC[C@H]1[C@H]1CCCN1CC(=O)Nc1oc(C)c(C)c1C#N ZINC000364377648 555302081 /nfs/dbraw/zinc/30/20/81/555302081.db2.gz OTGKFCAPBILBFE-SJORKVTESA-N 1 0 358.442 2.182 20 30 FEEDRO C[C@H](NC(=O)N1CCN(C2CC2)[C@@H](C#N)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000364681499 555373188 /nfs/dbraw/zinc/37/31/88/555373188.db2.gz IKBGSYRLHVFWIB-BXWFABGCSA-N 1 0 359.518 2.021 20 30 FEEDRO COc1cc(C[NH2+][C@H](C)c2ccc(C#N)cc2F)ccc1OCC(N)=O ZINC000512642926 561910919 /nfs/dbraw/zinc/91/09/19/561910919.db2.gz UGVACTHVCLQSBM-GFCCVEGCSA-N 1 0 357.385 2.421 20 30 FEEDRO N#CCCn1ccc(=NC(=O)[C@@]23CCC[C@@H]2C[N@H+](Cc2ccccc2)C3)[nH]1 ZINC000364866557 555419339 /nfs/dbraw/zinc/41/93/39/555419339.db2.gz KMJVNBCJGBCBJO-WIYYLYMNSA-N 1 0 363.465 3.038 20 30 FEEDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC(=O)N1Cc1cccc(C#N)c1 ZINC000365030935 555469167 /nfs/dbraw/zinc/46/91/67/555469167.db2.gz ZNMYYWZHWDMPMS-RTBURBONSA-N 1 0 368.481 2.040 20 30 FEEDRO CN1C(=O)C[C@@H]([NH2+]CC(=O)NC2(C#N)CCCCC2)[C@@H]1c1ccc(F)cc1 ZINC000365192125 555506589 /nfs/dbraw/zinc/50/65/89/555506589.db2.gz VHFLVWRJPZAYED-APWZRJJASA-N 1 0 372.444 2.030 20 30 FEEDRO C[C@H](Oc1ccccc1C#N)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC000365357037 555552456 /nfs/dbraw/zinc/55/24/56/555552456.db2.gz KLVXEBKRHTULDK-HOTGVXAUSA-N 1 0 357.454 2.037 20 30 FEEDRO C#CCOc1ccc(C(=O)N[C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@@H]2C)cc1 ZINC000365534195 555601287 /nfs/dbraw/zinc/60/12/87/555601287.db2.gz FKJUILUIZBMJQC-PWIZWCRZSA-N 1 0 356.466 2.318 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000513484449 561940341 /nfs/dbraw/zinc/94/03/41/561940341.db2.gz NRXGDZIAXJTUPS-AWEZNQCLSA-N 1 0 351.516 2.355 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N2CCC(O)(Cc3ccccc3F)CC2)CC1 ZINC000365928359 555703662 /nfs/dbraw/zinc/70/36/62/555703662.db2.gz DBIFRKJCBOQCCK-UHFFFAOYSA-N 1 0 358.457 2.067 20 30 FEEDRO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C(=O)C2(C#N)CCCC2)CC1 ZINC000513627774 561945247 /nfs/dbraw/zinc/94/52/47/561945247.db2.gz YPDBRZRSFLUIOG-UHFFFAOYSA-N 1 0 362.518 2.013 20 30 FEEDRO CCOC(=O)CCCCC[N@@H+]1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000513659955 561946260 /nfs/dbraw/zinc/94/62/60/561946260.db2.gz IKYYROWTLMWCIR-YWZLYKJASA-N 1 0 355.438 2.455 20 30 FEEDRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2C(=O)/C=C/c1ccc(OCC#N)cc1 ZINC000366432136 555841624 /nfs/dbraw/zinc/84/16/24/555841624.db2.gz BCNKVVWPGAAQCI-DHMMONFASA-N 1 0 369.465 2.312 20 30 FEEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3C[C@H]4[C@H](CO)[C@H]4C3)sc2C1 ZINC000366445627 555846278 /nfs/dbraw/zinc/84/62/78/555846278.db2.gz WHVWGMDPXOTUJZ-DANNLKNASA-N 1 0 359.495 2.243 20 30 FEEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3C[C@H]4[C@H](CO)[C@H]4C3)sc2C1 ZINC000366445628 555846453 /nfs/dbraw/zinc/84/64/53/555846453.db2.gz WHVWGMDPXOTUJZ-FWYOQMDTSA-N 1 0 359.495 2.243 20 30 FEEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@H]2C[NH2+]CCC[C@@H]21 ZINC000366448147 555847262 /nfs/dbraw/zinc/84/72/62/555847262.db2.gz MCANZSXMXFYEJL-YJBOKZPZSA-N 1 0 356.470 2.199 20 30 FEEDRO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CC[C@H]2[C@@H](CCN2C(=O)OC(C)(C)C)C1 ZINC000366547372 555873767 /nfs/dbraw/zinc/87/37/67/555873767.db2.gz ZLDONUOLVIJQSL-PMPSAXMXSA-N 1 0 364.490 2.078 20 30 FEEDRO N#Cc1ccc(S(N)(=O)=O)cc1N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000366818168 555942343 /nfs/dbraw/zinc/94/23/43/555942343.db2.gz JUDARKSXZAVEOF-KRWDZBQOSA-N 1 0 370.478 2.282 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N[C@H]2CC(=O)N(C)[C@@H]2c2ccc(F)cc2)CC1 ZINC000366832873 555946448 /nfs/dbraw/zinc/94/64/48/555946448.db2.gz PPJBCDYGZLLHDB-PKOBYXMFSA-N 1 0 374.460 2.047 20 30 FEEDRO CCc1nc(CN2C[C@H]3C[NH+](CCCC4(C#N)CCOCC4)C[C@@H]3C2)no1 ZINC000366897308 555962955 /nfs/dbraw/zinc/96/29/55/555962955.db2.gz QEBBEBXDQATYIH-IAGOWNOFSA-N 1 0 373.501 2.096 20 30 FEEDRO Cc1cc(C#N)nc(N2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)n1 ZINC000367349970 556025039 /nfs/dbraw/zinc/02/50/39/556025039.db2.gz WNYFOZVHHCEZMX-HXUWFJFHSA-N 1 0 362.481 2.053 20 30 FEEDRO Cc1cccc(N(CCC#N)C(=O)C[NH2+][C@@H]2CCC(=O)N[C@H]2C2CC2)c1C ZINC000367460133 556056778 /nfs/dbraw/zinc/05/67/78/556056778.db2.gz YQIUXQVPSWTVLL-UTKZUKDTSA-N 1 0 368.481 2.197 20 30 FEEDRO COc1cccc(CC[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)c1OC ZINC000514741680 561977243 /nfs/dbraw/zinc/97/72/43/561977243.db2.gz SIBJDBNEVFWWPA-UHFFFAOYSA-N 1 0 374.462 2.181 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N2CCC[C@@](CO)(Cc3ccccc3)C2)CC1 ZINC000367746688 556128928 /nfs/dbraw/zinc/12/89/28/556128928.db2.gz OQCMYWDHZXDVPA-JOCHJYFZSA-N 1 0 354.494 2.175 20 30 FEEDRO COC(=O)[C@]12CCC[C@H]1C[N@H+](Cc1nnc(-c3ccc(C#N)cc3)o1)C2 ZINC000367828677 556149117 /nfs/dbraw/zinc/14/91/17/556149117.db2.gz VPUDBJPFHLPZPK-KXBFYZLASA-N 1 0 352.394 2.383 20 30 FEEDRO C#CCN(Cc1ccccc1)C(=O)NC[C@H]1CCC[C@@H]1[NH+]1CCOCC1 ZINC000367884039 556164554 /nfs/dbraw/zinc/16/45/54/556164554.db2.gz FZEJBKNTLRCXNX-UXHICEINSA-N 1 0 355.482 2.332 20 30 FEEDRO Cn1cnc2c1nccc2C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000367994741 556190419 /nfs/dbraw/zinc/19/04/19/556190419.db2.gz UTTUQGIPNXRFEY-UHFFFAOYSA-N 1 0 374.448 2.256 20 30 FEEDRO C[C@H]([NH2+][C@@H]1CCC(=O)N[C@@H]1C1CC1)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000368495803 556326076 /nfs/dbraw/zinc/32/60/76/556326076.db2.gz KTYANWYOUJDBDZ-BOFPYLFWSA-N 1 0 372.444 2.108 20 30 FEEDRO Cc1noc(C)c1CO[C@H]1CC[N@H+](C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000368853074 556430166 /nfs/dbraw/zinc/43/01/66/556430166.db2.gz ICDKJLXGAUAJGA-MJGOQNOKSA-N 1 0 371.437 2.194 20 30 FEEDRO Cn1ccnc1[C@@H]1CCCN(C(=O)NCCOc2ccc(C#N)cc2)C1 ZINC000368916560 556447728 /nfs/dbraw/zinc/44/77/28/556447728.db2.gz ZSDJPHSAJVXEPH-MRXNPFEDSA-N 1 0 353.426 2.260 20 30 FEEDRO C[C@H]([NH2+][C@H]1CCCC[C@H]1N1CCOCC1)C(=O)Nc1cccc(C#N)c1 ZINC000368949975 556456811 /nfs/dbraw/zinc/45/68/11/556456811.db2.gz KVIOUKZVWGQHKL-ZYSHUDEJSA-N 1 0 356.470 2.118 20 30 FEEDRO COc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)cc1OCCCC#N ZINC000368976610 556465660 /nfs/dbraw/zinc/46/56/60/556465660.db2.gz XTCSNDAIHJFERV-TXPKVOOTSA-N 1 0 357.454 2.464 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N(CCOC)[C@@H]2CCCc3cccnc32)CC1 ZINC000369012255 556476001 /nfs/dbraw/zinc/47/60/01/556476001.db2.gz XGVGTPIRHDVUHX-LJQANCHMSA-N 1 0 355.482 2.279 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)[C@@H]2CCN(c3cc(F)cc(F)c3)C2=O)CC1 ZINC000369041313 556485806 /nfs/dbraw/zinc/48/58/06/556485806.db2.gz KKNYBEAFEHKKEC-KRWDZBQOSA-N 1 0 363.408 2.084 20 30 FEEDRO C[NH+]1CCC2(CCCN2C(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)CC1 ZINC000369304346 556569157 /nfs/dbraw/zinc/56/91/57/556569157.db2.gz ATKLYJYXMKHYTP-UHFFFAOYSA-N 1 0 371.485 2.140 20 30 FEEDRO C#CCN(Cc1ccc(F)cc1)C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000369365091 556580946 /nfs/dbraw/zinc/58/09/46/556580946.db2.gz XSZYWAGSTGYLTM-IBGZPJMESA-N 1 0 372.488 2.139 20 30 FEEDRO Cn1cc([C@@H]2[C@@H](CNC(=O)Nc3cccc(C#N)c3)CCC[N@@H+]2C)cn1 ZINC000369425940 556597955 /nfs/dbraw/zinc/59/79/55/556597955.db2.gz YBYOAFAHYGJOQX-QAPCUYQASA-N 1 0 352.442 2.496 20 30 FEEDRO Cn1cc([C@H]2[C@@H](C[NH2+]Cc3cnc4ccc(C#N)cn34)CCCN2C)cn1 ZINC000369479061 556607915 /nfs/dbraw/zinc/60/79/15/556607915.db2.gz RBBLMOLNIMCQIP-OXQOHEQNSA-N 1 0 363.469 2.112 20 30 FEEDRO CC(=O)N1CCCCC[C@H]1C1CC[NH+]([C@H](C)C(=O)N(C)CCC#N)CC1 ZINC000369515076 556616569 /nfs/dbraw/zinc/61/65/69/556616569.db2.gz GWCCTVRYMZUUAU-APWZRJJASA-N 1 0 362.518 2.250 20 30 FEEDRO C#CCSCCNC(=O)N[C@H]1CC[N@@H+](Cc2cnc(C)s2)C[C@@H]1C ZINC000369612239 556648174 /nfs/dbraw/zinc/64/81/74/556648174.db2.gz OFNKVINXWAUIGT-BBRMVZONSA-N 1 0 366.556 2.328 20 30 FEEDRO COc1ccc(C[NH2+]C[C@@H]2CCCN(C)[C@H]2c2cnn(C)c2)cc1C#N ZINC000369671135 556664573 /nfs/dbraw/zinc/66/45/73/556664573.db2.gz DAVYDNASXSTLQE-OXJNMPFZSA-N 1 0 353.470 2.473 20 30 FEEDRO N#Cc1ccccc1NC(=O)CC[NH+]1CCC(CN2CCCC2=O)CC1 ZINC000369809766 556700991 /nfs/dbraw/zinc/70/09/91/556700991.db2.gz FGPOMVGXYSAXOJ-UHFFFAOYSA-N 1 0 354.454 2.221 20 30 FEEDRO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1NC(=O)NCCc1cccc(C#N)c1 ZINC000369873669 556718432 /nfs/dbraw/zinc/71/84/32/556718432.db2.gz MOEGGCXBTQMTDH-LSTHTHJFSA-N 1 0 370.497 2.289 20 30 FEEDRO Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)NC3CC[NH+](C(C)C)CC3)C2)n1 ZINC000369935319 556734840 /nfs/dbraw/zinc/73/48/40/556734840.db2.gz HIAOMVQZJZGKTE-GOSISDBHSA-N 1 0 369.513 2.467 20 30 FEEDRO C[C@H](CNC(=O)N1CCN(c2ccc(C#N)cn2)CC1)[N@@H+]1CCCC[C@H]1C ZINC000516564764 562048499 /nfs/dbraw/zinc/04/84/99/562048499.db2.gz GXZNYTIURGSWGM-IAGOWNOFSA-N 1 0 370.501 2.048 20 30 FEEDRO C[C@H]1C[NH+](CCC2CCN(C(=O)c3ccc(C#N)nc3)CC2)C[C@H](C)O1 ZINC000370207011 556810543 /nfs/dbraw/zinc/81/05/43/556810543.db2.gz GEMLRPPKNCZHPX-HOTGVXAUSA-N 1 0 356.470 2.305 20 30 FEEDRO N#Cc1ccsc1N1CC[C@H](N2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)C1=O ZINC000370236650 556819053 /nfs/dbraw/zinc/81/90/53/556819053.db2.gz SXLOBHNUWGUWMO-YVSFHVDLSA-N 1 0 356.495 2.141 20 30 FEEDRO CC(C)[N@@H+]1CCO[C@H](C(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC000370601174 556918627 /nfs/dbraw/zinc/91/86/27/556918627.db2.gz FULUISCDOLTHDC-INIZCTEOSA-N 1 0 354.372 2.282 20 30 FEEDRO O=C(C[NH2+][C@@H]1CCO[C@H]1C1CC1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000370667437 556935071 /nfs/dbraw/zinc/93/50/71/556935071.db2.gz MKAOYGMBAZCYKG-AEFFLSMTSA-N 1 0 366.383 2.330 20 30 FEEDRO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCC[C@@H](N2CCCCC2=O)C1 ZINC000370896833 557006918 /nfs/dbraw/zinc/00/69/18/557006918.db2.gz CVNPDKDCQMZDID-OAHLLOKOSA-N 1 0 360.483 2.425 20 30 FEEDRO Cn1cc([C@@H]2[C@@H](CNC(=O)c3ccccc3OCC#N)CCC[N@@H+]2C)cn1 ZINC000370914676 557013607 /nfs/dbraw/zinc/01/36/07/557013607.db2.gz YWOMZFWURXFYCY-BEFAXECRSA-N 1 0 367.453 2.135 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N[C@H]2CCN(C(C)=O)c3ccccc32)CC1 ZINC000371088656 557071284 /nfs/dbraw/zinc/07/12/84/557071284.db2.gz QZJHXEBACFNXFD-SFHVURJKSA-N 1 0 356.470 2.434 20 30 FEEDRO C#CC[C@H](NC(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1)c1ccccc1 ZINC000371090854 557071981 /nfs/dbraw/zinc/07/19/81/557071981.db2.gz YRKSTNIIWZLDQM-ICSRJNTNSA-N 1 0 354.498 2.219 20 30 FEEDRO C=CCOCCCC(=O)NCCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000371093138 557072938 /nfs/dbraw/zinc/07/29/38/557072938.db2.gz IXEIIPYJKPIRSF-UHFFFAOYSA-N 1 0 351.535 2.282 20 30 FEEDRO C[C@H]1CC(=O)NCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000371183136 557099932 /nfs/dbraw/zinc/09/99/32/557099932.db2.gz HXWZQXHXGTZDEO-LBPRGKRZSA-N 1 0 360.483 2.038 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N[C@@H](C)Cc2nc(-c3ccccc3)no2)CC1 ZINC000371214411 557109390 /nfs/dbraw/zinc/10/93/90/557109390.db2.gz FDARLRZOBIAKSV-HNNXBMFYSA-N 1 0 352.438 2.129 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)CNC(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000517316224 562085152 /nfs/dbraw/zinc/08/51/52/562085152.db2.gz YVJRBXXVHOJGKT-UHFFFAOYSA-N 1 0 370.280 2.490 20 30 FEEDRO CC1(C)C[C@H]([NH2+]CCNC(=O)C2N=CC=CC2=O)CN1Cc1ccccc1 ZINC000371277240 557128407 /nfs/dbraw/zinc/12/84/07/557128407.db2.gz HKUMZICZXOLNPL-SKQREZPOSA-N 1 0 368.481 2.156 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N[C@@H]2CCCC[C@H]2C[NH3+])cc1Br ZINC000517370396 562087268 /nfs/dbraw/zinc/08/72/68/562087268.db2.gz XQEVWBMDVQQSGE-SMDDNHRTSA-N 1 0 372.288 2.117 20 30 FEEDRO C[C@H]1CN(C(=O)/C=C/c2cccc(C#N)c2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000371353505 557157675 /nfs/dbraw/zinc/15/76/75/557157675.db2.gz IZCDGGGBDVNLFJ-DGKOWBFYSA-N 1 0 352.482 2.056 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2cc3ccccc3n(C)c2=O)CC1 ZINC000517469486 562090875 /nfs/dbraw/zinc/09/08/75/562090875.db2.gz YEQVBWVMZVFYDD-UHFFFAOYSA-N 1 0 368.481 2.378 20 30 FEEDRO N#CC1(NC(=O)c2ccc(C(N)=O)cc2)CC[NH+](Cc2ccccc2)CC1 ZINC000371529415 557210730 /nfs/dbraw/zinc/21/07/30/557210730.db2.gz RZKSHWNJPFNXGO-UHFFFAOYSA-N 1 0 362.433 2.074 20 30 FEEDRO Cc1c(CCC(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)cnn1C ZINC000371542313 557215559 /nfs/dbraw/zinc/21/55/59/557215559.db2.gz JXSQQZOIQABEBP-UHFFFAOYSA-N 1 0 365.481 2.336 20 30 FEEDRO CC[NH+](CC)Cc1cccc(CNC(=O)C(=O)Nc2cccc(C#N)n2)c1 ZINC000517739771 562096908 /nfs/dbraw/zinc/09/69/08/562096908.db2.gz XNALQPTXLZJRCM-UHFFFAOYSA-N 1 0 365.437 2.050 20 30 FEEDRO COCCOc1ccc(C#N)cc1NC(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000371720633 557274179 /nfs/dbraw/zinc/27/41/79/557274179.db2.gz YYQFTJVGBYUENY-INIZCTEOSA-N 1 0 358.442 2.285 20 30 FEEDRO C=C(C)CN(CC)C(=O)C(=O)N1CC[C@H]([N@H+](C)CCc2ccccc2)C1 ZINC000518218335 562106549 /nfs/dbraw/zinc/10/65/49/562106549.db2.gz GZOFOBZQNDSYDB-IBGZPJMESA-N 1 0 357.498 2.186 20 30 FEEDRO CCN1C(=O)N=NC1C1CC[NH+](CCC(=O)Nc2ccccc2C#N)CC1 ZINC000372014485 557356732 /nfs/dbraw/zinc/35/67/32/557356732.db2.gz YWYNPTDROLKGDA-UHFFFAOYSA-N 1 0 368.441 2.083 20 30 FEEDRO C[C@H](O)C[C@@H](C[NH2+]C[C@@H](O)COc1ccc(C#N)cc1)c1ccccc1 ZINC000518964809 562122023 /nfs/dbraw/zinc/12/20/23/562122023.db2.gz DYQACGCOTQQVEB-FFZOFVMBSA-N 1 0 354.450 2.442 20 30 FEEDRO CN1CCC(CNC(=O)Nc2cccc(C#N)n2)([NH+]2CCCCC2)CC1 ZINC000519152143 562125971 /nfs/dbraw/zinc/12/59/71/562125971.db2.gz AVUKPJPJPSJZAA-UHFFFAOYSA-N 1 0 356.474 2.025 20 30 FEEDRO N#Cc1ccccc1Cn1cccc1CN1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000372462706 557477536 /nfs/dbraw/zinc/47/75/36/557477536.db2.gz IRSHHPHPDITEHY-YADHBBJMSA-N 1 0 364.493 2.439 20 30 FEEDRO Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3C[C@@H]4CCCCCC[C@@H]43)CC2)o1 ZINC000372585785 557513377 /nfs/dbraw/zinc/51/33/77/557513377.db2.gz JVGFXTKFGRXRBD-WMZOPIPTSA-N 1 0 371.485 2.158 20 30 FEEDRO C[N@@H+]1CCC[C@H](CNC(=O)C(=O)Nc2sc(C(C)(C)C)cc2C#N)C1 ZINC000519523001 562133283 /nfs/dbraw/zinc/13/32/83/562133283.db2.gz KFHGTMPNAFAGRG-GFCCVEGCSA-N 1 0 362.499 2.314 20 30 FEEDRO Cc1nc(C)n(C[C@H]2CCCN2Cc2nnc(-c3ccc(C#N)cc3)o2)n1 ZINC000372640585 557527461 /nfs/dbraw/zinc/52/74/61/557527461.db2.gz OXVQDTWTZKEEDB-QGZVFWFLSA-N 1 0 363.425 2.481 20 30 FEEDRO CC[C@@H]1CN(Cc2ncc(-c3ccc(C#N)cc3)o2)CC[N@@H+]1C[C@H](C)O ZINC000372648044 557529307 /nfs/dbraw/zinc/52/93/07/557529307.db2.gz GVIWOIJZGJBFHR-MAUKXSAKSA-N 1 0 354.454 2.490 20 30 FEEDRO C=CCCCCCNC(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000519556020 562134796 /nfs/dbraw/zinc/13/47/96/562134796.db2.gz PKKBAEXZFLHUIU-DLBZAZTESA-N 1 0 350.507 2.023 20 30 FEEDRO Cc1ccc(C#N)c(N2CCC[C@H](C(=O)NC[C@@H](C)C[NH+]3CCCC3)C2)n1 ZINC000372673718 557534196 /nfs/dbraw/zinc/53/41/96/557534196.db2.gz IOYQEQNJSKXZHA-APWZRJJASA-N 1 0 369.513 2.326 20 30 FEEDRO N#Cc1ccccc1Cn1cccc1CNC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000372671967 557534205 /nfs/dbraw/zinc/53/42/05/557534205.db2.gz FTOYBWKXHLVVQP-RTWAWAEBSA-N 1 0 350.466 2.361 20 30 FEEDRO Cc1nn(C)c(C)c1[C@H]1COCCN1CCC(=O)Nc1sccc1C#N ZINC000373153605 557639724 /nfs/dbraw/zinc/63/97/24/557639724.db2.gz MRZCYIYMCBZLQU-OAHLLOKOSA-N 1 0 373.482 2.372 20 30 FEEDRO CN(C)C(=O)COc1cccc(C[NH2+][C@@H]2CCC[C@@H]3O[C@H](CC#N)C[C@@H]32)c1 ZINC000373222594 557653278 /nfs/dbraw/zinc/65/32/78/557653278.db2.gz CZYDHEKTDIMDLZ-WTGUMLROSA-N 1 0 371.481 2.483 20 30 FEEDRO COC(=O)c1ccc(N2CC[N@H+](C)[C@H](Cc3ccccc3)C2)c(C#N)n1 ZINC000520254477 562152000 /nfs/dbraw/zinc/15/20/00/562152000.db2.gz ZALSJGDPMRDOIQ-MRXNPFEDSA-N 1 0 350.422 2.103 20 30 FEEDRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1CCC(=O)N1Cc1cccc(C#N)c1 ZINC000373700194 557741254 /nfs/dbraw/zinc/74/12/54/557741254.db2.gz LSGCVXREKOXSAT-APWZRJJASA-N 1 0 368.481 2.040 20 30 FEEDRO C[C@H](CNC(=O)C(=O)Nc1ccccc1SC[C@@H](C)C#N)[NH+]1CCCC1 ZINC000520844444 562165090 /nfs/dbraw/zinc/16/50/90/562165090.db2.gz XGASRJASRNDGDJ-LSDHHAIUSA-N 1 0 374.510 2.477 20 30 FEEDRO C[C@@H]1CN(C(=O)CSc2ccc(C#N)cc2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000374322462 557865414 /nfs/dbraw/zinc/86/54/14/557865414.db2.gz DIEQMWISYKVKQX-APWZRJJASA-N 1 0 372.538 2.135 20 30 FEEDRO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000374333346 557867300 /nfs/dbraw/zinc/86/73/00/557867300.db2.gz UOUFMUSSMUUXPQ-KLHJMIIUSA-N 1 0 366.465 2.121 20 30 FEEDRO C=CCOc1ccc(C(=O)N2CCN[C@H](c3ccncc3)C2)cc1OC ZINC000374376102 557874400 /nfs/dbraw/zinc/87/44/00/557874400.db2.gz VMHNAYSLWSLXGK-KRWDZBQOSA-N 1 0 353.422 2.442 20 30 FEEDRO COc1cc(C#N)ccc1OCCN1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000374417494 557881345 /nfs/dbraw/zinc/88/13/45/557881345.db2.gz AVLAVWBTOHKZKS-ZHALLVOQSA-N 1 0 359.470 2.129 20 30 FEEDRO CN(C)c1noc([C@H]2CCC[N@H+](CCC(=O)Nc3sccc3C#N)C2)n1 ZINC000374530433 557895556 /nfs/dbraw/zinc/89/55/56/557895556.db2.gz MDOWGULFQNOZBU-ZDUSSCGKSA-N 1 0 374.470 2.277 20 30 FEEDRO C[C@H](C#N)Oc1ccccc1NC(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000374759609 557926750 /nfs/dbraw/zinc/92/67/50/557926750.db2.gz KFLBGBSBAOCWIB-HYVNUMGLSA-N 1 0 358.442 2.040 20 30 FEEDRO N#Cc1ccc2ncc(C[NH+]3CCC4(C[C@@H]4C(=O)N4CCCC4)CC3)n2c1 ZINC000374814638 557935392 /nfs/dbraw/zinc/93/53/92/557935392.db2.gz BKVWDLUTJQGQSH-GOSISDBHSA-N 1 0 363.465 2.430 20 30 FEEDRO N#CC1(NC(=O)CCOC[C@H]2CCCO2)CC[NH+](Cc2ccccc2)CC1 ZINC000374882125 557945404 /nfs/dbraw/zinc/94/54/04/557945404.db2.gz PMESYEBHMNOXRO-LJQANCHMSA-N 1 0 371.481 2.247 20 30 FEEDRO Cc1cc(C)n(CC(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)n1 ZINC000374883840 557945817 /nfs/dbraw/zinc/94/58/17/557945817.db2.gz ZOGXTTIBTQLKFX-UHFFFAOYSA-N 1 0 351.454 2.175 20 30 FEEDRO CN(C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)C(=O)COc1ccc(C#N)cc1 ZINC000375274818 558002770 /nfs/dbraw/zinc/00/27/70/558002770.db2.gz KNBHQODLFSMJHK-RXVVDRJESA-N 1 0 364.449 2.483 20 30 FEEDRO N#Cc1ccc(N2CC[C@H]([N@@H+]3CC[C@]4(C3)C(=O)Nc3ccccc34)C2=O)cc1 ZINC000375316566 558008051 /nfs/dbraw/zinc/00/80/51/558008051.db2.gz ADXAAFIPVWNUPL-SIKLNZKXSA-N 1 0 372.428 2.259 20 30 FEEDRO N#CC1(NC(=O)c2ccc3c(c2)NC(=O)C3)CC[NH+](Cc2ccccc2)CC1 ZINC000375559897 558048555 /nfs/dbraw/zinc/04/85/55/558048555.db2.gz XEVZLZCHNKSILN-UHFFFAOYSA-N 1 0 374.444 2.469 20 30 FEEDRO CC(C)n1nc2c(cc1=O)C[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)CC2 ZINC000375884009 558093454 /nfs/dbraw/zinc/09/34/54/558093454.db2.gz USUNAJVJBQIHSR-UHFFFAOYSA-N 1 0 365.437 2.083 20 30 FEEDRO N#Cc1ccc(S(N)(=O)=O)cc1N[C@@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000376189793 558138805 /nfs/dbraw/zinc/13/88/05/558138805.db2.gz TVYKUFJNJMJMRH-OAHLLOKOSA-N 1 0 362.499 2.415 20 30 FEEDRO CCN(C[C@H](C)C#N)S(=O)(=O)NC1CC[NH+](C2CCC(C)CC2)CC1 ZINC000376383905 558166206 /nfs/dbraw/zinc/16/62/06/558166206.db2.gz HEBOPGOWVVLFPB-UPTPFMHGSA-N 1 0 370.563 2.345 20 30 FEEDRO CO[C@H](C)c1noc(CN2CCCN(c3ccc(C)c(C#N)n3)CC2)n1 ZINC000376415272 558169913 /nfs/dbraw/zinc/16/99/13/558169913.db2.gz ONJWTSVVBSTWCT-CQSZACIVSA-N 1 0 356.430 2.064 20 30 FEEDRO CC(C)(CCC#N)CNC(=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000377033157 558253663 /nfs/dbraw/zinc/25/36/63/558253663.db2.gz SSGBHMVKXQOZGH-MOPGFXCFSA-N 1 0 372.513 2.499 20 30 FEEDRO C=CCN1CC[C@@H]([NH+]2CCC(c3nccc(C(F)(F)F)n3)CC2)C1=O ZINC000377106236 558267624 /nfs/dbraw/zinc/26/76/24/558267624.db2.gz PBJYFHNFMDGVHU-CYBMUJFWSA-N 1 0 354.376 2.462 20 30 FEEDRO C#CCCS(=O)(=O)N[C@H]1CCN(C2CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000377297072 558309017 /nfs/dbraw/zinc/30/90/17/558309017.db2.gz PORIEOIALDMAAJ-DLBZAZTESA-N 1 0 354.422 2.185 20 30 FEEDRO COc1cc(C[NH2+][C@H]2CCN(S(=O)(=O)c3ccccc3)C2)ccc1C#N ZINC000377399425 558333100 /nfs/dbraw/zinc/33/31/00/558333100.db2.gz NVHIXSRFRFARSN-KRWDZBQOSA-N 1 0 371.462 2.120 20 30 FEEDRO C#CCOc1ccc(C[NH+]2CCC(Oc3ccnc(C(N)=O)c3)CC2)cc1 ZINC000377701391 558400721 /nfs/dbraw/zinc/40/07/21/558400721.db2.gz OYDGRVYFKRORIW-UHFFFAOYSA-N 1 0 365.433 2.236 20 30 FEEDRO COC[C@]1(C[NH2+]Cc2cnc3ccc(C#N)cn23)OCCc2ccccc21 ZINC000377723332 558405637 /nfs/dbraw/zinc/40/56/37/558405637.db2.gz NDWAVHVDRXYFHM-NRFANRHFSA-N 1 0 362.433 2.410 20 30 FEEDRO N#CCCCCS(=O)(=O)N1C[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000377770846 558416626 /nfs/dbraw/zinc/41/66/26/558416626.db2.gz QWQQALBUDWGGAF-RTBURBONSA-N 1 0 361.511 2.464 20 30 FEEDRO N#CCOc1ccc(CNC(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@H]3C2)cc1 ZINC000377808969 558424141 /nfs/dbraw/zinc/42/41/41/558424141.db2.gz JPFWUCCHDHOELD-YTQUADARSA-N 1 0 354.454 2.215 20 30 FEEDRO N#Cc1ccc(Cn2cnc(NC(=O)[C@H]3C[C@@H]4CCCC[N@@H+]4C3)n2)cc1 ZINC000378008444 558462233 /nfs/dbraw/zinc/46/22/33/558462233.db2.gz IPQCBDXQCYCRLK-IRXDYDNUSA-N 1 0 350.426 2.011 20 30 FEEDRO C[N@H+](C[C@H]1CC12CCN(C(=O)C#Cc1ccc3c(c1)OCO3)CC2)C1CC1 ZINC000378352306 558536677 /nfs/dbraw/zinc/53/66/77/558536677.db2.gz CUFUWDMFYWDNJS-QGZVFWFLSA-N 1 0 366.461 2.490 20 30 FEEDRO Cn1cc([C@@H](O)C[C@@H]2CCC[N@@H+]2CCC(=O)Nc2ccccc2C#N)cn1 ZINC000378357588 558537599 /nfs/dbraw/zinc/53/75/99/558537599.db2.gz CKFFBKHZPGWEER-HKUYNNGSSA-N 1 0 367.453 2.208 20 30 FEEDRO N#Cc1ccc2ncc(C[NH2+][C@@H]3CC(=O)N([C@@H]4C[C@H]4c4ccccc4)C3)n2c1 ZINC000378405164 558549068 /nfs/dbraw/zinc/54/90/68/558549068.db2.gz QOLSUHBGNIEPDS-YZGWKJHDSA-N 1 0 371.444 2.453 20 30 FEEDRO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CC[C@@H]2CC[N@H+](C)[C@H]2C1 ZINC000378459542 558562532 /nfs/dbraw/zinc/56/25/32/558562532.db2.gz UAQWJEUSAZPSTG-GJYPPUQNSA-N 1 0 358.461 2.487 20 30 FEEDRO N#CC1(NC(=O)COc2ccccc2O)CC[NH+](Cc2ccccc2)CC1 ZINC000378489678 558568288 /nfs/dbraw/zinc/56/82/88/558568288.db2.gz COEHEJFNHMXLCK-UHFFFAOYSA-N 1 0 365.433 2.446 20 30 FEEDRO Cc1ncc(S(=O)(=O)N[C@H](C)C[N@H+](C)Cc2ccccc2)cc1C#N ZINC000386500160 558607076 /nfs/dbraw/zinc/60/70/76/558607076.db2.gz YXSYNAWUARELBG-CQSZACIVSA-N 1 0 358.467 2.061 20 30 FEEDRO C[C@H](C[NH2+]C[C@@H](O)COc1ccc(C#N)cc1)N(C)Cc1ccccc1 ZINC000390655011 558611567 /nfs/dbraw/zinc/61/15/67/558611567.db2.gz FXKKYPKFKZYNIK-YLJYHZDGSA-N 1 0 353.466 2.408 20 30 FEEDRO N#Cc1ccc(N2CCN(C(=O)N[C@H]3CC[N@@H+]4CCCC[C@H]34)CC2)c(F)c1 ZINC000523818312 562220335 /nfs/dbraw/zinc/22/03/35/562220335.db2.gz ZKGQPNWSHQJIOR-PKOBYXMFSA-N 1 0 371.460 2.156 20 30 FEEDRO Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N3CC[N@@H+](C)C[C@H]3C(C)C)C2)n1 ZINC000408283602 558663875 /nfs/dbraw/zinc/66/38/75/558663875.db2.gz MNIDUTJTCRWLHS-MOPGFXCFSA-N 1 0 369.513 2.277 20 30 FEEDRO CC(C)[C@H](CNC(=O)CNC(=O)c1ccc(C#N)cc1)[NH+]1CCC(C)CC1 ZINC000524275613 562226355 /nfs/dbraw/zinc/22/63/55/562226355.db2.gz NENKNSCOUISUMH-IBGZPJMESA-N 1 0 370.497 2.161 20 30 FEEDRO CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NS(=O)(=O)N(C)C[C@H](C)C#N ZINC000409507843 558698876 /nfs/dbraw/zinc/69/88/76/558698876.db2.gz BJCNSUXJONHWML-SJLPKXTDSA-N 1 0 366.531 2.069 20 30 FEEDRO CCN(C[C@@H](C)C#N)S(=O)(=O)N(CCC[NH+](C)C)Cc1ccccc1 ZINC000409550971 558702455 /nfs/dbraw/zinc/70/24/55/558702455.db2.gz HYCQEZSBOVNDBT-KRWDZBQOSA-N 1 0 366.531 2.167 20 30 FEEDRO C[NH+](C)C1(CNS(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)CCC1 ZINC000410403508 558755574 /nfs/dbraw/zinc/75/55/74/558755574.db2.gz LGKIFFXYLHIYRL-UHFFFAOYSA-N 1 0 361.389 2.340 20 30 FEEDRO C[C@H]1C[N@H+](CCC2(C#N)CCCCC2)CCN1c1nccn2cnnc12 ZINC000411381400 558886509 /nfs/dbraw/zinc/88/65/09/558886509.db2.gz CTMWYGPHGZEIBJ-INIZCTEOSA-N 1 0 353.474 2.499 20 30 FEEDRO C[C@@H](O)CC[NH+]1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 ZINC000411419632 558892024 /nfs/dbraw/zinc/89/20/24/558892024.db2.gz HCOJOTGGLGPUEE-CJNGLKHVSA-N 1 0 352.276 2.402 20 30 FEEDRO N#Cc1ccc(NC(=O)CC[NH2+]C2(CO)CCSCC2)cc1Cl ZINC000411826684 558971754 /nfs/dbraw/zinc/97/17/54/558971754.db2.gz SOAHCINZHWEJPN-UHFFFAOYSA-N 1 0 353.875 2.388 20 30 FEEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH2+]C(C)(C)CN2CCOCC2)c1 ZINC000412009099 559001764 /nfs/dbraw/zinc/00/17/64/559001764.db2.gz ZXARAWIFJALCLR-UHFFFAOYSA-N 1 0 372.513 2.251 20 30 FEEDRO C[C@@H](NC(=O)c1cccc(SCC#N)c1)C(=O)NCC[NH+]1CCCCC1 ZINC000412319090 559027493 /nfs/dbraw/zinc/02/74/93/559027493.db2.gz HUMAOOQGBYHHOR-OAHLLOKOSA-N 1 0 374.510 2.023 20 30 FEEDRO C=CCNc1ncc(C(=O)Nc2ccc(OCC[NH+](C)C)c(F)c2)s1 ZINC000412419467 559034281 /nfs/dbraw/zinc/03/42/81/559034281.db2.gz QAJKDOOUMOLEBV-UHFFFAOYSA-N 1 0 364.446 3.073 20 30 FEEDRO Cc1cc(N2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)c(C#N)cc1[N+](=O)[O-] ZINC000413127148 559080854 /nfs/dbraw/zinc/08/08/54/559080854.db2.gz AOYCQOXIDDRHDN-KRWDZBQOSA-N 1 0 357.458 2.381 20 30 FEEDRO Cc1cc(N2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c(C#N)cc1[N+](=O)[O-] ZINC000413217089 559089279 /nfs/dbraw/zinc/08/92/79/559089279.db2.gz XGQOTINGUVNBIS-DOTOQJQBSA-N 1 0 357.458 2.237 20 30 FEEDRO CSc1nc(C2CC2)cc(C(=O)N[C@@H](CO)C[NH+]2CCCCC2)c1C#N ZINC000413804627 559131558 /nfs/dbraw/zinc/13/15/58/559131558.db2.gz LJYBHKVPQYCPRE-CQSZACIVSA-N 1 0 374.510 2.129 20 30 FEEDRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NCC(=O)NC1(C#N)CCC1 ZINC000527049618 562274559 /nfs/dbraw/zinc/27/45/59/562274559.db2.gz GCTCEYZGDRJNKR-IRXDYDNUSA-N 1 0 354.498 2.295 20 30 FEEDRO C[NH2+]Cc1ccccc1NC(=O)C(=O)N(Cc1ccc(C#N)cc1)C1CC1 ZINC000415185071 559213012 /nfs/dbraw/zinc/21/30/12/559213012.db2.gz POISBMUZNQFXCF-UHFFFAOYSA-N 1 0 362.433 2.407 20 30 FEEDRO N#Cc1cccc(Oc2ccc(NC(=O)C(=O)NC3CC[NH2+]CC3)cc2)c1 ZINC000415270210 559219860 /nfs/dbraw/zinc/21/98/60/559219860.db2.gz NXDZLEWJSOVJTJ-UHFFFAOYSA-N 1 0 364.405 2.157 20 30 FEEDRO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)Nc2sc(C(C)(C)C)cc2C#N)C1 ZINC000415288467 559221267 /nfs/dbraw/zinc/22/12/67/559221267.db2.gz YWMZVXXZSLNBBV-LBPRGKRZSA-N 1 0 362.499 2.314 20 30 FEEDRO N#Cc1ccccc1Oc1ccc(NC(=O)C(=O)N2CC[C@H](C[NH3+])C2)cc1 ZINC000415351127 559226422 /nfs/dbraw/zinc/22/64/22/559226422.db2.gz HFOJZUAOOYGAHA-CQSZACIVSA-N 1 0 364.405 2.096 20 30 FEEDRO C[C@@H]([NH3+])C1CCN(C(=O)C(=O)Nc2sc(C(C)(C)C)cc2C#N)CC1 ZINC000415389404 559230174 /nfs/dbraw/zinc/23/01/74/559230174.db2.gz SURWTRAQHNNLRK-LLVKDONJSA-N 1 0 362.499 2.442 20 30 FEEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000415421290 559233899 /nfs/dbraw/zinc/23/38/99/559233899.db2.gz BZGDRXISKIGMQU-QGZVFWFLSA-N 1 0 372.469 2.308 20 30 FEEDRO N#Cc1ccc(Oc2cccc(NC(=O)C(=O)N[C@H](C[NH3+])C3CC3)c2)cc1 ZINC000415455850 559238990 /nfs/dbraw/zinc/23/89/90/559238990.db2.gz QAZXTAALCXMLNB-GOSISDBHSA-N 1 0 364.405 2.143 20 30 FEEDRO N#Cc1ccc(-n2ccc(NC(=O)NC[C@H]3CCC[C@@H]([NH3+])C3)n2)c(Cl)c1 ZINC000415460530 559239534 /nfs/dbraw/zinc/23/95/34/559239534.db2.gz NKADONHNOFMNCW-UONOGXRCSA-N 1 0 372.860 3.036 20 30 FEEDRO C[C@@]1(CNC(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)CCC[NH2+]C1 ZINC000415467489 559240314 /nfs/dbraw/zinc/24/03/14/559240314.db2.gz VKIAEKRFLBZHCY-GOSISDBHSA-N 1 0 372.860 2.909 20 30 FEEDRO C[NH2+]C[C@H]1CCCN1C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 ZINC000415468320 559240434 /nfs/dbraw/zinc/24/04/34/559240434.db2.gz WDWIBVAEIDORHA-CYBMUJFWSA-N 1 0 358.833 2.613 20 30 FEEDRO CCCC[C@@H](C[NH3+])NC(=O)Nc1ccc(S(=O)(=O)[C@@H](C)C#N)cc1 ZINC000415603710 559254339 /nfs/dbraw/zinc/25/43/39/559254339.db2.gz UIRROVIQHIACOM-JSGCOSHPSA-N 1 0 352.460 2.011 20 30 FEEDRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)Nc1ccccc1C#Cc1ccccc1 ZINC000415660705 559259182 /nfs/dbraw/zinc/25/91/82/559259182.db2.gz PUNJKPDKOXXSRY-APWZRJJASA-N 1 0 361.445 2.139 20 30 FEEDRO Cc1ccc(C#N)cc1NC(=O)C(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000415830479 559276200 /nfs/dbraw/zinc/27/62/00/559276200.db2.gz MEOSFZULKQJVIN-QGZVFWFLSA-N 1 0 350.422 2.402 20 30 FEEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)NCCC[NH2+]C1CC1 ZINC000415865046 559279827 /nfs/dbraw/zinc/27/98/27/559279827.db2.gz WVSFTASRPBBJKV-CYBMUJFWSA-N 1 0 360.483 2.135 20 30 FEEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)NCCC1=CC[NH2+]CC1 ZINC000415870679 559280285 /nfs/dbraw/zinc/28/02/85/559280285.db2.gz GBALBBXDZBPDTJ-CQSZACIVSA-N 1 0 372.494 2.303 20 30 FEEDRO CCCN(C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1)[C@H]1CC[NH2+]C1 ZINC000417569032 559367101 /nfs/dbraw/zinc/36/71/01/559367101.db2.gz BYTPGIIZFRSUKW-IRXDYDNUSA-N 1 0 373.476 2.450 20 30 FEEDRO C[C@@H]1[NH2+]CCN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)[C@H]1C ZINC000417580677 559367552 /nfs/dbraw/zinc/36/75/52/559367552.db2.gz RKCCMHJOYSJFSN-OFQRWUPVSA-N 1 0 359.449 2.058 20 30 FEEDRO N#CCCC[C@H](NC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1)c1ccccc1 ZINC000418209993 559394078 /nfs/dbraw/zinc/39/40/78/559394078.db2.gz GDNOVJSAKLECJB-OALUTQOASA-N 1 0 355.486 2.111 20 30 FEEDRO N#Cc1c(F)cccc1N1CCN(C(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000418738915 559413344 /nfs/dbraw/zinc/41/33/44/559413344.db2.gz ZSPIXOAZMSWXCO-HUUCEWRRSA-N 1 0 359.449 2.046 20 30 FEEDRO C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000419060498 559426677 /nfs/dbraw/zinc/42/66/77/559426677.db2.gz TYPPOOHYNWCRIU-VQTJNVASSA-N 1 0 369.509 2.281 20 30 FEEDRO C=CCCC[C@H](C)NC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(OC)cc1 ZINC000419153572 559430156 /nfs/dbraw/zinc/43/01/56/559430156.db2.gz OUQOJJVHAGFPQC-KFKAGJAMSA-N 1 0 373.497 2.118 20 30 FEEDRO C[C@@H](NC(=O)C(=O)N[C@@H](C)CC[NH3+])c1ccc(-c2cccc(C#N)c2)cc1 ZINC000419203965 559432593 /nfs/dbraw/zinc/43/25/93/559432593.db2.gz HKSBUDNOXXNBGY-LSDHHAIUSA-N 1 0 364.449 2.256 20 30 FEEDRO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1Cc1ccc(C#N)cc1Br ZINC000419346357 559438760 /nfs/dbraw/zinc/43/87/60/559438760.db2.gz VBPUCYGUXWZXPK-QWHCGFSZSA-N 1 0 352.276 2.208 20 30 FEEDRO C=CCC[C@H](NC(=O)C(=O)NCCC[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000419468346 559444075 /nfs/dbraw/zinc/44/40/75/559444075.db2.gz BCXDYIDWKGURPI-AWEZNQCLSA-N 1 0 357.376 2.294 20 30 FEEDRO C[N@H+](CCCO)C1CCN(C(=O)N[C@@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000419633457 559450672 /nfs/dbraw/zinc/45/06/72/559450672.db2.gz HBBIVVUXPUSCBW-HXUWFJFHSA-N 1 0 370.497 2.424 20 30 FEEDRO C=C(C)[C@H](NC(=O)C(=O)N1CCC[C@@H](C[NH2+]C)C1)c1ccc(F)c(F)c1 ZINC000419675867 559453291 /nfs/dbraw/zinc/45/32/91/559453291.db2.gz KTOAGPGKLXVTOY-GUYCJALGSA-N 1 0 365.424 2.156 20 30 FEEDRO C=C(C)[C@H](NC(=O)C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1)c1ccc(F)c(F)c1 ZINC000419675940 559453361 /nfs/dbraw/zinc/45/33/61/559453361.db2.gz LFPACOQTJZKWCK-MRRJBJDNSA-N 1 0 365.424 2.142 20 30 FEEDRO C=C(C)[C@H](NC(=O)C(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+])c1ccc(F)c(F)c1 ZINC000419679958 559453692 /nfs/dbraw/zinc/45/36/92/559453692.db2.gz QIVSUEMHACQIML-JLZZUVOBSA-N 1 0 365.424 2.427 20 30 FEEDRO C=CCC[C@H]1NC(=O)N(C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2OCC)C1=O ZINC000420078811 559471481 /nfs/dbraw/zinc/47/14/81/559471481.db2.gz DFOKASMRNRDKBW-IPMKNSEASA-N 1 0 371.481 2.410 20 30 FEEDRO CC(C)(CC#N)CNC(=O)C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000420849459 559507707 /nfs/dbraw/zinc/50/77/07/559507707.db2.gz NUWICKDOFPVOGC-AWEZNQCLSA-N 1 0 362.499 2.057 20 30 FEEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1C[C@@H](C)C[C@H](CO)C1 ZINC000420950826 559513609 /nfs/dbraw/zinc/51/36/09/559513609.db2.gz WQPFRBODLDJKEH-ULQDDVLXSA-N 1 0 359.470 2.281 20 30 FEEDRO CC(=O)N[C@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000420975680 559516344 /nfs/dbraw/zinc/51/63/44/559516344.db2.gz AGUVTNWMARVPPD-AWEZNQCLSA-N 1 0 374.510 2.428 20 30 FEEDRO CNC(=O)[C@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)C1 ZINC000420980494 559516849 /nfs/dbraw/zinc/51/68/49/559516849.db2.gz USMIHXKBWHNSJS-OLZOCXBDSA-N 1 0 374.510 2.141 20 30 FEEDRO CN(CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)C[C@@H]1CCC[N@@H+]1C ZINC000420996224 559518572 /nfs/dbraw/zinc/51/85/72/559518572.db2.gz FRBXDTYXBLPIBF-KRWDZBQOSA-N 1 0 367.415 2.199 20 30 FEEDRO CCOC(=O)c1c(NC(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)c(C#N)cn1CC ZINC000421189384 559530116 /nfs/dbraw/zinc/53/01/16/559530116.db2.gz ZYJKWTLRFCLSDP-LJQANCHMSA-N 1 0 373.457 2.116 20 30 FEEDRO CC(C)(C)S(=O)(=O)N1CCC([NH2+]Cc2ccc(C#N)c(F)c2)CC1 ZINC000421383895 559540795 /nfs/dbraw/zinc/54/07/95/559540795.db2.gz JSJVVLPJTIRGCQ-UHFFFAOYSA-N 1 0 353.463 2.380 20 30 FEEDRO CCOCC[N@@H+]1CCN(C(=O)NCc2ccc(C#N)s2)C[C@@H]1CC ZINC000422219642 559572163 /nfs/dbraw/zinc/57/21/63/559572163.db2.gz OVKJUTVSECXEKI-AWEZNQCLSA-N 1 0 350.488 2.262 20 30 FEEDRO C[NH+](C)C1CCC(NC(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)CC1 ZINC000422246536 559573252 /nfs/dbraw/zinc/57/32/52/559573252.db2.gz SSZVKTVIMHRVIM-SOAGJPPSSA-N 1 0 369.513 2.279 20 30 FEEDRO C[C@H]1C[C@@H](NC(=O)C(=O)NCC(C)(C)CC#N)CC[N@@H+]1Cc1ccccc1 ZINC000422307704 559577400 /nfs/dbraw/zinc/57/74/00/559577400.db2.gz OMHFXMXLRJNVJM-WMZOPIPTSA-N 1 0 370.497 2.212 20 30 FEEDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)NCC(C)(C)CC#N ZINC000422343172 559579927 /nfs/dbraw/zinc/57/99/27/559579927.db2.gz SGPJNNMNURFVAA-FUHWJXTLSA-N 1 0 370.497 2.069 20 30 FEEDRO CC(C)(CC#N)CNC(=O)C(=O)NCC[NH+]1CCC2(CCCCC2)CC1 ZINC000422357833 559581315 /nfs/dbraw/zinc/58/13/15/559581315.db2.gz BIWUKPUEWHQMIE-UHFFFAOYSA-N 1 0 362.518 2.205 20 30 FEEDRO C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000422535738 559593529 /nfs/dbraw/zinc/59/35/29/559593529.db2.gz CFBJZMPNMADZDH-HXUWFJFHSA-N 1 0 371.525 2.480 20 30 FEEDRO C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000422546662 559594209 /nfs/dbraw/zinc/59/42/09/559594209.db2.gz UYORYZSAWUATOX-UXHICEINSA-N 1 0 369.509 2.234 20 30 FEEDRO C=CCN(CCc1ccccc1)C(=O)C(=O)NC1CCC([NH+](C)C)CC1 ZINC000422626428 559598548 /nfs/dbraw/zinc/59/85/48/559598548.db2.gz JZFNQKYHJBUIND-UHFFFAOYSA-N 1 0 357.498 2.233 20 30 FEEDRO CC(C)(C(=O)N1CCN(c2cc(C#N)ccn2)CC1)[C@@H]([NH3+])c1ccccc1 ZINC000422720756 559604206 /nfs/dbraw/zinc/60/42/06/559604206.db2.gz MVBYSXLOCKTXDR-IBGZPJMESA-N 1 0 363.465 2.328 20 30 FEEDRO C=CCN(CCc1ccccc1)C(=O)C(=O)N1CCC(CC[NH2+]C)CC1 ZINC000423189018 559622351 /nfs/dbraw/zinc/62/23/51/559622351.db2.gz OIVUBSMECRROCY-UHFFFAOYSA-N 1 0 357.498 2.092 20 30 FEEDRO C=CCN(CCc1ccccc1)C(=O)C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000423190235 559622445 /nfs/dbraw/zinc/62/24/45/559622445.db2.gz QQOSTUZNESUXRY-HXUWFJFHSA-N 1 0 369.509 2.092 20 30 FEEDRO C=CCOc1ccc(C(=O)NC2CCC(N3CC[NH2+]CC3)CC2)cc1OC ZINC000423950951 559647769 /nfs/dbraw/zinc/64/77/69/559647769.db2.gz OITLZNZJDPPRIW-UHFFFAOYSA-N 1 0 373.497 2.206 20 30 FEEDRO CCN(CC)C(=O)Cn1ccc2cc(NC(=O)[C@H]([NH3+])CCCC#N)ccc21 ZINC000424110472 559655199 /nfs/dbraw/zinc/65/51/99/559655199.db2.gz CYDUEOFNKZYTGN-QGZVFWFLSA-N 1 0 369.469 2.469 20 30 FEEDRO CCC(CC)NC(=O)[C@H]1CN(C(=O)[C@H]([NH3+])CCCC#N)c2ccccc2O1 ZINC000424117407 559655404 /nfs/dbraw/zinc/65/54/04/559655404.db2.gz YNZYLNNLMYZYSU-CRAIPNDOSA-N 1 0 372.469 2.107 20 30 FEEDRO N#CCCC[C@@H]([NH3+])C(=O)Nc1ccn(-c2cccc(C(F)(F)F)c2)n1 ZINC000424179868 559656851 /nfs/dbraw/zinc/65/68/51/559656851.db2.gz ZUOCTTBFPIWHOS-CYBMUJFWSA-N 1 0 351.332 2.851 20 30 FEEDRO CN1CC[C@H](NC(=O)[C@@H]([NH3+])CCCC#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000424178596 559656909 /nfs/dbraw/zinc/65/69/09/559656909.db2.gz XETFZSKUXOLPEK-HRCADAONSA-N 1 0 352.841 2.362 20 30 FEEDRO Cc1cc(C[NH3+])cc(NC(=O)N2CCN(c3ncccc3C#N)CC2)c1 ZINC000424432097 559664517 /nfs/dbraw/zinc/66/45/17/559664517.db2.gz BDJJOGARCYDGHX-UHFFFAOYSA-N 1 0 350.426 2.075 20 30 FEEDRO C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424559061 559669333 /nfs/dbraw/zinc/66/93/33/559669333.db2.gz XHEFZKIDNYGCAV-MJGOQNOKSA-N 1 0 369.509 2.281 20 30 FEEDRO C=CCn1cc(CNC(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)nn1 ZINC000425430210 559702016 /nfs/dbraw/zinc/70/20/16/559702016.db2.gz DPVIDRLMPKLPJL-LJQANCHMSA-N 1 0 368.485 2.318 20 30 FEEDRO COc1cc(C#N)ccc1OCC[NH2+][C@H](C1CCOCC1)C1(CO)CCC1 ZINC000425543962 559708894 /nfs/dbraw/zinc/70/88/94/559708894.db2.gz PFZFXJHDBSKFQW-HXUWFJFHSA-N 1 0 374.481 2.493 20 30 FEEDRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN(C)[C@H](C)c2cccc(C#N)c2)C1 ZINC000425547027 559709061 /nfs/dbraw/zinc/70/90/61/559709061.db2.gz WWNUUXFAOFNTEW-XLIONFOSSA-N 1 0 372.513 2.024 20 30 FEEDRO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000425860750 559723128 /nfs/dbraw/zinc/72/31/28/559723128.db2.gz HPFWNSCJDARUJQ-INIZCTEOSA-N 1 0 370.497 2.458 20 30 FEEDRO C=CCN(CC=C)C(=O)[C@H](C)N(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425995181 559727152 /nfs/dbraw/zinc/72/71/52/559727152.db2.gz TVVOZFJCHZORFE-UGKGYDQZSA-N 1 0 371.525 2.144 20 30 FEEDRO COc1cc(NC(=O)N(CCC#N)CCC[NH+](C)C)cc(OC)c1OC ZINC000426017956 559727816 /nfs/dbraw/zinc/72/78/16/559727816.db2.gz OIINECKNGQQUKU-UHFFFAOYSA-N 1 0 364.446 2.412 20 30 FEEDRO Cc1ccc(OC[C@@H](O)C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)c(C)c1 ZINC000428771055 559783014 /nfs/dbraw/zinc/78/30/14/559783014.db2.gz HGDJZWAMWBYFQJ-OALUTQOASA-N 1 0 367.449 2.463 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@@H]1CC(=O)N(C(C)(C)C)C1)C(C)C ZINC000428908828 559785756 /nfs/dbraw/zinc/78/57/56/559785756.db2.gz VKSUWEWBOAYVDO-IAGOWNOFSA-N 1 0 364.534 2.384 20 30 FEEDRO C[C@H]1C[C@H]1[N@@H+]1CCN([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C[C@@H](C)C1 ZINC000429019583 559788677 /nfs/dbraw/zinc/78/86/77/559788677.db2.gz JNKUVQHNZFLHMN-WOUAJJJCSA-N 1 0 352.482 2.326 20 30 FEEDRO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)OC)C1 ZINC000429128424 559791414 /nfs/dbraw/zinc/79/14/14/559791414.db2.gz PFXJUOLWMBLXFO-VBNZEHGJSA-N 1 0 350.846 2.219 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNS(=O)(=O)c1c(Cl)cnn1C)C(C)C ZINC000429905043 559808221 /nfs/dbraw/zinc/80/82/21/559808221.db2.gz DRUAPZSYXJNNLV-AWEZNQCLSA-N 1 0 360.911 2.050 20 30 FEEDRO Cc1[nH]nc(NC(=O)c2ccc(CN3C[C@H](C)O[C@@H](C)C3)cc2)c1C#N ZINC000431444383 559839287 /nfs/dbraw/zinc/83/92/87/559839287.db2.gz JXPSNOFDDALECT-STQMWFEESA-N 1 0 353.426 2.451 20 30 FEEDRO CC(C)(C)NC(=O)CC[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000433327070 559877078 /nfs/dbraw/zinc/87/70/78/559877078.db2.gz QSLJHUKVMWHJJJ-UHFFFAOYSA-N 1 0 354.458 2.253 20 30 FEEDRO C=C[C@](C)(CCOC)C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000437642494 559967233 /nfs/dbraw/zinc/96/72/33/559967233.db2.gz VQGIYUHUCIFTAH-OAQYLSRUSA-N 1 0 359.514 2.149 20 30 FEEDRO N#Cc1ccc(CN2CC[NH+](C[C@H]3CCOC3)CC2)c(OC(F)F)c1 ZINC000437648095 559967289 /nfs/dbraw/zinc/96/72/89/559967289.db2.gz FUNMMPKZSOVEBZ-OAHLLOKOSA-N 1 0 351.397 2.314 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000440989653 560020923 /nfs/dbraw/zinc/02/09/23/560020923.db2.gz UNCFPGLTMIDHMV-UHFFFAOYSA-N 1 0 350.532 2.472 20 30 FEEDRO C[C@H](C#N)CN(C(=O)C(=O)Nc1cccc(CC[N@H+](C)C2CC2)c1)C1CC1 ZINC000441940997 560041347 /nfs/dbraw/zinc/04/13/47/560041347.db2.gz GDJGBPPMVZYWLW-OAHLLOKOSA-N 1 0 368.481 2.412 20 30 FEEDRO C[NH+](C)CCOCCNC(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 ZINC000442229064 560046422 /nfs/dbraw/zinc/04/64/22/560046422.db2.gz ZFUDRTGPDNHRJP-UHFFFAOYSA-N 1 0 360.336 2.157 20 30 FEEDRO N#C[C@@H]1CC[C@H]([NH2+]Cc2ccccc2OCC(=O)NC[C@@H]2CCCO2)C1 ZINC000442774928 560057055 /nfs/dbraw/zinc/05/70/55/560057055.db2.gz BDTWMHNQDXJVPL-NJAFHUGGSA-N 1 0 357.454 2.142 20 30 FEEDRO N#Cc1ccc([C@H]([NH2+]CCN2CCc3c(Cl)cccc3C2)C(N)=O)cc1 ZINC000442775270 560057229 /nfs/dbraw/zinc/05/72/29/560057229.db2.gz GCRWXDLBYVMNGJ-IBGZPJMESA-N 1 0 368.868 2.386 20 30 FEEDRO CCOC(=O)C1CCN(C(=O)C[C@@H](C)[NH2+]CC2CCC(C#N)CC2)CC1 ZINC000442869730 560060168 /nfs/dbraw/zinc/06/01/68/560060168.db2.gz SSHZIPGOQQFAOB-KLAILNCOSA-N 1 0 363.502 2.486 20 30 FEEDRO N#C[C@@H]1CCC[C@@H]([NH2+]CCNS(=O)(=O)c2ccc(Cl)cc2F)C1 ZINC000442874201 560060383 /nfs/dbraw/zinc/06/03/83/560060383.db2.gz MCJCOCRLGINIQU-DGCLKSJQSA-N 1 0 359.854 2.429 20 30 FEEDRO C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC000443866380 560094756 /nfs/dbraw/zinc/09/47/56/560094756.db2.gz FLUZWHYVXYXCDO-QFBILLFUSA-N 1 0 357.454 2.039 20 30 FEEDRO N#CC(CC[N@H+]1CC[C@H](S(N)(=O)=O)C1)(c1ccccc1)c1ccccc1 ZINC000444668246 560117907 /nfs/dbraw/zinc/11/79/07/560117907.db2.gz ZIPBKHBLDKFVCV-IBGZPJMESA-N 1 0 369.490 2.249 20 30 FEEDRO C[NH+](C)C1(CNC(=O)N2CCN(c3cccc(F)c3C#N)CC2)CCC1 ZINC000445846146 560135483 /nfs/dbraw/zinc/13/54/83/560135483.db2.gz DXMHCPOCADNVKV-UHFFFAOYSA-N 1 0 359.449 2.013 20 30 FEEDRO N#C[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)C1 ZINC000447588435 560164981 /nfs/dbraw/zinc/16/49/81/560164981.db2.gz UKVOIFGIQGYTAD-RSPOEFSDSA-N 1 0 352.482 2.257 20 30 FEEDRO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1C[C@H](C)OC2(CCOCC2)C1 ZINC000447820798 560169993 /nfs/dbraw/zinc/16/99/93/560169993.db2.gz HZLVANMKAHRTAE-HKUYNNGSSA-N 1 0 361.482 2.425 20 30 FEEDRO C[NH+](C)[C@@H]1CCN(c2ccc(NC(=O)c3ncc(C#N)cc3Cl)nc2)C1 ZINC000448450548 560187319 /nfs/dbraw/zinc/18/73/19/560187319.db2.gz AVXUJCDGTSMMRR-CQSZACIVSA-N 1 0 370.844 2.394 20 30 FEEDRO C[C@@H]1C[C@]1(C#N)C(=O)NCCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000448739091 560197352 /nfs/dbraw/zinc/19/73/52/560197352.db2.gz SHOOGDGUORNWNR-WIYYLYMNSA-N 1 0 354.498 2.250 20 30 FEEDRO CC[N@H+](CCNC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)C1CC1 ZINC000448900490 560205679 /nfs/dbraw/zinc/20/56/79/560205679.db2.gz ZRBNNPLSQIAPTG-CQSZACIVSA-N 1 0 374.872 2.165 20 30 FEEDRO C[C@H]1CC[N@H+](C)CCN1C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 ZINC000448982110 560210285 /nfs/dbraw/zinc/21/02/85/560210285.db2.gz WIUVMTRLOOCMMK-DZGCQCFKSA-N 1 0 374.872 2.117 20 30 FEEDRO CCn1nnc(C)c1C[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000449014392 560212070 /nfs/dbraw/zinc/21/20/70/560212070.db2.gz AMNJLODVZFDLHO-UHFFFAOYSA-N 1 0 352.442 2.329 20 30 FEEDRO CC(C)(C)[NH2+]CCNC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 ZINC000449910175 560245029 /nfs/dbraw/zinc/24/50/29/560245029.db2.gz FGZKQSSGYZSEHJ-CYBMUJFWSA-N 1 0 362.861 2.069 20 30 FEEDRO N#CCc1ccc(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c(Cl)c1 ZINC000451052896 560284754 /nfs/dbraw/zinc/28/47/54/560284754.db2.gz FZOWOMWWGPSLBJ-CABCVRRESA-N 1 0 353.875 2.311 20 30 FEEDRO N#Cc1cccc(NC(=O)CC[N@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)c1 ZINC000451232020 560294560 /nfs/dbraw/zinc/29/45/60/560294560.db2.gz WZQCHZRJKDUIPZ-DLBZAZTESA-N 1 0 362.433 2.168 20 30 FEEDRO CC[C@@H]1CN(CCNC(=O)c2cccc(C#N)c2Br)CCO1 ZINC000451245828 560295484 /nfs/dbraw/zinc/29/54/84/560295484.db2.gz UOAPLRDULFLYNP-CYBMUJFWSA-N 1 0 366.259 2.161 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000451608184 560317235 /nfs/dbraw/zinc/31/72/35/560317235.db2.gz RIYLWPGMTFUHBX-CVEARBPZSA-N 1 0 352.356 2.106 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1cc(OCC)n2nc(C(F)(F)F)nc2n1 ZINC000451676416 560321364 /nfs/dbraw/zinc/32/13/64/560321364.db2.gz AARMDEKBXPXZID-NEPJUHHUSA-N 1 0 371.363 2.365 20 30 FEEDRO C[C@@H]1CN(CC(F)(F)F)CC[N@H+](C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000451880589 560334059 /nfs/dbraw/zinc/33/40/59/560334059.db2.gz WZPXEQDVXIVICT-HOCLYGCPSA-N 1 0 371.403 2.114 20 30 FEEDRO C=CCn1c([C@H]2CCCO2)nnc1N1CCN(c2cc[nH+]cc2OC)CC1 ZINC000453410455 560386192 /nfs/dbraw/zinc/38/61/92/560386192.db2.gz BCPBJXRZEVUKJX-MRXNPFEDSA-N 1 0 370.457 2.046 20 30 FEEDRO Cc1cc(C#N)cc(NC(=O)C(=O)NCCCC[N@H+]2CCC[C@H](C)C2)c1 ZINC000453589059 560389984 /nfs/dbraw/zinc/38/99/84/560389984.db2.gz FEECXRIYBYUBCI-HNNXBMFYSA-N 1 0 356.470 2.434 20 30 FEEDRO CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc(CC#N)cc2Cl)C1 ZINC000453615767 560391409 /nfs/dbraw/zinc/39/14/09/560391409.db2.gz GEKUVYAZFHUPCR-AWEZNQCLSA-N 1 0 362.861 2.193 20 30 FEEDRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)Nc2cccc(CC#N)c2)C1 ZINC000453629497 560392098 /nfs/dbraw/zinc/39/20/98/560392098.db2.gz XXGMJKYPUDLQEM-HNNXBMFYSA-N 1 0 356.470 2.318 20 30 FEEDRO N#CCc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)c(Cl)c1 ZINC000453647395 560393183 /nfs/dbraw/zinc/39/31/83/560393183.db2.gz VSFUYGMLPZBYJF-CQSZACIVSA-N 1 0 374.872 2.478 20 30 FEEDRO CC(C)[C@@H]1CCc2c(C#N)c(NC(=O)C(=O)NCCN3CCC3)sc2C1 ZINC000453671024 560395393 /nfs/dbraw/zinc/39/53/93/560395393.db2.gz LRZGOTOGWBLBLT-CYBMUJFWSA-N 1 0 374.510 2.141 20 30 FEEDRO Cc1cc(C#N)cc(NC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000453674458 560395756 /nfs/dbraw/zinc/39/57/56/560395756.db2.gz RGLQQGWICVTMLM-LPHOPBHVSA-N 1 0 366.465 2.281 20 30 FEEDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)Nc2cccc(CC#N)c2)C1 ZINC000453679638 560396062 /nfs/dbraw/zinc/39/60/62/560396062.db2.gz YOEIHBPETZRQMB-QGZVFWFLSA-N 1 0 356.470 2.175 20 30 FEEDRO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1ccc(CC#N)cc1Cl ZINC000453706824 560398475 /nfs/dbraw/zinc/39/84/75/560398475.db2.gz GHSHYDGFBHGVAX-JSGCOSHPSA-N 1 0 360.845 2.040 20 30 FEEDRO Cc1nc(NC(=O)C(=O)N[C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)ccc1C#N ZINC000453732182 560400249 /nfs/dbraw/zinc/40/02/49/560400249.db2.gz CVWCNMOVOYDCPW-KSSFIOAISA-N 1 0 365.437 2.008 20 30 FEEDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)C(=O)Nc1ccc(CC#N)cc1Cl ZINC000453756009 560401884 /nfs/dbraw/zinc/40/18/84/560401884.db2.gz XTFXFGLOLPSFIO-ZFWWWQNUSA-N 1 0 374.872 2.430 20 30 FEEDRO C=C(C)CCNC(=O)C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000453894920 560411365 /nfs/dbraw/zinc/41/13/65/560411365.db2.gz SKBBWNWNHWHGAE-UHFFFAOYSA-N 1 0 361.511 2.299 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1NC(=O)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000453962632 560417025 /nfs/dbraw/zinc/41/70/25/560417025.db2.gz WQUKFKXIYJNZNM-SQNIBIBYSA-N 1 0 357.454 2.024 20 30 FEEDRO CC(C)(C)CC(C)(C)[NH+]1CCN(C(=O)C(=O)Nc2ccc(C#N)cn2)CC1 ZINC000454008445 560421682 /nfs/dbraw/zinc/42/16/82/560421682.db2.gz KACAQDACHKTZLX-UHFFFAOYSA-N 1 0 371.485 2.251 20 30 FEEDRO C=CCC[C@@H](CO)NC(=O)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000454064698 560426046 /nfs/dbraw/zinc/42/60/46/560426046.db2.gz YLNMNUHTZAGZLW-IBGZPJMESA-N 1 0 373.497 2.097 20 30 FEEDRO C=CCC[C@H](CO)NC(=O)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000454064699 560426063 /nfs/dbraw/zinc/42/60/63/560426063.db2.gz YLNMNUHTZAGZLW-LJQANCHMSA-N 1 0 373.497 2.097 20 30 FEEDRO C=CC(C)(C)CNC(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000455360684 560479503 /nfs/dbraw/zinc/47/95/03/560479503.db2.gz CRBIBHVOMWHIMJ-SFHVURJKSA-N 1 0 372.513 2.395 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@@H]1C[C@H]2CCCCN2C1=O)C(C)C ZINC000455623026 560489575 /nfs/dbraw/zinc/48/95/75/560489575.db2.gz MCLXFXKNERBEIB-KZNAEPCWSA-N 1 0 362.518 2.138 20 30 FEEDRO C[NH+]1CCC(O)(CNC(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)CC1 ZINC000455790461 560494759 /nfs/dbraw/zinc/49/47/59/560494759.db2.gz IJZCMNFIJUNFTQ-UHFFFAOYSA-N 1 0 360.458 2.314 20 30 FEEDRO Cc1cc(C#N)cc(NC(=O)NC[C@H](O)C[N@@H+]2CCc3ccccc3C2)c1 ZINC000456009289 560504316 /nfs/dbraw/zinc/50/43/16/560504316.db2.gz SNPZGMARLFTURA-FQEVSTJZSA-N 1 0 364.449 2.407 20 30 FEEDRO Cc1cc(C(=O)NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)ncc1C#N ZINC000457692674 560582104 /nfs/dbraw/zinc/58/21/04/560582104.db2.gz GWTBBJYZVODOFQ-IBGZPJMESA-N 1 0 364.449 2.148 20 30 FEEDRO CN(CC(C)(C)C#N)C(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000457707179 560582886 /nfs/dbraw/zinc/58/28/86/560582886.db2.gz AMQLKQRVVYYJDH-UHFFFAOYSA-N 1 0 371.529 2.385 20 30 FEEDRO C[NH+](C)CC(C)(C)NC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000458365852 560617331 /nfs/dbraw/zinc/61/73/31/560617331.db2.gz KWHZTIWXKLCKRQ-OAHLLOKOSA-N 1 0 361.465 2.306 20 30 FEEDRO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC000458734777 560644564 /nfs/dbraw/zinc/64/45/64/560644564.db2.gz MTTXLPWWHMCUPO-BSLJZLGVSA-N 1 0 365.518 2.251 20 30 FEEDRO C=CC[C@@H](CO)CNC(=O)NC[C@@H](c1ccc(SC)cc1)[NH+](C)C ZINC000458878921 560653642 /nfs/dbraw/zinc/65/36/42/560653642.db2.gz BULUXJIBPGSLNL-PBHICJAKSA-N 1 0 351.516 2.495 20 30 FEEDRO CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@H]1CC[C@@H](CC#N)C1 ZINC000459005234 560661264 /nfs/dbraw/zinc/66/12/64/560661264.db2.gz HLSBZUKAVCCPOI-CUWPLCDZSA-N 1 0 370.497 2.347 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1NC(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1 ZINC000459033690 560662972 /nfs/dbraw/zinc/66/29/72/560662972.db2.gz RSYDGEXKCCXNEN-SJORKVTESA-N 1 0 353.413 2.382 20 30 FEEDRO C=C(C)CN(C)C(=O)C(=O)N(CC[NH+](CC)CC)Cc1cccs1 ZINC000459878671 560715795 /nfs/dbraw/zinc/71/57/95/560715795.db2.gz WBCLDZXOKCPZNN-UHFFFAOYSA-N 1 0 351.516 2.453 20 30 FEEDRO CC[NH+](CC)CCN(CC(C)C)C(=O)C(=O)N(C)Cc1ccc(C#N)cc1 ZINC000459993326 560727180 /nfs/dbraw/zinc/72/71/80/560727180.db2.gz SKUCJVCJTLYNAU-UHFFFAOYSA-N 1 0 372.513 2.343 20 30 FEEDRO N#C[C@H]1CCC[C@@H]1NC(=O)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000461777666 560782831 /nfs/dbraw/zinc/78/28/31/560782831.db2.gz NJIKDQOHYJQVTG-MJGOQNOKSA-N 1 0 368.481 2.462 20 30 FEEDRO COc1ccc([C@H](CNC(=O)N[C@@H]2CCC[C@H]2C#N)[NH+](C)C)cc1OC ZINC000461936804 560788747 /nfs/dbraw/zinc/78/87/47/560788747.db2.gz AWFODCSEOBHYBA-XHSDSOJGSA-N 1 0 360.458 2.298 20 30 FEEDRO CC[NH+]1CCN(CC(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)CC1 ZINC000462010478 560792494 /nfs/dbraw/zinc/79/24/94/560792494.db2.gz FKLRUQTVVKFNHY-CQSZACIVSA-N 1 0 355.269 2.312 20 30 FEEDRO C[C@@H]1CN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)C[C@H]1[NH+](C)C ZINC000465181737 560859779 /nfs/dbraw/zinc/85/97/79/560859779.db2.gz DWMHTZXCXIKYMU-IDHHARJASA-N 1 0 373.476 2.258 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@H](C(=O)OC)[C@@H]1C)C(C)C ZINC000468434049 560929892 /nfs/dbraw/zinc/92/98/92/560929892.db2.gz CHOAOTDYPYMELI-YESZJQIVSA-N 1 0 351.491 2.278 20 30 FEEDRO COc1cc([C@H](C#N)NC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)cc(OC)c1OC ZINC000468945799 560943026 /nfs/dbraw/zinc/94/30/26/560943026.db2.gz ISYHYXBCYLKTOF-YDHLFZDLSA-N 1 0 361.442 2.266 20 30 FEEDRO N#Cc1cc(C(=O)N[C@@H](Cc2ccccc2)CN2CCOCC2)ccc1F ZINC000469667499 560961245 /nfs/dbraw/zinc/96/12/45/560961245.db2.gz PYBQINSJFRRFIC-IBGZPJMESA-N 1 0 367.424 2.371 20 30 FEEDRO N#CCCCn1cc(C(=O)NCC[N@@H+]2CCCOCC2)c2ccccc21 ZINC000469834536 560965930 /nfs/dbraw/zinc/96/59/30/560965930.db2.gz PNIBDUKSXMPCJB-UHFFFAOYSA-N 1 0 354.454 2.397 20 30 FEEDRO COC(=O)[C@@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)[C@H]1C ZINC000469998849 560971350 /nfs/dbraw/zinc/97/13/50/560971350.db2.gz HVHJGAIMBUUTPC-NWDGAFQWSA-N 1 0 361.467 2.320 20 30 FEEDRO C=CCOCCC[N@@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3cnccn3)no2)C1 ZINC000470868592 560992378 /nfs/dbraw/zinc/99/23/78/560992378.db2.gz OANZMPBBRHMPPR-DNVCBOLYSA-N 1 0 355.442 2.473 20 30 FEEDRO CC(C)OCC[NH+]1CCC(NC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)CC1 ZINC000472256177 561022059 /nfs/dbraw/zinc/02/20/59/561022059.db2.gz FUQORAXHRBLOTI-LJQANCHMSA-N 1 0 368.481 2.246 20 30 FEEDRO C=CCOc1cccc(NC(=O)C(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)c1 ZINC000473296417 561046934 /nfs/dbraw/zinc/04/69/34/561046934.db2.gz ZYPVVNJWNFQLKK-KRWDZBQOSA-N 1 0 371.481 2.380 20 30 FEEDRO C=C(C)COCCNC(=O)N1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000475069671 561089475 /nfs/dbraw/zinc/08/94/75/561089475.db2.gz ZRAISIZDBMZZCQ-UHFFFAOYSA-N 1 0 374.529 2.038 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cnn(CCO)c2-c2ccccc2)CC1 ZINC000475640764 561101378 /nfs/dbraw/zinc/10/13/78/561101378.db2.gz IIEVUQBSAGMLOX-UHFFFAOYSA-N 1 0 368.481 2.313 20 30 FEEDRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N(Cc1ccc(C#N)cc1)C(C)C ZINC000477083395 561136165 /nfs/dbraw/zinc/13/61/65/561136165.db2.gz PLANUIOFRFRJLE-MRXNPFEDSA-N 1 0 358.486 2.142 20 30 FEEDRO C[C@H]1CCC[C@@](CNC(=O)C(=O)N(C)Cc2cccc(C#N)c2)([NH+](C)C)C1 ZINC000477223128 561139682 /nfs/dbraw/zinc/13/96/82/561139682.db2.gz VQDSDRFHDNHCOJ-HRAATJIYSA-N 1 0 370.497 2.143 20 30 FEEDRO CO[C@H](Cc1ccc(F)cc1)C[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000528351439 562324190 /nfs/dbraw/zinc/32/41/90/562324190.db2.gz OHFUIBYBKQXXAH-LJQANCHMSA-N 1 0 354.429 2.472 20 30 FEEDRO CC[N@@H+]1CC[C@H](N(C)CC#CCN2C(=O)c3ccccc3C2=O)C[C@H]1C ZINC000528399347 562326946 /nfs/dbraw/zinc/32/69/46/562326946.db2.gz VVWVPUYUAXVJRG-SJORKVTESA-N 1 0 353.466 2.091 20 30 FEEDRO CC(C)n1cnnc1[C@@H]1CCC[N@H+](C[C@@H](O)COc2ccccc2C#N)C1 ZINC000528422934 562328478 /nfs/dbraw/zinc/32/84/78/562328478.db2.gz GRJLHPQQOPLICB-QZTJIDSGSA-N 1 0 369.469 2.350 20 30 FEEDRO Cc1noc(C2(C)CC[NH+](C[C@@H](O)COc3ccccc3C#N)CC2)n1 ZINC000528444934 562329695 /nfs/dbraw/zinc/32/96/95/562329695.db2.gz ZNEVUALYVFBGGA-MRXNPFEDSA-N 1 0 356.426 2.043 20 30 FEEDRO Cc1cccc(CC(=O)NC2(C#N)CC[NH+](C)CC2)c1Br ZINC000528455708 562330335 /nfs/dbraw/zinc/33/03/35/562330335.db2.gz JWGQMJAGKGVLPA-UHFFFAOYSA-N 1 0 350.260 2.404 20 30 FEEDRO C[C@@H](O)C[C@@H]1CCCCC[N@@H+]1CC#CCN1C(=O)c2ccccc2C1=O ZINC000528504076 562332908 /nfs/dbraw/zinc/33/29/08/562332908.db2.gz GNJMKTBULBMAQQ-SJORKVTESA-N 1 0 354.450 2.302 20 30 FEEDRO COC1(C(F)(F)F)CC[NH+](C[C@H](O)COc2ccccc2C#N)CC1 ZINC000528526274 562334086 /nfs/dbraw/zinc/33/40/86/562334086.db2.gz YLPPGDIHWVHRDP-AWEZNQCLSA-N 1 0 358.360 2.341 20 30 FEEDRO O=C1c2ccccc2C(=O)N1CC#CC[N@@H+]1CCC[C@@H]1[C@H]1CCCOC1 ZINC000528534676 562334752 /nfs/dbraw/zinc/33/47/52/562334752.db2.gz CZMUMGVZXVZRNJ-QFBILLFUSA-N 1 0 352.434 2.177 20 30 FEEDRO N#Cc1ccccc1OC[C@H](O)CN1CCC[C@](C#N)(c2ccccn2)C1 ZINC000528548609 562335517 /nfs/dbraw/zinc/33/55/17/562335517.db2.gz JOCFIUHMMMNCGD-WIYYLYMNSA-N 1 0 362.433 2.250 20 30 FEEDRO COc1cc(C#N)ccc1NC(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000528690877 562342307 /nfs/dbraw/zinc/34/23/07/562342307.db2.gz UDBKZWOQADLBDB-INIZCTEOSA-N 1 0 358.442 2.189 20 30 FEEDRO Cc1nn(C)c(C)c1NC(=O)C[NH2+]C1(c2ccc(C#N)cc2)CCOCC1 ZINC000528781101 562347166 /nfs/dbraw/zinc/34/71/66/562347166.db2.gz DZAPQTJHQDHXAZ-UHFFFAOYSA-N 1 0 367.453 2.143 20 30 FEEDRO C[C@H](NC(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1)c1ccc(C#N)cc1 ZINC000529297705 562367796 /nfs/dbraw/zinc/36/77/96/562367796.db2.gz PTCVFWHYYNJINE-KXBFYZLASA-N 1 0 356.470 2.419 20 30 FEEDRO N#Cc1ccccc1OC[C@@H](O)C[NH2+][C@@H]1CCCN(c2ccccc2)C1=O ZINC000530230186 562403035 /nfs/dbraw/zinc/40/30/35/562403035.db2.gz FDHFHJFTGCHTQD-RBUKOAKNSA-N 1 0 365.433 2.083 20 30 FEEDRO N#Cc1ccccc1OC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)C2CCCCC2)C1 ZINC000530232855 562403269 /nfs/dbraw/zinc/40/32/69/562403269.db2.gz TYFKNYCNDJIRRS-MOPGFXCFSA-N 1 0 371.481 2.069 20 30 FEEDRO N#Cc1ccccc1OC[C@H](O)C[NH2+][C@@H]1CCO[C@@H](c2ccncc2)C1 ZINC000530233102 562403302 /nfs/dbraw/zinc/40/33/02/562403302.db2.gz HKNQTDAWBJWPNL-QWFCFKBJSA-N 1 0 353.422 2.203 20 30 FEEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)NCC[N@@H+]1CC[C@H](C)C1 ZINC000531283689 562440618 /nfs/dbraw/zinc/44/06/18/562440618.db2.gz KDVXVODOYICVAK-LSDHHAIUSA-N 1 0 374.510 2.335 20 30 FEEDRO CC1CC(C#N)(C(=O)N2CCN(c3ccccc3OCC[NH+](C)C)CC2)C1 ZINC000531569134 562450271 /nfs/dbraw/zinc/45/02/71/562450271.db2.gz QSVJKLKETKOCOS-UHFFFAOYSA-N 1 0 370.497 2.215 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cccc3ccncc32)CC1 ZINC000531787157 562456633 /nfs/dbraw/zinc/45/66/33/562456633.db2.gz LRGWRMIYKOJBLY-UHFFFAOYSA-N 1 0 352.438 2.330 20 30 FEEDRO CC(C)C[N@@H+]1CCCC[C@H]1CNS(=O)(=O)c1ccc(C#N)cc1F ZINC000533038951 562496508 /nfs/dbraw/zinc/49/65/08/562496508.db2.gz WJGAJSLFPBMYKE-HNNXBMFYSA-N 1 0 353.463 2.486 20 30 FEEDRO C[C@H]1CC[N@H+](CCNS(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)C1 ZINC000533094549 562498086 /nfs/dbraw/zinc/49/80/86/562498086.db2.gz CBAVLCVZDAQCAW-NSHDSACASA-N 1 0 361.389 2.197 20 30 FEEDRO C[C@H](C(=O)N(C)C[C@H]1COc2ccccc2O1)[NH+]1CCC(CC#N)CC1 ZINC000541025132 562600729 /nfs/dbraw/zinc/60/07/29/562600729.db2.gz TYASRWSESMIAEW-WBVHZDCISA-N 1 0 357.454 2.299 20 30 FEEDRO N#CCC1CCN(C(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)CC1 ZINC000541967082 562624644 /nfs/dbraw/zinc/62/46/44/562624644.db2.gz LVCKEFOYJNRFKE-UHFFFAOYSA-N 1 0 370.497 2.479 20 30 FEEDRO Cc1c2cc(C#N)ccc2sc1C(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000555937083 674381821 /nfs/dbraw/zinc/38/18/21/674381821.db2.gz BBVYOIRVBQMUQR-CYBMUJFWSA-N 1 0 356.495 2.447 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1CCSC[C@@H](C)C1)C(C)C ZINC000556206495 674392182 /nfs/dbraw/zinc/39/21/82/674392182.db2.gz LBWBMJUTSGGSOM-DLBZAZTESA-N 1 0 367.559 2.013 20 30 FEEDRO COc1ccc(CC[NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)cc1O ZINC000601973643 567891563 /nfs/dbraw/zinc/89/15/63/567891563.db2.gz SRXHUICQFWFZHD-QGZVFWFLSA-N 1 0 356.422 2.039 20 30 FEEDRO C=CCNC(=O)[C@H](C)Sc1nnc(CC[NH+]2CCCCC2)n1CC=C ZINC000601983795 567896151 /nfs/dbraw/zinc/89/61/51/567896151.db2.gz WAXMWTRPWPYPPS-HNNXBMFYSA-N 1 0 363.531 2.275 20 30 FEEDRO CN(C(=O)c1ccc2[nH]c(=O)n(CC[NH+](C)C)c2c1)[C@H]1CCC[C@@H]1C#N ZINC000602196607 567950183 /nfs/dbraw/zinc/95/01/83/567950183.db2.gz PKUOOPYTGLFMAG-ZBFHGGJFSA-N 1 0 355.442 2.068 20 30 FEEDRO C[C@@H]1C[N@H+](CCCNC(=O)N2CCc3c(CC#N)cccc3C2)CCCO1 ZINC000602303605 567965074 /nfs/dbraw/zinc/96/50/74/567965074.db2.gz WBHMWABLERBZEP-QGZVFWFLSA-N 1 0 370.497 2.321 20 30 FEEDRO Cc1ccc(Cl)c(OC[C@H](O)C[N@@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)c1 ZINC000602853890 568001936 /nfs/dbraw/zinc/00/19/36/568001936.db2.gz MOYFUOUTIYWMIY-OWCLPIDISA-N 1 0 351.878 2.306 20 30 FEEDRO C/C=C/c1ccc(OC[C@H](O)C[N@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)c(OC)c1 ZINC000602854904 568002048 /nfs/dbraw/zinc/00/20/48/568002048.db2.gz DQIHZHGWWJYLCD-GTWCRQPWSA-N 1 0 373.497 2.386 20 30 FEEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@H]1CN(C)CCN1Cc1ccccc1 ZINC000602722082 568023067 /nfs/dbraw/zinc/02/30/67/568023067.db2.gz LZIXBFCYABXRNO-FPOVZHCZSA-N 1 0 370.541 2.491 20 30 FEEDRO CO[C@H]1CN(CC(=O)N(CCC#N)c2cccc(Cl)c2)[C@@](C)(CO)C1 ZINC000602964495 568023901 /nfs/dbraw/zinc/02/39/01/568023901.db2.gz QMBSTAMZWJYNQH-SJLPKXTDSA-N 1 0 365.861 2.058 20 30 FEEDRO N#CC1(C(=O)Nc2ccc3[nH]c(N4CCOCC4)nc3c2)CC2(CC2)C1 ZINC000602793962 568034674 /nfs/dbraw/zinc/03/46/74/568034674.db2.gz UPAURCSGMJCXEB-UHFFFAOYSA-N 1 0 351.410 2.422 20 30 FEEDRO CN(CC(=O)NCc1ccc(C(=O)N2CCCC2)cc1)[C@@H]1CCC[C@H]1C#N ZINC000602975381 568035852 /nfs/dbraw/zinc/03/58/52/568035852.db2.gz AETOOMGBNMPNOO-RBUKOAKNSA-N 1 0 368.481 2.163 20 30 FEEDRO Cc1cc(N(CCC#N)C(=O)Cn2cc(C[NH2+]C3CC3)nn2)ccc1Cl ZINC000603190538 568072004 /nfs/dbraw/zinc/07/20/04/568072004.db2.gz OYRVGWYLEXJIOT-UHFFFAOYSA-N 1 0 372.860 2.439 20 30 FEEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+]CCCc2nc3ccccc3[nH]2)c1 ZINC000568621155 568099779 /nfs/dbraw/zinc/09/97/79/568099779.db2.gz MZCGWRBZQGEEHU-UHFFFAOYSA-N 1 0 368.462 2.431 20 30 FEEDRO C[NH+]1CCC(C#N)(NC(=O)CCCc2nnc(-c3ccccc3)o2)CC1 ZINC000603641703 568129495 /nfs/dbraw/zinc/12/94/95/568129495.db2.gz QQFHLVBVASZQOG-UHFFFAOYSA-N 1 0 353.426 2.163 20 30 FEEDRO N#Cc1ccccc1N1CCCN(C(=O)NCc2ccc(C[NH3+])cc2)CC1 ZINC000568998170 568265589 /nfs/dbraw/zinc/26/55/89/568265589.db2.gz XAWUNCMOHHBBJK-UHFFFAOYSA-N 1 0 363.465 2.439 20 30 FEEDRO C=CC[N@@H+](Cc1cccc(C(=O)NC)c1)Cc1cccc(-c2nn[nH]n2)c1 ZINC000735426275 598870411 /nfs/dbraw/zinc/87/04/11/598870411.db2.gz OCWYWOXXBLHNAJ-UHFFFAOYSA-N 1 0 362.437 2.415 20 30 FEEDRO N#Cc1ncc(NC(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)cc1Cl ZINC000556666673 674411241 /nfs/dbraw/zinc/41/12/41/674411241.db2.gz AHTURKGNIHSQPC-LBPRGKRZSA-N 1 0 363.849 2.229 20 30 FEEDRO C#C[C@@H](NC(=O)CCN1CCN(C(=O)OC(C)(C)C)CC1)C(C)(C)C ZINC000807878686 674433025 /nfs/dbraw/zinc/43/30/25/674433025.db2.gz YPIJOJHDPAVOTB-OAHLLOKOSA-N 1 0 351.491 2.093 20 30 FEEDRO CC[N@H+](CCC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)C[C@H](C)C#N ZINC000736535955 598760288 /nfs/dbraw/zinc/76/02/88/598760288.db2.gz ZLLRMAAYZGEUPU-LLVKDONJSA-N 1 0 361.837 2.330 20 30 FEEDRO C[C@H](c1ccc(C#N)cc1)[NH+]1CCN(c2ncccc2-c2nn[nH]n2)CC1 ZINC000736197628 599307666 /nfs/dbraw/zinc/30/76/66/599307666.db2.gz BMZFICAKFSSRHM-CQSZACIVSA-N 1 0 360.425 2.017 20 30 FEEDRO C[C@@H]([NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1)C(=O)Nc1ccccc1C#N ZINC000820410053 599389740 /nfs/dbraw/zinc/38/97/40/599389740.db2.gz CLDXEOWUINGQKG-QWHCGFSZSA-N 1 0 361.409 2.416 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)Nc2ncc(OC)cc2Br)CC1 ZINC000809276694 674489739 /nfs/dbraw/zinc/48/97/39/674489739.db2.gz XOHVLGKZVLJXKT-UHFFFAOYSA-N 1 0 352.232 2.136 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H](C)c2ncc(Br)cn2)CC1 ZINC000559377084 674540535 /nfs/dbraw/zinc/54/05/35/674540535.db2.gz GXNRGOXQKCXEKF-NSHDSACASA-N 1 0 368.279 2.250 20 30 FEEDRO C[C@@H]([NH2+]CCC(=O)Nc1ccc(C#N)cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824584624 608464165 /nfs/dbraw/zinc/46/41/65/608464165.db2.gz CUAZITSSBLNBLC-CYBMUJFWSA-N 1 0 361.409 2.418 20 30 FEEDRO Cc1oc(NC(=O)C[NH2+][C@H](C)c2cccc(C#N)c2)c(-c2nn[nH]n2)c1C ZINC000826341781 608486485 /nfs/dbraw/zinc/48/64/85/608486485.db2.gz PUTPIWIAIVWBCX-LLVKDONJSA-N 1 0 365.397 2.238 20 30 FEEDRO N#Cc1ccc(C[NH2+]C2CCC(Oc3ccc(-c4nn[nH]n4)cn3)CC2)o1 ZINC000826384786 608570611 /nfs/dbraw/zinc/57/06/11/608570611.db2.gz JSYAZBOVONDDLZ-UHFFFAOYSA-N 1 0 365.397 2.206 20 30 FEEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(-c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000823850954 609449718 /nfs/dbraw/zinc/44/97/18/609449718.db2.gz WELHTVXCSQOISN-GJZGRUSLSA-N 1 0 374.448 2.322 20 30 FEEDRO FC(F)(F)CC[NH+]1CCC(=NNCc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826367856 609518125 /nfs/dbraw/zinc/51/81/25/609518125.db2.gz RAUXBOHVGHZYGJ-UHFFFAOYSA-N 1 0 367.379 2.361 20 30 FEEDRO C#C[C@@H](NC1CC[NH+](CCN2CCOCC2)CC1)c1ccc(Cl)cc1 ZINC000811516316 674610683 /nfs/dbraw/zinc/61/06/83/674610683.db2.gz KOQUARCOVVUENI-HXUWFJFHSA-N 1 0 361.917 2.401 20 30 FEEDRO CSC1(CNC(=O)NCc2ccc(OCC#N)cc2)CC[NH+](C)CC1 ZINC000811873478 674634443 /nfs/dbraw/zinc/63/44/43/674634443.db2.gz SKCBDNJSMALFFK-UHFFFAOYSA-N 1 0 362.499 2.216 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N(C)Cc2cc(Cl)ccc2F)CC1 ZINC000561413429 674663580 /nfs/dbraw/zinc/66/35/80/674663580.db2.gz LWCAZUUORCGVTH-UHFFFAOYSA-N 1 0 367.852 2.204 20 30 FEEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1S[C@@H](C)c1nncn1C ZINC000561439752 674666745 /nfs/dbraw/zinc/66/67/45/674666745.db2.gz AILSJXFVNXVLJK-AWEZNQCLSA-N 1 0 361.519 2.474 20 30 FEEDRO C[NH+](C)[C@H](CNC(=O)C(=O)NCC(C)(C)CC#N)c1ccc(Cl)cc1 ZINC000562953148 674826660 /nfs/dbraw/zinc/82/66/60/674826660.db2.gz RZDPEQFPXGVCHQ-OAHLLOKOSA-N 1 0 364.877 2.115 20 30 FEEDRO C[C@@H]1CCC[C@@H](NC(=S)NN=C2CC[NH+](CC(C)(C)O)CC2)[C@@H]1C ZINC000814215214 674826808 /nfs/dbraw/zinc/82/68/08/674826808.db2.gz MQFXFZREXJDLBI-IIAWOOMASA-N 1 0 354.564 2.498 20 30 FEEDRO Cc1nocc1C=NNC(=S)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000814726814 674876377 /nfs/dbraw/zinc/87/63/77/674876377.db2.gz CYZLWSVRVFDOOK-UHFFFAOYSA-N 1 0 357.483 2.446 20 30 FEEDRO C[NH+](C)CCCNC(=S)NN=Cc1ccc2ccc(F)c(F)c2n1 ZINC000814845456 674883593 /nfs/dbraw/zinc/88/35/93/674883593.db2.gz MBSYREVYBCSBFY-UHFFFAOYSA-N 1 0 351.426 2.263 20 30 FEEDRO CC(=NNS(=O)(=O)c1ccc(F)cc1)c1ccc2c(c1)CC[NH2+]CC2 ZINC000814875343 674885905 /nfs/dbraw/zinc/88/59/05/674885905.db2.gz CUWPAYOVMUYSKH-UHFFFAOYSA-N 1 0 361.442 2.216 20 30 FEEDRO N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)NCC[C@H]2CCC[NH2+]2)n1 ZINC000563490129 674895678 /nfs/dbraw/zinc/89/56/78/674895678.db2.gz DVTMVNOTOYVIKR-CQSZACIVSA-N 1 0 358.833 2.661 20 30 FEEDRO CC(C)[C@@H]1C[C@H](C[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)CCO1 ZINC000564076939 674970608 /nfs/dbraw/zinc/97/06/08/674970608.db2.gz UGAARLLSSHJZMC-AEFFLSMTSA-N 1 0 350.484 2.373 20 30 FEEDRO N#Cc1csc(CNc2ccccc2C[N@H+]2CCC[C@H](C(N)=O)C2)n1 ZINC000564410726 675012034 /nfs/dbraw/zinc/01/20/34/675012034.db2.gz CKYSNFAKGQSUDV-AWEZNQCLSA-N 1 0 355.467 2.324 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3nc(C)c(C)s3)C[C@@H]2C1 ZINC001049068661 675022281 /nfs/dbraw/zinc/02/22/81/675022281.db2.gz YJWUUCVYVMUCJU-TWMKSMIVSA-N 1 0 361.511 2.241 20 30 FEEDRO CNC(=S)C(C(=O)c1[nH]c(C)c(C(=O)OC)c1C)[n+]1cccc(C)c1 ZINC000022734386 670043215 /nfs/dbraw/zinc/04/32/15/670043215.db2.gz RXFDLDFPJKIYOR-UHFFFAOYSA-O 1 0 360.459 2.172 20 30 FEEDRO C[NH+]=C(NCc1scnc1C)N1CCN(c2ccccc2OC)CC1 ZINC000072696468 670497135 /nfs/dbraw/zinc/49/71/35/670497135.db2.gz GECXCHAFVZASOZ-UHFFFAOYSA-N 1 0 359.499 2.358 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H](O)c2c(F)cccc2F)CC1 ZINC000077566981 670567180 /nfs/dbraw/zinc/56/71/80/670567180.db2.gz XVJQMYVJTSMVCM-MRXNPFEDSA-N 1 0 353.413 2.338 20 30 FEEDRO CN(CCC#N)C[C@H](O)C[NH2+]CC1(c2cccc(Cl)c2)CCOCC1 ZINC000565409027 675118965 /nfs/dbraw/zinc/11/89/65/675118965.db2.gz CZWIIKHRFJBFJI-GOSISDBHSA-N 1 0 365.905 2.184 20 30 FEEDRO N#CCc1ccc(CS(=O)(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000569718968 670602738 /nfs/dbraw/zinc/60/27/38/670602738.db2.gz LEEKJSZPYHZKIV-LJQANCHMSA-N 1 0 361.511 2.390 20 30 FEEDRO C[NH+]=C(NCc1cc(Br)cs1)N[C@@H]1CCN(C2CC2)C1 ZINC000083167462 670655680 /nfs/dbraw/zinc/65/56/80/670655680.db2.gz PBRVWKKLOPMLJP-LLVKDONJSA-N 1 0 357.321 2.412 20 30 FEEDRO C#CCOc1ccc(Br)cc1C[NH2+]CC1(CC(N)=O)CC1 ZINC000817411515 675130326 /nfs/dbraw/zinc/13/03/26/675130326.db2.gz STOTWEJXMJHGKV-UHFFFAOYSA-N 1 0 351.244 2.206 20 30 FEEDRO C[NH+]=C(NCCOc1ccc(F)cc1F)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000085683731 670681852 /nfs/dbraw/zinc/68/18/52/670681852.db2.gz WSOVEHSPKGALOB-MAZHCROVSA-N 1 0 353.413 2.322 20 30 FEEDRO C[C@@H]1CC[N@H+](CC(=O)N2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)C1 ZINC000570739124 670761770 /nfs/dbraw/zinc/76/17/70/670761770.db2.gz QWCYZKBDYGTJES-QAPCUYQASA-N 1 0 360.889 2.391 20 30 FEEDRO COc1ccc(NC(=O)CON=C(N)C[NH+]2CCCCCC2)cc1Cl ZINC000106437772 670812278 /nfs/dbraw/zinc/81/22/78/670812278.db2.gz FNFGZKXJYYAZOU-UHFFFAOYSA-N 1 0 368.865 2.452 20 30 FEEDRO COC[C@@H](Cc1ccccc1)[NH2+]CCS(=O)(=O)c1cccc(C#N)c1 ZINC000565712180 675145484 /nfs/dbraw/zinc/14/54/84/675145484.db2.gz NGHBGMJIPCQRMD-GOSISDBHSA-N 1 0 358.463 2.179 20 30 FEEDRO N#Cc1ccc(C[NH2+]CCCN2CCC[C@H]2C(N)=O)c(C(F)(F)F)c1 ZINC000572171064 670969873 /nfs/dbraw/zinc/96/98/73/670969873.db2.gz WPIZANHVCMPXMA-HNNXBMFYSA-N 1 0 354.376 2.006 20 30 FEEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)S(=O)(=O)CC[NH+](CC)CC ZINC000573291664 671104053 /nfs/dbraw/zinc/10/40/53/671104053.db2.gz YZNGCTWDBKDXHK-UHFFFAOYSA-N 1 0 355.460 2.254 20 30 FEEDRO CO[C@@](C)(C[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)c1ccccc1 ZINC000566120940 675183496 /nfs/dbraw/zinc/18/34/96/675183496.db2.gz ZNIVJFRQLZMUAU-IBGZPJMESA-N 1 0 358.463 2.483 20 30 FEEDRO N#Cc1ccc(NC(=O)CC[NH+]2CCN(c3ncc[nH]3)CC2)cc1Cl ZINC000575999516 671337262 /nfs/dbraw/zinc/33/72/62/671337262.db2.gz IQPZZDRUADLMGM-UHFFFAOYSA-N 1 0 358.833 2.086 20 30 FEEDRO C[C@@H](CNc1nc2c(cc1C#N)COCC2)[N@@H+]1CCc2sccc2C1 ZINC000576075019 671342134 /nfs/dbraw/zinc/34/21/34/671342134.db2.gz WTJUVHTXNDXVSK-ZDUSSCGKSA-N 1 0 354.479 2.946 20 30 FEEDRO N#CCc1ccc(OC[C@@H](O)C[NH2+][C@@H](CO)c2ccc(Cl)cc2)cc1 ZINC000577292569 671585712 /nfs/dbraw/zinc/58/57/12/671585712.db2.gz JJHFPCKWVGXYGX-HKUYNNGSSA-N 1 0 360.841 2.469 20 30 FEEDRO N#CCN1CCC([NH2+]Cc2cc3c(cc2Br)OCO3)CC1 ZINC000609334992 675918844 /nfs/dbraw/zinc/91/88/44/675918844.db2.gz OITNGARXMGDXJH-UHFFFAOYSA-N 1 0 352.232 2.255 20 30 FEEDRO C=CCCCCCNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000578081434 671639149 /nfs/dbraw/zinc/63/91/49/671639149.db2.gz VAPUXXUEPYXPFM-ALOPSCKCSA-N 1 0 350.507 2.116 20 30 FEEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+]CC2(CCO)CCCCC2)c1 ZINC000579231369 671721138 /nfs/dbraw/zinc/72/11/38/671721138.db2.gz CHQCWQJZCYFIGA-UHFFFAOYSA-N 1 0 350.484 2.254 20 30 FEEDRO CC(C)(C[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)c1ccccc1F ZINC000579343841 671728778 /nfs/dbraw/zinc/72/87/78/671728778.db2.gz MNEZMIWUCROTNE-UHFFFAOYSA-N 1 0 361.442 2.433 20 30 FEEDRO N#Cc1ccc(OC[C@@H](O)C[NH2+]C[C@@H](CO)c2ccccc2Cl)cc1 ZINC000581824225 671938629 /nfs/dbraw/zinc/93/86/29/671938629.db2.gz CGXNSRULKAICBG-HOTGVXAUSA-N 1 0 360.841 2.317 20 30 FEEDRO C#CCSCCNC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F ZINC000121482844 671950553 /nfs/dbraw/zinc/95/05/53/671950553.db2.gz OJJWDRGXCHVVQL-UHFFFAOYSA-N 1 0 355.454 2.404 20 30 FEEDRO N#Cc1cncnc1NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000582722710 672028624 /nfs/dbraw/zinc/02/86/24/672028624.db2.gz QTIUVWISIBXQIK-UHFFFAOYSA-N 1 0 356.861 2.048 20 30 FEEDRO COC1([C@@H](C)[NH2+]CC(=O)Nc2sc(C)c(C)c2C#N)CCOCC1 ZINC000582778995 672033297 /nfs/dbraw/zinc/03/32/97/672033297.db2.gz QFAUDEGBJPNFEY-CYBMUJFWSA-N 1 0 351.472 2.349 20 30 FEEDRO COC(=O)[C@H]1CN(c2cc(Br)c(C#N)cc2F)CC[N@H+](C)C1 ZINC000583153783 672068480 /nfs/dbraw/zinc/06/84/80/672068480.db2.gz SEUXFMWVJUBQRT-LLVKDONJSA-N 1 0 370.222 2.001 20 30 FEEDRO CCO[C@@H]1C[C@@H]([NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)C1(CC)CC ZINC000584017537 672147810 /nfs/dbraw/zinc/14/78/10/672147810.db2.gz WKLKXMGSBQWGQQ-HZPDHXFCSA-N 1 0 365.499 2.300 20 30 FEEDRO C[NH+]=C(NCc1ccc(Br)s1)N1CCC[C@H](CC(N)=O)C1 ZINC000153682427 672202995 /nfs/dbraw/zinc/20/29/95/672202995.db2.gz LMRGYLSQROFWLA-SNVBAGLBSA-N 1 0 373.320 2.173 20 30 FEEDRO C#CCOc1ccc(C[NH2+]CCN(C)S(=O)(=O)c2cccs2)cc1 ZINC000158320871 672268320 /nfs/dbraw/zinc/26/83/20/672268320.db2.gz LKPCZOYBWLLINV-UHFFFAOYSA-N 1 0 364.492 2.170 20 30 FEEDRO CC[NH+]=C(NC[C@@](C)(O)c1ccco1)N1CCN(c2cccs2)CC1 ZINC000158918368 672274678 /nfs/dbraw/zinc/27/46/78/672274678.db2.gz LWWGVHYNTZOUBE-GOSISDBHSA-N 1 0 362.499 2.336 20 30 FEEDRO CC[NH+]=C(NC[C@](C)(O)c1ccco1)N1CCN(c2cccs2)CC1 ZINC000158918229 672274884 /nfs/dbraw/zinc/27/48/84/672274884.db2.gz LWWGVHYNTZOUBE-SFHVURJKSA-N 1 0 362.499 2.336 20 30 FEEDRO CC[NH+]=C(NCC1(O)CCCC1)N[C@@H]1CCN(c2ncccc2Cl)C1 ZINC000158966710 672275476 /nfs/dbraw/zinc/27/54/76/672275476.db2.gz BBKIBWCWJQFIQW-CQSZACIVSA-N 1 0 365.909 2.174 20 30 FEEDRO [NH2+]=C(NCc1nnc(-c2ccc(Br)cc2)[nH]1)NCC1CCC1 ZINC000170914687 672327084 /nfs/dbraw/zinc/32/70/84/672327084.db2.gz MGIDXWJSFQKAEK-UHFFFAOYSA-N 1 0 363.263 2.439 20 30 FEEDRO C=C(Br)CNC(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000174375988 672360570 /nfs/dbraw/zinc/36/05/70/672360570.db2.gz SEWPSGHWFOLIBV-UHFFFAOYSA-N 1 0 360.296 2.181 20 30 FEEDRO N#Cc1cccc(C(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)n1 ZINC000589459598 672527144 /nfs/dbraw/zinc/52/71/44/672527144.db2.gz BPROCUGGVWKLMZ-UHFFFAOYSA-N 1 0 352.360 2.488 20 30 FEEDRO N#CCCN1CC[NH+](CCC(=O)Nc2ccc(Br)cc2)CC1 ZINC000591020558 672642207 /nfs/dbraw/zinc/64/22/07/672642207.db2.gz NZPZKSDBEDARAH-UHFFFAOYSA-N 1 0 365.275 2.309 20 30 FEEDRO CC(C)(C)c1csc(NC(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)c1C#N ZINC000591304337 672667541 /nfs/dbraw/zinc/66/75/41/672667541.db2.gz DIMFJZHEPDWUAS-SMDDNHRTSA-N 1 0 360.483 2.066 20 30 FEEDRO CCCS(=O)(=O)N1CCC([NH2+][C@H](C)c2ccc(OCC#N)cc2)CC1 ZINC000193022939 672709739 /nfs/dbraw/zinc/70/97/39/672709739.db2.gz JZXGASWXDRMRBT-OAHLLOKOSA-N 1 0 365.499 2.444 20 30 FEEDRO C[NH+](C)[C@@H](CNC(=O)N1CC[C@](O)(CC#N)C1)c1ccc(Cl)cc1 ZINC000591970965 672728172 /nfs/dbraw/zinc/72/81/72/672728172.db2.gz DRQZMQYNLZKWRF-DOTOQJQBSA-N 1 0 350.850 2.003 20 30 FEEDRO CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)C2CC[NH+](C)CC2)C1=O ZINC000194361747 672757908 /nfs/dbraw/zinc/75/79/08/672757908.db2.gz SFOOZAGDVSOZCN-GOSISDBHSA-N 1 0 352.479 2.030 20 30 FEEDRO CC(C)[C@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)C1(CO)CC=CC1 ZINC000592177348 672767615 /nfs/dbraw/zinc/76/76/15/672767615.db2.gz ZWUJQFZPLLFXSJ-SFHVURJKSA-N 1 0 362.495 2.275 20 30 FEEDRO COc1cc(C#N)ccc1S(=O)(=O)N(CCC[NH3+])CC1CCCC1 ZINC000592388977 672796177 /nfs/dbraw/zinc/79/61/77/672796177.db2.gz ROIDNTKBWPPEAB-UHFFFAOYSA-N 1 0 351.472 2.097 20 30 FEEDRO N#Cc1csc(CN2CCO[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000593066077 672871150 /nfs/dbraw/zinc/87/11/50/672871150.db2.gz BIQVTUDUISJASM-ROUUACIJSA-N 1 0 354.479 2.490 20 30 FEEDRO C[C@@H]1C[NH+](C)C[C@@H](C)N1C(=O)Cc1ccc(Br)cc1C#N ZINC000593109351 672877544 /nfs/dbraw/zinc/87/75/44/672877544.db2.gz IGIOPJITKVRVML-VXGBXAGGSA-N 1 0 350.260 2.414 20 30 FEEDRO CCN(CC)c1ccc(/C=[NH+]\CCCN(C)S(=O)(=O)CC)c(O)c1 ZINC000255127103 672885050 /nfs/dbraw/zinc/88/50/50/672885050.db2.gz ZKFXDHHJUADARE-JXAWBTAJSA-N 1 0 355.504 2.329 20 30 FEEDRO CC[S@](=O)[C@@H]1CCC[C@H](NC(N[C@@H]2C[C@@](C)(OC)C2(C)C)=[NH+]C)C1 ZINC000261846131 672904216 /nfs/dbraw/zinc/90/42/16/672904216.db2.gz WUROGHGYQIFUQG-BYCFTYOUSA-N 1 0 357.564 2.435 20 30 FEEDRO CC[NH+]=C(NCC1(O)CCC1)N[C@@H]1CCN(c2cccc(Cl)c2)C1 ZINC000261867592 672904645 /nfs/dbraw/zinc/90/46/45/672904645.db2.gz ZDXDODJXDNDHLM-OAHLLOKOSA-N 1 0 350.894 2.389 20 30 FEEDRO CN(C)C(=[NH+]Cc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1)N(C)C ZINC000261900391 672905124 /nfs/dbraw/zinc/90/51/24/672905124.db2.gz VXZHIEYPZVFZIA-UHFFFAOYSA-N 1 0 351.394 2.088 20 30 FEEDRO C[NH+]=C(NCc1cn2ccccc2n1)N1CCN(c2cccs2)CC1 ZINC000261938876 672905433 /nfs/dbraw/zinc/90/54/33/672905433.db2.gz DBODMXKPSLUQAR-UHFFFAOYSA-N 1 0 354.483 2.293 20 30 FEEDRO C[NH+]=C(NCC1(SC)CCOCC1)N1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000262005177 672907304 /nfs/dbraw/zinc/90/73/04/672907304.db2.gz VKQSYFUTEIVCBL-JKSUJKDBSA-N 1 0 365.547 2.254 20 30 FEEDRO [NH2+]=C(NCc1cc(Br)c2c(c1)OCCO2)NCC1CCC1 ZINC000262011889 672907326 /nfs/dbraw/zinc/90/73/26/672907326.db2.gz UKQPBVGHNPZPFG-UHFFFAOYSA-N 1 0 354.248 2.425 20 30 FEEDRO CCC[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N1CCC2(C1)CCCCC2 ZINC000262437280 672915508 /nfs/dbraw/zinc/91/55/08/672915508.db2.gz UCNWXHNRIGQQAE-INIZCTEOSA-N 1 0 355.548 2.433 20 30 FEEDRO C[C@@H]1CCN(C(NC[C@H]2CCS(=O)(=O)C2)=[NH+]C2CC2)CC12CCC2 ZINC000262448712 672915961 /nfs/dbraw/zinc/91/59/61/672915961.db2.gz VQBIHIGTZFNWJN-HUUCEWRRSA-N 1 0 353.532 2.041 20 30 FEEDRO C[NH+]=C(NCCc1ccc(Br)s1)N[C@H]1CCN(C2CC2)C1 ZINC000262814547 672921423 /nfs/dbraw/zinc/92/14/23/672921423.db2.gz RPXJRVRCMQLUDA-NSHDSACASA-N 1 0 371.348 2.455 20 30 FEEDRO COc1ccc(CNC(=[NH2+])N2CCN(c3ccc(Cl)cc3)CC2)nc1 ZINC000262963093 672924969 /nfs/dbraw/zinc/92/49/69/672924969.db2.gz QMYWKPCDHZPDIU-UHFFFAOYSA-N 1 0 359.861 2.381 20 30 FEEDRO C[NH+](C)C[C@@H]1CCN(C(=O)Cc2ccc(Br)cc2C#N)C1 ZINC000593469468 672927917 /nfs/dbraw/zinc/92/79/17/672927917.db2.gz WHARWUAVOIYEHJ-LBPRGKRZSA-N 1 0 350.260 2.273 20 30 FEEDRO [NH2+]=C(NC[C@]1(Cc2ccc(F)cc2)CCC[C@H]1O)N1CCSCC1 ZINC000263255666 672930421 /nfs/dbraw/zinc/93/04/21/672930421.db2.gz KUVSMSGYCUWQMT-SJLPKXTDSA-N 1 0 351.491 2.263 20 30 FEEDRO C[NH+](C)C[C@H](CNS(=O)(=O)c1ccc(C#N)o1)c1ccc(Cl)cc1 ZINC000593618151 672959493 /nfs/dbraw/zinc/95/94/93/672959493.db2.gz YYQPSIKEDPXLHI-ZDUSSCGKSA-N 1 0 367.858 2.428 20 30 FEEDRO CCN(C[C@@H](C)C#N)S(=O)(=O)NCCC[N@H+](CC)C1CCCCC1 ZINC000593627450 672962234 /nfs/dbraw/zinc/96/22/34/672962234.db2.gz UFRGHDDPQRYLPA-INIZCTEOSA-N 1 0 358.552 2.347 20 30 FEEDRO CC(C)C[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(C#N)cc1Cl ZINC000593657570 672972562 /nfs/dbraw/zinc/97/25/62/672972562.db2.gz NWSGCNPVPSMYQO-UHFFFAOYSA-N 1 0 350.850 2.244 20 30 FEEDRO CNS(=O)(=O)Cc1ccc(CNC(=[NH2+])N[C@H](C)CCCC(C)C)cc1 ZINC000303773407 673017343 /nfs/dbraw/zinc/01/73/43/673017343.db2.gz FHKANCITVGFIFJ-OAHLLOKOSA-N 1 0 368.547 2.355 20 30 FEEDRO [NH2+]=C(NCCc1cccs1)NCC(=O)Nc1ccc(F)c(F)c1F ZINC000303769890 673017556 /nfs/dbraw/zinc/01/75/56/673017556.db2.gz BHWWWTZXNBPVME-UHFFFAOYSA-N 1 0 356.373 2.251 20 30 FEEDRO CN(C)C(=[NH+]CCCN1CCN(c2ccccc2Cl)CC1)N(C)C ZINC000303904924 673019051 /nfs/dbraw/zinc/01/90/51/673019051.db2.gz ZBPBOVJWAIUAPS-UHFFFAOYSA-N 1 0 351.926 2.331 20 30 FEEDRO CC(C)CNC(=[NH2+])NCCCNC(=O)c1cccc(Br)c1 ZINC000303986155 673019509 /nfs/dbraw/zinc/01/95/09/673019509.db2.gz UGPAYRJIJQKOMJ-UHFFFAOYSA-N 1 0 355.280 2.129 20 30 FEEDRO COC[C@@H](C)NC(=[NH2+])NCCC(=O)Nc1ccc(Br)cc1C ZINC000303978249 673019733 /nfs/dbraw/zinc/01/97/33/673019733.db2.gz MDXQVXGFCLEACB-LLVKDONJSA-N 1 0 371.279 2.025 20 30 FEEDRO CCOCCCNC(=[NH2+])NCc1cc(Br)c(OC)c(OC)c1 ZINC000303991674 673019765 /nfs/dbraw/zinc/01/97/65/673019765.db2.gz ZWEQXNWAEUWARU-UHFFFAOYSA-N 1 0 374.279 2.297 20 30 FEEDRO Cc1ccc(Br)cc1NC(=O)CNC(=[NH2+])N1CCCCC1 ZINC000303990501 673019801 /nfs/dbraw/zinc/01/98/01/673019801.db2.gz YTEWVLAKGAHBRL-UHFFFAOYSA-N 1 0 353.264 2.497 20 30 FEEDRO [NH2+]=C(NCCOc1cccnc1)NCc1ccc(OC(F)(F)F)cc1 ZINC000304759003 673020907 /nfs/dbraw/zinc/02/09/07/673020907.db2.gz QTQVFLYIKDLJHP-UHFFFAOYSA-N 1 0 354.332 2.464 20 30 FEEDRO CCOC(=O)N1CCC(NC(=[NH2+])N[C@H]2C[C@@H](OC)C2(CC)CC)CC1 ZINC000305059713 673021469 /nfs/dbraw/zinc/02/14/69/673021469.db2.gz FCCQQPUBLLHWEX-LSDHHAIUSA-N 1 0 354.495 2.105 20 30 FEEDRO Cc1csc(NC(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c1C#N ZINC000594105561 673031887 /nfs/dbraw/zinc/03/18/87/673031887.db2.gz MQRHKDGYRQKGJH-BBRMVZONSA-N 1 0 361.515 2.418 20 30 FEEDRO Cc1cc(NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C)ccc1Cl ZINC000594299025 673054995 /nfs/dbraw/zinc/05/49/95/673054995.db2.gz YTPXJTGCXLZZBX-UHFFFAOYSA-N 1 0 350.850 2.281 20 30 FEEDRO N#Cc1ccc(NC(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1Cl ZINC000594326948 673058993 /nfs/dbraw/zinc/05/89/93/673058993.db2.gz SNMWHQXYWKVISU-CVEARBPZSA-N 1 0 360.845 2.283 20 30 FEEDRO C[C@@H]1CN(C(C)(C)CNC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)C[C@@H](C)O1 ZINC000328660174 673064287 /nfs/dbraw/zinc/06/42/87/673064287.db2.gz UXQRFJMVQAPTTC-QBPKDAKJSA-N 1 0 352.523 2.005 20 30 FEEDRO O=C(CN1CCO[C@@H](c2nccs2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000329002407 673070958 /nfs/dbraw/zinc/07/09/58/673070958.db2.gz LPBLHXHHPQYCBC-OAHLLOKOSA-N 1 0 350.488 2.100 20 30 FEEDRO C[C@@H]1CN(Cc2csc(NC(=O)[C@H]([NH3+])CCCCC#N)n2)C[C@@H](C)O1 ZINC000594441361 673071846 /nfs/dbraw/zinc/07/18/46/673071846.db2.gz QYEZCTWDMKCXSL-UMVBOHGHSA-N 1 0 365.503 2.102 20 30 FEEDRO N#CCCCC[C@H]([NH3+])C(=O)NCCc1nc(-c2cccc(Cl)c2)no1 ZINC000594448047 673073341 /nfs/dbraw/zinc/07/33/41/673073341.db2.gz ZJGANPWSBYCFCG-AWEZNQCLSA-N 1 0 361.833 2.460 20 30 FEEDRO COCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[C@@H]2C(=O)N2CCCC2)C1 ZINC000329246378 673074049 /nfs/dbraw/zinc/07/40/49/673074049.db2.gz RCFDMDPIPHUSLW-BBWFWOEESA-N 1 0 351.491 2.092 20 30 FEEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000594532508 673095776 /nfs/dbraw/zinc/09/57/76/673095776.db2.gz CBROTEUQDJGGGB-CABZTGNLSA-N 1 0 374.388 2.025 20 30 FEEDRO CC(C)(C)OC(=O)NCCNC(=O)[C@@H]1CCC[N@H+](CCCCC#N)C1 ZINC000726602040 673131492 /nfs/dbraw/zinc/13/14/92/673131492.db2.gz VRVXZDJPPWPAQI-OAHLLOKOSA-N 1 0 352.479 2.033 20 30 FEEDRO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000594769802 673136300 /nfs/dbraw/zinc/13/63/00/673136300.db2.gz KYBIHHYZQFKNDW-OKILXGFUSA-N 1 0 361.492 2.264 20 30 FEEDRO COC(=O)CCC[NH+]1CCC(=NNC(=S)N[C@@H]2CCCC[C@@H]2C)CC1 ZINC000727058506 673151940 /nfs/dbraw/zinc/15/19/40/673151940.db2.gz ACEJSTRWYFBELL-GOEBONIOSA-N 1 0 368.547 2.434 20 30 FEEDRO CS(=O)(=O)N[C@H]1CCCC[C@H]1C[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594939475 673179329 /nfs/dbraw/zinc/17/93/29/673179329.db2.gz BUFPZJFLBAMWPV-WMZOPIPTSA-N 1 0 361.511 2.439 20 30 FEEDRO CS(=O)(=O)N[C@H]1CCCC[C@@H]1C[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594939469 673179555 /nfs/dbraw/zinc/17/95/55/673179555.db2.gz BUFPZJFLBAMWPV-AEFFLSMTSA-N 1 0 361.511 2.439 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N[C@H]2C[NH2+]CC[C@H]2c2cccc(F)c2)cc1 ZINC000595120813 673197266 /nfs/dbraw/zinc/19/72/66/673197266.db2.gz XGFMPEFKNYUWET-ROUUACIJSA-N 1 0 359.426 2.121 20 30 FEEDRO C[C@@H](CCNC(=O)C(=O)Nc1scc(C(C)(C)C)c1C#N)[NH+](C)C ZINC000595124107 673198016 /nfs/dbraw/zinc/19/80/16/673198016.db2.gz DUAJBUWFVMBCLF-NSHDSACASA-N 1 0 350.488 2.312 20 30 FEEDRO CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccccc2SCCC#N)C1 ZINC000595194494 673207685 /nfs/dbraw/zinc/20/76/85/673207685.db2.gz NWFWMEBBCAOUOL-CQSZACIVSA-N 1 0 360.483 2.231 20 30 FEEDRO N#Cc1ccc(Cc2cnc(NC(=O)NCC34CC(C3)C[NH2+]4)s2)cc1 ZINC000595230813 673212102 /nfs/dbraw/zinc/21/21/02/673212102.db2.gz DROHFBAHNDKJKL-UHFFFAOYSA-N 1 0 353.451 2.479 20 30 FEEDRO C[NH2+]C[C@@H](C)NC(=O)C(=O)Nc1sc2c(c1C#N)CC[C@H](C(C)C)C2 ZINC000595245092 673213235 /nfs/dbraw/zinc/21/32/35/673213235.db2.gz PLTMFLWQTSOLHP-NEPJUHHUSA-N 1 0 362.499 2.043 20 30 FEEDRO CCC[N@@H+]1CC[C@H](NS(=O)(=O)c2ccc(C#N)c(Br)c2)C1 ZINC000595355931 673231810 /nfs/dbraw/zinc/23/18/10/673231810.db2.gz STDFXMUHQXPXOA-LBPRGKRZSA-N 1 0 372.288 2.083 20 30 FEEDRO C[C@H]1C[C@@H](NC(=O)N2CCN(c3ccsc3C#N)CC2)C[N@@H+]1C1CC1 ZINC000595553436 673265474 /nfs/dbraw/zinc/26/54/74/673265474.db2.gz HEPKZILDXADQEB-UONOGXRCSA-N 1 0 359.499 2.077 20 30 FEEDRO CO[C@@H]1CCC[C@@H]([C@@H](CO)[NH2+]CC(=O)Nc2sc(C)c(C)c2C#N)C1 ZINC000595631323 673276247 /nfs/dbraw/zinc/27/62/47/673276247.db2.gz HENBHGLJLRXXMF-IIAWOOMASA-N 1 0 365.499 2.331 20 30 FEEDRO C=CCCSCCNC(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000595725749 673285921 /nfs/dbraw/zinc/28/59/21/673285921.db2.gz NSNHPGNBCQIHSW-IAGOWNOFSA-N 1 0 355.548 2.363 20 30 FEEDRO C=CCCSCCNC(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000595725750 673285976 /nfs/dbraw/zinc/28/59/76/673285976.db2.gz NSNHPGNBCQIHSW-IRXDYDNUSA-N 1 0 355.548 2.363 20 30 FEEDRO C[C@H]1CCC[C@H]([NH+]2CCC(N=Nc3ccc(S(N)(=O)=O)cn3)CC2)C1 ZINC000733744394 673436590 /nfs/dbraw/zinc/43/65/90/673436590.db2.gz HWARQIVQGMMPCA-ZFWWWQNUSA-N 1 0 365.503 2.171 20 30 FEEDRO CCOCCC[N@@H+]1CCC(=NNS(=O)(=O)Cc2ccccc2)[C@@H](C)C1 ZINC000735229826 673486888 /nfs/dbraw/zinc/48/68/88/673486888.db2.gz SKHISWIQAUAETO-INIZCTEOSA-N 1 0 367.515 2.230 20 30 FEEDRO C=C(Cl)CNC(=O)NCCC[N@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000736399277 673524264 /nfs/dbraw/zinc/52/42/64/673524264.db2.gz YFDUFAQVOKPIGD-QGZVFWFLSA-N 1 0 350.894 2.417 20 30 FEEDRO CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH2+][C@H](c2cccs2)C2CC2)CC1 ZINC000542510042 673587521 /nfs/dbraw/zinc/58/75/21/673587521.db2.gz ISCPASKAVFGEGS-APWZRJJASA-N 1 0 360.527 2.481 20 30 FEEDRO CC(C)(C#N)C[C@@H](O)C[NH2+]C[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000598700143 673599857 /nfs/dbraw/zinc/59/98/57/673599857.db2.gz LKQVNEBUPPPVBO-KGLIPLIRSA-N 1 0 360.376 2.335 20 30 FEEDRO C[C@H]1CC[C@@H](NC(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)C[NH2+]1 ZINC000599935017 673728956 /nfs/dbraw/zinc/72/89/56/673728956.db2.gz UZXRUHPSFLPKKV-DZGCQCFKSA-N 1 0 361.877 2.184 20 30 FEEDRO C=CCOc1ccc(C(F)(F)F)cc1C(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000545156252 673747339 /nfs/dbraw/zinc/74/73/39/673747339.db2.gz QGDVTCJLAKSSKW-INIZCTEOSA-N 1 0 358.360 2.067 20 30 FEEDRO CC(C)[C@H](C[NH2+]C[C@H](O)CC1(C#N)CCOCC1)N1CCC(C)CC1 ZINC000600717774 673794379 /nfs/dbraw/zinc/79/43/79/673794379.db2.gz NOLNFFPMNUTMOK-MOPGFXCFSA-N 1 0 351.535 2.404 20 30 FEEDRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+]C[C@H](O)CC2(C#N)CC2)c1 ZINC000600736820 673795605 /nfs/dbraw/zinc/79/56/05/673795605.db2.gz RISAANHBMCSARV-CQSZACIVSA-N 1 0 356.875 2.278 20 30 FEEDRO N#CC1(C[C@H](O)C[NH2+]C[C@H](CO)Cc2cccc(Br)c2)CC1 ZINC000600746168 673796165 /nfs/dbraw/zinc/79/61/65/673796165.db2.gz IDCMNZYTWONKIY-ZBFHGGJFSA-N 1 0 367.287 2.244 20 30 FEEDRO CN(CCC#N)C[C@H](O)C[NH2+]Cc1cc(F)c(Br)cc1F ZINC000600754810 673796495 /nfs/dbraw/zinc/79/64/95/673796495.db2.gz CGJGKPSFILKNMP-LLVKDONJSA-N 1 0 362.218 2.023 20 30 FEEDRO N#Cc1ccc(C2=CCN(S(=O)(=O)CCC[NH+]3CCCC3)CC2)cc1 ZINC000601383567 673852909 /nfs/dbraw/zinc/85/29/09/673852909.db2.gz LEUOSRIUIFPKGX-UHFFFAOYSA-N 1 0 359.495 2.463 20 30 FEEDRO C[C@@]12C[NH+](Cc3ccc(C#N)cc3C(F)(F)F)C[C@@]1(C)C(=O)NC2=O ZINC000602725296 673910342 /nfs/dbraw/zinc/91/03/42/673910342.db2.gz PBOYTZPWGSMJTK-HOTGVXAUSA-N 1 0 351.328 2.062 20 30 FEEDRO COc1ccc(C[N@H+](CCN2CCOCC2)[C@@H]2CCSC2)cc1C#N ZINC000602880207 673912458 /nfs/dbraw/zinc/91/24/58/673912458.db2.gz FORJCNUXVMDPTK-GOSISDBHSA-N 1 0 361.511 2.207 20 30 FEEDRO N#CC1(CS(=O)(=O)NCC2([NH+]3CCCC3)CCOCC2)CCCCC1 ZINC000548120377 673925008 /nfs/dbraw/zinc/92/50/08/673925008.db2.gz IBGVUNCNOZSDNN-UHFFFAOYSA-N 1 0 369.531 2.025 20 30 FEEDRO C#CC[N@@H+](C)CCCNC(=O)[C@H](C)Oc1ccc(F)cc1Br ZINC000818584566 675226210 /nfs/dbraw/zinc/22/62/10/675226210.db2.gz OZRZXUXZNWNMKU-LBPRGKRZSA-N 1 0 371.250 2.427 20 30 FEEDRO C#CC[N@@H+](C)CCCNC(=O)[C@@]1(CC)CCCN1C(=O)OC(C)(C)C ZINC000818592848 675226401 /nfs/dbraw/zinc/22/64/01/675226401.db2.gz BHFXYGBBTIASDZ-LJQANCHMSA-N 1 0 351.491 2.237 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]CC(=O)Nc1cc(Cl)ccc1-n1cncn1 ZINC000566660451 675232368 /nfs/dbraw/zinc/23/23/68/675232368.db2.gz HKQJIKQYLRGHGF-CJNGLKHVSA-N 1 0 361.833 2.182 20 30 FEEDRO N#Cc1ccc(NCC[NH2+]C[C@@H](O)c2ccc(Br)cc2)nc1 ZINC000818952494 675245918 /nfs/dbraw/zinc/24/59/18/675245918.db2.gz NMTLCNIZNSJLGC-OAHLLOKOSA-N 1 0 361.243 2.451 20 30 FEEDRO CC[C@H]1CCC[N@@H+](C(C)(C)CNS(=O)(=O)c2cncc(C#N)c2)C1 ZINC000566943510 675254561 /nfs/dbraw/zinc/25/45/61/675254561.db2.gz VCSVLBAONBOHHZ-AWEZNQCLSA-N 1 0 350.488 2.132 20 30 FEEDRO O=C(NCC[NH2+]C[C@H](O)c1ccc(Cl)cc1Cl)C1N=CC=CC1=O ZINC000819049620 675255433 /nfs/dbraw/zinc/25/54/33/675255433.db2.gz MFOBWPLDLUPBTG-BSZDNMLHSA-N 1 0 370.236 2.143 20 30 FEEDRO N#Cc1ccc(C[NH2+]CC2(OCCO)CCOCC2)c(C(F)(F)F)c1 ZINC000567087717 675265582 /nfs/dbraw/zinc/26/55/82/675265582.db2.gz CKHHOIQKZKQSAM-UHFFFAOYSA-N 1 0 358.360 2.225 20 30 FEEDRO C#CCOCC[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000819230984 675272244 /nfs/dbraw/zinc/27/22/44/675272244.db2.gz OGEYMRXBSYZGAJ-GFCCVEGCSA-N 1 0 362.651 2.082 20 30 FEEDRO C#C[C@@H](NC(=O)N1CC[NH+](CC(C)(C)O)CC1)c1ccc(Cl)cc1F ZINC000820745721 675384440 /nfs/dbraw/zinc/38/44/40/675384440.db2.gz YNQPLWGOGKVWJO-MRXNPFEDSA-N 1 0 367.852 2.252 20 30 FEEDRO COCC[N@H+]1[C@H](C)CN(C(=O)NCc2ccc(C#N)c(Cl)c2)C[C@@H]1C ZINC000827050779 675725681 /nfs/dbraw/zinc/72/56/81/675725681.db2.gz ZTCXFTUQHKGJLI-OKILXGFUSA-N 1 0 364.877 2.462 20 30 FEEDRO Cc1c(Cl)cnc(N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)c1C#N ZINC000603424451 675799016 /nfs/dbraw/zinc/79/90/16/675799016.db2.gz WKRAHMFWBPOCJJ-OAHLLOKOSA-N 1 0 363.893 2.124 20 30 FEEDRO N#Cc1cccc(OCC[NH+]2CCC(C(=O)NCC(F)(F)F)CC2)c1 ZINC000603840857 675801433 /nfs/dbraw/zinc/80/14/33/675801433.db2.gz DMXBKDKOPJJFCI-UHFFFAOYSA-N 1 0 355.360 2.328 20 30 FEEDRO CC[NH+]1CCC(NS(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000604029377 675803043 /nfs/dbraw/zinc/80/30/43/675803043.db2.gz WUVRWZWBAWYETP-UHFFFAOYSA-N 1 0 361.389 2.340 20 30 FEEDRO Cc1ccc(CN(CC[NH+](C)C)S(=O)(=O)c2cccc(CC#N)c2)o1 ZINC000619477773 676379338 /nfs/dbraw/zinc/37/93/38/676379338.db2.gz NBILZAIMRNXAJC-UHFFFAOYSA-N 1 0 361.467 2.407 20 30 FEEDRO CCN(C[C@H](C)C#N)S(=O)(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000619707440 676391472 /nfs/dbraw/zinc/39/14/72/676391472.db2.gz ZUVYFTJGMIXLIZ-QGZVFWFLSA-N 1 0 370.563 2.301 20 30 FEEDRO C=CCOc1ccc(C[N@H+]2CCC[C@@H](CS(=O)(=O)NC)C2)cc1OC ZINC000628495288 676805087 /nfs/dbraw/zinc/80/50/87/676805087.db2.gz NAVFEAVGDHCGNV-MRXNPFEDSA-N 1 0 368.499 2.021 20 30 FEEDRO C=CCCC(C)(C)CNC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000632992988 677024812 /nfs/dbraw/zinc/02/48/12/677024812.db2.gz RBBKHIRUZLTISH-UHFFFAOYSA-N 1 0 352.523 2.221 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)CC(C)(C)CNC(=O)OC(C)(C)C)CC1 ZINC000830161919 677028112 /nfs/dbraw/zinc/02/81/12/677028112.db2.gz BLLSSASNVINWPO-UHFFFAOYSA-N 1 0 351.491 2.141 20 30 FEEDRO C#CC1CC[NH+](CCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)CC1 ZINC000830333855 677035031 /nfs/dbraw/zinc/03/50/31/677035031.db2.gz LQPDSGYOQHRKEP-UHFFFAOYSA-N 1 0 359.495 2.400 20 30 FEEDRO C=CCNS(=O)(=O)c1ccccc1N[C@H]1CCN(c2ccccn2)C1 ZINC000641460602 677206823 /nfs/dbraw/zinc/20/68/23/677206823.db2.gz VAQKXCUXBSUVRR-HNNXBMFYSA-N 1 0 358.467 2.237 20 30 FEEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000643477278 677227005 /nfs/dbraw/zinc/22/70/05/677227005.db2.gz SMWDVICIHVSNCJ-JSGCOSHPSA-N 1 0 367.902 2.127 20 30 FEEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)COC1(C)C[NH2+]C1 ZINC000648049137 677310733 /nfs/dbraw/zinc/31/07/33/677310733.db2.gz TZNLAALMCHNCQC-UHFFFAOYSA-N 1 0 371.250 2.481 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)NCCNc1cccc(Br)c1 ZINC000838623527 680706741 /nfs/dbraw/zinc/70/67/41/680706741.db2.gz GYYPNWKEYNCTPK-UHFFFAOYSA-N 1 0 367.291 2.115 20 30 FEEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)NCCC1CC[NH2+]CC1 ZINC000652725129 677497664 /nfs/dbraw/zinc/49/76/64/677497664.db2.gz YBWOCPOHNRFXOQ-UHFFFAOYSA-N 1 0 369.918 2.422 20 30 FEEDRO CC[N@@H+]1CCC[C@H]1CNC(=S)N1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000761187928 680714234 /nfs/dbraw/zinc/71/42/34/680714234.db2.gz OULSBOUVWAOBDI-ZWKOTPCHSA-N 1 0 358.511 2.290 20 30 FEEDRO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](C)[C@H](CNC(=O)OC(C)(C)C)C2)C1=O ZINC000839090413 680737253 /nfs/dbraw/zinc/73/72/53/680737253.db2.gz JZJZMJWNXJOHCU-OAGGEKHMSA-N 1 0 351.491 2.256 20 30 FEEDRO C#CCOc1ccc(C[NH2+]Cc2cccc(S(=O)(=O)NCC)c2)cc1 ZINC000839147989 680741687 /nfs/dbraw/zinc/74/16/87/680741687.db2.gz DLCHJWMSXHVXSW-UHFFFAOYSA-N 1 0 358.463 2.287 20 30 FEEDRO C=CCOCCC[NH2+]C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 ZINC000658209058 678065484 /nfs/dbraw/zinc/06/54/84/678065484.db2.gz BFUZEXKNMHNZMN-UHFFFAOYSA-N 1 0 368.499 2.031 20 30 FEEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NCc1ccc(S(C)(=O)=O)cc1 ZINC000661115417 678437148 /nfs/dbraw/zinc/43/71/48/678437148.db2.gz RRAHYNIZPXIPKN-SJLPKXTDSA-N 1 0 364.511 2.431 20 30 FEEDRO C=CC[C@@]1(C(=O)Nc2cccc(S(=O)(=O)NC(C)(C)C)c2)CCC[NH2+]1 ZINC000662449015 678622277 /nfs/dbraw/zinc/62/22/77/678622277.db2.gz HUHJAJWKFUULOV-SFHVURJKSA-N 1 0 365.499 2.400 20 30 FEEDRO C=CC[C@]1(C(=O)Nc2ccc(S(=O)(=O)NCC3CC3)cc2)CCC[NH2+]1 ZINC000662483939 678628344 /nfs/dbraw/zinc/62/83/44/678628344.db2.gz PFHAIGMEQLYIRQ-GOSISDBHSA-N 1 0 363.483 2.012 20 30 FEEDRO C=CC[C@@]1(C(=O)Nc2ccc(N(C)S(=O)(=O)CC)cc2)CCC[NH2+]1 ZINC000662891250 678670663 /nfs/dbraw/zinc/67/06/63/678670663.db2.gz ZYRLARONBCTISZ-KRWDZBQOSA-N 1 0 351.472 2.109 20 30 FEEDRO C=C(C)Cn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CCC(F)(F)C1 ZINC000669334260 679229835 /nfs/dbraw/zinc/22/98/35/679229835.db2.gz AXFKUEWHLQAKQL-KGLIPLIRSA-N 1 0 353.417 2.235 20 30 FEEDRO C#CCC[NH+]1CCC(NS(=O)(=O)c2c(C)n(C)c3ccccc32)CC1 ZINC000840952219 680856582 /nfs/dbraw/zinc/85/65/82/680856582.db2.gz WORRZJHOYIPJSX-UHFFFAOYSA-N 1 0 359.495 2.253 20 30 FEEDRO CC[C@@H](c1nnc(NC(=O)N[C@H]2C[NH2+]C[C@H]2C#N)s1)c1ccccc1 ZINC000841110421 680863884 /nfs/dbraw/zinc/86/38/84/680863884.db2.gz HVBGLCGCUOFCEX-MCIONIFRSA-N 1 0 356.455 2.313 20 30 FEEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)Nc1ccc(N2CCSCC2)c(Cl)c1 ZINC000841093980 680862874 /nfs/dbraw/zinc/86/28/74/680862874.db2.gz WLBCQBAAJRBJIS-SMDDNHRTSA-N 1 0 365.890 2.126 20 30 FEEDRO C=CCNc1ncc(C(=O)N2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)s1 ZINC000747618534 679892826 /nfs/dbraw/zinc/89/28/26/679892826.db2.gz ZGVZMDAKRVYLJI-MGPQQGTHSA-N 1 0 350.488 2.065 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCCN(CCn2cc(Cl)cn2)C1 ZINC001008848175 679968684 /nfs/dbraw/zinc/96/86/84/679968684.db2.gz XCLWEAIMMUWFEN-ULQDDVLXSA-N 1 0 366.893 2.098 20 30 FEEDRO C#C[C@H](NS(=O)(=O)CC[NH+](CC)CC)c1ccc(Br)cc1 ZINC000831734371 680034650 /nfs/dbraw/zinc/03/46/50/680034650.db2.gz TXHOSQQVUCTJPX-HNNXBMFYSA-N 1 0 373.316 2.385 20 30 FEEDRO CCN(CCC#N)C(=O)CN(C)C1(CNC(=O)OC(C)(C)C)CCC1 ZINC000831819155 680048164 /nfs/dbraw/zinc/04/81/64/680048164.db2.gz YACZNFHICYRADH-UHFFFAOYSA-N 1 0 352.479 2.128 20 30 FEEDRO CCOc1cc(C=NNC(N)=[NH2+])cc(Br)c1OC(F)F ZINC000750913258 680139566 /nfs/dbraw/zinc/13/95/66/680139566.db2.gz XWXSXOZJKXTYHX-UHFFFAOYSA-N 1 0 351.151 2.266 20 30 FEEDRO C=C(Br)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCO[C@H]3C(=C)C)[C@@H]2C1 ZINC000978854120 680181822 /nfs/dbraw/zinc/18/18/22/680181822.db2.gz KBWCHRVKBRUCKS-GVRJEKJASA-N 1 0 369.303 2.170 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[N@H+](CC[C@@H]2CCCCO2)CC1 ZINC000981185735 680218875 /nfs/dbraw/zinc/21/88/75/680218875.db2.gz DEENCSOTJXISRD-OTWHNJEPSA-N 1 0 350.503 2.461 20 30 FEEDRO CC[C@@H]1[C@@H](C(=O)N2CCCN(Cc3ccc(C#N)s3)CC2)CC[N@@H+]1C ZINC000981197963 680220594 /nfs/dbraw/zinc/22/05/94/680220594.db2.gz SWRASLACXIIQEQ-ZWKOTPCHSA-N 1 0 360.527 2.384 20 30 FEEDRO CC(C)Oc1cc(Br)ccc1C(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000834493332 680234403 /nfs/dbraw/zinc/23/44/03/680234403.db2.gz CYHVDCMVTKIZDF-MFKMUULPSA-N 1 0 352.232 2.078 20 30 FEEDRO Cc1nn(-c2ccccc2)c2sc(C(=O)N[C@H]3C[NH2+]C[C@@H]3C#N)cc12 ZINC000834512491 680236789 /nfs/dbraw/zinc/23/67/89/680236789.db2.gz XUVOTZZDJIGRIZ-WFASDCNBSA-N 1 0 351.435 2.237 20 30 FEEDRO CC(C)c1c(C(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)cnn1-c1cccc(Cl)c1 ZINC000834516822 680237133 /nfs/dbraw/zinc/23/71/33/680237133.db2.gz MKALXXMAVGYITC-MLGOLLRUSA-N 1 0 357.845 2.490 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)N[C@@](C)(CO)c1ccc(Br)cc1 ZINC000912174743 685325048 /nfs/dbraw/zinc/32/50/48/685325048.db2.gz PVRMKLAJGNQFKG-INIZCTEOSA-N 1 0 355.276 2.281 20 30 FEEDRO C=CCS(=O)(=O)CC[NH2+][C@H](CC)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000834761524 680264428 /nfs/dbraw/zinc/26/44/28/680264428.db2.gz RKPVGIJAYQCNEY-CABCVRRESA-N 1 0 360.520 2.355 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCCC[C@H]1C[NH2+]CC1CCOCC1 ZINC001025112086 680313897 /nfs/dbraw/zinc/31/38/97/680313897.db2.gz RAWIEMHRRSPGRP-FHWLQOOXSA-N 1 0 350.503 2.365 20 30 FEEDRO C=C(Br)C[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)CC1 ZINC000996684437 680338942 /nfs/dbraw/zinc/33/89/42/680338942.db2.gz MZGYYESABYFPOM-CHWSQXEVSA-N 1 0 353.264 2.002 20 30 FEEDRO C=C(Br)C[NH2+]C1CCN(C(=O)[C@]23CCC[C@H]2OCC3)CC1 ZINC000996794346 680341245 /nfs/dbraw/zinc/34/12/45/680341245.db2.gz IWDCXPSASNEHRC-ZBFHGGJFSA-N 1 0 357.292 2.435 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([NH2+]Cc2csc(Cl)n2)CC1 ZINC000997012683 680345433 /nfs/dbraw/zinc/34/54/33/680345433.db2.gz VSDRCQRMNQKTGV-KGLIPLIRSA-N 1 0 355.891 2.468 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC([NH2+]CCn2cc(Cl)cn2)CC1 ZINC000997082487 680346863 /nfs/dbraw/zinc/34/68/63/680346863.db2.gz CVBHKJQHPNUMNK-IRXDYDNUSA-N 1 0 366.893 2.098 20 30 FEEDRO N#Cc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)[C@@H]3CCO[C@H]3C3CC3)C2)s1 ZINC001026966623 680354215 /nfs/dbraw/zinc/35/42/15/680354215.db2.gz ZTLVAIGTHILTPN-VHSSKADRSA-N 1 0 359.495 2.373 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2nnc(C(C)C)s2)C1 ZINC001027076882 680354819 /nfs/dbraw/zinc/35/48/19/680354819.db2.gz VTTJLZCQUDBBLP-KFWWJZLASA-N 1 0 364.515 2.191 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC(C[NH2+]C[C@H]2CCCCO2)CC1 ZINC000997784105 680366496 /nfs/dbraw/zinc/36/64/96/680366496.db2.gz AQADBROIBVJJRS-QRVBRYPASA-N 1 0 350.503 2.365 20 30 FEEDRO COC(=O)CCC[NH+]1CCC(N=Nc2ccc(C(F)(F)F)nn2)CC1 ZINC000754710636 680372421 /nfs/dbraw/zinc/37/24/21/680372421.db2.gz MBVBKKRDOOESBF-UHFFFAOYSA-N 1 0 359.352 2.312 20 30 FEEDRO C=C(Cl)C[N@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)CC1 ZINC000998065434 680373958 /nfs/dbraw/zinc/37/39/58/680373958.db2.gz GPJGXUAYJXDCFW-XLAORIBOSA-N 1 0 370.921 2.493 20 30 FEEDRO C#CCOCCC(=O)N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000755440560 680414593 /nfs/dbraw/zinc/41/45/93/680414593.db2.gz DIKGOQBYLNBHGI-UHFFFAOYSA-N 1 0 354.372 2.390 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)NCc1cc(Br)ccc1F ZINC000836215320 680436407 /nfs/dbraw/zinc/43/64/07/680436407.db2.gz ASNXTHGQCWENBF-UHFFFAOYSA-N 1 0 356.239 2.343 20 30 FEEDRO C=C(Br)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC1 ZINC001034740844 680439592 /nfs/dbraw/zinc/43/95/92/680439592.db2.gz UNJCKIIPZRKPJG-RYPNDVFKSA-N 1 0 357.292 2.480 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1=CC[N@H+](CCc2ccns2)CC1 ZINC001001257175 680455952 /nfs/dbraw/zinc/45/59/52/680455952.db2.gz SACDSDDNRQZNIA-ROUUACIJSA-N 1 0 361.511 2.415 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2[C@H](C)COC ZINC001039941298 680468085 /nfs/dbraw/zinc/46/80/85/680468085.db2.gz KWHCWQVQZQUCRQ-GFEQUFNTSA-N 1 0 350.503 2.458 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)NCC1CCN(Cc2nnc(CC)s2)CC1 ZINC001001852115 680478533 /nfs/dbraw/zinc/47/85/33/680478533.db2.gz SAFVHVDRHLQNFO-CABCVRRESA-N 1 0 364.515 2.020 20 30 FEEDRO C[C@@H]1CCO[C@@H]1C(=O)N1CC[C@]2(CC[N@H+](Cc3ccc(C#N)s3)C2)C1 ZINC001041689580 680508291 /nfs/dbraw/zinc/50/82/91/680508291.db2.gz FKPYIOWEEZYCSX-LJHODMEESA-N 1 0 359.495 2.469 20 30 FEEDRO C[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1Nc1nc(Cl)c(C#N)s1 ZINC001043252449 680569670 /nfs/dbraw/zinc/56/96/70/680569670.db2.gz RWLSYHFSZPWASB-IJLUTSLNSA-N 1 0 367.906 2.269 20 30 FEEDRO C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1Nc1nc(C#N)c(Cl)s1 ZINC001043355419 680576788 /nfs/dbraw/zinc/57/67/88/680576788.db2.gz FDULTIOLAJQHJV-ZYHUDNBSSA-N 1 0 367.906 2.411 20 30 FEEDRO C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1Nc1snc(Cl)c1C#N ZINC001043359017 680577458 /nfs/dbraw/zinc/57/74/58/680577458.db2.gz PXLHFABAJHQSCZ-OASPWFOLSA-N 1 0 367.906 2.267 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1CC[NH+](C[C@@H]2CCCCO2)CC1 ZINC001006122005 680594024 /nfs/dbraw/zinc/59/40/24/680594024.db2.gz FEBWGHLXIUABED-FHWLQOOXSA-N 1 0 350.503 2.460 20 30 FEEDRO C#CC[NH+]1CCC2(CO[C@@H](CNC(=O)[C@@H]3C[C@H]3c3ccsc3)C2)CC1 ZINC001045675393 680637731 /nfs/dbraw/zinc/63/77/31/680637731.db2.gz RXKWKZVAPCJYCL-FGTMMUONSA-N 1 0 358.507 2.472 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CC2(CO1)CC[NH+](CCCC)CC2 ZINC001045678306 680638081 /nfs/dbraw/zinc/63/80/81/680638081.db2.gz QCOUTLHLGXBKEU-KSZLIROESA-N 1 0 350.503 2.365 20 30 FEEDRO C=C(Cl)C[NH+]1CCC2(CO[C@H](CNC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)CC1 ZINC001045681259 680638204 /nfs/dbraw/zinc/63/82/04/680638204.db2.gz DYZBSDOZTLKEKM-TWMKSMIVSA-N 1 0 368.905 2.294 20 30 FEEDRO Cc1nsc(N[C@@H]2CC[C@H](CNC(=O)C3CC[NH+](C)CC3)C2)c1C#N ZINC001047334199 680660800 /nfs/dbraw/zinc/66/08/00/680660800.db2.gz QABIYBLHBJJCTJ-DZGCQCFKSA-N 1 0 361.515 2.362 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@H]1C[N@H+](CCCC2CCC2)C[C@@H]1O ZINC001047385422 680661997 /nfs/dbraw/zinc/66/19/97/680661997.db2.gz LPYXDTIJYYKPGV-XWSJACJDSA-N 1 0 350.503 2.051 20 30 FEEDRO CCOC(=O)c1c(NC(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)sc2c1CCCC2 ZINC000841157758 680866520 /nfs/dbraw/zinc/86/65/20/680866520.db2.gz XPIVUZHKYGMBHS-CMPLNLGQSA-N 1 0 362.455 2.037 20 30 FEEDRO C=CCOC(=O)c1sc(NC(=O)NC[C@H](C)[NH3+])c(C(=O)OCC)c1C ZINC000841157318 680866534 /nfs/dbraw/zinc/86/65/34/680866534.db2.gz FIENXEIPPQVDLS-VIFPVBQESA-N 1 0 369.443 2.045 20 30 FEEDRO COCCOc1c(Cl)cc(NC(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)cc1Cl ZINC000841172137 680867314 /nfs/dbraw/zinc/86/73/14/680867314.db2.gz FOPMLPGIBUAQNQ-NOZJJQNGSA-N 1 0 373.240 2.252 20 30 FEEDRO Cc1c(Br)c(Cl)ncc1NC(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000841192260 680868403 /nfs/dbraw/zinc/86/84/03/680868403.db2.gz QCPIAMKPFDQYPL-CBAPKCEASA-N 1 0 358.627 2.039 20 30 FEEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)Nc1cc(F)c(Br)cc1Cl ZINC000841230634 680870172 /nfs/dbraw/zinc/87/01/72/680870172.db2.gz WDGKIZIKUFZGGU-KBUNVGBDSA-N 1 0 361.602 2.475 20 30 FEEDRO NC(=NOCc1ccc(Cl)cn1)c1ccc(CN2CCOCC2)cc1 ZINC000767547975 680916011 /nfs/dbraw/zinc/91/60/11/680916011.db2.gz KBCHQASOWIJTAX-UHFFFAOYSA-N 1 0 360.845 2.404 20 30 FEEDRO C#CCOc1ccc(Br)cc1C[NH2+][C@H](CO)[C@H](O)CCC ZINC000842224728 680933670 /nfs/dbraw/zinc/93/36/70/680933670.db2.gz FCLFNDWXZGUGES-HUUCEWRRSA-N 1 0 356.260 2.073 20 30 FEEDRO C=CCS(=O)(=O)CC[NH2+][C@@H]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC000842696304 680960172 /nfs/dbraw/zinc/96/01/72/680960172.db2.gz UOBQOAUNLKCUCN-ARFHVFGLSA-N 1 0 372.531 2.212 20 30 FEEDRO C[C@@H](C[C@@H](O)c1ccccc1)[NH2+]CCS(=O)(=O)c1cccc(C#N)c1 ZINC000843090248 680986980 /nfs/dbraw/zinc/98/69/80/680986980.db2.gz VPBBKWQNGDYQDY-HNAYVOBHSA-N 1 0 358.463 2.434 20 30 FEEDRO N#CCc1ccc(OC[C@@H](O)C[NH2+]C[C@@H](O)c2ccc(Cl)cc2)cc1 ZINC000843094222 680987225 /nfs/dbraw/zinc/98/72/25/680987225.db2.gz PNIWFIDCWLSMBL-PKOBYXMFSA-N 1 0 360.841 2.469 20 30 FEEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)C1(c2ccc(Br)cc2)CCCC1 ZINC000843462323 681005044 /nfs/dbraw/zinc/00/50/44/681005044.db2.gz PMKOLMHXNNBTHB-IUODEOHRSA-N 1 0 362.271 2.489 20 30 FEEDRO C[C@@H]1CCO[C@@H]1C(=O)N1CCC[C@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@H]21 ZINC001050144888 681042611 /nfs/dbraw/zinc/04/26/11/681042611.db2.gz RHMILRDCXGNOJU-NONVJHHQSA-N 1 0 359.495 2.468 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)O[C@H](Cc2ccc(Cl)cc2)C(=O)OC)CC1 ZINC000772114163 681086442 /nfs/dbraw/zinc/08/64/42/681086442.db2.gz WHCMJSPKLUCMKP-QGZVFWFLSA-N 1 0 363.841 2.313 20 30 FEEDRO C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1CNc1ncc(C#N)cc1Cl ZINC001053666069 681103298 /nfs/dbraw/zinc/10/32/98/681103298.db2.gz AJYIXCQYUZNGHB-XPKDYRNWSA-N 1 0 361.877 2.207 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCC2(C[NH+](CCC(C)C)C2)O1 ZINC001053675091 681103528 /nfs/dbraw/zinc/10/35/28/681103528.db2.gz FFGQYFCHOZIKEY-BZSNNMDCSA-N 1 0 350.503 2.363 20 30 FEEDRO C=C(Cl)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1OC[C@@H]3COCC[C@H]13)C2 ZINC001054170564 681106350 /nfs/dbraw/zinc/10/63/50/681106350.db2.gz GODNNMXNIFMDBE-BMFAXAFESA-N 1 0 368.905 2.105 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(F)F)CC1 ZINC000932140829 681183198 /nfs/dbraw/zinc/18/31/98/681183198.db2.gz JZNUSEOHTPKRIH-CYBMUJFWSA-N 1 0 361.433 2.302 20 30 FEEDRO COC(=O)/C=C1/SCC(=O)N1CCC[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000775335803 681298759 /nfs/dbraw/zinc/29/87/59/681298759.db2.gz REFWTIAYGIJVDT-VGSSETLESA-N 1 0 359.451 2.189 20 30 FEEDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)C2(C#N)CCSCC2)[C@H](C)C1 ZINC000932945632 681333119 /nfs/dbraw/zinc/33/31/19/681333119.db2.gz DMPNNPCNJYSBKF-CVEARBPZSA-N 1 0 353.532 2.277 20 30 FEEDRO CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)c1 ZINC000933463367 681416614 /nfs/dbraw/zinc/41/66/14/681416614.db2.gz FQKUACNRTYFFLP-OAHLLOKOSA-N 1 0 364.511 2.190 20 30 FEEDRO C=CC1(CC(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)CN(C(=O)OC(C)(C)C)C1 ZINC000933492778 681420698 /nfs/dbraw/zinc/42/06/98/681420698.db2.gz VLOIVMJWJNQXTB-HUUCEWRRSA-N 1 0 351.491 2.399 20 30 FEEDRO CC[NH+](CC)CC[C@@H](CO)NC(=O)C#Cc1ccc(C(F)(F)F)cc1 ZINC000848025652 681464085 /nfs/dbraw/zinc/46/40/85/681464085.db2.gz YRWRBTJYINMTJH-INIZCTEOSA-N 1 0 356.388 2.266 20 30 FEEDRO COC(=O)/C=C1\SCC(=O)N1CCC[N@H+](C)Cc1cc(C#N)cs1 ZINC000933774345 681466996 /nfs/dbraw/zinc/46/69/96/681466996.db2.gz OIVYYAKHWHEMHQ-CHHVJCJISA-N 1 0 365.480 2.031 20 30 FEEDRO CC[N@H+](CCC(=O)NC)CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1 ZINC000933866831 681476601 /nfs/dbraw/zinc/47/66/01/681476601.db2.gz IGODCQZCEHBSNZ-UHFFFAOYSA-N 1 0 364.877 2.353 20 30 FEEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)C1(c2cccc(OC(F)(F)F)c2)CCC1 ZINC000848418768 681537335 /nfs/dbraw/zinc/53/73/35/681537335.db2.gz MYJBXLJQZSKNSH-RISCZKNCSA-N 1 0 353.344 2.235 20 30 FEEDRO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCC(CN=[S@@](C)(=O)N(C)C)CC1 ZINC000934750015 681620992 /nfs/dbraw/zinc/62/09/92/681620992.db2.gz KVVRNNSPUFPHDE-IVCQMTBJSA-N 1 0 372.579 2.086 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC2(CC1)C[N@H+](C[C@H](C)CC)CCO2 ZINC000949477028 681643024 /nfs/dbraw/zinc/64/30/24/681643024.db2.gz OQEVAIOXZBQNRA-KURKYZTESA-N 1 0 350.503 2.317 20 30 FEEDRO C[NH+]=C(NC[C@@H](CO)Cc1cc(Br)ccc1F)NC1CC1 ZINC000849110126 681654967 /nfs/dbraw/zinc/65/49/67/681654967.db2.gz SYLCVGQFPOTVEZ-JTQLQIEISA-N 1 0 358.255 2.067 20 30 FEEDRO COc1ccc(-c2nc(C(=O)NCC#CC[NH+](C)C)cs2)cc1OC ZINC000913515544 685479272 /nfs/dbraw/zinc/47/92/72/685479272.db2.gz BIIISOMVJRJAFN-UHFFFAOYSA-N 1 0 359.451 2.122 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)NC[C@H](c2ccccc2Cl)N(C)C)CC1 ZINC000913896822 685488036 /nfs/dbraw/zinc/48/80/36/685488036.db2.gz JSLCVNUNLXDUHG-GOSISDBHSA-N 1 0 362.905 2.340 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(F)cc1F)S(=O)(=O)CC(C)(C)C#N ZINC000913990673 685491346 /nfs/dbraw/zinc/49/13/46/685491346.db2.gz UBJSNBUHAKSHJP-UHFFFAOYSA-N 1 0 359.442 2.208 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CC[C@@H](C2OCCO2)C1)C(C)C ZINC000914125580 685495444 /nfs/dbraw/zinc/49/54/44/685495444.db2.gz HYARCXRWUASXFV-SJORKVTESA-N 1 0 351.491 2.089 20 30 FEEDRO Cc1cc(C#N)cc(C)c1CS(=O)(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000914267253 685501627 /nfs/dbraw/zinc/50/16/27/685501627.db2.gz HCDMMBQCSPRMCR-PKOBYXMFSA-N 1 0 361.511 2.421 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH+]1CCC2(CNC(=O)O2)CC1 ZINC000781995486 681996164 /nfs/dbraw/zinc/99/61/64/681996164.db2.gz VXIHDYILKOOFRT-AWEZNQCLSA-N 1 0 363.483 2.226 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CC2(C1)CC([NH2+]Cc1nncs1)C2 ZINC000965424606 682190146 /nfs/dbraw/zinc/19/01/46/682190146.db2.gz MPCDWSIBJMJLRE-OSTWFHKSSA-N 1 0 362.499 2.036 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC(CO)(C(F)(F)F)CC2)CC1 ZINC000917097810 685529597 /nfs/dbraw/zinc/52/95/97/685529597.db2.gz JTIVQBAAFDFMHI-UHFFFAOYSA-N 1 0 363.424 2.373 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N2CCn3nc(C(F)(F)F)cc3C2)CC1 ZINC000917142034 685530014 /nfs/dbraw/zinc/53/00/14/685530014.db2.gz NOHXQPPWHAANAG-UHFFFAOYSA-N 1 0 357.380 2.078 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c(C(F)(F)F)c1 ZINC000917654586 685533513 /nfs/dbraw/zinc/53/35/13/685533513.db2.gz HNSPHENXPDYPET-QWHCGFSZSA-N 1 0 373.400 2.482 20 30 FEEDRO C[N@H+]1C[C@]2(C)CN(S(=O)(=O)c3ccc(C#N)c(Cl)c3)C[C@]2(C)C1 ZINC000918352834 685538626 /nfs/dbraw/zinc/53/86/26/685538626.db2.gz WRKLGJWXVSPKEI-IYBDPMFKSA-N 1 0 353.875 2.174 20 30 FEEDRO O=C(C#CC1CC[NH2+]CC1)Nc1ccc(Cl)cc1C(=O)NCC1CC1 ZINC000852810366 682345969 /nfs/dbraw/zinc/34/59/69/682345969.db2.gz LSDCVUCKBYBUBB-UHFFFAOYSA-N 1 0 359.857 2.421 20 30 FEEDRO COc1cc(CN(C)C(=O)C#CC2CC[NH2+]CC2)c(SC)cc1OC ZINC000852845765 682349914 /nfs/dbraw/zinc/34/99/14/682349914.db2.gz JQRQMTRBKQWTBC-UHFFFAOYSA-N 1 0 362.495 2.387 20 30 FEEDRO C[C@@H](CNC(=O)C#CC1CC[NH2+]CC1)Oc1ccccc1Br ZINC000852847207 682350085 /nfs/dbraw/zinc/35/00/85/682350085.db2.gz KLRMRZUAROWOCK-ZDUSSCGKSA-N 1 0 365.271 2.336 20 30 FEEDRO O=C(C#CC1CC[NH2+]CC1)N1CCOc2cc(Br)ccc2C1 ZINC000852917943 682357256 /nfs/dbraw/zinc/35/72/56/682357256.db2.gz QNAPVAPFHBPVPH-UHFFFAOYSA-N 1 0 363.255 2.173 20 30 FEEDRO C#C[C@H]([NH2+]C[C@H](O)COc1cccc(C(F)(F)F)c1)C1CCOCC1 ZINC000853115184 682377577 /nfs/dbraw/zinc/37/75/77/682377577.db2.gz FZWHUDHTZLDUJE-RDJZCZTQSA-N 1 0 357.372 2.463 20 30 FEEDRO C=C(Br)CNC(=O)C(=O)NC[C@@H](C(C)C)[NH+]1CCCCCC1 ZINC000786631032 682393697 /nfs/dbraw/zinc/39/36/97/682393697.db2.gz ZEKBANROZDHCLE-AWEZNQCLSA-N 1 0 374.323 2.028 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H]([N@H+](C)CCn2cc(Cl)cn2)C1 ZINC000972520532 682419095 /nfs/dbraw/zinc/41/90/95/682419095.db2.gz CIVIQTJMHBJHPO-IKGGRYGDSA-N 1 0 366.893 2.050 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@]2(C1)C[N@H+](CCC(C)C)CCO2 ZINC000972597990 682425881 /nfs/dbraw/zinc/42/58/81/682425881.db2.gz YEEVNTWFCPWEPR-BJLQDIEVSA-N 1 0 350.503 2.317 20 30 FEEDRO CCN(CC)S(=O)(=O)c1ccc(N=NC2CCC[C@@H]([NH+](C)C)C2)nc1 ZINC000788418826 682529105 /nfs/dbraw/zinc/52/91/05/682529105.db2.gz BHMUGMSPEKYABQ-OAHLLOKOSA-N 1 0 367.519 2.384 20 30 FEEDRO C[C@@H]1CCC[N@@H+]1CCNS(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000788677191 682549774 /nfs/dbraw/zinc/54/97/74/682549774.db2.gz QUMCBUSATRRISQ-LLVKDONJSA-N 1 0 372.288 2.083 20 30 FEEDRO CCOC(=O)[C@H]1[C@H]([NH2+]CC2(CC#N)CC2)CCN1C(=O)OC(C)(C)C ZINC000788804978 682557883 /nfs/dbraw/zinc/55/78/83/682557883.db2.gz ZCNLSWWPWNCOHK-ZIAGYGMSSA-N 1 0 351.447 2.211 20 30 FEEDRO C#CCCCS(=O)(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000791419144 682741835 /nfs/dbraw/zinc/74/18/35/682741835.db2.gz WKDBJKFOTHCBCE-SFHVURJKSA-N 1 0 350.484 2.165 20 30 FEEDRO C=C(C)CS(=O)(=O)N1CC[C@@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1 ZINC000856549795 682792602 /nfs/dbraw/zinc/79/26/02/682792602.db2.gz UZLRTVSFGHTWDV-GOSISDBHSA-N 1 0 367.515 2.281 20 30 FEEDRO C#CCCN1CCN(C(=O)c2ccc(Br)c(OC)c2)CC1 ZINC000859003347 683024707 /nfs/dbraw/zinc/02/47/07/683024707.db2.gz KPQKUUFWMLOODW-UHFFFAOYSA-N 1 0 351.244 2.239 20 30 FEEDRO [NH3+]CC[C@H](NC(=O)N1CC[C@]2(CC(F)(F)C2(F)F)C1)C(F)(F)F ZINC000926169834 683087437 /nfs/dbraw/zinc/08/74/37/683087437.db2.gz NCTPOUPGEDMEBV-CBAPKCEASA-N 1 0 351.266 2.342 20 30 FEEDRO C[C@H](C#N)Oc1ccc(C[NH2+]C[C@H]2CCCC[C@H]2NS(C)(=O)=O)cc1 ZINC000796491965 683165822 /nfs/dbraw/zinc/16/58/22/683165822.db2.gz XLFJRMOAWIWHBH-QGPMSJSTSA-N 1 0 365.499 2.175 20 30 FEEDRO N#CCSCCC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(F)(F)F ZINC000860050518 683195078 /nfs/dbraw/zinc/19/50/78/683195078.db2.gz XADHWWDKYZPUBD-FQUUOJAGSA-N 1 0 361.433 2.364 20 30 FEEDRO C[C@H]([NH2+]C[C@@H]1CCCCN1S(C)(=O)=O)c1ccc(OCC#N)cc1 ZINC000797097063 683222245 /nfs/dbraw/zinc/22/22/45/683222245.db2.gz UHFWMMIABPMMQQ-HOCLYGCPSA-N 1 0 351.472 2.054 20 30 FEEDRO C[C@@H]1CN(C(=O)C(=O)Nc2ccccc2SCCC#N)C[C@H]1CC[NH3+] ZINC000927830071 683319509 /nfs/dbraw/zinc/31/95/09/683319509.db2.gz OJMWERZOYYCGCL-ZIAGYGMSSA-N 1 0 360.483 2.074 20 30 FEEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CC[C@H](CC[NH3+])C1 ZINC000927886088 683333482 /nfs/dbraw/zinc/33/34/82/683333482.db2.gz KYJYJUDIEDHDIM-KBPBESRZSA-N 1 0 360.483 2.074 20 30 FEEDRO C=CCN1CC[C@@H]([NH2+][C@@H](CNC(=O)OC(C)(C)C)C2CCCC2)C1=O ZINC000799168234 683431533 /nfs/dbraw/zinc/43/15/33/683431533.db2.gz HCIDEJJFUQKEIF-CVEARBPZSA-N 1 0 351.491 2.446 20 30 FEEDRO CCCCCCCNC(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000861655215 683449514 /nfs/dbraw/zinc/44/95/14/683449514.db2.gz HMVGMCUEDXVDNG-DLBZAZTESA-N 1 0 352.523 2.247 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)NCCOc2ncc(Cl)cc2Cl)CC1 ZINC000921476054 683479675 /nfs/dbraw/zinc/47/96/75/683479675.db2.gz RVQYRKWMYFCEKU-UHFFFAOYSA-N 1 0 371.268 2.164 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)c2cnn(C(C)(C)C)c2Br)CC1 ZINC000928648586 683480843 /nfs/dbraw/zinc/48/08/43/683480843.db2.gz NIMSRYZEBOTDSX-UHFFFAOYSA-N 1 0 367.291 2.228 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)C(F)(F)c2ncccc2Br)CC1 ZINC000928661505 683483640 /nfs/dbraw/zinc/48/36/40/683483640.db2.gz WFIMXZLCDSATIV-UHFFFAOYSA-N 1 0 372.213 2.150 20 30 FEEDRO C#CCN(C(=O)N[C@H]1CCOC2(CCSCC2)C1)C1CC[NH+](C)CC1 ZINC000921555210 683500379 /nfs/dbraw/zinc/50/03/79/683500379.db2.gz DETWBDDTTUBNFU-INIZCTEOSA-N 1 0 365.543 2.170 20 30 FEEDRO C#CCCCS(=O)(=O)NCC1([N@H+](C)Cc2ccccc2)CCOCC1 ZINC000921633743 683527128 /nfs/dbraw/zinc/52/71/28/683527128.db2.gz SBPAPZVPURBZGH-UHFFFAOYSA-N 1 0 364.511 2.000 20 30 FEEDRO C#C[C@H]([NH2+][C@H](C)[C@H]1CN(C(=O)OC(C)(C)C)CCO1)C1CCOCC1 ZINC000862419336 683588983 /nfs/dbraw/zinc/58/89/83/683588983.db2.gz QGHVKTBPFNFOJU-HYVNUMGLSA-N 1 0 352.475 2.029 20 30 FEEDRO COc1ccc(NC(=O)NCC#CC[NH+](C)C)cc1OCC(F)(F)F ZINC000929550065 683608659 /nfs/dbraw/zinc/60/86/59/683608659.db2.gz WBNYLVUIPUKUPA-UHFFFAOYSA-N 1 0 359.348 2.323 20 30 FEEDRO C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(OC(C)C)cc1 ZINC000922024189 683639723 /nfs/dbraw/zinc/63/97/23/683639723.db2.gz NDAKRQHHXJPMLB-UHFFFAOYSA-N 1 0 350.484 2.192 20 30 FEEDRO C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(Cl)cc1OC ZINC000922026400 683640442 /nfs/dbraw/zinc/64/04/42/683640442.db2.gz NPIHLIOSNCASFI-UHFFFAOYSA-N 1 0 356.875 2.067 20 30 FEEDRO N#CCOc1cc(F)ccc1NC(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000930385492 683723056 /nfs/dbraw/zinc/72/30/56/683723056.db2.gz CJKGSTMNKGUIPI-UKRRQHHQSA-N 1 0 364.446 2.429 20 30 FEEDRO C#CCN(C(=O)NC[C@@]1(C)OCCc2sccc21)C1CC[NH+](C)CC1 ZINC000922530079 683741774 /nfs/dbraw/zinc/74/17/74/683741774.db2.gz BBIRBWDNAJDDSH-LJQANCHMSA-N 1 0 361.511 2.275 20 30 FEEDRO C#CC[C@H](CCOC)[NH2+]C[C@H](O)COc1ccc(Br)cc1 ZINC000863589003 683746888 /nfs/dbraw/zinc/74/68/88/683746888.db2.gz IVAYUVLIXAIPDJ-CABCVRRESA-N 1 0 356.260 2.207 20 30 FEEDRO C=CCCSCCNC(=O)C(=O)NC1CCC(C)([NH+]2CCCC2)CC1 ZINC000930960556 683811035 /nfs/dbraw/zinc/81/10/35/683811035.db2.gz NSIUOOPYOUBJTL-UHFFFAOYSA-N 1 0 367.559 2.325 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)c2c(F)cncc2Br)CC1 ZINC000866015330 684060776 /nfs/dbraw/zinc/06/07/76/684060776.db2.gz MVAWEMPKWFWWNO-UHFFFAOYSA-N 1 0 354.223 2.201 20 30 FEEDRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@H]2Cc3ccc(C#N)cc3C2)cc1 ZINC000866614635 684126241 /nfs/dbraw/zinc/12/62/41/684126241.db2.gz KTPDFUIYAJVYJG-UGSOOPFHSA-N 1 0 355.463 2.284 20 30 FEEDRO COC(=O)[C@H](c1ccc(C#N)cc1)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000866668848 684131904 /nfs/dbraw/zinc/13/19/04/684131904.db2.gz KDBBPCPEDWTYGL-ZNMIVQPWSA-N 1 0 355.360 2.231 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)cc1C(F)(F)F ZINC000866826968 684162386 /nfs/dbraw/zinc/16/23/86/684162386.db2.gz GAYYEDWKVYOPHA-KBPBESRZSA-N 1 0 359.373 2.092 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)Nc2cc(F)c(OC)c(F)c2OC)CC1 ZINC000931654315 684321422 /nfs/dbraw/zinc/32/14/22/684321422.db2.gz KCVSNMZBKKGICQ-UHFFFAOYSA-N 1 0 353.369 2.201 20 30 FEEDRO C[NH+]1CCC2(CCN(S(=O)(=O)c3c(F)cc(C#N)cc3F)CC2)CC1 ZINC000867618453 684333062 /nfs/dbraw/zinc/33/30/62/684333062.db2.gz DXLOFOISXRRLEN-UHFFFAOYSA-N 1 0 369.437 2.333 20 30 FEEDRO N#Cc1cc(F)cc(S(=O)(=O)N2CCC([C@H]3CCC[NH2+]CC3)CC2)c1 ZINC000923702406 684335367 /nfs/dbraw/zinc/33/53/67/684335367.db2.gz NNMUSPOMBUIJGQ-HNNXBMFYSA-N 1 0 365.474 2.488 20 30 FEEDRO C[C@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)CC[C@@H]1C[NH3+] ZINC000923704852 684336605 /nfs/dbraw/zinc/33/66/05/684336605.db2.gz UYKQCUARVQXVSF-WDEREUQCSA-N 1 0 361.389 2.182 20 30 FEEDRO C#CCN(C(=O)NCc1ccc(Br)cn1)C1CC[NH+](C)CC1 ZINC000923923195 684369796 /nfs/dbraw/zinc/36/97/96/684369796.db2.gz VKIMAWPGWOGQLB-UHFFFAOYSA-N 1 0 365.275 2.083 20 30 FEEDRO N#CCCN(C(=O)C[N@@H+]1CC[C@@H](C2OCCO2)C1)c1cccc(Cl)c1 ZINC000932008447 684388800 /nfs/dbraw/zinc/38/88/00/684388800.db2.gz RSWREOFIXRQFLB-CQSZACIVSA-N 1 0 363.845 2.281 20 30 FEEDRO C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)c3ccc(C#N)c(C(F)(F)F)c3)CC[C@@H]21 ZINC000867812929 684397353 /nfs/dbraw/zinc/39/73/53/684397353.db2.gz OEIAVHAOZLFXNT-DOMZBBRYSA-N 1 0 373.400 2.292 20 30 FEEDRO Cc1ccc(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)c(C#N)c1 ZINC000871806221 684858713 /nfs/dbraw/zinc/85/87/13/684858713.db2.gz ZCQBAONPNQLVFO-OLZOCXBDSA-N 1 0 361.389 2.015 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)NCCOC(F)(F)C(F)(F)F)CC1 ZINC000872880434 685028410 /nfs/dbraw/zinc/02/84/10/685028410.db2.gz FCNJRHBHMGHRJV-UHFFFAOYSA-N 1 0 359.339 2.498 20 30 FEEDRO C=CCC1(C(=O)N2CCC(C[N@@H+](CCO)C(C)C)CC2)CCOCC1 ZINC000910875077 685133411 /nfs/dbraw/zinc/13/34/11/685133411.db2.gz HPILFMBXOUDXAG-UHFFFAOYSA-N 1 0 352.519 2.301 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H](c1ccc(Cl)cc1)N1CCOCC1 ZINC000876741288 686258577 /nfs/dbraw/zinc/25/85/77/686258577.db2.gz QCDBGVWNKYJSKY-HOTGVXAUSA-N 1 0 372.296 2.299 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N1CCCN(c2cc(OC)cc(OC)c2)CC1 ZINC000876778231 686267204 /nfs/dbraw/zinc/26/72/04/686267204.db2.gz ZMPFHHFBDZDAOO-KRWDZBQOSA-N 1 0 367.877 2.212 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000876873668 686285555 /nfs/dbraw/zinc/28/55/55/686285555.db2.gz NOMYLEFOPRELQT-KGLIPLIRSA-N 1 0 351.882 2.180 20 30 FEEDRO C[NH+]1CCN(c2ccc(CNCc3cc(C#N)cnc3Cl)cn2)CC1 ZINC000876922410 686295747 /nfs/dbraw/zinc/29/57/47/686295747.db2.gz YFIGURIEVJFOLM-UHFFFAOYSA-N 1 0 356.861 2.043 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H]1CCCc2ccc(C(=O)OC)cc21 ZINC000876963717 686301626 /nfs/dbraw/zinc/30/16/26/686301626.db2.gz UGDZDZKQPNVDHZ-ZBFHGGJFSA-N 1 0 350.846 2.479 20 30 FEEDRO N#Cc1cnc(Cl)c(CNC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000877059101 686319768 /nfs/dbraw/zinc/31/97/68/686319768.db2.gz QOWASNVVNXOEQQ-LJQANCHMSA-N 1 0 356.857 2.333 20 30 FEEDRO O=C(C#CC1CC[NH2+]CC1)N1CCc2cc(F)cc(Br)c2C1 ZINC000877112093 686326646 /nfs/dbraw/zinc/32/66/46/686326646.db2.gz OWYNWFXPRHXAMD-UHFFFAOYSA-N 1 0 365.246 2.476 20 30 FEEDRO C=CCNC(=O)C[NH2+][C@@H]1CC[C@H]2[C@@H](CCCN2C(=O)OC(C)(C)C)C1 ZINC000877141289 686331142 /nfs/dbraw/zinc/33/11/42/686331142.db2.gz GOOZGTVUOAORFS-XHSDSOJGSA-N 1 0 351.491 2.446 20 30 FEEDRO O=C(C#CC1CC[NH2+]CC1)N[C@@H]1[C@H]2Cc3ccc(Br)cc3[C@@H]12 ZINC000877262177 686345188 /nfs/dbraw/zinc/34/51/88/686345188.db2.gz YORGERHIYCBNIX-CGTJXYLNSA-N 1 0 359.267 2.206 20 30 FEEDRO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+]C2CCN(c3ccccc3C#N)CC2)C1 ZINC000877682820 686436611 /nfs/dbraw/zinc/43/66/11/686436611.db2.gz UIZAUIZQFDICLL-ZWKOTPCHSA-N 1 0 361.511 2.472 20 30 FEEDRO C#CCOCC[N@@H+]1C[C@H](C(F)(F)F)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000880025994 686977949 /nfs/dbraw/zinc/97/79/49/686977949.db2.gz CUKKOAFOQKRKAF-STQMWFEESA-N 1 0 350.381 2.271 20 30 FEEDRO C[C@@H]1C[N@H+](C[C@@H](O)COc2ccc(C#N)cc2)CC[C@@H](C(F)(F)F)O1 ZINC000880050403 686986658 /nfs/dbraw/zinc/98/66/58/686986658.db2.gz BYTCEURTIANHDH-XPKDYRNWSA-N 1 0 358.360 2.340 20 30 FEEDRO COC(=O)C(C)(C)C[N@H+](CC(C)C)C[C@@H](O)CC1(C#N)CCOCC1 ZINC000880383653 687042595 /nfs/dbraw/zinc/04/25/95/687042595.db2.gz HRMRIGBVFNPDNY-INIZCTEOSA-N 1 0 354.491 2.215 20 30 FEEDRO C[NH+](C)CCC[C@@H]1CN(C(=O)Nc2cc(C#N)c(F)cc2F)CCO1 ZINC000880710920 687077164 /nfs/dbraw/zinc/07/71/64/687077164.db2.gz XRXBDWJXHCZJFZ-CYBMUJFWSA-N 1 0 352.385 2.411 20 30 FEEDRO C[C@H]1C[N@H+](CCCNC(=O)Nc2cc(C#N)c(F)cc2F)CCCO1 ZINC000880712514 687077451 /nfs/dbraw/zinc/07/74/51/687077451.db2.gz PONMFYLHOPPAIS-LBPRGKRZSA-N 1 0 352.385 2.459 20 30 FEEDRO N#Cc1cnc(NC2CC[NH+]([C@H]3CCOC3)CC2)c(Br)c1 ZINC000882115204 687306417 /nfs/dbraw/zinc/30/64/17/687306417.db2.gz WTCIFLZGKYAEFL-ZDUSSCGKSA-N 1 0 351.248 2.381 20 30 FEEDRO CCC[N@@H+]1CC[C@H](NC(=O)Nc2ccc(Br)c(C#N)n2)C1 ZINC000883116796 687569503 /nfs/dbraw/zinc/56/95/03/687569503.db2.gz GGFOWUQEBLLHFY-JTQLQIEISA-N 1 0 352.236 2.322 20 30 FEEDRO C=CCC[C@@H]([NH2+]Cc1ccc(S(=O)(=O)CCO)cc1)[C@@H]1CCCO1 ZINC000883219017 687589441 /nfs/dbraw/zinc/58/94/41/687589441.db2.gz LDPTXVQUYBBNJX-MSOLQXFVSA-N 1 0 353.484 2.056 20 30 FEEDRO C=CCCc1ccc(S(=O)(=O)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)cc1 ZINC000883467549 687636928 /nfs/dbraw/zinc/63/69/28/687636928.db2.gz RQEHFYGYCPDKFH-MOPGFXCFSA-N 1 0 364.511 2.322 20 30 FEEDRO [NH3+]CCN(CC(F)(F)F)S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000883472266 687640487 /nfs/dbraw/zinc/64/04/87/687640487.db2.gz XDZPPOACHAOMTP-UHFFFAOYSA-N 1 0 368.274 2.356 20 30 FEEDRO C[NH2+]C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000883473708 687640545 /nfs/dbraw/zinc/64/05/45/687640545.db2.gz JWFHOJRBMYJOLY-GFCCVEGCSA-N 1 0 361.389 2.340 20 30 FEEDRO N#C[C@H]1C[NH2+]CC12CC(C(=O)NC[C@@H](O)c1cc3ccccc3s1)C2 ZINC000884140254 687798825 /nfs/dbraw/zinc/79/88/25/687798825.db2.gz NZYPYDTWBSPWKE-UARSRXHTSA-N 1 0 355.463 2.190 20 30 FEEDRO N#C[C@H]1C[NH2+]CC12CC(C(=O)Nc1nc(CN3CCCCC3)cs1)C2 ZINC000884177605 687809136 /nfs/dbraw/zinc/80/91/36/687809136.db2.gz OOKKRLJZDGXYCJ-FVRSWCFKSA-N 1 0 359.499 2.207 20 30 FEEDRO C=CCCC(C)(C)CNC(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000884855677 687949254 /nfs/dbraw/zinc/94/92/54/687949254.db2.gz NHEYSDUTEKUGDR-OLZOCXBDSA-N 1 0 363.424 2.081 20 30 FEEDRO C=CC(C)(C)CCCNC(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000885095775 688015430 /nfs/dbraw/zinc/01/54/30/688015430.db2.gz AOQSDLCGXQOMPA-STQMWFEESA-N 1 0 363.424 2.081 20 30 FEEDRO C[NH+](C)CC(=O)N1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000885287637 688048301 /nfs/dbraw/zinc/04/83/01/688048301.db2.gz VHCOOOUIGWSUAJ-BQBZGAKWSA-N 1 0 354.241 2.177 20 30 FEEDRO N#CC1(C[C@H](O)CN2CC[NH+](CCCOCC(F)(F)F)CC2)CCC1 ZINC000885964642 688187564 /nfs/dbraw/zinc/18/75/64/688187564.db2.gz DMCXZSQOHIXBED-HNNXBMFYSA-N 1 0 363.424 2.018 20 30 FEEDRO CCC1([NH+]2CCC2)CCN(CCS(=O)(=O)c2cccc(C#N)c2)CC1 ZINC000886715963 688295150 /nfs/dbraw/zinc/29/51/50/688295150.db2.gz KNIQQPDNHHWLBF-UHFFFAOYSA-N 1 0 361.511 2.282 20 30 FEEDRO C=CCC1(O)CC[NH+]([C@H]2CN(C(=O)OC(C)(C)C)CC[C@@]2(C)O)CC1 ZINC000886778605 688309384 /nfs/dbraw/zinc/30/93/84/688309384.db2.gz JNWGAJWXALOKPA-MAUKXSAKSA-N 1 0 354.491 2.150 20 30 FEEDRO N#CCCc1ccc(S(=O)(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)cc1 ZINC000886888253 688333384 /nfs/dbraw/zinc/33/33/84/688333384.db2.gz XPQVIJZOTBBJNG-RBUKOAKNSA-N 1 0 355.463 2.177 20 30 FEEDRO C#CCC1([NH2+]CC(=O)N[C@H](C)Cc2c(F)cccc2F)CCOCC1 ZINC000887124694 688370371 /nfs/dbraw/zinc/37/03/71/688370371.db2.gz PAODTMZZZPVTBR-CQSZACIVSA-N 1 0 350.409 2.174 20 30 FEEDRO CN(Cc1cc(C#N)cs1)C(=O)[C@@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1 ZINC000887965638 688527710 /nfs/dbraw/zinc/52/77/10/688527710.db2.gz KPXCWSMBEBCPDQ-SJORKVTESA-N 1 0 357.483 2.047 20 30 FEEDRO C=C(Br)CNC(=O)N1CC[NH2+]C[C@H]1c1ccc(OC)cc1 ZINC000891444189 689063058 /nfs/dbraw/zinc/06/30/58/689063058.db2.gz FWGGFOOIZQVYKN-AWEZNQCLSA-N 1 0 354.248 2.260 20 30 FEEDRO N#Cc1ccc(N2CC[NH+](CCCOCC(F)(F)F)CC2)c(CO)c1 ZINC000891985260 689135726 /nfs/dbraw/zinc/13/57/26/689135726.db2.gz AHIUWRSSGMLNLT-UHFFFAOYSA-N 1 0 357.376 2.142 20 30 FEEDRO N#Cc1csc(CNC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000893989268 689444303 /nfs/dbraw/zinc/44/43/03/689444303.db2.gz NGXHCKMSFOBSML-UHFFFAOYSA-N 1 0 356.455 2.126 20 30 FEEDRO C[C@@H]1C[N@H+](CCCNC(=O)N(C)Cc2cc(C#N)cs2)CCCO1 ZINC000894448993 689533584 /nfs/dbraw/zinc/53/35/84/689533584.db2.gz RBYUCTLGNDAEII-CQSZACIVSA-N 1 0 350.488 2.262 20 30 FEEDRO CCO/C=C/[C@@](O)(C[NH2+]Cc1cnc2ccc(C#N)cn12)C(F)(F)F ZINC000895708971 689758072 /nfs/dbraw/zinc/75/80/72/689758072.db2.gz WUTLAVCDPQVRMX-LLYBFZRZSA-N 1 0 354.332 2.139 20 30 FEEDRO Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)NCc3nc(C#N)cs3)C2)cc1 ZINC000896140897 689825744 /nfs/dbraw/zinc/82/57/44/689825744.db2.gz JISVBRNMPMSMPF-HNNXBMFYSA-N 1 0 355.467 2.397 20 30 FEEDRO N#Cc1cnc(Cl)c(C[NH2+]CCN2Cc3ccccc3OCC2=O)c1 ZINC000896280823 689848925 /nfs/dbraw/zinc/84/89/25/689848925.db2.gz LNDRNJDLBKPIDE-UHFFFAOYSA-N 1 0 356.813 2.117 20 30 FEEDRO CCOC(=O)C1([C@H](C)[NH2+]Cc2cc(C#N)cnc2Cl)CCOCC1 ZINC000897740973 690073316 /nfs/dbraw/zinc/07/33/16/690073316.db2.gz KGTOGNLTUHDGLX-LBPRGKRZSA-N 1 0 351.834 2.445 20 30 FEEDRO COc1cc(C[NH2+][C@H]2CCN(c3cn[nH]c(=O)c3Cl)C2)ccc1C#N ZINC000898367636 690167808 /nfs/dbraw/zinc/16/78/08/690167808.db2.gz GBPGTWWUFVEUNC-ZDUSSCGKSA-N 1 0 359.817 2.084 20 30 FEEDRO N#Cc1ccccc1C(F)(F)C(=O)NCCCC[N@H+]1CCC[C@@H]1CO ZINC000901139261 690617562 /nfs/dbraw/zinc/61/75/62/690617562.db2.gz PIJDZXJUDRCIQB-OAHLLOKOSA-N 1 0 351.397 2.003 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)N(CC(=O)OC)Cc1cc(Cl)ccc1O ZINC000901327341 690636201 /nfs/dbraw/zinc/63/62/01/690636201.db2.gz MXYOBNYKYHQOMJ-UHFFFAOYSA-N 1 0 354.834 2.055 20 30 FEEDRO Cc1cc(C#N)cc(C)c1CS(=O)(=O)N1C[C@H]([NH3+])Cc2ccccc21 ZINC000903522366 690910325 /nfs/dbraw/zinc/91/03/25/690910325.db2.gz NITQJCPFDFLVOI-QGZVFWFLSA-N 1 0 355.463 2.395 20 30 FEEDRO N#CCc1ccccc1S(=O)(=O)N1C[C@H](C[NH3+])Cc2cc(F)ccc21 ZINC000903589838 690933870 /nfs/dbraw/zinc/93/38/70/690933870.db2.gz ZAACSAFZSKQTHS-ZDUSSCGKSA-N 1 0 359.426 2.218 20 30 FEEDRO N#Cc1cc(S(=O)(=O)N2CC[C@H]3CC[C@]32C[NH3+])ccc1C(F)(F)F ZINC000903590722 690933920 /nfs/dbraw/zinc/93/39/20/690933920.db2.gz YXCZWHYRGUMUSJ-RISCZKNCSA-N 1 0 359.373 2.079 20 30 FEEDRO Cn1cc(-c2noc(C3CC4(C3)C[NH2+]C[C@H]4C#N)n2)c(C(F)(F)F)n1 ZINC000904121289 691004882 /nfs/dbraw/zinc/00/48/82/691004882.db2.gz LNMVJJAVMZRHHI-ZYTOWTHASA-N 1 0 352.320 2.096 20 30 FEEDRO C[C@](O)(C[NH2+]CCn1ccc(C(F)(F)F)n1)C(F)(F)C(F)(F)F ZINC000905408583 691115756 /nfs/dbraw/zinc/11/57/56/691115756.db2.gz PXOQYYYDLTWMQY-QMMMGPOBSA-N 1 0 355.229 2.440 20 30 FEEDRO N#CC1(C[C@H](O)C[NH2+]C[C@H]2CCC[C@@H](C(F)(F)F)O2)CCOCC1 ZINC000905568128 691143176 /nfs/dbraw/zinc/14/31/76/691143176.db2.gz RMGBPPSLXAPFEF-MJBXVCDLSA-N 1 0 350.381 2.147 20 30 FEEDRO CC(C)(C)OC(=O)N1CCC([C@H](O)C[NH2+]Cc2nc(C#N)cs2)CC1 ZINC000905656509 691157698 /nfs/dbraw/zinc/15/76/98/691157698.db2.gz XCEWGDNKRASURR-CQSZACIVSA-N 1 0 366.487 2.112 20 30 FEEDRO COC1(C[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)CCCCCC1 ZINC000905699947 691164796 /nfs/dbraw/zinc/16/47/96/691164796.db2.gz OKRAMPGUFBVPIH-UHFFFAOYSA-N 1 0 351.472 2.056 20 30 FEEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@@H]1C[NH2+]CC1(C)C ZINC000906709260 691304919 /nfs/dbraw/zinc/30/49/19/691304919.db2.gz VOSSLLGSWKYWKO-IUODEOHRSA-N 1 0 360.483 2.134 20 30 FEEDRO CN(CC[NH+]1CCCC1)S(=O)(=O)c1ccc(Br)c(C#N)c1 ZINC000906911519 691342189 /nfs/dbraw/zinc/34/21/89/691342189.db2.gz IMHHWXFSBPTRBT-UHFFFAOYSA-N 1 0 372.288 2.037 20 30 FEEDRO CCCN(CC[NH+]1CCCCCC1)S(=O)(=O)c1ccc(C#N)cn1 ZINC000907194065 691419156 /nfs/dbraw/zinc/41/91/56/691419156.db2.gz GJPROPKUXCXMPV-UHFFFAOYSA-N 1 0 350.488 2.230 20 30 FEEDRO C=CCNc1ncc(C(=O)N[C@H]2CC[C@@H]([NH+]3CCN(C)CC3)CC2)s1 ZINC000907385239 691468741 /nfs/dbraw/zinc/46/87/41/691468741.db2.gz PMLHAQYEGANHHK-GASCZTMLSA-N 1 0 363.531 2.029 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2sc([C@H](C)OC)nc2C)c1C#N ZINC000535503792 694906303 /nfs/dbraw/zinc/90/63/03/694906303.db2.gz MKKQGGFTBOPYPA-JTQLQIEISA-N 1 0 362.459 2.158 20 30 FEEDRO N#Cc1c(Cl)nc(Cl)cc1C(F)(F)N1CC[C@@H]2[NH2+]CCO[C@@H]2C1 ZINC001164390807 718821556 /nfs/dbraw/zinc/82/15/56/718821556.db2.gz RGWPPWKFWWBZQR-WDEREUQCSA-N 1 0 363.195 2.372 20 30 FEEDRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nc(Cl)cc(C)c1C#N)CC2 ZINC001164686273 719700233 /nfs/dbraw/zinc/70/02/33/719700233.db2.gz YRJYIDPNVYJROL-UHFFFAOYSA-N 1 0 361.877 2.096 20 30 FEEDRO N#Cc1nc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)ccc1Cl ZINC001164870873 721054955 /nfs/dbraw/zinc/05/49/55/721054955.db2.gz WZIHLMPZWWJYTI-JKSUJKDBSA-N 1 0 369.856 2.481 20 30 FEEDRO N#Cc1c(Cl)ccnc1N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164871912 721065156 /nfs/dbraw/zinc/06/51/56/721065156.db2.gz ZQNFCZYMABWXIL-HOTGVXAUSA-N 1 0 369.856 2.481 20 30 FEEDRO Cc1cnc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)c(C=NO)c1 ZINC001164877038 721122658 /nfs/dbraw/zinc/12/26/58/721122658.db2.gz OFEXVUDMUYUOPJ-OALUTQOASA-N 1 0 367.453 2.073 20 30 FEEDRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4[nH]ccc5ncc(C#N)c4-5)C[C@@H]3C2)cn1 ZINC001164773337 721180747 /nfs/dbraw/zinc/18/07/47/721180747.db2.gz WHTHXEVHRNFIEB-WBVHZDCISA-N 1 0 361.453 2.126 20 30 FEEDRO COc1cc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)ncc1C#N ZINC001164897527 721510474 /nfs/dbraw/zinc/51/04/74/721510474.db2.gz FRHFPGRRXUPYGE-WMZOPIPTSA-N 1 0 368.412 2.443 20 30 FEEDRO N#Cc1nc(Cl)cnc1N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164897214 721519844 /nfs/dbraw/zinc/51/98/44/721519844.db2.gz FIXFYLQWBOOFMY-UKRRQHHQSA-N 1 0 373.819 2.483 20 30 FEEDRO COc1ccnc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c1C#N ZINC001164902676 721527180 /nfs/dbraw/zinc/52/71/80/721527180.db2.gz AYTRJPIUEHYCPQ-DOTOQJQBSA-N 1 0 368.412 2.443 20 30 FEEDRO N#Cc1cnc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)cn1 ZINC001164907484 721587541 /nfs/dbraw/zinc/58/75/41/721587541.db2.gz UFGCDWAOPMVGDY-SFHVURJKSA-N 1 0 370.407 2.481 20 30 FEEDRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2c1c(C#N)cnc2cnc(Cl)cc21 ZINC001164930447 721852672 /nfs/dbraw/zinc/85/26/72/721852672.db2.gz SATHLYRYTXCEAJ-DLBZAZTESA-N 1 0 370.888 2.369 20 30 FEEDRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2C(F)(F)c1nc(Cl)ccc1C#N ZINC001164928290 721865725 /nfs/dbraw/zinc/86/57/25/721865725.db2.gz YBIQKVKQBGVZQJ-UONOGXRCSA-N 1 0 369.847 2.366 20 30 FEEDRO Cc1nc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)ccc1C#N ZINC001164973152 722129450 /nfs/dbraw/zinc/12/94/50/722129450.db2.gz BARRXMNAXZPOGE-WOJBJXKFSA-N 1 0 363.465 2.384 20 30 FEEDRO C[C@H]1CC[N@H+](C)CCN1C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 ZINC000498758896 885703450 /nfs/dbraw/zinc/70/34/50/885703450.db2.gz GQJCZOBOXQYPBF-ZDUSSCGKSA-N 1 0 356.405 2.441 20 30 FEEDRO CO[C@H](C)c1nc(CN2CCC[N@H+](CCOCCC#N)CC2)cs1 ZINC000549470670 674043533 /nfs/dbraw/zinc/04/35/33/674043533.db2.gz DLXIDLFPXHATMP-OAHLLOKOSA-N 1 0 352.504 2.288 20 30 FEEDRO N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)n1 ZINC000518492981 539424662 /nfs/dbraw/zinc/42/46/62/539424662.db2.gz BFCKJFPRSCNRHG-ABAIWWIYSA-N 1 0 356.817 2.223 20 30 FEEDRO C=CCN1C(=O)c2ccc(C(=O)NCCC[N@H+]3CCCC[C@H]3C)cc2C1=O ZINC000008351450 539485339 /nfs/dbraw/zinc/48/53/39/539485339.db2.gz OCFNJXPDBQDNJO-OAHLLOKOSA-N 1 0 369.465 2.463 20 30 FEEDRO C=CCOc1ccc(C(=O)NC[C@H](C)N2CC[NH+](CC)CC2)cc1OC ZINC000046947924 540278676 /nfs/dbraw/zinc/27/86/76/540278676.db2.gz SDDZFRIJIDMNBA-INIZCTEOSA-N 1 0 361.486 2.016 20 30 FEEDRO Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000047144133 540292279 /nfs/dbraw/zinc/29/22/79/540292279.db2.gz WURHJDIFOGEYLB-CQSZACIVSA-N 1 0 368.485 2.141 20 30 FEEDRO CCC[N@H+](CCOc1ccc(S(N)(=O)=O)cc1)Cc1ccc(C#N)cc1 ZINC000047740031 540326407 /nfs/dbraw/zinc/32/64/07/540326407.db2.gz SKCNAOWEPAFDNZ-UHFFFAOYSA-N 1 0 373.478 2.497 20 30 FEEDRO CCN1CC[NH+](CCCCNC(=O)CSCc2ccc(C#N)cc2)CC1 ZINC000048132458 540346794 /nfs/dbraw/zinc/34/67/94/540346794.db2.gz VGXCABQYHACTAL-UHFFFAOYSA-N 1 0 374.554 2.325 20 30 FEEDRO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](C)Cc1cccc(C#N)c1)cc2=O ZINC000052580244 540474352 /nfs/dbraw/zinc/47/43/52/540474352.db2.gz MFOHEAJLRIULEZ-UHFFFAOYSA-N 1 0 365.393 2.115 20 30 FEEDRO C=CCN1C(=O)c2ccc(C(=O)N[C@H](C)C[N@@H+]3CCC[C@@H](C)C3)cc2C1=O ZINC000055402743 540651243 /nfs/dbraw/zinc/65/12/43/540651243.db2.gz DEIKHNQZDSXXNY-HUUCEWRRSA-N 1 0 369.465 2.319 20 30 FEEDRO C[NH+]1CCN(Cc2cccc(NC(=O)COc3ccc(C#N)cc3)c2)CC1 ZINC000057053962 540765389 /nfs/dbraw/zinc/76/53/89/540765389.db2.gz VQIAVMWBKOOIGU-UHFFFAOYSA-N 1 0 364.449 2.323 20 30 FEEDRO Cc1cccc(N2CC[NH+](CCCNC(=O)N3CCC(C#N)CC3)CC2)c1 ZINC000057993771 540826523 /nfs/dbraw/zinc/82/65/23/540826523.db2.gz FOIDOMKIBXLZHO-UHFFFAOYSA-N 1 0 369.513 2.452 20 30 FEEDRO COc1ccc(C#N)cc1NC(=O)C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000064764281 541217510 /nfs/dbraw/zinc/21/75/10/541217510.db2.gz RLJUOFCESFJRHZ-UHFFFAOYSA-N 1 0 372.469 2.276 20 30 FEEDRO C=CCN(CC=C)C(=O)C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000064270145 541198647 /nfs/dbraw/zinc/19/86/47/541198647.db2.gz PONPYXDHXBGTOH-UHFFFAOYSA-N 1 0 359.495 2.375 20 30 FEEDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2cccc(OCCCC#N)c2)C1 ZINC000065638736 541250550 /nfs/dbraw/zinc/25/05/50/541250550.db2.gz IOFFOUAJFGVGRF-MRXNPFEDSA-N 1 0 372.469 2.154 20 30 FEEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)CCNC(=O)C(C)(C)C ZINC000065930694 541272326 /nfs/dbraw/zinc/27/23/26/541272326.db2.gz VKZWLQHGXMWUBX-UHFFFAOYSA-N 1 0 358.486 2.001 20 30 FEEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)CCOCC(F)(F)F ZINC000065930642 541272470 /nfs/dbraw/zinc/27/24/70/541272470.db2.gz UKOYWRNTBPPBOI-UHFFFAOYSA-N 1 0 357.376 2.417 20 30 FEEDRO C[NH+](C)CCN(Cc1cccc(F)c1)S(=O)(=O)c1cccc(C#N)c1 ZINC000065972375 541275432 /nfs/dbraw/zinc/27/54/32/541275432.db2.gz WSNWUZYCCNVMEG-UHFFFAOYSA-N 1 0 361.442 2.450 20 30 FEEDRO C=CCCO[C@H](C)C(=O)NCCC[N@@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000066313962 541300382 /nfs/dbraw/zinc/30/03/82/541300382.db2.gz UNXNJMHUZZJFCB-UYAOXDASSA-N 1 0 359.514 2.463 20 30 FEEDRO CCN1CCN(C(=O)CC2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000066568522 541337629 /nfs/dbraw/zinc/33/76/29/541337629.db2.gz SFNZWGCWJTXSKH-UHFFFAOYSA-N 1 0 354.498 2.324 20 30 FEEDRO CC1CCC(N2C[C@H](C(=O)N(CCC#N)CCC[NH+](C)C)CC2=O)CC1 ZINC000066829381 541376437 /nfs/dbraw/zinc/37/64/37/541376437.db2.gz RQIOLQYXMQGQOT-LXPRWKDFSA-N 1 0 362.518 2.108 20 30 FEEDRO N#Cc1cccnc1N1CC[NH+](CCC(=O)NCC2CCCCC2)CC1 ZINC000066870883 541383690 /nfs/dbraw/zinc/38/36/90/541383690.db2.gz DBLVWYXDZLGGOX-UHFFFAOYSA-N 1 0 355.486 2.162 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)Nc2ccccc2C(=O)NCc2ccco2)CC1 ZINC000067143916 541424210 /nfs/dbraw/zinc/42/42/10/541424210.db2.gz MGCBYNWKKXUSCV-UHFFFAOYSA-N 1 0 365.433 2.493 20 30 FEEDRO CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000067377015 541452139 /nfs/dbraw/zinc/45/21/39/541452139.db2.gz JOEQRUFOWFLWOS-UHFFFAOYSA-N 1 0 372.469 2.086 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)Nc2cccc(NC(=O)OCCOC)c2)CC1 ZINC000067860471 541521754 /nfs/dbraw/zinc/52/17/54/541521754.db2.gz FYIHBTDNECWUTF-UHFFFAOYSA-N 1 0 359.426 2.165 20 30 FEEDRO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)COc2ccccc2C#N)cc1 ZINC000067869979 541522567 /nfs/dbraw/zinc/52/25/67/541522567.db2.gz DKIGLGWQOCGIGT-UHFFFAOYSA-N 1 0 366.421 2.466 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N2CCC(NC(=O)C3CCCCC3)CC2)CC1 ZINC000068279578 541571342 /nfs/dbraw/zinc/57/13/42/541571342.db2.gz TUGFRJLBYQNJGN-UHFFFAOYSA-N 1 0 359.514 2.019 20 30 FEEDRO CC(=O)N[C@@H](CC(=O)N(CCC#N)CCC[NH+](C)C)c1ccc(C)cc1 ZINC000069576474 541698449 /nfs/dbraw/zinc/69/84/49/541698449.db2.gz JBMXOPWLYKFOAH-IBGZPJMESA-N 1 0 358.486 2.256 20 30 FEEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(S(=O)(=O)N(CC)CC)cc1 ZINC000070753100 541740744 /nfs/dbraw/zinc/74/07/44/541740744.db2.gz ROPQYJHBWMOODN-HUUCEWRRSA-N 1 0 367.515 2.058 20 30 FEEDRO C=CC[C@H]1N(C(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)CCCC1(C)C ZINC000550838870 674113986 /nfs/dbraw/zinc/11/39/86/674113986.db2.gz MDLZQBZBQQCGST-BEFAXECRSA-N 1 0 367.559 2.133 20 30 FEEDRO C=CCSc1ccccc1NC(=O)CN1CC[NH+]([C@@H](CC)CO)CC1 ZINC000072798322 541867019 /nfs/dbraw/zinc/86/70/19/541867019.db2.gz OOSQOKXTZYVMMW-INIZCTEOSA-N 1 0 363.527 2.292 20 30 FEEDRO C[NH+](C)C1(CNC(=O)C(=O)Nc2scc(C(C)(C)C)c2C#N)CCC1 ZINC000551056883 674122270 /nfs/dbraw/zinc/12/22/70/674122270.db2.gz IDVWUKZPBNBTEX-UHFFFAOYSA-N 1 0 362.499 2.456 20 30 FEEDRO N#CCCN(CCC#N)C(=O)C[N@@H+](CCO)[C@@H]1CCCc2ccccc21 ZINC000074312282 542067772 /nfs/dbraw/zinc/06/77/72/542067772.db2.gz WFSLWOVFTOWZDM-LJQANCHMSA-N 1 0 354.454 2.014 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1CCSCC[C@H]1C)C(C)C ZINC000551221448 674132528 /nfs/dbraw/zinc/13/25/28/674132528.db2.gz IUJDSAPFHGMYOL-IAGOWNOFSA-N 1 0 367.559 2.155 20 30 FEEDRO C=CCN(CCc1ccccc1)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000074656845 542108204 /nfs/dbraw/zinc/10/82/04/542108204.db2.gz DPPMISNZQZHMED-IBGZPJMESA-N 1 0 358.530 2.310 20 30 FEEDRO CC[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)CC1CCN(c2ccccn2)CC1 ZINC000076108501 542234191 /nfs/dbraw/zinc/23/41/91/542234191.db2.gz FPBXCIUTGZLCEX-NRFANRHFSA-N 1 0 369.513 2.428 20 30 FEEDRO C=CCN1CC[C@H]([NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)CC2(C)C)C1=O ZINC000801586191 674138319 /nfs/dbraw/zinc/13/83/19/674138319.db2.gz UYQIXYIKZPDIMP-LSDHHAIUSA-N 1 0 351.491 2.399 20 30 FEEDRO C#CCOc1cccc(NC(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)c1 ZINC000077465967 542385226 /nfs/dbraw/zinc/38/52/26/542385226.db2.gz HTYIJJQSEVMKLB-INIZCTEOSA-N 1 0 357.454 2.321 20 30 FEEDRO COc1cc(C[NH2+]C2CCN(CC#N)CC2)cc(Br)c1O ZINC000080201283 542574832 /nfs/dbraw/zinc/57/48/32/542574832.db2.gz WKQVIWRATSTWSQ-UHFFFAOYSA-N 1 0 354.248 2.241 20 30 FEEDRO CNC(=O)[C@@H](C)C[N@H+](C)CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1 ZINC000081576429 542665871 /nfs/dbraw/zinc/66/58/71/542665871.db2.gz XWVYVKLXDMEMSP-AWEZNQCLSA-N 1 0 364.877 2.209 20 30 FEEDRO CNC(=O)[C@H](C)C[N@H+](C)CC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000081525718 542663203 /nfs/dbraw/zinc/66/32/03/542663203.db2.gz DFKBFVHCEZDKNI-KGLIPLIRSA-N 1 0 362.499 2.333 20 30 FEEDRO COc1cc(CNC(=O)C#Cc2ccccc2)ccc1OCC[NH+](C)C ZINC000081626362 542670007 /nfs/dbraw/zinc/67/00/07/542670007.db2.gz PIBOZACMUGEZDG-UHFFFAOYSA-N 1 0 352.434 2.304 20 30 FEEDRO CCNC(=O)c1cccc(CNC(=[NH2+])N[C@H]2CCOc3ccccc32)c1 ZINC000083032626 542690279 /nfs/dbraw/zinc/69/02/79/542690279.db2.gz YYCGPQZTZTWUND-KRWDZBQOSA-N 1 0 352.438 2.364 20 30 FEEDRO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCC(c2nnc[nH]2)CC1 ZINC000083424461 542697498 /nfs/dbraw/zinc/69/74/98/542697498.db2.gz KPIJBVUVWLUMMG-HNNXBMFYSA-N 1 0 352.442 2.319 20 30 FEEDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)Cc2cccc(OCC#N)c2)[C@H](C)C1 ZINC000089770595 542770530 /nfs/dbraw/zinc/77/05/30/542770530.db2.gz FTYQMZBEEIRKPQ-YLJYHZDGSA-N 1 0 373.497 2.385 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N(CC(=O)OC)[C@@H](CC)c2ccccc2)CC1 ZINC000090687129 542788615 /nfs/dbraw/zinc/78/86/15/542788615.db2.gz HYSASNMDCLXELI-IBGZPJMESA-N 1 0 356.466 2.485 20 30 FEEDRO COc1ccccc1C(C)(C)[NH2+]CC(=O)N1CCN([C@H](C#N)C(C)C)CC1 ZINC000091618497 542816071 /nfs/dbraw/zinc/81/60/71/542816071.db2.gz OVPNBBZGFVCHOB-GOSISDBHSA-N 1 0 372.513 2.212 20 30 FEEDRO CNC(=O)[C@H]1CCC[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000093360548 542928788 /nfs/dbraw/zinc/92/87/88/542928788.db2.gz KPZHKEXOZYOUOC-KRWDZBQOSA-N 1 0 351.454 2.422 20 30 FEEDRO CNC(=O)[C@@H]1CCC[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000093360547 542928853 /nfs/dbraw/zinc/92/88/53/542928853.db2.gz KPZHKEXOZYOUOC-QGZVFWFLSA-N 1 0 351.454 2.422 20 30 FEEDRO CCN(CCC#N)C(=O)C[NH+]1CCC(C(=O)Nc2ccc(F)cc2)CC1 ZINC000101916928 543049174 /nfs/dbraw/zinc/04/91/74/543049174.db2.gz XJFMYUGIWSCKSI-UHFFFAOYSA-N 1 0 360.433 2.238 20 30 FEEDRO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)CCCc1cc(-c2ccccc2)n[nH]1 ZINC000103474863 543109319 /nfs/dbraw/zinc/10/93/19/543109319.db2.gz UBZQZDKZZIXHMY-OAHLLOKOSA-N 1 0 369.469 2.341 20 30 FEEDRO C[NH+]=C(NCc1ccco1)NC[C@@H](c1cccc(F)c1)N1CCOCC1 ZINC000103338147 543104286 /nfs/dbraw/zinc/10/42/86/543104286.db2.gz PPKNDAXUYDRIGQ-SFHVURJKSA-N 1 0 360.433 2.157 20 30 FEEDRO CO/N=C/c1ccc(C(=O)N2CCN(c3cc(OC)cc[nH+]3)CC2)cc1 ZINC000104516324 543133294 /nfs/dbraw/zinc/13/32/94/543133294.db2.gz PVLDPWBZEZJGPL-KGENOOAVSA-N 1 0 354.410 2.033 20 30 FEEDRO COc1ccc(CCNC(=[NH2+])NCCCn2nc(C)cc2C)cc1OC ZINC000104154103 543125285 /nfs/dbraw/zinc/12/52/85/543125285.db2.gz PWPIXIRTAKERBL-UHFFFAOYSA-N 1 0 359.474 2.054 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)CSc2nnnn2C2CCCC2)CC1 ZINC000106037104 543186344 /nfs/dbraw/zinc/18/63/44/543186344.db2.gz HHYPGJUNRLWZRQ-UHFFFAOYSA-N 1 0 364.519 2.037 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(OC(F)F)cc2)CC1 ZINC000106349254 543224677 /nfs/dbraw/zinc/22/46/77/543224677.db2.gz QAOCLCLWTMZYJE-UHFFFAOYSA-N 1 0 367.396 2.383 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc3ncccc3c2)CC1 ZINC000106349328 543224743 /nfs/dbraw/zinc/22/47/43/543224743.db2.gz HAHLGQBARAAGJJ-UHFFFAOYSA-N 1 0 352.438 2.330 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(N(CC)CC)nc2)CC1 ZINC000106349135 543224779 /nfs/dbraw/zinc/22/47/79/543224779.db2.gz KJICDURIEMWLJC-UHFFFAOYSA-N 1 0 373.501 2.023 20 30 FEEDRO CC(C)[N@@H+](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)C[C@H](C)O ZINC000107041970 543260131 /nfs/dbraw/zinc/26/01/31/543260131.db2.gz CKRHKAIIDZWFNI-AWEZNQCLSA-N 1 0 356.388 2.264 20 30 FEEDRO C#CCOc1cccc(NC(=O)C(=O)NCCCC[NH+]2CCC(C)CC2)c1 ZINC000108606903 543297085 /nfs/dbraw/zinc/29/70/85/543297085.db2.gz OFLJHTCFPRBTLC-UHFFFAOYSA-N 1 0 371.481 2.265 20 30 FEEDRO CC[NH+]1CCC(NC(=O)C(=O)Nc2ccccc2SC[C@@H](C)C#N)CC1 ZINC000108604841 543297443 /nfs/dbraw/zinc/29/74/43/543297443.db2.gz SURDMRRPMBYGIE-AWEZNQCLSA-N 1 0 374.510 2.477 20 30 FEEDRO C[C@@H](NC(=O)C1(C#N)CCOCC1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000109142225 543315536 /nfs/dbraw/zinc/31/55/36/543315536.db2.gz SLMPRNLHCQLYPZ-OAHLLOKOSA-N 1 0 374.460 2.075 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C)cc2)CC1 ZINC000109215667 543318176 /nfs/dbraw/zinc/31/81/76/543318176.db2.gz IZHIGVYZSYYJAN-GOSISDBHSA-N 1 0 371.506 2.180 20 30 FEEDRO CNC(=O)[C@@H]1CCC[N@H+](CC(=O)N(CCC#N)c2cccc(C)c2C)C1 ZINC000111265904 543390537 /nfs/dbraw/zinc/39/05/37/543390537.db2.gz QSEUYRYKQZTSBW-QGZVFWFLSA-N 1 0 356.470 2.008 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Cn1cnc2ccccc2c1=O)C(C)C ZINC000112919826 543468401 /nfs/dbraw/zinc/46/84/01/543468401.db2.gz FXHZSQMVPNNUFM-LJQANCHMSA-N 1 0 368.481 2.211 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1cc2c([nH]c1=O)CCCC2=O)C(C)C ZINC000112919885 543468608 /nfs/dbraw/zinc/46/86/08/543468608.db2.gz MOSZROQYRBVXPT-SFHVURJKSA-N 1 0 371.481 2.322 20 30 FEEDRO C#CCCOc1ccc(C[NH2+]Cc2cccc(S(=O)(=O)NC)c2)cc1 ZINC000113326396 543483973 /nfs/dbraw/zinc/48/39/73/543483973.db2.gz KWOUXMXRJNKTCX-UHFFFAOYSA-N 1 0 358.463 2.287 20 30 FEEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+](C)CC(C)(C)O)c1C#N ZINC000114728640 543533967 /nfs/dbraw/zinc/53/39/67/543533967.db2.gz GDFADAIIVASBBI-UHFFFAOYSA-N 1 0 358.442 2.259 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCN(c3cccc(OC)c3)C2)CC1 ZINC000117180216 543624798 /nfs/dbraw/zinc/62/47/98/543624798.db2.gz JHTDMLIDFRNJSN-GOSISDBHSA-N 1 0 355.482 2.125 20 30 FEEDRO CCN(CC#N)CC(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCCC1 ZINC000118001944 543643262 /nfs/dbraw/zinc/64/32/62/543643262.db2.gz CNKHQEVMOMVIQX-IBGZPJMESA-N 1 0 358.486 2.184 20 30 FEEDRO COCCOC1CC[NH+]([C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)CC1 ZINC000116885043 543618115 /nfs/dbraw/zinc/61/81/15/543618115.db2.gz UUYQIMLSJKOGIO-GNZRSQJKSA-N 1 0 365.518 2.433 20 30 FEEDRO C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CCCN(C(=O)C2CC2)CC1 ZINC000121478685 543694919 /nfs/dbraw/zinc/69/49/19/543694919.db2.gz KXXAKYTYHDTQHZ-KRWDZBQOSA-N 1 0 368.481 2.266 20 30 FEEDRO CC(C)NC(=O)CN1CCN(Cc2cccc(OCCCC#N)c2)CC1 ZINC000119582594 543669183 /nfs/dbraw/zinc/66/91/83/543669183.db2.gz OBTTZQMFBOEODZ-UHFFFAOYSA-N 1 0 358.486 2.011 20 30 FEEDRO CC[N@H+](CCC(=O)OC)CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000119919176 543673264 /nfs/dbraw/zinc/67/32/64/543673264.db2.gz AQLPKQITKDSIIZ-UHFFFAOYSA-N 1 0 370.371 2.058 20 30 FEEDRO CO/N=C/c1ccc(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000122073093 543703176 /nfs/dbraw/zinc/70/31/76/543703176.db2.gz ANJVZFRGUPXDBD-ZIPUBWIGSA-N 1 0 359.470 2.165 20 30 FEEDRO CCc1nc(-c2ccc(C(=O)N(CCC#N)CCC[NH+](C)C)cc2)n[nH]1 ZINC000123535365 543767875 /nfs/dbraw/zinc/76/78/75/543767875.db2.gz SFFHAEFHBCQXQD-UHFFFAOYSA-N 1 0 354.458 2.342 20 30 FEEDRO Cc1cccc(S(=O)(=O)NC2CC[NH+](CCOC(C)C)CC2)c1C#N ZINC000124451035 543822733 /nfs/dbraw/zinc/82/27/33/543822733.db2.gz GBDKQYPXMZMSAN-UHFFFAOYSA-N 1 0 365.499 2.034 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)NC[C@](C)(O)c2ccccc2Cl)CC1 ZINC000124463168 543823696 /nfs/dbraw/zinc/82/36/96/543823696.db2.gz XGKPKILNYHBTHZ-SFHVURJKSA-N 1 0 351.878 2.497 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc3c(c2)N(CC)CC3)CC1 ZINC000124539961 543828280 /nfs/dbraw/zinc/82/82/80/543828280.db2.gz OGXCMZJDSSWGLS-UHFFFAOYSA-N 1 0 370.497 2.164 20 30 FEEDRO CC[NH+](CC)CC(=O)NCCCc1nn(-c2ccc(C)cc2)c(N)c1C#N ZINC000125083540 543859777 /nfs/dbraw/zinc/85/97/77/543859777.db2.gz BTAUNPVVKQZIGP-UHFFFAOYSA-N 1 0 368.485 2.025 20 30 FEEDRO COc1cc(C#N)ccc1OCC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000126431413 543935356 /nfs/dbraw/zinc/93/53/56/543935356.db2.gz VMTFVTDKUSDWLX-FUHWJXTLSA-N 1 0 369.465 2.421 20 30 FEEDRO O=C(C#Cc1ccc2c(c1)OCO2)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000126552080 543942906 /nfs/dbraw/zinc/94/29/06/543942906.db2.gz NDUINDVUACONTL-SJLPKXTDSA-N 1 0 352.434 2.242 20 30 FEEDRO N#Cc1c2c(sc1NC(=O)CCSc1nc(N)cc(N)[nH+]1)CCC2 ZINC000126725476 543953393 /nfs/dbraw/zinc/95/33/93/543953393.db2.gz VPLKMFUHNFUBAY-UHFFFAOYSA-N 1 0 360.468 2.184 20 30 FEEDRO C=CCC[C@H](CC)[NH2+]Cc1ccccc1S(=O)(=O)N1CCN(C)CC1 ZINC000127804022 544014945 /nfs/dbraw/zinc/01/49/45/544014945.db2.gz YGYZJIBYUKAXSK-SFHVURJKSA-N 1 0 365.543 2.457 20 30 FEEDRO CN(Cc1ccc(C#N)cc1)C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000127475448 543995342 /nfs/dbraw/zinc/99/53/42/543995342.db2.gz VGBANBIMBQIKJQ-UHFFFAOYSA-N 1 0 369.513 2.258 20 30 FEEDRO CC[C@H](CC#N)NC(=O)C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000128335538 544047142 /nfs/dbraw/zinc/04/71/42/544047142.db2.gz NQONKFGGQKBBNH-MRXNPFEDSA-N 1 0 374.510 2.025 20 30 FEEDRO C[C@H](c1ccc(F)cc1F)N1CC[NH+](CCC(=O)N(C)CCC#N)CC1 ZINC000131488674 544191869 /nfs/dbraw/zinc/19/18/69/544191869.db2.gz JLPWYBOBJFSZRK-OAHLLOKOSA-N 1 0 364.440 2.406 20 30 FEEDRO CC[NH+](CC)CCOc1ccccc1NC(=O)C(=O)N(C)[C@@H](C)CC#N ZINC000132146079 544220663 /nfs/dbraw/zinc/22/06/63/544220663.db2.gz KACDOBBUNQXJGQ-HNNXBMFYSA-N 1 0 360.458 2.106 20 30 FEEDRO Cc1ccc(NC(=O)C(=O)N(CCC#N)CC2CC2)c(OCC[NH+](C)C)c1 ZINC000132621060 544238483 /nfs/dbraw/zinc/23/84/83/544238483.db2.gz KQUVFDKRISFMTE-UHFFFAOYSA-N 1 0 372.469 2.026 20 30 FEEDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1ccc(Cl)c(C#N)c1 ZINC000133283287 544263216 /nfs/dbraw/zinc/26/32/16/544263216.db2.gz GTKJYGGXNSGIHV-CABCVRRESA-N 1 0 360.845 2.235 20 30 FEEDRO C=CCC[C@@H](O)C[NH+]1CCN(Cc2cc(OC)c(OC)c(OC)c2)CC1 ZINC000133093142 544256038 /nfs/dbraw/zinc/25/60/38/544256038.db2.gz WPNXQPBOSYEMTH-QGZVFWFLSA-N 1 0 364.486 2.157 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)NC2CCN(C(=O)Nc3ccccc3)CC2)CC1 ZINC000138287672 544395183 /nfs/dbraw/zinc/39/51/83/544395183.db2.gz XMJFHLJYWCMGRD-UHFFFAOYSA-N 1 0 368.481 2.144 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N2C[C@@H](C(=O)OC)C[C@@H](c3ccccc3)C2)CC1 ZINC000151413377 544537866 /nfs/dbraw/zinc/53/78/66/544537866.db2.gz HAAOLQBZPVUJAS-UXHICEINSA-N 1 0 368.477 2.137 20 30 FEEDRO C[C@H]1CCC[N@@H+](C(C)(C)CNS(=O)(=O)c2ccc(C#N)cc2F)C1 ZINC000151097225 544504759 /nfs/dbraw/zinc/50/47/59/544504759.db2.gz QPIHPZBXMORLIS-ZDUSSCGKSA-N 1 0 353.463 2.486 20 30 FEEDRO CC(C)(Oc1ccc(C#N)cc1)C(=O)NCCCC[N@@H+]1CCC[C@H]1CO ZINC000152158418 544620334 /nfs/dbraw/zinc/62/03/34/544620334.db2.gz PFFOMGADCCHFJT-KRWDZBQOSA-N 1 0 359.470 2.069 20 30 FEEDRO C=C(C)CN1CCC([NH2+][C@H](C)c2cccc(S(=O)(=O)NC)c2)CC1 ZINC000153003990 544721654 /nfs/dbraw/zinc/72/16/54/544721654.db2.gz SXCCOJNKJKRHOG-OAHLLOKOSA-N 1 0 351.516 2.286 20 30 FEEDRO C[NH+](C)C[C@@](C)(O)CNC(=O)c1cccc(Nc2ccc(C#N)cc2)c1 ZINC000152833116 544700848 /nfs/dbraw/zinc/70/08/48/544700848.db2.gz IEUQHMUHGYWBMF-FQEVSTJZSA-N 1 0 352.438 2.344 20 30 FEEDRO N#Cc1cccnc1-n1cc(NC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)cn1 ZINC000184577802 327873858 /nfs/dbraw/zinc/87/38/58/327873858.db2.gz BPHLLWXQJWGENF-QGZVFWFLSA-N 1 0 365.441 2.231 20 30 FEEDRO CC(C)[C@H]([NH2+]CCOc1cccc(C#N)c1)c1nc(-c2nc[nH]n2)no1 ZINC000184865950 327886346 /nfs/dbraw/zinc/88/63/46/327886346.db2.gz BRLRYIHHYSNWKY-AWEZNQCLSA-N 1 0 353.386 2.092 20 30 FEEDRO CCC(CC)[C@H](CNS(=O)(=O)c1ccc(C#N)cc1OC)[NH+](C)C ZINC000188209259 328073575 /nfs/dbraw/zinc/07/35/75/328073575.db2.gz HXKFYPFGSZTIQS-HNNXBMFYSA-N 1 0 353.488 2.212 20 30 FEEDRO CCCC[NH+]1CCC(NC(=O)C2CCN(c3oc(C)nc3C#N)CC2)CC1 ZINC000189264000 328137942 /nfs/dbraw/zinc/13/79/42/328137942.db2.gz MYTRSGRDFKSAOZ-UHFFFAOYSA-N 1 0 373.501 2.452 20 30 FEEDRO CCN(CCC[NH+](C)C)C(=O)C(=O)Nc1cc(C#N)ccc1OC(C)C ZINC000189811568 328169275 /nfs/dbraw/zinc/16/92/75/328169275.db2.gz NKTZCXVQTVMIEG-UHFFFAOYSA-N 1 0 360.458 2.084 20 30 FEEDRO COC(=O)c1ccc(C[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 ZINC000190838459 328235246 /nfs/dbraw/zinc/23/52/46/328235246.db2.gz XFROVIVZMKPQHY-LJQANCHMSA-N 1 0 363.417 2.236 20 30 FEEDRO C[C@H](NC(=O)C(=O)Nc1ccc(C#N)cc1)[C@H](c1ccccc1)[NH+](C)C ZINC000191254853 328256678 /nfs/dbraw/zinc/25/66/78/328256678.db2.gz QRKMUKZQWJZNCZ-KBXCAEBGSA-N 1 0 350.422 2.304 20 30 FEEDRO C[C@@H]([NH2+]C[C@H](O)COc1ccc(C#N)cc1)c1ccc(-n2cncn2)cc1 ZINC000012900123 324373317 /nfs/dbraw/zinc/37/33/17/324373317.db2.gz NHDJXRCRIOPCQH-BEFAXECRSA-N 1 0 363.421 2.229 20 30 FEEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000016102391 324384956 /nfs/dbraw/zinc/38/49/56/324384956.db2.gz LIFRGCIHFNLHQA-UHFFFAOYSA-N 1 0 366.465 2.174 20 30 FEEDRO N#Cc1ccccc1N1CCCN(C(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000045410062 324577316 /nfs/dbraw/zinc/57/73/16/324577316.db2.gz JZGHZQBWAPHPHG-UHFFFAOYSA-N 1 0 367.497 2.407 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000055279604 324775394 /nfs/dbraw/zinc/77/53/94/324775394.db2.gz OKLWMZPRCUUUIM-UHFFFAOYSA-N 1 0 361.442 2.450 20 30 FEEDRO Cc1ccc(C#N)cc1NC(=O)C(=O)N[C@H](C)C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000057677627 324830133 /nfs/dbraw/zinc/83/01/33/324830133.db2.gz DCHSJRJEJMOOMZ-OFQRWUPVSA-N 1 0 356.470 2.288 20 30 FEEDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1cc(C#N)ccc1Cl ZINC000088771281 325300828 /nfs/dbraw/zinc/30/08/28/325300828.db2.gz FUGRKASNJJSLIM-CHWSQXEVSA-N 1 0 362.861 2.387 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)c1C#N ZINC000089663693 325325930 /nfs/dbraw/zinc/32/59/30/325325930.db2.gz CDNQHEFTNIIPMK-NWDGAFQWSA-N 1 0 359.380 2.454 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)C(C)(C)c2ccc(OC)cc2)c1C#N ZINC000089675113 325326776 /nfs/dbraw/zinc/32/67/76/325326776.db2.gz SXIDQOMHCIBALC-UHFFFAOYSA-N 1 0 355.442 2.358 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2cn(-c3ccccc3)nc2C)c1C#N ZINC000089675148 325326785 /nfs/dbraw/zinc/32/67/85/325326785.db2.gz WXTHDFDROLTODA-UHFFFAOYSA-N 1 0 363.425 2.180 20 30 FEEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N(CC(C)C)C1CC[NH+](C)CC1 ZINC000101693185 325478085 /nfs/dbraw/zinc/47/80/85/325478085.db2.gz PWNYOYUKGPIORJ-UHFFFAOYSA-N 1 0 372.513 2.375 20 30 FEEDRO N#Cc1cc(NC(=O)C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)ccc1F ZINC000107874169 325636654 /nfs/dbraw/zinc/63/66/54/325636654.db2.gz RHGDIISEDJUVAF-INIZCTEOSA-N 1 0 358.417 2.113 20 30 FEEDRO CCCC[N@H+](C)CC1CCN(C(=O)C(=O)Nc2cccc(C#N)c2)CC1 ZINC000118093030 326079665 /nfs/dbraw/zinc/07/96/65/326079665.db2.gz YHNJVCJYLCPFHC-UHFFFAOYSA-N 1 0 356.470 2.467 20 30 FEEDRO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2ccc(OC(C)C)c(C#N)c2)C1 ZINC000119008878 326118291 /nfs/dbraw/zinc/11/82/91/326118291.db2.gz PFIDMOWRRDDTES-OAHLLOKOSA-N 1 0 372.469 2.084 20 30 FEEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)[C@H](C)C1 ZINC000119708293 326189756 /nfs/dbraw/zinc/18/97/56/326189756.db2.gz HVCZSYUCBRBEDD-MLGOLLRUSA-N 1 0 362.861 2.339 20 30 FEEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000120467301 326261022 /nfs/dbraw/zinc/26/10/22/326261022.db2.gz CJNVIBSBVHAUNR-HOCLYGCPSA-N 1 0 372.469 2.225 20 30 FEEDRO C[NH2+]C[C@H]1CCCN(S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)C1 ZINC000122600476 326403004 /nfs/dbraw/zinc/40/30/04/326403004.db2.gz CRDRPDQAUUJKTH-LLVKDONJSA-N 1 0 361.389 2.197 20 30 FEEDRO Cc1ccc(C#N)cc1NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccccc1 ZINC000125566857 326473997 /nfs/dbraw/zinc/47/39/97/326473997.db2.gz JZFOCRZIKAAMNR-UHFFFAOYSA-N 1 0 364.449 2.396 20 30 FEEDRO COCC[NH+]1CCC(NC(=O)[C@H](Oc2ccccc2C#N)C(C)C)CC1 ZINC000141346023 326664806 /nfs/dbraw/zinc/66/48/06/326664806.db2.gz BQCWSJJMKPHQSO-LJQANCHMSA-N 1 0 359.470 2.189 20 30 FEEDRO N#Cc1cccc(OCCC[NH+]2CCC(NC(=O)C3CCOCC3)CC2)c1 ZINC000156295005 326825391 /nfs/dbraw/zinc/82/53/91/326825391.db2.gz HLTQJEIMSKNWFE-UHFFFAOYSA-N 1 0 371.481 2.334 20 30 FEEDRO C[NH+](C)CCOc1cccc(CNC(=O)CNc2cccc(C#N)c2)c1 ZINC000157769034 326874748 /nfs/dbraw/zinc/87/47/48/326874748.db2.gz CTUWCMAOKHOZMI-UHFFFAOYSA-N 1 0 352.438 2.227 20 30 FEEDRO CC[NH+](CC)CCCNC(=O)C1CCN(c2nc(C)ccc2C#N)CC1 ZINC000160579645 326970054 /nfs/dbraw/zinc/97/00/54/326970054.db2.gz UZGZFPWJIBFKIP-UHFFFAOYSA-N 1 0 357.502 2.326 20 30 FEEDRO C[NH+](C)CC[C@H](NS(=O)(=O)Cc1cc(C#N)ccc1F)C(C)(C)C ZINC000162959233 327038744 /nfs/dbraw/zinc/03/87/44/327038744.db2.gz TWIJBOWZXNAZCL-INIZCTEOSA-N 1 0 355.479 2.483 20 30 FEEDRO CN(C)c1nc(CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)ns1 ZINC000163711986 327057129 /nfs/dbraw/zinc/05/71/29/327057129.db2.gz KLWGBTREPWNWGG-UHFFFAOYSA-N 1 0 356.499 2.184 20 30 FEEDRO CCC[N@H+](C)C[C@H]1CCN(S(=O)(=O)Cc2cc(C#N)ccc2F)C1 ZINC000163961494 327061807 /nfs/dbraw/zinc/06/18/07/327061807.db2.gz DOXAKUPSYDHYNP-OAHLLOKOSA-N 1 0 353.463 2.191 20 30 FEEDRO C[C@@H]1C[NH+](CC2CCN(CC(=O)Nc3ccc(C#N)cc3)CC2)C[C@@H](C)O1 ZINC000170780156 327098738 /nfs/dbraw/zinc/09/87/38/327098738.db2.gz AVLWJPBVRRTTBF-IAGOWNOFSA-N 1 0 370.497 2.318 20 30 FEEDRO CC[NH+]1CCN([C@@H]2CCN(C(=O)Nc3cc(C#N)cn3C(C)(C)C)C2)CC1 ZINC000171682994 327154933 /nfs/dbraw/zinc/15/49/33/327154933.db2.gz KHPYXYUSGYHMGT-QGZVFWFLSA-N 1 0 372.517 2.358 20 30 FEEDRO COc1cc[nH+]c(N2CCN(C(=O)NCc3cc(C#N)ccc3F)CC2)c1 ZINC000174026860 327302407 /nfs/dbraw/zinc/30/24/07/327302407.db2.gz HXBKWPKVSZXYAU-UHFFFAOYSA-N 1 0 369.400 2.133 20 30 FEEDRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)c1ccc(C#N)nc1 ZINC000174039556 327302835 /nfs/dbraw/zinc/30/28/35/327302835.db2.gz BTNXZVQCORBSFC-KRWDZBQOSA-N 1 0 370.478 2.096 20 30 FEEDRO Cc1cccc(NC(=O)C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)c1C#N ZINC000174851570 327355444 /nfs/dbraw/zinc/35/54/44/327355444.db2.gz MIAVXNIQCJSPKZ-INIZCTEOSA-N 1 0 354.454 2.282 20 30 FEEDRO COc1cc(C#N)ccc1OCC[N@@H+]1CCCC[C@@H](N2CCN(C)CC2)C1 ZINC000174886818 327358486 /nfs/dbraw/zinc/35/84/86/327358486.db2.gz SYKMRPYZEMRAKU-LJQANCHMSA-N 1 0 372.513 2.048 20 30 FEEDRO Cc1cccc(NC(=O)C(=O)N2CCC[N@@H+](C3CCCC3)CC2)c1C#N ZINC000174953792 327363485 /nfs/dbraw/zinc/36/34/85/327363485.db2.gz OXMPAXOHRLPCKI-UHFFFAOYSA-N 1 0 354.454 2.282 20 30 FEEDRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1cc(C#N)c[nH]1 ZINC000176249114 327443817 /nfs/dbraw/zinc/44/38/17/327443817.db2.gz ZWOLVDFMPNKMEH-UHFFFAOYSA-N 1 0 353.426 2.289 20 30 FEEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000178004403 327558353 /nfs/dbraw/zinc/55/83/53/327558353.db2.gz NEKWMKVLCGVCEW-CVEARBPZSA-N 1 0 372.469 2.273 20 30 FEEDRO CC(C)(Oc1ccc(C#N)cc1)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000178398351 327582543 /nfs/dbraw/zinc/58/25/43/327582543.db2.gz PIZUQMYPAMVTMC-UHFFFAOYSA-N 1 0 371.481 2.286 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)cc1Cl ZINC000261952383 328831417 /nfs/dbraw/zinc/83/14/17/328831417.db2.gz WOBISFVHHQOVDW-MRXNPFEDSA-N 1 0 353.875 2.364 20 30 FEEDRO N#Cc1cc(NC(=O)C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)ccc1Cl ZINC000264479686 329027660 /nfs/dbraw/zinc/02/76/60/329027660.db2.gz NCBOMHAKGCMORA-HNNXBMFYSA-N 1 0 360.845 2.237 20 30 FEEDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)CCc1c(C)nc2c(C#N)cnn2c1C ZINC000264729170 329054089 /nfs/dbraw/zinc/05/40/89/329054089.db2.gz QBJYUTYNLADFFU-QGZVFWFLSA-N 1 0 368.485 2.141 20 30 FEEDRO CN1CCN(C)[C@@H](C[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000264769134 329058499 /nfs/dbraw/zinc/05/84/99/329058499.db2.gz QPAHRZBHMQMUBI-NRFANRHFSA-N 1 0 364.493 2.473 20 30 FEEDRO C[C@@H](NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)[C@H]1CCOC1 ZINC000266563458 329236378 /nfs/dbraw/zinc/23/63/78/329236378.db2.gz NFQSKGAZLGZIEQ-APWZRJJASA-N 1 0 356.470 2.201 20 30 FEEDRO N#Cc1cc(F)ccc1NC(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000267553930 329337854 /nfs/dbraw/zinc/33/78/54/329337854.db2.gz KGWMCQNFOABFHN-QGZVFWFLSA-N 1 0 366.396 2.027 20 30 FEEDRO C[C@H](c1ccccc1)[N@H+](CCC(=O)Nc1ccccc1C#N)CC(N)=O ZINC000268204777 329396675 /nfs/dbraw/zinc/39/66/75/329396675.db2.gz RYJALUCSWOFHIT-OAHLLOKOSA-N 1 0 350.422 2.435 20 30 FEEDRO CS[C@@H]1CN([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C[C@H]1[NH+](C)C ZINC000270659669 329619551 /nfs/dbraw/zinc/61/95/51/329619551.db2.gz OJQXQXVMESMHTE-KCPJHIHWSA-N 1 0 350.488 2.073 20 30 FEEDRO CS[C@H]1CN(CC(=O)Nc2oc(C)c(C)c2C#N)C[C@H]1[NH+]1CCCC1 ZINC000274147437 329920139 /nfs/dbraw/zinc/92/01/39/329920139.db2.gz XWVHLENJDBHVTD-CVEARBPZSA-N 1 0 362.499 2.218 20 30 FEEDRO CN(Cc1nccs1)[C@@H]1CC12CCN(C(=O)c1ccc(C#N)[nH]1)CC2 ZINC000275740106 330083301 /nfs/dbraw/zinc/08/33/01/330083301.db2.gz QANRHBMSFFHCFV-OAHLLOKOSA-N 1 0 355.467 2.470 20 30 FEEDRO CCOc1ccc(C#N)cc1NC(=O)C(=O)N(CC)CCC[NH+](CC)CC ZINC000276397693 330148582 /nfs/dbraw/zinc/14/85/82/330148582.db2.gz YSEXROMLWAVGJK-UHFFFAOYSA-N 1 0 374.485 2.476 20 30 FEEDRO CC(C)(CCC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)[N+](=O)[O-] ZINC000294203489 330192571 /nfs/dbraw/zinc/19/25/71/330192571.db2.gz AARDDOOIXWMOFN-UHFFFAOYSA-N 1 0 358.442 2.428 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+]Cc2cc3c(s2)CCCC3)nc1 ZINC000554786918 674336469 /nfs/dbraw/zinc/33/64/69/674336469.db2.gz QJAFFQIWSPOSEJ-UHFFFAOYSA-N 1 0 361.492 2.457 20 30 FEEDRO CNC(=O)CCC[N@H+](C)CC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000155315183 545510078 /nfs/dbraw/zinc/51/00/78/545510078.db2.gz JDENGPYFPMLEMZ-AWEZNQCLSA-N 1 0 362.499 2.477 20 30 FEEDRO C[NH+](C)CCN(Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1C#N ZINC000156222175 545609418 /nfs/dbraw/zinc/60/94/18/545609418.db2.gz PYEBVLUJTNHOID-UHFFFAOYSA-N 1 0 361.442 2.450 20 30 FEEDRO COc1ccc(C[N@H+](CCO)C[C@H](O)c2ccc(C#N)cc2)c(OC)c1 ZINC000156353205 545620576 /nfs/dbraw/zinc/62/05/76/545620576.db2.gz YBLMXIIZDGGFPF-IBGZPJMESA-N 1 0 356.422 2.103 20 30 FEEDRO CCC[NH+]1CCC(N2CCN(C[C@@H](O)c3ccc(C#N)cc3)CC2)CC1 ZINC000156371030 545622180 /nfs/dbraw/zinc/62/21/80/545622180.db2.gz WCCHYMHNRJOHGF-OAQYLSRUSA-N 1 0 356.514 2.084 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+](C)C[C@@H]1CCN(C(C)=O)C1 ZINC000156419796 545626015 /nfs/dbraw/zinc/62/60/15/545626015.db2.gz YCAVZBUUPXQEET-RDJZCZTQSA-N 1 0 363.527 2.451 20 30 FEEDRO CN(CCOCc1ccccc1)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000156844092 545668803 /nfs/dbraw/zinc/66/88/03/545668803.db2.gz VYLZQPRHKLTYNY-UHFFFAOYSA-N 1 0 358.463 2.481 20 30 FEEDRO N#Cc1cc(F)ccc1S(=O)(=O)N1CCC[C@H]([NH+]2CCCCC2)C1 ZINC000157362578 545732297 /nfs/dbraw/zinc/73/22/97/545732297.db2.gz CTGXVGJAPNOKHN-INIZCTEOSA-N 1 0 351.447 2.336 20 30 FEEDRO C=CCOc1ccccc1CNC(=O)C(=O)NCC1CC[NH+](CCC)CC1 ZINC000477683632 561151042 /nfs/dbraw/zinc/15/10/42/561151042.db2.gz PSGYAOFWFJWNEG-UHFFFAOYSA-N 1 0 373.497 2.106 20 30 FEEDRO Cn1cc(Nc2cccc(C(=O)N(CCC#N)CCC[NH+](C)C)c2)cn1 ZINC000157635956 545763565 /nfs/dbraw/zinc/76/35/65/545763565.db2.gz LLPGDCMCIKZUDD-UHFFFAOYSA-N 1 0 354.458 2.471 20 30 FEEDRO CCc1cccc(NC(=[NH2+])NCCNS(=O)(=O)c2cccs2)c1 ZINC000160490963 546045237 /nfs/dbraw/zinc/04/52/37/546045237.db2.gz MKIHECCQTWEGRQ-UHFFFAOYSA-N 1 0 352.485 2.016 20 30 FEEDRO CO/N=C/c1ccc(C(=O)NC[C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)cc1 ZINC000160628002 546057796 /nfs/dbraw/zinc/05/77/96/546057796.db2.gz BWXXUKOTZGDTIP-ABLYMHCQSA-N 1 0 367.449 2.032 20 30 FEEDRO C[NH+]=C(NCc1cn(C)nc1C(F)(F)F)NCc1nc(C)c(C)s1 ZINC000164028411 546148708 /nfs/dbraw/zinc/14/87/08/546148708.db2.gz UGTWZAPFOLUISB-UHFFFAOYSA-N 1 0 360.409 2.377 20 30 FEEDRO CN(CC1CCN(c2cc[nH+]cc2)CC1)S(=O)(=O)CCCCC#N ZINC000165923857 546155100 /nfs/dbraw/zinc/15/51/00/546155100.db2.gz SEGMGKYRGDPYHQ-UHFFFAOYSA-N 1 0 350.488 2.253 20 30 FEEDRO Cc1cc(C)n(Cc2cccc(C(=[NH2+])NOC=C(O)c3cccn3C)c2)n1 ZINC000170641667 546167817 /nfs/dbraw/zinc/16/78/17/546167817.db2.gz PEKIRHJZEWMJHU-UHFFFAOYSA-N 1 0 365.437 2.407 20 30 FEEDRO C=CCN1C(=O)c2ccc(C(=O)N3CCC4(CC[NH2+]CC4)CC3)cc2C1=O ZINC000479273051 561186323 /nfs/dbraw/zinc/18/63/23/561186323.db2.gz SARMVTLARBLVFW-UHFFFAOYSA-N 1 0 367.449 2.074 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)Nc2cccc(S(=O)(=O)C(F)F)c2)CC1 ZINC000171640286 546217106 /nfs/dbraw/zinc/21/71/06/546217106.db2.gz YPUPPFBTAOPOST-UHFFFAOYSA-N 1 0 373.425 2.455 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N[C@H](CN2CCOCC2)c2ccccc2)CC1 ZINC000171704563 546219234 /nfs/dbraw/zinc/21/92/34/546219234.db2.gz ADOCYBHJBBWRTC-HXUWFJFHSA-N 1 0 372.513 2.010 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C[C@@H](NC(C)=O)c2ccccc2OCC)CC1 ZINC000171715024 546220446 /nfs/dbraw/zinc/22/04/46/546220446.db2.gz AZPJWCBAWSLMPK-LJQANCHMSA-N 1 0 373.497 2.419 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)NC[C@@H](C)N2CCc3sccc3C2)CC1 ZINC000171715833 546220907 /nfs/dbraw/zinc/22/09/07/546220907.db2.gz OCPFNCNCEXXBMI-OAHLLOKOSA-N 1 0 362.543 2.444 20 30 FEEDRO CN1CC[N@H+](CCCNC(=O)NCCCCC#N)[C@H](c2ccccc2)C1 ZINC000171740279 546223252 /nfs/dbraw/zinc/22/32/52/546223252.db2.gz XHBSHPIUZJVCGA-IBGZPJMESA-N 1 0 357.502 2.358 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N2CCCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000171740428 546223497 /nfs/dbraw/zinc/22/34/97/546223497.db2.gz YAVCVXPIPMBRRT-UHFFFAOYSA-N 1 0 366.506 2.289 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)c2cc(Br)cnc2N(C)C)CC1 ZINC000172020262 546233689 /nfs/dbraw/zinc/23/36/89/546233689.db2.gz JXOWAXYRPQFJGN-UHFFFAOYSA-N 1 0 367.291 2.290 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)NC[C@H](O)c2ccc(OC(C)C)cc2)CC1 ZINC000172185628 546239807 /nfs/dbraw/zinc/23/98/07/546239807.db2.gz HZAKJTRVEFINOP-IBGZPJMESA-N 1 0 361.486 2.457 20 30 FEEDRO C[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1)CC2 ZINC000173223547 546275560 /nfs/dbraw/zinc/27/55/60/546275560.db2.gz ZPJYPYQJIWYJKD-SJORKVTESA-N 1 0 354.454 2.121 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)Nc2cccc(N3CCCNC3=O)c2)CC1 ZINC000174179953 546292730 /nfs/dbraw/zinc/29/27/30/546292730.db2.gz BFDWGSPIGSNECV-UHFFFAOYSA-N 1 0 357.458 2.378 20 30 FEEDRO N#CCCN(CCC#N)C(=O)C[N@H+]1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000175851585 546361267 /nfs/dbraw/zinc/36/12/67/546361267.db2.gz BTENQAFJFZTROE-HOTGVXAUSA-N 1 0 360.483 2.292 20 30 FEEDRO C[C@H](NC(=O)Cc1ccc(OCC#N)cc1)C1([NH+]2CCOCC2)CCCC1 ZINC000175925612 546373203 /nfs/dbraw/zinc/37/32/03/546373203.db2.gz BXGSYTRAFKNRKH-KRWDZBQOSA-N 1 0 371.481 2.281 20 30 FEEDRO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccc(F)cc1C#N)c1cccc(F)c1 ZINC000175940547 546376973 /nfs/dbraw/zinc/37/69/73/546376973.db2.gz YWJBDESFBIGZHC-KRWDZBQOSA-N 1 0 372.375 2.194 20 30 FEEDRO C[NH+]=C(NCc1cc(N(C)C)nc2ccccc12)NCC1CCOCC1 ZINC000176016603 546391639 /nfs/dbraw/zinc/39/16/39/546391639.db2.gz XXBDTHBOHLFCRF-UHFFFAOYSA-N 1 0 355.486 2.392 20 30 FEEDRO N#Cc1ccc(Cl)c(NC(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)c1 ZINC000176585624 546464534 /nfs/dbraw/zinc/46/45/34/546464534.db2.gz JKZHWNXRCQFRQY-UHFFFAOYSA-N 1 0 360.845 2.141 20 30 FEEDRO N#Cc1ccc(C[NH2+]CCNS(=O)(=O)c2cccc(Cl)c2)s1 ZINC000176957112 546515251 /nfs/dbraw/zinc/51/52/51/546515251.db2.gz RHOIKCCHESNOLB-UHFFFAOYSA-N 1 0 355.872 2.341 20 30 FEEDRO C[NH+](C)CCCOC1CCN(C(=O)Cc2ccc(OCC#N)cc2)CC1 ZINC000177084011 546541892 /nfs/dbraw/zinc/54/18/92/546541892.db2.gz FWHZSBMUDBGVPZ-UHFFFAOYSA-N 1 0 359.470 2.091 20 30 FEEDRO CC(C)(C)[NH+]1CCC(NS(=O)(=O)Cc2ccc(C#N)cc2F)CC1 ZINC000481033939 561223503 /nfs/dbraw/zinc/22/35/03/561223503.db2.gz IDSFGOVGSSEJFB-UHFFFAOYSA-N 1 0 353.463 2.380 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N[C@H](C)c2cn(-c3ccccc3)nn2)CC1 ZINC000177994711 546719548 /nfs/dbraw/zinc/71/95/48/546719548.db2.gz RXWMOELMTRDQIR-OAHLLOKOSA-N 1 0 354.458 2.278 20 30 FEEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)Cc1csc2nccn12 ZINC000481465144 561233373 /nfs/dbraw/zinc/23/33/73/561233373.db2.gz LSIVSNQBVMKKSE-UHFFFAOYSA-N 1 0 367.478 2.400 20 30 FEEDRO N#CCC[C@H](NC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)c1ccccc1 ZINC000178794884 546850189 /nfs/dbraw/zinc/85/01/89/546850189.db2.gz OTYPKDZERRNAKG-MJGOQNOKSA-N 1 0 356.470 2.395 20 30 FEEDRO N#CCCN(CCC#N)C(=O)C[NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000179760813 547009632 /nfs/dbraw/zinc/00/96/32/547009632.db2.gz JVPZXSKSRUBEPP-HXUWFJFHSA-N 1 0 368.437 2.154 20 30 FEEDRO C[C@@H]([NH2+]CC(=O)N(CCC#N)CCC#N)c1ccc(NC(=O)C2CC2)cc1 ZINC000179780789 547012402 /nfs/dbraw/zinc/01/24/02/547012402.db2.gz YHCMLXJUTAPBRC-OAHLLOKOSA-N 1 0 367.453 2.342 20 30 FEEDRO N#Cc1ccccc1CSCCNc1cc(-n2cccn2)nc(N)[nH+]1 ZINC000179880913 547023937 /nfs/dbraw/zinc/02/39/37/547023937.db2.gz VQZLZJLPPMOREU-UHFFFAOYSA-N 1 0 351.439 2.461 20 30 FEEDRO Cn1cc(C[N@@H+]2CCC[C@@H](CCC(N)=O)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180011033 547038741 /nfs/dbraw/zinc/03/87/41/547038741.db2.gz YWRBNOLISLBHOU-INIZCTEOSA-N 1 0 351.454 2.436 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2c(F)cc(Cl)cc2F)CC1 ZINC000180083908 547049099 /nfs/dbraw/zinc/04/90/99/547049099.db2.gz COCFNXGDGROFEA-UHFFFAOYSA-N 1 0 357.788 2.323 20 30 FEEDRO CC(C)[C@H](CNC(=O)c1ccc(C2(C#N)CC2)cc1)[NH+]1CCN(C)CC1 ZINC000180390185 547099022 /nfs/dbraw/zinc/09/90/22/547099022.db2.gz FNNSBKFPLFFHOO-IBGZPJMESA-N 1 0 354.498 2.244 20 30 FEEDRO CCOc1cccc([C@@H](C)[NH2+]CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)c1 ZINC000180698656 547160565 /nfs/dbraw/zinc/16/05/65/547160565.db2.gz VFWCDULMEGAANW-YLJYHZDGSA-N 1 0 372.513 2.428 20 30 FEEDRO C[C@@H]([NH2+]CC(=O)N(CCC#N)CCC#N)c1ccc(-n2cccn2)cc1 ZINC000180852867 547194978 /nfs/dbraw/zinc/19/49/78/547194978.db2.gz CXCPOXQUDJMYRK-MRXNPFEDSA-N 1 0 350.426 2.179 20 30 FEEDRO N#CC1(C(=O)NCCc2ccc(OCC[NH+]3CCCC3)cc2)CCOCC1 ZINC000180882404 547201007 /nfs/dbraw/zinc/20/10/07/547201007.db2.gz YPOWXOJNHUSUNV-UHFFFAOYSA-N 1 0 371.481 2.140 20 30 FEEDRO C=C(C)COc1cc(C[NH2+][C@H](CC(N)=O)C2CCOCC2)ccc1OC ZINC000180916071 547208905 /nfs/dbraw/zinc/20/89/05/547208905.db2.gz QYOKEYTZHZVQLE-QGZVFWFLSA-N 1 0 362.470 2.410 20 30 FEEDRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2ccc(C#N)cc2OC)cc1 ZINC000181036038 547236465 /nfs/dbraw/zinc/23/64/65/547236465.db2.gz JNCZOGOPRUVCSG-ZDUSSCGKSA-N 1 0 359.451 2.326 20 30 FEEDRO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+](CC3CC3)CC3CCC3)CC2)o1 ZINC000483267563 561272218 /nfs/dbraw/zinc/27/22/18/561272218.db2.gz XSRZIGQMACLSHK-UHFFFAOYSA-N 1 0 371.485 2.015 20 30 FEEDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)cc1F ZINC000181355491 547300130 /nfs/dbraw/zinc/30/01/30/547300130.db2.gz NWMSUVFQCOUHEL-VQIMIIECSA-N 1 0 360.477 2.477 20 30 FEEDRO CC(C)CN1CCO[C@H](C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)C1 ZINC000181411759 547310740 /nfs/dbraw/zinc/31/07/40/547310740.db2.gz GHSXWXQKZWITIO-JOCHJYFZSA-N 1 0 370.541 2.469 20 30 FEEDRO CC(C)C[C@@H](CNC(=O)C(=O)Nc1ccccc1O[C@@H](C)C#N)[NH+](C)C ZINC000181661182 547355659 /nfs/dbraw/zinc/35/56/59/547355659.db2.gz URFUJJMEVJWBFH-GJZGRUSLSA-N 1 0 360.458 2.008 20 30 FEEDRO C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000181740662 547372164 /nfs/dbraw/zinc/37/21/64/547372164.db2.gz WLRLPZUHDRWAQP-OAHLLOKOSA-N 1 0 372.469 2.106 20 30 FEEDRO N#Cc1ccc(CN2CCC([NH2+]CCCNC(=O)C3CCC3)CC2)cc1 ZINC000182003453 547420325 /nfs/dbraw/zinc/42/03/25/547420325.db2.gz VRCBFAMQCZEAOJ-UHFFFAOYSA-N 1 0 354.498 2.419 20 30 FEEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+][C@H](CC(N)=O)C3CCCCC3)C2=O)cc1 ZINC000182011456 547421587 /nfs/dbraw/zinc/42/15/87/547421587.db2.gz SDGQXUKESFJOOO-RTBURBONSA-N 1 0 368.481 2.468 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cnc([C@H](C)CC)nc2)CC1 ZINC000483876284 561285442 /nfs/dbraw/zinc/28/54/42/561285442.db2.gz ACMOBYDCYYPOIR-CQSZACIVSA-N 1 0 359.474 2.085 20 30 FEEDRO C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000182145843 547444867 /nfs/dbraw/zinc/44/48/67/547444867.db2.gz SMGFLROBJKDAIC-HZPDHXFCSA-N 1 0 372.469 2.297 20 30 FEEDRO CCCNC(=O)C1CC[NH+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000182611838 547521605 /nfs/dbraw/zinc/52/16/05/547521605.db2.gz QFUUUHCAUDQCLK-IBGZPJMESA-N 1 0 368.481 2.292 20 30 FEEDRO Cc1nnc(SCC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)c(C#N)c1C ZINC000182712589 547539338 /nfs/dbraw/zinc/53/93/38/547539338.db2.gz LVTRZXSXJFMMFJ-KRWDZBQOSA-N 1 0 369.494 2.476 20 30 FEEDRO COCC1(C#N)CCN(C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)CC1 ZINC000484297406 561295773 /nfs/dbraw/zinc/29/57/73/561295773.db2.gz QGNQIYXVUVWCPT-SFHVURJKSA-N 1 0 358.486 2.121 20 30 FEEDRO C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000183165438 547613441 /nfs/dbraw/zinc/61/34/41/547613441.db2.gz MSLYBWGEYYXVGP-LBPRGKRZSA-N 1 0 357.380 2.299 20 30 FEEDRO N#Cc1nc(-c2ccco2)oc1N1CC[NH+](CCCn2ccnc2)CC1 ZINC000183187520 547618214 /nfs/dbraw/zinc/61/82/14/547618214.db2.gz NKFRWAJFOACINE-UHFFFAOYSA-N 1 0 352.398 2.215 20 30 FEEDRO CC(C)[C@H](C#N)N1CCN(C(=O)C[NH2+][C@H](Cc2ccccc2)C2CC2)CC1 ZINC000183402789 547651376 /nfs/dbraw/zinc/65/13/76/547651376.db2.gz CEHWCPSUTSTLKD-RTWAWAEBSA-N 1 0 368.525 2.290 20 30 FEEDRO COCCCN(C(=O)c1c(F)cc(C#N)cc1F)C1CC[NH+](C)CC1 ZINC000484858806 561307130 /nfs/dbraw/zinc/30/71/30/561307130.db2.gz GDPRDBMZPZAQPO-UHFFFAOYSA-N 1 0 351.397 2.409 20 30 FEEDRO C#CCOc1ccccc1NC(=O)C(=O)NC1CC[NH+](CCCC)CC1 ZINC000184567221 547846919 /nfs/dbraw/zinc/84/69/19/547846919.db2.gz YZRBLTBGVVQYGZ-UHFFFAOYSA-N 1 0 357.454 2.018 20 30 FEEDRO C=CCC[C@@H](C)[NH2+]Cc1ccccc1CS(=O)(=O)N1CCOCC1 ZINC000185016001 547917923 /nfs/dbraw/zinc/91/79/23/547917923.db2.gz AFRXWULRKSKCGJ-MRXNPFEDSA-N 1 0 352.500 2.293 20 30 FEEDRO CCCCCCNC(=[NH2+])NCc1ccc(N2CCCS2(=O)=O)cc1 ZINC000185589101 548006334 /nfs/dbraw/zinc/00/63/34/548006334.db2.gz KKHUDEDYROOIHE-UHFFFAOYSA-N 1 0 352.504 2.211 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2nc3cc(OC)ccc3n2C)CC1 ZINC000185685844 548020305 /nfs/dbraw/zinc/02/03/05/548020305.db2.gz PPPOUHYAHQWNPZ-UHFFFAOYSA-N 1 0 371.485 2.422 20 30 FEEDRO C=CC[C@H](CO)NC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000185785754 548035958 /nfs/dbraw/zinc/03/59/58/548035958.db2.gz GBFOIELMAAWQBU-WBVHZDCISA-N 1 0 356.388 2.494 20 30 FEEDRO C[C@@]1(C(N)=O)CCCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000185915285 548059205 /nfs/dbraw/zinc/05/92/05/548059205.db2.gz SPNDLGNMLKCCTO-SFHVURJKSA-N 1 0 360.483 2.167 20 30 FEEDRO C=CCc1cc(C[NH2+][C@H]2CCOC[C@@H]2OCCOC)cc(OC)c1O ZINC000485724323 561326664 /nfs/dbraw/zinc/32/66/64/561326664.db2.gz JPLLNVOAWKBBBX-WMZOPIPTSA-N 1 0 351.443 2.039 20 30 FEEDRO C=CCc1ccccc1OC[C@@H](O)C[NH+]1CCC(Cn2cncn2)CC1 ZINC000186255359 548108071 /nfs/dbraw/zinc/10/80/71/548108071.db2.gz BXSGHUFZZPEDRE-IBGZPJMESA-N 1 0 356.470 2.159 20 30 FEEDRO C=CC[C@H](C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)c1ccccc1 ZINC000186634897 548163373 /nfs/dbraw/zinc/16/33/73/548163373.db2.gz GCDFETAMMBYGRK-OALUTQOASA-N 1 0 355.482 2.111 20 30 FEEDRO N#CCCN(CCN1CCOCC1)C[C@@H](O)c1ccc(F)cc1Cl ZINC000187112822 548250317 /nfs/dbraw/zinc/25/03/17/548250317.db2.gz PJBJXHTUVRRMHJ-QGZVFWFLSA-N 1 0 355.841 2.060 20 30 FEEDRO C=CCN(CCOC)CC(=O)Nc1ccc(I)cc1 ZINC000191128640 548340098 /nfs/dbraw/zinc/34/00/98/548340098.db2.gz LYTJLCBSZCQALG-UHFFFAOYSA-N 1 0 374.222 2.364 20 30 FEEDRO C=CCN(CCOC)CC(=O)Nc1ccccc1I ZINC000191146834 548342057 /nfs/dbraw/zinc/34/20/57/548342057.db2.gz FUOMHYLLTIEOHW-UHFFFAOYSA-N 1 0 374.222 2.364 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)NCc2ccc(C)nc2-n2cc(Cl)cn2)CC1 ZINC000191722785 548350226 /nfs/dbraw/zinc/35/02/26/548350226.db2.gz RVWSALYTTGQSBQ-UHFFFAOYSA-N 1 0 371.872 2.191 20 30 FEEDRO COc1cc([C@@H](C#N)NC(=O)C2CC[NH+](C3CC3)CC2)cc(OC)c1OC ZINC000486448319 561347346 /nfs/dbraw/zinc/34/73/46/561347346.db2.gz GPPROJMWLOSPOY-MRXNPFEDSA-N 1 0 373.453 2.268 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(Cl)c(OC)c2)CC1 ZINC000192893926 548374968 /nfs/dbraw/zinc/37/49/68/548374968.db2.gz CDCOZBVVDBAOMW-UHFFFAOYSA-N 1 0 365.861 2.444 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N2CC[C@](C(=O)OCC)(C(C)C)C2)CC1 ZINC000193615749 548391364 /nfs/dbraw/zinc/39/13/64/548391364.db2.gz MRUMISCAHKDGCH-LJQANCHMSA-N 1 0 351.491 2.258 20 30 FEEDRO C=CCN1C(=O)c2ccc(C(=O)N[C@H]3CCC[C@@H]([NH+](C)C)C3)cc2C1=O ZINC000487436881 561369755 /nfs/dbraw/zinc/36/97/55/561369755.db2.gz HHKGVKGIFQVXIG-LSDHHAIUSA-N 1 0 355.438 2.071 20 30 FEEDRO C[C@H](C#N)Oc1ccc(C[NH2+]C[C@@]2(N3CCOCC3)CCSC2)cc1 ZINC000237595902 548837793 /nfs/dbraw/zinc/83/77/93/548837793.db2.gz RMJZTWAHJZZJRA-APWZRJJASA-N 1 0 361.511 2.275 20 30 FEEDRO CO[C@H]1CN(CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)C[C@@H]1OC ZINC000487983542 561380635 /nfs/dbraw/zinc/38/06/35/561380635.db2.gz VUSBSIQMQHTASZ-IRXDYDNUSA-N 1 0 365.861 2.241 20 30 FEEDRO CC[C@@H]1Oc2cc([C@H](C)[NH2+]CC(=O)N(CC)C[C@H](C)C#N)ccc2NC1=O ZINC000245839380 549001978 /nfs/dbraw/zinc/00/19/78/549001978.db2.gz CBOASRSRQCWMHK-KEYYUXOJSA-N 1 0 372.469 2.455 20 30 FEEDRO C[C@@H]1C[C@@H](C)C[NH+](CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)C1 ZINC000245882570 549008443 /nfs/dbraw/zinc/00/84/43/549008443.db2.gz NXSJCTAZJPIYRJ-BRWVUGGUSA-N 1 0 360.527 2.435 20 30 FEEDRO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1cccc(Cl)c1C#N ZINC000246097181 549050868 /nfs/dbraw/zinc/05/08/68/549050868.db2.gz LLGSXRYSKJGCON-STQMWFEESA-N 1 0 353.875 2.459 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)NCc1ccnc2ccnn21)C(C)C ZINC000488275281 561387302 /nfs/dbraw/zinc/38/73/02/561387302.db2.gz YBSDNIWZUDJQOE-KRWDZBQOSA-N 1 0 356.474 2.227 20 30 FEEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc(-n2ccnc2)ccn1 ZINC000488468630 561390291 /nfs/dbraw/zinc/39/02/91/561390291.db2.gz LIYWKJHUBPHMIQ-UHFFFAOYSA-N 1 0 374.448 2.343 20 30 FEEDRO COc1cccc(C[C@@H](C)[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)n1 ZINC000488480705 561390488 /nfs/dbraw/zinc/39/04/88/561390488.db2.gz FIMMNBYHUYEEKU-BEFAXECRSA-N 1 0 364.449 2.284 20 30 FEEDRO CCCCNC(=O)[C@H]1CCCN([C@@H](C(=O)OC)c2cccc(C#N)c2)C1 ZINC000246345020 549111537 /nfs/dbraw/zinc/11/15/37/549111537.db2.gz FPVKOWHPTUCQCU-ZWKOTPCHSA-N 1 0 357.454 2.401 20 30 FEEDRO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000246486147 549143814 /nfs/dbraw/zinc/14/38/14/549143814.db2.gz AJNXPIYPTRJGPF-SFANZJOMSA-N 1 0 372.517 2.309 20 30 FEEDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2ccccc2OCC#N)[C@@H](C)C1 ZINC000246693137 549190146 /nfs/dbraw/zinc/19/01/46/549190146.db2.gz DGLHHNRLCRVWEK-FUHWJXTLSA-N 1 0 359.470 2.456 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CCC[C@@H]([S@](=O)CC)C2)CC1 ZINC000246778028 549210219 /nfs/dbraw/zinc/21/02/19/549210219.db2.gz ZDVGKTDBIKUXOB-HOZJOUCCSA-N 1 0 355.548 2.406 20 30 FEEDRO C=CCn1cccc1C(=O)N1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000489056578 561402499 /nfs/dbraw/zinc/40/24/99/561402499.db2.gz YRKZGRYIFTUPBL-UHFFFAOYSA-N 1 0 374.529 2.230 20 30 FEEDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNS(=O)(=O)c2ccc(C#N)c(F)c2)C1 ZINC000489128079 561404052 /nfs/dbraw/zinc/40/40/52/561404052.db2.gz XFCQUULXDHRUCH-ZIAGYGMSSA-N 1 0 353.463 2.344 20 30 FEEDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N2CCO[C@@H](C#N)C2)cc1 ZINC000247868145 549387295 /nfs/dbraw/zinc/38/72/95/549387295.db2.gz XCJSWJRUNMTNII-LPHOPBHVSA-N 1 0 356.470 2.495 20 30 FEEDRO Cc1cc(C(=O)N2CC[N@H+](C)[C@H](C(C)C)C2)nn1-c1cccc(C#N)c1 ZINC000489332814 561408371 /nfs/dbraw/zinc/40/83/71/561408371.db2.gz RNHSCMWAGJZPDY-IBGZPJMESA-N 1 0 351.454 2.465 20 30 FEEDRO CC1([C@H]2CCCN([C@H]3CCN(c4sccc4C#N)C3=O)C2)OCCO1 ZINC000248451729 549441367 /nfs/dbraw/zinc/44/13/67/549441367.db2.gz JFSACJMJNWUBPO-GJZGRUSLSA-N 1 0 361.467 2.200 20 30 FEEDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NS(=O)(=O)c1ccc(F)cc1C#N ZINC000248705401 549487343 /nfs/dbraw/zinc/48/73/43/549487343.db2.gz ASBNRUURRZJCLL-RDTXWAMCSA-N 1 0 373.453 2.496 20 30 FEEDRO C=C[C@H]1CCCC[N@@H+]1CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 ZINC000489473862 561412300 /nfs/dbraw/zinc/41/23/00/561412300.db2.gz JWGHXSVLLJFGII-DLBZAZTESA-N 1 0 358.511 2.497 20 30 FEEDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NS(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000489636313 561416074 /nfs/dbraw/zinc/41/60/74/561416074.db2.gz RTHJEUXEYPSOMJ-AUUYWEPGSA-N 1 0 373.453 2.496 20 30 FEEDRO CCOCCC[N@@H+]1CC[C@@H](NCC(=O)Nc2ccc(C#N)cc2)[C@@H](C)C1 ZINC000249288123 549576556 /nfs/dbraw/zinc/57/65/56/549576556.db2.gz LYELFEBJBUJBBO-QFBILLFUSA-N 1 0 358.486 2.223 20 30 FEEDRO CCOCCC[N@@H+]1CC[C@H](N[C@@H](C(=O)OC)c2cccc(C#N)c2)[C@@H](C)C1 ZINC000249450333 549593585 /nfs/dbraw/zinc/59/35/85/549593585.db2.gz OFMKHPYOZUMOPA-FFZOFVMBSA-N 1 0 373.497 2.499 20 30 FEEDRO C[NH+]=C(NC[C@@H]1CCOC1)N[C@@H]1CCN(c2cc(Cl)ccc2OC)C1 ZINC000261610670 549733893 /nfs/dbraw/zinc/73/38/93/549733893.db2.gz ARFGQNXDVHSCSW-DZGCQCFKSA-N 1 0 366.893 2.129 20 30 FEEDRO CC[S@](=O)[C@@H]1CCC[C@@H](N/C(NCc2cn3ccsc3n2)=[NH+]/C)C1 ZINC000261626330 549735856 /nfs/dbraw/zinc/73/58/56/549735856.db2.gz BXZLMHIABRMQHY-XYWAVCLCSA-N 1 0 367.544 2.141 20 30 FEEDRO C[NH+]=C(NCc1ccc(N2CCCCC2=O)cc1)N(C)Cc1ccon1 ZINC000261728487 549748649 /nfs/dbraw/zinc/74/86/49/549748649.db2.gz JFHXEGXDYDLLPV-UHFFFAOYSA-N 1 0 355.442 2.399 20 30 FEEDRO Cc1noc(C)c1CNC(NCc1nnc(C)n1C)=[NH+]C1CCCCC1 ZINC000261998329 549778526 /nfs/dbraw/zinc/77/85/26/549778526.db2.gz SWPSZSCHIWCGAJ-UHFFFAOYSA-N 1 0 359.478 2.296 20 30 FEEDRO C[NH2+]C[C@H]1CCCN(S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)C1 ZINC000262155672 549792909 /nfs/dbraw/zinc/79/29/09/549792909.db2.gz ZIFXOMOMFXCQEX-LLVKDONJSA-N 1 0 361.389 2.197 20 30 FEEDRO C[NH+]=C(NCc1cccnc1-n1ccnc1)N[C@@H]1CCc2ccccc2C1 ZINC000262229363 549800764 /nfs/dbraw/zinc/80/07/64/549800764.db2.gz MXRDTLCNGMRYHT-LJQANCHMSA-N 1 0 360.465 2.490 20 30 FEEDRO CC[NH+]=C(NCCn1cnc2ccccc21)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000262494185 549824642 /nfs/dbraw/zinc/82/46/42/549824642.db2.gz VVTLEPNFLLYYAH-MRXNPFEDSA-N 1 0 365.485 2.225 20 30 FEEDRO CN(Cc1ccccc1Cl)C(NC[C@@H]1CCS(=O)(=O)C1)=[NH+]C1CC1 ZINC000262591430 549830815 /nfs/dbraw/zinc/83/08/15/549830815.db2.gz UXWTZPKCWQUJQP-ZDUSSCGKSA-N 1 0 369.918 2.315 20 30 FEEDRO CCc1cnc(CNC(N[C@H]2CCC[C@@H](C(=O)N(C)C)C2)=[NH+]C)s1 ZINC000262775347 549848626 /nfs/dbraw/zinc/84/86/26/549848626.db2.gz JVOXBVGKFGZLGL-OLZOCXBDSA-N 1 0 351.520 2.018 20 30 FEEDRO C=C(C)C[N@@H+](CC)[C@@H](C)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F ZINC000263735405 549928708 /nfs/dbraw/zinc/92/87/08/549928708.db2.gz FTWBXKQWPCXIOC-NSHDSACASA-N 1 0 357.376 2.445 20 30 FEEDRO CCNC(=O)COc1cccc(CNC(=[NH2+])Nc2ccc(OC)cc2)c1 ZINC000264118548 549981330 /nfs/dbraw/zinc/98/13/30/549981330.db2.gz UAFOVXZPCODXDU-UHFFFAOYSA-N 1 0 356.426 2.137 20 30 FEEDRO COc1ccc(CCNC(=[NH2+])NCc2cn3ccc(C)cc3n2)cc1OC ZINC000264129331 549982620 /nfs/dbraw/zinc/98/26/20/549982620.db2.gz XNGMJBKOOYWBBQ-UHFFFAOYSA-N 1 0 367.453 2.307 20 30 FEEDRO [NH2+]=C(NCC1(c2cccc(C(F)(F)F)c2)CCOCC1)N1CCOCC1 ZINC000264136277 549983869 /nfs/dbraw/zinc/98/38/69/549983869.db2.gz ZSROVRRXNFUPCZ-UHFFFAOYSA-N 1 0 371.403 2.401 20 30 FEEDRO [NH2+]=C(NCCCNC(=O)c1cccc(O)c1)Nc1ccc2c(c1)CCC2 ZINC000264316288 549994001 /nfs/dbraw/zinc/99/40/01/549994001.db2.gz WDGBDYUIBADBLU-UHFFFAOYSA-N 1 0 352.438 2.428 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)NCCNC(=O)c2ccc(Cl)cc2)CC1 ZINC000264374952 549995187 /nfs/dbraw/zinc/99/51/87/549995187.db2.gz HHKKKZRWSUQDOM-UHFFFAOYSA-N 1 0 364.877 2.019 20 30 FEEDRO C=CCOc1ccc(/C=C/C(=O)N[C@@H]2CC[N@@H+](CCOC)C2)cc1OC ZINC000264562808 549997770 /nfs/dbraw/zinc/99/77/70/549997770.db2.gz RCVPARGBJIHIFF-DBWMJRBXSA-N 1 0 360.454 2.110 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N[C@@H](C)c1nnc2n1CCC2)C(C)C ZINC000264534295 549997792 /nfs/dbraw/zinc/99/77/92/549997792.db2.gz LUCVBYHZNZLRBX-HOTGVXAUSA-N 1 0 360.506 2.283 20 30 FEEDRO C=CCN(CC=C)C(=O)C[N@@H+](C)C1CCN(C(=O)c2ccccc2)CC1 ZINC000264938894 550004459 /nfs/dbraw/zinc/00/44/59/550004459.db2.gz HLGWJFMMQKRLDJ-UHFFFAOYSA-N 1 0 355.482 2.424 20 30 FEEDRO C[NH+]1CCC(NC(=O)Nc2ccc(NC(=O)CSCC#N)cc2)CC1 ZINC000265520201 550010513 /nfs/dbraw/zinc/01/05/13/550010513.db2.gz ORDLDQHJIPFWHJ-UHFFFAOYSA-N 1 0 361.471 2.098 20 30 FEEDRO C#CCOc1ccccc1CNC(=O)NC1CC[NH+](CCOC(C)C)CC1 ZINC000266998715 550026664 /nfs/dbraw/zinc/02/66/64/550026664.db2.gz CEKFNRUFXDSMSH-UHFFFAOYSA-N 1 0 373.497 2.387 20 30 FEEDRO C[NH+](C)Cc1c2ccccc2oc1C(=O)NC[C@@H]1CCCN(CC#N)C1 ZINC000267106444 550027689 /nfs/dbraw/zinc/02/76/89/550027689.db2.gz PXEHVIGKFNFVHT-HNNXBMFYSA-N 1 0 354.454 2.460 20 30 FEEDRO CCOC(=O)N1CCC(NC(=[NH2+])NCc2ccc(Cl)cc2OC)CC1 ZINC000267392851 550030423 /nfs/dbraw/zinc/03/04/23/550030423.db2.gz DLOUZEJNGGUPSL-UHFFFAOYSA-N 1 0 368.865 2.374 20 30 FEEDRO C[C@@H](C#N)CN(C)C(=O)NCCN1CCN(c2cccc(Cl)c2)CC1 ZINC000269061579 550150064 /nfs/dbraw/zinc/15/00/64/550150064.db2.gz ZYRVHRPEQWMOEC-HNNXBMFYSA-N 1 0 363.893 2.263 20 30 FEEDRO C[NH+](C)CCC1CCN(C(=O)C(=O)Nc2ccc(C#N)cc2Cl)CC1 ZINC000269076949 550151937 /nfs/dbraw/zinc/15/19/37/550151937.db2.gz GXHWTLFJWFHBHG-UHFFFAOYSA-N 1 0 362.861 2.340 20 30 FEEDRO Cn1ccnc1[C@@](O)(CC[NH2+]Cc1ccc(C#N)cc1F)C(F)(F)F ZINC000269388324 550189709 /nfs/dbraw/zinc/18/97/09/550189709.db2.gz BOFKVDDCYCYHET-HNNXBMFYSA-N 1 0 356.323 2.361 20 30 FEEDRO CCc1nn(C)c(CC)c1CNC(=[NH2+])NCc1ccc(OC)c(OC)c1 ZINC000269996833 550242102 /nfs/dbraw/zinc/24/21/02/550242102.db2.gz WOQZZOCJWHREJL-UHFFFAOYSA-N 1 0 359.474 2.167 20 30 FEEDRO CCOc1ccc(N(CCC#N)C(=O)C[NH2+][C@H]2CCC[C@@]2(C)CO)cc1 ZINC000493650094 561457363 /nfs/dbraw/zinc/45/73/63/561457363.db2.gz AYXGGEDUJNBTGU-ICSRJNTNSA-N 1 0 359.470 2.473 20 30 FEEDRO COCC1(C#N)CCN(C(=O)Nc2ccccc2CN2CCOCC2)CC1 ZINC000493823120 561458341 /nfs/dbraw/zinc/45/83/41/561458341.db2.gz VALVPZMPVWCQCN-UHFFFAOYSA-N 1 0 372.469 2.303 20 30 FEEDRO C[C@@](C#N)(NC(=O)C[N@@H+]1CCC[C@@H]1Cn1cnc2ccccc21)C1CC1 ZINC000270439284 550272555 /nfs/dbraw/zinc/27/25/55/550272555.db2.gz JKUXVLVKVWNSHT-UZLBHIALSA-N 1 0 351.454 2.309 20 30 FEEDRO CN(CCC#N)C(=O)CC[N@H+](C)Cc1cc2c(cc1OC(F)F)OCO2 ZINC000270679665 550296008 /nfs/dbraw/zinc/29/60/08/550296008.db2.gz UKEBHZFLVHENPS-UHFFFAOYSA-N 1 0 369.368 2.211 20 30 FEEDRO C[C@@H]1OCC[C@@]1(C)[NH2+]CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000494207097 561464578 /nfs/dbraw/zinc/46/45/78/561464578.db2.gz BAQGDFBKZMNLOD-SUMWQHHRSA-N 1 0 354.372 2.330 20 30 FEEDRO COc1cc(OC)cc(OCCC[N@H+](C)CCC(=O)N(C)CCC#N)c1 ZINC000271519010 550381623 /nfs/dbraw/zinc/38/16/23/550381623.db2.gz IZDRGVZABZBLJX-UHFFFAOYSA-N 1 0 363.458 2.167 20 30 FEEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH2+][C@@]1(C)CCO[C@@H]1C ZINC000494256356 561465826 /nfs/dbraw/zinc/46/58/26/561465826.db2.gz IPQUWONZBGINPJ-BEFAXECRSA-N 1 0 362.474 2.109 20 30 FEEDRO C[C@@H]([NH2+]CCCN1CCC[C@H]1C(=O)N(C)C)c1ccc(OCC#N)cc1 ZINC000271809830 550403286 /nfs/dbraw/zinc/40/32/86/550403286.db2.gz AQGFYSOOLXWGGY-APWZRJJASA-N 1 0 358.486 2.182 20 30 FEEDRO Cc1cc(NC(=O)NCc2ccccc2OCC[NH+](C)C)nn1CCC#N ZINC000272133038 550424805 /nfs/dbraw/zinc/42/48/05/550424805.db2.gz VEEUPIPPAPLTGK-UHFFFAOYSA-N 1 0 370.457 2.367 20 30 FEEDRO CC(C)(O)C(C)(C)[NH2+]CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000272623359 550461277 /nfs/dbraw/zinc/46/12/77/550461277.db2.gz VCXYIZSGOSOYQK-UHFFFAOYSA-N 1 0 356.388 2.312 20 30 FEEDRO C=CCS(=O)(=O)CC[NH2+][C@@H]1CCc2cc(Br)ccc2C1 ZINC000272797226 550471341 /nfs/dbraw/zinc/47/13/41/550471341.db2.gz AVCJROIXMNZPLX-OAHLLOKOSA-N 1 0 358.301 2.497 20 30 FEEDRO C=CCCOCCNC(=O)NCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000272931501 550477080 /nfs/dbraw/zinc/47/70/80/550477080.db2.gz CHNJKGNPYLDVQL-LJQANCHMSA-N 1 0 361.486 2.035 20 30 FEEDRO C=C(C)CN(CC)C(=O)C[NH2+][C@@H](CO)c1ccc(Br)cc1 ZINC000273050075 550482532 /nfs/dbraw/zinc/48/25/32/550482532.db2.gz FJHOFEXPBQMSTG-HNNXBMFYSA-N 1 0 355.276 2.497 20 30 FEEDRO C[C@H]([NH2+]CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)c1cnn(C)c1 ZINC000273251770 550491607 /nfs/dbraw/zinc/49/16/07/550491607.db2.gz CKIPAOARSIMNAP-ZDUSSCGKSA-N 1 0 364.371 2.257 20 30 FEEDRO CS[C@@H]1CN(S(=O)(=O)c2cc(C#N)ccc2C)C[C@H]1[NH+]1CCCC1 ZINC000274851367 550559647 /nfs/dbraw/zinc/55/96/47/550559647.db2.gz UKPGZROMKLSHDB-HZPDHXFCSA-N 1 0 365.524 2.067 20 30 FEEDRO C=CCNc1ncc(C(=O)N2C[C@@H](SC)[C@@H]([NH+]3CCCC3)C2)s1 ZINC000275112253 550570628 /nfs/dbraw/zinc/57/06/28/550570628.db2.gz LQXGQLSQIXBFOF-GXTWGEPZSA-N 1 0 352.529 2.393 20 30 FEEDRO C=CCCN(C)C(=O)C(=O)Nc1ccccc1CN1C[C@@H](C)O[C@@H](C)C1 ZINC000276513651 550578821 /nfs/dbraw/zinc/57/88/21/550578821.db2.gz XWMJTAYJYQHCPP-IYBDPMFKSA-N 1 0 359.470 2.269 20 30 FEEDRO C=CCC[N@@H+](C)[C@H](C)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000276488050 550578860 /nfs/dbraw/zinc/57/88/60/550578860.db2.gz UJBUQCMZDBLWLU-GFCCVEGCSA-N 1 0 373.906 2.425 20 30 FEEDRO C[C@@H]1c2nncn2CCN1CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000276811540 550598770 /nfs/dbraw/zinc/59/87/70/550598770.db2.gz NILDSPKHESYBHG-LLVKDONJSA-N 1 0 356.455 2.105 20 30 FEEDRO C[C@H]([NH2+]Cc1ccc(S(=O)(=O)CCO)cc1)c1ccc(C#N)c(F)c1 ZINC000276910156 550609953 /nfs/dbraw/zinc/60/99/53/550609953.db2.gz OWGFCJMPRNRVEG-ZDUSSCGKSA-N 1 0 362.426 2.314 20 30 FEEDRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)c1cccnc1C#N ZINC000276980553 550617760 /nfs/dbraw/zinc/61/77/60/550617760.db2.gz GYGOFTIOQTVHKV-QGZVFWFLSA-N 1 0 370.478 2.096 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)NCc2cccc(Br)c2O)CC1 ZINC000277470045 550674477 /nfs/dbraw/zinc/67/44/77/550674477.db2.gz HUEPSKYIJMOOKD-UHFFFAOYSA-N 1 0 351.244 2.116 20 30 FEEDRO C#CC[NH+]1CCC(c2nc(-c3cccc(C(=O)NCC=C)c3)no2)CC1 ZINC000278180951 550758064 /nfs/dbraw/zinc/75/80/64/550758064.db2.gz UIONAEPFCKMWHR-UHFFFAOYSA-N 1 0 350.422 2.465 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H](C)c2nc(-c3cc(C)ccn3)n[nH]2)CC1 ZINC000278386555 550779916 /nfs/dbraw/zinc/77/99/16/550779916.db2.gz DJUPLKJGBFQANH-AWEZNQCLSA-N 1 0 369.473 2.186 20 30 FEEDRO C[C@H]1CN(C2CC2)C[C@H]1[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000278668212 550809617 /nfs/dbraw/zinc/80/96/17/550809617.db2.gz NVVDKOGVWRAFDM-HNAYVOBHSA-N 1 0 350.470 2.431 20 30 FEEDRO CS[C@@H]1CN(C(=O)c2cc(-c3cccc(C#N)c3)no2)C[C@H]1[NH+](C)C ZINC000279408215 550886903 /nfs/dbraw/zinc/88/69/03/550886903.db2.gz IOTBLPNQVAJINA-NVXWUHKLSA-N 1 0 356.451 2.331 20 30 FEEDRO C[C@H]1C[N@H+](CCCNC(=O)c2cc(-c3cccc(C#N)c3)no2)CCCO1 ZINC000280006698 550951839 /nfs/dbraw/zinc/95/18/39/550951839.db2.gz CCZGINBMOIKFBI-HNNXBMFYSA-N 1 0 368.437 2.444 20 30 FEEDRO C[C@@H](NC(=[NH2+])NCC(=O)NCC(F)F)c1ccc(Cl)cc1Cl ZINC000280007594 550952009 /nfs/dbraw/zinc/95/20/09/550952009.db2.gz INDRFHQNBKUECW-SSDOTTSWSA-N 1 0 353.200 2.340 20 30 FEEDRO CS[C@@H]1CN(C(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)C[C@@H]1[NH+]1CCCC1 ZINC000280208211 550971528 /nfs/dbraw/zinc/97/15/28/550971528.db2.gz FTNMYUVZUKCVKT-CEXWTWQISA-N 1 0 368.506 2.279 20 30 FEEDRO C=C(C)CS(=O)(=O)N[C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000280528052 551004162 /nfs/dbraw/zinc/00/41/62/551004162.db2.gz GNOWUFJRCDEZOC-CQSZACIVSA-N 1 0 355.479 2.134 20 30 FEEDRO Cc1oc(C#N)cc1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000280981148 551051691 /nfs/dbraw/zinc/05/16/91/551051691.db2.gz DAXMPDQRMHVQNY-VQIMIIECSA-N 1 0 353.422 2.073 20 30 FEEDRO Cc1nn(CCS(C)(=O)=O)c(C)c1C[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000281229630 551076086 /nfs/dbraw/zinc/07/60/86/551076086.db2.gz HSHKSPURUSYSHG-CYBMUJFWSA-N 1 0 360.483 2.267 20 30 FEEDRO COc1cc(C#N)ccc1C[NH+]1CCC(CNC(=O)C(F)(F)F)CC1 ZINC000281314669 551083791 /nfs/dbraw/zinc/08/37/91/551083791.db2.gz KTDHNQRYUXWQMT-UHFFFAOYSA-N 1 0 355.360 2.457 20 30 FEEDRO CN(CCC[NH+]1CCCC1)CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000281428786 551096315 /nfs/dbraw/zinc/09/63/15/551096315.db2.gz SGKGEYDZIJZPBR-UHFFFAOYSA-N 1 0 366.469 2.100 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCC[C@@H]2[C@H]2CCCC[C@H]2O)cc1 ZINC000281534154 551109807 /nfs/dbraw/zinc/10/98/07/551109807.db2.gz WKRRNYDAOVGVLV-GUDVDZBRSA-N 1 0 362.495 2.347 20 30 FEEDRO COc1cc(C[NH2+]Cc2ccc(N3CCCS3(=O)=O)cc2)ccc1C#N ZINC000281562319 551113850 /nfs/dbraw/zinc/11/38/50/551113850.db2.gz BYJWMUDFOFCJSR-UHFFFAOYSA-N 1 0 371.462 2.397 20 30 FEEDRO C#C[C@H](NC(=O)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1)C(C)C ZINC000281673517 551128964 /nfs/dbraw/zinc/12/89/64/551128964.db2.gz ZMLKATWXXQHSJD-IBGZPJMESA-N 1 0 355.482 2.428 20 30 FEEDRO COc1cc(C[NH2+]C[C@@H](O)CN2CCc3ccccc3C2)ccc1C#N ZINC000281790032 551143568 /nfs/dbraw/zinc/14/35/68/551143568.db2.gz UJKSBSVCQBMIGM-HXUWFJFHSA-N 1 0 351.450 2.076 20 30 FEEDRO C=CCN1CC[C@@H]([N@H+](C)C[C@@H](O)COc2ccccc2C(F)(F)F)C1=O ZINC000281869027 551150780 /nfs/dbraw/zinc/15/07/80/551150780.db2.gz BZQLRAYHGIMDBB-UKRRQHHQSA-N 1 0 372.387 2.164 20 30 FEEDRO C[C@@H]([NH2+]CCCC1(C#N)CCOCC1)c1cccc(S(N)(=O)=O)c1 ZINC000281932504 551159444 /nfs/dbraw/zinc/15/94/44/551159444.db2.gz IEVLSSQQDPEHRN-CQSZACIVSA-N 1 0 351.472 2.085 20 30 FEEDRO CC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)[C@@H]1CCNC1=O ZINC000282278598 551205378 /nfs/dbraw/zinc/20/53/78/551205378.db2.gz IBRUPAMQDLUFGP-CQSZACIVSA-N 1 0 360.483 2.038 20 30 FEEDRO C=CCn1c(-c2cnn(C)c2)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000282297519 551208234 /nfs/dbraw/zinc/20/82/34/551208234.db2.gz OJYMNROUYMPHIK-MRXNPFEDSA-N 1 0 355.490 2.177 20 30 FEEDRO COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@@H](C)[N@@H+]2CCC(=O)Nc2ccc(C#N)cc2)O1 ZINC000282365757 551218153 /nfs/dbraw/zinc/21/81/53/551218153.db2.gz DOKSQKNTHITYQR-PILAGYSTSA-N 1 0 371.437 2.070 20 30 FEEDRO C=CCn1c(-c2cnn(C)c2)nnc1N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000282644903 551255530 /nfs/dbraw/zinc/25/55/30/551255530.db2.gz QCGMSAUOKPCFDR-QAPCUYQASA-N 1 0 367.501 2.318 20 30 FEEDRO CC[NH+](CC)Cc1cccc(CNS(=O)(=O)N(C)[C@@H](C)CC#N)c1 ZINC000282967430 551290912 /nfs/dbraw/zinc/29/09/12/551290912.db2.gz LATBTBHYESBBSS-HNNXBMFYSA-N 1 0 352.504 2.097 20 30 FEEDRO C#Cc1cc(F)c(NC(=O)C(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)c(F)c1 ZINC000283069526 551306770 /nfs/dbraw/zinc/30/67/70/551306770.db2.gz XIJOLTXWPURYRQ-STQMWFEESA-N 1 0 363.408 2.121 20 30 FEEDRO C[C@H](NC(=O)C(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C)c1ccc(C#N)cc1 ZINC000283534111 551383079 /nfs/dbraw/zinc/38/30/79/551383079.db2.gz DKSOICIYUBEUAK-YJBOKZPZSA-N 1 0 356.470 2.068 20 30 FEEDRO C=CCCCNC(=O)C(=O)NC[C@H](c1ccccc1OC)[NH+]1CCCC1 ZINC000283570354 551389261 /nfs/dbraw/zinc/38/92/61/551389261.db2.gz UGUGTRFHBZEPHQ-QGZVFWFLSA-N 1 0 359.470 2.031 20 30 FEEDRO C=CCN1CC[C@@H](ON=C(N)c2cccc(C[NH+]3CCCCC3)c2)C1=O ZINC000283581670 551391559 /nfs/dbraw/zinc/39/15/59/551391559.db2.gz RFIPSPCFGLKMJD-GOSISDBHSA-N 1 0 356.470 2.096 20 30 FEEDRO CN1CC[C@H]([NH2+]CC(=O)N[C@@](C)(C#N)C2CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000283650441 551403271 /nfs/dbraw/zinc/40/32/71/551403271.db2.gz BDRSFFSLBMTWDL-UHOSZYNNSA-N 1 0 362.424 2.108 20 30 FEEDRO C[N@@H+]1CCCC[C@H]1CCC(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 ZINC000498017867 561513985 /nfs/dbraw/zinc/51/39/85/561513985.db2.gz JMISGONPVKWFDR-PMACEKPBSA-N 1 0 354.498 2.487 20 30 FEEDRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N[C@@H](C)c2ccc(C#N)cc2)C1 ZINC000283913414 551448747 /nfs/dbraw/zinc/44/87/47/551448747.db2.gz IQINYNMNPYDAKH-WMZOPIPTSA-N 1 0 370.497 2.220 20 30 FEEDRO C[N@@H+]1CCN(C[C@H](O)COc2ccc(C#N)cc2)C[C@@H]1Cc1ccccc1 ZINC000283992918 551464062 /nfs/dbraw/zinc/46/40/62/551464062.db2.gz DECKJOXSNPWHJV-SFTDATJTSA-N 1 0 365.477 2.157 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)NCCCCOC(C)C)C(C)C ZINC000284055012 551475374 /nfs/dbraw/zinc/47/53/74/551475374.db2.gz MYIXXGFCBZNTPE-SFHVURJKSA-N 1 0 367.534 2.123 20 30 FEEDRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@@H](C)c2ccc(C#N)cc2)CC1=O ZINC000498190972 561517984 /nfs/dbraw/zinc/51/79/84/561517984.db2.gz SCLRHQJEZWKFKR-ZYSHUDEJSA-N 1 0 368.481 2.068 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)NCc2cccc(OCCCC)c2)CC1 ZINC000284342368 551527947 /nfs/dbraw/zinc/52/79/47/551527947.db2.gz XIIXWXUQVRIXHM-UHFFFAOYSA-N 1 0 373.497 2.248 20 30 FEEDRO CNC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000498368749 561523583 /nfs/dbraw/zinc/52/35/83/561523583.db2.gz CGSHSJLQLFZXFN-ZWKOTPCHSA-N 1 0 351.454 2.468 20 30 FEEDRO Cc1nc(C(=O)N(C)C[C@@H]2CCC[N@H+](C)[C@H]2c2ccnn2C)ccc1C#N ZINC000284696673 551610771 /nfs/dbraw/zinc/61/07/71/551610771.db2.gz YHRBBJNIGQHRTP-QFBILLFUSA-N 1 0 366.469 2.150 20 30 FEEDRO COC(=O)Nc1cccc(CNC(=[NH2+])NCc2ccc(OC)c(OC)c2)c1 ZINC000284989591 551684865 /nfs/dbraw/zinc/68/48/65/551684865.db2.gz HILKZQARLVIQGF-UHFFFAOYSA-N 1 0 372.425 2.487 20 30 FEEDRO C=CCN(CCc1ccccc1)C(=O)C(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000285387478 551747955 /nfs/dbraw/zinc/74/79/55/551747955.db2.gz UYBIFRRHFJRKRB-UHFFFAOYSA-N 1 0 371.525 2.480 20 30 FEEDRO C[NH+](C)CCNS(=O)(=O)c1cccc(NCc2ccc(C#N)s2)c1 ZINC000285735562 551803089 /nfs/dbraw/zinc/80/30/89/551803089.db2.gz XVTUDDMUPQCHGK-UHFFFAOYSA-N 1 0 364.496 2.072 20 30 FEEDRO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1C[C@@H](N2CCOCC2)C[C@H]1C ZINC000285771425 551808430 /nfs/dbraw/zinc/80/84/30/551808430.db2.gz DMBCBSOFXNYWJR-HBFSDRIKSA-N 1 0 370.497 2.117 20 30 FEEDRO COc1ccc([C@@H](C)[NH2+]CCNC(=O)C2N=CC=CC2=O)c(C)c1OC ZINC000285948051 551830665 /nfs/dbraw/zinc/83/06/65/551830665.db2.gz DUBGCHWEHQRXRN-JPWUFHEYSA-N 1 0 359.426 2.189 20 30 FEEDRO CN(CCC#N)C(=O)CC[NH2+][C@](C)(CO)c1ccc(Br)cc1 ZINC000286328821 551874860 /nfs/dbraw/zinc/87/48/60/551874860.db2.gz DQLKBTMZMRIXEO-MRXNPFEDSA-N 1 0 368.275 2.008 20 30 FEEDRO COC(=O)[C@@]1(C(F)(F)F)CCN([C@@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000286350919 551877389 /nfs/dbraw/zinc/87/73/89/551877389.db2.gz FNMJUCBCQTVIQZ-MEDUHNTESA-N 1 0 369.343 2.313 20 30 FEEDRO C=CCN(Cc1ccccc1)C(=O)C(=O)NC1CC[NH+](CC(=C)C)CC1 ZINC000286432556 551884793 /nfs/dbraw/zinc/88/47/93/551884793.db2.gz GNPXLOCQVNNPRZ-UHFFFAOYSA-N 1 0 355.482 2.358 20 30 FEEDRO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2S(=O)(=O)c1ccc(C#N)o1 ZINC000286442960 551885802 /nfs/dbraw/zinc/88/58/02/551885802.db2.gz HZVURXGMMZMNLM-RDJZCZTQSA-N 1 0 357.435 2.456 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCC[C@H]2c2ccccc2)CC1 ZINC000286624314 551907577 /nfs/dbraw/zinc/90/75/77/551907577.db2.gz MBRDFFWTZDKZJO-RBUKOAKNSA-N 1 0 355.482 2.206 20 30 FEEDRO C#CC[C@@H](Cc1ccccc1)NC(=O)NC[C@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000286919230 551940260 /nfs/dbraw/zinc/94/02/60/551940260.db2.gz AWPJPNSOIYZLNP-LEWJYISDSA-N 1 0 370.541 2.192 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H](CCC)Cc2ccccc2)CC1 ZINC000287502576 552012405 /nfs/dbraw/zinc/01/24/05/552012405.db2.gz YXOYJBBPOLFAMM-LJQANCHMSA-N 1 0 357.498 2.281 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H](c2ccccc2)C2CCC2)CC1 ZINC000287698612 552035734 /nfs/dbraw/zinc/03/57/34/552035734.db2.gz KHGXRECDOQAXJR-LJQANCHMSA-N 1 0 355.482 2.411 20 30 FEEDRO C[C@@H]1[C@@H](NC(=O)C(=O)Nc2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000287721840 552038153 /nfs/dbraw/zinc/03/81/53/552038153.db2.gz ACJYSCQHHUSOEG-BEFAXECRSA-N 1 0 362.433 2.276 20 30 FEEDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)C(=O)Nc1ccc(Cl)c(C#N)c1 ZINC000288144847 552099205 /nfs/dbraw/zinc/09/92/05/552099205.db2.gz LRMKEMOKXXSIFF-MLGOLLRUSA-N 1 0 360.845 2.235 20 30 FEEDRO C#C[C@@H](NC(=O)C(=O)Nc1ccccc1C[NH+]1CCSCC1)C(C)(C)C ZINC000288400177 552147074 /nfs/dbraw/zinc/14/70/74/552147074.db2.gz MECYEWNHDSMVIP-QGZVFWFLSA-N 1 0 373.522 2.338 20 30 FEEDRO Cc1cc(C#N)nc(N2CCC(C(=O)NCC[NH+](C(C)C)C(C)C)CC2)n1 ZINC000288454290 552155952 /nfs/dbraw/zinc/15/59/52/552155952.db2.gz NXGYUICGWDTSPH-UHFFFAOYSA-N 1 0 372.517 2.108 20 30 FEEDRO CC(C)(CCC#N)CNC(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000500192873 561567638 /nfs/dbraw/zinc/56/76/38/561567638.db2.gz YZLBCDNJHZFZHA-DLBZAZTESA-N 1 0 350.507 2.383 20 30 FEEDRO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000289432411 552320660 /nfs/dbraw/zinc/32/06/60/552320660.db2.gz SBWRCBNCMDQVQJ-OMWUSAIZSA-N 1 0 364.440 2.308 20 30 FEEDRO COC(=O)[C@H](N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)C1(OC)CCC1 ZINC000289442995 552322077 /nfs/dbraw/zinc/32/20/77/552322077.db2.gz WQIJDJJXORWBGY-IBGZPJMESA-N 1 0 371.481 2.177 20 30 FEEDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1ccccc1O[C@@H](C)C#N ZINC000290099602 552427442 /nfs/dbraw/zinc/42/74/42/552427442.db2.gz QHBLISDHOJDMJX-CABCVRRESA-N 1 0 360.458 2.153 20 30 FEEDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000290162358 552436823 /nfs/dbraw/zinc/43/68/23/552436823.db2.gz WZDNZGCFQFULSL-CQSZACIVSA-N 1 0 361.490 2.290 20 30 FEEDRO N#Cc1ccc(NC(=O)C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)cc1F ZINC000290357874 552466237 /nfs/dbraw/zinc/46/62/37/552466237.db2.gz ZCIQPMAMSYTXEA-MRXNPFEDSA-N 1 0 358.417 2.113 20 30 FEEDRO N#Cc1ccc(OC2CCC(NC(=O)C34CCC[NH+]3CCC4)CC2)nc1 ZINC000290428455 552477587 /nfs/dbraw/zinc/47/75/87/552477587.db2.gz SFAJJVRYVMAMBF-UHFFFAOYSA-N 1 0 354.454 2.388 20 30 FEEDRO COc1ccc(CNC(=[NH2+])NC[C@@]2(CO)C[C@@H]2c2ccccc2)cc1OC ZINC000290518201 552491955 /nfs/dbraw/zinc/49/19/55/552491955.db2.gz JBUZFFNBUMJOSZ-DYESRHJHSA-N 1 0 369.465 2.274 20 30 FEEDRO C=CCN(CC=C)C(=O)[C@@H](C)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000501116439 561590379 /nfs/dbraw/zinc/59/03/79/561590379.db2.gz RQUKYDDCSGVQFB-HSALFYBXSA-N 1 0 362.562 2.066 20 30 FEEDRO C=CCN(CC=C)C(=O)[C@H](C)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000501116441 561590424 /nfs/dbraw/zinc/59/04/24/561590424.db2.gz RQUKYDDCSGVQFB-ZCNNSNEGSA-N 1 0 362.562 2.066 20 30 FEEDRO COCCOCc1ccc(CNC(=[NH2+])NCc2ccccc2OC)cc1 ZINC000290914563 552560764 /nfs/dbraw/zinc/56/07/64/552560764.db2.gz GTYUOMBJVNAPTJ-UHFFFAOYSA-N 1 0 357.454 2.463 20 30 FEEDRO N#C[C@@H]1CN(C(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000291194649 552598718 /nfs/dbraw/zinc/59/87/18/552598718.db2.gz JTHDFNXIKSMWJD-RTBURBONSA-N 1 0 356.470 2.223 20 30 FEEDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)C1CCN(c2oc(C)nc2C#N)CC1 ZINC000291460685 552626768 /nfs/dbraw/zinc/62/67/68/552626768.db2.gz DFMBEUIFYFTVID-CQSZACIVSA-N 1 0 361.490 2.308 20 30 FEEDRO C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CC[C@H](n3cccn3)C2)c(OC)c1 ZINC000292014061 552684783 /nfs/dbraw/zinc/68/47/83/552684783.db2.gz XXUXJAWFWXBIMH-ROUUACIJSA-N 1 0 357.454 2.307 20 30 FEEDRO C[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCN(c4ccc(C#N)cc4F)C3)C2)C1 ZINC000292048366 552688454 /nfs/dbraw/zinc/68/84/54/552688454.db2.gz AQUJZVONZCZWPG-UZLBHIALSA-N 1 0 356.445 2.078 20 30 FEEDRO N#Cc1ccc(O[C@@H]2CC[N@@H+](CCOc3ccccc3[N+](=O)[O-])C2)nc1 ZINC000292350147 552718631 /nfs/dbraw/zinc/71/86/31/552718631.db2.gz XKJPRWLEDHDJFM-OAHLLOKOSA-N 1 0 354.366 2.394 20 30 FEEDRO CC#CCN(C)C(=O)C(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000293277823 552806211 /nfs/dbraw/zinc/80/62/11/552806211.db2.gz CMEOHUXKPIXGCZ-UHFFFAOYSA-N 1 0 355.482 2.381 20 30 FEEDRO CS[C@@H]1CN(C(=O)c2cnc(C(F)(F)F)c(C#N)c2)C[C@H]1[NH+](C)C ZINC000293317568 552810810 /nfs/dbraw/zinc/81/08/10/552810810.db2.gz FJAWZEWIYBRSKW-VXGBXAGGSA-N 1 0 358.389 2.090 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(C(F)(F)F)c(C)c1 ZINC000293493228 552829269 /nfs/dbraw/zinc/82/92/69/552829269.db2.gz WOVKOVGOLJLRAW-UHFFFAOYSA-N 1 0 355.360 2.024 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(F)cc1OC(C)(C)C ZINC000293503054 552830273 /nfs/dbraw/zinc/83/02/73/552830273.db2.gz XKVWZPQSVWEKQO-UHFFFAOYSA-N 1 0 363.433 2.013 20 30 FEEDRO N#Cc1ccsc1NC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000293666692 552845329 /nfs/dbraw/zinc/84/53/29/552845329.db2.gz MJTIMRYDHVZTOS-UKRRQHHQSA-N 1 0 358.467 2.034 20 30 FEEDRO C[C@H]1C[C@@H](NC(=O)C(=O)Nc2sccc2C#N)C[N@@H+]1Cc1ccccc1 ZINC000294230827 552889827 /nfs/dbraw/zinc/88/98/27/552889827.db2.gz XNZCXLCNHIGPIM-XJKSGUPXSA-N 1 0 368.462 2.337 20 30 FEEDRO C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000501795509 561605633 /nfs/dbraw/zinc/60/56/33/561605633.db2.gz YTSQTZCBDKYMCH-FVJLSDCUSA-N 1 0 354.498 2.390 20 30 FEEDRO C=CCOc1ccc(CC(=O)N2CC[C@H](N3CC[NH+](CC)CC3)C2)cc1 ZINC000294593309 552918639 /nfs/dbraw/zinc/91/86/39/552918639.db2.gz LPOJQHVPIPYTCX-IBGZPJMESA-N 1 0 357.498 2.032 20 30 FEEDRO C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@H](c2cnn(C)c2)C2(C1)CCOCC2 ZINC000295148935 552963445 /nfs/dbraw/zinc/96/34/45/552963445.db2.gz NGCOXGNCUOJKGX-GOSISDBHSA-N 1 0 360.502 2.041 20 30 FEEDRO C[C@H]1CN(C(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)CC[N@@H+](C2CC2)C1 ZINC000295260509 552977832 /nfs/dbraw/zinc/97/78/32/552977832.db2.gz FZBCHMLQSKTCJN-WBVHZDCISA-N 1 0 370.472 2.466 20 30 FEEDRO CCN(CCC[NH+]1CCCC1)S(=O)(=O)Cc1ccc(F)cc1C#N ZINC000295827006 553064883 /nfs/dbraw/zinc/06/48/83/553064883.db2.gz CEUQQRCALUGMCQ-UHFFFAOYSA-N 1 0 353.463 2.335 20 30 FEEDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1S(=O)(=O)Cc1ccc(F)cc1C#N ZINC000295871043 553070005 /nfs/dbraw/zinc/07/00/05/553070005.db2.gz FQJBJFBPHXIHPC-DYVFJYSZSA-N 1 0 351.447 2.086 20 30 FEEDRO C=CCN1C(=O)c2ccc(C(=O)NC3CC[NH+](CC(C)C)CC3)cc2C1=O ZINC000502624734 561622298 /nfs/dbraw/zinc/62/22/98/561622298.db2.gz APVATXBXQUAAJF-UHFFFAOYSA-N 1 0 369.465 2.319 20 30 FEEDRO Cc1ccc(N(CCC#N)C(=O)CN2CC[C@@H](OC(=O)N(C)C)C2)cc1C ZINC000296600397 553185432 /nfs/dbraw/zinc/18/54/32/553185432.db2.gz GBQSKDYTBOMWDJ-GOSISDBHSA-N 1 0 372.469 2.323 20 30 FEEDRO CC(C)([NH2+]CC(=O)NCc1cccc(C#N)c1)C(=O)NCC1CCCCC1 ZINC000502765901 561625122 /nfs/dbraw/zinc/62/51/22/561625122.db2.gz NMPZOUKSTTYMRV-UHFFFAOYSA-N 1 0 370.497 2.239 20 30 FEEDRO C#CCN(C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1OCC)C1CC1 ZINC000296775611 553210181 /nfs/dbraw/zinc/21/01/81/553210181.db2.gz HQCDSPGXEVRFNJ-UHFFFAOYSA-N 1 0 356.470 2.467 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)N1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000296842001 553218966 /nfs/dbraw/zinc/21/89/66/553218966.db2.gz JIUWPODNKVEVTN-UHFFFAOYSA-N 1 0 371.407 2.204 20 30 FEEDRO CO[C@H](CNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)C1CC1 ZINC000296931356 553231455 /nfs/dbraw/zinc/23/14/55/553231455.db2.gz OYGCHARFHOFRBV-LJQANCHMSA-N 1 0 356.470 2.201 20 30 FEEDRO N#Cc1cc(F)ccc1CS(=O)(=O)NCCCCC[NH+]1CCCC1 ZINC000297011536 553241765 /nfs/dbraw/zinc/24/17/65/553241765.db2.gz KEGJYUVUOMMFBO-UHFFFAOYSA-N 1 0 353.463 2.383 20 30 FEEDRO Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NCc1ccc2c[nH+]cn2c1 ZINC000297106456 553253815 /nfs/dbraw/zinc/25/38/15/553253815.db2.gz GGUGYHKIKGPLOO-UHFFFAOYSA-N 1 0 373.420 2.115 20 30 FEEDRO N#Cc1ccc(O[C@@H]2CCN(C(=O)NCCCCC[NH+]3CCCC3)C2)nc1 ZINC000297816379 553342499 /nfs/dbraw/zinc/34/24/99/553342499.db2.gz QCYGROIHOKMECW-GOSISDBHSA-N 1 0 371.485 2.382 20 30 FEEDRO CO[C@H]1COC[C@@H]1[NH2+]CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000298419262 553423187 /nfs/dbraw/zinc/42/31/87/553423187.db2.gz FWGGOMUXXWWCKB-UGFHNGPFSA-N 1 0 363.483 2.077 20 30 FEEDRO COc1ccc(OCCN(C)CC(=O)NCc2ccc(C#N)cc2)cc1 ZINC000298457495 553426998 /nfs/dbraw/zinc/42/69/98/553426998.db2.gz JXBGHCIZVXYBEH-UHFFFAOYSA-N 1 0 353.422 2.194 20 30 FEEDRO COc1ccc(OC)c(NC(=O)CO[NH+]=C(N)c2ccc(N(C)C)cc2)c1 ZINC000298927634 553490997 /nfs/dbraw/zinc/49/09/97/553490997.db2.gz AWTPLVGMGKZCDG-UHFFFAOYSA-N 1 0 372.425 2.045 20 30 FEEDRO C[C@@H](CC[NH+](C)C)NC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000299502555 553572465 /nfs/dbraw/zinc/57/24/65/553572465.db2.gz KITJUMNFOOVIMG-HNNXBMFYSA-N 1 0 371.485 2.259 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)NCc2ccc(C(=O)OC)c(C3CC3)n2)CC1 ZINC000504412094 561657802 /nfs/dbraw/zinc/65/78/02/561657802.db2.gz UTFHFUSEYCFZBK-UHFFFAOYSA-N 1 0 372.469 2.195 20 30 FEEDRO C[N@H+](Cc1ccccc1)C1CN(C[C@H](O)COc2ccc(CC#N)cc2)C1 ZINC000504657652 561660732 /nfs/dbraw/zinc/66/07/32/561660732.db2.gz HBLMGTUAQTULPL-NRFANRHFSA-N 1 0 365.477 2.309 20 30 FEEDRO N#Cc1cc(S(N)(=O)=O)ccc1NC1CC[NH+](Cc2ccccc2)CC1 ZINC000301336513 553643314 /nfs/dbraw/zinc/64/33/14/553643314.db2.gz GKXDQHHYISQGFL-UHFFFAOYSA-N 1 0 370.478 2.282 20 30 FEEDRO C[NH+](C)[C@@H](CNc1ccc(S(N)(=O)=O)cc1C#N)c1ccc(F)cc1 ZINC000301372952 553646094 /nfs/dbraw/zinc/64/60/94/553646094.db2.gz QHDIZRRWRMVLBZ-KRWDZBQOSA-N 1 0 362.430 2.060 20 30 FEEDRO N#Cc1cc(C(F)(F)F)ccc1N1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000301906511 553690790 /nfs/dbraw/zinc/69/07/90/553690790.db2.gz AETQUFDZXKHSEI-MRXNPFEDSA-N 1 0 366.387 2.496 20 30 FEEDRO N#Cc1ccc([N+](=O)[O-])c(NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c1 ZINC000302198505 553709939 /nfs/dbraw/zinc/70/99/39/553709939.db2.gz GBTUXDUQMMZXDK-QGZVFWFLSA-N 1 0 352.394 2.298 20 30 FEEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000505555181 561673865 /nfs/dbraw/zinc/67/38/65/561673865.db2.gz JFPBQHADROVZRC-FQEVSTJZSA-N 1 0 357.502 2.291 20 30 FEEDRO CCN1CC[NH+](C[C@H](C)CNc2cc(C#N)c(Br)cn2)CC1 ZINC000603280329 553752502 /nfs/dbraw/zinc/75/25/02/553752502.db2.gz UXSMHBHGZGQSFX-CYBMUJFWSA-N 1 0 366.307 2.401 20 30 FEEDRO CC[N@@H+]1CCC[C@H](CNS(=O)(=O)c2cccc(C(=O)NC3CC3)c2)C1 ZINC000328682670 553806815 /nfs/dbraw/zinc/80/68/15/553806815.db2.gz DCINSMACQQWCBM-CQSZACIVSA-N 1 0 365.499 2.164 20 30 FEEDRO Cc1ccc2c(c1)nc(CNC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1)n2C ZINC000328685680 553807345 /nfs/dbraw/zinc/80/73/45/553807345.db2.gz FTPMESDANOUGHS-INIZCTEOSA-N 1 0 373.501 2.242 20 30 FEEDRO O=C(N[C@@H]1CCCC12CCOCC2)N1CCC[C@@H]1CN1CCOCC1 ZINC000328694010 553808233 /nfs/dbraw/zinc/80/82/33/553808233.db2.gz FVTJVBGBRQELLU-IAGOWNOFSA-N 1 0 351.491 2.046 20 30 FEEDRO COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)C2CC[NH+](C3CC3)CC2)C1 ZINC000328701496 553809117 /nfs/dbraw/zinc/80/91/17/553809117.db2.gz NJEHJTCMQXWAMS-GOEBONIOSA-N 1 0 351.491 2.091 20 30 FEEDRO O=C(Nc1ccccc1C[NH+]1CCC(O)CC1)[C@@H]1CCc2n[nH]nc2C1 ZINC000328766046 553819259 /nfs/dbraw/zinc/81/92/59/553819259.db2.gz HAWGPUSYTQLTLH-CYBMUJFWSA-N 1 0 355.442 2.155 20 30 FEEDRO C[C@@H](C(=O)NC1CCCC1)N1CCN(C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000328797446 553823306 /nfs/dbraw/zinc/82/33/06/553823306.db2.gz FCTVHSVANCWQAC-HNNXBMFYSA-N 1 0 369.469 2.380 20 30 FEEDRO COc1cnc(NC(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)s1 ZINC000328804135 553824457 /nfs/dbraw/zinc/82/44/57/553824457.db2.gz BPAUNNIRVJGLBD-UHFFFAOYSA-N 1 0 353.492 2.036 20 30 FEEDRO CC[NH+]1CCN([C@H](C)CNC(=O)Nc2nc3c(s2)CCCC3)CC1 ZINC000328806525 553825216 /nfs/dbraw/zinc/82/52/16/553825216.db2.gz DGCHYHQXNSUIKM-CYBMUJFWSA-N 1 0 351.520 2.374 20 30 FEEDRO O=C(NCc1ccnc(N2CCOCC2)c1)c1coc(C2CCOCC2)n1 ZINC000328819394 553827323 /nfs/dbraw/zinc/82/73/23/553827323.db2.gz QIQXUFRCKUVJCA-UHFFFAOYSA-N 1 0 372.425 2.305 20 30 FEEDRO O=C(N[C@H]1CCCC12CCOCC2)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000328833345 553829412 /nfs/dbraw/zinc/82/94/12/553829412.db2.gz RTMCUAWBXVJKLV-WMZOPIPTSA-N 1 0 365.518 2.340 20 30 FEEDRO C[C@@H]1C[N@H+](CC(=O)N2CCC(NC(=O)c3ccccc3)CC2)CCCO1 ZINC000328842267 553831228 /nfs/dbraw/zinc/83/12/28/553831228.db2.gz IAGBWHPXBVYQLK-MRXNPFEDSA-N 1 0 359.470 2.093 20 30 FEEDRO Cc1c(C(=O)NC2CC[NH+](C3CCCCC3)CC2)nnn1-c1ccn(C)n1 ZINC000328904420 553842050 /nfs/dbraw/zinc/84/20/50/553842050.db2.gz JHYJZQBIXYHQIT-UHFFFAOYSA-N 1 0 371.489 2.411 20 30 FEEDRO O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)NC1CC[NH+](CC2CC2)CC1 ZINC000328919420 553844875 /nfs/dbraw/zinc/84/48/75/553844875.db2.gz SLMMKTTXLBQSLK-IAGOWNOFSA-N 1 0 361.486 2.383 20 30 FEEDRO C[C@]1(O)CCOC[C@@H]1[C@@H]1CCC[N@@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000328954680 553852974 /nfs/dbraw/zinc/85/29/74/553852974.db2.gz IOAYALHSYDSQRK-UWVAXJGDSA-N 1 0 368.437 2.360 20 30 FEEDRO CO[C@H]1C[C@@H](CN(C)CC(=O)Nc2nc3c(s2)CCCC3)[N@H+](C)C1 ZINC000329000930 553862193 /nfs/dbraw/zinc/86/21/93/553862193.db2.gz GUULSRNEPNHKTF-STQMWFEESA-N 1 0 352.504 2.261 20 30 FEEDRO CC(C)[NH+]1CCC(NC(=O)c2cnn3c2[nH]c(=O)c2ccccc23)CC1 ZINC000329019064 553865989 /nfs/dbraw/zinc/86/59/89/553865989.db2.gz RTJJPQTXDVLOOW-UHFFFAOYSA-N 1 0 353.426 2.353 20 30 FEEDRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cc3ccccc3c(=O)n2C)C1 ZINC000329028567 553867092 /nfs/dbraw/zinc/86/70/92/553867092.db2.gz WKWPHPHTNOTRKG-INIZCTEOSA-N 1 0 357.454 2.200 20 30 FEEDRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000329036645 553869126 /nfs/dbraw/zinc/86/91/26/553869126.db2.gz YXDQUKIQQLZKRT-IAGOWNOFSA-N 1 0 365.522 2.045 20 30 FEEDRO CCc1cc(N2CCC[C@H](NC(=O)N3C[C@H](C)[N@H+](CC)C[C@@H]3C)C2)ncn1 ZINC000329068239 553874438 /nfs/dbraw/zinc/87/44/38/553874438.db2.gz XLFVLVOMYSOROT-BQFCYCMXSA-N 1 0 374.533 2.336 20 30 FEEDRO COc1cccc([C@@H]2[C@H](NC(=O)[C@@H]3COCCN3C)CC[N@@H+]2C2CC2)c1 ZINC000329068876 553874505 /nfs/dbraw/zinc/87/45/05/553874505.db2.gz XUGBAMSEONCWIH-CEXWTWQISA-N 1 0 359.470 2.260 20 30 FEEDRO CC(=O)N1CCC[C@](O)(C(=O)NC[C@]2(C)CCC[N@@H+]2Cc2ccccc2)C1 ZINC000329082487 553877022 /nfs/dbraw/zinc/87/70/22/553877022.db2.gz SDBSAYBIMYCDEX-LEWJYISDSA-N 1 0 373.497 2.371 20 30 FEEDRO COc1ccc2c(c1)OC[C@H](NC(=O)N1CCCC13CC[NH+](C)CC3)C2 ZINC000329096689 553879498 /nfs/dbraw/zinc/87/94/98/553879498.db2.gz YIBWWRGUEHZCCP-MRXNPFEDSA-N 1 0 359.470 2.473 20 30 FEEDRO CCC(=O)N1CCC[C@H](C(=O)NCC2([NH+]3CCCC3)CCOCC2)C1 ZINC000329119237 553883707 /nfs/dbraw/zinc/88/37/07/553883707.db2.gz VICOATMHQJYIEE-INIZCTEOSA-N 1 0 351.491 2.237 20 30 FEEDRO CC(C)N1C(=O)N[C@@H]2CN(C(=O)N[C@@H](C)C[N@@H+]3CCC[C@@H](C)C3)CC[C@@H]21 ZINC000329148745 553889700 /nfs/dbraw/zinc/88/97/00/553889700.db2.gz YMYDOFREKVKKRV-TWMKSMIVSA-N 1 0 365.522 2.102 20 30 FEEDRO CN1CC[C@@H]([NH+]2CCC(NC(=O)c3scnc3C(C)(C)C)CC2)C1=O ZINC000329169424 553894383 /nfs/dbraw/zinc/89/43/83/553894383.db2.gz JOUGWPNMFGWIDR-CYBMUJFWSA-N 1 0 364.515 2.440 20 30 FEEDRO C[NH+](C)Cc1ccc(CNC(=O)N2CCC[C@@H]2[C@@H]2COCC[C@@H]2O)cc1 ZINC000329198659 553900278 /nfs/dbraw/zinc/90/02/78/553900278.db2.gz APFGKFJLQOEPSW-OTWHNJEPSA-N 1 0 361.486 2.024 20 30 FEEDRO Cc1cc(N2CCC(NC(=O)N3C[C@H]([NH+]4CCCC4)C[C@H]3C)CC2)n[nH]1 ZINC000329198665 553900419 /nfs/dbraw/zinc/90/04/19/553900419.db2.gz APINSEMFRWGPFS-NVXWUHKLSA-N 1 0 360.506 2.160 20 30 FEEDRO CCCc1nc(C)c(C(=O)NC2CC[NH+]([C@@H]3CCN(C)C3=O)CC2)s1 ZINC000329208481 553902623 /nfs/dbraw/zinc/90/26/23/553902623.db2.gz YQTVFYHZRSDOJQ-CQSZACIVSA-N 1 0 364.515 2.404 20 30 FEEDRO CNC(=O)C1CCC(NC(=O)N2C[C@@H](OC)C[C@H]2C[NH+]2CCCC2)CC1 ZINC000329211683 553903259 /nfs/dbraw/zinc/90/32/59/553903259.db2.gz ZKIPVRHBXSFIPN-GQGLESIBSA-N 1 0 366.506 2.231 20 30 FEEDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000329231671 553907497 /nfs/dbraw/zinc/90/74/97/553907497.db2.gz KUTBMPBNIHOLRH-IAGOWNOFSA-N 1 0 350.507 2.109 20 30 FEEDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2cccc(C#N)c2)C1 ZINC000506399266 561697869 /nfs/dbraw/zinc/69/78/69/561697869.db2.gz TVFANHYMMIVDGL-HNAYVOBHSA-N 1 0 362.433 2.448 20 30 FEEDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)N[C@@H]3CCN(C(=O)C4CCCCC4)C3)[C@H]2C1 ZINC000329257237 553912133 /nfs/dbraw/zinc/91/21/33/553912133.db2.gz BVRVMEGRUOLSMM-NXHRZFHOSA-N 1 0 362.518 2.108 20 30 FEEDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)NCCc3csc(N4CCCC4)n3)[C@H]2C1 ZINC000329278820 553916546 /nfs/dbraw/zinc/91/65/46/553916546.db2.gz LIGVOWDWAFPCCP-ZBFHGGJFSA-N 1 0 363.531 2.226 20 30 FEEDRO CN(C(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1)[C@H]1C[NH+]2CCC1CC2 ZINC000329288171 553918645 /nfs/dbraw/zinc/91/86/45/553918645.db2.gz MPRMYMIACUEYKP-APWZRJJASA-N 1 0 356.445 2.076 20 30 FEEDRO CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)N[C@@H]2C[C@@](C)(OC)C2(C)C)C1 ZINC000329298790 553920302 /nfs/dbraw/zinc/92/03/02/553920302.db2.gz UUYIJBHAPKKTSC-YIOZNXECSA-N 1 0 353.507 2.289 20 30 FEEDRO CC[C@@H]1CN(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CCCO1 ZINC000329354924 553930638 /nfs/dbraw/zinc/93/06/38/553930638.db2.gz YRCWGKBIVHQLNM-KURKYZTESA-N 1 0 353.507 2.169 20 30 FEEDRO CCN1CCOC[C@H]1C(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000329376993 553934103 /nfs/dbraw/zinc/93/41/03/553934103.db2.gz MACBCEMXQYCUKY-KRWDZBQOSA-N 1 0 367.534 2.477 20 30 FEEDRO C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@@H+]1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000329430580 553945321 /nfs/dbraw/zinc/94/53/21/553945321.db2.gz HPGMKWSISAUSAX-OAGGEKHMSA-N 1 0 364.490 2.380 20 30 FEEDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)Nc1ccc2c(c1)C(=O)N(C)CC2 ZINC000329455197 553949854 /nfs/dbraw/zinc/94/98/54/553949854.db2.gz OCZGHAGBXFIJAG-PBHICJAKSA-N 1 0 356.470 2.419 20 30 FEEDRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)N1CCOC[C@@H]1[C@H]1CCCO1 ZINC000329525954 553962154 /nfs/dbraw/zinc/96/21/54/553962154.db2.gz HIDYQBKABQKINW-RTBURBONSA-N 1 0 374.485 2.092 20 30 FEEDRO CCO[C@@H]1C[C@H](NC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)[C@]12CCCO2 ZINC000329573748 553970217 /nfs/dbraw/zinc/97/02/17/553970217.db2.gz NMQORWUEZICTQO-SFNKJDCFSA-N 1 0 351.491 2.187 20 30 FEEDRO C[NH+](C)C1(CNC(=O)NC[C@@H]2CCCCS2(=O)=O)CCCCCC1 ZINC000329627330 553978848 /nfs/dbraw/zinc/97/88/48/553978848.db2.gz GXNCXSIBZBQWRF-HNNXBMFYSA-N 1 0 359.536 2.112 20 30 FEEDRO C[C@@H]1C[C@H]1N1C[C@H](NC(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)CC1=O ZINC000329641321 553981434 /nfs/dbraw/zinc/98/14/34/553981434.db2.gz XRHJOLSNXUQSDT-SIZVQLJJSA-N 1 0 370.497 2.020 20 30 FEEDRO Cc1cc(N2CCC(NC(=O)N3CCC[C@H]4C(=O)NC[C@H]43)CC2)nc(C)n1 ZINC000329654422 553982652 /nfs/dbraw/zinc/98/26/52/553982652.db2.gz LVOVABACPOYYOP-HZPDHXFCSA-N 1 0 372.473 2.027 20 30 FEEDRO O=C(NCc1ccnc(N2CCOCC2)c1)NC[C@@H]1CCCCS1 ZINC000329680574 553987107 /nfs/dbraw/zinc/98/71/07/553987107.db2.gz XXEVTIVUKAEYKG-HNNXBMFYSA-N 1 0 350.488 2.208 20 30 FEEDRO CC(C)(C)[C@@H]1CCCN(CC(=O)NC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000329679599 553987319 /nfs/dbraw/zinc/98/73/19/553987319.db2.gz XLMYHKDWPXGANA-ZIAGYGMSSA-N 1 0 373.519 2.192 20 30 FEEDRO Cc1n[nH]c(C)c1[C@@H]1CCCCCN1C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000329716290 553994331 /nfs/dbraw/zinc/99/43/31/553994331.db2.gz WGDOBQWKYUWHSO-SJORKVTESA-N 1 0 362.522 2.103 20 30 FEEDRO Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC000329753924 554000297 /nfs/dbraw/zinc/00/02/97/554000297.db2.gz XBBZDFSKPSUUOX-GOSISDBHSA-N 1 0 366.469 2.896 20 30 FEEDRO Cc1ncc(CNC(=O)N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)s1 ZINC000329769460 554002956 /nfs/dbraw/zinc/00/29/56/554002956.db2.gz FINKCLPKXYVLTE-UHFFFAOYSA-N 1 0 365.547 2.215 20 30 FEEDRO COc1ccc(NC(=O)N2C[C@H]3OCCN(C)[C@H]3C2)c(C(F)(F)F)c1 ZINC000329802609 554008668 /nfs/dbraw/zinc/00/86/68/554008668.db2.gz ZFBBTEXAVTXPMC-UONOGXRCSA-N 1 0 359.348 2.274 20 30 FEEDRO C[C@@H]1C[C@@H](NC(=O)N2CCN(c3ncnc4sccc43)CC2)CC[N@@H+]1C ZINC000329815291 554010899 /nfs/dbraw/zinc/01/08/99/554010899.db2.gz VDNOGGFNSLLOET-KGLIPLIRSA-N 1 0 374.514 2.210 20 30 FEEDRO C[NH+]1CCC([C@@H]2CCN(C(=O)NCCc3cn4c(n3)SCC4)C2)CC1 ZINC000329813476 554011120 /nfs/dbraw/zinc/01/11/20/554011120.db2.gz CTEVIKWBJMKQSB-OAHLLOKOSA-N 1 0 363.531 2.109 20 30 FEEDRO Cn1ccnc(N2CCC[C@H](NC(=O)[C@H]3CCC[N@@H+]3C3CCCC3)C2)c1=O ZINC000329834090 554014814 /nfs/dbraw/zinc/01/48/14/554014814.db2.gz LMYWGOOUKGJUTF-DOTOQJQBSA-N 1 0 373.501 2.113 20 30 FEEDRO Cn1cc([C@H]2OCC[C@@H]2C(=O)NCC2([NH+]3CCCC3)CCOCC2)cn1 ZINC000329893011 554025538 /nfs/dbraw/zinc/02/55/38/554025538.db2.gz JGUFXPCMVYEXGG-DLBZAZTESA-N 1 0 362.474 2.099 20 30 FEEDRO C[C@@H]1CN(C(=O)NCC2([NH+]3CCCC3)CCOCC2)C[C@H](C2CC2)O1 ZINC000329929072 554033464 /nfs/dbraw/zinc/03/34/64/554033464.db2.gz YNHLIANQKGDVES-NVXWUHKLSA-N 1 0 351.491 2.045 20 30 FEEDRO CN1CCO[C@H]2C[N@H+](CCC(=O)Nc3sc4c(c3C#N)CCC4)C[C@@H]21 ZINC000329964489 554040323 /nfs/dbraw/zinc/04/03/23/554040323.db2.gz QOFTVZOAFLBVKJ-GJZGRUSLSA-N 1 0 360.483 2.101 20 30 FEEDRO CC(=O)N1CCC[C@H](CNC(=O)N[C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)C1 ZINC000329977558 554042996 /nfs/dbraw/zinc/04/29/96/554042996.db2.gz ZUFSDSCIQANPGD-YFHUEUNASA-N 1 0 352.523 2.115 20 30 FEEDRO CC1CC[NH+](CC(=O)NC[C@@H]2C[C@H](F)CN2Cc2nccn2C)CC1 ZINC000329982449 554043322 /nfs/dbraw/zinc/04/33/22/554043322.db2.gz OXIYKHWUQRMPII-HOTGVXAUSA-N 1 0 351.470 2.021 20 30 FEEDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@H]1CCN(C(C)=O)C1 ZINC000329994420 554046048 /nfs/dbraw/zinc/04/60/48/554046048.db2.gz ZHFBMOSBHLPKNL-UXHICEINSA-N 1 0 372.513 2.365 20 30 FEEDRO CC(=O)N1CCC[C@@H](CNC(=O)N2CCC([NH+]3CCCCC3)CC2)C1 ZINC000329996330 554046378 /nfs/dbraw/zinc/04/63/78/554046378.db2.gz OQXXTWNLDQWPQW-KRWDZBQOSA-N 1 0 350.507 2.109 20 30 FEEDRO O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)N1CCn2ncnc2C1 ZINC000329994561 554046422 /nfs/dbraw/zinc/04/64/22/554046422.db2.gz ZJGXFXBLJZHQEA-AYHJJNSGSA-N 1 0 366.469 2.203 20 30 FEEDRO Cn1nccc1N1CCC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1=O ZINC000330056735 554056645 /nfs/dbraw/zinc/05/66/45/554056645.db2.gz WIPRTOXFIJHNMZ-HOTGVXAUSA-N 1 0 359.474 2.279 20 30 FEEDRO C[C@@H]1CN(C(=O)C2CCC(NC(=O)C3CC3)CC2)CC[N@@H+]1CC(C)(C)O ZINC000330095637 554063305 /nfs/dbraw/zinc/06/33/05/554063305.db2.gz VVUURDOYEJSNFN-ODIFPOPNSA-N 1 0 365.518 2.215 20 30 FEEDRO C[C@H](NC(=O)C1CCCCC1)C(=O)N1CC[C@H](N(C)Cc2ncccn2)C1 ZINC000330099417 554064652 /nfs/dbraw/zinc/06/46/52/554064652.db2.gz ZTEQALZNJZAWPJ-RDJZCZTQSA-N 1 0 373.501 2.435 20 30 FEEDRO C[C@@H]1CN(C(=O)NC2CCC(C[NH+](C)C)CC2)C[C@]2(CCCOC2)O1 ZINC000330135311 554071169 /nfs/dbraw/zinc/07/11/69/554071169.db2.gz SMJUAEGKSRAZHF-JIZBTBOESA-N 1 0 353.507 2.291 20 30 FEEDRO C[C@H](CNC(=O)N1C[C@H](C)O[C@]2(CCCOC2)C1)[NH+]1CCC(C)CC1 ZINC000330137538 554071759 /nfs/dbraw/zinc/07/17/59/554071759.db2.gz UYMOGVYUJFHRPP-ZIFCJYIRSA-N 1 0 353.507 2.291 20 30 FEEDRO CCn1cc([C@@H]2NC(=O)CC[C@H]2NC(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)cn1 ZINC000330188296 554081207 /nfs/dbraw/zinc/08/12/07/554081207.db2.gz UKTAALNGVUYDCY-DNMXQMFDSA-N 1 0 374.489 2.003 20 30 FEEDRO C[N@@H+]1CC[C@]2(CCN(C(=O)N[C@@H]3CCCN(C4CCCCC4)C3=O)C2)C1 ZINC000330225889 554088663 /nfs/dbraw/zinc/08/86/63/554088663.db2.gz UDPAZSLQDLEMKC-XLIONFOSSA-N 1 0 362.518 2.252 20 30 FEEDRO CC(C)[C@@H]1C[C@@H](NC(=O)N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)CCO1 ZINC000330228383 554089198 /nfs/dbraw/zinc/08/91/98/554089198.db2.gz PQBAPOUSGJWXQS-BQFCYCMXSA-N 1 0 353.507 2.289 20 30 FEEDRO Cn1nc(CCNC(=O)NCC2CC[NH+](C3CC3)CC2)c2ccccc21 ZINC000330242749 554091627 /nfs/dbraw/zinc/09/16/27/554091627.db2.gz JMGMAUFXPFMCSA-UHFFFAOYSA-N 1 0 355.486 2.494 20 30 FEEDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)N[C@@H]2CCOC3(CCOCC3)C2)C1 ZINC000330258665 554094630 /nfs/dbraw/zinc/09/46/30/554094630.db2.gz MRQZBPCDIYITNG-IAGOWNOFSA-N 1 0 353.507 2.196 20 30 FEEDRO Cc1nnsc1CNC(=O)N1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000330272413 554097033 /nfs/dbraw/zinc/09/70/33/554097033.db2.gz XPWOGRZFOIBZBO-STQMWFEESA-N 1 0 367.519 2.082 20 30 FEEDRO C[C@@H]1C[C@H](NC(=O)N2CCC[C@@H](Oc3ncccc3F)C2)CC[N@@H+]1C ZINC000330271083 554097286 /nfs/dbraw/zinc/09/72/86/554097286.db2.gz VJCRFVTWNFXPNT-RBSFLKMASA-N 1 0 350.438 2.461 20 30 FEEDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000330272569 554097290 /nfs/dbraw/zinc/09/72/90/554097290.db2.gz XSLLWWGGBYJVJL-SPUZQDLCSA-N 1 0 351.491 2.043 20 30 FEEDRO O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)N1CCCC2(CCOCC2)C1 ZINC000330273916 554097309 /nfs/dbraw/zinc/09/73/09/554097309.db2.gz ZXQLHQPCRGGCHS-MSOLQXFVSA-N 1 0 365.518 2.171 20 30 FEEDRO Cn1cncc1[C@@H]1C[C@@H](NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CCO1 ZINC000330336059 554107285 /nfs/dbraw/zinc/10/72/85/554107285.db2.gz SBDDHUTXYFFWNC-BBRMVZONSA-N 1 0 363.506 2.453 20 30 FEEDRO CCC[NH+]1CCC(CNC(=O)N2CCN(CC)[C@@H](c3ncc[nH]3)C2)CC1 ZINC000330337158 554107411 /nfs/dbraw/zinc/10/74/11/554107411.db2.gz TUPBZMJZBZEKDR-QGZVFWFLSA-N 1 0 362.522 2.124 20 30 FEEDRO CC[NH+]1CCC(NC(=O)CN2CCOC[C@H]2c2nc(C)cs2)CC1 ZINC000330354485 554110409 /nfs/dbraw/zinc/11/04/09/554110409.db2.gz PPDVFKWZXJXMLJ-HNNXBMFYSA-N 1 0 352.504 2.266 20 30 FEEDRO C[C@H](CNS(=O)(=O)Cc1cc(C#N)ccc1F)[N@@H+]1CCC[C@H](C)C1 ZINC000330486464 554128020 /nfs/dbraw/zinc/12/80/20/554128020.db2.gz CRNOYSXDZMFKNC-UONOGXRCSA-N 1 0 353.463 2.237 20 30 FEEDRO C[C@H](O)C[N@@H+]1CCN(C(=O)Nc2ccc(OC(F)F)c(F)c2)[C@@H](C)C1 ZINC000330541962 554135365 /nfs/dbraw/zinc/13/53/65/554135365.db2.gz WTFKNCWAJQKVNR-QWRGUYRKSA-N 1 0 361.364 2.360 20 30 FEEDRO CC[NH+](CC)CCCNC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000508038974 561749383 /nfs/dbraw/zinc/74/93/83/561749383.db2.gz WPXZHIHIZKUSFL-SFHVURJKSA-N 1 0 371.485 2.085 20 30 FEEDRO C[C@H](NC(=O)N[C@@H]1CC[C@@H]([NH+](C)C)C1)c1ccccc1NS(C)(=O)=O ZINC000330615593 554146358 /nfs/dbraw/zinc/14/63/58/554146358.db2.gz UPTUFXQHYFFYIO-BFHYXJOUSA-N 1 0 368.503 2.105 20 30 FEEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2c(C)nn(CCOC)c2C)C[C@@H]1C ZINC000330641983 554149856 /nfs/dbraw/zinc/14/98/56/554149856.db2.gz DEUFFFIKMKXWSF-BBRMVZONSA-N 1 0 351.495 2.496 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N(C)CC(=O)N(C)[C@H](C)c2ccccc2)CC1 ZINC000508382247 561760588 /nfs/dbraw/zinc/76/05/88/561760588.db2.gz LSGLTXLQHYAPOK-QGZVFWFLSA-N 1 0 372.513 2.498 20 30 FEEDRO CN(C)S(=O)(=O)c1ccsc1C(=O)NCC[N@@H+]1CCCC(C)(C)C1 ZINC000330950908 554192965 /nfs/dbraw/zinc/19/29/65/554192965.db2.gz DLMUDDQDHICKRN-UHFFFAOYSA-N 1 0 373.544 2.425 20 30 FEEDRO CC[C@@H]1CN(C(=O)Nc2ccc(C(N)=O)cc2F)CC[N@@H+]1C[C@@H](C)O ZINC000331192742 554229048 /nfs/dbraw/zinc/22/90/48/554229048.db2.gz MCBDFSFXBCFDEN-DGCLKSJQSA-N 1 0 352.410 2.032 20 30 FEEDRO COC[C@H](NC(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1)c1ccc(F)cc1 ZINC000331238481 554234686 /nfs/dbraw/zinc/23/46/86/554234686.db2.gz VQISBOOKQUPXJH-PBHICJAKSA-N 1 0 367.465 2.204 20 30 FEEDRO C[C@H](CS(C)(=O)=O)N(C)C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000331245716 554235873 /nfs/dbraw/zinc/23/58/73/554235873.db2.gz LYMPFNKQFYMYOA-GDBMZVCRSA-N 1 0 359.536 2.062 20 30 FEEDRO CC(=O)Nc1ccc(F)c(NC(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000331282191 554241121 /nfs/dbraw/zinc/24/11/21/554241121.db2.gz VLEMBEHIVONASO-UHFFFAOYSA-N 1 0 365.453 2.136 20 30 FEEDRO C[C@H]1CCC[N@H+](CCNC(=O)N2CCN(c3ccccc3C#N)CC2)C1 ZINC000331464495 554269225 /nfs/dbraw/zinc/26/92/25/554269225.db2.gz ZPODWZKHHWJYPG-KRWDZBQOSA-N 1 0 355.486 2.122 20 30 FEEDRO C[C@@H](CC#N)N(C)S(=O)(=O)NCC[NH+]1CCC2(CCCCC2)CC1 ZINC000509270926 561793217 /nfs/dbraw/zinc/79/32/17/561793217.db2.gz QSWJLCWXEZWWMX-INIZCTEOSA-N 1 0 356.536 2.101 20 30 FEEDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000509439616 561799891 /nfs/dbraw/zinc/79/98/91/561799891.db2.gz XQEHWOFYQYXJNF-HUUCEWRRSA-N 1 0 367.415 2.198 20 30 FEEDRO CC(C)[C@H](C(=O)N1CCN(c2cc(C#N)ccn2)CC1)[NH+]1CCCCC1 ZINC000332531858 554465132 /nfs/dbraw/zinc/46/51/32/554465132.db2.gz VYQKLGYOEZBGHA-LJQANCHMSA-N 1 0 355.486 2.112 20 30 FEEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NCC[N@@H+]1CCCC(C)(C)C1 ZINC000332583748 554476428 /nfs/dbraw/zinc/47/64/28/554476428.db2.gz ATJVWNQGSUANCA-UHFFFAOYSA-N 1 0 358.486 2.447 20 30 FEEDRO C[NH+](C)C1CCN(C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)CC1 ZINC000332628209 554486918 /nfs/dbraw/zinc/48/69/18/554486918.db2.gz GIERFANDLQGSKQ-UHFFFAOYSA-N 1 0 372.860 2.955 20 30 FEEDRO C[N@H+](CC1CC1)C[C@@H]1CCN([C@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000333044652 554563596 /nfs/dbraw/zinc/56/35/96/554563596.db2.gz PGANEGISNDOYKB-RDJZCZTQSA-N 1 0 358.511 2.389 20 30 FEEDRO C[N@@H+]1CCC[C@H]1CNC(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000333357289 554605745 /nfs/dbraw/zinc/60/57/45/554605745.db2.gz STXDJDUNYDQGSQ-HNNXBMFYSA-N 1 0 361.877 2.137 20 30 FEEDRO N#Cc1ccc(OC2CCC(NC(=O)N3C[C@@H]4CC[C@H]([NH3+])[C@H]4C3)CC2)nc1 ZINC000333856003 554649649 /nfs/dbraw/zinc/64/96/49/554649649.db2.gz YHXRQOLPRQDEMV-FHZKDXSVSA-N 1 0 369.469 2.022 20 30 FEEDRO CN(C(=O)C[N@@H+]1CCC[C@H](N2CCCC2=O)CC1)C1(C#N)CCCCC1 ZINC000334027738 554670265 /nfs/dbraw/zinc/67/02/65/554670265.db2.gz IMVJLVYMTVUOOJ-KRWDZBQOSA-N 1 0 360.502 2.148 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N2CC[C@]3(C2)CC(=O)c2ccccc2O3)CC1 ZINC000334051988 554672879 /nfs/dbraw/zinc/67/28/79/554672879.db2.gz SMBHNFAVBHEYGP-OAQYLSRUSA-N 1 0 369.465 2.456 20 30 FEEDRO C=CCOC[C@H]1NC(=O)N(C2CC[NH+]([C@H](C)c3ccccc3)CC2)C1=O ZINC000348506043 554687569 /nfs/dbraw/zinc/68/75/69/554687569.db2.gz JRTVDCZHMIQHMD-CRAIPNDOSA-N 1 0 357.454 2.335 20 30 FEEDRO C=CCOC[C@@H]1NC(=O)N(CC2CC[NH+](Cc3cccs3)CC2)C1=O ZINC000348505873 554687600 /nfs/dbraw/zinc/68/76/00/554687600.db2.gz JFHHHEBPDOOCRI-INIZCTEOSA-N 1 0 363.483 2.083 20 30 FEEDRO N#Cc1cccc(OCCC[NH+]2CCC(CC(=O)N3CCOCC3)CC2)c1 ZINC000360899848 554894284 /nfs/dbraw/zinc/89/42/84/554894284.db2.gz XYHPNPFHQGHAQQ-UHFFFAOYSA-N 1 0 371.481 2.288 20 30 FEEDRO C[NH+](C)CCOc1ccc(CNC(=O)Cc2c(F)cccc2C#N)cc1 ZINC000511525401 561871740 /nfs/dbraw/zinc/87/17/40/561871740.db2.gz LHHGOZPTSWLALA-UHFFFAOYSA-N 1 0 355.413 2.497 20 30 FEEDRO CC1(C[NH+]2CCOCC2)CCN(C(=O)c2ccccc2OCC#N)CC1 ZINC000362279084 554960176 /nfs/dbraw/zinc/96/01/76/554960176.db2.gz GRFROPGDVKRMES-UHFFFAOYSA-N 1 0 357.454 2.163 20 30 FEEDRO N#C[C@@H]1CN(C(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)CCN1C1CC1 ZINC000362983767 555005098 /nfs/dbraw/zinc/00/50/98/555005098.db2.gz KPENPRPXBDAAGT-WOJBJXKFSA-N 1 0 367.497 2.205 20 30 FEEDRO CS[C@@H]1CN(Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@@H]1[NH+](C)C ZINC000363689819 555164979 /nfs/dbraw/zinc/16/49/79/555164979.db2.gz OQKIQYMRYJDMEP-ZWKOTPCHSA-N 1 0 355.511 2.436 20 30 FEEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@@H]2CCN(C(=O)c3ccncc3)C2)cc1 ZINC000363854974 555200095 /nfs/dbraw/zinc/20/00/95/555200095.db2.gz HTJIBGVLANMFHN-CRAIPNDOSA-N 1 0 350.422 2.377 20 30 FEEDRO N#CCCn1ccc(=NC(=O)NC2CC[NH+](Cc3ccsc3)CC2)[nH]1 ZINC000364276629 555283254 /nfs/dbraw/zinc/28/32/54/555283254.db2.gz BXWRKUYKWUPZHH-UHFFFAOYSA-N 1 0 358.471 2.644 20 30 FEEDRO C=CCN(C(=O)Nc1nccn(C)c1=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000364288296 555285518 /nfs/dbraw/zinc/28/55/18/555285518.db2.gz GSLLVJZDEHEQDF-KRWDZBQOSA-N 1 0 367.453 2.075 20 30 FEEDRO CN(C)CC[NH+]1CCC(CNC(=O)C2(c3cc(F)cc(C#N)c3)CC2)CC1 ZINC000512334155 561900860 /nfs/dbraw/zinc/90/08/60/561900860.db2.gz MPKFFBTTXPVYDV-UHFFFAOYSA-N 1 0 372.488 2.119 20 30 FEEDRO Cc1cc(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)nn1-c1cccc(C#N)c1 ZINC000364511187 555327146 /nfs/dbraw/zinc/32/71/46/555327146.db2.gz UOJKVJONLPZXBN-AEFFLSMTSA-N 1 0 364.453 2.753 20 30 FEEDRO C=CCOc1cccc(NC(=O)C(=O)N2CCCC23CC[NH+](C)CC3)c1 ZINC000364777393 555399959 /nfs/dbraw/zinc/39/99/59/555399959.db2.gz JRMGZWVHUGCNRH-UHFFFAOYSA-N 1 0 357.454 2.277 20 30 FEEDRO C[NH+](C)C1(CNC(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)CCCC1 ZINC000512677133 561912209 /nfs/dbraw/zinc/91/22/09/561912209.db2.gz IAKROKVLXSNSTI-IBGZPJMESA-N 1 0 369.513 2.280 20 30 FEEDRO N#Cc1cc(F)cc(C2(C(=O)N3CC[NH+](CC4CCOCC4)CC3)CC2)c1 ZINC000512746787 561914041 /nfs/dbraw/zinc/91/40/41/561914041.db2.gz AJWHBXGYDJQUKE-UHFFFAOYSA-N 1 0 371.456 2.300 20 30 FEEDRO CC[C@@H](C)[N@H+](C)CCNC(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 ZINC000512573321 561909497 /nfs/dbraw/zinc/90/94/97/561909497.db2.gz QSAYAEPOOKPHNT-IEBWSBKVSA-N 1 0 357.502 2.136 20 30 FEEDRO C[C@H]([NH2+]C[C@@H](O)CN1CCOCC1)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000364931156 555441515 /nfs/dbraw/zinc/44/15/15/555441515.db2.gz BFWCLRYEVBJZAL-WMLDXEAASA-N 1 0 372.494 2.025 20 30 FEEDRO C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000365041224 555471348 /nfs/dbraw/zinc/47/13/48/555471348.db2.gz WRCMUGHXIJIZOL-HOTGVXAUSA-N 1 0 370.453 2.003 20 30 FEEDRO C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000365041220 555471499 /nfs/dbraw/zinc/47/14/99/555471499.db2.gz WRCMUGHXIJIZOL-CVEARBPZSA-N 1 0 370.453 2.003 20 30 FEEDRO Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N[C@@H]3C[N@H+](C4CC4)C[C@@H]3C)C2)n1 ZINC000366039774 555734053 /nfs/dbraw/zinc/73/40/53/555734053.db2.gz HIXBCTRIBOWFIS-UCLAIMLFSA-N 1 0 367.497 2.077 20 30 FEEDRO CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)Nc3ccc(F)c(C#N)c3)C2)CC1 ZINC000366090828 555748569 /nfs/dbraw/zinc/74/85/69/555748569.db2.gz ABOPFPOCQXFGKU-QGZVFWFLSA-N 1 0 359.449 2.330 20 30 FEEDRO CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000366148597 555765022 /nfs/dbraw/zinc/76/50/22/555765022.db2.gz ZMHDACKQWORXQR-OAHLLOKOSA-N 1 0 371.485 2.186 20 30 FEEDRO CCCC[NH+]1CCC(NC(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)CC1 ZINC000366187283 555775573 /nfs/dbraw/zinc/77/55/73/555775573.db2.gz RAIWOXDQJLRQRP-GOSISDBHSA-N 1 0 371.485 2.380 20 30 FEEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1CN(C2CC2)CCO1 ZINC000366526304 555867666 /nfs/dbraw/zinc/86/76/66/555867666.db2.gz NQWOHMAEDCDUGB-IBGZPJMESA-N 1 0 356.470 2.343 20 30 FEEDRO C=CCS(=O)(=O)CC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1C ZINC000367071420 556000906 /nfs/dbraw/zinc/00/09/06/556000906.db2.gz BKGXBMVTPADACI-CABCVRRESA-N 1 0 360.520 2.212 20 30 FEEDRO N#CC1(CCC[N@H+]2CCC[C@@H]2C(=O)NCC2CCOCC2)CCOCC1 ZINC000367085626 556001019 /nfs/dbraw/zinc/00/10/19/556001019.db2.gz QUJUCJWEIQHXLX-GOSISDBHSA-N 1 0 363.502 2.094 20 30 FEEDRO C[C@H](CC#N)N(C)S(=O)(=O)N(C)C1CC[NH+](C2CCC(C)CC2)CC1 ZINC000367172887 556003026 /nfs/dbraw/zinc/00/30/26/556003026.db2.gz OEUWJVMVNVRQFG-UPTPFMHGSA-N 1 0 370.563 2.440 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)Nc1cccc2c1CC[N@@H+](CC)C2 ZINC000367194499 556003577 /nfs/dbraw/zinc/00/35/77/556003577.db2.gz JRMRKUQQPUDVPQ-KXBFYZLASA-N 1 0 371.481 2.101 20 30 FEEDRO C=CCN(C(=O)c1nc(C)c(C)[nH]c1=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000367199126 556003602 /nfs/dbraw/zinc/00/36/02/556003602.db2.gz AZADMSWONBZXED-GOSISDBHSA-N 1 0 366.465 2.289 20 30 FEEDRO C[C@@H]1CN(C(=O)/C=C/c2cccc(C#N)c2)CCN1C1CC[NH+](C)CC1 ZINC000367454274 556054199 /nfs/dbraw/zinc/05/41/99/556054199.db2.gz NZGHKQOCLPSXLN-DKRLNXSXSA-N 1 0 352.482 2.198 20 30 FEEDRO N#Cc1ccc(CN2CCC([NH2+]C[C@H](CO)c3cccnc3)CC2)cc1 ZINC000367560800 556083171 /nfs/dbraw/zinc/08/31/71/556083171.db2.gz AYSIPIRABNAOCH-HXUWFJFHSA-N 1 0 350.466 2.283 20 30 FEEDRO CCC[NH+]1CCN(C2CCN(C(=O)c3ccc(F)c(C#N)c3)CC2)CC1 ZINC000367598748 556093920 /nfs/dbraw/zinc/09/39/20/556093920.db2.gz GGPAKFWBCXEJHN-UHFFFAOYSA-N 1 0 358.461 2.330 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N2CCC[C@](CO)(Cc3ccccc3)C2)CC1 ZINC000367746689 556129080 /nfs/dbraw/zinc/12/90/80/556129080.db2.gz OQCMYWDHZXDVPA-QFIPXVFZSA-N 1 0 354.494 2.175 20 30 FEEDRO N#Cc1ccc(OC2CC[NH+](CCCNC(=O)C(F)(F)F)CC2)cc1 ZINC000367762397 556132859 /nfs/dbraw/zinc/13/28/59/556132859.db2.gz BMOUTUYSQMQDRO-UHFFFAOYSA-N 1 0 355.360 2.470 20 30 FEEDRO N#Cc1ccc(-n2ccc(NC(=O)N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)n2)c(F)c1 ZINC000367804529 556143338 /nfs/dbraw/zinc/14/33/38/556143338.db2.gz UTRYOCPZXWVSRE-HUUCEWRRSA-N 1 0 368.416 2.631 20 30 FEEDRO C#CCN(Cc1ccccc1)C(=O)NC[C@@H]1CCC[C@H]1[NH+]1CCOCC1 ZINC000367884040 556164278 /nfs/dbraw/zinc/16/42/78/556164278.db2.gz FZEJBKNTLRCXNX-VQTJNVASSA-N 1 0 355.482 2.332 20 30 FEEDRO C[NH+](C)Cc1ccccc1C(=O)N1CCC(Nc2ccc(C#N)cn2)CC1 ZINC000368154178 556231546 /nfs/dbraw/zinc/23/15/46/556231546.db2.gz LZHDFZJQQBBDIX-UHFFFAOYSA-N 1 0 363.465 2.732 20 30 FEEDRO C[C@H](C(=O)NC[C@@H]1COc2ccccc2O1)[NH+]1CCC(CCC#N)CC1 ZINC000515379559 562008019 /nfs/dbraw/zinc/00/80/19/562008019.db2.gz GHBHIOZRMWBOSC-NVXWUHKLSA-N 1 0 357.454 2.347 20 30 FEEDRO C[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C1CC1)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000368495805 556326251 /nfs/dbraw/zinc/32/62/51/556326251.db2.gz KTYANWYOUJDBDZ-IRWQIABSSA-N 1 0 372.444 2.108 20 30 FEEDRO C[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C1CC1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000368497436 556326748 /nfs/dbraw/zinc/32/67/48/556326748.db2.gz YPTBHHXTHZUSBZ-FGDXXIHYSA-N 1 0 360.845 2.185 20 30 FEEDRO C[C@H]([NH2+][C@H]1CCC(=O)N[C@H]1C1CC1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000368497438 556327037 /nfs/dbraw/zinc/32/70/37/556327037.db2.gz YPTBHHXTHZUSBZ-QXKQMHMISA-N 1 0 360.845 2.185 20 30 FEEDRO CC(C)CN1CCO[C@H](C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C1 ZINC000368606742 556360120 /nfs/dbraw/zinc/36/01/20/556360120.db2.gz FKSAQPGCUPAPNW-OAQYLSRUSA-N 1 0 356.514 2.473 20 30 FEEDRO C=C(C)CN(CC)C(=O)C(=O)NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000515473100 562011898 /nfs/dbraw/zinc/01/18/98/562011898.db2.gz VDDBETKVAQUAPC-LJQANCHMSA-N 1 0 357.498 2.438 20 30 FEEDRO C#CCNC(=O)C1CC[NH+]([C@@H](C)C(=O)N2CCC[C@H]2c2cccs2)CC1 ZINC000368822374 556422553 /nfs/dbraw/zinc/42/25/53/556422553.db2.gz GSQAEOOTIVAGKG-RDJZCZTQSA-N 1 0 373.522 2.262 20 30 FEEDRO N#Cc1ccccc1NC(=O)CC[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000368999729 556472497 /nfs/dbraw/zinc/47/24/97/556472497.db2.gz GEXIKKJXYQIWGX-HNNXBMFYSA-N 1 0 368.397 2.329 20 30 FEEDRO C[C@H]1CCC[C@](CNC(=O)N2CCC(n3cnc(C#N)n3)CC2)([NH+](C)C)C1 ZINC000369093233 556503337 /nfs/dbraw/zinc/50/33/37/556503337.db2.gz UIZOLKMFEWBQRY-KXBFYZLASA-N 1 0 373.505 2.007 20 30 FEEDRO CC[NH+](CC)Cc1cccc(CNC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c1 ZINC000369230141 556542406 /nfs/dbraw/zinc/54/24/06/556542406.db2.gz HJZPKGHNUJCMTK-FQEVSTJZSA-N 1 0 369.513 2.410 20 30 FEEDRO Cc1nn(C)c(C)c1C[C@@H](C)[NH2+]C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000516050145 562028848 /nfs/dbraw/zinc/02/88/48/562028848.db2.gz OHPSLHIORUXMMN-RDTXWAMCSA-N 1 0 356.470 2.064 20 30 FEEDRO Cc1nn(C)c(C)c1C[C@H](C)[NH2+]C[C@H](O)COc1ccc(CC#N)cc1 ZINC000516050144 562028875 /nfs/dbraw/zinc/02/88/75/562028875.db2.gz OHPSLHIORUXMMN-KSSFIOAISA-N 1 0 356.470 2.064 20 30 FEEDRO Cn1cc([C@@H]2[C@H](CNC(=O)Nc3ccc(C#N)cc3)CCC[N@@H+]2C)cn1 ZINC000369421571 556596754 /nfs/dbraw/zinc/59/67/54/556596754.db2.gz ORHJPKDQRDXZDC-YJBOKZPZSA-N 1 0 352.442 2.496 20 30 FEEDRO C=C(C)[C@H]1OCCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC000369662216 556662835 /nfs/dbraw/zinc/66/28/35/556662835.db2.gz GOHBKXWOESVTOZ-NXWXRZEISA-N 1 0 360.502 2.291 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)[C@H]2CC(=O)N(C3CCC(C)CC3)C2)CC1 ZINC000369688843 556669229 /nfs/dbraw/zinc/66/92/29/556669229.db2.gz FBEUSGWWAJWBNN-HFCFLWKCSA-N 1 0 359.514 2.018 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)[C@@H]2CCCCN2C(=O)c2ccccc2)CC1 ZINC000370026287 556761311 /nfs/dbraw/zinc/76/13/11/556761311.db2.gz MCUMQPIPDJRAOQ-FQEVSTJZSA-N 1 0 367.493 2.285 20 30 FEEDRO CN(C)C(=O)c1ccc(C[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3F)C2)[nH]1 ZINC000370256293 556822562 /nfs/dbraw/zinc/82/25/62/556822562.db2.gz MGWPIIRKEPYBPJ-MRXNPFEDSA-N 1 0 369.444 2.486 20 30 FEEDRO N#Cc1ccc(Cl)c(S(=O)(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)c1 ZINC000370440285 556873980 /nfs/dbraw/zinc/87/39/80/556873980.db2.gz WVDVRRNAKLHDSX-LZWOXQAQSA-N 1 0 365.886 2.316 20 30 FEEDRO C=C(C)[C@H]1OCC[C@H]1CNC(=O)NC1CC[NH+](CCc2ccncc2)CC1 ZINC000370462844 556879581 /nfs/dbraw/zinc/87/95/81/556879581.db2.gz RKCFFQCAVVVYTJ-AZUAARDMSA-N 1 0 372.513 2.369 20 30 FEEDRO C[C@H](NS(=O)(=O)c1ccc(C#N)o1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000370668173 556935618 /nfs/dbraw/zinc/93/56/18/556935618.db2.gz UAVYQKYSVKFQPV-HOCLYGCPSA-N 1 0 359.451 2.340 20 30 FEEDRO C=CCN(CC=C)C(=O)[C@@H](C)[NH2+][C@@H]1CCCN(Cc2noc(C3CC3)n2)C1 ZINC000370884792 557002246 /nfs/dbraw/zinc/00/22/46/557002246.db2.gz CQRROQOZFNEEKF-NVXWUHKLSA-N 1 0 373.501 2.090 20 30 FEEDRO Cc1ncc(C[N@@H+]2CC[C@H](NC(=O)c3ccc(C#N)nc3)[C@@H](C)C2)s1 ZINC000370962500 557028463 /nfs/dbraw/zinc/02/84/63/557028463.db2.gz OOJYOIPZWKLUOC-SJCJKPOMSA-N 1 0 355.467 2.359 20 30 FEEDRO CN(CCC#N)C[C@H](O)C[NH2+]Cc1cc(F)c(C(F)(F)F)cc1F ZINC000517129656 562076647 /nfs/dbraw/zinc/07/66/47/562076647.db2.gz HZSPPXWUCBYGFA-LLVKDONJSA-N 1 0 351.319 2.280 20 30 FEEDRO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC[C@H]1C[C@H](O)c1cnn(C)c1 ZINC000371334060 557149904 /nfs/dbraw/zinc/14/99/04/557149904.db2.gz DDTKYPIETUWGSD-NJAFHUGGSA-N 1 0 373.501 2.039 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@H]1CCO[C@@]2(CCOC2)C1)C(C)C ZINC000371431141 557185158 /nfs/dbraw/zinc/18/51/58/557185158.db2.gz MWDPYIHEMPPIGH-NSHGMRRFSA-N 1 0 365.518 2.322 20 30 FEEDRO N#C[C@H]1CN(Cc2c[nH]nc2-c2cccnc2)C[C@]12C(=O)Nc1ccccc12 ZINC000371465929 557189932 /nfs/dbraw/zinc/18/99/32/557189932.db2.gz JNEQBGFMGHDCTG-KKSFZXQISA-N 1 0 370.416 2.317 20 30 FEEDRO C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CCC(C)(C[NH+]2CCOCC2)CC1 ZINC000371553201 557220486 /nfs/dbraw/zinc/22/04/86/557220486.db2.gz LAIZHCTYSIGYIT-QGZVFWFLSA-N 1 0 371.481 2.286 20 30 FEEDRO N#CCCSc1ccccc1NC(=O)C(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000371571997 557226217 /nfs/dbraw/zinc/22/62/17/557226217.db2.gz VTFRYIWLSPQDQR-HNNXBMFYSA-N 1 0 372.494 2.328 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1ccc(-n2nnnc2C)cc1)C(C)C ZINC000518197282 562106196 /nfs/dbraw/zinc/10/61/96/562106196.db2.gz IJQLEDNVBUGGLU-IBGZPJMESA-N 1 0 368.485 2.399 20 30 FEEDRO CC[C@H](C)[N@H+](C)CCNC(=O)[C@@H]1CCCN(c2nc(C)ccc2C#N)C1 ZINC000371843062 557309644 /nfs/dbraw/zinc/30/96/44/557309644.db2.gz QEAJOLMTPRYMFF-FUHWJXTLSA-N 1 0 357.502 2.325 20 30 FEEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cnc2n1CCCC2 ZINC000372150634 557393524 /nfs/dbraw/zinc/39/35/24/557393524.db2.gz WAEQUJPQDASHBJ-UHFFFAOYSA-N 1 0 351.454 2.295 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CCCc2cn[nH]c21 ZINC000372215689 557411515 /nfs/dbraw/zinc/41/15/15/557411515.db2.gz HYBAIOIZWDUNOW-SFHVURJKSA-N 1 0 351.454 2.292 20 30 FEEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+]C[C@@H](CO)C2CCCCC2)c1 ZINC000518980010 562122397 /nfs/dbraw/zinc/12/23/97/562122397.db2.gz ZIBDUTXWEWGACA-KRWDZBQOSA-N 1 0 350.484 2.110 20 30 FEEDRO CCC[N@@H+]1CC[C@@H](CNC(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)C1 ZINC000372341373 557444775 /nfs/dbraw/zinc/44/47/75/557444775.db2.gz BITKPIWRBIMZTF-PKOBYXMFSA-N 1 0 356.470 2.373 20 30 FEEDRO CO/N=C/c1ccc(C(=O)N2CCC(N3CC[NH+](C(C)C)CC3)CC2)cc1 ZINC000372367765 557452385 /nfs/dbraw/zinc/45/23/85/557452385.db2.gz RMGWNONUQCYLES-CJLVFECKSA-N 1 0 372.513 2.298 20 30 FEEDRO C[N@@H+]1CC[C@@H](CNC(=O)c2ccccc2OCC#N)[C@@H]1c1cccnc1 ZINC000372387411 557457014 /nfs/dbraw/zinc/45/70/14/557457014.db2.gz PVCUSDXKTWQZOO-LPHOPBHVSA-N 1 0 350.422 2.407 20 30 FEEDRO C#CCNC(=O)[C@H](C)[NH+]1CCC([C@H]2CCCCCN2C(=O)C2CC2)CC1 ZINC000372586759 557513276 /nfs/dbraw/zinc/51/32/76/557513276.db2.gz UGYGWJVSWKEHCS-QFBILLFUSA-N 1 0 359.514 2.018 20 30 FEEDRO C=CCN(C(=O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000372598011 557516548 /nfs/dbraw/zinc/51/65/48/557516548.db2.gz COLIAGQKCCMPGF-QGZVFWFLSA-N 1 0 369.425 2.080 20 30 FEEDRO COc1ccc(C(=O)NCC[NH2+][C@@H]2CCC[C@@H]3O[C@H](CC#N)C[C@@H]32)cc1 ZINC000373193056 557647243 /nfs/dbraw/zinc/64/72/43/557647243.db2.gz XAJPSAJYDUEEKX-MKXGPGLRSA-N 1 0 357.454 2.254 20 30 FEEDRO C[C@@H]1CN(C(=O)c2ccc(C3(C#N)CC3)cc2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000373198147 557648114 /nfs/dbraw/zinc/64/81/14/557648114.db2.gz NHMDQDSZAYKNEM-XLIONFOSSA-N 1 0 366.509 2.340 20 30 FEEDRO N#Cc1ncn(C2CC[NH+](CCCc3nc(-c4ccccc4)no3)CC2)n1 ZINC000373398094 557686908 /nfs/dbraw/zinc/68/69/08/557686908.db2.gz DSBWGKYCZRTFGD-UHFFFAOYSA-N 1 0 363.425 2.469 20 30 FEEDRO C[C@@H](CNC(=O)[C@@H](C)[NH+]1CCC(n2cnc(C#N)n2)CC1)c1ccccc1 ZINC000373400995 557687236 /nfs/dbraw/zinc/68/72/36/557687236.db2.gz UGYKIIDCRGERIX-JKSUJKDBSA-N 1 0 366.469 2.095 20 30 FEEDRO CC(C)CNC(=O)c1cccc(C[NH+]2CCC(n3cnc(C#N)n3)CC2)c1 ZINC000373413688 557689066 /nfs/dbraw/zinc/68/90/66/557689066.db2.gz SBMPUTAEHQOFQS-UHFFFAOYSA-N 1 0 366.469 2.373 20 30 FEEDRO N#Cc1cnccc1N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000373449063 557696252 /nfs/dbraw/zinc/69/62/52/557696252.db2.gz SNNRDLKYFVZBEY-SFHVURJKSA-N 1 0 362.481 2.387 20 30 FEEDRO CC(C)[NH+]1CCC(NC(=O)[C@H]2CCC(=O)N2Cc2cccc(C#N)c2)CC1 ZINC000373758727 557753344 /nfs/dbraw/zinc/75/33/44/557753344.db2.gz RQCSMCFBXWSKTD-LJQANCHMSA-N 1 0 368.481 2.038 20 30 FEEDRO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1 ZINC000373805260 557762903 /nfs/dbraw/zinc/76/29/03/557762903.db2.gz BZXYHVLUAMSCEP-AKCHCHLHSA-N 1 0 371.485 2.136 20 30 FEEDRO C=CCN1CC[C@@H](N(C)Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1=O ZINC000374185531 557839828 /nfs/dbraw/zinc/83/98/28/557839828.db2.gz DIQSFFXODIFLGI-OAQYLSRUSA-N 1 0 370.541 2.436 20 30 FEEDRO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@@H]1C[C@@H](O)c1cnn(C)c1 ZINC000374306501 557862557 /nfs/dbraw/zinc/86/25/57/557862557.db2.gz DWPVLIFMQUKDKD-NIKGAXFTSA-N 1 0 367.453 2.207 20 30 FEEDRO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000374333344 557867222 /nfs/dbraw/zinc/86/72/22/557867222.db2.gz UOUFMUSSMUUXPQ-FPDPHYFHSA-N 1 0 366.465 2.121 20 30 FEEDRO CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCC(C[NH+]2CCC(C)CC2)CC1 ZINC000374447084 557885224 /nfs/dbraw/zinc/88/52/24/557885224.db2.gz PUWITADKMHRFSG-KRWDZBQOSA-N 1 0 370.563 2.157 20 30 FEEDRO COc1cc(C#N)ccc1OCC[N@@H+]1CCC[C@@H](c2nc(N(C)C)no2)C1 ZINC000374623462 557908407 /nfs/dbraw/zinc/90/84/07/557908407.db2.gz WBSMQAOXYANSOD-OAHLLOKOSA-N 1 0 371.441 2.274 20 30 FEEDRO Cc1ncccc1O[C@@H]1CC[N@H+](C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000375457482 558030668 /nfs/dbraw/zinc/03/06/68/558030668.db2.gz JZJYHYUUPQCYNB-IEBWSBKVSA-N 1 0 353.422 2.155 20 30 FEEDRO C=CCN(C(=O)c1ccoc1CC(N)=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000375640008 558061033 /nfs/dbraw/zinc/06/10/33/558061033.db2.gz FDNMZKNAJBPUIM-QGZVFWFLSA-N 1 0 367.449 2.210 20 30 FEEDRO Cn1cc(C[C@@H]2CC[N@@H+]([C@H]3CCCN(c4ccc(C#N)cc4)C3=O)C2)cn1 ZINC000375819675 558084730 /nfs/dbraw/zinc/08/47/30/558084730.db2.gz ZLKNMGDKUUKHOX-PXNSSMCTSA-N 1 0 363.465 2.352 20 30 FEEDRO Cn1cc(C[C@H]2CC[N@@H+]([C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)C2)cn1 ZINC000375819677 558084823 /nfs/dbraw/zinc/08/48/23/558084823.db2.gz ZLKNMGDKUUKHOX-YLJYHZDGSA-N 1 0 363.465 2.352 20 30 FEEDRO N#C[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCN(S(=O)(=O)c3cccs3)C2)C1 ZINC000375836950 558087394 /nfs/dbraw/zinc/08/73/94/558087394.db2.gz FCWIOFWETDWJKB-RBSFLKMASA-N 1 0 353.513 2.431 20 30 FEEDRO C#CC[C@H](Cc1ccccc1)NC(=O)NC[C@@H]1CCC[C@H]1[NH+]1CCOCC1 ZINC000376328653 558158743 /nfs/dbraw/zinc/15/87/43/558158743.db2.gz UPBRRHJJHKGGRZ-PWRODBHTSA-N 1 0 369.509 2.421 20 30 FEEDRO COc1cc(C[NH2+]C[C@@H]2C[C@H](O)CN2Cc2ccccc2)ccc1C#N ZINC000376609329 558197188 /nfs/dbraw/zinc/19/71/88/558197188.db2.gz IVHVGBLGHGYQJY-PMACEKPBSA-N 1 0 351.450 2.292 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N2C[C@H](CC)O[C@]3(CCOC3)C2)CC1 ZINC000377075205 558260616 /nfs/dbraw/zinc/26/06/16/558260616.db2.gz XRONSJPFMRRLDU-PKOBYXMFSA-N 1 0 351.491 2.006 20 30 FEEDRO C#CCCS(=O)(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1ccc(OC)cc1 ZINC000377310601 558312147 /nfs/dbraw/zinc/31/21/47/558312147.db2.gz LFYDFQAYJPILIK-SJLPKXTDSA-N 1 0 350.484 2.021 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@H]1CCC(=O)N[C@H]1C1CC1 ZINC000377404158 558334424 /nfs/dbraw/zinc/33/44/24/558334424.db2.gz XPBLWOMUCLHAOU-OWQGQXMQSA-N 1 0 361.511 2.298 20 30 FEEDRO CN1CC[C@H]([NH2+]CC(=O)N[C@](C)(C#N)C2CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000377650369 558386904 /nfs/dbraw/zinc/38/69/04/558386904.db2.gz MDQJIXYGGOSHMX-YTQUADARSA-N 1 0 360.889 2.483 20 30 FEEDRO N#Cc1cccnc1N1CCCN(Cc2ncc(C3OCCO3)s2)CC1 ZINC000377704457 558401178 /nfs/dbraw/zinc/40/11/78/558401178.db2.gz SAKCPNXCSSLATF-UHFFFAOYSA-N 1 0 371.466 2.167 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)NCC2CCN(c3ccccc3C#N)CC2)CC1 ZINC000377907218 558445895 /nfs/dbraw/zinc/44/58/95/558445895.db2.gz SXNGUXNXHNPNLI-UHFFFAOYSA-N 1 0 364.493 2.236 20 30 FEEDRO N#Cc1ccc(N2CCC[C@@H](NC(=O)C34CCC[NH+]3CCC4)C2)c(F)c1 ZINC000377966605 558453924 /nfs/dbraw/zinc/45/39/24/558453924.db2.gz VEJQJFUWICKHOW-MRXNPFEDSA-N 1 0 356.445 2.411 20 30 FEEDRO CC(C)[NH+]1CCN([C@H]2CCN(C(=O)CCc3ccc(C#N)cc3)C2)CC1 ZINC000378118214 558485157 /nfs/dbraw/zinc/48/51/57/558485157.db2.gz ZEQWCEAXSJNWHV-FQEVSTJZSA-N 1 0 354.498 2.118 20 30 FEEDRO C#Cc1cccc(NC(=O)C(=O)N2CCC3(C[C@H]3C[N@@H+](C)C3CC3)CC2)c1 ZINC000378339221 558533383 /nfs/dbraw/zinc/53/33/83/558533383.db2.gz VWTMXFFHZYGOAS-KRWDZBQOSA-N 1 0 365.477 2.329 20 30 FEEDRO C#CCOc1ccc(C[NH+]2CCC(NC(=O)c3cccn3C)CC2)cc1 ZINC000378349436 558535777 /nfs/dbraw/zinc/53/57/77/558535777.db2.gz OOHBHPKDEMONNX-UHFFFAOYSA-N 1 0 351.450 2.432 20 30 FEEDRO C[N@H+](C[C@@H]1CC12CCN(C(=O)C#Cc1ccc3c(c1)OCO3)CC2)C1CC1 ZINC000378352304 558536720 /nfs/dbraw/zinc/53/67/20/558536720.db2.gz CUFUWDMFYWDNJS-KRWDZBQOSA-N 1 0 366.461 2.490 20 30 FEEDRO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000408135712 558650440 /nfs/dbraw/zinc/65/04/40/558650440.db2.gz ZIMADOALLVCEAH-IRXDYDNUSA-N 1 0 360.502 2.052 20 30 FEEDRO C[N@@H+]1CCO[C@H]2CN(c3c(C#N)cnc4c(Br)cccc43)C[C@H]21 ZINC000408424787 558675914 /nfs/dbraw/zinc/67/59/14/558675914.db2.gz XRBIELYITRWIKT-CABCVRRESA-N 1 0 373.254 2.388 20 30 FEEDRO CCN(C[C@H](C)C#N)S(=O)(=O)NCc1ccccc1C[NH+](CC)CC ZINC000409531931 558700847 /nfs/dbraw/zinc/70/08/47/558700847.db2.gz CZQPXIFSKWUNIU-MRXNPFEDSA-N 1 0 366.531 2.344 20 30 FEEDRO CCN(CCC#N)S(=O)(=O)NC[C@@H](Cc1ccccc1)[NH+](CC)CC ZINC000409562255 558703189 /nfs/dbraw/zinc/70/31/89/558703189.db2.gz PKOUXEZEZWXVQC-GOSISDBHSA-N 1 0 366.531 2.009 20 30 FEEDRO C[C@@H]([NH2+]C1(CNC(=O)[C@@H](C)n2cnc(C#N)n2)CCCC1)c1ccccc1 ZINC000409680294 558712632 /nfs/dbraw/zinc/71/26/32/558712632.db2.gz LXAGJCDLRCOCKG-HZPDHXFCSA-N 1 0 366.469 2.491 20 30 FEEDRO Cc1cc(NC(=O)[C@H](C)n2cnc(C#N)n2)ccc1OCC[NH+]1CCCC1 ZINC000409715318 558715909 /nfs/dbraw/zinc/71/59/09/558715909.db2.gz GPXINVKBSBOVPK-HNNXBMFYSA-N 1 0 368.441 2.133 20 30 FEEDRO CC(C)C1CCC([NH+]2CCN(C(=O)[C@H](C)n3cnc(C#N)n3)CC2)CC1 ZINC000409794191 558720726 /nfs/dbraw/zinc/72/07/26/558720726.db2.gz GAWRIZUASPJFQH-GTPINHCMSA-N 1 0 358.490 2.070 20 30 FEEDRO CCN(C[C@@H](C)C#N)S(=O)(=O)N(CC[NH+](C)C)Cc1cccc(C)c1 ZINC000410151230 558742103 /nfs/dbraw/zinc/74/21/03/558742103.db2.gz PLJADMQSLSWDGO-KRWDZBQOSA-N 1 0 366.531 2.085 20 30 FEEDRO CCN(CCC#N)S(=O)(=O)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000410162684 558743363 /nfs/dbraw/zinc/74/33/63/558743363.db2.gz UFJCDNGJEIBILS-KRWDZBQOSA-N 1 0 364.515 2.063 20 30 FEEDRO C=CCN1CC[C@@H]([N@H+](C)C[C@H](O)COc2ccc(C(F)(F)F)cc2)C1=O ZINC000410394522 558755113 /nfs/dbraw/zinc/75/51/13/558755113.db2.gz YZJQMGBRSQWZRL-GOEBONIOSA-N 1 0 372.387 2.164 20 30 FEEDRO C=CCCN(C)C(=O)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000410838625 558815506 /nfs/dbraw/zinc/81/55/06/558815506.db2.gz BKSJIXYSVINIHZ-MOPGFXCFSA-N 1 0 355.482 2.001 20 30 FEEDRO C[NH+]1CCC(C#N)(NC(=O)c2ccc(OCc3ccccn3)cc2)CC1 ZINC000525680521 562251842 /nfs/dbraw/zinc/25/18/42/562251842.db2.gz DOBGAVJJIXSXRG-UHFFFAOYSA-N 1 0 350.422 2.378 20 30 FEEDRO C=CC[N@@H+](C)CCN(CC)[C@@H]1CCN(c2cc(OC)cc(OC)c2)C1=O ZINC000411646890 558935367 /nfs/dbraw/zinc/93/53/67/558935367.db2.gz WOOOYNPDGGYZNQ-LJQANCHMSA-N 1 0 361.486 2.249 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]CCC(=O)Nc1cc(OC)c(OC)c(OC)c1 ZINC000411786288 558963207 /nfs/dbraw/zinc/96/32/07/558963207.db2.gz JSFORZGZMGUNTL-CABCVRRESA-N 1 0 364.442 2.364 20 30 FEEDRO Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CCCCC(C)(C)C3)CC2)o1 ZINC000525838578 562256836 /nfs/dbraw/zinc/25/68/36/562256836.db2.gz KLXLUFGXEBFCFD-UHFFFAOYSA-N 1 0 359.474 2.015 20 30 FEEDRO N#Cc1ccc(NC(=O)CC[N@H+]2CC[C@](C(N)=O)(c3ccccc3)C2)cc1 ZINC000411966538 558996581 /nfs/dbraw/zinc/99/65/81/558996581.db2.gz LUQDMDVNIJIYNY-OAQYLSRUSA-N 1 0 362.433 2.016 20 30 FEEDRO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1cc(C#N)cn1C ZINC000412675619 559050076 /nfs/dbraw/zinc/05/00/76/559050076.db2.gz QLWOKOHTUDZZAV-UYAOXDASSA-N 1 0 366.465 2.164 20 30 FEEDRO Cc1cc(N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)c(C#N)cc1[N+](=O)[O-] ZINC000413127150 559080812 /nfs/dbraw/zinc/08/08/12/559080812.db2.gz AOYCQOXIDDRHDN-QGZVFWFLSA-N 1 0 357.458 2.381 20 30 FEEDRO C[C@H](C(=O)OC(C)(C)C)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000413177221 559085683 /nfs/dbraw/zinc/08/56/83/559085683.db2.gz LPBWOCQXDTXMIO-HNNXBMFYSA-N 1 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ZINC000414566217 559172283 /nfs/dbraw/zinc/17/22/83/559172283.db2.gz HZFOGOACXRKUSZ-HNNXBMFYSA-N 1 0 351.468 2.467 20 30 FEEDRO CCN(CCC[NH+](C)C)C(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 ZINC000527058595 562275097 /nfs/dbraw/zinc/27/50/97/562275097.db2.gz GYJMMJQESDCSAL-UHFFFAOYSA-N 1 0 365.499 2.178 20 30 FEEDRO N#CCCN(CC1CC1)C(=O)C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000415123756 559206567 /nfs/dbraw/zinc/20/65/67/559206567.db2.gz BCNHUGOMUOSUPU-UHFFFAOYSA-N 1 0 368.359 2.255 20 30 FEEDRO N#Cc1ccc(CN(C(=O)C(=O)Nc2ccc3c(c2)C[NH2+]C3)C2CC2)cc1 ZINC000415190508 559213615 /nfs/dbraw/zinc/21/36/15/559213615.db2.gz XSNDQBSNGLLZMZ-UHFFFAOYSA-N 1 0 360.417 2.291 20 30 FEEDRO CC(C)(CC#N)CNC(=O)C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000415262491 559219510 /nfs/dbraw/zinc/21/95/10/559219510.db2.gz BKKLDFRNMYDAFH-UHFFFAOYSA-N 1 0 356.348 2.159 20 30 FEEDRO C[C@@H](NC(=O)C(=O)Nc1scc(C(C)(C)C)c1C#N)[C@H]1CCC[NH2+]C1 ZINC000415353980 559226770 /nfs/dbraw/zinc/22/67/70/559226770.db2.gz RPFRKPSGJKRNHK-NEPJUHHUSA-N 1 0 362.499 2.360 20 30 FEEDRO C[C@H]([NH3+])C1CCN(C(=O)C(=O)Nc2sc(C(C)(C)C)cc2C#N)CC1 ZINC000415389405 559230207 /nfs/dbraw/zinc/23/02/07/559230207.db2.gz SURWTRAQHNNLRK-NSHDSACASA-N 1 0 362.499 2.442 20 30 FEEDRO CCCN(C(=O)C(=O)Nc1ccccc1SC[C@H](C)C#N)[C@H]1CC[NH2+]C1 ZINC000415402476 559231827 /nfs/dbraw/zinc/23/18/27/559231827.db2.gz KACHLCKVSBOIDM-CABCVRRESA-N 1 0 374.510 2.477 20 30 FEEDRO CC(C)(C)c1cc(C#N)c(NC(=O)C(=O)NCC[C@@H]2CCC[NH2+]C2)s1 ZINC000415404681 559231947 /nfs/dbraw/zinc/23/19/47/559231947.db2.gz BHPZMVGVLYVOCO-LBPRGKRZSA-N 1 0 362.499 2.362 20 30 FEEDRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)Nc2scc(C(C)(C)C)c2C#N)C1 ZINC000415427808 559235502 /nfs/dbraw/zinc/23/55/02/559235502.db2.gz CCTYGHHJYCTFKR-NEPJUHHUSA-N 1 0 362.499 2.442 20 30 FEEDRO N#Cc1ccc(-n2ccc(NC(=O)N[C@@H](C[NH3+])C3CCCCC3)n2)c(F)c1 ZINC000415444914 559237809 /nfs/dbraw/zinc/23/78/09/559237809.db2.gz RVOQZWIBQZEEAT-INIZCTEOSA-N 1 0 370.432 2.912 20 30 FEEDRO C=CCOc1cccc(NC(=O)C(=O)N2CCC([NH2+]CC3CC3)CC2)c1 ZINC000415455424 559239026 /nfs/dbraw/zinc/23/90/26/559239026.db2.gz UCEGMLWNJKREAG-UHFFFAOYSA-N 1 0 357.454 2.181 20 30 FEEDRO CN(C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1)[C@H](C[NH3+])C1CC1 ZINC000415457456 559239197 /nfs/dbraw/zinc/23/91/97/559239197.db2.gz LCUMQEUMYIUHPT-OAHLLOKOSA-N 1 0 358.833 2.598 20 30 FEEDRO N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)N2CCCC[C@@H]2C[NH3+])n1 ZINC000415464273 559240084 /nfs/dbraw/zinc/24/00/84/559240084.db2.gz RKIWNYNWUNXAKB-CQSZACIVSA-N 1 0 358.833 2.742 20 30 FEEDRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000415492913 559243039 /nfs/dbraw/zinc/24/30/39/559243039.db2.gz LRNAECZLXFMZPF-KGLIPLIRSA-N 1 0 360.483 2.087 20 30 FEEDRO CCCC[C@H](C[NH3+])NC(=O)C(=O)Nc1scc(C(C)(C)C)c1C#N ZINC000415502563 559244203 /nfs/dbraw/zinc/24/42/03/559244203.db2.gz TYAYTUBVKSZRMU-LLVKDONJSA-N 1 0 350.488 2.489 20 30 FEEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000415515170 559245517 /nfs/dbraw/zinc/24/55/17/559245517.db2.gz DAZHJZKCUHQXPO-MGPQQGTHSA-N 1 0 360.483 2.215 20 30 FEEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000415532751 559247143 /nfs/dbraw/zinc/24/71/43/559247143.db2.gz AEIVQFRIZKLNSV-XYPWUTKMSA-N 1 0 370.453 2.025 20 30 FEEDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)c1cnn(C)c1C#N ZINC000527251303 562282412 /nfs/dbraw/zinc/28/24/12/562282412.db2.gz BUIGKOGWNVXGSX-INIZCTEOSA-N 1 0 367.453 2.124 20 30 FEEDRO N#Cc1ccc(NC(=O)C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)cc1Cl ZINC000415544113 559248143 /nfs/dbraw/zinc/24/81/43/559248143.db2.gz SUOXSVWDWPYBJK-MRXNPFEDSA-N 1 0 360.845 2.141 20 30 FEEDRO N#CCCSc1ccccc1NC(=O)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000415563835 559250119 /nfs/dbraw/zinc/25/01/19/559250119.db2.gz YPDHIOFAXDEOFM-UHFFFAOYSA-N 1 0 372.494 2.233 20 30 FEEDRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)Nc2ccccc2S[C@H](C)CC#N)C1 ZINC000415566743 559250469 /nfs/dbraw/zinc/25/04/69/559250469.db2.gz JKGCUWWTPKORBA-MGPQQGTHSA-N 1 0 360.483 2.215 20 30 FEEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000415566745 559250580 /nfs/dbraw/zinc/25/05/80/559250580.db2.gz JKGCUWWTPKORBA-RDBSUJKOSA-N 1 0 360.483 2.215 20 30 FEEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000415591177 559253337 /nfs/dbraw/zinc/25/33/37/559253337.db2.gz HRLSLBPRPMTQNH-AUUYWEPGSA-N 1 0 372.494 2.089 20 30 FEEDRO CC(C)C[C@@](C)(C[NH3+])NC(=O)Nc1ccc(S(=O)(=O)[C@H](C)C#N)cc1 ZINC000415600782 559254193 /nfs/dbraw/zinc/25/41/93/559254193.db2.gz OTVNIAMNVOWPKE-DYVFJYSZSA-N 1 0 366.487 2.257 20 30 FEEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000415624070 559255983 /nfs/dbraw/zinc/25/59/83/559255983.db2.gz JGQGUBHJTYJZBZ-ZIAGYGMSSA-N 1 0 360.483 2.135 20 30 FEEDRO C=CCOc1cccc(NC(=O)C(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000415764545 559269038 /nfs/dbraw/zinc/26/90/38/559269038.db2.gz PVJRDCUCWMQPCT-MRXNPFEDSA-N 1 0 357.454 2.038 20 30 FEEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000415856078 559278927 /nfs/dbraw/zinc/27/89/27/559278927.db2.gz ZHWGJELUMXEUCO-KFWWJZLASA-N 1 0 374.510 2.463 20 30 FEEDRO C[C@@H](C#N)CN(C(=O)Nc1ccccc1OCCN1CC[NH2+]CC1)C1CC1 ZINC000416032247 559290173 /nfs/dbraw/zinc/29/01/73/559290173.db2.gz VEFXUAUNWIRNIA-INIZCTEOSA-N 1 0 371.485 2.127 20 30 FEEDRO C[C@@H](C#N)S(=O)(=O)N(CC[NH+](C)C)Cc1cccc(C(F)(F)F)c1 ZINC000416394049 559309869 /nfs/dbraw/zinc/30/98/69/559309869.db2.gz UCYYWQJBZKVUBX-LBPRGKRZSA-N 1 0 363.405 2.311 20 30 FEEDRO CCN(CCC[NH+](C)C)S(=O)(=O)c1cc(Br)ccc1C#N ZINC000416467171 559315253 /nfs/dbraw/zinc/31/52/53/559315253.db2.gz ATUAGKDUVHDTCE-UHFFFAOYSA-N 1 0 374.304 2.283 20 30 FEEDRO CC[NH+](CC)[C@H](C)CNS(=O)(=O)c1cc(Br)ccc1C#N ZINC000416477492 559316181 /nfs/dbraw/zinc/31/61/81/559316181.db2.gz UCIPGJDGTGORLR-LLVKDONJSA-N 1 0 374.304 2.329 20 30 FEEDRO CC(C)[N@H+](C)C[C@@H](C)NS(=O)(=O)c1cc(Br)ccc1C#N ZINC000416481156 559316292 /nfs/dbraw/zinc/31/62/92/559316292.db2.gz BGDOPPDATHXHKW-LLVKDONJSA-N 1 0 374.304 2.328 20 30 FEEDRO C=C(C)Cn1c(-c2ncccn2)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC000417498706 559364663 /nfs/dbraw/zinc/36/46/63/559364663.db2.gz GHPBAAJLBVNSGJ-INIZCTEOSA-N 1 0 355.490 2.479 20 30 FEEDRO C[C@@H]1CCN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)C[C@@H]1C[NH3+] ZINC000417573284 559367305 /nfs/dbraw/zinc/36/73/05/559367305.db2.gz HDLQRBWXXOSYFM-PVAVHDDUSA-N 1 0 373.476 2.292 20 30 FEEDRO CC(C)C[C@H](C[NH3+])NC(=O)NC1CCC(Oc2ncccc2C#N)CC1 ZINC000418050831 559388130 /nfs/dbraw/zinc/38/81/30/559388130.db2.gz PXZXWMGBVYJTEA-AQFXKWCLSA-N 1 0 359.474 2.316 20 30 FEEDRO N#Cc1ccc(N2CCN(C(=O)NCCC[NH2+]C3CC3)CC2)c(Cl)c1 ZINC000418294823 559396670 /nfs/dbraw/zinc/39/66/70/559396670.db2.gz DDBKROBPLWBLSI-UHFFFAOYSA-N 1 0 361.877 2.185 20 30 FEEDRO CC(C)C[C@@H](C[NH3+])NC(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000418435352 559401494 /nfs/dbraw/zinc/40/14/94/559401494.db2.gz GDQXKGKEURMBNV-HNNXBMFYSA-N 1 0 363.893 2.417 20 30 FEEDRO CN(CCOCc1ccc(C#N)cc1)C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000418456867 559402344 /nfs/dbraw/zinc/40/23/44/559402344.db2.gz UOCOHJLMHGMMAY-IBGZPJMESA-N 1 0 352.438 2.416 20 30 FEEDRO N#C[C@H]1CN(C(=O)NC[C@H]([NH3+])c2ccccc2)CCN1Cc1ccccc1 ZINC000418456542 559402437 /nfs/dbraw/zinc/40/24/37/559402437.db2.gz TVKXRVFIWRKAJC-PMACEKPBSA-N 1 0 363.465 2.106 20 30 FEEDRO C=CCC1(NC(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)CCCCC1 ZINC000418674126 559410885 /nfs/dbraw/zinc/41/08/85/559410885.db2.gz WKEMVFYSFKPKPG-AEFFLSMTSA-N 1 0 362.518 2.211 20 30 FEEDRO N#Cc1ccc(N2CCN(C(=O)N[C@@H]3CC[C@H](C[NH3+])C3)CC2)c(Cl)c1 ZINC000418794317 559416462 /nfs/dbraw/zinc/41/64/62/559416462.db2.gz RGVYHZZTQMUNIF-DZGCQCFKSA-N 1 0 361.877 2.171 20 30 FEEDRO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1Cc1ccc(Br)cc1C#N ZINC000419347707 559438859 /nfs/dbraw/zinc/43/88/59/559438859.db2.gz XGSJUWFTDKKELB-QWHCGFSZSA-N 1 0 352.276 2.208 20 30 FEEDRO C=CCC[C@@H](NC(=O)C(=O)NCC[NH2+]C)c1ccc(C(F)(F)F)cc1 ZINC000419468514 559444080 /nfs/dbraw/zinc/44/40/80/559444080.db2.gz BCYHDQANRWAMQG-CQSZACIVSA-N 1 0 357.376 2.165 20 30 FEEDRO C[C@@H]1CN(C(=O)N[C@H]2CCCc3cc(C#N)ccc32)C[C@H](C)[N@H+]1CCO ZINC000419621563 559450154 /nfs/dbraw/zinc/45/01/54/559450154.db2.gz RVTFLABXZGYKGX-KHYOSLBOSA-N 1 0 356.470 2.032 20 30 FEEDRO C[C@@H]1CN(C(=O)N[C@@H]2CCCc3cc(C#N)ccc32)C[C@H](C)[N@H+]1CCO ZINC000419621566 559450200 /nfs/dbraw/zinc/45/02/00/559450200.db2.gz RVTFLABXZGYKGX-ZRGWGRIASA-N 1 0 356.470 2.032 20 30 FEEDRO C=C(C)[C@H](NC(=O)C(=O)N1CCCC[C@H]1[C@H](C)[NH3+])c1ccc(F)c(F)c1 ZINC000419679960 559453703 /nfs/dbraw/zinc/45/37/03/559453703.db2.gz QIVSUEMHACQIML-ZLIFDBKOSA-N 1 0 365.424 2.427 20 30 FEEDRO C=C(C)[C@H](NC(=O)C(=O)NCCC1=CC[NH2+]CC1)c1ccc(F)c(F)c1 ZINC000419685767 559454014 /nfs/dbraw/zinc/45/40/14/559454014.db2.gz YBLGJNAHBZPLMF-KRWDZBQOSA-N 1 0 363.408 2.124 20 30 FEEDRO C=CCC[C@H]1NC(=O)N(Cc2ccccc2CN2CC[NH+](CC)CC2)C1=O ZINC000419921762 559464629 /nfs/dbraw/zinc/46/46/29/559464629.db2.gz IPSKAFCNJMHTCD-LJQANCHMSA-N 1 0 370.497 2.211 20 30 FEEDRO C[NH+](C)CC[C@@](C)(O)CNC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000420011286 559468758 /nfs/dbraw/zinc/46/87/58/559468758.db2.gz HUFUPHCLCVIGRN-HXUWFJFHSA-N 1 0 368.437 2.178 20 30 FEEDRO C=CCC[C@@H]1NC(=O)N(C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2OCC)C1=O ZINC000420078805 559471484 /nfs/dbraw/zinc/47/14/84/559471484.db2.gz DFOKASMRNRDKBW-GBESFXJTSA-N 1 0 371.481 2.410 20 30 FEEDRO C=CCN(CCc1ccco1)C(=O)C(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000420121544 559473850 /nfs/dbraw/zinc/47/38/50/559473850.db2.gz KMUJPKRAXYSCTK-HNNXBMFYSA-N 1 0 355.438 2.173 20 30 FEEDRO CCCC[C@@H](C[NH3+])NS(=O)(=O)c1cccc(Br)c1C#N ZINC000420447283 559487767 /nfs/dbraw/zinc/48/77/67/559487767.db2.gz IMLFTYXYEDYLQZ-JTQLQIEISA-N 1 0 360.277 2.117 20 30 FEEDRO N#Cc1cc(S(=O)(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)ccc1Cl ZINC000420465290 559488865 /nfs/dbraw/zinc/48/88/65/559488865.db2.gz YMYDSBZOACSTMG-QWHCGFSZSA-N 1 0 353.875 2.222 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)cc1C(F)(F)F ZINC000420476818 559489650 /nfs/dbraw/zinc/48/96/50/559489650.db2.gz YYCRZVHYVANLQT-CMPLNLGQSA-N 1 0 361.389 2.373 20 30 FEEDRO CNC(=O)[C@H]1CC[N@@H+]([C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000420969900 559515604 /nfs/dbraw/zinc/51/56/04/559515604.db2.gz FOVVBGBLWDEMRP-SJORKVTESA-N 1 0 356.470 2.007 20 30 FEEDRO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N(C)C[C@H]1CCC[N@@H+]1C ZINC000420993747 559518231 /nfs/dbraw/zinc/51/82/31/559518231.db2.gz BAJGJCJKGLHVDT-IAGOWNOFSA-N 1 0 358.486 2.356 20 30 FEEDRO C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000422352209 559580716 /nfs/dbraw/zinc/58/07/16/559580716.db2.gz MMWMSTKMCVVDGM-UMQXSMKFSA-N 1 0 369.509 2.422 20 30 FEEDRO CC1CC[NH+](C[C@H]2CCCN(C(=O)C(=O)NCC(C)(C)CC#N)C2)CC1 ZINC000422483512 559591138 /nfs/dbraw/zinc/59/11/38/559591138.db2.gz XKZDVHZOABDYRO-QGZVFWFLSA-N 1 0 362.518 2.013 20 30 FEEDRO C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC000422533837 559593394 /nfs/dbraw/zinc/59/33/94/559593394.db2.gz YDICEMPNFIGICM-FXAWDEMLSA-N 1 0 371.525 2.479 20 30 FEEDRO C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000422533404 559593445 /nfs/dbraw/zinc/59/34/45/559593445.db2.gz XCIKRXXOLZZZRS-RTBURBONSA-N 1 0 357.498 2.090 20 30 FEEDRO C=CCN(Cc1ccccc1)C(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000423120171 559620042 /nfs/dbraw/zinc/62/00/42/559620042.db2.gz FUHMMMRSZLCOLR-IBGZPJMESA-N 1 0 355.482 2.192 20 30 FEEDRO C=CCCCCCN(C)C(=O)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000423346453 559626127 /nfs/dbraw/zinc/62/61/27/559626127.db2.gz PHKNZHCKXMDQCF-ZWKOTPCHSA-N 1 0 361.461 2.284 20 30 FEEDRO C=CCOc1cc(OC)ccc1C(=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000423728079 559637235 /nfs/dbraw/zinc/63/72/35/559637235.db2.gz VSKYFLHAPLJJDI-OAHLLOKOSA-N 1 0 360.454 2.088 20 30 FEEDRO C=CCn1c(-c2cccn2C)nnc1N1CC[NH+](C(C)(C)COC)CC1 ZINC000424115362 559655362 /nfs/dbraw/zinc/65/53/62/559655362.db2.gz UWQZGUFWOPKSIS-UHFFFAOYSA-N 1 0 358.490 2.017 20 30 FEEDRO C[C@H](CNC(=O)[C@@H]([NH3+])CCCC#N)Oc1cccc(Br)c1 ZINC000424124619 559655497 /nfs/dbraw/zinc/65/54/97/559655497.db2.gz MMWIENWHXCGVLG-RISCZKNCSA-N 1 0 354.248 2.354 20 30 FEEDRO N#CCCC[C@H]([NH3+])C(=O)N[C@@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000424139829 559655990 /nfs/dbraw/zinc/65/59/90/559655990.db2.gz FNVDNYFRZSLODN-DYVFJYSZSA-N 1 0 350.413 2.067 20 30 FEEDRO N#CCCC[C@@H]([NH3+])C(=O)N[C@@H](c1nc[nH]n1)c1cccc(C(F)(F)F)c1 ZINC000424192377 559657273 /nfs/dbraw/zinc/65/72/73/559657273.db2.gz SCTWTEZVRWUQRX-CHWSQXEVSA-N 1 0 366.347 2.050 20 30 FEEDRO C=CCCn1cc(C(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)cn2)nn1 ZINC000424726816 559674887 /nfs/dbraw/zinc/67/48/87/559674887.db2.gz AEWXYORVNGDNOO-UHFFFAOYSA-N 1 0 369.473 2.032 20 30 FEEDRO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000425378864 559698785 /nfs/dbraw/zinc/69/87/85/559698785.db2.gz BYYNFWNHYRZXTM-INIZCTEOSA-N 1 0 368.481 2.164 20 30 FEEDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N(C)[C@H](C)c2cccc(C#N)c2)C1 ZINC000425386693 559699387 /nfs/dbraw/zinc/69/93/87/559699387.db2.gz POYVCMCKIOUUPY-SJLPKXTDSA-N 1 0 370.497 2.268 20 30 FEEDRO C=CCn1cc(CNC(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)nn1 ZINC000425395643 559700050 /nfs/dbraw/zinc/70/00/50/559700050.db2.gz NTZYCRAEVHAUDI-SFHVURJKSA-N 1 0 354.458 2.100 20 30 FEEDRO N#Cc1ccc(NC(=O)C[NH2+][C@H](C2CCOCC2)C2(CO)CCC2)cc1 ZINC000425545939 559709020 /nfs/dbraw/zinc/70/90/20/559709020.db2.gz RLACAFPCUWQXTR-LJQANCHMSA-N 1 0 357.454 2.044 20 30 FEEDRO CC(C)[NH+](CCNC(=O)C(=O)N(C)[C@H](C)c1cccc(C#N)c1)C(C)C ZINC000425862176 559723247 /nfs/dbraw/zinc/72/32/47/559723247.db2.gz JQKARTUUKGIPOW-MRXNPFEDSA-N 1 0 358.486 2.313 20 30 FEEDRO CC(C)C[NH+]1CCC(NC(=O)C(=O)N(C)[C@@H](C)c2cccc(C#N)c2)CC1 ZINC000425869054 559723467 /nfs/dbraw/zinc/72/34/67/559723467.db2.gz UOGLHVFFAVTWCI-INIZCTEOSA-N 1 0 370.497 2.314 20 30 FEEDRO C[C@@H](CCNC(=O)C(=O)N(C)[C@@H](C)c1cccc(C#N)c1)[NH+]1CCCCC1 ZINC000425884141 559724014 /nfs/dbraw/zinc/72/40/14/559724014.db2.gz GFRVFUJOIWSAHW-IRXDYDNUSA-N 1 0 370.497 2.458 20 30 FEEDRO C[C@H]([NH2+]C(C)(C)CNS(=O)(=O)c1cccnc1C#N)c1ccccc1 ZINC000428246127 559772173 /nfs/dbraw/zinc/77/21/73/559772173.db2.gz NLDPCBZXFLXDRL-AWEZNQCLSA-N 1 0 358.467 2.361 20 30 FEEDRO C[C@@H]([NH2+][C@@H](CO)c1ccc(Br)cc1)C(=O)NC1(C#N)CCC1 ZINC000428774422 559782848 /nfs/dbraw/zinc/78/28/48/559782848.db2.gz WAZZBGSYQGWNKL-RISCZKNCSA-N 1 0 366.259 2.023 20 30 FEEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+](C)C(C)(C)COC ZINC000429244094 559793732 /nfs/dbraw/zinc/79/37/32/559793732.db2.gz IYIKZSWOWAHYFC-UHFFFAOYSA-N 1 0 364.490 2.308 20 30 FEEDRO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](C(=O)N(C)c2ccccc2)C1 ZINC000430310090 559817530 /nfs/dbraw/zinc/81/75/30/559817530.db2.gz YHFQVRPBBJHKCX-LZJOCLMNSA-N 1 0 370.497 2.414 20 30 FEEDRO N#CCC1(CNC(=O)C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)CC1 ZINC000430346524 559818237 /nfs/dbraw/zinc/81/82/37/559818237.db2.gz WYZBIKJFOXODOE-UHFFFAOYSA-N 1 0 354.454 2.073 20 30 FEEDRO C[C@@H]([NH2+]CC1(CC#N)CC1)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000430742547 559827548 /nfs/dbraw/zinc/82/75/48/559827548.db2.gz PCZCPJIZYWFHDK-OAHLLOKOSA-N 1 0 363.483 2.052 20 30 FEEDRO Cc1c(C#N)cccc1NC(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000431862415 559847499 /nfs/dbraw/zinc/84/74/99/559847499.db2.gz AHYANXHGFKMTNW-SFHVURJKSA-N 1 0 362.433 2.196 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)Cc1ccc(Br)cc1O ZINC000432778142 559864441 /nfs/dbraw/zinc/86/44/41/559864441.db2.gz GIUBDZIGRWWMOA-UHFFFAOYSA-N 1 0 368.275 2.391 20 30 FEEDRO N#CCCC[C@H]([NH2+]CC(=O)NC(=O)NCC(F)(F)F)c1ccccc1 ZINC000433018521 559870003 /nfs/dbraw/zinc/87/00/03/559870003.db2.gz DTYPQOIJUUBILE-ZDUSSCGKSA-N 1 0 356.348 2.399 20 30 FEEDRO CC[C@H]1CN(CC[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)CCO1 ZINC000433342099 559877578 /nfs/dbraw/zinc/87/75/78/559877578.db2.gz VACRWUHUDRWJQZ-IBGZPJMESA-N 1 0 368.485 2.059 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)CC1 ZINC000433606007 559884874 /nfs/dbraw/zinc/88/48/74/559884874.db2.gz FHEWKXKHSWMRRB-UKRRQHHQSA-N 1 0 363.424 2.372 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccc(C(N)=O)c(OC(C)C)c2)CC1 ZINC000433691228 559886307 /nfs/dbraw/zinc/88/63/07/559886307.db2.gz YLTZDDMUPFTVQD-UHFFFAOYSA-N 1 0 360.458 2.345 20 30 FEEDRO COC[C@H]([NH2+][C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2)[C@@H]1CCCO1 ZINC000434784808 559909353 /nfs/dbraw/zinc/90/93/53/559909353.db2.gz MTHKZDRITUNOJM-CQDKDKBSSA-N 1 0 363.483 2.219 20 30 FEEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)C[C@@H]1C ZINC000434807342 559909884 /nfs/dbraw/zinc/90/98/84/559909884.db2.gz DZIFKJAUADNXRI-HOCLYGCPSA-N 1 0 373.501 2.384 20 30 FEEDRO C=CCN1C(=O)c2ccc(C(=O)N(C)CC3([NH+](C)C)CCC3)cc2C1=O ZINC000438591017 559980991 /nfs/dbraw/zinc/98/09/91/559980991.db2.gz KSYVAXUEBIZCCA-UHFFFAOYSA-N 1 0 355.438 2.025 20 30 FEEDRO C=CCN(C(=O)N[C@H](C)CC[NH+](C)C)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000440991577 560021195 /nfs/dbraw/zinc/02/11/95/560021195.db2.gz YQJXKTNEWLCDNA-CVEARBPZSA-N 1 0 371.489 2.261 20 30 FEEDRO N#Cc1cccc(-c2nnc(CN3CCC[C@H]3[C@@H](O)C(F)(F)F)o2)c1 ZINC000441316731 560028528 /nfs/dbraw/zinc/02/85/28/560028528.db2.gz UTYFXVCZGITRCL-GXTWGEPZSA-N 1 0 352.316 2.496 20 30 FEEDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)c1ccc(F)cc1C#N ZINC000443357940 560081800 /nfs/dbraw/zinc/08/18/00/560081800.db2.gz FOBMNRIMZAKIFE-MJBXVCDLSA-N 1 0 353.463 2.342 20 30 FEEDRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1 ZINC000448321749 560184155 /nfs/dbraw/zinc/18/41/55/560184155.db2.gz NPRAMKLOMLNOCF-HNNXBMFYSA-N 1 0 362.861 2.387 20 30 FEEDRO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)c2ccc(C#N)n2C)cc1 ZINC000448561264 560190166 /nfs/dbraw/zinc/19/01/66/560190166.db2.gz MNIOKCONURACCJ-UHFFFAOYSA-N 1 0 367.453 2.221 20 30 FEEDRO Cn1c(C#N)ccc1C(=O)NCCC[N@@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000448677213 560193647 /nfs/dbraw/zinc/19/36/47/560193647.db2.gz LJHNWVKOMHKDEI-FQEVSTJZSA-N 1 0 365.481 2.005 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)NC[C@@H]2CCN2Cc2ccc(OC)cc2)CC1 ZINC000527768550 562303210 /nfs/dbraw/zinc/30/32/10/562303210.db2.gz PBJLWPOZHUCDIO-IBGZPJMESA-N 1 0 372.513 2.219 20 30 FEEDRO C[NH+](C)[C@H](CNC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)C1CC1 ZINC000448751078 560197915 /nfs/dbraw/zinc/19/79/15/560197915.db2.gz RNKBEHJTNWWFKG-WMLDXEAASA-N 1 0 374.872 2.021 20 30 FEEDRO C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C1 ZINC000448883344 560204716 /nfs/dbraw/zinc/20/47/16/560204716.db2.gz QPQUJDGVJQFUKI-GDBMZVCRSA-N 1 0 374.872 2.117 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)c2cc(F)c(N3CCOCC3)c(F)c2)CC1 ZINC000448921836 560206876 /nfs/dbraw/zinc/20/68/76/560206876.db2.gz OUNYBAXRSQITOU-UHFFFAOYSA-N 1 0 365.424 2.182 20 30 FEEDRO N#CCCn1cc(C[NH2+]C[C@@H]2CCCCN2CCO)c(-c2ccccc2)n1 ZINC000449395695 560228701 /nfs/dbraw/zinc/22/87/01/560228701.db2.gz QGRVZNYZAGAYFP-FQEVSTJZSA-N 1 0 367.497 2.400 20 30 FEEDRO CC[N@H+](CCNC(=O)COc1cccc(Br)c1C#N)C1CC1 ZINC000449838849 560241951 /nfs/dbraw/zinc/24/19/51/560241951.db2.gz JDUPRBXODPEHEG-UHFFFAOYSA-N 1 0 366.259 2.300 20 30 FEEDRO Cc1c(C#N)c(N2CCC(O)(C[NH+]3CCOCC3)CC2)nc2ccccc12 ZINC000450430172 560262046 /nfs/dbraw/zinc/26/20/46/560262046.db2.gz POSCNCPEXFXNOA-UHFFFAOYSA-N 1 0 366.465 2.078 20 30 FEEDRO N#Cc1cnc(N2CCC(CCC[NH+]3CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC000450433082 560262106 /nfs/dbraw/zinc/26/21/06/560262106.db2.gz JAWFNVOVBWETMX-UHFFFAOYSA-N 1 0 359.430 2.190 20 30 FEEDRO CO[C@@H]1COCC[C@H]1CC(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000450673848 560269777 /nfs/dbraw/zinc/26/97/77/560269777.db2.gz QWIKFZMZYDSCIU-RBUKOAKNSA-N 1 0 371.481 2.103 20 30 FEEDRO CCCCO[C@H]1C[C@H]([NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)C1(C)C ZINC000450964094 560280202 /nfs/dbraw/zinc/28/02/02/560280202.db2.gz CSTHIIKRYGAEMA-HOTGVXAUSA-N 1 0 365.499 2.300 20 30 FEEDRO N#CCc1ccc(S(=O)(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)c(Cl)c1 ZINC000451052897 560284761 /nfs/dbraw/zinc/28/47/61/560284761.db2.gz FZOWOMWWGPSLBJ-GJZGRUSLSA-N 1 0 353.875 2.311 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]CC(=O)N1N=C(c2ccco2)C[C@@H]1c1ccco1 ZINC000451602648 560316813 /nfs/dbraw/zinc/31/68/13/560316813.db2.gz XLSYCIMKDWOEMK-BMFZPTHFSA-N 1 0 355.394 2.483 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]CC(=O)Nc1ccc(I)cc1 ZINC000451609335 560317321 /nfs/dbraw/zinc/31/73/21/560317321.db2.gz VUIIWVSINWORTK-OLZOCXBDSA-N 1 0 372.206 2.163 20 30 FEEDRO CC[N@@H+]1CCN(C(=O)COc2cccc(Br)c2C#N)[C@@H](C)C1 ZINC000451675420 560321340 /nfs/dbraw/zinc/32/13/40/560321340.db2.gz AAYWEMJBFCUNLR-LBPRGKRZSA-N 1 0 366.259 2.252 20 30 FEEDRO C[C@@H]1CN(CC(F)(F)F)CC[N@H+](C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000451880588 560333931 /nfs/dbraw/zinc/33/39/31/560333931.db2.gz WZPXEQDVXIVICT-GOEBONIOSA-N 1 0 371.403 2.114 20 30 FEEDRO C[N@H+](CCCNC(=O)C(=O)Nc1cccc(CC#N)c1)Cc1ccccc1 ZINC000453585635 560389882 /nfs/dbraw/zinc/38/98/82/560389882.db2.gz QGRGLCFVMZJHEI-UHFFFAOYSA-N 1 0 364.449 2.329 20 30 FEEDRO N#CCc1ccc(NC(=O)C(=O)N2CCC([NH+]3CCCC3)CC2)c(Cl)c1 ZINC000453595077 560390324 /nfs/dbraw/zinc/39/03/24/560390324.db2.gz CWGGHPZYJZNJME-UHFFFAOYSA-N 1 0 374.872 2.431 20 30 FEEDRO Cc1cc(C#N)cc(NC(=O)C(=O)N[C@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC000453614893 560391399 /nfs/dbraw/zinc/39/13/99/560391399.db2.gz PVGSLFRYDCGJCG-HRCADAONSA-N 1 0 356.470 2.288 20 30 FEEDRO C[C@@H](CNC(=O)C(=O)Nc1cccc(CC#N)c1)[N@H+](C)Cc1ccccc1 ZINC000453672239 560395500 /nfs/dbraw/zinc/39/55/00/560395500.db2.gz LKOKGCJELHEKQG-INIZCTEOSA-N 1 0 364.449 2.328 20 30 FEEDRO Cc1cc(C#N)cc(NC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000453674459 560395714 /nfs/dbraw/zinc/39/57/14/560395714.db2.gz RGLQQGWICVTMLM-QFBILLFUSA-N 1 0 366.465 2.281 20 30 FEEDRO C[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2cccc(CC#N)c2)[C@H]1c1ccccc1 ZINC000453686230 560396608 /nfs/dbraw/zinc/39/66/08/560396608.db2.gz DNEKUUKQKZYBLM-RBUKOAKNSA-N 1 0 362.433 2.253 20 30 FEEDRO C[C@H]1[C@H](NC(=O)C(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)CCC[N@@H+]1C ZINC000453698904 560397656 /nfs/dbraw/zinc/39/76/56/560397656.db2.gz JRKUPMYIXWUQHO-XJKSGUPXSA-N 1 0 372.469 2.273 20 30 FEEDRO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccc(CC#N)cc1Cl ZINC000453706835 560398376 /nfs/dbraw/zinc/39/83/76/560398376.db2.gz GHSHYDGFBHGVAX-TZMCWYRMSA-N 1 0 360.845 2.040 20 30 FEEDRO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)Nc1cccc(CC#N)c1 ZINC000453805069 560405158 /nfs/dbraw/zinc/40/51/58/560405158.db2.gz JONRQVNZXWQTCK-SFHVURJKSA-N 1 0 356.470 2.318 20 30 FEEDRO C=CCC[C@H](CO)NC(=O)C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000454054043 560425402 /nfs/dbraw/zinc/42/54/02/560425402.db2.gz IZXGSOJGLDCTGN-LJQANCHMSA-N 1 0 373.497 2.300 20 30 FEEDRO C=CCC1(CNC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CCCC1 ZINC000454439373 560444546 /nfs/dbraw/zinc/44/45/46/560444546.db2.gz OYXOISDYXLFOEM-MRXNPFEDSA-N 1 0 350.507 2.010 20 30 FEEDRO N#Cc1ccc(OC(F)F)c(NC(=O)NC[C@H]2CCC[N@H+]2CCCO)c1 ZINC000454711104 560455233 /nfs/dbraw/zinc/45/52/33/560455233.db2.gz JBRGFXCWWXTJLW-CYBMUJFWSA-N 1 0 368.384 2.128 20 30 FEEDRO C[NH+](C)CCOc1cc(CNC(=O)NCc2ccc(C#N)c(F)c2)ccn1 ZINC000454721583 560455593 /nfs/dbraw/zinc/45/55/93/560455593.db2.gz ALTKVWVINPIHRP-UHFFFAOYSA-N 1 0 371.416 2.032 20 30 FEEDRO Cc1cc(C#N)cc(NC(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c1 ZINC000455949286 560501621 /nfs/dbraw/zinc/50/16/21/560501621.db2.gz CSOZTDJXVLFCOF-LPHOPBHVSA-N 1 0 355.486 2.356 20 30 FEEDRO CC[C@H]1C[N@H+](CC)CCN1C(=O)[C@@H]1CCCN(c2nc(C)ccc2C#N)C1 ZINC000456393314 560518940 /nfs/dbraw/zinc/51/89/40/560518940.db2.gz XVVUIMJQICMJMD-MOPGFXCFSA-N 1 0 369.513 2.421 20 30 FEEDRO CC1(C)CCC[N@@H+]1CCNC(=O)[C@H]1CCC(=O)N1Cc1cccc(C#N)c1 ZINC000457056421 560546201 /nfs/dbraw/zinc/54/62/01/560546201.db2.gz NWDUDRFTAZTODD-GOSISDBHSA-N 1 0 368.481 2.040 20 30 FEEDRO C=CCN1C(=O)c2ccc(C(=O)N[C@@H](C)C[N@@H+](CC)CCC)cc2C1=O ZINC000461651415 560778893 /nfs/dbraw/zinc/77/88/93/560778893.db2.gz WZOHMYLGYFCNGW-AWEZNQCLSA-N 1 0 357.454 2.319 20 30 FEEDRO COc1cc[nH+]c(N2CCN(C(=O)[C@@H](C)c3cccc(C#N)c3)CC2)c1 ZINC000462021581 560793175 /nfs/dbraw/zinc/79/31/75/560793175.db2.gz BJWYNKSXEMWRQY-HNNXBMFYSA-N 1 0 350.422 2.414 20 30 FEEDRO C[C@@H](C(=O)NCc1ccnc(OCC[NH+](C)C)c1)c1cccc(C#N)c1 ZINC000462267025 560803576 /nfs/dbraw/zinc/80/35/76/560803576.db2.gz GOFSCQBFGCEFPT-OAHLLOKOSA-N 1 0 352.438 2.314 20 30 FEEDRO C=CCOc1cc(OC)ccc1C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000463574592 560819137 /nfs/dbraw/zinc/81/91/37/560819137.db2.gz OXKIZFSQBXXZKM-SFHVURJKSA-N 1 0 350.484 2.427 20 30 FEEDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc(C#N)cc2OC)C[C@@H]1C ZINC000464420364 560841349 /nfs/dbraw/zinc/84/13/49/560841349.db2.gz PTEPWNAPEQHZRI-DZGCQCFKSA-N 1 0 351.472 2.060 20 30 FEEDRO Cn1cc(C[NH2+]CCCNS(=O)(=O)c2ccccc2Cl)cc1C#N ZINC000466382638 560885511 /nfs/dbraw/zinc/88/55/11/560885511.db2.gz HOUVVCAKTVONCE-UHFFFAOYSA-N 1 0 366.874 2.008 20 30 FEEDRO COc1cc(C[NH2+]CCc2cccc(C#N)c2)cc(Cl)c1OCC(N)=O ZINC000466422568 560886838 /nfs/dbraw/zinc/88/68/38/560886838.db2.gz MVMYGQLZHZRLGG-UHFFFAOYSA-N 1 0 373.840 2.417 20 30 FEEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1CCCc2n[nH]cc21 ZINC000467098788 560903569 /nfs/dbraw/zinc/90/35/69/560903569.db2.gz AQXQYSPKDNVFMA-QGZVFWFLSA-N 1 0 351.454 2.292 20 30 FEEDRO C=CCN(CC=C)C(=O)C[N@H+]1CCCN(c2cc(OC)cc(OC)c2)CC1 ZINC000468142836 560923536 /nfs/dbraw/zinc/92/35/36/560923536.db2.gz ABXBXPNIZLYZEQ-UHFFFAOYSA-N 1 0 373.497 2.417 20 30 FEEDRO N#CCCCn1cc(C(=O)NCC2CC[NH+](CCO)CC2)c2ccccc21 ZINC000469737578 560963261 /nfs/dbraw/zinc/96/32/61/560963261.db2.gz QVBNELPYFJWVLF-UHFFFAOYSA-N 1 0 368.481 2.379 20 30 FEEDRO COC(=O)[C@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)[C@@H]1C ZINC000469998848 560971340 /nfs/dbraw/zinc/97/13/40/560971340.db2.gz HVHJGAIMBUUTPC-NEPJUHHUSA-N 1 0 361.467 2.320 20 30 FEEDRO C=CCc1ccc(OC[C@H](O)C[N@H+]2CC[C@@H](C(=O)OC)[C@@H]2C)c(OC)c1 ZINC000470003327 560971681 /nfs/dbraw/zinc/97/16/81/560971681.db2.gz QDWLDBROGJTMDG-USXIJHARSA-N 1 0 363.454 2.047 20 30 FEEDRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)C1 ZINC000470971641 560995486 /nfs/dbraw/zinc/99/54/86/560995486.db2.gz XVHMYLVVQCXGMW-UXHICEINSA-N 1 0 368.481 2.200 20 30 FEEDRO CC(C)[C@@H]([NH2+]CCCC(C)(C)C#N)C(=O)N(C)Cc1nnc2n1CCC2 ZINC000470995930 560996044 /nfs/dbraw/zinc/99/60/44/560996044.db2.gz QQPFZICYKYNURU-QGZVFWFLSA-N 1 0 360.506 2.127 20 30 FEEDRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)[C@@H](C)Oc2ccc(C#N)cc2)C1 ZINC000471530777 561006511 /nfs/dbraw/zinc/00/65/11/561006511.db2.gz LYIVOAMAWKLXPC-APWZRJJASA-N 1 0 359.470 2.285 20 30 FEEDRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)[C@@H](C)Oc2ccccc2C#N)C1 ZINC000471569353 561007411 /nfs/dbraw/zinc/00/74/11/561007411.db2.gz GQCLIZIEIRVRDC-SJLPKXTDSA-N 1 0 359.470 2.285 20 30 FEEDRO CC(C)[C@H](Oc1ccccc1C#N)C(=O)NCC1(O)CC[NH+](C(C)C)CC1 ZINC000472417039 561025990 /nfs/dbraw/zinc/02/59/90/561025990.db2.gz VCAKCLIKRKFUEM-IBGZPJMESA-N 1 0 373.497 2.313 20 30 FEEDRO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@@H]1CCCN(c2nc(C)ccc2C#N)C1 ZINC000473506722 561051565 /nfs/dbraw/zinc/05/15/65/561051565.db2.gz NOXOYDFCBBZBOG-MOPGFXCFSA-N 1 0 369.513 2.421 20 30 FEEDRO N#CC[C@H](CC(=O)N1CCN(CC[NH+]2CCCC2)CC1)c1ccccc1 ZINC000474420139 561073706 /nfs/dbraw/zinc/07/37/06/561073706.db2.gz XBRZCWKKYKJCAL-HXUWFJFHSA-N 1 0 354.498 2.314 20 30 FEEDRO COC(=O)C1CC[NH+](CCCNC(=O)C[C@@H](CC#N)c2ccccc2)CC1 ZINC000474905939 561085197 /nfs/dbraw/zinc/08/51/97/561085197.db2.gz MEYAWTYKXKGQRP-LJQANCHMSA-N 1 0 371.481 2.465 20 30 FEEDRO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)c1cnn(C)c1C#N ZINC000475531556 561099422 /nfs/dbraw/zinc/09/94/22/561099422.db2.gz QIDHQJCQGUDAPX-UHFFFAOYSA-N 1 0 365.441 2.236 20 30 FEEDRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C[C@H](CC#N)c1ccccc1 ZINC000475530826 561099489 /nfs/dbraw/zinc/09/94/89/561099489.db2.gz OTSRPZPVPVBNHD-OALUTQOASA-N 1 0 370.497 2.133 20 30 FEEDRO C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)c3cnn(C)c3C#N)cc2)C1 ZINC000476125599 561111588 /nfs/dbraw/zinc/11/15/88/561111588.db2.gz ALTQZEARWHDVKQ-AWEZNQCLSA-N 1 0 353.426 2.265 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCCc2ccc(C)cc2C)CC1 ZINC000476445692 561119613 /nfs/dbraw/zinc/11/96/13/561119613.db2.gz XFAYXBPARKNUAU-UHFFFAOYSA-N 1 0 357.498 2.119 20 30 FEEDRO O=C1c2ccccc2C(=O)N1CC#CC[NH+]1CCC([C@H]2CCCO2)CC1 ZINC000528474426 562331060 /nfs/dbraw/zinc/33/10/60/562331060.db2.gz PGLGPJUGPPINDE-LJQANCHMSA-N 1 0 352.434 2.177 20 30 FEEDRO O=C1c2ccccc2C(=O)N1CC#CC[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000528479155 562331566 /nfs/dbraw/zinc/33/15/66/562331566.db2.gz VQBPOWASPYEBLW-IPMKNSEASA-N 1 0 364.445 2.223 20 30 FEEDRO Cc1ccc(NC(=O)Cc2ccc(C#N)nc2)cc1NC(=O)CC[NH+](C)C ZINC000529044839 562357876 /nfs/dbraw/zinc/35/78/76/562357876.db2.gz NTFFNIGNULHURQ-UHFFFAOYSA-N 1 0 365.437 2.333 20 30 FEEDRO C[C@@H]1C[C@@H]([NH2+]C[C@H](O)COc2ccccc2C#N)C(=O)N1c1ccccc1 ZINC000530230850 562403093 /nfs/dbraw/zinc/40/30/93/562403093.db2.gz KJMASJHKZPJDKG-AYOQOUSVSA-N 1 0 365.433 2.082 20 30 FEEDRO N#Cc1ccccc1OC[C@@H](O)C[NH2+]C1CCN(c2nccs2)CC1 ZINC000530232847 562403294 /nfs/dbraw/zinc/40/32/94/562403294.db2.gz BRHKGCBEFQYICX-INIZCTEOSA-N 1 0 358.467 2.013 20 30 FEEDRO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)c1ccnc(C#N)c1 ZINC000530299739 562406056 /nfs/dbraw/zinc/40/60/56/562406056.db2.gz UZQADHZUYUYSSV-UHFFFAOYSA-N 1 0 369.513 2.222 20 30 FEEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000531044475 562432652 /nfs/dbraw/zinc/43/26/52/562432652.db2.gz NCVGWPGHHKKQLT-HUUCEWRRSA-N 1 0 374.510 2.477 20 30 FEEDRO C=CCc1ccccc1OC[C@@H](O)C[N@@H+](CC(C)(C)O)C1CCOCC1 ZINC000531415926 562445126 /nfs/dbraw/zinc/44/51/26/562445126.db2.gz FODQWXXDNCUYHA-IBGZPJMESA-N 1 0 363.498 2.407 20 30 FEEDRO COc1ccc(Br)c(CC(=O)NC2(C#N)CC[NH+](C)CC2)c1 ZINC000532657000 562484771 /nfs/dbraw/zinc/48/47/71/562484771.db2.gz VNEIYNWMUMNWLQ-UHFFFAOYSA-N 1 0 366.259 2.104 20 30 FEEDRO N#Cc1cccc(NC(=O)C2CC[NH+](CCOC[C@@H]3CCCO3)CC2)c1 ZINC000533038262 562496422 /nfs/dbraw/zinc/49/64/22/562496422.db2.gz MXNIKKRZKQFVGP-IBGZPJMESA-N 1 0 357.454 2.404 20 30 FEEDRO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)C2(c3cccc(C#N)c3)CC2)CC1 ZINC000533266354 562503347 /nfs/dbraw/zinc/50/33/47/562503347.db2.gz OGXYBNWIFFIFKB-INIZCTEOSA-N 1 0 355.482 2.141 20 30 FEEDRO C[N@H+](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)C1CCOCC1 ZINC000533308579 562504699 /nfs/dbraw/zinc/50/46/99/562504699.db2.gz DBNVGSZSTMRRND-UHFFFAOYSA-N 1 0 354.372 2.284 20 30 FEEDRO COC(=O)c1cccc(CN(C)CC(C)(C)C[NH+]2CCOCC2)c1C#N ZINC000533761494 562517689 /nfs/dbraw/zinc/51/76/89/562517689.db2.gz KPEPWORJVZHAGN-UHFFFAOYSA-N 1 0 359.470 2.135 20 30 FEEDRO CC[NH+](CC)CCO[C@@H]1CCN(Cc2cccc(C(=O)OC)c2C#N)C1 ZINC000535205678 562553099 /nfs/dbraw/zinc/55/30/99/562553099.db2.gz JOBILXDNAZKHHL-QGZVFWFLSA-N 1 0 359.470 2.278 20 30 FEEDRO COc1cc([C@@H](C)[NH2+]CC(=O)N[C@](C)(C#N)C2CC2)cc(OC)c1OC ZINC000537022126 562584117 /nfs/dbraw/zinc/58/41/17/562584117.db2.gz YZTCBRKYQXGBRM-CWTRNNRKSA-N 1 0 361.442 2.171 20 30 FEEDRO COc1cc([C@@H](C)[NH2+]CC(=O)N[C@@](C)(C#N)C2CC2)cc(OC)c1OC ZINC000537022124 562584200 /nfs/dbraw/zinc/58/42/00/562584200.db2.gz YZTCBRKYQXGBRM-BLVKFPJESA-N 1 0 361.442 2.171 20 30 FEEDRO C[NH+]1CCN(C[C@@H](NC(=O)N2CCC(CC#N)CC2)c2ccccc2)CC1 ZINC000540993889 562599778 /nfs/dbraw/zinc/59/97/78/562599778.db2.gz PTTACVZFDNNQAN-HXUWFJFHSA-N 1 0 369.513 2.310 20 30 FEEDRO CC(=O)NC1CCC([N@H+](C)CC(=O)N(CCC#N)c2ccccc2)CC1 ZINC000541316723 562608993 /nfs/dbraw/zinc/60/89/93/562608993.db2.gz CNHJLDMWRVQZSV-UHFFFAOYSA-N 1 0 356.470 2.312 20 30 FEEDRO COc1cc(C#N)ccc1NC(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000546005637 562632556 /nfs/dbraw/zinc/63/25/56/562632556.db2.gz SVMJJQDDWGKQHL-MAUKXSAKSA-N 1 0 371.485 2.057 20 30 FEEDRO C[NH+]1CCC(n2cc(NC(=O)[C@H](C#N)Cc3ccc(C#N)cc3)cn2)CC1 ZINC000601778588 567839145 /nfs/dbraw/zinc/83/91/45/567839145.db2.gz NORVCLATIHVDNI-KRWDZBQOSA-N 1 0 362.437 2.342 20 30 FEEDRO C[NH+]1CCN(c2ccnc(NC(=O)[C@H](C#N)Cc3ccc(C#N)cc3)c2)CC1 ZINC000601807580 567851995 /nfs/dbraw/zinc/85/19/95/567851995.db2.gz SXMMTEZJKBIUPE-SFHVURJKSA-N 1 0 374.448 2.026 20 30 FEEDRO C[NH+](C)CCn1c2cc(C(=O)NC3(C#N)CCCCC3)ccc2[nH]c1=O ZINC000602085877 567921239 /nfs/dbraw/zinc/92/12/39/567921239.db2.gz KOZHYFCRLLOFNQ-UHFFFAOYSA-N 1 0 355.442 2.260 20 30 FEEDRO CN(C(=O)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1)[C@H]1CCC[C@H]1C#N ZINC000602065210 567923725 /nfs/dbraw/zinc/92/37/25/567923725.db2.gz CFFXGTPECIJSGG-HKUYNNGSSA-N 1 0 368.481 2.414 20 30 FEEDRO N#CCCN1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)CC1 ZINC000602210232 567952947 /nfs/dbraw/zinc/95/29/47/567952947.db2.gz NEOBWIYGSJYSFU-GOSISDBHSA-N 1 0 358.461 2.096 20 30 FEEDRO COc1ccc(S(=O)(=O)N2CCC[N@H+](C[C@H](C)CCC#N)CC2)cc1 ZINC000602484833 567985271 /nfs/dbraw/zinc/98/52/71/567985271.db2.gz IWJQRBBUDJVXAW-MRXNPFEDSA-N 1 0 365.499 2.331 20 30 FEEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccc(N2CCO[C@@H](C)C2)nc1 ZINC000602514925 567989785 /nfs/dbraw/zinc/98/97/85/567989785.db2.gz MUTCUPBSFRNXJX-SJORKVTESA-N 1 0 358.486 2.495 20 30 FEEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1CC(=O)N(CCOc2ccccc2)C1 ZINC000602552443 567990849 /nfs/dbraw/zinc/99/08/49/567990849.db2.gz WVUWICAXVXXEOO-ZWKOTPCHSA-N 1 0 371.481 2.355 20 30 FEEDRO C[C@@H]1C[N@@H+](C[C@@H](O)COc2cccc3ccccc32)C[C@H](C)N1CC#N ZINC000602857364 568002732 /nfs/dbraw/zinc/00/27/32/568002732.db2.gz RASXMRUVFZKMCE-ZIFCJYIRSA-N 1 0 353.466 2.498 20 30 FEEDRO C[C@@H]1C[N@@H+](C[C@@H](O)COCc2ccccc2Cl)C[C@H](C)N1CC#N ZINC000602858178 568002880 /nfs/dbraw/zinc/00/28/80/568002880.db2.gz ZVDSSMHJDPZLQS-HLLBOEOZSA-N 1 0 351.878 2.136 20 30 FEEDRO C[C@@H]1C[NH+](CCCCCn2nnc(-c3ccccc3)n2)C[C@@H](C)N1CC#N ZINC000602858807 568003072 /nfs/dbraw/zinc/00/30/72/568003072.db2.gz VHVBZZZFDYVOKJ-QZTJIDSGSA-N 1 0 367.501 2.429 20 30 FEEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000602918573 568012830 /nfs/dbraw/zinc/01/28/30/568012830.db2.gz SWXZTGPKMGYMDO-DFBGVHRSSA-N 1 0 351.834 2.160 20 30 FEEDRO COc1cc(NC(=O)C[NH2+][C@@H](C)CC2(C#N)CCOCC2)cc(OC)c1 ZINC000602694346 568015893 /nfs/dbraw/zinc/01/58/93/568015893.db2.gz LKFFXQMBAXQSDD-AWEZNQCLSA-N 1 0 361.442 2.331 20 30 FEEDRO N#Cc1ccc(C2CC[NH+](C[C@@H](O)CC3(C#N)CCOCC3)CC2)nc1 ZINC000602906642 568016572 /nfs/dbraw/zinc/01/65/72/568016572.db2.gz LPNIMEPJXRGWOR-SFHVURJKSA-N 1 0 354.454 2.204 20 30 FEEDRO COc1ccc(C[N@H+](CC(=O)NC2(C#N)CCC2)[C@@H](C)CCCO)cc1 ZINC000602966658 568024802 /nfs/dbraw/zinc/02/48/02/568024802.db2.gz NBZLQYVACMDQHL-INIZCTEOSA-N 1 0 359.470 2.221 20 30 FEEDRO Cn1cc([C@@H]2C[N@H+](C[C@H](O)COc3ccc(C#N)cc3)CC2(C)C)cn1 ZINC000568468359 568041509 /nfs/dbraw/zinc/04/15/09/568041509.db2.gz VYEUQALHOKRWCE-HKUYNNGSSA-N 1 0 354.454 2.157 20 30 FEEDRO C[C@H](C#N)CSc1ccccc1NC(=O)Cn1cc(C[NH2+]C2CC2)nn1 ZINC000603216296 568076661 /nfs/dbraw/zinc/07/66/61/568076661.db2.gz OQNXWDZKIZHCID-CYBMUJFWSA-N 1 0 370.482 2.421 20 30 FEEDRO O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)N1C[C@H]2CC[C@@H](C1)O2 ZINC000330275407 568083044 /nfs/dbraw/zinc/08/30/44/568083044.db2.gz LLRMJFKJVZIBGW-CEXWTWQISA-N 1 0 359.470 2.055 20 30 FEEDRO CCCC[NH+]1CCC(NS(=O)(=O)Cc2ccc(F)cc2C#N)CC1 ZINC000569163311 568301072 /nfs/dbraw/zinc/30/10/72/568301072.db2.gz BGWWPSUKEXGTAE-UHFFFAOYSA-N 1 0 353.463 2.381 20 30 FEEDRO CC1CCC([NH+]2CCN(C(=O)C(=O)Nc3ccc(C#N)c(F)c3)CC2)CC1 ZINC000569175760 568304674 /nfs/dbraw/zinc/30/46/74/568304674.db2.gz UGBIMXSVKHOCPF-UHFFFAOYSA-N 1 0 372.444 2.359 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+]CCOC2CCCCCC2)nc1 ZINC000570391014 568482458 /nfs/dbraw/zinc/48/24/58/568482458.db2.gz SGGDFUUNDWFPHM-UHFFFAOYSA-N 1 0 351.472 2.056 20 30 FEEDRO C[C@@H]([NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1)C(=O)Nc1cccc(C#N)c1 ZINC000820414053 599391401 /nfs/dbraw/zinc/39/14/01/599391401.db2.gz WYEYDTXDSQGBHC-QWHCGFSZSA-N 1 0 361.409 2.416 20 30 FEEDRO C[N@H+](Cc1ccccc1)[C@H](CNS(=O)(=O)c1ccc(C#N)o1)C1CC1 ZINC000557836638 674469664 /nfs/dbraw/zinc/46/96/64/674469664.db2.gz SUJQSGBRICFTOM-QGZVFWFLSA-N 1 0 359.451 2.340 20 30 FEEDRO COc1cc(CNS(=O)(=O)c2ccc(C[NH+](C)C)cc2)ccc1C#N ZINC000558483486 674499415 /nfs/dbraw/zinc/49/94/15/674499415.db2.gz SKNKWTWDWZBMOX-UHFFFAOYSA-N 1 0 359.451 2.107 20 30 FEEDRO C=CC[N@H+](CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2)C1CC1 ZINC000823904018 608267120 /nfs/dbraw/zinc/26/71/20/608267120.db2.gz RJGRLQLWTBWHRX-UHFFFAOYSA-N 1 0 358.471 2.396 20 30 FEEDRO C[C@@H]([NH2+]CCC(=O)Nc1cccc(C#N)c1)c1cccc(-c2nn[nH]n2)c1 ZINC000824584692 608490776 /nfs/dbraw/zinc/49/07/76/608490776.db2.gz DYRDDVFRWYHIII-CYBMUJFWSA-N 1 0 361.409 2.418 20 30 FEEDRO CC1(C#N)CC[NH+](CCC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)CC1 ZINC000824778402 609142299 /nfs/dbraw/zinc/14/22/99/609142299.db2.gz OEHVWZBJCOTFMP-UHFFFAOYSA-N 1 0 373.848 2.474 20 30 FEEDRO N#CC1(NC(=O)C[NH2+][C@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)CCC1 ZINC000561347818 674658885 /nfs/dbraw/zinc/65/88/85/674658885.db2.gz JNXJZKYYJJPGRB-GOEBONIOSA-N 1 0 351.809 2.461 20 30 FEEDRO COc1cccc(NC(=S)NN=C2CC[NH+](CC(C)(C)O)CC2)c1 ZINC000814213767 674826679 /nfs/dbraw/zinc/82/66/79/674826679.db2.gz SAESRRYSKSKWIH-UHFFFAOYSA-N 1 0 350.488 2.204 20 30 FEEDRO CC(N=Nc1ccc(S(=O)(=O)NC2CC2)cc1)C1CC[NH+](C)CC1 ZINC000814828013 674882583 /nfs/dbraw/zinc/88/25/83/674882583.db2.gz JZCFNOJABLTOLD-UHFFFAOYSA-N 1 0 350.488 2.257 20 30 FEEDRO C#CC[N@@H+](C)CCCNS(=O)(=O)c1cccc2c1cccc2N(C)C ZINC000815082971 674913943 /nfs/dbraw/zinc/91/39/43/674913943.db2.gz JTBSABKDCXVHQM-UHFFFAOYSA-N 1 0 359.495 2.139 20 30 FEEDRO C#CC[N@H+](C)CCCNS(=O)(=O)/C=C/c1ccccc1Br ZINC000815082962 674914012 /nfs/dbraw/zinc/91/40/12/674914012.db2.gz JPMMDRAGEZYECW-UKTHLTGXSA-N 1 0 371.300 2.294 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@H](C)O ZINC001048570236 675010693 /nfs/dbraw/zinc/01/06/93/675010693.db2.gz IDWIVIFMOKSALQ-XEZGLNCPSA-N 1 0 350.503 2.098 20 30 FEEDRO CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CCN1c1nc(C#N)c(Cl)s1 ZINC001048706784 675013470 /nfs/dbraw/zinc/01/34/70/675013470.db2.gz XQCBCWBMYGKFTF-WCQYABFASA-N 1 0 367.906 2.237 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3c(C)nsc3C)C[C@@H]2C1 ZINC001049069739 675022365 /nfs/dbraw/zinc/02/23/65/675022365.db2.gz OOFUCKSHTJVOKY-HPFXQQBRSA-N 1 0 361.511 2.241 20 30 FEEDRO CCN(C1CC[NH+](Cc2ccc(O[C@H](C)C#N)cc2)CC1)S(C)(=O)=O ZINC000093320633 670751479 /nfs/dbraw/zinc/75/14/79/670751479.db2.gz JZJXOQUEXRGGGL-OAHLLOKOSA-N 1 0 365.499 2.223 20 30 FEEDRO CC(C)N(C)S(=O)(=O)c1ccc(CNC(=[NH2+])N2CCC[C@@H](C)C2)cc1 ZINC000104178732 670790922 /nfs/dbraw/zinc/79/09/22/670790922.db2.gz HJVIULVJNIUQGM-OAHLLOKOSA-N 1 0 366.531 2.262 20 30 FEEDRO C=CCn1c(SC[C@H](O)C[N@@H+](C)C(C)C)nc2sccc2c1=O ZINC000565725758 675147012 /nfs/dbraw/zinc/14/70/12/675147012.db2.gz KOMXXYKPUHTRJT-GFCCVEGCSA-N 1 0 353.513 2.437 20 30 FEEDRO O=C(NCC[NH2+]Cc1cnc(-c2ccccc2)s1)C1N=CC=CC1=O ZINC000113360984 670883939 /nfs/dbraw/zinc/88/39/39/670883939.db2.gz RKXWXPDPBKSXNX-MSUUIHNZSA-N 1 0 354.435 2.426 20 30 FEEDRO CC(C)(C#N)c1ccccc1C[NH+]1CCC(N2CCCS2(=O)=O)CC1 ZINC000574137219 671206407 /nfs/dbraw/zinc/20/64/07/671206407.db2.gz SPARUTUCBYJXBW-UHFFFAOYSA-N 1 0 361.511 2.488 20 30 FEEDRO CCCCCCCC(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000818015188 675190996 /nfs/dbraw/zinc/19/09/96/675190996.db2.gz KVJQJXPPGDHGCQ-SJORKVTESA-N 1 0 350.507 2.094 20 30 FEEDRO C=CCOCC[N@@H+]1CCC[C@@H](S(=O)(=O)N2CCc3ccccc32)C1 ZINC000575818731 671323395 /nfs/dbraw/zinc/32/33/95/671323395.db2.gz XWOPKGSAXKXVMO-QGZVFWFLSA-N 1 0 350.484 2.046 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)NC[C@H]2CCC[N@@H+]2CC2CCCCC2)o1 ZINC000576969776 671408069 /nfs/dbraw/zinc/40/80/69/671408069.db2.gz RVNPUZDYSRLPEO-OAHLLOKOSA-N 1 0 351.472 2.474 20 30 FEEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+]C[C@H]2CC23CCSCC3)c1 ZINC000578436497 671665176 /nfs/dbraw/zinc/66/51/76/671665176.db2.gz XCCFALHLKJPFKP-OAHLLOKOSA-N 1 0 350.509 2.455 20 30 FEEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+]C[C@@H]2CC23CCSCC3)c1 ZINC000578436496 671665248 /nfs/dbraw/zinc/66/52/48/671665248.db2.gz XCCFALHLKJPFKP-HNNXBMFYSA-N 1 0 350.509 2.455 20 30 FEEDRO CN(CCS(=O)(=O)c1ccc(C#N)cn1)[C@H]1CCc2ccccc2C1 ZINC000579520906 671741798 /nfs/dbraw/zinc/74/17/98/671741798.db2.gz OQFNBSYQFLOLNA-SFHVURJKSA-N 1 0 355.463 2.216 20 30 FEEDRO CC[NH+](CC)CC#C[C@@H](C)OC(=O)c1cccc(CS(C)(=O)=O)c1 ZINC000121325911 671946762 /nfs/dbraw/zinc/94/67/62/671946762.db2.gz HYROAYNONRNJMD-OAHLLOKOSA-N 1 0 351.468 2.122 20 30 FEEDRO [NH2+]=C(NC[C@H](CO)Cc1ccc(OC(F)(F)F)cc1)NCC1CCC1 ZINC000128885110 672054402 /nfs/dbraw/zinc/05/44/02/672054402.db2.gz DAJPOFMLLPEFQH-CQSZACIVSA-N 1 0 359.392 2.441 20 30 FEEDRO C[C@H]([NH3+])[C@@H]1CCCCN1S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000583142742 672067506 /nfs/dbraw/zinc/06/75/06/672067506.db2.gz JHSNPRBPZLXGCO-HZMBPMFUSA-N 1 0 372.288 2.211 20 30 FEEDRO CS(=O)(=O)N1CC[C@H](C[NH+]=C(Nc2ccccc2)N2CCCCC2)C1 ZINC000133836638 672116116 /nfs/dbraw/zinc/11/61/16/672116116.db2.gz JFTTWOLFLNTCEP-MRXNPFEDSA-N 1 0 364.515 2.222 20 30 FEEDRO CS(=O)(=O)N[C@H]1CCC[C@@H]1CNC(=[NH2+])Nc1cccc2c1CCCC2 ZINC000134117818 672119960 /nfs/dbraw/zinc/11/99/60/672119960.db2.gz ODUBRNMVEPEATA-ZBFHGGJFSA-N 1 0 364.515 2.010 20 30 FEEDRO Cc1ccccc1[C@@H]([C@H](C)NS(=O)(=O)c1cncc(C#N)c1)[NH+](C)C ZINC000584498458 672193599 /nfs/dbraw/zinc/19/35/99/672193599.db2.gz QOARBTVTTRMMDQ-KBXCAEBGSA-N 1 0 358.467 2.231 20 30 FEEDRO C[NH+]=C(NCc1nncn1-c1ccccc1)N1CCS[C@H](C(C)C)C1 ZINC000153765753 672204260 /nfs/dbraw/zinc/20/42/60/672204260.db2.gz IPLVQMFZCCASRB-INIZCTEOSA-N 1 0 358.515 2.416 20 30 FEEDRO C[NH+]=C(NCc1ncccc1C)N[C@H]1CCN(c2ncccc2Cl)C1 ZINC000158965070 672275320 /nfs/dbraw/zinc/27/53/20/672275320.db2.gz LZIMOHGTLZQKHR-AWEZNQCLSA-N 1 0 358.877 2.382 20 30 FEEDRO C=C(Br)CNC(N[C@@H]1CCN(c2ncccc2Cl)C1)=[NH+]C ZINC000158973673 672275327 /nfs/dbraw/zinc/27/53/27/672275327.db2.gz IQWXQMYLJXINSL-LLVKDONJSA-N 1 0 372.698 2.387 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N(C)[C@@H](C)CNC(=O)OC(C)(C)C)CC1 ZINC000171907829 672337497 /nfs/dbraw/zinc/33/74/97/672337497.db2.gz OHJAALHPAGHURJ-AWEZNQCLSA-N 1 0 354.495 2.191 20 30 FEEDRO C[N@@H+]1C[C@H]2CCN(CCC(=O)Nc3sc4c(c3C#N)CCCC4)[C@@H]2C1 ZINC000590010708 672554737 /nfs/dbraw/zinc/55/47/37/672554737.db2.gz BYSIAHYLNUKLTM-CZUORRHYSA-N 1 0 358.511 2.463 20 30 FEEDRO C[N@@H+]1CCC[C@H](CNC(=O)C(=O)Nc2scc(C(C)(C)C)c2C#N)C1 ZINC000590226856 672566537 /nfs/dbraw/zinc/56/65/37/672566537.db2.gz VVPGMBKBDPBIDP-GFCCVEGCSA-N 1 0 362.499 2.314 20 30 FEEDRO C[N@@H+]1C[C@@H]2CCN(C(=O)C(=O)Nc3scc(C(C)(C)C)c3C#N)[C@@H]2C1 ZINC000590278492 672569515 /nfs/dbraw/zinc/56/95/15/672569515.db2.gz LGEHGXVICQYBSZ-SMDDNHRTSA-N 1 0 360.483 2.018 20 30 FEEDRO COC(=O)[C@@H]1CCC[C@@H]1[NH2+]CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000591039426 672644081 /nfs/dbraw/zinc/64/40/81/672644081.db2.gz KZUQHFBCDNBIDW-OCCSQVGLSA-N 1 0 361.467 2.368 20 30 FEEDRO CC(C)(C#N)c1ccc(C[NH+]2CCC(N3CCCS3(=O)=O)CC2)cc1 ZINC000591041244 672644576 /nfs/dbraw/zinc/64/45/76/672644576.db2.gz GOTPYZVEMPGVNQ-UHFFFAOYSA-N 1 0 361.511 2.488 20 30 FEEDRO N#CCN1CCC([NH2+]C[C@H](O)COc2ccccc2C(F)(F)F)CC1 ZINC000591735957 672706690 /nfs/dbraw/zinc/70/66/90/672706690.db2.gz AOVOYYMUHVBQQA-AWEZNQCLSA-N 1 0 357.376 2.023 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1C[C@@H](C)[C@H](C(=O)OC)C1)C(C)C ZINC000591912530 672720829 /nfs/dbraw/zinc/72/08/29/672720829.db2.gz VSOCMFRSRHIAAL-BRWVUGGUSA-N 1 0 351.491 2.136 20 30 FEEDRO CN(CC[NH+](C)C)C(=O)C(=O)Nc1cccc(C#Cc2cccs2)c1 ZINC000682095394 672735534 /nfs/dbraw/zinc/73/55/34/672735534.db2.gz HAHQCSKBFQFAAQ-UHFFFAOYSA-N 1 0 355.463 2.106 20 30 FEEDRO COc1cc(NC(=O)CC[N@@H+]2CC[C@](O)(CC#N)C2)c(OC)cc1Cl ZINC000592152518 672764761 /nfs/dbraw/zinc/76/47/61/672764761.db2.gz YNZXAVMCEQZDEJ-QGZVFWFLSA-N 1 0 367.833 2.036 20 30 FEEDRO C[C@@H]1CCCN(S(=O)(=O)c2cccc(Br)c2C#N)[C@H]1C[NH3+] ZINC000592370514 672793171 /nfs/dbraw/zinc/79/31/71/672793171.db2.gz JGYQTOIPDHHZHI-MFKMUULPSA-N 1 0 372.288 2.069 20 30 FEEDRO CC[C@H]([NH2+]Cc1cnc2ccc(C#N)cn12)C(=O)NCc1cccs1 ZINC000592374900 672793955 /nfs/dbraw/zinc/79/39/55/672793955.db2.gz PCWXKNCXRQEETL-INIZCTEOSA-N 1 0 353.451 2.452 20 30 FEEDRO CCCS(=O)(=O)N1CCC([NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)CC1 ZINC000236794302 672803581 /nfs/dbraw/zinc/80/35/81/672803581.db2.gz WKGACWPFHZSXGV-HNNXBMFYSA-N 1 0 365.499 2.271 20 30 FEEDRO N#C[C@@H](c1cccs1)N1CCN(C(=O)C[N@@H+]2CCC23CCCC3)CC1 ZINC000593039394 672867187 /nfs/dbraw/zinc/86/71/87/672867187.db2.gz RYSMEFSYWCNRAY-INIZCTEOSA-N 1 0 358.511 2.475 20 30 FEEDRO C[NH+]=C(NCC[C@@H]1CCC[C@H](C)C1)NCC1CCN(S(C)(=O)=O)CC1 ZINC000261662279 672900800 /nfs/dbraw/zinc/90/08/00/672900800.db2.gz NXKDKSZGEJHMIH-HOTGVXAUSA-N 1 0 372.579 2.039 20 30 FEEDRO CC[NH+]=C(NCC(C)(C)C(=O)NC)N1CCSC2(CCCCC2)C1 ZINC000261672463 672901366 /nfs/dbraw/zinc/90/13/66/672901366.db2.gz CCYOQYXFFYYZTG-UHFFFAOYSA-N 1 0 354.564 2.476 20 30 FEEDRO C[NH+]=C(NCc1nnc2n1CCCCC2)N1CCS[C@H](C(C)C)C1 ZINC000261763448 672902556 /nfs/dbraw/zinc/90/25/56/672902556.db2.gz NGRSEXUOABSCME-AWEZNQCLSA-N 1 0 350.536 2.153 20 30 FEEDRO C[NH+]=C(NC[C@]1(C)CCCC[C@H]1O)N1CCN(c2cccs2)CC1 ZINC000261776999 672903009 /nfs/dbraw/zinc/90/30/09/672903009.db2.gz OVBHLTWOUUTSDC-QAPCUYQASA-N 1 0 350.532 2.387 20 30 FEEDRO CCO[C@@H]1C[C@H](NC(NC[C@@]2(O)CCSC2)=[NH+]C)C12CCCCC2 ZINC000262336903 672913436 /nfs/dbraw/zinc/91/34/36/672913436.db2.gz BZPVNEMZFIAWCL-UXLLHSPISA-N 1 0 355.548 2.147 20 30 FEEDRO C=C(C)CNC(=[NH+]C[C@@H]1CCS(=O)(=O)C1)N1C[C@H](C)CC(C)(C)C1 ZINC000262338701 672913438 /nfs/dbraw/zinc/91/34/38/672913438.db2.gz CGJAFSICJPJTRP-CVEARBPZSA-N 1 0 355.548 2.311 20 30 FEEDRO CC[NH+]=C(N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C)N1CCC(C(=O)OC)CC1 ZINC000262407197 672915189 /nfs/dbraw/zinc/91/51/89/672915189.db2.gz OSQUXNFJBJKKHF-ARFHVFGLSA-N 1 0 351.491 2.041 20 30 FEEDRO CC(C)[NH+]=C(NC[C@@H]1CCc2ccccc21)NC[C@@H]1CCS(=O)(=O)C1 ZINC000262405647 672915198 /nfs/dbraw/zinc/91/51/98/672915198.db2.gz OKZHMDCWUDIEEN-RDJZCZTQSA-N 1 0 363.527 2.095 20 30 FEEDRO C[C@H](CNC(=[NH2+])N1CCO[C@H](C)C1)Oc1ccccc1Br ZINC000262502759 672917131 /nfs/dbraw/zinc/91/71/31/672917131.db2.gz YYPSVIOVZDFXJG-VXGBXAGGSA-N 1 0 356.264 2.252 20 30 FEEDRO C=CC[C@H]1CC[C@H]([NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000593598284 672954175 /nfs/dbraw/zinc/95/41/75/672954175.db2.gz NAECQDYAOQPORQ-KBPBESRZSA-N 1 0 353.444 2.208 20 30 FEEDRO CC(C)C[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1 ZINC000593657004 672972615 /nfs/dbraw/zinc/97/26/15/672972615.db2.gz DVKAQKAEHCZREY-UHFFFAOYSA-N 1 0 350.850 2.244 20 30 FEEDRO CC(C)(CNC(=[NH2+])NCCCN1CCOCC1)c1ccc(Cl)cc1 ZINC000303884736 673018609 /nfs/dbraw/zinc/01/86/09/673018609.db2.gz MVKCIIIEYLEDNS-UHFFFAOYSA-N 1 0 352.910 2.244 20 30 FEEDRO CC(C)CCNC(=[NH2+])NCc1ccc(S(=O)(=O)N(C)C(C)C)cc1 ZINC000303882660 673018693 /nfs/dbraw/zinc/01/86/93/673018693.db2.gz LTIIMXTYCBJNOR-UHFFFAOYSA-N 1 0 354.520 2.166 20 30 FEEDRO [NH2+]=C(NCc1ccccc1CO)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000303888777 673018719 /nfs/dbraw/zinc/01/87/19/673018719.db2.gz PDETWDLCWOCSGV-UHFFFAOYSA-N 1 0 358.873 2.469 20 30 FEEDRO C[NH+]=C(NCCCc1ccc(Cl)cc1Cl)NCCN1CCOCC1 ZINC000304518463 673020343 /nfs/dbraw/zinc/02/03/43/673020343.db2.gz WRLRPVULKAHJLN-UHFFFAOYSA-N 1 0 373.328 2.423 20 30 FEEDRO COC[C@H](C)NC(=[NH2+])NC[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000304759949 673020724 /nfs/dbraw/zinc/02/07/24/673020724.db2.gz RSNYNLHKEAWBHL-DZGCQCFKSA-N 1 0 350.463 2.192 20 30 FEEDRO CCOC(=O)N1CCC(NC(=[NH2+])N[C@H]2C[C@H](OC)C2(CC)CC)CC1 ZINC000305059705 673021292 /nfs/dbraw/zinc/02/12/92/673021292.db2.gz FCCQQPUBLLHWEX-GJZGRUSLSA-N 1 0 354.495 2.105 20 30 FEEDRO [NH2+]=C(NCc1ccc(S(=O)(=O)N2CCCC2)cc1)N1CCCCCC1 ZINC000305094451 673021465 /nfs/dbraw/zinc/02/14/65/673021465.db2.gz YRVYPRWZDCMGQG-UHFFFAOYSA-N 1 0 364.515 2.162 20 30 FEEDRO CCOC(=O)N1CCC(NC(=[NH2+])NC[C@H](C)c2ncc(C)s2)CC1 ZINC000305819776 673021947 /nfs/dbraw/zinc/02/19/47/673021947.db2.gz OERJSNBSWJMUQH-NSHDSACASA-N 1 0 353.492 2.080 20 30 FEEDRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)Cc2ccc(Br)cc2C#N)C1 ZINC000594108329 673031807 /nfs/dbraw/zinc/03/18/07/673031807.db2.gz SEUQXUROWMTLSJ-WGRBQBNCSA-N 1 0 350.260 2.320 20 30 FEEDRO CCC(C)(C)[NH+]1CCN(C(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)CC1 ZINC000594316534 673057242 /nfs/dbraw/zinc/05/72/42/673057242.db2.gz YHZDRHKEJJILJR-UHFFFAOYSA-N 1 0 362.861 2.483 20 30 FEEDRO C#CC[N@H+](C)CCCNS(=O)(=O)c1cc(Br)sc1C ZINC000327982595 673062459 /nfs/dbraw/zinc/06/24/59/673062459.db2.gz JDJIOCHQANDXEA-UHFFFAOYSA-N 1 0 365.318 2.052 20 30 FEEDRO CN(C(=O)[C@H]([NH3+])CCCCC#N)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000594433916 673071313 /nfs/dbraw/zinc/07/13/13/673071313.db2.gz IWXSQVQTKSEZLQ-GDBMZVCRSA-N 1 0 362.861 2.315 20 30 FEEDRO N#CCCCC[C@@H]([NH3+])C(=O)NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1 ZINC000594438960 673071962 /nfs/dbraw/zinc/07/19/62/673071962.db2.gz RISLWNCFAPGCLB-SUMWQHHRSA-N 1 0 350.413 2.319 20 30 FEEDRO CC(C)(C)N1C[C@@H](C(=O)NCC2([NH+]3CCCC3)CCOCC2)CC1=O ZINC000329111871 673072299 /nfs/dbraw/zinc/07/22/99/673072299.db2.gz RAVANMGVFZVMTA-HNNXBMFYSA-N 1 0 351.491 2.235 20 30 FEEDRO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000725809209 673091633 /nfs/dbraw/zinc/09/16/33/673091633.db2.gz IUJWINKNWSZSMR-JKSUJKDBSA-N 1 0 351.491 2.422 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2CC3CCC2(C[NH3+])CC3)cc1C(F)(F)F ZINC000594531777 673095365 /nfs/dbraw/zinc/09/53/65/673095365.db2.gz FKNHDPOVPRUZOK-UHFFFAOYSA-N 1 0 373.400 2.469 20 30 FEEDRO CC(C)(CCC#N)C[NH2+]CCNC(=O)c1ccc(Br)cn1 ZINC000594955599 673180520 /nfs/dbraw/zinc/18/05/20/673180520.db2.gz CRFKWXMGJHXGQJ-UHFFFAOYSA-N 1 0 353.264 2.493 20 30 FEEDRO C[C@H](CCNC(=O)C(=O)Nc1ccccc1S[C@@H](C)CC#N)[NH+](C)C ZINC000595126465 673198324 /nfs/dbraw/zinc/19/83/24/673198324.db2.gz YGAJDMUJSWLSPJ-KGLIPLIRSA-N 1 0 362.499 2.476 20 30 FEEDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CCC[C@@H](CC#N)C2)[C@H](C)C1 ZINC000595512324 673259630 /nfs/dbraw/zinc/25/96/30/673259630.db2.gz XOPJYXUBHBDZDK-SQNIBIBYSA-N 1 0 350.507 2.459 20 30 FEEDRO CCN1C(=O)[C@@H](CC(=O)NCC[NH+](C)C)SC1=Nc1ccccc1C ZINC000730141204 673263704 /nfs/dbraw/zinc/26/37/04/673263704.db2.gz NYMYLNNSNUQIMX-OAHLLOKOSA-N 1 0 362.499 2.014 20 30 FEEDRO CN(C(=O)C[NH2+]C1(c2cccc(C#N)c2)CCOCC1)c1nccs1 ZINC000595763779 673290409 /nfs/dbraw/zinc/29/04/09/673290409.db2.gz COCDVMLUIXZWSA-UHFFFAOYSA-N 1 0 356.451 2.273 20 30 FEEDRO C[C@H](c1ccccc1)[C@H](CO)[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000613389982 676127123 /nfs/dbraw/zinc/12/71/23/676127123.db2.gz OMMWELGWFBFQPW-BEFAXECRSA-N 1 0 358.463 2.086 20 30 FEEDRO C[C@H](c1ccccc1)[C@H](CO)[NH2+]CCS(=O)(=O)c1cccc(C#N)c1 ZINC000613390101 676127157 /nfs/dbraw/zinc/12/71/57/676127157.db2.gz WPLIHNZGJDUVPU-BEFAXECRSA-N 1 0 358.463 2.086 20 30 FEEDRO C[N@@H+](CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)C[C@H]1CC1(C)C ZINC000595910944 673337376 /nfs/dbraw/zinc/33/73/76/673337376.db2.gz UTJURRNTZBSBJD-CVEARBPZSA-N 1 0 360.527 2.435 20 30 FEEDRO C=CCCSCCNC(=O)C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000597277449 673462349 /nfs/dbraw/zinc/46/23/49/673462349.db2.gz AQFZSXMSQIWMML-KRWDZBQOSA-N 1 0 367.559 2.325 20 30 FEEDRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)c3ccccc3SCC#N)CC2)C1 ZINC000734454319 673463974 /nfs/dbraw/zinc/46/39/74/673463974.db2.gz WIRPOWHEHRALNK-MRXNPFEDSA-N 1 0 358.511 2.154 20 30 FEEDRO CS[C@H]1CN(C(=O)c2cc(F)c(C#N)c(F)c2)C[C@@H]1[NH+]1CCCC1 ZINC000597507688 673483278 /nfs/dbraw/zinc/48/32/78/673483278.db2.gz RSPADOGTUDGTQI-HOTGVXAUSA-N 1 0 351.422 2.488 20 30 FEEDRO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)COc1cccc(Br)c1C#N ZINC000597698662 673500483 /nfs/dbraw/zinc/50/04/83/673500483.db2.gz HDXXLRRCLNEKBX-SMDDNHRTSA-N 1 0 366.259 2.251 20 30 FEEDRO C=CCCOCCCCC(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000540515897 673544738 /nfs/dbraw/zinc/54/47/38/673544738.db2.gz IKVQORWBAVTNHP-MOPGFXCFSA-N 1 0 351.535 2.234 20 30 FEEDRO C[NH+]1CCC(C#N)(NC(=O)CCC(C)(C)NC(=O)OC(C)(C)C)CC1 ZINC000737841484 673583929 /nfs/dbraw/zinc/58/39/29/673583929.db2.gz NYYHBYWWDKTZJI-UHFFFAOYSA-N 1 0 352.479 2.174 20 30 FEEDRO CC(C)(C#N)C[C@@H](O)C[NH+]1CCC(C(=O)NCCc2cccs2)CC1 ZINC000598593572 673587609 /nfs/dbraw/zinc/58/76/09/673587609.db2.gz CGLSFHWYTXZFHT-MRXNPFEDSA-N 1 0 363.527 2.420 20 30 FEEDRO Cc1ccc([C@H]([NH2+]C[C@H](O)CC(C)(C)C#N)[C@H](C)S(C)(=O)=O)cc1 ZINC000598611343 673590040 /nfs/dbraw/zinc/59/00/40/673590040.db2.gz MRFLQGZAGPBHTC-USXIJHARSA-N 1 0 352.500 2.360 20 30 FEEDRO CC(C)(C#N)C[C@@H](O)C[NH2+]C[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000598700146 673599891 /nfs/dbraw/zinc/59/98/91/673599891.db2.gz LKQVNEBUPPPVBO-ZIAGYGMSSA-N 1 0 360.376 2.335 20 30 FEEDRO CC(C)[NH+]1CCN([C@H]2CCN(C(=O)c3ccc(Cl)c(C#N)c3)C2)CC1 ZINC000542762954 673603351 /nfs/dbraw/zinc/60/33/51/673603351.db2.gz MNQLXKZMWOSOMW-KRWDZBQOSA-N 1 0 360.889 2.452 20 30 FEEDRO N#Cc1cc(S(=O)(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)ccc1C(F)(F)F ZINC000598723805 673603478 /nfs/dbraw/zinc/60/34/78/673603478.db2.gz HSJHOMXNPCISSM-RISCZKNCSA-N 1 0 359.373 2.079 20 30 FEEDRO C[NH+](C)[C@]1(CNC(=O)N2CCc3c(CC#N)cccc3C2)CCSC1 ZINC000598995919 673627048 /nfs/dbraw/zinc/62/70/48/673627048.db2.gz JULXLXVENGUAQM-IBGZPJMESA-N 1 0 358.511 2.258 20 30 FEEDRO COc1cc(C#N)ccc1S(=O)(=O)N1CCCc2cccc(C[NH3+])c21 ZINC000599102690 673633478 /nfs/dbraw/zinc/63/34/78/673633478.db2.gz PBSHRCPCOUTVTC-UHFFFAOYSA-N 1 0 357.435 2.167 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)c2cc(Br)cn2CC)CC1 ZINC000740738419 673651912 /nfs/dbraw/zinc/65/19/12/673651912.db2.gz FDWQLMYUAQTIEW-UHFFFAOYSA-N 1 0 352.276 2.488 20 30 FEEDRO C[N@@H+](Cc1ccc([S@@](C)=O)cc1)C[C@@H](O)COc1ccccc1C#N ZINC000599309339 673656480 /nfs/dbraw/zinc/65/64/80/673656480.db2.gz WJOBWNJPGJBFCN-CRICUBBOSA-N 1 0 358.463 2.167 20 30 FEEDRO CCOC(=O)CC[C@@H]1CCC[N@H+](C[C@H](O)CC2(C#N)CCOCC2)C1 ZINC000599339001 673661108 /nfs/dbraw/zinc/66/11/08/673661108.db2.gz DMMXMRHDKNTEJB-DLBZAZTESA-N 1 0 352.475 2.113 20 30 FEEDRO CO[C@@]1(C(F)(F)F)CCC[N@H+](C[C@H](O)CC2(C#N)CCOCC2)C1 ZINC000599380856 673667045 /nfs/dbraw/zinc/66/70/45/673667045.db2.gz ZTKGSGUCCXXTQT-HIFRSBDPSA-N 1 0 350.381 2.101 20 30 FEEDRO CC[C@@](C)(C(=O)OC)[N@H+](C[C@@H](O)CC1(C#N)CCOCC1)CC1CC1 ZINC000599439918 673675799 /nfs/dbraw/zinc/67/57/99/673675799.db2.gz JHIUNJJHHRIXQF-WMZOPIPTSA-N 1 0 352.475 2.111 20 30 FEEDRO N#CC1(C[C@@H](O)C[NH2+]C[C@H](c2ccc(Cl)cc2)N2CCOCC2)CC1 ZINC000600721963 673794221 /nfs/dbraw/zinc/79/42/21/673794221.db2.gz OYGBNUXECQHYMQ-QZTJIDSGSA-N 1 0 363.889 2.358 20 30 FEEDRO C[C@]1(C[NH2+]C[C@H](O)COc2ccccc2C#N)OCCc2sccc21 ZINC000600739763 673795490 /nfs/dbraw/zinc/79/54/90/673795490.db2.gz FHHGBUFMBZCZLM-HNAYVOBHSA-N 1 0 358.463 2.437 20 30 FEEDRO CC(C)(C#N)C[C@H](O)C[NH2+]C[C@@H]1CN(c2ccc(Cl)cc2)CCO1 ZINC000600752216 673796522 /nfs/dbraw/zinc/79/65/22/673796522.db2.gz CKRIJRKYHVLQHC-DLBZAZTESA-N 1 0 351.878 2.436 20 30 FEEDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1S(=O)(=O)c1cccc(Br)c1C#N ZINC000601422770 673860134 /nfs/dbraw/zinc/86/01/34/673860134.db2.gz YNHWRLQVGRTGJK-MFKMUULPSA-N 1 0 372.288 2.034 20 30 FEEDRO CCC1([NH+]2CCCC2)CCN(C(=O)C(=O)Nc2sccc2C#N)CC1 ZINC000602058188 673901777 /nfs/dbraw/zinc/90/17/77/673901777.db2.gz NJYBFRVSGYSHGT-UHFFFAOYSA-N 1 0 360.483 2.425 20 30 FEEDRO COC[C@@](C)(CO)[NH2+]CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000602931711 673913917 /nfs/dbraw/zinc/91/39/17/673913917.db2.gz JRPYYVWHUVODFF-KZULUSFZSA-N 1 0 365.499 2.060 20 30 FEEDRO C[NH+](C)C1(CNc2ccc(C#N)cc2CS(N)(=O)=O)CCCCCC1 ZINC000603268207 673920108 /nfs/dbraw/zinc/92/01/08/673920108.db2.gz GMTLMTPLNJKWJK-UHFFFAOYSA-N 1 0 364.515 2.413 20 30 FEEDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)Nc1ccc(C#N)cc1CS(N)(=O)=O ZINC000603279554 673921324 /nfs/dbraw/zinc/92/13/24/673921324.db2.gz FOYSPVGKIPSMNP-KFWWJZLASA-N 1 0 364.515 2.125 20 30 FEEDRO C[C@@H](CC[NH+]1CCN(C)CC1)Nc1cc(C#N)c(Br)cn1 ZINC000603345231 673925545 /nfs/dbraw/zinc/92/55/45/673925545.db2.gz ZIYHOOITRKHMLW-LBPRGKRZSA-N 1 0 352.280 2.154 20 30 FEEDRO C[C@H]1COCC[N@@H+]1C1CCN(c2ncc(Br)cc2C#N)CC1 ZINC000603402205 673929641 /nfs/dbraw/zinc/92/96/41/673929641.db2.gz OTJLQOMLQNBDFE-LBPRGKRZSA-N 1 0 365.275 2.405 20 30 FEEDRO C[NH+]1CCC(C#N)(NC(=O)Cc2c(F)ccc(Br)c2F)CC1 ZINC000548827872 673999042 /nfs/dbraw/zinc/99/90/42/673999042.db2.gz CLKIKMRPXVEMJQ-UHFFFAOYSA-N 1 0 372.213 2.374 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCOC[C@@H]1[C@@H](C)NC(=O)OC(C)(C)C ZINC000818346304 675215628 /nfs/dbraw/zinc/21/56/28/675215628.db2.gz CGBFPMPRQFGNDD-JJTUDDRGSA-N 1 0 354.491 2.485 20 30 FEEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+]C[C@H](CO)CC2CCCC2)c1 ZINC000566915310 675252649 /nfs/dbraw/zinc/25/26/49/675252649.db2.gz HXPNPJHSLXKGLJ-QGZVFWFLSA-N 1 0 350.484 2.110 20 30 FEEDRO CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)C1 ZINC000819143510 675264304 /nfs/dbraw/zinc/26/43/04/675264304.db2.gz GPYZOPYKVCQDLS-LSDHHAIUSA-N 1 0 352.479 2.032 20 30 FEEDRO CC[N@@H+]1CC[C@@H](CNC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)C1 ZINC000819143508 675264372 /nfs/dbraw/zinc/26/43/72/675264372.db2.gz GPYZOPYKVCQDLS-GJZGRUSLSA-N 1 0 352.479 2.032 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H]2CC[C@@H]3SCCS[C@@H]23)cc1 ZINC000819198905 675269207 /nfs/dbraw/zinc/26/92/07/675269207.db2.gz VOMXNDVIHNDOJC-PMPSAXMXSA-N 1 0 368.549 2.301 20 30 FEEDRO Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+]C[C@@H](O)c2ccc(C#N)cc2)cc1 ZINC000819241845 675273440 /nfs/dbraw/zinc/27/34/40/675273440.db2.gz XQMBAEPHAOVEEP-HNAYVOBHSA-N 1 0 358.463 2.352 20 30 FEEDRO C#CC[C@H](Cc1ccccc1)[NH2+]C[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000819304349 675279011 /nfs/dbraw/zinc/27/90/11/675279011.db2.gz FPORQJNPGFELPR-UYAOXDASSA-N 1 0 357.475 2.348 20 30 FEEDRO C[C@@H]1C[C@@H](NC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000819314265 675280360 /nfs/dbraw/zinc/28/03/60/675280360.db2.gz WGNBEOFYNLCFAT-QLFBSQMISA-N 1 0 352.479 2.172 20 30 FEEDRO C#CCNC(=O)CC[NH2+]C[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1 ZINC000819318255 675281082 /nfs/dbraw/zinc/28/10/82/675281082.db2.gz ZAUFAWVLOSNLRR-WKILWMFISA-N 1 0 351.491 2.047 20 30 FEEDRO C[NH+]1CCN(C[C@H](NC(=O)C#Cc2cccs2)c2ccccc2)CC1 ZINC000825664445 675662532 /nfs/dbraw/zinc/66/25/32/675662532.db2.gz FXWMIDGNCBIDOK-IBGZPJMESA-N 1 0 353.491 2.205 20 30 FEEDRO COc1cc(C#N)ccc1S(=O)(=O)N(C)CCCC[NH+]1CCCCC1 ZINC000603417361 675798776 /nfs/dbraw/zinc/79/87/76/675798776.db2.gz HOHAFLCVXOVJCQ-UHFFFAOYSA-N 1 0 365.499 2.453 20 30 FEEDRO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000603909466 675802031 /nfs/dbraw/zinc/80/20/31/675802031.db2.gz AMWVTMJLUKDUMX-MELADBBJSA-N 1 0 358.511 2.367 20 30 FEEDRO CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)c1ccccc1SCC#N ZINC000829287756 675874352 /nfs/dbraw/zinc/87/43/52/675874352.db2.gz VRVAGZHLOZPMRF-UHFFFAOYSA-N 1 0 359.495 2.487 20 30 FEEDRO C#CC[C@@H]1CCC[N@@H+](CCOc2ccc(S(=O)(=O)N(C)C)cc2)C1 ZINC000829769398 675890098 /nfs/dbraw/zinc/89/00/98/675890098.db2.gz USZBWNVFOVGSNM-MRXNPFEDSA-N 1 0 350.484 2.051 20 30 FEEDRO C#CC[C@H]1CCC[N@@H+](CC(=O)NCC(=O)Nc2cccc(Cl)c2C)C1 ZINC000829794402 675891426 /nfs/dbraw/zinc/89/14/26/675891426.db2.gz XHRLOQNINBPZSO-HNNXBMFYSA-N 1 0 361.873 2.438 20 30 FEEDRO CCN(CCC#N)S(=O)(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000619714086 676391953 /nfs/dbraw/zinc/39/19/53/676391953.db2.gz PHKQSAJKWDHDBF-SFHVURJKSA-N 1 0 364.515 2.284 20 30 FEEDRO C=CCC1([NH2+]CC(=O)Nc2cccc(S(N)(=O)=O)c2)CCCCC1 ZINC000625937393 676678957 /nfs/dbraw/zinc/67/89/57/676678957.db2.gz XUDGKBOBCVMABP-UHFFFAOYSA-N 1 0 351.472 2.141 20 30 FEEDRO C=CCc1ccc(OC[C@H](O)CN2CCO[C@H](CCF)C2)c(OC)c1 ZINC000625999864 676682914 /nfs/dbraw/zinc/68/29/14/676682914.db2.gz DYAUHVMRULMKCD-IAGOWNOFSA-N 1 0 353.434 2.224 20 30 FEEDRO C=CCNS(=O)(=O)c1ccccc1N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000641460831 677206845 /nfs/dbraw/zinc/20/68/45/677206845.db2.gz DIFVOJWQKQPRCY-KRWDZBQOSA-N 1 0 363.527 2.319 20 30 FEEDRO O[C@@H](C[NH2+]CC#Cc1cccc(C(F)(F)F)c1)COC1CCOCC1 ZINC000644515379 677245003 /nfs/dbraw/zinc/24/50/03/677245003.db2.gz RSJOKGKJWHWLLN-INIZCTEOSA-N 1 0 357.372 2.203 20 30 FEEDRO N#C[C@@H](c1ccc(Br)cc1)N1CC[NH+](C[C@H](O)C2CC2)CC1 ZINC000838908558 680727189 /nfs/dbraw/zinc/72/71/89/680727189.db2.gz GGUDRIVCKGLRMJ-IRXDYDNUSA-N 1 0 364.287 2.402 20 30 FEEDRO C=CCNC(=O)c1cccc(S(=O)(=O)NC(C)(C)C[N@@H+](C)CCC)c1 ZINC000660107626 678283648 /nfs/dbraw/zinc/28/36/48/678283648.db2.gz QBEMAOZTWSOEAM-UHFFFAOYSA-N 1 0 367.515 2.001 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)NCC2(CC(=O)NC)CCCCC2)CC1 ZINC000660705931 678376424 /nfs/dbraw/zinc/37/64/24/678376424.db2.gz XUTKCIMWFRAEBK-UHFFFAOYSA-N 1 0 350.507 2.023 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CCC[C@@](CO)(OC)C1 ZINC000661392679 678475501 /nfs/dbraw/zinc/47/55/01/678475501.db2.gz XLHJTXUMZONNAL-CRAIPNDOSA-N 1 0 352.500 2.125 20 30 FEEDRO C=CC[N@H+](CC(=O)NCC1(N2CCOCC2)CCCCC1)C(C)(C)C ZINC000661755627 678530101 /nfs/dbraw/zinc/53/01/01/678530101.db2.gz OAZNLAJYNWMXTE-UHFFFAOYSA-N 1 0 351.535 2.424 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)c2sc3c(c2Br)CNC3)CC1 ZINC000662449328 678622368 /nfs/dbraw/zinc/62/23/68/678622368.db2.gz XXBGMTDCIGNKHZ-UHFFFAOYSA-N 1 0 370.316 2.494 20 30 FEEDRO C=C(C[NH+](C)C)C(=O)N[C@@H](C)c1ccc(S(=O)(=O)N(CC)CC)cc1 ZINC000763945418 680796213 /nfs/dbraw/zinc/79/62/13/680796213.db2.gz RZYDFIMZVUKFMR-HNNXBMFYSA-N 1 0 367.515 2.012 20 30 FEEDRO C=CC[C@@]1(C(=O)N[C@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)CCC[NH2+]1 ZINC000662801316 678663019 /nfs/dbraw/zinc/66/30/19/678663019.db2.gz RXVQJFSNKVHZDB-YJBOKZPZSA-N 1 0 365.836 2.399 20 30 FEEDRO C=CC[C@]1(C(=O)N[C@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)CCC[NH2+]1 ZINC000662801311 678663146 /nfs/dbraw/zinc/66/31/46/678663146.db2.gz RXVQJFSNKVHZDB-MAUKXSAKSA-N 1 0 365.836 2.399 20 30 FEEDRO CN([C@H](C[NH3+])C(F)(F)F)S(=O)(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000663310456 678721807 /nfs/dbraw/zinc/72/18/07/678721807.db2.gz GVXYOOUBCIBNKR-SECBINFHSA-N 1 0 368.274 2.355 20 30 FEEDRO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000663488333 678746609 /nfs/dbraw/zinc/74/66/09/678746609.db2.gz SNPSAUPFTZGXSB-UHFFFAOYSA-N 1 0 356.344 2.085 20 30 FEEDRO C=CC[C@H]1CCCC[C@H]1NC(=O)N1CCN(CCOCCOC)CC1 ZINC000665384917 678956917 /nfs/dbraw/zinc/95/69/17/678956917.db2.gz RGTXAPPAHCBTFY-ZWKOTPCHSA-N 1 0 353.507 2.112 20 30 FEEDRO COC[C@@H]1CCC[N@@H+]1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000674500002 679492129 /nfs/dbraw/zinc/49/21/29/679492129.db2.gz LMLYKFLSKTUFKM-INIZCTEOSA-N 1 0 354.372 2.284 20 30 FEEDRO CC(C)N(C)C(=O)c1ccc(Cl)c(NC(=O)N[C@H]2C[NH2+]C[C@H]2C#N)c1 ZINC000841109796 680863838 /nfs/dbraw/zinc/86/38/38/680863838.db2.gz OYYQKQAFAFGSMC-DOMZBBRYSA-N 1 0 363.849 2.053 20 30 FEEDRO CC(C)N(C)C(=O)c1ccc(Cl)c(NC(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)c1 ZINC000841109800 680863892 /nfs/dbraw/zinc/86/38/92/680863892.db2.gz OYYQKQAFAFGSMC-IUODEOHRSA-N 1 0 363.849 2.053 20 30 FEEDRO C#CCNC(=O)C1CC[NH+](C[C@@H](O)c2ccccc2C(F)(F)F)CC1 ZINC000747816703 679904732 /nfs/dbraw/zinc/90/47/32/679904732.db2.gz RDZAIXVPGWLDLB-MRXNPFEDSA-N 1 0 354.372 2.200 20 30 FEEDRO C#CCNC(=O)C1CC[NH+](CCC(=O)Nc2ccccc2SC)CC1 ZINC000747818386 679905309 /nfs/dbraw/zinc/90/53/09/679905309.db2.gz OMXYRPYHBCQJHZ-UHFFFAOYSA-N 1 0 359.495 2.199 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N[C@H](C)[C@@H](O)c2c(F)cccc2Cl)CC1 ZINC000748001957 679919650 /nfs/dbraw/zinc/91/96/50/679919650.db2.gz UKXILNVYKYNMKL-SJKOYZFVSA-N 1 0 352.837 2.362 20 30 FEEDRO C=C(Br)CN1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C(C)(C)C1 ZINC000974606478 679963492 /nfs/dbraw/zinc/96/34/92/679963492.db2.gz PUGQHZQUEXHNTD-MCIONIFRSA-N 1 0 358.324 2.062 20 30 FEEDRO CC[N@@H+]1CCC[C@H]1CNC(=S)N1CCN(c2ccccc2C#N)CC1 ZINC000751015048 680148023 /nfs/dbraw/zinc/14/80/23/680148023.db2.gz QYOZXLPBNBMISD-KRWDZBQOSA-N 1 0 357.527 2.039 20 30 FEEDRO C=CCn1c(CC[NH+]2CCCCC2)nn(CN2CC[C@@H](OC)C2)c1=S ZINC000751939165 680210707 /nfs/dbraw/zinc/21/07/07/680210707.db2.gz JCCCBXBLCHNDTF-MRXNPFEDSA-N 1 0 365.547 2.307 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[N@@H+](C[C@@H](OC)C2CCC2)CC1 ZINC000981189964 680219562 /nfs/dbraw/zinc/21/95/62/680219562.db2.gz IONGTOWIGVLIIV-CEXWTWQISA-N 1 0 350.503 2.317 20 30 FEEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)CCc1cc(Cl)ccc1Br ZINC000834479917 680233071 /nfs/dbraw/zinc/23/30/71/680233071.db2.gz JKQQGGFIHHYQLG-ZWNOBZJWSA-N 1 0 356.651 2.263 20 30 FEEDRO C#CCNC(=O)C1CC[NH+](Cc2ccc(SC(=O)N(C)C)cc2)CC1 ZINC000752283059 680234002 /nfs/dbraw/zinc/23/40/02/680234002.db2.gz QKXMUZMULHZJAA-UHFFFAOYSA-N 1 0 359.495 2.422 20 30 FEEDRO CCCOc1ccc(-c2nc(C(=O)N[C@@H]3C[NH2+]C[C@@H]3C#N)cs2)cc1 ZINC000834493710 680234869 /nfs/dbraw/zinc/23/48/69/680234869.db2.gz GSIVGTJKLZTBIW-DZGCQCFKSA-N 1 0 356.451 2.440 20 30 FEEDRO C#CC[N@H+]1CCCC2(CN(C(=O)CC[C@@H]3CC[C@H](C(F)(F)F)O3)C2)C1 ZINC000981823982 680254022 /nfs/dbraw/zinc/25/40/22/680254022.db2.gz IPFSCZHGSXCDED-LSDHHAIUSA-N 1 0 358.404 2.434 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](CCC2CCOCC2)C1 ZINC001023599815 680265169 /nfs/dbraw/zinc/26/51/69/680265169.db2.gz VTKITSIKRMOQQM-OTWHNJEPSA-N 1 0 350.503 2.222 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC2(C1)CCC[N@@H+]([C@@H](C)COC)C2 ZINC000982061405 680265669 /nfs/dbraw/zinc/26/56/69/680265669.db2.gz TXKUMHDVIPZDSP-BZSNNMDCSA-N 1 0 350.503 2.317 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@]2(C)C[N@@H+](C[C@@H](C)OC)C[C@]2(C)C1 ZINC000982282283 680274601 /nfs/dbraw/zinc/27/46/01/680274601.db2.gz VJZVENWQQGIZOT-VROUVPMXSA-N 1 0 350.503 2.173 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]([NH2+]Cc2snnc2C)C(C)(C)C1 ZINC000995831735 680305558 /nfs/dbraw/zinc/30/55/58/680305558.db2.gz LBLRMEPQVWKTRX-YCPHGPKFSA-N 1 0 364.515 2.154 20 30 FEEDRO C[C@H]1CC(N=Nc2ccc(S(=O)(=O)NC(C)(C)C)cn2)C[N@@H+]1C1CC1 ZINC000753955077 680326297 /nfs/dbraw/zinc/32/62/97/680326297.db2.gz KQZKGGPAANVRAS-LBPRGKRZSA-N 1 0 365.503 2.183 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([NH2+]CCC2CCOCC2)CC1 ZINC000996601633 680336561 /nfs/dbraw/zinc/33/65/61/680336561.db2.gz UHSFHPIPZHABHC-MOPGFXCFSA-N 1 0 350.503 2.365 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([NH2+]C[C@@H](O)C2CCCCC2)CC1 ZINC000997013074 680345465 /nfs/dbraw/zinc/34/54/65/680345465.db2.gz YNCYQJFMIIWMQW-QRVBRYPASA-N 1 0 350.503 2.099 20 30 FEEDRO C=C(Br)C[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2c2cnn(C)c2)CC1 ZINC000997025702 680346098 /nfs/dbraw/zinc/34/60/98/680346098.db2.gz JVGMRUYTSOJBAY-LSDHHAIUSA-N 1 0 367.291 2.013 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC([NH2+][C@H](C)c2nnc(C)s2)CC1 ZINC000997080199 680346879 /nfs/dbraw/zinc/34/68/79/680346879.db2.gz MUMVIKKCYNFUHB-KCXAZCMYSA-N 1 0 364.515 2.469 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC([NH2+][C@@H](C)c2nnc(C)s2)CC1 ZINC000997080202 680346916 /nfs/dbraw/zinc/34/69/16/680346916.db2.gz MUMVIKKCYNFUHB-RCBQFDQVSA-N 1 0 364.515 2.469 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CCC([NH2+]Cc2nncs2)CC1 ZINC001026575479 680347711 /nfs/dbraw/zinc/34/77/11/680347711.db2.gz UUISEWAZCMULQZ-UJJWPFCGSA-N 1 0 350.488 2.036 20 30 FEEDRO C=C(Cl)CN1CCC[C@@H]1CNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001027888669 680362019 /nfs/dbraw/zinc/36/20/19/680362019.db2.gz WUHPPJOYGHUMMV-KURKYZTESA-N 1 0 369.937 2.066 20 30 FEEDRO C=C(Cl)C(C)(C)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](C)CC1)C2 ZINC000997885355 680369325 /nfs/dbraw/zinc/36/93/25/680369325.db2.gz GLFOUQXROQPOEI-PMPSAXMXSA-N 1 0 367.921 2.355 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+]1CCC1CCOCC1 ZINC001028195804 680372464 /nfs/dbraw/zinc/37/24/64/680372464.db2.gz WMQMSSJGKNINDB-QYZOEREBSA-N 1 0 350.503 2.365 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](Cc2ccc(F)cc2F)C1 ZINC001028809610 680383010 /nfs/dbraw/zinc/38/30/10/680383010.db2.gz LJDSKSZWJHUBGO-QBIMZIAESA-N 1 0 350.409 2.494 20 30 FEEDRO C=C(Cl)C[NH2+]C1CC(N(C)C(=O)[C@@H]2CCCO[C@H]2c2nccn2C)C1 ZINC000998926947 680391683 /nfs/dbraw/zinc/39/16/83/680391683.db2.gz ZPSVMEZYEDHQCO-QDIHITRGSA-N 1 0 366.893 2.219 20 30 FEEDRO C=C(Br)C[NH2+]C1CC(N(C)C(=O)[C@@H]2C[C@H]2c2cnn(C)c2)C1 ZINC000999442749 680403689 /nfs/dbraw/zinc/40/36/89/680403689.db2.gz MDEFECGEXLZXPB-PFSRBDOWSA-N 1 0 367.291 2.011 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)NCC1C[NH+](C[C@@H](OC)C2CCCC2)C1 ZINC001031680861 680406054 /nfs/dbraw/zinc/40/60/54/680406054.db2.gz UIBMFQPEOFUCRX-CEXWTWQISA-N 1 0 350.503 2.221 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N(CC)[C@@H]1CC[N@H+](CCOC2CCC2)C1 ZINC001033836754 680426038 /nfs/dbraw/zinc/42/60/38/680426038.db2.gz JJRCIJUXNABYAZ-QRQLOZEOSA-N 1 0 350.503 2.460 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]C[C@@H]2CCOC2)CC1 ZINC001034753915 680440235 /nfs/dbraw/zinc/44/02/35/680440235.db2.gz ZLWBSZSNDQCELF-VMXHOPILSA-N 1 0 350.503 2.411 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([C@H]2CC[N@@H+](CCOC)C2)CC1 ZINC001039131847 680462179 /nfs/dbraw/zinc/46/21/79/680462179.db2.gz XLMDDMWPOOXBBY-OTWHNJEPSA-N 1 0 350.503 2.175 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)NCC1CC[NH+](CCc2scnc2C)CC1 ZINC001001851984 680478384 /nfs/dbraw/zinc/47/83/84/680478384.db2.gz PFUHYNPQOIONOX-SJORKVTESA-N 1 0 363.527 2.413 20 30 FEEDRO C#CC[N@H+]1CCC[C@@H]1COC(=O)c1ccc(Cl)c(N2CCNC2=O)c1 ZINC000756541596 680484001 /nfs/dbraw/zinc/48/40/01/680484001.db2.gz JKOHVGQZGYWSEL-CQSZACIVSA-N 1 0 361.829 2.124 20 30 FEEDRO C#CC[N@H+]1CCC[C@H]1COC(=O)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000756545457 680484221 /nfs/dbraw/zinc/48/42/21/680484221.db2.gz YBUVVCCLMVVTGK-CABCVRRESA-N 1 0 360.841 2.334 20 30 FEEDRO Cc1nc[nH]c1CC(=O)N1C[C@@H](C)[C@H](Nc2nc(Cl)c(C#N)s2)C1 ZINC001043274494 680571279 /nfs/dbraw/zinc/57/12/79/680571279.db2.gz NUYBLDJAEALMJY-LDYMZIIASA-N 1 0 364.862 2.201 20 30 FEEDRO C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1Nc1nc(Cl)c(C#N)s1 ZINC001043353496 680576754 /nfs/dbraw/zinc/57/67/54/680576754.db2.gz ANQANDQCGVDBHN-GHMZBOCLSA-N 1 0 367.906 2.411 20 30 FEEDRO C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1Nc1nc(C#N)c(Cl)s1 ZINC001043451531 680582631 /nfs/dbraw/zinc/58/26/31/680582631.db2.gz QBEALHBCZNUSAT-RTXFEEFZSA-N 1 0 367.906 2.411 20 30 FEEDRO C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1Nc1snc(Cl)c1C#N ZINC001043561470 680587688 /nfs/dbraw/zinc/58/76/88/680587688.db2.gz CBMNRQJVFGRWSY-PRULPYPASA-N 1 0 367.906 2.267 20 30 FEEDRO C=C(Br)CN1CCC[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001007368813 680637575 /nfs/dbraw/zinc/63/75/75/680637575.db2.gz KZBORWFDAOQBOU-QLFBSQMISA-N 1 0 358.324 2.206 20 30 FEEDRO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCN(Cc3ccc(C#N)s3)C2)CC[N@@H+]1C ZINC001007368945 680637504 /nfs/dbraw/zinc/63/75/04/680637504.db2.gz MSZPGBMDWSCZAT-FHLIZLRMSA-N 1 0 360.527 2.431 20 30 FEEDRO C#CCOc1cc(F)ccc1NC(=O)N1C[C@@H]([NH+](C)C)[C@@H](SC)C1 ZINC000759987162 680673915 /nfs/dbraw/zinc/67/39/15/680673915.db2.gz ULIJKJGKYXJOGV-ZBFHGGJFSA-N 1 0 351.447 2.347 20 30 FEEDRO CCOC(=O)c1c2ccccc2sc1NC(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000841159983 680866673 /nfs/dbraw/zinc/86/66/73/680866673.db2.gz OPFVWKCDZVQSHG-PWSUYJOCSA-N 1 0 358.423 2.311 20 30 FEEDRO CCc1c(NC(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)cnn1-c1cccc(Cl)c1 ZINC000841214624 680869372 /nfs/dbraw/zinc/86/93/72/680869372.db2.gz PCTMYRCKSQETKU-SMDDNHRTSA-N 1 0 358.833 2.321 20 30 FEEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)Nc1cc(F)c(Br)c(Cl)c1 ZINC000841238999 680870541 /nfs/dbraw/zinc/87/05/41/680870541.db2.gz ZYLCRFROGVONEB-LHLIQPBNSA-N 1 0 361.602 2.475 20 30 FEEDRO C[NH+](C)CCCNC(=S)NN=Cc1ccc(F)cc1Br ZINC000767781064 680926134 /nfs/dbraw/zinc/92/61/34/680926134.db2.gz GCBAHFXERYYBHI-UHFFFAOYSA-N 1 0 361.284 2.338 20 30 FEEDRO CCCC[C@H](ON=C(C)C)C(=O)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000767798310 680926997 /nfs/dbraw/zinc/92/69/97/680926997.db2.gz OKFFWGWVRSHWSI-SFHVURJKSA-N 1 0 352.523 2.198 20 30 FEEDRO C[C@@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)[C@H](O)c1ccc(F)cc1 ZINC000843073452 680986106 /nfs/dbraw/zinc/98/61/06/680986106.db2.gz IESWTGCBUKVBBF-ACJLOTCBSA-N 1 0 362.426 2.183 20 30 FEEDRO C[C@@H](C[C@H](O)c1ccccc1)[NH2+]CCS(=O)(=O)c1cccc(C#N)c1 ZINC000843090250 680987081 /nfs/dbraw/zinc/98/70/81/680987081.db2.gz VPBBKWQNGDYQDY-KXBFYZLASA-N 1 0 358.463 2.434 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC2(C1)CC[NH+](C[C@@H](C)OC)CC2 ZINC001050693587 681054189 /nfs/dbraw/zinc/05/41/89/681054189.db2.gz JKNHBMBMZZHAQF-SQNIBIBYSA-N 1 0 350.503 2.317 20 30 FEEDRO C#CCN1C(=O)/C(=C/c2ccc(N3CC[NH+](C)CC3)cc2)SC1=S ZINC000771515270 681057971 /nfs/dbraw/zinc/05/79/71/681057971.db2.gz ZQEIMIKOKZPCBC-SSZFMOIBSA-N 1 0 357.504 2.273 20 30 FEEDRO C[C@@H]1[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)CCN1c1nc(C#N)c(Cl)s1 ZINC001051014867 681059821 /nfs/dbraw/zinc/05/98/21/681059821.db2.gz FBOSJKWLQZUQHS-TUAOUCFPSA-N 1 0 367.906 2.093 20 30 FEEDRO C[C@@H]1[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)CCN1c1ncc(C#N)cc1Cl ZINC001051014744 681059925 /nfs/dbraw/zinc/05/99/25/681059925.db2.gz CNCBXNAEWHDUNS-ZENOOKHLSA-N 1 0 361.877 2.032 20 30 FEEDRO CC(=NNC(=S)NCCC[NH+](C)C)c1ccc(O)c(Br)c1 ZINC000844581877 681066994 /nfs/dbraw/zinc/06/69/94/681066994.db2.gz WXUWHMIHTTUBMX-UHFFFAOYSA-N 1 0 373.320 2.295 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@@H](C[NH2+]CC2CCCCCC2)C1 ZINC001051834510 681069643 /nfs/dbraw/zinc/06/96/43/681069643.db2.gz OWOQECDISBSMEH-OTWHNJEPSA-N 1 0 350.503 2.365 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)OCC(=O)N[C@@H](C)c2ccccc2Cl)CC1 ZINC000772115023 681086487 /nfs/dbraw/zinc/08/64/87/681086487.db2.gz UQKYUGMKDWIGQM-AWEZNQCLSA-N 1 0 362.857 2.406 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)O[C@@H](C)C(=O)NCc2ccc(Cl)cc2)CC1 ZINC000772124481 681086838 /nfs/dbraw/zinc/08/68/38/681086838.db2.gz ZDTDRGRJWVFBCH-AWEZNQCLSA-N 1 0 362.857 2.233 20 30 FEEDRO C=CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H]1CCCO[C@H]1C(C)C)O2 ZINC001053603635 681101063 /nfs/dbraw/zinc/10/10/63/681101063.db2.gz SGJHYLMYUCCTPA-SQNIBIBYSA-N 1 0 350.503 2.363 20 30 FEEDRO C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1CNc1nc(Cl)c(C#N)s1 ZINC001054410203 681107553 /nfs/dbraw/zinc/10/75/53/681107553.db2.gz SNIHBKCMLXSJEM-VXGBXAGGSA-N 1 0 367.906 2.270 20 30 FEEDRO C#C[C@H](NC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1)[C@@H]1CCCO1 ZINC000773259386 681133348 /nfs/dbraw/zinc/13/33/48/681133348.db2.gz MAWYZXKQBGYANA-NJAFHUGGSA-N 1 0 361.511 2.440 20 30 FEEDRO C#C[C@H](NC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1)[C@H]1CCCO1 ZINC000773259383 681133373 /nfs/dbraw/zinc/13/33/73/681133373.db2.gz MAWYZXKQBGYANA-BPQIPLTHSA-N 1 0 361.511 2.440 20 30 FEEDRO C[C@@H]1[C@H](C(=O)N2CCC[C@@H](Nc3nc(Cl)c(C#N)s3)C2)CC[N@@H+]1C ZINC001057770993 681164182 /nfs/dbraw/zinc/16/41/82/681164182.db2.gz QWGWNEOEVSDEJI-IJLUTSLNSA-N 1 0 367.906 2.411 20 30 FEEDRO CC(=[NH+]NCC(C)(C)S(C)(=O)=O)c1ccc(N2CCCC2)cc1O ZINC000774483345 681193993 /nfs/dbraw/zinc/19/39/93/681193993.db2.gz JXYLVSMZZTXYAJ-UHFFFAOYSA-N 1 0 353.488 2.129 20 30 FEEDRO C#CC[C@H]1CCCN(C(=O)[C@H](CC[NH+](C)C)NC(=O)OC(C)(C)C)C1 ZINC000846278421 681217844 /nfs/dbraw/zinc/21/78/44/681217844.db2.gz PLBKLFWMGULSBW-HOTGVXAUSA-N 1 0 351.491 2.093 20 30 FEEDRO COC(=O)/C=C1\SCC(=O)N1CCC[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000775155495 681278624 /nfs/dbraw/zinc/27/86/24/681278624.db2.gz LLEDMRKVPJSLOP-NWRYFCBHSA-N 1 0 359.451 2.189 20 30 FEEDRO C[N@@H+]1C[C@@H](CNC(=O)N[C@H](CC#N)C(F)(F)F)[C@H](c2ccccc2)C1 ZINC000932887527 681322963 /nfs/dbraw/zinc/32/29/63/681322963.db2.gz PGHPBGKTBOJDRS-QLFBSQMISA-N 1 0 354.376 2.476 20 30 FEEDRO CNC(=O)CC[NH+]1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932943212 681332073 /nfs/dbraw/zinc/33/20/73/681332073.db2.gz JGXDOTBNIXEDCZ-BQBZGAKWSA-N 1 0 354.241 2.225 20 30 FEEDRO C[N@@H+]1CCCN(C(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)CC1 ZINC000847284750 681358727 /nfs/dbraw/zinc/35/87/27/681358727.db2.gz PYVDABKTEYKFEA-OAHLLOKOSA-N 1 0 352.479 2.128 20 30 FEEDRO C[NH+]1CCC(NC(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)CC1 ZINC000847297433 681360264 /nfs/dbraw/zinc/36/02/64/681360264.db2.gz IGJLOUXGQFLNCL-HNNXBMFYSA-N 1 0 352.479 2.174 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)Nc2ccc(S(C)(=O)=O)c(C(F)F)c2)CC1 ZINC000776222366 681373968 /nfs/dbraw/zinc/37/39/68/681373968.db2.gz DSGDYSKWJSHZGE-UHFFFAOYSA-N 1 0 370.421 2.311 20 30 FEEDRO CCCCCC[C@](O)(C[NH+]1CCC2(CC1)CC(=O)C=CO2)C(=O)OC ZINC000933645364 681445217 /nfs/dbraw/zinc/44/52/17/681445217.db2.gz MWWSPWIISFQJBN-IBGZPJMESA-N 1 0 353.459 2.199 20 30 FEEDRO C[N@H+](Cc1cc(C#N)cs1)C[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 ZINC000933771815 681466590 /nfs/dbraw/zinc/46/65/90/681466590.db2.gz UPKRYFTWDNCVOR-QGZVFWFLSA-N 1 0 351.472 2.423 20 30 FEEDRO CC[N@H+](CCC(=O)NC)CC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000933862913 681475772 /nfs/dbraw/zinc/47/57/72/681475772.db2.gz FMLVBFJDRVMFGU-CQSZACIVSA-N 1 0 362.499 2.477 20 30 FEEDRO CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000934192822 681523129 /nfs/dbraw/zinc/52/31/29/681523129.db2.gz BYVBVXIRTCKSCJ-IAGOWNOFSA-N 1 0 362.495 2.086 20 30 FEEDRO CN(C)S(=O)(=O)c1ccc(N=NC2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000848410483 681536402 /nfs/dbraw/zinc/53/64/02/681536402.db2.gz POBSCAZXWUPKCU-QGZVFWFLSA-N 1 0 350.488 2.353 20 30 FEEDRO C=C(Cl)C[N@H+]1CCC[C@H](N(C)C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)CC1 ZINC000948638470 681591541 /nfs/dbraw/zinc/59/15/41/681591541.db2.gz AZWOZKFJDUURHR-LUKYLMHMSA-N 1 0 356.894 2.103 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H]1CCC[N@H+](Cc2snnc2C)CC1 ZINC000948785501 681597851 /nfs/dbraw/zinc/59/78/51/681597851.db2.gz LIKBJXORDNYBPZ-OAGGEKHMSA-N 1 0 364.515 2.251 20 30 FEEDRO CSCC(C)(C)[NH2+]CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 ZINC000934668766 681609390 /nfs/dbraw/zinc/60/93/90/681609390.db2.gz YHHNKZMRLOQNDA-CQSZACIVSA-N 1 0 366.556 2.188 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CCOC2(CC[NH+](C[C@H](C)CC)CC2)C1 ZINC000949193849 681623307 /nfs/dbraw/zinc/62/33/07/681623307.db2.gz BZBJJXYTDVWLAJ-KURKYZTESA-N 1 0 350.503 2.317 20 30 FEEDRO CS(=O)(=O)CC1(CO[NH+]=C(N)c2ccc(N3CCCCC3)cc2)CC1 ZINC000778598066 681627965 /nfs/dbraw/zinc/62/79/65/681627965.db2.gz QHWOYFYRNZMLPA-UHFFFAOYSA-N 1 0 365.499 2.139 20 30 FEEDRO CC(C)(C)OC(=O)N1CCN2C(NCC3CCSCC3)=[NH+]C[C@@H]2C1 ZINC000849087115 681651374 /nfs/dbraw/zinc/65/13/74/681651374.db2.gz YQHBZULXEYEBPJ-CQSZACIVSA-N 1 0 354.520 2.010 20 30 FEEDRO CC(C)(C)OC(=O)N1CCN2C(NCC3CCSCC3)=[NH+]C[C@H]2C1 ZINC000849087114 681651384 /nfs/dbraw/zinc/65/13/84/681651384.db2.gz YQHBZULXEYEBPJ-AWEZNQCLSA-N 1 0 354.520 2.010 20 30 FEEDRO CCNC(NC[C@H](CO)Cc1ccc(C)c(Br)c1)=[NH+]CC ZINC000849110456 681654928 /nfs/dbraw/zinc/65/49/28/681654928.db2.gz YOLDTIQPMWBIRT-CQSZACIVSA-N 1 0 356.308 2.484 20 30 FEEDRO C=CC1(CC(=O)NC2(C[NH+](C)C)CCC2)CN(C(=O)OC(C)(C)C)C1 ZINC000935798648 681824843 /nfs/dbraw/zinc/82/48/43/681824843.db2.gz BBBXCEVUHVTATK-UHFFFAOYSA-N 1 0 351.491 2.400 20 30 FEEDRO CC(C)(C#N)CS(=O)(=O)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC000913938851 685489533 /nfs/dbraw/zinc/48/95/33/685489533.db2.gz JJVGSWKSFXDPTK-UHFFFAOYSA-N 1 0 361.511 2.389 20 30 FEEDRO CN(C)[C@@H](CNS(=O)(=O)Cc1csc(C#N)c1)c1cccc(F)c1 ZINC000913850714 685486602 /nfs/dbraw/zinc/48/66/02/685486602.db2.gz PPIMSARNQYXGMO-INIZCTEOSA-N 1 0 367.471 2.481 20 30 FEEDRO C=C(Cl)C[NH+]1CCC2(CCN(C(=O)[C@H]3C[C@@H](C)CC(=O)N3)CC2)CC1 ZINC000957549884 681907360 /nfs/dbraw/zinc/90/73/60/681907360.db2.gz ANTQGAGQZNABLS-GDBMZVCRSA-N 1 0 367.921 2.358 20 30 FEEDRO CN(CCC#N)C(=O)CC[NH+]1CCC(C)(NC(=O)OC(C)(C)C)CC1 ZINC000781980218 681994531 /nfs/dbraw/zinc/99/45/31/681994531.db2.gz ZGDWIPPAQQRNGQ-UHFFFAOYSA-N 1 0 352.479 2.128 20 30 FEEDRO C#CCN(C(=O)NCc1noc(-c2cccs2)n1)C1CC[NH+](C)CC1 ZINC000915210266 685513147 /nfs/dbraw/zinc/51/31/47/685513147.db2.gz AIDKLGACJXHNFM-UHFFFAOYSA-N 1 0 359.455 2.037 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([C@@H]2CCC[N@@H+](CCOC)C2)CC1 ZINC000961411753 682092559 /nfs/dbraw/zinc/09/25/59/682092559.db2.gz NWHPPIUHHZJECZ-QRVBRYPASA-N 1 0 350.503 2.175 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@H]21 ZINC000962019310 682106953 /nfs/dbraw/zinc/10/69/53/682106953.db2.gz UHUCCNFWBITOIX-AVEIZBFRSA-N 1 0 357.479 2.147 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)NC1CC(C[NH2+]Cc2nc(C(C)C)ns2)C1 ZINC000962328160 682116490 /nfs/dbraw/zinc/11/64/90/682116490.db2.gz JRDVPJIBASAKSM-CVSAEHQPSA-N 1 0 364.515 2.237 20 30 FEEDRO C[C@H]1CN(S(=O)(=O)Cc2csc(C#N)c2)CC[N@@H+](C2CCC2)C1 ZINC000915841922 685518827 /nfs/dbraw/zinc/51/88/27/685518827.db2.gz AODYAJJRBOKSCB-CYBMUJFWSA-N 1 0 353.513 2.256 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1CCC([NH2+]Cc2nncs2)CC1 ZINC000963338219 682138247 /nfs/dbraw/zinc/13/82/47/682138247.db2.gz SRPNPZVVRUTNGB-FJBKBRRZSA-N 1 0 364.515 2.379 20 30 FEEDRO Cc1nn(-c2cc[nH+]cc2)cc1C=NN1C(=S)N=NC1[C@@H]1CCCO1 ZINC000783817708 682179149 /nfs/dbraw/zinc/17/91/49/682179149.db2.gz WWTDAPNVZKAQRM-AWEZNQCLSA-N 1 0 355.427 2.190 20 30 FEEDRO C#C[C@@](C)(CC)[NH2+]CC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000852099949 682219867 /nfs/dbraw/zinc/21/98/67/682219867.db2.gz RVESGDZNKFFFSH-KRWDZBQOSA-N 1 0 369.296 2.429 20 30 FEEDRO C=C(C)[C@@H](CO)N1CC[C@H](c2ccccc2)[C@H](NC(=O)C(F)(F)F)C1 ZINC000852673572 682318023 /nfs/dbraw/zinc/31/80/23/682318023.db2.gz KRTICNZUVRQFMT-BZUAXINKSA-N 1 0 356.388 2.460 20 30 FEEDRO O=C(C#CC1CC[NH2+]CC1)Nc1ccc(OCC(F)(F)C(F)F)nc1 ZINC000852865730 682351681 /nfs/dbraw/zinc/35/16/81/682351681.db2.gz NKTFIUJDZJPRCG-UHFFFAOYSA-N 1 0 359.323 2.302 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)CCn2cc(Cl)cn2)C1 ZINC000971558670 682359117 /nfs/dbraw/zinc/35/91/17/682359117.db2.gz DGYUDERPPDNBHL-BBWFWOEESA-N 1 0 366.893 2.050 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000919103326 685544476 /nfs/dbraw/zinc/54/44/76/685544476.db2.gz IJUKKSHSZAMQEA-UHFFFAOYSA-N 1 0 356.220 2.481 20 30 FEEDRO COC[C@@H](C)N=c1scc(C)n1N=Cc1ccnn1-c1cc[nH+]cc1 ZINC000853081457 682373411 /nfs/dbraw/zinc/37/34/11/682373411.db2.gz QQXUPKZEQBHSRM-CYBMUJFWSA-N 1 0 356.455 2.257 20 30 FEEDRO C=CC[C@@H]1CCC[N@H+](CN2C(=O)C(=O)N(CCc3cccs3)C2=O)C1 ZINC000853536196 682429821 /nfs/dbraw/zinc/42/98/21/682429821.db2.gz OSBOHGUEVKQGOQ-CQSZACIVSA-N 1 0 361.467 2.327 20 30 FEEDRO C=CCNC(=O)Cc1noc(-c2sc3c(c2Br)C[NH2+]C3)n1 ZINC000854148948 682518542 /nfs/dbraw/zinc/51/85/42/682518542.db2.gz NOSZABAEDIFPQR-UHFFFAOYSA-N 1 0 369.244 2.009 20 30 FEEDRO Cc1nc(CCO[NH+]=C(N)c2ccc(N3CCC(O)CC3)cc2)cs1 ZINC000790504944 682682383 /nfs/dbraw/zinc/68/23/83/682682383.db2.gz YHFXGJFVHFZEAU-UHFFFAOYSA-N 1 0 360.483 2.292 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)NC[C@@H](O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000856133134 682744926 /nfs/dbraw/zinc/74/49/26/682744926.db2.gz ODNZJLMPQXVFFW-MRXNPFEDSA-N 1 0 355.265 2.488 20 30 FEEDRO C#C[C@H](CCC)NC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000792448107 682811437 /nfs/dbraw/zinc/81/14/37/682811437.db2.gz GUMVOBPSJRACJO-CYBMUJFWSA-N 1 0 365.861 2.137 20 30 FEEDRO CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)c1cc(C#N)ccc1Cl)C2 ZINC000926150076 683083118 /nfs/dbraw/zinc/08/31/18/683083118.db2.gz FMTJDLULNQDWSZ-VXIBKDFQSA-N 1 0 361.873 2.421 20 30 FEEDRO C=CC[C@@H]1CC[N@@H+](CCC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000859445100 683110945 /nfs/dbraw/zinc/11/09/45/683110945.db2.gz AZFBXGVHERWEST-MRXNPFEDSA-N 1 0 351.491 2.354 20 30 FEEDRO N#Cc1ccsc1NC(=O)C(=O)N1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC000927892361 683335194 /nfs/dbraw/zinc/33/51/94/683335194.db2.gz CZHMOEXIRYLNBD-ZDUSSCGKSA-N 1 0 360.483 2.187 20 30 FEEDRO CCCCCCCCN1C(=O)C(=CNc2cc[nH+]cc2)C(=O)NC1=S ZINC000920979841 683384979 /nfs/dbraw/zinc/38/49/79/683384979.db2.gz YELYXGMVZOKIFF-SQFISAMPSA-N 1 0 360.483 2.403 20 30 FEEDRO C=CCN1CC[C@@H]([N@H+](C)C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1=O ZINC000798956584 683407906 /nfs/dbraw/zinc/40/79/06/683407906.db2.gz DTBBUXFWLBOCET-JKSUJKDBSA-N 1 0 351.491 2.352 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)Nc2cc(C(=O)OC)cnc2Cl)CC1 ZINC000861536572 683431885 /nfs/dbraw/zinc/43/18/85/683431885.db2.gz YKUNBMLIQMYDCC-UHFFFAOYSA-N 1 0 352.822 2.294 20 30 FEEDRO CC(C)[C@H]1CCc2c(C#N)c(NC(=O)C(=O)N(C)C[C@@H](C)[NH3+])sc2C1 ZINC000861544104 683433022 /nfs/dbraw/zinc/43/30/22/683433022.db2.gz KBHKGFSWEJKQFK-NEPJUHHUSA-N 1 0 362.499 2.125 20 30 FEEDRO CC(C)[C@@H]1CCc2c(C#N)c(NC(=O)C(=O)N(C)C[C@H](C)[NH3+])sc2C1 ZINC000861544105 683433066 /nfs/dbraw/zinc/43/30/66/683433066.db2.gz KBHKGFSWEJKQFK-NWDGAFQWSA-N 1 0 362.499 2.125 20 30 FEEDRO C#CCN(C(=O)NCc1cc([N+](=O)[O-])ccc1Cl)C1CC[NH+](C)CC1 ZINC000921419764 683464001 /nfs/dbraw/zinc/46/40/01/683464001.db2.gz MAPOCLBVGPAKSQ-UHFFFAOYSA-N 1 0 364.833 2.487 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)CCCCCNC(=O)OC(C)(C)C)CC1 ZINC000928652572 683481528 /nfs/dbraw/zinc/48/15/28/683481528.db2.gz DBVXKJGVNMPFFV-UHFFFAOYSA-N 1 0 351.491 2.285 20 30 FEEDRO Cc1cc(C#N)ccc1S(=O)(=O)N[C@@H](CC[NH+](C)C)c1cccnc1 ZINC000921481819 683481837 /nfs/dbraw/zinc/48/18/37/683481837.db2.gz UVIYOKMHESPOQO-KRWDZBQOSA-N 1 0 358.467 2.233 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])CC1 ZINC000928658469 683482634 /nfs/dbraw/zinc/48/26/34/683482634.db2.gz UGDMLGIUWOUWSO-UHFFFAOYSA-N 1 0 363.439 2.153 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)Cc2csc(Cc3ccccc3)n2)CC1 ZINC000928656913 683483121 /nfs/dbraw/zinc/48/31/21/683483121.db2.gz JSQHGWABLUAGMM-UHFFFAOYSA-N 1 0 353.491 2.490 20 30 FEEDRO C#CC[C@H](CO)NC(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000921701725 683548633 /nfs/dbraw/zinc/54/86/33/683548633.db2.gz BNPWCLWIWIDMNX-CPUCHLNUSA-N 1 0 367.852 2.155 20 30 FEEDRO C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(OC)c(Cl)c1 ZINC000922023298 683639493 /nfs/dbraw/zinc/63/94/93/683639493.db2.gz FVMDJTALQHHXLB-UHFFFAOYSA-N 1 0 356.875 2.067 20 30 FEEDRO C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cc2cc(F)ccc2o1 ZINC000922022937 683639502 /nfs/dbraw/zinc/63/95/02/683639502.db2.gz QVBONPCODMFOHT-UHFFFAOYSA-N 1 0 350.415 2.290 20 30 FEEDRO C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)CCc1ccccc1Cl ZINC000922027097 683640950 /nfs/dbraw/zinc/64/09/50/683640950.db2.gz ZMAGUYFQRFMYFP-UHFFFAOYSA-N 1 0 354.903 2.242 20 30 FEEDRO N#Cc1ccc(Br)c(C[NH2+]C[C@H]2CCCS(=O)(=O)C2)c1 ZINC000922128773 683665877 /nfs/dbraw/zinc/66/58/77/683665877.db2.gz HYYLUZJXCZYVLU-GFCCVEGCSA-N 1 0 357.273 2.235 20 30 FEEDRO C#Cc1ccc(NC(=O)CC[N@@H+](C)[C@@H]2CCCC[C@@H]2S(C)(=O)=O)cc1 ZINC000930000614 683667115 /nfs/dbraw/zinc/66/71/15/683667115.db2.gz NCCGKUBIBJYILY-MSOLQXFVSA-N 1 0 362.495 2.284 20 30 FEEDRO C[NH+]1CCC(CCO)(NCc2cc(C#N)ccc2Br)CC1 ZINC000922215144 683680916 /nfs/dbraw/zinc/68/09/16/683680916.db2.gz YGLWEKHBMIUQFU-UHFFFAOYSA-N 1 0 352.276 2.257 20 30 FEEDRO Cc1cc(NN=C(c2ccc(Cl)c(S(N)(=O)=O)c2)C2CC2)cc[nH+]1 ZINC000863159486 683682249 /nfs/dbraw/zinc/68/22/49/683682249.db2.gz TWMUSPHFLAOSIM-UHFFFAOYSA-N 1 0 364.858 2.339 20 30 FEEDRO Cn1nccc1[C@@H]1[C@@H]([NH2+]Cc2ccc(C#N)s2)CCC(=O)N1C1CC1 ZINC000922520252 683740145 /nfs/dbraw/zinc/74/01/45/683740145.db2.gz JLAANLDLRNMUNV-YJBOKZPZSA-N 1 0 355.467 2.338 20 30 FEEDRO N#CC1(C[C@H](O)C[NH2+]C[C@H](O)c2c(F)cccc2Cl)CCOCC1 ZINC000863560843 683742141 /nfs/dbraw/zinc/74/21/41/683742141.db2.gz AUIPGFLVISFYDM-WFASDCNBSA-N 1 0 356.825 2.173 20 30 FEEDRO O=C(NCC[NH2+]Cc1ccc(CC(F)(F)F)cc1)C1N=CC=CC1=O ZINC000865463220 683986293 /nfs/dbraw/zinc/98/62/93/683986293.db2.gz XXOLHAQFQOHUFZ-FOCLMDBBSA-N 1 0 353.344 2.407 20 30 FEEDRO C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000865859274 684037432 /nfs/dbraw/zinc/03/74/32/684037432.db2.gz SYQGYNYASOCXNS-KBPBESRZSA-N 1 0 359.898 2.432 20 30 FEEDRO C[C@@H]1CCC[C@@](C#N)(NC(=O)[C@H](C[NH+](C)C)NC(=O)OC(C)(C)C)C1 ZINC000865919271 684045400 /nfs/dbraw/zinc/04/54/00/684045400.db2.gz DDSYGRWEKNJARU-QWQRMKEZSA-N 1 0 352.479 2.030 20 30 FEEDRO C[NH+](C)CCN(Cc1ccco1)S(=O)(=O)c1cc(F)cc(C#N)c1 ZINC000866947132 684185468 /nfs/dbraw/zinc/18/54/68/684185468.db2.gz MPFLRDUJFIRDRJ-UHFFFAOYSA-N 1 0 351.403 2.043 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCC(O)(C[NH+](C)C)CC1 ZINC000931485170 684290974 /nfs/dbraw/zinc/29/09/74/684290974.db2.gz WGJCCEJMZUIDHI-MRXNPFEDSA-N 1 0 365.543 2.040 20 30 FEEDRO C#CCN1CCC[C@H](NC(=O)Cc2csc(Cc3ccccc3)n2)C1 ZINC000923584484 684308714 /nfs/dbraw/zinc/30/87/14/684308714.db2.gz XJBLMFXFKJDCOM-KRWDZBQOSA-N 1 0 353.491 2.490 20 30 FEEDRO C=CC1(CC(=O)N2CCC[C@@H]([NH+](C)C)C2)CN(C(=O)OC(C)(C)C)C1 ZINC000931693394 684331663 /nfs/dbraw/zinc/33/16/63/684331663.db2.gz WMCZXLQKKCNJOW-OAHLLOKOSA-N 1 0 351.491 2.352 20 30 FEEDRO CCC(=O)c1cccc(C#N)c1OS(=O)(=O)CCC[NH+]1CCCC1 ZINC000867622858 684335393 /nfs/dbraw/zinc/33/53/93/684335393.db2.gz IOCLZIVPRSCRBC-UHFFFAOYSA-N 1 0 350.440 2.345 20 30 FEEDRO C[NH+](C)C1(C)CCC(NS(=O)(=O)Cc2ccc(C#N)cc2F)CC1 ZINC000867742937 684370228 /nfs/dbraw/zinc/37/02/28/684370228.db2.gz BKYDVNHYAAHMRU-UHFFFAOYSA-N 1 0 353.463 2.380 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CC[C@@H](C2OCCO2)C1 ZINC000932003598 684386676 /nfs/dbraw/zinc/38/66/76/684386676.db2.gz WRXKTQZTDKQVNO-HUUCEWRRSA-N 1 0 350.484 2.346 20 30 FEEDRO C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC[N@H+]1CC=CCC1 ZINC000867921617 684426784 /nfs/dbraw/zinc/42/67/84/684426784.db2.gz NPKGBHQGAKGRGN-AWEZNQCLSA-N 1 0 357.882 2.400 20 30 FEEDRO N#CCCCC[C@@H]([NH3+])C(=O)NCc1nc(C(F)(F)F)n2c1CCCC2 ZINC000867997065 684436908 /nfs/dbraw/zinc/43/69/08/684436908.db2.gz AGYPIYKQAILGMT-LLVKDONJSA-N 1 0 357.380 2.266 20 30 FEEDRO C=C(Cl)C[C@@H]1NC(=O)N(Cc2ccc(N3CC[NH+](C)CC3)cc2)C1=O ZINC000925079722 684523057 /nfs/dbraw/zinc/52/30/57/684523057.db2.gz NFXCQFYRKJTCCP-INIZCTEOSA-N 1 0 362.861 2.001 20 30 FEEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]CC[C@@H]2CNCCS2(=O)=O)cc1 ZINC000925798328 684587570 /nfs/dbraw/zinc/58/75/70/684587570.db2.gz PWBCLAPFBLLYEY-RHSMWYFYSA-N 1 0 372.918 2.245 20 30 FEEDRO C[NH+](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)O[C@@H](C#N)C1CCCCC1 ZINC000869832553 684660091 /nfs/dbraw/zinc/66/00/91/684660091.db2.gz UWVGNNOIAKKCNR-GJZGRUSLSA-N 1 0 353.463 2.457 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CN1C(=O)N[C@H](Cc2cncs2)C1=O)C(C)C ZINC000871893796 684875153 /nfs/dbraw/zinc/87/51/53/684875153.db2.gz FNZTWVREXIXFDB-HZPDHXFCSA-N 1 0 362.499 2.305 20 30 FEEDRO C=C(Cl)C[C@@H](N)c1nc(-c2ccc(N3CCC[N@@H+](C)CC3)nc2)no1 ZINC000872178281 684924885 /nfs/dbraw/zinc/92/48/85/684924885.db2.gz UIACEPHLFBXTJH-CQSZACIVSA-N 1 0 362.865 2.416 20 30 FEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCN(c2nc3ccccc3s2)CC1 ZINC000876708473 686249003 /nfs/dbraw/zinc/24/90/03/686249003.db2.gz RGHAZAWWHHFWAV-GFCCVEGCSA-N 1 0 350.875 2.415 20 30 FEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCCN(Cc2ccc(OC)cc2)CC1 ZINC000876873944 686285468 /nfs/dbraw/zinc/28/54/68/686285468.db2.gz VVJUHKZSQYPPIE-QGZVFWFLSA-N 1 0 351.878 2.199 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC(c2ncc(C(=O)OC)s2)CC1 ZINC000877011086 686309839 /nfs/dbraw/zinc/30/98/39/686309839.db2.gz WLDPXAJMBIGPMP-NSHDSACASA-N 1 0 357.863 2.106 20 30 FEEDRO O=C(C#CC1CC[NH2+]CC1)N[C@H]1[C@@H]2Cc3cc(Br)ccc3[C@@H]21 ZINC000877176344 686336635 /nfs/dbraw/zinc/33/66/35/686336635.db2.gz RFISBTMTGPNELK-NJAFHUGGSA-N 1 0 359.267 2.206 20 30 FEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@@H]1COc2cccc(Br)c2C1 ZINC000877259661 686344373 /nfs/dbraw/zinc/34/43/73/686344373.db2.gz WCUBTELWEROZMD-JOYOIKCWSA-N 1 0 359.651 2.339 20 30 FEEDRO N#Cc1ccc(N2CC[NH+](C[C@H](O)COCc3cccs3)CC2)cc1 ZINC000879584798 686863367 /nfs/dbraw/zinc/86/33/67/686863367.db2.gz JLQDCJJOSNSXDS-SFHVURJKSA-N 1 0 357.479 2.319 20 30 FEEDRO C#CCC1(O)CC[NH+](C[C@@H](O)COc2cccc(C(F)(F)F)c2)CC1 ZINC000880479234 687052521 /nfs/dbraw/zinc/05/25/21/687052521.db2.gz MUGPBGYWGLBDDR-OAHLLOKOSA-N 1 0 357.372 2.295 20 30 FEEDRO CN1CC[NH+](CCCCNc2ncc(C#N)cc2Br)CC1 ZINC000881802707 687220755 /nfs/dbraw/zinc/22/07/55/687220755.db2.gz DYEWIXLWYGRYAG-UHFFFAOYSA-N 1 0 352.280 2.155 20 30 FEEDRO C#CC[N@H+](C)CCCNc1ccccc1S(=O)(=O)NCc1ccco1 ZINC000882402615 687361138 /nfs/dbraw/zinc/36/11/38/687361138.db2.gz NSYOUVIDGFIRDD-UHFFFAOYSA-N 1 0 361.467 2.125 20 30 FEEDRO N#Cc1cc(Br)cnc1N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000882727497 687458267 /nfs/dbraw/zinc/45/82/67/687458267.db2.gz XYISABAJQQRWHT-HNNXBMFYSA-N 1 0 365.275 2.453 20 30 FEEDRO N#Cc1nc(NC(=O)N[C@H]2CC[N@H+](CC3CC3)C2)ccc1Br ZINC000883086642 687560686 /nfs/dbraw/zinc/56/06/86/687560686.db2.gz ATMXDXZDDMDMGO-NSHDSACASA-N 1 0 364.247 2.322 20 30 FEEDRO C[C@@H]1C[C@@H](NC(=O)Nc2ccc(Br)c(C#N)n2)CC[N@@H+]1C ZINC000883092292 687562014 /nfs/dbraw/zinc/56/20/14/687562014.db2.gz LDQQLSXLZLHLMR-ZJUUUORDSA-N 1 0 352.236 2.320 20 30 FEEDRO C=CCC[C@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCCO1 ZINC000883215786 687588869 /nfs/dbraw/zinc/58/88/69/687588869.db2.gz GCHWEBUPAAYMTG-DLBZAZTESA-N 1 0 368.455 2.472 20 30 FEEDRO N#C[C@H]1C[NH2+]CC12CC(C(=O)NCCCc1nc3c(s1)CCCC3)C2 ZINC000884122782 687794619 /nfs/dbraw/zinc/79/46/19/687794619.db2.gz ZFSMCZJAFIOZCA-BIWSTMPVSA-N 1 0 358.511 2.210 20 30 FEEDRO CCCCCCCCNC(=O)C(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000884667902 687901878 /nfs/dbraw/zinc/90/18/78/687901878.db2.gz BNXGZIJMPSCWDM-QWHCGFSZSA-N 1 0 351.413 2.059 20 30 FEEDRO C=CCCC(C)(C)CNC(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000884855678 687949210 /nfs/dbraw/zinc/94/92/10/687949210.db2.gz NHEYSDUTEKUGDR-QWHCGFSZSA-N 1 0 363.424 2.081 20 30 FEEDRO C[NH+](C)CC(=O)N1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000885287638 688048290 /nfs/dbraw/zinc/04/82/90/688048290.db2.gz VHCOOOUIGWSUAJ-KNVOCYPGSA-N 1 0 354.241 2.177 20 30 FEEDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000885456119 688076983 /nfs/dbraw/zinc/07/69/83/688076983.db2.gz YCHTZWVURMDXES-KGLIPLIRSA-N 1 0 353.875 2.459 20 30 FEEDRO C#CCN(C(=O)C[C@H](C)n1cc(Br)cn1)C1CC[NH+](C)CC1 ZINC000886574689 688278245 /nfs/dbraw/zinc/27/82/45/688278245.db2.gz OYUVXEIONWAQFQ-ZDUSSCGKSA-N 1 0 367.291 2.153 20 30 FEEDRO C#CCN(C(=O)CSc1ccc2c(c1)OCCO2)C1CC[NH+](C)CC1 ZINC000886586967 688280330 /nfs/dbraw/zinc/28/03/30/688280330.db2.gz AFYDOFDDCIUNJO-UHFFFAOYSA-N 1 0 360.479 2.106 20 30 FEEDRO C[N@@H+]1CCC[C@@](O)(CC(=O)Nc2ccc(Br)c(C#N)c2)C1 ZINC000887994966 688532757 /nfs/dbraw/zinc/53/27/57/688532757.db2.gz QMEHMHAABOXENS-OAHLLOKOSA-N 1 0 352.232 2.106 20 30 FEEDRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)Nc1nc(Cl)c(C#N)s1 ZINC000888412554 688607102 /nfs/dbraw/zinc/60/71/02/688607102.db2.gz NCRZAVJNDBWGAM-JTQLQIEISA-N 1 0 357.867 2.243 20 30 FEEDRO Cc1nc(CC(F)(F)F)sc1CC(=O)NC1(C#N)CC[NH+](C)CC1 ZINC000889742340 688814621 /nfs/dbraw/zinc/81/46/21/688814621.db2.gz RODGASZUJNJBKQ-UHFFFAOYSA-N 1 0 360.405 2.203 20 30 FEEDRO C=CCS(=O)(=O)CC[NH2+][C@@H]1CC[C@@H](C(=O)OCC)[C@H](C(F)(F)F)C1 ZINC000893505419 689358515 /nfs/dbraw/zinc/35/85/15/689358515.db2.gz MCIMAYDUQHNODR-JHJVBQTASA-N 1 0 371.421 2.087 20 30 FEEDRO C=CCC[C@H](CO)[NH2+][C@H]1C[C@H](NC(=O)OC(C)(C)C)C12CCOCC2 ZINC000894770009 689592824 /nfs/dbraw/zinc/59/28/24/689592824.db2.gz RXJDKDUZIIQANM-PMPSAXMXSA-N 1 0 354.491 2.366 20 30 FEEDRO O=C1[C@@H]([NH2+]C2CCN(Cc3c(F)cccc3Cl)CC2)CCCN1O ZINC000895161301 689669418 /nfs/dbraw/zinc/66/94/18/689669418.db2.gz FQLSKFHYPFDMJN-INIZCTEOSA-N 1 0 355.841 2.413 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)NCc2ccc(SCC)cc2)CC1 ZINC000897674606 690060804 /nfs/dbraw/zinc/06/08/04/690060804.db2.gz AXXSPLREUMARIX-UHFFFAOYSA-N 1 0 361.511 2.181 20 30 FEEDRO COc1ccc(C[NH2+][C@H]2CCN(c3cn[nH]c(=O)c3Cl)C2)cc1C#N ZINC000898364868 690166826 /nfs/dbraw/zinc/16/68/26/690166826.db2.gz RIALXOXXYFYESW-ZDUSSCGKSA-N 1 0 359.817 2.084 20 30 FEEDRO N#Cc1ccc2ncc(C[NH2+][C@@H]3CCc4ncc(Br)n4C3)n2c1 ZINC000898723926 690237904 /nfs/dbraw/zinc/23/79/04/690237904.db2.gz KGMJZELXUVVFCK-GFCCVEGCSA-N 1 0 371.242 2.270 20 30 FEEDRO C[NH+]1CCC(OCC(=O)NCC(F)(C(F)(F)F)C(F)(F)F)CC1 ZINC000899520659 690371069 /nfs/dbraw/zinc/37/10/69/690371069.db2.gz JKZRPHPMJLBBHP-UHFFFAOYSA-N 1 0 354.266 2.046 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)NC[C@@H](c1ccc(Cl)cc1)N1CCOCC1 ZINC000900412590 690513746 /nfs/dbraw/zinc/51/37/46/690513746.db2.gz MFKLDMIWADPNIR-SFHVURJKSA-N 1 0 365.905 2.337 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)N[C@@H](C(=O)OC)c1ccc(Br)cc1 ZINC000900429851 690515699 /nfs/dbraw/zinc/51/56/99/690515699.db2.gz USCDNNGOKKHRBF-CQSZACIVSA-N 1 0 369.259 2.287 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)Cc2sc(-c3ccn(C)n3)nc2C)CC1 ZINC000900598850 690536651 /nfs/dbraw/zinc/53/66/51/690536651.db2.gz MASZAPBFLIGEPC-UHFFFAOYSA-N 1 0 359.499 2.161 20 30 FEEDRO COc1cc(C#N)ccc1S(=O)(=O)N1CCCC[C@@H]1C1(C[NH3+])CCC1 ZINC000903546552 690920278 /nfs/dbraw/zinc/92/02/78/690920278.db2.gz MWSXXCHMZSDAQA-QGZVFWFLSA-N 1 0 363.483 2.239 20 30 FEEDRO C[NH2+]C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000903575194 690927061 /nfs/dbraw/zinc/92/70/61/690927061.db2.gz HJEMSRYLJAPPAP-LBPRGKRZSA-N 1 0 372.288 2.083 20 30 FEEDRO N#Cc1cc(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@H]([NH3+])C2)ccc1Cl ZINC000903579303 690928418 /nfs/dbraw/zinc/92/84/18/690928418.db2.gz NFZSRXXZPSUSSZ-CMPLNLGQSA-N 1 0 367.780 2.112 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2C[C@@H](C[NH3+])Cc3cc(F)ccc32)s1 ZINC000903589848 690934024 /nfs/dbraw/zinc/93/40/24/690934024.db2.gz ZQVGHMRQXSBHMX-SNVBAGLBSA-N 1 0 351.428 2.085 20 30 FEEDRO O=C(CC[NH2+]C[C@H](O)C(F)(F)C(F)(F)F)Nc1cc(F)cc(F)c1 ZINC000905448567 691120200 /nfs/dbraw/zinc/12/02/00/691120200.db2.gz XPJRUBSVDYUIAQ-JTQLQIEISA-N 1 0 362.245 2.442 20 30 FEEDRO Cc1c(Br)cccc1CC[NH2+]C[C@H](O)CN(C)CCC#N ZINC000905560101 691140782 /nfs/dbraw/zinc/14/07/82/691140782.db2.gz IIHUGPHCXRQVMZ-HNNXBMFYSA-N 1 0 354.292 2.096 20 30 FEEDRO CC(C)(C[NH3+])C1CCN(C(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000906692309 691303009 /nfs/dbraw/zinc/30/30/09/691303009.db2.gz ZYTONPBLUBTFRY-UHFFFAOYSA-N 1 0 362.861 2.374 20 30 FEEDRO C=CCC1(C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)CN(C(=O)OC(C)(C)C)C1 ZINC000906798115 691317787 /nfs/dbraw/zinc/31/77/87/691317787.db2.gz NXBWHZVBEUFYBQ-HUUCEWRRSA-N 1 0 351.491 2.399 20 30 FEEDRO C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1c(C#N)sc2ccccc21 ZINC000907429281 691479394 /nfs/dbraw/zinc/47/93/94/691479394.db2.gz MUIUPLPHBHGVTR-UHFFFAOYSA-N 1 0 373.503 2.491 20 30 FEEDRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncc([N+](=O)[O-])cc1C#N)C2 ZINC001164807470 720103701 /nfs/dbraw/zinc/10/37/01/720103701.db2.gz CMUIPLQGKILHOY-VQIMIIECSA-N 1 0 371.441 2.046 20 30 FEEDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc(OC)cc(C#N)n1)C2 ZINC001164816173 720123398 /nfs/dbraw/zinc/12/33/98/720123398.db2.gz YBNZLRZNIBERBV-JXFKEZNVSA-N 1 0 356.470 2.147 20 30 FEEDRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2ncc(C#N)cc2Cl)CC1 ZINC001165007356 721730759 /nfs/dbraw/zinc/73/07/59/721730759.db2.gz BPTAQDCLDLRUND-UHFFFAOYSA-N 1 0 361.877 2.130 20 30 FEEDRO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2C(F)(F)c1cc(C#N)cc(Cl)n1 ZINC001164923659 721865549 /nfs/dbraw/zinc/86/55/49/721865549.db2.gz JULWBQULIBJHIB-KGLIPLIRSA-N 1 0 369.847 2.366 20 30 FEEDRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2C(F)(F)c1cnc(Cl)cc1C#N ZINC001164922417 721873224 /nfs/dbraw/zinc/87/32/24/721873224.db2.gz GQNUWXWYYLALAX-LSDHHAIUSA-N 1 0 369.847 2.366 20 30 FEEDRO CC[NH+]1CCN(c2ccc(CNc3ncc([N+](=O)[O-])cc3C#N)cn2)CC1 ZINC000515550670 816319850 /nfs/dbraw/zinc/31/98/50/816319850.db2.gz YZDAMJUCWPSIPB-UHFFFAOYSA-N 1 0 367.413 2.010 20 30 FEEDRO Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N1CC[N@@H+](C)CC[C@@H]1C ZINC000499127630 889030957 /nfs/dbraw/zinc/03/09/57/889030957.db2.gz MVMHXYWTRAILSJ-AWEZNQCLSA-N 1 0 353.430 2.005 20 30 FEEDRO C[N@H+](CCOc1cccc(CNC(=O)C(C)(C)C#N)c1)C1CCOCC1 ZINC000076224931 542247150 /nfs/dbraw/zinc/24/71/50/542247150.db2.gz WYWNRHFKOZBIKO-UHFFFAOYSA-N 1 0 359.470 2.342 20 30 FEEDRO COc1ccc(C[NH2+][C@H]2CCN(c3ccccc3C(N)=O)C2)cc1C#N ZINC000359876196 210192856 /nfs/dbraw/zinc/19/28/56/210192856.db2.gz UHFSYADTCKNTQC-INIZCTEOSA-N 1 0 350.422 2.034 20 30 FEEDRO C=CCN(CC=C)C(=O)C[NH+]1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000015042864 539610742 /nfs/dbraw/zinc/61/07/42/539610742.db2.gz GLYOKZSNCIYGPM-UHFFFAOYSA-N 1 0 357.454 2.243 20 30 FEEDRO Cc1cc(NC(=O)[C@@H](C)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)on1 ZINC000022969642 539703559 /nfs/dbraw/zinc/70/35/59/539703559.db2.gz QWTDALUNLORWLS-MRXNPFEDSA-N 1 0 367.453 2.390 20 30 FEEDRO Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+](CCC(C)C)C3CC3)CC2)o1 ZINC000029719669 539862419 /nfs/dbraw/zinc/86/24/19/539862419.db2.gz BIBSWDLYJJKNKM-UHFFFAOYSA-N 1 0 359.474 2.014 20 30 FEEDRO CC(C)(C)C(=O)NCCC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000029985941 539871806 /nfs/dbraw/zinc/87/18/06/539871806.db2.gz DJCITIIQPQQUMY-UHFFFAOYSA-N 1 0 370.497 2.145 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)Nc1ccc(C#N)cc1)C(C)C ZINC000041855971 540036930 /nfs/dbraw/zinc/03/69/30/540036930.db2.gz FMHXPXPVJUZXSV-GOSISDBHSA-N 1 0 354.454 2.312 20 30 FEEDRO COc1ccc(N2CC[NH+](CCCNC(=O)N(C)C[C@@H](C)C#N)CC2)cc1 ZINC000045126718 540204012 /nfs/dbraw/zinc/20/40/12/540204012.db2.gz ICHFIBRUSUOEKO-KRWDZBQOSA-N 1 0 373.501 2.008 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(-n2cncn2)cc1 ZINC000047011611 540284801 /nfs/dbraw/zinc/28/48/01/540284801.db2.gz OFLFRGLWTSPCMN-UHFFFAOYSA-N 1 0 374.448 2.343 20 30 FEEDRO C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cn1 ZINC000047553060 540318067 /nfs/dbraw/zinc/31/80/67/540318067.db2.gz HQZZWKSOORFSLR-HNNXBMFYSA-N 1 0 365.437 2.111 20 30 FEEDRO C=CCNC(=O)[C@@H](C)[NH+]1CCC(C(=O)NCc2ccc(C)c(F)c2)CC1 ZINC000047893188 540332804 /nfs/dbraw/zinc/33/28/04/540332804.db2.gz CCTVLXOTFCHYKP-OAHLLOKOSA-N 1 0 361.461 2.153 20 30 FEEDRO N#Cc1ccc(CSCC(=O)N2CCC(C[NH+]3CCOCC3)CC2)cc1 ZINC000048483356 540364314 /nfs/dbraw/zinc/36/43/14/540364314.db2.gz SSRIEWZPBNMYJB-UHFFFAOYSA-N 1 0 373.522 2.362 20 30 FEEDRO COc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000050173422 540402332 /nfs/dbraw/zinc/40/23/32/540402332.db2.gz ZLZGOJVCLQWRFN-VBKZILBWSA-N 1 0 372.469 2.132 20 30 FEEDRO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H](C(=O)N3CCCCC3)C2)cc1 ZINC000051557654 540437737 /nfs/dbraw/zinc/43/77/37/540437737.db2.gz YJADKINUSHOORB-RBUKOAKNSA-N 1 0 371.481 2.022 20 30 FEEDRO CC[NH+](CC)CCCNC(=O)C(=O)Nc1cc(C#N)ccc1OC(C)C ZINC000054840932 540613676 /nfs/dbraw/zinc/61/36/76/540613676.db2.gz AGXAYQOSSZVUGL-UHFFFAOYSA-N 1 0 360.458 2.132 20 30 FEEDRO CNC(=O)[C@@H]1CCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000055014584 540621405 /nfs/dbraw/zinc/62/14/05/540621405.db2.gz OHPASBNRRPYVHJ-HNNXBMFYSA-N 1 0 374.510 2.428 20 30 FEEDRO C[C@H]([NH2+]CC(=O)N[C@@](C)(C#N)C1CC1)C1CCN(CC(F)(F)F)CC1 ZINC000550684002 674105494 /nfs/dbraw/zinc/10/54/94/674105494.db2.gz HKLDAKWMLZJTOS-LRDDRELGSA-N 1 0 360.424 2.047 20 30 FEEDRO N#CC1CCN(C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000057993732 540826537 /nfs/dbraw/zinc/82/65/37/540826537.db2.gz ZUHLXZVKXWBSSP-UHFFFAOYSA-N 1 0 355.486 2.144 20 30 FEEDRO CC[C@H](C)[N@H+](C)CCNC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000066196174 541289588 /nfs/dbraw/zinc/28/95/88/541289588.db2.gz CMXZOEWGWYTICY-KRWDZBQOSA-N 1 0 357.502 2.116 20 30 FEEDRO C=CCSCCNC(=O)C(=O)NC[C@H](C(C)C)[NH+]1CCCCCC1 ZINC000550755539 674109193 /nfs/dbraw/zinc/10/91/93/674109193.db2.gz APHGOSHLYLIMAX-MRXNPFEDSA-N 1 0 355.548 2.039 20 30 FEEDRO C=CCNC(=O)NC(=O)C[NH2+]C1(c2ccc(Br)cc2)CCC1 ZINC000067712364 541504281 /nfs/dbraw/zinc/50/42/81/541504281.db2.gz GEVAGUBYCPDAHT-UHFFFAOYSA-N 1 0 366.259 2.430 20 30 FEEDRO C[NH+]1CCN(C[C@@H](NC(=O)c2sccc2C#N)c2ccccc2)CC1 ZINC000068023772 541539847 /nfs/dbraw/zinc/53/98/47/541539847.db2.gz LLDKYRALLAIDCK-QGZVFWFLSA-N 1 0 354.479 2.338 20 30 FEEDRO C[NH+]1CCN(C[C@H](NC(=O)Cc2ccc(C#N)cc2)c2ccccc2)CC1 ZINC000068023703 541539981 /nfs/dbraw/zinc/53/99/81/541539981.db2.gz IBMAPZRKOIPCSP-NRFANRHFSA-N 1 0 362.477 2.206 20 30 FEEDRO CC(C)C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)CC(N)=O ZINC000067962951 541533914 /nfs/dbraw/zinc/53/39/14/541533914.db2.gz IDKMMYZXLDWDOD-UHFFFAOYSA-N 1 0 362.499 2.270 20 30 FEEDRO N#CCCCOc1cccc(NC(=O)C(=O)NC2CC[NH+](C3CC3)CC2)c1 ZINC000070864538 541747036 /nfs/dbraw/zinc/74/70/36/541747036.db2.gz GWDDSUDDRHPKDI-UHFFFAOYSA-N 1 0 370.453 2.051 20 30 FEEDRO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)Nc1cccc(OCCCC#N)c1 ZINC000070968545 541755287 /nfs/dbraw/zinc/75/52/87/541755287.db2.gz BHLZUGSJCCGHIW-OAHLLOKOSA-N 1 0 360.458 2.154 20 30 FEEDRO COCCOC[C@H]1CC[N@@H+]([C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1 ZINC000072796258 541866348 /nfs/dbraw/zinc/86/63/48/541866348.db2.gz GAJSIWJJTBCTDK-NRGCRIOASA-N 1 0 365.518 2.291 20 30 FEEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000073496596 541958940 /nfs/dbraw/zinc/95/89/40/541958940.db2.gz WJVYHMUUBHYYQH-LSDHHAIUSA-N 1 0 374.510 2.429 20 30 FEEDRO N#CCSCCC[NH+]1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000074980871 542143510 /nfs/dbraw/zinc/14/35/10/542143510.db2.gz LCQJNPDRUBHZCC-UHFFFAOYSA-N 1 0 359.542 2.138 20 30 FEEDRO C=CCN1C(=O)c2ccc(C(=O)N(C)[C@@H]3CC[N@@H+](CC)C[C@H]3C)cc2C1=O ZINC000076483343 542283939 /nfs/dbraw/zinc/28/39/39/542283939.db2.gz DKHHIPRNRTUPLR-RDTXWAMCSA-N 1 0 369.465 2.271 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc3cnn(C(C)C)c3c2)CC1 ZINC000076512932 542287995 /nfs/dbraw/zinc/28/79/95/542287995.db2.gz MNWOQGGSQWEIOF-UHFFFAOYSA-N 1 0 369.469 2.322 20 30 FEEDRO C=CCOc1cccc(NC(=O)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC000076576076 542295657 /nfs/dbraw/zinc/29/56/57/542295657.db2.gz DFNNRYJNRIODOM-ALOPSCKCSA-N 1 0 357.454 2.321 20 30 FEEDRO COc1ccccc1C[N@H+](CCO)CCOc1ccc(C#N)cc1OC ZINC000077280989 542362002 /nfs/dbraw/zinc/36/20/02/542362002.db2.gz HHETZYIYXXITIR-UHFFFAOYSA-N 1 0 356.422 2.449 20 30 FEEDRO COc1cc(C#N)ccc1OCCN1CCC[N@@H+](C2CCOCC2)CC1 ZINC000077318420 542366519 /nfs/dbraw/zinc/36/65/19/542366519.db2.gz SBGWFUAYCIVMCS-UHFFFAOYSA-N 1 0 359.470 2.132 20 30 FEEDRO C[C@@H](NC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc(C#N)cc1 ZINC000077348639 542371258 /nfs/dbraw/zinc/37/12/58/542371258.db2.gz WMFXPVBKEVONRZ-NVXWUHKLSA-N 1 0 356.470 2.419 20 30 FEEDRO C=CC[C@@H](C)NC(=O)C(=O)Nc1ccc(N(C)C2CC[NH+](C)CC2)cc1 ZINC000077769164 542418364 /nfs/dbraw/zinc/41/83/64/542418364.db2.gz IVOXQZSGDYKGCZ-OAHLLOKOSA-N 1 0 358.486 2.236 20 30 FEEDRO C=C(Cl)CNC(=O)C(=O)Nc1ccccc1OCC[NH+](CC)CC ZINC000077779350 542419769 /nfs/dbraw/zinc/41/97/69/542419769.db2.gz VHAMYJUXQXBKOR-UHFFFAOYSA-N 1 0 353.850 2.214 20 30 FEEDRO CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)C2(C#N)CCCCC2)CC1 ZINC000079644085 542533483 /nfs/dbraw/zinc/53/34/83/542533483.db2.gz LUDLLRLGJLLPLH-UHFFFAOYSA-N 1 0 362.518 2.203 20 30 FEEDRO C[C@@H](C#N)CN(C)C(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000080077544 542563254 /nfs/dbraw/zinc/56/32/54/542563254.db2.gz PCRAJYMPHPIGAF-SFHVURJKSA-N 1 0 357.502 2.390 20 30 FEEDRO CC(C)[N@H+](C)CC1CCN(CCS(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000081513169 542662409 /nfs/dbraw/zinc/66/24/09/542662409.db2.gz RAOYJXYKBTZDEK-UHFFFAOYSA-N 1 0 363.527 2.384 20 30 FEEDRO N#Cc1ccsc1N1CC[C@H](N2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)C1=O ZINC000083209619 542694757 /nfs/dbraw/zinc/69/47/57/542694757.db2.gz SXLOBHNUWGUWMO-HZMVEIRTSA-N 1 0 356.495 2.141 20 30 FEEDRO C=CCSCCNC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000083649439 542699189 /nfs/dbraw/zinc/69/91/89/542699189.db2.gz LUUZUYMNRSLLOF-UHFFFAOYSA-N 1 0 355.548 2.488 20 30 FEEDRO CCN(CCC#N)C(=O)C[NH+]1CCC(Nc2cc(OC)cc(OC)c2)CC1 ZINC000085868997 542733185 /nfs/dbraw/zinc/73/31/85/542733185.db2.gz KOSBPPTXZBYEAQ-UHFFFAOYSA-N 1 0 374.485 2.342 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H]2CCN(c3c(F)cccc3F)C2)CC1 ZINC000087116335 542742092 /nfs/dbraw/zinc/74/20/92/542742092.db2.gz XDSMTLWFXHYUPS-OAHLLOKOSA-N 1 0 364.440 2.493 20 30 FEEDRO C[NH+]1CCN(c2ccc(CNC(=O)Nc3ccc(F)cc3C#N)cn2)CC1 ZINC000097472730 132229337 /nfs/dbraw/zinc/22/93/37/132229337.db2.gz VCMUPEJJEGIKOT-UHFFFAOYSA-N 1 0 368.416 2.166 20 30 FEEDRO C[NH+]=C(NCc1cnc(N(C)C)n1C)NCc1oc2ccccc2c1C ZINC000087387109 542745288 /nfs/dbraw/zinc/74/52/88/542745288.db2.gz UJHURCSUKPTCBV-UHFFFAOYSA-N 1 0 354.458 2.406 20 30 FEEDRO CC[C@@H]1CN(C)c2ccccc2C[N@@H+]1CC(=O)N(CCC#N)CCC#N ZINC000088562258 542753175 /nfs/dbraw/zinc/75/31/75/542753175.db2.gz DHSCAGCZVZRNOY-GOSISDBHSA-N 1 0 353.470 2.373 20 30 FEEDRO N#CCOc1cccc(CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)c1 ZINC000089591859 542765412 /nfs/dbraw/zinc/76/54/12/542765412.db2.gz LJLRAMAOXYUQSN-UHFFFAOYSA-N 1 0 371.481 2.283 20 30 FEEDRO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)Cc1cccc(OCC#N)c1 ZINC000089769304 542769644 /nfs/dbraw/zinc/76/96/44/542769644.db2.gz GKAASAVARMLRJF-LJQANCHMSA-N 1 0 351.450 2.421 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)CN(CCc2ccccc2)C(C)=O)CC1 ZINC000090554072 542786141 /nfs/dbraw/zinc/78/61/41/542786141.db2.gz ATHFWAOUHBDGGB-UHFFFAOYSA-N 1 0 357.498 2.234 20 30 FEEDRO CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH2+]C2(c3ccc(F)cc3)CC2)CC1 ZINC000091619149 542815937 /nfs/dbraw/zinc/81/59/37/542815937.db2.gz LICXEALRASWMPP-GOSISDBHSA-N 1 0 358.461 2.097 20 30 FEEDRO C[NH+](C)[C@H]1CC[C@@H](NC(=O)N2CCN(c3cccc(F)c3C#N)CC2)C1 ZINC000091711582 542821656 /nfs/dbraw/zinc/82/16/56/542821656.db2.gz DJTFQZHBGNETRB-CABCVRRESA-N 1 0 359.449 2.012 20 30 FEEDRO CN1CCN(C[C@@H]([NH2+]Cc2cnc3ccc(C#N)cn23)c2ccccc2)CC1 ZINC000092175233 542847543 /nfs/dbraw/zinc/84/75/43/542847543.db2.gz DTGCTHWVURFUMZ-OAQYLSRUSA-N 1 0 374.492 2.284 20 30 FEEDRO CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCC(C(=O)Nc2ccc(F)cc2)CC1 ZINC000101916962 543049460 /nfs/dbraw/zinc/04/94/60/543049460.db2.gz OXBGAMSOHWLZTR-HNNXBMFYSA-N 1 0 374.460 2.484 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)cc1 ZINC000103163903 543095885 /nfs/dbraw/zinc/09/58/85/543095885.db2.gz UVYIBJAHZFQTTN-LJQANCHMSA-N 1 0 369.490 2.401 20 30 FEEDRO C[N@H+](CCN1CCN(C(=O)c2cccc(C#N)c2)CC1)Cc1ccccc1 ZINC000104437801 543131745 /nfs/dbraw/zinc/13/17/45/543131745.db2.gz ZMTXQIQIYPHLGU-UHFFFAOYSA-N 1 0 362.477 2.448 20 30 FEEDRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(-n2ncc(C#N)c2N)cc1 ZINC000104136466 543124352 /nfs/dbraw/zinc/12/43/52/543124352.db2.gz ICYKBRDMHUOTLS-OAHLLOKOSA-N 1 0 366.469 2.320 20 30 FEEDRO CC1(C)CN(CC(=O)N(CCC#N)CCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000104731700 543139968 /nfs/dbraw/zinc/13/99/68/543139968.db2.gz RXOCAGKVIJHSFA-UHFFFAOYSA-N 1 0 367.497 2.239 20 30 FEEDRO COc1ccc([C@@H](CNC(=O)N2CCC(C#N)CC2)[NH+](C)C)cc1OC ZINC000105078743 543156955 /nfs/dbraw/zinc/15/69/55/543156955.db2.gz BZPLBSXJTSQADV-MRXNPFEDSA-N 1 0 360.458 2.252 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@H]2CCCCN2C(=O)c2ccco2)CC1 ZINC000106034780 543186478 /nfs/dbraw/zinc/18/64/78/543186478.db2.gz DLNIREIIRAIYSW-QGZVFWFLSA-N 1 0 359.470 2.431 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CSCN2C(=O)CCCC)CC1 ZINC000106034678 543186484 /nfs/dbraw/zinc/18/64/84/543186484.db2.gz JWEBBSVQYCRDKC-INIZCTEOSA-N 1 0 353.532 2.235 20 30 FEEDRO C[N@H+](CCC(=O)Nc1ccccc1C#N)C[C@H]1CCCN1c1cccnn1 ZINC000106087087 543193429 /nfs/dbraw/zinc/19/34/29/543193429.db2.gz ADWYXZMTABYDML-QGZVFWFLSA-N 1 0 364.453 2.278 20 30 FEEDRO C[N@H+](CCC(=O)Nc1ccc(C#N)cc1)C[C@H]1CCCN1c1cccnn1 ZINC000106089598 543193643 /nfs/dbraw/zinc/19/36/43/543193643.db2.gz OLSNVBDYCYCXLI-GOSISDBHSA-N 1 0 364.453 2.278 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(OCC(=O)N(C)C)cc2)CC1 ZINC000106319442 543223007 /nfs/dbraw/zinc/22/30/07/543223007.db2.gz PWODLULKPJJYOK-UHFFFAOYSA-N 1 0 374.485 2.316 20 30 FEEDRO CC[NH+](CC)[C@H](CNC(=O)N1CCO[C@H](C#N)C1)c1cccc(OC)c1 ZINC000106329731 543223539 /nfs/dbraw/zinc/22/35/39/543223539.db2.gz CCYFWCDDUFAOTJ-QZTJIDSGSA-N 1 0 360.458 2.012 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cc(F)c(F)cc2F)CC1 ZINC000106349016 543224684 /nfs/dbraw/zinc/22/46/84/543224684.db2.gz IMUMMYFUUQHTPL-UHFFFAOYSA-N 1 0 355.360 2.199 20 30 FEEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+](C[C@H](C)O)C(C)C ZINC000107042459 543259506 /nfs/dbraw/zinc/25/95/06/543259506.db2.gz FPCRKHOMAFLLTL-AWEZNQCLSA-N 1 0 364.490 2.043 20 30 FEEDRO C#CCOc1cccc(NC(=O)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c1 ZINC000108603351 543297364 /nfs/dbraw/zinc/29/73/64/543297364.db2.gz VOIQVDFHZIOVSZ-UHFFFAOYSA-N 1 0 357.454 2.063 20 30 FEEDRO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCCC[C@@H]2CC(N)=O)cc1 ZINC000110524466 543360326 /nfs/dbraw/zinc/36/03/26/543360326.db2.gz DZYSYNGJAFTHOS-QGZVFWFLSA-N 1 0 372.469 2.062 20 30 FEEDRO CNC(=O)[C@H]1CCC[N@@H+]([C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000111265166 543389738 /nfs/dbraw/zinc/38/97/38/543389738.db2.gz OFPYSFZMIWSOCN-MSOLQXFVSA-N 1 0 370.497 2.397 20 30 FEEDRO C[C@@H]1C[N@@H+](Cc2ccc(CNS(=O)(=O)CCCC#N)cc2)C[C@H](C)O1 ZINC000111328148 543396907 /nfs/dbraw/zinc/39/69/07/543396907.db2.gz IFBDEAOLSKIUGC-IYBDPMFKSA-N 1 0 365.499 2.019 20 30 FEEDRO C[C@@H](CNC(=O)CCCCOc1cccc(C#N)c1)C[NH+]1CCN(C)CC1 ZINC000111661165 543410776 /nfs/dbraw/zinc/41/07/76/543410776.db2.gz PARKQAOTZGATPS-SFHVURJKSA-N 1 0 372.513 2.107 20 30 FEEDRO N#CC1(C(=O)NCC2([NH+]3CCSCC3)CCCCC2)CCOCC1 ZINC000112186638 543433372 /nfs/dbraw/zinc/43/33/72/543433372.db2.gz CHOFEAQHQSNKOW-UHFFFAOYSA-N 1 0 351.516 2.175 20 30 FEEDRO CN(C)[C@@H](C[NH2+]C[C@@H](O)COc1ccc(CC#N)cc1)c1cccs1 ZINC000551947078 674175222 /nfs/dbraw/zinc/17/52/22/674175222.db2.gz AIWGUETXVIEVQH-AEFFLSMTSA-N 1 0 359.495 2.446 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1ccccc1-n1cnnn1)C(C)C ZINC000112919819 543468518 /nfs/dbraw/zinc/46/85/18/543468518.db2.gz VYYQQNVQIJQJJZ-SFHVURJKSA-N 1 0 354.458 2.091 20 30 FEEDRO C#CCCOc1ccc(C[NH2+]CCc2ccc(S(N)(=O)=O)cc2)cc1 ZINC000113319044 543483697 /nfs/dbraw/zinc/48/36/97/543483697.db2.gz LKKYGTCKRNNWND-UHFFFAOYSA-N 1 0 358.463 2.068 20 30 FEEDRO Cc1nc2n(n1)C[C@H]([NH2+][C@@H](C)C(=O)N(CCC#N)c1ccc(C)cc1)CC2 ZINC000114803197 543537680 /nfs/dbraw/zinc/53/76/80/543537680.db2.gz RYVSXBLDBJKIBG-DOTOQJQBSA-N 1 0 366.469 2.135 20 30 FEEDRO CCC(CC)C(=O)N1CCC([NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000115597676 543577563 /nfs/dbraw/zinc/57/75/63/543577563.db2.gz FJZIGOMIUWEVQD-GOSISDBHSA-N 1 0 356.470 2.101 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CCC[C@@H](C(=O)NC(C)C)C2)CC1 ZINC000116547374 543610316 /nfs/dbraw/zinc/61/03/16/543610316.db2.gz XTYJRHUCNXJNTI-SJLPKXTDSA-N 1 0 364.534 2.410 20 30 FEEDRO C[N@H+](CCNC(=O)C(=O)Nc1cccc(OCCCC#N)c1)C1CCCC1 ZINC000118132124 543647891 /nfs/dbraw/zinc/64/78/91/543647891.db2.gz CICBMWZGUZUQDZ-UHFFFAOYSA-N 1 0 372.469 2.298 20 30 FEEDRO C=CCC[C@@H](O)C[NH+]1CCN(CC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000120921381 543686508 /nfs/dbraw/zinc/68/65/08/543686508.db2.gz JAVRSYWTFBHORG-QGZVFWFLSA-N 1 0 351.878 2.223 20 30 FEEDRO C=CCC[C@H](O)C[NH+]1CCN(CC(=O)Nc2ccccc2Cl)CC1 ZINC000121297607 543692377 /nfs/dbraw/zinc/69/23/77/543692377.db2.gz KWNQUGJPFHEVCH-HNNXBMFYSA-N 1 0 351.878 2.223 20 30 FEEDRO N#CCCN(Cc1cccnc1)C(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000118881879 543660937 /nfs/dbraw/zinc/66/09/37/543660937.db2.gz XMMJJEPZEUUTOI-UHFFFAOYSA-N 1 0 356.470 2.359 20 30 FEEDRO O=C(C[N@H+]1CCCC[C@H]1CO)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000123021066 543738185 /nfs/dbraw/zinc/73/81/85/543738185.db2.gz YHTNTDKYPPSGIE-INIZCTEOSA-N 1 0 354.372 2.020 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1cccc(Cl)c1F ZINC000122128788 543703648 /nfs/dbraw/zinc/70/36/48/543703648.db2.gz DJQUMBAHXJHNSB-UHFFFAOYSA-N 1 0 354.813 2.112 20 30 FEEDRO COc1c(C)cnc(C[NH+]2CCC(N(C)c3cnc(C#N)cn3)CC2)c1C ZINC000123736023 543779868 /nfs/dbraw/zinc/77/98/68/543779868.db2.gz PIKZBKPEFWMVKQ-UHFFFAOYSA-N 1 0 366.469 2.470 20 30 FEEDRO C[C@H]1CN(c2ccc(C[NH2+]Cc3cnc4ccc(C#N)cn34)cn2)CCO1 ZINC000123312085 543754236 /nfs/dbraw/zinc/75/42/36/543754236.db2.gz IETJJTXGNADTLP-HNNXBMFYSA-N 1 0 362.437 2.116 20 30 FEEDRO CN1CCN(S(=O)(=O)c2c(F)cc(C#N)cc2F)C2(CCCCC2)C1 ZINC000125999143 543912884 /nfs/dbraw/zinc/91/28/84/543912884.db2.gz AALJZHLTJUGNGR-UHFFFAOYSA-N 1 0 369.437 2.475 20 30 FEEDRO N#Cc1ccccc1NC(=O)CC[NH+]1CCN(c2cccc(O)c2)CC1 ZINC000126643172 543948392 /nfs/dbraw/zinc/94/83/92/543948392.db2.gz MBRBUEMQOPZLGB-UHFFFAOYSA-N 1 0 350.422 2.415 20 30 FEEDRO N#Cc1ccc([C@@H](O)CN2CCN(C(=O)c3c(F)cccc3F)CC2)cc1 ZINC000127397190 543990320 /nfs/dbraw/zinc/99/03/20/543990320.db2.gz ZBAZORCPVHHLOZ-SFHVURJKSA-N 1 0 371.387 2.328 20 30 FEEDRO COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000127455421 543994086 /nfs/dbraw/zinc/99/40/86/543994086.db2.gz ZKQGUDBRNQDICN-MAUKXSAKSA-N 1 0 356.470 2.341 20 30 FEEDRO C=CCNC(=O)CN1CCC[C@H](NC(=O)c2ccc3ccccc3c2)C1 ZINC000129644220 544121547 /nfs/dbraw/zinc/12/15/47/544121547.db2.gz YGFGDCDPTYJZJK-IBGZPJMESA-N 1 0 351.450 2.336 20 30 FEEDRO C#CCCOc1ccc(C[NH+]2CCC(NS(=O)(=O)CCC)CC2)cc1 ZINC000129776341 544126811 /nfs/dbraw/zinc/12/68/11/544126811.db2.gz WNVNITYSCLXMJJ-UHFFFAOYSA-N 1 0 364.511 2.383 20 30 FEEDRO CC(C)OC[C@@H](O)C[NH+]1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000131288581 544184166 /nfs/dbraw/zinc/18/41/66/544184166.db2.gz OUHHOJFCMPBCMI-KRWDZBQOSA-N 1 0 354.454 2.014 20 30 FEEDRO C[C@@H]([NH2+][C@@H]1CCCC[C@@H]1C(N)=O)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000131019128 544174479 /nfs/dbraw/zinc/17/44/79/544174479.db2.gz SWCFNCQDXMKXKF-XOKHGSTOSA-N 1 0 360.433 2.095 20 30 FEEDRO C[N@H+](CCc1cccc(NC(=O)C(=O)N(CCC#N)CC2CC2)c1)C1CC1 ZINC000132821838 544245004 /nfs/dbraw/zinc/24/50/04/544245004.db2.gz INVMPVLWPVYEDS-UHFFFAOYSA-N 1 0 368.481 2.414 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)NCc2cc(OC)ccc2OC(F)F)CC1 ZINC000133567221 544275309 /nfs/dbraw/zinc/27/53/09/544275309.db2.gz FSPNRJMPUHEINX-UHFFFAOYSA-N 1 0 352.381 2.258 20 30 FEEDRO C[N@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)[C@H](CO)C(C)(C)C ZINC000134397861 544306710 /nfs/dbraw/zinc/30/67/10/544306710.db2.gz JIPKLKCIQNTOCH-MRXNPFEDSA-N 1 0 355.442 2.021 20 30 FEEDRO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3CCC[C@@H]3CCC(C)C)CC2)o1 ZINC000135315486 544341621 /nfs/dbraw/zinc/34/16/21/544341621.db2.gz RBNCFBPAGDMKGG-QGZVFWFLSA-N 1 0 373.501 2.404 20 30 FEEDRO C[C@@H]1CN(C[C@@H]2CCCN2CC(=O)Nc2cccc(C#N)c2)C[C@@H](C)O1 ZINC000139096692 544400037 /nfs/dbraw/zinc/40/00/37/544400037.db2.gz HAGNOHSBMYJALE-MDZRGWNJSA-N 1 0 356.470 2.070 20 30 FEEDRO C=C(C)COc1cc(C[NH2+]C2CCN(S(C)(=O)=O)CC2)ccc1OC ZINC000142884184 544419161 /nfs/dbraw/zinc/41/91/61/544419161.db2.gz QOHHOVAWAKENHO-UHFFFAOYSA-N 1 0 368.499 2.164 20 30 FEEDRO C[C@@H](CNC(=O)c1cn(CCC#N)nc1-c1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000150216270 544462085 /nfs/dbraw/zinc/46/20/85/544462085.db2.gz CMDPRNUVMVXRFO-ZDUSSCGKSA-N 1 0 370.413 2.052 20 30 FEEDRO C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)CCc1ccc(C#N)cc1 ZINC000150836794 544477399 /nfs/dbraw/zinc/47/73/99/544477399.db2.gz JTHKQQIJVVTCLP-UHFFFAOYSA-N 1 0 350.422 2.290 20 30 FEEDRO C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)Cc2ccc(OCC#N)cc2)C[C@@H](C)O1 ZINC000247512345 549348772 /nfs/dbraw/zinc/34/87/72/549348772.db2.gz JTNCIWOCJCSPLU-ZHALLVOQSA-N 1 0 371.481 2.232 20 30 FEEDRO Cc1nccn1C[C@@H](C)CNC(=O)N1CC(Oc2ccc(C#N)cc2)C1 ZINC000152521035 544664157 /nfs/dbraw/zinc/66/41/57/544664157.db2.gz VJGMKKVREHFMRJ-AWEZNQCLSA-N 1 0 353.426 2.172 20 30 FEEDRO CCC[C@@H](NC(=O)C[N@H+](C)CCCc1[nH]nc(N)c1C#N)c1ccccc1 ZINC000153311387 544759590 /nfs/dbraw/zinc/75/95/90/544759590.db2.gz KMMLBKRHHSLXKX-QGZVFWFLSA-N 1 0 368.485 2.386 20 30 FEEDRO C[NH+]=C(NCC(C)(C)c1cccs1)N1CCO[C@H](c2cnn(C)c2)C1 ZINC000153318092 544760157 /nfs/dbraw/zinc/76/01/57/544760157.db2.gz ZZNPYVBQVNVJIO-HNNXBMFYSA-N 1 0 361.515 2.408 20 30 FEEDRO C[C@H](C(=O)NCc1ccccc1Cl)[N@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000153325952 544761427 /nfs/dbraw/zinc/76/14/27/544761427.db2.gz BFKUEUXDAIXQPJ-GFCCVEGCSA-N 1 0 374.876 2.086 20 30 FEEDRO C[N@@H+]1CCO[C@@H]2CN(c3c(C#N)cnc4ccc(OC(F)F)cc43)C[C@@H]21 ZINC000153137579 544738331 /nfs/dbraw/zinc/73/83/31/544738331.db2.gz IQEBICRNCIGPRW-JKSUJKDBSA-N 1 0 360.364 2.227 20 30 FEEDRO C[C@H](O)C[C@@H]1CCC[N@@H+]1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000153162069 544741269 /nfs/dbraw/zinc/74/12/69/544741269.db2.gz WYXOMQLPXNFCQI-YOEHRIQHSA-N 1 0 368.399 2.408 20 30 FEEDRO C[NH+](C)Cc1ccc(CNC(=O)C(=O)Nc2ccc(C#N)cc2)cc1F ZINC000153986567 544848514 /nfs/dbraw/zinc/84/85/14/544848514.db2.gz KHKRQUPFNZCANU-UHFFFAOYSA-N 1 0 354.385 2.014 20 30 FEEDRO N#Cc1ccc(C[NH2+]C2CCN(S(=O)(=O)C(F)(F)F)CC2)s1 ZINC000153891002 544837189 /nfs/dbraw/zinc/83/71/89/544837189.db2.gz KGNREZCTRUZVKW-UHFFFAOYSA-N 1 0 353.391 2.023 20 30 FEEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000552472203 674211233 /nfs/dbraw/zinc/21/12/33/674211233.db2.gz BNLVHESAZZDRKX-GFCCVEGCSA-N 1 0 367.902 2.269 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)C(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000552689087 674220287 /nfs/dbraw/zinc/22/02/87/674220287.db2.gz OCVAVWSCPBMPMX-MRXNPFEDSA-N 1 0 363.527 2.499 20 30 FEEDRO C[NH+](C)Cc1ccsc1C(=O)N1CCN(c2cnccc2C#N)CC1 ZINC000553357270 674255294 /nfs/dbraw/zinc/25/52/94/674255294.db2.gz KWZILNDMRZOALO-UHFFFAOYSA-N 1 0 355.467 2.039 20 30 FEEDRO COC(=O)[C@@H]1CCCC[C@@]1(C)[NH2+]CCS(=O)(=O)c1cccc(C#N)c1 ZINC000553661341 674277910 /nfs/dbraw/zinc/27/79/10/674277910.db2.gz UNWQDZXEHNBDKP-FUHWJXTLSA-N 1 0 364.467 2.043 20 30 FEEDRO CCOCC[NH+]1CCN(Cc2ccc(C#N)cc2Br)CC1 ZINC000181094450 327715792 /nfs/dbraw/zinc/71/57/92/327715792.db2.gz PKRAEXNXCBCYNE-UHFFFAOYSA-N 1 0 352.276 2.475 20 30 FEEDRO CC(C)CN1CCO[C@@H](C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)C1 ZINC000181411784 327729280 /nfs/dbraw/zinc/72/92/80/327729280.db2.gz GHSXWXQKZWITIO-QFIPXVFZSA-N 1 0 370.541 2.469 20 30 FEEDRO Cc1c([C@H](C)[NH2+]CC(=O)Nc2c(C#N)cnn2-c2ccccc2)cnn1C ZINC000183421092 327816706 /nfs/dbraw/zinc/81/67/06/327816706.db2.gz LMYRIIWUJMBHOK-ZDUSSCGKSA-N 1 0 363.425 2.075 20 30 FEEDRO N#Cc1c(NC(=O)C[NH2+][C@@H]2CCCC[C@@H]2C(N)=O)sc2c1CCCCC2 ZINC000184817272 327884211 /nfs/dbraw/zinc/88/42/11/327884211.db2.gz VNSIWKDJKXMTLU-DZGCQCFKSA-N 1 0 374.510 2.461 20 30 FEEDRO C[C@@H](NC(=O)CC(C)(C)C)C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000188731009 328107233 /nfs/dbraw/zinc/10/72/33/328107233.db2.gz NZWWQDOONVQHPW-MRXNPFEDSA-N 1 0 372.513 2.389 20 30 FEEDRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)c2cccc(F)c2C#N)CC1 ZINC000188875489 328115367 /nfs/dbraw/zinc/11/53/67/328115367.db2.gz XXJLQYLULYGXSL-IYBDPMFKSA-N 1 0 358.461 2.328 20 30 FEEDRO CC[NH+](CC)CCCNC(=O)C1CCN(c2ccc(C)c(C#N)n2)CC1 ZINC000189670444 328161241 /nfs/dbraw/zinc/16/12/41/328161241.db2.gz KXSAKXUSUNKQOD-UHFFFAOYSA-N 1 0 357.502 2.326 20 30 FEEDRO N#Cc1ccc(Br)c(CN2CCN(c3cnccn3)CC2)c1 ZINC000191777987 328281074 /nfs/dbraw/zinc/28/10/74/328281074.db2.gz PYVWXIALNVMCKK-UHFFFAOYSA-N 1 0 358.243 2.433 20 30 FEEDRO C[C@H](C(=O)NC1CCCC1)N1CCN(Cc2ccc(C#N)c(F)c2)CC1 ZINC000191994359 328292395 /nfs/dbraw/zinc/29/23/95/328292395.db2.gz YJGZZDIPPMRPOZ-OAHLLOKOSA-N 1 0 358.461 2.262 20 30 FEEDRO N#Cc1ccc(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1O ZINC000192231103 328308053 /nfs/dbraw/zinc/30/80/53/328308053.db2.gz FYFLVOARQVHKHE-IBGZPJMESA-N 1 0 365.433 2.285 20 30 FEEDRO CCO[C@@H]1C[C@](CO)([NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1(C)C ZINC000192805242 328340526 /nfs/dbraw/zinc/34/05/26/328340526.db2.gz PXCANAUQYJCAET-DBXWQHBBSA-N 1 0 371.481 2.209 20 30 FEEDRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000193163353 328360586 /nfs/dbraw/zinc/36/05/86/328360586.db2.gz SSVYHPWLJWCETD-MRXNPFEDSA-N 1 0 373.501 2.386 20 30 FEEDRO Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+](CC3CCC3)C(C)C)CC2)o1 ZINC000193201036 328362120 /nfs/dbraw/zinc/36/21/20/328362120.db2.gz IWATZZOLTXQPBJ-UHFFFAOYSA-N 1 0 359.474 2.014 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)Cc2cn(C)c3ccccc23)c1C#N ZINC000089676606 325326854 /nfs/dbraw/zinc/32/68/54/325326854.db2.gz CWVWSIAEPIVZJL-UHFFFAOYSA-N 1 0 350.426 2.106 20 30 FEEDRO N#Cc1cc(Br)cc(S(=O)(=O)NCC2([NH3+])CCCCC2)c1 ZINC000237845500 328531098 /nfs/dbraw/zinc/53/10/98/328531098.db2.gz MTABDQIGTZYEDF-UHFFFAOYSA-N 1 0 372.288 2.261 20 30 FEEDRO CC(C)[C@H](C(=O)N1CCN(c2ncccc2C#N)CC1)[NH+]1CCCCC1 ZINC000104221237 325534527 /nfs/dbraw/zinc/53/45/27/325534527.db2.gz NBIOACUWBGUYHO-GOSISDBHSA-N 1 0 355.486 2.112 20 30 FEEDRO CC[NH+]1CCN([C@@H]2CCN(C(=O)CSCc3ccc(C#N)cc3)C2)CC1 ZINC000106798711 325610606 /nfs/dbraw/zinc/61/06/06/325610606.db2.gz GEDXITUGMITHGD-LJQANCHMSA-N 1 0 372.538 2.030 20 30 FEEDRO Cc1ccc(C#N)cc1S(=O)(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000114737640 325919361 /nfs/dbraw/zinc/91/93/61/325919361.db2.gz DMUAPUONKODPKJ-SFHVURJKSA-N 1 0 357.479 2.318 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Cc1cn2ccccc2n1 ZINC000117250082 326053576 /nfs/dbraw/zinc/05/35/76/326053576.db2.gz YZHRDJDDELHLGQ-UHFFFAOYSA-N 1 0 361.449 2.339 20 30 FEEDRO CC(C)Oc1ccc(NC(=O)C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)cc1C#N ZINC000119168751 326133558 /nfs/dbraw/zinc/13/35/58/326133558.db2.gz RNBZTZMJXGYTGJ-NVXWUHKLSA-N 1 0 372.469 2.273 20 30 FEEDRO CC[N@H+](CC(=O)N1CCN(c2oc(C)nc2C#N)CC1)[C@@H]1CCCC[C@@H]1C ZINC000120152096 326235254 /nfs/dbraw/zinc/23/52/54/326235254.db2.gz PJPVJNOTSNERMA-MAUKXSAKSA-N 1 0 373.501 2.404 20 30 FEEDRO COc1cc(C#N)ccc1C[NH+]1CCC(NC(=O)C2CCOCC2)CC1 ZINC000120906575 326298174 /nfs/dbraw/zinc/29/81/74/326298174.db2.gz IVWYZJUOAJLCMX-UHFFFAOYSA-N 1 0 357.454 2.074 20 30 FEEDRO CCC[C@@H]1CN(CCOc2ccc(C#N)cc2OC)CC[N@@H+]1CCOC ZINC000121958650 326378352 /nfs/dbraw/zinc/37/83/52/326378352.db2.gz QLQQIBGPIHHFKR-GOSISDBHSA-N 1 0 361.486 2.378 20 30 FEEDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)C1 ZINC000122028845 326381147 /nfs/dbraw/zinc/38/11/47/326381147.db2.gz BMPSOCAVYGNRLA-WBMJQRKESA-N 1 0 360.845 2.093 20 30 FEEDRO CC(C)([NH2+]C[C@@H](O)COc1ccc(C#N)cc1)C(=O)NCC1CCCCC1 ZINC000155250560 326782480 /nfs/dbraw/zinc/78/24/80/326782480.db2.gz UEDFHYIJWQCNDY-GOSISDBHSA-N 1 0 373.497 2.363 20 30 FEEDRO C[NH+](C)CC[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)C(C)(C)C ZINC000157656202 326871215 /nfs/dbraw/zinc/87/12/15/326871215.db2.gz HRBXNDKUWJJYPQ-OAHLLOKOSA-N 1 0 368.459 2.111 20 30 FEEDRO N#Cc1ccccc1OCC(=O)NC1CC[NH+](Cc2cccnc2)CC1 ZINC000172244044 327189356 /nfs/dbraw/zinc/18/93/56/327189356.db2.gz CDYGFPIHMDCQLG-UHFFFAOYSA-N 1 0 350.422 2.113 20 30 FEEDRO COCC[N@H+](CCn1cnc2ccccc2c1=O)Cc1ccc(C#N)cc1 ZINC000172245734 327189610 /nfs/dbraw/zinc/18/96/10/327189610.db2.gz SIWWCPONYVBMSZ-UHFFFAOYSA-N 1 0 362.433 2.417 20 30 FEEDRO Cc1oc(NC(=O)[C@H](C)N2CC[NH+](CC3CCOCC3)CC2)c(C#N)c1C ZINC000172428751 327201398 /nfs/dbraw/zinc/20/13/98/327201398.db2.gz PNSGEOGCEDWXLF-HNNXBMFYSA-N 1 0 374.485 2.139 20 30 FEEDRO Cc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000172647310 327213299 /nfs/dbraw/zinc/21/32/99/327213299.db2.gz GAKIQYIKBIKSFG-QGZVFWFLSA-N 1 0 354.454 2.282 20 30 FEEDRO N#Cc1cc(NC(=O)C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)ccc1Cl ZINC000173341393 327250947 /nfs/dbraw/zinc/25/09/47/327250947.db2.gz URXZTNOLONYVSC-CQSZACIVSA-N 1 0 374.872 2.485 20 30 FEEDRO Cc1nn(C)c(C)c1CNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000173488904 327260923 /nfs/dbraw/zinc/26/09/23/327260923.db2.gz CXDROVGMGZCHIF-UHFFFAOYSA-N 1 0 368.485 2.182 20 30 FEEDRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)C1 ZINC000173597459 327269790 /nfs/dbraw/zinc/26/97/90/327269790.db2.gz RWQZCWYERCTBMX-OAHLLOKOSA-N 1 0 366.469 2.130 20 30 FEEDRO CC[C@]1(C)CCC[N@H+](CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C1 ZINC000173779331 327283570 /nfs/dbraw/zinc/28/35/70/327283570.db2.gz VLVXKQCHMQARMO-LJQANCHMSA-N 1 0 359.474 2.015 20 30 FEEDRO C[C@H]([NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(C#N)cc1 ZINC000174105248 327306635 /nfs/dbraw/zinc/30/66/35/327306635.db2.gz KTGAHBJZICDQBE-ZDUSSCGKSA-N 1 0 374.422 2.096 20 30 FEEDRO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000174178613 327310981 /nfs/dbraw/zinc/31/09/81/327310981.db2.gz FHMYXBQSBLLGHV-FXAWDEMLSA-N 1 0 371.481 2.142 20 30 FEEDRO Cc1ccc(S(=O)(=O)N2CCC([NH2+]Cc3ccc(C#N)o3)CC2)cc1 ZINC000174260334 327315810 /nfs/dbraw/zinc/31/58/10/327315810.db2.gz RAZSQMUORCVUDQ-UHFFFAOYSA-N 1 0 359.451 2.403 20 30 FEEDRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2ccc(OC)c(C#N)c2)cc1 ZINC000174300788 327318140 /nfs/dbraw/zinc/31/81/40/327318140.db2.gz BBXMVJJZCKYSBT-ZDUSSCGKSA-N 1 0 359.451 2.326 20 30 FEEDRO COc1ccc(C[NH2+]CC[C@@](O)(c2nccn2C)C(F)(F)F)cc1C#N ZINC000174298691 327318280 /nfs/dbraw/zinc/31/82/80/327318280.db2.gz YNSGHMHZROYZKD-MRXNPFEDSA-N 1 0 368.359 2.230 20 30 FEEDRO Cc1cccc(NC(=O)C(=O)N(CC[NH+](C)C)Cc2ccccc2)c1C#N ZINC000174704380 327344487 /nfs/dbraw/zinc/34/44/87/327344487.db2.gz MRUBKDWOXWTMJW-UHFFFAOYSA-N 1 0 364.449 2.396 20 30 FEEDRO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1CCN(c2ccccc2C#N)CC1 ZINC000175858988 327418018 /nfs/dbraw/zinc/41/80/18/327418018.db2.gz ICBBLYMQNKYDGN-FQEVSTJZSA-N 1 0 370.497 2.000 20 30 FEEDRO C[NH+](C)C1CCN(S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)CC1 ZINC000177628894 327534254 /nfs/dbraw/zinc/53/42/54/327534254.db2.gz PHOWOTYRXIXFLG-UHFFFAOYSA-N 1 0 361.389 2.292 20 30 FEEDRO Cc1c(C#N)cccc1NC(=O)C(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000178447445 327585792 /nfs/dbraw/zinc/58/57/92/327585792.db2.gz YONGAAYGGCRXIU-SFHVURJKSA-N 1 0 368.412 2.363 20 30 FEEDRO Cc1c(C#N)cccc1NC(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000178578378 327593325 /nfs/dbraw/zinc/59/33/25/327593325.db2.gz UYMGFKWMHXFEPU-UHFFFAOYSA-N 1 0 364.453 2.335 20 30 FEEDRO C[C@H](CNC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)[NH+](C)C ZINC000264638983 329043532 /nfs/dbraw/zinc/04/35/32/329043532.db2.gz YYOSBXMKIHNUSA-CQSZACIVSA-N 1 0 366.421 2.355 20 30 FEEDRO Cc1nc(C(=O)Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)cn2)ccc1C#N ZINC000269475398 329523818 /nfs/dbraw/zinc/52/38/18/329523818.db2.gz ZYQUUDSXQVMWID-MRXNPFEDSA-N 1 0 350.426 2.049 20 30 FEEDRO C[C@H](CCNC(=O)N1CCN(c2cc(C#N)ccn2)CC1)[NH+]1CCCCC1 ZINC000273539361 329872743 /nfs/dbraw/zinc/87/27/43/329872743.db2.gz STODLPUEXODDAG-QGZVFWFLSA-N 1 0 370.501 2.049 20 30 FEEDRO C[NH+](C)C1(CNS(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)CCC1 ZINC000275538874 330061159 /nfs/dbraw/zinc/06/11/59/330061159.db2.gz YXIJPOOABPDJDF-UHFFFAOYSA-N 1 0 361.389 2.340 20 30 FEEDRO COCCn1cc(C[NH2+][C@H]2CCCN(c3ccc(C#N)cc3F)C2)cn1 ZINC000361466678 330204659 /nfs/dbraw/zinc/20/46/59/330204659.db2.gz ZQVXWYVCMBGRMN-KRWDZBQOSA-N 1 0 357.433 2.299 20 30 FEEDRO N#Cc1cc(S(=O)(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)ccc1Cl ZINC000440846279 330276957 /nfs/dbraw/zinc/27/69/57/330276957.db2.gz MTYQNBZTIPNEPH-MRXNPFEDSA-N 1 0 353.875 2.364 20 30 FEEDRO C#C[C@@H](NC(=O)N[C@H]1CC[N@@H+](CCOC)C1)c1ccc(Cl)cc1F ZINC000805136226 674321808 /nfs/dbraw/zinc/32/18/08/674321808.db2.gz AWQYRMQCQOCMKJ-XJKSGUPXSA-N 1 0 353.825 2.173 20 30 FEEDRO CNC(=O)OC[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1sccc1C#N ZINC000805825399 674355823 /nfs/dbraw/zinc/35/58/23/674355823.db2.gz SZYJFKPSEIZDMF-ZDUSSCGKSA-N 1 0 350.444 2.159 20 30 FEEDRO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[NH+]1CCC(n2cncn2)CC1 ZINC000156560437 545635738 /nfs/dbraw/zinc/63/57/38/545635738.db2.gz OTSGZZWGJDERNB-HNNXBMFYSA-N 1 0 370.432 2.389 20 30 FEEDRO N#Cc1cccc(OCCC[N@@H+](CC(=O)N2CCCC2)C[C@H]2CCCO2)c1 ZINC000156590834 545638181 /nfs/dbraw/zinc/63/81/81/545638181.db2.gz HBTITVTTYZKSME-HXUWFJFHSA-N 1 0 371.481 2.431 20 30 FEEDRO C=CCN(C[C@H](O)c1ccccc1Br)[C@@H]1CCS(=O)(=O)C1 ZINC000157254027 545720374 /nfs/dbraw/zinc/72/03/74/545720374.db2.gz XQQOPCRWFOVXPC-DOMZBBRYSA-N 1 0 374.300 2.158 20 30 FEEDRO N#Cc1cc(F)ccc1S(=O)(=O)N1CCC[C@@H]([NH+]2CCCCC2)C1 ZINC000157362728 545732618 /nfs/dbraw/zinc/73/26/18/545732618.db2.gz CTGXVGJAPNOKHN-MRXNPFEDSA-N 1 0 351.447 2.336 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccn(CCC(C)C)n2)CC1 ZINC000158855000 545901181 /nfs/dbraw/zinc/90/11/81/545901181.db2.gz ZLGPNVQTKKNOJD-UHFFFAOYSA-N 1 0 361.490 2.024 20 30 FEEDRO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+](CC)CC1CCN(c2ccccn2)CC1 ZINC000160043998 546002965 /nfs/dbraw/zinc/00/29/65/546002965.db2.gz PZAJYZPLBYNNDX-MRXNPFEDSA-N 1 0 373.501 2.020 20 30 FEEDRO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)Nc1ccc(OC(C)C)c(C#N)c1 ZINC000160169451 546013998 /nfs/dbraw/zinc/01/39/98/546013998.db2.gz ZZWGVEFHRJJSJB-CQSZACIVSA-N 1 0 360.458 2.130 20 30 FEEDRO C=CCc1cc(C(=O)NC[C@H](O)C[NH+]2CCCCC2)cc(OC)c1OC ZINC000160197674 546017127 /nfs/dbraw/zinc/01/71/27/546017127.db2.gz ZRQFYTSHZBBPNS-KRWDZBQOSA-N 1 0 362.470 2.009 20 30 FEEDRO N#Cc1cccc(/C=C/C(=O)NC[C@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)c1 ZINC000160588235 546054976 /nfs/dbraw/zinc/05/49/76/546054976.db2.gz MIQAVCYYQOYODJ-XMHHWPDXSA-N 1 0 361.445 2.323 20 30 FEEDRO CCc1ccccc1N1C[C@@H](C(=O)N(CCC#N)CCC[NH+](C)C)CC1=O ZINC000170814140 546178578 /nfs/dbraw/zinc/17/85/78/546178578.db2.gz PHFDZSYOHGJQJY-SFHVURJKSA-N 1 0 370.497 2.296 20 30 FEEDRO COc1ccccc1CNC(=[NH2+])NCc1ccccc1CN1CCCC1=O ZINC000170912124 546182929 /nfs/dbraw/zinc/18/29/29/546182929.db2.gz AWPRHVGXCYTXEP-UHFFFAOYSA-N 1 0 366.465 2.422 20 30 FEEDRO C=CCSCCNC(=O)N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000171258358 546200413 /nfs/dbraw/zinc/20/04/13/546200413.db2.gz NJSPFJGXCYOXKS-HZPDHXFCSA-N 1 0 355.548 2.436 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)[C@H](NC(=O)Cc2ccccc2)C(C)C)CC1 ZINC000171723449 546221532 /nfs/dbraw/zinc/22/15/32/546221532.db2.gz PKMWEEJUEIISGP-HXUWFJFHSA-N 1 0 357.498 2.137 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N2CCN(Cc3ccccc3C)CC2)CC1 ZINC000171736852 546222698 /nfs/dbraw/zinc/22/26/98/546222698.db2.gz RZUAINFUFAEEQK-UHFFFAOYSA-N 1 0 356.514 2.473 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccc(CN3CCOC3=O)cc2)CC1 ZINC000171739760 546223572 /nfs/dbraw/zinc/22/35/72/546223572.db2.gz CGMUVWTZJKMZIZ-UHFFFAOYSA-N 1 0 358.442 2.411 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccc(N3C(=O)CCC3=O)c(C)c2)CC1 ZINC000171864455 546228444 /nfs/dbraw/zinc/22/84/44/546228444.db2.gz IPLKLNXYGZHOIK-UHFFFAOYSA-N 1 0 370.453 2.420 20 30 FEEDRO C[NH+]=C(NCC[C@@H]1c2ccccc2NC1=O)NCc1ccc2c(c1)OCO2 ZINC000172123161 546237188 /nfs/dbraw/zinc/23/71/88/546237188.db2.gz YBJDKSMDTKDJIY-OAHLLOKOSA-N 1 0 366.421 2.206 20 30 FEEDRO Cc1nn(-c2ccccc2)c(C)c1C[NH2+]CCNC(=O)C1N=CC=CC1=O ZINC000172124595 546237257 /nfs/dbraw/zinc/23/72/57/546237257.db2.gz PENSQONHIAOXPQ-VXPUYCOJSA-N 1 0 365.437 2.105 20 30 FEEDRO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)Nc1ccn(CCC#N)n1 ZINC000173380211 546280455 /nfs/dbraw/zinc/28/04/55/546280455.db2.gz MMBVRGPKFMLCLS-WBVHZDCISA-N 1 0 367.457 2.224 20 30 FEEDRO CN(CCC#N)c1ccc(C[NH2+][C@@H]2CCCN(c3ccn(C)n3)C2=O)cc1 ZINC000174588017 546300505 /nfs/dbraw/zinc/30/05/05/546300505.db2.gz MGNPFWHQCPTKTN-GOSISDBHSA-N 1 0 366.469 2.055 20 30 FEEDRO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@H](CC(N)=O)C2)c1C ZINC000175201523 546307092 /nfs/dbraw/zinc/30/70/92/546307092.db2.gz QIPOFTNVUBNZRN-QGZVFWFLSA-N 1 0 356.470 2.138 20 30 FEEDRO Cc1ccc(CNC(=O)C2CC[NH+]([C@@H](C)C(=O)N(C)CCC#N)CC2)cc1 ZINC000175323567 546308824 /nfs/dbraw/zinc/30/88/24/546308824.db2.gz GAQLVTOANKDGOE-KRWDZBQOSA-N 1 0 370.497 2.084 20 30 FEEDRO N#Cc1ccc(C[NH2+]CCCCN2C(=O)NC3(CCCC3)C2=O)c(F)c1 ZINC000479881992 561198721 /nfs/dbraw/zinc/19/87/21/561198721.db2.gz JNBHEKSBUOFQFY-UHFFFAOYSA-N 1 0 358.417 2.432 20 30 FEEDRO C[NH+](C)CCN(Cc1ccccc1)C(=O)C(=O)Nc1ccc(F)cc1C#N ZINC000175957335 546379965 /nfs/dbraw/zinc/37/99/65/546379965.db2.gz QQTOLGSPXYXAFF-UHFFFAOYSA-N 1 0 368.412 2.226 20 30 FEEDRO CC[N@H+](C)Cc1cccc(CNC(=O)C(=O)Nc2ccc(F)cc2C#N)c1 ZINC000175992261 546386292 /nfs/dbraw/zinc/38/62/92/546386292.db2.gz MURCERMSXOSCBI-UHFFFAOYSA-N 1 0 368.412 2.404 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCN([C@@H](C)C(F)(F)F)CC2)CC1 ZINC000176154208 546414563 /nfs/dbraw/zinc/41/45/63/546414563.db2.gz KNFLESWVSFDALB-AWEZNQCLSA-N 1 0 362.440 2.305 20 30 FEEDRO C[C@@H]1CN(Cc2ccccc2CNC(=O)c2cc(C#N)cn2C)C[C@@H](C)O1 ZINC000176738644 546481402 /nfs/dbraw/zinc/48/14/02/546481402.db2.gz NZAZYULNCARCJW-HZPDHXFCSA-N 1 0 366.465 2.436 20 30 FEEDRO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)/C=C/c2ccc(OCC#N)cc2)CC1 ZINC000177443405 546619814 /nfs/dbraw/zinc/61/98/14/546619814.db2.gz YMXYRUSOWAZVHO-ZGRWHYIRSA-N 1 0 371.481 2.153 20 30 FEEDRO CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000177591455 546650508 /nfs/dbraw/zinc/65/05/08/546650508.db2.gz MLUBFLONHPFBMN-AEFFLSMTSA-N 1 0 351.491 2.045 20 30 FEEDRO C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 ZINC000177738817 546677251 /nfs/dbraw/zinc/67/72/51/546677251.db2.gz WOJNAGLEVKGGFI-KRWDZBQOSA-N 1 0 356.470 2.241 20 30 FEEDRO C=CCC[C@H](O)C[NH+]1CCN(Cc2nc(-c3ccc(OC)cc3)no2)CC1 ZINC000178043023 546728460 /nfs/dbraw/zinc/72/84/60/546728460.db2.gz OEBAVZZNFCJVAU-KRWDZBQOSA-N 1 0 372.469 2.190 20 30 FEEDRO C=CCN(Cc1ccccc1)C(=O)C(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000481132560 561225883 /nfs/dbraw/zinc/22/58/83/561225883.db2.gz XKEVSYTVPAMXTM-ZWKOTPCHSA-N 1 0 357.498 2.438 20 30 FEEDRO N#CCc1cccc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2CO)c1 ZINC000178441297 546794979 /nfs/dbraw/zinc/79/49/79/546794979.db2.gz UAKHJLJEPZRDOF-NHCUHLMSSA-N 1 0 363.461 2.365 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)NC[C@@H](O)c2ccc(Cl)c(F)c2)CC1 ZINC000179357073 546938825 /nfs/dbraw/zinc/93/88/25/546938825.db2.gz RJJWMTWQDPVUOJ-MRXNPFEDSA-N 1 0 355.841 2.462 20 30 FEEDRO N#Cc1ccccc1/C=C/C(=O)NC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000179486161 546963382 /nfs/dbraw/zinc/96/33/82/546963382.db2.gz AEFLCALIIUISLQ-VRDGUJSXSA-N 1 0 361.445 2.323 20 30 FEEDRO CC(C)[C@H](Oc1ccccc1C#N)C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000482018680 561247508 /nfs/dbraw/zinc/24/75/08/561247508.db2.gz STLXOGJGVAKMKD-FQEVSTJZSA-N 1 0 372.513 2.104 20 30 FEEDRO C[C@@H]([NH2+]CC(=O)N[C@](C)(C#N)C1CC1)c1ccc(NC(=O)C2CC2)cc1 ZINC000179760845 547009713 /nfs/dbraw/zinc/00/97/13/547009713.db2.gz CIAHXFOXGYSMFR-ZUOKHONESA-N 1 0 354.454 2.494 20 30 FEEDRO COc1ccc(C[N@H+](CC(=O)N[C@@](C)(C#N)C2CC2)[C@H](CO)C(C)C)cc1 ZINC000179926742 547030039 /nfs/dbraw/zinc/03/00/39/547030039.db2.gz AZWBHYKGOFQMNK-CTNGQTDRSA-N 1 0 373.497 2.323 20 30 FEEDRO CC(C)[C@H](CNC(=O)Nc1ccccc1O[C@@H](C)C#N)[NH+]1CCN(C)CC1 ZINC000180081912 547048505 /nfs/dbraw/zinc/04/85/05/547048505.db2.gz NTOFQUJCDSLQRE-WMZOPIPTSA-N 1 0 373.501 2.371 20 30 FEEDRO C[C@@H](NC(=O)C(=O)Nc1ccc(C#N)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000180405858 547102668 /nfs/dbraw/zinc/10/26/68/547102668.db2.gz UAGUBZPGFRKHKX-GDBMZVCRSA-N 1 0 354.454 2.266 20 30 FEEDRO C[C@@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1cccc(OC(F)F)c1 ZINC000180875618 547199914 /nfs/dbraw/zinc/19/99/14/547199914.db2.gz DUTACGZXXGRHAK-YZSSSTSJSA-N 1 0 351.353 2.465 20 30 FEEDRO CCN(CCC#N)C(=O)C[N@@H+]1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000181286283 547286204 /nfs/dbraw/zinc/28/62/04/547286204.db2.gz NFFQOBQTQJQKAD-KRWDZBQOSA-N 1 0 366.469 2.413 20 30 FEEDRO C=CCNC(=O)CNC(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC000181729488 547369578 /nfs/dbraw/zinc/36/95/78/547369578.db2.gz AMQWMMCMRKQCBM-UHFFFAOYSA-N 1 0 351.450 2.351 20 30 FEEDRO CC[C@@H]([NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1)[C@@H]1CCCO1 ZINC000182355552 547478198 /nfs/dbraw/zinc/47/81/98/547478198.db2.gz MOAGXIFEOUIKKY-SJORKVTESA-N 1 0 353.426 2.230 20 30 FEEDRO CCCC(=O)N[C@@H]1CCCN([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000182735301 547543269 /nfs/dbraw/zinc/54/32/69/547543269.db2.gz VYXVJLPWKHJROV-IEBWSBKVSA-N 1 0 368.481 2.434 20 30 FEEDRO C[S@](=O)C[C@H]([NH2+]C[C@H](O)COc1ccc(C#N)cc1)c1ccccc1 ZINC000183122164 547605413 /nfs/dbraw/zinc/60/54/13/547605413.db2.gz UKELCVKGBXPLFW-KMEZTADASA-N 1 0 358.463 2.007 20 30 FEEDRO CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH2+][C@@H](Cc2ccccc2)C2CC2)CC1 ZINC000183402732 547652047 /nfs/dbraw/zinc/65/20/47/547652047.db2.gz CEHWCPSUTSTLKD-LEWJYISDSA-N 1 0 368.525 2.290 20 30 FEEDRO Cn1cc(C[NH2+]CCNC(=O)C2N=CC=CC2=O)c(C2CCCCC2)n1 ZINC000183758811 547714414 /nfs/dbraw/zinc/71/44/14/547714414.db2.gz ZBGANHZNOAKPAV-HNENSFHCSA-N 1 0 357.458 2.084 20 30 FEEDRO N#Cc1ccc(C[NH+]2CCC(NCc3nnc4n3CCCC4)CC2)cc1 ZINC000183868899 547731271 /nfs/dbraw/zinc/73/12/71/547731271.db2.gz QXMQJKCLAPCQHC-UHFFFAOYSA-N 1 0 350.470 2.240 20 30 FEEDRO CC(C)(C#N)CNC(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000484745306 561305157 /nfs/dbraw/zinc/30/51/57/561305157.db2.gz NECGLHTUCNICPW-UHFFFAOYSA-N 1 0 357.502 2.438 20 30 FEEDRO CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NS(=O)(=O)c1ccc(C#N)nc1 ZINC000184333604 547808986 /nfs/dbraw/zinc/80/89/86/547808986.db2.gz QKVGVEGRUOYACK-IBGZPJMESA-N 1 0 372.494 2.388 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCN(c3cccs3)C(=O)C2)CC1 ZINC000184590412 547851159 /nfs/dbraw/zinc/85/11/59/547851159.db2.gz DHJIGPZPLLWAHI-UHFFFAOYSA-N 1 0 362.499 2.147 20 30 FEEDRO C[C@H](CNC(=O)Nc1cnn(-c2ncccc2C#N)c1)C[NH+]1CCCCC1 ZINC000184606787 547853250 /nfs/dbraw/zinc/85/32/50/547853250.db2.gz CAKQVYVYVUXXBY-OAHLLOKOSA-N 1 0 367.457 2.382 20 30 FEEDRO COC(=O)c1coc(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)c1 ZINC000184860741 547888653 /nfs/dbraw/zinc/88/86/53/547888653.db2.gz RKRUWIDLIVKNAT-UHFFFAOYSA-N 1 0 355.394 2.142 20 30 FEEDRO CN(CC[N@H+](C)C1CC1)S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000185227991 547955344 /nfs/dbraw/zinc/95/53/44/547955344.db2.gz QHSTWCGEQOXZOP-UHFFFAOYSA-N 1 0 361.389 2.292 20 30 FEEDRO CCN(CCC#N)C(=O)C[NH2+][C@@H](C)c1c(C)nn(CC(F)(F)F)c1C ZINC000185655602 548015776 /nfs/dbraw/zinc/01/57/76/548015776.db2.gz DDUIRNJGKIZSSM-NSHDSACASA-N 1 0 359.396 2.475 20 30 FEEDRO C#CCOc1ccccc1NC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000186798533 548195021 /nfs/dbraw/zinc/19/50/21/548195021.db2.gz IRESFNLPPMHNSW-UHFFFAOYSA-N 1 0 370.497 2.379 20 30 FEEDRO C#CCOc1ccccc1NC(=O)C(=O)NCCC[NH+]1CCCCCC1 ZINC000187142978 548252035 /nfs/dbraw/zinc/25/20/35/548252035.db2.gz AYNXQUDJEUVZEB-UHFFFAOYSA-N 1 0 357.454 2.019 20 30 FEEDRO C#CCOc1ccccc1NC(=O)C(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000187347416 548256409 /nfs/dbraw/zinc/25/64/09/548256409.db2.gz UEEZSFPBCOURNN-KRWDZBQOSA-N 1 0 371.481 2.265 20 30 FEEDRO C[NH+](C)[C@H](CNC(=O)N1CCO[C@H](C#N)C1)c1cccc(C(F)(F)F)c1 ZINC000187468238 548256995 /nfs/dbraw/zinc/25/69/95/548256995.db2.gz QYZNUZCFMQBMMP-HUUCEWRRSA-N 1 0 370.375 2.242 20 30 FEEDRO C=C(C)[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(F)c(F)c1 ZINC000187755230 548262515 /nfs/dbraw/zinc/26/25/15/548262515.db2.gz UAECMWXPPBISIK-XJKSGUPXSA-N 1 0 352.341 2.337 20 30 FEEDRO COCCO[C@H]1CC[N@@H+]([C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1 ZINC000189659389 548308320 /nfs/dbraw/zinc/30/83/20/548308320.db2.gz LZYRYQFDOCYBPO-ISXWCOSWSA-N 1 0 351.491 2.043 20 30 FEEDRO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000190074180 548316558 /nfs/dbraw/zinc/31/65/58/548316558.db2.gz AWTGBWBJXOOBJC-RHSMWYFYSA-N 1 0 354.454 2.121 20 30 FEEDRO CCn1nccc1N1CCC[C@@H]([NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)C1=O ZINC000191642546 548348197 /nfs/dbraw/zinc/34/81/97/548348197.db2.gz PPZWDBIZCHWQRN-MAUKXSAKSA-N 1 0 367.453 2.479 20 30 FEEDRO C=CCN(CC=C)C(=O)C[NH2+][C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1 ZINC000192156776 548360010 /nfs/dbraw/zinc/36/00/10/548360010.db2.gz UNBBISJWWUNFQT-APWZRJJASA-N 1 0 361.873 2.402 20 30 FEEDRO Cc1ccc(C#N)cc1NC(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000194585468 548501241 /nfs/dbraw/zinc/50/12/41/548501241.db2.gz XEYNICKAJSIUPR-UHFFFAOYSA-N 1 0 355.486 2.358 20 30 FEEDRO C[N@@H+]1CCN(C[C@H](O)COc2ccc(C#N)cc2)[C@H](c2ccccc2)C1 ZINC000194732112 548522460 /nfs/dbraw/zinc/52/24/60/548522460.db2.gz JQCOBZZZVHTLHV-FPOVZHCZSA-N 1 0 351.450 2.287 20 30 FEEDRO CCCCCCCS(=O)(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000195103429 548577142 /nfs/dbraw/zinc/57/71/42/548577142.db2.gz FARBITPBHYYHOR-UHFFFAOYSA-N 1 0 368.547 2.223 20 30 FEEDRO CC[NH+](CC)CCCNC(=O)C1CCN(c2ccc(C#N)c(C)n2)CC1 ZINC000487908170 561378565 /nfs/dbraw/zinc/37/85/65/561378565.db2.gz ACKBQENLLGFBTI-UHFFFAOYSA-N 1 0 357.502 2.326 20 30 FEEDRO N#Cc1ccc(N2CCC[C@@H]([N@@H+]3CCC[C@@H](CCC(N)=O)C3)C2=O)cc1 ZINC000245516024 548936940 /nfs/dbraw/zinc/93/69/40/548936940.db2.gz FKISOTVOHCMGHI-FUHWJXTLSA-N 1 0 354.454 2.031 20 30 FEEDRO N#Cc1ccc(N2CCC[C@@H]([N@@H+]3CCC[C@@H](C4OCCO4)C3)C2=O)cc1 ZINC000245532558 548940742 /nfs/dbraw/zinc/94/07/42/548940742.db2.gz USZUPTUWCNGAQH-SJLPKXTDSA-N 1 0 355.438 2.139 20 30 FEEDRO N#Cc1cccc(NC(=O)NC[C@@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)c1 ZINC000245545333 548942796 /nfs/dbraw/zinc/94/27/96/548942796.db2.gz CFMMAJFIGAVFFC-RBUKOAKNSA-N 1 0 350.422 2.315 20 30 FEEDRO N#Cc1ccc(NC(=O)CC[N@@H+]2CC[C@@H]3[C@@H](CCC(=O)N3C3CC3)C2)cc1 ZINC000245582478 548951494 /nfs/dbraw/zinc/95/14/94/548951494.db2.gz CYUHXLORCFLQCH-QFBILLFUSA-N 1 0 366.465 2.362 20 30 FEEDRO CO[C@@H]1CC[C@@H]2OCCN(CC(=O)Nc3ccc(C#N)c(Cl)c3)[C@H]2C1 ZINC000246074460 549046937 /nfs/dbraw/zinc/04/69/37/549046937.db2.gz BTYHBOFAJIFRTF-PVAVHDDUSA-N 1 0 363.845 2.418 20 30 FEEDRO C[C@@H]1CN(C[C@H]2CCC[N@@H+]2CCC(=O)Nc2ccccc2C#N)C[C@@H](C)O1 ZINC000246090617 549049979 /nfs/dbraw/zinc/04/99/79/549049979.db2.gz GGKMXPJMHGUNHI-ZHALLVOQSA-N 1 0 370.497 2.460 20 30 FEEDRO C=CCc1ccccc1OC[C@H](O)CN1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC000488708919 561394912 /nfs/dbraw/zinc/39/49/12/561394912.db2.gz ACKNWRZPFFJRIM-WIYYLYMNSA-N 1 0 374.525 2.340 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CCC[C@H]([S@](=O)CC)C2)CC1 ZINC000246778113 549210271 /nfs/dbraw/zinc/21/02/71/549210271.db2.gz ZDVGKTDBIKUXOB-XVTZWQNCSA-N 1 0 355.548 2.406 20 30 FEEDRO C[N@@H+]1CCC[C@H]2CN(S(=O)(=O)c3ccc(C#N)c(Cl)c3)CC[C@H]21 ZINC000246832742 549224618 /nfs/dbraw/zinc/22/46/18/549224618.db2.gz BTOPUOIAJNHKPN-XJKSGUPXSA-N 1 0 353.875 2.316 20 30 FEEDRO CC(=O)N1CC[C@H](C[N@@H+](C)[C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000246894277 549237778 /nfs/dbraw/zinc/23/77/78/549237778.db2.gz RIPVYZQVGQJEGZ-TZMCWYRMSA-N 1 0 362.861 2.339 20 30 FEEDRO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](OCCCc2ccccc2)C1 ZINC000246984306 549257911 /nfs/dbraw/zinc/25/79/11/549257911.db2.gz JRQQFSXLHZLUNI-SJLPKXTDSA-N 1 0 359.470 2.110 20 30 FEEDRO C[NH+](C)CCN(Cc1ccccc1)S(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000489039395 561402036 /nfs/dbraw/zinc/40/20/36/561402036.db2.gz JBPIHEFROQUZPW-UHFFFAOYSA-N 1 0 361.442 2.450 20 30 FEEDRO CC(C)[C@@H]1CN(C(=O)CCCC(=O)Nc2ccccc2C#N)CC[N@@H+]1C ZINC000489372090 561409273 /nfs/dbraw/zinc/40/92/73/561409273.db2.gz KXEZWJUMCHTBJA-SFHVURJKSA-N 1 0 356.470 2.466 20 30 FEEDRO C=CC[C@H](CO)NC(=O)NCc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000248577674 549461994 /nfs/dbraw/zinc/46/19/94/549461994.db2.gz NUQYFJRDRXPPKW-TXPKVOOTSA-N 1 0 361.486 2.032 20 30 FEEDRO Cc1ncc(S(=O)(=O)N[C@H](C)[C@@H](c2ccccc2)[NH+](C)C)cc1C#N ZINC000489614818 561415574 /nfs/dbraw/zinc/41/55/74/561415574.db2.gz WUVKMCOQVREJDY-KDOFPFPSSA-N 1 0 358.467 2.231 20 30 FEEDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)C1 ZINC000249117914 549555561 /nfs/dbraw/zinc/55/55/61/549555561.db2.gz BMPSOCAVYGNRLA-BLLLJJGKSA-N 1 0 360.845 2.093 20 30 FEEDRO CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000250485326 549642830 /nfs/dbraw/zinc/64/28/30/549642830.db2.gz KVOUWBUQTCPQMC-YTQUADARSA-N 1 0 373.497 2.315 20 30 FEEDRO C=CCOc1cccc(NC(=O)C(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000250671163 549643921 /nfs/dbraw/zinc/64/39/21/549643921.db2.gz XHJAYNZGPCFRHK-CVEARBPZSA-N 1 0 359.470 2.427 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Cc1c(C)[nH]c2ccnn2c1=O)C(C)C ZINC000253542555 549692895 /nfs/dbraw/zinc/69/28/95/549692895.db2.gz DVOBNOBRRJDJFK-QGZVFWFLSA-N 1 0 371.485 2.101 20 30 FEEDRO C[NH+]=C(NCc1coc(-c2ccc(C)cc2)n1)N1CCC[C@@H](CC(N)=O)C1 ZINC000261671287 549741574 /nfs/dbraw/zinc/74/15/74/549741574.db2.gz CAUKSMNITJKLDP-HNNXBMFYSA-N 1 0 369.469 2.313 20 30 FEEDRO C[NH+]=C(N[C@@H]1C[C@@H]1Cc1ccccc1)N1CCO[C@H](c2cnn(C)c2)C1 ZINC000261754235 549751358 /nfs/dbraw/zinc/75/13/58/549751358.db2.gz MDWQXRFPFUSTJO-UHOSZYNNSA-N 1 0 353.470 2.000 20 30 FEEDRO CC[S@](=O)[C@H]1CCC[C@H](NC(NCc2ccc(O)c(F)c2)=[NH+]C)C1 ZINC000261823619 549759446 /nfs/dbraw/zinc/75/94/46/549759446.db2.gz USDKDONVRMMVNC-XACMVJRISA-N 1 0 355.479 2.276 20 30 FEEDRO CC[S@](=O)[C@H]1CCC[C@@H](NC(NCc2cn3ccccc3n2)=[NH+]C)C1 ZINC000261870956 549764151 /nfs/dbraw/zinc/76/41/51/549764151.db2.gz ZPLBCWKPMIVVJH-YHSMVDSJSA-N 1 0 361.515 2.079 20 30 FEEDRO CC[NH+]=C(NC[C@](C)(O)c1ccco1)N1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000261931041 549771417 /nfs/dbraw/zinc/77/14/17/549771417.db2.gz BIOZPSMARGNFAK-MDZRGWNJSA-N 1 0 359.474 2.232 20 30 FEEDRO [NH2+]=C(NC[C@@]1(N2CCOCC2)CCSC1)Nc1ccc2c(c1)CCC2 ZINC000261976264 549776215 /nfs/dbraw/zinc/77/62/15/549776215.db2.gz GCNGDBUFAMWDQG-IBGZPJMESA-N 1 0 360.527 2.110 20 30 FEEDRO [NH2+]=C(NC[C@@H]1CCCS(=O)(=O)C1)Nc1ccccc1OC(F)(F)F ZINC000262247006 549802126 /nfs/dbraw/zinc/80/21/26/549802126.db2.gz BLCLWBVPYAXLNU-JTQLQIEISA-N 1 0 365.377 2.137 20 30 FEEDRO CN(C)C(=O)C[NH+]=C(NCc1cccs1)N[C@@H]1CCOc2ccccc21 ZINC000262282870 549806496 /nfs/dbraw/zinc/80/64/96/549806496.db2.gz XCJLLHRPVSFGRV-MRXNPFEDSA-N 1 0 372.494 2.395 20 30 FEEDRO C[NH+]=C(NCc1cc(C)cc2c(C)c(C)[nH]c21)NC[C@H](O)c1cnn(C)c1 ZINC000262319694 549810220 /nfs/dbraw/zinc/81/02/20/549810220.db2.gz CJIVANJNAJJFQP-SFHVURJKSA-N 1 0 368.485 2.225 20 30 FEEDRO C[C@@H](NC(=[NH+]CC(=O)N(C)C)N1CCC2(C1)CCOCC2)c1ccccc1 ZINC000262334442 549811799 /nfs/dbraw/zinc/81/17/99/549811799.db2.gz VRKPQWWKIJFHAP-QGZVFWFLSA-N 1 0 372.513 2.284 20 30 FEEDRO Cc1ccc(CNC(NC[C@@H]2CCS(=O)(=O)C2)=[NH+]C(C)C)c(C)c1 ZINC000262339478 549812447 /nfs/dbraw/zinc/81/24/47/549812447.db2.gz CIKKZIHSZDGATD-INIZCTEOSA-N 1 0 351.516 2.182 20 30 FEEDRO CC(C)C(=O)NC[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000263660539 549914819 /nfs/dbraw/zinc/91/48/19/549914819.db2.gz AUCWZFXJIMDDQU-KRWDZBQOSA-N 1 0 356.470 2.371 20 30 FEEDRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)CNC(=O)c1ccc(C#N)cc1 ZINC000263775076 549935158 /nfs/dbraw/zinc/93/51/58/549935158.db2.gz KRMGPNFUDLHSAL-INIZCTEOSA-N 1 0 356.470 2.059 20 30 FEEDRO COc1ccc(CNC(=[NH2+])NCCc2nc3ccccc3[nH]2)cc1OC ZINC000264055185 549973145 /nfs/dbraw/zinc/97/31/45/549973145.db2.gz ANLWCHZQSDNZND-UHFFFAOYSA-N 1 0 353.426 2.227 20 30 FEEDRO COc1ccc(CNC(=[NH2+])NCCCNC(=O)OC(C)(C)C)cc1OC ZINC000264054363 549973208 /nfs/dbraw/zinc/97/32/08/549973208.db2.gz AFNCQENMHWSPET-UHFFFAOYSA-N 1 0 366.462 2.023 20 30 FEEDRO CCCOc1ncccc1CNC(=[NH2+])NCc1ccc(OC)c(OC)c1 ZINC000264085387 549977260 /nfs/dbraw/zinc/97/72/60/549977260.db2.gz JEXGWJCYFNRASX-UHFFFAOYSA-N 1 0 358.442 2.492 20 30 FEEDRO COc1ccc(NC(=[NH2+])NCc2cccc(C(=O)N(C)C)c2)cc1OC ZINC000264106974 549979547 /nfs/dbraw/zinc/97/95/47/549979547.db2.gz PWICLBVHUPAXTH-UHFFFAOYSA-N 1 0 356.426 2.332 20 30 FEEDRO COc1ccc(CNC(=[NH2+])NC[C@H](O)c2ccc(Cl)cc2)cc1OC ZINC000264128334 549982891 /nfs/dbraw/zinc/98/28/91/549982891.db2.gz XAPHGQHTNGLYEU-HNNXBMFYSA-N 1 0 363.845 2.495 20 30 FEEDRO C[C@H](NC(=[NH2+])NC[C@@H]1CCS(=O)(=O)C1)c1ccc(Cl)cc1Cl ZINC000264132039 549983239 /nfs/dbraw/zinc/98/32/39/549983239.db2.gz UGWYHWJJBNPEMO-UWVGGRQHSA-N 1 0 364.298 2.393 20 30 FEEDRO COc1ccc(NC(=[NH2+])NCCc2ccc3c(c2)OCCO3)cc1OC ZINC000264149493 549985174 /nfs/dbraw/zinc/98/51/74/549985174.db2.gz YTQGSMWJHZQCPB-UHFFFAOYSA-N 1 0 357.410 2.444 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)NCCNC(=O)c2cccc(C)c2)CC1 ZINC000264379152 549995052 /nfs/dbraw/zinc/99/50/52/549995052.db2.gz LAUDJAVQCRWMKE-UHFFFAOYSA-N 1 0 358.486 2.065 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)[C@@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)CC1 ZINC000264370144 549995360 /nfs/dbraw/zinc/99/53/60/549995360.db2.gz JJFNUNXPIOJKFP-FUHWJXTLSA-N 1 0 355.482 2.363 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CSCN2C(=O)c2ccccc2)CC1 ZINC000264526867 549997328 /nfs/dbraw/zinc/99/73/28/549997328.db2.gz YPTJTZWAKNIMND-SFHVURJKSA-N 1 0 373.522 2.358 20 30 FEEDRO C[NH+]=C(NCc1ccco1)NCC1CCN(Cc2nc(C)c(C)o2)CC1 ZINC000264789299 550001630 /nfs/dbraw/zinc/00/16/30/550001630.db2.gz GYCWDXXNMIGXKO-UHFFFAOYSA-N 1 0 359.474 2.462 20 30 FEEDRO CCOc1ccc(C[NH2+]CCNC(=O)C2N=CC=CC2=O)cc1OCC ZINC000264955610 550004421 /nfs/dbraw/zinc/00/44/21/550004421.db2.gz MCLDSVURMJFPDZ-HNENSFHCSA-N 1 0 359.426 2.100 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)NC[C@@H]1CCc2nnc(C)n2C1)C(C)C ZINC000265460925 550009871 /nfs/dbraw/zinc/00/98/71/550009871.db2.gz VSMQIXNJFAYIKZ-ZWKOTPCHSA-N 1 0 374.533 2.147 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)c2nc(CC)n(-c3ccccc3F)n2)CC1 ZINC000265924430 550015348 /nfs/dbraw/zinc/01/53/48/550015348.db2.gz DCJVTNWSANOVJC-UHFFFAOYSA-N 1 0 357.433 2.349 20 30 FEEDRO N#CCCn1ccc(NC(=O)NCC2([NH+]3CCSCC3)CCCC2)n1 ZINC000266480789 550021099 /nfs/dbraw/zinc/02/10/99/550021099.db2.gz YJKBQMBBQHTOQN-UHFFFAOYSA-N 1 0 362.503 2.280 20 30 FEEDRO CCC(CC)CN(CCC#N)CC(=O)N[C@@H](C(=O)NC)c1ccccc1 ZINC000266763499 550024160 /nfs/dbraw/zinc/02/41/60/550024160.db2.gz UNDKQYMZWMRFTL-LJQANCHMSA-N 1 0 358.486 2.242 20 30 FEEDRO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCC[C@@H](CC(N)=O)C1 ZINC000266925005 550025854 /nfs/dbraw/zinc/02/58/54/550025854.db2.gz KAFHQEKRDXAENB-CABCVRRESA-N 1 0 360.433 2.048 20 30 FEEDRO Cc1ccc([C@H]2OCCC[C@@H]2CNC(=[NH2+])NCCCN2CCOCC2)cc1 ZINC000267454521 550031545 /nfs/dbraw/zinc/03/15/45/550031545.db2.gz SLBAJFUGLDUFEI-WOJBJXKFSA-N 1 0 374.529 2.089 20 30 FEEDRO COc1ccc(NC(=[NH2+])NCCCCN2C(=O)c3ccccc3C2=O)cc1 ZINC000267478057 550032199 /nfs/dbraw/zinc/03/21/99/550032199.db2.gz ZYBHUFIMKPPGBL-UHFFFAOYSA-N 1 0 366.421 2.498 20 30 FEEDRO COc1ccc(NC(=O)N(CCC#N)CCC[NH+](C)C)cc1NC(C)=O ZINC000267935101 550036156 /nfs/dbraw/zinc/03/61/56/550036156.db2.gz OCJPRKTUYKIMAH-UHFFFAOYSA-N 1 0 361.446 2.353 20 30 FEEDRO COc1cc(/C=C/C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)ccc1OCC#N ZINC000268221150 550038005 /nfs/dbraw/zinc/03/80/05/550038005.db2.gz LYCZXGGHCOYYJF-NRBJAHEWSA-N 1 0 355.438 2.210 20 30 FEEDRO COC(=O)CS(=O)(=O)Cc1ccc(C[NH2+]CC(C)(C)CCC#N)cc1 ZINC000268392584 550058382 /nfs/dbraw/zinc/05/83/82/550058382.db2.gz XVTHSYDABGYHAD-UHFFFAOYSA-N 1 0 366.483 2.194 20 30 FEEDRO COc1ccc([C@@H](C#N)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C3CC3)CC2)cc1 ZINC000492817532 561452932 /nfs/dbraw/zinc/45/29/32/561452932.db2.gz KVHSRHYMFPQSKW-VQTJNVASSA-N 1 0 368.481 2.031 20 30 FEEDRO C=CCOc1ccc(C(=O)NCCCC[N@@H+]2CCC[C@H]2CO)cc1OC ZINC000269281601 550176029 /nfs/dbraw/zinc/17/60/29/550176029.db2.gz AYHRBTYABLNYMO-KRWDZBQOSA-N 1 0 362.470 2.227 20 30 FEEDRO CC(C)Oc1ccc(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)cc1C#N ZINC000269411852 550192430 /nfs/dbraw/zinc/19/24/30/550192430.db2.gz ZWTAXRIZPDVACL-DLBZAZTESA-N 1 0 370.453 2.027 20 30 FEEDRO C=CCNC(=O)[C@H](C)[NH2+][C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000270001824 550242387 /nfs/dbraw/zinc/24/23/87/550242387.db2.gz YHQWQCIOFIONKF-JMPLFQLZSA-N 1 0 353.825 2.031 20 30 FEEDRO C#CC[C@H](NC(=O)NCc1ccc(N2CCOCC2)nc1)c1ccccc1 ZINC000270100850 550249228 /nfs/dbraw/zinc/24/92/28/550249228.db2.gz FGUDJXGMYAIOBM-IBGZPJMESA-N 1 0 364.449 2.482 20 30 FEEDRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)N1CCc2ccc(C#N)cc21 ZINC000270145194 550251914 /nfs/dbraw/zinc/25/19/14/550251914.db2.gz FFQGDYWYEWVUNG-MRXNPFEDSA-N 1 0 368.481 2.218 20 30 FEEDRO C#CC[C@@H](NC(=O)N(C)CC[N@H+](C)C1CCN(C)CC1)c1ccccc1 ZINC000270370955 550266454 /nfs/dbraw/zinc/26/64/54/550266454.db2.gz TXUAMKFBRRQNAJ-HXUWFJFHSA-N 1 0 356.514 2.418 20 30 FEEDRO C=C(C)COc1cc(C[N@@H+]2CCC[C@@H](CS(N)(=O)=O)C2)ccc1OC ZINC000271163490 550347434 /nfs/dbraw/zinc/34/74/34/550347434.db2.gz GJQINNOXYXSNLL-MRXNPFEDSA-N 1 0 368.499 2.151 20 30 FEEDRO C[C@H]([NH2+]CC(=O)Nc1sccc1C#N)c1ccc2c(c1)CC(=O)N2C ZINC000271777753 550401132 /nfs/dbraw/zinc/40/11/32/550401132.db2.gz FMICQRABCWOHMV-NSHDSACASA-N 1 0 354.435 2.428 20 30 FEEDRO C[C@H]([NH2+]CC(=O)NCc1ccc(C#N)cc1)c1ccc2c(c1)CC(=O)N2C ZINC000271805507 550403567 /nfs/dbraw/zinc/40/35/67/550403567.db2.gz LETGYFFKHHZWHB-AWEZNQCLSA-N 1 0 362.433 2.044 20 30 FEEDRO C[C@@H](NC(=O)N1CCCN(c2ccccc2C#N)CC1)C1=CC[N@H+](C)CC1 ZINC000272740149 550467800 /nfs/dbraw/zinc/46/78/00/550467800.db2.gz CQFSINHBAKGFIW-QGZVFWFLSA-N 1 0 367.497 2.430 20 30 FEEDRO C[N@H+](CCCNS(=O)(=O)Cc1ccc(C#N)cc1)Cc1ccccc1 ZINC000272978520 550479464 /nfs/dbraw/zinc/47/94/64/550479464.db2.gz CRFIULYEMDRVBJ-UHFFFAOYSA-N 1 0 357.479 2.500 20 30 FEEDRO C=CCS(=O)(=O)CC[NH2+]Cc1cnc2c(C)cc(Br)cn12 ZINC000273035954 550481884 /nfs/dbraw/zinc/48/18/84/550481884.db2.gz HKMGVQGHRDEWJD-UHFFFAOYSA-N 1 0 372.288 2.096 20 30 FEEDRO C=CCc1ccc(OC[C@H](O)C[NH2+][C@@H](CO)c2ccccc2)c(OC)c1 ZINC000273082328 550484277 /nfs/dbraw/zinc/48/42/77/550484277.db2.gz HSEZIYALUIHQPN-MOPGFXCFSA-N 1 0 357.450 2.487 20 30 FEEDRO C[C@@H](CNC(=[NH2+])N1CCN(C(=O)OC(C)(C)C)CC1)c1nccs1 ZINC000273348370 550495316 /nfs/dbraw/zinc/49/53/16/550495316.db2.gz AOABWNZGAJAHQB-LBPRGKRZSA-N 1 0 353.492 2.114 20 30 FEEDRO CS[C@@H]1CN(CCC(=O)Nc2ccc(C#N)cc2)C[C@@H]1[NH+]1CCCC1 ZINC000274087199 550522683 /nfs/dbraw/zinc/52/26/83/550522683.db2.gz RGLDJSNIFOLNOO-ZWKOTPCHSA-N 1 0 358.511 2.398 20 30 FEEDRO CC(C)[NH+]1CCC(N2CCN(c3cc(C#N)ccc3[N+](=O)[O-])CC2)CC1 ZINC000274219901 550528243 /nfs/dbraw/zinc/52/82/43/550528243.db2.gz BHBRIEAIQDDREZ-UHFFFAOYSA-N 1 0 357.458 2.461 20 30 FEEDRO CC(C)N1CC[NH+](C2CCN(c3ccc([N+](=O)[O-])c(C#N)c3)CC2)CC1 ZINC000274243774 550529501 /nfs/dbraw/zinc/52/95/01/550529501.db2.gz VEVLEUAXFXKXSV-UHFFFAOYSA-N 1 0 357.458 2.461 20 30 FEEDRO CCO[C@@H]1C[C@H](NC(=[NH2+])Nc2ccc(OC)c(OC)c2)C12CCOCC2 ZINC000274402754 550536024 /nfs/dbraw/zinc/53/60/24/550536024.db2.gz DYFSGVMYXSFJFD-DLBZAZTESA-N 1 0 363.458 2.405 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@H](OCCOC)C1)C(C)C ZINC000275526307 550572532 /nfs/dbraw/zinc/57/25/32/550572532.db2.gz BEIGCDLPNBXAKL-ZWKOTPCHSA-N 1 0 353.507 2.132 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CCO[C@@H]2c2cnn(CC)c2)CC1 ZINC000275610006 550573189 /nfs/dbraw/zinc/57/31/89/550573189.db2.gz LSNYTEWHMCJESC-ZWKOTPCHSA-N 1 0 361.490 2.073 20 30 FEEDRO C=CCC[N@@H+](C)CCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1Cl ZINC000276388594 550578376 /nfs/dbraw/zinc/57/83/76/550578376.db2.gz IZYCHRVTVYXABQ-UHFFFAOYSA-N 1 0 373.906 2.427 20 30 FEEDRO CO[C@@H]1C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)C[C@@H]1OC ZINC000276834895 550601389 /nfs/dbraw/zinc/60/13/89/550601389.db2.gz HBJHBJKBIVJXQC-GASCZTMLSA-N 1 0 363.483 2.173 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N[C@@H](Cc2nc(C)no2)c2ccccc2)CC1 ZINC000277120473 550634482 /nfs/dbraw/zinc/63/44/82/550634482.db2.gz HTDZJCPJEYHFOW-SFHVURJKSA-N 1 0 352.438 2.123 20 30 FEEDRO C=C[C@](C)(CC)C(=O)Nc1cccc(S(=O)(=O)NCC[NH+](C)C)c1 ZINC000277195499 550642282 /nfs/dbraw/zinc/64/22/82/550642282.db2.gz XCICDWUKCNLISH-QGZVFWFLSA-N 1 0 353.488 2.067 20 30 FEEDRO CCOC(=O)c1n[nH]c(C2CC[NH+](Cc3ccc(OC)c(C#N)c3)CC2)n1 ZINC000277793797 550714849 /nfs/dbraw/zinc/71/48/49/550714849.db2.gz NNLSMTGGAWTQPA-UHFFFAOYSA-N 1 0 369.425 2.241 20 30 FEEDRO CC(C)[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C[C@@H](O)COc1ccccc1 ZINC000277843152 550720586 /nfs/dbraw/zinc/72/05/86/550720586.db2.gz SDBLRDRTJWLZGT-XLIONFOSSA-N 1 0 361.486 2.191 20 30 FEEDRO N#CCCn1cc(C[NH2+]CCCO[C@@H]2CCOC2)c(-c2ccncc2)n1 ZINC000278634803 550806414 /nfs/dbraw/zinc/80/64/14/550806414.db2.gz KXDHCAYTETVVGS-GOSISDBHSA-N 1 0 355.442 2.144 20 30 FEEDRO C#CCn1ccc(CN(CC)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000279177287 550861962 /nfs/dbraw/zinc/86/19/62/550861962.db2.gz GKEKDOCWDKHCDH-LJQANCHMSA-N 1 0 365.481 2.322 20 30 FEEDRO CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000279437563 550890126 /nfs/dbraw/zinc/89/01/26/550890126.db2.gz OSBADGUZPMYPRO-MRXNPFEDSA-N 1 0 371.485 2.186 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N2CCC(c3ncc4n3CCCC4)CC2)CC1 ZINC000279636938 550911050 /nfs/dbraw/zinc/91/10/50/550911050.db2.gz ZXHRDLMGAPJOFR-UHFFFAOYSA-N 1 0 354.498 2.271 20 30 FEEDRO C[C@@H](C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1)N(C)CC(F)(F)F ZINC000279734757 550922965 /nfs/dbraw/zinc/92/29/65/550922965.db2.gz WLZIHOHZTKQLLO-AWEZNQCLSA-N 1 0 370.419 2.331 20 30 FEEDRO C[C@@H]1C[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@@]2(CCOC2)O1 ZINC000280333333 550981811 /nfs/dbraw/zinc/98/18/11/550981811.db2.gz HUOBDUJBMNNMEH-FZKQIMNGSA-N 1 0 363.845 2.420 20 30 FEEDRO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CC[C@H](C(=O)N(C)c2ccccc2)C1 ZINC000280658375 551018593 /nfs/dbraw/zinc/01/85/93/551018593.db2.gz DRRLBNPDKPUDDK-JXFKEZNVSA-N 1 0 356.470 2.026 20 30 FEEDRO N#Cc1ccc(NC(=O)C(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)cc1 ZINC000281029360 551056291 /nfs/dbraw/zinc/05/62/91/551056291.db2.gz QDXCXAIQEMRSDP-GOSISDBHSA-N 1 0 354.454 2.410 20 30 FEEDRO C=CCN1CC[C@H]([N@H+](C)C[C@H](O)Cc2ccc(C(F)(F)F)cc2)C1=O ZINC000281377518 551090209 /nfs/dbraw/zinc/09/02/09/551090209.db2.gz OXZVEFBXBKGTDO-CVEARBPZSA-N 1 0 356.388 2.328 20 30 FEEDRO C#C[C@@H](NC(=O)C(=O)Nc1ccc(OCC[NH+](CC)CC)cc1)C(C)C ZINC000281578462 551115578 /nfs/dbraw/zinc/11/55/78/551115578.db2.gz QLEFUBMENLPVTN-GOSISDBHSA-N 1 0 359.470 2.120 20 30 FEEDRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]Cc2ccc(C#N)c(OC)c2)c1 ZINC000281850217 551148160 /nfs/dbraw/zinc/14/81/60/551148160.db2.gz ZCSRBMNXTSHDPV-CYBMUJFWSA-N 1 0 359.451 2.326 20 30 FEEDRO C=C(C)[C@H]1OCC[C@H]1CNC(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000281893522 551154070 /nfs/dbraw/zinc/15/40/70/551154070.db2.gz UPEJTKMDCLSHAJ-PKOBYXMFSA-N 1 0 361.486 2.407 20 30 FEEDRO Cc1ccc([C@@H](CNS(=O)(=O)N(C)C[C@@H](C)C#N)[NH+]2CCCC2)cc1 ZINC000282639049 551254936 /nfs/dbraw/zinc/25/49/36/551254936.db2.gz LEOQNSQLMXDMGZ-FUHWJXTLSA-N 1 0 364.515 2.058 20 30 FEEDRO C=CCn1c(-c2cnn(C)c2)nnc1N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000282644889 551255300 /nfs/dbraw/zinc/25/53/00/551255300.db2.gz QCGMSAUOKPCFDR-CRAIPNDOSA-N 1 0 367.501 2.318 20 30 FEEDRO COc1ccc(C#N)cc1NC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000282674074 551258385 /nfs/dbraw/zinc/25/83/85/551258385.db2.gz HTSSGABKYVANPV-INIZCTEOSA-N 1 0 358.442 2.143 20 30 FEEDRO C[C@@H](CC#N)N(C)S(=O)(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000283059643 551305243 /nfs/dbraw/zinc/30/52/43/551305243.db2.gz TVLFHXKTDPYYES-AWEZNQCLSA-N 1 0 370.544 2.028 20 30 FEEDRO C=CCN(CCc1ccco1)C(=O)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000283286666 551342012 /nfs/dbraw/zinc/34/20/12/551342012.db2.gz ACYGZJLQZSFJMO-UHFFFAOYSA-N 1 0 361.486 2.075 20 30 FEEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H]1CC[N@@H+](CCOC)C1 ZINC000497839605 561509731 /nfs/dbraw/zinc/50/97/31/561509731.db2.gz ITNJKSAIGFBXPJ-SFHVURJKSA-N 1 0 363.506 2.272 20 30 FEEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)S(=O)(=O)CCC(F)(F)F ZINC000283778232 551426192 /nfs/dbraw/zinc/42/61/92/551426192.db2.gz CDZWOSKZQJPIQQ-UHFFFAOYSA-N 1 0 363.405 2.204 20 30 FEEDRO CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2ccnc(C)n2)CC1 ZINC000283919466 551449994 /nfs/dbraw/zinc/44/99/94/551449994.db2.gz JYUIJEPPFSVHQL-UHFFFAOYSA-N 1 0 374.452 2.262 20 30 FEEDRO C[C@@H]1CCCC[C@@H]1NC(=S)C(C(=O)c1cnn(C)n1)[n+]1ccccc1 ZINC000284051356 551475012 /nfs/dbraw/zinc/47/50/12/551475012.db2.gz JGFZYUCBOYKEPP-KGLIPLIRSA-O 1 0 358.491 2.210 20 30 FEEDRO CCc1cc[n+](C(C(=O)c2cnn(C)n2)C(=S)NC(C)(C)CC)cc1 ZINC000284089232 551481694 /nfs/dbraw/zinc/48/16/94/551481694.db2.gz KUGKEQRQONYOJP-UHFFFAOYSA-O 1 0 360.507 2.382 20 30 FEEDRO CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[NH+](CC2CC2)CC1 ZINC000284529010 551570045 /nfs/dbraw/zinc/57/00/45/551570045.db2.gz WPJSKDZYNGLWBL-UHFFFAOYSA-N 1 0 366.469 2.281 20 30 FEEDRO C[C@H](O)C[N@@H+]1CCN(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)[C@H](C)C1 ZINC000284576277 551581136 /nfs/dbraw/zinc/58/11/36/551581136.db2.gz KNWHGCNJICRXFX-NEPJUHHUSA-N 1 0 370.375 2.496 20 30 FEEDRO CC[N@@H+]1C[C@H](C)N(C(=O)[C@H]2CCCN(c3nc(C)ccc3C#N)C2)C[C@@H]1C ZINC000498572150 561529030 /nfs/dbraw/zinc/52/90/30/561529030.db2.gz OAAUIXURUMVZAU-LNLFQRSKSA-N 1 0 369.513 2.419 20 30 FEEDRO C=CCN(CCc1ccco1)C(=O)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000284922320 551668257 /nfs/dbraw/zinc/66/82/57/551668257.db2.gz GOXRZFHUKPYFBQ-UHFFFAOYSA-N 1 0 361.486 2.216 20 30 FEEDRO COCc1ncc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)s1 ZINC000285218391 551722364 /nfs/dbraw/zinc/72/23/64/551722364.db2.gz UROUHYRCAQGZIM-UHFFFAOYSA-N 1 0 358.467 2.365 20 30 FEEDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000285221427 551722889 /nfs/dbraw/zinc/72/28/89/551722889.db2.gz FIDJMXLIZBCUPR-SWLSCSKDSA-N 1 0 353.875 2.459 20 30 FEEDRO COC(=O)c1cnoc1CON=C(N)c1ccccc1C[NH+]1CCCCC1 ZINC000285255071 551727458 /nfs/dbraw/zinc/72/74/58/551727458.db2.gz RZDLSTBGRBJCAZ-UHFFFAOYSA-N 1 0 372.425 2.284 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N[C@@H](C)c2ccc(S(=O)(=O)CC)cc2)CC1 ZINC000285370810 551745293 /nfs/dbraw/zinc/74/52/93/551745293.db2.gz KECWOWGAHHHMSL-HNNXBMFYSA-N 1 0 362.495 2.003 20 30 FEEDRO C[NH+](C)CCNS(=O)(=O)c1cccc(NCc2cccc(C#N)c2)c1 ZINC000285643573 551788280 /nfs/dbraw/zinc/78/82/80/551788280.db2.gz RVTTZEJFOIWDGO-UHFFFAOYSA-N 1 0 358.467 2.010 20 30 FEEDRO C=CCN(CCc1ccco1)C(=O)C(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000285743399 551804184 /nfs/dbraw/zinc/80/41/84/551804184.db2.gz FGBBGRMFAVDODV-QGZVFWFLSA-N 1 0 361.486 2.073 20 30 FEEDRO CCNC(=O)OC[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccccc1C#N ZINC000285759377 551806540 /nfs/dbraw/zinc/80/65/40/551806540.db2.gz WZTKVRYKFHUCMO-MRXNPFEDSA-N 1 0 358.442 2.487 20 30 FEEDRO COC(=O)c1ccc(C[N@@H+]2CCCN(c3ccccc3C#N)CC2)nc1 ZINC000285837613 551817407 /nfs/dbraw/zinc/81/74/07/551817407.db2.gz CFRYWGKLGBOFIF-UHFFFAOYSA-N 1 0 350.422 2.452 20 30 FEEDRO COCC[NH+](CCOC)C1CCN(c2nc(Cl)c(C#N)s2)CC1 ZINC000286326675 551874919 /nfs/dbraw/zinc/87/49/19/551874919.db2.gz KBGATKMFRUCGGI-UHFFFAOYSA-N 1 0 358.895 2.232 20 30 FEEDRO C=CCN(CCc1ccco1)C(=O)C(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000286386362 551881890 /nfs/dbraw/zinc/88/18/90/551881890.db2.gz UUSZNNDTMSJKSS-KRWDZBQOSA-N 1 0 361.486 2.073 20 30 FEEDRO C=CCN(CCc1ccccc1)C(=O)C(=O)NC1CC[NH+](CC(=C)C)CC1 ZINC000286388201 551881999 /nfs/dbraw/zinc/88/19/99/551881999.db2.gz DCTQMQMCTQDSMF-UHFFFAOYSA-N 1 0 369.509 2.400 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@H](C)Cc2cccs2)CC1 ZINC000286391261 551882684 /nfs/dbraw/zinc/88/26/84/551882684.db2.gz DHUAZOJFGUNLNF-OAHLLOKOSA-N 1 0 363.527 2.200 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)NCc2ccc(C)cc2SC)CC1 ZINC000286716980 551918164 /nfs/dbraw/zinc/91/81/64/551918164.db2.gz QTGQWZPMDHLAAB-UHFFFAOYSA-N 1 0 361.511 2.100 20 30 FEEDRO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000286728618 551919677 /nfs/dbraw/zinc/91/96/77/551919677.db2.gz BLSHADSGAFUTFV-DZGCQCFKSA-N 1 0 374.872 2.483 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCO[C@@]2(CCCOC2)C1)C(C)C ZINC000287032450 551954185 /nfs/dbraw/zinc/95/41/85/551954185.db2.gz HAXZCXAHXODUOU-ICSRJNTNSA-N 1 0 365.518 2.276 20 30 FEEDRO COCC[N@@H+]1CC[C@H](NC(=O)Nc2ccc(C#N)c(Br)c2)C1 ZINC000287145925 551969244 /nfs/dbraw/zinc/96/92/44/551969244.db2.gz HWRCBCMGNOZZIK-ZDUSSCGKSA-N 1 0 367.247 2.163 20 30 FEEDRO C#CCOc1cc(F)ccc1NC(=O)N1C[C@@H](N2CCOCC2)C[C@@H]1C ZINC000287191652 551974851 /nfs/dbraw/zinc/97/48/51/551974851.db2.gz QANBMNYONNKJPE-HOCLYGCPSA-N 1 0 361.417 2.165 20 30 FEEDRO CC[C@@H](C)[N@H+](CCO)CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000287233661 551979426 /nfs/dbraw/zinc/97/94/26/551979426.db2.gz GAZJMFJZIRSEHL-CQSZACIVSA-N 1 0 356.388 2.266 20 30 FEEDRO N#Cc1ccc(NC(=O)CC[N@@H+]2CC[C@H](C(=O)N3CCCC3)C2)cc1Cl ZINC000287425017 552002481 /nfs/dbraw/zinc/00/24/81/552002481.db2.gz PEBHDLNGFRTFJL-HNNXBMFYSA-N 1 0 374.872 2.485 20 30 FEEDRO C#CC[C@H](Cc1ccccc1)NC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000287581195 552021380 /nfs/dbraw/zinc/02/13/80/552021380.db2.gz XVLPGIDNMWPKAN-NHCUHLMSSA-N 1 0 369.509 2.375 20 30 FEEDRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)c1ccc(C#N)o1 ZINC000287680072 552033580 /nfs/dbraw/zinc/03/35/80/552033580.db2.gz DQJRTIUHTXMYBY-MRXNPFEDSA-N 1 0 359.451 2.294 20 30 FEEDRO C[NH+](C)CCCOc1cnccc1CNC(=O)NCc1cccc(C#N)c1 ZINC000288587096 552180046 /nfs/dbraw/zinc/18/00/46/552180046.db2.gz LNXHIXQVBBGQRQ-UHFFFAOYSA-N 1 0 367.453 2.283 20 30 FEEDRO CCCC[N@H+](C)C[C@H](C)NC(=O)C(=O)Nc1cc(C#N)ccc1OCC ZINC000288735114 552203266 /nfs/dbraw/zinc/20/32/66/552203266.db2.gz GQBVXHHNMATSRG-AWEZNQCLSA-N 1 0 360.458 2.132 20 30 FEEDRO C=CCCCCNC(=O)C(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000288976369 552246719 /nfs/dbraw/zinc/24/67/19/552246719.db2.gz XJRRESZYBILAAD-MRXNPFEDSA-N 1 0 358.486 2.196 20 30 FEEDRO C[C@@H](NS(=O)(=O)c1cncc(C#N)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000289462180 552325344 /nfs/dbraw/zinc/32/53/44/552325344.db2.gz MDDMAVSRTSLTHZ-CRAIPNDOSA-N 1 0 370.478 2.142 20 30 FEEDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)Nc2ccc(C#N)c(F)c2)C1 ZINC000290318986 552459529 /nfs/dbraw/zinc/45/95/29/552459529.db2.gz VKBALQCPFVFVDI-CYBMUJFWSA-N 1 0 360.433 2.263 20 30 FEEDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)C(=O)Nc1ccc(C#N)cc1Cl ZINC000290471572 552484376 /nfs/dbraw/zinc/48/43/76/552484376.db2.gz RXJPLGCDJLOOAG-GFCCVEGCSA-N 1 0 350.850 2.387 20 30 FEEDRO C[NH+](C)CCOc1ccccc1N1CCN(c2cccnc2C#N)CC1 ZINC000290815944 552542736 /nfs/dbraw/zinc/54/27/36/552542736.db2.gz RWWBWOWAWMZLLX-UHFFFAOYSA-N 1 0 351.454 2.220 20 30 FEEDRO C[NH+](C)CCN(Cc1cccs1)C(=O)C(=O)Nc1ccc(C#N)c(F)c1 ZINC000290828590 552545194 /nfs/dbraw/zinc/54/51/94/552545194.db2.gz PHUOREDJJGKPKO-UHFFFAOYSA-N 1 0 374.441 2.288 20 30 FEEDRO CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@@H](C)c1ccc(N2CCCNC2=O)cc1 ZINC000291192899 552598348 /nfs/dbraw/zinc/59/83/48/552598348.db2.gz JAGWMKYJIAHBMM-MGPUTAFESA-N 1 0 371.485 2.311 20 30 FEEDRO C=CCOCC(=O)Nc1cc(Br)ccc1N1CC[NH+](C)CC1 ZINC000501236816 561593004 /nfs/dbraw/zinc/59/30/04/561593004.db2.gz GZNDJHNGIPHYRI-UHFFFAOYSA-N 1 0 368.275 2.342 20 30 FEEDRO C=C[C@H](CO)[NH2+]Cc1cc(Br)cc(Br)c1N ZINC000291440302 552624779 /nfs/dbraw/zinc/62/47/79/552624779.db2.gz BUGYACHZVYEZTK-SECBINFHSA-N 1 0 350.054 2.430 20 30 FEEDRO CC(C)N(CC(=O)Nc1c(C#N)cnn1-c1ccccc1)[C@@H]1CCOC1 ZINC000291751705 552658041 /nfs/dbraw/zinc/65/80/41/552658041.db2.gz KPOQFDUWLFDJQK-QGZVFWFLSA-N 1 0 353.426 2.182 20 30 FEEDRO C[C@@H]1CN(S(=O)(=O)c2c(F)cc(C#N)cc2F)CC[N@@H+](C2CCC2)C1 ZINC000291839891 552666912 /nfs/dbraw/zinc/66/69/12/552666912.db2.gz GRCPGEXETOJZMD-LBPRGKRZSA-N 1 0 369.437 2.331 20 30 FEEDRO C[N@@H+]1CC[C@]2(CCN(CCC(=O)Nc3sc4c(c3C#N)CCC4)C2)C1 ZINC000292094837 552693344 /nfs/dbraw/zinc/69/33/44/552693344.db2.gz HFRQRKFMUAGDJL-IBGZPJMESA-N 1 0 358.511 2.465 20 30 FEEDRO CCN(CC)C(=O)C[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000292632859 552744911 /nfs/dbraw/zinc/74/49/11/552744911.db2.gz MTFNVZAHRADQKL-UHFFFAOYSA-N 1 0 362.499 2.237 20 30 FEEDRO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]CCOCCC#N)cc1 ZINC000292686979 552749394 /nfs/dbraw/zinc/74/93/94/552749394.db2.gz CGOCRNODWGRQJN-HNNXBMFYSA-N 1 0 353.488 2.298 20 30 FEEDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2cc(C#N)cc(N(C)C)c2)[C@H](C)C1 ZINC000292839245 552763823 /nfs/dbraw/zinc/76/38/23/552763823.db2.gz VOUBALNFMMGKFW-OXQOHEQNSA-N 1 0 372.513 2.491 20 30 FEEDRO C[N@@H+]1CCC[C@@]2(CCN([C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)C2)C1 ZINC000292968393 552775909 /nfs/dbraw/zinc/77/59/09/552775909.db2.gz MCTZXLJDKQMHFE-TZIWHRDSSA-N 1 0 352.482 2.471 20 30 FEEDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)C(=O)Nc2sccc2C#N)C1 ZINC000292971701 552776363 /nfs/dbraw/zinc/77/63/63/552776363.db2.gz GSZGRMZKDNXAQT-OKILXGFUSA-N 1 0 362.499 2.433 20 30 FEEDRO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)C(=O)Nc1sccc1C#N ZINC000293159841 552794685 /nfs/dbraw/zinc/79/46/85/552794685.db2.gz SYHHISYQIJXCBQ-UHFFFAOYSA-N 1 0 374.441 2.288 20 30 FEEDRO C=CCOc1cccc(NC(=O)C(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)c1 ZINC000293476475 552827638 /nfs/dbraw/zinc/82/76/38/552827638.db2.gz VHQBONATUOXQEP-HXUWFJFHSA-N 1 0 357.454 2.134 20 30 FEEDRO Cc1nc(C#N)c(N2CCC(C(=O)N3CC[C@@]4(C3)CCC[N@@H+](C)C4)CC2)o1 ZINC000293832672 552860485 /nfs/dbraw/zinc/86/04/85/552860485.db2.gz BYZOHGOSJQXJGF-FQEVSTJZSA-N 1 0 371.485 2.015 20 30 FEEDRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)C(C)(C)Oc3ccc(C#N)cc3)[C@H]2C1 ZINC000293877059 552864423 /nfs/dbraw/zinc/86/44/23/552864423.db2.gz KSMUCIHUGYUZFO-ZWKOTPCHSA-N 1 0 357.454 2.037 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)[C@]1(C)CCCN(C(=O)c2ccccc2)C1 ZINC000294050505 552878261 /nfs/dbraw/zinc/87/82/61/552878261.db2.gz UCJLRCFIILWXGE-OAQYLSRUSA-N 1 0 355.482 2.000 20 30 FEEDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NS(=O)(=O)Cc1ccc(F)cc1C#N ZINC000294174917 552887933 /nfs/dbraw/zinc/88/79/33/552887933.db2.gz JQFUUVHJOMDLTR-KBPBESRZSA-N 1 0 353.463 2.237 20 30 FEEDRO CO[C@H]1COCC[C@H]1CC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000294480232 552909612 /nfs/dbraw/zinc/90/96/12/552909612.db2.gz QQRXIUOODJWQBM-PMACEKPBSA-N 1 0 371.481 2.034 20 30 FEEDRO COCC[NH+]1CCC(NC(=O)c2ccc(Br)cc2C#N)CC1 ZINC000294791126 552934504 /nfs/dbraw/zinc/93/45/04/552934504.db2.gz SSELITBHQOWDOQ-UHFFFAOYSA-N 1 0 366.259 2.161 20 30 FEEDRO C[C@H](NC(=O)C(=O)Nc1sccc1C#N)[C@H](c1ccccc1)[NH+](C)C ZINC000294933080 552945242 /nfs/dbraw/zinc/94/52/42/552945242.db2.gz XPVZQCDCPZERHJ-SWLSCSKDSA-N 1 0 356.451 2.366 20 30 FEEDRO COc1c(C)cnc(CN(C)CC(=O)NCc2ccc(C#N)cc2)c1C ZINC000295182254 552967114 /nfs/dbraw/zinc/96/71/14/552967114.db2.gz PVLVJLITBBDWSU-UHFFFAOYSA-N 1 0 352.438 2.327 20 30 FEEDRO C#CC[N@@H+](C)CCCNC(=O)NCc1ccc(N2CCC(C)CC2)nc1 ZINC000296445049 553161342 /nfs/dbraw/zinc/16/13/42/553161342.db2.gz UXBYGAARLMFWET-UHFFFAOYSA-N 1 0 357.502 2.072 20 30 FEEDRO CC[C@@H](C)[NH+]1CCN(C(=O)C2CCN(c3oc(C)nc3C#N)CC2)CC1 ZINC000296767151 553208854 /nfs/dbraw/zinc/20/88/54/553208854.db2.gz CDQMKXNOQMBVBK-CQSZACIVSA-N 1 0 359.474 2.014 20 30 FEEDRO CNC(=O)[C@H]1CCC[C@@H]1[NH2+]CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000502835792 561627130 /nfs/dbraw/zinc/62/71/30/561627130.db2.gz HMZASVBZGJGIOR-HOTGVXAUSA-N 1 0 362.861 2.091 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1ccc2c(c1)CCCC2 ZINC000296956607 553234865 /nfs/dbraw/zinc/23/48/65/553234865.db2.gz NYJCUYYGOTZURF-UHFFFAOYSA-N 1 0 356.470 2.198 20 30 FEEDRO CC(C)(C)c1cc(C#N)c(NC(=O)C(=O)NCCN2CC=CCC2)s1 ZINC000297033408 553244882 /nfs/dbraw/zinc/24/48/82/553244882.db2.gz RQRVDBIMWXSAAD-UHFFFAOYSA-N 1 0 360.483 2.234 20 30 FEEDRO C#Cc1ccc(CNC(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000297037470 553245220 /nfs/dbraw/zinc/24/52/20/553245220.db2.gz XBKRSOBDINVIGD-PMACEKPBSA-N 1 0 355.482 2.235 20 30 FEEDRO N#Cc1ccc(O[C@H]2CCN(C(=O)NC3CC[NH+](C4CCC4)CC3)C2)nc1 ZINC000297154769 553257168 /nfs/dbraw/zinc/25/71/68/553257168.db2.gz UIPYQBHMXOYBRM-SFHVURJKSA-N 1 0 369.469 2.133 20 30 FEEDRO C[C@@H]1CN=C(N2CCN(c3ncc(Br)cc3C#N)CC2)S1 ZINC000297280658 553272862 /nfs/dbraw/zinc/27/28/62/553272862.db2.gz XHQBEVXTNJIMKW-SNVBAGLBSA-N 1 0 366.288 2.329 20 30 FEEDRO C=CCN(Cc1ccccc1)C(=O)C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000298255332 553404378 /nfs/dbraw/zinc/40/43/78/553404378.db2.gz LURISXYKQXOXHJ-HXUWFJFHSA-N 1 0 369.509 2.392 20 30 FEEDRO C[C@@H]1CCC[C@@](CNC(=O)C(=O)Nc2cccc(OCC#N)c2)([NH+](C)C)C1 ZINC000298979072 553498314 /nfs/dbraw/zinc/49/83/14/553498314.db2.gz KBPWETUSSPMWDI-FOIQADDNSA-N 1 0 372.469 2.154 20 30 FEEDRO N#Cc1ccc(N2CCC[C@H]([NH2+]Cc3ccc(-n4cncn4)cc3)C2=O)cc1 ZINC000503932426 561650185 /nfs/dbraw/zinc/65/01/85/561650185.db2.gz YMXVEIAKCVZKJW-FQEVSTJZSA-N 1 0 372.432 2.424 20 30 FEEDRO C=CCN(C)C(=O)C(=O)N(CC[NH+](C)C)Cc1cccc(C(F)(F)F)c1 ZINC000299192685 553528113 /nfs/dbraw/zinc/52/81/13/553528113.db2.gz SEOVRILYTHNABC-UHFFFAOYSA-N 1 0 371.403 2.240 20 30 FEEDRO C=CCCc1ccccc1NC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000504005414 561651756 /nfs/dbraw/zinc/65/17/56/561651756.db2.gz LQHGVGHBIVBMNQ-SFHVURJKSA-N 1 0 373.497 2.313 20 30 FEEDRO C[C@H](CNC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)[NH+](C)C ZINC000299342624 553550290 /nfs/dbraw/zinc/55/02/90/553550290.db2.gz UGSJTSFOPYFIHA-CQSZACIVSA-N 1 0 366.421 2.355 20 30 FEEDRO COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000299428188 553561645 /nfs/dbraw/zinc/56/16/45/553561645.db2.gz HKFQEYDSFZGZFM-MOPGFXCFSA-N 1 0 356.470 2.343 20 30 FEEDRO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)C1(C(N)=O)CCCC1 ZINC000299643333 553594918 /nfs/dbraw/zinc/59/49/18/553594918.db2.gz KPLOGPZKAPEAJW-UHFFFAOYSA-N 1 0 360.483 2.167 20 30 FEEDRO C=CCCc1ccccc1NC(=O)C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000504413420 561657917 /nfs/dbraw/zinc/65/79/17/561657917.db2.gz JYIJCFAAIMSVHP-KRWDZBQOSA-N 1 0 373.497 2.361 20 30 FEEDRO COc1c(C)cnc(C[NH+]2CCC(N(C)c3ccc(C#N)nn3)CC2)c1C ZINC000301988852 553696801 /nfs/dbraw/zinc/69/68/01/553696801.db2.gz LQUFHJJBJYMJHT-UHFFFAOYSA-N 1 0 366.469 2.470 20 30 FEEDRO CCN1CC[NH+](C[C@@H](C)CNc2cc(C#N)c(Br)cn2)CC1 ZINC000603280330 553752419 /nfs/dbraw/zinc/75/24/19/553752419.db2.gz UXSMHBHGZGQSFX-ZDUSSCGKSA-N 1 0 366.307 2.401 20 30 FEEDRO C[C@H](CN(C)Cc1ccccc1)[NH2+]C[C@H](O)COc1ccccc1C#N ZINC000311887788 553755591 /nfs/dbraw/zinc/75/55/91/553755591.db2.gz CRDGHTPDMHUDHT-XLIONFOSSA-N 1 0 353.466 2.408 20 30 FEEDRO CN1C[C@H](NC(=O)NCC[NH+]2CCC3(CCCCC3)CC2)CCC1=O ZINC000328618650 553797389 /nfs/dbraw/zinc/79/73/89/553797389.db2.gz VHJWIHPZVUVKJX-MRXNPFEDSA-N 1 0 350.507 2.157 20 30 FEEDRO Cn1ncc2c1C[C@H](C(=O)NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1)CC2 ZINC000328688261 553807332 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20 30 FEEDRO C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)[N@@H+]1CCC[C@](O)(Cn2ccnn2)C1 ZINC000328938164 553849367 /nfs/dbraw/zinc/84/93/67/553849367.db2.gz JZOFKGOFPNZIQP-NLEPDTAZSA-N 1 0 363.506 2.275 20 30 FEEDRO CC(=O)N1CCN(C(=O)NCC[NH+]2CCC(C)CC2)CC12CCCCC2 ZINC000328960180 553853788 /nfs/dbraw/zinc/85/37/88/553853788.db2.gz KHKKBYPKWYIABN-UHFFFAOYSA-N 1 0 364.534 2.499 20 30 FEEDRO C[C@@H](C(=O)Nc1nccs1)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000328975988 553856681 /nfs/dbraw/zinc/85/66/81/553856681.db2.gz WHNGOZDELLMCGY-ILXRZTDVSA-N 1 0 351.520 2.077 20 30 FEEDRO CO[C@@H]1CCC[C@@H]1[C@H]1COCCN1C(=O)NCC1([NH+](C)C)CCCC1 ZINC000328984328 553858560 /nfs/dbraw/zinc/85/85/60/553858560.db2.gz SUVQZCYMHYWBBH-BRWVUGGUSA-N 1 0 353.507 2.291 20 30 FEEDRO C[C@@H]1[C@H](C)[S@](=O)CCN1C(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000328995630 553861692 /nfs/dbraw/zinc/86/16/92/553861692.db2.gz FINZFATYOYYAJW-JPMUSVJPSA-N 1 0 355.548 2.396 20 30 FEEDRO COc1ccc2c(c1)OC[C@H](NC(=O)NC[C@H]1CC[N@H+](CC(C)C)C1)C2 ZINC000329005347 553862624 /nfs/dbraw/zinc/86/26/24/553862624.db2.gz MPPPHKLDPPOPJY-NVXWUHKLSA-N 1 0 361.486 2.480 20 30 FEEDRO CC(C)N1C[C@H](NC(=O)NC2CC[NH+](CC3CCCC3)CC2)CC1=O ZINC000329012951 553864659 /nfs/dbraw/zinc/86/46/59/553864659.db2.gz IVKNFYWUUHPETJ-QGZVFWFLSA-N 1 0 350.507 2.154 20 30 FEEDRO CC(C)N1C(=O)N[C@@H]2CN(C(=O)NC[C@@H](C)C[NH+]3CCCCC3)CC[C@@H]21 ZINC000329023393 553866622 /nfs/dbraw/zinc/86/66/22/553866622.db2.gz IRDAZGJCMHJGGA-ZACQAIPSSA-N 1 0 365.522 2.103 20 30 FEEDRO C[N@@H+]1CC[C@H]2OCCN(CC(=O)Nc3nc4c(s3)CCCC4)[C@@H]2C1 ZINC000329030509 553867786 /nfs/dbraw/zinc/86/77/86/553867786.db2.gz PMPWIEHFQDQTCW-ZIAGYGMSSA-N 1 0 350.488 2.015 20 30 FEEDRO CCc1c(NC(=O)N2CC[C@@H]3OCCN(C)[C@@H]3C2)cnn1-c1ccccc1 ZINC000329041044 553869815 /nfs/dbraw/zinc/86/98/15/553869815.db2.gz OIQDUWPOSLIAQX-MOPGFXCFSA-N 1 0 369.469 2.385 20 30 FEEDRO N#Cc1ccc(CN2CC[NH+](Cc3ccc(-n4cncn4)cc3)CC2)cc1 ZINC000506099721 561690320 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363.433 2.245 20 30 FEEDRO C[C@H](C[NH+]1CCCCC1)NC(=O)N[C@H]1CC(=O)N(C2CCCCC2)C1 ZINC000329158086 553891769 /nfs/dbraw/zinc/89/17/69/553891769.db2.gz WSFYHBDVUAXRLI-CVEARBPZSA-N 1 0 350.507 2.298 20 30 FEEDRO C[C@H](C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C)N1CCSCC1 ZINC000329209587 553902618 /nfs/dbraw/zinc/90/26/18/553902618.db2.gz YLRRMPRQZMKNAS-HLLBOEOZSA-N 1 0 365.547 2.197 20 30 FEEDRO CC[N@@H+]1C[C@H](C)N(C(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)C[C@@H]1C ZINC000329221446 553905324 /nfs/dbraw/zinc/90/53/24/553905324.db2.gz UURRANMYMQSGTD-YQQAZPJKSA-N 1 0 358.461 2.465 20 30 FEEDRO COc1cccc([C@@H](CNC(=O)N2CCC[C@H]3C(=O)NC[C@H]32)[NH+](C)C)c1 ZINC000329237756 553908220 /nfs/dbraw/zinc/90/82/20/553908220.db2.gz PESVEYKBPPJDAE-BRWVUGGUSA-N 1 0 360.458 2.263 20 30 FEEDRO C[C@@H]1CCC[C@](CNC(=O)N2CC[C@@H](C(=O)N3CCCC3)C2)([NH+](C)C)C1 ZINC000329236225 553908234 /nfs/dbraw/zinc/90/82/34/553908234.db2.gz ODCRVTCXZAZRFT-HLIPFELVSA-N 1 0 364.534 2.355 20 30 FEEDRO Cc1nc([C@@H]2CN(C(=O)N[C@H](C)C[N@H+]3C[C@H](C)C[C@H](C)C3)CCO2)no1 ZINC000329268045 553914313 /nfs/dbraw/zinc/91/43/13/553914313.db2.gz DOXOICXYIISCLO-CTASWTNQSA-N 1 0 365.478 2.032 20 30 FEEDRO O=C(NC1CC[NH+](C2CCCC2)CC1)N1CCOC[C@@H]1[C@H]1CCCO1 ZINC000329298615 553920375 /nfs/dbraw/zinc/92/03/75/553920375.db2.gz UMCLHSIWLRIHKY-QZTJIDSGSA-N 1 0 351.491 2.187 20 30 FEEDRO CC1(C)CN(C(=O)NCC2(N3CCOCC3)CC2)Cc2ccccc2O1 ZINC000329356132 553930755 /nfs/dbraw/zinc/93/07/55/553930755.db2.gz ZFVWNOJOHYMPSP-UHFFFAOYSA-N 1 0 359.470 2.438 20 30 FEEDRO CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N2CCC(F)(C#N)CC2)c1 ZINC000506560081 561702028 /nfs/dbraw/zinc/70/20/28/561702028.db2.gz FCHFWQZCIXOLLN-UHFFFAOYSA-N 1 0 360.433 2.321 20 30 FEEDRO COc1ccc(NC(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)cc1N1CCCC1=O ZINC000329471334 553952357 /nfs/dbraw/zinc/95/23/57/553952357.db2.gz ZLTQJORQQIUDFB-YOEHRIQHSA-N 1 0 372.469 2.394 20 30 FEEDRO N#CC1(NC(=O)CN2CCCN(C(=O)c3ccccc3F)CC2)CCC1 ZINC000329491493 553957297 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367.519 2.179 20 30 FEEDRO O=C(N[C@@H]1CCc2c[nH]nc2C1)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000329850700 554018761 /nfs/dbraw/zinc/01/87/61/554018761.db2.gz SMNVQPJDZQGRQA-MSOLQXFVSA-N 1 0 353.470 2.435 20 30 FEEDRO Cc1c([C@@H]2[C@H](C(=O)N[C@@H]3CC[N@@H+](C4CCCC4)C3)CC(=O)N2C)cnn1C ZINC000329884497 554024647 /nfs/dbraw/zinc/02/46/47/554024647.db2.gz SLQLSYFTMHQBPA-OGWOLHLISA-N 1 0 373.501 2.221 20 30 FEEDRO Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N(C)C[C@H]3CCC[N@H+](C)C3)C2)n1 ZINC000329920510 554031681 /nfs/dbraw/zinc/03/16/81/554031681.db2.gz DZQAFUDGHJJUPB-PKOBYXMFSA-N 1 0 369.513 2.278 20 30 FEEDRO Cn1ccnc1[C@H](NC(=O)C(=O)Nc1cc(C#N)ccc1Cl)C1CC1 ZINC000507386162 561727562 /nfs/dbraw/zinc/72/75/62/561727562.db2.gz UOLVMDXOPKGHCI-CQSZACIVSA-N 1 0 357.801 2.151 20 30 FEEDRO CC(C)NC(=O)N1CCC[C@H]1C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000329980473 554043542 /nfs/dbraw/zinc/04/35/42/554043542.db2.gz LLRCPDRCFRVUCK-RDJZCZTQSA-N 1 0 366.506 2.231 20 30 FEEDRO Cn1ccnc1[C@@H](NC(=O)C(=O)Nc1ccc(C#N)cc1Cl)C1CC1 ZINC000507386775 561727596 /nfs/dbraw/zinc/72/75/96/561727596.db2.gz WIEJENPAPXQFGD-AWEZNQCLSA-N 1 0 357.801 2.151 20 30 FEEDRO O=C(NC1CCC(C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)CC1)C1CC1 ZINC000330013181 554049126 /nfs/dbraw/zinc/04/91/26/554049126.db2.gz LTGOLGPCHOXEHB-FAEJEUNOSA-N 1 0 363.502 2.092 20 30 FEEDRO CC1CC[NH+](Cc2cccc(CNC(=O)N[C@@H]3CC[S@](=O)C3)c2)CC1 ZINC000330025489 554051320 /nfs/dbraw/zinc/05/13/20/554051320.db2.gz KOHLSFTVJIKZOE-CJAUYULYSA-N 1 0 363.527 2.443 20 30 FEEDRO CCC[N@@H+]1CC[C@H](CNC(=O)N2CCC(c3nnc4n3CCCC4)CC2)C1 ZINC000330094098 554063190 /nfs/dbraw/zinc/06/31/90/554063190.db2.gz SJTOPMXDTMDZEP-MRXNPFEDSA-N 1 0 374.533 2.440 20 30 FEEDRO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2C[C@H](C)C[C@@H]2c2cccnc2)CC1 ZINC000330096297 554064016 /nfs/dbraw/zinc/06/40/16/554064016.db2.gz XCWLLOQUQKDVIG-MISYRCLQSA-N 1 0 369.513 2.157 20 30 FEEDRO C[C@H](NC(=O)CN1CCOC[C@@H](C2CCC2)C1)C(=O)N1CCCCC1 ZINC000330230886 554089384 /nfs/dbraw/zinc/08/93/84/554089384.db2.gz DSQGTEXCEYTHIZ-RDJZCZTQSA-N 1 0 351.491 2.092 20 30 FEEDRO C[NH+]1CCC(n2ccc(NC(=O)N[C@@H]3CCc4c3cccc4O)n2)CC1 ZINC000330260287 554094602 /nfs/dbraw/zinc/09/46/02/554094602.db2.gz OEHVWDBJDJNPIK-MRXNPFEDSA-N 1 0 355.442 2.869 20 30 FEEDRO Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NC(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000330332869 554106924 /nfs/dbraw/zinc/10/69/24/554106924.db2.gz PGHQEDPIEYUEJB-SKDZVZGDSA-N 1 0 363.506 2.102 20 30 FEEDRO C[C@H](CC#N)N(C)S(=O)(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000330409228 554117866 /nfs/dbraw/zinc/11/78/66/554117866.db2.gz JYTRTDQFFOZWSC-SJLPKXTDSA-N 1 0 364.515 2.109 20 30 FEEDRO C[C@H](CC#N)N(C)S(=O)(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000330415288 554118713 /nfs/dbraw/zinc/11/87/13/554118713.db2.gz NQPZRPIDMRXTQG-IIAWOOMASA-N 1 0 370.544 2.199 20 30 FEEDRO C[C@H]1CCC[N@H+](CCNC(=O)c2ccc(S(N)(=O)=O)cc2Cl)C1 ZINC000330452539 554123609 /nfs/dbraw/zinc/12/36/09/554123609.db2.gz KUAFRMQDUJIIIK-NSHDSACASA-N 1 0 359.879 2.024 20 30 FEEDRO C[C@H](COCC(F)(F)F)NC(=O)N1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000330481273 554126605 /nfs/dbraw/zinc/12/66/05/554126605.db2.gz PEBAPBPPBBEYRR-OLZOCXBDSA-N 1 0 367.412 2.053 20 30 FEEDRO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCC[C@@H](c2nc(C(F)(F)F)cn2C)C1 ZINC000330550278 554136917 /nfs/dbraw/zinc/13/69/17/554136917.db2.gz WXHFZCMTODBMKM-CHWSQXEVSA-N 1 0 371.407 2.379 20 30 FEEDRO CCC[NH+]1CCC(NC(=O)N2CCC[C@@H](CNC(=O)C(C)C)C2)CC1 ZINC000330998368 554199000 /nfs/dbraw/zinc/19/90/00/554199000.db2.gz YUMRUXLGVQNKKM-INIZCTEOSA-N 1 0 352.523 2.259 20 30 FEEDRO CCC(=O)Nc1ccc(C)c(NC(=O)N2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)c1 ZINC000331017485 554201368 /nfs/dbraw/zinc/20/13/68/554201368.db2.gz HSZURUBSPBSZMU-GJZGRUSLSA-N 1 0 362.474 2.276 20 30 FEEDRO C[C@H](NC(=O)N[C@@H]1CCO[C@H](c2cncn2C)C1)C(C)(C)C[NH+](C)C ZINC000331213022 554232059 /nfs/dbraw/zinc/23/20/59/554232059.db2.gz KWYGKMPOPZHFNT-LZWOXQAQSA-N 1 0 351.495 2.120 20 30 FEEDRO Cn1cc([C@H]2CN(C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)CCO2)cn1 ZINC000331226511 554233540 /nfs/dbraw/zinc/23/35/40/554233540.db2.gz FMYDKJZRPIHONW-CVEARBPZSA-N 1 0 351.495 2.074 20 30 FEEDRO COc1cccc(C[C@H](C)NC(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)c1 ZINC000331226169 554233635 /nfs/dbraw/zinc/23/36/35/554233635.db2.gz NGPGUEXNVWQHGE-HOTGVXAUSA-N 1 0 363.502 2.317 20 30 FEEDRO C[C@H]1CN(C(=O)C(C)(C)NC(=O)c2ccccc2)CC[N@@H+]1CC(C)(C)O ZINC000331299387 554243403 /nfs/dbraw/zinc/24/34/03/554243403.db2.gz QASHPSQKQQPLLI-HNNXBMFYSA-N 1 0 361.486 2.073 20 30 FEEDRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1Cc1ccc(C#N)cc1OC(F)F ZINC000331306757 554244325 /nfs/dbraw/zinc/24/43/25/554244325.db2.gz VYHZYIRDMVHNBM-ZDUSSCGKSA-N 1 0 353.413 2.437 20 30 FEEDRO COc1ccc(CNC(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)cc1NC(C)=O ZINC000331304867 554244642 /nfs/dbraw/zinc/24/46/42/554244642.db2.gz YRJNMZQMVXTYCG-SUMWQHHRSA-N 1 0 362.474 2.340 20 30 FEEDRO C=CCn1c(COCC)nnc1N1CC[NH+](CCc2cccs2)CC1 ZINC000508944786 561778942 /nfs/dbraw/zinc/77/89/42/561778942.db2.gz GZJDFUMIQFPZRA-UHFFFAOYSA-N 1 0 361.515 2.427 20 30 FEEDRO CC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCCN(c3nc(C)ccc3C#N)C2)C1 ZINC000331627993 554297979 /nfs/dbraw/zinc/29/79/79/554297979.db2.gz RJVXJDBQPZYEIO-MJGOQNOKSA-N 1 0 369.513 2.278 20 30 FEEDRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)Cc2c(F)cccc2C#N)CC1 ZINC000509502406 561802711 /nfs/dbraw/zinc/80/27/11/561802711.db2.gz XMRKQPUUENMEHV-IRXDYDNUSA-N 1 0 372.488 2.257 20 30 FEEDRO CCC[NH+]1CCC(NC(=O)CCc2c(C)nc3c(C#N)cnn3c2C)CC1 ZINC000332196540 554398922 /nfs/dbraw/zinc/39/89/22/554398922.db2.gz ZEIWMWUBGLOXTB-UHFFFAOYSA-N 1 0 368.485 2.141 20 30 FEEDRO N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000332222210 554403753 /nfs/dbraw/zinc/40/37/53/554403753.db2.gz AULPOQYXRLCEMT-KBPBESRZSA-N 1 0 373.400 2.482 20 30 FEEDRO CC(C)C1CCC([NH+]2CCN(C(=O)C(=O)N3CCC(C#N)CC3)CC2)CC1 ZINC000332521511 554461598 /nfs/dbraw/zinc/46/15/98/554461598.db2.gz PTGFEBGMVOWKPP-UHFFFAOYSA-N 1 0 374.529 2.108 20 30 FEEDRO C[C@H]1C[C@@H](NC(=O)N2CCN(c3cccc(F)c3C#N)CC2)CC[N@@H+]1C ZINC000332534705 554465872 /nfs/dbraw/zinc/46/58/72/554465872.db2.gz IKNPAJUTWNSUAC-GJZGRUSLSA-N 1 0 359.449 2.012 20 30 FEEDRO Cc1cccc([C@H]2CC[N@@H+](CC(=O)N3CCN([C@H](C#N)C(C)C)CC3)C2)c1 ZINC000332667962 554493913 /nfs/dbraw/zinc/49/39/13/554493913.db2.gz MJCGOAHHJNOCSB-LEWJYISDSA-N 1 0 368.525 2.477 20 30 FEEDRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)[C@@]2(C#N)CC23CCCC3)CC1 ZINC000333241149 554593219 /nfs/dbraw/zinc/59/32/19/554593219.db2.gz WKSHMZYHBLREQG-UEXGIBASSA-N 1 0 358.530 2.477 20 30 FEEDRO C[C@H](C#N)S(=O)(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)cc1 ZINC000510812994 561847138 /nfs/dbraw/zinc/84/71/38/561847138.db2.gz KTPPADGNFFGHJN-CQSZACIVSA-N 1 0 355.891 2.480 20 30 FEEDRO C[C@@]1(CNC(=O)N2CCCN(c3ccccc3C#N)CC2)CCC[NH2+]C1 ZINC000333765816 554640921 /nfs/dbraw/zinc/64/09/21/554640921.db2.gz BGEVJGKZCYFGJC-HXUWFJFHSA-N 1 0 355.486 2.170 20 30 FEEDRO C[C@@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CCC(F)(C#N)CC1 ZINC000510936419 561851669 /nfs/dbraw/zinc/85/16/69/561851669.db2.gz PFUMOKLNCFJWML-FUHWJXTLSA-N 1 0 358.461 2.093 20 30 FEEDRO C=CCOC[C@H]1NC(=O)N(C[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)C1=O ZINC000348608150 554691409 /nfs/dbraw/zinc/69/14/09/554691409.db2.gz ZWEUMDPFOUUBEM-MSOLQXFVSA-N 1 0 357.454 2.020 20 30 FEEDRO Cc1ccc(NC(=O)C(=O)NCC(C)(C)CCC#N)c(OCC[NH+](C)C)c1 ZINC000510997662 561853504 /nfs/dbraw/zinc/85/35/04/561853504.db2.gz CKKLHKXYVDHETJ-UHFFFAOYSA-N 1 0 374.485 2.320 20 30 FEEDRO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)[C@H]2C1 ZINC000359991567 554858387 /nfs/dbraw/zinc/85/83/87/554858387.db2.gz DWXWACRMNBWOTK-YHUYYLMFSA-N 1 0 351.491 2.302 20 30 FEEDRO C=C(C)COc1cc(C[NH2+][C@H]2CCN(c3ccn(C)n3)C2=O)ccc1OC ZINC000360091340 554862378 /nfs/dbraw/zinc/86/23/78/554862378.db2.gz BZDYZWDTWXANSI-INIZCTEOSA-N 1 0 370.453 2.279 20 30 FEEDRO CC(=O)N1CCC[C@H]1[C@H]1CCC[N@@H+]1CC(=O)N(CCC#N)c1ccccc1 ZINC000360403455 554873836 /nfs/dbraw/zinc/87/38/36/554873836.db2.gz YBDJRMREDMXXQN-UXHICEINSA-N 1 0 368.481 2.409 20 30 FEEDRO Cc1ccc(C#N)c(N2CCC[C@H](C(=O)NCC[NH+]3CCC(C)CC3)C2)n1 ZINC000360848901 554892412 /nfs/dbraw/zinc/89/24/12/554892412.db2.gz HYEFQPQNYBWJSX-IBGZPJMESA-N 1 0 369.513 2.326 20 30 FEEDRO N#Cc1ccccc1-c1ccc(CNC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)cc1 ZINC000362018643 554944984 /nfs/dbraw/zinc/94/49/84/554944984.db2.gz CDLZJTXSTCQBRR-NRFANRHFSA-N 1 0 360.461 2.231 20 30 FEEDRO N#Cc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCCCCC3)C2)cc1 ZINC000363196869 555050848 /nfs/dbraw/zinc/05/08/48/555050848.db2.gz XFIXYRYNNLLEAG-QGZVFWFLSA-N 1 0 354.454 2.410 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N2CCC[C@@H]2c2nncn2CC(C)C)CC1 ZINC000363249622 555063371 /nfs/dbraw/zinc/06/33/71/555063371.db2.gz AAHSZNGJXRABDB-QGZVFWFLSA-N 1 0 360.506 2.431 20 30 FEEDRO C[C@@H]1CN(C(=O)C2CC[NH+](CCOc3ccccc3C#N)CC2)C[C@@H](C)O1 ZINC000363291319 555072031 /nfs/dbraw/zinc/07/20/31/555072031.db2.gz AYGLHFFVCFFJJS-IAGOWNOFSA-N 1 0 371.481 2.285 20 30 FEEDRO CC(C)NC(=O)CCCC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000363387708 555092348 /nfs/dbraw/zinc/09/23/48/555092348.db2.gz JIVUDBWBWRAVEX-UHFFFAOYSA-N 1 0 370.497 2.287 20 30 FEEDRO N#Cc1ccc(NC(=O)C(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)cc1Cl ZINC000363557793 555136415 /nfs/dbraw/zinc/13/64/15/555136415.db2.gz LRYUKZGXAWJYEJ-YSVLISHTSA-N 1 0 372.856 2.093 20 30 FEEDRO CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC000363634632 555151416 /nfs/dbraw/zinc/15/14/16/555151416.db2.gz VVLQNSIEZUEERR-RBUKOAKNSA-N 1 0 354.454 2.362 20 30 FEEDRO C#CCN(C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cnn(C)c1)C1CCCC1 ZINC000363956746 555221476 /nfs/dbraw/zinc/22/14/76/555221476.db2.gz CUPROMHRCATXHB-LPHOPBHVSA-N 1 0 357.502 2.390 20 30 FEEDRO CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1CC(=O)N(C)C1(C#N)CCCCC1 ZINC000364019606 555234842 /nfs/dbraw/zinc/23/48/42/555234842.db2.gz LWMMPZHESFAIHS-QZTJIDSGSA-N 1 0 360.502 2.147 20 30 FEEDRO COC(=O)[C@H]1C[C@H]([NH2+][C@H]2CCC[C@H](C#N)C2)CN1C(=O)OC(C)(C)C ZINC000364030210 555236194 /nfs/dbraw/zinc/23/61/94/555236194.db2.gz JQHHLPOPEXSVAL-ZQDZILKHSA-N 1 0 351.447 2.209 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)[C@H]2CCN(c3ccc(F)c(F)c3)C2=O)CC1 ZINC000364193865 555267053 /nfs/dbraw/zinc/26/70/53/555267053.db2.gz ZIIQIYQZBNHOMI-OAHLLOKOSA-N 1 0 363.408 2.084 20 30 FEEDRO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC[C@@]2(C1)c1ccccc1NC2=O ZINC000364434590 555313674 /nfs/dbraw/zinc/31/36/74/555313674.db2.gz NNPZYNIIESYWPF-QVKFZJNVSA-N 1 0 366.465 2.313 20 30 FEEDRO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)C[C@@H](O)COC1CCOCC1 ZINC000512548226 561908818 /nfs/dbraw/zinc/90/88/18/561908818.db2.gz ZDZVQFUIYNJCTN-GOSISDBHSA-N 1 0 351.491 2.399 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N[C@H](c2cnn(C)c2)c2ccccc2)CC1 ZINC000364647510 555362448 /nfs/dbraw/zinc/36/24/48/555362448.db2.gz PBEFRMBLERUCCO-IBGZPJMESA-N 1 0 353.470 2.459 20 30 FEEDRO C[C@H](NC(=O)N1CCN(C2CC2)[C@@H](C#N)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000364681500 555373453 /nfs/dbraw/zinc/37/34/53/555373453.db2.gz IKBGSYRLHVFWIB-FCEWJHQRSA-N 1 0 359.518 2.021 20 30 FEEDRO CC[N@H+](C)C[C@H]1CCN(C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)C1 ZINC000364685560 555374615 /nfs/dbraw/zinc/37/46/15/555374615.db2.gz IKSXVUMBQHSQDD-OAHLLOKOSA-N 1 0 370.432 2.689 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N2CCC[C@@H]2c2ccc(CNC(C)=O)o2)CC1 ZINC000364711797 555382625 /nfs/dbraw/zinc/38/26/25/555382625.db2.gz CHCHQFVTUJGXHZ-GOSISDBHSA-N 1 0 374.485 2.413 20 30 FEEDRO C[NH+](C)CCNS(=O)(=O)c1cccc(NCc2cc(C#N)cs2)c1 ZINC000512658207 561911420 /nfs/dbraw/zinc/91/14/20/561911420.db2.gz PEXNKQTWGXBMEA-UHFFFAOYSA-N 1 0 364.496 2.072 20 30 FEEDRO N#Cc1cnccc1NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F ZINC000512710661 561913139 /nfs/dbraw/zinc/91/31/39/561913139.db2.gz XHXAVJXMCPNSIT-INIZCTEOSA-N 1 0 356.376 2.471 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)[C@H]2CC(=O)c3cc(Cl)ccc3O2)CC1 ZINC000364841942 555413257 /nfs/dbraw/zinc/41/32/57/555413257.db2.gz SMQPBDCXAWJLBV-GOSISDBHSA-N 1 0 360.841 2.278 20 30 FEEDRO C=CCN(C(=O)NOC[C@@H]1CCOC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000364959638 555450624 /nfs/dbraw/zinc/45/06/24/555450624.db2.gz XREUEVCQEGQKBZ-RTBURBONSA-N 1 0 359.470 2.427 20 30 FEEDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCC(=O)N1Cc1cccc(C#N)c1 ZINC000365030934 555469074 /nfs/dbraw/zinc/46/90/74/555469074.db2.gz ZNMYYWZHWDMPMS-RBUKOAKNSA-N 1 0 368.481 2.040 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCC1CCOCC1 ZINC000513070028 561924259 /nfs/dbraw/zinc/92/42/59/561924259.db2.gz QHXANXTVYOPBOZ-UHFFFAOYSA-N 1 0 358.486 2.448 20 30 FEEDRO C[C@H](C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1)N1CCSCC1 ZINC000365391360 555561336 /nfs/dbraw/zinc/56/13/36/555561336.db2.gz FFRNWNYLLCXLPW-QGZVFWFLSA-N 1 0 372.538 2.098 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)cc1Cl ZINC000365548071 555606041 /nfs/dbraw/zinc/60/60/41/555606041.db2.gz CNTZKBBYALWGHY-LXZKKBNFSA-N 1 0 365.886 2.316 20 30 FEEDRO C=CCN(CCc1ccccc1)C(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000513458127 561939100 /nfs/dbraw/zinc/93/91/00/561939100.db2.gz NUQBGXPBATXTGZ-QGZVFWFLSA-N 1 0 359.514 2.336 20 30 FEEDRO C[C@@H]1C[C@H](NC(=O)N2CCCN(c3ccc(C#N)cc3)CC2)C[N@@H+]1C1CC1 ZINC000365925476 555702451 /nfs/dbraw/zinc/70/24/51/555702451.db2.gz WYSOPOYUAYPTFY-AEFFLSMTSA-N 1 0 367.497 2.405 20 30 FEEDRO Cc1c(C#N)cccc1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000513608542 561944373 /nfs/dbraw/zinc/94/43/73/561944373.db2.gz JKAOWUNEWSYQDW-PZJWPPBQSA-N 1 0 363.461 2.480 20 30 FEEDRO N#Cc1cc(C(=O)N[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2CO)ccc1F ZINC000366203494 555780962 /nfs/dbraw/zinc/78/09/62/555780962.db2.gz KSTWGUIQKKSQMG-PXNSSMCTSA-N 1 0 367.424 2.310 20 30 FEEDRO COC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](Cc2ccc(OC)c(C#N)c2)CC1 ZINC000366422006 555838786 /nfs/dbraw/zinc/83/87/86/555838786.db2.gz RDSWGDUAUURVJD-MJGOQNOKSA-N 1 0 358.438 2.357 20 30 FEEDRO N#Cc1ccc(O[C@@H]2CC[N@@H+](CCc3nc4ccccc4c(=O)[nH]3)C2)nc1 ZINC000366425803 555840079 /nfs/dbraw/zinc/84/00/79/555840079.db2.gz XOQAKAVGDXWIMF-OAHLLOKOSA-N 1 0 361.405 2.298 20 30 FEEDRO CC[C@H]1CN(Cc2nnc(-c3ccc(C#N)cc3)o2)C[C@@]2(CCOC2)O1 ZINC000366579857 555881682 /nfs/dbraw/zinc/88/16/82/555881682.db2.gz XAXNXWIADJJJOR-QFBILLFUSA-N 1 0 354.410 2.378 20 30 FEEDRO COc1cc(C[NH2+][C@@H]2CCCN(c3ccccc3C(N)=O)C2)ccc1C#N ZINC000366926863 555972328 /nfs/dbraw/zinc/97/23/28/555972328.db2.gz KLCDGFPHHVOHGD-QGZVFWFLSA-N 1 0 364.449 2.424 20 30 FEEDRO C[C@@H](CC#N)N(C)S(=O)(=O)NC1CC[NH+](C2CCC(C)CC2)CC1 ZINC000367174822 556002794 /nfs/dbraw/zinc/00/27/94/556002794.db2.gz XNNWXMIJRRIPQQ-CKDBGZEDSA-N 1 0 356.536 2.098 20 30 FEEDRO Cn1cc([C@@H]2[C@H](CNc3cc(N)c([N+](=O)[O-])c(C#N)c3)CCC[N@@H+]2C)cn1 ZINC000367732385 556125819 /nfs/dbraw/zinc/12/58/19/556125819.db2.gz ZIBJGIBSKYDJEE-SJCJKPOMSA-N 1 0 369.429 2.277 20 30 FEEDRO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3ccc(N4CCOCC4)cc3)C2)nc1 ZINC000367776701 556136280 /nfs/dbraw/zinc/13/62/80/556136280.db2.gz GDAKKBUEMVSQDH-FQEVSTJZSA-N 1 0 364.449 2.443 20 30 FEEDRO COC(=O)[C@]12CCC[C@@H]1CN([C@H](C)C(=O)Nc1oc(C)c(C)c1C#N)C2 ZINC000367794136 556141029 /nfs/dbraw/zinc/14/10/29/556141029.db2.gz KRUUVWCMHFDGRT-TVZGQMOCSA-N 1 0 359.426 2.370 20 30 FEEDRO Cc1nn(C)c(N2CCC[N@H+](C)CC2)c1CNc1nccc(C)c1C#N ZINC000368357243 556286816 /nfs/dbraw/zinc/28/68/16/556286816.db2.gz JDZUFVHUCQUMQH-UHFFFAOYSA-N 1 0 353.474 2.058 20 30 FEEDRO COCCOc1ccc(CNC(=O)C[NH+]2CCC(CCC#N)CC2)cc1 ZINC000515379628 562008046 /nfs/dbraw/zinc/00/80/46/562008046.db2.gz JHOCFKIBNLIZAV-UHFFFAOYSA-N 1 0 359.470 2.344 20 30 FEEDRO C=CCn1c([C@H](C)OCCOC)nnc1N(C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000515333513 562005740 /nfs/dbraw/zinc/00/57/40/562005740.db2.gz STGXTFAZBJDAPO-YESZJQIVSA-N 1 0 365.522 2.355 20 30 FEEDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)CCC(=O)N(CCC#N)c3ccccc3)C[C@@H]21 ZINC000368588665 556354347 /nfs/dbraw/zinc/35/43/47/556354347.db2.gz GTYOYNBGAGDOMC-MJGOQNOKSA-N 1 0 368.481 2.266 20 30 FEEDRO CCC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1C[C@@H](O)COc1ccc(C#N)cc1 ZINC000368666139 556379336 /nfs/dbraw/zinc/37/93/36/556379336.db2.gz CJTPZUPPDPTOOP-YZGWKJHDSA-N 1 0 371.481 2.163 20 30 FEEDRO C=CC[C@@H](C(=O)N1CCN([C@@H]2CCCCNC2=O)CC1)c1ccccc1 ZINC000368749873 556404857 /nfs/dbraw/zinc/40/48/57/556404857.db2.gz JZSNJBBMICUUOD-RTBURBONSA-N 1 0 355.482 2.159 20 30 FEEDRO C#Cc1cccc(NC(=O)C(=O)NC2CC[NH+](Cc3cccs3)CC2)c1 ZINC000368795224 556414859 /nfs/dbraw/zinc/41/48/59/556414859.db2.gz NZTJORJSFSNGJW-UHFFFAOYSA-N 1 0 367.474 2.449 20 30 FEEDRO Cn1cc2c(n1)CCC[C@@H]2C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000369157960 556520495 /nfs/dbraw/zinc/52/04/95/556520495.db2.gz SNXBBOLEUCBYOA-SFHVURJKSA-N 1 0 365.481 2.302 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)s1 ZINC000369179544 556527350 /nfs/dbraw/zinc/52/73/50/556527350.db2.gz SXCREYVYZCJENQ-DOMZBBRYSA-N 1 0 351.497 2.257 20 30 FEEDRO C=CCN1CC[C@H]([NH+]2CCC(Cn3cc(Br)cn3)CC2)C1=O ZINC000369198805 556533246 /nfs/dbraw/zinc/53/32/46/556533246.db2.gz QHMJSJHPROKDHX-HNNXBMFYSA-N 1 0 367.291 2.145 20 30 FEEDRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H](Oc2ccccc2C#N)C(C)C)C1 ZINC000515970345 562026680 /nfs/dbraw/zinc/02/66/80/562026680.db2.gz MGFPQBBKOUUFCZ-ICSRJNTNSA-N 1 0 373.497 2.435 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N2CCC[C@H]2[C@H]2CCCN2C(=O)CC)CC1 ZINC000369403610 556592199 /nfs/dbraw/zinc/59/21/99/556592199.db2.gz WGXNXHSPKADGJD-MSOLQXFVSA-N 1 0 362.518 2.212 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N[C@H]2CCCN(c3cc(C)ccc3F)C2=O)CC1 ZINC000369413099 556595321 /nfs/dbraw/zinc/59/53/21/556595321.db2.gz JBSDESMHYHBOFO-SFHVURJKSA-N 1 0 371.456 2.091 20 30 FEEDRO Cn1cc([C@H]2[C@@H](CNC(=O)NCc3ccc(C#N)cc3)CCC[N@@H+]2C)cn1 ZINC000369427840 556598382 /nfs/dbraw/zinc/59/83/82/556598382.db2.gz RXBOZHAZKFYVOH-IEBWSBKVSA-N 1 0 366.469 2.174 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@H]2[C@@H]2CCCN2C(C)=O)CC1 ZINC000369433519 556599486 /nfs/dbraw/zinc/59/94/86/556599486.db2.gz FKVQTJYEXUHAMZ-OALUTQOASA-N 1 0 362.518 2.212 20 30 FEEDRO CN1C(=O)[C@H]2C[N@H+](Cc3ccc(-c4ccccc4C#N)cc3)CCN2C1=O ZINC000369460785 556605312 /nfs/dbraw/zinc/60/53/12/556605312.db2.gz FPONINAAHZHRAY-LJQANCHMSA-N 1 0 360.417 2.303 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)C2CCN(Cc3csc(C)n3)CC2)CC1 ZINC000369590666 556640904 /nfs/dbraw/zinc/64/09/04/556640904.db2.gz GJNLZQXWMIQSNE-UHFFFAOYSA-N 1 0 374.554 2.267 20 30 FEEDRO C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)Nc3sc(C(C)(C)C)cc3C#N)C[C@@H]21 ZINC000516248870 562037289 /nfs/dbraw/zinc/03/72/89/562037289.db2.gz NCUOVAXNDIQHIN-YPMHNXCESA-N 1 0 360.483 2.018 20 30 FEEDRO N#Cc1ccsc1NC(=O)CC[NH+]1CCC(CN2CCCC2=O)CC1 ZINC000369782012 556693378 /nfs/dbraw/zinc/69/33/78/556693378.db2.gz KOUXHHVUEPZISX-UHFFFAOYSA-N 1 0 360.483 2.283 20 30 FEEDRO N#C[C@@]1(C(=O)N2CC[NH+](CC3CCOCC3)CC2)CCc2ccccc2C1 ZINC000369851244 556712027 /nfs/dbraw/zinc/71/20/27/556712027.db2.gz IVBWZEFXYNOKIG-JOCHJYFZSA-N 1 0 367.493 2.256 20 30 FEEDRO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@H](Cc2nnc3ccccn32)C1 ZINC000369942608 556736580 /nfs/dbraw/zinc/73/65/80/556736580.db2.gz BWSAIYMKRMEPFW-OXQOHEQNSA-N 1 0 368.485 2.038 20 30 FEEDRO N#Cc1ccsc1N1CC[C@H](N2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)C1=O ZINC000370236649 556819004 /nfs/dbraw/zinc/81/90/04/556819004.db2.gz SXLOBHNUWGUWMO-QAETUUGQSA-N 1 0 356.495 2.141 20 30 FEEDRO C=CCn1c(C)cc(C(=O)CN2CCC[C@H]2C[N@@H+]2CCC[C@@H]2CO)c1C ZINC000370355158 556848971 /nfs/dbraw/zinc/84/89/71/556848971.db2.gz LDRADMLDHJKOAE-RBUKOAKNSA-N 1 0 359.514 2.395 20 30 FEEDRO C=CCC[C@H](O)C[NH+]1CCC([C@H]2CCCCCN2C(=O)COC)CC1 ZINC000370487426 556887442 /nfs/dbraw/zinc/88/74/42/556887442.db2.gz DOYYBKIVUOHTQP-RBUKOAKNSA-N 1 0 352.519 2.443 20 30 FEEDRO N#Cc1ccc(OC2CCC(NC(=O)N[C@@H]3CC[C@H](C[NH3+])C3)CC2)nc1 ZINC000516857349 562060733 /nfs/dbraw/zinc/06/07/33/562060733.db2.gz ZEQZLUPXHLBYOS-MHABSNSOSA-N 1 0 357.458 2.070 20 30 FEEDRO Cc1cc(CN2CCC([N@H+](C)C[C@@H](O)c3ccc(C#N)cc3)CC2)on1 ZINC000370557709 556908372 /nfs/dbraw/zinc/90/83/72/556908372.db2.gz PCIQKRSHXLPITG-HXUWFJFHSA-N 1 0 354.454 2.485 20 30 FEEDRO N#C[C@H]1CN(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)CCN1C1CC1 ZINC000370970090 557030952 /nfs/dbraw/zinc/03/09/52/557030952.db2.gz VOBNQUDLEBYGOQ-PMACEKPBSA-N 1 0 367.497 2.205 20 30 FEEDRO C=CCN1C(=O)c2ccc(C(=O)N3CCCC[C@H]3C[NH+](C)C)cc2C1=O ZINC000517082213 562075131 /nfs/dbraw/zinc/07/51/31/562075131.db2.gz WKVQIELAINMYKO-HNNXBMFYSA-N 1 0 355.438 2.025 20 30 FEEDRO C#CC[C@H](NC(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1)c1ccccc1 ZINC000371090855 557071843 /nfs/dbraw/zinc/07/18/43/557071843.db2.gz YRKSTNIIWZLDQM-QUCCMNQESA-N 1 0 354.498 2.219 20 30 FEEDRO C#CCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[C@]23NC(=O)N(C)C3=O)cc1 ZINC000371479802 557194158 /nfs/dbraw/zinc/19/41/58/557194158.db2.gz JTHQCWSNAIQTJN-UVFQYZLESA-N 1 0 355.438 2.070 20 30 FEEDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)N2CCC(C#N)(c3ccccn3)CC2)C1 ZINC000517589608 562093403 /nfs/dbraw/zinc/09/34/03/562093403.db2.gz STZASGIRCSSYJL-QGZVFWFLSA-N 1 0 355.486 2.379 20 30 FEEDRO CC1(C[NH+]2CCOCC2)CCN(C(=O)Cc2ccc(OCC#N)cc2)CC1 ZINC000371547593 557217776 /nfs/dbraw/zinc/21/77/76/557217776.db2.gz VNFHGQMJTVHGGY-UHFFFAOYSA-N 1 0 371.481 2.092 20 30 FEEDRO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+](C)C[C@H]1CCCN1c1cccnn1 ZINC000371548949 557218098 /nfs/dbraw/zinc/21/80/98/557218098.db2.gz BDZULLLLLCDDHQ-IAGOWNOFSA-N 1 0 370.501 2.108 20 30 FEEDRO N#CCc1ccc(OC[C@H](O)C[NH2+]CCOc2ccc(C#N)cc2)cc1 ZINC000517924822 562100785 /nfs/dbraw/zinc/10/07/85/562100785.db2.gz AFDCGAGJDVNDQR-GOSISDBHSA-N 1 0 351.406 2.033 20 30 FEEDRO C#CCOc1ccc(C(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cnn(C)c2)cc1 ZINC000371762715 557285878 /nfs/dbraw/zinc/28/58/78/557285878.db2.gz NWNHIPYIVSNJMV-PXNSSMCTSA-N 1 0 366.465 2.245 20 30 FEEDRO Cc1ccc(C#N)cc1S(=O)(=O)N1C[C@@H](C[NH+](C)C)Oc2ccccc21 ZINC000372018618 557357552 /nfs/dbraw/zinc/35/75/52/557357552.db2.gz XCESCTQRGSUJTO-MRXNPFEDSA-N 1 0 371.462 2.385 20 30 FEEDRO CC(C)Oc1ccc(NC(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cc1C#N ZINC000372086087 557376539 /nfs/dbraw/zinc/37/65/39/557376539.db2.gz GGOJIYNVIJWGEO-ROUUACIJSA-N 1 0 372.469 2.408 20 30 FEEDRO COc1ccc(C#N)cc1C[N@H+](C)C1CCN(CC(=O)N2CCCC2)CC1 ZINC000372184409 557402154 /nfs/dbraw/zinc/40/21/54/557402154.db2.gz DBKUAOVVAAVAMN-UHFFFAOYSA-N 1 0 370.497 2.085 20 30 FEEDRO Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N3[C@@H](C)C[NH+](C)C[C@@H]3C)C2)n1 ZINC000372305130 557434582 /nfs/dbraw/zinc/43/45/82/557434582.db2.gz MPFDENVXILDYJR-BQFCYCMXSA-N 1 0 355.486 2.029 20 30 FEEDRO CC[NH+](CC)[C@@H]1CCN(C(=O)Nc2cc(C)n(-c3cccc(C#N)c3)n2)C1 ZINC000372362885 557450189 /nfs/dbraw/zinc/45/01/89/557450189.db2.gz ALOGEKDWBQBAEY-GOSISDBHSA-N 1 0 366.469 3.000 20 30 FEEDRO C[NH+]1CCC2(CCCN2S(=O)(=O)c2cccc(Cl)c2C#N)CC1 ZINC000372398638 557460827 /nfs/dbraw/zinc/46/08/27/557460827.db2.gz RLKLBRNQWYRTJP-UHFFFAOYSA-N 1 0 353.875 2.461 20 30 FEEDRO N#Cc1ccsc1NC(=O)CC[NH+]1CCC(c2ccnn2CCO)CC1 ZINC000372544862 557499559 /nfs/dbraw/zinc/49/95/59/557499559.db2.gz HZIXNLSOWWKTJC-UHFFFAOYSA-N 1 0 373.482 2.017 20 30 FEEDRO C=CCN(C(=O)c1ccc(C(N)=O)nc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000372602686 557517712 /nfs/dbraw/zinc/51/77/12/557517712.db2.gz WQMKAZFRRCKMCS-SFHVURJKSA-N 1 0 364.449 2.083 20 30 FEEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000372979722 557602558 /nfs/dbraw/zinc/60/25/58/557602558.db2.gz IEUHFARHPKBSHU-UHFFFAOYSA-N 1 0 356.470 2.341 20 30 FEEDRO CCO[C@H](CC[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)C1CCCC1 ZINC000519772418 562143440 /nfs/dbraw/zinc/14/34/40/562143440.db2.gz UFHZKNFVRANMRA-QGZVFWFLSA-N 1 0 365.499 2.302 20 30 FEEDRO N#Cc1cnn(-c2ccc(C(=O)NC3CC([NH+]4CCCCC4)C3)cc2)c1N ZINC000373005900 557608061 /nfs/dbraw/zinc/60/80/61/557608061.db2.gz ZTRQQZNDMULVIO-UHFFFAOYSA-N 1 0 364.453 2.073 20 30 FEEDRO N#CCCN(C(=O)C[NH2+][C@@H]1CCCC[C@H]1N1CCOCC1)c1ccccc1 ZINC000373119557 557632854 /nfs/dbraw/zinc/63/28/54/557632854.db2.gz ZKBJKHWWPPRGRV-WOJBJXKFSA-N 1 0 370.497 2.166 20 30 FEEDRO COc1cccc(C(=O)NCC[NH2+][C@@H]2CCC[C@@H]3O[C@H](CC#N)C[C@H]32)c1 ZINC000373228493 557653696 /nfs/dbraw/zinc/65/36/96/557653696.db2.gz NUEFXKUWEMOJBT-HCXYKTFWSA-N 1 0 357.454 2.254 20 30 FEEDRO COc1cc2c(c(C[NH+]3CCC(n4cnc(C#N)n4)CC3)c1)O[C@H](C)C2 ZINC000373467521 557699203 /nfs/dbraw/zinc/69/92/03/557699203.db2.gz GTFDCYPGPGOFMI-CYBMUJFWSA-N 1 0 353.426 2.319 20 30 FEEDRO CCOC(=O)C1(NC(=O)C[C@H](CC#N)c2ccccc2)CC[NH+](C)CC1 ZINC000373536239 557713342 /nfs/dbraw/zinc/71/33/42/557713342.db2.gz HQGVKAJJNFEHGV-KRWDZBQOSA-N 1 0 357.454 2.218 20 30 FEEDRO C=CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CC[NH+](CCC)CC1 ZINC000520431752 562156420 /nfs/dbraw/zinc/15/64/20/562156420.db2.gz MLLVRUCAKIEUMY-UHFFFAOYSA-N 1 0 355.442 2.392 20 30 FEEDRO CN(C)[C@@H](C[NH2+]Cc1cnc2c(C#N)cnn2c1)c1c(F)cccc1F ZINC000520584339 562159587 /nfs/dbraw/zinc/15/95/87/562159587.db2.gz UOMRCTSGZKHZRA-INIZCTEOSA-N 1 0 356.380 2.272 20 30 FEEDRO C=CCN1C(=O)c2ccc(C(=O)NCC[NH+]3[C@@H](C)CCC[C@@H]3C)cc2C1=O ZINC000520761136 562163101 /nfs/dbraw/zinc/16/31/01/562163101.db2.gz WLEDJWRYCIXWOL-GJZGRUSLSA-N 1 0 369.465 2.461 20 30 FEEDRO C=CC[C@@H](CO)[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000520812811 562164318 /nfs/dbraw/zinc/16/43/18/562164318.db2.gz FSEJGQPJSABNBE-NWDGAFQWSA-N 1 0 364.667 2.369 20 30 FEEDRO COc1cc(C[NH+]2CCC(NC(=O)c3cccn3C)CC2)ccc1C#N ZINC000374206273 557843370 /nfs/dbraw/zinc/84/33/70/557843370.db2.gz SCRBSKZWIQAYCO-UHFFFAOYSA-N 1 0 352.438 2.300 20 30 FEEDRO C[NH+](C)Cc1ccc(C(=O)N2C[C@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)cc1 ZINC000374332393 557867077 /nfs/dbraw/zinc/86/70/77/557867077.db2.gz RRUMUPNMYFRMRQ-JTSKRJEESA-N 1 0 374.444 2.234 20 30 FEEDRO C[NH+](C)Cc1cccc(C(=O)N2C[C@@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)c1 ZINC000374379522 557875199 /nfs/dbraw/zinc/87/51/99/557875199.db2.gz HEVQRPNLNQMFCI-VGSWGCGISA-N 1 0 374.444 2.234 20 30 FEEDRO N#Cc1ccc(CN2CCC([NH2+][C@H]3CC(=O)N4CCCC[C@H]34)CC2)cc1 ZINC000374503958 557892305 /nfs/dbraw/zinc/89/23/05/557892305.db2.gz KFNZNVQOYWRSRD-VQTJNVASSA-N 1 0 352.482 2.266 20 30 FEEDRO COCC[N@H+](C)CCCNC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000521115137 562169894 /nfs/dbraw/zinc/16/98/94/562169894.db2.gz USKSIODGSHCHCP-UHFFFAOYSA-N 1 0 368.437 2.444 20 30 FEEDRO C[C@@H](NC(=O)N1CCO[C@H](c2cccc(C#N)c2)C1)C1=CC[N@H+](C)CC1 ZINC000374727538 557922188 /nfs/dbraw/zinc/92/21/88/557922188.db2.gz BQKIYAXKXNUUEA-BEFAXECRSA-N 1 0 354.454 2.292 20 30 FEEDRO Cc1ccc(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)c(=O)[nH]1 ZINC000374900467 557947964 /nfs/dbraw/zinc/94/79/64/557947964.db2.gz WSOAGQVTWMTAFU-UHFFFAOYSA-N 1 0 350.422 2.384 20 30 FEEDRO COC(=O)c1cc(C[NH2+]C2CCN(c3ccc(C#N)cn3)CC2)oc1C ZINC000375051550 557970197 /nfs/dbraw/zinc/97/01/97/557970197.db2.gz WNTDTWUVJJGRJF-UHFFFAOYSA-N 1 0 354.410 2.400 20 30 FEEDRO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CC[C@@H](c3nc(C4CC4)no3)C2)cc1 ZINC000375471097 558033054 /nfs/dbraw/zinc/03/30/54/558033054.db2.gz PPQNTISZANVLSR-HZPDHXFCSA-N 1 0 354.410 2.048 20 30 FEEDRO C#CCCCNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1c1cnn(C)c1 ZINC000375485628 558036085 /nfs/dbraw/zinc/03/60/85/558036085.db2.gz VHDCJIXHNQQCAG-UXHICEINSA-N 1 0 350.466 2.165 20 30 FEEDRO CC(C)(CCC#N)C[N@@H+]1CCC[C@H](n2ncc(N3CCOCC3)cc2=O)C1 ZINC000375573071 558051085 /nfs/dbraw/zinc/05/10/85/558051085.db2.gz VCSHANNJZXGCPR-KRWDZBQOSA-N 1 0 373.501 2.047 20 30 FEEDRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C[C@H](CC#N)c3ccccc3)CC2)C1 ZINC000375694214 558068807 /nfs/dbraw/zinc/06/88/07/558068807.db2.gz WIDOGODAMUYIBV-VQTJNVASSA-N 1 0 354.498 2.312 20 30 FEEDRO CCN(CCC#N)C(=O)CN1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000375762098 558078744 /nfs/dbraw/zinc/07/87/44/558078744.db2.gz XRFZULNUPABUKH-OAQYLSRUSA-N 1 0 354.498 2.347 20 30 FEEDRO C[C@@H](NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)c1csnn1 ZINC000521579152 562179267 /nfs/dbraw/zinc/17/92/67/562179267.db2.gz URFIZGDCXMYLMW-CQSZACIVSA-N 1 0 370.482 2.388 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)NC[C@H](CC(C)C)N2CCOCC2)CC1 ZINC000521583232 562179360 /nfs/dbraw/zinc/17/93/60/562179360.db2.gz YQJSSBXJWQPETE-IBGZPJMESA-N 1 0 366.550 2.073 20 30 FEEDRO C=CCC[C@H](O)C[N@@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3cnccn3)no2)C1 ZINC000375964841 558106330 /nfs/dbraw/zinc/10/63/30/558106330.db2.gz VYOUYUSOLZSLQP-ZRGWGRIASA-N 1 0 355.442 2.207 20 30 FEEDRO CC(C)[C@@](C)(C#N)NC(=O)CN1CCC2(C[C@H]2C(=O)N2CCCCC2)CC1 ZINC000376641014 558201920 /nfs/dbraw/zinc/20/19/20/558201920.db2.gz IHRYGACNCMRLOC-FXAWDEMLSA-N 1 0 374.529 2.155 20 30 FEEDRO CN(C)c1ncc(C[NH2+][C@H]2CCCN(c3ccc(C#N)cc3F)C2)cn1 ZINC000376743029 558215724 /nfs/dbraw/zinc/21/57/24/558215724.db2.gz RXPKRDHYXCNONI-INIZCTEOSA-N 1 0 354.433 2.312 20 30 FEEDRO C[C@H]1CCCC[N@@H+]1CCNC(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000376923464 558239855 /nfs/dbraw/zinc/23/98/55/558239855.db2.gz BAHDVLZDPICMDX-AWEZNQCLSA-N 1 0 353.430 2.135 20 30 FEEDRO N#CCC1(O)CN(C(=O)C2CC[NH+](Cc3ccc(Cl)s3)CC2)C1 ZINC000377281588 558305711 /nfs/dbraw/zinc/30/57/11/558305711.db2.gz WEUFXLJHXWKVJU-UHFFFAOYSA-N 1 0 353.875 2.100 20 30 FEEDRO C=CCN1C(=O)c2ccc(C(=O)N3[C@@H](C)C[NH+](CC)C[C@@H]3C)cc2C1=O ZINC000522030720 562189724 /nfs/dbraw/zinc/18/97/24/562189724.db2.gz NSVFUHGONJVTHB-KBPBESRZSA-N 1 0 355.438 2.023 20 30 FEEDRO CCCC[N@H+](C)C[C@H](C)NC(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000377554019 558363318 /nfs/dbraw/zinc/36/33/18/558363318.db2.gz KLNXJCZZAMQFDB-AWEZNQCLSA-N 1 0 355.446 2.381 20 30 FEEDRO CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1[C@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000377562401 558365167 /nfs/dbraw/zinc/36/51/67/558365167.db2.gz DWHGZDYAMRCSCZ-KBAYOESNSA-N 1 0 360.502 2.193 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N2CCCN(Cc3csc(CC)n3)CC2)CC1 ZINC000377601359 558374992 /nfs/dbraw/zinc/37/49/92/558374992.db2.gz PUONLCVIRLKMLC-UHFFFAOYSA-N 1 0 374.554 2.085 20 30 FEEDRO CN1CCC([NH+]2CCC(CCNc3nccc(C#N)c3[N+](=O)[O-])CC2)CC1 ZINC000378130814 558487693 /nfs/dbraw/zinc/48/76/93/558487693.db2.gz CAOIOSPGZYPCSS-UHFFFAOYSA-N 1 0 372.473 2.470 20 30 FEEDRO C[N@@H+]1CC[C@@H]2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3C#N)C[C@@H]21 ZINC000378459776 558562511 /nfs/dbraw/zinc/56/25/11/558562511.db2.gz ZPPHWSBYPUINRI-RISCZKNCSA-N 1 0 373.400 2.292 20 30 FEEDRO N#Cc1ccc(CNC(=O)C[N@@H+]2CC[C@@H](n3ncc4ccccc43)C2)cc1 ZINC000378564035 558584137 /nfs/dbraw/zinc/58/41/37/558584137.db2.gz HVCXKPDWJUXKLK-LJQANCHMSA-N 1 0 359.433 2.471 20 30 FEEDRO Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N3CCC[C@@H]([NH+](C)C)CC3)C2)n1 ZINC000408277758 558663436 /nfs/dbraw/zinc/66/34/36/558663436.db2.gz RDZWMMVBNCJRMN-RBUKOAKNSA-N 1 0 369.513 2.421 20 30 FEEDRO CC[N@H+](CCC1CCN(S(=O)(=O)N(C)C[C@@H](C)C#N)CC1)CC(C)C ZINC000409479166 558695590 /nfs/dbraw/zinc/69/55/90/558695590.db2.gz WAIPNBVQSPYLLB-KRWDZBQOSA-N 1 0 372.579 2.403 20 30 FEEDRO CCN(CCC#N)S(=O)(=O)NC[C@H](c1ccccc1)[NH+](CC)CC ZINC000409534440 558700823 /nfs/dbraw/zinc/70/08/23/558700823.db2.gz JEPJVHWBWPWBOY-QGZVFWFLSA-N 1 0 352.504 2.139 20 30 FEEDRO C[C@@H](C(=O)NCC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)n1cnc(C#N)n1 ZINC000409851837 558723441 /nfs/dbraw/zinc/72/34/41/558723441.db2.gz ANTHJMROWSAIHV-RYRKJORJSA-N 1 0 366.469 2.128 20 30 FEEDRO CCN(CCC#N)S(=O)(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000410131580 558740663 /nfs/dbraw/zinc/74/06/63/558740663.db2.gz SDPIQAQYLNRORX-HOCLYGCPSA-N 1 0 370.544 2.201 20 30 FEEDRO C=C(C)CN(C)C(=O)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000410815882 558813564 /nfs/dbraw/zinc/81/35/64/558813564.db2.gz UOSVBHUUQVOQSM-OALUTQOASA-N 1 0 355.482 2.001 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H](CC(C)(C)C)C(F)(F)F)CC1 ZINC000411265979 558863737 /nfs/dbraw/zinc/86/37/37/558863737.db2.gz WXNWYKJTMIMYQL-CYBMUJFWSA-N 1 0 363.424 2.236 20 30 FEEDRO CC(C)OC[C@H](CO)[N@H+](C)CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000411640346 558934010 /nfs/dbraw/zinc/93/40/10/558934010.db2.gz VQXZPZSLAQQBED-HNNXBMFYSA-N 1 0 353.850 2.258 20 30 FEEDRO CC(C)Oc1ccc(NC(=O)C(=O)NCC[C@@H]2CCC[N@H+](C)C2)cc1C#N ZINC000411667268 558939584 /nfs/dbraw/zinc/93/95/84/558939584.db2.gz HTRMRXAEOHNIRS-HNNXBMFYSA-N 1 0 372.469 2.132 20 30 FEEDRO CC1CC[NH+](CC(=O)NC2CCC(Oc3ncccc3C#N)CC2)CC1 ZINC000525872216 562258063 /nfs/dbraw/zinc/25/80/63/562258063.db2.gz FNFIVZDZCYZVAQ-UHFFFAOYSA-N 1 0 356.470 2.491 20 30 FEEDRO C[C@@H]1C[C@H](CNC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)[C@@H](C)O1 ZINC000413738379 559128119 /nfs/dbraw/zinc/12/81/19/559128119.db2.gz APVPQKVFOSBGID-GPMSIDNRSA-N 1 0 358.486 2.445 20 30 FEEDRO N#CCC[C@H](NC(=O)C(=O)Nc1ccc(OCC[NH3+])cc1)c1ccccc1 ZINC000414991001 559199382 /nfs/dbraw/zinc/19/93/82/559199382.db2.gz PTOKRRYAOBNNSM-SFHVURJKSA-N 1 0 366.421 2.124 20 30 FEEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCCO[C@H](C[NH3+])C2)cc1 ZINC000415010899 559200611 /nfs/dbraw/zinc/20/06/11/559200611.db2.gz HJEMRSXBTDLOHI-GOSISDBHSA-N 1 0 372.469 2.082 20 30 FEEDRO C[C@H]1C[NH2+]CCN1C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000415339166 559225404 /nfs/dbraw/zinc/22/54/04/559225404.db2.gz BGFKPAIWARSLDJ-AWEZNQCLSA-N 1 0 364.405 2.109 20 30 FEEDRO C[NH2+][C@H]1CCCN(C(=O)C(=O)Nc2ccccc2S[C@H](C)CC#N)C1 ZINC000415375037 559228871 /nfs/dbraw/zinc/22/88/71/559228871.db2.gz LBZDGPHHFRQPLM-KGLIPLIRSA-N 1 0 360.483 2.230 20 30 FEEDRO CC(C)[C@H]1CCc2c(C#N)c(NC(=O)C(=O)NC(C)(C)C[NH3+])sc2C1 ZINC000415377824 559228918 /nfs/dbraw/zinc/22/89/18/559228918.db2.gz GMKUFHCMARSABC-NSHDSACASA-N 1 0 362.499 2.173 20 30 FEEDRO C[C@H]([NH3+])C1CCN(C(=O)C(=O)Nc2scc(C(C)(C)C)c2C#N)CC1 ZINC000415382163 559229442 /nfs/dbraw/zinc/22/94/42/559229442.db2.gz JXUQMBCGPUCEII-NSHDSACASA-N 1 0 362.499 2.442 20 30 FEEDRO Cc1cc(=NC(=O)NC[C@@H]([NH3+])c2ccc(C(C)C)cc2)[nH]n1CCC#N ZINC000415387572 559230124 /nfs/dbraw/zinc/23/01/24/559230124.db2.gz QLDPTRXNMBGDHV-QGZVFWFLSA-N 1 0 354.458 3.050 20 30 FEEDRO CC[C@@H](C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1)N1CCCC1=O ZINC000415401359 559231620 /nfs/dbraw/zinc/23/16/20/559231620.db2.gz PNKDWDNKPUCKJT-SFHVURJKSA-N 1 0 368.481 2.062 20 30 FEEDRO C[NH2+]C[C@H](C)CNC(=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 ZINC000415405482 559232079 /nfs/dbraw/zinc/23/20/79/559232079.db2.gz CJMUAGZCZVPDSJ-AWEZNQCLSA-N 1 0 366.421 2.261 20 30 FEEDRO C[NH2+][C@@H]1CCCN(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)C1 ZINC000415447521 559238117 /nfs/dbraw/zinc/23/81/17/559238117.db2.gz HQDKXSLUODOICK-CQSZACIVSA-N 1 0 358.833 2.613 20 30 FEEDRO C[C@@H]1C[C@@H](NC(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)CC[NH2+]1 ZINC000415456517 559239091 /nfs/dbraw/zinc/23/90/91/559239091.db2.gz KQHKZLVAYMEULW-YPMHNXCESA-N 1 0 358.833 2.659 20 30 FEEDRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 ZINC000415460300 559239434 /nfs/dbraw/zinc/23/94/34/559239434.db2.gz NCFSHYNNQUDKBW-SWLSCSKDSA-N 1 0 356.405 2.617 20 30 FEEDRO COCCOc1ccc(C#N)cc1NC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000415463091 559239879 /nfs/dbraw/zinc/23/98/79/559239879.db2.gz IYMLTICQGRZAMA-XHSDSOJGSA-N 1 0 358.442 2.175 20 30 FEEDRO N#Cc1ccc(-n2ccc(NC(=O)N3CCC[C@@H](CC[NH3+])C3)n2)c(Cl)c1 ZINC000415465023 559240060 /nfs/dbraw/zinc/24/00/60/559240060.db2.gz SBCDNHVIAQDQCT-ZDUSSCGKSA-N 1 0 372.860 2.990 20 30 FEEDRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)Nc1ccccc1C#Cc1ccccc1 ZINC000415481501 559241937 /nfs/dbraw/zinc/24/19/37/559241937.db2.gz AUTUIVSJWAITFJ-LJQANCHMSA-N 1 0 361.445 2.235 20 30 FEEDRO N#CCCCN1C(=O)CCc2cc(NC(=O)NCC[C@@H]3CC[NH2+]C3)ccc21 ZINC000415562086 559249994 /nfs/dbraw/zinc/24/99/94/559249994.db2.gz OEUPCSLMDWWURR-HNNXBMFYSA-N 1 0 369.469 2.391 20 30 FEEDRO CC(C)(C)c1csc(NC(=O)C(=O)N2CCC3(C2)CC[NH2+]CC3)c1C#N ZINC000415563878 559250197 /nfs/dbraw/zinc/25/01/97/559250197.db2.gz YUGCTZZKKVTTKV-UHFFFAOYSA-N 1 0 374.510 2.458 20 30 FEEDRO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)Nc2ccccc2C#Cc2ccccc2)C1 ZINC000415585331 559252728 /nfs/dbraw/zinc/25/27/28/559252728.db2.gz XEIPIJUEBRULPJ-LPHOPBHVSA-N 1 0 361.445 2.221 20 30 FEEDRO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)Nc2cccc(C#Cc3ccccc3)c2)C1 ZINC000415588527 559253182 /nfs/dbraw/zinc/25/31/82/559253182.db2.gz ZZXBXWUUONPHID-LPHOPBHVSA-N 1 0 361.445 2.221 20 30 FEEDRO CC(C)C[C@](C)(C[NH3+])NC(=O)Nc1ccc(S(=O)(=O)[C@H](C)C#N)cc1 ZINC000415600781 559254198 /nfs/dbraw/zinc/25/41/98/559254198.db2.gz OTVNIAMNVOWPKE-CXAGYDPISA-N 1 0 366.487 2.257 20 30 FEEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000415612100 559255128 /nfs/dbraw/zinc/25/51/28/559255128.db2.gz ZILZDQHBSCIMEQ-AUUYWEPGSA-N 1 0 372.494 2.231 20 30 FEEDRO C=CCCc1ccccc1NC(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000415670102 559260240 /nfs/dbraw/zinc/26/02/40/559260240.db2.gz GUTYPCJHDZDMTP-SFHVURJKSA-N 1 0 370.497 2.481 20 30 FEEDRO CC[C@@H]([NH3+])CNC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C ZINC000415785969 559270927 /nfs/dbraw/zinc/27/09/27/559270927.db2.gz LHQVNQAXWOXCHT-OAHLLOKOSA-N 1 0 366.421 2.451 20 30 FEEDRO O=C(Nc1cccc(C#Cc2ccccc2)c1)C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000415792828 559271499 /nfs/dbraw/zinc/27/14/99/559271499.db2.gz TXYMXSXNTOKDQX-PZJWPPBQSA-N 1 0 373.456 2.235 20 30 FEEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000415823903 559275420 /nfs/dbraw/zinc/27/54/20/559275420.db2.gz SHQOMEZCKCMVBP-ZDUSSCGKSA-N 1 0 360.483 2.230 20 30 FEEDRO Cc1cccc(NC(=O)C(=O)N[C@@H](CCC[NH3+])c2ccccc2)c1C#N ZINC000415825555 559275616 /nfs/dbraw/zinc/27/56/16/559275616.db2.gz ADDDKIFAAPBXRU-KRWDZBQOSA-N 1 0 350.422 2.402 20 30 FEEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000415844007 559277681 /nfs/dbraw/zinc/27/76/81/559277681.db2.gz TXJRTXDWBZTRLJ-PJIJBLCYSA-N 1 0 374.510 2.463 20 30 FEEDRO CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)C(=O)Nc2ccc(C#N)cc2Cl)CC1 ZINC000415848085 559278176 /nfs/dbraw/zinc/27/81/76/559278176.db2.gz CPHKNOQZDLNSLK-MRXNPFEDSA-N 1 0 374.872 2.387 20 30 FEEDRO O=C(Nc1cccc(C#Cc2ccccc2)c1)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000415865930 559279707 /nfs/dbraw/zinc/27/97/07/559279707.db2.gz JGYPDFBHLCTINO-WOJBJXKFSA-N 1 0 373.456 2.093 20 30 FEEDRO CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2Cl)CC1 ZINC000415869342 559280144 /nfs/dbraw/zinc/28/01/44/559280144.db2.gz ZWJOXJBVFVGSEJ-MRXNPFEDSA-N 1 0 374.872 2.387 20 30 FEEDRO CC1(C)C[NH2+][C@H]1C1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2Cl)CC1 ZINC000415869338 559280145 /nfs/dbraw/zinc/28/01/45/559280145.db2.gz ZWJOXJBVFVGSEJ-INIZCTEOSA-N 1 0 374.872 2.387 20 30 FEEDRO C=C(C)COc1cccc(NC(=O)C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000415875144 559280574 /nfs/dbraw/zinc/28/05/74/559280574.db2.gz YEPUSPKYNBERAS-BFYDXBDKSA-N 1 0 357.454 2.084 20 30 FEEDRO C[NH+](C)[C@H](CC(=O)N1CCN(c2ccc(C#N)cn2)CC1)c1ccccc1 ZINC000416134952 559293645 /nfs/dbraw/zinc/29/36/45/559293645.db2.gz QBEHCCYCPGVGOK-LJQANCHMSA-N 1 0 363.465 2.295 20 30 FEEDRO CC[NH+](CC)CCOCCNC(=O)Nc1cc(C)c(N(C)C)cc1C#N ZINC000417124876 559348993 /nfs/dbraw/zinc/34/89/93/559348993.db2.gz AHBPADLISDRLSK-UHFFFAOYSA-N 1 0 361.490 2.413 20 30 FEEDRO C[C@@H]1CCN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)[C@@H](C[NH3+])C1 ZINC000417568280 559367201 /nfs/dbraw/zinc/36/72/01/559367201.db2.gz BEYOZQBODYLAGK-DJIMGWMZSA-N 1 0 373.476 2.435 20 30 FEEDRO C[C@@H]([NH3+])c1ccc(CNC(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1 ZINC000418460373 559402675 /nfs/dbraw/zinc/40/26/75/559402675.db2.gz JWUFNXXYJYGPGG-RDTXWAMCSA-N 1 0 365.437 2.336 20 30 FEEDRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000418604981 559407533 /nfs/dbraw/zinc/40/75/33/559407533.db2.gz YHECQEDRXXYXCL-CXAGYDPISA-N 1 0 360.433 2.248 20 30 FEEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)NCC1(COC)CC[NH2+]CC1 ZINC000418639130 559409074 /nfs/dbraw/zinc/40/90/74/559409074.db2.gz MBNWUKRPZPWYFC-UHFFFAOYSA-N 1 0 356.470 2.272 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC[C@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000418812332 559417047 /nfs/dbraw/zinc/41/70/47/559417047.db2.gz BFUVPQXAKKFJJQ-FHWLQOOXSA-N 1 0 373.497 2.023 20 30 FEEDRO C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)NCC1([NH3+])CCCCCC1 ZINC000419065107 559426872 /nfs/dbraw/zinc/42/68/72/559426872.db2.gz YXGINHLRFHRQKS-SFHVURJKSA-N 1 0 357.498 2.458 20 30 FEEDRO C=CCCC[C@H](C)NC(=O)C(=O)N1CCNC[C@H]1c1ccccc1OC ZINC000419155524 559430386 /nfs/dbraw/zinc/43/03/86/559430386.db2.gz RRKUEOSGFFRXAA-RDJZCZTQSA-N 1 0 359.470 2.029 20 30 FEEDRO C[C@H](C[NH3+])N(C)C(=O)C(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000419208273 559432616 /nfs/dbraw/zinc/43/26/16/559432616.db2.gz NYCGNOOZOIYIOD-CABCVRRESA-N 1 0 364.449 2.208 20 30 FEEDRO C[NH2+]CCN(C)C(=O)C(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000419214297 559432764 /nfs/dbraw/zinc/43/27/64/559432764.db2.gz XKFCBGTVDHGXKE-HNNXBMFYSA-N 1 0 364.449 2.080 20 30 FEEDRO CC[C@](C[NH2+][C@H](C(N)=O)c1ccc(C#N)cc1)(C(=O)OC)c1ccccc1 ZINC000419357463 559439409 /nfs/dbraw/zinc/43/94/09/559439409.db2.gz PFNHJBWHRGFFHT-GHTZIAJQSA-N 1 0 365.433 2.195 20 30 FEEDRO CC[C@@](C[NH2+][C@H](C)C(=O)NC1(C#N)CCC1)(C(=O)OC)c1ccccc1 ZINC000419365871 559439753 /nfs/dbraw/zinc/43/97/53/559439753.db2.gz YNOBBHGGZVHIKV-QRWLVFNGSA-N 1 0 357.454 2.048 20 30 FEEDRO C=CCC[C@@H](NC(=O)C(=O)N1CC[NH2+]CC1)c1ccc(C(F)(F)F)cc1 ZINC000419468644 559443938 /nfs/dbraw/zinc/44/39/38/559443938.db2.gz BQNNQVROHAPKOV-OAHLLOKOSA-N 1 0 369.387 2.261 20 30 FEEDRO C=CCC[C@H](NC(=O)C(=O)NCC[NH2+]C)c1ccc(C(F)(F)F)cc1 ZINC000419468512 559444020 /nfs/dbraw/zinc/44/40/20/559444020.db2.gz BCYHDQANRWAMQG-AWEZNQCLSA-N 1 0 357.376 2.165 20 30 FEEDRO CCCN(C(=O)C(=O)N[C@H](CCC#N)c1ccccc1)C1CC[NH2+]CC1 ZINC000419480085 559444544 /nfs/dbraw/zinc/44/45/44/559444544.db2.gz VOAZCEKXPSHELB-GOSISDBHSA-N 1 0 356.470 2.138 20 30 FEEDRO N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)C(=O)NCC1([NH3+])CCCCC1 ZINC000419804671 559460175 /nfs/dbraw/zinc/46/01/75/559460175.db2.gz ONYWYFUKISWIGM-QZTJIDSGSA-N 1 0 368.481 2.063 20 30 FEEDRO C=CCC[C@H]1NC(=O)N(CCC[NH+]2CCN(c3cccc(C)c3)CC2)C1=O ZINC000419934990 559465470 /nfs/dbraw/zinc/46/54/70/559465470.db2.gz GQTWDIUEEGFINH-LJQANCHMSA-N 1 0 370.497 2.394 20 30 FEEDRO C=CCC[C@H]1NC(=O)N(C[C@H]2CSCC[N@@H+]2Cc2ccccc2)C1=O ZINC000419938780 559465560 /nfs/dbraw/zinc/46/55/60/559465560.db2.gz QGGPHKFJIGCYSD-DLBZAZTESA-N 1 0 359.495 2.491 20 30 FEEDRO C[C@@H](CCCC[NH3+])NS(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000420419609 559486787 /nfs/dbraw/zinc/48/67/87/559486787.db2.gz ICUQTFZLGMDJDZ-JTQLQIEISA-N 1 0 360.277 2.117 20 30 FEEDRO C[C@@H]1CCN(S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)[C@@H](C[NH3+])C1 ZINC000420426337 559486906 /nfs/dbraw/zinc/48/69/06/559486906.db2.gz UQMNYLPUSBBBOK-ZYHUDNBSSA-N 1 0 361.389 2.325 20 30 FEEDRO N#Cc1cc(S(=O)(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)ccc1Cl ZINC000420465291 559488881 /nfs/dbraw/zinc/48/88/81/559488881.db2.gz YMYDSBZOACSTMG-STQMWFEESA-N 1 0 353.875 2.222 20 30 FEEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1C[C@H](C)C[C@@H](CO)C1 ZINC000420950824 559513447 /nfs/dbraw/zinc/51/34/47/559513447.db2.gz WQPFRBODLDJKEH-IXDOHACOSA-N 1 0 359.470 2.281 20 30 FEEDRO CCOC(=O)c1c(NC(=O)N[C@H]2CCC[N@H+](C)[C@H]2C)c(C#N)cn1CC ZINC000421173673 559528749 /nfs/dbraw/zinc/52/87/49/559528749.db2.gz MCXSNBCQAZEFJQ-JSGCOSHPSA-N 1 0 361.446 2.161 20 30 FEEDRO CCOC(=O)c1c(NC(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)c(C#N)cn1CC ZINC000421179341 559529178 /nfs/dbraw/zinc/52/91/78/559529178.db2.gz ZTNIZCXDALJDSP-TZMCWYRMSA-N 1 0 361.446 2.161 20 30 FEEDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000421298121 559536935 /nfs/dbraw/zinc/53/69/35/559536935.db2.gz MLMQXJHNIBLMLG-ZDUSSCGKSA-N 1 0 368.359 2.068 20 30 FEEDRO C[C@H](CN1CCN(c2ccccn2)CC1)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000421367750 559540330 /nfs/dbraw/zinc/54/03/30/559540330.db2.gz UEJLOTQPSQFPJR-MRXNPFEDSA-N 1 0 353.445 2.393 20 30 FEEDRO C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000421793853 559553710 /nfs/dbraw/zinc/55/37/10/559553710.db2.gz YOKLWUVBMZKWCT-HXUWFJFHSA-N 1 0 369.509 2.281 20 30 FEEDRO C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000422071215 559563765 /nfs/dbraw/zinc/56/37/65/559563765.db2.gz MGVISYPJBIYUDN-QYZOEREBSA-N 1 0 355.482 2.033 20 30 FEEDRO C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000422520482 559592570 /nfs/dbraw/zinc/59/25/70/559592570.db2.gz BZTCRISTFOPWKL-WOJBJXKFSA-N 1 0 371.525 2.384 20 30 FEEDRO C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)NC[C@@H]1CC[N@@H+](CCC)C1 ZINC000422548030 559594384 /nfs/dbraw/zinc/59/43/84/559594384.db2.gz YIGZAQVEZPRFMO-RBUKOAKNSA-N 1 0 357.498 2.138 20 30 FEEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000423016108 559615175 /nfs/dbraw/zinc/61/51/75/559615175.db2.gz AYRJIOIPPVHHMM-MRXNPFEDSA-N 1 0 355.891 2.113 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)C(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000423020143 559615208 /nfs/dbraw/zinc/61/52/08/559615208.db2.gz YXOQRXRZYUBHGV-HOTGVXAUSA-N 1 0 361.511 2.111 20 30 FEEDRO COC(=O)Cc1sc(NC(=O)[C@H]([NH3+])CCCC#N)nc1-c1ccccc1 ZINC000424101260 559654802 /nfs/dbraw/zinc/65/48/02/559654802.db2.gz JISSSYLZFNIHOE-CYBMUJFWSA-N 1 0 372.450 2.485 20 30 FEEDRO N#CCCC[C@@H]([NH3+])C(=O)N1CCc2c(ncn2CCc2ccccc2)C1 ZINC000424176443 559656694 /nfs/dbraw/zinc/65/66/94/559656694.db2.gz XTTRDRKIHLDPHZ-QGZVFWFLSA-N 1 0 351.454 2.032 20 30 FEEDRO N#CCCC[C@H]([NH3+])C(=O)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000424178873 559656960 /nfs/dbraw/zinc/65/69/60/559656960.db2.gz XPVPWTBAZISQRW-UONOGXRCSA-N 1 0 369.252 2.236 20 30 FEEDRO N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)N[C@@H]2CCCC[C@H]2[NH3+])n1 ZINC000424415902 559663645 /nfs/dbraw/zinc/66/36/45/559663645.db2.gz KFCLHIOTNIDLAC-ZIAGYGMSSA-N 1 0 358.833 2.789 20 30 FEEDRO C=CCC1(C(=O)NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CCOCC1 ZINC000424697107 559673878 /nfs/dbraw/zinc/67/38/78/559673878.db2.gz NZAZUAOUEQFDBE-OAQYLSRUSA-N 1 0 358.482 2.113 20 30 FEEDRO C=CCn1cc(CNC(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)nn1 ZINC000424908017 559679760 /nfs/dbraw/zinc/67/97/60/559679760.db2.gz MTJOOZLFYWRKHV-MRXNPFEDSA-N 1 0 357.433 2.132 20 30 FEEDRO C=CCn1cc(CNC(=O)[C@@H](C)[NH+]2CCC(Cc3ccccc3)CC2)nn1 ZINC000424909453 559679792 /nfs/dbraw/zinc/67/97/92/559679792.db2.gz UEUULQYYVZEEKQ-QGZVFWFLSA-N 1 0 367.497 2.424 20 30 FEEDRO CC(C)(C)N1CC[C@@H]([N@@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)C1=O ZINC000425384562 559699189 /nfs/dbraw/zinc/69/91/89/559699189.db2.gz MARWGRDYDRGJOA-LJQANCHMSA-N 1 0 354.498 2.465 20 30 FEEDRO N#Cc1ccsc1NC(=O)C[NH2+][C@@H](C1CCOCC1)C1(CO)CCC1 ZINC000425534663 559708216 /nfs/dbraw/zinc/70/82/16/559708216.db2.gz FGKSWRLZXFTDDZ-INIZCTEOSA-N 1 0 363.483 2.106 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000425778786 559719231 /nfs/dbraw/zinc/71/92/31/559719231.db2.gz BKKQNTCGKVPLJV-HKUYNNGSSA-N 1 0 371.481 2.318 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000425864684 559723299 /nfs/dbraw/zinc/72/32/99/559723299.db2.gz ZRVVXOIYBCWRSO-OALUTQOASA-N 1 0 356.470 2.223 20 30 FEEDRO C[C@@H](C[NH+]1CCCCCC1)NC(=O)C(=O)N(C)[C@@H](C)c1cccc(C#N)c1 ZINC000425891004 559724304 /nfs/dbraw/zinc/72/43/04/559724304.db2.gz OIFHJHBHJFGXCY-IRXDYDNUSA-N 1 0 370.497 2.458 20 30 FEEDRO CC[C@@]1(O)CC[N@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC000425918227 559725196 /nfs/dbraw/zinc/72/51/96/559725196.db2.gz LAEGLFUKADQGGQ-QGZVFWFLSA-N 1 0 354.372 2.020 20 30 FEEDRO CC1CC[NH+](C[C@H](O)CNC(=O)Nc2ccc(C#N)cc2Cl)CC1 ZINC000426125452 559729920 /nfs/dbraw/zinc/72/99/20/559729920.db2.gz DUYVGMQBJRNJNF-CQSZACIVSA-N 1 0 350.850 2.426 20 30 FEEDRO Cc1ccc(OC[C@@H](O)C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)c(C)c1 ZINC000428771056 559782839 /nfs/dbraw/zinc/78/28/39/559782839.db2.gz HGDJZWAMWBYFQJ-RBUKOAKNSA-N 1 0 367.449 2.463 20 30 FEEDRO N#Cc1ccc(O[C@H]2CC[N@@H+](CCOc3ccc([N+](=O)[O-])cc3)C2)nc1 ZINC000428804110 559783628 /nfs/dbraw/zinc/78/36/28/559783628.db2.gz GUNYKJKOUYNFAL-KRWDZBQOSA-N 1 0 354.366 2.394 20 30 FEEDRO C[NH+](C)Cc1ccc(S(=O)(=O)N2CC(Oc3ccc(C#N)cc3)C2)cc1 ZINC000433876915 559889409 /nfs/dbraw/zinc/88/94/09/559889409.db2.gz IVYMYQJVNZSWTG-UHFFFAOYSA-N 1 0 371.462 2.072 20 30 FEEDRO CN(C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000434739662 559908333 /nfs/dbraw/zinc/90/83/33/559908333.db2.gz WLCAZRISPNKDLG-SLFFLAALSA-N 1 0 363.465 2.104 20 30 FEEDRO CC(=O)NC[C@@H]1CCC[N@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000434834844 559910525 /nfs/dbraw/zinc/91/05/25/559910525.db2.gz VTAWXOXYEGAJPF-KRWDZBQOSA-N 1 0 366.469 2.207 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CC[C@@H](OCC[NH+](CC)CC)C1 ZINC000438061930 559973552 /nfs/dbraw/zinc/97/35/52/559973552.db2.gz VLRYMLAJJWFXSL-KURKYZTESA-N 1 0 353.507 2.110 20 30 FEEDRO CCC[N@H+](C)C[C@H]1CCN(S(=O)(=O)Cc2ccc(C#N)cc2F)C1 ZINC000440056984 560003979 /nfs/dbraw/zinc/00/39/79/560003979.db2.gz VILHASKSROROSQ-OAHLLOKOSA-N 1 0 353.463 2.191 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2CCC[C@@H](CC[NH3+])C2)cc1C(F)(F)F ZINC000440803406 560018378 /nfs/dbraw/zinc/01/83/78/560018378.db2.gz ASCWKFBGSKMZJM-NSHDSACASA-N 1 0 361.389 2.327 20 30 FEEDRO CCN1C[C@@H](C)N(C(=O)C(=O)Nc2ccc(OC(C)C)c(C#N)c2)C[C@H]1C ZINC000441088756 560023335 /nfs/dbraw/zinc/02/33/35/560023335.db2.gz QSAHWHCEUDEPIS-HUUCEWRRSA-N 1 0 372.469 2.225 20 30 FEEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H](Cn1ccnc1)c1ccc(C)cc1C ZINC000441388534 560031073 /nfs/dbraw/zinc/03/10/73/560031073.db2.gz RZOAWLDGNMUNCZ-FUHWJXTLSA-N 1 0 369.469 2.231 20 30 FEEDRO C[C@H](NC(=O)C(=O)Nc1ccc(C#N)cc1F)[C@@H](c1ccccc1)[NH+](C)C ZINC000441716530 560038202 /nfs/dbraw/zinc/03/82/02/560038202.db2.gz ODCLPTKALARGCF-UGSOOPFHSA-N 1 0 368.412 2.443 20 30 FEEDRO C=CC[C@H]1[N@H+](CC(=O)NCC(C)(C)N2CCOCC2)CCCC1(C)C ZINC000444781212 560120784 /nfs/dbraw/zinc/12/07/84/560120784.db2.gz GWUDMRXGYFJNST-QGZVFWFLSA-N 1 0 351.535 2.280 20 30 FEEDRO C[C@@H]1[C@@H](NC(=O)NC2CCC(Oc3ncccc3C#N)CC2)CCC[N@@H+]1C ZINC000446629705 560148825 /nfs/dbraw/zinc/14/88/25/560148825.db2.gz VXXUCUGMCMINHH-LTDKPHRXSA-N 1 0 371.485 2.425 20 30 FEEDRO CCN(C[C@H](C)C#N)C(=O)C[N@H+](Cc1ccccc1)C[C@@]1(O)CCO[C@H]1C ZINC000447922454 560172972 /nfs/dbraw/zinc/17/29/72/560172972.db2.gz AOJDJVYNKJRSBK-LQWHRVPQSA-N 1 0 373.497 2.037 20 30 FEEDRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNS(=O)(=O)Cc1cc(C#N)ccc1F ZINC000447927569 560173422 /nfs/dbraw/zinc/17/34/22/560173422.db2.gz BNVMSQZQXLIAFD-INIZCTEOSA-N 1 0 353.463 2.237 20 30 FEEDRO COCC[N@@H+]1CCCN(C(=O)c2cccc(C#N)c2Br)CC1 ZINC000448799934 560200063 /nfs/dbraw/zinc/20/00/63/560200063.db2.gz YTXIJSSRBXYLRH-UHFFFAOYSA-N 1 0 366.259 2.115 20 30 FEEDRO CC(C)(C)[NH2+]CCNC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 ZINC000449910176 560244948 /nfs/dbraw/zinc/24/49/48/560244948.db2.gz FGZKQSSGYZSEHJ-ZDUSSCGKSA-N 1 0 362.861 2.069 20 30 FEEDRO CN(C(=O)COc1cccc(Br)c1C#N)[C@H]1CCC[N@H+](C)C1 ZINC000449944815 560246081 /nfs/dbraw/zinc/24/60/81/560246081.db2.gz KVUVZEFDGDFKGR-LBPRGKRZSA-N 1 0 366.259 2.252 20 30 FEEDRO CN(C(=O)COc1ccc(C#N)c(Br)c1)[C@H]1CCC[N@H+](C)C1 ZINC000449943886 560245945 /nfs/dbraw/zinc/24/59/45/560245945.db2.gz DFXURPOPIXAWSU-ZDUSSCGKSA-N 1 0 366.259 2.252 20 30 FEEDRO COc1cccc([C@H](CNc2nc3c(cc2C#N)COCC3)[NH+](C)C)c1 ZINC000450214542 560254204 /nfs/dbraw/zinc/25/42/04/560254204.db2.gz KHDNWBBMRMXPBK-IBGZPJMESA-N 1 0 352.438 2.749 20 30 FEEDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)Cc2ccc(F)cc2C#N)C[C@@H]1C ZINC000451236053 560294922 /nfs/dbraw/zinc/29/49/22/560294922.db2.gz MKIDWSUKJZIZAP-GUYCJALGSA-N 1 0 353.463 2.332 20 30 FEEDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)S(=O)(=O)c1ccc(CC#N)cc1Cl ZINC000451238807 560295172 /nfs/dbraw/zinc/29/51/72/560295172.db2.gz DXPDJKIYTBXUEY-IUODEOHRSA-N 1 0 355.891 2.367 20 30 FEEDRO CC1(C)COC[C@H]1[NH2+]CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000451810501 560330011 /nfs/dbraw/zinc/33/00/11/560330011.db2.gz OWOXUJJVETYTLJ-OAHLLOKOSA-N 1 0 354.372 2.188 20 30 FEEDRO C[C@@H]1CN(S(=O)(=O)CC2(CC#N)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000451921636 560337541 /nfs/dbraw/zinc/33/75/41/560337541.db2.gz CONDLMRZQPJYBX-KRWDZBQOSA-N 1 0 361.511 2.464 20 30 FEEDRO C[C@@H](CNC(=O)COc1ccc(C#N)c(Br)c1)C[NH+](C)C ZINC000452009450 560345137 /nfs/dbraw/zinc/34/51/37/560345137.db2.gz UNYNUMLQPKFHTH-NSHDSACASA-N 1 0 354.248 2.013 20 30 FEEDRO Cc1cc(C#N)cc(NC(=O)C(=O)N[C@@H](C[NH+](C)C)c2ccccc2)c1 ZINC000453593976 560390306 /nfs/dbraw/zinc/39/03/06/560390306.db2.gz UCVOVYBQVJNSSY-SFHVURJKSA-N 1 0 350.422 2.224 20 30 FEEDRO Cc1cc(C#N)cc(NC(=O)C(=O)NCCCC[NH+]2CCC(C)CC2)c1 ZINC000453599235 560390370 /nfs/dbraw/zinc/39/03/70/560390370.db2.gz MPLDTLWYAHKZBW-UHFFFAOYSA-N 1 0 356.470 2.434 20 30 FEEDRO C[C@H]1CCC[N@H+](CCNC(=O)C(=O)Nc2ccc(CC#N)cc2Cl)C1 ZINC000453608152 560391010 /nfs/dbraw/zinc/39/10/10/560391010.db2.gz OQDQVAAIXZORJJ-ZDUSSCGKSA-N 1 0 362.861 2.193 20 30 FEEDRO Cc1cc(C#N)cc(NC(=O)C(=O)NCC[N@@H+](C)Cc2ccccc2)c1 ZINC000453614853 560391248 /nfs/dbraw/zinc/39/12/48/560391248.db2.gz FCTRKDNXFUKKHZ-UHFFFAOYSA-N 1 0 350.422 2.053 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cnn(CCC)c2C2CC2)CC1 ZINC000453638539 560392540 /nfs/dbraw/zinc/39/25/40/560392540.db2.gz IYGTVOWAZLOGOY-UHFFFAOYSA-N 1 0 373.501 2.266 20 30 FEEDRO N#CCc1ccc(NC(=O)C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)c(Cl)c1 ZINC000453645600 560393086 /nfs/dbraw/zinc/39/30/86/560393086.db2.gz SVXJBWNETZRXCR-HNNXBMFYSA-N 1 0 374.872 2.431 20 30 FEEDRO C[N@H+](CCNC(=O)C(=O)Nc1cccc(CC#N)c1)Cc1ccc(F)cc1 ZINC000453702003 560397982 /nfs/dbraw/zinc/39/79/82/560397982.db2.gz UIFWNLOXDAQEPH-UHFFFAOYSA-N 1 0 368.412 2.078 20 30 FEEDRO Cc1cc(C#N)cc(NC(=O)C(=O)NCc2ccc(CC[NH+](C)C)cc2)c1 ZINC000453748952 560401459 /nfs/dbraw/zinc/40/14/59/560401459.db2.gz YGOQIGXJDDNLRP-UHFFFAOYSA-N 1 0 364.449 2.226 20 30 FEEDRO C[NH+](C)CCc1ccccc1NC(=O)C(=O)NCc1ccc(C#N)c(F)c1 ZINC000454032569 560423517 /nfs/dbraw/zinc/42/35/17/560423517.db2.gz HNPQGHUYMQJEPW-UHFFFAOYSA-N 1 0 368.412 2.056 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1NC(=O)NC[C@H](C(CC)CC)[NH+]1CCOCC1 ZINC000454231574 560435667 /nfs/dbraw/zinc/43/56/67/560435667.db2.gz UHXBWFAXGWFOOE-KURKYZTESA-N 1 0 353.507 2.156 20 30 FEEDRO C=C(C)CCNC(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000455310043 560477467 /nfs/dbraw/zinc/47/74/67/560477467.db2.gz LRBCOQMIZPDFAY-SFHVURJKSA-N 1 0 358.486 2.149 20 30 FEEDRO C=CCC1(CNC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CCCC1 ZINC000455479645 560483898 /nfs/dbraw/zinc/48/38/98/560483898.db2.gz OSDSNJGTCIHQPV-UHFFFAOYSA-N 1 0 362.518 2.073 20 30 FEEDRO C[N@H+](CCCCNC(=O)N1CCN(c2ccc(C#N)cc2F)CC1)C1CC1 ZINC000455622555 560489620 /nfs/dbraw/zinc/48/96/20/560489620.db2.gz UJFBGYMXMVVDHR-UHFFFAOYSA-N 1 0 373.476 2.403 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@@H]1C[C@@H]2CCCCN2C1=O)C(C)C ZINC000455623033 560489666 /nfs/dbraw/zinc/48/96/66/560489666.db2.gz MCLXFXKNERBEIB-RCCFBDPRSA-N 1 0 362.518 2.138 20 30 FEEDRO CC[NH+]1CCN(CC(C)(C)NC(=O)Nc2cnc(C#N)c(Cl)c2)CC1 ZINC000455759643 560494060 /nfs/dbraw/zinc/49/40/60/560494060.db2.gz LMTHXLIXWSTSFR-UHFFFAOYSA-N 1 0 364.881 2.144 20 30 FEEDRO CCN(CC)C(=O)CN1CCCN(C(=O)Nc2cccc(CC#N)c2)CC1 ZINC000455957799 560501966 /nfs/dbraw/zinc/50/19/66/560501966.db2.gz ZREFMWDDYVSKTA-UHFFFAOYSA-N 1 0 371.485 2.161 20 30 FEEDRO C[C@@H](O)C[N@H+](C)C1CCN(C(=O)C(C)(C)Cc2ccc(C#N)cc2)CC1 ZINC000456022986 560504872 /nfs/dbraw/zinc/50/48/72/560504872.db2.gz NWYVNECXHICFJH-MRXNPFEDSA-N 1 0 357.498 2.431 20 30 FEEDRO Cc1ccc(C#N)c(N2CCC[C@H](C(=O)NCC[N@@H+]3CCCC3(C)C)C2)n1 ZINC000457052148 560545845 /nfs/dbraw/zinc/54/58/45/560545845.db2.gz INOJRDSHFIVLSR-SFHVURJKSA-N 1 0 369.513 2.469 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1NC(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000459038709 560663213 /nfs/dbraw/zinc/66/32/13/560663213.db2.gz WKTHGXJDNXGDMP-WTGUMLROSA-N 1 0 355.482 2.493 20 30 FEEDRO CCCN(CCN1CC[NH+](CC)CC1)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459515319 560691199 /nfs/dbraw/zinc/69/11/99/560691199.db2.gz DLJPJMXUVSHAFU-UHFFFAOYSA-N 1 0 359.474 2.316 20 30 FEEDRO CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH2+][C@H](C)CCCc2cccnc2)CC1 ZINC000459645509 560699439 /nfs/dbraw/zinc/69/94/39/560699439.db2.gz ZMEMBBSFOHBXTR-UYAOXDASSA-N 1 0 371.529 2.075 20 30 FEEDRO CCNS(=O)(=O)c1cccc(C[NH2+]Cc2ccc(C#N)c(OC)c2)c1 ZINC000459653280 560700313 /nfs/dbraw/zinc/70/03/13/560700313.db2.gz XUHOBXKFCMEFBH-UHFFFAOYSA-N 1 0 359.451 2.155 20 30 FEEDRO COc1cc(C#N)ccc1OCC[NH2+]C1(C(N)=O)C2CC3CC(C2)CC1C3 ZINC000459795046 560708649 /nfs/dbraw/zinc/70/86/49/560708649.db2.gz XHOLZNVCHXWAJX-UHFFFAOYSA-N 1 0 369.465 2.215 20 30 FEEDRO C=C(C)[C@H]1OCC[C@H]1CNC(=O)N(CCC)CCN1CC[NH+](CC)CC1 ZINC000460754699 560750901 /nfs/dbraw/zinc/75/09/01/560750901.db2.gz CIEXYVCKYLMADK-RBUKOAKNSA-N 1 0 366.550 2.027 20 30 FEEDRO N#CCN1CCC[C@@H](CNC(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)C1 ZINC000461482731 560773728 /nfs/dbraw/zinc/77/37/28/560773728.db2.gz SBFWOPNIZREIHS-OALUTQOASA-N 1 0 372.488 2.389 20 30 FEEDRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)N[C@@H]2CCC[C@@H]2C#N)CC1 ZINC000461962773 560789841 /nfs/dbraw/zinc/78/98/41/560789841.db2.gz GZCVCUOPCKTHSC-YLJYHZDGSA-N 1 0 369.513 2.316 20 30 FEEDRO C[C@H](C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1)c1cccc(C#N)c1 ZINC000462046621 560793977 /nfs/dbraw/zinc/79/39/77/560793977.db2.gz KQBXXKRWSZYDIM-FXAWDEMLSA-N 1 0 354.498 2.290 20 30 FEEDRO COCC[NH+](CCOC)C1CCN(C(=O)[C@H](C)c2cccc(C#N)c2)CC1 ZINC000462465457 560811081 /nfs/dbraw/zinc/81/10/81/560811081.db2.gz NQSOSECTDXSISL-QGZVFWFLSA-N 1 0 373.497 2.248 20 30 FEEDRO COc1cc(C#N)ccc1OCC(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000464333818 560839035 /nfs/dbraw/zinc/83/90/35/560839035.db2.gz KPZLNOFNOXRBQA-QGZVFWFLSA-N 1 0 357.454 2.326 20 30 FEEDRO COC1CC[NH+](C(C)(C)CNC(=O)NCc2cc(C#N)ccc2F)CC1 ZINC000465899418 560875615 /nfs/dbraw/zinc/87/56/15/560875615.db2.gz GEWQBVXUUSGSNJ-UHFFFAOYSA-N 1 0 362.449 2.386 20 30 FEEDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000469328765 560952654 /nfs/dbraw/zinc/95/26/54/560952654.db2.gz PFQUJWKAYGWVSX-MRXNPFEDSA-N 1 0 354.410 2.054 20 30 FEEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cnn(-c2cccnc2)c1 ZINC000469477505 560956071 /nfs/dbraw/zinc/95/60/71/560956071.db2.gz GSSZOYFECXIHTF-UHFFFAOYSA-N 1 0 374.448 2.343 20 30 FEEDRO C=CC[NH+]1CCC(Nc2cc(CN3CCOCC3)ccc2[N+](=O)[O-])CC1 ZINC000472358604 561025042 /nfs/dbraw/zinc/02/50/42/561025042.db2.gz HTLKPUFLMOSVES-UHFFFAOYSA-N 1 0 360.458 2.489 20 30 FEEDRO C[NH+](C)C1(CNC(=O)[C@@H]2CCC(=O)N2Cc2cccc(C#N)c2)CCCC1 ZINC000473397952 561049411 /nfs/dbraw/zinc/04/94/11/561049411.db2.gz GGLHLLOIZQPZSZ-SFHVURJKSA-N 1 0 368.481 2.040 20 30 FEEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)NCCOC(F)(F)F)CC2)cc1 ZINC000473533705 561052088 /nfs/dbraw/zinc/05/20/88/561052088.db2.gz PHGGTFCAGCZVKF-UHFFFAOYSA-N 1 0 370.375 2.312 20 30 FEEDRO C[NH+](C)CCN(Cc1ccco1)S(=O)(=O)CC1(C#N)CCCCC1 ZINC000476428875 561119232 /nfs/dbraw/zinc/11/92/32/561119232.db2.gz KZLVLUNWDOXYQD-UHFFFAOYSA-N 1 0 353.488 2.447 20 30 FEEDRO Cc1ccccc1C[NH+]1CCC(NC(=O)COc2cccnc2C#N)CC1 ZINC000477082273 561136129 /nfs/dbraw/zinc/13/61/29/561136129.db2.gz DGUVOWRPPXSRDS-UHFFFAOYSA-N 1 0 364.449 2.421 20 30 FEEDRO N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000528454154 562330320 /nfs/dbraw/zinc/33/03/20/562330320.db2.gz YCEDCTMVCRDLJK-RXVVDRJESA-N 1 0 350.418 2.429 20 30 FEEDRO Cn1nccc1C1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H](O)COc1ccccc1C#N ZINC000528489152 562331993 /nfs/dbraw/zinc/33/19/93/562331993.db2.gz HJRSBBOMGOAIAB-XVLXNVKGSA-N 1 0 366.465 2.442 20 30 FEEDRO COc1ccc(CN2CC[C@@H]2CNS(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000528504988 562332789 /nfs/dbraw/zinc/33/27/89/562332789.db2.gz WXXGOTAHOJWNJJ-QGZVFWFLSA-N 1 0 371.462 2.120 20 30 FEEDRO C[N@H+](C[C@H](O)COc1ccccc1C#N)C1CCN(CC(F)(F)F)CC1 ZINC000528518006 562333646 /nfs/dbraw/zinc/33/36/46/562333646.db2.gz OYDQPLOKAKPHFL-INIZCTEOSA-N 1 0 371.403 2.256 20 30 FEEDRO C[N@@H+]1CCN(C[C@H](O)COc2ccccc2C#N)[C@@H](Cc2ccccc2)C1 ZINC000528535426 562334893 /nfs/dbraw/zinc/33/48/93/562334893.db2.gz UYIOOQDMRWLBDQ-SFTDATJTSA-N 1 0 365.477 2.157 20 30 FEEDRO N#Cc1ccc(-c2nnc(C[N@H+]3CC4(CCOCC4)CC[C@H]3CO)o2)cc1 ZINC000528639421 562339647 /nfs/dbraw/zinc/33/96/47/562339647.db2.gz KMPHHPQFBHSDAY-KRWDZBQOSA-N 1 0 368.437 2.362 20 30 FEEDRO CC1([NH+]2CCOCC2)CCN(C(=O)Nc2cnc(C#N)c(Cl)c2)CC1 ZINC000529107213 562360701 /nfs/dbraw/zinc/36/07/01/562360701.db2.gz ACOLVUQIXNUKAD-UHFFFAOYSA-N 1 0 363.849 2.325 20 30 FEEDRO CC(C)[C@H]1C[NH2+]CCN1C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000529325807 562369499 /nfs/dbraw/zinc/36/94/99/562369499.db2.gz ZRTISTKZXTUENP-DAWZGUTISA-N 1 0 371.485 2.283 20 30 FEEDRO C=CCN1C(=O)c2ccc(C(=O)NC[C@H]3CC[N@@H+]3C3CCCC3)cc2C1=O ZINC000530026666 562395048 /nfs/dbraw/zinc/39/50/48/562395048.db2.gz NDNXBLDCHISIER-MRXNPFEDSA-N 1 0 367.449 2.215 20 30 FEEDRO N#Cc1ccccc1OC[C@H](O)C[NH2+][C@H]1CCCN(C2CCCCC2)C1=O ZINC000530230610 562403023 /nfs/dbraw/zinc/40/30/23/562403023.db2.gz BIOAEHLPTRUETH-MOPGFXCFSA-N 1 0 371.481 2.211 20 30 FEEDRO C[NH+](C)[C@H](CNS(=O)(=O)c1ccc(C#N)cc1F)C1CCCCC1 ZINC000530438392 562411366 /nfs/dbraw/zinc/41/13/66/562411366.db2.gz GDZCTUNSLFXQFK-MRXNPFEDSA-N 1 0 353.463 2.486 20 30 FEEDRO C[C@@H]1C[N@@H+](CC2CCN(C(=O)Cc3cccc(C#N)c3)CC2)C[C@H](C)O1 ZINC000530676266 562420183 /nfs/dbraw/zinc/42/01/83/562420183.db2.gz ULLZUCNIFYIXFP-CALCHBBNSA-N 1 0 355.482 2.449 20 30 FEEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCC[N@@H+]1CC[C@H](C)C1 ZINC000531044476 562432768 /nfs/dbraw/zinc/43/27/68/562432768.db2.gz NCVGWPGHHKKQLT-LSDHHAIUSA-N 1 0 374.510 2.477 20 30 FEEDRO Cc1cc(NC(=O)CC[NH+]2CCN(c3ccccc3)CC2)n(CCC#N)n1 ZINC000531284858 562440543 /nfs/dbraw/zinc/44/05/43/562440543.db2.gz CHLCFZOEPPSMDC-UHFFFAOYSA-N 1 0 366.469 2.256 20 30 FEEDRO CC1CC(C#N)(C(=O)Nc2cccc(C[NH+]3CCC(C(N)=O)CC3)c2)C1 ZINC000532322353 562473889 /nfs/dbraw/zinc/47/38/89/562473889.db2.gz PLKGTNPOAZXSGG-UHFFFAOYSA-N 1 0 354.454 2.262 20 30 FEEDRO C=C(C)[C@H](CC(=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO)OCC ZINC000534185278 562527000 /nfs/dbraw/zinc/52/70/00/562527000.db2.gz LDUVQCRPYMSITJ-AABGKKOBSA-N 1 0 360.498 2.357 20 30 FEEDRO C=CCc1cc(CNC(=O)NCCNc2cc[nH+]cc2)cc(OC)c1OC ZINC000534524962 562535936 /nfs/dbraw/zinc/53/59/36/562535936.db2.gz WZOOUMCDJCXFEP-UHFFFAOYSA-N 1 0 370.453 2.161 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)CCc2nnc(C3CCCC3)o2)c1C#N ZINC000534796578 562542549 /nfs/dbraw/zinc/54/25/49/562542549.db2.gz UIOMQKAJJQJEBP-UHFFFAOYSA-N 1 0 371.445 2.045 20 30 FEEDRO CCOc1ccc(N(CCC#N)C(=O)C[N@H+](C)C[C@H]2CCC[C@H]2O)cc1 ZINC000535118608 562551475 /nfs/dbraw/zinc/55/14/75/562551475.db2.gz UYPCCNSSXKUPQE-VQIMIIECSA-N 1 0 359.470 2.425 20 30 FEEDRO N#Cc1ccc(OC2CCC(NC(=O)N[C@H]3CC[N@@H+](C4CC4)C3)CC2)nc1 ZINC000536651857 562580436 /nfs/dbraw/zinc/58/04/36/562580436.db2.gz MCIDAYZQJODTEN-PQUAAJSLSA-N 1 0 369.469 2.179 20 30 FEEDRO C=CCOc1ccccc1C[NH2+][C@@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC000540686561 562591244 /nfs/dbraw/zinc/59/12/44/562591244.db2.gz PVYVSXVXMOYYGC-SJLPKXTDSA-N 1 0 351.468 2.077 20 30 FEEDRO C[C@H](C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)[NH+]1CCCCCC1 ZINC000540956590 562598322 /nfs/dbraw/zinc/59/83/22/562598322.db2.gz OIVMHGXPLILFES-APWZRJJASA-N 1 0 368.481 2.434 20 30 FEEDRO COCCOc1ccc(C#N)cc1NC(=O)CCN(C)c1cc[nH+]cc1 ZINC000541524417 562614233 /nfs/dbraw/zinc/61/42/33/562614233.db2.gz VNWLBBIXEHQILK-UHFFFAOYSA-N 1 0 354.410 2.443 20 30 FEEDRO CC(=O)Nc1ccc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)nc1 ZINC000542004765 562625419 /nfs/dbraw/zinc/62/54/19/562625419.db2.gz RCNWDSAFKZMGOG-UHFFFAOYSA-N 1 0 365.437 2.116 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1CCSC[C@H](C)C1)C(C)C ZINC000556206496 674392141 /nfs/dbraw/zinc/39/21/41/674392141.db2.gz LBWBMJUTSGGSOM-IAGOWNOFSA-N 1 0 367.559 2.013 20 30 FEEDRO N#CC1(C[C@@H](O)C[NH2+]C[C@@H](CO)c2ccc(Cl)cc2)CCOCC1 ZINC000601970526 567890504 /nfs/dbraw/zinc/89/05/04/567890504.db2.gz LLGCUWLEEPLUSZ-DOTOQJQBSA-N 1 0 352.862 2.077 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)CC1CCN(CC(F)(F)F)CC1 ZINC000602082648 567920088 /nfs/dbraw/zinc/92/00/88/567920088.db2.gz NGBCNLDGDWTLIK-UHFFFAOYSA-N 1 0 362.440 2.345 20 30 FEEDRO CN(C(=O)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)[C@@H]1CCC[C@H]1C#N ZINC000602062235 567922830 /nfs/dbraw/zinc/92/28/30/567922830.db2.gz JVCKLDXBIORJKR-BMGDILEWSA-N 1 0 354.454 2.325 20 30 FEEDRO C[NH+](C)CCn1c2cc(C(=O)N3CCC(C)(C#N)CC3)ccc2[nH]c1=O ZINC000602141174 567935240 /nfs/dbraw/zinc/93/52/40/567935240.db2.gz INHHRNAZRWRUHR-UHFFFAOYSA-N 1 0 355.442 2.069 20 30 FEEDRO N#CCC1(CNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@@]23CCOC3)CC1 ZINC000602149908 567937389 /nfs/dbraw/zinc/93/73/89/567937389.db2.gz XWFYSQZVIBHKOL-GHTZIAJQSA-N 1 0 353.466 2.335 20 30 FEEDRO CCNC(=O)COc1cccc(C[NH2+][C@@H](C)CC2(C#N)CCOCC2)c1 ZINC000602517610 567986757 /nfs/dbraw/zinc/98/67/57/567986757.db2.gz HQILCTKCGJYILJ-INIZCTEOSA-N 1 0 359.470 2.390 20 30 FEEDRO N#CCCCC[C@H]([NH3+])C(=O)N[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC000602525260 567987728 /nfs/dbraw/zinc/98/77/28/567987728.db2.gz JFTNWDBZTXYXKJ-GZBFAFLISA-N 1 0 355.360 2.448 20 30 FEEDRO N#CCCCC[C@H]([NH3+])C(=O)N[C@@H]1CCN(c2ccc(Cl)cc2F)C1=O ZINC000602543500 567989900 /nfs/dbraw/zinc/98/99/00/567989900.db2.gz BPUDEICYKOPASJ-UONOGXRCSA-N 1 0 366.824 2.112 20 30 FEEDRO C[C@@H]1C[NH+](C[C@H](O)COc2cccc3ccccc32)C[C@@H](C)N1CC#N ZINC000602857352 568002763 /nfs/dbraw/zinc/00/27/63/568002763.db2.gz RASXMRUVFZKMCE-LMMKCTJWSA-N 1 0 353.466 2.498 20 30 FEEDRO N#CC1(C[C@@H](O)C[N@@H+]2CC[C@H](c3ccc4cccnc4n3)C2)CCOCC1 ZINC000602882022 568004613 /nfs/dbraw/zinc/00/46/13/568004613.db2.gz IRNKZSADTPSTSQ-ZWKOTPCHSA-N 1 0 366.465 2.490 20 30 FEEDRO N#CC1(C[C@@H](O)C[N@@H+]2CC[C@@H](c3ccc4cccnc4n3)C2)CCOCC1 ZINC000602882020 568004687 /nfs/dbraw/zinc/00/46/87/568004687.db2.gz IRNKZSADTPSTSQ-QZTJIDSGSA-N 1 0 366.465 2.490 20 30 FEEDRO COc1ccc([C@@H](CNC(=O)CN[C@@H](C)CC#N)[NH+]2CCCCC2)cc1 ZINC000602864626 568008030 /nfs/dbraw/zinc/00/80/30/568008030.db2.gz TVRDVJFVZFNBAR-QFBILLFUSA-N 1 0 358.486 2.230 20 30 FEEDRO COc1ccc(C[C@H](CO)C[NH2+][C@@H](C)CC2(C#N)CCOCC2)cc1O ZINC000602661553 568012450 /nfs/dbraw/zinc/01/24/50/568012450.db2.gz FBPGVTSSDDBNSA-RDJZCZTQSA-N 1 0 362.470 2.240 20 30 FEEDRO C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000568525425 568046960 /nfs/dbraw/zinc/04/69/60/568046960.db2.gz QBGXJOCHQHJJSS-YJLNNSPDSA-N 1 0 357.454 2.070 20 30 FEEDRO N#CC1(Cc2cn(CC(=O)NC3CC[NH+](C4CC4)CC3)nn2)CCCCC1 ZINC000603209858 568076132 /nfs/dbraw/zinc/07/61/32/568076132.db2.gz CAXSAMILMLJFBU-UHFFFAOYSA-N 1 0 370.501 2.038 20 30 FEEDRO N#Cc1cnn2c1NC[C@H](C[NH2+][C@@H](CO)c1c(Cl)cccc1Cl)C2 ZINC000568632233 568101024 /nfs/dbraw/zinc/10/10/24/568101024.db2.gz NAOPLFDELDBUDF-HZMBPMFUSA-N 1 0 366.252 2.426 20 30 FEEDRO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N(C)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000603554262 568116479 /nfs/dbraw/zinc/11/64/79/568116479.db2.gz VURYPQFCVDUMFF-BTYIYWSLSA-N 1 0 370.497 2.454 20 30 FEEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+]Cc2ccccc2-n2cccn2)c1 ZINC000569779709 568423941 /nfs/dbraw/zinc/42/39/41/568423941.db2.gz ZKHAROUKLBKXMM-UHFFFAOYSA-N 1 0 366.446 2.307 20 30 FEEDRO COC(=O)c1cccc(C[NH2+][C@H]2CCCC[C@@H]2N2CCOCC2)c1C#N ZINC000569777931 568423944 /nfs/dbraw/zinc/42/39/44/568423944.db2.gz UTCJXOXTAPSYRG-OALUTQOASA-N 1 0 357.454 2.078 20 30 FEEDRO CN1CC[C@@H]([NH2+]Cc2cnc3c(C#N)cnn3c2)[C@H]1c1ccc(F)c(F)c1 ZINC000569811151 568426688 /nfs/dbraw/zinc/42/66/88/568426688.db2.gz NHQCHIMCTMYYQI-QZTJIDSGSA-N 1 0 368.391 2.414 20 30 FEEDRO COc1cc(-c2nn[nH]n2)ccc1OCC[N@H+](C)Cc1cccc(C#N)c1 ZINC000737033665 598983065 /nfs/dbraw/zinc/98/30/65/598983065.db2.gz WTZKNLHJUIHNRB-UHFFFAOYSA-N 1 0 364.409 2.258 20 30 FEEDRO CC[NH+](CC)CC#C[C@H](C)OC(=O)C=Cc1ccccc1-c1nn[nH]n1 ZINC000821182531 607322626 /nfs/dbraw/zinc/32/26/26/607322626.db2.gz WCOJQSQLVXPAGS-LHNRBYRGSA-N 1 0 353.426 2.157 20 30 FEEDRO CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C1 ZINC000556885852 674426203 /nfs/dbraw/zinc/42/62/03/674426203.db2.gz PSIGZJRGYGZCSE-IEBWSBKVSA-N 1 0 361.511 2.472 20 30 FEEDRO C[C@H]([NH2+][C@H]1CCN(c2ccc(C#N)cc2)C1=O)c1cccc(-c2nn[nH]n2)c1 ZINC000820420658 599388678 /nfs/dbraw/zinc/38/86/78/599388678.db2.gz VDWHZHGALUQFKW-UGSOOPFHSA-N 1 0 373.420 2.194 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H]2Cc3ccc(Cl)cc3C2)nc1 ZINC000808756869 674471090 /nfs/dbraw/zinc/47/10/90/674471090.db2.gz ZABVVHKOJITXML-MRXNPFEDSA-N 1 0 361.854 2.137 20 30 FEEDRO C=CCC[C@H]([NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1ccccc1 ZINC000819734488 607390036 /nfs/dbraw/zinc/39/00/36/607390036.db2.gz PEHTUXSUMQUFMU-PBHICJAKSA-N 1 0 364.457 2.402 20 30 FEEDRO C#CC[C@@]1(C(=O)NCC[N@@H+](C)C(C)C)CCCN1C(=O)OC(C)(C)C ZINC000809647136 674502959 /nfs/dbraw/zinc/50/29/59/674502959.db2.gz KHUJPEYZPORUDS-IBGZPJMESA-N 1 0 351.491 2.236 20 30 FEEDRO CC(C)[NH+]1CCN(C2CC[NH+]([C@H](C(=O)[O-])c3ccc(C#N)cc3)CC2)CC1 ZINC000833499344 604938756 /nfs/dbraw/zinc/93/87/56/604938756.db2.gz NUTFPCBEFBSGAO-FQEVSTJZSA-N 1 0 370.497 2.174 20 30 FEEDRO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCC[C@@H](CNC(=O)C(F)(F)F)C1 ZINC000810070658 674529490 /nfs/dbraw/zinc/52/94/90/674529490.db2.gz RQZJAVLZAGBMFH-KGLIPLIRSA-N 1 0 363.424 2.190 20 30 FEEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]CCNS(=O)(=O)Cc1ccccc1)CC2 ZINC000810211087 674536928 /nfs/dbraw/zinc/53/69/28/674536928.db2.gz MBYIUDUGUJQGJZ-IBGZPJMESA-N 1 0 355.463 2.255 20 30 FEEDRO C[C@H]([NH2+]CC(=O)N(C)C1(C#N)CCCCC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824554062 608463652 /nfs/dbraw/zinc/46/36/52/608463652.db2.gz MFCKDGZRWGIAOU-AWEZNQCLSA-N 1 0 367.457 2.202 20 30 FEEDRO Cc1oc(NC(=O)C[NH2+][C@H](C)c2cccc(-c3nn[nH]n3)c2)c(C#N)c1C ZINC000826341393 608486867 /nfs/dbraw/zinc/48/68/67/608486867.db2.gz GPTPGWPMNMTPOL-LLVKDONJSA-N 1 0 365.397 2.238 20 30 FEEDRO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)OC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000811446039 674604281 /nfs/dbraw/zinc/60/42/81/674604281.db2.gz RXAKWCQYIHJHHO-VHSSKADRSA-N 1 0 355.454 2.185 20 30 FEEDRO C#C[C@H](NC(=O)NCCCC[NH+]1CCN(C)CC1)c1ccc(Cl)cc1 ZINC000811859556 674633964 /nfs/dbraw/zinc/63/39/64/674633964.db2.gz UCZVBKMSYGBVLY-SFHVURJKSA-N 1 0 362.905 2.341 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)COc2ccsc2Cl)c1C#N ZINC000562244168 674733153 /nfs/dbraw/zinc/73/31/53/674733153.db2.gz UNMUDDGYGDETQS-UHFFFAOYSA-N 1 0 353.835 2.166 20 30 FEEDRO N#Cc1ccsc1NC(=O)C(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000815539591 674957827 /nfs/dbraw/zinc/95/78/27/674957827.db2.gz RFEUCXYIYFMABI-UHFFFAOYSA-N 1 0 360.483 2.472 20 30 FEEDRO CC(C)OC(=O)CC[C@@H](C)[NH2+]CCS(=O)(=O)c1cccc(C#N)c1 ZINC000564076861 674970395 /nfs/dbraw/zinc/97/03/95/674970395.db2.gz RWTZYNOZVJLEPA-CQSZACIVSA-N 1 0 352.456 2.042 20 30 FEEDRO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCC[C@H]2C[N@H+](C)C[C@H]21 ZINC000564879854 675071468 /nfs/dbraw/zinc/07/14/68/675071468.db2.gz CNOOYSBKWQGHFB-DVOMOZLQSA-N 1 0 358.511 2.461 20 30 FEEDRO C=CCNC(=S)C(C(=O)c1cc(C)n(C)c1C)[n+]1cccc(CO)c1 ZINC000022687539 670042853 /nfs/dbraw/zinc/04/28/53/670042853.db2.gz ZEIKTSZTAUHFPV-UHFFFAOYSA-O 1 0 358.487 2.136 20 30 FEEDRO C[C@@H]1CCCC[C@@H]1NC(NC[C@@H]1CCS(=O)(=O)C1)=[NH+]C1CCCC1 ZINC000073844840 670509198 /nfs/dbraw/zinc/50/91/98/670509198.db2.gz NQLVUGZVAVGGPT-VYDXJSESSA-N 1 0 355.548 2.478 20 30 FEEDRO CCOc1ccc(OCC)c(NC(=[NH2+])NCCNC(=O)C(C)(C)C)c1 ZINC000104190873 670791194 /nfs/dbraw/zinc/79/11/94/670791194.db2.gz HIYNIOASHJZEMR-UHFFFAOYSA-N 1 0 350.463 2.373 20 30 FEEDRO CC(C)[N@@H+](C)C[C@H](C)NC(=O)C(=O)Nc1ccccc1SCCC#N ZINC000571726301 670917200 /nfs/dbraw/zinc/91/72/00/670917200.db2.gz VEJKJCNIDHJJRI-AWEZNQCLSA-N 1 0 362.499 2.476 20 30 FEEDRO CO[C@@](C)(C[NH2+]CCS(=O)(=O)c1cccc(C#N)c1)c1ccccc1 ZINC000572751688 671040486 /nfs/dbraw/zinc/04/04/86/671040486.db2.gz QLEFNAXGWHIFOQ-IBGZPJMESA-N 1 0 358.463 2.483 20 30 FEEDRO N#Cc1ncccc1S(=O)(=O)N(CC[NH+]1CCCCCC1)C1CCC1 ZINC000573350074 671111832 /nfs/dbraw/zinc/11/18/32/671111832.db2.gz BAXZQNLOEDYUJA-UHFFFAOYSA-N 1 0 362.499 2.372 20 30 FEEDRO N#CCc1ccc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)c(Cl)c1 ZINC000573656856 671148451 /nfs/dbraw/zinc/14/84/51/671148451.db2.gz LCTGJWMYMUCBRG-CQSZACIVSA-N 1 0 360.845 2.041 20 30 FEEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+]CCSCC(F)(F)F)c1 ZINC000573676850 671150272 /nfs/dbraw/zinc/15/02/72/671150272.db2.gz RPYABCGZMWDGTE-UHFFFAOYSA-N 1 0 352.403 2.217 20 30 FEEDRO N#Cc1ccc(Cc2cnc(NC(=O)N3CC[C@@H]4C[NH2+]C[C@@H]43)s2)cc1 ZINC000573783414 671163679 /nfs/dbraw/zinc/16/36/79/671163679.db2.gz JYRNICBKLWRXDP-ZBFHGGJFSA-N 1 0 353.451 2.431 20 30 FEEDRO C[C@H]([NH2+]C[C@H](O)CN(C)CCC#N)c1ccc(Br)cc1F ZINC000574312047 671225257 /nfs/dbraw/zinc/22/52/57/671225257.db2.gz IOFPVICIIVKNFQ-AAEUAGOBSA-N 1 0 358.255 2.445 20 30 FEEDRO C[C@H]([NH2+]C[C@H]1CCCCN1S(=O)(=O)N(C)C)c1ccc(C#N)cc1F ZINC000575020922 671293355 /nfs/dbraw/zinc/29/33/55/671293355.db2.gz IPVHGCKRMWVIFK-DZGCQCFKSA-N 1 0 368.478 2.009 20 30 FEEDRO CCCCCCCC(=O)N1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000818015185 675190939 /nfs/dbraw/zinc/19/09/39/675190939.db2.gz KVJQJXPPGDHGCQ-DLBZAZTESA-N 1 0 350.507 2.094 20 30 FEEDRO C[C@H]1CN(S(=O)(=O)Cc2ccc(CC#N)cc2)CC[N@@H+](C2CCC2)C1 ZINC000577844763 671623931 /nfs/dbraw/zinc/62/39/31/671623931.db2.gz AXTPTMDCKWMOJT-MRXNPFEDSA-N 1 0 361.511 2.389 20 30 FEEDRO C[C@@H]1CN(C(=O)c2ccc(Cl)c(C#N)c2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000579177074 671716964 /nfs/dbraw/zinc/71/69/64/671716964.db2.gz OGXVJWZFCRJJND-KDOFPFPSSA-N 1 0 360.889 2.310 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+]CCCOC2CCCCC2)nc1 ZINC000579642765 671750205 /nfs/dbraw/zinc/75/02/05/671750205.db2.gz WBCKNWFAJPCGIA-UHFFFAOYSA-N 1 0 351.472 2.056 20 30 FEEDRO CCN(CCC#N)C(=O)C[NH2+][C@@](C)(CO)c1cccc(C(F)(F)F)c1 ZINC000609799670 675936735 /nfs/dbraw/zinc/93/67/35/675936735.db2.gz BJYGWEZCMAISES-INIZCTEOSA-N 1 0 357.376 2.265 20 30 FEEDRO C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@H](C)c1cccc(NS(C)(=O)=O)c1 ZINC000119027949 671890799 /nfs/dbraw/zinc/89/07/99/671890799.db2.gz KEJMVWKINAFONQ-CABCVRRESA-N 1 0 365.499 2.298 20 30 FEEDRO C#CCOc1cc(F)ccc1NC(=O)NC[C@@H](CC[NH+](C)C)OCC ZINC000120353392 671923708 /nfs/dbraw/zinc/92/37/08/671923708.db2.gz XBUIIGFQZUSUIH-OAHLLOKOSA-N 1 0 351.422 2.316 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N2CCN(Cc3ccc(CC)s3)CC2)CC1 ZINC000128661515 672051497 /nfs/dbraw/zinc/05/14/97/672051497.db2.gz SNYMOKCZSCDCDH-UHFFFAOYSA-N 1 0 359.539 2.300 20 30 FEEDRO CC(C)(C)OC(=O)N1CCN2C(NC[C@@]3(C)CCCS3)=[NH+]C[C@@H]2C1 ZINC000129053212 672056786 /nfs/dbraw/zinc/05/67/86/672056786.db2.gz LWAWSQIFKREIJO-CXAGYDPISA-N 1 0 354.520 2.153 20 30 FEEDRO CC(C)[N@H+](C)C[C@H](C)NS(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000583592546 672109593 /nfs/dbraw/zinc/10/95/93/672109593.db2.gz MXEIDNVLXHJWJI-NSHDSACASA-N 1 0 374.304 2.328 20 30 FEEDRO Cc1nc(CNC2=[NH+]C[C@H]3CN(C(=O)OC(C)(C)C)CCN23)sc1C ZINC000133986328 672117777 /nfs/dbraw/zinc/11/77/77/672117777.db2.gz IXLXLBZUUKCPGD-ZDUSSCGKSA-N 1 0 365.503 2.140 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)c1C#N ZINC000138496087 672144317 /nfs/dbraw/zinc/14/43/17/672144317.db2.gz QGDROBMNNWTOGX-UHFFFAOYSA-N 1 0 362.777 2.247 20 30 FEEDRO Cc1ccc(S(=O)(=O)NCCNC(=[NH2+])Nc2cc(C)cc(C)c2)s1 ZINC000151423583 672162594 /nfs/dbraw/zinc/16/25/94/672162594.db2.gz RMLBEPAKJYKBFI-UHFFFAOYSA-N 1 0 366.512 2.378 20 30 FEEDRO C[NH+]=C(NCC(=O)N1CCc2ccccc21)N(C)CCc1cccs1 ZINC000153550003 672200521 /nfs/dbraw/zinc/20/05/21/672200521.db2.gz NGNCTGKHGGIYCU-UHFFFAOYSA-N 1 0 356.495 2.387 20 30 FEEDRO C[NH+]=C(NCC(=O)Nc1cccc(F)c1)N(C)Cc1cc(Cl)cn1C ZINC000158794907 672273200 /nfs/dbraw/zinc/27/32/00/672273200.db2.gz SQISPXBMGSSZCC-UHFFFAOYSA-N 1 0 365.840 2.464 20 30 FEEDRO C[NH+]=C(NCc1c(C)noc1C)N[C@H]1CCN(c2ncccc2Cl)C1 ZINC000158954271 672275079 /nfs/dbraw/zinc/27/50/79/672275079.db2.gz YMAUSYUUFLXNKG-ZDUSSCGKSA-N 1 0 362.865 2.284 20 30 FEEDRO C[C@@H]1C[N@@H+](CCC(=O)N(C)CCC#N)C[C@H](C)N1C(=O)OC(C)(C)C ZINC000181569645 672428144 /nfs/dbraw/zinc/42/81/44/672428144.db2.gz HMLALIHZKQILRR-GASCZTMLSA-N 1 0 352.479 2.078 20 30 FEEDRO N#Cc1c(Br)cccc1N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000589569677 672532070 /nfs/dbraw/zinc/53/20/70/672532070.db2.gz NLAXYQOGNWIJAY-HZPDHXFCSA-N 1 0 350.260 2.356 20 30 FEEDRO [NH2+]=C(NCCCCCc1ccc(F)cc1)NCCCN1CCOCC1 ZINC000186881473 672557726 /nfs/dbraw/zinc/55/77/26/672557726.db2.gz GWWPUWODHMNPRR-UHFFFAOYSA-N 1 0 350.482 2.165 20 30 FEEDRO C[NH+]=C(NCCCCCc1ccc(F)cc1)NCCN1CCOCC1 ZINC000186881164 672557789 /nfs/dbraw/zinc/55/77/89/672557789.db2.gz OMQZDQCYCVODCG-UHFFFAOYSA-N 1 0 350.482 2.036 20 30 FEEDRO C[NH+](C)CCn1cc(NC(=O)c2ccc(Br)cc2C#N)cn1 ZINC000590627937 672597492 /nfs/dbraw/zinc/59/74/92/672597492.db2.gz NWHQOKBRVPYJLB-UHFFFAOYSA-N 1 0 362.231 2.331 20 30 FEEDRO CC[N@@H+]1CCN(C(=O)COc2ccc(C#N)c(Br)c2)C[C@@H]1C ZINC000590684803 672601920 /nfs/dbraw/zinc/60/19/20/672601920.db2.gz SLXOKWJANFNHDY-LBPRGKRZSA-N 1 0 366.259 2.252 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000189278299 672612231 /nfs/dbraw/zinc/61/22/31/672612231.db2.gz ODMLEGARLSBYCY-HNNXBMFYSA-N 1 0 351.491 2.400 20 30 FEEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000591292529 672666792 /nfs/dbraw/zinc/66/67/92/672666792.db2.gz YRVSSTHRTKDAJM-ZIAGYGMSSA-N 1 0 360.483 2.278 20 30 FEEDRO C[C@@H]([NH2+]C1CCN(S(=O)(=O)C2CC2)CC1)c1ccc(C#N)cc1F ZINC000611589230 676046826 /nfs/dbraw/zinc/04/68/26/676046826.db2.gz UVNOPPGCFWTKRI-GFCCVEGCSA-N 1 0 351.447 2.305 20 30 FEEDRO CC[C@]1([NH2+]CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CCOC1 ZINC000683045622 672809477 /nfs/dbraw/zinc/80/94/77/672809477.db2.gz ZNZRDLXKOJMKMM-KRWDZBQOSA-N 1 0 354.372 2.332 20 30 FEEDRO CC[C@@H]1C[N@H+](C)CCN1C(=O)Cc1ccc(Br)cc1C#N ZINC000593165341 672885721 /nfs/dbraw/zinc/88/57/21/672885721.db2.gz DNSCLELLCPAGIX-OAHLLOKOSA-N 1 0 350.260 2.416 20 30 FEEDRO C[NH+]=C(NCc1cnc(C)s1)N[C@H]1CCN(c2ncccc2Cl)C1 ZINC000261651819 672901017 /nfs/dbraw/zinc/90/10/17/672901017.db2.gz ABZGCYCKIHFFPK-LBPRGKRZSA-N 1 0 364.906 2.444 20 30 FEEDRO C[NH+]=C(NC[C@]1(C)CCCC[C@@H]1O)N1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000261723981 672902065 /nfs/dbraw/zinc/90/20/65/672902065.db2.gz LABSKJIWXBCNDF-VCBZYWHSSA-N 1 0 353.507 2.167 20 30 FEEDRO C[NH+]=C(NCC1(C(=O)N(C)C)CCCC1)N1CCS[C@H](C(C)C)C1 ZINC000261726391 672902219 /nfs/dbraw/zinc/90/22/19/672902219.db2.gz IXFQXPDTYWSHHJ-HNNXBMFYSA-N 1 0 354.564 2.284 20 30 FEEDRO C[NH+]=C(NCc1cnc(N(C)C)n1C)N1CCSC2(CCCCC2)C1 ZINC000261722754 672902313 /nfs/dbraw/zinc/90/23/13/672902313.db2.gz IORRJRRIDBPARG-UHFFFAOYSA-N 1 0 364.563 2.313 20 30 FEEDRO CC[S@](=O)[C@@H]1CCC[C@H](NC(N[C@@H]2C[C@](C)(OC)C2(C)C)=[NH+]C)C1 ZINC000261846133 672903952 /nfs/dbraw/zinc/90/39/52/672903952.db2.gz WUROGHGYQIFUQG-RCOCEYTJSA-N 1 0 357.564 2.435 20 30 FEEDRO CCC[C@]1(C)CCCN(C(NC[C@H]2CCN(S(C)(=O)=O)C2)=[NH+]CC)C1 ZINC000261835896 672904034 /nfs/dbraw/zinc/90/40/34/672904034.db2.gz JLFYGEYCYYGQNP-SJLPKXTDSA-N 1 0 372.579 2.136 20 30 FEEDRO C[C@@H]1C[NH+]=C(NCCSCCOc2cccc(Br)c2)N1 ZINC000261858186 672904480 /nfs/dbraw/zinc/90/44/80/672904480.db2.gz ACKUCZGHMAVCPS-LLVKDONJSA-N 1 0 358.305 2.498 20 30 FEEDRO C[NH+]=C(NCCNC(=O)C(C)(C)C)N1CCSC2(CCCCC2)C1 ZINC000261947640 672906189 /nfs/dbraw/zinc/90/61/89/672906189.db2.gz NLAHENINGSYIGT-UHFFFAOYSA-N 1 0 354.564 2.476 20 30 FEEDRO CC[NH+]=C(NCc1nccn1CC(F)(F)F)N1CC[C@@]2(CCOC2)C1 ZINC000261992871 672906736 /nfs/dbraw/zinc/90/67/36/672906736.db2.gz RTPARYUNCOSKNH-OAHLLOKOSA-N 1 0 359.396 2.023 20 30 FEEDRO C[NH+]=C(NCc1csc([C@H](C)OC)n1)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000262005221 672907245 /nfs/dbraw/zinc/90/72/45/672907245.db2.gz UNRACHPIEAMRTC-DEQVHRJGSA-N 1 0 352.504 2.329 20 30 FEEDRO Cc1ccc(S(=O)(=O)NCCNC(=[NH2+])Nc2ccc(C)c(C)c2)cc1 ZINC000262005336 672907484 /nfs/dbraw/zinc/90/74/84/672907484.db2.gz RDASUEMZOIRIDA-UHFFFAOYSA-N 1 0 360.483 2.317 20 30 FEEDRO C=C(C)CNC(=[NH+]C[C@@H]1CCS(=O)(=O)C1)N1CCC[C@H](C(C)C)C1 ZINC000262363193 672914327 /nfs/dbraw/zinc/91/43/27/672914327.db2.gz HFQJCQCBMJUNKY-IRXDYDNUSA-N 1 0 355.548 2.311 20 30 FEEDRO C[C@@H](CNC(=[NH2+])N1CCO[C@@H](C)C1)Oc1cccc(Br)c1 ZINC000262501475 672917128 /nfs/dbraw/zinc/91/71/28/672917128.db2.gz YNDUFHNHOUATRZ-RYUDHWBXSA-N 1 0 356.264 2.252 20 30 FEEDRO CC[NH+]1CCC(NC(=O)Cc2ccc(Br)cc2C#N)CC1 ZINC000593391918 672917369 /nfs/dbraw/zinc/91/73/69/672917369.db2.gz OOUXTXFLKJOGLA-UHFFFAOYSA-N 1 0 350.260 2.464 20 30 FEEDRO Cc1cc(C)cc(NC(=[NH2+])NC[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)c1 ZINC000262661851 672918627 /nfs/dbraw/zinc/91/86/27/672918627.db2.gz NDICRPOKUBQLTP-HOCLYGCPSA-N 1 0 352.504 2.138 20 30 FEEDRO CC[NH+]=C(NCC1CCSCC1)N[C@@H]1CCC[C@@H](C(=O)N(C)C)C1 ZINC000262823747 672921960 /nfs/dbraw/zinc/92/19/60/672921960.db2.gz XTASOZYJWVSMNC-HZPDHXFCSA-N 1 0 354.564 2.332 20 30 FEEDRO N#Cc1sccc1S(=O)(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000593588852 672951906 /nfs/dbraw/zinc/95/19/06/672951906.db2.gz NSWUWMHTXLVNBX-HNNXBMFYSA-N 1 0 361.492 2.420 20 30 FEEDRO CCN(CC)[C@@H](CNC(=[NH2+])N1CCSCC1)c1cccc(OC)c1 ZINC000303783597 673017731 /nfs/dbraw/zinc/01/77/31/673017731.db2.gz OKAUVDZMWSHLAJ-KRWDZBQOSA-N 1 0 350.532 2.442 20 30 FEEDRO CC(C)(C)OC(=O)N1CCN(C(=[NH2+])NCCc2ccccc2F)CC1 ZINC000303793110 673017969 /nfs/dbraw/zinc/01/79/69/673017969.db2.gz ZBIYBLNXUZUZQO-UHFFFAOYSA-N 1 0 350.438 2.236 20 30 FEEDRO C[C@@H]1CN(c2ccc(CNC(=[NH2+])NCCc3cccs3)cn2)CCO1 ZINC000303881699 673018502 /nfs/dbraw/zinc/01/85/02/673018502.db2.gz HUBVRYYPUOWLOM-CQSZACIVSA-N 1 0 359.499 2.015 20 30 FEEDRO [NH2+]=C(NC[C@@H](c1ccc(Cl)cc1)N1CCOCC1)NCC1CCC1 ZINC000303975266 673018878 /nfs/dbraw/zinc/01/88/78/673018878.db2.gz IZRZPKXDWPZGRI-KRWDZBQOSA-N 1 0 350.894 2.418 20 30 FEEDRO CC(C)CCNC(=[NH2+])NCc1ccc(S(=O)(=O)NCC(C)C)cc1 ZINC000305658382 673021651 /nfs/dbraw/zinc/02/16/51/673021651.db2.gz FTCXAWBTLDRUHU-UHFFFAOYSA-N 1 0 354.520 2.071 20 30 FEEDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)N1CCCN(Cc2cscn2)CC1 ZINC000328898140 673069212 /nfs/dbraw/zinc/06/92/12/673069212.db2.gz XWLHDHBKIRKXDI-IAGOWNOFSA-N 1 0 363.531 2.192 20 30 FEEDRO CN1CC[C@H](NC(=O)[C@H]([NH3+])CCCCC#N)[C@H]1c1ccc(F)c(F)c1 ZINC000594445835 673072700 /nfs/dbraw/zinc/07/27/00/673072700.db2.gz KYFZGEBVBMWIPH-IXDOHACOSA-N 1 0 350.413 2.237 20 30 FEEDRO CC[C@@H]1CN(C(=O)NC[C@@H]2CCC[N@H+](CC(C)C)C2)C[C@@H](C)S1(=O)=O ZINC000329804624 673083639 /nfs/dbraw/zinc/08/36/39/673083639.db2.gz KGFVYFCITYSLMA-IXDOHACOSA-N 1 0 373.563 2.166 20 30 FEEDRO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc(C#N)cc2Cl)C1 ZINC000595074692 673190812 /nfs/dbraw/zinc/19/08/12/673190812.db2.gz UBWHZRXGEMAYPN-ZDUSSCGKSA-N 1 0 362.861 2.387 20 30 FEEDRO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000595112602 673195245 /nfs/dbraw/zinc/19/52/45/673195245.db2.gz VQTKJWCTUDUHTC-ZFWWWQNUSA-N 1 0 361.492 2.454 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N[C@H]2C[NH2+]CC[C@H]2c2cccc(F)c2)s1 ZINC000595119875 673197168 /nfs/dbraw/zinc/19/71/68/673197168.db2.gz KYJMRAZXQLDDSD-GJZGRUSLSA-N 1 0 365.455 2.183 20 30 FEEDRO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000595241609 673212726 /nfs/dbraw/zinc/21/27/26/673212726.db2.gz DFELZIPCJHRICG-CYBMUJFWSA-N 1 0 356.348 2.005 20 30 FEEDRO CCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)C1 ZINC000595357483 673231983 /nfs/dbraw/zinc/23/19/83/673231983.db2.gz ZVAFITXHAAEPBE-GFCCVEGCSA-N 1 0 361.389 2.340 20 30 FEEDRO COC(=O)c1coc(C(=O)C(C(=S)NC2CC2)[n+]2cccc(C)c2)c1 ZINC000729667281 673243486 /nfs/dbraw/zinc/24/34/86/673243486.db2.gz ABJSZYIPHAFZGF-UHFFFAOYSA-O 1 0 359.427 2.353 20 30 FEEDRO CC(C)[C@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)CC[NH2+]1 ZINC000595411901 673246029 /nfs/dbraw/zinc/24/60/29/673246029.db2.gz IZPIZDPBEVXBEI-CYBMUJFWSA-N 1 0 361.389 2.196 20 30 FEEDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCN(c2ccsc2C#N)CC1 ZINC000595498114 673258394 /nfs/dbraw/zinc/25/83/94/673258394.db2.gz BMNGHZRYTBKLEU-OAHLLOKOSA-N 1 0 361.515 2.326 20 30 FEEDRO C=CCCSCCNC(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000595579933 673269244 /nfs/dbraw/zinc/26/92/44/673269244.db2.gz DIYDMAKEIOQGLI-GOSISDBHSA-N 1 0 363.527 2.362 20 30 FEEDRO Cc1sc(NC(=O)CN2CCO[C@H](CCC[NH+](C)C)C2)c(C#N)c1C ZINC000595907408 673337082 /nfs/dbraw/zinc/33/70/82/673337082.db2.gz UFEDQPHNQPVNNM-OAHLLOKOSA-N 1 0 364.515 2.218 20 30 FEEDRO C[NH+](C)CCC[C@H]1CN(CC(=O)Nc2cc(Cl)ccc2C#N)CCO1 ZINC000595905673 673337255 /nfs/dbraw/zinc/33/72/55/673337255.db2.gz FPZAMVZRYLWWCA-INIZCTEOSA-N 1 0 364.877 2.193 20 30 FEEDRO C[C@H]1CCCC[C@@]1(CNC(=O)OC(C)(C)C)[NH2+]CC(=O)NCCC#N ZINC000731847914 673344717 /nfs/dbraw/zinc/34/47/17/673344717.db2.gz ZXBJKBLKXCBFHO-KSSFIOAISA-N 1 0 352.479 2.079 20 30 FEEDRO C[NH+](C)CCCOc1cnccc1CNc1nc(C#N)c(Cl)s1 ZINC000596234515 673370717 /nfs/dbraw/zinc/37/07/17/673370717.db2.gz LPWDZWARQNZWIB-UHFFFAOYSA-N 1 0 351.863 3.006 20 30 FEEDRO C=CC[N@@H+](CC(=O)N1CCN(C(=O)OCC)CC1)CC1CCCCC1 ZINC000732667599 673377288 /nfs/dbraw/zinc/37/72/88/673377288.db2.gz SZQKVPPHJNCDBO-UHFFFAOYSA-N 1 0 351.491 2.355 20 30 FEEDRO C[C@@H]1CN(CCOC2CC[NH+](CCCSCC#N)CC2)C[C@@H](C)O1 ZINC000536932956 673382037 /nfs/dbraw/zinc/38/20/37/673382037.db2.gz DETJYJBUKFMHOO-IAGOWNOFSA-N 1 0 355.548 2.223 20 30 FEEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@H](C)C(=O)Nc1cccc(S(=O)(=O)NC)c1 ZINC000537968134 673415374 /nfs/dbraw/zinc/41/53/74/673415374.db2.gz RRYACXKHDPFWIS-MELADBBJSA-N 1 0 353.488 2.112 20 30 FEEDRO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(N=Nc2ccc(S(N)(=O)=O)cn2)CC1 ZINC000733901835 673443321 /nfs/dbraw/zinc/44/33/21/673443321.db2.gz VQRDSYJWDSYGMM-CJNGLKHVSA-N 1 0 365.503 2.171 20 30 FEEDRO C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CCC[C@@H]1CSC ZINC000597283835 673463381 /nfs/dbraw/zinc/46/33/81/673463381.db2.gz HXBVQWVTXUSBHL-OAGGEKHMSA-N 1 0 363.531 2.332 20 30 FEEDRO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)COc1ccc(C#N)c(Br)c1 ZINC000597701895 673500782 /nfs/dbraw/zinc/50/07/82/673500782.db2.gz WVXUIQKIODHMGB-NHYWBVRUSA-N 1 0 366.259 2.251 20 30 FEEDRO CC(C)(C#N)C[C@@H](O)C[NH+]1CCN([C@H](CO)c2ccc(Cl)cc2)CC1 ZINC000598592806 673587171 /nfs/dbraw/zinc/58/71/71/673587171.db2.gz NHOIWDILLGWUCD-QZTJIDSGSA-N 1 0 365.905 2.292 20 30 FEEDRO Cc1ccc([C@H]([NH2+]C[C@@H](O)CC(C)(C)C#N)[C@@H](C)S(C)(=O)=O)cc1 ZINC000598611342 673590156 /nfs/dbraw/zinc/59/01/56/673590156.db2.gz MRFLQGZAGPBHTC-HYVNUMGLSA-N 1 0 352.500 2.360 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2c(F)ccc(F)c2Cl)c1C#N ZINC000598653541 673594269 /nfs/dbraw/zinc/59/42/69/673594269.db2.gz XPUXSSVEZPQBLS-UHFFFAOYSA-N 1 0 353.760 2.617 20 30 FEEDRO CC(C)(C#N)C[C@H](O)C[NH2+]CCNC(=O)c1cccc(Br)c1 ZINC000598720702 673603060 /nfs/dbraw/zinc/60/30/60/673603060.db2.gz PSAXKRLCJJWZDB-AWEZNQCLSA-N 1 0 368.275 2.069 20 30 FEEDRO C[C@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599308841 673656676 /nfs/dbraw/zinc/65/66/76/673656676.db2.gz YBLWIZNHNUVWND-VFHHBZAHSA-N 1 0 364.511 2.488 20 30 FEEDRO N#Cc1ccc(CNC(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1F ZINC000599919499 673727910 /nfs/dbraw/zinc/72/79/10/673727910.db2.gz HMWAYPQFNYEQHQ-QWHCGFSZSA-N 1 0 358.339 2.366 20 30 FEEDRO Cc1cc(F)cc(C#N)c1S(=O)(=O)N(CC[NH+](C)C)Cc1ccco1 ZINC000601370408 673849823 /nfs/dbraw/zinc/84/98/23/673849823.db2.gz YVNQXQSGEJJEQF-UHFFFAOYSA-N 1 0 365.430 2.351 20 30 FEEDRO N#Cc1cccc(C[NH2+]C[C@@H](O)COc2ccccc2Br)n1 ZINC000602570688 673908039 /nfs/dbraw/zinc/90/80/39/673908039.db2.gz HOTJCCUVKWDMRX-CQSZACIVSA-N 1 0 362.227 2.245 20 30 FEEDRO N#Cc1ccc(-c2nnc(CN3C[C@@H](CO)[C@H](C(F)(F)F)C3)o2)cc1 ZINC000602987636 673914763 /nfs/dbraw/zinc/91/47/63/673914763.db2.gz MSYJJLZWIAWWIA-QWHCGFSZSA-N 1 0 352.316 2.211 20 30 FEEDRO N#Cc1ccc(Cn2cc(CSCC[NH3+])nn2)c(Br)c1 ZINC000603243838 673919680 /nfs/dbraw/zinc/91/96/80/673919680.db2.gz PNVDEOYXVZWNGV-UHFFFAOYSA-N 1 0 352.261 2.152 20 30 FEEDRO C[NH+](C)[C@H](CNc1ccc(C#N)cc1CS(N)(=O)=O)C1CCCCC1 ZINC000603274039 673920561 /nfs/dbraw/zinc/92/05/61/673920561.db2.gz HNNSNQXBUKIIDG-GOSISDBHSA-N 1 0 364.515 2.269 20 30 FEEDRO CC[C@@H]1CCCC[N@@H+]1CCNc1ccc(C#N)cc1CS(N)(=O)=O ZINC000603290543 673922824 /nfs/dbraw/zinc/92/28/24/673922824.db2.gz CCEPKOVNKGZTBZ-MRXNPFEDSA-N 1 0 350.488 2.023 20 30 FEEDRO C[C@H]1CC[N@H+](CCNS(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)C1 ZINC000548766596 673993657 /nfs/dbraw/zinc/99/36/57/673993657.db2.gz LRCMRURECQHNDE-NSHDSACASA-N 1 0 361.389 2.197 20 30 FEEDRO C#CC[N@@H+](C)CCCNC(=O)c1cn(C)nc1-c1ccc(Cl)s1 ZINC000818588900 675226094 /nfs/dbraw/zinc/22/60/94/675226094.db2.gz JFZFWKARGUUVRH-UHFFFAOYSA-N 1 0 350.875 2.487 20 30 FEEDRO C#CC[N@@H+](C)CCCNC(=O)[C@H]1CCN(C(=O)OC(C)(C)C)[C@H]1CC ZINC000818602916 675227734 /nfs/dbraw/zinc/22/77/34/675227734.db2.gz JMSRAYYDAVVHBZ-HOTGVXAUSA-N 1 0 351.491 2.093 20 30 FEEDRO N#Cc1ccc(NCC[NH2+]C[C@H](O)c2cccc(Br)c2)nc1 ZINC000818952099 675245643 /nfs/dbraw/zinc/24/56/43/675245643.db2.gz DLEBXZCGBWJGGJ-HNNXBMFYSA-N 1 0 361.243 2.451 20 30 FEEDRO N#Cc1ccc([C@@H](O)C[NH2+]C2CCN(C(=O)CC(F)(F)F)CC2)cc1 ZINC000819005097 675251976 /nfs/dbraw/zinc/25/19/76/675251976.db2.gz JOCRZNIHTTUTBF-HNNXBMFYSA-N 1 0 355.360 2.125 20 30 FEEDRO C[NH+](C)[C@H]1CCCN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)C1 ZINC000819225539 675271715 /nfs/dbraw/zinc/27/17/15/675271715.db2.gz DCDSJKHZBIQPIW-LSDHHAIUSA-N 1 0 352.479 2.126 20 30 FEEDRO N#Cc1ccc(C[NH2+]C[C@H](O)COc2cccc(Br)c2)nc1 ZINC000819311300 675280189 /nfs/dbraw/zinc/28/01/89/675280189.db2.gz BYADNADJDBCSLS-HNNXBMFYSA-N 1 0 362.227 2.245 20 30 FEEDRO C#CCN(C)CCC[NH2+]CCC(=O)Nc1ccc(Br)cc1 ZINC000819334387 675282464 /nfs/dbraw/zinc/28/24/64/675282464.db2.gz IAOUIKJFCIATQS-UHFFFAOYSA-N 1 0 352.276 2.322 20 30 FEEDRO Cc1cccc(O[C@@H](C)C[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)c1 ZINC000567494303 675297594 /nfs/dbraw/zinc/29/75/94/675297594.db2.gz YJGRIZKPOQAYJK-HNNXBMFYSA-N 1 0 359.451 2.093 20 30 FEEDRO CC1(C)Oc2ccsc2[C@H](NCC(=O)Nc2sccc2C#N)[C@H]1O ZINC000821311875 675425899 /nfs/dbraw/zinc/42/58/99/675425899.db2.gz OWFFLSJXSMJMON-GXTWGEPZSA-N 1 0 363.464 2.483 20 30 FEEDRO CCCCCCC[C@]1(C)NC(=O)N(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1=O ZINC000823677132 675566829 /nfs/dbraw/zinc/56/68/29/675566829.db2.gz QCKGFOBOENXVMU-LBTNJELSSA-N 1 0 352.479 2.029 20 30 FEEDRO COc1ccc(C[NH2+]Cc2cccc(S(=O)(=O)N(C)C)c2)cc1C#N ZINC000824738624 675619515 /nfs/dbraw/zinc/61/95/15/675619515.db2.gz OXBMJZCYIVITLA-UHFFFAOYSA-N 1 0 359.451 2.107 20 30 FEEDRO C=CCN1C(=S)N=NC1c1sc(NC(=O)[C@H]2[NH2+]CC2(C)C)nc1C ZINC000826530642 675690327 /nfs/dbraw/zinc/69/03/27/675690327.db2.gz HPAIPFIOAMZYPB-SNVBAGLBSA-N 1 0 364.500 2.121 20 30 FEEDRO COCC[N@H+]1[C@H](C)CN(c2ncc(Br)cc2C#N)C[C@@H]1C ZINC000826632418 675696609 /nfs/dbraw/zinc/69/66/09/675696609.db2.gz GMBVEKHEGFACOD-TXEJJXNPSA-N 1 0 353.264 2.261 20 30 FEEDRO N#Cc1ccc(SCC(=O)N2CCC[C@H]([NH+]3CCOCC3)CC2)cc1 ZINC000619871374 676398062 /nfs/dbraw/zinc/39/80/62/676398062.db2.gz FHATZKJKJOXZQN-KRWDZBQOSA-N 1 0 359.495 2.364 20 30 FEEDRO C=CCCOCC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000677290196 679674356 /nfs/dbraw/zinc/67/43/56/679674356.db2.gz IKAZLAGQQFEBBV-OALUTQOASA-N 1 0 351.535 2.375 20 30 FEEDRO C=CCC1([NH2+]CC(=O)Nc2cc(S(N)(=O)=O)ccc2C)CCCCC1 ZINC000625935249 676679011 /nfs/dbraw/zinc/67/90/11/676679011.db2.gz SFTOENPOKZDYHB-UHFFFAOYSA-N 1 0 365.499 2.450 20 30 FEEDRO C=CCOc1c(Cl)cc(CN2CC[NH+](C[C@@H](C)O)CC2)cc1OC ZINC000628162837 676792979 /nfs/dbraw/zinc/79/29/79/676792979.db2.gz GJRMGSDCNRPZFO-CQSZACIVSA-N 1 0 354.878 2.412 20 30 FEEDRO C=CCCCCCN(C)C(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629796931 676868875 /nfs/dbraw/zinc/86/88/75/676868875.db2.gz LTLRHGDBWPJHMQ-UONOGXRCSA-N 1 0 363.424 2.177 20 30 FEEDRO C=CCNC(=O)CNC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000637476156 677129247 /nfs/dbraw/zinc/12/92/47/677129247.db2.gz YHCPESMAVPXNOU-AWEZNQCLSA-N 1 0 373.284 2.198 20 30 FEEDRO CC[N@@H+]1CCC[C@@H]1CNC(=S)N1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000761187924 680714205 /nfs/dbraw/zinc/71/42/05/680714205.db2.gz OULSBOUVWAOBDI-MSOLQXFVSA-N 1 0 358.511 2.290 20 30 FEEDRO C=CCc1cc(C[NH2+]CCC2(CS(C)(=O)=O)CC2)cc(OC)c1O ZINC000657547412 678010354 /nfs/dbraw/zinc/01/03/54/678010354.db2.gz HLBLUBFDJSWHLI-UHFFFAOYSA-N 1 0 353.484 2.434 20 30 FEEDRO C#CCOc1ccc(Br)cc1C[NH2+]C[C@@H]1CCCNC1=O ZINC000839197001 680744057 /nfs/dbraw/zinc/74/40/57/680744057.db2.gz ZCGQENAFMPQMLG-LBPRGKRZSA-N 1 0 351.244 2.077 20 30 FEEDRO COc1ccc(CNC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)cc1C#N ZINC000839709803 680773507 /nfs/dbraw/zinc/77/35/07/680773507.db2.gz OLPMQXOSLXQFPA-QGZVFWFLSA-N 1 0 359.495 2.401 20 30 FEEDRO N#Cc1ccc([C@@H](O)C[NH2+]C[C@@H](c2cccs2)N2CCOCC2)cc1 ZINC000763227200 680776664 /nfs/dbraw/zinc/77/66/64/680776664.db2.gz XDECVUAXMZSVAK-ROUUACIJSA-N 1 0 357.479 2.316 20 30 FEEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)N(CC(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000661118414 678437133 /nfs/dbraw/zinc/43/71/33/678437133.db2.gz DQZDLYCRJXDXIF-SQNIBIBYSA-N 1 0 370.559 2.383 20 30 FEEDRO C=CC[C@]1(C(=O)NCc2cc(Cl)ccc2N2CCOCC2)CCC[NH2+]1 ZINC000662796125 678661743 /nfs/dbraw/zinc/66/17/43/678661743.db2.gz INZNIYYGVWOBOO-LJQANCHMSA-N 1 0 363.889 2.491 20 30 FEEDRO CN([C@H](C[NH3+])C(F)(F)F)S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000663310375 678721844 /nfs/dbraw/zinc/72/18/44/678721844.db2.gz GHABVSDOPTZXEK-SECBINFHSA-N 1 0 368.274 2.355 20 30 FEEDRO C[C@H]1CN(Cn2nc(CC#N)n(C)c2=S)CC[N@@H+]1Cc1ccccc1 ZINC000840178974 680804888 /nfs/dbraw/zinc/80/48/88/680804888.db2.gz PMHCMMQCBKSWNG-HNNXBMFYSA-N 1 0 356.499 2.181 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@@H](C[C@H]2COCCO2)C(F)(F)F)CC1 ZINC000668370090 679170108 /nfs/dbraw/zinc/17/01/08/679170108.db2.gz MXKXDSMOSRSLPQ-LSDHHAIUSA-N 1 0 364.408 2.127 20 30 FEEDRO C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N(C)Cc1nccs1 ZINC000669034622 679216197 /nfs/dbraw/zinc/21/61/97/679216197.db2.gz TXKDCYATIZEFPZ-KGLIPLIRSA-N 1 0 360.487 2.093 20 30 FEEDRO C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H](c1cccc(C#N)c1)C(F)(F)F ZINC000831105345 679924364 /nfs/dbraw/zinc/92/43/64/679924364.db2.gz DPIZATRCZMEJLG-DOMZBBRYSA-N 1 0 355.360 2.246 20 30 FEEDRO C=C(Cl)C(C)(C)C(=O)N1CC[C@@H]2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC000974587167 679960698 /nfs/dbraw/zinc/96/06/98/679960698.db2.gz XTBHHZPWLRKGKO-BZUAXINKSA-N 1 0 367.921 2.166 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCCN(CCn2cc(Cl)cn2)C1 ZINC001008848174 679968842 /nfs/dbraw/zinc/96/88/42/679968842.db2.gz XCLWEAIMMUWFEN-IKGGRYGDSA-N 1 0 366.893 2.098 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)c2cnn(-c3ccc(Cl)cc3)n2)CC1 ZINC000751992118 680216586 /nfs/dbraw/zinc/21/65/86/680216586.db2.gz HVTJQZCSSLXQNW-UHFFFAOYSA-N 1 0 357.845 2.138 20 30 FEEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)CCCCc1ccc(Br)cc1 ZINC000834490175 680234254 /nfs/dbraw/zinc/23/42/54/680234254.db2.gz SGNRPTYHHMDRJY-HIFRSBDPSA-N 1 0 350.260 2.390 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCc2ccc(F)c(F)c2)C1 ZINC001022736804 680234298 /nfs/dbraw/zinc/23/42/98/680234298.db2.gz CVUFEOUSVOWNQF-FSZRXZPDSA-N 1 0 350.409 2.335 20 30 FEEDRO CC(C)Oc1cc(Br)ccc1C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000834493334 680234616 /nfs/dbraw/zinc/23/46/16/680234616.db2.gz CYHVDCMVTKIZDF-ZWNOBZJWSA-N 1 0 352.232 2.078 20 30 FEEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)C1(Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000834499835 680235805 /nfs/dbraw/zinc/23/58/05/680235805.db2.gz NHOYIXGGVLMFGS-OCCSQVGLSA-N 1 0 353.344 2.136 20 30 FEEDRO CC(C)c1c(C(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)cnn1-c1ccc(Cl)cc1 ZINC000834517391 680237119 /nfs/dbraw/zinc/23/71/19/680237119.db2.gz UXBXNOYMXSYBEQ-MLGOLLRUSA-N 1 0 357.845 2.490 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC2CC(OCC)C2)C1 ZINC001022834071 680241136 /nfs/dbraw/zinc/24/11/36/680241136.db2.gz ANQBGPBFTYMUTM-MXLMJNFFSA-N 1 0 350.503 2.410 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[N@H+](C[C@H]2CC(C)(C)CO2)CC1 ZINC000982179563 680272949 /nfs/dbraw/zinc/27/29/49/680272949.db2.gz WVYAEZLNWMMVDA-SQNIBIBYSA-N 1 0 350.503 2.317 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]Cc2snnc2C)C1 ZINC001023991184 680276487 /nfs/dbraw/zinc/27/64/87/680276487.db2.gz QDEFXBVHCSZMTJ-OAGGEKHMSA-N 1 0 364.515 2.156 20 30 FEEDRO C=C(Cl)C(C)(C)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[N@H+]1C)C2 ZINC000995920824 680312189 /nfs/dbraw/zinc/31/21/89/680312189.db2.gz WZWKNCFYKGVIEC-CBBWQLFWSA-N 1 0 353.894 2.107 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCCC[C@H]1C[NH2+]Cc1cnns1 ZINC001025109020 680313791 /nfs/dbraw/zinc/31/37/91/680313791.db2.gz JAQDDEKVDOTVFN-XIRDDKMYSA-N 1 0 364.515 2.380 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]C[C@H]2CC(C)(C)CO2)C1 ZINC000983698761 680322099 /nfs/dbraw/zinc/32/20/99/680322099.db2.gz QHEGUEAJEZZLQA-ZKXLYKBJSA-N 1 0 350.503 2.267 20 30 FEEDRO C[C@@H]1CC(N=Nc2ncnc3c2c(Br)nn3C)C[N@@H+]1C1CC1 ZINC000753959186 680326980 /nfs/dbraw/zinc/32/69/80/680326980.db2.gz FLPGFPKWEACOIP-MRVPVSSYSA-N 1 0 364.251 2.150 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]([NH2+]CC(=C)Br)C(C)(C)C1 ZINC000996331422 680328788 /nfs/dbraw/zinc/32/87/88/680328788.db2.gz RAWRECJDEYWTDG-HZSPNIEDSA-N 1 0 357.292 2.313 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1CCC([NH2+]Cc2nncs2)CC1 ZINC001026574411 680347457 /nfs/dbraw/zinc/34/74/57/680347457.db2.gz UHLNLSOQBGDESP-NDTCATRNSA-N 1 0 364.515 2.426 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)C1CC[NH+](CC2CCOCC2)CC1 ZINC000997308526 680352000 /nfs/dbraw/zinc/35/20/00/680352000.db2.gz HBPZZPKPZIIGPG-LZQZEXGQSA-N 1 0 350.503 2.221 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2nc(C(C)C)ns2)C1 ZINC001027076481 680354798 /nfs/dbraw/zinc/35/47/98/680354798.db2.gz OVGOESNUNKBKKK-ZNMIVQPWSA-N 1 0 364.515 2.191 20 30 FEEDRO C=C(Br)CN(C)[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001027417171 680356200 /nfs/dbraw/zinc/35/62/00/680356200.db2.gz WLLPTACIDSMAHK-QLFBSQMISA-N 1 0 358.324 2.158 20 30 FEEDRO C[C@@H]([NH2+]Cc1ccc(C#N)s1)C1CCN(C(=O)[C@]23C[C@H]2COC3)CC1 ZINC001029103569 680386452 /nfs/dbraw/zinc/38/64/52/680386452.db2.gz DRBKIVOSCBKYPG-WTANOLMUSA-N 1 0 359.495 2.373 20 30 FEEDRO C[C@H]([NH2+]Cc1ccc(C#N)s1)C1CCN(C(=O)[C@]23C[C@H]2COC3)CC1 ZINC001029103568 680386466 /nfs/dbraw/zinc/38/64/66/680386466.db2.gz DRBKIVOSCBKYPG-RFUYNDQBSA-N 1 0 359.495 2.373 20 30 FEEDRO C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCO[C@H]2c2cnn(C)c2)C1 ZINC000999391177 680401592 /nfs/dbraw/zinc/40/15/92/680401592.db2.gz ISPBECZVSZOMDW-ZACQAIPSSA-N 1 0 366.893 2.221 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([N@H+](C)Cc2snnc2C)CC1 ZINC000985435787 680447675 /nfs/dbraw/zinc/44/76/75/680447675.db2.gz ORHPPNQDSWYTBZ-CVEARBPZSA-N 1 0 364.515 2.251 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([N@H+](C)C[C@H]2CC(C)(C)CO2)CC1 ZINC000985662380 680467734 /nfs/dbraw/zinc/46/77/34/680467734.db2.gz STIYJBQHEJCWKF-KURKYZTESA-N 1 0 350.503 2.315 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)NCC1CC[NH+](CC2CC(OCC)C2)CC1 ZINC001001852151 680478446 /nfs/dbraw/zinc/47/84/46/680478446.db2.gz SKTLMYWSRONNOY-GMNCBBECSA-N 1 0 350.503 2.221 20 30 FEEDRO CC[C@H](C(=O)N1CC[C@H]2CN(c3nc(Cl)c(C#N)s3)C[C@H]21)[NH+](C)C ZINC001040671491 680482371 /nfs/dbraw/zinc/48/23/71/680482371.db2.gz SUZXQXPIYKAEBN-QJPTWQEYSA-N 1 0 367.906 2.045 20 30 FEEDRO N#Cc1ccc(C[N@H+]2CC[C@]3(CCN(C(=O)[C@]45C[C@H]4COC5)C3)C2)s1 ZINC001041304963 680503844 /nfs/dbraw/zinc/50/38/44/680503844.db2.gz QLTQLCXJSGCSPD-JVPBZIDWSA-N 1 0 357.479 2.081 20 30 FEEDRO C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1Nc1nc(Cl)c(C#N)s1 ZINC001043359634 680577469 /nfs/dbraw/zinc/57/74/69/680577469.db2.gz VTWXSVCDXSVUOH-IRUJWGPZSA-N 1 0 367.906 2.267 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CC[NH+](CCn2cc(Cl)cn2)CC1 ZINC001006022960 680590697 /nfs/dbraw/zinc/59/06/97/680590697.db2.gz QPUYSZGPMGHGON-SJORKVTESA-N 1 0 366.893 2.050 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1CC[NH+](C[C@@H]2CCCOC2)CC1 ZINC001006128537 680594212 /nfs/dbraw/zinc/59/42/12/680594212.db2.gz SHOQGJYKJRSNHK-WDSOQIARSA-N 1 0 350.503 2.317 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1C[NH+](C[C@H](OC)C2CCCC2)C1 ZINC001044038361 680606673 /nfs/dbraw/zinc/60/66/73/680606673.db2.gz YAIYTBXLKKEOGM-FHWLQOOXSA-N 1 0 350.503 2.315 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CC2(CO1)CC[NH+](C(C)C)CC2 ZINC001045682904 680638457 /nfs/dbraw/zinc/63/84/57/680638457.db2.gz WLUIZQHVNBGIEO-BZSNNMDCSA-N 1 0 350.503 2.363 20 30 FEEDRO C=C(Cl)C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1C[C@@H](C)CC(=O)N1)C2 ZINC001045939173 680641801 /nfs/dbraw/zinc/64/18/01/680641801.db2.gz XCZBFLIFXNUOET-OGWOLHLISA-N 1 0 367.921 2.358 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCC[C@@]2(CC[N@@H+](CCCO)C2)C1 ZINC001045939254 680641850 /nfs/dbraw/zinc/64/18/50/680641850.db2.gz YTDQELKCFGNWOQ-HBFSDRIKSA-N 1 0 350.503 2.055 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCCC[C@]2(CC[N@@H+](CCOC)C2)C1 ZINC001045974151 680642772 /nfs/dbraw/zinc/64/27/72/680642772.db2.gz ZILIRRGSMVCMCK-CMKODMSKSA-N 1 0 350.503 2.319 20 30 FEEDRO CC[C@@H]1[C@@H](C(=O)N[C@]2(C)CCN(Cc3ccc(C#N)s3)C2)CC[N@@H+]1C ZINC001046330995 680646908 /nfs/dbraw/zinc/64/69/08/680646908.db2.gz ZBAAWNISRKKGGG-YQVWRLOYSA-N 1 0 360.527 2.431 20 30 FEEDRO C=CCC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2C[C@H]2c2cnn(C)c2)C1 ZINC001046976083 680655676 /nfs/dbraw/zinc/65/56/76/680655676.db2.gz CLCBDTFQYRUEPN-HRCADAONSA-N 1 0 352.429 2.173 20 30 FEEDRO CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@@H]2C[NH2+]CCC2(F)F)c1 ZINC000841816289 680913802 /nfs/dbraw/zinc/91/38/02/680913802.db2.gz ACMGWSPAQFLYFU-UKRRQHHQSA-N 1 0 352.385 2.164 20 30 FEEDRO N#Cc1ccc(-c2cccc(CNC(=O)N3CCO[C@H](C[NH3+])C3)c2)s1 ZINC000841830388 680913954 /nfs/dbraw/zinc/91/39/54/680913954.db2.gz HUBRLIUIINJMID-OAHLLOKOSA-N 1 0 356.451 2.156 20 30 FEEDRO C[NH+](C)CCCNC(=S)NN=C1CCCOc2cc3c(cc21)CCC3 ZINC000768485302 680947944 /nfs/dbraw/zinc/94/79/44/680947944.db2.gz OOLMLRYOMLBYCL-UHFFFAOYSA-N 1 0 360.527 2.468 20 30 FEEDRO C#CCOCCNC(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000769519484 680985675 /nfs/dbraw/zinc/98/56/75/680985675.db2.gz MZHXNJHOEAFJED-HNNXBMFYSA-N 1 0 357.376 2.257 20 30 FEEDRO C[C@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)[C@H](O)c1ccc(F)cc1 ZINC000843073456 680986102 /nfs/dbraw/zinc/98/61/02/680986102.db2.gz IESWTGCBUKVBBF-UGSOOPFHSA-N 1 0 362.426 2.183 20 30 FEEDRO C=C(Br)CN1C[C@@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@@H]2C1 ZINC001050050381 681039806 /nfs/dbraw/zinc/03/98/06/681039806.db2.gz BAPPRNCXVDFRSN-QKPAOTATSA-N 1 0 370.335 2.158 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]2C[N@H+](CCc3ccns3)C[C@H]21 ZINC001050144246 681042179 /nfs/dbraw/zinc/04/21/79/681042179.db2.gz MYBDPHWHZMMJIT-HPBDAGMYSA-N 1 0 361.511 2.200 20 30 FEEDRO C[NH+]1CCN(c2ccc(C=NNC(=S)Nc3cccnc3)cc2)CC1 ZINC000771555330 681059510 /nfs/dbraw/zinc/05/95/10/681059510.db2.gz JAAJHBKBSOBNQD-UHFFFAOYSA-N 1 0 354.483 2.154 20 30 FEEDRO C[C@@H]1[C@H](C(=O)NCC2CC(Nc3nc(Cl)c(C#N)s3)C2)CC[N@@H+]1C ZINC001052124787 681071830 /nfs/dbraw/zinc/07/18/30/681071830.db2.gz VMHVWMGYVNZPNC-HBIQZDMRSA-N 1 0 367.906 2.315 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1COC2(C[NH+](CC(CC)CC)C2)C1 ZINC001053805658 681104026 /nfs/dbraw/zinc/10/40/26/681104026.db2.gz VMDWWDDINPQLTG-KURKYZTESA-N 1 0 350.503 2.363 20 30 FEEDRO Cc1nsc(NC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]2C)c1C#N ZINC001054420896 681108190 /nfs/dbraw/zinc/10/81/90/681108190.db2.gz WIVKVKGSFJNIRY-IUODEOHRSA-N 1 0 361.515 2.171 20 30 FEEDRO C[C@@H]1[C@H](C(=O)N2CCC(Nc3snc(Cl)c3C#N)CC2)CC[N@@H+]1C ZINC001057443351 681160898 /nfs/dbraw/zinc/16/08/98/681160898.db2.gz KZYAMPQRPSDPDC-ZYHUDNBSSA-N 1 0 367.906 2.411 20 30 FEEDRO C#CCN1CCC[C@H]1C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000846100836 681183300 /nfs/dbraw/zinc/18/33/00/681183300.db2.gz AMMFXWPFLARVFR-MJGOQNOKSA-N 1 0 359.539 2.434 20 30 FEEDRO C#CCOc1ccc(Br)cc1C[NH2+]CC[C@@]1(O)CCCOC1 ZINC000846110869 681184417 /nfs/dbraw/zinc/18/44/17/681184417.db2.gz PIJCIBYDIIZKJA-KRWDZBQOSA-N 1 0 368.271 2.482 20 30 FEEDRO C#CCNC(=S)NCCc1ccc(OCC[NH+]2C[C@@H](C)[C@H](C)C2)cc1 ZINC000774562903 681204342 /nfs/dbraw/zinc/20/43/42/681204342.db2.gz BFMGUYCMGNUTMI-IAGOWNOFSA-N 1 0 359.539 2.293 20 30 FEEDRO CCCCCCCCCS(=O)(=O)N1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000846230380 681205623 /nfs/dbraw/zinc/20/56/23/681205623.db2.gz QNDZLBUSKYHTAH-KRWDZBQOSA-N 1 0 371.551 2.454 20 30 FEEDRO C[NH+]1CCC(OCC(=O)N[C@@H](C#N)c2cccc(C(F)(F)F)c2)CC1 ZINC000932442643 681248063 /nfs/dbraw/zinc/24/80/63/681248063.db2.gz ULHVEVKQSYIKAC-HNNXBMFYSA-N 1 0 355.360 2.497 20 30 FEEDRO C=CCN1CCC(NC(=O)Nc2ccccc2S(=O)(=O)C2CC2)CC1 ZINC000933267851 681382223 /nfs/dbraw/zinc/38/22/23/681382223.db2.gz CGQITTARMMSECB-UHFFFAOYSA-N 1 0 363.483 2.395 20 30 FEEDRO C=CCN1CC[C@@H]([NH2+][C@](C)(CO)Cc2ccc(Br)cc2)C1=O ZINC000933443820 681413885 /nfs/dbraw/zinc/41/38/85/681413885.db2.gz ZMSWJCAZYFCENU-WBVHZDCISA-N 1 0 367.287 2.119 20 30 FEEDRO COC(=O)c1ccc(OC[C@@H](O)C[N@H+](C)Cc2cc(C#N)cs2)cc1 ZINC000933779380 681467426 /nfs/dbraw/zinc/46/74/26/681467426.db2.gz CAILQAMMHGZNCS-HNNXBMFYSA-N 1 0 360.435 2.278 20 30 FEEDRO CN1CCN(CC#Cc2ccc(OC(F)(F)F)cc2)CC[N@H+](C)CC1 ZINC000933993609 681494533 /nfs/dbraw/zinc/49/45/33/681494533.db2.gz YYDVPWYKJSNQSF-UHFFFAOYSA-N 1 0 355.404 2.116 20 30 FEEDRO COc1ccc([C@H](CNS(=O)(=O)CC(C)(C)C#N)[NH+]2CCCC2)cc1 ZINC000777816199 681533546 /nfs/dbraw/zinc/53/35/46/681533546.db2.gz OUYLTVVCMJFIKE-KRWDZBQOSA-N 1 0 365.499 2.301 20 30 FEEDRO N#Cc1ccc(CN2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)c(OC(F)F)c1 ZINC000934262490 681537280 /nfs/dbraw/zinc/53/72/80/681537280.db2.gz KFJJEIDXSVKAEN-HZPDHXFCSA-N 1 0 351.397 2.191 20 30 FEEDRO N#Cc1ccc(Br)c(CN2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)c1 ZINC000934264932 681538860 /nfs/dbraw/zinc/53/88/60/681538860.db2.gz JSHIAZMMAJPFAX-IRXDYDNUSA-N 1 0 364.287 2.352 20 30 FEEDRO N#Cc1cc(Br)ccc1CN1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000934270371 681540948 /nfs/dbraw/zinc/54/09/48/681540948.db2.gz UXIZWXSJXLSBAR-DLBZAZTESA-N 1 0 364.287 2.352 20 30 FEEDRO C#CCOc1cccc(Cl)c1C[NH2+]CCCN(C)S(=O)(=O)CC ZINC000778155579 681580967 /nfs/dbraw/zinc/58/09/67/681580967.db2.gz FLBBCTAKQXKMBF-UHFFFAOYSA-N 1 0 358.891 2.113 20 30 FEEDRO CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000848940211 681646136 /nfs/dbraw/zinc/64/61/36/681646136.db2.gz IQERLIJWZSELLL-HUUCEWRRSA-N 1 0 352.479 2.161 20 30 FEEDRO Cc1ccc(C[C@@H](CO)C[NH+]=C(N(C)C)N(C)C)cc1Br ZINC000849115401 681657587 /nfs/dbraw/zinc/65/75/87/681657587.db2.gz RRMIQUIWWZZPGD-CQSZACIVSA-N 1 0 356.308 2.388 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(CC)C1C[NH+](CC2CC(OCC)C2)C1 ZINC000953830918 681800822 /nfs/dbraw/zinc/80/08/22/681800822.db2.gz MKEMBUFEAKOYGM-FYOYPEGLSA-N 1 0 350.503 2.315 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC2(CC1)CC[NH+](CCCO)CC2 ZINC000957552477 681907065 /nfs/dbraw/zinc/90/70/65/681907065.db2.gz RAIVLYSKQSRUAA-MSOLQXFVSA-N 1 0 350.503 2.055 20 30 FEEDRO CC(C)C[N@@H+]1CCC[C@@H](CNS(=O)(=O)Cc2csc(C#N)c2)C1 ZINC000914272401 685501908 /nfs/dbraw/zinc/50/19/08/685501908.db2.gz AUJIVWUTXKPVOB-AWEZNQCLSA-N 1 0 355.529 2.407 20 30 FEEDRO CC(C)(C#N)CS(=O)(=O)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000914361186 685505443 /nfs/dbraw/zinc/50/54/43/685505443.db2.gz INPNVUWDJCBMQZ-KZNAEPCWSA-N 1 0 361.511 2.366 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@H]1C[N@@H+](C)CC1CCOCC1 ZINC000960648941 682056317 /nfs/dbraw/zinc/05/63/17/682056317.db2.gz VSSMPJNQLHAWGO-OTWHNJEPSA-N 1 0 350.503 2.317 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)NC1CC(C[NH2+]Cc2ncc(Cl)s2)C1 ZINC000962322237 682115969 /nfs/dbraw/zinc/11/59/69/682115969.db2.gz TVRXINSGCBPFOV-TUUUFIMRSA-N 1 0 355.891 2.372 20 30 FEEDRO C=CCS(=O)(=O)CC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000783536293 682150820 /nfs/dbraw/zinc/15/08/20/682150820.db2.gz KLFCZBSBKDDSIC-HUUCEWRRSA-N 1 0 360.520 2.355 20 30 FEEDRO CC[NH+](CC)Cc1cc(C(C)=NNC(=S)NCCCOC)ccc1O ZINC000916541325 685525350 /nfs/dbraw/zinc/52/53/50/685525350.db2.gz PFLMMXUNOFFJCK-UHFFFAOYSA-N 1 0 366.531 2.459 20 30 FEEDRO C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)c3ccc(C#N)cc3C(F)(F)F)C[C@@H]2C1 ZINC000916666495 685526872 /nfs/dbraw/zinc/52/68/72/685526872.db2.gz OTLXGMSXCHXTNU-OLZOCXBDSA-N 1 0 373.400 2.149 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]C[C@@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)O1 ZINC000852137968 682225802 /nfs/dbraw/zinc/22/58/02/682225802.db2.gz CCWLLWNOIYSPIM-XHSDSOJGSA-N 1 0 352.475 2.478 20 30 FEEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H](C(C)C)[C@H](O)c1ccc(Cl)cc1 ZINC000852730791 682328131 /nfs/dbraw/zinc/32/81/31/682328131.db2.gz GSIYHHXKSQTBJY-APHBMKBZSA-N 1 0 367.877 2.388 20 30 FEEDRO O=C(C#CC1CC[NH2+]CC1)NCCc1ccc(F)c(Br)c1 ZINC000852821002 682346897 /nfs/dbraw/zinc/34/68/97/682346897.db2.gz WQIJDHMVUVKRBI-UHFFFAOYSA-N 1 0 353.235 2.250 20 30 FEEDRO O=C(C#CC1CC[NH2+]CC1)N1CCc2c(Br)ccc(F)c2C1 ZINC000852888229 682353776 /nfs/dbraw/zinc/35/37/76/682353776.db2.gz VOMJHPFEFNMRQL-UHFFFAOYSA-N 1 0 365.246 2.476 20 30 FEEDRO COc1cc(NC(=O)C#CC2CC[NH2+]CC2)cc(OC)c1Br ZINC000852887708 682353929 /nfs/dbraw/zinc/35/39/29/682353929.db2.gz AIWQSTYAORIJEQ-UHFFFAOYSA-N 1 0 367.243 2.408 20 30 FEEDRO C#CCCN(CCOC)C(=S)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000853050709 682368439 /nfs/dbraw/zinc/36/84/39/682368439.db2.gz NYMOEESOGPIFGV-UHFFFAOYSA-N 1 0 359.539 2.497 20 30 FEEDRO C=C(Cl)C(C)(C)C(=O)N1C[C@H]2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)C[C@H]21 ZINC000972339383 682407559 /nfs/dbraw/zinc/40/75/59/682407559.db2.gz DQADDDNLUFDVPI-NUEKZKHPSA-N 1 0 367.921 2.309 20 30 FEEDRO C=CCn1nnn(CN2CC[C@@H]([N@H+](C)CCc3ccccc3)C2)c1=S ZINC000853559768 682434118 /nfs/dbraw/zinc/43/41/18/682434118.db2.gz IPQRPLBLHKIKEM-QGZVFWFLSA-N 1 0 358.515 2.201 20 30 FEEDRO C=C(Cl)C(C)(C)C(=O)N1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC000972993011 682441860 /nfs/dbraw/zinc/44/18/60/682441860.db2.gz VSYVGOJOMRMLKY-HZPDHXFCSA-N 1 0 367.921 2.166 20 30 FEEDRO C[N@H+](CCOCC(F)(F)C(F)(F)F)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000787239096 682444027 /nfs/dbraw/zinc/44/40/27/682444027.db2.gz HXRZGBIQNMZNHT-MRVPVSSYSA-N 1 0 372.256 2.296 20 30 FEEDRO C#CCN(CC(=O)OC(C)(C)C)C(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000853684232 682456089 /nfs/dbraw/zinc/45/60/89/682456089.db2.gz NRFBQHOENKPLQA-MRXNPFEDSA-N 1 0 351.491 2.093 20 30 FEEDRO CC(C)[N@H+](C)Cc1cc(O[C@H]2CCN(C(=O)CSCC#N)C2)ccn1 ZINC000856658633 682795398 /nfs/dbraw/zinc/79/53/98/682795398.db2.gz CWSBINSKOWCNMV-KRWDZBQOSA-N 1 0 362.499 2.158 20 30 FEEDRO C[NH+](C)[C@H]1CCc2ccccc2N(S(=O)(=O)c2cncc(C#N)c2)C1 ZINC000857902326 682924092 /nfs/dbraw/zinc/92/40/92/682924092.db2.gz RXQFPJPXMDIIMF-INIZCTEOSA-N 1 0 356.451 2.025 20 30 FEEDRO CCCCCCCNC(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000858112957 682935154 /nfs/dbraw/zinc/93/51/54/682935154.db2.gz CQHKTAKAHNMUDA-UHFFFAOYSA-N 1 0 354.539 2.053 20 30 FEEDRO C#CCNC(=O)CN1CC[NH+](C[C@@H](C)CSc2ccccc2C)CC1 ZINC000859118379 683041098 /nfs/dbraw/zinc/04/10/98/683041098.db2.gz APKSKYAJEGSEAM-QGZVFWFLSA-N 1 0 359.539 2.090 20 30 FEEDRO CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)c1cc(C#N)ccc1Cl)C2 ZINC000926150078 683083166 /nfs/dbraw/zinc/08/31/66/683083166.db2.gz FMTJDLULNQDWSZ-YWTNHNAXSA-N 1 0 361.873 2.421 20 30 FEEDRO CC(C)(C)OC(=O)[C@]1(C)CC[N@H+](C[C@@H](O)CC2(C#N)CCOCC2)C1 ZINC000859328183 683085390 /nfs/dbraw/zinc/08/53/90/683085390.db2.gz AVNONCCSVHFJQZ-MAUKXSAKSA-N 1 0 352.475 2.111 20 30 FEEDRO C[C@H]([NH2+]Cc1ccc(C#N)c(Cl)c1)C1CCN(S(C)(=O)=O)CC1 ZINC000926371535 683116687 /nfs/dbraw/zinc/11/66/87/683116687.db2.gz XINZPRARIJZURL-LBPRGKRZSA-N 1 0 355.891 2.361 20 30 FEEDRO O=C(NCC[NH2+]Cc1cscc1Br)C1N=CC=CC1=O ZINC000796307448 683152137 /nfs/dbraw/zinc/15/21/37/683152137.db2.gz KTGCCPPUKNTAKY-OUKQBFOZSA-N 1 0 356.245 2.127 20 30 FEEDRO C=CC[C@H](CO)C[NH2+][C@H](C1CC1)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000796855983 683201481 /nfs/dbraw/zinc/20/14/81/683201481.db2.gz SSIKMNKLGIFOOA-USXIJHARSA-N 1 0 354.491 2.175 20 30 FEEDRO CC(C)(C)NS(=O)(=O)c1ccccc1N=NC1C[NH+]2CCC1CC2 ZINC000920376767 683337516 /nfs/dbraw/zinc/33/75/16/683337516.db2.gz RLKNUTYDPJMXEZ-UHFFFAOYSA-N 1 0 350.488 2.257 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)c2ccc(OCCOC)cc2Cl)CC1 ZINC000928654109 683482331 /nfs/dbraw/zinc/48/23/31/683482331.db2.gz NPOZYNKRGRSABM-UHFFFAOYSA-N 1 0 350.846 2.193 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)c2[nH]nc(C(C)C)c2Br)CC1 ZINC000928657890 683483097 /nfs/dbraw/zinc/48/30/97/683483097.db2.gz CXWVDWYLZXNPEE-UHFFFAOYSA-N 1 0 353.264 2.123 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)c2cnn(Cc3ccccc3Cl)c2)CC1 ZINC000928659503 683483112 /nfs/dbraw/zinc/48/31/12/683483112.db2.gz OSHXIXHBZYLGAQ-UHFFFAOYSA-N 1 0 356.857 2.412 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000861837399 683483217 /nfs/dbraw/zinc/48/32/17/683483217.db2.gz CGGFLAJPYXQCFO-UHFFFAOYSA-N 1 0 354.204 2.042 20 30 FEEDRO CCN(CCC#N)S(=O)(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000800022155 683521786 /nfs/dbraw/zinc/52/17/86/683521786.db2.gz LKGIPSSZFRPGCX-UHFFFAOYSA-N 1 0 356.536 2.101 20 30 FEEDRO CC1([NH+]2CCC2)CCC(NS(=O)(=O)c2ccc(C#N)cc2F)CC1 ZINC000921721600 683557018 /nfs/dbraw/zinc/55/70/18/683557018.db2.gz FKHRMORLQPNDCQ-UHFFFAOYSA-N 1 0 351.447 2.383 20 30 FEEDRO C=CCN1CCC([NH2+][C@H](C)[C@H]2CN(C(=O)OC(C)(C)C)CCO2)CC1 ZINC000862276551 683563502 /nfs/dbraw/zinc/56/35/02/683563502.db2.gz UCLKZWOFXHNNIJ-NVXWUHKLSA-N 1 0 353.507 2.251 20 30 FEEDRO N#Cc1ncc(Br)cc1N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000863477583 683731439 /nfs/dbraw/zinc/73/14/39/683731439.db2.gz PZBPSKYRFBWTDA-AWEZNQCLSA-N 1 0 365.275 2.311 20 30 FEEDRO CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)NCC(C)(C)CCC#N)C2 ZINC000922486173 683733215 /nfs/dbraw/zinc/73/32/15/683733215.db2.gz PWTDKOGPVGDUNM-OAFZBRQQSA-N 1 0 350.507 2.095 20 30 FEEDRO N#Cc1ccccc1OC[C@H](O)C[NH2+]C[C@H](O)c1ccc(Cl)c(F)c1 ZINC000863561151 683742837 /nfs/dbraw/zinc/74/28/37/683742837.db2.gz CLMKVMBDQVIBLP-PBHICJAKSA-N 1 0 364.804 2.414 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)Nc2ccnc(OCC(F)(F)F)c2)CC1 ZINC000930732341 683777004 /nfs/dbraw/zinc/77/70/04/683777004.db2.gz GUPHAGPCKYCXAL-UHFFFAOYSA-N 1 0 356.348 2.242 20 30 FEEDRO CC1(C)CC[C@H](CNC(=O)N2CCN(c3ccsc3C#N)CC2)[NH2+]C1 ZINC000864055232 683798605 /nfs/dbraw/zinc/79/86/05/683798605.db2.gz LBYUAYOTNXOSFG-CQSZACIVSA-N 1 0 361.515 2.230 20 30 FEEDRO N#Cc1ccc(Br)c(C[NH2+][C@H]2C[C@H](O)C23CCOCC3)c1 ZINC000923019335 683820462 /nfs/dbraw/zinc/82/04/62/683820462.db2.gz MHWFNLVWQQDAPH-GJZGRUSLSA-N 1 0 351.244 2.340 20 30 FEEDRO C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CC[N@@H+](CC)C1 ZINC000864961550 683914739 /nfs/dbraw/zinc/91/47/39/683914739.db2.gz BQPCBTGMWHFKDK-ZIAGYGMSSA-N 1 0 359.898 2.480 20 30 FEEDRO C[NH+]1CCC(C#N)(NC(=O)[C@H]2[C@@H]3c4cc(Br)ccc4C[C@H]23)CC1 ZINC000865197149 683949582 /nfs/dbraw/zinc/94/95/82/683949582.db2.gz ABNYGICBXDMVQN-ARFHVFGLSA-N 1 0 374.282 2.439 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)c2c(C(F)F)nc3n2CCCC3)CC1 ZINC000866014906 684060844 /nfs/dbraw/zinc/06/08/44/684060844.db2.gz HOWOPTMELYURIO-UHFFFAOYSA-N 1 0 350.413 2.375 20 30 FEEDRO C=CC1(CC(=O)N2CCC[C@H]2C[NH+](C)C)CN(C(=O)OC(C)(C)C)C1 ZINC000931663116 684323054 /nfs/dbraw/zinc/32/30/54/684323054.db2.gz QJXKMFXSORASMS-HNNXBMFYSA-N 1 0 351.491 2.352 20 30 FEEDRO C=CCCc1ccc(S(=O)(=O)N2CCC3(CO[C@H](C[NH3+])C3)CC2)cc1 ZINC000923689326 684331806 /nfs/dbraw/zinc/33/18/06/684331806.db2.gz YHTKZMNAQDTSMB-KRWDZBQOSA-N 1 0 364.511 2.324 20 30 FEEDRO COc1cc(C#N)ccc1S(=O)(=O)N1CCC2(CC1)CC[NH+](C)CC2 ZINC000867619641 684333677 /nfs/dbraw/zinc/33/36/77/684333677.db2.gz VHTZILFWJKYCMX-UHFFFAOYSA-N 1 0 363.483 2.063 20 30 FEEDRO N#Cc1cc(S(=O)(=O)N2CC[C@]3(C2)CCCC[NH2+]3)ccc1C(F)(F)F ZINC000923734702 684342143 /nfs/dbraw/zinc/34/21/43/684342143.db2.gz CNOFBXXZTFISDR-HNNXBMFYSA-N 1 0 373.400 2.484 20 30 FEEDRO COc1cc(C#N)ccc1S(=O)(=O)NCCC1CC[NH+](C(C)C)CC1 ZINC000867652704 684343593 /nfs/dbraw/zinc/34/35/93/684343593.db2.gz KBSWEZMVOCQQSI-UHFFFAOYSA-N 1 0 365.499 2.356 20 30 FEEDRO C#CCN(C(=O)NCCSCCC(F)(F)F)C1CC[NH+](C)CC1 ZINC000923914770 684367928 /nfs/dbraw/zinc/36/79/28/684367928.db2.gz ZIHCAYGASLFVNB-UHFFFAOYSA-N 1 0 351.438 2.411 20 30 FEEDRO C[C@@]1(C2CC[NH+](CCC(=O)Nc3sccc3C#N)CC2)COC(=O)N1 ZINC000932088792 684404511 /nfs/dbraw/zinc/40/45/11/684404511.db2.gz HCUMOTYAOXLIMW-KRWDZBQOSA-N 1 0 362.455 2.159 20 30 FEEDRO CN(CCc1cccc(C#N)c1)C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000925167211 684534269 /nfs/dbraw/zinc/53/42/69/684534269.db2.gz AYEKMUJXWQGAGI-MSOLQXFVSA-N 1 0 358.511 2.322 20 30 FEEDRO N#Cc1cc(S(=O)(=O)N[C@@]23CCC[C@@H]2[NH2+]CC3)ccc1C(F)(F)F ZINC000871820591 684863139 /nfs/dbraw/zinc/86/31/39/684863139.db2.gz RMJASQCOBYQKQM-UONOGXRCSA-N 1 0 359.373 2.140 20 30 FEEDRO N#Cc1ccc(OC[C@@H](O)C[NH2+]C[C@H](O)Cc2cccc(Cl)c2)cc1 ZINC000872246745 684931777 /nfs/dbraw/zinc/93/17/77/684931777.db2.gz FPQTVEVECWVBQO-MSOLQXFVSA-N 1 0 360.841 2.145 20 30 FEEDRO C=C(C)C[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1 ZINC000872299702 684935698 /nfs/dbraw/zinc/93/56/98/684935698.db2.gz PVTIRGMEAWBPNH-KFWWJZLASA-N 1 0 351.447 2.077 20 30 FEEDRO C[C@@H]1C(N=Nc2cc(C(F)(F)F)nc(-c3ccncc3)n2)CC[N@@H+]1C ZINC000872352756 684939223 /nfs/dbraw/zinc/93/92/23/684939223.db2.gz FUNANJFPSXHUOY-SNVBAGLBSA-N 1 0 350.348 2.471 20 30 FEEDRO COC(=O)CCC[NH+]1CCC(N=Nc2cc(Br)ncn2)CC1 ZINC000872435925 684948314 /nfs/dbraw/zinc/94/83/14/684948314.db2.gz LAEIXKRZHLKNOH-UHFFFAOYSA-N 1 0 370.251 2.056 20 30 FEEDRO C=CCc1cc(C[NH2+][C@@H]2CCCS(=O)(=O)CC2)cc(OC)c1OC ZINC000873044588 685057789 /nfs/dbraw/zinc/05/77/89/685057789.db2.gz RPFGAGJBOSJVDX-MRXNPFEDSA-N 1 0 353.484 2.489 20 30 FEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@H](Cc1ccccc1)C(=O)N(CC)CC ZINC000876557257 686219379 /nfs/dbraw/zinc/21/93/79/686219379.db2.gz DCIUSCHQJAKQML-HZPDHXFCSA-N 1 0 351.878 2.052 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)Nc1ccc(CN2C(=O)CSC2=O)cc1 ZINC000876634165 686234056 /nfs/dbraw/zinc/23/40/56/686234056.db2.gz ZSUXRIZXPUEUGZ-LBPRGKRZSA-N 1 0 353.831 2.290 20 30 FEEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)c1cc(Br)ccc1Br ZINC000876803868 686272371 /nfs/dbraw/zinc/27/23/71/686272371.db2.gz YLMPCHGRTMWVDN-HQJQHLMTSA-N 1 0 373.048 2.053 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NCc1ccc(C)nc1-n1cc(Cl)cn1 ZINC000876895648 686289910 /nfs/dbraw/zinc/28/99/10/686289910.db2.gz HMGWXHHHNBXBNJ-ZDUSSCGKSA-N 1 0 354.241 2.315 20 30 FEEDRO C=CC[C@@H](CO)C[NH2+]Cc1cc(C2CN(C(=O)OC(C)(C)C)C2)no1 ZINC000877129912 686329484 /nfs/dbraw/zinc/32/94/84/686329484.db2.gz GSTBRXUKJDSOFK-CYBMUJFWSA-N 1 0 351.447 2.283 20 30 FEEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]CC(C)(C)[C@H]1COCC12OCCO2 ZINC000877584944 686415987 /nfs/dbraw/zinc/41/59/87/686415987.db2.gz LWVZNSKPJCVVKQ-JKSUJKDBSA-N 1 0 352.475 2.091 20 30 FEEDRO CO[C@H]1COCC[C@@H]1[N@H+](C)CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000880430394 687047629 /nfs/dbraw/zinc/04/76/29/687047629.db2.gz MFUHJLKQXHUCIA-HOTGVXAUSA-N 1 0 351.834 2.276 20 30 FEEDRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)Nc1cc(C#N)c(F)cc1F ZINC000880713700 687077660 /nfs/dbraw/zinc/07/76/60/687077660.db2.gz VLPMXMQTJLWHGQ-NSHDSACASA-N 1 0 352.385 2.145 20 30 FEEDRO Cc1cc(NC(=O)N(CCC#N)CCC[NH+](C)C)cc(S(C)(=O)=O)c1 ZINC000880847716 687092097 /nfs/dbraw/zinc/09/20/97/687092097.db2.gz VJUPXIXTELFIDU-UHFFFAOYSA-N 1 0 366.487 2.098 20 30 FEEDRO C[C@@H](C#N)OCCn1cc([C@H]([NH3+])c2ccc(Br)cc2)nn1 ZINC000881323527 687124207 /nfs/dbraw/zinc/12/42/07/687124207.db2.gz KMIJLHQETNTXDP-IINYFYTJSA-N 1 0 350.220 2.017 20 30 FEEDRO CC[NH+]1CCN([C@H](C)CNc2ncc(C#N)cc2Br)CC1 ZINC000881808481 687222406 /nfs/dbraw/zinc/22/24/06/687222406.db2.gz UMBBRZCAJYUDLP-GFCCVEGCSA-N 1 0 352.280 2.154 20 30 FEEDRO CC(C)[NH+]1CCC(CCNc2ccc(C#N)cc2CS(N)(=O)=O)CC1 ZINC000882686203 687442285 /nfs/dbraw/zinc/44/22/85/687442285.db2.gz SSBXCBKCAYZJMR-UHFFFAOYSA-N 1 0 364.515 2.269 20 30 FEEDRO C=CCC[C@H]([NH2+]CCc1ccc(S(=O)(=O)NC)cc1)[C@@H]1CCCO1 ZINC000883242426 687592884 /nfs/dbraw/zinc/59/28/84/687592884.db2.gz HCAWNKMNKASLKJ-ROUUACIJSA-N 1 0 352.500 2.241 20 30 FEEDRO N#C[C@H]1C[NH2+]CC12CC(C(=O)NC[C@H](O)c1cc3ccccc3s1)C2 ZINC000884140252 687798742 /nfs/dbraw/zinc/79/87/42/687798742.db2.gz NZYPYDTWBSPWKE-LPRCSBTHSA-N 1 0 355.463 2.190 20 30 FEEDRO N#C[C@@H]1C[NH2+]CC12CC(C(=O)NC[C@@H](O)c1cc(Cl)cc(Cl)c1)C2 ZINC000884144988 687799941 /nfs/dbraw/zinc/79/99/41/687799941.db2.gz ZLNRWUNMDKORPZ-WLBPZHLASA-N 1 0 368.264 2.282 20 30 FEEDRO Cc1cc(C)c(CC(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)c(C)c1Br ZINC000884249957 687829238 /nfs/dbraw/zinc/82/92/38/687829238.db2.gz UXDQEIXNAFWWOV-JSGCOSHPSA-N 1 0 350.260 2.145 20 30 FEEDRO N#C[C@@H]1C[NH2+]CC12CC(C(=O)N1CCO[C@@H](c3cccc(Cl)c3)C1)C2 ZINC000884316401 687845811 /nfs/dbraw/zinc/84/58/11/687845811.db2.gz RGHFIXXKWMCGMW-QXCFYTAISA-N 1 0 359.857 2.379 20 30 FEEDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2S(=O)(=O)Cc1ccc(F)cc1C#N ZINC000885459636 688078310 /nfs/dbraw/zinc/07/83/10/688078310.db2.gz MCGKSMZMRJTXBH-SJORKVTESA-N 1 0 351.447 2.086 20 30 FEEDRO Cc1ccc(C#N)cc1S(=O)(=O)N1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000885845797 688167186 /nfs/dbraw/zinc/16/71/86/688167186.db2.gz SSGILBULGVOOGD-HNNXBMFYSA-N 1 0 356.451 2.161 20 30 FEEDRO C[C@@H]([NH2+]C[C@H](O)CC1(C#N)CCC1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000886109880 688204584 /nfs/dbraw/zinc/20/45/84/688204584.db2.gz UHRFZULJCIDMJA-GDBMZVCRSA-N 1 0 365.499 2.032 20 30 FEEDRO CC[N@H+](CCC(=O)N(C)CCC#N)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000886412985 688249058 /nfs/dbraw/zinc/24/90/58/688249058.db2.gz ZDWJIWWEOCYEIR-OAHLLOKOSA-N 1 0 352.479 2.080 20 30 FEEDRO C=C(C[NH+](C)C)C(=O)N[C@](C)(C(=O)OC)c1cccc(Br)c1 ZINC000886434469 688256697 /nfs/dbraw/zinc/25/66/97/688256697.db2.gz IFTORVXMWUOBFQ-INIZCTEOSA-N 1 0 369.259 2.071 20 30 FEEDRO C#CCN(C(=O)[C@@H](O)c1cccc(Br)c1)C1CC[NH+](C)CC1 ZINC000886572645 688278169 /nfs/dbraw/zinc/27/81/69/688278169.db2.gz VCLXCJZIKODTSJ-INIZCTEOSA-N 1 0 365.271 2.039 20 30 FEEDRO C#CCN(C(=O)CC[C@@H](C)NC(=O)OC(C)(C)C)C1CC[NH+](C)CC1 ZINC000886577265 688278823 /nfs/dbraw/zinc/27/88/23/688278823.db2.gz BWSKWTNEVXSJCV-OAHLLOKOSA-N 1 0 351.491 2.236 20 30 FEEDRO C#CCN(C(=O)c1cc(Br)cn1CC)C1CC[NH+](C)CC1 ZINC000886582503 688279604 /nfs/dbraw/zinc/27/96/04/688279604.db2.gz XOPYDBKVOAVSQK-UHFFFAOYSA-N 1 0 352.276 2.440 20 30 FEEDRO C#CCN(C(=O)[C@@H](C)NC(=O)c1ccc(Cl)cc1)C1CC[NH+](C)CC1 ZINC000886589396 688280468 /nfs/dbraw/zinc/28/04/68/688280468.db2.gz UDPJTBADWJLWKX-CQSZACIVSA-N 1 0 361.873 2.014 20 30 FEEDRO COC[C@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1C#N)[C@H]1CCCOC1 ZINC000886910900 688339576 /nfs/dbraw/zinc/33/95/76/688339576.db2.gz XNDVJNPEIRXLHG-BBRMVZONSA-N 1 0 351.834 2.181 20 30 FEEDRO CN1C(=O)C[C@H]([NH2+]C[C@H](O)CC(C)(C)C#N)[C@H]1c1ccc(F)c(F)c1 ZINC000887112000 688368952 /nfs/dbraw/zinc/36/89/52/688368952.db2.gz CFQCRNBTNKUJKY-ISTRZQFTSA-N 1 0 351.397 2.127 20 30 FEEDRO C#CCC1([NH2+]Cc2nc3cc(S(=O)(=O)CC)ccc3o2)CCOCC1 ZINC000887124664 688369830 /nfs/dbraw/zinc/36/98/30/688369830.db2.gz NSLGKSWRNVCEHG-UHFFFAOYSA-N 1 0 362.451 2.284 20 30 FEEDRO C#CCC1([NH2+]CC(=O)N(Cc2ccco2)CC(F)(F)F)CCOCC1 ZINC000887125656 688370415 /nfs/dbraw/zinc/37/04/15/688370415.db2.gz DVBZYNBXEHPBBD-UHFFFAOYSA-N 1 0 358.360 2.333 20 30 FEEDRO CN(Cc1cc(C#N)cs1)C(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000887971085 688528272 /nfs/dbraw/zinc/52/82/72/688528272.db2.gz PPHGVJKVQBYJSF-LJQANCHMSA-N 1 0 355.463 2.215 20 30 FEEDRO CSc1nccnc1C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000888954150 688709375 /nfs/dbraw/zinc/70/93/75/688709375.db2.gz HLRQESQOLBDSNW-UHFFFAOYSA-N 1 0 355.467 2.274 20 30 FEEDRO C[C@@H]([NH2+]C1CCC(Oc2ccc(C#N)cn2)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000893220000 689315325 /nfs/dbraw/zinc/31/53/25/689315325.db2.gz HTZSAIPEYRGION-PMRDFSHISA-N 1 0 363.483 2.056 20 30 FEEDRO C=CCS(=O)(=O)CC[NH2+][C@@H]1CC[C@@H](C(=O)OCC)[C@@H](C(F)(F)F)C1 ZINC000893505422 689358549 /nfs/dbraw/zinc/35/85/49/689358549.db2.gz MCIMAYDUQHNODR-UPJWGTAASA-N 1 0 371.421 2.087 20 30 FEEDRO C=CCC[C@H](CO)[NH2+][C@H]1C[C@@H](NC(=O)OC(C)(C)C)C12CCOCC2 ZINC000894770008 689593054 /nfs/dbraw/zinc/59/30/54/689593054.db2.gz RXJDKDUZIIQANM-OWCLPIDISA-N 1 0 354.491 2.366 20 30 FEEDRO C[C@@H]1[C@H](NC(=O)NCc2nc(C#N)cs2)CC[N@@H+]1Cc1ccccc1 ZINC000894884960 689614034 /nfs/dbraw/zinc/61/40/34/689614034.db2.gz MSMNOAVGUAZKAU-CZUORRHYSA-N 1 0 355.467 2.477 20 30 FEEDRO N#Cc1cc(Br)cnc1N1CC[NH+](CCCCCO)CC1 ZINC000894964675 689630726 /nfs/dbraw/zinc/63/07/26/689630726.db2.gz UZWSWLHODOOQNE-UHFFFAOYSA-N 1 0 353.264 2.000 20 30 FEEDRO CNS(=O)(=O)c1ccc(N2CC[NH+](CC(C)(C)CCC#N)CC2)cc1 ZINC000895561568 689735813 /nfs/dbraw/zinc/73/58/13/689735813.db2.gz RNFCCKOURFFVIC-UHFFFAOYSA-N 1 0 364.515 2.047 20 30 FEEDRO Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)NCc3nc(C#N)cs3)C2)cc1 ZINC000896140899 689825767 /nfs/dbraw/zinc/82/57/67/689825767.db2.gz JISVBRNMPMSMPF-OAHLLOKOSA-N 1 0 355.467 2.397 20 30 FEEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+][C@H]1CCN(c2cn[nH]c(=O)c2Cl)C1 ZINC000898369304 690168706 /nfs/dbraw/zinc/16/87/06/690168706.db2.gz VETFYZOUVDYKKT-OLZOCXBDSA-N 1 0 365.865 2.103 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@@]2(C(=O)OC(C)(C)C)CCCO2)CC1 ZINC000900599093 690537103 /nfs/dbraw/zinc/53/71/03/690537103.db2.gz NRTCEBSEWVDPGX-LJQANCHMSA-N 1 0 352.475 2.034 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)N[C@@](C)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000900959213 690593763 /nfs/dbraw/zinc/59/37/63/690593763.db2.gz PFBAZQYWLQQADR-MRXNPFEDSA-N 1 0 357.376 2.030 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)NC[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000901068800 690608296 /nfs/dbraw/zinc/60/82/96/690608296.db2.gz JEHOBRWWLXOLEQ-AWEZNQCLSA-N 1 0 360.376 2.069 20 30 FEEDRO CC[C@@H]([NH2+]C[C@H](O)CS(=O)(=O)c1cccs1)c1cccc(C#N)c1 ZINC000902886658 690817382 /nfs/dbraw/zinc/81/73/82/690817382.db2.gz QSJBGLUFXXIONG-JKSUJKDBSA-N 1 0 364.492 2.495 20 30 FEEDRO CC[NH+]1CCC(NC(=O)COc2ccc(Br)c(C#N)c2)CC1 ZINC000902905971 690819560 /nfs/dbraw/zinc/81/95/60/690819560.db2.gz ZGDAYHWWUNNIFR-UHFFFAOYSA-N 1 0 366.259 2.300 20 30 FEEDRO N#Cc1sccc1S(=O)(=O)N1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC000903520554 690909307 /nfs/dbraw/zinc/90/93/07/690909307.db2.gz SDWQFZVISIUERI-ZDUSSCGKSA-N 1 0 353.513 2.410 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2CCC[C@@]23CC[NH2+]C3)cc1C(F)(F)F ZINC000903592572 690934762 /nfs/dbraw/zinc/93/47/62/690934762.db2.gz FZWKWZZUNNHBNJ-AWEZNQCLSA-N 1 0 359.373 2.094 20 30 FEEDRO COCC[C@@H]1C[NH2+]CCN1C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000904354746 691022104 /nfs/dbraw/zinc/02/21/04/691022104.db2.gz DSXJTSORYVSNCA-CYBMUJFWSA-N 1 0 356.348 2.419 20 30 FEEDRO CC1(C)C[NH2+][C@H]1C1CCN(S(=O)(=O)Cc2ccc(CC#N)cc2)CC1 ZINC000905355295 691107438 /nfs/dbraw/zinc/10/74/38/691107438.db2.gz BEWKHSPWIJCWIK-SFHVURJKSA-N 1 0 361.511 2.292 20 30 FEEDRO N#Cc1ccccc1OC[C@H](O)C[NH2+]CC[C@@H]1CC[C@@H](C(F)(F)F)O1 ZINC000905557065 691140010 /nfs/dbraw/zinc/14/00/10/691140010.db2.gz RTBKGIBOBCQXNR-YCPHGPKFSA-N 1 0 358.360 2.388 20 30 FEEDRO N#Cc1ccccc1OC[C@H](O)C[NH2+]CC[C@H]1CC[C@@H](C(F)(F)F)O1 ZINC000905557062 691140141 /nfs/dbraw/zinc/14/01/41/691140141.db2.gz RTBKGIBOBCQXNR-FMKPAKJESA-N 1 0 358.360 2.388 20 30 FEEDRO N#Cc1ccccc1OC[C@H](O)C[NH2+]C[C@@H]1CCC[C@H](C(F)(F)F)O1 ZINC000905565093 691141896 /nfs/dbraw/zinc/14/18/96/691141896.db2.gz GPSHKNQJNGXVAN-IJEWVQPXSA-N 1 0 358.360 2.388 20 30 FEEDRO CN1CC[N@H+](C)CC(C(=O)N[C@@H](C#N)c2c(Cl)cccc2Cl)C1 ZINC000906602586 691290379 /nfs/dbraw/zinc/29/03/79/691290379.db2.gz DCPZSGUDUABTKI-AWEZNQCLSA-N 1 0 355.269 2.168 20 30 FEEDRO C=CCC1(C(=O)N2CC[C@H](C[NH+](C)C)C2)CN(C(=O)OC(C)(C)C)C1 ZINC000906692137 691303004 /nfs/dbraw/zinc/30/30/04/691303004.db2.gz IVPGJQNGMVGTQT-OAHLLOKOSA-N 1 0 351.491 2.210 20 30 FEEDRO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)S(=O)(=O)CC3(C#N)CC3)C2)s1 ZINC000907344838 691457845 /nfs/dbraw/zinc/45/78/45/691457845.db2.gz GKHCTWGJOCWXBB-HNNXBMFYSA-N 1 0 367.540 2.444 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)N1CC[C@H]2[C@H](CCN2C(=O)OC(C)(C)C)C1 ZINC000908354102 691664932 /nfs/dbraw/zinc/66/49/32/691664932.db2.gz KIVIFOPSFZFMDZ-CVEARBPZSA-N 1 0 351.491 2.352 20 30 FEEDRO C=CCn1c(-c2cnsn2)nnc1N1CCC(C)([NH+]2CCCC2)CC1 ZINC000908721059 691718759 /nfs/dbraw/zinc/71/87/59/691718759.db2.gz GVHLNMNATCUGED-UHFFFAOYSA-N 1 0 359.503 2.437 20 30 FEEDRO C=CCOc1cc(C)nc(-n2nc(CN(C)C(C)C)c3c2C[NH2+]CC3)n1 ZINC001164682307 719623495 /nfs/dbraw/zinc/62/34/95/719623495.db2.gz MIPUESJQSNBGMS-UHFFFAOYSA-N 1 0 356.474 2.021 20 30 FEEDRO CNC(=O)C[N@@H+]1CCCC12CCN(c1ccc(C3(C#N)CCC3)cn1)CC2 ZINC001164687292 719719022 /nfs/dbraw/zinc/71/90/22/719719022.db2.gz VTTYFZHCACDVET-UHFFFAOYSA-N 1 0 367.497 2.208 20 30 FEEDRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncc(C#N)cc1C#N)C2 ZINC001164806384 720093477 /nfs/dbraw/zinc/09/34/77/720093477.db2.gz BTZGDOYKFYYYIG-UYAOXDASSA-N 1 0 351.454 2.010 20 30 FEEDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncc([N+](=O)[O-])cc1C#N)C2 ZINC001164807465 720104513 /nfs/dbraw/zinc/10/45/13/720104513.db2.gz CMUIPLQGKILHOY-LPHOPBHVSA-N 1 0 371.441 2.046 20 30 FEEDRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncc(C)cc1C=NO)C2 ZINC001164818804 720150141 /nfs/dbraw/zinc/15/01/41/720150141.db2.gz UTNFGDJQVOMPGJ-QUCCMNQESA-N 1 0 358.486 2.383 20 30 FEEDRO Cc1cc(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)ncc1C#N ZINC001164818913 720312565 /nfs/dbraw/zinc/31/25/65/720312565.db2.gz BREGFBXSKNVNOL-OALUTQOASA-N 1 0 367.497 2.173 20 30 FEEDRO Cc1nc(C#N)cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)n1 ZINC001164839484 720642377 /nfs/dbraw/zinc/64/23/77/720642377.db2.gz NKJSQFSSYPLJNZ-QXAKKESOSA-N 1 0 365.485 2.231 20 30 FEEDRO Cc1nc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)c(Cl)cc1C#N ZINC001164743550 720803459 /nfs/dbraw/zinc/80/34/59/720803459.db2.gz GUAWFLZFJPTIGE-LSDHHAIUSA-N 1 0 370.844 2.047 20 30 FEEDRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4cc(Cl)ncc4C#N)C[C@H]3C2)cn1 ZINC001164771594 721083322 /nfs/dbraw/zinc/08/33/22/721083322.db2.gz SDUVWHIHUVYMOZ-GOEBONIOSA-N 1 0 356.861 2.298 20 30 FEEDRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ncc(CC#N)cc4Cl)C[C@H]3C2)cn1 ZINC001164774496 721227358 /nfs/dbraw/zinc/22/73/58/721227358.db2.gz ZYBGWQDHYJPQCH-IAGOWNOFSA-N 1 0 370.888 2.493 20 30 FEEDRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2c1nc(Cl)cc(Cl)c1C#N ZINC001164932885 721887256 /nfs/dbraw/zinc/88/72/56/721887256.db2.gz KEIMEBYVBHIQJO-UONOGXRCSA-N 1 0 354.285 2.475 20 30 FEEDRO C[C@@H](NC(=O)CNc1ccc(C#N)cn1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000490834397 861941624 /nfs/dbraw/zinc/94/16/24/861941624.db2.gz MLSRXPMRKGVGKW-APWZRJJASA-N 1 0 363.465 2.392 20 30 FEEDRO CN(C)[C@H](C[NH2+]CCS(=O)(=O)c1cccc(C#N)c1)c1cccs1 ZINC000549110895 674017372 /nfs/dbraw/zinc/01/73/72/674017372.db2.gz DRFSHMZWHLPPJO-MRXNPFEDSA-N 1 0 363.508 2.286 20 30 FEEDRO N#Cc1ccccc1NC(=O)CC[NH+]1CCN(c2ccc(O)cc2)CC1 ZINC000022197780 539692183 /nfs/dbraw/zinc/69/21/83/539692183.db2.gz YRZDJGZPRGMKJW-UHFFFAOYSA-N 1 0 350.422 2.415 20 30 FEEDRO C[C@](C#N)(NC(=O)CN1CCC[N@H+](Cc2ccc(F)cc2)CC1)C1CC1 ZINC000022983190 539704643 /nfs/dbraw/zinc/70/46/43/539704643.db2.gz KIOVSQXDXVPSTC-HXUWFJFHSA-N 1 0 358.461 2.142 20 30 FEEDRO C[C@@H](CNC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000041655009 540029681 /nfs/dbraw/zinc/02/96/81/540029681.db2.gz HRRRLWPMNGNYJJ-OLZOCXBDSA-N 1 0 362.861 2.387 20 30 FEEDRO C=CCN1C(=O)c2ccc(C(=O)NCC[N@H+]3CCCC[C@@H]3C)cc2C1=O ZINC000044532640 540129619 /nfs/dbraw/zinc/12/96/19/540129619.db2.gz XCGBNAORUIBNGX-AWEZNQCLSA-N 1 0 355.438 2.073 20 30 FEEDRO C[NH+]1CCN(c2cc(CNC(=O)Nc3cccc(C#N)c3)ccn2)CC1 ZINC000047704335 540325413 /nfs/dbraw/zinc/32/54/13/540325413.db2.gz FDBCVNSFSMODDJ-UHFFFAOYSA-N 1 0 350.426 2.027 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)Nc2nnc(SCC(=O)OCC)s2)CC1 ZINC000050028530 540397621 /nfs/dbraw/zinc/39/76/21/540397621.db2.gz ZZEQTXNZPIAFGB-UHFFFAOYSA-N 1 0 368.484 2.127 20 30 FEEDRO CN(CC(F)(F)F)C(=O)CN1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000052409073 540464831 /nfs/dbraw/zinc/46/48/31/540464831.db2.gz KDGKKAFEXULZJE-UHFFFAOYSA-N 1 0 368.403 2.087 20 30 FEEDRO C=CCN(CC=C)C(=O)C[NH+]1CCC(C(=O)Nc2cccc(C)n2)CC1 ZINC000053162166 540515184 /nfs/dbraw/zinc/51/51/84/540515184.db2.gz GWQNSVCDVADSHP-UHFFFAOYSA-N 1 0 356.470 2.241 20 30 FEEDRO CNC(=O)[C@H]1CCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000055014586 540621467 /nfs/dbraw/zinc/62/14/67/540621467.db2.gz OHPASBNRRPYVHJ-OAHLLOKOSA-N 1 0 374.510 2.428 20 30 FEEDRO CC[N@H+](CC(=O)NC(=O)NCC(F)(F)F)[C@H](C)c1ccc(C#N)cc1 ZINC000060477400 541113835 /nfs/dbraw/zinc/11/38/35/541113835.db2.gz CCYDRQTYYPTABD-LLVKDONJSA-N 1 0 356.348 2.329 20 30 FEEDRO C[NH+]1CCN(Cc2ccc(NC(=O)CNc3ccc(C#N)cc3)cc2)CC1 ZINC000064724426 541215436 /nfs/dbraw/zinc/21/54/36/541215436.db2.gz BTHFGFRIHPEFCC-UHFFFAOYSA-N 1 0 363.465 2.356 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000064361922 541202951 /nfs/dbraw/zinc/20/29/51/541202951.db2.gz MEIGBUSHICAVAU-UHFFFAOYSA-N 1 0 350.444 2.381 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC000064361320 541203049 /nfs/dbraw/zinc/20/30/49/541203049.db2.gz PRNTXFZEWOVPHT-SFHVURJKSA-N 1 0 372.469 2.112 20 30 FEEDRO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCC[C@H](C(=O)NC2CCCCC2)C1 ZINC000065965473 541274963 /nfs/dbraw/zinc/27/49/63/541274963.db2.gz PBSIZYIELFRIOV-IRXDYDNUSA-N 1 0 362.518 2.155 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)Nc2cc(C)nn2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000066660465 541356517 /nfs/dbraw/zinc/35/65/17/541356517.db2.gz JTUGTINDADLEJK-UHFFFAOYSA-N 1 0 367.409 2.373 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)Nc2cccc(-c3ccc(=O)[nH]n3)c2)CC1 ZINC000066678848 541359012 /nfs/dbraw/zinc/35/90/12/541359012.db2.gz BZJJYWILBZILFL-UHFFFAOYSA-N 1 0 353.426 2.209 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N[C@H](c2ccc3c(c2)OCCO3)C2CC2)CC1 ZINC000066921775 541393704 /nfs/dbraw/zinc/39/37/04/541393704.db2.gz RTSOUNMDFDWELB-FQEVSTJZSA-N 1 0 354.450 2.370 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)NCc2cccc(NC(=O)N3CCCC3)c2)CC1 ZINC000067210963 541432941 /nfs/dbraw/zinc/43/29/41/541432941.db2.gz HNOUOTNIUBQLQQ-UHFFFAOYSA-N 1 0 368.481 2.276 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCC[C@H](CNC(C)=O)C1 ZINC000067413655 541459569 /nfs/dbraw/zinc/45/95/69/541459569.db2.gz HRUNGIOVUMUSOA-DOTOQJQBSA-N 1 0 363.527 2.499 20 30 FEEDRO Cc1cc(CNC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)no1 ZINC000067607844 541489332 /nfs/dbraw/zinc/48/93/32/541489332.db2.gz RWKYGJBYEYDUBB-UHFFFAOYSA-N 1 0 353.426 2.272 20 30 FEEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)Cc3cn4ccccc4n3)CC2)cc1 ZINC000068745005 541624402 /nfs/dbraw/zinc/62/44/02/541624402.db2.gz BUBLRSXFCVRTAX-UHFFFAOYSA-N 1 0 373.460 2.483 20 30 FEEDRO C=C(C)COc1cc(C[NH2+]CC(C)(C)NS(C)(=O)=O)ccc1OC ZINC000068990322 541646668 /nfs/dbraw/zinc/64/66/68/541646668.db2.gz RZSSPQZXMHKRHX-UHFFFAOYSA-N 1 0 356.488 2.068 20 30 FEEDRO Cc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000069121857 541659572 /nfs/dbraw/zinc/65/95/72/541659572.db2.gz FHZUJVGVRJPJLS-GOSISDBHSA-N 1 0 362.433 2.196 20 30 FEEDRO C[C@H](OC[C@H]1CCCCO1)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000069354571 541680378 /nfs/dbraw/zinc/68/03/78/541680378.db2.gz CMIOLGWCTRMLGU-FXAWDEMLSA-N 1 0 373.497 2.423 20 30 FEEDRO C[NH+](C)[C@H]1CCCN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)C1 ZINC000069473492 541688718 /nfs/dbraw/zinc/68/87/18/541688718.db2.gz WMFYKDANSNCCQG-IRXDYDNUSA-N 1 0 373.476 2.402 20 30 FEEDRO N#Cc1cccc(NC(=O)CC[N@@H+]2CCCC[C@@H]2CN2CCOCC2)c1 ZINC000072631228 541841506 /nfs/dbraw/zinc/84/15/06/541841506.db2.gz XZUWJRHUOJWNQD-LJQANCHMSA-N 1 0 356.470 2.074 20 30 FEEDRO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCC(c2nnc3ccccn32)CC1 ZINC000073644462 541979239 /nfs/dbraw/zinc/97/92/39/541979239.db2.gz KDQOLEZTMOBZKZ-INIZCTEOSA-N 1 0 353.470 2.498 20 30 FEEDRO C[NH+]1CCN(c2ccc(CNC(=O)Nc3cccc(C#N)c3)cn2)CC1 ZINC000075984840 542222447 /nfs/dbraw/zinc/22/24/47/542222447.db2.gz UYEMYQWWXMXTCW-UHFFFAOYSA-N 1 0 350.426 2.027 20 30 FEEDRO N#Cc1ccc(OCC[N@H+]2CCCN(C(=O)c3ccncc3)CC2)cc1 ZINC000076199215 542242840 /nfs/dbraw/zinc/24/28/40/542242840.db2.gz HORIDAPUEFUGCL-UHFFFAOYSA-N 1 0 350.422 2.180 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cccc3c2CN(CCC)C3)CC1 ZINC000076512723 542287584 /nfs/dbraw/zinc/28/75/84/542287584.db2.gz NIOGTIJDXMTVBY-UHFFFAOYSA-N 1 0 370.497 2.117 20 30 FEEDRO C=CCCC[N@@H+](C)[C@@H](C)C(=O)NCc1ccc(CN2CCOCC2)cc1 ZINC000076736343 542319520 /nfs/dbraw/zinc/31/95/20/542319520.db2.gz XHEYWCWPGVAPPA-SFHVURJKSA-N 1 0 359.514 2.422 20 30 FEEDRO CC(=O)NCC1CC[NH+]([C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)CC1 ZINC000076997407 542340315 /nfs/dbraw/zinc/34/03/15/542340315.db2.gz IZQVWKAXOWLQLO-LFDOHDQPSA-N 1 0 362.518 2.154 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)NCC(=O)OCc2ccccc2Cl)CC1 ZINC000076984293 542338834 /nfs/dbraw/zinc/33/88/34/542338834.db2.gz SMQWHPKDUJQOCY-UHFFFAOYSA-N 1 0 365.861 2.333 20 30 FEEDRO N#Cc1ccnc(N2CC[NH+](CCc3nc(-c4ccccc4)no3)CC2)c1 ZINC000077250146 542360060 /nfs/dbraw/zinc/36/00/60/542360060.db2.gz DCVYELXVCOLEPS-UHFFFAOYSA-N 1 0 360.421 2.368 20 30 FEEDRO N#Cc1ccsc1N1CC[C@@H](OC(=O)C2CC[NH+](C3CC3)CC2)C1=O ZINC000801873432 674153590 /nfs/dbraw/zinc/15/35/90/674153590.db2.gz SMHRVZFLWXMBRQ-OAHLLOKOSA-N 1 0 359.451 2.143 20 30 FEEDRO C=CCN(CC=C)C(=O)C[NH+]1CCC(C(=O)Nc2cc(C)ccn2)CC1 ZINC000079883447 542547681 /nfs/dbraw/zinc/54/76/81/542547681.db2.gz ZVJZWXJHRUKFFU-UHFFFAOYSA-N 1 0 356.470 2.241 20 30 FEEDRO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)OC(C)(C)C)C2 ZINC000802010689 674158445 /nfs/dbraw/zinc/15/84/45/674158445.db2.gz HCORGUSACUOARM-DNVCBOLYSA-N 1 0 351.491 2.400 20 30 FEEDRO COC(=O)[C@H](C)[C@H]([NH2+]CC(=O)NC1(C#N)CCCCC1)c1ccccc1 ZINC000079922001 542550463 /nfs/dbraw/zinc/55/04/63/542550463.db2.gz ONVYQIATJVULIR-QAPCUYQASA-N 1 0 357.454 2.469 20 30 FEEDRO C[N@H+](CCCSCC#N)CC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000080722025 542603932 /nfs/dbraw/zinc/60/39/32/542603932.db2.gz QKCIPNIHZVGCQW-UHFFFAOYSA-N 1 0 362.499 2.040 20 30 FEEDRO N#Cc1ccc(N2CCN(C(=O)[C@H]3C[C@@H]4CCCC[N@@H+]4C3)CC2)c(F)c1 ZINC000080621871 542598181 /nfs/dbraw/zinc/59/81/81/542598181.db2.gz UKCXJGMYWXOETL-IRXDYDNUSA-N 1 0 356.445 2.220 20 30 FEEDRO CCOC(=O)N1CCC(NC(=[NH2+])NCCc2ccc(F)cc2C)CC1 ZINC000087001342 542740303 /nfs/dbraw/zinc/74/03/03/542740303.db2.gz VJBUENHSIWDPLQ-UHFFFAOYSA-N 1 0 350.438 2.202 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1ccc([S@@](C)=O)c(F)c1 ZINC000086300456 542735625 /nfs/dbraw/zinc/73/56/25/542735625.db2.gz FHVSJGUXXBJJCW-DEOSSOPVSA-N 1 0 354.451 2.262 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(C3CCCCC3)[nH]n2)c1C#N ZINC000089677977 542768313 /nfs/dbraw/zinc/76/83/13/542768313.db2.gz LUYLIMFSNHMWNP-UHFFFAOYSA-N 1 0 355.446 2.456 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)CCC(=O)c2ccc(OC)cc2)c1C#N ZINC000089677423 542768480 /nfs/dbraw/zinc/76/84/80/542768480.db2.gz OGJWWJDSZOKUBZ-UHFFFAOYSA-N 1 0 369.425 2.044 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2)c1C#N ZINC000089663032 542768533 /nfs/dbraw/zinc/76/85/33/542768533.db2.gz SUJKETCMBHZFTI-NSHDSACASA-N 1 0 361.833 2.493 20 30 FEEDRO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCCc3ccccc3C2)CC1 ZINC000091558900 542812654 /nfs/dbraw/zinc/81/26/54/542812654.db2.gz GJIFJYXRKUXMFM-FQEVSTJZSA-N 1 0 354.498 2.127 20 30 FEEDRO COc1cccc([C@@H](C)N2CC[NH+](CCC(=O)N(C)CCC#N)CC2)c1 ZINC000092796132 542887408 /nfs/dbraw/zinc/88/74/08/542887408.db2.gz RISGTPPQNHRDCK-QGZVFWFLSA-N 1 0 358.486 2.136 20 30 FEEDRO C[NH+](C)Cc1ccc(CNS(=O)(=O)c2c(F)cc(C#N)cc2F)cc1 ZINC000092980640 542899734 /nfs/dbraw/zinc/89/97/34/542899734.db2.gz GDMLTTVBLUPGBR-UHFFFAOYSA-N 1 0 365.405 2.377 20 30 FEEDRO C=CCNC(=O)NC(=O)C[NH2+][C@@H](C)c1ccc(OC)c(Br)c1 ZINC000102697633 543078176 /nfs/dbraw/zinc/07/81/76/543078176.db2.gz ROUUBMLFXFQCLD-JTQLQIEISA-N 1 0 370.247 2.120 20 30 FEEDRO N#CCCN(C(=O)CCC(=O)NC1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000102821330 543082177 /nfs/dbraw/zinc/08/21/77/543082177.db2.gz SIBPOJAVBTUZBV-UHFFFAOYSA-N 1 0 368.481 2.456 20 30 FEEDRO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000104074972 543121891 /nfs/dbraw/zinc/12/18/91/543121891.db2.gz UPLRABOLOGAYLU-RYUDHWBXSA-N 1 0 360.483 2.023 20 30 FEEDRO COc1ccc(CNC(=[NH2+])NCc2ccnc(N3CCCC3)c2)cc1OC ZINC000104160119 543125537 /nfs/dbraw/zinc/12/55/37/543125537.db2.gz BDAUQQADIWJJJV-UHFFFAOYSA-N 1 0 369.469 2.304 20 30 FEEDRO COc1ccc(-n2ccc(C(=O)N(CCC#N)CCC[NH+](C)C)n2)cc1 ZINC000104327152 543128413 /nfs/dbraw/zinc/12/84/13/543128413.db2.gz KXTRAOWMQWXTBM-UHFFFAOYSA-N 1 0 355.442 2.188 20 30 FEEDRO CNC(=O)[C@H]1CCCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000104671798 543136624 /nfs/dbraw/zinc/13/66/24/543136624.db2.gz ZRMPNYUKHTULJE-OAHLLOKOSA-N 1 0 374.510 2.428 20 30 FEEDRO C[C@H](O)[C@H]1CCCC[N@@H+]1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000106863801 543250545 /nfs/dbraw/zinc/25/05/45/543250545.db2.gz JSQAAWPYZMOLIR-WMLDXEAASA-N 1 0 368.399 2.408 20 30 FEEDRO N#CCSCC(=O)NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000107265713 543264378 /nfs/dbraw/zinc/26/43/78/543264378.db2.gz BIQPCUDAXDSNQI-UHFFFAOYSA-N 1 0 366.918 2.225 20 30 FEEDRO N#Cc1cc(NC(=O)C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)ccc1F ZINC000107874172 543280305 /nfs/dbraw/zinc/28/03/05/543280305.db2.gz RHGDIISEDJUVAF-MRXNPFEDSA-N 1 0 358.417 2.113 20 30 FEEDRO CC[NH+](CC)CCOc1ccc(CNC(=O)C2(C#N)CCOCC2)cc1 ZINC000109140004 543315651 /nfs/dbraw/zinc/31/56/51/543315651.db2.gz ICEGFLKSCBORHX-UHFFFAOYSA-N 1 0 359.470 2.344 20 30 FEEDRO C[N@@H+]1CCCC[C@@H]1CN1CCN(CCCOc2ccc(C#N)cc2)CC1 ZINC000109755996 543337639 /nfs/dbraw/zinc/33/76/39/543337639.db2.gz YXEHQOVWUNBNEI-HXUWFJFHSA-N 1 0 356.514 2.429 20 30 FEEDRO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)Cc2ccc(OCC#N)cc2)C[C@H](C)O1 ZINC000110188975 543351043 /nfs/dbraw/zinc/35/10/43/543351043.db2.gz DBSIHJLSARNFRC-IYBDPMFKSA-N 1 0 359.470 2.135 20 30 FEEDRO CCCC(=O)NC[C@H]1CCC[N@H+](CC(=O)N(C)C2(C#N)CCCCC2)C1 ZINC000110274316 543354372 /nfs/dbraw/zinc/35/43/72/543354372.db2.gz HYAQCIGLJGOVLZ-QGZVFWFLSA-N 1 0 362.518 2.300 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH2+][C@H]1CCc2nc(C)nn2C1 ZINC000112549186 543451176 /nfs/dbraw/zinc/45/11/76/543451176.db2.gz QHZLXOHMVGCEMQ-HIFRSBDPSA-N 1 0 359.499 2.156 20 30 FEEDRO N#CCCN(CCC#N)C(=O)C[NH+]1CCC(COc2ccccc2)CC1 ZINC000112698242 543457298 /nfs/dbraw/zinc/45/72/98/543457298.db2.gz TUFLBIWNZNNKFN-UHFFFAOYSA-N 1 0 354.454 2.433 20 30 FEEDRO N#Cc1ccc([C@@H]([NH2+][C@H]2CCN(c3ccc(F)cc3F)C2)C(N)=O)cc1 ZINC000115599729 543577524 /nfs/dbraw/zinc/57/75/24/543577524.db2.gz IOZJVFRDYUVCAQ-MAUKXSAKSA-N 1 0 356.376 2.231 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H](C)c2nnnn2-c2ccccc2)CC1 ZINC000115678878 543581181 /nfs/dbraw/zinc/58/11/81/543581181.db2.gz GOWMSESGPSFWIK-OAHLLOKOSA-N 1 0 369.473 2.063 20 30 FEEDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)NCc2cccc(C#N)c2)[C@H](C)C1 ZINC000115702182 543581903 /nfs/dbraw/zinc/58/19/03/543581903.db2.gz PJDHTXYVLAUOQL-APWZRJJASA-N 1 0 358.486 2.494 20 30 FEEDRO C=CCN(C)[C@@H](C)C(=O)Nc1ccc(C)c(S(=O)(=O)N(CC)CC)c1 ZINC000121253158 543691378 /nfs/dbraw/zinc/69/13/78/543691378.db2.gz GKBVLMJWBRVWRL-HNNXBMFYSA-N 1 0 367.515 2.470 20 30 FEEDRO C=CCOc1cccc(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](CC)C[C@H]2C)c1 ZINC000119715657 543671135 /nfs/dbraw/zinc/67/11/35/543671135.db2.gz OGNBQLOLHXHUDD-QAPCUYQASA-N 1 0 359.470 2.379 20 30 FEEDRO Cc1ccc2cccc(NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C)c2n1 ZINC000122095245 543703304 /nfs/dbraw/zinc/70/33/04/543703304.db2.gz SXSHXFOBDCMJLH-UHFFFAOYSA-N 1 0 367.453 2.176 20 30 FEEDRO C[NH+](C)CCN(C1CCCC1)S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000124407783 543819607 /nfs/dbraw/zinc/81/96/07/543819607.db2.gz FUCAXNLPVUOUII-UHFFFAOYSA-N 1 0 357.426 2.331 20 30 FEEDRO CCn1cc(NC(=O)C2CC[NH+](C[C@@H](O)c3ccc(C#N)cc3)CC2)cn1 ZINC000124449854 543822832 /nfs/dbraw/zinc/82/28/32/543822832.db2.gz KEXFAMFAHJBZGO-LJQANCHMSA-N 1 0 367.453 2.159 20 30 FEEDRO CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](CC(=O)NC2(C#N)CCCCC2)C1 ZINC000124009776 543796176 /nfs/dbraw/zinc/79/61/76/543796176.db2.gz VJHCNVURKLUWMS-IAGOWNOFSA-N 1 0 362.518 2.346 20 30 FEEDRO CCCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](CC(=O)NC2(C#N)CCCCC2)C1 ZINC000124009938 543796236 /nfs/dbraw/zinc/79/62/36/543796236.db2.gz VJHCNVURKLUWMS-SJORKVTESA-N 1 0 362.518 2.346 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)Nc1c(C)noc1CC)C(C)C ZINC000124921665 543851138 /nfs/dbraw/zinc/85/11/38/543851138.db2.gz MUXDSXLUWUMXTF-OAHLLOKOSA-N 1 0 362.474 2.299 20 30 FEEDRO CC[NH+]=C(NCc1ccc(S(C)(=O)=O)cc1)N1CCSC(C)(C)C1 ZINC000124858996 543847072 /nfs/dbraw/zinc/84/70/72/543847072.db2.gz AJDNMSMHWSGKKD-UHFFFAOYSA-N 1 0 369.556 2.383 20 30 FEEDRO N#Cc1ccc([C@H](O)C[NH2+][C@H](CN2CCOCC2)c2ccccc2)cc1 ZINC000126904997 543963160 /nfs/dbraw/zinc/96/31/60/543963160.db2.gz VVJAKWFIZCRQLC-NHCUHLMSSA-N 1 0 351.450 2.255 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H]2CCCC[C@H]2n2cccn2)cc1 ZINC000127735800 544010900 /nfs/dbraw/zinc/01/09/00/544010900.db2.gz ICVQUAIKXCOQDG-QZTJIDSGSA-N 1 0 358.467 2.302 20 30 FEEDRO C[C@H]1C[NH+](CCCCNC(=O)c2c(F)cc(C#N)cc2F)C[C@H](C)O1 ZINC000132284167 544225683 /nfs/dbraw/zinc/22/56/83/544225683.db2.gz AHJUHEDMWRIADF-STQMWFEESA-N 1 0 351.397 2.456 20 30 FEEDRO N#CCCN(CCC#N)C(=O)C[N@H+]1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 ZINC000134791810 544321439 /nfs/dbraw/zinc/32/14/39/544321439.db2.gz QEPMONXCCHGHOW-OALUTQOASA-N 1 0 372.444 2.370 20 30 FEEDRO CC#CCNC(=O)NCc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1 ZINC000136031541 544365707 /nfs/dbraw/zinc/36/57/07/544365707.db2.gz BFJCKHKUOCRRFG-UHFFFAOYSA-N 1 0 368.403 2.280 20 30 FEEDRO C=CCOc1cccc(NC(=O)C(=O)NCCCNc2ccccn2)c1 ZINC000144845504 544430897 /nfs/dbraw/zinc/43/08/97/544430897.db2.gz LWRCLYDCYMZHSE-UHFFFAOYSA-N 1 0 354.410 2.203 20 30 FEEDRO N#Cc1ccccc1OC[C@H](O)C[NH2+]CCCn1cnc2ccccc21 ZINC000145611666 544434968 /nfs/dbraw/zinc/43/49/68/544434968.db2.gz IZXYZMIKLVOXEJ-QGZVFWFLSA-N 1 0 350.422 2.328 20 30 FEEDRO C[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccccc2SCCC#N)C[N@@H+]1C1CC1 ZINC000151866841 544590447 /nfs/dbraw/zinc/59/04/47/544590447.db2.gz WSKNANWDTFBUAX-KGLIPLIRSA-N 1 0 372.494 2.372 20 30 FEEDRO Cc1ccc(S(=O)(=O)NCCN(C)CC#Cc2ccc(F)cc2)cc1 ZINC000154143342 544869955 /nfs/dbraw/zinc/86/99/55/544869955.db2.gz CXCFDFNDWNPRNZ-UHFFFAOYSA-N 1 0 360.454 2.396 20 30 FEEDRO N#Cc1ccc(CN2CCC[N@@H+](CCCNC(=O)C(F)(F)F)CC2)cc1 ZINC000154241466 544880214 /nfs/dbraw/zinc/88/02/14/544880214.db2.gz BRDNAIVPUKYWSO-UHFFFAOYSA-N 1 0 368.403 2.135 20 30 FEEDRO COc1cc(CN(CCC#N)CCN2CCOCC2)ccc1OC(F)F ZINC000154580082 544923857 /nfs/dbraw/zinc/92/38/57/544923857.db2.gz RYAMEKFJHATIFC-UHFFFAOYSA-N 1 0 369.412 2.344 20 30 FEEDRO CNC(=O)CCC[N@H+](C)[C@@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000154852956 544957216 /nfs/dbraw/zinc/95/72/16/544957216.db2.gz XDSDXYKJEBPFLD-KRWDZBQOSA-N 1 0 358.486 2.397 20 30 FEEDRO CC[C@H]([NH2+]CCOc1cccc(C#N)c1)c1cccc(S(N)(=O)=O)c1 ZINC000183031566 327798192 /nfs/dbraw/zinc/79/81/92/327798192.db2.gz WPSFXCOGEVPTFV-SFHVURJKSA-N 1 0 359.451 2.325 20 30 FEEDRO CC[NH+](CC)[C@H]1CCN(C(=O)Nc2cnn(-c3ncccc3C#N)c2)C1 ZINC000184580762 327873946 /nfs/dbraw/zinc/87/39/46/327873946.db2.gz XJGWJJNJLNSTFB-INIZCTEOSA-N 1 0 353.430 2.087 20 30 FEEDRO CC[NH+]1CCC(CCNC(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1 ZINC000184599718 327874944 /nfs/dbraw/zinc/87/49/44/327874944.db2.gz BBJBTIVJEHLFGH-UHFFFAOYSA-N 1 0 367.457 2.382 20 30 FEEDRO C[C@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)[C@@H]1COc2ccccc21 ZINC000185592121 327923967 /nfs/dbraw/zinc/92/39/67/327923967.db2.gz RDODVBHWPNFSCT-KSSFIOAISA-N 1 0 356.447 2.486 20 30 FEEDRO COC(=O)COc1ccc([C@H](C)[NH2+]C[C@@H](O)c2ccc(C#N)cc2)cc1 ZINC000185671579 327927202 /nfs/dbraw/zinc/92/72/02/327927202.db2.gz GNBBIMKFOVFWPJ-IFXJQAMLSA-N 1 0 354.406 2.494 20 30 FEEDRO Cc1ccc(NC(=O)c2cc(C#N)cn2C)cc1NC(=O)CC[NH+](C)C ZINC000186230754 327952960 /nfs/dbraw/zinc/95/29/60/327952960.db2.gz IOWNRUCOSIYNTA-UHFFFAOYSA-N 1 0 353.426 2.348 20 30 FEEDRO CCOC(=O)C[C@](C)([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)C(C)C ZINC000186689463 327976376 /nfs/dbraw/zinc/97/63/76/327976376.db2.gz ICCVYEDNCCPJSS-SFHVURJKSA-N 1 0 366.483 2.289 20 30 FEEDRO CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)c1sccc1C#N ZINC000188150932 328069542 /nfs/dbraw/zinc/06/95/42/328069542.db2.gz LOGQVZIGYSUAOH-LJQANCHMSA-N 1 0 355.463 2.329 20 30 FEEDRO Cc1nc(C#N)c(N2CCC(C(=O)NCC[N@H+]3CCCC[C@H]3C)CC2)o1 ZINC000189107745 328129030 /nfs/dbraw/zinc/12/90/30/328129030.db2.gz SDNCPOCDUIGPDV-CQSZACIVSA-N 1 0 359.474 2.062 20 30 FEEDRO Cc1nc(C#N)c(N2CCC(C(=O)N[C@@H](C)C[N@@H+]3CCC[C@H](C)C3)CC2)o1 ZINC000189219741 328135573 /nfs/dbraw/zinc/13/55/73/328135573.db2.gz PHMBWMQRTNROTR-GJZGRUSLSA-N 1 0 373.501 2.308 20 30 FEEDRO CCc1nc(C2CCN([C@@H]3CCN(c4sccc4C#N)C3=O)CC2)n[nH]1 ZINC000190667831 328223557 /nfs/dbraw/zinc/22/35/57/328223557.db2.gz JSGFBGFTBJYVDU-CQSZACIVSA-N 1 0 370.482 2.285 20 30 FEEDRO Cn1cc(CNc2cccc(C[NH+]3CCC(C(N)=O)CC3)c2)cc1C#N ZINC000190828032 328234527 /nfs/dbraw/zinc/23/45/27/328234527.db2.gz VGUSLQJNCGQKHA-UHFFFAOYSA-N 1 0 351.454 2.206 20 30 FEEDRO Cn1cc(C[NH2+]Cc2cccc(C(=O)NC[C@H]3CCCO3)c2)cc1C#N ZINC000190873276 328237509 /nfs/dbraw/zinc/23/75/09/328237509.db2.gz HHBRVUMAIPVXME-LJQANCHMSA-N 1 0 352.438 2.095 20 30 FEEDRO CC(C)C[C@@]1(CO)CCC[N@@H+]1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000191667853 328276469 /nfs/dbraw/zinc/27/64/69/328276469.db2.gz QOXZOPLQNBILIT-GOSISDBHSA-N 1 0 350.484 2.205 20 30 FEEDRO CCOCC[NH+]1CCN(Cc2cc(C#N)ccc2Br)CC1 ZINC000191784812 328281577 /nfs/dbraw/zinc/28/15/77/328281577.db2.gz UCYMNIVFJLTMMH-UHFFFAOYSA-N 1 0 352.276 2.475 20 30 FEEDRO N#Cc1ccc(Br)c(CN2CC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000191794917 328282248 /nfs/dbraw/zinc/28/22/48/328282248.db2.gz SRAVVGHJQYQLCC-HNNXBMFYSA-N 1 0 364.287 2.475 20 30 FEEDRO N#Cc1ccc(CN2CC[C@H]([NH2+]Cc3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000192241857 328308744 /nfs/dbraw/zinc/30/87/44/328308744.db2.gz DKLCETDENOWPTL-SFHVURJKSA-N 1 0 350.378 2.357 20 30 FEEDRO COc1ccc(C[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1C#N ZINC000192241965 328308805 /nfs/dbraw/zinc/30/88/05/328308805.db2.gz OJYFMHIBZZGOET-LJQANCHMSA-N 1 0 360.417 2.329 20 30 FEEDRO C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)c3ccnc(C#N)c3)cc2)C[C@H](C)O1 ZINC000192651405 328330947 /nfs/dbraw/zinc/33/09/47/328330947.db2.gz ODRKMROSIRIERN-IYBDPMFKSA-N 1 0 364.449 2.492 20 30 FEEDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)C1 ZINC000193055175 328354556 /nfs/dbraw/zinc/35/45/56/328354556.db2.gz OAGSVUHNYYFJHX-HNNXBMFYSA-N 1 0 373.501 2.244 20 30 FEEDRO CCCC[NH+]1CCC(NC(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)CC1 ZINC000193005679 328351591 /nfs/dbraw/zinc/35/15/91/328351591.db2.gz TXDQCLDEZMQDJG-UHFFFAOYSA-N 1 0 373.501 2.434 20 30 FEEDRO N#Cc1ccc(OC[C@@H](O)C[NH+]2CCC(C(=O)N3CCCCC3)CC2)cc1 ZINC000053399222 324739563 /nfs/dbraw/zinc/73/95/63/324739563.db2.gz SWYKZTOCCKZOIT-IBGZPJMESA-N 1 0 371.481 2.022 20 30 FEEDRO Cc1ccc(C#N)cc1NC(=O)C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000057672930 324829800 /nfs/dbraw/zinc/82/98/00/324829800.db2.gz FOFDQEVNSWSIOW-UHFFFAOYSA-N 1 0 354.454 2.140 20 30 FEEDRO N#Cc1ccc(OC[C@H](O)C[NH+]2CCC(CC(=O)N3CCCC3)CC2)cc1 ZINC000061049197 324854753 /nfs/dbraw/zinc/85/47/53/324854753.db2.gz CNNQAXASXYFRBR-LJQANCHMSA-N 1 0 371.481 2.022 20 30 FEEDRO COC(=O)[C@H](C)[C@@H]([NH2+]C[C@H](O)COc1ccc(C#N)cc1)c1ccccc1 ZINC000079923247 325110328 /nfs/dbraw/zinc/11/03/28/325110328.db2.gz XQAQYLZROCISLW-MOXGXCLJSA-N 1 0 368.433 2.438 20 30 FEEDRO C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)c3cc(C#N)cn3C)cc2)C[C@H](C)O1 ZINC000081664294 325192243 /nfs/dbraw/zinc/19/22/43/325192243.db2.gz XFCNIBGGBBZERT-IYBDPMFKSA-N 1 0 366.465 2.436 20 30 FEEDRO C[C@@H](CNS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1)[N@H+](C)C1CC1 ZINC000083537862 325218955 /nfs/dbraw/zinc/21/89/55/325218955.db2.gz RQEIVSJHVBKSLL-JTQLQIEISA-N 1 0 361.389 2.338 20 30 FEEDRO C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[N@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000089942673 325343633 /nfs/dbraw/zinc/34/36/33/325343633.db2.gz CTHJGJOICSDAJI-ZDUSSCGKSA-N 1 0 372.448 2.087 20 30 FEEDRO C[NH+](C)[C@@H]1CC[C@H](NC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)C1 ZINC000091763370 325392728 /nfs/dbraw/zinc/39/27/28/325392728.db2.gz DNXWPTYUGWVOGU-JKSUJKDBSA-N 1 0 359.449 2.012 20 30 FEEDRO C[C@H]([NH2+]C(C)(C)CNS(=O)(=O)c1ccc(C#N)nc1)c1ccccc1 ZINC000109342999 325665632 /nfs/dbraw/zinc/66/56/32/325665632.db2.gz WKCDQTLFYPMJRH-AWEZNQCLSA-N 1 0 358.467 2.361 20 30 FEEDRO CCC[NH+]1CCC(N2CCN(CCOc3cccc(C#N)c3)CC2)CC1 ZINC000112358089 325775136 /nfs/dbraw/zinc/77/51/36/325775136.db2.gz DCXJADRBPDATQC-UHFFFAOYSA-N 1 0 356.514 2.429 20 30 FEEDRO C[NH+](C)[C@H]1CCCN(S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)C1 ZINC000116347495 326008548 /nfs/dbraw/zinc/00/85/48/326008548.db2.gz RWIXRQABTJPGTA-LBPRGKRZSA-N 1 0 361.389 2.292 20 30 FEEDRO CC[N@H+](C)CCNC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000118108645 326082319 /nfs/dbraw/zinc/08/23/19/326082319.db2.gz KEAQFPHXRNBDDG-UHFFFAOYSA-N 1 0 366.421 2.357 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)CCC(=O)NC1CCCC1 ZINC000120317260 326249265 /nfs/dbraw/zinc/24/92/65/326249265.db2.gz RPNFZVYORISNAO-UHFFFAOYSA-N 1 0 370.497 2.287 20 30 FEEDRO N#Cc1cc(NC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)ccc1F ZINC000120566680 326268835 /nfs/dbraw/zinc/26/88/35/326268835.db2.gz URLWNHVPRLVNOA-MRXNPFEDSA-N 1 0 358.417 2.113 20 30 FEEDRO Cc1cc(NC(=O)C2CC[NH+](C[C@H](O)c3ccc(C#N)cc3)CC2)no1 ZINC000121955626 326378028 /nfs/dbraw/zinc/37/80/28/326378028.db2.gz ZYBCSQBNMFZOTP-KRWDZBQOSA-N 1 0 354.410 2.239 20 30 FEEDRO CC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000162197926 327019661 /nfs/dbraw/zinc/01/96/61/327019661.db2.gz GTLOQSWFVWZSDY-ZDUSSCGKSA-N 1 0 372.288 2.083 20 30 FEEDRO C[NH+](C)CCCC1CCN(S(=O)(=O)c2ccc(F)c(C#N)c2)CC1 ZINC000166293880 327081127 /nfs/dbraw/zinc/08/11/27/327081127.db2.gz XZTCPROJOUFMBG-UHFFFAOYSA-N 1 0 353.463 2.440 20 30 FEEDRO CC[NH+](CC)Cc1ccccc1CNS(=O)(=O)c1ccc(C#N)nc1 ZINC000170657130 327091595 /nfs/dbraw/zinc/09/15/95/327091595.db2.gz QQCMWQMCBCIJAQ-UHFFFAOYSA-N 1 0 358.467 2.274 20 30 FEEDRO CC[NH+]1CCN([C@H]2CCN(C(=O)Nc3cc(C#N)cn3C(C)(C)C)C2)CC1 ZINC000171682997 327154993 /nfs/dbraw/zinc/15/49/93/327154993.db2.gz KHPYXYUSGYHMGT-KRWDZBQOSA-N 1 0 372.517 2.358 20 30 FEEDRO CC(C)[NH+]1CCC(C(=O)N2CCN(c3cccc(F)c3C#N)CC2)CC1 ZINC000174605678 327337990 /nfs/dbraw/zinc/33/79/90/327337990.db2.gz GNWBOKRZKBZDAH-UHFFFAOYSA-N 1 0 358.461 2.466 20 30 FEEDRO Cc1cccc(NC(=O)C(=O)NC[C@H](C)[N@H+](C)Cc2ccccc2)c1C#N ZINC000174856492 327355288 /nfs/dbraw/zinc/35/52/88/327355288.db2.gz KMQWPUZFBKSXMO-INIZCTEOSA-N 1 0 364.449 2.442 20 30 FEEDRO Cc1cccc(NC(=O)C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)c1C#N ZINC000174851583 327355451 /nfs/dbraw/zinc/35/54/51/327355451.db2.gz MIAVXNIQCJSPKZ-MRXNPFEDSA-N 1 0 354.454 2.282 20 30 FEEDRO N#Cc1c[nH]c(C(=O)NCCCC[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000175358875 327388978 /nfs/dbraw/zinc/38/89/78/327388978.db2.gz ATWJSKAURLABBL-UHFFFAOYSA-N 1 0 351.454 2.219 20 30 FEEDRO N#Cc1cc(S(=O)(=O)NCC[C@@H]2CCC[NH2+]C2)ccc1C(F)(F)F ZINC000262117235 328843411 /nfs/dbraw/zinc/84/34/11/328843411.db2.gz VFIGCEJSSOLZDJ-NSHDSACASA-N 1 0 361.389 2.245 20 30 FEEDRO CC[NH+]1CCN([C@@H]2CCN(C(=O)N[C@@H](C)c3ccc(C#N)cc3)C2)CC1 ZINC000264370369 329015329 /nfs/dbraw/zinc/01/53/29/329015329.db2.gz GKODIRJTFYIGBB-QFBILLFUSA-N 1 0 355.486 2.041 20 30 FEEDRO COc1cc(C#N)ccc1OCCCC(=O)N1CC[NH+](C2CCC2)CC1 ZINC000265025659 329084098 /nfs/dbraw/zinc/08/40/98/329084098.db2.gz WRIQADVKKNNTEE-UHFFFAOYSA-N 1 0 357.454 2.423 20 30 FEEDRO COCCC[N@H+](C)CCNC(=O)NCCSCc1ccccc1C#N ZINC000266453359 329224551 /nfs/dbraw/zinc/22/45/51/329224551.db2.gz CRCABDCJRLUIAH-UHFFFAOYSA-N 1 0 364.515 2.059 20 30 FEEDRO CCc1nnc(Sc2nnc([C@@H]3CCC[NH2+]C3)n2C)c(C#N)c1CC ZINC000268192767 329395294 /nfs/dbraw/zinc/39/52/94/329395294.db2.gz MZORWKZRVYUVHN-LLVKDONJSA-N 1 0 357.487 2.220 20 30 FEEDRO CN(Cc1ccc(C#N)cc1)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000269326814 329508130 /nfs/dbraw/zinc/50/81/30/329508130.db2.gz NDCZVGAVEYAOHG-MOPGFXCFSA-N 1 0 356.470 2.077 20 30 FEEDRO C[NH+](C)[C@H]1CCN(c2ccc(NC(=O)COc3ccccc3C#N)nc2)C1 ZINC000269455514 329521836 /nfs/dbraw/zinc/52/18/36/329521836.db2.gz UZGLGJREDGGKQI-KRWDZBQOSA-N 1 0 365.437 2.111 20 30 FEEDRO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)c2ccc(C#N)[nH]2)cc1 ZINC000269685905 329540078 /nfs/dbraw/zinc/54/00/78/329540078.db2.gz HMTRMFAORQTOQR-UHFFFAOYSA-N 1 0 353.426 2.210 20 30 FEEDRO CN(C(=O)C(=O)Nc1ccc(C#N)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000275626814 330071953 /nfs/dbraw/zinc/07/19/53/330071953.db2.gz IUJJQFFWAYSKCN-LJQANCHMSA-N 1 0 362.433 2.230 20 30 FEEDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)Nc2ccc(C#N)cc2Cl)C1 ZINC000275888816 330100252 /nfs/dbraw/zinc/10/02/52/330100252.db2.gz FJQHPLKPGPCPDH-CZUORRHYSA-N 1 0 360.845 2.093 20 30 FEEDRO COCC[N@@H+]1CCCN(c2c(C#N)cnc3c(OC)cc(OC)cc32)CC1 ZINC000286419261 330183367 /nfs/dbraw/zinc/18/33/67/330183367.db2.gz PCJVSGZNCDGKNN-UHFFFAOYSA-N 1 0 370.453 2.282 20 30 FEEDRO CC(C)[C@@H]1CCc2c(C#N)c(NC(=O)C(=O)N3C[C@@H](C)[C@H]([NH3+])C3)sc2C1 ZINC000331784256 330200963 /nfs/dbraw/zinc/20/09/63/330200963.db2.gz IHWZFIRBDBZIQH-LALPHHSUSA-N 1 0 374.510 2.125 20 30 FEEDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000367265178 330238026 /nfs/dbraw/zinc/23/80/26/330238026.db2.gz SYKRWFNQEGCZQN-WFASDCNBSA-N 1 0 360.845 2.235 20 30 FEEDRO C=CCS(=O)(=O)CC[NH2+]Cc1cc(Br)c(OC)s1 ZINC000272810024 550471603 /nfs/dbraw/zinc/47/16/03/550471603.db2.gz GWASVJRCHKJRGE-UHFFFAOYSA-N 1 0 354.291 2.210 20 30 FEEDRO C=CCc1ccccc1OC[C@@H](O)C[NH+]1CCC(Cn2ccnn2)CC1 ZINC000155756140 545565665 /nfs/dbraw/zinc/56/56/65/545565665.db2.gz ZHJRGVQCMHKHDP-IBGZPJMESA-N 1 0 356.470 2.159 20 30 FEEDRO CC[S@@](=O)[C@H]1CCC[C@H](NC(NCc2cccc3c2OCO3)=[NH+]C)C1 ZINC000155928605 545584843 /nfs/dbraw/zinc/58/48/43/545584843.db2.gz MAFPQGBQZGVWAD-XHQUFGICSA-N 1 0 365.499 2.160 20 30 FEEDRO C=CCNc1ncc(C(=O)NCc2ccnc(OCC[NH+](C)C)c2)s1 ZINC000155998718 545591087 /nfs/dbraw/zinc/59/10/87/545591087.db2.gz QQITWPRGHKZWLB-UHFFFAOYSA-N 1 0 361.471 2.006 20 30 FEEDRO N#Cc1cccc(S(=O)(=O)CCN2CCC([NH2+]C3CCCC3)CC2)c1 ZINC000156903428 545675357 /nfs/dbraw/zinc/67/53/57/545675357.db2.gz MJSPFTBRKDOBSB-UHFFFAOYSA-N 1 0 361.511 2.329 20 30 FEEDRO C[C@H]1CC(C)(C)C[C@@](CO)([NH2+]CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000156909826 545676883 /nfs/dbraw/zinc/67/68/83/545676883.db2.gz BRAGIEYZUVNYKX-KXBFYZLASA-N 1 0 364.511 2.499 20 30 FEEDRO N#Cc1cc(F)ccc1S(=O)(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000157145981 545705913 /nfs/dbraw/zinc/70/59/13/545705913.db2.gz CVMPNXVZGMZJJM-MRXNPFEDSA-N 1 0 351.447 2.336 20 30 FEEDRO CN(CC[NH+]1CCCC1)S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000157198840 545711694 /nfs/dbraw/zinc/71/16/94/545711694.db2.gz TXVOOQCEXWQABL-UHFFFAOYSA-N 1 0 361.389 2.293 20 30 FEEDRO C[C@@H](NC(=O)c1ccc(COc2ccccc2C#N)o1)[C@@H]1CN(C)CCO1 ZINC000157513203 545749896 /nfs/dbraw/zinc/74/98/96/545749896.db2.gz QBQXFPIDMNOZBM-KUHUBIRLSA-N 1 0 369.421 2.179 20 30 FEEDRO C[C@H](NC(=O)c1ccc(COc2ccccc2C#N)o1)[C@@H]1CN(C)CCO1 ZINC000157513065 545750604 /nfs/dbraw/zinc/75/06/04/545750604.db2.gz QBQXFPIDMNOZBM-LIRRHRJNSA-N 1 0 369.421 2.179 20 30 FEEDRO CCOCCO[C@H]1CC[N@@H+]([C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1 ZINC000157674293 545767728 /nfs/dbraw/zinc/76/77/28/545767728.db2.gz AXNZMKYGXYDRTL-NRGCRIOASA-N 1 0 365.518 2.433 20 30 FEEDRO C[C@H]1CCC[C@](CNC(=O)C(=O)N(C)Cc2ccc(C#N)cc2)([NH+](C)C)C1 ZINC000477963365 561157168 /nfs/dbraw/zinc/15/71/68/561157168.db2.gz NJDLBANECIUVPG-KKSFZXQISA-N 1 0 370.497 2.143 20 30 FEEDRO C=CCNC(=O)NC(=O)[C@H](C)[N@H+](CC)CC1CCN(c2ccccn2)CC1 ZINC000160043855 546003315 /nfs/dbraw/zinc/00/33/15/546003315.db2.gz PZAJYZPLBYNNDX-INIZCTEOSA-N 1 0 373.501 2.020 20 30 FEEDRO CC(C)Oc1ccc(NC(=O)C(=O)NCCC2CC[NH+](C)CC2)cc1C#N ZINC000161295733 546118178 /nfs/dbraw/zinc/11/81/78/546118178.db2.gz BWSLSLISUYKZEC-UHFFFAOYSA-N 1 0 372.469 2.132 20 30 FEEDRO CCOCCC[NH+]=C(NCc1ccnn1C)NCc1ccc(OC)cc1 ZINC000161469426 546131486 /nfs/dbraw/zinc/13/14/86/546131486.db2.gz FSCJGXBMNLNNJO-UHFFFAOYSA-N 1 0 359.474 2.091 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)CCc1cc2ccccc2[nH]c1=O ZINC000162770242 546141723 /nfs/dbraw/zinc/14/17/23/546141723.db2.gz QPAXWDCZLJFPTK-UHFFFAOYSA-N 1 0 354.454 2.155 20 30 FEEDRO C[C@@H]1CN(C(=O)c2ccc(CNC(=[NH2+])Nc3ccccn3)cc2)C[C@H](C)O1 ZINC000170911038 546181289 /nfs/dbraw/zinc/18/12/89/546181289.db2.gz PQTCDEUEIHZPOQ-GASCZTMLSA-N 1 0 367.453 2.258 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)NCc2ccnc(OCC(F)(F)F)c2)CC1 ZINC000171709912 546219519 /nfs/dbraw/zinc/21/95/19/546219519.db2.gz PGTLASJBLLPTRW-UHFFFAOYSA-N 1 0 372.391 2.472 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)NCc2cnn(Cc3ccccc3)c2)CC1 ZINC000171714170 546220283 /nfs/dbraw/zinc/22/02/83/546220283.db2.gz GCGFFKAMBPDOLY-UHFFFAOYSA-N 1 0 353.470 2.381 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)CCCOc2ccc3c(c2)CCC(=O)N3)CC1 ZINC000171719736 546220795 /nfs/dbraw/zinc/22/07/95/546220795.db2.gz KDEZCGCNZLIWDU-UHFFFAOYSA-N 1 0 371.481 2.497 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)c2ccccc2OCc2noc(C)n2)CC1 ZINC000171720961 546221846 /nfs/dbraw/zinc/22/18/46/546221846.db2.gz XILGNZWNQGGJTC-UHFFFAOYSA-N 1 0 356.426 2.337 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N2CCC[C@@H](c3nnc4ccccn43)C2)CC1 ZINC000171737458 546222825 /nfs/dbraw/zinc/22/28/25/546222825.db2.gz KFBWQPVARWUOLT-MRXNPFEDSA-N 1 0 368.485 2.269 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N2CCC[C@H](C(=O)N[C@H](C)CCC)C2)CC1 ZINC000171738604 546223541 /nfs/dbraw/zinc/22/35/41/546223541.db2.gz SPGYUDNQXMWGJU-SJORKVTESA-N 1 0 364.534 2.363 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cc(F)ccc2OC(C)C)CC1 ZINC000173272495 546277151 /nfs/dbraw/zinc/27/71/51/546277151.db2.gz BOYAWTNYHGLQEP-UHFFFAOYSA-N 1 0 363.433 2.318 20 30 FEEDRO N#CCSCCC[N@H+]1CCC[C@@H](NS(=O)(=O)c2cccc(F)c2)C1 ZINC000174137362 546292441 /nfs/dbraw/zinc/29/24/41/546292441.db2.gz RYEDZRDHHPPLDO-OAHLLOKOSA-N 1 0 371.503 2.215 20 30 FEEDRO Cc1noc(C)c1S(=O)(=O)N1CCC[N@H+](CCCC(C)(C)C#N)CC1 ZINC000174813322 546303887 /nfs/dbraw/zinc/30/38/87/546303887.db2.gz AKTGHCCZAJTDQX-UHFFFAOYSA-N 1 0 368.503 2.318 20 30 FEEDRO CC(C)(C#N)CCC[NH+]1CCN(Cc2cc(=O)n3ccsc3n2)CC1 ZINC000174812782 546303969 /nfs/dbraw/zinc/30/39/69/546303969.db2.gz GBMHGGUNYABGKQ-UHFFFAOYSA-N 1 0 359.499 2.204 20 30 FEEDRO COc1ccc(C(=O)NCCN2CC[NH+](CCCC(C)(C)C#N)CC2)cc1 ZINC000174854794 546304622 /nfs/dbraw/zinc/30/46/22/546304622.db2.gz DUESVTKKDFIUPH-UHFFFAOYSA-N 1 0 372.513 2.373 20 30 FEEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@@H](CC(N)=O)C2)c1 ZINC000175264031 546308068 /nfs/dbraw/zinc/30/80/68/546308068.db2.gz UZTOEAOCNBITIJ-KRWDZBQOSA-N 1 0 356.470 2.138 20 30 FEEDRO C[C@@H](CCNS(=O)(=O)Cc1ccc(C#N)cc1F)[NH+]1CCCCC1 ZINC000480695845 561214716 /nfs/dbraw/zinc/21/47/16/561214716.db2.gz URNIPJOFQROINI-AWEZNQCLSA-N 1 0 353.463 2.381 20 30 FEEDRO Cc1cc(C#N)ccc1S(=O)(=O)NCCN(C)Cc1ccc(F)cc1 ZINC000176915287 546507052 /nfs/dbraw/zinc/50/70/52/546507052.db2.gz BGISFBKWZCSZGM-UHFFFAOYSA-N 1 0 361.442 2.416 20 30 FEEDRO [NH2+]=C(NCC(=O)N1CCC(Cc2ccccc2)CC1)Nc1ccccn1 ZINC000176968849 546516097 /nfs/dbraw/zinc/51/60/97/546516097.db2.gz LNHNZUIBGRYRPO-UHFFFAOYSA-N 1 0 351.454 2.290 20 30 FEEDRO C=CCc1cc(C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)cc(OC)c1OC ZINC000178107498 546740124 /nfs/dbraw/zinc/74/01/24/546740124.db2.gz XJZFSJPHJQNBEY-MRXNPFEDSA-N 1 0 374.481 2.227 20 30 FEEDRO Cc1csc(CNC(NCC(=O)N(C)C)=[NH+][C@H]2CCCC[C@@H]2C)n1 ZINC000178208157 546758244 /nfs/dbraw/zinc/75/82/44/546758244.db2.gz FZDQNKRIODWKIC-JSGCOSHPSA-N 1 0 351.520 2.154 20 30 FEEDRO N#Cc1cc(Cl)ccc1S(=O)(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000178516997 546806485 /nfs/dbraw/zinc/80/64/85/546806485.db2.gz JUZBHDCEXPNERI-UHFFFAOYSA-N 1 0 353.875 2.364 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)C(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000481782581 561242049 /nfs/dbraw/zinc/24/20/49/561242049.db2.gz YGLYBVZETQDAIJ-JKSUJKDBSA-N 1 0 363.527 2.499 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)NCc2cccnc2OCC(F)F)CC1 ZINC000179340539 546934939 /nfs/dbraw/zinc/93/49/39/546934939.db2.gz XJDIPOLDOOPGGK-UHFFFAOYSA-N 1 0 354.401 2.175 20 30 FEEDRO CC[C@@H]1Oc2cc([C@H](C)[NH2+]CC(=O)N[C@@](C)(C#N)C3CC3)ccc2NC1=O ZINC000180006622 547038491 /nfs/dbraw/zinc/03/84/91/547038491.db2.gz POAMTQIIUARFOX-APXLUKDGSA-N 1 0 370.453 2.255 20 30 FEEDRO C[C@@H]1CN(Cc2ccccc2CNC(=O)c2cc(C#N)ccn2)C[C@H](C)O1 ZINC000482997425 561264566 /nfs/dbraw/zinc/26/45/66/561264566.db2.gz DJARPRDDMDTWAO-IYBDPMFKSA-N 1 0 364.449 2.492 20 30 FEEDRO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@H](c2nc3cc(C)ccc3[nH]2)C1 ZINC000181155684 547259193 /nfs/dbraw/zinc/25/91/93/547259193.db2.gz XFWKSRICRVGSSJ-GJZGRUSLSA-N 1 0 369.469 2.451 20 30 FEEDRO COc1c[nH+]ccc1N1CCN(CCC(=O)Nc2ccccc2C#N)CC1 ZINC000483218135 561270965 /nfs/dbraw/zinc/27/09/65/561270965.db2.gz GJUXWJAFUJYLOL-UHFFFAOYSA-N 1 0 365.437 2.113 20 30 FEEDRO CNC(=O)C[C@H]([NH2+]CCOc1ccc(C#N)cc1OC)c1ccccc1 ZINC000483420421 561276731 /nfs/dbraw/zinc/27/67/31/561276731.db2.gz MTMSMABBCANUTM-KRWDZBQOSA-N 1 0 353.422 2.413 20 30 FEEDRO C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000181719784 547367201 /nfs/dbraw/zinc/36/72/01/547367201.db2.gz LIDBTQFBJBLNSO-HNNXBMFYSA-N 1 0 370.453 2.003 20 30 FEEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+][C@@H](CC(N)=O)C3CCCCC3)C2=O)cc1 ZINC000182011415 547421335 /nfs/dbraw/zinc/42/13/35/547421335.db2.gz SDGQXUKESFJOOO-MOPGFXCFSA-N 1 0 368.481 2.468 20 30 FEEDRO N#Cc1ccc(N2CCC[C@H]([NH2+][C@H](CC(N)=O)C3CCCCC3)C2=O)cc1 ZINC000182011436 547421638 /nfs/dbraw/zinc/42/16/38/547421638.db2.gz SDGQXUKESFJOOO-RBUKOAKNSA-N 1 0 368.481 2.468 20 30 FEEDRO CCN(CC)C(=O)CCC1CC[NH+](CC(=O)N[C@](C)(C#N)C(C)C)CC1 ZINC000182565892 547514274 /nfs/dbraw/zinc/51/42/74/547514274.db2.gz KPNUBJBFJKNYFE-HXUWFJFHSA-N 1 0 364.534 2.401 20 30 FEEDRO N#C[C@H](c1cccs1)N1CCN(C(=O)C[N@@H+]2CCC3(CCC3)C2)CC1 ZINC000182851449 547561840 /nfs/dbraw/zinc/56/18/40/547561840.db2.gz VVPCZNVMFASSLR-MRXNPFEDSA-N 1 0 358.511 2.333 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N[C@@H]2CCN(C(C)=O)Cc3cc(F)ccc32)CC1 ZINC000184162782 547778317 /nfs/dbraw/zinc/77/83/17/547778317.db2.gz BYHNNNVOMVBUER-HXUWFJFHSA-N 1 0 371.456 2.080 20 30 FEEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc(=O)[nH]c(C2CC2)c1 ZINC000184238723 547792782 /nfs/dbraw/zinc/79/27/82/547792782.db2.gz ADLXLKDIRZTKHM-UHFFFAOYSA-N 1 0 364.449 2.328 20 30 FEEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cnn(-c3ncccc3C#N)c2)[C@H](C)C1 ZINC000184626602 547856852 /nfs/dbraw/zinc/85/68/52/547856852.db2.gz CIAWMWQPOSYHNH-PBHICJAKSA-N 1 0 367.457 2.333 20 30 FEEDRO C#CCOc1ccc(C[NH2+]Cc2cnc(N3CCOCC3)c(F)c2)cc1 ZINC000185071376 547927004 /nfs/dbraw/zinc/92/70/04/547927004.db2.gz LWEZTCZFUVZELW-UHFFFAOYSA-N 1 0 355.413 2.359 20 30 FEEDRO C#CCOc1ccccc1NC(=O)C(=O)NCCC[N@H+]1CCCC[C@@H]1C ZINC000187205538 548253676 /nfs/dbraw/zinc/25/36/76/548253676.db2.gz YJJORVIXJASFAS-INIZCTEOSA-N 1 0 357.454 2.018 20 30 FEEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000187711439 548261337 /nfs/dbraw/zinc/26/13/37/548261337.db2.gz RDYUVKUZIBXKRZ-AWEZNQCLSA-N 1 0 374.510 2.429 20 30 FEEDRO CN(CC[N@H+](C)C1CC1)C(=O)C(=O)Nc1ccccc1SCCC#N ZINC000187699172 548261598 /nfs/dbraw/zinc/26/15/98/548261598.db2.gz VERIWURYTRQFBL-UHFFFAOYSA-N 1 0 360.483 2.183 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cc(F)c(OC)cc2C)CC1 ZINC000187960978 548268218 /nfs/dbraw/zinc/26/82/18/548268218.db2.gz PESWKMKVSWXQES-UHFFFAOYSA-N 1 0 363.433 2.238 20 30 FEEDRO C=CC[C@@H](C(=O)N1CCC(C(=O)NCC[NH+](C)C)CC1)c1ccccc1 ZINC000189499909 548303714 /nfs/dbraw/zinc/30/37/14/548303714.db2.gz LLXLEWUCQKZLAG-LJQANCHMSA-N 1 0 357.498 2.263 20 30 FEEDRO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000190074201 548316105 /nfs/dbraw/zinc/31/61/05/548316105.db2.gz AWTGBWBJXOOBJC-WMLDXEAASA-N 1 0 354.454 2.121 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2sc(CCC)nc2C)CC1 ZINC000486408902 561346495 /nfs/dbraw/zinc/34/64/95/561346495.db2.gz OWRCYTXMHXZKHQ-UHFFFAOYSA-N 1 0 364.515 2.499 20 30 FEEDRO CC[C@@H]1CN([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC[N@@H+]1CCOC ZINC000245536700 548940423 /nfs/dbraw/zinc/94/04/23/548940423.db2.gz XSKMOOMQRBYTTB-QUCCMNQESA-N 1 0 370.497 2.096 20 30 FEEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2C[C@H](C(N)=O)CC[C@H]2C)c1 ZINC000245842806 549002797 /nfs/dbraw/zinc/00/27/97/549002797.db2.gz HSHXCCXHNRLVKK-IAGOWNOFSA-N 1 0 356.470 2.136 20 30 FEEDRO CC[C@@H]1Oc2cc([C@H](C)[NH2+]CC(=O)N[C@](C)(C#N)C3CC3)ccc2NC1=O ZINC000245889670 549012322 /nfs/dbraw/zinc/01/23/22/549012322.db2.gz POAMTQIIUARFOX-SLSDUTBNSA-N 1 0 370.453 2.255 20 30 FEEDRO C[C@@H]1C[C@H](NC(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)C[N@@H+]1C1CC1 ZINC000246153308 549063533 /nfs/dbraw/zinc/06/35/33/549063533.db2.gz DFBIPXYTBVWTFG-KPFFTGBYSA-N 1 0 367.497 2.031 20 30 FEEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+](C)C[C@H]1CCC[C@H]1O ZINC000246247066 549087812 /nfs/dbraw/zinc/08/78/12/549087812.db2.gz GOXIVMWRAMRANO-LZLYRXPVSA-N 1 0 359.470 2.423 20 30 FEEDRO COc1cccc(C[C@H](C)[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)n1 ZINC000488480716 561390502 /nfs/dbraw/zinc/39/05/02/561390502.db2.gz FIMMNBYHUYEEKU-HNAYVOBHSA-N 1 0 364.449 2.284 20 30 FEEDRO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+](C)C[C@@H](O)COCc1ccccc1 ZINC000246366990 549116771 /nfs/dbraw/zinc/11/67/71/549116771.db2.gz LQRNOFYXZSOBCE-IEBWSBKVSA-N 1 0 373.497 2.227 20 30 FEEDRO C[C@@H](C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000246703933 549192058 /nfs/dbraw/zinc/19/20/58/549192058.db2.gz KGLXURQAETYACP-DMUMMCEESA-N 1 0 354.498 2.484 20 30 FEEDRO C[N@@H+]1CCC[C@@H]2CN(S(=O)(=O)c3ccc(Cl)c(C#N)c3)CC[C@H]21 ZINC000247136503 549288728 /nfs/dbraw/zinc/28/87/28/549288728.db2.gz RYXCEFQYGVUDKL-MLGOLLRUSA-N 1 0 353.875 2.316 20 30 FEEDRO Cc1ncc(S(=O)(=O)NCC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)cc1C#N ZINC000489115014 561403800 /nfs/dbraw/zinc/40/38/00/561403800.db2.gz FIYWMRYJPAUUBS-ZIAGYGMSSA-N 1 0 364.515 2.297 20 30 FEEDRO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3C[C@H](C)[C@H]4CCCC[C@H]43)CC2)o1 ZINC000248449498 549439919 /nfs/dbraw/zinc/43/99/19/549439919.db2.gz XREVEUCDHSULFN-YXJHDRRASA-N 1 0 371.485 2.014 20 30 FEEDRO C#CCOc1ccccc1NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000248608196 549466808 /nfs/dbraw/zinc/46/68/08/549466808.db2.gz WCOOWGIDNZIOEX-SJORKVTESA-N 1 0 369.465 2.111 20 30 FEEDRO C=C(C)CS(=O)(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000248823805 549507725 /nfs/dbraw/zinc/50/77/25/549507725.db2.gz FXYSBLFRXXLCOB-MSOLQXFVSA-N 1 0 357.564 2.161 20 30 FEEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000489551469 561414024 /nfs/dbraw/zinc/41/40/24/561414024.db2.gz LUUYAMFKHXADBP-UHFFFAOYSA-N 1 0 356.470 2.199 20 30 FEEDRO C=CCCCS(=O)(=O)N(C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000489555377 561414215 /nfs/dbraw/zinc/41/42/15/561414215.db2.gz UKYVVCZFDBALPI-UHFFFAOYSA-N 1 0 371.591 2.411 20 30 FEEDRO C=CCOc1cccc(NC(=O)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)c1 ZINC000249255306 549573273 /nfs/dbraw/zinc/57/32/73/549573273.db2.gz YJIUINULIHADLZ-YJBOKZPZSA-N 1 0 357.454 2.133 20 30 FEEDRO COC(=O)[C@@H](C)C[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)Cc1ccccc1 ZINC000249725620 549619500 /nfs/dbraw/zinc/61/95/00/549619500.db2.gz MGJAZJHAHMEHFL-JXFKEZNVSA-N 1 0 359.470 2.352 20 30 FEEDRO N#Cc1c(F)cccc1C(=O)NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000249881340 549633922 /nfs/dbraw/zinc/63/39/22/549633922.db2.gz HPPUGFDSSAMICZ-HOTGVXAUSA-N 1 0 353.397 2.063 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2CCC[C@]3(CC[NH2+]C3)C2)cc1C(F)(F)F ZINC000490005106 561424285 /nfs/dbraw/zinc/42/42/85/561424285.db2.gz OPUXRENREZQXMF-OAHLLOKOSA-N 1 0 373.400 2.341 20 30 FEEDRO [NH2+]=C(NCc1ccnc(N2CCN(c3ccc(F)cc3)CC2)c1)NC1CC1 ZINC000261746179 549750501 /nfs/dbraw/zinc/75/05/01/549750501.db2.gz JCUSYDPGVBNKPM-UHFFFAOYSA-N 1 0 368.460 2.114 20 30 FEEDRO C[NH+]=C(NCc1cccc(N(C)C)n1)N[C@H]1CCN(c2ccccc2)C1 ZINC000261768125 549753172 /nfs/dbraw/zinc/75/31/72/549753172.db2.gz OZCNZKRYGOEMGQ-KRWDZBQOSA-N 1 0 352.486 2.092 20 30 FEEDRO CC[NH+]=C(NCc1ncc(C(C)(C)C)o1)N1CCO[C@H](c2cnn(C)c2)C1 ZINC000261846436 549762574 /nfs/dbraw/zinc/76/25/74/549762574.db2.gz XHOMEWRGMPGRPX-HNNXBMFYSA-N 1 0 374.489 2.245 20 30 FEEDRO C/[NH+]=C(/NCc1cn2ccsc2n1)N1CC[C@@H](Oc2ccccn2)C1 ZINC000262000629 549779027 /nfs/dbraw/zinc/77/90/27/549779027.db2.gz UHHYMLYOVGKKTJ-CQSZACIVSA-N 1 0 356.455 2.020 20 30 FEEDRO C[C@H](NC(NC[C@H]1CCS(=O)(=O)C1)=[NH+]C1CC1)c1ccc(F)c(F)c1 ZINC000262281572 549805717 /nfs/dbraw/zinc/80/57/17/549805717.db2.gz WQAGJAXUYBZHKG-NWDGAFQWSA-N 1 0 371.453 2.158 20 30 FEEDRO Cc1cc(CNC(NC[C@@H]2CCS(=O)(=O)C2)=[NH+]C(C)C)ccc1F ZINC000262440047 549820192 /nfs/dbraw/zinc/82/01/92/549820192.db2.gz UMQWAZCROYFUGB-HNNXBMFYSA-N 1 0 355.479 2.012 20 30 FEEDRO C[NH+]=C(NCc1nnc2n1CCC2)N1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000262464787 549821793 /nfs/dbraw/zinc/82/17/93/549821793.db2.gz NJMFMYGHBTYCSZ-HNNXBMFYSA-N 1 0 356.449 2.003 20 30 FEEDRO C[NH+]=C(NCc1nnc2n1CCCC2)N1CC[C@H](c2ccccc2C)C1 ZINC000262484551 549823671 /nfs/dbraw/zinc/82/36/71/549823671.db2.gz SIYYQLSIGFTZNX-INIZCTEOSA-N 1 0 352.486 2.488 20 30 FEEDRO C[NH+]=C(NCc1cnc(N(C)C)n1C)NC1CCC(C(F)(F)F)CC1 ZINC000262777636 549848620 /nfs/dbraw/zinc/84/86/20/549848620.db2.gz KJBDYTBTMXJNTA-UHFFFAOYSA-N 1 0 360.428 2.272 20 30 FEEDRO O=S1(=O)CC[C@@H](CNC(NCc2cccs2)=[NH+]C2CCCC2)C1 ZINC000263248093 549889015 /nfs/dbraw/zinc/88/90/15/549889015.db2.gz NPXKWEWZHBSFEB-ZDUSSCGKSA-N 1 0 355.529 2.161 20 30 FEEDRO C[C@@H](CNS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)[N@H+](C)C1CC1 ZINC000263941531 549957810 /nfs/dbraw/zinc/95/78/10/549957810.db2.gz QLHAULMGOZFISP-JTQLQIEISA-N 1 0 361.389 2.338 20 30 FEEDRO C[NH+](C)CC(C)(C)CNC(=O)CCC(=O)N(CCC#N)c1ccccc1 ZINC000263963972 549961031 /nfs/dbraw/zinc/96/10/31/549961031.db2.gz LWSBQSNXHNENJM-UHFFFAOYSA-N 1 0 358.486 2.417 20 30 FEEDRO COc1ccc(CCNC(=[NH2+])NCc2cccc(NC(C)=O)c2)cc1OC ZINC000264059779 549973738 /nfs/dbraw/zinc/97/37/38/549973738.db2.gz CHKMFSWHHPRDNR-UHFFFAOYSA-N 1 0 370.453 2.309 20 30 FEEDRO COc1cc(CNC(=[NH2+])N[C@@H](C)CCCC(C)C)ccc1OCC(N)=O ZINC000264079992 549976690 /nfs/dbraw/zinc/97/66/90/549976690.db2.gz HBMINCNGWHWDQQ-AWEZNQCLSA-N 1 0 364.490 2.178 20 30 FEEDRO CCCC[NH+]=C(NCc1ccc(C)cc1)NC[C@@H]1CCS(=O)(=O)C1 ZINC000264117040 549980873 /nfs/dbraw/zinc/98/08/73/549980873.db2.gz QFENEAIJHGGWLB-KRWDZBQOSA-N 1 0 351.516 2.265 20 30 FEEDRO CN1CCN(c2ncccc2CNC(=[NH2+])Nc2ccc3c(c2)CCC3)CC1 ZINC000264123749 549981820 /nfs/dbraw/zinc/98/18/20/549981820.db2.gz VSBKXTJVVIRQLR-UHFFFAOYSA-N 1 0 364.497 2.249 20 30 FEEDRO COC[C@H](C)NC(=[NH2+])NC[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000264134229 549983449 /nfs/dbraw/zinc/98/34/49/549983449.db2.gz ZDHTXSVTVHMEEB-STQMWFEESA-N 1 0 369.307 2.215 20 30 FEEDRO CCN(CC)S(=O)(=O)c1ccc(CCNC(=[NH2+])NC(C)(C)C)s1 ZINC000264323757 549994614 /nfs/dbraw/zinc/99/46/14/549994614.db2.gz YECCYHOXIQEWKW-UHFFFAOYSA-N 1 0 360.549 2.024 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)NCC(=O)Nc2ccc(OCC)cc2)CC1 ZINC000264385771 549995147 /nfs/dbraw/zinc/99/51/47/549995147.db2.gz MOAXISIZYSBYEX-UHFFFAOYSA-N 1 0 374.485 2.364 20 30 FEEDRO C#CCOc1cccc(NC(=O)NCC2([NH+]3CCCC3)CCOCC2)c1 ZINC000264518344 549996973 /nfs/dbraw/zinc/99/69/73/549996973.db2.gz HJMRZGCZZNBCKX-UHFFFAOYSA-N 1 0 357.454 2.465 20 30 FEEDRO C#CCOc1cccc(NC(=O)C(=O)NCCCC[N@H+]2CCC[C@H](C)C2)c1 ZINC000264577907 549998396 /nfs/dbraw/zinc/99/83/96/549998396.db2.gz WYKWVDCZRLATPG-KRWDZBQOSA-N 1 0 371.481 2.265 20 30 FEEDRO N#CCN1CCC[C@H](CNC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000266109437 550017240 /nfs/dbraw/zinc/01/72/40/550017240.db2.gz SJYNKENUHZJHJX-UXHICEINSA-N 1 0 354.498 2.250 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccc(OC)c(N3CCOC3=O)c2)CC1 ZINC000266415420 550020448 /nfs/dbraw/zinc/02/04/48/550020448.db2.gz HIKBAJGDXQLNJK-UHFFFAOYSA-N 1 0 374.441 2.424 20 30 FEEDRO CC(C)[NH+](CCCNC(=O)C(=O)Nc1cccc(OCC#N)c1)C(C)C ZINC000267010655 550026525 /nfs/dbraw/zinc/02/65/25/550026525.db2.gz DIFKSVRLQVJEEN-UHFFFAOYSA-N 1 0 360.458 2.153 20 30 FEEDRO CN(C)c1ncc(CNC(=[NH2+])NCc2cccc(C(F)(F)F)c2)n1C ZINC000267409347 550031004 /nfs/dbraw/zinc/03/10/04/550031004.db2.gz HUVQHQXRQVFTLR-UHFFFAOYSA-N 1 0 354.380 2.109 20 30 FEEDRO CCCNC(=[NH2+])NCCC(=O)N(C)Cc1ccccc1Br ZINC000267473219 550032159 /nfs/dbraw/zinc/03/21/59/550032159.db2.gz YNVKAMRTQNWNNC-UHFFFAOYSA-N 1 0 355.280 2.112 20 30 FEEDRO COc1ccc(CNC(=[NH2+])NCc2cn3c(cccc3C)n2)cc1OC ZINC000267473196 550032404 /nfs/dbraw/zinc/03/24/04/550032404.db2.gz YNDBJCKNFPSIFK-UHFFFAOYSA-N 1 0 353.426 2.264 20 30 FEEDRO COc1ccc(CNC(=[NH2+])NCc2csc([C@H](C)OC)n2)cc1OC ZINC000267613161 550033398 /nfs/dbraw/zinc/03/33/98/550033398.db2.gz DDHDSRSBIIRWMU-NSHDSACASA-N 1 0 364.471 2.472 20 30 FEEDRO Cc1ccc(CNC(Nc2ccccc2)=[NH+]C[C@H]2CC[C@@H](C(N)=O)O2)cc1 ZINC000268375329 550056083 /nfs/dbraw/zinc/05/60/83/550056083.db2.gz IKRXEXUACIXLMR-MOPGFXCFSA-N 1 0 366.465 2.395 20 30 FEEDRO CCC[N@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)CC(C)(C)O ZINC000268571276 550088705 /nfs/dbraw/zinc/08/87/05/550088705.db2.gz QJKGPUVRFAWXJI-UHFFFAOYSA-N 1 0 355.442 2.165 20 30 FEEDRO C=CCC[C@@H](O)C[N@@H+]1CCc2cc(OC)c(OC)cc2[C@H]1CC(=O)OC ZINC000268625026 550095921 /nfs/dbraw/zinc/09/59/21/550095921.db2.gz JIXKCXIBIJVGJS-NVXWUHKLSA-N 1 0 363.454 2.493 20 30 FEEDRO C[NH+](C)[C@H]1CCN(c2ccc(NC(=O)COc3ccc(C#N)cc3)nc2)C1 ZINC000269438978 550196253 /nfs/dbraw/zinc/19/62/53/550196253.db2.gz QHTZDRLFUIQJGI-KRWDZBQOSA-N 1 0 365.437 2.111 20 30 FEEDRO N#Cc1ccc(/C=C/C(=O)NC[C@H](O)C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000269587125 550208517 /nfs/dbraw/zinc/20/85/17/550208517.db2.gz XJGPQKDZWHFYKC-GLCJEOIMSA-N 1 0 361.445 2.107 20 30 FEEDRO C[NH+](C)C[C@H]1CCCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000269786844 550225301 /nfs/dbraw/zinc/22/53/01/550225301.db2.gz JAXLUBUBNOXZRA-CYBMUJFWSA-N 1 0 361.389 2.292 20 30 FEEDRO C[NH+]1CCC([C@H]2CCN(C(=O)NCc3ccc(OCC#N)cc3)C2)CC1 ZINC000270046789 550245402 /nfs/dbraw/zinc/24/54/02/550245402.db2.gz BRGXMQYOIYWGME-SFHVURJKSA-N 1 0 356.470 2.462 20 30 FEEDRO C[C@H](CO)CCCNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000270532391 550281296 /nfs/dbraw/zinc/28/12/96/550281296.db2.gz ONNYFIMNGBKCML-KRWDZBQOSA-N 1 0 358.486 2.184 20 30 FEEDRO C=CCOc1ccc(C(=O)N2C[C@@H](SC)[C@H]([NH+](C)C)C2)cc1OC ZINC000270551705 550282907 /nfs/dbraw/zinc/28/29/07/550282907.db2.gz ZNNUYMAGEYOJFA-RHSMWYFYSA-N 1 0 350.484 2.378 20 30 FEEDRO N#CC1(F)CCN(C(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)CC1 ZINC000493950564 561459854 /nfs/dbraw/zinc/45/98/54/561459854.db2.gz PUCDJNIJIAFVKB-UHFFFAOYSA-N 1 0 374.460 2.181 20 30 FEEDRO N#CCCN(CCC#N)C(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000271033936 550333689 /nfs/dbraw/zinc/33/36/89/550333689.db2.gz MIMAOMVIRFMAOX-UHFFFAOYSA-N 1 0 354.454 2.160 20 30 FEEDRO COCCNC(=O)[C@H]1CC[C@H](C)[N@H+](Cc2ccc(N(C)CCC#N)cc2)C1 ZINC000271131126 550343324 /nfs/dbraw/zinc/34/33/24/550343324.db2.gz KDZGEXJTMGODKO-HKUYNNGSSA-N 1 0 372.513 2.400 20 30 FEEDRO CCOC(=O)[C@@H]1CCCCN1C(=O)C[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000271764887 550400246 /nfs/dbraw/zinc/40/02/46/550400246.db2.gz ILALXZROOGUCPL-KRWDZBQOSA-N 1 0 355.438 2.081 20 30 FEEDRO COc1cc(C)c([C@@H](C)[NH2+]CC(=O)N(CCC#N)CCC#N)cc1OC ZINC000271820466 550404172 /nfs/dbraw/zinc/40/41/72/550404172.db2.gz VRGRDZGVRNLAFF-OAHLLOKOSA-N 1 0 358.442 2.319 20 30 FEEDRO Cc1cc(NC(=O)NC2CC[NH+](Cc3ccccn3)CC2)nn1CCC#N ZINC000272088389 550421867 /nfs/dbraw/zinc/42/18/67/550421867.db2.gz MTFDUEHKUOVNCR-UHFFFAOYSA-N 1 0 367.457 2.286 20 30 FEEDRO C=CCOc1cccc(C[NH2+][C@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)c1 ZINC000272113878 550423677 /nfs/dbraw/zinc/42/36/77/550423677.db2.gz YDVQJASVCMEPHI-FUHWJXTLSA-N 1 0 351.468 2.077 20 30 FEEDRO CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N(CCC#N)CC(C)(C)C)CC1=O ZINC000494411534 561469200 /nfs/dbraw/zinc/46/92/00/561469200.db2.gz BVMKSDAMIVYFQF-IRXDYDNUSA-N 1 0 362.518 2.108 20 30 FEEDRO C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000272639329 550462270 /nfs/dbraw/zinc/46/22/70/550462270.db2.gz ZXLMSSMHYSSMAA-JKSUJKDBSA-N 1 0 370.453 2.003 20 30 FEEDRO C=CCS(=O)(=O)CC[NH2+][C@@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000272842003 550472765 /nfs/dbraw/zinc/47/27/65/550472765.db2.gz JUPKVBKQDKCSIM-ZDUSSCGKSA-N 1 0 351.472 2.222 20 30 FEEDRO Cc1ccsc1[C@@H](CO)[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000494624687 561472802 /nfs/dbraw/zinc/47/28/02/561472802.db2.gz HJFXRMLIEVLQRO-OAHLLOKOSA-N 1 0 350.465 2.025 20 30 FEEDRO Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000274555432 550543586 /nfs/dbraw/zinc/54/35/86/550543586.db2.gz YIODCNYEFWHDSS-KRWDZBQOSA-N 1 0 368.485 2.139 20 30 FEEDRO Cc1ccc(N(CCC#N)C(=O)C[N@H+](CCO)C2CCOCC2)cc1C ZINC000275515073 550572666 /nfs/dbraw/zinc/57/26/66/550572666.db2.gz IMRLWZJNNFZPQQ-UHFFFAOYSA-N 1 0 359.470 2.023 20 30 FEEDRO Cc1ccccc1C[NH+]1CCC(NS(=O)(=O)c2cccnc2C#N)CC1 ZINC000276984150 550618213 /nfs/dbraw/zinc/61/82/13/550618213.db2.gz HKEIAQNBRBTYHQ-UHFFFAOYSA-N 1 0 370.478 2.205 20 30 FEEDRO CCN(Cc1ccc(C[NH+](C)C)cc1)S(=O)(=O)c1cccnc1C#N ZINC000277023011 550623170 /nfs/dbraw/zinc/62/31/70/550623170.db2.gz NFEXPNHQYWQEFG-UHFFFAOYSA-N 1 0 358.467 2.226 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)NC[C@@]2(Cc3ccc(F)cc3)CCC[C@H]2O)CC1 ZINC000277582443 550687434 /nfs/dbraw/zinc/68/74/34/550687434.db2.gz OOVUDJBSNZKXLD-IRLDBZIGSA-N 1 0 372.484 2.361 20 30 FEEDRO CC1(C)CCCN(C(=O)CC[NH+]2CCN(c3ccccn3)CC2)[C@@H]1C#N ZINC000277650097 550696379 /nfs/dbraw/zinc/69/63/79/550696379.db2.gz YWAYDQAVXIFNKL-QGZVFWFLSA-N 1 0 355.486 2.134 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N2CCC(CO)(Cc3ccccc3)CC2)CC1 ZINC000277825593 550718483 /nfs/dbraw/zinc/71/84/83/550718483.db2.gz VXILVTMSMNDYBE-UHFFFAOYSA-N 1 0 354.494 2.175 20 30 FEEDRO C[C@@H]1C[N@H+](CCCNC(=O)NC2(c3cccc(C#N)c3)CC2)CCCO1 ZINC000277865386 550723066 /nfs/dbraw/zinc/72/30/66/550723066.db2.gz ZOBPJUGHSXOJPM-MRXNPFEDSA-N 1 0 356.470 2.347 20 30 FEEDRO C=CCn1c(=O)[nH]nc1SC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000278686036 550811346 /nfs/dbraw/zinc/81/13/46/550811346.db2.gz ZANPWBRILQPUHJ-INIZCTEOSA-N 1 0 360.483 2.141 20 30 FEEDRO N#Cc1cc(C(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)ccc1F ZINC000278801759 550823377 /nfs/dbraw/zinc/82/33/77/550823377.db2.gz PTTLBLYJIAMPHB-SFHVURJKSA-N 1 0 353.397 2.194 20 30 FEEDRO CC1(C)C[C@@H]([NH2+]CCNC(=O)C2N=CC=CC2=O)c2cc([N+](=O)[O-])ccc21 ZINC000279036466 550849346 /nfs/dbraw/zinc/84/93/46/550849346.db2.gz IYDJQCXLIKHAEZ-BQASMSSTSA-N 1 0 370.409 2.433 20 30 FEEDRO C=CCN(C[C@H](O)Cc1ccc2ccccc2c1)[C@@H]1CCS(=O)(=O)C1 ZINC000279689933 550917199 /nfs/dbraw/zinc/91/71/99/550917199.db2.gz HSHDGVKMGSMOQZ-WOJBJXKFSA-N 1 0 359.491 2.418 20 30 FEEDRO Cn1nccc1CN1C[C@@H](F)C[C@H]1C[N@H+](C)Cc1ccc(OCC#N)cc1 ZINC000279692460 550917415 /nfs/dbraw/zinc/91/74/15/550917415.db2.gz IBIMZZDLQCSALA-HKUYNNGSSA-N 1 0 371.460 2.367 20 30 FEEDRO C#CCn1ccc(CN(CC)[C@H](C)C(=O)Nc2ccc3c(c2)OCCO3)n1 ZINC000279816534 550932219 /nfs/dbraw/zinc/93/22/19/550932219.db2.gz YCLLGMOTPFVMLS-OAHLLOKOSA-N 1 0 368.437 2.137 20 30 FEEDRO CCS(=O)(=O)c1ccc(CNC(=[NH2+])NCc2ccccc2OC)s1 ZINC000280015536 550952669 /nfs/dbraw/zinc/95/26/69/550952669.db2.gz OCXDCFCTDHUVQL-UHFFFAOYSA-N 1 0 367.496 2.155 20 30 FEEDRO Cc1ccc(NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C)cc1OC(C)C ZINC000280341282 550982738 /nfs/dbraw/zinc/98/27/38/550982738.db2.gz UAMRCVNYQMIHCJ-UHFFFAOYSA-N 1 0 374.485 2.415 20 30 FEEDRO C[C@@]1(C(N)=O)CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000280693399 551021884 /nfs/dbraw/zinc/02/18/84/551021884.db2.gz HUDJOZNEHOAQKA-LJQANCHMSA-N 1 0 374.510 2.415 20 30 FEEDRO C=CCN1CC[C@H]([N@H+](C)CCC(=O)N[C@H]2CCCc3ccccc32)C1=O ZINC000281442963 551098026 /nfs/dbraw/zinc/09/80/26/551098026.db2.gz UBSRSRCHRCWFNH-OALUTQOASA-N 1 0 355.482 2.289 20 30 FEEDRO C=CCN(CCc1ccccc1)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000281575612 551115121 /nfs/dbraw/zinc/11/51/21/551115121.db2.gz AWPNAQIMSSUFEY-UHFFFAOYSA-N 1 0 358.530 2.453 20 30 FEEDRO N#Cc1ccc(NC(=O)CC[NH2+][C@]2(CO)CCOc3ccccc32)cc1 ZINC000281642026 551124454 /nfs/dbraw/zinc/12/44/54/551124454.db2.gz IYVDNQFPHKOTMR-FQEVSTJZSA-N 1 0 351.406 2.147 20 30 FEEDRO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+](CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000497370068 561499647 /nfs/dbraw/zinc/49/96/47/561499647.db2.gz MTHFKEHGLULSAB-APWZRJJASA-N 1 0 370.497 2.191 20 30 FEEDRO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000497383663 561499924 /nfs/dbraw/zinc/49/99/24/561499924.db2.gz DZYOSGQJHYBNFJ-XLSPSMHOSA-N 1 0 364.534 2.446 20 30 FEEDRO COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@H](C)[N@@H+]2CCC(=O)Nc2ccc(C#N)cc2)O1 ZINC000282365751 551218013 /nfs/dbraw/zinc/21/80/13/551218013.db2.gz DOKSQKNTHITYQR-NBMRYCAZSA-N 1 0 371.437 2.070 20 30 FEEDRO C=CCn1c(C(=O)NC(C)C)nnc1N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000282443511 551229955 /nfs/dbraw/zinc/22/99/55/551229955.db2.gz ZRVCRUPIESOTAL-RDJZCZTQSA-N 1 0 372.517 2.055 20 30 FEEDRO N#CC1CCC(CNC(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)CC1 ZINC000282573077 551247648 /nfs/dbraw/zinc/24/76/48/551247648.db2.gz DESPQCCDUXTZKH-UHYCVJNDSA-N 1 0 370.497 2.382 20 30 FEEDRO C[C@H](CC#N)N(C)S(=O)(=O)N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000283073468 551307498 /nfs/dbraw/zinc/30/74/98/551307498.db2.gz UYIGODBTOMOTSZ-AEFFLSMTSA-N 1 0 364.515 2.062 20 30 FEEDRO C[C@@H]([NH2+][C@@H]1CCC(=O)N(C)[C@H]1c1ccnn1C)c1ccc(C#N)c(F)c1 ZINC000497720752 561507089 /nfs/dbraw/zinc/50/70/89/561507089.db2.gz WVXDHWNOPBAYRU-SMNXXWJPSA-N 1 0 355.417 2.444 20 30 FEEDRO COC(=O)c1c(F)cc(NC(=O)N(CCC#N)CCC[NH+](C)C)cc1F ZINC000283434476 551365430 /nfs/dbraw/zinc/36/54/30/551365430.db2.gz JLWZTRGNTVIOFC-UHFFFAOYSA-N 1 0 368.384 2.451 20 30 FEEDRO C=C(C)Cn1c(-c2ccc[nH]2)nnc1N1CC[NH+](CC2CCOCC2)CC1 ZINC000283624277 551398786 /nfs/dbraw/zinc/39/87/86/551398786.db2.gz OAMPNUZBYFPUOI-UHFFFAOYSA-N 1 0 370.501 2.398 20 30 FEEDRO C=CCOc1ccc(/C=C/C(=O)NCC2(COC)CC[NH2+]CC2)cc1OC ZINC000283755137 551422461 /nfs/dbraw/zinc/42/24/61/551422461.db2.gz APIXKAAABGNIPE-SOFGYWHQSA-N 1 0 374.481 2.406 20 30 FEEDRO COc1ccc(NC(=[NH2+])NCCS(=O)(=O)CCc2ccccc2)cc1 ZINC000283934655 551452969 /nfs/dbraw/zinc/45/29/69/551452969.db2.gz VXCVXHGBKFTSLK-UHFFFAOYSA-N 1 0 361.467 2.079 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H](CC)c2ccccc2)CC1 ZINC000284401035 551541858 /nfs/dbraw/zinc/54/18/58/551541858.db2.gz ZNWXOPAPOARIFM-QGZVFWFLSA-N 1 0 357.498 2.453 20 30 FEEDRO N#CC1(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)CCOCC1 ZINC000285360294 551743620 /nfs/dbraw/zinc/74/36/20/551743620.db2.gz BLIFNXHNEOYRAZ-INIZCTEOSA-N 1 0 363.408 2.333 20 30 FEEDRO Cc1ccc(C#N)cc1S(=O)(=O)N[C@@H]1CN(C)C[C@H]1c1ccccc1 ZINC000498850738 561535831 /nfs/dbraw/zinc/53/58/31/561535831.db2.gz BRMMIVGUIUXHEF-ZWKOTPCHSA-N 1 0 355.463 2.243 20 30 FEEDRO CC(C)(C(=O)NCCCC[N@@H+]1CCC[C@@H]1CO)c1cc(F)cc(C#N)c1 ZINC000285494150 551765362 /nfs/dbraw/zinc/76/53/62/551765362.db2.gz ARCWSQPJXVVQCN-GOSISDBHSA-N 1 0 361.461 2.328 20 30 FEEDRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)c2ccc(F)c(C#N)c2)CC1 ZINC000285864330 551820661 /nfs/dbraw/zinc/82/06/61/551820661.db2.gz DOCUGYOYEXFRKE-IYBDPMFKSA-N 1 0 358.461 2.328 20 30 FEEDRO C[C@H](C1CC[NH+](C)CC1)N(C)S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000498886818 561536882 /nfs/dbraw/zinc/53/68/82/561536882.db2.gz CTVVNHRTFGAWOU-LLVKDONJSA-N 1 0 357.426 2.187 20 30 FEEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000285926054 551828100 /nfs/dbraw/zinc/82/81/00/551828100.db2.gz TXYFMJFHGBDDFA-XJKSGUPXSA-N 1 0 356.470 2.294 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N2CCC[C@@H](Oc3ccccc3OC)C2)CC1 ZINC000286138881 551853427 /nfs/dbraw/zinc/85/34/27/551853427.db2.gz AEUGHUHHIAXRIY-GOSISDBHSA-N 1 0 356.466 2.410 20 30 FEEDRO C[C@H](CNC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1)C[NH+]1CCCC1 ZINC000286370868 551879810 /nfs/dbraw/zinc/87/98/10/551879810.db2.gz JUVBFNIDBSBEEE-WBVHZDCISA-N 1 0 358.461 2.372 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N(CCC)Cc2ccc(F)cc2)CC1 ZINC000286635170 551908828 /nfs/dbraw/zinc/90/88/28/551908828.db2.gz MPNNIPVJLKPBRL-UHFFFAOYSA-N 1 0 361.461 2.331 20 30 FEEDRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)C(=O)NCCCCC#N ZINC000286744891 551921308 /nfs/dbraw/zinc/92/13/08/551921308.db2.gz NXEWDQRAVZLFKI-IAGOWNOFSA-N 1 0 370.497 2.069 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(C)Cc2ccc(Cl)cc2)CC1 ZINC000286855462 551933785 /nfs/dbraw/zinc/93/37/85/551933785.db2.gz ZESNKTXJJDJLRM-UHFFFAOYSA-N 1 0 363.889 2.455 20 30 FEEDRO C#CC[C@@H](Cc1ccccc1)NC(=O)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000286919237 551940182 /nfs/dbraw/zinc/94/01/82/551940182.db2.gz AWPJPNSOIYZLNP-SFTDATJTSA-N 1 0 370.541 2.192 20 30 FEEDRO CC(C)N(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000288924328 552237135 /nfs/dbraw/zinc/23/71/35/552237135.db2.gz MAUQBSOOOLNKEG-CRAIPNDOSA-N 1 0 368.481 2.037 20 30 FEEDRO CCCN(CC[NH+]1CCCC1)C(=O)C(=O)Nc1cc(C#N)ccc1OCC ZINC000288985357 552248199 /nfs/dbraw/zinc/24/81/99/552248199.db2.gz LDKCAVNRZZGUDB-UHFFFAOYSA-N 1 0 372.469 2.230 20 30 FEEDRO COCCOCc1ccc(C[NH+]2CCN(c3cc(C#N)ccn3)CC2)cc1 ZINC000289229934 552286156 /nfs/dbraw/zinc/28/61/56/552286156.db2.gz YLTKVHDAPJVYSD-UHFFFAOYSA-N 1 0 366.465 2.438 20 30 FEEDRO CN(C)C(=O)CC[NH+]1CCC(Nc2nc3c(cc2C#N)CCCC3)CC1 ZINC000500255677 561568944 /nfs/dbraw/zinc/56/89/44/561568944.db2.gz XHZMLIUUNZVDIH-UHFFFAOYSA-N 1 0 355.486 2.187 20 30 FEEDRO C[C@@](C#N)(NC(=O)C[NH2+][C@H]1c2ccccc2CC12CCOCC2)C1CC1 ZINC000290051055 552420217 /nfs/dbraw/zinc/42/02/17/552420217.db2.gz DLEIFKUGQIVJLX-PMACEKPBSA-N 1 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552747514 /nfs/dbraw/zinc/74/75/14/552747514.db2.gz ALFRSFPMHCKXHD-UHFFFAOYSA-N 1 0 362.861 2.019 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)cc1F ZINC000293400494 552819648 /nfs/dbraw/zinc/81/96/48/552819648.db2.gz MNRXWIYKHBRGAI-AWEZNQCLSA-N 1 0 351.447 2.194 20 30 FEEDRO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(C#N)cc2Cl)CC[N@@H+](C2CCC2)C1 ZINC000293436316 552823462 /nfs/dbraw/zinc/82/34/62/552823462.db2.gz OFBTWUOGZXRASS-ZDUSSCGKSA-N 1 0 374.872 2.483 20 30 FEEDRO C=CCOc1cccc(NC(=O)C(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)c1 ZINC000293476471 552827722 /nfs/dbraw/zinc/82/77/22/552827722.db2.gz VHQBONATUOXQEP-FQEVSTJZSA-N 1 0 357.454 2.134 20 30 FEEDRO C[N@H+](C[C@H](O)Cc1ccccc1)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000293486253 552828692 /nfs/dbraw/zinc/82/86/92/552828692.db2.gz YMSMJLVVMGWUSU-SJORKVTESA-N 1 0 355.463 2.260 20 30 FEEDRO C#CCOc1ccccc1NC(=O)C(=O)NCCCCC[NH+]1CCCC1 ZINC000293716166 552849691 /nfs/dbraw/zinc/84/96/91/552849691.db2.gz NXQUGGJNECMQBN-UHFFFAOYSA-N 1 0 357.454 2.019 20 30 FEEDRO N#C[C@@H]1CN(C(=O)[C@@H]2COCCN2CC2CCC2)C[C@H]1c1ccccc1 ZINC000293925773 552868579 /nfs/dbraw/zinc/86/85/79/552868579.db2.gz PXGZMECXRCYFBL-AABGKKOBSA-N 1 0 353.466 2.253 20 30 FEEDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NS(=O)(=O)Cc1ccc(F)cc1C#N ZINC000294174930 552887963 /nfs/dbraw/zinc/88/79/63/552887963.db2.gz JQFUUVHJOMDLTR-ZIAGYGMSSA-N 1 0 353.463 2.237 20 30 FEEDRO C=CCc1cc(C(=O)Nc2ccnn2CC[NH+](C)C)cc(OC)c1OC ZINC000294181856 552888402 /nfs/dbraw/zinc/88/84/02/552888402.db2.gz TXJDZPFZCGQFIA-UHFFFAOYSA-N 1 0 358.442 2.443 20 30 FEEDRO C#CCCOc1ccc(C(=O)N2CCC(C[NH+]3CCN(C)CC3)CC2)cc1 ZINC000294468393 552908480 /nfs/dbraw/zinc/90/84/80/552908480.db2.gz CPBGTMMFDNPJRC-UHFFFAOYSA-N 1 0 369.509 2.188 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)S(=O)(=O)CC1CC(F)(F)C1 ZINC000295172588 552965793 /nfs/dbraw/zinc/96/57/93/552965793.db2.gz GSSFUTMVRPXEOS-UHFFFAOYSA-N 1 0 371.453 2.297 20 30 FEEDRO C[C@@H]1C[N@H+](CCCNC(=O)c2cnc(C(F)(F)F)c(C#N)c2)CCCO1 ZINC000295304353 552984487 /nfs/dbraw/zinc/98/44/87/552984487.db2.gz KDUQFBBSRRHNIS-GFCCVEGCSA-N 1 0 370.375 2.203 20 30 FEEDRO CC(C)(C[C@H]1CCCN([C@H]2CCN(c3sccc3C#N)C2=O)C1)C(N)=O ZINC000295468603 553011764 /nfs/dbraw/zinc/01/17/64/553011764.db2.gz GABJCQCCBSYOFZ-HIFRSBDPSA-N 1 0 374.510 2.339 20 30 FEEDRO CC[N@@H+]1CC[C@H]2OCCN(c3ncc(Br)cc3C#N)[C@H]2C1 ZINC000295725525 553050680 /nfs/dbraw/zinc/05/06/80/553050680.db2.gz VAEQYILXPAPVDV-UONOGXRCSA-N 1 0 351.248 2.015 20 30 FEEDRO CC1CC[NH+](CCCNS(=O)(=O)Cc2ccc(F)cc2C#N)CC1 ZINC000295957487 553081213 /nfs/dbraw/zinc/08/12/13/553081213.db2.gz MLNXPYBURXVFAY-UHFFFAOYSA-N 1 0 353.463 2.239 20 30 FEEDRO C=CCc1ccccc1OC[C@H](O)CN1C[C@@H](OC)C[C@H]1C[NH+]1CCCC1 ZINC000502377795 561617214 /nfs/dbraw/zinc/61/72/14/561617214.db2.gz JDZUHBMVERFKST-HBMCJLEFSA-N 1 0 374.525 2.340 20 30 FEEDRO C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC000296049510 553095990 /nfs/dbraw/zinc/09/59/90/553095990.db2.gz RERNDEDBWBRSKM-UHFFFAOYSA-N 1 0 360.506 2.011 20 30 FEEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1nnc(C)n1C ZINC000502520528 561620327 /nfs/dbraw/zinc/62/03/27/561620327.db2.gz QRSHBGKEZJJBRY-UHFFFAOYSA-N 1 0 361.519 2.222 20 30 FEEDRO C[C@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCC(CCC(N)=O)CC1 ZINC000502554820 561620885 /nfs/dbraw/zinc/62/08/85/561620885.db2.gz SKHULNJROADJCM-MRXNPFEDSA-N 1 0 356.470 2.299 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cncc(Cl)c2C)CC1 ZINC000296468096 553165043 /nfs/dbraw/zinc/16/50/43/553165043.db2.gz HGRPOWFWXPDJON-UHFFFAOYSA-N 1 0 350.850 2.139 20 30 FEEDRO C#CC[N@@H+](C)CCCNC(=O)N(C)Cc1ccc(OC)c(OC(F)F)c1 ZINC000296496737 553169748 /nfs/dbraw/zinc/16/97/48/553169748.db2.gz BEUQDGKHAZLSRM-UHFFFAOYSA-N 1 0 369.412 2.393 20 30 FEEDRO C#CC[N@@H+](C)CCCNC(=O)NCc1cccc(NC(=O)[C@H](C)CC)c1 ZINC000296502578 553170905 /nfs/dbraw/zinc/17/09/05/553170905.db2.gz YSZQWIPSBKSMOR-MRXNPFEDSA-N 1 0 358.486 2.426 20 30 FEEDRO CC[N@@H+]1CCC[C@@H](CN(C)C(=O)c2ccc(C#N)o2)[C@@H]1c1cnn(C)c1 ZINC000502731053 561624189 /nfs/dbraw/zinc/62/41/89/561624189.db2.gz QKKQLVMHTUQMDW-KBXCAEBGSA-N 1 0 355.442 2.430 20 30 FEEDRO COC(=O)c1cccc(NC(=O)N(CCC#N)CCC[NH+](C)C)c1F ZINC000297203572 553263141 /nfs/dbraw/zinc/26/31/41/553263141.db2.gz RNSZXTDETRTSBT-UHFFFAOYSA-N 1 0 350.394 2.312 20 30 FEEDRO Cc1cc(NCC[NH2+]C[C@H](O)COc2ccc(C#N)cc2)nc(C(C)C)n1 ZINC000600764055 553312715 /nfs/dbraw/zinc/31/27/15/553312715.db2.gz WJKWYEARDZDISC-KRWDZBQOSA-N 1 0 369.469 2.222 20 30 FEEDRO C[C@H](C#N)CN(C)C(=O)C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000297635671 553318382 /nfs/dbraw/zinc/31/83/82/553318382.db2.gz IHKBMDKOXXELNY-AOIWGVFYSA-N 1 0 370.497 2.116 20 30 FEEDRO CCN(CCC#N)C(=O)CN1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000297634915 553318438 /nfs/dbraw/zinc/31/84/38/553318438.db2.gz MHSVKCLUQVOMDY-UHFFFAOYSA-N 1 0 351.454 2.119 20 30 FEEDRO C=CCN(CC=C)C(=O)[C@H](C)[NH2+]Cc1ccccc1CN1CCCC1=O ZINC000298306430 553410542 /nfs/dbraw/zinc/41/05/42/553410542.db2.gz LRRJBACMSNPNNW-KRWDZBQOSA-N 1 0 355.482 2.488 20 30 FEEDRO N#Cc1ccsc1N1CC[C@H]([NH2+][C@@H](CC(N)=O)C2CCCCC2)C1=O ZINC000298720389 553463710 /nfs/dbraw/zinc/46/37/10/553463710.db2.gz BCUDJHHGEKGONW-GJZGRUSLSA-N 1 0 360.483 2.139 20 30 FEEDRO Cc1cccc(Cl)c1NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C ZINC000299555256 553580297 /nfs/dbraw/zinc/58/02/97/553580297.db2.gz GHXPXQIFUYGPQZ-UHFFFAOYSA-N 1 0 350.850 2.281 20 30 FEEDRO CC1CC[NH+](CCCCNc2ccc(S(N)(=O)=O)cc2C#N)CC1 ZINC000301341679 553644183 /nfs/dbraw/zinc/64/41/83/553644183.db2.gz FXMBZYWMDLHEQI-UHFFFAOYSA-N 1 0 350.488 2.130 20 30 FEEDRO Cc1cc(NC(=O)N2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)ncc1C#N ZINC000603119126 553712277 /nfs/dbraw/zinc/71/22/77/553712277.db2.gz XBDMEIWKJPQWSK-IAGOWNOFSA-N 1 0 370.501 2.284 20 30 FEEDRO N#Cc1ccccc1OC[C@H](O)C[NH2+][C@@H]1CCN(Cc2ccccc2)C1 ZINC000311975024 553755385 /nfs/dbraw/zinc/75/53/85/553755385.db2.gz NOSWNCXFNBVDIC-WOJBJXKFSA-N 1 0 351.450 2.162 20 30 FEEDRO N#CC1(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)CCOCC1 ZINC000312071125 553755980 /nfs/dbraw/zinc/75/59/80/553755980.db2.gz NPEKDNGWUJPOOY-MOPGFXCFSA-N 1 0 353.466 2.287 20 30 FEEDRO C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCCN(C3CCCCC3)C2=O)C[N@@H+]1C1CC1 ZINC000328604733 553795391 /nfs/dbraw/zinc/79/53/91/553795391.db2.gz IVWBSACMMMROFU-RVKKMQEKSA-N 1 0 362.518 2.439 20 30 FEEDRO C[NH+](C)C1(CNC(=O)N[C@H]2CCCN(C3CCCCC3)C2=O)CCC1 ZINC000328623818 553798025 /nfs/dbraw/zinc/79/80/25/553798025.db2.gz ZBUGVNVVSWDDOL-INIZCTEOSA-N 1 0 350.507 2.298 20 30 FEEDRO O=C(NC[C@H]1CCC[N@@H+]1CC1CCCCC1)N1C[C@@H]2COC[C@H](C1)O2 ZINC000328662757 553804115 /nfs/dbraw/zinc/80/41/15/553804115.db2.gz ARZZIJIETUPIBO-KURKYZTESA-N 1 0 351.491 2.045 20 30 FEEDRO CC[N@@H+]1C[C@@H](C)N(C(=O)C2CCN(c3oc(C)nc3C#N)CC2)C[C@H]1C ZINC000328720170 553812041 /nfs/dbraw/zinc/81/20/41/553812041.db2.gz GPQUDURWFJTFBY-ZIAGYGMSSA-N 1 0 359.474 2.012 20 30 FEEDRO O=C(C[C@H]1CCS(=O)(=O)C1)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000328815704 553826619 /nfs/dbraw/zinc/82/66/19/553826619.db2.gz GKCKXKWQTXKSOO-SJORKVTESA-N 1 0 350.484 2.432 20 30 FEEDRO O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)N1CC[C@H](C2CCOCC2)C1 ZINC000328818119 553827302 /nfs/dbraw/zinc/82/73/02/553827302.db2.gz HAIYKZKCQIAWMP-UHOSZYNNSA-N 1 0 365.518 2.027 20 30 FEEDRO COCCOc1ncccc1NC(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000328878710 553837552 /nfs/dbraw/zinc/83/75/52/553837552.db2.gz UTBOVBZZIUDVBR-MRXNPFEDSA-N 1 0 362.474 2.316 20 30 FEEDRO O=C(N[C@@H]1CCCN(c2ccccc2F)C1=O)N1CC[NH+](C2CCC2)CC1 ZINC000328924969 553846098 /nfs/dbraw/zinc/84/60/98/553846098.db2.gz VSMRPZDXGBXUAU-QGZVFWFLSA-N 1 0 374.460 2.405 20 30 FEEDRO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCN(CC(=O)NC2CCCCC2)CC1 ZINC000328961178 553853901 /nfs/dbraw/zinc/85/39/01/553853901.db2.gz PYHNBIMUYZLFSV-GOSISDBHSA-N 1 0 364.534 2.294 20 30 FEEDRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(C)(C)c2cc(F)cc(C#N)c2)C1 ZINC000506008908 561687049 /nfs/dbraw/zinc/68/70/49/561687049.db2.gz FLEWYRXKDWFZRD-SFHVURJKSA-N 1 0 361.461 2.448 20 30 FEEDRO Cc1noc([C@H](NC(=O)N[C@@H](C)C[NH+]2CCCCC2)C2CCOCC2)n1 ZINC000329022031 553866521 /nfs/dbraw/zinc/86/65/21/553866521.db2.gz IEQWWWLYDBJDAO-XJKSGUPXSA-N 1 0 365.478 2.224 20 30 FEEDRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cc3ccccc3c(=O)n2C)C1 ZINC000329028570 553867420 /nfs/dbraw/zinc/86/74/20/553867420.db2.gz WKWPHPHTNOTRKG-MRXNPFEDSA-N 1 0 357.454 2.200 20 30 FEEDRO CC(C)C[NH+]1CCC(NC(=O)N2CC[C@H]3[C@@H](C2)NC(=O)N3C(C)C)CC1 ZINC000329038746 553869058 /nfs/dbraw/zinc/86/90/58/553869058.db2.gz NRMUHKWZDBJECN-SJORKVTESA-N 1 0 365.522 2.102 20 30 FEEDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@@H]1CCCS(=O)(=O)C1 ZINC000329046787 553871476 /nfs/dbraw/zinc/87/14/76/553871476.db2.gz VETVPUIARRSWSA-DJIMGWMZSA-N 1 0 350.484 2.288 20 30 FEEDRO C[C@@H]1CN(C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)C[C@H]1C(N)=O ZINC000329094509 553879537 /nfs/dbraw/zinc/87/95/37/553879537.db2.gz XPOZCGOPCXCGPR-HZPDHXFCSA-N 1 0 366.506 2.286 20 30 FEEDRO Cc1c(C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)cnn1-c1ccc(=O)[nH]n1 ZINC000329108110 553881761 /nfs/dbraw/zinc/88/17/61/553881761.db2.gz FMQRCNBELQCBNG-CQSZACIVSA-N 1 0 358.446 2.101 20 30 FEEDRO CNC(=O)C1CCC(NC(=O)NCC2([NH+]3CCCC3)CCOCC2)CC1 ZINC000329110839 553882027 /nfs/dbraw/zinc/88/20/27/553882027.db2.gz JSMUHJSLOZRUSU-UHFFFAOYSA-N 1 0 366.506 2.280 20 30 FEEDRO O=C(NCC1([NH+]2CCCCC2)CCOCC1)C1(N2CCOCC2)CCC1 ZINC000329123281 553884325 /nfs/dbraw/zinc/88/43/25/553884325.db2.gz XDCSOAASUAMAMB-UHFFFAOYSA-N 1 0 365.518 2.233 20 30 FEEDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCOC[C@@H]2[C@@H]2CCC[C@@H]2O)C1 ZINC000329134944 553887041 /nfs/dbraw/zinc/88/70/41/553887041.db2.gz QHOAXRVWAQCGGW-XDNAFOTISA-N 1 0 367.534 2.273 20 30 FEEDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@@H]1CCO[C@]2(CCOC2)C1 ZINC000329149587 553889483 /nfs/dbraw/zinc/88/94/83/553889483.db2.gz QTUHSRRQPMDOKZ-ZHALLVOQSA-N 1 0 353.507 2.339 20 30 FEEDRO O=C(N[C@@H]1CC(=O)N(C2CCCCC2)C1)NC1CC[NH+](CC2CC2)CC1 ZINC000329152810 553890341 /nfs/dbraw/zinc/89/03/41/553890341.db2.gz TYIZWGGQYIIFKM-QGZVFWFLSA-N 1 0 362.518 2.298 20 30 FEEDRO CCn1cnnc1C1CCN(CC(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000329162303 553892801 /nfs/dbraw/zinc/89/28/01/553892801.db2.gz ZNRFUTBPNZBAOJ-UHFFFAOYSA-N 1 0 360.506 2.061 20 30 FEEDRO CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)N[C@H]2CCCC23CCOCC3)C1 ZINC000329171200 553894495 /nfs/dbraw/zinc/89/44/95/553894495.db2.gz JYFSUKAVWYZJAO-BZSNNMDCSA-N 1 0 365.518 2.435 20 30 FEEDRO CN1CC[C@H]([NH+]2CCC(NC(=O)[C@H]3CCOc4ccccc43)CC2)C1=O ZINC000329176091 553896077 /nfs/dbraw/zinc/89/60/77/553896077.db2.gz MJHYSUNVAQAOCK-IRXDYDNUSA-N 1 0 357.454 2.204 20 30 FEEDRO C[NH+]1CCN(c2ccc(NC(=O)[C@H]3CCCN(C(=O)C4CC4)C3)cn2)CC1 ZINC000329198386 553900520 /nfs/dbraw/zinc/90/05/20/553900520.db2.gz WOHXPHBYEWSKMX-INIZCTEOSA-N 1 0 371.485 2.070 20 30 FEEDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCO[C@@]2(CCCOC2)C1 ZINC000329242193 553909293 /nfs/dbraw/zinc/90/92/93/553909293.db2.gz SEYLNUMAERYWIV-ZMMAXQRCSA-N 1 0 353.507 2.148 20 30 FEEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2cccc(C#N)c2)C1 ZINC000506399265 561697956 /nfs/dbraw/zinc/69/79/56/561697956.db2.gz TVFANHYMMIVDGL-DNVCBOLYSA-N 1 0 362.433 2.448 20 30 FEEDRO C[NH+](C)[C@H](CNC(=O)N1CCOC[C@@H]1[C@H]1CCCO1)C1CCCCC1 ZINC000329261653 553912766 /nfs/dbraw/zinc/91/27/66/553912766.db2.gz FWYZRVFUFSROSK-KZNAEPCWSA-N 1 0 353.507 2.291 20 30 FEEDRO CC(=O)Nc1ncc(S(=O)(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)s1 ZINC000329278941 553916530 /nfs/dbraw/zinc/91/65/30/553916530.db2.gz MGHUNJPCZSMXFB-ZDUSSCGKSA-N 1 0 372.516 2.390 20 30 FEEDRO CC1(C)CN(C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)CC[C@@H]1O ZINC000329286561 553917976 /nfs/dbraw/zinc/91/79/76/553917976.db2.gz OTAZERBUHHFOMA-KRWDZBQOSA-N 1 0 367.534 2.276 20 30 FEEDRO C[C@H](CNC(=O)[C@H]1CCCN1C(=O)C1CCCC1)C[NH+]1CCN(C)CC1 ZINC000329297564 553920351 /nfs/dbraw/zinc/92/03/51/553920351.db2.gz PCQSQQFXIPZNBX-SJLPKXTDSA-N 1 0 364.534 2.008 20 30 FEEDRO CC(C)N1C[C@H](NC(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)CC1=O ZINC000329324054 553925167 /nfs/dbraw/zinc/92/51/67/553925167.db2.gz VJZJGGRTAKQXDN-ARFHVFGLSA-N 1 0 350.507 2.152 20 30 FEEDRO CC(C)c1nc([C@@H]2COCCN2C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)no1 ZINC000329322750 553925205 /nfs/dbraw/zinc/92/52/05/553925205.db2.gz JQYAKDQZVTVBCI-KFWWJZLASA-N 1 0 363.462 2.107 20 30 FEEDRO O=C(N[C@@H]1CCCS(=O)(=O)C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000329324068 553925343 /nfs/dbraw/zinc/92/53/43/553925343.db2.gz VKJFZJJARVKPLD-QGZVFWFLSA-N 1 0 350.484 2.432 20 30 FEEDRO C=CCc1ccccc1OC[C@H](O)C[NH+]1CCC2(C[C@@H]2C(=O)OC)CC1 ZINC000506558908 561701984 /nfs/dbraw/zinc/70/19/84/561701984.db2.gz BCKGLFKQZZRGIZ-QZTJIDSGSA-N 1 0 359.466 2.430 20 30 FEEDRO CCN1CCOC[C@@H]1C(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000329376995 553934248 /nfs/dbraw/zinc/93/42/48/553934248.db2.gz MACBCEMXQYCUKY-QGZVFWFLSA-N 1 0 367.534 2.477 20 30 FEEDRO C[C@H](CCNC(=O)N1CC[C@@H](C(=O)N2CCCC2)C1)[NH+]1CCCCC1 ZINC000329377100 553934999 /nfs/dbraw/zinc/93/49/99/553934999.db2.gz LVIATZSJOBZPGY-IAGOWNOFSA-N 1 0 350.507 2.109 20 30 FEEDRO CNC(=O)CN1CCC([NH2+][C@@H]2CCN(C(C)=O)Cc3ccccc32)CC1 ZINC000329416538 553942723 /nfs/dbraw/zinc/94/27/23/553942723.db2.gz FTLMWCVYCNWEHE-LJQANCHMSA-N 1 0 358.486 2.120 20 30 FEEDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)Nc3cccc(C(=O)N4CCCC4)c3)[C@@H]2C1 ZINC000329423209 553943554 /nfs/dbraw/zinc/94/35/54/553943554.db2.gz HSEWDRTZBIOOLE-CRAIPNDOSA-N 1 0 356.470 2.494 20 30 FEEDRO COc1cc(C#N)ccc1OCCCC(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000506660961 561705139 /nfs/dbraw/zinc/70/51/39/561705139.db2.gz MGBRLYRIIBNHEZ-UHFFFAOYSA-N 1 0 357.454 2.494 20 30 FEEDRO C[C@H](NC(=O)C[N@@H+]1CCC[C@@H]1C1CCOCC1)C(=O)N1CCCCC1 ZINC000329449144 553949345 /nfs/dbraw/zinc/94/93/45/553949345.db2.gz MMSRTAGRTBRYBA-DOTOQJQBSA-N 1 0 351.491 2.235 20 30 FEEDRO C[C@H](C[NH+]1CCOCC1)C(=O)N[C@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000329455754 553949836 /nfs/dbraw/zinc/94/98/36/553949836.db2.gz MRDMQQHEGKSZKM-KGLIPLIRSA-N 1 0 365.861 2.370 20 30 FEEDRO C[C@@H]1CSCCN(C(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2ccnn2C)C1 ZINC000329481164 553954867 /nfs/dbraw/zinc/95/48/67/553954867.db2.gz PLWIBYRTDURHRN-YQQAZPJKSA-N 1 0 365.547 2.402 20 30 FEEDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)C1 ZINC000506751191 561707734 /nfs/dbraw/zinc/70/77/34/561707734.db2.gz XNALCFNIQVIIHO-DNVCBOLYSA-N 1 0 351.491 2.438 20 30 FEEDRO CC[N@@H+]1CC[C@@H](N(C)CC(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)C[C@@H]1C ZINC000329513490 553960612 /nfs/dbraw/zinc/96/06/12/553960612.db2.gz LMKVFWWWXUVTOQ-DZGCQCFKSA-N 1 0 372.469 2.305 20 30 FEEDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2CCO[C@@]3(CCCOC3)C2)C1 ZINC000329522578 553961555 /nfs/dbraw/zinc/96/15/55/553961555.db2.gz GEUQQQARPAYVGV-MJGOQNOKSA-N 1 0 353.507 2.150 20 30 FEEDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2CC[C@@H](C(=O)N3CCCC3)C2)C1 ZINC000329562238 553968042 /nfs/dbraw/zinc/96/80/42/553968042.db2.gz RRPKWORBIWHTGN-QZTJIDSGSA-N 1 0 364.534 2.213 20 30 FEEDRO C[C@H](C(=O)NCCc1c[nH]c2ccccc12)N1CCN2CCOC[C@H]2C1 ZINC000329664561 553984393 /nfs/dbraw/zinc/98/43/93/553984393.db2.gz JXUFVKAUAYAAND-NVXWUHKLSA-N 1 0 356.470 2.072 20 30 FEEDRO C[C@H](NC(=O)C[N@@H+]1CCC2(CCOCC2)[C@H]1C)C(=O)N1CCCCC1 ZINC000329662447 553984775 /nfs/dbraw/zinc/98/47/75/553984775.db2.gz JCSOGCRLAFKGLC-JKSUJKDBSA-N 1 0 351.491 2.235 20 30 FEEDRO C[C@@H]1C[N@@H+](CCC2CCN(C(=O)N[C@H]3CCCOC3)CC2)C[C@H](C)O1 ZINC000329691845 553990179 /nfs/dbraw/zinc/99/01/79/553990179.db2.gz CAHCCCMQDPSTNZ-JZXOWHBKSA-N 1 0 353.507 2.291 20 30 FEEDRO Cc1ccc(N2CCC[C@H](NC(=O)N[C@@H](C)C[NH+]3CCCCC3)C2)nn1 ZINC000329697769 553991381 /nfs/dbraw/zinc/99/13/81/553991381.db2.gz YOEZWMKLCCWDPX-IRXDYDNUSA-N 1 0 360.506 2.132 20 30 FEEDRO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)N[C@@H]2CCOC3(CCC3)C2)CC1 ZINC000329752399 553999942 /nfs/dbraw/zinc/99/99/42/553999942.db2.gz JMYZHHRLPRGPBA-DOTOQJQBSA-N 1 0 353.507 2.027 20 30 FEEDRO CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@@H]2CCCN(c3ccc(C)nn3)C2)C1 ZINC000329778695 554004005 /nfs/dbraw/zinc/00/40/05/554004005.db2.gz QIGNAFRDEQBRII-IAGOWNOFSA-N 1 0 360.506 2.084 20 30 FEEDRO Cc1nc(C)c(CNC(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)s1 ZINC000329778543 554004089 /nfs/dbraw/zinc/00/40/89/554004089.db2.gz QFDWHXUUQAJAJC-AWEZNQCLSA-N 1 0 352.504 2.264 20 30 FEEDRO CCc1nc(CN2CCN(C(=O)N[C@@H]3CC[N@H+](C)[C@H](C)C3)CC2)cs1 ZINC000329797988 554008072 /nfs/dbraw/zinc/00/80/72/554008072.db2.gz GDKZFBOTZYHAJT-HUUCEWRRSA-N 1 0 365.547 2.220 20 30 FEEDRO C[C@@H]1C[C@@H](NC(=O)N2CCN(C(=O)C3CCCCC3)CC2)CC[N@@H+]1C ZINC000329800658 554008648 /nfs/dbraw/zinc/00/86/48/554008648.db2.gz IUAWODNSWYYWEQ-WBVHZDCISA-N 1 0 350.507 2.108 20 30 FEEDRO Cc1nnc2n1C[C@H](CNC(=O)N1CC[C@H]3CC[C@@H](C1)[N@@H+]3C(C)C)CC2 ZINC000329802530 554008690 /nfs/dbraw/zinc/00/86/90/554008690.db2.gz KLNJZIOMASNZAB-BBWFWOEESA-N 1 0 360.506 2.010 20 30 FEEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)N2CCOC[C@H]2C[C@H](C)O)C1 ZINC000329835370 554014832 /nfs/dbraw/zinc/01/48/32/554014832.db2.gz HJEWQOZJKWZJAD-QFHJOOASSA-N 1 0 361.486 2.208 20 30 FEEDRO CC(C)(C)[C@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)CN1CCOCC1=O ZINC000329836122 554015831 /nfs/dbraw/zinc/01/58/31/554015831.db2.gz HRSBBYWSQGGYKB-SFHVURJKSA-N 1 0 373.497 2.275 20 30 FEEDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)CSc1nnnn1C1CCCC1 ZINC000329846343 554017909 /nfs/dbraw/zinc/01/79/09/554017909.db2.gz QRBWFCBXTMHCMJ-BXUZGUMPSA-N 1 0 350.492 2.320 20 30 FEEDRO CNC(=O)N[C@@H]1CCN(Cc2nnc(-c3cc4c(s3)CCCC4)o2)C1 ZINC000329856159 554019480 /nfs/dbraw/zinc/01/94/80/554019480.db2.gz XXYMSOCJGLBUPL-GFCCVEGCSA-N 1 0 361.471 2.385 20 30 FEEDRO O=C(NC1CCCCC1)N1CCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC000329863860 554021029 /nfs/dbraw/zinc/02/10/29/554021029.db2.gz ZKZPELFFKDZGSX-SFHVURJKSA-N 1 0 362.518 2.252 20 30 FEEDRO O=C(NCCc1cn2c(n1)SCC2)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000329865005 554021267 /nfs/dbraw/zinc/02/12/67/554021267.db2.gz TVSJKLAOHMNOGY-OAHLLOKOSA-N 1 0 350.488 2.131 20 30 FEEDRO C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC000329871157 554022555 /nfs/dbraw/zinc/02/25/55/554022555.db2.gz AMBFWJCDHDTCJJ-KZNAEPCWSA-N 1 0 359.518 2.421 20 30 FEEDRO CC(C)[C@@H](NC(=O)NCc1ccccc1)C(=O)N1CC[NH+]2CCC1CC2 ZINC000329890986 554025866 /nfs/dbraw/zinc/02/58/66/554025866.db2.gz HDVFOZREXSPJEO-GOSISDBHSA-N 1 0 358.486 2.021 20 30 FEEDRO Cc1c([C@H]2OCC[C@@H]2C(=O)NC[C@@]2([NH+](C)C)CCSC2)cnn1C ZINC000329897995 554026872 /nfs/dbraw/zinc/02/68/72/554026872.db2.gz LUCSNBHEFNHVDS-QRTARXTBSA-N 1 0 352.504 2.200 20 30 FEEDRO CN1CC[NH+](CCC(C)(C)NC(=O)CN2CCCCCCC2=O)CC1 ZINC000329946174 554036940 /nfs/dbraw/zinc/03/69/40/554036940.db2.gz GEVOSMFDOODTLG-UHFFFAOYSA-N 1 0 352.523 2.152 20 30 FEEDRO CCO[C@@H]1C[C@H](NC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)C12CCOCC2 ZINC000329993688 554045795 /nfs/dbraw/zinc/04/57/95/554045795.db2.gz YPSHEXVTKUDHTC-WCXIOVBPSA-N 1 0 351.491 2.091 20 30 FEEDRO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cccc(-n2cnc(N(C)C)n2)c1 ZINC000330018079 554050269 /nfs/dbraw/zinc/05/02/69/554050269.db2.gz SFGGTZWHMWGTNK-RHSMWYFYSA-N 1 0 369.473 2.047 20 30 FEEDRO C[C@@H](C(=O)NC1CC[NH+](C(C)(C)C)CC1)S(=O)(=O)C1CCOCC1 ZINC000330034941 554052439 /nfs/dbraw/zinc/05/24/39/554052439.db2.gz BLDKRWOJZVRMAP-ZDUSSCGKSA-N 1 0 360.520 2.188 20 30 FEEDRO C[NH+](C)[C@]1(CNC(=O)[C@H]2CCCN(C(=O)N3CCCC3)C2)CCSC1 ZINC000330042390 554053552 /nfs/dbraw/zinc/05/35/52/554053552.db2.gz GROYKPYQEJYZPM-YJBOKZPZSA-N 1 0 368.547 2.308 20 30 FEEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2cn([C@@H]3CCOC3)nn2)C1 ZINC000330053836 554056081 /nfs/dbraw/zinc/05/60/81/554056081.db2.gz RAJODFRNWWFLQG-HYVNUMGLSA-N 1 0 355.442 2.380 20 30 FEEDRO O=C(CN1CC[NH+](C2CCOCC2)CC1)Nc1nc2c(s1)CCC2 ZINC000330073783 554059760 /nfs/dbraw/zinc/05/97/60/554059760.db2.gz FIBKVQQXMBIBLP-UHFFFAOYSA-N 1 0 350.488 2.016 20 30 FEEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1cn([C@@H]2CCOC2)nn1 ZINC000330078587 554060778 /nfs/dbraw/zinc/06/07/78/554060778.db2.gz FPKGPSDJTHMLLM-NXHRZFHOSA-N 1 0 369.469 2.455 20 30 FEEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(SCCOC)cc1 ZINC000507550287 561732646 /nfs/dbraw/zinc/73/26/46/561732646.db2.gz LRZKUMBSSBFACJ-ZIAGYGMSSA-N 1 0 365.499 2.476 20 30 FEEDRO C[N@H+](CCO)C1CCN(C(=O)NC[C@@H]2CCC3(CCCCC3)O2)CC1 ZINC000330080027 554061351 /nfs/dbraw/zinc/06/13/51/554061351.db2.gz GGYRASMTANWZQO-KRWDZBQOSA-N 1 0 353.507 2.171 20 30 FEEDRO Cc1nn(C)c(-n2ccnc2C)c1C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000330095560 554063288 /nfs/dbraw/zinc/06/32/88/554063288.db2.gz VSPRHFFTLQNDIL-UHFFFAOYSA-N 1 0 356.474 2.402 20 30 FEEDRO C[C@@H]1CN(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)C[C@@]2(CCCOC2)O1 ZINC000330099738 554064598 /nfs/dbraw/zinc/06/45/98/554064598.db2.gz DJKPLDXZGMRTTM-YFVAEKQCSA-N 1 0 373.497 2.445 20 30 FEEDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)N[C@@H]2CC[S@@](=O)C2)CC1 ZINC000330115754 554067342 /nfs/dbraw/zinc/06/73/42/554067342.db2.gz UIDRIKZIZLEHQS-PNIPZHNDSA-N 1 0 355.548 2.398 20 30 FEEDRO CN(C(=O)CNC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1)C1CCCCC1 ZINC000330141001 554072140 /nfs/dbraw/zinc/07/21/40/554072140.db2.gz PTTXVVOIRBDGDB-NVXWUHKLSA-N 1 0 350.507 2.108 20 30 FEEDRO O=C(NCC1(C[NH+]2CCOCC2)CCCCC1)N1CCO[C@@H](C2CC2)C1 ZINC000330190551 554081043 /nfs/dbraw/zinc/08/10/43/554081043.db2.gz WFWJDHPMIPDAQO-GOSISDBHSA-N 1 0 365.518 2.294 20 30 FEEDRO CC(C)[C@@H]1CN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CCS1 ZINC000330210041 554085629 /nfs/dbraw/zinc/08/56/29/554085629.db2.gz CBKSJULFXBKGBN-ZACQAIPSSA-N 1 0 355.548 2.352 20 30 FEEDRO CCn1cc(-c2n[nH]cc2C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)cn1 ZINC000330220595 554087478 /nfs/dbraw/zinc/08/74/78/554087478.db2.gz KYADVMOCLOXQSA-AWEZNQCLSA-N 1 0 372.473 2.099 20 30 FEEDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NC[C@H]1Cc2ccccc2O1 ZINC000330239577 554090995 /nfs/dbraw/zinc/09/09/95/554090995.db2.gz DVSHCYKCIREULM-MAUKXSAKSA-N 1 0 359.470 2.089 20 30 FEEDRO CC[C@H](NC(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)C1CCOCC1 ZINC000330244012 554092184 /nfs/dbraw/zinc/09/21/84/554092184.db2.gz XCDNLBUZINAHAU-KSZLIROESA-N 1 0 353.507 2.073 20 30 FEEDRO O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)N1CCCC[C@H]1c1ncc[nH]1 ZINC000330245836 554092463 /nfs/dbraw/zinc/09/24/63/554092463.db2.gz XYJZIPNCZINPRX-IKGGRYGDSA-N 1 0 361.490 2.229 20 30 FEEDRO Cc1nnc([C@@H]2CN(C(=O)NCC3([NH+](C)C)CCCCCC3)CCO2)[nH]1 ZINC000330306512 554102858 /nfs/dbraw/zinc/10/28/58/554102858.db2.gz RNNCFOSKGCLHAV-HNNXBMFYSA-N 1 0 364.494 2.055 20 30 FEEDRO Cc1c([C@H]2OCC[C@@H]2NC(=O)NC[C@H](C)[NH+]2CCC(C)CC2)cnn1C ZINC000330341802 554108366 /nfs/dbraw/zinc/10/83/66/554108366.db2.gz ZSWRGHSNGHRRQG-JCGIZDLHSA-N 1 0 363.506 2.183 20 30 FEEDRO C[C@H](CC#N)N(C)S(=O)(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000330415287 554118802 /nfs/dbraw/zinc/11/88/02/554118802.db2.gz NQPZRPIDMRXTQG-FMKPAKJESA-N 1 0 370.544 2.199 20 30 FEEDRO CCN([C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)S(=O)(=O)N(C)CCC#N ZINC000330486403 554127726 /nfs/dbraw/zinc/12/77/26/554127726.db2.gz DWCYZPOLLTUUDI-AEFFLSMTSA-N 1 0 364.515 2.234 20 30 FEEDRO CC[C@](C)(C#N)C(=O)N1CCC(C(=O)NCC[NH+](C(C)C)C(C)C)CC1 ZINC000508176250 561754219 /nfs/dbraw/zinc/75/42/19/561754219.db2.gz YOGJJKKLEKLQAS-HXUWFJFHSA-N 1 0 364.534 2.400 20 30 FEEDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000330580922 554141040 /nfs/dbraw/zinc/14/10/40/554141040.db2.gz UJPJWCWZMJMQGC-CABCVRRESA-N 1 0 367.515 2.362 20 30 FEEDRO CSCc1cc(F)ccc1CNC(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000330700979 554159581 /nfs/dbraw/zinc/15/95/81/554159581.db2.gz IUHNLMNCPHKBEO-KBPBESRZSA-N 1 0 369.506 2.490 20 30 FEEDRO CS[C@H]1CN(C(=O)Nc2cccc(NC(C)=O)c2C)C[C@@H]1[NH+](C)C ZINC000330721260 554163370 /nfs/dbraw/zinc/16/33/70/554163370.db2.gz XJOABFXLFPKNOD-HOTGVXAUSA-N 1 0 350.488 2.476 20 30 FEEDRO COCCOc1cc(NC(=O)N2CC[N@H+](C)[C@H](C)[C@H]2C)ccc1OC ZINC000330867731 554180922 /nfs/dbraw/zinc/18/09/22/554180922.db2.gz ABCBDKFKRRUFIB-ZIAGYGMSSA-N 1 0 351.447 2.290 20 30 FEEDRO CCNS(=O)(=O)c1ccc(C)c(C(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000330899989 554185177 /nfs/dbraw/zinc/18/51/77/554185177.db2.gz JNHYNUBGPXUUKC-UONOGXRCSA-N 1 0 353.488 2.081 20 30 FEEDRO CC(C)c1nnc([C@@H]2CN(C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)CCO2)o1 ZINC000330979256 554196803 /nfs/dbraw/zinc/19/68/03/554196803.db2.gz GFIGVWMMPKCCJH-KBPBESRZSA-N 1 0 367.494 2.457 20 30 FEEDRO CC(C)NC(=O)NC1(C(=O)NCC2(C)CC[NH+](C)CC2)CCCCC1 ZINC000331015806 554201436 /nfs/dbraw/zinc/20/14/36/554201436.db2.gz PFNVGWKRFYGNMT-UHFFFAOYSA-N 1 0 352.523 2.449 20 30 FEEDRO COC1(CNC(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)CCC(C)CC1 ZINC000331055978 554207414 /nfs/dbraw/zinc/20/74/14/554207414.db2.gz LBCNEPGDKGFCMX-WUJZJPHMSA-N 1 0 355.523 2.273 20 30 FEEDRO C[C@@H]1CC(C)(C)C[C@](CO)([NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000331099125 554212800 /nfs/dbraw/zinc/21/28/00/554212800.db2.gz CAENOMULJWEFIO-DNVCBOLYSA-N 1 0 364.511 2.499 20 30 FEEDRO CC[C@H](C)n1ncc(NC(=O)N2CC[N@H+](C[C@H](C)O)[C@H](CC)C2)c1C ZINC000331132718 554218922 /nfs/dbraw/zinc/21/89/22/554218922.db2.gz PHPTZCAYSAVYFP-OFQRWUPVSA-N 1 0 351.495 2.485 20 30 FEEDRO C[C@@H]1CN(Cc2ccc(C#N)cc2OC(F)F)CC[N@@H+]1CC(C)(C)O ZINC000331284340 554241250 /nfs/dbraw/zinc/24/12/50/554241250.db2.gz 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C=C[C@@H]1CCCC[N@@H+]1CC(=O)N1CCN(C(=O)Nc2ccccc2)CC1 ZINC000331562906 554285883 /nfs/dbraw/zinc/28/58/83/554285883.db2.gz UBWFNIZBKVVGDQ-GOSISDBHSA-N 1 0 356.470 2.403 20 30 FEEDRO Cc1c(C#N)cccc1C(=O)N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000509159709 561787665 /nfs/dbraw/zinc/78/76/65/561787665.db2.gz AHAFIKGLGONCGY-UHFFFAOYSA-N 1 0 354.498 2.497 20 30 FEEDRO CN(C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1)C(=O)c1ccc(C#N)c(O)c1 ZINC000331730322 554317232 /nfs/dbraw/zinc/31/72/32/554317232.db2.gz OXJDGZQYYDSHOS-QFBILLFUSA-N 1 0 367.453 2.152 20 30 FEEDRO C=CC[C@@H]1N(C(=O)C(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)CCCC1(C)C ZINC000332412702 554441979 /nfs/dbraw/zinc/44/19/79/554441979.db2.gz OXTFPFNUFTXAEA-KURKYZTESA-N 1 0 361.530 2.428 20 30 FEEDRO C[NH+](C)C[C@@H](NC(=O)C(=O)Nc1ccc(F)cc1C#N)c1ccc(F)cc1 ZINC000510016437 561822238 /nfs/dbraw/zinc/82/22/38/561822238.db2.gz GOWFONBTHPKCLD-QGZVFWFLSA-N 1 0 372.375 2.194 20 30 FEEDRO C[C@@H]1COCC[C@@H]1CNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000510616498 561840909 /nfs/dbraw/zinc/84/09/09/561840909.db2.gz OPCPXEAWRZQOFY-VQIMIIECSA-N 1 0 358.486 2.304 20 30 FEEDRO N#CC1CCC(CNC(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000333037190 554562403 /nfs/dbraw/zinc/56/24/03/554562403.db2.gz IVYMMZBRLKXCNV-HWMSQKFYSA-N 1 0 362.518 2.383 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N[C@H]2CCOC3(CCSCC3)C2)CC1 ZINC000333439756 554613472 /nfs/dbraw/zinc/61/34/72/554613472.db2.gz LQNVPULMEOJPGD-INIZCTEOSA-N 1 0 353.532 2.381 20 30 FEEDRO C=CCOC[C@@H]1NC(=O)N(C2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)C1=O ZINC000348586302 554689867 /nfs/dbraw/zinc/68/98/67/554689867.db2.gz KYVVZHSUYTTYNT-BQFCYCMXSA-N 1 0 371.481 2.266 20 30 FEEDRO N#C[C@@H]1CCC[C@@H]([NH2+]CCNS(=O)(=O)c2ccc(F)cc2Cl)C1 ZINC000511033407 561854404 /nfs/dbraw/zinc/85/44/04/561854404.db2.gz UNUOIQGHQGXPAR-DGCLKSJQSA-N 1 0 359.854 2.429 20 30 FEEDRO CCN1CCN(S(=O)(=O)c2ccc(C#N)c(Br)c2)[C@@H](C)C1 ZINC000511279839 561863739 /nfs/dbraw/zinc/86/37/39/561863739.db2.gz KEWVICMGEGUOSA-NSHDSACASA-N 1 0 372.288 2.035 20 30 FEEDRO C=CCN([C@@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)C[C@H]1CCOC1 ZINC000359912234 554856598 /nfs/dbraw/zinc/85/65/98/554856598.db2.gz YTURMLCUVVQKFN-RBUKOAKNSA-N 1 0 364.511 2.115 20 30 FEEDRO N#Cc1ccc(OCCC[N@H+]2CCCN(C(=O)[C@@H]3CCCO3)CC2)cc1 ZINC000360192451 554866540 /nfs/dbraw/zinc/86/65/40/554866540.db2.gz GSQWGYDNVJAREY-IBGZPJMESA-N 1 0 357.454 2.040 20 30 FEEDRO CCOc1ccc(N(CCC#N)C(=O)CN2CC[N@H+](CC)C[C@@H]2C)cc1 ZINC000511562995 561872477 /nfs/dbraw/zinc/87/24/77/561872477.db2.gz AJXODEBBAVDQSH-KRWDZBQOSA-N 1 0 358.486 2.358 20 30 FEEDRO C=CCN(C(=O)C(=O)c1cnn(CC)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000363162337 555043596 /nfs/dbraw/zinc/04/35/96/555043596.db2.gz IVHJDNWILJUMEO-LJQANCHMSA-N 1 0 366.465 2.375 20 30 FEEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000363390185 555093067 /nfs/dbraw/zinc/09/30/67/555093067.db2.gz IPFXEMDCTFJKJE-KRWDZBQOSA-N 1 0 357.502 2.479 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2ccnc(-n3cccn3)c2)CC1 ZINC000363394168 555094086 /nfs/dbraw/zinc/09/40/86/555094086.db2.gz ZVHBHQUIVPMKLJ-UHFFFAOYSA-N 1 0 354.458 2.107 20 30 FEEDRO C=CCOc1ccc(C[NH2+]C2CCN(c3nnnn3C)CC2)cc1Cl ZINC000363490712 555118945 /nfs/dbraw/zinc/11/89/45/555118945.db2.gz SIIQFHRMDXFDSN-UHFFFAOYSA-N 1 0 362.865 2.187 20 30 FEEDRO N#CCCCOc1cccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000363944159 555219101 /nfs/dbraw/zinc/21/91/01/555219101.db2.gz KPLVQEZAAQAZPC-IAGOWNOFSA-N 1 0 370.453 2.051 20 30 FEEDRO CC(=O)N1CCC[C@H]1[C@@H]1CCC[N@H+]1CC(=O)N(C)C1(C#N)CCCCC1 ZINC000364019607 555234627 /nfs/dbraw/zinc/23/46/27/555234627.db2.gz LWMMPZHESFAIHS-ROUUACIJSA-N 1 0 360.502 2.147 20 30 FEEDRO CN(C(=O)[C@H]1CC12CC[NH+](Cc1cnc3ccc(C#N)cn13)CC2)C1CC1 ZINC000364032115 555236733 /nfs/dbraw/zinc/23/67/33/555236733.db2.gz HQUNHIZQNKVFQD-GOSISDBHSA-N 1 0 363.465 2.429 20 30 FEEDRO C[NH+]1CCC2(CCCN2C(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)CC1 ZINC000364769805 555397927 /nfs/dbraw/zinc/39/79/27/555397927.db2.gz LHIFWGJBOMLTMF-UHFFFAOYSA-N 1 0 360.845 2.237 20 30 FEEDRO C[C@H](CO)[N@@H+]1CCCN(CC#Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000364898249 555429783 /nfs/dbraw/zinc/42/97/83/555429783.db2.gz VIAGRLXLXXTOCG-OAHLLOKOSA-N 1 0 356.388 2.325 20 30 FEEDRO C[C@@H](CO)[N@@H+]1CCCN(C(=O)Nc2cc(C#N)ccc2OC(F)F)CC1 ZINC000365004032 555462736 /nfs/dbraw/zinc/46/27/36/555462736.db2.gz WFIFHCAVKYLOLT-LBPRGKRZSA-N 1 0 368.384 2.080 20 30 FEEDRO N#Cc1ncn(CC[NH2+]Cc2cc(Cl)ccc2OC[C@@H]2CCCO2)n1 ZINC000512892696 561919033 /nfs/dbraw/zinc/91/90/33/561919033.db2.gz XMCOMGNSTVKTKS-HNNXBMFYSA-N 1 0 361.833 2.151 20 30 FEEDRO CN1C(=O)C[C@H]([NH2+]CC(=O)NC2(C#N)CCCCC2)[C@@H]1c1ccc(F)cc1 ZINC000365192126 555506731 /nfs/dbraw/zinc/50/67/31/555506731.db2.gz VHFLVWRJPZAYED-LPHOPBHVSA-N 1 0 372.444 2.030 20 30 FEEDRO N#Cc1ccc(Br)c(CN2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c1 ZINC000365201869 555509816 /nfs/dbraw/zinc/50/98/16/555509816.db2.gz KGUICNGCNKOCGO-SJORKVTESA-N 1 0 364.287 2.352 20 30 FEEDRO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1NC(=O)NCc1cccc(C#N)c1 ZINC000365336494 555546573 /nfs/dbraw/zinc/54/65/73/555546573.db2.gz MXYVGVVWHDININ-MNEFBYGVSA-N 1 0 356.470 2.247 20 30 FEEDRO CC(C)(CCC#N)CNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000513112933 561925600 /nfs/dbraw/zinc/92/56/00/561925600.db2.gz HMNCFNBFBVRWLY-OALUTQOASA-N 1 0 372.513 2.499 20 30 FEEDRO CC(C)(CCC#N)CNC(=O)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000513114242 561925943 /nfs/dbraw/zinc/92/59/43/561925943.db2.gz YZWNULQRQNEQBE-FQEVSTJZSA-N 1 0 358.486 2.253 20 30 FEEDRO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1NC(=O)c1c(F)cc(C#N)cc1F ZINC000365959307 555711369 /nfs/dbraw/zinc/71/13/69/555711369.db2.gz IQTDRAAYHNYREN-IFIJOSMWSA-N 1 0 363.408 2.456 20 30 FEEDRO Cc1c(C#N)cccc1C(=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000513806373 561950692 /nfs/dbraw/zinc/95/06/92/561950692.db2.gz IABQVPCZXJGGKC-FPOVZHCZSA-N 1 0 363.461 2.480 20 30 FEEDRO C=CCc1ccc(OCC(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)c(OC)c1 ZINC000366191929 555777037 /nfs/dbraw/zinc/77/70/37/555777037.db2.gz MLRKSAWURORGOO-SFHVURJKSA-N 1 0 374.481 2.172 20 30 FEEDRO N#Cc1cc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2CO)ccc1F ZINC000366203498 555780816 /nfs/dbraw/zinc/78/08/16/555780816.db2.gz KSTWGUIQKKSQMG-YLJYHZDGSA-N 1 0 367.424 2.310 20 30 FEEDRO Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[NH+]1CCC(n2cnc(C#N)n2)CC1 ZINC000366370439 555824528 /nfs/dbraw/zinc/82/45/28/555824528.db2.gz BWRDDIZRJABQPP-HOTGVXAUSA-N 1 0 366.469 2.361 20 30 FEEDRO N#CCC1(CNC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000366607625 555888763 /nfs/dbraw/zinc/88/87/63/555888763.db2.gz KIHSSFCJORLDQI-SFHVURJKSA-N 1 0 356.470 2.271 20 30 FEEDRO COc1cc(C[NH2+][C@H]2CCCN(c3ccccc3C(N)=O)C2)ccc1C#N ZINC000366926862 555972239 /nfs/dbraw/zinc/97/22/39/555972239.db2.gz KLCDGFPHHVOHGD-KRWDZBQOSA-N 1 0 364.449 2.424 20 30 FEEDRO C[C@@H](CC#N)N(C)S(=O)(=O)N(C)C1CC[NH+](C2CCC(C)CC2)CC1 ZINC000367172886 556003086 /nfs/dbraw/zinc/00/30/86/556003086.db2.gz OEUWJVMVNVRQFG-PQUAAJSLSA-N 1 0 370.563 2.440 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@H](c2ccccc2)[C@H]2CCOC2)nc1 ZINC000367307794 556014225 /nfs/dbraw/zinc/01/42/25/556014225.db2.gz LHBDKYWCWDEMRW-PKOBYXMFSA-N 1 0 371.462 2.094 20 30 FEEDRO CC(C)(C)OC(=O)NCCOCC[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000367706369 556119308 /nfs/dbraw/zinc/11/93/08/556119308.db2.gz SHWUPQVEYDEZSZ-UHFFFAOYSA-N 1 0 374.485 2.480 20 30 FEEDRO Cc1cn2c(n1)CC[C@H](NC(=O)[C@@H]1CCN(c3ccc(C#N)cc3F)C1)C2 ZINC000367721005 556122835 /nfs/dbraw/zinc/12/28/35/556122835.db2.gz NCEDXFIWYUAIEP-CVEARBPZSA-N 1 0 367.428 2.160 20 30 FEEDRO C[C@@H]1C[C@H](C)C[N@H+](C2CCN(S(=O)(=O)c3ccc(C#N)o3)CC2)C1 ZINC000367745431 556128596 /nfs/dbraw/zinc/12/85/96/556128596.db2.gz FKQFJRYTIFDROC-OKILXGFUSA-N 1 0 351.472 2.282 20 30 FEEDRO C[NH+](C)[C@H]1CCN(C(=O)C2CCN(c3c(F)cc(C#N)cc3F)CC2)C1 ZINC000367761781 556132725 /nfs/dbraw/zinc/13/27/25/556132725.db2.gz USEBSTTYJICLSV-HNNXBMFYSA-N 1 0 362.424 2.215 20 30 FEEDRO N#CCCCC[NH+]1CCN([C@@H]2CCCN(Cc3ccccc3)C2=O)CC1 ZINC000367981476 556187180 /nfs/dbraw/zinc/18/71/80/556187180.db2.gz JUPDQAILOZXOJM-HXUWFJFHSA-N 1 0 354.498 2.489 20 30 FEEDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)c1ccc(C#N)cc1F ZINC000532108384 562467191 /nfs/dbraw/zinc/46/71/91/562467191.db2.gz OVWRRRGQJCDLPV-MJBXVCDLSA-N 1 0 353.463 2.342 20 30 FEEDRO N#CCCN(C(=O)CN1CCCC[C@@H]1C(=[NH2+])NO)c1cccc(Cl)c1 ZINC000368523276 556334767 /nfs/dbraw/zinc/33/47/67/556334767.db2.gz DQRXYOVOWSUQQC-OAHLLOKOSA-N 1 0 363.849 2.397 20 30 FEEDRO C#CCNC(=O)CN1CCCN(C(=O)c2cc3cccc(C)c3s2)CC1 ZINC000368594197 556356757 /nfs/dbraw/zinc/35/67/57/556356757.db2.gz ROIWZCXSWNICTC-UHFFFAOYSA-N 1 0 369.490 2.107 20 30 FEEDRO C[C@@H]1CN(C(=O)C2(c3ccc(C#N)cc3)CC2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000368712196 556394651 /nfs/dbraw/zinc/39/46/51/556394651.db2.gz LAYWTGCQDYERGP-YLJYHZDGSA-N 1 0 366.509 2.074 20 30 FEEDRO Cc1cc(NC(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)nn1-c1cccc(C#N)c1 ZINC000368800885 556416354 /nfs/dbraw/zinc/41/63/54/556416354.db2.gz SWNHKEFTTJSULB-WMZOPIPTSA-N 1 0 364.453 2.610 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N2CCC(C(=O)N(C)c3ccccc3)CC2)CC1 ZINC000368830052 556424655 /nfs/dbraw/zinc/42/46/55/556424655.db2.gz RAQLGKQLELLZEL-UHFFFAOYSA-N 1 0 367.493 2.233 20 30 FEEDRO COC(=O)c1cccc(C[NH2+][C@H](C2CCOCC2)C2(CO)CCC2)c1C#N ZINC000515639566 562018120 /nfs/dbraw/zinc/01/81/20/562018120.db2.gz DOLUAPQJLFCMBQ-LJQANCHMSA-N 1 0 372.465 2.392 20 30 FEEDRO C=CCSc1ccccc1NC(=O)CN1CCC[N@@H+]([C@H](C)CO)CC1 ZINC000368962673 556460921 /nfs/dbraw/zinc/46/09/21/556460921.db2.gz CFUAYGRXWCHTOL-MRXNPFEDSA-N 1 0 363.527 2.292 20 30 FEEDRO N#Cc1ccc(NC(=O)CC[N@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)cc1Cl ZINC000368975633 556464704 /nfs/dbraw/zinc/46/47/04/556464704.db2.gz RSUSGORMQDKHGK-DXCKQFNASA-N 1 0 360.845 2.126 20 30 FEEDRO Cc1nc(CO[C@H]2CC[N@H+](C[C@H](O)COc3ccc(C#N)cc3)C2)cs1 ZINC000368998694 556472361 /nfs/dbraw/zinc/47/23/61/556472361.db2.gz BJSFVBGORLQORR-HKUYNNGSSA-N 1 0 373.478 2.354 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)COc2ccc(F)cc2Cl)c1C#N ZINC000516151539 562032782 /nfs/dbraw/zinc/03/27/82/562032782.db2.gz ZRWSISHXCZRFNS-UHFFFAOYSA-N 1 0 365.796 2.243 20 30 FEEDRO C#CCSCCNC(=O)N[C@H]1CC[N@@H+](Cc2cnc(C)s2)C[C@H]1C ZINC000369612242 556647698 /nfs/dbraw/zinc/64/76/98/556647698.db2.gz OFNKVINXWAUIGT-CJNGLKHVSA-N 1 0 366.556 2.328 20 30 FEEDRO C[NH+]1CCC2(CCCN(S(=O)(=O)c3ccc(F)cc3C#N)C2)CC1 ZINC000369720419 556677283 /nfs/dbraw/zinc/67/72/83/556677283.db2.gz HYPLZEKNTSTZOC-UHFFFAOYSA-N 1 0 351.447 2.194 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)[C@@H]2CCN(c3cc(C)cc(C)c3)C2=O)CC1 ZINC000369757999 556686532 /nfs/dbraw/zinc/68/65/32/556686532.db2.gz RPIHTGAFECFWSN-FQEVSTJZSA-N 1 0 367.493 2.260 20 30 FEEDRO COc1cc(CNC(=O)[C@H]([NH3+])CCCC#N)ccc1OCc1cccnc1 ZINC000516460595 562043601 /nfs/dbraw/zinc/04/36/01/562043601.db2.gz RSUJDKBEZGERAH-QGZVFWFLSA-N 1 0 368.437 2.307 20 30 FEEDRO C[N@H+](CC(=O)NCc1cccc(C#N)c1)C1CCN(c2ccccn2)CC1 ZINC000369899265 556724620 /nfs/dbraw/zinc/72/46/20/556724620.db2.gz FSMAFXUKFYSPSG-UHFFFAOYSA-N 1 0 363.465 2.170 20 30 FEEDRO CN(CCC[NH+]1CCN(C)CC1)Cc1ncc(-c2ccc(C#N)cc2)o1 ZINC000369904798 556726557 /nfs/dbraw/zinc/72/65/57/556726557.db2.gz QZALAFVRGRZVEO-UHFFFAOYSA-N 1 0 353.470 2.283 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)[C@@H]2CCCN2Cc2ccc(F)cc2)CC1 ZINC000370015851 556758314 /nfs/dbraw/zinc/75/83/14/556758314.db2.gz FZFYTVXJGGYNTI-FQEVSTJZSA-N 1 0 357.473 2.394 20 30 FEEDRO C[NH+](C)C[C@H]1CN(C(=O)COc2ccccc2C#N)c2ccccc2O1 ZINC000370503316 556892582 /nfs/dbraw/zinc/89/25/82/556892582.db2.gz RGMFTRHWBSPOLX-INIZCTEOSA-N 1 0 351.406 2.293 20 30 FEEDRO N#Cc1ccsc1NC(=O)CN1CCC(C(=O)Nc2cccnc2)CC1 ZINC000370752822 556957642 /nfs/dbraw/zinc/95/76/42/556957642.db2.gz BKNKGDBLIWEMCI-UHFFFAOYSA-N 1 0 369.450 2.304 20 30 FEEDRO C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@@H]1CCCN(Cc2noc(C3CC3)n2)C1 ZINC000370884791 557002010 /nfs/dbraw/zinc/00/20/10/557002010.db2.gz CQRROQOZFNEEKF-DOTOQJQBSA-N 1 0 373.501 2.090 20 30 FEEDRO CC[NH+](CC)CCOc1ccc(C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1 ZINC000371000544 557041290 /nfs/dbraw/zinc/04/12/90/557041290.db2.gz QHHDBFPSGNDUMD-IBGZPJMESA-N 1 0 370.497 2.220 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNc1ccc(S(=O)(=O)NC)cn1)C(C)C ZINC000517162516 562077939 /nfs/dbraw/zinc/07/79/39/562077939.db2.gz AURYJSZDHKQHLZ-MRXNPFEDSA-N 1 0 352.504 2.100 20 30 FEEDRO COc1ccc(CN2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cc1OCCCC#N ZINC000371325386 557147528 /nfs/dbraw/zinc/14/75/28/557147528.db2.gz DMDGGNMUBBRIEI-RTBURBONSA-N 1 0 373.497 2.409 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N2CCC3(C[C@@H]3C(=O)N3CCCC3)CC2)CC1 ZINC000371393949 557172574 /nfs/dbraw/zinc/17/25/74/557172574.db2.gz VFSCUHRKDOHXPZ-GOSISDBHSA-N 1 0 374.529 2.071 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@@H]1CCO[C@]2(CCOC2)C1)C(C)C ZINC000371431142 557185541 /nfs/dbraw/zinc/18/55/41/557185541.db2.gz MWDPYIHEMPPIGH-QWFCFKBJSA-N 1 0 365.518 2.322 20 30 FEEDRO C#CCOc1ccc([C@H](C)[NH2+]C[C@H]2CCC[C@@]23NC(=O)N(C)C3=O)cc1 ZINC000371479803 557193981 /nfs/dbraw/zinc/19/39/81/557193981.db2.gz JTHQCWSNAIQTJN-YYFZDKIDSA-N 1 0 355.438 2.070 20 30 FEEDRO C[N@H+]1CC=C(CNC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)CC1 ZINC000371509419 557204865 /nfs/dbraw/zinc/20/48/65/557204865.db2.gz OZLXJUDSAJRHFX-KRWDZBQOSA-N 1 0 371.460 2.227 20 30 FEEDRO N#Cc1cc(S(=O)(=O)N[C@H]2CC[NH2+]C23CCC3)ccc1C(F)(F)F ZINC000528053512 562312669 /nfs/dbraw/zinc/31/26/69/562312669.db2.gz XSMUWDYCOAXOCU-ZDUSSCGKSA-N 1 0 359.373 2.140 20 30 FEEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCCN(c3nccn4cnnc34)C1)CC2 ZINC000517786252 562098088 /nfs/dbraw/zinc/09/80/88/562098088.db2.gz PUVMEXFRHUPIHR-VQIMIIECSA-N 1 0 373.464 2.489 20 30 FEEDRO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 ZINC000371706743 557270160 /nfs/dbraw/zinc/27/01/60/557270160.db2.gz KQQDPXWWJFFRCA-HNNXBMFYSA-N 1 0 370.432 2.831 20 30 FEEDRO Cn1cc([C@H]2[C@@H](CNC(=O)c3c(F)cc(C#N)cc3F)CCC[N@@H+]2C)cn1 ZINC000371897221 557323503 /nfs/dbraw/zinc/32/35/03/557323503.db2.gz KMXHRTLKDPSYLC-FZKQIMNGSA-N 1 0 373.407 2.383 20 30 FEEDRO COCCn1ncc2c1[C@H]([NH2+]Cc1cnc3ccc(C#N)cn13)CCC2 ZINC000371952453 557337475 /nfs/dbraw/zinc/33/74/75/557337475.db2.gz GDXZWBXEMGSTIN-QGZVFWFLSA-N 1 0 350.426 2.216 20 30 FEEDRO C[C@@H](C(=O)N1CCC(Nc2ccc(C#N)cn2)CC1)[NH+]1CCCCCC1 ZINC000372120308 557384769 /nfs/dbraw/zinc/38/47/69/557384769.db2.gz MSVABRYNZYRVSO-INIZCTEOSA-N 1 0 355.486 2.621 20 30 FEEDRO C[C@@H]1C[C@H](NC(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)C[N@@H+]1C1CC1 ZINC000372348832 557447331 /nfs/dbraw/zinc/44/73/31/557447331.db2.gz YHTNVFWTEFOCEM-DKSSEZFCSA-N 1 0 354.454 2.266 20 30 FEEDRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)C(C)(C)c1cc(F)cc(C#N)c1 ZINC000519170072 562126532 /nfs/dbraw/zinc/12/65/32/562126532.db2.gz IWRWCJAVNQCSRG-HNNXBMFYSA-N 1 0 360.477 2.117 20 30 FEEDRO C#CCOc1ccccc1C[NH+]1CCC(CC(=O)N2CCOCC2)CC1 ZINC000372413300 557464610 /nfs/dbraw/zinc/46/46/10/557464610.db2.gz JLHJVPXALNAYMP-UHFFFAOYSA-N 1 0 356.466 2.160 20 30 FEEDRO C#CCN(Cc1ccc(F)cc1)C(=O)NC[C@H]1CCC[C@H]1[NH+]1CCOCC1 ZINC000372563410 557505964 /nfs/dbraw/zinc/50/59/64/557505964.db2.gz KFEATKLVWIPOOD-UYAOXDASSA-N 1 0 373.472 2.471 20 30 FEEDRO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CC[C@@]2(C1)CCCN(C)C2=O ZINC000372901535 557585113 /nfs/dbraw/zinc/58/51/13/557585113.db2.gz GCVMCSDAZAALRY-BFUOFWGJSA-N 1 0 374.872 2.483 20 30 FEEDRO N#CCCN(C(=O)C[NH2+][C@H]1CCCC[C@@H]1N1CCOCC1)c1ccccc1 ZINC000373119554 557632878 /nfs/dbraw/zinc/63/28/78/557632878.db2.gz ZKBJKHWWPPRGRV-PMACEKPBSA-N 1 0 370.497 2.166 20 30 FEEDRO C=CCN1C(=O)c2ccc(C(=O)NC[C@@H]3CCC[N@@H+](C(C)C)C3)cc2C1=O ZINC000520150847 562149698 /nfs/dbraw/zinc/14/96/98/562149698.db2.gz QOHGKTAXGMCWCY-HNNXBMFYSA-N 1 0 369.465 2.319 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N2C[C@@H](CC)O[C@]3(CCCOC3)C2)CC1 ZINC000373492471 557704024 /nfs/dbraw/zinc/70/40/24/557704024.db2.gz DQMLDUDEPKHXBX-UYAOXDASSA-N 1 0 365.518 2.397 20 30 FEEDRO C=CCN1CC[C@H]([N@@H+](C)[C@H]2CCN(c3cc(OC)cc(OC)c3)C2)C1=O ZINC000374110059 557825125 /nfs/dbraw/zinc/82/51/25/557825125.db2.gz URHXHSLMQTYVPU-KXBFYZLASA-N 1 0 359.470 2.001 20 30 FEEDRO Cc1c(C#N)cccc1NC(=O)C(=O)N1CCCC2(CC[NH+](C)CC2)C1 ZINC000374185741 557840170 /nfs/dbraw/zinc/84/01/70/557840170.db2.gz ZEGMTXJWSYIGEL-UHFFFAOYSA-N 1 0 354.454 2.140 20 30 FEEDRO COc1cc(C#N)ccc1OCCN1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000374417492 557881264 /nfs/dbraw/zinc/88/12/64/557881264.db2.gz AVLAVWBTOHKZKS-JENIJYKNSA-N 1 0 359.470 2.129 20 30 FEEDRO C=CCN(C(=O)c1c(C)nn(C)c1N)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000375036256 557967951 /nfs/dbraw/zinc/96/79/51/557967951.db2.gz HZOUVQCSDPRXHG-QGZVFWFLSA-N 1 0 353.470 2.213 20 30 FEEDRO CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc(CC#N)cc1 ZINC000375263222 558000910 /nfs/dbraw/zinc/00/09/10/558000910.db2.gz IECQNEQBNVDJKO-QFIPXVFZSA-N 1 0 363.461 2.462 20 30 FEEDRO COc1ccccc1N1CC[C@H]([NH2+]Cc2cnc3ccc(C#N)cn23)C1=O ZINC000375315056 558008017 /nfs/dbraw/zinc/00/80/17/558008017.db2.gz XHZYUKYLNYTKAD-INIZCTEOSA-N 1 0 361.405 2.110 20 30 FEEDRO C(#CC[N@@H+]1CCC[C@H](n2cccn2)C1)CN1CCC[C@H](n2cccn2)C1 ZINC000375386545 558019175 /nfs/dbraw/zinc/01/91/75/558019175.db2.gz IQQNJXLYWCWPFO-PMACEKPBSA-N 1 0 352.486 2.057 20 30 FEEDRO C(#CC[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1)CN1CCC[C@@H](c2cc[nH]n2)C1 ZINC000375473795 558033678 /nfs/dbraw/zinc/03/36/78/558033678.db2.gz OMWDKPVUBJINMF-QZTJIDSGSA-N 1 0 352.486 2.195 20 30 FEEDRO CN(CCC#N)C(=O)CC[N@@H+]1CCC12CCN(C(=O)OC(C)(C)C)CC2 ZINC000375707029 558070433 /nfs/dbraw/zinc/07/04/33/558070433.db2.gz VUFVWWZGJGNVMV-UHFFFAOYSA-N 1 0 364.490 2.224 20 30 FEEDRO CCC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1CC(=O)NCc1cccc(C#N)c1 ZINC000375790754 558079768 /nfs/dbraw/zinc/07/97/68/558079768.db2.gz LDQNXYIMJGCBHM-RBUKOAKNSA-N 1 0 368.481 2.040 20 30 FEEDRO N#Cc1ccc(N2CCC([NH2+]C[C@H]3CN4CCCC[C@H]4CO3)CC2)cc1 ZINC000375896762 558095459 /nfs/dbraw/zinc/09/54/59/558095459.db2.gz ZUOBGTDPYJSCLF-SFTDATJTSA-N 1 0 354.498 2.370 20 30 FEEDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000376572449 558192386 /nfs/dbraw/zinc/19/23/86/558192386.db2.gz GQOPIYFKHUSLNC-YOEHRIQHSA-N 1 0 365.441 2.229 20 30 FEEDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000376571591 558192456 /nfs/dbraw/zinc/19/24/56/558192456.db2.gz BWSWIEHUAZTECJ-PBHICJAKSA-N 1 0 365.441 2.229 20 30 FEEDRO C=CCN(C(=O)NCCCC(=O)N(C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000376923178 558239764 /nfs/dbraw/zinc/23/97/64/558239764.db2.gz OVUVADDFDXAATC-IBGZPJMESA-N 1 0 372.513 2.327 20 30 FEEDRO C[NH+](C)CCN(C(=O)c1ccc(-n2ncc(C#N)c2N)cc1)C1CCCC1 ZINC000522191609 562193794 /nfs/dbraw/zinc/19/37/94/562193794.db2.gz VQFPPBYNJWQGBA-UHFFFAOYSA-N 1 0 366.469 2.273 20 30 FEEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CC[C@@H](CC(N)=O)C2)c1 ZINC000377490136 558350092 /nfs/dbraw/zinc/35/00/92/558350092.db2.gz KQOOTEAOBSILOR-SJORKVTESA-N 1 0 356.470 2.136 20 30 FEEDRO N#CCCn1cc(CN2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)c(-c2ccccc2)n1 ZINC000377703777 558401300 /nfs/dbraw/zinc/40/13/00/558401300.db2.gz QXNTYALEOREMBC-FUHWJXTLSA-N 1 0 370.478 2.083 20 30 FEEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000377735138 558407886 /nfs/dbraw/zinc/40/78/86/558407886.db2.gz UHDVRUYPEIWRIQ-ZWKOTPCHSA-N 1 0 372.469 2.408 20 30 FEEDRO N#CCCCCS(=O)(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000377770844 558416900 /nfs/dbraw/zinc/41/69/00/558416900.db2.gz QWQQALBUDWGGAF-OALUTQOASA-N 1 0 361.511 2.464 20 30 FEEDRO COCCn1cc(C[NH2+]CC2CCN(c3ccccc3C#N)CC2)cn1 ZINC000377889586 558442150 /nfs/dbraw/zinc/44/21/50/558442150.db2.gz WOYQZSNTNMKADF-UHFFFAOYSA-N 1 0 353.470 2.407 20 30 FEEDRO C#Cc1ccccc1CC(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000377926535 558449054 /nfs/dbraw/zinc/44/90/54/558449054.db2.gz NGLFSTXSTHSKBF-UHFFFAOYSA-N 1 0 353.510 2.277 20 30 FEEDRO Cn1cc(C[N@@H+]2CCCN(c3ncccn3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000378491144 558568607 /nfs/dbraw/zinc/56/86/07/558568607.db2.gz FRAHWJDWRVXGOV-UHFFFAOYSA-N 1 0 373.464 2.461 20 30 FEEDRO C[C@H](C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1)n1cnc(C#N)n1 ZINC000409610099 558707325 /nfs/dbraw/zinc/70/73/25/558707325.db2.gz ZAUYUZSKNOVJGZ-MRXNPFEDSA-N 1 0 366.469 2.403 20 30 FEEDRO C[C@@H](C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)n1cnc(C#N)n1 ZINC000409747428 558718297 /nfs/dbraw/zinc/71/82/97/558718297.db2.gz MZVPQNLNRXQTTN-RYRKJORJSA-N 1 0 366.469 2.222 20 30 FEEDRO CCN(C[C@@H](C)C#N)S(=O)(=O)NC[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000410161736 558743404 /nfs/dbraw/zinc/74/34/04/558743404.db2.gz LYVGCVCSRQOCBA-FUHWJXTLSA-N 1 0 370.563 2.347 20 30 FEEDRO CC[N@H+](CCC1CCN(C(=O)C(=O)N2CCC(C#N)CC2)CC1)CC1CC1 ZINC000410435638 558757750 /nfs/dbraw/zinc/75/77/50/558757750.db2.gz QCSPXRSLJUOWAN-UHFFFAOYSA-N 1 0 374.529 2.109 20 30 FEEDRO C[C@H](Oc1cccc(Br)c1)C(=O)NC1(C#N)CC[NH+](C)CC1 ZINC000525167081 562241732 /nfs/dbraw/zinc/24/17/32/562241732.db2.gz AWKQGVONEMTAEV-LBPRGKRZSA-N 1 0 366.259 2.321 20 30 FEEDRO CCOC(=O)[C@@H](CC)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000411203419 558852671 /nfs/dbraw/zinc/85/26/71/558852671.db2.gz ZAKLUQCNSYGZIA-SFHVURJKSA-N 1 0 357.454 2.182 20 30 FEEDRO C=CC[N@@H+](C)CCN(CC)CC(=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000411648119 558935545 /nfs/dbraw/zinc/93/55/45/558935545.db2.gz ZKGYCYAQCGMPFD-UHFFFAOYSA-N 1 0 354.498 2.492 20 30 FEEDRO CN(C)C(=O)[C@@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)C1 ZINC000411935879 558991125 /nfs/dbraw/zinc/99/11/25/558991125.db2.gz LCABHTDAHAGURO-CYBMUJFWSA-N 1 0 374.510 2.237 20 30 FEEDRO C[C@@H]1CN(CC(=O)NCc2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000411982937 558998971 /nfs/dbraw/zinc/99/89/71/558998971.db2.gz KYEVVRSHMZQCIT-GOSISDBHSA-N 1 0 362.477 2.381 20 30 FEEDRO C=CCNC(=O)NC(=O)C[NH2+][C@H](c1ccccc1)C1(CO)CCCCC1 ZINC000412003764 559001342 /nfs/dbraw/zinc/00/13/42/559001342.db2.gz BFYLEKSBHSJGRN-GOSISDBHSA-N 1 0 359.470 2.272 20 30 FEEDRO COC(=O)[C@@H]1CSCC[N@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000412086035 559011555 /nfs/dbraw/zinc/01/15/55/559011555.db2.gz UXRNTQIIQFNCOD-KRWDZBQOSA-N 1 0 370.478 2.297 20 30 FEEDRO C[C@@H]1[C@@H](CO)CCC[N@@H+]1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000412100077 559013470 /nfs/dbraw/zinc/01/34/70/559013470.db2.gz XEOJJCXTJBIWEJ-GDBMZVCRSA-N 1 0 368.399 2.266 20 30 FEEDRO CC(C)[C@H](CNC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)[NH+]1CCN(C)CC1 ZINC000412145366 559016794 /nfs/dbraw/zinc/01/67/94/559016794.db2.gz INXUGSHWFXHZKJ-ZCNNSNEGSA-N 1 0 354.498 2.050 20 30 FEEDRO C=CCNc1ncc(C(=O)N(CC[NH+](C)C)Cc2ccsc2)s1 ZINC000412414316 559033964 /nfs/dbraw/zinc/03/39/64/559033964.db2.gz HQCGFYVUUOIBMM-UHFFFAOYSA-N 1 0 350.513 3.007 20 30 FEEDRO Cc1nc(C#N)c(N2CCC(C(=O)NC[C@@H]3[N@H+](C)CCCC3(C)C)CC2)o1 ZINC000526029620 562264456 /nfs/dbraw/zinc/26/44/56/562264456.db2.gz JQTMQNVHZYHLDR-KRWDZBQOSA-N 1 0 373.501 2.308 20 30 FEEDRO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1ccc(C#N)o1 ZINC000412650765 559048550 /nfs/dbraw/zinc/04/85/50/559048550.db2.gz BQPSEIZTJWVCKI-VQIMIIECSA-N 1 0 353.422 2.418 20 30 FEEDRO N#Cc1csc(C(=O)NCC2(O)CC[NH+](Cc3ccccc3)CC2)c1 ZINC000412783665 559056025 /nfs/dbraw/zinc/05/60/25/559056025.db2.gz ZWJQORUYSRDNHZ-UHFFFAOYSA-N 1 0 355.463 2.377 20 30 FEEDRO C=C(C)CN(CC)C(=O)NCc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000413841877 559134284 /nfs/dbraw/zinc/13/42/84/559134284.db2.gz YMNZIWQQJCUTFW-UHFFFAOYSA-N 1 0 372.513 2.492 20 30 FEEDRO Cc1ccc(CNC(Nc2ccccc2)=[NH+]C[C@@H](O)Cn2ccnn2)cc1 ZINC000414357873 559158264 /nfs/dbraw/zinc/15/82/64/559158264.db2.gz FFPFGTNJGWKGRZ-LJQANCHMSA-N 1 0 364.453 2.205 20 30 FEEDRO CC[NH2+]Cc1cccc(NC(=O)C(=O)N(CCC#N)Cc2ccco2)c1 ZINC000415081164 559204319 /nfs/dbraw/zinc/20/43/19/559204319.db2.gz KIEDHBSEOVUKND-UHFFFAOYSA-N 1 0 354.410 2.270 20 30 FEEDRO C[C@H]([NH3+])C1CCN(C(=O)C(=O)Nc2ccccc2SCCC#N)CC1 ZINC000415403074 559231842 /nfs/dbraw/zinc/23/18/42/559231842.db2.gz WKAWFDNOQLLVTA-ZDUSSCGKSA-N 1 0 360.483 2.217 20 30 FEEDRO CC1(NC(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)CC[NH2+]CC1 ZINC000415438212 559236937 /nfs/dbraw/zinc/23/69/37/559236937.db2.gz CGIYGWGDPFAEKS-UHFFFAOYSA-N 1 0 358.833 2.661 20 30 FEEDRO C[C@@H]1CCCN(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)[C@@H]1C[NH3+] ZINC000415438968 559237061 /nfs/dbraw/zinc/23/70/61/559237061.db2.gz CPZXAJAJKXVVKX-MLGOLLRUSA-N 1 0 372.860 2.988 20 30 FEEDRO N#Cc1ccccc1Oc1ccc(NC(=O)C(=O)N[C@@H](C[NH3+])C2CC2)cc1 ZINC000415457132 559239213 /nfs/dbraw/zinc/23/92/13/559239213.db2.gz SGXYTGJDYIUQRL-KRWDZBQOSA-N 1 0 364.405 2.143 20 30 FEEDRO CN(C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1)C1CC[NH2+]CC1 ZINC000415462854 559239868 /nfs/dbraw/zinc/23/98/68/559239868.db2.gz QDGDCKLHWOTZQO-UHFFFAOYSA-N 1 0 358.833 2.613 20 30 FEEDRO COCCOc1ccc(C#N)cc1NC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000415463088 559239911 /nfs/dbraw/zinc/23/99/11/559239911.db2.gz IYMLTICQGRZAMA-ARFHVFGLSA-N 1 0 358.442 2.175 20 30 FEEDRO N#Cc1ccc(-n2ccc(NC(=O)N[C@H]3CCC[C@@H]([NH3+])C3)n2)c(Cl)c1 ZINC000415469672 559240745 /nfs/dbraw/zinc/24/07/45/559240745.db2.gz XQYCQQSXRBAREE-OLZOCXBDSA-N 1 0 358.833 2.789 20 30 FEEDRO C[C@H]([NH3+])[C@H]1CCN(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)C1 ZINC000415470959 559240867 /nfs/dbraw/zinc/24/08/67/559240867.db2.gz ZLIIEDHEJPMSCN-RYUDHWBXSA-N 1 0 358.833 2.598 20 30 FEEDRO CCCC[C@H](C[NH3+])NC(=O)C(=O)Nc1cccc(C#Cc2ccccn2)c1 ZINC000415506659 559244892 /nfs/dbraw/zinc/24/48/92/559244892.db2.gz SXQNPTZTYHCOAY-LJQANCHMSA-N 1 0 364.449 2.054 20 30 FEEDRO C=CCCc1ccccc1NC(=O)C(=O)N1CCC(OCCC[NH3+])CC1 ZINC000415510828 559245138 /nfs/dbraw/zinc/24/51/38/559245138.db2.gz ZZBMMZZNMKQLFO-UHFFFAOYSA-N 1 0 359.470 2.100 20 30 FEEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000415516337 559245663 /nfs/dbraw/zinc/24/56/63/559245663.db2.gz FTOLZKVFZSQPCV-RDBSUJKOSA-N 1 0 360.483 2.073 20 30 FEEDRO N#Cc1cccc(Oc2ccc(NC(=O)C(=O)NC[C@H]([NH3+])C3CC3)cc2)c1 ZINC000415529392 559246801 /nfs/dbraw/zinc/24/68/01/559246801.db2.gz ARSJWYLORPKVQO-SFHVURJKSA-N 1 0 364.405 2.143 20 30 FEEDRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N ZINC000415565029 559250264 /nfs/dbraw/zinc/25/02/64/559250264.db2.gz QOBBRYOPELGCLH-YOEHRIQHSA-N 1 0 369.469 2.389 20 30 FEEDRO CCC(CC)(C[NH3+])NC(=O)Nc1ccc(S(=O)(=O)[C@@H](C)C#N)cc1 ZINC000415591734 559253618 /nfs/dbraw/zinc/25/36/18/559253618.db2.gz AZSOYSUCRMRQBV-LBPRGKRZSA-N 1 0 352.460 2.011 20 30 FEEDRO C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N[C@@H](C)CCCC[NH3+])cc1 ZINC000415604259 559254539 /nfs/dbraw/zinc/25/45/39/559254539.db2.gz VKYUVRLQYZUVOP-QWHCGFSZSA-N 1 0 352.460 2.011 20 30 FEEDRO C[C@@]1(C[NH3+])CCN(C(=O)C(=O)Nc2ccccc2C#Cc2ccccc2)C1 ZINC000415683697 559261436 /nfs/dbraw/zinc/26/14/36/559261436.db2.gz DCRHPOYCWGTSSQ-QFIPXVFZSA-N 1 0 361.445 2.222 20 30 FEEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000415685482 559261809 /nfs/dbraw/zinc/26/18/09/559261809.db2.gz GVMFZTAOAPQUMH-SCLBCKFNSA-N 1 0 360.483 2.217 20 30 FEEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000415698140 559263164 /nfs/dbraw/zinc/26/31/64/559263164.db2.gz XUESSPSFGYBAMQ-SCLBCKFNSA-N 1 0 360.483 2.074 20 30 FEEDRO N#CCc1ccc(NC(=O)C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)c(Cl)c1 ZINC000415727146 559265489 /nfs/dbraw/zinc/26/54/89/559265489.db2.gz PSRLBAVXUOYUQZ-HDJSIYSDSA-N 1 0 362.861 2.226 20 30 FEEDRO O=C(Nc1cccc(C#Cc2ccccc2)c1)C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000415751094 559267666 /nfs/dbraw/zinc/26/76/66/559267666.db2.gz VOMIKCBPGXFQIX-UXHICEINSA-N 1 0 373.456 2.093 20 30 FEEDRO CC(C)(C)c1csc(NC(=O)C(=O)N[C@H](C[NH3+])C2CCCC2)c1C#N ZINC000415821039 559274893 /nfs/dbraw/zinc/27/48/93/559274893.db2.gz FACZIIWBCAQZPH-CQSZACIVSA-N 1 0 362.499 2.489 20 30 FEEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000415823902 559275398 /nfs/dbraw/zinc/27/53/98/559275398.db2.gz SHQOMEZCKCMVBP-CYBMUJFWSA-N 1 0 360.483 2.230 20 30 FEEDRO C[C@H]1CCN(C(=O)C(=O)Nc2sc(C(C)(C)C)cc2C#N)C[C@H]1C[NH3+] ZINC000415852298 559278634 /nfs/dbraw/zinc/27/86/34/559278634.db2.gz QMZKFVZLURTIJQ-WCQYABFASA-N 1 0 362.499 2.299 20 30 FEEDRO CN(CC[NH3+])C(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N ZINC000415875244 559280714 /nfs/dbraw/zinc/28/07/14/559280714.db2.gz CRHHZKHHEJBGEJ-UHFFFAOYSA-N 1 0 374.388 2.067 20 30 FEEDRO C[N@@H+](Cc1ccc(C#N)cc1)C[C@H](O)COc1ccc2c(c1)CCC(=O)N2 ZINC000416462663 559314826 /nfs/dbraw/zinc/31/48/26/559314826.db2.gz RSACYECSLOZDKO-SFHVURJKSA-N 1 0 365.433 2.315 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)NC[C@](CC)(C(=O)OC)c2ccccc2)CC1 ZINC000416682609 559329564 /nfs/dbraw/zinc/32/95/64/559329564.db2.gz JSKWHRCBBNTENE-NRFANRHFSA-N 1 0 373.497 2.457 20 30 FEEDRO O=C(NCC#Cc1cccc(C(F)(F)F)c1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000416939530 559339347 /nfs/dbraw/zinc/33/93/47/559339347.db2.gz CVGUXKYGCBBCIH-GJZGRUSLSA-N 1 0 351.372 2.308 20 30 FEEDRO C[C@@H]1CN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)CC[C@H]1[NH3+] ZINC000417584792 559368026 /nfs/dbraw/zinc/36/80/26/559368026.db2.gz YQBWNOKKYLSCLN-FRFSOERESA-N 1 0 359.449 2.045 20 30 FEEDRO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)N2CCC(F)(C#N)CC2)cc1 ZINC000418537554 559405214 /nfs/dbraw/zinc/40/52/14/559405214.db2.gz CYZMHOWRAUWELV-IRXDYDNUSA-N 1 0 360.433 2.178 20 30 FEEDRO C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CCC(C[NH2+]CC)CC1 ZINC000419053809 559426377 /nfs/dbraw/zinc/42/63/77/559426377.db2.gz GHMULZKYHMMUOG-IBGZPJMESA-N 1 0 357.498 2.138 20 30 FEEDRO C[NH2+]CCCNC(=O)C(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000419211972 559432805 /nfs/dbraw/zinc/43/28/05/559432805.db2.gz UARMJMGWQUZLLM-HNNXBMFYSA-N 1 0 364.449 2.128 20 30 FEEDRO C=CCC[C@@H](NC(=O)C(=O)N1CCC2(C1)CC[NH2+]CC2)c1ccccc1 ZINC000419666420 559452699 /nfs/dbraw/zinc/45/26/99/559452699.db2.gz QKUICYMKUBNNSQ-GOSISDBHSA-N 1 0 355.482 2.412 20 30 FEEDRO C=C(C)[C@H](NC(=O)C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1)c1ccc(F)c(F)c1 ZINC000419675938 559453309 /nfs/dbraw/zinc/45/33/09/559453309.db2.gz LFPACOQTJZKWCK-IFIJOSMWSA-N 1 0 365.424 2.142 20 30 FEEDRO C=C(C)[C@H](NC(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)c1ccc(F)c(F)c1 ZINC000419678513 559453490 /nfs/dbraw/zinc/45/34/90/559453490.db2.gz OFTQKZWTOZEDPA-VBQJREDUSA-N 1 0 363.408 2.051 20 30 FEEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)NCCC[NH2+]C1CC1 ZINC000419842643 559461902 /nfs/dbraw/zinc/46/19/02/559461902.db2.gz BWJVKCAZTPVQFN-UHFFFAOYSA-N 1 0 355.891 2.174 20 30 FEEDRO C=CCC[C@@H]1NC(=O)N(CCCC[NH+]2CCN(c3ccccc3)CC2)C1=O ZINC000419943229 559465694 /nfs/dbraw/zinc/46/56/94/559465694.db2.gz IHZUYZLOOCPELZ-IBGZPJMESA-N 1 0 370.497 2.475 20 30 FEEDRO C=CCOC[C@@H]1NC(=O)N(C[C@H](c2ccc(SC)cc2)[NH+](C)C)C1=O ZINC000419966489 559466786 /nfs/dbraw/zinc/46/67/86/559466786.db2.gz LJPGRCVZYMFOII-JKSUJKDBSA-N 1 0 363.483 2.134 20 30 FEEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000419980847 559467586 /nfs/dbraw/zinc/46/75/86/559467586.db2.gz RMIFVXIEYXPJNY-ZDUSSCGKSA-N 1 0 369.918 2.422 20 30 FEEDRO C=CCN(CCc1ccccc1)C(=O)C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000420157178 559475056 /nfs/dbraw/zinc/47/50/56/559475056.db2.gz GDDLOVBVOBRIQC-GOSISDBHSA-N 1 0 357.498 2.138 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1Cl ZINC000420459400 559488581 /nfs/dbraw/zinc/48/85/81/559488581.db2.gz QZCRSHSQBQFXOI-KGLIPLIRSA-N 1 0 353.875 2.222 20 30 FEEDRO COc1c(C)cnc(C[NH+]2CCC(N(C)c3cncc(C#N)n3)CC2)c1C ZINC000420582881 559492809 /nfs/dbraw/zinc/49/28/09/559492809.db2.gz JZOQEHXENLJDAV-UHFFFAOYSA-N 1 0 366.469 2.470 20 30 FEEDRO CN(C[C@H]1CCC[N@@H+]1C)S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000420742498 559501772 /nfs/dbraw/zinc/50/17/72/559501772.db2.gz VEQHTCVPZTWYLP-GFCCVEGCSA-N 1 0 372.288 2.035 20 30 FEEDRO CNC(=O)[C@@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)C1 ZINC000420980495 559516949 /nfs/dbraw/zinc/51/69/49/559516949.db2.gz USMIHXKBWHNSJS-QWHCGFSZSA-N 1 0 374.510 2.141 20 30 FEEDRO C[NH+](C)C1CCC(NC(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CC1 ZINC000421091756 559523667 /nfs/dbraw/zinc/52/36/67/559523667.db2.gz PTUCDXKXZAKBSL-UHFFFAOYSA-N 1 0 370.432 2.877 20 30 FEEDRO CCOC(=O)c1c(NC(=O)NCCC[NH+]2CCCC2)c(C#N)cn1CC ZINC000421164202 559527923 /nfs/dbraw/zinc/52/79/23/559527923.db2.gz JYXUPBMDVSLXBF-UHFFFAOYSA-N 1 0 361.446 2.164 20 30 FEEDRO CCOC(=O)c1c(NC(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c(C#N)cn1CC ZINC000421164268 559527994 /nfs/dbraw/zinc/52/79/94/559527994.db2.gz KHHDXWCRFXLVTB-HUUCEWRRSA-N 1 0 373.457 2.305 20 30 FEEDRO CCOC(=O)c1c(NC(=O)N2CC[NH+](C(C)C)CC2)c(C#N)cn1CC ZINC000421167085 559528228 /nfs/dbraw/zinc/52/82/28/559528228.db2.gz RYSVIJAOXJQJLD-UHFFFAOYSA-N 1 0 361.446 2.114 20 30 FEEDRO CCOC(=O)c1c(NC(=O)N2CC[N@H+](C)[C@H](C)[C@@H]2C)c(C#N)cn1CC ZINC000421176718 559528982 /nfs/dbraw/zinc/52/89/82/559528982.db2.gz SVKUMCZOJYJEON-OLZOCXBDSA-N 1 0 361.446 2.113 20 30 FEEDRO CCOC(=O)c1c(NC(=O)N2CC[N@H+](C)[C@@H](C)[C@@H]2C)c(C#N)cn1CC ZINC000421176720 559529000 /nfs/dbraw/zinc/52/90/00/559529000.db2.gz SVKUMCZOJYJEON-STQMWFEESA-N 1 0 361.446 2.113 20 30 FEEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000421292470 559536429 /nfs/dbraw/zinc/53/64/29/559536429.db2.gz BEKPNSDMPUBPMP-GJZGRUSLSA-N 1 0 374.510 2.429 20 30 FEEDRO C[C@@H](C(=O)NC1(C#N)CCC1)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000527295465 562284155 /nfs/dbraw/zinc/28/41/55/562284155.db2.gz HYIOVDGRNJUEEC-KRWDZBQOSA-N 1 0 365.481 2.017 20 30 FEEDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 ZINC000421710880 559550404 /nfs/dbraw/zinc/55/04/04/559550404.db2.gz MTSPDYXYEPPZRP-ZBFHGGJFSA-N 1 0 374.872 2.117 20 30 FEEDRO C=C(C)[C@H](CC(=O)N1CCCN(C2CC[NH+](CC)CC2)CC1)OCC ZINC000422021411 559561077 /nfs/dbraw/zinc/56/10/77/559561077.db2.gz NKAJNQKPSICVJX-IBGZPJMESA-N 1 0 351.535 2.376 20 30 FEEDRO Cc1ccc([C@@H](CNC(=O)C(=O)NCC(C)(C)CC#N)[NH+]2CCCC2)cc1 ZINC000422269201 559574512 /nfs/dbraw/zinc/57/45/12/559574512.db2.gz LMSYKINQAVHLIC-GOSISDBHSA-N 1 0 370.497 2.304 20 30 FEEDRO C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000422523948 559592853 /nfs/dbraw/zinc/59/28/53/559592853.db2.gz DVAJCFZDFCWLJV-XUVXKRRUSA-N 1 0 369.509 2.233 20 30 FEEDRO C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000422544945 559594103 /nfs/dbraw/zinc/59/41/03/559594103.db2.gz REIZGGCPWOXOGD-VQTJNVASSA-N 1 0 369.509 2.377 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)C(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000423020142 559615183 /nfs/dbraw/zinc/61/51/83/559615183.db2.gz YXOQRXRZYUBHGV-CVEARBPZSA-N 1 0 361.511 2.111 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)C(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000423020145 559615238 /nfs/dbraw/zinc/61/52/38/559615238.db2.gz YXOQRXRZYUBHGV-JKSUJKDBSA-N 1 0 361.511 2.111 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000423019952 559615257 /nfs/dbraw/zinc/61/52/57/559615257.db2.gz XYXRRJRQUBUSRU-ZWKOTPCHSA-N 1 0 369.490 2.216 20 30 FEEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000423024141 559615485 /nfs/dbraw/zinc/61/54/85/559615485.db2.gz LBQWOQWZVRDKGK-DGCLKSJQSA-N 1 0 355.891 2.112 20 30 FEEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N1CCC(CC[NH2+]C)CC1 ZINC000423171779 559621939 /nfs/dbraw/zinc/62/19/39/559621939.db2.gz PYNIDUOYRMQYPP-UHFFFAOYSA-N 1 0 373.497 2.058 20 30 FEEDRO C=CCN(CC1CCCCC1)C(=O)C(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000423307226 559625118 /nfs/dbraw/zinc/62/51/18/559625118.db2.gz GGNGHVDWXVFVFG-MOPGFXCFSA-N 1 0 361.530 2.429 20 30 FEEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1C[C@H]([NH3+])Cc2ccccc21 ZINC000424071800 559653733 /nfs/dbraw/zinc/65/37/33/559653733.db2.gz FGICYUWLSMULNU-OAHLLOKOSA-N 1 0 350.422 2.125 20 30 FEEDRO COc1cc(Cl)c(C)cc1NC(=O)CCNC(=O)[C@H]([NH3+])CCCC#N ZINC000424123008 559655425 /nfs/dbraw/zinc/65/54/25/559655425.db2.gz LDBVQGODNXKVPQ-CYBMUJFWSA-N 1 0 366.849 2.123 20 30 FEEDRO N#CCCC[C@H]([NH3+])C(=O)NC1CCN(Cc2ccc(F)c(F)c2)CC1 ZINC000424127414 559655684 /nfs/dbraw/zinc/65/56/84/559655684.db2.gz CZRKGVWOQVADBL-KRWDZBQOSA-N 1 0 350.413 2.067 20 30 FEEDRO N#CCCC[C@@H]([NH3+])C(=O)Nc1ccc(OCc2noc(C3CC3)n2)cc1 ZINC000424142332 559655864 /nfs/dbraw/zinc/65/58/64/559655864.db2.gz PKNXTZSPFZNWRT-OAHLLOKOSA-N 1 0 355.398 2.486 20 30 FEEDRO C[C@@H]1CC2(CN1S(=O)(=O)c1ccc(Cl)c(C#N)c1)CC[NH2+]CC2 ZINC000424393078 559662797 /nfs/dbraw/zinc/66/27/97/559662797.db2.gz QUFCDWQWCYQXRT-GFCCVEGCSA-N 1 0 353.875 2.364 20 30 FEEDRO C=CCCn1cc(C(=O)N(Cc2ccncc2)C[C@H]2CCC[N@H+]2CC)nn1 ZINC000424665171 559673038 /nfs/dbraw/zinc/67/30/38/559673038.db2.gz NFYBHAQLFHDQSG-GOSISDBHSA-N 1 0 368.485 2.376 20 30 FEEDRO C=CCc1ccccc1OC[C@H](O)C[NH2+][C@@H]1CCO[C@H]1c1cnn(C)c1 ZINC000424738436 559675158 /nfs/dbraw/zinc/67/51/58/559675158.db2.gz YWLVWHPJZGPIGF-GGPKGHCWSA-N 1 0 357.454 2.008 20 30 FEEDRO CC(C)(C)N1CC[C@H]([N@@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)C1=O ZINC000425384560 559699285 /nfs/dbraw/zinc/69/92/85/559699285.db2.gz MARWGRDYDRGJOA-IBGZPJMESA-N 1 0 354.498 2.465 20 30 FEEDRO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000425526259 559707884 /nfs/dbraw/zinc/70/78/84/559707884.db2.gz JLAMVCWZXAYMRQ-INIZCTEOSA-N 1 0 357.502 2.287 20 30 FEEDRO C=CCn1cc(CNC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)nn1 ZINC000425563096 559709878 /nfs/dbraw/zinc/70/98/78/559709878.db2.gz ICSJXELDKPTTHZ-UHFFFAOYSA-N 1 0 354.458 2.059 20 30 FEEDRO C=CCn1cc(CNC(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)nn1 ZINC000425567396 559710108 /nfs/dbraw/zinc/71/01/08/559710108.db2.gz SJSXUDJXARFZRW-PBHICJAKSA-N 1 0 374.514 2.408 20 30 FEEDRO C=CC[N@@H+](C)CCN(CC)Cc1ccc(S(=O)(=O)N2CCCC2)o1 ZINC000429711569 559804420 /nfs/dbraw/zinc/80/44/20/559804420.db2.gz FRUAYJKVOACABI-UHFFFAOYSA-N 1 0 355.504 2.004 20 30 FEEDRO C[N@H+](CCc1cccc(NC(=O)C(=O)NCC2(CC#N)CC2)c1)C1CC1 ZINC000430387319 559819223 /nfs/dbraw/zinc/81/92/23/559819223.db2.gz UNWWSTXBUNSWEZ-UHFFFAOYSA-N 1 0 354.454 2.072 20 30 FEEDRO C[NH+](C)[C@@H](CC(=O)N1CCN(c2ncccc2C#N)CC1)c1ccccc1 ZINC000431625268 559842875 /nfs/dbraw/zinc/84/28/75/559842875.db2.gz YSLFNTVELJNTDP-IBGZPJMESA-N 1 0 363.465 2.295 20 30 FEEDRO COC(=O)C1CCN(C(=O)C[NH2+][C@H](CCCC#N)c2ccccc2)CC1 ZINC000433023889 559869997 /nfs/dbraw/zinc/86/99/97/559869997.db2.gz UHXYRFBINOIMKX-GOSISDBHSA-N 1 0 357.454 2.423 20 30 FEEDRO COCC[N@H+](C[C@H](O)COc1ccc(C#N)cc1)[C@@H]1CCCSC1 ZINC000433193390 559873087 /nfs/dbraw/zinc/87/30/87/559873087.db2.gz QCOYCDGUIQMXPC-SJORKVTESA-N 1 0 350.484 2.142 20 30 FEEDRO CN(C)c1cc(C#N)cc(C(=O)NCc2ccccc2OCC[NH+](C)C)c1 ZINC000433248440 559874776 /nfs/dbraw/zinc/87/47/76/559874776.db2.gz STQYOKULFRFVOD-UHFFFAOYSA-N 1 0 366.465 2.495 20 30 FEEDRO N#Cc1cccc(C2(C(=O)N3CCC(C[NH+]4CCOCC4)CC3)CC2)c1 ZINC000435049006 559915138 /nfs/dbraw/zinc/91/51/38/559915138.db2.gz PMWJGPQIKVLQAA-UHFFFAOYSA-N 1 0 353.466 2.161 20 30 FEEDRO N#Cc1cc(F)ccc1NC(=O)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000435150862 559917170 /nfs/dbraw/zinc/91/71/70/559917170.db2.gz UPPOZWDUEVVORG-HXUWFJFHSA-N 1 0 368.412 2.456 20 30 FEEDRO C=CCN(CC=C)C(=O)CN(Cc1nccn1CC)[C@@H]1CC12CC[NH2+]CC2 ZINC000435691961 559928176 /nfs/dbraw/zinc/92/81/76/559928176.db2.gz NMDFRXZVVSDZQA-GOSISDBHSA-N 1 0 371.529 2.048 20 30 FEEDRO N#Cc1cnc2c(F)c(F)c(F)cc2c1NCCCC[NH+]1CCOCC1 ZINC000439098253 559988545 /nfs/dbraw/zinc/98/85/45/559988545.db2.gz KQPDICCQAHIVDW-UHFFFAOYSA-N 1 0 364.371 2.470 20 30 FEEDRO Cc1c(C#N)cccc1NC(=O)C(=O)NC[C@@H]1CCCC[N@H+]1CC(C)C ZINC000439429419 559993695 /nfs/dbraw/zinc/99/36/95/559993695.db2.gz FJXOMXYOWJBYOO-KRWDZBQOSA-N 1 0 356.470 2.432 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N(C2CC2)[C@H]2CC[NH2+]C2)cc1C(F)(F)F ZINC000440443432 560011180 /nfs/dbraw/zinc/01/11/80/560011180.db2.gz VUFGFVOXASIUDE-LBPRGKRZSA-N 1 0 359.373 2.092 20 30 FEEDRO C[NH+](C)C1(CNC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)CCC1 ZINC000445858609 560135708 /nfs/dbraw/zinc/13/57/08/560135708.db2.gz YEJKSSOGXUYDER-MRXNPFEDSA-N 1 0 373.476 2.450 20 30 FEEDRO CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 ZINC000448601769 560192105 /nfs/dbraw/zinc/19/21/05/560192105.db2.gz XESFSEONGHBVGX-ZBFHGGJFSA-N 1 0 374.872 2.165 20 30 FEEDRO Cc1[nH]c(C#N)cc1C(=O)NCCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000448685086 560194263 /nfs/dbraw/zinc/19/42/63/560194263.db2.gz SSMAQKZCBGGVNL-UHFFFAOYSA-N 1 0 365.481 2.445 20 30 FEEDRO C=CCOc1ccc(C[N@H+]2C[C@H](C(=O)OCC)C3(COC3)C2)cc1OC ZINC000449358592 560226754 /nfs/dbraw/zinc/22/67/54/560226754.db2.gz FWMCECAUAVZGDZ-MRXNPFEDSA-N 1 0 361.438 2.272 20 30 FEEDRO C[NH+](C)C[C@@H]1CCCN1C(=O)COc1ccc(C#N)c(Br)c1 ZINC000449830212 560241731 /nfs/dbraw/zinc/24/17/31/560241731.db2.gz WTKCZCWAKDVTJX-ZDUSSCGKSA-N 1 0 366.259 2.252 20 30 FEEDRO C[NH+](C)C1(CNC(=O)c2cccc(C#N)c2Br)CCOCC1 ZINC000449861197 560243123 /nfs/dbraw/zinc/24/31/23/560243123.db2.gz OBXTURMOJRPXEY-UHFFFAOYSA-N 1 0 366.259 2.161 20 30 FEEDRO C[C@H]1C[NH+](CCCNc2ncc(Br)cc2C#N)C[C@H](C)O1 ZINC000450240749 560255244 /nfs/dbraw/zinc/25/52/44/560255244.db2.gz HDFXWPFBZUVCKK-RYUDHWBXSA-N 1 0 353.264 2.627 20 30 FEEDRO CN(C)c1cc(C#N)cc(C(=O)Nc2ccnc(OCC[NH+](C)C)c2)c1 ZINC000450302046 560257652 /nfs/dbraw/zinc/25/76/52/560257652.db2.gz WJUQLMQROZLHEK-UHFFFAOYSA-N 1 0 353.426 2.212 20 30 FEEDRO CCN(CCC[NH+](C)C)C(=O)COc1ccc(C#N)c(Br)c1 ZINC000451102904 560287295 /nfs/dbraw/zinc/28/72/95/560287295.db2.gz FVTZIHNZCDUPQB-UHFFFAOYSA-N 1 0 368.275 2.500 20 30 FEEDRO CN(C(=O)C[N@@H+]1CCC[C@H](CC(C)(C)C(N)=O)C1)C1(C#N)CCCCC1 ZINC000451214248 560293489 /nfs/dbraw/zinc/29/34/89/560293489.db2.gz VSYKRQYYOWUZQU-MRXNPFEDSA-N 1 0 362.518 2.285 20 30 FEEDRO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](CC(C)(C)C(N)=O)C1 ZINC000451214421 560293616 /nfs/dbraw/zinc/29/36/16/560293616.db2.gz WKJTXVIOSJVEOO-VCBZYWHSSA-N 1 0 350.507 2.043 20 30 FEEDRO C=CCOc1ccc(CC(=O)N=c2ccn(C3CC[NH+](C)CC3)[nH]2)cc1 ZINC000451260162 560296533 /nfs/dbraw/zinc/29/65/33/560296533.db2.gz INCRDGDXMDPRSJ-UHFFFAOYSA-N 1 0 354.454 2.896 20 30 FEEDRO CC(C)[C@@H]1CN(S(=O)(=O)c2ccc(CC#N)cc2Cl)CCN1C ZINC000451460391 560308288 /nfs/dbraw/zinc/30/82/88/560308288.db2.gz RKWRWBJRWHONJM-HNNXBMFYSA-N 1 0 355.891 2.367 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]CC(=O)N1CCC[C@H]1c1cc(OC)ccc1OC ZINC000451595187 560316578 /nfs/dbraw/zinc/31/65/78/560316578.db2.gz COZWMKMNGUSIGI-SQNIBIBYSA-N 1 0 360.454 2.300 20 30 FEEDRO C[C@@H]1CN(Cc2ccc(C#N)cc2Br)C[C@H](C)[N@H+]1CCO ZINC000451660788 560320469 /nfs/dbraw/zinc/32/04/69/560320469.db2.gz GWLNSGILHDXYQL-BETUJISGSA-N 1 0 352.276 2.208 20 30 FEEDRO C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CN(CC(F)(F)F)C[C@H]1c1ccccc1 ZINC000452027870 560346386 /nfs/dbraw/zinc/34/63/86/560346386.db2.gz XOOXQLIFLDZRPA-CWRNSKLLSA-N 1 0 355.404 2.297 20 30 FEEDRO Cc1nc(C#N)c(N2CCN(C(=O)C[NH2+][C@H](C)c3cccc(C)c3)CC2)o1 ZINC000452089392 560350518 /nfs/dbraw/zinc/35/05/18/560350518.db2.gz PXJPDVPVBFOLLN-OAHLLOKOSA-N 1 0 367.453 2.163 20 30 FEEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1CC[C@@H](CCCO)C1 ZINC000452127271 560353045 /nfs/dbraw/zinc/35/30/45/560353045.db2.gz KZXPGAAAULBHPV-DLBZAZTESA-N 1 0 359.470 2.425 20 30 FEEDRO C=CCn1c(N2CC[N@H+](CCOC)[C@@H](CC)C2)nnc1[C@@]1(C)CCCO1 ZINC000453447459 560386771 /nfs/dbraw/zinc/38/67/71/560386771.db2.gz XKGSDNSPDAHQHT-QFBILLFUSA-N 1 0 363.506 2.037 20 30 FEEDRO C=C(C)Cn1c([C@H](C)OCCOC)nnc1N1CC[NH+]([C@@H](C)CC)CC1 ZINC000453450829 560386989 /nfs/dbraw/zinc/38/69/89/560386989.db2.gz IEZSCVWHZRGYJI-IRXDYDNUSA-N 1 0 365.522 2.499 20 30 FEEDRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)C(=O)NCc3ccc(C#N)cc3)ccc21 ZINC000453563486 560388836 /nfs/dbraw/zinc/38/88/36/560388836.db2.gz DRESZLKJMOGPDZ-LJQANCHMSA-N 1 0 362.433 2.362 20 30 FEEDRO Cc1cc(C#N)cc(NC(=O)C(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000453587695 560389921 /nfs/dbraw/zinc/38/99/21/560389921.db2.gz BUUALQYITFMWLW-IYBDPMFKSA-N 1 0 356.470 2.289 20 30 FEEDRO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)Nc1ccc(CC#N)cc1Cl ZINC000453588993 560390023 /nfs/dbraw/zinc/39/00/23/560390023.db2.gz DUADHFLNMDZAMR-GFCCVEGCSA-N 1 0 350.850 2.191 20 30 FEEDRO C[C@@H](NC(=O)C(=O)Nc1ccc(CC#N)cc1Cl)C(C)(C)C[NH+](C)C ZINC000453674965 560395705 /nfs/dbraw/zinc/39/57/05/560395705.db2.gz WJAKNYVTSFXJMB-GFCCVEGCSA-N 1 0 364.877 2.437 20 30 FEEDRO CC(C)(C)[NH2+]CCNC(=O)C(=O)Nc1sc(C(C)(C)C)cc1C#N ZINC000453705639 560398292 /nfs/dbraw/zinc/39/82/92/560398292.db2.gz HXKAHSAAYXIXKW-UHFFFAOYSA-N 1 0 350.488 2.360 20 30 FEEDRO C[C@@H]1CN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)C[C@H](C)[N@H+]1C ZINC000454487498 560446521 /nfs/dbraw/zinc/44/65/21/560446521.db2.gz LTLJWFARURYUFZ-UXLLHSPISA-N 1 0 373.476 2.400 20 30 FEEDRO C[NH+](C)CCOc1cnccc1CNC(=O)NCc1ccc(C#N)c(F)c1 ZINC000454975181 560465691 /nfs/dbraw/zinc/46/56/91/560465691.db2.gz MDENQSHRKLDTQP-UHFFFAOYSA-N 1 0 371.416 2.032 20 30 FEEDRO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NCC[N@@H+]1CCCOCC1 ZINC000454999942 560466836 /nfs/dbraw/zinc/46/68/36/560466836.db2.gz MLIKZHDKCGRTPU-UHFFFAOYSA-N 1 0 358.486 2.448 20 30 FEEDRO CCn1ccnc1[C@@H](C)NC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000455443652 560482541 /nfs/dbraw/zinc/48/25/41/560482541.db2.gz DLZIPELMTQVCHO-MRXNPFEDSA-N 1 0 366.469 2.363 20 30 FEEDRO N#Cc1ncc(NC(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cc1Cl ZINC000455778893 560494567 /nfs/dbraw/zinc/49/45/67/560494567.db2.gz HDOCRRMGSUBXQQ-CVEARBPZSA-N 1 0 363.849 2.106 20 30 FEEDRO CC(C)(Cc1ccc(C#N)cc1)C(=O)NCCCC[N@@H+]1CCC[C@H]1CO ZINC000455980056 560503136 /nfs/dbraw/zinc/50/31/36/560503136.db2.gz CATNDIABZVJVNU-IBGZPJMESA-N 1 0 357.498 2.480 20 30 FEEDRO Cc1cc(C#N)cc(NC(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)c1 ZINC000455999949 560503986 /nfs/dbraw/zinc/50/39/86/560503986.db2.gz KQWKYVNRMVVHCV-UHFFFAOYSA-N 1 0 364.453 2.335 20 30 FEEDRO C[C@@H]1CN(C(=O)c2cn(CCCC#N)c3ccccc23)C[C@H](C)[N@H+]1CCO ZINC000456235133 560512888 /nfs/dbraw/zinc/51/28/88/560512888.db2.gz HMLIOAUXYPJFLL-CALCHBBNSA-N 1 0 368.481 2.472 20 30 FEEDRO C=CCN1C(=O)c2ccc(C(=O)N3CC[NH+]([C@@H](C)CC)CC3)cc2C1=O ZINC000456543995 560523845 /nfs/dbraw/zinc/52/38/45/560523845.db2.gz FWYWLXDLQKNDHI-AWEZNQCLSA-N 1 0 355.438 2.025 20 30 FEEDRO C=C(C)[C@H]1OCCC[C@H]1C(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000457504699 560571093 /nfs/dbraw/zinc/57/10/93/560571093.db2.gz MUWOHZAKEGAQOH-UAFMIMERSA-N 1 0 363.546 2.375 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000457605482 560577555 /nfs/dbraw/zinc/57/75/55/560577555.db2.gz QOEDHAKNVMJSAE-OALUTQOASA-N 1 0 350.503 2.461 20 30 FEEDRO Cc1cc(C(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)ncc1C#N ZINC000457704609 560582629 /nfs/dbraw/zinc/58/26/29/560582629.db2.gz UNAITGZSERFQRD-UHFFFAOYSA-N 1 0 356.470 2.226 20 30 FEEDRO C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)c1cc[nH]c(=O)c1 ZINC000458827595 560650791 /nfs/dbraw/zinc/65/07/91/560650791.db2.gz JGOWLHFOXBKADT-OAHLLOKOSA-N 1 0 367.453 2.493 20 30 FEEDRO CC(C)(CC#N)CNC(=O)N1C[C@@H]2[C@H](C1)OCCN2Cc1ccccc1 ZINC000459249126 560676076 /nfs/dbraw/zinc/67/60/76/560676076.db2.gz YNXFYYFXJSCIRN-MSOLQXFVSA-N 1 0 356.470 2.221 20 30 FEEDRO N#Cc1cccc(COc2cccc(C[N@H+]3CCC[C@@](O)(CO)C3)c2)c1 ZINC000459665826 560701001 /nfs/dbraw/zinc/70/10/01/560701001.db2.gz BRHYJWNOWLUVHA-NRFANRHFSA-N 1 0 352.434 2.456 20 30 FEEDRO C=C(C)CN(CC)C(=O)C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000459821146 560710785 /nfs/dbraw/zinc/71/07/85/560710785.db2.gz KKOJUODXGPCHAK-WOJBJXKFSA-N 1 0 369.509 2.392 20 30 FEEDRO C=CCN(Cc1ccccc1)C(=O)C(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000459995879 560727293 /nfs/dbraw/zinc/72/72/93/560727293.db2.gz OPBVCDNNBQSSLG-HXUWFJFHSA-N 1 0 369.509 2.392 20 30 FEEDRO CCCN(CCN1CC[NH+](CC)CC1)C(=O)NCC1CCC(C#N)CC1 ZINC000460773169 560751568 /nfs/dbraw/zinc/75/15/68/560751568.db2.gz YBQMBHCHNIVCCU-UHFFFAOYSA-N 1 0 363.550 2.375 20 30 FEEDRO C=C(C)Cn1c(Cn2nc(C)cc2C)nnc1N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000460960199 560757177 /nfs/dbraw/zinc/75/71/77/560757177.db2.gz QTCQFMMFJFNTTA-SFHVURJKSA-N 1 0 369.517 2.389 20 30 FEEDRO CC[NH+](CC)CCOc1ccc(NC(=O)C(=O)N[C@@H]2CCC[C@H]2C#N)cc1 ZINC000461782414 560783215 /nfs/dbraw/zinc/78/32/15/560783215.db2.gz CBUFOGKOSUHTTO-MAUKXSAKSA-N 1 0 372.469 2.154 20 30 FEEDRO N#C[C@@H]1CCC[C@@H]1NC(=O)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000461785886 560783343 /nfs/dbraw/zinc/78/33/43/560783343.db2.gz DDIXIBAOQDZHOI-WMZOPIPTSA-N 1 0 354.454 2.419 20 30 FEEDRO CN1CC[N@H+](CCCNC(=O)N[C@@H]2CCC[C@@H]2C#N)[C@H](c2ccccc2)C1 ZINC000461961462 560789877 /nfs/dbraw/zinc/78/98/77/560789877.db2.gz VASUFVRJIHYORT-AQNXPRMDSA-N 1 0 369.513 2.357 20 30 FEEDRO C[C@@H](C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1)c1cccc(C#N)c1 ZINC000462046626 560794071 /nfs/dbraw/zinc/79/40/71/560794071.db2.gz KQBXXKRWSZYDIM-YLJYHZDGSA-N 1 0 354.498 2.290 20 30 FEEDRO COc1cc(C#N)ccc1S(=O)(=O)NC[C@H]1CCCC[N@@H+]1CC(C)C ZINC000464209443 560836177 /nfs/dbraw/zinc/83/61/77/560836177.db2.gz VZHJLOIXKSJKEL-MRXNPFEDSA-N 1 0 365.499 2.356 20 30 FEEDRO C[NH+](C)[C@H](CNC(=O)NCCOc1ccc(C#N)cc1)Cc1ccccc1 ZINC000465429273 560865170 /nfs/dbraw/zinc/86/51/70/560865170.db2.gz FRXPOYXNLNXWMW-IBGZPJMESA-N 1 0 366.465 2.409 20 30 FEEDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000467059687 560902630 /nfs/dbraw/zinc/90/26/30/560902630.db2.gz VNSPNBDZNUNWOD-DYVFJYSZSA-N 1 0 354.454 2.025 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)CN1CCc2ccccc2C1=O)C(C)C ZINC000468505199 560931786 /nfs/dbraw/zinc/93/17/86/560931786.db2.gz DGOWXNYEWXIVIT-HXUWFJFHSA-N 1 0 369.509 2.500 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cc[nH]c(=O)c2Br)CC1 ZINC000469376981 560953620 /nfs/dbraw/zinc/95/36/20/560953620.db2.gz KYXZAAJMPRFVGV-UHFFFAOYSA-N 1 0 354.248 2.320 20 30 FEEDRO C=CCNC(=O)NC(=O)C[NH+]1CCC(Cc2ccc(F)c(F)c2)CC1 ZINC000469457216 560955798 /nfs/dbraw/zinc/95/57/98/560955798.db2.gz PEEABWWPDORWKR-UHFFFAOYSA-N 1 0 351.397 2.231 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1ccc2nnc(C(C)(C)C)n2c1 ZINC000469727445 560962914 /nfs/dbraw/zinc/96/29/14/560962914.db2.gz XYCZXUXWDVHFFG-UHFFFAOYSA-N 1 0 356.474 2.334 20 30 FEEDRO C=CCNC(=O)NC(=O)[C@H](C)[N@H+](C)CCOc1ccc(C(F)(F)F)cc1 ZINC000469749182 560963604 /nfs/dbraw/zinc/96/36/04/560963604.db2.gz SELQVKJUHDOKLS-LBPRGKRZSA-N 1 0 373.375 2.416 20 30 FEEDRO CC[NH+](CC)[C@H](C)CNC(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 ZINC000469932409 560969307 /nfs/dbraw/zinc/96/93/07/560969307.db2.gz IJAYILVRADEPRA-CYBMUJFWSA-N 1 0 358.421 2.735 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCO[C@@]2(CCO[C@@H]2C)C1)C(C)C ZINC000471600850 561008400 /nfs/dbraw/zinc/00/84/00/561008400.db2.gz DZCUCYREDTYJQN-GGPKGHCWSA-N 1 0 365.518 2.274 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCO[C@@]2(CCO[C@H]2C)C1)C(C)C ZINC000471600852 561008419 /nfs/dbraw/zinc/00/84/19/561008419.db2.gz DZCUCYREDTYJQN-NSHGMRRFSA-N 1 0 365.518 2.274 20 30 FEEDRO Cn1ncc(C(=O)N[C@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)c1C#N ZINC000474788226 561082879 /nfs/dbraw/zinc/08/28/79/561082879.db2.gz QDKRCLBLQOPZPO-INIZCTEOSA-N 1 0 365.437 2.010 20 30 FEEDRO COCC[N@H+](C)CC[C@@H](NC(=O)c1ccnc(C#N)c1)c1ccccc1 ZINC000475669948 561101848 /nfs/dbraw/zinc/10/18/48/561101848.db2.gz TUHNRFWDZKKUQN-LJQANCHMSA-N 1 0 352.438 2.393 20 30 FEEDRO C[C@H](Oc1ccccc1C#N)C(=O)N1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC000476451849 561119876 /nfs/dbraw/zinc/11/98/76/561119876.db2.gz KFAULOVSRBCKLH-WMZOPIPTSA-N 1 0 357.454 2.039 20 30 FEEDRO COc1cc[nH]c(=O)c1C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000477203605 561139292 /nfs/dbraw/zinc/13/92/92/561139292.db2.gz NROBKPSTGMASNY-UHFFFAOYSA-N 1 0 366.421 2.016 20 30 FEEDRO CC1([NH+]2CCOCC2)CCN(C(=O)NCc2ccc(CC#N)cc2)CC1 ZINC000528034722 562311890 /nfs/dbraw/zinc/31/18/90/562311890.db2.gz PUJZDCOYCARXLZ-UHFFFAOYSA-N 1 0 356.470 2.149 20 30 FEEDRO N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000528454153 562330233 /nfs/dbraw/zinc/33/02/33/562330233.db2.gz YCEDCTMVCRDLJK-NQIIRXRSSA-N 1 0 350.418 2.429 20 30 FEEDRO COc1ccc(C#N)cc1NC(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000528676651 562341215 /nfs/dbraw/zinc/34/12/15/562341215.db2.gz VHUNONMXJCYKMK-INIZCTEOSA-N 1 0 358.442 2.189 20 30 FEEDRO N#Cc1ccc(OC[C@H](O)CN2CCc3nc(C4CC4)ncc3C2)cc1 ZINC000528736377 562344942 /nfs/dbraw/zinc/34/49/42/562344942.db2.gz CEGCPDKYAKGBGE-QGZVFWFLSA-N 1 0 350.422 2.024 20 30 FEEDRO COCc1ccc(NC(=O)N2CC[NH+](CC3CCOCC3)CC2)cc1C#N ZINC000529216354 562365362 /nfs/dbraw/zinc/36/53/62/562365362.db2.gz NRLPPTCNAMVIJH-UHFFFAOYSA-N 1 0 372.469 2.281 20 30 FEEDRO CC(C)[C@@H]1C[NH2+]CCN1C(=O)NC1CCC(Oc2ncccc2C#N)CC1 ZINC000529324654 562369581 /nfs/dbraw/zinc/36/95/81/562369581.db2.gz RJPRSDXTCZNMHZ-ABHNRTSZSA-N 1 0 371.485 2.283 20 30 FEEDRO N#Cc1ccc(OC2CCN(C(=O)N[C@H]3CC[NH2+]C34CCC4)CC2)cc1 ZINC000529353129 562370735 /nfs/dbraw/zinc/37/07/35/562370735.db2.gz PAJVIBXSRZTHOZ-SFHVURJKSA-N 1 0 354.454 2.396 20 30 FEEDRO C[C@H]([NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1)C(=O)NC1(C#N)CCC1 ZINC000530336861 562407489 /nfs/dbraw/zinc/40/74/89/562407489.db2.gz FLZVQQGVNSNPBZ-SCLBCKFNSA-N 1 0 355.438 2.449 20 30 FEEDRO C[C@H](SCC(=O)NC1(C#N)CC[NH+](C)CC1)c1nc2ccccc2[nH]1 ZINC000531074514 562433943 /nfs/dbraw/zinc/43/39/43/562433943.db2.gz ZDAYVXKMFBZFQI-ZDUSSCGKSA-N 1 0 357.483 2.461 20 30 FEEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CN2CC[N@@H+](C)C[C@@H]2C)c1C#N ZINC000532578980 562482157 /nfs/dbraw/zinc/48/21/57/562482157.db2.gz KJWHMVXZGKXHRZ-AWEZNQCLSA-N 1 0 369.469 2.192 20 30 FEEDRO C=CC1CC[NH+](CC(=O)NC(=O)Nc2ccc3c(c2)OCCCO3)CC1 ZINC000533424315 562508391 /nfs/dbraw/zinc/50/83/91/562508391.db2.gz DBSKJMQCTUYQOD-UHFFFAOYSA-N 1 0 359.426 2.394 20 30 FEEDRO N#Cc1cccc(-c2nnc(C[N@H+]3CCCC[C@@H]3[C@@H]3CNC(=O)C3)o2)c1 ZINC000535727758 562565576 /nfs/dbraw/zinc/56/55/76/562565576.db2.gz MXIQIPWRMLIFMP-JKSUJKDBSA-N 1 0 351.410 2.099 20 30 FEEDRO COc1cc(C#N)ccc1NC(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000546005636 562632628 /nfs/dbraw/zinc/63/26/28/562632628.db2.gz SVMJJQDDWGKQHL-CRAIPNDOSA-N 1 0 371.485 2.057 20 30 FEEDRO N#Cc1cnn2cc(C[NH2+]CCc3cc(Cl)c4c(c3)OCCO4)cnc12 ZINC000550156971 562643413 /nfs/dbraw/zinc/64/34/13/562643413.db2.gz OIUFIDLEQPHYND-UHFFFAOYSA-N 1 0 369.812 2.358 20 30 FEEDRO C[NH+]1CCC(CNC(=O)C(=O)Nc2scc(C(C)(C)C)c2C#N)CC1 ZINC000555954129 674383356 /nfs/dbraw/zinc/38/33/56/674383356.db2.gz WNPBYHSCMNLOBV-UHFFFAOYSA-N 1 0 362.499 2.314 20 30 FEEDRO C=C(C)C[C@@H](NC(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1)C(=O)OC ZINC000601784667 567840538 /nfs/dbraw/zinc/84/05/38/567840538.db2.gz GMZFEEXYQGTDFG-LJQANCHMSA-N 1 0 374.481 2.129 20 30 FEEDRO N#C[C@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)CCN1Cc1ccccc1 ZINC000602097357 567925971 /nfs/dbraw/zinc/92/59/71/567925971.db2.gz OJCMMCIDUNFDSA-IBGZPJMESA-N 1 0 352.482 2.099 20 30 FEEDRO C=CC[C@]1(C(=O)Nc2ccc(O[C@H](C)C(=O)OC)c(F)c2)CCC[NH2+]1 ZINC000602550781 567990696 /nfs/dbraw/zinc/99/06/96/567990696.db2.gz MYBWVDQIURJJAF-KZULUSFZSA-N 1 0 350.390 2.403 20 30 FEEDRO C/C=C\c1ccc(OC[C@H](O)C[N@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)c(OC)c1 ZINC000602854903 568002095 /nfs/dbraw/zinc/00/20/95/568002095.db2.gz DQIHZHGWWJYLCD-FIVJTZFBSA-N 1 0 373.497 2.386 20 30 FEEDRO CC[N@H+](C[C@@H](O)CC1(C#N)CCOCC1)[C@H]1CCN(CC(F)(F)F)C1 ZINC000602890636 568007082 /nfs/dbraw/zinc/00/70/82/568007082.db2.gz BWIAGBFZESQTHP-GJZGRUSLSA-N 1 0 363.424 2.016 20 30 FEEDRO CN(c1ccccc1CN1CCN(CCC#N)CC1)C1CC[NH+](C)CC1 ZINC000602747595 568022445 /nfs/dbraw/zinc/02/24/45/568022445.db2.gz CVSJOQPAKHUAPS-UHFFFAOYSA-N 1 0 355.530 2.248 20 30 FEEDRO CC[NH+](CC)CCOc1ccccc1NC(=O)N1CCN(CCC#N)CC1 ZINC000602781717 568039135 /nfs/dbraw/zinc/03/91/35/568039135.db2.gz VINQYSDZDPLPKQ-UHFFFAOYSA-N 1 0 373.501 2.470 20 30 FEEDRO C[C@H]1CN(C(=O)c2cnn(-c3ccncc3)c2C(F)F)C[C@H](C)N1CC#N ZINC000603099575 568060349 /nfs/dbraw/zinc/06/03/49/568060349.db2.gz RZQBLXJTRBXMCD-STQMWFEESA-N 1 0 374.395 2.263 20 30 FEEDRO N#CCCN(C(=O)Cn1cc(C[NH2+]C2CCCC2)nn1)c1ccccc1 ZINC000603167205 568070427 /nfs/dbraw/zinc/07/04/27/568070427.db2.gz UOJCDTWRRPFFRH-UHFFFAOYSA-N 1 0 352.442 2.257 20 30 FEEDRO C[N@H+](Cc1cn(CC(=O)NC2(C#N)CCCCC2)nn1)C1CCCCC1 ZINC000603173851 568071281 /nfs/dbraw/zinc/07/12/81/568071281.db2.gz CMZIRLPCRAMRHG-UHFFFAOYSA-N 1 0 358.490 2.385 20 30 FEEDRO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)n1cc(C[C@H]2CCC[NH2+]C2)nn1 ZINC000603195094 568072532 /nfs/dbraw/zinc/07/25/32/568072532.db2.gz YHWYJURXMGLLPH-MUZJZNNISA-N 1 0 372.517 2.312 20 30 FEEDRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)C1 ZINC000568609520 568089593 /nfs/dbraw/zinc/08/95/93/568089593.db2.gz ANMDBCCRVBYPMY-DFULUXCASA-N 1 0 357.458 2.022 20 30 FEEDRO C=CCOc1ccc(C(=O)NCCC[NH+]2CCC(C(=O)OC)CC2)cc1 ZINC000603671625 568133142 /nfs/dbraw/zinc/13/31/42/568133142.db2.gz JRBRYIKQDSDTIU-UHFFFAOYSA-N 1 0 360.454 2.256 20 30 FEEDRO C=CCOc1ccc(C(=O)NCCCN2CCC[N@H+](C)CC2)cc1OC ZINC000603811185 568143758 /nfs/dbraw/zinc/14/37/58/568143758.db2.gz NFNXRSLMPGWJHE-UHFFFAOYSA-N 1 0 361.486 2.017 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)CO[C@@H]2CCCc3ccccc32)c1C#N ZINC000569303215 568351708 /nfs/dbraw/zinc/35/17/08/568351708.db2.gz YZYYMMLUDBFUCL-GOSISDBHSA-N 1 0 367.453 2.466 20 30 FEEDRO Cc1nc(SCC(=O)N[C@H](CC[NH3+])C(F)(F)F)c(C#N)c(C)c1C ZINC000569374599 568395209 /nfs/dbraw/zinc/39/52/09/568395209.db2.gz ZNBBVMCEUBUSOB-GFCCVEGCSA-N 1 0 360.405 2.367 20 30 FEEDRO CN(C)C[C@H](Cc1ccccc1)[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000569900195 568434862 /nfs/dbraw/zinc/43/48/62/568434862.db2.gz XXCJKYUSLWBZLQ-IBGZPJMESA-N 1 0 371.506 2.094 20 30 FEEDRO N#Cc1ccc(CNC(=O)N2CCC(OCC[NH+]3CCCC3)CC2)cc1F ZINC000569901991 568434909 /nfs/dbraw/zinc/43/49/09/568434909.db2.gz FVGIXVSQYCULOO-UHFFFAOYSA-N 1 0 374.460 2.484 20 30 FEEDRO C[C@@H]([NH2+][C@H]1CCN(c2ccc(C#N)cc2)C1=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000736129933 598959306 /nfs/dbraw/zinc/95/93/06/598959306.db2.gz FWHMOHJRMHIREF-ACJLOTCBSA-N 1 0 373.420 2.194 20 30 FEEDRO C=CC[C@@H](C)NC(=O)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000735409044 599213698 /nfs/dbraw/zinc/21/36/98/599213698.db2.gz AVVCXLACGDZMFO-OAHLLOKOSA-N 1 0 369.473 2.049 20 30 FEEDRO N#Cc1csc(C[NH2+]C[C@@H]2CCN(S(=O)(=O)c3cccs3)C2)c1 ZINC000557392402 674447725 /nfs/dbraw/zinc/44/77/25/674447725.db2.gz SSPHYCSBEFWFRM-LBPRGKRZSA-N 1 0 367.521 2.482 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)NCC[NH+]2CCC3(CCCCC3)CC2)o1 ZINC000557854476 674471343 /nfs/dbraw/zinc/47/13/43/674471343.db2.gz XRXWRLOQTJNPCS-UHFFFAOYSA-N 1 0 351.472 2.476 20 30 FEEDRO C[C@H]([NH2+]CC(=O)Nc1sccc1C#N)c1ccc(-c2nn[nH]n2)cc1 ZINC000824564480 608465138 /nfs/dbraw/zinc/46/51/38/608465138.db2.gz UPZQTVKENRSUFT-JTQLQIEISA-N 1 0 353.411 2.089 20 30 FEEDRO Cn1cc(C[NH+]2CCC(CC#N)CC2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826360322 609410232 /nfs/dbraw/zinc/41/02/32/609410232.db2.gz GDJWAYDGEJAVDX-UHFFFAOYSA-N 1 0 362.441 2.393 20 30 FEEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2=O)cc1 ZINC000826385584 609413364 /nfs/dbraw/zinc/41/33/64/609413364.db2.gz SIODVXSOPTXRRD-GOSISDBHSA-N 1 0 373.420 2.024 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)C(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000560777827 674616260 /nfs/dbraw/zinc/61/62/60/674616260.db2.gz QQSCRKVRTNKSAY-MRXNPFEDSA-N 1 0 363.527 2.499 20 30 FEEDRO CC[C@H](O)CN[NH+]=Cc1sc(N2CCOCC2)nc1-c1ccccc1 ZINC000811652884 674618716 /nfs/dbraw/zinc/61/87/16/674618716.db2.gz AQHYSKWWCPDQGY-HNNXBMFYSA-N 1 0 360.483 2.341 20 30 FEEDRO CC[C@@H](C)[N@H+](C)CCNS(=O)(=O)c1cccc(Br)c1C#N ZINC000561504133 674672808 /nfs/dbraw/zinc/67/28/08/674672808.db2.gz ALKJKZMUBRAIHP-LLVKDONJSA-N 1 0 374.304 2.329 20 30 FEEDRO CO[C@@H]1COC[C@H]1[NH2+]CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 ZINC000563083295 674847520 /nfs/dbraw/zinc/84/75/20/674847520.db2.gz FWGGOMUXXWWCKB-NILFDRSVSA-N 1 0 363.483 2.077 20 30 FEEDRO C[C@@H]([NH3+])[C@@H]1CCCCN1S(=O)(=O)c1cccc(Br)c1C#N ZINC000563118334 674848308 /nfs/dbraw/zinc/84/83/08/674848308.db2.gz BQCTUINBKICZID-MFKMUULPSA-N 1 0 372.288 2.211 20 30 FEEDRO C[NH+](C)CCCNC(=S)NN=C1CC(C)(C)Oc2ccc(O)cc21 ZINC000814845931 674883709 /nfs/dbraw/zinc/88/37/09/674883709.db2.gz ZSWZXVYLVSBZTL-UHFFFAOYSA-N 1 0 350.488 2.073 20 30 FEEDRO C#CCNC(=O)CC[NH2+]C1(c2ccc(Br)cc2)CCOCC1 ZINC000815065316 674909785 /nfs/dbraw/zinc/90/97/85/674909785.db2.gz XXVMYBSBHKBETN-UHFFFAOYSA-N 1 0 365.271 2.184 20 30 FEEDRO CS(=O)(=O)NCC1CC[NH+](Cc2cccc(OCCCC#N)c2)CC1 ZINC000564006578 674963509 /nfs/dbraw/zinc/96/35/09/674963509.db2.gz OPCDOLGRHOIHRV-UHFFFAOYSA-N 1 0 365.499 2.130 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@H](C)OC ZINC001048573914 675010993 /nfs/dbraw/zinc/01/09/93/675010993.db2.gz IRPBPROQKDYLED-XEZGLNCPSA-N 1 0 350.503 2.362 20 30 FEEDRO CC[C@@H]1[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)CCN1c1snc(C)c1C#N ZINC001049004923 675020872 /nfs/dbraw/zinc/02/08/72/675020872.db2.gz HDHXVOVFXWHRPL-VBNZEHGJSA-N 1 0 361.515 2.139 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](C[C@@H](CC)OC)C[C@@H]2C1 ZINC001049104423 675023219 /nfs/dbraw/zinc/02/32/19/675023219.db2.gz LSNXGNWPVYSFGS-LFDJNIOPSA-N 1 0 350.503 2.173 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](CCc3ccns3)C[C@@H]2C1 ZINC001049110871 675023442 /nfs/dbraw/zinc/02/34/42/675023442.db2.gz CQEWDLBTTGBOKV-MVJTYMMSSA-N 1 0 361.511 2.057 20 30 FEEDRO CN(CCC#N)C[C@H](O)C[NH2+]Cc1cc(F)c(F)cc1Br ZINC000564869732 675070638 /nfs/dbraw/zinc/07/06/38/675070638.db2.gz GNOCLSPVZNCRPV-LLVKDONJSA-N 1 0 362.218 2.023 20 30 FEEDRO COCCNC(=S)C(C(=O)c1cc(C)n(C)c1C)[n+]1cccc(C)c1 ZINC000022793446 670043735 /nfs/dbraw/zinc/04/37/35/670043735.db2.gz XOATZEYIMKAJNB-UHFFFAOYSA-O 1 0 360.503 2.413 20 30 FEEDRO N#Cc1cc(Br)cc(S(=O)(=O)NCCC[C@H]2CCC[NH2+]2)c1 ZINC000565363536 675115260 /nfs/dbraw/zinc/11/52/60/675115260.db2.gz IKBSQPXAMHIJOZ-CYBMUJFWSA-N 1 0 372.288 2.131 20 30 FEEDRO C[NH+]=C(NCc1ccc(Br)s1)N[C@H]1CCN(C2CC2)C1 ZINC000083131186 670655641 /nfs/dbraw/zinc/65/56/41/670655641.db2.gz OHCOOCWRUKJXEH-JTQLQIEISA-N 1 0 357.321 2.412 20 30 FEEDRO C[NH+]=C(NC[C@@H]1CCCO1)N[C@H]1CCN(c2cc(Cl)ccc2OC)C1 ZINC000083477893 670658053 /nfs/dbraw/zinc/65/80/53/670658053.db2.gz UBOAJYZUGOHYJI-GJZGRUSLSA-N 1 0 366.893 2.271 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc3nc(C)sc3c2)c1C#N ZINC000570196055 670677175 /nfs/dbraw/zinc/67/71/75/670677175.db2.gz MEMIJUVINAOSLH-UHFFFAOYSA-N 1 0 354.439 2.604 20 30 FEEDRO CC(C)(C)OC(=O)N1CCN2C(NCCc3cccs3)=[NH+]C[C@H]2C1 ZINC000089120089 670694648 /nfs/dbraw/zinc/69/46/48/670694648.db2.gz IEYCRLXPQOSQBN-ZDUSSCGKSA-N 1 0 350.488 2.171 20 30 FEEDRO N#Cc1c(Br)cccc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000565541006 675131088 /nfs/dbraw/zinc/13/10/88/675131088.db2.gz KDESDQBKCYAYFX-CYBMUJFWSA-N 1 0 350.260 2.479 20 30 FEEDRO N#Cc1c(Br)cccc1S(=O)(=O)NCC1([NH3+])CCCCC1 ZINC000570514754 670726216 /nfs/dbraw/zinc/72/62/16/670726216.db2.gz VHDQNTHNYQXQDT-UHFFFAOYSA-N 1 0 372.288 2.261 20 30 FEEDRO CC[C@@H](C)NC(=[NH2+])NCCc1ccc(S(=O)(=O)N(CC)CC)s1 ZINC000103712318 670786621 /nfs/dbraw/zinc/78/66/21/670786621.db2.gz PLOCHGNIPPIBFD-GFCCVEGCSA-N 1 0 360.549 2.024 20 30 FEEDRO C#CCOc1ccc(C[NH2+]Cc2ccc(S(=O)(=O)N(C)C)cc2)cc1 ZINC000113323110 670883659 /nfs/dbraw/zinc/88/36/59/670883659.db2.gz DGCHLKMIGZRORP-UHFFFAOYSA-N 1 0 358.463 2.239 20 30 FEEDRO O=C(NCC[NH2+]Cc1ccc(Br)s1)C1N=CC=CC1=O ZINC000113360761 670884263 /nfs/dbraw/zinc/88/42/63/670884263.db2.gz FKBXLDANKBGBRC-SEYXRHQNSA-N 1 0 356.245 2.127 20 30 FEEDRO CCS[C@H]1CCC[C@H]([NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000571515767 670885350 /nfs/dbraw/zinc/88/53/50/670885350.db2.gz ATVIDZOLHYWPDY-GJZGRUSLSA-N 1 0 353.513 2.381 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@H]2C[C@H](c3ccc(F)cc3)C2)nc1 ZINC000565945909 675162897 /nfs/dbraw/zinc/16/28/97/675162897.db2.gz BSELUFCIHMCTHL-JCNLHEQBSA-N 1 0 359.426 2.402 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+]CCC[C@@H]2CCCC[C@H]2O)cc1 ZINC000579108412 671712687 /nfs/dbraw/zinc/71/26/87/671712687.db2.gz BYMAUIFOSDLBJY-FUHWJXTLSA-N 1 0 350.484 2.253 20 30 FEEDRO CCOC(=O)[C@]1(C(C)C)CC[N@@H+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000581051686 671858533 /nfs/dbraw/zinc/85/85/33/671858533.db2.gz YQCJJXLXHVGYMY-AYOQOUSVSA-N 1 0 351.491 2.341 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)NCc2cc(Br)ccc2OC)CC1 ZINC000119649683 671904546 /nfs/dbraw/zinc/90/45/46/671904546.db2.gz HHTRHNQTZIDYDV-UHFFFAOYSA-N 1 0 365.271 2.419 20 30 FEEDRO CC(C)(C[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1)S(C)(=O)=O ZINC000610511579 675977181 /nfs/dbraw/zinc/97/71/81/675977181.db2.gz INQAKYNZKWSJLF-UHFFFAOYSA-N 1 0 360.483 2.377 20 30 FEEDRO CC[NH+]=C(NC[C@@H]1CCCCO1)N1CCN([C@H](C)C(F)(F)F)CC1 ZINC000128137460 672045516 /nfs/dbraw/zinc/04/55/16/672045516.db2.gz VZOXPRAYQJLHLX-KGLIPLIRSA-N 1 0 350.429 2.089 20 30 FEEDRO Cc1ncsc1-c1nc(CON=C(N)C[NH+]2CCCCCC2)no1 ZINC000131505687 672089232 /nfs/dbraw/zinc/08/92/32/672089232.db2.gz ILRMUOLUTOLCOT-UHFFFAOYSA-N 1 0 350.448 2.166 20 30 FEEDRO C#CCOc1ccc(Br)cc1C[NH2+]C[C@@]1(CCO)CCOC1 ZINC000134438709 672122902 /nfs/dbraw/zinc/12/29/02/672122902.db2.gz CIAWLLJPJCVAHT-QGZVFWFLSA-N 1 0 368.271 2.340 20 30 FEEDRO N#Cc1ncc(NC(=O)N2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1Cl ZINC000584061687 672152209 /nfs/dbraw/zinc/15/22/09/672152209.db2.gz RYJHWQMUTLDFTG-CQSZACIVSA-N 1 0 363.849 2.325 20 30 FEEDRO CN(C)S(=O)(=O)c1ccc(OCC[NH+]2CCC(CCC#N)CC2)cc1 ZINC000584410770 672185710 /nfs/dbraw/zinc/18/57/10/672185710.db2.gz WZSZAHQCOCXFQF-UHFFFAOYSA-N 1 0 365.499 2.331 20 30 FEEDRO CC(C)(CNC(=[NH2+])Nc1ccccc1OC(F)(F)F)S(C)(=O)=O ZINC000160718055 672292842 /nfs/dbraw/zinc/29/28/42/672292842.db2.gz HBQAYUWORMNGTC-UHFFFAOYSA-N 1 0 353.366 2.135 20 30 FEEDRO CCC(CC)(CC(=O)OC)[NH2+]CCS(=O)(=O)c1cccc(C#N)c1 ZINC000611090348 676016678 /nfs/dbraw/zinc/01/66/78/676016678.db2.gz QZYKVDXGVFNQKB-UHFFFAOYSA-N 1 0 352.456 2.043 20 30 FEEDRO CC[NH+](CC)CC1CCN(CCS(=O)(=O)c2cccc(C#N)c2)CC1 ZINC000611088883 676016687 /nfs/dbraw/zinc/01/66/87/676016687.db2.gz IZNWBGFXAREYGR-UHFFFAOYSA-N 1 0 363.527 2.386 20 30 FEEDRO C=CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000179210354 672399867 /nfs/dbraw/zinc/39/98/67/672399867.db2.gz ZOKZEPCUAGKFQZ-HOTGVXAUSA-N 1 0 351.491 2.400 20 30 FEEDRO CC(C)(C)OC(=O)NCCC(=O)NC[C@H]1CCCC[N@@H+]1CCCC#N ZINC000186101295 672541443 /nfs/dbraw/zinc/54/14/43/672541443.db2.gz OUBYUQQBVTXYJK-OAHLLOKOSA-N 1 0 352.479 2.176 20 30 FEEDRO C[N@H+]1C[C@H]2[C@@H](CCN2CC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000590012738 672554561 /nfs/dbraw/zinc/55/45/61/672554561.db2.gz XDOBZISKBHEFMJ-BBRMVZONSA-N 1 0 358.511 2.463 20 30 FEEDRO C[NH+](C)[C@@H]1CCC[C@H]1NS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000590587000 672592865 /nfs/dbraw/zinc/59/28/65/672592865.db2.gz ZGOUGHAIPIDHAV-ZIAGYGMSSA-N 1 0 361.389 2.338 20 30 FEEDRO CC[N@@H+]1CCN(C(=O)COc2cccc(Br)c2C#N)C[C@@H]1C ZINC000590684781 672601698 /nfs/dbraw/zinc/60/16/98/672601698.db2.gz MTYZHNSIYZAEAY-LBPRGKRZSA-N 1 0 366.259 2.252 20 30 FEEDRO C[C@H](c1ccccc1)[C@H](CO)[NH2+][C@H]1CCN(c2sccc2C#N)C1=O ZINC000591029349 672643187 /nfs/dbraw/zinc/64/31/87/672643187.db2.gz JJOLPMQQFITPHX-COXVUDFISA-N 1 0 355.463 2.479 20 30 FEEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000591292526 672666811 /nfs/dbraw/zinc/66/68/11/672666811.db2.gz YRVSSTHRTKDAJM-KBPBESRZSA-N 1 0 360.483 2.278 20 30 FEEDRO C[C@@H]([NH3+])CNC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N ZINC000591305018 672667698 /nfs/dbraw/zinc/66/76/98/672667698.db2.gz YYHHGRILHKSUOA-SECBINFHSA-N 1 0 374.388 2.113 20 30 FEEDRO C[C@@H]([NH2+]C[C@H](O)CN(C)CCC#N)c1ccc(F)c(Br)c1 ZINC000591735171 672706222 /nfs/dbraw/zinc/70/62/22/672706222.db2.gz WQARFJYMIGAVRC-YPMHNXCESA-N 1 0 358.255 2.445 20 30 FEEDRO COCC#CC[N@@H+]1C[C@H](C(=O)OC)[C@@H](c2ccc(Br)cc2)C1 ZINC000591852521 672716259 /nfs/dbraw/zinc/71/62/59/672716259.db2.gz XWDJAQPHORHRIT-CVEARBPZSA-N 1 0 366.255 2.287 20 30 FEEDRO N#CC[C@@]1(O)CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)C1 ZINC000592147162 672764161 /nfs/dbraw/zinc/76/41/61/672764161.db2.gz ITXTXUNWGAMDGM-GOSISDBHSA-N 1 0 358.467 2.178 20 30 FEEDRO CC[C@@H]1CN(S(=O)(=O)c2cccc(Br)c2C#N)CC[C@@H]1[NH3+] ZINC000592382168 672795337 /nfs/dbraw/zinc/79/53/37/672795337.db2.gz KOQSRLUGCWQQBP-MFKMUULPSA-N 1 0 372.288 2.069 20 30 FEEDRO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCCC[C@H]2CCNS(C)(=O)=O)cc1 ZINC000245545254 672820361 /nfs/dbraw/zinc/82/03/61/672820361.db2.gz SZUUXCQXECHQKD-WBVHZDCISA-N 1 0 365.499 2.271 20 30 FEEDRO C[NH+]=C(NCCn1cc([N+](=O)[O-])cn1)N1CCSC2(CCCCC2)C1 ZINC000261711583 672902161 /nfs/dbraw/zinc/90/21/61/672902161.db2.gz HGQZCWDOJMXBJO-UHFFFAOYSA-N 1 0 366.491 2.118 20 30 FEEDRO CC[C@@H](C)NC(=[NH2+])NCc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1 ZINC000261888428 672904848 /nfs/dbraw/zinc/90/48/48/672904848.db2.gz SLWSHFOCPFUOFZ-HUUCEWRRSA-N 1 0 366.531 2.310 20 30 FEEDRO C[NH+]=C(NCC(C)(C)c1ccccc1F)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261935070 672905535 /nfs/dbraw/zinc/90/55/35/672905535.db2.gz CGJKYAGPHZXJHZ-UHFFFAOYSA-N 1 0 369.506 2.188 20 30 FEEDRO C[NH+]=C(NCCS(=O)(=O)Cc1ccccc1)N1CCSC(C)(C)C1 ZINC000262006242 672907338 /nfs/dbraw/zinc/90/73/38/672907338.db2.gz UOWOSRATELSIRY-UHFFFAOYSA-N 1 0 369.556 2.004 20 30 FEEDRO CC[NH+]=C(NCC1(c2ccccc2)CC1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000262004012 672907536 /nfs/dbraw/zinc/90/75/36/672907536.db2.gz VAXKZLGZXGJICP-UHFFFAOYSA-N 1 0 363.527 2.193 20 30 FEEDRO C[NH+]=C(NCc1coc(-c2cccs2)n1)NC1CCN(C(C)=O)CC1 ZINC000262186704 672910691 /nfs/dbraw/zinc/91/06/91/672910691.db2.gz FKYZJXMCPQOSLJ-UHFFFAOYSA-N 1 0 361.471 2.079 20 30 FEEDRO CCc1cccc(CC)c1NC(=[NH2+])NC[C@H]1CCCCN1S(C)(=O)=O ZINC000262474180 672916361 /nfs/dbraw/zinc/91/63/61/672916361.db2.gz BQJYDDFJXGJLGW-MRXNPFEDSA-N 1 0 366.531 2.352 20 30 FEEDRO C[C@H](CNC(=[NH2+])N1CCO[C@H](C)C1)Oc1ccc(Br)cc1 ZINC000262501054 672917006 /nfs/dbraw/zinc/91/70/06/672917006.db2.gz YJOHEHFHTNQLQZ-VXGBXAGGSA-N 1 0 356.264 2.252 20 30 FEEDRO CC(C)c1cccc(NC(=[NH2+])NC[C@H]2CCCCN2S(C)(=O)=O)c1 ZINC000262632178 672918410 /nfs/dbraw/zinc/91/84/10/672918410.db2.gz FXYXZXWEZSKDAM-MRXNPFEDSA-N 1 0 352.504 2.351 20 30 FEEDRO CCc1cccc(NC(=[NH2+])NC[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)c1 ZINC000262687901 672919095 /nfs/dbraw/zinc/91/90/95/672919095.db2.gz ZEGIURVSSIGPLG-HOCLYGCPSA-N 1 0 352.504 2.084 20 30 FEEDRO [NH2+]=C(NCc1nccc(C(F)(F)F)n1)N[C@@H]1CCOc2ccccc21 ZINC000263128713 672928296 /nfs/dbraw/zinc/92/82/96/672928296.db2.gz MUOKHIYKVHWWQW-LLVKDONJSA-N 1 0 351.332 2.424 20 30 FEEDRO C#CCCS(=O)(=O)NCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000288380727 672986178 /nfs/dbraw/zinc/98/61/78/672986178.db2.gz OYHCTKDFIMFFOQ-UHFFFAOYSA-N 1 0 364.511 2.000 20 30 FEEDRO CC(C)(C)NS(=O)(=O)c1ccccc1CNC(=[NH2+])N1CCCCC1 ZINC000303882295 673018605 /nfs/dbraw/zinc/01/86/05/673018605.db2.gz LHGFEFOUCOWJJW-UHFFFAOYSA-N 1 0 352.504 2.064 20 30 FEEDRO CC(C)(CNC(=[NH2+])NCCCN1CCOCC1)c1ccc(F)cc1Cl ZINC000304482732 673020241 /nfs/dbraw/zinc/02/02/41/673020241.db2.gz BFPHLELIEGFUGH-UHFFFAOYSA-N 1 0 370.900 2.383 20 30 FEEDRO [NH2+]=C(NCC(=O)NCc1ccco1)Nc1ccccc1OC(F)(F)F ZINC000305190426 673021431 /nfs/dbraw/zinc/02/14/31/673021431.db2.gz CVFFCXSQXGVPKC-UHFFFAOYSA-N 1 0 356.304 2.221 20 30 FEEDRO CC(C)OC(=O)C[C@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)C(C)C ZINC000594038472 673024289 /nfs/dbraw/zinc/02/42/89/673024289.db2.gz ABVOXUFRWQPMBL-KRWDZBQOSA-N 1 0 366.483 2.288 20 30 FEEDRO Cc1csc(NC(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)c1C#N ZINC000594105565 673031780 /nfs/dbraw/zinc/03/17/80/673031780.db2.gz MQRHKDGYRQKGJH-CZUORRHYSA-N 1 0 361.515 2.418 20 30 FEEDRO CO[C@H]1C[C@@H](C(=O)NC[C@@H]2CCc3nc(C(F)(F)F)cn3C2)N(C)C1 ZINC000329018455 673071023 /nfs/dbraw/zinc/07/10/23/673071023.db2.gz HCFBXBDCKDQQQK-SRVKXCTJSA-N 1 0 360.380 2.140 20 30 FEEDRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)NCc2nccs2)CC1 ZINC000329125964 673072726 /nfs/dbraw/zinc/07/27/26/673072726.db2.gz TYTRIEDDBVNZRM-HUUCEWRRSA-N 1 0 351.520 2.048 20 30 FEEDRO CN1CC[C@H](NC(=O)[C@@H]([NH3+])CCCCC#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000594445836 673072961 /nfs/dbraw/zinc/07/29/61/673072961.db2.gz KYFZGEBVBMWIPH-ULQDDVLXSA-N 1 0 350.413 2.237 20 30 FEEDRO N#CCCCC[C@H]([NH3+])C(=O)NCc1cc(Cl)ccc1N1CCOCC1 ZINC000594445406 673073113 /nfs/dbraw/zinc/07/31/13/673073113.db2.gz KCCMDHYLGOXSFA-INIZCTEOSA-N 1 0 364.877 2.204 20 30 FEEDRO COc1ccc(Cl)cc1NC(=O)CCNC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594446862 673073254 /nfs/dbraw/zinc/07/32/54/673073254.db2.gz YKNFPZGRSDEETP-ZDUSSCGKSA-N 1 0 366.849 2.205 20 30 FEEDRO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000725809206 673091406 /nfs/dbraw/zinc/09/14/06/673091406.db2.gz IUJWINKNWSZSMR-CVEARBPZSA-N 1 0 351.491 2.422 20 30 FEEDRO CC(C)(C#N)c1ccc(C[NH2+]CCc2ccc(S(N)(=O)=O)cc2)cc1 ZINC000594494838 673094006 /nfs/dbraw/zinc/09/40/06/673094006.db2.gz ISJOKVCZRNRVAU-UHFFFAOYSA-N 1 0 357.479 2.467 20 30 FEEDRO C[C@@H]1CC[C@H]([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CS1(=O)=O ZINC000594975197 673181842 /nfs/dbraw/zinc/18/18/42/673181842.db2.gz MRQFGUSLDFMKIZ-BEFAXECRSA-N 1 0 361.511 2.078 20 30 FEEDRO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2cc(C#N)ccc2Cl)C1 ZINC000595072619 673190885 /nfs/dbraw/zinc/19/08/85/673190885.db2.gz IMWCHKIUPRZUCQ-CYBMUJFWSA-N 1 0 362.861 2.387 20 30 FEEDRO CC(C)[C@H]1CN(S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)CC[NH2+]1 ZINC000595413180 673246422 /nfs/dbraw/zinc/24/64/22/673246422.db2.gz QQMWIMDOJGEFPJ-CYBMUJFWSA-N 1 0 361.389 2.196 20 30 FEEDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CCC[C@H](CC#N)C2)[C@H](C)C1 ZINC000595512323 673259661 /nfs/dbraw/zinc/25/96/61/673259661.db2.gz XOPJYXUBHBDZDK-KURKYZTESA-N 1 0 350.507 2.459 20 30 FEEDRO CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+]CC(=O)Nc2sc(C)c(C)c2C#N)C1 ZINC000595631325 673276236 /nfs/dbraw/zinc/27/62/36/673276236.db2.gz HENBHGLJLRXXMF-SQWLQELKSA-N 1 0 365.499 2.331 20 30 FEEDRO C[C@]1(C#N)CCN(CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C1 ZINC000595840911 673329331 /nfs/dbraw/zinc/32/93/31/673329331.db2.gz RELWJJRZOWKKSZ-LJQANCHMSA-N 1 0 358.511 2.409 20 30 FEEDRO C=CC[C@H](CO)CNC(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000537109998 673382956 /nfs/dbraw/zinc/38/29/56/673382956.db2.gz IYUIUAIETBVJBJ-INIZCTEOSA-N 1 0 351.516 2.444 20 30 FEEDRO C[NH+](C)CCC[C@H]1CN(c2ncc(Br)cc2C#N)CCO1 ZINC000596566365 673394163 /nfs/dbraw/zinc/39/41/63/673394163.db2.gz KBJHWGSJHMLZJR-AWEZNQCLSA-N 1 0 353.264 2.263 20 30 FEEDRO C=CCCSCCNC(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C ZINC000596781463 673412315 /nfs/dbraw/zinc/41/23/15/673412315.db2.gz SFODJPOFTIDVBI-UHFFFAOYSA-N 1 0 350.488 2.278 20 30 FEEDRO C[C@H](CCNC(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1)[NH+](C)C ZINC000596832563 673417870 /nfs/dbraw/zinc/41/78/70/673417870.db2.gz PUFMZUUMEKRZHN-GFCCVEGCSA-N 1 0 360.849 2.859 20 30 FEEDRO Cn1cc([C@@H]([NH2+]CCS(=O)(=O)c2cccc(C#N)c2)C(C)(C)C)cn1 ZINC000539378756 673486760 /nfs/dbraw/zinc/48/67/60/673486760.db2.gz FWMQBFIOIDJMOZ-QGZVFWFLSA-N 1 0 360.483 2.442 20 30 FEEDRO CC(=NNCC[NH+]1CCCCC1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000735226981 673486856 /nfs/dbraw/zinc/48/68/56/673486856.db2.gz IHPHFZNHFXNHJV-UHFFFAOYSA-N 1 0 359.442 2.482 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)OCC(=O)Nc2cc(Cl)ccc2OC)CC1 ZINC000735938018 673508470 /nfs/dbraw/zinc/50/84/70/673508470.db2.gz RQNYFZGMBXBKCI-UHFFFAOYSA-N 1 0 364.829 2.176 20 30 FEEDRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C ZINC000598265401 673553635 /nfs/dbraw/zinc/55/36/35/673553635.db2.gz SOPQZTSGLRDWPD-HNAYVOBHSA-N 1 0 351.491 2.485 20 30 FEEDRO CCC[N@@H+]1CC[C@H](NC(=O)Cc2ccc(Br)cc2C#N)C1 ZINC000598341621 673561358 /nfs/dbraw/zinc/56/13/58/673561358.db2.gz DWBIRLZIEZCMTK-HNNXBMFYSA-N 1 0 350.260 2.464 20 30 FEEDRO CC(C)(C#N)C[C@H](O)C[NH+]1CCC(C(=O)NCCc2cccs2)CC1 ZINC000598593567 673587520 /nfs/dbraw/zinc/58/75/20/673587520.db2.gz CGLSFHWYTXZFHT-INIZCTEOSA-N 1 0 363.527 2.420 20 30 FEEDRO CC(C)(C#N)C[C@H](O)C[NH2+]C[C@@H](CO)Cc1ccc(Br)cc1 ZINC000598730124 673604051 /nfs/dbraw/zinc/60/40/51/673604051.db2.gz QZARPEZBJSRVBH-HOCLYGCPSA-N 1 0 369.303 2.490 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)c2cn(-c3ccccc3Cl)nn2)CC1 ZINC000740737856 673651892 /nfs/dbraw/zinc/65/18/92/673651892.db2.gz LVALRSNMNOGUJA-UHFFFAOYSA-N 1 0 357.845 2.138 20 30 FEEDRO C[C@@](O)(C1CC[NH+](C[C@H](O)CC2(C#N)CCOCC2)CC1)C(F)(F)F ZINC000599367002 673664583 /nfs/dbraw/zinc/66/45/83/673664583.db2.gz ZZHGFOPXNJOABE-HUUCEWRRSA-N 1 0 364.408 2.083 20 30 FEEDRO N#CC1(C[C@@H](O)C[NH2+][C@@H](CO)c2ccc(Br)c(F)c2)CC1 ZINC000599425420 673674360 /nfs/dbraw/zinc/67/43/60/673674360.db2.gz GKTXOACFVZQANW-RISCZKNCSA-N 1 0 357.223 2.266 20 30 FEEDRO COC(=O)c1cnc(C2CC[NH+](C[C@@H](O)CC(C)(C)C#N)CC2)s1 ZINC000599557100 673691360 /nfs/dbraw/zinc/69/13/60/673691360.db2.gz XDGXNNVSJLCQSQ-ZDUSSCGKSA-N 1 0 351.472 2.410 20 30 FEEDRO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CC[NH+](CCCF)CC1 ZINC000599666660 673703798 /nfs/dbraw/zinc/70/37/98/673703798.db2.gz ADAAUBDXURQUIR-ZDUSSCGKSA-N 1 0 364.490 2.413 20 30 FEEDRO N#CC1(C[C@H](O)C[NH2+]CCC(=O)Nc2ccc(Br)cc2)CC1 ZINC000600721109 673794383 /nfs/dbraw/zinc/79/43/83/673794383.db2.gz SNVDXBQCINGWMK-AWEZNQCLSA-N 1 0 366.259 2.422 20 30 FEEDRO N#CC1(C[C@@H](O)C[NH2+]CCCS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000600740422 673795800 /nfs/dbraw/zinc/79/58/00/673795800.db2.gz VCFPNHCUHMMLHG-CQSZACIVSA-N 1 0 356.875 2.148 20 30 FEEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+]C[C@@H]2Cc3ccccc3CO2)c1 ZINC000600746088 673796227 /nfs/dbraw/zinc/79/62/27/673796227.db2.gz LBWVJCFGKCJYMY-SFHVURJKSA-N 1 0 356.447 2.063 20 30 FEEDRO N#Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NS(=O)(=O)C2CC2)cc1F ZINC000601157713 673829478 /nfs/dbraw/zinc/82/94/78/673829478.db2.gz DXAAWGRLGLJDST-IAGOWNOFSA-N 1 0 351.447 2.180 20 30 FEEDRO Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000601374142 673850819 /nfs/dbraw/zinc/85/08/19/673850819.db2.gz BHCMFXGYJGRTSO-CZUORRHYSA-N 1 0 351.447 2.111 20 30 FEEDRO CCC1([NH+](C)C)CCN(S(=O)(=O)c2ccc(C#N)cc2OC)CC1 ZINC000601503785 673872265 /nfs/dbraw/zinc/87/22/65/673872265.db2.gz PBVLGLHMDZYZBU-UHFFFAOYSA-N 1 0 351.472 2.062 20 30 FEEDRO C=CCCSCCNC(=O)C(=O)N1CCC(CC)([NH+]2CCCC2)CC1 ZINC000601519816 673876051 /nfs/dbraw/zinc/87/60/51/673876051.db2.gz HFPKSKIZKGCQNX-UHFFFAOYSA-N 1 0 367.559 2.279 20 30 FEEDRO C=CCn1c(C)nn(CN2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c1=S ZINC000746653525 673888180 /nfs/dbraw/zinc/88/81/80/673888180.db2.gz XGKCLMYUSAWZMY-BZUAXINKSA-N 1 0 351.520 2.050 20 30 FEEDRO C[NH+]1CCC(C#N)(NC(=O)Cc2ccc(F)cc2Br)CC1 ZINC000547946589 673908424 /nfs/dbraw/zinc/90/84/24/673908424.db2.gz GVLDIXVXURWHHT-UHFFFAOYSA-N 1 0 354.223 2.235 20 30 FEEDRO COc1cc(C#N)ccc1C[N@H+](CCN1CCOCC1)[C@@H]1CCSC1 ZINC000602879568 673912246 /nfs/dbraw/zinc/91/22/46/673912246.db2.gz BRINBMCVKGZEFP-GOSISDBHSA-N 1 0 361.511 2.207 20 30 FEEDRO N#Cc1ccsc1N1CC[C@@H](n2cc(C[NH2+]C3CCCC3)nn2)C1=O ZINC000603195111 673918983 /nfs/dbraw/zinc/91/89/83/673918983.db2.gz RRUSEGUXVQOHQU-OAHLLOKOSA-N 1 0 356.455 2.221 20 30 FEEDRO COc1cc(C#N)ccc1S(=O)(=O)N1CCCC[C@@H]1[C@@H](C)C[NH+](C)C ZINC000603391941 673929419 /nfs/dbraw/zinc/92/94/19/673929419.db2.gz VLVNCASRJBQLSG-GOEBONIOSA-N 1 0 365.499 2.308 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)c1nc(-n2nc(C)cc2C)ccc1Cl ZINC000818602780 675227791 /nfs/dbraw/zinc/22/77/91/675227791.db2.gz DUNCXLOMGJTLDB-UHFFFAOYSA-N 1 0 359.861 2.222 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000818608951 675228570 /nfs/dbraw/zinc/22/85/70/675228570.db2.gz AIIHFFBPDLFHJH-UHFFFAOYSA-N 1 0 355.847 2.412 20 30 FEEDRO N#Cc1cccnc1NCC[NH2+]C[C@@H](O)c1ccc(Br)cc1 ZINC000818975019 675248760 /nfs/dbraw/zinc/24/87/60/675248760.db2.gz JFUWQPRDVCNPKK-OAHLLOKOSA-N 1 0 361.243 2.451 20 30 FEEDRO COc1cccc(CNCCS(=O)(=O)c2cccc(C#N)c2)c1OC ZINC000567126081 675268909 /nfs/dbraw/zinc/26/89/09/675268909.db2.gz XUFXURFQMZADQW-UHFFFAOYSA-N 1 0 360.435 2.139 20 30 FEEDRO N#Cc1ccc(OC[C@H](O)C[NH2+][C@@H]2CC[C@@H]3SCCS[C@@H]23)cc1 ZINC000819197585 675268992 /nfs/dbraw/zinc/26/89/92/675268992.db2.gz KVQSSVHCLQDRNA-SIXLDLHFSA-N 1 0 350.509 2.267 20 30 FEEDRO C#CCNC(=O)CCNc1ccc(N2CC[NH+](CCC)CC2)c(Cl)c1 ZINC000819423678 675289506 /nfs/dbraw/zinc/28/95/06/675289506.db2.gz HXNDFNRYHNTZIA-UHFFFAOYSA-N 1 0 362.905 2.423 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)NC[C@H](CC(C)C)C(=O)OC(C)(C)C)CC1 ZINC000819622431 675305176 /nfs/dbraw/zinc/30/51/76/675305176.db2.gz YFPIUKKPSGLHLT-KRWDZBQOSA-N 1 0 350.503 2.452 20 30 FEEDRO N#Cc1cccc(S(=O)(=O)CCNC2CC[NH+](C3CCCC3)CC2)c1 ZINC000567891564 675333268 /nfs/dbraw/zinc/33/32/68/675333268.db2.gz JYHAXMBVNMIDQZ-UHFFFAOYSA-N 1 0 361.511 2.329 20 30 FEEDRO C#C[C@H](NC(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@H]1C)c1ccc(Cl)cc1F ZINC000820755118 675385505 /nfs/dbraw/zinc/38/55/05/675385505.db2.gz GXMZWLGMGYLIBZ-XNJGSVPQSA-N 1 0 367.852 2.250 20 30 FEEDRO O=C(NCC[NH2+][C@H]1CCc2cc(F)c(F)c(F)c21)C1N=CC=CC1=O ZINC000823860937 675574884 /nfs/dbraw/zinc/57/48/84/675574884.db2.gz PZCFFBCPVPGHIS-JCNXWTJJSA-N 1 0 351.328 2.207 20 30 FEEDRO C#CCN(CC(=O)N(C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C)C(=O)OC(C)(C)C ZINC000828596494 675832833 /nfs/dbraw/zinc/83/28/33/675832833.db2.gz WQLKABLZVGKJDO-JKSUJKDBSA-N 1 0 351.491 2.045 20 30 FEEDRO C=CCN(C(=O)C1CC[NH+](C2CCN(CC)CC2)CC1)[C@@H](C)COC ZINC000617582619 676293350 /nfs/dbraw/zinc/29/33/50/676293350.db2.gz QOFKLPBTYKKDDS-KRWDZBQOSA-N 1 0 351.535 2.232 20 30 FEEDRO N#Cc1cc(Cl)cc(Br)c1N1CCCN(CCO)CC1 ZINC000619570508 676385401 /nfs/dbraw/zinc/38/54/01/676385401.db2.gz LTDSEDNZRRKMPX-UHFFFAOYSA-N 1 0 358.667 2.479 20 30 FEEDRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NCc1ccc(C#N)c(Cl)c1 ZINC000619768390 676393947 /nfs/dbraw/zinc/39/39/47/676393947.db2.gz NYAUMDIEFNIMEZ-CYBMUJFWSA-N 1 0 364.877 2.198 20 30 FEEDRO C=CCCC1(CNS(=O)(=O)CCCN2CC[NH+](C)CC2)CCCC1 ZINC000632548487 677001329 /nfs/dbraw/zinc/00/13/29/677001329.db2.gz OVNCECSCRPCCAH-UHFFFAOYSA-N 1 0 357.564 2.070 20 30 FEEDRO C=CCNS(=O)(=O)c1ccccc1NC[C@]1([NH+](C)C)CCSC1 ZINC000641437359 677206147 /nfs/dbraw/zinc/20/61/47/677206147.db2.gz LIGLEHVZMGMTQX-MRXNPFEDSA-N 1 0 355.529 2.000 20 30 FEEDRO C=CCc1cc(CNC(=O)[C@@H]2C[NH2+]CCC2(F)F)cc(OC)c1OC ZINC000643985570 677235807 /nfs/dbraw/zinc/23/58/07/677235807.db2.gz ZMZCBBMXERVLPY-AWEZNQCLSA-N 1 0 354.397 2.293 20 30 FEEDRO C=CCCCC[NH+]1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000649232474 677327950 /nfs/dbraw/zinc/32/79/50/677327950.db2.gz QQKOJKFSAPGJTN-UHFFFAOYSA-N 1 0 365.499 2.341 20 30 FEEDRO C#CC[N@@H+](C)CCCNC(=O)N[C@H](CC)[C@@H](O)c1c(F)cccc1F ZINC000838622839 680706568 /nfs/dbraw/zinc/70/65/68/680706568.db2.gz PYGDECBETDCRGF-NVXWUHKLSA-N 1 0 353.413 2.031 20 30 FEEDRO COC(=O)C[C@@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCC2)C1CC1 ZINC000839552919 680760991 /nfs/dbraw/zinc/76/09/91/680760991.db2.gz UINSYZKPDUPXCD-CQSZACIVSA-N 1 0 361.467 2.368 20 30 FEEDRO C#C[C@@H]([NH2+]CCC(=O)Nc1cc(OC)c(Cl)cc1OC)[C@H]1CCCO1 ZINC000839565642 680762340 /nfs/dbraw/zinc/76/23/40/680762340.db2.gz ZETAAGXYGSYWFT-UKRRQHHQSA-N 1 0 366.845 2.456 20 30 FEEDRO C=CCN1CC[C@@H]([N@H+](C)CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)C1=O ZINC000839591521 680764367 /nfs/dbraw/zinc/76/43/67/680764367.db2.gz JPMVTPKCPIFABZ-JKSUJKDBSA-N 1 0 351.491 2.352 20 30 FEEDRO C=CC[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(C)c(S(=O)(=O)NC)c2)C1 ZINC000661379701 678472672 /nfs/dbraw/zinc/47/26/72/678472672.db2.gz HCDXQNOCLOPPLQ-HNNXBMFYSA-N 1 0 365.499 2.130 20 30 FEEDRO C=CC[N@@H+](CC(=O)Nc1ccc(C)c(S(=O)(=O)NC)c1)C(C)(C)C ZINC000661756933 678530364 /nfs/dbraw/zinc/53/03/64/678530364.db2.gz XZEPANDYUDAUNL-UHFFFAOYSA-N 1 0 353.488 2.128 20 30 FEEDRO C=CC[C@@]1(C(=O)N[C@H](CC)CS(=O)(=O)c2ccccc2)CCC[NH2+]1 ZINC000662799763 678662548 /nfs/dbraw/zinc/66/25/48/678662548.db2.gz MWNVBBLUSZTATQ-QAPCUYQASA-N 1 0 350.484 2.053 20 30 FEEDRO C[NH+](C)CCCNC(=S)NN=Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000764909045 680824016 /nfs/dbraw/zinc/82/40/16/680824016.db2.gz GWRQPUZJBNWIKB-UHFFFAOYSA-N 1 0 364.515 2.392 20 30 FEEDRO C=CCCC1(CNC(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)CCCC1 ZINC000668527571 679182418 /nfs/dbraw/zinc/18/24/18/679182418.db2.gz WSAZYUNOZKAVLL-LJQANCHMSA-N 1 0 367.559 2.183 20 30 FEEDRO C#CCC[NH+]1CCC(NS(=O)(=O)c2ccc(OCC(F)F)cc2)CC1 ZINC000840951504 680856255 /nfs/dbraw/zinc/85/62/55/680856255.db2.gz BEQOSILZXRMDRF-UHFFFAOYSA-N 1 0 372.437 2.097 20 30 FEEDRO C#CCC[NH+]1CCC(NS(=O)(=O)C2=Cc3ccccc3OCC2)CC1 ZINC000840951657 680856326 /nfs/dbraw/zinc/85/63/26/680856326.db2.gz DSHUXZQDGQYFFJ-UHFFFAOYSA-N 1 0 360.479 2.217 20 30 FEEDRO C#C[C@@H](C)NC(=O)C(=O)Nc1ccc(SCC[NH+]2CCCCC2)cc1 ZINC000832373071 680128039 /nfs/dbraw/zinc/12/80/39/680128039.db2.gz BKCICDGHYFTWAI-OAHLLOKOSA-N 1 0 359.495 2.341 20 30 FEEDRO C=C(Cl)C(C)(C)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC000976611886 680140873 /nfs/dbraw/zinc/14/08/73/680140873.db2.gz XSZPDWFXISBYPW-AALSBFMBSA-N 1 0 367.921 2.068 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)N2Cc1cnns1 ZINC001021260499 680145263 /nfs/dbraw/zinc/14/52/63/680145263.db2.gz UAJACGYFYODDRC-QGEPZTFVSA-N 1 0 362.499 2.131 20 30 FEEDRO C#CCN(CC#C)CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000752075444 680222223 /nfs/dbraw/zinc/22/22/23/680222223.db2.gz LMKRSFQQHXXEHJ-IBGZPJMESA-N 1 0 357.885 2.162 20 30 FEEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000834500878 680235505 /nfs/dbraw/zinc/23/55/05/680235505.db2.gz XPPBNPDAHZDEQZ-ABAIWWIYSA-N 1 0 360.439 2.471 20 30 FEEDRO COc1cc(C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)cc(Cl)c1OCC(C)C ZINC000834499649 680235808 /nfs/dbraw/zinc/23/58/08/680235808.db2.gz KXJBHYNKXQHTRB-GXTWGEPZSA-N 1 0 351.834 2.225 20 30 FEEDRO Cc1c2ccc(C(F)(F)F)nc2sc1C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000834516480 680237216 /nfs/dbraw/zinc/23/72/16/680237216.db2.gz ITNUVKVCWNBSCU-WCBMZHEXSA-N 1 0 354.357 2.465 20 30 FEEDRO CN(Cc1cccs1)c1ccc(C=[NH+]NCCS(C)(=O)=O)cc1 ZINC000834958067 680284742 /nfs/dbraw/zinc/28/47/42/680284742.db2.gz CDCADYIWUYBSQO-UHFFFAOYSA-N 1 0 351.497 2.353 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCCC[C@H]1C[NH2+]Cc1snnc1C ZINC001025112136 680313842 /nfs/dbraw/zinc/31/38/42/680313842.db2.gz UCRWMCQNSFGEHN-ZOBUZTSGSA-N 1 0 364.515 2.298 20 30 FEEDRO C[C@@H]1CC(N=Nc2ccc(S(=O)(=O)NC(C)(C)C)cn2)C[N@@H+]1C1CC1 ZINC000753955074 680326408 /nfs/dbraw/zinc/32/64/08/680326408.db2.gz KQZKGGPAANVRAS-GFCCVEGCSA-N 1 0 365.503 2.183 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC[C@@H]3CC3(Cl)Cl)C[C@H]21 ZINC001026056823 680340463 /nfs/dbraw/zinc/34/04/63/680340463.db2.gz DRPYDDNZHODGKH-JNWWKETESA-N 1 0 359.297 2.208 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)NC1CCC([NH2+]Cc2nnc(C)s2)CC1 ZINC001026496075 680344790 /nfs/dbraw/zinc/34/47/90/680344790.db2.gz JAECHBXNEFUSKE-FJBKBRRZSA-N 1 0 364.515 2.345 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC(C[NH2+]C[C@@H]2CCCOC2)CC1 ZINC000997782164 680365750 /nfs/dbraw/zinc/36/57/50/680365750.db2.gz SASAZVVZMZOUFO-OTWHNJEPSA-N 1 0 350.503 2.222 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC([C@H](C)[NH2+]Cc2cnns2)CC1 ZINC001029156655 680387923 /nfs/dbraw/zinc/38/79/23/680387923.db2.gz KRZIGCGTCKPSKK-JQFCIGGWSA-N 1 0 364.515 2.236 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CC2CCOCC2)C1 ZINC000984904818 680394694 /nfs/dbraw/zinc/39/46/94/680394694.db2.gz FCCQMVKHGWYIKQ-VJANTYMQSA-N 1 0 350.503 2.269 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2c(C)nn(C)c2Cl)C1 ZINC001000237461 680424332 /nfs/dbraw/zinc/42/43/32/680424332.db2.gz SEYCOABERWGYNB-FMKPAKJESA-N 1 0 366.893 2.054 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]CC2CCOCC2)C1 ZINC001000414899 680430639 /nfs/dbraw/zinc/43/06/39/680430639.db2.gz JJVAOPZBOIUPLR-QYZOEREBSA-N 1 0 350.503 2.365 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](CCn2cc(Cl)cn2)C1 ZINC001034407790 680435307 /nfs/dbraw/zinc/43/53/07/680435307.db2.gz DHIHHCDHQVNNRA-BBWFWOEESA-N 1 0 366.893 2.098 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC[C@H]2CCOC2)CC1 ZINC001034648476 680437090 /nfs/dbraw/zinc/43/70/90/680437090.db2.gz IQYAPYDYSQFZPO-FKSLSLAPSA-N 1 0 350.503 2.411 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CCCC2CCC2)CCO1 ZINC001035370615 680445208 /nfs/dbraw/zinc/44/52/08/680445208.db2.gz NRBLRLXQKJLARR-QRVBRYPASA-N 1 0 350.503 2.365 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)NCC1CC[NH+](CCc2ccns2)CC1 ZINC001001414718 680461170 /nfs/dbraw/zinc/46/11/70/680461170.db2.gz ZCHJNYNBTICIOV-MSOLQXFVSA-N 1 0 363.527 2.495 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)[C@@H](C)[C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000756841035 680501177 /nfs/dbraw/zinc/50/11/77/680501177.db2.gz GDRPMLQFOULIQZ-LSDHHAIUSA-N 1 0 351.491 2.140 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@]2(CC[N@@H+](Cc3cc(C)ns3)C2)C1 ZINC001041696136 680508704 /nfs/dbraw/zinc/50/87/04/680508704.db2.gz KZDVUMJPKZZNQM-ZIFCJYIRSA-N 1 0 361.511 2.467 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)NC1CC[NH+](CCC2CCOCC2)CC1 ZINC001002847789 680510221 /nfs/dbraw/zinc/51/02/21/680510221.db2.gz DOPFUIBZOHIKCH-MOPGFXCFSA-N 1 0 350.503 2.365 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)NC1CC[NH+](CCCC2CCOCC2)CC1 ZINC001003653195 680538312 /nfs/dbraw/zinc/53/83/12/680538312.db2.gz VAGALHVEVQHQQB-MOPGFXCFSA-N 1 0 350.503 2.365 20 30 FEEDRO C=C(Cl)C(C)(C)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001004392567 680555937 /nfs/dbraw/zinc/55/59/37/680555937.db2.gz VHRDFMHFQZWIAV-KFWWJZLASA-N 1 0 365.905 2.109 20 30 FEEDRO C=C(Cl)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2OCCO[C@H]2C)CC1 ZINC001004456805 680556345 /nfs/dbraw/zinc/55/63/45/680556345.db2.gz IFYRNWYIYYFIBH-UAGQMJEPSA-N 1 0 356.894 2.246 20 30 FEEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=S)NC[C@H]1CCCCO1 ZINC000758211738 680562659 /nfs/dbraw/zinc/56/26/59/680562659.db2.gz CVIJNHMYLGTORK-GOSISDBHSA-N 1 0 360.527 2.365 20 30 FEEDRO CON=CC(=O)N1CCC([NH+]2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000837215360 680569477 /nfs/dbraw/zinc/56/94/77/680569477.db2.gz JHZKTPSJFREZBN-UHFFFAOYSA-N 1 0 364.877 2.085 20 30 FEEDRO CC[C@H](C(=O)N1C[C@@H](C)[C@H](Nc2nc(Cl)c(C#N)s2)C1)[NH+](C)C ZINC001043262416 680570007 /nfs/dbraw/zinc/57/00/07/680570007.db2.gz PRYBWTBYLWKOOU-GMTAPVOTSA-N 1 0 355.895 2.267 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1CC[NH+](C[C@@H]2CCCCO2)CC1 ZINC001005409967 680574359 /nfs/dbraw/zinc/57/43/59/680574359.db2.gz NYKJABBYIBXBDP-OTWHNJEPSA-N 1 0 350.503 2.460 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1CC[NH+](CC[C@H]2CCCO2)CC1 ZINC001006127744 680594002 /nfs/dbraw/zinc/59/40/02/680594002.db2.gz NQWYDXRKLORHOC-QYZOEREBSA-N 1 0 350.503 2.460 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1C[NH+](CCCC2CCOCC2)C1 ZINC001044038336 680606700 /nfs/dbraw/zinc/60/67/00/680606700.db2.gz XJQMEURQDKBKJR-OALUTQOASA-N 1 0 350.503 2.317 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1csnc1OC ZINC001045237418 680625769 /nfs/dbraw/zinc/62/57/69/680625769.db2.gz BMZSPVGRRIBXCH-JYJNAYRXSA-N 1 0 365.499 2.214 20 30 FEEDRO CC(=NNC(=S)NCCC[NH+](C)C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000759195358 680634098 /nfs/dbraw/zinc/63/40/98/680634098.db2.gz FVWMZSBNGIMTEV-UHFFFAOYSA-N 1 0 361.515 2.056 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CC2(CO1)CC[NH+](C(C)C)CC2 ZINC001045672965 680637481 /nfs/dbraw/zinc/63/74/81/680637481.db2.gz XCNOLWAQZMHLLZ-KURKYZTESA-N 1 0 350.503 2.363 20 30 FEEDRO C=C(C)C[NH+]1CCC2(CO[C@@H](CNC(=O)[C@@H]3CCO[C@H]3CC)C2)CC1 ZINC001045673245 680637842 /nfs/dbraw/zinc/63/78/42/680637842.db2.gz AGYMJHFYVKBOQZ-KURKYZTESA-N 1 0 350.503 2.365 20 30 FEEDRO C=C(Cl)C[NH+]1CCC2(CO[C@H](CNC(=O)[C@H]3OCC[C@H]3C)C2)CC1 ZINC001045679026 680638115 /nfs/dbraw/zinc/63/81/15/680638115.db2.gz FYOPSIFVLFKBEU-KBMXLJTQSA-N 1 0 356.894 2.151 20 30 FEEDRO C#CC[N@H+]1CCC[C@@H]1COC(=O)c1ccc(NS(=O)(=O)CCC)cc1 ZINC000759327317 680642345 /nfs/dbraw/zinc/64/23/45/680642345.db2.gz ZKFGXTPPQCMSTL-QGZVFWFLSA-N 1 0 364.467 2.093 20 30 FEEDRO C=C(Cl)C[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1C[C@H]1C(=O)N(C)C)C2 ZINC001045967204 680642427 /nfs/dbraw/zinc/64/24/27/680642427.db2.gz PNPYGCXTKNSDNT-JTDSTZFVSA-N 1 0 367.921 2.168 20 30 FEEDRO C=C(C)C[NH+]1CCC([C@@H]2CCCN(C(=O)[C@H]3OCCO[C@H]3C)C2)CC1 ZINC001047243574 680659189 /nfs/dbraw/zinc/65/91/89/680659189.db2.gz LLIOVPFVXVAQCZ-UHOSZYNNSA-N 1 0 350.503 2.317 20 30 FEEDRO C#CCOc1ccc(C[NH2+]C[C@H]2CS(=O)(=O)c3ccccc3O2)cc1 ZINC000842721844 680962045 /nfs/dbraw/zinc/96/20/45/680962045.db2.gz MAXSPTLATNWKJW-KRWDZBQOSA-N 1 0 357.431 2.023 20 30 FEEDRO C[C@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)[C@H](O)c1ccc(F)cc1 ZINC000843072105 680985895 /nfs/dbraw/zinc/98/58/95/680985895.db2.gz AJUYAHJPGONWDW-UGSOOPFHSA-N 1 0 362.426 2.183 20 30 FEEDRO CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CCN(c2snc(C)c2C#N)[C@@H]1C ZINC001050357721 681046568 /nfs/dbraw/zinc/04/65/68/681046568.db2.gz AXXRFMIKNVRNSF-KBMXLJTQSA-N 1 0 361.515 2.281 20 30 FEEDRO C=C(C)CON=C(C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000844617597 681068650 /nfs/dbraw/zinc/06/86/50/681068650.db2.gz PCOZOMZBQDRPJL-UHFFFAOYSA-N 1 0 353.488 2.233 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCO[C@H](C[NH2+]Cc2ccsc2)C1 ZINC001051861199 681070241 /nfs/dbraw/zinc/07/02/41/681070241.db2.gz BEELVFYEQHGDMS-SQNIBIBYSA-N 1 0 364.511 2.436 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2cc(OC)ns2)CC1 ZINC001052723789 681084383 /nfs/dbraw/zinc/08/43/83/681084383.db2.gz UYGRQMKKBQNWBM-BMFZPTHFSA-N 1 0 365.499 2.214 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)OCC(=O)N[C@H](C)c2ccccc2Cl)CC1 ZINC000772115025 681086347 /nfs/dbraw/zinc/08/63/47/681086347.db2.gz UQKYUGMKDWIGQM-CQSZACIVSA-N 1 0 362.857 2.406 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCC2(C[NH+](CCC(C)C)C2)O1 ZINC001053602302 681100755 /nfs/dbraw/zinc/10/07/55/681100755.db2.gz FYDITPVLIAWTEH-KURKYZTESA-N 1 0 350.503 2.363 20 30 FEEDRO C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1CNc1nc(Cl)c(C#N)s1 ZINC001053653820 681102613 /nfs/dbraw/zinc/10/26/13/681102613.db2.gz ZSHSTQMUYOPHQA-UTUOFQBUSA-N 1 0 367.906 2.269 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1COC2(C[NH+](CC(CC)CC)C2)C1 ZINC001053955048 681106067 /nfs/dbraw/zinc/10/60/67/681106067.db2.gz XKVNEZLBMBLLMF-BZSNNMDCSA-N 1 0 350.503 2.363 20 30 FEEDRO Cc1nsc(N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)C3)c1C#N ZINC001055471753 681137573 /nfs/dbraw/zinc/13/75/73/681137573.db2.gz SHZGJUQHLJHXRU-DMRZNYOFSA-N 1 0 359.499 2.033 20 30 FEEDRO C[C@@H]1[C@H](C(=O)NC2CCN(c3ncc(C#N)cc3Cl)CC2)CC[N@@H+]1C ZINC001057964809 681166279 /nfs/dbraw/zinc/16/62/79/681166279.db2.gz IWERIYNQXXLIEJ-IUODEOHRSA-N 1 0 361.877 2.032 20 30 FEEDRO OCC1(C[NH+]2C[C@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)COC1 ZINC000932940008 681331560 /nfs/dbraw/zinc/33/15/60/681331560.db2.gz ADPOYSGREBCWGM-YUMQZZPRSA-N 1 0 369.252 2.098 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1nc(F)ccc1Br ZINC000847389713 681372920 /nfs/dbraw/zinc/37/29/20/681372920.db2.gz SQKVRQGZMKFOLI-UHFFFAOYSA-N 1 0 357.227 2.291 20 30 FEEDRO COC(=O)[C@H](c1ccc(C#N)cc1)N1C[C@H](SC)[C@@H]([NH+]2CCCC2)C1 ZINC000776479464 681394899 /nfs/dbraw/zinc/39/48/99/681394899.db2.gz XTDQPIHDLJGUTN-BZSNNMDCSA-N 1 0 359.495 2.284 20 30 FEEDRO C[C@](CO)(Cc1ccc(Cl)cc1)[NH2+]C[C@H](O)CC1(C#N)CCOCC1 ZINC000933444932 681413640 /nfs/dbraw/zinc/41/36/40/681413640.db2.gz PHRCYIMJQQQJRW-QZTJIDSGSA-N 1 0 366.889 2.294 20 30 FEEDRO C=CCN1CC[C@H]([NH2+][C@](C)(CO)Cc2ccc(Br)cc2)C1=O ZINC000933443817 681413898 /nfs/dbraw/zinc/41/38/98/681413898.db2.gz ZMSWJCAZYFCENU-RDJZCZTQSA-N 1 0 367.287 2.119 20 30 FEEDRO N#Cc1ccc(CN2CC[C@H]3[C@H]2CCC[N@H+]3CCO)c(Br)c1 ZINC000934263057 681537838 /nfs/dbraw/zinc/53/78/38/681537838.db2.gz ARBLDAYGQVMBAN-SJORKVTESA-N 1 0 364.287 2.352 20 30 FEEDRO C=CCN1CC[C@@H]([NH2+][C@@](C)(CO)c2cccc(Br)c2)C1=O ZINC000934493723 681577912 /nfs/dbraw/zinc/57/79/12/681577912.db2.gz DDALQLTZJILPQT-ZBFHGGJFSA-N 1 0 353.260 2.033 20 30 FEEDRO C=C(C)CC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1OCC[C@H]1CC)CCO2 ZINC000949115284 681618609 /nfs/dbraw/zinc/61/86/09/681618609.db2.gz YGFQMZPKIWZTNB-MSOLQXFVSA-N 1 0 350.503 2.461 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCCC[C@H]([C@@H]3CCOC3)C2)cc1 ZINC000934836981 681645749 /nfs/dbraw/zinc/64/57/49/681645749.db2.gz GZHBEOGRZDNVSP-ZWKOTPCHSA-N 1 0 362.495 2.471 20 30 FEEDRO C[NH+]=C(NCc1ccco1)NC[C@@H](CO)Cc1cc(F)c(F)c(F)c1 ZINC000849105731 681653574 /nfs/dbraw/zinc/65/35/74/681653574.db2.gz WGJNZGYXKWSERG-LBPRGKRZSA-N 1 0 355.360 2.213 20 30 FEEDRO C[NH+](C)CC#CCNC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1 ZINC000913518287 685479248 /nfs/dbraw/zinc/47/92/48/685479248.db2.gz LHRPRGPGXRFFKN-UHFFFAOYSA-N 1 0 352.316 2.050 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)N1CCC[C@H]2[C@H]1CCN2C(=O)OC(C)(C)C ZINC000913777654 685485004 /nfs/dbraw/zinc/48/50/04/685485004.db2.gz LQFMNOFLEZVKHZ-JKSUJKDBSA-N 1 0 351.491 2.495 20 30 FEEDRO C[N@@H+]1CCC[C@@](O)(CC(=O)N[C@@H](c2cccc(C#N)c2)C(F)(F)F)C1 ZINC000913782042 685485086 /nfs/dbraw/zinc/48/50/86/685485086.db2.gz IRNTUYGWPKBPEN-JKSUJKDBSA-N 1 0 355.360 2.125 20 30 FEEDRO N#Cc1ccc([C@@H](O)C(=O)NCC2([NH+]3CCSCC3)CCCC2)cc1 ZINC000780887507 681883918 /nfs/dbraw/zinc/88/39/18/681883918.db2.gz GZRISLGAASBBKC-QGZVFWFLSA-N 1 0 359.495 2.069 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(C[N@H+](CC)C[C@@H]2CCOC2)CC1 ZINC000957755549 681922502 /nfs/dbraw/zinc/92/25/02/681922502.db2.gz IHPUHCBWVOHZKC-OTWHNJEPSA-N 1 0 350.503 2.175 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@@H](C2OCCO2)C1)C(C)C ZINC000914125578 685495436 /nfs/dbraw/zinc/49/54/36/685495436.db2.gz HYARCXRWUASXFV-IAGOWNOFSA-N 1 0 351.491 2.089 20 30 FEEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)Nc1ncc(Cc2c(F)cccc2F)s1 ZINC000850763588 681958104 /nfs/dbraw/zinc/95/81/04/681958104.db2.gz GQGSGWMWZHAAMN-YMTOWFKASA-N 1 0 363.393 2.245 20 30 FEEDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)Cc1csc(C#N)c1 ZINC000914235559 685500179 /nfs/dbraw/zinc/50/01/79/685500179.db2.gz YKOUFLPGMWTJHV-MJBXVCDLSA-N 1 0 355.529 2.406 20 30 FEEDRO CC1N=NC(=S)N1N=Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000915945543 685519772 /nfs/dbraw/zinc/51/97/72/685519772.db2.gz PGSDZJSWNQWODD-UHFFFAOYSA-N 1 0 350.879 2.163 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1CCC([NH2+]Cc2cnns2)CC1 ZINC000963338090 682138479 /nfs/dbraw/zinc/13/84/79/682138479.db2.gz PMEVMOSXEHIVGM-MMADZMRASA-N 1 0 364.515 2.379 20 30 FEEDRO C=C(Br)C[NH2+]C1CC2(CC(NC(=O)[C@H]3OCC[C@H]3C)C2)C1 ZINC000965122630 682183743 /nfs/dbraw/zinc/18/37/43/682183743.db2.gz YZHKNYSHJPBVPB-ZEGWEMQFSA-N 1 0 357.292 2.337 20 30 FEEDRO C#C[C@](C)(CC)[NH2+]Cc1nc2cc(S(=O)(=O)N(C)C)ccc2n1CC ZINC000852099967 682219996 /nfs/dbraw/zinc/21/99/96/682219996.db2.gz DUZUWEYIECODSX-GOSISDBHSA-N 1 0 362.499 2.198 20 30 FEEDRO N#Cc1c(NC[C@H](c2ccco2)[NH+]2CCCC2)cccc1S(N)(=O)=O ZINC000784553790 682237567 /nfs/dbraw/zinc/23/75/67/682237567.db2.gz DHBXGGJCRWSBRY-OAHLLOKOSA-N 1 0 360.439 2.048 20 30 FEEDRO N#Cc1cc(CS(=O)(=O)NC[C@H]2CCC[N@H+](CC3CC3)C2)cs1 ZINC000917779063 685534649 /nfs/dbraw/zinc/53/46/49/685534649.db2.gz XACVREXBTZAADU-CQSZACIVSA-N 1 0 353.513 2.161 20 30 FEEDRO CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)C#CC1CC[NH2+]CC1 ZINC000852803023 682344880 /nfs/dbraw/zinc/34/48/80/682344880.db2.gz XZQSKSCLJQPHAZ-UHFFFAOYSA-N 1 0 368.264 2.393 20 30 FEEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852827492 682347989 /nfs/dbraw/zinc/34/79/89/682347989.db2.gz JQWOWDDVHRBWHS-LBPRGKRZSA-N 1 0 370.222 2.206 20 30 FEEDRO C=C(Cl)C(C)(C)C(=O)N1C[C@H]2CCN(C(=O)C3([NH+](C)C)CCC3)C[C@H]21 ZINC000972340119 682407972 /nfs/dbraw/zinc/40/79/72/682407972.db2.gz QHCBGNWPCWTQPM-HUUCEWRRSA-N 1 0 367.921 2.309 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@]2(C1)C[N@H+](CCC(C)C)CCO2 ZINC000972391872 682412531 /nfs/dbraw/zinc/41/25/31/682412531.db2.gz DOIFUWGOLODEHQ-WSTZPKSXSA-N 1 0 350.503 2.317 20 30 FEEDRO N#Cc1ncc(Br)cc1NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000853451304 682415250 /nfs/dbraw/zinc/41/52/50/682415250.db2.gz GGDPPZNFKWOMSL-CYBMUJFWSA-N 1 0 351.248 2.381 20 30 FEEDRO C#CCCCS(=O)(=O)NC[C@H](c1cccc(OC)c1)[NH+](CC)CC ZINC000786959387 682424515 /nfs/dbraw/zinc/42/45/15/682424515.db2.gz QKOPBKGYLULGQW-GOSISDBHSA-N 1 0 352.500 2.411 20 30 FEEDRO C=C(Cl)C(C)(C)C(=O)N1CC[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)[C@@H]2C1 ZINC000972648890 682427746 /nfs/dbraw/zinc/42/77/46/682427746.db2.gz KRMGJCAGPMUAII-BZUAXINKSA-N 1 0 367.921 2.165 20 30 FEEDRO C[NH+]1CCC2(CC1)CN(c1cc(Br)cnc1C#N)CCO2 ZINC000853710184 682459198 /nfs/dbraw/zinc/45/91/98/682459198.db2.gz NRRCMJLWPJBTLC-UHFFFAOYSA-N 1 0 351.248 2.017 20 30 FEEDRO COCC[N@@H+]1CCC[C@H](NC(=O)C#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000790596590 682687313 /nfs/dbraw/zinc/68/73/13/682687313.db2.gz GOFBJOBANUGVDU-INIZCTEOSA-N 1 0 354.372 2.284 20 30 FEEDRO C#CCN(CC#CC)C(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000792276842 682801355 /nfs/dbraw/zinc/80/13/55/682801355.db2.gz GHUGLFXZFKVVAZ-UHFFFAOYSA-N 1 0 355.404 2.460 20 30 FEEDRO Cc1[nH+]c(CN=Nc2ccccc2S(=O)(=O)N(C)C)c2ccccn12 ZINC000793182143 682869985 /nfs/dbraw/zinc/86/99/85/682869985.db2.gz AJSRJDDKYJPLJZ-UHFFFAOYSA-N 1 0 357.439 2.339 20 30 FEEDRO C[NH+](C)[C@@H]1CCc2ccccc2N(S(=O)(=O)c2ccc(C#N)nc2)C1 ZINC000857901551 682924186 /nfs/dbraw/zinc/92/41/86/682924186.db2.gz LJADWRSQMDMABC-MRXNPFEDSA-N 1 0 356.451 2.025 20 30 FEEDRO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NC(=O)c3sccc3CC#N)C2)[C@@H]1C(C)C ZINC000926264256 683100860 /nfs/dbraw/zinc/10/08/60/683100860.db2.gz FLGGUFHUHVEJNB-RRIFGTCXSA-N 1 0 361.511 2.414 20 30 FEEDRO Cc1nn(Cc2ccccc2)c(Cl)c1C[NH2+]CCn1cnc(C#N)n1 ZINC000796498322 683165897 /nfs/dbraw/zinc/16/58/97/683165897.db2.gz SXIMWRYIJNJJOQ-UHFFFAOYSA-N 1 0 355.833 2.146 20 30 FEEDRO CC(C)(C)OC(=O)NC1CC[NH+](CCNC(=O)CCCCC#N)CC1 ZINC000927841247 683321146 /nfs/dbraw/zinc/32/11/46/683321146.db2.gz FBHNJXFLJDMYKG-UHFFFAOYSA-N 1 0 352.479 2.176 20 30 FEEDRO C[NH2+]CCN(C(=O)C(=O)Nc1scc(C(C)(C)C)c1C#N)C(C)C ZINC000927865761 683328057 /nfs/dbraw/zinc/32/80/57/683328057.db2.gz ZPTVSSFMRRWWQG-UHFFFAOYSA-N 1 0 350.488 2.312 20 30 FEEDRO Cc1ncc(S(=O)(=O)NC2CCC(C)([NH+]3CCCC3)CC2)cc1C#N ZINC000921280988 683412664 /nfs/dbraw/zinc/41/26/64/683412664.db2.gz KZTCCYNJVCXBSJ-UHFFFAOYSA-N 1 0 362.499 2.337 20 30 FEEDRO C[NH+](C)CC[C@@H](NS(=O)(=O)c1ccc(C#N)cc1F)c1cccnc1 ZINC000921481381 683481848 /nfs/dbraw/zinc/48/18/48/683481848.db2.gz IOGLIISRNHBYQO-MRXNPFEDSA-N 1 0 362.430 2.064 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)CCSc2ccc(OC)c(OC)c2)CC1 ZINC000928655582 683481983 /nfs/dbraw/zinc/48/19/83/683481983.db2.gz SURGNKHKQGOVFY-UHFFFAOYSA-N 1 0 362.495 2.400 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)Cc2cc(F)ccc2Br)CC1 ZINC000928655473 683482089 /nfs/dbraw/zinc/48/20/89/683482089.db2.gz XMCNIBDHQIEPGY-UHFFFAOYSA-N 1 0 353.235 2.345 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)c2ccc(Cl)c(N3CCCC3=O)c2)CC1 ZINC000928658783 683482592 /nfs/dbraw/zinc/48/25/92/683482592.db2.gz RBRZECNSUBNXDY-UHFFFAOYSA-N 1 0 359.857 2.294 20 30 FEEDRO C[NH+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C#N)C1CCCC1 ZINC000921554773 683500410 /nfs/dbraw/zinc/50/04/10/683500410.db2.gz OFEZQYUOJNBMMY-CABCVRRESA-N 1 0 352.479 2.030 20 30 FEEDRO Cc1cc(C#N)cc(C)c1C[NH2+]C[C@@](O)(c1nccn1C)C(F)(F)F ZINC000921735942 683560768 /nfs/dbraw/zinc/56/07/68/683560768.db2.gz QEFFGBDPWLRGHG-MRXNPFEDSA-N 1 0 352.360 2.448 20 30 FEEDRO C[NH+](C)CCCNC(=S)NN=Cc1ccc(C(=O)OC(C)(C)C)s1 ZINC000863093027 683676692 /nfs/dbraw/zinc/67/66/92/683676692.db2.gz UFKGMUNZFGWIGH-UHFFFAOYSA-N 1 0 370.544 2.453 20 30 FEEDRO Cc1cc(C#N)cc(C)c1C[NH2+]C[C@@H]1CS(=O)(=O)c2ccccc2O1 ZINC000922208799 683679761 /nfs/dbraw/zinc/67/97/61/683679761.db2.gz VLJBJPCXHBBNAX-MRXNPFEDSA-N 1 0 356.447 2.500 20 30 FEEDRO N#CC1(C[C@@H](O)C[NH2+]C[C@H](O)c2c(F)cccc2Cl)CCOCC1 ZINC000863560837 683742070 /nfs/dbraw/zinc/74/20/70/683742070.db2.gz AUIPGFLVISFYDM-DOMZBBRYSA-N 1 0 356.825 2.173 20 30 FEEDRO C[C@H](C[C@@H](O)c1ccc(F)cc1)[NH2+]C[C@H](O)CC1(C#N)CCOCC1 ZINC000863563248 683742770 /nfs/dbraw/zinc/74/27/70/683742770.db2.gz PEKFARMQPWQYLS-ZTFGCOKTSA-N 1 0 350.434 2.299 20 30 FEEDRO C[C@@](O)(C[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1)C(F)(F)C(F)(F)F ZINC000930541958 683749358 /nfs/dbraw/zinc/74/93/58/683749358.db2.gz QRPYNILNTGDVTH-WCQYABFASA-N 1 0 365.302 2.355 20 30 FEEDRO C[N@H+](C[C@@H](O)c1cccc(C#N)c1)C[C@](C)(O)C(F)(F)C(F)(F)F ZINC000930844889 683791861 /nfs/dbraw/zinc/79/18/61/683791861.db2.gz HNJXYXPEHBRNGE-OLZOCXBDSA-N 1 0 352.303 2.472 20 30 FEEDRO N#Cc1cccc(Br)c1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000865560640 683998320 /nfs/dbraw/zinc/99/83/20/683998320.db2.gz APVQNBXJOGXKLP-ZDUSSCGKSA-N 1 0 350.260 2.479 20 30 FEEDRO C=C(C)COc1cc(C[NH2+]CC(C)(C)CS(N)(=O)=O)ccc1OC ZINC000865813455 684032011 /nfs/dbraw/zinc/03/20/11/684032011.db2.gz TXJFGNCLXJECMW-UHFFFAOYSA-N 1 0 356.488 2.054 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)c2c(C)c(Br)c[nH]c2=O)CC1 ZINC000866014668 684060878 /nfs/dbraw/zinc/06/08/78/684060878.db2.gz CMXYEOMELKZYJX-UHFFFAOYSA-N 1 0 366.259 2.076 20 30 FEEDRO CC(C)[NH+]1CCC(N2CCN(C(=O)c3sccc3CC#N)CC2)CC1 ZINC000866818748 684160151 /nfs/dbraw/zinc/16/01/51/684160151.db2.gz URPZKRVOMSKIKG-UHFFFAOYSA-N 1 0 360.527 2.445 20 30 FEEDRO C#CCN1CCC[C@@H](NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C1 ZINC000923565259 684306576 /nfs/dbraw/zinc/30/65/76/684306576.db2.gz FBLGAZFTNDSSJN-GFCCVEGCSA-N 1 0 353.325 2.024 20 30 FEEDRO C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000867874119 684415943 /nfs/dbraw/zinc/41/59/43/684415943.db2.gz YCCHDQSCSZIAJO-HZSPNIEDSA-N 1 0 357.882 2.042 20 30 FEEDRO N#Cc1cccc([C@@H](NC(=O)N[C@H]2C[NH2+]CCC2(F)F)C(F)(F)F)c1 ZINC000868211297 684465084 /nfs/dbraw/zinc/46/50/84/684465084.db2.gz UDEIEFBIYBJQSU-NWDGAFQWSA-N 1 0 362.302 2.458 20 30 FEEDRO N#Cc1cccc([C@H](NC(=O)N[C@H]2C[NH2+]CCC2(F)F)C(F)(F)F)c1 ZINC000868211298 684465088 /nfs/dbraw/zinc/46/50/88/684465088.db2.gz UDEIEFBIYBJQSU-RYUDHWBXSA-N 1 0 362.302 2.458 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)NCc2ccc(Br)cn2)CC1 ZINC000868284927 684475292 /nfs/dbraw/zinc/47/52/92/684475292.db2.gz YYTQQNVFJRQAAI-UHFFFAOYSA-N 1 0 353.264 2.294 20 30 FEEDRO CSc1ccc(CN2C(=O)N[C@H](C[NH+]3CCCCC3)C2=O)cc1C#N ZINC000925120062 684525560 /nfs/dbraw/zinc/52/55/60/684525560.db2.gz VGIGXESYIAAMEX-OAHLLOKOSA-N 1 0 358.467 2.186 20 30 FEEDRO C#CCSCC[NH2+][C@@H]1CC2(CN(C(=O)OC(C)(C)C)C2)n2ccnc21 ZINC000925456597 684563741 /nfs/dbraw/zinc/56/37/41/684563741.db2.gz YYNTYSKANWFDRH-CQSZACIVSA-N 1 0 362.499 2.230 20 30 FEEDRO C#CCN(C(=O)NC[C@H](CC)C(=O)OC(C)(C)C)C1CC[NH+](C)CC1 ZINC000925692617 684578941 /nfs/dbraw/zinc/57/89/41/684578941.db2.gz OJZVDVMOFYCEPM-HNNXBMFYSA-N 1 0 351.491 2.093 20 30 FEEDRO C=C(C[NH+](C)C)C(=O)N[C@H]1C[C@H]2CC[C@@H]([C@@H]1C)N2C(=O)OC(C)(C)C ZINC000870499025 684725915 /nfs/dbraw/zinc/72/59/15/684725915.db2.gz REUUJVHHXPXVLY-WCVJEAGWSA-N 1 0 351.491 2.397 20 30 FEEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)c1ccc(OC(F)(F)F)cc1C(F)(F)F ZINC000870941329 684773631 /nfs/dbraw/zinc/77/36/31/684773631.db2.gz UXMDNSNLJUAQNX-HQJQHLMTSA-N 1 0 367.249 2.445 20 30 FEEDRO N#Cc1ccc(OC[C@H](O)C[NH2+]Cc2ccc(Br)cn2)cc1 ZINC000872233659 684930329 /nfs/dbraw/zinc/93/03/29/684930329.db2.gz DWIMHZKTTKUERA-OAHLLOKOSA-N 1 0 362.227 2.245 20 30 FEEDRO N#Cc1ccccc1OC[C@H](O)C[NH2+]C[C@H](O)Cc1cccc(Cl)c1 ZINC000872248496 684932077 /nfs/dbraw/zinc/93/20/77/684932077.db2.gz WAEZGUBMURVKEV-QZTJIDSGSA-N 1 0 360.841 2.145 20 30 FEEDRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000872663890 685000186 /nfs/dbraw/zinc/00/01/86/685000186.db2.gz PLMNRBCDSCAULU-HUUCEWRRSA-N 1 0 373.400 2.434 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N(CCC)CC(=O)Nc1ccccc1OC ZINC000876556711 686219470 /nfs/dbraw/zinc/21/94/70/686219470.db2.gz QHPJSQDALFHRIH-ZDUSSCGKSA-N 1 0 353.850 2.342 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC(NC(=O)c2ccc(F)cc2)CC1 ZINC000876580536 686223880 /nfs/dbraw/zinc/22/38/80/686223880.db2.gz NFZGDLGPWRDHKV-HNNXBMFYSA-N 1 0 353.825 2.016 20 30 FEEDRO C[NH+]1CCN(c2cc(CNCc3cc(C#N)cnc3Cl)ccn2)CC1 ZINC000876937583 686297792 /nfs/dbraw/zinc/29/77/92/686297792.db2.gz ZAIZZGOWKRHPMC-UHFFFAOYSA-N 1 0 356.861 2.043 20 30 FEEDRO N#Cc1cnc(Cl)c(CNC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000877059097 686319793 /nfs/dbraw/zinc/31/97/93/686319793.db2.gz QOWASNVVNXOEQQ-IBGZPJMESA-N 1 0 356.857 2.333 20 30 FEEDRO C=CCOc1cc(OC)ccc1C(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000877356404 686361123 /nfs/dbraw/zinc/36/11/23/686361123.db2.gz GTUQPMZJSUTHKA-BXUZGUMPSA-N 1 0 358.360 2.469 20 30 FEEDRO C#CCC[NH+]1CCN(C[C@H](O)COc2cc(Cl)cc(Cl)c2)CC1 ZINC000878313450 686563334 /nfs/dbraw/zinc/56/33/34/686563334.db2.gz GUMMOQZGVVEHQU-INIZCTEOSA-N 1 0 357.281 2.374 20 30 FEEDRO C[C@@H]1C[N@H+](C[C@H](O)CC2(C#N)CCOCC2)CC[C@H](C(F)(F)F)O1 ZINC000880065220 686992141 /nfs/dbraw/zinc/99/21/41/686992141.db2.gz RZLGYXDDEPJABV-MGPQQGTHSA-N 1 0 350.381 2.099 20 30 FEEDRO CO[C@@H]1COCC[C@H]1[N@H+](C)CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000880430395 687047800 /nfs/dbraw/zinc/04/78/00/687047800.db2.gz MFUHJLKQXHUCIA-HZPDHXFCSA-N 1 0 351.834 2.276 20 30 FEEDRO CC(C)[C@@H](CNc1ncc(C#N)cc1Br)N1CC[NH+](C)CC1 ZINC000881787926 687216051 /nfs/dbraw/zinc/21/60/51/687216051.db2.gz RSPHGXFSKORNCI-OAHLLOKOSA-N 1 0 366.307 2.400 20 30 FEEDRO CC[NH+]1CCN(CCCNc2ncc(C#N)cc2Br)CC1 ZINC000881803691 687221229 /nfs/dbraw/zinc/22/12/29/687221229.db2.gz DGBHUOVNLCZIJJ-UHFFFAOYSA-N 1 0 352.280 2.155 20 30 FEEDRO C=CCCc1ccc(S(=O)(=O)N[C@H](C)CCN2CC[NH+](C)CC2)cc1 ZINC000882081134 687300018 /nfs/dbraw/zinc/30/00/18/687300018.db2.gz VJVNLGGCVUAPCX-QGZVFWFLSA-N 1 0 365.543 2.110 20 30 FEEDRO C[C@@H]1CN(S(=O)(=O)c2ccccc2CC#N)CCN1c1cc[nH+]cc1 ZINC000882620273 687411966 /nfs/dbraw/zinc/41/19/66/687411966.db2.gz CNBQVIJOBVVJHO-OAHLLOKOSA-N 1 0 356.451 2.047 20 30 FEEDRO C[C@@H]1CC[N@H+](CCNC(=O)Nc2ccc(Br)c(C#N)n2)C1 ZINC000883093599 687562733 /nfs/dbraw/zinc/56/27/33/687562733.db2.gz ACQUTSCZGIEBSA-SNVBAGLBSA-N 1 0 352.236 2.179 20 30 FEEDRO C[N@@H+]1CC[C@@H]2CN(C(=O)Nc3ccc(Br)c(C#N)n3)CC[C@H]21 ZINC000883121966 687572174 /nfs/dbraw/zinc/57/21/74/687572174.db2.gz WMQTYZVMJWCXGC-ZWNOBZJWSA-N 1 0 364.247 2.274 20 30 FEEDRO C=CCC[C@H]([NH2+]C1CCN(S(=O)(=O)C(F)(F)F)CC1)[C@H]1CCCO1 ZINC000883197854 687586413 /nfs/dbraw/zinc/58/64/13/687586413.db2.gz UXPZMHHERDHSKZ-UONOGXRCSA-N 1 0 370.437 2.404 20 30 FEEDRO C=CCOCC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1[C@H]1CCOC1 ZINC000883215995 687589054 /nfs/dbraw/zinc/58/90/54/687589054.db2.gz JQHUKXCELVDPTF-GVDBMIGSSA-N 1 0 354.491 2.441 20 30 FEEDRO Cc1cccc(S(=O)(=O)N2CCN(c3cc[nH+]cc3)C[C@@H]2C)c1C#N ZINC000885847088 688167847 /nfs/dbraw/zinc/16/78/47/688167847.db2.gz CUMIYOCYXXFJOR-HNNXBMFYSA-N 1 0 356.451 2.161 20 30 FEEDRO O=C(C[N@@H+]1C[C@@H]2CSC[C@@H]2C1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000886564184 688275511 /nfs/dbraw/zinc/27/55/11/688275511.db2.gz PBOMLALYSQQOGA-GASCZTMLSA-N 1 0 368.424 2.468 20 30 FEEDRO C#CCN(C(=O)c1ccc(C2N=NC(=S)O2)cc1)C1CC[NH+](C)CC1 ZINC000886579085 688279255 /nfs/dbraw/zinc/27/92/55/688279255.db2.gz XLFWGSVJOXKCRO-UHFFFAOYSA-N 1 0 356.451 2.195 20 30 FEEDRO N#Cc1c(Cl)cccc1S(=O)(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886899365 688336024 /nfs/dbraw/zinc/33/60/24/688336024.db2.gz ISYOUOXECKMSET-INIZCTEOSA-N 1 0 353.875 2.366 20 30 FEEDRO C#CCC1([NH2+]CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CCOCC1 ZINC000887124448 688369735 /nfs/dbraw/zinc/36/97/35/688369735.db2.gz DYODXZVXXRNCGE-UHFFFAOYSA-N 1 0 351.790 2.349 20 30 FEEDRO C[NH+](C)[C@@H](CNC(=O)N1CCO[C@@](C)(C#N)C1)c1ccc(Cl)cc1 ZINC000893382171 689339773 /nfs/dbraw/zinc/33/97/73/689339773.db2.gz NVTUDNJSTCANAM-RDJZCZTQSA-N 1 0 350.850 2.267 20 30 FEEDRO C#CC[NH+]1CCC(Nc2cnn(Cc3ccccc3)c(=O)c2Cl)CC1 ZINC000895803644 689773451 /nfs/dbraw/zinc/77/34/51/689773451.db2.gz JNRSKHOCAHWMAA-UHFFFAOYSA-N 1 0 356.857 2.455 20 30 FEEDRO C=CCOc1c(Br)cc(C[NH2+][C@]2(C)CCNC2=O)cc1OC ZINC000897873375 690094770 /nfs/dbraw/zinc/09/47/70/690094770.db2.gz NJURTLDIZMQGFN-MRXNPFEDSA-N 1 0 369.259 2.391 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)N1CCN(C(=O)Cc2ccc(Cl)cc2)CC1 ZINC000900239308 690489163 /nfs/dbraw/zinc/48/91/63/690489163.db2.gz AQIREILOLBUNNP-UHFFFAOYSA-N 1 0 363.889 2.061 20 30 FEEDRO C[C@H](NC(=O)c1c(Cl)cc(C#N)cc1Cl)[C@@H]1C[N@H+](C)CCN1C ZINC000900801169 690564148 /nfs/dbraw/zinc/56/41/48/690564148.db2.gz BJENEGDEFYUZII-HZMBPMFUSA-N 1 0 355.269 2.229 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)NC[C@@H](O)COc1cccc(Cl)c1Cl ZINC000901069015 690608218 /nfs/dbraw/zinc/60/82/18/690608218.db2.gz KEVBVKPTZGRIMT-GFCCVEGCSA-N 1 0 361.269 2.357 20 30 FEEDRO C#CCN(C(=O)Nc1cccc(N2CC[NH+](CC)CC2)c1)C1CSC1 ZINC000903245947 690875385 /nfs/dbraw/zinc/87/53/85/690875385.db2.gz JSEKLLOPRILBII-UHFFFAOYSA-N 1 0 358.511 2.411 20 30 FEEDRO C[C@H](NC(=O)OC(C)(C)C)[C@H]1COCC[C@@H]1[NH2+]Cc1nc(C#N)cs1 ZINC000903262689 690876400 /nfs/dbraw/zinc/87/64/00/690876400.db2.gz GRVUZKMSIBGKNO-YUTCNCBUSA-N 1 0 366.487 2.423 20 30 FEEDRO CO[C@]1(C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)CCS(=O)(=O)C1 ZINC000903364725 690886290 /nfs/dbraw/zinc/88/62/90/690886290.db2.gz BBVUDMRNFFCGGH-ACBHZAAOSA-N 1 0 362.495 2.184 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903519064 690908634 /nfs/dbraw/zinc/90/86/34/690908634.db2.gz VUTMGDSGVVHYKL-IACUBPJLSA-N 1 0 361.433 2.473 20 30 FEEDRO Cc1ccc(S(=O)(=O)N2C[C@@H](C[NH3+])Cc3cc(F)ccc32)c(C#N)c1 ZINC000903588364 690933205 /nfs/dbraw/zinc/93/32/05/690933205.db2.gz KVTRPGYNCOWZPO-CYBMUJFWSA-N 1 0 359.426 2.332 20 30 FEEDRO C[C@](O)(C[NH2+][C@@H]1CCCN(CC(F)(F)F)C1=O)C(F)(F)C(F)(F)F ZINC000905183731 691076741 /nfs/dbraw/zinc/07/67/41/691076741.db2.gz UXPBFSDLGDEITR-APPZFPTMSA-N 1 0 372.256 2.078 20 30 FEEDRO C[C@@H](C[NH2+]C[C@@H](O)CN(C)CCC#N)c1ccc(Br)cc1 ZINC000905644245 691155682 /nfs/dbraw/zinc/15/56/82/691155682.db2.gz OWVRHICETBBNBH-XJKSGUPXSA-N 1 0 354.292 2.349 20 30 FEEDRO CN1CC[N@H+](C)CC(C(=O)N[C@@H](C#N)c2ccc(Cl)c(Cl)c2)C1 ZINC000906630400 691294450 /nfs/dbraw/zinc/29/44/50/691294450.db2.gz QFLXGAIANGZVLZ-HNNXBMFYSA-N 1 0 355.269 2.168 20 30 FEEDRO CCOC(=O)C1CC[NH+](C2CCN(c3ncc(F)cc3C#N)CC2)CC1 ZINC001164614099 719023006 /nfs/dbraw/zinc/02/30/06/719023006.db2.gz NFYGHKGGHBYYMI-UHFFFAOYSA-N 1 0 360.433 2.336 20 30 FEEDRO Cc1nc(N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)ccc1C#N ZINC001164812364 720228528 /nfs/dbraw/zinc/22/85/28/720228528.db2.gz GQGBUOLRDWAIGR-UHFFFAOYSA-N 1 0 366.469 2.069 20 30 FEEDRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2nccc(F)c2C#N)CC1 ZINC001164826296 720325184 /nfs/dbraw/zinc/32/51/84/720325184.db2.gz GEDBXSRFSDOQTP-ROUUACIJSA-N 1 0 371.460 2.004 20 30 FEEDRO N#Cc1cc2c(nc1N1CC[C@@H]3[C@@H]1CC[N@@H+]3Cc1cccnc1)CCOC2 ZINC001164735888 720465094 /nfs/dbraw/zinc/46/50/94/720465094.db2.gz ZAAMEJDARPQYKF-UXHICEINSA-N 1 0 361.449 2.274 20 30 FEEDRO CCc1nc(C#N)c(C#N)nc1N1CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164724809 720473203 /nfs/dbraw/zinc/47/32/03/720473203.db2.gz HVLJDZZRCGMRBC-RTBURBONSA-N 1 0 359.437 2.031 20 30 FEEDRO CN(CC[NH+]1CCCC1)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 ZINC000513113744 810779197 /nfs/dbraw/zinc/77/91/97/810779197.db2.gz RNONXKAZYIYGES-UHFFFAOYSA-N 1 0 356.405 2.443 20 30 FEEDRO N#Cc1ccc(-n2ccc(NC(=O)N3C[C@@H]4CC[C@H]([NH3+])[C@H]4C3)n2)c(F)c1 ZINC000517713920 817554133 /nfs/dbraw/zinc/55/41/33/817554133.db2.gz DZYSDPRIYLMZOW-YDHLFZDLSA-N 1 0 354.389 2.084 20 30 FEEDRO C#CC[N@@H+](C)CCCNC(=O)Cc1cc(OC)ccc1Br ZINC000818605991 675228049 /nfs/dbraw/zinc/22/80/49/675228049.db2.gz AQIPGLOBTHBYFD-UHFFFAOYSA-N 1 0 353.260 2.072 20 30 FEEDRO C[NH+]1CCC(CNC(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CC1 ZINC000513096986 538985801 /nfs/dbraw/zinc/98/58/01/538985801.db2.gz QWNFQFDOLXCLOW-UHFFFAOYSA-N 1 0 356.405 2.346 20 30 FEEDRO C#CCN(C)CCC[NH2+]C[C@@](C)(O)c1ccc(Br)cc1F ZINC000819334136 675282272 /nfs/dbraw/zinc/28/22/72/675282272.db2.gz COAVWHMYCORYJU-MRXNPFEDSA-N 1 0 357.267 2.340 20 30 FEEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000012913846 539578431 /nfs/dbraw/zinc/57/84/31/539578431.db2.gz HXPOTGDRSKAKSB-INIZCTEOSA-N 1 0 372.494 2.277 20 30 FEEDRO CNC(=S)C(C(=O)c1ccc(OC)cc1OC)[n+]1ccc(N(C)C)cc1 ZINC000027302411 539804922 /nfs/dbraw/zinc/80/49/22/539804922.db2.gz FFXUECWZCHRSAO-UHFFFAOYSA-O 1 0 374.486 2.216 20 30 FEEDRO C=CC[N@H+](Cc1ccccc1)C[C@@H](O)CN1C(=O)c2ccccc2C1=O ZINC000028922724 539839647 /nfs/dbraw/zinc/83/96/47/539839647.db2.gz PYZCVDLCNAAHTQ-QGZVFWFLSA-N 1 0 350.418 2.332 20 30 FEEDRO CC[NH+]1CCC(NC(=O)CSc2nc3c(c(C)c2C#N)CCC3)CC1 ZINC000030028275 539872850 /nfs/dbraw/zinc/87/28/50/539872850.db2.gz SIOXRMCGIWPLOH-UHFFFAOYSA-N 1 0 358.511 2.443 20 30 FEEDRO COc1ccc(C(=O)NC2(C#N)CC[NH+](C)CC2)cc1Br ZINC000040221911 540009208 /nfs/dbraw/zinc/00/92/08/540009208.db2.gz DRPXYJYMXCVAHH-UHFFFAOYSA-N 1 0 352.232 2.175 20 30 FEEDRO N#Cc1ccc(NC(=O)C[NH2+][C@@H](C2CC2)[C@@]2(CO)CCCO2)cc1Cl ZINC000550502331 674098888 /nfs/dbraw/zinc/09/88/88/674098888.db2.gz HCJFQPDEHOAANR-ROUUACIJSA-N 1 0 363.845 2.060 20 30 FEEDRO CC(=O)NCCCCCC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000047010540 540284576 /nfs/dbraw/zinc/28/45/76/540284576.db2.gz DCRHVVDQEMDRSK-UHFFFAOYSA-N 1 0 358.486 2.145 20 30 FEEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000047415455 540308521 /nfs/dbraw/zinc/30/85/21/540308521.db2.gz DKPYFOIWBGCIBB-UONOGXRCSA-N 1 0 358.486 2.033 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)S(=O)(=O)c1cccc(F)c1 ZINC000047281118 540301877 /nfs/dbraw/zinc/30/18/77/540301877.db2.gz FGUAHKJTIDKPAV-UHFFFAOYSA-N 1 0 361.442 2.450 20 30 FEEDRO N#Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)cc1 ZINC000048852043 540375368 /nfs/dbraw/zinc/37/53/68/540375368.db2.gz OYHRPHSVBAHMND-LJQANCHMSA-N 1 0 362.433 2.450 20 30 FEEDRO CCOCCCNC(=O)C1CC[NH+](CCOc2cccc(C#N)c2)CC1 ZINC000051739015 540442711 /nfs/dbraw/zinc/44/27/11/540442711.db2.gz RRQSTOKRSWNHCJ-UHFFFAOYSA-N 1 0 359.470 2.192 20 30 FEEDRO C=CCNC(=O)NC(=O)[C@H](C)[N@H+](C)CCCOc1cccc(Cl)c1 ZINC000053742207 540551959 /nfs/dbraw/zinc/55/19/59/540551959.db2.gz XNIGILKWKZPFOQ-ZDUSSCGKSA-N 1 0 353.850 2.441 20 30 FEEDRO N#Cc1ccc(OCCC[NH+]2CCC(C(=O)Nc3cnccn3)CC2)cc1 ZINC000054250834 540577798 /nfs/dbraw/zinc/57/77/98/540577798.db2.gz JSCDKCRHYLKIAD-UHFFFAOYSA-N 1 0 365.437 2.468 20 30 FEEDRO CCCCn1nnnc1CN1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000055172087 540632685 /nfs/dbraw/zinc/63/26/85/540632685.db2.gz SMMWJEQTHCNHOB-UHFFFAOYSA-N 1 0 353.474 2.053 20 30 FEEDRO N#Cc1ccccc1OCC(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000057166283 540774342 /nfs/dbraw/zinc/77/43/42/540774342.db2.gz UFKHNHHTSHRDSL-UHFFFAOYSA-N 1 0 350.422 2.113 20 30 FEEDRO CC[NH+]1CCN(c2ccc(CNC(=O)Nc3cccc(C#N)c3)cn2)CC1 ZINC000060977009 541124197 /nfs/dbraw/zinc/12/41/97/541124197.db2.gz QAZTUWLCDKIWER-UHFFFAOYSA-N 1 0 364.453 2.417 20 30 FEEDRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)N2CCC(C#N)CC2)CC1 ZINC000060990237 541124353 /nfs/dbraw/zinc/12/43/53/541124353.db2.gz KAGHHDHBXPWCTN-UHFFFAOYSA-N 1 0 369.513 2.269 20 30 FEEDRO COCC[N@H+](CCc1nc2ccccc2c(=O)[nH]1)Cc1ccc(C#N)cc1 ZINC000063753464 541183912 /nfs/dbraw/zinc/18/39/12/541183912.db2.gz XROYWDKHFCNGQQ-UHFFFAOYSA-N 1 0 362.433 2.486 20 30 FEEDRO N#Cc1cccnc1N1CCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000064634557 541214031 /nfs/dbraw/zinc/21/40/31/541214031.db2.gz HLMMWXHQKPEOQS-UHFFFAOYSA-N 1 0 367.409 2.453 20 30 FEEDRO CC(=O)N[C@@H](CC(=O)N(CCC#N)CCC[NH+](C)C)c1cccs1 ZINC000064361726 541203169 /nfs/dbraw/zinc/20/31/69/541203169.db2.gz OWOBPYZWHSMAAO-HNNXBMFYSA-N 1 0 350.488 2.009 20 30 FEEDRO C=CCOc1cccc(NC(=O)C(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)c1 ZINC000067345251 541447207 /nfs/dbraw/zinc/44/72/07/541447207.db2.gz IZFADYPCIWRGJU-HOTGVXAUSA-N 1 0 359.470 2.427 20 30 FEEDRO CC1CC[NH+](C[C@H](O)CNC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000067537226 541476481 /nfs/dbraw/zinc/47/64/81/541476481.db2.gz LIZIKXKZIBDDMX-OAHLLOKOSA-N 1 0 350.850 2.426 20 30 FEEDRO C=CC[C@@H]1N(C(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)CCCC1(C)C ZINC000550838873 674113960 /nfs/dbraw/zinc/11/39/60/674113960.db2.gz MDLZQBZBQQCGST-KXBFYZLASA-N 1 0 367.559 2.133 20 30 FEEDRO N#Cc1ccc(N2CC[C@H](N3CC[C@H](C[NH+]4CCCCC4)C3)C2=O)cc1 ZINC000072719811 541858080 /nfs/dbraw/zinc/85/80/80/541858080.db2.gz QZEZPNFPIZKYKZ-QUCCMNQESA-N 1 0 352.482 2.471 20 30 FEEDRO CCC[C@@]1(C)CCC[N@H+](CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C1 ZINC000072896282 541891100 /nfs/dbraw/zinc/89/11/00/541891100.db2.gz FYFMXINYTICVCO-FQEVSTJZSA-N 1 0 373.501 2.406 20 30 FEEDRO N#Cc1ccc(CO[NH+]=C(N)c2ccc(N3CCC(O)CC3)cc2)cc1 ZINC000072921403 541894044 /nfs/dbraw/zinc/89/40/44/541894044.db2.gz GZAHCLBRUOQYAI-UHFFFAOYSA-N 1 0 350.422 2.356 20 30 FEEDRO Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000545197751 541900219 /nfs/dbraw/zinc/90/02/19/541900219.db2.gz OAHZBIHRWOXDLY-MRXNPFEDSA-N 1 0 365.441 2.149 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)[C@@H]2CCCN(C(=O)NC3CCCC3)C2)CC1 ZINC000073436512 541953750 /nfs/dbraw/zinc/95/37/50/541953750.db2.gz DSQPMHCWWZPETP-MRXNPFEDSA-N 1 0 362.518 2.117 20 30 FEEDRO COC(=O)[C@H]1CCC[C@H](C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)C1 ZINC000073705391 541989230 /nfs/dbraw/zinc/98/92/30/541989230.db2.gz FRRICYRZNFVATE-OALUTQOASA-N 1 0 371.481 2.428 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@H]2C(=O)N(CC)CC)CC1 ZINC000074129997 542040996 /nfs/dbraw/zinc/04/09/96/542040996.db2.gz WJQQVKCJQSJIAQ-KRWDZBQOSA-N 1 0 350.507 2.069 20 30 FEEDRO C=CCN(CCc1ccccc1)C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000074656846 542108620 /nfs/dbraw/zinc/10/86/20/542108620.db2.gz DPPMISNZQZHMED-LJQANCHMSA-N 1 0 358.530 2.310 20 30 FEEDRO CCN1CC[NH+](C[C@@H](C)CNC(=O)N[C@H](C)c2cccc(C#N)c2)CC1 ZINC000074659205 542109944 /nfs/dbraw/zinc/10/99/44/542109944.db2.gz NPMPQPUKMBJPRA-DLBZAZTESA-N 1 0 357.502 2.192 20 30 FEEDRO C[C@@H](NC(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1)c1cccc(C#N)c1 ZINC000074917968 542135977 /nfs/dbraw/zinc/13/59/77/542135977.db2.gz GARCSCLKRQCRTP-APWZRJJASA-N 1 0 355.486 2.041 20 30 FEEDRO C[C@@H](NC(=O)N(C)CC[N@H+](C)C1CCN(C)CC1)c1cccc(C#N)c1 ZINC000074917544 542136333 /nfs/dbraw/zinc/13/63/33/542136333.db2.gz OLZPRGCQKAKKKK-MRXNPFEDSA-N 1 0 357.502 2.287 20 30 FEEDRO C=CCNC(=O)NC(=O)C[N@H+](CCc1ccc(C)cc1)C[C@H]1CCCO1 ZINC000076000246 542223327 /nfs/dbraw/zinc/22/33/27/542223327.db2.gz QOHDRDVHSSCTRL-GOSISDBHSA-N 1 0 359.470 2.030 20 30 FEEDRO N#Cc1ccc(N2CCN(C(=O)N[C@@H]3CC[N@H+](CC4CC4)C3)CC2)c(F)c1 ZINC000076982096 542338619 /nfs/dbraw/zinc/33/86/19/542338619.db2.gz NDFLAMXFSVCMEV-QGZVFWFLSA-N 1 0 371.460 2.013 20 30 FEEDRO Cc1cc(C#N)ccc1S(=O)(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000077386823 542376618 /nfs/dbraw/zinc/37/66/18/542376618.db2.gz AFUABLBPLVPPJL-SFHVURJKSA-N 1 0 357.479 2.318 20 30 FEEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000077371650 542374129 /nfs/dbraw/zinc/37/41/29/542374129.db2.gz YAFYDFMNDPVIQI-UTKZUKDTSA-N 1 0 354.498 2.391 20 30 FEEDRO C[NH+]1CCN(c2cc(CNC(=O)Nc3ccc(F)c(C#N)c3)ccn2)CC1 ZINC000077499557 542389145 /nfs/dbraw/zinc/38/91/45/542389145.db2.gz BAXSZLDRXWDOFT-UHFFFAOYSA-N 1 0 368.416 2.166 20 30 FEEDRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@H](Oc2ccccc2C#N)C(C)C)C1 ZINC000080210580 542575184 /nfs/dbraw/zinc/57/51/84/542575184.db2.gz MGFPQBBKOUUFCZ-UYAOXDASSA-N 1 0 373.497 2.435 20 30 FEEDRO CO[C@H](CNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)C(C)C ZINC000080603473 542595965 /nfs/dbraw/zinc/59/59/65/542595965.db2.gz TWHCIYWSTPMRTQ-LJQANCHMSA-N 1 0 358.486 2.447 20 30 FEEDRO CC(C)C1CCC([NH+]2CCN(CC(=O)N(CCC#N)CCC#N)CC2)CC1 ZINC000084715731 542719864 /nfs/dbraw/zinc/71/98/64/542719864.db2.gz RCRHGTMMIXREOY-UHFFFAOYSA-N 1 0 373.545 2.475 20 30 FEEDRO CCc1nc(CNC2=[NH+]C[C@H]3CN(C(=O)OC(C)(C)C)CCN23)cs1 ZINC000089120880 542758123 /nfs/dbraw/zinc/75/81/23/542758123.db2.gz NTLANZCQHPXYIN-ZDUSSCGKSA-N 1 0 365.503 2.086 20 30 FEEDRO Cc1cc(C)c(C#N)c(N2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)n1 ZINC000091456212 542808648 /nfs/dbraw/zinc/80/86/48/542808648.db2.gz MHCNRSWHSMQTOA-UHFFFAOYSA-N 1 0 371.529 2.491 20 30 FEEDRO C[NH+](C)[C@H]1CC[C@@H](NC(=O)N2CCCN(c3ccccc3C#N)CC2)C1 ZINC000091760677 542824432 /nfs/dbraw/zinc/82/44/32/542824432.db2.gz CVOIFSAQIYOAHI-MSOLQXFVSA-N 1 0 355.486 2.263 20 30 FEEDRO CCS[C@H]1CCCC[N@H+](CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)C1 ZINC000092618634 542875567 /nfs/dbraw/zinc/87/55/67/542875567.db2.gz PMKXNWHHCRMHKF-ROUUACIJSA-N 1 0 366.575 2.286 20 30 FEEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)Cc1cn2ccccc2n1 ZINC000102638405 543075519 /nfs/dbraw/zinc/07/55/19/543075519.db2.gz FHRXFRJKOUUQIR-UHFFFAOYSA-N 1 0 361.449 2.339 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)Nc1ccc(F)c(C#N)c1)C(C)C ZINC000102962988 543086859 /nfs/dbraw/zinc/08/68/59/543086859.db2.gz KMCWAMWWWKEDKK-SFHVURJKSA-N 1 0 372.444 2.451 20 30 FEEDRO CCCNC(=O)CCCC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000104138174 543124257 /nfs/dbraw/zinc/12/42/57/543124257.db2.gz ZXZMWSOMXODVPY-UHFFFAOYSA-N 1 0 370.497 2.289 20 30 FEEDRO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+](C)C[C@@H]1CCCN1c1cccnn1 ZINC000106087250 543193591 /nfs/dbraw/zinc/19/35/91/543193591.db2.gz BDZULLLLLCDDHQ-IRXDYDNUSA-N 1 0 370.501 2.108 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cccc(OCC(=O)N(C)C)c2)CC1 ZINC000106321507 543222930 /nfs/dbraw/zinc/22/29/30/543222930.db2.gz VVGYGVAZMDZJHL-UHFFFAOYSA-N 1 0 374.485 2.316 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@H](CNC(=O)CCC)C2)CC1 ZINC000106340899 543224813 /nfs/dbraw/zinc/22/48/13/543224813.db2.gz GLVGPFHROFTPQA-QGZVFWFLSA-N 1 0 364.534 2.365 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCN(c3cccc(O)c3)CC2)CC1 ZINC000106341291 543224831 /nfs/dbraw/zinc/22/48/31/543224831.db2.gz BNYQOWFPUQPVSK-UHFFFAOYSA-N 1 0 358.486 2.264 20 30 FEEDRO COCC[N@H+](C)CC[C@@H](NC(=O)c1ccc(C#N)cn1)c1ccccc1 ZINC000107477156 543271166 /nfs/dbraw/zinc/27/11/66/543271166.db2.gz FZEYNQFAZUELEY-GOSISDBHSA-N 1 0 352.438 2.393 20 30 FEEDRO N#CCCSc1ccccc1NC(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000108613193 543298117 /nfs/dbraw/zinc/29/81/17/543298117.db2.gz HWHCGJJVUSGGAX-OAHLLOKOSA-N 1 0 372.494 2.328 20 30 FEEDRO C=CC[N@@H+](CCC(=O)Nc1cccc(S(N)(=O)=O)c1)Cc1ccccc1 ZINC000109105284 543314234 /nfs/dbraw/zinc/31/42/34/543314234.db2.gz NFYKNQGJMZXJIH-UHFFFAOYSA-N 1 0 373.478 2.351 20 30 FEEDRO N#Cc1ccccc1NC(=O)CC[N@@H+]1CCC[C@@H]1C(=O)NCc1ccco1 ZINC000109093652 543314267 /nfs/dbraw/zinc/31/42/67/543314267.db2.gz QTBICPLEQRSLLH-GOSISDBHSA-N 1 0 366.421 2.261 20 30 FEEDRO N#CC1(C(=O)N[C@@H]2CCCN(Cc3c(F)cccc3F)C2)CCOCC1 ZINC000110981301 543377047 /nfs/dbraw/zinc/37/70/47/543377047.db2.gz WAKNEBOPDMSBTM-CQSZACIVSA-N 1 0 363.408 2.366 20 30 FEEDRO N#C[C@@]1(NC(=O)CCC[NH+]2CCN(c3ccccc3)CC2)CCSC1 ZINC000111566217 543406799 /nfs/dbraw/zinc/40/67/99/543406799.db2.gz WKUFKQFHJFBRFO-IBGZPJMESA-N 1 0 358.511 2.104 20 30 FEEDRO C#CCOc1ccc(C[NH2+]CC[C@](O)(c2nccn2C)C(F)(F)F)cc1 ZINC000113326539 543483937 /nfs/dbraw/zinc/48/39/37/543483937.db2.gz QSVLTEFQWSEXBG-KRWDZBQOSA-N 1 0 367.371 2.362 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N[C@@H](c2noc(C)n2)c2ccccc2F)CC1 ZINC000114649685 543527614 /nfs/dbraw/zinc/52/76/14/543527614.db2.gz DJLCMDVAZOCRAR-QGZVFWFLSA-N 1 0 356.401 2.068 20 30 FEEDRO COc1cc(C#N)ccc1OCC(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000115416464 543566193 /nfs/dbraw/zinc/56/61/93/543566193.db2.gz PGUBWYASHRRGNU-UHFFFAOYSA-N 1 0 371.412 2.463 20 30 FEEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000118105489 543645703 /nfs/dbraw/zinc/64/57/03/543645703.db2.gz LQHZXCFFSGADRQ-KBPBESRZSA-N 1 0 360.483 2.087 20 30 FEEDRO C=CCCS(=O)(=O)N[C@H](CC)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000121634587 543697758 /nfs/dbraw/zinc/69/77/58/543697758.db2.gz ZOLOAHSOKRUBDY-MSOLQXFVSA-N 1 0 352.500 2.162 20 30 FEEDRO CCN(CC)C(=O)C1([NH2+]CC(=O)N[C@](C)(C#N)C(C)C)CCCCC1 ZINC000118847023 543660051 /nfs/dbraw/zinc/66/00/51/543660051.db2.gz WPWIMJFVXURVIZ-GOSISDBHSA-N 1 0 350.507 2.202 20 30 FEEDRO C=CC[C@@H](C)NC(=O)C(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1 ZINC000118948743 543661475 /nfs/dbraw/zinc/66/14/75/543661475.db2.gz NRHLSPNVHYFQBE-MRXNPFEDSA-N 1 0 372.513 2.484 20 30 FEEDRO C[C@H]1CCC[N@@H+]1C1CCN(C(=O)C(=O)Nc2ccc(CC#N)cc2)CC1 ZINC000121800868 543699614 /nfs/dbraw/zinc/69/96/14/543699614.db2.gz CNRPIJXWNNVRAD-HNNXBMFYSA-N 1 0 354.454 2.166 20 30 FEEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccccc2O[C@@H](C)C#N)[C@H](C)C1 ZINC000119799922 543671755 /nfs/dbraw/zinc/67/17/55/543671755.db2.gz GETBNAQNIWWEIX-VYDXJSESSA-N 1 0 372.469 2.105 20 30 FEEDRO C[C@H]1C[C@H](NC(=O)C(=O)Nc2cccc(C#N)c2)C[N@@H+]1Cc1ccccc1 ZINC000122818479 543725623 /nfs/dbraw/zinc/72/56/23/543725623.db2.gz OQLUZDFGBPBMDR-KXBFYZLASA-N 1 0 362.433 2.276 20 30 FEEDRO Cc1cc2cc(NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C)ccc2[nH]1 ZINC000122134649 543703617 /nfs/dbraw/zinc/70/36/17/543703617.db2.gz SGEKUVUPAJAYFF-UHFFFAOYSA-N 1 0 355.442 2.109 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1ccc(Cl)c(F)c1 ZINC000122106348 543703923 /nfs/dbraw/zinc/70/39/23/543703923.db2.gz BLXMZLTVRAMXAI-UHFFFAOYSA-N 1 0 354.813 2.112 20 30 FEEDRO C=CCNC(=O)CN1CCN(CC(C)(C)C[N@H+](C)Cc2ccccc2)CC1 ZINC000122238482 543705133 /nfs/dbraw/zinc/70/51/33/543705133.db2.gz ZBTNCGUWDGOXIB-UHFFFAOYSA-N 1 0 372.557 2.064 20 30 FEEDRO C[N@H+](CCC(=O)Nc1ccc(C#N)cc1)CC(C)(C)CN1CCOCC1 ZINC000124313274 543813280 /nfs/dbraw/zinc/81/32/80/543813280.db2.gz XLAMRVZNYPCKEG-UHFFFAOYSA-N 1 0 358.486 2.177 20 30 FEEDRO CCCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](CC(=O)NC2(C#N)CCCCC2)C1 ZINC000124009446 543796439 /nfs/dbraw/zinc/79/64/39/543796439.db2.gz VJHCNVURKLUWMS-DLBZAZTESA-N 1 0 362.518 2.346 20 30 FEEDRO C[NH+](C)C1CCN(CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC1 ZINC000127872607 544018575 /nfs/dbraw/zinc/01/85/75/544018575.db2.gz CZZMAEJAMZRBFH-UHFFFAOYSA-N 1 0 367.415 2.199 20 30 FEEDRO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000130209332 544142963 /nfs/dbraw/zinc/14/29/63/544142963.db2.gz AWRXGUFGTIOVLT-GOSISDBHSA-N 1 0 355.442 2.358 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(-c3ccc(F)cc3)on2)c1C#N ZINC000133426711 544269006 /nfs/dbraw/zinc/26/90/06/544269006.db2.gz DBNPKAXFEMKBBO-UHFFFAOYSA-N 1 0 368.372 2.480 20 30 FEEDRO C=C(C)COc1cccc(NC(=O)C(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)c1 ZINC000134127785 544294951 /nfs/dbraw/zinc/29/49/51/544294951.db2.gz STPRTESXLMGVSS-MRXNPFEDSA-N 1 0 359.470 2.380 20 30 FEEDRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)Nc2ccc(C#N)cc2F)C1 ZINC000136039483 544365657 /nfs/dbraw/zinc/36/56/57/544365657.db2.gz QKHXGOOUGDUBFG-ZDUSSCGKSA-N 1 0 360.433 2.263 20 30 FEEDRO CC[NH+](CC)[C@@H](CNC(=O)C(=O)Nc1ccc(C#N)cc1F)c1ccco1 ZINC000136117252 544366805 /nfs/dbraw/zinc/36/68/05/544366805.db2.gz FGSZSQBQSNYBBQ-INIZCTEOSA-N 1 0 372.400 2.428 20 30 FEEDRO C[C@H]1C[C@H](NC(=O)C(=O)Nc2ccccc2SCCC#N)C[N@@H+]1C1CC1 ZINC000151866927 544590386 /nfs/dbraw/zinc/59/03/86/544590386.db2.gz WSKNANWDTFBUAX-KBPBESRZSA-N 1 0 372.494 2.372 20 30 FEEDRO C[C@@H](C(=O)N1CCCc2ccccc21)[N@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000153271610 544754980 /nfs/dbraw/zinc/75/49/80/544754980.db2.gz RUASPGBWDSSPRY-AWEZNQCLSA-N 1 0 366.469 2.096 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)Nc1ccc(C)nc1C)C(C)C ZINC000154543573 544919575 /nfs/dbraw/zinc/91/95/75/544919575.db2.gz RLMPDMRGKKAGEV-SFHVURJKSA-N 1 0 358.486 2.452 20 30 FEEDRO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCC(OCCCO)CC1 ZINC000154898558 544962970 /nfs/dbraw/zinc/96/29/70/544962970.db2.gz ADBOKLHIXBLSJL-ZDUSSCGKSA-N 1 0 365.861 2.402 20 30 FEEDRO C[NH+]1CCN(Cc2cccc(NC(=O)CNc3cccc(C#N)c3)c2)CC1 ZINC000154911848 544965344 /nfs/dbraw/zinc/96/53/44/544965344.db2.gz UPPMAYGWACLVOW-UHFFFAOYSA-N 1 0 363.465 2.356 20 30 FEEDRO CC[NH+](CC)CCCNS(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000155063821 544984641 /nfs/dbraw/zinc/98/46/41/544984641.db2.gz TXWUDNWCGXCXME-UHFFFAOYSA-N 1 0 374.304 2.331 20 30 FEEDRO C=C(C[NH+](C)C)C(=O)N1CCN(c2cccc(Br)c2)CC1 ZINC000803677813 674254102 /nfs/dbraw/zinc/25/41/02/674254102.db2.gz IJXBUUUHGYRJGJ-UHFFFAOYSA-N 1 0 352.276 2.216 20 30 FEEDRO CCc1cc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc(=O)[nH]1 ZINC000181379086 327727662 /nfs/dbraw/zinc/72/76/62/327727662.db2.gz HQEGPBFRXSLTBQ-UHFFFAOYSA-N 1 0 352.438 2.013 20 30 FEEDRO C[C@H](C[NH+]1CCCCC1)NC(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000184592231 327874355 /nfs/dbraw/zinc/87/43/55/327874355.db2.gz XURHYAKQYPKJGI-CQSZACIVSA-N 1 0 353.430 2.135 20 30 FEEDRO COC(=O)COc1ccc([C@@H](C)[NH2+]C[C@H](O)c2ccc(C#N)cc2)cc1 ZINC000185671558 327927288 /nfs/dbraw/zinc/92/72/88/327927288.db2.gz GNBBIMKFOVFWPJ-KUHUBIRLSA-N 1 0 354.406 2.494 20 30 FEEDRO C[C@@H](NC(=O)CNC(=O)c1ccc(C#N)cc1)[C@@H](c1ccccc1)[NH+](C)C ZINC000186494891 327964641 /nfs/dbraw/zinc/96/46/41/327964641.db2.gz ROLYTDYUTXFGLK-QRWLVFNGSA-N 1 0 364.449 2.096 20 30 FEEDRO C[C@H](c1cccc(C#N)c1)[NH+]1CCC(CNC(=O)c2cnn(C)c2)CC1 ZINC000187668787 328038632 /nfs/dbraw/zinc/03/86/32/328038632.db2.gz DCRFFVQSGXYRIX-OAHLLOKOSA-N 1 0 351.454 2.495 20 30 FEEDRO CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)Cc1ccc(C#N)cc1 ZINC000188168947 328070750 /nfs/dbraw/zinc/07/07/50/328070750.db2.gz RLYPGNGAUZGSFY-JOCHJYFZSA-N 1 0 363.461 2.196 20 30 FEEDRO C[NH+](C)CCOc1cc(CNC(=O)C2(c3ccc(C#N)cc3)CC2)ccn1 ZINC000188955045 328119626 /nfs/dbraw/zinc/11/96/26/328119626.db2.gz QCMPDVZKGWMDLD-UHFFFAOYSA-N 1 0 364.449 2.242 20 30 FEEDRO Cn1cc(CN2CCN(Cc3nc(-c4cccs4)no3)CC2)cc1C#N ZINC000191205275 328253916 /nfs/dbraw/zinc/25/39/16/328253916.db2.gz DAUWJIBUGCKLLC-UHFFFAOYSA-N 1 0 368.466 2.326 20 30 FEEDRO Cc1cc(C)n2c(C[NH2+][C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)cnc2n1 ZINC000192244845 328308606 /nfs/dbraw/zinc/30/86/06/328308606.db2.gz GJKKAYPTSAANDU-IBGZPJMESA-N 1 0 374.448 2.109 20 30 FEEDRO CC(C)Cn1cc(C[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cn1 ZINC000192245128 328308844 /nfs/dbraw/zinc/30/88/44/328308844.db2.gz MLXVJHZMMPNYNE-LJQANCHMSA-N 1 0 351.454 2.301 20 30 FEEDRO CC(C)(C)n1cc(C[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cn1 ZINC000192244562 328308881 /nfs/dbraw/zinc/30/88/81/328308881.db2.gz OXMPUNRCXXPMHG-SFHVURJKSA-N 1 0 351.454 2.400 20 30 FEEDRO COC(=O)[C@H](C)C[N@H+](C1CC1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192565716 328326258 /nfs/dbraw/zinc/32/62/58/328326258.db2.gz UGDHXXAOTAQKMF-RDTXWAMCSA-N 1 0 355.438 2.327 20 30 FEEDRO N#Cc1ccc(N2CCC[C@H]([N@@H+]3CCS[C@H]4COCC[C@@H]43)C2=O)cc1 ZINC000192626152 328329267 /nfs/dbraw/zinc/32/92/67/328329267.db2.gz JUOLYFLFSUAARE-BZSNNMDCSA-N 1 0 357.479 2.260 20 30 FEEDRO C[NH+](C)CCc1ccc(NC(=O)CNC(=O)c2ccc(C#N)cc2)cc1 ZINC000076465313 324945208 /nfs/dbraw/zinc/94/52/08/324945208.db2.gz NXHNUCFACPDEOH-UHFFFAOYSA-N 1 0 350.422 2.031 20 30 FEEDRO N#Cc1ccccc1N1CC[NH+](CCC(=O)Nc2cc(N)ccc2F)CC1 ZINC000083170098 325213933 /nfs/dbraw/zinc/21/39/33/325213933.db2.gz LXWFLXLNOYNGTL-UHFFFAOYSA-N 1 0 367.428 2.430 20 30 FEEDRO C[NH+](C)CCN(Cc1ccco1)S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000088793891 325302799 /nfs/dbraw/zinc/30/27/99/325302799.db2.gz PBPKJECFVQGYFP-UHFFFAOYSA-N 1 0 351.403 2.043 20 30 FEEDRO C[N@H+](CCCc1[nH]nc(N)c1C#N)CCC(=O)Nc1cccc(Cl)c1 ZINC000089943619 325344098 /nfs/dbraw/zinc/34/40/98/325344098.db2.gz PQXGPPGBBNKOLF-UHFFFAOYSA-N 1 0 360.849 2.410 20 30 FEEDRO Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)[N@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000089943754 325344643 /nfs/dbraw/zinc/34/46/43/325344643.db2.gz HYRLHNBHBFHNLP-LSDHHAIUSA-N 1 0 368.485 2.302 20 30 FEEDRO CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1CCCN(c2ncccc2C#N)CC1 ZINC000098027189 325464179 /nfs/dbraw/zinc/46/41/79/325464179.db2.gz NEZHWAOKEKANJD-SFHVURJKSA-N 1 0 372.517 2.151 20 30 FEEDRO CC[NH+](CC)CCN(CCOC)S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000104752086 325545085 /nfs/dbraw/zinc/54/50/85/325545085.db2.gz OQXNIYHIMLXZCD-UHFFFAOYSA-N 1 0 373.906 2.191 20 30 FEEDRO Cc1c(C#N)cccc1NC(=O)C(=O)N[C@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000245687653 328566577 /nfs/dbraw/zinc/56/65/77/328566577.db2.gz NOBDQAGVHCZVDC-RBSFLKMASA-N 1 0 356.470 2.288 20 30 FEEDRO C[C@@H](Oc1cccnc1)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000117758748 326069666 /nfs/dbraw/zinc/06/96/66/326069666.db2.gz VLYDCUINOXGZRS-MRXNPFEDSA-N 1 0 352.438 2.311 20 30 FEEDRO COc1ccc(OC)c(CCC[NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)c1 ZINC000135116070 326636492 /nfs/dbraw/zinc/63/64/92/326636492.db2.gz SCYRQQVBBNEHOW-LJQANCHMSA-N 1 0 353.422 2.324 20 30 FEEDRO CC(C)Oc1ccc(NC(=O)C(=O)N(C)CC2CC[NH+](C)CC2)cc1C#N ZINC000161042756 326986183 /nfs/dbraw/zinc/98/61/83/326986183.db2.gz OEVPYOQPNMGJTP-UHFFFAOYSA-N 1 0 372.469 2.084 20 30 FEEDRO N#Cc1ccc(NC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)cc1Cl ZINC000170684469 327093943 /nfs/dbraw/zinc/09/39/43/327093943.db2.gz ONVMYXPEGLWWMM-OAHLLOKOSA-N 1 0 360.845 2.237 20 30 FEEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cccc(-n2cncn2)c1 ZINC000172206120 327187091 /nfs/dbraw/zinc/18/70/91/327187091.db2.gz HQSHZGQBICJHSE-UHFFFAOYSA-N 1 0 374.448 2.343 20 30 FEEDRO CS(=O)(=O)Cc1cccc(C[NH2+]Cc2cnc3ccc(C#N)cn23)c1 ZINC000172339456 327196631 /nfs/dbraw/zinc/19/66/31/327196631.db2.gz VZPZZXJRHNCYNA-UHFFFAOYSA-N 1 0 354.435 2.040 20 30 FEEDRO CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000174178572 327310989 /nfs/dbraw/zinc/31/09/89/327310989.db2.gz FHMYXBQSBLLGHV-XLIONFOSSA-N 1 0 371.481 2.142 20 30 FEEDRO C[C@H](CCNS(=O)(=O)c1ccc(C#N)nc1)[N@H+](C)Cc1ccccc1 ZINC000175334202 327387659 /nfs/dbraw/zinc/38/76/59/327387659.db2.gz IIHMQSGYIVWWAR-OAHLLOKOSA-N 1 0 358.467 2.142 20 30 FEEDRO N#Cc1cccc(N2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)n1 ZINC000265475945 329131003 /nfs/dbraw/zinc/13/10/03/329131003.db2.gz BBZCJYMKQCFNRQ-SFHVURJKSA-N 1 0 362.481 2.387 20 30 FEEDRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(c2c(C#N)nnc3ccccc32)CC1 ZINC000265846594 329166087 /nfs/dbraw/zinc/16/60/87/329166087.db2.gz PAVRRHBNCYAAQK-CALCHBBNSA-N 1 0 364.497 2.496 20 30 FEEDRO Cc1cccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1C#N ZINC000266549020 329235171 /nfs/dbraw/zinc/23/51/71/329235171.db2.gz KBZUFDMJFYLNIJ-QGZVFWFLSA-N 1 0 362.433 2.196 20 30 FEEDRO CC(C)C[C@@H](CNC(=O)C(=O)Nc1ccc(C#N)cc1Cl)[NH+](C)C ZINC000269098240 329485437 /nfs/dbraw/zinc/48/54/37/329485437.db2.gz MZHASGGLNVQLQL-ZDUSSCGKSA-N 1 0 350.850 2.243 20 30 FEEDRO COc1cc(C[NH2+][C@@H](C)c2ccc(C#N)c(F)c2)ccc1OCC(N)=O ZINC000271947693 329739474 /nfs/dbraw/zinc/73/94/74/329739474.db2.gz NTAFIDMDXFUWIB-LBPRGKRZSA-N 1 0 357.385 2.421 20 30 FEEDRO N#Cc1cccc(C2([NH2+]C[C@@H](O)COc3ccccc3[N+](=O)[O-])CC2)c1 ZINC000273182440 329843657 /nfs/dbraw/zinc/84/36/57/329843657.db2.gz QHUHPGVKWLVVOB-MRXNPFEDSA-N 1 0 353.378 2.485 20 30 FEEDRO N#Cc1ccc([C@H](O)C[NH+]2CCC(c3nnc4n3CCCC4)CC2)cc1 ZINC000275049602 330005449 /nfs/dbraw/zinc/00/54/49/330005449.db2.gz ZZXYHZUTCOQYTO-GOSISDBHSA-N 1 0 351.454 2.399 20 30 FEEDRO CCN(CCC[NH+](CC)CC)C(=O)C(=O)N1CCc2ccc(C#N)cc21 ZINC000276285260 330137149 /nfs/dbraw/zinc/13/71/49/330137149.db2.gz IOAHIAMXGNTPJM-UHFFFAOYSA-N 1 0 356.470 2.028 20 30 FEEDRO CN(C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1)C(=O)NC[C@@]1(C)CCCO1 ZINC000328622549 523041882 /nfs/dbraw/zinc/04/18/82/523041882.db2.gz ILSURVANRLFTKG-KVSKMBFKSA-N 1 0 363.506 2.218 20 30 FEEDRO CN(C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1)C(=O)NCc1cscn1 ZINC000328617197 523042866 /nfs/dbraw/zinc/04/28/66/523042866.db2.gz CLLVFDLTYWWBJM-XJKSGUPXSA-N 1 0 362.503 2.306 20 30 FEEDRO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1CCC(Cn2ccnn2)CC1 ZINC000155635079 545551916 /nfs/dbraw/zinc/55/19/16/545551916.db2.gz UZAVRZIKJOTYIF-GNZRSQJKSA-N 1 0 372.517 2.309 20 30 FEEDRO Cc1occc1C(=O)NC1CC[NH+](C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000156047310 545595290 /nfs/dbraw/zinc/59/52/90/545595290.db2.gz JUXGVUFSMJIYGW-LJQANCHMSA-N 1 0 353.422 2.388 20 30 FEEDRO C[C@H]1C[NH+](CC2CCN(C(=O)CNc3cccc(C#N)c3)CC2)C[C@H](C)O1 ZINC000156704707 545649423 /nfs/dbraw/zinc/64/94/23/545649423.db2.gz OHZLXVHZPQVMKI-IRXDYDNUSA-N 1 0 370.497 2.318 20 30 FEEDRO O=C(NCC[NH2+]Cc1ccc(F)cc1C(F)(F)F)C1N=CC=CC1=O ZINC000156820589 545665851 /nfs/dbraw/zinc/66/58/51/545665851.db2.gz PZRFQNQYLPOCCD-CCEZHUSRSA-N 1 0 357.307 2.461 20 30 FEEDRO C[C@@H](C(=O)Nc1ccccc1C#N)N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000157269176 545721540 /nfs/dbraw/zinc/72/15/40/545721540.db2.gz HURUPXUTJXIERM-DZGCQCFKSA-N 1 0 358.442 2.484 20 30 FEEDRO CCC(C)(C)[NH2+][C@H](C)C(=O)N1C[C@@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000477723711 561152035 /nfs/dbraw/zinc/15/20/35/561152035.db2.gz WUEYYULXTPZWDF-JZKQVHKSSA-N 1 0 354.454 2.025 20 30 FEEDRO CC(C)Oc1ccc(NC(=O)NCCN2CCC([NH+](C)C)CC2)cc1C#N ZINC000157812143 545787880 /nfs/dbraw/zinc/78/78/80/545787880.db2.gz JQIHAKPICZZOCL-UHFFFAOYSA-N 1 0 373.501 2.493 20 30 FEEDRO N#CC1(c2ccccc2)CC([NH2+]CCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000158479004 545864673 /nfs/dbraw/zinc/86/46/73/545864673.db2.gz WXOJTWQWXSVQDR-UHFFFAOYSA-N 1 0 355.463 2.090 20 30 FEEDRO C=CCN1C(=O)c2ccc(C(=O)NC[C@@H](C)[N@@H+]3CCCC[C@@H]3C)cc2C1=O ZINC000478671308 561172384 /nfs/dbraw/zinc/17/23/84/561172384.db2.gz UMFFPFXLHYEHAM-LSDHHAIUSA-N 1 0 369.465 2.461 20 30 FEEDRO COc1ccc(CNC(=[NH2+])NCC[C@H]2c3ccccc3NC2=O)cc1OC ZINC000170907431 546181279 /nfs/dbraw/zinc/18/12/79/546181279.db2.gz KWRZYAMTOYQXEQ-HNNXBMFYSA-N 1 0 368.437 2.234 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H](CN2CCCC2=O)c2ccccc2)CC1 ZINC000171711802 546220110 /nfs/dbraw/zinc/22/01/10/546220110.db2.gz RCFXGIIHLRRJPR-IBGZPJMESA-N 1 0 370.497 2.300 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)CC1 ZINC000171726749 546221467 /nfs/dbraw/zinc/22/14/67/546221467.db2.gz AFAHUWSYXNSSRZ-UHFFFAOYSA-N 1 0 373.472 2.445 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)c2cc(OC)c(OCC)cc2[N+](=O)[O-])CC1 ZINC000171722566 546222062 /nfs/dbraw/zinc/22/20/62/546222062.db2.gz XWUAZALSJMBHEJ-UHFFFAOYSA-N 1 0 363.414 2.382 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C2CCN(C(=O)c3cccs3)CC2)CC1 ZINC000171723926 546222152 /nfs/dbraw/zinc/22/21/52/546222152.db2.gz BVRMTVVOSKZZJN-UHFFFAOYSA-N 1 0 361.511 2.367 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)[C@H]2CC(=O)N(c3cc(C)ccc3OC)C2)CC1 ZINC000171722019 546222210 /nfs/dbraw/zinc/22/22/10/546222210.db2.gz YNJMVEYZVCVUNQ-INIZCTEOSA-N 1 0 371.481 2.123 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000171738017 546223709 /nfs/dbraw/zinc/22/37/09/546223709.db2.gz JSURKLBPGFUUJX-UHFFFAOYSA-N 1 0 373.457 2.077 20 30 FEEDRO N#CCCn1ccc(NC(=O)NCCC[N@@H+]2CCc3ccccc3C2)n1 ZINC000173377650 546280523 /nfs/dbraw/zinc/28/05/23/546280523.db2.gz IZFHIWNGNDHVOA-UHFFFAOYSA-N 1 0 352.442 2.367 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N[C@H](C)c2ccc3c(c2)O[C@H](CC)C(=O)N3)CC1 ZINC000174922576 546305265 /nfs/dbraw/zinc/30/52/65/546305265.db2.gz AQEQWLPMJBZPEH-RDTXWAMCSA-N 1 0 369.465 2.319 20 30 FEEDRO C[C@@H]1CN(Cc2ccccc2CNC(=O)c2cc(C#N)cn2C)C[C@H](C)O1 ZINC000176738617 546481432 /nfs/dbraw/zinc/48/14/32/546481432.db2.gz NZAZYULNCARCJW-IYBDPMFKSA-N 1 0 366.465 2.436 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1C(F)(F)F ZINC000177657550 546661874 /nfs/dbraw/zinc/66/18/74/546661874.db2.gz WMTNFIRGWMNUQZ-GFCCVEGCSA-N 1 0 359.373 2.046 20 30 FEEDRO CN1CC[NH+](CC2CCN(C(=O)Nc3ccc(F)cc3C#N)CC2)CC1 ZINC000177926735 546709219 /nfs/dbraw/zinc/70/92/19/546709219.db2.gz IUQRDNILSDFECR-UHFFFAOYSA-N 1 0 359.449 2.189 20 30 FEEDRO C=CCC[C@@H](O)C[N@@H+](CC)CC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000178026584 546725247 /nfs/dbraw/zinc/72/52/47/546725247.db2.gz IRPOECBYUVRUMP-LJQANCHMSA-N 1 0 361.486 2.111 20 30 FEEDRO CN(Cc1ccco1)C(=O)CO/[NH+]=C/c1ccc(N2CCOCC2)cc1 ZINC000178123644 546742659 /nfs/dbraw/zinc/74/26/59/546742659.db2.gz KGOYQYWUAWDIAE-DEDYPNTBSA-N 1 0 357.410 2.125 20 30 FEEDRO COCCCNC(=O)C1CC[NH+](CCCOc2cccc(C#N)c2)CC1 ZINC000178302666 546771723 /nfs/dbraw/zinc/77/17/23/546771723.db2.gz VPJXVXCYWNVCLQ-UHFFFAOYSA-N 1 0 359.470 2.192 20 30 FEEDRO COc1ccccc1CNC(=[NH2+])NCCc1cccc(C(=O)N(C)C)c1 ZINC000178583964 546815159 /nfs/dbraw/zinc/81/51/59/546815159.db2.gz OAIKQTFCIVVQQG-UHFFFAOYSA-N 1 0 354.454 2.044 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(OC(C)C)c(C#N)c2)CC1 ZINC000179044400 546890773 /nfs/dbraw/zinc/89/07/73/546890773.db2.gz GFOQRRJIQNJPQR-UHFFFAOYSA-N 1 0 370.453 2.051 20 30 FEEDRO C=CCN(CCc1ccccc1)C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000179280685 546925270 /nfs/dbraw/zinc/92/52/70/546925270.db2.gz OMGVJFPANMSHDJ-UHFFFAOYSA-N 1 0 358.530 2.453 20 30 FEEDRO C[C@@](C#N)(NC(=O)C[NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1)C1CC1 ZINC000179744993 547006074 /nfs/dbraw/zinc/00/60/74/547006074.db2.gz ILKVFLDHSWJMRE-UXHICEINSA-N 1 0 355.438 2.307 20 30 FEEDRO CC[C@@H]1Oc2cc([C@@H](C)[NH2+]CC(=O)N[C@@](C)(C#N)C3CC3)ccc2NC1=O ZINC000180006591 547038377 /nfs/dbraw/zinc/03/83/77/547038377.db2.gz POAMTQIIUARFOX-QROBEVECSA-N 1 0 370.453 2.255 20 30 FEEDRO C#CCCCCNC(=O)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000180155626 547059672 /nfs/dbraw/zinc/05/96/72/547059672.db2.gz UNJMWQJTVVJOBP-UHFFFAOYSA-N 1 0 370.497 2.075 20 30 FEEDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2S(=O)(=O)c2ccc(C#N)cc2Cl)C1 ZINC000180174440 547062702 /nfs/dbraw/zinc/06/27/02/547062702.db2.gz IYIBUQSGIWFPQX-UKRRQHHQSA-N 1 0 353.875 2.316 20 30 FEEDRO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)c2ccc(C3(C#N)CC3)cc2)CC1 ZINC000180513196 547121414 /nfs/dbraw/zinc/12/14/14/547121414.db2.gz YZGDEPOICPBIMX-MRXNPFEDSA-N 1 0 355.482 2.407 20 30 FEEDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCNC(=O)C1N=CC=CC1=O ZINC000180867207 547197104 /nfs/dbraw/zinc/19/71/04/547197104.db2.gz KAWPOTYGLOLDPJ-XAGMJWQQSA-N 1 0 358.398 2.032 20 30 FEEDRO CC[N@H+](CCNC(=O)Nc1ccc(S(=O)(=O)[C@H](C)C#N)cc1)C(C)C ZINC000483444218 561277289 /nfs/dbraw/zinc/27/72/89/561277289.db2.gz IXWCQPXBCVSFCQ-CQSZACIVSA-N 1 0 366.487 2.224 20 30 FEEDRO COc1cc(C#N)ccc1OCC[NH2+][C@@H](CS(C)(=O)=O)c1ccccc1 ZINC000181804434 547384108 /nfs/dbraw/zinc/38/41/08/547384108.db2.gz LPHPFARBBKDNKM-KRWDZBQOSA-N 1 0 374.462 2.321 20 30 FEEDRO CCC(CC)[C@@H](CNC(=O)C(=O)Nc1ccccc1O[C@@H](C)C#N)[NH+](C)C ZINC000181822486 547386736 /nfs/dbraw/zinc/38/67/36/547386736.db2.gz CFIDYLHPNSLOJQ-WMLDXEAASA-N 1 0 374.485 2.399 20 30 FEEDRO C=C(C)COc1cc(C[NH2+]C[C@@H]2CC[C@H](C(=O)N(C)C)O2)ccc1OC ZINC000182041185 547427117 /nfs/dbraw/zinc/42/71/17/547427117.db2.gz VKGRVEYKBFLFNH-FUHWJXTLSA-N 1 0 362.470 2.376 20 30 FEEDRO CC(=O)N1CC[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C(C)(C)C1 ZINC000182177476 547448853 /nfs/dbraw/zinc/44/88/53/547448853.db2.gz KFVCAUAYPIXPMO-UHFFFAOYSA-N 1 0 362.861 2.483 20 30 FEEDRO C=C[C@H](C)NC(=O)C(=O)Nc1cc(C)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000483913039 561286642 /nfs/dbraw/zinc/28/66/42/561286642.db2.gz KLDFLQLNRHYWBL-INIZCTEOSA-N 1 0 358.486 2.155 20 30 FEEDRO COc1ccc([C@@H](CCO)[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000182385030 547482865 /nfs/dbraw/zinc/48/28/65/547482865.db2.gz NPEJLEURLQXXOD-LJQANCHMSA-N 1 0 374.462 2.054 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(OCC(F)F)cc2)CC1 ZINC000483956272 561287849 /nfs/dbraw/zinc/28/78/49/561287849.db2.gz LSPGHUQIBQDRGK-UHFFFAOYSA-N 1 0 367.396 2.036 20 30 FEEDRO Cc1cccc(N2CC[NH+](CCCCNC(=O)NC[C@@H](C)C#N)CC2)c1 ZINC000182564030 547514284 /nfs/dbraw/zinc/51/42/84/547514284.db2.gz ALERRLIBQXLQBP-SFHVURJKSA-N 1 0 357.502 2.356 20 30 FEEDRO Cc1cccc(N2CC[NH+](CCCCNC(=O)NC[C@H](C)C#N)CC2)c1 ZINC000182564050 547514582 /nfs/dbraw/zinc/51/45/82/547514582.db2.gz ALERRLIBQXLQBP-GOSISDBHSA-N 1 0 357.502 2.356 20 30 FEEDRO N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)C[NH+]2CCCCCC2)CC1 ZINC000182623984 547523339 /nfs/dbraw/zinc/52/33/39/547523339.db2.gz HQPUUSUDJGPFCB-IBGZPJMESA-N 1 0 358.461 2.411 20 30 FEEDRO C#CCOc1ccc(C(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000183436852 547658748 /nfs/dbraw/zinc/65/87/48/547658748.db2.gz RANWXQMAGHOUGT-HXUWFJFHSA-N 1 0 364.445 2.195 20 30 FEEDRO C#CCOc1ccc(C(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)cc1 ZINC000183436830 547658884 /nfs/dbraw/zinc/65/88/84/547658884.db2.gz RANWXQMAGHOUGT-FQEVSTJZSA-N 1 0 364.445 2.195 20 30 FEEDRO CNC(=O)[C@@H]([NH2+]CC(=O)Nc1ccccc1S[C@H](C)CC#N)C(C)C ZINC000183645407 547694352 /nfs/dbraw/zinc/69/43/52/547694352.db2.gz QPPABTKRKFOPRA-DYVFJYSZSA-N 1 0 362.499 2.380 20 30 FEEDRO CC[N@H+](CCO)CCNC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000184002640 547752104 /nfs/dbraw/zinc/75/21/04/547752104.db2.gz BHJLUTDNNFWLSP-UHFFFAOYSA-N 1 0 353.422 2.395 20 30 FEEDRO COCCOc1ccc(C#N)cc1NC(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000184606561 547853533 /nfs/dbraw/zinc/85/35/33/547853533.db2.gz OJIAMKVAYJKDBQ-INIZCTEOSA-N 1 0 358.442 2.285 20 30 FEEDRO COc1cc(C#N)ccc1S(=O)(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000185610551 548009194 /nfs/dbraw/zinc/00/91/94/548009194.db2.gz UVWKMQVIOIWQGA-INIZCTEOSA-N 1 0 363.483 2.206 20 30 FEEDRO C#CCC(C)(C)C(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000185725167 548025213 /nfs/dbraw/zinc/02/52/13/548025213.db2.gz KXTCJEDSMAEGCR-SFHVURJKSA-N 1 0 355.482 2.050 20 30 FEEDRO CCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@H](C)C[NH+]1CCCCCC1 ZINC000186654876 548167609 /nfs/dbraw/zinc/16/76/09/548167609.db2.gz YXROBFCTHLBYOP-OAHLLOKOSA-N 1 0 372.469 2.276 20 30 FEEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)C[C@H](O)Cc1ccccc1 ZINC000486068513 561337312 /nfs/dbraw/zinc/33/73/12/561337312.db2.gz YINRGJSEGIGFAS-OAQYLSRUSA-N 1 0 365.477 2.442 20 30 FEEDRO N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)C[N@@H+]2CCCC3(CC3)C2)CC1 ZINC000186989391 548235487 /nfs/dbraw/zinc/23/54/87/548235487.db2.gz JJIXRAANBLXJGF-LJQANCHMSA-N 1 0 370.472 2.411 20 30 FEEDRO C=CCCCN(C)C(=O)C(=O)Nc1cccc(N2CC[NH+](CC)CC2)c1 ZINC000187178293 548251880 /nfs/dbraw/zinc/25/18/80/548251880.db2.gz AFHRBSDWDSNZNB-UHFFFAOYSA-N 1 0 358.486 2.192 20 30 FEEDRO CCN(C[C@H](C)C#N)C(=O)C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000189113959 548295511 /nfs/dbraw/zinc/29/55/11/548295511.db2.gz ADPINGSFZHVLTE-OAHLLOKOSA-N 1 0 374.510 2.182 20 30 FEEDRO CCO[C@H]1C[C@@](CO)([NH2+]CC(=O)N(CCC#N)c2ccccc2)C1(C)C ZINC000189994771 548314955 /nfs/dbraw/zinc/31/49/55/548314955.db2.gz VBAQEWOGKASLNA-PXNSSMCTSA-N 1 0 359.470 2.089 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccnn2-c2nc(C)cc(C)n2)CC1 ZINC000190395952 548324013 /nfs/dbraw/zinc/32/40/13/548324013.db2.gz XMIUXFSUZCAVJG-UHFFFAOYSA-N 1 0 369.473 2.441 20 30 FEEDRO C=CCN(CCOC)C(=O)NCc1cccc(CN2CCO[C@H](C)C2)c1 ZINC000191134388 548340774 /nfs/dbraw/zinc/34/07/74/548340774.db2.gz YUVBNMABHNRVCD-QGZVFWFLSA-N 1 0 361.486 2.251 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)Nc1cc(C)cc(C)n1)C(C)C ZINC000192936337 548377089 /nfs/dbraw/zinc/37/70/89/548377089.db2.gz RJCCNZGYUROROT-KRWDZBQOSA-N 1 0 358.486 2.452 20 30 FEEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)CN1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000193607469 548391681 /nfs/dbraw/zinc/39/16/81/548391681.db2.gz ZHWNDXBKTBOCRJ-HRCADAONSA-N 1 0 358.511 2.370 20 30 FEEDRO N#Cc1ccc(CC(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000194714751 548519503 /nfs/dbraw/zinc/51/95/03/548519503.db2.gz AATUOJIXRUIKTE-UHFFFAOYSA-N 1 0 362.477 2.035 20 30 FEEDRO COc1cc(C[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)ccc1O ZINC000195003571 548563069 /nfs/dbraw/zinc/56/30/69/548563069.db2.gz YWBJEYXIAIINDZ-QGZVFWFLSA-N 1 0 351.406 2.163 20 30 FEEDRO CN1CC[N@H+](CCCNC(=O)N2CCC(C#N)CC2)[C@H](c2ccccc2)C1 ZINC000195327188 548624437 /nfs/dbraw/zinc/62/44/37/548624437.db2.gz DOMALSJYAYXFFN-FQEVSTJZSA-N 1 0 369.513 2.310 20 30 FEEDRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N ZINC000487429322 561369658 /nfs/dbraw/zinc/36/96/58/561369658.db2.gz JCOHAPDXMAOJCB-RHSMWYFYSA-N 1 0 354.454 2.406 20 30 FEEDRO COCC[N@H+](C)CCCNC(=O)Nc1ccc(C#N)c(Br)c1 ZINC000487964129 561380107 /nfs/dbraw/zinc/38/01/07/561380107.db2.gz AISWHHSAVWETHK-UHFFFAOYSA-N 1 0 369.263 2.411 20 30 FEEDRO COCCN(CCS(=O)(=O)c1ccc(C#N)cc1)[C@H]1CCC[C@@H]1C ZINC000487978306 561380441 /nfs/dbraw/zinc/38/04/41/561380441.db2.gz XNTHMPLDDOTTNX-YJBOKZPZSA-N 1 0 350.484 2.469 20 30 FEEDRO COC(=O)[C@@H]1C[C@@H](c2ccccc2)C[N@H+](CCC(=O)N(C)CCC#N)C1 ZINC000245547182 548944240 /nfs/dbraw/zinc/94/42/40/548944240.db2.gz XEQFJFQUKWDRAM-QZTJIDSGSA-N 1 0 357.454 2.027 20 30 FEEDRO N#Cc1cccc(S(=O)(=O)CCN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000245782129 548993463 /nfs/dbraw/zinc/99/34/63/548993463.db2.gz HSCWXMLREMIGKS-PXNSSMCTSA-N 1 0 373.522 2.281 20 30 FEEDRO COC(=O)[C@H](c1cccc(C#N)c1)N1CC[C@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000245778933 548993526 /nfs/dbraw/zinc/99/35/26/548993526.db2.gz LXXGMNDSGURKJB-KPFFTGBYSA-N 1 0 367.449 2.248 20 30 FEEDRO C=CCn1cccc1C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000488485363 561390549 /nfs/dbraw/zinc/39/05/49/561390549.db2.gz MEQCDUOJESNQAQ-UHFFFAOYSA-N 1 0 352.482 2.222 20 30 FEEDRO CC(C)[C@H]1CN(C(=O)C(=O)Nc2ccccc2SCCC#N)CCN1C ZINC000488593642 561392532 /nfs/dbraw/zinc/39/25/32/561392532.db2.gz GNJRMYLOJLDMLK-MRXNPFEDSA-N 1 0 374.510 2.429 20 30 FEEDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2S(=O)(=O)c2ccc(Cl)cc2C#N)C1 ZINC000246484074 549142631 /nfs/dbraw/zinc/14/26/31/549142631.db2.gz BANWSNUAZPTAGN-SWLSCSKDSA-N 1 0 353.875 2.316 20 30 FEEDRO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000246509463 549150327 /nfs/dbraw/zinc/15/03/27/549150327.db2.gz ICQJBCNRXOTPSD-IAOVAPTHSA-N 1 0 363.433 2.114 20 30 FEEDRO N#Cc1cccc(NC(=O)CC[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1 ZINC000488717448 561395235 /nfs/dbraw/zinc/39/52/35/561395235.db2.gz SNLWORLLFUPFTB-UHFFFAOYSA-N 1 0 368.397 2.329 20 30 FEEDRO C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc(F)c(C#N)c1)Cc1ccccc1 ZINC000488965731 561400543 /nfs/dbraw/zinc/40/05/43/561400543.db2.gz AEPGGTJWYWKVFO-MRXNPFEDSA-N 1 0 361.442 2.149 20 30 FEEDRO C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc(C#N)c(F)c1)Cc1ccccc1 ZINC000489014490 561401586 /nfs/dbraw/zinc/40/15/86/561401586.db2.gz ALXAPEXLFQOUOL-MRXNPFEDSA-N 1 0 361.442 2.149 20 30 FEEDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000247127442 549288047 /nfs/dbraw/zinc/28/80/47/549288047.db2.gz NIMKMTKNHZVBIO-BBRMVZONSA-N 1 0 360.845 2.093 20 30 FEEDRO Cc1cccc(NC(=O)C(=O)N[C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)c1C#N ZINC000247697900 549373153 /nfs/dbraw/zinc/37/31/53/549373153.db2.gz XBMMVZVTFVNCRE-IIAWOOMASA-N 1 0 356.470 2.288 20 30 FEEDRO Cc1cc(C(=O)N2CC[N@H+](C)[C@@H](C(C)C)C2)nn1-c1cccc(C#N)c1 ZINC000489332816 561408322 /nfs/dbraw/zinc/40/83/22/561408322.db2.gz RNHSCMWAGJZPDY-LJQANCHMSA-N 1 0 351.454 2.465 20 30 FEEDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2S(=O)(=O)c2ccc(C#N)cc2Cl)C1 ZINC000248544744 549454976 /nfs/dbraw/zinc/45/49/76/549454976.db2.gz IYIBUQSGIWFPQX-DZGCQCFKSA-N 1 0 353.875 2.316 20 30 FEEDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)Nc1ccn(CCC#N)n1 ZINC000248796533 549503738 /nfs/dbraw/zinc/50/37/38/549503738.db2.gz JFRITXXWOXUQRN-DOTOQJQBSA-N 1 0 352.442 2.439 20 30 FEEDRO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CC[C@@]3(C2)OCc2ccccc23)cc1 ZINC000248797142 549503768 /nfs/dbraw/zinc/50/37/68/549503768.db2.gz YWVGKTLLRLKWAG-NQIIRXRSSA-N 1 0 350.418 2.429 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)cc1F ZINC000489551525 561414031 /nfs/dbraw/zinc/41/40/31/561414031.db2.gz PFSUGEIELBFILF-OAHLLOKOSA-N 1 0 351.447 2.240 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNS(=O)(=O)c1cnc(C)c(C#N)c1)C(C)C ZINC000489629884 561415919 /nfs/dbraw/zinc/41/59/19/561415919.db2.gz YNPMQYZQTKONSB-GOSISDBHSA-N 1 0 362.499 2.239 20 30 FEEDRO COC[C@@H](Cc1ccccc1)[N@H+](C)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000249148439 549560298 /nfs/dbraw/zinc/56/02/98/549560298.db2.gz XFSKWVRVFJUTDK-WOJBJXKFSA-N 1 0 354.450 2.487 20 30 FEEDRO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000249708467 549617255 /nfs/dbraw/zinc/61/72/55/549617255.db2.gz CCARABVSCGMMRN-IAGOWNOFSA-N 1 0 356.470 2.345 20 30 FEEDRO C[N@@H+]1CCN(C[C@@H](O)COc2ccc(C#N)cc2)[C@@H](c2ccccc2)C1 ZINC000249813926 549630560 /nfs/dbraw/zinc/63/05/60/549630560.db2.gz JQCOBZZZVHTLHV-TZIWHRDSSA-N 1 0 351.450 2.287 20 30 FEEDRO CC(=O)NC[C@@H]1CCC[N@@H+]([C@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000255632068 549707223 /nfs/dbraw/zinc/70/72/23/549707223.db2.gz UHUATPQTAPPJRW-AEFFLSMTSA-N 1 0 356.470 2.170 20 30 FEEDRO CC[NH+]=C(NC[C@@H](C)c1c(C)noc1C)N1CCO[C@H](c2cnn(C)c2)C1 ZINC000261705448 549745144 /nfs/dbraw/zinc/74/51/44/549745144.db2.gz GRWDWNZQEORNER-DYVFJYSZSA-N 1 0 374.489 2.167 20 30 FEEDRO C[NH+]=C(NCc1cc(N(C)C)nc2ccccc12)N(C)Cc1ccon1 ZINC000261744532 549750640 /nfs/dbraw/zinc/75/06/40/549750640.db2.gz LBYKAMUHJWRWJC-UHFFFAOYSA-N 1 0 352.442 2.496 20 30 FEEDRO C[NH+]=C(NCc1nccn1C(F)F)N1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000262007071 549779884 /nfs/dbraw/zinc/77/98/84/549779884.db2.gz VWAKUAHVORHJET-QWHCGFSZSA-N 1 0 351.405 2.133 20 30 FEEDRO C[NH+]=C(NCc1cn2ccccc2n1)N1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000262026504 549781222 /nfs/dbraw/zinc/78/12/22/549781222.db2.gz ZUNYXVCSLMMNFR-WBVHZDCISA-N 1 0 351.458 2.189 20 30 FEEDRO N#Cc1cc(S(=O)(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)ccc1C(F)(F)F ZINC000262094498 549788046 /nfs/dbraw/zinc/78/80/46/549788046.db2.gz SCCQOBWTDNWDFM-XEGUGMAKSA-N 1 0 373.400 2.325 20 30 FEEDRO C[C@H](NC(NCC(=O)N(C)C)=[NH+][C@@H]1[C@H]2CCO[C@@H]2C1(C)C)c1ccccc1 ZINC000262348673 549813052 /nfs/dbraw/zinc/81/30/52/549813052.db2.gz YLDBRMGVZOOCAD-WLWJZTKJSA-N 1 0 372.513 2.185 20 30 FEEDRO CC(C)c1cccc(NC(=[NH2+])NC[C@@H]2CCC[C@@H]2NS(C)(=O)=O)c1 ZINC000262349867 549813070 /nfs/dbraw/zinc/81/30/70/549813070.db2.gz DZQASTBMITWLGX-HOCLYGCPSA-N 1 0 352.504 2.255 20 30 FEEDRO [NH2+]=C(NCc1cccc(N2C(=O)NC3(CCCC3)C2=O)c1)NC1CCCC1 ZINC000262375263 549815489 /nfs/dbraw/zinc/81/54/89/549815489.db2.gz MVZJYBJODXRRCT-UHFFFAOYSA-N 1 0 369.469 2.403 20 30 FEEDRO CC[NH+]=C(NC[C@](C)(O)c1ccsc1)N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000262465639 549822403 /nfs/dbraw/zinc/82/24/03/549822403.db2.gz YDWOJIQITWDKRH-BORJPKMPSA-N 1 0 351.516 2.324 20 30 FEEDRO C[NH+]=C(NCc1nc(-c2ccccc2)c[nH]1)N1CCC(C(=O)OC)CC1 ZINC000262531082 549826371 /nfs/dbraw/zinc/82/63/71/549826371.db2.gz IHWJMUBARSKWAU-UHFFFAOYSA-N 1 0 355.442 2.037 20 30 FEEDRO C[NH+]=C(NCc1csc(Br)c1)N1CCC(C(=O)OC)CC1 ZINC000262578097 549829580 /nfs/dbraw/zinc/82/95/80/549829580.db2.gz PIABIWJYKYMLKS-UHFFFAOYSA-N 1 0 374.304 2.471 20 30 FEEDRO C=CCc1ccc(OC[C@H](O)C[N@@H+](CC)Cc2cnn(C)c2)c(OC)c1 ZINC000263692950 549921071 /nfs/dbraw/zinc/92/10/71/549921071.db2.gz LQTYDGFNEYZUSR-GOSISDBHSA-N 1 0 359.470 2.419 20 30 FEEDRO CN(C)C(=O)[C@@H]1CCCN1CCC[NH2+]Cc1ccc(N(C)CCC#N)cc1 ZINC000263722375 549925703 /nfs/dbraw/zinc/92/57/03/549925703.db2.gz WLVOAKHWUCGDDE-FQEVSTJZSA-N 1 0 371.529 2.069 20 30 FEEDRO COc1ccc(NC(=[NH2+])NC[C@H](CO)Cc2ccc(F)cc2)cc1OC ZINC000264077167 549976220 /nfs/dbraw/zinc/97/62/20/549976220.db2.gz GCRRWLPPQOZLCZ-CQSZACIVSA-N 1 0 361.417 2.421 20 30 FEEDRO COc1ccc(CCNC(=[NH2+])NC[C@@H](O)c2ccccc2F)cc1OC ZINC000264081591 549976808 /nfs/dbraw/zinc/97/68/08/549976808.db2.gz HQLDELIEMGCCOL-MRXNPFEDSA-N 1 0 361.417 2.023 20 30 FEEDRO COc1ccc(CCNC(=[NH2+])NCCNC(=O)c2ccccc2Cl)cc1 ZINC000264083299 549977272 /nfs/dbraw/zinc/97/72/72/549977272.db2.gz JBKQGAUYSBLGEF-UHFFFAOYSA-N 1 0 374.872 2.225 20 30 FEEDRO COc1ccc(CCNC(=[NH2+])NC[C@@H](c2ccco2)N(C)C)cc1OC ZINC000264090300 549977838 /nfs/dbraw/zinc/97/78/38/549977838.db2.gz KVHPRXRPQWDXTJ-HNNXBMFYSA-N 1 0 360.458 2.047 20 30 FEEDRO CCCNC(=[NH2+])NCc1ccnc(N2CCN(c3ccc(F)cc3)CC2)c1 ZINC000264090823 549977941 /nfs/dbraw/zinc/97/79/41/549977941.db2.gz KZEUCLYZRSUSOR-UHFFFAOYSA-N 1 0 370.476 2.362 20 30 FEEDRO CCNC(=O)c1ccc(CNC(=[NH2+])NCCc2ccc(OC)cc2)cc1 ZINC000264133096 549983362 /nfs/dbraw/zinc/98/33/62/549983362.db2.gz UNPKDSNQUNTLNV-UHFFFAOYSA-N 1 0 354.454 2.092 20 30 FEEDRO CC(=O)N1CCN(c2ccccc2CNC(=[NH2+])Nc2ccccc2)CC1 ZINC000264259084 549993314 /nfs/dbraw/zinc/99/33/14/549993314.db2.gz IXFLQEJKGOFIQI-UHFFFAOYSA-N 1 0 351.454 2.282 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)NCc2ccc(OC)c(OC)c2OC)CC1 ZINC000264364873 549994477 /nfs/dbraw/zinc/99/44/77/549994477.db2.gz FNSXLZDPWXHPLP-UHFFFAOYSA-N 1 0 363.458 2.162 20 30 FEEDRO C=CCc1ccc(OC[C@@H](O)CN2CC[NH+](C3CCC3)CC2)c(OC)c1 ZINC000264947918 550004280 /nfs/dbraw/zinc/00/42/80/550004280.db2.gz AKAIHNDPJNEASQ-IBGZPJMESA-N 1 0 360.498 2.334 20 30 FEEDRO CCCCC(N)=[NH+]OCCCS(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000265122880 550006433 /nfs/dbraw/zinc/00/64/33/550006433.db2.gz KLNBDBUMUKPHIG-UHFFFAOYSA-N 1 0 355.460 2.288 20 30 FEEDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)NCC#Cc2ccccc2)[C@@H](C)C1 ZINC000265156397 550006492 /nfs/dbraw/zinc/00/64/92/550006492.db2.gz CZJSOGKYCFOBJE-AZUAARDMSA-N 1 0 357.498 2.474 20 30 FEEDRO CCN(CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1)C[C@H]1CCCO1 ZINC000265137674 550006809 /nfs/dbraw/zinc/00/68/09/550006809.db2.gz PBSRJZQTGGZFAF-UKRRQHHQSA-N 1 0 354.410 2.013 20 30 FEEDRO C[C@@H]1[C@H](C)SCCN1CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000265534061 550011376 /nfs/dbraw/zinc/01/13/76/550011376.db2.gz QCNUYYNWKFWHJJ-DYEKYZERSA-N 1 0 356.451 2.337 20 30 FEEDRO C=C(Cl)CNC(=O)N1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000265799531 550014140 /nfs/dbraw/zinc/01/41/40/550014140.db2.gz NBSXAZYOIXRIBS-UHFFFAOYSA-N 1 0 366.893 2.211 20 30 FEEDRO N#CCOc1cccc(NC(=O)C(=O)N2CCC[N@@H+](C3CCCC3)CC2)c1 ZINC000265870076 550014795 /nfs/dbraw/zinc/01/47/95/550014795.db2.gz YOVPFZRUPAJVLK-UHFFFAOYSA-N 1 0 370.453 2.004 20 30 FEEDRO CC[NH+]1CCC(N[C@H](C)C(=O)N(CCC#N)c2ccccc2OC)CC1 ZINC000266133345 550017924 /nfs/dbraw/zinc/01/79/24/550017924.db2.gz RRQPQTIRPTYOND-MRXNPFEDSA-N 1 0 358.486 2.404 20 30 FEEDRO C#CCOc1ccc(C(=O)N2CCC(OCC[NH+]3CCCC3)CC2)cc1 ZINC000266661506 550022608 /nfs/dbraw/zinc/02/26/08/550022608.db2.gz RCXHMNQMXPXFFX-UHFFFAOYSA-N 1 0 356.466 2.416 20 30 FEEDRO CC(C)CCN(CCC#N)CC(=O)NCc1cccc(C(=O)NC2CC2)c1 ZINC000266771324 550023927 /nfs/dbraw/zinc/02/39/27/550023927.db2.gz WVILCSXFTNYQOW-UHFFFAOYSA-N 1 0 370.497 2.457 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)CCSc1n[nH]c(C)n1)C(C)C ZINC000266820316 550024610 /nfs/dbraw/zinc/02/46/10/550024610.db2.gz ICFAZEDRJUZZHJ-OAHLLOKOSA-N 1 0 351.520 2.410 20 30 FEEDRO COc1ccc(CCNC(=[NH2+])NCCCCn2ccnc2C)cc1OC ZINC000267466872 550032317 /nfs/dbraw/zinc/03/23/17/550032317.db2.gz WREIAANMLVNSSO-UHFFFAOYSA-N 1 0 359.474 2.136 20 30 FEEDRO COc1ccc(C(=O)CCC(=O)N(CCC#N)CCC[NH+](C)C)cc1F ZINC000267624815 550033379 /nfs/dbraw/zinc/03/33/79/550033379.db2.gz VFLXEODXRVYQLF-UHFFFAOYSA-N 1 0 363.433 2.491 20 30 FEEDRO N#CCSCC(=O)NC1CC[NH+](CCOc2ccc(F)cc2)CC1 ZINC000267851328 550035198 /nfs/dbraw/zinc/03/51/98/550035198.db2.gz BXGRMLCYYITOSS-UHFFFAOYSA-N 1 0 351.447 2.042 20 30 FEEDRO COC[C@](C)(CCO)[NH2+]CC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000267950956 550036048 /nfs/dbraw/zinc/03/60/48/550036048.db2.gz QEMJIEBZMUUULY-KSSFIOAISA-N 1 0 365.499 2.396 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1nnc(CC(F)(F)F)s1 ZINC000268950043 550135814 /nfs/dbraw/zinc/13/58/14/550135814.db2.gz RXBNSPKNJIBQPV-UHFFFAOYSA-N 1 0 364.397 2.342 20 30 FEEDRO CC(C)(C#N)c1ccccc1C[NH+]1CCN(c2ccc(C(N)=O)cn2)CC1 ZINC000268968335 550138575 /nfs/dbraw/zinc/13/85/75/550138575.db2.gz KUSPUWFCCZWKJO-UHFFFAOYSA-N 1 0 363.465 2.304 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(C#N)cc2Cl)CC1 ZINC000269130733 550158741 /nfs/dbraw/zinc/15/87/41/550158741.db2.gz VHMBNTDUKORLEE-UHFFFAOYSA-N 1 0 360.845 2.307 20 30 FEEDRO CN(Cc1ccc(C#N)cc1)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000269326817 550181418 /nfs/dbraw/zinc/18/14/18/550181418.db2.gz NDCZVGAVEYAOHG-RTBURBONSA-N 1 0 356.470 2.077 20 30 FEEDRO CN1CCN(C(=O)c2ccc(C[NH2+]Cc3ccc(C#N)cc3F)cc2)CC1 ZINC000269424329 550193800 /nfs/dbraw/zinc/19/38/00/550193800.db2.gz MVSIMUZHABEQCL-UHFFFAOYSA-N 1 0 366.440 2.375 20 30 FEEDRO C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000270001822 550242373 /nfs/dbraw/zinc/24/23/73/550242373.db2.gz YHQWQCIOFIONKF-JJMVLAAESA-N 1 0 353.825 2.031 20 30 FEEDRO N#Cc1csc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)c1 ZINC000270584432 550286345 /nfs/dbraw/zinc/28/63/45/550286345.db2.gz DFJXEJGOYLMXBI-SJORKVTESA-N 1 0 355.463 2.233 20 30 FEEDRO COCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2ccc(N(C)CCC#N)cc2)C1 ZINC000271131131 550343356 /nfs/dbraw/zinc/34/33/56/550343356.db2.gz KDZGEXJTMGODKO-MJGOQNOKSA-N 1 0 372.513 2.400 20 30 FEEDRO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)CCc1cnccn1 ZINC000271343140 550366834 /nfs/dbraw/zinc/36/68/34/550366834.db2.gz NOKKXOCDVCWYKH-UHFFFAOYSA-N 1 0 355.467 2.402 20 30 FEEDRO CC[C@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1ccc(OC)c(OC)c1 ZINC000271479722 550378331 /nfs/dbraw/zinc/37/83/31/550378331.db2.gz NFMFDXBJHDNEER-JGWKNBOWSA-N 1 0 359.426 2.271 20 30 FEEDRO COc1ccccc1[C@H](C)[NH2+]CC(=O)N1CCN([C@H](C#N)C(C)C)CC1 ZINC000271622870 550390822 /nfs/dbraw/zinc/39/08/22/550390822.db2.gz FLGIXLOBWLIPII-FUHWJXTLSA-N 1 0 358.486 2.038 20 30 FEEDRO C=C(C)CN(CC)C(=O)C[NH2+][C@@H]1CC(=O)N(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000494245362 561465654 /nfs/dbraw/zinc/46/56/54/561465654.db2.gz QKPDRBCLUJVGGX-VQIMIIECSA-N 1 0 365.424 2.251 20 30 FEEDRO CC[NH+]1CCN([C@@H](C)CNC(=O)[C@H](Oc2ccccc2C#N)C(C)C)CC1 ZINC000494328751 561467393 /nfs/dbraw/zinc/46/73/93/561467393.db2.gz VYFFDCVTNVXDTM-FXAWDEMLSA-N 1 0 372.513 2.104 20 30 FEEDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000272173399 550426875 /nfs/dbraw/zinc/42/68/75/550426875.db2.gz JZYXPWWVNCGKFO-GFCCVEGCSA-N 1 0 362.861 2.339 20 30 FEEDRO COc1cc(/C=C/C(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)ccc1OCC#N ZINC000272578290 550459009 /nfs/dbraw/zinc/45/90/09/550459009.db2.gz WAHMMYQRICCEHN-TZNLOLHFSA-N 1 0 355.438 2.163 20 30 FEEDRO C[C@@H](NC(=O)N1CCN(c2cccc(F)c2C#N)CC1)C1=CC[N@H+](C)CC1 ZINC000272850724 550473610 /nfs/dbraw/zinc/47/36/10/550473610.db2.gz HHXLKNBLZQCDSE-OAHLLOKOSA-N 1 0 371.460 2.179 20 30 FEEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH2+][C@@H]1CCO[C@@H]1C1CC1 ZINC000494487313 561470623 /nfs/dbraw/zinc/47/06/23/561470623.db2.gz QLAUWXMQQDDHBS-IEBWSBKVSA-N 1 0 374.485 2.109 20 30 FEEDRO C[C@H](CNC1=[NH+]C[C@@H]2CN(C(=O)OC(C)(C)C)CCN12)c1nccs1 ZINC000273498735 550500576 /nfs/dbraw/zinc/50/05/76/550500576.db2.gz OXRWFONPGWNPKO-CHWSQXEVSA-N 1 0 365.503 2.127 20 30 FEEDRO C[C@H](NC1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1nnc2n1CCC2 ZINC000273738071 550509882 /nfs/dbraw/zinc/50/98/82/550509882.db2.gz LKLXJDXDVVFAFX-HNNXBMFYSA-N 1 0 350.470 2.411 20 30 FEEDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCC(=O)N(CCC#N)CCC#N ZINC000274856973 550559903 /nfs/dbraw/zinc/55/99/03/550559903.db2.gz SNZBKDXBQBEGQK-AZUAARDMSA-N 1 0 367.497 2.143 20 30 FEEDRO CC(C)(C#N)c1ccccc1C[NH+]1CCN(c2cncc3ncnn32)CC1 ZINC000276630243 550579434 /nfs/dbraw/zinc/57/94/34/550579434.db2.gz XCTUTGZZHLUJSF-UHFFFAOYSA-N 1 0 361.453 2.248 20 30 FEEDRO N#Cc1ncccc1S(=O)(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000277013332 550621833 /nfs/dbraw/zinc/62/18/33/550621833.db2.gz LXUWOHBMTIPVBS-UHFFFAOYSA-N 1 0 370.478 2.144 20 30 FEEDRO CCNC(=O)C1(C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CCC1 ZINC000277068787 550628367 /nfs/dbraw/zinc/62/83/67/550628367.db2.gz DSHPDUGSQAACQS-UHFFFAOYSA-N 1 0 354.498 2.419 20 30 FEEDRO CCOC(=O)c1n[nH]c(C2CC[NH+](Cc3ccc(F)c(C#N)c3)CC2)n1 ZINC000277733163 550707574 /nfs/dbraw/zinc/70/75/74/550707574.db2.gz KECLPUZRYIMIDI-UHFFFAOYSA-N 1 0 357.389 2.372 20 30 FEEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000277967955 550733939 /nfs/dbraw/zinc/73/39/39/550733939.db2.gz PXKAVIFLRXCAOS-INIZCTEOSA-N 1 0 356.470 2.341 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000278120076 550751585 /nfs/dbraw/zinc/75/15/85/550751585.db2.gz LMCBJDZGBPNIJF-UHFFFAOYSA-N 1 0 372.429 2.311 20 30 FEEDRO C#CC[NH+]1CCC(c2nc(-c3ccc(C(=O)NC4CC4)cc3)no2)CC1 ZINC000278196402 550759727 /nfs/dbraw/zinc/75/97/27/550759727.db2.gz VGMZONGKUQJHOH-UHFFFAOYSA-N 1 0 350.422 2.441 20 30 FEEDRO CC[C@H]([NH2+]CCS(=O)(=O)NC[C@H]1CCCCO1)c1ccc(C#N)cc1 ZINC000278395796 550780705 /nfs/dbraw/zinc/78/07/05/550780705.db2.gz FDAQXAXCXYJCLT-MSOLQXFVSA-N 1 0 365.499 2.087 20 30 FEEDRO CCC[C@@H]1CN(C(=O)c2cc(C#N)cc(N(C)C)c2)CC[N@@H+]1CCOC ZINC000495131561 561482769 /nfs/dbraw/zinc/48/27/69/561482769.db2.gz ONIRFKJESDSXRF-GOSISDBHSA-N 1 0 358.486 2.197 20 30 FEEDRO CC(C)Oc1ccc(NC(=O)N2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)cc1C#N ZINC000278562771 550799306 /nfs/dbraw/zinc/79/93/06/550799306.db2.gz MRWFDTYFQXWKIF-GJZGRUSLSA-N 1 0 360.458 2.264 20 30 FEEDRO COC[C@H]([NH2+][C@H](C)C(=O)N(CCC#N)c1ccc(C)cc1)[C@H]1CCCO1 ZINC000279021444 550847617 /nfs/dbraw/zinc/84/76/17/550847617.db2.gz GUOIEAXDSNEFQD-NZSAHSFTSA-N 1 0 359.470 2.414 20 30 FEEDRO COC[C@@H]([NH2+]CC(=O)N(CCC#N)c1cc(C)cc(C)c1)[C@@H]1CCCO1 ZINC000279108158 550855010 /nfs/dbraw/zinc/85/50/10/550855010.db2.gz RZEPUJFFPLMEOY-MOPGFXCFSA-N 1 0 359.470 2.334 20 30 FEEDRO COCCC[NH+]1CCC(NC(=O)c2cc(-c3cccc(C#N)c3)no2)CC1 ZINC000279173757 550861832 /nfs/dbraw/zinc/86/18/32/550861832.db2.gz HENXLPMBKAJYQX-UHFFFAOYSA-N 1 0 368.437 2.444 20 30 FEEDRO N#CCCn1cc(CN2CC(=O)N[C@H]3CCCC[C@@H]32)c(-c2ccncc2)n1 ZINC000279402152 550885905 /nfs/dbraw/zinc/88/59/05/550885905.db2.gz MOHYAFWOUPQTNT-ROUUACIJSA-N 1 0 364.453 2.102 20 30 FEEDRO CC(C)[NH+]1CCC(O)(CNC(=O)c2cc(-c3cccc(C#N)c3)no2)CC1 ZINC000279450572 550891598 /nfs/dbraw/zinc/89/15/98/550891598.db2.gz MDVXSYNYUBHQRJ-UHFFFAOYSA-N 1 0 368.437 2.178 20 30 FEEDRO C=C(C)CS(=O)(=O)NCc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000280599809 551012098 /nfs/dbraw/zinc/01/20/98/551012098.db2.gz PETSOPKTZNGNNI-HOTGVXAUSA-N 1 0 352.500 2.291 20 30 FEEDRO C[C@H]([NH2+]CCCCC#N)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000280727007 551025843 /nfs/dbraw/zinc/02/58/43/551025843.db2.gz NRZSTJIHBHIJHU-JTQLQIEISA-N 1 0 360.277 2.441 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)Nc1ccn(C(C)C)n1)C(C)C ZINC000280738413 551026891 /nfs/dbraw/zinc/02/68/91/551026891.db2.gz MADISKQFFHXJCR-INIZCTEOSA-N 1 0 361.490 2.217 20 30 FEEDRO CNC(=O)[C@]1(C)CC[N@H+](CC(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000281180312 551071153 /nfs/dbraw/zinc/07/11/53/551071153.db2.gz QSXDIGPJBMXIKV-HXUWFJFHSA-N 1 0 356.470 2.008 20 30 FEEDRO CNC(=O)[C@@]1(C)CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)C1 ZINC000281248667 551077973 /nfs/dbraw/zinc/07/79/73/551077973.db2.gz UXFOZFHAAYUCFT-IBGZPJMESA-N 1 0 374.510 2.285 20 30 FEEDRO C#CC[C@H]([NH2+]Cc1c(C)nn(CCS(C)(=O)=O)c1C)c1ccccc1 ZINC000281376585 551089757 /nfs/dbraw/zinc/08/97/57/551089757.db2.gz UGGDAQAUGGSLHB-IBGZPJMESA-N 1 0 359.495 2.399 20 30 FEEDRO C=CCN1CC[C@H]([N@H+](C)C[C@@H](O)COc2cccc(C(F)(F)F)c2)C1=O ZINC000281500489 551105446 /nfs/dbraw/zinc/10/54/46/551105446.db2.gz XZLFUFIJULRGQC-ZBFHGGJFSA-N 1 0 372.387 2.164 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N(CCc2ccccn2)Cc2ccncc2)CC1 ZINC000281879921 551152334 /nfs/dbraw/zinc/15/23/34/551152334.db2.gz VLPCZLFUJMGWRT-UHFFFAOYSA-N 1 0 362.477 2.393 20 30 FEEDRO C[C@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)CCCC1(C#N)CCOCC1 ZINC000282075250 551177097 /nfs/dbraw/zinc/17/70/97/551177097.db2.gz TYXGORMYXHLAIU-OAHLLOKOSA-N 1 0 365.499 2.427 20 30 FEEDRO COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@H](C)[N@@H+]2CCC(=O)Nc2ccc(C#N)cc2)O1 ZINC000282365745 551217980 /nfs/dbraw/zinc/21/79/80/551217980.db2.gz DOKSQKNTHITYQR-LIRZEXBASA-N 1 0 371.437 2.070 20 30 FEEDRO COc1ccc(C#N)cc1NC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000282432738 551227997 /nfs/dbraw/zinc/22/79/97/551227997.db2.gz HTSSGABKYVANPV-MRXNPFEDSA-N 1 0 358.442 2.143 20 30 FEEDRO C[C@@H](CC#N)N(C)S(=O)(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000282551239 551245360 /nfs/dbraw/zinc/24/53/60/551245360.db2.gz CNMVKNNESJSMKN-SWLSCSKDSA-N 1 0 358.895 2.011 20 30 FEEDRO C[C@@H](CC#N)N(C)S(=O)(=O)NCc1ccnc(N2CCCCCC2)c1 ZINC000282893241 551282525 /nfs/dbraw/zinc/28/25/25/551282525.db2.gz DVQBIAQQNRXXPQ-HNNXBMFYSA-N 1 0 365.503 2.030 20 30 FEEDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2ccn(-c3cccc(C#N)c3)n2)C1 ZINC000282926655 551286076 /nfs/dbraw/zinc/28/60/76/551286076.db2.gz YFFJIDGMDUAXTR-QGZVFWFLSA-N 1 0 351.454 2.452 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)c2cc3ccccc3o2)CC1 ZINC000283448155 551367686 /nfs/dbraw/zinc/36/76/86/551367686.db2.gz KGBNQRRKNHRLIG-AWEZNQCLSA-N 1 0 355.438 2.377 20 30 FEEDRO CN(C1CC[NH+](C)CC1)S(=O)(=O)c1cccc(Br)c1C#N ZINC000283605329 551395457 /nfs/dbraw/zinc/39/54/57/551395457.db2.gz UJRABBHBHKXIEZ-UHFFFAOYSA-N 1 0 372.288 2.035 20 30 FEEDRO CC1CC[NH+](CCCCNC(=O)C(=O)N(C)Cc2cccc(C#N)c2)CC1 ZINC000283896863 551445940 /nfs/dbraw/zinc/44/59/40/551445940.db2.gz CYZLZWCNYDSPKH-UHFFFAOYSA-N 1 0 370.497 2.145 20 30 FEEDRO CN1CCO[C@@H]2CCN(Cc3cn(CCC#N)nc3-c3ccccc3)C[C@@H]21 ZINC000284233162 551506695 /nfs/dbraw/zinc/50/66/95/551506695.db2.gz DPKYMUQDNHAIDR-VQTJNVASSA-N 1 0 365.481 2.369 20 30 FEEDRO C[N@@H+]1CC[C@@H]2OCCN(Cc3cn(CCC#N)nc3-c3ccccc3)[C@@H]2C1 ZINC000284459106 551553547 /nfs/dbraw/zinc/55/35/47/551553547.db2.gz AHKHPRQSWIXUIP-UXHICEINSA-N 1 0 365.481 2.369 20 30 FEEDRO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@@H]1[C@H]1COCC[C@@]1(C)O ZINC000284900343 551662476 /nfs/dbraw/zinc/66/24/76/551662476.db2.gz SZAIPFKBNIHKBZ-VXXKDZQQSA-N 1 0 357.454 2.137 20 30 FEEDRO COCC[NH+](CCOC)C1CCN(Cc2cn3ccccc3c2C#N)CC1 ZINC000285391958 551748632 /nfs/dbraw/zinc/74/86/32/551748632.db2.gz DIZYKPRZVFXUKW-UHFFFAOYSA-N 1 0 370.497 2.370 20 30 FEEDRO C=C(C)COc1cc(C[NH2+]C2CCC3(CC2)NC(=O)NC3=O)ccc1OC ZINC000285613645 551783160 /nfs/dbraw/zinc/78/31/60/551783160.db2.gz XNEGEZDUDSIWLG-UHFFFAOYSA-N 1 0 373.453 2.261 20 30 FEEDRO N#Cc1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)ccc1F ZINC000285875887 551822164 /nfs/dbraw/zinc/82/21/64/551822164.db2.gz WFOPZXWGQNGXSQ-UYAOXDASSA-N 1 0 367.424 2.310 20 30 FEEDRO Cn1cncc1[C@H]1[C@H](C(=O)Nc2ccc(C#N)cc2)CCC(=O)N1C1CC1 ZINC000285908920 551825899 /nfs/dbraw/zinc/82/58/99/551825899.db2.gz KETXBFNAFHAFJK-VQIMIIECSA-N 1 0 363.421 2.373 20 30 FEEDRO N#Cc1c(N2CC[NH+](CC3CCOCC3)CC2)nc2cc(Cl)ccn12 ZINC000286039274 551841723 /nfs/dbraw/zinc/84/17/23/551841723.db2.gz BLXDWQFFCVWJHA-UHFFFAOYSA-N 1 0 359.861 2.408 20 30 FEEDRO C[NH+]1CCC(CCNC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)CC1 ZINC000286073480 551845554 /nfs/dbraw/zinc/84/55/54/551845554.db2.gz JHXGPEGEFJFJSO-KRWDZBQOSA-N 1 0 358.461 2.372 20 30 FEEDRO N#Cc1ccc(N2CC[C@@H](C(=O)N3CC[C@@H](C[NH+]4CCCC4)C3)C2)c(F)c1 ZINC000286215242 551862092 /nfs/dbraw/zinc/86/20/92/551862092.db2.gz LBLXPLWIKWYDQS-ZWKOTPCHSA-N 1 0 370.472 2.468 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)NCC[C@H](C)c2ccc(OC)cc2)CC1 ZINC000286414838 551884548 /nfs/dbraw/zinc/88/45/48/551884548.db2.gz FMUVEGMJVLIPHS-INIZCTEOSA-N 1 0 373.497 2.072 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H](Cc3ccccc3)[C@H]2C)CC1 ZINC000286468594 551889200 /nfs/dbraw/zinc/88/92/00/551889200.db2.gz ILXJIGCNUPVIMX-MJGOQNOKSA-N 1 0 369.509 2.233 20 30 FEEDRO CNC(=O)CC[C@H]1CCCC[N@@H+]1[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000286471924 551889992 /nfs/dbraw/zinc/88/99/92/551889992.db2.gz NTBXMSMHOUAZQA-MJGOQNOKSA-N 1 0 368.481 2.434 20 30 FEEDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000286541182 551897662 /nfs/dbraw/zinc/89/76/62/551897662.db2.gz CDJHOUVCCCTIJY-WFASDCNBSA-N 1 0 353.875 2.459 20 30 FEEDRO N#Cc1ccc(N2CC[C@H](C(=O)N3CC[NH+](CC4CC4)CC3)C2)c(F)c1 ZINC000286562566 551900103 /nfs/dbraw/zinc/90/01/03/551900103.db2.gz VHCJNCYNEIKQJO-KRWDZBQOSA-N 1 0 356.445 2.078 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCc3cccc(C)c3C2)CC1 ZINC000286611352 551906001 /nfs/dbraw/zinc/90/60/01/551906001.db2.gz LIIYATVELDLCRE-UHFFFAOYSA-N 1 0 355.482 2.036 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N2C[C@@H](c3ccc(F)cc3)C[C@@H]2C)CC1 ZINC000286737963 551920803 /nfs/dbraw/zinc/92/08/03/551920803.db2.gz RZYNISRMEWAOLX-RDJZCZTQSA-N 1 0 373.472 2.297 20 30 FEEDRO C[C@H](CC#N)N(C)C(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1c1cnn(C)c1 ZINC000286745065 551921152 /nfs/dbraw/zinc/92/11/52/551921152.db2.gz LDRRUJOJYHQCLC-AHRSYUTCSA-N 1 0 365.481 2.396 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H]2c2ccc(F)cc2)CC1 ZINC000286761255 551923166 /nfs/dbraw/zinc/92/31/66/551923166.db2.gz UEGMAXFMZKESED-GOSISDBHSA-N 1 0 359.445 2.256 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H]2c2cccc(C)c2)CC1 ZINC000286803052 551927588 /nfs/dbraw/zinc/92/75/88/551927588.db2.gz VBJNJYVKVCXWKV-LJQANCHMSA-N 1 0 355.482 2.425 20 30 FEEDRO Cc1nc(C#N)c(N2CCC(C(=O)N3CC[C@H]([NH+]4CCCC4)[C@@H]3C)CC2)o1 ZINC000287176453 551973323 /nfs/dbraw/zinc/97/33/23/551973323.db2.gz OMGNPYUAZFLYQG-KSSFIOAISA-N 1 0 371.485 2.156 20 30 FEEDRO CCN1CCN(C(=O)CC2CCN(c3snc(C)c3C#N)CC2)CC1 ZINC000287371264 551995574 /nfs/dbraw/zinc/99/55/74/551995574.db2.gz OCDDCUGPPCCEFV-UHFFFAOYSA-N 1 0 361.515 2.094 20 30 FEEDRO C#CCN(Cc1ccccc1)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000287379987 551996452 /nfs/dbraw/zinc/99/64/52/551996452.db2.gz LFWVPDLTSDFORH-UHFFFAOYSA-N 1 0 355.482 2.476 20 30 FEEDRO CC[NH+]1CCN([C@@H]2CCN(c3nc4cc(Cl)ccn4c3C#N)C2)CC1 ZINC000287436457 552003843 /nfs/dbraw/zinc/00/38/43/552003843.db2.gz QWQIQGFJFJPTHF-OAHLLOKOSA-N 1 0 358.877 2.076 20 30 FEEDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC000287503160 552012721 /nfs/dbraw/zinc/01/27/21/552012721.db2.gz UPQDNANVOCIGPH-XUWXXGDYSA-N 1 0 356.445 2.123 20 30 FEEDRO C#CCCC[N@H+]1CCCN(S(=O)(=O)c2cccc3cnccc32)CC1 ZINC000287575540 552020924 /nfs/dbraw/zinc/02/09/24/552020924.db2.gz BYEDFGYNSCTPBR-UHFFFAOYSA-N 1 0 357.479 2.345 20 30 FEEDRO C#CC[C@@H](Cc1ccccc1)NC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000287595856 552023257 /nfs/dbraw/zinc/02/32/57/552023257.db2.gz YJCVQMFNHBJDJC-CTNGQTDRSA-N 1 0 369.509 2.421 20 30 FEEDRO C=CCN(CCc1ccco1)C(=O)C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000287906326 552061390 /nfs/dbraw/zinc/06/13/90/552061390.db2.gz AELCRIJTDVZLGD-UHFFFAOYSA-N 1 0 361.486 2.075 20 30 FEEDRO CC[C@@H](CNC(=O)Cc1noc(C)c1C#N)[N@@H+]1CCc2ccccc2C1 ZINC000499542693 561553288 /nfs/dbraw/zinc/55/32/88/561553288.db2.gz VPBMHLLKAMXBNB-KRWDZBQOSA-N 1 0 352.438 2.350 20 30 FEEDRO N#Cc1ccc(C[N@H+]2CCCN(c3nccn(C(F)F)c3=O)CC2)cc1 ZINC000288107325 552092376 /nfs/dbraw/zinc/09/23/76/552092376.db2.gz KLUFCANEDRWISW-UHFFFAOYSA-N 1 0 359.380 2.222 20 30 FEEDRO C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000288228116 552114939 /nfs/dbraw/zinc/11/49/39/552114939.db2.gz UXNXJIHCDYZTPT-BZUAXINKSA-N 1 0 370.453 2.001 20 30 FEEDRO C=CCCCNC(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000288561928 552175517 /nfs/dbraw/zinc/17/55/17/552175517.db2.gz JXUCNJSNOVHHGS-GOSISDBHSA-N 1 0 357.498 2.486 20 30 FEEDRO CC(C)S(=O)(=O)CCNC(=[NH2+])Nc1ccccc1OC(F)(F)F ZINC000288674107 552196328 /nfs/dbraw/zinc/19/63/28/552196328.db2.gz HZIBSJNLNAGGJY-UHFFFAOYSA-N 1 0 353.366 2.135 20 30 FEEDRO C[N@@H+]1CCCN(c2ccc(-c3noc(-c4ccnc(C#N)c4)n3)cn2)CC1 ZINC000288993113 552249051 /nfs/dbraw/zinc/24/90/51/552249051.db2.gz SPDDKQXKPLNQRU-UHFFFAOYSA-N 1 0 361.409 2.207 20 30 FEEDRO CCCN(CC[NH+]1CCCC1)C(=O)C(=O)Nc1ccc(C#N)cc1Cl ZINC000289020377 552253717 /nfs/dbraw/zinc/25/37/17/552253717.db2.gz MMPRMCURUWFIRC-UHFFFAOYSA-N 1 0 362.861 2.485 20 30 FEEDRO N#Cc1cncc(S(=O)(=O)NCc2ccccc2C[NH+]2CCCC2)c1 ZINC000289928514 552401400 /nfs/dbraw/zinc/40/14/00/552401400.db2.gz USYGXHVMSGQRPN-UHFFFAOYSA-N 1 0 356.451 2.028 20 30 FEEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@H]1c2ccccc2CC12CCOCC2 ZINC000290146757 552434861 /nfs/dbraw/zinc/43/48/61/552434861.db2.gz NFDYJSNDNWLKRE-PBHICJAKSA-N 1 0 357.454 2.071 20 30 FEEDRO COc1cc(-c2noc(C3(C#N)CCOCC3)n2)ccc1OCC[NH+](C)C ZINC000290173790 552438305 /nfs/dbraw/zinc/43/83/05/552438305.db2.gz RRPWBGCYDYWANK-UHFFFAOYSA-N 1 0 372.425 2.257 20 30 FEEDRO N#CCCn1cc(C[NH2+]C[C@@H]2CCCS(=O)(=O)C2)c(-c2ccccc2)n1 ZINC000290230339 552445727 /nfs/dbraw/zinc/44/57/27/552445727.db2.gz YGEUZASNWCHQEW-INIZCTEOSA-N 1 0 372.494 2.378 20 30 FEEDRO CC[N@@H+]1CC[C@@H](N(C)c2nnc(COc3ccc(C#N)cc3)n2C)[C@H](C)C1 ZINC000290321842 552460126 /nfs/dbraw/zinc/46/01/26/552460126.db2.gz ZOFXRWOUKUCQEK-CRAIPNDOSA-N 1 0 368.485 2.432 20 30 FEEDRO C[C@H](Oc1ccc(C#N)cc1)C(=O)N(CC[NH+](C)C)Cc1ccccn1 ZINC000500796249 561582694 /nfs/dbraw/zinc/58/26/94/561582694.db2.gz QHXZCHFPXMTTBY-INIZCTEOSA-N 1 0 352.438 2.311 20 30 FEEDRO C=CCn1c(C(=O)N2CCCC2)nnc1N(C)C1CC[NH+](CCC)CC1 ZINC000290354985 552465838 /nfs/dbraw/zinc/46/58/38/552465838.db2.gz KVWFZLXYLWXGHA-UHFFFAOYSA-N 1 0 360.506 2.011 20 30 FEEDRO CC(C)[NH+]1CCC(N2CCN(c3ccc(C#N)c([N+](=O)[O-])c3)CC2)CC1 ZINC000291019432 552576741 /nfs/dbraw/zinc/57/67/41/552576741.db2.gz XHMFSGSJJSOAQQ-UHFFFAOYSA-N 1 0 357.458 2.461 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N[C@@H](C)c2ccc(N3CCCNC3=O)cc2)CC1 ZINC000291090661 552585640 /nfs/dbraw/zinc/58/56/40/552585640.db2.gz XLPAZOFQXZNCJG-INIZCTEOSA-N 1 0 368.481 2.129 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N[C@H](C)c2ccc(N3CCCNC3=O)cc2)CC1 ZINC000291090663 552585681 /nfs/dbraw/zinc/58/56/81/552585681.db2.gz XLPAZOFQXZNCJG-MRXNPFEDSA-N 1 0 368.481 2.129 20 30 FEEDRO C[N@@H+]1CC[C@@]2(CCN(S(=O)(=O)c3ccc(C#N)cc3C(F)(F)F)C2)C1 ZINC000292052313 552688618 /nfs/dbraw/zinc/68/86/18/552688618.db2.gz NSIAGKOOMJIKHR-OAHLLOKOSA-N 1 0 373.400 2.293 20 30 FEEDRO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292075306 552691013 /nfs/dbraw/zinc/69/10/13/552691013.db2.gz DZGWVRHLKYBTAB-UZLBHIALSA-N 1 0 358.461 2.488 20 30 FEEDRO COc1cc(C#N)ccc1OCCCC(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292117295 552695368 /nfs/dbraw/zinc/69/53/68/552695368.db2.gz GHGYSSPWLDCGDY-HXUWFJFHSA-N 1 0 357.454 2.280 20 30 FEEDRO C[N@@H+]1CCC[C@@]2(CCN(S(=O)(=O)c3ccc(Cl)cc3C#N)C2)C1 ZINC000292715821 552752188 /nfs/dbraw/zinc/75/21/88/552752188.db2.gz FKZZUCHAIMGDNO-MRXNPFEDSA-N 1 0 353.875 2.318 20 30 FEEDRO CC1(C)CC(NC(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)CC(C)(C)[NH2+]1 ZINC000292939863 552772950 /nfs/dbraw/zinc/77/29/50/552772950.db2.gz PDWRKQNURKYFCG-INIZCTEOSA-N 1 0 371.485 2.425 20 30 FEEDRO CC[NH+](CC)[C@H](CNC(=O)C(=O)Nc1ccc(C#N)cn1)c1ccccc1 ZINC000293086059 552787476 /nfs/dbraw/zinc/78/74/76/552787476.db2.gz QUKBJEGSSKLPOG-QGZVFWFLSA-N 1 0 365.437 2.091 20 30 FEEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1CCC[C@@H](CO)CC1 ZINC000293269563 552805309 /nfs/dbraw/zinc/80/53/09/552805309.db2.gz UVSBLHMMLJOZHF-DLBZAZTESA-N 1 0 359.470 2.425 20 30 FEEDRO C[C@H](CNC(=O)C(=O)Nc1ccccc1S[C@@H](C)CC#N)C[NH+](C)C ZINC000293311722 552810395 /nfs/dbraw/zinc/81/03/95/552810395.db2.gz XHJHYTIEEODWHO-KGLIPLIRSA-N 1 0 362.499 2.333 20 30 FEEDRO Cc1cccc(NC(=O)C(=O)N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)c1C#N ZINC000293335261 552812711 /nfs/dbraw/zinc/81/27/11/552812711.db2.gz DHQBRRUTFKNSQX-CQSZACIVSA-N 1 0 354.454 2.138 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000293924917 552868572 /nfs/dbraw/zinc/86/85/72/552868572.db2.gz HGDPUJNIMNFCHF-UHFFFAOYSA-N 1 0 372.194 2.181 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000294009477 552875027 /nfs/dbraw/zinc/87/50/27/552875027.db2.gz PPDMSSLQOHWHGE-UHFFFAOYSA-N 1 0 354.204 2.042 20 30 FEEDRO C#CCNC(=O)CC[NH2+]C1(c2cccc(C(F)(F)F)c2)CCOCC1 ZINC000294353791 552899535 /nfs/dbraw/zinc/89/95/35/552899535.db2.gz ZOXHYDDSTJSDLJ-UHFFFAOYSA-N 1 0 354.372 2.440 20 30 FEEDRO C[C@H]([N@H+](C)CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)C(C)(C)O ZINC000295123360 552960990 /nfs/dbraw/zinc/96/09/90/552960990.db2.gz JBDWKAWPFGWWBC-ZDUSSCGKSA-N 1 0 356.388 2.264 20 30 FEEDRO C[C@@H]1CCCC[N@@H+]1CCCNS(=O)(=O)Cc1ccc(F)cc1C#N ZINC000296040923 553094410 /nfs/dbraw/zinc/09/44/10/553094410.db2.gz SQRQEDLETJZDLH-CQSZACIVSA-N 1 0 353.463 2.381 20 30 FEEDRO CCC[C@H]([NH2+]C(C)C)C(=O)N1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000502553452 561620919 /nfs/dbraw/zinc/62/09/19/561620919.db2.gz HLOUPINLXGCOBT-CFLQYTFWSA-N 1 0 354.454 2.025 20 30 FEEDRO COc1cc(C[NH2+]C[C@H]2CN(C(=O)OC(C)(C)C)CCO2)ccc1C#N ZINC000296597753 553185196 /nfs/dbraw/zinc/18/51/96/553185196.db2.gz RCXNJCBZJPGCOE-INIZCTEOSA-N 1 0 361.442 2.292 20 30 FEEDRO C[NH+](C)CCCOc1cnccc1CNC(=O)N[C@H]1CC[C@@H](CC#N)C1 ZINC000296911083 553228602 /nfs/dbraw/zinc/22/86/02/553228602.db2.gz CJFHUISCQYKCQT-RDJZCZTQSA-N 1 0 359.474 2.294 20 30 FEEDRO Cc1cc(C#N)cc(NC[C@H]2CN(C(=O)c3ccccc3)[C@H]3CC[N@@H+]2C3)n1 ZINC000601137990 553351785 /nfs/dbraw/zinc/35/17/85/553351785.db2.gz LOCADXRONDXCNC-OALUTQOASA-N 1 0 361.449 2.273 20 30 FEEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N(C)CCC[NH+]1CCCC1 ZINC000298211362 553398430 /nfs/dbraw/zinc/39/84/30/553398430.db2.gz HCVMGVZIAPRCBJ-UHFFFAOYSA-N 1 0 370.497 2.241 20 30 FEEDRO CC(C)(C#N)c1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000298590382 553445489 /nfs/dbraw/zinc/44/54/89/553445489.db2.gz IHNIVTKBUVGBLZ-IAGOWNOFSA-N 1 0 354.454 2.169 20 30 FEEDRO C=CCC(CC=C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCC[NH+](C)C ZINC000298669125 553456535 /nfs/dbraw/zinc/45/65/35/553456535.db2.gz XJASNGOYUJZBMT-FQEVSTJZSA-N 1 0 369.509 2.386 20 30 FEEDRO COC(=O)[C@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)C1 ZINC000298803766 553474984 /nfs/dbraw/zinc/47/49/84/553474984.db2.gz OXZRCIOYFGQCRC-LBPRGKRZSA-N 1 0 361.467 2.322 20 30 FEEDRO C=CCN(CCc1ccccc1)C(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000299035190 553506478 /nfs/dbraw/zinc/50/64/78/553506478.db2.gz ILRIQJWXWJNOOD-FQEVSTJZSA-N 1 0 369.509 2.188 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N2CCCN(Cc3ccc(F)cc3)CC2)CC1 ZINC000299152547 553522441 /nfs/dbraw/zinc/52/24/41/553522441.db2.gz MZUXTMVFCYGFKR-UHFFFAOYSA-N 1 0 357.473 2.205 20 30 FEEDRO N#CC1(C(=O)Nc2ccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)cc2)CCCC1 ZINC000299646368 553595201 /nfs/dbraw/zinc/59/52/01/553595201.db2.gz UKCNNSVNVDGTGW-MRXNPFEDSA-N 1 0 354.454 2.406 20 30 FEEDRO C#CCNC(=O)c1ccc(N[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)nc1 ZINC000301323917 553642336 /nfs/dbraw/zinc/64/23/36/553642336.db2.gz WXPGFHYXSGECKT-QFBILLFUSA-N 1 0 363.465 2.162 20 30 FEEDRO [NH2+]=C(NCCCS(=O)(=O)c1ccccc1)N[C@@H]1CCOc2ccccc21 ZINC000304518876 553747746 /nfs/dbraw/zinc/74/77/46/553747746.db2.gz WSBJRPYZFAVTGL-QGZVFWFLSA-N 1 0 373.478 2.279 20 30 FEEDRO COC(=O)c1cnc(NC2CC[NH+](Cc3cccc(C#N)c3)CC2)cn1 ZINC000603403669 553780965 /nfs/dbraw/zinc/78/09/65/553780965.db2.gz KRMLWIJDESCPPP-UHFFFAOYSA-N 1 0 351.410 2.211 20 30 FEEDRO N#Cc1cc(N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)nc2ccccc12 ZINC000603422795 553784641 /nfs/dbraw/zinc/78/46/41/553784641.db2.gz JAZFHJIBBIXVHM-GOSISDBHSA-N 1 0 365.481 2.315 20 30 FEEDRO CN(CCC[NH2+]CCS(=O)(=O)c1cccc(C#N)c1)c1ccccc1 ZINC000327012524 553785136 /nfs/dbraw/zinc/78/51/36/553785136.db2.gz FRWSBWUQYUPGCB-UHFFFAOYSA-N 1 0 357.479 2.448 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC000328609471 553795841 /nfs/dbraw/zinc/79/58/41/553795841.db2.gz MTZYILOXVBPPTO-BQFCYCMXSA-N 1 0 351.491 2.067 20 30 FEEDRO CCCc1noc2nc(CC)cc(C(=O)NC[C@@H]3C[N@H+](C)CCN3C)c12 ZINC000328636266 553800071 /nfs/dbraw/zinc/80/00/71/553800071.db2.gz ADDXHMXLTDYKAA-CQSZACIVSA-N 1 0 359.474 2.288 20 30 FEEDRO Cc1noc(C)c1C[C@@H](C)NC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000328667470 553804804 /nfs/dbraw/zinc/80/48/04/553804804.db2.gz DDCYDQIRKZMXPB-RHSMWYFYSA-N 1 0 364.490 2.181 20 30 FEEDRO CC[C@@H]1CN(C(=O)N[C@H]2CCCC23CCOCC3)CC[N@@H+]1CCOC ZINC000328689932 553807735 /nfs/dbraw/zinc/80/77/35/553807735.db2.gz DFGGRKQLSJKGHO-SJORKVTESA-N 1 0 353.507 2.292 20 30 FEEDRO C[NH+](C)C1(CNC(=O)NC[C@@H]2CCC3(CCOCC3)[C@H]2O)CCCCC1 ZINC000328715068 553811069 /nfs/dbraw/zinc/81/10/69/553811069.db2.gz SSAMDJDFNGEOFS-IRXDYDNUSA-N 1 0 367.534 2.322 20 30 FEEDRO Cc1ccc([C@H](CNC(=O)N2CC(=O)N(C)[C@H](C)C2)[NH+]2CCCC2)cc1 ZINC000328717853 553811592 /nfs/dbraw/zinc/81/15/92/553811592.db2.gz PMZKPDGSWUXZNR-AEFFLSMTSA-N 1 0 358.486 2.208 20 30 FEEDRO O=C(NC[C@@H]1CCC2(CCOCC2)[C@@H]1O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000328722232 553812746 /nfs/dbraw/zinc/81/27/46/553812746.db2.gz XJTUVRBXCOPOTQ-CGTJXYLNSA-N 1 0 366.502 2.154 20 30 FEEDRO Cc1csc([C@@H]2CN(C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@@H]34)CCO2)n1 ZINC000328748636 553815944 /nfs/dbraw/zinc/81/59/44/553815944.db2.gz QNUCKIRBQQXRCP-ILXRZTDVSA-N 1 0 350.488 2.366 20 30 FEEDRO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)N[C@@H]2CCCC23CCOCC3)CC1 ZINC000328786935 553822349 /nfs/dbraw/zinc/82/23/49/553822349.db2.gz JIFRYHVVOXEVLQ-FUHWJXTLSA-N 1 0 367.534 2.274 20 30 FEEDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)N[C@H]1CCCC12CCOCC2 ZINC000328819713 553827238 /nfs/dbraw/zinc/82/72/38/553827238.db2.gz ONUIGLUXKVHRPK-AEFFLSMTSA-N 1 0 365.518 2.435 20 30 FEEDRO CC(C)[C@H](CNC(=O)N1CC[C@@H](C2CCOCC2)C1)N1CCOCC1 ZINC000328830099 553829632 /nfs/dbraw/zinc/82/96/32/553829632.db2.gz KJWHQYHMYGZBJW-MSOLQXFVSA-N 1 0 353.507 2.006 20 30 FEEDRO CC(C)[NH+](CCN(C)CCS(=O)(=O)c1cccc(C#N)c1)C(C)C ZINC000505905898 561684915 /nfs/dbraw/zinc/68/49/15/561684915.db2.gz JMQURPINPLPKDO-UHFFFAOYSA-N 1 0 351.516 2.383 20 30 FEEDRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CCCO[C@H]2c2ccnn2C)C1 ZINC000328953471 553852067 /nfs/dbraw/zinc/85/20/67/553852067.db2.gz MLZUNLXFIHVXGA-JFIYKMOQSA-N 1 0 364.490 2.201 20 30 FEEDRO C[C@]1(O)CCOC[C@@H]1[C@@H]1CCC[N@@H+]1CC(=O)NC[C@H]1Cc2ccccc2O1 ZINC000328957775 553852763 /nfs/dbraw/zinc/85/27/63/553852763.db2.gz JMAPFUDONNBJIL-WIRSXHRWSA-N 1 0 374.481 2.199 20 30 FEEDRO CC[NH+]1CCC(NC(=O)N2CCN(C(C)=O)C3(CCCCC3)C2)CC1 ZINC000328962810 553854543 /nfs/dbraw/zinc/85/45/43/553854543.db2.gz LEHHKNVIKVWELY-UHFFFAOYSA-N 1 0 350.507 2.252 20 30 FEEDRO CC1=CC[N@H+](CCNC(=O)[C@@H]2OCC(=O)N(C)[C@@H]2c2ccccc2)CC1 ZINC000328993559 553861087 /nfs/dbraw/zinc/86/10/87/553861087.db2.gz JALPSNCNDSUSIA-RTBURBONSA-N 1 0 357.454 2.193 20 30 FEEDRO C[C@@H]1[C@H](C)[S@@](=O)CCN1C(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000328995632 553861685 /nfs/dbraw/zinc/86/16/85/553861685.db2.gz FINZFATYOYYAJW-IYPVNNRCSA-N 1 0 355.548 2.396 20 30 FEEDRO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1ccnn1C ZINC000329030256 553867734 /nfs/dbraw/zinc/86/77/34/553867734.db2.gz WWJZVIMRVYFCNA-FKEXNYPISA-N 1 0 373.501 2.444 20 30 FEEDRO Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C(C)(C)C)CC2)o1 ZINC000329111928 553882572 /nfs/dbraw/zinc/88/25/72/553882572.db2.gz RDDOPQRTFKDAGB-MRXNPFEDSA-N 1 0 359.474 2.014 20 30 FEEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CC(=O)N(C3CCCCC3)C2)[C@H](C)C1 ZINC000329131494 553886013 /nfs/dbraw/zinc/88/60/13/553886013.db2.gz AFVFRGRRBTXIPQ-NUJGCVRESA-N 1 0 364.534 2.496 20 30 FEEDRO CC(C)N1C(=O)N[C@@H]2CN(C(=O)NC[C@@H]3CCC[N@@H+](C(C)C)C3)CC[C@@H]21 ZINC000329138237 553887242 /nfs/dbraw/zinc/88/72/42/553887242.db2.gz RVOVGUSEYBAWSB-BBWFWOEESA-N 1 0 365.522 2.102 20 30 FEEDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)N[C@@H]1CC(=O)N(C2CCCCC2)C1 ZINC000329173605 553895835 /nfs/dbraw/zinc/89/58/35/553895835.db2.gz LNXISDISUJZRJS-INMHGKMJSA-N 1 0 350.507 2.106 20 30 FEEDRO O=C(N[C@H]1CC(=O)N(C2CCCCC2)C1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000329195183 553900054 /nfs/dbraw/zinc/90/00/54/553900054.db2.gz VDCOULYOEJSZAS-WMZOPIPTSA-N 1 0 362.518 2.394 20 30 FEEDRO CC(C)CNC(=O)N1CCC[C@H](CC(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)C1 ZINC000329205110 553902218 /nfs/dbraw/zinc/90/22/18/553902218.db2.gz DGUYKRJKXXHXSA-YLJYHZDGSA-N 1 0 364.534 2.213 20 30 FEEDRO Cn1ccnc1[C@H]1OCC[C@@H]1NC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000329224844 553905968 /nfs/dbraw/zinc/90/59/68/553905968.db2.gz FTWRWMAPEHHXPX-OWLYRPNTSA-N 1 0 373.501 2.113 20 30 FEEDRO CCOC1CC2(C1)CCN(C(=O)NCC1([NH+]3CCCC3)CCOCC1)C2 ZINC000329238376 553908936 /nfs/dbraw/zinc/90/89/36/553908936.db2.gz PPUBGNKJRFJRBN-UHFFFAOYSA-N 1 0 365.518 2.436 20 30 FEEDRO CC(=O)Nc1ncc(S(=O)(=O)N(C)Cc2cn3c(n2)CCCC3)s1 ZINC000329244704 553910026 /nfs/dbraw/zinc/91/00/26/553910026.db2.gz USPLQOOATYCVAS-UHFFFAOYSA-N 1 0 369.472 2.105 20 30 FEEDRO CC(C)(C)c1cn2c(n1)CC[C@@H](NC(=O)N1CCN(CC(F)F)CC1)C2 ZINC000329299253 553920320 /nfs/dbraw/zinc/92/03/20/553920320.db2.gz UTURYPOZMVZFOR-CYBMUJFWSA-N 1 0 369.460 2.292 20 30 FEEDRO Cc1nccn1C[C@H](C)CNC(=O)N1CCC(C(=O)N2CCCC2)CC1 ZINC000329299116 553920472 /nfs/dbraw/zinc/92/04/72/553920472.db2.gz URPVXBAISJIYLQ-OAHLLOKOSA-N 1 0 361.490 2.076 20 30 FEEDRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)N[C@@H]1CCC(=O)N[C@H]1C(C)(C)C ZINC000329361744 553932262 /nfs/dbraw/zinc/93/22/62/553932262.db2.gz IPUBZMOYLQNRAG-SQWLQELKSA-N 1 0 368.522 2.211 20 30 FEEDRO C[NH+]1CCC(C)(CNC(=O)c2cccc(S(=O)(=O)NC3CC3)c2)CC1 ZINC000329363616 553932599 /nfs/dbraw/zinc/93/25/99/553932599.db2.gz ZNVMALXTUSRYTM-UHFFFAOYSA-N 1 0 365.499 2.164 20 30 FEEDRO CC(=O)N[C@@H]1CCCN(C(=O)C[NH2+][C@H](c2ccccc2)[C@H]2CCOC2)C1 ZINC000329395761 553938581 /nfs/dbraw/zinc/93/85/81/553938581.db2.gz UDVFQQBMNRGPKG-NLWGTHIKSA-N 1 0 359.470 2.321 20 30 FEEDRO COc1cccc([C@H](C)C(=O)NC2CC[NH+]([C@@H]3CCN(C)C3=O)CC2)c1 ZINC000329427514 553944687 /nfs/dbraw/zinc/94/46/87/553944687.db2.gz JLUAWHOMELYPCV-KBXCAEBGSA-N 1 0 359.470 2.450 20 30 FEEDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)N1CCC[C@H]2C(=O)NC[C@H]21 ZINC000329459386 553950624 /nfs/dbraw/zinc/95/06/24/553950624.db2.gz RKMVYIRWTFVWFQ-VDHUWJSZSA-N 1 0 356.470 2.472 20 30 FEEDRO CC[N@@H+]1C[C@H](C)N(C(=O)N[C@H](c2nccn2C)C2CCOCC2)C[C@@H]1C ZINC000329456820 553950736 /nfs/dbraw/zinc/95/07/36/553950736.db2.gz NBWCGIASEDJZIM-ZOBUZTSGSA-N 1 0 363.506 2.216 20 30 FEEDRO CN(C(=O)N[C@@H]1CCOC2(CCOCC2)C1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000329460741 553951041 /nfs/dbraw/zinc/95/10/41/553951041.db2.gz SFPLPWUCIPOKMA-VPSFDDGASA-N 1 0 351.491 2.186 20 30 FEEDRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)N[C@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000329466334 553951719 /nfs/dbraw/zinc/95/17/19/553951719.db2.gz RXRLQPJTJQXZAA-OLZOCXBDSA-N 1 0 362.861 2.186 20 30 FEEDRO C[C@@H]1N(C(=O)N[C@H](c2nccn2C)C2CCOCC2)CCOC1(C)C ZINC000329480760 553954395 /nfs/dbraw/zinc/95/43/95/553954395.db2.gz PHOHWRUHAXYYNK-ZFWWWQNUSA-N 1 0 350.463 2.301 20 30 FEEDRO CC(C)N1C[C@H](NC(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)CC1=O ZINC000329543527 553964973 /nfs/dbraw/zinc/96/49/73/553964973.db2.gz YIWYUHTTYFBLJC-CABCVRRESA-N 1 0 364.515 2.398 20 30 FEEDRO CC(C)CNC(=O)N1CCC[C@H](C(=O)N2CCC[C@H]2C[NH+]2CCCC2)C1 ZINC000329582593 553971858 /nfs/dbraw/zinc/97/18/58/553971858.db2.gz QICXHMHPHZPSMK-ROUUACIJSA-N 1 0 364.534 2.355 20 30 FEEDRO O=C(NCC1([NH+]2CCCC2)CCOCC1)c1ccccc1-n1ccnn1 ZINC000329593914 553973960 /nfs/dbraw/zinc/97/39/60/553973960.db2.gz ZZFSFNPWVDAUDN-UHFFFAOYSA-N 1 0 355.442 2.217 20 30 FEEDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)Nc1ncn(C(C)(C)C)n1 ZINC000329624615 553978956 /nfs/dbraw/zinc/97/89/56/553978956.db2.gz OGRBUZVMNBWEAG-ZBFHGGJFSA-N 1 0 356.474 2.880 20 30 FEEDRO C[NH+]1CCC2(CCCN2C(=O)N[C@@H]2CCCN(c3cccnc3)C2=O)CC1 ZINC000329764225 554001753 /nfs/dbraw/zinc/00/17/53/554001753.db2.gz VMFRBSYPDBEGLB-QGZVFWFLSA-N 1 0 371.485 2.051 20 30 FEEDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@H]1CC(=O)N(c2ccccc2F)C1 ZINC000329791666 554006934 /nfs/dbraw/zinc/00/69/34/554006934.db2.gz DWYQBYLQMWJAKO-XHSDSOJGSA-N 1 0 374.460 2.404 20 30 FEEDRO C[NH+]1CCC2(CCCN2C(=O)N[C@@H]2CC(=O)N(c3ccccc3F)C2)CC1 ZINC000329815278 554010715 /nfs/dbraw/zinc/01/07/15/554010715.db2.gz NVWZFPPUJUTTSL-OAHLLOKOSA-N 1 0 374.460 2.405 20 30 FEEDRO O=C(NCCc1cn2c(n1)SCC2)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000329878425 554023565 /nfs/dbraw/zinc/02/35/65/554023565.db2.gz KSSPRDLBUWZWGY-INIZCTEOSA-N 1 0 363.531 2.396 20 30 FEEDRO CCC[NH+]1CCC(NC(=O)N2CCO[C@H](c3nnc(C(C)C)o3)C2)CC1 ZINC000329899586 554027366 /nfs/dbraw/zinc/02/73/66/554027366.db2.gz FOYVNHPQLDFWJY-HNNXBMFYSA-N 1 0 365.478 2.355 20 30 FEEDRO CN1C[C@H](NC(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)CC1=O ZINC000329913128 554030120 /nfs/dbraw/zinc/03/01/20/554030120.db2.gz BPKQQXXFTFTYBV-GOSISDBHSA-N 1 0 358.486 2.297 20 30 FEEDRO CN1C[C@@H](NC(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)CC1=O ZINC000329938644 554035704 /nfs/dbraw/zinc/03/57/04/554035704.db2.gz AKVVRIJMOZGPHD-SFHVURJKSA-N 1 0 358.486 2.297 20 30 FEEDRO CC[C@H](NC(=O)N1CC[NH+](CC2CCOCC2)CC1)C1CCOCC1 ZINC000329948599 554037210 /nfs/dbraw/zinc/03/72/10/554037210.db2.gz KVSSVPAEPQTDOD-SFHVURJKSA-N 1 0 353.507 2.150 20 30 FEEDRO CCS(=O)(=O)N1CCC[C@H](C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)C1 ZINC000329974017 554042120 /nfs/dbraw/zinc/04/21/20/554042120.db2.gz YXKOQCZHPGFLSJ-GOEBONIOSA-N 1 0 357.520 2.022 20 30 FEEDRO Cc1cc2ncc(C(=O)NC(C)(C)CC[NH+]3CCN(C)CC3)c(C)n2n1 ZINC000329996686 554046164 /nfs/dbraw/zinc/04/61/64/554046164.db2.gz PGOJUAOQJMDCHF-UHFFFAOYSA-N 1 0 358.490 2.067 20 30 FEEDRO Cc1c([C@@H]2[C@@H](C(=O)NC3CC([NH+]4CCCCC4)C3)CC(=O)N2C)cnn1C ZINC000330048187 554054660 /nfs/dbraw/zinc/05/46/60/554054660.db2.gz IHLCDCPIXOWREX-GETDIDHLSA-N 1 0 373.501 2.221 20 30 FEEDRO Cc1c(C(=O)NC2CC[NH+](C3CCCC3)CC2)cnn1-c1ccc(=O)[nH]n1 ZINC000330088868 554062478 /nfs/dbraw/zinc/06/24/78/554062478.db2.gz VEEPHNHJQSHEAL-UHFFFAOYSA-N 1 0 370.457 2.388 20 30 FEEDRO CCn1cc([C@@H]2NC(=O)CC[C@H]2NC(=O)N2CCC[C@H]([NH+](C)C)C2)cn1 ZINC000330126571 554069489 /nfs/dbraw/zinc/06/94/89/554069489.db2.gz CBEBLJPKYNLDCB-UXLLHSPISA-N 1 0 362.478 2.003 20 30 FEEDRO C[C@H](NC(=O)C1CCCCC1)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000330182066 554080211 /nfs/dbraw/zinc/08/02/11/554080211.db2.gz HALSZMYEOHFDSO-JKSUJKDBSA-N 1 0 351.491 2.092 20 30 FEEDRO CC(C)[C@H]1OCC[C@H]1CNC(=O)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000330207512 554085606 /nfs/dbraw/zinc/08/56/06/554085606.db2.gz GAIBWCYVLHRNSG-SOLBZPMBSA-N 1 0 353.507 2.147 20 30 FEEDRO O=C(N[C@@H]1CCOC2(CCCCC2)C1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000330225252 554088809 /nfs/dbraw/zinc/08/88/09/554088809.db2.gz OCHNBOODTBHHPG-QZTJIDSGSA-N 1 0 365.518 2.436 20 30 FEEDRO C=CCN1C(=O)c2ccc(C(=O)N3C[C@H]4CCC[N@H+]4C[C@@H]3CC)cc2C1=O ZINC000330238676 554091087 /nfs/dbraw/zinc/09/10/87/554091087.db2.gz ZYZAQOPHIGUDJT-JKSUJKDBSA-N 1 0 367.449 2.167 20 30 FEEDRO C[C@@H](CCNC(=O)N1C[C@@H](C)O[C@@]2(CCCOC2)C1)[NH+]1CCCCC1 ZINC000330236692 554091100 /nfs/dbraw/zinc/09/11/00/554091100.db2.gz AHCDUNMFUUOAQK-SCTDSRPQSA-N 1 0 353.507 2.435 20 30 FEEDRO C[C@H](CNC(=O)N[C@@H]1CCOC2(CCOCC2)C1)C[NH+]1CCCCC1 ZINC000330266757 554095713 /nfs/dbraw/zinc/09/57/13/554095713.db2.gz QCUNHYIKDRISGW-IAGOWNOFSA-N 1 0 353.507 2.340 20 30 FEEDRO CCc1nc(C)c(CNC(=O)N2CC[N@@H+](C3CCOCC3)C[C@H]2C)o1 ZINC000330273590 554096918 /nfs/dbraw/zinc/09/69/18/554096918.db2.gz ZKYKJASDUXZDEO-CYBMUJFWSA-N 1 0 350.463 2.145 20 30 FEEDRO CC[C@]1(O)CCN(C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)C1 ZINC000330285498 554099540 /nfs/dbraw/zinc/09/95/40/554099540.db2.gz YZAJUUOOPDDEKH-IBGZPJMESA-N 1 0 353.507 2.030 20 30 FEEDRO C[C@@H]1CCC[N@H+](CCNC(=O)[C@@H]2OCC(=O)N(C)[C@H]2c2ccccc2)C1 ZINC000330311446 554103730 /nfs/dbraw/zinc/10/37/30/554103730.db2.gz VSSLBKKEFPKHKO-AYOQOUSVSA-N 1 0 359.470 2.273 20 30 FEEDRO Cc1nsc(N2CCN(C(=O)CC[N@H+]3CCCC[C@H]3C)CC2)c1C#N ZINC000330315480 554104139 /nfs/dbraw/zinc/10/41/39/554104139.db2.gz PQUYFLNKLAEVKB-CQSZACIVSA-N 1 0 361.515 2.236 20 30 FEEDRO C[C@@H]1C[N@@H+](CC2CCN(C(=O)N[C@@H]3CCOC[C@@H]3C)CC2)C[C@H](C)O1 ZINC000330321225 554105028 /nfs/dbraw/zinc/10/50/28/554105028.db2.gz FTJMZKANFRISTG-LISAXSMJSA-N 1 0 353.507 2.147 20 30 FEEDRO CCN(C[C@H](C)C#N)S(=O)(=O)N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000330368858 554111930 /nfs/dbraw/zinc/11/19/30/554111930.db2.gz AQHHRGAXJARNEA-SOLBZPMBSA-N 1 0 364.515 2.138 20 30 FEEDRO C[C@@H](C#N)CN(C)S(=O)(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000330379117 554113451 /nfs/dbraw/zinc/11/34/51/554113451.db2.gz GMWKIDVAMSKTCN-HOTGVXAUSA-N 1 0 364.515 2.138 20 30 FEEDRO CC1CC[NH+](C2CCC(NC(=O)NC[C@@H](O)C(F)(F)F)CC2)CC1 ZINC000330386422 554114430 /nfs/dbraw/zinc/11/44/30/554114430.db2.gz UYUZNSQKZFEZQP-JXQTWKCFSA-N 1 0 351.413 2.456 20 30 FEEDRO CC[NH+](CC)C[C@@H](C)NC(=O)N1CCN(C(=O)C2CCCCC2)CC1 ZINC000330481458 554126801 /nfs/dbraw/zinc/12/68/01/554126801.db2.gz PJKDVQAQIIKWAO-MRXNPFEDSA-N 1 0 352.523 2.355 20 30 FEEDRO Cc1cc(CCNC(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)cc(C)c1O ZINC000330944943 554192214 /nfs/dbraw/zinc/19/22/14/554192214.db2.gz FVMHIFLSUPNTPU-MRXNPFEDSA-N 1 0 363.502 2.243 20 30 FEEDRO CC1CC[NH+](C[C@H](O)CNC(=O)c2ncccc2Br)CC1 ZINC000331063725 554207805 /nfs/dbraw/zinc/20/78/05/554207805.db2.gz OZKQBTOGZZOKPQ-GFCCVEGCSA-N 1 0 356.264 2.242 20 30 FEEDRO Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)N1CCC([N@H+](C)CCO)CC1 ZINC000331192307 554228761 /nfs/dbraw/zinc/22/87/61/554228761.db2.gz XFTBTPHGGWADGR-CQSZACIVSA-N 1 0 365.522 2.310 20 30 FEEDRO C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)[C@H]1CCCOC1 ZINC000508770356 561772350 /nfs/dbraw/zinc/77/23/50/561772350.db2.gz OBBBIDLSHJSTAG-APWZRJJASA-N 1 0 358.486 2.447 20 30 FEEDRO CC1(C)CCC[N@H+](CCNS(=O)(=O)Cc2ccc(F)cc2C#N)C1 ZINC000331352952 554250127 /nfs/dbraw/zinc/25/01/27/554250127.db2.gz ZSAFJOZRLVDVPM-UHFFFAOYSA-N 1 0 353.463 2.239 20 30 FEEDRO C=CCn1c(CC2CC2)nnc1N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000508889188 561776980 /nfs/dbraw/zinc/77/69/80/561776980.db2.gz RAOJDHPDGLHQDL-UHFFFAOYSA-N 1 0 359.518 2.355 20 30 FEEDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000331480078 554271566 /nfs/dbraw/zinc/27/15/66/554271566.db2.gz JKTCDFSOASWRFK-HZMBPMFUSA-N 1 0 373.400 2.338 20 30 FEEDRO CN(C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C)C(=O)c1ccc(C#N)c(O)c1 ZINC000331736545 554318286 /nfs/dbraw/zinc/31/82/86/554318286.db2.gz UAQVQOPVVUSBAF-QFBILLFUSA-N 1 0 367.453 2.152 20 30 FEEDRO CC[NH+](CC)[C@@H](CNS(=O)(=O)N(C)[C@H](C)CC#N)Cc1ccccc1 ZINC000509420936 561798775 /nfs/dbraw/zinc/79/87/75/561798775.db2.gz YSURTONXBIHKAG-SJLPKXTDSA-N 1 0 366.531 2.008 20 30 FEEDRO Cc1cc(C(=O)N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)ncc1C#N ZINC000332100297 554380483 /nfs/dbraw/zinc/38/04/83/554380483.db2.gz DWSWPABYGYBWAH-IYBDPMFKSA-N 1 0 356.470 2.223 20 30 FEEDRO CCN(CC[NH+]1CCCCCC1)C(=O)C(=O)Nc1cc(C#N)ccc1OC ZINC000509828063 561815445 /nfs/dbraw/zinc/81/54/45/561815445.db2.gz RQIKXGSOKGSLRH-UHFFFAOYSA-N 1 0 372.469 2.230 20 30 FEEDRO N#Cc1ccc(N2CCN(C(=O)N[C@@H]3CCC[C@@H]([NH3+])C3)CC2)c(Cl)c1 ZINC000332517742 554460855 /nfs/dbraw/zinc/46/08/55/554460855.db2.gz AYDXWMOCRTUVSS-HUUCEWRRSA-N 1 0 361.877 2.313 20 30 FEEDRO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 ZINC000332667930 554493828 /nfs/dbraw/zinc/49/38/28/554493828.db2.gz MIWCSTLUJUSJLN-QWHCGFSZSA-N 1 0 372.860 2.954 20 30 FEEDRO N#Cc1cc(Br)cnc1N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000333639627 554629937 /nfs/dbraw/zinc/62/99/37/554629937.db2.gz HXRNLGPQJGKSPR-GJZGRUSLSA-N 1 0 365.275 2.438 20 30 FEEDRO N#Cc1ccc(N2CC[C@H]([N@@H+]3CCC[C@@H](N4CCCC4=O)CC3)C2=O)cc1 ZINC000333684437 554633087 /nfs/dbraw/zinc/63/30/87/554633087.db2.gz AFOIEYGELUDCQG-MJGOQNOKSA-N 1 0 366.465 2.140 20 30 FEEDRO C[C@H]1[NH2+]CCN(C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)[C@@H]1C ZINC000333822684 554646846 /nfs/dbraw/zinc/64/68/46/554646846.db2.gz RLIMUJAVNNIJKS-QBBMROGASA-N 1 0 357.458 2.035 20 30 FEEDRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000333895996 554653420 /nfs/dbraw/zinc/65/34/20/554653420.db2.gz ZBAZIHPDAQQQOH-SUMWQHHRSA-N 1 0 360.433 2.248 20 30 FEEDRO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC[C@H](N2CCCC2=O)CC1 ZINC000334017558 554668538 /nfs/dbraw/zinc/66/85/38/554668538.db2.gz BTYZOEJUPOUKTC-SJORKVTESA-N 1 0 360.502 2.194 20 30 FEEDRO C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000360588295 554881123 /nfs/dbraw/zinc/88/11/23/554881123.db2.gz MPYDGHBUYKVKIT-QGZVFWFLSA-N 1 0 370.497 2.320 20 30 FEEDRO CN1CCC([N@@H+]2CC[C@@H](NC(=O)N[C@H](CCC#N)c3ccccc3)C2)CC1 ZINC000360853156 554892699 /nfs/dbraw/zinc/89/26/99/554892699.db2.gz XMHAXDUWPQXPPU-UYAOXDASSA-N 1 0 369.513 2.499 20 30 FEEDRO C[C@@H]([NH2+]C[C@]1(N2CCOCC2)CCCOC1)c1ccc(OCC#N)cc1 ZINC000362043449 554945709 /nfs/dbraw/zinc/94/57/09/554945709.db2.gz XDWPWAFXWUULMH-YLJYHZDGSA-N 1 0 359.470 2.121 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)[C@]2(NC(C)=O)CCCc3ccccc32)CC1 ZINC000362375142 554966959 /nfs/dbraw/zinc/96/69/59/554966959.db2.gz AWNBMGXWRIDLGN-NRFANRHFSA-N 1 0 355.482 2.121 20 30 FEEDRO N#Cc1ccc(NC(=O)CC[N@@H+]2CCCC[C@H]2CN2CCCC2=O)cc1 ZINC000362776209 554987816 /nfs/dbraw/zinc/98/78/16/554987816.db2.gz TYBXMUYGDHOTDU-SFHVURJKSA-N 1 0 354.454 2.364 20 30 FEEDRO N#Cc1ccccc1NC(=O)CC[N@@H+]1CCCC[C@H]1C(=O)N1CCCC1 ZINC000362942900 555001341 /nfs/dbraw/zinc/00/13/41/555001341.db2.gz QZARNHWANKFXGA-SFHVURJKSA-N 1 0 354.454 2.364 20 30 FEEDRO Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N(C)[C@H]3CC[N@@H+](C)C[C@@H]3C)C2)n1 ZINC000363114222 555033542 /nfs/dbraw/zinc/03/35/42/555033542.db2.gz PFBMREZESMNUGS-SNRMKQJTSA-N 1 0 369.513 2.277 20 30 FEEDRO Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N(C)C3CC[NH+](C)CC3)C2)n1 ZINC000363300284 555074037 /nfs/dbraw/zinc/07/40/37/555074037.db2.gz ZMCXWRGYSKUXAO-QGZVFWFLSA-N 1 0 355.486 2.031 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)[C@@H]1CCC(=O)N(Cc2ccccc2)C1 ZINC000363355037 555084767 /nfs/dbraw/zinc/08/47/67/555084767.db2.gz DCSDHAMCCVQJJX-LJQANCHMSA-N 1 0 370.497 2.119 20 30 FEEDRO N#CCOc1ccccc1C(=O)NC1CC[NH+](CCc2ccncc2)CC1 ZINC000363369880 555087539 /nfs/dbraw/zinc/08/75/39/555087539.db2.gz WCBMLIKWRORUAX-UHFFFAOYSA-N 1 0 364.449 2.421 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)[C@H]2COc3c(cccc3OCC)C2)CC1 ZINC000363418888 555100981 /nfs/dbraw/zinc/10/09/81/555100981.db2.gz RSKUQECRMVFYJZ-QGZVFWFLSA-N 1 0 356.466 2.240 20 30 FEEDRO CCN(CCC#N)C(=O)C[NH+]1CCC(C(=O)N(C)c2ccccc2)CC1 ZINC000363441821 555106346 /nfs/dbraw/zinc/10/63/46/555106346.db2.gz NBSZHBKKBGCURO-UHFFFAOYSA-N 1 0 356.470 2.124 20 30 FEEDRO N#Cc1ccccc1NC(=O)CC[N@@H+]1CCCC[C@@H]1CN1CCCC1=O ZINC000363524933 555128012 /nfs/dbraw/zinc/12/80/12/555128012.db2.gz JGZKORXTNPEBRB-QGZVFWFLSA-N 1 0 354.454 2.364 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1cnc2c(cnn2C)c1O)C(C)C ZINC000512109279 561892571 /nfs/dbraw/zinc/89/25/71/561892571.db2.gz IVNDSOLDKUWRKF-MRXNPFEDSA-N 1 0 357.458 2.102 20 30 FEEDRO CCC[N@@H+]1CC[C@@H](CNC(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)C1 ZINC000363697021 555166368 /nfs/dbraw/zinc/16/63/68/555166368.db2.gz BUPKUQYWZVZFPV-HNNXBMFYSA-N 1 0 370.432 2.736 20 30 FEEDRO C[C@H]1C[C@@H](N(C)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CC[N@@H+]1C ZINC000363716436 555170795 /nfs/dbraw/zinc/17/07/95/555170795.db2.gz RPILFCVJTAAFNF-ZFWWWQNUSA-N 1 0 370.432 2.829 20 30 FEEDRO C[N@H+](CCC(=O)Nc1sccc1C#N)C1CCN(c2cccnn2)CC1 ZINC000363916377 555213426 /nfs/dbraw/zinc/21/34/26/555213426.db2.gz BSCDSLULPTUVIW-UHFFFAOYSA-N 1 0 370.482 2.339 20 30 FEEDRO CN1CC[NH+](CCC2CCN(C(=O)c3cccc(F)c3C#N)CC2)CC1 ZINC000364459313 555317847 /nfs/dbraw/zinc/31/78/47/555317847.db2.gz AEPPQKSETLIUKA-UHFFFAOYSA-N 1 0 358.461 2.187 20 30 FEEDRO C[C@H]([NH2+][C@@H]1CCCN(c2ccccc2C#N)C1)C1CCS(=O)(=O)CC1 ZINC000364467095 555319048 /nfs/dbraw/zinc/31/90/48/555319048.db2.gz NFTOMXKTUGSMNJ-MAUKXSAKSA-N 1 0 361.511 2.330 20 30 FEEDRO C[NH+](C)C1(CNC(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)CCCC1 ZINC000512677134 561912170 /nfs/dbraw/zinc/91/21/70/561912170.db2.gz IAKROKVLXSNSTI-LJQANCHMSA-N 1 0 369.513 2.280 20 30 FEEDRO CN(C1CCN(c2cc[nH+]cc2)CC1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000365120122 555490076 /nfs/dbraw/zinc/49/00/76/555490076.db2.gz IZNNIPLTYBCOHG-UHFFFAOYSA-N 1 0 356.451 2.243 20 30 FEEDRO CN(CCC#N)C(=O)CC[N@@H+]1CC[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C1 ZINC000365222031 555515161 /nfs/dbraw/zinc/51/51/61/555515161.db2.gz JQICTYHTJAYSKC-JKSUJKDBSA-N 1 0 364.490 2.080 20 30 FEEDRO C[C@@H](Oc1ccccc1C#N)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC000365357296 555552439 /nfs/dbraw/zinc/55/24/39/555552439.db2.gz KLVXEBKRHTULDK-JKSUJKDBSA-N 1 0 357.454 2.037 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@@]2(N(C)C)CCOc3ccccc32)CC1 ZINC000365529051 555600088 /nfs/dbraw/zinc/60/00/88/555600088.db2.gz SUCLJXLHUJRRRH-OAQYLSRUSA-N 1 0 357.498 2.383 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)CCN2CCC([NH2+]C3CCCC3)CC2)cc1 ZINC000365845205 555681722 /nfs/dbraw/zinc/68/17/22/555681722.db2.gz VOWNTGDNWBEYRN-UHFFFAOYSA-N 1 0 361.511 2.329 20 30 FEEDRO CCOC(=O)CCCCC[N@@H+]1C[C@@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000513659954 561946252 /nfs/dbraw/zinc/94/62/52/561946252.db2.gz IKYYROWTLMWCIR-QRWLVFNGSA-N 1 0 355.438 2.455 20 30 FEEDRO N#Cc1ccccc1N1CCN(C(=O)NC2CC([NH+]3CCCCC3)C2)CC1 ZINC000366264252 555796162 /nfs/dbraw/zinc/79/61/62/555796162.db2.gz DHLRMSZUFGNYME-UHFFFAOYSA-N 1 0 367.497 2.407 20 30 FEEDRO N#Cc1ccsc1NC(=O)CC[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000366427515 555840605 /nfs/dbraw/zinc/84/06/05/555840605.db2.gz CNWRDSZPYRKEPS-OAHLLOKOSA-N 1 0 367.434 2.368 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N[C@H]2CC[C@@H](C(=O)N3CCCCC3)C2)CC1 ZINC000366723617 555917978 /nfs/dbraw/zinc/91/79/78/555917978.db2.gz MEELKEIMCWDHHB-AEFFLSMTSA-N 1 0 362.518 2.117 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)CCNC2CC[NH+](C3CCCC3)CC2)cc1 ZINC000514599972 561969004 /nfs/dbraw/zinc/96/90/04/561969004.db2.gz SMUOWRWSWNMXFU-UHFFFAOYSA-N 1 0 361.511 2.329 20 30 FEEDRO C=CCc1ccccc1OC[C@@H](O)C[NH2+]C[C@@]1(N(C)C)CCSC1 ZINC000514668997 561973091 /nfs/dbraw/zinc/97/30/91/561973091.db2.gz SQSKSQCQGAMPIL-HKUYNNGSSA-N 1 0 350.528 2.182 20 30 FEEDRO CN(CC1CCN(c2cc[nH+]cc2)CC1)S(=O)(=O)c1ccc(C#N)o1 ZINC000367776550 556136174 /nfs/dbraw/zinc/13/61/74/556136174.db2.gz NNSIAXQCKBTXBR-UHFFFAOYSA-N 1 0 360.439 2.083 20 30 FEEDRO C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000367851575 556154758 /nfs/dbraw/zinc/15/47/58/556154758.db2.gz AXODCLSYKJGIQZ-CABCVRRESA-N 1 0 370.453 2.049 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@H](F)C2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000368143175 556228977 /nfs/dbraw/zinc/22/89/77/556228977.db2.gz PWEXPUDLHPUACW-MRXNPFEDSA-N 1 0 369.481 2.348 20 30 FEEDRO N#Cc1ccc(C2(C(=O)NC[C@H]3CCC[C@H]3[NH+]3CCOCC3)CC2)cc1 ZINC000368723772 556398330 /nfs/dbraw/zinc/39/83/30/556398330.db2.gz XFMITFKPTZQTMW-IEBWSBKVSA-N 1 0 353.466 2.207 20 30 FEEDRO N#CCCN(CCC#N)C(=O)C[N@H+]1CC[C@H](Cc2ccc(F)c(F)c2)C1 ZINC000368822729 556423155 /nfs/dbraw/zinc/42/31/55/556423155.db2.gz GAOFPRRMTBYYKG-MRXNPFEDSA-N 1 0 360.408 2.485 20 30 FEEDRO Cc1noc(C)c1CO[C@H]1CC[N@H+](C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000368853072 556429977 /nfs/dbraw/zinc/42/99/77/556429977.db2.gz ICDKJLXGAUAJGA-HKUYNNGSSA-N 1 0 371.437 2.194 20 30 FEEDRO N#Cc1ccccc1N1CCN(C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000368884089 556438638 /nfs/dbraw/zinc/43/86/38/556438638.db2.gz NYZDTHWUPSVLOY-ZWKOTPCHSA-N 1 0 353.470 2.017 20 30 FEEDRO CN(C(=O)COc1ccc(C#N)cc1)C1CCN(c2cc[nH+]cc2)CC1 ZINC000368932479 556451932 /nfs/dbraw/zinc/45/19/32/556451932.db2.gz RKERILHOVCEUFP-UHFFFAOYSA-N 1 0 350.422 2.459 20 30 FEEDRO N#Cc1ccccc1N1CCC[C@H](NC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000369136287 556513073 /nfs/dbraw/zinc/51/30/73/556513073.db2.gz CBKGSHGHZCAXTR-RBUKOAKNSA-N 1 0 367.497 2.407 20 30 FEEDRO N#Cc1ccc(N2CCN(CCNC(=O)c3ccccc3F)CC2)c(F)c1 ZINC000515931832 562025984 /nfs/dbraw/zinc/02/59/84/562025984.db2.gz YDMUKJHKNCPDIL-UHFFFAOYSA-N 1 0 370.403 2.388 20 30 FEEDRO CCOc1ccc(C#N)cc1NC(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000369404429 556592916 /nfs/dbraw/zinc/59/29/16/556592916.db2.gz ZZQORCYDIGDHMQ-IRXDYDNUSA-N 1 0 358.442 2.020 20 30 FEEDRO C=CCC[C@H](CC)[NH2+]C[C@H]1CCn2ncc(C(=O)N3CCN(C)CC3)c2C1 ZINC000369515484 556617325 /nfs/dbraw/zinc/61/73/25/556617325.db2.gz JPGWFMWGOHJXCJ-ROUUACIJSA-N 1 0 373.545 2.168 20 30 FEEDRO CC(C)(C#N)c1ccc(C(=O)N2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)cc1 ZINC000369532803 556623048 /nfs/dbraw/zinc/62/30/48/556623048.db2.gz QFMNSBDSMZBFQA-SFHVURJKSA-N 1 0 368.481 2.042 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)[C@H](c2ccccc2)N2CCCCC2=O)CC1 ZINC000369590257 556640340 /nfs/dbraw/zinc/64/03/40/556640340.db2.gz CZTPOTQOJPPXOQ-NRFANRHFSA-N 1 0 367.493 2.344 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)CCc2nc(-c3ccsc3)no2)CC1 ZINC000369592046 556641120 /nfs/dbraw/zinc/64/11/20/556641120.db2.gz OJSAHQBNLKUVGK-UHFFFAOYSA-N 1 0 358.467 2.335 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)[C@@H]2CCC(=O)N(C)[C@H]2c2cccs2)CC1 ZINC000369755733 556686224 /nfs/dbraw/zinc/68/62/24/556686224.db2.gz ASFZOAQPFVPADF-VQIMIIECSA-N 1 0 373.522 2.262 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N(C)C[C@@H]2CCCN2c2cccnn2)CC1 ZINC000369864568 556715978 /nfs/dbraw/zinc/71/59/78/556715978.db2.gz WAFZZPPZGHSUJB-SFHVURJKSA-N 1 0 372.517 2.127 20 30 FEEDRO CCC[NH+]1CCN(C(=O)[C@H]2CCCN(c3nc(C)ccc3C#N)C2)CC1 ZINC000369934094 556735101 /nfs/dbraw/zinc/73/51/01/556735101.db2.gz BPYXOALUIGJOJU-SFHVURJKSA-N 1 0 355.486 2.032 20 30 FEEDRO CC(C)N1CC[NH+](C2CCN(Cc3cnc4ccc(C#N)cn34)CC2)CC1 ZINC000370342427 556845224 /nfs/dbraw/zinc/84/52/24/556845224.db2.gz VBJOHONANXEQIX-UHFFFAOYSA-N 1 0 366.513 2.196 20 30 FEEDRO CCc1nc(CN2C[C@H]3CN(Cc4cc(F)ccc4C#N)C[C@@H]3C2)no1 ZINC000370413645 556865856 /nfs/dbraw/zinc/86/58/56/556865856.db2.gz GZMALAOQDDBENC-HZPDHXFCSA-N 1 0 355.417 2.207 20 30 FEEDRO N#Cc1ccc(N2CCC[C@H]([N@H+]3CCCC[C@@H]3[C@@H]3CNC(=O)C3)C2=O)cc1 ZINC000370500031 556892079 /nfs/dbraw/zinc/89/20/79/556892079.db2.gz OSLGEHCLLHFWTF-UHOSZYNNSA-N 1 0 366.465 2.044 20 30 FEEDRO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NCCCC[NH+]1CCOCC1 ZINC000517099413 562075805 /nfs/dbraw/zinc/07/58/05/562075805.db2.gz QQAXNDRGTNHTDF-LJQANCHMSA-N 1 0 359.470 2.190 20 30 FEEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000371228719 557112978 /nfs/dbraw/zinc/11/29/78/557112978.db2.gz HRZHPFAUQQIFFM-QAPCUYQASA-N 1 0 356.470 2.199 20 30 FEEDRO C#CCNC(=O)[C@H](C)[N@H+](C)CC1CCN(C(=O)Nc2ccc(F)cc2)CC1 ZINC000371250080 557119465 /nfs/dbraw/zinc/11/94/65/557119465.db2.gz RXICUJVSNNIARW-HNNXBMFYSA-N 1 0 374.460 2.139 20 30 FEEDRO N#Cc1cccc([C@H]2CN(C(=O)NC3CC[NH+](C4CC4)CC3)CCO2)c1 ZINC000371345599 557155015 /nfs/dbraw/zinc/15/50/15/557155015.db2.gz RJWQHTNPVUHPNA-LJQANCHMSA-N 1 0 354.454 2.268 20 30 FEEDRO CC1(C[NH+]2CCOCC2)CCN(C(=O)CCc2ccc(C#N)cc2)CC1 ZINC000371363327 557161899 /nfs/dbraw/zinc/16/18/99/557161899.db2.gz CZASNSOBXDGXTM-UHFFFAOYSA-N 1 0 355.482 2.452 20 30 FEEDRO Cc1nn(C)c(C)c1CC(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000371543046 557216208 /nfs/dbraw/zinc/21/62/08/557216208.db2.gz MUZVRFCPZJKYRN-UHFFFAOYSA-N 1 0 365.481 2.254 20 30 FEEDRO CS(=O)(=O)[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCCN(c2ccccc2C#N)C1 ZINC000371552897 557219515 /nfs/dbraw/zinc/21/95/15/557219515.db2.gz KBSYUBDUARDFIO-ZHALLVOQSA-N 1 0 361.511 2.472 20 30 FEEDRO CC(C)N(CC[NH+](C)C)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 ZINC000371706800 557270325 /nfs/dbraw/zinc/27/03/25/557270325.db2.gz LDJSLAVXAHIRGI-UHFFFAOYSA-N 1 0 358.421 2.687 20 30 FEEDRO CCCC[C@H](ON=C(C)C)C(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000371995048 557350838 /nfs/dbraw/zinc/35/08/38/557350838.db2.gz WASYRFYRRPLHJQ-OTWHNJEPSA-N 1 0 366.550 2.442 20 30 FEEDRO C[C@@H]1CN(C(=O)Nc2ccc(F)c(C#N)c2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000372353635 557448282 /nfs/dbraw/zinc/44/82/82/557448282.db2.gz AYQNEBSMZQUARZ-RDTXWAMCSA-N 1 0 359.449 2.187 20 30 FEEDRO Cc1cc(NC(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)nn1-c1cccc(C#N)c1 ZINC000372373120 557453236 /nfs/dbraw/zinc/45/32/36/557453236.db2.gz BLXBOIHOKCYKAW-MAUKXSAKSA-N 1 0 364.453 2.753 20 30 FEEDRO C#CCCOc1ccc(C[N@H+]2CCCN(CC(=O)NC(C)C)CC2)cc1 ZINC000372391975 557458353 /nfs/dbraw/zinc/45/83/53/557458353.db2.gz RCWAFRPAPXBFIX-UHFFFAOYSA-N 1 0 357.498 2.121 20 30 FEEDRO CN1CCC[C@@]2(CC[N@H+](CC(=O)Nc3ccc(C#N)c(Cl)c3)C2)C1=O ZINC000372504055 557488147 /nfs/dbraw/zinc/48/81/47/557488147.db2.gz KFLNYODLVCPWJB-SFHVURJKSA-N 1 0 360.845 2.094 20 30 FEEDRO C=CCCCCCNC(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000519556024 562134747 /nfs/dbraw/zinc/13/47/47/562134747.db2.gz PKKBAEXZFLHUIU-IRXDYDNUSA-N 1 0 350.507 2.023 20 30 FEEDRO N#Cc1ccc([C@@H](O)C[N@@H+]2CCC[C@H](C(=O)Nc3nccs3)C2)cc1 ZINC000372797585 557564379 /nfs/dbraw/zinc/56/43/79/557564379.db2.gz BGAKHPFHJOSHBY-HOTGVXAUSA-N 1 0 356.451 2.399 20 30 FEEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)N[C@H]3CCO[C@@H]3C3CC3)CC2)cc1 ZINC000372858914 557577121 /nfs/dbraw/zinc/57/71/21/557577121.db2.gz SPKOMFKUWDJZKY-VQTJNVASSA-N 1 0 368.481 2.343 20 30 FEEDRO C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1NC(=O)Cc1cccc(OCC#N)c1 ZINC000372863303 557577921 /nfs/dbraw/zinc/57/79/21/557577921.db2.gz MNYJYVXIFRXMDB-NSISKUIASA-N 1 0 371.481 2.137 20 30 FEEDRO Cc1ccc(C[C@@H](CO)[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)cc1C ZINC000519820116 562145391 /nfs/dbraw/zinc/14/53/91/562145391.db2.gz DBNHBKVVEMGBAO-IBGZPJMESA-N 1 0 372.490 2.142 20 30 FEEDRO N#CCCN(C(=O)C[NH2+][C@@H]1CCCC[C@@H]1N1CCOCC1)c1ccccc1 ZINC000373119555 557632676 /nfs/dbraw/zinc/63/26/76/557632676.db2.gz ZKBJKHWWPPRGRV-UXHICEINSA-N 1 0 370.497 2.166 20 30 FEEDRO C=C(C)[C@H]1OCC[C@H]1C(=O)N(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000373254144 557659264 /nfs/dbraw/zinc/65/92/64/557659264.db2.gz GQMDFFCWLIYZRY-SBHAEUEKSA-N 1 0 358.482 2.063 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N2C[C@H](CC)O[C@@]3(CCCOC3)C2)CC1 ZINC000373492469 557703949 /nfs/dbraw/zinc/70/39/49/557703949.db2.gz DQMLDUDEPKHXBX-ICSRJNTNSA-N 1 0 365.518 2.397 20 30 FEEDRO N#Cc1ccc(OC2CN(C(=O)NC3CC([NH+]4CCCCC4)C3)C2)cc1 ZINC000373498036 557705154 /nfs/dbraw/zinc/70/51/54/557705154.db2.gz NVFSAMISVVIKMR-UHFFFAOYSA-N 1 0 354.454 2.348 20 30 FEEDRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)Nc2ccccc2CC#N)CC1=O ZINC000520426321 562156366 /nfs/dbraw/zinc/15/63/66/562156366.db2.gz FBUFFUUZSMWLNE-IAGOWNOFSA-N 1 0 354.454 2.024 20 30 FEEDRO C[C@H]1CCCC[N@@H+]1CCNC(=O)[C@H]1CCC(=O)N1Cc1cccc(C#N)c1 ZINC000373700196 557741406 /nfs/dbraw/zinc/74/14/06/557741406.db2.gz LSGCVXREKOXSAT-QFBILLFUSA-N 1 0 368.481 2.040 20 30 FEEDRO C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1 ZINC000373805262 557762946 /nfs/dbraw/zinc/76/29/46/557762946.db2.gz BZXYHVLUAMSCEP-YYFZDKIDSA-N 1 0 371.485 2.136 20 30 FEEDRO CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000520595362 562159862 /nfs/dbraw/zinc/15/98/62/562159862.db2.gz WYLPVDHSWDFHHA-GPMSIDNRSA-N 1 0 350.507 2.058 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccc(CS(C)(=O)=O)cc2)CC1 ZINC000520742973 562162608 /nfs/dbraw/zinc/16/26/08/562162608.db2.gz IJAIVHBZBPYBBX-UHFFFAOYSA-N 1 0 351.472 2.003 20 30 FEEDRO C[C@H](C(=O)N1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O)[NH+]1CCCCCC1 ZINC000374385324 557876419 /nfs/dbraw/zinc/87/64/19/557876419.db2.gz KWPYUHQBKZIUNZ-WHSLLNHNSA-N 1 0 366.465 2.123 20 30 FEEDRO CC(=O)Nc1c[nH]nc1[C@@H]1CCC[N@H+](C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000374827941 557937303 /nfs/dbraw/zinc/93/73/03/557937303.db2.gz ORMWYKJEKNPXTI-AEFFLSMTSA-N 1 0 353.426 2.153 20 30 FEEDRO C[NH+](C)Cc1ccc(C(=O)N2CCC(Nc3ccc(C#N)cn3)CC2)cc1 ZINC000374993211 557960913 /nfs/dbraw/zinc/96/09/13/557960913.db2.gz CSIFFPCRGMRTSE-UHFFFAOYSA-N 1 0 363.465 2.732 20 30 FEEDRO C[N@@H+]1CC[C@H]2CCN(CCC(=O)Nc3sc4c(c3C#N)CCC4)C[C@@H]21 ZINC000375021471 557965599 /nfs/dbraw/zinc/96/55/99/557965599.db2.gz OUCBTEGHWWPHKJ-BBRMVZONSA-N 1 0 358.511 2.463 20 30 FEEDRO C=CCCCCCN(C)C(=O)NC1CCN(C(=O)CCC[NH2+]C)CC1 ZINC000521463703 562177024 /nfs/dbraw/zinc/17/70/24/562177024.db2.gz ALPLEJQGJPAHNF-UHFFFAOYSA-N 1 0 352.523 2.365 20 30 FEEDRO N#Cc1ccc(N2CCC[C@@H]([N@@H+]3CCCC[C@@H]3Cn3ccnn3)C2=O)cc1 ZINC000375692295 558068419 /nfs/dbraw/zinc/06/84/19/558068419.db2.gz OTLZIJKXTPEAEI-RTBURBONSA-N 1 0 364.453 2.200 20 30 FEEDRO C=CC[C@@H](C(=O)N1CCN(CC[N@@H+]2CCCOCC2)CC1)c1ccccc1 ZINC000376102462 558127455 /nfs/dbraw/zinc/12/74/55/558127455.db2.gz LBVRNNHOBRRTDT-OAQYLSRUSA-N 1 0 371.525 2.213 20 30 FEEDRO C=CC[C@H](C(=O)N1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1)c1ccccc1 ZINC000376906458 558237194 /nfs/dbraw/zinc/23/71/94/558237194.db2.gz FMSKFNZJIINZIY-RBUKOAKNSA-N 1 0 355.482 2.287 20 30 FEEDRO C[C@H](NC(=O)N1CCN(C2CC2)[C@@H](C#N)C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000377266549 558302213 /nfs/dbraw/zinc/30/22/13/558302213.db2.gz QVUCKTHXBFVBAH-SNRMKQJTSA-N 1 0 355.486 2.060 20 30 FEEDRO C[C@H](NC(=O)N1CCN(C2CC2)[C@@H](C#N)C1)[C@H](c1ccccc1)[NH+](C)C ZINC000377266550 558302254 /nfs/dbraw/zinc/30/22/54/558302254.db2.gz QVUCKTHXBFVBAH-ZYSHUDEJSA-N 1 0 355.486 2.060 20 30 FEEDRO CC(C)c1nc(CN2CCC[N@H+](C[C@@H](O)c3ccc(C#N)cc3)CC2)no1 ZINC000378143908 558490322 /nfs/dbraw/zinc/49/03/22/558490322.db2.gz PYDBAURVQWHIGA-GOSISDBHSA-N 1 0 369.469 2.306 20 30 FEEDRO Cn1cc([C@H](O)C[C@@H]2CCC[N@@H+]2CCC(=O)Nc2ccccc2C#N)cn1 ZINC000378357591 558537735 /nfs/dbraw/zinc/53/77/35/558537735.db2.gz CKFFBKHZPGWEER-PKOBYXMFSA-N 1 0 367.453 2.208 20 30 FEEDRO CCCC(=O)NC[C@@H]1CCC[N@@H+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000523607392 562215849 /nfs/dbraw/zinc/21/58/49/562215849.db2.gz XIJMOINCYXXOBE-JTDSTZFVSA-N 1 0 350.507 2.058 20 30 FEEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+][C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000382097139 558604337 /nfs/dbraw/zinc/60/43/37/558604337.db2.gz IKIIAXLECLQTEJ-LJQANCHMSA-N 1 0 369.490 2.196 20 30 FEEDRO C[C@H]1CCC[C@@](C[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)(N(C)C)C1 ZINC000392795324 558619248 /nfs/dbraw/zinc/61/92/48/558619248.db2.gz QPVQEMJPHLALDH-QFBILLFUSA-N 1 0 363.527 2.432 20 30 FEEDRO N#CC1(CCC[N@@H+](CC(=O)N2CCCC2)C[C@H]2CCCO2)CCOCC1 ZINC000410391539 558754380 /nfs/dbraw/zinc/75/43/80/558754380.db2.gz MBTWUGITKASGEK-GOSISDBHSA-N 1 0 363.502 2.190 20 30 FEEDRO CCN(CCC#N)S(=O)(=O)N[C@H](C)[C@H](c1ccccc1C)[NH+](C)C ZINC000410405018 558755350 /nfs/dbraw/zinc/75/53/50/558755350.db2.gz CFIMCJYFGXRNNX-NVXWUHKLSA-N 1 0 352.504 2.056 20 30 FEEDRO Cn1nc(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)cc1C1CC1 ZINC000525135290 562241158 /nfs/dbraw/zinc/24/11/58/562241158.db2.gz WRDQZGBZIMENGM-UHFFFAOYSA-N 1 0 351.454 2.373 20 30 FEEDRO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)C[C@@H](O)C(F)(F)F ZINC000411435753 558894844 /nfs/dbraw/zinc/89/48/44/558894844.db2.gz DUBURUYVRJFLEE-GFCCVEGCSA-N 1 0 361.389 2.292 20 30 FEEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000411663598 558938553 /nfs/dbraw/zinc/93/85/53/558938553.db2.gz DBQPLUUEGLAYQF-HNNXBMFYSA-N 1 0 372.469 2.132 20 30 FEEDRO N#Cc1ccc(OC2CCN(C(=O)N[C@@H]3CC[N@@H+](C4CC4)C3)CC2)cc1 ZINC000525990238 562262483 /nfs/dbraw/zinc/26/24/83/562262483.db2.gz WKJYJMWSACZLGF-MRXNPFEDSA-N 1 0 354.454 2.348 20 30 FEEDRO N#Cc1c(NC(=O)CC[N@H+]2CC[C@](O)(C(F)F)C2)sc2c1CCC2 ZINC000411801676 558966173 /nfs/dbraw/zinc/96/61/73/558966173.db2.gz NCRFNAPIMNDJNQ-MRXNPFEDSA-N 1 0 355.410 2.139 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1cnc2c(Cl)cccc2c1O ZINC000412177573 559018646 /nfs/dbraw/zinc/01/86/46/559018646.db2.gz RJXSRWSXKZUEAB-UHFFFAOYSA-N 1 0 360.845 2.489 20 30 FEEDRO C[C@H](C(=O)NC1(C#N)CCC1)[NH+]1CCC2(C[C@H]2C(=O)N2CCCCC2)CC1 ZINC000526057924 562265490 /nfs/dbraw/zinc/26/54/90/562265490.db2.gz WLJXFBMQKDZXJI-SJORKVTESA-N 1 0 372.513 2.052 20 30 FEEDRO Cc1cc(N2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)c(C#N)cc1[N+](=O)[O-] ZINC000413217090 559089319 /nfs/dbraw/zinc/08/93/19/559089319.db2.gz XGQOTINGUVNBIS-NVXWUHKLSA-N 1 0 357.458 2.237 20 30 FEEDRO C=C(C)COc1cc(CN2CC[N@H+](C)C[C@H](C(=O)OC)C2)ccc1OC ZINC000414489214 559168013 /nfs/dbraw/zinc/16/80/13/559168013.db2.gz MNYXFUUZSPXOHZ-KRWDZBQOSA-N 1 0 362.470 2.187 20 30 FEEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(C)C[C@@H](O)C[NH3+])cc1 ZINC000415078014 559204122 /nfs/dbraw/zinc/20/41/22/559204122.db2.gz GEAJUDSRSCCQNN-HNNXBMFYSA-N 1 0 370.409 2.142 20 30 FEEDRO CO[C@H]1CCN(C(=O)Nc2cc(C#N)ccc2OC(F)F)[C@H](C[NH3+])C1 ZINC000415121162 559206386 /nfs/dbraw/zinc/20/63/86/559206386.db2.gz HMJWVKXXQRRTOQ-RYUDHWBXSA-N 1 0 354.357 2.130 20 30 FEEDRO N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N3CCC[C@@H]([NH3+])C3)cc2)cc1 ZINC000415261088 559219420 /nfs/dbraw/zinc/21/94/20/559219420.db2.gz CSOQNBZPSNEEDQ-OAHLLOKOSA-N 1 0 364.405 2.239 20 30 FEEDRO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)Nc2ccccc2SC[C@@H](C)C#N)C1 ZINC000415287487 559221244 /nfs/dbraw/zinc/22/12/44/559221244.db2.gz WNAJUDPOHIQWDK-GJZGRUSLSA-N 1 0 374.510 2.335 20 30 FEEDRO N#Cc1cccc(Oc2ccc(NC(=O)C(=O)NC[C@@H]3CCC[NH2+]3)cc2)c1 ZINC000415374429 559228537 /nfs/dbraw/zinc/22/85/37/559228537.db2.gz IRYXDSAIHISUPX-INIZCTEOSA-N 1 0 364.405 2.157 20 30 FEEDRO N#Cc1cc(NC(=O)C(=O)NC[C@@H]2CCC[NH2+]2)ccc1Oc1ccccc1 ZINC000415373998 559228647 /nfs/dbraw/zinc/22/86/47/559228647.db2.gz IGAGJPJGIGHUET-INIZCTEOSA-N 1 0 364.405 2.157 20 30 FEEDRO CCCN(C(=O)C(=O)Nc1scc(C(C)(C)C)c1C#N)[C@@H]1CC[NH2+]C1 ZINC000415389474 559230303 /nfs/dbraw/zinc/23/03/03/559230303.db2.gz JBAUVHIEGXSYPX-GFCCVEGCSA-N 1 0 362.499 2.456 20 30 FEEDRO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000415428044 559235493 /nfs/dbraw/zinc/23/54/93/559235493.db2.gz NZVSUZFCHTXEID-KGLIPLIRSA-N 1 0 362.499 2.366 20 30 FEEDRO N#CCCCOc1cccc(NC(=O)C(=O)N[C@H](C[NH3+])C2CCCCC2)c1 ZINC000415432024 559236125 /nfs/dbraw/zinc/23/61/25/559236125.db2.gz VJKJVPFQPJWOLN-GOSISDBHSA-N 1 0 372.469 2.331 20 30 FEEDRO N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)NC2(C[NH3+])CCCC2)n1 ZINC000415458791 559239399 /nfs/dbraw/zinc/23/93/99/559239399.db2.gz LZHJIHKCTPNIOX-UHFFFAOYSA-N 1 0 358.833 2.790 20 30 FEEDRO C[C@@]1(C[NH3+])CCN(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)C1 ZINC000415459771 559239469 /nfs/dbraw/zinc/23/94/69/559239469.db2.gz MYPOVGKPHFWWQQ-KRWDZBQOSA-N 1 0 358.833 2.600 20 30 FEEDRO CN(C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1)C1CC[NH2+]CC1 ZINC000415467120 559240353 /nfs/dbraw/zinc/24/03/53/559240353.db2.gz VAJIGELPGWTDPE-UHFFFAOYSA-N 1 0 358.833 2.613 20 30 FEEDRO N#Cc1ccc(Oc2cccc(NC(=O)C(=O)NC[C@H]([NH3+])C3CC3)c2)cc1 ZINC000415542847 559247918 /nfs/dbraw/zinc/24/79/18/559247918.db2.gz VYKUSQFNYDEVBG-SFHVURJKSA-N 1 0 364.405 2.143 20 30 FEEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000415591180 559253335 /nfs/dbraw/zinc/25/33/35/559253335.db2.gz HRLSLBPRPMTQNH-LIRRHRJNSA-N 1 0 372.494 2.089 20 30 FEEDRO O=C(Nc1ccccc1C#Cc1ccccc1)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000415601331 559254257 /nfs/dbraw/zinc/25/42/57/559254257.db2.gz KURMCOFDKSODGS-QHCPKHFHSA-N 1 0 373.456 2.237 20 30 FEEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000415612103 559255093 /nfs/dbraw/zinc/25/50/93/559255093.db2.gz ZILZDQHBSCIMEQ-LIRRHRJNSA-N 1 0 372.494 2.231 20 30 FEEDRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)Nc1cccc(C#Cc2ccccc2)c1 ZINC000415615176 559255420 /nfs/dbraw/zinc/25/54/20/559255420.db2.gz OHSNCHRKVVTJOR-OXQOHEQNSA-N 1 0 361.445 2.139 20 30 FEEDRO CC[NH2+][C@H](C)CNC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000415656573 559258919 /nfs/dbraw/zinc/25/89/19/559258919.db2.gz LKSNYGFHEYPCMU-CQSZACIVSA-N 1 0 366.421 2.403 20 30 FEEDRO CC(C)(C)c1csc(NC(=O)C(=O)N2CCC[C@@H](CC[NH3+])C2)c1C#N ZINC000415688801 559262189 /nfs/dbraw/zinc/26/21/89/559262189.db2.gz LOBJYKHQPZPAQP-LBPRGKRZSA-N 1 0 362.499 2.443 20 30 FEEDRO CCc1ccccc1[C@@H]([NH3+])CNC(=O)C(=O)Nc1cccc(C)c1C#N ZINC000415842991 559277633 /nfs/dbraw/zinc/27/76/33/559277633.db2.gz PRWKZYXYBQGDRS-KRWDZBQOSA-N 1 0 350.422 2.184 20 30 FEEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000415874187 559280575 /nfs/dbraw/zinc/28/05/75/559280575.db2.gz WFMZFXDPYRCSFX-KBPBESRZSA-N 1 0 360.483 2.135 20 30 FEEDRO N#CCCn1ccc(NC(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)n1 ZINC000415950153 559284356 /nfs/dbraw/zinc/28/43/56/559284356.db2.gz HFDASVCAUUBFKX-UHFFFAOYSA-N 1 0 352.320 2.918 20 30 FEEDRO C[C@H](NC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1)[C@H]1CCC[NH2+]C1 ZINC000417571069 559367161 /nfs/dbraw/zinc/36/71/61/559367161.db2.gz FBGBHDCQCHVNJN-XIRDDKMYSA-N 1 0 373.476 2.353 20 30 FEEDRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)C1 ZINC000417577223 559367429 /nfs/dbraw/zinc/36/74/29/559367429.db2.gz LOTMZBRLVRWYCD-USXIJHARSA-N 1 0 373.476 2.435 20 30 FEEDRO N#Cc1ccc(N2CCC[C@H](NC(=O)N[C@H]3CCCC[C@H]3C[NH3+])C2)c(F)c1 ZINC000417580681 559367652 /nfs/dbraw/zinc/36/76/52/559367652.db2.gz RKLMPZFJSNOCQO-BQFCYCMXSA-N 1 0 373.476 2.483 20 30 FEEDRO N#Cc1ccc(N2CCC[C@H](NC(=O)NCCC[C@H]3CCC[NH2+]3)C2)c(F)c1 ZINC000417581904 559367730 /nfs/dbraw/zinc/36/77/30/559367730.db2.gz UICQDHBQSIZCOX-SJORKVTESA-N 1 0 373.476 2.498 20 30 FEEDRO C=C(C)COCCNC(=O)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000417890744 559380752 /nfs/dbraw/zinc/38/07/52/559380752.db2.gz OUZXRJVBZZIYOG-PBHICJAKSA-N 1 0 353.413 2.302 20 30 FEEDRO C[C@H](CCCC[NH3+])NC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000417974100 559384468 /nfs/dbraw/zinc/38/44/68/559384468.db2.gz VHWZAAVQVAJTIP-ODIFPOPNSA-N 1 0 359.474 2.460 20 30 FEEDRO CN1CCN(c2ncc(C[NH2+][C@@H]3CCCc4cc(C#N)ccc43)cn2)CC1 ZINC000418145818 559391834 /nfs/dbraw/zinc/39/18/34/559391834.db2.gz OFNDNRYXUDWLNK-HXUWFJFHSA-N 1 0 362.481 2.267 20 30 FEEDRO COCC1(CNC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)CC[NH2+]CC1 ZINC000418627649 559408500 /nfs/dbraw/zinc/40/85/00/559408500.db2.gz BCLOKJCWQJOGBL-MOPGFXCFSA-N 1 0 370.497 2.484 20 30 FEEDRO N#Cc1ccc(N2CCN(C(=O)NC[C@H]3CC[C@H](C[NH3+])CC3)CC2)c(F)c1 ZINC000418672338 559410711 /nfs/dbraw/zinc/41/07/11/559410711.db2.gz UILZWOPGYSZMNY-WKILWMFISA-N 1 0 373.476 2.294 20 30 FEEDRO N#Cc1ccc(OC2CCN(C(=O)N[C@@H]3CC[C@H](C[NH3+])C3)CC2)c(F)c1 ZINC000418787114 559416004 /nfs/dbraw/zinc/41/60/04/559416004.db2.gz JMSZGRNAYFLGTO-DZGCQCFKSA-N 1 0 360.433 2.378 20 30 FEEDRO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1Cc1ccc(Br)cc1C#N ZINC000419347708 559438816 /nfs/dbraw/zinc/43/88/16/559438816.db2.gz XGSJUWFTDKKELB-STQMWFEESA-N 1 0 352.276 2.208 20 30 FEEDRO C=C(C)[C@H](NC(=O)C(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(F)c(F)c1 ZINC000419673412 559453071 /nfs/dbraw/zinc/45/30/71/559453071.db2.gz HHUWXBFSJSIPDE-CKQIIDDLSA-N 1 0 363.408 2.097 20 30 FEEDRO C=C(C)[C@@H](NC(=O)C(=O)N1CCC([C@H](C)[NH3+])CC1)c1ccc(F)c(F)c1 ZINC000419683870 559453944 /nfs/dbraw/zinc/45/39/44/559453944.db2.gz VPDVPITUCRUPJI-YVEFUNNKSA-N 1 0 365.424 2.284 20 30 FEEDRO C=CCC[C@@H]1NC(=O)N([C@@H]2CC[N@@H+](Cc3cc(OC)cc(OC)c3)C2)C1=O ZINC000419948645 559465968 /nfs/dbraw/zinc/46/59/68/559465968.db2.gz KKTZZBALKYZDKU-QAPCUYQASA-N 1 0 373.453 2.165 20 30 FEEDRO C=CCC[C@H]1NC(=O)N([C@@H]2CC[N@@H+](Cc3cc(OC)cc(OC)c3)C2)C1=O ZINC000419948638 559466027 /nfs/dbraw/zinc/46/60/27/559466027.db2.gz KKTZZBALKYZDKU-CRAIPNDOSA-N 1 0 373.453 2.165 20 30 FEEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000420144113 559474663 /nfs/dbraw/zinc/47/46/63/559474663.db2.gz MLDFUBGXINETAL-AAEUAGOBSA-N 1 0 355.891 2.030 20 30 FEEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000420144116 559474720 /nfs/dbraw/zinc/47/47/20/559474720.db2.gz MLDFUBGXINETAL-YPMHNXCESA-N 1 0 355.891 2.030 20 30 FEEDRO C=CCN(Cc1ccccc1F)C(=O)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000420172625 559475632 /nfs/dbraw/zinc/47/56/32/559475632.db2.gz VVKFKCRASCZPSL-KRWDZBQOSA-N 1 0 361.461 2.235 20 30 FEEDRO C[C@H]1CCN(S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)[C@@H](C[NH3+])C1 ZINC000420423784 559486967 /nfs/dbraw/zinc/48/69/67/559486967.db2.gz OYXKMFGTAQYEIL-CMPLNLGQSA-N 1 0 361.389 2.325 20 30 FEEDRO CCOC(=O)c1c(NC(=O)N(C)CC[NH+]2CCCC2)c(C#N)cn1CC ZINC000421165742 559528099 /nfs/dbraw/zinc/52/80/99/559528099.db2.gz NLCAHAFXSXUWJJ-UHFFFAOYSA-N 1 0 361.446 2.116 20 30 FEEDRO CC[NH+](CC)[C@@H](CNC(=O)C(=O)NCC(C)(C)CC#N)c1ccsc1 ZINC000421512044 559544095 /nfs/dbraw/zinc/54/40/95/559544095.db2.gz CYDQPIAKNNZODJ-HNNXBMFYSA-N 1 0 364.515 2.303 20 30 FEEDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 ZINC000421710878 559550386 /nfs/dbraw/zinc/55/03/86/559550386.db2.gz MTSPDYXYEPPZRP-GOEBONIOSA-N 1 0 374.872 2.117 20 30 FEEDRO C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)NC[C@H]1CC[N@@H+](CCC)C1 ZINC000422548031 559594328 /nfs/dbraw/zinc/59/43/28/559594328.db2.gz YIGZAQVEZPRFMO-RTBURBONSA-N 1 0 357.498 2.138 20 30 FEEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000423020442 559615376 /nfs/dbraw/zinc/61/53/76/559615376.db2.gz BLUVXDJTVLWECQ-QWHCGFSZSA-N 1 0 369.918 2.359 20 30 FEEDRO C=CCN(Cc1ccccc1)C(=O)C(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1 ZINC000423130063 559620317 /nfs/dbraw/zinc/62/03/17/559620317.db2.gz XZUUCGANCBORIT-LJQANCHMSA-N 1 0 369.509 2.438 20 30 FEEDRO C=CCN(Cc1ccccc1F)C(=O)C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000423194751 559622542 /nfs/dbraw/zinc/62/25/42/559622542.db2.gz YOWYYBWBINJBTO-KRWDZBQOSA-N 1 0 373.472 2.188 20 30 FEEDRO COc1cc(CNC(=O)[C@H]([NH3+])CCCC#N)ccc1OCC(F)(F)F ZINC000424088730 559654469 /nfs/dbraw/zinc/65/44/69/559654469.db2.gz HEAPPVJSMJVUCI-GFCCVEGCSA-N 1 0 359.348 2.274 20 30 FEEDRO COc1cc(Br)c(NC(=O)[C@@H]([NH3+])CCCC#N)cc1OC ZINC000424102555 559654877 /nfs/dbraw/zinc/65/48/77/559654877.db2.gz OYGOAXJQLMKBQI-JTQLQIEISA-N 1 0 356.220 2.426 20 30 FEEDRO CC(C)(C)C(=O)N1CCOc2ccc(NC(=O)[C@@H]([NH3+])CCCC#N)cc21 ZINC000424104699 559654923 /nfs/dbraw/zinc/65/49/23/559654923.db2.gz TYMUKTLMRRYZCH-AWEZNQCLSA-N 1 0 358.442 2.418 20 30 FEEDRO CCCS(=O)(=O)Nc1cc(NC(=O)[C@H]([NH3+])CCCC#N)c(F)cc1F ZINC000424112043 559655261 /nfs/dbraw/zinc/65/52/61/559655261.db2.gz ICLPVOLROSXIQD-GFCCVEGCSA-N 1 0 374.413 2.076 20 30 FEEDRO N#CCCC[C@@H]([NH3+])C(=O)N1CCO[C@H](c2cccc(Br)c2)C1 ZINC000424116629 559655353 /nfs/dbraw/zinc/65/53/53/559655353.db2.gz XNRATGOABXOHBM-CABCVRRESA-N 1 0 366.259 2.370 20 30 FEEDRO COC(=O)[C@@H](CNC(=O)[C@@H]([NH3+])CCCC#N)Cc1ccc2ccccc2c1 ZINC000424121932 559655489 /nfs/dbraw/zinc/65/54/89/559655489.db2.gz IQLRWRQEXUPHQR-MOPGFXCFSA-N 1 0 367.449 2.309 20 30 FEEDRO COc1cc(NC2CCN(C(=O)[C@@H]([NH3+])CCCC#N)CC2)cc(OC)c1 ZINC000424140931 559655871 /nfs/dbraw/zinc/65/58/71/559655871.db2.gz GAWDTOBINZSQFR-SFHVURJKSA-N 1 0 360.458 2.128 20 30 FEEDRO COc1cc(N[C@@H]2CCCN(C(=O)[C@@H]([NH3+])CCCC#N)C2)cc(OC)c1 ZINC000424165106 559656577 /nfs/dbraw/zinc/65/65/77/559656577.db2.gz DJQVGUYJOWANPO-KDOFPFPSSA-N 1 0 360.458 2.128 20 30 FEEDRO N#CCCC[C@@H]([NH3+])C(=O)N1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000424164994 559656635 /nfs/dbraw/zinc/65/66/35/559656635.db2.gz CXMPTWRHAHSTEG-JKSUJKDBSA-N 1 0 352.442 2.199 20 30 FEEDRO CN1CC[C@H](NC(=O)[C@@H]([NH3+])CCCC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000424178695 559656967 /nfs/dbraw/zinc/65/69/67/559656967.db2.gz XETFZSKUXOLPEK-JYJNAYRXSA-N 1 0 352.841 2.362 20 30 FEEDRO Cn1cc([C@@H]2CN(C(=O)N[C@H](CCCC#N)c3ccccc3)C[C@H]2[NH3+])cn1 ZINC000424474182 559666569 /nfs/dbraw/zinc/66/65/69/559666569.db2.gz IDLXBTPMVKWYQX-IPMKNSEASA-N 1 0 366.469 2.291 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)c2cnc(OC)c(Br)c2)CC1 ZINC000424644375 559672214 /nfs/dbraw/zinc/67/22/14/559672214.db2.gz HDULMBUSHCBUGT-UHFFFAOYSA-N 1 0 354.248 2.233 20 30 FEEDRO C=CCCn1cc(C(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H](C)C2)nn1 ZINC000424876139 559679069 /nfs/dbraw/zinc/67/90/69/559679069.db2.gz QCWMDIBSCRYKPP-QGZVFWFLSA-N 1 0 353.470 2.448 20 30 FEEDRO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000425389023 559699565 /nfs/dbraw/zinc/69/95/65/559699565.db2.gz TUJVVXUJLVGEBF-KKSFZXQISA-N 1 0 368.481 2.022 20 30 FEEDRO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N(C)[C@H](C)c2cccc(C#N)c2)C1 ZINC000425389423 559699614 /nfs/dbraw/zinc/69/96/14/559699614.db2.gz USCZDBZJGFKVEW-CRAIPNDOSA-N 1 0 356.470 2.020 20 30 FEEDRO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000425389831 559699690 /nfs/dbraw/zinc/69/96/90/559699690.db2.gz VGJYATHMWPZHHP-QFBILLFUSA-N 1 0 368.481 2.164 20 30 FEEDRO C[C@H](CNC(=O)N(C)[C@H](C)c1cccc(C#N)c1)C[NH+]1CCN(C)CC1 ZINC000425468431 559703866 /nfs/dbraw/zinc/70/38/66/559703866.db2.gz DOXNWYOZOAJBSE-IAGOWNOFSA-N 1 0 357.502 2.144 20 30 FEEDRO C=CCc1ccccc1OC[C@@H](O)CN1CC[NH+](C(C)(C)COC)CC1 ZINC000425515248 559707331 /nfs/dbraw/zinc/70/73/31/559707331.db2.gz QZEWMSWKBWLVPI-IBGZPJMESA-N 1 0 362.514 2.197 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC[C@H](n2ccnn2)C1)C(C)C ZINC000425659886 559713622 /nfs/dbraw/zinc/71/36/22/559713622.db2.gz WQPSJCICSQWQJB-ZWKOTPCHSA-N 1 0 360.506 2.323 20 30 FEEDRO C=CCn1cc(CNC(=O)N[C@@H](C)[C@@H](c2ccccc2C)[NH+](C)C)nn1 ZINC000425785003 559719499 /nfs/dbraw/zinc/71/94/99/559719499.db2.gz KWGAXCNHAXATEN-YJBOKZPZSA-N 1 0 356.474 2.263 20 30 FEEDRO N#C[C@H]1CC[C@@H](NC(=O)C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)C1 ZINC000425812271 559720769 /nfs/dbraw/zinc/72/07/69/559720769.db2.gz LEECUZFWLJLGJN-FUHWJXTLSA-N 1 0 354.454 2.072 20 30 FEEDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)N(C)[C@@H](C)c2cccc(C#N)c2)C1 ZINC000425886176 559723987 /nfs/dbraw/zinc/72/39/87/559723987.db2.gz PWMLZQNOXNQJJV-FUHWJXTLSA-N 1 0 370.497 2.314 20 30 FEEDRO C=C(C)CNC(=O)C(=O)Nc1cccc(NC(=O)CC[NH+]2CCCCC2)c1 ZINC000427097169 559747593 /nfs/dbraw/zinc/74/75/93/559747593.db2.gz PFJLMZOEGVJRJU-UHFFFAOYSA-N 1 0 372.469 2.132 20 30 FEEDRO CC[NH+](CC)C[C@H]1CCCC[C@H]1NS(=O)(=O)c1cccnc1C#N ZINC000428371293 559774004 /nfs/dbraw/zinc/77/40/04/559774004.db2.gz VOOWVJSBHLUPIZ-HUUCEWRRSA-N 1 0 350.488 2.132 20 30 FEEDRO COC(=O)[C@H]1CC[N@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)[C@H]1C(C)C ZINC000429396750 559797842 /nfs/dbraw/zinc/79/78/42/559797842.db2.gz GSQGZSIRACBZQT-KSZLIROESA-N 1 0 355.438 2.183 20 30 FEEDRO N#CCC1(CNC(=O)C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)CC1 ZINC000430375976 559818827 /nfs/dbraw/zinc/81/88/27/559818827.db2.gz KSBWKJCXAMBGSE-UHFFFAOYSA-N 1 0 354.454 2.073 20 30 FEEDRO Cc1cc(NC(=O)COc2ccc(C#N)cc2)n(C2CC[NH+](C)CC2)n1 ZINC000430504902 559821152 /nfs/dbraw/zinc/82/11/52/559821152.db2.gz YZSCMSQGKCKKGJ-UHFFFAOYSA-N 1 0 353.426 2.347 20 30 FEEDRO C[C@H]1C[NH+](CCCCNC(=O)c2ncc(C#N)cc2Cl)C[C@H](C)O1 ZINC000432196053 559853979 /nfs/dbraw/zinc/85/39/79/559853979.db2.gz MGGBWRICNMMHPR-STQMWFEESA-N 1 0 350.850 2.226 20 30 FEEDRO COC[C@](C)(C#N)NC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000435915365 559932282 /nfs/dbraw/zinc/93/22/82/559932282.db2.gz FVLWYEZERRQIMU-NRFANRHFSA-N 1 0 368.481 2.453 20 30 FEEDRO C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)NCCc1cccc(C#N)c1 ZINC000439456750 559994343 /nfs/dbraw/zinc/99/43/43/559994343.db2.gz ZPICZCQKBVMVSE-UHFFFAOYSA-N 1 0 365.437 2.083 20 30 FEEDRO CN(C(=O)C(=O)Nc1ccccc1SCCC#N)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000439595461 559997672 /nfs/dbraw/zinc/99/76/72/559997672.db2.gz LZHUWJXECKBHTK-HNNXBMFYSA-N 1 0 372.494 2.326 20 30 FEEDRO N#Cc1ccc(CS(=O)(=O)N2CCC([NH+]3CCCC3)CC2)c(F)c1 ZINC000440056606 560003993 /nfs/dbraw/zinc/00/39/93/560003993.db2.gz SYKUZCYCYRYZLE-UHFFFAOYSA-N 1 0 351.447 2.087 20 30 FEEDRO COc1cc(C[NH2+]C[C@@H]2C[C@H](F)CN2Cc2cnn(C)c2)ccc1C#N ZINC000440623013 560015039 /nfs/dbraw/zinc/01/50/39/560015039.db2.gz VMJHNVCJHHCGCF-ROUUACIJSA-N 1 0 357.433 2.003 20 30 FEEDRO CC#CCCNC(=O)C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000440716824 560017132 /nfs/dbraw/zinc/01/71/32/560017132.db2.gz NOKVFGJLMXCFDA-UHFFFAOYSA-N 1 0 357.454 2.019 20 30 FEEDRO CC(C)C[N@@H+](Cc1ccc(C#N)cc1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000441519835 560034819 /nfs/dbraw/zinc/03/48/19/560034819.db2.gz BNNDURHWWYEAOB-SFHVURJKSA-N 1 0 357.414 2.182 20 30 FEEDRO N#C[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2OCC(=O)NC[C@@H]2CCCO2)C1 ZINC000442774932 560057207 /nfs/dbraw/zinc/05/72/07/560057207.db2.gz BDTWMHNQDXJVPL-NXHRZFHOSA-N 1 0 357.454 2.142 20 30 FEEDRO CC(C)NC(=O)c1cnn2c1C[C@@H](C[NH2+]Cc1ccc(C#N)cc1F)CC2 ZINC000442998404 560065481 /nfs/dbraw/zinc/06/54/81/560065481.db2.gz JANPVMVEOGCTFK-HNNXBMFYSA-N 1 0 369.444 2.384 20 30 FEEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)C[C@H]1C ZINC000443353913 560081613 /nfs/dbraw/zinc/08/16/13/560081613.db2.gz DMQWHWFMEGWQQW-DOMZBBRYSA-N 1 0 362.861 2.481 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNS(=O)(=O)c1cnn(C(C)C)c1)C(C)C ZINC000444111595 560102106 /nfs/dbraw/zinc/10/21/06/560102106.db2.gz NMQIXMHZZOZCAX-QGZVFWFLSA-N 1 0 354.520 2.441 20 30 FEEDRO C[C@@H]1CN(c2ccnc(C(=O)N(CCC#N)CCC[NH+](C)C)c2)C[C@@H](C)O1 ZINC000446021262 560138230 /nfs/dbraw/zinc/13/82/30/560138230.db2.gz RJSADPQZQWRSRP-IAGOWNOFSA-N 1 0 373.501 2.003 20 30 FEEDRO CCC(C#N)(CC)C(=O)N1CCN(Cc2ccc3c(c2)OCCO3)CC1 ZINC000527713097 562301094 /nfs/dbraw/zinc/30/10/94/562301094.db2.gz JYPOTDOYEDLLRL-UHFFFAOYSA-N 1 0 357.454 2.432 20 30 FEEDRO C[C@@H]1C[NH+](Cc2ccc(CNC(=O)c3ccc(C#N)n3C)cc2)C[C@@H](C)O1 ZINC000448685583 560194112 /nfs/dbraw/zinc/19/41/12/560194112.db2.gz ACAPMARMXKSKQO-HZPDHXFCSA-N 1 0 366.465 2.436 20 30 FEEDRO CC[NH+]1CCN(Cc2ccc(NC(=O)c3ccc(C#N)n3C)cc2)CC1 ZINC000448695473 560194896 /nfs/dbraw/zinc/19/48/96/560194896.db2.gz XHXUALBYYITEMB-UHFFFAOYSA-N 1 0 351.454 2.287 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000448798473 560200108 /nfs/dbraw/zinc/20/01/08/560200108.db2.gz HGTCIFVQFAAIPD-UHFFFAOYSA-N 1 0 370.413 2.088 20 30 FEEDRO C[C@@H](CNC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)[N@H+](C)C1CC1 ZINC000448891644 560205242 /nfs/dbraw/zinc/20/52/42/560205242.db2.gz UVOSAMLYXGPAJG-GXTWGEPZSA-N 1 0 374.872 2.163 20 30 FEEDRO CC[N@H+](CCNC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)C1CC1 ZINC000448900489 560205571 /nfs/dbraw/zinc/20/55/71/560205571.db2.gz ZRBNNPLSQIAPTG-AWEZNQCLSA-N 1 0 374.872 2.165 20 30 FEEDRO N#Cc1ccc(OCC(=O)NCCC[NH+]2CCCC2)cc1Br ZINC000449165117 560218795 /nfs/dbraw/zinc/21/87/95/560218795.db2.gz TWCWSPAPEIEYOV-UHFFFAOYSA-N 1 0 366.259 2.302 20 30 FEEDRO Cc1cc(C[N@@H+](C)CCN(C)c2ccc(S(N)(=O)=O)cc2)ccc1C#N ZINC000449430370 560230193 /nfs/dbraw/zinc/23/01/93/560230193.db2.gz ZAGITZYCSBLLFA-UHFFFAOYSA-N 1 0 372.494 2.082 20 30 FEEDRO COC[C@]1(CO)CC[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000449704570 560237585 /nfs/dbraw/zinc/23/75/85/560237585.db2.gz VZNASLGKBJMTSG-HXUWFJFHSA-N 1 0 354.454 2.295 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)Cc1ccccc1O[C@H]1CCOC1 ZINC000449800343 560240460 /nfs/dbraw/zinc/24/04/60/560240460.db2.gz BBKTULXLGYHVJP-SFHVURJKSA-N 1 0 359.470 2.091 20 30 FEEDRO CC[N@@H+]1CCC[C@H](NC(=O)COc2cccc(Br)c2C#N)C1 ZINC000449823100 560241419 /nfs/dbraw/zinc/24/14/19/560241419.db2.gz YZGVKSVRQHJZHX-LBPRGKRZSA-N 1 0 366.259 2.300 20 30 FEEDRO C[NH+]1CCC(CNC(=O)COc2ccc(C#N)c(Br)c2)CC1 ZINC000449827311 560241583 /nfs/dbraw/zinc/24/15/83/560241583.db2.gz HLZRGRKCFFXPFI-UHFFFAOYSA-N 1 0 366.259 2.158 20 30 FEEDRO N#Cc1ccc(OCC(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc1Br ZINC000449831581 560241723 /nfs/dbraw/zinc/24/17/23/560241723.db2.gz XAWWJFGXXQUZRJ-ZDUSSCGKSA-N 1 0 364.243 2.006 20 30 FEEDRO C[NH+](C)[C@@H]1CCCN(C(=O)COc2ccc(C#N)c(Br)c2)C1 ZINC000449835381 560241871 /nfs/dbraw/zinc/24/18/71/560241871.db2.gz PHLSDVHEGJHMQW-CYBMUJFWSA-N 1 0 366.259 2.252 20 30 FEEDRO C[C@@H]1CN([C@H](CNC(=O)c2ccc(C#N)n2C)c2cccs2)CCO1 ZINC000450047882 560249136 /nfs/dbraw/zinc/24/91/36/560249136.db2.gz WFIICELPYCKVHB-CZUORRHYSA-N 1 0 358.467 2.150 20 30 FEEDRO Cc1[nH]c(C#N)cc1C(=O)N(C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000450059730 560249570 /nfs/dbraw/zinc/24/95/70/560249570.db2.gz LDFUTFJQJLKXFP-UHFFFAOYSA-N 1 0 371.529 2.463 20 30 FEEDRO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)[C@@]2(C#N)C[C@H]2C)cc1OC ZINC000450278201 560256758 /nfs/dbraw/zinc/25/67/58/560256758.db2.gz UDKBZMIPAAZHED-JLTOFOAXSA-N 1 0 372.469 2.255 20 30 FEEDRO N#Cc1ccc(N2CC[NH+]([C@@H]3CCNC(=O)CC3)CC2)cc1C(F)(F)F ZINC000450893220 560276915 /nfs/dbraw/zinc/27/69/15/560276915.db2.gz RCKHXWJANYSQSK-AWEZNQCLSA-N 1 0 366.387 2.368 20 30 FEEDRO C[NH+](C)CCOc1ccc(CCNS(=O)(=O)CC(C)(C)CC#N)cc1 ZINC000451168366 560290927 /nfs/dbraw/zinc/29/09/27/560290927.db2.gz VSPIQNVNPNTNPX-UHFFFAOYSA-N 1 0 367.515 2.029 20 30 FEEDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NS(=O)(=O)c1ccc(CC#N)cc1Cl ZINC000451322420 560300075 /nfs/dbraw/zinc/30/00/75/560300075.db2.gz UDKKYNCMQRNGNM-ABAIWWIYSA-N 1 0 353.875 2.167 20 30 FEEDRO CS[C@H]1CN(S(=O)(=O)c2ccc(CC#N)cc2Cl)C[C@@H]1[NH+](C)C ZINC000451351771 560301956 /nfs/dbraw/zinc/30/19/56/560301956.db2.gz JSEOLVUJKOHPRV-KBPBESRZSA-N 1 0 373.931 2.072 20 30 FEEDRO CC(=O)N1CCC[N@H+](C[C@@H]2CCCN(Cc3ccc(C#N)c(F)c3)C2)CC1 ZINC000451524153 560311912 /nfs/dbraw/zinc/31/19/12/560311912.db2.gz BQNBTJKJHGWQAE-IBGZPJMESA-N 1 0 372.488 2.464 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]CC(=O)Nc1cccc(I)c1 ZINC000451606186 560317165 /nfs/dbraw/zinc/31/71/65/560317165.db2.gz MFCTVLPCPSHRIS-OLZOCXBDSA-N 1 0 372.206 2.163 20 30 FEEDRO Cc1ncc(S(=O)(=O)N[C@@H](CC(C)C)C[NH+]2CCCC2)cc1C#N ZINC000451654915 560319883 /nfs/dbraw/zinc/31/98/83/560319883.db2.gz WMMLXMGNQNELOY-INIZCTEOSA-N 1 0 350.488 2.051 20 30 FEEDRO C[C@@H](CNC(=O)COc1cccc(Br)c1C#N)C[NH+](C)C ZINC000452007259 560344907 /nfs/dbraw/zinc/34/49/07/560344907.db2.gz PQHXYHNJMGMUDK-NSHDSACASA-N 1 0 354.248 2.013 20 30 FEEDRO CCO[C@@H]1CCC[C@H]1[NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000452016217 560345657 /nfs/dbraw/zinc/34/56/57/560345657.db2.gz NMJOPGFAGMQJBP-IAGOWNOFSA-N 1 0 353.426 2.230 20 30 FEEDRO Cc1cc(C#N)cc(NC(=O)C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)c1 ZINC000453568484 560389077 /nfs/dbraw/zinc/38/90/77/560389077.db2.gz AXYTXSXPNCUSBW-SFHVURJKSA-N 1 0 350.422 2.224 20 30 FEEDRO CC(C)C[C@@H](CNC(=O)C(=O)Nc1ccc(CC#N)cc1Cl)[NH+](C)C ZINC000453572075 560389150 /nfs/dbraw/zinc/38/91/50/560389150.db2.gz NKBLLXCKIDIKAK-AWEZNQCLSA-N 1 0 364.877 2.437 20 30 FEEDRO C[C@@H]1CCC[N@H+](CCCCNC(=O)C(=O)Nc2cccc(CC#N)c2)C1 ZINC000453598874 560390407 /nfs/dbraw/zinc/39/04/07/560390407.db2.gz MNWNMAZBWRKPCU-MRXNPFEDSA-N 1 0 356.470 2.319 20 30 FEEDRO Cc1nc(NC(=O)C(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)ccc1C#N ZINC000453608205 560391015 /nfs/dbraw/zinc/39/10/15/560391015.db2.gz OTDGDCMHFPCLQO-GASCZTMLSA-N 1 0 371.485 2.075 20 30 FEEDRO C[NH+](C)CC(C)(C)CNC(=O)C(=O)Nc1ccc(CC#N)cc1Cl ZINC000453637323 560392450 /nfs/dbraw/zinc/39/24/50/560392450.db2.gz BBJTXZIXGGZNIA-UHFFFAOYSA-N 1 0 350.850 2.049 20 30 FEEDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 ZINC000453647263 560393229 /nfs/dbraw/zinc/39/32/29/560393229.db2.gz RLJKSSDVJLIUTN-MRXNPFEDSA-N 1 0 372.469 2.275 20 30 FEEDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)Nc2ccc(CC#N)cc2Cl)C1 ZINC000453712745 560398887 /nfs/dbraw/zinc/39/88/87/560398887.db2.gz HQPBWTACEXNGOZ-RHSMWYFYSA-N 1 0 374.872 2.287 20 30 FEEDRO CCCn1ccnc1CCCN(C)C(=O)C(=O)Nc1cccc(CC#N)c1 ZINC000453758867 560402090 /nfs/dbraw/zinc/40/20/90/560402090.db2.gz QWGSMQHMGBEGKR-UHFFFAOYSA-N 1 0 367.453 2.389 20 30 FEEDRO C[N@H+](CCCCNC(=O)N1CCN(c2ccccc2C#N)CC1)C1CC1 ZINC000455609123 560489127 /nfs/dbraw/zinc/48/91/27/560489127.db2.gz KLRGRVMSQPUXRT-UHFFFAOYSA-N 1 0 355.486 2.264 20 30 FEEDRO CCN1CC[NH+](C[C@@H](C)CNC(=O)Nc2cnc(C#N)c(Cl)c2)CC1 ZINC000455775515 560494412 /nfs/dbraw/zinc/49/44/12/560494412.db2.gz DRBXZHDAUPJPFJ-ZDUSSCGKSA-N 1 0 364.881 2.002 20 30 FEEDRO N#Cc1ncc(NC(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)cc1Cl ZINC000455787100 560494686 /nfs/dbraw/zinc/49/46/86/560494686.db2.gz NCLJTYGTPILABW-CYBMUJFWSA-N 1 0 363.849 2.183 20 30 FEEDRO C[NH+]1CCN(c2ncccc2CNC(=O)Nc2cccc(CC#N)c2)CC1 ZINC000455920006 560500258 /nfs/dbraw/zinc/50/02/58/560500258.db2.gz NBIDSRHGIISQGG-UHFFFAOYSA-N 1 0 364.453 2.221 20 30 FEEDRO COc1ccc([C@H](CNC(=O)N(C)CC(C)(C)C#N)[NH+](C)C)cc1OC ZINC000457442969 560567167 /nfs/dbraw/zinc/56/71/67/560567167.db2.gz DNBROFYPIKGNSX-HNNXBMFYSA-N 1 0 362.474 2.498 20 30 FEEDRO C=CCC[C@H](CO)NC(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000457447155 560567480 /nfs/dbraw/zinc/56/74/80/560567480.db2.gz XZDPRGUODROLSW-IEBWSBKVSA-N 1 0 361.486 2.458 20 30 FEEDRO Cc1cc(C(=O)Nc2ccc(OC3CC[NH+](C)CC3)nc2)ncc1C#N ZINC000457674750 560581172 /nfs/dbraw/zinc/58/11/72/560581172.db2.gz QRPKAYDXTVRCTA-UHFFFAOYSA-N 1 0 351.410 2.382 20 30 FEEDRO CN(CC(C)(C)C#N)C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000458312422 560614454 /nfs/dbraw/zinc/61/44/54/560614454.db2.gz MVXLRDCGPGLEGH-UHFFFAOYSA-N 1 0 358.486 2.334 20 30 FEEDRO C=CCC[C@@H](CO)NC(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000458737395 560644949 /nfs/dbraw/zinc/64/49/49/560644949.db2.gz KAMQFMNRFMENSZ-NFOMZHRRSA-N 1 0 363.424 2.418 20 30 FEEDRO CN(CCC#N)C(=O)CC[N@@H+]1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459674477 560701344 /nfs/dbraw/zinc/70/13/44/560701344.db2.gz ZEPUIKVHBQYCDO-AWEZNQCLSA-N 1 0 361.408 2.430 20 30 FEEDRO C=CCN(Cc1ccccc1)C(=O)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000459996076 560727362 /nfs/dbraw/zinc/72/73/62/560727362.db2.gz PLKSCWDRBVGLFO-LJQANCHMSA-N 1 0 355.482 2.288 20 30 FEEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)N[C@@H]3CCC[C@@H]3C#N)CC2)cc1 ZINC000461939261 560788916 /nfs/dbraw/zinc/78/89/16/560788916.db2.gz WMMKGFGJIXWVMY-RTBURBONSA-N 1 0 351.454 2.468 20 30 FEEDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1CC(Oc2ccc(C#N)cc2)C1 ZINC000461955439 560789589 /nfs/dbraw/zinc/78/95/89/560789589.db2.gz FQPJQODPDQVFNB-QGZVFWFLSA-N 1 0 356.470 2.451 20 30 FEEDRO CN1CC[N@H+](CCCNC(=O)N[C@@H]2CCC[C@@H]2C#N)[C@@H](c2ccccc2)C1 ZINC000461961463 560789913 /nfs/dbraw/zinc/78/99/13/560789913.db2.gz VASUFVRJIHYORT-VAMGGRTRSA-N 1 0 369.513 2.357 20 30 FEEDRO CC[N@H+](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)[C@@H]1CCOC1 ZINC000463440900 560814614 /nfs/dbraw/zinc/81/46/14/560814614.db2.gz GYNPXQIYVRJKBP-MRXNPFEDSA-N 1 0 354.372 2.284 20 30 FEEDRO CCOc1ccc(N(CCC#N)C(=O)CN(C)[C@@H](C)C[S@@](C)=O)cc1 ZINC000467193549 560906035 /nfs/dbraw/zinc/90/60/35/560906035.db2.gz CCZQJUFHUDNMEH-ODCWNRFASA-N 1 0 365.499 2.031 20 30 FEEDRO Cc1onc(CC(=O)Nc2ccc(C)c(NC(=O)CC[NH+](C)C)c2)c1C#N ZINC000468964884 560943463 /nfs/dbraw/zinc/94/34/63/560943463.db2.gz KYXAALPUEUOKPF-UHFFFAOYSA-N 1 0 369.425 2.235 20 30 FEEDRO Cc1nn(C)c(N2CC[NH+](CCCOCc3ccccc3)CC2)c1C#N ZINC000472159790 561019798 /nfs/dbraw/zinc/01/97/98/561019798.db2.gz RSNQZGUOIVFFSC-UHFFFAOYSA-N 1 0 353.470 2.329 20 30 FEEDRO C[NH+](C)C(C)(C)CNC(=O)C(=O)Nc1ccccc1C#Cc1ccccc1 ZINC000473101161 561042121 /nfs/dbraw/zinc/04/21/21/561042121.db2.gz SNCGXBQBSXJYAY-UHFFFAOYSA-N 1 0 363.461 2.481 20 30 FEEDRO C=CCCCCNC(=O)C(=O)Nc1ccc(CN2CC[NH+](CC)CC2)cc1 ZINC000473320811 561047538 /nfs/dbraw/zinc/04/75/38/561047538.db2.gz MUPGWGQFXIWWSM-UHFFFAOYSA-N 1 0 372.513 2.235 20 30 FEEDRO CCN1CC[NH+](C[C@@H](C)CNC(=O)C[C@H](CC#N)c2ccccc2)CC1 ZINC000476041405 561110124 /nfs/dbraw/zinc/11/01/24/561110124.db2.gz MXFXHBRXLAEYIT-ICSRJNTNSA-N 1 0 356.514 2.464 20 30 FEEDRO CC(C)C[C@H](NC(=O)c1ccc(C(C)(C)C#N)cc1)C(=O)NCC[NH+](C)C ZINC000476456215 561119961 /nfs/dbraw/zinc/11/99/61/561119961.db2.gz YKQIMQYTEAOJTQ-SFHVURJKSA-N 1 0 372.513 2.310 20 30 FEEDRO COc1cccc([C@@H]2[C@H](NC(=O)c3cnn(C)c3C#N)CC[N@@H+]2C2CC2)c1 ZINC000476603769 561124087 /nfs/dbraw/zinc/12/40/87/561124087.db2.gz WIZBGUFFHFPNLR-IEBWSBKVSA-N 1 0 365.437 2.008 20 30 FEEDRO C[C@H]1CCC[C@](CNC(=O)C(=O)N(C)Cc2cccc(C#N)c2)([NH+](C)C)C1 ZINC000477223131 561139754 /nfs/dbraw/zinc/13/97/54/561139754.db2.gz VQDSDRFHDNHCOJ-KKSFZXQISA-N 1 0 370.497 2.143 20 30 FEEDRO O=C1c2ccccc2C(=O)N1CC#CCN1CCC([NH+]2CCCCC2)CC1 ZINC000528355641 562324365 /nfs/dbraw/zinc/32/43/65/562324365.db2.gz JTBOPKNWJANRGY-UHFFFAOYSA-N 1 0 365.477 2.236 20 30 FEEDRO CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](C[C@@H](O)COc2ccccc2C#N)C1 ZINC000528358223 562324746 /nfs/dbraw/zinc/32/47/46/562324746.db2.gz KJAORAGAKRYMLY-BHIYHBOVSA-N 1 0 373.497 2.315 20 30 FEEDRO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](C[C@H](O)COc2ccccc2C#N)C1 ZINC000528366806 562325219 /nfs/dbraw/zinc/32/52/19/562325219.db2.gz PSKBGDXCWCJYBE-UHOSZYNNSA-N 1 0 373.497 2.315 20 30 FEEDRO CN(C[C@@H](O)COc1ccccc1C#N)[C@H]1CCN(c2ccccc2)C1=O ZINC000528414337 562327724 /nfs/dbraw/zinc/32/77/24/562327724.db2.gz ADRZIEJLUYYKNQ-MOPGFXCFSA-N 1 0 365.433 2.035 20 30 FEEDRO O=C1c2ccccc2C(=O)N1CC#CC[N@@H+]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000528420966 562328421 /nfs/dbraw/zinc/32/84/21/562328421.db2.gz MWGNADUIHSNMOM-SJORKVTESA-N 1 0 352.434 2.035 20 30 FEEDRO Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1CC#CCN1C(=O)c2ccccc2C1=O ZINC000528431596 562329035 /nfs/dbraw/zinc/32/90/35/562329035.db2.gz WXPJEAQQKXUROS-GOSISDBHSA-N 1 0 362.433 2.463 20 30 FEEDRO C[N@@H+]1CCN(C[C@H](O)COc2ccccc2C#N)C[C@H]1Cc1ccccc1 ZINC000528495053 562332253 /nfs/dbraw/zinc/33/22/53/562332253.db2.gz CGDBNWSTSCDEHQ-RTWAWAEBSA-N 1 0 365.477 2.157 20 30 FEEDRO CC(C)[C@@]1(CO)CCC[N@H+](CC#CCN2C(=O)c3ccccc3C2=O)C1 ZINC000528511154 562333184 /nfs/dbraw/zinc/33/31/84/562333184.db2.gz DMNJHAHGRUXDMM-NRFANRHFSA-N 1 0 354.450 2.017 20 30 FEEDRO CO[C@H]1c2ccccc2C[C@H]1[NH2+]CC#CCN1C(=O)c2ccccc2C1=O ZINC000528517627 562333601 /nfs/dbraw/zinc/33/36/01/562333601.db2.gz BCWYMTXKDMVKDT-UXHICEINSA-N 1 0 360.413 2.188 20 30 FEEDRO N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@@H]2CC3(CC[C@@H]21)OCCO3 ZINC000528516692 562333624 /nfs/dbraw/zinc/33/36/24/562333624.db2.gz FPSJPTXILVZPGI-NEWSRXKRSA-N 1 0 372.465 2.306 20 30 FEEDRO COCc1ccc(NC(=O)N(C)CC2CC[NH+](C[C@H](C)O)CC2)cc1C#N ZINC000529214691 562365193 /nfs/dbraw/zinc/36/51/93/562365193.db2.gz XUDBIFNRWOPDIV-HNNXBMFYSA-N 1 0 374.485 2.261 20 30 FEEDRO CC(C)n1ncc2c1C[C@H]([NH2+]C[C@@H](O)COc1ccccc1C#N)CC2 ZINC000530232753 562403169 /nfs/dbraw/zinc/40/31/69/562403169.db2.gz AXBVBHXHEGUMQB-QZTJIDSGSA-N 1 0 354.454 2.222 20 30 FEEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+]C[C@H]2CCN2C2CCCCC2)c1 ZINC000530236430 562403190 /nfs/dbraw/zinc/40/31/90/562403190.db2.gz OCGVLNUMELMZJK-GOSISDBHSA-N 1 0 361.511 2.329 20 30 FEEDRO CN1CC[N@H+](C)Cc2ccc(NC[C@@H](O)COc3ccccc3C#N)cc21 ZINC000530237716 562403447 /nfs/dbraw/zinc/40/34/47/562403447.db2.gz JFNYTBIJWILIBI-LJQANCHMSA-N 1 0 366.465 2.292 20 30 FEEDRO N#Cc1ccccc1OCC[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000532706676 562486208 /nfs/dbraw/zinc/48/62/08/562486208.db2.gz ZWTPRLJBVPGGIP-HNNXBMFYSA-N 1 0 353.382 2.427 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cccc([C@@H]3CNC(=O)C3)c2)CC1 ZINC000532936212 562493048 /nfs/dbraw/zinc/49/30/48/562493048.db2.gz UCNJAWNAQDZVEH-INIZCTEOSA-N 1 0 356.470 2.452 20 30 FEEDRO N#Cc1ccc(C[NH2+][C@H]2CC(=O)N(CCOc3ccccc3)C2)c(F)c1 ZINC000533446541 562509070 /nfs/dbraw/zinc/50/90/70/562509070.db2.gz NWQNDENNTIVDOL-KRWDZBQOSA-N 1 0 353.397 2.467 20 30 FEEDRO C=C(C)[C@H](CC(=O)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1)OCC ZINC000535917156 562570840 /nfs/dbraw/zinc/57/08/40/562570840.db2.gz DFWACUIIPCOXBF-FHWLQOOXSA-N 1 0 351.535 2.375 20 30 FEEDRO Cc1ccc(NC(=O)C(=O)N2CCC(CC#N)CC2)c(OCC[NH+](C)C)c1 ZINC000541043155 562601134 /nfs/dbraw/zinc/60/11/34/562601134.db2.gz ZIKZWWXZUZJMCI-UHFFFAOYSA-N 1 0 372.469 2.026 20 30 FEEDRO N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC000602045095 567911542 /nfs/dbraw/zinc/91/15/42/567911542.db2.gz ZUWQOVPWSRXATN-LJQANCHMSA-N 1 0 370.472 2.411 20 30 FEEDRO CN(C(=O)C(=O)Nc1ccc(OCCC[NH+](C)C)cc1)[C@H]1CCC[C@@H]1C#N ZINC000602078573 567918290 /nfs/dbraw/zinc/91/82/90/567918290.db2.gz WYEFKLQAJUCDTL-QAPCUYQASA-N 1 0 372.469 2.106 20 30 FEEDRO N#C[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)CCN1Cc1ccccc1 ZINC000602097369 567926005 /nfs/dbraw/zinc/92/60/05/567926005.db2.gz OJCMMCIDUNFDSA-LJQANCHMSA-N 1 0 352.482 2.099 20 30 FEEDRO C[NH+](C)CCn1c2cc(C(=O)N3CCCC(C)(C)[C@H]3C#N)ccc2[nH]c1=O ZINC000602141769 567935518 /nfs/dbraw/zinc/93/55/18/567935518.db2.gz NTHIPBIEQRISQL-QGZVFWFLSA-N 1 0 369.469 2.458 20 30 FEEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@H](O)COc1ccc(F)c(F)c1 ZINC000602538943 567992657 /nfs/dbraw/zinc/99/26/57/567992657.db2.gz FZCCDPVRFUNSSL-KBPBESRZSA-N 1 0 354.397 2.393 20 30 FEEDRO C[C@H](CCC#N)C[NH2+]Cc1cccc(NC(=O)CCN2CCOCC2)c1 ZINC000602587270 567994505 /nfs/dbraw/zinc/99/45/05/567994505.db2.gz YRPMMOXLXYDXSJ-QGZVFWFLSA-N 1 0 358.486 2.377 20 30 FEEDRO C=CCc1ccc(OC[C@@H](O)C[N@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)c(OC)c1 ZINC000602857619 568002769 /nfs/dbraw/zinc/00/27/69/568002769.db2.gz UJEKOEDNZPUTHO-SCTDSRPQSA-N 1 0 373.497 2.082 20 30 FEEDRO CCNS(=O)(=O)c1cccc(C[NH2+][C@@H](C)CC2(C#N)CCOCC2)c1 ZINC000602689251 568011688 /nfs/dbraw/zinc/01/16/88/568011688.db2.gz AWWARTPORZHVOE-HNNXBMFYSA-N 1 0 365.499 2.173 20 30 FEEDRO COc1cc(NC(=O)C[NH2+][C@H](C)CC2(C#N)CCOCC2)cc(OC)c1 ZINC000602694347 568015888 /nfs/dbraw/zinc/01/58/88/568015888.db2.gz LKFFXQMBAXQSDD-CQSZACIVSA-N 1 0 361.442 2.331 20 30 FEEDRO N#CC1CCC([NH2+]CCNC(=O)c2ccc(Br)cn2)CC1 ZINC000602704536 568017796 /nfs/dbraw/zinc/01/77/96/568017796.db2.gz AARVSEJTAHBCRX-UHFFFAOYSA-N 1 0 351.248 2.246 20 30 FEEDRO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCC(CCO)(CCO)CC1 ZINC000602966350 568024825 /nfs/dbraw/zinc/02/48/25/568024825.db2.gz BKGVPBGBDQYBDG-SFHVURJKSA-N 1 0 373.497 2.169 20 30 FEEDRO C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000568525424 568046971 /nfs/dbraw/zinc/04/69/71/568046971.db2.gz QBGXJOCHQHJJSS-UCLAIMLFSA-N 1 0 357.454 2.070 20 30 FEEDRO CCCN(CC[NH+]1CCCCCC1)C(=O)C(=O)Nc1cc(C)c(C#N)cn1 ZINC000568650810 568107017 /nfs/dbraw/zinc/10/70/17/568107017.db2.gz XOHWCUGDIIWTHI-UHFFFAOYSA-N 1 0 371.485 2.315 20 30 FEEDRO N#Cc1cccc(S(=O)(=O)N2CC[C@@H](c3ccc(F)cc3)[C@H]([NH3+])C2)c1 ZINC000568653813 568107101 /nfs/dbraw/zinc/10/71/01/568107101.db2.gz IHWQUEOOBWESMR-ZWKOTPCHSA-N 1 0 359.426 2.203 20 30 FEEDRO Cc1noc([C@H]2CCC[N@H+](C[C@@H](O)COc3ccc(CC#N)cc3)C2)n1 ZINC000604315986 568245968 /nfs/dbraw/zinc/24/59/68/568245968.db2.gz KYXJCJJRLSZXOG-DLBZAZTESA-N 1 0 356.426 2.063 20 30 FEEDRO Cc1csc(NC(=O)N2CCC(C[NH+]3CCN(C)CC3)CC2)c1C#N ZINC000568898510 568249782 /nfs/dbraw/zinc/24/97/82/568249782.db2.gz LYRRPCZLWLLIPU-UHFFFAOYSA-N 1 0 361.515 2.420 20 30 FEEDRO C[C@H](Cc1c[nH]cn1)C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000569353354 568395797 /nfs/dbraw/zinc/39/57/97/568395797.db2.gz QBHKPFRPMNVPPE-BZOOQXSSSA-N 1 0 353.426 2.361 20 30 FEEDRO Cc1csc(NC(=O)NCc2cccnc2N2CC[NH+](C)CC2)c1C#N ZINC000569658327 568416417 /nfs/dbraw/zinc/41/64/17/568416417.db2.gz WBMKOIXFDVQOFK-UHFFFAOYSA-N 1 0 370.482 2.397 20 30 FEEDRO Cc1ccc2ncc(C#N)c(N3CC[NH+]([C@H]4CCNC(=O)CC4)CC3)c2c1 ZINC000570914677 568673260 /nfs/dbraw/zinc/67/32/60/568673260.db2.gz INRUKVJLJHVWCV-QGZVFWFLSA-N 1 0 363.465 2.206 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@H]2Cc3ccc(Cl)cc3C2)nc1 ZINC000808756866 674470718 /nfs/dbraw/zinc/47/07/18/674470718.db2.gz ZABVVHKOJITXML-INIZCTEOSA-N 1 0 361.854 2.137 20 30 FEEDRO N#Cc1cccc([C@@H](C(=O)[O-])[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000833073370 601322258 /nfs/dbraw/zinc/32/22/58/601322258.db2.gz AAUVMBRWESGICN-IBGZPJMESA-N 1 0 357.454 2.261 20 30 FEEDRO COc1ccccc1OCC[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000558720790 674513030 /nfs/dbraw/zinc/51/30/30/674513030.db2.gz QPZOAVUDSHBFBV-UHFFFAOYSA-N 1 0 360.435 2.009 20 30 FEEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]C1CCN(S(=O)(=O)C(F)(F)F)CC1)CC2 ZINC000810222685 674537245 /nfs/dbraw/zinc/53/72/45/674537245.db2.gz YZUGYDFOUDXTJP-HNNXBMFYSA-N 1 0 373.400 2.449 20 30 FEEDRO C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)C[NH+]1CCC(C)CC1 ZINC000819744086 606800260 /nfs/dbraw/zinc/80/02/60/606800260.db2.gz VXPBAJBQMCGZLP-UHFFFAOYSA-N 1 0 354.458 2.113 20 30 FEEDRO C[C@@H]([NH2+]CC(=O)Nc1sccc1C#N)c1cccc(-c2nn[nH]n2)c1 ZINC000824564459 608488327 /nfs/dbraw/zinc/48/83/27/608488327.db2.gz TZMNULDISAAIIE-SNVBAGLBSA-N 1 0 353.411 2.089 20 30 FEEDRO C#C[C@@H](NC(=O)NC1CCN(CC[NH+](C)C)CC1)c1ccc(Cl)cc1 ZINC000811999002 674645847 /nfs/dbraw/zinc/64/58/47/674645847.db2.gz GPYXHRPGMKRGSH-GOSISDBHSA-N 1 0 362.905 2.340 20 30 FEEDRO C[N@@H+]1CC[C@@H](Cn2nnnc2Sc2ccc(C(F)(F)F)c(C#N)n2)C1 ZINC000562741073 674800160 /nfs/dbraw/zinc/80/01/60/674800160.db2.gz PEIBEDUMQLADAK-SECBINFHSA-N 1 0 369.376 2.061 20 30 FEEDRO C[C@H](C[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)Sc1ccccc1 ZINC000562989869 674832162 /nfs/dbraw/zinc/83/21/62/674832162.db2.gz AMRRBLSFGJPILS-CQSZACIVSA-N 1 0 361.492 2.497 20 30 FEEDRO CC(=NNC(=S)NC1CC[NH+](Cc2ccccc2)CC1)c1cc[nH]n1 ZINC000814727652 674876316 /nfs/dbraw/zinc/87/63/16/674876316.db2.gz RINQWDVFRAQJCY-UHFFFAOYSA-N 1 0 356.499 2.262 20 30 FEEDRO CN(C)C(=O)OC1CC[NH+](CCC(=O)Nc2sccc2C#N)CC1 ZINC000815189184 674928074 /nfs/dbraw/zinc/92/80/74/674928074.db2.gz IBCJBGLUPXVCFW-UHFFFAOYSA-N 1 0 350.444 2.111 20 30 FEEDRO CC[C@@H](COCC(F)(F)F)[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000564565916 675038060 /nfs/dbraw/zinc/03/80/60/675038060.db2.gz YSEJYRADKJONPF-ZDUSSCGKSA-N 1 0 364.389 2.279 20 30 FEEDRO CNC(=S)C(C(=O)c1ccc(F)c(F)c1)[n+]1ccc(N(C)C)cc1 ZINC000022734141 670043277 /nfs/dbraw/zinc/04/32/77/670043277.db2.gz WULISGYHKQKKHH-UHFFFAOYSA-O 1 0 350.414 2.477 20 30 FEEDRO Cc1ccc(S(=O)(=O)NN=C2CC[NH+](C(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000060798819 670389358 /nfs/dbraw/zinc/38/93/58/670389358.db2.gz GQAGQHVQXVYPBT-UHFFFAOYSA-N 1 0 368.459 2.432 20 30 FEEDRO C=C(Br)CNC(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000073886419 670509739 /nfs/dbraw/zinc/50/97/39/670509739.db2.gz RPERYKVPWIWHMV-UHFFFAOYSA-N 1 0 373.339 2.145 20 30 FEEDRO [NH2+]=C(NCCNC(=O)c1cccc(Br)c1)NC1CCCC1 ZINC000076105686 670541757 /nfs/dbraw/zinc/54/17/57/670541757.db2.gz SCIBJBJBBBJBIT-UHFFFAOYSA-N 1 0 353.264 2.026 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)NC[C@H](O)c2c(F)cccc2F)CC1 ZINC000077566979 670567258 /nfs/dbraw/zinc/56/72/58/670567258.db2.gz XVJQMYVJTSMVCM-INIZCTEOSA-N 1 0 353.413 2.338 20 30 FEEDRO CN(CCC#N)C[C@@H](O)C[NH2+]CC1(c2cccc(Cl)c2)CCOCC1 ZINC000565409033 675118969 /nfs/dbraw/zinc/11/89/69/675118969.db2.gz CZWIIKHRFJBFJI-SFHVURJKSA-N 1 0 365.905 2.184 20 30 FEEDRO C=CCc1cc(OCC)cc(C[N@H+]2CC[C@H](S(=O)(=O)NCC)C2)c1O ZINC000092304336 670738150 /nfs/dbraw/zinc/73/81/50/670738150.db2.gz SRZMZOQYRUZPHL-KRWDZBQOSA-N 1 0 368.499 2.033 20 30 FEEDRO C[C@H]1CCCN(C(=[NH2+])NC[C@H](O)COc2cccc(C(F)(F)F)c2)C1 ZINC000104179975 670791013 /nfs/dbraw/zinc/79/10/13/670791013.db2.gz KCPFLYFUSSGGED-JSGCOSHPSA-N 1 0 359.392 2.492 20 30 FEEDRO [NH2+]=C(Nc1ccc2c(c1)OCCCO2)N[C@H]1CCN(CC(F)(F)F)C1 ZINC000104181201 670791047 /nfs/dbraw/zinc/79/10/47/670791047.db2.gz ZRRDKTDWADWFJG-LBPRGKRZSA-N 1 0 358.364 2.211 20 30 FEEDRO CC(C)CCC[C@@H](C)NC(=[NH2+])NC[C@]1(N2CCOCC2)CCSC1 ZINC000104178588 670791181 /nfs/dbraw/zinc/79/11/81/670791181.db2.gz CHZGWVQXCUJVFM-SJLPKXTDSA-N 1 0 356.580 2.313 20 30 FEEDRO C[C@H](NC(=O)CON=C(N)C[NH+]1CCCCCC1)c1ccc(F)cc1 ZINC000106437790 670812338 /nfs/dbraw/zinc/81/23/38/670812338.db2.gz KJNVLOINBQXZSY-AWEZNQCLSA-N 1 0 350.438 2.168 20 30 FEEDRO C=CC[C@@H](C)NC(=O)C(=O)Nc1ccc(N2CCN(C)CC2)c(Cl)c1 ZINC000117078058 670911740 /nfs/dbraw/zinc/91/17/40/670911740.db2.gz ABTOHOSTPLAKMC-CYBMUJFWSA-N 1 0 364.877 2.111 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+]CCCSc2ccccc2)nc1 ZINC000566063483 675176851 /nfs/dbraw/zinc/17/68/51/675176851.db2.gz XXPGUSQMJVDELK-UHFFFAOYSA-N 1 0 361.492 2.499 20 30 FEEDRO CC(C)[C@@H]1C[C@H](C[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)CCO1 ZINC000575053657 671295707 /nfs/dbraw/zinc/29/57/07/671295707.db2.gz UBSCYZTVLUHABI-AEFFLSMTSA-N 1 0 350.484 2.373 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+]C[C@@H]2CCOc3ccccc32)cc1 ZINC000576749207 671391457 /nfs/dbraw/zinc/39/14/57/671391457.db2.gz PGQQCRXFGCJROL-INIZCTEOSA-N 1 0 356.447 2.488 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1[nH]nc(C2CC2)c1Br ZINC000609166961 675912700 /nfs/dbraw/zinc/91/27/00/675912700.db2.gz JKAJSLKUXOSSLJ-UHFFFAOYSA-N 1 0 368.279 2.357 20 30 FEEDRO C[N@H+](CC1CC1)C[C@H]1CCN(S(=O)(=O)Cc2ccc(CC#N)cc2)C1 ZINC000577277774 671584508 /nfs/dbraw/zinc/58/45/08/671584508.db2.gz YOPJZTCRCDBYAV-LJQANCHMSA-N 1 0 361.511 2.246 20 30 FEEDRO CC(C)[NH2+]CCCNC(=O)C(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000577473313 671598196 /nfs/dbraw/zinc/59/81/96/671598196.db2.gz YDCCZZNFFDTBSE-AWEZNQCLSA-N 1 0 362.499 2.381 20 30 FEEDRO CC[S@](=O)[C@@H]1CCC[C@H]([NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000578350566 671658945 /nfs/dbraw/zinc/65/89/45/671658945.db2.gz QJICDPSPXVSRAY-PXAQALGRSA-N 1 0 368.524 2.001 20 30 FEEDRO CC[NH+](CC)CCS(=O)(=O)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000580261417 671793283 /nfs/dbraw/zinc/79/32/83/671793283.db2.gz FMBUQDJCJOIUNV-UHFFFAOYSA-N 1 0 362.417 2.318 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)NC[C@H](O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000118518890 671886524 /nfs/dbraw/zinc/88/65/24/671886524.db2.gz UKLRRKAJNDNPMU-INIZCTEOSA-N 1 0 355.265 2.488 20 30 FEEDRO CC[NH+](CC)CC#C[C@H](C)OC(=O)[C@@H]1CSCN1C(=O)C(C)(C)C ZINC000121392790 671948582 /nfs/dbraw/zinc/94/85/82/671948582.db2.gz WUSFGAXIDJPFAO-GJZGRUSLSA-N 1 0 354.516 2.211 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+]C[C@H]2CCC3(CCCCC3)O2)nc1 ZINC000582117954 671969915 /nfs/dbraw/zinc/96/99/15/671969915.db2.gz QBTIZWAUEGHXLX-MRXNPFEDSA-N 1 0 363.483 2.198 20 30 FEEDRO CC[C@H]1CN(C(NCC(=O)Nc2ccc(F)c(F)c2F)=[NH+]C)CCS1 ZINC000124390694 671996607 /nfs/dbraw/zinc/99/66/07/671996607.db2.gz RGSMDKCSKUZYRY-JTQLQIEISA-N 1 0 374.432 2.445 20 30 FEEDRO C[N@H+](CCCNC(=O)OC(C)(C)C)CC(=O)NC1(C#N)CCCCC1 ZINC000125144946 672007286 /nfs/dbraw/zinc/00/72/86/672007286.db2.gz QEQMTZSIMBZNSZ-UHFFFAOYSA-N 1 0 352.479 2.176 20 30 FEEDRO N#Cc1cc(S(=O)(=O)NCC2CC[NH+](C3CC3)CC2)ccc1Cl ZINC000582943775 672048468 /nfs/dbraw/zinc/04/84/68/672048468.db2.gz WZOMYOFUTJFTDF-UHFFFAOYSA-N 1 0 353.875 2.364 20 30 FEEDRO Cc1nnc(-c2cccc(C#N)c2)n1C[N@@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000131139154 672084539 /nfs/dbraw/zinc/08/45/39/672084539.db2.gz MTVJVEMVRVQEKT-DLBZAZTESA-N 1 0 355.467 2.289 20 30 FEEDRO C=CCc1ccccc1OC[C@H](O)C[NH2+][C@@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000584108820 672156814 /nfs/dbraw/zinc/15/68/14/672156814.db2.gz VJVRKHAILXNWOL-KZNAEPCWSA-N 1 0 367.511 2.100 20 30 FEEDRO N#Cc1ccc(CN2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c(OC(F)F)c1 ZINC000610613783 675984369 /nfs/dbraw/zinc/98/43/69/675984369.db2.gz MAEQDXZZSGGVKR-JKSUJKDBSA-N 1 0 351.397 2.191 20 30 FEEDRO CCCN(CC[NH+]1CCCCCC1)S(=O)(=O)N(CC)C[C@H](C)C#N ZINC000584254491 672170029 /nfs/dbraw/zinc/17/00/29/672170029.db2.gz RUSOOTDNENCFDE-QGZVFWFLSA-N 1 0 358.552 2.301 20 30 FEEDRO C[NH+]=C(NCc1nccs1)N[C@H]1CCN(c2ncccc2Cl)C1 ZINC000158949582 672275021 /nfs/dbraw/zinc/27/50/21/672275021.db2.gz RGRMBZMDRMAUFJ-NSHDSACASA-N 1 0 350.879 2.135 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N(c2nc(C(=O)OCC)cs2)C2CC2)CC1 ZINC000173107998 672348044 /nfs/dbraw/zinc/34/80/44/672348044.db2.gz LYJWRJVNINAMLK-UHFFFAOYSA-N 1 0 361.467 2.160 20 30 FEEDRO C[C@H]([NH2+]CC1CCN(S(=O)(=O)C(F)F)CC1)c1ccc(C#N)cc1 ZINC000174087842 672357709 /nfs/dbraw/zinc/35/77/09/672357709.db2.gz PVJYNBVECXIAQU-LBPRGKRZSA-N 1 0 357.426 2.473 20 30 FEEDRO CCNC(=S)C(C(=O)c1ccc(C#N)cc1)[n+]1ccc(N(C)C)cc1 ZINC000185571704 672529587 /nfs/dbraw/zinc/52/95/87/672529587.db2.gz NOSALGLXGQSPFE-UHFFFAOYSA-O 1 0 353.471 2.460 20 30 FEEDRO [NH2+]=C(NCc1ccc(N2CCCS2(=O)=O)c(F)c1)N1CCCCCC1 ZINC000187046811 672561687 /nfs/dbraw/zinc/56/16/87/672561687.db2.gz ARMYUAWYADNFFV-UHFFFAOYSA-N 1 0 368.478 2.056 20 30 FEEDRO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)Nc1scc(C(C)(C)C)c1C#N ZINC000590219232 672565544 /nfs/dbraw/zinc/56/55/44/672565544.db2.gz VRDNQGSFFOGNMY-NSHDSACASA-N 1 0 350.488 2.312 20 30 FEEDRO C[NH+](C)CCn1nnnc1SCc1ccc(C#N)cc1Br ZINC000611491993 676040224 /nfs/dbraw/zinc/04/02/24/676040224.db2.gz VBPYVJZFQAAISE-UHFFFAOYSA-N 1 0 367.276 2.161 20 30 FEEDRO N#CCCN1CC[NH+](CCC(=O)Nc2cccc(Br)c2)CC1 ZINC000591020469 672642052 /nfs/dbraw/zinc/64/20/52/672642052.db2.gz GDDWXBVHJYDWOQ-UHFFFAOYSA-N 1 0 365.275 2.309 20 30 FEEDRO N#Cc1cc(Cl)c(C(=O)N[C@H](CO)C[NH+]2CCCCC2)c(Cl)c1 ZINC000591219253 672659175 /nfs/dbraw/zinc/65/91/75/672659175.db2.gz CEFYVEFHGKQTMV-LBPRGKRZSA-N 1 0 356.253 2.442 20 30 FEEDRO CC(C)(C)c1csc(NC(=O)C(=O)N2CCC3(CC[NH2+]3)CC2)c1C#N ZINC000591580549 672691772 /nfs/dbraw/zinc/69/17/72/672691772.db2.gz SJSAQOGUPZTMEP-UHFFFAOYSA-N 1 0 360.483 2.210 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+]CC2(c3ccccc3)CCC2)nc1 ZINC000591723906 672704648 /nfs/dbraw/zinc/70/46/48/672704648.db2.gz QXZZVABCMOPXTN-UHFFFAOYSA-N 1 0 355.463 2.438 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H]2[C@@H]3CCc4ccccc4[C@@H]32)nc1 ZINC000591755220 672708094 /nfs/dbraw/zinc/70/80/94/672708094.db2.gz ROPHOZLIWFJWTO-NZSAHSFTSA-N 1 0 353.447 2.045 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H]2CCOC3(CCCCC3)C2)nc1 ZINC000591755938 672708596 /nfs/dbraw/zinc/70/85/96/672708596.db2.gz CJEPRZVREYCQOV-MRXNPFEDSA-N 1 0 363.483 2.198 20 30 FEEDRO CC(C)[C@H](C[NH2+]CCS(=O)(=O)c1cccc(C#N)c1)c1ccnn1C ZINC000591763528 672708987 /nfs/dbraw/zinc/70/89/87/672708987.db2.gz WHSZMJYOTVXLQY-KRWDZBQOSA-N 1 0 360.483 2.095 20 30 FEEDRO CC(C)[C@H](C[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)c1ccnn1C ZINC000591763482 672709073 /nfs/dbraw/zinc/70/90/73/672709073.db2.gz LKUPNIUCXHAAAK-KRWDZBQOSA-N 1 0 360.483 2.095 20 30 FEEDRO CCCS(=O)(=O)N1CCC([NH2+][C@@H](C)c2ccc(OCC#N)cc2)CC1 ZINC000193022928 672709765 /nfs/dbraw/zinc/70/97/65/672709765.db2.gz JZXGASWXDRMRBT-HNNXBMFYSA-N 1 0 365.499 2.444 20 30 FEEDRO N#CC[C@]1(O)CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)C1 ZINC000592147163 672764045 /nfs/dbraw/zinc/76/40/45/672764045.db2.gz ITXTXUNWGAMDGM-SFHVURJKSA-N 1 0 358.467 2.178 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@@H]1CSCN1C(=O)CC)C(C)C ZINC000592884762 672851256 /nfs/dbraw/zinc/85/12/56/672851256.db2.gz AVJMTNFXYIWGAV-HOTGVXAUSA-N 1 0 353.532 2.113 20 30 FEEDRO CC[S@](=O)[C@@H]1CCC[C@@H](NC(NCc2ccc3c(c2)COC3)=[NH+]C)C1 ZINC000261697188 672901687 /nfs/dbraw/zinc/90/16/87/672901687.db2.gz IWLAMQQWDLLHHT-GAKIBJFNSA-N 1 0 363.527 2.462 20 30 FEEDRO CC[NH+]=C(NC[C@H]1CCCO1)N(C)Cc1cc(Br)cn1C ZINC000261696977 672901703 /nfs/dbraw/zinc/90/17/03/672901703.db2.gz FTNVHAGZMNXNAS-CQSZACIVSA-N 1 0 357.296 2.364 20 30 FEEDRO C[NH+]=C(NCc1nnc2n1CCCCC2)N1CCS[C@@H](C(C)C)C1 ZINC000261763449 672903093 /nfs/dbraw/zinc/90/30/93/672903093.db2.gz NGRSEXUOABSCME-CQSZACIVSA-N 1 0 350.536 2.153 20 30 FEEDRO C[NH+]=C(NC[C@]1(N(C)C)CCSC1)N1CCC(OC(C)(C)C)CC1 ZINC000261820100 672903455 /nfs/dbraw/zinc/90/34/55/672903455.db2.gz UKSFDZBVXQLHEE-GOSISDBHSA-N 1 0 356.580 2.279 20 30 FEEDRO C[NH+]=C(NC[C@]1(C)CCCC[C@@H]1O)N1CCN([C@H](C)C(F)(F)F)CC1 ZINC000261812075 672903591 /nfs/dbraw/zinc/90/35/91/672903591.db2.gz JPLYJBJEYHRMPS-YCPHGPKFSA-N 1 0 364.456 2.071 20 30 FEEDRO CC(C)(C)NC(=[NH2+])NCc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1 ZINC000261896012 672904985 /nfs/dbraw/zinc/90/49/85/672904985.db2.gz UYUBVAMFJNQUTN-UHFFFAOYSA-N 1 0 351.394 2.312 20 30 FEEDRO [NH2+]=C(NCc1noc(C2CC2)n1)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000261926579 672905558 /nfs/dbraw/zinc/90/55/58/672905558.db2.gz KERMTXJQCUKKLX-UHFFFAOYSA-N 1 0 360.849 2.237 20 30 FEEDRO CS(=O)(=O)Nc1cccc(CNC(=[NH2+])Nc2ccc3c(c2)CCC3)c1 ZINC000262303763 672913051 /nfs/dbraw/zinc/91/30/51/672913051.db2.gz OFQRBVAGOPJFLH-UHFFFAOYSA-N 1 0 358.467 2.474 20 30 FEEDRO CCOC(=O)C1CCN(C(N[C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)=[NH+]C)CC1 ZINC000262335843 672913560 /nfs/dbraw/zinc/91/35/60/672913560.db2.gz BTVSXSZEXPTUIV-XHSDSOJGSA-N 1 0 351.491 2.041 20 30 FEEDRO C=C(C)CNC(=[NH+]C[C@@H]1CCS(=O)(=O)C1)N1C[C@@H](C)CC(C)(C)C1 ZINC000262338705 672913571 /nfs/dbraw/zinc/91/35/71/672913571.db2.gz CGJAFSICJPJTRP-HOTGVXAUSA-N 1 0 355.548 2.311 20 30 FEEDRO CC[NH+]=C(NCc1nc(C)c(C)s1)NCc1nnc2n1CCCCC2 ZINC000262446316 672915855 /nfs/dbraw/zinc/91/58/55/672915855.db2.gz VJIZQOMBUKHBCE-UHFFFAOYSA-N 1 0 361.519 2.333 20 30 FEEDRO C[NH+]=C(NC[C@]1(O)CCSC1)N1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000262474347 672917097 /nfs/dbraw/zinc/91/70/97/672917097.db2.gz ZLWFPBCURIGZLS-CRAIPNDOSA-N 1 0 351.491 2.134 20 30 FEEDRO CC(C)[NH+]1CCN(C(=O)Cc2ccc(Br)cc2C#N)CC1 ZINC000593401492 672918677 /nfs/dbraw/zinc/91/86/77/672918677.db2.gz CAOLKQVWVFHMEL-UHFFFAOYSA-N 1 0 350.260 2.416 20 30 FEEDRO CS(=O)(=O)c1cccnc1CNC(=[NH2+])Nc1cccc2c1CCCC2 ZINC000262769445 672920538 /nfs/dbraw/zinc/92/05/38/672920538.db2.gz IFXFTIHWHYUKRT-UHFFFAOYSA-N 1 0 358.467 2.291 20 30 FEEDRO C[NH+]=C(NCCSc1ccc(Cl)cc1)N1CCN(C(C)=O)CC1 ZINC000263075833 672927493 /nfs/dbraw/zinc/92/74/93/672927493.db2.gz CLHIXHGDZZRVSG-UHFFFAOYSA-N 1 0 354.907 2.172 20 30 FEEDRO C[C@H]1CC[N@H+](CCNC(=O)Cc2ccc(Br)cc2C#N)C1 ZINC000593499471 672930561 /nfs/dbraw/zinc/93/05/61/672930561.db2.gz SNDWROLZKNOHSU-LBPRGKRZSA-N 1 0 350.260 2.321 20 30 FEEDRO CC[N@H+](CCCNS(=O)(=O)c1ccc(C#N)nc1)C1CCCCC1 ZINC000593627041 672961959 /nfs/dbraw/zinc/96/19/59/672961959.db2.gz LQVWFBSVFFQUPX-UHFFFAOYSA-N 1 0 350.488 2.276 20 30 FEEDRO CCO[C@@H]1CN(C(=O)Nc2ccc(C#N)c(Br)c2)C[C@H]1C[NH3+] ZINC000593761717 672988809 /nfs/dbraw/zinc/98/88/09/672988809.db2.gz VHFPAXYECTZROM-BXUZGUMPSA-N 1 0 367.247 2.148 20 30 FEEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCCC1(C[NH3+])CC1 ZINC000593769940 672989447 /nfs/dbraw/zinc/98/94/47/672989447.db2.gz GCMGRGXGKAGGTL-CYBMUJFWSA-N 1 0 360.483 2.265 20 30 FEEDRO COc1ccc(Cl)c(N2CCN(C(=O)[C@H]([NH3+])CCCC#N)CC2)c1 ZINC000593913102 673007288 /nfs/dbraw/zinc/00/72/88/673007288.db2.gz XPOWEKREVHEAHN-OAHLLOKOSA-N 1 0 350.850 2.018 20 30 FEEDRO CC(C)CCC[C@H](C)NC(=[NH2+])NCCS(=O)(=O)NCc1ccccc1 ZINC000303898557 673018488 /nfs/dbraw/zinc/01/84/88/673018488.db2.gz RBNLHCBMGAJECJ-INIZCTEOSA-N 1 0 368.547 2.225 20 30 FEEDRO C[NH+]1CCC(C#N)(NC(=O)CCc2ccc3c(c2)OC(F)(F)O3)CC1 ZINC000593998088 673019105 /nfs/dbraw/zinc/01/91/05/673019105.db2.gz SIZUUWLRDQTCEY-UHFFFAOYSA-N 1 0 351.353 2.045 20 30 FEEDRO CCc1cccc(NC(=[NH2+])NCCOc2ccc(S(C)(=O)=O)cc2)c1 ZINC000304760506 673020767 /nfs/dbraw/zinc/02/07/67/673020767.db2.gz SMOXUZVZWARHGA-UHFFFAOYSA-N 1 0 361.467 2.458 20 30 FEEDRO CC(C)C[C@@H](CCO)CNC(=[NH2+])N1CCN(c2ccc(F)cc2)CC1 ZINC000304772847 673020785 /nfs/dbraw/zinc/02/07/85/673020785.db2.gz AVZAFRALLNJVNR-MRXNPFEDSA-N 1 0 350.482 2.307 20 30 FEEDRO CCO[C@@H](CCNC(=[NH2+])N1CCN(C(=O)OC(C)(C)C)CC1)C(C)C ZINC000304792982 673020856 /nfs/dbraw/zinc/02/08/56/673020856.db2.gz LHKCIEZGXVTUOO-HNNXBMFYSA-N 1 0 356.511 2.305 20 30 FEEDRO C[NH+]1CCC(C#N)(NC(=O)c2cnc(Cl)c(Br)c2)CC1 ZINC000312694171 673029012 /nfs/dbraw/zinc/02/90/12/673029012.db2.gz CHXLCUMGHNLLJU-UHFFFAOYSA-N 1 0 357.639 2.215 20 30 FEEDRO CO[C@H]1C[C@@H](C(=O)NC[C@H](c2ccc(C)s2)N2CCOCC2)N(C)C1 ZINC000329022934 673071064 /nfs/dbraw/zinc/07/10/64/673071064.db2.gz MSXKLENXPRBYOS-HRCADAONSA-N 1 0 367.515 2.105 20 30 FEEDRO COC(=O)C[C@H](NC(=O)[C@H]([NH3+])CCCCC#N)c1ccc(Cl)cc1 ZINC000594432437 673071302 /nfs/dbraw/zinc/07/13/02/673071302.db2.gz AGPYCIJHLGWDSY-CABCVRRESA-N 1 0 351.834 2.472 20 30 FEEDRO N#CCCCC[C@H]([NH3+])C(=O)N[C@H]1CCCN(c2ccccc2Cl)C1=O ZINC000594433190 673071463 /nfs/dbraw/zinc/07/14/63/673071463.db2.gz MCXRBNOKGVCTKV-GJZGRUSLSA-N 1 0 362.861 2.363 20 30 FEEDRO CCCS(=O)(=O)Nc1cccc(NC(=O)[C@H]([NH3+])CCCCC#N)c1 ZINC000594447680 673073559 /nfs/dbraw/zinc/07/35/59/673073559.db2.gz VFAAZGAVIAQZMH-OAHLLOKOSA-N 1 0 352.460 2.188 20 30 FEEDRO CN(C)C(=O)C1(CNC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)CCCC1 ZINC000329399348 673076627 /nfs/dbraw/zinc/07/66/27/673076627.db2.gz XIDGIUHCHWLYRQ-MRXNPFEDSA-N 1 0 350.507 2.109 20 30 FEEDRO N#CCCCC[C@@H]([NH3+])C(=O)Nc1cnc2c(Br)cccn12 ZINC000594467090 673078242 /nfs/dbraw/zinc/07/82/42/673078242.db2.gz FZWYZKJQUMYFSZ-LLVKDONJSA-N 1 0 350.220 2.447 20 30 FEEDRO N#CCCCC[C@@H]([NH3+])C(=O)NCCc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000594469634 673078624 /nfs/dbraw/zinc/07/86/24/673078624.db2.gz JBWAARKYMKEWEM-CQSZACIVSA-N 1 0 360.849 2.195 20 30 FEEDRO C[NH+](C)[C@H]1C[C@@H](CNS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)C1 ZINC000594474970 673081392 /nfs/dbraw/zinc/08/13/92/673081392.db2.gz PLFKNPBFKNZKTO-KLPPZKSPSA-N 1 0 361.389 2.196 20 30 FEEDRO N#Cc1cc(F)ccc1S(=O)(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000594854578 673165694 /nfs/dbraw/zinc/16/56/94/673165694.db2.gz RHFYWDFWHLENCQ-OAHLLOKOSA-N 1 0 351.447 2.383 20 30 FEEDRO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000595107466 673194065 /nfs/dbraw/zinc/19/40/65/673194065.db2.gz FGTUUHRRBRSEEA-DZGCQCFKSA-N 1 0 361.492 2.454 20 30 FEEDRO N#Cc1ccc(CS(=O)(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)cc1 ZINC000595119838 673196900 /nfs/dbraw/zinc/19/69/00/673196900.db2.gz JJRAXJMTXUWASV-RTBURBONSA-N 1 0 355.463 2.123 20 30 FEEDRO C[C@@H](CN1CC[NH+](C)CC1)NC(=S)Nc1ccc(C#N)c(Cl)c1 ZINC000730157527 673264566 /nfs/dbraw/zinc/26/45/66/673264566.db2.gz UIPDOIBYWJFGDA-LBPRGKRZSA-N 1 0 351.907 2.134 20 30 FEEDRO C[C@H](NC(=O)N1CCN(c2ccsc2C#N)CC1)C(C)(C)C[NH+](C)C ZINC000595553851 673265702 /nfs/dbraw/zinc/26/57/02/673265702.db2.gz OVHKMBMNSFWXJK-AWEZNQCLSA-N 1 0 363.531 2.428 20 30 FEEDRO C[C@@H]1C[C@@H](NC(=O)N2CCN(c3ccsc3C#N)CC2)C[N@@H+]1C1CC1 ZINC000595553437 673265782 /nfs/dbraw/zinc/26/57/82/673265782.db2.gz HEPKZILDXADQEB-ZIAGYGMSSA-N 1 0 359.499 2.077 20 30 FEEDRO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=S)Nc2ccccc2C#N)CC1 ZINC000730467623 673282034 /nfs/dbraw/zinc/28/20/34/673282034.db2.gz HKCYHSZMBUVAMF-KRWDZBQOSA-N 1 0 357.527 2.357 20 30 FEEDRO C=CC[NH+]1CCC(Nc2ccc(S(=O)(=O)NCCC(C)C)cn2)CC1 ZINC000462827963 673284643 /nfs/dbraw/zinc/28/46/43/673284643.db2.gz XLPIQASNRQRCFM-UHFFFAOYSA-N 1 0 366.531 2.468 20 30 FEEDRO C=CCCSCCNC(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000595725748 673285855 /nfs/dbraw/zinc/28/58/55/673285855.db2.gz NSNHPGNBCQIHSW-DLBZAZTESA-N 1 0 355.548 2.363 20 30 FEEDRO Cc1cc(-n2c(C)cc(C=NNC(=S)NCCC[NH+](C)C)c2C)no1 ZINC000731928614 673348256 /nfs/dbraw/zinc/34/82/56/673348256.db2.gz LVIGYXRGYIRPCG-UHFFFAOYSA-N 1 0 362.503 2.140 20 30 FEEDRO COc1cc(C(C)=NNC(=S)NCCC[NH+](C)C)ccc1OC(F)F ZINC000731929610 673348265 /nfs/dbraw/zinc/34/82/65/673348265.db2.gz ZCFHDNVNVXKDSJ-UHFFFAOYSA-N 1 0 374.457 2.436 20 30 FEEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+][C@@H]2[C@H]3Cc4cc(F)ccc4[C@@H]23)c1 ZINC000596065995 673355244 /nfs/dbraw/zinc/35/52/44/673355244.db2.gz LNKUDWJZXXHERR-IPMKNSEASA-N 1 0 356.422 2.399 20 30 FEEDRO C=CCc1ccccc1OC[C@H](O)CN1C[C@@H](SC)[C@H]([NH+](C)C)C1 ZINC000537288898 673385607 /nfs/dbraw/zinc/38/56/07/673385607.db2.gz DLUHHEXPOFSOBT-ZHALLVOQSA-N 1 0 350.528 2.132 20 30 FEEDRO CS(=O)(=O)CCN[NH+]=Cc1cc2ccccc2nc1N1CCCCC1 ZINC000733204246 673403147 /nfs/dbraw/zinc/40/31/47/673403147.db2.gz OSRTYZAAHLJHSR-UHFFFAOYSA-N 1 0 360.483 2.193 20 30 FEEDRO N#Cc1csc(C[N@H+]2C[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3C2)c1 ZINC000597178684 673453760 /nfs/dbraw/zinc/45/37/60/673453760.db2.gz ABPJQMJZCHLMNS-CALCHBBNSA-N 1 0 351.431 2.237 20 30 FEEDRO Cn1cc([C@H]([NH2+]CCS(=O)(=O)c2cccc(C#N)c2)C(C)(C)C)cn1 ZINC000539378755 673486807 /nfs/dbraw/zinc/48/68/07/673486807.db2.gz FWMQBFIOIDJMOZ-KRWDZBQOSA-N 1 0 360.483 2.442 20 30 FEEDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)Cc1ccc(Br)cc1C#N ZINC000597698170 673500288 /nfs/dbraw/zinc/50/02/88/673500288.db2.gz GPQHJFMTUWKFJN-ABAIWWIYSA-N 1 0 350.260 2.414 20 30 FEEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1S[C@H]1CCCN(C)C1=O ZINC000539805249 673507332 /nfs/dbraw/zinc/50/73/32/673507332.db2.gz WMHCCCDOJSBCPQ-HNNXBMFYSA-N 1 0 363.531 2.205 20 30 FEEDRO C[N@@H+](C[C@H](c1cccs1)N1CCOCC1)C[C@@H](O)CC(C)(C)C#N ZINC000598588413 673587135 /nfs/dbraw/zinc/58/71/35/673587135.db2.gz LKXAPGGHIALHLB-JKSUJKDBSA-N 1 0 351.516 2.354 20 30 FEEDRO N#Cc1cc(S(=O)(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)ccc1C(F)(F)F ZINC000598723803 673603373 /nfs/dbraw/zinc/60/33/73/673603373.db2.gz HSJHOMXNPCISSM-FZMZJTMJSA-N 1 0 359.373 2.079 20 30 FEEDRO CCOC(=O)C1([N@H+](C)C[C@H](O)CC2(C#N)CCOCC2)CCCCC1 ZINC000599330473 673660122 /nfs/dbraw/zinc/66/01/22/673660122.db2.gz ADTJGKUSMRHOOU-MRXNPFEDSA-N 1 0 352.475 2.256 20 30 FEEDRO CC(C)OC(=O)C[C@H]1CCC[N@H+](C[C@H](O)CC2(C#N)CCOCC2)C1 ZINC000599360863 673663872 /nfs/dbraw/zinc/66/38/72/673663872.db2.gz RIWQLXSDZWPLOU-IAGOWNOFSA-N 1 0 352.475 2.111 20 30 FEEDRO CO[C@@]1(C(F)(F)F)CCC[N@H+](C[C@@H](O)CC2(C#N)CCOCC2)C1 ZINC000599380858 673666917 /nfs/dbraw/zinc/66/69/17/673666917.db2.gz ZTKGSGUCCXXTQT-ZFWWWQNUSA-N 1 0 350.381 2.101 20 30 FEEDRO C[C@H]1CC(N=Nc2ccc(S(=O)(=O)NC(C)(C)C)cn2)CC[N@@H+]1C ZINC000741460334 673687523 /nfs/dbraw/zinc/68/75/23/673687523.db2.gz NPWLKDUGKDRHJH-LBPRGKRZSA-N 1 0 353.492 2.040 20 30 FEEDRO CN(CCC#N)C(=O)CC[NH2+][C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC000599544078 673690152 /nfs/dbraw/zinc/69/01/52/673690152.db2.gz IDLUAHHZAGCMJS-CZUORRHYSA-N 1 0 355.360 2.273 20 30 FEEDRO CC(C)N(CC(F)(F)F)C(=O)CO[NH+]=C(N)c1ccc(N(C)C)cc1 ZINC000742354503 673724951 /nfs/dbraw/zinc/72/49/51/673724951.db2.gz OQJJZMQQOBJURD-UHFFFAOYSA-N 1 0 360.380 2.189 20 30 FEEDRO C[C@]1(C[NH2+]C[C@@H](O)COc2ccccc2C#N)OCCc2sccc21 ZINC000600739762 673795414 /nfs/dbraw/zinc/79/54/14/673795414.db2.gz FHHGBUFMBZCZLM-DNVCBOLYSA-N 1 0 358.463 2.437 20 30 FEEDRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+]C[C@@H](O)CC2(C#N)CC2)c1 ZINC000600736817 673795587 /nfs/dbraw/zinc/79/55/87/673795587.db2.gz RISAANHBMCSARV-AWEZNQCLSA-N 1 0 356.875 2.278 20 30 FEEDRO N#CC1(C[C@@H](O)C[NH2+]C[C@H](CO)Cc2ccc(Br)cc2)CC1 ZINC000600744145 673795849 /nfs/dbraw/zinc/79/58/49/673795849.db2.gz ARBFELTXQZCRRF-GDBMZVCRSA-N 1 0 367.287 2.244 20 30 FEEDRO N#CC1(C[C@H](O)C[NH2+]C[C@@H](CO)Cc2cccc(Br)c2)CC1 ZINC000600745886 673796337 /nfs/dbraw/zinc/79/63/37/673796337.db2.gz IDCMNZYTWONKIY-HOCLYGCPSA-N 1 0 367.287 2.244 20 30 FEEDRO CN(CCC#N)C[C@@H](O)C[NH2+]Cc1ccc(Br)c(F)c1F ZINC000600754720 673796507 /nfs/dbraw/zinc/79/65/07/673796507.db2.gz BWQOFSKNVYXYPV-NSHDSACASA-N 1 0 362.218 2.023 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N2CCC([C@](C)(O)C(F)(F)F)CC2)CC1 ZINC000547343709 673844719 /nfs/dbraw/zinc/84/47/19/673844719.db2.gz XPWBGSOFIRWPQE-INIZCTEOSA-N 1 0 363.424 2.372 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N[C@H]2CC[C@H](C[NH3+])CC2)cc1C(F)(F)F ZINC000601346846 673845979 /nfs/dbraw/zinc/84/59/79/673845979.db2.gz AAUQUFGZERMBTF-UMSPYCQHSA-N 1 0 361.389 2.373 20 30 FEEDRO N#Cc1cc(S(=O)(=O)N[C@H]2CC[C@H](C[NH3+])CC2)ccc1C(F)(F)F ZINC000601347917 673846271 /nfs/dbraw/zinc/84/62/71/673846271.db2.gz PNHZZLMBRKFFDX-UMSPYCQHSA-N 1 0 361.389 2.373 20 30 FEEDRO Cc1cc(S(=O)(=O)N2CCCN(c3cc[nH+]cc3)CC2)ccc1C#N ZINC000601517178 673875526 /nfs/dbraw/zinc/87/55/26/673875526.db2.gz DGMAMZFHFMFTQF-UHFFFAOYSA-N 1 0 356.451 2.163 20 30 FEEDRO COc1cc(C#N)ccc1S(=O)(=O)N1CC[C@@H](C[NH3+])c2ccccc21 ZINC000601921867 673899867 /nfs/dbraw/zinc/89/98/67/673899867.db2.gz PZAIOUSNTAGVOD-AWEZNQCLSA-N 1 0 357.435 2.208 20 30 FEEDRO C[C@H](CC[NH+]1CCN(C)CC1)Nc1cc(C#N)c(Br)cn1 ZINC000603345229 673925569 /nfs/dbraw/zinc/92/55/69/673925569.db2.gz ZIYHOOITRKHMLW-GFCCVEGCSA-N 1 0 352.280 2.154 20 30 FEEDRO Cc1ncc(S(=O)(=O)N2CCCC[C@H]2[C@H](C)C[NH+](C)C)cc1C#N ZINC000603390452 673928833 /nfs/dbraw/zinc/92/88/33/673928833.db2.gz KCOKGFHSIJIABU-DYVFJYSZSA-N 1 0 350.488 2.003 20 30 FEEDRO C[C@@H]1COCC[N@@H+]1C1CCN(c2ncc(Br)cc2C#N)CC1 ZINC000603402204 673929814 /nfs/dbraw/zinc/92/98/14/673929814.db2.gz OTJLQOMLQNBDFE-GFCCVEGCSA-N 1 0 365.275 2.405 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000818589122 675226475 /nfs/dbraw/zinc/22/64/75/675226475.db2.gz RPKVOOOFCOINBX-UHFFFAOYSA-N 1 0 358.423 2.403 20 30 FEEDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C ZINC000819031992 675254016 /nfs/dbraw/zinc/25/40/16/675254016.db2.gz BDKFFFCCJBEHOD-HUUCEWRRSA-N 1 0 352.479 2.174 20 30 FEEDRO N#Cc1ccc(CNC(=O)N2CCC(OCC[NH+]3CCCC3)CC2)s1 ZINC000567039992 675262301 /nfs/dbraw/zinc/26/23/01/675262301.db2.gz SULSSCOZWODWLO-UHFFFAOYSA-N 1 0 362.499 2.406 20 30 FEEDRO N#C[C@@]1(F)CCN(CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C1 ZINC000615647497 676222923 /nfs/dbraw/zinc/22/29/23/676222923.db2.gz YYPYXCZLUQMGIF-SFHVURJKSA-N 1 0 362.474 2.111 20 30 FEEDRO C#CCN(CC(=O)NC[C@@H](C)C[NH+]1CCCCC1)C(=O)OC(C)(C)C ZINC000822874962 675513030 /nfs/dbraw/zinc/51/30/30/675513030.db2.gz UQIBYZKJKOPMIK-MRXNPFEDSA-N 1 0 351.491 2.095 20 30 FEEDRO CC(C)[C@@H](C[NH+](C)C)NC(=O)COc1cccc(Br)c1C#N ZINC000825890933 675672959 /nfs/dbraw/zinc/67/29/59/675672959.db2.gz BASAERHEZHAWJY-CQSZACIVSA-N 1 0 368.275 2.402 20 30 FEEDRO C=CCN1C(=S)N=NC1c1sc(NC(=O)[C@@H]2CC[NH2+][C@@H]2C)nc1C ZINC000826532770 675690556 /nfs/dbraw/zinc/69/05/56/675690556.db2.gz YAMCZEOIRVJIMW-PSASIEDQSA-N 1 0 364.500 2.121 20 30 FEEDRO Cc1nc(N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)c(Cl)cc1C#N ZINC000603423177 675799139 /nfs/dbraw/zinc/79/91/39/675799139.db2.gz MVVUCUBJIOUJPB-INIZCTEOSA-N 1 0 363.893 2.124 20 30 FEEDRO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000603909463 675802025 /nfs/dbraw/zinc/80/20/25/675802025.db2.gz AMWVTMJLUKDUMX-MCIONIFRSA-N 1 0 358.511 2.367 20 30 FEEDRO C#CC[C@H]1CCC[N@@H+](CC(=O)N(C)CC(=O)Nc2ccccc2Cl)C1 ZINC000829774370 675890117 /nfs/dbraw/zinc/89/01/17/675890117.db2.gz PKOIDFGFAGPWTE-HNNXBMFYSA-N 1 0 361.873 2.472 20 30 FEEDRO C[NH+](C)C1CCN(CCNC(=O)NCc2ccc(C#N)c(Cl)c2)CC1 ZINC000619820193 676396226 /nfs/dbraw/zinc/39/62/26/676396226.db2.gz WBBMWSUNZFGQHB-UHFFFAOYSA-N 1 0 363.893 2.037 20 30 FEEDRO C[C@@H]1CN(C(=O)NCc2ccc(C#N)c(Cl)c2)CC[N@@H+]1CC(C)(C)O ZINC000619827034 676396517 /nfs/dbraw/zinc/39/65/17/676396517.db2.gz RQIOYHWCCOOPCE-CYBMUJFWSA-N 1 0 364.877 2.198 20 30 FEEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000627477792 676756121 /nfs/dbraw/zinc/75/61/21/676756121.db2.gz BNLBIDVWFSIILJ-RYUDHWBXSA-N 1 0 355.891 2.173 20 30 FEEDRO CN(C)C(=O)O[C@H]1CCC[N@H+](CCC(=O)Nc2sccc2C#N)C1 ZINC000830568870 677048133 /nfs/dbraw/zinc/04/81/33/677048133.db2.gz LLVUBQKKBWVAAV-ZDUSSCGKSA-N 1 0 350.444 2.111 20 30 FEEDRO C=CC[C@]1(C(=O)NC[C@H](C)c2ccc(S(C)(=O)=O)cc2)CCC[NH2+]1 ZINC000639017499 677152845 /nfs/dbraw/zinc/15/28/45/677152845.db2.gz HLZICTJTGVCAQU-KBXCAEBGSA-N 1 0 350.484 2.008 20 30 FEEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000643477279 677226997 /nfs/dbraw/zinc/22/69/97/677226997.db2.gz SMWDVICIHVSNCJ-OCCSQVGLSA-N 1 0 367.902 2.127 20 30 FEEDRO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)Nc1cccc(C#Cc2cccs2)c1 ZINC000647493857 677302088 /nfs/dbraw/zinc/30/20/88/677302088.db2.gz CFVYLAVGDRKHIO-KBPBESRZSA-N 1 0 355.463 2.328 20 30 FEEDRO C=CCNc1ncc(C(=O)NC[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)s1 ZINC000649235359 677328049 /nfs/dbraw/zinc/32/80/49/677328049.db2.gz NHWUSVKKMNWMEC-CVEARBPZSA-N 1 0 356.495 2.816 20 30 FEEDRO C#C[C@H](NC(=O)NC[C@@H](c1ccc(SC)cc1)[NH+](C)C)[C@H]1CCCO1 ZINC000838560223 680701627 /nfs/dbraw/zinc/70/16/27/680701627.db2.gz UVSWBPDYUNOBFJ-OKZBNKHCSA-N 1 0 361.511 2.491 20 30 FEEDRO C=CCC1([NH2+]CC(=O)Nc2ccc(C)c(S(=O)(=O)NC)c2)CCCC1 ZINC000661862893 678543749 /nfs/dbraw/zinc/54/37/49/678543749.db2.gz IHBHUCRFORDVPS-UHFFFAOYSA-N 1 0 365.499 2.320 20 30 FEEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N1CCN(C(=O)c2cccs2)CC1 ZINC000662080651 678575099 /nfs/dbraw/zinc/57/50/99/678575099.db2.gz PIBGYLUNAXQVHD-IYBDPMFKSA-N 1 0 359.495 2.216 20 30 FEEDRO C=CCN1CCN(C[N@H+]2CCC[C@@H](C(=O)NCCCCCC)C2)C1=O ZINC000839980720 680791382 /nfs/dbraw/zinc/79/13/82/680791382.db2.gz CKQYYFHRBMHYNC-QGZVFWFLSA-N 1 0 350.507 2.276 20 30 FEEDRO C=CC[C@]1(C(=O)N2CCN(C(=O)c3cccc(Cl)c3)CC2)CCC[NH2+]1 ZINC000662465179 678624888 /nfs/dbraw/zinc/62/48/88/678624888.db2.gz UPBMJLYZKRPRBR-LJQANCHMSA-N 1 0 361.873 2.323 20 30 FEEDRO C=CC[C@@]1(C(=O)Nc2ccc(S(=O)(=O)NCC3CC3)cc2)CCC[NH2+]1 ZINC000662483940 678628129 /nfs/dbraw/zinc/62/81/29/678628129.db2.gz PFHAIGMEQLYIRQ-SFHVURJKSA-N 1 0 363.483 2.012 20 30 FEEDRO C#CC[C@]1(C(=O)N[C@@H](C)CC[NH+](C)C)CCCN1C(=O)OC(C)(C)C ZINC000764509610 680812414 /nfs/dbraw/zinc/81/24/14/680812414.db2.gz VRHJRKAVHYAWCU-HNAYVOBHSA-N 1 0 351.491 2.236 20 30 FEEDRO C=CCN(C(=O)NCC1CC[NH+](C2CCOCC2)CC1)[C@@H](C)COC ZINC000665461992 678961297 /nfs/dbraw/zinc/96/12/97/678961297.db2.gz BWGZBXHKVQWLOD-INIZCTEOSA-N 1 0 353.507 2.110 20 30 FEEDRO CC[NH2+][C@H](C)CNC(=O)C(=O)Nc1cccc(C#Cc2cccs2)c1 ZINC000667562357 679113407 /nfs/dbraw/zinc/11/34/07/679113407.db2.gz NZRRMQCVIRZGAX-CQSZACIVSA-N 1 0 355.463 2.201 20 30 FEEDRO CC(CSc1ccccc1[N+](=O)[O-])=NNC(=S)NCCC[NH+](C)C ZINC000765576683 680846978 /nfs/dbraw/zinc/84/69/78/680846978.db2.gz PIIDBTMNWYJRTK-UHFFFAOYSA-N 1 0 369.516 2.479 20 30 FEEDRO C#CCCCS(=O)(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000840945682 680855685 /nfs/dbraw/zinc/85/56/85/680855685.db2.gz UWGHOSSSIURSCR-UHFFFAOYSA-N 1 0 361.511 2.374 20 30 FEEDRO C#CC[N@H+]1CCC[C@H]1COC(=O)[C@H](CC(F)F)NC(=O)OC(C)(C)C ZINC000765942973 680860418 /nfs/dbraw/zinc/86/04/18/680860418.db2.gz ULRPHHPPWTUGPI-STQMWFEESA-N 1 0 360.401 2.176 20 30 FEEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)Nc1ccc(N2CCSCC2)c(Cl)c1 ZINC000841093979 680862872 /nfs/dbraw/zinc/86/28/72/680862872.db2.gz WLBCQBAAJRBJIS-RISCZKNCSA-N 1 0 365.890 2.126 20 30 FEEDRO C#CCNC(=O)C1CC[NH+](CCCc2nc(-c3cccs3)no2)CC1 ZINC000747820257 679905335 /nfs/dbraw/zinc/90/53/35/679905335.db2.gz QXDWHMABBICZPB-UHFFFAOYSA-N 1 0 358.467 2.192 20 30 FEEDRO C=C(Cl)C(C)(C)C(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C)[C@@H]2C1 ZINC000974445007 679944238 /nfs/dbraw/zinc/94/42/38/679944238.db2.gz OSCFUJFLGQWAEM-OWCLPIDISA-N 1 0 367.921 2.309 20 30 FEEDRO OCCCC[NH+]1CCN(CC#Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000749366995 680043532 /nfs/dbraw/zinc/04/35/32/680043532.db2.gz YJQNVCCKUKBKGC-UHFFFAOYSA-N 1 0 356.388 2.327 20 30 FEEDRO COc1ccc(C(C)=NNS(=O)(=O)C(C)C)cc1C[NH+]1CCCC1 ZINC000749743998 680071108 /nfs/dbraw/zinc/07/11/08/680071108.db2.gz AOKIFRDYEJXSST-UHFFFAOYSA-N 1 0 353.488 2.343 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H](C[N@@H+](C)Cc2snnc2C)C1 ZINC001017211392 680072929 /nfs/dbraw/zinc/07/29/29/680072929.db2.gz ABUYICATZCSWTN-XHSDSOJGSA-N 1 0 364.515 2.108 20 30 FEEDRO NS(=O)(=O)c1ccc(N=NC2CCCC[C@@H]2[NH+]2CCCCCC2)nc1 ZINC000749809163 680076656 /nfs/dbraw/zinc/07/66/56/680076656.db2.gz BHJXLVSKVXWERR-INIZCTEOSA-N 1 0 365.503 2.316 20 30 FEEDRO C=C(C)C[N@@H+]1CC[C@]2(NC(=O)[C@@H]3OCCO[C@@H]3C(F)(F)F)CCC[C@@H]12 ZINC000991383711 680080101 /nfs/dbraw/zinc/08/01/01/680080101.db2.gz IYHIUPLWKUXEAU-HGTKMLMNSA-N 1 0 362.392 2.022 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2c(C)nn(C)c2Cl)C1 ZINC001018865286 680084440 /nfs/dbraw/zinc/08/44/40/680084440.db2.gz ICQNQAOVGXEBMB-LZWOXQAQSA-N 1 0 366.893 2.054 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]([NH2+]C[C@@H](O)c2ccccc2Cl)C1 ZINC001019405390 680092031 /nfs/dbraw/zinc/09/20/31/680092031.db2.gz FJOPJGAXYHIRSL-NZPGVSJUSA-N 1 0 364.873 2.155 20 30 FEEDRO C=CCCC[C@@H]([NH3+])C(=O)Nc1cc(S(=O)(=O)N(C)C)cc(C)c1C ZINC000912113011 685315481 /nfs/dbraw/zinc/31/54/81/685315481.db2.gz KVCLQIYHYMALMM-OAHLLOKOSA-N 1 0 353.488 2.176 20 30 FEEDRO C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[C@@H]2N2CCCC2=O)C1 ZINC001022225532 680203848 /nfs/dbraw/zinc/20/38/48/680203848.db2.gz IPXAKRBKWOZGCE-QXSJWSMHSA-N 1 0 353.894 2.157 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[N@@H+](C[C@H](OC)C2CCC2)CC1 ZINC000981189965 680219569 /nfs/dbraw/zinc/21/95/69/680219569.db2.gz IONGTOWIGVLIIV-QYZOEREBSA-N 1 0 350.503 2.317 20 30 FEEDRO C=C(Cl)C(C)(C)C(=O)N1C[C@@H]2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001022721362 680232422 /nfs/dbraw/zinc/23/24/22/680232422.db2.gz QIHCXXWYAPDBHR-VNQPRFMTSA-N 1 0 367.921 2.166 20 30 FEEDRO Cc1cc(C(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)c2cc(Br)ccc2n1 ZINC000834494867 680234916 /nfs/dbraw/zinc/23/49/16/680234916.db2.gz QHCVSICGMWDHCX-MEBBXXQBSA-N 1 0 359.227 2.147 20 30 FEEDRO CC[NH+](CC)CC#C[C@@H](C)OC(=O)c1c(Br)nc2n1CCC2 ZINC000835232694 680309263 /nfs/dbraw/zinc/30/92/63/680309263.db2.gz WBMLEGHTWTZWEJ-GFCCVEGCSA-N 1 0 368.275 2.482 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]Cc1ncc(Cl)n1C ZINC001025090663 680313199 /nfs/dbraw/zinc/31/31/99/680313199.db2.gz NAVPLMCDTNBLQK-KFWWJZLASA-N 1 0 366.893 2.135 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]Cc1cc(OC)ns1 ZINC001025090900 680313204 /nfs/dbraw/zinc/31/32/04/680313204.db2.gz SWNBHHXYDKEWCQ-BMFZPTHFSA-N 1 0 365.499 2.214 20 30 FEEDRO N#Cc1ccc(OCC(=O)O[C@H]2CCN(CCF)C2)cc1Br ZINC000835370798 680324409 /nfs/dbraw/zinc/32/44/09/680324409.db2.gz KHNMSOAEPUFASO-ZDUSSCGKSA-N 1 0 371.206 2.287 20 30 FEEDRO C=C(Cl)C(C)(C)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)C2 ZINC000998630469 680386245 /nfs/dbraw/zinc/38/62/45/680386245.db2.gz LIOCTJUOOLLAJM-WCVJEAGWSA-N 1 0 367.921 2.355 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC([C@H](C)[NH2+]Cc2csnn2)CC1 ZINC001029156757 680387563 /nfs/dbraw/zinc/38/75/63/680387563.db2.gz NQISVACKLSKUPU-JQFCIGGWSA-N 1 0 364.515 2.236 20 30 FEEDRO Cc1ccc([C@@H](CNc2cccc(S(N)(=O)=O)c2C#N)[NH+](C)C)cc1 ZINC000754988226 680392444 /nfs/dbraw/zinc/39/24/44/680392444.db2.gz DNYUFTLOERNGHI-QGZVFWFLSA-N 1 0 358.467 2.229 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(C[N@@H+](C)C[C@@H]2CCCOC2)CC1 ZINC001029998593 680396257 /nfs/dbraw/zinc/39/62/57/680396257.db2.gz YQXXEFKMAIQYCE-OTWHNJEPSA-N 1 0 350.503 2.175 20 30 FEEDRO C=C(Br)C[NH2+]C1CC(N(C)C(=O)[C@@H]2CCO[C@H]2C2CC2)C1 ZINC000999144624 680396293 /nfs/dbraw/zinc/39/62/93/680396293.db2.gz AOSOOJIIJZIIEI-CVSAEHQPSA-N 1 0 357.292 2.289 20 30 FEEDRO C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCO[C@H]2c2cnn(C)c2)C1 ZINC000999391162 680401557 /nfs/dbraw/zinc/40/15/57/680401557.db2.gz ISPBECZVSZOMDW-BBWFWOEESA-N 1 0 366.893 2.221 20 30 FEEDRO C=C(Br)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2cnn(C)c2)C1 ZINC001000261419 680425633 /nfs/dbraw/zinc/42/56/33/680425633.db2.gz MMXKJAOIJYSBGA-QLFBSQMISA-N 1 0 367.291 2.013 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)NCCc1ccc(Br)s1 ZINC000836204789 680435093 /nfs/dbraw/zinc/43/50/93/680435093.db2.gz OWOWFFKQEYVNCX-UHFFFAOYSA-N 1 0 358.305 2.307 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1C[N@H+](CC2CC(C)(C)C2)CCO1 ZINC001035370053 680445089 /nfs/dbraw/zinc/44/50/89/680445089.db2.gz GCWYLFWXYIXFFJ-KSZLIROESA-N 1 0 350.503 2.221 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)NCc1nc(-c2ccc(Cl)cc2)no1 ZINC000836305507 680448053 /nfs/dbraw/zinc/44/80/53/680448053.db2.gz FAZRQAGOQBCULY-UHFFFAOYSA-N 1 0 361.833 2.144 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@]2(C1)CCC[N@@H+](CCOC)C2 ZINC001040444915 680472334 /nfs/dbraw/zinc/47/23/34/680472334.db2.gz XUNTXGDSZQHHPB-CMKODMSKSA-N 1 0 350.503 2.319 20 30 FEEDRO C#CCOc1ccc(CNC(=O)NCC2(SC)CC[NH+](C)CC2)cc1 ZINC000836461451 680472967 /nfs/dbraw/zinc/47/29/67/680472967.db2.gz HJFVKMMNBYSBFK-UHFFFAOYSA-N 1 0 361.511 2.325 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)NCC1CC[NH+](C[C@@H]2CC(C)(C)CO2)CC1 ZINC001001851976 680478370 /nfs/dbraw/zinc/47/83/70/680478370.db2.gz PDXRUYSNBBSLCB-KSZLIROESA-N 1 0 350.503 2.221 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)NCC1CC[NH+](C[C@@H](OC)C2CCC2)CC1 ZINC001001853085 680478616 /nfs/dbraw/zinc/47/86/16/680478616.db2.gz ZHEOHNZSFYUCQZ-CEXWTWQISA-N 1 0 350.503 2.221 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC(C3(C)OCCO3)CC2)CC1 ZINC000756695243 680492721 /nfs/dbraw/zinc/49/27/21/680492721.db2.gz XQBNDUFOBCJBHV-UHFFFAOYSA-N 1 0 351.491 2.212 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1CC[NH+](CC2CCOCC2)CC1 ZINC001005409546 680574564 /nfs/dbraw/zinc/57/45/64/680574564.db2.gz KOCQKALKNQUEEE-MOPGFXCFSA-N 1 0 350.503 2.317 20 30 FEEDRO C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1Nc1snc(Cl)c1C#N ZINC001043510687 680584941 /nfs/dbraw/zinc/58/49/41/680584941.db2.gz DICNMWMVIUIIEX-NTZNESFSSA-N 1 0 367.906 2.411 20 30 FEEDRO C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1Nc1nc(Cl)c(C#N)s1 ZINC001043512367 680584981 /nfs/dbraw/zinc/58/49/81/680584981.db2.gz NQGORRKZEQPGAK-GRYCIOLGSA-N 1 0 367.906 2.411 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1CC[NH+](CC[C@@H]2CCOC2)CC1 ZINC001006121965 680594239 /nfs/dbraw/zinc/59/42/39/680594239.db2.gz DJBPLJTZNYIGPZ-NEWSRXKRSA-N 1 0 350.503 2.317 20 30 FEEDRO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCCC[C@H]2Nc2ncc(C#N)cc2Cl)C1 ZINC001045497938 680632000 /nfs/dbraw/zinc/63/20/00/680632000.db2.gz NVFNWVKOCAWXDS-NUEKZKHPSA-N 1 0 361.877 2.398 20 30 FEEDRO C=C(Cl)C[NH+]1CCC2(CO[C@@H](CNC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)CC1 ZINC001045681260 680637999 /nfs/dbraw/zinc/63/79/99/680637999.db2.gz DYZBSDOZTLKEKM-VQHPVUNQSA-N 1 0 368.905 2.294 20 30 FEEDRO CS[C@H]1CN(C(=O)Nc2ccc(F)cc2OCC#N)C[C@@H]1[NH+](C)C ZINC000759992668 680674059 /nfs/dbraw/zinc/67/40/59/680674059.db2.gz IVLITRLFQYSHKH-ZFWWWQNUSA-N 1 0 352.435 2.237 20 30 FEEDRO Cc1c(Br)c(Cl)ncc1NC(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000841192259 680868485 /nfs/dbraw/zinc/86/84/85/680868485.db2.gz QCPIAMKPFDQYPL-APPZFPTMSA-N 1 0 358.627 2.039 20 30 FEEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)Nc1cc2ccccc2nc1Br ZINC000841215107 680869341 /nfs/dbraw/zinc/86/93/41/680869341.db2.gz JJMCTSBREBCSBR-GWCFXTLKSA-N 1 0 360.215 2.230 20 30 FEEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)Nc1cccc2cc(Br)cnc21 ZINC000841237018 680870509 /nfs/dbraw/zinc/87/05/09/680870509.db2.gz GCNFUNNNGVYERF-GWCFXTLKSA-N 1 0 360.215 2.230 20 30 FEEDRO N#Cc1ccc(NC(=O)C(=O)NCCCCCC[NH3+])cc1C(F)(F)F ZINC000843051249 680984803 /nfs/dbraw/zinc/98/48/03/680984803.db2.gz VSTGQUQAMFMOEB-UHFFFAOYSA-N 1 0 356.348 2.151 20 30 FEEDRO N#Cc1ccc(OC[C@H](O)C[NH2+]C[C@H](O)c2ccc(Cl)c(F)c2)cc1 ZINC000843096107 680987474 /nfs/dbraw/zinc/98/74/74/680987474.db2.gz XCOAZQSEHSOESO-KDOFPFPSSA-N 1 0 364.804 2.414 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[C@H](C[NH2+]Cc2cnns2)CC1 ZINC001050327743 681045082 /nfs/dbraw/zinc/04/50/82/681045082.db2.gz CVSDLLUJLLABBO-SRABZTEZSA-N 1 0 364.515 2.284 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)OCc2csc(N(C(C)=O)C3CC3)n2)CC1 ZINC000772113018 681086496 /nfs/dbraw/zinc/08/64/96/681086496.db2.gz IALYEICLWZBEFO-UHFFFAOYSA-N 1 0 361.467 2.047 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)OC[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000772112999 681086513 /nfs/dbraw/zinc/08/65/13/681086513.db2.gz HRPVPGNGYNDGRX-MRXNPFEDSA-N 1 0 350.459 2.274 20 30 FEEDRO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCN(c3nc(C#N)c(Cl)s3)C2)CC[N@@H+]1C ZINC001058573769 681173047 /nfs/dbraw/zinc/17/30/47/681173047.db2.gz WBHKGHIBWPKQFM-NTZNESFSSA-N 1 0 367.906 2.093 20 30 FEEDRO C#CCOc1ccc(Br)cc1C[NH2+]CC[C@]1(O)CCCOC1 ZINC000846110870 681184258 /nfs/dbraw/zinc/18/42/58/681184258.db2.gz PIJCIBYDIIZKJA-QGZVFWFLSA-N 1 0 368.271 2.482 20 30 FEEDRO Cc1nsc(NC[C@@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c1C#N ZINC001060101125 681195808 /nfs/dbraw/zinc/19/58/08/681195808.db2.gz RCZMSOYVABBESA-QLFBSQMISA-N 1 0 361.515 2.314 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]2C[N@H+]([C@@H](C)COC)C[C@H]2CC1 ZINC000946595127 681244692 /nfs/dbraw/zinc/24/46/92/681244692.db2.gz JTLCPCZNVXRJNH-QTMHVTGLSA-N 1 0 350.503 2.173 20 30 FEEDRO CC[N@H+](CCC(N)=O)CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000932480420 681253127 /nfs/dbraw/zinc/25/31/27/681253127.db2.gz AEEWPPDHEYRERF-UHFFFAOYSA-N 1 0 362.499 2.415 20 30 FEEDRO Cc1cc(Br)cc(C[NH2+]CCNC(=O)C2N=CC=CC2=O)c1 ZINC000774992577 681263931 /nfs/dbraw/zinc/26/39/31/681263931.db2.gz QHPNWBGAVKZLFF-FOCLMDBBSA-N 1 0 364.243 2.374 20 30 FEEDRO C=C(C)[C@H](CO)[NH+]1CCC2(CO[C@H](CNC(=O)OC(C)(C)C)C2)CC1 ZINC000932681061 681285826 /nfs/dbraw/zinc/28/58/26/681285826.db2.gz WQNKRORNDRZJLQ-HOTGVXAUSA-N 1 0 354.491 2.319 20 30 FEEDRO C#C[C@@H]([NH2+]Cc1cc(Br)c2c(c1)OCCO2)[C@@H]1CCCO1 ZINC000775341937 681299332 /nfs/dbraw/zinc/29/93/32/681299332.db2.gz OPHKAHADWQSTLI-KGLIPLIRSA-N 1 0 352.228 2.491 20 30 FEEDRO COC[C@@H](O)C[NH+]1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932945685 681333154 /nfs/dbraw/zinc/33/31/54/681333154.db2.gz DVXWJWJSRBZIKB-FXQIFTODSA-N 1 0 357.241 2.097 20 30 FEEDRO N#Cc1ccccc1-c1ccc(C[N@H+]2CC[C@@H](CS(N)(=O)=O)C2)cc1 ZINC000932953598 681335888 /nfs/dbraw/zinc/33/58/88/681335888.db2.gz YDPNKLYAYYGSLC-MRXNPFEDSA-N 1 0 355.463 2.336 20 30 FEEDRO COC(=O)N1CCC[C@H]([C@H](C)[NH2+]CCC(=O)Nc2sccc2C#N)C1 ZINC000775813128 681338505 /nfs/dbraw/zinc/33/85/05/681338505.db2.gz BKWUKRUWTMFFPZ-JSGCOSHPSA-N 1 0 364.471 2.405 20 30 FEEDRO C=C(C)[C@@H](CO)[N@@H+]1CCOC2(CCC(NC(=O)OC(C)(C)C)CC2)C1 ZINC000933827642 681472102 /nfs/dbraw/zinc/47/21/02/681472102.db2.gz BDMFJKUEVHTVIP-KOHRHEQBSA-N 1 0 354.491 2.462 20 30 FEEDRO CCOC(=O)C1([C@H](C)[NH2+]CCCC2(C#N)CCOCC2)CCOCC1 ZINC000933884185 681479321 /nfs/dbraw/zinc/47/93/21/681479321.db2.gz OTDDNDDLIPFOEK-INIZCTEOSA-N 1 0 352.475 2.425 20 30 FEEDRO C#CC[N@H+]1CCC[C@@H]1COC(=O)C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000777312581 681481418 /nfs/dbraw/zinc/48/14/18/681481418.db2.gz YUANKYUFQZPXDL-HZPDHXFCSA-N 1 0 350.459 2.417 20 30 FEEDRO CCN(CCC#N)C(=O)C[NH2+][C@@](C)(CO)c1cccc(Br)c1 ZINC000934496897 681579595 /nfs/dbraw/zinc/57/95/95/681579595.db2.gz DLSUHAMUQYCOEQ-INIZCTEOSA-N 1 0 368.275 2.008 20 30 FEEDRO CCOC(=O)Nc1ccc(NC(=O)N[C@H](C[NH3+])C(F)(F)F)cc1C#N ZINC000848597207 681587466 /nfs/dbraw/zinc/58/74/66/681587466.db2.gz HTXKNNCNMKAMHK-LLVKDONJSA-N 1 0 359.308 2.138 20 30 FEEDRO C=C(Cl)C(C)(C)C(=O)N1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC000949369490 681635643 /nfs/dbraw/zinc/63/56/43/681635643.db2.gz YXKWNTIDCFNRMS-BPLDGKMQSA-N 1 0 355.910 2.213 20 30 FEEDRO COCC1(C[NH+]=C(N(C)C)N(C)C)CCN(C(=O)OC(C)(C)C)CC1 ZINC000849003626 681647954 /nfs/dbraw/zinc/64/79/54/681647954.db2.gz WIVINHPTCDZZQA-UHFFFAOYSA-N 1 0 356.511 2.129 20 30 FEEDRO CCNC(NC[C@H](CO)Cc1ccc(F)c(Br)c1)=[NH+]CC ZINC000849109589 681654911 /nfs/dbraw/zinc/65/49/11/681654911.db2.gz ABTWOYZWCHVOHM-GFCCVEGCSA-N 1 0 360.271 2.314 20 30 FEEDRO C=CC1(CC(=O)N2CC[N@@H+](CC)[C@@H](C)C2)CN(C(=O)OC(C)(C)C)C1 ZINC000935070816 681682350 /nfs/dbraw/zinc/68/23/50/681682350.db2.gz KVYUWMDXSXTPDH-HNNXBMFYSA-N 1 0 351.491 2.352 20 30 FEEDRO C[NH+](C)CC#CCNC(=O)c1cnn(-c2ccccc2)c1C(F)(F)F ZINC000913516346 685479270 /nfs/dbraw/zinc/47/92/70/685479270.db2.gz LXLUSXBMKYGTOH-UHFFFAOYSA-N 1 0 350.344 2.186 20 30 FEEDRO Cc1cc(C#N)cc(C)c1CS(=O)(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000913942235 685489674 /nfs/dbraw/zinc/48/96/74/685489674.db2.gz FAJSBDSUPFQISU-UHFFFAOYSA-N 1 0 361.511 2.469 20 30 FEEDRO C[C@H]1CCC[N@@H+]1CCNS(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000780868269 681880468 /nfs/dbraw/zinc/88/04/68/681880468.db2.gz WAYRYZDNNBMRMT-NSHDSACASA-N 1 0 372.288 2.083 20 30 FEEDRO C#CCOc1ccc(Br)cc1C[NH2+]CCN(C)C(=O)OC ZINC000850388668 681895761 /nfs/dbraw/zinc/89/57/61/681895761.db2.gz JKDGDGIBNBDOFT-UHFFFAOYSA-N 1 0 355.232 2.249 20 30 FEEDRO C[C@H]([NH2+]CCNS(=O)(=O)Cc1ccccc1)c1ccc(C#N)cc1F ZINC000781420171 681933427 /nfs/dbraw/zinc/93/34/27/681933427.db2.gz IMISZJWHQUGZJH-AWEZNQCLSA-N 1 0 361.442 2.468 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH+]1CCC2(CNC(=O)O2)CC1 ZINC000781995490 681996106 /nfs/dbraw/zinc/99/61/06/681996106.db2.gz VXIHDYILKOOFRT-CQSZACIVSA-N 1 0 363.483 2.226 20 30 FEEDRO CC(C)(C#N)CS(=O)(=O)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000914361185 685505452 /nfs/dbraw/zinc/50/54/52/685505452.db2.gz INPNVUWDJCBMQZ-FGTMMUONSA-N 1 0 361.511 2.366 20 30 FEEDRO CC(C)(C#N)CS(=O)(=O)N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000914361188 685505460 /nfs/dbraw/zinc/50/54/60/685505460.db2.gz INPNVUWDJCBMQZ-RCCFBDPRSA-N 1 0 361.511 2.366 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(C)([NH2+]Cc2cc(OC)ns2)CC1 ZINC000940339363 682050118 /nfs/dbraw/zinc/05/01/18/682050118.db2.gz DCMNNEWKQIFPIJ-CABCVRRESA-N 1 0 365.499 2.214 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCc2ccns2)CC1(C)C ZINC000941046833 682097621 /nfs/dbraw/zinc/09/76/21/682097621.db2.gz NBOSCLJBDKRPFS-IKGGRYGDSA-N 1 0 363.527 2.493 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cnc(C)s3)C[C@H]21 ZINC000961994037 682105617 /nfs/dbraw/zinc/10/56/17/682105617.db2.gz IFQWOAVJEJEBBT-AVEIZBFRSA-N 1 0 361.511 2.369 20 30 FEEDRO CN(CCC[N@H+](C)Cc1ccco1)S(=O)(=O)Cc1csc(C#N)c1 ZINC000915632764 685516949 /nfs/dbraw/zinc/51/69/49/685516949.db2.gz VWPJDKSWZFWTNJ-UHFFFAOYSA-N 1 0 367.496 2.496 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CC(C[NH2+]Cc2ncc(Cl)n2C)C1 ZINC000962415714 682117725 /nfs/dbraw/zinc/11/77/25/682117725.db2.gz LFRMTCUIGYRPER-QKRUXVEJSA-N 1 0 366.893 2.039 20 30 FEEDRO O=C1Nc2cccc(Br)c2C1=NNCC[NH+]1CCCCC1 ZINC000915973456 685520022 /nfs/dbraw/zinc/52/00/22/685520022.db2.gz JDRFQVGFFGXCOH-UHFFFAOYSA-N 1 0 351.248 2.181 20 30 FEEDRO N#Cc1ccc(C[NH2+]C2CC3(CC(NC(=O)[C@]45C[C@H]4COC5)C3)C2)s1 ZINC000963823378 682147591 /nfs/dbraw/zinc/14/75/91/682147591.db2.gz HTPPNRULHUUJDD-UXITULPLSA-N 1 0 357.479 2.173 20 30 FEEDRO C#C[C@@](C)(CC)[NH2+]CC(=O)Nc1cccc(C(=O)N2CCSCC2)c1 ZINC000852101227 682220021 /nfs/dbraw/zinc/22/00/21/682220021.db2.gz NNYUEFGTHFTAHT-IBGZPJMESA-N 1 0 359.495 2.206 20 30 FEEDRO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+](C)CC(C)(C)NC(=O)OC(C)(C)C ZINC000852307074 682257408 /nfs/dbraw/zinc/25/74/08/682257408.db2.gz PVIHWBHZCAZTRM-ZDUSSCGKSA-N 1 0 352.479 2.172 20 30 FEEDRO C[C@H](C#N)OCC[NH+]1CCC([C@H]2CCCN(C(=O)C(F)(F)F)C2)CC1 ZINC000852599826 682306335 /nfs/dbraw/zinc/30/63/35/682306335.db2.gz BHKYMXGCSXMVCX-HIFRSBDPSA-N 1 0 361.408 2.428 20 30 FEEDRO C#C[C@H](NC(=O)NCC1([NH+]2CCSCC2)CCCC1)C1CCOCC1 ZINC000852644263 682312508 /nfs/dbraw/zinc/31/25/08/682312508.db2.gz MHIQFEBSOXYLDJ-KRWDZBQOSA-N 1 0 365.543 2.076 20 30 FEEDRO CC(=NNC(=S)NC1CC[NH+](Cc2ccccc2)CC1)c1c[nH]cn1 ZINC000853267454 682400100 /nfs/dbraw/zinc/40/01/00/682400100.db2.gz QMVLNPHMZOADQB-UHFFFAOYSA-N 1 0 356.499 2.262 20 30 FEEDRO C=C(Cl)C(C)(C)C(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@@H]2C1 ZINC000972417781 682414024 /nfs/dbraw/zinc/41/40/24/682414024.db2.gz LRLJSMRGWOSIBT-DTZQCDIJSA-N 1 0 367.921 2.165 20 30 FEEDRO C=C(Cl)C(C)(C)C(=O)N1CC[C@@H]2CN(C(=O)[C@@H](CC)[NH+](C)C)[C@@H]2C1 ZINC000972967513 682439643 /nfs/dbraw/zinc/43/96/43/682439643.db2.gz XHCASKRYISJCJY-RBSFLKMASA-N 1 0 355.910 2.165 20 30 FEEDRO CCOC(=O)[C@H]1[C@@H]([NH2+]CC2(CC#N)CC2)CCN1C(=O)OC(C)(C)C ZINC000788804977 682557921 /nfs/dbraw/zinc/55/79/21/682557921.db2.gz ZCNLSWWPWNCOHK-UONOGXRCSA-N 1 0 351.447 2.211 20 30 FEEDRO CCOC(=O)[C@@H]1[C@H]([NH2+]CC2(CC#N)CC2)CCN1C(=O)OC(C)(C)C ZINC000788804976 682558046 /nfs/dbraw/zinc/55/80/46/682558046.db2.gz ZCNLSWWPWNCOHK-KGLIPLIRSA-N 1 0 351.447 2.211 20 30 FEEDRO C#CCCCS(=O)(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000791419139 682741794 /nfs/dbraw/zinc/74/17/94/682741794.db2.gz WKDBJKFOTHCBCE-GOSISDBHSA-N 1 0 350.484 2.165 20 30 FEEDRO C=CCOc1c(Cl)cc(C[NH2+]C[C@@H](O)c2cnn(C)c2)cc1OC ZINC000858145843 682938356 /nfs/dbraw/zinc/93/83/56/682938356.db2.gz HGYWQXPFEKTVEE-OAHLLOKOSA-N 1 0 351.834 2.470 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)[C@H](C)N(CC)C(=O)OC(C)(C)C)CC1 ZINC000859524923 683123092 /nfs/dbraw/zinc/12/30/92/683123092.db2.gz MOSJUTIUIDDPJY-HNNXBMFYSA-N 1 0 351.491 2.236 20 30 FEEDRO C[C@@H](C#N)OCC[NH2+][C@]1(CO)CCc2cc(Br)ccc2C1 ZINC000859574790 683130799 /nfs/dbraw/zinc/13/07/99/683130799.db2.gz RJHQTGPGAAHYET-BLLLJJGKSA-N 1 0 353.260 2.187 20 30 FEEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1C[C@H]([NH3+])C(C)(C)C1 ZINC000927854284 683326669 /nfs/dbraw/zinc/32/66/69/683326669.db2.gz LTQMXSVXWKJRBB-WFASDCNBSA-N 1 0 360.483 2.215 20 30 FEEDRO C=C(C[NH+](C)C)C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C(F)(F)F ZINC000928121993 683398826 /nfs/dbraw/zinc/39/88/26/683398826.db2.gz MTBCWLABKZACRW-HZPDHXFCSA-N 1 0 355.404 2.283 20 30 FEEDRO C=CCN1CC[C@H]([N@H+](C)C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1=O ZINC000798956582 683408278 /nfs/dbraw/zinc/40/82/78/683408278.db2.gz DTBBUXFWLBOCET-HOTGVXAUSA-N 1 0 351.491 2.352 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)CSCc2cn3cc(C)ccc3n2)CC1 ZINC000928659160 683482991 /nfs/dbraw/zinc/48/29/91/683482991.db2.gz GCVDYOAXBRHITG-UHFFFAOYSA-N 1 0 356.495 2.090 20 30 FEEDRO C=CC1CC[NH+](C[C@@H]2CC3(CN(C(=O)OC(C)(C)C)C3)C(=O)O2)CC1 ZINC000929617408 683617707 /nfs/dbraw/zinc/61/77/07/683617707.db2.gz ICITWKBRQUCQJN-HNNXBMFYSA-N 1 0 350.459 2.437 20 30 FEEDRO C#CC[C@H](CCOC)[NH2+]C[C@H](O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000863588754 683746756 /nfs/dbraw/zinc/74/67/56/683746756.db2.gz FPFQDAQVJXDAOJ-SJORKVTESA-N 1 0 354.491 2.012 20 30 FEEDRO C=C(Cl)C[C@H]1NC(=O)N(Cc2cccc(OCC[NH+](C)C)c2)C1=O ZINC000865299663 683963996 /nfs/dbraw/zinc/96/39/96/683963996.db2.gz YHKVXBZKPGVODV-OAHLLOKOSA-N 1 0 351.834 2.190 20 30 FEEDRO N#Cc1ccccc1CSCC[NH2+]Cc1cn(C[C@H]2CCCO2)nn1 ZINC000865405332 683979527 /nfs/dbraw/zinc/97/95/27/683979527.db2.gz GRECHZPPHQNQBJ-GOSISDBHSA-N 1 0 357.483 2.352 20 30 FEEDRO C=CCOc1ccc(C[NH2+]C[C@]23COC(=O)N2CCOC3)cc1Cl ZINC000865770135 684026054 /nfs/dbraw/zinc/02/60/54/684026054.db2.gz OMQDKPLNWNVPII-KRWDZBQOSA-N 1 0 352.818 2.216 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)Nc2ccc(C)c(Br)n2)CC1 ZINC000931321926 684261217 /nfs/dbraw/zinc/26/12/17/684261217.db2.gz KEZBQEYIDKUTRI-UHFFFAOYSA-N 1 0 351.248 2.372 20 30 FEEDRO C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)CC[C@@H]1C[NH3+] ZINC000923704854 684336672 /nfs/dbraw/zinc/33/66/72/684336672.db2.gz VAABOBZKULWDKU-GHMZBOCLSA-N 1 0 361.389 2.182 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2C[C@H](CC[NH3+])Cc3ccccc32)cc1F ZINC000923748348 684346434 /nfs/dbraw/zinc/34/64/34/684346434.db2.gz LUSWIDXPEQFUEI-CYBMUJFWSA-N 1 0 359.426 2.414 20 30 FEEDRO C[N@@H+]1CC[C@H]2CN(S(=O)(=O)c3ccc(C#N)cc3C(F)(F)F)CC[C@@H]21 ZINC000867812238 684397093 /nfs/dbraw/zinc/39/70/93/684397093.db2.gz ISFLBMHBUUHVLN-JSGCOSHPSA-N 1 0 373.400 2.292 20 30 FEEDRO N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N1CCN(c2cccs2)CC1 ZINC000867942507 684430190 /nfs/dbraw/zinc/43/01/90/684430190.db2.gz SOESFCBSAHRGAI-GOSISDBHSA-N 1 0 352.463 2.155 20 30 FEEDRO CC(C)(C)c1nnc(CNC(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)s1 ZINC000867967172 684433518 /nfs/dbraw/zinc/43/35/18/684433518.db2.gz XWJPWICZOGIKAE-OAHLLOKOSA-N 1 0 355.467 2.210 20 30 FEEDRO C=CCCN(C)C(=O)NCC[NH+]1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000924882919 684502745 /nfs/dbraw/zinc/50/27/45/684502745.db2.gz OHVPJCFBFIZXHT-UHFFFAOYSA-N 1 0 354.495 2.193 20 30 FEEDRO C[C@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1cccc(Br)n1 ZINC000925418176 684561377 /nfs/dbraw/zinc/56/13/77/684561377.db2.gz ZTZQYXIAZWQWLM-PQJBRBTKSA-N 1 0 365.231 2.021 20 30 FEEDRO C#CCN(CC(=O)NC1CCC(C)([NH+](C)C)CC1)C(=O)OC(C)(C)C ZINC000871362698 684807873 /nfs/dbraw/zinc/80/78/73/684807873.db2.gz HLIQXWOPERVIHQ-UHFFFAOYSA-N 1 0 351.491 2.236 20 30 FEEDRO CC[C@@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)[C@@H](O)c1ccccc1 ZINC000872250390 684932074 /nfs/dbraw/zinc/93/20/74/684932074.db2.gz HRIRFODRBNYJPE-MOPGFXCFSA-N 1 0 358.463 2.434 20 30 FEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC(C(=O)Nc2ccc(O)cc2)CC1 ZINC000876635982 686233835 /nfs/dbraw/zinc/23/38/35/686233835.db2.gz OZOCRMBJNFMJBN-OAHLLOKOSA-N 1 0 351.834 2.039 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H](c1ccc(Cl)cc1)N1CCOCC1 ZINC000876741290 686258659 /nfs/dbraw/zinc/25/86/59/686258659.db2.gz QCDBGVWNKYJSKY-JKSUJKDBSA-N 1 0 372.296 2.299 20 30 FEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H]1CCN(c2cc(OC)cc(OC)c2)C1 ZINC000876777464 686266630 /nfs/dbraw/zinc/26/66/30/686266630.db2.gz NFTZYPIGHBPOCB-CXAGYDPISA-N 1 0 367.877 2.116 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O ZINC000876890485 686288495 /nfs/dbraw/zinc/28/84/95/686288495.db2.gz AIIMLIFLZFSEBZ-LSDHHAIUSA-N 1 0 371.815 2.042 20 30 FEEDRO N#Cc1cnc(Cl)c(C[NH2+]C[C@H](O)COc2ccc(F)c(F)c2)c1 ZINC000877018319 686312089 /nfs/dbraw/zinc/31/20/89/686312089.db2.gz MKJAYCOPOSRPTE-LBPRGKRZSA-N 1 0 353.756 2.414 20 30 FEEDRO O=C(C#CC1CC[NH2+]CC1)N[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000877123304 686328797 /nfs/dbraw/zinc/32/87/97/686328797.db2.gz RPHXIHNNUMVOGC-AEFFLSMTSA-N 1 0 350.821 2.428 20 30 FEEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]CC(C)(C)[C@@H]1COCC12OCCO2 ZINC000877584942 686415996 /nfs/dbraw/zinc/41/59/96/686415996.db2.gz LWVZNSKPJCVVKQ-HOTGVXAUSA-N 1 0 352.475 2.091 20 30 FEEDRO C=CCN1CC[C@@H]([NH2+][C@@]2(c3ccc(Br)cc3)C[C@@H](O)C2)C1=O ZINC000880218118 687017630 /nfs/dbraw/zinc/01/76/30/687017630.db2.gz HPAHVVMISBCXIF-INMHGKMJSA-N 1 0 365.271 2.176 20 30 FEEDRO C=C(C)C[NH+]1CCC(Nc2ccc3nnc(Br)n3n2)CC1 ZINC000881945938 687267645 /nfs/dbraw/zinc/26/76/45/687267645.db2.gz BBYFCQRAIBJSFS-UHFFFAOYSA-N 1 0 351.252 2.339 20 30 FEEDRO C[NH+](C)C1CCN(CCNc2ncc(C#N)cc2Br)CC1 ZINC000882056034 687294823 /nfs/dbraw/zinc/29/48/23/687294823.db2.gz ZUVZGDPBZPDBJZ-UHFFFAOYSA-N 1 0 352.280 2.154 20 30 FEEDRO CCC1([NH+]2CCCCC2)CCN(S(=O)(=O)N(C)C[C@H](C)C#N)CC1 ZINC000882618635 687410411 /nfs/dbraw/zinc/41/04/11/687410411.db2.gz XBYCWKOOHXFOMH-MRXNPFEDSA-N 1 0 356.536 2.053 20 30 FEEDRO Cc1cc(S(=O)(=O)N2CCN(c3cc[nH+]cc3)[C@@H](C)C2)ccc1C#N ZINC000882620399 687411667 /nfs/dbraw/zinc/41/16/67/687411667.db2.gz IPFFELIUMUQFRL-HNNXBMFYSA-N 1 0 356.451 2.161 20 30 FEEDRO CC[N@H+](CCNC(=O)Nc1ccc(Br)c(C#N)n1)C1CC1 ZINC000883085516 687560101 /nfs/dbraw/zinc/56/01/01/687560101.db2.gz SYXYFFBJNFTFRC-UHFFFAOYSA-N 1 0 352.236 2.322 20 30 FEEDRO C#CC[C@@H](CO)[NH2+]Cc1sc(N2CCOCC2)nc1-c1ccccc1 ZINC000883123110 687572048 /nfs/dbraw/zinc/57/20/48/687572048.db2.gz MHLUNDMNBOVMKU-INIZCTEOSA-N 1 0 357.479 2.121 20 30 FEEDRO CSc1cc2c(cc1NC(=O)C1CC3(C1)C[NH2+]C[C@@H]3C#N)OCCO2 ZINC000884116707 687793294 /nfs/dbraw/zinc/79/32/94/687793294.db2.gz DAFLXBOYYSXABE-LASWEOPPSA-N 1 0 359.451 2.258 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H]2CC[C@@]3(CO[C@@H](C)C3)O2)CC1 ZINC000884131241 687796919 /nfs/dbraw/zinc/79/69/19/687796919.db2.gz GHXUTHXIKZOCHN-VDZJLULYSA-N 1 0 351.491 2.053 20 30 FEEDRO Cc1cc(Br)cc(NC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)c1N ZINC000884250800 687829442 /nfs/dbraw/zinc/82/94/42/687829442.db2.gz OMSJRLMJXIYGDM-NOEPWBJOSA-N 1 0 363.259 2.418 20 30 FEEDRO N#C[C@H]1C[NH2+]CC12CC(C(=O)N1CC[C@H](Oc3ccccc3Cl)C1)C2 ZINC000884323794 687848481 /nfs/dbraw/zinc/84/84/81/687848481.db2.gz YSIYSPASQKOGPW-LPRCSBTHSA-N 1 0 359.857 2.459 20 30 FEEDRO C[C@H]1CN(c2cc[nH+]cc2)CCN1S(=O)(=O)c1cccc(CC#N)c1 ZINC000885848250 688167728 /nfs/dbraw/zinc/16/77/28/688167728.db2.gz QAOUQTZKOZKYNU-HNNXBMFYSA-N 1 0 356.451 2.047 20 30 FEEDRO C#CCOc1ccc(Br)cc1C[NH2+][C@@H]1CC[C@@H](O)[C@@H](O)CC1 ZINC000886257793 688221038 /nfs/dbraw/zinc/22/10/38/688221038.db2.gz LMUYRQWYYNNDEL-PHZGNYQRSA-N 1 0 368.271 2.215 20 30 FEEDRO CN(CCC[N@H+](C)Cc1ccncc1)S(=O)(=O)c1cccc(C#N)c1 ZINC000886424724 688252705 /nfs/dbraw/zinc/25/27/05/688252705.db2.gz ASHVQLSNILNYSD-UHFFFAOYSA-N 1 0 358.467 2.096 20 30 FEEDRO C=CCC1(O)CC[NH+]([C@@H]2CN(C(=O)OC(C)(C)C)CC[C@]2(C)O)CC1 ZINC000886778606 688309569 /nfs/dbraw/zinc/30/95/69/688309569.db2.gz JNWGAJWXALOKPA-QAPCUYQASA-N 1 0 354.491 2.150 20 30 FEEDRO N#CCCCOc1cccnc1NC(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000886944512 688343845 /nfs/dbraw/zinc/34/38/45/688343845.db2.gz RJIOJGIGQXWNAL-LBPRGKRZSA-N 1 0 353.373 2.130 20 30 FEEDRO N#Cc1cc(NC(=O)C2C[NH+](C3CCOCC3)C2)ccc1Br ZINC000887994979 688532839 /nfs/dbraw/zinc/53/28/39/688532839.db2.gz QWRNZTKGEDADPQ-UHFFFAOYSA-N 1 0 364.243 2.370 20 30 FEEDRO COCCN(CC1CC[NH+](C)CC1)C(=O)Nc1nc(Cl)c(C#N)s1 ZINC000888427711 688610828 /nfs/dbraw/zinc/61/08/28/688610828.db2.gz AKQWOYWAIQYXHN-UHFFFAOYSA-N 1 0 371.894 2.490 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)Nc1cncc(Cl)c1)C(C)C ZINC000889799582 688831270 /nfs/dbraw/zinc/83/12/70/688831270.db2.gz CAZOFXGFPMKAEI-MRXNPFEDSA-N 1 0 364.877 2.488 20 30 FEEDRO C=CC[C@H](CO)C[NH2+][C@@H]1C[C@H](NC(=O)OC(C)(C)C)C12CCOCC2 ZINC000893283653 689325921 /nfs/dbraw/zinc/32/59/21/689325921.db2.gz NEEVTUFBJWENMB-XHSDSOJGSA-N 1 0 354.491 2.223 20 30 FEEDRO O=C1[C@@H]([NH2+]Cc2c[nH]nc2-c2ccc(Br)s2)CCCN1O ZINC000895157201 689668670 /nfs/dbraw/zinc/66/86/70/689668670.db2.gz MUGXGNDJJMXYSW-VIFPVBQESA-N 1 0 371.260 2.371 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)N1CCN(Cc2nc3ccccc3s2)CC1 ZINC000899966962 690453663 /nfs/dbraw/zinc/45/36/63/690453663.db2.gz VOLHXTPOEAWCOI-UHFFFAOYSA-N 1 0 358.511 2.448 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)Nc1cccc(CS(=O)(=O)NC(C)(C)C)c1 ZINC000900346629 690505120 /nfs/dbraw/zinc/50/51/20/690505120.db2.gz LGUMFIOOXKCDDY-UHFFFAOYSA-N 1 0 367.515 2.351 20 30 FEEDRO N#CC1(CN[C@H](C[NH+]2CCC(C(N)=O)CC2)c2ccc(Cl)cc2)CC1 ZINC000903106400 690845024 /nfs/dbraw/zinc/84/50/24/690845024.db2.gz PFDZDRIDKGGGNU-QGZVFWFLSA-N 1 0 360.889 2.472 20 30 FEEDRO CC(C)[C@@H]([NH3+])CCN(C)S(=O)(=O)c1ccc(Br)c(C#N)c1 ZINC000903485631 690898857 /nfs/dbraw/zinc/89/88/57/690898857.db2.gz BMHJWQSYNARESZ-AWEZNQCLSA-N 1 0 374.304 2.315 20 30 FEEDRO Cc1cc(C#N)cc(C)c1CS(=O)(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000903513504 690906060 /nfs/dbraw/zinc/90/60/60/690906060.db2.gz BMQWHNYEDSWMOK-HKUYNNGSSA-N 1 0 361.511 2.469 20 30 FEEDRO CN(CCC#N)C[C@H](O)C[NH2+]CCc1cc(Cl)cc(Br)c1 ZINC000905419613 691116512 /nfs/dbraw/zinc/11/65/12/691116512.db2.gz PLFNCKFOVZHPOH-OAHLLOKOSA-N 1 0 374.710 2.441 20 30 FEEDRO CN(CCC#N)C[C@H](O)C[NH2+]Cc1cc(Br)ccc1Cl ZINC000905526592 691132843 /nfs/dbraw/zinc/13/28/43/691132843.db2.gz XKEKQBNNKUIFSB-CYBMUJFWSA-N 1 0 360.683 2.398 20 30 FEEDRO CC[C@@H](C[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)C(=O)OC(C)(C)C ZINC000905551188 691138968 /nfs/dbraw/zinc/13/89/68/691138968.db2.gz CVEZKNMKLQLBGG-HNNXBMFYSA-N 1 0 366.483 2.289 20 30 FEEDRO N#Cc1ccc(OC[C@H](O)C[NH2+]CC[C@H]2CC[C@H](C(F)(F)F)O2)cc1 ZINC000905556764 691140180 /nfs/dbraw/zinc/14/01/80/691140180.db2.gz OWYJMODZLUFZLQ-FVQBIDKESA-N 1 0 358.360 2.388 20 30 FEEDRO N#Cc1ccc([C@H](O)C[NH2+]CC2(n3cc(Br)cn3)CC2)cc1 ZINC000905588107 691147214 /nfs/dbraw/zinc/14/72/14/691147214.db2.gz UODSOOKLJGUOKZ-OAHLLOKOSA-N 1 0 361.243 2.330 20 30 FEEDRO COC(=O)C1CC2(C1)C[C@@H]([NH2+]C[C@@H](O)c1ccc(C#N)cc1)CCS2 ZINC000905695428 691163182 /nfs/dbraw/zinc/16/31/82/691163182.db2.gz KYRHVCAEIFTAFM-DHADLLTHSA-N 1 0 360.479 2.399 20 30 FEEDRO CCN(CCC[NH+](C)C)S(=O)(=O)c1ccc(Br)c(C#N)c1 ZINC000907153866 691409173 /nfs/dbraw/zinc/40/91/73/691409173.db2.gz SUPNNMCSMFEYDB-UHFFFAOYSA-N 1 0 374.304 2.283 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)N[C@@H](C(=O)OC)c1ccc(OC)c(Cl)c1 ZINC000907458238 691487728 /nfs/dbraw/zinc/48/77/28/691487728.db2.gz WMIKLRYNTSGYAC-OAHLLOKOSA-N 1 0 354.834 2.187 20 30 FEEDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)cnc1C#N)C2 ZINC001164815343 720087414 /nfs/dbraw/zinc/08/74/14/720087414.db2.gz YIHUUWGYOOYXIF-KSSFIOAISA-N 1 0 361.877 2.186 20 30 FEEDRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nc(Cl)c(F)cc4C#N)C[C@@H]3C2)cn1 ZINC001164771666 721075235 /nfs/dbraw/zinc/07/52/35/721075235.db2.gz SSDBGVLUXBXRFE-HIFRSBDPSA-N 1 0 374.851 2.438 20 30 FEEDRO Cc1ccc(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)nc1C#N ZINC001164883564 721408200 /nfs/dbraw/zinc/40/82/00/721408200.db2.gz AWIJFFUCFUJLJQ-NQIIRXRSSA-N 1 0 369.513 2.027 20 30 FEEDRO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2C(F)(F)c1ccc(C#N)c(Cl)n1 ZINC001164926619 721849894 /nfs/dbraw/zinc/84/98/94/721849894.db2.gz IEFUHMREEJIWGD-KGLIPLIRSA-N 1 0 369.847 2.366 20 30 FEEDRO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2C(F)(F)c1cnc(Cl)cc1C#N ZINC001164922416 721873397 /nfs/dbraw/zinc/87/33/97/721873397.db2.gz GQNUWXWYYLALAX-HUUCEWRRSA-N 1 0 369.847 2.366 20 30 FEEDRO C[NH+](C)CC1CCN(c2nccnc2[C@H](C#N)C(=O)OC(C)(C)C)CC1 ZINC001165041928 721950540 /nfs/dbraw/zinc/95/05/40/721950540.db2.gz CGXIPLKXEPLZLY-HNNXBMFYSA-N 1 0 359.474 2.203 20 30 FEEDRO Cc1cc(C#N)cc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164980354 722150941 /nfs/dbraw/zinc/15/09/41/722150941.db2.gz NEEFZUIUTZFUSB-VQTJNVASSA-N 1 0 363.465 2.384 20 30 FEEDRO Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+](C)[C@H](C)c3ccccc3)CC2)o1 ZINC000029717705 539862470 /nfs/dbraw/zinc/86/24/70/539862470.db2.gz CIQKYMNYCWJJHP-OAHLLOKOSA-N 1 0 367.453 2.196 20 30 FEEDRO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000042132652 540052817 /nfs/dbraw/zinc/05/28/17/540052817.db2.gz RNLNZCYKFZXHKH-KBPBESRZSA-N 1 0 356.426 2.408 20 30 FEEDRO COc1cc(C#N)ccc1OCC(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000044582442 540132062 /nfs/dbraw/zinc/13/20/62/540132062.db2.gz QOQIQNZBTCDRCK-HOTGVXAUSA-N 1 0 359.470 2.430 20 30 FEEDRO C=CCN(CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1)Cc1ccccc1 ZINC000045796816 540227997 /nfs/dbraw/zinc/22/79/97/540227997.db2.gz XTAYVHDEIMYQBS-FQEVSTJZSA-N 1 0 359.514 2.148 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)C1CCN(C(=O)N(C)C)CC1)C(C)C ZINC000045910375 540233730 /nfs/dbraw/zinc/23/37/30/540233730.db2.gz ZLHDADRUCGVTAH-SFHVURJKSA-N 1 0 364.534 2.195 20 30 FEEDRO COc1cc(C#N)ccc1OCC(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000047447199 540311521 /nfs/dbraw/zinc/31/15/21/540311521.db2.gz CFJLZPRGGFMMQG-OAHLLOKOSA-N 1 0 359.451 2.426 20 30 FEEDRO C=CCc1ccc(OC[C@H](O)C[NH+]2CCC3(CC2)OCCO3)c(OC)c1 ZINC000047496711 540314379 /nfs/dbraw/zinc/31/43/79/540314379.db2.gz PGKIRMOAMYRHTA-QGZVFWFLSA-N 1 0 363.454 2.002 20 30 FEEDRO CCC[N@H+](CC(=O)NC(=O)NCc1ccco1)Cc1ccc(C#N)cc1 ZINC000047740099 540326120 /nfs/dbraw/zinc/32/61/20/540326120.db2.gz XUOOVCMSZQYCGZ-UHFFFAOYSA-N 1 0 354.410 2.389 20 30 FEEDRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CSCc2ccc(C#N)cc2)C1 ZINC000047777045 540328052 /nfs/dbraw/zinc/32/80/52/540328052.db2.gz HCOGZXKHUDDEFZ-GOSISDBHSA-N 1 0 361.511 2.264 20 30 FEEDRO N#Cc1ccnc(N2CC[NH+](CCC(=O)Nc3ccc(F)cc3)CC2)c1 ZINC000047860079 540331028 /nfs/dbraw/zinc/33/10/28/540331028.db2.gz NRUJXEMKBLIGLE-UHFFFAOYSA-N 1 0 353.401 2.243 20 30 FEEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000050009369 540397548 /nfs/dbraw/zinc/39/75/48/540397548.db2.gz GPYLSTOZQZILDD-UHFFFAOYSA-N 1 0 370.497 2.273 20 30 FEEDRO COc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000050165199 540401730 /nfs/dbraw/zinc/40/17/30/540401730.db2.gz PZZNQGZDCPSPJS-KRWDZBQOSA-N 1 0 372.469 2.132 20 30 FEEDRO C[NH+](C)C1(CNC(=O)N2CCN(c3ccc(C#N)cn3)CC2)CCCCC1 ZINC000052498242 540468494 /nfs/dbraw/zinc/46/84/94/540468494.db2.gz YGPGNOGGPAPZDB-UHFFFAOYSA-N 1 0 370.501 2.049 20 30 FEEDRO CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCC(C(=O)Nc2cccc(C)n2)CC1 ZINC000053166902 540514975 /nfs/dbraw/zinc/51/49/75/540514975.db2.gz ATGKCHHCIJNZSW-OAHLLOKOSA-N 1 0 371.485 2.049 20 30 FEEDRO C=CCNC(=O)NC(=O)[C@H](C)[N@H+](C)CCCOc1ccc(Cl)cc1 ZINC000053681549 540549425 /nfs/dbraw/zinc/54/94/25/540549425.db2.gz KPJFATJPNYOLBD-ZDUSSCGKSA-N 1 0 353.850 2.441 20 30 FEEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000054851166 540615047 /nfs/dbraw/zinc/61/50/47/540615047.db2.gz OCICGPQCHCTEMI-HNNXBMFYSA-N 1 0 372.469 2.275 20 30 FEEDRO C[C@H]1CCC[N@H+](Cc2ccccc2CNS(=O)(=O)N(C)CCC#N)C1 ZINC000056064569 540698956 /nfs/dbraw/zinc/69/89/56/540698956.db2.gz KGWNZIXHUJPWDA-INIZCTEOSA-N 1 0 364.515 2.098 20 30 FEEDRO C=CCN1C(=O)c2ccc(C(=O)NCC3([NH+](C)C)CCCC3)cc2C1=O ZINC000056528412 540732359 /nfs/dbraw/zinc/73/23/59/540732359.db2.gz PXZQDIYJWUZTID-UHFFFAOYSA-N 1 0 355.438 2.073 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)NCc2nn(-c3ccccc3)c3c2CCC3)CC1 ZINC000057177505 540776673 /nfs/dbraw/zinc/77/66/73/540776673.db2.gz JIOJZYZADWWZDQ-UHFFFAOYSA-N 1 0 362.477 2.322 20 30 FEEDRO C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CCC(C#N)CC1 ZINC000057877453 540821460 /nfs/dbraw/zinc/82/14/60/540821460.db2.gz XEQSHYWCPFMJNP-KRWDZBQOSA-N 1 0 354.498 2.391 20 30 FEEDRO Cc1cc(=NC(=O)NC2CC[NH+](CCOC(C)C)CC2)[nH]n1CCC#N ZINC000538619726 540873651 /nfs/dbraw/zinc/87/36/51/540873651.db2.gz UBDKFHWEIBRSML-UHFFFAOYSA-N 1 0 362.478 2.116 20 30 FEEDRO N#Cc1ccc(-n2ccc(NC(=O)NCCC[NH+]3CCCC3)n2)c(F)c1 ZINC000541105042 541150655 /nfs/dbraw/zinc/15/06/55/541150655.db2.gz HLNPHSLZDHVLGM-UHFFFAOYSA-N 1 0 356.405 2.490 20 30 FEEDRO COCC[N@@H+](Cc1ccc(C#N)cc1)C[C@H](O)COc1ccc(C#N)cc1 ZINC000063754073 541183465 /nfs/dbraw/zinc/18/34/65/541183465.db2.gz ZKYIQHKKQAWWSL-FQEVSTJZSA-N 1 0 365.433 2.318 20 30 FEEDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)C1 ZINC000066241168 541294122 /nfs/dbraw/zinc/29/41/22/541294122.db2.gz LJFBPUZFHXRAGY-HNNXBMFYSA-N 1 0 366.469 2.176 20 30 FEEDRO C[C@@H](CNC(=O)c1ccc(-n2ncc(C#N)c2N)cc1)[N@@H+]1CCCC[C@H]1C ZINC000066240549 541294167 /nfs/dbraw/zinc/29/41/67/541294167.db2.gz XFWFRDLIHPYHPO-CABCVRRESA-N 1 0 366.469 2.319 20 30 FEEDRO CC[C@H](C)[N@H+](C)CCNC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 ZINC000066140029 541284490 /nfs/dbraw/zinc/28/44/90/541284490.db2.gz HGNSIJMZWWFVSQ-HNNXBMFYSA-N 1 0 365.499 2.224 20 30 FEEDRO C[C@@H](CNC(=O)CCC(=O)N(CCC#N)c1ccccc1)[NH+]1CCCC1 ZINC000066620546 541347858 /nfs/dbraw/zinc/34/78/58/541347858.db2.gz GVCHAUADIMEPJC-KRWDZBQOSA-N 1 0 356.470 2.314 20 30 FEEDRO C[C@H](CNC(=O)CCC(=O)N(CCC#N)c1ccccc1)[N@H+](C)C1CC1 ZINC000066623542 541348512 /nfs/dbraw/zinc/34/85/12/541348512.db2.gz CUPXDJQRKMNHMI-MRXNPFEDSA-N 1 0 356.470 2.312 20 30 FEEDRO C[C@H]1C[C@H](NC(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CC[N@@H+]1C ZINC000542838650 541484578 /nfs/dbraw/zinc/48/45/78/541484578.db2.gz MWMDCBAFBLDSGZ-QWHCGFSZSA-N 1 0 356.405 2.487 20 30 FEEDRO C[C@@H]1CN(C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)C[C@H]1[NH+](C)C ZINC000542962200 541509804 /nfs/dbraw/zinc/50/98/04/541509804.db2.gz QPRGWXISXHTBCN-MLGOLLRUSA-N 1 0 356.405 2.297 20 30 FEEDRO CC[NH+]1CCC(NC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)CC1 ZINC000069385992 541682407 /nfs/dbraw/zinc/68/24/07/541682407.db2.gz GIWDWWWAZQCXDM-KRWDZBQOSA-N 1 0 373.476 2.450 20 30 FEEDRO CCOc1ccc(C#N)cc1NC(=O)C(=O)NCC[N@@H+]1CCCC[C@H]1CC ZINC000072855689 541882121 /nfs/dbraw/zinc/88/21/21/541882121.db2.gz CCVMSVVOOZKBNW-MRXNPFEDSA-N 1 0 372.469 2.276 20 30 FEEDRO CCN(C[C@@H](C)C#N)C(=O)CN(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000072868442 541886026 /nfs/dbraw/zinc/88/60/26/541886026.db2.gz UDJDLDANYMAGSH-ICSRJNTNSA-N 1 0 356.514 2.448 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N(C)Cc2nc([C@H](C)OCC(C)C)no2)CC1 ZINC000073221149 541931439 /nfs/dbraw/zinc/93/14/39/541931439.db2.gz BQFKDLKBVXSWDR-HNNXBMFYSA-N 1 0 362.474 2.107 20 30 FEEDRO C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)c1cnn(C)c1 ZINC000074477569 542088147 /nfs/dbraw/zinc/08/81/47/542088147.db2.gz XZSSZQIXTNECIG-OAHLLOKOSA-N 1 0 354.458 2.126 20 30 FEEDRO CC[NH+](CC)CCOC1CCN([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC1 ZINC000075007498 542144551 /nfs/dbraw/zinc/14/45/51/542144551.db2.gz RKHSJNBHOVLMLI-PXNSSMCTSA-N 1 0 366.550 2.252 20 30 FEEDRO C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C(=O)N(CCC)CC(F)(F)F)C1 ZINC000075926232 542217156 /nfs/dbraw/zinc/21/71/56/542217156.db2.gz SHPPYHHUGDKNSL-UONOGXRCSA-N 1 0 363.424 2.190 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cccc(N(C)C(C)C)c2)CC1 ZINC000076513163 542288625 /nfs/dbraw/zinc/28/86/25/542288625.db2.gz HOODQEWWLWBRTK-UHFFFAOYSA-N 1 0 358.486 2.236 20 30 FEEDRO C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)Nc2cccc(C#N)c2)C1 ZINC000076618051 542301760 /nfs/dbraw/zinc/30/17/60/542301760.db2.gz LQKIBOZBFWUBDN-IBGZPJMESA-N 1 0 362.433 2.230 20 30 FEEDRO C[C@H](NC(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1)c1cccc(C#N)c1 ZINC000076724200 542318119 /nfs/dbraw/zinc/31/81/19/542318119.db2.gz YMIQSJGQPGEZFM-HNNXBMFYSA-N 1 0 364.449 2.478 20 30 FEEDRO C=CCCC[N@@H+](C)[C@@H](C)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000076734828 542318413 /nfs/dbraw/zinc/31/84/13/542318413.db2.gz HJXWGDUPABNMJP-AWEZNQCLSA-N 1 0 353.488 2.162 20 30 FEEDRO C[NH+]1CCC(C#N)(NC(=O)c2cccc(OCc3cccnc3)c2)CC1 ZINC000077040085 542343766 /nfs/dbraw/zinc/34/37/66/542343766.db2.gz BHUWZSHGHFNBQS-UHFFFAOYSA-N 1 0 350.422 2.378 20 30 FEEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+]2CCC[C@@H](O)C2)c1C#N ZINC000078390780 542459399 /nfs/dbraw/zinc/45/93/99/542459399.db2.gz SARGDQIBEVPWOG-MRXNPFEDSA-N 1 0 370.453 2.403 20 30 FEEDRO C#CCNC(=O)c1ccc(N2C[C@@H]3C[N@@H+](C)[C@@H](c4ccccc4)[C@H]3C2)nc1 ZINC000078419793 542460422 /nfs/dbraw/zinc/46/04/22/542460422.db2.gz GTOFJTVWDZKCMY-ZJOUEHCJSA-N 1 0 360.461 2.184 20 30 FEEDRO C#CCOc1ccc(F)cc1NC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000078620196 542472525 /nfs/dbraw/zinc/47/25/25/542472525.db2.gz GGEYQPFLGYOHFU-HNNXBMFYSA-N 1 0 361.417 2.024 20 30 FEEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000079596819 542530362 /nfs/dbraw/zinc/53/03/62/542530362.db2.gz BRPROPFSOSBTRW-UHFFFAOYSA-N 1 0 374.529 2.419 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH+]1CCC(CNC(C)=O)CC1 ZINC000079997636 542556590 /nfs/dbraw/zinc/55/65/90/542556590.db2.gz FAKNZFDZIRNGCF-HNNXBMFYSA-N 1 0 363.527 2.499 20 30 FEEDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)Nc1cccc(OCCCC#N)c1 ZINC000080172447 542570952 /nfs/dbraw/zinc/57/09/52/542570952.db2.gz XSKOALFLWLKNOC-INIZCTEOSA-N 1 0 372.469 2.298 20 30 FEEDRO CNC(=O)[C@@H](C)C[N@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1 ZINC000081576031 542665716 /nfs/dbraw/zinc/66/57/16/542665716.db2.gz LPUGMJRVGXXYFD-ZDUSSCGKSA-N 1 0 373.501 2.344 20 30 FEEDRO C[NH+]=C(NCc1ncc(C(C)(C)C)o1)NCc1nnc2n1CCCCC2 ZINC000081724949 542673719 /nfs/dbraw/zinc/67/37/19/542673719.db2.gz LYVHQTZGDOYURV-UHFFFAOYSA-N 1 0 359.478 2.155 20 30 FEEDRO CC(=O)Nc1cccc(OCCNC(=[NH2+])N[C@@H]2CCOc3ccccc32)c1 ZINC000083052562 542690965 /nfs/dbraw/zinc/69/09/65/542690965.db2.gz MALKGRAEZPPOSN-GOSISDBHSA-N 1 0 368.437 2.452 20 30 FEEDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3cc(C#N)cs3)cn2)CC1 ZINC000084181465 542708881 /nfs/dbraw/zinc/70/88/81/542708881.db2.gz VLTIBHRQPCPOGA-UHFFFAOYSA-N 1 0 355.467 2.087 20 30 FEEDRO CC[NH+](CC)CC#C[C@@H](C)OC(=O)c1c(C)nn(C)c1Br ZINC000802113620 674161175 /nfs/dbraw/zinc/16/11/75/674161175.db2.gz ABPQSWLIOKAJSS-LLVKDONJSA-N 1 0 356.264 2.382 20 30 FEEDRO C=CCNC(=O)NC(=O)[C@@H](C)N1CC[NH+](C2CCC(C(C)C)CC2)CC1 ZINC000084680510 542719046 /nfs/dbraw/zinc/71/90/46/542719046.db2.gz GMAZZRYSMCNSQE-WWDZGPRUSA-N 1 0 364.534 2.219 20 30 FEEDRO Cc1nc(C)c(CNC2=[NH+]C[C@@H]3CN(C(=O)OC(C)(C)C)CCN23)s1 ZINC000089120945 542758082 /nfs/dbraw/zinc/75/80/82/542758082.db2.gz GSRUUBVFAJEFMB-CYBMUJFWSA-N 1 0 365.503 2.140 20 30 FEEDRO C=CCN(CC(=O)NC1CC[NH+](CC)CC1)Cc1cccc([N+](=O)[O-])c1 ZINC000089120988 542758197 /nfs/dbraw/zinc/75/81/97/542758197.db2.gz LBLFCQASIZEZPH-UHFFFAOYSA-N 1 0 360.458 2.183 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)Cc2ccc(OC(F)F)cc2)c1C#N ZINC000089677246 542768570 /nfs/dbraw/zinc/76/85/70/542768570.db2.gz FGCKTZPAMJVHDE-UHFFFAOYSA-N 1 0 363.368 2.216 20 30 FEEDRO N#Cc1ccc(NC(=O)NC[C@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)cc1 ZINC000089681995 542769379 /nfs/dbraw/zinc/76/93/79/542769379.db2.gz ATBROEMLPOMBQF-RTBURBONSA-N 1 0 350.422 2.315 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N[C@H]2CCCN(Cc3ccccc3)C2=O)CC1 ZINC000090561691 542785876 /nfs/dbraw/zinc/78/58/76/542785876.db2.gz MBULAUYKVYBIIQ-IBGZPJMESA-N 1 0 370.497 2.127 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc3oc(C)nc3c2)CC1 ZINC000091221529 542799739 /nfs/dbraw/zinc/79/97/39/542799739.db2.gz CVDMEDSPSZGMIH-UHFFFAOYSA-N 1 0 356.426 2.231 20 30 FEEDRO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+](C)[C@@H]2CCc3ccccc3C2)CC1 ZINC000091577854 542813796 /nfs/dbraw/zinc/81/37/96/542813796.db2.gz PWXRWXVMWKKQGQ-RTWAWAEBSA-N 1 0 368.525 2.168 20 30 FEEDRO CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH2+]C2(c3ccccc3)CCC2)CC1 ZINC000091596674 542815403 /nfs/dbraw/zinc/81/54/03/542815403.db2.gz XVBRRHHRTKUYNB-LJQANCHMSA-N 1 0 354.498 2.348 20 30 FEEDRO C[C@H](CC[NH+](C)C)NC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000092220100 542849937 /nfs/dbraw/zinc/84/99/37/542849937.db2.gz IQCXAFQRJUWPDA-ODIFPOPNSA-N 1 0 359.474 2.283 20 30 FEEDRO CN(CC[NH+]1CCCC1)C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000092423729 542863317 /nfs/dbraw/zinc/86/33/17/542863317.db2.gz MOUVEFHZORZDFR-UHFFFAOYSA-N 1 0 371.485 2.380 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1cnc2sc(C)cn2c1=O)C(C)C ZINC000092861375 542892450 /nfs/dbraw/zinc/89/24/50/542892450.db2.gz JBHMDKPLMNYFHQ-MRXNPFEDSA-N 1 0 374.510 2.493 20 30 FEEDRO CC[C@H](CO)[NH+]1CCN(Cc2ccc(OC)c(OCCCC#N)c2)CC1 ZINC000093740326 542939231 /nfs/dbraw/zinc/93/92/31/542939231.db2.gz RYDACLOPULXYJG-GOSISDBHSA-N 1 0 361.486 2.266 20 30 FEEDRO C[C@H]1CN(C[C@@H]2CCC[N@@H+]2CCC(=O)Nc2ccccc2C#N)C[C@H](C)O1 ZINC000103470117 543109578 /nfs/dbraw/zinc/10/95/78/543109578.db2.gz GGKMXPJMHGUNHI-LNLFQRSKSA-N 1 0 370.497 2.460 20 30 FEEDRO COc1ccc(CNC(=O)CNC(=[NH2+])Nc2ccc3c(c2)CCC3)cc1 ZINC000104180656 543125390 /nfs/dbraw/zinc/12/53/90/543125390.db2.gz OEXKOXTURZDNLD-UHFFFAOYSA-N 1 0 352.438 2.227 20 30 FEEDRO COc1ccc(C[N@H+](C)C[C@H](O)COc2ccc(C#N)cc2)c(OC)c1 ZINC000104731896 543139929 /nfs/dbraw/zinc/13/99/29/543139929.db2.gz BKWWGPHWXHPYBH-KRWDZBQOSA-N 1 0 356.422 2.447 20 30 FEEDRO COc1cc[nH+]c(N2CCN(C(=O)Nc3ccc(F)c(C#N)c3)CC2)c1 ZINC000105036892 543155437 /nfs/dbraw/zinc/15/54/37/543155437.db2.gz IRLCBMPDINUTTK-UHFFFAOYSA-N 1 0 355.373 2.455 20 30 FEEDRO CN(CCC#N)c1ccc(C[NH2+]CCc2ccc(S(N)(=O)=O)cc2)cc1 ZINC000105417396 543173410 /nfs/dbraw/zinc/17/34/10/543173410.db2.gz OYNCQODRMFNCRN-UHFFFAOYSA-N 1 0 372.494 2.016 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)COc2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000106035633 543186015 /nfs/dbraw/zinc/18/60/15/543186015.db2.gz QUJGAKTUHZKFPM-UHFFFAOYSA-N 1 0 363.414 2.139 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cc(-n3cnnn3)ccc2C)CC1 ZINC000106320346 543222844 /nfs/dbraw/zinc/22/28/44/543222844.db2.gz XRPYTPWHJUPTGL-UHFFFAOYSA-N 1 0 355.446 2.133 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2ccccc2N2CCOCC2)CC1 ZINC000106336188 543224133 /nfs/dbraw/zinc/22/41/33/543224133.db2.gz MXQKYCNSPZUVFX-UHFFFAOYSA-N 1 0 372.513 2.363 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@H]2CSCN2C(=O)CC(C)(C)C)CC1 ZINC000106361120 543225925 /nfs/dbraw/zinc/22/59/25/543225925.db2.gz KWDYEWBONUSIQX-MRXNPFEDSA-N 1 0 367.559 2.481 20 30 FEEDRO Cc1ccc(C[NH+]2CCC(CNC(=O)N3CCO[C@H](C#N)C3)CC2)cc1 ZINC000106584519 543240518 /nfs/dbraw/zinc/24/05/18/543240518.db2.gz HBSNAMBRVNHTOZ-LJQANCHMSA-N 1 0 356.470 2.141 20 30 FEEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000106583249 543240538 /nfs/dbraw/zinc/24/05/38/543240538.db2.gz QZLOEVKXLCTULB-KRWDZBQOSA-N 1 0 357.502 2.116 20 30 FEEDRO N#Cc1ccc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)cc1Cl ZINC000106786629 543246684 /nfs/dbraw/zinc/24/66/84/543246684.db2.gz OJRHOSRIYQVHFA-AWEZNQCLSA-N 1 0 360.845 2.283 20 30 FEEDRO CC(C)(C)OC(=O)N[C@@H]1CCN([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000106869465 543251450 /nfs/dbraw/zinc/25/14/50/543251450.db2.gz QDSYMQALGYVSOR-NVXWUHKLSA-N 1 0 370.453 2.263 20 30 FEEDRO CC[NH+]1CCN([C@H]2CCN(C(=O)Nc3ccc(C#N)c(Cl)c3)C2)CC1 ZINC000106938694 543256979 /nfs/dbraw/zinc/25/69/79/543256979.db2.gz FTJHQZKWSVZOFX-INIZCTEOSA-N 1 0 361.877 2.455 20 30 FEEDRO CC[NH+]1CCN(Cc2ccc(CNC(=O)c3ccc(C#N)cn3)cc2)CC1 ZINC000107555567 543272558 /nfs/dbraw/zinc/27/25/58/543272558.db2.gz QWMNYRKWCCUGGF-UHFFFAOYSA-N 1 0 363.465 2.021 20 30 FEEDRO C=C(C)CN(CC)C(=O)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000108579047 543295345 /nfs/dbraw/zinc/29/53/45/543295345.db2.gz QJSYZYVXRZILGH-LJQANCHMSA-N 1 0 372.513 2.492 20 30 FEEDRO N#Cc1ccc(NC(=O)CC[N@@H+]2CCCC[C@H]2CN2CCOCC2)cc1 ZINC000109819061 543340405 /nfs/dbraw/zinc/34/04/05/543340405.db2.gz VGTVUAKFDHKYEP-IBGZPJMESA-N 1 0 356.470 2.074 20 30 FEEDRO CC[C@H](C)[C@H](C)[N@H+](CC(=O)N1CCN(c2oc(C)nc2C#N)CC1)C1CC1 ZINC000111226792 543386492 /nfs/dbraw/zinc/38/64/92/543386492.db2.gz LTUYIGSCOJAIOB-GJZGRUSLSA-N 1 0 373.501 2.402 20 30 FEEDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)NC1CCN(c2ccc(C#N)cn2)CC1 ZINC000111489022 543403528 /nfs/dbraw/zinc/40/35/28/543403528.db2.gz XOARIXORTNNJCV-GOSISDBHSA-N 1 0 370.501 2.096 20 30 FEEDRO C=CCN1C(=O)c2ccc(C(=O)N3CCC(CC[NH+](C)C)CC3)cc2C1=O ZINC000112925320 543469368 /nfs/dbraw/zinc/46/93/68/543469368.db2.gz GQUJUKRMODMQBY-UHFFFAOYSA-N 1 0 369.465 2.273 20 30 FEEDRO C#CCNC(=O)[C@@H](C)[NH+]1CCC(C(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC000113939880 543499139 /nfs/dbraw/zinc/49/91/39/543499139.db2.gz CUQLBXGBLBEJND-GFCCVEGCSA-N 1 0 365.836 2.268 20 30 FEEDRO CCCC[N@H+](C)CCNC(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 ZINC000114599282 543525241 /nfs/dbraw/zinc/52/52/41/543525241.db2.gz HXVGNKYNGKQSCJ-LJQANCHMSA-N 1 0 357.502 2.138 20 30 FEEDRO C=CC[C@@H](C)NC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000117077072 543623471 /nfs/dbraw/zinc/62/34/71/543623471.db2.gz NWJBWCSKWUNGTG-GFCCVEGCSA-N 1 0 353.850 2.300 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)NCC[S@](=O)Cc2ccccc2)CC1 ZINC000116956705 543620419 /nfs/dbraw/zinc/62/04/19/543620419.db2.gz ADVGXFXRMZBTRB-RUZDIDTESA-N 1 0 363.527 2.275 20 30 FEEDRO C=CCC[C@H](O)C[NH+]1CCN(CC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000120921218 543686876 /nfs/dbraw/zinc/68/68/76/543686876.db2.gz JAVRSYWTFBHORG-KRWDZBQOSA-N 1 0 351.878 2.223 20 30 FEEDRO CN(CCC[NH+](C)C)C(=O)C(=O)Nc1ccccc1C#Cc1ccccc1 ZINC000120995732 543687344 /nfs/dbraw/zinc/68/73/44/543687344.db2.gz NTYFVGHPQPTVOX-UHFFFAOYSA-N 1 0 363.461 2.435 20 30 FEEDRO C[C@@H](c1ccc(C#N)cc1)[NH+]1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 ZINC000118532628 543652767 /nfs/dbraw/zinc/65/27/67/543652767.db2.gz GKSXQEDXTQODMW-HNNXBMFYSA-N 1 0 368.481 2.055 20 30 FEEDRO C=CCOc1cccc(NC(=O)C(=O)NC[C@@H](C)C[NH+]2CCCCC2)c1 ZINC000118896204 543661481 /nfs/dbraw/zinc/66/14/81/543661481.db2.gz IXESRPMRVHVBQA-MRXNPFEDSA-N 1 0 359.470 2.428 20 30 FEEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000119432920 543667582 /nfs/dbraw/zinc/66/75/82/543667582.db2.gz KYPQRDFKBOSHFW-HKUYNNGSSA-N 1 0 357.502 2.289 20 30 FEEDRO CC(C)CN(CC(N)=O)CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000120093575 543675696 /nfs/dbraw/zinc/67/56/96/543675696.db2.gz IZAWQMRZFNQSFN-UHFFFAOYSA-N 1 0 350.850 2.030 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1ccccc1Cn1cncn1 ZINC000120170809 543676290 /nfs/dbraw/zinc/67/62/90/543676290.db2.gz MYEJRNMVWWGEGC-UHFFFAOYSA-N 1 0 355.446 2.026 20 30 FEEDRO N#Cc1ccc(C[N@H+]2CCCN(Cc3cc(C(N)=O)cs3)CC2)cc1 ZINC000122837711 543726708 /nfs/dbraw/zinc/72/67/08/543726708.db2.gz QWUGTRBARIPXGV-UHFFFAOYSA-N 1 0 354.479 2.427 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1cccc2ccccc21 ZINC000122075110 543703126 /nfs/dbraw/zinc/70/31/26/543703126.db2.gz VHZOSSQWJBMRSI-UHFFFAOYSA-N 1 0 352.438 2.472 20 30 FEEDRO Cc1nc2ccc(NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C)cc2s1 ZINC000122145234 543703808 /nfs/dbraw/zinc/70/38/08/543703808.db2.gz OWOCRWNJFULAHQ-UHFFFAOYSA-N 1 0 373.482 2.237 20 30 FEEDRO CCc1ccc(NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C)cc1CC ZINC000122178194 543704289 /nfs/dbraw/zinc/70/42/89/543704289.db2.gz YIUDZCOMBUCABY-UHFFFAOYSA-N 1 0 358.486 2.444 20 30 FEEDRO CCOC(=O)N1CCC(NC(=[NH2+])NCc2nc(C(C)C)cs2)CC1 ZINC000123684909 543777276 /nfs/dbraw/zinc/77/72/76/543777276.db2.gz XVSCQOBIAAMQHQ-UHFFFAOYSA-N 1 0 353.492 2.292 20 30 FEEDRO CC(C)(C#N)c1ccc(NC(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000123230820 543749977 /nfs/dbraw/zinc/74/99/77/543749977.db2.gz KTYKBYMBWQTLSZ-MRXNPFEDSA-N 1 0 368.481 2.371 20 30 FEEDRO COc1cc(C#N)ccc1OCC(=O)NC[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000124152011 543804018 /nfs/dbraw/zinc/80/40/18/543804018.db2.gz SIXCJXQMFOLQEV-QGZVFWFLSA-N 1 0 359.470 2.430 20 30 FEEDRO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCCC[C@@H]1[C@H]1CNC(=O)C1 ZINC000125510565 543885576 /nfs/dbraw/zinc/88/55/76/543885576.db2.gz AFVJXKSTRNXNTD-GUDVDZBRSA-N 1 0 358.482 2.145 20 30 FEEDRO CCCNC(=O)CN1CCC([NH2+]C2CC(C#N)(c3ccccc3)C2)CC1 ZINC000125857886 543905850 /nfs/dbraw/zinc/90/58/50/543905850.db2.gz YPFFUZJNHKMVHM-UHFFFAOYSA-N 1 0 354.498 2.191 20 30 FEEDRO CC[NH+]=C(NC[C@H]1CCOc2ccccc21)N[C@H]1CCc2nc(C)nn2C1 ZINC000125990018 543912168 /nfs/dbraw/zinc/91/21/68/543912168.db2.gz JBJMFBVTGVTISQ-CVEARBPZSA-N 1 0 368.485 2.023 20 30 FEEDRO CCC[C@H]1CN(C(=O)[C@@H](C)Oc2ccccc2C#N)CC[N@@H+]1CCOC ZINC000127935912 544022365 /nfs/dbraw/zinc/02/23/65/544022365.db2.gz OOSVERXLFGRYLM-AEFFLSMTSA-N 1 0 359.470 2.285 20 30 FEEDRO N#C[C@@H]1CN(C(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)CCO1 ZINC000127286560 543983146 /nfs/dbraw/zinc/98/31/46/543983146.db2.gz FAWLZUVOWQMJTD-GOSISDBHSA-N 1 0 358.442 2.308 20 30 FEEDRO C=CCOc1cc(OC)ccc1C(=O)N1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000127463653 543994542 /nfs/dbraw/zinc/99/45/42/543994542.db2.gz XSPHVTJBMDEVGE-KRWDZBQOSA-N 1 0 373.497 2.112 20 30 FEEDRO C[C@H]1C[C@@H](NS(=O)(=O)c2cccc(C#N)c2)C[N@@H+]1Cc1ccccc1 ZINC000128126193 544033976 /nfs/dbraw/zinc/03/39/76/544033976.db2.gz OGTKRJLPHLGITE-MAUKXSAKSA-N 1 0 355.463 2.500 20 30 FEEDRO N#Cc1cccnc1N1CCC[N@H+](Cc2c[nH]nc2-c2cccnc2)CC1 ZINC000129691546 544123190 /nfs/dbraw/zinc/12/31/90/544123190.db2.gz YGZABGDVYHKIOQ-UHFFFAOYSA-N 1 0 359.437 2.451 20 30 FEEDRO COc1cc[nH+]c(N2CCN(C(=O)c3c(F)cc(C#N)cc3F)CC2)c1 ZINC000133208641 544260439 /nfs/dbraw/zinc/26/04/39/544260439.db2.gz GPBBFSMBLTVLOI-UHFFFAOYSA-N 1 0 358.348 2.202 20 30 FEEDRO N#Cc1c2c(sc1NC(=O)CCN1CC(=O)N[C@@H]3CCCC[C@@H]31)CCC2 ZINC000133442083 544270287 /nfs/dbraw/zinc/27/02/87/544270287.db2.gz PSUGVWMMAZZDEN-CABCVRRESA-N 1 0 372.494 2.180 20 30 FEEDRO C[C@H](CNC(=O)N1CC(Oc2ccc(C#N)cc2)C1)C[NH+]1CCCCC1 ZINC000133795073 544283837 /nfs/dbraw/zinc/28/38/37/544283837.db2.gz DYFIQBHCRUZLDP-MRXNPFEDSA-N 1 0 356.470 2.453 20 30 FEEDRO N#CCCn1cc(C[NH2+]C[C@@]2(CCO)CCOC2)c(-c2ccccc2)n1 ZINC000134422374 544307630 /nfs/dbraw/zinc/30/76/30/544307630.db2.gz MRNSHSKLSCAMST-HXUWFJFHSA-N 1 0 354.454 2.342 20 30 FEEDRO C[N@H+](CCOc1cccc(CNC(=O)C2(C#N)CCC2)c1)C1CCOCC1 ZINC000134791384 544321678 /nfs/dbraw/zinc/32/16/78/544321678.db2.gz QQGZFNRLTHBKNM-UHFFFAOYSA-N 1 0 371.481 2.486 20 30 FEEDRO C=CCc1ccccc1OC[C@@H](O)C[NH+]1CCC(N2CCCNC2=O)CC1 ZINC000135433317 544346661 /nfs/dbraw/zinc/34/66/61/544346661.db2.gz HLYJQHXNPCGUOQ-IBGZPJMESA-N 1 0 373.497 2.035 20 30 FEEDRO CC(C)(C#N)c1ccccc1C[N@@H+]1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000135737721 544360275 /nfs/dbraw/zinc/36/02/75/544360275.db2.gz NFGNGNARSIIURM-KRWDZBQOSA-N 1 0 361.511 2.488 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@@H](Cc3nccn3C)C2)CC1 ZINC000139058463 544399488 /nfs/dbraw/zinc/39/94/88/544399488.db2.gz JFOLMXKSHWQRCL-KRWDZBQOSA-N 1 0 359.518 2.425 20 30 FEEDRO C[N@H+](CCNC(=O)C(=O)Nc1ccc(C#N)cc1F)Cc1ccc(F)cc1 ZINC000136535960 544374152 /nfs/dbraw/zinc/37/41/52/544374152.db2.gz NMERJXANCLEUCS-UHFFFAOYSA-N 1 0 372.375 2.023 20 30 FEEDRO C=CCNC(=O)c1ccc(NC(=O)N2CCC([NH+]3CC=CC3)CC2)cc1 ZINC000136777407 544378760 /nfs/dbraw/zinc/37/87/60/544378760.db2.gz QBBBEYFMJMBHAF-UHFFFAOYSA-N 1 0 354.454 2.471 20 30 FEEDRO COc1cc(/C=C/C(=O)N2CCC[N@@H+]3CCC[C@H]3C2)ccc1OCC#N ZINC000142287638 544416638 /nfs/dbraw/zinc/41/66/38/544416638.db2.gz GDDMNBZULPOFFT-JKNJVXJCSA-N 1 0 355.438 2.307 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CCO[C@]3(CCSC3)C2)CC1 ZINC000150929150 544487650 /nfs/dbraw/zinc/48/76/50/544487650.db2.gz VLSIBPCAMXRJJF-SJLPKXTDSA-N 1 0 353.532 2.381 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N2C[C@H](C(=O)OC)C[C@@H](c3ccccc3)C2)CC1 ZINC000151413307 544537829 /nfs/dbraw/zinc/53/78/29/544537829.db2.gz HAAOLQBZPVUJAS-WOJBJXKFSA-N 1 0 368.477 2.137 20 30 FEEDRO CC[C@@H](C(=O)NCCCc1nn(-c2ccc(C)cc2)c(N)c1C#N)[NH+](C)C ZINC000151094039 544503956 /nfs/dbraw/zinc/50/39/56/544503956.db2.gz SZSIFBDQVHZPLF-SFHVURJKSA-N 1 0 368.485 2.024 20 30 FEEDRO CCN(CC)c1ccc(C[NH2+]CCNC(=O)C2N=CC=CC2=O)cc1F ZINC000152253712 544630266 /nfs/dbraw/zinc/63/02/66/544630266.db2.gz IDSOVSIVJPMQQN-VHEBQXMUSA-N 1 0 360.433 2.288 20 30 FEEDRO C[NH+]1CCN(c2ccc(NC(=O)c3c(F)cc(C#N)cc3F)cn2)CC1 ZINC000152941976 544713997 /nfs/dbraw/zinc/71/39/97/544713997.db2.gz QFDCCHAFGYUPBO-UHFFFAOYSA-N 1 0 357.364 2.236 20 30 FEEDRO C[C@H](C(=O)Nc1ccccc1Cl)[N@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000153319541 544760015 /nfs/dbraw/zinc/76/00/15/544760015.db2.gz IZELRYZERHDTKX-LLVKDONJSA-N 1 0 360.849 2.409 20 30 FEEDRO C[C@@H](C(=O)NCc1ccc(Cl)cc1)[N@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000153319939 544760937 /nfs/dbraw/zinc/76/09/37/544760937.db2.gz SAUWTGWQDNDROA-LBPRGKRZSA-N 1 0 374.876 2.086 20 30 FEEDRO COc1ccc(C)cc1NC(=O)[C@H](C)[N@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000153324314 544761921 /nfs/dbraw/zinc/76/19/21/544761921.db2.gz USJJVCYBLLMOQO-ZDUSSCGKSA-N 1 0 370.457 2.072 20 30 FEEDRO C[NH+]=C(NCC1(c2ccc(F)cc2)CCOCC1)N(C)C[C@H]1CCOC1 ZINC000153903323 544837647 /nfs/dbraw/zinc/83/76/47/544837647.db2.gz YGPLXJKLIABBRY-MRXNPFEDSA-N 1 0 363.477 2.418 20 30 FEEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H]1CCCC[N@H+]1CC(C)C ZINC000154111966 544866041 /nfs/dbraw/zinc/86/60/41/544866041.db2.gz OAFPVMLMAIMXHM-KRWDZBQOSA-N 1 0 372.513 2.423 20 30 FEEDRO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N(C)Cc1cn(C)nc1C(F)(F)F ZINC000155069056 544983766 /nfs/dbraw/zinc/98/37/66/544983766.db2.gz XPKBTRFPTOZADY-NHYWBVRUSA-N 1 0 359.396 2.314 20 30 FEEDRO C=CCSCCNC(=O)C(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000552519276 674213253 /nfs/dbraw/zinc/21/32/53/674213253.db2.gz WKGUFFFQWGXSDK-HNNXBMFYSA-N 1 0 369.918 2.094 20 30 FEEDRO N#Cc1ccc2ncc(C[NH2+]C[C@H]3CC(=O)N(Cc4ccccc4)C3)n2c1 ZINC000179059415 327623332 /nfs/dbraw/zinc/62/33/32/327623332.db2.gz WLFMVNBOWDWWKA-GOSISDBHSA-N 1 0 359.433 2.344 20 30 FEEDRO CC(C)(C)OC(=O)NC[C@@H]([NH2+]CC(=O)Nc1cccc(C#N)c1)C1CC1 ZINC000185222025 327906501 /nfs/dbraw/zinc/90/65/01/327906501.db2.gz KDTSZPQKSCMPKN-MRXNPFEDSA-N 1 0 358.442 2.390 20 30 FEEDRO COc1cc(C#N)ccc1S(=O)(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000185650993 327926345 /nfs/dbraw/zinc/92/63/45/327926345.db2.gz CHZWBXCITOQKFT-MRXNPFEDSA-N 1 0 353.488 2.212 20 30 FEEDRO C[NH+](C)C1(CNS(=O)(=O)c2cccc(Br)c2C#N)CCC1 ZINC000553866079 674290436 /nfs/dbraw/zinc/29/04/36/674290436.db2.gz HTYPQPZVHUANEP-UHFFFAOYSA-N 1 0 372.288 2.083 20 30 FEEDRO N#Cc1ccc(Cl)c(S(=O)(=O)NC2CC[NH+](CC3CC3)CC2)c1 ZINC000186368286 327958898 /nfs/dbraw/zinc/95/88/98/327958898.db2.gz FBGDYFMLKBRFSQ-UHFFFAOYSA-N 1 0 353.875 2.364 20 30 FEEDRO Cc1nc(C#N)c(N2CCC(C(=O)NC[C@H](C)[N@@H+]3CCC[C@H](C)C3)CC2)o1 ZINC000189102677 328128825 /nfs/dbraw/zinc/12/88/25/328128825.db2.gz JOEASFQFWUNKHS-GJZGRUSLSA-N 1 0 373.501 2.308 20 30 FEEDRO CCCN(CCC[NH+](C)C)C(=O)c1ccc(-n2ncc(C#N)c2N)cc1 ZINC000189263209 328137967 /nfs/dbraw/zinc/13/79/67/328137967.db2.gz VHFJFIBZYNDRJG-UHFFFAOYSA-N 1 0 354.458 2.130 20 30 FEEDRO C[C@@H](C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)[NH+]1CCCCCC1 ZINC000191075978 328248702 /nfs/dbraw/zinc/24/87/02/328248702.db2.gz ODQHMLBOCFVLBE-LPHOPBHVSA-N 1 0 368.481 2.040 20 30 FEEDRO C[C@@H](C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)[NH+]1[C@H](C)CC[C@H]1C ZINC000191083248 328249324 /nfs/dbraw/zinc/24/93/24/328249324.db2.gz GSYFQKHWYPMIJD-OAFZBRQQSA-N 1 0 368.481 2.037 20 30 FEEDRO C[C@H](CNC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C)C[NH+]1CCCCC1 ZINC000192743154 328336674 /nfs/dbraw/zinc/33/66/74/328336674.db2.gz PCAJLOFLASFYEY-OAHLLOKOSA-N 1 0 373.501 2.291 20 30 FEEDRO C[NH+](C)C[C@@H]1CCN(S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)C1 ZINC000083537969 325218546 /nfs/dbraw/zinc/21/85/46/325218546.db2.gz VCIPNQYTYIYZPB-NSHDSACASA-N 1 0 361.389 2.149 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(-c3cccs3)[nH]n2)c1C#N ZINC000089662939 325326026 /nfs/dbraw/zinc/32/60/26/325326026.db2.gz GUFPKVOCJLVWEA-UHFFFAOYSA-N 1 0 355.427 2.137 20 30 FEEDRO CCc1c(C(=O)Nc2n[nH]c(CCC[NH2+]C)c2C#N)[nH]c(C)c1C(C)=O ZINC000089674737 325326284 /nfs/dbraw/zinc/32/62/84/325326284.db2.gz HPHRYZXQJRLZSE-UHFFFAOYSA-N 1 0 356.430 2.087 20 30 FEEDRO Cc1nc2n(n1)C[C@H]([NH2+][C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1)CC2 ZINC000112549560 325789658 /nfs/dbraw/zinc/78/96/58/325789658.db2.gz DQZMBXWTCNJGEX-QMTHXVAHSA-N 1 0 358.833 2.043 20 30 FEEDRO CCN(CC)C(=O)C1([NH2+]C[C@@H](O)COc2ccc(C#N)cc2)CCCCC1 ZINC000118847262 326107109 /nfs/dbraw/zinc/10/71/09/326107109.db2.gz VOIDQQDKQGSHFM-GOSISDBHSA-N 1 0 373.497 2.459 20 30 FEEDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)Nc1ccc(C#N)cc1F ZINC000245986440 328582824 /nfs/dbraw/zinc/58/28/24/328582824.db2.gz KHNQISBEWZDOAX-MCIONIFRSA-N 1 0 360.433 2.118 20 30 FEEDRO N#Cc1ccc(Oc2ccc(NC(=O)N3CCN(CCO)CC3)cc2)cc1 ZINC000120244239 326243310 /nfs/dbraw/zinc/24/33/10/326243310.db2.gz NFNZGHJITXINSP-UHFFFAOYSA-N 1 0 366.421 2.492 20 30 FEEDRO C[N@H+](CCCc1[nH]nc(N)c1C#N)[C@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000121456905 326340169 /nfs/dbraw/zinc/34/01/69/326340169.db2.gz IIIKUUQTXWVJED-INIZCTEOSA-N 1 0 372.860 2.187 20 30 FEEDRO C[C@@H]([NH3+])[C@H]1CCCN(S(=O)(=O)c2cc(Br)cc(C#N)c2)C1 ZINC000124327507 326451819 /nfs/dbraw/zinc/45/18/19/326451819.db2.gz VAPSBUDVAWXNCT-PWSUYJOCSA-N 1 0 372.288 2.069 20 30 FEEDRO N#Cc1cc(F)ccc1S(=O)(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000125146595 326466155 /nfs/dbraw/zinc/46/61/55/326466155.db2.gz GBYWEQZMKSKZLX-UHFFFAOYSA-N 1 0 351.447 2.383 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(N3CCC(C)=N3)cc2)c1C#N ZINC000128124824 326518214 /nfs/dbraw/zinc/51/82/14/326518214.db2.gz OKRRFSSLLBACHU-UHFFFAOYSA-N 1 0 365.441 2.272 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(F)cc2OC(F)F)c1C#N ZINC000133257160 326605556 /nfs/dbraw/zinc/60/55/56/326605556.db2.gz BBTHGHNAJIRXNQ-UHFFFAOYSA-N 1 0 367.331 2.426 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2ccnc(OC3CCC3)c2)c1C#N ZINC000134104911 326619893 /nfs/dbraw/zinc/61/98/93/326619893.db2.gz QPYJGRHAFLIXPA-UHFFFAOYSA-N 1 0 354.414 2.012 20 30 FEEDRO Cc1ccc([C@@H](CNC(=O)C(=O)Nc2ccc(C#N)cc2F)[NH+](C)C)cc1 ZINC000136116805 326650070 /nfs/dbraw/zinc/65/00/70/326650070.db2.gz DPHGQNFTLKSFGE-GOSISDBHSA-N 1 0 368.412 2.363 20 30 FEEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000150845630 326669390 /nfs/dbraw/zinc/66/93/90/326669390.db2.gz VOXFLJXUIBSZNM-KRWDZBQOSA-N 1 0 370.497 2.273 20 30 FEEDRO N#Cc1ccc(Cl)c(NC(=O)C(=O)N2CC[NH+](C3CCCC3)CC2)c1 ZINC000154806695 326769599 /nfs/dbraw/zinc/76/95/99/326769599.db2.gz AXDXABSHDZCDTE-UHFFFAOYSA-N 1 0 360.845 2.237 20 30 FEEDRO Cn1cc(C(=O)NCC2CC[NH+](Cc3ccc(C#N)cc3F)CC2)cn1 ZINC000154862785 326770999 /nfs/dbraw/zinc/77/09/99/326770999.db2.gz PRSWLVWHGRDLGT-UHFFFAOYSA-N 1 0 355.417 2.073 20 30 FEEDRO C[NH+](C)CCCOc1ccc(CNS(=O)(=O)c2ccccc2C#N)cc1 ZINC000157201298 326858063 /nfs/dbraw/zinc/85/80/63/326858063.db2.gz RFTNQLGKGWAFMW-UHFFFAOYSA-N 1 0 373.478 2.367 20 30 FEEDRO CNC(=O)[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000170910121 327107145 /nfs/dbraw/zinc/10/71/45/327107145.db2.gz SGQLKDOJZHBYDA-AWEZNQCLSA-N 1 0 360.483 2.038 20 30 FEEDRO CNC(=O)CC[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000171670717 327153955 /nfs/dbraw/zinc/15/39/55/327153955.db2.gz XCIXENHWUDZVEA-GFCCVEGCSA-N 1 0 362.499 2.141 20 30 FEEDRO C[N@H+](CCCO)C1CCN(C(=O)Nc2cc(C#N)cn2C(C)(C)C)CC1 ZINC000172048815 327177837 /nfs/dbraw/zinc/17/78/37/327177837.db2.gz BYKUSVITEMIGRF-UHFFFAOYSA-N 1 0 361.490 2.425 20 30 FEEDRO C[NH+](C)Cc1cccc(CNC(=O)NCCOc2ccc(C#N)cc2)c1 ZINC000172825938 327221098 /nfs/dbraw/zinc/22/10/98/327221098.db2.gz SGZMHDYULMAVJM-UHFFFAOYSA-N 1 0 352.438 2.498 20 30 FEEDRO C[NH+]1CCN(CCOc2ccc(NC(=O)c3sccc3C#N)cc2)CC1 ZINC000174040398 327302893 /nfs/dbraw/zinc/30/28/93/327302893.db2.gz ZHZASPGGVTWEHT-UHFFFAOYSA-N 1 0 370.478 2.498 20 30 FEEDRO Cc1cccc(NC(=O)C(=O)NCc2cccc(C[NH+](C)C)c2)c1C#N ZINC000174650809 327341543 /nfs/dbraw/zinc/34/15/43/327341543.db2.gz ZXNIHWKCUIEYIM-UHFFFAOYSA-N 1 0 350.422 2.183 20 30 FEEDRO Cc1cccc(NC(=O)C(=O)NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)c1C#N ZINC000174767812 327349600 /nfs/dbraw/zinc/34/96/00/327349600.db2.gz BLYRBPAUYYWDGZ-VBKZILBWSA-N 1 0 356.470 2.432 20 30 FEEDRO N#Cc1ccc(C[NH2+]CCC(=O)N2CCN(c3ccccc3)CC2)s1 ZINC000176959008 327487266 /nfs/dbraw/zinc/48/72/66/327487266.db2.gz OLPQNWOXXSDWRK-UHFFFAOYSA-N 1 0 354.479 2.448 20 30 FEEDRO COc1cc[nH+]c(N2CCN(C(=O)Nc3ccc(F)cc3C#N)CC2)c1 ZINC000177908580 327552679 /nfs/dbraw/zinc/55/26/79/327552679.db2.gz FBCNBEFGCYXGPE-UHFFFAOYSA-N 1 0 355.373 2.455 20 30 FEEDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NS(=O)(=O)c1ccc(C#N)nc1 ZINC000267289189 329311041 /nfs/dbraw/zinc/31/10/41/329311041.db2.gz QWOBMMPFGCJPNF-HNAYVOBHSA-N 1 0 370.478 2.142 20 30 FEEDRO C[C@H](CNC(=O)C(=O)Nc1ccc(C#N)cc1Cl)[NH+]1CCC(C)CC1 ZINC000269115545 329487118 /nfs/dbraw/zinc/48/71/18/329487118.db2.gz QZNRHCBNODGNSJ-CYBMUJFWSA-N 1 0 362.861 2.387 20 30 FEEDRO C[NH+]1CCC([C@H]2CCN(S(=O)(=O)c3c(F)cc(C#N)cc3F)C2)CC1 ZINC000270280579 329587786 /nfs/dbraw/zinc/58/77/86/329587786.db2.gz XYNIOPBYCNKARE-AWEZNQCLSA-N 1 0 369.437 2.189 20 30 FEEDRO CS[C@H]1CN(CC(=O)Nc2cc(Cl)ccc2C#N)C[C@@H]1[NH+](C)C ZINC000270639247 329617635 /nfs/dbraw/zinc/61/76/35/329617635.db2.gz ITWQELBXBHOJRA-GJZGRUSLSA-N 1 0 352.891 2.128 20 30 FEEDRO C[NH+](C)C1CN(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)C1 ZINC000273487272 329868859 /nfs/dbraw/zinc/86/88/59/329868859.db2.gz MZLAFVUCZKMIFK-UHFFFAOYSA-N 1 0 374.495 2.480 20 30 FEEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[NH2+][C@H](C)[C@@H](C)CO)c1C#N ZINC000273951458 329904901 /nfs/dbraw/zinc/90/49/01/329904901.db2.gz FMWLIFHUQLFJRC-GXTWGEPZSA-N 1 0 358.442 2.163 20 30 FEEDRO N#Cc1ccc(NC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCC2)c(Cl)c1 ZINC000275989092 330109416 /nfs/dbraw/zinc/10/94/16/330109416.db2.gz JMEDBGPFGMCXTB-AWEZNQCLSA-N 1 0 360.845 2.237 20 30 FEEDRO COCCOCCOCCN(C)Cc1ccc(C#N)cc1Br ZINC000276280956 330136513 /nfs/dbraw/zinc/13/65/13/330136513.db2.gz RSAXDUBEHCDKKQ-UHFFFAOYSA-N 1 0 371.275 2.432 20 30 FEEDRO COc1cc(C[NH2+]C2CCN(S(=O)(=O)CC(C)C)CC2)ccc1C#N ZINC000281826760 330177735 /nfs/dbraw/zinc/17/77/35/330177735.db2.gz XJYHZXSMDJUAKF-UHFFFAOYSA-N 1 0 365.499 2.107 20 30 FEEDRO CC(C)Oc1ccc(NC(=O)N[C@H]2CCC[N@H+](CCCO)C2)cc1C#N ZINC000297125663 330194239 /nfs/dbraw/zinc/19/42/39/330194239.db2.gz PIYVFCNHWICTTQ-KRWDZBQOSA-N 1 0 360.458 2.314 20 30 FEEDRO COc1cc(C[NH+]2CCC(C(=O)N3C[C@@H](C)O[C@H](C)C3)CC2)ccc1C#N ZINC000367031127 330209173 /nfs/dbraw/zinc/20/91/73/330209173.db2.gz SDVNZZIBFZXOIB-HZPDHXFCSA-N 1 0 371.481 2.415 20 30 FEEDRO N#Cc1ccc(OCCCN2CC[NH+](C3(C(N)=O)CCCCC3)CC2)cc1 ZINC000369329553 330240125 /nfs/dbraw/zinc/24/01/25/330240125.db2.gz LMWUTHQRDYXJEC-UHFFFAOYSA-N 1 0 370.497 2.133 20 30 FEEDRO CN(C)[C@H](C[NH2+]CCS(=O)(=O)c1cccc(C#N)c1)c1ccsc1 ZINC000554797871 674336979 /nfs/dbraw/zinc/33/69/79/674336979.db2.gz CWNQKOXJVZFITR-QGZVFWFLSA-N 1 0 363.508 2.286 20 30 FEEDRO CN(CC(=O)N[C@](C)(C#N)C1CC1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000247556691 549356607 /nfs/dbraw/zinc/35/66/07/549356607.db2.gz QJZFLFPQOUIYHE-WIYYLYMNSA-N 1 0 354.498 2.249 20 30 FEEDRO C[C@@H]1CN(c2nccnc2C#N)CCN1Cc1nc2cc(F)ccc2o1 ZINC000155519709 545536929 /nfs/dbraw/zinc/53/69/29/545536929.db2.gz ZVGDZGKGXHBULO-GFCCVEGCSA-N 1 0 352.373 2.339 20 30 FEEDRO CC[S@](=O)[C@H]1CCC[C@H](NC(NCc2cccc3c2OCO3)=[NH+]C)C1 ZINC000155928717 545584516 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20 30 FEEDRO C[C@@H](Oc1ccccc1C#N)C(=O)N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000158333367 545849197 /nfs/dbraw/zinc/84/91/97/545849197.db2.gz WEPCVMRGPQUMCF-MJGOQNOKSA-N 1 0 371.481 2.429 20 30 FEEDRO CC[NH+]1CCN(c2ccc(C(=O)NC3(C#N)CCSCC3)cc2)CC1 ZINC000162517196 546140554 /nfs/dbraw/zinc/14/05/54/546140554.db2.gz SUQLCOGVDOKZRS-UHFFFAOYSA-N 1 0 358.511 2.348 20 30 FEEDRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)S(=O)(=O)CC1(C#N)CC1 ZINC000166250971 546155671 /nfs/dbraw/zinc/15/56/71/546155671.db2.gz JQJLAGKVPGSFSY-UHFFFAOYSA-N 1 0 362.499 2.253 20 30 FEEDRO C=CCc1cc(CNC(=O)c2csc(CC[NH3+])n2)cc(OC)c1OC ZINC000479150490 561182830 /nfs/dbraw/zinc/18/28/30/561182830.db2.gz LWECONGZOJDWNW-UHFFFAOYSA-N 1 0 361.467 2.320 20 30 FEEDRO COc1ccccc1CNC(=[NH2+])NC[C@H](c1ccc(C)o1)N1CCOCC1 ZINC000170909194 546181450 /nfs/dbraw/zinc/18/14/50/546181450.db2.gz YGTVKZKSWSWCKX-QGZVFWFLSA-N 1 0 372.469 2.074 20 30 FEEDRO COc1ccccc1CNC(=[NH2+])NCc1ccc(CN2CCCC2=O)cc1 ZINC000170912110 546182879 /nfs/dbraw/zinc/18/28/79/546182879.db2.gz KEQIGKROBQVNTD-UHFFFAOYSA-N 1 0 366.465 2.422 20 30 FEEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000479263425 561186144 /nfs/dbraw/zinc/18/61/44/561186144.db2.gz MXKZAZGREMGWLA-UHFFFAOYSA-N 1 0 356.470 2.201 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N[C@H](C)c2ccc(-n3cncn3)cc2)CC1 ZINC000171702279 546218987 /nfs/dbraw/zinc/21/89/87/546218987.db2.gz SPQZAJGDXKTJLV-OAHLLOKOSA-N 1 0 354.458 2.278 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)CN2C(=S)N=NC2c2cccc(C)c2)CC1 ZINC000171719733 546220220 /nfs/dbraw/zinc/22/02/20/546220220.db2.gz YTFBZFOOSAQFFJ-UHFFFAOYSA-N 1 0 371.510 2.309 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C2=NN(Cc3ccc(F)cc3)C(=O)CC2)CC1 ZINC000171718160 546220665 /nfs/dbraw/zinc/22/06/65/546220665.db2.gz MYXLQCMFWJSPNY-UHFFFAOYSA-N 1 0 372.444 2.071 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N2CCCN(C(=O)OCC(C)C)CC2)CC1 ZINC000171737004 546222937 /nfs/dbraw/zinc/22/29/37/546222937.db2.gz HDTWPXUBWUUHIY-UHFFFAOYSA-N 1 0 366.506 2.147 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N(CCOC)Cc2ccc(C#N)cc2)CC1 ZINC000171739283 546223508 /nfs/dbraw/zinc/22/35/08/546223508.db2.gz FYHYOTNSEVMSDY-UHFFFAOYSA-N 1 0 356.470 2.367 20 30 FEEDRO C#CCOc1ccc(C[NH2+]CC2CCN(S(=O)(=O)C(F)F)CC2)cc1 ZINC000172120911 546236924 /nfs/dbraw/zinc/23/69/24/546236924.db2.gz HZQCITWOKQWLGM-UHFFFAOYSA-N 1 0 372.437 2.053 20 30 FEEDRO C=CC[C@H](CO)C[NH2+][C@@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479403109 561189124 /nfs/dbraw/zinc/18/91/24/561189124.db2.gz XTBHRMVMSFCKGR-UWVGGRQHSA-N 1 0 367.298 2.476 20 30 FEEDRO C#CCSCCNC(=O)C(=O)Nc1cccc2c1C[N@H+]([C@H](C)C(C)C)C2 ZINC000172542814 546257184 /nfs/dbraw/zinc/25/71/84/546257184.db2.gz ITJJPPNKVCROOM-OAHLLOKOSA-N 1 0 373.522 2.468 20 30 FEEDRO Cc1cc(C#N)ccc1S(=O)(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000172673260 546263764 /nfs/dbraw/zinc/26/37/64/546263764.db2.gz GMSLCTVCYZJJRC-UHFFFAOYSA-N 1 0 373.478 2.286 20 30 FEEDRO CC[NH+]1CCN(c2ccc(C(=O)Nc3ccn(CCC#N)n3)cc2)CC1 ZINC000173698512 546285772 /nfs/dbraw/zinc/28/57/72/546285772.db2.gz RSKVLOBUDRRMIA-UHFFFAOYSA-N 1 0 352.442 2.191 20 30 FEEDRO C=CCOc1ccc(C[NH2+]C[C@@](C)(O)CN2CCOCC2)cc1Cl ZINC000174489507 546298226 /nfs/dbraw/zinc/29/82/26/546298226.db2.gz XUZYEUQUIANBOL-GOSISDBHSA-N 1 0 354.878 2.078 20 30 FEEDRO C[NH+](C)CCN(Cc1cccs1)C(=O)C(=O)Nc1ccc(F)cc1C#N ZINC000176111257 546408560 /nfs/dbraw/zinc/40/85/60/546408560.db2.gz BBFSFYOAKKFCFJ-UHFFFAOYSA-N 1 0 374.441 2.288 20 30 FEEDRO CC(C)OCC[NH+]1CCC(NC(=O)NCc2ccc(C#N)cc2F)CC1 ZINC000176336377 546433444 /nfs/dbraw/zinc/43/34/44/546433444.db2.gz RLUNMGFAVUTHJY-UHFFFAOYSA-N 1 0 362.449 2.386 20 30 FEEDRO C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1 ZINC000177738806 546677311 /nfs/dbraw/zinc/67/73/11/546677311.db2.gz WOJNAGLEVKGGFI-QGZVFWFLSA-N 1 0 356.470 2.241 20 30 FEEDRO N#CCc1cccc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2CO)c1 ZINC000178441314 546795060 /nfs/dbraw/zinc/79/50/60/546795060.db2.gz UAKHJLJEPZRDOF-LEWJYISDSA-N 1 0 363.461 2.365 20 30 FEEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(-n2ccnn2)cc1 ZINC000179019634 546887439 /nfs/dbraw/zinc/88/74/39/546887439.db2.gz WBWJZHHWELQNBN-UHFFFAOYSA-N 1 0 374.448 2.343 20 30 FEEDRO C#CCOc1ccccc1C[NH2+]CCOc1ccc(NS(C)(=O)=O)cc1 ZINC000180351869 547089315 /nfs/dbraw/zinc/08/93/15/547089315.db2.gz IDDUCEGCDATFQF-UHFFFAOYSA-N 1 0 374.462 2.239 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H]2COC3(CCCCC3)O2)CC1 ZINC000180717120 547165280 /nfs/dbraw/zinc/16/52/80/547165280.db2.gz LHJCJOMHJXCCSL-QGZVFWFLSA-N 1 0 351.491 2.402 20 30 FEEDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCNC(=O)C1N=CC=CC1=O ZINC000180867186 547197719 /nfs/dbraw/zinc/19/77/19/547197719.db2.gz KAWPOTYGLOLDPJ-FKEVTRRJSA-N 1 0 358.398 2.032 20 30 FEEDRO C=CCNC(=O)c1ccc(NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)nc1 ZINC000181144897 547258192 /nfs/dbraw/zinc/25/81/92/547258192.db2.gz MAUAJRXHAOWUFP-LJQANCHMSA-N 1 0 366.465 2.176 20 30 FEEDRO C=CCNC(=O)CNC(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000181201477 547269824 /nfs/dbraw/zinc/26/98/24/547269824.db2.gz UJWWJDHNQPEDRJ-INIZCTEOSA-N 1 0 364.877 2.078 20 30 FEEDRO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@H](C)c1cccc(N2CCCC2=O)c1 ZINC000181411758 547310970 /nfs/dbraw/zinc/31/09/70/547310970.db2.gz KBWQUXQYRGEADD-HZPDHXFCSA-N 1 0 356.470 2.472 20 30 FEEDRO C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)NCCC[N@@H+]1CCCC[C@H]1C ZINC000181655811 547352937 /nfs/dbraw/zinc/35/29/37/547352937.db2.gz XVPRKQZCBKGOLJ-CVEARBPZSA-N 1 0 372.469 2.297 20 30 FEEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)N[C@@H]3CCCOCC3)CC2)cc1 ZINC000181800307 547384164 /nfs/dbraw/zinc/38/41/64/547384164.db2.gz RXKDFJCGNDMKKJ-LJQANCHMSA-N 1 0 356.470 2.345 20 30 FEEDRO CC[NH+](CC)C[C@H]1CCN(C(=O)C(=O)Nc2ccccc2O[C@H](C)C#N)C1 ZINC000181880970 547396534 /nfs/dbraw/zinc/39/65/34/547396534.db2.gz CETIAYYZIFJHEG-HZPDHXFCSA-N 1 0 372.469 2.106 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccccc2CN2CCNC2=O)CC1 ZINC000182746698 547545214 /nfs/dbraw/zinc/54/52/14/547545214.db2.gz DCQOIQMEYIJAAN-UHFFFAOYSA-N 1 0 371.485 2.374 20 30 FEEDRO N#Cc1ccc(N2CCC[C@H]([N@@H+]3CCC[C@H](Cn4cncn4)C3)C2=O)cc1 ZINC000182790722 547552957 /nfs/dbraw/zinc/55/29/57/547552957.db2.gz AHBQWPBKFBGUPB-HKUYNNGSSA-N 1 0 364.453 2.057 20 30 FEEDRO C=CCCC[N@@H+](C)CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000182790648 547553118 /nfs/dbraw/zinc/55/31/18/547553118.db2.gz LLGANEWOSACULV-LJQANCHMSA-N 1 0 358.461 2.433 20 30 FEEDRO C[NH+](C)CC1(CNC(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)CCCC1 ZINC000183357637 547643841 /nfs/dbraw/zinc/64/38/41/547643841.db2.gz GOLGVUJLODRKQW-UHFFFAOYSA-N 1 0 362.861 2.388 20 30 FEEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+][C@H](CCO)C2CCCCC2)c1 ZINC000183713672 547705505 /nfs/dbraw/zinc/70/55/05/547705505.db2.gz SXBPCABCDRRACH-GOSISDBHSA-N 1 0 350.484 2.253 20 30 FEEDRO CC(C)(CNC(=O)Nc1cnn(-c2ncccc2C#N)c1)C[NH+]1CCCC1 ZINC000484782839 561305971 /nfs/dbraw/zinc/30/59/71/561305971.db2.gz KOGFQAWAKPZPOL-UHFFFAOYSA-N 1 0 367.457 2.382 20 30 FEEDRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)CCCCOc1cccc(C#N)c1 ZINC000184393628 547819727 /nfs/dbraw/zinc/81/97/27/547819727.db2.gz VGQRWQONQPXZMI-GOSISDBHSA-N 1 0 372.513 2.250 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N[C@H](C(=O)OCC)c2cccc(C)c2C)CC1 ZINC000184437956 547826614 /nfs/dbraw/zinc/82/66/14/547826614.db2.gz XFBBYDFNVMTNHL-IBGZPJMESA-N 1 0 356.466 2.369 20 30 FEEDRO CCC[NH+]1CCC(N(C)C(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1 ZINC000184629302 547856407 /nfs/dbraw/zinc/85/64/07/547856407.db2.gz XZKVSEWYJZKICM-UHFFFAOYSA-N 1 0 367.457 2.477 20 30 FEEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH2+][C@@H]2CCCC[C@@H]2C(N)=O)c1 ZINC000184800754 547880864 /nfs/dbraw/zinc/88/08/64/547880864.db2.gz CTCFGWHAEUYRES-ZWKOTPCHSA-N 1 0 356.470 2.184 20 30 FEEDRO COC(=O)COc1ccc([C@@H](C)[NH2+]C[C@@H](O)c2ccc(C#N)cc2)cc1 ZINC000185671599 548018413 /nfs/dbraw/zinc/01/84/13/548018413.db2.gz GNBBIMKFOVFWPJ-AUUYWEPGSA-N 1 0 354.406 2.494 20 30 FEEDRO C=CC[C@@H](CO)[NH2+][C@H](C)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000186717823 548179507 /nfs/dbraw/zinc/17/95/07/548179507.db2.gz QEQMFPYCXKAJCO-ZBFHGGJFSA-N 1 0 364.467 2.346 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)Nc2ccn(Cc3ccc(OC)cc3)n2)CC1 ZINC000186963832 548230166 /nfs/dbraw/zinc/23/01/66/548230166.db2.gz XKNZYPWJZIPXHB-UHFFFAOYSA-N 1 0 352.438 2.224 20 30 FEEDRO [NH2+]=C(NCc1ccc(N2CCCS2(=O)=O)c(F)c1)NC1CCCCC1 ZINC000187046574 548248105 /nfs/dbraw/zinc/24/81/05/548248105.db2.gz CUMQFTSGOOIQSY-UHFFFAOYSA-N 1 0 368.478 2.103 20 30 FEEDRO COc1cc([C@H](C#N)NC(=O)CC2CC[NH+](C)CC2)cc(OC)c1OC ZINC000486121514 561338586 /nfs/dbraw/zinc/33/85/86/561338586.db2.gz PBJQLBGUEMHUKL-HNNXBMFYSA-N 1 0 361.442 2.125 20 30 FEEDRO C=C(C)CN(CC)C(=O)[C@H](C)N(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188280261 548276920 /nfs/dbraw/zinc/27/69/20/548276920.db2.gz IPHANNYXEZEVEJ-SIKLNZKXSA-N 1 0 373.541 2.368 20 30 FEEDRO CC[C@]1(CO)CCC[N@@H+]1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000189674741 548307688 /nfs/dbraw/zinc/30/76/88/548307688.db2.gz GZMATNNDDLOQIE-GOSISDBHSA-N 1 0 368.399 2.410 20 30 FEEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+](C)CC2(O)CCOCC2)c1 ZINC000189767148 548310864 /nfs/dbraw/zinc/31/08/64/548310864.db2.gz QGXDAGCTQJSECB-UHFFFAOYSA-N 1 0 359.470 2.023 20 30 FEEDRO C=CCN(CCOC)C(=O)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000190719169 548331838 /nfs/dbraw/zinc/33/18/38/548331838.db2.gz KUNDHHKMQODOIY-UHFFFAOYSA-N 1 0 359.470 2.272 20 30 FEEDRO CCCN(CCC[NH+](C)C)C(=O)C1CCN(c2oc(C)nc2C#N)CC1 ZINC000194301314 548462271 /nfs/dbraw/zinc/46/22/71/548462271.db2.gz VAFGZOJYKASKAZ-UHFFFAOYSA-N 1 0 361.490 2.261 20 30 FEEDRO N#Cc1cccc(NC(=O)C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000194634164 548509410 /nfs/dbraw/zinc/50/94/10/548509410.db2.gz JCHRXLFWLPBXAU-GOSISDBHSA-N 1 0 362.433 2.135 20 30 FEEDRO N#Cc1ccc(CN2CC[C@@H]([NH2+]Cc3cc(-c4cccnc4)n[nH]3)C2=O)cc1 ZINC000486887786 561358994 /nfs/dbraw/zinc/35/89/94/561358994.db2.gz STZFFXWAIHAELW-LJQANCHMSA-N 1 0 372.432 2.234 20 30 FEEDRO C[C@@H]1CN(CCN(C)CC(=O)Nc2cc(Cl)ccc2C#N)C[C@H](C)O1 ZINC000195322292 548622470 /nfs/dbraw/zinc/62/24/70/548622470.db2.gz YZOJHUMUZDUUQV-OKILXGFUSA-N 1 0 364.877 2.191 20 30 FEEDRO N#Cc1ccc(N2CC[C@@H](N3CC[C@@H](C[NH+]4CCCCC4)C3)C2=O)cc1 ZINC000245453214 548925060 /nfs/dbraw/zinc/92/50/60/548925060.db2.gz QZEZPNFPIZKYKZ-AZUAARDMSA-N 1 0 352.482 2.471 20 30 FEEDRO COc1cc(C#N)ccc1OCCCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000245458104 548926577 /nfs/dbraw/zinc/92/65/77/548926577.db2.gz UTKCFNYSDHQMHV-SJORKVTESA-N 1 0 357.454 2.421 20 30 FEEDRO C=CCC[C@H](O)C[N@H+]1CCC[C@@H](CNS(=O)(=O)c2ccc(C)cc2)C1 ZINC000246042420 549041028 /nfs/dbraw/zinc/04/10/28/549041028.db2.gz SBIUOBPXFCJHKZ-ROUUACIJSA-N 1 0 366.527 2.312 20 30 FEEDRO COC(=O)[C@@H]1C[C@H](c2ccccc2)C[N@@H+]([C@H](C)C(=O)N(C)CCC#N)C1 ZINC000246291427 549098124 /nfs/dbraw/zinc/09/81/24/549098124.db2.gz OWCXWLOJHJGHAT-BPQIPLTHSA-N 1 0 357.454 2.026 20 30 FEEDRO C[C@@H](NC(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1)C(C)(C)C[NH+](C)C ZINC000246383763 549120463 /nfs/dbraw/zinc/12/04/63/549120463.db2.gz RTULLBICYSAREP-MJGOQNOKSA-N 1 0 371.529 2.382 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc1C(F)(F)F ZINC000246587151 549169078 /nfs/dbraw/zinc/16/90/78/549169078.db2.gz WMTNFIRGWMNUQZ-LBPRGKRZSA-N 1 0 359.373 2.046 20 30 FEEDRO C=CCOc1cccc(NC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000246934966 549246123 /nfs/dbraw/zinc/24/61/23/549246123.db2.gz GRNBZAQDQCBWMP-MAUKXSAKSA-N 1 0 357.454 2.133 20 30 FEEDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)C1 ZINC000247117789 549286794 /nfs/dbraw/zinc/28/67/94/549286794.db2.gz RMUYAMASGBLLGW-AQNXPRMDSA-N 1 0 369.513 2.279 20 30 FEEDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)C1 ZINC000247117812 549286848 /nfs/dbraw/zinc/28/68/48/549286848.db2.gz RMUYAMASGBLLGW-ZCNNSNEGSA-N 1 0 369.513 2.279 20 30 FEEDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNS(=O)(=O)c2cnc(C)c(C#N)c2)C1 ZINC000489248582 561406468 /nfs/dbraw/zinc/40/64/68/561406468.db2.gz GXZGJXGFOWFNKR-OAHLLOKOSA-N 1 0 364.515 2.441 20 30 FEEDRO CNC(=O)[C@@H]([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1)C(C)C ZINC000489271817 561407089 /nfs/dbraw/zinc/40/70/89/561407089.db2.gz UOOGMCKGRSDJDS-SFHVURJKSA-N 1 0 373.501 2.390 20 30 FEEDRO C[N@@H+]1CCC[C@H]2CN(C(=O)Nc3cnn(-c4ncccc4C#N)c3)CC[C@H]21 ZINC000248395067 549426800 /nfs/dbraw/zinc/42/68/00/549426800.db2.gz OBRBUGPQQNDROB-DOTOQJQBSA-N 1 0 365.441 2.087 20 30 FEEDRO C=CCNC(=O)C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000248398014 549428190 /nfs/dbraw/zinc/42/81/90/549428190.db2.gz MLTMDDVBNSUBFV-XHSDSOJGSA-N 1 0 351.491 2.446 20 30 FEEDRO CO[C@@H]1CC[C@@H]2OCCN([C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)[C@H]2C1 ZINC000248734763 549493102 /nfs/dbraw/zinc/49/31/02/549493102.db2.gz KKHOSXYXWAJQQX-ZRNYENFQSA-N 1 0 369.465 2.322 20 30 FEEDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NS(=O)(=O)c1ccccc1C#N ZINC000248794348 549503683 /nfs/dbraw/zinc/50/36/83/549503683.db2.gz JCGOZZXGFBFPEN-CRAIPNDOSA-N 1 0 355.463 2.357 20 30 FEEDRO Cc1ncc(S(=O)(=O)N[C@H](C)[C@H](c2ccccc2)[NH+](C)C)cc1C#N ZINC000489614822 561415585 /nfs/dbraw/zinc/41/55/85/561415585.db2.gz WUVKMCOQVREJDY-RDTXWAMCSA-N 1 0 358.467 2.231 20 30 FEEDRO C[NH+](C)CC1CCC(NC(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)CC1 ZINC000489758514 561418382 /nfs/dbraw/zinc/41/83/82/561418382.db2.gz WARUPVBCVFLXDX-VJFUWPCTSA-N 1 0 371.485 2.236 20 30 FEEDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)C1 ZINC000489763963 561418507 /nfs/dbraw/zinc/41/85/07/561418507.db2.gz VTNMRYINMIVPSE-PMACEKPBSA-N 1 0 369.513 2.258 20 30 FEEDRO CC[C@@H](C)[NH2+][C@@H](CNS(=O)(=O)c1cnc(C)c(C#N)c1)c1ccco1 ZINC000489848815 561420553 /nfs/dbraw/zinc/42/05/53/561420553.db2.gz UJHKJVBLACOXPI-WBMJQRKESA-N 1 0 362.455 2.262 20 30 FEEDRO C[NH+]=C(NC[C@H]1CCc2nnc(C)n2C1)N[C@@H](C)Cc1ccc(C)s1 ZINC000261836180 549760429 /nfs/dbraw/zinc/76/04/29/549760429.db2.gz WBLKVRMOTYIBJH-SWLSCSKDSA-N 1 0 360.531 2.315 20 30 FEEDRO CCC(=O)N1CC[C@@H](NC(NCc2cc(Br)cs2)=[NH+]C)C1 ZINC000261968789 549775379 /nfs/dbraw/zinc/77/53/79/549775379.db2.gz MDNBFYBATDNRFA-LLVKDONJSA-N 1 0 373.320 2.187 20 30 FEEDRO [NH2+]=C(NC[C@H]1CCCS(=O)(=O)C1)Nc1ccc(OC(F)(F)F)cc1 ZINC000262255229 549802925 /nfs/dbraw/zinc/80/29/25/549802925.db2.gz DWKCIDGPHLGALF-SNVBAGLBSA-N 1 0 365.377 2.137 20 30 FEEDRO [NH2+]=C(NCC(=O)N1CCN(c2ccccc2)CC1)Nc1cc(F)ccc1F ZINC000262260727 549803105 /nfs/dbraw/zinc/80/31/05/549803105.db2.gz GEEZVEOIVDQKEI-UHFFFAOYSA-N 1 0 373.407 2.040 20 30 FEEDRO [NH2+]=C(NCc1cnc(N2CCOCC2)c(F)c1)Nc1cc(F)ccc1F ZINC000262285851 549806293 /nfs/dbraw/zinc/80/62/93/549806293.db2.gz MIJHQJLSSMWUTL-UHFFFAOYSA-N 1 0 365.359 2.262 20 30 FEEDRO C[C@H](NC(NCC(=O)N(C)C)=[NH+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C)c1ccccc1 ZINC000262348669 549812959 /nfs/dbraw/zinc/81/29/59/549812959.db2.gz YLDBRMGVZOOCAD-IAAVTCLWSA-N 1 0 372.513 2.185 20 30 FEEDRO C[NH+]=C(NC[C@@H](c1cccs1)N(C)C)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000262437146 549819378 /nfs/dbraw/zinc/81/93/78/549819378.db2.gz GOZVRCWPNNFGBD-ZBFHGGJFSA-N 1 0 360.531 2.149 20 30 FEEDRO O=S1(=O)CC[C@@H](CNC(NCc2ccoc2)=[NH+]C2CCCCC2)C1 ZINC000262429759 549819576 /nfs/dbraw/zinc/81/95/76/549819576.db2.gz SFZZNADMSLVVBY-HNNXBMFYSA-N 1 0 353.488 2.082 20 30 FEEDRO CC[NH+]=C(NC[C@]1(O)CCSC1)N1CC[C@@H](c2ccc(OC)cc2)C1 ZINC000262440597 549819922 /nfs/dbraw/zinc/81/99/22/549819922.db2.gz UNYLYZWKPSURAO-VQIMIIECSA-N 1 0 363.527 2.318 20 30 FEEDRO CC[NH+]=C(NC[C@@H]1CCc2nnc(C)n2C1)N[C@@H]1CCc2ccccc2C1 ZINC000262511371 549825093 /nfs/dbraw/zinc/82/50/93/549825093.db2.gz OZQFGXNXJWIUCW-QFBILLFUSA-N 1 0 366.513 2.262 20 30 FEEDRO Cc1ccc(NC(=[NH2+])NC[C@H]2CCCC[C@@H]2NS(C)(=O)=O)cc1C ZINC000262675936 549837554 /nfs/dbraw/zinc/83/75/54/549837554.db2.gz UABMIMAHFLANLR-ZBFHGGJFSA-N 1 0 352.504 2.138 20 30 FEEDRO C[NH+]=C(NCc1cnc(C)s1)N[C@H]1CCN(c2cccc(OC)c2)C1 ZINC000262754747 549846289 /nfs/dbraw/zinc/84/62/89/549846289.db2.gz HHPVBSISVRMRCH-AWEZNQCLSA-N 1 0 359.499 2.404 20 30 FEEDRO C[NH+]=C(NC[C@@H]1CCc2nnc(C)n2C1)NCC1(c2cccc(F)c2)CC1 ZINC000262769515 549847844 /nfs/dbraw/zinc/84/78/44/549847844.db2.gz ILIZQRUGJOVFJC-HNNXBMFYSA-N 1 0 370.476 2.185 20 30 FEEDRO C[NH+]=C(NCc1cn2c(n1)CCCC2)N[C@H]1CCN(c2ccccc2)C1 ZINC000262783771 549849092 /nfs/dbraw/zinc/84/90/92/549849092.db2.gz MJYLVVYGJWBTGY-INIZCTEOSA-N 1 0 352.486 2.163 20 30 FEEDRO Cc1noc([C@@H]2CC[C@H](CNC(=[NH2+])N[C@H]3CCOc4ccccc43)O2)n1 ZINC000262791261 549850641 /nfs/dbraw/zinc/85/06/41/549850641.db2.gz ODJPQTSFGDIZDZ-INWMFGNUSA-N 1 0 357.414 2.026 20 30 FEEDRO CC[NH+]=C(NCc1ccc(N2CCOCC2)nc1)N1CCc2ccccc21 ZINC000263236086 549888094 /nfs/dbraw/zinc/88/80/94/549888094.db2.gz JQVOLAPJIXGUCK-UHFFFAOYSA-N 1 0 365.481 2.446 20 30 FEEDRO N#Cc1ccc(CN2CCCN(C(=O)COc3cccnc3)CC2)cc1 ZINC000263743186 549929519 /nfs/dbraw/zinc/92/95/19/549929519.db2.gz ALCVHGITIQYBHQ-UHFFFAOYSA-N 1 0 350.422 2.067 20 30 FEEDRO C[C@H]1C[NH+](CC2CCN(C(=O)COc3ccccc3C#N)CC2)C[C@H](C)O1 ZINC000263833555 549943444 /nfs/dbraw/zinc/94/34/44/549943444.db2.gz TUIULCQJUNGHFT-IRXDYDNUSA-N 1 0 371.481 2.285 20 30 FEEDRO COc1ccc(CNC(=[NH2+])NCc2ccc(C(=O)N(C)C)cc2)cc1OC ZINC000264063432 549974406 /nfs/dbraw/zinc/97/44/06/549974406.db2.gz DGRYXOGLCFDLRV-UHFFFAOYSA-N 1 0 370.453 2.010 20 30 FEEDRO COc1ccc(CNC(=[NH2+])NCc2cn3ccc(C)cc3n2)cc1OC ZINC000264073669 549975578 /nfs/dbraw/zinc/97/55/78/549975578.db2.gz DYPKPZBLARKEAS-UHFFFAOYSA-N 1 0 353.426 2.264 20 30 FEEDRO CCCCCCNC(=[NH2+])NCc1ccc(C(=O)N2CCN(C)CC2)cc1 ZINC000264083305 549977176 /nfs/dbraw/zinc/97/71/76/549977176.db2.gz JBVPNWFBXSDCJX-UHFFFAOYSA-N 1 0 359.518 2.059 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N2CCN(C(=O)Nc3cccc(C)c3)CC2)CC1 ZINC000264105762 549979649 /nfs/dbraw/zinc/97/96/49/549979649.db2.gz IGPWOHNKQZQAIX-UHFFFAOYSA-N 1 0 368.481 2.016 20 30 FEEDRO COc1ccc(CCNC(=[NH2+])NCCn2cnc3ccccc32)cc1OC ZINC000264121461 549981338 /nfs/dbraw/zinc/98/13/38/549981338.db2.gz RHCHWRBBRAHJQE-UHFFFAOYSA-N 1 0 367.453 2.201 20 30 FEEDRO COc1ccc(CCNC(=[NH2+])NCc2cccc(OC)c2OC)cc1OC ZINC000264148286 549984918 /nfs/dbraw/zinc/98/49/18/549984918.db2.gz YKWYOJPAFGKPOH-UHFFFAOYSA-N 1 0 373.453 2.368 20 30 FEEDRO C=CCc1cc(C(=O)N(CCOC)CC[NH+](C)C)cc(OC)c1OC ZINC000264224709 549993279 /nfs/dbraw/zinc/99/32/79/549993279.db2.gz WTNZLSZXDOGNGD-UHFFFAOYSA-N 1 0 350.459 2.083 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)NCCc2ccn(-c3ccccc3)n2)CC1 ZINC000264365464 549994470 /nfs/dbraw/zinc/99/44/70/549994470.db2.gz PPNFGJYSGASZOG-UHFFFAOYSA-N 1 0 353.470 2.364 20 30 FEEDRO N#CC1(C(=O)NCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)CCCC1 ZINC000264440092 549995951 /nfs/dbraw/zinc/99/59/51/549995951.db2.gz AGBKMOAZWIVZRP-SFHVURJKSA-N 1 0 368.481 2.084 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@H]2CSCN2C(=O)c2ccccc2)CC1 ZINC000264526862 549997440 /nfs/dbraw/zinc/99/74/40/549997440.db2.gz YPTJTZWAKNIMND-GOSISDBHSA-N 1 0 373.522 2.358 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)NCCNC(=O)c2ccc(C)cc2)CC1 ZINC000264906128 550003417 /nfs/dbraw/zinc/00/34/17/550003417.db2.gz YFHOLEOSCZLCDL-UHFFFAOYSA-N 1 0 358.486 2.065 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000265523567 550010585 /nfs/dbraw/zinc/01/05/85/550010585.db2.gz CZLAVEZNMSRTBO-UHFFFAOYSA-N 1 0 352.822 2.485 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)Nc2cc(CN3CCOCC3)ccc2C)CC1 ZINC000265656211 550013280 /nfs/dbraw/zinc/01/32/80/550013280.db2.gz YSHRCMHCWSOCFZ-UHFFFAOYSA-N 1 0 355.482 2.111 20 30 FEEDRO CC(C)(C)CN(CCC#N)C(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000266165992 550017978 /nfs/dbraw/zinc/01/79/78/550017978.db2.gz YCONEYNZPHGLBW-UHFFFAOYSA-N 1 0 357.502 2.382 20 30 FEEDRO C#CCOc1cccc(NC(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)c1 ZINC000266471551 550021111 /nfs/dbraw/zinc/02/11/11/550021111.db2.gz VASDHTYTBQGFNQ-UHFFFAOYSA-N 1 0 358.486 2.188 20 30 FEEDRO COCCOC[C@H]1CC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000266622401 550022073 /nfs/dbraw/zinc/02/20/73/550022073.db2.gz LNXQVVOYTNERDN-ROUUACIJSA-N 1 0 359.470 2.307 20 30 FEEDRO Cc1ccccc1CNC(=O)CON=C(N)c1ccc(C[NH+](C)C)cc1 ZINC000266999936 550026435 /nfs/dbraw/zinc/02/64/35/550026435.db2.gz GOPGMVIDOHNPOJ-UHFFFAOYSA-N 1 0 354.454 2.010 20 30 FEEDRO C[C@H](C1CC1)N(C(=O)CON=C(N)c1ccc(C[NH+](C)C)cc1)C1CC1 ZINC000267132661 550027727 /nfs/dbraw/zinc/02/77/27/550027727.db2.gz FBCCLFFFBDWPQQ-CQSZACIVSA-N 1 0 358.486 2.175 20 30 FEEDRO C=CCOc1ccccc1CNC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000267396466 550030497 /nfs/dbraw/zinc/03/04/97/550030497.db2.gz XXAWCRNAWRULED-KRWDZBQOSA-N 1 0 359.470 2.115 20 30 FEEDRO CCOC(=O)N1CCC(NC(=[NH2+])NCc2ccc(OCC)c(F)c2)CC1 ZINC000267459901 550031493 /nfs/dbraw/zinc/03/14/93/550031493.db2.gz URGWGGKJSJDGOC-UHFFFAOYSA-N 1 0 366.437 2.250 20 30 FEEDRO COc1ccc(CCNC(=[NH2+])NC[C@](C)(O)c2ccccc2)cc1OC ZINC000267450428 550031562 /nfs/dbraw/zinc/03/15/62/550031562.db2.gz RGADJGSYRIWEBH-FQEVSTJZSA-N 1 0 357.454 2.058 20 30 FEEDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)Nc1ccccc1SCCC#N ZINC000268235067 550037955 /nfs/dbraw/zinc/03/79/55/550037955.db2.gz ZGCYQTURXJMCPL-XJKSGUPXSA-N 1 0 372.494 2.230 20 30 FEEDRO C=CCN1C(=S)N=NC1c1sc(NC(=O)[C@@H](CC)[NH+](C)C)nc1C ZINC000268758235 550112821 /nfs/dbraw/zinc/11/28/21/550112821.db2.gz ZDZLTUDTRRXZMQ-SNVBAGLBSA-N 1 0 366.516 2.463 20 30 FEEDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)Nc2ccc(C#N)cc2Cl)C1 ZINC000269060991 550150235 /nfs/dbraw/zinc/15/02/35/550150235.db2.gz BGSQMNXBXOHNNZ-CQSZACIVSA-N 1 0 362.861 2.387 20 30 FEEDRO N#CCOc1cccc(NC(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c1 ZINC000269231474 550169909 /nfs/dbraw/zinc/16/99/09/550169909.db2.gz XXOUYERVJMZSAB-MSOLQXFVSA-N 1 0 358.442 2.088 20 30 FEEDRO N#CCOc1cccc(NC(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c1 ZINC000269231479 550170067 /nfs/dbraw/zinc/17/00/67/550170067.db2.gz XXOUYERVJMZSAB-ROUUACIJSA-N 1 0 358.442 2.088 20 30 FEEDRO C=CCOc1ccc(C[N@@H+]2CCC[C@@H](CNS(C)(=O)=O)C2)cc1OC ZINC000269472257 550199622 /nfs/dbraw/zinc/19/96/22/550199622.db2.gz LGWJACUUDJJIEK-INIZCTEOSA-N 1 0 368.499 2.021 20 30 FEEDRO N#Cc1ccc(NC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(F)c1 ZINC000269611847 550210682 /nfs/dbraw/zinc/21/06/82/550210682.db2.gz YQOLJEHFMZWQPD-KDOFPFPSSA-N 1 0 370.428 2.111 20 30 FEEDRO CC(C)[C@H](CNC(=O)NC1(c2cccc(C#N)c2)CC1)N1CCOCC1 ZINC000269620881 550211381 /nfs/dbraw/zinc/21/13/81/550211381.db2.gz CTDRINSPBXCKHI-SFHVURJKSA-N 1 0 356.470 2.203 20 30 FEEDRO C=C(C)[C@H](CC(=O)NCc1ccc(CN2CC[NH+](C)CC2)cc1)OCC ZINC000270049555 550245719 /nfs/dbraw/zinc/24/57/19/550245719.db2.gz QWGZLRDGKFBCJP-FQEVSTJZSA-N 1 0 359.514 2.422 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCCC[C@H]2CC(=O)NCC)CC1 ZINC000493784821 561458271 /nfs/dbraw/zinc/45/82/71/561458271.db2.gz IGJJOECYPULAIS-KRWDZBQOSA-N 1 0 350.507 2.117 20 30 FEEDRO N#Cc1ccc(CC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)cc1 ZINC000270572734 550284777 /nfs/dbraw/zinc/28/47/77/550284777.db2.gz BUPDJVMQBKEWNS-NHCUHLMSSA-N 1 0 363.461 2.100 20 30 FEEDRO C[C@H](NC(=O)NCc1ccnc(OCC[NH+](C)C)c1)c1ccc(C#N)cc1 ZINC000270578634 550285802 /nfs/dbraw/zinc/28/58/02/550285802.db2.gz PHYUNKDHYWKKKF-HNNXBMFYSA-N 1 0 367.453 2.454 20 30 FEEDRO Cc1cc(NC(=O)c2cccc(CN3CC[NH+](C)CC3)c2)nn1CCC#N ZINC000271103774 550340989 /nfs/dbraw/zinc/34/09/89/550340989.db2.gz ZCAOGFRALGQVKN-UHFFFAOYSA-N 1 0 366.469 2.105 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)NC[C@@H](CO)c2ccccc2Cl)CC1 ZINC000494120494 561462909 /nfs/dbraw/zinc/46/29/09/561462909.db2.gz RJPCWENGQAAXRZ-AWEZNQCLSA-N 1 0 351.878 2.366 20 30 FEEDRO COc1ccc(COCCNC(=[NH2+])NCc2ccc(OC)c(OC)c2)cc1 ZINC000271325732 550364939 /nfs/dbraw/zinc/36/49/39/550364939.db2.gz QBVWDPJLCHJZPA-UHFFFAOYSA-N 1 0 373.453 2.334 20 30 FEEDRO C[C@@H](CCO)[N@H+](CC(=O)NCc1ccc(C#N)cc1)Cc1ccccc1 ZINC000271382481 550370748 /nfs/dbraw/zinc/37/07/48/550370748.db2.gz ILCSFFOATBPWCQ-KRWDZBQOSA-N 1 0 351.450 2.448 20 30 FEEDRO C[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CCNC(=O)C1N=CC=CC1=O ZINC000271536737 550383697 /nfs/dbraw/zinc/38/36/97/550383697.db2.gz XVEGPOCGDFYMBS-WLOXRLQYSA-N 1 0 368.481 2.013 20 30 FEEDRO CC(C)N(C)C(=O)C1CCN(C(=O)C[NH2+][C@H](C)c2ccc(C#N)cc2)CC1 ZINC000271688442 550395031 /nfs/dbraw/zinc/39/50/31/550395031.db2.gz QVOHJHZITVACRP-MRXNPFEDSA-N 1 0 370.497 2.314 20 30 FEEDRO COc1ccc([C@H](C)[NH2+]CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)cc1 ZINC000271728779 550398142 /nfs/dbraw/zinc/39/81/42/550398142.db2.gz YFLVFUDQZQAJBD-LPHOPBHVSA-N 1 0 358.486 2.038 20 30 FEEDRO COC(=O)N1CCC([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CC1 ZINC000271818889 550403818 /nfs/dbraw/zinc/40/38/18/550403818.db2.gz BYFSWYPEGODLAZ-UHFFFAOYSA-N 1 0 356.470 2.343 20 30 FEEDRO CCC[C@H]1CN(C(=O)Nc2cc(C)n(CCC#N)n2)CC[N@@H+]1CCOC ZINC000272041137 550418615 /nfs/dbraw/zinc/41/86/15/550418615.db2.gz FVOJSCYNYFZRAD-INIZCTEOSA-N 1 0 362.478 2.070 20 30 FEEDRO Cc1nn(C)c2ncc(C[NH2+][C@H]3CCCN(c4ccc(C#N)cc4)C3=O)cc12 ZINC000272636931 550462181 /nfs/dbraw/zinc/46/21/81/550462181.db2.gz YNBPRYLNSWBBPF-IBGZPJMESA-N 1 0 374.448 2.434 20 30 FEEDRO C=CCS(=O)(=O)CC[NH2+]CC1=Cc2cc(Br)ccc2OC1 ZINC000272868187 550474425 /nfs/dbraw/zinc/47/44/25/550474425.db2.gz RZXLYVFXSPKQNQ-UHFFFAOYSA-N 1 0 372.284 2.415 20 30 FEEDRO C=CCS(=O)(=O)CC[NH2+][C@@H](C)c1ccc(NC(=O)NC(C)C)cc1 ZINC000272877103 550474900 /nfs/dbraw/zinc/47/49/00/550474900.db2.gz PWOCOUDYJZONRW-AWEZNQCLSA-N 1 0 353.488 2.468 20 30 FEEDRO C=CCS(=O)(=O)CC[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000272878404 550474917 /nfs/dbraw/zinc/47/49/17/550474917.db2.gz QDHGKCDCWXVDBF-HOCLYGCPSA-N 1 0 352.456 2.496 20 30 FEEDRO N#Cc1ccc(/C=C/C(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000273135082 550486788 /nfs/dbraw/zinc/48/67/88/550486788.db2.gz SGTXPCUSWMAWDP-LCCNJJIFSA-N 1 0 361.445 2.454 20 30 FEEDRO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[NH2+][C@@H](C)c1cnn(C)c1 ZINC000273439754 550498492 /nfs/dbraw/zinc/49/84/92/550498492.db2.gz ZFYONFQHUVLREY-LSDHHAIUSA-N 1 0 355.442 2.415 20 30 FEEDRO CS[C@@H]1CN([C@@H](C)C(=O)Nc2ccccc2C#N)C[C@@H]1[NH+]1CCCC1 ZINC000274012238 550519695 /nfs/dbraw/zinc/51/96/95/550519695.db2.gz KZGYSKMJYHXUER-JCGIZDLHSA-N 1 0 358.511 2.397 20 30 FEEDRO COC(=O)c1ccc(NC(=O)N(CCC#N)CCC[NH+](C)C)c(OC)c1 ZINC000275496981 550572468 /nfs/dbraw/zinc/57/24/68/550572468.db2.gz RMDXBSYDBGGSDK-UHFFFAOYSA-N 1 0 362.430 2.181 20 30 FEEDRO C#Cc1cccc(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000275587514 550573225 /nfs/dbraw/zinc/57/32/25/550573225.db2.gz DBBYOHOKTNBTFF-FQEVSTJZSA-N 1 0 361.445 2.339 20 30 FEEDRO CCCN(CC[NH+](CC)CC)C(=O)C(=O)Nc1cccc(OCC#N)c1 ZINC000275876429 550575010 /nfs/dbraw/zinc/57/50/10/550575010.db2.gz DDDDXYCIBAAXNZ-UHFFFAOYSA-N 1 0 360.458 2.108 20 30 FEEDRO C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC000275895671 550575124 /nfs/dbraw/zinc/57/51/24/550575124.db2.gz QFNXLVFHIMNLJX-GJZGRUSLSA-N 1 0 372.469 2.105 20 30 FEEDRO CC[C@](C)(O)C[N@H+](CC(=O)N(CCC#N)CCC#N)Cc1ccccc1 ZINC000275900348 550575166 /nfs/dbraw/zinc/57/51/66/550575166.db2.gz RNIWQILIUIILTR-FQEVSTJZSA-N 1 0 356.470 2.306 20 30 FEEDRO CCCN(CC[NH+](CC)CC)C(=O)C(=O)Nc1ccccc1O[C@H](C)C#N ZINC000275990189 550575730 /nfs/dbraw/zinc/57/57/30/550575730.db2.gz QFMDPTNORBVHLB-MRXNPFEDSA-N 1 0 374.485 2.496 20 30 FEEDRO COc1cc(/C=C/C(=O)NC[C@@H]2CCc3nccn3C2)ccc1OCC#N ZINC000276337968 550578311 /nfs/dbraw/zinc/57/83/11/550578311.db2.gz QGKADMPZXMREJU-RRGWEWPQSA-N 1 0 366.421 2.186 20 30 FEEDRO CN1CCO[C@H](CN(CC2CC2)C(=O)c2ccc(C3(C#N)CC3)cc2)C1 ZINC000276516319 550578768 /nfs/dbraw/zinc/57/87/68/550578768.db2.gz QIFQANBIALLIAP-IBGZPJMESA-N 1 0 353.466 2.425 20 30 FEEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH2+][C@H](C)c1cn[nH]c1 ZINC000494690042 561474378 /nfs/dbraw/zinc/47/43/78/561474378.db2.gz YWTYJHIXTYIRFT-CYBMUJFWSA-N 1 0 358.446 2.026 20 30 FEEDRO [NH2+]=C(NC[C@@H](CO)Cc1ccccc1Br)Nc1ccccn1 ZINC000277200620 550642754 /nfs/dbraw/zinc/64/27/54/550642754.db2.gz DQWSLGURTUBPCG-LBPRGKRZSA-N 1 0 363.259 2.422 20 30 FEEDRO C[C@H](C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)N(C)CC(F)(F)F ZINC000277279019 550651354 /nfs/dbraw/zinc/65/13/54/550651354.db2.gz CCGQZQGCIMAHCP-CQSZACIVSA-N 1 0 370.419 2.331 20 30 FEEDRO CC(C)(C)OC(=O)NCC[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000278604679 550803524 /nfs/dbraw/zinc/80/35/24/550803524.db2.gz IEGXPTMPBGPRPE-UHFFFAOYSA-N 1 0 370.457 2.473 20 30 FEEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CC[C@]3(CNC(=O)C3)C2)c1 ZINC000278876929 550831554 /nfs/dbraw/zinc/83/15/54/550831554.db2.gz MQPUARQKIGHWEV-UWJYYQICSA-N 1 0 368.481 2.151 20 30 FEEDRO C#CCn1ccc(CN(CC)C(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)n1 ZINC000279200017 550864080 /nfs/dbraw/zinc/86/40/80/550864080.db2.gz JAVBXYPWWDKQMW-QZTJIDSGSA-N 1 0 359.518 2.416 20 30 FEEDRO N#CCCn1cc(C[NH+]2CCC(C3OCCO3)CC2)c(-c2ccncc2)n1 ZINC000279370668 550882414 /nfs/dbraw/zinc/88/24/14/550882414.db2.gz IVKLAKAIDNGFIH-UHFFFAOYSA-N 1 0 367.453 2.444 20 30 FEEDRO COc1cc(C#N)ccc1OCC[N@H+](C)[C@@H](CC(N)=O)c1ccccc1 ZINC000280648743 551017135 /nfs/dbraw/zinc/01/71/35/551017135.db2.gz YWUURIPONSKNSI-KRWDZBQOSA-N 1 0 353.422 2.494 20 30 FEEDRO CCOCCCNC(NCc1ccc(OC)cc1)=[NH+]CCCCCO ZINC000280692054 551022093 /nfs/dbraw/zinc/02/20/93/551022093.db2.gz RGCBOUVGGNYENJ-UHFFFAOYSA-N 1 0 351.491 2.320 20 30 FEEDRO C=CCN1CC[C@H]([N@H+](C)C[C@H](O)COc2cc(C)ccc2Cl)C1=O ZINC000281310678 551083423 /nfs/dbraw/zinc/08/34/23/551083423.db2.gz KPCPNNOWFCROHD-HOCLYGCPSA-N 1 0 352.862 2.107 20 30 FEEDRO CCN(C)C(=O)c1cccc(NC(=O)N(CCC#N)CCC[NH+](C)C)c1 ZINC000496723982 561495448 /nfs/dbraw/zinc/49/54/48/561495448.db2.gz PRVVSZHVJFBHSF-UHFFFAOYSA-N 1 0 359.474 2.478 20 30 FEEDRO N#Cc1ccc(NC(=O)CC[NH2+][C@@]2(CO)CCOc3ccccc32)cc1 ZINC000281642030 551124277 /nfs/dbraw/zinc/12/42/77/551124277.db2.gz IYVDNQFPHKOTMR-HXUWFJFHSA-N 1 0 351.406 2.147 20 30 FEEDRO COc1cc(C[NH+]2CCC(CNC(=O)C(F)(F)F)CC2)ccc1C#N ZINC000282156079 551188056 /nfs/dbraw/zinc/18/80/56/551188056.db2.gz DAQUTZPQWPORIX-UHFFFAOYSA-N 1 0 355.360 2.457 20 30 FEEDRO CC(=O)NCCN(CC(=O)NC1(C#N)CCCCC1)Cc1ccsc1 ZINC000282359980 551217085 /nfs/dbraw/zinc/21/70/85/551217085.db2.gz BHHUCCRLVJMHPG-UHFFFAOYSA-N 1 0 362.499 2.029 20 30 FEEDRO COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@H](C)N2CCOc2ccc(C#N)cc2OC)O1 ZINC000282398035 551222958 /nfs/dbraw/zinc/22/29/58/551222958.db2.gz HKJPBIFGVBVXRO-PSLQGDIJSA-N 1 0 374.437 2.129 20 30 FEEDRO C=CCn1c(-c2cccn2C)nnc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC000282404094 551223943 /nfs/dbraw/zinc/22/39/43/551223943.db2.gz WTQKIMCPQQURHY-UHFFFAOYSA-N 1 0 370.501 2.018 20 30 FEEDRO C#Cc1cc(F)c(NC(=O)C(=O)N(CC)CCC[NH+]2CCCC2)c(F)c1 ZINC000283205627 551329110 /nfs/dbraw/zinc/32/91/10/551329110.db2.gz HZTPVXCFLPEAMO-UHFFFAOYSA-N 1 0 363.408 2.219 20 30 FEEDRO C=CCCCNC(=O)C(=O)NC[C@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC000283241799 551335040 /nfs/dbraw/zinc/33/50/40/551335040.db2.gz CUXVVBUYQRMEGW-GOSISDBHSA-N 1 0 359.470 2.031 20 30 FEEDRO C#Cc1cc(F)c(NC(=O)C(=O)N(C)C2CC[NH+](CCC)CC2)c(F)c1 ZINC000283254670 551337055 /nfs/dbraw/zinc/33/70/55/551337055.db2.gz LUPSFQYCUSGWTE-UHFFFAOYSA-N 1 0 363.408 2.217 20 30 FEEDRO C#Cc1cc(F)c(NC(=O)C(=O)NCCC2CC[NH+](CC)CC2)c(F)c1 ZINC000283392333 551359093 /nfs/dbraw/zinc/35/90/93/551359093.db2.gz VWEMOMRYXUVQPM-UHFFFAOYSA-N 1 0 363.408 2.123 20 30 FEEDRO C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000283478696 551373523 /nfs/dbraw/zinc/37/35/23/551373523.db2.gz BWJWTTOHGCNIMB-QGZVFWFLSA-N 1 0 374.533 2.258 20 30 FEEDRO C[C@H](NC(=O)C(=O)N1CCC([NH+]2CCCCC2)CC1)c1ccc(C#N)cc1 ZINC000283901056 551446597 /nfs/dbraw/zinc/44/65/97/551446597.db2.gz HZASBNMVKWOIKU-INIZCTEOSA-N 1 0 368.481 2.212 20 30 FEEDRO CC(C)(C)[C@@H](O)C[C@@H](CO)[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000284343596 551528223 /nfs/dbraw/zinc/52/82/23/551528223.db2.gz MYOWPXBHSMWAOX-PMACEKPBSA-N 1 0 359.514 2.270 20 30 FEEDRO CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[NH+](C2CCC2)CC1 ZINC000284455122 551552644 /nfs/dbraw/zinc/55/26/44/551552644.db2.gz RJILDFBDBXAHBQ-UHFFFAOYSA-N 1 0 366.469 2.423 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)NCc2ccc(C(F)(F)F)cc2)CC1 ZINC000284480594 551558708 /nfs/dbraw/zinc/55/87/08/551558708.db2.gz XEHXIUJOIUGGQH-UHFFFAOYSA-N 1 0 369.387 2.088 20 30 FEEDRO CCCNC(=S)C(C(=O)c1cnn(C)n1)[n+]1ccc(C(C)(C)C)cc1 ZINC000284497326 551562955 /nfs/dbraw/zinc/56/29/55/551562955.db2.gz SQFTWRFJWCGAAS-UHFFFAOYSA-O 1 0 360.507 2.339 20 30 FEEDRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000498368747 561523599 /nfs/dbraw/zinc/52/35/99/561523599.db2.gz CGSHSJLQLFZXFN-QZTJIDSGSA-N 1 0 351.454 2.468 20 30 FEEDRO CCCc1cc[n+](C(C(=O)c2cnn(C)n2)C(=S)NC(C)(C)C)cc1 ZINC000284626251 551593452 /nfs/dbraw/zinc/59/34/52/551593452.db2.gz ZXHTVQCLOAEWKR-UHFFFAOYSA-O 1 0 360.507 2.382 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H](c2ccc(C)cc2)C2CC2)CC1 ZINC000284651366 551599293 /nfs/dbraw/zinc/59/92/93/551599293.db2.gz XTLUJGGMVWFUFY-LJQANCHMSA-N 1 0 355.482 2.329 20 30 FEEDRO C#CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCC(=O)N(C)[C@H]2c2ccnn2C)cc1 ZINC000284761662 551626671 /nfs/dbraw/zinc/62/66/71/551626671.db2.gz GWNNWTFCTOGHRB-FQELHTAISA-N 1 0 366.465 2.445 20 30 FEEDRO C=CCC[C@H](NC(=O)C(=O)NCCCC[NH+]1CCOCC1)c1ccccc1 ZINC000284814521 551640742 /nfs/dbraw/zinc/64/07/42/551640742.db2.gz XUAKVEPITTUTMY-IBGZPJMESA-N 1 0 373.497 2.039 20 30 FEEDRO Cn1nccc1[C@H]1[C@H](CNC(=O)Nc2ccc(C#N)cc2)CCC[N@@H+]1C ZINC000284821062 551642632 /nfs/dbraw/zinc/64/26/32/551642632.db2.gz UVPFHPFUWKNZDK-MAUKXSAKSA-N 1 0 352.442 2.496 20 30 FEEDRO CCOc1ccc(O)c(/C=N\C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)c1 ZINC000285290691 551732688 /nfs/dbraw/zinc/73/26/88/551732688.db2.gz IVXRVWLEHASKQJ-PEEGHXIXSA-N 1 0 359.470 2.293 20 30 FEEDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@H](O)COc1ccc(C#N)cc1 ZINC000285361327 551744013 /nfs/dbraw/zinc/74/40/13/551744013.db2.gz QHTZIIMBMQBKSD-KRWDZBQOSA-N 1 0 355.394 2.381 20 30 FEEDRO CN(CCC[N@H+](C)Cc1ccco1)CC(=O)NCc1ccc(C#N)cc1 ZINC000285526453 551770000 /nfs/dbraw/zinc/77/00/00/551770000.db2.gz FDGYOVJVECKYGC-UHFFFAOYSA-N 1 0 354.454 2.221 20 30 FEEDRO C[NH+](C)CCNS(=O)(=O)c1cccc(NCC(C)(C)CCC#N)c1 ZINC000285531223 551770748 /nfs/dbraw/zinc/77/07/48/551770748.db2.gz KXOLJBPBBWNJDR-UHFFFAOYSA-N 1 0 352.504 2.268 20 30 FEEDRO CN(C(=O)C1CCN(c2ccc(C#N)cc2F)CC1)[C@@H]1CCC[N@H+](C)C1 ZINC000285570021 551776153 /nfs/dbraw/zinc/77/61/53/551776153.db2.gz HPXVVSCBMOQKMI-QGZVFWFLSA-N 1 0 358.461 2.466 20 30 FEEDRO O=C(C[NH2+][C@H]1CCC[C@H]1CCO)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000285591834 551779783 /nfs/dbraw/zinc/77/97/83/551779783.db2.gz BMYJNRIPRPEZIB-RDJZCZTQSA-N 1 0 368.399 2.314 20 30 FEEDRO C=CCN(CCc1ccccc1)C(=O)C(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000285722982 551801250 /nfs/dbraw/zinc/80/12/50/551801250.db2.gz DKNAXRTVLXOIPH-HXUWFJFHSA-N 1 0 371.525 2.480 20 30 FEEDRO N#Cc1ccc(N2CC[C@H](C(=O)N[C@H]3CC[N@@H+]4CCCC[C@@H]34)C2)c(F)c1 ZINC000286321528 551873839 /nfs/dbraw/zinc/87/38/39/551873839.db2.gz HNYJPKLATMMRCI-IEZWGBDMSA-N 1 0 356.445 2.267 20 30 FEEDRO COC(=O)[C@]1(C(F)(F)F)CCN([C@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000286350914 551877285 /nfs/dbraw/zinc/87/72/85/551877285.db2.gz FNMJUCBCQTVIQZ-BZNIZROVSA-N 1 0 369.343 2.313 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N(Cc2ccco2)Cc2ccco2)CC1 ZINC000286376020 551880379 /nfs/dbraw/zinc/88/03/79/551880379.db2.gz CRONPLCXUOJWAV-UHFFFAOYSA-N 1 0 371.437 2.168 20 30 FEEDRO C[NH+](C)CCN(Cc1cccc(F)c1)S(=O)(=O)c1ccc(C#N)o1 ZINC000286823860 551929878 /nfs/dbraw/zinc/92/98/78/551929878.db2.gz JAXBGZGTMJCOIS-UHFFFAOYSA-N 1 0 351.403 2.043 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H](C)C[C@H]2c2ccco2)CC1 ZINC000286825000 551930058 /nfs/dbraw/zinc/93/00/58/551930058.db2.gz WSSLQJYFJOBNRO-WBVHZDCISA-N 1 0 359.470 2.346 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCC[C@@H]2Cc2ccccc2)CC1 ZINC000286837695 551931848 /nfs/dbraw/zinc/93/18/48/551931848.db2.gz XVXBESZHYHWTDG-UYAOXDASSA-N 1 0 369.509 2.281 20 30 FEEDRO CC[C@H](C)[N@H+](CCO)CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000287233657 551979553 /nfs/dbraw/zinc/97/95/53/551979553.db2.gz GAZJMFJZIRSEHL-AWEZNQCLSA-N 1 0 356.388 2.266 20 30 FEEDRO CC(C)N(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000287286162 551985317 /nfs/dbraw/zinc/98/53/17/551985317.db2.gz UJRXEXGQVSGZNT-OALUTQOASA-N 1 0 370.497 2.284 20 30 FEEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000287327679 551990085 /nfs/dbraw/zinc/99/00/85/551990085.db2.gz WWGQQQXTPNJDGX-RBUKOAKNSA-N 1 0 370.497 2.286 20 30 FEEDRO C#CC[C@H](Cc1ccccc1)NC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000287595870 552023215 /nfs/dbraw/zinc/02/32/15/552023215.db2.gz YJCVQMFNHBJDJC-TZIWHRDSSA-N 1 0 369.509 2.421 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N2C[C@H](c3ccccc3)[C@H]3COCC[C@H]32)CC1 ZINC000287700471 552035876 /nfs/dbraw/zinc/03/58/76/552035876.db2.gz DZGQXKGOBBCEPO-NJDAHSKKSA-N 1 0 352.478 2.363 20 30 FEEDRO CC(C)N(CC[NH+](C)C)S(=O)(=O)c1cccc(Br)c1C#N ZINC000287800401 552048227 /nfs/dbraw/zinc/04/82/27/552048227.db2.gz LQEOFJUDLRITOG-UHFFFAOYSA-N 1 0 374.304 2.281 20 30 FEEDRO C#CC[C@H](Cc1ccccc1)NC(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000288134328 552097213 /nfs/dbraw/zinc/09/72/13/552097213.db2.gz LAZMPRMPETVTKK-HXUWFJFHSA-N 1 0 370.541 2.288 20 30 FEEDRO CC(C)[C@@H]([NH2+]CCCC1(C#N)CCOCC1)c1nc(-c2nc[nH]n2)no1 ZINC000499627931 561554917 /nfs/dbraw/zinc/55/49/17/561554917.db2.gz WBRFXLXPWGFYON-CYBMUJFWSA-N 1 0 359.434 2.242 20 30 FEEDRO C=CCN1CC[C@@H]([N@H+](C)C[C@H](O)COc2ccc(C(C)(C)C)cc2)C1=O ZINC000499964094 561563099 /nfs/dbraw/zinc/56/30/99/561563099.db2.gz LGKUQTFMTNJUAL-PKOBYXMFSA-N 1 0 360.498 2.443 20 30 FEEDRO COc1ccc(CCNC(=[NH2+])NC[C@H]2COc3ccccc32)cc1OC ZINC000288801504 552215302 /nfs/dbraw/zinc/21/53/02/552215302.db2.gz ZBRMJJLTLDGBQV-HNNXBMFYSA-N 1 0 355.438 2.327 20 30 FEEDRO C[NH+](C)CCN(Cc1ccccc1)S(=O)(=O)Cc1ccc(C#N)cc1 ZINC000288863754 552226615 /nfs/dbraw/zinc/22/66/15/552226615.db2.gz NFZGKSDQOQPNLH-UHFFFAOYSA-N 1 0 357.479 2.452 20 30 FEEDRO C=C(C)CN(CC)C(=O)C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000289051343 552258458 /nfs/dbraw/zinc/25/84/58/552258458.db2.gz BZYVBDKCLNYJGW-IAGOWNOFSA-N 1 0 365.424 2.251 20 30 FEEDRO N#Cc1cc(-c2nc(-c3ccccc3C[N@H+]3CCC[C@H]3C(N)=O)no2)ccn1 ZINC000289114861 552268300 /nfs/dbraw/zinc/26/83/00/552268300.db2.gz QPCCZSKXDBOQDQ-KRWDZBQOSA-N 1 0 374.404 2.120 20 30 FEEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1 ZINC000289209704 552283424 /nfs/dbraw/zinc/28/34/24/552283424.db2.gz BWGUSDAISSNBNJ-INIZCTEOSA-N 1 0 368.481 2.063 20 30 FEEDRO C[NH+](C)CCc1ccc(CNS(=O)(=O)Cc2ccc(C#N)cc2)cc1 ZINC000289287932 552295559 /nfs/dbraw/zinc/29/55/59/552295559.db2.gz XZABMUDRKSFZJP-UHFFFAOYSA-N 1 0 357.479 2.282 20 30 FEEDRO C#CCN(Cc1ccccc1)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000289293772 552296364 /nfs/dbraw/zinc/29/63/64/552296364.db2.gz UVDSDOIGIJCWAK-UXHICEINSA-N 1 0 355.482 2.209 20 30 FEEDRO COc1ccc(C[C@H](CO)C[NH2+]Cc2ccc(C#N)c(OC)c2)cc1O ZINC000289489975 552330205 /nfs/dbraw/zinc/33/02/05/552330205.db2.gz RMGNVBJIRGGJEV-INIZCTEOSA-N 1 0 356.422 2.222 20 30 FEEDRO CCN1CCN(C(=O)Cc2ccc(NC(=O)CC(C)(C)C#N)cc2)CC1 ZINC000500496544 561575086 /nfs/dbraw/zinc/57/50/86/561575086.db2.gz ZVYKDFFWPDTHRX-UHFFFAOYSA-N 1 0 356.470 2.272 20 30 FEEDRO C=CCn1c(C(=O)NC(C)C)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC000289857024 552389752 /nfs/dbraw/zinc/38/97/52/552389752.db2.gz YIYKIPCNYUBPCU-UHFFFAOYSA-N 1 0 360.506 2.057 20 30 FEEDRO CO[C@H]1COC[C@@H]1[NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000290219924 552444330 /nfs/dbraw/zinc/44/43/30/552444330.db2.gz WHKRRQZXLPEXRC-GJZGRUSLSA-N 1 0 363.483 2.221 20 30 FEEDRO C[NH+](C)CCOc1cc(CNC(=O)Nc2ccc(C#N)c(F)c2)ccn1 ZINC000290246926 552447698 /nfs/dbraw/zinc/44/76/98/552447698.db2.gz TUZDOKKMHDTNMG-UHFFFAOYSA-N 1 0 357.389 2.354 20 30 FEEDRO C#Cc1ccccc1CC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000290288104 552454578 /nfs/dbraw/zinc/45/45/78/552454578.db2.gz ASIZVHQHBSUVLA-FGZHOGPDSA-N 1 0 362.473 2.210 20 30 FEEDRO N#Cc1ncccc1N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000290469381 552483967 /nfs/dbraw/zinc/48/39/67/552483967.db2.gz AJCYVPRFDDXIFN-GOSISDBHSA-N 1 0 362.481 2.387 20 30 FEEDRO CC[NH+](CC)C[C@H](C)NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 ZINC000501226472 561592840 /nfs/dbraw/zinc/59/28/40/561592840.db2.gz JUCOQDUJCIJNAD-HNNXBMFYSA-N 1 0 365.499 2.224 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)c2nc(C3CC3)ncc2Br)CC1 ZINC000291904262 552673449 /nfs/dbraw/zinc/67/34/49/552673449.db2.gz ZWXSYSVSBOYQCL-UHFFFAOYSA-N 1 0 365.275 2.497 20 30 FEEDRO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CC[C@H](n3cccn3)C2)c(OC)c1 ZINC000292014065 552684770 /nfs/dbraw/zinc/68/47/70/552684770.db2.gz XXUXJAWFWXBIMH-ZWKOTPCHSA-N 1 0 357.454 2.307 20 30 FEEDRO Cc1cccc(OC[C@H](O)C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)c1 ZINC000292120139 552695731 /nfs/dbraw/zinc/69/57/31/552695731.db2.gz HYMFROAUDQCIIK-IEBWSBKVSA-N 1 0 353.422 2.155 20 30 FEEDRO N#Cc1ccc(O[C@H]2CC[N@@H+](CCC(=O)Nc3ccccc3C#N)C2)nc1 ZINC000292212489 552705279 /nfs/dbraw/zinc/70/52/79/552705279.db2.gz OLZRAKQGEXOOMM-KRWDZBQOSA-N 1 0 361.405 2.307 20 30 FEEDRO C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N(C)C1CC[NH+](CCC)CC1 ZINC000292809611 552760360 /nfs/dbraw/zinc/76/03/60/552760360.db2.gz DEZSPFCZGOYBLR-UHFFFAOYSA-N 1 0 374.533 2.401 20 30 FEEDRO CC(C)[C@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)C1(CO)CCC1 ZINC000293238669 552802131 /nfs/dbraw/zinc/80/21/31/552802131.db2.gz YULKXLNNVISGPO-KRWDZBQOSA-N 1 0 350.484 2.109 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cc(-c2ccncc2)ccc1C ZINC000293529592 552832644 /nfs/dbraw/zinc/83/26/44/552832644.db2.gz ZTTLMAUXEDUMHI-UHFFFAOYSA-N 1 0 364.449 2.067 20 30 FEEDRO CN(CCC[N@H+](C)Cc1ccco1)C(=O)C(=O)Nc1sccc1C#N ZINC000293701813 552848473 /nfs/dbraw/zinc/84/84/73/552848473.db2.gz MDWOJCDUVYXOSU-UHFFFAOYSA-N 1 0 360.439 2.132 20 30 FEEDRO C#CCNC(=O)CC[N@@H+](CCCn1ccnc1)Cc1ccc(OCC)cc1 ZINC000293755682 552853156 /nfs/dbraw/zinc/85/31/56/552853156.db2.gz JKZOGEXLAFDWRP-UHFFFAOYSA-N 1 0 368.481 2.314 20 30 FEEDRO C#CCNC(=O)CC[NH2+][C@@H](C)c1ccc(OCc2ccncc2)c(OC)c1 ZINC000293827941 552860332 /nfs/dbraw/zinc/86/03/32/552860332.db2.gz PMRAOISSFNOQPD-INIZCTEOSA-N 1 0 367.449 2.459 20 30 FEEDRO CCO[C@H](CC[NH+](C)C)CNC(=O)c1cnc(C(F)(F)F)c(C#N)c1 ZINC000294914194 552943832 /nfs/dbraw/zinc/94/38/32/552943832.db2.gz KAUIGNANCGFYGQ-CYBMUJFWSA-N 1 0 358.364 2.059 20 30 FEEDRO C=CC[NH+](CC=C)C[C@@H]1CCCN(C(=O)CNC(=O)OC(C)(C)C)C1 ZINC000294983542 552949266 /nfs/dbraw/zinc/94/92/66/552949266.db2.gz SQOPRVYVTLROPT-INIZCTEOSA-N 1 0 351.491 2.424 20 30 FEEDRO C[C@@H](C(=O)Nc1ccccc1C#N)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC000295065851 552955291 /nfs/dbraw/zinc/95/52/91/552955291.db2.gz ABTMXJJTQHQNQN-YQQAZPJKSA-N 1 0 362.433 2.166 20 30 FEEDRO C[C@H](c1ccncc1)N1CCC(NS(=O)(=O)CC(C)(C)CC#N)CC1 ZINC000295160343 552964779 /nfs/dbraw/zinc/96/47/79/552964779.db2.gz NATYPARHPZOZAS-OAHLLOKOSA-N 1 0 364.515 2.466 20 30 FEEDRO CN(C)C(=O)O[C@H]1CCCN(CC(=O)N(CCC#N)c2ccccc2)C1 ZINC000295532341 553021638 /nfs/dbraw/zinc/02/16/38/553021638.db2.gz JBLSEPBYHPFTAO-KRWDZBQOSA-N 1 0 358.442 2.096 20 30 FEEDRO C#CCN1CCN(c2nnc([C@@H]3CC[C@H](C)O3)n2Cc2cccs2)CC1 ZINC000295884628 553071498 /nfs/dbraw/zinc/07/14/98/553071498.db2.gz FMJWOYGEAICAOS-RDJZCZTQSA-N 1 0 371.510 2.383 20 30 FEEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]C[C@]2(O)CCS(=O)(=O)C2)cc1 ZINC000296233634 553126826 /nfs/dbraw/zinc/12/68/26/553126826.db2.gz CDVVLDJHTCYNCO-XJKSGUPXSA-N 1 0 359.875 2.018 20 30 FEEDRO C[C@H]1CN(C(=O)C(=O)Nc2sc(C(C)(C)C)cc2C#N)C[C@H]1[NH+](C)C ZINC000297274895 553272088 /nfs/dbraw/zinc/27/20/88/553272088.db2.gz GLFGKOFFPABKBJ-WCQYABFASA-N 1 0 362.499 2.264 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)NCCc1coc(-c2ccc(F)cc2)n1 ZINC000297615649 553316183 /nfs/dbraw/zinc/31/61/83/553316183.db2.gz KBNMFQSHHIDCJA-UHFFFAOYSA-N 1 0 358.417 2.278 20 30 FEEDRO C=C(C)CN(Cc1ccccc1)C(=O)C(=O)N1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000298131831 553388305 /nfs/dbraw/zinc/38/83/05/553388305.db2.gz XIRTXGIJWZZIBU-IBGZPJMESA-N 1 0 357.498 2.392 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC(C(=O)N(C)C)CC1)C(C)C ZINC000503410639 561640787 /nfs/dbraw/zinc/64/07/87/561640787.db2.gz XMIPPDLZCYULGF-GOSISDBHSA-N 1 0 364.534 2.195 20 30 FEEDRO COc1cc(C#N)ccc1OCCCC(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000298497145 553432605 /nfs/dbraw/zinc/43/26/05/553432605.db2.gz MMFVHQMEAIRVPP-IRXDYDNUSA-N 1 0 357.454 2.469 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)NCCCNc2ccc(C(F)(F)F)cn2)CC1 ZINC000299052794 553508703 /nfs/dbraw/zinc/50/87/03/553508703.db2.gz PQFWXGUEFWBRGX-UHFFFAOYSA-N 1 0 368.403 2.364 20 30 FEEDRO C[C@H](CNC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1)[NH+](C)C ZINC000299165491 553524061 /nfs/dbraw/zinc/52/40/61/553524061.db2.gz FPBHSLZBALJRRE-CQSZACIVSA-N 1 0 366.421 2.355 20 30 FEEDRO C[NH+]1CCN(c2ncccc2CNC(=O)/C=C/c2ccccc2C#N)CC1 ZINC000299261664 553538582 /nfs/dbraw/zinc/53/85/82/553538582.db2.gz HZAFUHOXQFFJGC-CMDGGOBGSA-N 1 0 361.449 2.035 20 30 FEEDRO CS[C@@H]1CN([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C[C@@H]1[NH+]1CCCC1 ZINC000299377014 553555308 /nfs/dbraw/zinc/55/53/08/553555308.db2.gz QOXYEFHRRAJOTR-CEXWTWQISA-N 1 0 370.522 2.175 20 30 FEEDRO CC[NH+](CC)Cc1ccc(C(=O)N(CCC#N)CCN2CCOCC2)cc1 ZINC000299553484 553580309 /nfs/dbraw/zinc/58/03/09/553580309.db2.gz TXJUSRPWCGNEJC-UHFFFAOYSA-N 1 0 372.513 2.216 20 30 FEEDRO N#Cc1cc(S(N)(=O)=O)ccc1NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000301326244 553642387 /nfs/dbraw/zinc/64/23/87/553642387.db2.gz AWUHTNRJBZJSME-LJQANCHMSA-N 1 0 370.478 2.455 20 30 FEEDRO C[N@H+](CCCNc1ccc(S(N)(=O)=O)cc1C#N)C1CCCCC1 ZINC000301352022 553644448 /nfs/dbraw/zinc/64/44/48/553644448.db2.gz NAXWSYNUQGIRFF-UHFFFAOYSA-N 1 0 350.488 2.272 20 30 FEEDRO C[C@H]1CCCC[N@@H+]1CCCCNc1ccc(S(N)(=O)=O)cc1C#N ZINC000301357866 553645127 /nfs/dbraw/zinc/64/51/27/553645127.db2.gz LAIWQAYTRASIDL-AWEZNQCLSA-N 1 0 350.488 2.272 20 30 FEEDRO C[C@H](CNc1ccc(S(N)(=O)=O)cc1C#N)[N@@H+]1CCc2ccccc2C1 ZINC000301364861 553645480 /nfs/dbraw/zinc/64/54/80/553645480.db2.gz RUCVFQRPQFYQTB-CQSZACIVSA-N 1 0 370.478 2.064 20 30 FEEDRO CC(C)c1nc(N(C)C)nc(N2CCN(c3ccccc3C#N)CC2)n1 ZINC000301952444 553694215 /nfs/dbraw/zinc/69/42/15/553694215.db2.gz CCJLZBMDRHQADL-UHFFFAOYSA-N 1 0 351.458 2.259 20 30 FEEDRO Cc1cc(NC(=O)NC2CC[NH+](Cc3ccccn3)CC2)ncc1C#N ZINC000603116933 553711914 /nfs/dbraw/zinc/71/19/14/553711914.db2.gz ASHKNJOQGGFJMB-UHFFFAOYSA-N 1 0 350.426 2.443 20 30 FEEDRO COC[C@H](C)NC(=[NH2+])NC[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000303904674 553746831 /nfs/dbraw/zinc/74/68/31/553746831.db2.gz YYEHSWUVHSGXJV-STQMWFEESA-N 1 0 369.307 2.215 20 30 FEEDRO C[C@H]1[C@@H](NS(=O)(=O)c2cccc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000310790568 553754388 /nfs/dbraw/zinc/75/43/88/553754388.db2.gz QQIBVINPJMZYRF-KXBFYZLASA-N 1 0 355.463 2.500 20 30 FEEDRO N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC000327624612 553790007 /nfs/dbraw/zinc/79/00/07/553790007.db2.gz OCLYEGPCMKHZPN-GDBMZVCRSA-N 1 0 358.360 2.077 20 30 FEEDRO CC(C)[NH+]1CCC(N2CCN(CC(=O)Nc3nccs3)CC2)CC1 ZINC000328604361 553795247 /nfs/dbraw/zinc/79/52/47/553795247.db2.gz INVXSUIRIJVMOH-UHFFFAOYSA-N 1 0 351.520 2.222 20 30 FEEDRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)[C@@H]1CCN(c2ccc3c(c2)OCCO3)C1=O ZINC000328660343 553803626 /nfs/dbraw/zinc/80/36/26/553803626.db2.gz VFMOJBCONLAQFA-CJNGLKHVSA-N 1 0 371.437 2.004 20 30 FEEDRO O=C(N[C@H]1CCOC2(CCC2)C1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000328685296 553807123 /nfs/dbraw/zinc/80/71/23/553807123.db2.gz FNZICYHNCDFXTA-SJORKVTESA-N 1 0 351.491 2.046 20 30 FEEDRO C=C(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000328709907 553810587 /nfs/dbraw/zinc/81/05/87/553810587.db2.gz BNBTYKBYGAKUTN-SFHVURJKSA-N 1 0 369.517 2.390 20 30 FEEDRO CC[N@@H+]1C[C@H](C)N(C(=O)C2CCN(c3oc(C)nc3C#N)CC2)C[C@H]1C ZINC000328720168 553812318 /nfs/dbraw/zinc/81/23/18/553812318.db2.gz GPQUDURWFJTFBY-KGLIPLIRSA-N 1 0 359.474 2.012 20 30 FEEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)N2CCN(C3CC3)C(=O)C2)C1 ZINC000328723708 553812505 /nfs/dbraw/zinc/81/25/05/553812505.db2.gz SJSCRSIXVWHTOH-NVXWUHKLSA-N 1 0 356.470 2.043 20 30 FEEDRO C[NH+]1CCN(Cc2ccc(CNC(=O)c3cn4c(n3)CCCC4)cc2)CC1 ZINC000328734151 553814182 /nfs/dbraw/zinc/81/41/82/553814182.db2.gz YKOZGYYRXSOMAU-UHFFFAOYSA-N 1 0 367.497 2.472 20 30 FEEDRO C[C@@H](CNC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)C[NH+]1CCCCC1 ZINC000505793597 561680994 /nfs/dbraw/zinc/68/09/94/561680994.db2.gz VSOVHSNCVDMPSF-KXBFYZLASA-N 1 0 351.491 2.486 20 30 FEEDRO O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)N[C@@H]1CCC(=O)NC12CCC2 ZINC000328760903 553818033 /nfs/dbraw/zinc/81/80/33/553818033.db2.gz XWEKGDHIMSOWMQ-GDBMZVCRSA-N 1 0 364.490 2.033 20 30 FEEDRO CCS(=O)(=O)N1CCC(NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000328772848 553820141 /nfs/dbraw/zinc/82/01/41/553820141.db2.gz BIYHYCGHZMZUQH-MRXNPFEDSA-N 1 0 357.520 2.164 20 30 FEEDRO Cc1cc(=O)c(C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)cn1C1CC1 ZINC000328780904 553821259 /nfs/dbraw/zinc/82/12/59/553821259.db2.gz MRDOZEJBLOAGIT-OAHLLOKOSA-N 1 0 359.470 2.297 20 30 FEEDRO CC(=O)N1CCCC[C@H]1C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000328783599 553821760 /nfs/dbraw/zinc/82/17/60/553821760.db2.gz GMNMRHCTDZPIFZ-FQEVSTJZSA-N 1 0 372.513 2.162 20 30 FEEDRO O=C(NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)[C@H]1CCc2c[nH]nc2C1 ZINC000328814979 553826554 /nfs/dbraw/zinc/82/65/54/553826554.db2.gz CGTWQYDQSGPGTK-SZMVWBNQSA-N 1 0 354.454 2.107 20 30 FEEDRO O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)N1CC[C@@H](C2CCOCC2)C1 ZINC000328836197 553830067 /nfs/dbraw/zinc/83/00/67/553830067.db2.gz MPFUBNKIJODALJ-FUHWJXTLSA-N 1 0 365.518 2.150 20 30 FEEDRO Cn1nc(CC(=O)NC2CC[NH+](CC3CC3)CC2)c2ccccc2c1=O ZINC000328873537 553836809 /nfs/dbraw/zinc/83/68/09/553836809.db2.gz FGPNDUJBSAZRHN-UHFFFAOYSA-N 1 0 354.454 2.307 20 30 FEEDRO Cc1c(C(=O)NC2CC[NH+](C(C)(C)C)CC2)cnn1-c1ccc(=O)[nH]n1 ZINC000328937969 553849017 /nfs/dbraw/zinc/84/90/17/553849017.db2.gz GODNNRQLSPJALA-UHFFFAOYSA-N 1 0 358.446 2.244 20 30 FEEDRO C[C@]1(O)CCOC[C@@H]1[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccc2c(c1)OCO2 ZINC000328978062 553857332 /nfs/dbraw/zinc/85/73/32/553857332.db2.gz QQWJUZWWWLLRKD-VCBZYWHSSA-N 1 0 362.426 2.255 20 30 FEEDRO CC[NH+]1CCC(NC(=O)CN2CCO[C@H](c3nc(C)cs3)C2)CC1 ZINC000328978973 553857938 /nfs/dbraw/zinc/85/79/38/553857938.db2.gz CRLUFDRRGBTPKC-HNNXBMFYSA-N 1 0 352.504 2.266 20 30 FEEDRO C[C@@H]1C[C@H](NC(=O)[C@@H]2[C@@H](C)OCC(=O)N2Cc2ccccc2)CC[N@@H+]1C ZINC000328992359 553860449 /nfs/dbraw/zinc/86/04/49/553860449.db2.gz DMFXRKWTHDJCGE-LFEHRJTNSA-N 1 0 359.470 2.242 20 30 FEEDRO Cc1nnnn1-c1cccc(NC(=O)N2CCCC23CC[NH+](C)CC3)c1 ZINC000329045023 553870744 /nfs/dbraw/zinc/87/07/44/553870744.db2.gz FMFFQKGIHGUREK-UHFFFAOYSA-N 1 0 355.446 2.076 20 30 FEEDRO CCn1ccnc1[C@H]1OCC[C@@H]1NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000329077132 553876027 /nfs/dbraw/zinc/87/60/27/553876027.db2.gz PYLVNNMJMOGHIF-QHEDDYRISA-N 1 0 361.490 2.252 20 30 FEEDRO CO[C@@H]1CCC[C@@H]1[C@H]1COCCN1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000329097929 553880019 /nfs/dbraw/zinc/88/00/19/553880019.db2.gz YQQJGWWIWQUAKS-HHNIUTBGSA-N 1 0 365.518 2.432 20 30 FEEDRO C[C@@H](CNC(=O)N1CCN(C(=O)C2CCCCC2)CC1)[N@H+](C)C1CC1 ZINC000329126718 553885392 /nfs/dbraw/zinc/88/53/92/553885392.db2.gz UKFLNGCRDAFJTK-HNNXBMFYSA-N 1 0 350.507 2.108 20 30 FEEDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCN(Cc3ccccc3)C2=O)C1 ZINC000329134104 553886243 /nfs/dbraw/zinc/88/62/43/553886243.db2.gz ZKELYJSKAUFLRG-RTBURBONSA-N 1 0 372.513 2.412 20 30 FEEDRO Cc1nn(C)c(C)c1[C@@H]1COCCN1C(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000329144295 553888613 /nfs/dbraw/zinc/88/86/13/553888613.db2.gz MVQBJYPSMXBKAZ-PBHICJAKSA-N 1 0 363.506 2.056 20 30 FEEDRO CC(C)[NH+]1CCC(NC(=O)N[C@H]2CC(=O)N(C3CCCCC3)C2)CC1 ZINC000329152904 553890113 /nfs/dbraw/zinc/89/01/13/553890113.db2.gz UAXOYOMNQXIBGV-INIZCTEOSA-N 1 0 350.507 2.296 20 30 FEEDRO CN(CC1CC[NH+](C)CC1)C(=O)N[C@@H]1CC(=O)N(C2CCCCC2)C1 ZINC000329167312 553893890 /nfs/dbraw/zinc/89/38/90/553893890.db2.gz IJJNMQDGUHRIOK-MRXNPFEDSA-N 1 0 350.507 2.108 20 30 FEEDRO CN1CC[C@H]([NH+]2CCC(NC(=O)c3scnc3C(C)(C)C)CC2)C1=O ZINC000329169426 553894334 /nfs/dbraw/zinc/89/43/34/553894334.db2.gz JOUGWPNMFGWIDR-ZDUSSCGKSA-N 1 0 364.515 2.440 20 30 FEEDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC(=O)N(C)[C@H]1c1cnn(C)c1 ZINC000329175582 553895643 /nfs/dbraw/zinc/89/56/43/553895643.db2.gz BOKIISOWRUBZIJ-JZXOWHBKSA-N 1 0 361.490 2.161 20 30 FEEDRO CN1CC[C@@H]([NH+]2CCC(NC(=O)COc3ccc(Cl)cc3)CC2)C1=O ZINC000329194474 553900001 /nfs/dbraw/zinc/90/00/01/553900001.db2.gz SYBRWHGPFZHEIQ-MRXNPFEDSA-N 1 0 365.861 2.370 20 30 FEEDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3ccc(F)c(C#N)c3)cn2)CC1 ZINC000506342366 561696026 /nfs/dbraw/zinc/69/60/26/561696026.db2.gz NZGLTNFKNILWOM-UHFFFAOYSA-N 1 0 367.428 2.164 20 30 FEEDRO COCCC1(C(=O)NC2CC[NH+]([C@H]3CCN(C)C3=O)CC2)CCCC1 ZINC000329210373 553903375 /nfs/dbraw/zinc/90/33/75/553903375.db2.gz ZLDUUCQORDXPGI-INIZCTEOSA-N 1 0 351.491 2.235 20 30 FEEDRO C[C@@H]1CCC[C@@H](NC(=O)CN2CCN(CC(=O)N3CCCCC3)CC2)C1 ZINC000329215791 553904233 /nfs/dbraw/zinc/90/42/33/553904233.db2.gz NIFIIMJMUNSCAB-QZTJIDSGSA-N 1 0 364.534 2.152 20 30 FEEDRO CCO[C@@H]1C[C@H](NC(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)[C@]12CCCO2 ZINC000329240649 553908887 /nfs/dbraw/zinc/90/88/87/553908887.db2.gz RCMAIGAMEMGFFT-HTBDUDNFSA-N 1 0 351.491 2.186 20 30 FEEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)NC[C@H]2CC(=O)N(C3CC3)C2)C1 ZINC000329264236 553913744 /nfs/dbraw/zinc/91/37/44/553913744.db2.gz BUCPQHYLVAKFDD-NUJGCVRESA-N 1 0 370.497 2.336 20 30 FEEDRO CS(=O)(=O)C1(CNC(=O)N2CCC([NH+]3CCCCC3)CC2)CCCC1 ZINC000329278709 553916566 /nfs/dbraw/zinc/91/65/66/553916566.db2.gz DBQZHFYOROURPB-UHFFFAOYSA-N 1 0 371.547 2.208 20 30 FEEDRO CCOC1CC(N(C)C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)C1 ZINC000329283031 553917153 /nfs/dbraw/zinc/91/71/53/553917153.db2.gz NEVZHCJJHOJYTC-OPQOLIRYSA-N 1 0 353.507 2.168 20 30 FEEDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)N1CCC[C@@H]1[C@@H]1CCCO1 ZINC000329295484 553919603 /nfs/dbraw/zinc/91/96/03/553919603.db2.gz SJDHPNNDBMRYKC-YRXWBPOGSA-N 1 0 365.518 2.312 20 30 FEEDRO C[C@H](CNC(=O)[C@@H]1CCCN1C(=O)C1CCCC1)C[NH+]1CCN(C)CC1 ZINC000329297563 553920477 /nfs/dbraw/zinc/92/04/77/553920477.db2.gz PCQSQQFXIPZNBX-AEFFLSMTSA-N 1 0 364.534 2.008 20 30 FEEDRO N#Cc1ccc(N2CCC[C@H](NC(=O)N[C@@H]3CC[N@@H+](C4CC4)C3)C2)c(F)c1 ZINC000329307649 553922808 /nfs/dbraw/zinc/92/28/08/553922808.db2.gz PTOYSHXUCVRZAK-JKSUJKDBSA-N 1 0 371.460 2.406 20 30 FEEDRO COC1CCC(CNC(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000329315996 553923900 /nfs/dbraw/zinc/92/39/00/553923900.db2.gz BEHXCUCBAQRXOE-AWRGBYNESA-N 1 0 367.534 2.463 20 30 FEEDRO C[C@H](NC(=O)N(C)[C@@H]1CCN(c2ccccc2)C1=O)C1=CC[N@H+](C)CC1 ZINC000329331183 553926399 /nfs/dbraw/zinc/92/63/99/553926399.db2.gz ZJLXVUKEYDKYDQ-MAUKXSAKSA-N 1 0 356.470 2.288 20 30 FEEDRO C[NH+]1CCC(C)(CNC(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC1 ZINC000329343627 553929029 /nfs/dbraw/zinc/92/90/29/553929029.db2.gz QEGRGDADNXNFAN-UHFFFAOYSA-N 1 0 366.550 2.257 20 30 FEEDRO O=C(NCCC1(O)CCOCC1)N1CC[NH+](CC2CCCCC2)CC1 ZINC000329349490 553930199 /nfs/dbraw/zinc/93/01/99/553930199.db2.gz SRNWBOZWSIPWPW-UHFFFAOYSA-N 1 0 353.507 2.030 20 30 FEEDRO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N2CCC(F)(C#N)CC2)cc1 ZINC000506564212 561702228 /nfs/dbraw/zinc/70/22/28/561702228.db2.gz RFZDKQCRUDVRJE-UHFFFAOYSA-N 1 0 360.433 2.321 20 30 FEEDRO CC(C)c1noc(-c2ccccc2C(=O)NC[C@H]2C[N@H+](C)CCN2C)n1 ZINC000329364327 553932953 /nfs/dbraw/zinc/93/29/53/553932953.db2.gz JNHHRAMZHDQTGR-AWEZNQCLSA-N 1 0 357.458 2.410 20 30 FEEDRO CN1CC[N@H+](C)C[C@H]1CNC(=O)Cn1c2ccccc2nc1C(F)(F)F ZINC000329380101 553934962 /nfs/dbraw/zinc/93/49/62/553934962.db2.gz PRUFJYWHGXAUEH-GFCCVEGCSA-N 1 0 369.391 2.257 20 30 FEEDRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CCCC[C@@H]2c2ccnn2C)C1 ZINC000329514759 553960584 /nfs/dbraw/zinc/96/05/84/553960584.db2.gz YGAGEUKAWJTVQK-SJLPKXTDSA-N 1 0 363.506 2.218 20 30 FEEDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CCC(=O)N[C@@H]2[C@@H]2CCCO2)C1 ZINC000329538726 553964065 /nfs/dbraw/zinc/96/40/65/553964065.db2.gz CDLCYNDYEFGGAH-DFGXFYAUSA-N 1 0 366.506 2.231 20 30 FEEDRO CN(CC1(O)CCC1)C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000329542929 553965062 /nfs/dbraw/zinc/96/50/62/553965062.db2.gz YAKPTHYHGGLBHK-UHFFFAOYSA-N 1 0 355.548 2.499 20 30 FEEDRO CC(C)CNC(=O)N1CCC[C@H](C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)C1 ZINC000329569213 553968518 /nfs/dbraw/zinc/96/85/18/553968518.db2.gz LVZFJDHBTZEWIW-ZWKOTPCHSA-N 1 0 364.534 2.355 20 30 FEEDRO CS[C@@H]1CN(CC(=O)N(C)C2(C#N)CCCCC2)C[C@H]1[NH+]1CCCC1 ZINC000329617180 553977100 /nfs/dbraw/zinc/97/71/00/553977100.db2.gz QBISQLOKYYXHKF-IAGOWNOFSA-N 1 0 364.559 2.183 20 30 FEEDRO CC(C)N1CC[C@H](NC(=O)N[C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)C1=O ZINC000329715327 553994219 /nfs/dbraw/zinc/99/42/19/553994219.db2.gz UVPALZVWISRQHI-NJAFHUGGSA-N 1 0 358.486 2.335 20 30 FEEDRO CS[C@H]1CN(C(=O)c2cc(C)n(-c3cccc(C#N)c3)n2)C[C@H]1[NH+](C)C ZINC000507087639 561717144 /nfs/dbraw/zinc/71/71/44/561717144.db2.gz PPLCSKPBGPQKCG-MSOLQXFVSA-N 1 0 369.494 2.170 20 30 FEEDRO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@@H]1CC(=O)N(c2ccccc2F)C1 ZINC000329772941 554003610 /nfs/dbraw/zinc/00/36/10/554003610.db2.gz LBLGDQICKGIGNV-RBSFLKMASA-N 1 0 360.433 2.014 20 30 FEEDRO Cc1nnc([C@H](C)NC(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)s1 ZINC000329784597 554005471 /nfs/dbraw/zinc/00/54/71/554005471.db2.gz PJPOZTNEZMICBZ-NILFDRSVSA-N 1 0 367.519 2.179 20 30 FEEDRO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 ZINC000329795539 554007477 /nfs/dbraw/zinc/00/74/77/554007477.db2.gz DAYUANUEIVIUJN-GASCZTMLSA-N 1 0 372.469 2.428 20 30 FEEDRO CC[C@@H](CNC(=O)N1CCCN(CC)C(=O)C1)[N@@H+]1CCc2ccccc2C1 ZINC000329829288 554014377 /nfs/dbraw/zinc/01/43/77/554014377.db2.gz DPQPLEJOLSWYFL-IBGZPJMESA-N 1 0 372.513 2.292 20 30 FEEDRO C[C@H](NC(=O)CN1CC2(CCC2)[C@@H]1[C@H]1CCCO1)C(=O)N1CCCCC1 ZINC000329848727 554018219 /nfs/dbraw/zinc/01/82/19/554018219.db2.gz PTBRTCKIQGAKGQ-JZXOWHBKSA-N 1 0 363.502 2.377 20 30 FEEDRO CC[NH+]1CCC(NC(=O)CN2CCO[C@@H](c3nnc(C(C)C)o3)C2)CC1 ZINC000329893436 554025818 /nfs/dbraw/zinc/02/58/18/554025818.db2.gz AQIREDDUQSYIFD-OAHLLOKOSA-N 1 0 365.478 2.007 20 30 FEEDRO CN1CCO[C@H](C(=O)NCC2([N@@H+]3CCOC(C)(C)C3)CCCCC2)C1 ZINC000329914205 554030061 /nfs/dbraw/zinc/03/00/61/554030061.db2.gz XTJDQFJSJQZINU-INIZCTEOSA-N 1 0 353.507 2.087 20 30 FEEDRO CCO[C@@H]1C[C@@](O)(CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1(C)C ZINC000329948581 554037183 /nfs/dbraw/zinc/03/71/83/554037183.db2.gz ZFBUXWWLQTWHEJ-MHGNSNQHSA-N 1 0 353.507 2.071 20 30 FEEDRO O=C(NC[C@@H]1CCc2nccn2C1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 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371.481 2.288 20 30 FEEDRO C[C@H](C(=O)NC1CC1)N1CCN(C(=O)[C@H]2CCCN2c2ccccc2)CC1 ZINC000330210182 554085620 /nfs/dbraw/zinc/08/56/20/554085620.db2.gz IDWPKJYOEXQZOR-VQIMIIECSA-N 1 0 370.497 2.307 20 30 FEEDRO CCO[C@@H]1C[C@H](N(C)C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)C1(C)C ZINC000330213969 554086699 /nfs/dbraw/zinc/08/66/99/554086699.db2.gz FTPYEYJQVZZWDH-ZJPYXAASSA-N 1 0 367.534 2.414 20 30 FEEDRO CN(C[C@@H]1CCCCO1)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000330217745 554087711 /nfs/dbraw/zinc/08/77/11/554087711.db2.gz IUSMYLNHHBTSNI-RCCFBDPRSA-N 1 0 353.507 2.169 20 30 FEEDRO CC[NH+]1CCC(NC(=O)N2CCC(OC[C@H]3CCCCO3)CC2)CC1 ZINC000330223531 554088120 /nfs/dbraw/zinc/08/81/20/554088120.db2.gz AGULEHDSRRPKFQ-GOSISDBHSA-N 1 0 353.507 2.435 20 30 FEEDRO C[C@@H](CNC(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C)c1nccs1 ZINC000330228961 554089457 /nfs/dbraw/zinc/08/94/57/554089457.db2.gz PXJDLAAOLUDYGL-KBPBESRZSA-N 1 0 352.504 2.346 20 30 FEEDRO CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 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COCCn1nc(C)c(NC(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)c1C ZINC000330829527 554176734 /nfs/dbraw/zinc/17/67/34/554176734.db2.gz GNYRXNCTBJEOHR-CQSZACIVSA-N 1 0 351.495 2.354 20 30 FEEDRO COCC[N@@H+]1CC[C@H](NC(=O)NCc2ccc(Br)s2)C1 ZINC000330844036 554178362 /nfs/dbraw/zinc/17/83/62/554178362.db2.gz OEKSEYPQBGXOBO-JTQLQIEISA-N 1 0 362.293 2.235 20 30 FEEDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)Cc1ccc(F)cc1C#N ZINC000330913672 554187586 /nfs/dbraw/zinc/18/75/86/554187586.db2.gz RRRSAARUGJIXMX-QLFBSQMISA-N 1 0 367.490 2.483 20 30 FEEDRO CNC(=O)c1cccc(NC(=O)NCCN2CC[N@H+](C)C(C)(C)C2)c1C ZINC000331261602 554238162 /nfs/dbraw/zinc/23/81/62/554238162.db2.gz CEEYTZGNBOMQMH-UHFFFAOYSA-N 1 0 361.490 2.281 20 30 FEEDRO CC(C)N(C)c1ccccc1CNC(=O)N1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000331336768 554248463 /nfs/dbraw/zinc/24/84/63/554248463.db2.gz YVMMOBSHJZPULM-IRXDYDNUSA-N 1 0 362.518 2.332 20 30 FEEDRO CS[C@@H]1CN([C@@H](C)C(=O)Nc2cccc(C#N)c2)C[C@@H]1[NH+]1CCCC1 ZINC000331526100 554280342 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363.889 2.407 20 30 FEEDRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)N=c2[nH]n(C)cc2C#N)CC1 ZINC000610973463 554589833 /nfs/dbraw/zinc/58/98/33/554589833.db2.gz BVDWXGMOBSGYDC-ZDUSSCGKSA-N 1 0 353.430 2.034 20 30 FEEDRO N#Cc1ccc(CNC(=O)N2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)cc1F ZINC000333746327 554638673 /nfs/dbraw/zinc/63/86/73/554638673.db2.gz JLMYJOCIWURAAY-ROUUACIJSA-N 1 0 360.433 2.125 20 30 FEEDRO N#Cc1ccc(N2CCN(C(=O)N[C@@H]3CCCC[NH2+]C3)CC2)c(Cl)c1 ZINC000333849440 554649355 /nfs/dbraw/zinc/64/93/55/554649355.db2.gz PSQQUMHPAYNSQP-OAHLLOKOSA-N 1 0 361.877 2.185 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1NC(=O)N1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000334078396 554675621 /nfs/dbraw/zinc/67/56/21/554675621.db2.gz KOQGAPPHDBQADK-RWQQGDIJSA-N 1 0 365.518 2.251 20 30 FEEDRO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)Cc1ccc(OCC(F)(F)F)cc1 ZINC000511120215 561858061 /nfs/dbraw/zinc/85/80/61/561858061.db2.gz BYOOXVFONBTNSI-GFCCVEGCSA-N 1 0 373.375 2.460 20 30 FEEDRO Cc1cc(N2CC[C@H]([N+]34CCN(CC3)CC4)C2=O)ccc1Br ZINC000359879843 554855825 /nfs/dbraw/zinc/85/58/25/554855825.db2.gz ZHQLTQPFCXOBHZ-INIZCTEOSA-N 1 0 365.295 2.009 20 30 FEEDRO COc1ccccc1CC(=O)N1CCC[N@H+](CCCSCC#N)CC1 ZINC000360505807 554877543 /nfs/dbraw/zinc/87/75/43/554877543.db2.gz ZZAAXSUOTCWQIX-UHFFFAOYSA-N 1 0 361.511 2.419 20 30 FEEDRO Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N1CCC([NH+](C)C)CC1 ZINC000613164292 554894864 /nfs/dbraw/zinc/89/48/64/554894864.db2.gz YQTYSDJOEDJYHO-UHFFFAOYSA-N 1 0 353.430 2.005 20 30 FEEDRO N#CCCN(C(=O)CN1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1)c1ccccc1 ZINC000360925873 554895300 /nfs/dbraw/zinc/89/53/00/554895300.db2.gz HQHKOEAWDBZGNQ-RLLQIKCJSA-N 1 0 352.482 2.349 20 30 FEEDRO C[C@@H]1C[N@@H+](CCCNC(=O)[C@]2(C#N)CCc3ccccc3C2)C[C@H](C)O1 ZINC000362020218 554945089 /nfs/dbraw/zinc/94/50/89/554945089.db2.gz GVRHLDADCLXSKD-LLGFUMIMSA-N 1 0 355.482 2.301 20 30 FEEDRO N#Cc1ccsc1NC(=O)CC[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H](CO)C1 ZINC000511624341 561875095 /nfs/dbraw/zinc/87/50/95/561875095.db2.gz CEBXSLYLQBHBEV-VXGBXAGGSA-N 1 0 361.389 2.441 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)NC[C@]2(O)CCCc3ccc(OC)cc32)CC1 ZINC000362388669 554968372 /nfs/dbraw/zinc/96/83/72/554968372.db2.gz HCSIHPDYWUPMIN-OAQYLSRUSA-N 1 0 373.497 2.169 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC[C@H]1C(=O)NC1CC1)C(C)C ZINC000362473554 554974520 /nfs/dbraw/zinc/97/45/20/554974520.db2.gz NNOGFJQRXWZUDD-ZWKOTPCHSA-N 1 0 362.518 2.138 20 30 FEEDRO N#Cc1ccc(-c2nnc(CN3CCC[C@H]3C[N@H+]3CCC[C@H]3CO)o2)cc1 ZINC000362814564 554990402 /nfs/dbraw/zinc/99/04/02/554990402.db2.gz OFXHGBDXJJTHNU-ROUUACIJSA-N 1 0 367.453 2.029 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2cccc(-n3cncn3)c2)CC1 ZINC000362944714 555001496 /nfs/dbraw/zinc/00/14/96/555001496.db2.gz HZRXCGNSDZBYLO-UHFFFAOYSA-N 1 0 354.458 2.107 20 30 FEEDRO C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)CC(=O)NCc1cccc(C#N)c1 ZINC000362997889 555006985 /nfs/dbraw/zinc/00/69/85/555006985.db2.gz PIHIIXKDVFYIBV-INIZCTEOSA-N 1 0 374.448 2.448 20 30 FEEDRO COc1cc(/C=C/C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)ccc1OCC#N ZINC000363007283 555008854 /nfs/dbraw/zinc/00/88/54/555008854.db2.gz FXJOKFLKEZHBPP-FKQXODTLSA-N 1 0 355.438 2.354 20 30 FEEDRO C=CCN(CC(=O)NCc1cccnc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000363184554 555047956 /nfs/dbraw/zinc/04/79/56/555047956.db2.gz ATMMFNLMYSRARM-OAQYLSRUSA-N 1 0 364.493 2.460 20 30 FEEDRO CO/N=C/c1ccc(C(=O)N2CCC(CC[NH+]3CCN(C)CC3)CC2)cc1 ZINC000363344340 555081986 /nfs/dbraw/zinc/08/19/86/555081986.db2.gz BZZSPMFAQIIXIS-OQKWZONESA-N 1 0 372.513 2.157 20 30 FEEDRO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)CCc2ccc(C#N)cc2)CC1 ZINC000363368978 555087492 /nfs/dbraw/zinc/08/74/92/555087492.db2.gz DBVMPCXKKFMQBX-FQEVSTJZSA-N 1 0 354.498 2.119 20 30 FEEDRO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1NC(=O)CCc1ccc(C#N)cc1 ZINC000363424116 555102403 /nfs/dbraw/zinc/10/24/03/555102403.db2.gz OSVXWEXWXJLWKZ-LSTHTHJFSA-N 1 0 355.482 2.496 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1cnc2c(cnn2C)c1O)C(C)C ZINC000512109278 561892640 /nfs/dbraw/zinc/89/26/40/561892640.db2.gz IVNDSOLDKUWRKF-INIZCTEOSA-N 1 0 357.458 2.102 20 30 FEEDRO N#Cc1ccc(-n2ccc(NC(=O)NCCCC[NH+]3CCCC3)n2)c(F)c1 ZINC000363710653 555169264 /nfs/dbraw/zinc/16/92/64/555169264.db2.gz MFKWZTGRXFVVRM-UHFFFAOYSA-N 1 0 370.432 2.881 20 30 FEEDRO Cn1cc(C#N)cc1C(=O)Nc1cccc2c1CC[N@H+](CC(C)(C)O)C2 ZINC000363725001 555172350 /nfs/dbraw/zinc/17/23/50/555172350.db2.gz PANLRTIGBJRPKK-UHFFFAOYSA-N 1 0 352.438 2.278 20 30 FEEDRO C=CCOc1ccc(C[N@H+]2CC[C@@H](n3cc(C(=O)OC)nn3)C2)cc1OC ZINC000363904690 555210741 /nfs/dbraw/zinc/21/07/41/555210741.db2.gz AIWCFYSLZWNRMX-OAHLLOKOSA-N 1 0 372.425 2.085 20 30 FEEDRO CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)c3c(F)cc(C#N)cc3F)C2)CC1 ZINC000363921904 555214421 /nfs/dbraw/zinc/21/44/21/555214421.db2.gz PGLOANURLILGRO-OAHLLOKOSA-N 1 0 362.424 2.077 20 30 FEEDRO C=CCN(CC=C)C(=O)CN(C)C1CC[NH+](CCc2ccncc2)CC1 ZINC000364033323 555237086 /nfs/dbraw/zinc/23/70/86/555237086.db2.gz LNQNJZCJTAUOKQ-UHFFFAOYSA-N 1 0 356.514 2.221 20 30 FEEDRO CN1CCN(C2CCN(c3ccc(C(F)(F)F)c(C#N)c3)CC2)C(=O)C1 ZINC000364060546 555242547 /nfs/dbraw/zinc/24/25/47/555242547.db2.gz AWZDZNONFLOSRL-UHFFFAOYSA-N 1 0 366.387 2.320 20 30 FEEDRO C=CCN(C(=O)N[C@@H]1CCC(=O)N(C)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000364277351 555283114 /nfs/dbraw/zinc/28/31/14/555283114.db2.gz AQXPTIYVBGYRPH-RTBURBONSA-N 1 0 370.497 2.079 20 30 FEEDRO COCc1nccc([C@@H]2CCC[N@H+](C[C@H](O)c3ccc(C#N)cc3)C2)n1 ZINC000364406237 555307388 /nfs/dbraw/zinc/30/73/88/555307388.db2.gz RTZCAFNFMUGKPA-MJGOQNOKSA-N 1 0 352.438 2.408 20 30 FEEDRO CCC[NH+]1CCC(N2CCN(C(=O)c3cccc(F)c3C#N)CC2)CC1 ZINC000364495002 555324098 /nfs/dbraw/zinc/32/40/98/555324098.db2.gz ZNZIQYDLFXEVGP-UHFFFAOYSA-N 1 0 358.461 2.330 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H]2C[C@@H](C(=O)OC)c3ccccc32)CC1 ZINC000364649937 555362962 /nfs/dbraw/zinc/36/29/62/555362962.db2.gz TVWWAIZNZCSAFI-QZTJIDSGSA-N 1 0 357.454 2.338 20 30 FEEDRO Cc1c(C#N)cccc1C(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000512665014 561911711 /nfs/dbraw/zinc/91/17/11/561911711.db2.gz IVUBPOZSZWQTOO-IAGOWNOFSA-N 1 0 354.498 2.497 20 30 FEEDRO C=CCN(CC=C)C(=O)C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000512745852 561914018 /nfs/dbraw/zinc/91/40/18/561914018.db2.gz XBDAJIPYKHBOPL-DOTOQJQBSA-N 1 0 361.511 2.448 20 30 FEEDRO N#CCN(CC#N)C(=O)[C@H]1CCCN(Cc2coc(-c3ccccc3)n2)C1 ZINC000365105037 555486513 /nfs/dbraw/zinc/48/65/13/555486513.db2.gz MGMCATJRPQCWLQ-KRWDZBQOSA-N 1 0 363.421 2.429 20 30 FEEDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)Cc2c(F)cccc2C#N)[C@@H](C)C1 ZINC000512951862 561920716 /nfs/dbraw/zinc/92/07/16/561920716.db2.gz XJGZHFDLEXPJFW-KXBFYZLASA-N 1 0 361.461 2.493 20 30 FEEDRO C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1NC(=O)NCc1cccc(C#N)c1 ZINC000365336493 555546614 /nfs/dbraw/zinc/54/66/14/555546614.db2.gz MXYVGVVWHDININ-LZQZEXGQSA-N 1 0 356.470 2.247 20 30 FEEDRO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1CCC2(CCN(C)C2=O)CC1 ZINC000365485808 555588526 /nfs/dbraw/zinc/58/85/26/555588526.db2.gz SBPBIGGWZRWNJX-BATSVXPKSA-N 1 0 374.529 2.250 20 30 FEEDRO N#Cc1cc(NC(=O)C(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@H]3C2)ccc1Cl ZINC000365543264 555604829 /nfs/dbraw/zinc/60/48/29/555604829.db2.gz BNMNGHXMYPZUSO-JLJPHGGASA-N 1 0 372.856 2.093 20 30 FEEDRO C[C@@H]([NH2+][C@@H]1CCN(CCN2CCOCC2)C1)c1ccc(C#N)cc1Cl ZINC000366013880 555727181 /nfs/dbraw/zinc/72/71/81/555727181.db2.gz YNCDNSXYRWUETR-NVXWUHKLSA-N 1 0 362.905 2.269 20 30 FEEDRO N#Cc1ccc(N2CCC[C@H]([N@@H+]3[C@H](C(N)=O)C[C@@H]4CCCC[C@@H]43)C2=O)cc1 ZINC000366090818 555748791 /nfs/dbraw/zinc/74/87/91/555748791.db2.gz ZBGMEGCSUNKIBD-WNHJNPCNSA-N 1 0 366.465 2.172 20 30 FEEDRO C[C@@H](NC(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1)C(C)(C)C[NH+](C)C ZINC000366164181 555769444 /nfs/dbraw/zinc/76/94/44/555769444.db2.gz WJFUFFKKRWVIRI-ZBFHGGJFSA-N 1 0 359.474 2.092 20 30 FEEDRO N#CCC1(CNC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000366607623 555888960 /nfs/dbraw/zinc/88/89/60/555888960.db2.gz KIHSSFCJORLDQI-GOSISDBHSA-N 1 0 356.470 2.271 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CC(C)(C)O[C@]3(CCCOC3)C2)CC1 ZINC000366732517 555920944 /nfs/dbraw/zinc/92/09/44/555920944.db2.gz XAIRFEKTBHWNHN-HXUWFJFHSA-N 1 0 365.518 2.397 20 30 FEEDRO Cc1nc(C#N)c(N2CCC(C(=O)NC3CC([NH+]4CCCCC4)C3)CC2)o1 ZINC000366853204 555951774 /nfs/dbraw/zinc/95/17/74/555951774.db2.gz BGDAZBPHBKAIIM-UHFFFAOYSA-N 1 0 371.485 2.204 20 30 FEEDRO CN(CCC[NH+]1CCCC1)C(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000366865284 555954597 /nfs/dbraw/zinc/95/45/97/555954597.db2.gz BYKURCGLKNRVDI-UHFFFAOYSA-N 1 0 353.430 2.089 20 30 FEEDRO N#CCCC[C@H]([NH3+])C(=O)NCCOc1ncc(C(F)(F)F)cc1Cl ZINC000514598791 561968915 /nfs/dbraw/zinc/96/89/15/561968915.db2.gz ABGXJQMXIQNLRL-NSHDSACASA-N 1 0 364.755 2.270 20 30 FEEDRO CC[NH+](CC)[C@H](CNS(=O)(=O)c1cncc(C#N)c1)Cc1ccccc1 ZINC000514636058 561970941 /nfs/dbraw/zinc/97/09/41/561970941.db2.gz KSOONQAZXJDPSH-SFHVURJKSA-N 1 0 372.494 2.185 20 30 FEEDRO C=CCS(=O)(=O)CC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1C ZINC000367071421 556000835 /nfs/dbraw/zinc/00/08/35/556000835.db2.gz BKGXBMVTPADACI-GJZGRUSLSA-N 1 0 360.520 2.212 20 30 FEEDRO COCCN(CC[NH+](C)C)C(=O)c1cnn(CCC#N)c1-c1ccccc1 ZINC000514675207 561973440 /nfs/dbraw/zinc/97/34/40/561973440.db2.gz KPNKXRRKQPAPIR-UHFFFAOYSA-N 1 0 369.469 2.114 20 30 FEEDRO CC(C)(CN1CCn2ccnc2C1)C(=O)NC1(c2cccc(C#N)c2)CC1 ZINC000367723632 556123501 /nfs/dbraw/zinc/12/35/01/556123501.db2.gz TYUICBDFXXMATB-UHFFFAOYSA-N 1 0 363.465 2.402 20 30 FEEDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCN(c4ccc(C#N)cc4F)C3)C[C@@H]21 ZINC000367843987 556152786 /nfs/dbraw/zinc/15/27/86/556152786.db2.gz RLQDHHXZUOPAMX-MDZRGWNJSA-N 1 0 356.445 2.076 20 30 FEEDRO C=CCNc1ncc(C(=O)NCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)s1 ZINC000622143598 556231138 /nfs/dbraw/zinc/23/11/38/556231138.db2.gz BRVQBTFPDINMOH-INIZCTEOSA-N 1 0 372.494 2.238 20 30 FEEDRO CN1CC[C@@H]([NH2+]CC(=O)NCc2cccc(C#N)c2)[C@H]1c1ccc(F)cc1 ZINC000368230980 556254503 /nfs/dbraw/zinc/25/45/03/556254503.db2.gz HJVTXXNNWLUYKF-TZIWHRDSSA-N 1 0 366.440 2.349 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(-c3ccccn3)cc2)CC1 ZINC000515228659 562001782 /nfs/dbraw/zinc/00/17/82/562001782.db2.gz VCPKIGZQCNKHQJ-UHFFFAOYSA-N 1 0 364.449 2.454 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CCCc2nc[nH]c21 ZINC000368455902 556314764 /nfs/dbraw/zinc/31/47/64/556314764.db2.gz VGYQHNWPJWWCRD-KRWDZBQOSA-N 1 0 351.454 2.292 20 30 FEEDRO C=CCOc1ccc(CNC(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)cc1 ZINC000368618055 556364454 /nfs/dbraw/zinc/36/44/54/556364454.db2.gz ISBQBQMEHKIKDA-SFHVURJKSA-N 1 0 372.513 2.219 20 30 FEEDRO N#Cc1ccc(O[C@H]2CCN(CC(=O)NCc3cc(F)cc(F)c3)C2)nc1 ZINC000368639060 556370689 /nfs/dbraw/zinc/37/06/89/556370689.db2.gz RTDBEJIEIJJNRV-KRWDZBQOSA-N 1 0 372.375 2.001 20 30 FEEDRO CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCC(C(=O)N(C)c2ccccc2)CC1 ZINC000368822566 556422894 /nfs/dbraw/zinc/42/28/94/556422894.db2.gz LXDJPHLWRPEVAT-QGZVFWFLSA-N 1 0 370.497 2.370 20 30 FEEDRO CN1CC[NH+](CCC2CCN(C(=O)/C=C/c3ccccc3C#N)CC2)CC1 ZINC000368842217 556427307 /nfs/dbraw/zinc/42/73/07/556427307.db2.gz ABVWFRNSMSGQRI-VOTSOKGWSA-N 1 0 366.509 2.448 20 30 FEEDRO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1N1CCOCC1)C(=O)Nc1cccc(C#N)c1 ZINC000368949968 556457064 /nfs/dbraw/zinc/45/70/64/556457064.db2.gz KVIOUKZVWGQHKL-IPELMVKDSA-N 1 0 356.470 2.118 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCCN(C(=O)C(C)(C)C)CC2)CC1 ZINC000369040130 556485979 /nfs/dbraw/zinc/48/59/79/556485979.db2.gz BTOMKZVRYQCAMO-UHFFFAOYSA-N 1 0 364.534 2.317 20 30 FEEDRO C[C@H](CNC(=O)N1CCCN(c2ccc(C#N)cc2)CC1)[N@H+](C)C1CC1 ZINC000369049985 556489248 /nfs/dbraw/zinc/48/92/48/556489248.db2.gz AUTNZXFTLXUMRP-MRXNPFEDSA-N 1 0 355.486 2.263 20 30 FEEDRO COC[C@@H]1CCCCN(CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1 ZINC000369260473 556553707 /nfs/dbraw/zinc/55/37/07/556553707.db2.gz VZMKKOVFPPSDTC-MRXNPFEDSA-N 1 0 367.453 2.431 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)[C@@H]2CC(=O)N(c3cccc(C)c3C)C2)CC1 ZINC000369594477 556641833 /nfs/dbraw/zinc/64/18/33/556641833.db2.gz YOXRLLZRBNSKPI-GOSISDBHSA-N 1 0 367.493 2.260 20 30 FEEDRO C=CCc1ccccc1OC[C@H](O)C[NH2+][C@H]1CCCN(c2cnn(C)c2)C1 ZINC000516277031 562038460 /nfs/dbraw/zinc/03/84/60/562038460.db2.gz SYTOPHPURHRUGP-AZUAARDMSA-N 1 0 370.497 2.147 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)[C@@H]2CC(=O)N(C3CCC(C)CC3)C2)CC1 ZINC000369688844 556669019 /nfs/dbraw/zinc/66/90/19/556669019.db2.gz FBEUSGWWAJWBNN-TVRKMHQQSA-N 1 0 359.514 2.018 20 30 FEEDRO C[NH+](C)[C@H](CNC(=O)N1CCC(n2cnc(C#N)n2)CC1)C1CCCCC1 ZINC000369721870 556677951 /nfs/dbraw/zinc/67/79/51/556677951.db2.gz HRKHAFPGTLMZHS-QGZVFWFLSA-N 1 0 373.505 2.007 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)[C@@H]2CCCN(C(=O)c3ccccc3)C2)CC1 ZINC000369757897 556686583 /nfs/dbraw/zinc/68/65/83/556686583.db2.gz QLGMUUVKVTZENS-LJQANCHMSA-N 1 0 367.493 2.143 20 30 FEEDRO N#Cc1ccncc1N1CCN(C(=O)NCC[NH2+]C2CCCCCC2)CC1 ZINC000516857129 562060681 /nfs/dbraw/zinc/06/06/81/562060681.db2.gz KMDSAAHYCXVVPN-UHFFFAOYSA-N 1 0 370.501 2.097 20 30 FEEDRO C[C@H]1C[C@H](NC(=O)N(C)CCOCc2ccc(C#N)cc2)C[N@@H+]1C1CC1 ZINC000516991978 562069708 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ZINC000378316992 558528217 /nfs/dbraw/zinc/52/82/17/558528217.db2.gz OMKLQQXVXAYFLP-LPHOPBHVSA-N 1 0 372.538 2.400 20 30 FEEDRO CN(CCC#N)c1ccc(CN2CCN([C@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC000378353362 558536895 /nfs/dbraw/zinc/53/68/95/558536895.db2.gz XJKICZVEDWCTQA-NRFANRHFSA-N 1 0 355.530 2.248 20 30 FEEDRO Cn1cc([C@@H](O)C[C@H]2CCC[N@@H+]2CCC(=O)Nc2ccccc2C#N)cn1 ZINC000378357590 558537780 /nfs/dbraw/zinc/53/77/80/558537780.db2.gz CKFFBKHZPGWEER-MJGOQNOKSA-N 1 0 367.453 2.208 20 30 FEEDRO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CC[C@H]2CC[N@H+](C)[C@H]2C1 ZINC000378459545 558562493 /nfs/dbraw/zinc/56/24/93/558562493.db2.gz UAQWJEUSAZPSTG-MDZRGWNJSA-N 1 0 358.461 2.487 20 30 FEEDRO Cc1cc(=NC(=O)N2CCC[C@@H]([NH+]3CCCCCC3)C2)[nH]n1CCC#N ZINC000378522931 558574287 /nfs/dbraw/zinc/57/42/87/558574287.db2.gz UIBZXUKHWUMJPV-QGZVFWFLSA-N 1 0 358.490 2.978 20 30 FEEDRO C=CCS(=O)(=O)CC[NH2+]C1CCN(CCc2ccc(F)cc2)CC1 ZINC000378625658 558596885 /nfs/dbraw/zinc/59/68/85/558596885.db2.gz QJUFQYBGRQOSRD-UHFFFAOYSA-N 1 0 354.491 2.023 20 30 FEEDRO C[C@H](O)C[N@@H+]1CCN(c2nc3c(c(C#N)c2C#N)CCCCCC3)C[C@H]1C ZINC000408332646 558667568 /nfs/dbraw/zinc/66/75/68/558667568.db2.gz YCZVEBPKQIWDAK-CVEARBPZSA-N 1 0 367.497 2.375 20 30 FEEDRO CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000409530434 558700587 /nfs/dbraw/zinc/70/05/87/558700587.db2.gz SNGBIVBRFDAACH-SJLPKXTDSA-N 1 0 364.515 2.139 20 30 FEEDRO CCN(C[C@@H](C)C#N)S(=O)(=O)NC[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000410161738 558743424 /nfs/dbraw/zinc/74/34/24/558743424.db2.gz LYVGCVCSRQOCBA-WMZOPIPTSA-N 1 0 370.563 2.347 20 30 FEEDRO C=C(C)CN(C)C(=O)C(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000410817507 558813738 /nfs/dbraw/zinc/81/37/38/558813738.db2.gz XURQDBCOYZHQQL-OAQYLSRUSA-N 1 0 355.482 2.146 20 30 FEEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)C[C@H]1C ZINC000525395900 562247311 /nfs/dbraw/zinc/24/73/11/562247311.db2.gz IKZUKKDIYKAWBV-RDTXWAMCSA-N 1 0 366.469 2.271 20 30 FEEDRO C=C[C@@H]1CCCCN1C(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(C)c1 ZINC000411480151 558901896 /nfs/dbraw/zinc/90/18/96/558901896.db2.gz VFZOMQFIIMCJDV-QGZVFWFLSA-N 1 0 359.470 2.441 20 30 FEEDRO CC[NH+]1CCC(NC(=O)NC2CCC(Oc3ncccc3C#N)CC2)CC1 ZINC000525846557 562257244 /nfs/dbraw/zinc/25/72/44/562257244.db2.gz PLXNIXNREKLNKO-UHFFFAOYSA-N 1 0 371.485 2.427 20 30 FEEDRO C=CCSc1ccccc1NC(=O)C[NH2+][C@@H](CO)[C@H]1CCCOC1 ZINC000411999221 559001035 /nfs/dbraw/zinc/00/10/35/559001035.db2.gz XBPLMUSRDNTHQX-HOCLYGCPSA-N 1 0 350.484 2.280 20 30 FEEDRO N#Cc1ccsc1C(=O)NCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000412780511 559055732 /nfs/dbraw/zinc/05/57/32/559055732.db2.gz QKSXAEBYGAFUFM-UHFFFAOYSA-N 1 0 355.463 2.377 20 30 FEEDRO C=CC[C@@H](Cc1ccccc1)NC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000413298789 559096878 /nfs/dbraw/zinc/09/68/78/559096878.db2.gz SWLNEXVCHNNSFH-OALUTQOASA-N 1 0 372.513 2.060 20 30 FEEDRO C[NH+](C)[C@H]1CCC[C@@H]1NS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000414466244 559166328 /nfs/dbraw/zinc/16/63/28/559166328.db2.gz VJRJUHVKEKBMPK-KBPBESRZSA-N 1 0 361.389 2.338 20 30 FEEDRO CN(C)C(=O)[C@@H]1CC[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000414499186 559168789 /nfs/dbraw/zinc/16/87/89/559168789.db2.gz OBQDERYKGZSWQY-QGZVFWFLSA-N 1 0 351.454 2.374 20 30 FEEDRO C[C@H]([NH2+]CC1(c2ccc(F)cc2)CCOCC1)C(=O)NC1(C#N)CCC1 ZINC000527039974 562274275 /nfs/dbraw/zinc/27/42/75/562274275.db2.gz DIPNKAWBLPADRX-HNNXBMFYSA-N 1 0 359.445 2.414 20 30 FEEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(C)C[C@@H](O)C[NH3+] ZINC000415069722 559203728 /nfs/dbraw/zinc/20/37/28/559203728.db2.gz XLURGKCERVLROW-HNNXBMFYSA-N 1 0 354.410 2.442 20 30 FEEDRO COC[C@@]1(CNC(=O)Nc2cc(C#N)ccc2OC(F)F)CCC[NH2+]1 ZINC000415121175 559206424 /nfs/dbraw/zinc/20/64/24/559206424.db2.gz HNYPBFFWTINRGE-INIZCTEOSA-N 1 0 354.357 2.050 20 30 FEEDRO COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N(CCC#N)CCC(C)C ZINC000527130015 562277496 /nfs/dbraw/zinc/27/74/96/562277496.db2.gz FJDDQEGAMCHIES-UHFFFAOYSA-N 1 0 374.485 2.484 20 30 FEEDRO C[NH2+][C@@H]1CCN(C(=O)C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)C1 ZINC000415299325 559221961 /nfs/dbraw/zinc/22/19/61/559221961.db2.gz MNEFDQKYVZEYCQ-MRXNPFEDSA-N 1 0 364.405 2.109 20 30 FEEDRO CC(C)[C@H]1CCc2c(C#N)c(NC(=O)C(=O)NC[C@@H]3CCC[NH2+]3)sc2C1 ZINC000415372816 559228632 /nfs/dbraw/zinc/22/86/32/559228632.db2.gz GVLULXNRYBOMCD-STQMWFEESA-N 1 0 374.510 2.187 20 30 FEEDRO CC(C)(C#N)c1ccc(NC(=O)C(=O)N[C@@H](C[NH3+])C2CCCCC2)cc1 ZINC000415435207 559236418 /nfs/dbraw/zinc/23/64/18/559236418.db2.gz YWNQQODPMIFGKS-KRWDZBQOSA-N 1 0 356.470 2.450 20 30 FEEDRO C[C@H]1CN(C(=O)C(=O)Nc2ccccc2C#Cc2ccccc2)CC[C@H]1[NH3+] ZINC000415435796 559236570 /nfs/dbraw/zinc/23/65/70/559236570.db2.gz JRSNSUAZPHYVAN-QFBILLFUSA-N 1 0 361.445 2.221 20 30 FEEDRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)C1 ZINC000415436017 559236572 /nfs/dbraw/zinc/23/65/72/559236572.db2.gz BHBOWCWKPJGSIS-GXTWGEPZSA-N 1 0 372.860 2.988 20 30 FEEDRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)Nc2ccccc2SCCC#N)C1 ZINC000415437006 559236674 /nfs/dbraw/zinc/23/66/74/559236674.db2.gz KKLBRDPOVRGIKS-UONOGXRCSA-N 1 0 360.483 2.217 20 30 FEEDRO C[C@@]1(CNC(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)CCC[NH2+]C1 ZINC000415446557 559237937 /nfs/dbraw/zinc/23/79/37/559237937.db2.gz HIVGPOFXGUQMIW-GOSISDBHSA-N 1 0 372.860 2.909 20 30 FEEDRO CN(C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1)[C@@H](C[NH3+])C1CC1 ZINC000415457454 559239151 /nfs/dbraw/zinc/23/91/51/559239151.db2.gz LCUMQEUMYIUHPT-HNNXBMFYSA-N 1 0 358.833 2.598 20 30 FEEDRO N#Cc1ccc(-n2ccc(NC(=O)NC[C@@H]3CCC[C@@H]([NH3+])C3)n2)c(Cl)c1 ZINC000415460533 559239499 /nfs/dbraw/zinc/23/94/99/559239499.db2.gz NKADONHNOFMNCW-ZIAGYGMSSA-N 1 0 372.860 3.036 20 30 FEEDRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 ZINC000415465014 559239935 /nfs/dbraw/zinc/23/99/35/559239935.db2.gz SAUFEKHFXLUGTR-NWDGAFQWSA-N 1 0 358.833 2.611 20 30 FEEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000415467773 559240346 /nfs/dbraw/zinc/24/03/46/559240346.db2.gz VCYVUDKTVRGNNJ-MCIONIFRSA-N 1 0 360.483 2.215 20 30 FEEDRO C[NH2+][C@H]1CCCN(C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)C1 ZINC000415467105 559240363 /nfs/dbraw/zinc/24/03/63/559240363.db2.gz UYNWCJAQCSKFAJ-ZDUSSCGKSA-N 1 0 358.833 2.613 20 30 FEEDRO CC(C)(CCC[NH3+])NC(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 ZINC000415468299 559240371 /nfs/dbraw/zinc/24/03/71/559240371.db2.gz WCCFLPCFXWEMQS-UHFFFAOYSA-N 1 0 360.849 3.036 20 30 FEEDRO N#Cc1ccc(-n2ccc(NC(=O)NC[C@H]3CC[C@H](C[NH3+])CC3)n2)c(F)c1 ZINC000415470305 559240730 /nfs/dbraw/zinc/24/07/30/559240730.db2.gz YRHZVGXWJIAXIR-OKILXGFUSA-N 1 0 370.432 2.770 20 30 FEEDRO N#Cc1cc(NC(=O)C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)ccc1Cl ZINC000415521608 559246111 /nfs/dbraw/zinc/24/61/11/559246111.db2.gz POURRGXUEBSUTC-MRXNPFEDSA-N 1 0 360.845 2.141 20 30 FEEDRO N#CCc1ccc(NC(=O)C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)c(Cl)c1 ZINC000415524370 559246480 /nfs/dbraw/zinc/24/64/80/559246480.db2.gz RYFJOHLFMNTNLN-MRXNPFEDSA-N 1 0 374.872 2.335 20 30 FEEDRO CC(C)[C@@H]1CCc2c(C#N)c(NC(=O)C(=O)NCC3([NH3+])CCC3)sc2C1 ZINC000415552301 559248944 /nfs/dbraw/zinc/24/89/44/559248944.db2.gz AITXNJGZWGCLEE-GFCCVEGCSA-N 1 0 374.510 2.317 20 30 FEEDRO CC1(CNC(=O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CC[NH2+]CC1 ZINC000415565360 559250256 /nfs/dbraw/zinc/25/02/56/559250256.db2.gz UNPIPOZYIVNGFJ-UHFFFAOYSA-N 1 0 368.359 2.021 20 30 FEEDRO CC(C)(C)n1cc(C#N)cc1NC(=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000415585409 559252863 /nfs/dbraw/zinc/25/28/63/559252863.db2.gz XKEZUAZGUQQKDE-OAHLLOKOSA-N 1 0 359.474 2.334 20 30 FEEDRO N#CCc1ccc(NC(=O)C(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)c(Cl)c1 ZINC000415768898 559269535 /nfs/dbraw/zinc/26/95/35/559269535.db2.gz WFLYAYDLUWHPMN-OAHLLOKOSA-N 1 0 374.872 2.193 20 30 FEEDRO C[C@H](CCCC[NH3+])NC(=O)C(=O)Nc1cccc(C#Cc2ccccn2)c1 ZINC000415788629 559271120 /nfs/dbraw/zinc/27/11/20/559271120.db2.gz QUHLVXLKFCYKFP-MRXNPFEDSA-N 1 0 364.449 2.054 20 30 FEEDRO Cn1ncc(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)c1C#N ZINC000527250536 562282270 /nfs/dbraw/zinc/28/22/70/562282270.db2.gz MEFJEFMYPXLQOI-MJGOQNOKSA-N 1 0 363.465 2.418 20 30 FEEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCCC[NH2+]C1CC1 ZINC000415863599 559279653 /nfs/dbraw/zinc/27/96/53/559279653.db2.gz UTVWZNGTXIDMBK-ZDUSSCGKSA-N 1 0 360.483 2.278 20 30 FEEDRO CC[NH2+]Cc1ccccc1NC(=O)N1CCN(c2ccc(C#N)cn2)CC1 ZINC000415940051 559283525 /nfs/dbraw/zinc/28/35/25/559283525.db2.gz DHABYGFFCCPVBA-UHFFFAOYSA-N 1 0 364.453 2.417 20 30 FEEDRO N#Cc1ccc(OC2CN(C(=O)Nc3ccc(OCC[NH3+])cc3)C2)cc1 ZINC000415945895 559283714 /nfs/dbraw/zinc/28/37/14/559283714.db2.gz MGACLVAZRXSNML-UHFFFAOYSA-N 1 0 352.394 2.191 20 30 FEEDRO C[C@H](C#N)CN(C(=O)Nc1ccccc1OCCN1CC[NH2+]CC1)C1CC1 ZINC000416032248 559290137 /nfs/dbraw/zinc/29/01/37/559290137.db2.gz VEFXUAUNWIRNIA-MRXNPFEDSA-N 1 0 371.485 2.127 20 30 FEEDRO C[N@@H+](Cc1ccc(C#N)cc1)C[C@@H](O)COc1ccc2c(c1)CCC(=O)N2 ZINC000416462662 559314839 /nfs/dbraw/zinc/31/48/39/559314839.db2.gz RSACYECSLOZDKO-GOSISDBHSA-N 1 0 365.433 2.315 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCNC[C@H]1c1cccnc1)C(C)C ZINC000417061769 559346273 /nfs/dbraw/zinc/34/62/73/559346273.db2.gz LGORUGZVHYRSFZ-PMACEKPBSA-N 1 0 371.529 2.436 20 30 FEEDRO N#Cc1ccc(N2CCC[C@H](NC(=O)N3CCCC[C@H]3C[NH3+])C2)c(F)c1 ZINC000417577490 559367347 /nfs/dbraw/zinc/36/73/47/559367347.db2.gz LSCSSMQILPPVHN-HOTGVXAUSA-N 1 0 359.449 2.189 20 30 FEEDRO CCCC[C@H](C[NH3+])NC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000417579970 559367529 /nfs/dbraw/zinc/36/75/29/559367529.db2.gz QHAYAUYUEKSPLN-HZPDHXFCSA-N 1 0 361.465 2.483 20 30 FEEDRO C[C@@H]1C[C@H](NC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)CC[NH2+]1 ZINC000417582825 559367717 /nfs/dbraw/zinc/36/77/17/559367717.db2.gz VWCYFEAWQMIOIY-BMFZPTHFSA-N 1 0 359.449 2.106 20 30 FEEDRO N#CCC[C@@H](NC(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+])c1ccccc1 ZINC000417912035 559381709 /nfs/dbraw/zinc/38/17/09/559381709.db2.gz IITGNBMFOSORHL-QZTJIDSGSA-N 1 0 371.485 2.061 20 30 FEEDRO C=CCCC[C@H](C)NC(=O)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000417982081 559384901 /nfs/dbraw/zinc/38/49/01/559384901.db2.gz MXHXEZRVBRLPHY-GVDBMIGSSA-N 1 0 350.507 2.021 20 30 FEEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000418754082 559414085 /nfs/dbraw/zinc/41/40/85/559414085.db2.gz WGDKLSDZIOUCIQ-AWEZNQCLSA-N 1 0 354.357 2.290 20 30 FEEDRO C=CCOc1ccccc1CNC(=O)C(=O)NCC[NH2+]C1CCCCCC1 ZINC000418935265 559422473 /nfs/dbraw/zinc/42/24/73/559422473.db2.gz LARYPIHYJJPXQA-UHFFFAOYSA-N 1 0 373.497 2.296 20 30 FEEDRO N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000419603266 559449397 /nfs/dbraw/zinc/44/93/97/559449397.db2.gz BAZYHEFALVMHJC-PKOBYXMFSA-N 1 0 356.470 2.082 20 30 FEEDRO CC1CC[NH+](C[C@H](O)CNC(=O)N[C@@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000419632124 559450552 /nfs/dbraw/zinc/45/05/52/559450552.db2.gz FQBMRMFKPQTHOL-UYAOXDASSA-N 1 0 370.497 2.328 20 30 FEEDRO C=C(C)[C@H](NC(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1)c1ccc(F)c(F)c1 ZINC000419678965 559453530 /nfs/dbraw/zinc/45/35/30/559453530.db2.gz OWIWNSNSOCSQCU-IRXDYDNUSA-N 1 0 365.424 2.332 20 30 FEEDRO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1C[C@H](C)C[C@H](C(=O)OC(C)(C)C)C1 ZINC000421002072 559518682 /nfs/dbraw/zinc/51/86/82/559518682.db2.gz DJIWLWBAPUAQHJ-OAGGEKHMSA-N 1 0 351.491 2.294 20 30 FEEDRO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1C[C@H](C(=O)OC(C)(C)C)C[C@H](C)C1 ZINC000421002070 559518890 /nfs/dbraw/zinc/51/88/90/559518890.db2.gz DJIWLWBAPUAQHJ-ARFHVFGLSA-N 1 0 351.491 2.294 20 30 FEEDRO COC1([C@H](C)[NH2+]CC(=O)Nc2ccc(C#N)c(Cl)c2)CCOCC1 ZINC000421036557 559521315 /nfs/dbraw/zinc/52/13/15/559521315.db2.gz QKNLSUKCBBMDTD-LBPRGKRZSA-N 1 0 351.834 2.324 20 30 FEEDRO CCOC(=O)c1c(NC(=O)N2CC[N@H+](C)CC[C@H]2C)c(C#N)cn1CC ZINC000421178295 559529244 /nfs/dbraw/zinc/52/92/44/559529244.db2.gz WXXZRXOSNUNHEV-CYBMUJFWSA-N 1 0 361.446 2.114 20 30 FEEDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)CCC(=O)N(CCC#N)c1ccccc1 ZINC000421709494 559550362 /nfs/dbraw/zinc/55/03/62/559550362.db2.gz FOAVMYKFUQMTSL-GOSISDBHSA-N 1 0 356.470 2.266 20 30 FEEDRO C=C(C)[C@@H](CC(=O)N1CCCN(C2CC[NH+](CC)CC2)CC1)OCC ZINC000422021412 559561116 /nfs/dbraw/zinc/56/11/16/559561116.db2.gz NKAJNQKPSICVJX-LJQANCHMSA-N 1 0 351.535 2.376 20 30 FEEDRO C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000422086504 559564321 /nfs/dbraw/zinc/56/43/21/559564321.db2.gz OQCAATXYUJLBIV-PKOBYXMFSA-N 1 0 357.498 2.138 20 30 FEEDRO C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)C(=O)NCC(C)(C)CC#N)C1CC1 ZINC000422375349 559583150 /nfs/dbraw/zinc/58/31/50/559583150.db2.gz JIQMBANPFSKMGD-SFHVURJKSA-N 1 0 370.497 2.069 20 30 FEEDRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)NCC(C)(C)CC#N ZINC000422493225 559591913 /nfs/dbraw/zinc/59/19/13/559591913.db2.gz XTPOTESQUBYCLO-SFHVURJKSA-N 1 0 370.497 2.023 20 30 FEEDRO CCOC(=O)[C@@H]1NCC[C@H]1[NH2+]C1CCC(Oc2ccccc2C#N)CC1 ZINC000422987491 559613956 /nfs/dbraw/zinc/61/39/56/559613956.db2.gz ISAJRLGDGBATEV-HTPOPCQBSA-N 1 0 357.454 2.131 20 30 FEEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CCC(C[NH3+])CC1 ZINC000423020913 559615402 /nfs/dbraw/zinc/61/54/02/559615402.db2.gz DDRDFRPQLWCSCE-UHFFFAOYSA-N 1 0 355.891 2.113 20 30 FEEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000423023170 559615442 /nfs/dbraw/zinc/61/54/42/559615442.db2.gz JGGYZJMLWANPFJ-JSGCOSHPSA-N 1 0 367.902 2.127 20 30 FEEDRO C=CCN(Cc1ccccc1)C(=O)C(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1 ZINC000423130062 559620220 /nfs/dbraw/zinc/62/02/20/559620220.db2.gz XZUUCGANCBORIT-IBGZPJMESA-N 1 0 369.509 2.438 20 30 FEEDRO N#CCCC[C@H]([NH3+])C(=O)N1CCCC[C@H]1CNC(=O)Nc1ccccc1 ZINC000424099656 559654770 /nfs/dbraw/zinc/65/47/70/559654770.db2.gz VPDDFYGNTAMABS-IRXDYDNUSA-N 1 0 357.458 2.210 20 30 FEEDRO N#CCCC[C@H]([NH3+])C(=O)Nc1ccc(Cl)c(-n2nnnc2C2CC2)c1 ZINC000424131786 559655687 /nfs/dbraw/zinc/65/56/87/559655687.db2.gz VMOMTXCLEPOYDH-ZDUSSCGKSA-N 1 0 359.821 2.153 20 30 FEEDRO C=CCCn1cc(C(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)nn1 ZINC000424701026 559674091 /nfs/dbraw/zinc/67/40/91/559674091.db2.gz SNNNBECMMQERCS-GOSISDBHSA-N 1 0 353.470 2.448 20 30 FEEDRO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000425384963 559699203 /nfs/dbraw/zinc/69/92/03/559699203.db2.gz MUOMLUOVUVAHQH-HNNXBMFYSA-N 1 0 356.470 2.020 20 30 FEEDRO COCC(C)(C)[NH+]1CCN(CC(=O)Nc2sc(C)c(C)c2C#N)CC1 ZINC000425500893 559706058 /nfs/dbraw/zinc/70/60/58/559706058.db2.gz CWDVTMQALQGYMM-UHFFFAOYSA-N 1 0 364.515 2.218 20 30 FEEDRO N#Cc1cccc(NC(=O)CC[NH2+][C@@H](C2CCOCC2)C2(CO)CCC2)c1 ZINC000425539653 559708595 /nfs/dbraw/zinc/70/85/95/559708595.db2.gz KSIWVZGDMAVDBA-FQEVSTJZSA-N 1 0 371.481 2.434 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)NCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000425724271 559716112 /nfs/dbraw/zinc/71/61/12/559716112.db2.gz KHNWARYILPHDTR-SXLOBPIMSA-N 1 0 373.497 2.034 20 30 FEEDRO C[C@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000425882358 559723847 /nfs/dbraw/zinc/72/38/47/559723847.db2.gz IEJVUTNOHGLALB-ZTFGCOKTSA-N 1 0 356.470 2.067 20 30 FEEDRO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000425909871 559724874 /nfs/dbraw/zinc/72/48/74/559724874.db2.gz RLHBWZHNOODANM-HNNXBMFYSA-N 1 0 368.481 2.068 20 30 FEEDRO C=CCCCS(=O)(=O)Nc1ccc(OCCN2CC[NH+](C)CC2)cc1 ZINC000427781780 559762432 /nfs/dbraw/zinc/76/24/32/559762432.db2.gz UAUFUXPLJDJNTK-UHFFFAOYSA-N 1 0 367.515 2.021 20 30 FEEDRO C[C@H](c1ccccc1)[C@@H]([NH2+]CCC(=O)Nc1sccc1C#N)C(N)=O ZINC000428856934 559785052 /nfs/dbraw/zinc/78/50/52/559785052.db2.gz PMFCVEKOWICIRL-MLGOLLRUSA-N 1 0 356.451 2.196 20 30 FEEDRO CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH2+]C(C)(C)c2ccccc2F)CC1 ZINC000429239547 559793561 /nfs/dbraw/zinc/79/35/61/559793561.db2.gz VBKMLTQBZWALAL-GOSISDBHSA-N 1 0 360.477 2.343 20 30 FEEDRO C=CCN(C(=O)[C@@H]1CCC[C@@H]([NH3+])C1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000430524080 559821611 /nfs/dbraw/zinc/82/16/11/559821611.db2.gz JFRUYWJAAFMBOR-USXIJHARSA-N 1 0 354.458 2.255 20 30 FEEDRO C[C@@H]1C[N@@H+](CCCCNC(=O)c2ncc(C#N)cc2Cl)C[C@H](C)O1 ZINC000432196051 559854076 /nfs/dbraw/zinc/85/40/76/559854076.db2.gz MGGBWRICNMMHPR-BETUJISGSA-N 1 0 350.850 2.226 20 30 FEEDRO Cc1ccc(C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)c(=O)n1C ZINC000433336671 559877433 /nfs/dbraw/zinc/87/74/33/559877433.db2.gz AKXFAMIWIXIAPT-UHFFFAOYSA-N 1 0 362.437 2.156 20 30 FEEDRO C[C@@H](CNC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C)[N@@H+]1CCCC[C@@H]1C ZINC000434729779 559908018 /nfs/dbraw/zinc/90/80/18/559908018.db2.gz ZEPKTUYUEXOHGI-GJZGRUSLSA-N 1 0 373.501 2.432 20 30 FEEDRO COC(=O)[C@H]1CC[N@H+](Cc2cn(CCC#N)nc2-c2ccncc2)[C@@H]1C ZINC000434983825 559913657 /nfs/dbraw/zinc/91/36/57/559913657.db2.gz UKAUQTZBRXKIEQ-PBHICJAKSA-N 1 0 353.426 2.242 20 30 FEEDRO C[N@H+](CCC(=O)Nc1cccc(C#N)c1)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000437881959 559971120 /nfs/dbraw/zinc/97/11/20/559971120.db2.gz NMWDHUWOTSOMAX-IAGOWNOFSA-N 1 0 363.483 2.174 20 30 FEEDRO COc1cc(C[NH2+][C@@H]2CC(=O)N(CCOc3ccccc3)C2)ccc1C#N ZINC000440814578 560018802 /nfs/dbraw/zinc/01/88/02/560018802.db2.gz DUCPNWDQEKVKBM-GOSISDBHSA-N 1 0 365.433 2.336 20 30 FEEDRO C[N@@H+]1CCN(CCNC(=O)N[C@H](CCC#N)c2ccccc2)CC1(C)C ZINC000441014894 560021614 /nfs/dbraw/zinc/02/16/14/560021614.db2.gz PYTFEXMIKRUTJI-GOSISDBHSA-N 1 0 357.502 2.357 20 30 FEEDRO CCN1C[C@H](C)N(C(=O)C(=O)Nc2cccc(OCCCC#N)c2)C[C@H]1C ZINC000441106255 560024070 /nfs/dbraw/zinc/02/40/70/560024070.db2.gz QYIJXIXQHRUFLS-CVEARBPZSA-N 1 0 372.469 2.249 20 30 FEEDRO C[C@@H](NC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1)C(C)(C)C[NH+](C)C ZINC000443244482 560076239 /nfs/dbraw/zinc/07/62/39/560076239.db2.gz OZHYVLVLXVFCBK-QGZVFWFLSA-N 1 0 371.529 2.362 20 30 FEEDRO C[C@H](CNC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)[N@H+](C)C1CC1 ZINC000448891647 560205162 /nfs/dbraw/zinc/20/51/62/560205162.db2.gz UVOSAMLYXGPAJG-TZMCWYRMSA-N 1 0 374.872 2.163 20 30 FEEDRO C[C@H]1C[C@@]1(C#N)C(=O)NCc1cccc(OCC[N@H+](C)C2CCOCC2)c1 ZINC000448892542 560205189 /nfs/dbraw/zinc/20/51/89/560205189.db2.gz CSLSHBVAWLDJGZ-KKSFZXQISA-N 1 0 371.481 2.342 20 30 FEEDRO C[NH+](C)C1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1 ZINC000448941739 560207956 /nfs/dbraw/zinc/20/79/56/560207956.db2.gz NTUIULFLLKVEIL-CQSZACIVSA-N 1 0 374.872 2.117 20 30 FEEDRO Cc1[nH]c(C#N)cc1C(=O)N(C)C[C@H](c1cccs1)N1CCOCC1 ZINC000450042302 560249021 /nfs/dbraw/zinc/24/90/21/560249021.db2.gz LPMJZFTUAMYPQW-MRXNPFEDSA-N 1 0 358.467 2.402 20 30 FEEDRO CN1CCC(CNc2ncc(C#N)cc2[N+](=O)[O-])([NH+]2CCCCC2)CC1 ZINC000450355724 560259500 /nfs/dbraw/zinc/25/95/00/560259500.db2.gz DLAZIAYSFRIGHJ-UHFFFAOYSA-N 1 0 358.446 2.224 20 30 FEEDRO CC(=O)N1CCC[N@H+](C[C@H]2CCCN(c3nccc(C)c3C#N)C2)CC1 ZINC000450763646 560272541 /nfs/dbraw/zinc/27/25/41/560272541.db2.gz BLGFQVFLNRPKPG-GOSISDBHSA-N 1 0 355.486 2.032 20 30 FEEDRO N#CCC1(CS(=O)(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)CC1 ZINC000451168362 560290890 /nfs/dbraw/zinc/29/08/90/560290890.db2.gz VRHNCSGAKRHGPV-SFHVURJKSA-N 1 0 361.511 2.164 20 30 FEEDRO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@@H](CO)[C@H]2CC)cc1 ZINC000451257695 560296339 /nfs/dbraw/zinc/29/63/39/560296339.db2.gz VUEPAEVTPPFIRF-QFBILLFUSA-N 1 0 359.470 2.425 20 30 FEEDRO CC(C)[C@@H](CO)[C@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)C(C)C ZINC000451603887 560317027 /nfs/dbraw/zinc/31/70/27/560317027.db2.gz XURNTQZNAYPJGD-QZTJIDSGSA-N 1 0 352.500 2.211 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1CCCOC ZINC000451675163 560321469 /nfs/dbraw/zinc/32/14/69/560321469.db2.gz OXUOOONEOJALQD-MSOLQXFVSA-N 1 0 374.485 2.275 20 30 FEEDRO C[C@@H](CC#N)N(C)S(=O)(=O)N1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000452008697 560345110 /nfs/dbraw/zinc/34/51/10/560345110.db2.gz BKBBWUQMEQVQBW-HNNXBMFYSA-N 1 0 358.552 2.298 20 30 FEEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1CC[C@H](CCCO)C1 ZINC000452127276 560353054 /nfs/dbraw/zinc/35/30/54/560353054.db2.gz KZXPGAAAULBHPV-IRXDYDNUSA-N 1 0 359.470 2.425 20 30 FEEDRO C=CCn1c([C@@H]2CCCO2)nnc1N1CC[N@@H+](CCOCC)[C@H](CC)C1 ZINC000453424038 560386388 /nfs/dbraw/zinc/38/63/88/560386388.db2.gz GOBPINICIGFJGA-SJORKVTESA-N 1 0 363.506 2.253 20 30 FEEDRO N#CCc1ccc(NC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)c(Cl)c1 ZINC000453604016 560390786 /nfs/dbraw/zinc/39/07/86/560390786.db2.gz BXRMFJGHCVDOFW-HNNXBMFYSA-N 1 0 374.872 2.431 20 30 FEEDRO N#CCc1cccc(NC(=O)C(=O)N2CC[NH+](CC3CCCCC3)CC2)c1 ZINC000453633357 560392180 /nfs/dbraw/zinc/39/21/80/560392180.db2.gz FZHUIKVGLHVLFA-UHFFFAOYSA-N 1 0 368.481 2.416 20 30 FEEDRO Cc1cc(C#N)cc(NC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000453647171 560393242 /nfs/dbraw/zinc/39/32/42/560393242.db2.gz HXJWIBMAMPXPNB-SFHVURJKSA-N 1 0 354.454 2.282 20 30 FEEDRO C[C@H]1CN(C(=O)C(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)C[C@H]1[NH+](C)C ZINC000453672768 560395532 /nfs/dbraw/zinc/39/55/32/560395532.db2.gz LMYKFYILRXWNTO-XJKSGUPXSA-N 1 0 372.469 2.083 20 30 FEEDRO Cc1cc(C#N)cc(NC(=O)C(=O)N[C@@H](C)C[N@H+](C)Cc2ccccc2)c1 ZINC000453695151 560397406 /nfs/dbraw/zinc/39/74/06/560397406.db2.gz KRBHXULIJULGQQ-INIZCTEOSA-N 1 0 364.449 2.442 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1NC(=O)C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000453936396 560414552 /nfs/dbraw/zinc/41/45/52/560414552.db2.gz MYQXKVDIOAPRCL-MOPGFXCFSA-N 1 0 371.481 2.317 20 30 FEEDRO CC[C@@H]1C[N@H+](CC)CCN1C(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000455131812 560471165 /nfs/dbraw/zinc/47/11/65/560471165.db2.gz BTUMAOGPURGOAO-MRXNPFEDSA-N 1 0 353.430 2.087 20 30 FEEDRO N#CCc1ccc(NC(=O)NC[C@H](O)C[NH+]2CCCCC2)c(Cl)c1 ZINC000455712520 560492688 /nfs/dbraw/zinc/49/26/88/560492688.db2.gz ZWRUFSLTSSSSIE-AWEZNQCLSA-N 1 0 350.850 2.374 20 30 FEEDRO Cc1ccc(C#N)c(N2CCC[C@H](C(=O)NCCCC[N@@H+](C)C3CC3)C2)n1 ZINC000457197775 560555444 /nfs/dbraw/zinc/55/54/44/560555444.db2.gz JODMCYFGIWKWIY-SFHVURJKSA-N 1 0 369.513 2.469 20 30 FEEDRO CN(CC(C)(C)C#N)C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000457725684 560583991 /nfs/dbraw/zinc/58/39/91/560583991.db2.gz WELGVAZDVRXNBA-UHFFFAOYSA-N 1 0 357.502 2.390 20 30 FEEDRO C=C(C)[C@H]1OCCC[C@H]1C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC000457814293 560589063 /nfs/dbraw/zinc/58/90/63/560589063.db2.gz KYVOMLRMNIRHFM-YZYRWKSTSA-N 1 0 350.503 2.458 20 30 FEEDRO CC(C)(C)OC(=O)[C@]1(C)CC[N@H+](C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000459585164 560696122 /nfs/dbraw/zinc/69/61/22/560696122.db2.gz OUGWQIQOQJXVAU-OXQOHEQNSA-N 1 0 360.454 2.352 20 30 FEEDRO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC[C@](C)(C(=O)OC(C)(C)C)C1 ZINC000459586731 560696136 /nfs/dbraw/zinc/69/61/36/560696136.db2.gz PMBJJONLYQIMAB-MDASCCDHSA-N 1 0 351.491 2.483 20 30 FEEDRO C[C@H](CN(C)CCS(=O)(=O)c1cccc(C#N)c1)C(=O)OC(C)(C)C ZINC000459810796 560710033 /nfs/dbraw/zinc/71/00/33/560710033.db2.gz QILHEKMOCRKQDL-CQSZACIVSA-N 1 0 366.483 2.242 20 30 FEEDRO C=C(C)Cn1c(C(=O)NC(C)C)nnc1N(C)C1CC[NH+](CCC)CC1 ZINC000460781843 560751769 /nfs/dbraw/zinc/75/17/69/560751769.db2.gz KXFXZLJASVTQCA-UHFFFAOYSA-N 1 0 362.522 2.303 20 30 FEEDRO C[C@H](C(=O)NCc1ccnc(OCC[NH+](C)C)c1)c1cccc(C#N)c1 ZINC000462267024 560803537 /nfs/dbraw/zinc/80/35/37/560803537.db2.gz GOFSCQBFGCEFPT-HNNXBMFYSA-N 1 0 352.438 2.314 20 30 FEEDRO C[NH+](C)C1(CNS(=O)(=O)c2ccc(F)c(C#N)c2)Cc2ccccc2C1 ZINC000462318756 560805696 /nfs/dbraw/zinc/80/56/96/560805696.db2.gz WWJXOLHHAJYESN-UHFFFAOYSA-N 1 0 373.453 2.075 20 30 FEEDRO C[C@@H]1C[C@H](NC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)CC[N@@H+]1C ZINC000465874272 560874683 /nfs/dbraw/zinc/87/46/83/560874683.db2.gz MNYQLFGNTALBDH-OIISXLGYSA-N 1 0 373.476 2.448 20 30 FEEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1CCCc2n[nH]cc21 ZINC000467098787 560903625 /nfs/dbraw/zinc/90/36/25/560903625.db2.gz AQXQYSPKDNVFMA-KRWDZBQOSA-N 1 0 351.454 2.292 20 30 FEEDRO COCC[N@@H+]1CC[C@H](NC(=O)c2cn(CCCC#N)c3ccccc23)C1 ZINC000469377450 560953714 /nfs/dbraw/zinc/95/37/14/560953714.db2.gz QZNHQDCYMMGUSP-INIZCTEOSA-N 1 0 354.454 2.396 20 30 FEEDRO COC(=O)[C@@H]1CC[N@H+]([C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)[C@H]1C ZINC000469998124 560971424 /nfs/dbraw/zinc/97/14/24/560971424.db2.gz BSDUPSJCILYUHS-JJRVBVJISA-N 1 0 361.417 2.344 20 30 FEEDRO C=CCc1ccc(OC[C@H](O)C[N@H+]2CC[C@H](C(=O)OC)[C@@H]2C)c(OC)c1 ZINC000470003326 560971549 /nfs/dbraw/zinc/97/15/49/560971549.db2.gz QDWLDBROGJTMDG-UAGQMJEPSA-N 1 0 363.454 2.047 20 30 FEEDRO N#Cc1ccc([C@@H](C(N)=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000471003899 560996293 /nfs/dbraw/zinc/99/62/93/560996293.db2.gz GNAPJQYKSAMDHG-HBMCJLEFSA-N 1 0 360.461 2.148 20 30 FEEDRO CCN(CCC[NH+]1CCN(c2ccc(C#N)cn2)CC1)CC(F)(F)F ZINC000475018838 561087904 /nfs/dbraw/zinc/08/79/04/561087904.db2.gz WKMYDCMKEVOMSY-UHFFFAOYSA-N 1 0 355.408 2.350 20 30 FEEDRO CC[NH+](CC)CCOc1cc(NC(=O)c2cnn(C)c2C#N)ccc1OC ZINC000475466901 561098054 /nfs/dbraw/zinc/09/80/54/561098054.db2.gz DVCPMEGUJDFTBF-UHFFFAOYSA-N 1 0 371.441 2.273 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cnn([C@@H](C)CC)c2C2CC2)CC1 ZINC000476935592 561132423 /nfs/dbraw/zinc/13/24/23/561132423.db2.gz VLZBMWSJPWAKEQ-AWEZNQCLSA-N 1 0 373.501 2.437 20 30 FEEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@H](C)C[NH+](CC)CC ZINC000477099237 561136647 /nfs/dbraw/zinc/13/66/47/561136647.db2.gz KXWOILNWPFRATE-MRXNPFEDSA-N 1 0 358.486 2.143 20 30 FEEDRO COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](CCCOc2cccc(C#N)c2)C1 ZINC000477139691 561137683 /nfs/dbraw/zinc/13/76/83/561137683.db2.gz QHUKYDIADKLOJM-FUHWJXTLSA-N 1 0 359.470 2.190 20 30 FEEDRO N#Cc1ccccc1OC[C@@H](O)C[NH+]1CCC(CC(=O)N2CCCC2)CC1 ZINC000528355127 562324501 /nfs/dbraw/zinc/32/45/01/562324501.db2.gz YEDKIPYMVPFUNC-IBGZPJMESA-N 1 0 371.481 2.022 20 30 FEEDRO N#Cc1ccccc1OC[C@H](O)CN1CC[NH+](CCc2cccs2)CC1 ZINC000528359912 562324784 /nfs/dbraw/zinc/32/47/84/562324784.db2.gz TYZGZFIWQBHDLT-GOSISDBHSA-N 1 0 371.506 2.220 20 30 FEEDRO N#CC1(C[C@@H](O)C[NH+]2CCC(n3cc(Br)cn3)CC2)CC1 ZINC000528380416 562325866 /nfs/dbraw/zinc/32/58/66/562325866.db2.gz PKRLNDFPJDPSGP-CQSZACIVSA-N 1 0 353.264 2.337 20 30 FEEDRO O=C1c2ccccc2C(=O)N1CC#CCN1CCN(c2cccs2)CC1 ZINC000528402884 562327040 /nfs/dbraw/zinc/32/70/40/562327040.db2.gz HSYNGTGMYZQEIP-UHFFFAOYSA-N 1 0 365.458 2.170 20 30 FEEDRO CC(C)n1cnnc1[C@H]1CCC[N@H+](C[C@@H](O)COc2ccccc2C#N)C1 ZINC000528422936 562328597 /nfs/dbraw/zinc/32/85/97/562328597.db2.gz GRJLHPQQOPLICB-ZWKOTPCHSA-N 1 0 369.469 2.350 20 30 FEEDRO O=C1c2ccccc2C(=O)N1CC#CC[N@@H+]1CCC[C@H]1C1CCOCC1 ZINC000528442581 562329601 /nfs/dbraw/zinc/32/96/01/562329601.db2.gz ZLASDCOGUNXICV-IBGZPJMESA-N 1 0 352.434 2.177 20 30 FEEDRO COc1ccc(CN2CC[C@H]2CNS(=O)(=O)c2cccc(C#N)c2)cc1 ZINC000528504996 562332905 /nfs/dbraw/zinc/33/29/05/562332905.db2.gz XDPOFGQFDREHTK-KRWDZBQOSA-N 1 0 371.462 2.120 20 30 FEEDRO COCCc1noc(CC2CC[NH+](CCOc3ccc(C#N)cc3)CC2)n1 ZINC000528618259 562338545 /nfs/dbraw/zinc/33/85/45/562338545.db2.gz JAXZWASUHWBKIG-UHFFFAOYSA-N 1 0 370.453 2.464 20 30 FEEDRO N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@](O)(c2ccccc2)C1 ZINC000528658524 562340702 /nfs/dbraw/zinc/34/07/02/562340702.db2.gz PQYKBMBJYVWPSK-TZIWHRDSSA-N 1 0 352.434 2.282 20 30 FEEDRO N#Cc1ccc(CC(=O)Nc2cccc(C[NH+]3CCC(CO)CC3)c2)cn1 ZINC000528807605 562348705 /nfs/dbraw/zinc/34/87/05/562348705.db2.gz LTHJDPNJQXCGRQ-UHFFFAOYSA-N 1 0 364.449 2.339 20 30 FEEDRO N#Cc1cccnc1-n1cc(NC(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)cn1 ZINC000529061266 562358518 /nfs/dbraw/zinc/35/85/18/562358518.db2.gz HHDHCNYFSADCOF-QGZVFWFLSA-N 1 0 365.441 2.277 20 30 FEEDRO N#Cc1ccc(N2CCN(C(=O)N[C@H]3CC[NH2+]C34CCC4)CC2)c(Cl)c1 ZINC000529351546 562370657 /nfs/dbraw/zinc/37/06/57/562370657.db2.gz IDEGWGFWUCOBFQ-KRWDZBQOSA-N 1 0 373.888 2.328 20 30 FEEDRO N#Cc1ccccc1OC[C@H](O)C[NH2+][C@@H]1CCCN(C2CCCCC2)C1=O ZINC000530230616 562403152 /nfs/dbraw/zinc/40/31/52/562403152.db2.gz BIOAEHLPTRUETH-RTBURBONSA-N 1 0 371.481 2.211 20 30 FEEDRO N#Cc1ccccc1OC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)C2CCCCC2)C1 ZINC000530232858 562403304 /nfs/dbraw/zinc/40/33/04/562403304.db2.gz TYFKNYCNDJIRRS-RTBURBONSA-N 1 0 371.481 2.069 20 30 FEEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCC[N@@H+]1CC[C@H](C)C1 ZINC000531044474 562432762 /nfs/dbraw/zinc/43/27/62/562432762.db2.gz NCVGWPGHHKKQLT-GJZGRUSLSA-N 1 0 374.510 2.477 20 30 FEEDRO C[NH+]1CCN(C[C@H](NC(=O)Cc2cccc(C#N)c2)c2ccccc2)CC1 ZINC000531152223 562436343 /nfs/dbraw/zinc/43/63/43/562436343.db2.gz UBOPIOSSVRBFAN-NRFANRHFSA-N 1 0 362.477 2.206 20 30 FEEDRO CCCCNC(=O)[C@H]1CCCN(Cc2cccc(C(=O)OC)c2C#N)C1 ZINC000533722269 562516849 /nfs/dbraw/zinc/51/68/49/562516849.db2.gz MYZOEGDRYYXXSA-INIZCTEOSA-N 1 0 357.454 2.473 20 30 FEEDRO Cn1cc(CN2CCN(c3ccc(Br)cc3C#N)CC2)cn1 ZINC000542101735 562626913 /nfs/dbraw/zinc/62/69/13/562626913.db2.gz CRBVYADVENBCQV-UHFFFAOYSA-N 1 0 360.259 2.376 20 30 FEEDRO COc1cc([C@@H](C)[NH2+]Cc2cnc3c(C#N)cnn3c2)cc(OC)c1OC ZINC000549761498 562639145 /nfs/dbraw/zinc/63/91/45/562639145.db2.gz LHDATXHJUBVRLF-GFCCVEGCSA-N 1 0 367.409 2.478 20 30 FEEDRO C[C@H](Nc1cnn(C2CC[NH+](C)CC2)c1)C(=O)NC1(C#N)CCCCC1 ZINC000601937150 567880812 /nfs/dbraw/zinc/88/08/12/567880812.db2.gz VIFZYLFIBFVLRF-HNNXBMFYSA-N 1 0 358.490 2.293 20 30 FEEDRO CN(C(=O)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)[C@@H]1CCC[C@@H]1C#N ZINC000602062238 567922828 /nfs/dbraw/zinc/92/28/28/567922828.db2.gz JVCKLDXBIORJKR-ZTFGCOKTSA-N 1 0 354.454 2.325 20 30 FEEDRO N#CC[C@@]1(O)CCN(C(=O)N[C@@H]2CCCCC[N@H+](Cc3ccccc3)C2)C1 ZINC000602392512 567974912 /nfs/dbraw/zinc/97/49/12/567974912.db2.gz RHHJVGXQEUKPET-TZIWHRDSSA-N 1 0 370.497 2.491 20 30 FEEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccc(N2CCO[C@@H](C)C2)nc1 ZINC000602514923 567989781 /nfs/dbraw/zinc/98/97/81/567989781.db2.gz MUTCUPBSFRNXJX-IRXDYDNUSA-N 1 0 358.486 2.495 20 30 FEEDRO C=CC[C@]1(C(=O)N2CCC(c3ncc(C(=O)OC)s3)CC2)CCC[NH2+]1 ZINC000602537730 567992443 /nfs/dbraw/zinc/99/24/43/567992443.db2.gz AGKMSOACQLWJET-GOSISDBHSA-N 1 0 363.483 2.334 20 30 FEEDRO N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)cc1 ZINC000602847299 568000484 /nfs/dbraw/zinc/00/04/84/568000484.db2.gz VZOUHDNNHJHCDL-FQEVSTJZSA-N 1 0 366.465 2.100 20 30 FEEDRO CC[N@H+](C[C@H](O)CC1(C#N)CCOCC1)[C@@H]1CCN(CC(F)(F)F)C1 ZINC000602890637 568007139 /nfs/dbraw/zinc/00/71/39/568007139.db2.gz BWIAGBFZESQTHP-HUUCEWRRSA-N 1 0 363.424 2.016 20 30 FEEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]Cc1cccc(S(=O)(=O)N(C)C)c1 ZINC000602674015 568008530 /nfs/dbraw/zinc/00/85/30/568008530.db2.gz DBWIVJIGFSZKKC-OAHLLOKOSA-N 1 0 365.499 2.125 20 30 FEEDRO CC1([NH+]2CCCC2)CCN(C[C@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000602950095 568020217 /nfs/dbraw/zinc/02/02/17/568020217.db2.gz IJPKTVRDIDVPFW-IBGZPJMESA-N 1 0 357.498 2.443 20 30 FEEDRO N#CCSc1ccccc1NC(=O)CN1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000602987874 568034050 /nfs/dbraw/zinc/03/40/50/568034050.db2.gz UJWIWGGINIQPFC-NWDGAFQWSA-N 1 0 373.400 2.343 20 30 FEEDRO Cc1nn(C)c(NC(=O)N(CCC#N)CCC[NH+](C)C)c1Br ZINC000603022976 568052714 /nfs/dbraw/zinc/05/27/14/568052714.db2.gz CQDPUBQCDLBSEF-UHFFFAOYSA-N 1 0 371.283 2.190 20 30 FEEDRO N#CCCN(C(=O)Cn1cc([C@H]2CCC[NH2+]C2)nn1)c1cccc(Cl)c1 ZINC000603175402 568067947 /nfs/dbraw/zinc/06/79/47/568067947.db2.gz HKKMFYSREHAHJQ-AWEZNQCLSA-N 1 0 372.860 2.345 20 30 FEEDRO N#Cc1ccc(OC[C@@H](O)C[NH2+]Cc2ccnc(N3CCCC3)c2)cc1 ZINC000568976446 568259968 /nfs/dbraw/zinc/25/99/68/568259968.db2.gz WCKUDAJIELXFGV-SFHVURJKSA-N 1 0 352.438 2.083 20 30 FEEDRO C[C@](CO)(C[NH2+]C[C@@H](O)COc1ccc(C#N)cc1)Cc1ccccc1 ZINC000568983326 568260914 /nfs/dbraw/zinc/26/09/14/568260914.db2.gz HOBWBZSQSXDKNJ-TZIWHRDSSA-N 1 0 354.450 2.129 20 30 FEEDRO C[C@@](CO)(C[NH2+]C[C@@H](O)COc1ccc(C#N)cc1)Cc1ccccc1 ZINC000568983322 568260926 /nfs/dbraw/zinc/26/09/26/568260926.db2.gz HOBWBZSQSXDKNJ-CTNGQTDRSA-N 1 0 354.450 2.129 20 30 FEEDRO CN(CC[NH2+]C[C@@H](O)COc1ccc(C#N)cc1)Cc1ccc(F)cc1 ZINC000569568150 568408070 /nfs/dbraw/zinc/40/80/70/568408070.db2.gz FVENKAMFZZUNFP-LJQANCHMSA-N 1 0 357.429 2.159 20 30 FEEDRO CC(C)(C)C[N@H+](CCC#N)CCC(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000735602409 598621033 /nfs/dbraw/zinc/62/10/33/598621033.db2.gz PMHRWLQVSPKNPC-UHFFFAOYSA-N 1 0 355.446 2.457 20 30 FEEDRO C=CCOc1ccccc1C[NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000735437069 599490332 /nfs/dbraw/zinc/49/03/32/599490332.db2.gz WQDAQVOHOZLISF-UHFFFAOYSA-N 1 0 361.409 2.369 20 30 FEEDRO CC(C)CC[N@H+](CCC#N)CCC(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000820076539 599640071 /nfs/dbraw/zinc/64/00/71/599640071.db2.gz LNSOSGUMAAWIIV-UHFFFAOYSA-N 1 0 355.446 2.457 20 30 FEEDRO C#Cc1ccc(C[NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)cc1 ZINC000809618161 674501212 /nfs/dbraw/zinc/50/12/12/674501212.db2.gz DDJYQKFAXIKRNI-UHFFFAOYSA-N 1 0 354.475 2.193 20 30 FEEDRO Cc1c(Cl)cnc(NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c1C#N ZINC000558981897 674522790 /nfs/dbraw/zinc/52/27/90/674522790.db2.gz QVHMMXYNVRXHIQ-MRXNPFEDSA-N 1 0 356.857 2.746 20 30 FEEDRO Cc1oc(NC(=O)C[NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)cc2)c(C#N)c1C ZINC000826342164 608464699 /nfs/dbraw/zinc/46/46/99/608464699.db2.gz ZMUOKQUSDXBNSC-NSHDSACASA-N 1 0 365.397 2.238 20 30 FEEDRO C[C@H]([NH2+]CCC(=O)Nc1cccc(-c2nn[nH]n2)c1)c1cccc(C#N)c1 ZINC000824585465 608490738 /nfs/dbraw/zinc/49/07/38/608490738.db2.gz QPDGVWBTKQWLDA-ZDUSSCGKSA-N 1 0 361.409 2.418 20 30 FEEDRO N#Cc1ccc(C[NH2+][C@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)cc1 ZINC000826385053 609413540 /nfs/dbraw/zinc/41/35/40/609413540.db2.gz VDYZXZLZICEXCA-SFHVURJKSA-N 1 0 373.420 2.024 20 30 FEEDRO N#Cc1ccc(C(=O)O[C@H]2CCCN(c3cc[nH+]c(N)n3)C2)cc1Cl ZINC000810770172 674560493 /nfs/dbraw/zinc/56/04/93/674560493.db2.gz NJDAWVIMNIUZBN-ZDUSSCGKSA-N 1 0 357.801 2.410 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1NC(=O)N[C@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 ZINC000562589246 674773385 /nfs/dbraw/zinc/77/33/85/674773385.db2.gz WJKMWWFXECLUGX-QZWWFDLISA-N 1 0 351.397 2.353 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1NC(=O)N[C@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000562589244 674773167 /nfs/dbraw/zinc/77/31/67/674773167.db2.gz WJKMWWFXECLUGX-LTIDMASMSA-N 1 0 351.397 2.353 20 30 FEEDRO C[C@@H](Cc1ccc(Br)cc1)[NH2+]C[C@@H](O)CN(C)CCC#N ZINC000563347361 674875346 /nfs/dbraw/zinc/87/53/46/674875346.db2.gz PGPVJBCKYHIRRI-XJKSGUPXSA-N 1 0 354.292 2.176 20 30 FEEDRO C#CCOc1ccc(Br)cc1C[NH2+]CCCc1cnn(C)n1 ZINC000815145010 674923669 /nfs/dbraw/zinc/92/36/69/674923669.db2.gz URCFEFUKCCBJKH-UHFFFAOYSA-N 1 0 363.259 2.312 20 30 FEEDRO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CCN1c1ncc(C#N)cc1Cl ZINC001048710821 675013483 /nfs/dbraw/zinc/01/34/83/675013483.db2.gz IXGAWHIAXGWMGC-VNQPRFMTSA-N 1 0 361.877 2.032 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3ccncc3Cl)C[C@@H]2C1 ZINC001049069320 675022292 /nfs/dbraw/zinc/02/22/92/675022292.db2.gz BHYSEFBWVDNFNY-HPFXQQBRSA-N 1 0 361.873 2.216 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3ncc(C)s3)C[C@@H]2C1 ZINC001049110835 675023199 /nfs/dbraw/zinc/02/31/99/675023199.db2.gz AWODBHLSUGLVJD-DFGXFYAUSA-N 1 0 361.511 2.323 20 30 FEEDRO C=C1CC[NH+](C[C@H]2CCCN(C(=O)CNC(=O)OC(C)(C)C)C2)CC1 ZINC000816505374 675061090 /nfs/dbraw/zinc/06/10/90/675061090.db2.gz UOGFYJJDQDKXQK-MRXNPFEDSA-N 1 0 351.491 2.402 20 30 FEEDRO C=CCN1C(=S)N=NC1c1sc(NC(=O)C[N@@H+](C)C(C)C)nc1C ZINC000063466209 670407387 /nfs/dbraw/zinc/40/73/87/670407387.db2.gz ZKLIDSNYMAVFJV-UHFFFAOYSA-N 1 0 366.516 2.463 20 30 FEEDRO CN(CCC#N)C[C@@H](O)C[NH2+][C@@H](c1cncc(Br)c1)C1CC1 ZINC000570202438 670677928 /nfs/dbraw/zinc/67/79/28/670677928.db2.gz IUPFOWGZFMWDRM-JKSUJKDBSA-N 1 0 367.291 2.091 20 30 FEEDRO CC[NH+](CC)CC[C@H](CO)NC(=O)c1cccc(C#N)c1Br ZINC000570982296 670797224 /nfs/dbraw/zinc/79/72/24/670797224.db2.gz CSLLPRTYXPDPHF-CYBMUJFWSA-N 1 0 368.275 2.143 20 30 FEEDRO C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)[NH2+]CCS(=O)(=O)c1cccc(C#N)c1 ZINC000566110045 675181751 /nfs/dbraw/zinc/18/17/51/675181751.db2.gz WVLPKKOEKUJRGU-ZACQAIPSSA-N 1 0 363.527 2.288 20 30 FEEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+]CCC[C@@H]2CCCC[C@H]2O)c1 ZINC000574323752 671226797 /nfs/dbraw/zinc/22/67/97/671226797.db2.gz ILSITTWIWYURGM-FUHWJXTLSA-N 1 0 350.484 2.253 20 30 FEEDRO CC[NH+](CC)CC[C@H](CO)NC(=O)c1ccc(Br)cc1C#N ZINC000578907127 671698092 /nfs/dbraw/zinc/69/80/92/671698092.db2.gz VCJNARKRKKWVHJ-CQSZACIVSA-N 1 0 368.275 2.143 20 30 FEEDRO C[C@H](Cc1ccccc1Br)[NH2+]C[C@H](O)CN(C)CCC#N ZINC000580423376 671805985 /nfs/dbraw/zinc/80/59/85/671805985.db2.gz QVURGYZDQMUDGR-HIFRSBDPSA-N 1 0 354.292 2.176 20 30 FEEDRO C[C@H]([NH2+]C[C@@H](O)CN(C)CCC#N)c1nc2ccccc2n1C(F)F ZINC000581006791 671854783 /nfs/dbraw/zinc/85/47/83/671854783.db2.gz QFFJZRHEJXIESQ-QWHCGFSZSA-N 1 0 351.401 2.288 20 30 FEEDRO C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H](C)C[N@@H+](CC)CCC)c1 ZINC000581283892 671881300 /nfs/dbraw/zinc/88/13/00/671881300.db2.gz UMLRGIZHAUGNQB-OAHLLOKOSA-N 1 0 367.515 2.001 20 30 FEEDRO C[C@@H]1CC[N@H+](CCNC(=O)C(=O)Nc2sc(C(C)(C)C)cc2C#N)C1 ZINC000583126176 672065676 /nfs/dbraw/zinc/06/56/76/672065676.db2.gz RBNHXQHRONNIJX-GFCCVEGCSA-N 1 0 362.499 2.314 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000583990848 672145437 /nfs/dbraw/zinc/14/54/37/672145437.db2.gz UIGLXOFFEKZMCZ-HOTGVXAUSA-N 1 0 353.532 2.238 20 30 FEEDRO CCOCCC1(CNC(=[NH2+])NC2CCN(C(=O)OCC)CC2)CCC1 ZINC000153151390 672193847 /nfs/dbraw/zinc/19/38/47/672193847.db2.gz ITMQZGDDQFEJFG-UHFFFAOYSA-N 1 0 354.495 2.109 20 30 FEEDRO C#CC[N@@H+](CCOc1ccc(S(=O)(=O)N(C)C)cc1)C1CCCC1 ZINC000155816400 672239068 /nfs/dbraw/zinc/23/90/68/672239068.db2.gz LUYONMYAZWGHCG-UHFFFAOYSA-N 1 0 350.484 2.194 20 30 FEEDRO C[NH+]=C(NCc1ncccc1C)N[C@@H]1CCN(c2ncccc2Cl)C1 ZINC000158964912 672275395 /nfs/dbraw/zinc/27/53/95/672275395.db2.gz LZIMOHGTLZQKHR-CQSZACIVSA-N 1 0 358.877 2.382 20 30 FEEDRO CCOCCCNC(=[NH2+])NCC1(C)CCN(C(=O)OC(C)(C)C)CC1 ZINC000181494360 672427351 /nfs/dbraw/zinc/42/73/51/672427351.db2.gz BZHITAVQMLJGGT-UHFFFAOYSA-N 1 0 356.511 2.355 20 30 FEEDRO C[NH+](C)C[C@@H](CO)NC(=O)c1ccccc1Sc1ccccc1C#N ZINC000588864468 672486789 /nfs/dbraw/zinc/48/67/89/672486789.db2.gz JIPLKXAJBSSGMV-HNNXBMFYSA-N 1 0 355.463 2.362 20 30 FEEDRO N#CC1(NC(=O)Cn2cc(Cl)cn2)CC[NH+](Cc2ccccc2)CC1 ZINC000588956804 672495747 /nfs/dbraw/zinc/49/57/47/672495747.db2.gz IGAYMZLBZGVBCC-UHFFFAOYSA-N 1 0 357.845 2.211 20 30 FEEDRO C[N@@H+]1C[C@H]2CCN(CCC(=O)Nc3sc4c(c3C#N)CCCC4)[C@H]2C1 ZINC000590010705 672554619 /nfs/dbraw/zinc/55/46/19/672554619.db2.gz BYSIAHYLNUKLTM-CJNGLKHVSA-N 1 0 358.511 2.463 20 30 FEEDRO COC(=O)C(C)(C)[C@@H]1CCC[N@@H+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000611320349 676031972 /nfs/dbraw/zinc/03/19/72/676031972.db2.gz HABZGKHUZSHOEM-CLCXKQKWSA-N 1 0 351.491 2.341 20 30 FEEDRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)C(=O)Nc2scc(C(C)(C)C)c2C#N)C1 ZINC000590278486 672569902 /nfs/dbraw/zinc/56/99/02/672569902.db2.gz LGEHGXVICQYBSZ-FZMZJTMJSA-N 1 0 360.483 2.018 20 30 FEEDRO CC[N@@H+]1CCN(C(=O)COc2ccc(C#N)c(Br)c2)C[C@H]1C ZINC000590684801 672601724 /nfs/dbraw/zinc/60/17/24/672601724.db2.gz SLXOKWJANFNHDY-GFCCVEGCSA-N 1 0 366.259 2.252 20 30 FEEDRO N#Cc1cc(Br)cnc1NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000590694361 672602889 /nfs/dbraw/zinc/60/28/89/672602889.db2.gz DKZBHMJTYSJHSZ-CQSZACIVSA-N 1 0 351.248 2.381 20 30 FEEDRO CC(C)CN1CCCC[C@H]1C[NH2+]CCS(=O)(=O)c1cccc(C#N)c1 ZINC000591756882 672708628 /nfs/dbraw/zinc/70/86/28/672708628.db2.gz XXGKYGALSWIIOH-SFHVURJKSA-N 1 0 363.527 2.432 20 30 FEEDRO N#CC[C@]1(O)CCN(C(=O)NCC2CC[NH+](Cc3cccs3)CC2)C1 ZINC000591936222 672723556 /nfs/dbraw/zinc/72/35/56/672723556.db2.gz UKSBARRXVLZCTB-SFHVURJKSA-N 1 0 362.499 2.020 20 30 FEEDRO N#Cc1cnn2c1NC[C@H](C[NH+]1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1)C2 ZINC000592505076 672809506 /nfs/dbraw/zinc/80/95/06/672809506.db2.gz RHUKDSLXUSQTBJ-FBIMIBRVSA-N 1 0 367.297 2.469 20 30 FEEDRO C[NH+]=C(NCC[C@@H]1CCCC[C@H]1C)NCC1CCN(S(C)(=O)=O)CC1 ZINC000261601019 672899967 /nfs/dbraw/zinc/89/99/67/672899967.db2.gz BNFRGJPWBDHLFW-WBVHZDCISA-N 1 0 372.579 2.039 20 30 FEEDRO C[NH+]=C(NC[C@@]1(C)CCOC1)N(C)Cc1cc(Br)cn1C ZINC000261656751 672900819 /nfs/dbraw/zinc/90/08/19/672900819.db2.gz APCRIWXLXSXBET-OAHLLOKOSA-N 1 0 357.296 2.221 20 30 FEEDRO CC[NH+]=C(NCc1nc(C)cs1)N1CC(=O)N(C(C)C)C(C)(C)C1 ZINC000261747382 672902757 /nfs/dbraw/zinc/90/27/57/672902757.db2.gz BWQLHNBQQFHNMJ-UHFFFAOYSA-N 1 0 351.520 2.248 20 30 FEEDRO CC[NH+]=C(NCc1nnc2n1CCC2)N1CCSC2(CCCCC2)C1 ZINC000261831836 672904174 /nfs/dbraw/zinc/90/41/74/672904174.db2.gz VODSMGMOGIFMOS-UHFFFAOYSA-N 1 0 362.547 2.442 20 30 FEEDRO C[NH+]=C(NCc1sc(C)nc1C)N1CCN([C@H](C)C(F)(F)F)CC1 ZINC000261937889 672905616 /nfs/dbraw/zinc/90/56/16/672905616.db2.gz XAGRPWLLVGSPEV-LLVKDONJSA-N 1 0 363.453 2.404 20 30 FEEDRO [NH2+]=C(NCc1cc2c(c(Br)c1)OCO2)N1CCSCC1 ZINC000261989462 672907095 /nfs/dbraw/zinc/90/70/95/672907095.db2.gz LGONIUWEMFGNNS-UHFFFAOYSA-N 1 0 358.261 2.041 20 30 FEEDRO CC[NH+]=C(NCCc1ccc(C)cc1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000262025027 672907947 /nfs/dbraw/zinc/90/79/47/672907947.db2.gz ZMHSNHNJUNZJKM-UHFFFAOYSA-N 1 0 351.516 2.012 20 30 FEEDRO CCC[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N1CC[C@H](C)C2(CCC2)C1 ZINC000262382692 672914688 /nfs/dbraw/zinc/91/46/88/672914688.db2.gz KRPFCMYYRXUSEW-HOTGVXAUSA-N 1 0 355.548 2.289 20 30 FEEDRO C[C@@H]1CN(C(=[NH2+])NCCOc2ncc(C(F)(F)F)cc2Cl)CCO1 ZINC000262446013 672916001 /nfs/dbraw/zinc/91/60/01/672916001.db2.gz IQDYKBCEQMPVBO-SECBINFHSA-N 1 0 366.771 2.168 20 30 FEEDRO C[C@@H]1CCN(C(NC[C@@H]2CCS(=O)(=O)C2)=[NH+]C2CCCC2)C[C@H]1C ZINC000262452233 672916651 /nfs/dbraw/zinc/91/66/51/672916651.db2.gz WEJOBAQSHKOAIJ-OAGGEKHMSA-N 1 0 355.548 2.287 20 30 FEEDRO C[NH+]=C(NCCS(=O)(=O)Cc1ccccc1)N1C[C@H](C)C[C@H](C)C1 ZINC000262531959 672917445 /nfs/dbraw/zinc/91/74/45/672917445.db2.gz ILAVZJQVAJSQGA-IYBDPMFKSA-N 1 0 351.516 2.155 20 30 FEEDRO CN(C)C(=O)CNC(=[NH+]C1CC1)N(C)Cc1ccc(Br)cc1 ZINC000262566010 672918063 /nfs/dbraw/zinc/91/80/63/672918063.db2.gz LJLORWKXPOMRCC-UHFFFAOYSA-N 1 0 367.291 2.077 20 30 FEEDRO C[C@H]1CN([C@@H](CNC2=[NH+]CCN2C)c2c(F)cccc2Cl)CCO1 ZINC000262690248 672919203 /nfs/dbraw/zinc/91/92/03/672919203.db2.gz ZYVWOFMFDPNKEN-WFASDCNBSA-N 1 0 354.857 2.132 20 30 FEEDRO CC[NH+]=C(NC[C@]1(N(C)C)CCSC1)N1CCC[C@@]2(CCCOC2)C1 ZINC000262804118 672921507 /nfs/dbraw/zinc/92/15/07/672921507.db2.gz RPMNAULUDSXZMI-RTBURBONSA-N 1 0 368.591 2.282 20 30 FEEDRO C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)Cc1ccc(Br)cc1C#N ZINC000593572959 672947421 /nfs/dbraw/zinc/94/74/21/672947421.db2.gz QZELZPHDPLQFNW-RYUDHWBXSA-N 1 0 350.260 2.414 20 30 FEEDRO CC(C)CCC[C@@H](C)NC(=[NH2+])NCCNS(=O)(=O)c1ccccc1 ZINC000303770633 673017502 /nfs/dbraw/zinc/01/75/02/673017502.db2.gz BZQMAPZBQWBCST-OAHLLOKOSA-N 1 0 354.520 2.084 20 30 FEEDRO [NH2+]=C(NC[C@@H](c1ccccc1Cl)N1CCOCC1)NCC1CCC1 ZINC000303869794 673018204 /nfs/dbraw/zinc/01/82/04/673018204.db2.gz BBVWODBTQHEDEL-KRWDZBQOSA-N 1 0 350.894 2.418 20 30 FEEDRO CC(C)CCC[C@@H](C)NC(=[NH2+])NCCS(=O)(=O)NCc1ccccc1 ZINC000303898558 673018395 /nfs/dbraw/zinc/01/83/95/673018395.db2.gz RBNLHCBMGAJECJ-MRXNPFEDSA-N 1 0 368.547 2.225 20 30 FEEDRO CCOC(=O)N1CCC(NC(=[NH2+])NCCOc2cccc(Cl)c2)CC1 ZINC000303890899 673018474 /nfs/dbraw/zinc/01/84/74/673018474.db2.gz QHAKPVBVRJTKEJ-UHFFFAOYSA-N 1 0 368.865 2.244 20 30 FEEDRO COC[C@@H](C)NC(=[NH2+])NCCCc1ccc(Br)cc1OC ZINC000305812130 673021856 /nfs/dbraw/zinc/02/18/56/673021856.db2.gz JVCKCRINLGFQBS-LLVKDONJSA-N 1 0 358.280 2.330 20 30 FEEDRO N#Cc1ccc(NC(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1Cl ZINC000594326950 673059010 /nfs/dbraw/zinc/05/90/10/673059010.db2.gz SNMWHQXYWKVISU-HZPDHXFCSA-N 1 0 360.845 2.283 20 30 FEEDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)N1CCN(Cc2cscn2)CC1 ZINC000328877805 673068821 /nfs/dbraw/zinc/06/88/21/673068821.db2.gz UICZULBHZRCOOZ-HNNXBMFYSA-N 1 0 351.520 2.049 20 30 FEEDRO COc1ccc(Br)c(CNC(=O)[C@@H]([NH3+])CCCCC#N)c1 ZINC000594426927 673070832 /nfs/dbraw/zinc/07/08/32/673070832.db2.gz GLROMILCAISKLO-AWEZNQCLSA-N 1 0 354.248 2.485 20 30 FEEDRO C[N@H+](CCNC(=O)c1cccc(N2CCCS2(=O)=O)c1)C1CCCC1 ZINC000329126640 673072904 /nfs/dbraw/zinc/07/29/04/673072904.db2.gz YPXDGEDILKLCPX-UHFFFAOYSA-N 1 0 365.499 2.406 20 30 FEEDRO C[C@H](NC(=O)C1CCCCC1)C(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000329607973 673080156 /nfs/dbraw/zinc/08/01/56/673080156.db2.gz MYHOMHYMQRDQMD-HOTGVXAUSA-N 1 0 351.491 2.092 20 30 FEEDRO CC(C)C(=O)N1CCC(NC(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)CC1 ZINC000329634129 673080476 /nfs/dbraw/zinc/08/04/76/673080476.db2.gz XASYCYOFQYNXJR-QGZVFWFLSA-N 1 0 350.507 2.154 20 30 FEEDRO O=C(NCc1nc(C(F)(F)F)n[nH]1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000330155797 673086480 /nfs/dbraw/zinc/08/64/80/673086480.db2.gz OFSHAGSTFPGFSU-LLVKDONJSA-N 1 0 360.384 2.188 20 30 FEEDRO N#Cc1cc(F)c(N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cc1Br ZINC000594548765 673096634 /nfs/dbraw/zinc/09/66/34/673096634.db2.gz CKLXWGSMTPECNV-GDBMZVCRSA-N 1 0 368.250 2.495 20 30 FEEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)NCC1([NH3+])CCCC1 ZINC000595238057 673212743 /nfs/dbraw/zinc/21/27/43/673212743.db2.gz MARKADFMPLWHNX-ZDUSSCGKSA-N 1 0 360.483 2.265 20 30 FEEDRO C[NH2+]C[C@H](C)NC(=O)C(=O)Nc1sc2c(c1C#N)CC[C@@H](C(C)C)C2 ZINC000595245093 673213173 /nfs/dbraw/zinc/21/31/73/673213173.db2.gz PLTMFLWQTSOLHP-NWDGAFQWSA-N 1 0 362.499 2.043 20 30 FEEDRO CC(C)[C@H]([NH2+][C@H]1CCN(c2ccc(C#N)cc2)C1=O)[C@H](O)C(F)(F)F ZINC000595482487 673256603 /nfs/dbraw/zinc/25/66/03/673256603.db2.gz ORSGMSBWJZMOIC-KKUMJFAQSA-N 1 0 355.360 2.201 20 30 FEEDRO COc1ccc([C@@H](C[NH3+])CN2CCN(c3ccsc3C#N)CC2)cc1 ZINC000595902080 673336845 /nfs/dbraw/zinc/33/68/45/673336845.db2.gz GFURDXWWFJHKAU-INIZCTEOSA-N 1 0 356.495 2.493 20 30 FEEDRO C[N@@H+](CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)C[C@H]1CC1(C)C ZINC000595910946 673337518 /nfs/dbraw/zinc/33/75/18/673337518.db2.gz UTJURRNTZBSBJD-HZPDHXFCSA-N 1 0 360.527 2.435 20 30 FEEDRO C=CC[C@]1(C(=O)N2CCC[C@@H](c3ncc(C(=O)OC)s3)C2)CCC[NH2+]1 ZINC000595992661 673346106 /nfs/dbraw/zinc/34/61/06/673346106.db2.gz HIPITSNDQPQCOI-FZKQIMNGSA-N 1 0 363.483 2.334 20 30 FEEDRO C[C@H](c1ccccc1)[C@H](O)C[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000596067784 673355525 /nfs/dbraw/zinc/35/55/25/673355525.db2.gz AMINNPKVGYPXSM-DNVCBOLYSA-N 1 0 358.463 2.086 20 30 FEEDRO CCN(CCC[NH+]1CCN(c2ncccc2C#N)CC1)CC(F)(F)F ZINC000542520508 673588293 /nfs/dbraw/zinc/58/82/93/673588293.db2.gz IGZKDEUOFCMVRH-UHFFFAOYSA-N 1 0 355.408 2.350 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)cc1C(F)(F)F ZINC000598722654 673603468 /nfs/dbraw/zinc/60/34/68/673603468.db2.gz CLEIUICMBMBPDA-BXUZGUMPSA-N 1 0 359.373 2.079 20 30 FEEDRO CC(C)(C#N)C[C@H](O)C[NH2+][C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000598724865 673603730 /nfs/dbraw/zinc/60/37/30/673603730.db2.gz RYWJBZQOOKPDMI-WFASDCNBSA-N 1 0 353.825 2.475 20 30 FEEDRO N#CCCC[C@H]([NH3+])C(=O)N1CCc2ccc(F)c(Br)c2C1 ZINC000598939490 673623797 /nfs/dbraw/zinc/62/37/97/673623797.db2.gz HYOOWNZBBZASQS-ZDUSSCGKSA-N 1 0 354.223 2.494 20 30 FEEDRO C[S@](=O)C[C@H]([NH2+]C[C@@H](O)COc1ccccc1C#N)c1ccccc1 ZINC000599356929 673663125 /nfs/dbraw/zinc/66/31/25/673663125.db2.gz OPPWXNMRSAMCAZ-UZEJHQAJSA-N 1 0 358.463 2.007 20 30 FEEDRO CC(C)COc1ncc(C(=O)NC2(C#N)CC[NH+](C)CC2)cc1Cl ZINC000544004895 673682912 /nfs/dbraw/zinc/68/29/12/673682912.db2.gz KGEMKOXIDMNBIQ-UHFFFAOYSA-N 1 0 350.850 2.488 20 30 FEEDRO C[C@H]1CC(N=Nc2ccc(S(=O)(=O)N3CCCCC3)cn2)CC[N@@H+]1C ZINC000741454416 673687554 /nfs/dbraw/zinc/68/75/54/673687554.db2.gz FDNSYJBITORTNU-AWEZNQCLSA-N 1 0 365.503 2.138 20 30 FEEDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)Nc1cc(OC)c(C#N)cc1F ZINC000599817231 673720291 /nfs/dbraw/zinc/72/02/91/673720291.db2.gz RKSAONBGLVBZIW-ZDUSSCGKSA-N 1 0 352.410 2.184 20 30 FEEDRO N#CCCSc1ccccc1NC(=O)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000599892079 673726644 /nfs/dbraw/zinc/72/66/44/673726644.db2.gz VQFPTGYGUKFTJM-HNNXBMFYSA-N 1 0 358.467 2.032 20 30 FEEDRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000599897737 673726836 /nfs/dbraw/zinc/72/68/36/673726836.db2.gz VODWMBGNRPQVKO-HZSPNIEDSA-N 1 0 360.483 2.276 20 30 FEEDRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000599895866 673726939 /nfs/dbraw/zinc/72/69/39/673726939.db2.gz FEBLJPDOCMVVSZ-MELADBBJSA-N 1 0 360.483 2.134 20 30 FEEDRO N#CC1(C[C@H](O)C[NH2+][C@H]2CCN(c3ccc(Cl)cc3F)C2=O)CC1 ZINC000600754818 673796546 /nfs/dbraw/zinc/79/65/46/673796546.db2.gz CHTAXMCQMDDUAH-JSGCOSHPSA-N 1 0 351.809 2.229 20 30 FEEDRO N#CC1(C[C@H](O)C[NH2+]C[C@H](CO)Cc2ccccc2Br)CC1 ZINC000600750391 673796604 /nfs/dbraw/zinc/79/66/04/673796604.db2.gz VQEAULIVJIYGRI-HIFRSBDPSA-N 1 0 367.287 2.244 20 30 FEEDRO CCC1([NH+](C)C)CCN(S(=O)(=O)Cc2ccc(F)cc2C#N)CC1 ZINC000601503321 673872198 /nfs/dbraw/zinc/87/21/98/673872198.db2.gz FPUAUNLUEPTDSV-UHFFFAOYSA-N 1 0 353.463 2.333 20 30 FEEDRO N#Cc1ccc(OC[C@@H](O)C[NH2+]C[C@H](CO)c2ccc(Cl)cc2)cc1 ZINC000601970497 673900633 /nfs/dbraw/zinc/90/06/33/673900633.db2.gz KFDHHDZVAJPITI-AEFFLSMTSA-N 1 0 360.841 2.317 20 30 FEEDRO N#Cc1cccc(C[NH2+]CCCNS(=O)(=O)c2ccccc2Cl)n1 ZINC000602648316 673909110 /nfs/dbraw/zinc/90/91/10/673909110.db2.gz OQSBAKMWTRSSJU-UHFFFAOYSA-N 1 0 364.858 2.065 20 30 FEEDRO C[NH+](C)C[C@@]1(O)CCCN(Cc2ccc(Br)cc2C#N)C1 ZINC000602877023 673912268 /nfs/dbraw/zinc/91/22/68/673912268.db2.gz KDJYENHAXKCMDX-INIZCTEOSA-N 1 0 352.276 2.209 20 30 FEEDRO CC(C)[C@@H](CNc1cc(C#N)c(Br)cn1)[NH+]1CCN(C)CC1 ZINC000603270556 673920747 /nfs/dbraw/zinc/92/07/47/673920747.db2.gz JYEBZBQYJKCFOW-OAHLLOKOSA-N 1 0 366.307 2.400 20 30 FEEDRO C[C@H]1CN(C(=O)c2ccc(C#N)c(Cl)c2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000548633584 673982114 /nfs/dbraw/zinc/98/21/14/673982114.db2.gz WBAKOTVNBLVYOI-KSSFIOAISA-N 1 0 360.889 2.310 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)CC[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000818602784 675227876 /nfs/dbraw/zinc/22/78/76/675227876.db2.gz FCCFFFUTYLMRDE-INIZCTEOSA-N 1 0 351.491 2.237 20 30 FEEDRO COc1ccc(CC[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)cc1F ZINC000566614986 675228937 /nfs/dbraw/zinc/22/89/37/675228937.db2.gz CJBWMOGNABHCQZ-UHFFFAOYSA-N 1 0 362.426 2.312 20 30 FEEDRO CN(CCC#N)C[C@@H](O)C[NH2+]C/C=C\c1ccc(Br)cc1 ZINC000567345486 675285836 /nfs/dbraw/zinc/28/58/36/675285836.db2.gz JUGXLUKYQIIRCU-OUMXJLHTSA-N 1 0 352.276 2.258 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)NCCC[C@H]2CCC[NH2+]2)cc1Br ZINC000567352002 675286426 /nfs/dbraw/zinc/28/64/26/675286426.db2.gz LFFWWMPJQWJWKT-GFCCVEGCSA-N 1 0 372.288 2.131 20 30 FEEDRO CCNS(=O)(=O)[C@H]1CCN(Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000567529996 675300294 /nfs/dbraw/zinc/30/02/94/675300294.db2.gz SXYJVQNZFLUIDH-ZDUSSCGKSA-N 1 0 361.389 2.091 20 30 FEEDRO C=CC1(CC(=O)N2CC[C@@H]([NH+](C)C)[C@H]2C)CN(C(=O)OC(C)(C)C)C1 ZINC000820558165 675370222 /nfs/dbraw/zinc/37/02/22/675370222.db2.gz MYLWMWLXVHMYCB-HUUCEWRRSA-N 1 0 351.491 2.351 20 30 FEEDRO C#C[C@H](NC(=O)N1CC[N@@H+](C[C@H](C)O)C[C@H]1C)c1ccc(Cl)cc1F ZINC000820749409 675384990 /nfs/dbraw/zinc/38/49/90/675384990.db2.gz AMCRRSUQDMIMBT-IGCXYCKISA-N 1 0 367.852 2.250 20 30 FEEDRO C=CCS(=O)(=O)CC[NH2+]C1CCN([C@H](C)Cc2ccccc2)CC1 ZINC000824143471 675585822 /nfs/dbraw/zinc/58/58/22/675585822.db2.gz VCYVFPCEGTWRER-QGZVFWFLSA-N 1 0 350.528 2.272 20 30 FEEDRO C=CCN1C(=S)N=NC1c1sc(NC(=O)CCCC[NH3+])nc1C ZINC000826530950 675690318 /nfs/dbraw/zinc/69/03/18/675690318.db2.gz JUMPWPJOKLPLMV-UHFFFAOYSA-N 1 0 352.489 2.252 20 30 FEEDRO C[NH+](C)CCC[C@H]1CN(c2cc(C#N)c(Br)cn2)CCO1 ZINC000603410390 675798060 /nfs/dbraw/zinc/79/80/60/675798060.db2.gz AZDDNLGYUYYMCW-ZDUSSCGKSA-N 1 0 353.264 2.263 20 30 FEEDRO CC(C)(C#N)CCCC[NH+]1CCN(c2ccccc2S(N)(=O)=O)CC1 ZINC000618308098 676330024 /nfs/dbraw/zinc/33/00/24/676330024.db2.gz OLGVAAZLUMBLJE-UHFFFAOYSA-N 1 0 364.515 2.176 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)NCC2CC[NH+](C3CC3)CC2)c(Cl)c1 ZINC000618374094 676337728 /nfs/dbraw/zinc/33/77/28/676337728.db2.gz JHRFLIKIJHLHLT-UHFFFAOYSA-N 1 0 353.875 2.364 20 30 FEEDRO C=CCOc1c(Cl)cc(CNC[C@@H](O)C[NH+]2CCCC2)cc1OC ZINC000623372839 676531541 /nfs/dbraw/zinc/53/15/41/676531541.db2.gz IVUUZDKHNJVMKA-OAHLLOKOSA-N 1 0 354.878 2.460 20 30 FEEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)CN1CC[NH2+]CC1 ZINC000637970083 677137111 /nfs/dbraw/zinc/13/71/11/677137111.db2.gz PMVNYLLIFZBYTI-UHFFFAOYSA-N 1 0 370.266 2.008 20 30 FEEDRO C=CCN1CCC([NH2+]Cc2cnn3cc(Br)cnc23)CC1 ZINC000638524825 677146092 /nfs/dbraw/zinc/14/60/92/677146092.db2.gz SQLUZWRKCUGDBB-UHFFFAOYSA-N 1 0 350.264 2.232 20 30 FEEDRO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000646847014 677291399 /nfs/dbraw/zinc/29/13/99/677291399.db2.gz YBBMSWVPOYDXSU-ABAIWWIYSA-N 1 0 358.360 2.458 20 30 FEEDRO C=CCONC(=O)N[C@@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1 ZINC000838703725 680713899 /nfs/dbraw/zinc/71/38/99/680713899.db2.gz OWONLWPEBDDMAT-AWEZNQCLSA-N 1 0 350.438 2.445 20 30 FEEDRO C[NH+](C)[C@@]1(CNC(=O)Nc2ccc(F)cc2OCC#N)CCSC1 ZINC000761677919 680728797 /nfs/dbraw/zinc/72/87/97/680728797.db2.gz ZSJHOCJIQKNHLE-MRXNPFEDSA-N 1 0 352.435 2.287 20 30 FEEDRO C=CC[C@H](CO)[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000762779917 680761469 /nfs/dbraw/zinc/76/14/69/680761469.db2.gz LUHXTPNPHXBIMF-YYIAUSFCSA-N 1 0 354.491 2.318 20 30 FEEDRO COc1nccnc1N=NCc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000763411446 680782423 /nfs/dbraw/zinc/78/24/23/680782423.db2.gz KBLAOCRRKWSQHV-UHFFFAOYSA-N 1 0 360.849 2.336 20 30 FEEDRO C=CCC1([NH2+]CC(=O)Nc2cc(S(N)(=O)=O)ccc2C)CCCC1 ZINC000661852109 678542236 /nfs/dbraw/zinc/54/22/36/678542236.db2.gz KHBBWBMHVMCGOD-UHFFFAOYSA-N 1 0 351.472 2.059 20 30 FEEDRO C=CC[C@]1(C(=O)Nc2ccc(NS(=O)(=O)CC)c(OC)c2)CCC[NH2+]1 ZINC000662519426 678633194 /nfs/dbraw/zinc/63/31/94/678633194.db2.gz QGRJIQNQNGCKMK-QGZVFWFLSA-N 1 0 367.471 2.094 20 30 FEEDRO CN([C@@H](C[NH3+])C(F)(F)F)S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000663310378 678721854 /nfs/dbraw/zinc/72/18/54/678721854.db2.gz GHABVSDOPTZXEK-VIFPVBQESA-N 1 0 368.274 2.355 20 30 FEEDRO C=CCn1nnn(CN2CC[N@H+](Cc3ccccc3)C[C@H](C)C2)c1=S ZINC000840136089 680801480 /nfs/dbraw/zinc/80/14/80/680801480.db2.gz SEWMTRCLNSKGLK-INIZCTEOSA-N 1 0 358.515 2.406 20 30 FEEDRO C=C(C[NH+](C)C)C(=O)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000764666303 680818261 /nfs/dbraw/zinc/81/82/61/680818261.db2.gz NRWYCYRNMWWARK-AWEZNQCLSA-N 1 0 356.253 2.333 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@H](C[C@H]2COCCO2)C(F)(F)F)CC1 ZINC000668370088 679170033 /nfs/dbraw/zinc/17/00/33/679170033.db2.gz MXKXDSMOSRSLPQ-GJZGRUSLSA-N 1 0 364.408 2.127 20 30 FEEDRO C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1C[C@@H](C)S[C@@H](C)C1 ZINC000669033959 679216145 /nfs/dbraw/zinc/21/61/45/679216145.db2.gz DSVLZFWZCYZCIH-QXSJWSMHSA-N 1 0 363.531 2.330 20 30 FEEDRO CS[C@@H]1CN(C(=O)c2c(C)oc(-n3cccc3)c2C#N)C[C@@H]1[NH+](C)C ZINC000765273097 680838080 /nfs/dbraw/zinc/83/80/80/680838080.db2.gz WKGFMOYLDQSVHN-LSDHHAIUSA-N 1 0 358.467 2.368 20 30 FEEDRO CCOC(=O)[C@H]1[C@H]([NH2+]CC(C)(C)CC#N)CCN1C(=O)OC(C)(C)C ZINC000840788259 680842958 /nfs/dbraw/zinc/84/29/58/680842958.db2.gz WYKNXCKHWLRXMG-ZIAGYGMSSA-N 1 0 353.463 2.457 20 30 FEEDRO FC(F)(F)COCCNN=CC1(C[NH+]2CCOCC2)CCCCC1 ZINC000765592005 680847604 /nfs/dbraw/zinc/84/76/04/680847604.db2.gz AGSOFPRVWHFQCA-UHFFFAOYSA-N 1 0 351.413 2.423 20 30 FEEDRO C#CCC[NH+]1CCC(NS(=O)(=O)c2c(C)ccc3cccnc32)CC1 ZINC000840952253 680856585 /nfs/dbraw/zinc/85/65/85/680856585.db2.gz YAHDKYZPUJSQJD-UHFFFAOYSA-N 1 0 357.479 2.309 20 30 FEEDRO C=CCNc1ncc(C(=O)N2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)s1 ZINC000747618533 679892633 /nfs/dbraw/zinc/89/26/33/679892633.db2.gz ZGVZMDAKRVYLJI-MELADBBJSA-N 1 0 350.488 2.065 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+]C[C@H]2COc3ccccc3C2)cc1 ZINC000748450108 679964673 /nfs/dbraw/zinc/96/46/73/679964673.db2.gz OTZCLBHYHJKAOC-INIZCTEOSA-N 1 0 356.447 2.173 20 30 FEEDRO C#C[C@@H](NS(=O)(=O)CC[NH+](CC)CC)c1ccc(Br)cc1 ZINC000831734372 680034596 /nfs/dbraw/zinc/03/45/96/680034596.db2.gz TXHOSQQVUCTJPX-OAHLLOKOSA-N 1 0 373.316 2.385 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2cnc(Cl)s2)C1 ZINC001018865320 680084519 /nfs/dbraw/zinc/08/45/19/680084519.db2.gz KDLDILPUOBRHFL-YUTCNCBUSA-N 1 0 355.891 2.468 20 30 FEEDRO C=CCc1cc(OCC)cc(C[N@@H+]2CCC[C@@H]2CS(=O)(=O)NC)c1O ZINC000749970042 680091707 /nfs/dbraw/zinc/09/17/07/680091707.db2.gz YHQIVFAAFQUUQP-MRXNPFEDSA-N 1 0 368.499 2.033 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3ccnc(Cl)c3)C[C@H]21 ZINC000978714750 680179207 /nfs/dbraw/zinc/17/92/07/680179207.db2.gz GOPBEHKCDJQQGC-MTSZKFMLSA-N 1 0 361.873 2.120 20 30 FEEDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)c1cccc(F)c1C#N ZINC000751499294 680183539 /nfs/dbraw/zinc/18/35/39/680183539.db2.gz WYXLQTAOUSIYSB-HZSPNIEDSA-N 1 0 353.463 2.342 20 30 FEEDRO C=C(Cl)C(C)(C)C(=O)N1C[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)[C@H](C)C1 ZINC000994247761 680230085 /nfs/dbraw/zinc/23/00/85/680230085.db2.gz XHBGLJYYJNFEFC-BMFZPTHFSA-N 1 0 369.937 2.460 20 30 FEEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)CCc1nc2cc(C(F)(F)F)ccc2s1 ZINC000834485654 680233437 /nfs/dbraw/zinc/23/34/37/680233437.db2.gz ZWJDYVFHOZNTSI-CABZTGNLSA-N 1 0 368.384 2.475 20 30 FEEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1 ZINC000834494674 680234919 /nfs/dbraw/zinc/23/49/19/680234919.db2.gz OUYSZINDKDGQGO-NOZJJQNGSA-N 1 0 350.209 2.020 20 30 FEEDRO CN(Cc1cccs1)c1ccc(C=[NH+]N[C@H]2CCS(=O)(=O)C2)cc1 ZINC000834911678 680281584 /nfs/dbraw/zinc/28/15/84/680281584.db2.gz FVTGNXQKIWJPMH-HNNXBMFYSA-N 1 0 363.508 2.495 20 30 FEEDRO N#Cc1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3CCO[C@H]3C3CC3)C2)s1 ZINC000984386180 680350030 /nfs/dbraw/zinc/35/00/30/680350030.db2.gz YNYCPUOBIPUEHO-FOZNTRSISA-N 1 0 359.495 2.419 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC(C[NH2+]C[C@@H]2CCCOC2)CC1 ZINC000998149193 680377761 /nfs/dbraw/zinc/37/77/61/680377761.db2.gz VRZJCJYBHKYKRE-FHWLQOOXSA-N 1 0 350.503 2.222 20 30 FEEDRO CC[NH+](CC)[C@H](CNc1cccc(S(N)(=O)=O)c1C#N)c1ccco1 ZINC000754990824 680392828 /nfs/dbraw/zinc/39/28/28/680392828.db2.gz OYRCJQHHLJAYNL-OAHLLOKOSA-N 1 0 362.455 2.294 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H](C[N@@H+](C)Cc2snnc2C)C1 ZINC001029864953 680394695 /nfs/dbraw/zinc/39/46/95/680394695.db2.gz UMQYQRPQSCYMJT-ZOBUZTSGSA-N 1 0 364.515 2.108 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2csnc2OC)C1 ZINC000999183587 680396906 /nfs/dbraw/zinc/39/69/06/680396906.db2.gz VPUXRFQNEZAAJI-OAGGEKHMSA-N 1 0 365.499 2.214 20 30 FEEDRO CC[C@@H]1[C@@H](C(=O)NC2CN(CC#Cc3ccccc3Cl)C2)CC[N@@H+]1C ZINC001030339167 680398071 /nfs/dbraw/zinc/39/80/71/680398071.db2.gz JOLIZTOGJKGHSK-PKOBYXMFSA-N 1 0 359.901 2.222 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2cc(OC)ns2)C1 ZINC000999196350 680398838 /nfs/dbraw/zinc/39/88/38/680398838.db2.gz XNJZLEWQZDNAGC-IMJJTQAJSA-N 1 0 365.499 2.214 20 30 FEEDRO C=C(Br)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2cnn(C)c2)C1 ZINC001000261422 680425585 /nfs/dbraw/zinc/42/55/85/680425585.db2.gz MMXKJAOIJYSBGA-SOUVJXGZSA-N 1 0 367.291 2.013 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC[C@@H]2CCOC2)CC1 ZINC001034648479 680437194 /nfs/dbraw/zinc/43/71/94/680437194.db2.gz IQYAPYDYSQFZPO-NNIGNNQHSA-N 1 0 350.503 2.411 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2nncs2)CC1 ZINC001034755076 680440208 /nfs/dbraw/zinc/44/02/08/680440208.db2.gz UUISEWAZCMULQZ-YXWQFLTLSA-N 1 0 350.488 2.036 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1C[N@H+](CCC2CCCC2)CCO1 ZINC001035369815 680444482 /nfs/dbraw/zinc/44/44/82/680444482.db2.gz ARPWVVGXBWNHKI-OTWHNJEPSA-N 1 0 350.503 2.365 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N[C@H](C)[C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000836317620 680450100 /nfs/dbraw/zinc/45/01/00/680450100.db2.gz GFDHUPNVUBZBMK-ZIAGYGMSSA-N 1 0 354.495 2.238 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC2(C1)CC[NH+](C[C@H](CC)OC)CC2 ZINC001040856518 680491530 /nfs/dbraw/zinc/49/15/30/680491530.db2.gz UDPXYNMIPPAKHG-KSZLIROESA-N 1 0 350.503 2.317 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)C(C)(C)CNC(=O)OC(C)(C)C)CC1 ZINC000756942540 680506173 /nfs/dbraw/zinc/50/61/73/680506173.db2.gz OWRSKAFOQDCJGB-UHFFFAOYSA-N 1 0 351.491 2.141 20 30 FEEDRO CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(c2snc(C)c2C#N)C[C@H]1C ZINC001042008319 680518445 /nfs/dbraw/zinc/51/84/45/680518445.db2.gz UEGQMXBOXGZZRT-DAXOMENPSA-N 1 0 361.515 2.139 20 30 FEEDRO C=C(C[NH+](C)C)C(=O)NC[C@@H](CO)Cc1cccc(Br)c1C ZINC000837066254 680547386 /nfs/dbraw/zinc/54/73/86/680547386.db2.gz PVMZYQPECOCSGE-AWEZNQCLSA-N 1 0 369.303 2.143 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=S)NC[C@H]1CCCCO1 ZINC000758192366 680560668 /nfs/dbraw/zinc/56/06/68/680560668.db2.gz ONHAWFCNKXLPHF-GOSISDBHSA-N 1 0 360.527 2.365 20 30 FEEDRO C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1Nc1ncc(C#N)cc1Cl ZINC001043359904 680577523 /nfs/dbraw/zinc/57/75/23/680577523.db2.gz YSBNOYIOKTTZDD-HFBAOOFYSA-N 1 0 361.877 2.206 20 30 FEEDRO Cc1nsc(N[C@@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@H]2C)c1C#N ZINC001043513000 680585312 /nfs/dbraw/zinc/58/53/12/680585312.db2.gz GGNXDUSQNJIXCC-IUODEOHRSA-N 1 0 361.515 2.314 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)C1C[NH+](CC[C@@H]2CCCCO2)C1 ZINC001044025806 680605982 /nfs/dbraw/zinc/60/59/82/680605982.db2.gz GNABAAHMJJSKKZ-FHWLQOOXSA-N 1 0 350.503 2.460 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)C1C[NH+](CC[C@H]2CCCCO2)C1 ZINC001044025807 680606182 /nfs/dbraw/zinc/60/61/82/680606182.db2.gz GNABAAHMJJSKKZ-QYZOEREBSA-N 1 0 350.503 2.460 20 30 FEEDRO C#CCNC(=S)C(C(=O)c1ccc(CC)cc1)[n+]1cccc(CO)c1 ZINC000759054335 680624063 /nfs/dbraw/zinc/62/40/63/680624063.db2.gz KQFKVAASGBEXGA-UHFFFAOYSA-O 1 0 353.467 2.463 20 30 FEEDRO C=CCC[NH+]1CCC2(CO[C@@H](CNC(=O)[C@H]3OCC[C@H]3CC)C2)CC1 ZINC001045672988 680637768 /nfs/dbraw/zinc/63/77/68/680637768.db2.gz MJLXJSJJLGMLPL-KURKYZTESA-N 1 0 350.503 2.365 20 30 FEEDRO CC[C@@H]1[C@@H](C(=O)N[C@@]2(C)CCN(Cc3ccc(C#N)s3)C2)CC[N@@H+]1C ZINC001046330994 680647316 /nfs/dbraw/zinc/64/73/16/680647316.db2.gz ZBAAWNISRKKGGG-SCTDSRPQSA-N 1 0 360.527 2.431 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@H]1C[N@H+](CC2CCCCC2)C[C@@H]1O ZINC001047385313 680661939 /nfs/dbraw/zinc/66/19/39/680661939.db2.gz HERGKDKSUCEWHC-XWSJACJDSA-N 1 0 350.503 2.051 20 30 FEEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)Nc1cc(F)c(Br)c(Cl)c1 ZINC000841239002 680870522 /nfs/dbraw/zinc/87/05/22/680870522.db2.gz ZYLCRFROGVONEB-WKEGUHRASA-N 1 0 361.602 2.475 20 30 FEEDRO CC(C)(C)[NH+]=C(NCCC(=O)NC1CCCCC1)NC[C@@H]1CCCO1 ZINC000912508959 685388588 /nfs/dbraw/zinc/38/85/88/685388588.db2.gz UDXTUOKCNSUONG-INIZCTEOSA-N 1 0 352.523 2.338 20 30 FEEDRO N#Cc1ccc(C[N@H+]2CC[C@@H]3[C@H]2CCCN3C(=O)[C@]23C[C@H]2COC3)s1 ZINC001049492401 681033381 /nfs/dbraw/zinc/03/33/81/681033381.db2.gz UNQNKYYFNPWQSM-YUFWVBKYSA-N 1 0 357.479 2.222 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC2(C1)CC[NH+](C[C@@H](CC)OC)CC2 ZINC001050696244 681054531 /nfs/dbraw/zinc/05/45/31/681054531.db2.gz VYQFGWHFSXQRLC-SQNIBIBYSA-N 1 0 350.503 2.317 20 30 FEEDRO C=C(C)CNC(=S)C(C(=O)c1cn(C)nn1)[n+]1ccc(CCC)cc1 ZINC000844600966 681068500 /nfs/dbraw/zinc/06/85/00/681068500.db2.gz APYDFCYRBATBJK-UHFFFAOYSA-O 1 0 358.491 2.432 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCO[C@@H](C[NH2+]Cc2ccsc2)C1 ZINC001051867940 681070546 /nfs/dbraw/zinc/07/05/46/681070546.db2.gz QKXMMIIZRXDCGG-ULQDDVLXSA-N 1 0 350.484 2.046 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2snnc2C)CC1 ZINC001052389684 681076353 /nfs/dbraw/zinc/07/63/53/681076353.db2.gz YCWDCGGEOUREEY-XHSDSOJGSA-N 1 0 364.515 2.298 20 30 FEEDRO C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1CNc1nc(C#N)c(Cl)s1 ZINC001053653741 681102641 /nfs/dbraw/zinc/10/26/41/681102641.db2.gz WUBXXALVGQHHKJ-NQBHXWOUSA-N 1 0 367.906 2.269 20 30 FEEDRO Cc1nsc(NC[C@@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)C[C@H]2C)c1C#N ZINC001054426857 681108797 /nfs/dbraw/zinc/10/87/97/681108797.db2.gz XHEXCRUZGRLDKM-BPLDGKMQSA-N 1 0 361.515 2.171 20 30 FEEDRO C=C[C@@H](C)ONC(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000845636384 681142153 /nfs/dbraw/zinc/14/21/53/681142153.db2.gz OBSDLZYWOVSRFN-CQSZACIVSA-N 1 0 350.438 2.273 20 30 FEEDRO C[C@@H]1[C@H](C(=O)N2CC[C@@H](Nc3nc(Cl)c(C#N)s3)C2)CC[N@@H+]1C ZINC001056801894 681156565 /nfs/dbraw/zinc/15/65/65/681156565.db2.gz PZOJDGKTONWXKK-GMTAPVOTSA-N 1 0 353.879 2.021 20 30 FEEDRO C#C[C@@H](C)N(C)C(=O)C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000845950210 681164649 /nfs/dbraw/zinc/16/46/49/681164649.db2.gz FNSVTXFMBWSPRM-OAHLLOKOSA-N 1 0 359.495 2.293 20 30 FEEDRO C[NH+]1CCC2(CCN2C(=O)Nc2ccc(Br)c(C#N)n2)CC1 ZINC000932158533 681185153 /nfs/dbraw/zinc/18/51/53/681185153.db2.gz KLMBPHYKUSVCKI-UHFFFAOYSA-N 1 0 364.247 2.418 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](Cc3cscn3)C[C@H]2CC1 ZINC000946788028 681260966 /nfs/dbraw/zinc/26/09/66/681260966.db2.gz KNYHCZLMHQQSNG-ATLSCFEFSA-N 1 0 361.511 2.405 20 30 FEEDRO COc1ccc(-c2nc(C)c(C(=O)N[C@H]3C[NH2+]C[C@@H]3C#N)s2)c(F)c1 ZINC000846678400 681275166 /nfs/dbraw/zinc/27/51/66/681275166.db2.gz SSDMNCXFSZYCIR-HZMBPMFUSA-N 1 0 360.414 2.108 20 30 FEEDRO C=C(C)[C@H](CO)[NH+]1CCC2(CO[C@@H](CNC(=O)OC(C)(C)C)C2)CC1 ZINC000932681059 681285791 /nfs/dbraw/zinc/28/57/91/681285791.db2.gz WQNKRORNDRZJLQ-CVEARBPZSA-N 1 0 354.491 2.319 20 30 FEEDRO COC1CC[NH+](C(C)(C)CNC(=O)N[C@H](CC#N)C(F)(F)F)CC1 ZINC000932919102 681328072 /nfs/dbraw/zinc/32/80/72/681328072.db2.gz NJYIQAQRZOXDHZ-GFCCVEGCSA-N 1 0 350.385 2.020 20 30 FEEDRO C=CCN1CC[C@@H]([NH2+][C@](C)(CO)c2cccc(Br)c2)C1=O ZINC000934493720 681578324 /nfs/dbraw/zinc/57/83/24/681578324.db2.gz DDALQLTZJILPQT-GDBMZVCRSA-N 1 0 353.260 2.033 20 30 FEEDRO C=CCCC[N@@H+](CC)CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl ZINC000934644389 681605368 /nfs/dbraw/zinc/60/53/68/681605368.db2.gz BNRPRUPTWVPHAI-UHFFFAOYSA-N 1 0 359.879 2.214 20 30 FEEDRO C=CCCC[N@@H+](CC)[C@H](C)C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000934648419 681605962 /nfs/dbraw/zinc/60/59/62/681605962.db2.gz OMFVBBZGOONKRZ-LSDHHAIUSA-N 1 0 367.515 2.188 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC2(CC1)C[N@H+](CCCC)CCO2 ZINC000949370591 681636296 /nfs/dbraw/zinc/63/62/96/681636296.db2.gz ZYXWGEHIJLSCMM-MSOLQXFVSA-N 1 0 350.503 2.461 20 30 FEEDRO C[NH+]=C(NCc1ccco1)NCc1cc2c(cc1OC(F)F)OCO2 ZINC000848995675 681647284 /nfs/dbraw/zinc/64/72/84/681647284.db2.gz ATJLGZVETFUKDH-UHFFFAOYSA-N 1 0 353.325 2.475 20 30 FEEDRO CN(C)C(NCc1ccc(S(C)(=O)=O)s1)=[NH+]Cc1ccccc1 ZINC000849088572 681651467 /nfs/dbraw/zinc/65/14/67/681651467.db2.gz NEUVWNFQDVLJCM-UHFFFAOYSA-N 1 0 351.497 2.359 20 30 FEEDRO C=C(Br)CNC(=O)[C@H]1CC[N@@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849512129 681755564 /nfs/dbraw/zinc/75/55/64/681755564.db2.gz YRPCVYFGWNYREO-GJZGRUSLSA-N 1 0 369.307 2.259 20 30 FEEDRO C[NH+](C)CC#CCNC(=O)[C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC000913517761 685479228 /nfs/dbraw/zinc/47/92/28/685479228.db2.gz OQHNDWANENIZCC-CYBMUJFWSA-N 1 0 368.264 2.028 20 30 FEEDRO C=C(Cl)C(C)(C)C(=O)N1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC000939880606 682011487 /nfs/dbraw/zinc/01/14/87/682011487.db2.gz SZUUSEPTVJGWDM-IUODEOHRSA-N 1 0 355.910 2.070 20 30 FEEDRO C=C(C)C[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3OCCO[C@H]3C)CC2)C1 ZINC000961376961 682090911 /nfs/dbraw/zinc/09/09/11/682090911.db2.gz ULGXFVDXUQJXPU-UHOSZYNNSA-N 1 0 350.503 2.317 20 30 FEEDRO C=C(Cl)C(C)(C)C(=O)N1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000941161952 682108812 /nfs/dbraw/zinc/10/88/12/682108812.db2.gz JNXSCSLLYWHXKL-UKRRQHHQSA-N 1 0 355.910 2.166 20 30 FEEDRO COc1ccnc(N=NCc2c(Cl)cccc2N2CC[NH+](C)CC2)n1 ZINC000915962015 685519922 /nfs/dbraw/zinc/51/99/22/685519922.db2.gz LXDFCWZRINTUMS-UHFFFAOYSA-N 1 0 360.849 2.336 20 30 FEEDRO C#CCOCCNC(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000784399829 682222902 /nfs/dbraw/zinc/22/29/02/682222902.db2.gz DRWUIJBGFUCULR-WMLDXEAASA-N 1 0 367.852 2.421 20 30 FEEDRO CC[NH+](CC)[C@H](CNc1cccc(S(N)(=O)=O)c1C#N)CC(C)C ZINC000784557872 682237472 /nfs/dbraw/zinc/23/74/72/682237472.db2.gz PKSYJXQMWWDUOV-AWEZNQCLSA-N 1 0 352.504 2.374 20 30 FEEDRO C[N@H+]1C[C@]2(C)CN(S(=O)(=O)c3cc(C#N)ccc3Cl)C[C@]2(C)C1 ZINC000918359601 685538769 /nfs/dbraw/zinc/53/87/69/685538769.db2.gz FAYKWEJERKOZKI-IYBDPMFKSA-N 1 0 353.875 2.174 20 30 FEEDRO C[C@@H](CNC(=O)C#CC1CC[NH2+]CC1)Oc1ccc(Br)cc1 ZINC000852847022 682349813 /nfs/dbraw/zinc/34/98/13/682349813.db2.gz IOLSGYQZLKDCIS-ZDUSSCGKSA-N 1 0 365.271 2.336 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@]2(C1)C[N@H+](CCC(C)C)CCO2 ZINC000972391870 682412699 /nfs/dbraw/zinc/41/26/99/682412699.db2.gz DOIFUWGOLODEHQ-HBFSDRIKSA-N 1 0 350.503 2.317 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@]2(C1)C[N@H+](CCC(C)C)CCO2 ZINC000972597998 682425856 /nfs/dbraw/zinc/42/58/56/682425856.db2.gz YEEVNTWFCPWEPR-CMKODMSKSA-N 1 0 350.503 2.317 20 30 FEEDRO CS(=O)(=O)c1ccccc1N=NC1CCOC[C@H]1C[NH+]1CCCCC1 ZINC000787155626 682437880 /nfs/dbraw/zinc/43/78/80/682437880.db2.gz ROJYNPMSDUMHTI-OAHLLOKOSA-N 1 0 365.499 2.380 20 30 FEEDRO COC(=O)CC[NH+]1CCC(=NNC(=S)N[C@@H]2CCCC[C@H]2C)CC1 ZINC000788701237 682551994 /nfs/dbraw/zinc/55/19/94/682551994.db2.gz YNZPCVDVNRLDHB-UKRRQHHQSA-N 1 0 354.520 2.044 20 30 FEEDRO C=C[C@H](O)C(=O)N(Cc1ccccc1Br)C1CC[NH+](C)CC1 ZINC000854502988 682559289 /nfs/dbraw/zinc/55/92/89/682559289.db2.gz CXUWLJOAFKYOBO-INIZCTEOSA-N 1 0 367.287 2.419 20 30 FEEDRO C#CCN(CC(=O)N(C)C(C)(C)C[NH+]1CCCC1)C(=O)OC(C)(C)C ZINC000854958930 682614848 /nfs/dbraw/zinc/61/48/48/682614848.db2.gz WVFZQMKJIXIUQQ-UHFFFAOYSA-N 1 0 351.491 2.190 20 30 FEEDRO C=CC[C@@]1(C(=O)N2CCC[N@@H+](C)CC2)CCCN1C(=O)OC(C)(C)C ZINC000790110055 682656348 /nfs/dbraw/zinc/65/63/48/682656348.db2.gz CPNDHZTVTJWKTB-IBGZPJMESA-N 1 0 351.491 2.496 20 30 FEEDRO CCC(CC)[C@@H](CNS(=O)(=O)Cc1ccc(C#N)cc1F)[NH+](C)C ZINC000790880749 682709789 /nfs/dbraw/zinc/70/97/89/682709789.db2.gz PRYZTOXKGORBPR-QGZVFWFLSA-N 1 0 355.479 2.483 20 30 FEEDRO C=C(C[NH+](C)C)C(=O)N[C@@H](CC(=O)OC)c1ccc(Br)cc1 ZINC000791310585 682734001 /nfs/dbraw/zinc/73/40/01/682734001.db2.gz DJHAXCWBTXIEBG-AWEZNQCLSA-N 1 0 369.259 2.287 20 30 FEEDRO N#Cc1ccc(O[C@H]2CCN(CCS(=O)(=O)C3CCCCC3)C2)nc1 ZINC000856744858 682803626 /nfs/dbraw/zinc/80/36/26/682803626.db2.gz WPAKRAWOIZSWTK-INIZCTEOSA-N 1 0 363.483 2.154 20 30 FEEDRO CCCCCCCNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000858112918 682935160 /nfs/dbraw/zinc/93/51/60/682935160.db2.gz BPEAYMVCPKFQFC-ALOPSCKCSA-N 1 0 352.523 2.340 20 30 FEEDRO C#CC[N@H+]1CCC[C@@H]1COC(=O)[C@@H]1N(C(=O)OC(C)(C)C)CC1(C)C ZINC000796690681 683186323 /nfs/dbraw/zinc/18/63/23/683186323.db2.gz VKXCGKPGAJKWMS-CABCVRRESA-N 1 0 350.459 2.273 20 30 FEEDRO C[C@@H]([NH2+]C[C@H]1CCCCN1S(C)(=O)=O)c1ccc(OCC#N)cc1 ZINC000797097061 683222157 /nfs/dbraw/zinc/22/21/57/683222157.db2.gz UHFWMMIABPMMQQ-GDBMZVCRSA-N 1 0 351.472 2.054 20 30 FEEDRO C#CC[N@H+]1CCC[C@H]1COC(=O)Cc1ccc(OC)c(OC(F)F)c1 ZINC000860529672 683256073 /nfs/dbraw/zinc/25/60/73/683256073.db2.gz KDVGWSNZSMJBRU-AWEZNQCLSA-N 1 0 353.365 2.480 20 30 FEEDRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000919842036 683302586 /nfs/dbraw/zinc/30/25/86/683302586.db2.gz KRZYFIWWVWZZRI-QWHCGFSZSA-N 1 0 373.400 2.434 20 30 FEEDRO C=CCN1CC[C@@H]([N@H+](C)C[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)C1=O ZINC000798956992 683408495 /nfs/dbraw/zinc/40/84/95/683408495.db2.gz TXCXHWYLFOSWIP-DNVCBOLYSA-N 1 0 351.491 2.352 20 30 FEEDRO C[NH+](C)CC[C@H](NS(=O)(=O)c1ccccc1CC#N)c1cccnc1 ZINC000921479662 683481206 /nfs/dbraw/zinc/48/12/06/683481206.db2.gz PBCFMOMNHAWQEU-KRWDZBQOSA-N 1 0 358.467 2.119 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)[C@H](C)N(CCC)C(=O)OC(C)(C)C)CC1 ZINC000928651664 683481579 /nfs/dbraw/zinc/48/15/79/683481579.db2.gz ZHEBINNUSRNXAZ-HNNXBMFYSA-N 1 0 351.491 2.236 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)c2cc3c(C(F)F)nn(C)c3s2)CC1 ZINC000928653597 683482009 /nfs/dbraw/zinc/48/20/09/683482009.db2.gz RVTDXPVJYPEGLC-UHFFFAOYSA-N 1 0 352.410 2.400 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)[C@@](C)(O)c2cccc(C(F)(F)F)c2)CC1 ZINC000928655924 683483063 /nfs/dbraw/zinc/48/30/63/683483063.db2.gz DENIPPZJSUXFLI-KRWDZBQOSA-N 1 0 354.372 2.127 20 30 FEEDRO N#Cc1ccc(Br)c(CNCCC[NH+]2CCC(O)CC2)c1 ZINC000921585914 683510861 /nfs/dbraw/zinc/51/08/61/683510861.db2.gz ICKFPXBVPFSQBZ-UHFFFAOYSA-N 1 0 352.276 2.257 20 30 FEEDRO CC1([NH+]2CCC2)CCC(NS(=O)(=O)c2ccc(F)c(C#N)c2)CC1 ZINC000921721583 683557049 /nfs/dbraw/zinc/55/70/49/683557049.db2.gz DXAFCJDLAOCBAL-UHFFFAOYSA-N 1 0 351.447 2.383 20 30 FEEDRO C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000922022766 683638803 /nfs/dbraw/zinc/63/88/03/683638803.db2.gz ADYHWZVPHSVCKK-UHFFFAOYSA-N 1 0 362.282 2.107 20 30 FEEDRO CC(C)CNC(=O)c1ccc(NC(=O)NCC#CC[NH+](C)C)cc1Cl ZINC000929852816 683646921 /nfs/dbraw/zinc/64/69/21/683646921.db2.gz KSWLZHPJSQAPCP-UHFFFAOYSA-N 1 0 364.877 2.412 20 30 FEEDRO Cc1cc(C#N)cc(C)c1C[NH2+]C[C@H]1CS(=O)(=O)c2ccccc2O1 ZINC000922208796 683679800 /nfs/dbraw/zinc/67/98/00/683679800.db2.gz VLJBJPCXHBBNAX-INIZCTEOSA-N 1 0 356.447 2.500 20 30 FEEDRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)Nc3ccc(C#N)cc3Cl)CC2)C1 ZINC000930433854 683731898 /nfs/dbraw/zinc/73/18/98/683731898.db2.gz DYHSDFFRJIDGMI-OAHLLOKOSA-N 1 0 361.877 2.455 20 30 FEEDRO N#Cc1ccccc1OC[C@H](O)C[NH2+]C[C@@H](O)c1cc(F)cc(Cl)c1 ZINC000863562550 683742728 /nfs/dbraw/zinc/74/27/28/683742728.db2.gz KZTDALSJVCWPAN-IAGOWNOFSA-N 1 0 364.804 2.414 20 30 FEEDRO C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000864940453 683911708 /nfs/dbraw/zinc/91/17/08/683911708.db2.gz UOJJPXOXHXFZIL-KBPBESRZSA-N 1 0 359.898 2.479 20 30 FEEDRO C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000865007107 683921988 /nfs/dbraw/zinc/92/19/88/683921988.db2.gz NACYAZOKESTFCR-GXTWGEPZSA-N 1 0 357.882 2.375 20 30 FEEDRO C=C(Cl)C[C@@H]1NC(=O)N(C[C@H](C(CC)CC)[NH+]2CCOCC2)C1=O ZINC000865297883 683963075 /nfs/dbraw/zinc/96/30/75/683963075.db2.gz FKFXKXBQSBFTQU-LSDHHAIUSA-N 1 0 357.882 2.186 20 30 FEEDRO CN(C)c1ccc(C#N)cc1C[NH2+]Cc1ccccc1CS(C)(=O)=O ZINC000865483512 683987953 /nfs/dbraw/zinc/98/79/53/683987953.db2.gz KMWZKZBDWTWRLG-UHFFFAOYSA-N 1 0 357.479 2.459 20 30 FEEDRO C=CCOc1c(Br)cc(C[NH2+]C[C@H](O)[C@H](C)O)cc1OCC ZINC000865741816 684021846 /nfs/dbraw/zinc/02/18/46/684021846.db2.gz SUDIRVBANHSZPU-FZMZJTMJSA-N 1 0 374.275 2.244 20 30 FEEDRO CC1(C)CC(=O)NCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000931204870 684240439 /nfs/dbraw/zinc/24/04/39/684240439.db2.gz RTXYEYSPOVOPEE-UHFFFAOYSA-N 1 0 360.483 2.038 20 30 FEEDRO C[NH+]1CCC2(CCN(S(=O)(=O)c3ccc(F)c(C#N)c3)CC2)CC1 ZINC000867618317 684333076 /nfs/dbraw/zinc/33/30/76/684333076.db2.gz CWMPGGQDHBEZMU-UHFFFAOYSA-N 1 0 351.447 2.194 20 30 FEEDRO C[NH+]1CCC2(CCN(S(=O)(=O)c3cc(F)cc(C#N)c3)CC2)CC1 ZINC000867619767 684333747 /nfs/dbraw/zinc/33/37/47/684333747.db2.gz KDAWFZUHGRNFAZ-UHFFFAOYSA-N 1 0 351.447 2.194 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2CCC([C@H]3CCC[NH2+]CC3)CC2)cc1F ZINC000923702633 684335483 /nfs/dbraw/zinc/33/54/83/684335483.db2.gz NZYUYPAHWNAGDC-AWEZNQCLSA-N 1 0 365.474 2.488 20 30 FEEDRO N#CC1(C[C@@H](O)C[N@@H+]2CC[C@]3(CC(F)(F)C3(F)F)C2)CCOCC1 ZINC000931908765 684368063 /nfs/dbraw/zinc/36/80/63/684368063.db2.gz BWAVUCBSYVBIFW-OCCSQVGLSA-N 1 0 350.356 2.424 20 30 FEEDRO N#CC1(C[C@@H](O)C[N@@H+]2CC[C@@]3(CC(F)(F)C3(F)F)C2)CCOCC1 ZINC000931908766 684368142 /nfs/dbraw/zinc/36/81/42/684368142.db2.gz BWAVUCBSYVBIFW-TZMCWYRMSA-N 1 0 350.356 2.424 20 30 FEEDRO C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H]2C[N@@H+](C)C[C@@H]21 ZINC000868521134 684505444 /nfs/dbraw/zinc/50/54/44/684505444.db2.gz QEOLRYKUYKZTLB-RDBSUJKOSA-N 1 0 357.882 2.185 20 30 FEEDRO C#CC[N@H+](C)CCCN1C(=O)N[C@H](c2ccc(C(F)(F)F)cc2)C1=O ZINC000925312118 684548942 /nfs/dbraw/zinc/54/89/42/684548942.db2.gz GMAPNZWWHZTNLM-CQSZACIVSA-N 1 0 353.344 2.253 20 30 FEEDRO CN(C)c1ccc(C(N)=[NH+]OCc2cn(C)nc2Br)cc1 ZINC000871727192 684849553 /nfs/dbraw/zinc/84/95/53/684849553.db2.gz ARKNMGYEIDCDLW-UHFFFAOYSA-N 1 0 352.236 2.086 20 30 FEEDRO C#C[C@H]1CC[C@H]([NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)CC1 ZINC000873197864 685094134 /nfs/dbraw/zinc/09/41/34/685094134.db2.gz GVRTZGUBPFJMRF-AULYBMBSSA-N 1 0 371.300 2.378 20 30 FEEDRO C[NH+](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C#N)c(F)c1 ZINC000875741412 686074662 /nfs/dbraw/zinc/07/46/62/686074662.db2.gz BKYSLDSOWBFAOH-AWEZNQCLSA-N 1 0 350.394 2.091 20 30 FEEDRO C#CC[C@@H](COC)NC(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1 ZINC000875920951 686104137 /nfs/dbraw/zinc/10/41/37/686104137.db2.gz CPTJSZKURGRJSO-HNNXBMFYSA-N 1 0 353.413 2.076 20 30 FEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1ccc(C(=O)N2CCOCC2)c(Cl)c1 ZINC000876583614 686224469 /nfs/dbraw/zinc/22/44/69/686224469.db2.gz NOJFCDMMSOWIMX-CQSZACIVSA-N 1 0 372.252 2.221 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1 ZINC000876728069 686254342 /nfs/dbraw/zinc/25/43/42/686254342.db2.gz XIZBQSGFOXICQL-KGLIPLIRSA-N 1 0 350.850 2.037 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N1CCN([C@H](C)c2cccc(OC)c2)CC1 ZINC000876755771 686261615 /nfs/dbraw/zinc/26/16/15/686261615.db2.gz WPCOFCSUYCNAAQ-PBHICJAKSA-N 1 0 351.878 2.370 20 30 FEEDRO CCSc1ccc(CC(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)c(Br)c1 ZINC000876802244 686271364 /nfs/dbraw/zinc/27/13/64/686271364.db2.gz NIZDOGHXWRQDEW-BXUZGUMPSA-N 1 0 368.300 2.331 20 30 FEEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)c1cc(-c2ccc(Cl)cc2Cl)on1 ZINC000876801797 686271607 /nfs/dbraw/zinc/27/16/07/686271607.db2.gz IRTRDCCHNAXEDC-ISVAXAHUSA-N 1 0 351.193 2.490 20 30 FEEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)C1(c2cc(Cl)cc(Br)c2)CC1 ZINC000876803209 686272438 /nfs/dbraw/zinc/27/24/38/686272438.db2.gz VMNUGKOEQVPEMP-RNCFNFMXSA-N 1 0 368.662 2.362 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000876873667 686285459 /nfs/dbraw/zinc/28/54/59/686285459.db2.gz NOMYLEFOPRELQT-KBPBESRZSA-N 1 0 351.882 2.180 20 30 FEEDRO C=CCOc1ccc(C(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1OC ZINC000877367522 686366414 /nfs/dbraw/zinc/36/64/14/686366414.db2.gz DJPGCFOSGHFVDT-STQMWFEESA-N 1 0 358.360 2.469 20 30 FEEDRO C#CCCCCC[NH+]1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1 ZINC000878101732 686520774 /nfs/dbraw/zinc/52/07/74/686520774.db2.gz WAFQSRZZPDKNDA-UHFFFAOYSA-N 1 0 354.438 2.468 20 30 FEEDRO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879576985 686861544 /nfs/dbraw/zinc/86/15/44/686861544.db2.gz ZFHWMNLAXOVHKF-WWGRRREGSA-N 1 0 358.511 2.461 20 30 FEEDRO C#CCOCC[N@H+]1C[C@@H](CNC(=O)OC(C)(C)C)[C@H](C(F)(F)F)C1 ZINC000880025988 686977855 /nfs/dbraw/zinc/97/78/55/686977855.db2.gz CUKKOAFOQKRKAF-CHWSQXEVSA-N 1 0 350.381 2.271 20 30 FEEDRO N#Cc1cnc(NC2CC[NH+]([C@@H]3CCOC3)CC2)c(Br)c1 ZINC000882115203 687306133 /nfs/dbraw/zinc/30/61/33/687306133.db2.gz WTCIFLZGKYAEFL-CYBMUJFWSA-N 1 0 351.248 2.381 20 30 FEEDRO Cc1ccc(S(=O)(=O)N2CCN(c3cc[nH+]cc3)[C@H](C)C2)c(C#N)c1 ZINC000882619644 687411165 /nfs/dbraw/zinc/41/11/65/687411165.db2.gz RXIPTENJKHPHRQ-OAHLLOKOSA-N 1 0 356.451 2.161 20 30 FEEDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)Nc1ccc(Br)c(C#N)n1 ZINC000883096601 687563720 /nfs/dbraw/zinc/56/37/20/687563720.db2.gz MAEWWFSYGZNHJO-NOZJJQNGSA-N 1 0 364.247 2.320 20 30 FEEDRO Cn1cc(C[NH2+]CC[C@H]2CCCS2(=O)=O)c(-c2ccc(C#N)cc2)n1 ZINC000883298326 687602359 /nfs/dbraw/zinc/60/23/59/687602359.db2.gz OSSMOPZPJBALKG-QGZVFWFLSA-N 1 0 358.467 2.016 20 30 FEEDRO N#C[C@@H]1C[NH2+]CC12CC(C(=O)NCc1cc(F)ccc1Br)C2 ZINC000884069857 687783059 /nfs/dbraw/zinc/78/30/59/687783059.db2.gz QVGCUPYMIPZPSP-BWBHSNQOSA-N 1 0 366.234 2.344 20 30 FEEDRO N#C[C@H]1C[NH2+]CC12CC(C(=O)NC[C@H](OC1CCCC1)C(F)(F)F)C2 ZINC000884400570 687863846 /nfs/dbraw/zinc/86/38/46/687863846.db2.gz LZVWUAJDAPPOJK-LZPVFFGRSA-N 1 0 359.392 2.132 20 30 FEEDRO C#CC[N@@H+](CCC(=O)NC(C)C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000886427657 688254440 /nfs/dbraw/zinc/25/44/40/688254440.db2.gz RTKGFFGCUDPAJS-UHFFFAOYSA-N 1 0 351.491 2.236 20 30 FEEDRO C#CCN(C(=O)c1ccc(OC)c(Br)n1)C1CC[NH+](C)CC1 ZINC000886578836 688279211 /nfs/dbraw/zinc/27/92/11/688279211.db2.gz NFXSCWQEJKUKMA-UHFFFAOYSA-N 1 0 366.259 2.022 20 30 FEEDRO C#CCN(C(=O)c1cn(-c2ccc(Cl)cc2)nn1)C1CC[NH+](C)CC1 ZINC000886583290 688279761 /nfs/dbraw/zinc/27/97/61/688279761.db2.gz KCKCGWXPGZLHKF-UHFFFAOYSA-N 1 0 357.845 2.090 20 30 FEEDRO C#CCN(C(=O)CCc1nnc(-c2ccsc2)o1)C1CC[NH+](C)CC1 ZINC000886585525 688280192 /nfs/dbraw/zinc/28/01/92/688280192.db2.gz ZFKYDRDQELAYPJ-UHFFFAOYSA-N 1 0 358.467 2.287 20 30 FEEDRO N#Cc1cc(S(=O)(=O)N2CCCC[C@]3(CC[NH2+]C3)C2)ccc1Cl ZINC000886899199 688336084 /nfs/dbraw/zinc/33/60/84/688336084.db2.gz DTYSGMSMTZHSMV-MRXNPFEDSA-N 1 0 353.875 2.366 20 30 FEEDRO N#Cc1cc(NC(=O)C(=O)N2CCCC[C@@]3(CC[NH2+]C3)C2)ccc1Cl ZINC000887037055 688360759 /nfs/dbraw/zinc/36/07/59/688360759.db2.gz SVAHPQRYTOJCLT-SFHVURJKSA-N 1 0 360.845 2.142 20 30 FEEDRO C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC000887921413 688520513 /nfs/dbraw/zinc/52/05/13/688520513.db2.gz GPLIQJDZMNCFKZ-LBTNJELSSA-N 1 0 371.909 2.432 20 30 FEEDRO C#CCSCC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000889906557 688848107 /nfs/dbraw/zinc/84/81/07/688848107.db2.gz GIRUTZHBTKMCDS-ROUUACIJSA-N 1 0 351.560 2.148 20 30 FEEDRO C=CCCC(C)(C)CNC(=O)NC1CCN(C(=O)CCC[NH2+]C)CC1 ZINC000892265854 689172802 /nfs/dbraw/zinc/17/28/02/689172802.db2.gz UWHSNGUNBKJRLL-UHFFFAOYSA-N 1 0 352.523 2.269 20 30 FEEDRO CN(Cc1cc(C#N)cs1)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000893742655 689397508 /nfs/dbraw/zinc/39/75/08/689397508.db2.gz LLPRZOATVUTETE-IRXDYDNUSA-N 1 0 362.499 2.139 20 30 FEEDRO C=CCC[C@H](CO)[NH2+][C@@H]1C[C@H](NC(=O)OC(C)(C)C)C12CCOCC2 ZINC000894770007 689593016 /nfs/dbraw/zinc/59/30/16/689593016.db2.gz RXJDKDUZIIQANM-OAGGEKHMSA-N 1 0 354.491 2.366 20 30 FEEDRO N#Cc1cc(N2CC[NH+](CCc3ccncc3)CC2)ncc1Br ZINC000894843310 689606969 /nfs/dbraw/zinc/60/69/69/689606969.db2.gz KXTBFQXZHXDVER-UHFFFAOYSA-N 1 0 372.270 2.475 20 30 FEEDRO O=C1[C@@H]([NH2+]Cc2ccc(Br)c3cccnc23)CCCN1O ZINC000895161189 689669376 /nfs/dbraw/zinc/66/93/76/689669376.db2.gz FHTINTJBSHODHN-ZDUSSCGKSA-N 1 0 350.216 2.467 20 30 FEEDRO C=CCC1([NH2+]Cc2cn(C)nc2I)CCOCC1 ZINC000895259538 689686270 /nfs/dbraw/zinc/68/62/70/689686270.db2.gz LNXFODYTRXZZQW-UHFFFAOYSA-N 1 0 361.227 2.240 20 30 FEEDRO COC(=O)[C@@H]1[C@@H](C[NH2+]C2(c3cccc(C#N)c3)CCOCC2)C1(F)F ZINC000895277032 689689202 /nfs/dbraw/zinc/68/92/02/689689202.db2.gz BPSIHKHXFCCACT-CABCVRRESA-N 1 0 350.365 2.208 20 30 FEEDRO C=CCOc1ccc(C[NH2+][C@@H]2C(=O)NCC23CCOCC3)cc1Cl ZINC000895773802 689770207 /nfs/dbraw/zinc/77/02/07/689770207.db2.gz TZBJAJPLQPDWAZ-MRXNPFEDSA-N 1 0 350.846 2.290 20 30 FEEDRO N#Cc1cc(NC[C@@H]2CC[N@@H+]2C2CCOCC2)ncc1Br ZINC000896526079 689885186 /nfs/dbraw/zinc/88/51/86/689885186.db2.gz SAZHWYKAKSHVNT-ZDUSSCGKSA-N 1 0 351.248 2.381 20 30 FEEDRO Cc1c2cc(C#N)ccc2sc1C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCN1C ZINC000896540835 689888871 /nfs/dbraw/zinc/88/88/71/689888871.db2.gz YUNJPHPNQNWHHI-XJKSGUPXSA-N 1 0 356.495 2.446 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)NC[C@H](c1ccccc1Cl)N1CCOCC1 ZINC000900156544 690476657 /nfs/dbraw/zinc/47/66/57/690476657.db2.gz CPOFZMRDUJVXAF-GOSISDBHSA-N 1 0 365.905 2.337 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)Nc1ccc(C(=O)NCCOC)c(Cl)c1 ZINC000900268201 690492783 /nfs/dbraw/zinc/49/27/83/690492783.db2.gz NYBKRFPLAVEXNR-UHFFFAOYSA-N 1 0 353.850 2.163 20 30 FEEDRO C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 ZINC000900788460 690562001 /nfs/dbraw/zinc/56/20/01/690562001.db2.gz BACKOSAZNFGAIH-KXBFYZLASA-N 1 0 355.463 2.358 20 30 FEEDRO C=C1CCC(C(=O)N(CC[NH+](CC)CC)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000901211450 690626038 /nfs/dbraw/zinc/62/60/38/690626038.db2.gz CHRIGYLHCCUMDV-KRWDZBQOSA-N 1 0 356.532 2.090 20 30 FEEDRO C=CCN(CC=C)C(=O)[C@@H](C)[NH2+][C@H]1CCc2ncc(Br)n2C1 ZINC000901727204 690685103 /nfs/dbraw/zinc/68/51/03/690685103.db2.gz DPZGLBDTBQXMSB-OLZOCXBDSA-N 1 0 367.291 2.139 20 30 FEEDRO CC[NH+]1CCC(NC(=O)COc2c(Cl)cc(C#N)cc2OC)CC1 ZINC000902164764 690742691 /nfs/dbraw/zinc/74/26/91/690742691.db2.gz MVYIZCKIYZXZCK-UHFFFAOYSA-N 1 0 351.834 2.200 20 30 FEEDRO CC[C@H]([NH2+]CCS(=O)(=O)NC[C@@H]1CCCCO1)c1cccc(C#N)c1 ZINC000902863398 690814678 /nfs/dbraw/zinc/81/46/78/690814678.db2.gz YPTNVFCFGXETTF-ROUUACIJSA-N 1 0 365.499 2.087 20 30 FEEDRO CC1(C)C[NH2+][C@@H]1C1CCN(S(=O)(=O)c2cc(F)cc(C#N)c2)CC1 ZINC000905358006 691108396 /nfs/dbraw/zinc/10/83/96/691108396.db2.gz ZQFLSGOKNAFVKD-MRXNPFEDSA-N 1 0 351.447 2.096 20 30 FEEDRO C[C@](O)(C[NH2+]C[C@@H](O)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F ZINC000905447559 691119804 /nfs/dbraw/zinc/11/98/04/691119804.db2.gz SLLQTBXAAYXHDF-UHNVWZDZSA-N 1 0 355.172 2.083 20 30 FEEDRO N#CC1(C[C@H](O)C[NH2+]C[C@H]2CCC[C@H](C(F)(F)F)O2)CCOCC1 ZINC000905568122 691142750 /nfs/dbraw/zinc/14/27/50/691142750.db2.gz RMGBPPSLXAPFEF-BFHYXJOUSA-N 1 0 350.381 2.147 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)N[C@H]1CC12CCN(C(=O)OC(C)(C)C)CC2 ZINC000908350233 691664228 /nfs/dbraw/zinc/66/42/28/691664228.db2.gz YVNXMBQVGLHRAC-HNNXBMFYSA-N 1 0 351.491 2.400 20 30 FEEDRO CCOC(=O)C1CC[NH+](C2CCN(c3ncc(C#N)cc3C#N)CC2)CC1 ZINC001164614122 719023959 /nfs/dbraw/zinc/02/39/59/719023959.db2.gz NNCYOJFSVVOTKB-UHFFFAOYSA-N 1 0 367.453 2.069 20 30 FEEDRO Cc1cc(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)ncc1C#N ZINC001164818912 720311616 /nfs/dbraw/zinc/31/16/16/720311616.db2.gz BREGFBXSKNVNOL-MOPGFXCFSA-N 1 0 367.497 2.173 20 30 FEEDRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2ccc(C3(C#N)CCC3)cn2)C1 ZINC001164728784 720514666 /nfs/dbraw/zinc/51/46/66/720514666.db2.gz LKPBVJJGJGOXAL-MRXNPFEDSA-N 1 0 350.470 2.421 20 30 FEEDRO COCC[N@@H+]1CCO[C@H]2CN(c3cc(C#N)c4ccccc4n3)CC[C@H]2C1 ZINC001164861764 720874653 /nfs/dbraw/zinc/87/46/53/720874653.db2.gz QFVNZQMSECEMHY-JXFKEZNVSA-N 1 0 366.465 2.280 20 30 FEEDRO COCC[N@@H+]1CCO[C@H]2CN(c3nc4c(cc3C#N)CCCC4)CC[C@@H]2C1 ZINC001164863761 720875252 /nfs/dbraw/zinc/87/52/52/720875252.db2.gz UDPSRJJHPXKTGK-XLIONFOSSA-N 1 0 370.497 2.006 20 30 FEEDRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nccc(Cl)c4C#N)C[C@@H]3C2)cn1 ZINC001164762805 721095735 /nfs/dbraw/zinc/09/57/35/721095735.db2.gz FIEFEWZCECTACI-CABCVRRESA-N 1 0 356.861 2.298 20 30 FEEDRO C=CCOc1cc(C)nc(N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)n1 ZINC001164769911 721137729 /nfs/dbraw/zinc/13/77/29/721137729.db2.gz PZLTUMGWYZNNGK-ZWKOTPCHSA-N 1 0 368.485 2.042 20 30 FEEDRO Cc1cc(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)ncc1C#N ZINC001164892487 721404011 /nfs/dbraw/zinc/40/40/11/721404011.db2.gz YKPSUCLYMANKFH-CTNGQTDRSA-N 1 0 369.513 2.027 20 30 FEEDRO N#Cc1c(F)cccc1-n1ccc(NC(=O)NCCC[NH+]2CCCC2)n1 ZINC000513108969 810782763 /nfs/dbraw/zinc/78/27/63/810782763.db2.gz USDZGNVJLBFWFS-UHFFFAOYSA-N 1 0 356.405 2.490 20 30 FEEDRO CC[NH+](CC)[C@H](CNC(=O)CNc1ccc(C#N)cn1)Cc1ccccc1 ZINC000497655548 883498146 /nfs/dbraw/zinc/49/81/46/883498146.db2.gz DHOZENSNJRICCS-IBGZPJMESA-N 1 0 365.481 2.434 20 30 FEEDRO C[NH+](C)CCN(CCCc1ccccc1)C(=O)CNc1ccc(C#N)cn1 ZINC000497663219 887222893 /nfs/dbraw/zinc/22/28/93/887222893.db2.gz LIWJVRJNKCUHKD-UHFFFAOYSA-N 1 0 365.481 2.388 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2cc3cc(OC)ccc3[nH]2)c1C#N ZINC000527314510 887810691 /nfs/dbraw/zinc/81/06/91/887810691.db2.gz QIUVPOXKDNPCPG-UHFFFAOYSA-N 1 0 352.398 2.176 20 30 FEEDRO CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000522269772 887914628 /nfs/dbraw/zinc/91/46/28/887914628.db2.gz UCRSHXVKHXVSQE-SFHVURJKSA-N 1 0 355.442 2.358 20 30 FEEDRO C[C@@H]([NH2+][C@H](C)c1ccc2c(c1)NC(=O)CO2)C(=O)NC1(C#N)CCCCC1 ZINC000027034723 539799788 /nfs/dbraw/zinc/79/97/88/539799788.db2.gz HDEDHIHAUFPYLQ-ZIAGYGMSSA-N 1 0 370.453 2.399 20 30 FEEDRO C[NH+](C)C1(CNC(=O)N2CCN(c3cc(C#N)ccn3)CC2)CCCCC1 ZINC000045551868 540216523 /nfs/dbraw/zinc/21/65/23/540216523.db2.gz MAAKYKZZLORZPN-UHFFFAOYSA-N 1 0 370.501 2.049 20 30 FEEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)NCCCn3cccn3)CC2)cc1 ZINC000045714679 540223077 /nfs/dbraw/zinc/22/30/77/540223077.db2.gz LKGIRDAXDBROIV-UHFFFAOYSA-N 1 0 366.469 2.062 20 30 FEEDRO CC[NH+](CC)[C@H](C)CNC(=O)N1CCN(c2cccc(F)c2C#N)CC1 ZINC000046279674 540250760 /nfs/dbraw/zinc/25/07/60/540250760.db2.gz LKXUIBRXEJIPOO-OAHLLOKOSA-N 1 0 361.465 2.259 20 30 FEEDRO C[C@@H](NC(=O)N1CCC(C[NH+]2CCOCC2)CC1)c1ccc(C#N)cc1 ZINC000047052353 540287603 /nfs/dbraw/zinc/28/76/03/540287603.db2.gz WTVNDEHPJSFKDG-MRXNPFEDSA-N 1 0 356.470 2.373 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1COc2ccccc2O1 ZINC000047010950 540284533 /nfs/dbraw/zinc/28/45/33/540284533.db2.gz QTOYLDUWXFZPNI-HXUWFJFHSA-N 1 0 365.433 2.288 20 30 FEEDRO CC(C)N(C)C(=O)C1CC[NH+](C[C@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000047926880 540335091 /nfs/dbraw/zinc/33/50/91/540335091.db2.gz WFNDEVIOGYNCFZ-IBGZPJMESA-N 1 0 373.497 2.071 20 30 FEEDRO CCOCCCNC(=O)[C@@H](C)[N@@H+]1CCCN(c2ccc(C#N)cc2)CC1 ZINC000052800178 540489555 /nfs/dbraw/zinc/48/95/55/540489555.db2.gz OXRTVGRYRDHDTO-QGZVFWFLSA-N 1 0 358.486 2.002 20 30 FEEDRO C=CCN(CC=C)C(=O)C[NH+]1CCC(C(=O)Nc2ncccc2C)CC1 ZINC000054206357 540574835 /nfs/dbraw/zinc/57/48/35/540574835.db2.gz VDTCXCOWUVQIRA-UHFFFAOYSA-N 1 0 356.470 2.241 20 30 FEEDRO C=CCNC(=O)[C@@H](C)[NH+]1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 ZINC000054215361 540575814 /nfs/dbraw/zinc/57/58/14/540575814.db2.gz LJEZMIVCZNLUSA-GFCCVEGCSA-N 1 0 350.850 2.076 20 30 FEEDRO Cc1ccc(C#N)cc1NC(=O)C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000057666173 540806654 /nfs/dbraw/zinc/80/66/54/540806654.db2.gz CIHAFAOUWYLRQR-HUUCEWRRSA-N 1 0 356.470 2.289 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)NC2CCN(C(=O)c3ccc(C)cc3)CC2)CC1 ZINC000066676537 541358497 /nfs/dbraw/zinc/35/84/97/541358497.db2.gz BDNOVEQHTONSCZ-UHFFFAOYSA-N 1 0 367.493 2.061 20 30 FEEDRO C[C@H]1C[C@@H](NC(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CC[N@@H+]1C ZINC000542960255 541509242 /nfs/dbraw/zinc/50/92/42/541509242.db2.gz VPSHLDPLGSQGSM-JSGCOSHPSA-N 1 0 356.405 2.487 20 30 FEEDRO C[NH+]1CCN(C[C@H](NC(=O)c2cccc(CC#N)c2)c2ccccc2)CC1 ZINC000068023971 541539722 /nfs/dbraw/zinc/53/97/22/541539722.db2.gz HBLMTGABYDESTH-NRFANRHFSA-N 1 0 362.477 2.471 20 30 FEEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000068133850 541553245 /nfs/dbraw/zinc/55/32/45/541553245.db2.gz CZUJZPSDTAMGJP-QGZVFWFLSA-N 1 0 370.497 2.273 20 30 FEEDRO Cc1cccc(N2C[C@@H](C(=O)N(CCC#N)CCC[NH+](C)C)CC2=O)c1C ZINC000068233213 541566447 /nfs/dbraw/zinc/56/64/47/541566447.db2.gz MVFYLYSUKFNXER-SFHVURJKSA-N 1 0 370.497 2.350 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000068924181 541641359 /nfs/dbraw/zinc/64/13/59/541641359.db2.gz MYAZJMNNGFIXLX-UHFFFAOYSA-N 1 0 353.325 2.480 20 30 FEEDRO Cc1ccc(C#N)cc1NC(=O)C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000069122286 541659746 /nfs/dbraw/zinc/65/97/46/541659746.db2.gz RXJNXVGKIRTIGG-UHFFFAOYSA-N 1 0 350.422 2.183 20 30 FEEDRO COCC[N@@H+](Cc1ccc(C#N)cc1)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000069072106 541654029 /nfs/dbraw/zinc/65/40/29/541654029.db2.gz ZKYIQHKKQAWWSL-HXUWFJFHSA-N 1 0 365.433 2.318 20 30 FEEDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](Oc1ccccc1C#N)C(C)C ZINC000069500704 541691418 /nfs/dbraw/zinc/69/14/18/541691418.db2.gz FAKDNDXNOUSMDV-IEBWSBKVSA-N 1 0 359.470 2.189 20 30 FEEDRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)CSCc1ccc(C#N)cc1 ZINC000072051928 541780885 /nfs/dbraw/zinc/78/08/85/541780885.db2.gz IDEYFEHBLMBMDK-GOSISDBHSA-N 1 0 361.511 2.361 20 30 FEEDRO C[C@H](C(=O)Nc1cccc(F)c1)N1CC[NH+](CCCSCC#N)CC1 ZINC000072515022 541825077 /nfs/dbraw/zinc/82/50/77/541825077.db2.gz JODPIQLHFPLLKS-OAHLLOKOSA-N 1 0 364.490 2.417 20 30 FEEDRO CCC[C@H]1[C@H](C)CCC[N@@H+]1CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 ZINC000072776499 541863885 /nfs/dbraw/zinc/86/38/85/541863885.db2.gz AUBNHCIYIRECTM-QAPCUYQASA-N 1 0 373.501 2.404 20 30 FEEDRO C[NH+]=C(NCc1nnc2n1CCC2)N(C)Cc1c(F)cccc1Cl ZINC000073772906 541997679 /nfs/dbraw/zinc/99/76/79/541997679.db2.gz SLKMBLJLHYERGE-UHFFFAOYSA-N 1 0 350.829 2.224 20 30 FEEDRO C[C@H](C(=O)N1CCCN(c2ncccc2C#N)CC1)[NH+]1CCCCCC1 ZINC000074248616 542058712 /nfs/dbraw/zinc/05/87/12/542058712.db2.gz JTVRBEBXPRBZMT-QGZVFWFLSA-N 1 0 355.486 2.256 20 30 FEEDRO C[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)c1cnn(C)c1 ZINC000074477564 542088049 /nfs/dbraw/zinc/08/80/49/542088049.db2.gz XZSSZQIXTNECIG-HNNXBMFYSA-N 1 0 354.458 2.126 20 30 FEEDRO CC(C)[NH+]=C(NC[C@H]1CCS(=O)(=O)C1)N[C@H](C)c1ccc(F)c(F)c1 ZINC000074718002 542115181 /nfs/dbraw/zinc/11/51/81/542115181.db2.gz IWFIIDZWVYJTCW-CHWSQXEVSA-N 1 0 373.469 2.404 20 30 FEEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000076333663 542262003 /nfs/dbraw/zinc/26/20/03/542262003.db2.gz NSRRVZOUTOOPKJ-ZIAGYGMSSA-N 1 0 372.494 2.230 20 30 FEEDRO CCOc1ccc(C#N)cc1NC(=O)C(=O)NCCC1CC[NH+](CC)CC1 ZINC000076505527 542286631 /nfs/dbraw/zinc/28/66/31/542286631.db2.gz OPLKEAASKHNOMC-UHFFFAOYSA-N 1 0 372.469 2.134 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cc(C#N)ccc2OC(C)C)CC1 ZINC000076512816 542288634 /nfs/dbraw/zinc/28/86/34/542288634.db2.gz XYQIFMMXRQCBCN-UHFFFAOYSA-N 1 0 370.453 2.051 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)[C@@H]2CCC(=O)N(C)[C@@H]2c2cccs2)CC1 ZINC000076593083 542298457 /nfs/dbraw/zinc/29/84/57/542298457.db2.gz HAQQEAPCTYRFCO-QAPCUYQASA-N 1 0 361.511 2.424 20 30 FEEDRO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)Nc2cccc(OCCCC#N)c2)C1 ZINC000076667612 542309318 /nfs/dbraw/zinc/30/93/18/542309318.db2.gz DITUEHCBENJVRI-QGZVFWFLSA-N 1 0 372.469 2.250 20 30 FEEDRO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2OC(C)C)C1 ZINC000076672135 542311130 /nfs/dbraw/zinc/31/11/30/542311130.db2.gz XIQVFDHNPCFHCG-MRXNPFEDSA-N 1 0 372.469 2.084 20 30 FEEDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2cccc(OCCCC#N)c2)C1 ZINC000076673427 542311271 /nfs/dbraw/zinc/31/12/71/542311271.db2.gz LVAQQQPYFUOOQH-INIZCTEOSA-N 1 0 372.469 2.108 20 30 FEEDRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000077538957 542394111 /nfs/dbraw/zinc/39/41/11/542394111.db2.gz ZAYUYZWOYHYOJC-AWEZNQCLSA-N 1 0 360.433 2.407 20 30 FEEDRO N#Cc1ccc(NCCCC[NH+]2CCN(CCO)CC2)c(C(F)(F)F)c1 ZINC000077978674 542434357 /nfs/dbraw/zinc/43/43/57/542434357.db2.gz QGHCOLZYPJTENA-UHFFFAOYSA-N 1 0 370.419 2.379 20 30 FEEDRO CC1CC[NH+](Cc2cccc(CNS(=O)(=O)N(C)CCC#N)c2)CC1 ZINC000078467836 542463264 /nfs/dbraw/zinc/46/32/64/542463264.db2.gz XSRQIFGAFHMXLA-UHFFFAOYSA-N 1 0 364.515 2.098 20 30 FEEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000055749241 221073191 /nfs/dbraw/zinc/07/31/91/221073191.db2.gz QPYZMQCWPONWBV-QLFBSQMISA-N 1 0 372.513 2.279 20 30 FEEDRO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]CCO[C@@H](C)C#N)cc1 ZINC000801930935 674155738 /nfs/dbraw/zinc/15/57/38/674155738.db2.gz ZWMOZZAINWWBGR-GJZGRUSLSA-N 1 0 353.488 2.296 20 30 FEEDRO CC(C)[C@](C)(C#N)NC(=O)CN(C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000081006002 542623267 /nfs/dbraw/zinc/62/32/67/542623267.db2.gz MVGAFLKHQQSYJJ-NRFANRHFSA-N 1 0 371.529 2.075 20 30 FEEDRO CN(C)C(=O)c1ccc(CNC(=[NH2+])N[C@H]2CCOc3ccccc32)cc1 ZINC000083030597 542690237 /nfs/dbraw/zinc/69/02/37/542690237.db2.gz JYNKQCJZAMEFMR-KRWDZBQOSA-N 1 0 352.438 2.317 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N2CCC[C@H](C(C)(C)C(=O)OC)C2)CC1 ZINC000089212233 542758777 /nfs/dbraw/zinc/75/87/77/542758777.db2.gz UBRRRKCUQSQHKY-HNNXBMFYSA-N 1 0 351.491 2.258 20 30 FEEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1CCC[C@H]([C@H](C)O)C1 ZINC000089931535 542775517 /nfs/dbraw/zinc/77/55/17/542775517.db2.gz NMPODYQEPUJJPK-ULQDDVLXSA-N 1 0 359.470 2.423 20 30 FEEDRO N#CCC[C@H]([NH2+]C1CCN(CCN2CCOCC2)CC1)c1ccccc1 ZINC000090665462 542788637 /nfs/dbraw/zinc/78/86/37/542788637.db2.gz VYEGRYLOLRZLJH-NRFANRHFSA-N 1 0 356.514 2.418 20 30 FEEDRO C[C@@H](CC[NH+](C)C)NC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000092220099 542849940 /nfs/dbraw/zinc/84/99/40/542849940.db2.gz IQCXAFQRJUWPDA-OOHWJJMZSA-N 1 0 359.474 2.283 20 30 FEEDRO CC(C)C(=O)NC[C@H]1CCC[N@H+](CCC(=O)Nc2cccc(C#N)c2)C1 ZINC000101911687 543049395 /nfs/dbraw/zinc/04/93/95/543049395.db2.gz GNODLBMDMCMBOP-QGZVFWFLSA-N 1 0 356.470 2.371 20 30 FEEDRO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000103284914 543101318 /nfs/dbraw/zinc/10/13/18/543101318.db2.gz WPZRKSCFPJAPSC-KBPBESRZSA-N 1 0 362.861 2.172 20 30 FEEDRO COc1ccc(CCNC(=[NH2+])NCc2cccc(N(C)C)c2)cc1OC ZINC000104162084 543125496 /nfs/dbraw/zinc/12/54/96/543125496.db2.gz LSPAAZHXWPBRII-UHFFFAOYSA-N 1 0 356.470 2.417 20 30 FEEDRO C[C@H](CNC(=O)N1CCCN(c2ccccc2C#N)CC1)[N@H+](C)C1CC1 ZINC000105267918 543167356 /nfs/dbraw/zinc/16/73/56/543167356.db2.gz IOVUGNHJYOQJAX-MRXNPFEDSA-N 1 0 355.486 2.263 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)Cn2cnc3sc(C)c(C)c3c2=O)CC1 ZINC000106038215 543186423 /nfs/dbraw/zinc/18/64/23/543186423.db2.gz DNKPGQYJCCOAGV-UHFFFAOYSA-N 1 0 374.510 2.232 20 30 FEEDRO CC1CC[NH+]([C@H](CNC(=O)N2CCO[C@@H](C#N)C2)c2ccccc2)CC1 ZINC000106334407 543224270 /nfs/dbraw/zinc/22/42/70/543224270.db2.gz OHLITNYIWHTRMY-RBUKOAKNSA-N 1 0 356.470 2.394 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2COc3c(cccc3OC)C2)CC1 ZINC000106338787 543224006 /nfs/dbraw/zinc/22/40/06/543224006.db2.gz GSXJLXLJHVXQOC-QGZVFWFLSA-N 1 0 359.470 2.338 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cccc([C@H](C)OC)c2)CC1 ZINC000106349069 543224758 /nfs/dbraw/zinc/22/47/58/543224758.db2.gz BLVORRNUZZJVBD-HNNXBMFYSA-N 1 0 359.470 2.489 20 30 FEEDRO C=CCOc1cccc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)c1 ZINC000106962145 543258386 /nfs/dbraw/zinc/25/83/86/543258386.db2.gz JDPINBWFLMMLOM-INIZCTEOSA-N 1 0 357.454 2.323 20 30 FEEDRO C=CCN(CCCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000108870485 543306773 /nfs/dbraw/zinc/30/67/73/543306773.db2.gz HDHZWCASXPVPGV-OAHLLOKOSA-N 1 0 354.428 2.039 20 30 FEEDRO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000109820624 543340482 /nfs/dbraw/zinc/34/04/82/543340482.db2.gz ZUBDFUPRPZJXKE-INIZCTEOSA-N 1 0 362.499 2.135 20 30 FEEDRO O=C(C[N@H+]1[C@@H]2CC[C@H]1CC(O)C2)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000111316237 543395976 /nfs/dbraw/zinc/39/59/76/543395976.db2.gz JUYMLXSTHQFQHD-SJPCQFCGSA-N 1 0 366.383 2.161 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1csc(-c2nc[nH]n2)n1)C(C)C ZINC000112919777 543468624 /nfs/dbraw/zinc/46/86/24/543468624.db2.gz GZIWKJFTWMFJLB-AWEZNQCLSA-N 1 0 360.487 2.357 20 30 FEEDRO N#CCCn1cc(C[NH2+]C[C@H]2CN(C3CC3)CCO2)c(-c2ccccc2)n1 ZINC000113338953 543484414 /nfs/dbraw/zinc/48/44/14/543484414.db2.gz OLHMHFIUWNMYGN-FQEVSTJZSA-N 1 0 365.481 2.417 20 30 FEEDRO Cc1nc2n(n1)C[C@H]([NH2+]Cc1cn(CCC#N)nc1-c1ccccc1)CC2 ZINC000113333685 543484488 /nfs/dbraw/zinc/48/44/88/543484488.db2.gz TZPSBXOLUVLMTG-GOSISDBHSA-N 1 0 361.453 2.468 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)NCCc2nc(-c3cccc(Cl)c3)no2)CC1 ZINC000114646779 543527990 /nfs/dbraw/zinc/52/79/90/543527990.db2.gz RMHAJBZWNBXVEN-UHFFFAOYSA-N 1 0 372.856 2.394 20 30 FEEDRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)c2ccc(C#N)nc2)CC1 ZINC000115027613 543549493 /nfs/dbraw/zinc/54/94/93/543549493.db2.gz QOJFAKYHIJNYRC-UHFFFAOYSA-N 1 0 363.465 2.021 20 30 FEEDRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000118113913 543645679 /nfs/dbraw/zinc/64/56/79/543645679.db2.gz NLWWFZYRTGEISZ-INIZCTEOSA-N 1 0 360.433 2.407 20 30 FEEDRO C[C@H](CNC(=O)C(=O)Nc1ccccc1SCCC#N)[N@H+](C)C1CC1 ZINC000118128973 543647897 /nfs/dbraw/zinc/64/78/97/543647897.db2.gz FZHYSVQCKCNGCB-CYBMUJFWSA-N 1 0 360.483 2.230 20 30 FEEDRO O=S(=O)(NC1CC1)[C@H]1CCN(CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000120746818 543684343 /nfs/dbraw/zinc/68/43/43/543684343.db2.gz BBNLSIIDJPWKQI-INIZCTEOSA-N 1 0 372.412 2.213 20 30 FEEDRO Cc1nc(C#N)c(N2CCN(C(=O)C[NH2+][C@H]3CCC(C)(C)C[C@H]3C)CC2)o1 ZINC000120980413 543687452 /nfs/dbraw/zinc/68/74/52/543687452.db2.gz RFXGQFRNZUJZMO-ZBFHGGJFSA-N 1 0 373.501 2.308 20 30 FEEDRO CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000121260832 543691445 /nfs/dbraw/zinc/69/14/45/543691445.db2.gz GHAFQHLORBOTLN-HNNXBMFYSA-N 1 0 372.469 2.051 20 30 FEEDRO C#CCOc1cccc(NC(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000118821319 543660250 /nfs/dbraw/zinc/66/02/50/543660250.db2.gz TXHOVQIADIYCSO-QGZVFWFLSA-N 1 0 357.454 2.275 20 30 FEEDRO C[NH+]=C(NCc1nncn1C)N[C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000119589039 543669425 /nfs/dbraw/zinc/66/94/25/543669425.db2.gz NICMZNOYICLNHM-HNNXBMFYSA-N 1 0 354.458 2.317 20 30 FEEDRO C[C@@H]1C[C@@H](N(C)C(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)CC[N@@H+]1C ZINC000120458613 543679896 /nfs/dbraw/zinc/67/98/96/543679896.db2.gz YGASEBXMVBWUTR-PBHICJAKSA-N 1 0 356.470 2.367 20 30 FEEDRO Cn1ccnc1C[C@H]1CCCN(C(=O)Cc2ccc(OCC#N)cc2)C1 ZINC000120504289 543681025 /nfs/dbraw/zinc/68/10/25/543681025.db2.gz WOWDIGPZOBBZQD-QGZVFWFLSA-N 1 0 352.438 2.346 20 30 FEEDRO CCOc1cc(C)ccc1NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C ZINC000122147636 543703759 /nfs/dbraw/zinc/70/37/59/543703759.db2.gz XBYXIFOVEVDNQO-UHFFFAOYSA-N 1 0 360.458 2.026 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)NC[C@@](C)(O)c2ccccc2Cl)CC1 ZINC000124462969 543823389 /nfs/dbraw/zinc/82/33/89/543823389.db2.gz XGKPKILNYHBTHZ-GOSISDBHSA-N 1 0 351.878 2.497 20 30 FEEDRO C[C@H]1C[C@@H](NS(=O)(=O)c2ccccc2C#N)C[N@@H+]1Cc1ccccc1 ZINC000126359470 543931710 /nfs/dbraw/zinc/93/17/10/543931710.db2.gz IFBQSXGNZZIPQH-MAUKXSAKSA-N 1 0 355.463 2.500 20 30 FEEDRO CC(C)[C@](C)(C#N)NC(=O)CN1CCCN(C(=O)c2cccc(F)c2)CC1 ZINC000126712533 543952502 /nfs/dbraw/zinc/95/25/02/543952502.db2.gz MLBTVGZOJBNZFN-FQEVSTJZSA-N 1 0 374.460 2.028 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@H]2CCCC[C@@H]2n2cccn2)cc1 ZINC000127735606 544011018 /nfs/dbraw/zinc/01/10/18/544011018.db2.gz ICVQUAIKXCOQDG-ROUUACIJSA-N 1 0 358.467 2.302 20 30 FEEDRO N#Cc1csc(C[NH2+]CCNS(=O)(=O)c2ccc(Cl)s2)c1 ZINC000127903660 544020988 /nfs/dbraw/zinc/02/09/88/544020988.db2.gz PMKDUNYWZCRZRF-UHFFFAOYSA-N 1 0 361.901 2.403 20 30 FEEDRO N#C[C@H]1CN(C(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)CCO1 ZINC000127286792 543983672 /nfs/dbraw/zinc/98/36/72/543983672.db2.gz FAWLZUVOWQMJTD-SFHVURJKSA-N 1 0 358.442 2.308 20 30 FEEDRO C[C@H]1C[C@H](NC(=O)N2CCN(c3ccccc3C#N)CC2)C[N@@H+]1C1CC1 ZINC000127325360 543986350 /nfs/dbraw/zinc/98/63/50/543986350.db2.gz DLOZLQIMTZKOLA-RDJZCZTQSA-N 1 0 353.470 2.015 20 30 FEEDRO COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000127454928 543994178 /nfs/dbraw/zinc/99/41/78/543994178.db2.gz ZKQGUDBRNQDICN-YJBOKZPZSA-N 1 0 356.470 2.341 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1C#N ZINC000128177367 544036829 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FEEDRO C[NH+](C)C[C@@](C)(O)CNC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000152556649 544667949 /nfs/dbraw/zinc/66/79/49/544667949.db2.gz JEJWKWIQLZLKMO-FQEVSTJZSA-N 1 0 353.422 2.393 20 30 FEEDRO N#Cc1c2c(sc1NC(=O)CC[N@@H+](CCO)Cc1cccnc1)CCC2 ZINC000152319307 544638490 /nfs/dbraw/zinc/63/84/90/544638490.db2.gz GGEDERQHTRGMTF-UHFFFAOYSA-N 1 0 370.478 2.327 20 30 FEEDRO C#CCSCCNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000154806167 544951749 /nfs/dbraw/zinc/95/17/49/544951749.db2.gz MTKRHWWZCDZBDT-UHFFFAOYSA-N 1 0 356.495 2.142 20 30 FEEDRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+]CCOc2cccc(C#N)c2)cc1 ZINC000181052670 327714396 /nfs/dbraw/zinc/71/43/96/327714396.db2.gz HZBUXUNAVRGXJW-AWEZNQCLSA-N 1 0 359.451 2.196 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CCCC(F)(F)C2)CC1 ZINC000553713023 674281225 /nfs/dbraw/zinc/28/12/25/674281225.db2.gz WUBJBBMHYKJXKG-CQSZACIVSA-N 1 0 357.445 2.085 20 30 FEEDRO N#Cc1c(F)cccc1C(=O)NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000187377040 328020904 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FEEDRO COc1cc(C#N)ccc1S(=O)(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000191884611 328286815 /nfs/dbraw/zinc/28/68/15/328286815.db2.gz YMJAJNDGSVEUEH-INIZCTEOSA-N 1 0 365.499 2.356 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1ccccc1F ZINC000193572825 328382430 /nfs/dbraw/zinc/38/24/30/328382430.db2.gz GAKKMUUKWPQYRN-UHFFFAOYSA-N 1 0 368.412 2.226 20 30 FEEDRO Cc1ccccc1NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000193572675 328382494 /nfs/dbraw/zinc/38/24/94/328382494.db2.gz LBYSTOVWVSGWCB-UHFFFAOYSA-N 1 0 364.449 2.396 20 30 FEEDRO CCOc1ccc(C#N)cc1NC(=O)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000193620582 328385790 /nfs/dbraw/zinc/38/57/90/328385790.db2.gz ZOMLUJKGNQHOBC-SFHVURJKSA-N 1 0 373.501 2.350 20 30 FEEDRO CN(C(=O)c1ccnc(C#N)c1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000193679213 328389330 /nfs/dbraw/zinc/38/93/30/328389330.db2.gz PHNZJKQEKNBZPK-PMACEKPBSA-N 1 0 369.513 2.362 20 30 FEEDRO N#Cc1ccccc1N1CCCN(C(=O)C2CC[NH+](C3CC3)CC2)CC1 ZINC000194267569 328417588 /nfs/dbraw/zinc/41/75/88/328417588.db2.gz QBRNEFNQTPPHGT-UHFFFAOYSA-N 1 0 352.482 2.471 20 30 FEEDRO CC(C)[NH+]1CCC(NC(=O)N2CCN(c3cccc(F)c3C#N)CC2)CC1 ZINC000043179238 324541507 /nfs/dbraw/zinc/54/15/07/324541507.db2.gz WWHZMDQOJHBAFZ-UHFFFAOYSA-N 1 0 373.476 2.402 20 30 FEEDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)N1CCN(c2cccc(F)c2C#N)CC1 ZINC000079292990 325085806 /nfs/dbraw/zinc/08/58/06/325085806.db2.gz YZIAEDHSJNQDQM-INIZCTEOSA-N 1 0 373.476 2.403 20 30 FEEDRO C[C@H]([NH3+])[C@H]1CCCCN1S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000237575077 328520799 /nfs/dbraw/zinc/52/07/99/328520799.db2.gz WTJJMOFCAHSEMN-IINYFYTJSA-N 1 0 372.288 2.211 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)NCCC[NH2+]Cc2cccnc2)cc1Cl ZINC000237713566 328526030 /nfs/dbraw/zinc/52/60/30/328526030.db2.gz WXWUDZRLXPKDJY-UHFFFAOYSA-N 1 0 364.858 2.065 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)COc2ccc3c(c2)CCCC3)c1C#N ZINC000089675792 325326594 /nfs/dbraw/zinc/32/65/94/325326594.db2.gz JPOOPKIXTITZAI-UHFFFAOYSA-N 1 0 367.453 2.330 20 30 FEEDRO CC(C)[C@@H](NC(=O)C[N@H+](C)CCCc1[nH]nc(N)c1C#N)c1ccccc1 ZINC000089943846 325344730 /nfs/dbraw/zinc/34/47/30/325344730.db2.gz RVQKKERVQLSLDB-LJQANCHMSA-N 1 0 368.485 2.241 20 30 FEEDRO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)Nc2ccc(OC(C)C)c(C#N)c2)C1 ZINC000119003747 326117505 /nfs/dbraw/zinc/11/75/05/326117505.db2.gz MQEOLMCSZDHVHU-QGZVFWFLSA-N 1 0 372.469 2.227 20 30 FEEDRO C[N@H+](CCCc1[nH]nc(N)c1C#N)[C@@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000121458143 326340232 /nfs/dbraw/zinc/34/02/32/326340232.db2.gz ZLVWQRYNASMBJH-MRXNPFEDSA-N 1 0 372.860 2.187 20 30 FEEDRO COC(=O)[C@H](c1cccnc1)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000121494718 326343046 /nfs/dbraw/zinc/34/30/46/326343046.db2.gz NLVYPYZGOVQWFA-FQEVSTJZSA-N 1 0 364.449 2.375 20 30 FEEDRO CCc1cc(N2CCC[C@@H]([NH2+]Cc3cnc4ccc(C#N)cn34)C2)ncn1 ZINC000123745232 326441580 /nfs/dbraw/zinc/44/15/80/326441580.db2.gz YPEPFTOGRJKYFC-QGZVFWFLSA-N 1 0 361.453 2.317 20 30 FEEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000133201117 326604818 /nfs/dbraw/zinc/60/48/18/326604818.db2.gz VLHIBJUQDNTKQS-UHFFFAOYSA-N 1 0 372.513 2.376 20 30 FEEDRO Cc1ccc([C@H](CNC(=O)C(=O)Nc2ccc(C#N)cc2F)[NH+](C)C)cc1 ZINC000136116835 326649999 /nfs/dbraw/zinc/64/99/99/326649999.db2.gz DPHGQNFTLKSFGE-SFHVURJKSA-N 1 0 368.412 2.363 20 30 FEEDRO CC[NH+]1CCC(NS(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)CC1 ZINC000154303998 326756487 /nfs/dbraw/zinc/75/64/87/326756487.db2.gz SECAPKYMXWSLTB-UHFFFAOYSA-N 1 0 361.389 2.340 20 30 FEEDRO N#Cc1ccc([C@H](O)CN2CC[NH+](CCCOCC(F)(F)F)CC2)cc1 ZINC000155704961 326801053 /nfs/dbraw/zinc/80/10/53/326801053.db2.gz FKCSZGOWBBIYLK-QGZVFWFLSA-N 1 0 371.403 2.178 20 30 FEEDRO C[C@@H]1CC(C)(C)C[C@@](CO)([NH2+]CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000156909683 326847917 /nfs/dbraw/zinc/84/79/17/326847917.db2.gz BRAGIEYZUVNYKX-BEFAXECRSA-N 1 0 364.511 2.499 20 30 FEEDRO N#Cc1cccc(/C=C/C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)c1 ZINC000160157210 326955277 /nfs/dbraw/zinc/95/52/77/326955277.db2.gz BTEKDVRFISKVSE-XIKIPACMSA-N 1 0 353.466 2.456 20 30 FEEDRO Cc1ccc(C#N)c(N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)n1 ZINC000160594888 326970823 /nfs/dbraw/zinc/97/08/23/326970823.db2.gz MDVAKZFWFPCMGT-UHFFFAOYSA-N 1 0 355.486 2.080 20 30 FEEDRO Cc1nc(C#N)c(N2CCN(C(=O)C[NH2+][C@@H]3CCCC[C@H]3C(C)C)CC2)o1 ZINC000162601133 327029580 /nfs/dbraw/zinc/02/95/80/327029580.db2.gz GKCFUFZIPDIOCW-DLBZAZTESA-N 1 0 373.501 2.308 20 30 FEEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000163632125 327055414 /nfs/dbraw/zinc/05/54/14/327055414.db2.gz ANXVBGSAQGFJHG-QGZVFWFLSA-N 1 0 372.513 2.280 20 30 FEEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc(N)nc(Cl)c1 ZINC000171206730 327124800 /nfs/dbraw/zinc/12/48/00/327124800.db2.gz SKFUZWHECQHSSC-UHFFFAOYSA-N 1 0 357.845 2.393 20 30 FEEDRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)NCc2ccc(C#N)cc2)CC1 ZINC000171617208 327148363 /nfs/dbraw/zinc/14/83/63/327148363.db2.gz MHFCAJAMCOYSDW-HDICACEKSA-N 1 0 369.513 2.258 20 30 FEEDRO Cc1ccc(C#N)cc1NC(=O)C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000171697158 327155629 /nfs/dbraw/zinc/15/56/29/327155629.db2.gz FCEBXAIYGJPXPI-KRWDZBQOSA-N 1 0 354.454 2.282 20 30 FEEDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N1CCN(c2ccc(C#N)cn2)CC1 ZINC000172154465 327184300 /nfs/dbraw/zinc/18/43/00/327184300.db2.gz WYSOLNXBVQHSMR-GOSISDBHSA-N 1 0 370.501 2.049 20 30 FEEDRO CC(C)[NH+]1CCC(C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)CC1 ZINC000172735946 327215898 /nfs/dbraw/zinc/21/58/98/327215898.db2.gz SRKYPQQPGIOUSN-UHFFFAOYSA-N 1 0 358.461 2.466 20 30 FEEDRO CC[NH+]1CCC(CCNC(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)CC1 ZINC000173198072 327240515 /nfs/dbraw/zinc/24/05/15/327240515.db2.gz XRXMNKICGOZDRU-UHFFFAOYSA-N 1 0 362.861 2.388 20 30 FEEDRO C[NH+](C)CCN(Cc1cccs1)C(=O)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000176111305 327435109 /nfs/dbraw/zinc/43/51/09/327435109.db2.gz CEMMZOCYAWPNEL-UHFFFAOYSA-N 1 0 374.441 2.288 20 30 FEEDRO Cc1cc(S(=O)(=O)N2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)ccc1C#N ZINC000262273699 328855724 /nfs/dbraw/zinc/85/57/24/328855724.db2.gz KTXXZVIMDYRNIR-MJGOQNOKSA-N 1 0 355.463 2.230 20 30 FEEDRO COCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(COc3ccccc3C#N)o2)C1 ZINC000264426822 329021747 /nfs/dbraw/zinc/02/17/47/329021747.db2.gz ADNDMEBAUWJPFA-MRXNPFEDSA-N 1 0 369.421 2.181 20 30 FEEDRO N#Cc1cccc(N2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)n1 ZINC000265475944 329131181 /nfs/dbraw/zinc/13/11/81/329131181.db2.gz BBZCJYMKQCFNRQ-GOSISDBHSA-N 1 0 362.481 2.387 20 30 FEEDRO COCC1(O)CC[NH+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000270411794 329598703 /nfs/dbraw/zinc/59/87/03/329598703.db2.gz XPEAXGAINQDTLM-UHFFFAOYSA-N 1 0 351.834 2.014 20 30 FEEDRO CO[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000275171840 330017982 /nfs/dbraw/zinc/01/79/82/330017982.db2.gz BDFJXNXYZBPBCM-DLBZAZTESA-N 1 0 353.426 2.230 20 30 FEEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+](CCO)C2CCC2)c1C#N ZINC000275875818 330099029 /nfs/dbraw/zinc/09/90/29/330099029.db2.gz PIVCQZHJZWROIA-UHFFFAOYSA-N 1 0 370.453 2.403 20 30 FEEDRO COCCOCCOCC[N@H+](C)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000276316375 330140221 /nfs/dbraw/zinc/14/02/21/330140221.db2.gz YAFNZBTYUOHPOK-UHFFFAOYSA-N 1 0 372.469 2.070 20 30 FEEDRO C#C[C@H](NC(=O)NCC[N@@H+](C)CCCOC)c1ccc(Cl)cc1F ZINC000805152724 674323449 /nfs/dbraw/zinc/32/34/49/674323449.db2.gz JTCWYGOWKWUFIQ-INIZCTEOSA-N 1 0 355.841 2.421 20 30 FEEDRO C=CCOc1ccc(C[NH2+]C[C@@H]2CCCCN2S(=O)(=O)N(C)C)cc1 ZINC000554722713 674332584 /nfs/dbraw/zinc/33/25/84/674332584.db2.gz BGDXINPMQACDRY-KRWDZBQOSA-N 1 0 367.515 2.002 20 30 FEEDRO O=C(C[N@H+]1CCCN(CC#Cc2cccc(Cl)c2)CC1)N1CCCC1 ZINC000156070229 545596088 /nfs/dbraw/zinc/59/60/88/545596088.db2.gz MQIVHMBEDKLIMR-UHFFFAOYSA-N 1 0 359.901 2.322 20 30 FEEDRO N#Cc1cc(F)ccc1S(=O)(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000157146142 545705299 /nfs/dbraw/zinc/70/52/99/545705299.db2.gz CVMPNXVZGMZJJM-INIZCTEOSA-N 1 0 351.447 2.336 20 30 FEEDRO C[NH+]=C(NCc1c(C)noc1C)NCc1ccc(-n2nc(C)cc2C)nc1 ZINC000157427544 545739895 /nfs/dbraw/zinc/73/98/95/545739895.db2.gz SEIRBSNLZCEUTP-UHFFFAOYSA-N 1 0 367.457 2.354 20 30 FEEDRO CN(Cc1cn(CCC#N)nc1-c1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000157562600 545755489 /nfs/dbraw/zinc/75/54/89/545755489.db2.gz ZQAKLGPNCXQJDE-KRWDZBQOSA-N 1 0 358.467 2.083 20 30 FEEDRO CC(C)Oc1ccc(NC(=O)N[C@H](C)CN2CC[NH+](C)CC2)cc1C#N ZINC000157873397 545793751 /nfs/dbraw/zinc/79/37/51/545793751.db2.gz GOSMLZMPOCSYAG-OAHLLOKOSA-N 1 0 359.474 2.103 20 30 FEEDRO Cc1cc(C[C@@H](C)NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)[nH]n1 ZINC000158260096 545840932 /nfs/dbraw/zinc/84/09/32/545840932.db2.gz JGZJSJSXXZYDQU-OAHLLOKOSA-N 1 0 368.485 2.294 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCc1cscn1 ZINC000159331373 545943227 /nfs/dbraw/zinc/94/32/27/545943227.db2.gz BCMYAHKACGMLLX-UHFFFAOYSA-N 1 0 357.483 2.331 20 30 FEEDRO COc1c[nH+]ccc1N1CCN(C(=O)[C@@H](C)Oc2ccc(C#N)cc2)CC1 ZINC000478465995 561167623 /nfs/dbraw/zinc/16/76/23/561167623.db2.gz DHFKCNIUZHBVPK-OAHLLOKOSA-N 1 0 366.421 2.078 20 30 FEEDRO C[N@@H+](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)C[C@H]1CCC[C@@H]1O ZINC000159857213 545986161 /nfs/dbraw/zinc/98/61/61/545986161.db2.gz LJPLQPYLDRWESM-WBVHZDCISA-N 1 0 368.399 2.266 20 30 FEEDRO C[C@@H]1C[C@@H](N(C)S(=O)(=O)N(C)CCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000160003614 545999719 /nfs/dbraw/zinc/99/97/19/545999719.db2.gz SAVRIAWBNAVQCG-AEFFLSMTSA-N 1 0 364.515 2.062 20 30 FEEDRO CC1CC[NH+](C2CCC(NS(=O)(=O)c3ccc(C#N)nc3)CC2)CC1 ZINC000160976601 546090152 /nfs/dbraw/zinc/09/01/52/546090152.db2.gz ZOWBNAHJGWPUGE-UHFFFAOYSA-N 1 0 362.499 2.275 20 30 FEEDRO CCC(=O)N1CC[C@H](NC(NCc2ccc(Br)s2)=[NH+]C)C1 ZINC000161222828 546110918 /nfs/dbraw/zinc/11/09/18/546110918.db2.gz MKJHOCQYECLRKL-JTQLQIEISA-N 1 0 373.320 2.187 20 30 FEEDRO Cn1cnc(-c2cccc(NC(=O)N(CCC#N)CCC[NH+](C)C)c2)n1 ZINC000161522008 546131791 /nfs/dbraw/zinc/13/17/91/546131791.db2.gz VRMBOIJBBUZOEF-UHFFFAOYSA-N 1 0 355.446 2.181 20 30 FEEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000161738431 546134549 /nfs/dbraw/zinc/13/45/49/546134549.db2.gz WESROVPJWYVXOB-GOSISDBHSA-N 1 0 359.518 2.440 20 30 FEEDRO N#CC1(NC(=O)c2ccc3nncn3c2)CC[NH+](Cc2ccccc2)CC1 ZINC000479241649 561185716 /nfs/dbraw/zinc/18/57/16/561185716.db2.gz JMJHXORVNJRUDB-UHFFFAOYSA-N 1 0 360.421 2.017 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cc(C#N)ccc2OCC)CC1 ZINC000171621035 546216202 /nfs/dbraw/zinc/21/62/02/546216202.db2.gz HWCSINUBULSVTI-UHFFFAOYSA-N 1 0 370.453 2.052 20 30 FEEDRO CN(C(=O)CCC(=O)N(CCC#N)c1ccccc1)C1CC[NH+](C)CC1 ZINC000171667981 546218505 /nfs/dbraw/zinc/21/85/05/546218505.db2.gz OCUZEBFXEXBWCD-UHFFFAOYSA-N 1 0 356.470 2.266 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N2CCCN(c3ccccc3C#N)CC2)CC1 ZINC000171740598 546223654 /nfs/dbraw/zinc/22/36/54/546223654.db2.gz ULLMRLHIVLQHDN-UHFFFAOYSA-N 1 0 367.497 2.430 20 30 FEEDRO C=CCCO[C@H](C)C(=O)Nc1ccc(OCCN2CC[NH+](C)CC2)cc1 ZINC000174037338 546289931 /nfs/dbraw/zinc/28/99/31/546289931.db2.gz BRRQXSFRXNYTMO-QGZVFWFLSA-N 1 0 361.486 2.233 20 30 FEEDRO Cc1cc(N2CC[C@H]([NH2+]Cc3cccc(OCCCC#N)c3)C2=O)n(C)n1 ZINC000174620288 546299942 /nfs/dbraw/zinc/29/99/42/546299942.db2.gz LIUKALRWHFAQHQ-SFHVURJKSA-N 1 0 367.453 2.306 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N[C@@H](C)c2ccc3c(c2)O[C@H](CC)C(=O)N3)CC1 ZINC000174922621 546304867 /nfs/dbraw/zinc/30/48/67/546304867.db2.gz AQEQWLPMJBZPEH-KBXCAEBGSA-N 1 0 369.465 2.319 20 30 FEEDRO Cc1cc(N2CCC(NC(=O)NCc3ccc(C#N)cc3)CC2)nc(C)n1 ZINC000175755607 546344208 /nfs/dbraw/zinc/34/42/08/546344208.db2.gz SBQSHCACPLABBB-UHFFFAOYSA-N 1 0 364.453 2.433 20 30 FEEDRO C[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(C#N)nc2)CC[N@@H+]1Cc1ccccc1 ZINC000175846926 546362068 /nfs/dbraw/zinc/36/20/68/546362068.db2.gz DYBAYYPEAXGCIB-WBVHZDCISA-N 1 0 370.478 2.285 20 30 FEEDRO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccc(F)cc1C#N)c1cccc(F)c1 ZINC000175940569 546376913 /nfs/dbraw/zinc/37/69/13/546376913.db2.gz YWJBDESFBIGZHC-QGZVFWFLSA-N 1 0 372.375 2.194 20 30 FEEDRO C[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccccc1C#Cc1ccccc1 ZINC000176039576 546394874 /nfs/dbraw/zinc/39/48/74/546394874.db2.gz PKIVPNOUMUGHKH-IBGZPJMESA-N 1 0 361.445 2.235 20 30 FEEDRO Cn1cc(C[NH2+]Cc2ccccc2CS(=O)(=O)N2CCCC2)cc1C#N ZINC000480304138 561206669 /nfs/dbraw/zinc/20/66/69/561206669.db2.gz BFJCNFRQZVYKAQ-UHFFFAOYSA-N 1 0 372.494 2.112 20 30 FEEDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)N2CCN(c3ccccc3C#N)CC2)C1 ZINC000176638898 546471427 /nfs/dbraw/zinc/47/14/27/546471427.db2.gz SJLXLNSWSZERFO-QZTJIDSGSA-N 1 0 355.486 2.263 20 30 FEEDRO C[C@@H](C1CC[NH+](C)CC1)N(C)S(=O)(=O)Cc1ccc(C#N)cc1F ZINC000480720828 561215236 /nfs/dbraw/zinc/21/52/36/561215236.db2.gz LBCLCGWWONUEBW-ZDUSSCGKSA-N 1 0 353.463 2.189 20 30 FEEDRO CC(C)OCC[NH+]1CCC(N[C@H](C)C(=O)Nc2ccccc2C#N)CC1 ZINC000177491712 546630223 /nfs/dbraw/zinc/63/02/23/546630223.db2.gz GUXZKQSGVKLJKN-MRXNPFEDSA-N 1 0 358.486 2.364 20 30 FEEDRO C[NH+](C)[C@H]1CCCN(C(=O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C1 ZINC000177534274 546639200 /nfs/dbraw/zinc/63/92/00/546639200.db2.gz HKCSXQAFPALCGP-ZDUSSCGKSA-N 1 0 368.359 2.068 20 30 FEEDRO C=CCN(Cc1ccccc1)C(=O)C(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000481132558 561225809 /nfs/dbraw/zinc/22/58/09/561225809.db2.gz XKEVSYTVPAMXTM-QZTJIDSGSA-N 1 0 357.498 2.438 20 30 FEEDRO Cc1c(C#N)cccc1NC(=O)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000178420716 546790865 /nfs/dbraw/zinc/79/08/65/546790865.db2.gz MODIXNYCZSNIRE-UHFFFAOYSA-N 1 0 350.422 2.183 20 30 FEEDRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)Nc2cccc(C#N)c2C)CC1=O ZINC000178625869 546821977 /nfs/dbraw/zinc/82/19/77/546821977.db2.gz BSRIZBVBJMJJPE-IAGOWNOFSA-N 1 0 354.454 2.138 20 30 FEEDRO C[C@H]([NH2+]CCCCC#N)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000178649482 546827301 /nfs/dbraw/zinc/82/73/01/546827301.db2.gz MZDIRILCCNHNTA-HNNXBMFYSA-N 1 0 351.472 2.052 20 30 FEEDRO C=CCOC[C@H](N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12)C(=O)OC ZINC000482440152 561253925 /nfs/dbraw/zinc/25/39/25/561253925.db2.gz PYSAZGUZYINYDA-WTGUMLROSA-N 1 0 358.482 2.231 20 30 FEEDRO C[C@H](C#N)Oc1ccccc1NC(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000180014690 547039576 /nfs/dbraw/zinc/03/95/76/547039576.db2.gz PCDGJHDWELOOQS-OAHLLOKOSA-N 1 0 359.474 2.125 20 30 FEEDRO CC[NH+]1CCN([C@H]2CCN(C(=O)Nc3ccccc3O[C@H](C)C#N)C2)CC1 ZINC000180037774 547041821 /nfs/dbraw/zinc/04/18/21/547041821.db2.gz DOUXVDFBCUOASB-SJORKVTESA-N 1 0 371.485 2.221 20 30 FEEDRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)C(=O)Nc1ccc(C#N)cc1 ZINC000180897458 547205499 /nfs/dbraw/zinc/20/54/99/547205499.db2.gz ANOPMGCAYZWOJZ-OAHLLOKOSA-N 1 0 350.422 2.133 20 30 FEEDRO C[C@H]([NH2+]CC(=O)N[C@@](C)(C#N)C1CC1)c1ccc(N2CCOC2=O)cc1 ZINC000181268737 547283441 /nfs/dbraw/zinc/28/34/41/547283441.db2.gz DPGFXNZKXJXXQI-DJJJIMSYSA-N 1 0 356.426 2.102 20 30 FEEDRO N#Cc1cc(C(=O)NCCC[NH+]2CCN(c3cccc(Cl)c3)CC2)c[nH]1 ZINC000181286209 547285787 /nfs/dbraw/zinc/28/57/87/547285787.db2.gz MBVSXMSFYPEKKP-UHFFFAOYSA-N 1 0 371.872 2.482 20 30 FEEDRO CC(C)[NH+](CCNC(=O)C(=O)Nc1ccccc1O[C@H](C)C#N)C(C)C ZINC000181647846 547352068 /nfs/dbraw/zinc/35/20/68/547352068.db2.gz OGQDCFZFBQGSAC-OAHLLOKOSA-N 1 0 360.458 2.151 20 30 FEEDRO CC(C)C[C@H](CNC(=O)C(=O)Nc1ccccc1O[C@@H](C)C#N)[NH+](C)C ZINC000181661205 547355152 /nfs/dbraw/zinc/35/51/52/547355152.db2.gz URFUJJMEVJWBFH-LSDHHAIUSA-N 1 0 360.458 2.008 20 30 FEEDRO C=CCCO[C@H](C)C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000483497625 561278472 /nfs/dbraw/zinc/27/84/72/561278472.db2.gz UVIHFRQYXJOCDZ-WBVHZDCISA-N 1 0 359.470 2.304 20 30 FEEDRO CCCC[NH+]1CCC(NC(=O)C(=O)Nc2ccccc2O[C@@H](C)C#N)CC1 ZINC000181867438 547394520 /nfs/dbraw/zinc/39/45/20/547394520.db2.gz YSMSPZCPTQZDMG-HNNXBMFYSA-N 1 0 372.469 2.297 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)Nc1cccc2c1CCO2)C(C)C ZINC000483569130 561279844 /nfs/dbraw/zinc/27/98/44/561279844.db2.gz OYVBUZKMBZOBFR-GOSISDBHSA-N 1 0 371.481 2.375 20 30 FEEDRO CC[NH+](CC)C[C@H]1CCN(C(=O)C(=O)Nc2ccccc2O[C@@H](C)C#N)C1 ZINC000181880933 547397252 /nfs/dbraw/zinc/39/72/52/547397252.db2.gz CETIAYYZIFJHEG-JKSUJKDBSA-N 1 0 372.469 2.106 20 30 FEEDRO C[C@H]([NH2+]C1CCN(S(=O)(=O)C2CC2)CC1)c1ccc(OCC#N)cc1 ZINC000182009796 547421349 /nfs/dbraw/zinc/42/13/49/547421349.db2.gz JMRXBJYEATXUMW-AWEZNQCLSA-N 1 0 363.483 2.196 20 30 FEEDRO C[C@@H]([NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1)c1cccc(C#N)c1 ZINC000182062141 547430362 /nfs/dbraw/zinc/43/03/62/547430362.db2.gz XUAVSVPUSXWGJY-IUODEOHRSA-N 1 0 350.465 2.105 20 30 FEEDRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1c[nH]c(C#N)c1 ZINC000182253525 547461165 /nfs/dbraw/zinc/46/11/65/547461165.db2.gz XSMZFYYQPWTLIK-UHFFFAOYSA-N 1 0 353.426 2.289 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)NCC2(C(=O)OC)CCCCC2)CC1 ZINC000182518012 547506408 /nfs/dbraw/zinc/50/64/08/547506408.db2.gz RFAHFCQFICPTKZ-UHFFFAOYSA-N 1 0 351.491 2.450 20 30 FEEDRO Cc1nccn1-c1ccc([C@H](C)[NH2+]CC(=O)N(CCC#N)CCC#N)cc1 ZINC000183157985 547612635 /nfs/dbraw/zinc/61/26/35/547612635.db2.gz UMUATTJIOSXODF-INIZCTEOSA-N 1 0 364.453 2.487 20 30 FEEDRO CC1([C@@H]2CCC[N@H+](CC(=O)N(CCC#N)c3ccccc3)C2)OCCO1 ZINC000183842355 547728239 /nfs/dbraw/zinc/72/82/39/547728239.db2.gz CFEOWHDZIOEFQX-QGZVFWFLSA-N 1 0 357.454 2.408 20 30 FEEDRO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCOCC2(CCOCC2)C1 ZINC000184072274 547763816 /nfs/dbraw/zinc/76/38/16/547763816.db2.gz QZNKGVBNBLYQCG-LJQANCHMSA-N 1 0 361.482 2.284 20 30 FEEDRO C=CCOc1cc(OC)ccc1C(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1 ZINC000184414233 547822537 /nfs/dbraw/zinc/82/25/37/547822537.db2.gz LMFCPMWIMOEKOE-INIZCTEOSA-N 1 0 361.486 2.016 20 30 FEEDRO COC(=O)c1cn(C2CC[NH+](Cc3ccc(O[C@H](C)C#N)cc3)CC2)nn1 ZINC000184756086 547875702 /nfs/dbraw/zinc/87/57/02/547875702.db2.gz ZUGUDWTVNDXTHC-CQSZACIVSA-N 1 0 369.425 2.193 20 30 FEEDRO C=C(C)[C@@H](NC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1)c1ccc(F)c(F)c1 ZINC000184853477 547887389 /nfs/dbraw/zinc/88/73/89/547887389.db2.gz IMRTYYUJGQKBFP-RDTXWAMCSA-N 1 0 365.424 2.108 20 30 FEEDRO C#CCC(C)(C)C(=O)N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000185353608 547974565 /nfs/dbraw/zinc/97/45/65/547974565.db2.gz WCOJPNWYELHPRF-IBGZPJMESA-N 1 0 368.525 2.492 20 30 FEEDRO COc1cc(C#N)ccc1S(=O)(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000185463076 547988884 /nfs/dbraw/zinc/98/88/84/547988884.db2.gz MYZCBBBELPWPGA-HUUCEWRRSA-N 1 0 365.499 2.213 20 30 FEEDRO COc1cc(C#N)ccc1S(=O)(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000185491406 547992115 /nfs/dbraw/zinc/99/21/15/547992115.db2.gz AZCHKXWEZKNXHT-KRWDZBQOSA-N 1 0 373.478 2.018 20 30 FEEDRO C=CC[C@H](CO)NC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000185785797 548035942 /nfs/dbraw/zinc/03/59/42/548035942.db2.gz GBFOIELMAAWQBU-NVXWUHKLSA-N 1 0 356.388 2.494 20 30 FEEDRO C[N@H+](Cc1ccccc1)[C@H](CNS(=O)(=O)c1ccc(C#N)nc1)C1CC1 ZINC000186071530 548080098 /nfs/dbraw/zinc/08/00/98/548080098.db2.gz CPFAAEFANJGZID-LJQANCHMSA-N 1 0 370.478 2.142 20 30 FEEDRO N#C[C@@H](c1cccs1)N1CCN(C(=O)C[N@@H+]2CCCC3(CC3)C2)CC1 ZINC000186972684 548231379 /nfs/dbraw/zinc/23/13/79/548231379.db2.gz GQQGDDJNYQUOPC-INIZCTEOSA-N 1 0 358.511 2.333 20 30 FEEDRO C#CCOc1ccccc1NC(=O)N1CCCC[C@H]([NH+]2CCN(C)CC2)C1 ZINC000188074883 548270763 /nfs/dbraw/zinc/27/07/63/548270763.db2.gz HGPBETBSIIWMLK-SFHVURJKSA-N 1 0 370.497 2.332 20 30 FEEDRO C=C[C@@](C)(CCOC)C(=O)Nc1cccc(CN2CCC[C@@H]2C(N)=O)c1 ZINC000188349599 548278046 /nfs/dbraw/zinc/27/80/46/548278046.db2.gz BGPSUGLJZBXHSL-XLIONFOSSA-N 1 0 359.470 2.304 20 30 FEEDRO C=CC[C@H](C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)c1ccccc1 ZINC000189121404 548295199 /nfs/dbraw/zinc/29/51/99/548295199.db2.gz FODYKUPBUDEVOC-IBGZPJMESA-N 1 0 355.482 2.113 20 30 FEEDRO CCSc1cccc(NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C)c1 ZINC000189998077 548315433 /nfs/dbraw/zinc/31/54/33/548315433.db2.gz JDTDVIZLQZPMAY-UHFFFAOYSA-N 1 0 362.499 2.431 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N[C@H]2CCCO[C@@H]2c2nccn2CC)CC1 ZINC000190175477 548319435 /nfs/dbraw/zinc/31/94/35/548319435.db2.gz PBFFQEWILNSBRF-IRXDYDNUSA-N 1 0 361.490 2.073 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(Cl)nc2C)CC1 ZINC000192893893 548375387 /nfs/dbraw/zinc/37/53/87/548375387.db2.gz ANPZODCZUFUQAM-UHFFFAOYSA-N 1 0 350.850 2.139 20 30 FEEDRO C[NH+]1CCN(Cc2ccc(CNC(=O)Cc3ccc(C#N)cc3)cc2)CC1 ZINC000195182433 548591778 /nfs/dbraw/zinc/59/17/78/548591778.db2.gz FFDFQPWMILOOSF-UHFFFAOYSA-N 1 0 362.477 2.165 20 30 FEEDRO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000227905109 548753245 /nfs/dbraw/zinc/75/32/45/548753245.db2.gz HRQLXCHWRWNRJN-WMLDXEAASA-N 1 0 354.454 2.123 20 30 FEEDRO C=CC1CCN(C(=O)C[C@@]2(C(=O)N3CCC(C=C)CC3)CC[NH2+]C2)CC1 ZINC000236652848 548771205 /nfs/dbraw/zinc/77/12/05/548771205.db2.gz CYTSCVVBIMASKP-NRFANRHFSA-N 1 0 359.514 2.205 20 30 FEEDRO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000245385385 548902997 /nfs/dbraw/zinc/90/29/97/548902997.db2.gz CIIRGKNSCHUOQP-DZGCQCFKSA-N 1 0 356.401 2.193 20 30 FEEDRO COc1cc(C#N)ccc1OCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000245438557 548920041 /nfs/dbraw/zinc/92/00/41/548920041.db2.gz FLHDEUFRTCECKI-SJORKVTESA-N 1 0 357.454 2.419 20 30 FEEDRO N#Cc1ccc(N2CC[C@H](N3CC[C@@H](C[NH+]4CCCCC4)C3)C2=O)cc1 ZINC000245453215 548925417 /nfs/dbraw/zinc/92/54/17/548925417.db2.gz QZEZPNFPIZKYKZ-ICSRJNTNSA-N 1 0 352.482 2.471 20 30 FEEDRO Cc1ccc(-n2cnc3c2CCN([C@@H](C)C(=O)N(C)CCC#N)C3)cc1 ZINC000487983642 561380686 /nfs/dbraw/zinc/38/06/86/561380686.db2.gz WODMHEADKYJVCB-INIZCTEOSA-N 1 0 351.454 2.299 20 30 FEEDRO C=CCc1ccc(OC[C@@H](O)CN2CC[N@H+](C)[C@@H](C(C)C)C2)c(OC)c1 ZINC000487995898 561380866 /nfs/dbraw/zinc/38/08/66/561380866.db2.gz BFIVFGZIPXPCLE-RBUKOAKNSA-N 1 0 362.514 2.435 20 30 FEEDRO N#Cc1ccc(CC(=O)N[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2CO)cc1 ZINC000245570511 548948562 /nfs/dbraw/zinc/94/85/62/548948562.db2.gz ANQPKXGONPBXGC-SFTDATJTSA-N 1 0 363.461 2.100 20 30 FEEDRO CCC[C@H]1CN(C(=O)[C@H](C)Oc2ccccc2C#N)CC[N@@H+]1CCOC ZINC000245925596 549021697 /nfs/dbraw/zinc/02/16/97/549021697.db2.gz OOSVERXLFGRYLM-WMZOPIPTSA-N 1 0 359.470 2.285 20 30 FEEDRO Cc1cc(C[NH+]2CCC(CNC(=O)c3cnn(C)c3)CC2)ccc1C#N ZINC000488441970 561390047 /nfs/dbraw/zinc/39/00/47/561390047.db2.gz LUHRERAHBZGKJS-UHFFFAOYSA-N 1 0 351.454 2.242 20 30 FEEDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)COc2ccccc2C#N)[C@@H](C)C1 ZINC000246674285 549187001 /nfs/dbraw/zinc/18/70/01/549187001.db2.gz BRMFZICHDZOYPI-WMZOPIPTSA-N 1 0 359.470 2.190 20 30 FEEDRO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1 ZINC000248371947 549423797 /nfs/dbraw/zinc/42/37/97/549423797.db2.gz ZHQXORUVNGGVFI-DLBZAZTESA-N 1 0 371.485 2.049 20 30 FEEDRO C=CCCCS(=O)(=O)N1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000489583060 561414781 /nfs/dbraw/zinc/41/47/81/561414781.db2.gz WTGJPRRQMKQGRJ-CALCHBBNSA-N 1 0 358.548 2.494 20 30 FEEDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NS(=O)(=O)Cc1cccc(C#N)c1 ZINC000248699492 549485898 /nfs/dbraw/zinc/48/58/98/549485898.db2.gz AAQFAISRYNUHQN-OXQOHEQNSA-N 1 0 369.490 2.498 20 30 FEEDRO C[C@@H]1CN(CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)[C@@H](C)CO1 ZINC000249059888 549545102 /nfs/dbraw/zinc/54/51/02/549545102.db2.gz PQNJNABWOIXZJB-UONOGXRCSA-N 1 0 354.372 2.282 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1F ZINC000489806006 561419473 /nfs/dbraw/zinc/41/94/73/561419473.db2.gz PJDZWLJXXNWWPX-INIZCTEOSA-N 1 0 373.453 2.498 20 30 FEEDRO CCCCNC(=O)[C@@H]1CCC[N@@H+]([C@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000250424709 549641770 /nfs/dbraw/zinc/64/17/70/549641770.db2.gz FFABCAPEPAOCIT-IAGOWNOFSA-N 1 0 362.518 2.346 20 30 FEEDRO Cc1nc(C)n(C[C@@H]2CCC[N@@H+]([C@H](C)C(=O)NC3(C#N)CCCCC3)C2)n1 ZINC000252353385 549664365 /nfs/dbraw/zinc/66/43/65/549664365.db2.gz WVXZNLVBKIKZIL-CRAIPNDOSA-N 1 0 372.517 2.338 20 30 FEEDRO Cc1nc(C)n(C[C@H]2CCC[N@@H+]([C@H](C)C(=O)NC3(C#N)CCCCC3)C2)n1 ZINC000252353386 549664573 /nfs/dbraw/zinc/66/45/73/549664573.db2.gz WVXZNLVBKIKZIL-QAPCUYQASA-N 1 0 372.517 2.338 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N[C@@H]2CCN(C)[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000252736475 549678563 /nfs/dbraw/zinc/67/85/63/549678563.db2.gz VQTZYKUKMUBYEY-RTBURBONSA-N 1 0 361.436 2.171 20 30 FEEDRO CC[C@H]1CC[N@H+](CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)C1 ZINC000252733894 549678620 /nfs/dbraw/zinc/67/86/20/549678620.db2.gz SYBPTQYLERBKEK-QFBILLFUSA-N 1 0 358.461 2.266 20 30 FEEDRO C[NH+]=C(NC[C@H]1CCOC1)N[C@@H]1CCN(c2cc(Cl)ccc2OC)C1 ZINC000261610672 549734106 /nfs/dbraw/zinc/73/41/06/549734106.db2.gz ARFGQNXDVHSCSW-UKRRQHHQSA-N 1 0 366.893 2.129 20 30 FEEDRO CC[S@](=O)[C@H]1CCC[C@H](NC(NCc2ccc3c(c2)OCO3)=[NH+]C)C1 ZINC000261669747 549740993 /nfs/dbraw/zinc/74/09/93/549740993.db2.gz GPUKVNCYYHJMNB-XHQUFGICSA-N 1 0 365.499 2.160 20 30 FEEDRO CCC(=O)N1CC[C@@H](NC(NCc2coc(-c3cccs3)n2)=[NH+]C)C1 ZINC000261963780 549774411 /nfs/dbraw/zinc/77/44/11/549774411.db2.gz KYEZODLKPFMSFU-GFCCVEGCSA-N 1 0 361.471 2.079 20 30 FEEDRO CC[NH+]=C(NCc1c(C)nn(C)c1C)N1CC[C@H](Oc2ccccn2)C1 ZINC000261978267 549776565 /nfs/dbraw/zinc/77/65/65/549776565.db2.gz OFHBEKAMIQDIAX-INIZCTEOSA-N 1 0 356.474 2.051 20 30 FEEDRO [NH2+]=C(NCc1cccnc1N1CCOCC1)Nc1ccc2c(c1)CCC2 ZINC000261992737 549778075 /nfs/dbraw/zinc/77/80/75/549778075.db2.gz MSARNCJLNGOGQO-UHFFFAOYSA-N 1 0 351.454 2.334 20 30 FEEDRO CCc1nn(C)c(CC)c1CNC(=[NH+]C)N1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000261995300 549778213 /nfs/dbraw/zinc/77/82/13/549778213.db2.gz SFVAGTFEMFHHRU-DNVCBOLYSA-N 1 0 371.533 2.400 20 30 FEEDRO C[NH+]=C(NCc1nnc(C)n1C)N1CC[C@H](CSc2ccccc2)C1 ZINC000262007604 549779816 /nfs/dbraw/zinc/77/98/16/549779816.db2.gz VYCXVERCZIKLQA-HNNXBMFYSA-N 1 0 358.515 2.313 20 30 FEEDRO C[NH+]=C(NCc1cn2c(n1)CCCC2)N1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000262014484 549780601 /nfs/dbraw/zinc/78/06/01/549780601.db2.gz XKYQYUQAVIWUGO-WBVHZDCISA-N 1 0 355.490 2.074 20 30 FEEDRO C[NH+]=C(NCc1cn2ccccc2n1)N1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000262026502 549781615 /nfs/dbraw/zinc/78/16/15/549781615.db2.gz ZUNYXVCSLMMNFR-RDJZCZTQSA-N 1 0 351.458 2.189 20 30 FEEDRO C=CCNC(=[NH+]C[C@H]1CCS(=O)(=O)C1)N1CC[C@@H](c2ccccc2)C1 ZINC000262382727 549815434 /nfs/dbraw/zinc/81/54/34/549815434.db2.gz KSLRATGLLUHKSD-SJLPKXTDSA-N 1 0 361.511 2.042 20 30 FEEDRO C[NH+]=C(NC[C@H](c1cccs1)N(C)C)N1CC[C@H](c2cnn(C)c2)C1 ZINC000262437133 549819389 /nfs/dbraw/zinc/81/93/89/549819389.db2.gz GOZVRCWPNNFGBD-GOEBONIOSA-N 1 0 360.531 2.149 20 30 FEEDRO [NH2+]=C(NCc1ccccc1N1CCOCC1)N[C@@H]1CCOc2ccccc21 ZINC000262532394 549826288 /nfs/dbraw/zinc/82/62/88/549826288.db2.gz PUPFUULJKQWUBH-GOSISDBHSA-N 1 0 366.465 2.451 20 30 FEEDRO C#CCNC(NCC1(c2ccc(Br)cc2)CCOCC1)=[NH+]C ZINC000262622808 549833302 /nfs/dbraw/zinc/83/33/02/549833302.db2.gz HFLMRQNOUIUQMR-UHFFFAOYSA-N 1 0 364.287 2.296 20 30 FEEDRO C[NH+]=C(NC[C@H]1CCc2nnc(C)n2C1)NCC1(c2cccc(F)c2)CC1 ZINC000262769516 549847750 /nfs/dbraw/zinc/84/77/50/549847750.db2.gz ILIZQRUGJOVFJC-OAHLLOKOSA-N 1 0 370.476 2.185 20 30 FEEDRO C[NH+]=C(NCC#Cc1ccccc1)N1CCS(=O)(=O)C2(CCCCC2)C1 ZINC000262803846 549851768 /nfs/dbraw/zinc/85/17/68/549851768.db2.gz SAMSDLGHAHPTLM-UHFFFAOYSA-N 1 0 373.522 2.047 20 30 FEEDRO C=C(C)CNC(=[NH+]C[C@H]1CCS(=O)(=O)C1)N1CCc2ccccc2C1 ZINC000263225713 549887291 /nfs/dbraw/zinc/88/72/91/549887291.db2.gz GKASCGZBEUGWNG-MRXNPFEDSA-N 1 0 361.511 2.001 20 30 FEEDRO COc1ccccc1CNC(=[NH2+])NCc1cccc(C(=O)NC2CC2)c1 ZINC000264064057 549974801 /nfs/dbraw/zinc/97/48/01/549974801.db2.gz AOKMVAOUQWIVQX-UHFFFAOYSA-N 1 0 352.438 2.192 20 30 FEEDRO CCOC(=O)N1CCC(NC(=[NH2+])NCc2cc(-c3ccccc3)no2)CC1 ZINC000264084740 549977194 /nfs/dbraw/zinc/97/71/94/549977194.db2.gz IXJKGXRDFOEKSO-UHFFFAOYSA-N 1 0 371.441 2.367 20 30 FEEDRO COc1ccc(CNC(=[NH2+])NC[C@H](c2ccccc2)N(C)C)cc1OC ZINC000264093305 549978594 /nfs/dbraw/zinc/97/85/94/549978594.db2.gz LKUTZZKTDLRDMW-QGZVFWFLSA-N 1 0 356.470 2.411 20 30 FEEDRO COc1ccc(CNC(=[NH2+])NC[C@@H](c2cccs2)N(C)C)cc1OC ZINC000264121031 549981152 /nfs/dbraw/zinc/98/11/52/549981152.db2.gz QZMHKGCDELAYBV-AWEZNQCLSA-N 1 0 362.499 2.473 20 30 FEEDRO C[NH+](C)CCOc1ccc(CCNc2ncc([N+](=O)[O-])cc2C#N)cc1 ZINC000264170829 549987604 /nfs/dbraw/zinc/98/76/04/549987604.db2.gz WQRBTCSNIJHNID-UHFFFAOYSA-N 1 0 355.398 2.456 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)Nc2cc(C(C)(C)C)nn2-c2ncccn2)CC1 ZINC000264174858 549988164 /nfs/dbraw/zinc/98/81/64/549988164.db2.gz OMXDKZJXIYNNFY-UHFFFAOYSA-N 1 0 366.469 2.244 20 30 FEEDRO CC(=O)N1CCN(c2ccccc2CNC(=[NH2+])NC2CCCCC2)CC1 ZINC000264232874 549992997 /nfs/dbraw/zinc/99/29/97/549992997.db2.gz CNDGIZNIGFNDDX-UHFFFAOYSA-N 1 0 357.502 2.092 20 30 FEEDRO N#CCOc1cccc(NC(=O)NCC2([NH+]3CCCC3)CCOCC2)c1 ZINC000264292104 549993605 /nfs/dbraw/zinc/99/36/05/549993605.db2.gz ZFRJQWVZEHMRKQ-UHFFFAOYSA-N 1 0 358.442 2.355 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)CCCc1nc2ccccc2c(=O)[nH]1 ZINC000264278861 549993927 /nfs/dbraw/zinc/99/39/27/549993927.db2.gz UPWKDCJNHUOZDQ-UHFFFAOYSA-N 1 0 369.469 2.352 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CC(=O)N(c3ccccc3F)C2)CC1 ZINC000264309550 549993963 /nfs/dbraw/zinc/99/39/63/549993963.db2.gz AIUWGECXTIMBHE-OAHLLOKOSA-N 1 0 359.445 2.335 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(C)c(-n3cnnn3)c2)CC1 ZINC000264336588 549994346 /nfs/dbraw/zinc/99/43/46/549994346.db2.gz ASONJNAJNJFUHD-UHFFFAOYSA-N 1 0 355.446 2.133 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)NC[C@H]2CCN(c3cccc(OC)c3)C2)CC1 ZINC000264332322 549994506 /nfs/dbraw/zinc/99/45/06/549994506.db2.gz FOVVODWVNJGSAH-QGZVFWFLSA-N 1 0 372.513 2.471 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)NCCc2cnn(-c3ccccc3)c2)CC1 ZINC000264370285 549995340 /nfs/dbraw/zinc/99/53/40/549995340.db2.gz GJSIHOXIBOQMIA-UHFFFAOYSA-N 1 0 353.470 2.364 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)NCC(=O)N(CC)Cc2ccccc2)CC1 ZINC000264418331 549995915 /nfs/dbraw/zinc/99/59/15/549995915.db2.gz VWSUHBYNQCDZJL-UHFFFAOYSA-N 1 0 372.513 2.375 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)CC1 ZINC000264682423 549999483 /nfs/dbraw/zinc/99/94/83/549999483.db2.gz LAZTWNAMTRZDHF-LJQANCHMSA-N 1 0 356.466 2.245 20 30 FEEDRO CNC(=O)[C@@H]1CCC[N@@H+]([C@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)C1 ZINC000264735119 550000296 /nfs/dbraw/zinc/00/02/96/550000296.db2.gz QIEOVSIBOGYLBF-IAGOWNOFSA-N 1 0 356.470 2.088 20 30 FEEDRO C#CCNC(=O)c1ccc(NC[C@@H](c2cccc(OC)c2)[NH+](C)C)nc1 ZINC000264908741 550003605 /nfs/dbraw/zinc/00/36/05/550003605.db2.gz SVHKMWFZRFBLNU-SFHVURJKSA-N 1 0 352.438 2.168 20 30 FEEDRO C#CCSCC[NH2+]Cc1ccc(O[C@H](C)C(=O)N(C)C)c(OCC)c1 ZINC000265742441 550013808 /nfs/dbraw/zinc/01/38/08/550013808.db2.gz FHZMZTUUEDMCIF-OAHLLOKOSA-N 1 0 364.511 2.397 20 30 FEEDRO COCCCOC1CCN(CC(=O)N(CCC#N)c2ccccc2)CC1 ZINC000266014961 550015894 /nfs/dbraw/zinc/01/58/94/550015894.db2.gz UGTQUKVVVMTSSD-UHFFFAOYSA-N 1 0 359.470 2.451 20 30 FEEDRO C=CCN(CC=C)C(=O)C[NH+]1CCC(C(=O)Nc2ccc(O)cc2)CC1 ZINC000265993639 550016221 /nfs/dbraw/zinc/01/62/21/550016221.db2.gz KNGLMCHVVSDKQJ-UHFFFAOYSA-N 1 0 357.454 2.243 20 30 FEEDRO N#CCCN(CCC#N)C(=O)C[N@@H+](CCCO)[C@@H]1CCCc2ccccc21 ZINC000266848385 550024530 /nfs/dbraw/zinc/02/45/30/550024530.db2.gz BHBSINUPRTUBHW-HXUWFJFHSA-N 1 0 368.481 2.404 20 30 FEEDRO C[NH+](C)Cc1ccc(C(N)=NOCC(=O)N2CCc3sccc3C2)cc1 ZINC000267024883 550026569 /nfs/dbraw/zinc/02/65/69/550026569.db2.gz SDTIZXQJIYIHHX-UHFFFAOYSA-N 1 0 372.494 2.032 20 30 FEEDRO CN(Cc1ccccc1)C(=O)CON=C(N)c1ccc(C[NH+](C)C)cc1 ZINC000267026020 550026992 /nfs/dbraw/zinc/02/69/92/550026992.db2.gz TTZWVZRWLKFAFD-UHFFFAOYSA-N 1 0 354.454 2.044 20 30 FEEDRO C#CCOc1cccc(NC(=O)C(=O)NCCC[NH+](C(C)C)C(C)C)c1 ZINC000267131941 550027748 /nfs/dbraw/zinc/02/77/48/550027748.db2.gz ZOLNSIUCGLQFFO-UHFFFAOYSA-N 1 0 359.470 2.262 20 30 FEEDRO COc1ccc(NC(=[NH2+])NCCCNC(=O)c2occc2C)cc1OC ZINC000267385189 550030453 /nfs/dbraw/zinc/03/04/53/550030453.db2.gz BMGNANWRUAFOSL-UHFFFAOYSA-N 1 0 360.414 2.152 20 30 FEEDRO C=CCc1ccc(OC[C@H](O)C[N@H+]2CC[C@@](C)(C(=O)OC)C2)c(OC)c1 ZINC000268333110 550051007 /nfs/dbraw/zinc/05/10/07/550051007.db2.gz JFYBZCPWKVGYAG-OXQOHEQNSA-N 1 0 363.454 2.048 20 30 FEEDRO C[C@H]1C[NH+](CC2CCN(c3nccc(C#N)c3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000268517008 550080397 /nfs/dbraw/zinc/08/03/97/550080397.db2.gz UDOOQVZMRGXBCE-KBPBESRZSA-N 1 0 359.430 2.187 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCCC[C@@H]2CC(=O)NCC)CC1 ZINC000493784822 561458247 /nfs/dbraw/zinc/45/82/47/561458247.db2.gz IGJJOECYPULAIS-QGZVFWFLSA-N 1 0 350.507 2.117 20 30 FEEDRO N#Cc1cccc(C2([NH2+]C[C@H](O)COc3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000271747274 550399277 /nfs/dbraw/zinc/39/92/77/550399277.db2.gz DVOLEHPFHPYIHR-KRWDZBQOSA-N 1 0 353.378 2.485 20 30 FEEDRO C[N@H+]1CC=C(CNC(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)CC1 ZINC000271899892 550409585 /nfs/dbraw/zinc/40/95/85/550409585.db2.gz OLYLKOYOAVIIFH-UHFFFAOYSA-N 1 0 369.469 2.204 20 30 FEEDRO CC1(C#N)CCN(C(=O)C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)CC1 ZINC000272463286 550450163 /nfs/dbraw/zinc/45/01/63/550450163.db2.gz CUKNRJXXUGPJNN-UHFFFAOYSA-N 1 0 368.481 2.416 20 30 FEEDRO COc1cc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)ccc1O ZINC000272614783 550460898 /nfs/dbraw/zinc/46/08/98/550460898.db2.gz OYZTYXCPDFMZHJ-UHFFFAOYSA-N 1 0 353.422 2.476 20 30 FEEDRO C[N@@H+]1CC[C@H]2CCN(C(=O)CCCC(=O)Nc3ccccc3C#N)[C@H]2C1 ZINC000272620336 550461138 /nfs/dbraw/zinc/46/11/38/550461138.db2.gz LSHUPPZSWHFXLN-YJBOKZPZSA-N 1 0 354.454 2.220 20 30 FEEDRO C=CCS(=O)(=O)CC[NH2+]C1CCN(Cc2ccccc2Cl)CC1 ZINC000272881257 550474989 /nfs/dbraw/zinc/47/49/89/550474989.db2.gz QOONYYCUTLXXTH-UHFFFAOYSA-N 1 0 356.919 2.495 20 30 FEEDRO C=CCS(=O)(=O)CC[NH2+][C@H](C)c1ccc(NC(=O)NC(C)C)cc1 ZINC000272877104 550475010 /nfs/dbraw/zinc/47/50/10/550475010.db2.gz PWOCOUDYJZONRW-CQSZACIVSA-N 1 0 353.488 2.468 20 30 FEEDRO C#CCN(C(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1)C1CC1 ZINC000274044915 550520788 /nfs/dbraw/zinc/52/07/88/550520788.db2.gz BDNWADPJMAUEFK-UHFFFAOYSA-N 1 0 354.498 2.396 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1cc(OC(F)F)n(C)n1)C(C)C ZINC000274299605 550531567 /nfs/dbraw/zinc/53/15/67/550531567.db2.gz RYVWRSDHZCCZMN-CQSZACIVSA-N 1 0 356.417 2.450 20 30 FEEDRO COc1cc2c(cc1NC(=O)N(CCC#N)CCC[NH+](C)C)NC(=O)CC2 ZINC000274314892 550532447 /nfs/dbraw/zinc/53/24/47/550532447.db2.gz BIKDRYFPSKIOLC-UHFFFAOYSA-N 1 0 373.457 2.279 20 30 FEEDRO C[C@@H](NC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1)C1=CC[N@H+](C)CC1 ZINC000275938348 550575521 /nfs/dbraw/zinc/57/55/21/550575521.db2.gz APGHRECMHBRATC-CQSZACIVSA-N 1 0 354.454 2.193 20 30 FEEDRO C=CCC[N@@H+](C)CC(=O)NCC(=O)Nc1ccccc1Br ZINC000276370675 550578095 /nfs/dbraw/zinc/57/80/95/550578095.db2.gz GXRJZIXJAKBDIX-UHFFFAOYSA-N 1 0 354.248 2.012 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CC[C@H](N2CCCC2=O)C1)C(C)C ZINC000276661634 550582814 /nfs/dbraw/zinc/58/28/14/550582814.db2.gz QLXWSPQHQDFRCO-ROUUACIJSA-N 1 0 362.518 2.091 20 30 FEEDRO CC(C)Oc1ccc(NC(=O)C(=O)N2CCC[C@@H]([NH+](C)C)CC2)cc1C#N ZINC000277084144 550630149 /nfs/dbraw/zinc/63/01/49/550630149.db2.gz JNKPFPABXJSJIQ-QGZVFWFLSA-N 1 0 372.469 2.227 20 30 FEEDRO C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)Nc2cccc(OCCCC#N)c2)CC1 ZINC000277135264 550635847 /nfs/dbraw/zinc/63/58/47/550635847.db2.gz PDZKFMXJQRAATE-QGZVFWFLSA-N 1 0 372.469 2.250 20 30 FEEDRO C[C@](O)(C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)c1ccco1 ZINC000278564679 550799552 /nfs/dbraw/zinc/79/95/52/550799552.db2.gz CXENDVYEVLUBQO-IBGZPJMESA-N 1 0 351.410 2.449 20 30 FEEDRO N#CCCn1cc(C[NH2+]CCCO[C@H]2CCOC2)c(-c2ccncc2)n1 ZINC000278634806 550806606 /nfs/dbraw/zinc/80/66/06/550806606.db2.gz KXDHCAYTETVVGS-SFHVURJKSA-N 1 0 355.442 2.144 20 30 FEEDRO CCOCCCNC(NCc1ccc(OC)cc1)=[NH+]CCC[C@H](C)O ZINC000278750353 550817797 /nfs/dbraw/zinc/81/77/97/550817797.db2.gz MIEYXHFZMZLTPL-INIZCTEOSA-N 1 0 351.491 2.318 20 30 FEEDRO COC(=O)N1CCC([NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)CC1 ZINC000278750872 550817910 /nfs/dbraw/zinc/81/79/10/550817910.db2.gz WKSWBQFZLVGUGQ-UHFFFAOYSA-N 1 0 368.441 2.179 20 30 FEEDRO Cc1nc(C#N)c(N2CCC(C(=O)NC[C@H]3CC[N@@H+](CC(C)C)C3)CC2)o1 ZINC000278894545 550833470 /nfs/dbraw/zinc/83/34/70/550833470.db2.gz PCOUZRMCSBRLBY-MRXNPFEDSA-N 1 0 373.501 2.165 20 30 FEEDRO COC[C@H]([NH2+][C@@H](C)C(=O)N(CCC#N)c1ccc(C)cc1)[C@@H]1CCCO1 ZINC000279021446 550847751 /nfs/dbraw/zinc/84/77/51/550847751.db2.gz GUOIEAXDSNEFQD-WDSOQIARSA-N 1 0 359.470 2.414 20 30 FEEDRO Cn1nc([C@H]2CCCOC2)cc1NC(=O)N(CCC#N)CCC[NH+](C)C ZINC000279058612 550851568 /nfs/dbraw/zinc/85/15/68/550851568.db2.gz ALQQTWDGPPXCSA-HNNXBMFYSA-N 1 0 362.478 2.013 20 30 FEEDRO N#Cc1ccc(C[C@H](C#N)C(=O)NCCN2CCc3ccccc3C2)cc1 ZINC000279685771 550916850 /nfs/dbraw/zinc/91/68/50/550916850.db2.gz HIQXODTYJNPSIH-OAQYLSRUSA-N 1 0 358.445 2.415 20 30 FEEDRO C[N@H+](CC(=O)Nc1cc(Cl)ccc1C#N)C1(CCO)CCOCC1 ZINC000495453235 561488246 /nfs/dbraw/zinc/48/82/46/561488246.db2.gz ADKCOFRLNZXFFP-UHFFFAOYSA-N 1 0 351.834 2.014 20 30 FEEDRO C[C@H](O)C[C@H]1CCCCN1CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000279829196 550933585 /nfs/dbraw/zinc/93/35/85/550933585.db2.gz QYXJDRBQKCQACI-LZWOXQAQSA-N 1 0 368.437 2.137 20 30 FEEDRO Cc1nc2cc(F)c(F)cc2n1CC(=O)N(CCC#N)CCC[NH+](C)C ZINC000280624700 551014687 /nfs/dbraw/zinc/01/46/87/551014687.db2.gz PTNFGPGHRGPNEB-UHFFFAOYSA-N 1 0 363.412 2.317 20 30 FEEDRO C[C@]1(C(N)=O)CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000280693390 551022089 /nfs/dbraw/zinc/02/20/89/551022089.db2.gz HUDJOZNEHOAQKA-IBGZPJMESA-N 1 0 374.510 2.415 20 30 FEEDRO Cc1oc(C#N)cc1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000281012771 551054994 /nfs/dbraw/zinc/05/49/94/551054994.db2.gz HKXPFKYUGIEORK-LPHOPBHVSA-N 1 0 353.422 2.073 20 30 FEEDRO CCNC(=O)COc1cccc(C[NH2+]Cc2ccc(C#N)c(OC)c2)c1 ZINC000281465253 551100680 /nfs/dbraw/zinc/10/06/80/551100680.db2.gz BCSXAUCHOFPGFF-UHFFFAOYSA-N 1 0 353.422 2.372 20 30 FEEDRO CCOC(=O)CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)c1ccc(C#N)s1 ZINC000496863286 561496161 /nfs/dbraw/zinc/49/61/61/561496161.db2.gz GSVMDMWMFOJGQE-AWEZNQCLSA-N 1 0 363.483 2.499 20 30 FEEDRO CCn1nccc1N1CCC[C@@H]([NH2+]Cc2ccc(C#N)c(OC)c2)C1=O ZINC000281581878 551116237 /nfs/dbraw/zinc/11/62/37/551116237.db2.gz DHVYGXNMHZGGRL-MRXNPFEDSA-N 1 0 353.426 2.068 20 30 FEEDRO C[N@H+](CCC(=O)Nc1ccc(C#N)cc1)CC(=O)NCc1cccs1 ZINC000496967464 561496609 /nfs/dbraw/zinc/49/66/09/561496609.db2.gz MBNCGHFJRFYYGH-UHFFFAOYSA-N 1 0 356.451 2.197 20 30 FEEDRO C[NH+](C)[C@@H]1CCCN(S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)C1 ZINC000281877289 551151891 /nfs/dbraw/zinc/15/18/91/551151891.db2.gz BCVMIZBDMGSPBY-GFCCVEGCSA-N 1 0 361.389 2.292 20 30 FEEDRO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NCc1ccccc1OCC[NH+](C)C ZINC000281973178 551164490 /nfs/dbraw/zinc/16/44/90/551164490.db2.gz ZJHXPGCYCHMYHY-IEBWSBKVSA-N 1 0 361.486 2.407 20 30 FEEDRO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)CN(C)CCCO)c1C#N ZINC000281989760 551166460 /nfs/dbraw/zinc/16/64/60/551166460.db2.gz WSQRQLBMYJRTAH-UHFFFAOYSA-N 1 0 358.417 2.358 20 30 FEEDRO C=CCn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CCCC1 ZINC000282215096 551196626 /nfs/dbraw/zinc/19/66/26/551196626.db2.gz IEKGZMBYNNURRP-UHFFFAOYSA-N 1 0 366.513 2.429 20 30 FEEDRO C=CCn1c(C)nnc1N1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000282655677 551256572 /nfs/dbraw/zinc/25/65/72/551256572.db2.gz QSXYMPWXWNIRLH-UHFFFAOYSA-N 1 0 354.502 2.027 20 30 FEEDRO C[C@](C#N)(NC(=O)C[NH2+][C@@]1(Cc2ccc(Cl)cc2)CCOC1)C1CC1 ZINC000282722817 551263665 /nfs/dbraw/zinc/26/36/65/551263665.db2.gz MCCIKMAYKRHWMZ-RTBURBONSA-N 1 0 361.873 2.440 20 30 FEEDRO C#Cc1cc(F)c(NC(=O)C(=O)N(CCC)CCC[NH+](C)C)c(F)c1 ZINC000283151869 551319819 /nfs/dbraw/zinc/31/98/19/551319819.db2.gz DQZMJAUGBKAGMG-UHFFFAOYSA-N 1 0 351.397 2.075 20 30 FEEDRO C#Cc1cc(F)c(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](CC)C[C@@H]2C)c(F)c1 ZINC000283403957 551360878 /nfs/dbraw/zinc/36/08/78/551360878.db2.gz WRCMMEDYMMVUKJ-BLLLJJGKSA-N 1 0 363.408 2.073 20 30 FEEDRO C#Cc1cc(F)c(NC(=O)C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)c(F)c1 ZINC000283575543 551390439 /nfs/dbraw/zinc/39/04/39/551390439.db2.gz JTPUXEGTMFMQEH-CQSZACIVSA-N 1 0 361.392 2.018 20 30 FEEDRO C=C(C)Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000283589191 551392483 /nfs/dbraw/zinc/39/24/83/551392483.db2.gz KZSXLQWLUQKDSQ-KRWDZBQOSA-N 1 0 370.501 2.398 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(Cc2ccccc2)C2CC2)CC1 ZINC000283689569 551409826 /nfs/dbraw/zinc/40/98/26/551409826.db2.gz GXTLNRMLQXOLPW-UHFFFAOYSA-N 1 0 355.482 2.334 20 30 FEEDRO CC1CC[NH+](CCCCNC(=O)C(=O)N(C)Cc2ccc(C#N)cc2)CC1 ZINC000283949003 551455454 /nfs/dbraw/zinc/45/54/54/551455454.db2.gz FUVLAWUTYJOPLY-UHFFFAOYSA-N 1 0 370.497 2.145 20 30 FEEDRO C[C@@H](NC(=O)C(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1)c1ccc(C#N)cc1 ZINC000283974812 551460687 /nfs/dbraw/zinc/46/06/87/551460687.db2.gz LRVXGGWHSDZICE-IAGOWNOFSA-N 1 0 370.497 2.364 20 30 FEEDRO C=CCN(CCc1ccco1)C(=O)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000284299258 551518237 /nfs/dbraw/zinc/51/82/37/551518237.db2.gz YORPFBKAIVTQMC-UHFFFAOYSA-N 1 0 369.465 2.215 20 30 FEEDRO CCNC(=O)C[C@H]1CCCC[N@@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000284346772 551529375 /nfs/dbraw/zinc/52/93/75/551529375.db2.gz COTGUONUWHBOJY-MRXNPFEDSA-N 1 0 353.426 2.489 20 30 FEEDRO Cn1nccc1[C@H]1[C@H]([NH2+]Cc2ccc(C#N)s2)CCC(=O)N1C1CC1 ZINC000284487811 551560175 /nfs/dbraw/zinc/56/01/75/551560175.db2.gz JLAANLDLRNMUNV-CRAIPNDOSA-N 1 0 355.467 2.338 20 30 FEEDRO C=CCOc1cccc(C[NH2+][C@@H]2CCC(=O)N(C)[C@H]2c2ccnn2C)c1 ZINC000284545392 551574137 /nfs/dbraw/zinc/57/41/37/551574137.db2.gz NJCWYMCDBOWTDO-YLJYHZDGSA-N 1 0 354.454 2.437 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)NCCCO[C@H](C)c2ccccc2)CC1 ZINC000284600336 551587067 /nfs/dbraw/zinc/58/70/67/551587067.db2.gz GRKNPCIVKPGWIF-QGZVFWFLSA-N 1 0 373.497 2.037 20 30 FEEDRO C#C[C@H](NC(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1c1cnn(C)c1)C(C)C ZINC000284771234 551629231 /nfs/dbraw/zinc/62/92/31/551629231.db2.gz AAVBWJHRJHCPIK-HKBOAZHASA-N 1 0 364.493 2.410 20 30 FEEDRO C=CCC[C@@H](NC(=O)C(=O)NCCCC[NH+]1CCOCC1)c1ccccc1 ZINC000284814526 551640602 /nfs/dbraw/zinc/64/06/02/551640602.db2.gz XUAKVEPITTUTMY-LJQANCHMSA-N 1 0 373.497 2.039 20 30 FEEDRO C#CCN(CC)C(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1c1cnn(C)c1 ZINC000285171523 551714920 /nfs/dbraw/zinc/71/49/20/551714920.db2.gz MHVGDEVZHHWFQI-UXHICEINSA-N 1 0 350.466 2.117 20 30 FEEDRO COc1ccc(CCNC(=[NH2+])NCCCc2cccc(C)n2)cc1OC ZINC000285171371 551715103 /nfs/dbraw/zinc/71/51/03/551715103.db2.gz TXOQVGLQXAXBKV-UHFFFAOYSA-N 1 0 356.470 2.487 20 30 FEEDRO C[NH+](C)CCn1cc(NC(=O)C(C)(C)c2cc(F)cc(C#N)c2)ccc1=O ZINC000285666138 551792075 /nfs/dbraw/zinc/79/20/75/551792075.db2.gz DPWUIEIVBCCJIS-UHFFFAOYSA-N 1 0 370.428 2.337 20 30 FEEDRO N#Cc1ccc(N2CC[C@H](C(=O)NC[C@H]3CC[N@@H+](C4CC4)C3)C2)c(F)c1 ZINC000285941229 551829610 /nfs/dbraw/zinc/82/96/10/551829610.db2.gz HXZQLZVJEQKBGX-CVEARBPZSA-N 1 0 356.445 2.124 20 30 FEEDRO C=CCC[C@H]([NH2+]CCS(=O)(=O)NC[C@@H]1CCCCO1)c1ccco1 ZINC000286155542 551855355 /nfs/dbraw/zinc/85/53/55/551855355.db2.gz PQOXUTDCRMOUMW-HOTGVXAUSA-N 1 0 356.488 2.365 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC000286160094 551855972 /nfs/dbraw/zinc/85/59/72/551855972.db2.gz YYAFTWXFDYEFEJ-KRWDZBQOSA-N 1 0 371.460 2.218 20 30 FEEDRO N#Cc1ccc(N2CC[C@H](C(=O)N[C@H]3CC[N@@H+]4CCCC[C@H]34)C2)c(F)c1 ZINC000286321535 551873809 /nfs/dbraw/zinc/87/38/09/551873809.db2.gz HNYJPKLATMMRCI-VDZJLULYSA-N 1 0 356.445 2.267 20 30 FEEDRO C[C@H]1C[C@H](N(C)C(=O)C(=O)NCCCCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000286363176 551878906 /nfs/dbraw/zinc/87/89/06/551878906.db2.gz CNGDKHZVZXXILS-PKOBYXMFSA-N 1 0 370.497 2.308 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H](c2ncccc2C)C(C)C)CC1 ZINC000286366731 551879042 /nfs/dbraw/zinc/87/90/42/551879042.db2.gz CBZPWDUFWCMXJE-SFHVURJKSA-N 1 0 372.513 2.360 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[C@@H](c3cccc(F)c3)C2)CC1 ZINC000286508140 551894179 /nfs/dbraw/zinc/89/41/79/551894179.db2.gz KTJZQFVEIDIBHX-APWZRJJASA-N 1 0 373.472 2.345 20 30 FEEDRO C=CCCCCNC(=O)C(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000286530664 551896768 /nfs/dbraw/zinc/89/67/68/551896768.db2.gz CGDNITDXIOSJAL-UHFFFAOYSA-N 1 0 361.486 2.106 20 30 FEEDRO CC(C)N1CC[NH+](C2CCN(c3cc(N)c([N+](=O)[O-])c(C#N)c3)CC2)CC1 ZINC000286549437 551898899 /nfs/dbraw/zinc/89/88/99/551898899.db2.gz PZSUIGJHTMWOSB-UHFFFAOYSA-N 1 0 372.473 2.043 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2C[C@H](C)[C@@H]2c2ccccc2)CC1 ZINC000286627002 551908200 /nfs/dbraw/zinc/90/82/00/551908200.db2.gz MEKWKAJFEVEKDS-QFBILLFUSA-N 1 0 355.482 2.363 20 30 FEEDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)NCCCCC#N 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YIWGUXYZFNPJBE-QGZVFWFLSA-N 1 0 357.498 2.117 20 30 FEEDRO C#CC[C@H](Cc1ccccc1)NC(=O)NC1CC[NH+](CCCOC)CC1 ZINC000287388927 551997547 /nfs/dbraw/zinc/99/75/47/551997547.db2.gz JXZJFGKHURBROL-HXUWFJFHSA-N 1 0 357.498 2.421 20 30 FEEDRO CCC[C@H]1CN(C(=O)[C@H](C)Oc2ccc(C#N)cc2)CC[N@@H+]1CCOC ZINC000499440164 561550949 /nfs/dbraw/zinc/55/09/49/561550949.db2.gz BPGQAXWQTXMANQ-WMZOPIPTSA-N 1 0 359.470 2.285 20 30 FEEDRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC000288187122 552106601 /nfs/dbraw/zinc/10/66/01/552106601.db2.gz BFTPKKAHFRAIAP-IAGOWNOFSA-N 1 0 358.461 2.324 20 30 FEEDRO C#C[C@@H](NC(=O)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1)C(C)(C)C ZINC000288421395 552150529 /nfs/dbraw/zinc/15/05/29/552150529.db2.gz NTIVTTNDURTPRN-GOSISDBHSA-N 1 0 355.482 2.428 20 30 FEEDRO Cc1onc(CC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1C#N ZINC000499846592 561559684 /nfs/dbraw/zinc/55/96/84/561559684.db2.gz JZRJZOHXBOGZPA-KBXCAEBGSA-N 1 0 352.438 2.424 20 30 FEEDRO C=CCN1CC[C@@H]([N@H+](C)C[C@H](O)COc2ccc(Cl)cc2Cl)C1=O ZINC000499943052 561562386 /nfs/dbraw/zinc/56/23/86/561562386.db2.gz ZUKCPYJUJQAWMP-DZGCQCFKSA-N 1 0 373.280 2.452 20 30 FEEDRO CC(C)S(=O)(=O)CCNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1 ZINC000288769135 552209005 /nfs/dbraw/zinc/20/90/05/552209005.db2.gz UMWKTEPQMHUIOJ-UHFFFAOYSA-N 1 0 353.366 2.135 20 30 FEEDRO C=CCN1CC[C@H]([N@H+](C)C[C@H](O)COc2ccc(C(C)(C)C)cc2)C1=O ZINC000499964084 561563154 /nfs/dbraw/zinc/56/31/54/561563154.db2.gz LGKUQTFMTNJUAL-HKUYNNGSSA-N 1 0 360.498 2.443 20 30 FEEDRO C#CCN(Cc1ccccc1)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000289293774 552296440 /nfs/dbraw/zinc/29/64/40/552296440.db2.gz UVDSDOIGIJCWAK-WOJBJXKFSA-N 1 0 355.482 2.209 20 30 FEEDRO CC(C)[C@@](C)([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2)C(N)=O ZINC000289345254 552304661 /nfs/dbraw/zinc/30/46/61/552304661.db2.gz MIAJTLIVWPZFIO-GOSISDBHSA-N 1 0 362.499 2.317 20 30 FEEDRO C=CCOc1ccc(C[NH+]2CCC(CNS(C)(=O)=O)CC2)cc1OC ZINC000289399565 552314894 /nfs/dbraw/zinc/31/48/94/552314894.db2.gz ONNYJSKTRXPIOE-UHFFFAOYSA-N 1 0 368.499 2.021 20 30 FEEDRO COc1ccc([C@@H](C[NH+]2CCCC2)NC(=O)Cc2noc(C)c2C#N)cc1 ZINC000500390598 561571434 /nfs/dbraw/zinc/57/14/34/561571434.db2.gz RQSTXMBELCXTDH-LJQANCHMSA-N 1 0 368.437 2.359 20 30 FEEDRO N#Cc1ccc(CNC(=O)C[N@@H+]2CCCN3c4ccccc4C[C@@H]3C2)cc1 ZINC000289549574 552339212 /nfs/dbraw/zinc/33/92/12/552339212.db2.gz UGMLXBILABQLII-HXUWFJFHSA-N 1 0 360.461 2.311 20 30 FEEDRO CS(=O)(=O)NC[C@H]1CCC[C@H]1[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000500506557 561575392 /nfs/dbraw/zinc/57/53/92/561575392.db2.gz DLHWSINXODONFZ-SJLPKXTDSA-N 1 0 365.499 2.177 20 30 FEEDRO C=C[C@@H](CO)[NH2+]Cc1ccc(OCC(=O)N2CCCCC2)c(OCC)c1 ZINC000289725772 552368249 /nfs/dbraw/zinc/36/82/49/552368249.db2.gz FXPODSUCPXNXMS-KRWDZBQOSA-N 1 0 362.470 2.113 20 30 FEEDRO C=C[C@](C)(O)CC(=O)NCc1ccc(OCC[NH+](CC)CC)c(OC)c1 ZINC000289761218 552374555 /nfs/dbraw/zinc/37/45/55/552374555.db2.gz IFGXEYLGIFJJBF-FQEVSTJZSA-N 1 0 364.486 2.359 20 30 FEEDRO C=CCOc1ccc(C[NH2+][C@H]2CCC[C@@H]2CNS(C)(=O)=O)cc1OC ZINC000500575264 561577271 /nfs/dbraw/zinc/57/72/71/561577271.db2.gz XXTHDMDSEPLKIU-CVEARBPZSA-N 1 0 368.499 2.068 20 30 FEEDRO COc1ccc(CN2CC[C@H]([NH2+]Cc3cccc(C#N)c3)C2=O)c(OC)c1 ZINC000290113765 552429379 /nfs/dbraw/zinc/42/93/79/552429379.db2.gz LJRRILXVECJKBP-IBGZPJMESA-N 1 0 365.433 2.466 20 30 FEEDRO COC[C@@]1(CNC(=[NH2+])NCc2ccccc2OC)OCCc2ccccc21 ZINC000290685095 552519497 /nfs/dbraw/zinc/51/94/97/552519497.db2.gz QLANCGGYSDQSLC-OAQYLSRUSA-N 1 0 369.465 2.214 20 30 FEEDRO C[C@H](NC(=O)C(=O)Nc1ccc(C#N)c(F)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000290859192 552551199 /nfs/dbraw/zinc/55/11/99/552551199.db2.gz RRXONABOZKOOQJ-ZFWWWQNUSA-N 1 0 372.444 2.405 20 30 FEEDRO C[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccc(C#N)c(F)c2)[C@@H]1c1ccccc1 ZINC000290895121 552557278 /nfs/dbraw/zinc/55/72/78/552557278.db2.gz VGDIMYYGGTXZHV-MSOLQXFVSA-N 1 0 366.396 2.197 20 30 FEEDRO C[C@@H]([NH2+]CCC(=O)N(C)CCC#N)c1ccc(N2CCCNC2=O)cc1 ZINC000291267865 552608217 /nfs/dbraw/zinc/60/82/17/552608217.db2.gz PHYQKCAPNSHIAT-OAHLLOKOSA-N 1 0 357.458 2.019 20 30 FEEDRO C=C(C)COCCNC(=O)c1cnn(CC[NH+](C)C)c1-c1ccccc1 ZINC000501282055 561594061 /nfs/dbraw/zinc/59/40/61/561594061.db2.gz FDSMKQKKPPVCNL-UHFFFAOYSA-N 1 0 356.470 2.434 20 30 FEEDRO N#Cc1ccc(OC2CC[NH+](C[C@H](O)COCC(F)(F)F)CC2)cc1 ZINC000292621763 552743785 /nfs/dbraw/zinc/74/37/85/552743785.db2.gz MWWWCYDTKDJPBJ-AWEZNQCLSA-N 1 0 358.360 2.341 20 30 FEEDRO CC[NH+]1CCC(CCNC(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)CC1 ZINC000293412801 552820762 /nfs/dbraw/zinc/82/07/62/552820762.db2.gz NDJQVQFBUUCFNS-GOSISDBHSA-N 1 0 371.485 2.238 20 30 FEEDRO CC#CCCNC(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1c1cnn(C)c1 ZINC000501785530 561605418 /nfs/dbraw/zinc/60/54/18/561605418.db2.gz LSACDGMDEDWIER-UXHICEINSA-N 1 0 350.466 2.165 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)Nc2ncc(-c3ccc(OC)cc3)n2C)CC1 ZINC000294458887 552907807 /nfs/dbraw/zinc/90/78/07/552907807.db2.gz PEMTZJUBSYECPK-UHFFFAOYSA-N 1 0 352.438 2.379 20 30 FEEDRO CN(C)[C@H](CNS(=O)(=O)Cc1ccc(F)cc1C#N)c1ccccc1 ZINC000294537602 552914213 /nfs/dbraw/zinc/91/42/13/552914213.db2.gz VRBUPNGGECLONI-GOSISDBHSA-N 1 0 361.442 2.420 20 30 FEEDRO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1C[C@H](c2cnn(C)c2)C2(C1)CCOCC2 ZINC000295115687 552960494 /nfs/dbraw/zinc/96/04/94/552960494.db2.gz JBMGDGXAHMEZQO-IEBWSBKVSA-N 1 0 374.529 2.429 20 30 FEEDRO CN(C)C(=O)O[C@@H]1CCCN(CC(=O)N(CCC#N)c2ccccc2)C1 ZINC000295532342 553021657 /nfs/dbraw/zinc/02/16/57/553021657.db2.gz JBLSEPBYHPFTAO-QGZVFWFLSA-N 1 0 358.442 2.096 20 30 FEEDRO N#Cc1cc(F)ccc1CS(=O)(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000295787218 553058897 /nfs/dbraw/zinc/05/88/97/553058897.db2.gz UUOCSRKOOOPFNO-GOSISDBHSA-N 1 0 365.474 2.477 20 30 FEEDRO C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1CC[NH+]([C@H](C)CC)CC1 ZINC000295830154 553064905 /nfs/dbraw/zinc/06/49/05/553064905.db2.gz AWYJGVOZGCLWFQ-MRXNPFEDSA-N 1 0 360.506 2.011 20 30 FEEDRO C=CCn1c(-c2cnn(C)c2)nnc1N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC000296080342 553101659 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20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2ncc(C(F)(F)F)cn2)CC1 ZINC000297651524 553320596 /nfs/dbraw/zinc/32/05/96/553320596.db2.gz MKQIWQSRSQUKGH-UHFFFAOYSA-N 1 0 357.380 2.335 20 30 FEEDRO CC[NH+]1CCC(N2CC(=O)C(=C3N(C)c4ccccc4N3C)C2=N)CC1 ZINC000298282204 553407852 /nfs/dbraw/zinc/40/78/52/553407852.db2.gz ATSWSNZATMRUDL-UHFFFAOYSA-N 1 0 353.470 2.130 20 30 FEEDRO N#Cc1ccsc1N1CC[C@@H]([NH2+][C@H](CC(N)=O)C2CCCCC2)C1=O ZINC000298720393 553463906 /nfs/dbraw/zinc/46/39/06/553463906.db2.gz BCUDJHHGEKGONW-HUUCEWRRSA-N 1 0 360.483 2.139 20 30 FEEDRO Cc1nn(C)c2ncc(CN3CCN(Cc4ccc(C#N)cc4)CC3)cc12 ZINC000298731217 553465186 /nfs/dbraw/zinc/46/51/86/553465186.db2.gz SYWTZPKXOUPVHT-UHFFFAOYSA-N 1 0 360.465 2.466 20 30 FEEDRO C=CCN(CCc1ccccc1)C(=O)C(=O)N1CCC([NH2+]C(C)C)CC1 ZINC000298987086 553499516 /nfs/dbraw/zinc/49/95/16/553499516.db2.gz GOIUKXLWXZCGPW-UHFFFAOYSA-N 1 0 357.498 2.233 20 30 FEEDRO C=CCN(CCc1ccccc1)C(=O)C(=O)N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000299097404 553515236 /nfs/dbraw/zinc/51/52/36/553515236.db2.gz KWNHAKHCRVJQQL-FQEVSTJZSA-N 1 0 371.525 2.434 20 30 FEEDRO CC[C@H](C)[N@H+](C)CCNC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000503910656 561649706 /nfs/dbraw/zinc/64/97/06/561649706.db2.gz OCLBMASPORXUEZ-MAUKXSAKSA-N 1 0 371.485 2.083 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cc(Cl)c(N)c(Cl)c2)CC1 ZINC000299188625 553527227 /nfs/dbraw/zinc/52/72/27/553527227.db2.gz COYHQXMBMUGOET-UHFFFAOYSA-N 1 0 371.268 2.281 20 30 FEEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000299305971 553545509 /nfs/dbraw/zinc/54/55/09/553545509.db2.gz ACRFCIJQYZTBEH-AWEZNQCLSA-N 1 0 358.486 2.445 20 30 FEEDRO C[N@@H+]1CCC[C@@H](N2CCN(c3nc(C(F)(F)F)ccc3C#N)CC2)C1 ZINC000301254070 553636182 /nfs/dbraw/zinc/63/61/82/553636182.db2.gz DAYNMZKXISESLZ-CQSZACIVSA-N 1 0 353.392 2.188 20 30 FEEDRO CC(C)[C@H](CNc1ccc(S(N)(=O)=O)cc1C#N)[NH+]1CCC(C)CC1 ZINC000301342889 553643822 /nfs/dbraw/zinc/64/38/22/553643822.db2.gz JJKVETURVHQCCG-SFHVURJKSA-N 1 0 364.515 2.374 20 30 FEEDRO Cc1ccc([C@H](CNc2ccc(S(N)(=O)=O)cc2C#N)[NH+]2CCCC2)o1 ZINC000301407304 553649243 /nfs/dbraw/zinc/64/92/43/553649243.db2.gz MRVALXOJDXVSML-KRWDZBQOSA-N 1 0 374.466 2.356 20 30 FEEDRO CCC1([NH+]2CCOCC2)CCN(C(=O)Nc2cc(C)c(C#N)cn2)CC1 ZINC000603117349 553712013 /nfs/dbraw/zinc/71/20/13/553712013.db2.gz HMYLMLUEHKIMRT-UHFFFAOYSA-N 1 0 357.458 2.370 20 30 FEEDRO N#Cc1ccc(OC[C@@H](O)CN2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000302910831 553741593 /nfs/dbraw/zinc/74/15/93/553741593.db2.gz LWSUDGUNXSBYCU-NRFANRHFSA-N 1 0 365.477 2.158 20 30 FEEDRO C[C@@H]1[C@H](NS(=O)(=O)c2ccccc2C#N)CC[N@@H+]1Cc1ccccc1 ZINC000310778470 553754047 /nfs/dbraw/zinc/75/40/47/553754047.db2.gz OGQXOJRRJUCKKE-CRAIPNDOSA-N 1 0 355.463 2.500 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC000328609472 553795762 /nfs/dbraw/zinc/79/57/62/553795762.db2.gz MTZYILOXVBPPTO-JZXOWHBKSA-N 1 0 351.491 2.067 20 30 FEEDRO CC1(C)CN(CCNC(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)CCO1 ZINC000328613698 553796154 /nfs/dbraw/zinc/79/61/54/553796154.db2.gz QOJJAAKSTBIKHB-GOSISDBHSA-N 1 0 366.550 2.398 20 30 FEEDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC1CCN(C(=O)C2CC2)CC1 ZINC000328673569 553805432 /nfs/dbraw/zinc/80/54/32/553805432.db2.gz JDBZZSSLXOMPKZ-XHSDSOJGSA-N 1 0 364.534 2.257 20 30 FEEDRO C[C@@H]1C[N@@H+](C2CCN(C(=O)N[C@H]3CCC(=O)NC34CCC4)CC2)CCO1 ZINC000328682341 553806837 /nfs/dbraw/zinc/80/68/37/553806837.db2.gz CYBPKYJHKMPSBB-ZBFHGGJFSA-N 1 0 364.490 2.127 20 30 FEEDRO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCC[C@@H]1[C@@H]1COCC[C@@H]1O ZINC000328697683 553808851 /nfs/dbraw/zinc/80/88/51/553808851.db2.gz DRBFSHMKXAKZAF-MDNKFWRPSA-N 1 0 371.481 2.184 20 30 FEEDRO C[C@@H](C(=O)NC(=O)Nc1ccc2c(c1)OCCO2)[N@@H+]1CCOC[C@@H](C)C1 ZINC000328703033 553809562 /nfs/dbraw/zinc/80/95/62/553809562.db2.gz XPQQMXJBNCZPPW-STQMWFEESA-N 1 0 363.414 2.317 20 30 FEEDRO O=C(Nc1nccn1-c1ccccc1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000328758633 553817481 /nfs/dbraw/zinc/81/74/81/553817481.db2.gz WBESVJRMBUSRLF-INIZCTEOSA-N 1 0 355.442 2.072 20 30 FEEDRO C[C@@H]1C(=O)NCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)C1CCCCC1 ZINC000328797697 553823254 /nfs/dbraw/zinc/82/32/54/553823254.db2.gz WAGDORFJKYZPJJ-DOMZBBRYSA-N 1 0 361.446 2.045 20 30 FEEDRO O=C(NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)[C@@H]1CCc2c[nH]nc2C1 ZINC000328814978 553826631 /nfs/dbraw/zinc/82/66/31/553826631.db2.gz CGTWQYDQSGPGTK-NJAFHUGGSA-N 1 0 354.454 2.107 20 30 FEEDRO Cc1cncc(CNC(=O)N2CCN(C3CC[NH+](C(C)C)CC3)CC2)c1 ZINC000328833664 553830073 /nfs/dbraw/zinc/83/00/73/553830073.db2.gz LHWBKOQOYWDLDW-UHFFFAOYSA-N 1 0 359.518 2.294 20 30 FEEDRO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CC[C@@H](N2CCCC2=O)C1 ZINC000328835519 553830107 /nfs/dbraw/zinc/83/01/07/553830107.db2.gz MJLPOXRJPOJMKI-MUZJZNNISA-N 1 0 360.502 2.002 20 30 FEEDRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)N[C@@H]1CCCN(c2ccccc2F)C1=O ZINC000328867054 553835901 /nfs/dbraw/zinc/83/59/01/553835901.db2.gz GWQMJPFWNPVSDW-CZUORRHYSA-N 1 0 360.433 2.061 20 30 FEEDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCC[C@@H]1[C@@H]1COCC[C@]1(C)O ZINC000328935244 553848553 /nfs/dbraw/zinc/84/85/53/553848553.db2.gz AHEXUIMHTLVRGG-NTDBWNAOSA-N 1 0 353.507 2.027 20 30 FEEDRO C[N@@H+]1C[C@H](NC(=O)CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)[C@H](c2ccccc2)C1 ZINC000328959673 553853530 /nfs/dbraw/zinc/85/35/30/553853530.db2.gz KCTMYDZVNBABEY-MHORFTMASA-N 1 0 369.465 2.216 20 30 FEEDRO C[C@]1(O)CCOC[C@H]1[C@H]1CCC[N@@H+]1CC(=O)Nc1nc2c(s1)CCC2 ZINC000328979879 553858030 /nfs/dbraw/zinc/85/80/30/553858030.db2.gz RFALCNRZXOTYEO-WRSAYESZSA-N 1 0 365.499 2.472 20 30 FEEDRO C[C@H](C(=O)NC1CCCC1)N1CC[NH+](CCC(=O)N2CCCCC2)CC1 ZINC000328984425 553858423 /nfs/dbraw/zinc/85/84/23/553858423.db2.gz GDOHMNBBMVRYET-QGZVFWFLSA-N 1 0 364.534 2.294 20 30 FEEDRO CO[C@H]1C[C@@H](CN(C)C(=O)N[C@H]2CCOC3(CCCCC3)C2)[N@H+](C)C1 ZINC000328994888 553860832 /nfs/dbraw/zinc/86/08/32/553860832.db2.gz GGJWHFXXFBDLAI-ULQDDVLXSA-N 1 0 353.507 2.433 20 30 FEEDRO CN1CCOC[C@@H]1C(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000328993395 553860886 /nfs/dbraw/zinc/86/08/86/553860886.db2.gz DSDVMPILWRNXMD-MRXNPFEDSA-N 1 0 353.507 2.087 20 30 FEEDRO CC[N@@H+]1C[C@H](C)N(C(=O)N[C@@H]2CCCN(c3ccc(C)nn3)C2)C[C@@H]1C ZINC000329023422 553866610 /nfs/dbraw/zinc/86/66/10/553866610.db2.gz ISEGCCINXVFJBE-YESZJQIVSA-N 1 0 360.506 2.082 20 30 FEEDRO CO[C@@H]1CCC[C@@H]1[C@@H]1COCCN1C(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000329033810 553868507 /nfs/dbraw/zinc/86/85/07/553868507.db2.gz MDSOEFMGIMRSTJ-ZJPYXAASSA-N 1 0 353.507 2.291 20 30 FEEDRO CO[C@@H]1CCC[C@@H]1[C@@H]1COCCN1C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000329039243 553869762 /nfs/dbraw/zinc/86/97/62/553869762.db2.gz NVXIKEHLCNGSDM-HSFUPAIVSA-N 1 0 351.491 2.043 20 30 FEEDRO CN1CCOC[C@@H]1C(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000329049732 553871164 /nfs/dbraw/zinc/87/11/64/553871164.db2.gz WCQZBJDJARDPOP-ZWKOTPCHSA-N 1 0 374.485 2.221 20 30 FEEDRO CCCS(=O)(=O)N1CCCC[C@H]1C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000329057082 553872718 /nfs/dbraw/zinc/87/27/18/553872718.db2.gz SUWASAQBVVUQDQ-KRWDZBQOSA-N 1 0 371.547 2.412 20 30 FEEDRO Cc1nc(C(=O)N(C)C)ccc1C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000329103427 553881083 /nfs/dbraw/zinc/88/10/83/553881083.db2.gz NPKYEEQKZZXMDT-UHFFFAOYSA-N 1 0 374.485 2.041 20 30 FEEDRO Cc1nn(C)c(C)c1NC(=O)N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000329106950 553881452 /nfs/dbraw/zinc/88/14/52/553881452.db2.gz DQAUXFMNJYJMSP-UHFFFAOYSA-N 1 0 362.522 2.073 20 30 FEEDRO CC[N@@H+]1CCC[C@H](CNC(=O)N[C@@H](c2nc(C)no2)C2CCOCC2)C1 ZINC000329110133 553882196 /nfs/dbraw/zinc/88/21/96/553882196.db2.gz GFICBXGEXKTBRT-GDBMZVCRSA-N 1 0 365.478 2.081 20 30 FEEDRO CC(=O)N1CCC[C@@](O)(C(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)C1 ZINC000329118709 553883467 /nfs/dbraw/zinc/88/34/67/553883467.db2.gz JOAPWEGTTYXHDC-QLOJAFMTSA-N 1 0 365.518 2.359 20 30 FEEDRO C[C@H](NC(=O)c1ccccc1)C(=O)NC1CC[NH+]([C@@H]2CCN(C)C2=O)CC1 ZINC000329160322 553892249 /nfs/dbraw/zinc/89/22/49/553892249.db2.gz FDKSGNYDTPHOLW-WMLDXEAASA-N 1 0 372.469 2.031 20 30 FEEDRO CCSc1cc(C(=O)NC2CC[NH+]([C@@H]3CCN(C)C3=O)CC2)ccn1 ZINC000329169472 553894564 /nfs/dbraw/zinc/89/45/64/553894564.db2.gz JPSVRVWIPMVRKR-OAHLLOKOSA-N 1 0 362.499 2.193 20 30 FEEDRO Cc1nc2ccc(C(=O)NC3CC[NH+]([C@@H]4CCN(C)C4=O)CC3)cc2o1 ZINC000329177009 553896223 /nfs/dbraw/zinc/89/62/23/553896223.db2.gz MRKAWFNQUSUQJT-MRXNPFEDSA-N 1 0 356.426 2.136 20 30 FEEDRO CN1CC[C@H]([NH+]2CCC(NC(=O)c3sccc3OC(F)F)CC2)C1=O ZINC000329177900 553896888 /nfs/dbraw/zinc/89/68/88/553896888.db2.gz MYJBPMXTHKZWJV-NSHDSACASA-N 1 0 373.425 2.349 20 30 FEEDRO CN1CC[C@@H]([NH+]2CCC(NC(=O)c3cccc4cccnc43)CC2)C1=O ZINC000329196746 553900361 /nfs/dbraw/zinc/90/03/61/553900361.db2.gz UYJBYIAYJFTWLA-QGZVFWFLSA-N 1 0 352.438 2.235 20 30 FEEDRO C[NH+](C)C1(CNC(=O)N2CCOC[C@@H]2[C@H]2CCCO2)CCCCCC1 ZINC000329213681 553903824 /nfs/dbraw/zinc/90/38/24/553903824.db2.gz JVGYDGCLOSVVMY-IAGOWNOFSA-N 1 0 353.507 2.435 20 30 FEEDRO O=C(Nc1ccc(F)cc1)N[C@H]1CC[N@H+](CCN2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000329215968 553904431 /nfs/dbraw/zinc/90/44/31/553904431.db2.gz NQTSQJMPEYMNSV-OKZBNKHCSA-N 1 0 362.449 2.089 20 30 FEEDRO COc1cnc(NC(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)s1 ZINC000329231099 553907725 /nfs/dbraw/zinc/90/77/25/553907725.db2.gz DXCVDGNSJRUDCS-OLZOCXBDSA-N 1 0 354.476 2.246 20 30 FEEDRO C[C@H](C[NH+]1CCCCC1)NC(=O)N[C@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000329237928 553908177 /nfs/dbraw/zinc/90/81/77/553908177.db2.gz PHLXLRLBWBMIMS-SJORKVTESA-N 1 0 365.522 2.045 20 30 FEEDRO C[NH+](C)Cc1ccc(CNC(=O)N2CCO[C@@]3(CCCOC3)C2)cc1F ZINC000329247063 553910579 /nfs/dbraw/zinc/91/05/79/553910579.db2.gz VYWCVWRIOGGGOF-IBGZPJMESA-N 1 0 365.449 2.183 20 30 FEEDRO CC[C@@H]1CN(C(=O)NC2CC[NH+](C3CCCC3)CC2)C[C@@H](C)S1(=O)=O ZINC000329257113 553912142 /nfs/dbraw/zinc/91/21/42/553912142.db2.gz DVEPHPPOJYYOOR-RHSMWYFYSA-N 1 0 371.547 2.205 20 30 FEEDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)N[C@@H](c1nccn1C)C1CCOCC1 ZINC000329259298 553912905 /nfs/dbraw/zinc/91/29/05/553912905.db2.gz AFFQPYPZMJLUTN-HYVNUMGLSA-N 1 0 363.506 2.074 20 30 FEEDRO Cc1noc(C)c1C(C)(C)NC(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000329281031 553916527 /nfs/dbraw/zinc/91/65/27/553916527.db2.gz MIUQIXCQOYGOKP-CVEARBPZSA-N 1 0 364.490 2.408 20 30 FEEDRO CC[C@H]1CCCN(C(=O)Nc2ccnc(C(=O)N3CCN(C)CC3)c2)C1 ZINC000329289125 553918630 /nfs/dbraw/zinc/91/86/30/553918630.db2.gz PYQRWXQNIIAILH-HNNXBMFYSA-N 1 0 359.474 2.137 20 30 FEEDRO C[C@H](NC(=O)NCC1([NH+]2CCOCC2)CCCCC1)[C@H]1CCCOC1 ZINC000329353193 553930944 /nfs/dbraw/zinc/93/09/44/553930944.db2.gz UXNAQBZJCGILKC-IRXDYDNUSA-N 1 0 353.507 2.340 20 30 FEEDRO CC(C)c1nnc2n1C[C@@H](NC(=O)NC1C[C@H]3CCC[C@@H](C1)[N@H+]3C)CC2 ZINC000329364018 553932177 /nfs/dbraw/zinc/93/21/77/553932177.db2.gz ZWOZNFWQOIICIO-HNSVSWJLSA-N 1 0 360.506 2.235 20 30 FEEDRO CC(C)[C@H](NC(=O)c1ccccn1)C(=O)N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000329385943 553935959 /nfs/dbraw/zinc/93/59/59/553935959.db2.gz PMOQYAWCNKFCJN-JZXOWHBKSA-N 1 0 358.486 2.496 20 30 FEEDRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2C(=O)CCc3ccccc32)C1 ZINC000329439178 553947334 /nfs/dbraw/zinc/94/73/34/553947334.db2.gz JXHWONPWFNKUKW-KRWDZBQOSA-N 1 0 359.470 2.279 20 30 FEEDRO CN(C(=O)NCC1([NH+]2CCSCC2)CCCCC1)[C@@H]1CCC[C@H]1O ZINC000329461393 553951151 /nfs/dbraw/zinc/95/11/51/553951151.db2.gz SQNKEMSVGFASEW-HZPDHXFCSA-N 1 0 355.548 2.497 20 30 FEEDRO CN1CC[NH+](CC2(C)CCN(c3c(C#N)nnc4ccccc43)CC2)CC1 ZINC000329471589 553952394 /nfs/dbraw/zinc/95/23/94/553952394.db2.gz ZCDRJXAEUMAGSV-UHFFFAOYSA-N 1 0 364.497 2.355 20 30 FEEDRO CCO[C@@H]1C[C@H](NC(=O)N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)C12CCOCC2 ZINC000329539436 553964530 /nfs/dbraw/zinc/96/45/30/553964530.db2.gz MUBKWGNPZLQTKM-XLAORIBOSA-N 1 0 365.518 2.433 20 30 FEEDRO C[C@@H]1CN(C[C@@H]2CCCN2C(=O)Cc2c(F)cccc2C#N)C[C@H](C)O1 ZINC000506858380 561710189 /nfs/dbraw/zinc/71/01/89/561710189.db2.gz BNEITKDCLDKQIE-UXLLHSPISA-N 1 0 359.445 2.340 20 30 FEEDRO C[C@@H]1C[C@H](CCNC(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CCO1 ZINC000329627887 553978807 /nfs/dbraw/zinc/97/88/07/553978807.db2.gz HCCIVAKWSSRMJD-RWQQGDIJSA-N 1 0 367.534 2.463 20 30 FEEDRO CN1CC[C@@H]([NH+]2CCC(NC(=O)c3coc(-c4ccccc4)n3)CC2)C1=O ZINC000329625353 553979106 /nfs/dbraw/zinc/97/91/06/553979106.db2.gz GLOWYKTXAOJVRR-QGZVFWFLSA-N 1 0 368.437 2.341 20 30 FEEDRO [O-]C(=[NH+]CCn1cc(Br)cn1)N1CC[NH+](C2CCCC2)CC1 ZINC000329686738 553988626 /nfs/dbraw/zinc/98/86/26/553988626.db2.gz APFSTOVALHWBGM-UHFFFAOYSA-N 1 0 370.295 2.120 20 30 FEEDRO C[C@H](NC(=O)N[C@H]1CCN(c2ncccc2Cl)C1)C1=CC[N@H+](C)CC1 ZINC000329707909 553993040 /nfs/dbraw/zinc/99/30/40/553993040.db2.gz LWBKMTMQJQGMEV-ZFWWWQNUSA-N 1 0 363.893 2.468 20 30 FEEDRO C[NH+]1CCN(Cc2cccc(NC(=O)CN3C(=O)NC(=O)C3(C)C)c2)CC1 ZINC000329722556 553995326 /nfs/dbraw/zinc/99/53/26/553995326.db2.gz CJHAFIXRILBJCG-UHFFFAOYSA-N 1 0 373.457 2.193 20 30 FEEDRO C[C@@H]1C[C@@H](CCNC(=O)N2CC[NH+](CC3CCOCC3)CC2)CCO1 ZINC000329761220 554001232 /nfs/dbraw/zinc/00/12/32/554001232.db2.gz RDPKIAUNRYZEEV-SJORKVTESA-N 1 0 353.507 2.150 20 30 FEEDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CCCN(c3ccc(C)nn3)C2)C1 ZINC000329779094 554004021 /nfs/dbraw/zinc/00/40/21/554004021.db2.gz QRIASZAQZJGPOK-ZWKOTPCHSA-N 1 0 374.533 2.332 20 30 FEEDRO C[C@@H]1C[C@@H](NC(=O)N2CCCN(C(=O)c3ccsc3)CC2)CC[N@@H+]1C ZINC000329792969 554007091 /nfs/dbraw/zinc/00/70/91/554007091.db2.gz APOZJTQFRFJGIA-ZBFHGGJFSA-N 1 0 364.515 2.293 20 30 FEEDRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@H]1CCN(Cc2ccccc2)C1=O ZINC000329805258 554009270 /nfs/dbraw/zinc/00/92/70/554009270.db2.gz MUVBFBBAYFDWPK-QRVBRYPASA-N 1 0 370.497 2.260 20 30 FEEDRO CN1CC[NH+](CC2(C)CCN(C(=O)N[C@H]3CCCc4c[nH]nc43)CC2)CC1 ZINC000329810309 554009684 /nfs/dbraw/zinc/00/96/84/554009684.db2.gz CHJGYSMLGIFWIG-KRWDZBQOSA-N 1 0 374.533 2.051 20 30 FEEDRO O=C(NCC1([NH+]2CCSCC2)CCCC1)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC000329825601 554012822 /nfs/dbraw/zinc/01/28/22/554012822.db2.gz IESYCSFMWHYUTE-HRCADAONSA-N 1 0 354.516 2.356 20 30 FEEDRO CC(C)c1nnc([C@@H]2CN(C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@H]34)CCO2)o1 ZINC000329897951 554027140 /nfs/dbraw/zinc/02/71/40/554027140.db2.gz DKSFFJGCMJZACN-KFWWJZLASA-N 1 0 363.462 2.107 20 30 FEEDRO CN(C[C@@H]1C[C@H](F)CN1Cc1cnn(C)c1)C(=O)N[C@H]1CCCSC1 ZINC000329936835 554034893 /nfs/dbraw/zinc/03/48/93/554034893.db2.gz LDQZZGHKRMCGBP-JYJNAYRXSA-N 1 0 369.510 2.074 20 30 FEEDRO CN1CC[NH+](CCC(C)(C)NC(=O)C2CCN(c3cnccn3)CC2)CC1 ZINC000329963837 554039629 /nfs/dbraw/zinc/03/96/29/554039629.db2.gz QCYRSEDTGIHDPL-UHFFFAOYSA-N 1 0 374.533 2.066 20 30 FEEDRO O=C(NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)N1CC[C@H](CCO)C1 ZINC000329964579 554040350 /nfs/dbraw/zinc/04/03/50/554040350.db2.gz UOVWCQWPZXXVHQ-LRVUVFPRSA-N 1 0 363.424 2.410 20 30 FEEDRO C[NH+]1CCC(C)(CNC(=O)[C@@H]2CC=CC[C@H]2C(=O)N2CCOCC2)CC1 ZINC000329973612 554042352 /nfs/dbraw/zinc/04/23/52/554042352.db2.gz WVXKPFFKBAJMCP-IAGOWNOFSA-N 1 0 363.502 2.116 20 30 FEEDRO CC(=O)N1CCC[C@@H](CNC(=O)N2CC[NH+](C3CCCCC3)CC2)C1 ZINC000329999645 554047028 /nfs/dbraw/zinc/04/70/28/554047028.db2.gz VBPNGXOGZDATIO-KRWDZBQOSA-N 1 0 350.507 2.109 20 30 FEEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCO[C@H]2c2ccc(=O)[nH]c2)C[C@H]1C ZINC000330000248 554047442 /nfs/dbraw/zinc/04/74/42/554047442.db2.gz WCSKRSUHZXIHTE-VUNQQRPYSA-N 1 0 362.474 2.336 20 30 FEEDRO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1cccc(-n2cnc(N(C)C)n2)c1 ZINC000330018078 554050014 /nfs/dbraw/zinc/05/00/14/554050014.db2.gz SFGGTZWHMWGTNK-PBHICJAKSA-N 1 0 369.473 2.047 20 30 FEEDRO C[C@H]1CCC[N@H+](CCNC(=O)N2CCC(c3nnc4n3CCCC4)CC2)C1 ZINC000330030339 554051846 /nfs/dbraw/zinc/05/18/46/554051846.db2.gz RLOSVQCCVCRMEC-INIZCTEOSA-N 1 0 374.533 2.440 20 30 FEEDRO CCC[NH+]1CCC(NC(=O)N[C@H]2CCN(Cc3ccc(C)cc3)C2=O)CC1 ZINC000330067914 554058568 /nfs/dbraw/zinc/05/85/68/554058568.db2.gz UXNVWUCVKZELJW-IBGZPJMESA-N 1 0 372.513 2.474 20 30 FEEDRO Cn1cc(C(=O)NC[C@H]2C[N@H+](C)CCN2C)c(-c2ccc(Cl)s2)n1 ZINC000330074445 554059960 /nfs/dbraw/zinc/05/99/60/554059960.db2.gz FPZRPAQQWDCDFY-NSHDSACASA-N 1 0 367.906 2.352 20 30 FEEDRO CCc1nc2c(s1)[C@H](N(C)C(=O)NC[C@@H]1C[N@H+](C)CCN1C)CCC2 ZINC000330108317 554066194 /nfs/dbraw/zinc/06/61/94/554066194.db2.gz NMLNDOTVPWLDKQ-UKRRQHHQSA-N 1 0 365.547 2.175 20 30 FEEDRO CN1C[C@H](NC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)CC1=O ZINC000330151473 554074448 /nfs/dbraw/zinc/07/44/48/554074448.db2.gz LLCYETMAUFTBHR-GUDVDZBRSA-N 1 0 370.497 2.118 20 30 FEEDRO CCS(=O)(=O)N1CCC[C@@H](C(=O)NC2CC[NH+](C3CCCC3)CC2)C1 ZINC000330160934 554076340 /nfs/dbraw/zinc/07/63/40/554076340.db2.gz SNHUOJJMWVEILC-OAHLLOKOSA-N 1 0 371.547 2.412 20 30 FEEDRO CC(C)CN1CCN(C(=O)NC2CC[NH+](C3CCCC3)CC2)[C@H](C)C1=O ZINC000330162448 554076423 /nfs/dbraw/zinc/07/64/23/554076423.db2.gz AIHLKNBNZLNYIU-MRXNPFEDSA-N 1 0 364.534 2.496 20 30 FEEDRO CC1(C)CC(NC(=O)N2CCC(O[C@H]3CCOC3)CC2)CC(C)(C)[NH2+]1 ZINC000330173424 554078344 /nfs/dbraw/zinc/07/83/44/554078344.db2.gz YKOHFIUSTVIYON-INIZCTEOSA-N 1 0 353.507 2.480 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1F ZINC000330197201 554083241 /nfs/dbraw/zinc/08/32/41/554083241.db2.gz RMHXLHQKCCDXFB-KDOFPFPSSA-N 1 0 363.458 2.335 20 30 FEEDRO Cc1ccc(NC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1N1CCNC1=O ZINC000330206282 554085057 /nfs/dbraw/zinc/08/50/57/554085057.db2.gz DDLHZMJKSKVHES-CVEARBPZSA-N 1 0 357.458 2.491 20 30 FEEDRO O=C(N[C@H]1CCOC2(CCC2)C1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000330211703 554086432 /nfs/dbraw/zinc/08/64/32/554086432.db2.gz DESWXXOPPOQHEZ-KRWDZBQOSA-N 1 0 351.491 2.046 20 30 FEEDRO CCO[C@@H]1C[C@H](NC(=O)N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)C12CCC2 ZINC000330269636 554096469 /nfs/dbraw/zinc/09/64/69/554096469.db2.gz SDMIDUKPBCNWJI-RYQLBKOJSA-N 1 0 365.518 2.433 20 30 FEEDRO Cc1noc(C)c1C[C@H](C)NC(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000330272288 554097119 /nfs/dbraw/zinc/09/71/19/554097119.db2.gz XJXXISGKXDXRHZ-UONOGXRCSA-N 1 0 364.490 2.322 20 30 FEEDRO C[C@@H]1C[C@H](NC(=O)N2CCC[C@H](Oc3ncccc3F)C2)CC[N@@H+]1C ZINC000330271082 554097201 /nfs/dbraw/zinc/09/72/01/554097201.db2.gz VJCRFVTWNFXPNT-KFWWJZLASA-N 1 0 350.438 2.461 20 30 FEEDRO Cc1nccc(NC(=O)N(C)C[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)n1 ZINC000330275982 554097886 /nfs/dbraw/zinc/09/78/86/554097886.db2.gz MGRZJYCVFCPTGH-WMLDXEAASA-N 1 0 357.462 2.079 20 30 FEEDRO O=C(NCC1([NH+]2CCSCC2)CCCCC1)N1CCC[C@H]1CCO ZINC000330280710 554098281 /nfs/dbraw/zinc/09/82/81/554098281.db2.gz SVSCADJRIMUEDO-INIZCTEOSA-N 1 0 355.548 2.499 20 30 FEEDRO Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NC(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000330325331 554105422 /nfs/dbraw/zinc/10/54/22/554105422.db2.gz JFVPFAVNNFESNB-OWQGQXMQSA-N 1 0 363.506 2.245 20 30 FEEDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)N[C@@H]1CC(C)(C)OC1(C)C ZINC000330325582 554105580 /nfs/dbraw/zinc/10/55/80/554105580.db2.gz URZHWAMHLRKCJJ-GDBMZVCRSA-N 1 0 353.507 2.432 20 30 FEEDRO Cc1nnc([C@H](C)NC(=O)N2CC[N@@H+](C3CCOCC3)C[C@H]2C)s1 ZINC000330324234 554105602 /nfs/dbraw/zinc/10/56/02/554105602.db2.gz UAPOWZBHJQINSA-NEPJUHHUSA-N 1 0 353.492 2.007 20 30 FEEDRO Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NC(=O)NCC[N@H+](C)C1CCCC1 ZINC000330338157 554107677 /nfs/dbraw/zinc/10/76/77/554107677.db2.gz VAOPRXCPHKLVCQ-WMZOPIPTSA-N 1 0 363.506 2.245 20 30 FEEDRO C[C@H](C#N)CN(C)S(=O)(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000330375332 554113088 /nfs/dbraw/zinc/11/30/88/554113088.db2.gz NROXGVNIBILWTK-IAGOWNOFSA-N 1 0 370.563 2.299 20 30 FEEDRO C[C@H](C#N)CN(C)S(=O)(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000330387987 554114765 /nfs/dbraw/zinc/11/47/65/554114765.db2.gz NBXXUJDUAJOVGU-YCPHGPKFSA-N 1 0 370.544 2.057 20 30 FEEDRO CC[C@H](C)[N@H+](C)CCNC(=O)c1ccc2c(c1)C[C@@H](C)N2S(C)(=O)=O ZINC000330467091 554125761 /nfs/dbraw/zinc/12/57/61/554125761.db2.gz IKBDUKIFRBHAPF-UONOGXRCSA-N 1 0 367.515 2.432 20 30 FEEDRO CC[C@@](C)(C#N)C(=O)N1CCC(C(=O)NCC[NH+](C(C)C)C(C)C)CC1 ZINC000508176247 561754170 /nfs/dbraw/zinc/75/41/70/561754170.db2.gz YOGJJKKLEKLQAS-FQEVSTJZSA-N 1 0 364.534 2.400 20 30 FEEDRO CNS(=O)(=O)c1cccc(C(=O)NC[C@H](C)[NH+]2CCC(C)CC2)c1 ZINC000330541278 554135652 /nfs/dbraw/zinc/13/56/52/554135652.db2.gz ABDPVRUINZLSMX-AWEZNQCLSA-N 1 0 353.488 2.020 20 30 FEEDRO N#Cc1cnn(-c2ccc(C(=O)NCCCCC[NH+]3CCCC3)cc2)c1N ZINC000508108094 561752041 /nfs/dbraw/zinc/75/20/41/561752041.db2.gz ZTCLKURYIAJOFZ-UHFFFAOYSA-N 1 0 366.469 2.322 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)NCC(C)(C)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000330654887 554151458 /nfs/dbraw/zinc/15/14/58/554151458.db2.gz NHEJUQJMLKVATD-CALCHBBNSA-N 1 0 366.550 2.418 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CSCN2C(=O)[C@H](C)CC)CC1 ZINC000330663626 554153056 /nfs/dbraw/zinc/15/30/56/554153056.db2.gz VFZPDQMCZWYOEB-ZBFHGGJFSA-N 1 0 353.532 2.091 20 30 FEEDRO CSCc1cc(F)ccc1CNC(=O)N1CC[N@H+](C[C@H](C)O)[C@H](C)C1 ZINC000330700980 554159491 /nfs/dbraw/zinc/15/94/91/554159491.db2.gz IUHNLMNCPHKBEO-KGLIPLIRSA-N 1 0 369.506 2.490 20 30 FEEDRO CC[NH+](CC)CC1CCN(S(=O)(=O)c2ccc(F)c(C#N)c2)CC1 ZINC000330865155 554180677 /nfs/dbraw/zinc/18/06/77/554180677.db2.gz BSHADZSBXXRLTM-UHFFFAOYSA-N 1 0 353.463 2.440 20 30 FEEDRO CN1CC[N@H+](C)C[C@H]1CNC(=O)c1cc(NC(=O)C(C)(C)C)ccc1F ZINC000330928750 554190200 /nfs/dbraw/zinc/19/02/00/554190200.db2.gz ZRSGVJTTXPXROP-CQSZACIVSA-N 1 0 364.465 2.361 20 30 FEEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2ccc(S(C)(=O)=O)s2)[C@@H](C)C1 ZINC000330950325 554192992 /nfs/dbraw/zinc/19/29/92/554192992.db2.gz JLLMOQHUVOIHRB-JSGCOSHPSA-N 1 0 373.544 2.228 20 30 FEEDRO Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000330970053 554195572 /nfs/dbraw/zinc/19/55/72/554195572.db2.gz FGYXXDQHUCAVAY-ZFWWWQNUSA-N 1 0 351.495 2.184 20 30 FEEDRO CCC[NH+]1CCC(NC(=O)N2CCC[C@H](CNC(=O)C(C)C)C2)CC1 ZINC000330998369 554198908 /nfs/dbraw/zinc/19/89/08/554198908.db2.gz YUMRUXLGVQNKKM-MRXNPFEDSA-N 1 0 352.523 2.259 20 30 FEEDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2cccc(CS(C)(=O)=O)c2C)C1 ZINC000331138473 554220274 /nfs/dbraw/zinc/22/02/74/554220274.db2.gz QPUZGRJUICGRFT-HNNXBMFYSA-N 1 0 367.515 2.359 20 30 FEEDRO C=CCn1c([C@H](C)OCCOC)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC000508707512 561770358 /nfs/dbraw/zinc/77/03/58/561770358.db2.gz WAJZZKNNQZQNTO-HNNXBMFYSA-N 1 0 351.495 2.155 20 30 FEEDRO C[C@@H](O)C[N@@H+]1CCN(C(=O)Nc2cc(Cl)ccc2N(C)C)[C@@H](C)C1 ZINC000331192421 554228879 /nfs/dbraw/zinc/22/88/79/554228879.db2.gz RMOQMCDFUYEGRJ-QWHCGFSZSA-N 1 0 354.882 2.338 20 30 FEEDRO C[N@@H+]1CCN(CCNC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC1(C)C ZINC000331270673 554239230 /nfs/dbraw/zinc/23/92/30/554239230.db2.gz MPDJWKGWHNTVJF-UHFFFAOYSA-N 1 0 353.398 2.086 20 30 FEEDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)NC[C@@H](O)C(F)(F)F)CC1 ZINC000331288595 554241839 /nfs/dbraw/zinc/24/18/39/554241839.db2.gz JHLVWPNYRQRXLI-BXUZGUMPSA-N 1 0 360.380 2.034 20 30 FEEDRO COc1cc(C)c(NC(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)cc1OC ZINC000331308334 554245551 /nfs/dbraw/zinc/24/55/51/554245551.db2.gz XCRWYIIEAGXRMV-CQSZACIVSA-N 1 0 365.474 2.335 20 30 FEEDRO C[C@@H]1C[N@@H+](C2CCN(C(=O)[C@H](C#N)CCc3ccccc3)CC2)CCO1 ZINC000331391202 554256665 /nfs/dbraw/zinc/25/66/65/554256665.db2.gz KBFVOQRDWSNDAO-MJGOQNOKSA-N 1 0 355.482 2.471 20 30 FEEDRO C=CCn1c(C(=O)NC(CC)CC)nnc1N1CC[NH+](C2CCC2)CC1 ZINC000508907593 561777693 /nfs/dbraw/zinc/77/76/93/561777693.db2.gz NRDWSTWRLFKPPV-UHFFFAOYSA-N 1 0 360.506 2.057 20 30 FEEDRO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)C1 ZINC000331614004 554295072 /nfs/dbraw/zinc/29/50/72/554295072.db2.gz KKDLTLQVHFYTLB-LZQZEXGQSA-N 1 0 356.470 2.370 20 30 FEEDRO CC[NH+](CC)CCN(CCC(F)(F)F)S(=O)(=O)N(C)[C@H](C)CC#N ZINC000509181774 561788686 /nfs/dbraw/zinc/78/86/86/561788686.db2.gz CYSSTRKHMWTCIS-CYBMUJFWSA-N 1 0 372.457 2.061 20 30 FEEDRO CC[NH+]1CCC(N(C)C(=O)[C@H]2CCCN(c3nc(C)ccc3C#N)C2)CC1 ZINC000331896793 554341874 /nfs/dbraw/zinc/34/18/74/554341874.db2.gz YHUQYTGEMORSSZ-SFHVURJKSA-N 1 0 369.513 2.421 20 30 FEEDRO C=C[C@H](C)NC(=O)N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000332372369 554434289 /nfs/dbraw/zinc/43/42/89/554434289.db2.gz BNJDMQZWEZETTP-ROUUACIJSA-N 1 0 357.502 2.200 20 30 FEEDRO C[NH+](C)C1CCC(NC(=O)N2CCN(c3cccc(F)c3C#N)CC2)CC1 ZINC000332527818 554463565 /nfs/dbraw/zinc/46/35/65/554463565.db2.gz TWZXFDVFVBVMLE-UHFFFAOYSA-N 1 0 373.476 2.402 20 30 FEEDRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000332546591 554469013 /nfs/dbraw/zinc/46/90/13/554469013.db2.gz NGKKLUFOQBSRJV-CZUORRHYSA-N 1 0 361.877 2.041 20 30 FEEDRO CC[NH+](CC)CCOc1ccccc1NC(=O)C(=O)NCC(C)(C)C#N ZINC000510656830 561842438 /nfs/dbraw/zinc/84/24/38/561842438.db2.gz HAMVEMCCRCCDGE-UHFFFAOYSA-N 1 0 360.458 2.012 20 30 FEEDRO CS(=O)(=O)N[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(C#N)cc1OC(F)F ZINC000510776624 561846344 /nfs/dbraw/zinc/84/63/44/561846344.db2.gz HWFFXJVECQBEEP-KBPBESRZSA-N 1 0 373.425 2.110 20 30 FEEDRO N#Cc1cc(Br)cnc1N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000333639629 554629984 /nfs/dbraw/zinc/62/99/84/554629984.db2.gz HXRNLGPQJGKSPR-HUUCEWRRSA-N 1 0 365.275 2.438 20 30 FEEDRO C[N@@H+]1CC[C@@H]2CN(C(=O)C3CCN(c4ccc(C#N)cc4F)CC3)C[C@@H]21 ZINC000333887316 554652520 /nfs/dbraw/zinc/65/25/20/554652520.db2.gz XXBXFGPOFBGCOP-APWZRJJASA-N 1 0 356.445 2.076 20 30 FEEDRO C=CCOC[C@@H]1NC(=O)N(C[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)C1=O ZINC000348608152 554691342 /nfs/dbraw/zinc/69/13/42/554691342.db2.gz ZWEUMDPFOUUBEM-ROUUACIJSA-N 1 0 357.454 2.020 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)NCc2nnc(-c3ccc(Cl)cc3)o2)CC1 ZINC000361419145 554921292 /nfs/dbraw/zinc/92/12/92/554921292.db2.gz ZDRZFOFOLKCUHD-UHFFFAOYSA-N 1 0 358.829 2.351 20 30 FEEDRO N#Cc1ccccc1N1CCC[C@@H](NC(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000361525343 554923707 /nfs/dbraw/zinc/92/37/07/554923707.db2.gz IRQJLAPVQBCLAK-SJLPKXTDSA-N 1 0 367.497 2.311 20 30 FEEDRO CN1CC[NH+](C[C@H]2CCCN(c3nc(C(F)(F)F)ccc3C#N)C2)CC1 ZINC000361831923 554936998 /nfs/dbraw/zinc/93/69/98/554936998.db2.gz XRFMQRITKWKQRQ-CQSZACIVSA-N 1 0 367.419 2.436 20 30 FEEDRO Cn1cc([C@H]2[C@@H](CNC(=O)c3ccc(CC#N)cc3)CCC[N@@H+]2C)cn1 ZINC000362167619 554954244 /nfs/dbraw/zinc/95/42/44/554954244.db2.gz WEPKHVNBACXNHX-IEBWSBKVSA-N 1 0 351.454 2.299 20 30 FEEDRO CC[C@H](CNC(=O)[C@@H]1CCCN(c2nc(C)ccc2C#N)C1)[NH+]1CCCC1 ZINC000363041669 555016744 /nfs/dbraw/zinc/01/67/44/555016744.db2.gz WTNDDZVOABTUDY-RTBURBONSA-N 1 0 369.513 2.469 20 30 FEEDRO CCc1nc([C@H]2CCC[N@H+](C[C@H](O)COc3ccc(C#N)cc3)C2)no1 ZINC000363103145 555031100 /nfs/dbraw/zinc/03/11/00/555031100.db2.gz CSSLOMSFSYBGNO-HOTGVXAUSA-N 1 0 356.426 2.123 20 30 FEEDRO Cc1cc([C@H]2CCCN(CCS(=O)(=O)c3ccc(C#N)cc3)C2)n[nH]1 ZINC000363366865 555086914 /nfs/dbraw/zinc/08/69/14/555086914.db2.gz LMCXJMAWGFRQOV-INIZCTEOSA-N 1 0 358.467 2.243 20 30 FEEDRO C[C@H](Oc1ccccc1C#N)C(=O)N[C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000363418150 555100355 /nfs/dbraw/zinc/10/03/55/555100355.db2.gz MVIXZKQAVXEZDU-UKBAYJJMSA-N 1 0 371.481 2.331 20 30 FEEDRO N#Cc1ccc(NC(=O)C(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)cc1Cl ZINC000363557791 555136405 /nfs/dbraw/zinc/13/64/05/555136405.db2.gz LRYUKZGXAWJYEJ-LXZKKBNFSA-N 1 0 372.856 2.093 20 30 FEEDRO N#Cc1ccc(NC(=O)C(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@H]3C2)cc1Cl ZINC000363557790 555136519 /nfs/dbraw/zinc/13/65/19/555136519.db2.gz LRYUKZGXAWJYEJ-JLJPHGGASA-N 1 0 372.856 2.093 20 30 FEEDRO COc1cc[nH+]c(N2CCN(C(=O)NCC#Cc3cccc(F)c3)CC2)c1 ZINC000512172908 561894906 /nfs/dbraw/zinc/89/49/06/561894906.db2.gz PWYALQNGRBMCCY-UHFFFAOYSA-N 1 0 368.412 2.113 20 30 FEEDRO COC(=O)[C@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H](C#N)C2)CN1C(=O)OC(C)(C)C ZINC000364030202 555236454 /nfs/dbraw/zinc/23/64/54/555236454.db2.gz JQHHLPOPEXSVAL-APIJFGDWSA-N 1 0 351.447 2.209 20 30 FEEDRO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@H]1N2S(=O)(=O)c1cccnc1C#N ZINC000364349373 555296474 /nfs/dbraw/zinc/29/64/74/555296474.db2.gz BKMUUOBRTKSZFH-MAUKXSAKSA-N 1 0 368.462 2.258 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@H]1CC(=O)N2CCCC[C@@H]12)C(C)C ZINC000512392993 561903122 /nfs/dbraw/zinc/90/31/22/561903122.db2.gz MWYWXZKSPHCTEM-OKZBNKHCSA-N 1 0 362.518 2.138 20 30 FEEDRO CCN(CCC#N)C(=O)C[NH2+][C@H]1CCN(Cc2cnc(C)s2)C[C@H]1C ZINC000364898747 555430110 /nfs/dbraw/zinc/43/01/10/555430110.db2.gz WNJKMTRCFIRMQG-PBHICJAKSA-N 1 0 363.531 2.014 20 30 FEEDRO C=CCOCCCC(=O)NCC1([NH+]2CCN(C)CC2)CCCCCC1 ZINC000365592473 555617298 /nfs/dbraw/zinc/61/72/98/555617298.db2.gz ONHRUXPJQGQDBE-UHFFFAOYSA-N 1 0 351.535 2.426 20 30 FEEDRO N#Cc1ccccc1N1CCC[C@@H](NC(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)C1 ZINC000365712445 555647976 /nfs/dbraw/zinc/64/79/76/555647976.db2.gz OROKQXSTWRSTRF-RTBURBONSA-N 1 0 365.481 2.183 20 30 FEEDRO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCC[C@H](C(=O)Nc2ncccc2C)C1 ZINC000365792713 555669016 /nfs/dbraw/zinc/66/90/16/555669016.db2.gz PDDRGGYYGHCMDM-WBVHZDCISA-N 1 0 371.485 2.049 20 30 FEEDRO Cc1c(C#N)cccc1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000513608541 561944329 /nfs/dbraw/zinc/94/43/29/561944329.db2.gz JKAOWUNEWSYQDW-FPOVZHCZSA-N 1 0 363.461 2.480 20 30 FEEDRO CC[NH+](CC)Cc1ccc(C(=O)N2CCC(n3cnc(C#N)n3)CC2)cc1 ZINC000366342011 555815962 /nfs/dbraw/zinc/81/59/62/555815962.db2.gz VJOWHDNGEULXSP-UHFFFAOYSA-N 1 0 366.469 2.469 20 30 FEEDRO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CC[C@H]2[C@H](CCN2C(=O)OC(C)(C)C)C1 ZINC000366547370 555873576 /nfs/dbraw/zinc/87/35/76/555873576.db2.gz ZLDONUOLVIJQSL-OAGGEKHMSA-N 1 0 364.490 2.078 20 30 FEEDRO C[NH+](C)C[C@H]1CCN(C(=O)N[C@@H]2CCCN(c3ccccc3C#N)C2)C1 ZINC000366627600 555894327 /nfs/dbraw/zinc/89/43/27/555894327.db2.gz FLLPFRASVKKYBP-SJLPKXTDSA-N 1 0 355.486 2.120 20 30 FEEDRO N#CCC1(CNC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000366792877 555935061 /nfs/dbraw/zinc/93/50/61/555935061.db2.gz UACGPECMUUNHEU-UHFFFAOYSA-N 1 0 351.454 2.469 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H]2CC(=O)N(C)[C@H]2c2ccc(F)cc2)CC1 ZINC000366832872 555946617 /nfs/dbraw/zinc/94/66/17/555946617.db2.gz PPJBCDYGZLLHDB-MJGOQNOKSA-N 1 0 374.460 2.047 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N[C@H]2CC(=O)N(C)[C@H]2c2ccc(F)cc2)CC1 ZINC000366832870 555946635 /nfs/dbraw/zinc/94/66/35/555946635.db2.gz PPJBCDYGZLLHDB-HKUYNNGSSA-N 1 0 374.460 2.047 20 30 FEEDRO C[C@H](CC#N)N(C)S(=O)(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000367165230 556002366 /nfs/dbraw/zinc/00/23/66/556002366.db2.gz MONPYZPLSTWCOM-KLAILNCOSA-N 1 0 356.536 2.098 20 30 FEEDRO CCCCCCCS(=O)(=O)N1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000367229587 556003713 /nfs/dbraw/zinc/00/37/13/556003713.db2.gz FHYZZHSHXFXKEJ-GOSISDBHSA-N 1 0 359.580 2.246 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H](c2ccccc2)[C@H]2CCOC2)nc1 ZINC000367307791 556014001 /nfs/dbraw/zinc/01/40/01/556014001.db2.gz LHBDKYWCWDEMRW-HKUYNNGSSA-N 1 0 371.462 2.094 20 30 FEEDRO CCOC(CC(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1)OCC ZINC000367366889 556029681 /nfs/dbraw/zinc/02/96/81/556029681.db2.gz FAJFYYWZBLUGMW-UHFFFAOYSA-N 1 0 359.470 2.450 20 30 FEEDRO CCc1nnc(N2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)c(C#N)c1CC ZINC000367460623 556056290 /nfs/dbraw/zinc/05/62/90/556056290.db2.gz FZEOHXCCQNLQOU-HNNXBMFYSA-N 1 0 356.518 2.078 20 30 FEEDRO C[C@@H]1c2nnc(C3CCCC3)n2CCN1N(CCC#N)CCC[NH+](C)C ZINC000367575149 556087599 /nfs/dbraw/zinc/08/75/99/556087599.db2.gz KBKGBOICYIMRCY-MRXNPFEDSA-N 1 0 359.522 2.395 20 30 FEEDRO C[C@@H](NC(=O)C(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C)c1ccc(C#N)cc1 ZINC000514875639 561984658 /nfs/dbraw/zinc/98/46/58/561984658.db2.gz KONKEJPAYYOQIY-OWCLPIDISA-N 1 0 356.470 2.115 20 30 FEEDRO Cn1nc(CC[NH2+]C[C@@H](O)COc2ccc(C#N)cc2)c2ccccc21 ZINC000514932491 561987336 /nfs/dbraw/zinc/98/73/36/561987336.db2.gz HYLULFZALSJLDJ-MRXNPFEDSA-N 1 0 350.422 2.017 20 30 FEEDRO C=CCN(CCc1ccco1)C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000367929876 556174993 /nfs/dbraw/zinc/17/49/93/556174993.db2.gz JGFZIHIZGQZEAN-KRWDZBQOSA-N 1 0 360.502 2.188 20 30 FEEDRO C[C@@H](CNC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)[NH+]1CCCC1 ZINC000514991892 561990543 /nfs/dbraw/zinc/99/05/43/561990543.db2.gz LWAVPXMLLLVTFW-DZGCQCFKSA-N 1 0 374.872 2.165 20 30 FEEDRO N#C[C@H](c1cccs1)N1CCN(C(=O)C[N@@H+]2C[C@H]3CCCC[C@H]32)CC1 ZINC000368080585 556213405 /nfs/dbraw/zinc/21/34/05/556213405.db2.gz FSQJZHVVNYYZCC-BRWVUGGUSA-N 1 0 358.511 2.331 20 30 FEEDRO CS(=O)(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC000515096529 561996104 /nfs/dbraw/zinc/99/61/04/561996104.db2.gz MVSWZPMCSNUBEG-CYBMUJFWSA-N 1 0 361.389 2.091 20 30 FEEDRO CN1CC[C@H]([NH2+]CC(=O)NCc2cccc(C#N)c2)[C@@H]1c1ccc(F)cc1 ZINC000368230978 556254261 /nfs/dbraw/zinc/25/42/61/556254261.db2.gz HJVTXXNNWLUYKF-FPOVZHCZSA-N 1 0 366.440 2.349 20 30 FEEDRO CN(CCC#N)C(=O)CC[N@@H+]1CC[C@H]2[C@@H](CCN2C(=O)OC(C)(C)C)C1 ZINC000368348975 556283961 /nfs/dbraw/zinc/28/39/61/556283961.db2.gz PABCNFYJVVDJKY-HOTGVXAUSA-N 1 0 364.490 2.080 20 30 FEEDRO N#Cc1cnn2cc(CNc3ccccc3C[NH+]3CCC(O)CC3)cnc12 ZINC000515301003 562004152 /nfs/dbraw/zinc/00/41/52/562004152.db2.gz BRQFRIJLEAYTEF-UHFFFAOYSA-N 1 0 362.437 2.170 20 30 FEEDRO C[C@H](C(=O)N(C)CCC#N)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000368480562 556322073 /nfs/dbraw/zinc/32/20/73/556322073.db2.gz BZYLKPDYTWQJPM-RLLQIKCJSA-N 1 0 354.498 2.486 20 30 FEEDRO C[C@@H](C(=O)N(C)CCC#N)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000368480563 556322201 /nfs/dbraw/zinc/32/22/01/556322201.db2.gz BZYLKPDYTWQJPM-SXLOBPIMSA-N 1 0 354.498 2.486 20 30 FEEDRO C=CCn1c(SCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)nnc1-c1cccnc1 ZINC000368482665 556322958 /nfs/dbraw/zinc/32/29/58/556322958.db2.gz OESYFMZTMRLRFR-IYBDPMFKSA-N 1 0 357.483 2.481 20 30 FEEDRO Cc1c(C[NH2+]C[C@H](O)COc2ccc(CC#N)cc2)cccc1[N+](=O)[O-] ZINC000515348011 562006245 /nfs/dbraw/zinc/00/62/45/562006245.db2.gz SOYPLGHZTNFFOQ-KRWDZBQOSA-N 1 0 355.394 2.499 20 30 FEEDRO N#Cc1ccc(CS(=O)(=O)N2CC[C@@H](c3ccc(F)cc3)[C@H]([NH3+])C2)cc1 ZINC000515498799 562013237 /nfs/dbraw/zinc/01/32/37/562013237.db2.gz BSXYCPKGTCIURF-RBUKOAKNSA-N 1 0 373.453 2.344 20 30 FEEDRO CO/N=C/c1ccc(C(=O)N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)cc1 ZINC000368621532 556365607 /nfs/dbraw/zinc/36/56/07/556365607.db2.gz ACOCKULYHGCDRV-CJLVFECKSA-N 1 0 372.513 2.157 20 30 FEEDRO C[C@H]1CN(C(=O)NCC2CCC(C#N)CC2)CCN1C1CC[NH+](C)CC1 ZINC000369108019 556507323 /nfs/dbraw/zinc/50/73/23/556507323.db2.gz YSRSNTRWDDPZMC-AOCRQIFASA-N 1 0 361.534 2.126 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)s1 ZINC000369179545 556527453 /nfs/dbraw/zinc/52/74/53/556527453.db2.gz SXCREYVYZCJENQ-IUODEOHRSA-N 1 0 351.497 2.257 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N2CCC[C@@H]2[C@H]2CCCN2C(=O)CC)CC1 ZINC000369403711 556592575 /nfs/dbraw/zinc/59/25/75/556592575.db2.gz WGXNXHSPKADGJD-QZTJIDSGSA-N 1 0 362.518 2.212 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@H]2[C@H]2CCCN2C(C)=O)CC1 ZINC000369433518 556599524 /nfs/dbraw/zinc/59/95/24/556599524.db2.gz FKVQTJYEXUHAMZ-MOPGFXCFSA-N 1 0 362.518 2.212 20 30 FEEDRO C#CCNC(=O)c1ccc(NC[C@@H]2CC[N@@H+](C)[C@H]2c2cccs2)nc1 ZINC000369561385 556631556 /nfs/dbraw/zinc/63/15/56/556631556.db2.gz PAUPTKKTTRXFGP-KBXCAEBGSA-N 1 0 354.479 2.611 20 30 FEEDRO C[N@@H+]1C[C@@H]2CN(S(=O)(=O)c3ccc(C#N)cc3)C[C@H]2[C@@H]1c1ccccc1 ZINC000369677307 556665778 /nfs/dbraw/zinc/66/57/78/556665778.db2.gz DVGMLZXGUHUZMJ-RLLQIKCJSA-N 1 0 367.474 2.482 20 30 FEEDRO C=C(C)[C@H]1OCCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000369682576 556667388 /nfs/dbraw/zinc/66/73/88/556667388.db2.gz FRQVKZJZXYZOSJ-RHQZKXFESA-N 1 0 350.503 2.363 20 30 FEEDRO N#Cc1ccccc1S(=O)(=O)N1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000369798938 556698729 /nfs/dbraw/zinc/69/87/29/556698729.db2.gz IOXGOONSCYQSSV-KDURUIRLSA-N 1 0 367.474 2.311 20 30 FEEDRO CCC[C@@H]1C[NH2+]CCN1C(=O)NC1CCC(Oc2ncccc2C#N)CC1 ZINC000516432795 562042711 /nfs/dbraw/zinc/04/27/11/562042711.db2.gz DJRSYLVPBLBQCZ-LXPRWKDFSA-N 1 0 371.485 2.427 20 30 FEEDRO Cc1cc(CN2CCC([N@H+](C)CC(=O)NC3(C#N)CCCCC3)CC2)on1 ZINC000369906046 556726204 /nfs/dbraw/zinc/72/62/04/556726204.db2.gz KQJVXEAFRIDVCC-UHFFFAOYSA-N 1 0 373.501 2.222 20 30 FEEDRO N#Cc1cccc(CNC(=O)C[NH+]2CCC(COc3ccccn3)CC2)c1 ZINC000369906593 556726978 /nfs/dbraw/zinc/72/69/78/556726978.db2.gz QTSXRLAYEJMERP-UHFFFAOYSA-N 1 0 364.449 2.360 20 30 FEEDRO Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N3CC[NH+](C4CCC4)CC3)C2)n1 ZINC000370002448 556754936 /nfs/dbraw/zinc/75/49/36/556754936.db2.gz OSRVMURILIEZJB-GOSISDBHSA-N 1 0 367.497 2.175 20 30 FEEDRO C=CCOc1ccccc1CNC(=O)N1CCC[C@H]1C[N@H+]1CCC[C@@H]1CO ZINC000370304293 556835369 /nfs/dbraw/zinc/83/53/69/556835369.db2.gz XOXAOTTXJAZFQN-RBUKOAKNSA-N 1 0 373.497 2.382 20 30 FEEDRO Cc1c(Cl)cnc(N2CCCN(CC(=O)NC(C)(C)C)CC2)c1C#N ZINC000370360206 556849921 /nfs/dbraw/zinc/84/99/21/556849921.db2.gz XQTOWOOLCKVVPA-UHFFFAOYSA-N 1 0 363.893 2.342 20 30 FEEDRO C=CCOc1ccccc1C(=O)N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000370422786 556867967 /nfs/dbraw/zinc/86/79/67/556867967.db2.gz IUZPRPOWLVMUKH-GOSISDBHSA-N 1 0 357.498 2.492 20 30 FEEDRO C=CCC[C@H](O)C[NH+]1CCC(NS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000370504294 556893435 /nfs/dbraw/zinc/89/34/35/556893435.db2.gz GGLDWERJSOJWRF-INIZCTEOSA-N 1 0 372.918 2.410 20 30 FEEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@H]2CCN(C(=O)c3cccnc3)C2)cc1 ZINC000370521884 556898636 /nfs/dbraw/zinc/89/86/36/556898636.db2.gz IWOXKVPUPOLJMA-QAPCUYQASA-N 1 0 350.422 2.377 20 30 FEEDRO CN1C(=O)N[C@]2(CCC[C@@H]2C[NH2+]Cc2cccc(OCCCC#N)c2)C1=O ZINC000371093474 557072967 /nfs/dbraw/zinc/07/29/67/557072967.db2.gz KTADORFBMWHVTG-UZLBHIALSA-N 1 0 370.453 2.179 20 30 FEEDRO C=CCOc1ccc(CC(=O)N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)cc1 ZINC000517284942 562084328 /nfs/dbraw/zinc/08/43/28/562084328.db2.gz PELGYIDYQUDUAM-HXUWFJFHSA-N 1 0 371.525 2.421 20 30 FEEDRO N#C[C@@H](c1cccs1)N1CCN(C(=O)C[N@@H+]2CC[C@@H](C3CC3)C2)CC1 ZINC000371474076 557192588 /nfs/dbraw/zinc/19/25/88/557192588.db2.gz VSZWSIJBMPRSQP-SJORKVTESA-N 1 0 358.511 2.189 20 30 FEEDRO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000371515556 557207443 /nfs/dbraw/zinc/20/74/43/557207443.db2.gz ANIWYNMMKMZOFY-UKRRQHHQSA-N 1 0 356.401 2.193 20 30 FEEDRO C[C@H](C[NH+]1CCC(C)CC1)NS(=O)(=O)Cc1cc(C#N)ccc1F ZINC000518397039 562110725 /nfs/dbraw/zinc/11/07/25/562110725.db2.gz DAXZENZXRXTZIW-CQSZACIVSA-N 1 0 353.463 2.237 20 30 FEEDRO C=CCn1c(CC2CCCC2)nnc1N1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000518442895 562111505 /nfs/dbraw/zinc/11/15/05/562111505.db2.gz BSCDIOSSDBISKV-IBGZPJMESA-N 1 0 372.561 2.413 20 30 FEEDRO CC(C)Oc1ccc(NC(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cc1C#N ZINC000372086086 557376565 /nfs/dbraw/zinc/37/65/65/557376565.db2.gz GGOJIYNVIJWGEO-QZTJIDSGSA-N 1 0 372.469 2.408 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCOC3(CCOCC3)CC2)CC1 ZINC000372133080 557388431 /nfs/dbraw/zinc/38/84/31/557388431.db2.gz BTYSJWGJTWYJMY-UHFFFAOYSA-N 1 0 351.491 2.008 20 30 FEEDRO C[C@H](O)C[C@H](C[NH2+]C[C@H](O)COc1ccc(C#N)cc1)c1ccccc1 ZINC000518964803 562122030 /nfs/dbraw/zinc/12/20/30/562122030.db2.gz DYQACGCOTQQVEB-DBVUQKKJSA-N 1 0 354.450 2.442 20 30 FEEDRO CCC[N@@H+]1CC[C@@H](CNC(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)C1 ZINC000372341370 557444737 /nfs/dbraw/zinc/44/47/37/557444737.db2.gz BITKPIWRBIMZTF-HKUYNNGSSA-N 1 0 356.470 2.373 20 30 FEEDRO CC(C)NC(=O)CN1CCC[N@H+](Cc2ccc(O[C@@H](C)C#N)cc2)CC1 ZINC000372391276 557458323 /nfs/dbraw/zinc/45/83/23/557458323.db2.gz HKPUZPTVIQEQBS-KRWDZBQOSA-N 1 0 358.486 2.010 20 30 FEEDRO CC(C)(O)C[N@@H+]1CCCN(C(=O)C(C)(C)Oc2ccc(C#N)cc2)CC1 ZINC000372549358 557500515 /nfs/dbraw/zinc/50/05/15/557500515.db2.gz YZJYITUOCIAVBS-UHFFFAOYSA-N 1 0 359.470 2.021 20 30 FEEDRO CC(C)[C@@](C)(C#N)NC(=O)CN(C)C1CC[NH+](Cc2ccncc2)CC1 ZINC000372582533 557511929 /nfs/dbraw/zinc/51/19/29/557511929.db2.gz HKMLPJHXMQJCSQ-HXUWFJFHSA-N 1 0 357.502 2.032 20 30 FEEDRO C=CCN(C(=O)[C@H]1CCN(C)C(=O)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000372597806 557515819 /nfs/dbraw/zinc/51/58/19/557515819.db2.gz BZSYVBXTUGMSPD-RBUKOAKNSA-N 1 0 355.482 2.144 20 30 FEEDRO Cc1cc(C#N)ccc1C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC000372761818 557556915 /nfs/dbraw/zinc/55/69/15/557556915.db2.gz OTEDYZZPOLBNFN-QFBILLFUSA-N 1 0 351.454 2.413 20 30 FEEDRO CC1(CNC(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)CC[NH2+]CC1 ZINC000519690574 562140124 /nfs/dbraw/zinc/14/01/24/562140124.db2.gz GAYWJCUYUADJDG-UHFFFAOYSA-N 1 0 371.485 2.332 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N[C@@H](c2ccn(C)n2)c2ccc(F)cc2)CC1 ZINC000373151807 557639119 /nfs/dbraw/zinc/63/91/19/557639119.db2.gz JKBRMJZIJNXADA-LJQANCHMSA-N 1 0 354.429 2.110 20 30 FEEDRO C=C(C)[C@H]1OCCC[C@H]1C(=O)NC[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000373208961 557650443 /nfs/dbraw/zinc/65/04/43/557650443.db2.gz VBXOMUMQCNSYEH-VAMGGRTRSA-N 1 0 358.482 2.375 20 30 FEEDRO C=CCN1C(=O)c2ccc(C(=O)NC[C@H]3CCC[N@@H+](C(C)C)C3)cc2C1=O ZINC000520150848 562149726 /nfs/dbraw/zinc/14/97/26/562149726.db2.gz QOHGKTAXGMCWCY-OAHLLOKOSA-N 1 0 369.465 2.319 20 30 FEEDRO C=C(C)[C@H]1OCCC[C@H]1C(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000373273546 557662856 /nfs/dbraw/zinc/66/28/56/557662856.db2.gz JUQBSZABUWUXNM-RTBURBONSA-N 1 0 363.546 2.234 20 30 FEEDRO C[NH+]1CCC(N(Cc2ccco2)S(=O)(=O)c2ccc(C#N)s2)CC1 ZINC000373822776 557766944 /nfs/dbraw/zinc/76/69/44/557766944.db2.gz LMALZTMNVNHHMX-UHFFFAOYSA-N 1 0 365.480 2.498 20 30 FEEDRO C[N@H+](CCC(=O)Nc1ccccc1C#N)C1CCN(c2cnccn2)CC1 ZINC000373828379 557768107 /nfs/dbraw/zinc/76/81/07/557768107.db2.gz HFXLDEHQJPKZCY-UHFFFAOYSA-N 1 0 364.453 2.278 20 30 FEEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+][C@]2(CO)CCCc3ccccc32)c1 ZINC000374136232 557829661 /nfs/dbraw/zinc/82/96/61/557829661.db2.gz HXDJGJPNOOBWDY-FQEVSTJZSA-N 1 0 370.474 2.146 20 30 FEEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)NC[C@H](C)[NH+]1CCCC1 ZINC000520844442 562164970 /nfs/dbraw/zinc/16/49/70/562164970.db2.gz XGASRJASRNDGDJ-GJZGRUSLSA-N 1 0 374.510 2.477 20 30 FEEDRO COc1cc(C#N)ccc1OCC(=O)N1CCCC2(CC[NH+](C)CC2)C1 ZINC000374167061 557835702 /nfs/dbraw/zinc/83/57/02/557835702.db2.gz ZBXQCMSZUSQOTB-UHFFFAOYSA-N 1 0 357.454 2.280 20 30 FEEDRO CCOC(=O)[C@@]1(COC)CCC[N@H+](CCCC2(C#N)CCOCC2)C1 ZINC000374171092 557836659 /nfs/dbraw/zinc/83/66/59/557836659.db2.gz IFDUOKPDNFZOPY-IBGZPJMESA-N 1 0 352.475 2.379 20 30 FEEDRO C=CCN1CC[C@H]([NH+]2CCC(c3c[nH]c4ccc(C(N)=O)cc43)CC2)C1=O ZINC000374172034 557836911 /nfs/dbraw/zinc/83/69/11/557836911.db2.gz KSPWFDIAFQHTTB-IBGZPJMESA-N 1 0 366.465 2.233 20 30 FEEDRO N#Cc1cccc(CCNC(=O)N2CCC(CC[NH+]3CCOCC3)CC2)c1 ZINC000374260998 557854024 /nfs/dbraw/zinc/85/40/24/557854024.db2.gz YKTGIWXTYYHGSQ-UHFFFAOYSA-N 1 0 370.497 2.245 20 30 FEEDRO C[C@@H](C(=O)Nc1ccccc1C#N)N1CCC[C@@H](c2nc(N(C)C)no2)C1 ZINC000374636898 557910030 /nfs/dbraw/zinc/91/00/30/557910030.db2.gz OZCSKMWPDGYLNI-DZGCQCFKSA-N 1 0 368.441 2.214 20 30 FEEDRO Cn1nccc1C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)NCc1cccc(C#N)c1 ZINC000374778692 557930050 /nfs/dbraw/zinc/93/00/50/557930050.db2.gz NRVXDOCMMFFFSD-YQQQUEKLSA-N 1 0 363.465 2.319 20 30 FEEDRO CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CCC(Nc2ccc(C#N)cn2)CC1 ZINC000375019331 557965197 /nfs/dbraw/zinc/96/51/97/557965197.db2.gz VNQSDWFUSVFBNR-SFHVURJKSA-N 1 0 355.486 2.619 20 30 FEEDRO COC(=O)c1cn([C@@H]2CCC[N@H+](Cc3ccc(O[C@H](C)C#N)cc3)C2)nn1 ZINC000375176717 557987619 /nfs/dbraw/zinc/98/76/19/557987619.db2.gz PCPMTQPTWQIZAK-GDBMZVCRSA-N 1 0 369.425 2.193 20 30 FEEDRO CCN([C@@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)N(C)[C@@H](C)CC#N ZINC000375705735 558070328 /nfs/dbraw/zinc/07/03/28/558070328.db2.gz HNIOYINOPOOPCH-FUHWJXTLSA-N 1 0 364.515 2.062 20 30 FEEDRO N#Cc1ccc(C[NH2+]C[C@@H]2CCN(S(=O)(=O)c3cccs3)C2)o1 ZINC000375737899 558074918 /nfs/dbraw/zinc/07/49/18/558074918.db2.gz HJSRIKWVJBMPKG-LBPRGKRZSA-N 1 0 351.453 2.013 20 30 FEEDRO CC(C)n1nc2c(cc1=O)CN([C@@H](C)C(=O)Nc1ccccc1C#N)CC2 ZINC000375861088 558090090 /nfs/dbraw/zinc/09/00/90/558090090.db2.gz PAFVZLHKLDVSAY-AWEZNQCLSA-N 1 0 365.437 2.081 20 30 FEEDRO CC(C)n1nc2c(cc1=O)CN([C@H](C)C(=O)Nc1ccccc1C#N)CC2 ZINC000375861090 558090270 /nfs/dbraw/zinc/09/02/70/558090270.db2.gz PAFVZLHKLDVSAY-CQSZACIVSA-N 1 0 365.437 2.081 20 30 FEEDRO C#CCOc1ccccc1NC(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000376332408 558159293 /nfs/dbraw/zinc/15/92/93/558159293.db2.gz KUJYTSIXVGTIEF-MJGOQNOKSA-N 1 0 370.497 2.188 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N2CCC[C@]2(CO)Cc2ccccc2)CC1 ZINC000376411278 558169610 /nfs/dbraw/zinc/16/96/10/558169610.db2.gz QLIAUAPMRIRQAY-OAQYLSRUSA-N 1 0 357.498 2.416 20 30 FEEDRO Cn1cc([C@H]2[C@H](CNC(=O)NCC(C)(C)CCC#N)CCC[N@@H+]2C)cn1 ZINC000376672399 558206272 /nfs/dbraw/zinc/20/62/72/558206272.db2.gz MOGHNDKKDZVHBS-DOTOQJQBSA-N 1 0 360.506 2.432 20 30 FEEDRO COCCNC(=O)c1c[nH]nc1[C@H]1CCCN(Cc2ccc(C#N)s2)C1 ZINC000376685948 558208351 /nfs/dbraw/zinc/20/83/51/558208351.db2.gz CBKYRSQOLCAFEJ-ZDUSSCGKSA-N 1 0 373.482 2.099 20 30 FEEDRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000376923465 558240164 /nfs/dbraw/zinc/24/01/64/558240164.db2.gz BAHDVLZDPICMDX-CQSZACIVSA-N 1 0 353.430 2.135 20 30 FEEDRO N#Cc1ccc(NC(=O)CN2[C@H](C(N)=O)C[C@@H]3CCCC[C@@H]32)cc1Cl ZINC000377169069 558280819 /nfs/dbraw/zinc/28/08/19/558280819.db2.gz SZMIMFKRVGYLRV-UVBJJODRSA-N 1 0 360.845 2.269 20 30 FEEDRO C=CCN(C(=O)NCC[C@@H]1CCC(=O)N1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000377265184 558301619 /nfs/dbraw/zinc/30/16/19/558301619.db2.gz LVCOKKRBOJPTTM-OALUTQOASA-N 1 0 370.497 2.127 20 30 FEEDRO C[C@@H](Oc1ccccc1Br)C(=O)NC1(C#N)CC[NH+](C)CC1 ZINC000522130925 562192009 /nfs/dbraw/zinc/19/20/09/562192009.db2.gz TXOKAQSDUSXINJ-GFCCVEGCSA-N 1 0 366.259 2.321 20 30 FEEDRO COC1CC[NH+](C2(CN[C@@H](C(N)=O)c3ccc(C#N)cc3)CCCC2)CC1 ZINC000522370639 562197567 /nfs/dbraw/zinc/19/75/67/562197567.db2.gz BBWIBGBOABZMRM-LJQANCHMSA-N 1 0 370.497 2.098 20 30 FEEDRO CCCN(CC#N)C(=O)c1nnn(-c2cccc3c2CC[N@H+](CC)C3)c1C ZINC000377618233 558378349 /nfs/dbraw/zinc/37/83/49/558378349.db2.gz YHKJNVZLGLBXOA-UHFFFAOYSA-N 1 0 366.469 2.330 20 30 FEEDRO CN1CC[C@H]([NH2+]C[C@@H](O)COc2ccc(C#N)cc2)[C@H]1c1ccc(F)cc1 ZINC000377644514 558384849 /nfs/dbraw/zinc/38/48/49/558384849.db2.gz FNFCGUMNMPVGFD-HLAWJBBLSA-N 1 0 369.440 2.472 20 30 FEEDRO N#Cc1cccc(S(=O)(=O)CCN2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)c1 ZINC000377768799 558416286 /nfs/dbraw/zinc/41/62/86/558416286.db2.gz SDKLLVKVSZJYOG-ROUUACIJSA-N 1 0 360.479 2.365 20 30 FEEDRO CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCC2(C[C@@H]2C(=O)N2CCCCC2)CC1 ZINC000378405798 558549420 /nfs/dbraw/zinc/54/94/20/558549420.db2.gz DPPLRCMEYTYZSR-ZWKOTPCHSA-N 1 0 374.529 2.109 20 30 FEEDRO CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NS(=O)(=O)c1cccnc1C#N ZINC000398113047 558626237 /nfs/dbraw/zinc/62/62/37/558626237.db2.gz ZDLJSZFOWSQJOL-GOSISDBHSA-N 1 0 372.494 2.388 20 30 FEEDRO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000408135708 558650355 /nfs/dbraw/zinc/65/03/55/558650355.db2.gz ZIMADOALLVCEAH-DLBZAZTESA-N 1 0 360.502 2.052 20 30 FEEDRO C[C@@H](C(=O)NCc1ccccc1C[NH+]1CCC(C)CC1)n1cnc(C#N)n1 ZINC000409460619 558694260 /nfs/dbraw/zinc/69/42/60/558694260.db2.gz HBIKTVSVSUZKAY-INIZCTEOSA-N 1 0 366.469 2.259 20 30 FEEDRO CCN(CCC#N)S(=O)(=O)N[C@@H](C)[C@H](c1ccccc1C)[NH+](C)C ZINC000410405011 558755507 /nfs/dbraw/zinc/75/55/07/558755507.db2.gz CFIMCJYFGXRNNX-DOTOQJQBSA-N 1 0 352.504 2.056 20 30 FEEDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2ncc(C#N)cc2Cl)[C@H](C)C1 ZINC000410485459 558766672 /nfs/dbraw/zinc/76/66/72/558766672.db2.gz TVSFLAXWDRIYDH-CJNGLKHVSA-N 1 0 364.877 2.473 20 30 FEEDRO C=CCN1C(=O)c2ccc(C(=O)N(C)[C@H]3CC[N@@H+](CC)[C@@H](C)C3)cc2C1=O ZINC000525397241 562247482 /nfs/dbraw/zinc/24/74/82/562247482.db2.gz MNYFZILFORCYOI-HOCLYGCPSA-N 1 0 369.465 2.413 20 30 FEEDRO C=CC[N@@H+](C)CCN(CC)[C@H](C)C(=O)NC(=O)Nc1ccccc1F ZINC000411645015 558935187 /nfs/dbraw/zinc/93/51/87/558935187.db2.gz SAHIKWXEKWIULH-CQSZACIVSA-N 1 0 350.438 2.302 20 30 FEEDRO C[C@H]1CN(CC(=O)NCc2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000411982940 558999096 /nfs/dbraw/zinc/99/90/96/558999096.db2.gz KYEVVRSHMZQCIT-SFHVURJKSA-N 1 0 362.477 2.381 20 30 FEEDRO Cc1cccc(N(CCC#N)C(=O)C[NH2+]C(C)(C)CN2CCOCC2)c1C ZINC000412002795 559001506 /nfs/dbraw/zinc/00/15/06/559001506.db2.gz MZSMUGGUYOVSCW-UHFFFAOYSA-N 1 0 372.513 2.251 20 30 FEEDRO C[C@H](C(=O)NC1(C#N)CCC1)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000526059192 562265529 /nfs/dbraw/zinc/26/55/29/562265529.db2.gz OUCVACZKOONQQJ-MRXNPFEDSA-N 1 0 358.461 2.284 20 30 FEEDRO Cc1cc(N2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c(C#N)cc1[N+](=O)[O-] ZINC000413217091 559089239 /nfs/dbraw/zinc/08/92/39/559089239.db2.gz XGQOTINGUVNBIS-RDJZCZTQSA-N 1 0 357.458 2.237 20 30 FEEDRO COc1ccc(C[N@H+](CC(=O)NC2(C#N)CCC2)[C@H](CO)C(C)C)cc1 ZINC000526136153 562267974 /nfs/dbraw/zinc/26/79/74/562267974.db2.gz RTMFKMHQEQLKAH-GOSISDBHSA-N 1 0 359.470 2.077 20 30 FEEDRO CC[C@@H]1Oc2cc([C@@H](C)[NH2+][C@H](C)C(=O)NC3(C#N)CCC3)ccc2NC1=O ZINC000527044876 562274413 /nfs/dbraw/zinc/27/44/13/562274413.db2.gz BFLNMVJBZGITMJ-IOASZLSFSA-N 1 0 370.453 2.398 20 30 FEEDRO C=CCN(Cc1ccccc1)C(=O)C(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000414729162 559182690 /nfs/dbraw/zinc/18/26/90/559182690.db2.gz CJKFIKGKDFYUIZ-QGZVFWFLSA-N 1 0 364.449 2.051 20 30 FEEDRO N#Cc1cc(NC(=O)N2CCCO[C@H](C[NH3+])C2)ccc1OCC(F)(F)F ZINC000414839514 559190370 /nfs/dbraw/zinc/19/03/70/559190370.db2.gz LKCZXTPKZQQSCM-CYBMUJFWSA-N 1 0 372.347 2.081 20 30 FEEDRO C=CCSCCNC(=O)C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000414860082 559191424 /nfs/dbraw/zinc/19/14/24/559191424.db2.gz OEIWSDTXBIPUSI-UHFFFAOYSA-N 1 0 361.389 2.138 20 30 FEEDRO N#CCC[C@@H](NC(=O)C(=O)Nc1ccc(OCC[NH3+])cc1)c1ccccc1 ZINC000414991000 559199360 /nfs/dbraw/zinc/19/93/60/559199360.db2.gz PTOKRRYAOBNNSM-GOSISDBHSA-N 1 0 366.421 2.124 20 30 FEEDRO C=CC[C@H]1N(C(=O)C(=O)Nc2cnc3c(c2)C[C@@H]([NH3+])CC3)CCCC1(C)C ZINC000415196199 559213996 /nfs/dbraw/zinc/21/39/96/559213996.db2.gz RDOXYDKFLDYYLZ-MAUKXSAKSA-N 1 0 370.497 2.429 20 30 FEEDRO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)Nc2ccccc2S[C@@H](C)CC#N)C1 ZINC000415282887 559220932 /nfs/dbraw/zinc/22/09/32/559220932.db2.gz NLTCKKWFZJNBCQ-LSDHHAIUSA-N 1 0 374.510 2.477 20 30 FEEDRO C[NH2+][C@@H]1CCN(C(=O)C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)C1 ZINC000415295225 559221885 /nfs/dbraw/zinc/22/18/85/559221885.db2.gz HGNYLAREWCSXSU-MRXNPFEDSA-N 1 0 364.405 2.109 20 30 FEEDRO N#Cc1cc(NC(=O)C(=O)N2CC[C@H](C[NH3+])C2)ccc1Oc1ccccc1 ZINC000415348221 559226077 /nfs/dbraw/zinc/22/60/77/559226077.db2.gz AJJHQJXHQLUDPO-CQSZACIVSA-N 1 0 364.405 2.096 20 30 FEEDRO C[C@H]1C[NH2+]CCN1C(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000415348382 559226201 /nfs/dbraw/zinc/22/62/01/559226201.db2.gz VLEAHCGAJHLOQA-AWEZNQCLSA-N 1 0 364.405 2.109 20 30 FEEDRO N#Cc1ccccc1Oc1ccc(NC(=O)C(=O)NC[C@H]2CCC[NH2+]2)cc1 ZINC000415375626 559228759 /nfs/dbraw/zinc/22/87/59/559228759.db2.gz KGOHLTAIMCDZDP-MRXNPFEDSA-N 1 0 364.405 2.157 20 30 FEEDRO CCCN(C(=O)C(=O)Nc1ccccc1SCCC#N)[C@H]1CC[NH2+]C1 ZINC000415384739 559229727 /nfs/dbraw/zinc/22/97/27/559229727.db2.gz ABNBATTVQMLKFA-AWEZNQCLSA-N 1 0 360.483 2.231 20 30 FEEDRO N#CCc1ccc(NC(=O)C(=O)N[C@H](C[NH3+])C2CCCCC2)c(Cl)c1 ZINC000415426300 559235192 /nfs/dbraw/zinc/23/51/92/559235192.db2.gz MXQGPOYLHUBDSI-MRXNPFEDSA-N 1 0 362.861 2.368 20 30 FEEDRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)Nc2scc(C(C)(C)C)c2C#N)C1 ZINC000415427811 559235314 /nfs/dbraw/zinc/23/53/14/559235314.db2.gz CCTYGHHJYCTFKR-NWDGAFQWSA-N 1 0 362.499 2.442 20 30 FEEDRO CC(C)[C@](C)(C[NH3+])NC(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 ZINC000415455571 559238925 /nfs/dbraw/zinc/23/89/25/559238925.db2.gz JWYRSMICLAXIBB-KRWDZBQOSA-N 1 0 360.849 2.892 20 30 FEEDRO CC(C)C[C@H](C[NH3+])NC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 ZINC000415464601 559240074 /nfs/dbraw/zinc/24/00/74/559240074.db2.gz ROUARACJOPLHRB-CQSZACIVSA-N 1 0 360.849 2.892 20 30 FEEDRO C[C@H]([NH3+])C1CCN(C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)CC1 ZINC000415469708 559240715 /nfs/dbraw/zinc/24/07/15/559240715.db2.gz XVCBINWEHPDQOD-LBPRGKRZSA-N 1 0 372.860 2.988 20 30 FEEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000415478528 559241767 /nfs/dbraw/zinc/24/17/67/559241767.db2.gz ZHXQHJOLPMGUNQ-KFWWJZLASA-N 1 0 372.494 2.372 20 30 FEEDRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)Nc1scc(C(C)(C)C)c1C#N ZINC000415502565 559244218 /nfs/dbraw/zinc/24/42/18/559244218.db2.gz TYAYTUBVKSZRMU-NSHDSACASA-N 1 0 350.488 2.489 20 30 FEEDRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)Nc2ccccc2C#Cc2ccccc2)C1 ZINC000415585329 559252668 /nfs/dbraw/zinc/25/26/68/559252668.db2.gz XEIPIJUEBRULPJ-APWZRJJASA-N 1 0 361.445 2.221 20 30 FEEDRO C=C(C)COc1cccc(NC(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)c1 ZINC000415676521 559260791 /nfs/dbraw/zinc/26/07/91/559260791.db2.gz MSGAQRXBFNOOKM-QGZVFWFLSA-N 1 0 359.470 2.474 20 30 FEEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000415746153 559267086 /nfs/dbraw/zinc/26/70/86/559267086.db2.gz SMLFJBKFKNESIH-SHTZXODSSA-N 1 0 372.469 2.165 20 30 FEEDRO O=C(Nc1cccc(C#Cc2ccccc2)c1)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000415792823 559271577 /nfs/dbraw/zinc/27/15/77/559271577.db2.gz TXYMXSXNTOKDQX-FPOVZHCZSA-N 1 0 373.456 2.235 20 30 FEEDRO Cc1cccc(NC(=O)C(=O)N[C@H](CCC[NH3+])c2ccccc2)c1C#N ZINC000415825556 559275745 /nfs/dbraw/zinc/27/57/45/559275745.db2.gz ADDDKIFAAPBXRU-QGZVFWFLSA-N 1 0 350.422 2.402 20 30 FEEDRO Cc1ccc(C#N)cc1NC(=O)C(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000415859726 559279284 /nfs/dbraw/zinc/27/92/84/559279284.db2.gz NJGJYLNAFOGKOA-UHFFFAOYSA-N 1 0 366.465 2.075 20 30 FEEDRO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)c1cn(CCCC#N)c2ccccc12 ZINC000416299204 559303738 /nfs/dbraw/zinc/30/37/38/559303738.db2.gz CNWHXRBAJGYOJA-IRXDYDNUSA-N 1 0 368.481 2.472 20 30 FEEDRO C[C@H](C#N)S(=O)(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000416395677 559309943 /nfs/dbraw/zinc/30/99/43/559309943.db2.gz XEEWCJPTJMIRPL-GFCCVEGCSA-N 1 0 374.304 2.055 20 30 FEEDRO C[NH2+]CC1CCN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)CC1 ZINC000417584446 559367871 /nfs/dbraw/zinc/36/78/71/559367871.db2.gz XNVVQXQLCLAWBE-KRWDZBQOSA-N 1 0 373.476 2.307 20 30 FEEDRO N#Cc1c(F)cccc1N1CCN(C(=O)N[C@@H](C[NH3+])C2CCCCC2)CC1 ZINC000418364139 559399098 /nfs/dbraw/zinc/39/90/98/559399098.db2.gz NKSPHSVYDSLWFP-SFHVURJKSA-N 1 0 373.476 2.437 20 30 FEEDRO CN(CCOCc1ccc(C#N)cc1)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000418614174 559407852 /nfs/dbraw/zinc/40/78/52/559407852.db2.gz KNGMRSWLBSFZLK-SFHVURJKSA-N 1 0 358.486 2.494 20 30 FEEDRO C=CCCC[C@H](C)NC(=O)C(=O)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(OC)cc1 ZINC000419153570 559430256 /nfs/dbraw/zinc/43/02/56/559430256.db2.gz OUQOJJVHAGFPQC-IPELMVKDSA-N 1 0 373.497 2.118 20 30 FEEDRO C[C@@H]([NH3+])c1ccc(CNC(=O)C(=O)N[C@H](C)c2ccc(C#N)cc2)cc1 ZINC000419297307 559435825 /nfs/dbraw/zinc/43/58/25/559435825.db2.gz YSPBWKOWEYQURG-ZIAGYGMSSA-N 1 0 350.422 2.072 20 30 FEEDRO CCCN(C(=O)C(=O)N[C@@H](CCC#N)c1ccccc1)C1CC[NH2+]CC1 ZINC000419480086 559444575 /nfs/dbraw/zinc/44/45/75/559444575.db2.gz VOAZCEKXPSHELB-SFHVURJKSA-N 1 0 356.470 2.138 20 30 FEEDRO C=CCC[C@H](NC(=O)C(=O)N1CCC2(C1)CC[NH2+]CC2)c1ccccc1 ZINC000419666422 559452685 /nfs/dbraw/zinc/45/26/85/559452685.db2.gz QKUICYMKUBNNSQ-SFHVURJKSA-N 1 0 355.482 2.412 20 30 FEEDRO C=C(C)[C@H](NC(=O)C(=O)N1CCC[C@@H](CC[NH3+])C1)c1ccc(F)c(F)c1 ZINC000419669419 559452916 /nfs/dbraw/zinc/45/29/16/559452916.db2.gz BFGACCFUZDCRIU-GUYCJALGSA-N 1 0 365.424 2.286 20 30 FEEDRO C=C(C)[C@H](NC(=O)C(=O)N[C@H](C[NH3+])C1CCCC1)c1ccc(F)c(F)c1 ZINC000419678966 559453541 /nfs/dbraw/zinc/45/35/41/559453541.db2.gz OWIWNSNSOCSQCU-SJORKVTESA-N 1 0 365.424 2.332 20 30 FEEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000419888292 559463353 /nfs/dbraw/zinc/46/33/53/559463353.db2.gz LREJBHRXXLHGBE-QWHCGFSZSA-N 1 0 369.918 2.420 20 30 FEEDRO C=CCC[C@@H]1NC(=O)N(CCC[NH+]2CCN(c3ccccc3)CC2)C1=O ZINC000419920843 559464580 /nfs/dbraw/zinc/46/45/80/559464580.db2.gz HDKKTXXLDIRJQY-SFHVURJKSA-N 1 0 356.470 2.085 20 30 FEEDRO C=CCN(CCc1ccccc1)C(=O)C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000419978970 559467378 /nfs/dbraw/zinc/46/73/78/559467378.db2.gz OTBINPUGRNQSQV-LJQANCHMSA-N 1 0 357.498 2.268 20 30 FEEDRO C[NH+](C)CC[C@](C)(O)CNC(=O)c1cn(CCCC#N)c2ccccc12 ZINC000420004516 559468551 /nfs/dbraw/zinc/46/85/51/559468551.db2.gz WJTBETXAHQOTPS-FQEVSTJZSA-N 1 0 356.470 2.378 20 30 FEEDRO C=CCCCCCN(C)C(=O)C(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000420207783 559476557 /nfs/dbraw/zinc/47/65/57/559476557.db2.gz XQLLTIWZPAEZQD-UHFFFAOYSA-N 1 0 361.530 2.461 20 30 FEEDRO C[C@@H]1CC[C@@H](O)C[N@@H+]1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000421004077 559518788 /nfs/dbraw/zinc/51/87/88/559518788.db2.gz FKNFWUWAVXBKET-CZUORRHYSA-N 1 0 354.372 2.018 20 30 FEEDRO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1C[C@H](C)C[C@@H](C(=O)OC(C)(C)C)C1 ZINC000421002071 559518858 /nfs/dbraw/zinc/51/88/58/559518858.db2.gz DJIWLWBAPUAQHJ-BZUAXINKSA-N 1 0 351.491 2.294 20 30 FEEDRO C=CCSCCNC(=O)N1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000422155628 559568405 /nfs/dbraw/zinc/56/84/05/559568405.db2.gz JGAGTJMUPLVYAY-UHFFFAOYSA-N 1 0 354.564 2.107 20 30 FEEDRO C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000422301035 559576947 /nfs/dbraw/zinc/57/69/47/559576947.db2.gz WBAYHCKEJDQNPH-MOPGFXCFSA-N 1 0 369.509 2.423 20 30 FEEDRO C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)N[C@H](C)C1=CC[N@H+](C)CC1 ZINC000422422009 559587195 /nfs/dbraw/zinc/58/71/95/559587195.db2.gz FCUTYASMZGRBMR-APWZRJJASA-N 1 0 355.482 2.057 20 30 FEEDRO C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000422544944 559594048 /nfs/dbraw/zinc/59/40/48/559594048.db2.gz REIZGGCPWOXOGD-UXHICEINSA-N 1 0 369.509 2.377 20 30 FEEDRO C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000422546461 559594224 /nfs/dbraw/zinc/59/42/24/559594224.db2.gz UTZAPXILETZHFD-IBGZPJMESA-N 1 0 369.509 2.377 20 30 FEEDRO C[C@H](C(=O)NC1(C#N)CCC1)N(C)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000527298318 562284421 /nfs/dbraw/zinc/28/44/21/562284421.db2.gz ASOVSZGKWMNKMK-NVXWUHKLSA-N 1 0 354.454 2.065 20 30 FEEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CCC[C@H]([NH2+]C)C1 ZINC000423022295 559615342 /nfs/dbraw/zinc/61/53/42/559615342.db2.gz HKZGERWKYHDJQX-LBPRGKRZSA-N 1 0 355.891 2.127 20 30 FEEDRO CCN(CC)C(=O)Cn1ccc2cc(NC(=O)[C@@H]([NH3+])CCCC#N)ccc21 ZINC000424110469 559654998 /nfs/dbraw/zinc/65/49/98/559654998.db2.gz CYDUEOFNKZYTGN-KRWDZBQOSA-N 1 0 369.469 2.469 20 30 FEEDRO C[C@@H](C(=O)Nc1cccc(NC(=O)[C@H]([NH3+])CCCC#N)c1)n1cccn1 ZINC000424106264 559655044 /nfs/dbraw/zinc/65/50/44/559655044.db2.gz XHXKQLGPUDUELA-XJKSGUPXSA-N 1 0 354.414 2.042 20 30 FEEDRO CC[C@@H](C(=O)N1CCC(NC(=O)[C@@H]([NH3+])CCCC#N)CC1)c1ccccc1 ZINC000424109958 559655077 /nfs/dbraw/zinc/65/50/77/559655077.db2.gz BNZJVQBFLKDENQ-MOPGFXCFSA-N 1 0 370.497 2.309 20 30 FEEDRO C=CCn1c(-c2ccccn2)nnc1N1CC[NH+](C(C)(C)COC)CC1 ZINC000424112232 559655268 /nfs/dbraw/zinc/65/52/68/559655268.db2.gz IQGZRVMINSTITN-UHFFFAOYSA-N 1 0 356.474 2.073 20 30 FEEDRO C[C@H](CNC(=O)[C@@H]([NH3+])CCCC#N)Oc1ccc(Br)cc1 ZINC000424124173 559655448 /nfs/dbraw/zinc/65/54/48/559655448.db2.gz LZOSPLQEKJJWJS-RISCZKNCSA-N 1 0 354.248 2.354 20 30 FEEDRO COC(=O)COc1ccc(NC(=O)[C@H]([NH3+])CCCC#N)c2ccccc12 ZINC000424128661 559655611 /nfs/dbraw/zinc/65/56/11/559655611.db2.gz RRCIVLIAZMGJLE-OAHLLOKOSA-N 1 0 355.394 2.351 20 30 FEEDRO C=CCCn1cc(C(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)nn1 ZINC000424701029 559674044 /nfs/dbraw/zinc/67/40/44/559674044.db2.gz SNNNBECMMQERCS-SFHVURJKSA-N 1 0 353.470 2.448 20 30 FEEDRO C=CCCn1cc(C(=O)N[C@H](C[NH+]2CCCC2)c2ccc(OC)cc2)nn1 ZINC000424760266 559675832 /nfs/dbraw/zinc/67/58/32/559675832.db2.gz IHRBUXYASCJQNT-GOSISDBHSA-N 1 0 369.469 2.430 20 30 FEEDRO C=CCCn1cc(C(=O)NC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)nn1 ZINC000424781001 559676538 /nfs/dbraw/zinc/67/65/38/559676538.db2.gz WLOHJEXVFOYSDC-IBGZPJMESA-N 1 0 353.470 2.495 20 30 FEEDRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(c2c(C#N)cccc2[N+](=O)[O-])CC1 ZINC000425221050 559692045 /nfs/dbraw/zinc/69/20/45/559692045.db2.gz JOLQTIAZPOLLLX-HOTGVXAUSA-N 1 0 357.458 2.461 20 30 FEEDRO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000425384998 559699208 /nfs/dbraw/zinc/69/92/08/559699208.db2.gz MWOWPWGOTDZSKV-QFBILLFUSA-N 1 0 368.481 2.164 20 30 FEEDRO COC(=O)[C@H](CC[NH+]1CCN(c2cccc(C#N)n2)CC1)c1ccccc1 ZINC000425430450 559701954 /nfs/dbraw/zinc/70/19/54/559701954.db2.gz FNVZWPPOUOYIAJ-LJQANCHMSA-N 1 0 364.449 2.422 20 30 FEEDRO COCC(C)(C)[NH+]1CCN([C@@H](C)C(=O)N(CCC#N)c2ccccc2)CC1 ZINC000425513311 559707112 /nfs/dbraw/zinc/70/71/12/559707112.db2.gz ZQWYKXIAMCGFRS-SFHVURJKSA-N 1 0 372.513 2.364 20 30 FEEDRO N#Cc1ccc(NC(=O)CC[NH2+][C@H](C2CCOCC2)C2(CO)CCC2)cc1 ZINC000425539597 559708625 /nfs/dbraw/zinc/70/86/25/559708625.db2.gz KMTGHVVTIIFEGY-HXUWFJFHSA-N 1 0 371.481 2.434 20 30 FEEDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N(C)[C@@H](C)c1cccc(C#N)c1 ZINC000425883594 559723945 /nfs/dbraw/zinc/72/39/45/559723945.db2.gz MRCMABLJPUQGRW-IKGGRYGDSA-N 1 0 370.497 2.314 20 30 FEEDRO C[C@H](CCCC[NH3+])NS(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000427960923 559766360 /nfs/dbraw/zinc/76/63/60/559766360.db2.gz WIYJOGSDWRGCRX-SNVBAGLBSA-N 1 0 360.277 2.117 20 30 FEEDRO C[N@@H+]1CCC[C@@H]1CNC(=O)NC1CCC(Oc2ncccc2C#N)CC1 ZINC000527335316 562285813 /nfs/dbraw/zinc/28/58/13/562285813.db2.gz XWZNJIDWBRJTLA-AQFXKWCLSA-N 1 0 357.458 2.037 20 30 FEEDRO C=CC[C@@H](C)[C@H](C)[NH2+]C1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 ZINC000428411764 559774990 /nfs/dbraw/zinc/77/49/90/559774990.db2.gz FWZMKKCBJJTZDD-KGLIPLIRSA-N 1 0 366.483 2.021 20 30 FEEDRO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000429012119 559788307 /nfs/dbraw/zinc/78/83/07/559788307.db2.gz UJLXIECYHBVVIB-DJJJIMSYSA-N 1 0 358.511 2.463 20 30 FEEDRO CC(C)C[C@H]1C[N@H+](CCCc2ccccc2)CCN1CC(=O)NCC#N ZINC000429367785 559797000 /nfs/dbraw/zinc/79/70/00/559797000.db2.gz USPQSKXTDJBHEE-FQEVSTJZSA-N 1 0 356.514 2.291 20 30 FEEDRO COC(=O)COc1ccc(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1 ZINC000430177493 559814906 /nfs/dbraw/zinc/81/49/06/559814906.db2.gz MMDKFSSARZGBCT-GOSISDBHSA-N 1 0 367.405 2.158 20 30 FEEDRO N#CCC1(CNC(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)CC1 ZINC000430850369 559829078 /nfs/dbraw/zinc/82/90/78/559829078.db2.gz UWUZANZHJUTMDH-UHFFFAOYSA-N 1 0 356.470 2.136 20 30 FEEDRO N#Cc1cccc(NC(=O)CC[NH+]2CCN(c3cccc(O)c3)CC2)c1 ZINC000431608611 559842415 /nfs/dbraw/zinc/84/24/15/559842415.db2.gz KIBNWKVUDOGFRU-UHFFFAOYSA-N 1 0 350.422 2.415 20 30 FEEDRO CC[NH+](CC)C[C@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(C#N)nc1 ZINC000431889898 559847886 /nfs/dbraw/zinc/84/78/86/559847886.db2.gz ACZVCOXVLQVZAT-RHSMWYFYSA-N 1 0 350.488 2.132 20 30 FEEDRO C[N@H+](CC(=O)NC1CCC(Oc2ncccc2C#N)CC1)[C@@H]1CCSC1 ZINC000527364141 562286666 /nfs/dbraw/zinc/28/66/66/562286666.db2.gz YDNMGJGHWFZGQR-AQFXKWCLSA-N 1 0 374.510 2.197 20 30 FEEDRO COCCN1CCC[C@@H]1C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000433330327 559877174 /nfs/dbraw/zinc/87/71/74/559877174.db2.gz BDXHNURMJUMZLV-LJQANCHMSA-N 1 0 368.485 2.059 20 30 FEEDRO CC[C@@H]1CN(CC[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)CCO1 ZINC000433342100 559877691 /nfs/dbraw/zinc/87/76/91/559877691.db2.gz VACRWUHUDRWJQZ-LJQANCHMSA-N 1 0 368.485 2.059 20 30 FEEDRO CCN1CC[NH+](CCCCNC(=O)[C@@H](C#N)CCc2ccccc2)CC1 ZINC000433354339 559878133 /nfs/dbraw/zinc/87/81/33/559878133.db2.gz NYPVETXORIFLTB-HXUWFJFHSA-N 1 0 356.514 2.293 20 30 FEEDRO N#CCCn1cc(C[NH+]2CCC(n3cncn3)CC2)c(-c2ccncc2)n1 ZINC000435135805 559916865 /nfs/dbraw/zinc/91/68/65/559916865.db2.gz VBKSNXUXTYQENN-UHFFFAOYSA-N 1 0 362.441 2.287 20 30 FEEDRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1ccc(F)cc1C#N ZINC000435651770 559927263 /nfs/dbraw/zinc/92/72/63/559927263.db2.gz XQTYSGKTNNXGFA-INIZCTEOSA-N 1 0 360.433 2.407 20 30 FEEDRO N#Cc1cccc(NC(=O)CC[N@@H+]2CCNC(=O)C[C@@H]2c2ccccc2)c1 ZINC000435957725 559933101 /nfs/dbraw/zinc/93/31/01/559933101.db2.gz YHXXWRSEPUARFF-LJQANCHMSA-N 1 0 362.433 2.450 20 30 FEEDRO CCS(=O)(=O)C[C@@H](C)[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000437105535 559960566 /nfs/dbraw/zinc/96/05/66/559960566.db2.gz SGFKTJZLSNQSHZ-IUDNXUCKSA-N 1 0 351.472 2.056 20 30 FEEDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)Cc1ccc(C#N)cc1F ZINC000440043664 560003716 /nfs/dbraw/zinc/00/37/16/560003716.db2.gz NKDUNXAQDRHNJV-QLFBSQMISA-N 1 0 367.490 2.483 20 30 FEEDRO N#Cc1csc(C[NH2+]CCNS(=O)(=O)c2ccc(Cl)cc2F)c1 ZINC000441365462 560029935 /nfs/dbraw/zinc/02/99/35/560029935.db2.gz AZXIMRIMVMGQAX-UHFFFAOYSA-N 1 0 373.862 2.480 20 30 FEEDRO N#C[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2OCC(=O)NC[C@H]2CCCO2)C1 ZINC000442774925 560057063 /nfs/dbraw/zinc/05/70/63/560057063.db2.gz BDTWMHNQDXJVPL-KBAYOESNSA-N 1 0 357.454 2.142 20 30 FEEDRO CC(C)NC(=O)c1cnn2c1C[C@H](C[NH2+]Cc1ccc(C#N)cc1F)CC2 ZINC000442998408 560065543 /nfs/dbraw/zinc/06/55/43/560065543.db2.gz JANPVMVEOGCTFK-OAHLLOKOSA-N 1 0 369.444 2.384 20 30 FEEDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNS(=O)(=O)c2ccc(F)cc2C#N)C1 ZINC000443112687 560071136 /nfs/dbraw/zinc/07/11/36/560071136.db2.gz WRBKAGUHSCXJIB-ZIAGYGMSSA-N 1 0 353.463 2.344 20 30 FEEDRO C[NH+](C)CCOc1cccc(NC(=O)C(=O)NCC2CCC(C#N)CC2)c1 ZINC000443334734 560080605 /nfs/dbraw/zinc/08/06/05/560080605.db2.gz MVRYLBSLAKSYCK-UHFFFAOYSA-N 1 0 372.469 2.012 20 30 FEEDRO CCOc1ccc(C#N)cc1NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000443368517 560082144 /nfs/dbraw/zinc/08/21/44/560082144.db2.gz JMSWYZXUEGSDBK-GDBMZVCRSA-N 1 0 372.469 2.227 20 30 FEEDRO C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC000443866379 560094917 /nfs/dbraw/zinc/09/49/17/560094917.db2.gz FLUZWHYVXYXCDO-LPHOPBHVSA-N 1 0 357.454 2.039 20 30 FEEDRO N#Cc1cnc(C(=O)NC2CC[NH+](Cc3cccnc3)CC2)c(Cl)c1 ZINC000444263691 560107293 /nfs/dbraw/zinc/10/72/93/560107293.db2.gz BEFGXAIXFPQCRM-UHFFFAOYSA-N 1 0 355.829 2.396 20 30 FEEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cc(C#N)ccc2Cl)C[C@@H]1C ZINC000447229138 560158210 /nfs/dbraw/zinc/15/82/10/560158210.db2.gz GXCZJEFUQPFEET-GXTWGEPZSA-N 1 0 362.861 2.481 20 30 FEEDRO C=CC[C@@H]1N(C(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)CCCC1(C)C ZINC000447424464 560161869 /nfs/dbraw/zinc/16/18/69/560161869.db2.gz WLJRHPSRCIZWQY-INIZCTEOSA-N 1 0 367.453 2.799 20 30 FEEDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNS(=O)(=O)Cc1ccc(C#N)cc1F ZINC000447940948 560174039 /nfs/dbraw/zinc/17/40/39/560174039.db2.gz JLANOLLLIZIZFR-MRXNPFEDSA-N 1 0 353.463 2.237 20 30 FEEDRO COCCNS(=O)(=O)c1ccc(C[NH2+]C2CCC(C)(C#N)CC2)cc1 ZINC000449100902 560215842 /nfs/dbraw/zinc/21/58/42/560215842.db2.gz CZUJHWYYJKFUOQ-UHFFFAOYSA-N 1 0 365.499 2.173 20 30 FEEDRO C=CCCCC[C@H](C)[NH2+]C1CCN(S(=O)(=O)c2cnn(C)c2)CC1 ZINC000449164437 560218765 /nfs/dbraw/zinc/21/87/65/560218765.db2.gz PTCNKGNMXVRNRF-HNNXBMFYSA-N 1 0 354.520 2.298 20 30 FEEDRO C[C@@H]1C[N@@H+](C)C[C@H](C)N1C(=O)COc1ccc(C#N)c(Br)c1 ZINC000450245532 560255682 /nfs/dbraw/zinc/25/56/82/560255682.db2.gz YJLCRBZXAQCODL-TXEJJXNPSA-N 1 0 366.259 2.251 20 30 FEEDRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(c2cccc(C#N)c2[N+](=O)[O-])CC1 ZINC000450294965 560257428 /nfs/dbraw/zinc/25/74/28/560257428.db2.gz TYICMQATVNWLFA-HOTGVXAUSA-N 1 0 357.458 2.461 20 30 FEEDRO C[NH+](C)CCOC1CCN(c2ncc(Br)cc2C#N)CC1 ZINC000450328320 560258856 /nfs/dbraw/zinc/25/88/56/560258856.db2.gz GSZFRNDQUCEOGR-UHFFFAOYSA-N 1 0 353.264 2.263 20 30 FEEDRO N#Cc1cnc(Sc2nnc([C@H]3CCC[NH2+]C3)n2C2CC2)c([N+](=O)[O-])c1 ZINC000450339597 560259292 /nfs/dbraw/zinc/25/92/92/560259292.db2.gz BDTFDWKPSSAKJW-NSHDSACASA-N 1 0 371.426 2.406 20 30 FEEDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)COc1cccc(Br)c1C#N ZINC000450347680 560259334 /nfs/dbraw/zinc/25/93/34/560259334.db2.gz IRWQDADSQPYOHB-NWDGAFQWSA-N 1 0 366.259 2.251 20 30 FEEDRO COc1ccc([C@H](C[NH+]2CCCC2)NC(=O)c2ccc(C#N)n2C)cc1 ZINC000450523838 560265184 /nfs/dbraw/zinc/26/51/84/560265184.db2.gz KEFPISDCXJBIAZ-SFHVURJKSA-N 1 0 352.438 2.472 20 30 FEEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SC[C@@H]1COCCO1 ZINC000450746905 560272008 /nfs/dbraw/zinc/27/20/08/560272008.db2.gz SATONRNBXQEQCE-HNNXBMFYSA-N 1 0 352.504 2.000 20 30 FEEDRO N#Cc1cc(N2CC[NH+]([C@H]3CCNC(=O)CC3)CC2)ccc1C(F)(F)F ZINC000450890134 560276802 /nfs/dbraw/zinc/27/68/02/560276802.db2.gz FVVLCHCOBYBQOM-CQSZACIVSA-N 1 0 366.387 2.368 20 30 FEEDRO CC(C)(CC#N)CS(=O)(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000451384174 560303683 /nfs/dbraw/zinc/30/36/83/560303683.db2.gz NQHKSRXKLYXMFV-UHFFFAOYSA-N 1 0 371.547 2.080 20 30 FEEDRO COC(=O)[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000451593606 560316502 /nfs/dbraw/zinc/31/65/02/560316502.db2.gz SSEGZJOZWUHUPO-SQNIBIBYSA-N 1 0 355.438 2.375 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]CC(=O)Nc1sc(CC)cc1C(=O)OCC ZINC000451595562 560316616 /nfs/dbraw/zinc/31/66/16/560316616.db2.gz DICUVPFCDZHPLH-KGLIPLIRSA-N 1 0 352.456 2.359 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000451684217 560321786 /nfs/dbraw/zinc/32/17/86/560321786.db2.gz UNOOVMKOEQIVRZ-SJORKVTESA-N 1 0 366.383 2.496 20 30 FEEDRO CC(C)[C@](C)(C#N)NC(=O)CN1CC[N@H+](Cc2ccccc2)C[C@@H](C)C1 ZINC000451706005 560323386 /nfs/dbraw/zinc/32/33/86/560323386.db2.gz JFOKBTBWXOAHKZ-NQIIRXRSSA-N 1 0 356.514 2.495 20 30 FEEDRO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000451904108 560336126 /nfs/dbraw/zinc/33/61/26/560336126.db2.gz JNULCSXGTASVIP-UXLLHSPISA-N 1 0 359.388 2.400 20 30 FEEDRO CCN(C[C@@H](C)C#N)C(=O)CN(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000452125290 560353002 /nfs/dbraw/zinc/35/30/02/560353002.db2.gz YPHLGCZZAXZJFI-AWEZNQCLSA-N 1 0 362.440 2.343 20 30 FEEDRO C=CCn1c(N2CC[N@@H+](CCOCC)[C@@H](C)C2)nnc1[C@@]1(C)CCCO1 ZINC000453448036 560386757 /nfs/dbraw/zinc/38/67/57/560386757.db2.gz XTCVSKHABULROR-QFBILLFUSA-N 1 0 363.506 2.037 20 30 FEEDRO C=C(C)Cn1c(-c2nnn(C)c2C)nnc1N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000453454611 560387071 /nfs/dbraw/zinc/38/70/71/560387071.db2.gz CHJSKOWCXCLXRV-MRXNPFEDSA-N 1 0 372.521 2.126 20 30 FEEDRO C=C(C)Cn1c([C@H]2CCCO2)nnc1N1CC[N@@H+](CCOCC)[C@@H](C)C1 ZINC000453459612 560387288 /nfs/dbraw/zinc/38/72/88/560387288.db2.gz CRLXNDVWAUOPAB-DLBZAZTESA-N 1 0 363.506 2.253 20 30 FEEDRO Cc1cc(C#N)cc(NC(=O)C(=O)N(CC[NH+](C)C)Cc2ccccc2)c1 ZINC000453583786 560389757 /nfs/dbraw/zinc/38/97/57/560389757.db2.gz DFBZQIKQDOUBEX-UHFFFAOYSA-N 1 0 364.449 2.396 20 30 FEEDRO C[NH+](C)CC1CCN(C(=O)C(=O)Nc2ccc(CC#N)cc2Cl)CC1 ZINC000453594027 560390356 /nfs/dbraw/zinc/39/03/56/560390356.db2.gz DLVUFPNWAWXBHK-UHFFFAOYSA-N 1 0 362.861 2.145 20 30 FEEDRO CC1CC[NH+](CCCCNC(=O)C(=O)Nc2cccc(CC#N)c2)CC1 ZINC000453613245 560391149 /nfs/dbraw/zinc/39/11/49/560391149.db2.gz UEKWZNAVFYLJJS-UHFFFAOYSA-N 1 0 356.470 2.319 20 30 FEEDRO CC[N@H+](CCNC(=O)C(=O)Nc1ccc(CC#N)cc1Cl)C(C)C ZINC000453637930 560392442 /nfs/dbraw/zinc/39/24/42/560392442.db2.gz BWIZWQHQPDVCJR-UHFFFAOYSA-N 1 0 350.850 2.191 20 30 FEEDRO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)C[C@@H]1[NH+](C)C ZINC000453672764 560395535 /nfs/dbraw/zinc/39/55/35/560395535.db2.gz LMYKFYILRXWNTO-CJNGLKHVSA-N 1 0 372.469 2.083 20 30 FEEDRO C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)C1 ZINC000453711258 560398730 /nfs/dbraw/zinc/39/87/30/560398730.db2.gz DMWJRTYONDJMFV-MRXNPFEDSA-N 1 0 372.469 2.227 20 30 FEEDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(CC#N)cc1Cl ZINC000453740024 560400762 /nfs/dbraw/zinc/40/07/62/560400762.db2.gz IMPIHDSMAXHQQK-AWEZNQCLSA-N 1 0 362.861 2.335 20 30 FEEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000453920821 560413283 /nfs/dbraw/zinc/41/32/83/560413283.db2.gz RNTQFRZDTXEPGT-IJEWVQPXSA-N 1 0 372.494 2.182 20 30 FEEDRO C=C(CC)CNC(=O)C(=O)Nc1cccc(N2CC[NH+](C(C)C)CC2)c1 ZINC000454020566 560422577 /nfs/dbraw/zinc/42/25/77/560422577.db2.gz CKVHPVFOTOVGHI-UHFFFAOYSA-N 1 0 358.486 2.238 20 30 FEEDRO C=C(CC)CNC(=O)C(=O)Nc1ccccc1CN1C[C@@H](C)O[C@@H](C)C1 ZINC000454022270 560422688 /nfs/dbraw/zinc/42/26/88/560422688.db2.gz DNRCQMVOCWXHIT-IYBDPMFKSA-N 1 0 359.470 2.317 20 30 FEEDRO C[NH+](C)CCc1ccc(NC(=O)C(=O)NCc2ccc(C#N)c(F)c2)cc1 ZINC000454040361 560424225 /nfs/dbraw/zinc/42/42/25/560424225.db2.gz SGSIZZNDLYFUME-UHFFFAOYSA-N 1 0 368.412 2.056 20 30 FEEDRO C=CCC[C@H](CO)NC(=O)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000454053069 560425235 /nfs/dbraw/zinc/42/52/35/560425235.db2.gz HWFSGERNURJZEQ-GOSISDBHSA-N 1 0 359.470 2.054 20 30 FEEDRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cccc(OCCCC#N)c2)C1 ZINC000454102152 560429450 /nfs/dbraw/zinc/42/94/50/560429450.db2.gz OWQPCISOOBEEMO-QGZVFWFLSA-N 1 0 372.469 2.249 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1NC(=O)NC[C@@H](C(CC)CC)[NH+]1CCOCC1 ZINC000454231575 560435768 /nfs/dbraw/zinc/43/57/68/560435768.db2.gz UHXBWFAXGWFOOE-SQNIBIBYSA-N 1 0 353.507 2.156 20 30 FEEDRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)Nc1cnc(C#N)c(Cl)c1 ZINC000455773968 560494472 /nfs/dbraw/zinc/49/44/72/560494472.db2.gz CDPVYXDDVAWVBB-UHFFFAOYSA-N 1 0 364.881 2.096 20 30 FEEDRO C[C@H]1C[N@H+](C)CCN1c1ccc(Br)cc1NC(=O)CC#N ZINC000456378489 560518264 /nfs/dbraw/zinc/51/82/64/560518264.db2.gz VECIZCADLVAFDG-NSHDSACASA-N 1 0 351.248 2.442 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1NC(=O)NC[C@H](c1ccccc1OC)[NH+]1CCCC1 ZINC000457481040 560569452 /nfs/dbraw/zinc/56/94/52/560569452.db2.gz LOQRGFHABTZTMZ-KURKYZTESA-N 1 0 359.470 2.475 20 30 FEEDRO C[C@H](Cc1cnn(C)c1)C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000457493140 560570272 /nfs/dbraw/zinc/57/02/72/560570272.db2.gz DXODCNKCGSAQEZ-MRXNPFEDSA-N 1 0 353.470 2.061 20 30 FEEDRO C=C(C)[C@H]1OCCC[C@H]1C(=O)Nc1ccc(OC[C@@H](O)C[NH+](C)C)cc1 ZINC000457636838 560579115 /nfs/dbraw/zinc/57/91/15/560579115.db2.gz TXDXPPGKCWNYID-QXAKKESOSA-N 1 0 362.470 2.298 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCC(C)(C)C(C)(C)O ZINC000459126095 560668351 /nfs/dbraw/zinc/66/83/51/560668351.db2.gz ZCALYWQNBCDRPI-UHFFFAOYSA-N 1 0 360.502 2.429 20 30 FEEDRO C[N@H+](CCCCNC(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1)C1CC1 ZINC000459174375 560672372 /nfs/dbraw/zinc/67/23/72/560672372.db2.gz ZXKWYNUOGOAPGB-FQEVSTJZSA-N 1 0 369.513 2.280 20 30 FEEDRO C[N@@H+]1CCCC[C@@H]1CN1CCN(Cc2c(C#N)cccc2[N+](=O)[O-])CC1 ZINC000459348837 560681567 /nfs/dbraw/zinc/68/15/67/560681567.db2.gz NBFVCTOAJBKFKR-QGZVFWFLSA-N 1 0 357.458 2.068 20 30 FEEDRO N#C[C@H]1CCC[C@@H]1NCC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000459444840 560686967 /nfs/dbraw/zinc/68/69/67/560686967.db2.gz BFRPCDWRBAXIIO-AEFFLSMTSA-N 1 0 358.511 2.456 20 30 FEEDRO CC(C)[C@H](C#N)N1CCN(C(=O)C[NH2+][C@@H](C)CCCc2cccnc2)CC1 ZINC000459645507 560699612 /nfs/dbraw/zinc/69/96/12/560699612.db2.gz ZMEMBBSFOHBXTR-ICSRJNTNSA-N 1 0 371.529 2.075 20 30 FEEDRO CC[C@]1(C)CCN(C(=O)C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)C1 ZINC000459930124 560720681 /nfs/dbraw/zinc/72/06/81/560720681.db2.gz SHGHXZAIPQMHLP-OAQYLSRUSA-N 1 0 370.497 2.097 20 30 FEEDRO CN(CCOCc1ccc(C#N)cc1)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000460133686 560736006 /nfs/dbraw/zinc/73/60/06/560736006.db2.gz YUTYTYJBWRFOLK-OALUTQOASA-N 1 0 356.470 2.343 20 30 FEEDRO C=C(C)Cn1c(C(=O)NC(C)C)nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000460953769 560757049 /nfs/dbraw/zinc/75/70/49/560757049.db2.gz ULLGHPMSLSEOGC-HOTGVXAUSA-N 1 0 362.522 2.159 20 30 FEEDRO Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)[C@H](C)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000461852231 560785398 /nfs/dbraw/zinc/78/53/98/560785398.db2.gz JSVNYFFJQBNLQU-KKUMJFAQSA-N 1 0 352.442 2.647 20 30 FEEDRO C[C@@H](C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1)c1cccc(C#N)c1 ZINC000461906756 560787330 /nfs/dbraw/zinc/78/73/30/560787330.db2.gz BSVJVPNHSYQMEC-MRXNPFEDSA-N 1 0 363.465 2.125 20 30 FEEDRO C[C@H](C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1)c1cccc(C#N)c1 ZINC000462022811 560793248 /nfs/dbraw/zinc/79/32/48/560793248.db2.gz HIHNARIVGVJNDF-INIZCTEOSA-N 1 0 354.498 2.337 20 30 FEEDRO N#Cc1cccnc1-n1cc(NC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)cn1 ZINC000462069879 560794937 /nfs/dbraw/zinc/79/49/37/560794937.db2.gz FBKNDRFMFHALPH-KRWDZBQOSA-N 1 0 365.441 2.231 20 30 FEEDRO COC(=O)[C@@H](C)[C@H]([NH2+]CC(=O)NCc1cccc(C#N)c1)c1ccccc1 ZINC000464873813 560854214 /nfs/dbraw/zinc/85/42/14/560854214.db2.gz HXQYRIOUJAJDGQ-YWZLYKJASA-N 1 0 365.433 2.314 20 30 FEEDRO COc1cc(C#N)ccc1OCCCC(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000467022456 560901722 /nfs/dbraw/zinc/90/17/22/560901722.db2.gz IOSAOSGOWRJFBK-RHSMWYFYSA-N 1 0 357.454 2.325 20 30 FEEDRO C[NH+](C)[C@]1(CNC(=O)c2cc(-c3cccc(C#N)c3)no2)CCSC1 ZINC000469323362 560952415 /nfs/dbraw/zinc/95/24/15/560952415.db2.gz ZSFNGFYDJXWCGQ-SFHVURJKSA-N 1 0 356.451 2.380 20 30 FEEDRO C[C@@H](C#N)C(=O)NCc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1 ZINC000469720286 560962860 /nfs/dbraw/zinc/96/28/60/560962860.db2.gz LRZHQGZVIYKWLX-LBPRGKRZSA-N 1 0 354.376 2.233 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CC[C@@](C)(C(=O)OC)C1)C(C)C ZINC000470900298 560993241 /nfs/dbraw/zinc/99/32/41/560993241.db2.gz OTQZABMHPMQCNG-QFBILLFUSA-N 1 0 351.491 2.280 20 30 FEEDRO CNC(=O)c1cc2cc(NC(=O)N(CCC#N)CCC[NH+](C)C)ccc2[nH]1 ZINC000471351313 561002711 /nfs/dbraw/zinc/00/27/11/561002711.db2.gz WCZUWYVIMHYEJP-UHFFFAOYSA-N 1 0 370.457 2.227 20 30 FEEDRO CC[NH+](CC)CCO[C@H]1CCN(CC(=O)N(C)C2(C#N)CCCCC2)C1 ZINC000472289845 561023414 /nfs/dbraw/zinc/02/34/14/561023414.db2.gz AERGOEQRXCHIES-SFHVURJKSA-N 1 0 364.534 2.104 20 30 FEEDRO CCC[NH+]1CCC(NC(=O)[C@H]2CCC(=O)N2Cc2cccc(C#N)c2)CC1 ZINC000473384415 561049032 /nfs/dbraw/zinc/04/90/32/561049032.db2.gz DEKQONUVVWYISD-LJQANCHMSA-N 1 0 368.481 2.040 20 30 FEEDRO C=CCOc1c(Br)cc(C[NH2+][C@H](CO)COC)cc1OC ZINC000475507604 561098839 /nfs/dbraw/zinc/09/88/39/561098839.db2.gz KJKFOMUQMKCIKB-GFCCVEGCSA-N 1 0 360.248 2.119 20 30 FEEDRO COc1cccc([C@H]2[C@@H](NC(=O)c3cnn(C)c3C#N)CC[N@@H+]2C2CC2)c1 ZINC000476603764 561124092 /nfs/dbraw/zinc/12/40/92/561124092.db2.gz WIZBGUFFHFPNLR-HKUYNNGSSA-N 1 0 365.437 2.008 20 30 FEEDRO N#Cc1ccccc1OC[C@H](O)C[NH+]1CCC(C(=O)N2CCCCC2)CC1 ZINC000528346123 562323853 /nfs/dbraw/zinc/32/38/53/562323853.db2.gz PENWZIRNKUKYBW-LJQANCHMSA-N 1 0 371.481 2.022 20 30 FEEDRO CCCCN(C)C(=O)C1CC[NH+](C[C@H](O)COc2ccccc2C#N)CC1 ZINC000528352957 562324330 /nfs/dbraw/zinc/32/43/30/562324330.db2.gz GWZJJNVKFAMLQK-IBGZPJMESA-N 1 0 373.497 2.268 20 30 FEEDRO Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1CC#CCN1C(=O)c2ccccc2C1=O ZINC000528431602 562329030 /nfs/dbraw/zinc/32/90/30/562329030.db2.gz WXPJEAQQKXUROS-SFHVURJKSA-N 1 0 362.433 2.463 20 30 FEEDRO O=C1c2ccccc2C(=O)N1CC#CC[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000528479153 562331584 /nfs/dbraw/zinc/33/15/84/562331584.db2.gz VQBPOWASPYEBLW-GUDVDZBRSA-N 1 0 364.445 2.223 20 30 FEEDRO CC(C)[C@@H]1CN(S(=O)(=O)CC2(C#N)CC2)CCN1Cc1ccccc1 ZINC000528488877 562332067 /nfs/dbraw/zinc/33/20/67/562332067.db2.gz KIYOZARICIRPAN-SFHVURJKSA-N 1 0 361.511 2.462 20 30 FEEDRO O=C1c2ccccc2C(=O)N1CC#CC[NH2+][C@H]1CCCC12CCOCC2 ZINC000528494019 562332204 /nfs/dbraw/zinc/33/22/04/562332204.db2.gz OAWNHNKGJOKMER-SFHVURJKSA-N 1 0 352.434 2.225 20 30 FEEDRO CC1(C)CN(CC#CCN2C(=O)c3ccccc3C2=O)[C@@H]1[C@@H]1CCCO1 ZINC000528504126 562332769 /nfs/dbraw/zinc/33/27/69/562332769.db2.gz MQZIDTXJLWPXOS-ZWKOTPCHSA-N 1 0 352.434 2.175 20 30 FEEDRO O=C1c2ccccc2C(=O)N1CC#CCN1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000528504147 562332847 /nfs/dbraw/zinc/33/28/47/562332847.db2.gz BPYHFAONGNIAMU-RTBURBONSA-N 1 0 364.445 2.320 20 30 FEEDRO CC(C)[C@]1(CO)CCC[N@H+](CC#CCN2C(=O)c3ccccc3C2=O)C1 ZINC000528511157 562333197 /nfs/dbraw/zinc/33/31/97/562333197.db2.gz DMNJHAHGRUXDMM-OAQYLSRUSA-N 1 0 354.450 2.017 20 30 FEEDRO N#Cc1cccc(-c2nnc(C[N@H+]3CC4(CCOCC4)CC[C@H]3CO)o2)c1 ZINC000528642847 562340037 /nfs/dbraw/zinc/34/00/37/562340037.db2.gz WXLFJLHYKVDXEF-KRWDZBQOSA-N 1 0 368.437 2.362 20 30 FEEDRO N#Cc1cccc(Oc2ccc(NC(=O)NC[C@H]3COCC[NH2+]3)cc2)c1 ZINC000528681534 562341571 /nfs/dbraw/zinc/34/15/71/562341571.db2.gz OSRULWKCVCPJMI-INIZCTEOSA-N 1 0 352.394 2.460 20 30 FEEDRO CC1(N2CCOCC2)CC[NH+](CCC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000528727164 562344314 /nfs/dbraw/zinc/34/43/14/562344314.db2.gz FVZJSYQNGBPISI-UHFFFAOYSA-N 1 0 356.470 2.074 20 30 FEEDRO COCc1ccc(NC(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cc1C#N ZINC000529212079 562365007 /nfs/dbraw/zinc/36/50/07/562365007.db2.gz MYLKHEZGUFTORY-OALUTQOASA-N 1 0 372.469 2.204 20 30 FEEDRO COCc1ccc(NC(=O)N2CC[NH+](C3CCOCC3)CC2)cc1C#N ZINC000529212965 562365164 /nfs/dbraw/zinc/36/51/64/562365164.db2.gz QCBRNVLEPCKNTJ-UHFFFAOYSA-N 1 0 358.442 2.033 20 30 FEEDRO COc1cccc(N2CC[C@H]([NH2+]C[C@@H](O)COc3ccccc3C#N)C2)c1 ZINC000530231301 562403126 /nfs/dbraw/zinc/40/31/26/562403126.db2.gz OBAJDAQTMHMCJT-PKOBYXMFSA-N 1 0 367.449 2.175 20 30 FEEDRO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CC[C@H](Cc2cnn(C)c2)C1 ZINC000530627744 562418356 /nfs/dbraw/zinc/41/83/56/562418356.db2.gz SDZHSYXJHCJCLP-XLIONFOSSA-N 1 0 355.482 2.453 20 30 FEEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)C[C@H]1C ZINC000531012688 562431898 /nfs/dbraw/zinc/43/18/98/562431898.db2.gz HIXHSHJULDEJMD-DOMZBBRYSA-N 1 0 362.861 2.481 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)c2ccc(=O)n(-c3cccc(F)c3)c2)CC1 ZINC000531192328 562437887 /nfs/dbraw/zinc/43/78/87/562437887.db2.gz DVLYCCDWTCGLRY-UHFFFAOYSA-N 1 0 355.413 2.357 20 30 FEEDRO C[N@H+](CC1CC1)C[C@@H]1CCN(S(=O)(=O)c2ccc(C#N)cc2F)C1 ZINC000531282420 562440473 /nfs/dbraw/zinc/44/04/73/562440473.db2.gz DCNNZQYCCQDDRQ-HNNXBMFYSA-N 1 0 351.447 2.050 20 30 FEEDRO C[NH+]1CCN(CCOc2ccc(NC(=O)c3ccc(C#N)s3)cc2)CC1 ZINC000531391370 562444495 /nfs/dbraw/zinc/44/44/95/562444495.db2.gz NEUZNWJEKLIFQG-UHFFFAOYSA-N 1 0 370.478 2.498 20 30 FEEDRO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)c1ccc(C#N)cn1 ZINC000531427241 562445599 /nfs/dbraw/zinc/44/55/99/562445599.db2.gz UWNYHGPZAXYFBJ-UHFFFAOYSA-N 1 0 369.513 2.222 20 30 FEEDRO CC(C)(C)OC(=O)C[C@@H]1CCCN(CC(=O)N(CCC#N)CCC#N)C1 ZINC000531614928 562451653 /nfs/dbraw/zinc/45/16/53/562451653.db2.gz KPMLYSFWZAIQJC-INIZCTEOSA-N 1 0 362.474 2.086 20 30 FEEDRO C[NH+]1CCC(C#N)(NC(=O)Cc2cccc(OCC(F)(F)F)c2)CC1 ZINC000532756358 562487623 /nfs/dbraw/zinc/48/76/23/562487623.db2.gz CXEITUYUOSRECN-UHFFFAOYSA-N 1 0 355.360 2.274 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CC(=O)N(Cc3ccccc3)C2)CC1 ZINC000534275797 562529510 /nfs/dbraw/zinc/52/95/10/562529510.db2.gz CEYYIPINPOONDS-UHFFFAOYSA-N 1 0 356.470 2.038 20 30 FEEDRO N#Cc1ccc([C@@H]([NH2+][C@@H]2CCCN(c3ccccc3F)C2)C(N)=O)cc1 ZINC000536466946 562576168 /nfs/dbraw/zinc/57/61/68/562576168.db2.gz IAIXLKIJUNNIBR-VQIMIIECSA-N 1 0 352.413 2.482 20 30 FEEDRO COC(=O)CC[N@@H+]1CCN(Cc2ccc(C#N)cc2OC(F)F)[C@H](C)C1 ZINC000537118453 562585822 /nfs/dbraw/zinc/58/58/22/562585822.db2.gz MRMGWTYARQMGNF-CYBMUJFWSA-N 1 0 367.396 2.229 20 30 FEEDRO C=CC[C@H](CO)NC(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000540997776 562599930 /nfs/dbraw/zinc/59/99/30/562599930.db2.gz LYJHGZBBEQIUCO-MRXNPFEDSA-N 1 0 353.507 2.036 20 30 FEEDRO CC(C)(CNC(=O)N1CCN(c2cccc(C#N)n2)CC1)[NH+]1CCCCC1 ZINC000546171958 562634711 /nfs/dbraw/zinc/63/47/11/562634711.db2.gz GPQCDLNALMQHPT-UHFFFAOYSA-N 1 0 370.501 2.049 20 30 FEEDRO N#Cc1cnn2cc(C[NH2+]Cc3ccc(OCC(F)(F)F)nc3)cnc12 ZINC000550157033 562643500 /nfs/dbraw/zinc/64/35/00/562643500.db2.gz RDVIESDVSKLZMO-UHFFFAOYSA-N 1 0 362.315 2.227 20 30 FEEDRO C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N(C)[C@H]1CCC[C@H]1C#N ZINC000601853440 567861125 /nfs/dbraw/zinc/86/11/25/567861125.db2.gz AMMSOGKHZYWYCO-YVSFHVDLSA-N 1 0 356.474 2.128 20 30 FEEDRO Cc1cc(NC(=O)C(=O)N(C)[C@H]2CCC[C@H]2C#N)ccc1OCC[NH+](C)C ZINC000602061723 567922652 /nfs/dbraw/zinc/92/26/52/567922652.db2.gz GSSJUKQFSQLIRH-RDJZCZTQSA-N 1 0 372.469 2.025 20 30 FEEDRO Cc1nc(SCC(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)c(C#N)c(C)c1C ZINC000568151838 567948171 /nfs/dbraw/zinc/94/81/71/567948171.db2.gz NQDNEWREHOFTJB-DOTOQJQBSA-N 1 0 358.511 2.475 20 30 FEEDRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CCc3c(CC#N)cccc3C2)C1 ZINC000602232075 567958002 /nfs/dbraw/zinc/95/80/02/567958002.db2.gz ZIHCVFNXQSDDAN-LJQANCHMSA-N 1 0 370.497 2.177 20 30 FEEDRO CNC(=O)[C@@H](C[NH2+]Cc1cc(C#N)cs1)Cc1ccc(OC)c(F)c1 ZINC000568390766 568036542 /nfs/dbraw/zinc/03/65/42/568036542.db2.gz IASMXOWXFJEDFH-CQSZACIVSA-N 1 0 361.442 2.462 20 30 FEEDRO C[C@H](C(=O)NC1(C#N)CCCCC1)n1cc(CC[NH+]2CCCCC2)nn1 ZINC000603177773 568068253 /nfs/dbraw/zinc/06/82/53/568068253.db2.gz UERDDPVHZXLQAV-MRXNPFEDSA-N 1 0 358.490 2.210 20 30 FEEDRO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)n1cc(C[C@@H]2CCC[NH2+]C2)nn1 ZINC000603195096 568072579 /nfs/dbraw/zinc/07/25/79/568072579.db2.gz YHWYJURXMGLLPH-RXCRORICSA-N 1 0 372.517 2.312 20 30 FEEDRO CC[NH2+]Cc1cn(CC(=O)Nc2ccccc2SC[C@@H](C)C#N)nn1 ZINC000603214096 568076567 /nfs/dbraw/zinc/07/65/67/568076567.db2.gz BCPAJVOBUYFYAQ-ZDUSSCGKSA-N 1 0 358.471 2.278 20 30 FEEDRO C=CC[C@@H]1CCN(C(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)C1 ZINC000636899332 568183809 /nfs/dbraw/zinc/18/38/09/568183809.db2.gz DWOJFTWKZLFTND-QGZVFWFLSA-N 1 0 364.534 2.221 20 30 FEEDRO C[C@@H](NC(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C)c1cncc(F)c1 ZINC000330319327 568237643 /nfs/dbraw/zinc/23/76/43/568237643.db2.gz RGCNGEKFMXYRQQ-UONOGXRCSA-N 1 0 350.438 2.381 20 30 FEEDRO CCCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](Cc2cnc3c(C#N)cnn3c2)C1 ZINC000568884342 568247941 /nfs/dbraw/zinc/24/79/41/568247941.db2.gz CITMJMDRVFTJCR-GOEBONIOSA-N 1 0 354.458 2.118 20 30 FEEDRO C[C@@H]([NH3+])c1ccc(CNC(=O)N2CCN(c3cnccc3C#N)CC2)cc1 ZINC000569323264 568376797 /nfs/dbraw/zinc/37/67/97/568376797.db2.gz ARPCSFLQIUKDAS-OAHLLOKOSA-N 1 0 364.453 2.005 20 30 FEEDRO N#Cc1ccccc1NC(=O)CC[N@@H+]1CCC[C@@H](N2CCCC2=O)CC1 ZINC000570612437 568490980 /nfs/dbraw/zinc/49/09/80/568490980.db2.gz IBJVGLSOBDAWFK-QGZVFWFLSA-N 1 0 354.454 2.364 20 30 FEEDRO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccc(C#N)c(F)c1)c1ccc(F)cc1 ZINC000570891746 568612793 /nfs/dbraw/zinc/61/27/93/568612793.db2.gz CXCPZJJEDYCLJE-QGZVFWFLSA-N 1 0 372.375 2.194 20 30 FEEDRO N#Cc1cccc(CN2CCC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)CC2)c1 ZINC000737722041 598417422 /nfs/dbraw/zinc/41/74/22/598417422.db2.gz DZMXNNQNWIRKEL-UHFFFAOYSA-N 1 0 373.464 2.446 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1sccc1-c1nn[nH]n1)C(C)C ZINC000735419620 598811637 /nfs/dbraw/zinc/81/16/37/598811637.db2.gz YEEGAIJRWALOOT-CQSZACIVSA-N 1 0 360.487 2.357 20 30 FEEDRO C[C@H]([NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1)C(=O)Nc1cccc(C#N)c1 ZINC000820414054 599391708 /nfs/dbraw/zinc/39/17/08/599391708.db2.gz WYEYDTXDSQGBHC-STQMWFEESA-N 1 0 361.409 2.416 20 30 FEEDRO C=CCOCC[NH+]1CCN(Cc2ccc(OC)c(OC)c2OC)CC1 ZINC000559035008 674525175 /nfs/dbraw/zinc/52/51/75/674525175.db2.gz UZZXFDDNPMMKFB-UHFFFAOYSA-N 1 0 350.459 2.033 20 30 FEEDRO C[C@H]([NH2+]CCC(=O)Nc1sccc1C#N)c1cccc(-c2nn[nH]n2)c1 ZINC000824586006 608484610 /nfs/dbraw/zinc/48/46/10/608484610.db2.gz WFZIOESJVQVCGF-NSHDSACASA-N 1 0 367.438 2.479 20 30 FEEDRO COc1cc(-c2nn[nH]n2)ccc1OCC[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000826176547 608492728 /nfs/dbraw/zinc/49/27/28/608492728.db2.gz UFDLTGWTLNDWOK-ZDUSSCGKSA-N 1 0 364.409 2.477 20 30 FEEDRO N#Cc1ccc(NC(=O)CC[NH2+]C2(c3cccc(-c4nn[nH]n4)c3)CC2)cc1 ZINC000826385727 608530774 /nfs/dbraw/zinc/53/07/74/608530774.db2.gz YEQMGBUTWXUNNE-UHFFFAOYSA-N 1 0 373.420 2.346 20 30 FEEDRO CC(=NOC/C=C\Cl)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000811669861 674619530 /nfs/dbraw/zinc/61/95/30/674619530.db2.gz VVDFFZQZMPHHIG-AALPDTQRSA-N 1 0 373.906 2.410 20 30 FEEDRO C#C[C@@H](NC(=O)N[C@H](C)CC[NH+]1CCN(C)CC1)c1ccc(Cl)cc1 ZINC000811904770 674637712 /nfs/dbraw/zinc/63/77/12/674637712.db2.gz MRHZIIUNXVPWTR-CRAIPNDOSA-N 1 0 362.905 2.340 20 30 FEEDRO C=CCSCCNC(=O)C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000561322521 674656593 /nfs/dbraw/zinc/65/65/93/674656593.db2.gz QTEZTLLCDRAIBT-UHFFFAOYSA-N 1 0 367.559 2.181 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)NCC2([NH+]3CCSCC3)CCCCC2)o1 ZINC000561512901 674674105 /nfs/dbraw/zinc/67/41/05/674674105.db2.gz RRTCPPVOONOUCC-UHFFFAOYSA-N 1 0 369.512 2.181 20 30 FEEDRO CN(CCC#N)C[C@H](O)C[NH2+][C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000562991638 674831972 /nfs/dbraw/zinc/83/19/72/674831972.db2.gz RZNPNQSTMIKIPO-COXVUDFISA-N 1 0 355.841 2.105 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@H]2C[C@H](c3cccc(F)c3)C2)nc1 ZINC000563003805 674833807 /nfs/dbraw/zinc/83/38/07/674833807.db2.gz YAMCRAXTHGKWOA-JCNLHEQBSA-N 1 0 359.426 2.402 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cccc(C(F)F)c1Cl ZINC000815860982 674978835 /nfs/dbraw/zinc/97/88/35/674978835.db2.gz KUZFTEANVOFFGL-UHFFFAOYSA-N 1 0 357.788 2.287 20 30 FEEDRO CCNC(=S)C(C(=O)c1ccc(OCC)cc1)[n+]1cccc(CO)c1 ZINC000022686753 670042902 /nfs/dbraw/zinc/04/29/02/670042902.db2.gz JBZXSIQWSNVSEJ-UHFFFAOYSA-O 1 0 359.471 2.413 20 30 FEEDRO CNC(=O)[C@@H](C[NH2+]Cc1ccc(C#N)s1)Cc1ccc(OC)c(F)c1 ZINC000564961670 675082095 /nfs/dbraw/zinc/08/20/95/675082095.db2.gz VMFKVMJPKBRNLZ-CYBMUJFWSA-N 1 0 361.442 2.462 20 30 FEEDRO C[NH+]=C(NCc1cnn(C)c1)N(C)Cc1ccc(Br)cc1 ZINC000073761702 670506727 /nfs/dbraw/zinc/50/67/27/670506727.db2.gz FELXOAKIBYGGSX-UHFFFAOYSA-N 1 0 350.264 2.390 20 30 FEEDRO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1cccc(C#N)c1Br ZINC000570982297 670797317 /nfs/dbraw/zinc/79/73/17/670797317.db2.gz CSLLPRTYXPDPHF-ZDUSSCGKSA-N 1 0 368.275 2.143 20 30 FEEDRO CC1CCN([C@H](C[NH2+]C[C@H](O)CN(C)CCC#N)c2cccs2)CC1 ZINC000565762838 675149415 /nfs/dbraw/zinc/14/94/15/675149415.db2.gz ZCUQHXYKEDTNJO-ZWKOTPCHSA-N 1 0 364.559 2.317 20 30 FEEDRO CCOC(=O)c1cccc(OC[C@@H](O)C[NH2+]Cc2ccc(C#N)s2)c1 ZINC000572751225 671040207 /nfs/dbraw/zinc/04/02/07/671040207.db2.gz ADAZCTVJFGPUMA-AWEZNQCLSA-N 1 0 360.435 2.326 20 30 FEEDRO N#C[C@H](c1cccs1)N1CCN(C(=O)C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)CC1 ZINC000566054770 675176312 /nfs/dbraw/zinc/17/63/12/675176312.db2.gz WSXLIQMWSQDPKA-YYIAUSFCSA-N 1 0 358.511 2.235 20 30 FEEDRO N#CCC[C@@H](C#N)C[NH2+]C[C@H](O)COc1ccccc1Br ZINC000574519694 671249804 /nfs/dbraw/zinc/24/98/04/671249804.db2.gz XERBGQZQFKBREH-STQMWFEESA-N 1 0 352.232 2.222 20 30 FEEDRO CC(C)([NH2+]C[C@@H]1CNc2c(C#N)cnn2C1)c1cc(C(F)(F)F)on1 ZINC000575401958 671312258 /nfs/dbraw/zinc/31/22/58/671312258.db2.gz VLJBYJBFIHCYPE-VIFPVBQESA-N 1 0 354.336 2.328 20 30 FEEDRO N#Cc1ccc(OC[C@H](O)C[NH2+]C2CCN(c3nccs3)CC2)cc1 ZINC000575982131 671335343 /nfs/dbraw/zinc/33/53/43/671335343.db2.gz HLRXWGXZHXQFHL-MRXNPFEDSA-N 1 0 358.467 2.013 20 30 FEEDRO C#CCSCCNC(=O)NC[C@H](c1ccccc1OC)[NH+]1CCCC1 ZINC000118961982 671889606 /nfs/dbraw/zinc/88/96/06/671889606.db2.gz BASYZXYGTABQSH-QGZVFWFLSA-N 1 0 361.511 2.498 20 30 FEEDRO N#Cc1ncc(NC(=O)N2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)cc1Cl ZINC000582833556 672038147 /nfs/dbraw/zinc/03/81/47/672038147.db2.gz HBWHBPJCVDVIGY-GOEBONIOSA-N 1 0 363.849 2.357 20 30 FEEDRO C[NH+]=C(NCc1nc(C)c(C)s1)N1CCN([C@@H](C)C(F)(F)F)CC1 ZINC000133329672 672109160 /nfs/dbraw/zinc/10/91/60/672109160.db2.gz BOHUZBYICNQTTE-LBPRGKRZSA-N 1 0 363.453 2.404 20 30 FEEDRO N#Cc1csc(C[NH2+]CCCNS(=O)(=O)c2ccccc2Cl)n1 ZINC000584237024 672169013 /nfs/dbraw/zinc/16/90/13/672169013.db2.gz IGEMIHMWVVNICL-UHFFFAOYSA-N 1 0 370.887 2.126 20 30 FEEDRO C[C@H](CNC(=O)OC(C)(C)C)N(C)CC(=O)NC1(C#N)CCCCC1 ZINC000171955188 672337941 /nfs/dbraw/zinc/33/79/41/672337941.db2.gz PHIDZYFUEZBNIV-CQSZACIVSA-N 1 0 352.479 2.174 20 30 FEEDRO CC[C@@H](C#N)Oc1cc(C[NH2+][C@H]2CCCS(=O)(=O)C2)ccc1OC ZINC000183256722 672463745 /nfs/dbraw/zinc/46/37/45/672463745.db2.gz MDGZSQVUOGIBTG-GJZGRUSLSA-N 1 0 352.456 2.043 20 30 FEEDRO N#Cc1ccc(F)c(CS(=O)(=O)N2CCC[C@@H]2C[NH+]2CCCC2)c1 ZINC000611232398 676026980 /nfs/dbraw/zinc/02/69/80/676026980.db2.gz VITJYMPWWULGNT-MRXNPFEDSA-N 1 0 351.447 2.087 20 30 FEEDRO CSCCCCCNC1=[NH+]C[C@H]2CN(C(=O)OC(C)(C)C)CCN12 ZINC000187051333 672561690 /nfs/dbraw/zinc/56/16/90/672561690.db2.gz VQNHRXULBOXQIY-AWEZNQCLSA-N 1 0 356.536 2.400 20 30 FEEDRO N#CCN1CCC([NH2+]Cc2ccc(I)cc2)CC1 ZINC000590645554 672598432 /nfs/dbraw/zinc/59/84/32/672598432.db2.gz HGUMATLDGLWZKZ-UHFFFAOYSA-N 1 0 355.223 2.369 20 30 FEEDRO C=CCn1c(C2CC2)nn(CN2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)c1=S ZINC000188962258 672603836 /nfs/dbraw/zinc/60/38/36/672603836.db2.gz BFINMNOZQHSSLG-AWEZNQCLSA-N 1 0 365.547 2.212 20 30 FEEDRO C[NH+]=C(NCCN1CCOCC1)NCc1ccc(C(F)(F)F)cc1C ZINC000191732467 672674440 /nfs/dbraw/zinc/67/44/40/672674440.db2.gz YVOIOYXJUFUNAK-UHFFFAOYSA-N 1 0 358.408 2.011 20 30 FEEDRO N#Cc1ccc(N2CCN(C(=O)N[C@H]3CCC[NH2+]CC3)CC2)c(Cl)c1 ZINC000591360629 672675986 /nfs/dbraw/zinc/67/59/86/672675986.db2.gz QARZFYGDEZGOGD-HNNXBMFYSA-N 1 0 361.877 2.185 20 30 FEEDRO N#Cc1cc(S(=O)(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)ccc1Cl ZINC000592389404 672796242 /nfs/dbraw/zinc/79/62/42/672796242.db2.gz YPGGGDMUNDUKSG-CYBMUJFWSA-N 1 0 353.875 2.222 20 30 FEEDRO N#CCCC[C@H]([NH3+])C(=O)N1CC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000592963304 672859768 /nfs/dbraw/zinc/85/97/68/672859768.db2.gz LCFYRAQOQZJORV-OLZOCXBDSA-N 1 0 356.348 2.101 20 30 FEEDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CCC[C@@](C)(C#N)C2)[C@@H](C)C1 ZINC000612128155 676069902 /nfs/dbraw/zinc/06/99/02/676069902.db2.gz ZSEMMZPNAIKYMS-LNLFQRSKSA-N 1 0 350.507 2.459 20 30 FEEDRO C[NH+]=C(NCc1ccnc(C)n1)NC[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000261813273 672903674 /nfs/dbraw/zinc/90/36/74/672903674.db2.gz HTYFYRQVLMZNJK-OAHLLOKOSA-N 1 0 368.268 2.490 20 30 FEEDRO C[NH+]=C(NC[C@H](C)N1CCc2sccc2C1)NC[C@@]1(C)CCCO1 ZINC000261831853 672904219 /nfs/dbraw/zinc/90/42/19/672904219.db2.gz VOJIGCZLFYSXPC-KBXCAEBGSA-N 1 0 350.532 2.229 20 30 FEEDRO C[NH+]=C(NC[C@H](C)Sc1ccccc1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261953238 672906046 /nfs/dbraw/zinc/90/60/46/672906046.db2.gz HZSXYRIDXVTETH-AWEZNQCLSA-N 1 0 369.556 2.252 20 30 FEEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)COCC(F)(F)F)CC2)c1 ZINC000593353822 672912894 /nfs/dbraw/zinc/91/28/94/672912894.db2.gz GICIATVEMSYWNY-UHFFFAOYSA-N 1 0 355.360 2.218 20 30 FEEDRO CN(C)C(=O)C[NH+]=C(NCc1cccs1)N1CCSC(C)(C)C1 ZINC000262303819 672913221 /nfs/dbraw/zinc/91/32/21/672913221.db2.gz OEUXXOJSGRZJHM-UHFFFAOYSA-N 1 0 354.545 2.109 20 30 FEEDRO CC(C)[C@@H]1CCC[C@@H]([NH+]=C(NCC(=O)N(C)C)NC2CCOCC2)C1 ZINC000262332357 672913460 /nfs/dbraw/zinc/91/34/60/672913460.db2.gz VHXLVEKTVOWIGG-NVXWUHKLSA-N 1 0 352.523 2.004 20 30 FEEDRO C[C@@H](CNC(=[NH2+])N1CCO[C@H](C)C1)Oc1ccccc1Br ZINC000262502755 672916885 /nfs/dbraw/zinc/91/68/85/672916885.db2.gz YYPSVIOVZDFXJG-NWDGAFQWSA-N 1 0 356.264 2.252 20 30 FEEDRO CC(C)Oc1ccc(NC(=[NH2+])NC[C@@H]2CCCCN2S(C)(=O)=O)cc1 ZINC000262641064 672918607 /nfs/dbraw/zinc/91/86/07/672918607.db2.gz HWCUMYOQDGYCHE-HNNXBMFYSA-N 1 0 368.503 2.015 20 30 FEEDRO C=CC[C@H]1CC[C@@H]([NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000593598287 672954161 /nfs/dbraw/zinc/95/41/61/672954161.db2.gz NAECQDYAOQPORQ-UONOGXRCSA-N 1 0 353.444 2.208 20 30 FEEDRO C#CCCS(=O)(=O)NC[C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000289087003 672988283 /nfs/dbraw/zinc/98/82/83/672988283.db2.gz GKVKQXTWOJXTTD-CZUORRHYSA-N 1 0 358.866 2.415 20 30 FEEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)NCCC1(C[NH3+])CC1 ZINC000593770541 672989399 /nfs/dbraw/zinc/98/93/99/672989399.db2.gz KFJMBPWGHDNGGK-CYBMUJFWSA-N 1 0 360.483 2.122 20 30 FEEDRO Cc1cccc(NC(=[NH2+])NCCNS(=O)(=O)c2cccc(Cl)c2)c1 ZINC000303772226 673017311 /nfs/dbraw/zinc/01/73/11/673017311.db2.gz DJEWVZBEAVPCLF-UHFFFAOYSA-N 1 0 366.874 2.354 20 30 FEEDRO CC[N@@H+]1CCC[C@@H](NC(=O)CN(C)S(=O)(=O)c2ccc(C)c(C)c2)C1 ZINC000328860757 673068412 /nfs/dbraw/zinc/06/84/12/673068412.db2.gz ANFGXMMUKDWPKP-MRXNPFEDSA-N 1 0 367.515 2.365 20 30 FEEDRO N#CCCCC[C@@H]([NH3+])C(=O)NCCc1cc(Cl)c2c(c1)OCCO2 ZINC000594429580 673070660 /nfs/dbraw/zinc/07/06/60/673070660.db2.gz RPVPXDBZXLLGCJ-CQSZACIVSA-N 1 0 351.834 2.181 20 30 FEEDRO CCCS(=O)(=O)Nc1cccc(NC(=O)[C@@H]([NH3+])CCCCC#N)c1 ZINC000594447679 673073420 /nfs/dbraw/zinc/07/34/20/673073420.db2.gz VFAAZGAVIAQZMH-HNNXBMFYSA-N 1 0 352.460 2.188 20 30 FEEDRO CC[NH+]1CCN([C@@H]2CCN(C(=O)N[C@H](C)c3csc(C)n3)C2)CC1 ZINC000329386028 673076783 /nfs/dbraw/zinc/07/67/83/673076783.db2.gz PNBLGPCYMUHBLW-UKRRQHHQSA-N 1 0 351.520 2.138 20 30 FEEDRO C[C@@H]1C[C@@H](NC(=O)c2cccc(N3CCCS3(=O)=O)c2)CC[N@@H+]1C ZINC000329739701 673082742 /nfs/dbraw/zinc/08/27/42/673082742.db2.gz UZJDLIZOXFNHNN-HIFRSBDPSA-N 1 0 351.472 2.014 20 30 FEEDRO CC(C)(CNC(=O)N1CCOCC2(CCOCC2)C1)C[NH+]1CCCC1 ZINC000330067068 673085545 /nfs/dbraw/zinc/08/55/45/673085545.db2.gz UCNCZINDOCSXBM-UHFFFAOYSA-N 1 0 353.507 2.151 20 30 FEEDRO CCC1(CNC(=O)N2CC[N@@H+](C3CCOCC3)C[C@H]2C)CCOCC1 ZINC000330240933 673088147 /nfs/dbraw/zinc/08/81/47/673088147.db2.gz FLHCSYPAFOHQEP-MRXNPFEDSA-N 1 0 353.507 2.292 20 30 FEEDRO C[N@H+](CCCc1[nH]nc(N)c1C#N)Cc1cccc(F)c1OC(F)F ZINC000595397353 673242317 /nfs/dbraw/zinc/24/23/17/673242317.db2.gz UPVOKHBAQIHPNN-UHFFFAOYSA-N 1 0 353.348 2.669 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)[C@@H](CCSC)NC(=O)OC(C)(C)C)CC1 ZINC000729977184 673255500 /nfs/dbraw/zinc/25/55/00/673255500.db2.gz MRPWNHVVISXAMP-OAHLLOKOSA-N 1 0 371.547 2.399 20 30 FEEDRO C[C@H](CNC(=O)N1CCN(c2ccsc2C#N)CC1)C[NH+]1CCCC1 ZINC000595552767 673265459 /nfs/dbraw/zinc/26/54/59/673265459.db2.gz QEOVWERXOHBEGG-OAHLLOKOSA-N 1 0 361.515 2.183 20 30 FEEDRO C=CCCSCCNC(=O)N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000595725612 673286010 /nfs/dbraw/zinc/28/60/10/673286010.db2.gz ZZBKBEFGPLPAKD-UHFFFAOYSA-N 1 0 368.591 2.496 20 30 FEEDRO Cc1c(C[NH3+])c(NC(=O)CSc2nc(C)c(C)c(C)c2C#N)nn1C ZINC000595958616 673343847 /nfs/dbraw/zinc/34/38/47/673343847.db2.gz GEFTYUKCPRZMIT-UHFFFAOYSA-N 1 0 358.471 2.110 20 30 FEEDRO N#Cc1sccc1N1CCN(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000596102295 673359035 /nfs/dbraw/zinc/35/90/35/673359035.db2.gz HDASHJAYECLMTN-UHFFFAOYSA-N 1 0 361.515 2.327 20 30 FEEDRO N#Cc1sccc1N1CCN(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000596151315 673363424 /nfs/dbraw/zinc/36/34/24/673363424.db2.gz HHKWQYCRZNAXBG-HUUCEWRRSA-N 1 0 359.499 2.078 20 30 FEEDRO N#CCc1ccc(OC[C@H](O)C[N@@H+]2CCSC3(CCOCC3)C2)cc1 ZINC000613749184 676145172 /nfs/dbraw/zinc/14/51/72/676145172.db2.gz RMZBHHJAFRWUEY-QGZVFWFLSA-N 1 0 362.495 2.090 20 30 FEEDRO C[NH+](C)CCCOC1CCN(C(=O)c2cc(F)c(C#N)c(F)c2)CC1 ZINC000597343770 673469943 /nfs/dbraw/zinc/46/99/43/673469943.db2.gz DLCOKKHBMRULRP-UHFFFAOYSA-N 1 0 351.397 2.409 20 30 FEEDRO COCCNS(=O)(=O)c1ccc(C[NH2+]CC(C)(C)CCC#N)cc1 ZINC000539494915 673493090 /nfs/dbraw/zinc/49/30/90/673493090.db2.gz VDAYEOXFEGIYRU-UHFFFAOYSA-N 1 0 353.488 2.031 20 30 FEEDRO C[NH+](C)C[C@@H](CO)NC(=O)c1ccc(Sc2ccccc2C#N)cc1 ZINC000597653792 673496502 /nfs/dbraw/zinc/49/65/02/673496502.db2.gz MMUWSRXXUPARIF-INIZCTEOSA-N 1 0 355.463 2.362 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)O[C@@H](C)C(=O)Nc2cc(F)ccc2F)CC1 ZINC000735939606 673508346 /nfs/dbraw/zinc/50/83/46/673508346.db2.gz IHVLMYLAZINQQE-LBPRGKRZSA-N 1 0 350.365 2.180 20 30 FEEDRO CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000597862258 673513840 /nfs/dbraw/zinc/51/38/40/673513840.db2.gz YTIPLGCRKLJZQV-AUUYWEPGSA-N 1 0 351.491 2.485 20 30 FEEDRO C=CCCOCCCCC(=O)N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000540490027 673542646 /nfs/dbraw/zinc/54/26/46/673542646.db2.gz ROFRUJOCYXHYCD-LJQANCHMSA-N 1 0 351.535 2.376 20 30 FEEDRO C[N@H+](C[C@H](O)CC(C)(C)C#N)C[C@H](c1cccs1)N1CCOCC1 ZINC000598588412 673587194 /nfs/dbraw/zinc/58/71/94/673587194.db2.gz LKXAPGGHIALHLB-HZPDHXFCSA-N 1 0 351.516 2.354 20 30 FEEDRO Cc1cc(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)ccc1C#N ZINC000599103876 673633472 /nfs/dbraw/zinc/63/34/72/673633472.db2.gz UHYSSWARHNHEEM-OCCSQVGLSA-N 1 0 361.389 2.015 20 30 FEEDRO C=CCC[N@H+]1CCC[C@@H](C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000739912610 673638494 /nfs/dbraw/zinc/63/84/94/673638494.db2.gz OMSBRFRYDYTYKZ-MRXNPFEDSA-N 1 0 351.491 2.354 20 30 FEEDRO C#CCSCCNC(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000740478693 673647447 /nfs/dbraw/zinc/64/74/47/673647447.db2.gz JEZFYPHKQOLMDZ-UHFFFAOYSA-N 1 0 367.559 2.466 20 30 FEEDRO CCOC(=O)CC[C@H]1CCC[N@H+](C[C@H](O)CC2(C#N)CCOCC2)C1 ZINC000599339002 673661078 /nfs/dbraw/zinc/66/10/78/673661078.db2.gz DMMXMRHDKNTEJB-IAGOWNOFSA-N 1 0 352.475 2.113 20 30 FEEDRO C[C@H](c1ccsc1)N1CC[NH+](C[C@H](O)CC2(C#N)CCOCC2)CC1 ZINC000599360006 673663482 /nfs/dbraw/zinc/66/34/82/673663482.db2.gz IZQZPGDSPZRROU-SJLPKXTDSA-N 1 0 363.527 2.498 20 30 FEEDRO CC(C)(C)OC(=O)[C@@]1(C)CCC[N@@H+]1C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599501496 673685514 /nfs/dbraw/zinc/68/55/14/673685514.db2.gz YOQOJXDVKNFFRY-MAUKXSAKSA-N 1 0 352.475 2.254 20 30 FEEDRO CC[N@@H+]1CCC(N=Nc2ccc(S(=O)(=O)NC(C)(C)C)cn2)[C@@H](C)C1 ZINC000741459759 673687587 /nfs/dbraw/zinc/68/75/87/673687587.db2.gz GWYJTBZDWFVPLU-ZDUSSCGKSA-N 1 0 367.519 2.288 20 30 FEEDRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000599897738 673726937 /nfs/dbraw/zinc/72/69/37/673726937.db2.gz VODWMBGNRPQVKO-MELADBBJSA-N 1 0 360.483 2.276 20 30 FEEDRO N#Cc1ccccc1CSCC[NH2+]C[C@H](O)CC1(C#N)CCOCC1 ZINC000600714438 673793875 /nfs/dbraw/zinc/79/38/75/673793875.db2.gz MDLPXLPFTITFLF-GOSISDBHSA-N 1 0 359.495 2.452 20 30 FEEDRO C[C@@H]1C[C@H](C)CN(C(C)(C)C[NH2+]C[C@@H](O)CC2(C#N)CCOCC2)C1 ZINC000600717845 673794302 /nfs/dbraw/zinc/79/43/02/673794302.db2.gz COTHZLWHDZZHKG-KSZLIROESA-N 1 0 351.535 2.404 20 30 FEEDRO N#CC1(C[C@H](O)C[NH2+]C[C@H](O)COc2cccc(Cl)c2Cl)CC1 ZINC000600740739 673795868 /nfs/dbraw/zinc/79/58/68/673795868.db2.gz ALPKKKHWGXISQB-RYUDHWBXSA-N 1 0 359.253 2.377 20 30 FEEDRO N#CC1(C[C@@H](O)C[NH2+][C@H]2CCN(c3ccc(Cl)cc3F)C2=O)CC1 ZINC000600754820 673796622 /nfs/dbraw/zinc/79/66/22/673796622.db2.gz CHTAXMCQMDDUAH-OCCSQVGLSA-N 1 0 351.809 2.229 20 30 FEEDRO C[N@@H+]1CC[C@@H](Cn2nnnc2Sc2ncc(C#N)c3ccsc32)C1 ZINC000601130839 673827701 /nfs/dbraw/zinc/82/77/01/673827701.db2.gz PEJNPZFGNSKBPX-SNVBAGLBSA-N 1 0 357.468 2.257 20 30 FEEDRO C[NH+](C)[C@H](CNS(=O)(=O)c1ccccc1CC#N)Cc1ccccc1 ZINC000601288339 673838207 /nfs/dbraw/zinc/83/82/07/673838207.db2.gz UQTIQCUDXZJVLP-SFHVURJKSA-N 1 0 357.479 2.204 20 30 FEEDRO C=CCn1c(C)nn(CN2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c1=S ZINC000746653526 673888334 /nfs/dbraw/zinc/88/83/34/673888334.db2.gz XGKCLMYUSAWZMY-HRCADAONSA-N 1 0 351.520 2.050 20 30 FEEDRO CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)c3ccc(C#N)c(Cl)c3)C2)CC1 ZINC000547984395 673911835 /nfs/dbraw/zinc/91/18/35/673911835.db2.gz VKMSYFLLCCMQRO-QGZVFWFLSA-N 1 0 360.889 2.452 20 30 FEEDRO CO[C@H]1C[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)[C@@](C)(CO)C1 ZINC000602964735 673914604 /nfs/dbraw/zinc/91/46/04/673914604.db2.gz SXUOAMDDXYDTOK-RHSMWYFYSA-N 1 0 351.834 2.012 20 30 FEEDRO CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)C[N@H+](C)[C@H]2CCSC2)C1 ZINC000603151526 673918196 /nfs/dbraw/zinc/91/81/96/673918196.db2.gz ANFISKNOODMFRX-ROUUACIJSA-N 1 0 358.511 2.033 20 30 FEEDRO N#Cc1ccc(Br)c(Cn2cc([C@H]([NH3+])[C@H]3CCCO3)nn2)c1 ZINC000603242350 673919785 /nfs/dbraw/zinc/91/97/85/673919785.db2.gz SYJNPVOWWOTPLP-CABCVRRESA-N 1 0 362.231 2.139 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)S(=O)(=O)C[C@]1(C)CC1(F)F ZINC000603273291 673920657 /nfs/dbraw/zinc/92/06/57/673920657.db2.gz PARKTVWCIMPGNZ-INIZCTEOSA-N 1 0 371.453 2.297 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)[C@H](C)NC(=O)c2ccc(Cl)cc2)CC1 ZINC000747404200 673926513 /nfs/dbraw/zinc/92/65/13/673926513.db2.gz ICMQRJXEEVHXOM-AWEZNQCLSA-N 1 0 361.873 2.062 20 30 FEEDRO CC(C)(C)c1csc(NC(=O)C(=O)N2CCC(CC[NH3+])CC2)c1C#N ZINC000566366094 675208378 /nfs/dbraw/zinc/20/83/78/675208378.db2.gz JPWYLVIRAMFGSA-UHFFFAOYSA-N 1 0 362.499 2.443 20 30 FEEDRO N#Cc1cc(F)c(NCCC[N@H+]2CCC[C@@H]2C(N)=O)cc1Br ZINC000566477300 675217355 /nfs/dbraw/zinc/21/73/55/675217355.db2.gz AWTNOLWGGNZLIX-CQSZACIVSA-N 1 0 369.238 2.212 20 30 FEEDRO N#Cc1cc(F)c(NCCC[N@H+]2CCC[C@H]2C(N)=O)cc1Br ZINC000566477297 675217429 /nfs/dbraw/zinc/21/74/29/675217429.db2.gz AWTNOLWGGNZLIX-AWEZNQCLSA-N 1 0 369.238 2.212 20 30 FEEDRO N#Cc1ccc(NCC[NH2+]C[C@@H](O)COCc2ccccc2Cl)nc1 ZINC000818952346 675246014 /nfs/dbraw/zinc/24/60/14/675246014.db2.gz JJJBEEGZBDUHAC-MRXNPFEDSA-N 1 0 360.845 2.186 20 30 FEEDRO N#Cc1cccnc1NCC[NH2+]C[C@H](O)c1ccccc1Br ZINC000818974519 675248574 /nfs/dbraw/zinc/24/85/74/675248574.db2.gz BYPSPFKKOMYNHJ-HNNXBMFYSA-N 1 0 361.243 2.451 20 30 FEEDRO C#CCN1CCC[C@H]1C(=O)NCCc1cnc(SC2CCCC2)nc1 ZINC000819057435 675256463 /nfs/dbraw/zinc/25/64/63/675256463.db2.gz RPXJQBULYKLETO-KRWDZBQOSA-N 1 0 358.511 2.268 20 30 FEEDRO C#CCNC(=O)CC[NH2+][C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000819154103 675264841 /nfs/dbraw/zinc/26/48/41/675264841.db2.gz NVCZFVNERZJQOB-LBPRGKRZSA-N 1 0 374.794 2.062 20 30 FEEDRO CC[C@H](CS(=O)(=O)c1ccccc1)[NH2+]C[C@H](O)c1ccc(C#N)cc1 ZINC000819187699 675268044 /nfs/dbraw/zinc/26/80/44/675268044.db2.gz QFCGSWDQWXEUEE-MJGOQNOKSA-N 1 0 358.463 2.434 20 30 FEEDRO C[C@H](CNC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)[NH+]1CCCC1 ZINC000819245475 675273826 /nfs/dbraw/zinc/27/38/26/675273826.db2.gz WTOXJNDSBUQKJS-HUUCEWRRSA-N 1 0 352.479 2.174 20 30 FEEDRO CCOc1cc(Br)ccc1NC[C@@H](O)CN(C)CCC#N ZINC000819461598 675292198 /nfs/dbraw/zinc/29/21/98/675292198.db2.gz ZPTPKLYGAYUJIP-CYBMUJFWSA-N 1 0 356.264 2.466 20 30 FEEDRO Cc1cccc(O[C@H](C)C[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)c1 ZINC000567494304 675297588 /nfs/dbraw/zinc/29/75/88/675297588.db2.gz YJGRIZKPOQAYJK-OAHLLOKOSA-N 1 0 359.451 2.093 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)Cn2nc(C(F)F)cc2C2CC2)CC1 ZINC000820197387 675342718 /nfs/dbraw/zinc/34/27/18/675342718.db2.gz OOEZOCJLYQNFGG-UHFFFAOYSA-N 1 0 350.413 2.302 20 30 FEEDRO C#C[C@H](NC(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1)c1ccc(Cl)cc1 ZINC000820553986 675369675 /nfs/dbraw/zinc/36/96/75/675369675.db2.gz YJKMOOOBYKRDIU-ROUUACIJSA-N 1 0 361.873 2.255 20 30 FEEDRO C#C[C@H](NC(=O)N(CCOC)CC[NH+](C)C)c1ccc(Cl)cc1F ZINC000820737455 675383740 /nfs/dbraw/zinc/38/37/40/675383740.db2.gz DCBFXKIYSURORX-INIZCTEOSA-N 1 0 355.841 2.373 20 30 FEEDRO C#C[C@H](NC(=O)N1CC[N@@H+](C[C@H](C)O)C[C@@H]1C)c1ccc(Cl)cc1F ZINC000820749407 675384779 /nfs/dbraw/zinc/38/47/79/675384779.db2.gz AMCRRSUQDMIMBT-DCGLDWPTSA-N 1 0 367.852 2.250 20 30 FEEDRO CC[NH+]1CCC(NC(=O)COc2ccccc2C#N)(C(F)(F)F)CC1 ZINC000821654746 675445008 /nfs/dbraw/zinc/44/50/08/675445008.db2.gz TZKHCBZHUMFBLZ-UHFFFAOYSA-N 1 0 355.360 2.470 20 30 FEEDRO C#CCN(CC(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1)C(=O)OC(C)(C)C ZINC000823333225 675545440 /nfs/dbraw/zinc/54/54/40/675545440.db2.gz URPRGMCPYOLMIY-HOTGVXAUSA-N 1 0 351.491 2.093 20 30 FEEDRO C[NH+]1CCC(C#N)(NC(=O)c2ccc(C(F)(F)Br)nc2)CC1 ZINC000826692802 675700489 /nfs/dbraw/zinc/70/04/89/675700489.db2.gz JNSDYMQTYDAXNZ-UHFFFAOYSA-N 1 0 373.201 2.244 20 30 FEEDRO C[N@@H+]1CC[C@H]2CN(C(=O)Cc3ccc(Br)cc3C#N)CC[C@H]21 ZINC000827234086 675742088 /nfs/dbraw/zinc/74/20/88/675742088.db2.gz WNNRFLZDMPJGFA-XJKSGUPXSA-N 1 0 362.271 2.416 20 30 FEEDRO Cc1ncc(S(=O)(=O)N(C)CCCC[NH+]2CCCCC2)cc1C#N ZINC000603418044 675798803 /nfs/dbraw/zinc/79/88/03/675798803.db2.gz UDWOBOWOEWGYQM-UHFFFAOYSA-N 1 0 350.488 2.148 20 30 FEEDRO C=CCSc1ccccc1NC(=O)CN1CC[NH+](C(C)(C)CO)CC1 ZINC000605420672 675813428 /nfs/dbraw/zinc/81/34/28/675813428.db2.gz VMMYZBSWNBCOJP-UHFFFAOYSA-N 1 0 363.527 2.292 20 30 FEEDRO C#CCN(CC(=O)N(C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1)C(=O)OC(C)(C)C ZINC000828490355 675823452 /nfs/dbraw/zinc/82/34/52/675823452.db2.gz CSWCXPZBZZEAFV-HOTGVXAUSA-N 1 0 351.491 2.188 20 30 FEEDRO CN1CC[NH+](CCCCNC(=O)NCc2ccc(C#N)c(Cl)c2)CC1 ZINC000619755965 676393489 /nfs/dbraw/zinc/39/34/89/676393489.db2.gz GIIGXXHCUHBJIA-UHFFFAOYSA-N 1 0 363.893 2.038 20 30 FEEDRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)NCc1ccc(C#N)c(Cl)c1 ZINC000619760229 676393687 /nfs/dbraw/zinc/39/36/87/676393687.db2.gz DAUONNZBYGBFHB-CQSZACIVSA-N 1 0 363.893 2.037 20 30 FEEDRO COCC#CC[NH+]1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000677479520 679682349 /nfs/dbraw/zinc/68/23/49/679682349.db2.gz OHPRCUSCYIRZMW-UHFFFAOYSA-N 1 0 366.259 2.144 20 30 FEEDRO C=CCOc1c(Br)cc(C[NH2+][C@H]2C[C@H](C(N)=O)C2)cc1OC ZINC000623663750 676545647 /nfs/dbraw/zinc/54/56/47/676545647.db2.gz AMJSOUMJZMDVHO-HAQNSBGRSA-N 1 0 369.259 2.376 20 30 FEEDRO C=C[C@H](CO)NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1nccs1 ZINC000628148800 676792553 /nfs/dbraw/zinc/79/25/53/676792553.db2.gz AUGJARWKLFJHNN-BRWVUGGUSA-N 1 0 357.479 2.022 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)c2cc(Br)c3nccn3c2)CC1 ZINC000630942529 676926909 /nfs/dbraw/zinc/92/69/09/676926909.db2.gz KNUUGMULWGLHHB-UHFFFAOYSA-N 1 0 363.259 2.477 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2c(Br)cnn2C)CC1 ZINC000632986680 677024627 /nfs/dbraw/zinc/02/46/27/677024627.db2.gz GRGYEGUCUBYCQC-UHFFFAOYSA-N 1 0 370.295 2.022 20 30 FEEDRO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)C[C@H](O)CC1(O)CCOCC1 ZINC000639643660 677162951 /nfs/dbraw/zinc/16/29/51/677162951.db2.gz LYSPLAOWTGJUPJ-GOSISDBHSA-N 1 0 351.491 2.135 20 30 FEEDRO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCC(O)(Cc2nc(C)cs2)CC1 ZINC000639807448 677166785 /nfs/dbraw/zinc/16/67/85/677166785.db2.gz JCAXVKGDOURPDJ-MRXNPFEDSA-N 1 0 363.527 2.410 20 30 FEEDRO C[C@]12C[N@H+](CC#Cc3ccc(C(F)(F)F)cc3)C[C@@]1(C)C(=O)NC2=O ZINC000639950808 677169707 /nfs/dbraw/zinc/16/97/07/677169707.db2.gz DSDXKSFCMKXLCO-CALCHBBNSA-N 1 0 350.340 2.042 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)n1cc(C[C@H]2CC[NH2+]C2)nn1 ZINC000640930576 677191994 /nfs/dbraw/zinc/19/19/94/677191994.db2.gz UGKRGFIIMKBCPY-HUUCEWRRSA-N 1 0 359.499 2.267 20 30 FEEDRO C#C[C@H](NC(=O)NC[C@@H](c1ccc(SC)cc1)[NH+](C)C)[C@@H]1CCCO1 ZINC000838560221 680701653 /nfs/dbraw/zinc/70/16/53/680701653.db2.gz UVSWBPDYUNOBFJ-BZSNNMDCSA-N 1 0 361.511 2.491 20 30 FEEDRO C=CCc1cc(CNC(=O)N[C@@H](C[NH3+])C(F)(F)F)cc(OC)c1OC ZINC000655913224 677672256 /nfs/dbraw/zinc/67/22/56/677672256.db2.gz FFACBOJALUPEKO-ZDUSSCGKSA-N 1 0 361.364 2.121 20 30 FEEDRO CN(CC(C)(C)[NH3+])C(=O)C(=O)Nc1cccc(C#Cc2cccs2)c1 ZINC000659096460 678148222 /nfs/dbraw/zinc/14/82/22/678148222.db2.gz BBOOPMCAUUMJGI-UHFFFAOYSA-N 1 0 355.463 2.282 20 30 FEEDRO C[C@H](CCC#N)[N@@H+]1CCC[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C1 ZINC000839476213 680754988 /nfs/dbraw/zinc/75/49/88/680754988.db2.gz BKPCMXYZBGVGDP-CABCVRRESA-N 1 0 352.479 2.032 20 30 FEEDRO C[C@@H](CCC#N)[N@@H+]1CCC[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C1 ZINC000839476214 680755020 /nfs/dbraw/zinc/75/50/20/680755020.db2.gz BKPCMXYZBGVGDP-GJZGRUSLSA-N 1 0 352.479 2.032 20 30 FEEDRO C=CC[C@H](CO)[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000762779896 680761369 /nfs/dbraw/zinc/76/13/69/680761369.db2.gz LUHXTPNPHXBIMF-TWMKSMIVSA-N 1 0 354.491 2.318 20 30 FEEDRO C=CCC1([NH2+]CC(=O)N(C2CCCC2)[C@H]2CCS(=O)(=O)C2)CCCC1 ZINC000661851181 678542191 /nfs/dbraw/zinc/54/21/91/678542191.db2.gz NGUYNHOCCODLBT-KRWDZBQOSA-N 1 0 368.543 2.423 20 30 FEEDRO C=CC[C@@]1(C(=O)NCCCc2nnc(SC)n2CC(C)C)CCC[NH2+]1 ZINC000662504437 678630815 /nfs/dbraw/zinc/63/08/15/678630815.db2.gz GSUJTVGAHLLUSS-SFHVURJKSA-N 1 0 365.547 2.403 20 30 FEEDRO C=C(C[NH+](C)C)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(CC)CC)c1 ZINC000763953597 680796366 /nfs/dbraw/zinc/79/63/66/680796366.db2.gz JCLWCXTXLJNCQU-UHFFFAOYSA-N 1 0 373.906 2.427 20 30 FEEDRO C=CC[NH+]1CCC(Nc2ccc(C(=O)CC)cc2S(=O)(=O)NC)CC1 ZINC000663569638 678759110 /nfs/dbraw/zinc/75/91/10/678759110.db2.gz LODLKXWUQWGICX-UHFFFAOYSA-N 1 0 365.499 2.250 20 30 FEEDRO C=C(C[NH+](C)C)C(=O)NCCc1ccc(I)s1 ZINC000764471238 680810834 /nfs/dbraw/zinc/81/08/34/680810834.db2.gz KTZSOVXANXFCNH-UHFFFAOYSA-N 1 0 364.252 2.129 20 30 FEEDRO C=CCn1c(-c2cnccn2)nn(CN2CCC[C@@H]([NH+](C)C)C2)c1=S ZINC000765012186 680827154 /nfs/dbraw/zinc/82/71/54/680827154.db2.gz KDEIPYFLIVEAOG-CQSZACIVSA-N 1 0 359.503 2.041 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)[C@H](CC(F)F)NC(=O)OC(C)(C)C)CC1 ZINC000765784260 680855245 /nfs/dbraw/zinc/85/52/45/680855245.db2.gz SIYVNALCNAUGHT-ZDUSSCGKSA-N 1 0 361.433 2.302 20 30 FEEDRO CC(C)N(C)C(=O)c1ccc(Cl)c(NC(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)c1 ZINC000841109801 680863924 /nfs/dbraw/zinc/86/39/24/680863924.db2.gz OYYQKQAFAFGSMC-SWLSCSKDSA-N 1 0 363.849 2.053 20 30 FEEDRO CC(C)(CO)[NH+]1CCN(CC#Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000676702245 679640206 /nfs/dbraw/zinc/64/02/06/679640206.db2.gz STRKVYDWLJHZJV-UHFFFAOYSA-N 1 0 356.388 2.325 20 30 FEEDRO C#CCN1CCN(C(=O)C[NH2+][C@H](c2ccc(F)c(Cl)c2)C2CC2)CC1 ZINC000830976577 679904805 /nfs/dbraw/zinc/90/48/05/679904805.db2.gz JCLRHBSDGFEZBA-IBGZPJMESA-N 1 0 363.864 2.297 20 30 FEEDRO CCN(CC)c1ccc(/C=[NH+]/CC2CCN(S(C)(=O)=O)CC2)c(O)c1 ZINC000748584885 679977545 /nfs/dbraw/zinc/97/75/45/679977545.db2.gz VQDPAGSTJYCKAQ-XMHGGMMESA-N 1 0 367.515 2.329 20 30 FEEDRO N#Cc1ccc(C[NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)s1 ZINC000749110916 680021114 /nfs/dbraw/zinc/02/11/14/680021114.db2.gz UALPTTUTOCMKRY-UHFFFAOYSA-N 1 0 361.492 2.144 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N[C@]12CCC[C@H]1[N@H+](CCc1ccns1)CC2 ZINC000992242438 680098111 /nfs/dbraw/zinc/09/81/11/680098111.db2.gz RNKDLLUSTGWVLL-NTDBWNAOSA-N 1 0 361.511 2.390 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cc(OC)ns2)C1 ZINC001020716881 680113693 /nfs/dbraw/zinc/11/36/93/680113693.db2.gz XRNDGPOQLJUUHW-HPZZRFSDSA-N 1 0 365.499 2.260 20 30 FEEDRO C=C(Cl)C(C)(C)C(=O)N1C[C@H]2CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@@]2(C)C1 ZINC000992955970 680138565 /nfs/dbraw/zinc/13/85/65/680138565.db2.gz GDZGJJCHGQGLIB-CLCXKQKWSA-N 1 0 369.937 2.412 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[N@H+](CCOC2CCC2)CC1(C)C ZINC000977326074 680160457 /nfs/dbraw/zinc/16/04/57/680160457.db2.gz KVLVQKJICLKZCA-BZSNNMDCSA-N 1 0 350.503 2.363 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3scnc3C)C[C@H]21 ZINC000978165360 680170105 /nfs/dbraw/zinc/17/01/05/680170105.db2.gz HMBDZJKCMCWIOK-MTSZKFMLSA-N 1 0 361.511 2.227 20 30 FEEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)c1ccn(-c2ccc(Cl)cc2Cl)n1 ZINC000834483944 680233289 /nfs/dbraw/zinc/23/32/89/680233289.db2.gz BNEIJSDNBGJFKK-RNCFNFMXSA-N 1 0 350.209 2.020 20 30 FEEDRO Cc1cc(C(=O)N[C@H]2C[NH2+]C[C@H]2C#N)nn1-c1ccc(Cl)cc1Cl ZINC000834484448 680233461 /nfs/dbraw/zinc/23/34/61/680233461.db2.gz IYJPVDYVDATPCA-YGRLFVJLSA-N 1 0 364.236 2.329 20 30 FEEDRO Cn1c(C(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)ccc1-c1ccccc1Br ZINC000834495405 680234987 /nfs/dbraw/zinc/23/49/87/680234987.db2.gz VKYSBNLLOPDNBD-FZMZJTMJSA-N 1 0 373.254 2.296 20 30 FEEDRO Cc1cc(C(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)c2cc(Br)ccc2n1 ZINC000834494866 680235047 /nfs/dbraw/zinc/23/50/47/680235047.db2.gz QHCVSICGMWDHCX-BONVTDFDSA-N 1 0 359.227 2.147 20 30 FEEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1 ZINC000834507163 680236296 /nfs/dbraw/zinc/23/62/96/680236296.db2.gz YMYOXCSNJDUSFU-QWHCGFSZSA-N 1 0 355.419 2.028 20 30 FEEDRO CC(C)c1c(C(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)cnn1-c1ccc(Cl)cc1 ZINC000834517390 680237145 /nfs/dbraw/zinc/23/71/45/680237145.db2.gz UXBXNOYMXSYBEQ-LRDDRELGSA-N 1 0 357.845 2.490 20 30 FEEDRO C=CC[C@H](CO)[NH2+]Cc1nc2c(s1)CN(C(=O)OC(C)(C)C)CC2 ZINC000835047442 680291021 /nfs/dbraw/zinc/29/10/21/680291021.db2.gz HMENAQLWRDUVRY-GFCCVEGCSA-N 1 0 353.488 2.463 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCc2ccns2)C(C)(C)C1 ZINC000995835958 680306218 /nfs/dbraw/zinc/30/62/18/680306218.db2.gz YMJKZAXEDQQNAV-IXDOHACOSA-N 1 0 363.527 2.493 20 30 FEEDRO C#CCSCC[NH2+][C@@H](C)[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000753969120 680327592 /nfs/dbraw/zinc/32/75/92/680327592.db2.gz QSMKKOYEFITHNX-WMZOPIPTSA-N 1 0 362.495 2.369 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([NH2+]Cc2ncc(Cl)n2C)CC1 ZINC000996601399 680336368 /nfs/dbraw/zinc/33/63/68/680336368.db2.gz QWICVJMCDZAABX-CABCVRRESA-N 1 0 366.893 2.135 20 30 FEEDRO C=C(Cl)C(C)(C)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C2 ZINC000997008304 680345480 /nfs/dbraw/zinc/34/54/80/680345480.db2.gz RQECEWHYVUUWER-XJBGLIRHSA-N 1 0 367.921 2.353 20 30 FEEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+][C@H](CCO)c2cccs2)c1 ZINC000754386748 680353600 /nfs/dbraw/zinc/35/36/00/680353600.db2.gz LHPDLLBVUGOSJA-OAHLLOKOSA-N 1 0 350.465 2.107 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](Cc2cc(OC)ns2)C1 ZINC001028549744 680374426 /nfs/dbraw/zinc/37/44/26/680374426.db2.gz WYAKBEQCEAHQTG-BMFZPTHFSA-N 1 0 365.499 2.071 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H](C[N@@H+](C)Cc2snnc2C)C1 ZINC001029741531 680391078 /nfs/dbraw/zinc/39/10/78/680391078.db2.gz VXJDPUJLRAIBKA-OAGGEKHMSA-N 1 0 364.515 2.108 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CC2CC(OCC)C2)C1 ZINC000984918272 680396768 /nfs/dbraw/zinc/39/67/68/680396768.db2.gz XUSXUKVMCSVHDZ-XTLBRDQMSA-N 1 0 350.503 2.267 20 30 FEEDRO CCCCCCCCNC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000755076919 680397650 /nfs/dbraw/zinc/39/76/50/680397650.db2.gz CWRNBHKKCMMACT-QGZVFWFLSA-N 1 0 352.523 2.295 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2snnc2C)CC1 ZINC001034648235 680437132 /nfs/dbraw/zinc/43/71/32/680437132.db2.gz BFLXKEYMSGMBCN-FPCVCCKLSA-N 1 0 364.515 2.345 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cnns2)CC1 ZINC001034648837 680437181 /nfs/dbraw/zinc/43/71/81/680437181.db2.gz PVRDGQXADBFPTJ-XOUADPBQSA-N 1 0 350.488 2.036 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)NCCOc1cccc(Br)c1 ZINC000836229288 680438289 /nfs/dbraw/zinc/43/82/89/680438289.db2.gz AEJWGNGOENNBLI-UHFFFAOYSA-N 1 0 368.275 2.082 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]C[C@H]2CCCOC2)CC1 ZINC001034754781 680440166 /nfs/dbraw/zinc/44/01/66/680440166.db2.gz RLQJZXYFWUHAFS-QQXKLLMISA-N 1 0 350.503 2.411 20 30 FEEDRO C#CC[NH+]1CC2(C1)CCN(C(=O)CC[C@@H]1CC[C@H](C(F)(F)F)O1)CC2 ZINC001035729267 680451677 /nfs/dbraw/zinc/45/16/77/680451677.db2.gz YKEMKRQZAVPMPX-LSDHHAIUSA-N 1 0 358.404 2.434 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1CCCC1CCOCC1 ZINC001038265618 680453864 /nfs/dbraw/zinc/45/38/64/680453864.db2.gz FVXOFPKVHYOYQY-QRVBRYPASA-N 1 0 350.503 2.365 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)NCCOc1ncc(Cl)cc1Cl ZINC000836364907 680458101 /nfs/dbraw/zinc/45/81/01/680458101.db2.gz YCQHRLPUSILKCB-UHFFFAOYSA-N 1 0 359.257 2.022 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC([N@H+](C)CC2CCOCC2)CC1 ZINC000985694026 680471120 /nfs/dbraw/zinc/47/11/20/680471120.db2.gz FTROMJVPKWGUTA-OALUTQOASA-N 1 0 350.503 2.317 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@]2(C1)CCC[N@H+](CCCO)C2 ZINC001040442573 680472352 /nfs/dbraw/zinc/47/23/52/680472352.db2.gz DCVCVLNQFLUXFB-CMKODMSKSA-N 1 0 350.503 2.055 20 30 FEEDRO C#CC[N@H+]1CCC[C@@H]1COC(=O)[C@H]1CCCCN1C(=O)c1cccs1 ZINC000756541005 680483989 /nfs/dbraw/zinc/48/39/89/680483989.db2.gz FCQOKBGFPDAQRI-HZPDHXFCSA-N 1 0 360.479 2.384 20 30 FEEDRO C#CC[N@H+]1CCC[C@H]1COC(=O)CC1(NC(=O)OC(C)(C)C)CCC1 ZINC000756556895 680485105 /nfs/dbraw/zinc/48/51/05/680485105.db2.gz XOSOAFLDYNZGDQ-HNNXBMFYSA-N 1 0 350.459 2.465 20 30 FEEDRO C=C(Cl)C(C)(C)C(=O)N1C[C@@H]2CN(C(=O)[C@H](CC)[NH+](C)C)CC[C@@H]2C1 ZINC000986157422 680497233 /nfs/dbraw/zinc/49/72/33/680497233.db2.gz HGHDKGGZCAOHEC-PMPSAXMXSA-N 1 0 369.937 2.412 20 30 FEEDRO C#CCNC(=O)CC[NH2+]Cc1ccc(Br)c(Br)c1 ZINC000757682397 680531646 /nfs/dbraw/zinc/53/16/46/680531646.db2.gz IRHCKDQBTXBPNC-UHFFFAOYSA-N 1 0 374.076 2.441 20 30 FEEDRO C[C@@H]1CN(c2nc(Cl)c(C#N)s2)C[C@H]1NC(=O)C[N@@H+]1CCC[C@H]1C ZINC001042511156 680533186 /nfs/dbraw/zinc/53/31/86/680533186.db2.gz VRPRRTJDAXOJOG-IJLUTSLNSA-N 1 0 367.906 2.093 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC([C@H]2CCC[N@@H+]2CCCO)CC1 ZINC001004577906 680560620 /nfs/dbraw/zinc/56/06/20/680560620.db2.gz UTHKUPWJNRERCY-OTWHNJEPSA-N 1 0 350.503 2.053 20 30 FEEDRO C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1Nc1snc(Cl)c1C#N ZINC001043227828 680567546 /nfs/dbraw/zinc/56/75/46/680567546.db2.gz QCRBTBAMTOZXKM-ZWNOBZJWSA-N 1 0 367.906 2.269 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CC[NH+](C[C@H]2CC(C)(C)CO2)CC1 ZINC001006023325 680590780 /nfs/dbraw/zinc/59/07/80/680590780.db2.gz VHPYWISXCGGAEW-KURKYZTESA-N 1 0 350.503 2.315 20 30 FEEDRO C=C(Cl)C(C)(C)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+]1CCC[C@@H]1C)C2 ZINC001006289894 680601542 /nfs/dbraw/zinc/60/15/42/680601542.db2.gz XPHWSLMURUTJSN-XZDPQHSOSA-N 1 0 367.921 2.498 20 30 FEEDRO C=C(Cl)C(C)(C)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+]1CC[C@H](C)C1)C2 ZINC001006290890 680601904 /nfs/dbraw/zinc/60/19/04/680601904.db2.gz YIOYASBOCLZRMG-XZDPQHSOSA-N 1 0 367.921 2.355 20 30 FEEDRO C=C(C)C[NH+]1CCC2(CO[C@@H](CNC(=O)[C@H]3OCC[C@H]3CC)C2)CC1 ZINC001045673536 680637746 /nfs/dbraw/zinc/63/77/46/680637746.db2.gz UJFVNESMIYJIJV-KURKYZTESA-N 1 0 350.503 2.365 20 30 FEEDRO C=C(Cl)CN1CCC[C@@H](NC(=O)[C@@H]2CCCO[C@H]2c2cnn(C)c2)C1 ZINC001007519231 680645881 /nfs/dbraw/zinc/64/58/81/680645881.db2.gz MGMMEGLCIKOQLA-ZACQAIPSSA-N 1 0 366.893 2.221 20 30 FEEDRO CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@@H](Nc3snc(C)c3C#N)C2)CC[N@@H+]1C ZINC001046621686 680650990 /nfs/dbraw/zinc/65/09/90/680650990.db2.gz RSIKKDNYEVJEPR-KNCOVGOOSA-N 1 0 361.515 2.360 20 30 FEEDRO C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CC[C@@H](Nc3snc(Cl)c3C#N)C2)C1 ZINC001047310367 680660147 /nfs/dbraw/zinc/66/01/47/680660147.db2.gz QWBBYJVWMTZEIH-QJPTWQEYSA-N 1 0 367.906 2.317 20 30 FEEDRO C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CC[C@@H](Nc3nc(Cl)c(C#N)s3)C2)C1 ZINC001047310131 680660168 /nfs/dbraw/zinc/66/01/68/680660168.db2.gz NKTAPAJAUHKDMS-QJPTWQEYSA-N 1 0 367.906 2.317 20 30 FEEDRO CC(C)Oc1cc(Br)cc(NC(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)c1 ZINC000841136465 680865283 /nfs/dbraw/zinc/86/52/83/680865283.db2.gz TWWWWUCPRBGPIT-HZMBPMFUSA-N 1 0 367.247 2.469 20 30 FEEDRO C#CC[C@@H]1NC(=O)N(CC2CC[NH+](Cc3ccccc3Cl)CC2)C1=O ZINC000842239066 680934200 /nfs/dbraw/zinc/93/42/00/680934200.db2.gz CBVKCQDDMYBPMR-KRWDZBQOSA-N 1 0 359.857 2.496 20 30 FEEDRO C#CCOc1ccccc1C[NH2+]C[C@H]1CS(=O)(=O)c2ccccc2O1 ZINC000842721410 680962074 /nfs/dbraw/zinc/96/20/74/680962074.db2.gz GSGDDSFXWYTFIR-INIZCTEOSA-N 1 0 357.431 2.023 20 30 FEEDRO CC(C)(C)[N@H+](CCC(=O)Nc1cccc(C#N)c1)CCS(C)(=O)=O ZINC000770215322 681009489 /nfs/dbraw/zinc/00/94/89/681009489.db2.gz CXMKIVFTAJCLBQ-UHFFFAOYSA-N 1 0 351.472 2.032 20 30 FEEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)c1ccc(Br)c(C(F)(F)F)c1 ZINC000844194506 681043817 /nfs/dbraw/zinc/04/38/17/681043817.db2.gz JGEUFSGFYUFNMH-KCJUWKMLSA-N 1 0 362.149 2.309 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[C@H](C[NH2+]Cc2cnns2)CC1 ZINC001050375831 681046944 /nfs/dbraw/zinc/04/69/44/681046944.db2.gz QANUSRFQOMXDDM-OTRWWLKZSA-N 1 0 364.515 2.284 20 30 FEEDRO Cc1nsc(N2CC[C@H](NC(=O)C(C)(C)[NH+]3CCCC3)[C@H]2C)c1C#N ZINC001050864181 681057072 /nfs/dbraw/zinc/05/70/72/681057072.db2.gz ORGBCJOBJMARBG-HIFRSBDPSA-N 1 0 361.515 2.281 20 30 FEEDRO C[C@@H]1[C@H](C(=O)N[C@H]2CCN(c3nc(C#N)c(Cl)s3)[C@@H]2C)CC[N@@H+]1C ZINC001051146115 681064163 /nfs/dbraw/zinc/06/41/63/681064163.db2.gz UHVMNUDUTGTOLX-KKOKHZNYSA-N 1 0 367.906 2.092 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCO[C@@H](C[NH2+]CC2CC(C)(C)C2)C1 ZINC001051620602 681067930 /nfs/dbraw/zinc/06/79/30/681067930.db2.gz TWGFCOIROWIALW-KSZLIROESA-N 1 0 350.503 2.221 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@@H](C[NH2+]Cc2ccc(Cl)s2)C1 ZINC001051834574 681069646 /nfs/dbraw/zinc/06/96/46/681069646.db2.gz QVTIPUGDOLSMKC-CFVMTHIKSA-N 1 0 370.902 2.310 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1CCC2(C[NH+](CC(C)C)C2)O1 ZINC001053675133 681103567 /nfs/dbraw/zinc/10/35/67/681103567.db2.gz GSYMCELXUWBWPU-BZSNNMDCSA-N 1 0 350.503 2.363 20 30 FEEDRO C#CCNC(=S)NCCc1ccc(OCC[NH+]2C[C@H](C)[C@@H](C)C2)cc1 ZINC000774562910 681204452 /nfs/dbraw/zinc/20/44/52/681204452.db2.gz BFMGUYCMGNUTMI-IRXDYDNUSA-N 1 0 359.539 2.293 20 30 FEEDRO C#CCN1CCN(C(=O)C[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2)CC1 ZINC000774801823 681236295 /nfs/dbraw/zinc/23/62/95/681236295.db2.gz IDNJQEGEKBFHDU-AWEZNQCLSA-N 1 0 353.388 2.133 20 30 FEEDRO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3cncn3C)CC[C@@H]2C1 ZINC000946786401 681261399 /nfs/dbraw/zinc/26/13/99/681261399.db2.gz KGIYSANMGBPPAZ-YYIAUSFCSA-N 1 0 362.905 2.447 20 30 FEEDRO C#C[C@H]([NH2+]Cc1cc(Br)c2c(c1)OCCO2)[C@H]1CCCO1 ZINC000775341939 681299270 /nfs/dbraw/zinc/29/92/70/681299270.db2.gz OPHKAHADWQSTLI-UONOGXRCSA-N 1 0 352.228 2.491 20 30 FEEDRO CC(C)(C)OC(=O)N1CC(OC2CC[NH+](CCOCCC#N)CC2)C1 ZINC000932796926 681312476 /nfs/dbraw/zinc/31/24/76/681312476.db2.gz FTMWIZDYRWZCPS-UHFFFAOYSA-N 1 0 353.463 2.017 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)N1CCC[C@H](c2ncc(C(=O)OC)s2)C1 ZINC000912762518 685432641 /nfs/dbraw/zinc/43/26/41/685432641.db2.gz DXQGLKQFPPLTEY-ZDUSSCGKSA-N 1 0 351.472 2.144 20 30 FEEDRO COc1ccc(NC(=S)NN=Cc2c[nH+]ccc2N(C)C)cc1OC ZINC000776179136 681370402 /nfs/dbraw/zinc/37/04/02/681370402.db2.gz MRJZYCQPIWRGTA-UHFFFAOYSA-N 1 0 359.455 2.485 20 30 FEEDRO C#CCC1([NH2+]Cc2c(C)nn(CCS(C)(=O)=O)c2C)CCCCC1 ZINC000933265271 681382388 /nfs/dbraw/zinc/38/23/88/681382388.db2.gz VZDVTYBTZFVTTK-UHFFFAOYSA-N 1 0 351.516 2.360 20 30 FEEDRO C[N@@H+]1CC[C@H](CCOC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)C1 ZINC000847826426 681437936 /nfs/dbraw/zinc/43/79/36/681437936.db2.gz GYADJPALOKGYBV-OAHLLOKOSA-N 1 0 364.467 2.263 20 30 FEEDRO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000933738572 681460543 /nfs/dbraw/zinc/46/05/43/681460543.db2.gz ZCNUDCCVNXIMKD-WTOJCKNJSA-N 1 0 358.511 2.319 20 30 FEEDRO C=C(C)[C@@H](CO)[N@@H+]1C[C@H](C)OC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000933860871 681475257 /nfs/dbraw/zinc/47/52/57/681475257.db2.gz MXLAWLOSWKPSKM-JKSUJKDBSA-N 1 0 354.491 2.414 20 30 FEEDRO C[NH+](C)CC(C)(C)NC(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000848212529 681495651 /nfs/dbraw/zinc/49/56/51/681495651.db2.gz DBJIYGAZMKADQE-UHFFFAOYSA-N 1 0 351.491 2.093 20 30 FEEDRO C#CCOc1cccc(Cl)c1C[NH2+]C1CCN(C(=O)CCOC)CC1 ZINC000778173410 681582730 /nfs/dbraw/zinc/58/27/30/681582730.db2.gz JEYIZEHFRVROEC-UHFFFAOYSA-N 1 0 364.873 2.469 20 30 FEEDRO CCOC(=O)Nc1ccc(NC(=O)N[C@@H](C[NH3+])C(F)(F)F)cc1C#N ZINC000848597208 681587471 /nfs/dbraw/zinc/58/74/71/681587471.db2.gz HTXKNNCNMKAMHK-NSHDSACASA-N 1 0 359.308 2.138 20 30 FEEDRO C=C(Cl)C(C)(C)C(=O)N1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC000949362097 681635016 /nfs/dbraw/zinc/63/50/16/681635016.db2.gz XFVHVJSJSUKIDJ-DAXOMENPSA-N 1 0 367.921 2.070 20 30 FEEDRO C[C@@H]1[C@H]([NH3+])CCCN1C(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C ZINC000848941866 681646252 /nfs/dbraw/zinc/64/62/52/681646252.db2.gz MEZWWXCCDXZNJL-RBSFLKMASA-N 1 0 352.479 2.302 20 30 FEEDRO CC(C)(C)OC(=O)N1CCN2C(NC[C@@H]3CC3(Cl)Cl)=[NH+]C[C@@H]2C1 ZINC000849087267 681651338 /nfs/dbraw/zinc/65/13/38/681651338.db2.gz STEKMSUSQZCDOD-WDEREUQCSA-N 1 0 363.289 2.061 20 30 FEEDRO C[NH+]=C(NCCN1CCOCC1)NC1CC(F)(c2cccc(Cl)c2)C1 ZINC000849096003 681652337 /nfs/dbraw/zinc/65/23/37/681652337.db2.gz WLVYDMWSURPLJG-UHFFFAOYSA-N 1 0 368.884 2.164 20 30 FEEDRO CC[C@@H](CNS(C)(=O)=O)[NH+]=C(Nc1ccccc1)N1CCCCC1 ZINC000849114446 681657115 /nfs/dbraw/zinc/65/71/15/681657115.db2.gz JFFSEWOXYFNIRO-HNNXBMFYSA-N 1 0 352.504 2.268 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N(CC)C1C[NH+](CCC[C@H]2CCOC2)C1 ZINC000950352989 681684143 /nfs/dbraw/zinc/68/41/43/681684143.db2.gz AIUZKDWMRZNKHQ-UHOSZYNNSA-N 1 0 350.503 2.317 20 30 FEEDRO C=CC1(CC(=O)N2CC[N@@H+](C)[C@H](C)[C@H]2C)CN(C(=O)OC(C)(C)C)C1 ZINC000935211449 681711201 /nfs/dbraw/zinc/71/12/01/681711201.db2.gz CLOZLRVMGVTSHM-HUUCEWRRSA-N 1 0 351.491 2.351 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[NH+](CCC2CCOCC2)CC1 ZINC000951594918 681748988 /nfs/dbraw/zinc/74/89/88/681748988.db2.gz OTZASMSWZMKEHX-OALUTQOASA-N 1 0 350.503 2.319 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)NCC(=O)c1ccc(Br)c(F)c1 ZINC000913360260 685475930 /nfs/dbraw/zinc/47/59/30/685475930.db2.gz APEGZFNIHKMUJO-UHFFFAOYSA-N 1 0 357.223 2.395 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(CC)C1C[NH+](C[C@H]2CCCOC2)C1 ZINC000952429272 681784395 /nfs/dbraw/zinc/78/43/95/681784395.db2.gz KLUOPBXVNDMVGQ-NEWSRXKRSA-N 1 0 350.503 2.317 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)N[C@](C)(Cc1ccc(Cl)cc1)C(=O)OC ZINC000913721830 685483472 /nfs/dbraw/zinc/48/34/72/685483472.db2.gz CZPVXHGFAZVGAJ-GOSISDBHSA-N 1 0 352.862 2.438 20 30 FEEDRO C=CC1(CC(=O)N2CC[N@@H+](C)C(C)(C)C2)CN(C(=O)OC(C)(C)C)C1 ZINC000935805774 681826382 /nfs/dbraw/zinc/82/63/82/681826382.db2.gz UIUOFPMNMLPUTC-UHFFFAOYSA-N 1 0 351.491 2.352 20 30 FEEDRO C[C@@H]1CN(S(=O)(=O)Cc2csc(C#N)c2)CC[N@@H+](C2CCC2)C1 ZINC000915841923 685518823 /nfs/dbraw/zinc/51/88/23/685518823.db2.gz AODYAJJRBOKSCB-ZDUSSCGKSA-N 1 0 353.513 2.256 20 30 FEEDRO Cc1ccc(S(=O)(=O)NN=Cc2ccc(OCC[NH+](C)C)cc2)cc1 ZINC000915936654 685519724 /nfs/dbraw/zinc/51/97/24/685519724.db2.gz YTDLQUNPBBMRGS-UHFFFAOYSA-N 1 0 361.467 2.248 20 30 FEEDRO C[NH+](C)[C@H](CNC(=O)NCCNc1ccc(C#N)cn1)c1ccsc1 ZINC000916451110 685524626 /nfs/dbraw/zinc/52/46/26/685524626.db2.gz BYIUVCHHUHSASZ-OAHLLOKOSA-N 1 0 358.471 2.029 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H]2CCCN2CC(F)(F)F)CC1 ZINC000917098572 685529675 /nfs/dbraw/zinc/52/96/75/685529675.db2.gz ZLWFUSFQJSWRQZ-HNNXBMFYSA-N 1 0 362.440 2.353 20 30 FEEDRO COC(=O)C1(C#N)CC[NH+](CC[C@@H]2Sc3ccccc3NC2=O)CC1 ZINC000852136463 682225806 /nfs/dbraw/zinc/22/58/06/682225806.db2.gz MGJADJCVBWZSTE-HNNXBMFYSA-N 1 0 359.451 2.268 20 30 FEEDRO CC[NH+](CC)[C@@H](CNc1cccc(S(N)(=O)=O)c1C#N)CC(C)C ZINC000784557877 682237484 /nfs/dbraw/zinc/23/74/84/682237484.db2.gz PKSYJXQMWWDUOV-CQSZACIVSA-N 1 0 352.504 2.374 20 30 FEEDRO C[NH+](C)[C@@H](CNc1cccc(S(N)(=O)=O)c1C#N)c1ccc(F)cc1 ZINC000784573237 682238178 /nfs/dbraw/zinc/23/81/78/682238178.db2.gz XBQKDBKAVCJUQM-INIZCTEOSA-N 1 0 362.430 2.060 20 30 FEEDRO N#Cc1cc(CS(=O)(=O)NC[C@@H]2CCC[N@H+](CC3CC3)C2)cs1 ZINC000917779062 685534667 /nfs/dbraw/zinc/53/46/67/685534667.db2.gz XACVREXBTZAADU-AWEZNQCLSA-N 1 0 353.513 2.161 20 30 FEEDRO C[N@H+]1C[C@]2(C)CN(S(=O)(=O)c3ccc(Cl)c(C#N)c3)C[C@]2(C)C1 ZINC000918350314 685538553 /nfs/dbraw/zinc/53/85/53/685538553.db2.gz APPVUYHVPSSSEK-IYBDPMFKSA-N 1 0 353.875 2.174 20 30 FEEDRO C[NH+]1C[C@]2(C)CN(S(=O)(=O)c3ccc(Cl)c(C#N)c3)C[C@@]2(C)C1 ZINC000918350312 685538600 /nfs/dbraw/zinc/53/86/00/685538600.db2.gz APPVUYHVPSSSEK-HZPDHXFCSA-N 1 0 353.875 2.174 20 30 FEEDRO COC(=O)c1sc2ccccc2c1CNC(=O)C#CC1CC[NH2+]CC1 ZINC000852834069 682348622 /nfs/dbraw/zinc/34/86/22/682348622.db2.gz ITFLXVGRVYYRCX-UHFFFAOYSA-N 1 0 356.447 2.307 20 30 FEEDRO O=C(C#CC1CC[NH2+]CC1)N1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000852856257 682350632 /nfs/dbraw/zinc/35/06/32/682350632.db2.gz XBOGBWQMYNFZFZ-UHFFFAOYSA-N 1 0 363.864 2.126 20 30 FEEDRO C#C[C@H]([NH2+][C@@H](Cc1ccc(C(F)(F)F)cc1)C(N)=O)C1CCOCC1 ZINC000853078934 682373187 /nfs/dbraw/zinc/37/31/87/682373187.db2.gz VXTXUUZSIVXQLY-HOTGVXAUSA-N 1 0 354.372 2.120 20 30 FEEDRO C#CCN(CC(=O)OC(C)(C)C)C(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000853535567 682429839 /nfs/dbraw/zinc/42/98/39/682429839.db2.gz ZWLFHBDLKDSLFX-MRXNPFEDSA-N 1 0 351.491 2.093 20 30 FEEDRO C=CCn1c(C2CC2)nn(CN2CCO[C@H](CCC[NH+](C)C)C2)c1=S ZINC000853625110 682447693 /nfs/dbraw/zinc/44/76/93/682447693.db2.gz UPEYUICCCMWJER-MRXNPFEDSA-N 1 0 365.547 2.478 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)NC/C=C/CNC(=O)OC(C)(C)C)CC1 ZINC000788022763 682497324 /nfs/dbraw/zinc/49/73/24/682497324.db2.gz DAGVUAZHYLKAFS-VOTSOKGWSA-N 1 0 352.479 2.017 20 30 FEEDRO COC(=O)CC[NH+]1CCC(N=Nc2cncc(Br)c2)CC1 ZINC000788721374 682553739 /nfs/dbraw/zinc/55/37/39/682553739.db2.gz FJQHVRPSDAOERG-UHFFFAOYSA-N 1 0 355.236 2.271 20 30 FEEDRO C[NH+](C)CCCNC(=S)NN=Cc1c(F)cccc1OC(F)(F)F ZINC000789018247 682573732 /nfs/dbraw/zinc/57/37/32/682573732.db2.gz RROYJRJULZQMEG-UHFFFAOYSA-N 1 0 366.384 2.474 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)CCOCC(F)(F)C(F)(F)F)CC1 ZINC000790660745 682692958 /nfs/dbraw/zinc/69/29/58/682692958.db2.gz VUFJZWWDMVZRDJ-UHFFFAOYSA-N 1 0 356.335 2.195 20 30 FEEDRO CCCCCCCCC[NH+]1CCN(C(=O)CN2C(=O)CCC2=O)CC1 ZINC000792217603 682797092 /nfs/dbraw/zinc/79/70/92/682797092.db2.gz OSPBOXCLACRBII-UHFFFAOYSA-N 1 0 351.491 2.030 20 30 FEEDRO C=CCNC(=O)C[NH+]1CCC2(CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000792330140 682804654 /nfs/dbraw/zinc/80/46/54/682804654.db2.gz AZMKMSOTMXSBEP-UHFFFAOYSA-N 1 0 351.491 2.402 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)[C@@H]2N(C(=O)OC(C)(C)C)CC2(C)C)CC1 ZINC000793446106 682889771 /nfs/dbraw/zinc/88/97/71/682889771.db2.gz TZSXQDGHAQAKDE-HNNXBMFYSA-N 1 0 351.491 2.399 20 30 FEEDRO C#CC[C@H](COC)NC(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000858409673 682966033 /nfs/dbraw/zinc/96/60/33/682966033.db2.gz DYCOYWOULADGBY-WLYUNCDWSA-N 1 0 361.408 2.129 20 30 FEEDRO C[C@H](C#N)Oc1ccc(C[NH2+]C[C@@H]2CCCC[C@H]2NS(C)(=O)=O)cc1 ZINC000796491971 683165878 /nfs/dbraw/zinc/16/58/78/683165878.db2.gz XLFJRMOAWIWHBH-UWWQBHOKSA-N 1 0 365.499 2.175 20 30 FEEDRO CN(c1ccc(OCC[NH+](C)C)cc1)S(=O)(=O)c1ccc(C#N)s1 ZINC000797826149 683277358 /nfs/dbraw/zinc/27/73/58/683277358.db2.gz XHSJJZXOWNWZLO-UHFFFAOYSA-N 1 0 365.480 2.385 20 30 FEEDRO C=CCN1CC[C@@H]([N@H+](CCC)[C@H]2CCN(C(=O)OC(C)(C)C)C2)C1=O ZINC000799119392 683423306 /nfs/dbraw/zinc/42/33/06/683423306.db2.gz CVHWFSXXOSAHSW-JKSUJKDBSA-N 1 0 351.491 2.495 20 30 FEEDRO COc1ccc(C#N)cc1C[NH+]1CCC(CNC(=O)C(F)(F)F)CC1 ZINC000799172304 683432033 /nfs/dbraw/zinc/43/20/33/683432033.db2.gz ILBPJGLTXQZPFF-UHFFFAOYSA-N 1 0 355.360 2.457 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)N[C@@H]2CCN(c3cccc(Cl)c3)C2)CC1 ZINC000921357993 683439709 /nfs/dbraw/zinc/43/97/09/683439709.db2.gz WCPNBHUXXUAEIA-QGZVFWFLSA-N 1 0 360.889 2.316 20 30 FEEDRO Cc1cc(S(=O)(=O)N[C@H](CC[NH+](C)C)c2cccnc2)ccc1C#N ZINC000921480810 683481693 /nfs/dbraw/zinc/48/16/93/683481693.db2.gz STVQBDAXNAPDBP-GOSISDBHSA-N 1 0 358.467 2.233 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)c2cc(Br)ccc2OC)CC1 ZINC000928654855 683482081 /nfs/dbraw/zinc/48/20/81/683482081.db2.gz GEJHZFBOYRYYGC-UHFFFAOYSA-N 1 0 351.244 2.285 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)[C@](C)(CC)CNC(=O)OC(C)(C)C)CC1 ZINC000928654502 683482339 /nfs/dbraw/zinc/48/23/39/683482339.db2.gz FCXPXSRVZGKYOZ-LJQANCHMSA-N 1 0 351.491 2.141 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)C(C)(C)n2cc(C)c(C(F)(F)F)n2)CC1 ZINC000928660656 683483647 /nfs/dbraw/zinc/48/36/47/683483647.db2.gz UDXISESAPLXQCS-UHFFFAOYSA-N 1 0 356.392 2.159 20 30 FEEDRO C=C(C[NH+](C)C)C(=O)N1CCCC[C@H]1c1ncc(Br)cn1 ZINC000928939529 683525017 /nfs/dbraw/zinc/52/50/17/683525017.db2.gz OGOMIORCUFHIQX-ZDUSSCGKSA-N 1 0 353.264 2.411 20 30 FEEDRO CC(C)(C)OC(=O)N1CCN(CC[NH2+]Cc2csc(C#N)c2)CC1 ZINC000921685403 683543118 /nfs/dbraw/zinc/54/31/18/683543118.db2.gz HHCQGJYMUFJFMI-UHFFFAOYSA-N 1 0 350.488 2.262 20 30 FEEDRO C=CC[C@@H](CO)[NH2+][C@@H]1CCOC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000921993696 683632946 /nfs/dbraw/zinc/63/29/46/683632946.db2.gz JMZXWPSQQYLZAB-CVEARBPZSA-N 1 0 354.491 2.462 20 30 FEEDRO C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)Cc1ccc(Cl)c(F)c1 ZINC000922023941 683639448 /nfs/dbraw/zinc/63/94/48/683639448.db2.gz XUZGXAWNDVSUKW-UHFFFAOYSA-N 1 0 358.866 2.338 20 30 FEEDRO O=S1(=O)CCC[C@H](NN=C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000863134225 683680532 /nfs/dbraw/zinc/68/05/32/683680532.db2.gz ORASUNSVWKBSRV-YTQUADARSA-N 1 0 361.511 2.336 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)N[C@H](C)c2ccc(Br)cn2)CC1 ZINC000922291280 683693952 /nfs/dbraw/zinc/69/39/52/683693952.db2.gz WQABBOVUFBEEMP-GFCCVEGCSA-N 1 0 365.275 2.302 20 30 FEEDRO CN(C)c1ccc(C#N)cc1C[NH2+]CCS(=O)(=O)Cc1ccccc1 ZINC000865430663 683981949 /nfs/dbraw/zinc/98/19/49/683981949.db2.gz LGDQRMVOSABFQU-UHFFFAOYSA-N 1 0 357.479 2.329 20 30 FEEDRO N#CCc1ccsc1C(=O)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000866215827 684083573 /nfs/dbraw/zinc/08/35/73/684083573.db2.gz LXJVXYRDQRGVFQ-IBGZPJMESA-N 1 0 355.463 2.181 20 30 FEEDRO N#Cc1cc(F)cc(S(=O)(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000866823268 684161507 /nfs/dbraw/zinc/16/15/07/684161507.db2.gz KKCWSOPNPQVELM-INIZCTEOSA-N 1 0 351.447 2.336 20 30 FEEDRO Cc1ncc(S(=O)(=O)N2CCC([C@@H]3CCC[NH2+]CC3)CC2)cc1C#N ZINC000923702395 684335420 /nfs/dbraw/zinc/33/54/20/684335420.db2.gz NKXBCTUIJNYEKE-OAHLLOKOSA-N 1 0 362.499 2.052 20 30 FEEDRO C#CC[N@@H+](CCO[C@@H]1CCOC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000931740446 684340776 /nfs/dbraw/zinc/34/07/76/684340776.db2.gz DDSVAKPQSNSZHT-QGZVFWFLSA-N 1 0 352.475 2.127 20 30 FEEDRO CCN(C[C@@H](C)C#N)S(=O)(=O)N(CC(C)C)CC1CC[NH+](C)CC1 ZINC000867864136 684413582 /nfs/dbraw/zinc/41/35/82/684413582.db2.gz PCTMGICGHLRSLX-INIZCTEOSA-N 1 0 358.552 2.013 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N[C@H](CCO)c2ccc(Cl)c(F)c2)CC1 ZINC000869702653 684645393 /nfs/dbraw/zinc/64/53/93/684645393.db2.gz RZTJAVJHUSOQFI-QGZVFWFLSA-N 1 0 352.837 2.364 20 30 FEEDRO C=C(Cl)C[C@@H](NC(=O)C1CC[NH+]([C@H]2CCSC2)CC1)C(=O)OCC ZINC000870034243 684678136 /nfs/dbraw/zinc/67/81/36/684678136.db2.gz ZZXOVDJDFHLAJQ-LSDHHAIUSA-N 1 0 374.934 2.394 20 30 FEEDRO N#Cc1ccccc1OC[C@@H](O)C[NH2+]Cc1ccc(Br)cn1 ZINC000872234731 684930104 /nfs/dbraw/zinc/93/01/04/684930104.db2.gz XYPDHPKJSSSPFK-HNNXBMFYSA-N 1 0 362.227 2.245 20 30 FEEDRO CC[C@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)[C@H](O)c1ccccc1 ZINC000872252668 684932429 /nfs/dbraw/zinc/93/24/29/684932429.db2.gz VIHMNFVCQHYVRJ-RBUKOAKNSA-N 1 0 358.463 2.434 20 30 FEEDRO COCC[N@H+](C)CCNC(=O)N[C@H](c1cccc(C#N)c1)C(F)(F)F ZINC000875216060 685756725 /nfs/dbraw/zinc/75/67/25/685756725.db2.gz OTQFQHSGTKAWAR-CQSZACIVSA-N 1 0 358.364 2.039 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)N[C@H](CCO)c1ccc(Cl)c(F)c1 ZINC000875623973 686051233 /nfs/dbraw/zinc/05/12/33/686051233.db2.gz YTMNCFREHKZIMC-MRXNPFEDSA-N 1 0 355.841 2.157 20 30 FEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)NC1(c2noc(CN(CC)CC)n2)CCCC1 ZINC000876737685 686257755 /nfs/dbraw/zinc/25/77/55/686257755.db2.gz UGIXKPGAXYUWRO-CYBMUJFWSA-N 1 0 369.897 2.267 20 30 FEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC(c2nc(-c3ccccn3)no2)CC1 ZINC000876746164 686259220 /nfs/dbraw/zinc/25/92/20/686259220.db2.gz UUPFNVYJDJOMSJ-CYBMUJFWSA-N 1 0 361.833 2.308 20 30 FEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCN([C@@H](C)c2cccc(OC)c2)CC1 ZINC000876755773 686261355 /nfs/dbraw/zinc/26/13/55/686261355.db2.gz WPCOFCSUYCNAAQ-WMLDXEAASA-N 1 0 351.878 2.370 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H]1CCN(c2ccccc2OC(F)F)C1 ZINC000876757291 686261551 /nfs/dbraw/zinc/26/15/51/686261551.db2.gz BSJGRMDVEUBXLE-NEPJUHHUSA-N 1 0 359.804 2.453 20 30 FEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC[C@H](c2ncc(C(=O)OC)s2)C1 ZINC000876979728 686304336 /nfs/dbraw/zinc/30/43/36/686304336.db2.gz PTNVBIPJATYGME-WDEREUQCSA-N 1 0 357.863 2.106 20 30 FEEDRO C=C(C)C[C@@H](NC(=O)c1sc(C2CC[NH2+]CC2)nc1C)C(=O)OC ZINC000877195958 686339144 /nfs/dbraw/zinc/33/91/44/686339144.db2.gz UEGLVUANUFWPOG-CYBMUJFWSA-N 1 0 351.472 2.156 20 30 FEEDRO O=C(C#CC1CC[NH2+]CC1)N[C@@H]1[C@@H]2Cc3ccc(Br)cc3[C@@H]21 ZINC000877262176 686345276 /nfs/dbraw/zinc/34/52/76/686345276.db2.gz YORGERHIYCBNIX-BPQIPLTHSA-N 1 0 359.267 2.206 20 30 FEEDRO N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)NCCOC(F)(F)C(F)(F)F ZINC000877313028 686352970 /nfs/dbraw/zinc/35/29/70/686352970.db2.gz PAERRPRXZYYXCZ-GFCCVEGCSA-N 1 0 363.286 2.033 20 30 FEEDRO C#CCC[NH+]1CCN(C[C@@H](O)COc2cc(Cl)cc(Cl)c2)CC1 ZINC000878313451 686563416 /nfs/dbraw/zinc/56/34/16/686563416.db2.gz GUMMOQZGVVEHQU-MRXNPFEDSA-N 1 0 357.281 2.374 20 30 FEEDRO N#Cc1ccc(NC(=O)CC[NH+]2CCC([C@@H](F)C(N)=O)CC2)cc1Cl ZINC000879043520 686723144 /nfs/dbraw/zinc/72/31/44/686723144.db2.gz DOEPNRHXDQMLPO-MRXNPFEDSA-N 1 0 366.824 2.076 20 30 FEEDRO C[NH+]1CCC2(CCN(CCS(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 ZINC000879247944 686779073 /nfs/dbraw/zinc/77/90/73/686779073.db2.gz KGZVVVQHBIZVQJ-UHFFFAOYSA-N 1 0 361.511 2.140 20 30 FEEDRO N#Cc1cc(NC(=O)NCCCC[N@H+]2CCC[C@@H]2CO)c(F)cc1F ZINC000880716031 687077803 /nfs/dbraw/zinc/07/78/03/687077803.db2.gz MKINXEXLJTUHGI-CYBMUJFWSA-N 1 0 352.385 2.195 20 30 FEEDRO COCCC[NH+]1CCC(NC(=O)Nc2cc(C#N)c(F)cc2F)CC1 ZINC000880715317 687077826 /nfs/dbraw/zinc/07/78/26/687077826.db2.gz QUURPAWXGXSVIG-UHFFFAOYSA-N 1 0 352.385 2.459 20 30 FEEDRO C[C@H](C#N)OCCn1cc([C@@H]([NH3+])c2ccc(Br)cc2)nn1 ZINC000881323529 687124122 /nfs/dbraw/zinc/12/41/22/687124122.db2.gz KMIJLHQETNTXDP-YGRLFVJLSA-N 1 0 350.220 2.017 20 30 FEEDRO CCN1CC[NH+](C[C@H](C)CNc2ncc(C#N)cc2Br)CC1 ZINC000881822047 687226235 /nfs/dbraw/zinc/22/62/35/687226235.db2.gz WYICBMHPTJDQLK-CYBMUJFWSA-N 1 0 366.307 2.401 20 30 FEEDRO C=CCCc1ccc(S(=O)(=O)NCCCC[N@H+]2CCC[C@H]2CO)cc1 ZINC000881921124 687261159 /nfs/dbraw/zinc/26/11/59/687261159.db2.gz XBSOGJVCGLJJPG-SFHVURJKSA-N 1 0 366.527 2.320 20 30 FEEDRO C[N@@H+]1CC[C@H]2CN(C(=O)Nc3ccc(Br)c(C#N)n3)CC[C@@H]21 ZINC000883121963 687572368 /nfs/dbraw/zinc/57/23/68/687572368.db2.gz WMQTYZVMJWCXGC-GWCFXTLKSA-N 1 0 364.247 2.274 20 30 FEEDRO C=CCC[C@@H](COc1ccccc1)[NH2+]C1CCN(S(C)(=O)=O)CC1 ZINC000883170309 687581213 /nfs/dbraw/zinc/58/12/13/687581213.db2.gz QHTPPYACGCJORD-KRWDZBQOSA-N 1 0 352.500 2.414 20 30 FEEDRO C=CCC[C@H]([NH2+]CCNS(=O)(=O)Cc1ccccc1)[C@@H]1CCCO1 ZINC000883175445 687582109 /nfs/dbraw/zinc/58/21/09/687582109.db2.gz HKJDTCCKSDTKMB-ROUUACIJSA-N 1 0 352.500 2.209 20 30 FEEDRO C=CCC[C@@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCCO1 ZINC000883215787 687588892 /nfs/dbraw/zinc/58/88/92/687588892.db2.gz GCHWEBUPAAYMTG-IAGOWNOFSA-N 1 0 368.455 2.472 20 30 FEEDRO C[N@H+](CC1CC1)C[C@@H]1CCN(S(=O)(=O)c2ccc(CCC#N)cc2)C1 ZINC000885037961 688002997 /nfs/dbraw/zinc/00/29/97/688002997.db2.gz CIVDSYPDXBDIJH-SFHVURJKSA-N 1 0 361.511 2.495 20 30 FEEDRO N#Cc1ccc(CSCC(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)cc1 ZINC000885863699 688172462 /nfs/dbraw/zinc/17/24/62/688172462.db2.gz UKGFUZGHMMMHGI-GOSISDBHSA-N 1 0 359.495 2.161 20 30 FEEDRO C=CCOc1c(Cl)cc(C[NH2+][C@@H]2CS(=O)(=O)C[C@@H]2C)cc1OC ZINC000886293741 688227011 /nfs/dbraw/zinc/22/70/11/688227011.db2.gz OTBAOZGMDLYBKX-SMDDNHRTSA-N 1 0 359.875 2.436 20 30 FEEDRO COC[C@@]1(C(=O)OC(C)(C)C)CC[N@H+](C[C@@H](O)CC2(C#N)CCC2)C1 ZINC000886305804 688228802 /nfs/dbraw/zinc/22/88/02/688228802.db2.gz QUUZHFOQVUPCIN-HNAYVOBHSA-N 1 0 352.475 2.111 20 30 FEEDRO C#CC[C@H]1CC[N@@H+](Cc2cc(OCC)n3nc(C(F)(F)F)nc3n2)C1 ZINC000886361581 688235504 /nfs/dbraw/zinc/23/55/04/688235504.db2.gz NHQPQJOCLKRQFI-NSHDSACASA-N 1 0 353.348 2.387 20 30 FEEDRO C=C(C[NH+](C)C)C(=O)N[C@@](C)(C(=O)OC)c1cccc(Br)c1 ZINC000886434470 688256759 /nfs/dbraw/zinc/25/67/59/688256759.db2.gz IFTORVXMWUOBFQ-MRXNPFEDSA-N 1 0 369.259 2.071 20 30 FEEDRO C#CCN(C(=O)c1cn(-c2ccccc2Cl)nn1)C1CC[NH+](C)CC1 ZINC000886582512 688279703 /nfs/dbraw/zinc/27/97/03/688279703.db2.gz XVTQKFOWTNTXOZ-UHFFFAOYSA-N 1 0 357.845 2.090 20 30 FEEDRO C=CCC1(O)CC[NH+](C[C@@]2(O)CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000886778534 688309447 /nfs/dbraw/zinc/30/94/47/688309447.db2.gz GCYGYRIDDWRMFF-IBGZPJMESA-N 1 0 354.491 2.151 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)NC1(c2ncc(Br)cn2)CCC1 ZINC000886842243 688325752 /nfs/dbraw/zinc/32/57/52/688325752.db2.gz LWHBFIZYNGESCB-UHFFFAOYSA-N 1 0 353.264 2.242 20 30 FEEDRO N#CCCc1ccc(S(=O)(=O)N2C[C@@H](C[NH3+])Cc3ccccc32)cc1 ZINC000886889283 688333797 /nfs/dbraw/zinc/33/37/97/688333797.db2.gz OFHBVPJJKODXBG-MRXNPFEDSA-N 1 0 355.463 2.469 20 30 FEEDRO N#Cc1ccc(NC(=O)C(=O)N2CCCC[C@@]3(CC[NH2+]C3)C2)cc1Cl ZINC000887037155 688360888 /nfs/dbraw/zinc/36/08/88/688360888.db2.gz WAFQXNNTSUIEIG-SFHVURJKSA-N 1 0 360.845 2.142 20 30 FEEDRO C#CCC1([NH2+]CC(=O)Nc2cc(C)c(C(=O)OCC)s2)CCOCC1 ZINC000887126881 688370275 /nfs/dbraw/zinc/37/02/75/688370275.db2.gz AWLBPAYZNQBRIC-UHFFFAOYSA-N 1 0 364.467 2.334 20 30 FEEDRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)Nc1nc(Cl)c(C#N)s1 ZINC000888425797 688610488 /nfs/dbraw/zinc/61/04/88/688610488.db2.gz BDMPBZUKGFYAIG-JTQLQIEISA-N 1 0 358.899 2.062 20 30 FEEDRO CC(=O)N1CCc2c(C#N)c(NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)sc2C1 ZINC000893052392 689288205 /nfs/dbraw/zinc/28/82/05/689288205.db2.gz UUAYCRLSEMNKMY-AAEUAGOBSA-N 1 0 360.483 2.193 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNCc1nc(Br)nn1C)C(C)C ZINC000894172621 689480277 /nfs/dbraw/zinc/48/02/77/689480277.db2.gz IOEJSFXVBIPUQC-CYBMUJFWSA-N 1 0 356.312 2.366 20 30 FEEDRO C=C(C)[C@@H](NC(=O)NCC[NH+]1CCC(O)CC1)c1ccc(F)c(F)c1 ZINC000894265013 689497221 /nfs/dbraw/zinc/49/72/21/689497221.db2.gz QSEQJZDGCRJINX-QGZVFWFLSA-N 1 0 353.413 2.338 20 30 FEEDRO C#CCN1CCC(Nc2c(Br)cccc2S(C)(=O)=O)CC1 ZINC000895809140 689774008 /nfs/dbraw/zinc/77/40/08/689774008.db2.gz ZKYBSCFOUVUHQI-UHFFFAOYSA-N 1 0 371.300 2.362 20 30 FEEDRO N#Cc1cccc(Br)c1N1CC[C@@H]2[C@H]1CCCN2CCO ZINC000897220111 689990068 /nfs/dbraw/zinc/99/00/68/689990068.db2.gz SNYHYWVVYBKBBJ-HUUCEWRRSA-N 1 0 350.260 2.356 20 30 FEEDRO C#CCCCCCC[NH2+][C@H]1CCS(=O)(=O)C2(CC(C(=O)OC)C2)C1 ZINC000898486407 690190630 /nfs/dbraw/zinc/19/06/30/690190630.db2.gz CWFFKIKFPKFNSW-PQUAAJSLSA-N 1 0 355.500 2.059 20 30 FEEDRO C[C@@H]1C[NH+](CCCNC(=O)C(F)(F)c2ccccc2C#N)C[C@@H](C)O1 ZINC000900055480 690468082 /nfs/dbraw/zinc/46/80/82/690468082.db2.gz FKAQAHCHGZNEJA-ZIAGYGMSSA-N 1 0 351.397 2.266 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)Nc1nc(CN2C[C@H](C)O[C@@H](C)C2)cs1 ZINC000900326466 690502442 /nfs/dbraw/zinc/50/24/42/690502442.db2.gz FEOOLQASPGUOHT-KBPBESRZSA-N 1 0 352.504 2.199 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)Nc1ccc(CC(=O)N2CCSCC2)cc1 ZINC000900459217 690519207 /nfs/dbraw/zinc/51/92/07/690519207.db2.gz DHFNNMIZWDDLPI-UHFFFAOYSA-N 1 0 361.511 2.251 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)NC[C@H](CO)Cc1ccccc1C(F)(F)F ZINC000901135497 690617178 /nfs/dbraw/zinc/61/71/78/690617178.db2.gz NZFRGQLSORULSI-CQSZACIVSA-N 1 0 358.404 2.481 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)N(CCO)Cc1cc(Br)ccc1F ZINC000901223620 690627200 /nfs/dbraw/zinc/62/72/00/690627200.db2.gz COUSTVCFYYURBQ-UHFFFAOYSA-N 1 0 373.266 2.417 20 30 FEEDRO CC[NH+]1CCC(NC(=O)CON=Cc2ccc(Br)cc2)CC1 ZINC000902153198 690741403 /nfs/dbraw/zinc/74/14/03/690741403.db2.gz DPMXZRYXNDEMLV-UHFFFAOYSA-N 1 0 368.275 2.400 20 30 FEEDRO Cc1nc2sccn2c1C=NOCC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000902271110 690753442 /nfs/dbraw/zinc/75/34/42/690753442.db2.gz JIBOPIINGICZAL-UHFFFAOYSA-N 1 0 363.487 2.044 20 30 FEEDRO C=CCC[C@H](COc1ccccc1)[NH2+]CCS(=O)(=O)N=S(C)(C)=O ZINC000903225371 690869614 /nfs/dbraw/zinc/86/96/14/690869614.db2.gz HBDVXDXMIHIPIX-OAHLLOKOSA-N 1 0 374.528 2.047 20 30 FEEDRO C[C@H]([NH2+]C[C@H]1CCCC[C@H]1NS(C)(=O)=O)c1ccc(C#N)cc1F ZINC000903234814 690873714 /nfs/dbraw/zinc/87/37/14/690873714.db2.gz PUEIQKCEOKNMIY-DXCKQFNASA-N 1 0 353.463 2.456 20 30 FEEDRO C=CCN(C(=O)Nc1ccc(C(C)(C)[NH3+])cc1)[C@H]1CCS(=O)(=O)C1 ZINC000904586158 691036010 /nfs/dbraw/zinc/03/60/10/691036010.db2.gz FANRNYHCJFMLAA-HNNXBMFYSA-N 1 0 351.472 2.087 20 30 FEEDRO N#CCCC[NH2+]C[C@H](O)c1ccc2c(c1)CN(C(=O)C(F)(F)F)CC2 ZINC000905202121 691079441 /nfs/dbraw/zinc/07/94/41/691079441.db2.gz FWGFTKJNKYXDFR-HNNXBMFYSA-N 1 0 355.360 2.060 20 30 FEEDRO O=C(CC[NH2+]C[C@@H](O)C(F)(F)C(F)(F)F)Nc1cc(F)cc(F)c1 ZINC000905448569 691120097 /nfs/dbraw/zinc/12/00/97/691120097.db2.gz XPJRUBSVDYUIAQ-SNVBAGLBSA-N 1 0 362.245 2.442 20 30 FEEDRO N#CC1(C[C@H](O)C[NH2+]CC[C@@H]2CC[C@@H](C(F)(F)F)O2)CCOCC1 ZINC000905556497 691140090 /nfs/dbraw/zinc/14/00/90/691140090.db2.gz NAMOVJXNZQUQGZ-IHRRRGAJSA-N 1 0 350.381 2.147 20 30 FEEDRO CO[C@H](C(=O)NC1(C#N)CC[NH+](C)CC1)c1ccc(Br)s1 ZINC000906601321 691290568 /nfs/dbraw/zinc/29/05/68/691290568.db2.gz QHQWMYUSSMLYMZ-LBPRGKRZSA-N 1 0 372.288 2.302 20 30 FEEDRO CN(CCCC[NH+](C)C)S(=O)(=O)c1ccc(Br)c(C#N)c1 ZINC000907024452 691372883 /nfs/dbraw/zinc/37/28/83/691372883.db2.gz CVCJJIDVDURMOE-UHFFFAOYSA-N 1 0 374.304 2.283 20 30 FEEDRO CN([C@H]1CN2CCC1CC2)S(=O)(=O)c1c(C#N)sc2ccccc21 ZINC000907252245 691432725 /nfs/dbraw/zinc/43/27/25/691432725.db2.gz AOPORVSMDJYLCN-AWEZNQCLSA-N 1 0 361.492 2.488 20 30 FEEDRO C[N@@H+]1CCC[C@](O)(CC(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)C1 ZINC000908005727 691596587 /nfs/dbraw/zinc/59/65/87/691596587.db2.gz IWYIBRHDJBJEJE-HNNXBMFYSA-N 1 0 357.332 2.242 20 30 FEEDRO CC(C)[NH2+]C1(CO)CCN(C(=O)CSCc2ccc(C#N)cc2)CC1 ZINC000908594180 691703207 /nfs/dbraw/zinc/70/32/07/691703207.db2.gz RDZPDKZASROYNU-UHFFFAOYSA-N 1 0 361.511 2.143 20 30 FEEDRO N#Cc1c(Cl)nc(C(F)(F)N2C[C@H]3C[C@@]3([NH3+])C2)nc1C(F)(F)F ZINC001164422071 718888935 /nfs/dbraw/zinc/88/89/35/718888935.db2.gz ZQDIDVNOIDOESD-GPXNAGAYSA-N 1 0 353.682 2.103 20 30 FEEDRO Cc1cnc(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c(C#N)c1 ZINC001164821393 720296658 /nfs/dbraw/zinc/29/66/58/720296658.db2.gz KNGMBVCCLAAJCD-OALUTQOASA-N 1 0 367.497 2.173 20 30 FEEDRO N#Cc1cc2c(nc1N1CC[C@H]3[C@@H]1CC[N@@H+]3Cc1cccnc1)CCOC2 ZINC001164735887 720463876 /nfs/dbraw/zinc/46/38/76/720463876.db2.gz ZAAMEJDARPQYKF-PMACEKPBSA-N 1 0 361.449 2.274 20 30 FEEDRO C[NH+](C)C[C@H]1Cn2ccnc2CN(c2ccc(C3(C#N)CCC3)cn2)C1 ZINC001164728780 720514517 /nfs/dbraw/zinc/51/45/17/720514517.db2.gz LKPBVJJGJGOXAL-INIZCTEOSA-N 1 0 350.470 2.421 20 30 FEEDRO Cc1cc(C#N)c(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)nc1C ZINC001164728041 720558597 /nfs/dbraw/zinc/55/85/97/720558597.db2.gz HYMNILATECHYKC-UHFFFAOYSA-N 1 0 350.470 2.425 20 30 FEEDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1nc(C#N)ccc1[N+](=O)[O-])[C@@H]2C ZINC001164856130 720958027 /nfs/dbraw/zinc/95/80/27/720958027.db2.gz ASSFXOTYKVCCOU-CYBMUJFWSA-N 1 0 369.429 2.479 20 30 FEEDRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ncc(CC#N)cc4Cl)C[C@@H]3C2)cn1 ZINC001164774498 721227579 /nfs/dbraw/zinc/22/75/79/721227579.db2.gz ZYBGWQDHYJPQCH-IRXDYDNUSA-N 1 0 370.888 2.493 20 30 FEEDRO N#Cc1ncc(Cl)nc1N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164900334 721520166 /nfs/dbraw/zinc/52/01/66/721520166.db2.gz QJJZKDHZJBRTCD-HIFRSBDPSA-N 1 0 373.819 2.483 20 30 FEEDRO N#Cc1cnc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c(C#N)c1 ZINC001164898173 721523941 /nfs/dbraw/zinc/52/39/41/721523941.db2.gz IDBYGMBIOWKUBR-MJGOQNOKSA-N 1 0 363.396 2.306 20 30 FEEDRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc(CC#N)ccn2)[C@H]2CCCO[C@H]12 ZINC001164805736 721567963 /nfs/dbraw/zinc/56/79/63/721567963.db2.gz OPKPBGJNHKHWAD-ZVDOUQERSA-N 1 0 363.465 2.411 20 30 FEEDRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2cnc(C#N)cn2)CC1 ZINC001165023455 721839058 /nfs/dbraw/zinc/83/90/58/721839058.db2.gz YHGVMXUBUPHMPH-UHFFFAOYSA-N 1 0 367.453 2.466 20 30 FEEDRO Cc1ccnc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c1C#N ZINC001164980683 722103625 /nfs/dbraw/zinc/10/36/25/722103625.db2.gz JYCGMPJYFUEBHE-AZUAARDMSA-N 1 0 363.465 2.384 20 30 FEEDRO N#CCc1ccnc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164978007 722131454 /nfs/dbraw/zinc/13/14/54/722131454.db2.gz JDCCMRNTNVGVQO-VQTJNVASSA-N 1 0 363.465 2.270 20 30 FEEDRO C[C@H]1CC[N@H+](C)CCN1C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 ZINC000498759724 885703615 /nfs/dbraw/zinc/70/36/15/885703615.db2.gz LNCPNSVCUGNYKI-ZDUSSCGKSA-N 1 0 356.405 2.441 20 30 FEEDRO C=C(Br)C[NH2+]C[C@H](O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000818979526 675249299 /nfs/dbraw/zinc/24/92/99/675249299.db2.gz PGPCEDLHGHQVNS-ZDUSSCGKSA-N 1 0 363.296 2.493 20 30 FEEDRO C#CCN(C)CCC[NH2+]C[C@](C)(O)c1ccc(Br)cc1F ZINC000819334134 675282403 /nfs/dbraw/zinc/28/24/03/675282403.db2.gz COAVWHMYCORYJU-INIZCTEOSA-N 1 0 357.267 2.340 20 30 FEEDRO C=C(C)CN(CC)C(=O)C[NH+]1CCC(C(=O)NCc2ccccc2)CC1 ZINC000016396636 539631075 /nfs/dbraw/zinc/63/10/75/539631075.db2.gz NRPCDCDFJJNKMX-UHFFFAOYSA-N 1 0 357.498 2.439 20 30 FEEDRO N#Cc1ccc(NC(=O)CC[NH+]2CCC(C(=O)N3CCCC3)CC2)cc1 ZINC000026341640 539783885 /nfs/dbraw/zinc/78/38/85/539783885.db2.gz UTZVOIQOJUDPRU-UHFFFAOYSA-N 1 0 354.454 2.221 20 30 FEEDRO CC[N@H+](CC(=O)N1CCN(c2oc(C)nc2C#N)CC1)Cc1ccccc1 ZINC000029693510 539861471 /nfs/dbraw/zinc/86/14/71/539861471.db2.gz AZDHEVKDPYDGQP-UHFFFAOYSA-N 1 0 367.453 2.025 20 30 FEEDRO COC(=O)c1ccc(OC[C@@H](O)C[NH2+][C@H](C)c2ccc(C#N)cc2)cc1 ZINC000030532476 539884037 /nfs/dbraw/zinc/88/40/37/539884037.db2.gz ILWCHXDVNZECDF-KDOFPFPSSA-N 1 0 354.406 2.435 20 30 FEEDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)C(=O)Nc2cccc(C#N)c2)C1 ZINC000041791665 540033874 /nfs/dbraw/zinc/03/38/74/540033874.db2.gz GHUWEBVNWWLXSZ-HZPDHXFCSA-N 1 0 356.470 2.371 20 30 FEEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000043085083 540087842 /nfs/dbraw/zinc/08/78/42/540087842.db2.gz XFSYSHBQJRWZHY-UONOGXRCSA-N 1 0 358.486 2.175 20 30 FEEDRO C[C@H](Cn1cccn1)NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000046465563 540258484 /nfs/dbraw/zinc/25/84/84/540258484.db2.gz PQNZOFRKRPAUFY-QGZVFWFLSA-N 1 0 366.469 2.061 20 30 FEEDRO COc1cc(C#N)ccc1OCCCC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000046997743 540283337 /nfs/dbraw/zinc/28/33/37/540283337.db2.gz MMFVHQMEAIRVPP-IAGOWNOFSA-N 1 0 357.454 2.469 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1nc2nc(C)cc(C)n2n1)C(C)C ZINC000047852013 540330753 /nfs/dbraw/zinc/33/07/53/540330753.db2.gz GTEMUFKIWQYYNI-INIZCTEOSA-N 1 0 356.474 2.170 20 30 FEEDRO CC[NH+](CC)CC1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2OC)CC1 ZINC000050170373 540402323 /nfs/dbraw/zinc/40/23/23/540402323.db2.gz WZQWRJCTTPGWEO-UHFFFAOYSA-N 1 0 372.469 2.086 20 30 FEEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1ccn(C)c(=O)c1 ZINC000053616042 540545950 /nfs/dbraw/zinc/54/59/50/540545950.db2.gz NDLUKSFEGURICR-UHFFFAOYSA-N 1 0 373.526 2.484 20 30 FEEDRO C=C(C)CN(CC)C(=O)C[NH+]1CCC(C(=O)Nc2ncccc2C)CC1 ZINC000054206948 540574847 /nfs/dbraw/zinc/57/48/47/540574847.db2.gz ZVTARENXADIPLI-UHFFFAOYSA-N 1 0 358.486 2.465 20 30 FEEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000054874277 540615669 /nfs/dbraw/zinc/61/56/69/540615669.db2.gz CEFHFSPTQSCPAM-DOTOQJQBSA-N 1 0 370.453 2.027 20 30 FEEDRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)C(=O)Nc2ccc(C#N)cc2)C1 ZINC000054946259 540618133 /nfs/dbraw/zinc/61/81/33/540618133.db2.gz DJFPIUVNOBFZKQ-HUUCEWRRSA-N 1 0 356.470 2.369 20 30 FEEDRO C=C(C)CN(CC)C(=O)CN1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000055172752 540632705 /nfs/dbraw/zinc/63/27/05/540632705.db2.gz CDGIAYWIGAVGCW-UHFFFAOYSA-N 1 0 354.498 2.491 20 30 FEEDRO C[C@H]1CCCCN1C(=O)CN1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000055171785 540633082 /nfs/dbraw/zinc/63/30/82/540633082.db2.gz NLFQJCHANMWGRQ-SFHVURJKSA-N 1 0 354.498 2.467 20 30 FEEDRO N#Cc1c(F)cccc1-n1ccc(NC(=O)NCC[NH+]2CCCCC2)n1 ZINC000540980799 541130218 /nfs/dbraw/zinc/13/02/18/541130218.db2.gz JKTKCEAHOQTLFA-UHFFFAOYSA-N 1 0 356.405 2.490 20 30 FEEDRO C[N@@H+]1CCC[C@H](CNC(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)C1 ZINC000540985951 541131541 /nfs/dbraw/zinc/13/15/41/541131541.db2.gz WPMRYOGABFKYSV-CYBMUJFWSA-N 1 0 356.405 2.346 20 30 FEEDRO CCCC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)CC(N)=O ZINC000063500195 541171525 /nfs/dbraw/zinc/17/15/25/541171525.db2.gz CUWKQJQLVGPNAW-UHFFFAOYSA-N 1 0 362.499 2.415 20 30 FEEDRO Cc1ccccc1OC[C@H](O)C[N@@H+]1CCCN(c2ncccc2C#N)CC1 ZINC000064634546 541213833 /nfs/dbraw/zinc/21/38/33/541213833.db2.gz GXWXIHIYVZUWRL-LJQANCHMSA-N 1 0 366.465 2.214 20 30 FEEDRO Cc1oc(NC(=O)CN2CCC(CC[NH+]3CCOCC3)CC2)c(C#N)c1C ZINC000064344355 541202266 /nfs/dbraw/zinc/20/22/66/541202266.db2.gz LSPZGMOBHMLJGR-UHFFFAOYSA-N 1 0 374.485 2.141 20 30 FEEDRO COc1cccc(/C=N/Cc2cccc(C(=O)NCC[NH+](C)C)c2)c1O ZINC000066255533 541295160 /nfs/dbraw/zinc/29/51/60/541295160.db2.gz HOANISHMQYTXQO-KGENOOAVSA-N 1 0 355.438 2.311 20 30 FEEDRO N#CCCN(C(=O)CCC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccccc1 ZINC000066621363 541349077 /nfs/dbraw/zinc/34/90/77/541349077.db2.gz FOGYBPPRWQVOCN-QGZVFWFLSA-N 1 0 368.481 2.314 20 30 FEEDRO C[N@@H+]1CCC[C@H](CNC(=O)CCC(=O)N(CCC#N)c2ccccc2)C1 ZINC000066638915 541352316 /nfs/dbraw/zinc/35/23/16/541352316.db2.gz VLURTIVPPCQVMN-QGZVFWFLSA-N 1 0 356.470 2.171 20 30 FEEDRO N#Cc1ccc(N2CCC[C@H](NC(=O)NCC[NH+]3CCCCC3)C2)c(F)c1 ZINC000069377799 541681778 /nfs/dbraw/zinc/68/17/78/541681778.db2.gz KSNIVRPZAQNLCU-KRWDZBQOSA-N 1 0 373.476 2.451 20 30 FEEDRO CC(C)[NH+]1CCN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)CC1 ZINC000069474043 541688777 /nfs/dbraw/zinc/68/87/77/541688777.db2.gz DGSZVYYPEUQCJI-QGZVFWFLSA-N 1 0 373.476 2.402 20 30 FEEDRO N#Cc1cccc(NC(=O)C(=O)N[C@@H]2CCC[N@@H+](C3CCCCC3)C2)c1 ZINC000069553918 541696551 /nfs/dbraw/zinc/69/65/51/541696551.db2.gz ABJUSRPASQDTEE-QGZVFWFLSA-N 1 0 354.454 2.410 20 30 FEEDRO N#Cc1ccc(NC(=O)C(=O)N[C@@H]2CCC[N@@H+](C3CCCCC3)C2)cc1 ZINC000069553667 541696737 /nfs/dbraw/zinc/69/67/37/541696737.db2.gz HEUKEFHEVKIULT-QGZVFWFLSA-N 1 0 354.454 2.410 20 30 FEEDRO CC[NH+](CC)CCCNC(=O)C(=O)Nc1cccc(OCCCC#N)c1 ZINC000070678359 541736103 /nfs/dbraw/zinc/73/61/03/541736103.db2.gz MUANNSJZDUPIHB-UHFFFAOYSA-N 1 0 360.458 2.156 20 30 FEEDRO CCCC[N@H+](CCC(=O)Nc1cccc(C#N)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000072629345 541841101 /nfs/dbraw/zinc/84/11/01/541841101.db2.gz GOSRZPUGNDHVID-QGZVFWFLSA-N 1 0 363.483 2.176 20 30 FEEDRO N#Cc1ccc(N2CC[C@@H](N3CC[C@H](C[NH+]4CCCCC4)C3)C2=O)cc1 ZINC000072719815 541857477 /nfs/dbraw/zinc/85/74/77/541857477.db2.gz QZEZPNFPIZKYKZ-UYAOXDASSA-N 1 0 352.482 2.471 20 30 FEEDRO COC(=O)[C@H]1CCC[C@@H](C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)C1 ZINC000073705385 541989227 /nfs/dbraw/zinc/98/92/27/541989227.db2.gz FRRICYRZNFVATE-MOPGFXCFSA-N 1 0 371.481 2.428 20 30 FEEDRO C[C@H](NC(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1)c1cccc(C#N)c1 ZINC000074917966 542136511 /nfs/dbraw/zinc/13/65/11/542136511.db2.gz GARCSCLKRQCRTP-LPHOPBHVSA-N 1 0 355.486 2.041 20 30 FEEDRO CC(C)[C@@](C)(C#N)NC(=O)CN(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076110309 542233906 /nfs/dbraw/zinc/23/39/06/542233906.db2.gz LFDHVNZCPWZYJG-PZJWPPBQSA-N 1 0 356.514 2.495 20 30 FEEDRO C=CCc1ccccc1OC[C@H](O)CN1CC[NH+](CC2CCOCC2)CC1 ZINC000077176302 542350436 /nfs/dbraw/zinc/35/04/36/542350436.db2.gz ZNMCWZYAYIDOHA-OAQYLSRUSA-N 1 0 374.525 2.199 20 30 FEEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000077202540 542354171 /nfs/dbraw/zinc/35/41/71/542354171.db2.gz XZCFKEVKSCCYJZ-INIZCTEOSA-N 1 0 373.501 2.350 20 30 FEEDRO COc1cc(C#N)ccc1OCC[N@@H+]1CCCC[C@H]1CN1CCCC1=O ZINC000077286420 542361360 /nfs/dbraw/zinc/36/13/60/542361360.db2.gz CDNCWOKWIKKVIW-KRWDZBQOSA-N 1 0 357.454 2.423 20 30 FEEDRO C[N@H+](CCCNC(=O)C(=O)Nc1ccc(F)c(C#N)c1)Cc1ccccc1 ZINC000077538396 542394216 /nfs/dbraw/zinc/39/42/16/542394216.db2.gz CXKQEXWVWFZBTB-UHFFFAOYSA-N 1 0 368.412 2.274 20 30 FEEDRO C=C(Cl)CNC(=O)C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000077779113 542419315 /nfs/dbraw/zinc/41/93/15/542419315.db2.gz ZCGQLPMOPBZFDW-UHFFFAOYSA-N 1 0 367.902 2.085 20 30 FEEDRO C[NH+]1CCC(CNC(=O)C(=O)Nc2ccccc2SCCC#N)CC1 ZINC000077823491 542424427 /nfs/dbraw/zinc/42/44/27/542424427.db2.gz DHDVKVMAKMIXCS-UHFFFAOYSA-N 1 0 360.483 2.089 20 30 FEEDRO CC(C)(CCC#N)C[NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000078052233 542438477 /nfs/dbraw/zinc/43/84/77/542438477.db2.gz VVFIQAQFEYPHPS-UHFFFAOYSA-N 1 0 365.499 2.127 20 30 FEEDRO CO[C@H](C)c1nc(CN2CCC[N@H+](CCO[C@H](C)C#N)CC2)cs1 ZINC000801926685 674155389 /nfs/dbraw/zinc/15/53/89/674155389.db2.gz UYRJSOWSEOWBEX-HUUCEWRRSA-N 1 0 352.504 2.287 20 30 FEEDRO N#CCc1ccc(OC[C@@H](O)C[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000078955710 542490937 /nfs/dbraw/zinc/49/09/37/542490937.db2.gz FZBSDWUOMMSLPP-FQEVSTJZSA-N 1 0 369.440 2.454 20 30 FEEDRO C=CCCCN(C)C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000080235948 542577552 /nfs/dbraw/zinc/57/75/52/542577552.db2.gz KLKGIHJWNXAHHY-UHFFFAOYSA-N 1 0 352.523 2.221 20 30 FEEDRO NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)C#Cc3ccccc3)cc2)C1 ZINC000080612436 542598023 /nfs/dbraw/zinc/59/80/23/542598023.db2.gz CYTXXUCLENMEAZ-LJQANCHMSA-N 1 0 361.445 2.374 20 30 FEEDRO N#CCSCCC[N@H+]1CCCN(S(=O)(=O)c2ccccc2)CC1 ZINC000080627491 542598290 /nfs/dbraw/zinc/59/82/90/542598290.db2.gz YLORAMJXLHGBRA-UHFFFAOYSA-N 1 0 353.513 2.030 20 30 FEEDRO Cc1cccc(N2CC[NH+](CCC(=O)N[C@]3(C#N)CCSC3)CC2)c1 ZINC000081031398 542625851 /nfs/dbraw/zinc/62/58/51/542625851.db2.gz UYKGQULEPNWBLR-IBGZPJMESA-N 1 0 358.511 2.023 20 30 FEEDRO CS(=O)(=O)c1ccc(CNC(=[NH2+])N[C@@H]2CCOc3ccccc32)cc1 ZINC000083030895 542690437 /nfs/dbraw/zinc/69/04/37/542690437.db2.gz IWMPWGAQGZCYCJ-MRXNPFEDSA-N 1 0 359.451 2.018 20 30 FEEDRO N#Cc1ccc(NC(=O)NC[C@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)cc1 ZINC000089682000 542769260 /nfs/dbraw/zinc/76/92/60/542769260.db2.gz ATBROEMLPOMBQF-MOPGFXCFSA-N 1 0 350.422 2.315 20 30 FEEDRO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+](C)CCCc2ccccc2)CC1 ZINC000091538798 542811503 /nfs/dbraw/zinc/81/15/03/542811503.db2.gz HJMPTXDTTRBPLY-HXUWFJFHSA-N 1 0 356.514 2.243 20 30 FEEDRO C[NH+](C)[C@@H]1CCCN(C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)C1 ZINC000092423696 542863475 /nfs/dbraw/zinc/86/34/75/542863475.db2.gz LVYGDRZPUIXWRC-LXPRWKDFSA-N 1 0 371.485 2.379 20 30 FEEDRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(Cc2cnc3ccc(C#N)cn23)CC1 ZINC000092665066 542879380 /nfs/dbraw/zinc/87/93/80/542879380.db2.gz ZBYFCKQZPBBGAP-HDICACEKSA-N 1 0 366.513 2.196 20 30 FEEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000097258587 543009098 /nfs/dbraw/zinc/00/90/98/543009098.db2.gz DPRHNKYEJYBFLD-HNNXBMFYSA-N 1 0 372.469 2.275 20 30 FEEDRO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCC(C(=O)Nc2cnn(CC)c2)CC1 ZINC000102398588 543068297 /nfs/dbraw/zinc/06/82/97/543068297.db2.gz QOCXLELIIAQZHR-MRXNPFEDSA-N 1 0 373.501 2.143 20 30 FEEDRO CCOC(=O)N1CCC(NC(=[NH2+])NCc2cc(-c3ccccc3)on2)CC1 ZINC000104177852 543125313 /nfs/dbraw/zinc/12/53/13/543125313.db2.gz HBDAEDCGGZMCQX-UHFFFAOYSA-N 1 0 371.441 2.367 20 30 FEEDRO Cc1cc(C)cc(NC(=[NH2+])NCCCN2CCN(c3ncccn3)CC2)c1 ZINC000104161274 543125598 /nfs/dbraw/zinc/12/55/98/543125598.db2.gz JTHIHNFTXQVRJU-UHFFFAOYSA-N 1 0 367.501 2.032 20 30 FEEDRO COc1ccc(NC(=[NH2+])NC[C@H](c2ccccc2)N2CCOCC2)cc1 ZINC000104170211 543125654 /nfs/dbraw/zinc/12/56/54/543125654.db2.gz GLMQWQUHZXIFDE-LJQANCHMSA-N 1 0 354.454 2.495 20 30 FEEDRO CCN(Cc1ccccc1)C(=O)CNC(=[NH2+])Nc1ccc(OC)c(OC)c1 ZINC000104179782 543125715 /nfs/dbraw/zinc/12/57/15/543125715.db2.gz XLSFUEWYBVAOIT-UHFFFAOYSA-N 1 0 370.453 2.479 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cc(-c3c(C)nn(C)c3C)n[nH]2)CC1 ZINC000106036143 543186281 /nfs/dbraw/zinc/18/62/81/543186281.db2.gz RUTLTFQCJFCKAI-UHFFFAOYSA-N 1 0 356.474 2.197 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)CC1 ZINC000106039344 543186735 /nfs/dbraw/zinc/18/67/35/543186735.db2.gz KPPWJACBNYLPEV-GOSISDBHSA-N 1 0 355.482 2.192 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)CC1 ZINC000106349203 543224866 /nfs/dbraw/zinc/22/48/66/543224866.db2.gz GXJQYAXUJLRVLO-UHFFFAOYSA-N 1 0 360.845 2.307 20 30 FEEDRO CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000106581852 543239564 /nfs/dbraw/zinc/23/95/64/543239564.db2.gz CHMAWCHAZSQSCP-QGZVFWFLSA-N 1 0 357.502 2.114 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)c(C(F)(F)F)c1 ZINC000108403989 543289052 /nfs/dbraw/zinc/28/90/52/543289052.db2.gz MLFGPYOSKQIPOU-CYBMUJFWSA-N 1 0 373.400 2.340 20 30 FEEDRO C=C(C)CN(CC)C(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000108579044 543295352 /nfs/dbraw/zinc/29/53/52/543295352.db2.gz QJSYZYVXRZILGH-IBGZPJMESA-N 1 0 372.513 2.492 20 30 FEEDRO C=CCN(C[C@H](O)c1ccc(Br)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000108871195 543306410 /nfs/dbraw/zinc/30/64/10/543306410.db2.gz BSWLAQXWPKBCLI-CABCVRRESA-N 1 0 374.300 2.158 20 30 FEEDRO N#Cc1ccccc1N1CCC[C@@H](NC(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000109168143 543316904 /nfs/dbraw/zinc/31/69/04/543316904.db2.gz IRQJLAPVQBCLAK-FUHWJXTLSA-N 1 0 367.497 2.311 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cccc(CN3CCOCC3)c2)CC1 ZINC000110734321 543366976 /nfs/dbraw/zinc/36/69/76/543366976.db2.gz NSJDLXCTQQWNCW-UHFFFAOYSA-N 1 0 357.498 2.289 20 30 FEEDRO COc1cc(/C=C/C(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)ccc1OCC#N ZINC000113226726 543477756 /nfs/dbraw/zinc/47/77/56/543477756.db2.gz RCMMYBSEVCJSMJ-UTDDRVLSSA-N 1 0 355.438 2.306 20 30 FEEDRO C[NH+]=C(NCc1nccn1C(F)F)N1CCN(c2ccc(F)cc2)CC1 ZINC000113998483 543501036 /nfs/dbraw/zinc/50/10/36/543501036.db2.gz ISOGCWXUHMFIRE-UHFFFAOYSA-N 1 0 366.391 2.315 20 30 FEEDRO C[NH+]=C(NCCc1nc(C)no1)N(C)Cc1ccc(Br)cc1 ZINC000114085361 543503845 /nfs/dbraw/zinc/50/38/45/543503845.db2.gz GVBYZSRLPDEVHA-UHFFFAOYSA-N 1 0 366.263 2.390 20 30 FEEDRO N#Cc1cccc(NC(=O)C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)c1 ZINC000114843133 543539903 /nfs/dbraw/zinc/53/99/03/543539903.db2.gz KUBOCVMAZMHMRA-LJQANCHMSA-N 1 0 362.433 2.278 20 30 FEEDRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)c2ccc(C#N)nc2)c1 ZINC000115030504 543549698 /nfs/dbraw/zinc/54/96/98/543549698.db2.gz IRYXOBPIKVOKLJ-UHFFFAOYSA-N 1 0 365.437 2.277 20 30 FEEDRO COCC[N@H+](C)CCNC(=O)c1cccc(COc2ccc(C#N)cc2)c1 ZINC000115358067 543562254 /nfs/dbraw/zinc/56/22/54/543562254.db2.gz YQKUMJYLIZWRFU-UHFFFAOYSA-N 1 0 367.449 2.445 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CCC[C@H](C(=O)NC(C)C)C2)CC1 ZINC000116547377 543610268 /nfs/dbraw/zinc/61/02/68/543610268.db2.gz XTYJRHUCNXJNTI-FUHWJXTLSA-N 1 0 364.534 2.410 20 30 FEEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000118101894 543645183 /nfs/dbraw/zinc/64/51/83/543645183.db2.gz XWOVQZGXXXFAAB-BBRMVZONSA-N 1 0 374.510 2.333 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N2CSC[C@H]2C(=O)Nc2cccc(C)c2)CC1 ZINC000120716224 543683857 /nfs/dbraw/zinc/68/38/57/543683857.db2.gz JSELULJSRFCWMU-SFHVURJKSA-N 1 0 371.506 2.180 20 30 FEEDRO C=CCOc1ccc(CN2CCN(CC(=O)NC3CC3)CC2)cc1Cl ZINC000120742125 543684470 /nfs/dbraw/zinc/68/44/70/543684470.db2.gz GGZFVBFDDCXZAB-UHFFFAOYSA-N 1 0 363.889 2.301 20 30 FEEDRO C=CCNC(=O)NC(=O)[C@H](C)N1CCC(Oc2ccc(F)cc2F)CC1 ZINC000120796016 543685191 /nfs/dbraw/zinc/68/51/91/543685191.db2.gz JSOOIJKCKQGEGN-LBPRGKRZSA-N 1 0 367.396 2.208 20 30 FEEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N(C)CCC[NH+](C)C ZINC000121015932 543687975 /nfs/dbraw/zinc/68/79/75/543687975.db2.gz CJQNTYSZCIGKQK-CQSZACIVSA-N 1 0 362.499 2.429 20 30 FEEDRO CN1CCN(C(=O)CC2CC[NH+](CC#Cc3ccc(F)cc3)CC2)CC1 ZINC000121298861 543691862 /nfs/dbraw/zinc/69/18/62/543691862.db2.gz WVTNIJRBAJMZPH-UHFFFAOYSA-N 1 0 357.473 2.053 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CCN(c3ncccc3F)C2)CC1 ZINC000119128462 543664395 /nfs/dbraw/zinc/66/43/95/543664395.db2.gz NQAPMKMYRZQGKJ-MRXNPFEDSA-N 1 0 361.465 2.139 20 30 FEEDRO C[C@@H]1CC[N@H+](C[C@H](O)COc2ccc(CC#N)cc2)C[C@@H]1n1ccnc1 ZINC000119435200 543667577 /nfs/dbraw/zinc/66/75/77/543667577.db2.gz JOJRLTAFSKUUJK-KPFFTGBYSA-N 1 0 354.454 2.272 20 30 FEEDRO N#CC1(C(=O)N2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)CCC1 ZINC000119658584 543670619 /nfs/dbraw/zinc/67/06/19/543670619.db2.gz QACBNGSKLKBTPZ-SFHVURJKSA-N 1 0 367.497 2.136 20 30 FEEDRO N#CCCN(CCC#N)C(=O)CN1CC[C@@H](Oc2cccc(Cl)c2)C1 ZINC000120240406 543677303 /nfs/dbraw/zinc/67/73/03/543677303.db2.gz JDFLOAJXQOZRFR-QGZVFWFLSA-N 1 0 360.845 2.449 20 30 FEEDRO C[C@H]1C[C@@H](N(C)C(=O)C(=O)Nc2cccc(OCCCC#N)c2)CC[N@@H+]1C ZINC000120551462 543681839 /nfs/dbraw/zinc/68/18/39/543681839.db2.gz KKSPADLPURQOSF-RDJZCZTQSA-N 1 0 372.469 2.249 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1cccnc1OCC(F)F ZINC000123782704 543782880 /nfs/dbraw/zinc/78/28/80/543782880.db2.gz CXUQGRANVFXJMN-UHFFFAOYSA-N 1 0 355.389 2.425 20 30 FEEDRO C[C@@H](C(=O)Nc1ccc(Cl)cc1)[N@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000125486957 543884194 /nfs/dbraw/zinc/88/41/94/543884194.db2.gz JIZQTSTZAOIFDO-NSHDSACASA-N 1 0 360.849 2.409 20 30 FEEDRO C=C[C@H](CC(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C)c1ccccc1 ZINC000125575721 543889896 /nfs/dbraw/zinc/88/98/96/543889896.db2.gz VFOQHZMTTYJBDS-MJGOQNOKSA-N 1 0 357.498 2.405 20 30 FEEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+][C@H]2CCCC[C@H]2n2cccn2)c1 ZINC000127930950 544022715 /nfs/dbraw/zinc/02/27/15/544022715.db2.gz RGXRRJCCMHKELZ-ZWKOTPCHSA-N 1 0 358.467 2.302 20 30 FEEDRO N#Cc1ccc(C(=O)NCCC[NH+]2CCN(c3cccc(Cl)c3)CC2)[nH]1 ZINC000127467111 543994574 /nfs/dbraw/zinc/99/45/74/543994574.db2.gz ALCWBSJVPWTIFJ-UHFFFAOYSA-N 1 0 371.872 2.482 20 30 FEEDRO CC(C)CCn1cc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)nn1 ZINC000129203497 544096844 /nfs/dbraw/zinc/09/68/44/544096844.db2.gz YWAOTZNDRMIZSU-UHFFFAOYSA-N 1 0 368.485 2.400 20 30 FEEDRO C=CCc1cc(CN2CCN(c3nccc(OC)n3)CC2)cc(OC)c1O ZINC000129588902 544119701 /nfs/dbraw/zinc/11/97/01/544119701.db2.gz DSYLBMFQQIPAGP-UHFFFAOYSA-N 1 0 370.453 2.250 20 30 FEEDRO C=CCNC(=O)[C@@H](C)N1CCN(Cc2cc(Cl)ccc2OC)CC1 ZINC000130590868 544156838 /nfs/dbraw/zinc/15/68/38/544156838.db2.gz CZOKJNDRYWIJDM-CQSZACIVSA-N 1 0 351.878 2.157 20 30 FEEDRO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[NH2+][C@@H]2CCCC[C@@H]2C(N)=O)cc1 ZINC000130672937 544160421 /nfs/dbraw/zinc/16/04/21/544160421.db2.gz SRRUXGAPDFVRFG-RYQLBKOJSA-N 1 0 356.470 2.264 20 30 FEEDRO O=C(C[N@H+]1CCCN(CC#Cc2ccccc2Cl)CC1)N1CCCC1 ZINC000134979412 544330332 /nfs/dbraw/zinc/33/03/32/544330332.db2.gz DALZPLDNXUNJOI-UHFFFAOYSA-N 1 0 359.901 2.322 20 30 FEEDRO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccc(C#N)cc1F)c1ccc(F)cc1 ZINC000136025176 544365050 /nfs/dbraw/zinc/36/50/50/544365050.db2.gz IKAYIIRTOFJRKH-QGZVFWFLSA-N 1 0 372.375 2.194 20 30 FEEDRO C[NH+](C)CCCCCCCNC(=O)N1CCN(c2cc(C#N)ccn2)CC1 ZINC000140327426 544408330 /nfs/dbraw/zinc/40/83/30/544408330.db2.gz BLLJPBQHSVUPRV-UHFFFAOYSA-N 1 0 372.517 2.297 20 30 FEEDRO N#Cc1ccc(OC[C@H](O)CN2CC[NH+](CCc3cccs3)CC2)cc1 ZINC000141417518 544412983 /nfs/dbraw/zinc/41/29/83/544412983.db2.gz BUTYKLPWTVDQKO-GOSISDBHSA-N 1 0 371.506 2.220 20 30 FEEDRO CN1CCC(CNc2nccc(C#N)c2[N+](=O)[O-])([NH+]2CCCCC2)CC1 ZINC000150923117 544486619 /nfs/dbraw/zinc/48/66/19/544486619.db2.gz OVBFYOMFPOBGFS-UHFFFAOYSA-N 1 0 358.446 2.224 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)c(F)c1 ZINC000151217052 544518002 /nfs/dbraw/zinc/51/80/02/544518002.db2.gz ZSVOLIQMCMKUNE-HNNXBMFYSA-N 1 0 351.447 2.336 20 30 FEEDRO C[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)C[N@@H+]1C1CC1 ZINC000151790419 544580318 /nfs/dbraw/zinc/58/03/18/544580318.db2.gz MHJYWFDVKKKZLF-CJNGLKHVSA-N 1 0 354.454 2.168 20 30 FEEDRO C=CC[C@H](C)[C@@H](C)[NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000152141450 544618378 /nfs/dbraw/zinc/61/83/78/544618378.db2.gz LANTURYNWFUUKQ-UONOGXRCSA-N 1 0 358.529 2.459 20 30 FEEDRO C[C@H](CNS(=O)(=O)c1cccc(Br)c1C#N)[N@H+](C)C1CC1 ZINC000553479823 674264717 /nfs/dbraw/zinc/26/47/17/674264717.db2.gz PDYNFNQASPKOMQ-SNVBAGLBSA-N 1 0 372.288 2.082 20 30 FEEDRO CCCC[N@H+](C)CCNS(=O)(=O)c1cccc(Br)c1C#N ZINC000553493375 674265875 /nfs/dbraw/zinc/26/58/75/674265875.db2.gz CXHOVOARUBODIJ-UHFFFAOYSA-N 1 0 374.304 2.331 20 30 FEEDRO C[C@@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)C(=O)NCc1ccco1 ZINC000181737535 327744201 /nfs/dbraw/zinc/74/42/01/327744201.db2.gz JUCHCHNFOXJGKP-MRXNPFEDSA-N 1 0 366.465 2.410 20 30 FEEDRO CC1CC[NH+](CCCNC(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1 ZINC000184593616 327874666 /nfs/dbraw/zinc/87/46/66/327874666.db2.gz YYRULEGAOQOZBQ-UHFFFAOYSA-N 1 0 367.457 2.382 20 30 FEEDRO C[C@@H](O)C[N@@H+]1CCN(C(=O)CCCCOc2cccc(C#N)c2)[C@H](C)C1 ZINC000188691177 328104534 /nfs/dbraw/zinc/10/45/34/328104534.db2.gz ZOXGQSAYQDGSLO-IAGOWNOFSA-N 1 0 359.470 2.021 20 30 FEEDRO CCO[C@H]1C[C@](CO)([NH2+]CC(=O)Nc2cc(Cl)ccc2C#N)C1(C)C ZINC000189959921 328178924 /nfs/dbraw/zinc/17/89/24/328178924.db2.gz AAXBCQKZLRVGAE-MAUKXSAKSA-N 1 0 365.861 2.306 20 30 FEEDRO CCO[C@@H]1C[C@](CO)([NH2+]CCC(=O)Nc2sccc2C#N)C1(C)C ZINC000189996967 328181362 /nfs/dbraw/zinc/18/13/62/328181362.db2.gz HIRZPFZFFONRAB-CXAGYDPISA-N 1 0 351.472 2.104 20 30 FEEDRO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000191230627 328255235 /nfs/dbraw/zinc/25/52/35/328255235.db2.gz VZFPIJTTXDCSEJ-VYDXJSESSA-N 1 0 352.394 2.382 20 30 FEEDRO CN(CCCOc1cccc(S(C)(=O)=O)c1)Cc1cc(C#N)n(C)c1 ZINC000191276935 328257798 /nfs/dbraw/zinc/25/77/98/328257798.db2.gz SNVBBSWPFJBLJY-UHFFFAOYSA-N 1 0 361.467 2.201 20 30 FEEDRO Cn1cc(CNc2ccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)cc2)cc1C#N ZINC000191421914 328264832 /nfs/dbraw/zinc/26/48/32/328264832.db2.gz LKOFCAACBSZPQL-KRWDZBQOSA-N 1 0 351.454 2.206 20 30 FEEDRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)c2ccnc(C#N)c2)c1 ZINC000192728980 328335634 /nfs/dbraw/zinc/33/56/34/328335634.db2.gz CEECMYOTATYIDY-UHFFFAOYSA-N 1 0 365.437 2.277 20 30 FEEDRO N#Cc1ccc(N2CCN(C(=O)C3CC[NH+](C4CC4)CC3)CC2)c(F)c1 ZINC000195424832 328476312 /nfs/dbraw/zinc/47/63/12/328476312.db2.gz FYLFVNIJUFLZSW-UHFFFAOYSA-N 1 0 356.445 2.220 20 30 FEEDRO C[C@@H](CNC(=O)C(=O)Nc1cc(C#N)ccc1Cl)C[NH+]1CCCCC1 ZINC000088771232 325300871 /nfs/dbraw/zinc/30/08/71/325300871.db2.gz UGGJOESPODQBRK-ZDUSSCGKSA-N 1 0 362.861 2.388 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(N3CCCC3)c(F)c2)c1C#N ZINC000089674024 325325933 /nfs/dbraw/zinc/32/59/33/325325933.db2.gz HDCCJAUGZHYVJI-UHFFFAOYSA-N 1 0 370.432 2.425 20 30 FEEDRO COc1cc(C#N)ccc1OCC(=O)N1CCC[C@@H]([NH+]2CCCCC2)C1 ZINC000107639027 325632148 /nfs/dbraw/zinc/63/21/48/325632148.db2.gz RMNLCCMUFMRLDL-QGZVFWFLSA-N 1 0 357.454 2.423 20 30 FEEDRO N#Cc1cc(S(=O)(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)ccc1F ZINC000107707540 325633855 /nfs/dbraw/zinc/63/38/55/325633855.db2.gz OTEGCIVSWXMUKD-HNNXBMFYSA-N 1 0 351.447 2.336 20 30 FEEDRO C[NH+](C)Cc1cc(CNC(=O)C(=O)Nc2ccc(C#N)cc2)ccc1F ZINC000115880414 325984533 /nfs/dbraw/zinc/98/45/33/325984533.db2.gz KYOOIWPCULHUCS-UHFFFAOYSA-N 1 0 354.385 2.014 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cccc(-n2ccnn2)c1 ZINC000120316782 326249125 /nfs/dbraw/zinc/24/91/25/326249125.db2.gz HIGVOZUOBOJADF-UHFFFAOYSA-N 1 0 374.448 2.343 20 30 FEEDRO CCC[NH+]1CCC(CNS(=O)(=O)Cc2cc(C#N)ccc2F)CC1 ZINC000120858632 326294001 /nfs/dbraw/zinc/29/40/01/326294001.db2.gz ARNWYNRXEDBOAB-UHFFFAOYSA-N 1 0 353.463 2.239 20 30 FEEDRO Cc1cccc(NC(=O)C(=O)N2CCC([N@H+]3CCC[C@H]3C)CC2)c1C#N ZINC000121720568 326361206 /nfs/dbraw/zinc/36/12/06/326361206.db2.gz VOCFXUIGWDDSDA-OAHLLOKOSA-N 1 0 354.454 2.281 20 30 FEEDRO CCC[C@H]1CN(CCOc2ccc(C#N)cc2OC)CC[N@@H+]1CCOC ZINC000121958828 326378386 /nfs/dbraw/zinc/37/83/86/326378386.db2.gz QLQQIBGPIHHFKR-SFHVURJKSA-N 1 0 361.486 2.378 20 30 FEEDRO C[NH+](C)CCOc1cc(CNC(=O)Nc2ccc(F)cc2C#N)ccn1 ZINC000129938110 326548719 /nfs/dbraw/zinc/54/87/19/326548719.db2.gz PSQREUUJRAWCNJ-UHFFFAOYSA-N 1 0 357.389 2.354 20 30 FEEDRO CC(C)C[NH+]1CCN(C(=O)CCCC(=O)Nc2ccccc2C#N)CC1 ZINC000133598047 326611674 /nfs/dbraw/zinc/61/16/74/326611674.db2.gz RNMCWDZNCDHWAR-UHFFFAOYSA-N 1 0 356.470 2.467 20 30 FEEDRO C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C ZINC000150841471 326669156 /nfs/dbraw/zinc/66/91/56/326669156.db2.gz AUGTXMZBTFDHIN-CYBMUJFWSA-N 1 0 366.421 2.125 20 30 FEEDRO C[NH+]1CCN(Cc2cccc(NS(=O)(=O)c3ccc(C#N)cc3)c2)CC1 ZINC000153943194 326746998 /nfs/dbraw/zinc/74/69/98/326746998.db2.gz AYPFEUBFJOTRFK-UHFFFAOYSA-N 1 0 370.478 2.106 20 30 FEEDRO Cc1ccc(C[NH+](C)C)cc1NC(=O)CNC(=O)c1ccc(C#N)cc1 ZINC000155193408 326780759 /nfs/dbraw/zinc/78/07/59/326780759.db2.gz ZBEYWYLXKZSCQZ-UHFFFAOYSA-N 1 0 350.422 2.297 20 30 FEEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)CSCC[NH+](C)C ZINC000157844332 326877211 /nfs/dbraw/zinc/87/72/11/326877211.db2.gz ADBZIZZRMFUPOX-UHFFFAOYSA-N 1 0 352.504 2.246 20 30 FEEDRO N#Cc1cc(S(=O)(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)ccc1F ZINC000160169080 326955867 /nfs/dbraw/zinc/95/58/67/326955867.db2.gz BLIZTWAITHWZHE-OAHLLOKOSA-N 1 0 351.447 2.336 20 30 FEEDRO N#Cc1ccc(C(=O)NCCN2CCN(c3cccc(Cl)c3)CC2)nc1 ZINC000161561619 327002733 /nfs/dbraw/zinc/00/27/33/327002733.db2.gz JBBKQQSAAWEVPW-UHFFFAOYSA-N 1 0 369.856 2.159 20 30 FEEDRO Cc1cc(C#N)ccc1S(=O)(=O)NCc1ccccc1OCC[NH+](C)C ZINC000172674207 327214134 /nfs/dbraw/zinc/21/41/34/327214134.db2.gz WSQZUYKPMJERDP-UHFFFAOYSA-N 1 0 373.478 2.286 20 30 FEEDRO C[C@H](C(=O)Nc1ccccc1C#N)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173950922 327297262 /nfs/dbraw/zinc/29/72/62/327297262.db2.gz GAKRGYKYTLLLBA-QGZVFWFLSA-N 1 0 370.497 2.462 20 30 FEEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000174540784 327333385 /nfs/dbraw/zinc/33/33/85/327333385.db2.gz ZQUYGXUJIURWHF-KRWDZBQOSA-N 1 0 370.497 2.130 20 30 FEEDRO N#Cc1c(NC(=O)CC[N@H+]2CC[C@](O)(C(F)(F)F)C2)sc2c1CCC2 ZINC000174747609 327348041 /nfs/dbraw/zinc/34/80/41/327348041.db2.gz LZLZVGGTFLMYNU-OAHLLOKOSA-N 1 0 373.400 2.436 20 30 FEEDRO N#Cc1c(NC(=O)CC[N@H+]2CCC[C@H](CC(N)=O)C2)sc2c1CCCC2 ZINC000175254294 327382659 /nfs/dbraw/zinc/38/26/59/327382659.db2.gz MRAJXTNUORZECN-CYBMUJFWSA-N 1 0 374.510 2.415 20 30 FEEDRO CCn1cnc2c1ncnc2N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000264659384 329045264 /nfs/dbraw/zinc/04/52/64/329045264.db2.gz QOMJYIVYTZQTTD-UHFFFAOYSA-N 1 0 361.453 2.430 20 30 FEEDRO CCCNC(=O)CCCC(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000264754614 329056859 /nfs/dbraw/zinc/05/68/59/329056859.db2.gz KCYMZWDFWUNBFL-UHFFFAOYSA-N 1 0 358.486 2.145 20 30 FEEDRO COc1ccc(C#N)cc1NC(=O)C(=O)NCCCCC[NH+]1CCCCC1 ZINC000264876519 329069955 /nfs/dbraw/zinc/06/99/55/329069955.db2.gz TUCKETUSLASBTO-UHFFFAOYSA-N 1 0 372.469 2.278 20 30 FEEDRO CNC(=O)C[NH+]1CCC(Nc2c(C#N)cnc3c(C)cc(C)cc32)CC1 ZINC000266105921 329190841 /nfs/dbraw/zinc/19/08/41/329190841.db2.gz RHRCDPNNYMKHDK-UHFFFAOYSA-N 1 0 351.454 2.346 20 30 FEEDRO C[NH+]1CCC(C(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)CC1 ZINC000266873708 329268245 /nfs/dbraw/zinc/26/82/45/329268245.db2.gz YRPBIADKAZKLIC-UHFFFAOYSA-N 1 0 354.454 2.077 20 30 FEEDRO CCOC(=O)CC1CCN([C@@H]2CCN(c3sccc3C#N)C2=O)CC1 ZINC000267558709 329338116 /nfs/dbraw/zinc/33/81/16/329338116.db2.gz GRKHNICURKZHHO-OAHLLOKOSA-N 1 0 361.467 2.390 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCc1ccncc1 ZINC000268648661 329442560 /nfs/dbraw/zinc/44/25/60/329442560.db2.gz PSCAKDLGHQDMRP-UHFFFAOYSA-N 1 0 351.454 2.269 20 30 FEEDRO CC(C)[NH+]1CCC(N2CCN(c3ccc(C#N)cc3[N+](=O)[O-])CC2)CC1 ZINC000269364764 329511801 /nfs/dbraw/zinc/51/18/01/329511801.db2.gz WUEMXNBEMPPCMA-UHFFFAOYSA-N 1 0 357.458 2.461 20 30 FEEDRO C[NH+](C)CCCC1CCN(C(=O)C(=O)N2CCc3ccc(C#N)cc32)CC1 ZINC000271012401 329654304 /nfs/dbraw/zinc/65/43/04/329654304.db2.gz ZDIXMIZKZUVKOU-UHFFFAOYSA-N 1 0 368.481 2.028 20 30 FEEDRO CN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000275508557 330057085 /nfs/dbraw/zinc/05/70/85/330057085.db2.gz UJIOVZAKHMDISE-UHFFFAOYSA-N 1 0 364.449 2.259 20 30 FEEDRO CN(C(=O)C(=O)Nc1cccc(C#N)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000275791886 330089617 /nfs/dbraw/zinc/08/96/17/330089617.db2.gz YOCJLMAJJAEGGQ-IBGZPJMESA-N 1 0 362.433 2.230 20 30 FEEDRO CC(C)[C@@H]1CCc2c(C#N)c(NC(=O)C(=O)N3CC[C@H]([NH3+])[C@@H]3C)sc2C1 ZINC000331785595 330200800 /nfs/dbraw/zinc/20/08/00/330200800.db2.gz IRTUGJJNJBXRKS-ZOWXZIJZSA-N 1 0 374.510 2.267 20 30 FEEDRO COc1ccc(C[NH2+]CC(=O)N[C@@H]2CCOc3ccccc32)cc1C#N ZINC000367066711 330213101 /nfs/dbraw/zinc/21/31/01/330213101.db2.gz OAHWLCDIFMAWIK-QGZVFWFLSA-N 1 0 351.406 2.296 20 30 FEEDRO Cc1ccc(C#N)cc1NC(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000367184297 330227348 /nfs/dbraw/zinc/22/73/48/330227348.db2.gz JLYGPHPQDDSXIB-QFBILLFUSA-N 1 0 355.486 2.356 20 30 FEEDRO COc1cc(C#N)ccc1C[N@H+](C)C1CCN(CC(=O)N2CCCC2)CC1 ZINC000367254113 330236729 /nfs/dbraw/zinc/23/67/29/330236729.db2.gz GERBZODXVHMOCD-UHFFFAOYSA-N 1 0 370.497 2.085 20 30 FEEDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000367265176 330238011 /nfs/dbraw/zinc/23/80/11/330238011.db2.gz SYKRWFNQEGCZQN-IUODEOHRSA-N 1 0 360.845 2.235 20 30 FEEDRO C#CCCCS(=O)(=O)NCc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000804948281 674308754 /nfs/dbraw/zinc/30/87/54/674308754.db2.gz OJMXOCWWOLRWJX-IAGOWNOFSA-N 1 0 364.511 2.129 20 30 FEEDRO C#CCCCS(=O)(=O)NCCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000805055313 674315781 /nfs/dbraw/zinc/31/57/81/674315781.db2.gz VONHQBZKEVWBQD-UHFFFAOYSA-N 1 0 364.511 2.037 20 30 FEEDRO COC[C@@H](NC(=O)N(C)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1)C1CC1 ZINC000328625966 522159876 /nfs/dbraw/zinc/15/98/76/522159876.db2.gz LFZMKYQFTLMYOK-CGTJXYLNSA-N 1 0 363.506 2.074 20 30 FEEDRO C=CCC[C@@H](NC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1)c1ccccc1 ZINC000155391084 545520309 /nfs/dbraw/zinc/52/03/09/545520309.db2.gz ZOASFQAYCGSJMM-QGZVFWFLSA-N 1 0 369.469 2.207 20 30 FEEDRO CC(C)CN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(Cl)c(C#N)c1 ZINC000155632420 545551886 /nfs/dbraw/zinc/55/18/86/545551886.db2.gz DLZGLFQISRBOEH-UHFFFAOYSA-N 1 0 350.850 2.196 20 30 FEEDRO C[N@@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)CC1CCOCC1 ZINC000156020095 545592419 /nfs/dbraw/zinc/59/24/19/545592419.db2.gz AXJTXCOVWWVAGA-UHFFFAOYSA-N 1 0 353.426 2.041 20 30 FEEDRO C=CCCCCCN(C)S(=O)(=O)c1c(C)nn(CC[NH+](C)C)c1C ZINC000477582617 561148434 /nfs/dbraw/zinc/14/84/34/561148434.db2.gz UGYFGZVRRMEGHA-UHFFFAOYSA-N 1 0 356.536 2.428 20 30 FEEDRO CCOCCO[C@H]1CC[N@@H+]([C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1 ZINC000157674454 545768474 /nfs/dbraw/zinc/76/84/74/545768474.db2.gz AXNZMKYGXYDRTL-NNVNDSJASA-N 1 0 365.518 2.433 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)Cc2c(Cl)cccc2OC)c1C#N ZINC000158958547 545909489 /nfs/dbraw/zinc/90/94/89/545909489.db2.gz QWWJTKUGSIZWQG-UHFFFAOYSA-N 1 0 361.833 2.277 20 30 FEEDRO C=C(C)C[N@@H+](CC)Cc1ccc(OCC(=O)N2CCOCC2)c(OC)c1 ZINC000159005043 545913814 /nfs/dbraw/zinc/91/38/14/545913814.db2.gz WJZICQDBVJSZSS-UHFFFAOYSA-N 1 0 362.470 2.331 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)NCCOc2ncccc2Cl)CC1 ZINC000159339145 545944624 /nfs/dbraw/zinc/94/46/24/545944624.db2.gz PEPBAVLDRJOPCB-UHFFFAOYSA-N 1 0 352.866 2.454 20 30 FEEDRO CC(C)(CNC(=[NH2+])Nc1ccccc1OC(F)(F)F)N1CCOCC1 ZINC000160604374 546055536 /nfs/dbraw/zinc/05/55/36/546055536.db2.gz YJZVNPSPTSHKKV-UHFFFAOYSA-N 1 0 360.380 2.423 20 30 FEEDRO C[C@@H](CNS(=O)(=O)Cc1cc(C#N)ccc1F)[NH+]1CCC(C)CC1 ZINC000161448822 546130947 /nfs/dbraw/zinc/13/09/47/546130947.db2.gz KTCSOQNLSYVCIA-AWEZNQCLSA-N 1 0 353.463 2.237 20 30 FEEDRO N#CCCCS(=O)(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000161831875 546134160 /nfs/dbraw/zinc/13/41/60/546134160.db2.gz AIMMCOJJBMYQPS-OAHLLOKOSA-N 1 0 371.890 2.233 20 30 FEEDRO C[C@H]([NH2+]CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)[C@H]1CCOC1 ZINC000162929350 546142831 /nfs/dbraw/zinc/14/28/31/546142831.db2.gz JVKSNTXSNCVJKA-ZFWWWQNUSA-N 1 0 354.372 2.188 20 30 FEEDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)Nc1ccn(CCC#N)n1 ZINC000163493991 546145655 /nfs/dbraw/zinc/14/56/55/546145655.db2.gz JFRITXXWOXUQRN-RDJZCZTQSA-N 1 0 352.442 2.439 20 30 FEEDRO C=CCOc1cccc(NC(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)c1 ZINC000165169728 546152312 /nfs/dbraw/zinc/15/23/12/546152312.db2.gz RIFYTJGGVDMZMB-GOSISDBHSA-N 1 0 372.469 2.022 20 30 FEEDRO C#CCOc1ccccc1C[NH2+]Cc1cccc(C(=O)N2CCOCC2)c1 ZINC000166278578 546155747 /nfs/dbraw/zinc/15/57/47/546155747.db2.gz OILAUIGAAMMFNK-UHFFFAOYSA-N 1 0 364.445 2.461 20 30 FEEDRO COc1ccccc1CNC(=[NH2+])NC[C@@H](c1ccc(C)o1)N1CCOCC1 ZINC000170909195 546182043 /nfs/dbraw/zinc/18/20/43/546182043.db2.gz YGTVKZKSWSWCKX-KRWDZBQOSA-N 1 0 372.469 2.074 20 30 FEEDRO N#Cc1ccccc1N1CCN(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000171005139 546184668 /nfs/dbraw/zinc/18/46/68/546184668.db2.gz XQFLQCZWOPTHRA-UHFFFAOYSA-N 1 0 355.486 2.266 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)[C@@H]2CSCN2C(=O)/C(C)=C/CC)CC1 ZINC000171715374 546220326 /nfs/dbraw/zinc/22/03/26/546220326.db2.gz PHZQDQNRBSPSSO-CQMBDMNQSA-N 1 0 351.516 2.011 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)Nc2cccc(CS(C)(=O)=O)c2C)CC1 ZINC000172109220 546236594 /nfs/dbraw/zinc/23/65/94/546236594.db2.gz OOZPSBWNRQMVEY-UHFFFAOYSA-N 1 0 365.499 2.312 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccccc2OC(F)(F)F)CC1 ZINC000173275186 546277076 /nfs/dbraw/zinc/27/70/76/546277076.db2.gz WKOYZQIDCAINCJ-UHFFFAOYSA-N 1 0 371.359 2.290 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccc3ccn(CC(=O)NC)c3c2)CC1 ZINC000173896283 546288143 /nfs/dbraw/zinc/28/81/43/546288143.db2.gz AVXAFGKUIZHFRR-UHFFFAOYSA-N 1 0 369.469 2.159 20 30 FEEDRO CC(C)n1cnnc1[C@H]1CCCN(CC(=O)NC2(C#N)CCCCC2)C1 ZINC000174554423 546298949 /nfs/dbraw/zinc/29/89/49/546298949.db2.gz MLHPNBWMQFEGMU-INIZCTEOSA-N 1 0 358.490 2.381 20 30 FEEDRO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CCC[C@H](CC(N)=O)C2)cc1 ZINC000175251516 546307793 /nfs/dbraw/zinc/30/77/93/546307793.db2.gz ZJVOCSYHJWNTNV-IAGOWNOFSA-N 1 0 356.470 2.218 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)Nc1nc(C)cs1)C(C)C ZINC000175846754 546362097 /nfs/dbraw/zinc/36/20/97/546362097.db2.gz JCPUMLKSZOTJLW-CQSZACIVSA-N 1 0 350.488 2.205 20 30 FEEDRO CN(C)C(=O)Cc1ccc(NC(=O)N(CCC#N)CCC[NH+](C)C)cc1 ZINC000176551802 546460163 /nfs/dbraw/zinc/46/01/63/546460163.db2.gz CBLBBBGSIZVDFS-UHFFFAOYSA-N 1 0 359.474 2.017 20 30 FEEDRO CC(C)C[N@@H+]1CCC[C@H](CNS(=O)(=O)Cc2ccc(C#N)cc2F)C1 ZINC000480712320 561215103 /nfs/dbraw/zinc/21/51/03/561215103.db2.gz SIWHKMQFRDELSG-MRXNPFEDSA-N 1 0 367.490 2.485 20 30 FEEDRO COC(=O)[C@]1(C)CC[N@H+](CC(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000177467916 546625372 /nfs/dbraw/zinc/62/53/72/546625372.db2.gz YEYFEFWLFGGQGH-HXUWFJFHSA-N 1 0 357.454 2.435 20 30 FEEDRO N#Cc1csc(C[NH2+]CCC(=O)N2CCN(c3ccccc3)CC2)c1 ZINC000177693221 546669359 /nfs/dbraw/zinc/66/93/59/546669359.db2.gz BFTTTWXLQFTQCK-UHFFFAOYSA-N 1 0 354.479 2.448 20 30 FEEDRO C=C(C)C[N@@H+](C)CCC(=O)Nc1sc(C(=O)OC)c(C)c1C(=O)OC ZINC000481235171 561228546 /nfs/dbraw/zinc/22/85/46/561228546.db2.gz KIWLLTWFSZXNBA-UHFFFAOYSA-N 1 0 368.455 2.466 20 30 FEEDRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(C)(C)Oc2ccc(C#N)cc2)C1 ZINC000178298682 546772497 /nfs/dbraw/zinc/77/24/97/546772497.db2.gz XWWGNKLFJIHSLV-GOSISDBHSA-N 1 0 359.470 2.189 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)CCC(=O)Nc2nnc(C(C)C)s2)CC1 ZINC000178537751 546809903 /nfs/dbraw/zinc/80/99/03/546809903.db2.gz VROUGGYHYUGGAQ-UHFFFAOYSA-N 1 0 365.503 2.147 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)NCCc2nnc(-c3ccccc3)o2)CC1 ZINC000178744774 546841497 /nfs/dbraw/zinc/84/14/97/546841497.db2.gz PSMODXGIKFBGOJ-UHFFFAOYSA-N 1 0 355.442 2.229 20 30 FEEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+][C@H](CCCO)c2ccccc2)c1 ZINC000179734075 547005469 /nfs/dbraw/zinc/00/54/69/547005469.db2.gz XUHYXBQUSFOWGW-LJQANCHMSA-N 1 0 358.463 2.435 20 30 FEEDRO C[N@H+](CCCO)C1CCN(C(=O)C(C)(C)Oc2ccc(C#N)cc2)CC1 ZINC000179761233 547009909 /nfs/dbraw/zinc/00/99/09/547009909.db2.gz KSIITOSPRDJOMG-UHFFFAOYSA-N 1 0 359.470 2.021 20 30 FEEDRO C=CCNC(=O)C[NH2+][C@@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000180035889 547042278 /nfs/dbraw/zinc/04/22/78/547042278.db2.gz VKVQQXSYSOVWMT-AWEZNQCLSA-N 1 0 350.484 2.356 20 30 FEEDRO N#CC1(c2ccc(C(=O)NC3CC[NH+](C[C@@H]4CCOC4)CC3)cc2)CC1 ZINC000180438067 547108149 /nfs/dbraw/zinc/10/81/49/547108149.db2.gz KHCBMYGIFYXCJW-INIZCTEOSA-N 1 0 353.466 2.472 20 30 FEEDRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]Cc2ccc(OCC#N)cc2)c1 ZINC000180553073 547129778 /nfs/dbraw/zinc/12/97/78/547129778.db2.gz RTPZBBKPHDDUBV-CQSZACIVSA-N 1 0 359.451 2.348 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)NC[C@H]2COC3(CCCCCC3)O2)CC1 ZINC000180690450 547158867 /nfs/dbraw/zinc/15/88/67/547158867.db2.gz JFPHTAJTLYOBAR-KRWDZBQOSA-N 1 0 351.491 2.402 20 30 FEEDRO CCOc1cccc([C@H](C)[NH2+]CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)c1 ZINC000180698637 547160521 /nfs/dbraw/zinc/16/05/21/547160521.db2.gz VFWCDULMEGAANW-PXNSSMCTSA-N 1 0 372.513 2.428 20 30 FEEDRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)C(=O)Nc1ccc(F)cc1C#N ZINC000180898116 547205159 /nfs/dbraw/zinc/20/51/59/547205159.db2.gz DZQMANXQKBQJAB-CQSZACIVSA-N 1 0 368.412 2.273 20 30 FEEDRO C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+][C@H](CC)c1cccc(S(N)(=O)=O)c1 ZINC000181747635 547373250 /nfs/dbraw/zinc/37/32/50/547373250.db2.gz DVNRNSOGDDVPTO-RHSMWYFYSA-N 1 0 367.515 2.188 20 30 FEEDRO NC(=O)C[C@@H]([NH2+]CC#Cc1ccc(C(F)(F)F)cc1)C1CCOCC1 ZINC000181930229 547407066 /nfs/dbraw/zinc/40/70/66/547407066.db2.gz OMWQGEYMBIBDQR-MRXNPFEDSA-N 1 0 354.372 2.317 20 30 FEEDRO CCN(CC)C(=O)CCC1CC[NH+](CC(=O)N[C@@](C)(C#N)C2CC2)CC1 ZINC000182551140 547511996 /nfs/dbraw/zinc/51/19/96/547511996.db2.gz JICMVAMQVHULMD-FQEVSTJZSA-N 1 0 362.518 2.155 20 30 FEEDRO C=CCSCCNC(=O)NCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000182618032 547522822 /nfs/dbraw/zinc/52/28/22/547522822.db2.gz NNDCZVAGZCGCQG-GOSISDBHSA-N 1 0 363.527 2.362 20 30 FEEDRO C=CC1CC[NH+](CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)CC1 ZINC000182776478 547551110 /nfs/dbraw/zinc/55/11/10/547551110.db2.gz SRVCENKGCQTUGU-HXUWFJFHSA-N 1 0 370.472 2.433 20 30 FEEDRO C=CCC[C@H](O)C[NH+]1CCN(c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000183706491 547704652 /nfs/dbraw/zinc/70/46/52/547704652.db2.gz CLANEHFZALDHMW-INIZCTEOSA-N 1 0 350.459 2.162 20 30 FEEDRO CCO[C@@H]1COCC[C@H]1[NH2+]CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000484615171 561301070 /nfs/dbraw/zinc/30/10/70/561301070.db2.gz LIGCFRSNKDWADL-IAGOWNOFSA-N 1 0 365.861 2.370 20 30 FEEDRO C[NH+]1CCN(c2ncccc2CNc2cc(C#N)ccc2[N+](=O)[O-])CC1 ZINC000183746223 547711421 /nfs/dbraw/zinc/71/14/21/547711421.db2.gz CWUCPPRUUSNKBR-UHFFFAOYSA-N 1 0 352.398 2.225 20 30 FEEDRO CN1CC[NH+](CCC(C)(C)NC(=O)CSc2ccc(C#N)cc2)CC1 ZINC000184169624 547779754 /nfs/dbraw/zinc/77/97/54/547779754.db2.gz ZKBBSKFRIIQRAT-UHFFFAOYSA-N 1 0 360.527 2.183 20 30 FEEDRO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1 ZINC000184328802 547807987 /nfs/dbraw/zinc/80/79/87/547807987.db2.gz NABUWOTYGRSEFG-FXAWDEMLSA-N 1 0 372.513 2.104 20 30 FEEDRO C[NH+](C)CCN(C(=O)Nc1cnn(-c2ncccc2C#N)c1)C1CCCC1 ZINC000184620749 547855367 /nfs/dbraw/zinc/85/53/67/547855367.db2.gz WPHYQONZYSXMDC-UHFFFAOYSA-N 1 0 367.457 2.477 20 30 FEEDRO C[C@@H](CNC(=O)Nc1cnn(-c2ncccc2C#N)c1)[N@@H+]1CCC[C@H](C)C1 ZINC000184621578 547855538 /nfs/dbraw/zinc/85/55/38/547855538.db2.gz LPXCNJZAQVVRME-GJZGRUSLSA-N 1 0 367.457 2.381 20 30 FEEDRO N#Cc1ccc(OC[C@H](O)C[NH+]2CCC(O)(c3ccccc3)CC2)cc1 ZINC000185519748 547997092 /nfs/dbraw/zinc/99/70/92/547997092.db2.gz BDSRQVSAVCHPJH-LJQANCHMSA-N 1 0 352.434 2.282 20 30 FEEDRO COc1cc(C#N)ccc1S(=O)(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000185826414 548040778 /nfs/dbraw/zinc/04/07/78/548040778.db2.gz JNFQSUVCGBEYRS-UHFFFAOYSA-N 1 0 363.483 2.252 20 30 FEEDRO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCC(Cn2cncn2)CC1 ZINC000186264530 548109561 /nfs/dbraw/zinc/10/95/61/548109561.db2.gz BHQGPMZZJPIJGC-KRWDZBQOSA-N 1 0 366.469 2.325 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCSC[C@H]2c2cnn(C)c2)CC1 ZINC000188681276 548285896 /nfs/dbraw/zinc/28/58/96/548285896.db2.gz XYTFEMSEOOZYDK-KRWDZBQOSA-N 1 0 363.531 2.260 20 30 FEEDRO N#Cc1ccc(CN2C(=O)[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2=O)cc1F ZINC000190126801 548317749 /nfs/dbraw/zinc/31/77/49/548317749.db2.gz HKBCVGHDWVTMCS-HDICACEKSA-N 1 0 363.392 2.314 20 30 FEEDRO C[C@H]1CCC[C@H](NC(=O)CN2CCN(CC#Cc3ccccc3)CC2)C1 ZINC000192103081 548359084 /nfs/dbraw/zinc/35/90/84/548359084.db2.gz IJDGRYUSPJZRSI-FPOVZHCZSA-N 1 0 353.510 2.351 20 30 FEEDRO COC(=O)[C@@H]1C[C@H](O)CN1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000193129378 548379870 /nfs/dbraw/zinc/37/98/70/548379870.db2.gz WLDVYCWWSFDEBK-PMACEKPBSA-N 1 0 364.445 2.495 20 30 FEEDRO Cc1nc(C#N)c(N2CCC(C(=O)N(C)CC3([NH+](C)C)CCC3)CC2)o1 ZINC000194086689 548433991 /nfs/dbraw/zinc/43/39/91/548433991.db2.gz ZKPPUDSLSFVYLZ-UHFFFAOYSA-N 1 0 359.474 2.014 20 30 FEEDRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)COc2cc(Cl)cc(C#N)c2)C1 ZINC000487390870 561368949 /nfs/dbraw/zinc/36/89/49/561368949.db2.gz QDKCSFFPAYIEKV-KRWDZBQOSA-N 1 0 365.861 2.063 20 30 FEEDRO N#Cc1ccc(C(=O)N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)s1 ZINC000487684596 561373787 /nfs/dbraw/zinc/37/37/87/561373787.db2.gz GIXUPJIHFYHDOV-UHFFFAOYSA-N 1 0 374.510 2.074 20 30 FEEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@@H]1C[NH2+]CCO1 ZINC000237723288 548847339 /nfs/dbraw/zinc/84/73/39/548847339.db2.gz NSKJQRXWYUYXFK-AWEZNQCLSA-N 1 0 357.223 2.091 20 30 FEEDRO C=CCCC[C@@H](C)NC(=O)C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000487812771 561376403 /nfs/dbraw/zinc/37/64/03/561376403.db2.gz BWJXIFVKNRZHRI-MRXNPFEDSA-N 1 0 357.498 2.063 20 30 FEEDRO N#Cc1ccc2ncc(CN3CCN(Cc4ccccc4)[C@H](C#N)C3)n2c1 ZINC000245508187 548936208 /nfs/dbraw/zinc/93/62/08/548936208.db2.gz RKFWKQWMCYNRSH-LJQANCHMSA-N 1 0 356.433 2.416 20 30 FEEDRO C=CCc1ccc(OC[C@@H](O)CN2CC[N@H+](C)[C@H](C(C)C)C2)c(OC)c1 ZINC000487995897 561380915 /nfs/dbraw/zinc/38/09/15/561380915.db2.gz BFIVFGZIPXPCLE-OALUTQOASA-N 1 0 362.514 2.435 20 30 FEEDRO N#Cc1ccc(OC[C@H](O)C[N@H+](C[C@H]2CCCO2)[C@H]2CCSC2)cc1 ZINC000245587483 548952066 /nfs/dbraw/zinc/95/20/66/548952066.db2.gz FEECUTYPPJRFDG-YQVWRLOYSA-N 1 0 362.495 2.284 20 30 FEEDRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)Nc2cccc(C#N)c2C)CC1=O ZINC000245668562 548970594 /nfs/dbraw/zinc/97/05/94/548970594.db2.gz BSRIZBVBJMJJPE-DLBZAZTESA-N 1 0 354.454 2.138 20 30 FEEDRO C[C@@H](C1CC1)[N@H+](C)CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000245843337 549003142 /nfs/dbraw/zinc/00/31/42/549003142.db2.gz DEEPZBNWZHCSCZ-HNAYVOBHSA-N 1 0 358.461 2.265 20 30 FEEDRO C=CCC[C@@H](O)C[N@@H+]1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000246008912 549035979 /nfs/dbraw/zinc/03/59/79/549035979.db2.gz KOFNPDXQITWDRX-VQTJNVASSA-N 1 0 358.530 2.243 20 30 FEEDRO COc1ccc(CCNC(=[NH2+])N[C@@H]2[C@H]3Cc4ccccc4[C@@H]23)cc1OC ZINC000246061671 549044741 /nfs/dbraw/zinc/04/47/41/549044741.db2.gz RGWQYXROBFJQPY-PWIZWCRZSA-N 1 0 351.450 2.489 20 30 FEEDRO C[C@H](C[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F)[N@@H+]1CCC[C@H](C)C1 ZINC000246464182 549139453 /nfs/dbraw/zinc/13/94/53/549139453.db2.gz GDYLMQWRBGPVNB-NWDGAFQWSA-N 1 0 357.426 2.235 20 30 FEEDRO C[N@@H+](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)C[C@@H]1CCC[C@H]1O ZINC000246551635 549159446 /nfs/dbraw/zinc/15/94/46/549159446.db2.gz LJPLQPYLDRWESM-DOTOQJQBSA-N 1 0 368.399 2.266 20 30 FEEDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)NCc2cccc(C#N)c2)[C@@H](C)C1 ZINC000247249368 549306114 /nfs/dbraw/zinc/30/61/14/549306114.db2.gz PJDHTXYVLAUOQL-LPHOPBHVSA-N 1 0 358.486 2.494 20 30 FEEDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)NCc2ccc(C#N)cc2)[C@@H](C)C1 ZINC000247318878 549317437 /nfs/dbraw/zinc/31/74/37/549317437.db2.gz WWRDHAMQQFVXAS-QFBILLFUSA-N 1 0 358.486 2.494 20 30 FEEDRO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)N2CCN(c3cccc(F)c3C#N)CC2)C1 ZINC000247368040 549324508 /nfs/dbraw/zinc/32/45/08/549324508.db2.gz OYUGQTIYALVJKN-MAUKXSAKSA-N 1 0 373.476 2.258 20 30 FEEDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)Nc3ccc(C#N)c(Cl)c3)CC[C@H]21 ZINC000248149404 549412255 /nfs/dbraw/zinc/41/22/55/549412255.db2.gz QOLRVEYUAKOUMD-CZUORRHYSA-N 1 0 360.845 2.093 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000248911683 549526869 /nfs/dbraw/zinc/52/68/69/549526869.db2.gz VMCGXOOGSQPKNF-FXAWDEMLSA-N 1 0 356.514 2.457 20 30 FEEDRO CCOCCC[N@@H+]1CC[C@@H](NCC(=O)NC2(C#N)CCCCC2)[C@@H](C)C1 ZINC000249455830 549593240 /nfs/dbraw/zinc/59/32/40/549593240.db2.gz PMTPLFHHRGRTDD-ZWKOTPCHSA-N 1 0 364.534 2.056 20 30 FEEDRO C[N@@H+]1CCN(C[C@@H](O)COc2ccc(C#N)cc2)[C@H](c2ccccc2)C1 ZINC000249813917 549630365 /nfs/dbraw/zinc/63/03/65/549630365.db2.gz JQCOBZZZVHTLHV-CTNGQTDRSA-N 1 0 351.450 2.287 20 30 FEEDRO C=CCOc1cccc(NC(=O)C(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000250230369 549640797 /nfs/dbraw/zinc/64/07/97/549640797.db2.gz IZFADYPCIWRGJU-HZPDHXFCSA-N 1 0 359.470 2.427 20 30 FEEDRO C[C@H](C(=O)N1CCCCC1)[N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000253378264 549684725 /nfs/dbraw/zinc/68/47/25/549684725.db2.gz ZUMJDVBNIYCNSM-GOSISDBHSA-N 1 0 354.498 2.467 20 30 FEEDRO C[NH+]=C(NC[C@@H]1CCOC1)N[C@H]1CCN(c2cc(Cl)ccc2OC)C1 ZINC000261610673 549734109 /nfs/dbraw/zinc/73/41/09/549734109.db2.gz ARFGQNXDVHSCSW-ZFWWWQNUSA-N 1 0 366.893 2.129 20 30 FEEDRO C=CCNS(=O)(=O)c1cc(-c2nc(C3([NH3+])CCCC3)no2)ccc1F ZINC000261830906 549760598 /nfs/dbraw/zinc/76/05/98/549760598.db2.gz RDYXRMDUZTUZDQ-UHFFFAOYSA-N 1 0 366.418 2.068 20 30 FEEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@H]([NH3+])C2CCOCC2)cc1 ZINC000261879685 549765135 /nfs/dbraw/zinc/76/51/35/549765135.db2.gz ULJAOUAKSDEBBH-GOSISDBHSA-N 1 0 357.454 2.193 20 30 FEEDRO C[NH+]=C(NCc1coc(-c2ccc(C)cc2)n1)N1CCO[C@@H](COC)C1 ZINC000261958715 549774609 /nfs/dbraw/zinc/77/46/09/549774609.db2.gz OZMHJCAKPWUCQQ-QGZVFWFLSA-N 1 0 358.442 2.073 20 30 FEEDRO C=CCN(C(=O)[C@H]1CC12CC[NH2+]CC2)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000261980938 549776338 /nfs/dbraw/zinc/77/63/38/549776338.db2.gz WIMXLFNERYPWHD-CRAIPNDOSA-N 1 0 366.469 2.128 20 30 FEEDRO C[NH+]=C(NCCn1cncn1)N[C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000261995570 549777864 /nfs/dbraw/zinc/77/78/64/549777864.db2.gz SHQFBYGJAZLWDI-INIZCTEOSA-N 1 0 354.458 2.280 20 30 FEEDRO O=S1(=O)CC[C@H](CNC(NCc2ccsc2)=[NH+]C2CCCC2)C1 ZINC000262366554 549814995 /nfs/dbraw/zinc/81/49/95/549814995.db2.gz HUYXYKSBPFROGX-CQSZACIVSA-N 1 0 355.529 2.161 20 30 FEEDRO Cc1nc(C(=O)N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)ccc1C#N ZINC000263725072 549926540 /nfs/dbraw/zinc/92/65/40/549926540.db2.gz FGISTZFYSHJDNU-GASCZTMLSA-N 1 0 356.470 2.223 20 30 FEEDRO C=C(C)C[N@@H+](CC)[C@H](C)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F ZINC000263735401 549928672 /nfs/dbraw/zinc/92/86/72/549928672.db2.gz FTWBXKQWPCXIOC-LLVKDONJSA-N 1 0 357.376 2.445 20 30 FEEDRO C[NH+]=C(NCc1ccco1)NCc1cccc(CN2CCO[C@@H](C)C2)c1 ZINC000264040314 549971654 /nfs/dbraw/zinc/97/16/54/549971654.db2.gz IIMIPRPEBUMDIR-INIZCTEOSA-N 1 0 356.470 2.366 20 30 FEEDRO COc1ccc(CNC(=[NH2+])NCCc2ccc3c(c2)OCCO3)cc1OC ZINC000264062332 549974267 /nfs/dbraw/zinc/97/42/67/549974267.db2.gz DEUCLRRYWCDCNP-UHFFFAOYSA-N 1 0 371.437 2.122 20 30 FEEDRO COc1ccc(NC(=[NH2+])NCCNC(=O)c2cccc(C)c2)cc1OC ZINC000264071203 549975356 /nfs/dbraw/zinc/97/53/56/549975356.db2.gz DINPIQIHVLBBLV-UHFFFAOYSA-N 1 0 356.426 2.169 20 30 FEEDRO CCCOCc1ccccc1CNC(=[NH2+])N1CCN(c2ncccn2)CC1 ZINC000264074774 549975504 /nfs/dbraw/zinc/97/55/04/549975504.db2.gz FKBXGUSHPWRHFI-UHFFFAOYSA-N 1 0 368.485 2.040 20 30 FEEDRO COc1ccc(CNC(=[NH2+])NC[C@@H](c2ccsc2)N(C)C)cc1OC ZINC000264099819 549979034 /nfs/dbraw/zinc/97/90/34/549979034.db2.gz NSKRTMBFWQSZEQ-HNNXBMFYSA-N 1 0 362.499 2.473 20 30 FEEDRO CCOC(=O)c1ccc(CNC(=[NH2+])NCc2ccc(OC)c(OC)c2)cc1 ZINC000264133254 549983148 /nfs/dbraw/zinc/98/31/48/549983148.db2.gz YQUWPWMAZXVOSX-UHFFFAOYSA-N 1 0 371.437 2.485 20 30 FEEDRO CCc1cccc(CC)c1NC(=[NH2+])NCc1cccc(S(N)(=O)=O)c1 ZINC000264135272 549983418 /nfs/dbraw/zinc/98/34/18/549983418.db2.gz ZGVDJFZRSYAZKE-UHFFFAOYSA-N 1 0 360.483 2.386 20 30 FEEDRO COc1ccc(CCNC(=[NH2+])NCc2ccc(OC)c(OC)c2)cc1OC ZINC000264139070 549983826 /nfs/dbraw/zinc/98/38/26/549983826.db2.gz WAMXRDLVRDZJQV-UHFFFAOYSA-N 1 0 373.453 2.368 20 30 FEEDRO CCS(=O)(=O)CCNC(=[NH2+])N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000264244835 549993283 /nfs/dbraw/zinc/99/32/83/549993283.db2.gz FRKNOIJABZTBLU-VIFPVBQESA-N 1 0 352.287 2.393 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)Nc2ccc([C@H](C)N3CCOCC3)cc2)CC1 ZINC000264491245 549996443 /nfs/dbraw/zinc/99/64/43/549996443.db2.gz WLYXKZYFWGVBAW-KRWDZBQOSA-N 1 0 355.482 2.364 20 30 FEEDRO CNC(=O)[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)C1 ZINC000264735115 550000169 /nfs/dbraw/zinc/00/01/69/550000169.db2.gz QIEOVSIBOGYLBF-DLBZAZTESA-N 1 0 356.470 2.088 20 30 FEEDRO N#CCCN(CCC#N)C(=O)C[N@@H+](CCCO)[C@@H]1CCc2ccccc21 ZINC000265041399 550005292 /nfs/dbraw/zinc/00/52/92/550005292.db2.gz NIDASMIFYIMUQC-LJQANCHMSA-N 1 0 354.454 2.014 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N2CCN(c3cccc(F)c3F)CC2)CC1 ZINC000265289416 550007905 /nfs/dbraw/zinc/00/79/05/550007905.db2.gz YCWLZMXBJBRTLS-UHFFFAOYSA-N 1 0 364.440 2.447 20 30 FEEDRO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCC[C@@H](CC(N)=O)C1 ZINC000266925899 550026023 /nfs/dbraw/zinc/02/60/23/550026023.db2.gz KAFHQEKRDXAENB-GJZGRUSLSA-N 1 0 360.433 2.048 20 30 FEEDRO CN(Cc1ccc(F)cc1)C(=O)CON=C(N)c1ccc(C[NH+](C)C)cc1 ZINC000267018012 550026324 /nfs/dbraw/zinc/02/63/24/550026324.db2.gz PQXFNYSSAMBZBI-UHFFFAOYSA-N 1 0 372.444 2.183 20 30 FEEDRO COC[C@H](C)NC(=[NH2+])NCCOc1ncc(C(F)(F)F)cc1Cl ZINC000267417842 550031081 /nfs/dbraw/zinc/03/10/81/550031081.db2.gz JQESBKXFPMGBHR-QMMMGPOBSA-N 1 0 354.760 2.072 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N2CCC[C@@H](c3noc(C4CC4)n3)C2)CC1 ZINC000268067226 550037309 /nfs/dbraw/zinc/03/73/09/550037309.db2.gz VLTYBCXOQWJVMS-OAHLLOKOSA-N 1 0 359.474 2.486 20 30 FEEDRO CN([C@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000268538314 550084202 /nfs/dbraw/zinc/08/42/02/550084202.db2.gz JZPQVJVSGSBGPL-SFHVURJKSA-N 1 0 355.463 2.453 20 30 FEEDRO CN(CC(=O)NCc1ccc(C#N)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000268539984 550084631 /nfs/dbraw/zinc/08/46/31/550084631.db2.gz KKBWZIQBDPJDIC-OAQYLSRUSA-N 1 0 362.477 2.381 20 30 FEEDRO O=C(NCC#Cc1ccccc1)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000268948784 550135961 /nfs/dbraw/zinc/13/59/61/550135961.db2.gz CFDDVZWELMPSMW-UXHICEINSA-N 1 0 355.482 2.105 20 30 FEEDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(C#N)cc2Cl)C1 ZINC000269058284 550150138 /nfs/dbraw/zinc/15/01/38/550150138.db2.gz ANQXCYBLPKXMBY-AWEZNQCLSA-N 1 0 362.861 2.340 20 30 FEEDRO CC(C)C[C@@H](C[NH+](C)C)NC(=O)C(=O)Nc1ccc(C#N)cc1Cl ZINC000269072345 550151217 /nfs/dbraw/zinc/15/12/17/550151217.db2.gz FSGNQOFSWRUELI-ZDUSSCGKSA-N 1 0 350.850 2.243 20 30 FEEDRO Cc1cc(C#N)ccc1C(=O)N[C@@H](C)CN1CCN(c2ccccn2)CC1 ZINC000269692703 550217573 /nfs/dbraw/zinc/21/75/73/550217573.db2.gz KLGVZJQXDJVXIG-KRWDZBQOSA-N 1 0 363.465 2.202 20 30 FEEDRO C=CCOc1cccc(NC(=O)C(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)c1 ZINC000270289856 550259752 /nfs/dbraw/zinc/25/97/52/550259752.db2.gz YPUQVADUUOHVFA-QGZVFWFLSA-N 1 0 371.481 2.380 20 30 FEEDRO C=CCCOCCNC(=O)NC[C@H](c1ccc(OC)c(OC)c1)[NH+](C)C ZINC000270418878 550270979 /nfs/dbraw/zinc/27/09/79/550270979.db2.gz MRAYRYRSZAQRFD-MRXNPFEDSA-N 1 0 365.474 2.198 20 30 FEEDRO C[C@@](C#N)(NC(=O)C[N@@H+]1CCC[C@H]1Cn1cnc2ccccc21)C1CC1 ZINC000270439277 550272596 /nfs/dbraw/zinc/27/25/96/550272596.db2.gz JKUXVLVKVWNSHT-JXFKEZNVSA-N 1 0 351.454 2.309 20 30 FEEDRO Cc1cc(C#N)ccc1C(=O)N1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000270965457 550326530 /nfs/dbraw/zinc/32/65/30/550326530.db2.gz VNPXCPZXHMGIDZ-UHFFFAOYSA-N 1 0 354.498 2.497 20 30 FEEDRO CS(=O)(=O)c1ccc([C@@H](O)C[NH2+]C2(c3cccc(C#N)c3)CC2)cc1 ZINC000271802407 550402919 /nfs/dbraw/zinc/40/29/19/550402919.db2.gz PGCGLMWNXYACAW-SFHVURJKSA-N 1 0 356.447 2.274 20 30 FEEDRO C[C@@H]([NH2+]CCCN1CCC[C@@H]1C(=O)N(C)C)c1ccc(OCC#N)cc1 ZINC000271810867 550403368 /nfs/dbraw/zinc/40/33/68/550403368.db2.gz AQGFYSOOLXWGGY-VQIMIIECSA-N 1 0 358.486 2.182 20 30 FEEDRO COc1cc(/C=C/C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)ccc1OCC#N ZINC000272578297 550458917 /nfs/dbraw/zinc/45/89/17/550458917.db2.gz WAHMMYQRICCEHN-XQTSXYSPSA-N 1 0 355.438 2.163 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N2CCc3c(ncn3-c3ccc(F)cc3)C2)CC1 ZINC000272707743 550466205 /nfs/dbraw/zinc/46/62/05/550466205.db2.gz GYNZADRPUUMXNG-UHFFFAOYSA-N 1 0 366.440 2.241 20 30 FEEDRO C[C@@H](NC(=O)CCCC(=O)Nc1ccccc1C#N)C1=CC[N@H+](C)CC1 ZINC000272757938 550469320 /nfs/dbraw/zinc/46/93/20/550469320.db2.gz FQAZPRMHFYHXFV-OAHLLOKOSA-N 1 0 354.454 2.434 20 30 FEEDRO C=CCS(=O)(=O)CCNC(=O)c1ccc(C[N@@H+](CC)CCC)cc1 ZINC000272926715 550477185 /nfs/dbraw/zinc/47/71/85/550477185.db2.gz YWZNVJZTCDVHOL-UHFFFAOYSA-N 1 0 352.500 2.249 20 30 FEEDRO COCCOc1ccc(C#N)cc1NC(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000273072519 550483775 /nfs/dbraw/zinc/48/37/75/550483775.db2.gz AFUKHNABMQHALL-RDJZCZTQSA-N 1 0 358.442 2.332 20 30 FEEDRO COCCOc1ccc(C#N)cc1NC(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000273241880 550491155 /nfs/dbraw/zinc/49/11/55/550491155.db2.gz WVWOHXFBYCNBCQ-WBVHZDCISA-N 1 0 358.442 2.141 20 30 FEEDRO C[C@H](CNC(=[NH2+])N1CCN(C(=O)OC(C)(C)C)CC1)c1nccs1 ZINC000273348367 550495354 /nfs/dbraw/zinc/49/53/54/550495354.db2.gz AOABWNZGAJAHQB-GFCCVEGCSA-N 1 0 353.492 2.114 20 30 FEEDRO N#Cc1ccc(-c2nc(-c3ccccc3C[N@H+]3CCC[C@@H]3C(N)=O)no2)[nH]1 ZINC000273926921 550515819 /nfs/dbraw/zinc/51/58/19/550515819.db2.gz RASHVRZDXXLONZ-MRXNPFEDSA-N 1 0 362.393 2.053 20 30 FEEDRO COC(=O)COc1ccc([C@@H](C)[NH2+]CC(=O)NC2(C#N)CCCCC2)cc1 ZINC000274428684 550537325 /nfs/dbraw/zinc/53/73/25/550537325.db2.gz GIDLJHJRXLVCOR-OAHLLOKOSA-N 1 0 373.453 2.232 20 30 FEEDRO CO/N=C(/C(=O)N1CC[C@H](n2c(C)[nH+]c3c2CCCC3)C1)c1ccco1 ZINC000275240540 550571144 /nfs/dbraw/zinc/57/11/44/550571144.db2.gz FZLWICUOUPSORE-IKRFMFEDSA-N 1 0 356.426 2.487 20 30 FEEDRO O=C(C[N@@H+](CCO)C1CCC1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000275865089 550574816 /nfs/dbraw/zinc/57/48/16/550574816.db2.gz NFZNMBKYTBKSOV-UHFFFAOYSA-N 1 0 354.372 2.020 20 30 FEEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000275876255 550575216 /nfs/dbraw/zinc/57/52/16/550575216.db2.gz QKVHFLWTXKKTAJ-AWEZNQCLSA-N 1 0 374.510 2.477 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1cnc(OCc2ccccc2)cn1 ZINC000277124933 550634572 /nfs/dbraw/zinc/63/45/72/550634572.db2.gz SNMVPXXPATXBAA-UHFFFAOYSA-N 1 0 367.453 2.363 20 30 FEEDRO C[C@@H](C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)N(C)CC(F)(F)F ZINC000277279015 550651139 /nfs/dbraw/zinc/65/11/39/550651139.db2.gz CCGQZQGCIMAHCP-AWEZNQCLSA-N 1 0 370.419 2.331 20 30 FEEDRO C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000277626614 550693693 /nfs/dbraw/zinc/69/36/93/550693693.db2.gz ZMZBRHAGNHPFAL-HOCLYGCPSA-N 1 0 370.453 2.049 20 30 FEEDRO CCOC(=O)c1n[nH]c(C2CC[NH+](CCOc3ccccc3C#N)CC2)n1 ZINC000277666284 550698634 /nfs/dbraw/zinc/69/86/34/550698634.db2.gz FIFKIRUPKUDKTK-UHFFFAOYSA-N 1 0 369.425 2.111 20 30 FEEDRO C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000278658738 550808854 /nfs/dbraw/zinc/80/88/54/550808854.db2.gz NAOGVPADJMANMG-CVEARBPZSA-N 1 0 356.470 2.070 20 30 FEEDRO C[NH+](C)C1(CNC(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)CCCC1 ZINC000278870958 550831074 /nfs/dbraw/zinc/83/10/74/550831074.db2.gz MALVKHRKGYZSDG-UHFFFAOYSA-N 1 0 359.474 2.044 20 30 FEEDRO C[N@@H+]1CC[C@@H]2CCN(Cc3cn(CCC#N)nc3-c3ccncc3)[C@H]2C1 ZINC000279411100 550887214 /nfs/dbraw/zinc/88/72/14/550887214.db2.gz NVHOSNFTLMBHIF-APWZRJJASA-N 1 0 350.470 2.385 20 30 FEEDRO N#CCCn1ccc(NC(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)n1 ZINC000279532999 550900300 /nfs/dbraw/zinc/90/03/00/550900300.db2.gz WDANHADYYQGIRC-HDICACEKSA-N 1 0 364.453 2.392 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)NCc1ccc(C)n(C)c1=O)C(C)C ZINC000279594212 550906551 /nfs/dbraw/zinc/90/65/51/550906551.db2.gz VPOCEQDSYTTWLE-SFHVURJKSA-N 1 0 360.502 2.192 20 30 FEEDRO Cn1nccc1CN1C[C@@H](F)C[C@H]1C[N@H+](C)CCOc1cccc(C#N)c1 ZINC000279778559 550927841 /nfs/dbraw/zinc/92/78/41/550927841.db2.gz UAYIJTQFKPGTAO-HKUYNNGSSA-N 1 0 371.460 2.215 20 30 FEEDRO C[C@H](NC(=[NH2+])NCC(=O)NCC(F)F)c1ccc(Cl)cc1Cl ZINC000280007598 550951891 /nfs/dbraw/zinc/95/18/91/550951891.db2.gz INDRFHQNBKUECW-ZETCQYMHSA-N 1 0 353.200 2.340 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Cn1c2ccccc2n(C)c1=O)C(C)C ZINC000496029962 561491835 /nfs/dbraw/zinc/49/18/35/561491835.db2.gz SGMNMJLJNSLJDZ-LJQANCHMSA-N 1 0 370.497 2.155 20 30 FEEDRO C[N@H+](CCC(=O)Nc1ccc(C#N)cc1)[C@H](CC(N)=O)c1ccccc1 ZINC000280642888 551016855 /nfs/dbraw/zinc/01/68/55/551016855.db2.gz YJWFJMDJEWEBPZ-GOSISDBHSA-N 1 0 350.422 2.435 20 30 FEEDRO C=CCN1CC[C@@H](N(C)C(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1=O ZINC000281122917 551066064 /nfs/dbraw/zinc/06/60/64/551066064.db2.gz BKVCOPAHMUZKNA-RTBURBONSA-N 1 0 355.482 2.144 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000281162843 551069481 /nfs/dbraw/zinc/06/94/81/551069481.db2.gz ZVFNKKJGEJZBOC-RLLQIKCJSA-N 1 0 373.497 2.034 20 30 FEEDRO C=CCN1CC[C@H]([N@@H+](C)CCC(=O)Nc2ccc(OC)c(Cl)c2)C1=O ZINC000281382162 551090290 /nfs/dbraw/zinc/09/02/90/551090290.db2.gz PGEPIPJUYAREMT-HNNXBMFYSA-N 1 0 365.861 2.396 20 30 FEEDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)COc3ccccc3)C2)cc1C#N ZINC000282951333 551288875 /nfs/dbraw/zinc/28/88/75/551288875.db2.gz JRRWTDQMWBCYJQ-SFHVURJKSA-N 1 0 365.433 2.336 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)NCC(=O)N(C)C2CCCCC2)CC1 ZINC000497625332 561505029 /nfs/dbraw/zinc/50/50/29/561505029.db2.gz ZGNFIGHDGAXZAC-UHFFFAOYSA-N 1 0 350.507 2.117 20 30 FEEDRO C[C@H](CC#N)N(C)S(=O)(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000282992117 551294712 /nfs/dbraw/zinc/29/47/12/551294712.db2.gz NASLPEOTRPHUDX-CABCVRRESA-N 1 0 370.544 2.028 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCc2ccccc2OC(C)C)CC1 ZINC000283436183 551365894 /nfs/dbraw/zinc/36/58/94/551365894.db2.gz BWJUANTXEOEWEB-UHFFFAOYSA-N 1 0 373.497 2.247 20 30 FEEDRO CN1CC[C@H]([NH2+]CC(=O)N[C@@](C)(C#N)C2CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000283650449 551403344 /nfs/dbraw/zinc/40/33/44/551403344.db2.gz BDRSFFSLBMTWDL-WDSOQIARSA-N 1 0 362.424 2.108 20 30 FEEDRO C=C(C)Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC000283712402 551414382 /nfs/dbraw/zinc/41/43/82/551414382.db2.gz WMGJTIWSDGDZSE-INIZCTEOSA-N 1 0 362.522 2.161 20 30 FEEDRO CC(C)N(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000283803059 551429604 /nfs/dbraw/zinc/42/96/04/551429604.db2.gz AVFGNDMHUXLFHO-OALUTQOASA-N 1 0 368.481 2.038 20 30 FEEDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)C(=O)NCc2cccc(C#N)c2)C1 ZINC000284164355 551495731 /nfs/dbraw/zinc/49/57/31/551495731.db2.gz YHMFKTRSRCJIPU-IAGOWNOFSA-N 1 0 370.497 2.049 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N[C@H](CC)c1ccncc1)C(C)C ZINC000284179652 551499131 /nfs/dbraw/zinc/49/91/31/551499131.db2.gz UWRGCDZORKJKFW-RTBURBONSA-N 1 0 372.513 2.464 20 30 FEEDRO CN(C)c1ncccc1NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 ZINC000498373965 561523548 /nfs/dbraw/zinc/52/35/48/561523548.db2.gz KJQGAZDMPKENRP-UHFFFAOYSA-N 1 0 372.450 2.477 20 30 FEEDRO C[N@H+](Cc1ccccc1)C1CN(C(=O)NCCOc2ccc(C#N)cc2)C1 ZINC000498391298 561523993 /nfs/dbraw/zinc/52/39/93/561523993.db2.gz LOCLSYMSNHJQSQ-UHFFFAOYSA-N 1 0 364.449 2.463 20 30 FEEDRO Cn1nccc1[C@H]1[C@H](CNC(=O)c2c(F)cc(C#N)cc2F)CCC[N@@H+]1C ZINC000285093999 551703618 /nfs/dbraw/zinc/70/36/18/551703618.db2.gz DQKPOYNXUAIALP-SCLBCKFNSA-N 1 0 373.407 2.383 20 30 FEEDRO C[C@@H]1CC[N@H+](C)CCN1C(=O)CCC(=O)N(CCC#N)c1ccccc1 ZINC000498711979 561532510 /nfs/dbraw/zinc/53/25/10/561532510.db2.gz WBPOEVGUHAAYQI-QGZVFWFLSA-N 1 0 356.470 2.266 20 30 FEEDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000285221433 551722664 /nfs/dbraw/zinc/72/26/64/551722664.db2.gz FIDJMXLIZBCUPR-WFASDCNBSA-N 1 0 353.875 2.459 20 30 FEEDRO CCN(CC#N)C(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1c1cnn(C)c1 ZINC000285274436 551730505 /nfs/dbraw/zinc/73/05/05/551730505.db2.gz SWELOLHQPDKSHS-MOPGFXCFSA-N 1 0 351.454 2.008 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)c2cc(Br)c(=O)[nH]c2C)CC1 ZINC000285291851 551733226 /nfs/dbraw/zinc/73/32/26/551733226.db2.gz GKBSSCBZIYWWHP-UHFFFAOYSA-N 1 0 354.248 2.238 20 30 FEEDRO CN(CCC#N)C(=O)CC[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000285651239 551789737 /nfs/dbraw/zinc/78/97/37/551789737.db2.gz ZZEYYCLPZBMVAD-UHFFFAOYSA-N 1 0 358.417 2.303 20 30 FEEDRO C=CCN(CCc1ccco1)C(=O)C(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000285743393 551804336 /nfs/dbraw/zinc/80/43/36/551804336.db2.gz FGBBGRMFAVDODV-KRWDZBQOSA-N 1 0 361.486 2.073 20 30 FEEDRO CCN(C[C@H](C)C#N)C(=O)CN(C)CCc1nc(-c2ccccc2)no1 ZINC000286157413 551855258 /nfs/dbraw/zinc/85/52/58/551855258.db2.gz WDKZATHJAQCIAP-OAHLLOKOSA-N 1 0 355.442 2.219 20 30 FEEDRO COCC[NH+](CCOC)C1CCN(C(=O)/C=C/c2ccccc2C#N)CC1 ZINC000286275765 551868352 /nfs/dbraw/zinc/86/83/52/551868352.db2.gz OOLIZPFAUNAFED-BQYQJAHWSA-N 1 0 371.481 2.157 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H](c3ccccc3C)C2)CC1 ZINC000286420280 551884648 /nfs/dbraw/zinc/88/46/48/551884648.db2.gz FVKXYLDRGYFZRE-QGZVFWFLSA-N 1 0 355.482 2.078 20 30 FEEDRO COCC[NH+](CCOC)C1CCN(C(=O)/C=C/c2ccc(C#N)cc2)CC1 ZINC000286446450 551886387 /nfs/dbraw/zinc/88/63/87/551886387.db2.gz YGLKBGFGRVSDTA-BQYQJAHWSA-N 1 0 371.481 2.157 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N2CCCC[C@@H]2Cc2ccccc2)CC1 ZINC000286487597 551891533 /nfs/dbraw/zinc/89/15/33/551891533.db2.gz JQMQSOCRCKWGES-HXUWFJFHSA-N 1 0 369.509 2.377 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N2C[C@H](c3ccccc3C)C[C@H]2C)CC1 ZINC000286754239 551922335 /nfs/dbraw/zinc/92/23/35/551922335.db2.gz SVPYGRURMCVSCQ-QZTJIDSGSA-N 1 0 369.509 2.466 20 30 FEEDRO COc1cc(C#N)ccc1OCC[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H](CO)C1 ZINC000286763694 551923659 /nfs/dbraw/zinc/92/36/59/551923659.db2.gz ZLSMNACPJAEINK-ZIAGYGMSSA-N 1 0 358.360 2.438 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2CCC[N@H+](CC3CCCCC3)CC2)o1 ZINC000286781196 551925019 /nfs/dbraw/zinc/92/50/19/551925019.db2.gz XCIFUKPUMZYMMA-UHFFFAOYSA-N 1 0 351.472 2.428 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCC[C@H]2Cc2ccccc2)CC1 ZINC000286837693 551931869 /nfs/dbraw/zinc/93/18/69/551931869.db2.gz XVXBESZHYHWTDG-ICSRJNTNSA-N 1 0 369.509 2.281 20 30 FEEDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(S(=O)(=O)c2ccc(C#N)o2)C1 ZINC000286844516 551932724 /nfs/dbraw/zinc/93/27/24/551932724.db2.gz KPAJVGKCZPTHOM-GJZGRUSLSA-N 1 0 351.472 2.426 20 30 FEEDRO N#Cc1ccc(NC(=O)NCCCN2CCOCC2)cc1Br ZINC000287126521 551966834 /nfs/dbraw/zinc/96/68/34/551966834.db2.gz GKWYGFCWPNJRBJ-UHFFFAOYSA-N 1 0 367.247 2.165 20 30 FEEDRO C#CCCCCNC(=O)N1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000287191558 551974637 /nfs/dbraw/zinc/97/46/37/551974637.db2.gz UGVADTFKVNKSLQ-OAQYLSRUSA-N 1 0 368.525 2.392 20 30 FEEDRO C=CCN(CCc1ccccc1)C(=O)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000287375678 551996363 /nfs/dbraw/zinc/99/63/63/551996363.db2.gz ZUSNSGVKYJIDSZ-RBUKOAKNSA-N 1 0 357.498 2.233 20 30 FEEDRO C#CCN(Cc1ccccc1)C(=O)NC[C@@H](C)C[NH+]1CCN(CC)CC1 ZINC000287397451 551998761 /nfs/dbraw/zinc/99/87/61/551998761.db2.gz IXTJORBPKLVRNM-LJQANCHMSA-N 1 0 356.514 2.105 20 30 FEEDRO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1C[C@@H](O)Cc1cccc(Cl)c1 ZINC000287812645 552049817 /nfs/dbraw/zinc/04/98/17/552049817.db2.gz PHFKCAIBBXRNAB-YOEHRIQHSA-N 1 0 371.872 2.116 20 30 FEEDRO CC[N@H+](Cc1ccc(C(=O)N2CCN(C(=O)CC#N)CC2)cc1)C(C)C ZINC000288005764 552074054 /nfs/dbraw/zinc/07/40/54/552074054.db2.gz BCOGEBRCIZUTSC-UHFFFAOYSA-N 1 0 356.470 2.115 20 30 FEEDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)C(=O)Nc1ccc(C#N)cc1Cl ZINC000288312200 552131163 /nfs/dbraw/zinc/13/11/63/552131163.db2.gz WYENTHFHBDLSLO-WBMJQRKESA-N 1 0 360.845 2.235 20 30 FEEDRO N#Cc1ccc(N2CC[C@H](C(=O)N3CC[NH+](C4CCC4)CC3)C2)c(F)c1 ZINC000288373865 552142583 /nfs/dbraw/zinc/14/25/83/552142583.db2.gz JYIQHVPUUGVZMP-INIZCTEOSA-N 1 0 356.445 2.220 20 30 FEEDRO CC[N@@H+]1CCN(C(=O)CCC(=O)N(CCC#N)c2ccccc2)[C@H](C)C1 ZINC000288519592 552168143 /nfs/dbraw/zinc/16/81/43/552168143.db2.gz REERNKCYCHIJAA-QGZVFWFLSA-N 1 0 356.470 2.266 20 30 FEEDRO C=CCN1CC[C@H]([N@H+](C)C[C@H](O)COc2cc(Cl)ccc2Cl)C1=O ZINC000499994853 561563585 /nfs/dbraw/zinc/56/35/85/561563585.db2.gz HTQLGYQRSVKSLA-ZFWWWQNUSA-N 1 0 373.280 2.452 20 30 FEEDRO CCCC[N@H+](C)C[C@H](C)NC(=O)C(=O)Nc1ccccc1O[C@@H](C)C#N ZINC000288866299 552227184 /nfs/dbraw/zinc/22/71/84/552227184.db2.gz QHBLISDHOJDMJX-GJZGRUSLSA-N 1 0 360.458 2.153 20 30 FEEDRO C=C(C)CN(CC)C(=O)C(=O)N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000289227570 552285724 /nfs/dbraw/zinc/28/57/24/552285724.db2.gz SZRNUSRDJJAWQM-IEBWSBKVSA-N 1 0 357.498 2.438 20 30 FEEDRO CCS[C@H]1CCCC[C@H]1[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000289630858 552352368 /nfs/dbraw/zinc/35/23/68/552352368.db2.gz BNXLKPPRAUBLES-CABCVRRESA-N 1 0 353.513 2.381 20 30 FEEDRO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2S(=O)(=O)c1cncc(C#N)c1 ZINC000289648376 552355780 /nfs/dbraw/zinc/35/57/80/552355780.db2.gz GCEGNJHNCXZHOS-IEBWSBKVSA-N 1 0 368.462 2.258 20 30 FEEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1c2ccccc2CC12CCOCC2 ZINC000290146760 552434604 /nfs/dbraw/zinc/43/46/04/552434604.db2.gz NFDYJSNDNWLKRE-RHSMWYFYSA-N 1 0 357.454 2.071 20 30 FEEDRO C#C[C@@H]([NH2+]Cc1ccc(OCC(=O)N2CCOCC2)c(OC)c1)C(C)(C)C ZINC000290253088 552448533 /nfs/dbraw/zinc/44/85/33/552448533.db2.gz VWVGYTCGVHBJNN-LJQANCHMSA-N 1 0 374.481 2.070 20 30 FEEDRO C#Cc1ccccc1CC(=O)NCc1ccncc1OCCC[NH+](C)C ZINC000290618458 552507809 /nfs/dbraw/zinc/50/78/09/552507809.db2.gz KRZZUQGEXVUVFR-UHFFFAOYSA-N 1 0 351.450 2.252 20 30 FEEDRO C[C@@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1ccc(Br)nc1 ZINC000290856563 552550772 /nfs/dbraw/zinc/55/07/72/552550772.db2.gz ZXEIWDOGKVVBLC-ZEIZSXSISA-N 1 0 365.231 2.021 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](C)c2noc(COC(C)C)n2)CC1 ZINC000290869712 552553031 /nfs/dbraw/zinc/55/30/31/552553031.db2.gz RJXGKBYEOPCRPJ-AWEZNQCLSA-N 1 0 365.478 2.395 20 30 FEEDRO N#Cc1cncc(S(=O)(=O)N2C[C@@H]3CCC[N@@H+]3Cc3ccccc32)c1 ZINC000290999034 552574166 /nfs/dbraw/zinc/57/41/66/552574166.db2.gz UULFWGOJRIGQFL-INIZCTEOSA-N 1 0 354.435 2.127 20 30 FEEDRO Cc1nsc(N2CCN(C(=O)c3ccc(C[NH+](C)C)cc3)CC2)c1C#N ZINC000291020682 552577221 /nfs/dbraw/zinc/57/72/21/552577221.db2.gz DIOOBHIHXCNSHB-UHFFFAOYSA-N 1 0 369.494 2.347 20 30 FEEDRO CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@H](C)c1ccc(N2CCCNC2=O)cc1 ZINC000291192895 552598278 /nfs/dbraw/zinc/59/82/78/552598278.db2.gz JAGWMKYJIAHBMM-FOIQADDNSA-N 1 0 371.485 2.311 20 30 FEEDRO C[C@H]([NH2+]CC(=O)N[C@](C)(C#N)C1CC1)c1ccc(N2CCCNC2=O)cc1 ZINC000291363547 552618771 /nfs/dbraw/zinc/61/87/71/552618771.db2.gz ZCHQLMPPFHDENG-VBKZILBWSA-N 1 0 369.469 2.065 20 30 FEEDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)CCc1c(C)nc2c(C#N)cnn2c1C ZINC000291530394 552634463 /nfs/dbraw/zinc/63/44/63/552634463.db2.gz KPNBHGQHVSLOMW-CQSZACIVSA-N 1 0 370.501 2.387 20 30 FEEDRO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCC[C@](CO)(Cc2ccccc2)C1 ZINC000291814571 552664490 /nfs/dbraw/zinc/66/44/90/552664490.db2.gz NOZRPKIXZIVOJV-NQIIRXRSSA-N 1 0 357.498 2.312 20 30 FEEDRO Cc1oc(NC(=O)CN2CC[C@@](CO)(c3ccccc3)C2)c(C#N)c1C ZINC000291961933 552679272 /nfs/dbraw/zinc/67/92/72/552679272.db2.gz VCJVPGJHWQVNOV-HXUWFJFHSA-N 1 0 353.422 2.343 20 30 FEEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1ncn(C(C)(C)C)n1 ZINC000292004447 552683740 /nfs/dbraw/zinc/68/37/40/552683740.db2.gz ICBJAMQZUXCIKI-UHFFFAOYSA-N 1 0 354.458 2.109 20 30 FEEDRO COc1cc(C#N)ccc1OCC[NH2+][C@H](C(N)=O)[C@H](C)c1ccccc1 ZINC000292039681 552687366 /nfs/dbraw/zinc/68/73/66/552687366.db2.gz AJIJBDFGNZPVCH-KUHUBIRLSA-N 1 0 353.422 2.193 20 30 FEEDRO CO/N=C/c1ccc(C(=O)NCc2ccncc2OCCC[NH+](C)C)cc1 ZINC000292088454 552692435 /nfs/dbraw/zinc/69/24/35/552692435.db2.gz MWEJDKVBUVONDK-YDZHTSKRSA-N 1 0 370.453 2.322 20 30 FEEDRO C[C@@H]([NH2+]CC(=O)N[C@@](C)(C#N)C1CC1)c1ccc(-n2cccn2)c(F)c1 ZINC000292830259 552762743 /nfs/dbraw/zinc/76/27/43/552762743.db2.gz ALMKJHGWHAIFSL-YJYMSZOUSA-N 1 0 355.417 2.470 20 30 FEEDRO C[C@@H]1C[N@@H+](CCCNC(=O)c2cnc(C(F)(F)F)c(C#N)c2)C[C@H](C)O1 ZINC000293040031 552783162 /nfs/dbraw/zinc/78/31/62/552783162.db2.gz KRWYUIKXOWVNEZ-TXEJJXNPSA-N 1 0 370.375 2.201 20 30 FEEDRO C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc2c(ccn2CCC)c1 ZINC000293347465 552813868 /nfs/dbraw/zinc/81/38/68/552813868.db2.gz KNQFHUVWWMUWDV-UHFFFAOYSA-N 1 0 354.454 2.061 20 30 FEEDRO CS[C@H]1CN(C(=O)c2cc(C#N)cc(N(C)C)c2)C[C@@H]1[NH+]1CCCC1 ZINC000293514574 552831507 /nfs/dbraw/zinc/83/15/07/552831507.db2.gz OCHZZEAEBKOWCR-ROUUACIJSA-N 1 0 358.511 2.276 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1ccc(NC(=O)C(C)(C)C)nc1 ZINC000294357594 552899679 /nfs/dbraw/zinc/89/96/79/552899679.db2.gz ADNBHSXKUPTKHQ-UHFFFAOYSA-N 1 0 359.474 2.374 20 30 FEEDRO C#CCNC(=O)CC[NH+]1CCC(c2noc(-c3ccccc3OC)n2)CC1 ZINC000294491312 552910304 /nfs/dbraw/zinc/91/03/04/552910304.db2.gz HVRMFTXLZLDVSK-UHFFFAOYSA-N 1 0 368.437 2.064 20 30 FEEDRO CCN1CC[NH+](C[C@H](C)CNc2ncc(Br)cc2C#N)CC1 ZINC000294800533 552935054 /nfs/dbraw/zinc/93/50/54/552935054.db2.gz CEUSUBYVRPCUFN-CYBMUJFWSA-N 1 0 366.307 2.401 20 30 FEEDRO C[C@@H](NC(=O)C(=O)Nc1sccc1C#N)[C@@H](c1ccccc1)[NH+](C)C ZINC000294933065 552945467 /nfs/dbraw/zinc/94/54/67/552945467.db2.gz XPVZQCDCPZERHJ-DOMZBBRYSA-N 1 0 356.451 2.366 20 30 FEEDRO CO[C@@]1(C)C[C@@H]([NH2+]CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1(C)C ZINC000295093524 552958493 /nfs/dbraw/zinc/95/84/93/552958493.db2.gz AHHNWQDMPUXIBY-UZLBHIALSA-N 1 0 367.453 2.476 20 30 FEEDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)Cc2ccc(F)cc2C#N)[C@H](C)C1 ZINC000295270239 552978975 /nfs/dbraw/zinc/97/89/75/552978975.db2.gz RZDFEJDKHXJOCD-CXAGYDPISA-N 1 0 353.463 2.189 20 30 FEEDRO CC(C)(C[C@@H]1CCCN([C@@H]2CCN(c3sccc3C#N)C2=O)C1)C(N)=O ZINC000295468579 553011691 /nfs/dbraw/zinc/01/16/91/553011691.db2.gz GABJCQCCBSYOFZ-DZGCQCFKSA-N 1 0 374.510 2.339 20 30 FEEDRO CC[C@H](C)[NH+]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C)CC1 ZINC000295971245 553083151 /nfs/dbraw/zinc/08/31/51/553083151.db2.gz NXUGLXBQQPLAPI-HNNXBMFYSA-N 1 0 354.458 2.186 20 30 FEEDRO Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2CC[C@@H](OC(=O)N(C)C)C2)cc1 ZINC000296590645 553183910 /nfs/dbraw/zinc/18/39/10/553183910.db2.gz FLSSKBDCISOUCX-FUHWJXTLSA-N 1 0 372.469 2.403 20 30 FEEDRO CN(C)C(=O)O[C@@H]1CC[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000296731335 553204176 /nfs/dbraw/zinc/20/41/76/553204176.db2.gz NZEDMUBQGUSNSJ-CQSZACIVSA-N 1 0 364.833 2.313 20 30 FEEDRO CC[C@H](C)[NH+]1CCN(C(=O)C2CCN(c3oc(C)nc3C#N)CC2)CC1 ZINC000296767146 553208843 /nfs/dbraw/zinc/20/88/43/553208843.db2.gz CDQMKXNOQMBVBK-AWEZNQCLSA-N 1 0 359.474 2.014 20 30 FEEDRO CO[C@@H](CNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)C1CC1 ZINC000296931354 553231592 /nfs/dbraw/zinc/23/15/92/553231592.db2.gz OYGCHARFHOFRBV-IBGZPJMESA-N 1 0 356.470 2.201 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)N[C@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000296993245 553239587 /nfs/dbraw/zinc/23/95/87/553239587.db2.gz SSLFWUOKUVPBSX-IRXDYDNUSA-N 1 0 351.397 2.049 20 30 FEEDRO C[C@H]1CN(S(=O)(=O)Cc2ccc(F)cc2C#N)CC[N@@H+](C2CCC2)C1 ZINC000296999163 553240684 /nfs/dbraw/zinc/24/06/84/553240684.db2.gz JLLDNKWXJZNZGN-CQSZACIVSA-N 1 0 365.474 2.333 20 30 FEEDRO C[C@@H]1CN(C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)C[C@H](C)[N@H+]1C ZINC000297518332 553303302 /nfs/dbraw/zinc/30/33/02/553303302.db2.gz ZKBUTYNMKNVZEY-BXXOZEPKSA-N 1 0 371.485 2.377 20 30 FEEDRO C=CCN(CCc1ccco1)C(=O)C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000297847834 553346862 /nfs/dbraw/zinc/34/68/62/553346862.db2.gz RUWGOENFKWCTNJ-GOSISDBHSA-N 1 0 373.497 2.027 20 30 FEEDRO C[NH+](C)CCCNC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000298403891 553421231 /nfs/dbraw/zinc/42/12/31/553421231.db2.gz KALNIOKJMMSYJC-UHFFFAOYSA-N 1 0 371.441 2.091 20 30 FEEDRO CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)NCc1ccc2c[nH+]cn2c1 ZINC000298568738 553441960 /nfs/dbraw/zinc/44/19/60/553441960.db2.gz QELIWTULLWVEHV-UHFFFAOYSA-N 1 0 364.409 2.017 20 30 FEEDRO CC(C)[NH+](CCN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)C(C)C ZINC000503985391 561651239 /nfs/dbraw/zinc/65/12/39/561651239.db2.gz IDGYZIJNCDYBQV-UHFFFAOYSA-N 1 0 368.459 2.206 20 30 FEEDRO C[C@H]1CCCN(C(=O)C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)C1 ZINC000299656246 553597360 /nfs/dbraw/zinc/59/73/60/553597360.db2.gz QMEWNAXDXIECEM-INIZCTEOSA-N 1 0 368.481 2.467 20 30 FEEDRO C[NH+](C)[C@H](CNc1ccc(S(N)(=O)=O)cc1C#N)c1cccc(F)c1 ZINC000301326708 553642417 /nfs/dbraw/zinc/64/24/17/553642417.db2.gz BHARMPWUJHQYSE-QGZVFWFLSA-N 1 0 362.430 2.060 20 30 FEEDRO CC(C)(C(N)=O)N1CCN(C(=O)N[C@H]2CCCC23CCOCC3)CC1 ZINC000328694965 553808312 /nfs/dbraw/zinc/80/83/12/553808312.db2.gz GGBIMHNJURJWHH-AWEZNQCLSA-N 1 0 352.479 2.181 20 30 FEEDRO CCC[NH+]1CCC(CNC(=O)NC2CCN(C(=O)C3CC3)CC2)CC1 ZINC000328706250 553810294 /nfs/dbraw/zinc/81/02/94/553810294.db2.gz YZOPEXFMFMIMTJ-UHFFFAOYSA-N 1 0 350.507 2.013 20 30 FEEDRO O=C(N[C@@H]1CCN(Cc2ccccc2)C1=O)NC1CC[NH+](CC2CC2)CC1 ZINC000328753057 553816765 /nfs/dbraw/zinc/81/67/65/553816765.db2.gz RTHDJAQBICOZPA-LJQANCHMSA-N 1 0 370.497 2.166 20 30 FEEDRO O=C(Nc1ccccc1C[NH+]1CCC(O)CC1)[C@H]1CCc2n[nH]nc2C1 ZINC000328766047 553819383 /nfs/dbraw/zinc/81/93/83/553819383.db2.gz HAWGPUSYTQLTLH-ZDUSSCGKSA-N 1 0 355.442 2.155 20 30 FEEDRO Cc1nc2ccnn2c(C)c1C(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000328850545 553833012 /nfs/dbraw/zinc/83/30/12/553833012.db2.gz BOYVHEKBQYAHBI-UHFFFAOYSA-N 1 0 365.441 2.129 20 30 FEEDRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)N[C@@H]1CCCN(c2ccccc2F)C1=O ZINC000328867056 553835874 /nfs/dbraw/zinc/83/58/74/553835874.db2.gz GWQMJPFWNPVSDW-XJKSGUPXSA-N 1 0 360.433 2.061 20 30 FEEDRO CC(C)(C)[C@@H]1C[C@H](NC(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CCO1 ZINC000328909347 553843291 /nfs/dbraw/zinc/84/32/91/553843291.db2.gz DQZZCCDHXQRATG-TVFCKZIOSA-N 1 0 367.534 2.462 20 30 FEEDRO CC(=O)N1CCN(C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@H]2C)CC12CCCCC2 ZINC000328934907 553848623 /nfs/dbraw/zinc/84/86/23/553848623.db2.gz CGAQHYCJKFSHPT-SJLPKXTDSA-N 1 0 364.534 2.496 20 30 FEEDRO C[C@]1(O)CCOC[C@@H]1[C@H]1CCC[N@@H+]1CC(=O)Nc1ccc2c(c1)OCO2 ZINC000328978059 553857295 /nfs/dbraw/zinc/85/72/95/553857295.db2.gz QQWJUZWWWLLRKD-CLCXKQKWSA-N 1 0 362.426 2.255 20 30 FEEDRO CN1CCOC[C@H]1C(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000328993393 553861103 /nfs/dbraw/zinc/86/11/03/553861103.db2.gz DSDVMPILWRNXMD-INIZCTEOSA-N 1 0 353.507 2.087 20 30 FEEDRO CC1=CC[N@H+](CCNC(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)CC1 ZINC000328997216 553861673 /nfs/dbraw/zinc/86/16/73/553861673.db2.gz KDRJKEAOVAWSJD-UHFFFAOYSA-N 1 0 362.474 2.300 20 30 FEEDRO CC[N@@H+]1CCC[C@H](NC(=O)N2CCN(C(C)=O)C3(CCCCC3)C2)C1 ZINC000329003267 553862756 /nfs/dbraw/zinc/86/27/56/553862756.db2.gz YBCMFLIKYNLAFV-KRWDZBQOSA-N 1 0 350.507 2.252 20 30 FEEDRO CO[C@@H]1CCC[C@@H]1[C@@H]1COCCN1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000329097931 553880187 /nfs/dbraw/zinc/88/01/87/553880187.db2.gz YQQJGWWIWQUAKS-NJAJRWJTSA-N 1 0 365.518 2.432 20 30 FEEDRO CCC(=O)N1CCCC[C@H]1C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000329105881 553881464 /nfs/dbraw/zinc/88/14/64/553881464.db2.gz OOKDJWBQOWABKE-INIZCTEOSA-N 1 0 351.491 2.379 20 30 FEEDRO Cc1nc(CC(C)C)oc1C(=O)NC1CC[NH+]([C@H]2CCN(C)C2=O)CC1 ZINC000329163191 553892888 /nfs/dbraw/zinc/89/28/88/553892888.db2.gz GIFPQBVTAYRQLL-HNNXBMFYSA-N 1 0 362.474 2.181 20 30 FEEDRO C[C@H](Oc1cccc(F)c1)C(=O)NC1CC[NH+]([C@@H]2CCN(C)C2=O)CC1 ZINC000329164771 553893429 /nfs/dbraw/zinc/89/34/29/553893429.db2.gz HDEKPFDNZGIMKO-SUMWQHHRSA-N 1 0 363.433 2.245 20 30 FEEDRO CN1CC[C@@H]([NH+]2CCC(NC(=O)c3ccc4ncsc4c3)CC2)C1=O ZINC000329176501 553896194 /nfs/dbraw/zinc/89/61/94/553896194.db2.gz MMEDKLNISJVKSU-OAHLLOKOSA-N 1 0 358.467 2.296 20 30 FEEDRO C[C@]1(C[C@@H]2CCCN2C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)NC(=O)NC1=O ZINC000329242469 553909201 /nfs/dbraw/zinc/90/92/01/553909201.db2.gz OIVSFZQKRFZEJC-MOROJQBDSA-N 1 0 363.462 2.025 20 30 FEEDRO C[C@@H]1CCC[C@](CNC(=O)N2CCO[C@]3(CCCOC3)C2)([NH+](C)C)C1 ZINC000329252265 553911104 /nfs/dbraw/zinc/91/11/04/553911104.db2.gz YLDLTBLIDGHURR-NZSAHSFTSA-N 1 0 353.507 2.292 20 30 FEEDRO Cc1ccc(N2CCC[C@H](NC(=O)N3CC[C@H]([NH+]4CCCC4)[C@H]3C)C2)nn1 ZINC000329260031 553912946 /nfs/dbraw/zinc/91/29/46/553912946.db2.gz CRQSGOMMNHNAQE-SQNIBIBYSA-N 1 0 372.517 2.226 20 30 FEEDRO CCOC1CC(N(C)C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)C1 ZINC000329283030 553917061 /nfs/dbraw/zinc/91/70/61/553917061.db2.gz NEVZHCJJHOJYTC-HIEASXQVSA-N 1 0 353.507 2.168 20 30 FEEDRO C[C@H](NC(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21)c1cn(-c2ccccc2)nn1 ZINC000329290048 553918682 /nfs/dbraw/zinc/91/86/82/553918682.db2.gz QHHDPWPUNIASGS-MPGHIAIKSA-N 1 0 354.458 2.268 20 30 FEEDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NCC(=O)N(C)C1CCCCC1 ZINC000329296759 553919749 /nfs/dbraw/zinc/91/97/49/553919749.db2.gz SYBKPTRUVQPAPK-WBVHZDCISA-N 1 0 350.507 2.250 20 30 FEEDRO C[NH+](C)[C@H](CNC(=O)N1CCO[C@@]2(CCCOC2)C1)C1CCCCC1 ZINC000329298546 553920361 /nfs/dbraw/zinc/92/03/61/553920361.db2.gz ULCHTSQLHFLJID-MJGOQNOKSA-N 1 0 353.507 2.292 20 30 FEEDRO C[C@@H](NC(=O)N[C@@H](C)c1nnc2n1CCC2)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000329322489 553925282 /nfs/dbraw/zinc/92/52/82/553925282.db2.gz UTTDXYBCSQSPLZ-QLFBSQMISA-N 1 0 360.506 2.442 20 30 FEEDRO N#Cc1ccc(-n2ccc(NC(=O)N3CC[N@@H+]4CCC[C@@H]4C3)n2)c(Cl)c1 ZINC000329352182 553930201 /nfs/dbraw/zinc/93/02/01/553930201.db2.gz XNRCYYCEUZBFIQ-CQSZACIVSA-N 1 0 370.844 2.709 20 30 FEEDRO C[C@H]1N(C(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2ccnn2C)CCOC1(C)C ZINC000329452128 553949818 /nfs/dbraw/zinc/94/98/18/553949818.db2.gz LTFCCGMRBJIYRJ-HLLBOEOZSA-N 1 0 363.506 2.216 20 30 FEEDRO N#Cc1ccc(N2CCC[C@@H]([N@@H+]3CCC[C@H](c4nnc[nH]4)C3)C2=O)cc1 ZINC000329468899 553952345 /nfs/dbraw/zinc/95/23/45/553952345.db2.gz XRJFOKSYGYOBDV-DOTOQJQBSA-N 1 0 350.426 2.051 20 30 FEEDRO CC(C)[NH+]1CCC(NC(=O)N2CCC[C@@H]2C[C@]2(C)NC(=O)NC2=O)CC1 ZINC000329487596 553956629 /nfs/dbraw/zinc/95/66/29/553956629.db2.gz UEFLXRDQOVZNQP-KDOFPFPSSA-N 1 0 365.478 2.271 20 30 FEEDRO Cc1cc(N2CCC(NC(=O)N3CC[C@H]([NH+]4CCCC4)[C@H]3C)CC2)n[nH]1 ZINC000329509757 553959386 /nfs/dbraw/zinc/95/93/86/553959386.db2.gz BPDMQABXSQGGSN-WBVHZDCISA-N 1 0 360.506 2.160 20 30 FEEDRO CC(C)c1nc([C@@H]2COCCN2C(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)no1 ZINC000329527648 553962211 /nfs/dbraw/zinc/96/22/11/553962211.db2.gz UICGFBAHGUJIKU-GUTXKFCHSA-N 1 0 363.462 2.106 20 30 FEEDRO N#Cc1ccc(OC2CCC(NC(=O)NCCC[NH+]3CCCC3)CC2)nc1 ZINC000506846956 561709954 /nfs/dbraw/zinc/70/99/54/561709954.db2.gz MMJJKWUQXWFGRS-UHFFFAOYSA-N 1 0 371.485 2.428 20 30 FEEDRO C[C@H]1CN(C(=O)N[C@@H]2CCC(=O)N[C@H]2C(C)(C)C)CC[N@@H+]1CC(C)(C)O ZINC000329713841 553993528 /nfs/dbraw/zinc/99/35/28/553993528.db2.gz SBVVEFNTTSAHTB-SQWLQELKSA-N 1 0 368.522 2.211 20 30 FEEDRO CC(C)N1CC[C@@H](NC(=O)N[C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)C1=O ZINC000329715326 553994299 /nfs/dbraw/zinc/99/42/99/553994299.db2.gz UVPALZVWISRQHI-BPQIPLTHSA-N 1 0 358.486 2.335 20 30 FEEDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NC1CCC2(CC1)NC(=O)NC2=O ZINC000329714670 553994370 /nfs/dbraw/zinc/99/43/70/553994370.db2.gz TXVINCAWBOAJQM-LVIIFESRSA-N 1 0 365.478 2.128 20 30 FEEDRO C[C@@H]1C[C@H](NC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)CC[N@@H+]1C ZINC000329720821 553994780 /nfs/dbraw/zinc/99/47/80/553994780.db2.gz MWJDSGPOKQINTH-QLFBSQMISA-N 1 0 373.453 2.250 20 30 FEEDRO O=C(N[C@@H]1CCCS(=O)(=O)C1)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000329720177 553994980 /nfs/dbraw/zinc/99/49/80/553994980.db2.gz AHVDDCJVRSIDDU-QGZVFWFLSA-N 1 0 371.547 2.066 20 30 FEEDRO C[C@H](CNC(=O)N1CCS(=O)(=O)C2(CCCCC2)C1)C[NH+]1CCCC1 ZINC000329792285 554006794 /nfs/dbraw/zinc/00/67/94/554006794.db2.gz FJJMYMYQCRGNLV-MRXNPFEDSA-N 1 0 371.547 2.066 20 30 FEEDRO Cc1ccc(N(C)C2CCN(C(=O)N[C@@H]3CC[N@H+](C)[C@@H](C)C3)CC2)nn1 ZINC000329804771 554008978 /nfs/dbraw/zinc/00/89/78/554008978.db2.gz MJBLXYHIVHSDBA-JKSUJKDBSA-N 1 0 360.506 2.082 20 30 FEEDRO COCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCN(C(=O)NC3CCCC3)C2)C1 ZINC000329888052 554025334 /nfs/dbraw/zinc/02/53/34/554025334.db2.gz YHJMGTDJSBLRAE-WBVHZDCISA-N 1 0 366.506 2.232 20 30 FEEDRO CC(C)c1nnc([C@@H]2CN(C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@@H]34)CCO2)o1 ZINC000329897949 554026991 /nfs/dbraw/zinc/02/69/91/554026991.db2.gz DKSFFJGCMJZACN-ILXRZTDVSA-N 1 0 363.462 2.107 20 30 FEEDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)C1 ZINC000507320489 561724785 /nfs/dbraw/zinc/72/47/85/561724785.db2.gz AGFQJYXKRLWUDL-BEFAXECRSA-N 1 0 351.491 2.342 20 30 FEEDRO C[C@@H]1CCN(C(=O)NC[C@]2([NH+](C)C)CCSC2)C[C@H]1n1ccnc1 ZINC000329948898 554037426 /nfs/dbraw/zinc/03/74/26/554037426.db2.gz LBOSZADNHWFZDR-BFYDXBDKSA-N 1 0 351.520 2.117 20 30 FEEDRO CCO[C@@H]1C[C@H](NC(=O)NC[C@@H]2CCC[N@H+](CC)C2)C12CCOCC2 ZINC000329993007 554045734 /nfs/dbraw/zinc/04/57/34/554045734.db2.gz YCFRYWRETAPASJ-YESZJQIVSA-N 1 0 353.507 2.196 20 30 FEEDRO CC(C)(CNC(=O)N1CCC(C(=O)N2CCCC2)CC1)C[NH+]1CCCC1 ZINC000330024303 554051373 /nfs/dbraw/zinc/05/13/73/554051373.db2.gz AGZIRZZKIHKLPN-UHFFFAOYSA-N 1 0 364.534 2.357 20 30 FEEDRO C[NH+](C)[C@@]1(CNC(=O)C2CCN(C(=O)N3CCCC3)CC2)CCSC1 ZINC000330056039 554056114 /nfs/dbraw/zinc/05/61/14/554056114.db2.gz VFZBBYHETVAZQX-GOSISDBHSA-N 1 0 368.547 2.308 20 30 FEEDRO CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)NCC1([NH+](C)C)CCCC1)CC2 ZINC000330062225 554057527 /nfs/dbraw/zinc/05/75/27/554057527.db2.gz AOEWRGCKYWFRLA-HZPDHXFCSA-N 1 0 353.507 2.027 20 30 FEEDRO O=C(Cn1c(=O)[nH]c(=O)c2ccccc21)NC1CC([NH+]2CCCCC2)C1 ZINC000330078708 554060694 /nfs/dbraw/zinc/06/06/94/554060694.db2.gz NTVQWVGTGSVCAW-UHFFFAOYSA-N 1 0 356.426 2.076 20 30 FEEDRO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N2CCC(c3nnc4n3CCCC4)CC2)C1 ZINC000330088039 554062226 /nfs/dbraw/zinc/06/22/26/554062226.db2.gz NSGLIBSBHLTFBK-WBVHZDCISA-N 1 0 374.533 2.437 20 30 FEEDRO O=C(NC1CC[NH+](C2CCCC2)CC1)N1CCn2c(nnc2C2CC2)C1 ZINC000330122101 554068202 /nfs/dbraw/zinc/06/82/02/554068202.db2.gz KDYAZJQNCMIJBH-UHFFFAOYSA-N 1 0 358.490 2.292 20 30 FEEDRO CC(C)C[NH+]1CCC(NC(=O)N2CCC(O[C@@H]3CCOC3)CC2)CC1 ZINC000330138106 554071811 /nfs/dbraw/zinc/07/18/11/554071811.db2.gz IFYQJPXKKXJHEX-GOSISDBHSA-N 1 0 353.507 2.291 20 30 FEEDRO O=C(NCC(F)(F)F)[C@@H]1CCN(C(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000330175608 554078585 /nfs/dbraw/zinc/07/85/85/554078585.db2.gz JGPUUJDPJYUOMY-LLVKDONJSA-N 1 0 362.396 2.368 20 30 FEEDRO C[NH+](C)C1(CNC(=O)N2CCOC3(CCOCC3)C2)CCCCCC1 ZINC000330194087 554082444 /nfs/dbraw/zinc/08/24/44/554082444.db2.gz YZKMEIYSXMOVJW-UHFFFAOYSA-N 1 0 353.507 2.436 20 30 FEEDRO Cc1ccc(NC(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)cc1N1CCNC1=O ZINC000330196845 554082862 /nfs/dbraw/zinc/08/28/62/554082862.db2.gz QYVSROWOQSHVJV-YOEHRIQHSA-N 1 0 357.458 2.301 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1F ZINC000330197203 554083053 /nfs/dbraw/zinc/08/30/53/554083053.db2.gz RMHXLHQKCCDXFB-RDTXWAMCSA-N 1 0 363.458 2.335 20 30 FEEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN1CCS[C@H](C)C1 ZINC000507687953 561737998 /nfs/dbraw/zinc/73/79/98/561737998.db2.gz NHFIJRIKJOJAJO-CYBMUJFWSA-N 1 0 364.515 2.389 20 30 FEEDRO COc1ccc2c(c1)CN(C(=O)NC1CC[NH+]([C@@H]3CCC[C@@H]3O)CC1)CC2 ZINC000330212243 554086379 /nfs/dbraw/zinc/08/63/79/554086379.db2.gz DNFQSHGYVRFTPW-UXHICEINSA-N 1 0 373.497 2.345 20 30 FEEDRO Cc1ccc(NC(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)cc1N1CCNC1=O ZINC000330229842 554089129 /nfs/dbraw/zinc/08/91/29/554089129.db2.gz WCKLFSKUWWCYEN-ZBFHGGJFSA-N 1 0 357.458 2.443 20 30 FEEDRO C[C@H](Sc1nncn1C)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000330234283 554090251 /nfs/dbraw/zinc/09/02/51/554090251.db2.gz YHGMWVUIGSRQHK-NWANDNLSSA-N 1 0 367.519 2.020 20 30 FEEDRO C=CCN1C(=O)c2ccc(C(=O)N3C[C@@H]4CCC[N@H+]4C[C@H]3CC)cc2C1=O ZINC000330238673 554090787 /nfs/dbraw/zinc/09/07/87/554090787.db2.gz ZYZAQOPHIGUDJT-CVEARBPZSA-N 1 0 367.449 2.167 20 30 FEEDRO O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)N1CCC(OCC2CC2)CC1 ZINC000330241873 554091726 /nfs/dbraw/zinc/09/17/26/554091726.db2.gz WHURTMVDMRIPNW-MOPGFXCFSA-N 1 0 365.518 2.169 20 30 FEEDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N[C@@H]1CCO[C@@H](c2cncn2C)C1 ZINC000330317622 554103883 /nfs/dbraw/zinc/10/38/83/554103883.db2.gz BUPBSDIFUVARBI-KYHPRHEASA-N 1 0 363.506 2.264 20 30 FEEDRO CCn1ccnc1[C@H]1OCCC[C@@H]1NC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000330336908 554107201 /nfs/dbraw/zinc/10/72/01/554107201.db2.gz STUGHBMTRAWVEC-QZWWFDLISA-N 1 0 361.490 2.254 20 30 FEEDRO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1C[C@@H]2OCCN(C)[C@H]2C1 ZINC000330351135 554110142 /nfs/dbraw/zinc/11/01/42/554110142.db2.gz LWMYPRJKFQFRBW-UGFHNGPFSA-N 1 0 360.483 2.100 20 30 FEEDRO CC(C)C(=O)NC1CCN(C(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000330417007 554118790 /nfs/dbraw/zinc/11/87/90/554118790.db2.gz VNFOYRHHPGRMLE-HZPDHXFCSA-N 1 0 352.523 2.257 20 30 FEEDRO Cc1ccc(C(=O)N2CCSCC2)cc1NC(=O)NC[C@@H](C)[NH+](C)C ZINC000330487553 554127991 /nfs/dbraw/zinc/12/79/91/554127991.db2.gz GQQOTXIQSNQCQH-CQSZACIVSA-N 1 0 364.515 2.460 20 30 FEEDRO CC(C)NC(=O)N1CCC[C@H]1C(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000330580298 554140915 /nfs/dbraw/zinc/14/09/15/554140915.db2.gz TZMFLAXCKUEKSF-KRWDZBQOSA-N 1 0 352.523 2.354 20 30 FEEDRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)Nc2cc(F)cc(F)c2)CC1 ZINC000330666416 554153948 /nfs/dbraw/zinc/15/39/48/554153948.db2.gz IGLBDQIFXCLLQE-UHFFFAOYSA-N 1 0 354.401 2.233 20 30 FEEDRO C=CCN1C(=O)c2ccc(C(=O)NCCCCC[NH+]3CCCC3)cc2C1=O ZINC000508132111 561752847 /nfs/dbraw/zinc/75/28/47/561752847.db2.gz HNJRIUSNPLFQLD-UHFFFAOYSA-N 1 0 369.465 2.465 20 30 FEEDRO Cc1oc(S(N)(=O)=O)cc1C(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000330716142 554162208 /nfs/dbraw/zinc/16/22/08/554162208.db2.gz YTHRWOAIBXODJP-TXEJJXNPSA-N 1 0 371.503 2.297 20 30 FEEDRO COc1cc(NC(=O)NC[C@@H]2C[N@H+](C)CCN2C)cc(OC)c1C(C)C ZINC000330724244 554163158 /nfs/dbraw/zinc/16/31/58/554163158.db2.gz YVAJIFIYBBCAEB-OAHLLOKOSA-N 1 0 364.490 2.399 20 30 FEEDRO CC[C@H]1CN(C(=O)Nc2cc(NC(C)=O)ccc2F)CC[N@@H+]1C[C@H](C)O ZINC000331128384 554218162 /nfs/dbraw/zinc/21/81/62/554218162.db2.gz IGHGUVRYBXQJBY-WFASDCNBSA-N 1 0 366.437 2.107 20 30 FEEDRO COc1cc(C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)cc(Cl)c1O ZINC000331286784 554241761 /nfs/dbraw/zinc/24/17/61/554241761.db2.gz UKCYLMSTEJOEID-UHFFFAOYSA-N 1 0 355.866 2.385 20 30 FEEDRO C[C@H]1C[NH+](CC2CCN(S(=O)(=O)CC(C)(C)CC#N)CC2)C[C@H](C)O1 ZINC000331293791 554242115 /nfs/dbraw/zinc/24/21/15/554242115.db2.gz CCBQZLLLSVZHQO-HOTGVXAUSA-N 1 0 371.547 2.077 20 30 FEEDRO CNC(=O)c1cccc(NC(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)c1C ZINC000331291845 554242380 /nfs/dbraw/zinc/24/23/80/554242380.db2.gz KZOWNJPNCMTMIL-ZDUSSCGKSA-N 1 0 362.474 2.252 20 30 FEEDRO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCC[C@H](c2nc(C(F)(F)F)c[nH]2)C1 ZINC000331308856 554245239 /nfs/dbraw/zinc/24/52/39/554245239.db2.gz XLAWEGWGLYKBEM-NEPJUHHUSA-N 1 0 357.380 2.368 20 30 FEEDRO Cc1cc(COCC(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)on1 ZINC000509313730 561794951 /nfs/dbraw/zinc/79/49/51/561794951.db2.gz LVZPADFFRGRSBW-UHFFFAOYSA-N 1 0 368.437 2.174 20 30 FEEDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1ccc(-n2ncc(C#N)c2N)cc1 ZINC000331872060 554335610 /nfs/dbraw/zinc/33/56/10/554335610.db2.gz HDGXLNSFGZAJQJ-CQSZACIVSA-N 1 0 366.469 2.128 20 30 FEEDRO CC[NH+]1CCC(N(C)C(=O)[C@@H]2CCCN(c3nc(C)ccc3C#N)C2)CC1 ZINC000331896789 554341640 /nfs/dbraw/zinc/34/16/40/554341640.db2.gz YHUQYTGEMORSSZ-GOSISDBHSA-N 1 0 369.513 2.421 20 30 FEEDRO CCOc1ccc(N(CCC#N)C(=O)CN2C[C@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000509504254 561802564 /nfs/dbraw/zinc/80/25/64/561802564.db2.gz RLOYZOPDUYCZIF-IRXDYDNUSA-N 1 0 358.486 2.356 20 30 FEEDRO CC[NH+]1CCC(N(C)C(=O)CCc2c(C)nc3c(C#N)cnn3c2C)CC1 ZINC000332090110 554377853 /nfs/dbraw/zinc/37/78/53/554377853.db2.gz LUGWYZAUFFRSKY-UHFFFAOYSA-N 1 0 368.485 2.093 20 30 FEEDRO Cc1cc(NC(=O)N[C@@H](C)CC[NH+]2CCN(C)CC2)c(C#N)cc1N(C)C ZINC000332648950 554490739 /nfs/dbraw/zinc/49/07/39/554490739.db2.gz XZSPKCHYDZCTMM-INIZCTEOSA-N 1 0 372.517 2.080 20 30 FEEDRO N#Cc1c2c(sc1NC(=O)CC[NH2+][C@@H]1CCC(=O)N[C@H]1C1CC1)CCC2 ZINC000333179209 554584381 /nfs/dbraw/zinc/58/43/81/554584381.db2.gz ROFFLZSLNFTAIB-KDOFPFPSSA-N 1 0 372.494 2.084 20 30 FEEDRO C=CCNC(=O)Cc1noc(-c2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)n1 ZINC000350727210 554810113 /nfs/dbraw/zinc/81/01/13/554810113.db2.gz SVTOWGUZUOFPPE-GJZGRUSLSA-N 1 0 370.453 2.191 20 30 FEEDRO Cc1c(C#N)cccc1NC(=O)C(=O)N1CCC[C@H]([NH+]2CCCCC2)C1 ZINC000360140547 554863924 /nfs/dbraw/zinc/86/39/24/554863924.db2.gz KVFWFUCPBMZONL-KRWDZBQOSA-N 1 0 354.454 2.282 20 30 FEEDRO Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000613157195 554894050 /nfs/dbraw/zinc/89/40/50/554894050.db2.gz XCBNUSWZOFIWHQ-OAHLLOKOSA-N 1 0 367.457 2.443 20 30 FEEDRO CC[C@H](C[NH+]1CCCC1)NC(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C ZINC000613161023 554894675 /nfs/dbraw/zinc/89/46/75/554894675.db2.gz OHKGDCBOESNMKM-MRXNPFEDSA-N 1 0 367.457 2.443 20 30 FEEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000361288078 554914592 /nfs/dbraw/zinc/91/45/92/554914592.db2.gz OEIPWMBDCFFWLL-RTBURBONSA-N 1 0 354.454 2.119 20 30 FEEDRO C[C@H]1CCC[N@H+](CCNC(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)C1 ZINC000362710093 554983324 /nfs/dbraw/zinc/98/33/24/554983324.db2.gz HXHJZUFAOGDMTB-LPHOPBHVSA-N 1 0 356.470 2.373 20 30 FEEDRO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CCCN(CC[NH+](C)C)CC1 ZINC000362834728 554991983 /nfs/dbraw/zinc/99/19/83/554991983.db2.gz PHZXPKKZKIARHU-HXUWFJFHSA-N 1 0 372.513 2.058 20 30 FEEDRO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@H+]2[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000511669660 561877603 /nfs/dbraw/zinc/87/76/03/561877603.db2.gz YLBOQLJFDSEZJI-RSKUYJRESA-N 1 0 351.450 2.409 20 30 FEEDRO CCc1nc([C@@H]2CCC[N@H+](C[C@@H](O)COc3ccc(C#N)cc3)C2)no1 ZINC000363103146 555031152 /nfs/dbraw/zinc/03/11/52/555031152.db2.gz CSSLOMSFSYBGNO-HZPDHXFCSA-N 1 0 356.426 2.123 20 30 FEEDRO C[NH+](C)CCOc1cc(CNC(=O)NCC#Cc2cccc(F)c2)ccn1 ZINC000511786821 561880592 /nfs/dbraw/zinc/88/05/92/561880592.db2.gz VREDTSHUXIBOBZ-UHFFFAOYSA-N 1 0 370.428 2.012 20 30 FEEDRO CC(C)CC[NH+]1CCC(CNC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)CC1 ZINC000363321408 555077534 /nfs/dbraw/zinc/07/75/34/555077534.db2.gz QPVRGTJYGHHDIB-IBGZPJMESA-N 1 0 361.534 2.126 20 30 FEEDRO N#Cc1ccc(NC(=O)CC[N@@H+]2CCCN(C(=O)c3ccco3)CC2)cc1 ZINC000363380409 555090332 /nfs/dbraw/zinc/09/03/32/555090332.db2.gz KKDDYLKXGPZOOP-UHFFFAOYSA-N 1 0 366.421 2.328 20 30 FEEDRO N#CC1(NC(=O)C[N@@H+]2CCC[C@H](C(=O)N3CCCCCC3)C2)CCCCC1 ZINC000363468474 555113513 /nfs/dbraw/zinc/11/35/13/555113513.db2.gz RRUKZIMVJOLEEY-SFHVURJKSA-N 1 0 374.529 2.444 20 30 FEEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)CCN1CC[NH+](CC)CC1 ZINC000511970886 561887512 /nfs/dbraw/zinc/88/75/12/561887512.db2.gz OOSXFYFUXKWXAQ-UHFFFAOYSA-N 1 0 360.458 2.137 20 30 FEEDRO C=CCN(CCc1ccccc1)C(=O)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000511983090 561887964 /nfs/dbraw/zinc/88/79/64/561887964.db2.gz ONAZKEMBXOQHFA-UHFFFAOYSA-N 1 0 369.509 2.377 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC(OC[C@@H]3CCOC3)CC2)CC1 ZINC000363650810 555155431 /nfs/dbraw/zinc/15/54/31/555155431.db2.gz IOXSEVZXGHGZFV-QGZVFWFLSA-N 1 0 365.518 2.254 20 30 FEEDRO COc1c[nH+]ccc1N1CCN(C(=O)NCC#Cc2cccc(F)c2)CC1 ZINC000512173072 561894880 /nfs/dbraw/zinc/89/48/80/561894880.db2.gz RWRGOHXJFHKWJV-UHFFFAOYSA-N 1 0 368.412 2.113 20 30 FEEDRO C#CCOc1ccc(C[NH2+][C@H]2CCCN(Cc3ccnc(C)n3)C2=O)cc1 ZINC000363979835 555226467 /nfs/dbraw/zinc/22/64/67/555226467.db2.gz UKOYAWSVOHVFMN-FQEVSTJZSA-N 1 0 364.449 2.078 20 30 FEEDRO C#CC[N@@H+](CC(=O)N1CCC(C(=O)N2CCCCC2)CC1)C1CCCC1 ZINC000363987857 555228407 /nfs/dbraw/zinc/22/84/07/555228407.db2.gz NGJFVTZNEJQUGD-UHFFFAOYSA-N 1 0 359.514 2.115 20 30 FEEDRO CC(=O)N1CCC[C@H]1[C@@H]1CCCN1CC(=O)Nc1oc(C)c(C)c1C#N ZINC000364377647 555302134 /nfs/dbraw/zinc/30/21/34/555302134.db2.gz OTGKFCAPBILBFE-IRXDYDNUSA-N 1 0 358.442 2.182 20 30 FEEDRO C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1NC(=O)c1ccccc1OCC#N ZINC000364567246 555340542 /nfs/dbraw/zinc/34/05/42/555340542.db2.gz ZDODKZJDXZUHIH-JFIYKMOQSA-N 1 0 357.454 2.208 20 30 FEEDRO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCC[C@H]2Cc2ccccc2)CC1 ZINC000512450306 561905455 /nfs/dbraw/zinc/90/54/55/561905455.db2.gz QRHVDDUEIOMCFL-SFTDATJTSA-N 1 0 368.525 2.386 20 30 FEEDRO CCC[NH+]1CCN(C2CCN(c3nc4ccccn4c3C#N)CC2)CC1 ZINC000364682797 555373839 /nfs/dbraw/zinc/37/38/39/555373839.db2.gz QERQLZQBLRJJIG-UHFFFAOYSA-N 1 0 352.486 2.202 20 30 FEEDRO CC(C)C[C@H](CNC(=O)[C@H]1CCC(=O)N1Cc1cccc(C#N)c1)[NH+](C)C ZINC000364766978 555397373 /nfs/dbraw/zinc/39/73/73/555397373.db2.gz FOCRXNOPYPNVCE-RTBURBONSA-N 1 0 370.497 2.142 20 30 FEEDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 ZINC000512664800 561911723 /nfs/dbraw/zinc/91/17/23/561911723.db2.gz BMSYKVMHJCBANW-AZUAARDMSA-N 1 0 369.513 2.280 20 30 FEEDRO Cc1c(C#N)cccc1C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000512843331 561917370 /nfs/dbraw/zinc/91/73/70/561917370.db2.gz BXZKAVGORNTCSW-UHFFFAOYSA-N 1 0 370.497 2.223 20 30 FEEDRO Cc1nc(COc2ccc(C[NH2+]CCn3cnc(C#N)n3)cc2)cs1 ZINC000512892423 561919134 /nfs/dbraw/zinc/91/91/34/561919134.db2.gz VVHPKAPNVFOWNN-UHFFFAOYSA-N 1 0 354.439 2.284 20 30 FEEDRO N#Cc1ccc(OC(F)F)c(NC(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000365187263 555505612 /nfs/dbraw/zinc/50/56/12/555505612.db2.gz RIUDYVSVPWBCQS-OLZOCXBDSA-N 1 0 366.368 2.144 20 30 FEEDRO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@]2(CCC[C@H]2NC(=O)OC(C)(C)C)C1 ZINC000365229512 555517064 /nfs/dbraw/zinc/51/70/64/555517064.db2.gz QNTXEHIFVGCWEV-KHYOSLBOSA-N 1 0 351.491 2.446 20 30 FEEDRO COc1cc(OC)cc(C2(O)CC[NH+](Cc3cc(C#N)n(C)c3)CC2)c1 ZINC000365256702 555524189 /nfs/dbraw/zinc/52/41/89/555524189.db2.gz OQLNWTVEWDCZTD-UHFFFAOYSA-N 1 0 355.438 2.398 20 30 FEEDRO CC(C)(CCC#N)C[NH+]1CCN(Cc2nnnn2-c2ccccc2)CC1 ZINC000513406110 561937036 /nfs/dbraw/zinc/93/70/36/561937036.db2.gz MYYYJEGSKZRPIA-UHFFFAOYSA-N 1 0 353.474 2.110 20 30 FEEDRO Cc1ncc(C[N@@H+]2CC[C@H](NC(=O)c3cc(C#N)cn3C)[C@H](C)C2)s1 ZINC000365921346 555701738 /nfs/dbraw/zinc/70/17/38/555701738.db2.gz POWFWMVLVQQJDL-WBMJQRKESA-N 1 0 357.483 2.302 20 30 FEEDRO N#Cc1cccc(CNC(=O)CN(Cc2ccco2)C[C@H]2CCCO2)c1 ZINC000513643980 561945753 /nfs/dbraw/zinc/94/57/53/561945753.db2.gz YOAWAWFMCVTGIV-LJQANCHMSA-N 1 0 353.422 2.449 20 30 FEEDRO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@@H](NC(=O)C(C)C)C1 ZINC000513821410 561951551 /nfs/dbraw/zinc/95/15/51/561951551.db2.gz IKWGGLVCENYCOL-MOPGFXCFSA-N 1 0 360.498 2.391 20 30 FEEDRO CN1CC[NH+](C2(CNC(=O)NCC3(CC#N)CC3)CCCCCC2)CC1 ZINC000366581554 555882241 /nfs/dbraw/zinc/88/22/41/555882241.db2.gz ZOXKFMKOTDVMCP-UHFFFAOYSA-N 1 0 361.534 2.320 20 30 FEEDRO N#Cc1ccc(N2C(=O)C[C@H](N3CCC(c4ccccn4)CC3)C2=O)cc1 ZINC000366788873 555934351 /nfs/dbraw/zinc/93/43/51/555934351.db2.gz MBEZQEQAJSVUBS-IBGZPJMESA-N 1 0 360.417 2.465 20 30 FEEDRO CCOC(=O)[C@H](C)[C@H](C)[NH2+][C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000514245207 561965501 /nfs/dbraw/zinc/96/55/01/561965501.db2.gz TZCURTYAASACEP-UGLNBPRTSA-N 1 0 351.491 2.483 20 30 FEEDRO COc1cc(C[NH2+]C2CCN(c3ccc(C#N)cn3)CC2)cc(OC)c1O ZINC000367369342 556030252 /nfs/dbraw/zinc/03/02/52/556030252.db2.gz BXNUBNRZGDZGFC-UHFFFAOYSA-N 1 0 368.437 2.435 20 30 FEEDRO N#Cc1ccc(S(N)(=O)=O)cc1NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000367418145 556043160 /nfs/dbraw/zinc/04/31/60/556043160.db2.gz JTXRCRKALKQEJV-KRWDZBQOSA-N 1 0 370.478 2.282 20 30 FEEDRO Cc1ccc(C#N)cc1NC(=O)N1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000367454802 556054232 /nfs/dbraw/zinc/05/42/32/556054232.db2.gz WVPRQKUVDQWMSI-MRXNPFEDSA-N 1 0 355.486 2.499 20 30 FEEDRO CN(CCC#N)c1ccc(CN2CCC[C@H]2C[N@@H+]2CCC[C@@H]2CO)cc1 ZINC000367467112 556058145 /nfs/dbraw/zinc/05/81/45/556058145.db2.gz IJWPFMHFPARARN-LEWJYISDSA-N 1 0 356.514 2.458 20 30 FEEDRO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1cccc(-c2cnn(C)c2)c1 ZINC000367546792 556079666 /nfs/dbraw/zinc/07/96/66/556079666.db2.gz MZBQVYYURMZVSD-MRXNPFEDSA-N 1 0 373.464 2.459 20 30 FEEDRO N#Cc1cc(S(=O)(=O)N2CC[C@@]3(CCC[C@@H]3[NH3+])C2)ccc1C(F)(F)F ZINC000367702412 556118503 /nfs/dbraw/zinc/11/85/03/556118503.db2.gz CNDLOYIMRGMWGH-GJZGRUSLSA-N 1 0 373.400 2.469 20 30 FEEDRO C=CCCC[C@@H](C)NC(=O)N(C)C1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000367752450 556130567 /nfs/dbraw/zinc/13/05/67/556130567.db2.gz GUNCPHUMIQJQDD-QGZVFWFLSA-N 1 0 364.534 2.459 20 30 FEEDRO C=CCCC[C@H](C)NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000367788135 556139623 /nfs/dbraw/zinc/13/96/23/556139623.db2.gz WCPUZLMAVPQACT-XYTVBORESA-N 1 0 350.507 2.114 20 30 FEEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CC[C@@H](CC(N)=O)C3)sc2C1 ZINC000367987554 556188702 /nfs/dbraw/zinc/18/87/02/556188702.db2.gz FTXGFCFIOOMGTM-OLZOCXBDSA-N 1 0 374.510 2.270 20 30 FEEDRO CN(CCC#N)c1ccc(C[NH2+][C@H]2CCN(C(=O)c3ccncc3)C2)cc1 ZINC000368459649 556316138 /nfs/dbraw/zinc/31/61/38/556316138.db2.gz ZKOSBPRXSMJLNC-IBGZPJMESA-N 1 0 363.465 2.436 20 30 FEEDRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C(=O)Nc1cccc(C#N)n1 ZINC000515351110 562006599 /nfs/dbraw/zinc/00/65/99/562006599.db2.gz DXFBOSDHFPVIER-UHFFFAOYSA-N 1 0 365.437 2.002 20 30 FEEDRO N#CC[C@@H]1C[C@H]2[C@H](CCC[C@H]2[NH2+]CCn2cc(Br)cn2)O1 ZINC000368602333 556359203 /nfs/dbraw/zinc/35/92/03/556359203.db2.gz JLTQOMXWVBHGCW-TUVASFSCSA-N 1 0 353.264 2.475 20 30 FEEDRO N#CC[C@@H]1C[C@H]2[C@H](CCC[C@H]2[NH2+]C[C@@H](N2CCOCC2)C(F)(F)F)O1 ZINC000368617887 556364381 /nfs/dbraw/zinc/36/43/81/556364381.db2.gz YPBIONSYVCSOPD-DGXTUMSLSA-N 1 0 361.408 2.079 20 30 FEEDRO N#Cc1ccc(C2(C(=O)NC[C@@H]3CCC[C@H]3[NH+]3CCOCC3)CC2)cc1 ZINC000368723776 556398015 /nfs/dbraw/zinc/39/80/15/556398015.db2.gz XFMITFKPTZQTMW-PKOBYXMFSA-N 1 0 353.466 2.207 20 30 FEEDRO CN(C(=O)COc1ccccc1C#N)C1CCN(c2cc[nH+]cc2)CC1 ZINC000368932561 556452011 /nfs/dbraw/zinc/45/20/11/556452011.db2.gz SJRDBXCLPIPJQA-UHFFFAOYSA-N 1 0 350.422 2.459 20 30 FEEDRO N#C[C@H]1CN(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)CCN1C1CC1 ZINC000369218226 556538499 /nfs/dbraw/zinc/53/84/99/556538499.db2.gz GUBNQRGDKKUDMT-ROUUACIJSA-N 1 0 371.485 2.188 20 30 FEEDRO Cc1ccc([C@@H](CNC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)[NH+]2CCCC2)o1 ZINC000369228074 556541699 /nfs/dbraw/zinc/54/16/99/556541699.db2.gz CUXGCMZSILKOQL-ZWKOTPCHSA-N 1 0 371.485 2.107 20 30 FEEDRO C=CCOc1ccc(C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1OC ZINC000369275595 556561103 /nfs/dbraw/zinc/56/11/03/556561103.db2.gz XYIZELQPWHIUIU-KRWDZBQOSA-N 1 0 373.497 2.158 20 30 FEEDRO Cc1ccc(C)c(OC[C@H](O)C[NH+]2CCC(n3cnc(C#N)n3)CC2)c1C ZINC000369388632 556587279 /nfs/dbraw/zinc/58/72/79/556587279.db2.gz HCVXPUUNMYHDED-GOSISDBHSA-N 1 0 369.469 2.152 20 30 FEEDRO COc1ccc([C@@H]2[C@H](CNC(=O)N3CCO[C@H](C#N)C3)CCC[N@@H+]2C)cc1 ZINC000369399112 556590689 /nfs/dbraw/zinc/59/06/89/556590689.db2.gz ADZMNSFIFGGZBI-QXAKKESOSA-N 1 0 372.469 2.012 20 30 FEEDRO CC(=O)N1CCCCC[C@H]1C1CC[NH+]([C@@H](C)C(=O)N(C)CCC#N)CC1 ZINC000369515077 556616537 /nfs/dbraw/zinc/61/65/37/556616537.db2.gz GWCCTVRYMZUUAU-LPHOPBHVSA-N 1 0 362.518 2.250 20 30 FEEDRO CC[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)C(=O)Nc1ccc(CC#N)cc1 ZINC000369523963 556619519 /nfs/dbraw/zinc/61/95/19/556619519.db2.gz YBYZLEUHJQWRMW-MSOLQXFVSA-N 1 0 354.454 2.166 20 30 FEEDRO C#CCNC(=O)c1ccc(NC[C@H]2CC[N@@H+](C)[C@@H]2c2cccs2)nc1 ZINC000369561386 556631508 /nfs/dbraw/zinc/63/15/08/556631508.db2.gz PAUPTKKTTRXFGP-KDOFPFPSSA-N 1 0 354.479 2.611 20 30 FEEDRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000369863550 556716086 /nfs/dbraw/zinc/71/60/86/556716086.db2.gz WEPWFWVIWMLFHZ-MISYRCLQSA-N 1 0 369.513 2.104 20 30 FEEDRO C[C@@H](CCNC(=O)N1CCN(C2CC2)[C@H](C#N)C1)[N@H+](C)Cc1ccccc1 ZINC000369986819 556749806 /nfs/dbraw/zinc/74/98/06/556749806.db2.gz PVLVUTHTPGWPOG-FXAWDEMLSA-N 1 0 369.513 2.279 20 30 FEEDRO N#Cc1ccc(CNC(=O)C[N@H+]2CCC[C@@]2(CO)Cc2ccccc2)cc1 ZINC000370008517 556756312 /nfs/dbraw/zinc/75/63/12/556756312.db2.gz ORCHUASERVMXGD-QFIPXVFZSA-N 1 0 363.461 2.244 20 30 FEEDRO N#CCCN(C(=O)CN1CC[NH+]([C@@H]2CCSC2)CC1)c1ccccc1 ZINC000370403873 556861674 /nfs/dbraw/zinc/86/16/74/556861674.db2.gz CLOWSZCNKRAEBJ-GOSISDBHSA-N 1 0 358.511 2.056 20 30 FEEDRO N#C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)CCN1C1CC1 ZINC000370990709 557038409 /nfs/dbraw/zinc/03/84/09/557038409.db2.gz IGVNHTFQZUOUPE-YLJYHZDGSA-N 1 0 370.472 2.236 20 30 FEEDRO C#CCOc1ccc([C@H](C)[NH2+]C[C@]2(N3CCOCC3)CCCOC2)cc1 ZINC000371282425 557130782 /nfs/dbraw/zinc/13/07/82/557130782.db2.gz GWIZJHSUSIUOHM-GHTZIAJQSA-N 1 0 358.482 2.231 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]C[C@@H](O)COc1cccc(Br)c1 ZINC000517359758 562086889 /nfs/dbraw/zinc/08/68/89/562086889.db2.gz PDNPCEFLWZZBBU-BJJXKVORSA-N 1 0 356.260 2.370 20 30 FEEDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000371335250 557150925 /nfs/dbraw/zinc/15/09/25/557150925.db2.gz JXIVYJKKLGBKOU-FQEVSTJZSA-N 1 0 368.481 2.468 20 30 FEEDRO C[C@@H]1CN(C(=O)NCCOc2ccc(C#N)cc2)CC[N@@H+](C2CCC2)C1 ZINC000517469407 562090825 /nfs/dbraw/zinc/09/08/25/562090825.db2.gz KKQSXIWEEGYARC-INIZCTEOSA-N 1 0 356.470 2.453 20 30 FEEDRO N#C[C@@H]1CN(Cc2c[nH]nc2-c2cccnc2)C[C@]12C(=O)Nc1ccccc12 ZINC000371465927 557190013 /nfs/dbraw/zinc/19/00/13/557190013.db2.gz JNEQBGFMGHDCTG-IERDGZPVSA-N 1 0 370.416 2.317 20 30 FEEDRO Cn1cc([C@@H]2[C@@H](CNC(=O)c3c(F)cc(C#N)cc3F)CCC[N@@H+]2C)cn1 ZINC000371897220 557323498 /nfs/dbraw/zinc/32/34/98/557323498.db2.gz KMXHRTLKDPSYLC-ACJLOTCBSA-N 1 0 373.407 2.383 20 30 FEEDRO N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCCN(c3cncc(F)c3)CC2)cc1 ZINC000371985695 557346867 /nfs/dbraw/zinc/34/68/67/557346867.db2.gz VFIZJZHKVUKPMZ-IBGZPJMESA-N 1 0 370.428 2.044 20 30 FEEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)C1C[C@H]2CC[C@@H](C1)C2=O ZINC000372105817 557381625 /nfs/dbraw/zinc/38/16/25/557381625.db2.gz RDVYDPINPWTIMI-DFNIBXOVSA-N 1 0 353.466 2.454 20 30 FEEDRO CC[N@@H+]1CCC[C@@H](NC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)C1 ZINC000518835955 562119601 /nfs/dbraw/zinc/11/96/01/562119601.db2.gz UCQSTGSSFSKEQO-SJORKVTESA-N 1 0 373.476 2.450 20 30 FEEDRO C#CCNC(=O)[C@@H](C)[NH+]1CCC([C@H]2CCCCCN2C(=O)C2CC2)CC1 ZINC000372586760 557513123 /nfs/dbraw/zinc/51/31/23/557513123.db2.gz UGYGWJVSWKEHCS-VQIMIIECSA-N 1 0 359.514 2.018 20 30 FEEDRO CC(C)(C#N)c1ccccc1CN1C(=O)N[C@@]2(CCCC[C@@H]2C[NH3+])C1=O ZINC000519713722 562141103 /nfs/dbraw/zinc/14/11/03/562141103.db2.gz OBYOIRHNDBIMDV-FOIQADDNSA-N 1 0 354.454 2.427 20 30 FEEDRO COc1cc(/C=C/C(=O)N2CC[C@@H]3CC[N@H+](C)[C@H]3C2)ccc1OCC#N ZINC000372983809 557603513 /nfs/dbraw/zinc/60/35/13/557603513.db2.gz VIIDAJNOXHERCZ-XQTSXYSPSA-N 1 0 355.438 2.163 20 30 FEEDRO C[NH+]1CCC(n2ccc(=NC(=O)CSCc3ccc(C#N)cc3)[nH]2)CC1 ZINC000373245079 557657813 /nfs/dbraw/zinc/65/78/13/557657813.db2.gz SETZQEGPPOBAJL-UHFFFAOYSA-N 1 0 369.494 2.893 20 30 FEEDRO CC(C)N(Cc1ccccc1)C(=O)C[NH+]1CCC(n2cnc(C#N)n2)CC1 ZINC000373397481 557686292 /nfs/dbraw/zinc/68/62/92/557686292.db2.gz AVVRPWLUBUKXQY-UHFFFAOYSA-N 1 0 366.469 2.224 20 30 FEEDRO C=CCN(C(=O)NCc1noc(C)n1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000373503465 557706261 /nfs/dbraw/zinc/70/62/61/557706261.db2.gz DRSZRLJHSTWBAY-KRWDZBQOSA-N 1 0 355.442 2.350 20 30 FEEDRO CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000373965154 557797674 /nfs/dbraw/zinc/79/76/74/557797674.db2.gz NVJHDYZMNAWXKK-HSALFYBXSA-N 1 0 366.465 2.139 20 30 FEEDRO N#CC1(CCC[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCOCC1 ZINC000520955677 562166402 /nfs/dbraw/zinc/16/64/02/562166402.db2.gz GAMLPPVSNYLMKV-UHFFFAOYSA-N 1 0 359.430 2.212 20 30 FEEDRO CC(C)(C)OC(=O)N1CC[C@](C)(C[NH+]2CCC(n3cnc(C#N)n3)CC2)C1 ZINC000374224168 557846190 /nfs/dbraw/zinc/84/61/90/557846190.db2.gz HQGLVGJEPLFLDF-LJQANCHMSA-N 1 0 374.489 2.434 20 30 FEEDRO C=CCN1C(=O)c2ccc(C(=O)NC3CC[NH+](CCCC)CC3)cc2C1=O ZINC000521039963 562168225 /nfs/dbraw/zinc/16/82/25/562168225.db2.gz WGSUXCGFPQQRJM-UHFFFAOYSA-N 1 0 369.465 2.463 20 30 FEEDRO N#Cc1cccc(OCCC[N@H+]2CCC[C@@H]2C(=O)NCC2CCOCC2)c1 ZINC000374387677 557876567 /nfs/dbraw/zinc/87/65/67/557876567.db2.gz JRNJQWZKQYFSSE-HXUWFJFHSA-N 1 0 371.481 2.334 20 30 FEEDRO C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000374410827 557880450 /nfs/dbraw/zinc/88/04/50/557880450.db2.gz IYMRAHVIZORJHK-OYSPMZIOSA-N 1 0 357.454 2.036 20 30 FEEDRO CCN(C[C@H](C)C#N)S(=O)(=O)N1CCC([N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000374456531 557886373 /nfs/dbraw/zinc/88/63/73/557886373.db2.gz MYEMAJCZWCRTMP-IXDOHACOSA-N 1 0 370.563 2.155 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@H]2CCc3ccccc3OC2)cc1 ZINC000374628736 557908810 /nfs/dbraw/zinc/90/88/10/557908810.db2.gz UBYAFVYEMZWCHT-KRWDZBQOSA-N 1 0 356.447 2.315 20 30 FEEDRO C=CCN1CC[C@H]([NH2+][C@@H]2CCN(C3CC3)[C@H]2c2cccc(OC)c2)C1=O ZINC000374845479 557939791 /nfs/dbraw/zinc/93/97/91/557939791.db2.gz WNSMRPARZLJESR-AABGKKOBSA-N 1 0 355.482 2.350 20 30 FEEDRO CC(C)CC(=O)NCCC(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000374892623 557946908 /nfs/dbraw/zinc/94/69/08/557946908.db2.gz KGWRWUFXNSLHBX-UHFFFAOYSA-N 1 0 370.497 2.213 20 30 FEEDRO CN1CC[NH+](CC2(C)CCN(C(=O)c3ccccc3OCC#N)CC2)CC1 ZINC000374967737 557957653 /nfs/dbraw/zinc/95/76/53/557957653.db2.gz GOPRZNPKXISQOK-UHFFFAOYSA-N 1 0 370.497 2.079 20 30 FEEDRO CN(CCC#N)c1ccc(C[N@@H+]2C[C@@H](C(N)=O)[C@H](C(F)(F)F)C2)cc1 ZINC000375401798 558021186 /nfs/dbraw/zinc/02/11/86/558021186.db2.gz QCICKUFFFZIATI-HUUCEWRRSA-N 1 0 354.376 2.132 20 30 FEEDRO COc1cc(C#N)ccc1OCC[NH2+][C@H]1CCCC[C@H]1N1CCOCC1 ZINC000375471066 558033287 /nfs/dbraw/zinc/03/32/87/558033287.db2.gz GJOADKGWJRLVPZ-ZWKOTPCHSA-N 1 0 359.470 2.179 20 30 FEEDRO Cc1ncc(CN2CC[C@@H]([NH2+]CCC(=O)N(C)CCC#N)[C@@H](C)C2)s1 ZINC000375509065 558040385 /nfs/dbraw/zinc/04/03/85/558040385.db2.gz KBYAZLDOUJCYEQ-WMLDXEAASA-N 1 0 363.531 2.014 20 30 FEEDRO C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCC[C@H](NC(=O)OC(C)(C)C)[C@H]3C2)C1=O ZINC000375610461 558056618 /nfs/dbraw/zinc/05/66/18/558056618.db2.gz GHWOHGIJERRIAP-QAETUUGQSA-N 1 0 363.502 2.399 20 30 FEEDRO CCOC(=O)N1CCC([NH2+]C2CCN(c3ccc(C#N)cn3)CC2)CC1 ZINC000375844888 558088395 /nfs/dbraw/zinc/08/83/95/558088395.db2.gz XDCDOFFTLUKDQM-UHFFFAOYSA-N 1 0 357.458 2.133 20 30 FEEDRO CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)/C=C/c3ccccc3C#N)C2)CC1 ZINC000375879596 558093043 /nfs/dbraw/zinc/09/30/43/558093043.db2.gz IJZACJUVSCOZFE-AQKVLALTSA-N 1 0 352.482 2.198 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+]C[C@H]2SCCc3ccccc32)nc1 ZINC000521612196 562180156 /nfs/dbraw/zinc/18/01/56/562180156.db2.gz KQWYMMXVDXTLME-QGZVFWFLSA-N 1 0 373.503 2.347 20 30 FEEDRO N#Cc1ccc(CN2CCC([NH2+]C[C@H]3CN4CCCC[C@@H]4CO3)CC2)cc1 ZINC000376178698 558137228 /nfs/dbraw/zinc/13/72/28/558137228.db2.gz SVWJWZUPAIKIKP-YADHBBJMSA-N 1 0 368.525 2.366 20 30 FEEDRO CCC[NH+]1CCC(N2CCN(c3cc(N)c([N+](=O)[O-])c(C#N)c3)CC2)CC1 ZINC000376186821 558138241 /nfs/dbraw/zinc/13/82/41/558138241.db2.gz JCGKNHFOFQIHCS-UHFFFAOYSA-N 1 0 372.473 2.045 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCNC(=O)[C@H]2c2ccccc2C)CC1 ZINC000376297265 558153894 /nfs/dbraw/zinc/15/38/94/558153894.db2.gz YHWUWLGRJXTFLO-LJQANCHMSA-N 1 0 370.497 2.218 20 30 FEEDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000376348878 558161547 /nfs/dbraw/zinc/16/15/47/558161547.db2.gz HNUMEZRHROOZSZ-WBMJQRKESA-N 1 0 353.875 2.459 20 30 FEEDRO CC(C)[C@](C)(C#N)NC(=O)CN1CCC2(C[C@@H]2C(=O)N2CCCCC2)CC1 ZINC000376641021 558201995 /nfs/dbraw/zinc/20/19/95/558201995.db2.gz IHRYGACNCMRLOC-XLIONFOSSA-N 1 0 374.529 2.155 20 30 FEEDRO CC(C)(C#N)c1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000377427113 558338168 /nfs/dbraw/zinc/33/81/68/558338168.db2.gz QAVKJJCVALIPOL-IAGOWNOFSA-N 1 0 354.454 2.169 20 30 FEEDRO CC(C)(C#N)c1ccc(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000377427114 558338248 /nfs/dbraw/zinc/33/82/48/558338248.db2.gz QAVKJJCVALIPOL-IRXDYDNUSA-N 1 0 354.454 2.169 20 30 FEEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1CC(=O)NCc1cccc(C#N)c1 ZINC000522096457 562191294 /nfs/dbraw/zinc/19/12/94/562191294.db2.gz DDKJOQYKUZNZRK-GOSISDBHSA-N 1 0 362.477 2.381 20 30 FEEDRO C#CC[C@]1(C(=O)NCC2CC[NH+](C)CC2)CCCN1C(=O)OC(C)(C)C ZINC000377716504 558404406 /nfs/dbraw/zinc/40/44/06/558404406.db2.gz MKLVXRRAAJBJAC-HXUWFJFHSA-N 1 0 363.502 2.237 20 30 FEEDRO N#CC1(NC(=O)CN2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)CCC1 ZINC000377771267 558416783 /nfs/dbraw/zinc/41/67/83/558416783.db2.gz FPLHVLNAVRRDQG-RTBURBONSA-N 1 0 352.482 2.003 20 30 FEEDRO C[NH+]1CCC2(CCCN2S(=O)(=O)c2c(F)cc(C#N)cc2F)CC1 ZINC000378336184 558532479 /nfs/dbraw/zinc/53/24/79/558532479.db2.gz UQMFWKMWPDITLF-UHFFFAOYSA-N 1 0 355.410 2.085 20 30 FEEDRO C#CCNC(=O)C1CC[NH+](Cc2c[nH]nc2-c2c(F)cccc2F)CC1 ZINC000378349243 558535283 /nfs/dbraw/zinc/53/52/83/558535283.db2.gz JCTWTSIOIMWVGR-UHFFFAOYSA-N 1 0 358.392 2.316 20 30 FEEDRO CCc1nc(CN2C[C@@H]3C[NH+](Cc4ccc(C#N)cc4OC)C[C@H]3C2)no1 ZINC000378363947 558539733 /nfs/dbraw/zinc/53/97/33/558539733.db2.gz ZIAHOSHTVNLLEP-IRXDYDNUSA-N 1 0 367.453 2.076 20 30 FEEDRO N#CC1(NC(=O)[C@H]2CCc3n[nH]cc3C2)CC[NH+](Cc2ccccc2)CC1 ZINC000378499961 558570915 /nfs/dbraw/zinc/57/09/15/558570915.db2.gz WTTNGKRBSSCNMM-KRWDZBQOSA-N 1 0 363.465 2.189 20 30 FEEDRO C[C@H](CN(C)Cc1ccccc1)[NH2+]CCS(=O)(=O)c1cccc(C#N)c1 ZINC000388532332 558608595 /nfs/dbraw/zinc/60/85/95/558608595.db2.gz OOZOZQUAVISRGV-QGZVFWFLSA-N 1 0 371.506 2.442 20 30 FEEDRO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]C[C@@H](O)COc1ccccc1C#N ZINC000389825719 558609728 /nfs/dbraw/zinc/60/97/28/558609728.db2.gz QHDYRZRWWCRYMP-UIFIKXQLSA-N 1 0 365.477 2.408 20 30 FEEDRO Cc1ncc(S(=O)(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1C#N ZINC000389949559 558609863 /nfs/dbraw/zinc/60/98/63/558609863.db2.gz RSAUWFRXNQWRSH-IFXJQAMLSA-N 1 0 370.478 2.061 20 30 FEEDRO C[C@@H]1CCC[C@](C[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)(N(C)C)C1 ZINC000392795322 558618966 /nfs/dbraw/zinc/61/89/66/558618966.db2.gz QPVQEMJPHLALDH-APWZRJJASA-N 1 0 363.527 2.432 20 30 FEEDRO N#Cc1ccnc(NCC2(O)CC[NH+](Cc3ccccc3)CC2)c1Cl ZINC000397667890 558624968 /nfs/dbraw/zinc/62/49/68/558624968.db2.gz GMSOQXINYBJVHI-UHFFFAOYSA-N 1 0 356.857 3.046 20 30 FEEDRO CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NS(=O)(=O)c1cncc(C#N)c1 ZINC000398169456 558626080 /nfs/dbraw/zinc/62/60/80/558626080.db2.gz NWHDTNWJRXTZED-IBGZPJMESA-N 1 0 372.494 2.388 20 30 FEEDRO C[C@@H](C(=O)NC[C@H](c1ccccc1)[NH+]1CCC(C)CC1)n1cnc(C#N)n1 ZINC000409491556 558696707 /nfs/dbraw/zinc/69/67/07/558696707.db2.gz AEWDJPMCAJUERV-FUHWJXTLSA-N 1 0 366.469 2.300 20 30 FEEDRO CCN(C[C@@H](C)C#N)S(=O)(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000409531911 558700836 /nfs/dbraw/zinc/70/08/36/558700836.db2.gz ATPLNWJRTVPRRQ-INIZCTEOSA-N 1 0 364.515 2.098 20 30 FEEDRO CCN(C[C@@H](C)C#N)S(=O)(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000409554796 558702888 /nfs/dbraw/zinc/70/28/88/558702888.db2.gz UHHIKOMMKZXTET-KRWDZBQOSA-N 1 0 370.563 2.491 20 30 FEEDRO C[C@H](C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)n1cnc(C#N)n1 ZINC000409747424 558718333 /nfs/dbraw/zinc/71/83/33/558718333.db2.gz MZVPQNLNRXQTTN-JFIYKMOQSA-N 1 0 366.469 2.222 20 30 FEEDRO C[C@@H](C(=O)Nc1ccc(OCC[N@@H+]2CC[C@@H](C)C2)cc1)n1cnc(C#N)n1 ZINC000409777056 558719401 /nfs/dbraw/zinc/71/94/01/558719401.db2.gz YFZSJARLZQRMBT-CABCVRRESA-N 1 0 368.441 2.070 20 30 FEEDRO C[NH+](C)CC1CCN(C(=O)C(=O)Nc2ccccc2SCCC#N)CC1 ZINC000524676358 562232049 /nfs/dbraw/zinc/23/20/49/562232049.db2.gz QRDHYSBATBQKDO-UHFFFAOYSA-N 1 0 374.510 2.431 20 30 FEEDRO C=CCCN(C)C(=O)C(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000410837999 558815522 /nfs/dbraw/zinc/81/55/22/558815522.db2.gz ABZQTSYWBORGIZ-NRFANRHFSA-N 1 0 355.482 2.146 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2c3c(ccc2OC)CCC3)CC1 ZINC000411222609 558855690 /nfs/dbraw/zinc/85/56/90/558855690.db2.gz HGUFTCIPZIHPKK-UHFFFAOYSA-N 1 0 371.481 2.279 20 30 FEEDRO C=CC(C)(C)CNC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(F)c1 ZINC000411575777 558921001 /nfs/dbraw/zinc/92/10/01/558921001.db2.gz NTQMPBMIADWKGH-UHFFFAOYSA-N 1 0 351.422 2.033 20 30 FEEDRO C[N@@H+]1CCC[C@H](CCNC(=O)C(=O)Nc2ccccc2SCCC#N)C1 ZINC000411681309 558943120 /nfs/dbraw/zinc/94/31/20/558943120.db2.gz YUTGPOHVSOQHJP-OAHLLOKOSA-N 1 0 374.510 2.479 20 30 FEEDRO CCOC(=O)[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCN(c2sccc2C#N)C1=O ZINC000411781781 558962045 /nfs/dbraw/zinc/96/20/45/558962045.db2.gz CLQYBHBGYKCYTI-ILXRZTDVSA-N 1 0 361.467 2.437 20 30 FEEDRO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](CCC(=O)OC(C)(C)C)C1 ZINC000412074429 559010039 /nfs/dbraw/zinc/01/00/39/559010039.db2.gz RAANSCVBXUFFFC-HUUCEWRRSA-N 1 0 367.490 2.221 20 30 FEEDRO COc1cc(CNC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)ccc1C#N ZINC000412353144 559030232 /nfs/dbraw/zinc/03/02/32/559030232.db2.gz FVUIVHVYGMTNKC-QGZVFWFLSA-N 1 0 359.495 2.401 20 30 FEEDRO COC(=O)[C@@H]1CC[C@H](C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)C1 ZINC000413180771 559086020 /nfs/dbraw/zinc/08/60/20/559086020.db2.gz PNVIDHWZEKRFTK-ZWKOTPCHSA-N 1 0 357.454 2.038 20 30 FEEDRO C=CC[C@@H](Cc1ccccc1)NC(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC000413825456 559132955 /nfs/dbraw/zinc/13/29/55/559132955.db2.gz GGEKKUPIQSGQLU-FQEVSTJZSA-N 1 0 358.530 2.453 20 30 FEEDRO COc1ccc(C[C@@H](C)[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cn1 ZINC000414140685 559150666 /nfs/dbraw/zinc/15/06/66/559150666.db2.gz RDKKPMKFZRFYCP-BEFAXECRSA-N 1 0 364.449 2.284 20 30 FEEDRO C=CCOc1c(Br)cc(C[NH2+]C[C@H]2CNC(=O)C2)cc1OC ZINC000414479251 559167946 /nfs/dbraw/zinc/16/79/46/559167946.db2.gz GYRMMYRFJAULAP-LBPRGKRZSA-N 1 0 369.259 2.248 20 30 FEEDRO CCOc1ccc(C#N)cc1NC(=O)N1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000415028565 559201337 /nfs/dbraw/zinc/20/13/37/559201337.db2.gz YWVGTUNBWKTDOY-HNNXBMFYSA-N 1 0 358.442 2.176 20 30 FEEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)NCCCN1CC[NH2+]CC1 ZINC000415170105 559211585 /nfs/dbraw/zinc/21/15/85/559211585.db2.gz WQKUOTXEQSPVBM-HNNXBMFYSA-N 1 0 361.515 2.498 20 30 FEEDRO CC(C)Oc1ccc(NC(=O)C(=O)NCC2([NH3+])CCCCCC2)cc1C#N ZINC000415308766 559222967 /nfs/dbraw/zinc/22/29/67/559222967.db2.gz PTSHSMBNGHVWDO-UHFFFAOYSA-N 1 0 372.469 2.452 20 30 FEEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000415353314 559226683 /nfs/dbraw/zinc/22/66/83/559226683.db2.gz LMAMZFFBSVKAAT-ILXRZTDVSA-N 1 0 374.510 2.381 20 30 FEEDRO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000415424606 559234811 /nfs/dbraw/zinc/23/48/11/559234811.db2.gz IMUBFMJRUXDTLD-GFCCVEGCSA-N 1 0 356.348 2.005 20 30 FEEDRO CC(C)[C@@H](C(=O)OC(C)(C)C)N1CC[C@@H]([NH2+]CCC(C)(C)C#N)C1=O ZINC000527193830 562279590 /nfs/dbraw/zinc/27/95/90/562279590.db2.gz YJUJSMKJJCSMFF-CABCVRRESA-N 1 0 351.491 2.483 20 30 FEEDRO N#Cc1c(F)cccc1-n1ccc(NC(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)n1 ZINC000415443104 559237617 /nfs/dbraw/zinc/23/76/17/559237617.db2.gz QPZGMTWYCMCCBP-OKILXGFUSA-N 1 0 370.432 2.770 20 30 FEEDRO CC(C)C[C@@](C)(C[NH3+])NC(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 ZINC000415464615 559239930 /nfs/dbraw/zinc/23/99/30/559239930.db2.gz RPNDMSFNRKFPSA-SFHVURJKSA-N 1 0 358.421 2.768 20 30 FEEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000415469927 559240818 /nfs/dbraw/zinc/24/08/18/559240818.db2.gz XKAQEHPUHKVMBT-MGPQQGTHSA-N 1 0 360.483 2.073 20 30 FEEDRO N#Cc1ccc(Oc2ccc(NC(=O)C(=O)NC[C@@H]([NH3+])C3CC3)cc2)cc1 ZINC000415541346 559247728 /nfs/dbraw/zinc/24/77/28/559247728.db2.gz QUPQNZYOAYJCEB-GOSISDBHSA-N 1 0 364.405 2.143 20 30 FEEDRO CC(C)(C)c1csc(NC(=O)C(=O)NC[C@]2(C)CCC[NH2+]C2)c1C#N ZINC000415577744 559251753 /nfs/dbraw/zinc/25/17/53/559251753.db2.gz YFORPRJPOMXVDQ-GOSISDBHSA-N 1 0 362.499 2.362 20 30 FEEDRO CCCC[C@@H](C[NH3+])NC(=O)Nc1ccc(S(=O)(=O)[C@H](C)C#N)cc1 ZINC000415603711 559254392 /nfs/dbraw/zinc/25/43/92/559254392.db2.gz UIRROVIQHIACOM-OCCSQVGLSA-N 1 0 352.460 2.011 20 30 FEEDRO Cc1ccc(C#N)cc1NC(=O)C(=O)N(CCC[NH3+])Cc1ccccc1 ZINC000415666040 559259731 /nfs/dbraw/zinc/25/97/31/559259731.db2.gz VSBUKYLPRWDAFY-UHFFFAOYSA-N 1 0 350.422 2.183 20 30 FEEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000415685481 559261727 /nfs/dbraw/zinc/26/17/27/559261727.db2.gz GVMFZTAOAPQUMH-FZKQIMNGSA-N 1 0 360.483 2.217 20 30 FEEDRO CC(C)(C)c1cc(C#N)c(NC(=O)C(=O)N2CCC[C@H](CC[NH3+])C2)s1 ZINC000415687233 559261991 /nfs/dbraw/zinc/26/19/91/559261991.db2.gz JGSFVPRSGHQOLR-GFCCVEGCSA-N 1 0 362.499 2.443 20 30 FEEDRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000415738224 559266260 /nfs/dbraw/zinc/26/62/60/559266260.db2.gz GXRXMNXYWNYIPQ-UGSOOPFHSA-N 1 0 364.405 2.237 20 30 FEEDRO CN(C(=O)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)C1CC([NH3+])C1 ZINC000415784933 559270831 /nfs/dbraw/zinc/27/08/31/559270831.db2.gz GCTQUQHRPYQFRG-UHFFFAOYSA-N 1 0 364.405 2.237 20 30 FEEDRO CC(C)[C@@H]1CCc2c(sc(NC(=O)C(=O)N[C@H](C)[C@H](C)[NH3+])c2C#N)C1 ZINC000415800492 559272354 /nfs/dbraw/zinc/27/23/54/559272354.db2.gz FCMLNTULJHVLGR-QJPTWQEYSA-N 1 0 362.499 2.171 20 30 FEEDRO C=C(C)COc1cccc(NC(=O)C(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000415814182 559274265 /nfs/dbraw/zinc/27/42/65/559274265.db2.gz CXMCQMMYLURSSR-IAGOWNOFSA-N 1 0 371.481 2.428 20 30 FEEDRO C=C(C)COc1cccc(NC(=O)C(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000415814183 559274275 /nfs/dbraw/zinc/27/42/75/559274275.db2.gz CXMCQMMYLURSSR-IRXDYDNUSA-N 1 0 371.481 2.428 20 30 FEEDRO N#CCc1cccc(NC(=O)C(=O)N[C@H](CCC[NH3+])c2ccccc2)c1 ZINC000415827035 559275881 /nfs/dbraw/zinc/27/58/81/559275881.db2.gz FAXTXPRQSBEKLY-GOSISDBHSA-N 1 0 350.422 2.288 20 30 FEEDRO CCc1ccccc1[C@@H]([NH3+])CNC(=O)C(=O)Nc1cccc(C#N)c1C ZINC000415833357 559276593 /nfs/dbraw/zinc/27/65/93/559276593.db2.gz HQBBGXTWVPLBDE-KRWDZBQOSA-N 1 0 350.422 2.184 20 30 FEEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000415856081 559278993 /nfs/dbraw/zinc/27/89/93/559278993.db2.gz ZHWGJELUMXEUCO-ZNMIVQPWSA-N 1 0 374.510 2.463 20 30 FEEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000415859177 559279349 /nfs/dbraw/zinc/27/93/49/559279349.db2.gz AKKJQQCRHVKETJ-UONOGXRCSA-N 1 0 360.483 2.278 20 30 FEEDRO N#Cc1ccc(N2CCC[C@H](NC(=O)Nc3ccc(C[NH3+])cc3)C2=O)cc1 ZINC000415944960 559283719 /nfs/dbraw/zinc/28/37/19/559283719.db2.gz BMTIBSWXGXQLBE-SFHVURJKSA-N 1 0 363.421 2.334 20 30 FEEDRO C[C@@H]1CN(C(=O)CCCCOc2cccc(C#N)c2)[C@@H](C)C[N@@H+]1CCO ZINC000416287863 559302853 /nfs/dbraw/zinc/30/28/53/559302853.db2.gz CJKJGUORVAZELG-SJORKVTESA-N 1 0 359.470 2.021 20 30 FEEDRO C[C@H](C#N)S(=O)(=O)N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000416399226 559310123 /nfs/dbraw/zinc/31/01/23/559310123.db2.gz OGHFTFDQAYFGBS-BXUZGUMPSA-N 1 0 361.389 2.111 20 30 FEEDRO C[NH2+][C@H]1CCCN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)C1 ZINC000417579983 559367619 /nfs/dbraw/zinc/36/76/19/559367619.db2.gz QIWHLNMFYKWJJI-JKSUJKDBSA-N 1 0 359.449 2.060 20 30 FEEDRO C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CCC(CC[NH2+]C)CC1 ZINC000419064992 559426877 /nfs/dbraw/zinc/42/68/77/559426877.db2.gz YNKDUVOALIDOJX-IBGZPJMESA-N 1 0 357.498 2.138 20 30 FEEDRO C[C@H](NC(=O)C(=O)NCC[NH2+]C1CCCCCC1)c1ccc(C#N)cc1 ZINC000419279920 559435170 /nfs/dbraw/zinc/43/51/70/559435170.db2.gz ILOYFKWNSSJLIH-HNNXBMFYSA-N 1 0 356.470 2.164 20 30 FEEDRO C[C@H](NC(=O)C(=O)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1)c1ccc(C#N)cc1 ZINC000419280555 559435216 /nfs/dbraw/zinc/43/52/16/559435216.db2.gz JJZDGOPCUNYXAQ-IPELMVKDSA-N 1 0 368.481 2.116 20 30 FEEDRO C[C@H]1CN(Cc2cccc(CNC(=O)NCC3(C#N)CCC3)c2)CCO1 ZINC000419428214 559441683 /nfs/dbraw/zinc/44/16/83/559441683.db2.gz AEOLGTZTSGILIA-INIZCTEOSA-N 1 0 356.470 2.400 20 30 FEEDRO C=CCC[C@H](NC(=O)C(=O)N[C@H]1CC[NH2+]C1)c1ccc(C(F)(F)F)cc1 ZINC000419474908 559444358 /nfs/dbraw/zinc/44/43/58/559444358.db2.gz NNFPMBPKXGQCPI-GJZGRUSLSA-N 1 0 369.387 2.307 20 30 FEEDRO N#CCC[C@H](NC(=O)C(=O)N[C@H](C[NH3+])C1CCCCC1)c1ccccc1 ZINC000419477979 559444475 /nfs/dbraw/zinc/44/44/75/559444475.db2.gz RZZXVULWFZKWQL-ZWKOTPCHSA-N 1 0 356.470 2.171 20 30 FEEDRO C=C(C)[C@H](NC(=O)C(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1)c1ccc(F)c(F)c1 ZINC000419668493 559452774 /nfs/dbraw/zinc/45/27/74/559452774.db2.gz AKWMEEVWZZJMTE-MRRJBJDNSA-N 1 0 365.424 2.284 20 30 FEEDRO N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)C(=O)NCC1([NH3+])CCCCC1 ZINC000419804667 559460258 /nfs/dbraw/zinc/46/02/58/559460258.db2.gz ONYWYFUKISWIGM-MSOLQXFVSA-N 1 0 368.481 2.063 20 30 FEEDRO C=CC[C@H]1N(C(=O)C(=O)NCCC[NH2+]Cc2cccnc2)CCCC1(C)C ZINC000419853140 559462297 /nfs/dbraw/zinc/46/22/97/559462297.db2.gz SAZPZAZTXWIUIL-GOSISDBHSA-N 1 0 372.513 2.271 20 30 FEEDRO CC(C)N(Cc1ccc(C#N)cc1)C(=O)C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000419916187 559464326 /nfs/dbraw/zinc/46/43/26/559464326.db2.gz DRLOCBPEAZBIHM-LJQANCHMSA-N 1 0 364.449 2.111 20 30 FEEDRO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CCC[C@H](CC(F)(F)F)C2)CC1 ZINC000420943271 559513246 /nfs/dbraw/zinc/51/32/46/559513246.db2.gz ICZXIHTUPAUKNQ-HZPDHXFCSA-N 1 0 374.451 2.343 20 30 FEEDRO CCOc1ccc(N(CCC#N)C(=O)CN(C)C[C@@H]2CCC[N@@H+]2C)cc1 ZINC000421004255 559518864 /nfs/dbraw/zinc/51/88/64/559518864.db2.gz NXPZWQBAMTWGPQ-SFHVURJKSA-N 1 0 358.486 2.358 20 30 FEEDRO CCOC(=O)c1c(NC(=O)N[C@H](C)C[NH+](CC)CC)c(C#N)cn1CC ZINC000421166857 559528202 /nfs/dbraw/zinc/52/82/02/559528202.db2.gz RDTRPRBIYBTASL-CYBMUJFWSA-N 1 0 363.462 2.408 20 30 FEEDRO CCOC(=O)c1c(NC(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)c(C#N)cn1CC ZINC000421169466 559528399 /nfs/dbraw/zinc/52/83/99/559528399.db2.gz BGYVJBOYBLKCHH-ZDUSSCGKSA-N 1 0 373.457 2.328 20 30 FEEDRO CC[NH+](CC)[C@H](CNC(=O)C(=O)NCC(C)(C)CC#N)c1ccsc1 ZINC000421512045 559544064 /nfs/dbraw/zinc/54/40/64/559544064.db2.gz CYDQPIAKNNZODJ-OAHLLOKOSA-N 1 0 364.515 2.303 20 30 FEEDRO C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)NCC[NH+]1CCC(C)CC1 ZINC000421528555 559544561 /nfs/dbraw/zinc/54/45/61/559544561.db2.gz ZTNIOYZGNXQPOT-LJQANCHMSA-N 1 0 357.498 2.138 20 30 FEEDRO CC[NH+](CC)CCCC1CCN(C(=O)C(=O)NCC(C)(C)CC#N)CC1 ZINC000422475317 559590629 /nfs/dbraw/zinc/59/06/29/559590629.db2.gz GCWQVNBOFFZODY-UHFFFAOYSA-N 1 0 364.534 2.403 20 30 FEEDRO C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000422520481 559592615 /nfs/dbraw/zinc/59/26/15/559592615.db2.gz BZTCRISTFOPWKL-VQTJNVASSA-N 1 0 371.525 2.384 20 30 FEEDRO C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)NC1CCC([NH+](C)C)CC1 ZINC000422538987 559593743 /nfs/dbraw/zinc/59/37/43/559593743.db2.gz HIZKZYJIPNYGGV-XBMUEBEBSA-N 1 0 357.498 2.279 20 30 FEEDRO C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000422543887 559594100 /nfs/dbraw/zinc/59/41/00/559594100.db2.gz PSAKUQYWARZEPR-RBUKOAKNSA-N 1 0 357.498 2.090 20 30 FEEDRO C[C@H](C(=O)NC1(C#N)CCC1)N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000527299131 562284281 /nfs/dbraw/zinc/28/42/81/562284281.db2.gz XUKGIYLPPYGEHG-OLZOCXBDSA-N 1 0 369.391 2.490 20 30 FEEDRO CCOC(=O)c1cnn(-c2cccc(NC(=O)[C@@H]([NH3+])CCCC#N)c2)c1C ZINC000424097496 559654685 /nfs/dbraw/zinc/65/46/85/559654685.db2.gz RBVVRCNODRDWDI-KRWDZBQOSA-N 1 0 369.425 2.317 20 30 FEEDRO COc1ccc(I)c(NC(=O)[C@@H]([NH3+])CCCC#N)c1 ZINC000424111214 559655258 /nfs/dbraw/zinc/65/52/58/559655258.db2.gz GQTTWWYLXIXTSB-NSHDSACASA-N 1 0 373.194 2.259 20 30 FEEDRO N#CCCC[C@H]([NH3+])C(=O)Nc1ccc2c(c1)CCN2C(=O)c1cccnc1 ZINC000424145736 559656134 /nfs/dbraw/zinc/65/61/34/559656134.db2.gz OJYLEVWQYRLHJS-KRWDZBQOSA-N 1 0 363.421 2.244 20 30 FEEDRO CCOc1ccccc1CN1CCN(C(=O)[C@H]([NH3+])CCCC#N)[C@@H](C)C1 ZINC000424178541 559656887 /nfs/dbraw/zinc/65/68/87/559656887.db2.gz WWCQRODFOROPDD-FUHWJXTLSA-N 1 0 358.486 2.139 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)[C@](C)([NH3+])c1ccc(Br)cc1 ZINC000424209453 559657916 /nfs/dbraw/zinc/65/79/16/559657916.db2.gz LOMJKTMQUMHYLO-HZUKXOBISA-N 1 0 353.260 2.330 20 30 FEEDRO CN1CC[NH+](CC2(C)CCN(c3c(C#N)cccc3[N+](=O)[O-])CC2)CC1 ZINC000425250185 559693274 /nfs/dbraw/zinc/69/32/74/559693274.db2.gz VRCBWOZCQLKCHP-UHFFFAOYSA-N 1 0 357.458 2.320 20 30 FEEDRO C[C@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000425378408 559698736 /nfs/dbraw/zinc/69/87/36/559698736.db2.gz BGZHHFXYMKHCTB-LZQZEXGQSA-N 1 0 368.481 2.020 20 30 FEEDRO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000425387510 559699407 /nfs/dbraw/zinc/69/94/07/559699407.db2.gz QRXJASSGTNVYPW-INIZCTEOSA-N 1 0 370.497 2.268 20 30 FEEDRO C=CCn1cc(CNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)nn1 ZINC000425469996 559703944 /nfs/dbraw/zinc/70/39/44/559703944.db2.gz FGMUZBQUSDKQHH-SJLPKXTDSA-N 1 0 368.485 2.316 20 30 FEEDRO C=CCn1cc(CNC(=O)N[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)nn1 ZINC000425484513 559704800 /nfs/dbraw/zinc/70/48/00/559704800.db2.gz JBZVUMRKCPMYBS-WMZOPIPTSA-N 1 0 368.485 2.174 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000425563366 559709895 /nfs/dbraw/zinc/70/98/95/559709895.db2.gz JAJSKNUGFAWZGD-OALUTQOASA-N 1 0 365.518 2.112 20 30 FEEDRO C[C@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000425883599 559723839 /nfs/dbraw/zinc/72/38/39/559723839.db2.gz MRCMABLJPUQGRW-IXDOHACOSA-N 1 0 370.497 2.314 20 30 FEEDRO C[C@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000425882334 559723940 /nfs/dbraw/zinc/72/39/40/559723940.db2.gz IEJVUTNOHGLALB-JLSDUUJJSA-N 1 0 356.470 2.067 20 30 FEEDRO C[C@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000425886979 559723978 /nfs/dbraw/zinc/72/39/78/559723978.db2.gz QXKKRNVASYVPGB-CRAIPNDOSA-N 1 0 368.481 2.211 20 30 FEEDRO C[C@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000425886665 559724060 /nfs/dbraw/zinc/72/40/60/559724060.db2.gz QIEJFYXGFFRODB-OAHLLOKOSA-N 1 0 356.470 2.068 20 30 FEEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1S[C@@H](C(N)=O)C(C)C ZINC000427119494 559748321 /nfs/dbraw/zinc/74/83/21/559748321.db2.gz JSECASZGTGCHFI-OAHLLOKOSA-N 1 0 351.520 2.095 20 30 FEEDRO N#Cc1cnc(C(=O)Nc2cccc(C[N@H+]3CC[C@H](O)C3)c2)c(Cl)c1 ZINC000428551341 559778069 /nfs/dbraw/zinc/77/80/69/559778069.db2.gz SJFIVMQGFQYWLF-HNNXBMFYSA-N 1 0 356.813 2.426 20 30 FEEDRO N#Cc1ccc(C(=O)NCCCC[NH+]2CCN(c3ccccc3)CC2)o1 ZINC000429907630 559808426 /nfs/dbraw/zinc/80/84/26/559808426.db2.gz ZYNOACMKRTYRPY-UHFFFAOYSA-N 1 0 352.438 2.483 20 30 FEEDRO CC[C@@H](C)[N@H+](C)CCNC(=O)Nc1ccc(S(=O)(=O)[C@H](C)C#N)cc1 ZINC000429926991 559808911 /nfs/dbraw/zinc/80/89/11/559808911.db2.gz BAUUICDUVTYRTF-ZIAGYGMSSA-N 1 0 366.487 2.224 20 30 FEEDRO COC(=O)COc1ccc(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1 ZINC000430177497 559814814 /nfs/dbraw/zinc/81/48/14/559814814.db2.gz MMDKFSSARZGBCT-SFHVURJKSA-N 1 0 367.405 2.158 20 30 FEEDRO C=CCN1C(=O)c2ccc(C(=O)N(CCC)C3CC[NH2+]CC3)cc2C1=O ZINC000430839279 559829065 /nfs/dbraw/zinc/82/90/65/559829065.db2.gz NWLONWPWSDJODQ-UHFFFAOYSA-N 1 0 355.438 2.073 20 30 FEEDRO Cc1cn2ccnc(C(=O)N(CC[NH+](C)C)Cc3ccc(C#N)cc3)c2n1 ZINC000431472355 559839878 /nfs/dbraw/zinc/83/98/78/559839878.db2.gz RDEOKYAGJZGFPE-UHFFFAOYSA-N 1 0 362.437 2.113 20 30 FEEDRO C[N@@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)CNc2cccc(C#N)c2)C1 ZINC000434465948 559901226 /nfs/dbraw/zinc/90/12/26/559901226.db2.gz CJTKFQRKOBMQQP-LJQANCHMSA-N 1 0 363.465 2.346 20 30 FEEDRO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N(C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000434748316 559908372 /nfs/dbraw/zinc/90/83/72/559908372.db2.gz RKZHOHSMQKIMLE-WBKMXMRLSA-N 1 0 371.529 2.449 20 30 FEEDRO C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1ccc(OCC(=O)NCC)c(OC)c1 ZINC000435740668 559929253 /nfs/dbraw/zinc/92/92/53/559929253.db2.gz FUFPWXNPAYOKED-OXJNMPFZSA-N 1 0 362.470 2.281 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000437993343 559972612 /nfs/dbraw/zinc/97/26/12/559972612.db2.gz DKNKMRLWBPTSJZ-HKUYNNGSSA-N 1 0 365.518 2.254 20 30 FEEDRO COc1cc(C[NH2+]CCCCN2C(=O)NC3(CCCC3)C2=O)ccc1C#N ZINC000440611159 560014978 /nfs/dbraw/zinc/01/49/78/560014978.db2.gz NNZOOEDYEIUKOU-UHFFFAOYSA-N 1 0 370.453 2.301 20 30 FEEDRO C[C@H](C#N)CN(C(=O)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1)C1CC1 ZINC000441892266 560040582 /nfs/dbraw/zinc/04/05/82/560040582.db2.gz AYVRGLBMDXMOQC-MRXNPFEDSA-N 1 0 368.481 2.414 20 30 FEEDRO O=C(Nc1cccc(C#Cc2ccccc2)c1)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000441994843 560042063 /nfs/dbraw/zinc/04/20/63/560042063.db2.gz XESWNKAAWCUSCO-FQEVSTJZSA-N 1 0 373.456 2.378 20 30 FEEDRO CN1CCC([NH+]2CCC(Nc3ccc(C(F)(F)F)c(C#N)n3)CC2)CC1 ZINC000443519132 560086337 /nfs/dbraw/zinc/08/63/37/560086337.db2.gz NNVOCEUGZAMXDD-UHFFFAOYSA-N 1 0 367.419 2.943 20 30 FEEDRO CC1(C)CCC[N@H+](CCNS(=O)(=O)Cc2ccc(C#N)cc2F)C1 ZINC000443955122 560097421 /nfs/dbraw/zinc/09/74/21/560097421.db2.gz BVIZGMCGUSPXIM-UHFFFAOYSA-N 1 0 353.463 2.239 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CC[C@@H](OCCOC)C1 ZINC000444749824 560119536 /nfs/dbraw/zinc/11/95/36/560119536.db2.gz VSPPXTSBWYYESP-HZPDHXFCSA-N 1 0 352.500 2.389 20 30 FEEDRO COc1ccc([C@@H](CNC(=O)Cc2ccc(C#N)nc2)[NH+]2CCCC2)cc1 ZINC000527669701 562299598 /nfs/dbraw/zinc/29/95/98/562299598.db2.gz KGIWISPDDYGPLC-HXUWFJFHSA-N 1 0 364.449 2.458 20 30 FEEDRO C[NH+](C)C1(CNC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)CCC1 ZINC000445876206 560136007 /nfs/dbraw/zinc/13/60/07/560136007.db2.gz UBAWUTQJEOPIER-UHFFFAOYSA-N 1 0 359.449 2.013 20 30 FEEDRO Cc1cc(NC(=O)Nc2cccc(OCC[NH+](C)C)c2)nn1CCC#N ZINC000446227732 560142282 /nfs/dbraw/zinc/14/22/82/560142282.db2.gz QHMUWXYWMJZCIR-UHFFFAOYSA-N 1 0 356.430 2.690 20 30 FEEDRO C[C@H](CC[NH+](C)C)NC(=O)NC1CCC(Oc2ncccc2C#N)CC1 ZINC000446510039 560146912 /nfs/dbraw/zinc/14/69/12/560146912.db2.gz GXRZGAIZADULAM-ODIFPOPNSA-N 1 0 359.474 2.283 20 30 FEEDRO COc1ccc([C@@H](CNC(=O)c2ccc(C#N)n2C)[NH+]2CCCC2)cc1 ZINC000448570033 560190354 /nfs/dbraw/zinc/19/03/54/560190354.db2.gz BNLUELZLDGEMCF-LJQANCHMSA-N 1 0 352.438 2.472 20 30 FEEDRO COCC[NH+]1CCC(NC(=O)c2cccc(C#N)c2Br)CC1 ZINC000448799571 560200134 /nfs/dbraw/zinc/20/01/34/560200134.db2.gz OFOWDVSNJXWPTD-UHFFFAOYSA-N 1 0 366.259 2.161 20 30 FEEDRO C[NH+]1CCC(CNC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1 ZINC000448860281 560203491 /nfs/dbraw/zinc/20/34/91/560203491.db2.gz OPJIQHKJXNJZGJ-OAHLLOKOSA-N 1 0 374.872 2.023 20 30 FEEDRO COCC[N@H+](C)CCOc1cccc(CNC(=O)c2cc(C#N)[nH]c2C)c1 ZINC000448890031 560205208 /nfs/dbraw/zinc/20/52/08/560205208.db2.gz FTZDTMRUPPOYNV-UHFFFAOYSA-N 1 0 370.453 2.082 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1cc(Cl)c(OCC(N)=O)c(OC)c1 ZINC000449548092 560233188 /nfs/dbraw/zinc/23/31/88/560233188.db2.gz LKQZMJWFNPULOC-KGLIPLIRSA-N 1 0 354.834 2.036 20 30 FEEDRO C[C@@H]1C[C@@H](NC(=O)COc2cccc(Br)c2C#N)CC[N@@H+]1C ZINC000449938644 560245782 /nfs/dbraw/zinc/24/57/82/560245782.db2.gz GLZJPYAZUYYHLT-NEPJUHHUSA-N 1 0 366.259 2.298 20 30 FEEDRO C[C@@H]1C[NH+](C)C[C@@H](C)N1C(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 ZINC000450241790 560255496 /nfs/dbraw/zinc/25/54/96/560255496.db2.gz MTJNBDUDTDNKSZ-NFAWXSAZSA-N 1 0 374.872 2.116 20 30 FEEDRO Cc1c(C#N)c(N2CCN(C(=O)C[NH+]3CCCC3)CC2)nc2ccccc12 ZINC000450316505 560258331 /nfs/dbraw/zinc/25/83/31/560258331.db2.gz RBCGSVIPQAQACC-UHFFFAOYSA-N 1 0 363.465 2.159 20 30 FEEDRO C=CCOc1ccc(CC(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)cc1 ZINC000450319481 560258511 /nfs/dbraw/zinc/25/85/11/560258511.db2.gz YWMDMAVZZVYGAZ-NQIIRXRSSA-N 1 0 371.525 2.278 20 30 FEEDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)COc1cccc(Br)c1C#N ZINC000450347682 560259381 /nfs/dbraw/zinc/25/93/81/560259381.db2.gz IRWQDADSQPYOHB-VXGBXAGGSA-N 1 0 366.259 2.251 20 30 FEEDRO C[C@@H]1[C@H](C)N(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC[N@H+]1C ZINC000450372883 560260373 /nfs/dbraw/zinc/26/03/73/560260373.db2.gz BBMQUBXHRKQDPJ-VNHYZAJKSA-N 1 0 374.872 2.116 20 30 FEEDRO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@H](CO)[C@@H]2CC)cc1 ZINC000451257693 560296358 /nfs/dbraw/zinc/29/63/58/560296358.db2.gz VUEPAEVTPPFIRF-APWZRJJASA-N 1 0 359.470 2.425 20 30 FEEDRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)CC1(CC#N)CC1 ZINC000451280196 560297840 /nfs/dbraw/zinc/29/78/40/560297840.db2.gz GHRVFQSRBMXUDM-SFHVURJKSA-N 1 0 361.511 2.464 20 30 FEEDRO CC(C)[C@@H](CO)[C@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)C(C)C ZINC000451597717 560316680 /nfs/dbraw/zinc/31/66/80/560316680.db2.gz NBBHKEBCWHDIPL-QZTJIDSGSA-N 1 0 352.500 2.211 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]CC(=O)N(C)Cc1cc(Br)cs1 ZINC000451606180 560317097 /nfs/dbraw/zinc/31/70/97/560317097.db2.gz MEFRQBHPPBRKAH-OLZOCXBDSA-N 1 0 359.289 2.402 20 30 FEEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH2+][C@@H]1CCC[C@H]1OC ZINC000451625020 560317937 /nfs/dbraw/zinc/31/79/37/560317937.db2.gz SYZFGOFRBJAXTC-IAGOWNOFSA-N 1 0 362.474 2.109 20 30 FEEDRO CC[N@@H+]1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)[C@@H](C)C1 ZINC000451678782 560321555 /nfs/dbraw/zinc/32/15/55/560321555.db2.gz NRBIYVODYJRFSZ-DZGCQCFKSA-N 1 0 374.872 2.117 20 30 FEEDRO C=CCNC(=O)NC(=O)C[NH+]1CCC(Cc2cc(F)cc(F)c2)CC1 ZINC000451931828 560338519 /nfs/dbraw/zinc/33/85/19/560338519.db2.gz VRBZFVWMMOJAHN-UHFFFAOYSA-N 1 0 351.397 2.231 20 30 FEEDRO CCN(CCC#N)S(=O)(=O)N1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000452020153 560345904 /nfs/dbraw/zinc/34/59/04/560345904.db2.gz STQJEYXBLUQRID-UHFFFAOYSA-N 1 0 358.552 2.299 20 30 FEEDRO C[N@H+](CC(=O)NCc1cccc(C#N)c1)C1CCN(CC(F)(F)F)CC1 ZINC000452042102 560347250 /nfs/dbraw/zinc/34/72/50/560347250.db2.gz SZMMSGKERLGEBU-UHFFFAOYSA-N 1 0 368.403 2.133 20 30 FEEDRO C=C(C)Cn1c(-c2nnn(C)c2C)nnc1N1CCC([NH+]2CCCC2)CC1 ZINC000453455588 560387155 /nfs/dbraw/zinc/38/71/55/560387155.db2.gz FKJPTWQREYOSQN-UHFFFAOYSA-N 1 0 370.505 2.023 20 30 FEEDRO CC[NH+](CC)CC1CCN(C(=O)C(=O)Nc2cccc(CC#N)c2)CC1 ZINC000453597423 560390281 /nfs/dbraw/zinc/39/02/81/560390281.db2.gz LPPWXSCNFMTBIS-UHFFFAOYSA-N 1 0 356.470 2.272 20 30 FEEDRO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1)C1CC1 ZINC000453640918 560392632 /nfs/dbraw/zinc/39/26/32/560392632.db2.gz HKGGWBIKWFZPQP-INIZCTEOSA-N 1 0 372.469 2.130 20 30 FEEDRO N#CCc1ccc(NC(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)c(Cl)c1 ZINC000453643252 560392747 /nfs/dbraw/zinc/39/27/47/560392747.db2.gz CLSIGUMCHHKFJV-OAHLLOKOSA-N 1 0 374.872 2.289 20 30 FEEDRO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 ZINC000453645207 560392904 /nfs/dbraw/zinc/39/29/04/560392904.db2.gz XMXKVTLMVFXRER-ZDUSSCGKSA-N 1 0 360.458 2.130 20 30 FEEDRO Cc1cc(C#N)cc(NC(=O)C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)c1 ZINC000453653722 560393709 /nfs/dbraw/zinc/39/37/09/560393709.db2.gz HKHZAFLXZTVVRK-QGZVFWFLSA-N 1 0 354.454 2.186 20 30 FEEDRO CC(C)(C)Oc1ccc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)cc1C#N ZINC000453655448 560393900 /nfs/dbraw/zinc/39/39/00/560393900.db2.gz SPZMOKNOWGQMLM-HNNXBMFYSA-N 1 0 370.453 2.027 20 30 FEEDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)Nc2ccc(C#N)c(C)n2)C1 ZINC000453678160 560396007 /nfs/dbraw/zinc/39/60/07/560396007.db2.gz RSCOVUQLJBTSAN-OAHLLOKOSA-N 1 0 371.485 2.217 20 30 FEEDRO C[C@@H]1C[C@H](N(C)C(=O)C(=O)Nc2ccc(CC#N)cc2Cl)CC[N@@H+]1C ZINC000453713420 560398995 /nfs/dbraw/zinc/39/89/95/560398995.db2.gz IFBARBBEZMUTEX-TZMCWYRMSA-N 1 0 362.861 2.286 20 30 FEEDRO C[NH+]1CCC2(CCCN2C(=O)C(=O)Nc2ccc(CC#N)cc2Cl)CC1 ZINC000453729689 560400142 /nfs/dbraw/zinc/40/01/42/560400142.db2.gz ZYFHCRKCDAPZIB-UHFFFAOYSA-N 1 0 374.872 2.431 20 30 FEEDRO CC(C)Oc1ccc(NC(=O)C(=O)NCC[N@@H+]2CCCC2(C)C)cc1C#N ZINC000454064969 560426037 /nfs/dbraw/zinc/42/60/37/560426037.db2.gz DUWOLWQQCFGLEC-UHFFFAOYSA-N 1 0 372.469 2.275 20 30 FEEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)NCCCC[N@H+](C)C1CC1 ZINC000454119747 560430842 /nfs/dbraw/zinc/43/08/42/560430842.db2.gz ZEMFHIJNORTVEY-UHFFFAOYSA-N 1 0 372.469 2.275 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1NC(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000454479943 560446134 /nfs/dbraw/zinc/44/61/34/560446134.db2.gz GANNELAELUIKRN-MOPGFXCFSA-N 1 0 359.470 2.304 20 30 FEEDRO CC(C)Oc1ccc(NC(=O)NC[C@H]2CCC[N@@H+]2CCCO)cc1C#N ZINC000454999138 560466793 /nfs/dbraw/zinc/46/67/93/560466793.db2.gz NTYZWEXVBNPARB-QGZVFWFLSA-N 1 0 360.458 2.314 20 30 FEEDRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)Nc1cnc(C#N)c(Cl)c1 ZINC000455748330 560493717 /nfs/dbraw/zinc/49/37/17/560493717.db2.gz AAQCGEBZOJWQAO-ZDUSSCGKSA-N 1 0 351.838 2.181 20 30 FEEDRO CC[C@H]1C[N@H+](CC)CCN1C(=O)[C@H]1CCCN(c2nc(C)ccc2C#N)C1 ZINC000456393316 560519042 /nfs/dbraw/zinc/51/90/42/560519042.db2.gz XVVUIMJQICMJMD-OALUTQOASA-N 1 0 369.513 2.421 20 30 FEEDRO C=CCC[C@@H](NC(=O)c1ccc(CN2CC[NH+](C)CC2)cc1)C(=O)OCC ZINC000456631653 560526493 /nfs/dbraw/zinc/52/64/93/560526493.db2.gz SNKWDZUYESMUMX-LJQANCHMSA-N 1 0 373.497 2.062 20 30 FEEDRO C=CCC[C@@H](CO)NC(=O)c1cnn(CC[NH+](C)C)c1-c1ccccc1 ZINC000456767282 560532413 /nfs/dbraw/zinc/53/24/13/560532413.db2.gz MOASYKKEUJFKPK-KRWDZBQOSA-N 1 0 356.470 2.169 20 30 FEEDRO C=C(C)[C@H]1OCCC[C@H]1C(=O)NCc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000457467925 560568583 /nfs/dbraw/zinc/56/85/83/560568583.db2.gz WZFLLJCHCGVHML-NHCUHLMSSA-N 1 0 371.525 2.422 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1NC(=O)N(Cc1ccncc1)C[C@H]1CCC[N@H+]1CC ZINC000459026862 560662478 /nfs/dbraw/zinc/66/24/78/560662478.db2.gz MOYJMPPKAGMPLW-QRVBRYPASA-N 1 0 358.486 2.421 20 30 FEEDRO C=C(CC)CNC(=O)N1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000459068839 560664996 /nfs/dbraw/zinc/66/49/96/560664996.db2.gz DSWXGLIVJXKOON-UHFFFAOYSA-N 1 0 352.523 2.078 20 30 FEEDRO CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH2+][C@@H](C)CCCc2cccnc2)CC1 ZINC000459645506 560699585 /nfs/dbraw/zinc/69/95/85/560699585.db2.gz ZMEMBBSFOHBXTR-AZUAARDMSA-N 1 0 371.529 2.075 20 30 FEEDRO C=C(C)CN(CC)C(=O)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000459821143 560710823 /nfs/dbraw/zinc/71/08/23/560710823.db2.gz KKOJUODXGPCHAK-UXHICEINSA-N 1 0 369.509 2.392 20 30 FEEDRO C=CCN(C)C(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000459912470 560718864 /nfs/dbraw/zinc/71/88/64/560718864.db2.gz YBFYRUVKJUJBPP-MOPGFXCFSA-N 1 0 355.482 2.144 20 30 FEEDRO CC(C)[NH+](CCN(C)C(=O)C(=O)N(C)Cc1ccc(C#N)cc1)C(C)C ZINC000459937930 560721742 /nfs/dbraw/zinc/72/17/42/560721742.db2.gz GIPVGSUBKJJPKW-UHFFFAOYSA-N 1 0 358.486 2.094 20 30 FEEDRO C=C(C)Cn1c([C@H](C)OCCOC)nnc1N1C[C@H](C)[N@H+](CC)C[C@@H]1C ZINC000460563388 560746405 /nfs/dbraw/zinc/74/64/05/560746405.db2.gz VHAGOEHYQDQKCW-ULQDDVLXSA-N 1 0 365.522 2.497 20 30 FEEDRO C=C(C)Cn1c(-c2ccoc2)nnc1N1CC[C@@H](N2CC[NH+](CC)CC2)C1 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CCC[C@H]1CN(C(=O)NCCc2cccc(C#N)c2)CC[N@@H+]1CCOC ZINC000466809197 560896259 /nfs/dbraw/zinc/89/62/59/560896259.db2.gz MDRQWTRINHSERP-IBGZPJMESA-N 1 0 358.486 2.243 20 30 FEEDRO C=CCOc1cc(OC)ccc1C(=O)NCC1(O)CC[NH+](C(C)C)CC1 ZINC000467540543 560912276 /nfs/dbraw/zinc/91/22/76/560912276.db2.gz CRYPUAWJRRPXKX-UHFFFAOYSA-N 1 0 362.470 2.225 20 30 FEEDRO CCOCCC[N@@H+]1CC[C@H](N[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)[C@H](C)C1 ZINC000469769207 560964178 /nfs/dbraw/zinc/96/41/78/560964178.db2.gz NSPROWLZRREBCG-XSYGEPLQSA-N 1 0 366.550 2.156 20 30 FEEDRO C=CCc1ccc(OC[C@H](O)C[N@H+]2CC[C@@H](C(=O)OC)[C@H]2C)c(OC)c1 ZINC000470003324 560971601 /nfs/dbraw/zinc/97/16/01/560971601.db2.gz QDWLDBROGJTMDG-DJIMGWMZSA-N 1 0 363.454 2.047 20 30 FEEDRO C=CCOCCC[N@H+]1CCC[C@H](NS(=O)(=O)c2cccc(F)c2)C1 ZINC000470780807 560989564 /nfs/dbraw/zinc/98/95/64/560989564.db2.gz IOLODDZQKMDBHA-INIZCTEOSA-N 1 0 356.463 2.161 20 30 FEEDRO Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N3CC[N@@H+](C)CC[C@@H]3C)C2)n1 ZINC000471953475 561014894 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Cc1ccc(N2CC[C@H]([NH2+]C[C@@H](O)COc3ccccc3C#N)C2=O)cc1 ZINC000530229898 562403082 /nfs/dbraw/zinc/40/30/82/562403082.db2.gz BFXDPYZNBOLABH-MOPGFXCFSA-N 1 0 365.433 2.002 20 30 FEEDRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)Cc2cccc(C#N)c2)CC1 ZINC000530915087 562428564 /nfs/dbraw/zinc/42/85/64/562428564.db2.gz NOJMGZAEZXRYHF-HDICACEKSA-N 1 0 354.498 2.118 20 30 FEEDRO CC(C)(C)[N@@H+]1CCCN(C(=O)C(=O)Nc2cc(C#N)ccc2Cl)CC1 ZINC000532043193 562464909 /nfs/dbraw/zinc/46/49/09/562464909.db2.gz CTFSGKRQDASPLF-UHFFFAOYSA-N 1 0 362.861 2.483 20 30 FEEDRO CC[NH+]1CCN(Cc2ccc(CNC(=O)C3(C#N)CC(C)C3)cc2)CC1 ZINC000532065019 562465775 /nfs/dbraw/zinc/46/57/75/562465775.db2.gz QJADGEOKOUYNHT-UHFFFAOYSA-N 1 0 354.498 2.380 20 30 FEEDRO C[C@@H]([NH2+]Cc1cnn([C@@]2(C)CCS(=O)(=O)C2)c1)c1ccc(C#N)cc1 ZINC000532870222 562491238 /nfs/dbraw/zinc/49/12/38/562491238.db2.gz XYIWRWNEVOLYSC-KDOFPFPSSA-N 1 0 358.467 2.139 20 30 FEEDRO CN1CCC([NH+]2CCC(NC(=O)C3(c4cccc(C#N)c4)CC3)CC2)CC1 ZINC000533401527 562507462 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30 FEEDRO C=CC[N@@H+](Cc1c[nH]c(C(=O)OC)c1)Cc1cccc(-c2nn[nH]n2)c1 ZINC000823914171 608631230 /nfs/dbraw/zinc/63/12/30/608631230.db2.gz CEXKKDCRTDUIGB-UHFFFAOYSA-N 1 0 352.398 2.170 20 30 FEEDRO CC[NH+]1CCN(CCNC(=O)c2sc3ccc(C#N)cc3c2C)CC1 ZINC000559795367 674556065 /nfs/dbraw/zinc/55/60/65/674556065.db2.gz KXUHRTBZSQFCQW-UHFFFAOYSA-N 1 0 356.495 2.449 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1CCCc2cc(S(N)(=O)=O)ccc21 ZINC000559841932 674558135 /nfs/dbraw/zinc/55/81/35/674558135.db2.gz KAIWGVUIIUUQGA-JLSDUUJJSA-N 1 0 350.484 2.282 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000561424408 674664826 /nfs/dbraw/zinc/66/48/26/674664826.db2.gz DWWARQVSVRMVJC-HNNXBMFYSA-N 1 0 361.511 2.396 20 30 FEEDRO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCC[C@H](N2CCCC2=O)CC1 ZINC000563232961 674863071 /nfs/dbraw/zinc/86/30/71/674863071.db2.gz MSBXTNHHHFBBBB-HNNXBMFYSA-N 1 0 360.483 2.425 20 30 FEEDRO CC(=NNC(=S)NCCC[NH+](C)C)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000814845764 674883542 /nfs/dbraw/zinc/88/35/42/674883542.db2.gz VBKOUBHNMOJSSU-CQSZACIVSA-N 1 0 371.551 2.178 20 30 FEEDRO C#CCNC(=O)CC[NH2+][C@]1(CNC(=O)OC(C)(C)C)CCCC[C@@H]1C ZINC000815069525 674911289 /nfs/dbraw/zinc/91/12/89/674911289.db2.gz CCUXZDDRMGZIBL-KXBFYZLASA-N 1 0 351.491 2.189 20 30 FEEDRO C[NH+](C)CCCCC(=O)N1CSC[C@@H]1C(=O)Nc1ccc(C#N)cc1 ZINC000563788510 674939095 /nfs/dbraw/zinc/93/90/95/674939095.db2.gz NRHRSIFEDZZNFQ-MRXNPFEDSA-N 1 0 360.483 2.130 20 30 FEEDRO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CCN1c1nc(C#N)c(Cl)s1 ZINC001048710938 675013578 /nfs/dbraw/zinc/01/35/78/675013578.db2.gz MOFTYGVIGLIHBA-NTZNESFSSA-N 1 0 367.906 2.093 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3ncc(C)s3)C[C@@H]2C1 ZINC001048826615 675015983 /nfs/dbraw/zinc/01/59/83/675015983.db2.gz KOEWDCXVHJKDLU-TWMKSMIVSA-N 1 0 361.511 2.323 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@@H]2C1 ZINC001049069764 675022426 /nfs/dbraw/zinc/02/24/26/675022426.db2.gz PTIMQUYFDCLYFL-NONVJHHQSA-N 1 0 357.479 2.101 20 30 FEEDRO CCOCCC1(C[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)CCCC1 ZINC000564723504 675055208 /nfs/dbraw/zinc/05/52/08/675055208.db2.gz KYDLYNJMNLGECA-UHFFFAOYSA-N 1 0 365.499 2.304 20 30 FEEDRO C[C@@H](O)C[N@@H+]1CCN(Cc2ccc(Br)cc2C#N)[C@@H](C)C1 ZINC000565098187 675094460 /nfs/dbraw/zinc/09/44/60/675094460.db2.gz JEWCAWRZGAATRR-QWHCGFSZSA-N 1 0 352.276 2.208 20 30 FEEDRO CCOC(=O)N[C@@H]1CCC[N@H+](CCC(=O)Nc2sccc2C#N)C1 ZINC000052868845 670318825 /nfs/dbraw/zinc/31/88/25/670318825.db2.gz AGDGJBULYYODJD-CYBMUJFWSA-N 1 0 350.444 2.159 20 30 FEEDRO CC(C)NS(=O)(=O)c1ccc(N=NC2CC[NH+](C(C)(C)C)CC2)nc1 ZINC000060808439 670389197 /nfs/dbraw/zinc/38/91/97/670389197.db2.gz MRDFTZYEYCPOQU-UHFFFAOYSA-N 1 0 367.519 2.431 20 30 FEEDRO CC[NH+]=C(NC[C@]1(N2CCOCC2)CCSC1)N1C[C@H](C)C[C@H](C)C1 ZINC000073069817 670499513 /nfs/dbraw/zinc/49/95/13/670499513.db2.gz CHUTYOBYJPLHKU-ZIFCJYIRSA-N 1 0 368.591 2.138 20 30 FEEDRO C[NH+](C)[C@@H]1CCCN(S(=O)(=O)c2cc(Br)ccc2C#N)C1 ZINC000565530548 675129714 /nfs/dbraw/zinc/12/97/14/675129714.db2.gz VEDIRVNXCTWQLT-CYBMUJFWSA-N 1 0 372.288 2.035 20 30 FEEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CS(=O)(=O)c3ccccc3O1)CC2 ZINC000570395676 670708173 /nfs/dbraw/zinc/70/81/73/670708173.db2.gz NRCDLOSQAOLZPD-WBVHZDCISA-N 1 0 354.431 2.370 20 30 FEEDRO C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](C)C[N@@H+](C)CCCC)c1 ZINC000565564488 675132544 /nfs/dbraw/zinc/13/25/44/675132544.db2.gz WLEIZOJDTBYVSX-HNNXBMFYSA-N 1 0 367.515 2.001 20 30 FEEDRO C[C@@H]1CC2(CN1S(=O)(=O)c1cccc(Cl)c1C#N)CC[NH2+]CC2 ZINC000571194397 670833292 /nfs/dbraw/zinc/83/32/92/670833292.db2.gz KLOIAIZNFKWDOG-GFCCVEGCSA-N 1 0 353.875 2.364 20 30 FEEDRO CN(Cc1cccc(NC(=O)[C@H]([NH3+])CCCC#N)c1)C(=O)C(F)(F)F ZINC000818075672 675194524 /nfs/dbraw/zinc/19/45/24/675194524.db2.gz ZEPWIUPWLTUUCW-CYBMUJFWSA-N 1 0 356.348 2.167 20 30 FEEDRO C=CCc1ccccc1OC[C@@H](O)C[NH2+]C1CCC(S(C)(=O)=O)CC1 ZINC000576863498 671400226 /nfs/dbraw/zinc/40/02/26/671400226.db2.gz LRCYSPFRIGYELY-ADKAHSJRSA-N 1 0 367.511 2.100 20 30 FEEDRO CCNC(=O)C[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 ZINC000609144130 675911822 /nfs/dbraw/zinc/91/18/22/675911822.db2.gz MYXPTWKQNXBQCW-LBPRGKRZSA-N 1 0 362.499 2.141 20 30 FEEDRO COC1CC[NH+](C2(CNS(=O)(=O)CCCCC#N)CCCC2)CC1 ZINC000609465324 675922908 /nfs/dbraw/zinc/92/29/08/675922908.db2.gz FJSFBARKQGMHAU-UHFFFAOYSA-N 1 0 357.520 2.023 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+]C[C@H](CO)C2CCCCC2)cc1 ZINC000579122401 671713877 /nfs/dbraw/zinc/71/38/77/671713877.db2.gz CQWYZRHSDMGRSR-QGZVFWFLSA-N 1 0 350.484 2.110 20 30 FEEDRO N#Cc1cc(S(=O)(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)ccc1C(F)(F)F ZINC000582241511 671981694 /nfs/dbraw/zinc/98/16/94/671981694.db2.gz WEALOLKVTQKWSR-TXEJJXNPSA-N 1 0 373.400 2.197 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCCC2(C1)OCCO2)C(C)C ZINC000130079012 672070282 /nfs/dbraw/zinc/07/02/82/672070282.db2.gz MACZWSXCQGHALS-QGZVFWFLSA-N 1 0 351.491 2.234 20 30 FEEDRO C[NH+](C)CCN(Cc1cccc(F)c1)S(=O)(=O)CC1(C#N)CCC1 ZINC000583230860 672075637 /nfs/dbraw/zinc/07/56/37/672075637.db2.gz DUGLFDQWMVUMJK-UHFFFAOYSA-N 1 0 353.463 2.213 20 30 FEEDRO CC[NH+]=C(NCC1CCN(C(C)=O)CC1)N[C@@H]1C[C@@](C)(OC)C1(C)C ZINC000130942841 672081562 /nfs/dbraw/zinc/08/15/62/672081562.db2.gz SWWLXINILYZKOW-VQIMIIECSA-N 1 0 352.523 2.004 20 30 FEEDRO C#CCOc1ccc(F)cc1NC(=O)NC[C@H](CC[NH+](C)C)OCC ZINC000132420079 672097960 /nfs/dbraw/zinc/09/79/60/672097960.db2.gz KQAZSRQDGPUAHU-HNNXBMFYSA-N 1 0 351.422 2.316 20 30 FEEDRO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+](C)C2CCC(F)(F)CC2)CC1 ZINC000583923547 672139610 /nfs/dbraw/zinc/13/96/10/672139610.db2.gz UKFLLVWBVONQFV-MRXNPFEDSA-N 1 0 356.461 2.188 20 30 FEEDRO C[NH+]=C(NCc1ccc(C)nc1)N[C@H]1CCN(c2ncccc2Cl)C1 ZINC000158955126 672275069 /nfs/dbraw/zinc/27/50/69/672275069.db2.gz XZBGHLNZXHUWGW-HNNXBMFYSA-N 1 0 358.877 2.382 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)NCCC2CCN(CC(F)(F)F)CC2)CC1 ZINC000176978047 672378599 /nfs/dbraw/zinc/37/85/99/672378599.db2.gz YNPDDLTWJIPHIQ-UHFFFAOYSA-N 1 0 359.436 2.112 20 30 FEEDRO O=C(NCC[NH2+]Cc1cnc(-c2cccs2)s1)C1N=CC=CC1=O ZINC000177580299 672383745 /nfs/dbraw/zinc/38/37/45/672383745.db2.gz JPYQIFMMPXPRSB-PFONDFGASA-N 1 0 360.464 2.488 20 30 FEEDRO O=C(NCC[NH2+]Cc1ccc(Br)c(F)c1)C1N=CC=CC1=O ZINC000178384763 672391271 /nfs/dbraw/zinc/39/12/71/672391271.db2.gz LOBFJMPXVRWEPO-PFONDFGASA-N 1 0 368.206 2.204 20 30 FEEDRO N#Cc1cc(Br)ccc1CN1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000588200421 672457035 /nfs/dbraw/zinc/45/70/35/672457035.db2.gz RTKQRNGGKFZNIP-IAGOWNOFSA-N 1 0 364.287 2.352 20 30 FEEDRO N#Cc1ccc(C[NH2+][C@@H](CC(N)=O)C2CCOCC2)c(C(F)(F)F)c1 ZINC000589511434 672529916 /nfs/dbraw/zinc/52/99/16/672529916.db2.gz JPTNOZAVCWKNNS-HNNXBMFYSA-N 1 0 355.360 2.337 20 30 FEEDRO N#Cc1c(Br)cccc1N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000589569678 672531971 /nfs/dbraw/zinc/53/19/71/672531971.db2.gz NLAXYQOGNWIJAY-JKSUJKDBSA-N 1 0 350.260 2.356 20 30 FEEDRO C[N@@H+]1C[C@H]2CCN(C(=O)C(=O)Nc3scc(C(C)(C)C)c3C#N)[C@@H]2C1 ZINC000590278484 672569485 /nfs/dbraw/zinc/56/94/85/672569485.db2.gz LGEHGXVICQYBSZ-BXUZGUMPSA-N 1 0 360.483 2.018 20 30 FEEDRO C[C@@H]([NH2+]CC(=O)Nc1ccc(S(C)(=O)=O)cc1)c1cccc(C#N)c1 ZINC000611387990 676035220 /nfs/dbraw/zinc/03/52/20/676035220.db2.gz BTHOEZNACJINAR-CYBMUJFWSA-N 1 0 357.435 2.251 20 30 FEEDRO CN(CCCC[NH+](C)C)C(=O)COc1cccc(Br)c1C#N ZINC000590671010 672599827 /nfs/dbraw/zinc/59/98/27/672599827.db2.gz QIRFCKSJDRIAIZ-UHFFFAOYSA-N 1 0 368.275 2.500 20 30 FEEDRO COc1cc(Br)c(C[NH2+]C2CCN(CC#N)CC2)cc1O ZINC000611519570 676042290 /nfs/dbraw/zinc/04/22/90/676042290.db2.gz KNDUESKXUDQTGT-UHFFFAOYSA-N 1 0 354.248 2.241 20 30 FEEDRO Cc1c(Cl)cnc(NCC2(N3CCOCC3)CC[NH+](C)CC2)c1C#N ZINC000591186582 672657492 /nfs/dbraw/zinc/65/74/92/672657492.db2.gz CJEMXQOQXVWHMT-UHFFFAOYSA-N 1 0 363.893 2.124 20 30 FEEDRO CC1(C)COCCN1CCNC(=O)C#Cc1ccc(C(F)(F)F)cc1 ZINC000191204952 672660821 /nfs/dbraw/zinc/66/08/21/672660821.db2.gz OJXBMLWPQAFBGE-UHFFFAOYSA-N 1 0 354.372 2.284 20 30 FEEDRO CN(CCC#N)C[C@H](O)C[NH2+]CCCc1cccc(Br)c1 ZINC000591241397 672661263 /nfs/dbraw/zinc/66/12/63/672661263.db2.gz CLWBOIKIYMMKHG-MRXNPFEDSA-N 1 0 354.292 2.178 20 30 FEEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000591292527 672666742 /nfs/dbraw/zinc/66/67/42/672666742.db2.gz YRVSSTHRTKDAJM-KGLIPLIRSA-N 1 0 360.483 2.278 20 30 FEEDRO CC[C@H]1CN(C(=O)C(=O)Nc2ccccc2SCCC#N)CC[C@@H]1[NH3+] ZINC000591304005 672667711 /nfs/dbraw/zinc/66/77/11/672667711.db2.gz JQWSYSFRINEAGE-KBPBESRZSA-N 1 0 360.483 2.217 20 30 FEEDRO C[NH+](C)C1(CNC(=O)C#Cc2ccc(C(F)(F)F)cc2)CCOCC1 ZINC000191810948 672675461 /nfs/dbraw/zinc/67/54/61/672675461.db2.gz WTIPJZFLYLPCII-UHFFFAOYSA-N 1 0 354.372 2.284 20 30 FEEDRO N#CCN1CCC([NH2+]C[C@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000591736515 672706728 /nfs/dbraw/zinc/70/67/28/672706728.db2.gz UPLWRCAJBQBKRP-ZDUSSCGKSA-N 1 0 358.269 2.311 20 30 FEEDRO CC[NH+](CC)[C@H](CNC(=O)N1CC[C@@](O)(CC#N)C1)c1ccsc1 ZINC000591911882 672720315 /nfs/dbraw/zinc/72/03/15/672720315.db2.gz JJBRXGLCNFWWTF-WBVHZDCISA-N 1 0 350.488 2.191 20 30 FEEDRO CSc1ccc([C@@H](CNC(=O)N2CC[C@](O)(CC#N)C2)[NH+](C)C)cc1 ZINC000592026536 672735858 /nfs/dbraw/zinc/73/58/58/672735858.db2.gz AWOZIJNOPKIAIR-SJLPKXTDSA-N 1 0 362.499 2.071 20 30 FEEDRO N#Cc1ccsc1NC(=O)CC[NH2+][C@H]([C@H]1CCCO1)C1(CO)CCC1 ZINC000592432184 672801813 /nfs/dbraw/zinc/80/18/13/672801813.db2.gz KUTZXJCIEXINPZ-GDBMZVCRSA-N 1 0 363.483 2.248 20 30 FEEDRO C[N@@H+]1CC[C@]2(CCN(C(=O)Cc3ccc(Br)cc3C#N)C2)C1 ZINC000593162501 672885396 /nfs/dbraw/zinc/88/53/96/672885396.db2.gz KAJXJHWIEKHAKI-KRWDZBQOSA-N 1 0 362.271 2.417 20 30 FEEDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)Cc1ccc(Br)cc1C#N ZINC000593175177 672886991 /nfs/dbraw/zinc/88/69/91/672886991.db2.gz FCNUTJMSWUOZSA-OAHLLOKOSA-N 1 0 350.260 2.416 20 30 FEEDRO C[NH+]=C(NCc1cc(Cl)c2c(c1)OCCO2)NC[C@]1(C)CCCO1 ZINC000261657629 672901013 /nfs/dbraw/zinc/90/10/13/672901013.db2.gz AQMVGHYBRGFZSK-KRWDZBQOSA-N 1 0 353.850 2.345 20 30 FEEDRO CC[NH+]=C(NC[C@](C)(O)c1ccsc1)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000261678629 672901248 /nfs/dbraw/zinc/90/12/48/672901248.db2.gz QEAARWXNDGHXCD-DFGXFYAUSA-N 1 0 363.527 2.468 20 30 FEEDRO C[NH+]=C(NC[C@]1(C)CCCC[C@@H]1O)N1CCN(c2cccs2)CC1 ZINC000261777003 672903169 /nfs/dbraw/zinc/90/31/69/672903169.db2.gz OVBHLTWOUUTSDC-YJBOKZPZSA-N 1 0 350.532 2.387 20 30 FEEDRO C[NH+]=C(NCC1(O)CCCCC1)N[C@H]1CCN(c2ncccc2Cl)C1 ZINC000261834178 672904059 /nfs/dbraw/zinc/90/40/59/672904059.db2.gz VVXUVVYOOYQLFY-AWEZNQCLSA-N 1 0 365.909 2.174 20 30 FEEDRO C[NH+]=C(NCC(=O)NC1CCCCC1)N1CCC(OC(C)(C)C)CC1 ZINC000261843729 672904179 /nfs/dbraw/zinc/90/41/79/672904179.db2.gz WWXZNTXJTNXOOH-UHFFFAOYSA-N 1 0 352.523 2.290 20 30 FEEDRO C[NH+]=C(NCCc1nnc2n1CCCCC2)N1CCS[C@@H](C(C)C)C1 ZINC000261860367 672904342 /nfs/dbraw/zinc/90/43/42/672904342.db2.gz ZENZRZCEMJLHPV-OAHLLOKOSA-N 1 0 364.563 2.196 20 30 FEEDRO C[NH+]=C(NCC(=O)Nc1ccc(F)c(F)c1F)N1CCSC(C)(C)C1 ZINC000261930736 672905638 /nfs/dbraw/zinc/90/56/38/672905638.db2.gz LOGLSUAGCQCCEO-UHFFFAOYSA-N 1 0 374.432 2.445 20 30 FEEDRO C[NH+]=C(NC[C@@H]1CCCc2ccccc21)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261962141 672905887 /nfs/dbraw/zinc/90/58/87/672905887.db2.gz KMFFCNJPLZRDGL-INIZCTEOSA-N 1 0 363.527 2.191 20 30 FEEDRO CC[NH+]=C(NCCOC1CCCCCC1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261951099 672905924 /nfs/dbraw/zinc/90/59/24/672905924.db2.gz HKUQWPSMGADATL-UHFFFAOYSA-N 1 0 373.563 2.200 20 30 FEEDRO C[C@@H]1CN([C@H](CNC(=[NH2+])NC2CC2)c2c(F)cccc2Cl)CCO1 ZINC000261982648 672906987 /nfs/dbraw/zinc/90/69/87/672906987.db2.gz PHCUJPRLHZTFBT-IAQYHMDHSA-N 1 0 354.857 2.308 20 30 FEEDRO C[NH+]=C(NC[C@@H](C)c1cccc(C)c1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261993043 672907018 /nfs/dbraw/zinc/90/70/18/672907018.db2.gz RUWAZHSMAWMQTF-OAHLLOKOSA-N 1 0 351.516 2.183 20 30 FEEDRO CN(C)C(=O)CNC(N[C@@H]1CCOC2(CCC2)C1)=[NH+]C1CCCCC1 ZINC000262281294 672912294 /nfs/dbraw/zinc/91/22/94/672912294.db2.gz JCLPEUCXVSTUMM-MRXNPFEDSA-N 1 0 350.507 2.044 20 30 FEEDRO CC[C@H](C)[NH+]=C(NCC(=O)N(C)C)N1CCc2c(F)cc(F)cc2C1 ZINC000262347586 672913879 /nfs/dbraw/zinc/91/38/79/672913879.db2.gz YHJLCCFPWCWTRX-LBPRGKRZSA-N 1 0 352.429 2.155 20 30 FEEDRO CC1(C)CCC(C[NH+]=C(NC[C@H]2CCS(=O)(=O)C2)NC2CC2)CC1 ZINC000262391466 672914724 /nfs/dbraw/zinc/91/47/24/672914724.db2.gz MEQIHQHQIVOOAB-OAHLLOKOSA-N 1 0 355.548 2.335 20 30 FEEDRO C[C@H]1CN(C(=[NH2+])NCc2cc3cc(Br)ccc3[nH]2)CCO1 ZINC000262437959 672915901 /nfs/dbraw/zinc/91/59/01/672915901.db2.gz GWBDBCMEHKLLRC-JTQLQIEISA-N 1 0 351.248 2.466 20 30 FEEDRO CN(C)C(=[NH+]CCC(=O)N(C)Cc1ccccc1Br)N(C)C ZINC000262510952 672917332 /nfs/dbraw/zinc/91/73/32/672917332.db2.gz DDTWHXSQQVDVGW-UHFFFAOYSA-N 1 0 369.307 2.277 20 30 FEEDRO N#Cc1cc(Br)ccc1CC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000593415862 672920631 /nfs/dbraw/zinc/92/06/31/672920631.db2.gz SCLJQDSXUSOCEE-LBPRGKRZSA-N 1 0 362.271 2.464 20 30 FEEDRO CC[NH+]=C(NCCC(F)(F)F)N1CCS(=O)(=O)C2(CCCCC2)C1 ZINC000262784056 672920969 /nfs/dbraw/zinc/92/09/69/672920969.db2.gz LWCWQVAUTZLIGC-UHFFFAOYSA-N 1 0 369.453 2.338 20 30 FEEDRO CCc1ccc(NC(=[NH2+])NCc2ccc(CS(=O)(=O)NC)cc2)cc1 ZINC000303786538 673017684 /nfs/dbraw/zinc/01/76/84/673017684.db2.gz RNIQBTOCIFBHBG-UHFFFAOYSA-N 1 0 360.483 2.225 20 30 FEEDRO [NH2+]=C(NCCCS(=O)(=O)Cc1ccccc1)NCCc1ccccc1 ZINC000303901341 673019195 /nfs/dbraw/zinc/01/91/95/673019195.db2.gz SQWVURIDNFIEST-UHFFFAOYSA-N 1 0 359.495 2.139 20 30 FEEDRO [NH2+]=C(NC[C@H](c1cccc(Cl)c1)N1CCOCC1)NCC1CCC1 ZINC000303976704 673019711 /nfs/dbraw/zinc/01/97/11/673019711.db2.gz KKAKEZYZZAPLOB-QGZVFWFLSA-N 1 0 350.894 2.418 20 30 FEEDRO COCCOCCCCNC(=[NH2+])N1CCN(c2ccc(Cl)cc2)CC1 ZINC000303986744 673019756 /nfs/dbraw/zinc/01/97/56/673019756.db2.gz UUQFDQCXQJQPOM-UHFFFAOYSA-N 1 0 368.909 2.220 20 30 FEEDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCOc2cccc(F)c2C1 ZINC000328739803 673066008 /nfs/dbraw/zinc/06/60/08/673066008.db2.gz MUSBVVGWEDBWCT-CQSZACIVSA-N 1 0 351.422 2.045 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(C(F)F)cc2F)c1C#N ZINC000594423516 673070296 /nfs/dbraw/zinc/07/02/96/673070296.db2.gz NLWVWHMFZHBHDP-UHFFFAOYSA-N 1 0 351.332 2.762 20 30 FEEDRO N#CCCCC[C@H]([NH3+])C(=O)NC[C@@H](O)COc1cccc(Cl)c1Cl ZINC000594431941 673071487 /nfs/dbraw/zinc/07/14/87/673071487.db2.gz SWOZSYTYZZLKAP-YPMHNXCESA-N 1 0 374.268 2.261 20 30 FEEDRO CCOC(=O)c1csc([C@H]2CCCN2C(=O)[C@H]([NH3+])CCCCC#N)n1 ZINC000594456561 673074847 /nfs/dbraw/zinc/07/48/47/673074847.db2.gz QLINNNMSLZLVQW-TZMCWYRMSA-N 1 0 364.471 2.395 20 30 FEEDRO C[C@H](NC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)[C@H]1CCCCO1 ZINC000329480782 673078016 /nfs/dbraw/zinc/07/80/16/673078016.db2.gz PHZVJKBBKOHQCT-XOYOTBSWSA-N 1 0 353.507 2.216 20 30 FEEDRO C=CCOC[C@@H]1NC(=O)N(C[C@@H](c2ccsc2)[NH+](CC)CC)C1=O ZINC000348494424 673115704 /nfs/dbraw/zinc/11/57/04/673115704.db2.gz DKWACMQLPQYRLE-GJZGRUSLSA-N 1 0 351.472 2.254 20 30 FEEDRO CC(=NNC1CCCC1)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000727652190 673176989 /nfs/dbraw/zinc/17/69/89/673176989.db2.gz WBDPCXGLTFFKEZ-UHFFFAOYSA-N 1 0 366.531 2.173 20 30 FEEDRO N#CC1(c2ccc(C[NH2+]CCc3ccc(S(N)(=O)=O)cc3)cc2)CC1 ZINC000594915697 673178067 /nfs/dbraw/zinc/17/80/67/673178067.db2.gz WAPPJGAXGIWLDV-UHFFFAOYSA-N 1 0 355.463 2.221 20 30 FEEDRO CS(=O)(=O)N[C@@H]1CCCC[C@H]1C[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594939471 673179566 /nfs/dbraw/zinc/17/95/66/673179566.db2.gz BUFPZJFLBAMWPV-FUHWJXTLSA-N 1 0 361.511 2.439 20 30 FEEDRO N#Cc1ccc(SCC(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000728610807 673205873 /nfs/dbraw/zinc/20/58/73/673205873.db2.gz NKGPZTVQWKWCSX-QGZVFWFLSA-N 1 0 359.495 2.410 20 30 FEEDRO C[NH+]1CCC(NC(=S)N2CCC(Oc3cccc(C#N)c3)CC2)CC1 ZINC000729165567 673226716 /nfs/dbraw/zinc/22/67/16/673226716.db2.gz XFFDWDMCWRVBEU-UHFFFAOYSA-N 1 0 358.511 2.370 20 30 FEEDRO C=CCSCC[NH2+]Cc1c(C)nn([C@H]2CCS(=O)(=O)C2)c1Cl ZINC000729683268 673243914 /nfs/dbraw/zinc/24/39/14/673243914.db2.gz VIISCEQVNFKJPT-LBPRGKRZSA-N 1 0 363.936 2.213 20 30 FEEDRO N#Cc1ccc(CC[N@H+]2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)cc1 ZINC000595428595 673249638 /nfs/dbraw/zinc/24/96/38/673249638.db2.gz FVZVAXIXXKGPJC-IBGZPJMESA-N 1 0 361.511 2.427 20 30 FEEDRO CCN1C(=O)[C@H](CC(=O)NCC[NH+](C)C)SC1=Nc1ccccc1C ZINC000730141202 673263644 /nfs/dbraw/zinc/26/36/44/673263644.db2.gz NYMYLNNSNUQIMX-HNNXBMFYSA-N 1 0 362.499 2.014 20 30 FEEDRO C[N@@H+]1CCC[C@@H](CCNC(=O)N2CCN(c3ccsc3C#N)CC2)C1 ZINC000595642982 673277686 /nfs/dbraw/zinc/27/76/86/673277686.db2.gz DSTVTVMBBSECQE-HNNXBMFYSA-N 1 0 361.515 2.183 20 30 FEEDRO C#Cc1cccc(NC(=S)N2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)c1 ZINC000730467171 673281568 /nfs/dbraw/zinc/28/15/68/673281568.db2.gz BNXIXFZSDBBPCM-IBGZPJMESA-N 1 0 356.539 2.467 20 30 FEEDRO C[NH+](C)CCC[C@H]1CN(CC(=O)Nc2ccc(C#N)c(Cl)c2)CCO1 ZINC000595905851 673337249 /nfs/dbraw/zinc/33/72/49/673337249.db2.gz HSWSSWHIPWHEBA-INIZCTEOSA-N 1 0 364.877 2.193 20 30 FEEDRO CC[C@H](C[NH+]1CCCC1)NC(=O)N1CCN(c2ccsc2C#N)CC1 ZINC000596478621 673388680 /nfs/dbraw/zinc/38/86/80/673388680.db2.gz HTILUXGKVLHEEZ-OAHLLOKOSA-N 1 0 361.515 2.326 20 30 FEEDRO C[C@@H]1C[NH+](CCCCNC(=O)c2cc(F)c(C#N)c(F)c2)C[C@@H](C)O1 ZINC000597361982 673471655 /nfs/dbraw/zinc/47/16/55/673471655.db2.gz VYJGZYKUPDYRSX-CHWSQXEVSA-N 1 0 351.397 2.456 20 30 FEEDRO Cc1cc2c(ncnc2N2CC[NH+](C[C@@H](O)CC(C)(C)C#N)CC2)s1 ZINC000598607923 673589493 /nfs/dbraw/zinc/58/94/93/673589493.db2.gz OHQRUENONGPWFJ-AWEZNQCLSA-N 1 0 359.499 2.423 20 30 FEEDRO CC(C)(C#N)C[C@H](O)C[NH2+]C[C@@H](O)COc1cccc(C(F)(F)F)c1 ZINC000598699156 673599856 /nfs/dbraw/zinc/59/98/56/673599856.db2.gz BWWAZDPTAXMYLI-UONOGXRCSA-N 1 0 360.376 2.335 20 30 FEEDRO CC(C)(C#N)C[C@H](O)C[NH2+]C[C@H](CO)Cc1ccccc1Br ZINC000598728904 673603928 /nfs/dbraw/zinc/60/39/28/673603928.db2.gz FZIGABJRYXPKQD-HIFRSBDPSA-N 1 0 369.303 2.490 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNS(=O)(=O)c1cncc(OC)c1)C(C)C ZINC000543414530 673645890 /nfs/dbraw/zinc/64/58/90/673645890.db2.gz WBVPSVFBRCSDIM-QGZVFWFLSA-N 1 0 353.488 2.067 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)[C@@H](NC(=O)c2cccs2)C(C)C)CC1 ZINC000740735508 673651884 /nfs/dbraw/zinc/65/18/84/673651884.db2.gz IQFWUFBGWSDZTB-KRWDZBQOSA-N 1 0 361.511 2.106 20 30 FEEDRO C[C@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)C[C@H](O)CC1(C#N)CCOCC1 ZINC000599308842 673656586 /nfs/dbraw/zinc/65/65/86/673656586.db2.gz YBLWIZNHNUVWND-XVNUGVHUSA-N 1 0 364.511 2.488 20 30 FEEDRO C[C@H]([NH2+]C[C@@H](O)COc1ccccc1C#N)c1ccc([S@@](C)=O)cc1 ZINC000599353165 673662670 /nfs/dbraw/zinc/66/26/70/673662670.db2.gz GAAHKBFLNJRJOQ-PHDITVQNSA-N 1 0 358.463 2.386 20 30 FEEDRO CC[N@@H+]1CCC(N=Nc2ccc(S(=O)(=O)NC(C)(C)C)cn2)[C@H](C)C1 ZINC000741459758 673687629 /nfs/dbraw/zinc/68/76/29/673687629.db2.gz GWYJTBZDWFVPLU-CYBMUJFWSA-N 1 0 367.519 2.288 20 30 FEEDRO N#Cc1c2c(sc1NC(=O)CCN1CCO[C@H](CCF)C1)CCC2 ZINC000599642625 673701019 /nfs/dbraw/zinc/70/10/19/673701019.db2.gz OGPDRUMRRTWSKR-GFCCVEGCSA-N 1 0 351.447 2.497 20 30 FEEDRO CCc1ccc(CNC(=O)CO[NH+]=C(N)c2ccc(N(C)C)cc2)s1 ZINC000742355025 673725031 /nfs/dbraw/zinc/72/50/31/673725031.db2.gz ZGTVNZKHCPYFIX-UHFFFAOYSA-N 1 0 360.483 2.330 20 30 FEEDRO N#CCCSc1ccccc1NC(=O)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000599892080 673726587 /nfs/dbraw/zinc/72/65/87/673726587.db2.gz VQFPTGYGUKFTJM-OAHLLOKOSA-N 1 0 358.467 2.032 20 30 FEEDRO C[NH+](C)CC1(CNC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)CCCC1 ZINC000545373724 673764386 /nfs/dbraw/zinc/76/43/86/673764386.db2.gz KFACXYKAWLTAMT-SFHVURJKSA-N 1 0 351.491 2.486 20 30 FEEDRO C[C@@H]1C[C@@H](C)CN(C(C)(C)C[NH2+]C[C@H](O)CC2(C#N)CCOCC2)C1 ZINC000600717847 673794236 /nfs/dbraw/zinc/79/42/36/673794236.db2.gz COTHZLWHDZZHKG-KZNAEPCWSA-N 1 0 351.535 2.404 20 30 FEEDRO N#CC1(C[C@@H](O)C[NH2+][C@@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)CC1 ZINC000600732798 673795171 /nfs/dbraw/zinc/79/51/71/673795171.db2.gz UZWXNVKBUBWXNX-IUODEOHRSA-N 1 0 351.809 2.229 20 30 FEEDRO Cn1c(C[NH2+]C[C@H](O)CC2(C#N)CCOCC2)nc2cc(Cl)ccc21 ZINC000600733374 673795214 /nfs/dbraw/zinc/79/52/14/673795214.db2.gz IYISOHNNLLVZMU-CQSZACIVSA-N 1 0 362.861 2.388 20 30 FEEDRO CC(C)(C)OC(=O)C(C)(C)CC[NH2+]C[C@@H](O)CC1(C#N)CCOCC1 ZINC000600738135 673795479 /nfs/dbraw/zinc/79/54/79/673795479.db2.gz DLYSMQGNKMZSSQ-HNNXBMFYSA-N 1 0 354.491 2.405 20 30 FEEDRO Cc1cccc2c1C[C@@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)CO2 ZINC000600744791 673795844 /nfs/dbraw/zinc/79/58/44/673795844.db2.gz DBJOGOSSPRUSTJ-MRXNPFEDSA-N 1 0 356.447 2.234 20 30 FEEDRO CN(C)C[C@@H]([NH2+]C[C@H](O)CN(C)CCC#N)c1ccc(Cl)c(Cl)c1 ZINC000600754795 673796691 /nfs/dbraw/zinc/79/66/91/673796691.db2.gz IICPGSFISZOFAK-WMLDXEAASA-N 1 0 373.328 2.392 20 30 FEEDRO CC1([NH+]2CCCC2)CCN(S(=O)(=O)c2ccc(C#N)c(F)c2)CC1 ZINC000601497208 673870797 /nfs/dbraw/zinc/87/07/97/673870797.db2.gz QATCFXLYIFDAAK-UHFFFAOYSA-N 1 0 351.447 2.336 20 30 FEEDRO C[C@H](Oc1ccccc1C#N)C(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000602542167 673907640 /nfs/dbraw/zinc/90/76/40/673907640.db2.gz UVTMZTZEKVNXEU-FPMFFAJLSA-N 1 0 355.360 2.311 20 30 FEEDRO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)n1cc(C[C@@H]2CC[NH2+]C2)nn1 ZINC000603188541 673918753 /nfs/dbraw/zinc/91/87/53/673918753.db2.gz LQRDTKFRJNTGAU-RYUDHWBXSA-N 1 0 358.833 2.155 20 30 FEEDRO C#CC[N@@H+](C)CCCNC(=O)c1cc(Br)c(C)cc1OC ZINC000818593136 675226708 /nfs/dbraw/zinc/22/67/08/675226708.db2.gz NHUMOYDAKGSZRJ-UHFFFAOYSA-N 1 0 353.260 2.451 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)Cc1c(F)ccc(Br)c1F ZINC000818593252 675226853 /nfs/dbraw/zinc/22/68/53/675226853.db2.gz RQHGYJJBRDVVSZ-UHFFFAOYSA-N 1 0 359.214 2.341 20 30 FEEDRO C#CC[N@@H+](C)CCCNC(=O)c1cc(OC)c(Br)c(OC)c1 ZINC000818606072 675228167 /nfs/dbraw/zinc/22/81/67/675228167.db2.gz CAHPRVOOPGIPPP-UHFFFAOYSA-N 1 0 369.259 2.151 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)c1c(C)nc2ccc(Br)cn21 ZINC000818608984 675228556 /nfs/dbraw/zinc/22/85/56/675228556.db2.gz CRRRTNHUSWZWLB-UHFFFAOYSA-N 1 0 363.259 2.090 20 30 FEEDRO C#CCNC(=O)CC[NH2+]C[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000818974241 675248652 /nfs/dbraw/zinc/24/86/52/675248652.db2.gz IOUWZBQYDQHICX-CQSZACIVSA-N 1 0 364.287 2.005 20 30 FEEDRO C#CCNC(=O)CC[NH2+][C@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O ZINC000819257958 675274691 /nfs/dbraw/zinc/27/46/91/675274691.db2.gz GGPIOCSOJYYCLA-AWEZNQCLSA-N 1 0 368.264 2.218 20 30 FEEDRO C#CC[N@@H+](C)CCCNC(=O)c1c(C)ccc(Br)c1OC ZINC000819545078 675297689 /nfs/dbraw/zinc/29/76/89/675297689.db2.gz WWQCCHFRBXOTMU-UHFFFAOYSA-N 1 0 353.260 2.451 20 30 FEEDRO C[C@@H]1CN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)C[C@H](C)[N@H+]1C ZINC000819544310 675297663 /nfs/dbraw/zinc/29/76/63/675297663.db2.gz KXOCYQOKROHENH-ZNMIVQPWSA-N 1 0 352.479 2.125 20 30 FEEDRO CCNS(=O)(=O)[C@@H]1CCN(Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000567529995 675300284 /nfs/dbraw/zinc/30/02/84/675300284.db2.gz SXYJVQNZFLUIDH-CYBMUJFWSA-N 1 0 361.389 2.091 20 30 FEEDRO C#C[C@@H](NC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc(Cl)cc1 ZINC000820564517 675370774 /nfs/dbraw/zinc/37/07/74/675370774.db2.gz CIXIXSGHMFILTO-MAUKXSAKSA-N 1 0 361.873 2.378 20 30 FEEDRO C#C[C@@H](NC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc(Cl)cc1 ZINC000820564516 675370829 /nfs/dbraw/zinc/37/08/29/675370829.db2.gz CIXIXSGHMFILTO-CRAIPNDOSA-N 1 0 361.873 2.378 20 30 FEEDRO C#C[C@@H](NC(=O)N(CCOC)CC[NH+](C)C)c1ccc(Cl)cc1F ZINC000820737456 675383733 /nfs/dbraw/zinc/38/37/33/675383733.db2.gz DCBFXKIYSURORX-MRXNPFEDSA-N 1 0 355.841 2.373 20 30 FEEDRO C#CCN(CC(=O)NC[C@@H](C)[NH+]1CCC(C)CC1)C(=O)OC(C)(C)C ZINC000824243883 675591287 /nfs/dbraw/zinc/59/12/87/675591287.db2.gz BIBVBHPOKQEILQ-MRXNPFEDSA-N 1 0 351.491 2.093 20 30 FEEDRO C[NH+]1CCC2(CCCN(S(=O)(=O)Cc3ccc(CC#N)cc3)C2)CC1 ZINC000827543628 675763628 /nfs/dbraw/zinc/76/36/28/675763628.db2.gz HDZMDJUDPQROHS-UHFFFAOYSA-N 1 0 361.511 2.390 20 30 FEEDRO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000603909467 675801999 /nfs/dbraw/zinc/80/19/99/675801999.db2.gz AMWVTMJLUKDUMX-MGPQQGTHSA-N 1 0 358.511 2.367 20 30 FEEDRO C#CCN(CC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C)C(=O)OC(C)(C)C ZINC000828830506 675847245 /nfs/dbraw/zinc/84/72/45/675847245.db2.gz QJIYUTFEWWWVGQ-INIZCTEOSA-N 1 0 351.491 2.190 20 30 FEEDRO COCC[NH+]1CCC(NC(=O)NCc2ccc(C#N)c(Cl)c2)CC1 ZINC000619759341 676393667 /nfs/dbraw/zinc/39/36/67/676393667.db2.gz DPJWOVUNZMRSGW-UHFFFAOYSA-N 1 0 350.850 2.122 20 30 FEEDRO C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC(CC)([NH+]2CCOCC2)CC1 ZINC000626087604 676688422 /nfs/dbraw/zinc/68/84/22/676688422.db2.gz UBZJPYYQMZXZPO-GOSISDBHSA-N 1 0 351.535 2.376 20 30 FEEDRO C=CC[C@]1(C(=O)NCc2cc(Br)cnc2OC)CCC[NH2+]1 ZINC000638559025 677146898 /nfs/dbraw/zinc/14/68/98/677146898.db2.gz BHGBFGXQIWJTIS-OAHLLOKOSA-N 1 0 354.248 2.167 20 30 FEEDRO C[C@H](CNC(=O)C(=O)Nc1cccc(C#Cc2cccs2)c1)[NH+](C)C ZINC000643070452 677223129 /nfs/dbraw/zinc/22/31/29/677223129.db2.gz HJXIBIZYVJERGC-CQSZACIVSA-N 1 0 355.463 2.153 20 30 FEEDRO C=CCn1c(COC)nnc1N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000651519020 677429546 /nfs/dbraw/zinc/42/95/46/677429546.db2.gz JRYPSHWODPSAHL-UHFFFAOYSA-N 1 0 361.412 2.464 20 30 FEEDRO C=CC[C@@H]1CC[C@H]([NH2+]Cc2ccccc2S(=O)(=O)N(C)CCO)C1 ZINC000651712285 677446476 /nfs/dbraw/zinc/44/64/76/677446476.db2.gz ZHXHUDKRUGICLE-WBVHZDCISA-N 1 0 352.500 2.134 20 30 FEEDRO C=CC[C@H]1CC[C@H]([NH2+]C2CCN(S(=O)(=O)C3CCOCC3)CC2)C1 ZINC000651718014 677446878 /nfs/dbraw/zinc/44/68/78/677446878.db2.gz AFSGEYPNUXSHBD-RDJZCZTQSA-N 1 0 356.532 2.294 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)N[C@@]1(Cc2ccc(Cl)cc2)CCOC1 ZINC000838621859 680706553 /nfs/dbraw/zinc/70/65/53/680706553.db2.gz GUHMPHWOPLGQOF-LJQANCHMSA-N 1 0 363.889 2.296 20 30 FEEDRO CN(CCC#N)C(=O)CC[NH+]1CCC(Oc2ccc(Cl)cn2)CC1 ZINC000839202051 680744505 /nfs/dbraw/zinc/74/45/05/680744505.db2.gz AXQYSEIAJZFLOC-UHFFFAOYSA-N 1 0 350.850 2.340 20 30 FEEDRO C=CC[C@@H]1CCCC[C@H]1NC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000660583427 678360496 /nfs/dbraw/zinc/36/04/96/678360496.db2.gz BXVFZNDERSMBJR-BRWVUGGUSA-N 1 0 350.507 2.008 20 30 FEEDRO C=C(C[NH+](C)C)C(=O)NCCOc1ncc(C(F)(F)F)cc1Cl ZINC000764577973 680815676 /nfs/dbraw/zinc/81/56/76/680815676.db2.gz VGWGQDBZMDEOMW-UHFFFAOYSA-N 1 0 351.756 2.367 20 30 FEEDRO C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CCCC(F)(F)C1 ZINC000669032112 679216008 /nfs/dbraw/zinc/21/60/08/679216008.db2.gz ANTWVKOPXJJYHA-KGLIPLIRSA-N 1 0 353.417 2.235 20 30 FEEDRO C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CCSC(C)(C)C1 ZINC000669034574 679216170 /nfs/dbraw/zinc/21/61/70/679216170.db2.gz RSYVFHGMBVPPAS-CABCVRRESA-N 1 0 363.531 2.332 20 30 FEEDRO C#CCCOc1ccc(C[NH+]2CCC(N3CCCS3(=O)=O)CC2)cc1 ZINC000840955104 680857010 /nfs/dbraw/zinc/85/70/10/680857010.db2.gz QOMVYKAWVNSRQP-UHFFFAOYSA-N 1 0 362.495 2.089 20 30 FEEDRO CCOc1ccc(Br)cc1NC(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000841104491 680863637 /nfs/dbraw/zinc/86/36/37/680863637.db2.gz SGDODLLOZRNBNN-CABZTGNLSA-N 1 0 353.220 2.081 20 30 FEEDRO COC(=O)c1cc(C(C)(C)C)sc1NC(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000841113339 680864080 /nfs/dbraw/zinc/86/40/80/680864080.db2.gz KEJSZAKLWUYBON-MWLCHTKSSA-N 1 0 350.444 2.065 20 30 FEEDRO C[C@@H]1[C@H](C(=O)N[C@@H]2CCN(CC#Cc3cccc(Cl)c3)C2)CC[N@@H+]1C ZINC001014473714 680037486 /nfs/dbraw/zinc/03/74/86/680037486.db2.gz DVDOAGNICTUBID-ATZDWAIDSA-N 1 0 359.901 2.222 20 30 FEEDRO C#CCOc1ccc(CNS(=O)(=O)c2ccc(C[NH+](C)C)cc2)cc1 ZINC000832328642 680123749 /nfs/dbraw/zinc/12/37/49/680123749.db2.gz RXTVPGIHZXSFNQ-UHFFFAOYSA-N 1 0 358.463 2.239 20 30 FEEDRO C=C(Cl)C(C)(C)C(=O)N1C[C@@H]2CCN(C(=O)C[N@@H+](C)C3CCC3)[C@@H]2C1 ZINC001021941233 680186066 /nfs/dbraw/zinc/18/60/66/680186066.db2.gz JGCDONVJJBKBBC-GOEBONIOSA-N 1 0 367.921 2.309 20 30 FEEDRO CC(C)(C)NC(=O)Nc1ccc(Cl)c(C(=O)N[C@H]2C[NH2+]C[C@H]2C#N)c1 ZINC000834488725 680234109 /nfs/dbraw/zinc/23/41/09/680234109.db2.gz GCHQFCBTMQEQFA-YGRLFVJLSA-N 1 0 363.849 2.101 20 30 FEEDRO Cn1c(C(=O)N[C@H]2C[NH2+]C[C@H]2C#N)ccc1-c1ccccc1Br ZINC000834495406 680234823 /nfs/dbraw/zinc/23/48/23/680234823.db2.gz VKYSBNLLOPDNBD-RISCZKNCSA-N 1 0 373.254 2.296 20 30 FEEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)Cc1csc(-c2ccc(Cl)s2)n1 ZINC000834493934 680234933 /nfs/dbraw/zinc/23/49/33/680234933.db2.gz JASDECDTPOVXGA-SCZZXKLOSA-N 1 0 352.872 2.295 20 30 FEEDRO Cc1nc(COc2ccc(F)cc2)sc1C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000834516729 680237189 /nfs/dbraw/zinc/23/71/89/680237189.db2.gz LJYXCZVEBDUNFJ-FZMZJTMJSA-N 1 0 360.414 2.011 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](CCOC2CCC2)C1 ZINC001023375832 680257367 /nfs/dbraw/zinc/25/73/67/680257367.db2.gz SLMOVKJFNILOGY-QRQLOZEOSA-N 1 0 350.503 2.365 20 30 FEEDRO C[C@@H]1[C@H](C(=O)NC[C@H]2CCCCN2Cc2ccc(C#N)s2)CC[N@@H+]1C ZINC001024447065 680290014 /nfs/dbraw/zinc/29/00/14/680290014.db2.gz PVQSYNJPSLPWNQ-IIDMSEBBSA-N 1 0 360.527 2.431 20 30 FEEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+]C[C@H]2COc3ccccc3C2)c1 ZINC000753910037 680323887 /nfs/dbraw/zinc/32/38/87/680323887.db2.gz CTWUANOMIJHBKN-INIZCTEOSA-N 1 0 356.447 2.173 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([NH2+]Cc2nnc(C(C)C)s2)CC1 ZINC000997012333 680345305 /nfs/dbraw/zinc/34/53/05/680345305.db2.gz QPAQMOUZAVFADR-CABCVRRESA-N 1 0 364.515 2.333 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CCC([NH2+]CC2CCOCC2)CC1 ZINC001026575386 680347651 /nfs/dbraw/zinc/34/76/51/680347651.db2.gz OYHNIPAPYYHZIL-BTRQGYIVSA-N 1 0 350.503 2.411 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]([N@H+](C)CCn2cc(Cl)cn2)C1 ZINC001027586289 680360712 /nfs/dbraw/zinc/36/07/12/680360712.db2.gz ZESGREVWULHXSY-ZACQAIPSSA-N 1 0 366.893 2.050 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(C[NH2+][C@@H](C)c2csnn2)CC1 ZINC000998094806 680375101 /nfs/dbraw/zinc/37/51/01/680375101.db2.gz NBUJUQNBGPNLJD-BJJXKVORSA-N 1 0 350.488 2.018 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC(C[NH2+]C[C@H]2CCOC2)CC1 ZINC000998138805 680377206 /nfs/dbraw/zinc/37/72/06/680377206.db2.gz LHYXIEFCOFBZBI-QYZOEREBSA-N 1 0 350.503 2.222 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1CC[N@H+](Cc2snnc2C)C1 ZINC001028856071 680385239 /nfs/dbraw/zinc/38/52/39/680385239.db2.gz WVAVJEKLOYORRC-VYDXJSESSA-N 1 0 364.515 2.156 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2nn(C)cc2Cl)C1 ZINC000984916808 680396249 /nfs/dbraw/zinc/39/62/49/680396249.db2.gz NEEVDBSTXPCCJI-WSMBLCCSSA-N 1 0 366.893 2.039 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ncc(Cl)n2C)C1 ZINC000984920137 680396807 /nfs/dbraw/zinc/39/68/07/680396807.db2.gz LFRMTCUIGYRPER-WSMBLCCSSA-N 1 0 366.893 2.039 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC1C[NH+](CC[C@H]2CCCCO2)C1 ZINC001032040627 680411810 /nfs/dbraw/zinc/41/18/10/680411810.db2.gz NKTLIZXFKYXPGD-QYZOEREBSA-N 1 0 350.503 2.365 20 30 FEEDRO CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@H]1CCN(Cc2ccc(C#N)s2)C1 ZINC001033834661 680424935 /nfs/dbraw/zinc/42/49/35/680424935.db2.gz SDHGUWGZQKHGDQ-RVKKMQEKSA-N 1 0 360.527 2.383 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC2(CC[N@@H+](C[C@H](C)O)C2)CC1 ZINC001035237097 680444619 /nfs/dbraw/zinc/44/46/19/680444619.db2.gz PWDZDYWTSNOYGH-BZSNNMDCSA-N 1 0 350.503 2.053 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](CCCC2CCC2)CCO1 ZINC001035543859 680450578 /nfs/dbraw/zinc/45/05/78/680450578.db2.gz WTOPFBVCLBDTON-QYZOEREBSA-N 1 0 350.503 2.365 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)N[C@H]1C[C@@H]1c1ccccc1OC(F)F ZINC000836441198 680469981 /nfs/dbraw/zinc/46/99/81/680469981.db2.gz ZMSYAHHZBYGQJA-CABCVRRESA-N 1 0 351.397 2.398 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)NC[C@@H](O)c1ccc(Cl)cc1Cl ZINC000836489259 680476325 /nfs/dbraw/zinc/47/63/25/680476325.db2.gz WMQOFKIHPHPMQM-OAHLLOKOSA-N 1 0 358.269 2.281 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)NCCCC(=O)Nc1ccc(Cl)cc1 ZINC000836489422 680476343 /nfs/dbraw/zinc/47/63/43/680476343.db2.gz ZTIBJGZIVQFHMY-UHFFFAOYSA-N 1 0 364.877 2.313 20 30 FEEDRO C#CC[N@H+]1CCC[C@H]1COC(=O)[C@@H]1CCCCN1C(=O)c1cccs1 ZINC000756541004 680483919 /nfs/dbraw/zinc/48/39/19/680483919.db2.gz FCQOKBGFPDAQRI-HOTGVXAUSA-N 1 0 360.479 2.384 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)NC1CC[NH+](C[C@H](O)C2CCCCC2)CC1 ZINC001003651198 680537950 /nfs/dbraw/zinc/53/79/50/680537950.db2.gz AGVSMFNPDTWWSZ-QYZOEREBSA-N 1 0 350.503 2.099 20 30 FEEDRO C=C(Cl)C(C)(C)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)C2 ZINC001004366926 680555712 /nfs/dbraw/zinc/55/57/12/680555712.db2.gz LIOCTJUOOLLAJM-JJXSEGSLSA-N 1 0 367.921 2.355 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=S)NC[C@@H]1CCCCO1 ZINC000758192394 680560845 /nfs/dbraw/zinc/56/08/45/680560845.db2.gz ONHAWFCNKXLPHF-SFHVURJKSA-N 1 0 360.527 2.365 20 30 FEEDRO C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1Nc1snc(Cl)c1C#N ZINC001043257399 680569886 /nfs/dbraw/zinc/56/98/86/680569886.db2.gz QHHHHIKCCVYFPH-ZYHUDNBSSA-N 1 0 365.890 2.023 20 30 FEEDRO CC[C@@H](C(=O)N1C[C@@H](C)[C@H](Nc2nc(Cl)c(C#N)s2)C1)[NH+](C)C ZINC001043262424 680570335 /nfs/dbraw/zinc/57/03/35/680570335.db2.gz PRYBWTBYLWKOOU-MXWKQRLJSA-N 1 0 355.895 2.267 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CC[NH+](CC[C@@H]2CCCCO2)CC1 ZINC001006015695 680590432 /nfs/dbraw/zinc/59/04/32/680590432.db2.gz HQXPAOFXKHLGEF-OTWHNJEPSA-N 1 0 350.503 2.460 20 30 FEEDRO 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2.353 20 30 FEEDRO COc1ccc(CCC(=O)NCC#CC[NH+](C)C)cc1Br ZINC000913516472 685479278 /nfs/dbraw/zinc/47/92/78/685479278.db2.gz RIDUPXIVBGGIPK-UHFFFAOYSA-N 1 0 353.260 2.072 20 30 FEEDRO CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H]([NH+](C)C)CC2)c1 ZINC000935649843 681792389 /nfs/dbraw/zinc/79/23/89/681792389.db2.gz UWHQGJUDKMENSB-QGZVFWFLSA-N 1 0 362.495 2.040 20 30 FEEDRO CC#CCS(=O)(=O)c1cccc(C(=O)N(C)CCC[NH+]2CCCC2)c1 ZINC000935799486 681825428 /nfs/dbraw/zinc/82/54/28/681825428.db2.gz ZIDNFRYSWFRLHT-UHFFFAOYSA-N 1 0 362.495 2.042 20 30 FEEDRO CCCC[C@H](ON=C(C)C)C(=O)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000780981551 681893030 /nfs/dbraw/zinc/89/30/30/681893030.db2.gz UVTCLGRVORGAHV-ROUUACIJSA-N 1 0 354.539 2.346 20 30 FEEDRO C[C@@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1cncc(Br)c1 ZINC000850444845 681902974 /nfs/dbraw/zinc/90/29/74/681902974.db2.gz ZWHGNBRTQGWHAH-ZEIZSXSISA-N 1 0 365.231 2.021 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@H]1C[N@@H+](C)CC1CCOCC1 ZINC000960929654 682072469 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C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]Cc2cc(OC)ns2)C1 ZINC000970220985 682289297 /nfs/dbraw/zinc/28/92/97/682289297.db2.gz PNRXSPOHMINCMO-KMFMINBZSA-N 1 0 365.499 2.214 20 30 FEEDRO C#CCC[N@@H+](CCOC)C[C@@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)O1 ZINC000852750367 682335404 /nfs/dbraw/zinc/33/54/04/682335404.db2.gz RZUYSFGKVOGQCQ-INIZCTEOSA-N 1 0 352.475 2.127 20 30 FEEDRO CN1CC[C@H](NC(=O)C#CC2CC[NH2+]CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000852885883 682353271 /nfs/dbraw/zinc/35/32/71/682353271.db2.gz DNPJFJDQYDVEBI-HKUYNNGSSA-N 1 0 363.864 2.344 20 30 FEEDRO O=C(C#CC1CC[NH2+]CC1)N1CCO[C@H](c2ccc(F)cc2Cl)C1 ZINC000852887058 682353397 /nfs/dbraw/zinc/35/33/97/682353397.db2.gz DNDSLPUXNDEXLL-KRWDZBQOSA-N 1 0 350.821 2.382 20 30 FEEDRO CC(=NNCC[NH+]1CCCCC1)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000853292348 682403393 /nfs/dbraw/zinc/40/33/93/682403393.db2.gz WQBNENNHDPYVOC-INIZCTEOSA-N 1 0 354.495 2.074 20 30 FEEDRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C ZINC000854650260 682575067 /nfs/dbraw/zinc/57/50/67/682575067.db2.gz AWEWTWDNXLDXAY-RBSFLKMASA-N 1 0 352.479 2.125 20 30 FEEDRO CCN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)[C@H]1CC[N@H+](C)C1 ZINC000855360510 682661592 /nfs/dbraw/zinc/66/15/92/682661592.db2.gz GMVAFXFOPCDWAI-LSDHHAIUSA-N 1 0 352.479 2.126 20 30 FEEDRO COCC[N@@H+]1CCCN(C(=O)C#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000790510938 682682710 /nfs/dbraw/zinc/68/27/10/682682710.db2.gz QRCOWUJPZPEIAU-UHFFFAOYSA-N 1 0 354.372 2.238 20 30 FEEDRO C=C(C[NH+](C)C)C(=O)NCCc1ccc(I)cc1 ZINC000856154978 682748044 /nfs/dbraw/zinc/74/80/44/682748044.db2.gz QPBYLAJVFMDVHN-UHFFFAOYSA-N 1 0 358.223 2.068 20 30 FEEDRO C#CC[C@@H](COC)[NH2+]Cc1ccc(OCCN2CCOCC2)c(Cl)c1 ZINC000858334881 682958553 /nfs/dbraw/zinc/95/85/53/682958553.db2.gz HLNCDXBKOYGCAT-KRWDZBQOSA-N 1 0 366.889 2.179 20 30 FEEDRO C#CCN(C(=O)NCc1nc(C(F)(F)F)cs1)C1CC[NH+](C)CC1 ZINC000919900200 683305998 /nfs/dbraw/zinc/30/59/98/683305998.db2.gz CTTWSMDZDLYESD-UHFFFAOYSA-N 1 0 360.405 2.401 20 30 FEEDRO C[NH+]1CCC2(CCCN(S(=O)(=O)c3cccc(F)c3C#N)C2)CC1 ZINC000798466385 683353505 /nfs/dbraw/zinc/35/35/05/683353505.db2.gz LYARBIIDHIQVFD-UHFFFAOYSA-N 1 0 351.447 2.194 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)NCCCCCC(=O)OC(C)(C)C)CC1 ZINC000920860019 683373676 /nfs/dbraw/zinc/37/36/76/683373676.db2.gz COWMFHDVXSVWQW-UHFFFAOYSA-N 1 0 351.491 2.285 20 30 FEEDRO C=CC[C@@H](CC)[NH2+][C@@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000798938254 683406529 /nfs/dbraw/zinc/40/65/29/683406529.db2.gz ZWZRBQCWLPPOMO-DZGCQCFKSA-N 1 0 374.528 2.418 20 30 FEEDRO C=CCN1CC[C@H]([N@H+](C)C[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)C1=O ZINC000798956994 683408505 /nfs/dbraw/zinc/40/85/05/683408505.db2.gz TXCXHWYLFOSWIP-KXBFYZLASA-N 1 0 351.491 2.352 20 30 FEEDRO N#Cc1ccc(-c2cccc(CNC(=O)NC[C@H]3COCC[NH2+]3)c2)s1 ZINC000861589563 683439355 /nfs/dbraw/zinc/43/93/55/683439355.db2.gz IKHHHTLEUACPLM-HNNXBMFYSA-N 1 0 356.451 2.074 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)c2nnn(-c3ccccc3Cl)c2C)CC1 ZINC000928657904 683482544 /nfs/dbraw/zinc/48/25/44/683482544.db2.gz DOFPYZGIGCUBPD-UHFFFAOYSA-N 1 0 357.845 2.057 20 30 FEEDRO CCS(=O)(=O)N(C)CCC[NH2+]Cc1cc(C#N)ccc1Br ZINC000921533870 683494999 /nfs/dbraw/zinc/49/49/99/683494999.db2.gz YGSXCEQBBNTQKG-UHFFFAOYSA-N 1 0 374.304 2.082 20 30 FEEDRO C[NH+](C)CC(C)(C)CNC(=S)N1CCC(C#N)(c2ccccn2)CC1 ZINC000799900039 683506301 /nfs/dbraw/zinc/50/63/01/683506301.db2.gz JVOCIWMBAQJUMZ-UHFFFAOYSA-N 1 0 359.543 2.401 20 30 FEEDRO Cc1cc(C#N)cc(C)c1C[NH2+]CCNS(=O)(=O)Cc1ccccc1 ZINC000921577378 683507195 /nfs/dbraw/zinc/50/71/95/683507195.db2.gz DSSYAETWAQFKAM-UHFFFAOYSA-N 1 0 357.479 2.384 20 30 FEEDRO CN(Cc1cc(C#N)cs1)C(=O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000929108924 683547949 /nfs/dbraw/zinc/54/79/49/683547949.db2.gz HFFNPQAJVKDDQP-UHFFFAOYSA-N 1 0 362.499 2.004 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)N[C@@H](COC)c2ccc(F)c(F)c2)CC1 ZINC000921799761 683578620 /nfs/dbraw/zinc/57/86/20/683578620.db2.gz WGJLZUBJRAKVDD-KRWDZBQOSA-N 1 0 351.397 2.049 20 30 FEEDRO N#Cc1cc(C[NH2+]C2CCN(S(=O)(=O)C(F)(F)F)CC2)cs1 ZINC000921831367 683585466 /nfs/dbraw/zinc/58/54/66/683585466.db2.gz RFVRMGZZGZHLTG-UHFFFAOYSA-N 1 0 353.391 2.023 20 30 FEEDRO N#Cc1cc(C[NH2+][C@H](Cc2ccccc2)C(=O)N2CCOCC2)cs1 ZINC000922002216 683634646 /nfs/dbraw/zinc/63/46/46/683634646.db2.gz XNVIRXLLBWJEQD-GOSISDBHSA-N 1 0 355.463 2.179 20 30 FEEDRO C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)[C@@H]1C[C@@H]1c1cccc(F)c1 ZINC000922023601 683639187 /nfs/dbraw/zinc/63/91/87/683639187.db2.gz WWMFBLSGOQWNLH-QZTJIDSGSA-N 1 0 350.459 2.041 20 30 FEEDRO C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1c(C)ccc2cccnc21 ZINC000922024809 683639876 /nfs/dbraw/zinc/63/98/76/683639876.db2.gz SUBDEVIRGXYPKH-UHFFFAOYSA-N 1 0 357.479 2.261 20 30 FEEDRO C[NH+](C)CCNS(=O)(=O)c1cccc(NCc2csc(C#N)c2)c1 ZINC000922120711 683664193 /nfs/dbraw/zinc/66/41/93/683664193.db2.gz NQLCEGKEHCQDSF-UHFFFAOYSA-N 1 0 364.496 2.072 20 30 FEEDRO C[N@@H+]1CCC(N=Nc2ccc(S(=O)(=O)N3CCCC3)cn2)CC1(C)C ZINC000863079383 683676807 /nfs/dbraw/zinc/67/68/07/683676807.db2.gz LFHAHANGWAPBDH-UHFFFAOYSA-N 1 0 365.503 2.138 20 30 FEEDRO C#CCN(C(=O)N[C@H](C)[C@H]1OCCc2sccc21)C1CC[NH+](C)CC1 ZINC000922596536 683751485 /nfs/dbraw/zinc/75/14/85/683751485.db2.gz KGQNRZYRFSSCEN-RDTXWAMCSA-N 1 0 361.511 2.489 20 30 FEEDRO C#CCN(C(=O)N[C@@H](C)[C@H]1OCCc2sccc21)C1CC[NH+](C)CC1 ZINC000922596533 683751552 /nfs/dbraw/zinc/75/15/52/683751552.db2.gz KGQNRZYRFSSCEN-KBXCAEBGSA-N 1 0 361.511 2.489 20 30 FEEDRO N#Cc1ccc(N2CCC([NH2+]C3C[C@H]4CC[C@@H](C3)S4(=O)=O)CC2)cc1 ZINC000922850543 683792548 /nfs/dbraw/zinc/79/25/48/683792548.db2.gz ZFFAJWZQMLSVOR-JLYLLQBASA-N 1 0 359.495 2.225 20 30 FEEDRO CN(C)c1ccc(C#N)cc1C[NH2+]Cc1cccc(CS(C)(=O)=O)c1 ZINC000865439116 683982812 /nfs/dbraw/zinc/98/28/12/683982812.db2.gz OVUAMUCVZUYPLC-UHFFFAOYSA-N 1 0 357.479 2.459 20 30 FEEDRO CN(CC[NH+]1CC2(C1)CCOCC2)c1nc2cc(Cl)ccn2c1C#N ZINC000866258214 684086885 /nfs/dbraw/zinc/08/68/85/684086885.db2.gz RRHYDUIKCMHYGJ-UHFFFAOYSA-N 1 0 359.861 2.408 20 30 FEEDRO CC(C)[NH+]1CCN(C2CCN(C(=O)c3sccc3CC#N)CC2)CC1 ZINC000867054988 684203070 /nfs/dbraw/zinc/20/30/70/684203070.db2.gz VNIKKVNCZRYWBU-UHFFFAOYSA-N 1 0 360.527 2.445 20 30 FEEDRO CCO[C@@H](CNC(=O)Nc1ccc(C#N)c(Br)c1)C[NH+](C)C ZINC000931381417 684272722 /nfs/dbraw/zinc/27/27/22/684272722.db2.gz YGAPSLGVGMRAHJ-ZDUSSCGKSA-N 1 0 369.263 2.409 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2CCC([C@@H]3CCC[NH2+]CC3)CC2)s1 ZINC000923702656 684335516 /nfs/dbraw/zinc/33/55/16/684335516.db2.gz ONCFRGMPUBTXJL-CYBMUJFWSA-N 1 0 353.513 2.410 20 30 FEEDRO C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2C[N@H+](C)CC[C@@H]2C1 ZINC000868453483 684496910 /nfs/dbraw/zinc/49/69/10/684496910.db2.gz VETJNLWHUOGKRM-ILXRZTDVSA-N 1 0 371.909 2.432 20 30 FEEDRO C=CC[C@H](CO)C[NH2+][C@@H]1[C@@H]2COC[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C2 ZINC000925696231 684579312 /nfs/dbraw/zinc/57/93/12/684579312.db2.gz JQXUXZJHNIXJJE-ZOFXXKQRSA-N 1 0 354.491 2.079 20 30 FEEDRO C=C(Cl)C[C@H](NC(=O)CC1([NH+]2CCOCC2)CCCC1)C(=O)OCC ZINC000870031355 684677568 /nfs/dbraw/zinc/67/75/68/684677568.db2.gz OFBMDLINMBAQRU-HNNXBMFYSA-N 1 0 372.893 2.212 20 30 FEEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)c1ccc(OC(F)(F)F)cc1C(F)(F)F ZINC000870941328 684773635 /nfs/dbraw/zinc/77/36/35/684773635.db2.gz UXMDNSNLJUAQNX-CPCISQLKSA-N 1 0 367.249 2.445 20 30 FEEDRO C#CCCCNC(=O)C(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000875239460 685762305 /nfs/dbraw/zinc/76/23/05/685762305.db2.gz DSCVZPHBEOCHNA-HNNXBMFYSA-N 1 0 370.280 2.242 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)N[C@@H](CCO)c1ccc(Cl)c(F)c1 ZINC000875623972 686051465 /nfs/dbraw/zinc/05/14/65/686051465.db2.gz YTMNCFREHKZIMC-INIZCTEOSA-N 1 0 355.841 2.157 20 30 FEEDRO C#CCCCCCC[NH+]1CCN(Cc2cc(=O)n3ccsc3n2)CC1 ZINC000876552874 686218732 /nfs/dbraw/zinc/21/87/32/686218732.db2.gz ZNUOCFIIDXERPY-UHFFFAOYSA-N 1 0 358.511 2.457 20 30 FEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@H](CC(=O)OCC)c1cccc(OC)c1 ZINC000876607821 686227781 /nfs/dbraw/zinc/22/77/81/686227781.db2.gz QRTKGDDAEYMQSS-HUUCEWRRSA-N 1 0 354.834 2.276 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H](O)COc1cccc(C(F)(F)F)c1 ZINC000876619678 686229948 /nfs/dbraw/zinc/22/99/48/686229948.db2.gz BNCGGJQYWRZKLH-AAEUAGOBSA-N 1 0 366.767 2.031 20 30 FEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000876631995 686233377 /nfs/dbraw/zinc/23/33/77/686233377.db2.gz PCKWMDOGQWAJFB-UONOGXRCSA-N 1 0 354.813 2.018 20 30 FEEDRO N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1CCO[C@H](c2ccsc2)C1 ZINC000876691362 686244231 /nfs/dbraw/zinc/24/42/31/686244231.db2.gz BZVYPINZDNVZHX-ROUUACIJSA-N 1 0 353.447 2.407 20 30 FEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N(C)CCCOc1cc(OC)cc(OC)c1 ZINC000876705152 686248390 /nfs/dbraw/zinc/24/83/90/686248390.db2.gz WVWRWMBKRVCCNF-MRXNPFEDSA-N 1 0 356.850 2.401 20 30 FEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000876728453 686255064 /nfs/dbraw/zinc/25/50/64/686255064.db2.gz MHRFCXMVJBMNRM-DGCLKSJQSA-N 1 0 371.268 2.382 20 30 FEEDRO CCSc1ccc(CC(=O)N[C@H]2C[NH2+]C[C@H]2C#N)c(Br)c1 ZINC000876802246 686271578 /nfs/dbraw/zinc/27/15/78/686271578.db2.gz NIZDOGHXWRQDEW-RISCZKNCSA-N 1 0 368.300 2.331 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N1CCCN(Cc2ccc(OC)cc2)CC1 ZINC000876873943 686285272 /nfs/dbraw/zinc/28/52/72/686285272.db2.gz VVJUHKZSQYPPIE-KRWDZBQOSA-N 1 0 351.878 2.199 20 30 FEEDRO C[NH+]1CCN(c2ncccc2CNCc2cc(C#N)cnc2Cl)CC1 ZINC000876991528 686306461 /nfs/dbraw/zinc/30/64/61/686306461.db2.gz ZDFJCOYYUCQDDM-UHFFFAOYSA-N 1 0 356.861 2.043 20 30 FEEDRO CN(Cc1ccc(C#N)cc1F)C[C@@H](O)CN(C)C(=O)OC(C)(C)C ZINC000879084917 686735058 /nfs/dbraw/zinc/73/50/58/686735058.db2.gz YBHKVJDANIJCIO-OAHLLOKOSA-N 1 0 351.422 2.357 20 30 FEEDRO C#CC[C@H](CO)NC(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1 ZINC000879847434 686926092 /nfs/dbraw/zinc/92/60/92/686926092.db2.gz ZDUANSJCHZQBAI-CQSZACIVSA-N 1 0 365.861 2.319 20 30 FEEDRO C=CCC[C@H](O)C[N@H+]1C[C@@H](C)O[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000880221781 687019128 /nfs/dbraw/zinc/01/91/28/687019128.db2.gz RMLOROALPZYAFR-JTDSTZFVSA-N 1 0 354.491 2.414 20 30 FEEDRO C#CCC1(O)CC[NH+](CCC(=O)Nc2sc3c(c2C#N)CCC3)CC1 ZINC000880481984 687052746 /nfs/dbraw/zinc/05/27/46/687052746.db2.gz UAJJKSYXAHCOEC-UHFFFAOYSA-N 1 0 357.479 2.287 20 30 FEEDRO N#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H]3CCNC(=O)[C@@H]32)cc1Cl ZINC000880527861 687057967 /nfs/dbraw/zinc/05/79/67/687057967.db2.gz VTEWVTPACXFMQJ-SJKOYZFVSA-N 1 0 360.845 2.141 20 30 FEEDRO N#Cc1cnc(N2CCC[C@@H](C[NH+]3CCOCC3)C2)c(Br)c1 ZINC000882315795 687346082 /nfs/dbraw/zinc/34/60/82/687346082.db2.gz NQCMTJSHAGEICY-ZDUSSCGKSA-N 1 0 365.275 2.264 20 30 FEEDRO CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCC(CC)([NH+]2CCCCC2)CC1 ZINC000882618145 687410445 /nfs/dbraw/zinc/41/04/45/687410445.db2.gz KRTVELGLDWGNAY-KRWDZBQOSA-N 1 0 370.563 2.443 20 30 FEEDRO N#Cc1nc(NC(=O)N2CC[C@H]([NH+]3CCCC3)C2)ccc1Br ZINC000883084742 687559404 /nfs/dbraw/zinc/55/94/04/687559404.db2.gz ANWXLDXYBYJZHJ-NSHDSACASA-N 1 0 364.247 2.418 20 30 FEEDRO C#CC[C@H](CO)[NH2+]C1CCN(Cc2ccccc2Br)CC1 ZINC000883124712 687572633 /nfs/dbraw/zinc/57/26/33/687572633.db2.gz NOTOCWLPUKFIQA-MRXNPFEDSA-N 1 0 351.288 2.387 20 30 FEEDRO C=CCC[C@H]([NH2+]CC1CCN(S(=O)(=O)C(F)F)CC1)[C@H]1CCCO1 ZINC000883202670 687586879 /nfs/dbraw/zinc/58/68/79/687586879.db2.gz HTSNIHZVCUOCFU-LSDHHAIUSA-N 1 0 366.474 2.354 20 30 FEEDRO CSc1cc2c(cc1NC(=O)C1CC3(C1)C[NH2+]C[C@H]3C#N)OCCO2 ZINC000884116706 687793084 /nfs/dbraw/zinc/79/30/84/687793084.db2.gz DAFLXBOYYSXABE-BJCXPLBRSA-N 1 0 359.451 2.258 20 30 FEEDRO CN(C)[C@@H](CNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)c1ccccc1Cl ZINC000884179171 687809820 /nfs/dbraw/zinc/80/98/20/687809820.db2.gz HCLJFTZKYMRQNU-XQCDLMLLSA-N 1 0 360.889 2.198 20 30 FEEDRO N#C[C@@H]1C[NH2+]CC12CC(C(=O)NCCOc1ncc(Cl)cc1Cl)C2 ZINC000884233321 687825831 /nfs/dbraw/zinc/82/58/31/687825831.db2.gz NZLRGJXFOQVJQG-NOEPWBJOSA-N 1 0 369.252 2.023 20 30 FEEDRO N#C[C@@H]1C[NH2+]CC12CC(C(=O)N1CC[C@@H](Oc3ccccc3Cl)C1)C2 ZINC000884323797 687848423 /nfs/dbraw/zinc/84/84/23/687848423.db2.gz YSIYSPASQKOGPW-YYHKSVKZSA-N 1 0 359.857 2.459 20 30 FEEDRO CCCCCCCCNC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000884667900 687901940 /nfs/dbraw/zinc/90/19/40/687901940.db2.gz BNXGZIJMPSCWDM-CHWSQXEVSA-N 1 0 351.413 2.059 20 30 FEEDRO C#CCN(C(=O)CCCN(C)C(=O)OC(C)(C)C)C1CC[NH+](C)CC1 ZINC000886582101 688279319 /nfs/dbraw/zinc/27/93/19/688279319.db2.gz GNMAKBGLJLJBCP-UHFFFAOYSA-N 1 0 351.491 2.190 20 30 FEEDRO CC[NH+](CC)CC#C[C@H](C)OC(=O)Cc1c(Br)cnn1C ZINC000892863981 689255803 /nfs/dbraw/zinc/25/58/03/689255803.db2.gz RTCKMTZEKHGURM-LBPRGKRZSA-N 1 0 356.264 2.002 20 30 FEEDRO C#CCSCC(=O)N1CC[C@@]2(C1)CN(Cc1ccccc1)C[C@H](C)O2 ZINC000893921130 689429798 /nfs/dbraw/zinc/42/97/98/689429798.db2.gz ICERLCPNGMWAQF-PXNSSMCTSA-N 1 0 358.507 2.245 20 30 FEEDRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2ncc(C#N)s2)[C@@H](c2cnn(C)c2)C1 ZINC000896494060 689881105 /nfs/dbraw/zinc/88/11/05/689881105.db2.gz HRUCUOMTLSGEJD-HUUCEWRRSA-N 1 0 358.471 2.201 20 30 FEEDRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2ncc(C#N)s2)[C@@H](c2cnn(C)c2)C1 ZINC000896494061 689881127 /nfs/dbraw/zinc/88/11/27/689881127.db2.gz HRUCUOMTLSGEJD-LSDHHAIUSA-N 1 0 358.471 2.201 20 30 FEEDRO N#Cc1cc(Br)cnc1NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000896521432 689884803 /nfs/dbraw/zinc/88/48/03/689884803.db2.gz DKISSSBVTYFIFH-CQSZACIVSA-N 1 0 351.248 2.381 20 30 FEEDRO N#Cc1cc(Br)ccc1N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000897221575 689990062 /nfs/dbraw/zinc/99/00/62/689990062.db2.gz NISASRCRIZRKHQ-HZPDHXFCSA-N 1 0 350.260 2.356 20 30 FEEDRO C[C@H]([NH2+]C[C@H]1CCCC[C@@H]1NS(C)(=O)=O)c1ccc(OCC#N)cc1 ZINC000903233606 690872741 /nfs/dbraw/zinc/87/27/41/690872741.db2.gz JDDFADVQFHRKIZ-LESCRADOSA-N 1 0 365.499 2.348 20 30 FEEDRO C[C@H]([NH2+]C[C@H]1CCCC[C@@H]1NS(C)(=O)=O)c1ccc(C#N)cc1F ZINC000903234816 690873661 /nfs/dbraw/zinc/87/36/61/690873661.db2.gz PUEIQKCEOKNMIY-QEORTHHSSA-N 1 0 353.463 2.456 20 30 FEEDRO N#Cc1cc(S(=O)(=O)N2CCC[C@H]3CC[C@]32C[NH3+])ccc1C(F)(F)F ZINC000903536147 690915172 /nfs/dbraw/zinc/91/51/72/690915172.db2.gz ANXAUJUBPPKCHA-WFASDCNBSA-N 1 0 373.400 2.469 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2CCC[C@H]3CC[C@]32C[NH3+])cc1C(F)(F)F ZINC000903536808 690915666 /nfs/dbraw/zinc/91/56/66/690915666.db2.gz JBHJJCOPLKTOBQ-WFASDCNBSA-N 1 0 373.400 2.469 20 30 FEEDRO N#Cc1c(Cl)cccc1S(=O)(=O)N1CC[C@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903579725 690928352 /nfs/dbraw/zinc/92/83/52/690928352.db2.gz PXFCJEHINFZSCW-GXSJLCMTSA-N 1 0 367.780 2.112 20 30 FEEDRO N#Cc1c(Cl)cccc1S(=O)(=O)N1CC[C@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000903579728 690928382 /nfs/dbraw/zinc/92/83/82/690928382.db2.gz PXFCJEHINFZSCW-ONGXEEELSA-N 1 0 367.780 2.112 20 30 FEEDRO COCC[C@H]1C[NH2+]CCN1C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000904354747 691022281 /nfs/dbraw/zinc/02/22/81/691022281.db2.gz DSXJTSORYVSNCA-ZDUSSCGKSA-N 1 0 356.348 2.419 20 30 FEEDRO CN(CCC#N)C[C@H](O)C[NH+]1CC(Cc2cccc(Br)c2)C1 ZINC000905977323 691204907 /nfs/dbraw/zinc/20/49/07/691204907.db2.gz HFMJLXOQRDZKNF-KRWDZBQOSA-N 1 0 366.303 2.130 20 30 FEEDRO CC[NH2+]Cc1ccccc1NC(=O)C(=O)N(C)Cc1cc(C#N)cs1 ZINC000906712352 691305276 /nfs/dbraw/zinc/30/52/76/691305276.db2.gz WKCSTYUNHNQAKC-UHFFFAOYSA-N 1 0 356.451 2.326 20 30 FEEDRO CC[NH+](CC)Cc1ccccc1CNS(=O)(=O)c1ccc(C#N)cn1 ZINC000906819040 691321538 /nfs/dbraw/zinc/32/15/38/691321538.db2.gz MMQBECLGURZYPL-UHFFFAOYSA-N 1 0 358.467 2.274 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2CCC(C[NH+]3CCCCCC3)CC2)nc1 ZINC000906836869 691324915 /nfs/dbraw/zinc/32/49/15/691324915.db2.gz BGUMZEZXRDJMAI-UHFFFAOYSA-N 1 0 362.499 2.230 20 30 FEEDRO C[NH+](C)C[C@H]1CCCN1S(=O)(=O)c1ccc(Br)c(C#N)c1 ZINC000907053812 691382064 /nfs/dbraw/zinc/38/20/64/691382064.db2.gz XPCVMGAJSBGTOW-GFCCVEGCSA-N 1 0 372.288 2.035 20 30 FEEDRO C[NH+]1CCC2(CCN2S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)CC1 ZINC000907855516 691571125 /nfs/dbraw/zinc/57/11/25/691571125.db2.gz LLGCBSSCLCSNTC-UHFFFAOYSA-N 1 0 373.400 2.436 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)N1CC[C@@H]2[C@H](CCN2C(=O)OC(C)(C)C)C1 ZINC000908354104 691664883 /nfs/dbraw/zinc/66/48/83/691664883.db2.gz KIVIFOPSFZFMDZ-HZPDHXFCSA-N 1 0 351.491 2.352 20 30 FEEDRO CCOC(=O)c1cc(C#N)c(Cl)nc1C(F)(F)N1CCC[C@@H]2[NH2+]C[C@@H]21 ZINC001164450503 718997560 /nfs/dbraw/zinc/99/75/60/718997560.db2.gz XLHZGOUENWRZGY-RYUDHWBXSA-N 1 0 370.787 2.269 20 30 FEEDRO CC(C)N(C)Cc1nn(-c2nc(Cl)c(C#N)cc2C#N)c2c1CC[NH2+]C2 ZINC001164682024 719622037 /nfs/dbraw/zinc/62/20/37/719622037.db2.gz LGNFDIKOVLKLKI-UHFFFAOYSA-N 1 0 369.860 2.150 20 30 FEEDRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nc(C)c(C#N)cc1Cl)CC2 ZINC001164690059 719755229 /nfs/dbraw/zinc/75/52/29/719755229.db2.gz RPJVIPPTLPTOPC-UHFFFAOYSA-N 1 0 361.877 2.096 20 30 FEEDRO CNC(=O)C[N@@H+]1CCCC12CCN(c1ncc3c(c1C#N)CCCC3)CC2 ZINC001164690542 719755784 /nfs/dbraw/zinc/75/57/84/719755784.db2.gz DMBVKJUTPXSTKR-UHFFFAOYSA-N 1 0 367.497 2.013 20 30 FEEDRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2ncc(C#N)cc2F)CC1 ZINC001164827723 720330571 /nfs/dbraw/zinc/33/05/71/720330571.db2.gz HYHAOUXHTGNYBO-ZWKOTPCHSA-N 1 0 371.460 2.004 20 30 FEEDRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3cncc(CC#N)n3)CC[C@@H]21 ZINC001164843582 720585494 /nfs/dbraw/zinc/58/54/94/720585494.db2.gz YIFXNDLXWFAPBY-WDSOQIARSA-N 1 0 365.485 2.117 20 30 FEEDRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cncc(CC#N)n3)CC[C@@H]21 ZINC001164843580 720585816 /nfs/dbraw/zinc/58/58/16/720585816.db2.gz YIFXNDLXWFAPBY-NEWSRXKRSA-N 1 0 365.485 2.117 20 30 FEEDRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc(Cl)cc(C)c3C#N)CC[C@H]2C1 ZINC001164853263 720835215 /nfs/dbraw/zinc/83/52/15/720835215.db2.gz NRBICQFHCSVNLF-GOEBONIOSA-N 1 0 364.877 2.089 20 30 FEEDRO Cc1ccc(CC#N)c(N2C[C@@H]3C[N@H+](Cc4cnn(C)c4)CC[C@@H]3C2)n1 ZINC001164763208 721210733 /nfs/dbraw/zinc/21/07/33/721210733.db2.gz DSLSEUPYYNSKMR-MOPGFXCFSA-N 1 0 350.470 2.148 20 30 FEEDRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ncc(CC#N)cc4Cl)C[C@H]3C2)cn1 ZINC001164774494 721226557 /nfs/dbraw/zinc/22/65/57/721226557.db2.gz ZYBGWQDHYJPQCH-DLBZAZTESA-N 1 0 370.888 2.493 20 30 FEEDRO Cc1nc(N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)ccc1C#N ZINC001164884032 721422571 /nfs/dbraw/zinc/42/25/71/721422571.db2.gz CZNAEXZVNXBMDZ-TZIWHRDSSA-N 1 0 369.513 2.027 20 30 FEEDRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cnc(C#N)c(C#N)n1)CC2 ZINC001164796933 721501632 /nfs/dbraw/zinc/50/16/32/721501632.db2.gz ZMEOJEMWRYKVLU-UHFFFAOYSA-N 1 0 373.464 2.496 20 30 FEEDRO N#Cc1c(Cl)ncnc1N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164897124 721520244 /nfs/dbraw/zinc/52/02/44/721520244.db2.gz DSHHFENLLMTUJW-ZFWWWQNUSA-N 1 0 373.819 2.483 20 30 FEEDRO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2C(F)(F)c1cnc(Cl)cc1C#N ZINC001164922414 721873123 /nfs/dbraw/zinc/87/31/23/721873123.db2.gz GQNUWXWYYLALAX-CABCVRRESA-N 1 0 369.847 2.366 20 30 FEEDRO N#Cc1ccc(-c2ccncc2)nc1N1C[C@@H]2C[N@@H+](CC3CC3)C[C@H](C1)O2 ZINC001164966981 722074718 /nfs/dbraw/zinc/07/47/18/722074718.db2.gz IHBRQPYJKCDGNP-KDURUIRLSA-N 1 0 361.449 2.315 20 30 FEEDRO CN(CC[N@H+](C)C1CC1)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 ZINC000473787194 818350250 /nfs/dbraw/zinc/35/02/50/818350250.db2.gz NTOFRIQBXRATEN-UHFFFAOYSA-N 1 0 356.405 2.441 20 30 FEEDRO CC(C)[C@@H]1C[NH2+]CCN1C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 ZINC000528687585 829519587 /nfs/dbraw/zinc/51/95/87/829519587.db2.gz PMXPTLUAXBFTLH-INIZCTEOSA-N 1 0 356.405 2.345 20 30 FEEDRO Cc1nc(NCCCC[NH+]2CCN(c3ncccn3)CC2)ccc1C#N ZINC000488063194 889282829 /nfs/dbraw/zinc/28/28/29/889282829.db2.gz JJDPCJRKHKERTN-UHFFFAOYSA-N 1 0 351.458 2.066 20 30 FEEDRO Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NCC[NH+](C(C)C)C(C)C ZINC000025071054 539748393 /nfs/dbraw/zinc/74/83/93/539748393.db2.gz XUMMQNKKIHMRQY-UHFFFAOYSA-N 1 0 370.501 2.385 20 30 FEEDRO CC1(C)CC(NC(=O)N2CCN(c3cc(C#N)ccn3)CC2)CC(C)(C)[NH2+]1 ZINC000026179308 539779066 /nfs/dbraw/zinc/77/90/66/539779066.db2.gz YTYKWMQWFJVIRL-UHFFFAOYSA-N 1 0 370.501 2.094 20 30 FEEDRO C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)NC(=O)CO2)C(=O)NC1(C#N)CCCCC1 ZINC000027034713 539799896 /nfs/dbraw/zinc/79/98/96/539799896.db2.gz HDEDHIHAUFPYLQ-UONOGXRCSA-N 1 0 370.453 2.399 20 30 FEEDRO N#Cc1ccccc1OCC(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000031960397 539925143 /nfs/dbraw/zinc/92/51/43/539925143.db2.gz AKJDXTCSZBFJPE-UHFFFAOYSA-N 1 0 359.495 2.415 20 30 FEEDRO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1cccc(OCC#N)c1)C1CCCCC1 ZINC000041642388 540028272 /nfs/dbraw/zinc/02/82/72/540028272.db2.gz PWTCHEXAEXWWJZ-SFHVURJKSA-N 1 0 372.469 2.154 20 30 FEEDRO C[NH+](C)C1(CNC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)CCCC1 ZINC000043147605 540091733 /nfs/dbraw/zinc/09/17/33/540091733.db2.gz XEJISYCNOKTOTA-UHFFFAOYSA-N 1 0 369.513 2.260 20 30 FEEDRO CC(C)OC(=O)CCNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000045217218 540207248 /nfs/dbraw/zinc/20/72/48/540207248.db2.gz IFVCRSYQBKZNOB-UHFFFAOYSA-N 1 0 372.469 2.117 20 30 FEEDRO CC[NH+]1CCN(Cc2ccc(CNC(=O)N(C)C[C@H](C)C#N)cc2)CC1 ZINC000046121473 540243257 /nfs/dbraw/zinc/24/32/57/540243257.db2.gz WXAFLQJRXBGJDA-QGZVFWFLSA-N 1 0 357.502 2.125 20 30 FEEDRO N#Cc1ccc(NC(=O)C[NH2+][C@H](C2CC2)[C@]2(CO)CCCO2)cc1Cl ZINC000550502330 674098951 /nfs/dbraw/zinc/09/89/51/674098951.db2.gz HCJFQPDEHOAANR-QZTJIDSGSA-N 1 0 363.845 2.060 20 30 FEEDRO C[C@H](NC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1)c1ccc(C#N)cc1 ZINC000051761591 540443674 /nfs/dbraw/zinc/44/36/74/540443674.db2.gz AIQVHFOSYHSVPF-INIZCTEOSA-N 1 0 369.513 2.477 20 30 FEEDRO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000076300392 542257121 /nfs/dbraw/zinc/25/71/21/542257121.db2.gz QFVFMXBZCAFHQT-LLVKDONJSA-N 1 0 370.375 2.362 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N=c2cc(C)n([C@H](C)CC)[nH]2)CC1 ZINC000538379616 540850305 /nfs/dbraw/zinc/85/03/05/540850305.db2.gz XNTNDBHRPXWQDO-CQSZACIVSA-N 1 0 361.490 2.258 20 30 FEEDRO C[C@@H]1CCCCN1S(=O)(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000060756459 541121205 /nfs/dbraw/zinc/12/12/05/541121205.db2.gz LVOVGYWVGLHUFR-MRXNPFEDSA-N 1 0 364.515 2.041 20 30 FEEDRO N#Cc1cccc(NC(=O)C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000061970105 541142479 /nfs/dbraw/zinc/14/24/79/541142479.db2.gz FDFKMBJRFFAHTH-UHFFFAOYSA-N 1 0 362.433 2.409 20 30 FEEDRO CCCCNC(=O)[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000065253951 541230815 /nfs/dbraw/zinc/23/08/15/541230815.db2.gz VDUSDALLVLEEHD-FRQCXROJSA-N 1 0 350.507 2.058 20 30 FEEDRO Cc1ccc([C@H](CNC(=O)C(=O)Nc2ccc(C#N)cc2)[NH+](C)C)cc1 ZINC000065601293 541247731 /nfs/dbraw/zinc/24/77/31/541247731.db2.gz ZRWAUNCCQJPFRT-SFHVURJKSA-N 1 0 350.422 2.224 20 30 FEEDRO N#Cc1cccc(NC(=O)C(=O)N2CC[NH+](CC3CCCCC3)CC2)c1 ZINC000065642395 541251133 /nfs/dbraw/zinc/25/11/33/541251133.db2.gz SMZKLOFCSSLXCH-UHFFFAOYSA-N 1 0 354.454 2.221 20 30 FEEDRO C[C@@H](CNC(=O)c1ccc(-n2ncc(C#N)c2N)cc1)C[NH+]1CCCCC1 ZINC000066240941 541294163 /nfs/dbraw/zinc/29/41/63/541294163.db2.gz LTYRAXPNILBQHC-HNNXBMFYSA-N 1 0 366.469 2.178 20 30 FEEDRO CC[C@H](C)[N@H+](C)CCNC(=O)N1CCN(c2cccc(F)c2C#N)CC1 ZINC000066196124 541289684 /nfs/dbraw/zinc/28/96/84/541289684.db2.gz WCFTYBOLYGCJOC-HNNXBMFYSA-N 1 0 361.465 2.259 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N(C)C2CCN(C(=O)c3ccccc3)CC2)CC1 ZINC000066546300 541334370 /nfs/dbraw/zinc/33/43/70/541334370.db2.gz BYIKMDOVEAILCD-UHFFFAOYSA-N 1 0 367.493 2.095 20 30 FEEDRO N#Cc1ccc(N2CCC([NH2+]Cc3cccc4c3OCCO4)CC2)nc1 ZINC000067010921 541406027 /nfs/dbraw/zinc/40/60/27/541406027.db2.gz OFWLOYXGFHJEAQ-UHFFFAOYSA-N 1 0 350.422 2.483 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CCC[C@H](CNC(C)=O)C1 ZINC000067413658 541459790 /nfs/dbraw/zinc/45/97/90/541459790.db2.gz HRUNGIOVUMUSOA-NVXWUHKLSA-N 1 0 363.527 2.499 20 30 FEEDRO CC(=O)NC[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000067414833 541460359 /nfs/dbraw/zinc/46/03/59/541460359.db2.gz OJWXHSXZXJMBAT-AWEZNQCLSA-N 1 0 362.861 2.388 20 30 FEEDRO Cc1cccc(OC[C@@H](O)C[N@@H+]2CCCN(c3ncccc3C#N)CC2)c1 ZINC000067460049 541466602 /nfs/dbraw/zinc/46/66/02/541466602.db2.gz UIVMVXDBVXOYSA-IBGZPJMESA-N 1 0 366.465 2.214 20 30 FEEDRO C[C@H]1CN(C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)C[C@H]1[NH+](C)C ZINC000542962181 541509676 /nfs/dbraw/zinc/50/96/76/541509676.db2.gz QPRGWXISXHTBCN-BLLLJJGKSA-N 1 0 356.405 2.297 20 30 FEEDRO Cc1cc(NC(=O)CON=C(N)c2ccccc2C[NH+]2CCCCC2)no1 ZINC000068956720 541644264 /nfs/dbraw/zinc/64/42/64/541644264.db2.gz UMUMRVKKFPBXHN-UHFFFAOYSA-N 1 0 371.441 2.245 20 30 FEEDRO CC[C@@H](C)[C@H](NC(=O)C[N@H+](Cc1ccc(C#N)cc1)C(C)C)C(=O)OC ZINC000069520640 541693270 /nfs/dbraw/zinc/69/32/70/541693270.db2.gz PLLRDTINEWTEBP-BEFAXECRSA-N 1 0 359.470 2.473 20 30 FEEDRO CCCC[N@H+](CCC(=O)Nc1cccc(C#N)c1)[C@H]1CCS(=O)(=O)C1 ZINC000072629346 541841003 /nfs/dbraw/zinc/84/10/03/541841003.db2.gz GOSRZPUGNDHVID-KRWDZBQOSA-N 1 0 363.483 2.176 20 30 FEEDRO N#Cc1ccc(NC(=O)C[NH2+]C2(CO)Cc3ccccc3C2)cc1Cl ZINC000074326715 542070719 /nfs/dbraw/zinc/07/07/19/542070719.db2.gz DOPBPCVKHKAAAL-UHFFFAOYSA-N 1 0 355.825 2.270 20 30 FEEDRO C[C@@H](C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1)[NH+]1CCCCCC1 ZINC000074674042 542111993 /nfs/dbraw/zinc/11/19/93/542111993.db2.gz OOLPLIYTRHWDEP-AZUAARDMSA-N 1 0 354.498 2.487 20 30 FEEDRO CC[NH+]1CCN(CCC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)CC1 ZINC000075536204 542186348 /nfs/dbraw/zinc/18/63/48/542186348.db2.gz AJARLTZONXQSRU-PMACEKPBSA-N 1 0 354.498 2.312 20 30 FEEDRO CCN(CCC[NH+]1CCN(c2ccc(C#N)nc2)CC1)CC(F)(F)F ZINC000801552438 674134698 /nfs/dbraw/zinc/13/46/98/674134698.db2.gz BNGALSSTPPTPSW-UHFFFAOYSA-N 1 0 355.408 2.350 20 30 FEEDRO C=CCN1C(=O)c2ccc(C(=O)N(C)[C@H]3CC[N@@H+](CC)C[C@H]3C)cc2C1=O ZINC000076483339 542283913 /nfs/dbraw/zinc/28/39/13/542283913.db2.gz DKHHIPRNRTUPLR-KDOFPFPSSA-N 1 0 369.465 2.271 20 30 FEEDRO CCOc1ccc(C#N)cc1NC(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000076589397 542297306 /nfs/dbraw/zinc/29/73/06/542297306.db2.gz OUYQOTARTHVGLZ-MQVJKMGUSA-N 1 0 370.453 2.027 20 30 FEEDRO CCN(C[C@@H](C)C#N)C(=O)CN1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000076842726 542326294 /nfs/dbraw/zinc/32/62/94/542326294.db2.gz SKCIZVXTUJYODG-KRWDZBQOSA-N 1 0 360.477 2.342 20 30 FEEDRO CC(=O)N[C@H](CC(=O)NC1(C#N)CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000077039165 542342646 /nfs/dbraw/zinc/34/26/46/542342646.db2.gz SFQSKYQKAMQXGD-MRXNPFEDSA-N 1 0 362.861 2.011 20 30 FEEDRO C=C(Cl)CNC(=O)C(=O)Nc1ccc(OCC[NH+](CC)CC)cc1 ZINC000077778674 542419715 /nfs/dbraw/zinc/41/97/15/542419715.db2.gz DYPDVJCTHLLABJ-UHFFFAOYSA-N 1 0 353.850 2.214 20 30 FEEDRO CCCNC(=O)[C@@H]1CCC[N@H+](CC(=O)N(CCC#N)c2ccccc2)C1 ZINC000051003039 221033043 /nfs/dbraw/zinc/03/30/43/221033043.db2.gz RENGOLUZWTXKSX-QGZVFWFLSA-N 1 0 356.470 2.171 20 30 FEEDRO C=C(C)CN(CC)C(=O)C[N@@H+]1CCC[C@@H](C(=O)Nc2cccc(C)n2)C1 ZINC000054204383 221051783 /nfs/dbraw/zinc/05/17/83/221051783.db2.gz YBBNVZMTZUHSBX-QGZVFWFLSA-N 1 0 358.486 2.465 20 30 FEEDRO CO[C@@H](C)c1nc(CN2CCC[N@H+](CCO[C@@H](C)C#N)CC2)cs1 ZINC000801926684 674155371 /nfs/dbraw/zinc/15/53/71/674155371.db2.gz UYRJSOWSEOWBEX-GJZGRUSLSA-N 1 0 352.504 2.287 20 30 FEEDRO C#CCNC(=O)C[NH2+][C@H]1CCN(C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000801951219 674156428 /nfs/dbraw/zinc/15/64/28/674156428.db2.gz SMGYKSBZRVLPRD-FUHWJXTLSA-N 1 0 351.853 2.342 20 30 FEEDRO COC1CC[NH+](CCNC(=O)[C@@H](Oc2ccccc2C#N)C(C)C)CC1 ZINC000079683236 542535521 /nfs/dbraw/zinc/53/55/21/542535521.db2.gz WYCUDMRYVRZXEX-IBGZPJMESA-N 1 0 359.470 2.189 20 30 FEEDRO C[NH+]=C(NCc1cc(N(C)C)nc2ccccc12)N1CC[C@@H](COC)C1 ZINC000086725207 542740476 /nfs/dbraw/zinc/74/04/76/542740476.db2.gz CPPSLNXUWRRSKA-OAHLLOKOSA-N 1 0 355.486 2.345 20 30 FEEDRO C[NH+]=C(NCc1cnc(N(C)C)n1C)N[C@H](C)c1ccc(F)c(F)c1 ZINC000087193103 542743251 /nfs/dbraw/zinc/74/32/51/542743251.db2.gz GMBVYOIWJSEDJQ-LLVKDONJSA-N 1 0 350.417 2.191 20 30 FEEDRO CC(C)(C)OC(=O)N1CCN2C(NCc3ccc(Cl)nc3)=[NH+]C[C@H]2C1 ZINC000089120295 542758096 /nfs/dbraw/zinc/75/80/96/542758096.db2.gz NUFULIVSGWPUMI-ZDUSSCGKSA-N 1 0 365.865 2.116 20 30 FEEDRO Cc1nc(C)c(CNC(NCC(=O)N(C)C)=[NH+][C@@H]2C[C@H]3CC[C@@H]2C3)s1 ZINC000089018159 542758208 /nfs/dbraw/zinc/75/82/08/542758208.db2.gz RAIUCUKPRUSVKY-RRFJBIMHSA-N 1 0 363.531 2.072 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)Cn2ccc3cc(OC)ccc32)c1C#N ZINC000089677589 542768375 /nfs/dbraw/zinc/76/83/75/542768375.db2.gz ZAKROILMEXQDNS-UHFFFAOYSA-N 1 0 366.425 2.035 20 30 FEEDRO Cc1nn(-c2ccccc2)c(CN2CC[NH+](C[C@H]3CCOC3)CC2)c1C#N ZINC000091071929 542793160 /nfs/dbraw/zinc/79/31/60/542793160.db2.gz MRIUDMDCQHRAHV-GOSISDBHSA-N 1 0 365.481 2.207 20 30 FEEDRO CC(C)[C@H](C#N)N1CCN(C(=O)C[NH2+]C2(c3ccc(F)cc3)CC2)CC1 ZINC000091619150 542816023 /nfs/dbraw/zinc/81/60/23/542816023.db2.gz LICXEALRASWMPP-SFHVURJKSA-N 1 0 358.461 2.097 20 30 FEEDRO C[C@@H]1C[NH+](C[C@@H]2CCCN2Cc2cnc3ccc(C#N)cn23)C[C@@H](C)O1 ZINC000092506607 542867667 /nfs/dbraw/zinc/86/76/67/542867667.db2.gz LVGUUKFHELNPRR-NUJGCVRESA-N 1 0 353.470 2.280 20 30 FEEDRO N#CCCn1cc(C[N@H+]2CCCN(C(N)=O)CC2)c(-c2ccccc2)n1 ZINC000092753997 542885001 /nfs/dbraw/zinc/88/50/01/542885001.db2.gz MTNQOWPHPBXEEJ-UHFFFAOYSA-N 1 0 352.442 2.050 20 30 FEEDRO N#C[C@H]1CN(C(=O)[C@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000247438992 549334145 /nfs/dbraw/zinc/33/41/45/549334145.db2.gz ZROTUOPRJMTAOB-RDJZCZTQSA-N 1 0 367.371 2.192 20 30 FEEDRO Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000247451449 549334578 /nfs/dbraw/zinc/33/45/78/549334578.db2.gz QGTFLOYDWFXLTF-SUMWQHHRSA-N 1 0 368.485 2.092 20 30 FEEDRO C[NH+]1CCN(Cc2ccc(C(=O)NCc3ccc(C#N)cc3F)cc2)CC1 ZINC000105653642 543179012 /nfs/dbraw/zinc/17/90/12/543179012.db2.gz JTAGBNHWESVERY-UHFFFAOYSA-N 1 0 366.440 2.375 20 30 FEEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+](C[C@@H](C)O)C(C)C ZINC000107042456 543260081 /nfs/dbraw/zinc/26/00/81/543260081.db2.gz FPCRKHOMAFLLTL-CQSZACIVSA-N 1 0 364.490 2.043 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N2CCC([C@@H](O)c3ccc(F)cc3)CC2)CC1 ZINC000108458632 543290685 /nfs/dbraw/zinc/29/06/85/543290685.db2.gz ROJJJFOUPSKFJJ-FQEVSTJZSA-N 1 0 358.457 2.443 20 30 FEEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000109404202 543324065 /nfs/dbraw/zinc/32/40/65/543324065.db2.gz XUHFTZSNJBVFDZ-MRXNPFEDSA-N 1 0 358.486 2.033 20 30 FEEDRO C[NH+](C)[C@@H]1CCN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)C1 ZINC000109404078 543324318 /nfs/dbraw/zinc/32/43/18/543324318.db2.gz DYAGJAWWHOUXRX-HZPDHXFCSA-N 1 0 359.449 2.012 20 30 FEEDRO C=CCN1C(=O)c2ccc(C(=O)NC[C@H]3CCCC[N@H+]3CC)cc2C1=O ZINC000110998301 543378622 /nfs/dbraw/zinc/37/86/22/543378622.db2.gz YGZYNVMWKQWQPW-OAHLLOKOSA-N 1 0 355.438 2.073 20 30 FEEDRO COc1ccc(OC)c(C[N@H+](CCO)CCOc2ccc(C#N)cc2)c1 ZINC000111271515 543391820 /nfs/dbraw/zinc/39/18/20/543391820.db2.gz PCRQBNSAZBLLCH-UHFFFAOYSA-N 1 0 356.422 2.449 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1n[nH]c(=O)c2ccccc21)C(C)C ZINC000112919770 543468441 /nfs/dbraw/zinc/46/84/41/543468441.db2.gz FKNDPFSYEAVNNV-QGZVFWFLSA-N 1 0 354.454 2.352 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1ccc2c(c1)[nH]c(=O)n2C)C(C)C ZINC000112919886 543468571 /nfs/dbraw/zinc/46/85/71/543468571.db2.gz VPRDOKKFESAITF-GOSISDBHSA-N 1 0 356.470 2.295 20 30 FEEDRO O=C(NCC[NH2+]Cc1ccc(N2CCCCC2)cc1)C1N=CC=CC1=O ZINC000113361082 543484587 /nfs/dbraw/zinc/48/45/87/543484587.db2.gz COMQYKQAUQPXFV-VXPUYCOJSA-N 1 0 354.454 2.293 20 30 FEEDRO CN(C)CC[NH+]1CCC(CNC(=O)CSCc2ccc(C#N)cc2)CC1 ZINC000114382368 543512526 /nfs/dbraw/zinc/51/25/26/543512526.db2.gz BKWAMAOZCGUYHK-UHFFFAOYSA-N 1 0 374.554 2.181 20 30 FEEDRO N#C[C@@H]1CN(C(=O)NC2CC[NH+](C3CC3)CC2)CCN1Cc1ccccc1 ZINC000114585240 543524549 /nfs/dbraw/zinc/52/45/49/543524549.db2.gz JQAXNKORJHTIMI-HXUWFJFHSA-N 1 0 367.497 2.033 20 30 FEEDRO C[NH+](C)Cc1cc(CNC(=O)C(=O)Nc2ccc(F)c(C#N)c2)ccc1F ZINC000115880465 543592558 /nfs/dbraw/zinc/59/25/58/543592558.db2.gz LTWMSZZMHPKXQQ-UHFFFAOYSA-N 1 0 372.375 2.153 20 30 FEEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000118101896 543645855 /nfs/dbraw/zinc/64/58/55/543645855.db2.gz XWOVQZGXXXFAAB-CZUORRHYSA-N 1 0 374.510 2.333 20 30 FEEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000118897874 543662035 /nfs/dbraw/zinc/66/20/35/543662035.db2.gz SXPBGNGUNAHRCR-CABCVRRESA-N 1 0 374.510 2.335 20 30 FEEDRO C[NH+](C)CCOc1ccccc1CNC(=O)COc1ccccc1C#N ZINC000122723452 543720089 /nfs/dbraw/zinc/72/00/89/543720089.db2.gz WLPVKSYYEZDFKD-UHFFFAOYSA-N 1 0 353.422 2.194 20 30 FEEDRO C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2cccc(C#N)c2)C[N@@H+]1Cc1ccccc1 ZINC000122818624 543725212 /nfs/dbraw/zinc/72/52/12/543725212.db2.gz OQLUZDFGBPBMDR-DNVCBOLYSA-N 1 0 362.433 2.276 20 30 FEEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)NCCc3cccnc3)CC2)cc1 ZINC000122874267 543729250 /nfs/dbraw/zinc/72/92/50/543729250.db2.gz FWUAOXLJOQMMRC-UHFFFAOYSA-N 1 0 363.465 2.413 20 30 FEEDRO C[C@H]1C[C@H](NC(=O)C(=O)Nc2ccc(C#N)cc2)C[N@@H+]1Cc1ccccc1 ZINC000122916587 543731434 /nfs/dbraw/zinc/73/14/34/543731434.db2.gz HIQMVCCTWFCYST-KXBFYZLASA-N 1 0 362.433 2.276 20 30 FEEDRO C=CCOc1cccc(NC(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)c1 ZINC000122044675 543702581 /nfs/dbraw/zinc/70/25/81/543702581.db2.gz YJIUINULIHADLZ-CRAIPNDOSA-N 1 0 357.454 2.133 20 30 FEEDRO Cc1cc(Cl)ccc1NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C ZINC000122102865 543703217 /nfs/dbraw/zinc/70/32/17/543703217.db2.gz JGPCLKVSDCSSHR-UHFFFAOYSA-N 1 0 350.850 2.281 20 30 FEEDRO C[NH+](C)CC(C)(C)CNC(=O)C(=O)Nc1cccc(OCCCC#N)c1 ZINC000122127387 543703928 /nfs/dbraw/zinc/70/39/28/543703928.db2.gz ZFGYKFVBLSIYHQ-UHFFFAOYSA-N 1 0 360.458 2.012 20 30 FEEDRO COC(=O)COc1cccc(C[NH2+]Cc2cnc3ccc(C#N)cn23)c1 ZINC000123782186 543782616 /nfs/dbraw/zinc/78/26/16/543782616.db2.gz CDZAXPPALVWISU-UHFFFAOYSA-N 1 0 350.378 2.048 20 30 FEEDRO COc1cc([C@@H](C)[NH2+]Cc2cnc3ccc(C#N)cn23)ccc1OCCO ZINC000123432826 543761524 /nfs/dbraw/zinc/76/15/24/543761524.db2.gz YJAOVXZUXGTVEY-CQSZACIVSA-N 1 0 366.421 2.436 20 30 FEEDRO CCC[NH+]1CCC(N(C)S(=O)(=O)c2c(F)cc(C#N)cc2F)CC1 ZINC000124464471 543823367 /nfs/dbraw/zinc/82/33/67/543823367.db2.gz IRUMSUUAJHYSGW-UHFFFAOYSA-N 1 0 357.426 2.331 20 30 FEEDRO CC[NH+]=C(NCc1c(C)noc1C)N1CCN([C@H](C)C(F)(F)F)CC1 ZINC000124009333 543796171 /nfs/dbraw/zinc/79/61/71/543796171.db2.gz NDBFWCAOCFHIMP-CYBMUJFWSA-N 1 0 361.412 2.325 20 30 FEEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N(C)CC[NH+]1CCCC1 ZINC000124227469 543808520 /nfs/dbraw/zinc/80/85/20/543808520.db2.gz YECUCTAUPRLXFQ-HNNXBMFYSA-N 1 0 374.510 2.431 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3N2c2ncccn2)CC1 ZINC000124891117 543849292 /nfs/dbraw/zinc/84/92/92/543849292.db2.gz WZZOCZJXMBFOIJ-NEWSRXKRSA-N 1 0 369.513 2.381 20 30 FEEDRO C=CCOc1cc(OC)ccc1C(=O)NC[C@H](C)N1CC[NH+](CC)CC1 ZINC000125092617 543859668 /nfs/dbraw/zinc/85/96/68/543859668.db2.gz PWLACAFPDAFBQO-INIZCTEOSA-N 1 0 361.486 2.016 20 30 FEEDRO CCc1cccc(CC)c1NC(=O)C[N@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000125462006 543882986 /nfs/dbraw/zinc/88/29/86/543882986.db2.gz OMWFZCGZSIJVOA-UHFFFAOYSA-N 1 0 368.485 2.491 20 30 FEEDRO C=CCOc1cc(OC)ccc1C(=O)NC1CC[NH+](CCCOC)CC1 ZINC000127094635 543971875 /nfs/dbraw/zinc/97/18/75/543971875.db2.gz NHISPVRJYVYVOP-UHFFFAOYSA-N 1 0 362.470 2.491 20 30 FEEDRO C#CCCOc1ccc(C[N@H+]2CCCN(CC(=O)N3CCCC3)CC2)cc1 ZINC000129308832 544104459 /nfs/dbraw/zinc/10/44/59/544104459.db2.gz XQYKEXKUJOBGDX-UHFFFAOYSA-N 1 0 369.509 2.219 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N(CC(=O)OCC)[C@@H](C)c2ccccc2)CC1 ZINC000129333373 544105975 /nfs/dbraw/zinc/10/59/75/544105975.db2.gz HKWXPRZRGVLFBA-KRWDZBQOSA-N 1 0 356.466 2.485 20 30 FEEDRO C#CCOc1cccc(NC(=O)NCc2ccnc(OCC[NH+](C)C)c2)c1 ZINC000129670813 544122645 /nfs/dbraw/zinc/12/26/45/544122645.db2.gz UZINHARRAASSDD-UHFFFAOYSA-N 1 0 368.437 2.356 20 30 FEEDRO C[NH+](C)C[C@H]1CCN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)C1 ZINC000129951531 544133053 /nfs/dbraw/zinc/13/30/53/544133053.db2.gz SRSMXJFWGPEVPM-SJORKVTESA-N 1 0 373.476 2.259 20 30 FEEDRO C=C(C)Cn1c(SCC(=O)NCC[N@@H+](C)CC)nnc1-c1ccco1 ZINC000130981795 544172966 /nfs/dbraw/zinc/17/29/66/544172966.db2.gz CXGHPTGXTBRVGM-UHFFFAOYSA-N 1 0 363.487 2.274 20 30 FEEDRO CC[NH+](CC)CCOc1ccccc1NC(=O)C(=O)N(C)[C@H](C)CC#N ZINC000132146268 544220607 /nfs/dbraw/zinc/22/06/07/544220607.db2.gz KACDOBBUNQXJGQ-OAHLLOKOSA-N 1 0 360.458 2.106 20 30 FEEDRO CC(C)Oc1ccc(NC(=O)C(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)cc1C#N ZINC000134141377 544295762 /nfs/dbraw/zinc/29/57/62/544295762.db2.gz GDPKRCRVHQNXNF-OAHLLOKOSA-N 1 0 372.469 2.084 20 30 FEEDRO COc1cc(C#N)ccc1OCCCC(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000141560813 544413802 /nfs/dbraw/zinc/41/38/02/544413802.db2.gz LFTRFFLFNATVFY-QGZVFWFLSA-N 1 0 357.454 2.423 20 30 FEEDRO CN(C(=O)c1ccc(NC(=O)C2(C#N)CCC2)cc1)[C@@H]1CCC[N@H+](C)C1 ZINC000151782237 544579014 /nfs/dbraw/zinc/57/90/14/544579014.db2.gz HKGJBSGBCYETGW-QGZVFWFLSA-N 1 0 354.454 2.485 20 30 FEEDRO CCC(CC)[C@H](CNC(=O)CNc1cccc(C#N)c1)[NH+]1CCOCC1 ZINC000152579035 544670873 /nfs/dbraw/zinc/67/08/73/544670873.db2.gz SZKIAXJPBGZBJM-IBGZPJMESA-N 1 0 358.486 2.223 20 30 FEEDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2S(=O)(=O)c2ccc(Cl)cc2C#N)C1 ZINC000152888422 544707287 /nfs/dbraw/zinc/70/72/87/544707287.db2.gz BANWSNUAZPTAGN-IUODEOHRSA-N 1 0 353.875 2.316 20 30 FEEDRO CCO[C@@H]1C[C@@H](O)C12CC[NH+](CCC(=O)Nc1ccccc1C#N)CC2 ZINC000152908013 544709338 /nfs/dbraw/zinc/70/93/38/544709338.db2.gz WTQMJVUCTUUXOZ-QZTJIDSGSA-N 1 0 357.454 2.139 20 30 FEEDRO C[N@H+](CCCc1[nH]nc(N)c1C#N)CC(=O)Nc1cc(Cl)ccc1F ZINC000153296878 544757018 /nfs/dbraw/zinc/75/70/18/544757018.db2.gz XTQXTNOHGSRWJI-UHFFFAOYSA-N 1 0 364.812 2.159 20 30 FEEDRO C[C@H](C(=O)Nc1ccc(F)c(F)c1)[N@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000153326216 544761815 /nfs/dbraw/zinc/76/18/15/544761815.db2.gz OYXQQCUWMYCTAW-SNVBAGLBSA-N 1 0 362.384 2.033 20 30 FEEDRO C[NH+]=C(NC[C@@H](C)Sc1ccccc1)N[C@H]1CCc2nc(C)nn2C1 ZINC000153397096 544770350 /nfs/dbraw/zinc/77/03/50/544770350.db2.gz IVYLSPNSBXGZMO-HIFRSBDPSA-N 1 0 358.515 2.247 20 30 FEEDRO N#Cc1cccnc1N1CCC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000153766285 544819880 /nfs/dbraw/zinc/81/98/80/544819880.db2.gz XLLZRGVYASZFMK-GOSISDBHSA-N 1 0 367.409 2.107 20 30 FEEDRO C=C(C)CN(CC)C(=O)[C@H](C)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000153941657 544843069 /nfs/dbraw/zinc/84/30/69/544843069.db2.gz UFNSOOSUZJGPDT-UFYCRDLUSA-N 1 0 364.578 2.290 20 30 FEEDRO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1CCC(OCCCO)CC1 ZINC000154834728 544956344 /nfs/dbraw/zinc/95/63/44/544956344.db2.gz UKXYWPZSSMUWDP-GNZRSQJKSA-N 1 0 365.518 2.169 20 30 FEEDRO C[C@@H](c1ccc(C#N)cc1)[NH+]1CCC(CNC(=O)c2cnn(C)c2)CC1 ZINC000154883827 544961259 /nfs/dbraw/zinc/96/12/59/544961259.db2.gz DQDJXNBNRLOQEZ-HNNXBMFYSA-N 1 0 351.454 2.495 20 30 FEEDRO C=CCN1C(=S)N=NC1c1sc(NC(=O)[C@@H]([NH3+])[C@H](C)CC)nc1C ZINC000155271062 545006597 /nfs/dbraw/zinc/00/65/97/545006597.db2.gz ROVRINNMMPCVMI-SCZZXKLOSA-N 1 0 366.516 2.497 20 30 FEEDRO Cn1cc(C[NH2+]C2CCC(S(C)(=O)=O)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000180243234 327677812 /nfs/dbraw/zinc/67/78/12/327677812.db2.gz VIWNKNHNXGDORF-UHFFFAOYSA-N 1 0 372.494 2.404 20 30 FEEDRO C[C@H]([NH2+]C[C@H](O)c1ccc(C#N)cc1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000180539558 327689981 /nfs/dbraw/zinc/68/99/81/327689981.db2.gz QRIFWCCPIQUQNR-LIRRHRJNSA-N 1 0 373.478 2.193 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CCCC(F)(F)C2)CC1 ZINC000553713022 674281332 /nfs/dbraw/zinc/28/13/32/674281332.db2.gz WUBJBBMHYKJXKG-AWEZNQCLSA-N 1 0 357.445 2.085 20 30 FEEDRO CCOC(=O)c1nn(C)cc1C[NH2+]CCSCc1ccccc1C#N ZINC000186298433 327956052 /nfs/dbraw/zinc/95/60/52/327956052.db2.gz HUCQVHXKPDFGGO-UHFFFAOYSA-N 1 0 358.467 2.491 20 30 FEEDRO CN1CC[NH+]([C@H]2CCCCN(C(=O)C3(c4ccc(C#N)cc4)CC3)C2)CC1 ZINC000187495625 328029803 /nfs/dbraw/zinc/02/98/03/328029803.db2.gz FUKYZWNXWOHCTP-FQEVSTJZSA-N 1 0 366.509 2.218 20 30 FEEDRO C[C@@H]1C[N@@H+](CC2CCN(C(=O)c3ccc(C#N)c(O)c3)CC2)C[C@H](C)O1 ZINC000187988545 328058525 /nfs/dbraw/zinc/05/85/25/328058525.db2.gz XXEVPTKECVYBQH-GASCZTMLSA-N 1 0 357.454 2.225 20 30 FEEDRO Cc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000189391216 328145102 /nfs/dbraw/zinc/14/51/02/328145102.db2.gz AWNSKZFIBCDYQQ-QGZVFWFLSA-N 1 0 354.454 2.282 20 30 FEEDRO COC(=O)c1ccc(C[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 ZINC000190838478 328235478 /nfs/dbraw/zinc/23/54/78/328235478.db2.gz XFROVIVZMKPQHY-IBGZPJMESA-N 1 0 363.417 2.236 20 30 FEEDRO CC(C)[NH+](CCNC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C)C(C)C ZINC000192495001 328322398 /nfs/dbraw/zinc/32/23/98/328322398.db2.gz FOOSLQXOTQROEH-UHFFFAOYSA-N 1 0 361.490 2.288 20 30 FEEDRO CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000192742899 328336625 /nfs/dbraw/zinc/33/66/25/328336625.db2.gz SINMSHQMQOFEIX-UHFFFAOYSA-N 1 0 373.501 2.432 20 30 FEEDRO C[C@@H](C[NH+]1CCCCCC1)NC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000193310371 328368118 /nfs/dbraw/zinc/36/81/18/328368118.db2.gz DQSKRAKBWYLSFD-HNNXBMFYSA-N 1 0 373.501 2.434 20 30 FEEDRO N#Cc1cccc(NC(=O)C(=O)NCc2cccc(C[NH+]3CCCC3)c2)c1 ZINC000041525857 324510082 /nfs/dbraw/zinc/51/00/82/324510082.db2.gz IQROVWLYUFBJJC-UHFFFAOYSA-N 1 0 362.433 2.409 20 30 FEEDRO Cc1ccc(C#N)cc1NC(=O)C(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000057666484 324829340 /nfs/dbraw/zinc/82/93/40/324829340.db2.gz CMORKNDHPOMIGN-UHFFFAOYSA-N 1 0 356.470 2.434 20 30 FEEDRO CCOc1ccc(C#N)cc1NC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000078523014 325049558 /nfs/dbraw/zinc/04/95/58/325049558.db2.gz WPLRUPZWSFWMAO-INIZCTEOSA-N 1 0 358.442 2.143 20 30 FEEDRO N#Cc1cccc(NC(=O)C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000078728697 325060003 /nfs/dbraw/zinc/06/00/03/325060003.db2.gz GSAMUYHMXSOIMF-IBGZPJMESA-N 1 0 362.433 2.278 20 30 FEEDRO CC(C)[C@@H](CNC(=O)C(=O)Nc1cc(C#N)ccc1Cl)[NH+]1CCCC1 ZINC000088771107 325300660 /nfs/dbraw/zinc/30/06/60/325300660.db2.gz FXBBXJXBYJHXEO-MRXNPFEDSA-N 1 0 362.861 2.387 20 30 FEEDRO C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)C(=O)Nc1cc(C#N)ccc1Cl)C2 ZINC000088779755 325301377 /nfs/dbraw/zinc/30/13/77/325301377.db2.gz WPJMGWUONSWSMG-AGUYFDCRSA-N 1 0 360.845 2.282 20 30 FEEDRO C[C@H](c1ccc(F)cc1)N(C)C(=O)C[N@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000089942674 325344088 /nfs/dbraw/zinc/34/40/88/325344088.db2.gz CTHJGJOICSDAJI-CYBMUJFWSA-N 1 0 372.448 2.087 20 30 FEEDRO Cc1ccccc1[C@@H](C)NC(=O)[C@H](C)[N@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000089943755 325344424 /nfs/dbraw/zinc/34/44/24/325344424.db2.gz HYRLHNBHBFHNLP-CABCVRRESA-N 1 0 368.485 2.302 20 30 FEEDRO CN(C1CC[NH+](Cc2ccccc2)CC1)S(=O)(=O)c1ccc(C#N)nc1 ZINC000113302837 325840722 /nfs/dbraw/zinc/84/07/22/325840722.db2.gz BFLLMJMEFMYQFE-UHFFFAOYSA-N 1 0 370.478 2.238 20 30 FEEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000116129026 325994466 /nfs/dbraw/zinc/99/44/66/325994466.db2.gz WRZZBZROLGEJIP-QGZVFWFLSA-N 1 0 360.502 2.279 20 30 FEEDRO C[NH+](C)CCN(Cc1ccco1)S(=O)(=O)c1ccc(C#N)cc1F ZINC000119366371 326153939 /nfs/dbraw/zinc/15/39/39/326153939.db2.gz YVXINCGNHVGXJD-UHFFFAOYSA-N 1 0 351.403 2.043 20 30 FEEDRO C[N@H+](CCCc1[nH]nc(N)c1C#N)[C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000121458303 326340275 /nfs/dbraw/zinc/34/02/75/326340275.db2.gz ZLVWQRYNASMBJH-INIZCTEOSA-N 1 0 372.860 2.187 20 30 FEEDRO CCC[C@@H]1CN([C@@H](C)C(=O)Nc2ccccc2C#N)CC[N@@H+]1CCOC ZINC000121636916 326353992 /nfs/dbraw/zinc/35/39/92/326353992.db2.gz AGZCYDMZUJYUIE-FUHWJXTLSA-N 1 0 358.486 2.318 20 30 FEEDRO CCC[C@H]1CN([C@@H](C)C(=O)Nc2cccc(C#N)c2)CC[N@@H+]1CCOC ZINC000121670325 326356794 /nfs/dbraw/zinc/35/67/94/326356794.db2.gz FSHDDDZMXDINPI-LPHOPBHVSA-N 1 0 358.486 2.318 20 30 FEEDRO N#Cc1cc(S(=O)(=O)NCCC[NH2+]Cc2cccnc2)ccc1Cl ZINC000122944351 326414877 /nfs/dbraw/zinc/41/48/77/326414877.db2.gz UDLYGKOHNSBZJP-UHFFFAOYSA-N 1 0 364.858 2.065 20 30 FEEDRO Cc1cc(C)nc(N2CC[NH+](CCC(=O)Nc3ccc(C#N)cc3)CC2)n1 ZINC000123250503 326425217 /nfs/dbraw/zinc/42/52/17/326425217.db2.gz ALPFPGJDPVIKET-UHFFFAOYSA-N 1 0 364.453 2.116 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@H]2COc3ccc(Cl)cc3C2)c1C#N ZINC000133387475 326607885 /nfs/dbraw/zinc/60/78/85/326607885.db2.gz KDECKFYSNJHGND-GFCCVEGCSA-N 1 0 373.844 2.277 20 30 FEEDRO CCN(c1ccc(C(=O)Nc2n[nH]c(CCC[NH2+]C)c2C#N)cn1)C(C)C ZINC000133405624 326608216 /nfs/dbraw/zinc/60/82/16/326608216.db2.gz KLXYVHRXHGRDCM-UHFFFAOYSA-N 1 0 369.473 2.315 20 30 FEEDRO CC[NH+](CC)[C@H](CNC(=O)C(=O)Nc1ccc(C#N)cc1F)c1ccco1 ZINC000136117292 326649985 /nfs/dbraw/zinc/64/99/85/326649985.db2.gz FGSZSQBQSNYBBQ-MRXNPFEDSA-N 1 0 372.400 2.428 20 30 FEEDRO CC(C)(C)[NH+]1CCC(NS(=O)(=O)Cc2cc(C#N)ccc2F)CC1 ZINC000160946581 326982722 /nfs/dbraw/zinc/98/27/22/326982722.db2.gz MAZMVGIBWVJRNH-UHFFFAOYSA-N 1 0 353.463 2.380 20 30 FEEDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NS(=O)(=O)c1ccc(F)cc1C#N ZINC000162340087 327022961 /nfs/dbraw/zinc/02/29/61/327022961.db2.gz ASBNRUURRZJCLL-KDOFPFPSSA-N 1 0 373.453 2.496 20 30 FEEDRO CC[N@@H+]1CCCN(C(=O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CC1 ZINC000163232177 327046831 /nfs/dbraw/zinc/04/68/31/327046831.db2.gz OPBKCSUABGNPKH-UHFFFAOYSA-N 1 0 368.359 2.070 20 30 FEEDRO C[NH+](C)CCN(Cc1ccco1)S(=O)(=O)Cc1cc(C#N)ccc1F ZINC000164398064 327069827 /nfs/dbraw/zinc/06/98/27/327069827.db2.gz OOZYWMCYSQWYSI-UHFFFAOYSA-N 1 0 365.430 2.184 20 30 FEEDRO N#Cc1cc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)ccc1C(F)(F)F ZINC000166367299 327081938 /nfs/dbraw/zinc/08/19/38/327081938.db2.gz PQPNDJRRJLWSGN-UHFFFAOYSA-N 1 0 366.387 2.321 20 30 FEEDRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)/C=C/c2ccccc2C#N)CC1 ZINC000170953412 327109939 /nfs/dbraw/zinc/10/99/39/327109939.db2.gz MJPXRRXBTINIMK-SQUSKLHYSA-N 1 0 352.482 2.200 20 30 FEEDRO Cc1cccc(CN(CC[NH+](C)C)S(=O)(=O)c2ccc(C#N)nc2)c1 ZINC000171430775 327139255 /nfs/dbraw/zinc/13/92/55/327139255.db2.gz AGGBCMHAQYCXPY-UHFFFAOYSA-N 1 0 358.467 2.014 20 30 FEEDRO CC[NH+]1CCC(CCNC(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)CC1 ZINC000174113290 327306957 /nfs/dbraw/zinc/30/69/57/327306957.db2.gz SZPKDPKAFJDDKM-UHFFFAOYSA-N 1 0 358.486 2.034 20 30 FEEDRO N#Cc1cccc(NC(=O)CN2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000174239285 327314937 /nfs/dbraw/zinc/31/49/37/327314937.db2.gz PATBHSCHXGPEQZ-UHFFFAOYSA-N 1 0 356.470 2.074 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2CCC([NH2+]CC3CC3)CC2)c(Cl)c1 ZINC000261810689 328821244 /nfs/dbraw/zinc/82/12/44/328821244.db2.gz GKWKTZLXHHMHIB-UHFFFAOYSA-N 1 0 353.875 2.364 20 30 FEEDRO CN1CC[N@H+](C)C[C@H]1CNc1c(C#N)cnc2ccc(OC(F)F)cc21 ZINC000264688878 329049079 /nfs/dbraw/zinc/04/90/79/329049079.db2.gz BSQYSTCDKVGQMP-CYBMUJFWSA-N 1 0 361.396 2.366 20 30 FEEDRO CC[N@H+](C)CCNC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000264950279 329077641 /nfs/dbraw/zinc/07/76/41/329077641.db2.gz XXSHBJFINJJNRP-UHFFFAOYSA-N 1 0 371.441 2.091 20 30 FEEDRO N#Cc1ccc(OCC(=O)N2CCC(OCC[NH+]3CCCC3)CC2)cc1 ZINC000266607320 329241180 /nfs/dbraw/zinc/24/11/80/329241180.db2.gz AAUHCHHXSRIGKR-UHFFFAOYSA-N 1 0 357.454 2.040 20 30 FEEDRO Cc1cc(C)c2ncc(C#N)c(N3CC[NH+](CCC(=O)N(C)C)CC3)c2c1 ZINC000268409497 329416364 /nfs/dbraw/zinc/41/63/64/329416364.db2.gz SJWYQXMWZFXUGY-UHFFFAOYSA-N 1 0 365.481 2.324 20 30 FEEDRO N#Cc1ccnc(N2CC[NH+](Cc3ccccc3N3CCOCC3)CC2)c1 ZINC000271053320 329657699 /nfs/dbraw/zinc/65/76/99/329657699.db2.gz XVXYUBRSMIZPET-UHFFFAOYSA-N 1 0 363.465 2.112 20 30 FEEDRO C[NH+]1CCN(c2ccnc(-c3noc(Cc4ccc(C#N)cc4)n3)c2)CC1 ZINC000273744795 329888302 /nfs/dbraw/zinc/88/83/02/329888302.db2.gz BLORSPOTLZLGPF-UHFFFAOYSA-N 1 0 360.421 2.346 20 30 FEEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+]C3CCC4(CC3)OCCO4)C2=O)cc1 ZINC000274206267 329926180 /nfs/dbraw/zinc/92/61/80/329926180.db2.gz MGBJCTDUMKBSPB-GOSISDBHSA-N 1 0 355.438 2.329 20 30 FEEDRO COc1ccc(C[NH2+]CC(=O)N[C@H]2CCOc3ccccc32)cc1C#N ZINC000367066710 330213146 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COCCO[C@H]1COCC[C@H]1[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC000555104464 674347673 /nfs/dbraw/zinc/34/76/73/674347673.db2.gz ZBATUAMVHOUANW-CVEARBPZSA-N 1 0 358.360 2.487 20 30 FEEDRO CN(CC(=O)NCC(F)(F)F)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC000328652313 522405561 /nfs/dbraw/zinc/40/55/61/522405561.db2.gz WILNPEQBJGNAAE-SWLSCSKDSA-N 1 0 361.412 2.254 20 30 FEEDRO C[N@H+](CC1CC1)C[C@@H]1CCN(S(=O)(=O)Cc2ccc(C#N)cc2F)C1 ZINC000555406662 674359612 /nfs/dbraw/zinc/35/96/12/674359612.db2.gz NKNKAOMVZUADKM-INIZCTEOSA-N 1 0 365.474 2.191 20 30 FEEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000155622196 545551230 /nfs/dbraw/zinc/55/12/30/545551230.db2.gz QEKARPHEKYAXIL-PKOBYXMFSA-N 1 0 357.502 2.289 20 30 FEEDRO C[C@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCC(Cn2ccnn2)CC1 ZINC000156091289 545598907 /nfs/dbraw/zinc/59/89/07/545598907.db2.gz DFOZBZJUQMNBLR-QGZVFWFLSA-N 1 0 366.469 2.325 20 30 FEEDRO COCC[N@H+](C)CCCC1CCN(S(=O)(=O)CC2(C#N)CCC2)CC1 ZINC000477482271 561145968 /nfs/dbraw/zinc/14/59/68/561145968.db2.gz RYUMHWBLEPKNSM-UHFFFAOYSA-N 1 0 371.547 2.080 20 30 FEEDRO O=S(=O)([C@@H]1CCN(CC#Cc2cccc(Cl)c2)C1)N1CCCC1 ZINC000157269033 545721193 /nfs/dbraw/zinc/72/11/93/545721193.db2.gz NQAGMQMHGCKHOJ-QGZVFWFLSA-N 1 0 352.887 2.191 20 30 FEEDRO Cc1cc(F)cc2c(O)c(C(=O)N(CCC#N)CCC[NH+](C)C)cnc12 ZINC000157634003 545762893 /nfs/dbraw/zinc/76/28/93/545762893.db2.gz JIAQSXGOVJHKDQ-UHFFFAOYSA-N 1 0 358.417 2.283 20 30 FEEDRO COc1cc(C#N)ccc1OCC[NH+]1CCC(c2ccnn2CCO)CC1 ZINC000157738790 545777773 /nfs/dbraw/zinc/77/77/73/545777773.db2.gz MMNFKFPBEGMLCC-UHFFFAOYSA-N 1 0 370.453 2.014 20 30 FEEDRO C[C@@H]1CCC[N@@H+]1C1CCN(S(=O)(=O)c2ccc(F)c(C#N)c2)CC1 ZINC000158565898 545871691 /nfs/dbraw/zinc/87/16/91/545871691.db2.gz XEAPVHKGRTTZQA-CYBMUJFWSA-N 1 0 351.447 2.335 20 30 FEEDRO C[NH+]=C(NCc1cnc(C)s1)N[C@H]1CCN(c2ccccc2OC)C1 ZINC000158674853 545882878 /nfs/dbraw/zinc/88/28/78/545882878.db2.gz BUXRYXACLFJJOQ-AWEZNQCLSA-N 1 0 359.499 2.404 20 30 FEEDRO C[NH+](C)Cc1ccc(CNS(=O)(=O)Cc2ccc(C#N)cc2F)cc1 ZINC000478133832 561160641 /nfs/dbraw/zinc/16/06/41/561160641.db2.gz MSPAAVHGUVBRDL-UHFFFAOYSA-N 1 0 361.442 2.379 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cnc(Cl)cc2C)CC1 ZINC000158855462 545901086 /nfs/dbraw/zinc/90/10/86/545901086.db2.gz JMAWXOUDJGNZIE-UHFFFAOYSA-N 1 0 350.850 2.139 20 30 FEEDRO C=CCN1C(=O)c2ccc(C(=O)NC[C@@H](C)[N@@H+]3CCCC[C@H]3C)cc2C1=O ZINC000478671306 561172353 /nfs/dbraw/zinc/17/23/53/561172353.db2.gz UMFFPFXLHYEHAM-HUUCEWRRSA-N 1 0 369.465 2.461 20 30 FEEDRO C=CCN(CCOC)C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000478755282 561174121 /nfs/dbraw/zinc/17/41/21/561174121.db2.gz NBVWCDADFJWFRE-UHFFFAOYSA-N 1 0 360.502 2.043 20 30 FEEDRO CC(C)[C@H]([NH2+]CC(=O)N(CCC#N)CCC#N)c1ccc2c(c1)OCCO2 ZINC000161473412 546131559 /nfs/dbraw/zinc/13/15/59/546131559.db2.gz ZPIJLTSZELKGHN-FQEVSTJZSA-N 1 0 370.453 2.400 20 30 FEEDRO CCc1ccccc1N1C[C@H](C(=O)N(CCC#N)CCC[NH+](C)C)CC1=O ZINC000170814138 546178233 /nfs/dbraw/zinc/17/82/33/546178233.db2.gz PHFDZSYOHGJQJY-GOSISDBHSA-N 1 0 370.497 2.296 20 30 FEEDRO COc1cc(CCNC(=[NH2+])NC2CCCCC2)c([N+](=O)[O-])cc1OC ZINC000170909054 546182034 /nfs/dbraw/zinc/18/20/34/546182034.db2.gz OOJLAHUWOQXADE-UHFFFAOYSA-N 1 0 350.419 2.392 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)NC2CCN(CC(F)(F)F)CC2)CC1 ZINC000171557570 546214029 /nfs/dbraw/zinc/21/40/29/546214029.db2.gz OEAMFDISUKRCGT-UHFFFAOYSA-N 1 0 362.440 2.353 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)CNC(=O)Cc2cccc3ccccc32)CC1 ZINC000171566181 546214760 /nfs/dbraw/zinc/21/47/60/546214760.db2.gz VUGRLYCAUXRPEX-UHFFFAOYSA-N 1 0 365.477 2.265 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)NCc2ccc(-n3ccnc3C)nc2)CC1 ZINC000171720538 546222135 /nfs/dbraw/zinc/22/21/35/546222135.db2.gz YYYITCTVOHVTEC-UHFFFAOYSA-N 1 0 354.458 2.025 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H](CO)Cc2c[nH]c3ccccc23)CC1 ZINC000171740629 546223692 /nfs/dbraw/zinc/22/36/92/546223692.db2.gz OAEVKWQAMMVWLU-QGZVFWFLSA-N 1 0 356.470 2.021 20 30 FEEDRO N#CCCSc1ccccc1NC(=O)C(=O)NCCC[NH+]1CCCC1 ZINC000171772879 546226029 /nfs/dbraw/zinc/22/60/29/546226029.db2.gz FKQSVNSBDMDPTH-UHFFFAOYSA-N 1 0 360.483 2.233 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@H](C)n2nnc(-c3ccccc3)n2)CC1 ZINC000173102378 546273203 /nfs/dbraw/zinc/27/32/03/546273203.db2.gz SJSJBIWLGFIZTE-HNNXBMFYSA-N 1 0 354.458 2.058 20 30 FEEDRO CCOc1ccc(C#N)cc1NC(=O)NCCCC[N@@H+]1CCC[C@@H]1CO ZINC000175619764 546321977 /nfs/dbraw/zinc/32/19/77/546321977.db2.gz DMQTWCAELOGLFN-MRXNPFEDSA-N 1 0 360.458 2.315 20 30 FEEDRO C=CC[C@@H](CO)C[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480171606 561204020 /nfs/dbraw/zinc/20/40/20/561204020.db2.gz PUOACANYAZKXNI-RISCZKNCSA-N 1 0 374.300 2.442 20 30 FEEDRO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccc(F)cc1C#N)c1ccc(F)cc1 ZINC000175966766 546381844 /nfs/dbraw/zinc/38/18/44/546381844.db2.gz MGMQFMGTBQTJJD-QGZVFWFLSA-N 1 0 372.375 2.194 20 30 FEEDRO COC(=O)[C@H](NC1CC[NH+](Cc2ccncc2)CC1)c1cccc(C#N)c1 ZINC000176720530 546480164 /nfs/dbraw/zinc/48/01/64/546480164.db2.gz QPGHKGAHWLXOFR-HXUWFJFHSA-N 1 0 364.449 2.422 20 30 FEEDRO COc1cc(/C=C/C(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)ccc1OCC#N ZINC000177056154 546533517 /nfs/dbraw/zinc/53/35/17/546533517.db2.gz PBCHDOUFBMYINL-XSXXPSGLSA-N 1 0 355.438 2.352 20 30 FEEDRO N#Cc1ccc(CS(=O)(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)c(F)c1 ZINC000481029142 561223356 /nfs/dbraw/zinc/22/33/56/561223356.db2.gz ZLLNVPPEGFZOOU-QGZVFWFLSA-N 1 0 365.474 2.477 20 30 FEEDRO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000178103892 546739452 /nfs/dbraw/zinc/73/94/52/546739452.db2.gz KIQGFOBQWLPKEX-YLJYHZDGSA-N 1 0 371.481 2.142 20 30 FEEDRO C=CCc1ccccc1OC[C@@H](O)C[NH+]1CCC([C@H](C)NC(C)=O)CC1 ZINC000481150135 561226452 /nfs/dbraw/zinc/22/64/52/561226452.db2.gz XJMVLACLVFUQMB-JXFKEZNVSA-N 1 0 360.498 2.391 20 30 FEEDRO Cc1c(C#N)cccc1NC(=O)C(=O)NC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000178473960 546799432 /nfs/dbraw/zinc/79/94/32/546799432.db2.gz PLEGLVJFZPEQGK-OAHLLOKOSA-N 1 0 364.449 2.442 20 30 FEEDRO C[C@@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)c1ccc2c(c1)OCO2 ZINC000179118093 546901459 /nfs/dbraw/zinc/90/14/59/546901459.db2.gz ZPAGGPNWJYUUNF-CYBMUJFWSA-N 1 0 358.419 2.411 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)c2cccc(OCc3noc(C)n3)c2)CC1 ZINC000179344447 546936094 /nfs/dbraw/zinc/93/60/94/546936094.db2.gz HGGWIRZJNDEYAG-UHFFFAOYSA-N 1 0 356.426 2.337 20 30 FEEDRO C[C@H](Oc1ccccc1C#N)C(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000482005650 561247120 /nfs/dbraw/zinc/24/71/20/561247120.db2.gz KXPJCADCGWNVDY-INIZCTEOSA-N 1 0 359.470 2.285 20 30 FEEDRO CCS(=O)(=O)C[C@H](C)N(C)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000180158014 547059552 /nfs/dbraw/zinc/05/95/52/547059552.db2.gz IRERANDFKZCBMY-AWEZNQCLSA-N 1 0 360.483 2.214 20 30 FEEDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2S(=O)(=O)c2ccc(C#N)cc2Cl)C1 ZINC000180174461 547063107 /nfs/dbraw/zinc/06/31/07/547063107.db2.gz IYIBUQSGIWFPQX-HIFRSBDPSA-N 1 0 353.875 2.316 20 30 FEEDRO C[C@H](NC(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1)c1ccc(C#N)cc1 ZINC000482842243 561261129 /nfs/dbraw/zinc/26/11/29/561261129.db2.gz PQVXHPNNLMGEJA-ABSDTBQOSA-N 1 0 369.513 2.287 20 30 FEEDRO N#Cc1ccc(NC(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000180722605 547167321 /nfs/dbraw/zinc/16/73/21/547167321.db2.gz QSSVIJSGVZZKRL-LJQANCHMSA-N 1 0 350.422 2.447 20 30 FEEDRO CCCNC(=O)CN1CCC([NH2+][C@H](C)c2ccc(OCC#N)cc2)CC1 ZINC000181486607 547322599 /nfs/dbraw/zinc/32/25/99/547322599.db2.gz GTEHBOBGPSGOIK-MRXNPFEDSA-N 1 0 358.486 2.230 20 30 FEEDRO CC[N@H+](CCNC(=O)Nc1ccc(S(=O)(=O)[C@@H](C)C#N)cc1)C(C)C ZINC000483444213 561277166 /nfs/dbraw/zinc/27/71/66/561277166.db2.gz IXWCQPXBCVSFCQ-AWEZNQCLSA-N 1 0 366.487 2.224 20 30 FEEDRO C=CCCO[C@@H](C)C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000483497623 561278391 /nfs/dbraw/zinc/27/83/91/561278391.db2.gz UVIHFRQYXJOCDZ-RDJZCZTQSA-N 1 0 359.470 2.304 20 30 FEEDRO CC[NH+](CC)C[C@H](C)NC(=O)Nc1ccc(S(=O)(=O)[C@H](C)C#N)cc1 ZINC000483576322 561279973 /nfs/dbraw/zinc/27/99/73/561279973.db2.gz PZRNULVTZPMPMR-UONOGXRCSA-N 1 0 366.487 2.224 20 30 FEEDRO COc1ccc([C@H](CCO)[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)cc1 ZINC000182386831 547483302 /nfs/dbraw/zinc/48/33/02/547483302.db2.gz PTFLXHVYDUKPIE-IBGZPJMESA-N 1 0 374.462 2.054 20 30 FEEDRO COCC[N@H+]1[C@H](C)CN([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@@H]1C ZINC000182926895 547574376 /nfs/dbraw/zinc/57/43/76/547574376.db2.gz KVGAVWGWEKJYCG-FUHIMQAGSA-N 1 0 370.497 2.095 20 30 FEEDRO CCOC(=O)[C@]1(Cc2ccccc2)CCC[N@@H+]1CCC(=O)N(C)CCC#N ZINC000484309261 561296077 /nfs/dbraw/zinc/29/60/77/561296077.db2.gz NZPSAWBBEHPQGL-OAQYLSRUSA-N 1 0 371.481 2.389 20 30 FEEDRO CC[C@H]1CN(CC(=O)N[C@@](C)(C#N)C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000183753546 547713953 /nfs/dbraw/zinc/71/39/53/547713953.db2.gz FLPLFARFYPXSNO-FPOVZHCZSA-N 1 0 354.498 2.391 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@@H]1CCOC[C@H]1OCC ZINC000484637706 561301847 /nfs/dbraw/zinc/30/18/47/561301847.db2.gz HLCMEAYGDVXETF-USXIJHARSA-N 1 0 352.500 2.435 20 30 FEEDRO C=CCOc1c(Br)cc(C[NH2+][C@@]2(CO)CCOC2)cc1OC ZINC000184193002 547784926 /nfs/dbraw/zinc/78/49/26/547784926.db2.gz COQMNVGDZQTOET-MRXNPFEDSA-N 1 0 372.259 2.264 20 30 FEEDRO CCOc1ccc(C#N)cc1NC(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1 ZINC000184220257 547790291 /nfs/dbraw/zinc/79/02/91/547790291.db2.gz HAGKPDBIBWNVKZ-HNNXBMFYSA-N 1 0 359.474 2.104 20 30 FEEDRO C[N@H+](CCNC(=O)Nc1cnn(-c2ncccc2C#N)c1)C1CCCC1 ZINC000184611318 547854269 /nfs/dbraw/zinc/85/42/69/547854269.db2.gz IOOJDKFAHZKWTQ-UHFFFAOYSA-N 1 0 353.430 2.135 20 30 FEEDRO N#Cc1ccc(Cl)c(S(=O)(=O)N2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000184893986 547894744 /nfs/dbraw/zinc/89/47/44/547894744.db2.gz RBVOEGMCSUXFOJ-CQSZACIVSA-N 1 0 353.875 2.318 20 30 FEEDRO CCCC[C@H]([NH2+]CC(=O)N1CCN(c2oc(C)nc2C#N)CC1)C1CCC1 ZINC000184908083 547896659 /nfs/dbraw/zinc/89/66/59/547896659.db2.gz HSADJSLZTHRZKJ-KRWDZBQOSA-N 1 0 373.501 2.452 20 30 FEEDRO CCOC(=O)CC[N@@H+](Cc1cccnc1)C[C@@H](O)c1ccc(C#N)cc1 ZINC000185243238 547958643 /nfs/dbraw/zinc/95/86/43/547958643.db2.gz OAMIBTZBNRWWKN-LJQANCHMSA-N 1 0 353.422 2.442 20 30 FEEDRO C#CCC(C)(C)C(=O)N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000185353590 547974128 /nfs/dbraw/zinc/97/41/28/547974128.db2.gz WCOJPNWYELHPRF-LJQANCHMSA-N 1 0 368.525 2.492 20 30 FEEDRO CCOC(=O)N1CC[C@@H]([NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000185769803 548033474 /nfs/dbraw/zinc/03/34/74/548033474.db2.gz AUPAXZNTPQYZAF-QGZVFWFLSA-N 1 0 353.426 2.279 20 30 FEEDRO C=CCc1cc(C[NH2+][C@H]2CCOC[C@H]2OCCOC)cc(OC)c1O ZINC000485724320 561326697 /nfs/dbraw/zinc/32/66/97/561326697.db2.gz JPLLNVOAWKBBBX-FUHWJXTLSA-N 1 0 351.443 2.039 20 30 FEEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000485781952 561327902 /nfs/dbraw/zinc/32/79/02/561327902.db2.gz ZTIXMIGVJDZVBB-AWEZNQCLSA-N 1 0 355.398 2.223 20 30 FEEDRO CN(C(=O)C[N@@H+]1CCSC2(CCOCC2)C1)C1(C#N)CCCCC1 ZINC000186827177 548201675 /nfs/dbraw/zinc/20/16/75/548201675.db2.gz AOSRHZSHVUSLJQ-UHFFFAOYSA-N 1 0 351.516 2.269 20 30 FEEDRO C=C[C@](C)(CCOC)C(=O)NCCN1CCN(c2ccc(F)cc2)CC1 ZINC000187114380 548250215 /nfs/dbraw/zinc/25/02/15/548250215.db2.gz RKFRDHOXNGJTDB-HXUWFJFHSA-N 1 0 363.477 2.293 20 30 FEEDRO C=C[C@](C)(CCOC)C(=O)Nc1cccc(CN2CCC[C@@H]2C(N)=O)c1 ZINC000188349620 548278143 /nfs/dbraw/zinc/27/81/43/548278143.db2.gz BGPSUGLJZBXHSL-YLJYHZDGSA-N 1 0 359.470 2.304 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N[C@H]2CCN(Cc3ccc(C)cc3)C2=O)CC1 ZINC000188691539 548285495 /nfs/dbraw/zinc/28/54/95/548285495.db2.gz DTYYDUFDESWEDW-IBGZPJMESA-N 1 0 370.497 2.046 20 30 FEEDRO CCN(C[C@@H](C)C#N)C(=O)C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000189113935 548295685 /nfs/dbraw/zinc/29/56/85/548295685.db2.gz ADPINGSFZHVLTE-HNNXBMFYSA-N 1 0 374.510 2.182 20 30 FEEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+](C)CC2(O)CCOCC2)c1 ZINC000189780626 548310634 /nfs/dbraw/zinc/31/06/34/548310634.db2.gz RJNZEESCVBCODM-SFHVURJKSA-N 1 0 373.497 2.412 20 30 FEEDRO CN1C(=O)C[C@H]([NH2+]CC(=O)N[C@](C)(C#N)C2CC2)[C@H]1c1ccc(Cl)cc1 ZINC000192150712 548360483 /nfs/dbraw/zinc/36/04/83/548360483.db2.gz FXATZRSYAXLBDV-KFKAGJAMSA-N 1 0 374.872 2.010 20 30 FEEDRO C=CCSCCNC(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000194566299 548499256 /nfs/dbraw/zinc/49/92/56/548499256.db2.gz BDHIEBXVSOGZHZ-UHFFFAOYSA-N 1 0 362.543 2.417 20 30 FEEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000194917239 548550576 /nfs/dbraw/zinc/55/05/76/548550576.db2.gz ZLUQBQFEKUYRJW-SOUVJXGZSA-N 1 0 372.494 2.039 20 30 FEEDRO CCCCCCCS(=O)(=O)N1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000195442684 548641003 /nfs/dbraw/zinc/64/10/03/548641003.db2.gz KABJENDYCLPALZ-GOSISDBHSA-N 1 0 359.580 2.389 20 30 FEEDRO CC[C@@H]1Oc2cc([C@@H](C)[NH2+]CC(=O)N[C@](C)(C#N)C3CC3)ccc2NC1=O ZINC000245889660 549011369 /nfs/dbraw/zinc/01/13/69/549011369.db2.gz POAMTQIIUARFOX-ADYAMRHXSA-N 1 0 370.453 2.255 20 30 FEEDRO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCC[C@@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000246187432 549072146 /nfs/dbraw/zinc/07/21/46/549072146.db2.gz RXWLUPFGIWZQGB-NVXWUHKLSA-N 1 0 366.469 2.412 20 30 FEEDRO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2nc3cc(C)ccc3[nH]2)C1 ZINC000246194174 549073987 /nfs/dbraw/zinc/07/39/87/549073987.db2.gz XFWKSRICRVGSSJ-CABCVRRESA-N 1 0 369.469 2.451 20 30 FEEDRO C[C@H](C[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F)[N@@H+]1CCC[C@@H](C)C1 ZINC000246464209 549139060 /nfs/dbraw/zinc/13/90/60/549139060.db2.gz GDYLMQWRBGPVNB-VXGBXAGGSA-N 1 0 357.426 2.235 20 30 FEEDRO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC000246745352 549202953 /nfs/dbraw/zinc/20/29/53/549202953.db2.gz BDHXIWGAQHZQPS-OXQOHEQNSA-N 1 0 357.454 2.443 20 30 FEEDRO C=CCNC(=O)C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000248398011 549428431 /nfs/dbraw/zinc/42/84/31/549428431.db2.gz MLTMDDVBNSUBFV-OAGGEKHMSA-N 1 0 351.491 2.446 20 30 FEEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CN2CC[C@@H](C)[C@H]2CO)c1C#N ZINC000248904790 549525096 /nfs/dbraw/zinc/52/50/96/549525096.db2.gz HUULKQCNAWLDDT-FZKQIMNGSA-N 1 0 370.453 2.259 20 30 FEEDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000249144663 549560508 /nfs/dbraw/zinc/56/05/08/549560508.db2.gz GELVSELWBOTGLW-NEPJUHHUSA-N 1 0 357.426 2.235 20 30 FEEDRO C[NH+](C)[C@H]1CCN(c2ccc(NC(=O)c3cccc(F)c3C#N)nc2)C1 ZINC000489744804 561418230 /nfs/dbraw/zinc/41/82/30/561418230.db2.gz XMJRXAZSNZBRCT-AWEZNQCLSA-N 1 0 353.401 2.485 20 30 FEEDRO Cc1c(NC(=O)N(CCC#N)CCC[NH+](C)C)cccc1N1CCNC1=O ZINC000489876878 561421169 /nfs/dbraw/zinc/42/11/69/561421169.db2.gz RSZCDOKOIIAPIO-UHFFFAOYSA-N 1 0 372.473 2.224 20 30 FEEDRO CC[NH+]=C(NC[C@](C)(O)c1cccs1)N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000261639913 549737928 /nfs/dbraw/zinc/73/79/28/549737928.db2.gz DHACEHLPFOHVGF-AZAGILFBSA-N 1 0 351.516 2.324 20 30 FEEDRO C[NH+]=C(NCc1c[nH]nc1C)N(C)Cc1cc(Br)cn1C ZINC000261821017 549758945 /nfs/dbraw/zinc/75/89/45/549758945.db2.gz UNTXYANAAZDRQZ-UHFFFAOYSA-N 1 0 353.268 2.027 20 30 FEEDRO C=CCN(C(=O)CC[C@@H]1CC[NH2+]C1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000261906467 549768616 /nfs/dbraw/zinc/76/86/16/549768616.db2.gz VUXIEQMPYDESFP-JKSUJKDBSA-N 1 0 354.458 2.128 20 30 FEEDRO C[NH+]=C(NCc1nc(C(F)(F)F)cs1)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000261955258 549773735 /nfs/dbraw/zinc/77/37/35/549773735.db2.gz IOXVSBHKDVLEMJ-GXSJLCMTSA-N 1 0 361.437 2.310 20 30 FEEDRO CCC(=O)N1CC[C@H](NC(NCc2coc(-c3cccs3)n2)=[NH+]C)C1 ZINC000261963781 549774591 /nfs/dbraw/zinc/77/45/91/549774591.db2.gz KYEZODLKPFMSFU-LBPRGKRZSA-N 1 0 361.471 2.079 20 30 FEEDRO CCC(=O)N1CC[C@H](NC(NCc2cc(-c3ccccc3)no2)=[NH+]C)C1 ZINC000261970584 549775374 /nfs/dbraw/zinc/77/53/74/549775374.db2.gz MOPOPIPCVHZHQZ-HNNXBMFYSA-N 1 0 355.442 2.018 20 30 FEEDRO C=CCN(C(=O)[C@H]1CC12CC[NH2+]CC2)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000261980942 549776104 /nfs/dbraw/zinc/77/61/04/549776104.db2.gz WIMXLFNERYPWHD-MAUKXSAKSA-N 1 0 366.469 2.128 20 30 FEEDRO C=CCNC(NCc1nnc(C)n1C)=[NH+][C@H]1CCOC2(CCCCC2)C1 ZINC000261980644 549776129 /nfs/dbraw/zinc/77/61/29/549776129.db2.gz OUJCSNRQYSNQBZ-INIZCTEOSA-N 1 0 360.506 2.227 20 30 FEEDRO Cc1nnc(CNC(N[C@H](C)c2ccccc2)=[NH+]C2CCOCC2)n1C ZINC000261992253 549777937 /nfs/dbraw/zinc/77/79/37/549777937.db2.gz ROAYAHYLTMQESG-CQSZACIVSA-N 1 0 356.474 2.099 20 30 FEEDRO C[NH+]=C(NCc1nncn1-c1ccccc1)N[C@@H]1CCc2ccccc2C1 ZINC000262186350 549797410 /nfs/dbraw/zinc/79/74/10/549797410.db2.gz GDZTVDLUNWNTLW-GOSISDBHSA-N 1 0 360.465 2.490 20 30 FEEDRO C[C@@H]1CCCC[C@H]1[NH+]=C(NCc1ccco1)NC[C@@H]1CCS(=O)(=O)C1 ZINC000262334328 549811651 /nfs/dbraw/zinc/81/16/51/549811651.db2.gz BMLKCDJUMXLZKE-HLLBOEOZSA-N 1 0 367.515 2.328 20 30 FEEDRO CC[NH+]=C(NC[C@H]1CCc2nnc(C)n2C1)N[C@H]1CCc2ccccc2C1 ZINC000262511364 549825058 /nfs/dbraw/zinc/82/50/58/549825058.db2.gz OZQFGXNXJWIUCW-APWZRJJASA-N 1 0 366.513 2.262 20 30 FEEDRO [NH2+]=C(NCCNC(=O)c1ccc(Cl)cc1)N[C@@H]1CCOc2ccccc21 ZINC000262572946 549829225 /nfs/dbraw/zinc/82/92/25/549829225.db2.gz ZLCXQANUNJPIAV-MRXNPFEDSA-N 1 0 372.856 2.498 20 30 FEEDRO C[NH+]=C(NCc1cnc(N(C)C)n1C)N[C@H](C)c1ccc(F)cc1F ZINC000262750440 549845964 /nfs/dbraw/zinc/84/59/64/549845964.db2.gz BPOJIQHMCMKBHR-LLVKDONJSA-N 1 0 350.417 2.191 20 30 FEEDRO C[NH+]=C(NCc1coc(-c2ccccc2)n1)N[C@H]1CCCn2nc(C)nc21 ZINC000262785255 549849944 /nfs/dbraw/zinc/84/99/44/549849944.db2.gz MGNIXLMLPCSPHU-INIZCTEOSA-N 1 0 365.441 2.442 20 30 FEEDRO C[NH+]=C(NCC[S@@](=O)Cc1ccccc1)N1CCC2(C1)CCOCC2 ZINC000262786373 549849972 /nfs/dbraw/zinc/84/99/72/549849972.db2.gz MPRLICYRULKLJB-RUZDIDTESA-N 1 0 363.527 2.013 20 30 FEEDRO C[NH+]=C(NCc1ccc(CS(C)(=O)=O)cc1)N1CCc2ccccc21 ZINC000263077217 549875789 /nfs/dbraw/zinc/87/57/89/549875789.db2.gz CPYKXVXFLWYOIN-UHFFFAOYSA-N 1 0 357.479 2.369 20 30 FEEDRO COc1ccc(CCNC(=[NH2+])NC[C@H](c2ccco2)N(C)C)cc1OC ZINC000264090303 549978103 /nfs/dbraw/zinc/97/81/03/549978103.db2.gz KVHPRXRPQWDXTJ-OAHLLOKOSA-N 1 0 360.458 2.047 20 30 FEEDRO N#CCCN(C(=O)CCC(=O)N1CC[NH+](CC2CC2)CC1)c1ccccc1 ZINC000264185794 549989336 /nfs/dbraw/zinc/98/93/36/549989336.db2.gz PDTPOAWWNFGPSO-UHFFFAOYSA-N 1 0 368.481 2.268 20 30 FEEDRO COc1ccc(CCNC(=[NH2+])NCCCCNc2ccccn2)cc1OC ZINC000264268254 549993992 /nfs/dbraw/zinc/99/39/92/549993992.db2.gz LBVHUANUSGGART-UHFFFAOYSA-N 1 0 371.485 2.438 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cccc(S(C)(=O)=O)c2)CC1 ZINC000264384618 549995033 /nfs/dbraw/zinc/99/50/33/549995033.db2.gz MAKGSFMTRHKNQB-UHFFFAOYSA-N 1 0 351.472 2.252 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H](C)c2ccc3c(c2)CC(=O)N3C)CC1 ZINC000264370870 549995088 /nfs/dbraw/zinc/99/50/88/549995088.db2.gz QXQPEFOIMPBQEP-AWEZNQCLSA-N 1 0 356.470 2.216 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000264528084 549997337 /nfs/dbraw/zinc/99/73/37/549997337.db2.gz ZAUMEQOBOWXGJG-UHFFFAOYSA-N 1 0 361.398 2.136 20 30 FEEDRO C[C@H](NC(=O)NCC(C)(C)C#N)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000491049888 561442256 /nfs/dbraw/zinc/44/22/56/561442256.db2.gz GVOSVMOYWAXQPR-AWEZNQCLSA-N 1 0 361.465 2.487 20 30 FEEDRO N#CCOc1ccc(/C=C/C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)cc1 ZINC000265478579 550010202 /nfs/dbraw/zinc/01/02/02/550010202.db2.gz CBJMZJRUYUVLTP-PXPSOEEZSA-N 1 0 369.465 2.219 20 30 FEEDRO COCCOC[C@H]1CC[N@@H+]([C@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000266622399 550021895 /nfs/dbraw/zinc/02/18/95/550021895.db2.gz LNXQVVOYTNERDN-MSOLQXFVSA-N 1 0 359.470 2.307 20 30 FEEDRO COCCOC[C@@H]1CC[N@@H+]([C@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000266622400 550021993 /nfs/dbraw/zinc/02/19/93/550021993.db2.gz LNXQVVOYTNERDN-QZTJIDSGSA-N 1 0 359.470 2.307 20 30 FEEDRO C=CCc1ccc(OC[C@@H](O)CN2CC[C@H](C[N@@H+](C)CC)C2)c(OC)c1 ZINC000266642810 550022548 /nfs/dbraw/zinc/02/25/48/550022548.db2.gz UZHGNWOWFILPEC-MOPGFXCFSA-N 1 0 362.514 2.437 20 30 FEEDRO COc1ccc(NC(C)=O)cc1NC(=O)N(CCC#N)CCC[NH+](C)C ZINC000267382441 550030440 /nfs/dbraw/zinc/03/04/40/550030440.db2.gz KVVOMIAXBXPZAE-UHFFFAOYSA-N 1 0 361.446 2.353 20 30 FEEDRO COc1ccc(NC(=[NH2+])NCCc2cccc(C(=O)N(C)C)c2)cc1OC ZINC000267419048 550030865 /nfs/dbraw/zinc/03/08/65/550030865.db2.gz JXQVDYPPJNPVAP-UHFFFAOYSA-N 1 0 370.453 2.375 20 30 FEEDRO CCOC(=O)N1CCC(NC(=[NH2+])NC[C@H](C)Oc2ccccc2F)CC1 ZINC000267447477 550031620 /nfs/dbraw/zinc/03/16/20/550031620.db2.gz QIZYCNYOUXRMNO-ZDUSSCGKSA-N 1 0 366.437 2.118 20 30 FEEDRO COC(=O)NCc1ccc(NC(=O)N(CCC#N)CCC[NH+](C)C)cc1 ZINC000267908637 550035300 /nfs/dbraw/zinc/03/53/00/550035300.db2.gz CHQXOVKKXDLZRW-UHFFFAOYSA-N 1 0 361.446 2.242 20 30 FEEDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)Nc1ccccc1SCCC#N ZINC000268235066 550037707 /nfs/dbraw/zinc/03/77/07/550037707.db2.gz ZGCYQTURXJMCPL-CZUORRHYSA-N 1 0 372.494 2.230 20 30 FEEDRO N#CC1(C(=O)Nc2cccc(C[NH+]3CCC(CO)CC3)c2)CCOCC1 ZINC000268680935 550103161 /nfs/dbraw/zinc/10/31/61/550103161.db2.gz OFZPZEVMAKGRJK-UHFFFAOYSA-N 1 0 357.454 2.150 20 30 FEEDRO COc1cc(OC)c(OC)cc1NC(=O)N(CCC#N)CCC[NH+](C)C ZINC000268848611 550122540 /nfs/dbraw/zinc/12/25/40/550122540.db2.gz BEVXDSOAVBPVAL-UHFFFAOYSA-N 1 0 364.446 2.412 20 30 FEEDRO N#Cc1ccc(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)CC2)nc1 ZINC000269653550 550214202 /nfs/dbraw/zinc/21/42/02/550214202.db2.gz ITLSKFBOPCTTJF-SFHVURJKSA-N 1 0 353.470 2.009 20 30 FEEDRO N#Cc1cccc(C2(NC(=O)NC3CC[NH+]([C@@H]4CCC[C@H]4O)CC3)CC2)c1 ZINC000269730484 550220866 /nfs/dbraw/zinc/22/08/66/550220866.db2.gz UXSCRINBKHGRCC-RTBURBONSA-N 1 0 368.481 2.224 20 30 FEEDRO N#Cc1cccc(C2(NC(=O)NC3CC[NH+]([C@@H]4CCC[C@@H]4O)CC3)CC2)c1 ZINC000269730476 550220870 /nfs/dbraw/zinc/22/08/70/550220870.db2.gz UXSCRINBKHGRCC-MOPGFXCFSA-N 1 0 368.481 2.224 20 30 FEEDRO C=CCNC(=O)[C@H](C)[NH2+][C@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000270001820 550242476 /nfs/dbraw/zinc/24/24/76/550242476.db2.gz YHQWQCIOFIONKF-FSBGKCOPSA-N 1 0 353.825 2.031 20 30 FEEDRO N#CC1(NC(=O)c2ccc(C[NH+]3CCC(CO)CC3)cc2)CCSCC1 ZINC000270740652 550302546 /nfs/dbraw/zinc/30/25/46/550302546.db2.gz ADBZIADXBDYBCO-UHFFFAOYSA-N 1 0 373.522 2.410 20 30 FEEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC000271052781 550335891 /nfs/dbraw/zinc/33/58/91/550335891.db2.gz TYLFIWSYDZHGKU-HNNXBMFYSA-N 1 0 358.486 2.397 20 30 FEEDRO C=CC[C@@H](C)[C@H](C)[NH2+]Cc1ccc(CS(=O)(=O)CC(=O)OC)cc1 ZINC000271530223 550382550 /nfs/dbraw/zinc/38/25/50/550382550.db2.gz RXYLZRWZBOIGBF-CABCVRRESA-N 1 0 353.484 2.465 20 30 FEEDRO COc1ccc(NC(=O)NC(=O)C[NH2+]C2(c3cccc(C#N)c3)CC2)cc1 ZINC000271776912 550401002 /nfs/dbraw/zinc/40/10/02/550401002.db2.gz KVOZEBSJILRONL-UHFFFAOYSA-N 1 0 364.405 2.494 20 30 FEEDRO C[C@H]([NH2+]C[C@@H](O)COc1ccc(C#N)cc1)c1ccc([S@](C)=O)cc1 ZINC000271824766 550404544 /nfs/dbraw/zinc/40/45/44/550404544.db2.gz PRRPXGGHYAFCCY-AXUAAXHCSA-N 1 0 358.463 2.386 20 30 FEEDRO C#CCC[NH+]1CCN(C[C@@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000271997959 550415128 /nfs/dbraw/zinc/41/51/28/550415128.db2.gz GNXJFBSBLYWPCK-OAHLLOKOSA-N 1 0 357.281 2.374 20 30 FEEDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000272173400 550426801 /nfs/dbraw/zinc/42/68/01/550426801.db2.gz JZYXPWWVNCGKFO-LBPRGKRZSA-N 1 0 362.861 2.339 20 30 FEEDRO COc1ccc(C[N@H+](CCC(=O)N(C)CCC#N)[C@H](CO)C(C)C)cc1 ZINC000272304008 550436432 /nfs/dbraw/zinc/43/64/32/550436432.db2.gz QIELVWKDBLCOHT-LJQANCHMSA-N 1 0 361.486 2.276 20 30 FEEDRO COc1cc(C#N)ccc1OCCCC(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000272567942 550458103 /nfs/dbraw/zinc/45/81/03/550458103.db2.gz VAHVYWVYYAPCCB-IAGOWNOFSA-N 1 0 357.454 2.278 20 30 FEEDRO C=CCS(=O)(=O)CCN[C@H](C)c1nnn(-c2cccc(Cl)c2)c1C ZINC000272903600 550476271 /nfs/dbraw/zinc/47/62/71/550476271.db2.gz VMFMGPALAWFPFE-GFCCVEGCSA-N 1 0 368.890 2.481 20 30 FEEDRO C[C@H](NC(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1)C1=CC[N@H+](C)CC1 ZINC000272958259 550478323 /nfs/dbraw/zinc/47/83/23/550478323.db2.gz NGWHLHRQGUPDSU-PXNSSMCTSA-N 1 0 367.497 2.056 20 30 FEEDRO COc1ccccc1CNC(=[NH2+])NC[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000273358950 550495453 /nfs/dbraw/zinc/49/54/53/550495453.db2.gz SENQHYZMJJNEOJ-CQSZACIVSA-N 1 0 362.474 2.357 20 30 FEEDRO C[NH+]1CCN(c2ccnc(-c3noc(-c4cc(C#N)cs4)n3)c2)CC1 ZINC000273781022 550511326 /nfs/dbraw/zinc/51/13/26/550511326.db2.gz GNJJQKADJUACAV-UHFFFAOYSA-N 1 0 352.423 2.484 20 30 FEEDRO CCCN(CC(=O)Nc1ccccc1OC)[C@@H](C)C(=O)N(C)CCC#N ZINC000274074143 550522046 /nfs/dbraw/zinc/52/20/46/550522046.db2.gz KNPMMPWHWZEUTP-HNNXBMFYSA-N 1 0 360.458 2.106 20 30 FEEDRO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCC(c2nnc3n2CCCC3)CC1 ZINC000274953001 550567123 /nfs/dbraw/zinc/56/71/23/550567123.db2.gz HJGNLUSDRXVNBB-INIZCTEOSA-N 1 0 357.502 2.383 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)[C@H](O)Cc1cccc(C(F)(F)F)c1 ZINC000275158727 550570966 /nfs/dbraw/zinc/57/09/66/550570966.db2.gz RABLTDXHSNPDNB-MRXNPFEDSA-N 1 0 371.403 2.303 20 30 FEEDRO C[C@@H](C#N)CN(C)C(=O)C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000275622196 550573218 /nfs/dbraw/zinc/57/32/18/550573218.db2.gz AUJXQSPVHMCVIQ-INIZCTEOSA-N 1 0 372.469 2.108 20 30 FEEDRO C=CCCN(C)C(=O)C(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1 ZINC000276335186 550578147 /nfs/dbraw/zinc/57/81/47/550578147.db2.gz BQTXQZOFKXWULE-UHFFFAOYSA-N 1 0 372.513 2.438 20 30 FEEDRO C=C(C)CN1CCC(Nc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)CC1 ZINC000276361688 550578221 /nfs/dbraw/zinc/57/82/21/550578221.db2.gz VYVSHLBKLMHEGX-UHFFFAOYSA-N 1 0 353.444 2.451 20 30 FEEDRO C=CCCN(C)C(=O)C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000276443738 550578422 /nfs/dbraw/zinc/57/84/22/550578422.db2.gz OVAOGNOABLPCTQ-UHFFFAOYSA-N 1 0 361.511 2.251 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)NC[C@@H]2CSCCN2Cc2ccccc2)CC1 ZINC000277402011 550666005 /nfs/dbraw/zinc/66/60/05/550666005.db2.gz FOVNMEJUCCKAER-HXUWFJFHSA-N 1 0 371.550 2.065 20 30 FEEDRO COc1ccc(N2CC[NH+](CCCNC(=O)CC(C)(C)C#N)CC2)cc1 ZINC000278193541 550759411 /nfs/dbraw/zinc/75/94/11/550759411.db2.gz FFJDDSCUJYHZKK-UHFFFAOYSA-N 1 0 358.486 2.263 20 30 FEEDRO CC(C)(C#N)CC(=O)N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000278283566 550768571 /nfs/dbraw/zinc/76/85/71/550768571.db2.gz QLEVRFQOGXHADR-GOSISDBHSA-N 1 0 369.513 2.382 20 30 FEEDRO C[C@H]1CN(C2CC2)C[C@@H]1[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000278668214 550809680 /nfs/dbraw/zinc/80/96/80/550809680.db2.gz NVVDKOGVWRAFDM-KXBFYZLASA-N 1 0 350.470 2.431 20 30 FEEDRO C[NH+](C)[C@H]1CCCN(S(=O)(=O)c2ccc(C#N)c(Br)c2)C1 ZINC000278826316 550826107 /nfs/dbraw/zinc/82/61/07/550826107.db2.gz ONKJUZBCUGDNOO-LBPRGKRZSA-N 1 0 372.288 2.035 20 30 FEEDRO CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000279171969 550861518 /nfs/dbraw/zinc/86/15/18/550861518.db2.gz BVWHCOXYLJSJSO-UHFFFAOYSA-N 1 0 373.501 2.291 20 30 FEEDRO C#CCn1ccc(CN(CC)C(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)n1 ZINC000279200014 550864268 /nfs/dbraw/zinc/86/42/68/550864268.db2.gz JAVBXYPWWDKQMW-HDICACEKSA-N 1 0 359.518 2.416 20 30 FEEDRO N#CCCn1cc(C[N@@H+]2CCC[C@@H](C3OCCO3)C2)c(-c2ccncc2)n1 ZINC000279356252 550881104 /nfs/dbraw/zinc/88/11/04/550881104.db2.gz GSGXFMXYEJHOJE-QGZVFWFLSA-N 1 0 367.453 2.444 20 30 FEEDRO C#CCn1ccc(C[N@H+](CC)CCCCN2C(=O)c3ccccc3C2=O)n1 ZINC000279662603 550913909 /nfs/dbraw/zinc/91/39/09/550913909.db2.gz DBMWJAZHOMTBNQ-UHFFFAOYSA-N 1 0 364.449 2.415 20 30 FEEDRO N#Cc1ccc(NC(=O)CC[N@H+]2CCc3ncc([N+](=O)[O-])cc3C2)cc1 ZINC000495450738 561488161 /nfs/dbraw/zinc/48/81/61/561488161.db2.gz VIJFWVJAVVRSBW-UHFFFAOYSA-N 1 0 351.366 2.248 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cc(OC)c(C)cc2C)CC1 ZINC000280289615 550977068 /nfs/dbraw/zinc/97/70/68/550977068.db2.gz HVUSUFJFBJSJJO-UHFFFAOYSA-N 1 0 359.470 2.407 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000280599182 551011713 /nfs/dbraw/zinc/01/17/13/551011713.db2.gz XNUYAUSAGZRHGU-KDURUIRLSA-N 1 0 367.474 2.311 20 30 FEEDRO COC(=O)C[C@@H]1CC[C@H]([NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)[C@H]1C ZINC000280658978 551018419 /nfs/dbraw/zinc/01/84/19/551018419.db2.gz STEBVUZLLLQKRW-QZHFEQFPSA-N 1 0 369.465 2.227 20 30 FEEDRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000281027820 551055989 /nfs/dbraw/zinc/05/59/89/551055989.db2.gz ZXXXNMDNTZHNFM-OAHLLOKOSA-N 1 0 374.510 2.380 20 30 FEEDRO Cc1nc(C#N)c(N2CCC(C(=O)N(C)CCC[NH+]3CCCC3)CC2)o1 ZINC000281610222 551120217 /nfs/dbraw/zinc/12/02/17/551120217.db2.gz DYVAWNOBFAQXPX-UHFFFAOYSA-N 1 0 359.474 2.015 20 30 FEEDRO C#C[C@@H](NC(=O)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1)C(C)C ZINC000281673518 551128978 /nfs/dbraw/zinc/12/89/78/551128978.db2.gz ZMLKATWXXQHSJD-LJQANCHMSA-N 1 0 355.482 2.428 20 30 FEEDRO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000281900061 551155233 /nfs/dbraw/zinc/15/52/33/551155233.db2.gz UWLOELBADNTRSK-IEBWSBKVSA-N 1 0 361.486 2.407 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N[C@H](Cn2ccccc2=O)c2ccccc2)CC1 ZINC000282141040 551185892 /nfs/dbraw/zinc/18/58/92/551185892.db2.gz RYVKVFLTXAKNOE-HXUWFJFHSA-N 1 0 363.461 2.051 20 30 FEEDRO COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@H](C)[N@@H+]2CCC(=O)Nc2ccccc2C#N)O1 ZINC000282348788 551215030 /nfs/dbraw/zinc/21/50/30/551215030.db2.gz CLQRKYMBYDMHLX-NBMRYCAZSA-N 1 0 371.437 2.070 20 30 FEEDRO C=CCS(=O)(=O)CC[NH2+][C@@H]1CC[C@@H](C(=O)OCC)c2ccccc21 ZINC000282685074 551259758 /nfs/dbraw/zinc/25/97/58/551259758.db2.gz AHVUKAHJOSJAHS-IAGOWNOFSA-N 1 0 351.468 2.359 20 30 FEEDRO C[C@H](CC#N)N(C)S(=O)(=O)N1CCC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000282985313 551293604 /nfs/dbraw/zinc/29/36/04/551293604.db2.gz MJQWZJUPWZSBSP-SJORKVTESA-N 1 0 364.515 2.062 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N[C@@H](C)c1cccnc1)C(C)C ZINC000283226171 551332473 /nfs/dbraw/zinc/33/24/73/551332473.db2.gz VEDVUJNTLIXQQU-WMZOPIPTSA-N 1 0 358.486 2.074 20 30 FEEDRO C[C@@H](NC(=O)C(=O)N(C)CC[C@H]1CCCC[N@@H+]1C)c1ccc(C#N)cc1 ZINC000283534108 551383045 /nfs/dbraw/zinc/38/30/45/551383045.db2.gz DKSOICIYUBEUAK-CRAIPNDOSA-N 1 0 356.470 2.068 20 30 FEEDRO C=C(C)Cn1c(C(=O)NC(C)C)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000283550631 551386120 /nfs/dbraw/zinc/38/61/20/551386120.db2.gz IDHPARYNMGGFQR-QGZVFWFLSA-N 1 0 374.533 2.305 20 30 FEEDRO C=CCN1CC[C@@H](ON=C(N)c2ccccc2C[NH+]2CCCCC2)C1=O ZINC000283585736 551391834 /nfs/dbraw/zinc/39/18/34/551391834.db2.gz RNBRDUYVDCZLKA-GOSISDBHSA-N 1 0 356.470 2.096 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H](C)c2ccc(F)cc2F)CC1 ZINC000283631444 551400310 /nfs/dbraw/zinc/40/03/10/551400310.db2.gz YBEXUXUPBWYCOD-CYBMUJFWSA-N 1 0 365.424 2.299 20 30 FEEDRO Cc1nc(CN2CCN(c3cc(N)c([N+](=O)[O-])c(C#N)c3)CC2)cs1 ZINC000283657270 551404465 /nfs/dbraw/zinc/40/44/65/551404465.db2.gz VUYOUJSGPFPBAO-UHFFFAOYSA-N 1 0 358.427 2.136 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)c2ccccc2S[C@H](C)C(N)=O)CC1 ZINC000283730529 551418065 /nfs/dbraw/zinc/41/80/65/551418065.db2.gz ZFQIQCDZVIBTQD-CQSZACIVSA-N 1 0 361.511 2.423 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H](C)c2c(F)cccc2F)CC1 ZINC000284021662 551469959 /nfs/dbraw/zinc/46/99/59/551469959.db2.gz OGZCWWQVPIBEHL-CYBMUJFWSA-N 1 0 365.424 2.299 20 30 FEEDRO C=CCN(CC=C)C(=O)C(=O)NC[C@@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC000284146753 551492437 /nfs/dbraw/zinc/49/24/37/551492437.db2.gz XTSKBVPCIXHYEY-IBGZPJMESA-N 1 0 371.481 2.149 20 30 FEEDRO C=CCN(CC=C)C(=O)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000284547170 551574511 /nfs/dbraw/zinc/57/45/11/551574511.db2.gz CQRDTGRRLALTOD-UHFFFAOYSA-N 1 0 355.482 2.489 20 30 FEEDRO C=CCN(CC=C)C(=O)C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000284612044 551590007 /nfs/dbraw/zinc/59/00/07/551590007.db2.gz XLHZTUKGMNMRJG-UHFFFAOYSA-N 1 0 355.482 2.010 20 30 FEEDRO CC[NH+]1CCN(CCCNC(=O)C(C)(C)c2cc(F)cc(C#N)c2)CC1 ZINC000284965979 551678712 /nfs/dbraw/zinc/67/87/12/551678712.db2.gz AXCSRYNHLOVCSB-UHFFFAOYSA-N 1 0 360.477 2.119 20 30 FEEDRO Cn1cc([C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C(=O)N(CC#N)C2CC2)cn1 ZINC000285270208 551729520 /nfs/dbraw/zinc/72/95/20/551729520.db2.gz SPEZIHWWGMZHHJ-UXHICEINSA-N 1 0 363.465 2.150 20 30 FEEDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N(C)Cc2ccc(C#N)cc2)C1 ZINC000285276347 551730779 /nfs/dbraw/zinc/73/07/79/551730779.db2.gz ZQMHJAFSGWLNOC-MRXNPFEDSA-N 1 0 370.497 2.143 20 30 FEEDRO Cn1cc(CN2CCO[C@]3(CCCOC3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000285365040 551744523 /nfs/dbraw/zinc/74/45/23/551744523.db2.gz QNPNEFNCCXQJLQ-HXUWFJFHSA-N 1 0 352.438 2.340 20 30 FEEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH2+][C@H]1CCC[C@@H]1CCO ZINC000285585264 551778752 /nfs/dbraw/zinc/77/87/52/551778752.db2.gz BEMOAPPIRYHCST-BBWFWOEESA-N 1 0 359.470 2.471 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2c3cccc(F)c3CC[C@@H]2C)CC1 ZINC000286367057 551879444 /nfs/dbraw/zinc/87/94/44/551879444.db2.gz CERXXQCOLCMYFT-IFXJQAMLSA-N 1 0 373.472 2.332 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)NCC2(Sc3ccccc3)CC2)CC1 ZINC000286500459 551893271 /nfs/dbraw/zinc/89/32/71/551893271.db2.gz KJMSNULYWKEPGA-UHFFFAOYSA-N 1 0 373.522 2.194 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H]2Cc2ccccc2)CC1 ZINC000286692392 551915478 /nfs/dbraw/zinc/91/54/78/551915478.db2.gz PLFHBSKLJCDPGB-HXUWFJFHSA-N 1 0 369.509 2.377 20 30 FEEDRO N#Cc1ccc(N2CC[NH+](C[C@@H](O)Cc3cccc(Cl)c3)CC2)nc1 ZINC000286719062 551918364 /nfs/dbraw/zinc/91/83/64/551918364.db2.gz DEQCUNGNGUUXQM-SFHVURJKSA-N 1 0 356.857 2.332 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[C@H](Cc3ccccc3)C2)CC1 ZINC000286735238 551920444 /nfs/dbraw/zinc/92/04/44/551920444.db2.gz RTPXBSUUZRYPEA-UYAOXDASSA-N 1 0 369.509 2.281 20 30 FEEDRO CCC[N@H+](CC)CCNC(=O)Nc1ccc(S(=O)(=O)[C@@H](C)C#N)cc1 ZINC000286984925 551948405 /nfs/dbraw/zinc/94/84/05/551948405.db2.gz CFUWDJVAAVYPSO-AWEZNQCLSA-N 1 0 366.487 2.226 20 30 FEEDRO COc1ccc([C@@H](C)[NH2+]CC(=O)N(CCC#N)CCC#N)c(C)c1OC ZINC000286999005 551950165 /nfs/dbraw/zinc/95/01/65/551950165.db2.gz PXCVJJRELUQUGO-OAHLLOKOSA-N 1 0 358.442 2.319 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)Nc2ccc(OCCCOC)c(OC)c2)CC1 ZINC000287037921 551954704 /nfs/dbraw/zinc/95/47/04/551954704.db2.gz RFWAGMIKGJJMKB-UHFFFAOYSA-N 1 0 360.454 2.394 20 30 FEEDRO C=CCOc1ccc(CNC(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cc1 ZINC000287071592 551959807 /nfs/dbraw/zinc/95/98/07/551959807.db2.gz VALYIWRGPWZDBL-VQTJNVASSA-N 1 0 373.497 2.428 20 30 FEEDRO C[C@@H](C[NH+](C)C)NC(=O)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000288024718 552076598 /nfs/dbraw/zinc/07/65/98/552076598.db2.gz CTMCOFFPMWGNOL-AWEZNQCLSA-N 1 0 366.421 2.355 20 30 FEEDRO C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)[C@H]1C ZINC000288125062 552095487 /nfs/dbraw/zinc/09/54/87/552095487.db2.gz KGVBLRMTURHSRM-BFYDXBDKSA-N 1 0 370.453 2.001 20 30 FEEDRO C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000288228109 552115088 /nfs/dbraw/zinc/11/50/88/552115088.db2.gz UXNXJIHCDYZTPT-ARFHVFGLSA-N 1 0 370.453 2.001 20 30 FEEDRO C=CCOc1ccc(CNC(=O)N2CCC([N@H+](C)CCCO)CC2)cc1 ZINC000288504910 552165231 /nfs/dbraw/zinc/16/52/31/552165231.db2.gz ROTOERAEYCWOMR-UHFFFAOYSA-N 1 0 361.486 2.240 20 30 FEEDRO C[NH+](C)C1CCN(c2ccc(NC(=O)c3cc(C#N)ccn3)nc2)CC1 ZINC000288535673 552170830 /nfs/dbraw/zinc/17/08/30/552170830.db2.gz VNIWTJIHHMXLAW-UHFFFAOYSA-N 1 0 350.426 2.131 20 30 FEEDRO C=CCCCCNC(=O)C(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000288976365 552246701 /nfs/dbraw/zinc/24/67/01/552246701.db2.gz XJRRESZYBILAAD-INIZCTEOSA-N 1 0 358.486 2.196 20 30 FEEDRO C#CCCOc1ccc(C[N@H+]2CCC[C@H]2C[C@@]2(C)NC(=O)NC2=O)cc1 ZINC000289201729 552282003 /nfs/dbraw/zinc/28/20/03/552282003.db2.gz BLUNMMNOESJRSO-OXJNMPFZSA-N 1 0 355.438 2.041 20 30 FEEDRO C=CC[C@@H](CO)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000289590453 552345433 /nfs/dbraw/zinc/34/54/33/552345433.db2.gz UDHWPAQWVGPHIR-NSHDSACASA-N 1 0 362.167 2.226 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cc(C)c(OC)cc2Cl)CC1 ZINC000289666382 552359240 /nfs/dbraw/zinc/35/92/40/552359240.db2.gz MJFQCFWKINXLPB-UHFFFAOYSA-N 1 0 365.861 2.362 20 30 FEEDRO C[NH+]1CCN(c2ncccc2CNC(=O)Nc2ccc(C#N)c(F)c2)CC1 ZINC000290004224 552412563 /nfs/dbraw/zinc/41/25/63/552412563.db2.gz ZIYHWBGLZOKLFI-UHFFFAOYSA-N 1 0 368.416 2.166 20 30 FEEDRO C=CCN(C(=O)C(=O)Nc1cccc(NC(=O)C[NH+](CC)CC)c1)C1CC1 ZINC000500692331 561579672 /nfs/dbraw/zinc/57/96/72/561579672.db2.gz ZIHKMLBJMOVMSC-UHFFFAOYSA-N 1 0 372.469 2.082 20 30 FEEDRO N#CCCN(CCC#N)C(=O)C[NH2+][C@H]1c2ccccc2CC12CCOCC2 ZINC000290182297 552439507 /nfs/dbraw/zinc/43/95/07/552439507.db2.gz RAQQLYBCWDJXKQ-FQEVSTJZSA-N 1 0 366.465 2.326 20 30 FEEDRO CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCC([C@@H](O)c2ccc(OC)cc2)CC1 ZINC000291863646 552669748 /nfs/dbraw/zinc/66/97/48/552669748.db2.gz PKYFBQFDINJZRJ-IERDGZPVSA-N 1 0 373.497 2.449 20 30 FEEDRO C[N@@H+]1CC[C@@]2(CCN(C(=O)C3CCN(c4ccc(C#N)cc4F)CC3)C2)C1 ZINC000292074542 552690907 /nfs/dbraw/zinc/69/09/07/552690907.db2.gz BVTAHGCYQLOHLT-OAQYLSRUSA-N 1 0 370.472 2.468 20 30 FEEDRO N#Cc1ccc(O[C@@H]2CC[N@@H+](CCC(=O)Nc3ccccc3C#N)C2)nc1 ZINC000292212494 552705247 /nfs/dbraw/zinc/70/52/47/552705247.db2.gz OLZRAKQGEXOOMM-QGZVFWFLSA-N 1 0 361.405 2.307 20 30 FEEDRO C[NH+](C)CCCOc1cnccc1CNC(=O)c1ccc(F)c(C#N)c1 ZINC000292223836 552706253 /nfs/dbraw/zinc/70/62/53/552706253.db2.gz ZWKIZWIOTUXNPZ-UHFFFAOYSA-N 1 0 356.401 2.353 20 30 FEEDRO N#Cc1ccc(OC2CC[NH+](C[C@@H](O)COCC(F)(F)F)CC2)cc1 ZINC000292621766 552743701 /nfs/dbraw/zinc/74/37/01/552743701.db2.gz MWWWCYDTKDJPBJ-CQSZACIVSA-N 1 0 358.360 2.341 20 30 FEEDRO C[C@@H]1Oc2ccc(C(=O)C3CC[NH+](CCOCCC#N)CC3)cc2NC1=O ZINC000292689276 552749669 /nfs/dbraw/zinc/74/96/69/552749669.db2.gz CKJLNUXOCCASQX-AWEZNQCLSA-N 1 0 371.437 2.231 20 30 FEEDRO C[C@@](C#N)(NC(=O)C[NH2+]C1(Cc2ccc(F)cc2)CCOCC1)C1CC1 ZINC000292739404 552754080 /nfs/dbraw/zinc/75/40/80/552754080.db2.gz AIFBTVGUNSMCOW-IBGZPJMESA-N 1 0 359.445 2.315 20 30 FEEDRO C=CCC[C@@H](O)C[N@@H+](CC)C[C@H](O)COc1ccc(CCOC)cc1 ZINC000292914830 552770662 /nfs/dbraw/zinc/77/06/62/552770662.db2.gz HTWOMLAVGRYYBL-MOPGFXCFSA-N 1 0 351.487 2.264 20 30 FEEDRO C=CCN(CCC#N)C(=O)C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000293285318 552807288 /nfs/dbraw/zinc/80/72/88/552807288.db2.gz VJYWSKMOIQWFRB-UHFFFAOYSA-N 1 0 372.494 2.102 20 30 FEEDRO CCc1nc(C)c(CNC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)o1 ZINC000293692463 552847754 /nfs/dbraw/zinc/84/77/54/552847754.db2.gz NUXQQMZYLVCBGR-UHFFFAOYSA-N 1 0 367.453 2.445 20 30 FEEDRO N#Cc1ccc(O[C@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)C2)nc1 ZINC000293734906 552851395 /nfs/dbraw/zinc/85/13/95/552851395.db2.gz NPWGZCONMBZPKE-ROUUACIJSA-N 1 0 354.454 2.340 20 30 FEEDRO C[NH+](C)Cc1ccc(C(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1 ZINC000293806934 552858190 /nfs/dbraw/zinc/85/81/90/552858190.db2.gz TZDQUZOTEVBQCR-SFHVURJKSA-N 1 0 350.422 2.308 20 30 FEEDRO COc1ccc(C[NH2+][C@H]2CCS(=O)(=O)[C@H]2C)cc1OCCCC#N ZINC000293822010 552859409 /nfs/dbraw/zinc/85/94/09/552859409.db2.gz FWENZIDXUOIVGA-ZFWWWQNUSA-N 1 0 352.456 2.043 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)c1ccccc1SCC(=O)N1CCCC1 ZINC000293896862 552866017 /nfs/dbraw/zinc/86/60/17/552866017.db2.gz DWLFWHZFWJVEQM-UHFFFAOYSA-N 1 0 373.522 2.086 20 30 FEEDRO C=CCN(CC=C)C(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000501728331 561604156 /nfs/dbraw/zinc/60/41/56/561604156.db2.gz GHAJAFVZUONMTH-MJGOQNOKSA-N 1 0 355.482 2.214 20 30 FEEDRO C=CCOc1ccc(CC(=O)NCCCC[NH+]2CCN(CC)CC2)cc1 ZINC000294883577 552941367 /nfs/dbraw/zinc/94/13/67/552941367.db2.gz DWAYQIMIORVYAH-UHFFFAOYSA-N 1 0 359.514 2.328 20 30 FEEDRO CCO[C@H](CC[NH+](C)C)CNC(=O)c1ccc(Br)cc1C#N ZINC000295087715 552957701 /nfs/dbraw/zinc/95/77/01/552957701.db2.gz XIBHMRGTUYKXHD-CQSZACIVSA-N 1 0 368.275 2.407 20 30 FEEDRO C#CCCOc1ccc(C(=O)N2CC[N@H+](C3CCOCC3)C[C@@H]2C)cc1 ZINC000295139956 552962713 /nfs/dbraw/zinc/96/27/13/552962713.db2.gz CAQAPNILEUVNBC-KRWDZBQOSA-N 1 0 356.466 2.414 20 30 FEEDRO C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@@H](c2cnn(C)c2)C2(C1)CCOCC2 ZINC000295148943 552963506 /nfs/dbraw/zinc/96/35/06/552963506.db2.gz NGCOXGNCUOJKGX-SFHVURJKSA-N 1 0 360.502 2.041 20 30 FEEDRO Cc1nccn1CCCN(C)S(=O)(=O)Cc1ccc(F)cc1C#N ZINC000295202106 552969399 /nfs/dbraw/zinc/96/93/99/552969399.db2.gz SQTDZKMOUYAPIZ-UHFFFAOYSA-N 1 0 350.419 2.054 20 30 FEEDRO C#CCO[C@@H](C)C(=O)Nc1ccnn1[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000295413735 553002383 /nfs/dbraw/zinc/00/23/83/553002383.db2.gz DIKJFUVYADKMJB-FUHWJXTLSA-N 1 0 352.438 2.307 20 30 FEEDRO C#CCO[C@H](C)C(=O)Nc1ccnn1[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000295413732 553002474 /nfs/dbraw/zinc/00/24/74/553002474.db2.gz DIKJFUVYADKMJB-AEFFLSMTSA-N 1 0 352.438 2.307 20 30 FEEDRO CC#CCCNC(=O)N1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000502130933 561612640 /nfs/dbraw/zinc/61/26/40/561612640.db2.gz VUNBRVIEUWRMQB-HXUWFJFHSA-N 1 0 354.498 2.002 20 30 FEEDRO N#Cc1cc(F)ccc1CS(=O)(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000295787223 553058905 /nfs/dbraw/zinc/05/89/05/553058905.db2.gz UUOCSRKOOOPFNO-SFHVURJKSA-N 1 0 365.474 2.477 20 30 FEEDRO C=CCc1ccccc1OC[C@@H](O)CN1C[C@@H](OC)C[C@H]1C[NH+]1CCCC1 ZINC000502377794 561617200 /nfs/dbraw/zinc/61/72/00/561617200.db2.gz JDZUHBMVERFKST-ACRUOGEOSA-N 1 0 374.525 2.340 20 30 FEEDRO C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2cccs2)CC1 ZINC000296056133 553097104 /nfs/dbraw/zinc/09/71/04/553097104.db2.gz ROKKGMPNZGKRDX-KRWDZBQOSA-N 1 0 371.510 2.385 20 30 FEEDRO C[NH+]1CCN(Cc2ccc(CNC(=O)N[C@H]3CC[C@@H](CC#N)C3)cc2)CC1 ZINC000296374628 553149849 /nfs/dbraw/zinc/14/98/49/553149849.db2.gz PJPYOEZAYBXGGM-PXNSSMCTSA-N 1 0 369.513 2.316 20 30 FEEDRO N#Cc1cc(F)ccc1CS(=O)(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000296384789 553151228 /nfs/dbraw/zinc/15/12/28/553151228.db2.gz TZJPUVLNNPUAFQ-QGZVFWFLSA-N 1 0 351.447 2.134 20 30 FEEDRO C[C@@H](CNC(=O)C(=O)Nc1sc(C(C)(C)C)cc1C#N)C[NH+](C)C ZINC000296915108 553228998 /nfs/dbraw/zinc/22/89/98/553228998.db2.gz MAAAXJSAHJLVKJ-NSHDSACASA-N 1 0 350.488 2.170 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)Nc2ncc(CC(=O)OCC)s2)CC1 ZINC000297178604 553259709 /nfs/dbraw/zinc/25/97/09/553259709.db2.gz NRMSDTARCXIICT-UHFFFAOYSA-N 1 0 352.460 2.021 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)Nc2cc(COC)cc(C(=O)OC)c2)CC1 ZINC000297490661 553299139 /nfs/dbraw/zinc/29/91/39/553299139.db2.gz UGKDFNGGJANTNR-UHFFFAOYSA-N 1 0 361.442 2.392 20 30 FEEDRO C[C@H](C#N)CN(C)C(=O)C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000297635673 553318467 /nfs/dbraw/zinc/31/84/67/553318467.db2.gz IHKBMDKOXXELNY-ZHALLVOQSA-N 1 0 370.497 2.116 20 30 FEEDRO COc1ccc2c(O)c(C(=O)N(CCC#N)CCC[NH+](C)C)cnc2c1 ZINC000298092111 553383166 /nfs/dbraw/zinc/38/31/66/553383166.db2.gz KJGAUUCMVBNFNB-UHFFFAOYSA-N 1 0 356.426 2.257 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1ccc(-n2cnnn2)cc1)C(C)C ZINC000503411404 561640751 /nfs/dbraw/zinc/64/07/51/561640751.db2.gz PJCJPEZZYFZHOI-GOSISDBHSA-N 1 0 369.473 2.482 20 30 FEEDRO C[C@@H]1CN(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)C[C@H]1C[NH3+] ZINC000601567232 553436828 /nfs/dbraw/zinc/43/68/28/553436828.db2.gz XJDXOZPMPMAJAZ-DGCLKSJQSA-N 1 0 358.833 2.456 20 30 FEEDRO C[C@H](C(=O)N(C)CCC#N)N(C)C[C@H](O)c1cccc(Br)c1 ZINC000298542544 553437970 /nfs/dbraw/zinc/43/79/70/553437970.db2.gz XPOPJOTYWMDADP-DOMZBBRYSA-N 1 0 368.275 2.175 20 30 FEEDRO C[NH+]1CCC([C@H]2CCN(C(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)C2)CC1 ZINC000503614013 561645525 /nfs/dbraw/zinc/64/55/25/561645525.db2.gz VWWNVVQZPGZLLE-OXJNMPFZSA-N 1 0 363.502 2.438 20 30 FEEDRO CC[N@H+](CC(=O)N1CCC(C(=O)OC)CC1)[C@H](C)c1ccc(C#N)cc1 ZINC000299092847 553514337 /nfs/dbraw/zinc/51/43/37/553514337.db2.gz UHDBBBUHWGWIAI-OAHLLOKOSA-N 1 0 357.454 2.353 20 30 FEEDRO Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C12CCC[NH+](CCC1)C2 ZINC000602134955 553525194 /nfs/dbraw/zinc/52/51/94/553525194.db2.gz HOPDGSLEPWEBDT-UHFFFAOYSA-N 1 0 350.426 2.262 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCC[C@@H](CNC(C)=O)C1)C(C)C ZINC000299349745 553551430 /nfs/dbraw/zinc/55/14/30/553551430.db2.gz QGMJBUOONXBJRB-OALUTQOASA-N 1 0 364.534 2.243 20 30 FEEDRO N#CCC[C@H](C#N)CN1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000299590643 553585517 /nfs/dbraw/zinc/58/55/17/553585517.db2.gz SWDSYULCLIJVPQ-WOJBJXKFSA-N 1 0 366.513 2.359 20 30 FEEDRO CCC[N@H+](CC)CCNC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000504434816 561658259 /nfs/dbraw/zinc/65/82/59/561658259.db2.gz OVBXAIUTHAAYQA-SFHVURJKSA-N 1 0 371.485 2.085 20 30 FEEDRO CCc1ccc([C@H](CNc2ccc(S(N)(=O)=O)cc2C#N)[NH+](C)C)cc1 ZINC000301208597 553631230 /nfs/dbraw/zinc/63/12/30/553631230.db2.gz SCIHMLNHLVDVGG-IBGZPJMESA-N 1 0 372.494 2.483 20 30 FEEDRO C[C@H]1C[C@H](C)C[NH+](CCCCNc2ccc(S(N)(=O)=O)cc2C#N)C1 ZINC000301362544 553645466 /nfs/dbraw/zinc/64/54/66/553645466.db2.gz MJPHYVPIBOHUHR-GJZGRUSLSA-N 1 0 364.515 2.376 20 30 FEEDRO Cc1cc(NC(=O)N2CC3(CCCC3)OC[C@H]2C[NH+](C)C)ncc1C#N ZINC000603113901 553710859 /nfs/dbraw/zinc/71/08/59/553710859.db2.gz XNOUXVNPZCDMAV-MRXNPFEDSA-N 1 0 357.458 2.369 20 30 FEEDRO COc1c[nH+]ccc1N1CCN(C(=O)Nc2cc(C)c(C#N)cn2)CC1 ZINC000603114624 553711369 /nfs/dbraw/zinc/71/13/69/553711369.db2.gz SRZONRVGRCWBCR-UHFFFAOYSA-N 1 0 352.398 2.019 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c(Cl)c1 ZINC000321878894 553767604 /nfs/dbraw/zinc/76/76/04/553767604.db2.gz PVSHNPNKIJMBQH-DZGCQCFKSA-N 1 0 353.875 2.364 20 30 FEEDRO C[C@H](CNC(=O)N1CCS(=O)(=O)[C@@H]2CCCC[C@H]21)[N@@H+]1CCC[C@@H](C)C1 ZINC000328598650 553794601 /nfs/dbraw/zinc/79/46/01/553794601.db2.gz BIICSRDGTQXOKI-QBPKDAKJSA-N 1 0 371.547 2.062 20 30 FEEDRO Cc1nn(C)c(C)c1NC(=O)[C@H](C)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000328659450 553803893 /nfs/dbraw/zinc/80/38/93/553803893.db2.gz SUCQNRGNRMZZFS-IRXDYDNUSA-N 1 0 363.506 2.058 20 30 FEEDRO COC1CCC(CNC(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)CC1 ZINC000328681425 553806342 /nfs/dbraw/zinc/80/63/42/553806342.db2.gz CMXIAKZPEOHAIH-LXPRWKDFSA-N 1 0 353.507 2.150 20 30 FEEDRO CCN1CC[NH+](C[C@H](C)CNC(=O)N[C@H]2CCCC23CCOCC3)CC1 ZINC000328689499 553807845 /nfs/dbraw/zinc/80/78/45/553807845.db2.gz BIRMHCBDCOVBBX-MSOLQXFVSA-N 1 0 366.550 2.113 20 30 FEEDRO O=C(NC[C@H]1CN(Cc2ccccc2)CCO1)c1cn2c(n1)CCCC2 ZINC000328715724 553811231 /nfs/dbraw/zinc/81/12/31/553811231.db2.gz ONUVBMQBTHUYBK-KRWDZBQOSA-N 1 0 354.454 2.425 20 30 FEEDRO CC(C)[NH+]1CCC(N(C)CC(=O)N[C@@H](C)C(=O)N2CCCCC2)CC1 ZINC000328718266 553811789 /nfs/dbraw/zinc/81/17/89/553811789.db2.gz PSJULCMUBRTNOA-INIZCTEOSA-N 1 0 352.523 2.149 20 30 FEEDRO CC(C)Cn1ncc2cc(C(=O)NCCN3CC[N@H+](C)C(C)(C)C3)cnc21 ZINC000328729583 553813555 /nfs/dbraw/zinc/81/35/55/553813555.db2.gz WDDWXCPJZANIEZ-UHFFFAOYSA-N 1 0 372.517 2.418 20 30 FEEDRO C[N@@H+]1CCC[C@H]1CNC(=O)NCc1cc2c(c(Br)c1)OCO2 ZINC000328746851 553815766 /nfs/dbraw/zinc/81/57/66/553815766.db2.gz OWZJOADGANYBRL-NSHDSACASA-N 1 0 370.247 2.276 20 30 FEEDRO CC(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000328760822 553818200 /nfs/dbraw/zinc/81/82/00/553818200.db2.gz XNMKCBWXFIYEGF-KURKYZTESA-N 1 0 353.507 2.006 20 30 FEEDRO CC(C)[NH+]1CCC(O)(CNC(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)CC1 ZINC000328833026 553829500 /nfs/dbraw/zinc/82/95/00/553829500.db2.gz LNIHCCVPNRGEAJ-BBWFWOEESA-N 1 0 365.518 2.073 20 30 FEEDRO CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1[C@@H](C)OCC(=O)N1Cc1ccccc1 ZINC000328934120 553847920 /nfs/dbraw/zinc/84/79/20/553847920.db2.gz FCBAWWPTHKZLCQ-AYBZRNKSSA-N 1 0 359.470 2.243 20 30 FEEDRO CCC(=O)N1CSC[C@@H]1C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000328939941 553849611 /nfs/dbraw/zinc/84/96/11/553849611.db2.gz KPHVADWBDJEGJH-OAGGEKHMSA-N 1 0 369.531 2.022 20 30 FEEDRO CC(C)N1C(=O)N[C@@H]2CN(C(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)CC[C@@H]21 ZINC000328994768 553861006 /nfs/dbraw/zinc/86/10/06/553861006.db2.gz WEFNMPOOHUCMGY-CABCVRRESA-N 1 0 365.522 2.291 20 30 FEEDRO C[N@@H+]1CC[C@@H]2OCCN(CC(=O)NCCc3cccc4cccnc43)[C@@H]2C1 ZINC000329020460 553865732 /nfs/dbraw/zinc/86/57/32/553865732.db2.gz LUJDCKPATNHLDL-MOPGFXCFSA-N 1 0 368.481 2.139 20 30 FEEDRO C[C@H](CCNC(=O)N1CCC[C@@H]1[C@@H]1COCC[C@]1(C)O)[NH+]1CCCCC1 ZINC000329040377 553869837 /nfs/dbraw/zinc/86/98/37/553869837.db2.gz IADBRHUCWNJJPL-RMJJICAUSA-N 1 0 367.534 2.417 20 30 FEEDRO CN(C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C)C(=O)N[C@H]1CCSC1 ZINC000329060935 553873308 /nfs/dbraw/zinc/87/33/08/553873308.db2.gz NLVSDTNLYSPKKJ-OFQRWUPVSA-N 1 0 351.520 2.154 20 30 FEEDRO COc1cccc([C@@H]2[C@H](NC(=O)[C@H]3COCCN3C)CC[N@@H+]2C2CC2)c1 ZINC000329068877 553874634 /nfs/dbraw/zinc/87/46/34/553874634.db2.gz XUGBAMSEONCWIH-GUDVDZBRSA-N 1 0 359.470 2.260 20 30 FEEDRO CCn1ccnc1[C@H]1OCC[C@@H]1NC(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000329151106 553890193 /nfs/dbraw/zinc/89/01/93/553890193.db2.gz ZXPYIXXLIQTHCZ-YVSFHVDLSA-N 1 0 363.506 2.357 20 30 FEEDRO CCc1ccccc1OCC(=O)NC1CC[NH+]([C@H]2CCN(C)C2=O)CC1 ZINC000329152022 553890265 /nfs/dbraw/zinc/89/02/65/553890265.db2.gz BCJWZJZIYAIROR-KRWDZBQOSA-N 1 0 359.470 2.279 20 30 FEEDRO Cc1nn(C)c(C)c1[C@H]1COCCN1C(=O)NCC1([NH+](C)C)CCCC1 ZINC000329158399 553891702 /nfs/dbraw/zinc/89/17/02/553891702.db2.gz WXCKDXXZZHIRMP-MRXNPFEDSA-N 1 0 363.506 2.199 20 30 FEEDRO CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)N[C@@H]2CCC[C@@H]3OCC[C@@H]32)C1 ZINC000329171023 553894451 /nfs/dbraw/zinc/89/44/51/553894451.db2.gz JWQWGYULPDTHKF-AVEIZBFRSA-N 1 0 351.491 2.043 20 30 FEEDRO CN1CC[C@H]([NH+]2CCC(NC(=O)Cc3c[nH]c4ccccc34)CC2)C1=O ZINC000329172489 553894835 /nfs/dbraw/zinc/89/48/35/553894835.db2.gz KZLOZJOVWCPZOH-SFHVURJKSA-N 1 0 354.454 2.362 20 30 FEEDRO CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)N[C@@H]2CC(C)(C)OC2(C)C)C1 ZINC000329182012 553897230 /nfs/dbraw/zinc/89/72/30/553897230.db2.gz NRAFZGDDOZHXLP-HRCADAONSA-N 1 0 353.507 2.432 20 30 FEEDRO CO[C@](C)(C(=O)NC1CC[NH+]([C@H]2CCN(C)C2=O)CC1)c1ccccc1 ZINC000329182201 553897278 /nfs/dbraw/zinc/89/72/78/553897278.db2.gz OLAPFUVIFXYBAN-PXNSSMCTSA-N 1 0 359.470 2.200 20 30 FEEDRO Cc1cc(NC(=O)N2C[C@@H]3OCCN(C)[C@H]3C2)cnc1N1CCCC[C@H]1C ZINC000329249228 553910345 /nfs/dbraw/zinc/91/03/45/553910345.db2.gz AREYQKYKHFQLMZ-NJAFHUGGSA-N 1 0 373.501 2.329 20 30 FEEDRO Cc1ccc(N2CCC[C@H](NC(=O)N3CC[C@H]([NH+]4CCCC4)[C@@H]3C)C2)nn1 ZINC000329260027 553912670 /nfs/dbraw/zinc/91/26/70/553912670.db2.gz CRQSGOMMNHNAQE-BZSNNMDCSA-N 1 0 372.517 2.226 20 30 FEEDRO Cc1ccc(C(=O)N2CCN(C(=O)N[C@@H]3CC[N@@H+](C4CC4)C3)CC2)cc1F ZINC000329272238 553914728 /nfs/dbraw/zinc/91/47/28/553914728.db2.gz ADHJVLXGUYBHHI-MRXNPFEDSA-N 1 0 374.460 2.043 20 30 FEEDRO CC(C)[C@H](NC(=O)c1ccccn1)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000329310278 553922559 /nfs/dbraw/zinc/92/25/59/553922559.db2.gz PLNWCSQKHPOKGW-WMZOPIPTSA-N 1 0 358.486 2.498 20 30 FEEDRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)NC1CCN(C(=O)c2ccccc2F)CC1 ZINC000329320839 553924333 /nfs/dbraw/zinc/92/43/33/553924333.db2.gz UGZVHKBWXZNKFL-OAHLLOKOSA-N 1 0 374.460 2.171 20 30 FEEDRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)N[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000329318650 553924771 /nfs/dbraw/zinc/92/47/71/553924771.db2.gz SXCBTEAUXDZFIF-IUODEOHRSA-N 1 0 362.861 2.186 20 30 FEEDRO CC(C)Cn1ncc2cc(C(=O)N[C@@H](C)CN3CC[NH+](C)CC3)cnc21 ZINC000329323802 553925100 /nfs/dbraw/zinc/92/51/00/553925100.db2.gz SDLNSBPYFGTRQU-HNNXBMFYSA-N 1 0 358.490 2.028 20 30 FEEDRO N#Cc1ccc(-n2ccc(NC(=O)N3CC[N@@H+]4CCC[C@H]4C3)n2)c(Cl)c1 ZINC000329352181 553929751 /nfs/dbraw/zinc/92/97/51/553929751.db2.gz XNRCYYCEUZBFIQ-AWEZNQCLSA-N 1 0 370.844 2.709 20 30 FEEDRO Cc1cc(NC(=O)NC[C@@H]2C[N@H+](C)CCN2C)cnc1N1CCCC[C@@H]1C ZINC000329355196 553930919 /nfs/dbraw/zinc/93/09/19/553930919.db2.gz VPSPHUDCTDKMCQ-FUHWJXTLSA-N 1 0 374.533 2.341 20 30 FEEDRO C[NH+]1CCC(C)(CNC(=O)N[C@@H]2CC(=O)N(C3CCCCC3)C2)CC1 ZINC000329360473 553932083 /nfs/dbraw/zinc/93/20/83/553932083.db2.gz XZDHGSLELUKHFS-OAHLLOKOSA-N 1 0 350.507 2.156 20 30 FEEDRO COCCn1cc([C@H]2OCC[C@@H]2C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)cn1 ZINC000329361979 553932764 /nfs/dbraw/zinc/93/27/64/553932764.db2.gz ISQLAJSQKXMDGU-BSDSXHPESA-N 1 0 362.474 2.190 20 30 FEEDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NCC(=O)N(C)C1CCCCC1 ZINC000329409254 553941290 /nfs/dbraw/zinc/94/12/90/553941290.db2.gz CRFNCZZJKBGHIR-WBVHZDCISA-N 1 0 350.507 2.250 20 30 FEEDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)Nc1ccc2c(c1)C(=O)N(C)CC2 ZINC000329455199 553950158 /nfs/dbraw/zinc/95/01/58/553950158.db2.gz OCZGHAGBXFIJAG-WMLDXEAASA-N 1 0 356.470 2.419 20 30 FEEDRO CCC[NH+]1CCC(CNC(=O)N2CCC[C@H](C(=O)N3CCCC3)C2)CC1 ZINC000329475697 553953949 /nfs/dbraw/zinc/95/39/49/553953949.db2.gz PCMFZZVDWWKACO-SFHVURJKSA-N 1 0 364.534 2.357 20 30 FEEDRO CC[NH+]1CCC(N(C)CC(=O)NC(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000329495710 553957915 /nfs/dbraw/zinc/95/79/15/553957915.db2.gz FSOPYZAMRSRLNU-UHFFFAOYSA-N 1 0 362.430 2.333 20 30 FEEDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1ccc(=O)n(-c2cnn(C)c2)c1 ZINC000329509252 553959325 /nfs/dbraw/zinc/95/93/25/553959325.db2.gz JPMYELVPAIIOPS-XHSDSOJGSA-N 1 0 371.485 2.242 20 30 FEEDRO CN(C)c1cc(NC(=O)NCC2([NH+]3CCSCC3)CCCC2)ncn1 ZINC000329524365 553961926 /nfs/dbraw/zinc/96/19/26/553961926.db2.gz QKBZKEIAMKUJOS-UHFFFAOYSA-N 1 0 364.519 2.230 20 30 FEEDRO Cc1ccc(NC(=O)NC(=O)CN(C)C[C@H]2CCS(=O)(=O)C2)c(C)c1 ZINC000329566608 553968728 /nfs/dbraw/zinc/96/87/28/553968728.db2.gz KVRVOLFHWNFKSL-CQSZACIVSA-N 1 0 367.471 2.172 20 30 FEEDRO O=C(Cc1ccc2c(c1)OCCO2)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000329599540 553974568 /nfs/dbraw/zinc/97/45/68/553974568.db2.gz PWCLRRJMRZLRLM-INIZCTEOSA-N 1 0 360.454 2.458 20 30 FEEDRO C[C@H](NC(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1)C(=O)N1CCCC1 ZINC000329612973 553976595 /nfs/dbraw/zinc/97/65/95/553976595.db2.gz OQZNIJATQNVTBO-DOTOQJQBSA-N 1 0 350.507 2.298 20 30 FEEDRO CS[C@H]1CN(CC(=O)N(C)C2(C#N)CCCCC2)C[C@H]1[NH+]1CCCC1 ZINC000329617185 553977018 /nfs/dbraw/zinc/97/70/18/553977018.db2.gz QBISQLOKYYXHKF-SJORKVTESA-N 1 0 364.559 2.183 20 30 FEEDRO N#Cc1c(NC(=O)CC[N@H+]2CCSC[C@@H]2CO)sc2c1CCC2 ZINC000329621797 553978373 /nfs/dbraw/zinc/97/83/73/553978373.db2.gz FQNRYUAXSLTMAF-NSHDSACASA-N 1 0 351.497 2.496 20 30 FEEDRO CC[C@@H](C)[NH2+][C@H](CNC(=O)C(=O)Nc1cccc(C#N)c1)c1ccco1 ZINC000506956158 561712531 /nfs/dbraw/zinc/71/25/31/561712531.db2.gz VKPYZNJMIYSURD-CZUORRHYSA-N 1 0 354.410 2.335 20 30 FEEDRO CC[C@@H](C)[NH2+][C@H](CNC(=O)C(=O)Nc1ccc(C#N)cc1F)c1ccco1 ZINC000506953247 561712645 /nfs/dbraw/zinc/71/26/45/561712645.db2.gz JDFJIOWNJQKFJA-MLGOLLRUSA-N 1 0 372.400 2.474 20 30 FEEDRO C[C@@H]1C[NH+](CCC2CCN(C(=O)N[C@H]3CCCOC3)CC2)C[C@@H](C)O1 ZINC000329691846 553990050 /nfs/dbraw/zinc/99/00/50/553990050.db2.gz CAHCCCMQDPSTNZ-NUJGCVRESA-N 1 0 353.507 2.291 20 30 FEEDRO CN1CCc2ccc(C(=O)Nc3ccc(N4CC[NH+](C)CC4)cn3)cc21 ZINC000329691893 553990094 /nfs/dbraw/zinc/99/00/94/553990094.db2.gz WLMORGKZFDVZMQ-UHFFFAOYSA-N 1 0 351.454 2.462 20 30 FEEDRO C[C@@H]1C[C@@H](NC(=O)Nc2ncn(C(C)(C)C)n2)C[N@@H+]1Cc1ccccc1 ZINC000329720540 553995005 /nfs/dbraw/zinc/99/50/05/553995005.db2.gz BRKUBUZEQOODPD-GDBMZVCRSA-N 1 0 356.474 3.022 20 30 FEEDRO C[C@H](CNC(=O)Nc1ncn(C(C)(C)C)n1)[N@@H+]1CCc2ccccc2C1 ZINC000329764918 554001762 /nfs/dbraw/zinc/00/17/62/554001762.db2.gz WJAUJZIDNRUEJS-CQSZACIVSA-N 1 0 356.474 2.806 20 30 FEEDRO Cc1ccc(N2CCC[C@H](NC(=O)N(C)[C@H](C)C3CC[NH+](C)CC3)C2)nn1 ZINC000329781560 554005025 /nfs/dbraw/zinc/00/50/25/554005025.db2.gz NIDKGYAZZYOWPR-AEFFLSMTSA-N 1 0 374.533 2.330 20 30 FEEDRO CCO[C@@H]1C[C@H](NC(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)[C@@]12CCCO2 ZINC000329790441 554007138 /nfs/dbraw/zinc/00/71/38/554007138.db2.gz TVYNXQIDVYQTRZ-GNBUJSLZSA-N 1 0 365.518 2.291 20 30 FEEDRO C[C@@H]1C[C@H](NC(=O)N2CCN(c3nc4ccccc4o3)CC2)CC[N@@H+]1C ZINC000329794527 554007349 /nfs/dbraw/zinc/00/73/49/554007349.db2.gz CCCMAFXMPSXEHJ-HUUCEWRRSA-N 1 0 357.458 2.347 20 30 FEEDRO CCC1(CNC(=O)N2CCC(C[NH+]3CCOCC3)CC2)CCOCC1 ZINC000329802274 554008658 /nfs/dbraw/zinc/00/86/58/554008658.db2.gz KFRLXLBYXJNLPK-UHFFFAOYSA-N 1 0 353.507 2.151 20 30 FEEDRO CC1(C)NC(=O)N(c2cccc(NC(=O)N3CC[N@@H+]4CCC[C@@H]4C3)c2)C1=O ZINC000329822851 554012834 /nfs/dbraw/zinc/01/28/34/554012834.db2.gz QDONAPRVQZPKOH-OAHLLOKOSA-N 1 0 371.441 2.051 20 30 FEEDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1ccccc1 ZINC000329890159 554025201 /nfs/dbraw/zinc/02/52/01/554025201.db2.gz FUCUMLBGTSEHBM-SKSLQVBQSA-N 1 0 357.454 2.024 20 30 FEEDRO C[C@H](CNC(=O)N1C[C@]2(CCOC2)OC(C)(C)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000329912131 554029675 /nfs/dbraw/zinc/02/96/75/554029675.db2.gz BAIWPEBADDZNGW-MDZRGWNJSA-N 1 0 353.507 2.291 20 30 FEEDRO C[C@@H]1C[C@H](NC(=O)CC[S@@](=O)c2ccc3c(c2)OCCO3)CC[N@@H+]1C ZINC000329918656 554031480 /nfs/dbraw/zinc/03/14/80/554031480.db2.gz ZWZZALJPDTYFCT-FPIQFJIESA-N 1 0 366.483 2.395 20 30 FEEDRO CC1CC[NH+](Cc2cccc(CNC(=O)N[C@@H]3CC(=O)N(C)C3)c2)CC1 ZINC000329943451 554036213 /nfs/dbraw/zinc/03/62/13/554036213.db2.gz WDHNEBMTNBRXFX-GOSISDBHSA-N 1 0 358.486 2.153 20 30 FEEDRO COc1ccc(Cl)cc1NC(=O)[C@H](C)N1C[C@@H]2[C@H](C1)OCCN2C ZINC000329968640 554040898 /nfs/dbraw/zinc/04/08/98/554040898.db2.gz UAKZJZFZEAADKX-PEYYIBSZSA-N 1 0 353.850 2.340 20 30 FEEDRO CCN1CCN(C(=O)C(=O)Nc2ccccc2SC[C@H](C)C#N)[C@@H](C)C1 ZINC000507380558 561727116 /nfs/dbraw/zinc/72/71/16/561727116.db2.gz LBMAXUOKNLYSQJ-CABCVRRESA-N 1 0 374.510 2.429 20 30 FEEDRO CCN1CCN(C(=O)NC2CC[NH+](C(C)(C)C)CC2)C[C@H]1c1ncc[nH]1 ZINC000329996537 554046231 /nfs/dbraw/zinc/04/62/31/554046231.db2.gz PBSHZEROGCKQRS-INIZCTEOSA-N 1 0 362.522 2.265 20 30 FEEDRO C[C@H](O)C[N@@H+]1CCN(C(=O)NC[C@@H]2CCC3(CCCCC3)O2)C[C@@H]1C ZINC000330048903 554055188 /nfs/dbraw/zinc/05/51/88/554055188.db2.gz KJJFKSNBBGMDSU-ULQDDVLXSA-N 1 0 353.507 2.169 20 30 FEEDRO C[C@@H]1CN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C[C@]2(CCCOC2)O1 ZINC000330104094 554065140 /nfs/dbraw/zinc/06/51/40/554065140.db2.gz HIVNXQUXIAZSEA-YNWASFESSA-N 1 0 351.491 2.186 20 30 FEEDRO CC(=O)N1CCN(C(=O)NC2CC[NH+](C3CCCCC3)CC2)[C@H](C)C1 ZINC000330114331 554067383 /nfs/dbraw/zinc/06/73/83/554067383.db2.gz STOPAGJCLIVQDF-OAHLLOKOSA-N 1 0 350.507 2.250 20 30 FEEDRO O=C(Nc1cccc(C[NH+]2CCC(O)CC2)c1)[C@@H]1OC[C@H]2COCC[C@H]21 ZINC000330155066 554075113 /nfs/dbraw/zinc/07/51/13/554075113.db2.gz YBQFRXHGEIZRNE-ATZDWAIDSA-N 1 0 360.454 2.283 20 30 FEEDRO Cc1cc([C@@H]2CCCN2C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)on1 ZINC000330212077 554086260 /nfs/dbraw/zinc/08/62/60/554086260.db2.gz DKMLGUFVHNLOHQ-IXDOHACOSA-N 1 0 362.474 2.412 20 30 FEEDRO O=C(NCC1([NH+]2CCCC2)CCOCC1)N[C@H]1CCOC2(CCC2)C1 ZINC000330218735 554087414 /nfs/dbraw/zinc/08/74/14/554087414.db2.gz OWWAOLSFFOHQIG-INIZCTEOSA-N 1 0 351.491 2.237 20 30 FEEDRO C[C@H](CNC(=O)N[C@H]1CCOC2(CCOCC2)C1)[NH+]1CCC(C)CC1 ZINC000330223145 554087998 /nfs/dbraw/zinc/08/79/98/554087998.db2.gz MXTVXLIDBFKUFL-SJORKVTESA-N 1 0 353.507 2.339 20 30 FEEDRO Cc1ccc(NC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)cc1N1CCNC1=O ZINC000330223059 554087965 /nfs/dbraw/zinc/08/79/65/554087965.db2.gz SDQQKHOPEFKYPU-INIZCTEOSA-N 1 0 355.442 2.221 20 30 FEEDRO CCC[N@@H+]1CCC[C@@H]1C(=O)NC1CCN(c2nccn(CC)c2=O)CC1 ZINC000330223998 554088168 /nfs/dbraw/zinc/08/81/68/554088168.db2.gz SNHVKOLMUKSIQF-MRXNPFEDSA-N 1 0 361.490 2.063 20 30 FEEDRO O=C(N[C@@H]1CCOC2(CCOCC2)C1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000330225255 554088826 /nfs/dbraw/zinc/08/88/26/554088826.db2.gz OCIADSDBAUKRNE-IAGOWNOFSA-N 1 0 351.491 2.189 20 30 FEEDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)N[C@@H]3CCOC4(CCOCC4)C3)CC[C@H]21 ZINC000330238187 554091111 /nfs/dbraw/zinc/09/11/11/554091111.db2.gz VCQOEKUFZKXAJK-BRWVUGGUSA-N 1 0 351.491 2.045 20 30 FEEDRO C[C@H](CNC(=O)N[C@@H]1CCOC2(CCOCC2)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000330242643 554091406 /nfs/dbraw/zinc/09/14/06/554091406.db2.gz GFVGSPGISKZPAB-BRWVUGGUSA-N 1 0 353.507 2.339 20 30 FEEDRO C[C@H](CNC(=O)N[C@H]1CCOC2(CCOCC2)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000330242644 554091564 /nfs/dbraw/zinc/09/15/64/554091564.db2.gz GFVGSPGISKZPAB-ZACQAIPSSA-N 1 0 353.507 2.339 20 30 FEEDRO C[NH+]1CCC(n2ccc(NC(=O)N[C@H]3CCc4c3cccc4O)n2)CC1 ZINC000330260286 554094654 /nfs/dbraw/zinc/09/46/54/554094654.db2.gz OEHVWDBJDJNPIK-INIZCTEOSA-N 1 0 355.442 2.869 20 30 FEEDRO C[NH+](C)CC1(CNC(=O)N2CCS(=O)(=O)[C@@H]3CCCC[C@@H]32)CCCC1 ZINC000330261151 554095166 /nfs/dbraw/zinc/09/51/66/554095166.db2.gz UAUDEXNMDSMCJF-JKSUJKDBSA-N 1 0 371.547 2.064 20 30 FEEDRO CNC(=O)C1CCC(NC(=O)N2CC[N@@H+](C3CCOCC3)C[C@H]2C)CC1 ZINC000330270138 554096345 /nfs/dbraw/zinc/09/63/45/554096345.db2.gz SXOIQZGSZQQERD-QQFBHYJXSA-N 1 0 366.506 2.231 20 30 FEEDRO CN(CC1(O)CCCCCC1)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000330277138 554097700 /nfs/dbraw/zinc/09/77/00/554097700.db2.gz NVSYZPCWXSWWHV-MSOLQXFVSA-N 1 0 367.534 2.295 20 30 FEEDRO O=C(NC1CC[NH+](Cc2ccncc2)CC1)c1c[nH]nc1[C@H]1CCOC1 ZINC000330347110 554109478 /nfs/dbraw/zinc/10/94/78/554109478.db2.gz HJVDCLIKMFZIDW-HNNXBMFYSA-N 1 0 355.442 2.278 20 30 FEEDRO CCC[NH+]1CCC(NC(=O)[C@@H]2CC(=O)N(C)[C@H]2c2cnn(C)c2C)CC1 ZINC000330359567 554111736 /nfs/dbraw/zinc/11/17/36/554111736.db2.gz WENYYDITJXPSCJ-CRAIPNDOSA-N 1 0 361.490 2.079 20 30 FEEDRO CCN(C[C@H](C)C#N)S(=O)(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000330385920 554114315 /nfs/dbraw/zinc/11/43/15/554114315.db2.gz LSLXXITWTRUDBM-KZNAEPCWSA-N 1 0 370.563 2.299 20 30 FEEDRO C[C@@H](CC#N)N(C)S(=O)(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000330413742 554118325 /nfs/dbraw/zinc/11/83/25/554118325.db2.gz MPAHSQMBIIWDKO-DLBZAZTESA-N 1 0 370.563 2.442 20 30 FEEDRO C[C@H](CC#N)N(C)S(=O)(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000330427863 554120371 /nfs/dbraw/zinc/12/03/71/554120371.db2.gz UDMYARSDLWCAEF-JFIYKMOQSA-N 1 0 364.515 2.108 20 30 FEEDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N2CCC[C@H](CNC(N)=O)C2)C1 ZINC000330460012 554124584 /nfs/dbraw/zinc/12/45/84/554124584.db2.gz JPVWCWVSAJXGLC-OWCLPIDISA-N 1 0 353.511 2.063 20 30 FEEDRO CCC(=O)Nc1ccc(C)c(NC(=O)N2CC[N@H+](C[C@@H](C)O)C[C@@H]2C)c1 ZINC000330518144 554132712 /nfs/dbraw/zinc/13/27/12/554132712.db2.gz GRZOLHMIJTWUPF-LSDHHAIUSA-N 1 0 362.474 2.276 20 30 FEEDRO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCC[C@H](c2nc(C(F)(F)F)cn2C)C1 ZINC000330550279 554136890 /nfs/dbraw/zinc/13/68/90/554136890.db2.gz WXHFZCMTODBMKM-OLZOCXBDSA-N 1 0 371.407 2.379 20 30 FEEDRO COc1cc(NC(=O)N2CC[N@H+](C[C@@H](C)O)C[C@@H]2C)ccc1OC(C)C ZINC000330580428 554140833 /nfs/dbraw/zinc/14/08/33/554140833.db2.gz TYBBGODZWAGODW-LSDHHAIUSA-N 1 0 365.474 2.415 20 30 FEEDRO CO[C@H](c1ccccc1F)[C@H](C)NC(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000330664869 554153243 /nfs/dbraw/zinc/15/32/43/554153243.db2.gz GPIOZCHTWYUIGQ-YOEHRIQHSA-N 1 0 367.465 2.204 20 30 FEEDRO C[NH+](C)CCC1CCN(S(=O)(=O)Cc2cc(C#N)ccc2F)CC1 ZINC000330822690 554175611 /nfs/dbraw/zinc/17/56/11/554175611.db2.gz DOOSLJVNTDCESM-UHFFFAOYSA-N 1 0 353.463 2.191 20 30 FEEDRO CC[C@H](C)[C@H](NC(=O)N1CCCC1)C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000330858046 554179757 /nfs/dbraw/zinc/17/97/57/554179757.db2.gz ZYUIEMZATJLMSN-RDJZCZTQSA-N 1 0 352.523 2.211 20 30 FEEDRO CC(=O)Nc1ccc(Cl)c(NC(=O)N2CCC([N@H+](C)CCO)CC2)c1 ZINC000330859622 554179842 /nfs/dbraw/zinc/17/98/42/554179842.db2.gz KFTPZGZMDLBFIN-UHFFFAOYSA-N 1 0 368.865 2.232 20 30 FEEDRO CC[C@@H]1CN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC[N@@H+]1C[C@H](C)O ZINC000330986592 554197396 /nfs/dbraw/zinc/19/73/96/554197396.db2.gz RAWWBYWYOQILEV-SMDDNHRTSA-N 1 0 354.382 2.056 20 30 FEEDRO CNS(=O)(=O)c1ccccc1N1CC[NH+](CCCC(C)(C)C#N)CC1 ZINC000331003093 554199423 /nfs/dbraw/zinc/19/94/23/554199423.db2.gz OPWROLZPKIGYGK-UHFFFAOYSA-N 1 0 364.515 2.047 20 30 FEEDRO CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)N[C@@H]2CCCSC2)CC1 ZINC000331188628 554228071 /nfs/dbraw/zinc/22/80/71/554228071.db2.gz ZLDQSLPQAAZVHF-OAHLLOKOSA-N 1 0 370.563 2.012 20 30 FEEDRO Cc1nc(C)c(C(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)o1 ZINC000331193214 554229055 /nfs/dbraw/zinc/22/90/55/554229055.db2.gz RVYPNFKLHPLAKN-UHFFFAOYSA-N 1 0 350.463 2.223 20 30 FEEDRO COc1cc(NC(=O)N2CC[C@@H](C[NH+](C)C)C2)c(OC)c(C)c1OC ZINC000331233432 554234091 /nfs/dbraw/zinc/23/40/91/554234091.db2.gz JJNQZRDYFSKFMH-ZDUSSCGKSA-N 1 0 351.447 2.450 20 30 FEEDRO COC[C@@H]1CN(C(=O)NCc2ccc(C[NH+](C)C)c(F)c2)C[C@H](C)O1 ZINC000331258096 554237599 /nfs/dbraw/zinc/23/75/99/554237599.db2.gz DXWZERIBTMLFRD-BBRMVZONSA-N 1 0 353.438 2.037 20 30 FEEDRO CNC(=O)c1cccc(NC(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)c1C ZINC000331291844 554242141 /nfs/dbraw/zinc/24/21/41/554242141.db2.gz KZOWNJPNCMTMIL-CYBMUJFWSA-N 1 0 362.474 2.252 20 30 FEEDRO C=CCn1c(CCc2ccco2)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000508808460 561773627 /nfs/dbraw/zinc/77/36/27/561773627.db2.gz HDVNAEKKANPSQB-KRWDZBQOSA-N 1 0 371.485 2.001 20 30 FEEDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000331430490 554263361 /nfs/dbraw/zinc/26/33/61/554263361.db2.gz CDEOQBYCEJZEMU-ZUZCIYMTSA-N 1 0 373.400 2.338 20 30 FEEDRO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)C1 ZINC000331614002 554295286 /nfs/dbraw/zinc/29/52/86/554295286.db2.gz KKDLTLQVHFYTLB-AYOQOUSVSA-N 1 0 356.470 2.370 20 30 FEEDRO C=CCSCCNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000509187372 561788873 /nfs/dbraw/zinc/78/88/73/561788873.db2.gz UUBRRLDMLCXODY-ZWKOTPCHSA-N 1 0 363.527 2.088 20 30 FEEDRO C[C@@H]1CCCC[N@@H+]1CCC(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 ZINC000332045235 554368900 /nfs/dbraw/zinc/36/89/00/554368900.db2.gz VOPOAMNASZCGHG-QUCCMNQESA-N 1 0 354.498 2.487 20 30 FEEDRO C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)C1CCN(c2ccc(C#N)cc2F)CC1 ZINC000332339583 554428152 /nfs/dbraw/zinc/42/81/52/554428152.db2.gz DRTHUUDZRHBDPM-GJZGRUSLSA-N 1 0 358.461 2.465 20 30 FEEDRO CC(C)[C@H]1CCc2c(sc(NC(=O)C(=O)N3CCC([NH3+])CC3)c2C#N)C1 ZINC000332383027 554435651 /nfs/dbraw/zinc/43/56/51/554435651.db2.gz VMVBNWMUJJRXCB-LBPRGKRZSA-N 1 0 374.510 2.269 20 30 FEEDRO C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)Nc3cc(C#N)ccc3Cl)CC[C@H]21 ZINC000332521474 554461805 /nfs/dbraw/zinc/46/18/05/554461805.db2.gz ZHIQCFYRVCGSCF-XJKSGUPXSA-N 1 0 360.845 2.093 20 30 FEEDRO Cc1ccccc1[C@H]1CC[N@@H+](CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)C1 ZINC000332669023 554493906 /nfs/dbraw/zinc/49/39/06/554493906.db2.gz MPTHQFGRRFPGDP-PZJWPPBQSA-N 1 0 368.525 2.477 20 30 FEEDRO Cc1ccccc1[C@@H]1CC[N@@H+](CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)C1 ZINC000332669027 554493973 /nfs/dbraw/zinc/49/39/73/554493973.db2.gz MPTHQFGRRFPGDP-TZIWHRDSSA-N 1 0 368.525 2.477 20 30 FEEDRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)[C@]2(C#N)CC23CCCC3)CC1 ZINC000333241140 554593274 /nfs/dbraw/zinc/59/32/74/554593274.db2.gz WKSHMZYHBLREQG-DBXWQHBBSA-N 1 0 358.530 2.477 20 30 FEEDRO N#Cc1cc(F)ccc1CS(=O)(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000333413208 554610761 /nfs/dbraw/zinc/61/07/61/554610761.db2.gz KMJDLQCSTQCJPR-MRXNPFEDSA-N 1 0 351.447 2.134 20 30 FEEDRO N#Cc1cc(Br)cnc1N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000333639632 554629919 /nfs/dbraw/zinc/62/99/19/554629919.db2.gz HXRNLGPQJGKSPR-LSDHHAIUSA-N 1 0 365.275 2.438 20 30 FEEDRO C=CCOC[C@@H]1NC(=O)N(C[C@H](c2ccc(C)cc2)[NH+]2CCCC2)C1=O ZINC000348427303 554684739 /nfs/dbraw/zinc/68/47/39/554684739.db2.gz SPBOXNOHKCSVSE-ZWKOTPCHSA-N 1 0 357.454 2.255 20 30 FEEDRO C=CCOC[C@H]1NC(=O)N(Cc2ccc(C[NH+]3CCCCC3)cc2)C1=O ZINC000348450145 554685306 /nfs/dbraw/zinc/68/53/06/554685306.db2.gz UVVSZRZDGPUNMJ-GOSISDBHSA-N 1 0 357.454 2.296 20 30 FEEDRO C=CCOC[C@@H]1NC(=O)N(C[C@@H]2CCC[N@H+](Cc3cccs3)C2)C1=O ZINC000348513880 554687558 /nfs/dbraw/zinc/68/75/58/554687558.db2.gz ONAOBSNRQIBHCF-ZBFHGGJFSA-N 1 0 363.483 2.083 20 30 FEEDRO C=CCNC(=O)Cc1noc(-c2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)n1 ZINC000350727209 554810099 /nfs/dbraw/zinc/81/00/99/554810099.db2.gz SVTOWGUZUOFPPE-GASCZTMLSA-N 1 0 370.453 2.191 20 30 FEEDRO N#CCCN(CCC#N)C(=O)C[N@@H+]1CCC[C@H](COc2ccccc2)C1 ZINC000361503389 554922179 /nfs/dbraw/zinc/92/21/79/554922179.db2.gz MKYPZVQZFVCPNH-SFHVURJKSA-N 1 0 354.454 2.433 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)[C@@H]2CC(=O)N(c3ccc(F)c(C)c3)C2)CC1 ZINC000361750110 554932833 /nfs/dbraw/zinc/93/28/33/554932833.db2.gz GZXAIIWTLHXQPG-MRXNPFEDSA-N 1 0 371.456 2.091 20 30 FEEDRO C[C@@H]1C[NH+](CCCNC(=O)[C@]2(C#N)CCc3ccccc3C2)C[C@@H](C)O1 ZINC000362020216 554945151 /nfs/dbraw/zinc/94/51/51/554945151.db2.gz GVRHLDADCLXSKD-CBGDNZLLSA-N 1 0 355.482 2.301 20 30 FEEDRO N#Cc1ccsc1NC(=O)CC[N@@H+]1CC[C@H](C(F)(F)F)[C@H](CO)C1 ZINC000511624339 561874972 /nfs/dbraw/zinc/87/49/72/561874972.db2.gz CEBXSLYLQBHBEV-RYUDHWBXSA-N 1 0 361.389 2.441 20 30 FEEDRO C[C@@H]1C[NH+](CC2CCN(C(=O)COc3ccc(C#N)cc3)CC2)C[C@@H](C)O1 ZINC000362431165 554971874 /nfs/dbraw/zinc/97/18/74/554971874.db2.gz SRGPXNDVGZADKE-IAGOWNOFSA-N 1 0 371.481 2.285 20 30 FEEDRO CN(c1ccc(Cl)c(C#N)n1)C1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000362862657 554994111 /nfs/dbraw/zinc/99/41/11/554994111.db2.gz RSEPWEVHCFEAQH-UHFFFAOYSA-N 1 0 361.877 2.130 20 30 FEEDRO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@H+]2[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000511669658 561877526 /nfs/dbraw/zinc/87/75/26/561877526.db2.gz YLBOQLJFDSEZJI-DISKZWMNSA-N 1 0 351.450 2.409 20 30 FEEDRO CC[C@@H](CNC(=O)[C@H]1CCCN(c2nc(C)ccc2C#N)C1)[NH+]1CCCC1 ZINC000363041667 555016488 /nfs/dbraw/zinc/01/64/88/555016488.db2.gz WTNDDZVOABTUDY-OALUTQOASA-N 1 0 369.513 2.469 20 30 FEEDRO Cn1ncc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)c1C#N ZINC000511753223 561879702 /nfs/dbraw/zinc/87/97/02/561879702.db2.gz CHXIVTRNPGJQRQ-SFHVURJKSA-N 1 0 351.454 2.322 20 30 FEEDRO N#Cc1c(Cl)cccc1S(=O)(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000363260108 555066128 /nfs/dbraw/zinc/06/61/28/555066128.db2.gz STZLHQJOQBKDDM-JGGQBBKZSA-N 1 0 365.886 2.316 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2CC[C@@H]([NH+]3CCCC3)C2)c(C(F)(F)F)c1 ZINC000363458728 555111304 /nfs/dbraw/zinc/11/13/04/555111304.db2.gz AMEVVMSUMKZQLB-CYBMUJFWSA-N 1 0 373.400 2.436 20 30 FEEDRO CCC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1CC(=O)NC1(C#N)CCCCC1 ZINC000363473443 555114745 /nfs/dbraw/zinc/11/47/45/555114745.db2.gz BKTOSQJHMDNWMN-DLBZAZTESA-N 1 0 360.502 2.194 20 30 FEEDRO CC[NH+](CC)[C@@H](C)CNC(=O)[C@@H]1CCCN(c2nc(C)ccc2C#N)C1 ZINC000363587952 555142550 /nfs/dbraw/zinc/14/25/50/555142550.db2.gz FKLMMNPFIGIEAV-FUHWJXTLSA-N 1 0 357.502 2.325 20 30 FEEDRO C=CCN(C(=O)NCC(C)(C)C(=O)NC)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000363808129 555190438 /nfs/dbraw/zinc/19/04/38/555190438.db2.gz AJORQLHHOLERAB-GOSISDBHSA-N 1 0 372.513 2.231 20 30 FEEDRO N#Cc1cccc(NC(=O)CN2CCC[C@@H](Cc3nnc4ccccn43)C2)c1 ZINC000363824572 555193770 /nfs/dbraw/zinc/19/37/70/555193770.db2.gz QXFCECUQZWHMHB-KRWDZBQOSA-N 1 0 374.448 2.494 20 30 FEEDRO CN(CCC#N)C(=O)CC[NH+]1CCC(c2nccc(C(F)(F)F)n2)CC1 ZINC000363923129 555214933 /nfs/dbraw/zinc/21/49/33/555214933.db2.gz JXWKADFASAQMGB-UHFFFAOYSA-N 1 0 369.391 2.437 20 30 FEEDRO COc1cc(/C=C/C(=O)N2CC[C@@H](c3nccn3C)C2)ccc1OCC#N ZINC000364059734 555242576 /nfs/dbraw/zinc/24/25/76/555242576.db2.gz SQJUSAQCCJYQCK-MQDFFIGUSA-N 1 0 366.421 2.360 20 30 FEEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000364161501 555260768 /nfs/dbraw/zinc/26/07/68/555260768.db2.gz MNRPXKVSJFCGBR-PKOBYXMFSA-N 1 0 359.470 2.256 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C2CCN(C(=O)N3CCCC3)CC2)CC1 ZINC000364740024 555390666 /nfs/dbraw/zinc/39/06/66/555390666.db2.gz XERHBTKMMGDEEY-UHFFFAOYSA-N 1 0 362.518 2.071 20 30 FEEDRO CC(C)C[C@@H](CNC(=O)[C@H]1CCC(=O)N1Cc1cccc(C#N)c1)[NH+](C)C ZINC000364766977 555397131 /nfs/dbraw/zinc/39/71/31/555397131.db2.gz FOCRXNOPYPNVCE-RBUKOAKNSA-N 1 0 370.497 2.142 20 30 FEEDRO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCC[C@@]2(CNC(=O)O2)C1 ZINC000364794727 555405098 /nfs/dbraw/zinc/40/50/98/555405098.db2.gz WYBNFFCGYYOAHO-APPDUMDISA-N 1 0 362.817 2.113 20 30 FEEDRO C=CCOc1ccc(/C=C/C(=O)N2CCC[N@@H+]([C@H](C)CO)CC2)cc1OC ZINC000364930018 555440808 /nfs/dbraw/zinc/44/08/08/555440808.db2.gz CUWIFKWKRWEGLI-UGAXZCSASA-N 1 0 374.481 2.188 20 30 FEEDRO Cc1nc(C#N)c(N2CCC(C(=O)N3CCC[C@@H]([NH+]4CCCC4)C3)CC2)o1 ZINC000365026150 555468223 /nfs/dbraw/zinc/46/82/23/555468223.db2.gz KDBRIYDPGFSOEL-QGZVFWFLSA-N 1 0 371.485 2.158 20 30 FEEDRO CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1[C@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000365393207 555562219 /nfs/dbraw/zinc/56/22/19/555562219.db2.gz JGRMVEBWTFKBLD-NIKGAXFTSA-N 1 0 354.454 2.361 20 30 FEEDRO CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1[C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000365393201 555562300 /nfs/dbraw/zinc/56/23/00/555562300.db2.gz JGRMVEBWTFKBLD-GDIGMMSISA-N 1 0 354.454 2.361 20 30 FEEDRO Cc1nn(C)c(N2CCC[N@H+](C)CC2)c1CNc1c(C#N)cccc1C#N ZINC000365460917 555582042 /nfs/dbraw/zinc/58/20/42/555582042.db2.gz NEEQAQPLIUIGIZ-UHFFFAOYSA-N 1 0 363.469 2.226 20 30 FEEDRO N#Cc1c(F)ccc(C[NH2+][C@@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)c1Cl ZINC000365482052 555587163 /nfs/dbraw/zinc/58/71/63/555587163.db2.gz UHGHVBWJUABDGW-MLGOLLRUSA-N 1 0 372.849 2.177 20 30 FEEDRO C[N@@H+]1CC[C@@H](CNC(=O)N=c2ccn(CCC#N)[nH]2)[C@@H]1c1cccs1 ZINC000365645501 555630970 /nfs/dbraw/zinc/63/09/70/555630970.db2.gz CIVLKJOABPGLJI-XJKSGUPXSA-N 1 0 358.471 2.673 20 30 FEEDRO N#Cc1ccccc1N1CCC[C@@H](NC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)C1 ZINC000365712442 555648321 /nfs/dbraw/zinc/64/83/21/555648321.db2.gz OROKQXSTWRSTRF-MOPGFXCFSA-N 1 0 365.481 2.183 20 30 FEEDRO C[N@H+](CCC(=O)Nc1sccc1C#N)C1CCN(c2ncccn2)CC1 ZINC000365812764 555673173 /nfs/dbraw/zinc/67/31/73/555673173.db2.gz APNNAWXXOXPMSW-UHFFFAOYSA-N 1 0 370.482 2.339 20 30 FEEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cn(-c2ccccc2)nn1 ZINC000513470219 561939471 /nfs/dbraw/zinc/93/94/71/561939471.db2.gz DKJZFKWBVOXXDD-UHFFFAOYSA-N 1 0 374.448 2.343 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC(Oc3cnccn3)CC2)CC1 ZINC000365994312 555721314 /nfs/dbraw/zinc/72/13/14/555721314.db2.gz IWUSANGCJXQJDC-UHFFFAOYSA-N 1 0 359.474 2.070 20 30 FEEDRO Cc1c(C#N)cccc1C(=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000513806372 561950612 /nfs/dbraw/zinc/95/06/12/561950612.db2.gz IABQVPCZXJGGKC-CTNGQTDRSA-N 1 0 363.461 2.480 20 30 FEEDRO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)OC)CC1 ZINC000366304447 555806768 /nfs/dbraw/zinc/80/67/68/555806768.db2.gz CNVWYLKCCMRVIR-JQHSSLGASA-N 1 0 366.502 2.090 20 30 FEEDRO C[C@@H](NC(=O)[C@@H](C)[NH+]1CCC(n2cnc(C#N)n2)CC1)c1ccc(F)cc1 ZINC000366392784 555831934 /nfs/dbraw/zinc/83/19/34/555831934.db2.gz PVXFBUWRKBLCRS-ZIAGYGMSSA-N 1 0 370.432 2.192 20 30 FEEDRO CN(C(=O)Cc1cccc(OCC#N)c1)C1CC[NH+](C2CCOCC2)CC1 ZINC000366869907 555955734 /nfs/dbraw/zinc/95/57/34/555955734.db2.gz HJDXHDDNXFOIRJ-UHFFFAOYSA-N 1 0 371.481 2.233 20 30 FEEDRO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[NH2+][C@@H]2CCC(=O)NC23CCC3)cc1 ZINC000367251481 556004092 /nfs/dbraw/zinc/00/40/92/556004092.db2.gz GDJVAAVPDLYHTB-SJLPKXTDSA-N 1 0 368.481 2.421 20 30 FEEDRO CCc1nnc(N2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)c(C#N)c1CC ZINC000367460624 556056401 /nfs/dbraw/zinc/05/64/01/556056401.db2.gz FZEOHXCCQNLQOU-OAHLLOKOSA-N 1 0 356.518 2.078 20 30 FEEDRO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCC2(C[C@@H]2C(=O)N2CCCC2)CC1 ZINC000367562159 556083575 /nfs/dbraw/zinc/08/35/75/556083575.db2.gz GEZZFKZKKKMBHQ-ZWKOTPCHSA-N 1 0 359.514 2.300 20 30 FEEDRO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)c1c[nH]c(C#N)c1 ZINC000367766501 556133272 /nfs/dbraw/zinc/13/32/72/556133272.db2.gz BBJORQXHJXMNHH-UHFFFAOYSA-N 1 0 357.502 2.155 20 30 FEEDRO CCOC(=O)c1ccc(C[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)cc1 ZINC000515035949 561992970 /nfs/dbraw/zinc/99/29/70/561992970.db2.gz ZEVNUZBSUYPYIZ-UHFFFAOYSA-N 1 0 372.446 2.298 20 30 FEEDRO N#Cc1ccc(N2CCN(C(=O)NCC[C@H]3CC[NH2+]C3)CC2)c(Cl)c1 ZINC000515187186 561999887 /nfs/dbraw/zinc/99/98/87/561999887.db2.gz IEJMWMWXWQVOOH-CQSZACIVSA-N 1 0 361.877 2.043 20 30 FEEDRO C[N@@H+]1CC[C@H]2CCN(C(=O)CCC(=O)N(CCC#N)c3ccccc3)C[C@@H]21 ZINC000368588663 556354754 /nfs/dbraw/zinc/35/47/54/556354754.db2.gz GTYOYNBGAGDOMC-HKUYNNGSSA-N 1 0 368.481 2.266 20 30 FEEDRO C#CC[C@@H](Cc1ccccc1)NC(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000368615652 556363703 /nfs/dbraw/zinc/36/37/03/556363703.db2.gz AVWCYBVIDUAOSN-VQTJNVASSA-N 1 0 368.525 2.089 20 30 FEEDRO CC(=O)N1CCC[C@H]1[C@H]1CCC[N@@H+]1CCC(=O)Nc1sccc1C#N ZINC000368664015 556378602 /nfs/dbraw/zinc/37/86/02/556378602.db2.gz SYGSGPSIMJEJCF-CVEARBPZSA-N 1 0 360.483 2.424 20 30 FEEDRO Cc1nc(C(=O)NCC2([NH+]3CCN(C)CC3)CCCCCC2)ccc1C#N ZINC000368748399 556404329 /nfs/dbraw/zinc/40/43/29/556404329.db2.gz XYKOPUHQAJGZBY-UHFFFAOYSA-N 1 0 369.513 2.332 20 30 FEEDRO Cc1cc(NC(=O)N2CC[C@H]3CC[N@@H+](C)C[C@H]32)nn1-c1cccc(C#N)c1 ZINC000368800884 556416340 /nfs/dbraw/zinc/41/63/40/556416340.db2.gz SWNHKEFTTJSULB-SJLPKXTDSA-N 1 0 364.453 2.610 20 30 FEEDRO N#Cc1ccccc1OCC(=O)NC[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000369160725 556521696 /nfs/dbraw/zinc/52/16/96/556521696.db2.gz KLNLJRNOJNXFRB-GOSISDBHSA-N 1 0 364.449 2.360 20 30 FEEDRO N#C[C@H]1CN(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)CCN1C1CC1 ZINC000369219258 556539386 /nfs/dbraw/zinc/53/93/86/556539386.db2.gz NHSPHUHZUXTWPY-IRXDYDNUSA-N 1 0 373.526 2.267 20 30 FEEDRO Cc1nc(C)n(C[C@@H]2CCCC[N@@H+]2C[C@@H](O)COc2ccc(C#N)cc2)n1 ZINC000369238862 556545777 /nfs/dbraw/zinc/54/57/77/556545777.db2.gz SPMLBZZCADYQRQ-RBUKOAKNSA-N 1 0 369.469 2.061 20 30 FEEDRO CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000369303630 556569258 /nfs/dbraw/zinc/56/92/58/556569258.db2.gz QSLJMLVEAQQROR-MRXNPFEDSA-N 1 0 371.485 2.140 20 30 FEEDRO CC1CCC(N(C(=O)C[NH+]2CCC(n3cnc(C#N)n3)CC2)C2CC2)CC1 ZINC000369389300 556588005 /nfs/dbraw/zinc/58/80/05/556588005.db2.gz NRBQCLFMBPOQRP-UHFFFAOYSA-N 1 0 370.501 2.356 20 30 FEEDRO Cn1cc([C@H]2[C@@H](CNC(=O)Nc3ccc(C#N)cc3)CCC[N@@H+]2C)cn1 ZINC000369421568 556596676 /nfs/dbraw/zinc/59/66/76/556596676.db2.gz ORHJPKDQRDXZDC-CRAIPNDOSA-N 1 0 352.442 2.496 20 30 FEEDRO CC(C)(C#N)c1ccc(C(=O)N2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)cc1 ZINC000369532802 556623241 /nfs/dbraw/zinc/62/32/41/556623241.db2.gz QFMNSBDSMZBFQA-GOSISDBHSA-N 1 0 368.481 2.042 20 30 FEEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(c2nc3c(cccc3F)[nH]2)CC1 ZINC000369544378 556627229 /nfs/dbraw/zinc/62/72/29/556627229.db2.gz UTXXIRJKKYDQAN-GFCCVEGCSA-N 1 0 373.432 2.282 20 30 FEEDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1CCC(=O)Nc1sccc1C#N ZINC000369675276 556665249 /nfs/dbraw/zinc/66/52/49/556665249.db2.gz FBOYDNSAXKWLEX-CQSZACIVSA-N 1 0 362.499 2.133 20 30 FEEDRO Cc1cc(=NC(=O)N[C@H]2c3ccccc3CC[C@@H]2[NH+](C)C)[nH]n1CCC#N ZINC000369851414 556712328 /nfs/dbraw/zinc/71/23/28/556712328.db2.gz JJNKSILXBCDSRT-HKUYNNGSSA-N 1 0 366.469 2.844 20 30 FEEDRO CC[N@H+](C)[C@@H](C(=O)N1CCC(n2cnc(C#N)n2)CC1)c1ccccc1 ZINC000370041563 556764992 /nfs/dbraw/zinc/76/49/92/556764992.db2.gz FVIUHMQTRUXLED-GOSISDBHSA-N 1 0 352.442 2.006 20 30 FEEDRO C=CCOc1ccccc1CNC(=O)N1CCC[C@H]1C[N@H+]1CCC[C@H]1CO ZINC000370304292 556835355 /nfs/dbraw/zinc/83/53/55/556835355.db2.gz XOXAOTTXJAZFQN-OALUTQOASA-N 1 0 373.497 2.382 20 30 FEEDRO C=CCn1c(C)cc(C(=O)CN2CCC[C@H]2C[N@@H+]2CCC[C@H]2CO)c1C ZINC000370355157 556848846 /nfs/dbraw/zinc/84/88/46/556848846.db2.gz LDRADMLDHJKOAE-OALUTQOASA-N 1 0 359.514 2.395 20 30 FEEDRO C[NH+](C)C[C@@H]1CN(C(=O)COc2ccc(C#N)cc2)c2ccccc2O1 ZINC000370503694 556892868 /nfs/dbraw/zinc/89/28/68/556892868.db2.gz WTQOQVMYFJCOMG-QGZVFWFLSA-N 1 0 351.406 2.293 20 30 FEEDRO CC(C)[N@@H+]1CCO[C@@H](C(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC000370601175 556918807 /nfs/dbraw/zinc/91/88/07/556918807.db2.gz FULUISCDOLTHDC-MRXNPFEDSA-N 1 0 354.372 2.282 20 30 FEEDRO N#CCCN(CCC#N)C(=O)C[N@H+]1CCCC[C@H]1[C@@H](O)c1ccccc1 ZINC000370774087 556964535 /nfs/dbraw/zinc/96/45/35/556964535.db2.gz NYKCXQDCNNFUOP-ICSRJNTNSA-N 1 0 354.454 2.230 20 30 FEEDRO C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCC([N@@H+]2CCOC[C@@H]2C)CC1 ZINC000517214125 562079824 /nfs/dbraw/zinc/07/98/24/562079824.db2.gz ZFFCYBABMWKHNW-JKSUJKDBSA-N 1 0 356.470 2.070 20 30 FEEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCCC12CC[NH+](C)CC2 ZINC000371360179 557160261 /nfs/dbraw/zinc/16/02/61/557160261.db2.gz CVIPVRCENPZJCU-UHFFFAOYSA-N 1 0 357.502 2.433 20 30 FEEDRO Cc1c([C@@H]2CCCN2CCS(=O)(=O)c2cccc(C#N)c2)cnn1C ZINC000371381537 557167333 /nfs/dbraw/zinc/16/73/33/557167333.db2.gz YVIHJNWQZMHPRK-SFHVURJKSA-N 1 0 358.467 2.211 20 30 FEEDRO N#C[C@@H](c1cccs1)N1CCN(C(=O)C[N@@H+]2CCC[C@H]2C2CC2)CC1 ZINC000371470298 557191248 /nfs/dbraw/zinc/19/12/48/557191248.db2.gz KNYAASKVMBPPIE-IRXDYDNUSA-N 1 0 358.511 2.331 20 30 FEEDRO N#Cc1ccc(SCC(=O)NC[C@@H]2CCC[C@@H]2[NH+]2CCOCC2)cc1 ZINC000371562300 557223218 /nfs/dbraw/zinc/22/32/18/557223218.db2.gz DFUMFYCJLVBKPL-WMZOPIPTSA-N 1 0 359.495 2.267 20 30 FEEDRO CC1CC[NH+](CC2CCN(C(=O)C(=O)Nc3cccc(C#N)c3)CC2)CC1 ZINC000371831196 557306019 /nfs/dbraw/zinc/30/60/19/557306019.db2.gz UBZFUUCHKXUSAU-UHFFFAOYSA-N 1 0 368.481 2.467 20 30 FEEDRO Cc1cccc(NC(=O)C(=O)N2CCC[C@H]([NH+]3CCCCC3)C2)c1C#N ZINC000371873094 557316052 /nfs/dbraw/zinc/31/60/52/557316052.db2.gz QRMHMGWJIWHSBV-INIZCTEOSA-N 1 0 354.454 2.282 20 30 FEEDRO COc1ccc(O[C@@H](C)C[NH2+]C[C@H](O)COc2ccc(C#N)cc2)cc1 ZINC000518362691 562109584 /nfs/dbraw/zinc/10/95/84/562109584.db2.gz SVRKYHQPWLNHQD-RDJZCZTQSA-N 1 0 356.422 2.364 20 30 FEEDRO Cc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@@H]([NH+]2CCCCC2)C1 ZINC000371871930 557316268 /nfs/dbraw/zinc/31/62/68/557316268.db2.gz FKXPFPJGGRZFEM-QGZVFWFLSA-N 1 0 354.454 2.282 20 30 FEEDRO Cc1oc(NC(=O)[C@@H](C)N2CCOC3(CCOCC3)CC2)c(C#N)c1C ZINC000372204820 557408644 /nfs/dbraw/zinc/40/86/44/557408644.db2.gz LILHRFNLXVEMOW-CQSZACIVSA-N 1 0 361.442 2.367 20 30 FEEDRO Cc1ccc(C[NH+]2CCC(CNC(=O)N3CCN(C)[C@@H](C#N)C3)CC2)cc1 ZINC000372219084 557412757 /nfs/dbraw/zinc/41/27/57/557412757.db2.gz WBLWSZNIAFNMHR-FQEVSTJZSA-N 1 0 369.513 2.056 20 30 FEEDRO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCCN(C(=O)[C@@H]3CCCO3)CC2)cc1 ZINC000372434789 557469958 /nfs/dbraw/zinc/46/99/58/557469958.db2.gz FJILUYCZEUTCRP-LPHOPBHVSA-N 1 0 357.454 2.191 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(N3CCNC3=O)cc2)CC1 ZINC000519286974 562128620 /nfs/dbraw/zinc/12/86/20/562128620.db2.gz NYXDGNXQLGFCQA-UHFFFAOYSA-N 1 0 357.458 2.378 20 30 FEEDRO CCN(CCC[NH+](C)C)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 ZINC000372731732 557549164 /nfs/dbraw/zinc/54/91/64/557549164.db2.gz JENUPZRXYICCAQ-UHFFFAOYSA-N 1 0 358.421 2.689 20 30 FEEDRO C[C@H]1C[N@H+](CCCNC(=O)[C@@]2(C#N)CCc3ccccc3C2)CCCO1 ZINC000372894318 557584291 /nfs/dbraw/zinc/58/42/91/557584291.db2.gz ZCDPBVVPUTZLGX-UWJYYQICSA-N 1 0 355.482 2.302 20 30 FEEDRO COc1ccc2c(c1)[C@@H]([NH3+])CCN2S(=O)(=O)Cc1cccc(C#N)c1 ZINC000373171916 557643262 /nfs/dbraw/zinc/64/32/62/557643262.db2.gz DMRGMNIOTKZVMO-KRWDZBQOSA-N 1 0 357.435 2.307 20 30 FEEDRO C[C@H]1CN(C(=O)c2ccc(C3(C#N)CC3)cc2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000373198146 557648305 /nfs/dbraw/zinc/64/83/05/557648305.db2.gz NHMDQDSZAYKNEM-PXNSSMCTSA-N 1 0 366.509 2.340 20 30 FEEDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)[C@@H]2CCC(=O)N2Cc2cccc(C#N)c2)C1 ZINC000373695838 557740560 /nfs/dbraw/zinc/74/05/60/557740560.db2.gz JYGWOEUNQLIGHA-OTWHNJEPSA-N 1 0 368.481 2.038 20 30 FEEDRO C=C(C)CN(CC)C(=O)[C@H](C)N1CCC(COC)(C(=O)OCC)CC1 ZINC000373804582 557762828 /nfs/dbraw/zinc/76/28/28/557762828.db2.gz JQCDUBBXADNXCC-INIZCTEOSA-N 1 0 354.491 2.091 20 30 FEEDRO N#Cc1ccc(S(N)(=O)=O)cc1NC1CC[NH+](Cc2ccccc2)CC1 ZINC000373843256 557771594 /nfs/dbraw/zinc/77/15/94/557771594.db2.gz FDBSGOMMKPADMO-UHFFFAOYSA-N 1 0 370.478 2.282 20 30 FEEDRO N#Cc1cccc(-n2ccc(C(=O)N3C[C@@H]4C[N@@H+]5CCCC[C@H]5[C@H]4C3)n2)c1 ZINC000373960172 557796752 /nfs/dbraw/zinc/79/67/52/557796752.db2.gz YUHGGMTUHDFTFH-QRFRQXIXSA-N 1 0 361.449 2.300 20 30 FEEDRO CCOc1ccc(C#N)cc1NC(=O)C(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000520790725 562163888 /nfs/dbraw/zinc/16/38/88/562163888.db2.gz BGWBMNASKAIJTA-HUUCEWRRSA-N 1 0 372.469 2.275 20 30 FEEDRO C[N@H+](CCCC1(C#N)CCOCC1)[C@H]1CC(=O)N(Cc2ccccc2)C1=O ZINC000374109552 557825065 /nfs/dbraw/zinc/82/50/65/557825065.db2.gz SQIUFHYIUJFTDK-SFHVURJKSA-N 1 0 369.465 2.346 20 30 FEEDRO N#Cc1ccc([C@@H](O)C[N@@H+]2CCC[C@H](CNC(=O)c3ccco3)C2)cc1 ZINC000374565427 557900477 /nfs/dbraw/zinc/90/04/77/557900477.db2.gz GZFJXHZKGVBKRO-AEFFLSMTSA-N 1 0 353.422 2.327 20 30 FEEDRO C[C@H](C(=O)Nc1ccccc1C#N)N1CCC[C@H](c2nc(N(C)C)no2)C1 ZINC000374636900 557910197 /nfs/dbraw/zinc/91/01/97/557910197.db2.gz OZCSKMWPDGYLNI-HIFRSBDPSA-N 1 0 368.441 2.214 20 30 FEEDRO C[C@H](C#N)Oc1ccccc1NC(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000374759605 557926613 /nfs/dbraw/zinc/92/66/13/557926613.db2.gz KFLBGBSBAOCWIB-DJIMGWMZSA-N 1 0 358.442 2.040 20 30 FEEDRO C[C@@H]([NH2+]CCCN1C(=O)CNC1=O)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000374954902 557956128 /nfs/dbraw/zinc/95/61/28/557956128.db2.gz PKFVFEDKAZSHCM-GFCCVEGCSA-N 1 0 369.450 2.274 20 30 FEEDRO C=CCN1CC[C@H]([N@@H+]2CCCN(c3ccc(C(F)(F)F)cn3)CC2)C1=O ZINC000375594240 558054300 /nfs/dbraw/zinc/05/43/00/558054300.db2.gz CVKPAVSFDPKHAZ-HNNXBMFYSA-N 1 0 368.403 2.399 20 30 FEEDRO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](c3nc(-c4ccccc4)n[nH]3)C2)C1=O ZINC000375605876 558056042 /nfs/dbraw/zinc/05/60/42/558056042.db2.gz FVWWXOZXZNEYPZ-SJORKVTESA-N 1 0 351.454 2.438 20 30 FEEDRO N#Cc1ccc(N2CCC[C@H]([N@@H+]3CCCC[C@H]3Cn3ccnn3)C2=O)cc1 ZINC000375692289 558068483 /nfs/dbraw/zinc/06/84/83/558068483.db2.gz OTLZIJKXTPEAEI-OALUTQOASA-N 1 0 364.453 2.200 20 30 FEEDRO CC(C)[NH+]1CCC(NC(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CC1 ZINC000375828142 558085840 /nfs/dbraw/zinc/08/58/40/558085840.db2.gz AUMQMUPDZNEBNT-UHFFFAOYSA-N 1 0 370.432 2.877 20 30 FEEDRO CN(C)C(=O)c1c[nH]nc1[C@H]1CCC[N@H+](CCOc2ccc(C#N)cc2)C1 ZINC000375966699 558106407 /nfs/dbraw/zinc/10/64/07/558106407.db2.gz CLCLVIJTLCUQIW-INIZCTEOSA-N 1 0 367.453 2.242 20 30 FEEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]C[C@@H]2C[C@H](F)CN2c2cccnn2)cc1 ZINC000376008810 558112894 /nfs/dbraw/zinc/11/28/94/558112894.db2.gz UKTMAIHOEVFXOU-XIRDDKMYSA-N 1 0 355.417 2.474 20 30 FEEDRO C[C@@H]1CN(C(=O)c2cc(C#N)ccc2Cl)CCN1C1CC[NH+](C)CC1 ZINC000376066732 558122146 /nfs/dbraw/zinc/12/21/46/558122146.db2.gz KDLHNZKGJLNAFK-CQSZACIVSA-N 1 0 360.889 2.452 20 30 FEEDRO C[C@@H]1CC(CNC2=[NH+]C[C@@H]3CN(C(=O)OC(C)(C)C)CCN23)C[C@H](C)O1 ZINC000376126113 558130277 /nfs/dbraw/zinc/13/02/77/558130277.db2.gz AQFIQSZOKNZBDF-VFSICIBPSA-N 1 0 366.506 2.071 20 30 FEEDRO C=C(C)[C@H]1OCCC[C@H]1C(=O)N1CCN(C2CC[NH+](CCC)CC2)CC1 ZINC000376464626 558176725 /nfs/dbraw/zinc/17/67/25/558176725.db2.gz RVQXBIXBUUZCPI-WOJBJXKFSA-N 1 0 363.546 2.376 20 30 FEEDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000376571592 558192368 /nfs/dbraw/zinc/19/23/68/558192368.db2.gz BWSWIEHUAZTECJ-RHSMWYFYSA-N 1 0 365.441 2.229 20 30 FEEDRO CN(C)c1ncc(C[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3F)C2)cn1 ZINC000376743035 558215794 /nfs/dbraw/zinc/21/57/94/558215794.db2.gz RXPKRDHYXCNONI-MRXNPFEDSA-N 1 0 354.433 2.312 20 30 FEEDRO CC(C)(CCC#N)CNC(=O)NC[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000377034518 558254132 /nfs/dbraw/zinc/25/41/32/558254132.db2.gz PJYDDSYLXLXEED-MSOLQXFVSA-N 1 0 358.486 2.251 20 30 FEEDRO N#Cc1ccc(NC(=O)CN2[C@H](C(N)=O)C[C@H]3CCCC[C@@H]32)cc1Cl ZINC000377169067 558280938 /nfs/dbraw/zinc/28/09/38/558280938.db2.gz SZMIMFKRVGYLRV-RLCCDNCMSA-N 1 0 360.845 2.269 20 30 FEEDRO CC(C)c1nccn1C[C@@H]1CCC[N@@H+]1CC(=O)N(CCC#N)CCC#N ZINC000377717468 558404289 /nfs/dbraw/zinc/40/42/89/558404289.db2.gz IGDDKDFGPAXLGD-KRWDZBQOSA-N 1 0 356.474 2.127 20 30 FEEDRO COC[C@@]1(C[NH2+]Cc2cnc3ccc(C#N)cn23)OCCc2ccccc21 ZINC000377723338 558406022 /nfs/dbraw/zinc/40/60/22/558406022.db2.gz NDWAVHVDRXYFHM-OAQYLSRUSA-N 1 0 362.433 2.410 20 30 FEEDRO C[C@](C#N)(NC(=O)CN1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)C1CC1 ZINC000377732535 558407506 /nfs/dbraw/zinc/40/75/06/558407506.db2.gz MMTQNEBRACUNLH-NNMXDRDESA-N 1 0 366.509 2.249 20 30 FEEDRO N#Cc1cccc([C@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C3CCOCC3)CCO2)c1 ZINC000378298565 558523405 /nfs/dbraw/zinc/52/34/05/558523405.db2.gz GVQQUGQTEUEYPC-WOJBJXKFSA-N 1 0 369.465 2.102 20 30 FEEDRO C[C@H]1CN(Cc2cn3ccccc3c2C#N)CCN1C1CC[NH+](C)CC1 ZINC000378369067 558541172 /nfs/dbraw/zinc/54/11/72/558541172.db2.gz JPFGCWIJZXCSQN-KRWDZBQOSA-N 1 0 351.498 2.411 20 30 FEEDRO C=C(C)COc1cccc(NC(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)[C@H]3C2)c1 ZINC000378447076 558559365 /nfs/dbraw/zinc/55/93/65/558559365.db2.gz ACPLNFVRSGLZCY-QAPCUYQASA-N 1 0 357.454 2.133 20 30 FEEDRO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CC[C@H]2CC[N@H+](C)[C@@H]2C1 ZINC000378459543 558562522 /nfs/dbraw/zinc/56/25/22/558562522.db2.gz UAQWJEUSAZPSTG-GPMSIDNRSA-N 1 0 358.461 2.487 20 30 FEEDRO C[C@@H](C[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)N(C)Cc1ccccc1 ZINC000390727391 558611624 /nfs/dbraw/zinc/61/16/24/558611624.db2.gz SGYXUYWGRNLHAH-KRWDZBQOSA-N 1 0 371.506 2.442 20 30 FEEDRO CN(CC[NH2+]CCS(=O)(=O)c1cccc(C#N)c1)Cc1ccccc1 ZINC000395413556 558622746 /nfs/dbraw/zinc/62/27/46/558622746.db2.gz HJDRTCUUVVSJPZ-UHFFFAOYSA-N 1 0 357.479 2.054 20 30 FEEDRO COc1ccc(C#N)cc1NC(=O)N1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000408081096 558644407 /nfs/dbraw/zinc/64/44/07/558644407.db2.gz URBDAAHOBVFERA-OAHLLOKOSA-N 1 0 371.485 2.199 20 30 FEEDRO C[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)n1cnc(C#N)n1 ZINC000524181592 562225058 /nfs/dbraw/zinc/22/50/58/562225058.db2.gz LHQPXSCSATYKKD-CCNLRDMRSA-N 1 0 364.453 2.023 20 30 FEEDRO C[C@@H](C(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1)n1cnc(C#N)n1 ZINC000409459515 558694205 /nfs/dbraw/zinc/69/42/05/558694205.db2.gz RTGPQPBHQNQWHR-CVEARBPZSA-N 1 0 366.469 2.402 20 30 FEEDRO C[C@@H](C(=O)NC[C@@H](c1ccccc1)[NH+]1CCC(C)CC1)n1cnc(C#N)n1 ZINC000409491559 558697318 /nfs/dbraw/zinc/69/73/18/558697318.db2.gz AEWDJPMCAJUERV-WMZOPIPTSA-N 1 0 366.469 2.300 20 30 FEEDRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@H](C)n2cnc(C#N)n2)CC1 ZINC000409694718 558713573 /nfs/dbraw/zinc/71/35/73/558713573.db2.gz NHGPQHMMDKQCJE-CABCVRRESA-N 1 0 352.442 2.053 20 30 FEEDRO C=CCOc1ccc(C(=O)NC[C@@H](O)C[NH+]2CCC(C)CC2)cc1OC ZINC000409713037 558715702 /nfs/dbraw/zinc/71/57/02/558715702.db2.gz BWPSBJMTYIBURN-QGZVFWFLSA-N 1 0 362.470 2.083 20 30 FEEDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNS(=O)(=O)N(CC)C[C@H](C)C#N)C1 ZINC000410130634 558740654 /nfs/dbraw/zinc/74/06/54/558740654.db2.gz MTTUMODGUQBYGU-HZPDHXFCSA-N 1 0 358.552 2.203 20 30 FEEDRO COCCNC(=O)c1c[nH]nc1[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC000410365698 558753125 /nfs/dbraw/zinc/75/31/25/558753125.db2.gz KHJIZGFMGYDNFA-QGZVFWFLSA-N 1 0 367.453 2.037 20 30 FEEDRO COC1CC[NH+](C(C)(C)CNS(=O)(=O)c2ccc(C#N)cc2C)CC1 ZINC000524871649 562236574 /nfs/dbraw/zinc/23/65/74/562236574.db2.gz INJVJOXYDJHDNY-UHFFFAOYSA-N 1 0 365.499 2.034 20 30 FEEDRO C=CCN1C(=O)c2ccc(C(=O)N(C)[C@H]3CC[N@@H+](CC)C[C@@H]3C)cc2C1=O ZINC000525030879 562239516 /nfs/dbraw/zinc/23/95/16/562239516.db2.gz DKHHIPRNRTUPLR-KSSFIOAISA-N 1 0 369.465 2.271 20 30 FEEDRO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)Nc1ccc(C[NH+](C)C)c(C)c1 ZINC000411494560 558904924 /nfs/dbraw/zinc/90/49/24/558904924.db2.gz SYWQQRBGPLWTNY-CRAIPNDOSA-N 1 0 359.470 2.093 20 30 FEEDRO Cc1cccc(NC(=O)C(=O)N(CC[NH+](C)C)Cc2ccsc2)c1C#N ZINC000411692905 558945372 /nfs/dbraw/zinc/94/53/72/558945372.db2.gz KSPDWXOSBYCKHP-UHFFFAOYSA-N 1 0 370.478 2.457 20 30 FEEDRO COc1cc(CNC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)ccc1C#N ZINC000412353143 559030112 /nfs/dbraw/zinc/03/01/12/559030112.db2.gz FVUIVHVYGMTNKC-KRWDZBQOSA-N 1 0 359.495 2.401 20 30 FEEDRO C=CCC1(C(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)CCCCC1 ZINC000412463005 559037244 /nfs/dbraw/zinc/03/72/44/559037244.db2.gz LSPHQROQOZRALC-UHFFFAOYSA-N 1 0 363.546 2.426 20 30 FEEDRO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1ccc(C#N)[nH]1 ZINC000412679535 559050407 /nfs/dbraw/zinc/05/04/07/559050407.db2.gz XCJNHQCWPWSXFY-VQIMIIECSA-N 1 0 352.438 2.153 20 30 FEEDRO N#Cc1ccc(C(=O)NCC2(O)CC[NH+](Cc3ccccc3)CC2)cc1O ZINC000412782370 559056007 /nfs/dbraw/zinc/05/60/07/559056007.db2.gz VUQXLLBCVQKEHH-UHFFFAOYSA-N 1 0 365.433 2.021 20 30 FEEDRO C=CCSCCNC(=O)NCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000413207507 559088597 /nfs/dbraw/zinc/08/85/97/559088597.db2.gz RTUSQBFQBYPBDB-UHFFFAOYSA-N 1 0 363.527 2.232 20 30 FEEDRO COC(=O)[C@H]1CN(C(=O)N[C@H](CCCC#N)c2ccccc2)CC[N@H+](C)C1 ZINC000413588361 559118566 /nfs/dbraw/zinc/11/85/66/559118566.db2.gz XSFBUFSUBVSDAR-QZTJIDSGSA-N 1 0 372.469 2.168 20 30 FEEDRO C=CCN1C(=O)c2ccccc2NC12CC[NH+](CCC(=O)OCC)CC2 ZINC000414189671 559152255 /nfs/dbraw/zinc/15/22/55/559152255.db2.gz RFIOANBHIUVMJY-UHFFFAOYSA-N 1 0 357.454 2.486 20 30 FEEDRO CC[C@@H]1Oc2cc([C@H](C)[NH2+][C@H](C)C(=O)NC3(C#N)CCC3)ccc2NC1=O ZINC000527044879 562274405 /nfs/dbraw/zinc/27/44/05/562274405.db2.gz BFLNMVJBZGITMJ-ZENOOKHLSA-N 1 0 370.453 2.398 20 30 FEEDRO C[C@@H](NC(=O)C(=O)Nc1ccc2c(c1F)CC[NH2+]C2)c1ccc(C#N)cc1 ZINC000414703949 559181183 /nfs/dbraw/zinc/18/11/83/559181183.db2.gz VYMHENVUEGZQMM-GFCCVEGCSA-N 1 0 366.396 2.159 20 30 FEEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(C)C[C@@H](O)C[NH3+] ZINC000415114848 559205980 /nfs/dbraw/zinc/20/59/80/559205980.db2.gz DJFUGJAYMBUDIG-KRWDZBQOSA-N 1 0 368.437 2.229 20 30 FEEDRO C[C@H]([NH3+])C1CCN(C(=O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CC1 ZINC000415371995 559228390 /nfs/dbraw/zinc/22/83/90/559228390.db2.gz ARBDWRGJHZDATB-JTQLQIEISA-N 1 0 368.359 2.101 20 30 FEEDRO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)Nc1sc(C(C)(C)C)cc1C#N ZINC000415425338 559234669 /nfs/dbraw/zinc/23/46/69/559234669.db2.gz JWHWEYMQKFERKY-LBPRGKRZSA-N 1 0 350.488 2.345 20 30 FEEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000415427106 559235511 /nfs/dbraw/zinc/23/55/11/559235511.db2.gz BIUKFNNWMHCBKG-KFWWJZLASA-N 1 0 374.510 2.463 20 30 FEEDRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C1 ZINC000415429283 559235538 /nfs/dbraw/zinc/23/55/38/559235538.db2.gz DNPFJALBYRNLKK-ZYHUDNBSSA-N 1 0 368.359 2.101 20 30 FEEDRO CC(C)[C@@H](C(=O)OC(C)(C)C)N1CC[C@H]([NH2+]CCC(C)(C)C#N)C1=O ZINC000527193833 562279598 /nfs/dbraw/zinc/27/95/98/562279598.db2.gz YJUJSMKJJCSMFF-GJZGRUSLSA-N 1 0 351.491 2.483 20 30 FEEDRO CC(C)(C)[C@@H](C[NH3+])NC(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 ZINC000415461468 559239642 /nfs/dbraw/zinc/23/96/42/559239642.db2.gz NWMZFYODYSWRJJ-CQSZACIVSA-N 1 0 360.849 2.892 20 30 FEEDRO COCCOc1ccc(C#N)cc1NC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000415463089 559239906 /nfs/dbraw/zinc/23/99/06/559239906.db2.gz IYMLTICQGRZAMA-HRCADAONSA-N 1 0 358.442 2.175 20 30 FEEDRO C[C@H]1CCN(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)[C@H](C[NH3+])C1 ZINC000415465328 559239979 /nfs/dbraw/zinc/23/99/79/559239979.db2.gz SIRWJUNDWRBXOY-WFASDCNBSA-N 1 0 372.860 2.988 20 30 FEEDRO C[C@H]1CN(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)[C@@H](C)C[NH2+]1 ZINC000415465016 559240015 /nfs/dbraw/zinc/24/00/15/559240015.db2.gz SAUFEKHFXLUGTR-RYUDHWBXSA-N 1 0 358.833 2.611 20 30 FEEDRO N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)n1 ZINC000415471174 559240960 /nfs/dbraw/zinc/24/09/60/559240960.db2.gz ZYIWMFREMZYNGT-UONOGXRCSA-N 1 0 358.833 2.789 20 30 FEEDRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)Nc1ccc(CC#N)cc1Cl ZINC000415479589 559241728 /nfs/dbraw/zinc/24/17/28/559241728.db2.gz ABVCVUAPIPVBPC-AWEZNQCLSA-N 1 0 350.850 2.176 20 30 FEEDRO CC(C)[C@@H]1CCc2c(C#N)c(NC(=O)C(=O)NC[C@H](C)C[NH3+])sc2C1 ZINC000415510902 559245275 /nfs/dbraw/zinc/24/52/75/559245275.db2.gz LKWSLOUQVCCBPQ-VXGBXAGGSA-N 1 0 362.499 2.030 20 30 FEEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000415515167 559245518 /nfs/dbraw/zinc/24/55/18/559245518.db2.gz DAZHJZKCUHQXPO-MCIONIFRSA-N 1 0 360.483 2.215 20 30 FEEDRO CC(C)[C@H]1CCc2c(C#N)c(NC(=O)C(=O)NC[C@@H]([NH3+])C3CC3)sc2C1 ZINC000415537097 559247676 /nfs/dbraw/zinc/24/76/76/559247676.db2.gz GMILJJVMXLMNBG-SWLSCSKDSA-N 1 0 374.510 2.173 20 30 FEEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000415563900 559250047 /nfs/dbraw/zinc/25/00/47/559250047.db2.gz HPXOINNOUJJQGC-MGPQQGTHSA-N 1 0 360.483 2.073 20 30 FEEDRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)Nc1ccc(S(=O)(=O)[C@H](C)C#N)cc1 ZINC000415601158 559254180 /nfs/dbraw/zinc/25/41/80/559254180.db2.gz PNPAYECUOGLXDW-CJNGLKHVSA-N 1 0 366.487 2.209 20 30 FEEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000415646151 559257728 /nfs/dbraw/zinc/25/77/28/559257728.db2.gz MMCHGRCGNYZNLQ-MCIONIFRSA-N 1 0 360.483 2.263 20 30 FEEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000415669955 559260134 /nfs/dbraw/zinc/26/01/34/559260134.db2.gz ICLZLYWROXOZDC-MGPQQGTHSA-N 1 0 360.483 2.276 20 30 FEEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000415698138 559263048 /nfs/dbraw/zinc/26/30/48/559263048.db2.gz XUESSPSFGYBAMQ-ACJLOTCBSA-N 1 0 360.483 2.074 20 30 FEEDRO C=C(C)COc1cccc(NC(=O)C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)c1 ZINC000415731200 559265772 /nfs/dbraw/zinc/26/57/72/559265772.db2.gz FIWQQXFYIFAMEC-WKILWMFISA-N 1 0 359.470 2.461 20 30 FEEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000415751296 559267735 /nfs/dbraw/zinc/26/77/35/559267735.db2.gz VYXKOUQJDIZLSJ-RBSFLKMASA-N 1 0 372.494 2.087 20 30 FEEDRO CC(C)(C)c1cc(C#N)c(NC(=O)C(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)s1 ZINC000415801714 559272526 /nfs/dbraw/zinc/27/25/26/559272526.db2.gz FNMMFBNXQIVZES-DGCLKSJQSA-N 1 0 362.499 2.489 20 30 FEEDRO C=C(C)COc1cccc(NC(=O)C(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000415814180 559274204 /nfs/dbraw/zinc/27/42/04/559274204.db2.gz CXMCQMMYLURSSR-DLBZAZTESA-N 1 0 371.481 2.428 20 30 FEEDRO CC(C)(C)c1csc(NC(=O)C(=O)NC[C@H]2CCC[C@H]([NH3+])C2)c1C#N ZINC000415817274 559274345 /nfs/dbraw/zinc/27/43/45/559274345.db2.gz UXHPTGGKDHHBSV-RYUDHWBXSA-N 1 0 362.499 2.489 20 30 FEEDRO C=CCOc1cccc(NC(=O)C(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000415820278 559274833 /nfs/dbraw/zinc/27/48/33/559274833.db2.gz KYNXPAPUOHJVQC-JKSUJKDBSA-N 1 0 357.454 2.038 20 30 FEEDRO Cc1cc(C#N)cc(NC(=O)C(=O)N[C@H](CCC[NH3+])c2ccccc2)c1 ZINC000415826750 559275874 /nfs/dbraw/zinc/27/58/74/559275874.db2.gz DFSKXTMQKMTAMU-GOSISDBHSA-N 1 0 350.422 2.402 20 30 FEEDRO C[C@H]1C[NH+](Cc2ccccc2NCC(=O)NC2(C#N)CCC2)C[C@H](C)O1 ZINC000527117684 562277121 /nfs/dbraw/zinc/27/71/21/562277121.db2.gz CJCHBSVHICOSHW-HOTGVXAUSA-N 1 0 356.470 2.270 20 30 FEEDRO CC[NH2+]Cc1ccccc1NC(=O)N1CCN(c2ncccc2C#N)CC1 ZINC000415947012 559284128 /nfs/dbraw/zinc/28/41/28/559284128.db2.gz VKMBACMYRWSOAA-UHFFFAOYSA-N 1 0 364.453 2.417 20 30 FEEDRO Cc1ncc(S(=O)(=O)N(CC[NH+](C)C)Cc2ccsc2)cc1C#N ZINC000416564256 559322031 /nfs/dbraw/zinc/32/20/31/559322031.db2.gz ZPYQRUAKNPEIEO-UHFFFAOYSA-N 1 0 364.496 2.076 20 30 FEEDRO N#Cc1ccc(N2CCC[C@H](NC(=O)N[C@@H]3CC[C@H](C[NH3+])C3)C2)c(F)c1 ZINC000417573402 559367277 /nfs/dbraw/zinc/36/72/77/559367277.db2.gz HPTQNTRONQNQLM-IMJJTQAJSA-N 1 0 359.449 2.093 20 30 FEEDRO C[NH2+]C[C@@H]1CCCN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)C1 ZINC000417578735 559367460 /nfs/dbraw/zinc/36/74/60/559367460.db2.gz OFNPTZMWBGLOLS-DLBZAZTESA-N 1 0 373.476 2.307 20 30 FEEDRO N#Cc1ccc(CN2CCN(C(=O)N[C@H](C[NH3+])C3CCCCC3)CC2)cc1 ZINC000418353211 559398686 /nfs/dbraw/zinc/39/86/86/559398686.db2.gz CTPKKJWJBPXGLY-HXUWFJFHSA-N 1 0 369.513 2.293 20 30 FEEDRO CC(C)C[C@H](C[NH3+])NC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000418435306 559401495 /nfs/dbraw/zinc/40/14/95/559401495.db2.gz FZTPGBXHYYEUKJ-GOSISDBHSA-N 1 0 371.485 2.292 20 30 FEEDRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000418604984 559407534 /nfs/dbraw/zinc/40/75/34/559407534.db2.gz YHECQEDRXXYXCL-SUMWQHHRSA-N 1 0 360.433 2.248 20 30 FEEDRO COCC1(CNC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)CC[NH2+]CC1 ZINC000418635828 559408919 /nfs/dbraw/zinc/40/89/19/559408919.db2.gz FVUGOBNVALYONN-UHFFFAOYSA-N 1 0 368.481 2.373 20 30 FEEDRO C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000419054801 559426320 /nfs/dbraw/zinc/42/63/20/559426320.db2.gz IKAIRJOXZMFSQU-ROUUACIJSA-N 1 0 357.498 2.184 20 30 FEEDRO C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)N(CCC)C1CC[NH2+]CC1 ZINC000419058034 559426517 /nfs/dbraw/zinc/42/65/17/559426517.db2.gz PETDLZYADAUNGE-SFHVURJKSA-N 1 0 357.498 2.281 20 30 FEEDRO C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000419060497 559426579 /nfs/dbraw/zinc/42/65/79/559426579.db2.gz TYPPOOHYNWCRIU-UXHICEINSA-N 1 0 369.509 2.281 20 30 FEEDRO C[C@@H]1[C@H](C)C[N@H+](CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)[C@H]1C ZINC000419382946 559440372 /nfs/dbraw/zinc/44/03/72/559440372.db2.gz ZMSXDGOEJRPPET-WCXIOVBPSA-N 1 0 360.527 2.433 20 30 FEEDRO N#CCC[C@@H](NC(=O)C(=O)N[C@@H](C[NH3+])C1CCCCC1)c1ccccc1 ZINC000419477976 559444441 /nfs/dbraw/zinc/44/44/41/559444441.db2.gz RZZXVULWFZKWQL-MSOLQXFVSA-N 1 0 356.470 2.171 20 30 FEEDRO C=C(C)[C@H](NC(=O)C(=O)N[C@H](C)[C@H]1CCC[NH2+]C1)c1ccc(F)c(F)c1 ZINC000419686161 559454159 /nfs/dbraw/zinc/45/41/59/559454159.db2.gz YQYIPHMFLWKFBR-IFIJOSMWSA-N 1 0 365.424 2.203 20 30 FEEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000420109606 559473186 /nfs/dbraw/zinc/47/31/86/559473186.db2.gz YSNXDZSPCLZKQW-AAEUAGOBSA-N 1 0 355.891 2.030 20 30 FEEDRO Cc1ccc(C#N)cc1S(=O)(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000420471382 559489326 /nfs/dbraw/zinc/48/93/26/559489326.db2.gz PXGHFYGMJHYDFQ-DOTOQJQBSA-N 1 0 359.426 2.121 20 30 FEEDRO CC(=O)N[C@@H]1CC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)C1 ZINC000420976611 559516000 /nfs/dbraw/zinc/51/60/00/559516000.db2.gz BDBYRFTZYXZQIU-GXTWGEPZSA-N 1 0 374.510 2.284 20 30 FEEDRO CCC[NH+]1CCN(C(=O)Nc2c(C#N)cn(CC)c2C(=O)OCC)CC1 ZINC000421170763 559528436 /nfs/dbraw/zinc/52/84/36/559528436.db2.gz FIGCTULMHFZFLQ-UHFFFAOYSA-N 1 0 361.446 2.116 20 30 FEEDRO C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000421543603 559544875 /nfs/dbraw/zinc/54/48/75/559544875.db2.gz FECLANZLIBRKJM-MJGOQNOKSA-N 1 0 357.498 2.281 20 30 FEEDRO C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000422350087 559580530 /nfs/dbraw/zinc/58/05/30/559580530.db2.gz AEKDXYAYJOGONH-AEFFLSMTSA-N 1 0 359.514 2.383 20 30 FEEDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C(=O)NCC(C)(C)CC#N)C1 ZINC000422478796 559590885 /nfs/dbraw/zinc/59/08/85/559590885.db2.gz IQEHOUVGTOXUSC-DLBZAZTESA-N 1 0 362.518 2.155 20 30 FEEDRO C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000422523949 559592748 /nfs/dbraw/zinc/59/27/48/559592748.db2.gz DVAJCFZDFCWLJV-ZCNNSNEGSA-N 1 0 369.509 2.233 20 30 FEEDRO C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000422530687 559593182 /nfs/dbraw/zinc/59/31/82/559593182.db2.gz RFJBUHQRVZTDSB-MISYRCLQSA-N 1 0 371.525 2.479 20 30 FEEDRO C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000422529907 559593195 /nfs/dbraw/zinc/59/31/95/559593195.db2.gz PTIQFSMVAPOAMV-VQTJNVASSA-N 1 0 369.509 2.377 20 30 FEEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CCC([NH2+]C)CC1 ZINC000423026967 559615661 /nfs/dbraw/zinc/61/56/61/559615661.db2.gz QPOHCOHBHIWUGU-UHFFFAOYSA-N 1 0 355.891 2.127 20 30 FEEDRO C=CCN(Cc1ccccc1F)C(=O)C(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000423188184 559622447 /nfs/dbraw/zinc/62/24/47/559622447.db2.gz PTRZCUBLTGGYGB-IAGOWNOFSA-N 1 0 373.472 2.188 20 30 FEEDRO C=CCCCCCN(C)C(=O)C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000423349603 559626309 /nfs/dbraw/zinc/62/63/09/559626309.db2.gz XBUGKBCPFWETCM-FUHWJXTLSA-N 1 0 361.461 2.284 20 30 FEEDRO O=C(Nc1ccccc1C#Cc1ccccc1)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000423571652 559632643 /nfs/dbraw/zinc/63/26/43/559632643.db2.gz WBNYZXNXJWCWKT-UHFFFAOYSA-N 1 0 373.456 2.379 20 30 FEEDRO C=CCOc1cc(OC)ccc1C(=O)N1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000423728078 559637307 /nfs/dbraw/zinc/63/73/07/559637307.db2.gz VSKYFLHAPLJJDI-HNNXBMFYSA-N 1 0 360.454 2.088 20 30 FEEDRO COc1cc(CN(C)C(=O)[C@H]([NH3+])CCCC#N)c(SC)cc1OC ZINC000424115389 559655317 /nfs/dbraw/zinc/65/53/17/559655317.db2.gz AJYAOOWGBZGJQC-CYBMUJFWSA-N 1 0 351.472 2.405 20 30 FEEDRO C=CCCn1cc(C(=O)NCc2ccc(OCC[NH+]3CCCC3)cc2)nn1 ZINC000424666888 559673033 /nfs/dbraw/zinc/67/30/33/559673033.db2.gz QCJQZOKUQLNEBH-UHFFFAOYSA-N 1 0 369.469 2.259 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)c1cnn(CC[NH+](C)C)c1-c1ccccc1 ZINC000424927467 559680204 /nfs/dbraw/zinc/68/02/04/559680204.db2.gz WQASJQXOCOFVJY-HKUYNNGSSA-N 1 0 368.481 2.433 20 30 FEEDRO CN1CC[N@H+](CCCNC(=O)N[C@@H]2CC[C@H](C#N)C2)[C@H](c2ccccc2)C1 ZINC000425409190 559700692 /nfs/dbraw/zinc/70/06/92/559700692.db2.gz ADFZLFBJZYRJOF-SXLOBPIMSA-N 1 0 369.513 2.357 20 30 FEEDRO C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@H](n3ccnn3)C2)c(OC)c1 ZINC000425497091 559705636 /nfs/dbraw/zinc/70/56/36/559705636.db2.gz BYFLOAASGLAQAZ-ROUUACIJSA-N 1 0 372.469 2.092 20 30 FEEDRO CCOC(=O)[C@@H]1CCCCN1C(=O)CN(C)[C@@H](C)c1cccc(C#N)c1 ZINC000425543041 559708742 /nfs/dbraw/zinc/70/87/42/559708742.db2.gz RKKKNOUTYMHTPU-YJBOKZPZSA-N 1 0 357.454 2.495 20 30 FEEDRO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+](C)CCCN1C(=O)c2ccccc2C1=O ZINC000425544526 559709112 /nfs/dbraw/zinc/70/91/12/559709112.db2.gz POTRQFXOAIQQGS-INIZCTEOSA-N 1 0 371.481 2.418 20 30 FEEDRO N#C[C@H]1CC[C@@H](NC(=O)NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)C1 ZINC000425718623 559715999 /nfs/dbraw/zinc/71/59/99/559715999.db2.gz ABKPPXDIISPLRI-KFKAGJAMSA-N 1 0 356.470 2.135 20 30 FEEDRO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000425859248 559723054 /nfs/dbraw/zinc/72/30/54/559723054.db2.gz DSNRJCOFCUQZAS-HNNXBMFYSA-N 1 0 356.470 2.068 20 30 FEEDRO C[NH+](C)C[C@H](O)COc1ccc(NC(=O)Cc2ccc(C#N)cc2)cc1 ZINC000426884145 559743727 /nfs/dbraw/zinc/74/37/27/559743727.db2.gz SAYZIUWXHRFBMC-SFHVURJKSA-N 1 0 353.422 2.041 20 30 FEEDRO C=CC[C@H](C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1)c1ccccc1 ZINC000426996779 559745342 /nfs/dbraw/zinc/74/53/42/559745342.db2.gz DUDPHSHDDFCSMG-IBGZPJMESA-N 1 0 357.498 2.405 20 30 FEEDRO CC[NH+](CC)CCCC1CCN(S(=O)(=O)c2cccnc2C#N)CC1 ZINC000428393808 559774574 /nfs/dbraw/zinc/77/45/74/559774574.db2.gz PNCYOBNTMGTNBZ-UHFFFAOYSA-N 1 0 364.515 2.476 20 30 FEEDRO Cc1cccc2c1C[N@H+](CC(=O)N1CCN([C@H](C#N)C(C)C)CC1)CC2 ZINC000429561709 559801453 /nfs/dbraw/zinc/80/14/53/559801453.db2.gz SHJAZSLBVSZSDJ-HXUWFJFHSA-N 1 0 354.498 2.046 20 30 FEEDRO C=CCc1ccccc1OC[C@@H](O)C[NH2+][C@H]1CCO[C@@H]1c1cnn(C)c1C ZINC000431966712 559849567 /nfs/dbraw/zinc/84/95/67/559849567.db2.gz WSJPBRBFGJCCMW-HFSMHLIXSA-N 1 0 371.481 2.317 20 30 FEEDRO COC[C@H]([NH2+][C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2)[C@H]1CCCO1 ZINC000434784800 559909278 /nfs/dbraw/zinc/90/92/78/559909278.db2.gz MTHKZDRITUNOJM-BYCMXARLSA-N 1 0 363.483 2.219 20 30 FEEDRO COC(=O)[C@H]1CC[N@H+](Cc2cn(CCC#N)nc2-c2ccncc2)[C@H]1C ZINC000434983832 559913730 /nfs/dbraw/zinc/91/37/30/559913730.db2.gz UKAUQTZBRXKIEQ-YOEHRIQHSA-N 1 0 353.426 2.242 20 30 FEEDRO CCc1nc(CN(C(C)=O)[C@H]2CCN(Cc3ccc(C#N)s3)C2)no1 ZINC000435878689 559931706 /nfs/dbraw/zinc/93/17/06/559931706.db2.gz FDUQEOIZJNBQLS-ZDUSSCGKSA-N 1 0 359.455 2.188 20 30 FEEDRO CC(C)(C)OC(=O)CN[C@@]1(C)CC[N@H+](CCCC2(C#N)CCOCC2)C1 ZINC000440502046 560012567 /nfs/dbraw/zinc/01/25/67/560012567.db2.gz RCFBJAPXFYGSJR-IBGZPJMESA-N 1 0 365.518 2.483 20 30 FEEDRO COc1cc(CNC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)ccc1C#N ZINC000440817183 560018912 /nfs/dbraw/zinc/01/89/12/560018912.db2.gz PBLSLGFZTUTCDZ-NRFANRHFSA-N 1 0 351.450 2.293 20 30 FEEDRO CCCCNC(=O)C1([NH2+]CC(=O)N(CC)C[C@@H](C)C#N)CCCCC1 ZINC000440892474 560019225 /nfs/dbraw/zinc/01/92/25/560019225.db2.gz GZBXDNTXPHQXFH-INIZCTEOSA-N 1 0 350.507 2.203 20 30 FEEDRO Cc1cccc(NC(=O)C(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)c1C#N ZINC000441595015 560035968 /nfs/dbraw/zinc/03/59/68/560035968.db2.gz YPFWKJKYSNAUDH-KRWDZBQOSA-N 1 0 364.449 2.094 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)NCC[NH+]2CCC3(CCCCC3)CC2)cn1 ZINC000443087380 560070019 /nfs/dbraw/zinc/07/00/19/560070019.db2.gz PNVZHUKSRJKPRZ-UHFFFAOYSA-N 1 0 362.499 2.278 20 30 FEEDRO C[NH+](C)C1(CNS(=O)(=O)c2ccc(F)cc2C#N)Cc2ccccc2C1 ZINC000443250686 560076421 /nfs/dbraw/zinc/07/64/21/560076421.db2.gz OIGQOVGXOVIASY-UHFFFAOYSA-N 1 0 373.453 2.075 20 30 FEEDRO N#Cc1cccc(C2(C(=O)N3CC[C@@H](OCC[NH+]4CCCC4)C3)CC2)c1 ZINC000443872818 560095091 /nfs/dbraw/zinc/09/50/91/560095091.db2.gz BCVIOVGMHBKBBV-LJQANCHMSA-N 1 0 353.466 2.303 20 30 FEEDRO Cc1cc(S(=O)(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)ccc1C#N ZINC000443955748 560097343 /nfs/dbraw/zinc/09/73/43/560097343.db2.gz BTGWQBJSGNGWOI-GOSISDBHSA-N 1 0 357.479 2.318 20 30 FEEDRO COCCNS(=O)(=O)c1ccc(C[NH2+]Cc2ccc(C#N)c(C)c2)cc1 ZINC000443970162 560097856 /nfs/dbraw/zinc/09/78/56/560097856.db2.gz QBOIGANDJRJZEN-UHFFFAOYSA-N 1 0 373.478 2.081 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNS(=O)(=O)c1cn(CC)c(C)n1)C(C)C ZINC000444108619 560102158 /nfs/dbraw/zinc/10/21/58/560102158.db2.gz DATUSAYPFWJIJS-INIZCTEOSA-N 1 0 354.520 2.188 20 30 FEEDRO C[N@H+](CCNC(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1)C1CC1 ZINC000444148232 560103087 /nfs/dbraw/zinc/10/30/87/560103087.db2.gz YGCXMWDOIPVQBO-UHFFFAOYSA-N 1 0 361.877 2.137 20 30 FEEDRO CN(C)c1ccc(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)nc1 ZINC000444347289 560110301 /nfs/dbraw/zinc/11/03/01/560110301.db2.gz XSWYYQRWYRJVDW-UHFFFAOYSA-N 1 0 363.465 2.436 20 30 FEEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@@H](CO)[C@H]1CCCO1 ZINC000447914907 560172902 /nfs/dbraw/zinc/17/29/02/560172902.db2.gz QEINKXNVTLZOMV-VNQPRFMTSA-N 1 0 363.483 2.006 20 30 FEEDRO C=CCCCNC(=O)N1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000448391774 560186150 /nfs/dbraw/zinc/18/61/50/560186150.db2.gz UYEOXUTXEXBSSL-UHFFFAOYSA-N 1 0 352.523 2.078 20 30 FEEDRO Cc1[nH]c(C#N)cc1C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000448686227 560194124 /nfs/dbraw/zinc/19/41/24/560194124.db2.gz GUVWINPQSVGASQ-UHFFFAOYSA-N 1 0 351.454 2.137 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000448731769 560196860 /nfs/dbraw/zinc/19/68/60/560196860.db2.gz AJNISYZEMNMGEA-UXHICEINSA-N 1 0 357.498 2.296 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)CC1 ZINC000448923920 560207078 /nfs/dbraw/zinc/20/70/78/560207078.db2.gz WNSHMZZVGXUAHH-UHFFFAOYSA-N 1 0 355.398 2.161 20 30 FEEDRO C[C@@H]1CC[N@H+](C)CCN1C(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 ZINC000448982113 560210181 /nfs/dbraw/zinc/21/01/81/560210181.db2.gz WIUVMTRLOOCMMK-HIFRSBDPSA-N 1 0 374.872 2.117 20 30 FEEDRO CC[NH+](CC)CCNC(=O)COc1ccc(C#N)c(Br)c1 ZINC000449042701 560214039 /nfs/dbraw/zinc/21/40/39/560214039.db2.gz UEDUORHMWDVARO-UHFFFAOYSA-N 1 0 354.248 2.158 20 30 FEEDRO CC[N@@H+]1CCC[C@H]1CNC(=O)COc1cccc(Br)c1C#N ZINC000449171881 560218892 /nfs/dbraw/zinc/21/88/92/560218892.db2.gz BDKRRINNJDRJPJ-LBPRGKRZSA-N 1 0 366.259 2.300 20 30 FEEDRO CN(C[C@@H]1CC[N@H+](C)C1)C(=O)COc1ccc(C#N)c(Br)c1 ZINC000449843771 560242279 /nfs/dbraw/zinc/24/22/79/560242279.db2.gz SLWQUSFQBXZVIA-GFCCVEGCSA-N 1 0 366.259 2.110 20 30 FEEDRO C[NH+](C)CCCCNC(=O)COc1cccc(Br)c1C#N ZINC000449878508 560243688 /nfs/dbraw/zinc/24/36/88/560243688.db2.gz BFQDILOGSXGJIU-UHFFFAOYSA-N 1 0 354.248 2.158 20 30 FEEDRO C[NH+](C)C[C@H]1CCN(C(=O)COc2cccc(Br)c2C#N)C1 ZINC000449889960 560244328 /nfs/dbraw/zinc/24/43/28/560244328.db2.gz FCWZJZZILDPVEO-GFCCVEGCSA-N 1 0 366.259 2.110 20 30 FEEDRO CC(C)(C)[NH2+]CCNC(=O)COc1ccc(C#N)c(Br)c1 ZINC000449909962 560244962 /nfs/dbraw/zinc/24/49/62/560244962.db2.gz DHDVZKQCKRCBEH-UHFFFAOYSA-N 1 0 354.248 2.204 20 30 FEEDRO C[NH+](C)CCOc1ccc(CCNc2nc3c(cc2C#N)COCC3)cc1 ZINC000450315337 560258315 /nfs/dbraw/zinc/25/83/15/560258315.db2.gz PBXDZAQXICLEBF-UHFFFAOYSA-N 1 0 366.465 2.621 20 30 FEEDRO COc1cc(OC)c2ncc(C#N)c(NC[C@H]3CCC[N@@H+]3CCCO)c2c1 ZINC000450588525 560267181 /nfs/dbraw/zinc/26/71/81/560267181.db2.gz BOEAFSYRDIDQRD-OAHLLOKOSA-N 1 0 370.453 2.382 20 30 FEEDRO CO[C@@H]1COCC[C@@H]1CC(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000450673849 560269765 /nfs/dbraw/zinc/26/97/65/560269765.db2.gz QWIKFZMZYDSCIU-RTBURBONSA-N 1 0 371.481 2.103 20 30 FEEDRO C=CC(C)(C)CNc1ccc(S(=O)(=O)NCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000450722375 560271376 /nfs/dbraw/zinc/27/13/76/560271376.db2.gz AXYYDSPDIUYRSR-UHFFFAOYSA-N 1 0 370.475 2.059 20 30 FEEDRO N#Cc1ccc(N2CC[NH+]([C@H]3CCNC(=O)CC3)CC2)cc1C(F)(F)F ZINC000450893221 560276894 /nfs/dbraw/zinc/27/68/94/560276894.db2.gz RCKHXWJANYSQSK-CQSZACIVSA-N 1 0 366.387 2.368 20 30 FEEDRO C=C(CC)CNc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000450918183 560278473 /nfs/dbraw/zinc/27/84/73/560278473.db2.gz ZVFWUNTUTOSIKK-UHFFFAOYSA-N 1 0 370.475 2.203 20 30 FEEDRO CC[C@H]1[C@H](CO)CC[N@@H+]1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000451253353 560296067 /nfs/dbraw/zinc/29/60/67/560296067.db2.gz JNWGCEWMFDTREN-RDJZCZTQSA-N 1 0 368.399 2.266 20 30 FEEDRO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NS(=O)(=O)c2ccc(CC#N)cc2Cl)C1 ZINC000451275898 560297624 /nfs/dbraw/zinc/29/76/24/560297624.db2.gz YQWNRADHMRLOLE-DOMZBBRYSA-N 1 0 355.891 2.413 20 30 FEEDRO CN(C)C(=O)C1([NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCCCC1 ZINC000451411234 560305147 /nfs/dbraw/zinc/30/51/47/560305147.db2.gz LYNDRKYQHQZOHD-GOSISDBHSA-N 1 0 368.481 2.434 20 30 FEEDRO CN(C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)S(=O)(=O)CC(C)(C)CC#N ZINC000451423742 560306215 /nfs/dbraw/zinc/30/62/15/560306215.db2.gz DAPXBVMWIGKMIO-IRXDYDNUSA-N 1 0 364.515 2.276 20 30 FEEDRO CCC[C@H]([NH2+]CC(=O)N1CCN(c2oc(C)nc2C#N)CC1)C(C)(C)C ZINC000451443714 560307277 /nfs/dbraw/zinc/30/72/77/560307277.db2.gz ZXSDQBYDNOJEBH-INIZCTEOSA-N 1 0 361.490 2.308 20 30 FEEDRO CC(=O)N1CCC[N@H+](C[C@H]2CCCN(CC#Cc3ccccc3)C2)CC1 ZINC000451529818 560312391 /nfs/dbraw/zinc/31/23/91/560312391.db2.gz OBQPMNKWVJADIN-QFIPXVFZSA-N 1 0 353.510 2.304 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000451605902 560317085 /nfs/dbraw/zinc/31/70/85/560317085.db2.gz LAXTZDITXYBGET-OLZOCXBDSA-N 1 0 370.203 2.229 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]CC(=O)Nc1cc(C)c(C(=O)OCC)s1 ZINC000451682689 560321729 /nfs/dbraw/zinc/32/17/29/560321729.db2.gz SGUQENLFUBHDKZ-OLZOCXBDSA-N 1 0 352.456 2.495 20 30 FEEDRO C=CCn1c([C@H]2CCCO2)nnc1N1CC[N@@H+](CCOCC)[C@@H](CC)C1 ZINC000453412361 560386093 /nfs/dbraw/zinc/38/60/93/560386093.db2.gz GOBPINICIGFJGA-DLBZAZTESA-N 1 0 363.506 2.253 20 30 FEEDRO C=CCn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000453433062 560386531 /nfs/dbraw/zinc/38/65/31/560386531.db2.gz FWDGZEIIOXSTKE-OAHLLOKOSA-N 1 0 369.473 2.030 20 30 FEEDRO C=C(C)Cn1c([C@@H](C)OCCOC)nnc1N(C)[C@H]1CC[N@@H+](C(C)C)C1 ZINC000453448478 560387002 /nfs/dbraw/zinc/38/70/02/560387002.db2.gz CLUYYQUWHSYBFC-SJORKVTESA-N 1 0 365.522 2.497 20 30 FEEDRO N#CCc1ccc(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)c(Cl)c1 ZINC000453573771 560389134 /nfs/dbraw/zinc/38/91/34/560389134.db2.gz HRBIOKAFXPWFQI-HOTGVXAUSA-N 1 0 360.845 2.088 20 30 FEEDRO N#CCc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c(Cl)c1 ZINC000453573770 560389188 /nfs/dbraw/zinc/38/91/88/560389188.db2.gz HRBIOKAFXPWFQI-CVEARBPZSA-N 1 0 360.845 2.088 20 30 FEEDRO N#CCc1cccc(NC(=O)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000453582284 560389619 /nfs/dbraw/zinc/38/96/19/560389619.db2.gz SYLTULBQFKGIIP-IBGZPJMESA-N 1 0 362.433 2.082 20 30 FEEDRO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(=O)Nc2ccc(CC#N)cc2Cl)C1 ZINC000453665634 560394741 /nfs/dbraw/zinc/39/47/41/560394741.db2.gz GUBHGGTYIYCGMR-MLGOLLRUSA-N 1 0 362.861 2.189 20 30 FEEDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)C(=O)Nc1ccc(CC#N)cc1Cl ZINC000453756149 560401952 /nfs/dbraw/zinc/40/19/52/560401952.db2.gz PUQWSYXWYMQFRH-SUMWQHHRSA-N 1 0 374.872 2.430 20 30 FEEDRO C[C@@H]1[C@H](C)N(C(=O)C(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)CCN1C ZINC000453771406 560403129 /nfs/dbraw/zinc/40/31/29/560403129.db2.gz UODIGZFYDJGTMI-KGLIPLIRSA-N 1 0 372.469 2.225 20 30 FEEDRO C=CC(C)(C)CNC(=O)C(=O)Nc1cccc(N2CC[NH+](CC)CC2)c1 ZINC000453884674 560410614 /nfs/dbraw/zinc/41/06/14/560410614.db2.gz XQEQXEGCHPYBOB-UHFFFAOYSA-N 1 0 358.486 2.095 20 30 FEEDRO N#CCc1ccc(NC(=O)C(=O)NC2CC[NH+](C3CCC3)CC2)c(Cl)c1 ZINC000454019535 560422572 /nfs/dbraw/zinc/42/25/72/560422572.db2.gz QRYDVPGEGDYLKD-UHFFFAOYSA-N 1 0 374.872 2.478 20 30 FEEDRO C=C(C)CCNC(=O)N1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000455318764 560477806 /nfs/dbraw/zinc/47/78/06/560477806.db2.gz YTHXAYASBGWKHZ-UHFFFAOYSA-N 1 0 360.502 2.425 20 30 FEEDRO CCn1ccnc1[C@H](C)NC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000455443651 560482463 /nfs/dbraw/zinc/48/24/63/560482463.db2.gz DLZIPELMTQVCHO-INIZCTEOSA-N 1 0 366.469 2.363 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)c2ccc(S(=O)(=O)CC3CC3)cc2)CC1 ZINC000455492917 560484437 /nfs/dbraw/zinc/48/44/37/560484437.db2.gz WSSLYMFIBZCTTN-UHFFFAOYSA-N 1 0 362.495 2.251 20 30 FEEDRO C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)Nc1ccc(CC#N)cc1Cl ZINC000455727230 560493068 /nfs/dbraw/zinc/49/30/68/560493068.db2.gz FVWGBGOKOTVTBP-MLGOLLRUSA-N 1 0 350.850 2.325 20 30 FEEDRO COc1c[nH+]ccc1N1CCN(C(=O)Nc2cnc(C#N)c(Cl)c2)CC1 ZINC000455766835 560494266 /nfs/dbraw/zinc/49/42/66/560494266.db2.gz UDMSUFSRPHQDNT-UHFFFAOYSA-N 1 0 372.816 2.364 20 30 FEEDRO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)Nc2cnc(C#N)c(Cl)c2)CC1 ZINC000455798422 560495065 /nfs/dbraw/zinc/49/50/65/560495065.db2.gz WTWSMJXYXYVDOD-GFCCVEGCSA-N 1 0 365.865 2.163 20 30 FEEDRO Cc1cc(C(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)ncc1C#N ZINC000457622977 560578485 /nfs/dbraw/zinc/57/84/85/560578485.db2.gz TZJVGGWVPPVCPV-UHFFFAOYSA-N 1 0 364.449 2.148 20 30 FEEDRO Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C1C[NH+](C2CCCCC2)C1 ZINC000457745727 560585411 /nfs/dbraw/zinc/58/54/11/560585411.db2.gz KMXKWWGTPMWGNW-UHFFFAOYSA-N 1 0 364.453 2.650 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N(C)C1CCN(OC)CC1)C(C)C ZINC000457750968 560585839 /nfs/dbraw/zinc/58/58/39/560585839.db2.gz OOCRVSIJPSFTMC-SFHVURJKSA-N 1 0 352.523 2.352 20 30 FEEDRO C[NH+](C)CCCOC1CCN(C(=O)NCc2ccc(C#N)c(F)c2)CC1 ZINC000459129560 560668526 /nfs/dbraw/zinc/66/85/26/560668526.db2.gz UVHFPADMVCZADF-UHFFFAOYSA-N 1 0 362.449 2.340 20 30 FEEDRO CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)NCC(C)(C)CC#N ZINC000459231137 560675259 /nfs/dbraw/zinc/67/52/59/560675259.db2.gz GRQPGPDGYCSTGM-HXUWFJFHSA-N 1 0 358.486 2.205 20 30 FEEDRO CC(C)(CC#N)CNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000459257789 560676432 /nfs/dbraw/zinc/67/64/32/560676432.db2.gz KOROTWYWFAFNNR-QZTJIDSGSA-N 1 0 358.486 2.108 20 30 FEEDRO CC(C)[NH+]1CCC(N2CCN(Cc3c(C#N)cccc3[N+](=O)[O-])CC2)CC1 ZINC000459375980 560682926 /nfs/dbraw/zinc/68/29/26/560682926.db2.gz ZFMIIFRVLFRVOH-UHFFFAOYSA-N 1 0 371.485 2.457 20 30 FEEDRO CCCN(CCN1CC[NH+](CC)CC1)C(=O)Nc1snc(C)c1C#N ZINC000459560755 560694064 /nfs/dbraw/zinc/69/40/64/560694064.db2.gz KRAPCAYUCOCOOL-UHFFFAOYSA-N 1 0 364.519 2.205 20 30 FEEDRO C[C@@H](CCCc1cccnc1)[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000459634071 560698903 /nfs/dbraw/zinc/69/89/03/560698903.db2.gz HMICXDHYCXSAKO-HNNXBMFYSA-N 1 0 358.467 2.123 20 30 FEEDRO COc1ccc(C)cc1[C@@H](C)[NH2+]CC(=O)N1CCN([C@H](C#N)C(C)C)CC1 ZINC000459662873 560700882 /nfs/dbraw/zinc/70/08/82/560700882.db2.gz CAFUXWZYKCWQEU-IEBWSBKVSA-N 1 0 372.513 2.347 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1ccccc1C[S@](C)=O ZINC000460243332 560739042 /nfs/dbraw/zinc/73/90/42/560739042.db2.gz VVEOJTSHXDZMFU-DEOSSOPVSA-N 1 0 350.488 2.264 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)NC(C)(C)c2cc(C(=O)OC)on2)CC1 ZINC000460253350 560739535 /nfs/dbraw/zinc/73/95/35/560739535.db2.gz BESKBBFLKCAMAW-UHFFFAOYSA-N 1 0 364.446 2.036 20 30 FEEDRO COc1ccc([C@H](CNC(=O)N[C@@H]2CCC[C@@H]2C#N)[NH+](C)C)cc1OC ZINC000461936802 560788773 /nfs/dbraw/zinc/78/87/73/560788773.db2.gz AWFODCSEOBHYBA-OAGGEKHMSA-N 1 0 360.458 2.298 20 30 FEEDRO CCOc1ccc(N(CCC#N)C(=O)CN(C)[C@H](C)C[S@@](C)=O)cc1 ZINC000467193551 560906041 /nfs/dbraw/zinc/90/60/41/560906041.db2.gz CCZQJUFHUDNMEH-SGANQWHYSA-N 1 0 365.499 2.031 20 30 FEEDRO C=CCN1CC[C@H]([N@H+](C)Cc2ccc(OCc3noc(C)n3)cc2)C1=O ZINC000467522119 560911996 /nfs/dbraw/zinc/91/19/96/560911996.db2.gz UGPHCLFBBDMUMR-KRWDZBQOSA-N 1 0 356.426 2.176 20 30 FEEDRO C[NH+]1CCN(Cc2cccc(C(=O)NCCc3cccc(C#N)c3)c2)CC1 ZINC000467777387 560917107 /nfs/dbraw/zinc/91/71/07/560917107.db2.gz QHDJOXJIFDZAOY-UHFFFAOYSA-N 1 0 362.477 2.278 20 30 FEEDRO C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000469197712 560949696 /nfs/dbraw/zinc/94/96/96/560949696.db2.gz XPLCYXXEAWRJLK-NHCUHLMSSA-N 1 0 371.525 2.244 20 30 FEEDRO COc1cc(C#N)ccc1C[N@H+](C)C[C@@H]1C[C@H](F)CN1Cc1ncccn1 ZINC000470820408 560990618 /nfs/dbraw/zinc/99/06/18/560990618.db2.gz CKHPXJYHVIJWNB-ROUUACIJSA-N 1 0 369.444 2.401 20 30 FEEDRO C[NH+](C)CC[C@@](C)(O)CNC(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000473267817 561046097 /nfs/dbraw/zinc/04/60/97/561046097.db2.gz FWEDEPBYTXZWAC-HXUWFJFHSA-N 1 0 371.437 2.163 20 30 FEEDRO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@H]1CCCN(c2nc(C)ccc2C#N)C1 ZINC000473506723 561051562 /nfs/dbraw/zinc/05/15/62/561051562.db2.gz NOXOYDFCBBZBOG-OALUTQOASA-N 1 0 369.513 2.421 20 30 FEEDRO C=CCOc1ccc(C[NH2+][C@H]2CCCC[C@@H]2NS(C)(=O)=O)cc1OC ZINC000473837151 561058687 /nfs/dbraw/zinc/05/86/87/561058687.db2.gz RGXDBFSBAZHIIY-HOTGVXAUSA-N 1 0 368.499 2.210 20 30 FEEDRO Cc1ccccc1[C@H]([C@H](C)NS(=O)(=O)c1ccc(C#N)nc1)[NH+](C)C ZINC000473937080 561061123 /nfs/dbraw/zinc/06/11/23/561061123.db2.gz OUOBHFWPGBIFMU-KSSFIOAISA-N 1 0 358.467 2.231 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)NC[C@H]1CCCN(C(C)=O)C1)C(C)C ZINC000474053337 561064427 /nfs/dbraw/zinc/06/44/27/561064427.db2.gz CWZIWFIUFAXNTO-MOPGFXCFSA-N 1 0 364.534 2.243 20 30 FEEDRO CCN(CCC[NH+]1CCN(c2cc(C#N)ccn2)CC1)CC(F)(F)F ZINC000475029873 561088232 /nfs/dbraw/zinc/08/82/32/561088232.db2.gz GLMCLJPCJWHWQL-UHFFFAOYSA-N 1 0 355.408 2.350 20 30 FEEDRO CCN(CCC[N@@H+]1CCN(c2nccnc2C#N)C[C@H]1C)CC(F)(F)F ZINC000475037336 561088406 /nfs/dbraw/zinc/08/84/06/561088406.db2.gz CTIOOIDSOZXLFB-CQSZACIVSA-N 1 0 370.423 2.133 20 30 FEEDRO CC1CC[NH+]([C@H](CNC(=O)c2cnn(C)c2C#N)c2ccccc2)CC1 ZINC000475117970 561090845 /nfs/dbraw/zinc/09/08/45/561090845.db2.gz JFPNALKQNZQPKY-LJQANCHMSA-N 1 0 351.454 2.495 20 30 FEEDRO C[C@H](Oc1ccccc1C#N)C(=O)N1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC000476451847 561119851 /nfs/dbraw/zinc/11/98/51/561119851.db2.gz KFAULOVSRBCKLH-FUHWJXTLSA-N 1 0 357.454 2.039 20 30 FEEDRO CCCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](C[C@H](O)COc2ccccc2C#N)C1 ZINC000528358240 562324725 /nfs/dbraw/zinc/32/47/25/562324725.db2.gz KJAORAGAKRYMLY-UHOSZYNNSA-N 1 0 373.497 2.315 20 30 FEEDRO CC[N@@H+]1CC[C@H](N(C)CC#CCN2C(=O)c3ccccc3C2=O)C[C@@H]1C ZINC000528399346 562326840 /nfs/dbraw/zinc/32/68/40/562326840.db2.gz VVWVPUYUAXVJRG-IRXDYDNUSA-N 1 0 353.466 2.091 20 30 FEEDRO O=C1c2ccccc2C(=O)N1CC#CC[N@@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000528420963 562328382 /nfs/dbraw/zinc/32/83/82/562328382.db2.gz MWGNADUIHSNMOM-DLBZAZTESA-N 1 0 352.434 2.035 20 30 FEEDRO Cc1n[nH]cc1C1CC[NH+](CC#CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000528496600 562332363 /nfs/dbraw/zinc/33/23/63/562332363.db2.gz JDTQQZYNMPTQDA-UHFFFAOYSA-N 1 0 362.433 2.197 20 30 FEEDRO N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCCN2c3ccccc3C[C@@H]2C1 ZINC000528504227 562332821 /nfs/dbraw/zinc/33/28/21/562332821.db2.gz NCUILZPTGQOMJW-UXHICEINSA-N 1 0 363.461 2.435 20 30 FEEDRO C[C@H]1CN(CC#CCN2C(=O)c3ccccc3C2=O)CC[N@@H+](C2CCC2)C1 ZINC000528513016 562333334 /nfs/dbraw/zinc/33/33/34/562333334.db2.gz PZMMKZKEFQBANT-KRWDZBQOSA-N 1 0 365.477 2.092 20 30 FEEDRO CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCN(CC#N)CC1 ZINC000528620837 562338701 /nfs/dbraw/zinc/33/87/01/562338701.db2.gz QNBXSRIFDUYHGY-WOJBJXKFSA-N 1 0 354.498 2.202 20 30 FEEDRO N#Cc1ncc(NC(=O)N2CCC(CO[C@H]3CC[NH2+]C3)CC2)cc1Cl ZINC000528695652 562342606 /nfs/dbraw/zinc/34/26/06/562342606.db2.gz SQYZVXOLYDYTOE-AWEZNQCLSA-N 1 0 363.849 2.229 20 30 FEEDRO CC(C)[C@@H]1CN(C(=O)[C@@H](C)n2cnc(C#N)n2)CC[N@@H+]1Cc1ccccc1 ZINC000529806191 562386144 /nfs/dbraw/zinc/38/61/44/562386144.db2.gz ZPFQLSDEQKDNCR-AEFFLSMTSA-N 1 0 366.469 2.080 20 30 FEEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000530026629 562395043 /nfs/dbraw/zinc/39/50/43/562395043.db2.gz MMHQIQMPCRNAQG-MRXNPFEDSA-N 1 0 356.470 2.341 20 30 FEEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+]2C[C@@H](O)C[C@H]2C)c1C#N ZINC000530361211 562408234 /nfs/dbraw/zinc/40/82/34/562408234.db2.gz CBLRFWSQZFVNNM-CJNGLKHVSA-N 1 0 370.453 2.402 20 30 FEEDRO N#Cc1ccc2ncc(C[NH+]3CCC(C(=O)NCC(F)(F)F)CC3)n2c1 ZINC000535073113 562550448 /nfs/dbraw/zinc/55/04/48/562550448.db2.gz ULCKARMQORKIHA-UHFFFAOYSA-N 1 0 365.359 2.096 20 30 FEEDRO N#Cc1cccc(-c2nnc(C[N@H+]3CCCC[C@@H]3[C@H]3CNC(=O)C3)o2)c1 ZINC000535727757 562565669 /nfs/dbraw/zinc/56/56/69/562565669.db2.gz MXIQIPWRMLIFMP-HZPDHXFCSA-N 1 0 351.410 2.099 20 30 FEEDRO C=CCN1C(=O)c2ccc(C(=O)N3CCCC34CC[NH+](C)CC4)cc2C1=O ZINC000536654799 562580399 /nfs/dbraw/zinc/58/03/99/562580399.db2.gz JZYSCWWZQFHENL-UHFFFAOYSA-N 1 0 367.449 2.169 20 30 FEEDRO C=CCNC(=O)CNC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000540866771 562594915 /nfs/dbraw/zinc/59/49/15/562594915.db2.gz SDADRTODHMQJBK-INIZCTEOSA-N 1 0 364.877 2.078 20 30 FEEDRO N#CC1(NC(=O)[C@@H]2CC23CCOCC3)CC[NH+](Cc2ccccc2)CC1 ZINC000540898050 562596037 /nfs/dbraw/zinc/59/60/37/562596037.db2.gz SKPFZGIMJLNYHJ-SFHVURJKSA-N 1 0 353.466 2.478 20 30 FEEDRO N#CCC1CCN(C(=O)C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)CC1 ZINC000541042476 562601085 /nfs/dbraw/zinc/60/10/85/562601085.db2.gz VEUUGVJSRFPGJE-UHFFFAOYSA-N 1 0 368.481 2.416 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cnc3c(c2)CCCC3)CC1 ZINC000541135479 562604122 /nfs/dbraw/zinc/60/41/22/562604122.db2.gz VZONOKNWHRFXNV-UHFFFAOYSA-N 1 0 356.470 2.056 20 30 FEEDRO CCS(=O)(=O)N1CCC(C[NH2+][C@@H](C)c2ccc(C#N)c(F)c2)CC1 ZINC000541767679 562619495 /nfs/dbraw/zinc/61/94/95/562619495.db2.gz IGVUTYNJDLEGMR-ZDUSSCGKSA-N 1 0 353.463 2.410 20 30 FEEDRO COc1cccc(NC(=O)CC[NH+]2CCN(c3cccc(C#N)n3)CC2)c1 ZINC000546209456 562635213 /nfs/dbraw/zinc/63/52/13/562635213.db2.gz HWBJHFWMGIPXBH-UHFFFAOYSA-N 1 0 365.437 2.113 20 30 FEEDRO N#CC1(C[C@H](O)C[NH2+][C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)CCOCC1 ZINC000601968557 567889945 /nfs/dbraw/zinc/88/99/45/567889945.db2.gz ORNWRTQURBRNLB-QGTPRVQTSA-N 1 0 366.408 2.456 20 30 FEEDRO CN(C(=O)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)[C@H]1CCC[C@@H]1C#N ZINC000602062236 567922859 /nfs/dbraw/zinc/92/28/59/567922859.db2.gz JVCKLDXBIORJKR-FHLIZLRMSA-N 1 0 354.454 2.325 20 30 FEEDRO CCNC(=O)COc1cccc(C[NH2+][C@H](C)CC2(C#N)CCOCC2)c1 ZINC000602517611 567986770 /nfs/dbraw/zinc/98/67/70/567986770.db2.gz HQILCTKCGJYILJ-MRXNPFEDSA-N 1 0 359.470 2.390 20 30 FEEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]CCCN1C(=O)c2ccccc2C1=O ZINC000602652279 568005363 /nfs/dbraw/zinc/00/53/63/568005363.db2.gz BZMWUOUJBPFDIL-OAHLLOKOSA-N 1 0 355.438 2.361 20 30 FEEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1CCN(C(=O)COc2ccccc2)C1 ZINC000602659730 568011886 /nfs/dbraw/zinc/01/18/86/568011886.db2.gz WCIGKYVOHIDRKP-QZTJIDSGSA-N 1 0 371.481 2.355 20 30 FEEDRO CN(CC(=O)NCC1(c2ccccc2)CCOCC1)[C@@H]1CCC[C@H]1C#N ZINC000602975426 568035842 /nfs/dbraw/zinc/03/58/42/568035842.db2.gz ASVPGJIRQZHVMQ-PKOBYXMFSA-N 1 0 355.482 2.475 20 30 FEEDRO Cn1cc([C@H]2C[N@H+](C[C@@H](O)COc3ccc(C#N)cc3)CC2(C)C)cn1 ZINC000568468360 568041478 /nfs/dbraw/zinc/04/14/78/568041478.db2.gz VYEUQALHOKRWCE-IEBWSBKVSA-N 1 0 354.454 2.157 20 30 FEEDRO CC[NH+](CC)CCOc1ccc(NC(=O)N2CCN(CCC#N)CC2)cc1 ZINC000602838466 568050839 /nfs/dbraw/zinc/05/08/39/568050839.db2.gz SHHJPKXNKDDFCR-UHFFFAOYSA-N 1 0 373.501 2.470 20 30 FEEDRO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)n1cc(C[C@@H]2CCC[NH2+]C2)nn1 ZINC000603195074 568072547 /nfs/dbraw/zinc/07/25/47/568072547.db2.gz YHWYJURXMGLLPH-ASPXRTSYSA-N 1 0 372.517 2.312 20 30 FEEDRO N#Cc1cnn2c1NC[C@@H](C[NH2+][C@H](CO)c1c(Cl)cccc1Cl)C2 ZINC000568632309 568101055 /nfs/dbraw/zinc/10/10/55/568101055.db2.gz NAOPLFDELDBUDF-QMTHXVAHSA-N 1 0 366.252 2.426 20 30 FEEDRO CCN(CC)C(=O)c1ccc(C[NH2+]Cc2cnc3c(C#N)cnn3c2)cc1 ZINC000568774445 568201219 /nfs/dbraw/zinc/20/12/19/568201219.db2.gz HOQYBRYJCLBZLR-UHFFFAOYSA-N 1 0 362.437 2.373 20 30 FEEDRO Cc1cc(C)n(Cc2ccc(C(=O)NC3(C#N)CC[NH+](C)CC3)cc2)n1 ZINC000604509712 568305950 /nfs/dbraw/zinc/30/59/50/568305950.db2.gz LVSFNFCJLIGBFU-UHFFFAOYSA-N 1 0 351.454 2.266 20 30 FEEDRO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000604541744 568309731 /nfs/dbraw/zinc/30/97/31/568309731.db2.gz IQEARUQTZRPWLH-MOPGFXCFSA-N 1 0 358.461 2.409 20 30 FEEDRO COC(=O)c1ccc(NCCc2ccc(OCC[NH+](C)C)cc2)c(C#N)n1 ZINC000569591017 568408692 /nfs/dbraw/zinc/40/86/92/568408692.db2.gz ROEZICISJOJRAH-UHFFFAOYSA-N 1 0 368.437 2.335 20 30 FEEDRO COc1cc(C#N)ccc1OCC[NH2+][C@@H]1CCC[C@H]2CN(C(C)=O)C[C@H]21 ZINC000570242929 568465496 /nfs/dbraw/zinc/46/54/96/568465496.db2.gz BANJWDCMACDFDQ-RCCFBDPRSA-N 1 0 357.454 2.182 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1NC(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000556636281 674409724 /nfs/dbraw/zinc/40/97/24/674409724.db2.gz GSDJSKRWMKRQHY-CVEARBPZSA-N 1 0 353.532 2.381 20 30 FEEDRO C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)NCC[N@@H+](C)[C@@H](C)CC ZINC000735420938 598430427 /nfs/dbraw/zinc/43/04/27/598430427.db2.gz VTVYEBHJKAXBMH-HNNXBMFYSA-N 1 0 371.489 2.295 20 30 FEEDRO CC(C)(C)C[N@H+](CCC#N)CCC(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000819914085 599638166 /nfs/dbraw/zinc/63/81/66/599638166.db2.gz KPUIPZIECZYDAH-UHFFFAOYSA-N 1 0 355.446 2.457 20 30 FEEDRO C=CCC[C@@H]([NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1ccccc1 ZINC000819734492 607390367 /nfs/dbraw/zinc/39/03/67/607390367.db2.gz PEHTUXSUMQUFMU-WMLDXEAASA-N 1 0 364.457 2.402 20 30 FEEDRO CC[N@@H+]1CCC[C@@H]1CNC(=S)N(C)CCOCc1ccc(C#N)cc1 ZINC000809164555 674485946 /nfs/dbraw/zinc/48/59/46/674485946.db2.gz XSOPSNLRYXIIHR-GOSISDBHSA-N 1 0 360.527 2.365 20 30 FEEDRO N#Cc1ccc([C@H](C(=O)[O-])[NH+]2CCC(CC[NH+]3CCOCC3)CC2)cc1 ZINC000739103898 600566502 /nfs/dbraw/zinc/56/65/02/600566502.db2.gz DGNZKILDFVRNKY-LJQANCHMSA-N 1 0 357.454 2.118 20 30 FEEDRO C#Cc1ccc(C[NH+]2CCC(N(CC(F)(F)F)S(C)(=O)=O)CC2)cc1 ZINC000809576191 674498598 /nfs/dbraw/zinc/49/85/98/674498598.db2.gz QYNJTGUGGZDKJO-UHFFFAOYSA-N 1 0 374.428 2.456 20 30 FEEDRO C[N@H+](CC1CC1)C[C@@H]1CCN(S(=O)(=O)c2ccc(F)c(C#N)c2)C1 ZINC000558681180 674510163 /nfs/dbraw/zinc/51/01/63/674510163.db2.gz HRXOAASFEDJVHY-AWEZNQCLSA-N 1 0 351.447 2.050 20 30 FEEDRO C[C@@H]1CN(Cc2ccccc2C#N)CC[N@@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC000822000344 606178335 /nfs/dbraw/zinc/17/83/35/606178335.db2.gz IZIQPJPJEIXLML-MRXNPFEDSA-N 1 0 373.464 2.445 20 30 FEEDRO C[C@@H]1CN(Cc2cccc(C#N)c2)CC[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC000822000720 606178509 /nfs/dbraw/zinc/17/85/09/606178509.db2.gz VBXOTVWFUNJBRK-MRXNPFEDSA-N 1 0 373.464 2.445 20 30 FEEDRO C=CC[N@H+](Cc1cccc(-c2nn[nH]n2)c1)C[C@H](O)c1ccc(C#N)cc1 ZINC000819745406 606888546 /nfs/dbraw/zinc/88/85/46/606888546.db2.gz BJNAZPCTWHOSNZ-IBGZPJMESA-N 1 0 360.421 2.460 20 30 FEEDRO C[C@@H]([NH2+]CC(=O)N(C)C1(C#N)CCCCC1)c1cccc(-c2nn[nH]n2)c1 ZINC000824555508 608485827 /nfs/dbraw/zinc/48/58/27/608485827.db2.gz WXIHGVDYZHLNAE-CQSZACIVSA-N 1 0 367.457 2.202 20 30 FEEDRO Cc1ccnc(N(CC[NH+](C)C)Cc2ccc(-c3nn[nH]n3)cc2)c1C#N ZINC000826309440 609575934 /nfs/dbraw/zinc/57/59/34/609575934.db2.gz OVFKYUZNNPNOBT-UHFFFAOYSA-N 1 0 362.441 2.010 20 30 FEEDRO COc1ccc([C@H](CCC#N)[NH2+]C[C@@H]2CCCCN2S(C)(=O)=O)cc1 ZINC000560585101 674601314 /nfs/dbraw/zinc/60/13/14/674601314.db2.gz QLDMXRSQTPVMDF-WMZOPIPTSA-N 1 0 365.499 2.444 20 30 FEEDRO CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)OCC(=O)Nc2sccc2C#N)C1 ZINC000811449748 674604829 /nfs/dbraw/zinc/60/48/29/674604829.db2.gz UVNXPBYYBWKCGP-MRXNPFEDSA-N 1 0 353.419 2.314 20 30 FEEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000561004138 674629502 /nfs/dbraw/zinc/62/95/02/674629502.db2.gz ZQKAHOCCEHZIJN-KGLIPLIRSA-N 1 0 360.483 2.074 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N(C)Cc2ccc(F)cc2Cl)CC1 ZINC000561414404 674663889 /nfs/dbraw/zinc/66/38/89/674663889.db2.gz AEMGFKTZGACLCK-UHFFFAOYSA-N 1 0 367.852 2.204 20 30 FEEDRO C=C(C)Cn1c([C@H](C)OCCOC)nnc1N1CC[NH+](CCC)CC1 ZINC000562757047 674802630 /nfs/dbraw/zinc/80/26/30/674802630.db2.gz OVERWDUZTBISMJ-INIZCTEOSA-N 1 0 351.495 2.110 20 30 FEEDRO CC[NH+]1CCC(CNC(=O)C(=O)Nc2ccc(CC#N)cc2Cl)CC1 ZINC000562807162 674811838 /nfs/dbraw/zinc/81/18/38/674811838.db2.gz VBMRTRMNTCGXAA-UHFFFAOYSA-N 1 0 362.861 2.193 20 30 FEEDRO C[C@@H](C[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)Sc1ccccc1 ZINC000562989868 674831653 /nfs/dbraw/zinc/83/16/53/674831653.db2.gz AMRRBLSFGJPILS-AWEZNQCLSA-N 1 0 361.492 2.497 20 30 FEEDRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1 ZINC000563448252 674890384 /nfs/dbraw/zinc/89/03/84/674890384.db2.gz RYKMOASVRRVQOL-CYBMUJFWSA-N 1 0 362.861 2.387 20 30 FEEDRO C#CCNC(=O)CC[N@@H+](CCC)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000815062227 674909382 /nfs/dbraw/zinc/90/93/82/674909382.db2.gz QCTWQZHQQFRJQJ-UHFFFAOYSA-N 1 0 351.491 2.237 20 30 FEEDRO C=CCOc1cccc(C[N@H+]2CCC[C@H](CN(C)S(C)(=O)=O)C2)c1 ZINC000564312569 674993864 /nfs/dbraw/zinc/99/38/64/674993864.db2.gz OPACVHGZCQZJTG-QGZVFWFLSA-N 1 0 352.500 2.355 20 30 FEEDRO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)CCN1c1nc(C#N)c(Cl)s1 ZINC001048586730 675011346 /nfs/dbraw/zinc/01/13/46/675011346.db2.gz BAPKTWRZYQGLCT-UHTWSYAYSA-N 1 0 367.906 2.236 20 30 FEEDRO CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)CCN1c1snc(C)c1C#N ZINC001049082091 675022633 /nfs/dbraw/zinc/02/26/33/675022633.db2.gz MRLAWTJDOHRLEP-ARFHVFGLSA-N 1 0 361.515 2.281 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]C[C@H](O)COc1c(OC)cccc1OC ZINC000564862754 675069864 /nfs/dbraw/zinc/06/98/64/675069864.db2.gz GDZXYUYRBHGORF-VKJFTORMSA-N 1 0 351.443 2.014 20 30 FEEDRO C[NH+](C)CCCNC(=O)C(=O)Nc1cccc(C#Cc2cccs2)c1 ZINC000048606105 670269435 /nfs/dbraw/zinc/26/94/35/670269435.db2.gz UUVVGWAEMOHTAD-UHFFFAOYSA-N 1 0 355.463 2.154 20 30 FEEDRO C[NH+]=C(NCc1scnc1C)N1CCN(c2cccc(OC)c2)CC1 ZINC000073756946 670506523 /nfs/dbraw/zinc/50/65/23/670506523.db2.gz TWVKINHAKBYULM-UHFFFAOYSA-N 1 0 359.499 2.358 20 30 FEEDRO C[NH+]=C(NCCn1ccnc1)N(C)Cc1ccc(Br)cc1 ZINC000073761547 670506542 /nfs/dbraw/zinc/50/65/42/670506542.db2.gz PBNUXEKCNGOGSP-UHFFFAOYSA-N 1 0 350.264 2.353 20 30 FEEDRO N#Cc1cc(Br)cc(S(=O)(=O)NCCC[C@@H]2CCC[NH2+]2)c1 ZINC000565363538 675115234 /nfs/dbraw/zinc/11/52/34/675115234.db2.gz IKBSQPXAMHIJOZ-ZDUSSCGKSA-N 1 0 372.288 2.131 20 30 FEEDRO C[C@H]1CC[N@H+](CC(=O)N2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)C1 ZINC000570739126 670761958 /nfs/dbraw/zinc/76/19/58/670761958.db2.gz QWCYZKBDYGTJES-YJBOKZPZSA-N 1 0 360.889 2.391 20 30 FEEDRO C[NH+]=C(NCCS(=O)(=O)c1ccccc1)N1CCc2ccccc2C1 ZINC000103888512 670788292 /nfs/dbraw/zinc/78/82/92/670788292.db2.gz ICMALJAGYHRANZ-UHFFFAOYSA-N 1 0 357.479 2.094 20 30 FEEDRO [NH2+]=C(NCc1cc(Br)ccc1OC(F)F)N1CCOCC1 ZINC000104191052 670791184 /nfs/dbraw/zinc/79/11/84/670791184.db2.gz ICYYHESIMSGZFM-UHFFFAOYSA-N 1 0 364.190 2.197 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H]2C[C@H]2c2ccc(Cl)s2)c1C#N ZINC000571262563 670844396 /nfs/dbraw/zinc/84/43/96/670844396.db2.gz UHPHBHNEFFMDTM-NXEZZACHSA-N 1 0 363.874 2.890 20 30 FEEDRO Cc1c2cc(C#N)ccc2sc1C(=O)NC[C@]1(O)C[NH+]2CCC1CC2 ZINC000571297419 670852019 /nfs/dbraw/zinc/85/20/19/670852019.db2.gz KGIAGXOLGGZKDV-IBGZPJMESA-N 1 0 355.463 2.268 20 30 FEEDRO C=CCn1c(C2CC2)nn(CN2CC[NH+](CCOCC)CC2)c1=S ZINC000111164243 670854622 /nfs/dbraw/zinc/85/46/22/670854622.db2.gz PRDCMPJGTBVPFL-UHFFFAOYSA-N 1 0 351.520 2.089 20 30 FEEDRO COc1ccc(Cl)cc1NC(=O)CON=C(N)C[N@@H+]1CCCC[C@@H]1C ZINC000111179243 670855685 /nfs/dbraw/zinc/85/56/85/670855685.db2.gz GCLKZUHPNCGDDK-LBPRGKRZSA-N 1 0 368.865 2.450 20 30 FEEDRO C[C@@H](C[NH2+]C[C@@H](O)CN(C)CCC#N)Oc1ccc(Br)cc1 ZINC000571908781 670939492 /nfs/dbraw/zinc/93/94/92/670939492.db2.gz DLYSJAGXWOUFGU-DZGCQCFKSA-N 1 0 370.291 2.012 20 30 FEEDRO C[C@@H]([NH3+])C1CCN(S(=O)(=O)c2ccc(C#N)c(Br)c2)CC1 ZINC000573323117 671109209 /nfs/dbraw/zinc/10/92/09/671109209.db2.gz WZFLUJOLLPNABZ-SNVBAGLBSA-N 1 0 372.288 2.069 20 30 FEEDRO CC(C)(C)c1cc(C#N)c(NC(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)s1 ZINC000574055966 671197668 /nfs/dbraw/zinc/19/76/68/671197668.db2.gz PAMVTVUJNJPBAT-SFHVURJKSA-N 1 0 360.483 2.068 20 30 FEEDRO C=C(C)COCC[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000566115659 675182355 /nfs/dbraw/zinc/18/23/55/675182355.db2.gz KWRXCYHPLGMRFT-UHFFFAOYSA-N 1 0 362.289 2.405 20 30 FEEDRO CCN(CCC[NH2+][C@@H](CCC#N)c1ccc(OC)cc1)S(C)(=O)=O ZINC000574479102 671244923 /nfs/dbraw/zinc/24/49/23/671244923.db2.gz FGAXOYAJADEUFB-KRWDZBQOSA-N 1 0 353.488 2.301 20 30 FEEDRO CC(C)(CCC#N)CN(CC[NH3+])c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000577681292 671612949 /nfs/dbraw/zinc/61/29/49/671612949.db2.gz OYPUTYMBQOKLKL-UHFFFAOYSA-N 1 0 368.459 2.093 20 30 FEEDRO C[N@@H+]1CCN(C(=O)COc2cccc(Br)c2C#N)CC1(C)C ZINC000578024809 671635918 /nfs/dbraw/zinc/63/59/18/671635918.db2.gz FUMXNYNAIUDRHN-UHFFFAOYSA-N 1 0 366.259 2.252 20 30 FEEDRO N#Cc1ccc(NC(=O)C(=O)N2CCC3(CC[NH2+]CC3)CC2)c(Cl)c1 ZINC000578304374 671655284 /nfs/dbraw/zinc/65/52/84/671655284.db2.gz DZWZRYDSHNMDLY-UHFFFAOYSA-N 1 0 360.845 2.142 20 30 FEEDRO C[C@H]1C[C@@H](NS(=O)(=O)c2cccc(Br)c2C#N)CC[N@@H+]1C ZINC000578460578 671667102 /nfs/dbraw/zinc/66/71/02/671667102.db2.gz SKXGGJLOCKDQNY-QWRGUYRKSA-N 1 0 372.288 2.082 20 30 FEEDRO CN(CCC#N)C[C@@H](O)C[NH2+][C@@H]1CCOc2c(Br)cccc21 ZINC000578620108 671677773 /nfs/dbraw/zinc/67/77/73/671677773.db2.gz OVZFMJPDMIQBRO-SWLSCSKDSA-N 1 0 368.275 2.069 20 30 FEEDRO N#CCC[C@H](C#N)C[NH2+]C1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000581095815 671862979 /nfs/dbraw/zinc/86/29/79/671862979.db2.gz DJUUKLAVYYUPOY-QGZVFWFLSA-N 1 0 360.483 2.014 20 30 FEEDRO C[NH+](C)[C@H]1CCC[C@@H]1NS(=O)(=O)c1cccc(Br)c1C#N ZINC000582065786 671964679 /nfs/dbraw/zinc/96/46/79/671964679.db2.gz DWDMHYVXYFFPLS-STQMWFEESA-N 1 0 372.288 2.082 20 30 FEEDRO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)CCCNC(=O)OC(C)(C)C ZINC000125198327 672008064 /nfs/dbraw/zinc/00/80/64/672008064.db2.gz VEXCHHGRZIBKND-RDTXWAMCSA-N 1 0 354.495 2.276 20 30 FEEDRO CC(C)(C)OC(=O)N1CCN2C(NC[C@@]3(C)CCCS3)=[NH+]C[C@H]2C1 ZINC000129052779 672056781 /nfs/dbraw/zinc/05/67/81/672056781.db2.gz LWAWSQIFKREIJO-SUMWQHHRSA-N 1 0 354.520 2.153 20 30 FEEDRO N#Cc1cncc(S(=O)(=O)NC[C@H]2CCC[N@@H+]2CC2CCCCC2)c1 ZINC000583662664 672115141 /nfs/dbraw/zinc/11/51/41/672115141.db2.gz ORLOOSORGVCVAH-QGZVFWFLSA-N 1 0 362.499 2.276 20 30 FEEDRO CC[NH+]=C(NCCOc1ccc(Cl)cn1)N1CC[C@]2(CCOC2)C1 ZINC000157970281 672264436 /nfs/dbraw/zinc/26/44/36/672264436.db2.gz PZKLHSANZSUYDV-KRWDZBQOSA-N 1 0 352.866 2.192 20 30 FEEDRO Cc1ncsc1-c1nc(CON=C(N)c2ccc3c(c2)CCO3)no1 ZINC000158227101 672267168 /nfs/dbraw/zinc/26/71/68/672267168.db2.gz CCCCQPWZMLJKKO-UHFFFAOYSA-N 1 0 357.395 2.274 20 30 FEEDRO CCN(CC)C(=[NH2+])NCc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000170914675 672327008 /nfs/dbraw/zinc/32/70/08/672327008.db2.gz OQYDWGUGHBRLGG-UHFFFAOYSA-N 1 0 351.252 2.391 20 30 FEEDRO COc1ccccc1CNC(=[NH2+])NCCc1csc(N2CCCC2)n1 ZINC000178576809 672392580 /nfs/dbraw/zinc/39/25/80/672392580.db2.gz JPQWNNJJUZDQDW-UHFFFAOYSA-N 1 0 359.499 2.399 20 30 FEEDRO C[NH+]=C(NCc1nc(C)c(C)s1)N1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000179094575 672398902 /nfs/dbraw/zinc/39/89/02/672398902.db2.gz VSOYPWLGBJOCEY-CYBMUJFWSA-N 1 0 352.504 2.499 20 30 FEEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@H]2CCCS(=O)(=O)C2)ccc1OC ZINC000183256737 672463814 /nfs/dbraw/zinc/46/38/14/672463814.db2.gz MDGZSQVUOGIBTG-LSDHHAIUSA-N 1 0 352.456 2.043 20 30 FEEDRO COC(=O)C(C)(C)[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000611320350 676032042 /nfs/dbraw/zinc/03/20/42/676032042.db2.gz HABZGKHUZSHOEM-KHYOSLBOSA-N 1 0 351.491 2.341 20 30 FEEDRO N#C[C@H](c1cccs1)N1CCN(C(=O)C[N@H+]2CC[C@@H](C(F)F)C2)CC1 ZINC000611432664 676036811 /nfs/dbraw/zinc/03/68/11/676036811.db2.gz JRSHRXLJMNDPQL-ZIAGYGMSSA-N 1 0 368.453 2.044 20 30 FEEDRO N#C[C@H](c1cccs1)N1CCN(C(=O)C[N@H+]2CC[C@H](C(F)F)C2)CC1 ZINC000611432663 676036879 /nfs/dbraw/zinc/03/68/79/676036879.db2.gz JRSHRXLJMNDPQL-UONOGXRCSA-N 1 0 368.453 2.044 20 30 FEEDRO CC[C@@H]1CN(C(=O)C(=O)Nc2scc(C(C)(C)C)c2C#N)CC[C@H]1[NH3+] ZINC000591303867 672667731 /nfs/dbraw/zinc/66/77/31/672667731.db2.gz FLNSTIVMZRVKON-BXUZGUMPSA-N 1 0 362.499 2.442 20 30 FEEDRO Cc1nsc(N2CCN(C(=O)Nc3cccc(C[NH3+])c3)CC2)c1C#N ZINC000591309815 672668415 /nfs/dbraw/zinc/66/84/15/672668415.db2.gz IXTQEXJQIWFZEA-UHFFFAOYSA-N 1 0 356.455 2.136 20 30 FEEDRO N#CCN1CCC([NH2+]C[C@@H](O)COc2cccc(C(F)(F)F)c2)CC1 ZINC000591736359 672706485 /nfs/dbraw/zinc/70/64/85/672706485.db2.gz PPUJBHFEZAAEIP-OAHLLOKOSA-N 1 0 357.376 2.023 20 30 FEEDRO N#Cc1cc(S(=O)(=O)NC2CC[NH+](CC3CC3)CC2)ccc1Cl ZINC000193907622 672740578 /nfs/dbraw/zinc/74/05/78/672740578.db2.gz LHTBXPSUKVPGQT-UHFFFAOYSA-N 1 0 353.875 2.364 20 30 FEEDRO C[N@H+]1C[C@@H](c2ccccc2)[C@H](CNS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000592089451 672752705 /nfs/dbraw/zinc/75/27/05/672752705.db2.gz UMOYWNFFZKWZTC-MJGOQNOKSA-N 1 0 355.463 2.182 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC(NC(=O)CCC)CC2)CC1 ZINC000592301937 672783205 /nfs/dbraw/zinc/78/32/05/672783205.db2.gz FTNGQXIROZWDTK-UHFFFAOYSA-N 1 0 350.507 2.117 20 30 FEEDRO CC[C@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)CC[C@H]1[NH3+] ZINC000592381854 672794852 /nfs/dbraw/zinc/79/48/52/672794852.db2.gz HUYANKWYFDCBOS-IINYFYTJSA-N 1 0 361.389 2.325 20 30 FEEDRO COCC[N@@H+]1CCN(CC(=O)Nc2cc(Cl)ccc2C#N)C(C)(C)C1 ZINC000593102367 672876722 /nfs/dbraw/zinc/87/67/22/672876722.db2.gz ZUTSWECWNQZVGV-UHFFFAOYSA-N 1 0 364.877 2.193 20 30 FEEDRO C[NH+]=C(NCc1cnc(C)s1)N[C@@H]1CCN(c2ncccc2Cl)C1 ZINC000261651814 672900926 /nfs/dbraw/zinc/90/09/26/672900926.db2.gz ABZGCYCKIHFFPK-GFCCVEGCSA-N 1 0 364.906 2.444 20 30 FEEDRO CC(C)[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N1CC[C@H](C)C2(CCC2)C1 ZINC000262343830 672913909 /nfs/dbraw/zinc/91/39/09/672913909.db2.gz CZQLVYVQKWPKDM-HOTGVXAUSA-N 1 0 355.548 2.287 20 30 FEEDRO CC(C)[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N[C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC000262341785 672913916 /nfs/dbraw/zinc/91/39/16/672913916.db2.gz CSEWBNAXJDQBAT-LUKYLMHMSA-N 1 0 355.548 2.334 20 30 FEEDRO CCO[C@@H]1C[C@@H](NC(=[NH+]C)N2CCC(C(=O)OC)CC2)C12CCCC2 ZINC000262367435 672914188 /nfs/dbraw/zinc/91/41/88/672914188.db2.gz HZXFIDCULKLLDR-HZPDHXFCSA-N 1 0 351.491 2.185 20 30 FEEDRO C[NH+]=C(NC[C@](C)(O)c1ccsc1)N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000262391936 672914653 /nfs/dbraw/zinc/91/46/53/672914653.db2.gz MIMVDFLDKLUYQY-KRXQYRFLSA-N 1 0 351.516 2.324 20 30 FEEDRO CCC[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N1CC[C@@H](C)C2(CCC2)C1 ZINC000262382690 672914816 /nfs/dbraw/zinc/91/48/16/672914816.db2.gz KRPFCMYYRXUSEW-CVEARBPZSA-N 1 0 355.548 2.289 20 30 FEEDRO C=C(C)CNC(=[NH+]C[C@@H]1CCS(=O)(=O)C1)N1CCS[C@H](C(C)C)C1 ZINC000262455687 672916379 /nfs/dbraw/zinc/91/63/79/672916379.db2.gz WTTFDNXZKWFOEB-HOTGVXAUSA-N 1 0 373.588 2.016 20 30 FEEDRO CCc1cccc(NC(=[NH2+])NC[C@H]2CCCC[C@@H]2NS(C)(=O)=O)c1 ZINC000262687905 672919040 /nfs/dbraw/zinc/91/90/40/672919040.db2.gz ZEGIURVSSIGPLG-ZBFHGGJFSA-N 1 0 352.504 2.084 20 30 FEEDRO CS(=O)(=O)N1CCCC[C@H]1CNC(=[NH2+])Nc1cccc2c1CCCC2 ZINC000262670195 672919265 /nfs/dbraw/zinc/91/92/65/672919265.db2.gz QPGUSNIFOJZTKL-HNNXBMFYSA-N 1 0 364.515 2.106 20 30 FEEDRO C[NH+]=C(NCc1cc(F)ccc1SC)N[C@H]1CCc2nc(C)nn2C1 ZINC000262768670 672920428 /nfs/dbraw/zinc/92/04/28/672920428.db2.gz IDLOXNKFHZOLOK-AWEZNQCLSA-N 1 0 362.478 2.128 20 30 FEEDRO C[NH+](C)C[C@H]1CCN(C(=O)Cc2ccc(Br)cc2C#N)C1 ZINC000593469466 672927898 /nfs/dbraw/zinc/92/78/98/672927898.db2.gz WHARWUAVOIYEHJ-GFCCVEGCSA-N 1 0 350.260 2.273 20 30 FEEDRO C[NH+](C)CCN(Cc1cccs1)S(=O)(=O)c1ccsc1C#N ZINC000593560586 672943436 /nfs/dbraw/zinc/94/34/36/672943436.db2.gz TUYGJGZKCSFOEZ-UHFFFAOYSA-N 1 0 355.510 2.434 20 30 FEEDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)Cc1ccc(Br)cc1C#N ZINC000593572960 672947280 /nfs/dbraw/zinc/94/72/80/672947280.db2.gz QZELZPHDPLQFNW-VXGBXAGGSA-N 1 0 350.260 2.414 20 30 FEEDRO C#CCCS(=O)(=O)NC[C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000289086995 672988187 /nfs/dbraw/zinc/98/81/87/672988187.db2.gz GKVKQXTWOJXTTD-CJNGLKHVSA-N 1 0 358.866 2.415 20 30 FEEDRO Cc1ccc(S(=O)(=O)NCCNC(=[NH2+])N[C@@H](C)CCCC(C)C)cc1 ZINC000303789776 673017896 /nfs/dbraw/zinc/01/78/96/673017896.db2.gz VSUGCRAXTKAEOI-INIZCTEOSA-N 1 0 368.547 2.392 20 30 FEEDRO C[C@H]1CCCN(C(=[NH2+])NCCNC(=O)c2cccc(Br)c2)C1 ZINC000303974268 673019348 /nfs/dbraw/zinc/01/93/48/673019348.db2.gz HVRAEDHFZXMFAU-LBPRGKRZSA-N 1 0 367.291 2.226 20 30 FEEDRO [NH2+]=C(NCCCN1CCCC1=O)NCc1ccc(OC(F)(F)F)cc1 ZINC000304516475 673020143 /nfs/dbraw/zinc/02/01/43/673020143.db2.gz ZIKDDQNQMWUIKO-UHFFFAOYSA-N 1 0 358.364 2.002 20 30 FEEDRO CS(=O)(=O)NCCCNC(=[NH2+])Nc1cccc(Oc2ccccc2)c1 ZINC000304504876 673020265 /nfs/dbraw/zinc/02/02/65/673020265.db2.gz QQOHKPYFBVCLMI-UHFFFAOYSA-N 1 0 362.455 2.145 20 30 FEEDRO Cc1nc(CNC(=[NH2+])N2CCN(C(=O)OC(C)(C)C)CC2)sc1C ZINC000304740937 673020284 /nfs/dbraw/zinc/02/02/84/673020284.db2.gz BYECMIBFXJPYRQ-UHFFFAOYSA-N 1 0 353.492 2.127 20 30 FEEDRO CC1CCN(C(=[NH2+])NC[C@@H](O)COc2ccccc2Br)CC1 ZINC000305084519 673021475 /nfs/dbraw/zinc/02/14/75/673021475.db2.gz SSCDAVAWTFGMAY-CYBMUJFWSA-N 1 0 370.291 2.235 20 30 FEEDRO CO[C@H]1C[C@@H](C(=O)N[C@H]2CCN(c3ccccc3Cl)C2=O)N(C)C1 ZINC000329012995 673071181 /nfs/dbraw/zinc/07/11/81/673071181.db2.gz IXBONTOWKHQAIO-WHOFXGATSA-N 1 0 351.834 2.121 20 30 FEEDRO COc1ccc(Cl)cc1N1CC[C@@H](NC(=O)[C@H]([NH3+])CCCCC#N)C1 ZINC000594435946 673071693 /nfs/dbraw/zinc/07/16/93/673071693.db2.gz BJCRYVXZFLLNLF-HUUCEWRRSA-N 1 0 364.877 2.455 20 30 FEEDRO CC[C@@H](C)NS(=O)(=O)c1cccc(NC(=O)[C@@H]([NH3+])CCCCC#N)c1 ZINC000594445589 673073009 /nfs/dbraw/zinc/07/30/09/673073009.db2.gz IJEDLGUMIMBZAW-CJNGLKHVSA-N 1 0 366.487 2.113 20 30 FEEDRO CC[C@H](C)[C@H](NC(=O)N1CCCC1)C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000329751288 673083074 /nfs/dbraw/zinc/08/30/74/673083074.db2.gz ITJRMBRGTYLVRY-YVSFHVDLSA-N 1 0 350.507 2.106 20 30 FEEDRO CC(C)C[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)NC1C[C@H](C)C[C@H](C)C1 ZINC000330363120 673088248 /nfs/dbraw/zinc/08/82/48/673088248.db2.gz CSHIQXDNDGGIGO-TVXGVJEUSA-N 1 0 357.564 2.437 20 30 FEEDRO N#CC1(c2ccc(C[NH2+][C@@H]3CCO[C@]4(CCS(=O)(=O)C4)C3)cc2)CC1 ZINC000594935463 673178884 /nfs/dbraw/zinc/17/88/84/673178884.db2.gz PPERRUORDWQXMV-IEBWSBKVSA-N 1 0 360.479 2.068 20 30 FEEDRO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000595112601 673195372 /nfs/dbraw/zinc/19/53/72/673195372.db2.gz VQTKJWCTUDUHTC-UKRRQHHQSA-N 1 0 361.492 2.454 20 30 FEEDRO N#CCCC[C@@H]([NH3+])C(=O)N1CCOC[C@@H]1c1ccc(Br)cc1 ZINC000595256004 673214239 /nfs/dbraw/zinc/21/42/39/673214239.db2.gz IQRBPDZPWRQPDS-HUUCEWRRSA-N 1 0 366.259 2.370 20 30 FEEDRO N#C[C@]1(F)CCN(C(=O)N[C@H]2C[NH2+]CC[C@H]2c2ccc(F)c(F)c2)C1 ZINC000595269539 673215573 /nfs/dbraw/zinc/21/55/73/673215573.db2.gz CJWZVUCGEVGUHE-YLQAJVPDSA-N 1 0 352.360 2.057 20 30 FEEDRO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCC[C@@H](N2CCOCC2)CC1 ZINC000595469321 673254890 /nfs/dbraw/zinc/25/48/90/673254890.db2.gz FLLHZERJNGSYFD-MRXNPFEDSA-N 1 0 362.499 2.135 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)NCCN(C)C(=O)OC(C)(C)C)CC1 ZINC000730026379 673258106 /nfs/dbraw/zinc/25/81/06/673258106.db2.gz ZPYDCRDFOOUZCK-UHFFFAOYSA-N 1 0 354.495 2.193 20 30 FEEDRO CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+]CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000595630717 673276279 /nfs/dbraw/zinc/27/62/79/673276279.db2.gz BHWXFBVMVDMGON-MJEQTWJJSA-N 1 0 365.861 2.306 20 30 FEEDRO CC(C)([NH2+]CC(=O)NC(=O)NCc1cccs1)c1cccc(C#N)c1 ZINC000595635520 673277148 /nfs/dbraw/zinc/27/71/48/673277148.db2.gz LQMJGRNKMXTVOC-UHFFFAOYSA-N 1 0 356.451 2.470 20 30 FEEDRO C=C(C)C[NH+]1CCC(Nc2ccc(S(=O)(=O)NCC3CC3)cn2)CC1 ZINC000462828770 673284659 /nfs/dbraw/zinc/28/46/59/673284659.db2.gz PXNIHFVVVIAJHW-UHFFFAOYSA-N 1 0 364.515 2.222 20 30 FEEDRO C[C@H](c1ccccc1)[C@@H](CO)[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000613389983 676127081 /nfs/dbraw/zinc/12/70/81/676127081.db2.gz OMMWELGWFBFQPW-DNVCBOLYSA-N 1 0 358.463 2.086 20 30 FEEDRO C=CC[C@@]1(C(=O)N2CCC[C@@H](c3ncc(C(=O)OC)s3)C2)CCC[NH2+]1 ZINC000595992660 673346033 /nfs/dbraw/zinc/34/60/33/673346033.db2.gz HIPITSNDQPQCOI-ACJLOTCBSA-N 1 0 363.483 2.334 20 30 FEEDRO C=C(C)[C@H](CC(=O)N1CCN(C2CC[NH+](C(C)C)CC2)CC1)OCC ZINC000535941349 673356283 /nfs/dbraw/zinc/35/62/83/673356283.db2.gz CEIMSHKEXVYDKB-IBGZPJMESA-N 1 0 351.535 2.375 20 30 FEEDRO Cn1c(Sc2nc3ncccc3cc2C#N)nnc1[C@@H]1CCC[NH2+]C1 ZINC000596130958 673361954 /nfs/dbraw/zinc/36/19/54/673361954.db2.gz IODIXXZQKCLZHH-GFCCVEGCSA-N 1 0 351.439 2.248 20 30 FEEDRO C[NH+]1CCC(N2CC[C@@H](NC(=O)c3ccccc3SCC#N)C2)CC1 ZINC000732782323 673381968 /nfs/dbraw/zinc/38/19/68/673381968.db2.gz XEJNLYYLSWFUJR-OAHLLOKOSA-N 1 0 358.511 2.201 20 30 FEEDRO C=CCOc1ccc(C[NH2+][C@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)cc1 ZINC000537385875 673387131 /nfs/dbraw/zinc/38/71/31/673387131.db2.gz RIOQSGIOGWGFLE-WMZOPIPTSA-N 1 0 351.468 2.077 20 30 FEEDRO C[C@@H]([NH2+]C1CCN(S(=O)(=O)C2CC2)CC1)c1ccc(C#N)c(F)c1 ZINC000537407303 673388008 /nfs/dbraw/zinc/38/80/08/673388008.db2.gz OAJIQJXEYHBNNJ-GFCCVEGCSA-N 1 0 351.447 2.305 20 30 FEEDRO C=CCNC(=O)NC(=O)C[NH2+][C@@H](C)c1ccc(SCCOC)cc1 ZINC000538205481 673426461 /nfs/dbraw/zinc/42/64/61/673426461.db2.gz JDPLVGLXZOFZQQ-ZDUSSCGKSA-N 1 0 351.472 2.088 20 30 FEEDRO CCS(=O)(=O)C[C@@H](C)[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000538218479 673427480 /nfs/dbraw/zinc/42/74/80/673427480.db2.gz ZKGFXUDUMIDICE-UKRRQHHQSA-N 1 0 353.463 2.079 20 30 FEEDRO C=CCC[C@@H]([NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000539069847 673472610 /nfs/dbraw/zinc/47/26/10/673472610.db2.gz BDYOOIGINZBDRV-MRXNPFEDSA-N 1 0 353.444 2.208 20 30 FEEDRO C[C@@H]([NH2+]C[C@H](O)CS(=O)(=O)c1cccs1)c1ccc(C#N)c(F)c1 ZINC000539606752 673498352 /nfs/dbraw/zinc/49/83/52/673498352.db2.gz NZAMWKCRBXOSBP-RISCZKNCSA-N 1 0 368.455 2.244 20 30 FEEDRO C[C@H](CCNC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)[NH+](C)C ZINC000597994068 673527881 /nfs/dbraw/zinc/52/78/81/673527881.db2.gz XQJSGRGCIKWQAX-OCCSQVGLSA-N 1 0 362.861 2.021 20 30 FEEDRO COCCCOCC[N@H+](C)[C@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000540245480 673531265 /nfs/dbraw/zinc/53/12/65/673531265.db2.gz VNVYXPOOXPHZDZ-TVRKMHQQSA-N 1 0 353.507 2.291 20 30 FEEDRO CC(C)(C#N)C[C@@H](O)C[NH2+]C[C@H](CO)Cc1ccc(Br)cc1 ZINC000598730121 673603994 /nfs/dbraw/zinc/60/39/94/673603994.db2.gz QZARPEZBJSRVBH-GDBMZVCRSA-N 1 0 369.303 2.490 20 30 FEEDRO CCC[C@]1(C(=O)OCC)CCC[N@@H+]1C[C@H](O)CC1(C#N)CCOCC1 ZINC000599386714 673667484 /nfs/dbraw/zinc/66/74/84/673667484.db2.gz WNYUPPKXNODASW-VQIMIIECSA-N 1 0 352.475 2.256 20 30 FEEDRO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)[C@H]1C[C@@H](C(N)=O)C1 ZINC000599645721 673701648 /nfs/dbraw/zinc/70/16/48/673701648.db2.gz UQSQXCFHJOTVRP-TXEJJXNPSA-N 1 0 360.483 2.023 20 30 FEEDRO COC[C@@]1(C)C[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)CCO1 ZINC000599691441 673706972 /nfs/dbraw/zinc/70/69/72/673706972.db2.gz BWCKPCBWUXXRDG-QGZVFWFLSA-N 1 0 351.834 2.278 20 30 FEEDRO N#CCc1ccc(CNC(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1 ZINC000599925257 673728130 /nfs/dbraw/zinc/72/81/30/673728130.db2.gz VDLBUTGMTHEMDY-LSDHHAIUSA-N 1 0 354.376 2.421 20 30 FEEDRO N#CC1(C[C@@H](O)C[NH2+]Cc2cc(Cl)c3c(c2)OCCO3)CCOCC1 ZINC000600717018 673793849 /nfs/dbraw/zinc/79/38/49/673793849.db2.gz IHEHENDYQDPZLL-CQSZACIVSA-N 1 0 366.845 2.272 20 30 FEEDRO N#CC1(C[C@@H](O)C[NH2+]C[C@H](c2cccc(Cl)c2)N2CCOCC2)CC1 ZINC000600721591 673794363 /nfs/dbraw/zinc/79/43/63/673794363.db2.gz CLHWIKBYLMXCHA-QZTJIDSGSA-N 1 0 363.889 2.358 20 30 FEEDRO CCC[C@H]([NH2+]C[C@@H](O)CC1(C#N)CC1)C(=O)N1CCc2sccc2C1 ZINC000600723428 673794849 /nfs/dbraw/zinc/79/48/49/673794849.db2.gz OEENXLLCESNNEC-HOTGVXAUSA-N 1 0 361.511 2.446 20 30 FEEDRO N#CC1(C[C@@H](O)C[NH2+]CCc2cc(C(F)(F)F)ccn2)CCOCC1 ZINC000600739531 673795454 /nfs/dbraw/zinc/79/54/54/673795454.db2.gz QGXIQOGNPRBQTE-OAHLLOKOSA-N 1 0 357.376 2.304 20 30 FEEDRO N#CC1(C[C@H](O)C[NH2+]C[C@H](O)COc2cccc(C(F)(F)F)c2)CC1 ZINC000600745499 673795880 /nfs/dbraw/zinc/79/58/80/673795880.db2.gz RHYFBRVWXKRJTN-KBPBESRZSA-N 1 0 358.360 2.089 20 30 FEEDRO C[NH+](C)C[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1CC#N ZINC000601312695 673841333 /nfs/dbraw/zinc/84/13/33/673841333.db2.gz NEZOEYUHECSLES-SFHVURJKSA-N 1 0 357.479 2.204 20 30 FEEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)S(=O)(=O)CCC(C)(F)F ZINC000601321574 673842389 /nfs/dbraw/zinc/84/23/89/673842389.db2.gz OPFQRWAWLIWIDO-UHFFFAOYSA-N 1 0 359.442 2.297 20 30 FEEDRO Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000601340231 673844834 /nfs/dbraw/zinc/84/48/34/673844834.db2.gz NOUOIGXZPJBWKN-MRXNPFEDSA-N 1 0 351.447 2.255 20 30 FEEDRO Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000601421384 673859616 /nfs/dbraw/zinc/85/96/16/673859616.db2.gz FRVYBTDLHDFPSY-KRWDZBQOSA-N 1 0 351.447 2.112 20 30 FEEDRO N#Cc1ccc(OC2CCC([NH2+][C@H]3CCCS(=O)(=O)CC3)CC2)nc1 ZINC000602015824 673900983 /nfs/dbraw/zinc/90/09/83/673900983.db2.gz RJJYYKYBNOBXHD-GTPINHCMSA-N 1 0 363.483 2.200 20 30 FEEDRO C[NH2+]C(C)(C)c1cn([C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)nn1 ZINC000603204271 673919057 /nfs/dbraw/zinc/91/90/57/673919057.db2.gz UNYPQHDLKGGSMK-SNVBAGLBSA-N 1 0 358.471 2.354 20 30 FEEDRO N#Cc1cc(NC2CC[NH+]([C@H]3CCOC3)CC2)ncc1Br ZINC000603316029 673924688 /nfs/dbraw/zinc/92/46/88/673924688.db2.gz CACZTVABPGHNLU-ZDUSSCGKSA-N 1 0 351.248 2.381 20 30 FEEDRO C[C@@H](CCNc1ccc(C#N)cc1CS(N)(=O)=O)[NH+]1CCCCC1 ZINC000603332692 673925197 /nfs/dbraw/zinc/92/51/97/673925197.db2.gz CKYHOCYHSHGTMC-AWEZNQCLSA-N 1 0 350.488 2.023 20 30 FEEDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1c1cc(C#N)c(Br)cn1 ZINC000603364850 673926819 /nfs/dbraw/zinc/92/68/19/673926819.db2.gz DRJAJPBDKBEBSE-LBPRGKRZSA-N 1 0 365.275 2.405 20 30 FEEDRO C[C@H]1C[C@H](C)C[NH+](CCCNCCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000548908175 674005557 /nfs/dbraw/zinc/00/55/57/674005557.db2.gz CJBBKKZNHWBDIT-IRXDYDNUSA-N 1 0 363.527 2.290 20 30 FEEDRO CCOC(=O)[C@H]1[C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)CCN1C(=O)OC(C)(C)C ZINC000818357221 675216017 /nfs/dbraw/zinc/21/60/17/675216017.db2.gz WXAZHCKLFWDEBI-GBJTYRQASA-N 1 0 351.447 2.209 20 30 FEEDRO C#CC[N@@H+](C)CCCNC(=O)c1cc(Br)cc(N(C)C)c1 ZINC000818593072 675226836 /nfs/dbraw/zinc/22/68/36/675226836.db2.gz KJSHAZXDSCIHPN-UHFFFAOYSA-N 1 0 352.276 2.200 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)CCOc1cccc(Br)c1 ZINC000818599574 675227539 /nfs/dbraw/zinc/22/75/39/675227539.db2.gz ZARLBPCTZDUYJS-UHFFFAOYSA-N 1 0 353.260 2.289 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)C1(c2ccc(F)cc2F)CCOCC1 ZINC000818611960 675228510 /nfs/dbraw/zinc/22/85/10/675228510.db2.gz JGQZPZNJBWZBIP-UHFFFAOYSA-N 1 0 350.409 2.084 20 30 FEEDRO CC(C)Oc1cccc(C[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)c1 ZINC000818964709 675247350 /nfs/dbraw/zinc/24/73/50/675247350.db2.gz DVZDBEAYKWAZEG-UHFFFAOYSA-N 1 0 359.451 2.304 20 30 FEEDRO N#Cc1cccnc1NCC[NH2+]C[C@@H](O)COCc1ccc(Cl)cc1 ZINC000818976310 675248927 /nfs/dbraw/zinc/24/89/27/675248927.db2.gz ZUUROBBKGPXFPO-QGZVFWFLSA-N 1 0 360.845 2.186 20 30 FEEDRO C[C@@H](CNC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)[NH+]1CCCC1 ZINC000819245474 675274007 /nfs/dbraw/zinc/27/40/07/675274007.db2.gz WTOXJNDSBUQKJS-GJZGRUSLSA-N 1 0 352.479 2.174 20 30 FEEDRO C[NH+](C)C1CCN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)CC1 ZINC000819258823 675274776 /nfs/dbraw/zinc/27/47/76/675274776.db2.gz BHNHZGXWFHVGMT-OAHLLOKOSA-N 1 0 352.479 2.126 20 30 FEEDRO C#CC[C@@H](Cc1ccccc1)[NH2+]C[C@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000819304345 675279115 /nfs/dbraw/zinc/27/91/15/675279115.db2.gz FPORQJNPGFELPR-ICSRJNTNSA-N 1 0 357.475 2.348 20 30 FEEDRO CN(CCC#N)C[C@H](O)C[NH2+]C/C=C\c1ccc(Br)cc1 ZINC000567345488 675285803 /nfs/dbraw/zinc/28/58/03/675285803.db2.gz JUGXLUKYQIIRCU-ZENLRNHISA-N 1 0 352.276 2.258 20 30 FEEDRO C#C[C@H](NC(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1)c1ccc(Cl)cc1F ZINC000820749611 675385025 /nfs/dbraw/zinc/38/50/25/675385025.db2.gz DDLQDANDFXDTGJ-AHIWAGSCSA-N 1 0 367.852 2.250 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N2CC[C@H](C(F)(F)F)n3nc(C)cc32)CC1 ZINC000823832148 675574010 /nfs/dbraw/zinc/57/40/10/675574010.db2.gz RKNABEPJVIGVAX-CQSZACIVSA-N 1 0 354.376 2.377 20 30 FEEDRO C#C[C@H](CC)[NH2+]Cc1cc(Br)ccc1O[C@@H](C)C(=O)NC ZINC000824363531 675597962 /nfs/dbraw/zinc/59/79/62/675597962.db2.gz FAOHRTWJYFWVGM-SMDDNHRTSA-N 1 0 353.260 2.464 20 30 FEEDRO C#CCO[C@H](C)C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000827095712 675728895 /nfs/dbraw/zinc/72/88/95/675728895.db2.gz LENJSUNHFBOYHZ-CZUORRHYSA-N 1 0 350.846 2.165 20 30 FEEDRO N#Cc1ccc(SCC(=O)N2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1 ZINC000619871375 676398058 /nfs/dbraw/zinc/39/80/58/676398058.db2.gz FHATZKJKJOXZQN-QGZVFWFLSA-N 1 0 359.495 2.364 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2c(Cl)cccc2OC)CC1 ZINC000635069243 677088913 /nfs/dbraw/zinc/08/89/13/677088913.db2.gz OOUJFTIWFNVSNM-UHFFFAOYSA-N 1 0 351.834 2.054 20 30 FEEDRO C=CCN(CC1CCCCC1)C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000637376444 677127297 /nfs/dbraw/zinc/12/72/97/677127297.db2.gz HUHMVXDCTDOKJX-KRWDZBQOSA-N 1 0 350.507 2.104 20 30 FEEDRO C=CCSc1ccccc1NC(=O)CN1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639767167 677165533 /nfs/dbraw/zinc/16/55/33/677165533.db2.gz SZICMEKEORJWMH-LJQANCHMSA-N 1 0 363.527 2.292 20 30 FEEDRO C=CCNS(=O)(=O)c1ccccc1N1CCC(C[NH+]2CCCC2)CC1 ZINC000641297307 677199871 /nfs/dbraw/zinc/19/98/71/677199871.db2.gz KDULJNDMLHIZID-UHFFFAOYSA-N 1 0 363.527 2.463 20 30 FEEDRO C=CC[C@H]1CC[C@@H]([NH2+]Cc2cccc(S(=O)(=O)NCCOC)c2)C1 ZINC000651717464 677446829 /nfs/dbraw/zinc/44/68/29/677446829.db2.gz GMXWXBGHJTVGTQ-DOTOQJQBSA-N 1 0 352.500 2.446 20 30 FEEDRO C=CCOCCC[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000656710506 677809046 /nfs/dbraw/zinc/80/90/46/677809046.db2.gz ZOWMNHCCHRRVQK-UHFFFAOYSA-N 1 0 362.289 2.405 20 30 FEEDRO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](C)[C@@H](CNC(=O)OC(C)(C)C)C2)C1=O ZINC000839090419 680737240 /nfs/dbraw/zinc/73/72/40/680737240.db2.gz JZJZMJWNXJOHCU-PMPSAXMXSA-N 1 0 351.491 2.256 20 30 FEEDRO C=CC[C@@H]1CCCC[C@@H]1NC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000659537783 678187048 /nfs/dbraw/zinc/18/70/48/678187048.db2.gz IEZSOJMNVVDGHI-ILXRZTDVSA-N 1 0 362.440 2.257 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCC[C@@](CO)(OC)C1 ZINC000661392680 678475516 /nfs/dbraw/zinc/47/55/16/678475516.db2.gz XLHJTXUMZONNAL-MAUKXSAKSA-N 1 0 352.500 2.125 20 30 FEEDRO C=CC[N@@H+](CC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)C(C)(C)C ZINC000661756211 678530624 /nfs/dbraw/zinc/53/06/24/678530624.db2.gz FRJXAXGCOUKTLK-UHFFFAOYSA-N 1 0 353.488 2.162 20 30 FEEDRO C=CC[C@@]1(C(=O)Nc2ccc(C)c(N3CCCS3(=O)=O)c2)CCC[NH2+]1 ZINC000662623176 678644175 /nfs/dbraw/zinc/64/41/75/678644175.db2.gz IGTATZCJSBESIG-SFHVURJKSA-N 1 0 363.483 2.172 20 30 FEEDRO C=CC[C@]1(C(=O)N(C)Cc2nc([C@H](C)OCC(C)C)no2)CCC[NH2+]1 ZINC000662647732 678646851 /nfs/dbraw/zinc/64/68/51/678646851.db2.gz HNBNEDRAZLRPPW-KBXCAEBGSA-N 1 0 350.463 2.460 20 30 FEEDRO CC[C@H](C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N)[NH+](CC)CC ZINC000764205081 680802550 /nfs/dbraw/zinc/80/25/50/680802550.db2.gz YQRZDBIURKPPBC-HUUCEWRRSA-N 1 0 352.479 2.078 20 30 FEEDRO C#CC[C@]1(C(=O)N[C@H](C)CC[NH+](C)C)CCCN1C(=O)OC(C)(C)C ZINC000764509604 680812446 /nfs/dbraw/zinc/81/24/46/680812446.db2.gz VRHJRKAVHYAWCU-DNVCBOLYSA-N 1 0 351.491 2.236 20 30 FEEDRO C=CCn1c(CC(F)(F)F)nnc1N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000669046773 679217132 /nfs/dbraw/zinc/21/71/32/679217132.db2.gz IVRRCZOWGRPNTO-CYBMUJFWSA-N 1 0 361.412 2.116 20 30 FEEDRO CC(C)(c1nnc(NC(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)s1)c1ccccc1 ZINC000841109469 680863919 /nfs/dbraw/zinc/86/39/19/680863919.db2.gz IJRAMKPQXJMWLQ-AAEUAGOBSA-N 1 0 356.455 2.097 20 30 FEEDRO C=CCN(CC=C)C(=O)C[NH+]1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC000748809184 679996823 /nfs/dbraw/zinc/99/68/23/679996823.db2.gz XXIKSDWMTDFYRO-UHFFFAOYSA-N 1 0 351.491 2.424 20 30 FEEDRO C[C@@H]1[C@H](C(=O)N[C@@H]2CCN(CC#Cc3ccccc3Cl)C2)CC[N@@H+]1C ZINC001014475994 680038369 /nfs/dbraw/zinc/03/83/69/680038369.db2.gz MZZSJVOJIVJTOY-KBAYOESNSA-N 1 0 359.901 2.222 20 30 FEEDRO Cn1ccc(C=NNC(=S)NC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000749859815 680081798 /nfs/dbraw/zinc/08/17/98/680081798.db2.gz YLPQGPITFLITCJ-UHFFFAOYSA-N 1 0 355.511 2.488 20 30 FEEDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NS(=O)(=O)c1cccc(F)c1C#N ZINC000751499296 680183688 /nfs/dbraw/zinc/18/36/88/680183688.db2.gz WYXLQTAOUSIYSB-MGPQQGTHSA-N 1 0 353.463 2.342 20 30 FEEDRO CC(=NNC(=S)NCCC[NH+](C)C)c1ccc(-n2ccnc2C)cc1 ZINC000751529317 680185199 /nfs/dbraw/zinc/18/51/99/680185199.db2.gz QGBLTIQFSLLKIP-UHFFFAOYSA-N 1 0 358.515 2.321 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]C[C@@H](O)C2CCCCC2)C1 ZINC001022099367 680195856 /nfs/dbraw/zinc/19/58/56/680195856.db2.gz IQHGJIHCWNUSPG-ZRSRNVLSSA-N 1 0 350.503 2.146 20 30 FEEDRO C=C(Cl)C(C)(C)C(=O)N1C[C@@H]2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)[C@@H]2C1 ZINC001022721361 680232051 /nfs/dbraw/zinc/23/20/51/680232051.db2.gz QIHCXXWYAPDBHR-CWRNSKLLSA-N 1 0 367.921 2.166 20 30 FEEDRO CC[C@H](Cc1ccccc1Br)C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000834479620 680232870 /nfs/dbraw/zinc/23/28/70/680232870.db2.gz GXBPNXFJEBFABL-ZLDLUXBVSA-N 1 0 350.260 2.246 20 30 FEEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)c1ccn(-c2ccc(Cl)cc2Cl)n1 ZINC000834483945 680233245 /nfs/dbraw/zinc/23/32/45/680233245.db2.gz BNEIJSDNBGJFKK-TVQRCGJNSA-N 1 0 350.209 2.020 20 30 FEEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)COc1ccc2cc(Br)ccc2c1 ZINC000834490398 680234228 /nfs/dbraw/zinc/23/42/28/680234228.db2.gz UYHCLTODJNAFIP-CZUORRHYSA-N 1 0 374.238 2.209 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000874192871 685321112 /nfs/dbraw/zinc/32/11/12/685321112.db2.gz YYMSXZCUIVMLIA-OAHLLOKOSA-N 1 0 357.376 2.433 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]Cc2nnc(C)s2)C1 ZINC001023990829 680276601 /nfs/dbraw/zinc/27/66/01/680276601.db2.gz HAWSXNPVMSZQQY-XHSDSOJGSA-N 1 0 364.515 2.156 20 30 FEEDRO C=C(Br)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1(C)C ZINC000996055351 680317723 /nfs/dbraw/zinc/31/77/23/680317723.db2.gz SESKZOBVKDELLT-DXUDUQDWSA-N 1 0 369.303 2.145 20 30 FEEDRO C#CCSCC[NH2+][C@H](C)[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000753969117 680327577 /nfs/dbraw/zinc/32/75/77/680327577.db2.gz QSMKKOYEFITHNX-AEFFLSMTSA-N 1 0 362.495 2.369 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]([NH2+]CCc2csc(C)n2)C(C)(C)C1 ZINC000996331457 680328840 /nfs/dbraw/zinc/32/88/40/680328840.db2.gz RHABRSMFKKPPCO-IKGGRYGDSA-N 1 0 363.527 2.412 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([NH2+][C@H](C)c2nnc(C)s2)CC1 ZINC000997012457 680345239 /nfs/dbraw/zinc/34/52/39/680345239.db2.gz UDZGFLKLPGWFIY-DFBGVHRSSA-N 1 0 350.488 2.079 20 30 FEEDRO N#CCOc1ccc(Cl)cc1C[NH2+][C@H](CC(N)=O)C1CCOCC1 ZINC000754504488 680360073 /nfs/dbraw/zinc/36/00/73/680360073.db2.gz GRXOXVYFNRNWTM-OAHLLOKOSA-N 1 0 351.834 2.003 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]([N@H+](C)CCC2CCOCC2)C1 ZINC001027585862 680360183 /nfs/dbraw/zinc/36/01/83/680360183.db2.gz RJAAFTXHKINFLT-QRVBRYPASA-N 1 0 350.503 2.317 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]([N@H+](C)CCn2cc(Cl)cn2)C1 ZINC001027586286 680360743 /nfs/dbraw/zinc/36/07/43/680360743.db2.gz ZESGREVWULHXSY-BBWFWOEESA-N 1 0 366.893 2.050 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC(C[NH2+]Cc2cnns2)CC1 ZINC000998139868 680377553 /nfs/dbraw/zinc/37/75/53/680377553.db2.gz SQHFKVUFNAMYRN-IRXDYDNUSA-N 1 0 364.515 2.238 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2nnc(C(C)C)s2)C1 ZINC000984826200 680384595 /nfs/dbraw/zinc/38/45/95/680384595.db2.gz NSTRPJQIWPAEQC-TUVASFSCSA-N 1 0 364.515 2.237 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+](CCc2scnc2C)C1 ZINC001028860577 680385904 /nfs/dbraw/zinc/38/59/04/680385904.db2.gz AIBMZBDISHSREI-BQFCYCMXSA-N 1 0 363.527 2.413 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC([C@@H](C)[NH2+]Cc2csnn2)CC1 ZINC001029156756 680387870 /nfs/dbraw/zinc/38/78/70/680387870.db2.gz NQISVACKLSKUPU-COXVUDFISA-N 1 0 364.515 2.236 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2CCc1ccns1 ZINC001029311781 680388286 /nfs/dbraw/zinc/38/82/86/680388286.db2.gz DLWLHWILUYTOPG-ATLSCFEFSA-N 1 0 361.511 2.342 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H](CC)OC ZINC001029508650 680389868 /nfs/dbraw/zinc/38/98/68/680389868.db2.gz NKDAMKUGQRMDRY-LFDJNIOPSA-N 1 0 350.503 2.458 20 30 FEEDRO CN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)C1CC([NH2+]Cc2ccc(C#N)s2)C1 ZINC000999143995 680396045 /nfs/dbraw/zinc/39/60/45/680396045.db2.gz SENMWOCFWPWIAS-SLJIGYOZSA-N 1 0 357.479 2.122 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+][C@H](C)c2nnc(C)s2)C1 ZINC000984919190 680396655 /nfs/dbraw/zinc/39/66/55/680396655.db2.gz GMKVBGLZJGMOFF-XJBGLIRHSA-N 1 0 364.515 2.373 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]C[C@H]2CC(C)(C)CO2)C1 ZINC000984921539 680397103 /nfs/dbraw/zinc/39/71/03/680397103.db2.gz QXZPYMANDNRAPI-DZVNLGKHSA-N 1 0 350.503 2.267 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](CCC2CCOCC2)C1 ZINC001033086979 680416537 /nfs/dbraw/zinc/41/65/37/680416537.db2.gz NOHVIFWOLCMUAQ-QRVBRYPASA-N 1 0 350.503 2.317 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2ncc(Cl)n2C)C1 ZINC001000426159 680431843 /nfs/dbraw/zinc/43/18/43/680431843.db2.gz GYZKTZOQPUBRHU-KEYYUXOJSA-N 1 0 366.893 2.135 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2nncs2)CC1 ZINC001034753749 680439662 /nfs/dbraw/zinc/43/96/62/680439662.db2.gz UHLNLSOQBGDESP-JKQORVJESA-N 1 0 364.515 2.426 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)NCCc1ccccc1Br ZINC000836263599 680442556 /nfs/dbraw/zinc/44/25/56/680442556.db2.gz ZWXTWOTZJVMQKK-UHFFFAOYSA-N 1 0 352.276 2.246 20 30 FEEDRO C=C(Br)CN(C)C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000985441408 680448496 /nfs/dbraw/zinc/44/84/96/680448496.db2.gz GMHQZQMNTPIDSP-UKRRQHHQSA-N 1 0 358.324 2.158 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H](C)[C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000836317619 680450237 /nfs/dbraw/zinc/45/02/37/680450237.db2.gz GFDHUPNVUBZBMK-UONOGXRCSA-N 1 0 354.495 2.238 20 30 FEEDRO C=C(Cl)C[N@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3C[C@@H](C)CC(=O)N3)CC2)C1 ZINC001039131823 680462160 /nfs/dbraw/zinc/46/21/60/680462160.db2.gz WTVYSVPKUCONCN-KBRIMQKVSA-N 1 0 367.921 2.214 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC([N@H+](C)C[C@H]2CCCCO2)CC1 ZINC000985695146 680471306 /nfs/dbraw/zinc/47/13/06/680471306.db2.gz SCLNMPBQGZZZHH-QYZOEREBSA-N 1 0 350.503 2.460 20 30 FEEDRO C#CC[N@@H+](C)CCCNC(=O)N1CCN(Cc2ccc(CC)s2)CC1 ZINC000836488801 680476164 /nfs/dbraw/zinc/47/61/64/680476164.db2.gz OFIJCQYFWBDBAT-UHFFFAOYSA-N 1 0 362.543 2.093 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1CC[NH+](CC[C@@H]2CCOC2)CC1 ZINC001001930717 680482533 /nfs/dbraw/zinc/48/25/33/680482533.db2.gz JUDDAQOJIAFGBK-QYZOEREBSA-N 1 0 350.503 2.222 20 30 FEEDRO C#CC[N@H+]1CCC[C@@H]1COC(=O)CCCNC(=O)c1ccc(Cl)cc1 ZINC000756541689 680484033 /nfs/dbraw/zinc/48/40/33/680484033.db2.gz DBWGJFPJGKLOHH-QGZVFWFLSA-N 1 0 362.857 2.491 20 30 FEEDRO C#CC[N@H+]1CCC[C@@H]1COC(=O)CC1(NC(=O)OC(C)(C)C)CCC1 ZINC000756556901 680485088 /nfs/dbraw/zinc/48/50/88/680485088.db2.gz XOSOAFLDYNZGDQ-OAHLLOKOSA-N 1 0 350.459 2.465 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([C@@H]2CCC[N@H+]2CCOC)CC1 ZINC001004437416 680556031 /nfs/dbraw/zinc/55/60/31/680556031.db2.gz KSDCUDMBQDTWNK-QYZOEREBSA-N 1 0 350.503 2.317 20 30 FEEDRO Cn1nc(Br)c2c1ncnc2N=NC1CCC[N@H+](C)CC1 ZINC000758119406 680556506 /nfs/dbraw/zinc/55/65/06/680556506.db2.gz DOPHJGPWJDZYJQ-UHFFFAOYSA-N 1 0 352.240 2.009 20 30 FEEDRO C#CCNC(=S)N(CCC[NH+](C)C)Cc1ccc(OCC)c(OC)c1 ZINC000758189252 680560354 /nfs/dbraw/zinc/56/03/54/680560354.db2.gz MSCMKGOMPYVHLP-UHFFFAOYSA-N 1 0 363.527 2.355 20 30 FEEDRO C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@H]1Nc1ncc(C#N)cc1Cl ZINC001043511159 680584848 /nfs/dbraw/zinc/58/48/48/680584848.db2.gz GIEXHWRZCRDUDL-XJKCOSOUSA-N 1 0 361.877 2.350 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CC[NH+](CC2CC(OCC)C2)CC1 ZINC001006023537 680590776 /nfs/dbraw/zinc/59/07/76/680590776.db2.gz VILWFEDCSALQHO-AWRGBYNESA-N 1 0 350.503 2.315 20 30 FEEDRO C=C(C)CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001046956959 680654799 /nfs/dbraw/zinc/65/47/99/680654799.db2.gz BVLRCGIEEXHWBE-NEXGVSGLSA-N 1 0 354.441 2.449 20 30 FEEDRO C#CCC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCCO[C@H]2C(=C)C)C1 ZINC001046979561 680655626 /nfs/dbraw/zinc/65/56/26/680655626.db2.gz BUAAVOUHMHSWEB-ULQDDVLXSA-N 1 0 354.441 2.454 20 30 FEEDRO CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H](Nc3snc(C)c3C#N)C2)CC[N@@H+]1C ZINC001047062261 680657096 /nfs/dbraw/zinc/65/70/96/680657096.db2.gz RSIKKDNYEVJEPR-RZLSGREXSA-N 1 0 361.515 2.360 20 30 FEEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)Nc1cc(Br)c(F)cc1Cl ZINC000841144155 680865664 /nfs/dbraw/zinc/86/56/64/680865664.db2.gz XZNVPMRJQYKZLI-KGFZYKRKSA-N 1 0 361.602 2.475 20 30 FEEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)Nc1ccn(-c2ccc(Cl)cc2Cl)n1 ZINC000841170783 680867230 /nfs/dbraw/zinc/86/72/30/680867230.db2.gz ISMXQASEKPXNBT-CABZTGNLSA-N 1 0 365.224 2.412 20 30 FEEDRO Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000841219036 680869548 /nfs/dbraw/zinc/86/95/48/680869548.db2.gz DGLOQGYCWULCAJ-WPRPVWTQSA-N 1 0 350.835 2.035 20 30 FEEDRO Cc1nc(NC(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)sc1Cc1ccccc1F ZINC000841258829 680871919 /nfs/dbraw/zinc/87/19/19/680871919.db2.gz HQLPPSWUQZGZMG-GXTWGEPZSA-N 1 0 359.430 2.415 20 30 FEEDRO CC[NH+](CC)CCS(=O)(=O)Oc1cc(Br)ccc1C#N ZINC000841532228 680893080 /nfs/dbraw/zinc/89/30/80/680893080.db2.gz YLNLVTNLTRVRBQ-UHFFFAOYSA-N 1 0 361.261 2.371 20 30 FEEDRO CS[C@H]1CN(C(=O)Nc2cc(C)c(N(C)C)cc2C#N)C[C@@H]1[NH+](C)C ZINC000841713508 680908887 /nfs/dbraw/zinc/90/88/87/680908887.db2.gz OZFKEPKVTBICIG-IRXDYDNUSA-N 1 0 361.515 2.442 20 30 FEEDRO N#Cc1ccc(-c2cccc(CNC(=O)NC[C@@H]3C[NH2+]CCO3)c2)s1 ZINC000841831478 680914173 /nfs/dbraw/zinc/91/41/73/680914173.db2.gz UMSXWXMTOUJICV-HNNXBMFYSA-N 1 0 356.451 2.074 20 30 FEEDRO CCc1ccc([C@@H](O)C[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)cc1 ZINC000843091218 680987045 /nfs/dbraw/zinc/98/70/45/680987045.db2.gz ATEVEVVQNQBZGS-IBGZPJMESA-N 1 0 358.463 2.218 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[C@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000843930596 681026698 /nfs/dbraw/zinc/02/66/98/681026698.db2.gz TWZCEIFHLAIDNX-GJZGRUSLSA-N 1 0 351.491 2.140 20 30 FEEDRO CC[C@H](C)C(=O)N1CSC[C@H]1C(=O)O[C@H](C)C#CC[NH+](CC)CC ZINC000770804949 681027816 /nfs/dbraw/zinc/02/78/16/681027816.db2.gz HKBOOTWFFKRPBO-XHSDSOJGSA-N 1 0 354.516 2.211 20 30 FEEDRO CC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)O[C@H](C)C#CC[NH+](CC)CC ZINC000770804937 681027874 /nfs/dbraw/zinc/02/78/74/681027874.db2.gz HKBOOTWFFKRPBO-ARFHVFGLSA-N 1 0 354.516 2.211 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]2C[N@@H+](Cc3cc(C)ns3)C[C@H]21 ZINC001050144586 681042190 /nfs/dbraw/zinc/04/21/90/681042190.db2.gz QJLABQGPDPJMBS-HPBDAGMYSA-N 1 0 361.511 2.465 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+]CCC[C@H]2CC2(Cl)Cl)nc1 ZINC000844277448 681047358 /nfs/dbraw/zinc/04/73/58/681047358.db2.gz LGVCLWJQKGZBTI-LBPRGKRZSA-N 1 0 362.282 2.291 20 30 FEEDRO C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)CCN1c1nc(Cl)c(C#N)s1 ZINC001050901895 681057313 /nfs/dbraw/zinc/05/73/13/681057313.db2.gz CXXNJWOZJXUKGI-WOPDTQHZSA-N 1 0 367.906 2.236 20 30 FEEDRO C[C@@H]1[C@H](C(=O)N[C@H]2CCN(c3nc(Cl)c(C#N)s3)[C@@H]2C)CC[N@@H+]1C ZINC001051146147 681064121 /nfs/dbraw/zinc/06/41/21/681064121.db2.gz VTGPDWIZGVAUDB-KKOKHZNYSA-N 1 0 367.906 2.092 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)OCc2cc(OC)c(F)cc2[N+](=O)[O-])CC1 ZINC000772114212 681086508 /nfs/dbraw/zinc/08/65/08/681086508.db2.gz XCCSGZRAPSZRDV-UHFFFAOYSA-N 1 0 350.346 2.131 20 30 FEEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)c3cncc(Cl)n3)CC2)c1 ZINC000845002805 681097855 /nfs/dbraw/zinc/09/78/55/681097855.db2.gz OKYOEPZAQPBMGE-UHFFFAOYSA-N 1 0 355.829 2.396 20 30 FEEDRO C=C(C)CC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H]1OCC[C@H]1C(C)C)O2 ZINC001053602215 681100715 /nfs/dbraw/zinc/10/07/15/681100715.db2.gz CAFOCDYBGNQNJD-SQNIBIBYSA-N 1 0 350.503 2.363 20 30 FEEDRO C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1CNc1nc(Cl)c(C#N)s1 ZINC001054405939 681107352 /nfs/dbraw/zinc/10/73/52/681107352.db2.gz AFTGJGICLBPVSO-IJLUTSLNSA-N 1 0 367.906 2.126 20 30 FEEDRO C=C(Br)COC(=O)[C@@H](CC[NH+](C)C)NC(=O)OC(C)(C)C ZINC000845240576 681113108 /nfs/dbraw/zinc/11/31/08/681113108.db2.gz KKFLCGMVVBGCNM-LLVKDONJSA-N 1 0 365.268 2.283 20 30 FEEDRO Cc1nsc(NC[C@@H]2CN(C(=O)C[N@@H+]3CCC[C@@H]3C)C[C@H]2C)c1C#N ZINC001054571911 681113527 /nfs/dbraw/zinc/11/35/27/681113527.db2.gz QSOFRRUPQDMGOS-VNHYZAJKSA-N 1 0 361.515 2.314 20 30 FEEDRO Cc1nsc(NC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@H]2C)c1C#N ZINC001054675445 681114463 /nfs/dbraw/zinc/11/44/63/681114463.db2.gz DPPRWCKOJWVMDP-NMFUWQPSSA-N 1 0 361.515 2.170 20 30 FEEDRO CC[C@@H]1[C@@H](C(=O)N2CCN(c3snc(Cl)c3C#N)CC2)CC[N@@H+]1C ZINC001056054538 681152006 /nfs/dbraw/zinc/15/20/06/681152006.db2.gz AHDBLMQJMSIZME-WCQYABFASA-N 1 0 367.906 2.047 20 30 FEEDRO CC[C@@H]1[C@@H](C(=O)N2CCCN(c3snc(C)c3C#N)CC2)CC[N@@H+]1C ZINC001057249620 681159848 /nfs/dbraw/zinc/15/98/48/681159848.db2.gz TWWNXVQIZUGKSQ-GOEBONIOSA-N 1 0 361.515 2.092 20 30 FEEDRO CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N ZINC000774011545 681164569 /nfs/dbraw/zinc/16/45/69/681164569.db2.gz FYGHTGXDEUKHBP-HZSPNIEDSA-N 1 0 352.479 2.028 20 30 FEEDRO CC[C@@H]1[C@@H](C(=O)NC2CCN(c3snc(C)c3C#N)CC2)CC[N@@H+]1C ZINC001057966001 681166284 /nfs/dbraw/zinc/16/62/84/681166284.db2.gz PTQMVKXXHWIQJT-GOEBONIOSA-N 1 0 361.515 2.139 20 30 FEEDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(c2ccc(S(N)(=O)=O)cc2C#N)C1 ZINC000774518875 681198164 /nfs/dbraw/zinc/19/81/64/681198164.db2.gz RVHRPOTXHNNCTH-FMKPAKJESA-N 1 0 362.499 2.047 20 30 FEEDRO C[C@@H](CNC(=O)Nc1ccc(C#N)cc1I)[NH+](C)C ZINC000932549647 681263139 /nfs/dbraw/zinc/26/31/39/681263139.db2.gz MWPPDGZLTKCBLO-VIFPVBQESA-N 1 0 372.210 2.234 20 30 FEEDRO CC(=O)[C@@](C)(O)C[N@@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932943950 681332510 /nfs/dbraw/zinc/33/25/10/681332510.db2.gz LOKDNWPKNRIRMH-YIZRAAEISA-N 1 0 369.252 2.429 20 30 FEEDRO COC(=O)N1CCC[C@@H]([C@H](C)[NH2+]CCC(=O)Nc2sccc2C#N)C1 ZINC000775813127 681338410 /nfs/dbraw/zinc/33/84/10/681338410.db2.gz BKWUKRUWTMFFPZ-GXTWGEPZSA-N 1 0 364.471 2.405 20 30 FEEDRO CC(C)[N@H+](C)CCNC(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000847492324 681386412 /nfs/dbraw/zinc/38/64/12/681386412.db2.gz OXJABBOETLSNIE-UHFFFAOYSA-N 1 0 351.491 2.093 20 30 FEEDRO CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000934192821 681522877 /nfs/dbraw/zinc/52/28/77/681522877.db2.gz BYVBVXIRTCKSCJ-DLBZAZTESA-N 1 0 362.495 2.086 20 30 FEEDRO CC(C)NS(=O)(=O)c1ccc(N=NC2CCC[N@@H+]3CCCC[C@H]23)nc1 ZINC000848404606 681535706 /nfs/dbraw/zinc/53/57/06/681535706.db2.gz MUGXETFTTKUIJJ-MRXNPFEDSA-N 1 0 365.503 2.185 20 30 FEEDRO CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000848941016 681646314 /nfs/dbraw/zinc/64/63/14/681646314.db2.gz ZXTVZIZEVAKCBA-LSDHHAIUSA-N 1 0 352.479 2.079 20 30 FEEDRO C[NH+]=C(NC[C@@H](CO)Cc1ccc(C)c(Br)c1)NC1CC1 ZINC000849109838 681655117 /nfs/dbraw/zinc/65/51/17/681655117.db2.gz JKEMRVUQXCAKAZ-ZDUSSCGKSA-N 1 0 354.292 2.236 20 30 FEEDRO CC[N@@H+]1CCC[C@H]1CNC(=S)N1CCN(c2ccsc2C#N)CC1 ZINC000849274844 681675440 /nfs/dbraw/zinc/67/54/40/681675440.db2.gz ACEAYTZYQGQENV-AWEZNQCLSA-N 1 0 363.556 2.101 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N(CC)C1C[NH+](CC2CC(OCC)C2)C1 ZINC000950353122 681684162 /nfs/dbraw/zinc/68/41/62/681684162.db2.gz HBWONHDYFPTWST-AWRGBYNESA-N 1 0 350.503 2.315 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)N1CCC(c2ncc(C(=O)OC)s2)CC1 ZINC000912998966 685468776 /nfs/dbraw/zinc/46/87/76/685468776.db2.gz GYFASIMYJCMSHQ-UHFFFAOYSA-N 1 0 351.472 2.144 20 30 FEEDRO C=C[C@H](CC)CC(=O)Nc1cccc(S(=O)(=O)NCC[NH+](C)C)c1 ZINC000935405542 681744584 /nfs/dbraw/zinc/74/45/84/681744584.db2.gz CGKITKMYTJMQDO-CQSZACIVSA-N 1 0 353.488 2.067 20 30 FEEDRO Cc1cc(Br)c(O)c(C=NNC(=S)NCCC[NH+](C)C)c1 ZINC000781594741 681951259 /nfs/dbraw/zinc/95/12/59/681951259.db2.gz SODJWOOZUSPYLQ-UHFFFAOYSA-N 1 0 373.320 2.213 20 30 FEEDRO C[NH+](C)CCc1ccc(CNS(=O)(=O)Cc2csc(C#N)c2)cc1 ZINC000914421090 685507433 /nfs/dbraw/zinc/50/74/33/685507433.db2.gz KWTYGVUZIAFYFV-UHFFFAOYSA-N 1 0 363.508 2.343 20 30 FEEDRO Cc1cc(C#N)cc(C)c1CS(=O)(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000915040840 685511339 /nfs/dbraw/zinc/51/13/39/685511339.db2.gz IKYSBGJBWOJNKJ-UHFFFAOYSA-N 1 0 361.511 2.469 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2c(C)nn(C)c2Cl)C1 ZINC000968716755 682242364 /nfs/dbraw/zinc/24/23/64/682242364.db2.gz ICQNQAOVGXEBMB-FMKPAKJESA-N 1 0 366.893 2.054 20 30 FEEDRO CCOP(=O)(OCC)[C@@H](O)C[NH+]1CCN(c2ccsc2C#N)CC1 ZINC000852343178 682264383 /nfs/dbraw/zinc/26/43/83/682264383.db2.gz RQURTTFWMFNJMZ-OAHLLOKOSA-N 1 0 373.415 2.326 20 30 FEEDRO N#CCC1(CS(=O)(=O)NCc2ccc(Nc3cc[nH+]cc3)cc2)CC1 ZINC000917822760 685534910 /nfs/dbraw/zinc/53/49/10/685534910.db2.gz YTVXPQURJOERKK-UHFFFAOYSA-N 1 0 356.451 2.360 20 30 FEEDRO CC(=O)Nc1ccc(Br)cc1NC(=O)C#CC1CC[NH2+]CC1 ZINC000852823866 682347314 /nfs/dbraw/zinc/34/73/14/682347314.db2.gz UTVNGGBRTNVGJT-UHFFFAOYSA-N 1 0 364.243 2.349 20 30 FEEDRO CCOc1cccc(CNC(=O)C#CC2CC[NH2+]CC2)c1OC(F)F ZINC000852850845 682350379 /nfs/dbraw/zinc/35/03/79/682350379.db2.gz JXEDJMUXZZVDII-UHFFFAOYSA-N 1 0 352.381 2.306 20 30 FEEDRO O=C(C#CC1CC[NH2+]CC1)N1CCOc2ccc(Br)cc2C1 ZINC000852890104 682353728 /nfs/dbraw/zinc/35/37/28/682353728.db2.gz MQGMTSPWJKCEFF-UHFFFAOYSA-N 1 0 363.255 2.173 20 30 FEEDRO C[N@H+](Cc1ccc(C#N)s1)[C@H]1CCN(C(=O)[C@@H]2CCO[C@H]2C2CC2)C1 ZINC000971980939 682385049 /nfs/dbraw/zinc/38/50/49/682385049.db2.gz DMGNUCXMGCCSAN-QGTPRVQTSA-N 1 0 359.495 2.468 20 30 FEEDRO C#CCN(CC(=O)NCCC[NH+]1CCCCCC1)C(=O)OC(C)(C)C ZINC000854304849 682534845 /nfs/dbraw/zinc/53/48/45/682534845.db2.gz HTGDWFQDUPQPFV-UHFFFAOYSA-N 1 0 351.491 2.239 20 30 FEEDRO Ic1cccc(C=NNC2=[NH+][C@@H]3CCCC[C@H]3N2)c1 ZINC000789034482 682574996 /nfs/dbraw/zinc/57/49/96/682574996.db2.gz PTINDNRLUMRFLA-CHWSQXEVSA-N 1 0 368.222 2.485 20 30 FEEDRO C#CC[N@@H+](C)CCCNC(=O)CCc1ccc(OC)cc1Br ZINC000854663663 682577095 /nfs/dbraw/zinc/57/70/95/682577095.db2.gz CCWBMMVZHCMXAG-UHFFFAOYSA-N 1 0 367.287 2.462 20 30 FEEDRO Cc1c(Br)cccc1CC(=O)NC1(C#N)CC[NH+](C)CC1 ZINC000790592198 682687335 /nfs/dbraw/zinc/68/73/35/682687335.db2.gz BAXMNMQPWYAZFS-UHFFFAOYSA-N 1 0 350.260 2.404 20 30 FEEDRO C[NH+](C)C[C@H]1COC2(CCCC2)CN1C(=O)c1ccc(C#N)c(Cl)n1 ZINC000856410599 682777425 /nfs/dbraw/zinc/77/74/25/682777425.db2.gz KXFHFKIEBAZKTE-AWEZNQCLSA-N 1 0 362.861 2.322 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)c2nc(Br)ccc2F)CC1 ZINC000792193834 682795684 /nfs/dbraw/zinc/79/56/84/682795684.db2.gz CULXEXHLUONKRN-UHFFFAOYSA-N 1 0 354.223 2.201 20 30 FEEDRO Cc1nc(SCC(=O)N2C[C@@H]3C[N@H+](C)CC[C@@H]3C2)c(C#N)c(C)c1C ZINC000793929242 682918678 /nfs/dbraw/zinc/91/86/78/682918678.db2.gz UWEWHILRPUOFQS-CVEARBPZSA-N 1 0 358.511 2.381 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N[C@@H](C)c2ccc(Br)cn2)CC1 ZINC000794165082 682942309 /nfs/dbraw/zinc/94/23/09/682942309.db2.gz OBUAHYGUUNAXJC-LBPRGKRZSA-N 1 0 350.260 2.367 20 30 FEEDRO C#CCOc1ccc(Br)cc1C[NH2+]C[C@@H](O)[C@@H]1CCCO1 ZINC000858226492 682946928 /nfs/dbraw/zinc/94/69/28/682946928.db2.gz OEDGDMLGOPHUNQ-ZBFHGGJFSA-N 1 0 354.244 2.091 20 30 FEEDRO C#CCCN1CCN(C(=O)c2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000859003206 683024838 /nfs/dbraw/zinc/02/48/38/683024838.db2.gz IJMXBODFKXSLCG-UHFFFAOYSA-N 1 0 366.215 2.138 20 30 FEEDRO N#Cc1c(F)cccc1S(=O)(=O)NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000859275730 683071107 /nfs/dbraw/zinc/07/11/07/683071107.db2.gz CEVKAOAZCZCXOU-CQSZACIVSA-N 1 0 351.447 2.383 20 30 FEEDRO C=C(C)[C@H](CC(=O)N[C@@H]1C[C@@]2(C[N@H+](CC)[C@H]2C(C)C)C[C@H]1O)OCC ZINC000926260085 683100362 /nfs/dbraw/zinc/10/03/62/683100362.db2.gz WRWFCIGMOOKZHC-JOMPHRNESA-N 1 0 352.519 2.344 20 30 FEEDRO C[NH2+]CCN(C(=O)C(=O)Nc1ccccc1SC[C@H](C)C#N)C(C)C ZINC000927867729 683328729 /nfs/dbraw/zinc/32/87/29/683328729.db2.gz QEOLYXMGJGJVOL-CQSZACIVSA-N 1 0 362.499 2.333 20 30 FEEDRO C[NH+](C)CCOc1ccc(C=NNS(=O)(=O)Cc2ccccc2)cc1 ZINC000920382940 683338300 /nfs/dbraw/zinc/33/83/00/683338300.db2.gz CUGKWSSLFVUJCL-UHFFFAOYSA-N 1 0 361.467 2.081 20 30 FEEDRO C=CCN1CC[C@H]([N@H+](C)CC2CCN(C(=O)OC(C)(C)C)CC2)C1=O ZINC000798956598 683408351 /nfs/dbraw/zinc/40/83/51/683408351.db2.gz FXBOBWKIVLZVDB-INIZCTEOSA-N 1 0 351.491 2.352 20 30 FEEDRO C=CCN1CC[C@H]([NH2+][C@@H](CNC(=O)OC(C)(C)C)C2CCCC2)C1=O ZINC000799168235 683431490 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C#CC[NH+]1CCC(NC(=O)c2cc(Br)cc3[nH]cnc32)CC1 ZINC000928653334 683482316 /nfs/dbraw/zinc/48/23/16/683482316.db2.gz IJRSVIQBJQZELG-UHFFFAOYSA-N 1 0 361.243 2.153 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)c2ccccc2S[C@H](C)C(=O)OC)CC1 ZINC000928657542 683482700 /nfs/dbraw/zinc/48/27/00/683482700.db2.gz NBAPINOBWMUOBD-CQSZACIVSA-N 1 0 360.479 2.168 20 30 FEEDRO CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000800007796 683519397 /nfs/dbraw/zinc/51/93/97/683519397.db2.gz PMQSPFYXYNPFBN-SJORKVTESA-N 1 0 358.552 2.059 20 30 FEEDRO C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)C1CCC(C(F)(F)F)CC1 ZINC000922023533 683639316 /nfs/dbraw/zinc/63/93/16/683639316.db2.gz VLVXJVMNNMXTOB-UHFFFAOYSA-N 1 0 366.449 2.467 20 30 FEEDRO Cc1nnc(C=NNC(=S)NC2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000863069309 683675215 /nfs/dbraw/zinc/67/52/15/683675215.db2.gz VBULKTITFFAWGI-UHFFFAOYSA-N 1 0 374.539 2.309 20 30 FEEDRO CO[C@]1(C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)CCSC1 ZINC000922571549 683748001 /nfs/dbraw/zinc/74/80/01/683748001.db2.gz DEPUCTOUNZFLCL-SFHVURJKSA-N 1 0 357.483 2.470 20 30 FEEDRO C[NH+]1CCN(Cc2cccc(NC(=O)C3(C#N)CCSCC3)c2)CC1 ZINC000930628708 683761586 /nfs/dbraw/zinc/76/15/86/683761586.db2.gz ZDCMLINFAWTRJB-UHFFFAOYSA-N 1 0 358.511 2.409 20 30 FEEDRO N#Cc1ccc2ncc(C[NH2+]CC3(n4cc(Br)cn4)CC3)n2c1 ZINC000922803004 683786359 /nfs/dbraw/zinc/78/63/59/683786359.db2.gz RVHYOCZMDHOYBJ-UHFFFAOYSA-N 1 0 371.242 2.444 20 30 FEEDRO CC1(C)C[NH2+]CC[C@H](NC(=O)N2CCN(c3ccsc3C#N)CC2)C1 ZINC000864054906 683798437 /nfs/dbraw/zinc/79/84/37/683798437.db2.gz CYHJIAUEPBLJSZ-AWEZNQCLSA-N 1 0 361.515 2.230 20 30 FEEDRO N#Cc1cc(F)cc(S(=O)(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)c1 ZINC000866776091 684150774 /nfs/dbraw/zinc/15/07/74/684150774.db2.gz STPVDHGFZAYZJK-HNNXBMFYSA-N 1 0 351.447 2.098 20 30 FEEDRO C[C@H](NS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1)C1CC[NH2+]CC1 ZINC000866813420 684158667 /nfs/dbraw/zinc/15/86/67/684158667.db2.gz YBZKVPOGOCAGAM-JTQLQIEISA-N 1 0 361.389 2.243 20 30 FEEDRO C[C@H](NS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1)C1CC[NH2+]CC1 ZINC000866813470 684158728 /nfs/dbraw/zinc/15/87/28/684158728.db2.gz OKCOZXVLLHEJGQ-JTQLQIEISA-N 1 0 361.389 2.243 20 30 FEEDRO C[N@@H+]1CC[C@H]2CN(S(=O)(=O)c3ccc(C#N)c(C(F)(F)F)c3)CC[C@H]21 ZINC000867812931 684397593 /nfs/dbraw/zinc/39/75/93/684397593.db2.gz OEIAVHAOZLFXNT-SWLSCSKDSA-N 1 0 373.400 2.292 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N[C@H](CO)c2cccc(C(F)(F)F)c2)CC1 ZINC000869705612 684645356 /nfs/dbraw/zinc/64/53/56/684645356.db2.gz FMNMJUCTCAPTNN-MRXNPFEDSA-N 1 0 354.372 2.200 20 30 FEEDRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)C#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000869779057 684654717 /nfs/dbraw/zinc/65/47/17/684654717.db2.gz SMBCHJIUAWPHNR-HNNXBMFYSA-N 1 0 354.372 2.018 20 30 FEEDRO C=C(C[NH+](C)C)C(=O)N[C@H]1C[C@H]2CC[C@@H]([C@H]1C)N2C(=O)OC(C)(C)C ZINC000870499023 684725921 /nfs/dbraw/zinc/72/59/21/684725921.db2.gz REUUJVHHXPXVLY-FZKCQIBNSA-N 1 0 351.491 2.397 20 30 FEEDRO Cc1cccc(C#N)c1S(=O)(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000871805982 684858209 /nfs/dbraw/zinc/85/82/09/684858209.db2.gz UNKQTUUOFVRVPG-OLZOCXBDSA-N 1 0 361.389 2.015 20 30 FEEDRO N#CCc1ccc(CS(=O)(=O)N[C@H]2CCCCC23CC[NH2+]CC3)cc1 ZINC000871818000 684862498 /nfs/dbraw/zinc/86/24/98/684862498.db2.gz INMCPEBJNVPIMO-SFHVURJKSA-N 1 0 361.511 2.484 20 30 FEEDRO C=CCNC(=O)C[NH2+][C@H](c1cccc(Br)c1)[C@H]1CCOC1 ZINC000872058300 684917435 /nfs/dbraw/zinc/91/74/35/684917435.db2.gz QTJJKTLYADPLQQ-XJKSGUPXSA-N 1 0 353.260 2.419 20 30 FEEDRO Cc1ccc(S(=O)(=O)NC2CC[NH+](CCOC(C)C)CC2)c(C#N)c1 ZINC000872459083 684954269 /nfs/dbraw/zinc/95/42/69/684954269.db2.gz QCTSKSMSDBYAJK-UHFFFAOYSA-N 1 0 365.499 2.034 20 30 FEEDRO C#C[C@H]1CC[C@H]([NH2+]Cc2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2Cl)CC1 ZINC000873198621 685094460 /nfs/dbraw/zinc/09/44/60/685094460.db2.gz SCRWZFLPIMNPQD-RBSFLKMASA-N 1 0 369.918 2.486 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H](Cc1ccccc1)C(=O)N(CC)CC ZINC000876557255 686219615 /nfs/dbraw/zinc/21/96/15/686219615.db2.gz DCIUSCHQJAKQML-HOTGVXAUSA-N 1 0 351.878 2.052 20 30 FEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCN(C(=O)Cc2ccc(Cl)cc2)CC1 ZINC000876590436 686225980 /nfs/dbraw/zinc/22/59/80/686225980.db2.gz WVNQJZMGVRSSAR-OAHLLOKOSA-N 1 0 370.280 2.023 20 30 FEEDRO N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N1CCO[C@@H](c2ccsc2)C1 ZINC000876691361 686244272 /nfs/dbraw/zinc/24/42/72/686244272.db2.gz BZVYPINZDNVZHX-QZTJIDSGSA-N 1 0 353.447 2.407 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H](CC)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000876781417 686267528 /nfs/dbraw/zinc/26/75/28/686267528.db2.gz LAAWVJDSRCWVSK-KSZLIROESA-N 1 0 365.905 2.252 20 30 FEEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]Cc1cccc(NS(C)(=O)=O)c1 ZINC000876907356 686292465 /nfs/dbraw/zinc/29/24/65/686292465.db2.gz QKWCETYQMPLVLG-CQSZACIVSA-N 1 0 351.472 2.247 20 30 FEEDRO C[C@@H](CCC#N)C[NH+]1CCC(n2nncc2I)CC1 ZINC000877630625 686426242 /nfs/dbraw/zinc/42/62/42/686426242.db2.gz HOWAWWUVTASRCO-NSHDSACASA-N 1 0 373.242 2.459 20 30 FEEDRO C=CCNc1ncc(C(=O)N(CCOC)CC2CC[NH+](C)CC2)s1 ZINC000880944735 687102666 /nfs/dbraw/zinc/10/26/66/687102666.db2.gz WZJIELZCWBZDIA-UHFFFAOYSA-N 1 0 352.504 2.171 20 30 FEEDRO C=C(C)C[C@H](NC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1)C(=O)OCC ZINC000881756577 687205885 /nfs/dbraw/zinc/20/58/85/687205885.db2.gz YAENCKAMXZCJNQ-CVEARBPZSA-N 1 0 354.516 2.218 20 30 FEEDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)Nc1ccc(Br)c(C#N)n1 ZINC000883096602 687563487 /nfs/dbraw/zinc/56/34/87/687563487.db2.gz MAEWWFSYGZNHJO-RNCFNFMXSA-N 1 0 364.247 2.320 20 30 FEEDRO C[N@@H+]1C[C@@H]2CCCN(C(=O)Nc3ccc(Br)c(C#N)n3)[C@@H]2C1 ZINC000883114272 687568723 /nfs/dbraw/zinc/56/87/23/687568723.db2.gz PROWBVLHVWURRH-GXFFZTMASA-N 1 0 364.247 2.274 20 30 FEEDRO C=CCC[C@H]([NH2+]C[C@H]1CCN(S(C)(=O)=O)C1)[C@@H]1Cc2ccccc2O1 ZINC000883207935 687587978 /nfs/dbraw/zinc/58/79/78/687587978.db2.gz VVTCAPPATHKSDH-AYBZRNKSSA-N 1 0 364.511 2.196 20 30 FEEDRO COc1ccc(C[NH2+]CC[C@H]2CCCS2(=O)=O)cc1OCCCC#N ZINC000883300291 687603489 /nfs/dbraw/zinc/60/34/89/687603489.db2.gz SSMUHIPCHDOGTK-MRXNPFEDSA-N 1 0 366.483 2.435 20 30 FEEDRO N#C[C@@H]1C[NH2+]CC12CC(C(=O)NCCc1ccc(Br)cc1)C2 ZINC000884070931 687783066 /nfs/dbraw/zinc/78/30/66/687783066.db2.gz CLFQKAPRFMBZCW-XOYHFGRZSA-N 1 0 362.271 2.247 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H]2CC[C@]3(CO[C@@H](C)C3)O2)CC1 ZINC000884131240 687796706 /nfs/dbraw/zinc/79/67/06/687796706.db2.gz GHXUTHXIKZOCHN-IEZWGBDMSA-N 1 0 351.491 2.053 20 30 FEEDRO Cc1cc(C)c(CC(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)c(C)c1Br ZINC000884249959 687829514 /nfs/dbraw/zinc/82/95/14/687829514.db2.gz UXDQEIXNAFWWOV-TZMCWYRMSA-N 1 0 350.260 2.145 20 30 FEEDRO CSC1(CNS(=O)(=O)c2ccc(CCC#N)cc2)CC[NH+](C)CC1 ZINC000885196418 688031470 /nfs/dbraw/zinc/03/14/70/688031470.db2.gz XSBZCTZQQXGHPV-UHFFFAOYSA-N 1 0 367.540 2.248 20 30 FEEDRO C#CCN(C(=O)Cn1nc(C(F)F)cc1C1CC1)C1CC[NH+](C)CC1 ZINC000886572305 688278423 /nfs/dbraw/zinc/27/84/23/688278423.db2.gz HLQKKTUXNFEFRT-UHFFFAOYSA-N 1 0 350.413 2.254 20 30 FEEDRO C#CCN(C(=O)CCc1nc(-c2cccs2)no1)C1CC[NH+](C)CC1 ZINC000886586986 688280442 /nfs/dbraw/zinc/28/04/42/688280442.db2.gz BBKGKGKAHCITFI-UHFFFAOYSA-N 1 0 358.467 2.287 20 30 FEEDRO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@H](Cc2nc(C)cs2)C1 ZINC000886696349 688291812 /nfs/dbraw/zinc/29/18/12/688291812.db2.gz MPMPDOKHZBLOIK-UONOGXRCSA-N 1 0 350.488 2.106 20 30 FEEDRO N#Cc1cc(NC(=O)C(=O)N2CCCC[C@]3(CC[NH2+]C3)C2)ccc1Cl ZINC000887037054 688360794 /nfs/dbraw/zinc/36/07/94/688360794.db2.gz SVAHPQRYTOJCLT-GOSISDBHSA-N 1 0 360.845 2.142 20 30 FEEDRO C#CCC1([NH2+]CC(=O)Nc2sccc2C(=O)OCC)CCOCC1 ZINC000887125766 688370351 /nfs/dbraw/zinc/37/03/51/688370351.db2.gz IMIJRANQFQIYRS-UHFFFAOYSA-N 1 0 350.440 2.025 20 30 FEEDRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)Nc1nc(Cl)c(C#N)s1 ZINC000888412635 688607152 /nfs/dbraw/zinc/60/71/52/688607152.db2.gz PHPWCQJQJMLHPD-UHFFFAOYSA-N 1 0 370.910 2.158 20 30 FEEDRO C=CC(C)(C)CCCNC(=O)NC1CCN(C(=O)CCC[NH2+]C)CC1 ZINC000892262911 689172382 /nfs/dbraw/zinc/17/23/82/689172382.db2.gz IZOCBCIDYGZWRM-UHFFFAOYSA-N 1 0 352.523 2.269 20 30 FEEDRO CO[C@@]1(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)CCSC1 ZINC000892417044 689192849 /nfs/dbraw/zinc/19/28/49/689192849.db2.gz FPTOJMKZRJZNJR-IBGZPJMESA-N 1 0 359.495 2.161 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](CO)c2cc(F)ccc2F)CC1 ZINC000892851071 689252980 /nfs/dbraw/zinc/25/29/80/689252980.db2.gz BFJKQNMOBQPRAN-KRWDZBQOSA-N 1 0 353.413 2.338 20 30 FEEDRO C[NH+](C)[C@H](CNC(=O)N1CCO[C@@](C)(C#N)C1)c1ccc(Cl)cc1 ZINC000893382172 689339830 /nfs/dbraw/zinc/33/98/30/689339830.db2.gz NVTUDNJSTCANAM-WBVHZDCISA-N 1 0 350.850 2.267 20 30 FEEDRO Cn1ncc(I)c1C[NH2+]CC1CCC(C#N)CC1 ZINC000894657099 689573910 /nfs/dbraw/zinc/57/39/10/689573910.db2.gz OTDNUXODSLPACT-UHFFFAOYSA-N 1 0 358.227 2.444 20 30 FEEDRO C=CCn1cc(C[NH2+][C@@H]2CC[C@@H](C(=O)OCC)[C@@H](C(F)(F)F)C2)nn1 ZINC000895005774 689638852 /nfs/dbraw/zinc/63/88/52/689638852.db2.gz HSJDOFNEEDWEJX-BNOWGMLFSA-N 1 0 360.380 2.464 20 30 FEEDRO N#Cc1cc(NC[C@H]2CC[N@@H+]2C2CCOCC2)ncc1Br ZINC000896526078 689885303 /nfs/dbraw/zinc/88/53/03/689885303.db2.gz SAZHWYKAKSHVNT-CYBMUJFWSA-N 1 0 351.248 2.381 20 30 FEEDRO N#Cc1cc(Br)ccc1N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000897221573 689990181 /nfs/dbraw/zinc/99/01/81/689990181.db2.gz NISASRCRIZRKHQ-CVEARBPZSA-N 1 0 350.260 2.356 20 30 FEEDRO C=CCOc1ccc(C[N@H+]2C[C@@H](C)[C@H](CS(N)(=O)=O)C2)cc1Cl ZINC000897609148 690048022 /nfs/dbraw/zinc/04/80/22/690048022.db2.gz DOHWEZCKXCMXNS-OCCSQVGLSA-N 1 0 358.891 2.261 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)N1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000900268858 690493199 /nfs/dbraw/zinc/49/31/99/690493199.db2.gz TXXZKHHAXYYHOK-AWEZNQCLSA-N 1 0 364.877 2.420 20 30 FEEDRO CC#CCNCc1cn(Cc2cc([N+](=O)[O-])ccc2Br)nn1 ZINC000900595789 690536260 /nfs/dbraw/zinc/53/62/60/690536260.db2.gz PDLSYTXQUWXXRT-UHFFFAOYSA-N 1 0 364.203 2.110 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)N1CCC(C2N=NC(=S)N2C(C)C)CC1 ZINC000900625274 690540510 /nfs/dbraw/zinc/54/05/10/690540510.db2.gz KXMYFPSVCVAAQS-UHFFFAOYSA-N 1 0 351.520 2.362 20 30 FEEDRO CC[C@H]1CN(S(=O)(=O)c2ccc(Br)c(C#N)c2)CC[C@H]1[NH3+] ZINC000903495069 690901012 /nfs/dbraw/zinc/90/10/12/690901012.db2.gz RDFTVFLCIPLHET-IINYFYTJSA-N 1 0 372.288 2.069 20 30 FEEDRO N#Cc1sccc1S(=O)(=O)N1CC[C@@H](c2ccc(F)cc2)[C@H]([NH3+])C1 ZINC000903509746 690905069 /nfs/dbraw/zinc/90/50/69/690905069.db2.gz AFRJXYZCSRFRAZ-UONOGXRCSA-N 1 0 365.455 2.264 20 30 FEEDRO C[C@@H]1C[NH2+]C[C@H]1CCNS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000903548486 690921340 /nfs/dbraw/zinc/92/13/40/690921340.db2.gz VHHCRLLATHCBOL-ZYHUDNBSSA-N 1 0 361.389 2.101 20 30 FEEDRO N#Cc1cc(S(=O)(=O)N2CCC[C@]23CC[NH2+]C3)ccc1C(F)(F)F ZINC000903592433 690934766 /nfs/dbraw/zinc/93/47/66/690934766.db2.gz FAWXNYTYKVJUPH-CQSZACIVSA-N 1 0 359.373 2.094 20 30 FEEDRO C[NH+]1CCC(OCC(=O)Oc2c(F)cc(C#N)cc2Br)CC1 ZINC000906059037 691223703 /nfs/dbraw/zinc/22/37/03/691223703.db2.gz URXHDEKCGBTCBH-UHFFFAOYSA-N 1 0 371.206 2.476 20 30 FEEDRO C[NH+]1CCC(C#N)(NC(=O)CCc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000906601897 691290486 /nfs/dbraw/zinc/29/04/86/691290486.db2.gz VSMURESEZLDFOU-UHFFFAOYSA-N 1 0 350.806 2.285 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)c2nn(C(C)C)cc2Br)CC1 ZINC000906773621 691313376 /nfs/dbraw/zinc/31/33/76/691313376.db2.gz OWJKNLZDPDUMAF-UHFFFAOYSA-N 1 0 367.291 2.444 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)NCc1ccc(C(=O)OC)cc1Br ZINC000907633006 691528716 /nfs/dbraw/zinc/52/87/16/691528716.db2.gz BYSPDRLMLQVNCU-UHFFFAOYSA-N 1 0 369.259 2.360 20 30 FEEDRO CCC[N@@H+]1CCC[C@@H](C(=O)N2CCN(c3snc(C)c3C#N)CC2)C1 ZINC000908285524 691652139 /nfs/dbraw/zinc/65/21/39/691652139.db2.gz SVGNWTVFKWLOPU-OAHLLOKOSA-N 1 0 361.515 2.094 20 30 FEEDRO CCOC(=O)C1CC[NH+](C2CCN(c3cc(OC)c(C#N)cn3)CC2)CC1 ZINC001164616704 719021664 /nfs/dbraw/zinc/02/16/64/719021664.db2.gz LKQHFIJAJDCCHL-UHFFFAOYSA-N 1 0 372.469 2.206 20 30 FEEDRO CCOC(=O)C1CC[NH+](C2CCN(c3cc(CC#N)ccn3)CC2)CC1 ZINC001164617057 719029633 /nfs/dbraw/zinc/02/96/33/719029633.db2.gz JUYRWKONGUNUKH-UHFFFAOYSA-N 1 0 356.470 2.392 20 30 FEEDRO Cc1ccnc(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c1C#N ZINC001164824583 720297691 /nfs/dbraw/zinc/29/76/91/720297691.db2.gz RTTFKMVPRLLLOK-RTBURBONSA-N 1 0 367.497 2.173 20 30 FEEDRO Cc1ccnc(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c1C#N ZINC001164824581 720298403 /nfs/dbraw/zinc/29/84/03/720298403.db2.gz RTTFKMVPRLLLOK-OALUTQOASA-N 1 0 367.497 2.173 20 30 FEEDRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2nccc(C#N)c2F)CC1 ZINC001164829691 720317676 /nfs/dbraw/zinc/31/76/76/720317676.db2.gz NBIFGTIDDQFCOK-IAGOWNOFSA-N 1 0 371.460 2.004 20 30 FEEDRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2nccc(F)c2C#N)CC1 ZINC001164826299 720325071 /nfs/dbraw/zinc/32/50/71/720325071.db2.gz GEDBXSRFSDOQTP-ZWKOTPCHSA-N 1 0 371.460 2.004 20 30 FEEDRO Cc1cc(C#N)cc(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164829788 720348189 /nfs/dbraw/zinc/34/81/89/720348189.db2.gz UKBQFKJHSMJCSW-RBUKOAKNSA-N 1 0 367.497 2.173 20 30 FEEDRO N#Cc1c(Cl)ccnc1N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001164732986 720555496 /nfs/dbraw/zinc/55/54/96/720555496.db2.gz HOBBLGNYCLFWDC-UHFFFAOYSA-N 1 0 356.861 2.462 20 30 FEEDRO Cc1cc(Cl)nc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)c1C#N ZINC001164744948 720621432 /nfs/dbraw/zinc/62/14/32/720621432.db2.gz SJZPNIRRPQRLCP-ZIAGYGMSSA-N 1 0 370.844 2.047 20 30 FEEDRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc4c(cc3C#N)CCCC4)CC[C@H]2C1 ZINC001164863754 720875144 /nfs/dbraw/zinc/87/51/44/720875144.db2.gz UDPSRJJHPXKTGK-FXAWDEMLSA-N 1 0 370.497 2.006 20 30 FEEDRO N#Cc1ncc(Cl)nc1N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164900336 721521190 /nfs/dbraw/zinc/52/11/90/721521190.db2.gz QJJZKDHZJBRTCD-ZFWWWQNUSA-N 1 0 373.819 2.483 20 30 FEEDRO N#Cc1cnc(Cl)nc1N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164898533 721521328 /nfs/dbraw/zinc/52/13/28/721521328.db2.gz IIOJWRJGVDQDPR-GOEBONIOSA-N 1 0 373.819 2.483 20 30 FEEDRO N#CCc1cncc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164903039 721549490 /nfs/dbraw/zinc/54/94/90/721549490.db2.gz BVLPVOLUVBLLDF-WMZOPIPTSA-N 1 0 353.401 2.024 20 30 FEEDRO N#Cc1cc(F)cnc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164981563 722105413 /nfs/dbraw/zinc/10/54/13/722105413.db2.gz LSIOBGVRRSOFAP-VQIMIIECSA-N 1 0 367.428 2.215 20 30 FEEDRO Cc1ccc(C#N)c(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164982307 722106039 /nfs/dbraw/zinc/10/60/39/722106039.db2.gz NKMIKTUPVATYIY-PMACEKPBSA-N 1 0 363.465 2.384 20 30 FEEDRO Cc1ccc(CC#N)c(N2CCCn3cnc(COCC[NH+](C)C)c3C2)n1 ZINC001165004265 722256660 /nfs/dbraw/zinc/25/66/60/722256660.db2.gz OXAKEOWECWVOQK-UHFFFAOYSA-N 1 0 368.485 2.141 20 30 FEEDRO CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000503068774 814371816 /nfs/dbraw/zinc/37/18/16/814371816.db2.gz LSQDWNIBSUMQMP-GOSISDBHSA-N 1 0 355.398 2.467 20 30 FEEDRO CC(C)[C@H]1C[NH2+]CCN1C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 ZINC000528686063 829519542 /nfs/dbraw/zinc/51/95/42/829519542.db2.gz JUHANILITFXDNB-MRXNPFEDSA-N 1 0 356.405 2.345 20 30 FEEDRO CC(C)(C#N)c1ccc(C(=O)Nc2ccn(CCN3CCOCC3)n2)cc1 ZINC000475780805 832363781 /nfs/dbraw/zinc/36/37/81/832363781.db2.gz XFONJCOWOSVJJR-UHFFFAOYSA-N 1 0 367.453 2.269 20 30 FEEDRO Cc1ccc([C@H](CNC(=O)CNc2ccc(C#N)cn2)[NH+]2CCCC2)o1 ZINC000497868528 883797935 /nfs/dbraw/zinc/79/79/35/883797935.db2.gz BFWGKURDGRVKMG-INIZCTEOSA-N 1 0 353.426 2.220 20 30 FEEDRO COC(=O)c1ccc(OC[C@@H](O)C[N@H+](C)Cc2cccc(C#N)c2)cc1 ZINC000026328306 539783651 /nfs/dbraw/zinc/78/36/51/539783651.db2.gz GNKXRKDINKCAFE-SFHVURJKSA-N 1 0 354.406 2.217 20 30 FEEDRO Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+](C)[C@H]3CCC[C@H](C)C3)CC2)o1 ZINC000029820691 539865363 /nfs/dbraw/zinc/86/53/63/539865363.db2.gz YROXLTRLTOTOCT-HOCLYGCPSA-N 1 0 359.474 2.014 20 30 FEEDRO Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NCCC[NH+]1CCCCC1 ZINC000043804843 540109730 /nfs/dbraw/zinc/10/97/30/540109730.db2.gz BSEHTIILKSZCPJ-UHFFFAOYSA-N 1 0 368.485 2.143 20 30 FEEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000047214017 540297037 /nfs/dbraw/zinc/29/70/37/540297037.db2.gz JTQSWYUBACNTSJ-OAHLLOKOSA-N 1 0 372.513 2.424 20 30 FEEDRO N#Cc1ccc(NC(=O)C(=O)NCc2ccccc2C[NH+]2CCCC2)cc1 ZINC000049391831 540388815 /nfs/dbraw/zinc/38/88/15/540388815.db2.gz OUWDSOODBQNLRR-UHFFFAOYSA-N 1 0 362.433 2.409 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N2CCC[C@@H](C(=O)Nc3ccccc3)C2)CC1 ZINC000050027805 540397652 /nfs/dbraw/zinc/39/76/52/540397652.db2.gz QNKRSJPSWQCZAT-GOSISDBHSA-N 1 0 353.466 2.209 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N2CCC[C@H](C(=O)Nc3ccccc3)C2)CC1 ZINC000050027802 540397696 /nfs/dbraw/zinc/39/76/96/540397696.db2.gz QNKRSJPSWQCZAT-SFHVURJKSA-N 1 0 353.466 2.209 20 30 FEEDRO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC[C@H](C(=O)N2CCCCC2)C1 ZINC000051557194 540437862 /nfs/dbraw/zinc/43/78/62/540437862.db2.gz FLOHARYKOFSISL-MSOLQXFVSA-N 1 0 374.529 2.442 20 30 FEEDRO CC[N@@H+]1CCC[C@@H](NC(=O)N2CCN(c3cccc(F)c3C#N)CC2)C1 ZINC000052593989 540476548 /nfs/dbraw/zinc/47/65/48/540476548.db2.gz MJRDMEOVZAJQPS-OAHLLOKOSA-N 1 0 359.449 2.013 20 30 FEEDRO CC(=O)NCC1CC[NH+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000052849002 540493134 /nfs/dbraw/zinc/49/31/34/540493134.db2.gz AKBCRBWMDJJSDN-UHFFFAOYSA-N 1 0 362.861 2.388 20 30 FEEDRO N#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H](C(=O)NCC3CC3)C2)cc1 ZINC000052931281 540500761 /nfs/dbraw/zinc/50/07/61/540500761.db2.gz KEKXWHIGKRIHBG-QGZVFWFLSA-N 1 0 354.454 2.125 20 30 FEEDRO Cc1cccc(N(CCC#N)C(=O)CSc2nc(N)cc(N)[nH+]2)c1C ZINC000053451158 540535658 /nfs/dbraw/zinc/53/56/58/540535658.db2.gz XCFAVRCIEQEVPG-UHFFFAOYSA-N 1 0 356.455 2.297 20 30 FEEDRO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000053775344 540553613 /nfs/dbraw/zinc/55/36/13/540553613.db2.gz ZBGADBVRVHOEKI-KRWDZBQOSA-N 1 0 358.486 2.215 20 30 FEEDRO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCC[C@H](C(=O)Nc2cccc(C)n2)C1 ZINC000054205750 540574794 /nfs/dbraw/zinc/57/47/94/540574794.db2.gz JMGVCGLHYTWRKS-RDJZCZTQSA-N 1 0 371.485 2.049 20 30 FEEDRO C[C@H](CNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)Cn1cccn1 ZINC000054577946 540596784 /nfs/dbraw/zinc/59/67/84/540596784.db2.gz FJKVFVWMSHHCJU-QGZVFWFLSA-N 1 0 368.485 2.164 20 30 FEEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000057374945 540792001 /nfs/dbraw/zinc/79/20/01/540792001.db2.gz YRTHPFUYRJAGFL-IBGZPJMESA-N 1 0 372.513 2.423 20 30 FEEDRO Cc1ccc(C#N)cc1NC(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000058451395 540843615 /nfs/dbraw/zinc/84/36/15/540843615.db2.gz VKWTYRQONDULJO-UHFFFAOYSA-N 1 0 364.453 2.335 20 30 FEEDRO CC[NH+](CC)CCOc1ccc(CNC(=O)CSCC#N)cc1OC ZINC000058959423 540861355 /nfs/dbraw/zinc/86/13/55/540861355.db2.gz SBSASLZMOJJZLB-UHFFFAOYSA-N 1 0 365.499 2.289 20 30 FEEDRO C[C@@H]1Sc2ccc(C(=O)N(CCC#N)CCC[NH+](C)C)cc2NC1=O ZINC000064362051 541203208 /nfs/dbraw/zinc/20/32/08/541203208.db2.gz AFFFFYDMMSOXSY-ZDUSSCGKSA-N 1 0 360.483 2.427 20 30 FEEDRO CC(=O)NCCCCCC(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000065930663 541272248 /nfs/dbraw/zinc/27/22/48/541272248.db2.gz VLAKYWRAMQLOBT-UHFFFAOYSA-N 1 0 358.486 2.145 20 30 FEEDRO Cc1[nH]nc2ncc(C(=O)N(CC[NH+](C)C)Cc3cccc(C#N)c3)cc12 ZINC000065930455 541272510 /nfs/dbraw/zinc/27/25/10/541272510.db2.gz NBKBCDPYVGOGEN-UHFFFAOYSA-N 1 0 362.437 2.342 20 30 FEEDRO N#Cc1cnn(-c2ccc(C(=O)N3CC[NH+](C4CCCC4)CC3)cc2)c1N ZINC000066240316 541293954 /nfs/dbraw/zinc/29/39/54/541293954.db2.gz VUPBORGZBNZKJX-UHFFFAOYSA-N 1 0 364.453 2.027 20 30 FEEDRO C[NH+](C)[C@H](CNC(=O)CCC(=O)N(CCC#N)c1ccccc1)C1CC1 ZINC000066621619 541348421 /nfs/dbraw/zinc/34/84/21/541348421.db2.gz AJCLSQJPQKMEPC-GOSISDBHSA-N 1 0 356.470 2.170 20 30 FEEDRO CCC[NH+]1CCN(C(=O)CCC(=O)N(CCC#N)c2ccccc2)CC1 ZINC000066622120 541348953 /nfs/dbraw/zinc/34/89/53/541348953.db2.gz MYENGTRSIRDKIR-UHFFFAOYSA-N 1 0 356.470 2.268 20 30 FEEDRO Cc1cc(N2CC[NH+](C)CC2)ccc1NS(=O)(=O)c1cccc(C#N)c1 ZINC000068038692 541540892 /nfs/dbraw/zinc/54/08/92/541540892.db2.gz OXYGTYWXFPESDP-UHFFFAOYSA-N 1 0 370.478 2.419 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)NC1CCC(C(=O)NC)CC1)C(C)C ZINC000068886908 541637433 /nfs/dbraw/zinc/63/74/33/541637433.db2.gz DEEZYHCERVBGAD-ABHNRTSZSA-N 1 0 364.534 2.289 20 30 FEEDRO CC[N@@H+]1CC[C@H](CNC(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)C1 ZINC000543765887 541657207 /nfs/dbraw/zinc/65/72/07/541657207.db2.gz VSTKEZHGMMPGIQ-CYBMUJFWSA-N 1 0 356.405 2.346 20 30 FEEDRO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCCN(C(=O)C(C)C)CC1 ZINC000069609059 541700273 /nfs/dbraw/zinc/70/02/73/541700273.db2.gz QNOAFRPZEJPSBM-IBGZPJMESA-N 1 0 360.498 2.345 20 30 FEEDRO C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)Nc2cccc(OCCCC#N)c2)C1 ZINC000071009734 541758209 /nfs/dbraw/zinc/75/82/09/541758209.db2.gz XCGLWBMHWVFAIC-MRXNPFEDSA-N 1 0 372.469 2.156 20 30 FEEDRO C=CCNC(=O)NC(=O)C[N@@H+](C)C1CCN(c2ccc(Cl)cc2)CC1 ZINC000072801775 541868081 /nfs/dbraw/zinc/86/80/81/541868081.db2.gz OQTWEJSNOCMNQA-UHFFFAOYSA-N 1 0 364.877 2.252 20 30 FEEDRO CCC[C@]1(C)CCC[N@H+](CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C1 ZINC000072896281 541890320 /nfs/dbraw/zinc/89/03/20/541890320.db2.gz FYFMXINYTICVCO-HXUWFJFHSA-N 1 0 373.501 2.406 20 30 FEEDRO Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)NCC1(C)CC[NH+](C)CC1 ZINC000545191622 541898001 /nfs/dbraw/zinc/89/80/01/541898001.db2.gz ROWHKQCLCBZGHM-UHFFFAOYSA-N 1 0 367.457 2.301 20 30 FEEDRO COC(=O)[C@H]1CCC[C@H](C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)C1 ZINC000073108034 541918612 /nfs/dbraw/zinc/91/86/12/541918612.db2.gz YBQSNTCOYQAGJM-OALUTQOASA-N 1 0 371.481 2.428 20 30 FEEDRO CN(C)C(=O)C1CC[NH+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000074021752 542026936 /nfs/dbraw/zinc/02/69/36/542026936.db2.gz KUCDGSAULWLMLV-UHFFFAOYSA-N 1 0 362.861 2.340 20 30 FEEDRO C[C@@H](NC(=O)CC[NH+]1CCN(c2ccccn2)CC1)c1cccc(C#N)c1 ZINC000074218630 542054150 /nfs/dbraw/zinc/05/41/50/542054150.db2.gz IOKHNFHWKJHLGG-QGZVFWFLSA-N 1 0 363.465 2.343 20 30 FEEDRO C[NH+](C)CCN(Cc1ccccn1)C(=O)NCCOc1ccc(C#N)cc1 ZINC000074736691 542115817 /nfs/dbraw/zinc/11/58/17/542115817.db2.gz LMTWEOKTOQHHAR-UHFFFAOYSA-N 1 0 367.453 2.105 20 30 FEEDRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H](C)c2cccc(C#N)c2)CC1=O ZINC000075265220 542164501 /nfs/dbraw/zinc/16/45/01/542164501.db2.gz JIKYRBROSKPWGM-KFKAGJAMSA-N 1 0 368.481 2.068 20 30 FEEDRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1ccc(C#N)cn1 ZINC000075328288 542169884 /nfs/dbraw/zinc/16/98/84/542169884.db2.gz JVJGYKFMOSXGFR-UHFFFAOYSA-N 1 0 365.437 2.356 20 30 FEEDRO N#Cc1c(F)cccc1N1CCN(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000076981832 542338169 /nfs/dbraw/zinc/33/81/69/542338169.db2.gz UYJMHZPOAGXRFU-MRXNPFEDSA-N 1 0 371.460 2.013 20 30 FEEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000055749240 221073370 /nfs/dbraw/zinc/07/33/70/221073370.db2.gz QPYZMQCWPONWBV-ZNMIVQPWSA-N 1 0 372.513 2.279 20 30 FEEDRO C[C@H](C#N)CN(C)C(=O)NCCC[N@@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000079351770 542513830 /nfs/dbraw/zinc/51/38/30/542513830.db2.gz CRWKTQIVEKXFFZ-IEBWSBKVSA-N 1 0 357.502 2.166 20 30 FEEDRO CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)c2cccc(CC#N)c2)CC1 ZINC000080008409 542558227 /nfs/dbraw/zinc/55/82/27/542558227.db2.gz QEHSSAGXOFBAIN-UHFFFAOYSA-N 1 0 370.497 2.109 20 30 FEEDRO N#CCOc1cccc(CC(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)c1 ZINC000089777726 542770578 /nfs/dbraw/zinc/77/05/78/542770578.db2.gz PQPKUHKFVGCDCV-WOJBJXKFSA-N 1 0 371.481 2.016 20 30 FEEDRO CC[N@H+](CCc1ccccc1)CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1 ZINC000091539860 542811906 /nfs/dbraw/zinc/81/19/06/542811906.db2.gz ZAIYYWDGSLTPLU-FQEVSTJZSA-N 1 0 356.514 2.243 20 30 FEEDRO CCSCC[C@@H](C)[N@H+](C)CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1 ZINC000091623538 542816752 /nfs/dbraw/zinc/81/67/52/542816752.db2.gz MYCPPHBSHOYCAQ-SJORKVTESA-N 1 0 354.564 2.142 20 30 FEEDRO C[N@H+](CCNC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1)C1CC1 ZINC000092242709 542850980 /nfs/dbraw/zinc/85/09/80/542850980.db2.gz ABZNVRCZLYBMDV-UHFFFAOYSA-N 1 0 357.458 2.037 20 30 FEEDRO CN(CCC#N)c1ccc(C[N@@H+]2CCCC[C@@H]2C(=O)N2CCOCC2)cc1 ZINC000093014711 542901644 /nfs/dbraw/zinc/90/16/44/542901644.db2.gz NZDWENVUNVHBRD-HXUWFJFHSA-N 1 0 370.497 2.250 20 30 FEEDRO CC[N@H+](CCNC(=O)N1CCN(c2cccc(F)c2C#N)CC1)C(C)C ZINC000102571044 543072646 /nfs/dbraw/zinc/07/26/46/543072646.db2.gz DKGUFFHVWRBLKK-UHFFFAOYSA-N 1 0 361.465 2.259 20 30 FEEDRO CCN1CC[NH+](C[C@H](C)CNC(=O)CSc2ccc(C#N)cc2)CC1 ZINC000103206450 543097125 /nfs/dbraw/zinc/09/71/25/543097125.db2.gz BAWRMTPZZGQLBT-MRXNPFEDSA-N 1 0 360.527 2.040 20 30 FEEDRO C[NH+]1CCC(CCNC(=O)N2CCN(c3ccccc3C#N)CC2)CC1 ZINC000103321083 543104362 /nfs/dbraw/zinc/10/43/62/543104362.db2.gz PHYZLJKBIHHPID-UHFFFAOYSA-N 1 0 355.486 2.122 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000104327008 543128288 /nfs/dbraw/zinc/12/82/88/543128288.db2.gz TZDQYCFWZFVLNV-UHFFFAOYSA-N 1 0 370.413 2.088 20 30 FEEDRO C=CCSCCNC(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000104795125 543144380 /nfs/dbraw/zinc/14/43/80/543144380.db2.gz WBBOBHCDUOBFFO-UHFFFAOYSA-N 1 0 363.527 2.362 20 30 FEEDRO C=CCN1C(=O)c2ccc(C(=O)N(C)C3CC[NH+](CC)CC3)cc2C1=O ZINC000105599754 543177431 /nfs/dbraw/zinc/17/74/31/543177431.db2.gz XODMSBMVYUOBBO-UHFFFAOYSA-N 1 0 355.438 2.025 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)CCCNC(=O)c2ccc(F)cc2)CC1 ZINC000106034246 543186203 /nfs/dbraw/zinc/18/62/03/543186203.db2.gz ZHLOPFOYBYLZBF-UHFFFAOYSA-N 1 0 361.461 2.492 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2nc(CC(=O)OC)cs2)CC1 ZINC000106252932 543220859 /nfs/dbraw/zinc/22/08/59/543220859.db2.gz ZLHIKAQVTGFZAE-UHFFFAOYSA-N 1 0 352.460 2.021 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2ccc(OC)c(NC(C)=O)c2)CC1 ZINC000106268513 543221774 /nfs/dbraw/zinc/22/17/74/543221774.db2.gz JBEBGCHXCDUMGN-UHFFFAOYSA-N 1 0 374.485 2.493 20 30 FEEDRO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)N3CCO[C@H](C#N)C3)cc2)C1 ZINC000106330806 543223181 /nfs/dbraw/zinc/22/31/81/543223181.db2.gz AISIVCAVYGYQDO-VQIMIIECSA-N 1 0 356.470 2.352 20 30 FEEDRO CC[NH+](CC)[C@@H](CNC(=O)N1CCO[C@H](C#N)C1)c1cccc(OC)c1 ZINC000106329728 543223353 /nfs/dbraw/zinc/22/33/53/543223353.db2.gz CCYFWCDDUFAOTJ-MSOLQXFVSA-N 1 0 360.458 2.012 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(NS(C)(=O)=O)cc2)CC1 ZINC000106341116 543224783 /nfs/dbraw/zinc/22/47/83/543224783.db2.gz IATUBEYUDGFLGB-UHFFFAOYSA-N 1 0 366.487 2.220 20 30 FEEDRO CC(C)(C)[C@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2)C(N)=O ZINC000106444725 543230087 /nfs/dbraw/zinc/23/00/87/543230087.db2.gz LSNVVMMINNAXNI-OAHLLOKOSA-N 1 0 362.499 2.317 20 30 FEEDRO C=CCOc1cccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)c1 ZINC000106962141 543258382 /nfs/dbraw/zinc/25/83/82/543258382.db2.gz JDPINBWFLMMLOM-MRXNPFEDSA-N 1 0 357.454 2.323 20 30 FEEDRO N#Cc1cc(S(=O)(=O)N2CCC[C@@H]([NH+]3CCCCC3)C2)ccc1F ZINC000108401315 543288835 /nfs/dbraw/zinc/28/88/35/543288835.db2.gz JCDIMCNZOABTOO-OAHLLOKOSA-N 1 0 351.447 2.336 20 30 FEEDRO N#Cc1ccc(C(=O)NCC(=O)N[C@@H]2CCC[N@@H+](C3CCCCC3)C2)cc1 ZINC000109701023 543334915 /nfs/dbraw/zinc/33/49/15/543334915.db2.gz ZAFBWRZNKVJBDV-GOSISDBHSA-N 1 0 368.481 2.201 20 30 FEEDRO C[C@@H](CNC(=O)C(=O)Nc1ccc(F)c(C#N)c1)[N@H+](C)Cc1ccccc1 ZINC000111910984 543424525 /nfs/dbraw/zinc/42/45/25/543424525.db2.gz QKCDCGBPBUVOME-AWEZNQCLSA-N 1 0 368.412 2.273 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1ccc2c(c1)C(=O)N(C)C2=O)C(C)C ZINC000112919768 543468464 /nfs/dbraw/zinc/46/84/64/543468464.db2.gz YCHZJZGGGBJZAX-GOSISDBHSA-N 1 0 369.465 2.341 20 30 FEEDRO C=CCN1C(=O)c2ccc(C(=O)NCC[N@H+]3CCCC[C@H]3CC)cc2C1=O ZINC000113199024 543476707 /nfs/dbraw/zinc/47/67/07/543476707.db2.gz DOCYYADPFNZUKW-MRXNPFEDSA-N 1 0 369.465 2.463 20 30 FEEDRO C[C@H]([NH2+]C1(CNS(=O)(=O)CCCC#N)CCOCC1)c1ccccc1 ZINC000113306265 543483782 /nfs/dbraw/zinc/48/37/82/543483782.db2.gz CWAHBRDVIKMDMJ-INIZCTEOSA-N 1 0 365.499 2.110 20 30 FEEDRO C#CCOc1ccc(C[NH2+]Cc2cccc(OCC(=O)N(C)C)c2)cc1 ZINC000113324105 543483992 /nfs/dbraw/zinc/48/39/92/543483992.db2.gz VLSWJNVLXLBWQT-UHFFFAOYSA-N 1 0 352.434 2.455 20 30 FEEDRO N#Cc1ccc([C@H]([NH2+]CCc2cc(Cl)c3c(c2)OCCO3)C(N)=O)cc1 ZINC000115595974 543576849 /nfs/dbraw/zinc/57/68/49/543576849.db2.gz GUBLPJHRVIEFMX-KRWDZBQOSA-N 1 0 371.824 2.342 20 30 FEEDRO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@H+](C[C@@H]1CCOC1)C1CC1 ZINC000116074322 543597529 /nfs/dbraw/zinc/59/75/29/543597529.db2.gz UAKZXOQZJHVPNQ-HNNXBMFYSA-N 1 0 365.437 2.183 20 30 FEEDRO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@H+](C[C@H]1CCOC1)C1CC1 ZINC000116074326 543597611 /nfs/dbraw/zinc/59/76/11/543597611.db2.gz UAKZXOQZJHVPNQ-OAHLLOKOSA-N 1 0 365.437 2.183 20 30 FEEDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)C#Cc2ccc3c(c2)OCO3)[C@H](C)C1 ZINC000119301525 543666071 /nfs/dbraw/zinc/66/60/71/543666071.db2.gz VYWGVTBWOMUQIF-AEFFLSMTSA-N 1 0 372.465 2.020 20 30 FEEDRO Cc1cc(NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C)ccc1OC(C)C ZINC000122095972 543703293 /nfs/dbraw/zinc/70/32/93/543703293.db2.gz VHJZSHVLSFMWOR-UHFFFAOYSA-N 1 0 374.485 2.415 20 30 FEEDRO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000123993832 543795182 /nfs/dbraw/zinc/79/51/82/543795182.db2.gz DRQUQCVOHQTGQF-FQEVSTJZSA-N 1 0 354.498 2.467 20 30 FEEDRO CN(C(=O)c1ccc(C#N)nc1)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000124595021 543831278 /nfs/dbraw/zinc/83/12/78/543831278.db2.gz YPJNHDLRPXOZQT-UXHICEINSA-N 1 0 369.513 2.362 20 30 FEEDRO C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)N(CCC#N)Cc1ccco1 ZINC000126001995 543913005 /nfs/dbraw/zinc/91/30/05/543913005.db2.gz BOONDJMXJXVTAH-UHFFFAOYSA-N 1 0 369.425 2.388 20 30 FEEDRO C[C@@H]1C[C@@H](NS(=O)(=O)c2ccccc2C#N)C[N@@H+]1Cc1ccccc1 ZINC000126359252 543932080 /nfs/dbraw/zinc/93/20/80/543932080.db2.gz IFBQSXGNZZIPQH-CRAIPNDOSA-N 1 0 355.463 2.500 20 30 FEEDRO C=CCCOCCNC(=O)N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000127231620 543979612 /nfs/dbraw/zinc/97/96/12/543979612.db2.gz BICPRBPVYWGXEB-IAGOWNOFSA-N 1 0 353.507 2.110 20 30 FEEDRO C=CCc1cc(CNC(=O)C[N@H+](C)[C@@H]2CCSC2)cc(OC)c1OC ZINC000127593514 544002274 /nfs/dbraw/zinc/00/22/74/544002274.db2.gz LMFHCAFZDQQYEN-MRXNPFEDSA-N 1 0 364.511 2.486 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCC[C@H]1c1nncn1C)C(C)C ZINC000130077927 544138051 /nfs/dbraw/zinc/13/80/51/544138051.db2.gz CXOCIXTYAUYOMU-IRXDYDNUSA-N 1 0 360.506 2.360 20 30 FEEDRO N#Cc1ccc(CSCC(=O)NCCCC[N@H+]2CCC[C@@H]2CO)cc1 ZINC000131494641 544192270 /nfs/dbraw/zinc/19/22/70/544192270.db2.gz SUEGGSIJRJQWGK-GOSISDBHSA-N 1 0 361.511 2.145 20 30 FEEDRO C[C@@H](CNC(=O)N[C@@H](CCC#N)c1ccccc1)C[NH+]1CCN(C)CC1 ZINC000133827115 544284468 /nfs/dbraw/zinc/28/44/68/544284468.db2.gz YJOXCLCYYXAATE-HKUYNNGSSA-N 1 0 357.502 2.214 20 30 FEEDRO Cc1cnn(CCCCC[N@H+]2CCN(c3nccnc3C#N)C[C@H]2C)c1 ZINC000247502146 549346135 /nfs/dbraw/zinc/34/61/35/549346135.db2.gz XRJGUVDTZVWEFP-QGZVFWFLSA-N 1 0 353.474 2.234 20 30 FEEDRO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 ZINC000134799868 544321853 /nfs/dbraw/zinc/32/18/53/544321853.db2.gz ICQJBCNRXOTPSD-XKQJLSEDSA-N 1 0 363.433 2.114 20 30 FEEDRO C[NH+](C)CCn1nnnc1SCC#Cc1ccc(OC(F)(F)F)cc1 ZINC000135292233 544340382 /nfs/dbraw/zinc/34/03/82/544340382.db2.gz LRDCZSRJHDIQON-UHFFFAOYSA-N 1 0 371.388 2.277 20 30 FEEDRO CCOc1ccnc(N2CCC[N@H+](CCOc3cccc(C#N)c3)CC2)n1 ZINC000135796391 544361404 /nfs/dbraw/zinc/36/14/04/544361404.db2.gz OHUWFSIHYPVBMQ-UHFFFAOYSA-N 1 0 367.453 2.338 20 30 FEEDRO N#Cc1ccc(NC(=O)C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)c(F)c1 ZINC000136226301 544369236 /nfs/dbraw/zinc/36/92/36/544369236.db2.gz OIKIJJUXRJFNHJ-HNNXBMFYSA-N 1 0 358.417 2.113 20 30 FEEDRO N#CCCN(CCN1CCOCC1)Cc1ccc(OCC(F)(F)F)nc1 ZINC000151326726 544528911 /nfs/dbraw/zinc/52/89/11/544528911.db2.gz VRBJKKUJSDCFIG-UHFFFAOYSA-N 1 0 372.391 2.071 20 30 FEEDRO N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2ccco2)cc1 ZINC000151867138 544590125 /nfs/dbraw/zinc/59/01/25/544590125.db2.gz FQVRITARQINFCX-ZIFCJYIRSA-N 1 0 356.422 2.479 20 30 FEEDRO C[NH+]=C(NCCc1nc(-c2ccc(Cl)cc2)no1)NC1CCOCC1 ZINC000153073492 544729808 /nfs/dbraw/zinc/72/98/08/544729808.db2.gz MCKQZJDLYVOPJA-UHFFFAOYSA-N 1 0 363.849 2.277 20 30 FEEDRO C[NH+]1CCC(Oc2ccc(NC(=O)COc3ccccc3C#N)cn2)CC1 ZINC000153080254 544731056 /nfs/dbraw/zinc/73/10/56/544731056.db2.gz LNCBLYPXSJOUGK-UHFFFAOYSA-N 1 0 366.421 2.444 20 30 FEEDRO C[C@H](NC(=O)C[N@H+](C)CCCc1[nH]nc(N)c1C#N)c1ccc(Cl)cc1 ZINC000153295782 544756875 /nfs/dbraw/zinc/75/68/75/544756875.db2.gz YXAXDUHWCWSKJJ-LBPRGKRZSA-N 1 0 374.876 2.259 20 30 FEEDRO C[C@@H](C(=O)NCc1ccccc1Cl)[N@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000153325843 544761519 /nfs/dbraw/zinc/76/15/19/544761519.db2.gz BFKUEUXDAIXQPJ-LBPRGKRZSA-N 1 0 374.876 2.086 20 30 FEEDRO C[C@H](C(=O)N(C)CCC#N)N1CCN(c2ccc(F)cc2Cl)CC1 ZINC000153475077 544780176 /nfs/dbraw/zinc/78/01/76/544780176.db2.gz KQWUIIWRDQMRQC-CYBMUJFWSA-N 1 0 352.841 2.362 20 30 FEEDRO Cc1cccc(NC(=O)C(=O)NCc2ccc(C[NH+](C)C)c(F)c2)c1C#N ZINC000154001556 544851060 /nfs/dbraw/zinc/85/10/60/544851060.db2.gz OQBJFXKDLDVZQO-UHFFFAOYSA-N 1 0 368.412 2.322 20 30 FEEDRO Cc1cccc(NC(=O)C(=O)N2CCC(CCC[NH+](C)C)CC2)c1C#N ZINC000154548783 544921053 /nfs/dbraw/zinc/92/10/53/544921053.db2.gz ZNZSGWUKYABMLP-UHFFFAOYSA-N 1 0 356.470 2.386 20 30 FEEDRO CC[NH+](CC)CCCNC(=O)C1CCN(c2snc(C)c2C#N)CC1 ZINC000552937415 674230467 /nfs/dbraw/zinc/23/04/67/674230467.db2.gz DUPUGEWAFNZDHI-UHFFFAOYSA-N 1 0 363.531 2.388 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(C)[C@H](C)CCSCC)CC1 ZINC000553670834 674278372 /nfs/dbraw/zinc/27/83/72/674278372.db2.gz KQZQOAHQPQEDLY-OAHLLOKOSA-N 1 0 355.548 2.133 20 30 FEEDRO N#Cc1ccc(CN2CCC([NH2+]C[C@@H]3COC4(CCOCC4)O3)CC2)cc1 ZINC000179995656 327667655 /nfs/dbraw/zinc/66/76/55/327667655.db2.gz DEMJDOXBEIWGCA-HXUWFJFHSA-N 1 0 371.481 2.034 20 30 FEEDRO N#Cc1ccc(C[NH+]2CCC(Nc3ccc(OCC(N)=O)cc3)CC2)cc1 ZINC000182940226 327794476 /nfs/dbraw/zinc/79/44/76/327794476.db2.gz VVABPAAOCYDGOW-UHFFFAOYSA-N 1 0 364.449 2.499 20 30 FEEDRO CC[C@@H]([NH2+]CCOc1ccc(C#N)cc1)c1cccc(S(N)(=O)=O)c1 ZINC000183023593 327797987 /nfs/dbraw/zinc/79/79/87/327797987.db2.gz IKEFBWDTLJJYCR-GOSISDBHSA-N 1 0 359.451 2.325 20 30 FEEDRO COCCOc1ccc(C#N)cc1NC(=O)NCCC1CC[NH+](C)CC1 ZINC000184620667 327875945 /nfs/dbraw/zinc/87/59/45/327875945.db2.gz HMDUXISQDPHVLG-UHFFFAOYSA-N 1 0 360.458 2.437 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNS(=O)(=O)c1ccc(N(C)C)nc1)C(C)C ZINC000553856462 674289656 /nfs/dbraw/zinc/28/96/56/674289656.db2.gz TVKZGIGVEWNHLI-KRWDZBQOSA-N 1 0 366.531 2.125 20 30 FEEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)N[C@@H]3C[C@H]4OCCC[C@H]34)CC2)cc1 ZINC000187935944 328055174 /nfs/dbraw/zinc/05/51/74/328055174.db2.gz GGZXPKIURPFRCO-VAMGGRTRSA-N 1 0 368.481 2.343 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCC[C@@H]1CCO ZINC000188422248 328086124 /nfs/dbraw/zinc/08/61/24/328086124.db2.gz DZHCBOYZZFKZDI-MOPGFXCFSA-N 1 0 358.486 2.183 20 30 FEEDRO C[C@@H]1CN(C(=O)CCCCOc2cccc(C#N)c2)CC[N@@H+]1CC(C)(C)O ZINC000188616822 328098929 /nfs/dbraw/zinc/09/89/29/328098929.db2.gz SXGYBNMCFYJTCE-QGZVFWFLSA-N 1 0 373.497 2.411 20 30 FEEDRO Cn1cc(C[NH2+]C[C@H](O)COc2ccc(C(F)(F)F)cc2)cc1C#N ZINC000190868117 328237066 /nfs/dbraw/zinc/23/70/66/328237066.db2.gz RYFKXAJSOWJMHU-HNNXBMFYSA-N 1 0 353.344 2.445 20 30 FEEDRO Cn1cc(CNc2ccc(OCCN3CC[NH+](C)CC3)cc2)cc1C#N ZINC000191241336 328255719 /nfs/dbraw/zinc/25/57/19/328255719.db2.gz DMAOUMITJLAJJJ-UHFFFAOYSA-N 1 0 353.470 2.135 20 30 FEEDRO C[C@H](c1nnnn1C1CC1)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000191864228 328285737 /nfs/dbraw/zinc/28/57/37/328285737.db2.gz CVJYXINYRVRJGN-OAHLLOKOSA-N 1 0 351.458 2.149 20 30 FEEDRO C[N@H+](CCNC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C)C1CCCC1 ZINC000192973504 328349673 /nfs/dbraw/zinc/34/96/73/328349673.db2.gz SMXWHTLYASDYRS-UHFFFAOYSA-N 1 0 359.474 2.044 20 30 FEEDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2Cl)C1 ZINC000088780203 325301266 /nfs/dbraw/zinc/30/12/66/325301266.db2.gz UKFYAPCKATYKDR-CQSZACIVSA-N 1 0 362.861 2.340 20 30 FEEDRO COCCCOCC[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000091102460 325374866 /nfs/dbraw/zinc/37/48/66/325374866.db2.gz HGFDNBPXCOAOMA-UHFFFAOYSA-N 1 0 365.499 2.422 20 30 FEEDRO CCc1cc(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)n(C)n1 ZINC000116509809 326019464 /nfs/dbraw/zinc/01/94/64/326019464.db2.gz PKPHZWRVMNEMFI-UHFFFAOYSA-N 1 0 354.458 2.450 20 30 FEEDRO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1cc(C#N)ccc1OC(C)C ZINC000118118004 326083411 /nfs/dbraw/zinc/08/34/11/326083411.db2.gz RTEVXNVJCAVLII-CQSZACIVSA-N 1 0 360.458 2.130 20 30 FEEDRO N#Cc1ccc(OCC[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000118866572 326109902 /nfs/dbraw/zinc/10/99/02/326109902.db2.gz ADMRUAZNKIHMGF-HNNXBMFYSA-N 1 0 353.382 2.427 20 30 FEEDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)C1 ZINC000119373927 326154855 /nfs/dbraw/zinc/15/48/55/326154855.db2.gz WRLKVMPVKAIJPG-OAHLLOKOSA-N 1 0 366.469 2.034 20 30 FEEDRO CC(C)OCCN1CCN(C(=O)C(C)(C)Oc2ccc(C#N)cc2)CC1 ZINC000120207928 326240763 /nfs/dbraw/zinc/24/07/63/326240763.db2.gz VEOHANHHNHOXQD-UHFFFAOYSA-N 1 0 359.470 2.285 20 30 FEEDRO CCOC(=O)c1c[n-]n(C2CCN(Cc3cc(C#N)ccc3F)CC2)c1=N ZINC000120711771 326280913 /nfs/dbraw/zinc/28/09/13/326280913.db2.gz KESCVZZMJIPZEW-UHFFFAOYSA-N 1 0 371.416 2.320 20 30 FEEDRO CCC[C@@H]1CCC[N@H+](CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C1 ZINC000121010074 326305957 /nfs/dbraw/zinc/30/59/57/326305957.db2.gz XCJRXKDDNDKYQP-MRXNPFEDSA-N 1 0 359.474 2.015 20 30 FEEDRO N#Cc1cc(F)c(C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)c(F)c1 ZINC000122292052 326391073 /nfs/dbraw/zinc/39/10/73/326391073.db2.gz KRJLAORFVXFRJH-DLBZAZTESA-N 1 0 363.408 2.334 20 30 FEEDRO COC(=O)[C@@H](c1cccc(C#N)c1)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000124407341 326453257 /nfs/dbraw/zinc/45/32/57/326453257.db2.gz TVMVKSHCJUKZTJ-GOSISDBHSA-N 1 0 359.470 2.063 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@H]2CCCC[C@H]2n2cccn2)cc1 ZINC000127735378 326511566 /nfs/dbraw/zinc/51/15/66/326511566.db2.gz ICVQUAIKXCOQDG-ZWKOTPCHSA-N 1 0 358.467 2.302 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2cnc3onc(C(C)C)c3c2)c1C#N ZINC000133623354 326612120 /nfs/dbraw/zinc/61/21/20/326612120.db2.gz JAJURPKLKAKPEN-UHFFFAOYSA-N 1 0 367.413 2.345 20 30 FEEDRO Cc1cccc(S(=O)(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)c1C#N ZINC000156664368 326839976 /nfs/dbraw/zinc/83/99/76/326839976.db2.gz PPQHKBWBXDVUOG-QGZVFWFLSA-N 1 0 357.479 2.318 20 30 FEEDRO COc1c(C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)c(C)nn1C ZINC000162390719 327024472 /nfs/dbraw/zinc/02/44/72/327024472.db2.gz PTGCIBKDVZWIGH-UHFFFAOYSA-N 1 0 353.470 2.363 20 30 FEEDRO COc1cc(C#N)ccc1OCC[N@@H+]1CC[C@@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000162996237 327040059 /nfs/dbraw/zinc/04/00/59/327040059.db2.gz KWBPTZWCILVFAH-SJLPKXTDSA-N 1 0 369.465 2.421 20 30 FEEDRO N#Cc1ccc(CC(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)cc1 ZINC000170924439 327107731 /nfs/dbraw/zinc/10/77/31/327107731.db2.gz DLILPWINRHIDJE-UHFFFAOYSA-N 1 0 363.461 2.374 20 30 FEEDRO Cc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000172647303 327213279 /nfs/dbraw/zinc/21/32/79/327213279.db2.gz GAKIQYIKBIKSFG-KRWDZBQOSA-N 1 0 354.454 2.282 20 30 FEEDRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000172841862 327221968 /nfs/dbraw/zinc/22/19/68/327221968.db2.gz IQZZAEGHYKGZLD-OAHLLOKOSA-N 1 0 362.861 2.483 20 30 FEEDRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000174092901 327305834 /nfs/dbraw/zinc/30/58/34/327305834.db2.gz ZUPGXZDCLBNZLA-GFCCVEGCSA-N 1 0 369.391 2.334 20 30 FEEDRO N#Cc1ccc(NC(=O)CN2CCC(OCC[NH+]3CCCC3)CC2)cc1 ZINC000174238980 327314674 /nfs/dbraw/zinc/31/46/74/327314674.db2.gz GNKVPQINHPJZEW-UHFFFAOYSA-N 1 0 356.470 2.074 20 30 FEEDRO Cc1cccc(NC(=O)C(=O)NCCCC[N@H+]2CCC[C@H](C)C2)c1C#N ZINC000174643300 327340890 /nfs/dbraw/zinc/34/08/90/327340890.db2.gz XGRMLOQCHZUKEP-HNNXBMFYSA-N 1 0 356.470 2.434 20 30 FEEDRO C[NH+]1CCC(NC(=O)Nc2ccc(NC(=O)c3cc(C#N)c[nH]3)cc2)CC1 ZINC000175723263 327409013 /nfs/dbraw/zinc/40/90/13/327409013.db2.gz RIBFODPSIURPAL-UHFFFAOYSA-N 1 0 366.425 2.354 20 30 FEEDRO C[C@@]1(CNS(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)CCC[NH2+]C1 ZINC000262400704 328863545 /nfs/dbraw/zinc/86/35/45/328863545.db2.gz ZQBHVDPNWYFGTK-CQSZACIVSA-N 1 0 361.389 2.245 20 30 FEEDRO C[C@@H](Oc1ccc(C#N)cc1)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000264191424 328998411 /nfs/dbraw/zinc/99/84/11/328998411.db2.gz CMFDFSYHJDEKHD-MRXNPFEDSA-N 1 0 357.454 2.087 20 30 FEEDRO COCC[N@@H+]1CCCN(C(=O)CCCCOc2cccc(C#N)c2)CC1 ZINC000264667101 329046233 /nfs/dbraw/zinc/04/62/33/329046233.db2.gz KSPVBSDWVRMPKL-UHFFFAOYSA-N 1 0 359.470 2.288 20 30 FEEDRO CCO[C@@H]1C[C@H](O)C12CC[NH+](CCOc1ccc(C#N)cc1OC)CC2 ZINC000265954125 329176121 /nfs/dbraw/zinc/17/61/21/329176121.db2.gz HWLWHBHOSLCQGN-RBUKOAKNSA-N 1 0 360.454 2.198 20 30 FEEDRO COc1ccc(C[NH2+]Cc2cccc(C(=O)N3CCOCC3)c2)cc1C#N ZINC000266238397 329203657 /nfs/dbraw/zinc/20/36/57/329203657.db2.gz WGEMEAJJHKGDRW-UHFFFAOYSA-N 1 0 365.433 2.329 20 30 FEEDRO C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000266628087 329243407 /nfs/dbraw/zinc/24/34/07/329243407.db2.gz HFQUQPHMBKUGAP-QGZVFWFLSA-N 1 0 371.481 2.429 20 30 FEEDRO N#Cc1ccc(NC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)c(F)c1 ZINC000269363093 329511359 /nfs/dbraw/zinc/51/13/59/329511359.db2.gz WGURSQYRSKFBRY-HNNXBMFYSA-N 1 0 358.417 2.113 20 30 FEEDRO C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)Nc3ccc(C#N)c(Cl)c3)C2)CC1 ZINC000270055543 329571423 /nfs/dbraw/zinc/57/14/23/329571423.db2.gz DEQNTDCJQALALS-OAHLLOKOSA-N 1 0 374.872 2.340 20 30 FEEDRO C[C@H]([NH2+]CC(=O)N(CCC(N)=O)Cc1ccccc1)c1ccc(C#N)cc1 ZINC000271719485 329718812 /nfs/dbraw/zinc/71/88/12/329718812.db2.gz XKVVMVXDGQKJMQ-INIZCTEOSA-N 1 0 364.449 2.113 20 30 FEEDRO CCOC(=O)[C@H]1CCCCN1C(=O)C[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000271764889 329723015 /nfs/dbraw/zinc/72/30/15/329723015.db2.gz ILALXZROOGUCPL-QGZVFWFLSA-N 1 0 355.438 2.081 20 30 FEEDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)Nc1ccc(C#N)cc1Cl ZINC000275837458 330094777 /nfs/dbraw/zinc/09/47/77/330094777.db2.gz JGUFCULVBPZDAD-GFCCVEGCSA-N 1 0 362.861 2.339 20 30 FEEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N[C@H](C)C1=CC[N@H+](C)CC1 ZINC000276014206 330111517 /nfs/dbraw/zinc/11/15/17/330111517.db2.gz HHWLIZQYSZBPKH-CQSZACIVSA-N 1 0 370.453 2.051 20 30 FEEDRO CCN(CCC[NH+](C)C)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000276166667 330125541 /nfs/dbraw/zinc/12/55/41/330125541.db2.gz GSXGHMQFPRIDPA-SFHVURJKSA-N 1 0 371.485 2.037 20 30 FEEDRO CCCN(CCC[NH+](C)C)C(=O)C(=O)Nc1ccc(C#N)cc1Cl ZINC000276270147 330135457 /nfs/dbraw/zinc/13/54/57/330135457.db2.gz ONFAFYGKXSNVIZ-UHFFFAOYSA-N 1 0 350.850 2.340 20 30 FEEDRO N#Cc1ccc2ncc(C[N@H+]3CCC[C@@H](C(=O)Nc4ccccn4)C3)n2c1 ZINC000367226403 330232935 /nfs/dbraw/zinc/23/29/35/330232935.db2.gz LRUPJHJUPVJGHR-MRXNPFEDSA-N 1 0 360.421 2.452 20 30 FEEDRO CC(C)(NC(=O)c1cccc(Cl)c1)c1noc([C@H]2C[C@@H](O)C[NH2+]2)n1 ZINC000328629616 518505075 /nfs/dbraw/zinc/50/50/75/518505075.db2.gz IKNAMHGTQGBYDL-VXGBXAGGSA-N 1 0 350.806 2.358 20 30 FEEDRO CC[N@@H+]1CCC[C@@H](CN(C)C(=O)NC2CCOCC2)[C@@H]1c1cnn(C)c1 ZINC000328617418 521614510 /nfs/dbraw/zinc/61/45/10/521614510.db2.gz CSMDSAMCARXHHV-MAUKXSAKSA-N 1 0 363.506 2.218 20 30 FEEDRO CN(C)[C@H](C[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)c1cccs1 ZINC000555392246 674358945 /nfs/dbraw/zinc/35/89/45/674358945.db2.gz GWFBFMOAROJDFQ-MRXNPFEDSA-N 1 0 363.508 2.286 20 30 FEEDRO C=CCC[C@H](NC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1)c1ccccc1 ZINC000155390982 545520346 /nfs/dbraw/zinc/52/03/46/545520346.db2.gz ZOASFQAYCGSJMM-KRWDZBQOSA-N 1 0 369.469 2.207 20 30 FEEDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)Nc2cc(C#N)ccc2Cl)C1 ZINC000155595487 545546381 /nfs/dbraw/zinc/54/63/81/545546381.db2.gz IUAUOPVILSWOCK-CQSZACIVSA-N 1 0 362.861 2.387 20 30 FEEDRO N#Cc1cccc(OCCC[N@H+]2CCCC[C@H]2C(=O)N2CCOCC2)c1 ZINC000156047824 545595839 /nfs/dbraw/zinc/59/58/39/545595839.db2.gz WXKLHPXXJQSZLN-IBGZPJMESA-N 1 0 357.454 2.040 20 30 FEEDRO C[C@H]1CCCC[N@@H+]1CCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000156200712 545607798 /nfs/dbraw/zinc/60/77/98/545607798.db2.gz LYGGVXBZRNQJTC-ZDUSSCGKSA-N 1 0 366.443 2.009 20 30 FEEDRO COc1ccc(OC)c(C[N@H+](CCO)C[C@@H](O)c2ccc(C#N)cc2)c1 ZINC000156337012 545619219 /nfs/dbraw/zinc/61/92/19/545619219.db2.gz VHYABFAFRWPATB-LJQANCHMSA-N 1 0 356.422 2.103 20 30 FEEDRO CC(=O)N1CC[C@@H](C[N@@H+](C)[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000156739345 545653852 /nfs/dbraw/zinc/65/38/52/545653852.db2.gz SDKMYBFTAYISBP-JSGCOSHPSA-N 1 0 374.510 2.236 20 30 FEEDRO C=CCOc1c(Br)cc(CN2CCO[C@H](C[NH3+])C2)cc1OC ZINC000478052057 561159247 /nfs/dbraw/zinc/15/92/47/561159247.db2.gz FOJIPKCQLMSRQU-CYBMUJFWSA-N 1 0 371.275 2.182 20 30 FEEDRO N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000158858701 545901188 /nfs/dbraw/zinc/90/11/88/545901188.db2.gz PUGLXVVPGLQZRW-CQSZACIVSA-N 1 0 373.400 2.436 20 30 FEEDRO CC(C)C[C@@H](CNC(=O)C(=O)Nc1ccc(OC(C)C)c(C#N)c1)[NH+](C)C ZINC000160129144 546010663 /nfs/dbraw/zinc/01/06/63/546010663.db2.gz WOASJHVXNHQSNF-KRWDZBQOSA-N 1 0 374.485 2.376 20 30 FEEDRO COc1ccc(CNC(=[NH2+])N[C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)cc1OC ZINC000162882299 546142852 /nfs/dbraw/zinc/14/28/52/546142852.db2.gz UASYMMJBHOKGLS-OLMNPRSZSA-N 1 0 359.470 2.456 20 30 FEEDRO C[NH+](C)CCN(Cc1cccc(Cl)c1)S(=O)(=O)CC1(C#N)CC1 ZINC000164855355 546152647 /nfs/dbraw/zinc/15/26/47/546152647.db2.gz UMHWEIJXXAWOFG-UHFFFAOYSA-N 1 0 355.891 2.337 20 30 FEEDRO C=CCN(Cc1ccccc1)C(=O)C(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000479097162 561181536 /nfs/dbraw/zinc/18/15/36/561181536.db2.gz KCFGLBPHPHFXJX-UHFFFAOYSA-N 1 0 365.477 2.449 20 30 FEEDRO COc1ccc(NC(=[NH2+])NCc2cccnc2-n2cccn2)cc1OC ZINC000170912213 546182441 /nfs/dbraw/zinc/18/24/41/546182441.db2.gz PJPGLWNSZBIJGJ-UHFFFAOYSA-N 1 0 352.398 2.211 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCc3c2cc(F)cc3F)CC1 ZINC000171621189 546216675 /nfs/dbraw/zinc/21/66/75/546216675.db2.gz OBAVISGDHVHAAY-UHFFFAOYSA-N 1 0 363.408 2.011 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)[C@@H]2CCCN2C(=O)Cc2cccs2)CC1 ZINC000171714857 546220992 /nfs/dbraw/zinc/22/09/92/546220992.db2.gz IDXWDIQHEAVNHK-KRWDZBQOSA-N 1 0 361.511 2.048 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccc(C)cc2OCC(=O)N(C)C)CC1 ZINC000171741783 546222779 /nfs/dbraw/zinc/22/27/79/546222779.db2.gz DSPFUSCWBQRDRA-UHFFFAOYSA-N 1 0 374.485 2.234 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)NC[C@@](C)(O)c2ccc(F)cc2F)CC1 ZINC000172075673 546235767 /nfs/dbraw/zinc/23/57/67/546235767.db2.gz FDMYFWDNKZFLAO-GOSISDBHSA-N 1 0 353.413 2.122 20 30 FEEDRO C[NH+](C)CCOc1cccc(CNC(=O)Nc2ccn(CCC#N)n2)c1 ZINC000173348692 546279086 /nfs/dbraw/zinc/27/90/86/546279086.db2.gz XSUKRBPMWGXMQN-UHFFFAOYSA-N 1 0 356.430 2.059 20 30 FEEDRO CC(C)(C)c1nc(CO[NH+]=C(N)c2ccc(N3CCC(O)CC3)cc2)no1 ZINC000174125883 546291361 /nfs/dbraw/zinc/29/13/61/546291361.db2.gz OQKJIQBYJPJVIR-UHFFFAOYSA-N 1 0 373.457 2.165 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH+]1CCC(CC(=O)NC)CC1 ZINC000175021091 546305599 /nfs/dbraw/zinc/30/55/99/546305599.db2.gz SZQZPTCYBKWJAI-OAHLLOKOSA-N 1 0 363.527 2.499 20 30 FEEDRO C[C@H]1C[C@H](NS(=O)(=O)c2ccc(C#N)nc2)CC[N@@H+]1Cc1ccccc1 ZINC000175846908 546361751 /nfs/dbraw/zinc/36/17/51/546361751.db2.gz DYBAYYPEAXGCIB-DOTOQJQBSA-N 1 0 370.478 2.285 20 30 FEEDRO Cc1cccc(NC(=O)C(=O)N2CC[NH+](CCC(C)(C)C)CC2)c1C#N ZINC000175954471 546378664 /nfs/dbraw/zinc/37/86/64/546378664.db2.gz IGNJUOSZAAIRJO-UHFFFAOYSA-N 1 0 356.470 2.386 20 30 FEEDRO C[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccccc2C#Cc2ccccc2)C1 ZINC000176047559 546395805 /nfs/dbraw/zinc/39/58/05/546395805.db2.gz OWJONTALCGMGAC-GOSISDBHSA-N 1 0 361.445 2.093 20 30 FEEDRO CC(C)OCC[NH+]1CCC(NC(=O)NCc2cc(C#N)ccc2F)CC1 ZINC000176421308 546443947 /nfs/dbraw/zinc/44/39/47/546443947.db2.gz SMYFPXXXOAIWRE-UHFFFAOYSA-N 1 0 362.449 2.386 20 30 FEEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1cc(C[NH+](C)C)ccn1 ZINC000176930838 546510927 /nfs/dbraw/zinc/51/09/27/546510927.db2.gz VZQUKHNBOZGGPP-UHFFFAOYSA-N 1 0 354.458 2.442 20 30 FEEDRO C=CCOc1ccc(C[N@@H+](Cc2cc(=O)n(C)c(=O)n2C)C(C)(C)C)cc1 ZINC000177849062 546695084 /nfs/dbraw/zinc/69/50/84/546695084.db2.gz VCSGVSBZIADPQA-UHFFFAOYSA-N 1 0 371.481 2.450 20 30 FEEDRO C=CCC[C@H](O)C[N@@H+](CC)CC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000178026601 546725483 /nfs/dbraw/zinc/72/54/83/546725483.db2.gz IRPOECBYUVRUMP-IBGZPJMESA-N 1 0 361.486 2.111 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)Nc2ccc(C(=O)N(C)C)cc2OCC)CC1 ZINC000178053189 546731443 /nfs/dbraw/zinc/73/14/43/546731443.db2.gz GJCDRKQFIIJELA-UHFFFAOYSA-N 1 0 357.454 2.071 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cccc(-c3ncco3)c2)CC1 ZINC000179188254 546911904 /nfs/dbraw/zinc/91/19/04/546911904.db2.gz KRMTVJWKJLNMTI-UHFFFAOYSA-N 1 0 354.410 2.047 20 30 FEEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cccc(-n2ccnn2)c1 ZINC000179378241 546942149 /nfs/dbraw/zinc/94/21/49/546942149.db2.gz ZMIWZYOSKKGCFQ-UHFFFAOYSA-N 1 0 374.448 2.343 20 30 FEEDRO COCCN1CCC([NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1 ZINC000180129257 547056986 /nfs/dbraw/zinc/05/69/86/547056986.db2.gz PNGDDIXQTGTRME-UHFFFAOYSA-N 1 0 353.470 2.159 20 30 FEEDRO N#Cc1cccc(CS(=O)(=O)NCC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000180199902 547066480 /nfs/dbraw/zinc/06/64/80/547066480.db2.gz SEEOKMXNXJWEKJ-UHFFFAOYSA-N 1 0 370.478 2.289 20 30 FEEDRO Cn1cc(C[NH2+]CC(=O)NCCc2ccccc2)c(-c2ccc(C#N)cc2)n1 ZINC000180195829 547067088 /nfs/dbraw/zinc/06/70/88/547067088.db2.gz BJMZMQNCTYGKLQ-UHFFFAOYSA-N 1 0 373.460 2.407 20 30 FEEDRO C=CCNC(=O)CNC(=O)NC[C@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000180449452 547109770 /nfs/dbraw/zinc/10/97/70/547109770.db2.gz GPMMJYNPCRQXFE-GOSISDBHSA-N 1 0 358.486 2.061 20 30 FEEDRO C=CCSCC[NH2+][C@H](C)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000180458555 547111843 /nfs/dbraw/zinc/11/18/43/547111843.db2.gz LCQFEDBCWLSKLS-OAHLLOKOSA-N 1 0 370.540 2.277 20 30 FEEDRO C#CCOc1ccccc1C[NH2+]C1CCN(S(=O)(=O)CC(C)C)CC1 ZINC000181112619 547252130 /nfs/dbraw/zinc/25/21/30/547252130.db2.gz IHERWRAQEVLSRY-UHFFFAOYSA-N 1 0 364.511 2.238 20 30 FEEDRO COC1(CNC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)CCC1 ZINC000181511494 547327162 /nfs/dbraw/zinc/32/71/62/547327162.db2.gz FFOOLSZVBBGLKM-UHFFFAOYSA-N 1 0 356.470 2.345 20 30 FEEDRO N#Cc1cccc(CNC(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)c1 ZINC000181573681 547338605 /nfs/dbraw/zinc/33/86/05/547338605.db2.gz QRQIACYWQGKYFH-FQEVSTJZSA-N 1 0 364.449 2.124 20 30 FEEDRO C[C@H](CNC(=O)C(=O)Nc1ccccc1O[C@@H](C)C#N)C[NH+]1CCCCC1 ZINC000181742438 547371781 /nfs/dbraw/zinc/37/17/81/547371781.db2.gz BKRNEWUZYIDOQR-CVEARBPZSA-N 1 0 372.469 2.154 20 30 FEEDRO C[C@H](C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)CN1CCOCC1 ZINC000181781863 547379353 /nfs/dbraw/zinc/37/93/53/547379353.db2.gz SFIWDJDMOBBLMY-GOSISDBHSA-N 1 0 356.514 2.081 20 30 FEEDRO CC(C)(C)S(=O)(=O)CC[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000181954669 547412622 /nfs/dbraw/zinc/41/26/22/547412622.db2.gz FLNOULGZTZYLDY-UHFFFAOYSA-N 1 0 363.527 2.326 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)CC1 ZINC000182897338 547568013 /nfs/dbraw/zinc/56/80/13/547568013.db2.gz HNSDBGGJQHDOQL-OAHLLOKOSA-N 1 0 368.403 2.411 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)CC1 ZINC000183041288 547591768 /nfs/dbraw/zinc/59/17/68/547591768.db2.gz VCHRLJQTTVUHJV-SFHVURJKSA-N 1 0 372.425 2.245 20 30 FEEDRO COCc1noc(CON=C(N)c2ccccc2C[NH+]2CCCCC2)n1 ZINC000183175422 547616099 /nfs/dbraw/zinc/61/60/99/547616099.db2.gz YWVOHIIPADMIJI-UHFFFAOYSA-N 1 0 359.430 2.039 20 30 FEEDRO N#C[C@H](c1cccs1)N1CCN(C(=O)C[NH+]2C[C@H]3CCC[C@@H]3C2)CC1 ZINC000183186121 547618074 /nfs/dbraw/zinc/61/80/74/547618074.db2.gz UHVUIRRNVBRNGH-BRWVUGGUSA-N 1 0 358.511 2.189 20 30 FEEDRO C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000183350701 547642985 /nfs/dbraw/zinc/64/29/85/547642985.db2.gz AIMVIRGHVVKFEO-OAHLLOKOSA-N 1 0 372.469 2.154 20 30 FEEDRO COC[C@H]([NH2+]CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)C1CC1 ZINC000183457330 547664355 /nfs/dbraw/zinc/66/43/55/547664355.db2.gz KHWXAFYUWZVTAA-INIZCTEOSA-N 1 0 354.372 2.188 20 30 FEEDRO C=CCN(CC=C)C(=O)C(=O)Nc1ccc(C)c(NC(=O)CC[NH+](C)C)c1 ZINC000183755707 547713767 /nfs/dbraw/zinc/71/37/67/547713767.db2.gz QYCPDQJKAYCLMI-UHFFFAOYSA-N 1 0 372.469 2.024 20 30 FEEDRO COCCOc1ccc(C#N)cc1NC(=O)N1CC[N@H+](C)C[C@H]1C(C)C ZINC000184622580 547855144 /nfs/dbraw/zinc/85/51/44/547855144.db2.gz NFNNXLZEFBSUKO-KRWDZBQOSA-N 1 0 360.458 2.387 20 30 FEEDRO COc1ccc2c(c1)nc(CNC(=[NH2+])NCc1ccccc1OC)n2C ZINC000184658320 547861860 /nfs/dbraw/zinc/86/18/60/547861860.db2.gz DRQSJLWZJFONLV-UHFFFAOYSA-N 1 0 353.426 2.195 20 30 FEEDRO C=CCOc1ccc(C(=O)N2CCC(OCC[NH+](C)C)CC2)cc1OC ZINC000485114437 561312980 /nfs/dbraw/zinc/31/29/80/561312980.db2.gz BKTFHVLGWXBHCD-UHFFFAOYSA-N 1 0 362.470 2.443 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N2CCN([C@@H](C)c3nccs3)CC2)CC1 ZINC000184868901 547890379 /nfs/dbraw/zinc/89/03/79/547890379.db2.gz XLSMLOQBMPTXQP-HNNXBMFYSA-N 1 0 363.531 2.182 20 30 FEEDRO CC[N@H+](CCO)CCNC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000185416415 547981829 /nfs/dbraw/zinc/98/18/29/547981829.db2.gz BHOXRBZGCJABED-CQSZACIVSA-N 1 0 350.488 2.374 20 30 FEEDRO CCN(CCC#N)C(=O)C[NH2+][C@H](C)c1c(C)nn(CC(F)(F)F)c1C ZINC000185655616 548016104 /nfs/dbraw/zinc/01/61/04/548016104.db2.gz DDUIRNJGKIZSSM-LLVKDONJSA-N 1 0 359.396 2.475 20 30 FEEDRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000185883344 548050240 /nfs/dbraw/zinc/05/02/40/548050240.db2.gz PDCFCPOQHFJNFQ-MJGOQNOKSA-N 1 0 357.502 2.357 20 30 FEEDRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000186037511 548076729 /nfs/dbraw/zinc/07/67/29/548076729.db2.gz RVVJYCDYOAKACX-OAHLLOKOSA-N 1 0 360.506 2.262 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@@H](OCC)[C@H]2Oc2ccccc2)CC1 ZINC000186369616 548126239 /nfs/dbraw/zinc/12/62/39/548126239.db2.gz BOQAZFAQSKFDCC-AQNXPRMDSA-N 1 0 356.466 2.073 20 30 FEEDRO CN1Cc2cc(NC(=O)N(CCC#N)CCC[NH+](C)C)ccc2NC1=O ZINC000186580445 548154361 /nfs/dbraw/zinc/15/43/61/548154361.db2.gz LWZQKCYBXBRNDI-UHFFFAOYSA-N 1 0 358.446 2.363 20 30 FEEDRO CN(CC[N@H+](C)C1CC1)CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000186760468 548187615 /nfs/dbraw/zinc/18/76/15/548187615.db2.gz BJNSIUVRVQLIFZ-UHFFFAOYSA-N 1 0 367.415 2.199 20 30 FEEDRO CCOCCC[N@@H+]1CC[C@@H](NCC(=O)Nc2cccc(C#N)c2)[C@H](C)C1 ZINC000187014508 548240557 /nfs/dbraw/zinc/24/05/57/548240557.db2.gz LRFDXEOEUVOULB-VQIMIIECSA-N 1 0 358.486 2.223 20 30 FEEDRO COc1cc([C@@H](C#N)NC(=O)CC2CC[NH+](C)CC2)cc(OC)c1OC ZINC000486121522 561338568 /nfs/dbraw/zinc/33/85/68/561338568.db2.gz PBJQLBGUEMHUKL-OAHLLOKOSA-N 1 0 361.442 2.125 20 30 FEEDRO C#CCOc1ccccc1NC(=O)N1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000188079907 548270356 /nfs/dbraw/zinc/27/03/56/548270356.db2.gz GGLIZYQYOKMIIK-INIZCTEOSA-N 1 0 357.454 2.416 20 30 FEEDRO C=CC[C@@H](C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)c1ccccc1 ZINC000189121422 548295325 /nfs/dbraw/zinc/29/53/25/548295325.db2.gz FODYKUPBUDEVOC-LJQANCHMSA-N 1 0 355.482 2.113 20 30 FEEDRO C=C(C)CS(=O)(=O)NCCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000189796469 548311086 /nfs/dbraw/zinc/31/10/86/548311086.db2.gz NHPZHNCIIPQCGJ-UHFFFAOYSA-N 1 0 352.500 2.199 20 30 FEEDRO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000192126969 548358879 /nfs/dbraw/zinc/35/88/79/548358879.db2.gz NJQFIVQQADGITH-ULFGMLNVSA-N 1 0 351.397 2.393 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)c2nnn(Cc3ccc(F)cc3)c2C)CC1 ZINC000192533022 548366556 /nfs/dbraw/zinc/36/65/56/548366556.db2.gz WWZSXRMTMYIXJC-UHFFFAOYSA-N 1 0 357.433 2.154 20 30 FEEDRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N(CCC#N)CC(C)(C)C ZINC000192609726 548367010 /nfs/dbraw/zinc/36/70/10/548367010.db2.gz DVFQNSMJKNPCMT-UHFFFAOYSA-N 1 0 369.535 2.012 20 30 FEEDRO C=CCOc1cccc(NC(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)c1 ZINC000193732528 548395401 /nfs/dbraw/zinc/39/54/01/548395401.db2.gz BVYNODBLAFOGNG-UHFFFAOYSA-N 1 0 357.454 2.181 20 30 FEEDRO N#Cc1ccccc1N1CCCN(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000194093389 548434173 /nfs/dbraw/zinc/43/41/73/548434173.db2.gz IOCQZQOBVKAGLP-KRWDZBQOSA-N 1 0 367.497 2.264 20 30 FEEDRO C[C@@H](NC(=O)CN(Cc1ccc(C#N)cc1)C1CC1)C(=O)N1CCCCC1 ZINC000194959287 548556399 /nfs/dbraw/zinc/55/63/99/548556399.db2.gz KECORLUEGVEPHD-MRXNPFEDSA-N 1 0 368.481 2.040 20 30 FEEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(OCCc2ccccc2)CC1 ZINC000195210051 548597264 /nfs/dbraw/zinc/59/72/64/548597264.db2.gz CAPWIMXHLYJQDW-MRXNPFEDSA-N 1 0 359.470 2.110 20 30 FEEDRO C#CCCOc1ccc(C[NH2+]CC2(N3CCOCC3)CC(OCC)C2)cc1 ZINC000195458805 548643574 /nfs/dbraw/zinc/64/35/74/548643574.db2.gz WMHMRNBWDHTDOK-UHFFFAOYSA-N 1 0 372.509 2.448 20 30 FEEDRO Cc1ccc(-n2cnc3c2CCN([C@H](C)C(=O)N(C)CCC#N)C3)cc1 ZINC000487983643 561380733 /nfs/dbraw/zinc/38/07/33/561380733.db2.gz WODMHEADKYJVCB-MRXNPFEDSA-N 1 0 351.454 2.299 20 30 FEEDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)Nc1ccc(F)cc1C#N ZINC000246094916 549050649 /nfs/dbraw/zinc/05/06/49/549050649.db2.gz HNMPWKLKPLYMCA-MCIONIFRSA-N 1 0 360.433 2.118 20 30 FEEDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2c(F)cc(C#N)cc2F)[C@@H](C)C1 ZINC000246461351 549139009 /nfs/dbraw/zinc/13/90/09/549139009.db2.gz FYEBJMIGXKTTNU-XHDPSFHLSA-N 1 0 357.426 2.187 20 30 FEEDRO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)Nc1ccn(CCC#N)n1 ZINC000246726401 549197886 /nfs/dbraw/zinc/19/78/86/549197886.db2.gz MMBVRGPKFMLCLS-DOTOQJQBSA-N 1 0 367.457 2.224 20 30 FEEDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNS(=O)(=O)c2ccc(F)c(C#N)c2)C1 ZINC000488860954 561398266 /nfs/dbraw/zinc/39/82/66/561398266.db2.gz YCLANHQXQZJZIB-OKILXGFUSA-N 1 0 353.463 2.344 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)CCN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000247012282 549264350 /nfs/dbraw/zinc/26/43/50/549264350.db2.gz XLIZXLZUVVJZCA-FXAWDEMLSA-N 1 0 373.522 2.281 20 30 FEEDRO CCN(C(=O)CN1CCN(c2nccnc2C#N)C[C@H]1C)C1CCCCC1 ZINC000247061226 549275270 /nfs/dbraw/zinc/27/52/70/549275270.db2.gz IPZOETQOJIQFFX-MRXNPFEDSA-N 1 0 370.501 2.040 20 30 FEEDRO Cc1ncc(S(=O)(=O)NCC2([NH+](C)C)CCCCCC2)cc1C#N ZINC000489111232 561403505 /nfs/dbraw/zinc/40/35/05/561403505.db2.gz OROZYFBFFOKBTG-UHFFFAOYSA-N 1 0 350.488 2.195 20 30 FEEDRO CC(C)[C@H](C#N)N1CCN(C(=O)C[NH2+][C@@H](C)[C@H](C)c2ccccc2)CC1 ZINC000248549309 549456264 /nfs/dbraw/zinc/45/62/64/549456264.db2.gz FVSLFYUEEPWBPI-BJLQDIEVSA-N 1 0 356.514 2.461 20 30 FEEDRO CC[NH+](CC)C[C@H]1CCCC[C@H]1NS(=O)(=O)c1cnc(C)c(C#N)c1 ZINC000489580499 561414773 /nfs/dbraw/zinc/41/47/73/561414773.db2.gz DGWQEHQSJKPAQX-CRAIPNDOSA-N 1 0 364.515 2.441 20 30 FEEDRO CCS[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCN([C@H](C#N)C(C)C)CC1 ZINC000248938406 549529900 /nfs/dbraw/zinc/52/99/00/549529900.db2.gz CGHZJYRNWSZNAE-KZNAEPCWSA-N 1 0 366.575 2.333 20 30 FEEDRO C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000249404577 549588868 /nfs/dbraw/zinc/58/88/68/549588868.db2.gz UFFLMZAOJBIFLS-ZWKOTPCHSA-N 1 0 372.513 2.099 20 30 FEEDRO COc1cc(C)cnc1C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000489880418 561421363 /nfs/dbraw/zinc/42/13/63/561421363.db2.gz GEWBHAMQJJXGGK-UHFFFAOYSA-N 1 0 352.438 2.474 20 30 FEEDRO C[NH+]=C(NCc1cc(N(C)C)nc2ccccc12)N(C)C[C@H]1CCOC1 ZINC000261601638 549732869 /nfs/dbraw/zinc/73/28/69/549732869.db2.gz BUUJKIREBWOFFS-OAHLLOKOSA-N 1 0 355.486 2.345 20 30 FEEDRO C=CCN(C(=O)CC[C@H]1CC[NH2+]C1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000261906463 549768733 /nfs/dbraw/zinc/76/87/33/549768733.db2.gz VUXIEQMPYDESFP-HOTGVXAUSA-N 1 0 354.458 2.128 20 30 FEEDRO COc1ccc([C@H]2CCN(C(NCc3nnc(C)n3C)=[NH+]C3CC3)C2)cc1 ZINC000261943233 549771878 /nfs/dbraw/zinc/77/18/78/549771878.db2.gz FBILAFFLDWDPRP-INIZCTEOSA-N 1 0 368.485 2.230 20 30 FEEDRO N#Cc1ccc(NC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)c(Cl)c1 ZINC000490373056 561431914 /nfs/dbraw/zinc/43/19/14/561431914.db2.gz OJHCAJTZSKTZHI-AWEZNQCLSA-N 1 0 360.845 2.237 20 30 FEEDRO O=S1(=O)CC[C@H](C[NH+]=C(NCCc2cccs2)N2CCCCC2)C1 ZINC000262414456 549818400 /nfs/dbraw/zinc/81/84/00/549818400.db2.gz PXDPJABBVYFHLL-OAHLLOKOSA-N 1 0 369.556 2.157 20 30 FEEDRO C[NH+]=C(NCC1(CO)CCOCC1)N(C)Cc1c(F)cccc1Cl ZINC000262764323 549847030 /nfs/dbraw/zinc/84/70/30/549847030.db2.gz FJCJFDVEXGPUKT-UHFFFAOYSA-N 1 0 357.857 2.275 20 30 FEEDRO C[NH+]=C(NCc1coc(-c2ccccc2)n1)N[C@@H]1CCCn2nc(C)nc21 ZINC000262785257 549849694 /nfs/dbraw/zinc/84/96/94/549849694.db2.gz MGNIXLMLPCSPHU-MRXNPFEDSA-N 1 0 365.441 2.442 20 30 FEEDRO CC[NH+]=C(NC[C@H]1CCc2nnc(C)n2C1)N[C@@H]1CCOc2ccccc21 ZINC000262805199 549851673 /nfs/dbraw/zinc/85/16/73/549851673.db2.gz SAICQBTWQNSODA-NVXWUHKLSA-N 1 0 368.485 2.228 20 30 FEEDRO CC[NH+]=C(NCc1ccnc(N2CCOCC2)c1)N1CCc2ccccc21 ZINC000263245031 549888920 /nfs/dbraw/zinc/88/89/20/549888920.db2.gz MOBPZQBVRSZNQX-UHFFFAOYSA-N 1 0 365.481 2.446 20 30 FEEDRO C[NH+]=C(NCc1cn2c(n1)CCCC2)N1CCN(c2ccccc2)CC1 ZINC000263271703 549890766 /nfs/dbraw/zinc/89/07/66/549890766.db2.gz XBWIYOPDWFDCTC-UHFFFAOYSA-N 1 0 352.486 2.117 20 30 FEEDRO C[NH+]=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)NC1CC1 ZINC000264060486 549974357 /nfs/dbraw/zinc/97/43/57/549974357.db2.gz PGMRVWBLXQHSHE-UHFFFAOYSA-N 1 0 356.392 2.369 20 30 FEEDRO Cc1ccc(NC(=[NH2+])NCc2ccc(S(=O)(=O)N(C)C)cc2)cc1C ZINC000264080901 549976941 /nfs/dbraw/zinc/97/69/41/549976941.db2.gz HGSJRLLBIHBUEE-UHFFFAOYSA-N 1 0 360.483 2.481 20 30 FEEDRO [NH2+]=C(NCCC(=O)N1CCN(c2ccc(F)cc2)CC1)Nc1ccccc1 ZINC000264128402 549982703 /nfs/dbraw/zinc/98/27/03/549982703.db2.gz XCMOSTOMFSCQJR-UHFFFAOYSA-N 1 0 369.444 2.291 20 30 FEEDRO COc1ccc(CNC(=[NH2+])NC[C@@H](O)c2ccc(Cl)cc2)cc1OC ZINC000264128339 549982822 /nfs/dbraw/zinc/98/28/22/549982822.db2.gz XAPHGQHTNGLYEU-OAHLLOKOSA-N 1 0 363.845 2.495 20 30 FEEDRO COC[C@H](C)NC(=[NH2+])NCc1cc(Br)ccc1OC(F)F ZINC000264155831 549986320 /nfs/dbraw/zinc/98/63/20/549986320.db2.gz AISZWJGJUWDJLO-QMMMGPOBSA-N 1 0 366.206 2.490 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(OCC(=O)OC)cc2)CC1 ZINC000264365513 549994457 /nfs/dbraw/zinc/99/44/57/549994457.db2.gz IIPXGCWYASJMKL-UHFFFAOYSA-N 1 0 361.442 2.400 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N(C)Cc2cnn(-c3ccccc3)n2)CC1 ZINC000264401287 549995100 /nfs/dbraw/zinc/99/51/00/549995100.db2.gz ZOEVVSAJUSBWNG-UHFFFAOYSA-N 1 0 354.458 2.059 20 30 FEEDRO N#CCCN(C(=O)CCC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccccc1 ZINC000264598610 549998553 /nfs/dbraw/zinc/99/85/53/549998553.db2.gz VGWABEKGNITFFJ-MOPGFXCFSA-N 1 0 368.481 2.456 20 30 FEEDRO C=CCNS(=O)(=O)c1ccc(C(=O)NCCCC[NH+](CC)CC)cc1 ZINC000264857626 550002057 /nfs/dbraw/zinc/00/20/57/550002057.db2.gz DFOGYDAHFQFHPI-UHFFFAOYSA-N 1 0 367.515 2.003 20 30 FEEDRO C#CCCOc1ccc(C[NH2+]CCCN2CCC[C@@H]2C(=O)N(C)C)cc1 ZINC000264985512 550004019 /nfs/dbraw/zinc/00/40/19/550004019.db2.gz VQFFZHSZKMWIDQ-HXUWFJFHSA-N 1 0 357.498 2.121 20 30 FEEDRO CCCC[N@H+](C)C[C@H](C)NC(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000491114235 561443068 /nfs/dbraw/zinc/44/30/68/561443068.db2.gz UVHWUTGDWJPJEI-RDJZCZTQSA-N 1 0 359.474 2.236 20 30 FEEDRO CC[N@@H+]1CCCN([C@H](C)C(=O)N(CCC#N)c2ccccc2OC)CC1 ZINC000265830972 550014423 /nfs/dbraw/zinc/01/44/23/550014423.db2.gz KTYKRZOBAGZLOL-QGZVFWFLSA-N 1 0 358.486 2.358 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH2+]C1CCN(CCOC)CC1 ZINC000266064594 550016639 /nfs/dbraw/zinc/01/66/39/550016639.db2.gz BMIPOOBXHHOIDZ-MRXNPFEDSA-N 1 0 365.543 2.352 20 30 FEEDRO CCc1nc(CN(C(C)=O)[C@H]2CC[N@H+](Cc3ccc(C#N)cc3)C2)no1 ZINC000266087616 550016692 /nfs/dbraw/zinc/01/66/92/550016692.db2.gz HMNHVLQMEQXBPB-KRWDZBQOSA-N 1 0 353.426 2.127 20 30 FEEDRO C[NH+](C)C1(CNC(=O)Nc2ccn(CCC#N)n2)Cc2ccccc2C1 ZINC000266373356 550019829 /nfs/dbraw/zinc/01/98/29/550019829.db2.gz FLGTXEZBCDPPFD-UHFFFAOYSA-N 1 0 352.442 2.017 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@H](COCCOC)C1)C(C)C ZINC000266650833 550022387 /nfs/dbraw/zinc/02/23/87/550022387.db2.gz HAPNEMDCFZCNOT-RBUKOAKNSA-N 1 0 367.534 2.380 20 30 FEEDRO CC(=O)c1cccc(NC(=O)CON=C(N)c2ccc(C[NH+](C)C)cc2)c1 ZINC000267002507 550026806 /nfs/dbraw/zinc/02/68/06/550026806.db2.gz HVEBUBVRMRFWEW-UHFFFAOYSA-N 1 0 368.437 2.226 20 30 FEEDRO CCOC(=O)N1CCC(NC(=[NH2+])NCCc2nc3c(cccc3C)o2)CC1 ZINC000267414346 550030964 /nfs/dbraw/zinc/03/09/64/550030964.db2.gz IYONYMABZHRDBY-UHFFFAOYSA-N 1 0 373.457 2.204 20 30 FEEDRO N#Cc1c(N)n[nH]c1CCCNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1 ZINC000267442194 550031558 /nfs/dbraw/zinc/03/15/58/550031558.db2.gz PEKVPMZMNNPBGN-UHFFFAOYSA-N 1 0 367.335 2.122 20 30 FEEDRO CC[C@@H](C)NC(=[NH2+])NCCCc1nn(-c2ccc(C)cc2)c(N)c1C#N ZINC000267446647 550031683 /nfs/dbraw/zinc/03/16/83/550031683.db2.gz QEAPMMSESRZPET-CQSZACIVSA-N 1 0 353.474 2.270 20 30 FEEDRO CCOC(=O)N1CCC(NC(=[NH2+])NCCc2cccc(F)c2F)CC1 ZINC000267433896 550031699 /nfs/dbraw/zinc/03/16/99/550031699.db2.gz NHHHQKXPIRHUBF-UHFFFAOYSA-N 1 0 354.401 2.033 20 30 FEEDRO CCCCNC(=[NH2+])NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N ZINC000267464528 550032343 /nfs/dbraw/zinc/03/23/43/550032343.db2.gz VZBMPAUGWYQNLB-UHFFFAOYSA-N 1 0 357.437 2.102 20 30 FEEDRO CO/N=C(/C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cn1)c1ccco1 ZINC000268749353 550112000 /nfs/dbraw/zinc/11/20/00/550112000.db2.gz NULNDUOHQBXNTB-RELWKKBWSA-N 1 0 371.441 2.194 20 30 FEEDRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2cccc(OCC#N)c2)C1 ZINC000269559441 550206435 /nfs/dbraw/zinc/20/64/35/550206435.db2.gz ILSYUBGPJJIUNO-INIZCTEOSA-N 1 0 372.469 2.012 20 30 FEEDRO N#CCc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)cc1 ZINC000270871090 550315776 /nfs/dbraw/zinc/31/57/76/550315776.db2.gz ODHIQTHIZRYQQP-SFTDATJTSA-N 1 0 363.461 2.365 20 30 FEEDRO C=CCOc1c(Br)cc(C[N@H+](CCO)CCCO)cc1OC ZINC000271210040 550353391 /nfs/dbraw/zinc/35/33/91/550353391.db2.gz XTRQYHUNABUCIF-UHFFFAOYSA-N 1 0 374.275 2.199 20 30 FEEDRO N#CCCN(CCC#N)C(=O)C[NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000271770600 550400776 /nfs/dbraw/zinc/40/07/76/550400776.db2.gz ITCCYLHVPKFFLE-HKUYNNGSSA-N 1 0 354.454 2.400 20 30 FEEDRO C[C@@H]([NH2+]C[C@@H](O)c1ccc(C#N)cc1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000271800959 550403012 /nfs/dbraw/zinc/40/30/12/550403012.db2.gz JYWCXMFZOAMQSY-AUUYWEPGSA-N 1 0 373.478 2.193 20 30 FEEDRO C[C@H]([NH2+]CC(=O)NC1(C#N)CCCCC1)c1ccc2c(c1)CC(=O)N2C ZINC000271804128 550403064 /nfs/dbraw/zinc/40/30/64/550403064.db2.gz KURSQCOUGZRWAQ-AWEZNQCLSA-N 1 0 354.454 2.199 20 30 FEEDRO C=CCOc1cccc(C[NH2+][C@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)c1 ZINC000272113882 550423391 /nfs/dbraw/zinc/42/33/91/550423391.db2.gz YDVQJASVCMEPHI-WMZOPIPTSA-N 1 0 351.468 2.077 20 30 FEEDRO Cc1cc(NC(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)nn1CCC#N ZINC000272142605 550425180 /nfs/dbraw/zinc/42/51/80/550425180.db2.gz WTEXBPWUANPUAL-QGZVFWFLSA-N 1 0 354.458 2.400 20 30 FEEDRO C[C@@H](NS(=O)(=O)c1ccc(C#N)nc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272405825 550444818 /nfs/dbraw/zinc/44/48/18/550444818.db2.gz KPQURQZRTKWBML-WBVHZDCISA-N 1 0 370.478 2.142 20 30 FEEDRO CC(C)Oc1ccc(NC(=O)C(=O)NCC2(C)CC[NH+](C)CC2)cc1C#N ZINC000272442109 550448370 /nfs/dbraw/zinc/44/83/70/550448370.db2.gz AUZVAEKJNYFSAL-UHFFFAOYSA-N 1 0 372.469 2.132 20 30 FEEDRO COc1ccc(CCNC(=[NH2+])NCCCCNC(=O)OC(C)(C)C)cc1 ZINC000272635885 550462198 /nfs/dbraw/zinc/46/21/98/550462198.db2.gz MPZXYAYGMXBCCI-UHFFFAOYSA-N 1 0 364.490 2.447 20 30 FEEDRO CC(C)N1CC[NH+](C2CCN(c3nc4ccccn4c3C#N)CC2)CC1 ZINC000272957967 550478282 /nfs/dbraw/zinc/47/82/82/550478282.db2.gz ZCCSQEFRVSZYOY-UHFFFAOYSA-N 1 0 352.486 2.201 20 30 FEEDRO CN(CCC#N)c1ccc(CN2CCN(c3ncc(F)cn3)CC2)cc1 ZINC000273797362 550511602 /nfs/dbraw/zinc/51/16/02/550511602.db2.gz WLOZGKBFUIUDBN-UHFFFAOYSA-N 1 0 354.433 2.288 20 30 FEEDRO C#CCN(CC(=O)NCCc1ccc(OC(F)F)c(OC)c1)C1CC1 ZINC000274130538 550524539 /nfs/dbraw/zinc/52/45/39/550524539.db2.gz IGRAIDHYRZDDAG-UHFFFAOYSA-N 1 0 352.381 2.053 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N2CCC(c3nnc4n3CCCC4)CC2)CC1 ZINC000274880877 550562139 /nfs/dbraw/zinc/56/21/39/550562139.db2.gz ZKHLWMBYJAMMDI-UHFFFAOYSA-N 1 0 372.517 2.154 20 30 FEEDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)Nc1ncccc1OCCCC#N ZINC000276057882 550576329 /nfs/dbraw/zinc/57/63/29/550576329.db2.gz JVMHZELXSWBWPB-HNNXBMFYSA-N 1 0 363.462 2.242 20 30 FEEDRO C=CCOc1ccc(C[N@@H+](C)CCOCCOCCOC)cc1OC ZINC000276153576 550576992 /nfs/dbraw/zinc/57/69/92/550576992.db2.gz GUVPOWDZCCRNCV-UHFFFAOYSA-N 1 0 353.459 2.371 20 30 FEEDRO C[C@@H](NC(=O)C(=O)Nc1ccccc1SCCC#N)C1=CC[N@H+](C)CC1 ZINC000276190369 550577280 /nfs/dbraw/zinc/57/72/80/550577280.db2.gz UUBJUBUEFYLRFB-CQSZACIVSA-N 1 0 372.494 2.397 20 30 FEEDRO C=C(C)CS(=O)(=O)NCc1ccc(OCC[NH+](CC)CC)c(OC)c1 ZINC000276649151 550581483 /nfs/dbraw/zinc/58/14/83/550581483.db2.gz YVHBZRIKMFIMKQ-UHFFFAOYSA-N 1 0 370.515 2.411 20 30 FEEDRO C[C@@H]1COCC[C@H]1NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000277516778 550679902 /nfs/dbraw/zinc/67/99/02/550679902.db2.gz OXHLAQSWMUREMO-VQIMIIECSA-N 1 0 356.470 2.201 20 30 FEEDRO CCOC(=O)c1n[nH]c(C2CC[NH+](CCOc3ccc(C#N)cc3)CC2)n1 ZINC000277836973 550720104 /nfs/dbraw/zinc/72/01/04/550720104.db2.gz RWPKAMUVINCMCX-UHFFFAOYSA-N 1 0 369.425 2.111 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(-c3cnn(C)c3)nn2)CC1 ZINC000278709971 550813876 /nfs/dbraw/zinc/81/38/76/550813876.db2.gz KONFQKVDQOYKHT-UHFFFAOYSA-N 1 0 355.446 2.039 20 30 FEEDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)[C@H]1OC ZINC000279331738 550878377 /nfs/dbraw/zinc/87/83/77/550878377.db2.gz CZOOGSREGTUZPU-YQVWRLOYSA-N 1 0 355.442 2.141 20 30 FEEDRO COCCOC[C@@H]1CC[N@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000279438738 550890249 /nfs/dbraw/zinc/89/02/49/550890249.db2.gz RDLWNIDLXCSCMT-QGZVFWFLSA-N 1 0 369.469 2.344 20 30 FEEDRO CC(=O)N1CCC[C@H](CNC(=[NH2+])NCc2cccc(C(F)(F)F)c2)C1 ZINC000279933805 550944523 /nfs/dbraw/zinc/94/45/23/550944523.db2.gz GKUBXSFVWPTNAQ-CQSZACIVSA-N 1 0 356.392 2.368 20 30 FEEDRO C[C@@H]1C[N@@H+](CCCCNC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)C[C@H](C)O1 ZINC000280172607 550967812 /nfs/dbraw/zinc/96/78/12/550967812.db2.gz CKMBFCOWZHLBRQ-QKLQHJQFSA-N 1 0 368.481 2.246 20 30 FEEDRO C[NH+](C)CCCOC1CCN(C(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)CC1 ZINC000280389319 550988266 /nfs/dbraw/zinc/98/82/66/550988266.db2.gz NHIJZKAXEHAQAK-LJQANCHMSA-N 1 0 368.481 2.200 20 30 FEEDRO C[C@H]1OCC[C@@]12C[N@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)CCO2 ZINC000280472339 550997840 /nfs/dbraw/zinc/99/78/40/550997840.db2.gz PBGGSHIVOHACER-FZKQIMNGSA-N 1 0 363.845 2.420 20 30 FEEDRO CCN1CC[NH+](C[C@H](C)CNC(=O)c2ccc(C(C)(C)C#N)cc2)CC1 ZINC000280501631 551000910 /nfs/dbraw/zinc/00/09/10/551000910.db2.gz LBKKEVXRJCFRJQ-QGZVFWFLSA-N 1 0 356.514 2.491 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)[C@H]1CS[C@]2(C)CCC(=O)N12)C(C)C ZINC000496013453 561491724 /nfs/dbraw/zinc/49/17/24/561491724.db2.gz ITCWIKUZNUOXFE-GPMSIDNRSA-N 1 0 365.543 2.255 20 30 FEEDRO Cc1oc(C#N)cc1C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000280840955 551037947 /nfs/dbraw/zinc/03/79/47/551037947.db2.gz XJGZJWDZSNBDSV-HNNXBMFYSA-N 1 0 366.421 2.409 20 30 FEEDRO CCCN(CC[NH+](C)C)C(=O)[C@@H]1CCCN(c2nc(C)ccc2C#N)C1 ZINC000496246401 561493303 /nfs/dbraw/zinc/49/33/03/561493303.db2.gz SPEFGMIPKULCMW-GOSISDBHSA-N 1 0 357.502 2.278 20 30 FEEDRO C=CCN1CC[C@H]([N@H+](C)CCOc2ccc3c(C)cc(=O)oc3c2)C1=O ZINC000281180148 551071185 /nfs/dbraw/zinc/07/11/85/551071185.db2.gz AWYTWYPEGIITOM-KRWDZBQOSA-N 1 0 356.422 2.199 20 30 FEEDRO C=CCN1CC[C@@H]([N@H+](C)C[C@@H](O)COc2cccc(C(F)(F)F)c2)C1=O ZINC000281500476 551105699 /nfs/dbraw/zinc/10/56/99/551105699.db2.gz XZLFUFIJULRGQC-GDBMZVCRSA-N 1 0 372.387 2.164 20 30 FEEDRO CCN(CC(=O)Nc1sc2c(c1C#N)CCCCC2)[C@H]1CCNC1=O ZINC000281511832 551107094 /nfs/dbraw/zinc/10/70/94/551107094.db2.gz ABXRNHZKAJPQTF-AWEZNQCLSA-N 1 0 360.483 2.038 20 30 FEEDRO C=CCN1CC[C@H]([N@@H+]2CCCN(c3cc(OC)cc(OC)c3)CC2)C1=O ZINC000282027840 551171643 /nfs/dbraw/zinc/17/16/43/551171643.db2.gz PTZMRZQGZRPBHU-IBGZPJMESA-N 1 0 359.470 2.003 20 30 FEEDRO C=CCn1c(-c2ccccc2)nnc1N1CC[C@@H](CN2CCOCC2)C1 ZINC000282302702 551208989 /nfs/dbraw/zinc/20/89/89/551208989.db2.gz OUZQVKLPCXGPBJ-KRWDZBQOSA-N 1 0 353.470 2.290 20 30 FEEDRO C=CCn1c(C(=O)NC(C)C)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC000282541257 551244004 /nfs/dbraw/zinc/24/40/04/551244004.db2.gz HZKWZAFSTVNVNK-UHFFFAOYSA-N 1 0 360.506 2.057 20 30 FEEDRO C[C@H](C#N)CN(C)S(=O)(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000282556952 551246024 /nfs/dbraw/zinc/24/60/24/551246024.db2.gz FFYZMHPSCXTRFC-CABCVRRESA-N 1 0 352.504 2.042 20 30 FEEDRO C[C@H](CC#N)N(C)S(=O)(=O)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000283037478 551301572 /nfs/dbraw/zinc/30/15/72/551301572.db2.gz QWVAJIQTYURMRV-SJORKVTESA-N 1 0 364.515 2.062 20 30 FEEDRO N#Cc1ccc(C[NH2+][C@H]2CCN(C(=O)COc3ccccc3)C2)c(F)c1 ZINC000283105338 551312338 /nfs/dbraw/zinc/31/23/38/551312338.db2.gz XOYSPGVGKOVYLI-KRWDZBQOSA-N 1 0 353.397 2.467 20 30 FEEDRO C=C(C)Cn1c(-c2ccc[nH]2)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC000283155680 551320544 /nfs/dbraw/zinc/32/05/44/551320544.db2.gz DXYGULHPKDYEHQ-UHFFFAOYSA-N 1 0 356.474 2.150 20 30 FEEDRO C=C(C)Cn1c(-c2cccnc2)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC000283243267 551335031 /nfs/dbraw/zinc/33/50/31/551335031.db2.gz KSXIGIRRRCOIQD-UHFFFAOYSA-N 1 0 368.485 2.217 20 30 FEEDRO C=C1CCN(c2nnc(CC[NH+]3CCN(c4ccccc4)CC3)n2C)CC1 ZINC000283434562 551365635 /nfs/dbraw/zinc/36/56/35/551365635.db2.gz HLZNUBXWRSKIJL-UHFFFAOYSA-N 1 0 366.513 2.336 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)CCc2ccccc2)CC1 ZINC000283456590 551369174 /nfs/dbraw/zinc/36/91/74/551369174.db2.gz DKHRNJVFHFTDTD-KRWDZBQOSA-N 1 0 357.498 2.281 20 30 FEEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000283812134 551431143 /nfs/dbraw/zinc/43/11/43/551431143.db2.gz IOTYUTMWUIQXAD-KRWDZBQOSA-N 1 0 373.497 2.058 20 30 FEEDRO N#Cc1ccc(N2C(=O)C[C@@H]([NH+]3CCC4(CCOCC4)CC3)C2=O)cc1 ZINC000283817129 551432254 /nfs/dbraw/zinc/43/22/54/551432254.db2.gz DVJOCIYGVQILPD-QGZVFWFLSA-N 1 0 353.422 2.083 20 30 FEEDRO C[C@H](NC(=O)C(=O)NCCCC[N@@H+]1CCC[C@H](C)C1)c1ccc(C#N)cc1 ZINC000283974822 551460412 /nfs/dbraw/zinc/46/04/12/551460412.db2.gz LRVXGGWHSDZICE-IRXDYDNUSA-N 1 0 370.497 2.364 20 30 FEEDRO C[C@H]1CCCC[C@@H]1NC(=S)C(C(=O)c1cnn(C)n1)[n+]1ccccc1 ZINC000284051353 551475050 /nfs/dbraw/zinc/47/50/50/551475050.db2.gz JGFZYUCBOYKEPP-KBPBESRZSA-O 1 0 358.491 2.210 20 30 FEEDRO C=CCCCNC(=O)C(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000284354073 551530933 /nfs/dbraw/zinc/53/09/33/551530933.db2.gz KXAAKCRNRUAICU-SFHVURJKSA-N 1 0 359.470 2.031 20 30 FEEDRO C=CCCN(C)C(=O)C(=O)NC[C@@H](c1cccc(OC)c1)[NH+](CC)CC ZINC000284353114 551531236 /nfs/dbraw/zinc/53/12/36/551531236.db2.gz OCFCFMCHZXBGRX-SFHVURJKSA-N 1 0 361.486 2.229 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC000498381653 561523714 /nfs/dbraw/zinc/52/37/14/561523714.db2.gz GOOOSCWJYIDYBZ-GOSISDBHSA-N 1 0 370.497 2.095 20 30 FEEDRO CC[N@@H+]1C[C@H](C)N(C(=O)[C@H]2CCCN(c3nc(C)ccc3C#N)C2)C[C@H]1C ZINC000498572147 561529053 /nfs/dbraw/zinc/52/90/53/561529053.db2.gz OAAUIXURUMVZAU-AOIWGVFYSA-N 1 0 369.513 2.419 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(F)c(C(C)=O)c2)CC1 ZINC000498769424 561534272 /nfs/dbraw/zinc/53/42/72/561534272.db2.gz MTFIORFMWXARMF-UHFFFAOYSA-N 1 0 361.417 2.124 20 30 FEEDRO Cc1oc(NC(=O)CN2CCC[C@](O)(C(F)(F)F)CC2)c(C#N)c1C ZINC000285355017 551743077 /nfs/dbraw/zinc/74/30/77/551743077.db2.gz ABDYBMNRABJJMY-OAHLLOKOSA-N 1 0 359.348 2.486 20 30 FEEDRO CC(C)[C@H](CNC(=O)C(C)(C)c1cc(F)cc(C#N)c1)[NH+]1CCN(C)CC1 ZINC000285360726 551743544 /nfs/dbraw/zinc/74/35/44/551743544.db2.gz AJPAKBKTDVBTAY-IBGZPJMESA-N 1 0 374.504 2.363 20 30 FEEDRO C=CCN(CCc1ccccc1)C(=O)C(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000285722977 551800930 /nfs/dbraw/zinc/80/09/30/551800930.db2.gz DKNAXRTVLXOIPH-FQEVSTJZSA-N 1 0 371.525 2.480 20 30 FEEDRO N#CCCN(CCC#N)C(=O)C[N@@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 ZINC000286065171 551844686 /nfs/dbraw/zinc/84/46/86/551844686.db2.gz RRLKXAPTYZSBBD-AABGKKOBSA-N 1 0 366.465 2.147 20 30 FEEDRO Cc1nsc(N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)c1C#N ZINC000286248183 551865606 /nfs/dbraw/zinc/86/56/06/551865606.db2.gz VANMUPKXJIHWQM-UHFFFAOYSA-N 1 0 361.515 2.142 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N2CCCCC[C@H]2c2ccco2)CC1 ZINC000286461049 551888286 /nfs/dbraw/zinc/88/82/86/551888286.db2.gz IBWWWNDQUKQIIY-KRWDZBQOSA-N 1 0 359.470 2.490 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H]2c2ccc(OC)cc2)CC1 ZINC000286492217 551892368 /nfs/dbraw/zinc/89/23/68/551892368.db2.gz JWOPELRADPBMIE-LJQANCHMSA-N 1 0 371.481 2.125 20 30 FEEDRO C=CCOc1ccc(CNC(=O)N[C@H](C)CC[NH+]2CCN(C)CC2)cc1 ZINC000286684071 551914489 /nfs/dbraw/zinc/91/44/89/551914489.db2.gz FTKSEYHLKBLGGC-QGZVFWFLSA-N 1 0 360.502 2.077 20 30 FEEDRO C=CCOc1ccc(CNC(=O)NC2CCN(CC[NH+](C)C)CC2)cc1 ZINC000287095566 551963088 /nfs/dbraw/zinc/96/30/88/551963088.db2.gz MWRWEXJGXULJAJ-UHFFFAOYSA-N 1 0 360.502 2.077 20 30 FEEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@H]([NH+]2CCCC2)[C@@H]1C ZINC000287376987 551996350 /nfs/dbraw/zinc/99/63/50/551996350.db2.gz XNBZVXDVQXQTDJ-YJBOKZPZSA-N 1 0 356.470 2.294 20 30 FEEDRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)c1ccc(C#N)o1 ZINC000287680064 552033571 /nfs/dbraw/zinc/03/35/71/552033571.db2.gz DQJRTIUHTXMYBY-INIZCTEOSA-N 1 0 359.451 2.294 20 30 FEEDRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+]CCCC2(C#N)CCOCC2)c1 ZINC000499602204 561554327 /nfs/dbraw/zinc/55/43/27/561554327.db2.gz KZMBZINGVOHJJR-HNNXBMFYSA-N 1 0 365.499 2.346 20 30 FEEDRO N#Cc1ccnc(C(=O)NC2CC[NH+](CCOc3ccc(F)cc3)CC2)c1 ZINC000288205855 552110220 /nfs/dbraw/zinc/11/02/20/552110220.db2.gz YOXZCGKODWXZJP-UHFFFAOYSA-N 1 0 368.412 2.366 20 30 FEEDRO CC[N@@H+]1CCN(C(=O)C2CCN(c3ccc(C#N)cc3F)CC2)[C@H](C)C1 ZINC000288350985 552138716 /nfs/dbraw/zinc/13/87/16/552138716.db2.gz JBLYGLDNEDOESM-OAHLLOKOSA-N 1 0 358.461 2.466 20 30 FEEDRO NC(=[NH+]OCC[C@H](O)c1ccccc1)c1ccc(N2CCC(O)CC2)cc1 ZINC000288752681 552205960 /nfs/dbraw/zinc/20/59/60/552205960.db2.gz YGZZJBOJYICNML-FQEVSTJZSA-N 1 0 369.465 2.408 20 30 FEEDRO CC(C)(C)OC(=O)N1CCN2C(NC[C@H]3COc4ccccc43)=[NH+]C[C@@H]2C1 ZINC000288778774 552211370 /nfs/dbraw/zinc/21/13/70/552211370.db2.gz WCFXEAQIQNJGLP-LSDHHAIUSA-N 1 0 372.469 2.043 20 30 FEEDRO COCC[N@H+](C)CC[C@@H](NC(=O)Cc1noc(C)c1C#N)c1ccccc1 ZINC000499960970 561563015 /nfs/dbraw/zinc/56/30/15/561563015.db2.gz VPKSNEORFDAASF-GOSISDBHSA-N 1 0 370.453 2.223 20 30 FEEDRO CC[C@H]1CN(S(=O)(=O)c2cncc(C#N)c2)CCN1Cc1ccccc1 ZINC000289426368 552319386 /nfs/dbraw/zinc/31/93/86/552319386.db2.gz IMZKHJMLLVTVNT-SFHVURJKSA-N 1 0 370.478 2.238 20 30 FEEDRO C=CCN(CC=C)C(=O)C[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1C ZINC000289427599 552320077 /nfs/dbraw/zinc/32/00/77/552320077.db2.gz VGQYTCOYEKRVLC-HZPDHXFCSA-N 1 0 351.491 2.422 20 30 FEEDRO N#CCCn1cc(C[NH2+]CCN2CCCOCC2)c(-c2ccccc2)n1 ZINC000289535919 552336814 /nfs/dbraw/zinc/33/68/14/552336814.db2.gz WJSFALDYTBADPW-UHFFFAOYSA-N 1 0 353.470 2.276 20 30 FEEDRO CC1CC[NH+](C2CCC(NS(=O)(=O)c3cncc(C#N)c3)CC2)CC1 ZINC000289549931 552339200 /nfs/dbraw/zinc/33/92/00/552339200.db2.gz UJBLWSBGQDDEOP-UHFFFAOYSA-N 1 0 362.499 2.275 20 30 FEEDRO C=CCOc1ccc(C[N@@H+]2CCC[C@H]2C[C@]2(C)NC(=O)NC2=O)cc1OC ZINC000289570274 552342574 /nfs/dbraw/zinc/34/25/74/552342574.db2.gz JMKNINBYVCHRIE-YWZLYKJASA-N 1 0 373.453 2.213 20 30 FEEDRO C=C(C)CN(Cc1ccccc1)C(=O)C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1 ZINC000289852113 552389409 /nfs/dbraw/zinc/38/94/09/552389409.db2.gz VBNKVLXBCXRKFA-KRWDZBQOSA-N 1 0 355.482 2.358 20 30 FEEDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(S(=O)(=O)c2cncc(C#N)c2)C1 ZINC000289875546 552392790 /nfs/dbraw/zinc/39/27/90/552392790.db2.gz RCSYXUZROYTNPD-CVEARBPZSA-N 1 0 362.499 2.228 20 30 FEEDRO COc1cc[nH+]c(N2CCN(C(=O)Nc3ccc(C#N)c(F)c3)CC2)c1 ZINC000289986515 552409974 /nfs/dbraw/zinc/40/99/74/552409974.db2.gz YDINQKGZVHKVBZ-UHFFFAOYSA-N 1 0 355.373 2.455 20 30 FEEDRO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@@H]1N2S(=O)(=O)c1cccnc1C#N ZINC000290026120 552416019 /nfs/dbraw/zinc/41/60/19/552416019.db2.gz BKMUUOBRTKSZFH-QAPCUYQASA-N 1 0 368.462 2.258 20 30 FEEDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1c1nnc(-c2ccc(C#N)cc2)n1C ZINC000290138599 552433370 /nfs/dbraw/zinc/43/33/70/552433370.db2.gz FZUMKVMWBREIIO-OAHLLOKOSA-N 1 0 366.469 2.043 20 30 FEEDRO C=CCOCC(=O)NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000500906336 561585522 /nfs/dbraw/zinc/58/55/22/561585522.db2.gz KETRVXWHVWCOKR-UHFFFAOYSA-N 1 0 351.878 2.171 20 30 FEEDRO COCCCN1Cc2cccc([N-]S(=O)(=O)c3cncc(C#N)c3)c2C1 ZINC000290946020 552566501 /nfs/dbraw/zinc/56/65/01/552566501.db2.gz MCZRTPVLBAWLQC-UHFFFAOYSA-N 1 0 372.450 2.106 20 30 FEEDRO C=C[C@@H](CO)NC(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000291024740 552577329 /nfs/dbraw/zinc/57/73/29/552577329.db2.gz OFBMCTJWYGGCPO-INIZCTEOSA-N 1 0 351.878 2.398 20 30 FEEDRO C=C(C)Cn1c(C(=O)NC(C)C)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC000291048394 552580452 /nfs/dbraw/zinc/58/04/52/552580452.db2.gz ORNRKIJLMVNGNM-UHFFFAOYSA-N 1 0 374.533 2.447 20 30 FEEDRO COCCCN(C(=O)Cc1ccc(OCC#N)cc1)C1CC[NH+](C)CC1 ZINC000291229367 552603185 /nfs/dbraw/zinc/60/31/85/552603185.db2.gz OZGJECMPBIXNDY-UHFFFAOYSA-N 1 0 359.470 2.091 20 30 FEEDRO C=CCN(CC=C)C(=O)C[NH2+][C@H](C)c1ccc(N2CCCNC2=O)cc1 ZINC000291241353 552605263 /nfs/dbraw/zinc/60/52/63/552605263.db2.gz NDIBOFQMTKRDTJ-MRXNPFEDSA-N 1 0 356.470 2.458 20 30 FEEDRO Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)Nc2ccc(C#N)c(F)c2)o1 ZINC000291290853 552610870 /nfs/dbraw/zinc/61/08/70/552610870.db2.gz MLAIXOGQFNAUAW-UHFFFAOYSA-N 1 0 372.400 2.128 20 30 FEEDRO CCc1nnc(CNC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)s1 ZINC000291476369 552628306 /nfs/dbraw/zinc/62/83/06/552628306.db2.gz NJGGUGJADZAQJH-UHFFFAOYSA-N 1 0 372.498 2.246 20 30 FEEDRO COc1cc(C#N)ccc1OCC[NH2+][C@H](C(N)=O)[C@@H](C)c1ccccc1 ZINC000292039685 552687197 /nfs/dbraw/zinc/68/71/97/552687197.db2.gz AJIJBDFGNZPVCH-LIRRHRJNSA-N 1 0 353.422 2.193 20 30 FEEDRO COc1cc(/C=C/C(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)ccc1OCC#N ZINC000292431130 552726204 /nfs/dbraw/zinc/72/62/04/552726204.db2.gz WCTFPHWBJFVYHY-PEAOBZDDSA-N 1 0 355.438 2.165 20 30 FEEDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)C1 ZINC000292601887 552742095 /nfs/dbraw/zinc/74/20/95/552742095.db2.gz NCYGXYVRMASBJM-ROUUACIJSA-N 1 0 371.485 2.094 20 30 FEEDRO C#CCNC(=O)CC[NH+]1CCN(Cc2csc(-c3ccccc3)n2)CC1 ZINC000292693792 552750089 /nfs/dbraw/zinc/75/00/89/552750089.db2.gz ARCKTPLAMJXTSV-UHFFFAOYSA-N 1 0 368.506 2.067 20 30 FEEDRO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3ccccc3N3CCOCC3)C2)nc1 ZINC000292702900 552751055 /nfs/dbraw/zinc/75/10/55/552751055.db2.gz COEFDRTVPBZICJ-IBGZPJMESA-N 1 0 364.449 2.443 20 30 FEEDRO C=C(C)Cn1c([C@@H](C)CC)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000292857746 552765538 /nfs/dbraw/zinc/76/55/38/552765538.db2.gz GPPLLIZSSYOLEV-DLBZAZTESA-N 1 0 374.533 2.111 20 30 FEEDRO CC[NH+](CC)CCN(CCOC)C(=O)c1cnc(C(F)(F)F)c(C#N)c1 ZINC000293176335 552796223 /nfs/dbraw/zinc/79/62/23/552796223.db2.gz UUOJGASTYMCZGP-UHFFFAOYSA-N 1 0 372.391 2.402 20 30 FEEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000293535927 552833173 /nfs/dbraw/zinc/83/31/73/552833173.db2.gz OCBQNLQORWYKRY-SOUVJXGZSA-N 1 0 374.510 2.428 20 30 FEEDRO C#CCNC(=O)CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)OC(C)(C)C)C1 ZINC000294024785 552876329 /nfs/dbraw/zinc/87/63/29/552876329.db2.gz HQDCGRYPZYVRJH-ZWKOTPCHSA-N 1 0 371.481 2.119 20 30 FEEDRO CN(C)c1cc(C#N)cc(C(=O)NC2CC[NH+](Cc3cccnc3)CC2)c1 ZINC000294276671 552893410 /nfs/dbraw/zinc/89/34/10/552893410.db2.gz MCOWJKBWNNBROY-UHFFFAOYSA-N 1 0 363.465 2.414 20 30 FEEDRO COCCOC1(C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)CCOCC1 ZINC000294699020 552927924 /nfs/dbraw/zinc/92/79/24/552927924.db2.gz CWWFEGKHCYLUHF-UHFFFAOYSA-N 1 0 373.497 2.329 20 30 FEEDRO CN(CC[N@H+](C)CC(C)(C)CCC#N)c1ccc(S(N)(=O)=O)cc1 ZINC000295046475 552954114 /nfs/dbraw/zinc/95/41/14/552954114.db2.gz NAYDCDFGNITALC-UHFFFAOYSA-N 1 0 352.504 2.032 20 30 FEEDRO COc1ccc(C[N@H+](C)[C@H]2CCN3CCO[C@H]2C3)cc1OCCCC#N ZINC000295115679 552960398 /nfs/dbraw/zinc/96/03/98/552960398.db2.gz MLGJWCYUYPAGPW-PXNSSMCTSA-N 1 0 359.470 2.283 20 30 FEEDRO COc1ccc(C[NH2+][C@H]2CCCN(CCCO)C2)cc1OCCCC#N ZINC000295209263 552970196 /nfs/dbraw/zinc/97/01/96/552970196.db2.gz ZVNUVKOMWBEGQK-SFHVURJKSA-N 1 0 361.486 2.314 20 30 FEEDRO C#CCO[C@H](C)C(=O)Nc1ccnn1[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000295413737 553002537 /nfs/dbraw/zinc/00/25/37/553002537.db2.gz DIKJFUVYADKMJB-SJLPKXTDSA-N 1 0 352.438 2.307 20 30 FEEDRO N#Cc1cccc(NC(=O)C2CC[NH+](C[C@H]3CCNC(=O)CC3)CC2)c1 ZINC000295730485 553051228 /nfs/dbraw/zinc/05/12/28/553051228.db2.gz VVIWYXMOVNMWSG-OAHLLOKOSA-N 1 0 354.454 2.125 20 30 FEEDRO C=CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[NH+]([C@@H](C)CC)CC1 ZINC000296024966 553091222 /nfs/dbraw/zinc/09/12/22/553091222.db2.gz SERTUPXZSUQEIR-HNNXBMFYSA-N 1 0 369.473 2.032 20 30 FEEDRO C=CCn1c(Cn2nc(C)cc2C)nnc1N1CC[NH+]([C@H](C)CC)CC1 ZINC000296066974 553099289 /nfs/dbraw/zinc/09/92/89/553099289.db2.gz WIPABBOHNZMFRX-MRXNPFEDSA-N 1 0 357.506 2.246 20 30 FEEDRO CCC[C@H]([NH2+]C(C)C)C(=O)N1C[C@@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000502553454 561620975 /nfs/dbraw/zinc/62/09/75/561620975.db2.gz HLOUPINLXGCOBT-LIVBEALHSA-N 1 0 354.454 2.025 20 30 FEEDRO C#CCOc1ccc(CNC(=O)NCC2([NH+]3CCCC3)CCOCC2)cc1 ZINC000296589775 553183808 /nfs/dbraw/zinc/18/38/08/553183808.db2.gz ZOKYOGCZHPBTQD-UHFFFAOYSA-N 1 0 371.481 2.143 20 30 FEEDRO C[C@H]1CN([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC[N@@H+](C2CC2)C1 ZINC000296695564 553199471 /nfs/dbraw/zinc/19/94/71/553199471.db2.gz KFRWRSHBEBYKJM-UZLBHIALSA-N 1 0 352.482 2.470 20 30 FEEDRO N#Cc1cccnc1N1CCN(C(=O)NCCCCC[NH+]2CCCC2)CC1 ZINC000296737300 553204804 /nfs/dbraw/zinc/20/48/04/553204804.db2.gz DFWGKYSGHIPKMF-UHFFFAOYSA-N 1 0 370.501 2.051 20 30 FEEDRO CNC(=O)[C@H]1CCC[C@H]1[NH2+]CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000502835794 561627173 /nfs/dbraw/zinc/62/71/73/561627173.db2.gz HMZASVBZGJGIOR-JKSUJKDBSA-N 1 0 362.861 2.091 20 30 FEEDRO CCOc1ccc(N(CCC#N)C(=O)C[NH2+][C@@H]2CCC[C@@H]2CCO)cc1 ZINC000502855186 561627934 /nfs/dbraw/zinc/62/79/34/561627934.db2.gz KCQVGAIJODXJSQ-VQIMIIECSA-N 1 0 359.470 2.473 20 30 FEEDRO N#Cc1cc(Br)cnc1N1CC[NH+](CC2CCOCC2)CC1 ZINC000296980077 553237830 /nfs/dbraw/zinc/23/78/30/553237830.db2.gz DSDLPEVUDSBRRM-UHFFFAOYSA-N 1 0 365.275 2.264 20 30 FEEDRO COc1cncnc1NC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000297322274 553277983 /nfs/dbraw/zinc/27/79/83/553277983.db2.gz CULBUAYNHDCFHW-UHFFFAOYSA-N 1 0 366.425 2.097 20 30 FEEDRO N#Cc1ccc(N2CC[C@@H](C(=O)NCc3ccc4c[nH+]cn4c3)C2)c(F)c1 ZINC000297374581 553284597 /nfs/dbraw/zinc/28/45/97/553284597.db2.gz VZPGTXASFYGZLQ-MRXNPFEDSA-N 1 0 363.396 2.488 20 30 FEEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CCn2cncc2C1 ZINC000297915523 553356720 /nfs/dbraw/zinc/35/67/20/553356720.db2.gz SVEVGPXFJQOQIZ-UHFFFAOYSA-N 1 0 364.858 2.155 20 30 FEEDRO C=CCN(C)C(=O)C(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000298190746 553396353 /nfs/dbraw/zinc/39/63/53/553396353.db2.gz WKRPUVZCTGQJFH-UHFFFAOYSA-N 1 0 355.482 2.146 20 30 FEEDRO CC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2)[C@H]1CCNC1=O ZINC000298419094 553423042 /nfs/dbraw/zinc/42/30/42/553423042.db2.gz FUMPNMLYFFAJSL-DOMZBBRYSA-N 1 0 374.510 2.284 20 30 FEEDRO COc1ccc(CN(C)CC(=O)NCc2ccc(C#N)cc2)c(OC)c1 ZINC000298454075 553426635 /nfs/dbraw/zinc/42/66/35/553426635.db2.gz IMNUZECVODGGDD-UHFFFAOYSA-N 1 0 353.422 2.324 20 30 FEEDRO C[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000298593026 553445882 /nfs/dbraw/zinc/44/58/82/553445882.db2.gz ZAYCFEDABSOWEU-HNNXBMFYSA-N 1 0 356.470 2.417 20 30 FEEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N(C)CCC[NH+]1CCCC1 ZINC000298635329 553452208 /nfs/dbraw/zinc/45/22/08/553452208.db2.gz VCPZVHBTMQTZGF-UHFFFAOYSA-N 1 0 373.497 2.154 20 30 FEEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000298929319 553490961 /nfs/dbraw/zinc/49/09/61/553490961.db2.gz HKGKUDWKBFXJGN-CQSZACIVSA-N 1 0 358.486 2.447 20 30 FEEDRO C=CCN(CCc1ccccc1)C(=O)C(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000299225959 553533551 /nfs/dbraw/zinc/53/35/51/553533551.db2.gz XMPVIMGRUAFPQG-UHFFFAOYSA-N 1 0 357.498 2.186 20 30 FEEDRO C[C@@H](CNC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)[NH+](C)C ZINC000299342619 553550421 /nfs/dbraw/zinc/55/04/21/553550421.db2.gz UGSJTSFOPYFIHA-AWEZNQCLSA-N 1 0 366.421 2.355 20 30 FEEDRO C[NH+]1CCC(NC(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)CC1 ZINC000299483773 553569640 /nfs/dbraw/zinc/56/96/40/553569640.db2.gz CZUPWJINJADKOH-UHFFFAOYSA-N 1 0 369.469 2.013 20 30 FEEDRO CC[NH+](CC)CCNC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000299495165 553571276 /nfs/dbraw/zinc/57/12/76/553571276.db2.gz IDLRLFKBIWFYGV-UHFFFAOYSA-N 1 0 371.485 2.260 20 30 FEEDRO CCC[C@H]([NH2+]C(C)C)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000504335909 561656527 /nfs/dbraw/zinc/65/65/27/561656527.db2.gz HYANJLHWHCGTSD-ROUUACIJSA-N 1 0 356.470 2.337 20 30 FEEDRO C#CCC[NH+]1CCN(CCC(=O)Nc2ccccc2Br)CC1 ZINC000299733712 553609248 /nfs/dbraw/zinc/60/92/48/553609248.db2.gz YYCQAFIBXUSMCO-UHFFFAOYSA-N 1 0 364.287 2.419 20 30 FEEDRO CN1CC[NH+](CC2CCN(c3nc(C(F)(F)F)ccc3C#N)CC2)CC1 ZINC000301306198 553640636 /nfs/dbraw/zinc/64/06/36/553640636.db2.gz USAPSGSFFZPKSC-UHFFFAOYSA-N 1 0 367.419 2.436 20 30 FEEDRO Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000602953199 553678481 /nfs/dbraw/zinc/67/84/81/553678481.db2.gz XPOPZIQLEPSRRC-UHFFFAOYSA-N 1 0 353.430 2.005 20 30 FEEDRO COCc1ccccc1NC(=[NH2+])NCC(=O)N1CCc2sccc2C1 ZINC000305020396 553747957 /nfs/dbraw/zinc/74/79/57/553747957.db2.gz FRYGUKOFSKWPPI-UHFFFAOYSA-N 1 0 358.467 2.206 20 30 FEEDRO CNC(=O)[C@@H]1CN(C(=O)[C@@]23CCC[C@@H]2C[N@H+](Cc2ccccc2)C3)CCO1 ZINC000328602036 553795229 /nfs/dbraw/zinc/79/52/29/553795229.db2.gz GNKULCBVFOPBQF-LVCYWYKZSA-N 1 0 371.481 2.102 20 30 FEEDRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)N[C@H]2C[C@H](c3ccccc3)C2)CC1 ZINC000328614946 553796892 /nfs/dbraw/zinc/79/68/92/553796892.db2.gz RMQJAZJVSFZMCK-WGSAOQKQSA-N 1 0 370.497 2.087 20 30 FEEDRO CN1C[C@@H](NC(=O)NCC[NH+]2CCC3(CCCCC3)CC2)CCC1=O ZINC000328618649 553797136 /nfs/dbraw/zinc/79/71/36/553797136.db2.gz VHJWIHPZVUVKJX-INIZCTEOSA-N 1 0 350.507 2.157 20 30 FEEDRO CNC(=O)NC1CN(C(=O)NCc2ccccc2C[NH+]2CCC(C)CC2)C1 ZINC000328679467 553806396 /nfs/dbraw/zinc/80/63/96/553806396.db2.gz BQEUUVBMONLHKT-UHFFFAOYSA-N 1 0 373.501 2.150 20 30 FEEDRO Cc1noc(C)c1C[C@H](C)NC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000328689886 553807678 /nfs/dbraw/zinc/80/76/78/553807678.db2.gz DDCYDQIRKZMXPB-YOEHRIQHSA-N 1 0 364.490 2.181 20 30 FEEDRO O=C(N[C@@H](C[NH+]1CCCC1)c1ccccc1)N1CCN(C2CC2)C(=O)C1 ZINC000328726373 553813060 /nfs/dbraw/zinc/81/30/60/553813060.db2.gz UPCDRVMGEBTHCD-SFHVURJKSA-N 1 0 356.470 2.044 20 30 FEEDRO CC[C@@H]1CN(C(=O)N[C@@H]2CCCC23CCOCC3)CC[N@@H+]1C[C@H](C)O ZINC000328822170 553827689 /nfs/dbraw/zinc/82/76/89/553827689.db2.gz RKHPYZBBZTZSLF-GVDBMIGSSA-N 1 0 353.507 2.027 20 30 FEEDRO Cc1cnn(CC(=O)Nc2ccccc2C(=O)N2CCC[N@@H+](C)CC2)c1 ZINC000328825512 553828485 /nfs/dbraw/zinc/82/84/85/553828485.db2.gz HMHRITJRKUHNIF-UHFFFAOYSA-N 1 0 355.442 2.257 20 30 FEEDRO C[NH+]1CCC([C@H]2CCN(C(=O)CNC(=O)c3ccc(F)cc3F)C2)CC1 ZINC000328884969 553838408 /nfs/dbraw/zinc/83/84/08/553838408.db2.gz YXNNLANQQBKKBE-AWEZNQCLSA-N 1 0 365.424 2.460 20 30 FEEDRO C[NH+]1CCC([C@@H]2CCN(C(=O)N[C@H]3CCOC4(CCOCC4)C3)C2)CC1 ZINC000328886337 553838588 /nfs/dbraw/zinc/83/85/88/553838588.db2.gz ZQPDQAZGECMYJR-MSOLQXFVSA-N 1 0 365.518 2.292 20 30 FEEDRO Cc1cccc(C)c1OC[C@H](C)NC(=O)N1CC[C@@H]2OCCN(C)[C@H]2C1 ZINC000328897738 553841062 /nfs/dbraw/zinc/84/10/62/553841062.db2.gz WHIPSAYXPOMWCF-BZSNNMDCSA-N 1 0 361.486 2.390 20 30 FEEDRO O=C(NCC1([NH+]2CCCC2)CCOCC1)N1CCC[C@@H]1[C@H]1CCCO1 ZINC000328901836 553842070 /nfs/dbraw/zinc/84/20/70/553842070.db2.gz ZOWRTLZLWCHADE-IAGOWNOFSA-N 1 0 351.491 2.189 20 30 FEEDRO Cc1nnnn1[C@H](Cc1cccc(F)c1)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000328909081 553843302 /nfs/dbraw/zinc/84/33/02/553843302.db2.gz DLBHRKDERLPAQD-FGTMMUONSA-N 1 0 372.448 2.488 20 30 FEEDRO O=C(CCN1C[C@H](F)C[C@H]1C(=O)N1CCOCC1)Nc1ccccc1F ZINC000328939049 553849123 /nfs/dbraw/zinc/84/91/23/553849123.db2.gz DNUHUAUOINFYKH-CJNGLKHVSA-N 1 0 367.396 2.075 20 30 FEEDRO CN1CCO[C@H]2CCN(C(=O)Nc3csc(-c4ccccn4)n3)C[C@H]21 ZINC000328978024 553857198 /nfs/dbraw/zinc/85/71/98/553857198.db2.gz QOBZCQQJDUWVSW-KGLIPLIRSA-N 1 0 359.455 2.156 20 30 FEEDRO CCC(=O)N1CCCC[C@@H]1C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000329105882 553881682 /nfs/dbraw/zinc/88/16/82/553881682.db2.gz OOKDJWBQOWABKE-MRXNPFEDSA-N 1 0 351.491 2.379 20 30 FEEDRO O=C(N[C@@H]1CCO[C@]2(CCOC2)C1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000329148396 553889579 /nfs/dbraw/zinc/88/95/79/553889579.db2.gz PRZVPVGLVJXYAR-ZHALLVOQSA-N 1 0 351.491 2.189 20 30 FEEDRO CC[C@H](OC1CCCC1)C(=O)NC1CC[NH+]([C@@H]2CCN(C)C2=O)CC1 ZINC000329195289 553899871 /nfs/dbraw/zinc/89/98/71/553899871.db2.gz UCTBERGGKNDTLA-SJORKVTESA-N 1 0 351.491 2.376 20 30 FEEDRO CC(C)[NH+]1CCN(c2cccc(NC(=O)CN3CC(=O)NC3=O)c2)CC1 ZINC000329201952 553901182 /nfs/dbraw/zinc/90/11/82/553901182.db2.gz VTJLDANPTXENPH-UHFFFAOYSA-N 1 0 359.430 2.197 20 30 FEEDRO CC[N@@H+]1C[C@H](C)N(C(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)C[C@H]1C ZINC000329221444 553905397 /nfs/dbraw/zinc/90/53/97/553905397.db2.gz UURRANMYMQSGTD-HLLBOEOZSA-N 1 0 358.461 2.465 20 30 FEEDRO COc1cccc([C@H](CNC(=O)N2CCC[C@H]3C(=O)NC[C@H]32)[NH+](C)C)c1 ZINC000329237757 553908202 /nfs/dbraw/zinc/90/82/02/553908202.db2.gz PESVEYKBPPJDAE-IXDOHACOSA-N 1 0 360.458 2.263 20 30 FEEDRO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CCC[C@@H]1[C@@H]1COCC[C@@H]1O ZINC000329253330 553911629 /nfs/dbraw/zinc/91/16/29/553911629.db2.gz ZBWPJXMLANPWCO-WCIQWLHISA-N 1 0 373.497 2.037 20 30 FEEDRO CC(C)(C)c1cn2c(n1)CC[C@@H]([NH+]=C([O-])N1CC[NH+](CC3CC3)CC1)C2 ZINC000329274048 553914971 /nfs/dbraw/zinc/91/49/71/553914971.db2.gz KFUVFYFUTOUAGR-MRXNPFEDSA-N 1 0 359.518 2.437 20 30 FEEDRO Cc1noc(C)c1C(C)(C)NC(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000329281037 553916560 /nfs/dbraw/zinc/91/65/60/553916560.db2.gz MIUQIXCQOYGOKP-HZPDHXFCSA-N 1 0 364.490 2.408 20 30 FEEDRO CC(C)[C@H]1CN(C(=O)NCC2(N3CCOCC3)CCCCC2)CCO1 ZINC000329293151 553919158 /nfs/dbraw/zinc/91/91/58/553919158.db2.gz RNJXUGSTKTWOGQ-QGZVFWFLSA-N 1 0 353.507 2.292 20 30 FEEDRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)COc1cccc2c1OC(C)(C)C2 ZINC000329313432 553923433 /nfs/dbraw/zinc/92/34/33/553923433.db2.gz QBODLBJYUMNNQS-HNNXBMFYSA-N 1 0 361.486 2.371 20 30 FEEDRO CC[N@@H+]1CCCN(C(=O)C2CCN(C(=O)Nc3ccccc3)CC2)CC1 ZINC000329345897 553929410 /nfs/dbraw/zinc/92/94/10/553929410.db2.gz CTIJUJNVERLGGG-UHFFFAOYSA-N 1 0 358.486 2.498 20 30 FEEDRO CC(C)c1nnc2n1C[C@H]([NH+]=C([O-])N1CCCC13CC[NH+](C)CC3)CC2 ZINC000329351632 553929791 /nfs/dbraw/zinc/92/97/91/553929791.db2.gz UFNFGXDTPSPDGV-OAHLLOKOSA-N 1 0 360.506 2.191 20 30 FEEDRO CC(C)CCNC(=O)[C@@H]1CSCN1C(=O)[C@@H](C)N1CCSCC1 ZINC000329355511 553930606 /nfs/dbraw/zinc/93/06/06/553930606.db2.gz FOHHFKFCYQFVLD-KGLIPLIRSA-N 1 0 359.561 2.328 20 30 FEEDRO Cc1nc([C@@H]2CN(C(=O)N[C@@H]3CC[N@@H+](C)[C@H]3c3ccccc3)CCO2)no1 ZINC000329357342 553931346 /nfs/dbraw/zinc/93/13/46/553931346.db2.gz WPGLQVWNQJJHKD-IKGGRYGDSA-N 1 0 371.441 2.111 20 30 FEEDRO COC1(C)CCN(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000329360424 553932244 /nfs/dbraw/zinc/93/22/44/553932244.db2.gz GVPHXUAMVHHGHD-SJORKVTESA-N 1 0 353.507 2.169 20 30 FEEDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2CCOC[C@@H]2[C@@H]2CCCO2)C1 ZINC000329416207 553942549 /nfs/dbraw/zinc/94/25/49/553942549.db2.gz FQQNLJFDDXLHIE-KURKYZTESA-N 1 0 353.507 2.148 20 30 FEEDRO CC(C)[C@H]([NH2+]CC(=O)N[C@H]1CCCc2ccccc21)C(=O)N1CCOCC1 ZINC000329417036 553942652 /nfs/dbraw/zinc/94/26/52/553942652.db2.gz ZJFSRSXULZFDFQ-ICSRJNTNSA-N 1 0 373.497 2.494 20 30 FEEDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)N[C@@H]2CC(=O)N(C3CCCCC3)C2)C1 ZINC000329436684 553946603 /nfs/dbraw/zinc/94/66/03/553946603.db2.gz LXWVFWSPEVFGSE-JFIYKMOQSA-N 1 0 362.518 2.250 20 30 FEEDRO O=C(N[C@@H](CO)C1CCOCC1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000329450597 553949480 /nfs/dbraw/zinc/94/94/80/553949480.db2.gz LWWIKLWYHZRYAQ-SFHVURJKSA-N 1 0 353.507 2.075 20 30 FEEDRO CN1CC[NH+](CC2CCN(C(=O)Nc3cccc4c3CNC4=O)CC2)CC1 ZINC000329465356 553951675 /nfs/dbraw/zinc/95/16/75/553951675.db2.gz VLNJKONKMDIDRS-UHFFFAOYSA-N 1 0 371.485 2.010 20 30 FEEDRO Cc1cc(=O)c(C(=O)Nc2ccc(N3CC[NH+](C)CC3)nc2)cn1C1CC1 ZINC000329482954 553954943 /nfs/dbraw/zinc/95/49/43/553954943.db2.gz RRMSYPVLCJCEHE-UHFFFAOYSA-N 1 0 367.453 2.275 20 30 FEEDRO Cn1nccc1[C@H]1[C@H](CNC(=O)N2CCC[C@@H]2C(F)F)CCC[N@@H+]1C ZINC000329487825 553956412 /nfs/dbraw/zinc/95/64/12/553956412.db2.gz RQFXFLWKFHFBOJ-NWANDNLSSA-N 1 0 355.433 2.447 20 30 FEEDRO CC(=O)N[C@H](CC(=O)N1CC[C@H](C[NH+]2CCOCC2)C1)c1cccs1 ZINC000329608714 553976181 /nfs/dbraw/zinc/97/61/81/553976181.db2.gz CQSWSWQVTSRZMR-HZPDHXFCSA-N 1 0 365.499 2.336 20 30 FEEDRO COCC1(CNC(=O)N2CC[NH+](C3CCOCC3)CC2)CCCCC1 ZINC000329705565 553992743 /nfs/dbraw/zinc/99/27/43/553992743.db2.gz JLMRJYDTMHKKBD-UHFFFAOYSA-N 1 0 353.507 2.294 20 30 FEEDRO Cc1n[nH]c(C)c1[C@@H]1CCCCCN1C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000329716289 553994347 /nfs/dbraw/zinc/99/43/47/553994347.db2.gz WGDOBQWKYUWHSO-IRXDYDNUSA-N 1 0 362.522 2.103 20 30 FEEDRO C=CCOc1ccc(CN2CCCC[C@@H]2CNS(C)(=O)=O)cc1OC ZINC000507114837 561718127 /nfs/dbraw/zinc/71/81/27/561718127.db2.gz AHKCNCBOSPOIPW-MRXNPFEDSA-N 1 0 368.499 2.164 20 30 FEEDRO O=C(NC1CC[NH+](Cc2ccncc2)CC1)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000329777904 554004097 /nfs/dbraw/zinc/00/40/97/554004097.db2.gz PNFMJYUXGOAAHH-FQEVSTJZSA-N 1 0 371.485 2.402 20 30 FEEDRO C[C@H](C(=O)NC(=O)NC1CCCCC1)[N@@H+]1CC[C@@H](N2CCOCC2)[C@H]1C ZINC000329777556 554004231 /nfs/dbraw/zinc/00/42/31/554004231.db2.gz KOAKLLYCWAUDQY-BFYDXBDKSA-N 1 0 366.506 2.373 20 30 FEEDRO CCc1nc(CN2CCN(C(=O)N[C@@H]3CC[N@H+](C)[C@@H](C)C3)CC2)cs1 ZINC000329797989 554007815 /nfs/dbraw/zinc/00/78/15/554007815.db2.gz GDKZFBOTZYHAJT-LSDHHAIUSA-N 1 0 365.547 2.220 20 30 FEEDRO CC[NH+]1CCC(NC(=O)N2CCN([C@@H](C)c3nccs3)CC2)CC1 ZINC000329801076 554008600 /nfs/dbraw/zinc/00/86/00/554008600.db2.gz JIHPZWZTDJUCHF-AWEZNQCLSA-N 1 0 351.520 2.220 20 30 FEEDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)N[C@@H]1CC(=O)N(C2CCCCC2)C1 ZINC000329801402 554008656 /nfs/dbraw/zinc/00/86/56/554008656.db2.gz YSLFZGMENVZEAH-NVXWUHKLSA-N 1 0 364.534 2.496 20 30 FEEDRO Cc1ccc(C(=O)N2CCN(C(=O)N[C@@H]3CC[N@H+](C)[C@H](C)C3)CC2)cc1 ZINC000329805033 554009252 /nfs/dbraw/zinc/00/92/52/554009252.db2.gz MOALJBZMGKACKG-SJLPKXTDSA-N 1 0 358.486 2.150 20 30 FEEDRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2coc(C3CCOCC3)n2)C1 ZINC000329877557 554023513 /nfs/dbraw/zinc/02/35/13/554023513.db2.gz JLQOQOHRUIBZID-HNNXBMFYSA-N 1 0 351.447 2.230 20 30 FEEDRO CC1CC[NH+]([C@H](CNC(=O)N[C@@H]2CC(=O)N(C)C2)c2cccs2)CC1 ZINC000329918789 554031563 /nfs/dbraw/zinc/03/15/63/554031563.db2.gz GCDVYAMWXVMVPH-HUUCEWRRSA-N 1 0 364.515 2.255 20 30 FEEDRO CC1CC[NH+](Cc2ccc(CNC(=O)N[C@H]3CC(=O)N(C)C3)cc2)CC1 ZINC000329927013 554032880 /nfs/dbraw/zinc/03/28/80/554032880.db2.gz LDZNAHJGERMZOT-SFHVURJKSA-N 1 0 358.486 2.153 20 30 FEEDRO C[C@@H]1OCC[C@@]12CN(C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1)CCO2 ZINC000329966042 554040160 /nfs/dbraw/zinc/04/01/60/554040160.db2.gz VKKGSOAKLYRYAF-JTDSTZFVSA-N 1 0 353.507 2.291 20 30 FEEDRO C[N@@H+]1CCCN(C(=O)c2ccccc2NC(=O)c2ccnc(C#N)c2)CC1 ZINC000329982263 554043349 /nfs/dbraw/zinc/04/33/49/554043349.db2.gz AAOWDZQNEGRRPD-UHFFFAOYSA-N 1 0 363.421 2.367 20 30 FEEDRO CC[NH+]1CCN(c2cccc(NC(=O)N3C[C@@H]4CC[C@H](O)[C@H]4C3)c2)CC1 ZINC000329981910 554043533 /nfs/dbraw/zinc/04/35/33/554043533.db2.gz OEXNBUSYJOWZGX-SNRMKQJTSA-N 1 0 358.486 2.077 20 30 FEEDRO COc1ccccc1[C@H](CNS(=O)(=O)Cc1cccc(C#N)c1)N(C)C ZINC000507386159 561727572 /nfs/dbraw/zinc/72/75/72/561727572.db2.gz UMMMGLDATKPGRH-SFHVURJKSA-N 1 0 373.478 2.289 20 30 FEEDRO Cc1nn(C)c(-n2ccnc2C)c1C(=O)Nc1nc2c(s1)COCC2 ZINC000330005426 554048078 /nfs/dbraw/zinc/04/80/78/554048078.db2.gz BYNJLHCBQAADAB-UHFFFAOYSA-N 1 0 358.427 2.388 20 30 FEEDRO CC(=O)N1CCC[C@H](CNC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)C1 ZINC000330028842 554051795 /nfs/dbraw/zinc/05/17/95/554051795.db2.gz PGSCZFVJZADFNC-KURKYZTESA-N 1 0 350.507 2.106 20 30 FEEDRO CC(=O)N1CCC[C@@H](CNC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)C1 ZINC000330028841 554052120 /nfs/dbraw/zinc/05/21/20/554052120.db2.gz PGSCZFVJZADFNC-KSZLIROESA-N 1 0 350.507 2.106 20 30 FEEDRO CCC[NH+]1CCC(NC(=O)Nc2ccc3c(c2)S(=O)(=O)CC3)CC1 ZINC000330049456 554054912 /nfs/dbraw/zinc/05/49/12/554054912.db2.gz JMLSDQYCLWXCDP-UHFFFAOYSA-N 1 0 351.472 2.217 20 30 FEEDRO CC(C)(CNC(=O)N1CCC(N2CCCNC2=O)CC1)C[NH+]1CCCC1 ZINC000330067888 554058541 /nfs/dbraw/zinc/05/85/41/554058541.db2.gz UWZFJHAEJNOFBO-UHFFFAOYSA-N 1 0 365.522 2.107 20 30 FEEDRO O=C(CN1CC[NH+](C2CCOCC2)CC1)Nc1nc2c(s1)CCCC2 ZINC000330084012 554061576 /nfs/dbraw/zinc/06/15/76/554061576.db2.gz KVQZVWMBDMIYBR-UHFFFAOYSA-N 1 0 364.515 2.407 20 30 FEEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc3c(c2)S(=O)(=O)CC3)C[C@@H]1C ZINC000330116732 554067284 /nfs/dbraw/zinc/06/72/84/554067284.db2.gz VXALPNBSPNCZAD-XJKSGUPXSA-N 1 0 365.499 2.367 20 30 FEEDRO CN1C[C@H](NC(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)CC1=O ZINC000330121272 554068364 /nfs/dbraw/zinc/06/83/64/554068364.db2.gz GUBKLIZBZJRQGO-WIYYLYMNSA-N 1 0 370.497 2.119 20 30 FEEDRO CN1C[C@H](NC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)CC1=O ZINC000330151474 554074789 /nfs/dbraw/zinc/07/47/89/554074789.db2.gz LLCYETMAUFTBHR-IPMKNSEASA-N 1 0 370.497 2.118 20 30 FEEDRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)N[C@@H]2CCCc3c[nH]nc32)CC1 ZINC000330156920 554075685 /nfs/dbraw/zinc/07/56/85/554075685.db2.gz YYUCHGLLKCWLLO-SOLBZPMBSA-N 1 0 374.533 2.192 20 30 FEEDRO COCC1(CNC(=O)N2CCC([NH+]3CCCCC3)CC2)CCOCC1 ZINC000330218042 554087544 /nfs/dbraw/zinc/08/75/44/554087544.db2.gz OHXYCHNCNVLJDH-UHFFFAOYSA-N 1 0 353.507 2.294 20 30 FEEDRO C[C@]1(CNC(=O)N[C@@H]2CCc3ncnn3C2)CCC[N@@H+]1Cc1ccccc1 ZINC000330246450 554092275 /nfs/dbraw/zinc/09/22/75/554092275.db2.gz LGLIVDWMLLVWIJ-YLJYHZDGSA-N 1 0 368.485 2.151 20 30 FEEDRO C[C@H](C(=O)NC1CCCC1)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CC2)CC1 ZINC000330249021 554092695 /nfs/dbraw/zinc/09/26/95/554092695.db2.gz ZQBYBLLKMIQUGA-CRAIPNDOSA-N 1 0 362.518 2.045 20 30 FEEDRO Cc1noc(C)c1C[C@@H](C)NC(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000330272289 554097047 /nfs/dbraw/zinc/09/70/47/554097047.db2.gz XJXXISGKXDXRHZ-ZIAGYGMSSA-N 1 0 364.490 2.322 20 30 FEEDRO CCC[NH+]1CCC(CNC(=O)N2C[C@H](C)O[C@@]3(CCCOC3)C2)CC1 ZINC000330277828 554098421 /nfs/dbraw/zinc/09/84/21/554098421.db2.gz OVOMQNSRQSALOO-LPHOPBHVSA-N 1 0 353.507 2.292 20 30 FEEDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCS(=O)(=O)CC[C@@H]2C)C1 ZINC000330317783 554103901 /nfs/dbraw/zinc/10/39/01/554103901.db2.gz BWMDENTVONOJFP-JKSUJKDBSA-N 1 0 373.563 2.310 20 30 FEEDRO CNS(=O)(=O)c1cccc(C(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC000330375227 554112852 /nfs/dbraw/zinc/11/28/52/554112852.db2.gz COOUXPBDQHWFGJ-AWEZNQCLSA-N 1 0 353.488 2.020 20 30 FEEDRO C[C@H](C#N)CN(C)S(=O)(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000330375334 554112894 /nfs/dbraw/zinc/11/28/94/554112894.db2.gz NROXGVNIBILWTK-SJORKVTESA-N 1 0 370.563 2.299 20 30 FEEDRO CC[N@@H+]1CCC[C@@H](NC(=O)c2cc(C)c(C)c(S(=O)(=O)N(C)C)c2)C1 ZINC000330504597 554130452 /nfs/dbraw/zinc/13/04/52/554130452.db2.gz IABGWGHATKNTAN-MRXNPFEDSA-N 1 0 367.515 2.343 20 30 FEEDRO C[C@H](CC[NH+](C)C)NC(=O)c1ccc2c(c1)C[C@H](C)N2S(C)(=O)=O ZINC000330553852 554137369 /nfs/dbraw/zinc/13/73/69/554137369.db2.gz GCBBBRXYMFFPJV-OLZOCXBDSA-N 1 0 353.488 2.042 20 30 FEEDRO C[C@@H]1[C@H](C)N(C(=O)CNC(=O)c2cccc(Br)c2)CC[N@H+]1C ZINC000330626676 554147752 /nfs/dbraw/zinc/14/77/52/554147752.db2.gz JGBSKMXCKKUOEG-NEPJUHHUSA-N 1 0 368.275 2.305 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N2CCC[C@H](CNC(=O)C(C)C)C2)CC1 ZINC000330663828 554153256 /nfs/dbraw/zinc/15/32/56/554153256.db2.gz XPIYLVGIIQJFGV-MRXNPFEDSA-N 1 0 350.507 2.035 20 30 FEEDRO C[NH+]1CCC(NC(=O)Nc2ccc(S(C)(=O)=O)c(C(F)F)c2)CC1 ZINC000330689148 554157930 /nfs/dbraw/zinc/15/79/30/554157930.db2.gz OZCBBOMDMFHSRK-UHFFFAOYSA-N 1 0 361.414 2.448 20 30 FEEDRO CCCC[NH+]1CCC(NC(=O)N2CCC(NC(=O)C(C)C)CC2)CC1 ZINC000330748338 554166216 /nfs/dbraw/zinc/16/62/16/554166216.db2.gz GXYRVWVMBLMUAF-UHFFFAOYSA-N 1 0 352.523 2.402 20 30 FEEDRO CC[C@@H]1CN(C(=O)C(C)(C)NC(=O)c2ccccc2)CC[N@@H+]1C[C@H](C)O ZINC000330799505 554172970 /nfs/dbraw/zinc/17/29/70/554172970.db2.gz HCVIKRXBLKQIQA-DOTOQJQBSA-N 1 0 361.486 2.073 20 30 FEEDRO CC[C@H](C(=O)N1CCN(C(=O)NC2CCCCC2)CC1)[NH+](CC)CC ZINC000330806772 554173899 /nfs/dbraw/zinc/17/38/99/554173899.db2.gz JDLDXINENNDXGN-QGZVFWFLSA-N 1 0 352.523 2.498 20 30 FEEDRO CC(C)C(=O)NC1CCN(C(=O)NCC2(C[NH+](C)C)CCCC2)CC1 ZINC000330878260 554182318 /nfs/dbraw/zinc/18/23/18/554182318.db2.gz XEYDJSNUYBGXQM-UHFFFAOYSA-N 1 0 352.523 2.259 20 30 FEEDRO COc1cc(NC(=O)NCC2(O)CC[NH+](C)CC2)ccc1OC(C)C ZINC000331015877 554201127 /nfs/dbraw/zinc/20/11/27/554201127.db2.gz XXCLBUMDURNDNW-UHFFFAOYSA-N 1 0 351.447 2.265 20 30 FEEDRO CCC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C)CC[N@@H+]1CCOC ZINC000508592682 561766946 /nfs/dbraw/zinc/76/69/46/561766946.db2.gz OIBOEZJYWDBQKA-SFHVURJKSA-N 1 0 368.485 2.291 20 30 FEEDRO C=CCn1c(-c2ccoc2)nnc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC000508854518 561775544 /nfs/dbraw/zinc/77/55/44/561775544.db2.gz DBYQOHOKZGCQIL-UHFFFAOYSA-N 1 0 357.458 2.273 20 30 FEEDRO CS[C@@H]1CN([C@H](C)C(=O)Nc2cccc(C#N)c2)C[C@@H]1[NH+]1CCCC1 ZINC000331526098 554280347 /nfs/dbraw/zinc/28/03/47/554280347.db2.gz FWSMGJAUKGHDHR-FHLIZLRMSA-N 1 0 358.511 2.397 20 30 FEEDRO C[C@H]1CCCC[N@@H+]1CCC(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 ZINC000332045232 554369349 /nfs/dbraw/zinc/36/93/49/554369349.db2.gz VOPOAMNASZCGHG-ICSRJNTNSA-N 1 0 354.498 2.487 20 30 FEEDRO CC(C)(C)c1csc(NC(=O)C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)c1C#N ZINC000332107020 554381419 /nfs/dbraw/zinc/38/14/19/554381419.db2.gz SAVZPFXPPZRCCS-BXUZGUMPSA-N 1 0 360.483 2.066 20 30 FEEDRO Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N3C[C@@H](C)[N@@H+](C)C[C@H]3C)C2)n1 ZINC000509673218 561810039 /nfs/dbraw/zinc/81/00/39/561810039.db2.gz YJPSJPKOSZPUIK-NUJGCVRESA-N 1 0 355.486 2.029 20 30 FEEDRO CC(C)[NH+]1CCC(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000509724177 561811710 /nfs/dbraw/zinc/81/17/10/561811710.db2.gz JSWRPKGFSUHYIC-IBGZPJMESA-N 1 0 368.481 2.290 20 30 FEEDRO CC(C)[C@H]1CCc2c(sc(NC(=O)C(=O)N3CCC[C@@H]([NH3+])C3)c2C#N)C1 ZINC000332315434 554423324 /nfs/dbraw/zinc/42/33/24/554423324.db2.gz IPAOIYAYETWUDY-QWHCGFSZSA-N 1 0 374.510 2.269 20 30 FEEDRO C=CC[C@H]1N(C(=O)C(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)CCCC1(C)C ZINC000332318364 554423569 /nfs/dbraw/zinc/42/35/69/554423569.db2.gz PWEFQKFYFXGGPP-QZTJIDSGSA-N 1 0 361.530 2.428 20 30 FEEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000510385157 561833214 /nfs/dbraw/zinc/83/32/14/561833214.db2.gz TXOPQQZSHYEEAA-CYBMUJFWSA-N 1 0 369.918 2.326 20 30 FEEDRO CS(=O)(=O)N[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(C#N)cc1OC(F)F ZINC000510776632 561846253 /nfs/dbraw/zinc/84/62/53/561846253.db2.gz HWFFXJVECQBEEP-KGLIPLIRSA-N 1 0 373.425 2.110 20 30 FEEDRO C[C@@H](NC(=O)N1CCCN(c2ccccc2C#N)CC1)[C@H]1CCC[NH2+]C1 ZINC000333644732 554630256 /nfs/dbraw/zinc/63/02/56/554630256.db2.gz IVXPMBSZVWMAEP-AEFFLSMTSA-N 1 0 355.486 2.168 20 30 FEEDRO N#Cc1ccc(N2CCN(C(=O)N[C@H]3CCCC[NH2+]C3)CC2)c(Cl)c1 ZINC000333849439 554649359 /nfs/dbraw/zinc/64/93/59/554649359.db2.gz PSQQUMHPAYNSQP-HNNXBMFYSA-N 1 0 361.877 2.185 20 30 FEEDRO C=CCOC[C@H]1NC(=O)N(C[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)C1=O ZINC000348391855 554683721 /nfs/dbraw/zinc/68/37/21/554683721.db2.gz RBHBICAESHCREQ-YLJYHZDGSA-N 1 0 357.454 2.164 20 30 FEEDRO C=CCOC[C@@H]1NC(=O)N([C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)C1=O ZINC000348582654 554689778 /nfs/dbraw/zinc/68/97/78/554689778.db2.gz FIMBHIGQDCUEJD-BPQIPLTHSA-N 1 0 357.454 2.020 20 30 FEEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCC(=O)N(C)CC ZINC000511117058 561857666 /nfs/dbraw/zinc/85/76/66/561857666.db2.gz UBADNMXEEZDCDI-UHFFFAOYSA-N 1 0 351.520 2.063 20 30 FEEDRO CC(C)(C)n1cc(C#N)cc1NC(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000360280134 554870087 /nfs/dbraw/zinc/87/00/87/554870087.db2.gz QKBAMUGZMRZYDI-HZPDHXFCSA-N 1 0 359.474 2.178 20 30 FEEDRO CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1CC(=O)N(CCC#N)c1ccccc1 ZINC000360403457 554873474 /nfs/dbraw/zinc/87/34/74/554873474.db2.gz YBDJRMREDMXXQN-WOJBJXKFSA-N 1 0 368.481 2.409 20 30 FEEDRO C[C@@H](Oc1ccccc1C#N)C(=O)N1CCC[N@@H+](C2CCOCC2)CC1 ZINC000360955878 554896907 /nfs/dbraw/zinc/89/69/07/554896907.db2.gz BOFQUUKPBFMPOW-MRXNPFEDSA-N 1 0 357.454 2.039 20 30 FEEDRO N#C[C@@H]1CN(C(=O)C2CC[NH+](Cc3ccc(Cl)s3)CC2)CCO1 ZINC000361389217 554920620 /nfs/dbraw/zinc/92/06/20/554920620.db2.gz AZCBGKCAKNBSBE-CYBMUJFWSA-N 1 0 353.875 2.364 20 30 FEEDRO C=CCn1c(SCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)nnc1-c1ccncc1 ZINC000362005396 554943594 /nfs/dbraw/zinc/94/35/94/554943594.db2.gz TTWQULRLJHXEGX-IYBDPMFKSA-N 1 0 357.483 2.481 20 30 FEEDRO N#Cc1ccc(C[NH2+]C2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)o1 ZINC000362907481 554998128 /nfs/dbraw/zinc/99/81/28/554998128.db2.gz UAKRBDMWDWDVLH-IBGZPJMESA-N 1 0 367.405 2.072 20 30 FEEDRO CC[C@](C)(C#N)C(=O)NCc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000511695785 561878350 /nfs/dbraw/zinc/87/83/50/561878350.db2.gz QEZGEAHRMUUDIP-HXUWFJFHSA-N 1 0 356.470 2.068 20 30 FEEDRO C[C@@H](C(=O)Nc1ccccc1C#N)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000363036208 555015401 /nfs/dbraw/zinc/01/54/01/555015401.db2.gz DMECFFXBOGSZFP-KRWDZBQOSA-N 1 0 370.497 2.320 20 30 FEEDRO C[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)n1cnc(C#N)n1 ZINC000511743369 561879482 /nfs/dbraw/zinc/87/94/82/561879482.db2.gz MZIPWABGBKRMJW-RDJZCZTQSA-N 1 0 366.469 2.128 20 30 FEEDRO C[C@@H]1CC(=O)NCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000363150042 555040823 /nfs/dbraw/zinc/04/08/23/555040823.db2.gz KJYWSBKIZQDSKI-CYBMUJFWSA-N 1 0 374.510 2.428 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCO[C@@H]1C1CC1 ZINC000363149922 555040953 /nfs/dbraw/zinc/04/09/53/555040953.db2.gz IBYRLEOOTMQZAF-RTBURBONSA-N 1 0 356.470 2.199 20 30 FEEDRO Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N[C@H]3CCC[C@@H]([NH+](C)C)C3)C2)n1 ZINC000363358390 555085217 /nfs/dbraw/zinc/08/52/17/555085217.db2.gz FDXLMLAQVYTMFR-GBESFXJTSA-N 1 0 369.513 2.467 20 30 FEEDRO Cc1cc([C@@H]2CCCN(CCS(=O)(=O)c3ccc(C#N)cc3)C2)n[nH]1 ZINC000363366866 555087085 /nfs/dbraw/zinc/08/70/85/555087085.db2.gz LMCXJMAWGFRQOV-MRXNPFEDSA-N 1 0 358.467 2.243 20 30 FEEDRO CCC[N@@H+]1CC[C@H](CNC(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)C1 ZINC000363697023 555166388 /nfs/dbraw/zinc/16/63/88/555166388.db2.gz BUPKUQYWZVZFPV-OAHLLOKOSA-N 1 0 370.432 2.736 20 30 FEEDRO C=CCNC(=O)c1ccc(NC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@H]3C2(C)C)cc1 ZINC000364009141 555232819 /nfs/dbraw/zinc/23/28/19/555232819.db2.gz ZUYTYDVQSKXNAM-JXXFODFXSA-N 1 0 357.454 2.073 20 30 FEEDRO CCN(C[C@H](C)C#N)C(=O)CN1CCC[C@H]1c1ccc(CNC(C)=O)o1 ZINC000364079080 555245773 /nfs/dbraw/zinc/24/57/73/555245773.db2.gz JJPPRLULXAFQQI-PBHICJAKSA-N 1 0 360.458 2.061 20 30 FEEDRO C[C@H](Oc1ccc(C#N)cc1)C(=O)N[C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@@H]1C ZINC000364553924 555337186 /nfs/dbraw/zinc/33/71/86/555337186.db2.gz CUVMXHFJWVZTGR-XAMWDVODSA-N 1 0 371.481 2.331 20 30 FEEDRO CN(C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)S(=O)(=O)c1ccccc1C#N ZINC000364557640 555338234 /nfs/dbraw/zinc/33/82/34/555338234.db2.gz BFXSYYJBNRVWCS-HKUYNNGSSA-N 1 0 370.478 2.267 20 30 FEEDRO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCC[C@@H](C(=O)N2CCCCCC2)C1 ZINC000364626672 555356581 /nfs/dbraw/zinc/35/65/81/555356581.db2.gz LFMARGLWGLVIBB-QZTJIDSGSA-N 1 0 362.518 2.109 20 30 FEEDRO CN1CC[NH+](CC2(C)CCN(C(=O)c3ccc(CC#N)cc3)CC2)CC1 ZINC000364642591 555360934 /nfs/dbraw/zinc/36/09/34/555360934.db2.gz JKOOABOZHQCNKP-UHFFFAOYSA-N 1 0 354.498 2.242 20 30 FEEDRO C=CCc1cc(C(=O)N2CCN([C@H]3CCC[C@H]3O)CC2)cc(OC)c1OC ZINC000364742407 555391195 /nfs/dbraw/zinc/39/11/95/555391195.db2.gz KVNJMMIOPILSNE-ZWKOTPCHSA-N 1 0 374.481 2.104 20 30 FEEDRO COCCNC(=O)c1c[nH]nc1[C@@H]1CCC[N@H+](CCCC(C)(C)C#N)C1 ZINC000364786611 555402503 /nfs/dbraw/zinc/40/25/03/555402503.db2.gz FOSNWVAJDFADDD-OAHLLOKOSA-N 1 0 361.490 2.295 20 30 FEEDRO C=CC[C@@]1(C(=O)NC[C@@H]2CC[N@@H+](C)C2)CCCN1C(=O)OC(C)(C)C ZINC000364930538 555441520 /nfs/dbraw/zinc/44/15/20/555441520.db2.gz NUCGEMXKPXZKDD-KXBFYZLASA-N 1 0 351.491 2.400 20 30 FEEDRO C=CCOc1cccc(C[NH2+][C@@H]2CCCN(S(=O)(=O)C3CC3)C2)c1 ZINC000513083003 561924704 /nfs/dbraw/zinc/92/47/04/561924704.db2.gz MIVOLMBUWLEIBT-MRXNPFEDSA-N 1 0 350.484 2.298 20 30 FEEDRO C[N@@H+]1CC[C@H](CNC(=O)N=c2ccn(CCC#N)[nH]2)[C@H]1c1cccs1 ZINC000365645499 555630944 /nfs/dbraw/zinc/63/09/44/555630944.db2.gz CIVLKJOABPGLJI-CJNGLKHVSA-N 1 0 358.471 2.673 20 30 FEEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000513494850 561940762 /nfs/dbraw/zinc/94/07/62/561940762.db2.gz YKLOVSFFNCRNOH-MRXNPFEDSA-N 1 0 370.497 2.165 20 30 FEEDRO Cc1c(C#N)cccc1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000513608543 561944338 /nfs/dbraw/zinc/94/43/38/561944338.db2.gz JKAOWUNEWSYQDW-TZIWHRDSSA-N 1 0 363.461 2.480 20 30 FEEDRO C[NH+](C)C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)cc2)c2ccccc2O1 ZINC000366182073 555774713 /nfs/dbraw/zinc/77/47/13/555774713.db2.gz KJJNYPRBNDXHGK-OAHLLOKOSA-N 1 0 357.435 2.076 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N2CCOC[C@@H]2Cc2c[nH]c3ccccc23)CC1 ZINC000367018524 555998934 /nfs/dbraw/zinc/99/89/34/555998934.db2.gz ZTVXSQKYIKHVEX-IBGZPJMESA-N 1 0 365.477 2.283 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)Nc2nc(CCC(=O)OC)cs2)CC1 ZINC000514644642 561971471 /nfs/dbraw/zinc/97/14/71/561971471.db2.gz NBESFVBLZZWXGY-UHFFFAOYSA-N 1 0 352.460 2.021 20 30 FEEDRO C=CCN1CC[C@@H]([NH+]2CCC3(C[C@@H]3c3nnc4n3CCCCC4)CC2)C1=O ZINC000367181771 556003108 /nfs/dbraw/zinc/00/31/08/556003108.db2.gz SLJAFXCQJHGZSQ-IAGOWNOFSA-N 1 0 369.513 2.361 20 30 FEEDRO N#Cc1ccc(N2CCC([NH2+]Cc3cnc(C4OCCO4)s3)CC2)nc1 ZINC000367369950 556030503 /nfs/dbraw/zinc/03/05/03/556030503.db2.gz JHWLHKDQWDWGAF-UHFFFAOYSA-N 1 0 371.466 2.214 20 30 FEEDRO CC(C)[C@H](CNC(=O)[C@]1(C#N)CCc2ccccc2C1)[NH+]1CCN(C)CC1 ZINC000367571757 556086464 /nfs/dbraw/zinc/08/64/64/556086464.db2.gz XYNIJQDKMXAPOL-RBBKRZOGSA-N 1 0 368.525 2.073 20 30 FEEDRO CN(C)C(=O)N1CCC([NH2+][C@H]2CCCN(c3ccccc3C#N)C2)CC1 ZINC000367624815 556099800 /nfs/dbraw/zinc/09/98/00/556099800.db2.gz XTYWAFSIZZHUJF-SFHVURJKSA-N 1 0 355.486 2.263 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2CCC[C@H]3C[NH2+]CCC[C@@H]32)c(Cl)c1 ZINC000367689675 556115372 /nfs/dbraw/zinc/11/53/72/556115372.db2.gz QCJSFEDYAKBEBT-ZFWWWQNUSA-N 1 0 353.875 2.364 20 30 FEEDRO Cc1nn(C)c(N2CCC[N@H+](C)CC2)c1CNc1nc(C)ccc1C#N ZINC000367714735 556121250 /nfs/dbraw/zinc/12/12/50/556121250.db2.gz DTZFMTSELWRZNC-UHFFFAOYSA-N 1 0 353.474 2.058 20 30 FEEDRO COC(=O)[C@@]12CCC[C@@H]1C[N@H+](Cc1nnc(-c3ccc(C#N)cc3)o1)C2 ZINC000367828675 556149250 /nfs/dbraw/zinc/14/92/50/556149250.db2.gz VPUDBJPFHLPZPK-DNVCBOLYSA-N 1 0 352.394 2.383 20 30 FEEDRO N#Cc1ccc(OCC[NH2+][C@@H]2CCCc3ccc(S(N)(=O)=O)cc32)cc1 ZINC000367986241 556188731 /nfs/dbraw/zinc/18/87/31/556188731.db2.gz ISMPATGTAAFUMZ-LJQANCHMSA-N 1 0 371.462 2.252 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)cc1Cl ZINC000368109482 556221503 /nfs/dbraw/zinc/22/15/03/556221503.db2.gz OIEGYDGAAMFZCU-CQSZACIVSA-N 1 0 353.875 2.222 20 30 FEEDRO N#C[C@@H]1CN(C(=O)N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CCO1 ZINC000368186897 556242679 /nfs/dbraw/zinc/24/26/79/556242679.db2.gz BRPCTPMXLOJUCH-MTQWCTHYSA-N 1 0 368.481 2.221 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)[C@@H]2CCCN2C(=O)Nc2ccccc2)CC1 ZINC000368273688 556265260 /nfs/dbraw/zinc/26/52/60/556265260.db2.gz OCFAULJMJLXRAF-IBGZPJMESA-N 1 0 368.481 2.287 20 30 FEEDRO COc1ccc2c(c1)OCCC[C@@H]2[NH2+]CCNC(=O)C1N=CC=CC1=O ZINC000368329999 556279707 /nfs/dbraw/zinc/27/97/07/556279707.db2.gz FRHULXAYMYLSDV-IJYGLTAASA-N 1 0 357.410 2.025 20 30 FEEDRO CS(=O)(=O)C[C@@H]1CCN(Cc2cc(C#N)ccc2Br)C1 ZINC000368354870 556286204 /nfs/dbraw/zinc/28/62/04/556286204.db2.gz LUZKCQDWMSYTSR-GFCCVEGCSA-N 1 0 357.273 2.187 20 30 FEEDRO CC[NH+]1CCN(Cc2ccc(NC(=O)Cc3ccc(C#N)nc3)cc2)CC1 ZINC000527940731 562308918 /nfs/dbraw/zinc/30/89/18/562308918.db2.gz AJSJIZNCKWJPCB-UHFFFAOYSA-N 1 0 363.465 2.272 20 30 FEEDRO N#Cc1cccc(NC(=O)C(=O)NC2CC[NH+](Cc3cccs3)CC2)c1 ZINC000368795617 556414915 /nfs/dbraw/zinc/41/49/15/556414915.db2.gz RARKOHFIVXKZCB-UHFFFAOYSA-N 1 0 368.462 2.339 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)[C@H]2CCN(c3ccc(C)c(C)c3)C2=O)CC1 ZINC000369040180 556485879 /nfs/dbraw/zinc/48/58/79/556485879.db2.gz CEUVKJQPUQYRJK-LJQANCHMSA-N 1 0 355.482 2.423 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1nnnn1-c1ccccc1Br ZINC000515774969 562021632 /nfs/dbraw/zinc/02/16/32/562021632.db2.gz JTPPIWGFYGCTMX-OCCSQVGLSA-N 1 0 364.247 2.248 20 30 FEEDRO N#Cc1cc([N+](=O)[O-])cnc1NC[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000369178337 556526771 /nfs/dbraw/zinc/52/67/71/556526771.db2.gz ZXWFHYWNMCRDLF-HNNXBMFYSA-N 1 0 352.398 2.581 20 30 FEEDRO [NH3+]C[C@H]1CCCN(C(=O)C(=O)Nc2ccccc2C#Cc2ccccc2)C1 ZINC000516018224 562028317 /nfs/dbraw/zinc/02/83/17/562028317.db2.gz CVBJEZVOCHQALM-GOSISDBHSA-N 1 0 361.445 2.222 20 30 FEEDRO Cc1nc(CN2CCC[C@@H]([NH2+]Cc3ccc(O[C@H](C)C#N)cc3)C2)no1 ZINC000369269866 556557584 /nfs/dbraw/zinc/55/75/84/556557584.db2.gz XCBWMLMUWBKAAX-RHSMWYFYSA-N 1 0 355.442 2.423 20 30 FEEDRO Cn1cc([C@H]2[C@H](CNC(=O)Nc3ccc(C#N)cc3)CCC[N@@H+]2C)cn1 ZINC000369421569 556596855 /nfs/dbraw/zinc/59/68/55/556596855.db2.gz ORHJPKDQRDXZDC-MAUKXSAKSA-N 1 0 352.442 2.496 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N[C@H]2CCCN(c3ccc(F)cc3C)C2=O)CC1 ZINC000369424132 556597418 /nfs/dbraw/zinc/59/74/18/556597418.db2.gz IAMNKRFXFBJFFA-SFHVURJKSA-N 1 0 371.456 2.091 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)CCc2nc(-c3ccc(F)cc3)no2)CC1 ZINC000369590287 556640698 /nfs/dbraw/zinc/64/06/98/556640698.db2.gz DKDOKJOKWCAPAW-UHFFFAOYSA-N 1 0 370.428 2.412 20 30 FEEDRO CN1CCC(CNC(=O)COc2ccc(C#N)cc2)([NH+]2CCCCC2)CC1 ZINC000369650453 556658452 /nfs/dbraw/zinc/65/84/52/556658452.db2.gz VGVDPFWRFITSFW-UHFFFAOYSA-N 1 0 370.497 2.004 20 30 FEEDRO C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1NC(=O)NCc1cc(C#N)ccc1F ZINC000369865281 556716886 /nfs/dbraw/zinc/71/68/86/556716886.db2.gz YCFLLQRKOWMSBZ-BJZITVGISA-N 1 0 374.460 2.386 20 30 FEEDRO C[C@H]1CC[N@H+](Cc2ccccc2)CCN1CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000370009015 556756169 /nfs/dbraw/zinc/75/61/69/556756169.db2.gz JMMBKPDNRJWWNK-UWJYYQICSA-N 1 0 354.498 2.391 20 30 FEEDRO C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1CC(=O)N[C@](C)(C#N)C1CC1 ZINC000370009012 556756335 /nfs/dbraw/zinc/75/63/35/556756335.db2.gz JMMBKPDNRJWWNK-DYESRHJHSA-N 1 0 354.498 2.391 20 30 FEEDRO Cc1ccc(C(=O)N2CCC(N3CC[NH+](C(C)C)CC3)CC2)cc1C#N ZINC000370159334 556797451 /nfs/dbraw/zinc/79/74/51/556797451.db2.gz ICCJAIHVKQMXAX-UHFFFAOYSA-N 1 0 354.498 2.497 20 30 FEEDRO CN(C)C(=O)c1ccc(C[NH2+][C@@H]2CCCN(c3ccccc3C#N)C2)[nH]1 ZINC000370255651 556822861 /nfs/dbraw/zinc/82/28/61/556822861.db2.gz HLCBIIFCRSHXKJ-QGZVFWFLSA-N 1 0 351.454 2.347 20 30 FEEDRO C=CCNC(=O)CN1CC[NH+](CCn2ccc3cc(Cl)ccc32)CC1 ZINC000516688221 562054506 /nfs/dbraw/zinc/05/45/06/562054506.db2.gz WASWQGCWOIAJAD-UHFFFAOYSA-N 1 0 360.889 2.215 20 30 FEEDRO N#Cc1ccc(CSCC(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000370487926 556887795 /nfs/dbraw/zinc/88/77/95/556887795.db2.gz QFEOESKWWJVPOC-SFHVURJKSA-N 1 0 359.495 2.161 20 30 FEEDRO N#CCc1ccc(CNC(=O)NCC2([NH+]3CCCC3)CCOCC2)cc1 ZINC000516923648 562065262 /nfs/dbraw/zinc/06/52/62/562065262.db2.gz KINKYLCMZJNUHK-UHFFFAOYSA-N 1 0 356.470 2.197 20 30 FEEDRO C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCC([N@@H+]2CCOC[C@H]2C)CC1 ZINC000517214122 562079694 /nfs/dbraw/zinc/07/96/94/562079694.db2.gz ZFFCYBABMWKHNW-CVEARBPZSA-N 1 0 356.470 2.070 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N[C@H]2CCCC[C@@H]2C[NH3+])cc1Br ZINC000517370394 562087291 /nfs/dbraw/zinc/08/72/91/562087291.db2.gz XQEVWBMDVQQSGE-RISCZKNCSA-N 1 0 372.288 2.117 20 30 FEEDRO C=CCOc1ccc(C[NH+]2CCC([C@@]3(C)NC(=O)NC3=O)CC2)cc1OC ZINC000371328198 557147936 /nfs/dbraw/zinc/14/79/36/557147936.db2.gz SUASWHCOYSZFPT-HXUWFJFHSA-N 1 0 373.453 2.070 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2CCC(CC[NH3+])CC2)cc1C(F)(F)F ZINC000517381751 562087911 /nfs/dbraw/zinc/08/79/11/562087911.db2.gz NVMLSJGKMPYCKW-UHFFFAOYSA-N 1 0 361.389 2.327 20 30 FEEDRO CN(CCC#N)C(=O)CC[NH+]1CCC(C(=O)N(C)c2ccccc2)CC1 ZINC000371444584 557189524 /nfs/dbraw/zinc/18/95/24/557189524.db2.gz ZLBBPOREHCEFHS-UHFFFAOYSA-N 1 0 356.470 2.124 20 30 FEEDRO CCc1nn(C)c(CC)c1CN1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000371469016 557189777 /nfs/dbraw/zinc/18/97/77/557189777.db2.gz CMZZRZGQWWVZOC-QKKBWIMNSA-N 1 0 363.465 2.390 20 30 FEEDRO C#CCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[C@@]23NC(=O)N(C)C3=O)cc1 ZINC000371479800 557194281 /nfs/dbraw/zinc/19/42/81/557194281.db2.gz JTHQCWSNAIQTJN-DKICVRJWSA-N 1 0 355.438 2.070 20 30 FEEDRO CO[C@@H]1COC[C@@H]1[NH2+]CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 ZINC000517707714 562095795 /nfs/dbraw/zinc/09/57/95/562095795.db2.gz FWGGOMUXXWWCKB-TUKIKUTGSA-N 1 0 363.483 2.077 20 30 FEEDRO C#Cc1cccc(NC(=O)N(C)C2CC[NH+](CC(=O)N3CCCC3)CC2)c1 ZINC000371584996 557229863 /nfs/dbraw/zinc/22/98/63/557229863.db2.gz FQFWKOTYZAVVMJ-UHFFFAOYSA-N 1 0 368.481 2.218 20 30 FEEDRO COC1CC[NH+](C(C)(C)CNC(=O)[C@@H](C)Oc2ccc(C#N)cc2)CC1 ZINC000518080094 562104092 /nfs/dbraw/zinc/10/40/92/562104092.db2.gz AEEKTHNVNTWOLJ-OAHLLOKOSA-N 1 0 359.470 2.331 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2C[C@H]3[C@H](C2)C[N@@H+]2CCCC[C@@H]32)c(Cl)c1 ZINC000371632614 557245930 /nfs/dbraw/zinc/24/59/30/557245930.db2.gz IYCMUEUVHRZJCT-DZKIICNBSA-N 1 0 365.886 2.316 20 30 FEEDRO Cc1cc(C)cc(N2CC[C@@H](C(=O)N(CCC#N)CCC[NH+](C)C)C2=O)c1 ZINC000517863095 562099395 /nfs/dbraw/zinc/09/93/95/562099395.db2.gz FEKFVLFRRYUBHF-IBGZPJMESA-N 1 0 370.497 2.350 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)NCCCN(C(=O)C2CCC2)C2CC2)CC1 ZINC000518252794 562107290 /nfs/dbraw/zinc/10/72/90/562107290.db2.gz FXEGPWYYPKWGSD-UHFFFAOYSA-N 1 0 362.518 2.117 20 30 FEEDRO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCCN(c3cncc(F)c3)CC2)cc1 ZINC000371985699 557347200 /nfs/dbraw/zinc/34/72/00/557347200.db2.gz VFIZJZHKVUKPMZ-LJQANCHMSA-N 1 0 370.428 2.044 20 30 FEEDRO N#CCCSc1ccccc1NC(=O)C(=O)N1CCC(CC[NH3+])CC1 ZINC000518782892 562118343 /nfs/dbraw/zinc/11/83/43/562118343.db2.gz QBWWUUCESAGWHD-UHFFFAOYSA-N 1 0 360.483 2.218 20 30 FEEDRO N#Cc1ccc(N2CCC[C@H]([NH+]3CCC(O[C@H]4CCOC4)CC3)C2=O)cc1 ZINC000518812878 562119163 /nfs/dbraw/zinc/11/91/63/562119163.db2.gz VHYPCJWAIJPPAZ-PMACEKPBSA-N 1 0 369.465 2.324 20 30 FEEDRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]CC(=O)Nc3sc(C)c(C)c3C#N)[C@@H]2C1 ZINC000518828280 562119499 /nfs/dbraw/zinc/11/94/99/562119499.db2.gz FUVHKCNYTNRPMY-UAGQMJEPSA-N 1 0 374.510 2.412 20 30 FEEDRO C=CC1CCN(C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000518979164 562122477 /nfs/dbraw/zinc/12/24/77/562122477.db2.gz YTTDQTJMOMFZGR-UHFFFAOYSA-N 1 0 356.514 2.412 20 30 FEEDRO N#Cc1ccc2ncc(C[NH2+]C[C@H]3CC[C@@H](c4nc(C5CC5)no4)O3)n2c1 ZINC000372397456 557460226 /nfs/dbraw/zinc/46/02/26/557460226.db2.gz UPNRSPHVDCLPST-CVEARBPZSA-N 1 0 364.409 2.476 20 30 FEEDRO C=CCN(C(=O)[C@@H]1CCN(C)C(=O)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000372597804 557515952 /nfs/dbraw/zinc/51/59/52/557515952.db2.gz BZSYVBXTUGMSPD-MOPGFXCFSA-N 1 0 355.482 2.144 20 30 FEEDRO CC(C)(C)c1csc(NC(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)c1C#N ZINC000519528312 562133558 /nfs/dbraw/zinc/13/35/58/562133558.db2.gz HPVQSTHJNBOQDD-SFHVURJKSA-N 1 0 360.483 2.068 20 30 FEEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1N(C)CC(=O)NC1(C#N)CCC1 ZINC000372611013 557520763 /nfs/dbraw/zinc/52/07/63/557520763.db2.gz ONDULZIAZAEOOF-MJGOQNOKSA-N 1 0 354.498 2.391 20 30 FEEDRO CC(C)NC(=O)c1cnn2c1C[C@H](C[NH2+]Cc1ccc(C#N)s1)CC2 ZINC000372615880 557521789 /nfs/dbraw/zinc/52/17/89/557521789.db2.gz CTVZKGQTQCQMQL-CYBMUJFWSA-N 1 0 357.483 2.307 20 30 FEEDRO C=CCCCN(C)C(=O)C(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000519566270 562135007 /nfs/dbraw/zinc/13/50/07/562135007.db2.gz WABPDDHYHQLSRW-INIZCTEOSA-N 1 0 351.878 2.484 20 30 FEEDRO Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)NC[C@H](C)C[NH+]3CCCC3)C2)n1 ZINC000372673720 557534265 /nfs/dbraw/zinc/53/42/65/557534265.db2.gz IOYQEQNJSKXZHA-QFBILLFUSA-N 1 0 369.513 2.326 20 30 FEEDRO N#Cc1ccc(CN2CCCN(C(=O)NOCC(F)(F)F)CC2)cc1 ZINC000372781243 557561359 /nfs/dbraw/zinc/56/13/59/557561359.db2.gz MRFXTJMRQBLELW-UHFFFAOYSA-N 1 0 356.348 2.269 20 30 FEEDRO COc1cccc(N2C[C@@H]([NH2+]Cc3cnc4ccc(C#N)cn34)CC2=O)c1 ZINC000373185446 557646322 /nfs/dbraw/zinc/64/63/22/557646322.db2.gz ISUGQHKPYGRSQY-HNNXBMFYSA-N 1 0 361.405 2.110 20 30 FEEDRO COc1cccc(N2C[C@H]([NH2+]Cc3cnc4ccc(C#N)cn34)CC2=O)c1 ZINC000373185447 557646473 /nfs/dbraw/zinc/64/64/73/557646473.db2.gz ISUGQHKPYGRSQY-OAHLLOKOSA-N 1 0 361.405 2.110 20 30 FEEDRO CCC[NH+]1CCC(N2CCN(c3ccc([N+](=O)[O-])c(C#N)c3)CC2)CC1 ZINC000373335823 557674646 /nfs/dbraw/zinc/67/46/46/557674646.db2.gz VCJCUUKAKVTURQ-UHFFFAOYSA-N 1 0 357.458 2.463 20 30 FEEDRO Cn1cncc1CCC(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000373514825 557709229 /nfs/dbraw/zinc/70/92/29/557709229.db2.gz KNMFMQWXUFFRCC-UHFFFAOYSA-N 1 0 351.454 2.027 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N2C[C@@H](c3ccccc3)[C@H](C(=O)OC)C2)CC1 ZINC000373949298 557794356 /nfs/dbraw/zinc/79/43/56/557794356.db2.gz GOLFHVBUIJGQBK-RBUKOAKNSA-N 1 0 371.481 2.235 20 30 FEEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(OC2CCC(C)CC2)CC1 ZINC000373950525 557794854 /nfs/dbraw/zinc/79/48/54/557794854.db2.gz QBHQDUUGUVZBQE-PCKAHOCUSA-N 1 0 351.491 2.446 20 30 FEEDRO N#Cc1cccc(-n2ccc(C(=O)N3C[C@@H]4C[N@@H+]5CCCC[C@@H]5[C@H]4C3)n2)c1 ZINC000373960173 557796778 /nfs/dbraw/zinc/79/67/78/557796778.db2.gz YUHGGMTUHDFTFH-XKGZKEIXSA-N 1 0 361.449 2.300 20 30 FEEDRO C=CCN1CC[C@@H]([N@@H+](C)C2CCN(c3ncnc4ccccc43)CC2)C1=O ZINC000374111158 557825081 /nfs/dbraw/zinc/82/50/81/557825081.db2.gz ZXVSJNOZOSOQDB-LJQANCHMSA-N 1 0 365.481 2.317 20 30 FEEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)NC[C@H](C)[NH+]1CCCC1 ZINC000520844441 562165044 /nfs/dbraw/zinc/16/50/44/562165044.db2.gz XGASRJASRNDGDJ-CABCVRRESA-N 1 0 374.510 2.477 20 30 FEEDRO CN(C(=O)NCCc1cccc(C#N)c1)C1CC[NH+](C2CCOCC2)CC1 ZINC000374195831 557842118 /nfs/dbraw/zinc/84/21/18/557842118.db2.gz VUWGYEWLZIXFGX-UHFFFAOYSA-N 1 0 370.497 2.386 20 30 FEEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCCC12CC[NH+](C)CC2 ZINC000374318165 557864458 /nfs/dbraw/zinc/86/44/58/557864458.db2.gz PNKIRJVPPMOGDI-UHFFFAOYSA-N 1 0 356.470 2.295 20 30 FEEDRO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCC[C@@H](CNC(=O)c2ccco2)C1 ZINC000374553098 557899122 /nfs/dbraw/zinc/89/91/22/557899122.db2.gz VULMZVFPRLVEKH-IRXDYDNUSA-N 1 0 359.470 2.311 20 30 FEEDRO C[C@H](NC(=O)N[C@H]1CCCN(c2ccccc2C#N)C1)C1=CC[N@H+](C)CC1 ZINC000374752071 557925605 /nfs/dbraw/zinc/92/56/05/557925605.db2.gz QXMUQFAGBXFNRX-LPHOPBHVSA-N 1 0 367.497 2.477 20 30 FEEDRO C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000521348784 562174643 /nfs/dbraw/zinc/17/46/43/562174643.db2.gz RYTLWWNQBSDOQO-JKSUJKDBSA-N 1 0 359.449 2.060 20 30 FEEDRO C#Cc1cc(F)c(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)c(F)c1 ZINC000375004039 557962844 /nfs/dbraw/zinc/96/28/44/557962844.db2.gz XDTFZYKZFYADDP-CYBMUJFWSA-N 1 0 361.392 2.018 20 30 FEEDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)CCCC(=O)Nc3ccccc3C#N)C[C@@H]21 ZINC000375018187 557964991 /nfs/dbraw/zinc/96/49/91/557964991.db2.gz IULDCJLKDGWDPJ-QAPCUYQASA-N 1 0 354.454 2.220 20 30 FEEDRO CC(C)[NH+]1CCN([C@H]2CCN(C(=O)CSc3ccc(C#N)cc3)C2)CC1 ZINC000375872955 558091927 /nfs/dbraw/zinc/09/19/27/558091927.db2.gz GPVQFDMEYRRGAT-SFHVURJKSA-N 1 0 372.538 2.277 20 30 FEEDRO CN1CC[NH2+]C[C@H]1CNC(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 ZINC000521581906 562179298 /nfs/dbraw/zinc/17/92/98/562179298.db2.gz DDDKSNKPAWCUOR-KRWDZBQOSA-N 1 0 365.437 2.376 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2cc(OC)c(O)c(OC)c2)CC1 ZINC000521603257 562179966 /nfs/dbraw/zinc/17/99/66/562179966.db2.gz BENWWJRAJKSZRO-UHFFFAOYSA-N 1 0 363.458 2.249 20 30 FEEDRO CCC[N@H+](C)CC(=O)N1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000521649156 562181145 /nfs/dbraw/zinc/18/11/45/562181145.db2.gz BRUGCCCETKWZLD-UHFFFAOYSA-N 1 0 351.454 2.097 20 30 FEEDRO C=CCn1c(SCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)nnc1-c1ccccn1 ZINC000376258274 558148934 /nfs/dbraw/zinc/14/89/34/558148934.db2.gz PFSCSQZZJANVIM-GASCZTMLSA-N 1 0 357.483 2.481 20 30 FEEDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000376348875 558161560 /nfs/dbraw/zinc/16/15/60/558161560.db2.gz HNUMEZRHROOZSZ-MLGOLLRUSA-N 1 0 353.875 2.459 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCNC(=O)[C@@H]2c2ccccc2F)CC1 ZINC000376357716 558162559 /nfs/dbraw/zinc/16/25/59/558162559.db2.gz YXNCAPBWURZYGD-SFHVURJKSA-N 1 0 374.460 2.049 20 30 FEEDRO CN1CCC([NH+]2CCC(NC(=O)NCC3CCC(C#N)CC3)CC2)CC1 ZINC000376387833 558166681 /nfs/dbraw/zinc/16/66/81/558166681.db2.gz RMJNNMPZRMTQRT-UHFFFAOYSA-N 1 0 361.534 2.174 20 30 FEEDRO CC(C)(C)OC(=O)N1CCN2C(NC[C@@H]3CCCSC3)=[NH+]C[C@H]2C1 ZINC000376598048 558195776 /nfs/dbraw/zinc/19/57/76/558195776.db2.gz QFYIFWNHIFADPK-KBPBESRZSA-N 1 0 354.520 2.010 20 30 FEEDRO C=CCCO[C@@H](C)C(=O)N(Cc1nccn1CC)[C@@H]1CC12CC[NH2+]CC2 ZINC000376681210 558207325 /nfs/dbraw/zinc/20/73/25/558207325.db2.gz QHWVDKZJWXAGRH-DLBZAZTESA-N 1 0 360.502 2.355 20 30 FEEDRO COCCNC(=O)c1c[nH]nc1[C@@H]1CCCN(Cc2ccc(C#N)s2)C1 ZINC000376685947 558208517 /nfs/dbraw/zinc/20/85/17/558208517.db2.gz CBKYRSQOLCAFEJ-CYBMUJFWSA-N 1 0 373.482 2.099 20 30 FEEDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N2CCN(C3CC3)[C@H](C#N)C2)C1 ZINC000377668068 558391462 /nfs/dbraw/zinc/39/14/62/558391462.db2.gz JSNZHQKQMLIHSO-ZIFCJYIRSA-N 1 0 361.534 2.126 20 30 FEEDRO C[C@H](C(=O)N(C)CCC#N)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000377717124 558404298 /nfs/dbraw/zinc/40/42/98/558404298.db2.gz DLAOYMCBJBCOMD-HOJAQTOUSA-N 1 0 354.498 2.201 20 30 FEEDRO C#CC[C@@]1(C(=O)NCC2CC[NH+](C)CC2)CCCN1C(=O)OC(C)(C)C ZINC000377716503 558404548 /nfs/dbraw/zinc/40/45/48/558404548.db2.gz MKLVXRRAAJBJAC-FQEVSTJZSA-N 1 0 363.502 2.237 20 30 FEEDRO N#CCCCCS(=O)(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000377770843 558416721 /nfs/dbraw/zinc/41/67/21/558416721.db2.gz QWQQALBUDWGGAF-MOPGFXCFSA-N 1 0 361.511 2.464 20 30 FEEDRO N#Cc1ccc(Cn2cnc(NC(=O)[C@@H]3C[C@H]4CCCC[N@@H+]4C3)n2)cc1 ZINC000378008443 558462268 /nfs/dbraw/zinc/46/22/68/558462268.db2.gz IPQCBDXQCYCRLK-IAGOWNOFSA-N 1 0 350.426 2.011 20 30 FEEDRO COc1ccc(C[NH2+][C@H]2CCCS(=O)(=O)C2)cc1OCCCC#N ZINC000522891856 562205530 /nfs/dbraw/zinc/20/55/30/562205530.db2.gz AWTOXRYNANYEIJ-HNNXBMFYSA-N 1 0 352.456 2.045 20 30 FEEDRO N#Cc1ccc(C[NH2+]C[C@@H]2CCCN(c3nccn4cnnc34)C2)s1 ZINC000378194508 558500300 /nfs/dbraw/zinc/50/03/00/558500300.db2.gz ZQMCFSRVAPZKMC-ZDUSSCGKSA-N 1 0 353.455 2.064 20 30 FEEDRO N#Cc1ccc2ncc(C[NH2+][C@@H]3CC(=O)N([C@@H]4C[C@@H]4c4ccccc4)C3)n2c1 ZINC000378405156 558548947 /nfs/dbraw/zinc/54/89/47/558548947.db2.gz QOLSUHBGNIEPDS-MISYRCLQSA-N 1 0 371.444 2.453 20 30 FEEDRO C[C@@H]1C[C@H]1N1C[C@H]([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CC1=O ZINC000378449910 558560204 /nfs/dbraw/zinc/56/02/04/558560204.db2.gz HDSRKEPNSSMZAL-CDHQVMDDSA-N 1 0 352.482 2.122 20 30 FEEDRO N#Cc1ccc(N2CC[C@H](N3CC[C@](O)(c4ccc(F)cc4)C3)C2=O)cc1 ZINC000378514610 558572924 /nfs/dbraw/zinc/57/29/24/558572924.db2.gz FZVSPBCWDQCMEP-PZJWPPBQSA-N 1 0 365.408 2.396 20 30 FEEDRO Cc1ncc(S(=O)(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)cc1C#N ZINC000389949558 558609635 /nfs/dbraw/zinc/60/96/35/558609635.db2.gz RSAUWFRXNQWRSH-AUUYWEPGSA-N 1 0 370.478 2.061 20 30 FEEDRO N#Cc1cc([N+](=O)[O-])cnc1NCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397628471 558625046 /nfs/dbraw/zinc/62/50/46/558625046.db2.gz MBSBJJLDRPIUPH-UHFFFAOYSA-N 1 0 367.409 2.300 20 30 FEEDRO C[C@H](C(=O)NC[C@H](c1ccccc1)[NH+]1CCC(C)CC1)n1cnc(C#N)n1 ZINC000409491557 558696840 /nfs/dbraw/zinc/69/68/40/558696840.db2.gz AEWDJPMCAJUERV-SJLPKXTDSA-N 1 0 366.469 2.300 20 30 FEEDRO CC[NH+](CC)CCCC1CCN(S(=O)(=O)N(C)C[C@H](C)C#N)CC1 ZINC000409511903 558699430 /nfs/dbraw/zinc/69/94/30/558699430.db2.gz XHWUSHOYJRXSPF-MRXNPFEDSA-N 1 0 358.552 2.157 20 30 FEEDRO CCN(CCC#N)S(=O)(=O)NC[C@H](Cc1ccccc1)[NH+](CC)CC ZINC000409562256 558703325 /nfs/dbraw/zinc/70/33/25/558703325.db2.gz PKOUXEZEZWXVQC-SFHVURJKSA-N 1 0 366.531 2.009 20 30 FEEDRO C=CCN1CC[C@@H](N(C)C(=O)[C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)C1=O ZINC000410108737 558739047 /nfs/dbraw/zinc/73/90/47/558739047.db2.gz XTWMWPMMKBYYLR-PKOBYXMFSA-N 1 0 373.472 2.283 20 30 FEEDRO CCN(CCC#N)S(=O)(=O)N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000410152710 558742697 /nfs/dbraw/zinc/74/26/97/558742697.db2.gz YZNGOXWXDCRJOA-SFHVURJKSA-N 1 0 364.515 2.063 20 30 FEEDRO CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000410161735 558743411 /nfs/dbraw/zinc/74/34/11/558743411.db2.gz LYVGCVCSRQOCBA-AEFFLSMTSA-N 1 0 370.563 2.347 20 30 FEEDRO C=C(C)CN(C)C(=O)C(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000410452626 558760830 /nfs/dbraw/zinc/76/08/30/558760830.db2.gz WMXPGMVJPBUAPE-UHFFFAOYSA-N 1 0 357.498 2.188 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)c(F)c1 ZINC000525697088 562252486 /nfs/dbraw/zinc/25/24/86/562252486.db2.gz KCFGSYMOVVRWMR-OAHLLOKOSA-N 1 0 351.447 2.194 20 30 FEEDRO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@H+](CCC2(C#N)CCCCC2)C1 ZINC000411623361 558931186 /nfs/dbraw/zinc/93/11/86/558931186.db2.gz HRFXGCKICXCDOG-QGZVFWFLSA-N 1 0 371.547 2.223 20 30 FEEDRO C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CCCc3c(cnn3C)C2)c(OC)c1 ZINC000411852208 558976056 /nfs/dbraw/zinc/97/60/56/558976056.db2.gz YPEDYLRAJACJOG-SFHVURJKSA-N 1 0 371.481 2.345 20 30 FEEDRO CC(C)(COc1ncccc1C(F)(F)F)[NH2+]CC(=O)NC1(C#N)CCC1 ZINC000525886513 562258681 /nfs/dbraw/zinc/25/86/81/562258681.db2.gz JOZASLOPXHOLDM-UHFFFAOYSA-N 1 0 370.375 2.410 20 30 FEEDRO CC(C)(C)O[C@@H]1C[C@H]([NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)C1(C)C ZINC000412081212 559011192 /nfs/dbraw/zinc/01/11/92/559011192.db2.gz RMGRAKQPQSJNMV-LSDHHAIUSA-N 1 0 365.499 2.299 20 30 FEEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SC[C@@H]1CCCNC1=O ZINC000412993254 559069271 /nfs/dbraw/zinc/06/92/71/559069271.db2.gz XICVDCNIUCURKD-HNNXBMFYSA-N 1 0 363.531 2.111 20 30 FEEDRO C=CCCCNC(=O)NCc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000413505524 559112727 /nfs/dbraw/zinc/11/27/27/559112727.db2.gz RAVOMVLDPPUDAK-UHFFFAOYSA-N 1 0 358.486 2.149 20 30 FEEDRO CSc1nc(C2CC2)cc(C(=O)N[C@H](CO)C[NH+]2CCCCC2)c1C#N ZINC000413804626 559131616 /nfs/dbraw/zinc/13/16/16/559131616.db2.gz LJYBHKVPQYCPRE-AWEZNQCLSA-N 1 0 374.510 2.129 20 30 FEEDRO N#Cc1ccc(Oc2cccc(NC(=O)C(=O)N3CC[C@H](C[NH3+])C3)c2)cc1 ZINC000415367505 559228025 /nfs/dbraw/zinc/22/80/25/559228025.db2.gz YMLQSHPFWKFDOF-OAHLLOKOSA-N 1 0 364.405 2.096 20 30 FEEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000415394746 559230986 /nfs/dbraw/zinc/23/09/86/559230986.db2.gz LXHMQGGGSWGEMT-KGLIPLIRSA-N 1 0 374.510 2.463 20 30 FEEDRO CC(C)Oc1ccc(NC(=O)C(=O)NC[C@@H]([NH3+])c2ccccc2)cc1C#N ZINC000415399021 559231398 /nfs/dbraw/zinc/23/13/98/559231398.db2.gz XTSBWROSXQOWEV-QGZVFWFLSA-N 1 0 366.421 2.100 20 30 FEEDRO C[C@H]1CN(C(=O)C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)CC[NH2+]1 ZINC000415421885 559234134 /nfs/dbraw/zinc/23/41/34/559234134.db2.gz YROJOWHJATWAAX-AWEZNQCLSA-N 1 0 364.405 2.109 20 30 FEEDRO CC1(C)[NH2+]CC[C@@H]1NC(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 ZINC000415436635 559236729 /nfs/dbraw/zinc/23/67/29/559236729.db2.gz BPOZBWZBIILRHK-AWEZNQCLSA-N 1 0 358.833 2.659 20 30 FEEDRO C[C@@H]1CCCN(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)[C@H]1C[NH3+] ZINC000415438969 559237089 /nfs/dbraw/zinc/23/70/89/559237089.db2.gz CPZXAJAJKXVVKX-WBMJQRKESA-N 1 0 372.860 2.988 20 30 FEEDRO N#Cc1ccc(-n2ccc(NC(=O)N[C@H](C[NH3+])C3CCCCC3)n2)c(F)c1 ZINC000415444916 559237783 /nfs/dbraw/zinc/23/77/83/559237783.db2.gz RVOQZWIBQZEEAT-MRXNPFEDSA-N 1 0 370.432 2.912 20 30 FEEDRO CC1(C)C[NH2+]CC[C@@H]1NC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 ZINC000415448417 559238243 /nfs/dbraw/zinc/23/82/43/559238243.db2.gz ICPLMFJOMXBDMD-HNNXBMFYSA-N 1 0 372.860 2.907 20 30 FEEDRO N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)n1 ZINC000415460536 559239584 /nfs/dbraw/zinc/23/95/84/559239584.db2.gz NKAXVLMBDPWKJB-DOMZBBRYSA-N 1 0 372.860 3.036 20 30 FEEDRO N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)N2CCC(C[NH3+])CC2)n1 ZINC000415464917 559239986 /nfs/dbraw/zinc/23/99/86/559239986.db2.gz RVGRXCXNLIAGRX-UHFFFAOYSA-N 1 0 358.833 2.600 20 30 FEEDRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 ZINC000415467135 559240373 /nfs/dbraw/zinc/24/03/73/559240373.db2.gz VDTAWDWFNANNJO-AAEUAGOBSA-N 1 0 358.833 2.598 20 30 FEEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000415473169 559241066 /nfs/dbraw/zinc/24/10/66/559241066.db2.gz CBIHBMAVNVSQIX-KFWWJZLASA-N 1 0 372.494 2.230 20 30 FEEDRO CN(CC(C)(C)C[NH3+])C(=O)C(=O)Nc1nc(-c2cccc(C#N)c2)cs1 ZINC000415486855 559242463 /nfs/dbraw/zinc/24/24/63/559242463.db2.gz SFCPHLWXXCMSQP-UHFFFAOYSA-N 1 0 371.466 2.064 20 30 FEEDRO CC(C)Oc1ccc(NC(=O)C(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1C#N ZINC000415537592 559247705 /nfs/dbraw/zinc/24/77/05/559247705.db2.gz HAPBPDGMCABICT-SJPCQFCGSA-N 1 0 370.453 2.025 20 30 FEEDRO CC(C)[C@@H]1CCc2c(C#N)c(NC(=O)C(=O)NCCCC[NH3+])sc2C1 ZINC000415555486 559249286 /nfs/dbraw/zinc/24/92/86/559249286.db2.gz BQFHNUDCENIJCZ-GFCCVEGCSA-N 1 0 362.499 2.174 20 30 FEEDRO C[C@@]1(CNC(=O)C(=O)Nc2ccccc2SCCC#N)CCC[NH2+]C1 ZINC000415576039 559251631 /nfs/dbraw/zinc/25/16/31/559251631.db2.gz FREBVQIRAHYOOD-GOSISDBHSA-N 1 0 360.483 2.137 20 30 FEEDRO C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)NCC2([NH3+])CCCCC2)cc1 ZINC000415605274 559254551 /nfs/dbraw/zinc/25/45/51/559254551.db2.gz WXJSJJMURATBNM-ZDUSSCGKSA-N 1 0 364.471 2.155 20 30 FEEDRO C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2cccc(C#Cc3ccccc3)c2)CC[NH2+]1 ZINC000415655553 559258674 /nfs/dbraw/zinc/25/86/74/559258674.db2.gz HSCZVZAPJGGSDC-UZLBHIALSA-N 1 0 361.445 2.282 20 30 FEEDRO C[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccccc2C#Cc2ccccc2)CC[NH2+]1 ZINC000415660813 559259138 /nfs/dbraw/zinc/25/91/38/559259138.db2.gz OCIRDZLMLIZASY-VQIMIIECSA-N 1 0 361.445 2.282 20 30 FEEDRO Cc1c(C#N)cccc1NC(=O)C(=O)N(CCC[NH3+])Cc1ccccc1 ZINC000415665917 559259653 /nfs/dbraw/zinc/25/96/53/559259653.db2.gz VKXJYBAYYRIIJS-UHFFFAOYSA-N 1 0 350.422 2.183 20 30 FEEDRO N#CCc1ccc(NC(=O)C(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c(Cl)c1 ZINC000415858709 559279164 /nfs/dbraw/zinc/27/91/64/559279164.db2.gz UCCAIDHLVMLVQO-HUUCEWRRSA-N 1 0 374.872 2.193 20 30 FEEDRO C[C@@H](CNC(=O)N[C@@H]1CCCc2cc(C#N)ccc21)C[NH+]1CCN(C)CC1 ZINC000416688321 559329819 /nfs/dbraw/zinc/32/98/19/559329819.db2.gz PABOJIAUIACLEO-OXJNMPFZSA-N 1 0 369.513 2.118 20 30 FEEDRO C=C(C)COc1cccc(NC(=O)N2CC[N@H+](C)C[C@H](C(=O)OC)C2)c1 ZINC000416795473 559332961 /nfs/dbraw/zinc/33/29/61/559332961.db2.gz TYKHAAQEHRJMNM-HNNXBMFYSA-N 1 0 361.442 2.210 20 30 FEEDRO C=CCn1c(-c2ncccn2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC000417462236 559362974 /nfs/dbraw/zinc/36/29/74/559362974.db2.gz WMBNPJMLODUINX-UHFFFAOYSA-N 1 0 355.490 2.479 20 30 FEEDRO C[NH2+]C[C@H]1CCCN1C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000417575253 559367252 /nfs/dbraw/zinc/36/72/52/559367252.db2.gz IZQPVKPSBCMSBY-HZPDHXFCSA-N 1 0 359.449 2.060 20 30 FEEDRO N#Cc1ccc(N2CCC[C@@H](NC(=O)NC3CCC([NH3+])CC3)C2)c(F)c1 ZINC000417582336 559367814 /nfs/dbraw/zinc/36/78/14/559367814.db2.gz VHQMCDYEJZPDIX-UYSNPLJNSA-N 1 0 359.449 2.235 20 30 FEEDRO C[NH2+]C[C@H]1CCN(C(=O)NC2CCC(Oc3ccccc3C#N)CC2)C1 ZINC000417600399 559368867 /nfs/dbraw/zinc/36/88/67/559368867.db2.gz JHJLLFOUABRLIN-FAEJEUNOSA-N 1 0 356.470 2.499 20 30 FEEDRO N#Cc1ccc(N2CCN(C(=O)N[C@@H]3CCCC[C@@H]3C[NH3+])CC2)c(F)c1 ZINC000418420226 559400987 /nfs/dbraw/zinc/40/09/87/559400987.db2.gz YUBRFUNZOPFNLU-NVXWUHKLSA-N 1 0 359.449 2.046 20 30 FEEDRO C[C@H]1C[C@H](NC(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)CC[NH2+]1 ZINC000418605898 559407659 /nfs/dbraw/zinc/40/76/59/559407659.db2.gz PYCKRYXELNZVMT-KBXCAEBGSA-N 1 0 369.469 2.059 20 30 FEEDRO C[C@H](CCC[NH3+])NC(=O)N1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000418686539 559411192 /nfs/dbraw/zinc/41/11/92/559411192.db2.gz KETSERDLMJFQBU-OAHLLOKOSA-N 1 0 366.469 2.065 20 30 FEEDRO C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000419064077 559426780 /nfs/dbraw/zinc/42/67/80/559426780.db2.gz XGJAYIXYOJFABE-MOPGFXCFSA-N 1 0 357.498 2.314 20 30 FEEDRO C=CCCC[C@H](C)NC(=O)C(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1 ZINC000419159687 559430565 /nfs/dbraw/zinc/43/05/65/559430565.db2.gz XQIYYJPDOUDTPV-QGTPRVQTSA-N 1 0 361.461 2.330 20 30 FEEDRO C[C@H](NC(=O)C(=O)NCCCC[NH3+])c1ccc(-c2cccc(C#N)c2)cc1 ZINC000419181328 559431755 /nfs/dbraw/zinc/43/17/55/559431755.db2.gz ANYAEOPYVLLYHG-HNNXBMFYSA-N 1 0 364.449 2.258 20 30 FEEDRO C=CCC[C@H](NC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1)c1ccccc1 ZINC000419661520 559452373 /nfs/dbraw/zinc/45/23/73/559452373.db2.gz FOCJWASPCHXDNN-RDGPPVDQSA-N 1 0 355.482 2.396 20 30 FEEDRO C=CCC[C@H](NC(=O)C(=O)N1CCC(OCCC[NH3+])CC1)c1ccccc1 ZINC000419664675 559452520 /nfs/dbraw/zinc/45/25/20/559452520.db2.gz MOWRMAKSTOCQMZ-IBGZPJMESA-N 1 0 373.497 2.167 20 30 FEEDRO C[NH+](C)C1(CNC(=O)C(=O)Nc2cccc(C#Cc3ccccc3)c2)CC1 ZINC000419821362 559461116 /nfs/dbraw/zinc/46/11/16/559461116.db2.gz VQJUYYKPCHUMES-UHFFFAOYSA-N 1 0 361.445 2.235 20 30 FEEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000419921074 559464614 /nfs/dbraw/zinc/46/46/14/559464614.db2.gz XMXILPNCGQGPGE-IBGZPJMESA-N 1 0 364.449 2.113 20 30 FEEDRO C=CCC[C@@H]1NC(=O)N(Cc2ccc(C[NH+]3CCC(O)CC3)cc2)C1=O ZINC000420004845 559468509 /nfs/dbraw/zinc/46/85/09/559468509.db2.gz WAMMESCUCFHQQJ-SFHVURJKSA-N 1 0 357.454 2.030 20 30 FEEDRO C[C@H]1C[C@@H](CO)C[N@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC000420943018 559513223 /nfs/dbraw/zinc/51/32/23/559513223.db2.gz PKMHLGJVAWUPJP-GOEBONIOSA-N 1 0 368.399 2.123 20 30 FEEDRO Cc1cc(S(=O)(=O)NCC[NH2+]Cc2ccc(C#N)c(F)c2)c(C)s1 ZINC000421339451 559539655 /nfs/dbraw/zinc/53/96/55/559539655.db2.gz GCOAEYPPVYWPOS-UHFFFAOYSA-N 1 0 367.471 2.444 20 30 FEEDRO CN(CC[NH2+]Cc1ccc(C#N)c(F)c1)S(=O)(=O)c1cccs1 ZINC000421344114 559539696 /nfs/dbraw/zinc/53/96/96/559539696.db2.gz RYIXKIAGWCLWMT-UHFFFAOYSA-N 1 0 353.444 2.169 20 30 FEEDRO Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N(C)C[C@H]3CCC[N@@H+]3C)C2)n1 ZINC000421715136 559550626 /nfs/dbraw/zinc/55/06/26/559550626.db2.gz XBQXIASXWNAOMY-ZWKOTPCHSA-N 1 0 355.486 2.031 20 30 FEEDRO C[C@H](CCNC(=O)C(=O)NCC(C)(C)CC#N)[N@H+](C)Cc1ccccc1 ZINC000422395113 559584729 /nfs/dbraw/zinc/58/47/29/559584729.db2.gz FGCURWGMCMJUHU-MRXNPFEDSA-N 1 0 358.486 2.069 20 30 FEEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000422486442 559591382 /nfs/dbraw/zinc/59/13/82/559591382.db2.gz GUTRZZYEUCYHFV-SFHVURJKSA-N 1 0 370.497 2.145 20 30 FEEDRO C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000422547723 559594424 /nfs/dbraw/zinc/59/44/24/559594424.db2.gz XNWIZNSAROLGTM-PMACEKPBSA-N 1 0 371.525 2.480 20 30 FEEDRO C=C(C)[C@@H](NC(=O)C(=O)N1CCC2(CC[NH2+]2)CC1)c1ccc(F)c(F)c1 ZINC000422965776 559613285 /nfs/dbraw/zinc/61/32/85/559613285.db2.gz PQXKSIHQRZXSCB-MRXNPFEDSA-N 1 0 363.408 2.053 20 30 FEEDRO C=CCN(Cc1ccccc1F)C(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000423181923 559622127 /nfs/dbraw/zinc/62/21/27/559622127.db2.gz JYLZPSQENHJUFK-IBGZPJMESA-N 1 0 373.472 2.331 20 30 FEEDRO C=C(C)CN(Cc1ccccc1)C(=O)C(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000423367991 559626887 /nfs/dbraw/zinc/62/68/87/559626887.db2.gz MTSOGGUCWZSZRP-PMACEKPBSA-N 1 0 369.509 2.439 20 30 FEEDRO COC(=O)[C@@H](CNC(=O)[C@H]([NH3+])CCCC#N)Cc1ccc2ccccc2c1 ZINC000424121946 559655521 /nfs/dbraw/zinc/65/55/21/559655521.db2.gz IQLRWRQEXUPHQR-RTBURBONSA-N 1 0 367.449 2.309 20 30 FEEDRO COc1cc(OC)c(NC(=O)[C@@H]([NH3+])CCCC#N)cc1Br ZINC000424168583 559656620 /nfs/dbraw/zinc/65/66/20/559656620.db2.gz GDBICYJAGYLVTB-JTQLQIEISA-N 1 0 356.220 2.426 20 30 FEEDRO C[C@@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000424326990 559661521 /nfs/dbraw/zinc/66/15/21/559661521.db2.gz MILPMTDLPCTFLN-HLLBOEOZSA-N 1 0 363.483 2.050 20 30 FEEDRO Cc1cc(C[NH3+])cc(NC(=O)C(=O)N(Cc2ccc(C#N)cc2)C2CC2)c1 ZINC000424475885 559666721 /nfs/dbraw/zinc/66/67/21/559666721.db2.gz ZLKLITCMQOVGRC-UHFFFAOYSA-N 1 0 362.433 2.455 20 30 FEEDRO C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424559062 559669263 /nfs/dbraw/zinc/66/92/63/559669263.db2.gz XHEFZKIDNYGCAV-PKOBYXMFSA-N 1 0 369.509 2.281 20 30 FEEDRO C=CCCn1cc(C(=O)N(C)C2CC[NH+](CCc3ccccn3)CC2)nn1 ZINC000424632271 559671763 /nfs/dbraw/zinc/67/17/63/559671763.db2.gz UBAUQRKWXPOLQK-UHFFFAOYSA-N 1 0 368.485 2.028 20 30 FEEDRO CC(C)[NH+]1CCC(N2CCN(c3ncc4c(c3C#N)CCC4)CC2)CC1 ZINC000425242940 559693043 /nfs/dbraw/zinc/69/30/43/559693043.db2.gz SJSYUPYZQYHTIL-UHFFFAOYSA-N 1 0 353.514 2.437 20 30 FEEDRO C[C@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000425385000 559699145 /nfs/dbraw/zinc/69/91/45/559699145.db2.gz MWOWPWGOTDZSKV-VQIMIIECSA-N 1 0 368.481 2.164 20 30 FEEDRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)N[C@@H]2CC[C@H](C#N)C2)CC1 ZINC000425428491 559701878 /nfs/dbraw/zinc/70/18/78/559701878.db2.gz WCEBNWXGVCUVIC-FXAWDEMLSA-N 1 0 369.513 2.316 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H]1CC[N@@H+](CCCOCC)C[C@@H]1C ZINC000425456414 559703067 /nfs/dbraw/zinc/70/30/67/559703067.db2.gz WODLNNHKTJQRAQ-FJIDUMEYSA-N 1 0 353.507 2.014 20 30 FEEDRO COc1cc(C#N)ccc1OCC[NH2+][C@@H](C1CCOCC1)C1(CO)CCC1 ZINC000425543958 559708766 /nfs/dbraw/zinc/70/87/66/559708766.db2.gz PFZFXJHDBSKFQW-FQEVSTJZSA-N 1 0 374.481 2.493 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCC(CCC[N@@H+](C)CCOC)CC1 ZINC000425561447 559709854 /nfs/dbraw/zinc/70/98/54/559709854.db2.gz BKHDDYFKXUTPHF-OALUTQOASA-N 1 0 367.534 2.358 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)NCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000425724268 559716098 /nfs/dbraw/zinc/71/60/98/559716098.db2.gz KHNWARYILPHDTR-IHPCNDPISA-N 1 0 373.497 2.034 20 30 FEEDRO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000425908512 559724904 /nfs/dbraw/zinc/72/49/04/559724904.db2.gz IFZLTQPFHYAGNY-KXBFYZLASA-N 1 0 368.481 2.211 20 30 FEEDRO C=CCC[C@@H](C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ccccc1 ZINC000427121870 559748515 /nfs/dbraw/zinc/74/85/15/559748515.db2.gz MNRZIKXCTCPIDR-RTBURBONSA-N 1 0 357.498 2.440 20 30 FEEDRO CC[NH+](CC)Cc1ccccc1CNS(=O)(=O)c1cccnc1C#N ZINC000428272617 559772640 /nfs/dbraw/zinc/77/26/40/559772640.db2.gz VTIKUCYDRVEWKS-UHFFFAOYSA-N 1 0 358.467 2.274 20 30 FEEDRO CC[NH+](CC)[C@@H](CNS(=O)(=O)c1cccnc1C#N)Cc1ccccc1 ZINC000428272072 559772658 /nfs/dbraw/zinc/77/26/58/559772658.db2.gz RJOSFLPLVOPZGU-QGZVFWFLSA-N 1 0 372.494 2.185 20 30 FEEDRO N#Cc1ccc(C[C@H](C#N)C(=O)Nc2cccc(C[N@H+]3CC[C@H](O)C3)c2)cc1 ZINC000428549547 559777854 /nfs/dbraw/zinc/77/78/54/559777854.db2.gz QBCMAOGHUXGAAI-CTNGQTDRSA-N 1 0 374.444 2.446 20 30 FEEDRO COCCS(=O)(=O)c1ccc(C[NH2+]Cc2ccc(C#N)s2)cc1 ZINC000428561337 559778431 /nfs/dbraw/zinc/77/84/31/559778431.db2.gz RNNJPWXZJCRPBD-UHFFFAOYSA-N 1 0 350.465 2.330 20 30 FEEDRO COC(=O)c1ccccc1OCC[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000428785562 559783250 /nfs/dbraw/zinc/78/32/50/559783250.db2.gz GVGCVGWJOOVUHT-MRXNPFEDSA-N 1 0 367.405 2.272 20 30 FEEDRO C=CCN(CCC#N)CC(=O)N1CCC[N@@H+](Cc2ccc(C)cc2)CC1 ZINC000428833137 559784417 /nfs/dbraw/zinc/78/44/17/559784417.db2.gz IJBBLGSFXDMYQM-UHFFFAOYSA-N 1 0 354.498 2.431 20 30 FEEDRO CCC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)CC(N)=O ZINC000429124765 559791207 /nfs/dbraw/zinc/79/12/07/559791207.db2.gz ARYMMJRCHFXXEJ-UHFFFAOYSA-N 1 0 362.499 2.415 20 30 FEEDRO C[C@H]1CC[C@H]([N@H+](CCO)CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1 ZINC000429773994 559805442 /nfs/dbraw/zinc/80/54/42/559805442.db2.gz SAFLQQHEOBJAPG-YJBOKZPZSA-N 1 0 367.453 2.165 20 30 FEEDRO C=CCN(C(=O)CC1CC[NH2+]CC1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000430527813 559821711 /nfs/dbraw/zinc/82/17/11/559821711.db2.gz VXSBSZBGEXYBNV-HNNXBMFYSA-N 1 0 354.458 2.128 20 30 FEEDRO N#Cc1ccccc1NC(=O)CCCC(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000432462447 559859338 /nfs/dbraw/zinc/85/93/38/559859338.db2.gz SXNYCRIHXGPLPR-ZWKOTPCHSA-N 1 0 354.454 2.410 20 30 FEEDRO CCN1CC[NH+](C[C@H](C)CNC(=O)[C@H](C#N)CCc2ccccc2)CC1 ZINC000433358541 559878433 /nfs/dbraw/zinc/87/84/33/559878433.db2.gz BUTBCZNDGPFUQS-QUCCMNQESA-N 1 0 356.514 2.149 20 30 FEEDRO COC[C@H]([NH2+][C@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1)[C@@H]1CCCO1 ZINC000434781746 559909257 /nfs/dbraw/zinc/90/92/57/559909257.db2.gz DEOHQTSFKUKYGW-ASLPWWTFSA-N 1 0 351.491 2.089 20 30 FEEDRO CC(=O)NC[C@H]1CCC[N@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000434834845 559910405 /nfs/dbraw/zinc/91/04/05/559910405.db2.gz VTAWXOXYEGAJPF-QGZVFWFLSA-N 1 0 366.469 2.207 20 30 FEEDRO COCC[N@H+](Cc1cn(CCC#N)nc1-c1ccncc1)[C@@H]1CCOC1 ZINC000434990701 559913941 /nfs/dbraw/zinc/91/39/41/559913941.db2.gz ISBLDNHTXGGNAW-GOSISDBHSA-N 1 0 355.442 2.096 20 30 FEEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)S(=O)(=O)c1ccc(C#N)s1 ZINC000435430978 559922660 /nfs/dbraw/zinc/92/26/60/559922660.db2.gz GJLDUESTLYOAMQ-UHFFFAOYSA-N 1 0 374.491 2.244 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1ccc(OCC(=O)NCC)c(OC)c1 ZINC000435740666 559929246 /nfs/dbraw/zinc/92/92/46/559929246.db2.gz FUFPWXNPAYOKED-JXFKEZNVSA-N 1 0 362.470 2.281 20 30 FEEDRO C=CCN1C(=O)c2ccc(C(=O)N3CC[C@@H]([NH+](CC)CC)C3)cc2C1=O ZINC000437191181 559961620 /nfs/dbraw/zinc/96/16/20/559961620.db2.gz SPVIGDGIHRMMFB-OAHLLOKOSA-N 1 0 355.438 2.025 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000437985740 559972624 /nfs/dbraw/zinc/97/26/24/559972624.db2.gz MMRSKKWZFHAFHG-WMZOPIPTSA-N 1 0 353.507 2.110 20 30 FEEDRO CN(C)c1ncc(C[NH2+]C2CCC(Oc3ncccc3C#N)CC2)cn1 ZINC000438493842 559979702 /nfs/dbraw/zinc/97/97/02/559979702.db2.gz MXABKIKBICKIPK-UHFFFAOYSA-N 1 0 352.442 2.289 20 30 FEEDRO CSCCC[N@H+](C)CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 ZINC000439472618 559994961 /nfs/dbraw/zinc/99/49/61/559994961.db2.gz SPJOSLDIIABLGS-HNNXBMFYSA-N 1 0 366.556 2.142 20 30 FEEDRO C[C@H]1C[C@H](C)C[NH+](CCCNS(=O)(=O)Cc2ccc(C#N)cc2F)C1 ZINC000440042682 560003688 /nfs/dbraw/zinc/00/36/88/560003688.db2.gz BHBDSSDQMLVNNJ-GJZGRUSLSA-N 1 0 367.490 2.485 20 30 FEEDRO CO[C@@H]1C[C@@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)C1(C)C ZINC000440342488 560009080 /nfs/dbraw/zinc/00/90/80/560009080.db2.gz RLKVVFUWHMEFSZ-QZTJIDSGSA-N 1 0 358.486 2.445 20 30 FEEDRO C=CCN(C(=O)N[C@@H](C)CC[NH+](C)C)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000440991578 560021151 /nfs/dbraw/zinc/02/11/51/560021151.db2.gz YQJXKTNEWLCDNA-HOTGVXAUSA-N 1 0 371.489 2.261 20 30 FEEDRO C=CCN(CC=C)C(=O)[C@@H](C)N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000441074018 560022770 /nfs/dbraw/zinc/02/27/70/560022770.db2.gz YZNKWVRSCUQJGC-LJQANCHMSA-N 1 0 362.562 2.066 20 30 FEEDRO CCN1C[C@@H](C)N(C(=O)C(=O)Nc2cc(C#N)ccc2OC(C)C)C[C@@H]1C ZINC000441090061 560023388 /nfs/dbraw/zinc/02/33/88/560023388.db2.gz CAWPVIZPTATDBT-LSDHHAIUSA-N 1 0 372.469 2.225 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)COc2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000441386108 560030917 /nfs/dbraw/zinc/03/09/17/560030917.db2.gz PQFKMXSDWBOHPP-UHFFFAOYSA-N 1 0 370.409 2.288 20 30 FEEDRO CC[NH+](CC)CC1CCN(C(=O)C(=O)Nc2cccc(C)c2C#N)CC1 ZINC000441666394 560037409 /nfs/dbraw/zinc/03/74/09/560037409.db2.gz OYXMWYULKUTBSG-UHFFFAOYSA-N 1 0 356.470 2.386 20 30 FEEDRO CCCC[N@H+](C)CCNC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000441979899 560041783 /nfs/dbraw/zinc/04/17/83/560041783.db2.gz IGLGRKDHBJLRNB-UHFFFAOYSA-N 1 0 370.375 2.364 20 30 FEEDRO CC[NH+]1CCN([C@@H]2CCN(c3ccc(C(F)(F)F)c(C#N)n3)C2)CC1 ZINC000443523821 560086384 /nfs/dbraw/zinc/08/63/84/560086384.db2.gz QSQMRXOENWUGRK-CYBMUJFWSA-N 1 0 353.392 2.188 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1C(F)(F)F ZINC000447243955 560158618 /nfs/dbraw/zinc/15/86/18/560158618.db2.gz BZDHDMHMNNTYHC-WHOFXGATSA-N 1 0 373.400 2.325 20 30 FEEDRO C=C(C)CN(CC)C(=O)C[N@H+](Cc1ccccc1)C[C@@]1(O)CCO[C@@H]1C ZINC000447927402 560173477 /nfs/dbraw/zinc/17/34/77/560173477.db2.gz OZIYTZWVEBLRBI-NQIIRXRSSA-N 1 0 360.498 2.453 20 30 FEEDRO CCOc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000448326049 560184675 /nfs/dbraw/zinc/18/46/75/560184675.db2.gz VWAXGDULSMWTCK-QGZVFWFLSA-N 1 0 372.469 2.132 20 30 FEEDRO CC(C)[N@H+](C)CCNC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 ZINC000448983015 560210273 /nfs/dbraw/zinc/21/02/73/560210273.db2.gz ZAFHOCFRWDTOQE-AWEZNQCLSA-N 1 0 362.861 2.021 20 30 FEEDRO C=CCCCC[C@@H](C)[NH2+]C1CCN(S(=O)(=O)c2cnn(C)c2)CC1 ZINC000449164438 560218734 /nfs/dbraw/zinc/21/87/34/560218734.db2.gz PTCNKGNMXVRNRF-OAHLLOKOSA-N 1 0 354.520 2.298 20 30 FEEDRO CC(C)[NH+]1CCN(C(=O)COc2ccc(C#N)c(Br)c2)CC1 ZINC000449465025 560231023 /nfs/dbraw/zinc/23/10/23/560231023.db2.gz ATACSJQHWCQJLQ-UHFFFAOYSA-N 1 0 366.259 2.252 20 30 FEEDRO C=CCOc1ccc(C(F)(F)F)cc1C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000449708026 560237748 /nfs/dbraw/zinc/23/77/48/560237748.db2.gz FMDZFUHOXVUECC-CYBMUJFWSA-N 1 0 358.360 2.379 20 30 FEEDRO Cc1[nH]c(C#N)cc1C(=O)N(C)C[C@@H](c1cccs1)N1CCOCC1 ZINC000450042301 560248963 /nfs/dbraw/zinc/24/89/63/560248963.db2.gz LPMJZFTUAMYPQW-INIZCTEOSA-N 1 0 358.467 2.402 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@H](c1cccs1)N1CCOCC1 ZINC000450041754 560249001 /nfs/dbraw/zinc/24/90/01/560249001.db2.gz KOIHSYCRKYKDHH-OAGGEKHMSA-N 1 0 350.484 2.171 20 30 FEEDRO C[C@@H]1C[NH+](C)C[C@@H](C)N1C(=O)COc1cccc(Br)c1C#N ZINC000450245221 560255389 /nfs/dbraw/zinc/25/53/89/560255389.db2.gz XJMSZCFEOFPDJK-VXGBXAGGSA-N 1 0 366.259 2.251 20 30 FEEDRO C[N@H+](CCNS(=O)(=O)Cc1ccc(F)cc1C#N)C1CCCCC1 ZINC000451133404 560288992 /nfs/dbraw/zinc/28/89/92/560288992.db2.gz YTSKUCWNGBDKTG-UHFFFAOYSA-N 1 0 353.463 2.381 20 30 FEEDRO CC[N@@H+]1CCC[C@H](CNS(=O)(=O)c2ccc(CC#N)cc2Cl)C1 ZINC000451151045 560289979 /nfs/dbraw/zinc/28/99/79/560289979.db2.gz VEERVKWOTGLOLG-CQSZACIVSA-N 1 0 355.891 2.416 20 30 FEEDRO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1ccc(CC#N)cc1Cl ZINC000451190187 560292287 /nfs/dbraw/zinc/29/22/87/560292287.db2.gz KLXDBURKOZRBBQ-OCCSQVGLSA-N 1 0 353.875 2.263 20 30 FEEDRO CC[C@@H]1[C@@H](CO)CC[N@@H+]1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000451253352 560296122 /nfs/dbraw/zinc/29/61/22/560296122.db2.gz JNWGCEWMFDTREN-NVXWUHKLSA-N 1 0 368.399 2.266 20 30 FEEDRO CCOC(=O)[C@@H]1CCCC[C@@H]1[NH2+]CCS(=O)(=O)c1cccc(C#N)c1 ZINC000451595098 560316533 /nfs/dbraw/zinc/31/65/33/560316533.db2.gz CERKERXPQSWRTM-SJORKVTESA-N 1 0 364.467 2.043 20 30 FEEDRO COCC[NH+](CCOC)C1CCN(C(=O)[C@@]2(C#N)CC23CCCC3)CC1 ZINC000451717890 560324536 /nfs/dbraw/zinc/32/45/36/560324536.db2.gz ZSWFGUADQUJTQD-FQEVSTJZSA-N 1 0 363.502 2.046 20 30 FEEDRO C=CCn1c([C@@H]2CCCO2)nnc1N1CC[N@H+](CCOC)[C@H](CCC)C1 ZINC000453425643 560386404 /nfs/dbraw/zinc/38/64/04/560386404.db2.gz NQEFGUHVLCCGKU-SJORKVTESA-N 1 0 363.506 2.253 20 30 FEEDRO C=CCn1c(N2CC[N@H+](CCOC)[C@@H](CC)C2)nnc1[C@]1(C)CCCO1 ZINC000453447458 560386875 /nfs/dbraw/zinc/38/68/75/560386875.db2.gz XKGSDNSPDAHQHT-LPHOPBHVSA-N 1 0 363.506 2.037 20 30 FEEDRO C=CCn1c([C@H](C)OCCOC)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC000453452367 560387184 /nfs/dbraw/zinc/38/71/84/560387184.db2.gz SYHRQFRKROTLRB-INIZCTEOSA-N 1 0 351.495 2.109 20 30 FEEDRO CN(CC1CC[NH+](C)CC1)C(=O)C(=O)Nc1ccc(CC#N)cc1Cl ZINC000453632341 560392188 /nfs/dbraw/zinc/39/21/88/560392188.db2.gz HSWXLZWXBVMIPA-UHFFFAOYSA-N 1 0 362.861 2.145 20 30 FEEDRO CCC(CC)[C@H](CNC(=O)C(=O)Nc1cnc(C#N)c(Cl)c1)[NH+](C)C ZINC000453650096 560393473 /nfs/dbraw/zinc/39/34/73/560393473.db2.gz WGAPVMYQUJWBMY-HNNXBMFYSA-N 1 0 365.865 2.028 20 30 FEEDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)Nc3ccc(CC#N)cc3Cl)CC[C@@H]21 ZINC000453670688 560395425 /nfs/dbraw/zinc/39/54/25/560395425.db2.gz JLKRTNMRDUKIKY-PBHICJAKSA-N 1 0 374.872 2.287 20 30 FEEDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1cccc(CC#N)c1 ZINC000453676594 560395886 /nfs/dbraw/zinc/39/58/86/560395886.db2.gz UKTJWIGYJQTOAM-GOSISDBHSA-N 1 0 356.470 2.318 20 30 FEEDRO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1ccc(CC#N)cc1Cl ZINC000453691155 560397143 /nfs/dbraw/zinc/39/71/43/560397143.db2.gz JEBDYFCVMHAALZ-CQSZACIVSA-N 1 0 362.861 2.287 20 30 FEEDRO Cc1nc(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)ccc1C#N ZINC000453725999 560399817 /nfs/dbraw/zinc/39/98/17/560399817.db2.gz CWNNYJWXPHBMAV-KRWDZBQOSA-N 1 0 369.469 2.114 20 30 FEEDRO C=CC(C)(C)CNC(=O)C(=O)Nc1ccc(C)c(NC(=O)CC[NH+](C)C)c1 ZINC000453876311 560410022 /nfs/dbraw/zinc/41/00/22/560410022.db2.gz DRJBVLSPIUHVJB-UHFFFAOYSA-N 1 0 374.485 2.152 20 30 FEEDRO C=CCC[C@@H](CO)NC(=O)C(=O)Nc1cccc2c1C[N@H+]([C@@H](C)C(C)C)C2 ZINC000454048763 560424771 /nfs/dbraw/zinc/42/47/71/560424771.db2.gz BHKRJFHOGJTCOL-RDJZCZTQSA-N 1 0 373.497 2.429 20 30 FEEDRO C[N@H+](CCCCNC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1)C1CC1 ZINC000454097676 560429073 /nfs/dbraw/zinc/42/90/73/560429073.db2.gz PCPWCNVPZSJPSE-UHFFFAOYSA-N 1 0 356.470 2.417 20 30 FEEDRO C=CCCCCNC(=O)N1CCC[C@@H](C[N@H+]2CCCN(C(C)=O)CC2)C1 ZINC000454825018 560459561 /nfs/dbraw/zinc/45/95/61/560459561.db2.gz YDBRIQLBORXTFW-IBGZPJMESA-N 1 0 364.534 2.319 20 30 FEEDRO N#Cc1ccc(CNC(=O)N2CCC(CC[NH+]3CCOCC3)CC2)cc1F ZINC000455537237 560486184 /nfs/dbraw/zinc/48/61/84/560486184.db2.gz IYWFQNXALJSBIR-UHFFFAOYSA-N 1 0 374.460 2.341 20 30 FEEDRO C[C@H]1C[N@H+](CCCNC(=O)Nc2cnc(C#N)c(Cl)c2)CCCO1 ZINC000455760076 560494039 /nfs/dbraw/zinc/49/40/39/560494039.db2.gz MDVXMOWHLIWFAQ-LBPRGKRZSA-N 1 0 351.838 2.229 20 30 FEEDRO C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCC[NH+]1CCC(O)CC1 ZINC000456587684 560525056 /nfs/dbraw/zinc/52/50/56/560525056.db2.gz NBTMHOPXQHUBQK-UHFFFAOYSA-N 1 0 372.387 2.457 20 30 FEEDRO C=CCC[C@H](NC(=O)c1cccc(CN2CC[NH+](C)CC2)c1)C(=O)OCC ZINC000456625422 560526260 /nfs/dbraw/zinc/52/62/60/560526260.db2.gz KBHZRFMSSRJVJE-IBGZPJMESA-N 1 0 373.497 2.062 20 30 FEEDRO C=CC(C)(C)CNC(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000458984450 560660312 /nfs/dbraw/zinc/66/03/12/560660312.db2.gz GICZHRJQIGQSAN-UHFFFAOYSA-N 1 0 364.534 2.222 20 30 FEEDRO CC[NH+](CC)CCN(CCOC)C(=O)NCc1ccc(C#N)c(F)c1 ZINC000459114938 560667510 /nfs/dbraw/zinc/66/75/10/560667510.db2.gz IYPCXCZOMLKZOH-UHFFFAOYSA-N 1 0 350.438 2.197 20 30 FEEDRO N#C[C@H]1CCC[C@@H]1NCC(=O)N1CCN(Cc2cccc(Cl)c2)CC1 ZINC000459453927 560687343 /nfs/dbraw/zinc/68/73/43/560687343.db2.gz DHAGMKOXWNQRAL-AEFFLSMTSA-N 1 0 360.889 2.266 20 30 FEEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CNC(C)(C)C[NH+](C)C)c1C#N ZINC000459550681 560693495 /nfs/dbraw/zinc/69/34/95/560693495.db2.gz QAIXPFVGURPKLM-UHFFFAOYSA-N 1 0 371.485 2.486 20 30 FEEDRO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC[C@](C)(C(=O)OC(C)(C)C)C1 ZINC000459586724 560696023 /nfs/dbraw/zinc/69/60/23/560696023.db2.gz PMBJJONLYQIMAB-CCKFTAQKSA-N 1 0 351.491 2.483 20 30 FEEDRO CCOCCCn1c(-c2cccc(C#N)c2)nnc1N1CC[NH+](CC)CC1 ZINC000460733522 560750419 /nfs/dbraw/zinc/75/04/19/560750419.db2.gz UGSXSQSIYRFSLG-UHFFFAOYSA-N 1 0 368.485 2.385 20 30 FEEDRO CC(C)[NH+](CCNC(=O)C1CCN(C(=O)CCCC#N)CC1)C(C)C ZINC000461917146 560787843 /nfs/dbraw/zinc/78/78/43/560787843.db2.gz DONZSKGQHUEKPL-UHFFFAOYSA-N 1 0 350.507 2.154 20 30 FEEDRO C[C@@H](C(=O)NCc1cccnc1N1CC[NH+](C)CC1)c1cccc(C#N)c1 ZINC000461921150 560787951 /nfs/dbraw/zinc/78/79/51/560787951.db2.gz TVYKTSNBFIJMBH-MRXNPFEDSA-N 1 0 363.465 2.125 20 30 FEEDRO COc1ccc([C@H](CNC(=O)N[C@H]2CCC[C@H]2C#N)[NH+](C)C)cc1OC ZINC000461936801 560788779 /nfs/dbraw/zinc/78/87/79/560788779.db2.gz AWFODCSEOBHYBA-JYJNAYRXSA-N 1 0 360.458 2.298 20 30 FEEDRO N#C[C@@H]1CCC[C@H]1NC(=O)NCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000461944955 560788981 /nfs/dbraw/zinc/78/89/81/560788981.db2.gz WNEHEBKCNUVKDZ-ZYSHUDEJSA-N 1 0 356.470 2.135 20 30 FEEDRO N#C[C@@H]1CCC[C@H]1NC(=O)NCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000461944953 560789134 /nfs/dbraw/zinc/78/91/34/560789134.db2.gz WNEHEBKCNUVKDZ-KFKAGJAMSA-N 1 0 356.470 2.135 20 30 FEEDRO CC[N@@H+]1C[C@H](C)N(C(=O)Nc2cnn(-c3ncccc3C#N)c2)C[C@H]1C ZINC000462078783 560795434 /nfs/dbraw/zinc/79/54/34/560795434.db2.gz AODWOBIRCZMTME-KGLIPLIRSA-N 1 0 353.430 2.085 20 30 FEEDRO CC[N@@H+]1C[C@@H](C)N(C(=O)Nc2cnn(-c3ncccc3C#N)c2)C[C@@H]1C ZINC000462078784 560795619 /nfs/dbraw/zinc/79/56/19/560795619.db2.gz AODWOBIRCZMTME-UONOGXRCSA-N 1 0 353.430 2.085 20 30 FEEDRO COc1cc(C#N)ccc1S(=O)(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000463699875 560821709 /nfs/dbraw/zinc/82/17/09/560821709.db2.gz SRYHXRXWOXLDLW-UHFFFAOYSA-N 1 0 365.499 2.500 20 30 FEEDRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1ccc(C#N)nc1 ZINC000464938813 560855442 /nfs/dbraw/zinc/85/54/42/560855442.db2.gz HUIZUINEXMMFDJ-UHFFFAOYSA-N 1 0 365.437 2.356 20 30 FEEDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)CCC(=O)N(CCC#N)c1ccccc1 ZINC000467022145 560901673 /nfs/dbraw/zinc/90/16/73/560901673.db2.gz HCFSLQYJDLFONU-QFBILLFUSA-N 1 0 368.481 2.312 20 30 FEEDRO C=CCC[N@@H+](C)Cc1nc2cc(S(=O)(=O)N(C)C)ccc2n1CC ZINC000467302488 560908282 /nfs/dbraw/zinc/90/82/82/560908282.db2.gz ZHISBFVDLQYHEI-UHFFFAOYSA-N 1 0 350.488 2.314 20 30 FEEDRO Cc1cn2ccnc(C(=O)N(CC[NH+](C)C)Cc3cccc(C#N)c3)c2n1 ZINC000469014049 560944789 /nfs/dbraw/zinc/94/47/89/560944789.db2.gz QAQARKBYLNWESR-UHFFFAOYSA-N 1 0 362.437 2.113 20 30 FEEDRO CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NCC[N@@H+]1CCCC(C)(C)C1 ZINC000470283939 560978040 /nfs/dbraw/zinc/97/80/40/560978040.db2.gz OYZCMBWMCVUWJF-LJQANCHMSA-N 1 0 351.491 2.486 20 30 FEEDRO CC[N@H+](CCNC(=O)[C@@H]1CCCN(c2nc(C)ccc2C#N)C1)C(C)C ZINC000471968552 561015181 /nfs/dbraw/zinc/01/51/81/561015181.db2.gz OZNAARAXWRQRQB-GOSISDBHSA-N 1 0 357.502 2.325 20 30 FEEDRO Cc1ccc(C#N)c(N2CCC[C@H](C(=O)NCCC[N@@H+](C)C(C)C)C2)n1 ZINC000472027899 561016314 /nfs/dbraw/zinc/01/63/14/561016314.db2.gz BVBVWSMUKQWIIN-SFHVURJKSA-N 1 0 357.502 2.325 20 30 FEEDRO CC[NH+](CC)CCO[C@H]1CCN([C@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000472282558 561023073 /nfs/dbraw/zinc/02/30/73/561023073.db2.gz FTSARYSNAMXOCB-AEFFLSMTSA-N 1 0 358.486 2.318 20 30 FEEDRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)C1 ZINC000473308735 561047318 /nfs/dbraw/zinc/04/73/18/561047318.db2.gz RJRZYQIGVJJIQL-CQSZACIVSA-N 1 0 374.872 2.340 20 30 FEEDRO COc1ccc(C#N)cc1NC(=O)NC(C)(C)CC[NH+]1CCN(C)CC1 ZINC000473653915 561055118 /nfs/dbraw/zinc/05/51/18/561055118.db2.gz KBKIVPRQELCLLF-UHFFFAOYSA-N 1 0 359.474 2.104 20 30 FEEDRO C=C(C)COCCNC(=O)NCC1([NH+]2CCC(OC)CC2)CCCC1 ZINC000474813367 561083468 /nfs/dbraw/zinc/08/34/68/561083468.db2.gz WWTQMHRQAFEYMI-UHFFFAOYSA-N 1 0 353.507 2.302 20 30 FEEDRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)C[C@@H](CC#N)c2ccccc2)CC1 ZINC000475759413 561104495 /nfs/dbraw/zinc/10/44/95/561104495.db2.gz YLAURACRBZDFSU-GOSISDBHSA-N 1 0 370.497 2.133 20 30 FEEDRO C[NH+](C)CCCOC1CCN(S(=O)(=O)CC2(C#N)CCCCC2)CC1 ZINC000476324415 561116570 /nfs/dbraw/zinc/11/65/70/561116570.db2.gz FOMXVCNDVZECQD-UHFFFAOYSA-N 1 0 371.547 2.223 20 30 FEEDRO C=C(C)Cn1c(COCC)nnc1N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000528331546 562323034 /nfs/dbraw/zinc/32/30/34/562323034.db2.gz RURIJFHXUBCLBP-UHFFFAOYSA-N 1 0 363.506 2.082 20 30 FEEDRO O=C1c2ccccc2C(=O)N1CC#CCN1CCC[C@H]1C[NH+]1CCCCC1 ZINC000528371211 562325341 /nfs/dbraw/zinc/32/53/41/562325341.db2.gz GGTYMYZJSFVXMN-SFHVURJKSA-N 1 0 365.477 2.236 20 30 FEEDRO N#CC1(C[C@H](O)C[N@@H+]2C[C@H]3CCC[C@@]3(c3nc(CC4CC4)no3)C2)CC1 ZINC000528475475 562331246 /nfs/dbraw/zinc/33/12/46/562331246.db2.gz PCIDNCFZXDWOQP-GQIGUUNPSA-N 1 0 356.470 2.430 20 30 FEEDRO O=C1c2ccccc2C(=O)N1CC#CCN1CCC2(C1)Oc1ccccc1O2 ZINC000528503172 562332758 /nfs/dbraw/zinc/33/27/58/562332758.db2.gz IOLVLOUDAQFXBP-UHFFFAOYSA-N 1 0 374.396 2.159 20 30 FEEDRO O=C1c2ccccc2C(=O)N1CC#CC[NH+]1CCC(OC2CCC2)CC1 ZINC000528525684 562333975 /nfs/dbraw/zinc/33/39/75/562333975.db2.gz VYNZPRDWTYFITC-UHFFFAOYSA-N 1 0 352.434 2.320 20 30 FEEDRO N#Cc1ccccc1Oc1ccc(NC(=O)NC[C@@H]2COCC[NH2+]2)cc1 ZINC000528678777 562341397 /nfs/dbraw/zinc/34/13/97/562341397.db2.gz ZHJFWJHASBUFSA-MRXNPFEDSA-N 1 0 352.394 2.460 20 30 FEEDRO N#CC1(NC(=O)Cn2ccc(C(F)F)n2)CC[NH+](Cc2ccccc2)CC1 ZINC000528980099 562355185 /nfs/dbraw/zinc/35/51/85/562355185.db2.gz PNXYTUSYSZEZRL-UHFFFAOYSA-N 1 0 373.407 2.495 20 30 FEEDRO N#Cc1cnn(-c2ccc(C(=O)NC[C@H]3CC[N@@H+]3C3CCCC3)cc2)c1N ZINC000530023524 562394564 /nfs/dbraw/zinc/39/45/64/562394564.db2.gz FWYAIPLQODDZPR-GOSISDBHSA-N 1 0 364.453 2.073 20 30 FEEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000530026169 562395118 /nfs/dbraw/zinc/39/51/18/562395118.db2.gz AJXZIHUQEUGJMN-SFHVURJKSA-N 1 0 357.502 2.479 20 30 FEEDRO N#Cc1ccccc1OC[C@H](O)C[NH2+][C@@H]1CCN(c2ccccc2F)C1 ZINC000530233351 562403308 /nfs/dbraw/zinc/40/33/08/562403308.db2.gz IBOGZTQSZULVHJ-IAGOWNOFSA-N 1 0 355.413 2.306 20 30 FEEDRO N#Cc1ccccc1OC[C@H](O)C[NH2+][C@H]1CC[C@@H](C(=O)N2CCCCC2)C1 ZINC000530232741 562403335 /nfs/dbraw/zinc/40/33/35/562403335.db2.gz AWYMXNWYAICZKW-NZSAHSFTSA-N 1 0 371.481 2.069 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+]C[C@H]2CCN2C2CCCCC2)cc1 ZINC000530237455 562403482 /nfs/dbraw/zinc/40/34/82/562403482.db2.gz VTULOTRMHVVWNJ-GOSISDBHSA-N 1 0 361.511 2.329 20 30 FEEDRO C[C@H](N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)C(=O)NC1(C#N)CCC1 ZINC000530336768 562407425 /nfs/dbraw/zinc/40/74/25/562407425.db2.gz VFXZMKJDWOBHDL-JENIJYKNSA-N 1 0 354.498 2.438 20 30 FEEDRO C[C@@H]1CC[N@H+](CCNS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)C1 ZINC000530960691 562430069 /nfs/dbraw/zinc/43/00/69/562430069.db2.gz OZXCWZMSVDSXIB-LLVKDONJSA-N 1 0 361.389 2.197 20 30 FEEDRO CO[C@@H](C)C[N@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)C(C)C ZINC000532970476 562494114 /nfs/dbraw/zinc/49/41/14/562494114.db2.gz MXUOROFFVQGRSE-HNNXBMFYSA-N 1 0 355.442 2.428 20 30 FEEDRO COC(=O)CCC1CC[NH+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000533023283 562495961 /nfs/dbraw/zinc/49/59/61/562495961.db2.gz AJBCARZJCVBOSB-GOSISDBHSA-N 1 0 355.438 2.329 20 30 FEEDRO C[NH+]1CCC(C#N)(NC(=O)[C@@H]2COc3ccc(Br)cc32)CC1 ZINC000533943705 562521941 /nfs/dbraw/zinc/52/19/41/562521941.db2.gz JCFZFQFMDMINHI-CYBMUJFWSA-N 1 0 364.243 2.029 20 30 FEEDRO N#Cc1ccsc1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000534917939 562545191 /nfs/dbraw/zinc/54/51/91/562545191.db2.gz YGIHJEKFWPRLEU-IRXDYDNUSA-N 1 0 355.463 2.233 20 30 FEEDRO C[NH+]1CCC([C@H]2CCN(S(=O)(=O)c3ccc(C#N)cc3F)C2)CC1 ZINC000535147908 562552035 /nfs/dbraw/zinc/55/20/35/562552035.db2.gz LDBPXAZFIDCWQB-HNNXBMFYSA-N 1 0 351.447 2.050 20 30 FEEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH+]2CCC(OCCO)CC2)c1 ZINC000535245766 562553848 /nfs/dbraw/zinc/55/38/48/562553848.db2.gz GFVUPNULILKXRG-SFHVURJKSA-N 1 0 373.497 2.412 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cc(C)n(-c3nc(C)cc(C)n3)n2)CC1 ZINC000535723731 562565508 /nfs/dbraw/zinc/56/55/08/562565508.db2.gz PEYDDUFKQSMNQC-UHFFFAOYSA-N 1 0 368.485 2.358 20 30 FEEDRO C[N@H+](CC1CC1)C[C@H]1CCN(S(=O)(=O)Cc2cc(C#N)ccc2F)C1 ZINC000536587459 562579847 /nfs/dbraw/zinc/57/98/47/562579847.db2.gz GWVVOYJXHWMDMC-MRXNPFEDSA-N 1 0 365.474 2.191 20 30 FEEDRO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(-n2ccnn2)cc1 ZINC000537127562 562586161 /nfs/dbraw/zinc/58/61/61/562586161.db2.gz VSSYOZIMFUDORX-DOXZYTNZSA-N 1 0 354.458 2.361 20 30 FEEDRO CC(C)(C#N)CC[NH+]1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1 ZINC000537365691 562590011 /nfs/dbraw/zinc/59/00/11/562590011.db2.gz CBBAPFHGECZGKF-UHFFFAOYSA-N 1 0 355.426 2.215 20 30 FEEDRO CN(C)c1nccc(C[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3F)C2)n1 ZINC000541164207 562604777 /nfs/dbraw/zinc/60/47/77/562604777.db2.gz ZWYHJINBRFWFNG-MRXNPFEDSA-N 1 0 354.433 2.312 20 30 FEEDRO COc1cc(C#N)ccc1NC(=O)C(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000546002674 562632461 /nfs/dbraw/zinc/63/24/61/562632461.db2.gz OOLGWSVKWQRCKC-KRWDZBQOSA-N 1 0 372.469 2.132 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccccc2CCSC)CC1 ZINC000602025395 567903484 /nfs/dbraw/zinc/90/34/84/567903484.db2.gz BMIIZBFVGDVMOT-UHFFFAOYSA-N 1 0 361.511 2.297 20 30 FEEDRO N#CCCN1CCN(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)CC1 ZINC000602223313 567957049 /nfs/dbraw/zinc/95/70/49/567957049.db2.gz OFVPFQKZTHLUIJ-IBGZPJMESA-N 1 0 355.486 2.064 20 30 FEEDRO N#CCCN1CCN(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)CC1 ZINC000602224099 567957143 /nfs/dbraw/zinc/95/71/43/567957143.db2.gz CUCIYGBBDPHWCF-MRXNPFEDSA-N 1 0 361.515 2.126 20 30 FEEDRO CC(C)CS(=O)(=O)N1CCC([NH2+][C@@H](C)CC2(C#N)CCOCC2)CC1 ZINC000602584516 567994159 /nfs/dbraw/zinc/99/41/59/567994159.db2.gz DJEYAFQIBJGVAO-INIZCTEOSA-N 1 0 371.547 2.125 20 30 FEEDRO COc1cccc(C2(NC(=O)[C@@H]([NH3+])CCCCC#N)CCOCC2)c1F ZINC000602605134 567997038 /nfs/dbraw/zinc/99/70/38/567997038.db2.gz UWDLBYVLNPICGY-HNNXBMFYSA-N 1 0 363.433 2.367 20 30 FEEDRO C[C@@H]1C[NH+](C[C@H](O)COc2cccc(C(F)(F)F)c2)C[C@@H](C)N1CC#N ZINC000602854520 568002019 /nfs/dbraw/zinc/00/20/19/568002019.db2.gz CKZNTDQFEQVXLO-FMKPAKJESA-N 1 0 371.403 2.363 20 30 FEEDRO C[C@@H]1C[N@@H+](C[C@H](O)COc2cccc(C(F)(F)F)c2)C[C@H](C)N1CC#N ZINC000602854526 568002059 /nfs/dbraw/zinc/00/20/59/568002059.db2.gz CKZNTDQFEQVXLO-LZWOXQAQSA-N 1 0 371.403 2.363 20 30 FEEDRO C[C@H]1C[NH+](CCCCCn2nnc(-c3ccccc3)n2)C[C@H](C)N1CC#N ZINC000602858809 568003079 /nfs/dbraw/zinc/00/30/79/568003079.db2.gz VHVBZZZFDYVOKJ-ROUUACIJSA-N 1 0 367.501 2.429 20 30 FEEDRO Cc1cc(C)c(CCNC(=O)CN2C[C@@H](C)N(CC#N)[C@@H](C)C2)c(C)c1 ZINC000602867146 568008391 /nfs/dbraw/zinc/00/83/91/568008391.db2.gz XNPXMNHLEJVYRY-KDURUIRLSA-N 1 0 356.514 2.189 20 30 FEEDRO COc1ccc(C[C@@H](CO)C[NH2+][C@H](C)CC2(C#N)CCOCC2)cc1O ZINC000602661552 568012584 /nfs/dbraw/zinc/01/25/84/568012584.db2.gz FBPGVTSSDDBNSA-NVXWUHKLSA-N 1 0 362.470 2.240 20 30 FEEDRO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)n1cc(CC[NH+](C)C)nn1 ZINC000603199521 568072919 /nfs/dbraw/zinc/07/29/19/568072919.db2.gz SRWSDVNNJABUGP-CQSZACIVSA-N 1 0 358.421 2.029 20 30 FEEDRO Cc1nccc([C@@H]2CCC[N@H+](C[C@@H](O)COc3ccc(CC#N)cc3)C2)n1 ZINC000603834464 568158801 /nfs/dbraw/zinc/15/88/01/568158801.db2.gz VARWMHPXYCRZHT-RTBURBONSA-N 1 0 366.465 2.470 20 30 FEEDRO Cc1nsc(N2CCN(C(=O)NCc3cc(C)nc(C)c3)CC2)c1C#N ZINC000569682768 568418918 /nfs/dbraw/zinc/41/89/18/568418918.db2.gz LGSOOKKUKGJISK-UHFFFAOYSA-N 1 0 370.482 2.367 20 30 FEEDRO COCCOc1cc(C)ccc1CNCc1cnc2c(C#N)cnn2c1 ZINC000584721723 568516972 /nfs/dbraw/zinc/51/69/72/568516972.db2.gz WMNYGLYWQZSZGC-UHFFFAOYSA-N 1 0 351.410 2.224 20 30 FEEDRO COc1cc(C#N)ccc1OCC[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000737035274 598983157 /nfs/dbraw/zinc/98/31/57/598983157.db2.gz PZKXELVOEYWSHN-UHFFFAOYSA-N 1 0 364.409 2.258 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)CC1 ZINC000735425817 598391945 /nfs/dbraw/zinc/39/19/45/598391945.db2.gz IDCPGVAYGSFFCA-UHFFFAOYSA-N 1 0 361.837 2.292 20 30 FEEDRO Fc1ccc(N=NC2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)nc1 ZINC000737656038 598547048 /nfs/dbraw/zinc/54/70/48/598547048.db2.gz GPJLTMYINOXPDN-UHFFFAOYSA-N 1 0 366.404 2.465 20 30 FEEDRO CC[N@H+](CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2)C[C@@H](C)C#N ZINC000736533586 598759978 /nfs/dbraw/zinc/75/99/78/598759978.db2.gz ACYMMJAJAQDRJQ-NSHDSACASA-N 1 0 373.486 2.227 20 30 FEEDRO C[C@@H](c1ccc(C#N)cc1)[NH+]1CCN(c2cc(-c3nn[nH]n3)ccn2)CC1 ZINC000736199407 599309799 /nfs/dbraw/zinc/30/97/99/599309799.db2.gz OGKKDTYKCYNCPI-AWEZNQCLSA-N 1 0 360.425 2.017 20 30 FEEDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000557853557 674471276 /nfs/dbraw/zinc/47/12/76/674471276.db2.gz AKWDAKMMWSOZJA-LRDDRELGSA-N 1 0 353.875 2.459 20 30 FEEDRO O=C(NC[C@H]1CCC[N@@H+](CCOCC(F)(F)C(F)F)C1)C(F)(F)F ZINC000810068167 674529243 /nfs/dbraw/zinc/52/92/43/674529243.db2.gz JOTNWFAYKKIGCB-SECBINFHSA-N 1 0 368.293 2.294 20 30 FEEDRO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCC[C@H](CNC(=O)C(F)(F)F)C1 ZINC000810070662 674529532 /nfs/dbraw/zinc/52/95/32/674529532.db2.gz RQZJAVLZAGBMFH-ZIAGYGMSSA-N 1 0 363.424 2.190 20 30 FEEDRO CC(C)[C@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)C1(CO)CCC1 ZINC000559439584 674542962 /nfs/dbraw/zinc/54/29/62/674542962.db2.gz YCBWTAZTCNMRNQ-KRWDZBQOSA-N 1 0 350.484 2.109 20 30 FEEDRO Cn1cc(C[NH2+]Cc2cccc(C#N)c2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361685 609337741 /nfs/dbraw/zinc/33/77/41/609337741.db2.gz JDXYIFCJFOMQEQ-UHFFFAOYSA-N 1 0 370.420 2.429 20 30 FEEDRO Cc1ccc(CC(=O)NC2(C#N)CC[NH+](C)CC2)c(Br)c1 ZINC000560079961 674567283 /nfs/dbraw/zinc/56/72/83/674567283.db2.gz QFBFAWVDKOJUKA-UHFFFAOYSA-N 1 0 350.260 2.404 20 30 FEEDRO CCS(=O)(=O)c1ccc([C@H](C)[NH2+][C@H](C)C(=O)NC2(C#N)CCC2)cc1 ZINC000560175160 674570891 /nfs/dbraw/zinc/57/08/91/674570891.db2.gz PGSKBRNVBGZYQW-UONOGXRCSA-N 1 0 363.483 2.082 20 30 FEEDRO COCC[NH+](CCOC)C1CCN(c2nccc(C#N)c2Cl)CC1 ZINC000561394829 674662551 /nfs/dbraw/zinc/66/25/51/674662551.db2.gz OLVAFJCUWDMKJY-UHFFFAOYSA-N 1 0 352.866 2.170 20 30 FEEDRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]CCC(=O)Nc3sccc3C#N)[C@H]2C1 ZINC000561787911 674699716 /nfs/dbraw/zinc/69/97/16/674699716.db2.gz QBGPNUHCRIEKKN-JYJNAYRXSA-N 1 0 360.483 2.185 20 30 FEEDRO CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CCC(=O)Nc3sccc3C#N)[C@H]2C1 ZINC000561787908 674699522 /nfs/dbraw/zinc/69/95/22/674699522.db2.gz QBGPNUHCRIEKKN-HRCADAONSA-N 1 0 360.483 2.185 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N(C)[C@H]1CC(C)(C)OC1=O)C(C)C ZINC000813582095 674760381 /nfs/dbraw/zinc/76/03/81/674760381.db2.gz FOPGPVFNHYZDQX-HOTGVXAUSA-N 1 0 351.491 2.421 20 30 FEEDRO C=C(C)[C@H](NC(=O)C(=O)NCCC[NH2+]C(C)C)c1ccc(F)c(F)c1 ZINC000562825792 674813931 /nfs/dbraw/zinc/81/39/31/674813931.db2.gz YWMGEGGITJDKIF-INIZCTEOSA-N 1 0 353.413 2.203 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N2CCSC3(CCCCC3)C2)CC1 ZINC000562869617 674817669 /nfs/dbraw/zinc/81/76/69/674817669.db2.gz RVJCJTWPILEBET-UHFFFAOYSA-N 1 0 365.543 2.031 20 30 FEEDRO C#CCNC(=O)CC[NH2+][C@@H](C)c1cc2c(cc1Br)OCCO2 ZINC000815081341 674913300 /nfs/dbraw/zinc/91/33/00/674913300.db2.gz ABGMKSOJJVGGEY-NSHDSACASA-N 1 0 367.243 2.010 20 30 FEEDRO C#CC[N@H+](C)CCCNS(=O)(=O)c1cc(C)c(Br)cc1C ZINC000815082152 674913977 /nfs/dbraw/zinc/91/39/77/674913977.db2.gz BPPNTAXNBYRLJB-UHFFFAOYSA-N 1 0 373.316 2.299 20 30 FEEDRO CC(C)OC(=O)CC[C@H](C)[NH2+]CCS(=O)(=O)c1cccc(C#N)c1 ZINC000564076851 674970645 /nfs/dbraw/zinc/97/06/45/674970645.db2.gz RWTZYNOZVJLEPA-AWEZNQCLSA-N 1 0 352.456 2.042 20 30 FEEDRO CCN(CCC[NH2+]Cc1ccc(C#N)cc1C(F)(F)F)S(C)(=O)=O ZINC000564416731 675015190 /nfs/dbraw/zinc/01/51/90/675015190.db2.gz DJQLOKGZFUETJD-UHFFFAOYSA-N 1 0 363.405 2.338 20 30 FEEDRO C=CC[N@@H+](C[C@H]1CCCN(C(=O)CNC(=O)OC(C)(C)C)C1)C1CC1 ZINC000816568839 675065704 /nfs/dbraw/zinc/06/57/04/675065704.db2.gz ROTYKOPQINKQDT-OAHLLOKOSA-N 1 0 351.491 2.400 20 30 FEEDRO Cc1cc(C(=O)C(C(=S)NC2CC2)[n+]2cccc(CO)c2)c(C)n1C ZINC000022688508 670043284 /nfs/dbraw/zinc/04/32/84/670043284.db2.gz HAYGOCSROFBHEU-UHFFFAOYSA-O 1 0 358.487 2.113 20 30 FEEDRO C#CC[N@H+](C)CCCNS(=O)(=O)c1cc(Cl)ccc1OC(F)F ZINC000817140595 675103422 /nfs/dbraw/zinc/10/34/22/675103422.db2.gz BWOTYXNRLQMQKL-UHFFFAOYSA-N 1 0 366.817 2.175 20 30 FEEDRO Cc1ccc(Cl)cc1N1CC[C@H](C[NH2+]C[C@H](O)CN(C)CCC#N)C1 ZINC000565475831 675124734 /nfs/dbraw/zinc/12/47/34/675124734.db2.gz GGUWYIZGRUCOLY-AEFFLSMTSA-N 1 0 364.921 2.271 20 30 FEEDRO C#CCOc1ccc(Br)cc1C[NH2+][C@@H]1CCC(=O)N(C)C1 ZINC000084060236 670664231 /nfs/dbraw/zinc/66/42/31/670664231.db2.gz NJMQDEIRSUIGRE-CQSZACIVSA-N 1 0 351.244 2.172 20 30 FEEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CS(=O)(=O)c3ccccc3O1)CC2 ZINC000570395673 670707565 /nfs/dbraw/zinc/70/75/65/670707565.db2.gz NRCDLOSQAOLZPD-DOTOQJQBSA-N 1 0 354.431 2.370 20 30 FEEDRO C=C(Br)CNC(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000105196681 670799018 /nfs/dbraw/zinc/79/90/18/670799018.db2.gz UPRBLJFTWHFOPG-GASCZTMLSA-N 1 0 373.339 2.095 20 30 FEEDRO NC(C[NH+]1CCCCCC1)=NOCC(=O)NCc1cccc(Cl)c1 ZINC000106437824 670811838 /nfs/dbraw/zinc/81/18/38/670811838.db2.gz VKNRRJNXKJJDEM-UHFFFAOYSA-N 1 0 352.866 2.121 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1nc2cc(S(=O)(=O)CC)ccc2o1 ZINC000573674107 671150322 /nfs/dbraw/zinc/15/03/22/671150322.db2.gz ZSPKAFIHIHWGRY-HIFRSBDPSA-N 1 0 350.440 2.445 20 30 FEEDRO C[NH+](C)CCN(Cc1cccc(F)c1)S(=O)(=O)CCC(C)(C)C#N ZINC000574201346 671214345 /nfs/dbraw/zinc/21/43/45/671214345.db2.gz PMIHFAUULSUMPC-UHFFFAOYSA-N 1 0 355.479 2.459 20 30 FEEDRO C[C@H](CN1C[C@H](C)C[C@H](C)C1)[NH2+]CCS(=O)(=O)c1cccc(C#N)c1 ZINC000566110044 675181806 /nfs/dbraw/zinc/18/18/06/675181806.db2.gz WVLPKKOEKUJRGU-IXDOHACOSA-N 1 0 363.527 2.288 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@H]2COc3ccc(F)cc3C2)cc1 ZINC000574394619 671235028 /nfs/dbraw/zinc/23/50/28/671235028.db2.gz JWBCQUAOAOYRAH-MRXNPFEDSA-N 1 0 360.410 2.064 20 30 FEEDRO CN(CCC#N)C[C@@H](O)C[NH2+][C@@H]1C[C@H]1c1ccccc1Br ZINC000574750905 671274544 /nfs/dbraw/zinc/27/45/44/671274544.db2.gz KLXZCHHYSXGFJT-DUVNUKRYSA-N 1 0 352.276 2.101 20 30 FEEDRO CCN(CCC#N)S(=O)(=O)NC[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000575129581 671300158 /nfs/dbraw/zinc/30/01/58/671300158.db2.gz VAQIBKJDTMYIFU-HNNXBMFYSA-N 1 0 372.922 2.055 20 30 FEEDRO N#Cc1c(Br)cccc1S(=O)(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000566228442 675196176 /nfs/dbraw/zinc/19/61/76/675196176.db2.gz SKKUJKNJTRNGGF-LLVKDONJSA-N 1 0 372.288 2.070 20 30 FEEDRO N#Cc1cc(Br)cc(S(=O)(=O)NC[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000566224480 675195653 /nfs/dbraw/zinc/19/56/53/675195653.db2.gz OIBCZEXCFNDDLK-GWCFXTLKSA-N 1 0 372.288 2.117 20 30 FEEDRO N#Cc1c(Br)cccc1S(=O)(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000577632434 671610005 /nfs/dbraw/zinc/61/00/05/671610005.db2.gz MASXXRGWPHQNGW-GWCFXTLKSA-N 1 0 372.288 2.117 20 30 FEEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000609403379 675921436 /nfs/dbraw/zinc/92/14/36/675921436.db2.gz QVGOIDAMISIKAR-ZIAGYGMSSA-N 1 0 360.483 2.087 20 30 FEEDRO N#Cc1c(Br)cccc1S(=O)(=O)N1CCCC[C@H]1CC[NH3+] ZINC000578442777 671665990 /nfs/dbraw/zinc/66/59/90/671665990.db2.gz HXTBKOGZXJJARB-NSHDSACASA-N 1 0 372.288 2.213 20 30 FEEDRO C[C@H]1C[C@H](NS(=O)(=O)c2cccc(Br)c2C#N)CC[N@@H+]1C ZINC000578460579 671667082 /nfs/dbraw/zinc/66/70/82/671667082.db2.gz SKXGGJLOCKDQNY-WDEREUQCSA-N 1 0 372.288 2.082 20 30 FEEDRO C[C@@H]1C[C@@H](NS(=O)(=O)c2cccc(Br)c2C#N)CC[N@@H+]1C ZINC000578460577 671667111 /nfs/dbraw/zinc/66/71/11/671667111.db2.gz SKXGGJLOCKDQNY-MNOVXSKESA-N 1 0 372.288 2.082 20 30 FEEDRO CN(CCC#N)C[C@H](O)C[NH2+][C@@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000578981659 671703682 /nfs/dbraw/zinc/70/36/82/671703682.db2.gz RLIVZCCZPPOOOP-HUUCEWRRSA-N 1 0 371.312 2.368 20 30 FEEDRO Cc1csc(NC2CC[NH+](C[C@@H]3CNc4c(C#N)cnn4C3)CC2)n1 ZINC000579474552 671738724 /nfs/dbraw/zinc/73/87/24/671738724.db2.gz DNEJVKVNAOKSNG-ZDUSSCGKSA-N 1 0 357.487 2.138 20 30 FEEDRO CC(C)OC(=O)CC[C@H](C)[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000581484660 671902271 /nfs/dbraw/zinc/90/22/71/671902271.db2.gz XDNNEUOTXLNICL-AWEZNQCLSA-N 1 0 352.456 2.042 20 30 FEEDRO C#CCCOc1ccc(C[NH2+]CCNS(=O)(=O)c2cccs2)cc1 ZINC000122156606 671963066 /nfs/dbraw/zinc/96/30/66/671963066.db2.gz CRUCLQKOEGGNJR-UHFFFAOYSA-N 1 0 364.492 2.218 20 30 FEEDRO C=CCn1c(-c2cnccn2)nn(CN(C)CC2CCOCC2)c1=S ZINC000124660273 672000682 /nfs/dbraw/zinc/00/06/82/672000682.db2.gz RYKJLAYJFFFVKZ-UHFFFAOYSA-N 1 0 360.487 2.373 20 30 FEEDRO C[N@H+](CCOCc1ccc(C#N)cc1)Cc1cc(=O)n2ccsc2n1 ZINC000582809620 672035737 /nfs/dbraw/zinc/03/57/37/672035737.db2.gz XFWQIPVMGWUNCN-UHFFFAOYSA-N 1 0 354.435 2.276 20 30 FEEDRO C=CCN1C(=S)N=NC1c1sc(NC(=O)C[C@H]2CC[NH2+]C2)nc1C ZINC000127969315 672043775 /nfs/dbraw/zinc/04/37/75/672043775.db2.gz PUROFNRYVUHTRJ-SNVBAGLBSA-N 1 0 364.500 2.123 20 30 FEEDRO Cc1nc(CNC2=[NH+]C[C@@H]3CN(C(=O)OC(C)(C)C)CCN23)sc1C ZINC000133986494 672117823 /nfs/dbraw/zinc/11/78/23/672117823.db2.gz IXLXLBZUUKCPGD-CYBMUJFWSA-N 1 0 365.503 2.140 20 30 FEEDRO C#CCOCCC(=O)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000151917878 672171607 /nfs/dbraw/zinc/17/16/07/672171607.db2.gz UYNRXCFUHURKPG-INIZCTEOSA-N 1 0 354.372 2.436 20 30 FEEDRO C[C@@H]1CN(S(=O)(=O)Cc2cc(C#N)ccc2F)CC[N@@H+](C2CCC2)C1 ZINC000584756267 672212690 /nfs/dbraw/zinc/21/26/90/672212690.db2.gz TZVDYTZXSATDSY-AWEZNQCLSA-N 1 0 365.474 2.333 20 30 FEEDRO N#Cc1csc(C[NH2+]CC2CCN(S(=O)(=O)C(F)(F)F)CC2)c1 ZINC000177699705 672385485 /nfs/dbraw/zinc/38/54/85/672385485.db2.gz RBSSYSHOQWCZSL-UHFFFAOYSA-N 1 0 367.418 2.271 20 30 FEEDRO Cc1cnc(CON=C(N)c2ccccc2C[NH+]2CCC(O)CC2)s1 ZINC000179905383 672406894 /nfs/dbraw/zinc/40/68/94/672406894.db2.gz CBYCYPCMNIKQAV-UHFFFAOYSA-N 1 0 360.483 2.245 20 30 FEEDRO CN(CCCC[NH+](C)C)S(=O)(=O)c1cccc(Br)c1C#N ZINC000588117725 672450782 /nfs/dbraw/zinc/45/07/82/672450782.db2.gz YMDAHTBPCWKFNX-UHFFFAOYSA-N 1 0 374.304 2.283 20 30 FEEDRO CC[C@@H](C#N)Oc1cc(C[NH2+][C@@H](C)CS(=O)(=O)CC)ccc1OC ZINC000183257075 672464049 /nfs/dbraw/zinc/46/40/49/672464049.db2.gz PODMCFRJLKTYPT-ZFWWWQNUSA-N 1 0 354.472 2.289 20 30 FEEDRO CC[C@@H](C#N)Oc1cc(C[NH2+][C@H](C)CS(=O)(=O)CC)ccc1OC ZINC000183257110 672464069 /nfs/dbraw/zinc/46/40/69/672464069.db2.gz PODMCFRJLKTYPT-HIFRSBDPSA-N 1 0 354.472 2.289 20 30 FEEDRO N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CC[C@@H](n3cc(Cl)cn3)C2)cc1 ZINC000589309743 672521336 /nfs/dbraw/zinc/52/13/36/672521336.db2.gz FQAVLTFGLLFRPS-SJORKVTESA-N 1 0 360.845 2.289 20 30 FEEDRO N#Cc1c(Br)cccc1N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000589569675 672531895 /nfs/dbraw/zinc/53/18/95/672531895.db2.gz NLAXYQOGNWIJAY-CVEARBPZSA-N 1 0 350.260 2.356 20 30 FEEDRO N#Cc1ccc(Cl)c(NC(=O)C(=O)N2CCC3(CC[NH2+]CC3)CC2)c1 ZINC000591304468 672667703 /nfs/dbraw/zinc/66/77/03/672667703.db2.gz GLFVQZHHGOOEFP-UHFFFAOYSA-N 1 0 360.845 2.142 20 30 FEEDRO N#CCN1CCC([NH2+]C[C@@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000591736304 672706741 /nfs/dbraw/zinc/70/67/41/672706741.db2.gz OHTHDTJZRRXSAN-CQSZACIVSA-N 1 0 358.269 2.311 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+]C2CCC(OC(F)F)CC2)cc1 ZINC000591770668 672709768 /nfs/dbraw/zinc/70/97/68/672709768.db2.gz ZPHMDFYXPXCFAM-UHFFFAOYSA-N 1 0 358.410 2.472 20 30 FEEDRO CSc1ccc([C@H](CNC(=O)N2CC[C@@](O)(CC#N)C2)[NH+](C)C)cc1 ZINC000592026537 672735882 /nfs/dbraw/zinc/73/58/82/672735882.db2.gz AWOZIJNOPKIAIR-WMZOPIPTSA-N 1 0 362.499 2.071 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N(C2CC2)C2CC[NH2+]CC2)cc1C(F)(F)F ZINC000592365375 672792171 /nfs/dbraw/zinc/79/21/71/672792171.db2.gz QNTGHMGYVWGPKY-UHFFFAOYSA-N 1 0 373.400 2.482 20 30 FEEDRO C=C(Br)CNC(N[C@@H]1CCC[C@H]([S@](=O)CC)C1)=[NH+]C ZINC000245693109 672823299 /nfs/dbraw/zinc/82/32/99/672823299.db2.gz JYUXTKPQOVYPDO-UYSIFFEZSA-N 1 0 350.326 2.140 20 30 FEEDRO C[NH+]=C(NCc1cc(Cl)c2c(c1)OCCO2)N(C)C[C@H]1CCOC1 ZINC000261697713 672901654 /nfs/dbraw/zinc/90/16/54/672901654.db2.gz SQUQDTNEAKJABW-GFCCVEGCSA-N 1 0 353.850 2.155 20 30 FEEDRO C[NH+]=C(NC[C@](C)(O)c1ccsc1)N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000261778131 672903246 /nfs/dbraw/zinc/90/32/46/672903246.db2.gz PUJRDVMCECUUIW-LHHMISFZSA-N 1 0 363.527 2.468 20 30 FEEDRO CC[NH+]=C(NCc1c[nH]nc1C)N[C@@H]1CCN(c2ncccc2Cl)C1 ZINC000261949346 672905893 /nfs/dbraw/zinc/90/58/93/672905893.db2.gz GVFGLWTZNWJCQT-CQSZACIVSA-N 1 0 361.881 2.101 20 30 FEEDRO [NH2+]=C(NC[C@@H](c1ccc(Cl)cc1)N1CCOCC1)N1CCSCC1 ZINC000261995631 672906744 /nfs/dbraw/zinc/90/67/44/672906744.db2.gz NPDSDQQSEPDHDV-INIZCTEOSA-N 1 0 368.934 2.077 20 30 FEEDRO C[NH+]=C(NCc1nnc2ccc(C(F)(F)F)cn21)NC[C@@H]1CCCS1 ZINC000262005851 672907454 /nfs/dbraw/zinc/90/74/54/672907454.db2.gz VOEYTPMVGBZKAY-NSHDSACASA-N 1 0 372.420 2.309 20 30 FEEDRO CC[C@@H]1CN(C(NCc2cccs2)=[NH+]CC(=O)N(C)C)CCS1 ZINC000262250228 672911927 /nfs/dbraw/zinc/91/19/27/672911927.db2.gz BVBDILHQTSQXCY-CYBMUJFWSA-N 1 0 354.545 2.109 20 30 FEEDRO CC(C)(C)[S@](=O)CCNC(=[NH2+])N1CCN(c2ccc(Cl)cc2)CC1 ZINC000262552489 672918030 /nfs/dbraw/zinc/91/80/30/672918030.db2.gz ZDOANBUOYWVGGB-XMMPIXPASA-N 1 0 370.950 2.324 20 30 FEEDRO CCc1ccc(NC(=[NH2+])NC[C@H]2CCCC[C@@H]2NS(C)(=O)=O)cc1 ZINC000262662358 672918621 /nfs/dbraw/zinc/91/86/21/672918621.db2.gz NFSCBGFUNAQQSV-ZBFHGGJFSA-N 1 0 352.504 2.084 20 30 FEEDRO CN1CC[NH+]=C1NC[C@H](c1ccc(Cl)cc1)N1CCOC(C)(C)C1 ZINC000262678382 672919144 /nfs/dbraw/zinc/91/91/44/672919144.db2.gz UWSNRRWUMZGDKP-MRXNPFEDSA-N 1 0 350.894 2.383 20 30 FEEDRO C[NH+]=C(NCc1csc(Br)c1)N[C@H]1CCN(C2CC2)C1 ZINC000262691906 672919283 /nfs/dbraw/zinc/91/92/83/672919283.db2.gz ADMRHZYCJDBYTG-NSHDSACASA-N 1 0 357.321 2.412 20 30 FEEDRO C[S@@](=O)C1(CNC(=[NH2+])N2CCN(c3ccc(Cl)cc3)CC2)CCC1 ZINC000262800705 672921221 /nfs/dbraw/zinc/92/12/21/672921221.db2.gz MLQSNFAYECCGIA-XMMPIXPASA-N 1 0 368.934 2.078 20 30 FEEDRO CC[NH+]=C(NC[C@]1(N2CCOCC2)CCSC1)NC1CCCCC1 ZINC000263108248 672927806 /nfs/dbraw/zinc/92/78/06/672927806.db2.gz DDMDUAHJICMGMS-GOSISDBHSA-N 1 0 354.564 2.082 20 30 FEEDRO C=CC[C@H]1CC[C@H]([NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000593591483 672952878 /nfs/dbraw/zinc/95/28/78/672952878.db2.gz JTRUOARAVZPGKB-KBPBESRZSA-N 1 0 353.444 2.208 20 30 FEEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000593591486 672952929 /nfs/dbraw/zinc/95/29/29/672952929.db2.gz JTRUOARAVZPGKB-ZIAGYGMSSA-N 1 0 353.444 2.208 20 30 FEEDRO CC[N@H+](CCCNS(=O)(=O)c1cncc(C#N)c1)C1CCCCC1 ZINC000593626838 672962148 /nfs/dbraw/zinc/96/21/48/672962148.db2.gz GRYZUKJGBLYQIF-UHFFFAOYSA-N 1 0 350.488 2.276 20 30 FEEDRO COc1ccc(CNC(=[NH2+])NCc2ccc([S@](C)=O)cc2)cc1OC ZINC000304778419 673020569 /nfs/dbraw/zinc/02/05/69/673020569.db2.gz JLLSUQDNUSNYBR-VWLOTQADSA-N 1 0 361.467 2.046 20 30 FEEDRO CC(C)(C)OC(=O)N[C@@H](CNC(=[NH2+])NCCc1cccs1)C1CC1 ZINC000305752317 673021730 /nfs/dbraw/zinc/02/17/30/673021730.db2.gz SLSRZRBNOAJEEP-AWEZNQCLSA-N 1 0 352.504 2.498 20 30 FEEDRO C[N@@H+]1CCN(C(=O)Cc2ccc(Br)cc2C#N)CC1(C)C ZINC000594356754 673062498 /nfs/dbraw/zinc/06/24/98/673062498.db2.gz PABSRXUDBKYVCT-UHFFFAOYSA-N 1 0 350.260 2.416 20 30 FEEDRO C[N@H+](CCNC(=O)N1CCC[C@@H](C(=O)N2CCCC2)C1)C1CCCC1 ZINC000329435224 673077440 /nfs/dbraw/zinc/07/74/40/673077440.db2.gz JNQXISAKNXVYAO-MRXNPFEDSA-N 1 0 350.507 2.109 20 30 FEEDRO C[NH+]1CCN(CCCNC(=S)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000726446782 673122490 /nfs/dbraw/zinc/12/24/90/673122490.db2.gz JHVRHPWMSZJFNN-UHFFFAOYSA-N 1 0 351.907 2.136 20 30 FEEDRO O=C(NCC#Cc1cccc(C(F)(F)F)c1)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612961702 676104434 /nfs/dbraw/zinc/10/44/34/676104434.db2.gz ASNVNFHNHKUSFY-OAHLLOKOSA-N 1 0 351.372 2.498 20 30 FEEDRO N#CCN1CCC([NH2+]Cc2cc(Br)cc3c2OCC3)CC1 ZINC000613171069 676115652 /nfs/dbraw/zinc/11/56/52/676115652.db2.gz KUGNNXDWVQLXNB-UHFFFAOYSA-N 1 0 350.260 2.462 20 30 FEEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCC[C@@H](C)[NH+](C)C ZINC000595126467 673198351 /nfs/dbraw/zinc/19/83/51/673198351.db2.gz YGAJDMUJSWLSPJ-ZIAGYGMSSA-N 1 0 362.499 2.476 20 30 FEEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCC1([NH3+])CCCC1 ZINC000595238320 673212681 /nfs/dbraw/zinc/21/26/81/673212681.db2.gz RSRYDFLFOSJAGY-ZDUSSCGKSA-N 1 0 360.483 2.407 20 30 FEEDRO N#Cc1cc(S(=O)(=O)NC[C@H]2CCC[N@H+](CC3CC3)C2)ccc1F ZINC000595411109 673245858 /nfs/dbraw/zinc/24/58/58/673245858.db2.gz NWJDWFFWORCFCR-CQSZACIVSA-N 1 0 351.447 2.098 20 30 FEEDRO C#CC[N@H+]1CCC[C@@H]1COC(=O)CCn1c(=O)oc2cc(Cl)ccc21 ZINC000729810391 673249303 /nfs/dbraw/zinc/24/93/03/673249303.db2.gz WWURMTZWWANUJE-CQSZACIVSA-N 1 0 362.813 2.279 20 30 FEEDRO CC(C)[N@H+](C)C[C@H](O)CN1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC000595463982 673254274 /nfs/dbraw/zinc/25/42/74/673254274.db2.gz FCWGSLYBXKOITO-RBUKOAKNSA-N 1 0 364.921 2.223 20 30 FEEDRO C[C@@H](NC(=O)N1CCN(c2ccsc2C#N)CC1)C(C)(C)C[NH+](C)C ZINC000595553852 673265446 /nfs/dbraw/zinc/26/54/46/673265446.db2.gz OVHKMBMNSFWXJK-CQSZACIVSA-N 1 0 363.531 2.428 20 30 FEEDRO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000595608821 673273474 /nfs/dbraw/zinc/27/34/74/673273474.db2.gz XAMKAGZACPDVQI-CHWSQXEVSA-N 1 0 358.833 2.152 20 30 FEEDRO C=CCNC(=O)NC(=O)C[NH2+][C@@]1(Cc2ccc(Cl)cc2)CCCOC1 ZINC000595670306 673281350 /nfs/dbraw/zinc/28/13/50/673281350.db2.gz BCVIFONXTFHJME-GOSISDBHSA-N 1 0 365.861 2.033 20 30 FEEDRO c1cc2c(ccnc2N=NC2CC[NH+](CCN3CCOCC3)CC2)s1 ZINC000731558154 673334020 /nfs/dbraw/zinc/33/40/20/673334020.db2.gz KIQWWKJOHUAZBD-UHFFFAOYSA-N 1 0 359.499 2.492 20 30 FEEDRO N#Cc1sccc1N1CCN(C(=O)[C@H]2[NH2+]CCc3ccccc32)CC1 ZINC000595959835 673343684 /nfs/dbraw/zinc/34/36/84/673343684.db2.gz HCSCYUAXUQQYLJ-SFHVURJKSA-N 1 0 352.463 2.155 20 30 FEEDRO COc1cc(C=NNC(=S)NCCC[NH+](C)C)ccc1OC(F)F ZINC000731930532 673348627 /nfs/dbraw/zinc/34/86/27/673348627.db2.gz ASOMMAWFFIROIF-UHFFFAOYSA-N 1 0 360.430 2.046 20 30 FEEDRO C[NH+]1CCN(c2cc(-c3noc(-c4ccc(C#N)s4)n3)ccn2)CC1 ZINC000596603373 673397016 /nfs/dbraw/zinc/39/70/16/673397016.db2.gz WUJSUXIOLNEZRB-UHFFFAOYSA-N 1 0 352.423 2.484 20 30 FEEDRO C#CCOc1ccc(C[NH2+]Cc2ccc(N(C)S(C)(=O)=O)cc2)cc1 ZINC000733326545 673409939 /nfs/dbraw/zinc/40/99/39/673409939.db2.gz JXWFDAJRFCSBOH-UHFFFAOYSA-N 1 0 358.463 2.384 20 30 FEEDRO Cc1nsc(NC(=O)NCC2CC[NH+](C3CCOCC3)CC2)c1C#N ZINC000596902622 673424144 /nfs/dbraw/zinc/42/41/44/673424144.db2.gz XPQHSWMECAQYER-UHFFFAOYSA-N 1 0 363.487 2.336 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](CC(=O)OCC)C(F)(F)F)CC1 ZINC000597010482 673437725 /nfs/dbraw/zinc/43/77/25/673437725.db2.gz JMPABRQSCRIBBU-ZDUSSCGKSA-N 1 0 365.396 2.210 20 30 FEEDRO C[NH+](C)[C@@H](CNC(=O)C(=O)NCC1(C#N)CCCCC1)c1cccs1 ZINC000597181058 673454573 /nfs/dbraw/zinc/45/45/73/673454573.db2.gz SAPVAYJWDOIRIU-AWEZNQCLSA-N 1 0 362.499 2.057 20 30 FEEDRO CCOCCC[N@@H+]1CCC(=NNS(=O)(=O)c2ccc(C)cc2)[C@@H](C)C1 ZINC000735224025 673486598 /nfs/dbraw/zinc/48/65/98/673486598.db2.gz KMSLLGGPNDPCFC-INIZCTEOSA-N 1 0 367.515 2.398 20 30 FEEDRO CCN(C(=O)COc1cccc(Br)c1C#N)[C@H]1CC[N@H+](C)C1 ZINC000597947212 673522749 /nfs/dbraw/zinc/52/27/49/673522749.db2.gz VSCRRRSEXKYLRR-LBPRGKRZSA-N 1 0 366.259 2.252 20 30 FEEDRO N#Cc1ccc(C[NH2+]CCN2CCN(C(=O)C3CCCCC3)CC2)s1 ZINC000540607021 673549124 /nfs/dbraw/zinc/54/91/24/673549124.db2.gz KSEJXEDPFSKOLU-UHFFFAOYSA-N 1 0 360.527 2.434 20 30 FEEDRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C ZINC000598265399 673553619 /nfs/dbraw/zinc/55/36/19/673553619.db2.gz SOPQZTSGLRDWPD-DNVCBOLYSA-N 1 0 351.491 2.485 20 30 FEEDRO CC(C)CNS(=O)(=O)c1ccc(C[NH2+]C[C@H](O)CC(C)(C)C#N)cc1 ZINC000598724940 673603753 /nfs/dbraw/zinc/60/37/53/673603753.db2.gz MJMNVBLGHGZLIX-MRXNPFEDSA-N 1 0 367.515 2.011 20 30 FEEDRO CC(C)(C#N)C[C@H](O)C[NH2+]C[C@H](CO)Cc1ccc(Br)cc1 ZINC000598730125 673603930 /nfs/dbraw/zinc/60/39/30/673603930.db2.gz QZARPEZBJSRVBH-ZBFHGGJFSA-N 1 0 369.303 2.490 20 30 FEEDRO C=CCn1c(C2CC2)nn(CN2CCC(OCC[NH+](C)C)CC2)c1=S ZINC000738207843 673609074 /nfs/dbraw/zinc/60/90/74/673609074.db2.gz GLUAKLTWVSSCDY-UHFFFAOYSA-N 1 0 365.547 2.478 20 30 FEEDRO COc1ccc(C[NH2+]C[C@H]2CCCCS2(=O)=O)cc1OCCCC#N ZINC000543239195 673634771 /nfs/dbraw/zinc/63/47/71/673634771.db2.gz KFUAIQBMCQOLTL-MRXNPFEDSA-N 1 0 366.483 2.435 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)CCCN(C)C(=O)OC(C)(C)C)CC1 ZINC000740735468 673651698 /nfs/dbraw/zinc/65/16/98/673651698.db2.gz GVJUISNKMJDEMS-UHFFFAOYSA-N 1 0 351.491 2.237 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)c2ccc(OCC(F)(F)F)nc2)CC1 ZINC000740735436 673651810 /nfs/dbraw/zinc/65/18/10/673651810.db2.gz FQQUNGRCPAIAQK-UHFFFAOYSA-N 1 0 355.360 2.240 20 30 FEEDRO C[C@H]1CC[C@H](NC(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)C[NH2+]1 ZINC000599603796 673696342 /nfs/dbraw/zinc/69/63/42/673696342.db2.gz IZRLZVSEVAIMDT-AAEUAGOBSA-N 1 0 358.833 2.659 20 30 FEEDRO N#Cc1ccc(CNC(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)c(F)c1 ZINC000599911724 673727592 /nfs/dbraw/zinc/72/75/92/673727592.db2.gz FKECBMCEWOAYLD-OLZOCXBDSA-N 1 0 358.339 2.366 20 30 FEEDRO N#CCc1ccc(CNC(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1 ZINC000599925256 673728142 /nfs/dbraw/zinc/72/81/42/673728142.db2.gz VDLBUTGMTHEMDY-HUUCEWRRSA-N 1 0 354.376 2.421 20 30 FEEDRO C[C@@H]1CC[C@@H](NC(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)C[NH2+]1 ZINC000599935019 673728900 /nfs/dbraw/zinc/72/89/00/673728900.db2.gz UZXRUHPSFLPKKV-UKRRQHHQSA-N 1 0 361.877 2.184 20 30 FEEDRO C=CCn1nnn(CN(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1=S ZINC000743402640 673758927 /nfs/dbraw/zinc/75/89/27/673758927.db2.gz NIVGKNRQZMIBHN-KRWDZBQOSA-N 1 0 358.515 2.406 20 30 FEEDRO N#CC1(C[C@H](O)C[NH2+]Cc2cccc(OCC(F)F)c2)CCOCC1 ZINC000600721220 673794202 /nfs/dbraw/zinc/79/42/02/673794202.db2.gz BNPLEUSVJMRECJ-HNNXBMFYSA-N 1 0 354.397 2.491 20 30 FEEDRO N#CC1(C[C@H](O)C[NH2+][C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)CC1 ZINC000600732580 673795231 /nfs/dbraw/zinc/79/52/31/673795231.db2.gz SILCODDYMZSZEH-SWLSCSKDSA-N 1 0 351.809 2.229 20 30 FEEDRO CC(C)(C)OC(=O)C(C)(C)CC[NH2+]C[C@H](O)CC1(C#N)CCOCC1 ZINC000600738150 673795626 /nfs/dbraw/zinc/79/56/26/673795626.db2.gz DLYSMQGNKMZSSQ-OAHLLOKOSA-N 1 0 354.491 2.405 20 30 FEEDRO N#CC1(C[C@@H](O)C[NH2+]C[C@@H](O)COc2ccc(C(F)(F)F)cc2)CC1 ZINC000600741676 673795921 /nfs/dbraw/zinc/79/59/21/673795921.db2.gz GWFGCJFYHQCPNX-ZIAGYGMSSA-N 1 0 358.360 2.089 20 30 FEEDRO N#CC1(C[C@H](O)C[NH2+]C[C@@H](O)COc2ccc(C(F)(F)F)cc2)CC1 ZINC000600741675 673795963 /nfs/dbraw/zinc/79/59/63/673795963.db2.gz GWFGCJFYHQCPNX-UONOGXRCSA-N 1 0 358.360 2.089 20 30 FEEDRO N#CC1(C[C@@H](O)C[NH2+]C[C@@H](CO)Cc2cccc(Br)c2)CC1 ZINC000600745884 673796314 /nfs/dbraw/zinc/79/63/14/673796314.db2.gz IDCMNZYTWONKIY-GOEBONIOSA-N 1 0 367.287 2.244 20 30 FEEDRO CN(CCC#N)C[C@@H](O)C[NH2+]CCc1c[nH]c2cc(F)c(Cl)cc12 ZINC000600757787 673796956 /nfs/dbraw/zinc/79/69/56/673796956.db2.gz AHHGBFCLCQFKEM-ZDUSSCGKSA-N 1 0 352.841 2.299 20 30 FEEDRO C[NH+](C)CCOc1ccc(CNS(=O)(=O)CC2(C#N)CCCC2)cc1 ZINC000546801158 673819988 /nfs/dbraw/zinc/81/99/88/673819988.db2.gz AKRFOVPXDHNMHJ-UHFFFAOYSA-N 1 0 365.499 2.130 20 30 FEEDRO COc1ccc(C#N)cc1C[N@H+](CCN1CCOCC1)[C@@H]1CCSC1 ZINC000602883271 673912850 /nfs/dbraw/zinc/91/28/50/673912850.db2.gz QHWAUPPWQCXRMY-GOSISDBHSA-N 1 0 361.511 2.207 20 30 FEEDRO CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)C[N@H+](C)[C@H]2CCSC2)C1 ZINC000603151524 673918291 /nfs/dbraw/zinc/91/82/91/673918291.db2.gz ANFISKNOODMFRX-MSOLQXFVSA-N 1 0 358.511 2.033 20 30 FEEDRO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)n1cc(CC[NH+](C)C)nn1 ZINC000603205232 673918996 /nfs/dbraw/zinc/91/89/96/673918996.db2.gz YXTBYZWQQQOQSG-NSHDSACASA-N 1 0 358.471 2.004 20 30 FEEDRO C[C@@H]1CCCC[N@@H+]1CCCCNc1ccc(C#N)cc1CS(N)(=O)=O ZINC000603283650 673921904 /nfs/dbraw/zinc/92/19/04/673921904.db2.gz LKMLNYORNLXOPG-OAHLLOKOSA-N 1 0 364.515 2.413 20 30 FEEDRO C[NH+]1CCC2(CCN(S(=O)(=O)c3ccc(C#N)cc3Cl)C2)CC1 ZINC000603378897 673927576 /nfs/dbraw/zinc/92/75/76/673927576.db2.gz IUVZYBRWPXEHAX-UHFFFAOYSA-N 1 0 353.875 2.318 20 30 FEEDRO Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CCC2(C1)CC[NH+](C)CC2 ZINC000603377296 673927661 /nfs/dbraw/zinc/92/76/61/673927661.db2.gz CONYNJQTJSVPDR-UHFFFAOYSA-N 1 0 351.447 2.112 20 30 FEEDRO N#Cc1cc(N2CCC[C@@H]([NH+]3CCOCC3)CC2)ncc1Br ZINC000603400766 673929747 /nfs/dbraw/zinc/92/97/47/673929747.db2.gz BMORHSIYAXAELX-CQSZACIVSA-N 1 0 365.275 2.407 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)C1(NC(=O)OC(C)(C)C)CCCCC1 ZINC000818599324 675227422 /nfs/dbraw/zinc/22/74/22/675227422.db2.gz JJDMFHGJTQCQCK-UHFFFAOYSA-N 1 0 351.491 2.285 20 30 FEEDRO CC[S@](=O)[C@@H]1CCC[C@@H]([NH2+]CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000566791631 675243161 /nfs/dbraw/zinc/24/31/61/675243161.db2.gz CRRRDKGEAVIKHP-LNPFQXMTSA-N 1 0 368.524 2.001 20 30 FEEDRO N#Cc1cccnc1NCC[NH2+]C[C@H](O)COCc1ccccc1Cl ZINC000818974466 675248650 /nfs/dbraw/zinc/24/86/50/675248650.db2.gz AMXXPNLHVLBEMI-INIZCTEOSA-N 1 0 360.845 2.186 20 30 FEEDRO Cc1nc2c(s1)[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)CCC2 ZINC000819217430 675270753 /nfs/dbraw/zinc/27/07/53/675270753.db2.gz ZPYLVRYJORYCLY-ZDUSSCGKSA-N 1 0 362.480 2.159 20 30 FEEDRO Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+]C[C@@H](O)c2ccc(C#N)cc2)cc1 ZINC000819241843 675273392 /nfs/dbraw/zinc/27/33/92/675273392.db2.gz XQMBAEPHAOVEEP-DNVCBOLYSA-N 1 0 358.463 2.352 20 30 FEEDRO C#CCNC(=O)CC[NH2+]Cc1nc2cc(Br)ccc2n1CC ZINC000819259371 675274752 /nfs/dbraw/zinc/27/47/52/675274752.db2.gz ICNRJAMLJBKREH-UHFFFAOYSA-N 1 0 363.259 2.048 20 30 FEEDRO CCOc1cc(Br)ccc1NC[C@H](O)CN(C)CCC#N ZINC000819461599 675292136 /nfs/dbraw/zinc/29/21/36/675292136.db2.gz ZPTPKLYGAYUJIP-ZDUSSCGKSA-N 1 0 356.264 2.466 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)C2CCC(C(F)(F)F)CC2)c1C#N ZINC000568834082 675403572 /nfs/dbraw/zinc/40/35/72/675403572.db2.gz QLCDDLXYGLHZTM-UHFFFAOYSA-N 1 0 357.380 2.741 20 30 FEEDRO C#CCN(CC(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1)C(=O)OC(C)(C)C ZINC000822059225 675467584 /nfs/dbraw/zinc/46/75/84/675467584.db2.gz PSXWZDSSISZFHZ-CVEARBPZSA-N 1 0 351.491 2.093 20 30 FEEDRO CCOc1ccc(Br)c(C(=O)NCC#CC[NH+](C)C)c1F ZINC000827972315 675789964 /nfs/dbraw/zinc/78/99/64/675789964.db2.gz YZBUBPIRLBEEGT-UHFFFAOYSA-N 1 0 357.223 2.282 20 30 FEEDRO N#Cc1ccc(N2CCC[C@@H]([N@H+](CCO)[C@@H]3CCCSC3)C2=O)cc1 ZINC000619569057 676385437 /nfs/dbraw/zinc/38/54/37/676385437.db2.gz FVELGEGARWUOAQ-QZTJIDSGSA-N 1 0 359.495 2.244 20 30 FEEDRO C=CCC[C@@H](NS(=O)(=O)CCCN1CC[NH+](C)CC1)c1ccccc1 ZINC000632125925 676977220 /nfs/dbraw/zinc/97/72/20/676977220.db2.gz BKFXAFGUVHVMCQ-LJQANCHMSA-N 1 0 365.543 2.251 20 30 FEEDRO C=CCC[C@@H](NC(=O)C(=O)NC[C@H](C)[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000642747259 677221831 /nfs/dbraw/zinc/22/18/31/677221831.db2.gz MQXMZYVFQXUBKU-SMDDNHRTSA-N 1 0 357.376 2.292 20 30 FEEDRO C=CCOCC[NH2+]Cc1cc(Br)ccc1O[C@@H](C)C(=O)NC ZINC000648509840 677316903 /nfs/dbraw/zinc/31/69/03/677316903.db2.gz GFUDILTZRNOLQP-LBPRGKRZSA-N 1 0 371.275 2.255 20 30 FEEDRO C=CCC[C@H](O)C[N@@H+](Cc1cc(C)c(C)c(S(N)(=O)=O)c1)C1CC1 ZINC000649745839 677336662 /nfs/dbraw/zinc/33/66/62/677336662.db2.gz AUTSCMNRCZCZOT-KRWDZBQOSA-N 1 0 352.500 2.242 20 30 FEEDRO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655957106 677696403 /nfs/dbraw/zinc/69/64/03/677696403.db2.gz NWGBEGSMWQHKAX-ZDUSSCGKSA-N 1 0 357.376 2.483 20 30 FEEDRO C=CCCn1cc(C[NH2+]C2CCN(C(=O)c3cc(Cl)c[nH]3)CC2)nn1 ZINC000657462335 678001943 /nfs/dbraw/zinc/00/19/43/678001943.db2.gz AMJBEEXLSIFCMQ-UHFFFAOYSA-N 1 0 362.865 2.230 20 30 FEEDRO C#C[C@@H]([NH2+]CCC(=O)Nc1cc(OC)c(Cl)cc1OC)[C@@H]1CCCO1 ZINC000839565640 680762293 /nfs/dbraw/zinc/76/22/93/680762293.db2.gz ZETAAGXYGSYWFT-HIFRSBDPSA-N 1 0 366.845 2.456 20 30 FEEDRO COc1ccc(CNC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)cc1C#N ZINC000839709802 680773541 /nfs/dbraw/zinc/77/35/41/680773541.db2.gz OLPMQXOSLXQFPA-KRWDZBQOSA-N 1 0 359.495 2.401 20 30 FEEDRO C=C[C@H](CO)[NH2+]CC(=O)N(C)[C@@]1(c2ccccc2Cl)CCCCC1=O ZINC000662167621 678585148 /nfs/dbraw/zinc/58/51/48/678585148.db2.gz BYQOCSOZIHBRDU-AUUYWEPGSA-N 1 0 364.873 2.273 20 30 FEEDRO C=CCn1c(CC[NH+]2CCCCC2)nn(CN2CC[C@H]2COC)c1=S ZINC000840083971 680796896 /nfs/dbraw/zinc/79/68/96/680796896.db2.gz SEMVLGFFJGPAMR-INIZCTEOSA-N 1 0 365.547 2.307 20 30 FEEDRO C=CC[C@]1(C(=O)N[C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)CCC[NH2+]1 ZINC000662798964 678662660 /nfs/dbraw/zinc/66/26/60/678662660.db2.gz IDWQOBTUQONWPH-CRAIPNDOSA-N 1 0 365.836 2.399 20 30 FEEDRO C=CCN1CCN(C[N@H+]2C[C@@H](CNC(=O)OC(C)(C)C)C[C@H]2C)C1=O ZINC000840029914 680794097 /nfs/dbraw/zinc/79/40/97/680794097.db2.gz HLRQQCHWWKWFPC-HUUCEWRRSA-N 1 0 352.479 2.103 20 30 FEEDRO CN([C@H](C[NH3+])C(F)(F)F)S(=O)(=O)c1ccc(C(F)(F)F)cc1F ZINC000663308711 678721782 /nfs/dbraw/zinc/72/17/82/678721782.db2.gz FVAZSPMQDKZPHQ-SECBINFHSA-N 1 0 368.274 2.355 20 30 FEEDRO [NH3+][C@@H]1CCCN(C(=O)C(=O)Nc2cccc(C#Cc3cccs3)c2)C1 ZINC000667198999 679077300 /nfs/dbraw/zinc/07/73/00/679077300.db2.gz NOXKOUPSOKOCSK-OAHLLOKOSA-N 1 0 353.447 2.036 20 30 FEEDRO CS[C@H]1CN(C(=O)c2c(C)oc(-n3cccc3)c2C#N)C[C@H]1[NH+](C)C ZINC000765273085 680838048 /nfs/dbraw/zinc/83/80/48/680838048.db2.gz WKGFMOYLDQSVHN-CABCVRRESA-N 1 0 358.467 2.368 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)c2ccc(OCC(F)(F)F)cn2)CC1 ZINC000765350309 680840026 /nfs/dbraw/zinc/84/00/26/680840026.db2.gz VZKVAVZJYPTWTD-UHFFFAOYSA-N 1 0 355.360 2.240 20 30 FEEDRO C#CCC[NH+]1CCC(NS(=O)(=O)c2ccccc2OC(F)F)CC1 ZINC000840951711 680856379 /nfs/dbraw/zinc/85/63/79/680856379.db2.gz HXTXXUAZMOBYLZ-UHFFFAOYSA-N 1 0 358.410 2.054 20 30 FEEDRO C#CCC[NH+]1CCC(NS(=O)(=O)c2cc3cc(F)ccc3o2)CC1 ZINC000840951649 680856395 /nfs/dbraw/zinc/85/63/95/680856395.db2.gz DGCBGGVJCCJFRD-UHFFFAOYSA-N 1 0 350.415 2.338 20 30 FEEDRO CC(C)(c1nnc(NC(=O)N[C@H]2C[NH2+]C[C@H]2C#N)s1)c1ccccc1 ZINC000841109473 680863805 /nfs/dbraw/zinc/86/38/05/680863805.db2.gz IJRAMKPQXJMWLQ-YPMHNXCESA-N 1 0 356.455 2.097 20 30 FEEDRO CCN(CC)C(=O)c1ccc(NC(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)cc1Cl ZINC000841027929 680860513 /nfs/dbraw/zinc/86/05/13/680860513.db2.gz GQIKBECQJYDUMD-NHYWBVRUSA-N 1 0 363.849 2.055 20 30 FEEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)Nc1ccc(N2CCSCC2)c(Cl)c1 ZINC000841093977 680862869 /nfs/dbraw/zinc/86/28/69/680862869.db2.gz WLBCQBAAJRBJIS-FZMZJTMJSA-N 1 0 365.890 2.126 20 30 FEEDRO CCO[C@@H](CNC(=O)CSc1nc(C)c(C)c(C)c1C#N)C[NH+](C)C ZINC000831770640 680040701 /nfs/dbraw/zinc/04/07/01/680040701.db2.gz BKBNIHBDGCTNIO-HNNXBMFYSA-N 1 0 364.515 2.054 20 30 FEEDRO C=C(Br)CN1CC[C@]2(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCC[C@H]12 ZINC000990759563 680072520 /nfs/dbraw/zinc/07/25/20/680072520.db2.gz CZPZSRWGSGIYKN-PNBKFKSVSA-N 1 0 370.335 2.348 20 30 FEEDRO C=C(C[NH+](C)C)C(=O)NC[C@]12CCC[C@H]1N(C(=O)OC(C)(C)C)CC2 ZINC000832268080 680118812 /nfs/dbraw/zinc/11/88/12/680118812.db2.gz LOPGPFVLQRMJNL-DNVCBOLYSA-N 1 0 351.491 2.400 20 30 FEEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC1N=Nc1ccc(S(N)(=O)=O)cc1 ZINC000751518167 680184861 /nfs/dbraw/zinc/18/48/61/680184861.db2.gz ZSQKUELMDSXIMG-CQSZACIVSA-N 1 0 358.467 2.254 20 30 FEEDRO C#CCNC(=O)CC[NH2+]C[C@H](c1c(F)cccc1Cl)N1CCCC1 ZINC000834363303 680217625 /nfs/dbraw/zinc/21/76/25/680217625.db2.gz ZHWUWWDZASPWJP-MRXNPFEDSA-N 1 0 351.853 2.345 20 30 FEEDRO Cc1cc(C(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)nn1-c1ccc(Cl)cc1Cl ZINC000834484445 680233395 /nfs/dbraw/zinc/23/33/95/680233395.db2.gz IYJPVDYVDATPCA-HZMBPMFUSA-N 1 0 364.236 2.329 20 30 FEEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000834500879 680235650 /nfs/dbraw/zinc/23/56/50/680235650.db2.gz XPPBNPDAHZDEQZ-IAQYHMDHSA-N 1 0 360.439 2.471 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]C[C@@H]2CC(C)(C)CO2)C1 ZINC001022834273 680240984 /nfs/dbraw/zinc/24/09/84/680240984.db2.gz LANTYARLFABQNY-ADHGMGHFSA-N 1 0 350.503 2.410 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cc(OC)ns2)C1 ZINC001022834532 680241125 /nfs/dbraw/zinc/24/11/25/680241125.db2.gz XRNDGPOQLJUUHW-YXPYIKCWSA-N 1 0 365.499 2.260 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC2(C1)CCC[N@@H+](C[C@H](C)OC)C2 ZINC000982060851 680265503 /nfs/dbraw/zinc/26/55/03/680265503.db2.gz GGGZKQGQOWGYRE-BZSNNMDCSA-N 1 0 350.503 2.317 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[N@H+](C[C@@H]2CC(C)(C)CO2)CC1 ZINC000982179562 680272922 /nfs/dbraw/zinc/27/29/22/680272922.db2.gz WVYAEZLNWMMVDA-BZSNNMDCSA-N 1 0 350.503 2.317 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@H](C[NH2+]Cc2nnc(C)s2)C1 ZINC001024196067 680283894 /nfs/dbraw/zinc/28/38/94/680283894.db2.gz KJRJMKCMFWGWGQ-VYDXJSESSA-N 1 0 364.515 2.156 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2cc(OC)ns2)C(C)(C)C1 ZINC000996332355 680328913 /nfs/dbraw/zinc/32/89/13/680328913.db2.gz YTYHTLHJFDHNRT-QLFBSQMISA-N 1 0 365.499 2.069 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC([NH2+]Cc2snnc2C)CC1 ZINC000997086735 680346849 /nfs/dbraw/zinc/34/68/49/680346849.db2.gz VDUGVZIIDWODMD-RDJZCZTQSA-N 1 0 364.515 2.298 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([C@H](C)[NH2+]Cc2cnns2)CC1 ZINC001029101507 680386346 /nfs/dbraw/zinc/38/63/46/680386346.db2.gz HGIOXYIYHLERFT-XKQJLSEDSA-N 1 0 364.515 2.236 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC([C@@H](C)[NH2+]Cc2nncs2)CC1 ZINC001029157017 680387855 /nfs/dbraw/zinc/38/78/55/680387855.db2.gz UNHKLLPJFTWQFJ-KMFMINBZSA-N 1 0 364.515 2.236 20 30 FEEDRO C[C@H]1CCCC[N@@H+]1CCCCNc1cccc(S(N)(=O)=O)c1C#N ZINC000754978949 680391507 /nfs/dbraw/zinc/39/15/07/680391507.db2.gz IMRHMWBEZPHBQN-AWEZNQCLSA-N 1 0 350.488 2.272 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2cc(OC)ns2)C1 ZINC000984918647 680396762 /nfs/dbraw/zinc/39/67/62/680396762.db2.gz BLFTURGEDVGMIE-HPZZRFSDSA-N 1 0 365.499 2.117 20 30 FEEDRO C=C(Br)CN1CC[C@H](N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001033095603 680417470 /nfs/dbraw/zinc/41/74/70/680417470.db2.gz CDAPAGOJNKXHMU-SOUVJXGZSA-N 1 0 358.324 2.158 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2nnc(CC)s2)CC1 ZINC001034740014 680439327 /nfs/dbraw/zinc/43/93/27/680439327.db2.gz FYVKICKWTJSUDG-TUVASFSCSA-N 1 0 364.515 2.209 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@@]2(C1)CCC[N@H+](CCCO)C2 ZINC001040442569 680472326 /nfs/dbraw/zinc/47/23/26/680472326.db2.gz DCVCVLNQFLUXFB-BJLQDIEVSA-N 1 0 350.503 2.055 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)N1CCN(Cc2ccccc2Cl)CC1 ZINC000836489280 680476091 /nfs/dbraw/zinc/47/60/91/680476091.db2.gz WTNPMFWYQUMXGI-UHFFFAOYSA-N 1 0 362.905 2.122 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)NCC1CC[NH+](CC[C@H]2CCCCO2)CC1 ZINC001001850583 680478570 /nfs/dbraw/zinc/47/85/70/680478570.db2.gz BREQSLWQLSLSNL-QRVBRYPASA-N 1 0 350.503 2.365 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)NCC1CC[NH+](CCC2CCOCC2)CC1 ZINC001001852758 680478696 /nfs/dbraw/zinc/47/86/96/680478696.db2.gz WQNSMNYOEIETHX-MOPGFXCFSA-N 1 0 350.503 2.222 20 30 FEEDRO C=C(Cl)C(C)(C)C(=O)N1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@@H]2C1 ZINC000985826136 680482691 /nfs/dbraw/zinc/48/26/91/680482691.db2.gz FWKAUYNMGFLEPP-OWCLPIDISA-N 1 0 367.921 2.166 20 30 FEEDRO C=C(Cl)C[NH+]1CCC2(CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)CC1 ZINC001040779424 680487433 /nfs/dbraw/zinc/48/74/33/680487433.db2.gz JIQFMKTVTPOIEV-ALYAQQCSSA-N 1 0 350.890 2.477 20 30 FEEDRO C#CC[N@H+]1CC[C@@]2(CCN(C(=O)CC[C@@H]3CC[C@H](C(F)(F)F)O3)C2)C1 ZINC001041376753 680506387 /nfs/dbraw/zinc/50/63/87/680506387.db2.gz VEQLYDLOLVEYFS-ZMSDIMECSA-N 1 0 358.404 2.434 20 30 FEEDRO C[C@@H]1CCO[C@@H]1C(=O)N1CC[C@@]2(CC[N@H+](Cc3ccc(C#N)s3)C2)C1 ZINC001041689579 680508450 /nfs/dbraw/zinc/50/84/50/680508450.db2.gz FKPYIOWEEZYCSX-DKSSEZFCSA-N 1 0 359.495 2.469 20 30 FEEDRO C=C(C[NH+](C)C)C(=O)N(C)[C@@H](CO)c1cc(OC)ccc1Br ZINC000836822566 680518605 /nfs/dbraw/zinc/51/86/05/680518605.db2.gz MNBCRPTZDSBTMT-HNNXBMFYSA-N 1 0 371.275 2.067 20 30 FEEDRO C=C(C[NH+](C)C)C(=O)NC[C@H](CO)Cc1ccc(C)c(Br)c1 ZINC000836989457 680538263 /nfs/dbraw/zinc/53/82/63/680538263.db2.gz BXAOANZEJYNKRR-OAHLLOKOSA-N 1 0 369.303 2.143 20 30 FEEDRO C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H](Nc3nc(C#N)c(Cl)s3)C2)CC[N@@H+]1C ZINC001046633217 680652189 /nfs/dbraw/zinc/65/21/89/680652189.db2.gz RCNPYBLQFUMJOY-WISYIIOYSA-N 1 0 367.906 2.315 20 30 FEEDRO COCCOc1c(Cl)cc(NC(=O)N[C@H]2C[NH2+]C[C@H]2C#N)cc1Cl ZINC000841172138 680867401 /nfs/dbraw/zinc/86/74/01/680867401.db2.gz FOPMLPGIBUAQNQ-RNCFNFMXSA-N 1 0 373.240 2.252 20 30 FEEDRO C[NH+](C)CCCNC(=S)N1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000766521512 680880105 /nfs/dbraw/zinc/88/01/05/680880105.db2.gz DTISLPGWFRMITM-UHFFFAOYSA-N 1 0 365.934 2.160 20 30 FEEDRO N#Cc1ccc(OC[C@H](O)C[NH2+]C[C@@H](O)c2c(F)cccc2Cl)cc1 ZINC000843084042 680986700 /nfs/dbraw/zinc/98/67/00/680986700.db2.gz MPPKSSANHPUXIV-CXAGYDPISA-N 1 0 364.804 2.414 20 30 FEEDRO CSCCNC(=S)NN=C(C)c1ccc(OCC[NH+](C)C)cc1 ZINC000769602690 680988777 /nfs/dbraw/zinc/98/87/77/680988777.db2.gz PKHSTJBPEOPRCE-UHFFFAOYSA-N 1 0 354.545 2.178 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CCc1ccns1 ZINC001049732657 681038157 /nfs/dbraw/zinc/03/81/57/681038157.db2.gz PJSIOHCRDCGQQS-TVFCKZIOSA-N 1 0 361.511 2.342 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[C@H](C[NH2+]C[C@H]2CCOC2)CC1 ZINC001050328146 681045346 /nfs/dbraw/zinc/04/53/46/681045346.db2.gz GDQUAIULKMENMM-NNIGNNQHSA-N 1 0 350.503 2.269 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCO[C@@H](C[NH2+]CC2CCCC2)C1 ZINC001051861660 681070279 /nfs/dbraw/zinc/07/02/79/681070279.db2.gz KZMOLSRYCQOKPP-FHWLQOOXSA-N 1 0 350.503 2.365 20 30 FEEDRO Cc1nsc(NC[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+](C)C)C[C@H]2C)c1C#N ZINC001054473137 681110760 /nfs/dbraw/zinc/11/07/60/681110760.db2.gz HQIRKJKGOVOPEG-XFJVYGCCSA-N 1 0 361.515 2.170 20 30 FEEDRO N#CCCNC(=O)C[NH2+]C1(c2cccc(C(F)(F)F)c2)CCOCC1 ZINC000773915529 681159825 /nfs/dbraw/zinc/15/98/25/681159825.db2.gz FFWOYDPUVNCIHC-UHFFFAOYSA-N 1 0 355.360 2.331 20 30 FEEDRO C#CC[C@H]1CCCN(C(=O)[C@@H](CC[NH+](C)C)NC(=O)OC(C)(C)C)C1 ZINC000846278423 681218444 /nfs/dbraw/zinc/21/84/44/681218444.db2.gz PLBKLFWMGULSBW-JKSUJKDBSA-N 1 0 351.491 2.093 20 30 FEEDRO C#CCN1CCN(C(=O)C[NH2+][C@@H](C)c2ccc(Cl)c(Cl)c2)CC1 ZINC000774789640 681234578 /nfs/dbraw/zinc/23/45/78/681234578.db2.gz SMQDMMPSYVPFCQ-ZDUSSCGKSA-N 1 0 354.281 2.421 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](C[C@H](C)OC)C[C@H]2CC1 ZINC000946595343 681244346 /nfs/dbraw/zinc/24/43/46/681244346.db2.gz UIIYEMOOTYFNRB-QTMHVTGLSA-N 1 0 350.503 2.173 20 30 FEEDRO CNc1nc(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)cs1 ZINC000846662031 681273642 /nfs/dbraw/zinc/27/36/42/681273642.db2.gz JDQGFORJDQGHPS-UHFFFAOYSA-N 1 0 355.467 2.451 20 30 FEEDRO COC(=O)/C=C1\SCC(=O)N1CCC[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000775155500 681278772 /nfs/dbraw/zinc/27/87/72/681278772.db2.gz LLEDMRKVPJSLOP-OMJMQIJPSA-N 1 0 359.451 2.189 20 30 FEEDRO C[NH+](C)CCC[C@@H]1CN(C(=O)C(F)(F)c2ccccc2C#N)CCO1 ZINC000912732845 685428781 /nfs/dbraw/zinc/42/87/81/685428781.db2.gz IMZWKHNANYKLOT-OAHLLOKOSA-N 1 0 351.397 2.219 20 30 FEEDRO C[NH+](C)C[C@H]1COC2(CCCC2)CN1C(=O)N[C@H](CC#N)C(F)(F)F ZINC000932892351 681323766 /nfs/dbraw/zinc/32/37/66/681323766.db2.gz GYQFERHSSLXENI-QWHCGFSZSA-N 1 0 362.396 2.116 20 30 FEEDRO FC1(F)[C@H]2C[NH+](CCn3cncn3)C[C@@H]2C(F)(F)C(F)(F)C1(F)F ZINC000932942213 681331828 /nfs/dbraw/zinc/33/18/28/681331828.db2.gz GCPSHTWACOUYGZ-YUMQZZPRSA-N 1 0 364.240 2.381 20 30 FEEDRO COC[C@H](O)C[NH+]1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932941938 681331942 /nfs/dbraw/zinc/33/19/42/681331942.db2.gz DVXWJWJSRBZIKB-CSMHCCOUSA-N 1 0 357.241 2.097 20 30 FEEDRO CN1CC[C@H]([NH+]2C[C@@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)C1=O ZINC000932944533 681332610 /nfs/dbraw/zinc/33/26/10/681332610.db2.gz WSGSYMHIIBGIFL-PRJMDXOYSA-N 1 0 366.252 2.320 20 30 FEEDRO C[N@@H+]1CC[C@H](CNC(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)C1 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CC(C)[NH+]1CCC(NC(=O)COC(=O)c2ccc(C#N)c(Cl)c2)CC1 ZINC000778536342 681621286 /nfs/dbraw/zinc/62/12/86/681621286.db2.gz XCCULXUSIHNNOT-UHFFFAOYSA-N 1 0 363.845 2.357 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CCOC2(CC[NH+](C/C=C/Cl)CC2)C1 ZINC000949194315 681623368 /nfs/dbraw/zinc/62/33/68/681623368.db2.gz PLYBGWDXVCLEHG-JLSIVADVSA-N 1 0 354.878 2.023 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CCOC2(CC[NH+](C[C@H](F)CC)CC2)C1 ZINC000949194053 681623508 /nfs/dbraw/zinc/62/35/08/681623508.db2.gz HFLRTMLMCUQESP-ZACQAIPSSA-N 1 0 354.466 2.019 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCOC2(CC[NH+](CCC)CC2)C1 ZINC000949206990 681624809 /nfs/dbraw/zinc/62/48/09/681624809.db2.gz GKQXCELXRDNGSU-ROUUACIJSA-N 1 0 350.503 2.461 20 30 FEEDRO C=C(Cl)C(C)(C)C(=O)N1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000949361892 681634513 /nfs/dbraw/zinc/63/45/13/681634513.db2.gz KALBLSGINQTRJL-VHDGCEQUSA-N 1 0 355.910 2.070 20 30 FEEDRO C=C(C)CC[N@@H+]1CCOC2(CCN(C(=O)[C@@H]3CCO[C@H]3CC)CC2)C1 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CJDUOJSEWYTQRM-LJQANCHMSA-N 1 0 361.511 2.423 20 30 FEEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCCO[C@H]1CCOC1 ZINC000916410438 685524309 /nfs/dbraw/zinc/52/43/09/685524309.db2.gz UZNQPIYGRICEIN-INIZCTEOSA-N 1 0 366.531 2.390 20 30 FEEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCOC(=O)N(C)C ZINC000916410243 685524328 /nfs/dbraw/zinc/52/43/28/685524328.db2.gz PUNAXONNIUETCR-UHFFFAOYSA-N 1 0 353.492 2.240 20 30 FEEDRO C=C(Br)C[NH2+]C1CC2(CC(NC(=O)[C@H]3CC[C@@H](C)O3)C2)C1 ZINC000965209300 682187003 /nfs/dbraw/zinc/18/70/03/682187003.db2.gz AAIIDWNBNVNYTO-OFOZEMMXSA-N 1 0 357.292 2.480 20 30 FEEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]CC(=O)NC1CCN(C(=O)OCC)CC1 ZINC000852302941 682256569 /nfs/dbraw/zinc/25/65/69/682256569.db2.gz IORUMNHBIBSCBX-DOTOQJQBSA-N 1 0 351.491 2.448 20 30 FEEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)NC1CCN(C(=O)OCC)CC1 ZINC000852302944 682256644 /nfs/dbraw/zinc/25/66/44/682256644.db2.gz IORUMNHBIBSCBX-WBVHZDCISA-N 1 0 351.491 2.448 20 30 FEEDRO C=C(Br)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[C@H]2C2CCOCC2)C1 ZINC000969311592 682262296 /nfs/dbraw/zinc/26/22/96/682262296.db2.gz DIWJFFKIJXPKPM-QLFBSQMISA-N 1 0 357.292 2.148 20 30 FEEDRO N#Cc1ccc(Br)c(CN2CC[C@@H](N3CCOC3=O)C2)c1 ZINC000852437718 682278962 /nfs/dbraw/zinc/27/89/62/682278962.db2.gz FXHZCUOEUSQEEV-CYBMUJFWSA-N 1 0 350.216 2.347 20 30 FEEDRO Cn1ccnc1[C@H](NC(=O)C#CC1CC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000852806827 682345563 /nfs/dbraw/zinc/34/55/63/682345563.db2.gz MNZZWVFHWVJWFV-GOSISDBHSA-N 1 0 356.857 2.282 20 30 FEEDRO C[C@@H](CNC(=O)C#CC1CC[NH2+]CC1)Oc1cccc(Br)c1 ZINC000852847872 682349926 /nfs/dbraw/zinc/34/99/26/682349926.db2.gz WBYVVWOYQFEMCV-ZDUSSCGKSA-N 1 0 365.271 2.336 20 30 FEEDRO CN(C)Cc1ccc(NC(=O)C#CC2CC[NH2+]CC2)cc1Br ZINC000852886072 682353432 /nfs/dbraw/zinc/35/34/32/682353432.db2.gz GPGYYMGBSIUKRN-UHFFFAOYSA-N 1 0 364.287 2.452 20 30 FEEDRO C#C[C@H]([NH2+]C[C@@H](O)COc1ccccc1C(F)(F)F)C1CCOCC1 ZINC000853116561 682377843 /nfs/dbraw/zinc/37/78/43/682377843.db2.gz XPNFSIZIXXNOKT-ZBFHGGJFSA-N 1 0 357.372 2.463 20 30 FEEDRO C[N@H+](Cc1ccc(C#N)s1)[C@@H]1CCN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C1 ZINC000971965941 682383236 /nfs/dbraw/zinc/38/32/36/682383236.db2.gz IMHWKVPEPIHYQS-IHETXDGRSA-N 1 0 359.495 2.468 20 30 FEEDRO COc1cc[nH+]c(N2CCN(c3cc(Br)cnc3C#N)CC2)c1 ZINC000853271206 682400547 /nfs/dbraw/zinc/40/05/47/682400547.db2.gz CLAABNCCWSEWMU-UHFFFAOYSA-N 1 0 374.242 2.446 20 30 FEEDRO COC(=O)CC[NH+]1CCC(N=Nc2ccnc(Br)c2)CC1 ZINC000788722762 682554136 /nfs/dbraw/zinc/55/41/36/682554136.db2.gz DMVDXFKPWDAJMG-UHFFFAOYSA-N 1 0 355.236 2.271 20 30 FEEDRO CC(C)[C@@H]1CN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)CC[NH2+]1 ZINC000856490876 682788991 /nfs/dbraw/zinc/78/89/91/682788991.db2.gz TYVZSYTZVQBYBZ-CABCVRRESA-N 1 0 352.479 2.030 20 30 FEEDRO CC(C)(C#N)C[C@H](O)C[NH2+]C[C@H](O)c1cc(Cl)c2c(c1)OCCO2 ZINC000857242792 682868482 /nfs/dbraw/zinc/86/84/82/682868482.db2.gz NEHUKCHMQAGAPA-JSGCOSHPSA-N 1 0 354.834 2.035 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N2CCc3nccc(Br)c3C2)CC1 ZINC000857967020 682928744 /nfs/dbraw/zinc/92/87/44/682928744.db2.gz OJPZBNHDJVBHIN-UHFFFAOYSA-N 1 0 362.271 2.074 20 30 FEEDRO C#CCOc1ccc(Br)cc1C[NH2+]C[C@H](O)[C@@H]1CCCO1 ZINC000858226490 682947070 /nfs/dbraw/zinc/94/70/70/682947070.db2.gz OEDGDMLGOPHUNQ-HOCLYGCPSA-N 1 0 354.244 2.091 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N(CC)CCNC(=O)OC(C)(C)C)CC1 ZINC000858236197 682947907 /nfs/dbraw/zinc/94/79/07/682947907.db2.gz DHFUVRCSGWOVIQ-UHFFFAOYSA-N 1 0 354.495 2.193 20 30 FEEDRO Cn1c(CC#N)nn(CN2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)c1=S ZINC000794637011 682985680 /nfs/dbraw/zinc/98/56/80/682985680.db2.gz NOEQVBQJRAICLZ-MRXNPFEDSA-N 1 0 356.499 2.181 20 30 FEEDRO C#CCOc1ccc(Br)cc1C[NH2+]C[C@H](CO)[C@H]1CCOC1 ZINC000795581445 683069592 /nfs/dbraw/zinc/06/95/92/683069592.db2.gz FDNDXJIRURVYQL-DZGCQCFKSA-N 1 0 368.271 2.196 20 30 FEEDRO C=CCS(=O)(=O)CC[NH2+][C@H]1C[C@H]2CC[C@@H]([C@@H]1C)N2C(=O)OC(C)(C)C ZINC000926127305 683079964 /nfs/dbraw/zinc/07/99/64/683079964.db2.gz WLBWAXIBPLOMIM-WCVJEAGWSA-N 1 0 372.531 2.353 20 30 FEEDRO CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)c1ccc(C#N)c(Cl)c1)C2 ZINC000926159106 683085045 /nfs/dbraw/zinc/08/50/45/683085045.db2.gz HURNQFMGODJKAJ-YWTNHNAXSA-N 1 0 361.873 2.421 20 30 FEEDRO C[C@H](C#N)OCC[NH2+][C@@]1(CO)CCc2cc(Br)ccc2C1 ZINC000859574793 683130788 /nfs/dbraw/zinc/13/07/88/683130788.db2.gz RJHQTGPGAAHYET-WBMJQRKESA-N 1 0 353.260 2.187 20 30 FEEDRO C#CCCOc1ccc(C[NH2+]C[C@H]2CCCC[C@@H]2NS(C)(=O)=O)cc1 ZINC000796485855 683164897 /nfs/dbraw/zinc/16/48/97/683164897.db2.gz OSJJKECHGCFLAE-MJGOQNOKSA-N 1 0 364.511 2.286 20 30 FEEDRO Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+]CCNc2ccc(C#N)cn2)cc1 ZINC000927166111 683213575 /nfs/dbraw/zinc/21/35/75/683213575.db2.gz VNKFHHGCRRXIHZ-HNNXBMFYSA-N 1 0 358.467 2.126 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)NCCc2cc(Cl)c3c(c2)OCCO3)CC1 ZINC000919965214 683310032 /nfs/dbraw/zinc/31/00/32/683310032.db2.gz UAJKKSPDPLVGQW-UHFFFAOYSA-N 1 0 362.857 2.115 20 30 FEEDRO CCCCCCCCNC(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000861773091 683470411 /nfs/dbraw/zinc/47/04/11/683470411.db2.gz IEGJLZOFXZROHP-ZIAGYGMSSA-N 1 0 365.440 2.449 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)[C@H](OC)c2ccc(Br)s2)CC1 ZINC000928660808 683483545 /nfs/dbraw/zinc/48/35/45/683483545.db2.gz GVFKTCJDUIQFQY-CQSZACIVSA-N 1 0 371.300 2.412 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)c2ccccc2I)CC1 ZINC000928661379 683483569 /nfs/dbraw/zinc/48/35/69/683483569.db2.gz UWFOINNUPYEJKR-UHFFFAOYSA-N 1 0 368.218 2.119 20 30 FEEDRO CC[NH+]1CCN(c2ccc(C(=O)N[C@@H](CC#N)C(F)(F)F)cc2)CC1 ZINC000928809975 683507164 /nfs/dbraw/zinc/50/71/64/683507164.db2.gz SNEWJXLGOITOTK-HNNXBMFYSA-N 1 0 354.376 2.403 20 30 FEEDRO C[C@H](C[NH2+]Cc1cc(C#N)ccc1Br)CN1CCOCC1 ZINC000921763937 683567983 /nfs/dbraw/zinc/56/79/83/683567983.db2.gz DCSURAZEUJXSTF-CYBMUJFWSA-N 1 0 352.276 2.379 20 30 FEEDRO C=CCCc1ccc(S(=O)(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)cc1 ZINC000921912676 683610990 /nfs/dbraw/zinc/61/09/90/683610990.db2.gz UVOCVDYLJOUFHH-SFHVURJKSA-N 1 0 364.511 2.337 20 30 FEEDRO C#CCN(C(=O)NCc1c(F)cc(F)c(F)c1F)C1CC[NH+](C)CC1 ZINC000922248650 683687763 /nfs/dbraw/zinc/68/77/63/683687763.db2.gz QZMAVTBRUMURCA-UHFFFAOYSA-N 1 0 357.351 2.482 20 30 FEEDRO C=C(C[NH+](C)C)C(=O)N1C[C@]2(C)CN(C(=O)OC(C)(C)C)C[C@]2(C)C1 ZINC000863510148 683736712 /nfs/dbraw/zinc/73/67/12/683736712.db2.gz JPXDSQSZDYNRGM-KDURUIRLSA-N 1 0 351.491 2.210 20 30 FEEDRO N#CC1(C[C@H](O)C[NH2+]C[C@@H](O)c2ccc(Cl)c(F)c2)CCOCC1 ZINC000863563392 683742823 /nfs/dbraw/zinc/74/28/23/683742823.db2.gz PTXXRXZPKVLJPF-XJKSGUPXSA-N 1 0 356.825 2.173 20 30 FEEDRO C[C@](O)(C[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1)C(F)(F)C(F)(F)F ZINC000930541959 683749192 /nfs/dbraw/zinc/74/91/92/683749192.db2.gz QRPYNILNTGDVTH-YPMHNXCESA-N 1 0 365.302 2.355 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)NCCc2cccc(C(F)(F)F)n2)CC1 ZINC000922604786 683752164 /nfs/dbraw/zinc/75/21/64/683752164.db2.gz AIKJNSLJMHYYFK-UHFFFAOYSA-N 1 0 354.376 2.040 20 30 FEEDRO C#CCOc1ccc(Br)cc1C[NH2+]CC[C@@H]1CNC(=O)C1 ZINC000922783905 683782112 /nfs/dbraw/zinc/78/21/12/683782112.db2.gz DTLPFVGDVOTRIC-LBPRGKRZSA-N 1 0 351.244 2.077 20 30 FEEDRO CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)C[N@H+](C)C2CCC2)C1=O ZINC000863852129 683784163 /nfs/dbraw/zinc/78/41/63/683784163.db2.gz LHLDSHBYBGERCA-GOSISDBHSA-N 1 0 352.479 2.173 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)Nc2cnc(C(F)(F)F)cc2OC)CC1 ZINC000931077703 683827662 /nfs/dbraw/zinc/82/76/62/683827662.db2.gz DSFHKOZXNSHVOD-UHFFFAOYSA-N 1 0 356.348 2.328 20 30 FEEDRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@@H]2Cc3ccc(C#N)cc3C2)cc1 ZINC000866614633 684126211 /nfs/dbraw/zinc/12/62/11/684126211.db2.gz KTPDFUIYAJVYJG-FZKQIMNGSA-N 1 0 355.463 2.284 20 30 FEEDRO C=CCCSCCNC(=O)N[C@@H]1C[C@]2(C[N@@H+](C)[C@@H]2C(C)C)C[C@H]1O ZINC000923228735 684245755 /nfs/dbraw/zinc/24/57/55/684245755.db2.gz WZIRAEVHDLBSBZ-YFHUEUNASA-N 1 0 355.548 2.075 20 30 FEEDRO C[NH+](C)CC#CCNC(=O)Nc1ccc(Cl)c(F)c1N1CCOCC1 ZINC000931307686 684258877 /nfs/dbraw/zinc/25/88/77/684258877.db2.gz IKUCTBSMNGSJSV-UHFFFAOYSA-N 1 0 368.840 2.002 20 30 FEEDRO C#CC[N@@H+](CCO[C@H]1CCOC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000931740445 684340892 /nfs/dbraw/zinc/34/08/92/684340892.db2.gz DDSVAKPQSNSZHT-KRWDZBQOSA-N 1 0 352.475 2.127 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2CC[C@@]3(C2)CCCC[NH2+]3)cc1C(F)(F)F ZINC000923736545 684343176 /nfs/dbraw/zinc/34/31/76/684343176.db2.gz QZVMQIBSYDXSLF-OAHLLOKOSA-N 1 0 373.400 2.484 20 30 FEEDRO C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[NH+]2CCC1CC2 ZINC000867697087 684354482 /nfs/dbraw/zinc/35/44/82/684354482.db2.gz AWAWBIIDUGKFHP-CQSZACIVSA-N 1 0 357.882 2.329 20 30 FEEDRO C=C(C)CN1CCC([NH2+][C@@H]2COCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000924989934 684513898 /nfs/dbraw/zinc/51/38/98/684513898.db2.gz VYHSBJIOXYVRLY-KRWDZBQOSA-N 1 0 353.507 2.252 20 30 FEEDRO C[C@@H](CC(C)(C)C#N)[NH2+]CC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000925041140 684519255 /nfs/dbraw/zinc/51/92/55/684519255.db2.gz UUCJGUNXSZRHON-NSHDSACASA-N 1 0 355.426 2.466 20 30 FEEDRO Cc1cccc(C#N)c1S(=O)(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000871805981 684858240 /nfs/dbraw/zinc/85/82/40/684858240.db2.gz UNKQTUUOFVRVPG-CHWSQXEVSA-N 1 0 361.389 2.015 20 30 FEEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@H]2CCCS(=O)(=O)CC2)ccc1OC ZINC000873049201 685059649 /nfs/dbraw/zinc/05/96/49/685059649.db2.gz CCUNYAODOXBIJU-JKSUJKDBSA-N 1 0 366.483 2.433 20 30 FEEDRO N#CCOc1cc(F)ccc1NC(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000873316220 685109820 /nfs/dbraw/zinc/10/98/20/685109820.db2.gz IQZWJEBZBSCLEN-ONGXEEELSA-N 1 0 360.311 2.329 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)Nc1ccc(OC)cc1 ZINC000876606257 686227004 /nfs/dbraw/zinc/22/70/04/686227004.db2.gz ZJVUAEUOPHWVSN-GJZGRUSLSA-N 1 0 351.834 2.095 20 30 FEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)NCC1(c2ccc3c(c2)OCO3)CCOCC1 ZINC000876618894 686229056 /nfs/dbraw/zinc/22/90/56/686229056.db2.gz IMVIZFNESGEKAI-CQSZACIVSA-N 1 0 366.845 2.050 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N1CCN(C(=O)c2c(F)cccc2Cl)CC1 ZINC000876626940 686231243 /nfs/dbraw/zinc/23/12/43/686231243.db2.gz MJKPRUYZHRWHPY-ZDUSSCGKSA-N 1 0 374.243 2.233 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)Nc1cccc(C(=O)N2CCSCC2)c1 ZINC000876630350 686232376 /nfs/dbraw/zinc/23/23/76/686232376.db2.gz XPKRNOVASXKGBT-AWEZNQCLSA-N 1 0 353.875 2.284 20 30 FEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)Nc1cc(C)ccc1OC ZINC000876669207 686240403 /nfs/dbraw/zinc/24/04/03/686240403.db2.gz DQBRMYYKZQXWKL-HIFRSBDPSA-N 1 0 365.861 2.403 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)Nc1cc(C)ccc1OC ZINC000876669209 686240456 /nfs/dbraw/zinc/24/04/56/686240456.db2.gz DQBRMYYKZQXWKL-ZFWWWQNUSA-N 1 0 365.861 2.403 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N1CCN(C(=O)c2cc3occc3s2)CC1 ZINC000876675103 686240773 /nfs/dbraw/zinc/24/07/73/686240773.db2.gz CJGZJSPYPBKIED-NSHDSACASA-N 1 0 367.858 2.249 20 30 FEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCN(Cc2nc3ccccc3s2)CC1 ZINC000876709716 686249857 /nfs/dbraw/zinc/24/98/57/686249857.db2.gz YQXAUMLYVIBSOF-CYBMUJFWSA-N 1 0 364.902 2.410 20 30 FEEDRO CO[C@@H](C)c1nc(CNC(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)cs1 ZINC000876781478 686267235 /nfs/dbraw/zinc/26/72/35/686267235.db2.gz LZIAXRLHHRGIFA-MEDUHNTESA-N 1 0 356.451 2.225 20 30 FEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC2(C[C@H]2C(=O)N2CCCCC2)CC1 ZINC000876902457 686291604 /nfs/dbraw/zinc/29/16/04/686291604.db2.gz CQKMBFUQLOTBBY-LSDHHAIUSA-N 1 0 353.894 2.098 20 30 FEEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]CCS(=O)(=O)Cc1ccccc1 ZINC000876986476 686305773 /nfs/dbraw/zinc/30/57/73/686305773.db2.gz DSNUCTGPOSQRMN-MRXNPFEDSA-N 1 0 350.484 2.290 20 30 FEEDRO C=C(C)C[C@H](NC(=O)c1sc(C2CC[NH2+]CC2)nc1C)C(=O)OC ZINC000877195959 686338975 /nfs/dbraw/zinc/33/89/75/686338975.db2.gz UEGLVUANUFWPOG-ZDUSSCGKSA-N 1 0 351.472 2.156 20 30 FEEDRO CN1CC[NH+](CC2(C)CCN(Cc3cc(C#N)cnc3Cl)CC2)CC1 ZINC000877334090 686356185 /nfs/dbraw/zinc/35/61/85/686356185.db2.gz JLSAHLSTIQQCRQ-UHFFFAOYSA-N 1 0 361.921 2.456 20 30 FEEDRO C#CCC1(O)CC[NH+](C[C@H](O)COc2ccccc2C(F)(F)F)CC1 ZINC000880481509 687052912 /nfs/dbraw/zinc/05/29/12/687052912.db2.gz VNIWLUGUAPBLKI-AWEZNQCLSA-N 1 0 357.372 2.295 20 30 FEEDRO Cc1cc(C#N)ccc1S(=O)(=O)N1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000882621027 687411615 /nfs/dbraw/zinc/41/16/15/687411615.db2.gz HNFYUTNVNKVFBB-HNNXBMFYSA-N 1 0 356.451 2.161 20 30 FEEDRO C[NH+](C)CC1(NC(=O)Nc2ccc(Br)c(C#N)n2)CCC1 ZINC000883107329 687566719 /nfs/dbraw/zinc/56/67/19/687566719.db2.gz UUUZXDXDYXKGTI-UHFFFAOYSA-N 1 0 352.236 2.322 20 30 FEEDRO C=CCC[C@H]([NH2+]CC1(N2CCOCC2)CC(OCC)C1)[C@H]1CCCO1 ZINC000883218766 687589621 /nfs/dbraw/zinc/58/96/21/687589621.db2.gz HASCSURDBDWCIG-FUFFSDJGSA-N 1 0 352.519 2.360 20 30 FEEDRO N#C[C@H]1C[NH2+]CC12CC(C(=O)NCc1ccc(OC(F)(F)F)cc1)C2 ZINC000884063534 687782597 /nfs/dbraw/zinc/78/25/97/687782597.db2.gz CTFWUEWERLPNLJ-UYJPIKCFSA-N 1 0 353.344 2.341 20 30 FEEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@H]([NH3+])CCOC ZINC000884116046 687793041 /nfs/dbraw/zinc/79/30/41/687793041.db2.gz KVDZTIHREOZXEL-CQSZACIVSA-N 1 0 359.239 2.467 20 30 FEEDRO COCC[N@H+](C)CCCNC(=O)NCc1ccc(SC)c(C#N)c1 ZINC000884198430 687815680 /nfs/dbraw/zinc/81/56/80/687815680.db2.gz WMCYQDWHDAQICR-UHFFFAOYSA-N 1 0 350.488 2.048 20 30 FEEDRO C=CCOCC[N@@H+]1C[C@H](C(=O)OC(C)(C)C)C2(CC(C(=O)OC)C2)C1 ZINC000886883448 688331825 /nfs/dbraw/zinc/33/18/25/688331825.db2.gz CKXQEYUMNNUVQC-XAUUPUKJSA-N 1 0 353.459 2.032 20 30 FEEDRO CCN(C(=O)C(=O)Nc1ccccc1SC[C@H](C)C#N)[C@H]1CC[NH2+]C1 ZINC000886997504 688352744 /nfs/dbraw/zinc/35/27/44/688352744.db2.gz NLHAWCONFJTOCY-KGLIPLIRSA-N 1 0 360.483 2.087 20 30 FEEDRO C#CCC1([NH2+]CC(=O)N(C)CCOc2ccc(Cl)cc2)CCOCC1 ZINC000887126153 688370427 /nfs/dbraw/zinc/37/04/27/688370427.db2.gz YLRMRSMTCCZZEK-UHFFFAOYSA-N 1 0 364.873 2.339 20 30 FEEDRO N#C[C@H](c1cccs1)N1CCN(C(=O)C[NH2+]C2(C3CC3)CCC2)CC1 ZINC000887147696 688371482 /nfs/dbraw/zinc/37/14/82/688371482.db2.gz YGPAPDNIOKSIEP-MRXNPFEDSA-N 1 0 358.511 2.379 20 30 FEEDRO C#CCC1(NC(=O)NCC2([NH+]3CCSCC3)CCCC2)CCOCC1 ZINC000887773401 688490517 /nfs/dbraw/zinc/49/05/17/688490517.db2.gz VQZWBSOEMLBSSZ-UHFFFAOYSA-N 1 0 365.543 2.220 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)N1CC[C@H]2CC[C@]21CNC(=O)OC(C)(C)C ZINC000890823449 688969463 /nfs/dbraw/zinc/96/94/63/688969463.db2.gz PPSDSQYUJAGONJ-BEFAXECRSA-N 1 0 351.491 2.400 20 30 FEEDRO C[C@@]1(C#N)CN(C(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)CCO1 ZINC000892512368 689206625 /nfs/dbraw/zinc/20/66/25/689206625.db2.gz RFUVKWQVDPWTNM-CRAIPNDOSA-N 1 0 362.499 2.284 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCOC[C@H]2C[C@H]2CCCO2)CC1 ZINC000892850300 689253095 /nfs/dbraw/zinc/25/30/95/689253095.db2.gz GKMGNKFKHDGXAP-QZTJIDSGSA-N 1 0 351.491 2.006 20 30 FEEDRO C#CCSCC[NH2+][C@H]1C[C@H](NC(=O)OC(C)(C)C)C12CCOCC2 ZINC000892994819 689277899 /nfs/dbraw/zinc/27/78/99/689277899.db2.gz ZBPSQCWXXLZBMA-GJZGRUSLSA-N 1 0 354.516 2.405 20 30 FEEDRO CN(Cc1cc(C#N)cs1)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000893009140 689280750 /nfs/dbraw/zinc/28/07/50/689280750.db2.gz BPFBYMHSHJJTOK-MRXNPFEDSA-N 1 0 362.499 2.405 20 30 FEEDRO C[NH+](C)CC1(O)CCN(c2cc(Br)c(C#N)cc2F)CC1 ZINC000894957068 689628964 /nfs/dbraw/zinc/62/89/64/689628964.db2.gz URDPHNICCOKEBM-UHFFFAOYSA-N 1 0 356.239 2.353 20 30 FEEDRO COC(=O)[C@H]1[C@H](C[NH2+]C2(c3ccc(C#N)cc3)CCOCC2)C1(F)F ZINC000895405577 689710561 /nfs/dbraw/zinc/71/05/61/689710561.db2.gz LKGAKIMQTGFGPP-LSDHHAIUSA-N 1 0 350.365 2.208 20 30 FEEDRO C#C[C@H](NC(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO)c1ccc(Cl)cc1 ZINC000895684895 689754517 /nfs/dbraw/zinc/75/45/17/689754517.db2.gz GTAAGTPSEGCHAX-OKZBNKHCSA-N 1 0 361.873 2.255 20 30 FEEDRO CC1([NH+]2CCC2)CCC(Nc2ccc(C#N)cc2CS(N)(=O)=O)CC1 ZINC000896256767 689844035 /nfs/dbraw/zinc/84/40/35/689844035.db2.gz XSLPCASKOFVYKT-UHFFFAOYSA-N 1 0 362.499 2.166 20 30 FEEDRO C#CCSCC(=O)N(C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000896873723 689942131 /nfs/dbraw/zinc/94/21/31/689942131.db2.gz MHNRRDRFXNHYRV-UHFFFAOYSA-N 1 0 351.560 2.008 20 30 FEEDRO C[NH+]1CCC(N(Cc2ccco2)C(=O)NCc2nc(C#N)cs2)CC1 ZINC000897301852 690002810 /nfs/dbraw/zinc/00/28/10/690002810.db2.gz WAGJWSQHDCTPIL-UHFFFAOYSA-N 1 0 359.455 2.414 20 30 FEEDRO CC(C)(C)OC(=O)N1CC[C@@](O)(C[NH2+]Cc2cc(C#N)cnc2Cl)C1 ZINC000897695801 690065135 /nfs/dbraw/zinc/06/51/35/690065135.db2.gz RZLUUUOJVULDDB-QGZVFWFLSA-N 1 0 366.849 2.068 20 30 FEEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]Cc1cccc(N(C)S(C)(=O)=O)c1 ZINC000898283285 690153920 /nfs/dbraw/zinc/15/39/20/690153920.db2.gz YCFYHYQJLUIBDC-HNNXBMFYSA-N 1 0 365.499 2.271 20 30 FEEDRO COc1cc(C[NH2+][C@@H]2CCN(c3cn[nH]c(=O)c3Cl)C2)ccc1C#N ZINC000898367634 690167861 /nfs/dbraw/zinc/16/78/61/690167861.db2.gz GBPGTWWUFVEUNC-CYBMUJFWSA-N 1 0 359.817 2.084 20 30 FEEDRO N#Cc1ccc(-n2ccc(NC(=O)N3CC[C@@H]4C[NH2+]C[C@@H]43)n2)c(Cl)c1 ZINC000521360277 690410192 /nfs/dbraw/zinc/41/01/92/690410192.db2.gz LTHGBMRAALSDQL-DOMZBBRYSA-N 1 0 356.817 2.223 20 30 FEEDRO CN(CCC#N)C[C@H](O)C[NH+]1CC(Cc2ccc(Br)cc2)C1 ZINC000899899238 690436506 /nfs/dbraw/zinc/43/65/06/690436506.db2.gz WEVJOUXPASWTSN-KRWDZBQOSA-N 1 0 366.303 2.130 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)N[C@H](C(=O)OC)c1ccc(Br)cc1 ZINC000900429849 690515661 /nfs/dbraw/zinc/51/56/61/690515661.db2.gz USCDNNGOKKHRBF-AWEZNQCLSA-N 1 0 369.259 2.287 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)N[C@@H]1CCN(c2ccccc2OC(F)F)C1 ZINC000900741170 690556135 /nfs/dbraw/zinc/55/61/35/690556135.db2.gz JMJYQLAECYWMGG-CQSZACIVSA-N 1 0 353.413 2.491 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)N(C)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000901175527 690621443 /nfs/dbraw/zinc/62/14/43/690621443.db2.gz QXFQUBYCICMZJR-CQSZACIVSA-N 1 0 356.875 2.135 20 30 FEEDRO C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@H]1CCc2ncc(Br)n2C1 ZINC000901727206 690685183 /nfs/dbraw/zinc/68/51/83/690685183.db2.gz DPZGLBDTBQXMSB-STQMWFEESA-N 1 0 367.291 2.139 20 30 FEEDRO C[C@H]([NH2+]C1CCN(S(=O)(=O)C(C)(C)C)CC1)c1cc(C#N)ccn1 ZINC000902969970 690825037 /nfs/dbraw/zinc/82/50/37/690825037.db2.gz HHMJAEYPDHGFTH-ZDUSSCGKSA-N 1 0 350.488 2.197 20 30 FEEDRO C=C(C)C[C@H](CO)[NH2+][C@H]1C[C@H](NC(=O)OC(C)(C)C)C12CCOCC2 ZINC000903222213 690868378 /nfs/dbraw/zinc/86/83/78/690868378.db2.gz YLNDVAQUJDEWJW-PMPSAXMXSA-N 1 0 354.491 2.366 20 30 FEEDRO C[C@@H]([NH3+])[C@H]1CCCCN1S(=O)(=O)c1ccc(Br)c(C#N)c1 ZINC000903484373 690898322 /nfs/dbraw/zinc/89/83/22/690898322.db2.gz ZHJNPRUWIPANBP-QMTHXVAHSA-N 1 0 372.288 2.211 20 30 FEEDRO N#Cc1cccc(CS(=O)(=O)N2C[C@@H](C[NH3+])Cc3cc(F)ccc32)c1 ZINC000903589551 690933553 /nfs/dbraw/zinc/93/35/53/690933553.db2.gz XCUJPVWCEVZOFR-OAHLLOKOSA-N 1 0 359.426 2.165 20 30 FEEDRO N#Cc1ccc(CS(=O)(=O)N2CCCc3cc(CC[NH3+])ccc32)cc1 ZINC000903599448 690936165 /nfs/dbraw/zinc/93/61/65/690936165.db2.gz PQMCKCAGELNBKJ-UHFFFAOYSA-N 1 0 355.463 2.342 20 30 FEEDRO N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)n1 ZINC000904417058 691026223 /nfs/dbraw/zinc/02/62/23/691026223.db2.gz YDGVNDUUZPJNEJ-HZSPNIEDSA-N 1 0 356.817 2.412 20 30 FEEDRO N#Cc1ccc(OC[C@H](O)C[NH2+]CC[C@@H]2CC[C@@H](C(F)(F)F)O2)cc1 ZINC000905556765 691140217 /nfs/dbraw/zinc/14/02/17/691140217.db2.gz OWYJMODZLUFZLQ-KBMXLJTQSA-N 1 0 358.360 2.388 20 30 FEEDRO N#CC1(C[C@H](O)C[NH2+]C[C@@H]2CCC[C@H](C(F)(F)F)O2)CCOCC1 ZINC000905568126 691143170 /nfs/dbraw/zinc/14/31/70/691143170.db2.gz RMGBPPSLXAPFEF-MELADBBJSA-N 1 0 350.381 2.147 20 30 FEEDRO C#CCN(C(=O)CSC(=S)N1CCC(C)CC1)C1CC[NH+](C)CC1 ZINC000906451862 691270268 /nfs/dbraw/zinc/27/02/68/691270268.db2.gz JUWLQFHVMHAMCE-UHFFFAOYSA-N 1 0 367.584 2.292 20 30 FEEDRO CC[NH2+]Cc1cccc(NC(=O)C(=O)N(C)Cc2cc(C#N)cs2)c1 ZINC000906707669 691304516 /nfs/dbraw/zinc/30/45/16/691304516.db2.gz CHBYKCSNBHHSIN-UHFFFAOYSA-N 1 0 356.451 2.326 20 30 FEEDRO CN(Cc1cc(C#N)cs1)C(=O)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC000906707678 691304541 /nfs/dbraw/zinc/30/45/41/691304541.db2.gz CMEOEBZREHRFTR-UHFFFAOYSA-N 1 0 356.451 2.411 20 30 FEEDRO CCN(Cc1ccc(C[NH+](C)C)cc1)S(=O)(=O)c1ccc(C#N)cn1 ZINC000906908204 691341466 /nfs/dbraw/zinc/34/14/66/691341466.db2.gz XTRDVDSRVZEAEY-UHFFFAOYSA-N 1 0 358.467 2.226 20 30 FEEDRO C[N@@H+]1CCO[C@@H]2CN(c3cnc(Cl)nc3Oc3ccc(C#N)cc3)C[C@H]21 ZINC001164668963 719482603 /nfs/dbraw/zinc/48/26/03/719482603.db2.gz RUBVNNYFOPXPDX-HZPDHXFCSA-N 1 0 371.828 2.313 20 30 FEEDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncc3c(C#N)c[nH]c3n1)C2 ZINC001164817386 720149312 /nfs/dbraw/zinc/14/93/12/720149312.db2.gz PEENNPUCOXIHLD-OXJNMPFZSA-N 1 0 366.469 2.014 20 30 FEEDRO Cc1ccc(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc1C#N ZINC001164819663 720315916 /nfs/dbraw/zinc/31/59/16/720315916.db2.gz FQNAVKDYMCPJQT-RTBURBONSA-N 1 0 367.497 2.173 20 30 FEEDRO COCC[N@@H+]1CCO[C@H]2CN(c3nc(C)c(C#N)cc3Cl)CC[C@@H]2C1 ZINC001164852919 720889478 /nfs/dbraw/zinc/88/94/78/720889478.db2.gz AJPXSSOZMAHSMO-PBHICJAKSA-N 1 0 364.877 2.089 20 30 FEEDRO N#Cc1c(Cl)ncnc1N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164897121 721520708 /nfs/dbraw/zinc/52/07/08/721520708.db2.gz DSHHFENLLMTUJW-HIFRSBDPSA-N 1 0 373.819 2.483 20 30 FEEDRO Cc1cnc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c(C#N)n1 ZINC001164903829 721549320 /nfs/dbraw/zinc/54/93/20/721549320.db2.gz DCBPLXZOWGHIQH-WBVHZDCISA-N 1 0 353.401 2.138 20 30 FEEDRO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2c1nc(Cl)c(Cl)cc1C#N ZINC001164928664 721863839 /nfs/dbraw/zinc/86/38/39/721863839.db2.gz ZTSNAGLAAKFIDZ-ZIAGYGMSSA-N 1 0 354.285 2.475 20 30 FEEDRO N#Cc1cnc2cnc(Cl)cc2c1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001165038346 721902993 /nfs/dbraw/zinc/90/29/93/721902993.db2.gz QFUZRUJXJXRHRZ-AWEZNQCLSA-N 1 0 357.845 2.456 20 30 FEEDRO N#Cc1cnc2cnc(Cl)cc2c1N1C[C@@H]2C[N@@H+](CC3CC3)C[C@H](C1)O2 ZINC001164965290 722068393 /nfs/dbraw/zinc/06/83/93/722068393.db2.gz HNTONUMCKBCWIT-GASCZTMLSA-N 1 0 369.856 2.454 20 30 FEEDRO N#Cc1c(F)cccc1-n1ccc(NC(=O)N[C@@H]2CC[NH2+]C23CCC3)n1 ZINC000528690823 887613120 /nfs/dbraw/zinc/61/31/20/887613120.db2.gz ZWSLTSYKFIWXHF-OAHLLOKOSA-N 1 0 354.389 2.289 20 30 FEEDRO C=CCc1ccccc1OC[C@H](O)C[NH+]1CCC(NC(=O)C2CC2)CC1 ZINC000030538805 539884527 /nfs/dbraw/zinc/88/45/27/539884527.db2.gz GQQNUAOGPJUFLZ-LJQANCHMSA-N 1 0 358.482 2.145 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)C(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000550294817 674088570 /nfs/dbraw/zinc/08/85/70/674088570.db2.gz PHXUSQUHHJQLGV-UHFFFAOYSA-N 1 0 363.527 2.499 20 30 FEEDRO C[C@@H]1CCC[N@H+](CCNC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)C1 ZINC000046382095 540254422 /nfs/dbraw/zinc/25/44/22/540254422.db2.gz UADBZADUXNWYGV-GOSISDBHSA-N 1 0 369.513 2.117 20 30 FEEDRO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccc(C#N)cc1)c1cccc(F)c1 ZINC000048843230 540375084 /nfs/dbraw/zinc/37/50/84/540375084.db2.gz ORLSPOXLHQNTGZ-KRWDZBQOSA-N 1 0 354.385 2.055 20 30 FEEDRO CC(C)(C)NC(=O)CN1CCC[N@H+](CCCOc2ccc(C#N)cc2)CC1 ZINC000051499989 540436442 /nfs/dbraw/zinc/43/64/42/540436442.db2.gz JPBFHPVFCVYFEN-UHFFFAOYSA-N 1 0 372.513 2.250 20 30 FEEDRO C[NH+](C)CCn1c2cc(NC(=O)c3sccc3C#N)ccc2oc1=O ZINC000052033466 540451680 /nfs/dbraw/zinc/45/16/80/540451680.db2.gz XAZLVNRWWDTSCE-UHFFFAOYSA-N 1 0 356.407 2.342 20 30 FEEDRO N#Cc1ccccc1NC(=O)CC[N@@H+]1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000052931123 540500893 /nfs/dbraw/zinc/50/08/93/540500893.db2.gz OYLJTRNDDRAYIF-QGZVFWFLSA-N 1 0 354.454 2.125 20 30 FEEDRO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)CCCOc1ccc(Cl)cc1 ZINC000053681550 540549029 /nfs/dbraw/zinc/54/90/29/540549029.db2.gz KPJFATJPNYOLBD-CYBMUJFWSA-N 1 0 353.850 2.441 20 30 FEEDRO C=CCN1C(=O)c2ccc(C(=O)N[C@H](C)C[N@@H+]3CCC[C@H](C)C3)cc2C1=O ZINC000055402747 540651212 /nfs/dbraw/zinc/65/12/12/540651212.db2.gz DEIKHNQZDSXXNY-LSDHHAIUSA-N 1 0 369.465 2.319 20 30 FEEDRO C[NH+](C)CCOc1ccc(NC(=O)C(=O)Nc2sccc2C#N)cc1 ZINC000550689604 674105537 /nfs/dbraw/zinc/10/55/37/674105537.db2.gz ZSWDDWFAPGGGLX-UHFFFAOYSA-N 1 0 358.423 2.137 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N(C)CC(=O)Nc2ccccc2SC)CC1 ZINC000057127545 540770488 /nfs/dbraw/zinc/77/04/88/540770488.db2.gz AHKNFJCNORNHIC-UHFFFAOYSA-N 1 0 359.495 2.151 20 30 FEEDRO CC[N@H+](C)[C@@H](C(=O)N1CCN(c2ccc(C#N)cn2)CC1)c1ccccc1 ZINC000057835182 540818279 /nfs/dbraw/zinc/81/82/79/540818279.db2.gz BRIVWHPVICIWRM-HXUWFJFHSA-N 1 0 363.465 2.295 20 30 FEEDRO C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CCC(C#N)CC1 ZINC000057877459 540821158 /nfs/dbraw/zinc/82/11/58/540821158.db2.gz XEQSHYWCPFMJNP-QGZVFWFLSA-N 1 0 354.498 2.391 20 30 FEEDRO Cc1ccc(OC[C@H](O)C[N@@H+]2CCCN(c3ncccc3C#N)CC2)cc1 ZINC000064633118 541213085 /nfs/dbraw/zinc/21/30/85/541213085.db2.gz QYOUIMYSJFEJKP-LJQANCHMSA-N 1 0 366.465 2.214 20 30 FEEDRO C[N@H+]1CC=C(CNC(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CC1 ZINC000541906914 541295897 /nfs/dbraw/zinc/29/58/97/541295897.db2.gz MTVCMNXRQWIHKZ-UHFFFAOYSA-N 1 0 354.389 2.266 20 30 FEEDRO C[C@H]1CN(C2CC[NH+](CCC(=O)Nc3ccc(C#N)cc3)CC2)CCO1 ZINC000066562059 541336213 /nfs/dbraw/zinc/33/62/13/541336213.db2.gz RYQQTSVEVMAHKC-INIZCTEOSA-N 1 0 356.470 2.072 20 30 FEEDRO CC(C)[NH+]1CCN(C(=O)CCC(=O)N(CCC#N)c2ccccc2)CC1 ZINC000066620453 541347813 /nfs/dbraw/zinc/34/78/13/541347813.db2.gz PHGWCTQRIIJKBX-UHFFFAOYSA-N 1 0 356.470 2.266 20 30 FEEDRO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000066998633 541405355 /nfs/dbraw/zinc/40/53/55/541405355.db2.gz BMXMWGRPWAAMKK-KBPBESRZSA-N 1 0 362.499 2.476 20 30 FEEDRO CCOc1ccc(C#N)cc1NC(=O)C(=O)NCCC[NH+]1CCCCCC1 ZINC000067324055 541444806 /nfs/dbraw/zinc/44/48/06/541444806.db2.gz PHIMEIIPUDQZGU-UHFFFAOYSA-N 1 0 372.469 2.278 20 30 FEEDRO C=CCOc1cccc(NC(=O)C(=O)N2CCC([NH+]3CCCC3)CC2)c1 ZINC000067368891 541450352 /nfs/dbraw/zinc/45/03/52/541450352.db2.gz OHBWNCSCKRBFIX-UHFFFAOYSA-N 1 0 357.454 2.277 20 30 FEEDRO C#CCOc1ccccc1C[NH2+]CC[C@](O)(c1nccn1C)C(F)(F)F ZINC000067698630 541500231 /nfs/dbraw/zinc/50/02/31/541500231.db2.gz ZEPKVAAWYMTWCN-KRWDZBQOSA-N 1 0 367.371 2.362 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]2c2nnc3n2CCCCC3)CC1 ZINC000067708640 541503458 /nfs/dbraw/zinc/50/34/58/541503458.db2.gz WYFRXUQGHNVUKJ-QGZVFWFLSA-N 1 0 355.486 2.013 20 30 FEEDRO CNC(=O)[C@H]1CCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000067978827 541535439 /nfs/dbraw/zinc/53/54/39/541535439.db2.gz YCUHUKDXJJXGTE-CQSZACIVSA-N 1 0 360.483 2.038 20 30 FEEDRO CCc1nnc2ccc(N3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)nn21 ZINC000068661412 541617680 /nfs/dbraw/zinc/61/76/80/541617680.db2.gz NHXFXVMUNIFUKO-UHFFFAOYSA-N 1 0 361.453 2.271 20 30 FEEDRO C[C@H](OC[C@H]1CCCO1)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000068791409 541629016 /nfs/dbraw/zinc/62/90/16/541629016.db2.gz FKWWGEXKGVKJKT-QFBILLFUSA-N 1 0 359.470 2.033 20 30 FEEDRO COc1cccc([C@H](CNS(=O)(=O)CCCCC#N)[NH+]2CCCC2)c1 ZINC000068872905 541635914 /nfs/dbraw/zinc/63/59/14/541635914.db2.gz ODZHVMUNPWATCF-SFHVURJKSA-N 1 0 365.499 2.445 20 30 FEEDRO CC[C@H](C)[C@@H](NC(=O)C[N@H+](Cc1ccc(C#N)cc1)C(C)C)C(=O)OC ZINC000069520648 541693013 /nfs/dbraw/zinc/69/30/13/541693013.db2.gz PLLRDTINEWTEBP-HNAYVOBHSA-N 1 0 359.470 2.473 20 30 FEEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000073496604 541959383 /nfs/dbraw/zinc/95/93/83/541959383.db2.gz WJVYHMUUBHYYQH-GJZGRUSLSA-N 1 0 374.510 2.429 20 30 FEEDRO CC[C@H]1CN(C(=O)CNc2ccc(C#N)cn2)CC[N@@H+]1Cc1ccccc1 ZINC000545403931 541960881 /nfs/dbraw/zinc/96/08/81/541960881.db2.gz FOUXUFIJUAJYTK-IBGZPJMESA-N 1 0 363.465 2.488 20 30 FEEDRO C=CCNc1nnc(SCC(=O)NC2CC[NH+](C(C)C)CC2)s1 ZINC000074374708 542076893 /nfs/dbraw/zinc/07/68/93/542076893.db2.gz GFCYJVHLYNTORJ-UHFFFAOYSA-N 1 0 355.533 2.217 20 30 FEEDRO CC(C)N(Cc1ccc(C#N)cc1)C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000074655407 542107476 /nfs/dbraw/zinc/10/74/76/542107476.db2.gz KTMDSDITYBFQIK-GOSISDBHSA-N 1 0 371.529 2.362 20 30 FEEDRO CCC[NH+]1CCC(NC(=O)C(=O)Nc2cccc(OCCCC#N)c2)CC1 ZINC000076316966 542260646 /nfs/dbraw/zinc/26/06/46/542260646.db2.gz AXPYDKOJXYMIOQ-UHFFFAOYSA-N 1 0 372.469 2.298 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccccc2SCCC#N)CC1 ZINC000076512750 542288631 /nfs/dbraw/zinc/28/86/31/542288631.db2.gz BQOPIPRDAWZWCA-UHFFFAOYSA-N 1 0 372.494 2.397 20 30 FEEDRO C[C@@H](NC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc(C#N)cc1 ZINC000077348637 542371289 /nfs/dbraw/zinc/37/12/89/542371289.db2.gz WMFXPVBKEVONRZ-WBVHZDCISA-N 1 0 356.470 2.419 20 30 FEEDRO CN(C)CC[NH+]1CCC(CNC(=O)c2cccc(SCC#N)c2)CC1 ZINC000079537533 542525404 /nfs/dbraw/zinc/52/54/04/542525404.db2.gz DLETWWBFGZXEPF-UHFFFAOYSA-N 1 0 360.527 2.306 20 30 FEEDRO CCC[NH+]1CCC(NC(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)CC1 ZINC000080457899 542590367 /nfs/dbraw/zinc/59/03/67/542590367.db2.gz HIYMAYYUXVSEHF-FQEVSTJZSA-N 1 0 369.513 2.280 20 30 FEEDRO C[NH+](C)CCN1C[C@H](C(=O)N[C@H](C#N)c2ccc(C(C)(C)C)cc2)CC1=O ZINC000081368463 542651331 /nfs/dbraw/zinc/65/13/31/542651331.db2.gz PVIWVJNFYGUHMJ-SJLPKXTDSA-N 1 0 370.497 2.075 20 30 FEEDRO C[C@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCC(c2nnc[nH]2)CC1 ZINC000083424463 542697300 /nfs/dbraw/zinc/69/73/00/542697300.db2.gz KPIJBVUVWLUMMG-OAHLLOKOSA-N 1 0 352.442 2.319 20 30 FEEDRO C[C@@H](Oc1ccc(C#N)cc1)C(=O)NCCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000083027309 542689285 /nfs/dbraw/zinc/68/92/85/542689285.db2.gz DFZSNYQDYHPGMN-IXDOHACOSA-N 1 0 359.470 2.331 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N(CC)[C@@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000084438123 542714313 /nfs/dbraw/zinc/71/43/13/542714313.db2.gz SHQSESNVQOLSDU-LJQANCHMSA-N 1 0 370.497 2.474 20 30 FEEDRO N#Cc1ccc(-c2nnc(CN3CCC[C@@H]3C[N@H+]3CCC[C@@H]3CO)o2)cc1 ZINC000085856834 542732744 /nfs/dbraw/zinc/73/27/44/542732744.db2.gz OFXHGBDXJJTHNU-QZTJIDSGSA-N 1 0 367.453 2.029 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)C[C@@H]2OCCc3ccccc32)c1C#N ZINC000089677694 542768239 /nfs/dbraw/zinc/76/82/39/542768239.db2.gz QVTJKSBOVPNNAY-KRWDZBQOSA-N 1 0 353.426 2.076 20 30 FEEDRO CN(CC[NH+]1CCCC1)CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000089898229 542772463 /nfs/dbraw/zinc/77/24/63/542772463.db2.gz XIDJMAKFZQNLEN-UHFFFAOYSA-N 1 0 367.415 2.201 20 30 FEEDRO C[C@@H]1C[NH+](CCCCNC(=O)Cc2cccc(OCC#N)c2)C[C@@H](C)O1 ZINC000090060939 542781378 /nfs/dbraw/zinc/78/13/78/542781378.db2.gz VOJIFANVEYCDNU-IAGOWNOFSA-N 1 0 359.470 2.137 20 30 FEEDRO CCc1nn(C)cc1NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000091202203 542798757 /nfs/dbraw/zinc/79/87/57/542798757.db2.gz KADKCKUUHFZITK-UHFFFAOYSA-N 1 0 354.458 2.450 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N[C@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)cc2)CC1 ZINC000091771165 542825011 /nfs/dbraw/zinc/82/50/11/542825011.db2.gz NVNNTUVKNKMKTK-HKUYNNGSSA-N 1 0 373.884 2.073 20 30 FEEDRO CN(CCC#N)C(=O)CC[N@H+](C)[C@H](CO)c1cccc(Br)c1 ZINC000092808627 542888344 /nfs/dbraw/zinc/88/83/44/542888344.db2.gz REYGBRYVGNQHJK-OAHLLOKOSA-N 1 0 368.275 2.176 20 30 FEEDRO CC[C@H](CO)[NH+]1CCN(Cc2cn(CCC#N)nc2-c2ccccc2)CC1 ZINC000093739788 542939066 /nfs/dbraw/zinc/93/90/66/542939066.db2.gz LDDZGKZBBVYHHL-HXUWFJFHSA-N 1 0 367.497 2.352 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)NCC2([NH+]3CCCCC3)CCCCC2)cn1 ZINC000101568653 543034624 /nfs/dbraw/zinc/03/46/24/543034624.db2.gz WJEHYGRINNNTGG-UHFFFAOYSA-N 1 0 362.499 2.420 20 30 FEEDRO N#Cc1ccc(N2CCN(C(=O)NC[C@@H]3CC[N@@H+](C4CC4)C3)CC2)c(F)c1 ZINC000101792445 543045896 /nfs/dbraw/zinc/04/58/96/543045896.db2.gz RSVRWVOLFBXQKT-INIZCTEOSA-N 1 0 371.460 2.013 20 30 FEEDRO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000104075741 543122290 /nfs/dbraw/zinc/12/22/90/543122290.db2.gz LQMASQYUEJINOH-QWHCGFSZSA-N 1 0 374.510 2.413 20 30 FEEDRO CN(C)S(=O)(=O)c1ccccc1CNC(=[NH2+])Nc1ccc2c(c1)CCC2 ZINC000104159297 543125665 /nfs/dbraw/zinc/12/56/65/543125665.db2.gz IQUOWBYTMCSJIO-UHFFFAOYSA-N 1 0 372.494 2.352 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000104326995 543128135 /nfs/dbraw/zinc/12/81/35/543128135.db2.gz WIUZGZHAYPBION-UHFFFAOYSA-N 1 0 370.413 2.088 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)c2ccc(=O)n(Cc3ccccc3)n2)CC1 ZINC000106037825 543186024 /nfs/dbraw/zinc/18/60/24/543186024.db2.gz QFKNLAYPLYKVKO-UHFFFAOYSA-N 1 0 366.465 2.062 20 30 FEEDRO Cc1nc(C)n(C[C@H]2CCC[N@@H+]([C@@H](C)C(=O)NC3(C#N)CCCCC3)C2)n1 ZINC000106179277 543213337 /nfs/dbraw/zinc/21/33/37/543213337.db2.gz WVXZNLVBKIKZIL-YJBOKZPZSA-N 1 0 372.517 2.338 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)NC2CCN(C(=O)c3ccoc3)CC2)CC1 ZINC000106275066 543221603 /nfs/dbraw/zinc/22/16/03/543221603.db2.gz OIRZXPIGKPKMPB-UHFFFAOYSA-N 1 0 374.485 2.224 20 30 FEEDRO N#C[C@H]1CN(C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)CCO1 ZINC000106336544 543224040 /nfs/dbraw/zinc/22/40/40/543224040.db2.gz UUIQMACSNPFTMN-IBGZPJMESA-N 1 0 356.470 2.497 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(C)c(NC(C)=O)c2)CC1 ZINC000106349359 543224656 /nfs/dbraw/zinc/22/46/56/543224656.db2.gz KZDULKRSWHLOFG-UHFFFAOYSA-N 1 0 372.469 2.049 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(C)cc2OCC)CC1 ZINC000106349131 543224762 /nfs/dbraw/zinc/22/47/62/543224762.db2.gz ZELSKRVVBMNPSW-UHFFFAOYSA-N 1 0 359.470 2.489 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)CNC(=O)c2c(F)cccc2Cl)CC1 ZINC000107353315 543267356 /nfs/dbraw/zinc/26/73/56/543267356.db2.gz IAYIAIWJQKEWKX-UHFFFAOYSA-N 1 0 367.852 2.366 20 30 FEEDRO C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)Nc2ccccc2SCCC#N)C1 ZINC000108606646 543297429 /nfs/dbraw/zinc/29/74/29/543297429.db2.gz WXOCZEFPKMWZEQ-OAHLLOKOSA-N 1 0 374.510 2.479 20 30 FEEDRO COc1ccc(C[C@H]([NH2+]CC(=O)NCC#N)c2ccc(OC)cc2)cc1 ZINC000108851938 543305596 /nfs/dbraw/zinc/30/55/96/543305596.db2.gz OJJMGSHEYZTOIR-IBGZPJMESA-N 1 0 353.422 2.217 20 30 FEEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000109404200 543323881 /nfs/dbraw/zinc/32/38/81/543323881.db2.gz XUHFTZSNJBVFDZ-INIZCTEOSA-N 1 0 358.486 2.033 20 30 FEEDRO CC(C)C(=O)NC[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000110264146 543353726 /nfs/dbraw/zinc/35/37/26/543353726.db2.gz XZGRICKVSRHWJZ-IRXDYDNUSA-N 1 0 362.518 2.202 20 30 FEEDRO CC[C@@H](C)[C@H](C)[N@H+](CC(=O)N1CCN(c2oc(C)nc2C#N)CC1)C1CC1 ZINC000111226790 543386897 /nfs/dbraw/zinc/38/68/97/543386897.db2.gz LTUYIGSCOJAIOB-CABCVRRESA-N 1 0 373.501 2.402 20 30 FEEDRO C=CC1CC[NH+](CC(=O)N2CCC(C(=O)N3CCC[C@H](C)C3)CC2)CC1 ZINC000111258488 543390147 /nfs/dbraw/zinc/39/01/47/543390147.db2.gz YZCMJKIVBZZGLR-KRWDZBQOSA-N 1 0 361.530 2.382 20 30 FEEDRO C[C@@H](CNC(=O)C(=O)Nc1ccc(C#N)cc1)[N@H+](C)Cc1ccccc1 ZINC000111911409 543424991 /nfs/dbraw/zinc/42/49/91/543424991.db2.gz KEZVYLJXSSFYEL-HNNXBMFYSA-N 1 0 350.422 2.133 20 30 FEEDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)N1CCCN(c2ncccc2C#N)CC1 ZINC000111883409 543423110 /nfs/dbraw/zinc/42/31/10/543423110.db2.gz CCWFBKQNODEHMC-SFHVURJKSA-N 1 0 370.501 2.049 20 30 FEEDRO N#Cc1ccc(C[NH+]2CCC3(CC2)NC(=O)CN3Cc2ccccc2)cc1 ZINC000112369054 543444168 /nfs/dbraw/zinc/44/41/68/543444168.db2.gz NMRIUBWLNYSFJB-UHFFFAOYSA-N 1 0 360.461 2.482 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@H]2CC(=O)N(C)[C@H]2c2ccccc2)CC1 ZINC000112636573 543455126 /nfs/dbraw/zinc/45/51/26/543455126.db2.gz OEUWDKCKGKRIJO-ICSRJNTNSA-N 1 0 355.482 2.363 20 30 FEEDRO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)C)C1 ZINC000112701004 543457799 /nfs/dbraw/zinc/45/77/99/543457799.db2.gz FMYWYCYPAFBBAG-QINHECLXSA-N 1 0 364.534 2.304 20 30 FEEDRO C[N@H+](CCNC(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1)C1CCCC1 ZINC000114596159 543525160 /nfs/dbraw/zinc/52/51/60/543525160.db2.gz NGKXPRDQECUMLP-HXUWFJFHSA-N 1 0 369.513 2.280 20 30 FEEDRO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1ccccc1SCCC#N ZINC000118117262 543647127 /nfs/dbraw/zinc/64/71/27/543647127.db2.gz PIRIEHBISWNPDH-CQSZACIVSA-N 1 0 362.499 2.477 20 30 FEEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000121135791 543690266 /nfs/dbraw/zinc/69/02/66/543690266.db2.gz OKXYZXKPYZCOOT-GOSISDBHSA-N 1 0 357.502 2.433 20 30 FEEDRO C#CCOc1cccc(NC(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000118821321 543659858 /nfs/dbraw/zinc/65/98/58/543659858.db2.gz TXHOVQIADIYCSO-KRWDZBQOSA-N 1 0 357.454 2.275 20 30 FEEDRO C[C@]1(CNS(=O)(=O)c2ccc(C#N)nc2)CCC[N@@H+]1Cc1ccccc1 ZINC000119720339 543671436 /nfs/dbraw/zinc/67/14/36/543671436.db2.gz XNXSLPAHDJTMRE-LJQANCHMSA-N 1 0 370.478 2.286 20 30 FEEDRO CC(C)[C@@H](CNC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1)[NH+]1CCCC1 ZINC000122840196 543726468 /nfs/dbraw/zinc/72/64/68/543726468.db2.gz CNOPZTODMXMBFB-MRXNPFEDSA-N 1 0 362.861 2.387 20 30 FEEDRO N#CCOc1ccccc1C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000122035524 543702604 /nfs/dbraw/zinc/70/26/04/543702604.db2.gz WHHYQWYRNYBQHF-MSOLQXFVSA-N 1 0 357.454 2.087 20 30 FEEDRO C=CCN1C(=O)c2ccc(C(=O)NCC3([NH3+])CCCCCC3)cc2C1=O ZINC000122346833 543706270 /nfs/dbraw/zinc/70/62/70/543706270.db2.gz ZYIIHJAUKKTKOH-UHFFFAOYSA-N 1 0 355.438 2.250 20 30 FEEDRO C=CCCOCCNC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1 ZINC000122475073 543707042 /nfs/dbraw/zinc/70/70/42/543707042.db2.gz ABUMIYBXJJKDEQ-IYBDPMFKSA-N 1 0 362.474 2.087 20 30 FEEDRO C[NH+]=C(NCc1nc(C(F)(F)F)cs1)NCc1c(C)nn(C)c1C ZINC000122489167 543707195 /nfs/dbraw/zinc/70/71/95/543707195.db2.gz HUNYEQCCZZEBFZ-UHFFFAOYSA-N 1 0 360.409 2.377 20 30 FEEDRO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC[C@H](Cc2nccn2C)C1 ZINC000123810850 543784207 /nfs/dbraw/zinc/78/42/07/543784207.db2.gz GKKIFKIAGQWFQX-IAGOWNOFSA-N 1 0 357.502 2.406 20 30 FEEDRO C=CCN1C(=O)c2ccc(C(=O)N(C)[C@H]3CC[N@H+](C)[C@@H](C)C3)cc2C1=O ZINC000123385949 543759099 /nfs/dbraw/zinc/75/90/99/543759099.db2.gz FNTHRCQUAPTXAL-ZFWWWQNUSA-N 1 0 355.438 2.023 20 30 FEEDRO CN(CCC#N)c1ccc(C[N@@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)cc1 ZINC000124500586 543826354 /nfs/dbraw/zinc/82/63/54/543826354.db2.gz AWVKCOPUQZKCIF-IBGZPJMESA-N 1 0 370.497 2.107 20 30 FEEDRO C[NH+]=C(NCCc1c[nH]c2ccc(Cl)cc12)N[C@@H]1CCc2ncnn2C1 ZINC000124954443 543853471 /nfs/dbraw/zinc/85/34/71/543853471.db2.gz WKZVJTCCBQMBJY-CQSZACIVSA-N 1 0 371.876 2.135 20 30 FEEDRO C[C@H](C(=O)N(C)CCC#N)[NH+]1CCC(C(=O)N2CCc3ccccc32)CC1 ZINC000129339414 544106306 /nfs/dbraw/zinc/10/63/06/544106306.db2.gz GUDADJSXAKYKTG-MRXNPFEDSA-N 1 0 368.481 2.048 20 30 FEEDRO COc1ccc(CN2CC[NH+](CC(C)(C)O)CC2)cc1OCCCC#N ZINC000130006839 544135348 /nfs/dbraw/zinc/13/53/48/544135348.db2.gz MAGSIQPLFOPTGW-UHFFFAOYSA-N 1 0 361.486 2.266 20 30 FEEDRO N#Cc1c2c(sc1NC(=O)CCN1CC(=O)N[C@H]3CCCC[C@H]31)CCC2 ZINC000133442293 544270304 /nfs/dbraw/zinc/27/03/04/544270304.db2.gz PSUGVWMMAZZDEN-LSDHHAIUSA-N 1 0 372.494 2.180 20 30 FEEDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)Nc2ccc(C#N)cc2F)C1 ZINC000136039431 544365358 /nfs/dbraw/zinc/36/53/58/544365358.db2.gz QKHXGOOUGDUBFG-CYBMUJFWSA-N 1 0 360.433 2.263 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCN(c3cc(C)ccn3)CC2)CC1 ZINC000139060933 544399471 /nfs/dbraw/zinc/39/94/71/544399471.db2.gz YMKVWMNXGHXWNQ-UHFFFAOYSA-N 1 0 357.502 2.262 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)c(F)c1 ZINC000151217121 544518389 /nfs/dbraw/zinc/51/83/89/544518389.db2.gz ZSVOLIQMCMKUNE-OAHLLOKOSA-N 1 0 351.447 2.336 20 30 FEEDRO C=C(C)COc1cccc(NC(=O)C(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)c1 ZINC000151918983 544595702 /nfs/dbraw/zinc/59/57/02/544595702.db2.gz LGZDEVHOHPRUDE-HOCLYGCPSA-N 1 0 357.454 2.321 20 30 FEEDRO C=CC[C@@H](C)[C@H](C)[NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000152141721 544617869 /nfs/dbraw/zinc/61/78/69/544617869.db2.gz LANTURYNWFUUKQ-KGLIPLIRSA-N 1 0 358.529 2.459 20 30 FEEDRO N#Cc1ccc2ncc(C[NH2+][C@@H]3CCN(C(=O)C4CCCCC4)C3)n2c1 ZINC000152538134 544665802 /nfs/dbraw/zinc/66/58/02/544665802.db2.gz CNFMVCRISDJTMP-QGZVFWFLSA-N 1 0 351.454 2.477 20 30 FEEDRO CCO[C@@H]1C[C@H](O)C12CC[NH+](CCC(=O)Nc1cccc(C#N)c1)CC2 ZINC000152706170 544685662 /nfs/dbraw/zinc/68/56/62/544685662.db2.gz PSAWJNZDMXQRFU-ZWKOTPCHSA-N 1 0 357.454 2.139 20 30 FEEDRO C[NH+](C)C[C@](C)(O)CNC(=O)c1cccc(COc2ccccc2C#N)c1 ZINC000152810466 544698449 /nfs/dbraw/zinc/69/84/49/544698449.db2.gz PPYGKBRSDASNJK-OAQYLSRUSA-N 1 0 367.449 2.180 20 30 FEEDRO CSc1cccc(NC(=O)C[N@H+](C)CCCc2[nH]nc(N)c2C#N)c1 ZINC000153254229 544753256 /nfs/dbraw/zinc/75/32/56/544753256.db2.gz BQUMIPHENLWKLB-UHFFFAOYSA-N 1 0 358.471 2.089 20 30 FEEDRO C[NH+](C)CCN(Cc1cccc(O)c1)C(=O)C#Cc1ccc2c(c1)OCO2 ZINC000153434462 544774246 /nfs/dbraw/zinc/77/42/46/544774246.db2.gz URNMHQSYLNUQKE-UHFFFAOYSA-N 1 0 366.417 2.063 20 30 FEEDRO CC(C)N1CCN(S(=O)(=O)c2cc(Br)cc(C#N)c2)CC1 ZINC000155115785 544991464 /nfs/dbraw/zinc/99/14/64/544991464.db2.gz UVKUCFUNSNSORT-UHFFFAOYSA-N 1 0 372.288 2.035 20 30 FEEDRO CN(CC[NH+]1CCCC1)S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000155191316 544999596 /nfs/dbraw/zinc/99/95/96/544999596.db2.gz OMZRIYHFOTVWOC-UHFFFAOYSA-N 1 0 372.288 2.037 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCCC[C@@H]2SCC)CC1 ZINC000553395414 674257512 /nfs/dbraw/zinc/25/75/12/674257512.db2.gz HQGLKNLFHXJPIC-SJORKVTESA-N 1 0 367.559 2.324 20 30 FEEDRO C[C@@H]([NH3+])C1CCN(S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)CC1 ZINC000178927368 327616821 /nfs/dbraw/zinc/61/68/21/327616821.db2.gz MQUGBCGXXIVWDH-SNVBAGLBSA-N 1 0 361.389 2.325 20 30 FEEDRO Cn1cc(C[NH2+]CCc2cccc(C(N)=O)c2)c(-c2ccc(C#N)cc2)n1 ZINC000180173234 327674923 /nfs/dbraw/zinc/67/49/23/327674923.db2.gz XJYNBCWTQTVLMG-UHFFFAOYSA-N 1 0 359.433 2.390 20 30 FEEDRO CC(C)(O)C[NH+]1CCN(Cc2ccc(C#N)cc2Br)CC1 ZINC000181073340 327715072 /nfs/dbraw/zinc/71/50/72/327715072.db2.gz GJSMALHXMBNFTD-UHFFFAOYSA-N 1 0 352.276 2.209 20 30 FEEDRO CC(C)(C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)N1CCOCC1 ZINC000181403754 327728750 /nfs/dbraw/zinc/72/87/50/327728750.db2.gz PMDJRPLQOMLZOC-UHFFFAOYSA-N 1 0 356.514 2.223 20 30 FEEDRO C[C@@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)[C@H](C)N1CCOCC1 ZINC000181710340 327743089 /nfs/dbraw/zinc/74/30/89/327743089.db2.gz LRFMQRLUYCKEEH-MSOLQXFVSA-N 1 0 356.514 2.221 20 30 FEEDRO C[C@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)[C@H](C)N1CCOCC1 ZINC000181710321 327743091 /nfs/dbraw/zinc/74/30/91/327743091.db2.gz LRFMQRLUYCKEEH-ROUUACIJSA-N 1 0 356.514 2.221 20 30 FEEDRO C[S@@](=O)C[C@H]([NH2+]C[C@H](O)COc1ccc(C#N)cc1)c1ccccc1 ZINC000183122141 327802639 /nfs/dbraw/zinc/80/26/39/327802639.db2.gz UKELCVKGBXPLFW-FXJWSJNKSA-N 1 0 358.463 2.007 20 30 FEEDRO COc1cc(C#N)ccc1S(=O)(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000185782685 327932646 /nfs/dbraw/zinc/93/26/46/327932646.db2.gz LELHLKCBJPJOJP-MRXNPFEDSA-N 1 0 363.483 2.063 20 30 FEEDRO Cn1cc(C[NH+]2CCC(Cn3cncn3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000186219491 327952502 /nfs/dbraw/zinc/95/25/02/327952502.db2.gz SQKSXXUQZYEGIS-UHFFFAOYSA-N 1 0 361.453 2.462 20 30 FEEDRO C[C@@H]1CC[C@@](CO)([N@H+](C)CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1 ZINC000188023018 328060924 /nfs/dbraw/zinc/06/09/24/328060924.db2.gz NAHMAXNGTOYWPT-FOIQADDNSA-N 1 0 367.453 2.165 20 30 FEEDRO Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)Nc2ccc(C#N)cc2F)o1 ZINC000189373238 328143865 /nfs/dbraw/zinc/14/38/65/328143865.db2.gz QAJYLMGNTAMGDY-UHFFFAOYSA-N 1 0 372.400 2.128 20 30 FEEDRO COc1ccc([C@H](C[NH2+]Cc2cc(C#N)n(C)c2)N2CCOCC2)cc1 ZINC000190681315 328224534 /nfs/dbraw/zinc/22/45/34/328224534.db2.gz GYFIKTRHJPBTPG-FQEVSTJZSA-N 1 0 354.454 2.068 20 30 FEEDRO C[C@@H](C(=O)Nc1cccc(F)c1)N1CCN(Cc2cc(C#N)n(C)c2)CC1 ZINC000191249680 328256487 /nfs/dbraw/zinc/25/64/87/328256487.db2.gz KIEHFRJTZWRFBD-HNNXBMFYSA-N 1 0 369.444 2.181 20 30 FEEDRO CC[C@H](CO)[NH+]1CCN(Cc2cc(C#N)ccc2Br)CC1 ZINC000191799798 328282596 /nfs/dbraw/zinc/28/25/96/328282596.db2.gz IDYPPYSEKUXBJW-OAHLLOKOSA-N 1 0 352.276 2.209 20 30 FEEDRO CCN(C)c1ccc(C[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cn1 ZINC000192242651 328308634 /nfs/dbraw/zinc/30/86/34/328308634.db2.gz GJWCTGSTPYMKEK-LJQANCHMSA-N 1 0 363.465 2.300 20 30 FEEDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000192939931 328348162 /nfs/dbraw/zinc/34/81/62/328348162.db2.gz YRIBOEXGUACGCX-MRXNPFEDSA-N 1 0 373.501 2.434 20 30 FEEDRO CC(C)CN(CC[NH+](C)C)C(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000193322632 328368780 /nfs/dbraw/zinc/36/87/80/328368780.db2.gz CFODLXHNOKEBNJ-UHFFFAOYSA-N 1 0 361.490 2.099 20 30 FEEDRO CC(C)C[C@H](CNC(=O)C(=O)Nc1cc(C#N)ccc1Cl)[NH+](C)C ZINC000088768140 325300316 /nfs/dbraw/zinc/30/03/16/325300316.db2.gz SNBCHGLHCNGMKZ-CYBMUJFWSA-N 1 0 350.850 2.243 20 30 FEEDRO N#Cc1ccc(NC(=O)CC[N@@H+]2CCO[C@@H]([C@@H]3CCCO3)C2)cc1Cl ZINC000089155641 325305155 /nfs/dbraw/zinc/30/51/55/325305155.db2.gz CPSROHDCZKFKLR-DLBZAZTESA-N 1 0 363.845 2.420 20 30 FEEDRO C[N@H+](CCCc1[nH]nc(N)c1C#N)Cc1ccn(-c2ccc(F)cc2)n1 ZINC000089943739 325344273 /nfs/dbraw/zinc/34/42/73/325344273.db2.gz IWEOLQYRYVSORY-UHFFFAOYSA-N 1 0 353.405 2.253 20 30 FEEDRO C[NH+]1CCC(CNC(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)CC1 ZINC000092236239 325406355 /nfs/dbraw/zinc/40/63/55/325406355.db2.gz MREMKBYJCIVAOQ-UHFFFAOYSA-N 1 0 371.485 2.284 20 30 FEEDRO C[NH+]1CCC(CNC(=O)N[C@@H]2CCCN(c3ccccc3C#N)C2)CC1 ZINC000109174083 325661144 /nfs/dbraw/zinc/66/11/44/325661144.db2.gz KIVOLSWIOUXFGC-GOSISDBHSA-N 1 0 355.486 2.168 20 30 FEEDRO Cn1cc(C#N)cc1C(=O)Nc1cccc(C[NH+]2CCC(CO)CC2)c1 ZINC000120749168 326284600 /nfs/dbraw/zinc/28/46/00/326284600.db2.gz XHNPJNQVOIBFRU-UHFFFAOYSA-N 1 0 352.438 2.353 20 30 FEEDRO Cc1ncsc1C(=O)NC1CC[NH+](C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000127336414 326504636 /nfs/dbraw/zinc/50/46/36/326504636.db2.gz QMGHSNJSVDDQED-QGZVFWFLSA-N 1 0 370.478 2.251 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)Cc2coc3cc(OC)ccc23)c1C#N ZINC000128143876 326518592 /nfs/dbraw/zinc/51/85/92/326518592.db2.gz ROMNSMRHAODAEY-UHFFFAOYSA-N 1 0 367.409 2.369 20 30 FEEDRO Cc1cc(C[NH+](C)C)cc(NC(=O)CNC(=O)c2ccc(C#N)cc2)c1 ZINC000130243476 326553549 /nfs/dbraw/zinc/55/35/49/326553549.db2.gz KWQUWVWEOWDZJX-UHFFFAOYSA-N 1 0 350.422 2.297 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)Cc2csc(-c3ccoc3)n2)c1C#N ZINC000133429053 326608601 /nfs/dbraw/zinc/60/86/01/326608601.db2.gz ZXYKGDVRIBKOFI-UHFFFAOYSA-N 1 0 370.438 2.331 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2c(F)c(F)cc(F)c2F)c1C#N ZINC000133583652 326611300 /nfs/dbraw/zinc/61/13/00/326611300.db2.gz NNQURCISQOAKOB-UHFFFAOYSA-N 1 0 355.295 2.242 20 30 FEEDRO N#Cc1cccc(CNC(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)c1 ZINC000137231466 326659148 /nfs/dbraw/zinc/65/91/48/326659148.db2.gz RMNNGFGYHDHLKJ-OALUTQOASA-N 1 0 356.470 2.125 20 30 FEEDRO C[C@H](Oc1ccccc1C#N)C(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C ZINC000150850176 326669499 /nfs/dbraw/zinc/66/94/99/326669499.db2.gz TXWJEYRMBDTHAB-ZDUSSCGKSA-N 1 0 366.421 2.125 20 30 FEEDRO Cc1cccc(S(=O)(=O)N(CC[NH+](C)C)Cc2ccccn2)c1C#N ZINC000157341113 326862595 /nfs/dbraw/zinc/86/25/95/326862595.db2.gz GPLGGIIFFZYAMY-UHFFFAOYSA-N 1 0 358.467 2.014 20 30 FEEDRO CC(C)Oc1ccc(NC(=O)C(=O)NCC[NH+]2CCCCCC2)cc1C#N ZINC000160183027 326956226 /nfs/dbraw/zinc/95/62/26/326956226.db2.gz RNCPJUPVNBALEU-UHFFFAOYSA-N 1 0 372.469 2.276 20 30 FEEDRO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)Nc1ccc([N+](=O)[O-])c(C#N)c1 ZINC000166742954 327082884 /nfs/dbraw/zinc/08/28/84/327082884.db2.gz HDFULOFHJLCIDK-HNNXBMFYSA-N 1 0 366.425 2.484 20 30 FEEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)COc1ccc(C=O)cc1 ZINC000171401994 327137344 /nfs/dbraw/zinc/13/73/44/327137344.db2.gz CNIYWBRMOGEAKY-UHFFFAOYSA-N 1 0 365.433 2.340 20 30 FEEDRO COCCNS(=O)(=O)c1cccc(C[NH2+][C@H](C)c2ccc(C#N)cc2)c1 ZINC000174109461 327306890 /nfs/dbraw/zinc/30/68/90/327306890.db2.gz TZWXUOMBXDJGLX-OAHLLOKOSA-N 1 0 373.478 2.334 20 30 FEEDRO CC(C)[C@@H](C(=O)NCCOc1ccc(C#N)cc1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000174158259 327309337 /nfs/dbraw/zinc/30/93/37/327309337.db2.gz MCQDARZPZYQQHC-FCEWJHQRSA-N 1 0 359.470 2.187 20 30 FEEDRO CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000174178600 327310846 /nfs/dbraw/zinc/31/08/46/327310846.db2.gz FHMYXBQSBLLGHV-PXNSSMCTSA-N 1 0 371.481 2.142 20 30 FEEDRO C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1)C2 ZINC000174252502 327315626 /nfs/dbraw/zinc/31/56/26/327315626.db2.gz ZWODGDXSIZUZBJ-GOOCMWNKSA-N 1 0 360.845 2.282 20 30 FEEDRO COc1ccc(C[NH2+]CC(=O)N2CCN(c3ccccc3)CC2)cc1C#N ZINC000174318548 327319273 /nfs/dbraw/zinc/31/92/73/327319273.db2.gz XXZXRPSVNDQBQG-UHFFFAOYSA-N 1 0 364.449 2.005 20 30 FEEDRO Cc1cccc(NC(=O)C(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)c1C#N ZINC000174631929 327340144 /nfs/dbraw/zinc/34/01/44/327340144.db2.gz BJSOSPDNWOYCMG-SFHVURJKSA-N 1 0 356.470 2.432 20 30 FEEDRO N#Cc1ccccc1NC(=O)CC[NH+]1CCN(Cc2cccc(O)c2)CC1 ZINC000174660469 327341919 /nfs/dbraw/zinc/34/19/19/327341919.db2.gz FRZRHNVTHNLOGQ-UHFFFAOYSA-N 1 0 364.449 2.410 20 30 FEEDRO Cn1cc(N2CC[NH+](CCC(=O)Nc3ccc(C#N)c(Cl)c3)CC2)cn1 ZINC000174940166 327362631 /nfs/dbraw/zinc/36/26/31/327362631.db2.gz AAFDTSBGFROHLK-UHFFFAOYSA-N 1 0 372.860 2.096 20 30 FEEDRO C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)c3cc(C#N)c[nH]3)cc2)C[C@H](C)O1 ZINC000175269634 327383562 /nfs/dbraw/zinc/38/35/62/327383562.db2.gz KPMCOJKZQLZRMD-GASCZTMLSA-N 1 0 352.438 2.426 20 30 FEEDRO COc1cc(C#N)ccc1OCC(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000247915877 328704744 /nfs/dbraw/zinc/70/47/44/328704744.db2.gz MLURLMSNOOPYEO-CQSZACIVSA-N 1 0 359.451 2.426 20 30 FEEDRO N#Cc1cc(S(=O)(=O)NCC[C@H]2CCC[NH2+]C2)ccc1C(F)(F)F ZINC000262117232 328843417 /nfs/dbraw/zinc/84/34/17/328843417.db2.gz VFIGCEJSSOLZDJ-LLVKDONJSA-N 1 0 361.389 2.245 20 30 FEEDRO C[C@H]([NH3+])[C@@H]1CCCN(S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)C1 ZINC000262157340 328846476 /nfs/dbraw/zinc/84/64/76/328846476.db2.gz ZMMKXQREWXVORQ-WDEREUQCSA-N 1 0 361.389 2.325 20 30 FEEDRO C[NH+](C)CCOc1ccccc1N1CCN(c2cccc(C#N)n2)CC1 ZINC000265565713 329139190 /nfs/dbraw/zinc/13/91/90/329139190.db2.gz KJBVHYYHGHZAQO-UHFFFAOYSA-N 1 0 351.454 2.220 20 30 FEEDRO N#Cc1ccnc(NCc2ccc(C[NH+]3CCC(O)CC3)cc2)c1[N+](=O)[O-] ZINC000268481103 329424847 /nfs/dbraw/zinc/42/48/47/329424847.db2.gz LHZBBIJFEWCAAG-UHFFFAOYSA-N 1 0 367.409 2.430 20 30 FEEDRO C[C@H]([NH2+]C[C@@H](O)c1ccc(C#N)cc1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000271800961 329726377 /nfs/dbraw/zinc/72/63/77/329726377.db2.gz JYWCXMFZOAMQSY-IFXJQAMLSA-N 1 0 373.478 2.193 20 30 FEEDRO CS[C@@H]1CN(CC(=O)Nc2sccc2C#N)C[C@H]1[NH+]1CCCC1 ZINC000274046077 329911006 /nfs/dbraw/zinc/91/10/06/329911006.db2.gz NQMHUBFUEHUQGG-ZIAGYGMSSA-N 1 0 350.513 2.070 20 30 FEEDRO COC(=O)COc1ccc([C@@H](C)[NH2+]CC(=O)Nc2cccc(C#N)c2)cc1 ZINC000274428850 329948016 /nfs/dbraw/zinc/94/80/16/329948016.db2.gz GMGCQQPQAGDSMS-CQSZACIVSA-N 1 0 367.405 2.399 20 30 FEEDRO CCOc1ccc(C#N)cc1NC(=O)C(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC000275857726 330096858 /nfs/dbraw/zinc/09/68/58/330096858.db2.gz LUCUGSASBFLRDZ-AWEZNQCLSA-N 1 0 372.469 2.084 20 30 FEEDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)Nc1ccc(Cl)c(C#N)c1 ZINC000275948802 330105886 /nfs/dbraw/zinc/10/58/86/330105886.db2.gz YODCJAXZNXABJD-LBPRGKRZSA-N 1 0 362.861 2.339 20 30 FEEDRO CCN(CCC[NH+](C)C)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000276166652 330125711 /nfs/dbraw/zinc/12/57/11/330125711.db2.gz GSXGHMQFPRIDPA-GOSISDBHSA-N 1 0 371.485 2.037 20 30 FEEDRO N#Cc1c(Br)cccc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000276316997 330140161 /nfs/dbraw/zinc/14/01/61/330140161.db2.gz SZVFXARGZWNYSV-CYBMUJFWSA-N 1 0 350.260 2.479 20 30 FEEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000294190286 330191310 /nfs/dbraw/zinc/19/13/10/330191310.db2.gz PLYRIODDGSWDSL-FQEVSTJZSA-N 1 0 356.470 2.153 20 30 FEEDRO C[C@@H]1[C@H]([NH2+]Cc2cnc3ccc(C#N)cn23)CC(=O)N1Cc1ccccc1 ZINC000367046814 330210991 /nfs/dbraw/zinc/21/09/91/330210991.db2.gz BXYKYAYJZMAPTE-DNVCBOLYSA-N 1 0 359.433 2.485 20 30 FEEDRO N#Cc1cnn(-c2ccccc2)c1NC(=O)CN1CC[C@]2(C1)CCCOC2 ZINC000367068193 330213352 /nfs/dbraw/zinc/21/33/52/330213352.db2.gz PUQHZGOJBGYHSM-FQEVSTJZSA-N 1 0 365.437 2.185 20 30 FEEDRO Cn1cc([C@H](O)C[C@H]2CCC[N@@H+]2CCC(=O)Nc2ccc(C#N)cc2)cn1 ZINC000371454564 330243474 /nfs/dbraw/zinc/24/34/74/330243474.db2.gz ADTRTRTXAIYSOX-RTBURBONSA-N 1 0 367.453 2.208 20 30 FEEDRO C#C[C@@H](NC(=O)N[C@@H](C)CN1CC[NH+](C)CC1)c1ccc(Cl)cc1F ZINC000805186376 674324907 /nfs/dbraw/zinc/32/49/07/674324907.db2.gz GTQTVUNAUSIGHM-SUMWQHHRSA-N 1 0 366.868 2.089 20 30 FEEDRO CSC1(CNC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)CC[NH+](C)CC1 ZINC000555165006 674350295 /nfs/dbraw/zinc/35/02/95/674350295.db2.gz NPSCOBUMNAZALW-KRWDZBQOSA-N 1 0 369.531 2.192 20 30 FEEDRO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@H](C)C1CCN(CC(F)(F)F)CC1 ZINC000555475365 674363570 /nfs/dbraw/zinc/36/35/70/674363570.db2.gz NDXXKCPVWNSWDB-UONOGXRCSA-N 1 0 362.440 2.247 20 30 FEEDRO COC(=O)c1cc(CN2CCN(c3nccnc3C#N)C[C@@H]2C)c(C)s1 ZINC000155519987 545536764 /nfs/dbraw/zinc/53/67/64/545536764.db2.gz GTDAGGABFGPKIX-LBPRGKRZSA-N 1 0 371.466 2.216 20 30 FEEDRO C[NH+](C)Cc1ccccc1CNS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000156230038 545610137 /nfs/dbraw/zinc/61/01/37/545610137.db2.gz CFWLMHAHXHWOBH-UHFFFAOYSA-N 1 0 374.422 2.007 20 30 FEEDRO N#Cc1cc(F)ccc1S(=O)(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000156399881 545625066 /nfs/dbraw/zinc/62/50/66/545625066.db2.gz QTQXHVQSMVESMJ-UHFFFAOYSA-N 1 0 373.453 2.424 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@H]1CCC[C@H](C(N)=O)C1)C(C)C ZINC000156582189 545637485 /nfs/dbraw/zinc/63/74/85/545637485.db2.gz RGAIHZLITCVIPM-YESZJQIVSA-N 1 0 350.507 2.028 20 30 FEEDRO C[NH+](C)CCCOc1ccc(CNS(=O)(=O)CC2(C#N)CCC2)cc1 ZINC000477539894 561147311 /nfs/dbraw/zinc/14/73/11/561147311.db2.gz CIOBCRRXRQFLPZ-UHFFFAOYSA-N 1 0 365.499 2.130 20 30 FEEDRO C[NH+]=C(NCc1nc(-c2cccc(Cl)c2)no1)N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000159725742 545975452 /nfs/dbraw/zinc/97/54/52/545975452.db2.gz IXBAWPGOWDUVGW-MCIONIFRSA-N 1 0 361.833 2.375 20 30 FEEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159714401 545975676 /nfs/dbraw/zinc/97/56/76/545975676.db2.gz GOXIVMWRAMRANO-BQFCYCMXSA-N 1 0 359.470 2.423 20 30 FEEDRO CC(C)Oc1ccc(NC(=O)C(=O)NCC[NH+]2CCC(C)CC2)cc1C#N ZINC000160176317 546014898 /nfs/dbraw/zinc/01/48/98/546014898.db2.gz DKJAOMWSCZMSJQ-UHFFFAOYSA-N 1 0 372.469 2.132 20 30 FEEDRO COc1ccc(CNC(=[NH2+])NCc2cn(C)nc2C(F)(F)F)cc1OC ZINC000160797947 546073110 /nfs/dbraw/zinc/07/31/10/546073110.db2.gz CTAZWMMPSPCLKU-UHFFFAOYSA-N 1 0 371.363 2.061 20 30 FEEDRO CC(C)Oc1ccc(NC(=O)C(=O)NCC[N@H+](C)C2CCCC2)cc1C#N ZINC000161267164 546114754 /nfs/dbraw/zinc/11/47/54/546114754.db2.gz WYVTYGCVEXLKCX-UHFFFAOYSA-N 1 0 372.469 2.275 20 30 FEEDRO CCC(=O)N1CC[C@H](NC(NCc2nc(C(C)(C)C)cs2)=[NH+]C)C1 ZINC000161308221 546119251 /nfs/dbraw/zinc/11/92/51/546119251.db2.gz CPKNFSLBFCNIJV-LBPRGKRZSA-N 1 0 351.520 2.117 20 30 FEEDRO C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)N(C)Cc1ccc2c(c1)OCO2 ZINC000162233321 546137851 /nfs/dbraw/zinc/13/78/51/546137851.db2.gz PVUNCDLLFDZADI-QGTPRVQTSA-N 1 0 357.454 2.380 20 30 FEEDRO C[NH+]=C(NCc1cn(C)nc1C(F)(F)F)NCc1sc(C)nc1C ZINC000164286249 546149903 /nfs/dbraw/zinc/14/99/03/546149903.db2.gz GDCMYYKTNQEIBJ-UHFFFAOYSA-N 1 0 360.409 2.377 20 30 FEEDRO CN(C)c1cc(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)ccn1 ZINC000479210985 561184802 /nfs/dbraw/zinc/18/48/02/561184802.db2.gz DKZYFEALNRCGOX-UHFFFAOYSA-N 1 0 363.465 2.436 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)CCc2nc3sc(C)c(C)c3c(=O)[nH]2)CC1 ZINC000171714898 546220771 /nfs/dbraw/zinc/22/07/71/546220771.db2.gz VLHWJBWKRSLITD-UHFFFAOYSA-N 1 0 374.510 2.301 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)CCc2cc(OC)c(OC)c(OC)c2)CC1 ZINC000171724988 546222072 /nfs/dbraw/zinc/22/20/72/546222072.db2.gz HZPMIOGABGBWDG-UHFFFAOYSA-N 1 0 362.470 2.412 20 30 FEEDRO Cc1cc(C)cc(N(CCC#N)C(=O)CN2CCC[C@H](OCCO)C2)c1 ZINC000172296420 546244628 /nfs/dbraw/zinc/24/46/28/546244628.db2.gz PPLJHAMMCZFXLE-IBGZPJMESA-N 1 0 359.470 2.023 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cccc(N3CCNC3=O)c2C)CC1 ZINC000173579968 546283332 /nfs/dbraw/zinc/28/33/32/546283332.db2.gz ZBXURPWWPOEXRP-UHFFFAOYSA-N 1 0 356.470 2.295 20 30 FEEDRO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000173737074 546285336 /nfs/dbraw/zinc/28/53/36/546285336.db2.gz NDDBCTJFSKVDER-FCEWJHQRSA-N 1 0 358.461 2.407 20 30 FEEDRO C[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccccc1C#Cc1ccccc1 ZINC000176039556 546394761 /nfs/dbraw/zinc/39/47/61/546394761.db2.gz PKIVPNOUMUGHKH-LJQANCHMSA-N 1 0 361.445 2.235 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000176285382 546427777 /nfs/dbraw/zinc/42/77/77/546427777.db2.gz KCLBQRDGEGWZSZ-LJQANCHMSA-N 1 0 351.491 2.400 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000176285365 546427962 /nfs/dbraw/zinc/42/79/62/546427962.db2.gz KCLBQRDGEGWZSZ-IBGZPJMESA-N 1 0 351.491 2.400 20 30 FEEDRO C[N@H+](CCC(=O)Nc1sccc1C#N)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000177010058 546523068 /nfs/dbraw/zinc/52/30/68/546523068.db2.gz MVODRSQEMIDXTA-KGLIPLIRSA-N 1 0 369.512 2.236 20 30 FEEDRO C=CC[N@@H+](CCC(=O)NC(=O)NCC(F)(F)F)Cc1ccc(OC)cc1 ZINC000177017665 546523951 /nfs/dbraw/zinc/52/39/51/546523951.db2.gz HYNRYFUEQMIOIK-UHFFFAOYSA-N 1 0 373.375 2.461 20 30 FEEDRO COc1cc(C#N)ccc1OCCCC(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000177064459 546535928 /nfs/dbraw/zinc/53/59/28/546535928.db2.gz BBIYEVSACCACPG-GOEBONIOSA-N 1 0 357.454 2.467 20 30 FEEDRO C[C@H]1C[C@@H](NC(=O)CCC(=O)N(CCC#N)c2ccccc2)C[N@@H+]1C1CC1 ZINC000177146142 546554238 /nfs/dbraw/zinc/55/42/38/546554238.db2.gz UAXZLZKGOCONPB-DLBZAZTESA-N 1 0 368.481 2.455 20 30 FEEDRO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)c2cc(C#N)c[nH]2)cc1 ZINC000177460256 546623656 /nfs/dbraw/zinc/62/36/56/546623656.db2.gz VYUFKYLNETZCNW-UHFFFAOYSA-N 1 0 353.426 2.210 20 30 FEEDRO Cc1c(C#N)cccc1NC(=O)C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000178437785 546793772 /nfs/dbraw/zinc/79/37/72/546793772.db2.gz VCWZWBHUZUIOKZ-UHFFFAOYSA-N 1 0 354.454 2.140 20 30 FEEDRO Cc1cc(C)cc(NC(=[NH2+])NCC2CCN(S(=O)(=O)C(F)F)CC2)c1 ZINC000178576393 546814336 /nfs/dbraw/zinc/81/43/36/546814336.db2.gz RTDKVSGIQKSIGB-UHFFFAOYSA-N 1 0 374.457 2.294 20 30 FEEDRO CC(C)(C)n1cc(C#N)cc1NC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000178620022 546821894 /nfs/dbraw/zinc/82/18/94/546821894.db2.gz XCLZGMMNDUVZEB-OAHLLOKOSA-N 1 0 359.474 2.301 20 30 FEEDRO C[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccc(F)c(C#N)c2)[C@@H]1c1ccccc1 ZINC000179475535 546960911 /nfs/dbraw/zinc/96/09/11/546960911.db2.gz GBOYOCNYLHFLBM-MSOLQXFVSA-N 1 0 366.396 2.197 20 30 FEEDRO C=CCNC(=O)C[NH2+][C@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000180035902 547041693 /nfs/dbraw/zinc/04/16/93/547041693.db2.gz VKVQQXSYSOVWMT-CQSZACIVSA-N 1 0 350.484 2.356 20 30 FEEDRO CC(C)[C@@H](CNC(=O)Nc1ccccc1O[C@H](C)C#N)[NH+]1CCN(C)CC1 ZINC000180081928 547049314 /nfs/dbraw/zinc/04/93/14/547049314.db2.gz NTOFQUJCDSLQRE-SJLPKXTDSA-N 1 0 373.501 2.371 20 30 FEEDRO C[C@@H](C#N)Oc1ccccc1NC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000180088204 547050079 /nfs/dbraw/zinc/05/00/79/547050079.db2.gz NEPPJRKETORYHO-JKSUJKDBSA-N 1 0 358.442 2.163 20 30 FEEDRO C#Cc1cccc(NC(=O)C(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000180402577 547101737 /nfs/dbraw/zinc/10/17/37/547101737.db2.gz GRBWDARMSTVDKQ-WBVHZDCISA-N 1 0 353.466 2.376 20 30 FEEDRO C[C@@H](NC(=O)C(=O)Nc1cccc(C#N)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000180413721 547103788 /nfs/dbraw/zinc/10/37/88/547103788.db2.gz ZZWVIJNWKLOPJQ-ZBFHGGJFSA-N 1 0 354.454 2.266 20 30 FEEDRO C=CCNC(=O)CNC(=O)NC[C@@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000180449432 547110442 /nfs/dbraw/zinc/11/04/42/547110442.db2.gz GPMMJYNPCRQXFE-SFHVURJKSA-N 1 0 358.486 2.061 20 30 FEEDRO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2Cc3ccccc3C[C@@H]2C)CC1 ZINC000180685553 547158075 /nfs/dbraw/zinc/15/80/75/547158075.db2.gz IWXFMOGNCHWNNT-PXNSSMCTSA-N 1 0 354.498 2.126 20 30 FEEDRO N#Cc1cccc(NC(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)c1 ZINC000180723763 547166474 /nfs/dbraw/zinc/16/64/74/547166474.db2.gz NLPDTIUVVRVCSU-IBGZPJMESA-N 1 0 350.422 2.447 20 30 FEEDRO COc1ccc(C#N)cc1NC(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000482872273 561262021 /nfs/dbraw/zinc/26/20/21/561262021.db2.gz VKBDCEDYQMJGSE-QAPCUYQASA-N 1 0 371.485 2.057 20 30 FEEDRO Cc1nc(C(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)ccc1C#N ZINC000180872624 547199506 /nfs/dbraw/zinc/19/95/06/547199506.db2.gz YQZKHBPSGZECPZ-LJQANCHMSA-N 1 0 364.449 2.148 20 30 FEEDRO CC#CCCNC(=O)NCc1cccc(OCC[N@H+](C)C2CCOCC2)c1 ZINC000482968513 561264034 /nfs/dbraw/zinc/26/40/34/561264034.db2.gz ALGAOPIGDHXFDI-UHFFFAOYSA-N 1 0 373.497 2.389 20 30 FEEDRO C[C@H]([NH2+]C[C@@]1(N2CCOCC2)CCSC1)c1ccc(OCC#N)cc1 ZINC000181578500 547339027 /nfs/dbraw/zinc/33/90/27/547339027.db2.gz OFKSKSUONGJOFO-LPHOPBHVSA-N 1 0 361.511 2.447 20 30 FEEDRO C[C@@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)[C@@H](C)N1CCOCC1 ZINC000181710302 547364818 /nfs/dbraw/zinc/36/48/18/547364818.db2.gz LRFMQRLUYCKEEH-QZTJIDSGSA-N 1 0 356.514 2.221 20 30 FEEDRO C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000181751961 547374332 /nfs/dbraw/zinc/37/43/32/547374332.db2.gz NEABUQJVIHWYFQ-HZPDHXFCSA-N 1 0 372.469 2.153 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccccc2O[C@H](C)C#N)CC1 ZINC000181781944 547380547 /nfs/dbraw/zinc/38/05/47/547380547.db2.gz WFNQASFIWVWIKU-OAHLLOKOSA-N 1 0 370.453 2.073 20 30 FEEDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)Nc2ccccc2O[C@@H](C)C#N)C1 ZINC000181824616 547387355 /nfs/dbraw/zinc/38/73/55/547387355.db2.gz VGHIJYJVPKZKQU-JKSUJKDBSA-N 1 0 372.469 2.153 20 30 FEEDRO CN1CCN([C@H]2CCCC[N@H+](CCCOc3cccc(C#N)c3)C2)CC1 ZINC000182907735 547570595 /nfs/dbraw/zinc/57/05/95/547570595.db2.gz YQYHDBUTBHIUEI-FQEVSTJZSA-N 1 0 356.514 2.429 20 30 FEEDRO CC(C)[N@H+](CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)C1CC1 ZINC000183167656 547614929 /nfs/dbraw/zinc/61/49/29/547614929.db2.gz XBWLTQQNCACAEA-IBGZPJMESA-N 1 0 358.461 2.407 20 30 FEEDRO COC(=O)CN1CCC([NH2+]CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000183337090 547640470 /nfs/dbraw/zinc/64/04/70/547640470.db2.gz SOQPGMWVWHJDHI-UHFFFAOYSA-N 1 0 354.372 2.284 20 30 FEEDRO C=CC[C@@H](CO)NC(=O)NC[C@H](c1ccccc1OC)[NH+]1CCCCC1 ZINC000183532010 547676073 /nfs/dbraw/zinc/67/60/73/547676073.db2.gz PYJVLWVALHGKQH-FUHWJXTLSA-N 1 0 361.486 2.458 20 30 FEEDRO CCO[C@@H]1COCC[C@H]1[NH2+][C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000484653595 561302480 /nfs/dbraw/zinc/30/24/80/561302480.db2.gz QHFDNLMINSRNKQ-IUIKQTSFSA-N 1 0 351.834 2.322 20 30 FEEDRO C=C(C)[C@H](NC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1)c1ccc(F)c(F)c1 ZINC000184853497 547887172 /nfs/dbraw/zinc/88/71/72/547887172.db2.gz IMRTYYUJGQKBFP-KSSFIOAISA-N 1 0 365.424 2.108 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCSC3(CCOCC3)C2)CC1 ZINC000185685922 548020290 /nfs/dbraw/zinc/02/02/90/548020290.db2.gz SDTQDPNQOMFCKM-UHFFFAOYSA-N 1 0 353.532 2.335 20 30 FEEDRO C=CCSCCNC(=O)N(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000186631756 548162574 /nfs/dbraw/zinc/16/25/74/548162574.db2.gz CPNRAZNAZWVTRN-IBGZPJMESA-N 1 0 363.527 2.184 20 30 FEEDRO C#CCOc1ccccc1NC(=O)N1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC000188119066 548272839 /nfs/dbraw/zinc/27/28/39/548272839.db2.gz FSFXCIDYMLAWKL-UHFFFAOYSA-N 1 0 366.421 2.456 20 30 FEEDRO CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000188210212 548274761 /nfs/dbraw/zinc/27/47/61/548274761.db2.gz HTXRQSSUILCQDM-UHFFFAOYSA-N 1 0 356.470 2.369 20 30 FEEDRO CCN(C[C@H](C)C#N)C(=O)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000189135906 548296542 /nfs/dbraw/zinc/29/65/42/548296542.db2.gz GTINPVAQUNBPRC-MRXNPFEDSA-N 1 0 356.470 2.272 20 30 FEEDRO CCOC(=O)N1CCC(NC(=[NH2+])NC[C@@H]2CCO[C@H]2c2ccccc2)CC1 ZINC000190542952 548327756 /nfs/dbraw/zinc/32/77/56/548327756.db2.gz QHIAJTYIRUOCHI-WMZOPIPTSA-N 1 0 374.485 2.289 20 30 FEEDRO C=C(C)COCCNC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000190582247 548328609 /nfs/dbraw/zinc/32/86/09/548328609.db2.gz PFCKQPVHLRBOCO-LJQANCHMSA-N 1 0 361.486 2.169 20 30 FEEDRO C=CCC[C@H](O)C[N@@H+]1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000191302466 548342676 /nfs/dbraw/zinc/34/26/76/548342676.db2.gz NGSCKVJFVIVPDK-NSHDSACASA-N 1 0 350.410 2.396 20 30 FEEDRO CC(C)(C)n1cc(C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)nn1 ZINC000191576935 548347960 /nfs/dbraw/zinc/34/79/60/548347960.db2.gz XIZDLPBRWJBSDE-UHFFFAOYSA-N 1 0 366.469 2.253 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(Cl)c(OC)c2)CC1 ZINC000193037817 548377437 /nfs/dbraw/zinc/37/74/37/548377437.db2.gz GUBKXDBKBJOMLH-UHFFFAOYSA-N 1 0 351.834 2.054 20 30 FEEDRO C[C@@H]1CCNC(=O)[C@@H]1[NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000193630416 548391508 /nfs/dbraw/zinc/39/15/08/548391508.db2.gz DRTNHWPZSMSBCX-SJKOYZFVSA-N 1 0 374.510 2.331 20 30 FEEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)NC1CC[NH+](CCOC)CC1 ZINC000194622641 548506504 /nfs/dbraw/zinc/50/65/04/548506504.db2.gz MODSCRBVPCMQSL-UHFFFAOYSA-N 1 0 356.470 2.367 20 30 FEEDRO N#Cc1ccc(NC(=O)C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000194629834 548508795 /nfs/dbraw/zinc/50/87/95/548508795.db2.gz XVNSYHUIPCQHRK-GOSISDBHSA-N 1 0 362.433 2.135 20 30 FEEDRO N#Cc1ccccc1/C=C/C(=O)NC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000245570015 548949063 /nfs/dbraw/zinc/94/90/63/548949063.db2.gz AEFLCALIIUISLQ-HRZVIGLNSA-N 1 0 361.445 2.323 20 30 FEEDRO CC(C)[C@H](Oc1ccccc1C#N)C(=O)NCCCC[N@@H+]1CCC[C@H]1CO ZINC000245722525 548982751 /nfs/dbraw/zinc/98/27/51/548982751.db2.gz RKMPQDZFVLUDTR-ICSRJNTNSA-N 1 0 373.497 2.315 20 30 FEEDRO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000246200355 549076008 /nfs/dbraw/zinc/07/60/08/549076008.db2.gz ORXJOHKHOOGZCY-KBPBESRZSA-N 1 0 353.875 2.459 20 30 FEEDRO CNC(=O)[C@@H](C)C[N@H+](C)CC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000246288083 549096891 /nfs/dbraw/zinc/09/68/91/549096891.db2.gz XPUFXXOOWMVHDP-KGLIPLIRSA-N 1 0 362.499 2.191 20 30 FEEDRO C=CCn1cccc1C(=O)NCc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000488461873 561390230 /nfs/dbraw/zinc/39/02/30/561390230.db2.gz OPDUPMVUYITNNE-UHFFFAOYSA-N 1 0 352.482 2.352 20 30 FEEDRO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000246509484 549149745 /nfs/dbraw/zinc/14/97/45/549149745.db2.gz ICQJBCNRXOTPSD-RRQGHBQHSA-N 1 0 363.433 2.114 20 30 FEEDRO C[C@H](Oc1ccccc1C#N)C(=O)NCCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000246554405 549160609 /nfs/dbraw/zinc/16/06/09/549160609.db2.gz UGYCCMUCAQFKNL-ZACQAIPSSA-N 1 0 359.470 2.331 20 30 FEEDRO C[C@H](Oc1ccccc1C#N)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000246682177 549187688 /nfs/dbraw/zinc/18/76/88/549187688.db2.gz MNVDQDAXMPJLPZ-KFKAGJAMSA-N 1 0 371.481 2.210 20 30 FEEDRO CC[NH+](CC)[C@H](C)CNC(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 ZINC000246824843 549222677 /nfs/dbraw/zinc/22/26/77/549222677.db2.gz WTBBDXJGACLPEZ-MJGOQNOKSA-N 1 0 357.502 2.136 20 30 FEEDRO Cc1ncc(S(=O)(=O)NCCC[N@@H+](C)C2CCCCC2)cc1C#N ZINC000489112822 561403680 /nfs/dbraw/zinc/40/36/80/561403680.db2.gz CXUFZPHBALFQGP-UHFFFAOYSA-N 1 0 350.488 2.195 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)NCCC[N@@H+]2CCc3ccccc3C2)cc1F ZINC000489117179 561403764 /nfs/dbraw/zinc/40/37/64/561403764.db2.gz NOEWIKYZXWAECS-UHFFFAOYSA-N 1 0 373.453 2.424 20 30 FEEDRO C[N@@H+]1CCC[C@@H]2CN(S(=O)(=O)c3ccc(C#N)cc3Cl)CC[C@H]21 ZINC000248620343 549469412 /nfs/dbraw/zinc/46/94/12/549469412.db2.gz XVVRFHSNCOLVCE-UKRRQHHQSA-N 1 0 353.875 2.316 20 30 FEEDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)Nc1ccccc1SCCC#N ZINC000249169084 549564011 /nfs/dbraw/zinc/56/40/11/549564011.db2.gz KTRXHHYOBXTAGY-GDBMZVCRSA-N 1 0 374.510 2.429 20 30 FEEDRO CCOCCC[N@@H+]1CC[C@@H](NCC(=O)Nc2cccc(C#N)c2)[C@@H](C)C1 ZINC000249439239 549592756 /nfs/dbraw/zinc/59/27/56/549592756.db2.gz LRFDXEOEUVOULB-QFBILLFUSA-N 1 0 358.486 2.223 20 30 FEEDRO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@@H](C(=O)NCCC)C1 ZINC000250427401 549641602 /nfs/dbraw/zinc/64/16/02/549641602.db2.gz GQHQAGSQOYVVLX-RTBURBONSA-N 1 0 360.498 2.393 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C)[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000252736474 549678071 /nfs/dbraw/zinc/67/80/71/549678071.db2.gz VQTZYKUKMUBYEY-RBUKOAKNSA-N 1 0 361.436 2.171 20 30 FEEDRO C[NH+]=C(NCc1ccc(-n2ccnc2C)c(F)c1)N(C)C[C@H]1CCOC1 ZINC000261703181 549745245 /nfs/dbraw/zinc/74/52/45/549745245.db2.gz UHOZBNFUTILFRF-MRXNPFEDSA-N 1 0 359.449 2.364 20 30 FEEDRO C[NH+]=C(NCc1ccc(-n2ccnc2C)c(F)c1)N(C)C[C@@H]1CCOC1 ZINC000261703177 549745299 /nfs/dbraw/zinc/74/52/99/549745299.db2.gz UHOZBNFUTILFRF-INIZCTEOSA-N 1 0 359.449 2.364 20 30 FEEDRO C/[NH+]=C(/NCc1cn2ccsc2n1)N1CCN([C@H](C)C(F)(F)F)CC1 ZINC000261925730 549770515 /nfs/dbraw/zinc/77/05/15/549770515.db2.gz VSGGEGOSFXTMGF-LLVKDONJSA-N 1 0 374.436 2.040 20 30 FEEDRO C[NH+]=C(NCc1nc(C(C)C)cs1)NCc1nnc2n1CCCCC2 ZINC000262020535 549780475 /nfs/dbraw/zinc/78/04/75/549780475.db2.gz YSTGNHTTWCORFT-UHFFFAOYSA-N 1 0 361.519 2.450 20 30 FEEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)C2(COC)CC[NH2+]CC2)cc1 ZINC000262445281 549820517 /nfs/dbraw/zinc/82/05/17/549820517.db2.gz YPEURHPQUAPEQP-UHFFFAOYSA-N 1 0 371.481 2.456 20 30 FEEDRO COc1cc(CNC(=[NH2+])N[C@@H]2CCOc3ccccc32)cc(OC)c1O ZINC000262545909 549827326 /nfs/dbraw/zinc/82/73/26/549827326.db2.gz RZZQOACAHZYAFD-CQSZACIVSA-N 1 0 357.410 2.338 20 30 FEEDRO CC[NH+]=C(NCc1cccc(-n2cncn2)c1)N[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000262747715 549845767 /nfs/dbraw/zinc/84/57/67/549845767.db2.gz AWOUDWOWQWGNHQ-KZNAEPCWSA-N 1 0 368.485 2.136 20 30 FEEDRO Cc1cc(S(N)(=O)=O)ccc1CNC(=[NH2+])Nc1ccc2c(c1)CCC2 ZINC000262819284 549852832 /nfs/dbraw/zinc/85/28/32/549852832.db2.gz WRAOWGXUHLZAQU-UHFFFAOYSA-N 1 0 358.467 2.058 20 30 FEEDRO CC(C)CCC(=O)NCC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000263845136 549944531 /nfs/dbraw/zinc/94/45/31/549944531.db2.gz AMCOCHOXDVKMTG-UHFFFAOYSA-N 1 0 370.497 2.145 20 30 FEEDRO CCc1cccc(NC(=[NH2+])NCc2cccnc2N2CCN(C)CC2)c1 ZINC000264064763 549974705 /nfs/dbraw/zinc/97/47/05/549974705.db2.gz ARRONMZUYHMVFB-UHFFFAOYSA-N 1 0 352.486 2.323 20 30 FEEDRO COc1ccc(NC(=[NH2+])NC[C@@H](O)COc2cccc(C)c2)cc1OC ZINC000264074643 549975405 /nfs/dbraw/zinc/97/54/05/549975405.db2.gz FHOVCIFIWCOICX-OAHLLOKOSA-N 1 0 359.426 2.179 20 30 FEEDRO COc1ccc(NC(=[NH2+])NCC(C)(C)N2C[C@@H](C)O[C@@H](C)C2)cc1OC ZINC000264123995 549981973 /nfs/dbraw/zinc/98/19/73/549981973.db2.gz RSAPXKKPSJDZJB-OKILXGFUSA-N 1 0 364.490 2.318 20 30 FEEDRO [NH2+]=C(NCc1ccc(S(=O)(=O)N2CCCC2)cc1)NC1CCCCC1 ZINC000264133453 549983311 /nfs/dbraw/zinc/98/33/11/549983311.db2.gz YURMVCMRRLSIIJ-UHFFFAOYSA-N 1 0 364.515 2.208 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)NCc2cccnc2-n2ccnc2C)CC1 ZINC000264420007 549995727 /nfs/dbraw/zinc/99/57/27/549995727.db2.gz QZWRLZJIDITRKB-UHFFFAOYSA-N 1 0 354.458 2.025 20 30 FEEDRO C=CCOc1ccc(/C=C/C(=O)N[C@H](C)CN2CC[NH+](C)CC2)cc1OC ZINC000264463529 549996670 /nfs/dbraw/zinc/99/66/70/549996670.db2.gz SCOJDYIVAWHBBV-UGAXZCSASA-N 1 0 373.497 2.025 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)CCCCN1CCOCC1)C(C)C ZINC000264918126 550003383 /nfs/dbraw/zinc/00/33/83/550003383.db2.gz PCITYZCRTKXJDV-IBGZPJMESA-N 1 0 351.535 2.304 20 30 FEEDRO CCCC[N@H+](C)C[C@H](C)NC(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000491114234 561443016 /nfs/dbraw/zinc/44/30/16/561443016.db2.gz UVHWUTGDWJPJEI-DOTOQJQBSA-N 1 0 359.474 2.236 20 30 FEEDRO COc1ccc(CNC(=[NH2+])NCCc2ccc3c(c2)CCO3)cc1OC ZINC000267388693 550030435 /nfs/dbraw/zinc/03/04/35/550030435.db2.gz CIJVYWQNNYNHDG-UHFFFAOYSA-N 1 0 355.438 2.286 20 30 FEEDRO COc1ccc(CCNC(=[NH2+])NCC[S@](=O)Cc2ccccc2)cc1 ZINC000267401278 550030911 /nfs/dbraw/zinc/03/09/11/550030911.db2.gz GAJOAMUAOHWMEI-VWLOTQADSA-N 1 0 359.495 2.091 20 30 FEEDRO C=C(C)CNC(=[NH2+])NCCCc1nn(-c2ccc(C)cc2)c(N)c1C#N ZINC000267442332 550031729 /nfs/dbraw/zinc/03/17/29/550031729.db2.gz PLYPPBWEGBNFNM-UHFFFAOYSA-N 1 0 351.458 2.048 20 30 FEEDRO COc1ccc(CCNC(=[NH2+])NCC2(SC)CCOCC2)cc1OC ZINC000267477616 550032347 /nfs/dbraw/zinc/03/23/47/550032347.db2.gz ZSUYSPAYYBXXDL-UHFFFAOYSA-N 1 0 367.515 2.063 20 30 FEEDRO N#CCCN(CCN1CCOCC1)C(=O)CCc1ccc2ccccc2n1 ZINC000267717361 550034012 /nfs/dbraw/zinc/03/40/12/550034012.db2.gz AMFBGYISJBLMDE-UHFFFAOYSA-N 1 0 366.465 2.242 20 30 FEEDRO C=C(C)COc1cccc(NC(=O)C(=O)N[C@H]2C[N@H+](C3CC3)C[C@H]2C)c1 ZINC000268169836 550037116 /nfs/dbraw/zinc/03/71/16/550037116.db2.gz LOEXZXPGTARJAX-KDOFPFPSSA-N 1 0 357.454 2.179 20 30 FEEDRO Cc1cc(F)cc2c1ncc(C#N)c2N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000268429419 550064249 /nfs/dbraw/zinc/06/42/49/550064249.db2.gz ZZWQMTYMVABQJF-UHFFFAOYSA-N 1 0 369.444 2.154 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)NCCOc2cc(OC)cc(OC)c2)CC1 ZINC000268734387 550109757 /nfs/dbraw/zinc/10/97/57/550109757.db2.gz ODRQXTGNNWCFOZ-UHFFFAOYSA-N 1 0 363.458 2.032 20 30 FEEDRO C=CCC[C@H]([NH2+]Cc1cccc(S(=O)(=O)NCCOC)c1)C1CC1 ZINC000269739375 550221582 /nfs/dbraw/zinc/22/15/82/550221582.db2.gz VBGDUXMDIJSKLH-SFHVURJKSA-N 1 0 352.500 2.446 20 30 FEEDRO C=CCN1CC[C@H]([NH2+]CC2(c3cc(C)ccc3OC)CCOCC2)C1=O ZINC000493766748 561458096 /nfs/dbraw/zinc/45/80/96/561458096.db2.gz QOIHYMUAUYWBQF-SFHVURJKSA-N 1 0 358.482 2.428 20 30 FEEDRO Cc1cc(C#N)ccc1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000270852723 550314147 /nfs/dbraw/zinc/31/41/47/550314147.db2.gz MCJOXIJFUFOJTF-TZIWHRDSSA-N 1 0 363.461 2.480 20 30 FEEDRO CC(C)(C)OC(=O)C1CCC([NH2+]CCNC(=O)C2N=CC=CC2=O)CC1 ZINC000271069303 550337535 /nfs/dbraw/zinc/33/75/35/550337535.db2.gz LVIFQHPDKDYRHO-MSUUIHNZSA-N 1 0 363.458 2.003 20 30 FEEDRO COCc1nnc(-c2cccc(C(=O)N(CCC#N)CCC[NH+](C)C)c2)o1 ZINC000271906954 550410099 /nfs/dbraw/zinc/41/00/99/550410099.db2.gz CJYCEOWDMLDQSA-UHFFFAOYSA-N 1 0 371.441 2.191 20 30 FEEDRO CC(=O)NC1CCC([NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1 ZINC000272144544 550425208 /nfs/dbraw/zinc/42/52/08/550425208.db2.gz KPQFQALDRAJNDU-UHFFFAOYSA-N 1 0 351.454 2.496 20 30 FEEDRO C=CCN(CCc1ccco1)C(=O)NCCCC[NH+]1CCN(CC)CC1 ZINC000272432794 550447282 /nfs/dbraw/zinc/44/72/82/550447282.db2.gz JMACJDKXXWAYKV-UHFFFAOYSA-N 1 0 362.518 2.437 20 30 FEEDRO C[C@H](C#N)Oc1ccccc1NC(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000272662718 550463856 /nfs/dbraw/zinc/46/38/56/550463856.db2.gz IBDFNBMYHYRDLV-FHLIZLRMSA-N 1 0 372.469 2.477 20 30 FEEDRO C=CCN(CC=C)C(=O)C[NH2+][C@H](CO)c1ccc(Br)cc1 ZINC000273145498 550487208 /nfs/dbraw/zinc/48/72/08/550487208.db2.gz VPOWPXWQKKXWGI-OAHLLOKOSA-N 1 0 353.260 2.273 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)Nc2cc3c(cc2OC)CCC(=O)N3)CC1 ZINC000274462920 550538898 /nfs/dbraw/zinc/53/88/98/550538898.db2.gz MRNYHFCDWFZRNZ-UHFFFAOYSA-N 1 0 358.442 2.352 20 30 FEEDRO COc1ccc(NC(=[NH2+])N[C@H](C)CNC(=O)OC(C)(C)C)cc1OC ZINC000274492169 550540434 /nfs/dbraw/zinc/54/04/34/550540434.db2.gz QWTFRLPLFQZCNI-LLVKDONJSA-N 1 0 352.435 2.344 20 30 FEEDRO CS[C@H]1CN(S(=O)(=O)c2cc(C#N)ccc2C)C[C@H]1[NH+]1CCCC1 ZINC000274851360 550559704 /nfs/dbraw/zinc/55/97/04/550559704.db2.gz UKPGZROMKLSHDB-CVEARBPZSA-N 1 0 365.524 2.067 20 30 FEEDRO C=CCNc1ncc(C(=O)N2C[C@@H](SC)[C@H]([NH+]3CCCC3)C2)s1 ZINC000275112261 550570549 /nfs/dbraw/zinc/57/05/49/550570549.db2.gz LQXGQLSQIXBFOF-TZMCWYRMSA-N 1 0 352.529 2.393 20 30 FEEDRO C#CCN(C(=O)C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1)C1CC1 ZINC000276060446 550576430 /nfs/dbraw/zinc/57/64/30/550576430.db2.gz CAZDEMAUTKITCF-UHFFFAOYSA-N 1 0 369.465 2.114 20 30 FEEDRO C=C[C@@](C)(CC)C(=O)Nc1cccc(S(=O)(=O)NCC[NH+](C)C)c1 ZINC000277195496 550642428 /nfs/dbraw/zinc/64/24/28/550642428.db2.gz XCICDWUKCNLISH-KRWDZBQOSA-N 1 0 353.488 2.067 20 30 FEEDRO C[C@H]1CCN(CCC(=O)Nc2sc3c(c2C#N)CCC3)CC[S@@]1=O ZINC000277268415 550649865 /nfs/dbraw/zinc/64/98/65/550649865.db2.gz RLIKYUFNAZOMDZ-MCFWBGNESA-N 1 0 365.524 2.280 20 30 FEEDRO CS[C@@H]1CN(S(=O)(=O)c2ccc(C#N)c(C)c2)C[C@H]1[NH+]1CCCC1 ZINC000277506527 550678637 /nfs/dbraw/zinc/67/86/37/550678637.db2.gz BDCFQBFNHMVGTB-IAGOWNOFSA-N 1 0 365.524 2.067 20 30 FEEDRO [NH2+]=C(NC[C@@H](CO)Cc1cccc(Br)c1)Nc1ccccn1 ZINC000277508067 550678908 /nfs/dbraw/zinc/67/89/08/550678908.db2.gz WAVFNDDBNJJCAE-ZDUSSCGKSA-N 1 0 363.259 2.422 20 30 FEEDRO N#CCCn1cc(C[NH2+]CC2(N3CCOCC3)CC2)c(-c2ccccc2)n1 ZINC000277521875 550680310 /nfs/dbraw/zinc/68/03/10/550680310.db2.gz SYDZBBPMOQKYPB-UHFFFAOYSA-N 1 0 365.481 2.418 20 30 FEEDRO [NH2+]=C(NCC1(N2CCOCC2)CC1)Nc1ccccc1OC(F)(F)F ZINC000277557501 550684187 /nfs/dbraw/zinc/68/41/87/550684187.db2.gz RJCNOGCDGHARDS-UHFFFAOYSA-N 1 0 358.364 2.177 20 30 FEEDRO CCOC1CC(O)(C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000277686037 550701218 /nfs/dbraw/zinc/70/12/18/550701218.db2.gz JWEIVFPNSRXAGJ-UHFFFAOYSA-N 1 0 354.454 2.483 20 30 FEEDRO CC(C)[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)C[C@H](O)COc1ccccc1 ZINC000277843141 550720651 /nfs/dbraw/zinc/72/06/51/550720651.db2.gz SDBLRDRTJWLZGT-FXAWDEMLSA-N 1 0 361.486 2.191 20 30 FEEDRO CCOC(=O)c1n[nH]c(C2CC[NH+](Cc3ccc(C#N)cc3OC)CC2)n1 ZINC000277853474 550721607 /nfs/dbraw/zinc/72/16/07/550721607.db2.gz SYJQKVJJNYQNBC-UHFFFAOYSA-N 1 0 369.425 2.241 20 30 FEEDRO NC(=[NH+]OCc1nnc2n1CCCC2)c1ccc(N2CCCCC2)cc1 ZINC000278233584 550763527 /nfs/dbraw/zinc/76/35/27/550763527.db2.gz JZHJJFQVLSLBCJ-UHFFFAOYSA-N 1 0 354.458 2.442 20 30 FEEDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)CSc1ccc(C#N)cc1 ZINC000278488518 550791535 /nfs/dbraw/zinc/79/15/35/550791535.db2.gz LRKHVIYSBFPVQO-OAHLLOKOSA-N 1 0 359.495 2.362 20 30 FEEDRO N#Cc1cc(C(=O)NCc2ccccc2CN2CCOCC2)ccc1F ZINC000278567378 550799949 /nfs/dbraw/zinc/79/99/49/550799949.db2.gz ILDQOKQVQHOTLE-UHFFFAOYSA-N 1 0 353.397 2.460 20 30 FEEDRO COC[C@H]([NH2+][C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1)[C@@H]1CCCO1 ZINC000278783864 550821326 /nfs/dbraw/zinc/82/13/26/550821326.db2.gz OMQLBFOZMIVKEI-UVBJJODRSA-N 1 0 351.834 2.322 20 30 FEEDRO C#CCOc1cccc(NC(=O)N2CC[N@H+](C3CCOCC3)C[C@H]2C)c1 ZINC000278889759 550832670 /nfs/dbraw/zinc/83/26/70/550832670.db2.gz QEQKEJDDISHISD-MRXNPFEDSA-N 1 0 357.454 2.416 20 30 FEEDRO COC[C@H]([NH2+][C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)[C@@H]1CCCO1 ZINC000279083276 550852999 /nfs/dbraw/zinc/85/29/99/550852999.db2.gz OHOYSCOAHMCOCE-WBAXXEDZSA-N 1 0 363.433 2.244 20 30 FEEDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)[C@@H]1OC ZINC000279331737 550878468 /nfs/dbraw/zinc/87/84/68/550878468.db2.gz CZOOGSREGTUZPU-SCTDSRPQSA-N 1 0 355.442 2.141 20 30 FEEDRO COC(=O)[C@]1(C)CC[N@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000279356275 550881132 /nfs/dbraw/zinc/88/11/32/550881132.db2.gz GSSTTYVJKOOAOD-LJQANCHMSA-N 1 0 353.426 2.244 20 30 FEEDRO N#CCCn1cc(C[NH+]2CCC(CCC(N)=O)CC2)c(-c2ccncc2)n1 ZINC000279487144 550895819 /nfs/dbraw/zinc/89/58/19/550895819.db2.gz XQIBGXKYJXMILU-UHFFFAOYSA-N 1 0 366.469 2.336 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N2CCCC[C@@H]2C(=O)OCc2ccccc2)CC1 ZINC000279807023 550931196 /nfs/dbraw/zinc/93/11/96/550931196.db2.gz ZHDVRWCFBBMDJM-HXUWFJFHSA-N 1 0 368.477 2.456 20 30 FEEDRO C[C@]1(O)CCC[N@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC1 ZINC000279877828 550938774 /nfs/dbraw/zinc/93/87/74/550938774.db2.gz CJSAKBSJIRNPMG-SFHVURJKSA-N 1 0 368.399 2.410 20 30 FEEDRO C[C@H]1C[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@@]2(CCOC2)O1 ZINC000280333338 550981851 /nfs/dbraw/zinc/98/18/51/550981851.db2.gz HUOBDUJBMNNMEH-SCLBCKFNSA-N 1 0 363.845 2.420 20 30 FEEDRO COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)[C@H]1C ZINC000280658996 551018525 /nfs/dbraw/zinc/01/85/25/551018525.db2.gz STEBVUZLLLQKRW-UDTPNQRGSA-N 1 0 369.465 2.227 20 30 FEEDRO COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)[C@@H]1C ZINC000280658964 551018634 /nfs/dbraw/zinc/01/86/34/551018634.db2.gz STEBVUZLLLQKRW-GRGSLBFTSA-N 1 0 369.465 2.227 20 30 FEEDRO CNC(=O)[C@@]1(C)CC[N@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)C1 ZINC000280721271 551024993 /nfs/dbraw/zinc/02/49/93/551024993.db2.gz IAVYEFXCZRWCMB-SFHVURJKSA-N 1 0 362.861 2.045 20 30 FEEDRO Cc1oc(C#N)cc1C(=O)Nc1ccc(OCCN2CC[NH+](C)CC2)cc1 ZINC000280739232 551026920 /nfs/dbraw/zinc/02/69/20/551026920.db2.gz WRKWBTSKNXQYAP-UHFFFAOYSA-N 1 0 368.437 2.338 20 30 FEEDRO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000280897307 551043746 /nfs/dbraw/zinc/04/37/46/551043746.db2.gz FUGVACIYOHUASO-RTBURBONSA-N 1 0 357.498 2.366 20 30 FEEDRO Cc1oc(C#N)cc1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000280981146 551051536 /nfs/dbraw/zinc/05/15/36/551051536.db2.gz DAXMPDQRMHVQNY-QFBILLFUSA-N 1 0 353.422 2.073 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000281311876 551083436 /nfs/dbraw/zinc/08/34/36/551083436.db2.gz ILFJASLFTCUFDL-UXHICEINSA-N 1 0 357.498 2.145 20 30 FEEDRO CC[C@@H]1CN(CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CCCO1 ZINC000281433130 551096845 /nfs/dbraw/zinc/09/68/45/551096845.db2.gz PLNLWZUJFGUGST-QGZVFWFLSA-N 1 0 353.426 2.183 20 30 FEEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000281940761 551160552 /nfs/dbraw/zinc/16/05/52/551160552.db2.gz LFOKJODWMLEMBG-UHFFFAOYSA-N 1 0 374.529 2.419 20 30 FEEDRO N#CC1CCC(CNC(=O)NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)CC1 ZINC000282107149 551181188 /nfs/dbraw/zinc/18/11/88/551181188.db2.gz ZWTRFWRWEGWSTA-LBXVMSDZSA-N 1 0 370.497 2.035 20 30 FEEDRO C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)NCC1CCC(C#N)CC1 ZINC000282424714 551226748 /nfs/dbraw/zinc/22/67/48/551226748.db2.gz YMRVHRIEDFYGBL-UHFFFAOYSA-N 1 0 357.458 2.299 20 30 FEEDRO C[NH+]1CCN(Cc2ccc(C(=O)NCC3CCC(C#N)CC3)cc2)CC1 ZINC000282514058 551240381 /nfs/dbraw/zinc/24/03/81/551240381.db2.gz ZFMMODVNAOJGDV-UHFFFAOYSA-N 1 0 354.498 2.494 20 30 FEEDRO C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCC(N2CCc3cc(F)ccc32)CC1 ZINC000282612755 551251837 /nfs/dbraw/zinc/25/18/37/551251837.db2.gz ZAHCRZXCERORFA-HNNXBMFYSA-N 1 0 358.461 2.413 20 30 FEEDRO COCCCn1nccc1C[NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000282666806 551257506 /nfs/dbraw/zinc/25/75/06/551257506.db2.gz NIUVJSSQCPJODY-IBGZPJMESA-N 1 0 367.453 2.076 20 30 FEEDRO C[C@@H](NC(=O)c1cc(C#N)ccn1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000282938124 551287313 /nfs/dbraw/zinc/28/73/13/551287313.db2.gz DGKADCXDPBPKFV-CQSZACIVSA-N 1 0 367.428 2.335 20 30 FEEDRO C[C@H](NC(=O)C(=O)NC[C@H](c1ccccc1)[NH+](C)C)c1ccc(C#N)cc1 ZINC000283136237 551317357 /nfs/dbraw/zinc/31/73/57/551317357.db2.gz BJZDDWCFCZCLMT-HNAYVOBHSA-N 1 0 364.449 2.155 20 30 FEEDRO C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000283478686 551373494 /nfs/dbraw/zinc/37/34/94/551373494.db2.gz BWJWTTOHGCNIMB-KRWDZBQOSA-N 1 0 374.533 2.258 20 30 FEEDRO C=C(C)Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000283550626 551386286 /nfs/dbraw/zinc/38/62/86/551386286.db2.gz IDHPARYNMGGFQR-KRWDZBQOSA-N 1 0 374.533 2.305 20 30 FEEDRO C=C(C)Cn1c(-c2cccn2C)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000283667531 551406058 /nfs/dbraw/zinc/40/60/58/551406058.db2.gz QVABHJQPXRFWSE-QGZVFWFLSA-N 1 0 370.501 2.018 20 30 FEEDRO C[N@@H+]1CCN(CCCNC(=O)c2cc(C#N)ccn2)[C@H](c2ccccc2)C1 ZINC000283733212 551418679 /nfs/dbraw/zinc/41/86/79/551418679.db2.gz MBBHZARBEXVDEG-FQEVSTJZSA-N 1 0 363.465 2.062 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC(C)(C)Cc3oc(C)cc32)CC1 ZINC000283888021 551444421 /nfs/dbraw/zinc/44/44/21/551444421.db2.gz FTKCUBDUQAFUAM-KRWDZBQOSA-N 1 0 373.497 2.484 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC(C)(C)Cc3oc(C)cc32)CC1 ZINC000283888032 551444600 /nfs/dbraw/zinc/44/46/00/551444600.db2.gz FTKCUBDUQAFUAM-QGZVFWFLSA-N 1 0 373.497 2.484 20 30 FEEDRO CCCC[N@H+](C)CC1CCN(C(=O)C(=O)NCc2cccc(C#N)c2)CC1 ZINC000283960322 551457827 /nfs/dbraw/zinc/45/78/27/551457827.db2.gz KYGJNMPMQJCHHD-UHFFFAOYSA-N 1 0 370.497 2.145 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N(C)[C@@H](C)c1cccnc1)C(C)C ZINC000284062452 551476823 /nfs/dbraw/zinc/47/68/23/551476823.db2.gz NLKUCCUFEAULST-PKOBYXMFSA-N 1 0 372.513 2.416 20 30 FEEDRO C[C@@H](NC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCCC1)c1ccc(C#N)cc1 ZINC000284143879 551491725 /nfs/dbraw/zinc/49/17/25/551491725.db2.gz WTAUTPAXLNZGCG-APWZRJJASA-N 1 0 368.481 2.212 20 30 FEEDRO C=CCCCN(C)C(=O)C(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000284509261 551565740 /nfs/dbraw/zinc/56/57/40/551565740.db2.gz SQFSRGGZXDJSCZ-IBGZPJMESA-N 1 0 373.497 2.373 20 30 FEEDRO CCS(=O)(=O)c1ccc([C@H](C)[NH2+]CC(=O)N[C@](C)(C#N)C(C)C)cc1 ZINC000284652034 551599049 /nfs/dbraw/zinc/59/90/49/551599049.db2.gz FINRHYUSTOQDEV-KBXCAEBGSA-N 1 0 365.499 2.185 20 30 FEEDRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)N(C)Cc1ccc(C#N)cc1 ZINC000284804498 551638052 /nfs/dbraw/zinc/63/80/52/551638052.db2.gz WZIPABWTJXHTEL-QGZVFWFLSA-N 1 0 370.497 2.287 20 30 FEEDRO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@@H]1[C@@H]1COCC[C@]1(C)O ZINC000284900332 551662426 /nfs/dbraw/zinc/66/24/26/551662426.db2.gz SZAIPFKBNIHKBZ-GBYFWLHCSA-N 1 0 357.454 2.137 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)COCc1nnc(C)s1)C(C)C ZINC000285487169 551764237 /nfs/dbraw/zinc/76/42/37/551764237.db2.gz ILJJHUKMCANHQH-HNNXBMFYSA-N 1 0 352.504 2.178 20 30 FEEDRO COC[C@@](C)(C#N)NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC000285589342 551779353 /nfs/dbraw/zinc/77/93/53/551779353.db2.gz HSSKIPZLSVVWPJ-DOTOQJQBSA-N 1 0 351.397 2.189 20 30 FEEDRO CCC[C@@]1([NH2+]CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CCOC1 ZINC000285695114 551796356 /nfs/dbraw/zinc/79/63/56/551796356.db2.gz VOMTVSHNDYQVON-LJQANCHMSA-N 1 0 353.426 2.231 20 30 FEEDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)C3CCN(c4ccc(C#N)cc4F)CC3)[C@@H]2C1 ZINC000285734632 551802761 /nfs/dbraw/zinc/80/27/61/551802761.db2.gz GRMBDRRHMPWPJR-OXQOHEQNSA-N 1 0 370.472 2.466 20 30 FEEDRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(C)(C)c2cc(F)cc(C#N)c2)CC1 ZINC000285751168 551805020 /nfs/dbraw/zinc/80/50/20/551805020.db2.gz YVWUWVWYURYWKT-MRXNPFEDSA-N 1 0 374.504 2.365 20 30 FEEDRO N#CCCCCNC(=O)C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000285818555 551814851 /nfs/dbraw/zinc/81/48/51/551814851.db2.gz XRCMHPNUIHAXRC-UHFFFAOYSA-N 1 0 370.497 2.489 20 30 FEEDRO N#Cc1ccnc(N2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)c1 ZINC000286095926 551847945 /nfs/dbraw/zinc/84/79/45/551847945.db2.gz FBIMMLLGBDTNAJ-IBGZPJMESA-N 1 0 362.481 2.387 20 30 FEEDRO N#Cc1ccccc1NC(=O)CC[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H](CO)C1 ZINC000286294253 551870919 /nfs/dbraw/zinc/87/09/19/551870919.db2.gz CEHZIFIRUSXSQQ-ZIAGYGMSSA-N 1 0 355.360 2.380 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H](c2ccc(F)c(C)c2)C2CC2)CC1 ZINC000286626909 551908173 /nfs/dbraw/zinc/90/81/73/551908173.db2.gz MDONLGDSTBWEFT-IBGZPJMESA-N 1 0 373.472 2.468 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H]2Cc2ccccc2)CC1 ZINC000286692390 551915353 /nfs/dbraw/zinc/91/53/53/551915353.db2.gz PLFHBSKLJCDPGB-FQEVSTJZSA-N 1 0 369.509 2.377 20 30 FEEDRO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCC[C@@](F)(CO)C1 ZINC000286737327 551920438 /nfs/dbraw/zinc/92/04/38/551920438.db2.gz DIQSEFMIQHKGQG-KSSFIOAISA-N 1 0 351.397 2.257 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(C)[C@@H]2CCc3ccccc32)CC1 ZINC000286808985 551928151 /nfs/dbraw/zinc/92/81/51/551928151.db2.gz VMJBNSJOIKHPKF-LJQANCHMSA-N 1 0 355.482 2.289 20 30 FEEDRO C=CCN(CC=C)C(=O)C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000287018007 551952235 /nfs/dbraw/zinc/95/22/35/551952235.db2.gz JNUSAHBCUUPTDI-INIZCTEOSA-N 1 0 361.511 2.277 20 30 FEEDRO C=C(CNC(=O)NCc1cccnc1N1CC[NH+](C)CC1)c1ccccc1 ZINC000287023874 551953059 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OIGITDWJWBTANC-IRXDYDNUSA-N 1 0 357.498 2.294 20 30 FEEDRO C#C[C@@H](NC(=O)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1)C(C)(C)C ZINC000288334028 552135366 /nfs/dbraw/zinc/13/53/66/552135366.db2.gz HVMSTMGDPDDZBI-GOSISDBHSA-N 1 0 355.482 2.428 20 30 FEEDRO C=CCCCNC(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000288561929 552175497 /nfs/dbraw/zinc/17/54/97/552175497.db2.gz JXUCNJSNOVHHGS-SFHVURJKSA-N 1 0 357.498 2.486 20 30 FEEDRO CCCC[N@H+](C)C[C@H](C)NC(=O)C(=O)Nc1ccc(C#N)cc1Cl ZINC000288658728 552193320 /nfs/dbraw/zinc/19/33/20/552193320.db2.gz AMUGKXNLGXOFJM-LBPRGKRZSA-N 1 0 350.850 2.387 20 30 FEEDRO Cn1cnc2c1nccc2C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000288660621 552193698 /nfs/dbraw/zinc/19/36/98/552193698.db2.gz OYKKWGVFGPIYQF-UHFFFAOYSA-N 1 0 362.437 2.044 20 30 FEEDRO C[C@H]1CC[C@@H](CNC(=O)C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)C1 ZINC000499916502 561561606 /nfs/dbraw/zinc/56/16/06/561561606.db2.gz RVSAGCLOZBCJGN-QFBILLFUSA-N 1 0 370.497 2.001 20 30 FEEDRO C=C(C)CN(CC)C(=O)C(=O)N[C@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000289051329 552258352 /nfs/dbraw/zinc/25/83/52/552258352.db2.gz BZYVBDKCLNYJGW-DLBZAZTESA-N 1 0 365.424 2.251 20 30 FEEDRO C=CCN(C)C(=O)C(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000289532829 552336432 /nfs/dbraw/zinc/33/64/32/552336432.db2.gz DXGKHCLHNVHLMY-CJNGLKHVSA-N 1 0 367.852 2.233 20 30 FEEDRO C=CCCCNC(=O)C(=O)N(CC)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000289813152 552382741 /nfs/dbraw/zinc/38/27/41/552382741.db2.gz RIKVKOWWGXSAPQ-IBGZPJMESA-N 1 0 357.498 2.439 20 30 FEEDRO C=CCn1c(-c2ccccn2)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC000290091824 552426072 /nfs/dbraw/zinc/42/60/72/552426072.db2.gz DNLIERNCCCCJSX-INIZCTEOSA-N 1 0 368.485 2.216 20 30 FEEDRO COCC[C@@H]1COCC[N@@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000291310990 552613402 /nfs/dbraw/zinc/61/34/02/552613402.db2.gz SWWGZCOYHMAXBH-OAHLLOKOSA-N 1 0 351.834 2.278 20 30 FEEDRO C[C@H](c1ccccc1)[C@@H]([NH2+]CCC(=O)Nc1ccc(C#N)cc1)C(N)=O ZINC000292046155 552688065 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C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(OC2CCCC2)cc1 ZINC000293404477 552820023 /nfs/dbraw/zinc/82/00/23/552820023.db2.gz ORFDRDDBSNIFPL-UHFFFAOYSA-N 1 0 357.454 2.018 20 30 FEEDRO CC[N@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1)[C@@H](C)CO ZINC000293501436 552830353 /nfs/dbraw/zinc/83/03/53/552830353.db2.gz UNBMJKOSSOJYSR-ZDUSSCGKSA-N 1 0 358.442 2.259 20 30 FEEDRO N#Cc1ccc(O[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)C2)nc1 ZINC000293734897 552851422 /nfs/dbraw/zinc/85/14/22/552851422.db2.gz NPWGZCONMBZPKE-MSOLQXFVSA-N 1 0 354.454 2.340 20 30 FEEDRO N#Cc1ccc(NC(=O)C(=O)NCC[NH+]2CCC3(CCCCC3)CC2)nc1 ZINC000293821995 552859497 /nfs/dbraw/zinc/85/94/97/552859497.db2.gz WMDBHIKWQVPBQW-UHFFFAOYSA-N 1 0 369.469 2.054 20 30 FEEDRO C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)NCCCCC[NH+]1CCCC1 ZINC000293863345 552863433 /nfs/dbraw/zinc/86/34/33/552863433.db2.gz ZRHGTBCIUNCKFN-MRXNPFEDSA-N 1 0 372.469 2.298 20 30 FEEDRO COCCOC1(C[NH2+]Cc2ccc(N(C)CCC#N)cc2)CCOCC1 ZINC000294741676 552930655 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N#Cc1cc(Br)ccc1CN1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000295333173 552988959 /nfs/dbraw/zinc/98/89/59/552988959.db2.gz MOSSIPHUIXWGNY-NSHDSACASA-N 1 0 363.215 2.377 20 30 FEEDRO C[C@@H]1C[NH+](CC2CCN(c3ncc(C#N)cc3[N+](=O)[O-])CC2)C[C@@H](C)O1 ZINC000295417341 553003340 /nfs/dbraw/zinc/00/33/40/553003340.db2.gz DRXHVEIPQQJAGJ-ZIAGYGMSSA-N 1 0 359.430 2.187 20 30 FEEDRO C=C(C)CN(CC)C(=O)C[NH+]1CCC(n2cc(C(=O)OCC)cn2)CC1 ZINC000295481860 553013880 /nfs/dbraw/zinc/01/38/80/553013880.db2.gz GPBXLCZWGBRRNQ-UHFFFAOYSA-N 1 0 362.474 2.121 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc3cnccc3c2)CC1 ZINC000296210273 553123097 /nfs/dbraw/zinc/12/30/97/553123097.db2.gz DLVZTNFKGCOVRL-UHFFFAOYSA-N 1 0 352.438 2.330 20 30 FEEDRO C#CC[N@@H+](C)CCCNC(=O)N[C@@H](C)c1nc(-c2ccc(F)c(C)c2)no1 ZINC000296264044 553131497 /nfs/dbraw/zinc/13/14/97/553131497.db2.gz CCTCFOVIAMUMEE-AWEZNQCLSA-N 1 0 373.432 2.499 20 30 FEEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000296489922 553168625 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CN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000297792440 553339497 /nfs/dbraw/zinc/33/94/97/553339497.db2.gz JMGGIRAQUOKSNA-UHFFFAOYSA-N 1 0 370.497 2.097 20 30 FEEDRO COCC[N@H+](CCO)CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000298296255 553409492 /nfs/dbraw/zinc/40/94/92/553409492.db2.gz XXQDUVPPOAVWAU-CYBMUJFWSA-N 1 0 365.499 2.014 20 30 FEEDRO COc1cc(C#N)ccc1OCCCC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000298498622 553432503 /nfs/dbraw/zinc/43/25/03/553432503.db2.gz MMFVHQMEAIRVPP-SJORKVTESA-N 1 0 357.454 2.469 20 30 FEEDRO N#Cc1ccc(CN2CCN(C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@@H]34)CC2)cc1 ZINC000298732664 553465485 /nfs/dbraw/zinc/46/54/85/553465485.db2.gz LXLTXSIMAPPNRE-UXHICEINSA-N 1 0 367.497 2.012 20 30 FEEDRO C[C@@H](C[S@@](C)=O)[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000299064635 553510494 /nfs/dbraw/zinc/51/04/94/553510494.db2.gz SQEMJKQRWVUDMP-BSNNYGBQSA-N 1 0 353.513 2.136 20 30 FEEDRO CS[C@@H]1CN([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C[C@H]1[NH+]1CCCC1 ZINC000299377031 553555295 /nfs/dbraw/zinc/55/52/95/553555295.db2.gz QOXYEFHRRAJOTR-IPMKNSEASA-N 1 0 370.522 2.175 20 30 FEEDRO CCCCCC(=O)NC1CC[NH+](C[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC000299577518 553583868 /nfs/dbraw/zinc/58/38/68/553583868.db2.gz QNTITJVZKJUNQD-LJQANCHMSA-N 1 0 373.497 2.459 20 30 FEEDRO C[NH+](C)[C@@H](CNc1ccc(S(N)(=O)=O)cc1C#N)c1cccc(F)c1 ZINC000301326706 553642567 /nfs/dbraw/zinc/64/25/67/553642567.db2.gz BHARMPWUJHQYSE-KRWDZBQOSA-N 1 0 362.430 2.060 20 30 FEEDRO C=CC[NH+]1CCC(Nc2ncccc2S(=O)(=O)N2CCCCC2)CC1 ZINC000301393313 553648133 /nfs/dbraw/zinc/64/81/33/553648133.db2.gz JBDYGXOQXPEKRE-UHFFFAOYSA-N 1 0 364.515 2.319 20 30 FEEDRO N#Cc1ccc(C(F)(F)F)nc1N1CCC[C@@H]1C[N@H+]1CCC[C@H]1CO ZINC000301576475 553662800 /nfs/dbraw/zinc/66/28/00/553662800.db2.gz YUMQZQGZMKFDHU-KGLIPLIRSA-N 1 0 354.376 2.398 20 30 FEEDRO CCc1nnc(N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)c(C#N)c1CC ZINC000301615799 553666214 /nfs/dbraw/zinc/66/62/14/553666214.db2.gz JGWOZMSNPSTTRU-CALCHBBNSA-N 1 0 370.545 2.468 20 30 FEEDRO N#Cc1cc(C(F)(F)F)ccc1N1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000301906510 553691002 /nfs/dbraw/zinc/69/10/02/553691002.db2.gz AETQUFDZXKHSEI-INIZCTEOSA-N 1 0 366.387 2.496 20 30 FEEDRO Cc1cc(NC(=O)N2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)ncc1C#N ZINC000603119127 553712261 /nfs/dbraw/zinc/71/22/61/553712261.db2.gz XBDMEIWKJPQWSK-IRXDYDNUSA-N 1 0 370.501 2.284 20 30 FEEDRO COc1ccc(CNC(=[NH2+])NCc2ccccc2-n2ccnc2)cc1OC ZINC000303881072 553747035 /nfs/dbraw/zinc/74/70/35/553747035.db2.gz KPGNVUVBAJZSJA-UHFFFAOYSA-N 1 0 365.437 2.494 20 30 FEEDRO CN(C)C(=O)c1cccc(CCNC(=[NH2+])N[C@@H]2CCOc3ccccc32)c1 ZINC000304776833 553747683 /nfs/dbraw/zinc/74/76/83/553747683.db2.gz DHXCSZFBWKKDHO-GOSISDBHSA-N 1 0 366.465 2.359 20 30 FEEDRO C[C@H](CN(C)Cc1ccccc1)[NH2+]C[C@@H](O)COc1ccccc1C#N ZINC000311887790 553755633 /nfs/dbraw/zinc/75/56/33/553755633.db2.gz CRDGHTPDMHUDHT-YLJYHZDGSA-N 1 0 353.466 2.408 20 30 FEEDRO O=C(NCC1([NH+]2CCCC2)CCOCC1)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000328692397 553808268 /nfs/dbraw/zinc/80/82/68/553808268.db2.gz RQLSOQWBUNDPPZ-GVDBMIGSSA-N 1 0 363.502 2.093 20 30 FEEDRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)Nc1nccn1-c1ccccc1 ZINC000328753593 553817240 /nfs/dbraw/zinc/81/72/40/553817240.db2.gz SABMEAZJAWBXJY-OAHLLOKOSA-N 1 0 357.458 2.195 20 30 FEEDRO C[C@@H]1CN(Cc2cccc(CNC(=O)N[C@H]3CCCNC3=O)c2)CCO1 ZINC000328759401 553817489 /nfs/dbraw/zinc/81/74/89/553817489.db2.gz WRPJZBYSZRZEKU-PBHICJAKSA-N 1 0 360.458 2.030 20 30 FEEDRO C[C@H](NC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1)c1ccncc1F ZINC000328760531 553818351 /nfs/dbraw/zinc/81/83/51/553818351.db2.gz XIEUCXPZRJCHJK-LSDHHAIUSA-N 1 0 350.438 2.240 20 30 FEEDRO C[C@H](C(=O)Nc1ccc2c(c1)OCO2)[N@@H+]1CCC[C@@H]1[C@@H]1COCC[C@H]1O ZINC000328844442 553831395 /nfs/dbraw/zinc/83/13/95/553831395.db2.gz VDSQNIDRACGQLN-SLBVQIDZSA-N 1 0 362.426 2.254 20 30 FEEDRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CC[C@@H](C3CCOCC3)C2)C1 ZINC000328868095 553836100 /nfs/dbraw/zinc/83/61/00/553836100.db2.gz XFFAXFLTHUFOFH-QZTJIDSGSA-N 1 0 353.507 2.006 20 30 FEEDRO CN1CC[C@H](NC(=O)N[C@@H]2CCCNC2=O)[C@@H]1c1ccc(F)c(F)c1 ZINC000328936568 553848357 /nfs/dbraw/zinc/84/83/57/553848357.db2.gz FYUDJZSMPYQGPG-ZNMIVQPWSA-N 1 0 352.385 2.333 20 30 FEEDRO CN1CC[C@H]([NH+]2CCC(NC(=O)c3ccnc(OC4CCC4)c3)CC2)C1=O ZINC000329054470 553872587 /nfs/dbraw/zinc/87/25/87/553872587.db2.gz ANWQHKOXQWHYIO-KRWDZBQOSA-N 1 0 372.469 2.013 20 30 FEEDRO CC(C)[C@H](C)NC(=O)[C@@H]1CSCN1C(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000329085337 553877889 /nfs/dbraw/zinc/87/78/89/553877889.db2.gz UEMAMVUDAKSJRQ-MJBXVCDLSA-N 1 0 359.561 2.326 20 30 FEEDRO COC[C@H]1CN(C(=O)NC2CC[NH+](C3CCCC3)CC2)CC(C)(C)O1 ZINC000329095496 553879659 /nfs/dbraw/zinc/87/96/59/553879659.db2.gz XVSRLQJDSXMUAH-QGZVFWFLSA-N 1 0 353.507 2.433 20 30 FEEDRO CCOc1ccc(CC(=O)NC2CC[NH+]([C@@H]3CCN(C)C3=O)CC2)cc1 ZINC000329155094 553890926 /nfs/dbraw/zinc/89/09/26/553890926.db2.gz CHSNKEWREYBVRF-GOSISDBHSA-N 1 0 359.470 2.279 20 30 FEEDRO CN1CC[C@H]([NH+]2CCC(NC(=O)Cc3ccc(F)c(F)c3)CC2)C1=O ZINC000329164521 553892965 /nfs/dbraw/zinc/89/29/65/553892965.db2.gz HAALDGGFBGOLIZ-INIZCTEOSA-N 1 0 351.397 2.159 20 30 FEEDRO C[C@H](Oc1cccc(F)c1)C(=O)NC1CC[NH+]([C@H]2CCN(C)C2=O)CC1 ZINC000329164769 553893680 /nfs/dbraw/zinc/89/36/80/553893680.db2.gz HDEKPFDNZGIMKO-GUYCJALGSA-N 1 0 363.433 2.245 20 30 FEEDRO C[NH+](C)CCC1CCN(C(=O)N[C@@H]2CC(=O)N(C3CCCCC3)C2)CC1 ZINC000329196334 553899903 /nfs/dbraw/zinc/89/99/03/553899903.db2.gz VVCUNSWQRFXLPC-QGZVFWFLSA-N 1 0 364.534 2.498 20 30 FEEDRO O=C(N[C@H]1CC(=O)N(C2CCCCC2)C1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000329195182 553900082 /nfs/dbraw/zinc/90/00/82/553900082.db2.gz VDCOULYOEJSZAS-FUHWJXTLSA-N 1 0 362.518 2.394 20 30 FEEDRO Cc1cc(N2CCC(NC(=O)N3C[C@H]([NH+]4CCCC4)C[C@@H]3C)CC2)n[nH]1 ZINC000329198664 553900466 /nfs/dbraw/zinc/90/04/66/553900466.db2.gz APINSEMFRWGPFS-DOTOQJQBSA-N 1 0 360.506 2.160 20 30 FEEDRO CC[C@H](C)n1nc(NC(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)cc1C ZINC000329222171 553905310 /nfs/dbraw/zinc/90/53/10/553905310.db2.gz VYROBDMCMABWQB-HOCLYGCPSA-N 1 0 363.506 2.989 20 30 FEEDRO Cc1cc(C)n(-c2ccc(NC(=O)NC[C@H]3C[N@@H+](C)CCN3C)cc2F)n1 ZINC000329239283 553908788 /nfs/dbraw/zinc/90/87/88/553908788.db2.gz QFHUUJKZSCMDRN-INIZCTEOSA-N 1 0 374.464 2.200 20 30 FEEDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)N[C@H](c1cnn(C)c1)C(F)(F)F ZINC000329254385 553911673 /nfs/dbraw/zinc/91/16/73/553911673.db2.gz WVIRDVDDUHGBIE-KWCYVHTRSA-N 1 0 359.396 2.496 20 30 FEEDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCO[C@]3(CCCOC3)C2)C1 ZINC000329276953 553915406 /nfs/dbraw/zinc/91/54/06/553915406.db2.gz LKSPHDPGPATBNY-VQIMIIECSA-N 1 0 353.507 2.292 20 30 FEEDRO C[C@H](NC(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21)c1cn(-c2ccccc2)nn1 ZINC000329290051 553918708 /nfs/dbraw/zinc/91/87/08/553918708.db2.gz QHHDPWPUNIASGS-RLFYNMQTSA-N 1 0 354.458 2.268 20 30 FEEDRO CC(C)[C@@H]1CN(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CCO1 ZINC000329301682 553921085 /nfs/dbraw/zinc/92/10/85/553921085.db2.gz WIHNFSFNGLJQQX-KURKYZTESA-N 1 0 353.507 2.025 20 30 FEEDRO COCC[N@@H+]1CC[C@H](NC(=O)C[C@@H]2c3ccccc3CCN2C(C)=O)C1 ZINC000329316248 553923918 /nfs/dbraw/zinc/92/39/18/553923918.db2.gz QNXNJMKKACNFHZ-PKOBYXMFSA-N 1 0 359.470 2.200 20 30 FEEDRO Cc1nc([C@@H]2CN(C(=O)NCC(C)(C)[N@@H+]3CCC[C@H](C)C3)CCO2)no1 ZINC000329318006 553923962 /nfs/dbraw/zinc/92/39/62/553923962.db2.gz HZIOGMJLWCQDRP-ZFWWWQNUSA-N 1 0 365.478 2.176 20 30 FEEDRO CC(C)c1nnc2n1C[C@H]([NH+]=C([O-])N1CCC(c3c[nH]cn3)CC1)CC2 ZINC000329343839 553928832 /nfs/dbraw/zinc/92/88/32/553928832.db2.gz QGZPXFSENUBJFQ-CQSZACIVSA-N 1 0 357.462 2.233 20 30 FEEDRO C=CCc1ccccc1OC[C@@H](O)C[NH+]1CCC2(C[C@H]2C(=O)OC)CC1 ZINC000506558910 561702052 /nfs/dbraw/zinc/70/20/52/561702052.db2.gz BCKGLFKQZZRGIZ-ROUUACIJSA-N 1 0 359.466 2.430 20 30 FEEDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)N[C@@H]1CC(=O)N(C2CCCCC2)C1 ZINC000329375564 553934392 /nfs/dbraw/zinc/93/43/92/553934392.db2.gz KWUGDKUNYIRCIT-JFIYKMOQSA-N 1 0 362.518 2.393 20 30 FEEDRO O=C(NCC(=O)N1CCCC1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000329427054 553944400 /nfs/dbraw/zinc/94/44/00/553944400.db2.gz GREIVJSKIZVCFW-YQQQUEKLSA-N 1 0 370.497 2.308 20 30 FEEDRO CC(C)C[C@@H]1C[C@H](NC(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CCO1 ZINC000329445157 553948509 /nfs/dbraw/zinc/94/85/09/553948509.db2.gz KULGKQWQVDALBJ-NCXUSEDFSA-N 1 0 367.534 2.462 20 30 FEEDRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)C1 ZINC000506703285 561706473 /nfs/dbraw/zinc/70/64/73/561706473.db2.gz RXSXFXXBCXRGDS-OXQOHEQNSA-N 1 0 363.502 2.438 20 30 FEEDRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)C1 ZINC000506703284 561706504 /nfs/dbraw/zinc/70/65/04/561706504.db2.gz RXSXFXXBCXRGDS-OXJNMPFZSA-N 1 0 363.502 2.438 20 30 FEEDRO CC(C)CNC(=O)N1CCC[C@H](C(=O)N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)C1 ZINC000329496083 553957816 /nfs/dbraw/zinc/95/78/16/553957816.db2.gz UUSANCSNNPZWEK-BZSNNMDCSA-N 1 0 364.534 2.354 20 30 FEEDRO CN(C(=O)NC[C@@]1(C)CCOC1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000329533640 553963405 /nfs/dbraw/zinc/96/34/05/553963405.db2.gz KLERJQIHTVRWOU-HXUWFJFHSA-N 1 0 360.502 2.361 20 30 FEEDRO O=C(NC[C@@H]1CCCSC1)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000329536750 553964011 /nfs/dbraw/zinc/96/40/11/553964011.db2.gz LYJOJJUGLYSNRW-USXIJHARSA-N 1 0 355.548 2.401 20 30 FEEDRO CCO[C@@H]1C[C@H](NC(=O)N2CC[NH+](C3CCCC3)CC2)[C@@]12CCCO2 ZINC000329546954 553965880 /nfs/dbraw/zinc/96/58/80/553965880.db2.gz DOUOVVHUYWCCKN-SCTDSRPQSA-N 1 0 351.491 2.187 20 30 FEEDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)NCCc3nccn3Cc3ccccc3)[C@H]2C1 ZINC000329588623 553972541 /nfs/dbraw/zinc/97/25/41/553972541.db2.gz YZKKXRYVRYCCAN-MOPGFXCFSA-N 1 0 367.497 2.414 20 30 FEEDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)N[C@@H]2CCOC3(CCOCC3)C2)C1 ZINC000329591433 553973301 /nfs/dbraw/zinc/97/33/01/553973301.db2.gz ZYFWTHRRMHRUSZ-BRWVUGGUSA-N 1 0 351.491 2.045 20 30 FEEDRO C[C@@H]1CN(C(=O)N[C@H]2C[C@H](C)S(=O)(=O)c3sccc32)C[C@@H]1[NH+](C)C ZINC000329636413 553980219 /nfs/dbraw/zinc/98/02/19/553980219.db2.gz VCYVLFVLLXVJKB-XWUBHJNHSA-N 1 0 371.528 2.151 20 30 FEEDRO C[C@H](NC(=O)C[N@@H+]1CCC2(CCOCC2)[C@@H]1C)C(=O)N1CCCCC1 ZINC000329662446 553984471 /nfs/dbraw/zinc/98/44/71/553984471.db2.gz JCSOGCRLAFKGLC-HOTGVXAUSA-N 1 0 351.491 2.235 20 30 FEEDRO O=C(CNC(=O)c1ccc2c(c1)OCO2)N1CC[NH+](C2CCCCC2)CC1 ZINC000329672900 553985783 /nfs/dbraw/zinc/98/57/83/553985783.db2.gz SQNHNMOWWJNIMO-UHFFFAOYSA-N 1 0 373.453 2.197 20 30 FEEDRO C[N@@H+]1CCC[C@H](CNC(=O)NCC(=O)N2CCCC2)[C@@H]1c1cccs1 ZINC000329686808 553988750 /nfs/dbraw/zinc/98/87/50/553988750.db2.gz BFNBJFXSTDERHS-RHSMWYFYSA-N 1 0 364.515 2.257 20 30 FEEDRO CC(C)c1nc([C@H]2COCCN2C(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)no1 ZINC000329711946 553993594 /nfs/dbraw/zinc/99/35/94/553993594.db2.gz PGZQMMZAWFVDMQ-DZGCQCFKSA-N 1 0 363.462 2.131 20 30 FEEDRO C[N@@H+]1CC[C@H](NC(=O)N2CCC[C@@H]2[C@@H]2COCC[C@@H]2O)[C@H]1c1ccccc1 ZINC000329761662 554001278 /nfs/dbraw/zinc/00/12/78/554001278.db2.gz RSFXGCKGPGOHSH-UHZRXMQZSA-N 1 0 373.497 2.208 20 30 FEEDRO O=C(N[C@@H]1CCN(c2ncccc2Cl)C1)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000329770659 554002773 /nfs/dbraw/zinc/00/27/73/554002773.db2.gz IZEGFCNXISVBBV-BMFZPTHFSA-N 1 0 363.893 2.444 20 30 FEEDRO C[C@H](NC(=O)N1C[C@@H](C)S(=O)(=O)[C@@H](C)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000329770284 554002822 /nfs/dbraw/zinc/00/28/22/554002822.db2.gz IQKYWPUFPHWGQV-XUWVNRHRSA-N 1 0 371.547 2.061 20 30 FEEDRO C[C@@H](NC(=O)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)[C@@H]1CCOC1 ZINC000329777268 554004158 /nfs/dbraw/zinc/00/41/58/554004158.db2.gz OWVPIVAJGOBDMR-KYHPRHEASA-N 1 0 353.507 2.147 20 30 FEEDRO CC1(C)CC(NC(=O)NCCc2cn3c(n2)SCC3)CC(C)(C)[NH2+]1 ZINC000329781853 554004865 /nfs/dbraw/zinc/00/48/65/554004865.db2.gz TVYPTYHBUDXADW-UHFFFAOYSA-N 1 0 351.520 2.344 20 30 FEEDRO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCOCC1 ZINC000329821371 554012457 /nfs/dbraw/zinc/01/24/57/554012457.db2.gz PTLSEANZWLBNDU-ZIFCJYIRSA-N 1 0 373.497 2.286 20 30 FEEDRO Cc1c([C@@H]2[C@H](C(=O)N[C@H]3CC[N@@H+](C4CCCC4)C3)CC(=O)N2C)cnn1C ZINC000329884496 554024682 /nfs/dbraw/zinc/02/46/82/554024682.db2.gz SLQLSYFTMHQBPA-GMBSWORKSA-N 1 0 373.501 2.221 20 30 FEEDRO C[NH+]1CCN(Cc2cccc(NC(=O)c3cc4n(n3)CCCO4)c2)CC1 ZINC000329893332 554025513 /nfs/dbraw/zinc/02/55/13/554025513.db2.gz JLNHJAHDQBSUCX-UHFFFAOYSA-N 1 0 355.442 2.049 20 30 FEEDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCO[C@]2(CCO[C@H]2C)C1 ZINC000329892915 554025840 /nfs/dbraw/zinc/02/58/40/554025840.db2.gz AMRDYEKOIGQCOP-CNMWIUBYSA-N 1 0 353.507 2.147 20 30 FEEDRO CC(=O)N1CCC[C@H](CNC(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)C1 ZINC000329961287 554039891 /nfs/dbraw/zinc/03/98/91/554039891.db2.gz OMQSCLVCPFTLSW-NXHRZFHOSA-N 1 0 364.534 2.402 20 30 FEEDRO CC(C)c1nnc([C@H]2CN(C(=O)N[C@@H](C)C3=CC[N@H+](C)CC3)CCO2)o1 ZINC000329987887 554044541 /nfs/dbraw/zinc/04/45/41/554044541.db2.gz TUAUGDNIELJPHC-DZGCQCFKSA-N 1 0 363.462 2.131 20 30 FEEDRO CC(C)CC[NH+]1CCC(CNC(=O)N2CC[S@](=O)[C@H](C)[C@@H]2C)CC1 ZINC000329997739 554046699 /nfs/dbraw/zinc/04/66/99/554046699.db2.gz RAVJAUQCXHWMGO-DXMSMQRWSA-N 1 0 357.564 2.500 20 30 FEEDRO CO[C@]1(C)CCCN(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC000329998806 554046929 /nfs/dbraw/zinc/04/69/29/554046929.db2.gz SYDGYHZEBVFYDC-QFBILLFUSA-N 1 0 353.507 2.292 20 30 FEEDRO C[C@@H]1CN(C(=O)NC[C@H](c2ccccc2)[NH+](C)C)C[C@]2(CCCOC2)O1 ZINC000330163237 554076830 /nfs/dbraw/zinc/07/68/30/554076830.db2.gz UZZUTOGPDZUORM-POAQFYNOSA-N 1 0 361.486 2.473 20 30 FEEDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)[C@@H](C)S(=O)(=O)C2CCOCC2)C1 ZINC000330171890 554077905 /nfs/dbraw/zinc/07/79/05/554077905.db2.gz XQLMPHIRYMEULG-HUUCEWRRSA-N 1 0 360.520 2.046 20 30 FEEDRO CC[C@H](NC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)c1c(C)nn(C)c1C ZINC000330199559 554083757 /nfs/dbraw/zinc/08/37/57/554083757.db2.gz VPAMUGIYJICNBY-SJORKVTESA-N 1 0 363.506 2.056 20 30 FEEDRO CNC(=O)C1CCC(NC(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC1 ZINC000330212457 554086149 /nfs/dbraw/zinc/08/61/49/554086149.db2.gz KFBKQBNYHFZGJZ-UHFFFAOYSA-N 1 0 362.478 2.621 20 30 FEEDRO CCC[NH+]1CCC(N(C)C(=O)N[C@@H]2CCOC3(CCOCC3)C2)CC1 ZINC000330212814 554086346 /nfs/dbraw/zinc/08/63/46/554086346.db2.gz DXLSDJKSDUPJSG-MRXNPFEDSA-N 1 0 353.507 2.435 20 30 FEEDRO C[C@H](CNC(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C)c1nccs1 ZINC000330228962 554089271 /nfs/dbraw/zinc/08/92/71/554089271.db2.gz PXJDLAAOLUDYGL-KGLIPLIRSA-N 1 0 352.504 2.346 20 30 FEEDRO CC(C)[C@H](CNC(=O)N[C@H]1CCOC2(CCOCC2)C1)[NH+]1CCCC1 ZINC000330246822 554092212 /nfs/dbraw/zinc/09/22/12/554092212.db2.gz YLFCZQLHEVKZNU-IRXDYDNUSA-N 1 0 353.507 2.339 20 30 FEEDRO N#Cc1ccccc1N1CC[NH+](C[C@@H](O)COCc2ccccc2F)CC1 ZINC000507756131 561739872 /nfs/dbraw/zinc/73/98/72/561739872.db2.gz PQNACWXOZWJBCE-LJQANCHMSA-N 1 0 369.440 2.397 20 30 FEEDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)N[C@@H]1CCC[C@@H]2OCC[C@@H]21 ZINC000330272566 554096910 /nfs/dbraw/zinc/09/69/10/554096910.db2.gz XSLLWWGGBYJVJL-DDBAPUKQSA-N 1 0 351.491 2.043 20 30 FEEDRO O=C(CCNC(=O)[C@@H]1CCC[N@@H+]1C1CC1)N1CCN(c2ccccc2)CC1 ZINC000330271704 554097343 /nfs/dbraw/zinc/09/73/43/554097343.db2.gz WIGGFXCHAHIYOM-IBGZPJMESA-N 1 0 370.497 2.309 20 30 FEEDRO CCN1C(=O)CC[C@@H](C(=O)NC2CC[NH+](CC)CC2)[C@@H]1c1cnn(C)c1 ZINC000330290640 554100303 /nfs/dbraw/zinc/10/03/03/554100303.db2.gz FZFZPNKZQSMKTN-AEFFLSMTSA-N 1 0 361.490 2.161 20 30 FEEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCOC3(CCOCC3)C2)C[C@H]1C ZINC000330290624 554100345 /nfs/dbraw/zinc/10/03/45/554100345.db2.gz CLKHLNBYYQRGAM-ZACQAIPSSA-N 1 0 353.507 2.433 20 30 FEEDRO CC[N@@H+]1CCC[C@H](CNC(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000330401979 554116746 /nfs/dbraw/zinc/11/67/46/554116746.db2.gz FOTQPVWHFIIHMU-HUUCEWRRSA-N 1 0 367.515 2.387 20 30 FEEDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)Cc1cc(C#N)ccc1F ZINC000330489376 554128297 /nfs/dbraw/zinc/12/82/97/554128297.db2.gz KKKKSUAAVROHPU-ZNMIVQPWSA-N 1 0 367.490 2.483 20 30 FEEDRO C[NH+](C)C1CCN(CCNC(=O)N[C@@H]2CCO[C@H](C(C)(C)C)C2)CC1 ZINC000330513622 554131931 /nfs/dbraw/zinc/13/19/31/554131931.db2.gz CVQTXLRLWIFQFV-WBVHZDCISA-N 1 0 354.539 2.110 20 30 FEEDRO CC[NH+](CC)C[C@H](C)NC(=O)c1ccc2c(c1)C[C@H](C)N2S(C)(=O)=O ZINC000330584484 554141498 /nfs/dbraw/zinc/14/14/98/554141498.db2.gz WDTUMFMISGHACL-KBPBESRZSA-N 1 0 367.515 2.432 20 30 FEEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2c(C)nn(CCOC)c2C)C[C@H]1C ZINC000330641991 554149851 /nfs/dbraw/zinc/14/98/51/554149851.db2.gz DEUFFFIKMKXWSF-CZUORRHYSA-N 1 0 351.495 2.496 20 30 FEEDRO CC[C@@H]1CN(C(=O)Nc2cccc(C(=O)NC)c2C)CC[N@@H+]1C[C@H](C)O ZINC000330664520 554153207 /nfs/dbraw/zinc/15/32/07/554153207.db2.gz YQGMAUOQMFSARB-DZGCQCFKSA-N 1 0 362.474 2.252 20 30 FEEDRO C[NH+](C)C1(CNC(=O)c2ccc(S(N)(=O)=O)cc2Cl)CCCC1 ZINC000330671730 554155042 /nfs/dbraw/zinc/15/50/42/554155042.db2.gz WTHPXJFJNIHHFS-UHFFFAOYSA-N 1 0 359.879 2.166 20 30 FEEDRO CN(CC[NH+]1CCCC1)S(=O)(=O)c1cccc(Br)c1C#N ZINC000330672837 554155737 /nfs/dbraw/zinc/15/57/37/554155737.db2.gz OLFPUUOANJHDSG-UHFFFAOYSA-N 1 0 372.288 2.037 20 30 FEEDRO CCOc1cc(C(=O)N(C)C)ccc1NC(=O)N1CC[N@H+](C)[C@H](C)[C@@H]1C ZINC000330883358 554182936 /nfs/dbraw/zinc/18/29/36/554182936.db2.gz JTPUPJCJALZPRT-KGLIPLIRSA-N 1 0 362.474 2.357 20 30 FEEDRO Cc1cc(CCNC(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)cc(C)c1O ZINC000330944942 554192264 /nfs/dbraw/zinc/19/22/64/554192264.db2.gz FVMHIFLSUPNTPU-INIZCTEOSA-N 1 0 363.502 2.243 20 30 FEEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cccc(S(C)(=O)=O)c2)C[C@H]1C ZINC000331096595 554212104 /nfs/dbraw/zinc/21/21/04/554212104.db2.gz AMGUWQPHOAINFQ-UKRRQHHQSA-N 1 0 353.488 2.440 20 30 FEEDRO C[N@H+](CCO)C1CCN(C(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000331144302 554220924 /nfs/dbraw/zinc/22/09/24/554220924.db2.gz YNUQWNKGNKSNNV-CHWSQXEVSA-N 1 0 351.413 2.410 20 30 FEEDRO C=CCn1c(-c2ccoc2)nnc1N1CC[NH+](CC2CCOCC2)CC1 ZINC000508999274 561780928 /nfs/dbraw/zinc/78/09/28/561780928.db2.gz VSERIMWEJWIYEN-UHFFFAOYSA-N 1 0 357.458 2.273 20 30 FEEDRO C[C@H](NC(=O)N[C@@H]1CCO[C@@H](c2cncn2C)C1)C(C)(C)C[NH+](C)C ZINC000331213023 554231926 /nfs/dbraw/zinc/23/19/26/554231926.db2.gz KWYGKMPOPZHFNT-SQWLQELKSA-N 1 0 351.495 2.120 20 30 FEEDRO CO[C@H](C)c1nc(CNC(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)cs1 ZINC000331222206 554233027 /nfs/dbraw/zinc/23/30/27/554233027.db2.gz KLCIFIUOZMQHIY-CHWSQXEVSA-N 1 0 370.519 2.042 20 30 FEEDRO Cc1nc(C(=O)NC[C@@H]2CCCC[N@@H+]2CCO)c(Br)s1 ZINC000331313709 554246033 /nfs/dbraw/zinc/24/60/33/554246033.db2.gz CLQHFKNGCMZCIQ-JTQLQIEISA-N 1 0 362.293 2.365 20 30 FEEDRO CN(C)C(=O)C1(CNC(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)CCCC1 ZINC000331319013 554246501 /nfs/dbraw/zinc/24/65/01/554246501.db2.gz KLWRBPHRRWZLRI-HNNXBMFYSA-N 1 0 352.523 2.259 20 30 FEEDRO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000331406974 554259131 /nfs/dbraw/zinc/25/91/31/554259131.db2.gz ULXFKLDGWZOOSU-DOTOQJQBSA-N 1 0 354.454 2.220 20 30 FEEDRO CC1CCC([NH+]2CCN(CC(=O)NCc3ccc(C#N)cc3)CC2)CC1 ZINC000331503034 554276212 /nfs/dbraw/zinc/27/62/12/554276212.db2.gz ZMHXAEYHDWPTOM-UHFFFAOYSA-N 1 0 354.498 2.371 20 30 FEEDRO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)C1 ZINC000331614006 554295221 /nfs/dbraw/zinc/29/52/21/554295221.db2.gz KKDLTLQVHFYTLB-MNEFBYGVSA-N 1 0 356.470 2.370 20 30 FEEDRO C[C@H]1C[N@H+](C)[C@@H](C)CN1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000509439615 561799717 /nfs/dbraw/zinc/79/97/17/561799717.db2.gz XQEHWOFYQYXJNF-GJZGRUSLSA-N 1 0 367.415 2.198 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1C(F)(F)F ZINC000332302077 554420788 /nfs/dbraw/zinc/42/07/88/554420788.db2.gz KWPYXYWMAGZOJY-HUUCEWRRSA-N 1 0 373.400 2.482 20 30 FEEDRO N#CCCCC(=O)N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000332345375 554429338 /nfs/dbraw/zinc/42/93/38/554429338.db2.gz FXKVKGKPHXZRMG-SFHVURJKSA-N 1 0 355.486 2.136 20 30 FEEDRO Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N[C@H](C)C3=CC[N@H+](C)CC3)C2)n1 ZINC000332907604 554541018 /nfs/dbraw/zinc/54/10/18/554541018.db2.gz ONMRMVCKRRHBHW-VQIMIIECSA-N 1 0 367.497 2.245 20 30 FEEDRO C=CCOC[C@@H]1NC(=O)N([C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)C1=O ZINC000348582657 554689928 /nfs/dbraw/zinc/68/99/28/554689928.db2.gz FIMBHIGQDCUEJD-SZMVWBNQSA-N 1 0 357.454 2.020 20 30 FEEDRO C=CCOC[C@H]1NC(=O)N(c2ccc(OCC[NH+]3CCCCC3)cc2)C1=O ZINC000348600973 554691031 /nfs/dbraw/zinc/69/10/31/554691031.db2.gz XTFYRIBCJXABBY-GOSISDBHSA-N 1 0 373.453 2.179 20 30 FEEDRO C=CCOC[C@@H]1NC(=O)N([C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1=O ZINC000348626836 554692461 /nfs/dbraw/zinc/69/24/61/554692461.db2.gz SWPDYTYHOFOLFE-JQHSSLGASA-N 1 0 357.454 2.020 20 30 FEEDRO CC(=O)N1CCC[C@H]1[C@@H]1CCC[N@@H+]1CC(=O)N(CCC#N)c1ccccc1 ZINC000360403454 554873782 /nfs/dbraw/zinc/87/37/82/554873782.db2.gz YBDJRMREDMXXQN-PMACEKPBSA-N 1 0 368.481 2.409 20 30 FEEDRO CO/N=C/c1ccc(C(=O)N2CCC(CC[NH+]3CCOCC3)CC2)cc1 ZINC000360693958 554885436 /nfs/dbraw/zinc/88/54/36/554885436.db2.gz UONQWJWHDRIZED-LTGZKZEYSA-N 1 0 359.470 2.241 20 30 FEEDRO Cn1cc([C@@H](O)C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)cn1 ZINC000360990116 554898888 /nfs/dbraw/zinc/89/88/88/554898888.db2.gz OLBRGKHSRGRWIU-SFHVURJKSA-N 1 0 350.426 2.020 20 30 FEEDRO COc1ccc2c(c1)[C@@H](C)C[N@@H+](CC(=O)N(CCC#N)CCC#N)CC2 ZINC000361190224 554909278 /nfs/dbraw/zinc/90/92/78/554909278.db2.gz KLZMUFKNJASNAW-INIZCTEOSA-N 1 0 354.454 2.313 20 30 FEEDRO N#C[C@H]1CN(C(=O)C2CC[NH+](Cc3ccc(Cl)s3)CC2)CCO1 ZINC000361389220 554920438 /nfs/dbraw/zinc/92/04/38/554920438.db2.gz AZCBGKCAKNBSBE-ZDUSSCGKSA-N 1 0 353.875 2.364 20 30 FEEDRO Cc1c(C#N)cccc1NC(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000362688147 554981096 /nfs/dbraw/zinc/98/10/96/554981096.db2.gz SKARTFMBIZTTSA-KXBFYZLASA-N 1 0 355.486 2.356 20 30 FEEDRO Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N(C)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)n1 ZINC000363170258 555044812 /nfs/dbraw/zinc/04/48/12/555044812.db2.gz FHGLPDIASIVVLW-WDSOQIARSA-N 1 0 369.513 2.419 20 30 FEEDRO Cc1csc(N2CCC(C(=O)N(CCC#N)CCC[NH+](C)C)CC2)n1 ZINC000363463832 555112557 /nfs/dbraw/zinc/11/25/57/555112557.db2.gz CXQUHNHLISAOGW-UHFFFAOYSA-N 1 0 363.531 2.362 20 30 FEEDRO C=CCN(C[C@H](O)COC1CCOCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000363629737 555150378 /nfs/dbraw/zinc/15/03/78/555150378.db2.gz FIKCLUSUWCPZEL-SFTDATJTSA-N 1 0 374.525 2.305 20 30 FEEDRO CC(=O)N1CCC[C@H]1[C@H]1CCC[N@@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC000363634630 555151209 /nfs/dbraw/zinc/15/12/09/555151209.db2.gz VVLQNSIEZUEERR-MOPGFXCFSA-N 1 0 354.454 2.362 20 30 FEEDRO Cc1cc(C)cc(N(CCC#N)C(=O)CN2CCCC[C@@H]2C(=[NH2+])NO)c1 ZINC000363773076 555182510 /nfs/dbraw/zinc/18/25/10/555182510.db2.gz BDFSLAYTFUDTNF-QGZVFWFLSA-N 1 0 357.458 2.361 20 30 FEEDRO C=CC[C@H](CO)NC(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1ccc(OC)cc1 ZINC000363785656 555185912 /nfs/dbraw/zinc/18/59/12/555185912.db2.gz ZMCYNQRELUSNMG-YQVWRLOYSA-N 1 0 361.486 2.314 20 30 FEEDRO C=CCNC(=O)c1ccc(NC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@@H]3C2(C)C)cc1 ZINC000364009140 555232756 /nfs/dbraw/zinc/23/27/56/555232756.db2.gz ZUYTYDVQSKXNAM-GQIGUUNPSA-N 1 0 357.454 2.073 20 30 FEEDRO N#Cc1cccc(CN2C(=O)CC[C@@H]2C(=O)NCC[NH+]2CCCCCC2)c1 ZINC000364045201 555239533 /nfs/dbraw/zinc/23/95/33/555239533.db2.gz UMPYEEYTHZXKCU-LJQANCHMSA-N 1 0 368.481 2.041 20 30 FEEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH2+][C@H]1CSC[C@@H]1C ZINC000512221107 561896347 /nfs/dbraw/zinc/89/63/47/561896347.db2.gz WGZUZWQZHLTZDR-LRDDRELGSA-N 1 0 364.515 2.293 20 30 FEEDRO Cc1cc(NC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)nn1-c1cccc(C#N)c1 ZINC000364506349 555325846 /nfs/dbraw/zinc/32/58/46/555325846.db2.gz GFNYVLZHDLNOFD-GOSISDBHSA-N 1 0 364.453 2.754 20 30 FEEDRO C[C@H](C[NH+]1CCCCC1)NC(=O)[C@H]1CCC(=O)N1Cc1cccc(C#N)c1 ZINC000364715260 555383794 /nfs/dbraw/zinc/38/37/94/555383794.db2.gz CXBVCBBDQSHVIE-VQIMIIECSA-N 1 0 368.481 2.040 20 30 FEEDRO C=CCSCCNC(=O)N1CCC[C@H](N(C)Cc2noc(C)n2)CC1 ZINC000364718920 555384744 /nfs/dbraw/zinc/38/47/44/555384744.db2.gz YATRCLNPGDONRF-HNNXBMFYSA-N 1 0 367.519 2.293 20 30 FEEDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 ZINC000512664801 561911721 /nfs/dbraw/zinc/91/17/21/561911721.db2.gz BMSYKVMHJCBANW-ICSRJNTNSA-N 1 0 369.513 2.280 20 30 FEEDRO CC1CC[NH+](CCNC(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)CC1 ZINC000512671776 561911906 /nfs/dbraw/zinc/91/19/06/561911906.db2.gz GWZFTCLLVPOVAW-HXUWFJFHSA-N 1 0 369.513 2.138 20 30 FEEDRO C=C[C@](C)(CCOC)C(=O)N1CCC(CC[NH+]2CCN(C)CC2)CC1 ZINC000364857262 555416667 /nfs/dbraw/zinc/41/66/67/555416667.db2.gz XGFJHYQTJQKRHF-HXUWFJFHSA-N 1 0 351.535 2.091 20 30 FEEDRO C=CCNC(=O)c1ccc(NC[C@@H]2CCC[N@H+](Cc3cccnc3)C2)nc1 ZINC000364903894 555432279 /nfs/dbraw/zinc/43/22/79/555432279.db2.gz ZFRDTKVLMQNFLZ-SFHVURJKSA-N 1 0 365.481 2.717 20 30 FEEDRO C=CCN(C(=O)c1cncc(OC)n1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000365094173 555484053 /nfs/dbraw/zinc/48/40/53/555484053.db2.gz NCPVUYGOJDVVRQ-KRWDZBQOSA-N 1 0 352.438 2.388 20 30 FEEDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1CCC(=O)Nc1sccc1C#N ZINC000365129586 555491750 /nfs/dbraw/zinc/49/17/50/555491750.db2.gz FBOYDNSAXKWLEX-AWEZNQCLSA-N 1 0 362.499 2.133 20 30 FEEDRO N#Cc1ccc(OC(F)F)c(NC(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000365187259 555505518 /nfs/dbraw/zinc/50/55/18/555505518.db2.gz RIUDYVSVPWBCQS-CHWSQXEVSA-N 1 0 366.368 2.144 20 30 FEEDRO Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)NCC[N@H+]3CCC[C@H](C)C3)C2)n1 ZINC000365751290 555659310 /nfs/dbraw/zinc/65/93/10/555659310.db2.gz JDYRDCGQVIXOKN-QFBILLFUSA-N 1 0 369.513 2.326 20 30 FEEDRO Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N3CCCC[C@H]3C[NH+](C)C)C2)n1 ZINC000365755822 555660462 /nfs/dbraw/zinc/66/04/62/555660462.db2.gz ZDPJQYPTNRXLLX-MOPGFXCFSA-N 1 0 369.513 2.421 20 30 FEEDRO Cc1ncc(C[N@@H+]2CC[C@H](NC(=O)c3cc(C#N)cn3C)[C@@H](C)C2)s1 ZINC000365921335 555702009 /nfs/dbraw/zinc/70/20/09/555702009.db2.gz POWFWMVLVQQJDL-LRDDRELGSA-N 1 0 357.483 2.302 20 30 FEEDRO N#Cc1cccc(CNC(=O)CN(Cc2ccco2)C[C@@H]2CCCO2)c1 ZINC000513643979 561945759 /nfs/dbraw/zinc/94/57/59/561945759.db2.gz YOAWAWFMCVTGIV-IBGZPJMESA-N 1 0 353.422 2.449 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N(C)C1CC[NH+](C2CCOCC2)CC1 ZINC000366676138 555905771 /nfs/dbraw/zinc/90/57/71/555905771.db2.gz DXFJCQQRJHEIHE-APWZRJJASA-N 1 0 365.518 2.252 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N2C[C@H](C)O[C@@]3(CCCOC3)C2)CC1 ZINC000366729640 555919739 /nfs/dbraw/zinc/91/97/39/555919739.db2.gz MPQLCQZAXCIEJV-LPHOPBHVSA-N 1 0 351.491 2.006 20 30 FEEDRO COc1cc(C[NH2+][C@H]2CCN(c3ccccc3C(N)=O)C2)ccc1C#N ZINC000366918897 555969954 /nfs/dbraw/zinc/96/99/54/555969954.db2.gz ANQMCVFGHMFJIA-INIZCTEOSA-N 1 0 350.422 2.034 20 30 FEEDRO Cn1cc([C@@H]2[C@@H](CNc3cc(N)c([N+](=O)[O-])c(C#N)c3)CCC[N@@H+]2C)cn1 ZINC000367732384 556125785 /nfs/dbraw/zinc/12/57/85/556125785.db2.gz ZIBJGIBSKYDJEE-PXAZEXFGSA-N 1 0 369.429 2.277 20 30 FEEDRO C#CC[C@@]1(C(=O)NC[C@@H]2CC[N@@H+](CC)C2)CCCN1C(=O)OC(C)(C)C ZINC000368013530 556195070 /nfs/dbraw/zinc/19/50/70/556195070.db2.gz BLDFEXBEJQXWMJ-JXFKEZNVSA-N 1 0 363.502 2.237 20 30 FEEDRO C[N@@H+]1C[C@@H]2CN(S(=O)(=O)c3ccc(C#N)o3)C[C@@H]2[C@H]1c1ccccc1 ZINC000368619109 556364525 /nfs/dbraw/zinc/36/45/25/556364525.db2.gz NNRQKHMNLLMFOL-UWWQBHOKSA-N 1 0 357.435 2.075 20 30 FEEDRO CC(=O)N1CCC[C@H]1[C@@H]1CCC[N@@H+]1CCC(=O)Nc1sccc1C#N ZINC000368664016 556378519 /nfs/dbraw/zinc/37/85/19/556378519.db2.gz SYGSGPSIMJEJCF-HOTGVXAUSA-N 1 0 360.483 2.424 20 30 FEEDRO C[C@H]([NH2+][C@H]1CCCC[C@@H]1N1CCOCC1)C(=O)Nc1cccc(C#N)c1 ZINC000368949972 556457161 /nfs/dbraw/zinc/45/71/61/556457161.db2.gz KVIOUKZVWGQHKL-SNRMKQJTSA-N 1 0 356.470 2.118 20 30 FEEDRO C=CCNC(=O)C[NH+]1CCC([C@@H]2CCCCCN2C(=O)NC(C)C)CC1 ZINC000369158096 556520570 /nfs/dbraw/zinc/52/05/70/556520570.db2.gz VVSUNIFJPBTYOW-SFHVURJKSA-N 1 0 364.534 2.363 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@@H]2[C@@H]2CCCN2C(C)=O)CC1 ZINC000369433520 556599518 /nfs/dbraw/zinc/59/95/18/556599518.db2.gz FKVQTJYEXUHAMZ-RBUKOAKNSA-N 1 0 362.518 2.212 20 30 FEEDRO C#CCNC(=O)c1ccc(NC[C@H]2CC[N@@H+](C)[C@H]2c2cccs2)nc1 ZINC000369561388 556631438 /nfs/dbraw/zinc/63/14/38/556631438.db2.gz PAUPTKKTTRXFGP-RDTXWAMCSA-N 1 0 354.479 2.611 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)[C@@H]2CCCN(C(=O)c3cccs3)C2)CC1 ZINC000369592032 556641254 /nfs/dbraw/zinc/64/12/54/556641254.db2.gz ODFUTOCBWAKOJG-MRXNPFEDSA-N 1 0 373.522 2.204 20 30 FEEDRO COc1cc(C#N)ccc1OCC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000369683061 556667988 /nfs/dbraw/zinc/66/79/88/556667988.db2.gz VTNSEDIAZLFWJP-UHFFFAOYSA-N 1 0 371.397 2.387 20 30 FEEDRO CCN(CC)C(=O)[C@@H](c1ccccc1)[NH+]1CCC(n2cnc(C#N)n2)CC1 ZINC000369730870 556680015 /nfs/dbraw/zinc/68/00/15/556680015.db2.gz RWOFDJDNFYWQIR-LJQANCHMSA-N 1 0 366.469 2.396 20 30 FEEDRO CCC[C@H]1C[NH2+]CCN1C(=O)NC1CCC(Oc2ncccc2C#N)CC1 ZINC000516432794 562042746 /nfs/dbraw/zinc/04/27/46/562042746.db2.gz DJRSYLVPBLBQCZ-ADKAHSJRSA-N 1 0 371.485 2.427 20 30 FEEDRO Cc1ccc(C#N)c(N2CCC[C@H](C(=O)NCCC[NH+]3CCCC3)C2)n1 ZINC000369936933 556735576 /nfs/dbraw/zinc/73/55/76/556735576.db2.gz NWVNUVGYOUBKKC-SFHVURJKSA-N 1 0 355.486 2.080 20 30 FEEDRO C[C@@H](Oc1ccccc1C#N)C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000516578379 562048977 /nfs/dbraw/zinc/04/89/77/562048977.db2.gz JREDHORYJVNDPV-RPVQJOFSSA-N 1 0 353.397 2.418 20 30 FEEDRO CN1CC[NH+]([C@@H]2CCCCN(C(=O)NCC3CCC(C#N)CC3)C2)CC1 ZINC000370248601 556821480 /nfs/dbraw/zinc/82/14/80/556821480.db2.gz VLKYGBXMGZSKFP-CTWPCTMYSA-N 1 0 361.534 2.128 20 30 FEEDRO C=CCOc1ccccc1CNC(=O)N1CCC[C@@H]1C[N@H+]1CCC[C@@H]1CO ZINC000370304294 556834779 /nfs/dbraw/zinc/83/47/79/556834779.db2.gz XOXAOTTXJAZFQN-RTBURBONSA-N 1 0 373.497 2.382 20 30 FEEDRO CN(CCC#N)c1ccc(C[NH2+][C@H]2CCN(C(=O)c3cccnc3)C2)cc1 ZINC000370522523 556898914 /nfs/dbraw/zinc/89/89/14/556898914.db2.gz LUVHTILPAONKDN-IBGZPJMESA-N 1 0 363.465 2.436 20 30 FEEDRO N#Cc1cccc(OCCC[N@H+]2CCCN(C(=O)[C@@H]3CCCO3)CC2)c1 ZINC000370564923 556909777 /nfs/dbraw/zinc/90/97/77/556909777.db2.gz DKFVKSHDJPHNSQ-IBGZPJMESA-N 1 0 357.454 2.040 20 30 FEEDRO N#Cc1c(Cl)cccc1S(=O)(=O)N1CCC[C@@H]2C[NH2+]CCC[C@H]21 ZINC000370607822 556920469 /nfs/dbraw/zinc/92/04/69/556920469.db2.gz ZDWSVGOEUSZFPU-IUODEOHRSA-N 1 0 353.875 2.364 20 30 FEEDRO CC(C)(Oc1ccc(C#N)cc1)C(=O)NC[C@H]1CCC[C@@H]1[NH+]1CCOCC1 ZINC000370650271 556931365 /nfs/dbraw/zinc/93/13/65/556931365.db2.gz CLWXULNKXDTPGD-MJGOQNOKSA-N 1 0 371.481 2.333 20 30 FEEDRO C=CCOc1ccccc1C(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000370840786 556986442 /nfs/dbraw/zinc/98/64/42/556986442.db2.gz XBVGNQMVQKODHL-SFHVURJKSA-N 1 0 357.498 2.492 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N(CC)[C@@H](c2nccn2C)c2cccnc2)CC1 ZINC000370863637 556994942 /nfs/dbraw/zinc/99/49/42/556994942.db2.gz XHINAKHZRFXIMM-LJQANCHMSA-N 1 0 365.481 2.098 20 30 FEEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N(C)CCC[NH3+] ZINC000517018135 562071483 /nfs/dbraw/zinc/07/14/83/562071483.db2.gz OPYNUGRQMTVIGZ-UHFFFAOYSA-N 1 0 366.421 2.405 20 30 FEEDRO N#C[C@H]1CN(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)CCN1C1CC1 ZINC000370970092 557031075 /nfs/dbraw/zinc/03/10/75/557031075.db2.gz VOBNQUDLEBYGOQ-VQTJNVASSA-N 1 0 367.497 2.205 20 30 FEEDRO C[NH+]1CCC([C@H]2CCN(C(=O)NCCOc3ccc(C#N)cc3)C2)CC1 ZINC000371042174 557055683 /nfs/dbraw/zinc/05/56/83/557055683.db2.gz GXNHQPIKQFVZIH-SFHVURJKSA-N 1 0 356.470 2.310 20 30 FEEDRO Cc1nc(C(=O)NCCC2CC[NH+](C3CCN(C)CC3)CC2)ccc1C#N ZINC000371089919 557072116 /nfs/dbraw/zinc/07/21/16/557072116.db2.gz RCOWNPCVMJMFKL-UHFFFAOYSA-N 1 0 369.513 2.188 20 30 FEEDRO CC1(C)C[C@@H]([NH2+]CCNC(=O)C2N=CC=CC2=O)CN1Cc1ccccc1 ZINC000371277239 557128749 /nfs/dbraw/zinc/12/87/49/557128749.db2.gz HKUMZICZXOLNPL-FTHOYRMOSA-N 1 0 368.481 2.156 20 30 FEEDRO N#C[C@@H]1CN(Cc2c[nH]nc2-c2cccnc2)C[C@@]12C(=O)Nc1ccccc12 ZINC000371465928 557190217 /nfs/dbraw/zinc/19/02/17/557190217.db2.gz JNEQBGFMGHDCTG-IIBYNOLFSA-N 1 0 370.416 2.317 20 30 FEEDRO C[NH+]1CCC(C#N)(NC(=O)c2cnc3c(cnn3Cc3ccccc3)c2)CC1 ZINC000517580184 562092989 /nfs/dbraw/zinc/09/29/89/562092989.db2.gz FFCCPUMMWCLDBW-UHFFFAOYSA-N 1 0 374.448 2.197 20 30 FEEDRO CC(C)CCC(=O)NCC(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000371533228 557212544 /nfs/dbraw/zinc/21/25/44/557212544.db2.gz FIEGGJRZOXEVFV-UHFFFAOYSA-N 1 0 370.497 2.213 20 30 FEEDRO C[C@H](C#N)Oc1ccccc1NC(=O)N1CCC[C@H]1C[N@@H+]1CCC[C@H]1CO ZINC000371609050 557238829 /nfs/dbraw/zinc/23/88/29/557238829.db2.gz UGQVQQDIRFXXFH-IKGGRYGDSA-N 1 0 372.469 2.430 20 30 FEEDRO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[NH2+]C[C@H]2CN(C3CC3)CCO2)cc1 ZINC000371793292 557294792 /nfs/dbraw/zinc/29/47/92/557294792.db2.gz VNORVZCZWGSFDF-PXNSSMCTSA-N 1 0 370.497 2.083 20 30 FEEDRO CCCC[C@H](ON=C(C)C)C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000371995046 557350885 /nfs/dbraw/zinc/35/08/85/557350885.db2.gz WASYRFYRRPLHJQ-FHWLQOOXSA-N 1 0 366.550 2.442 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+]CCc2ccc(F)cc2Cl)nc1 ZINC000518758840 562117782 /nfs/dbraw/zinc/11/77/82/562117782.db2.gz DGSVAGVPUKMWHU-UHFFFAOYSA-N 1 0 367.833 2.352 20 30 FEEDRO C[N@H+](CC#Cc1ccc(F)cc1)C1CCN(CC(=O)N2CCCC2)CC1 ZINC000372184177 557402480 /nfs/dbraw/zinc/40/24/80/557402480.db2.gz CGPZLIJVIGMQMC-UHFFFAOYSA-N 1 0 357.473 2.196 20 30 FEEDRO N#CCc1ccc(CS(=O)(=O)N2CCCc3cc(C[NH3+])ccc32)cc1 ZINC000518977251 562122348 /nfs/dbraw/zinc/12/23/48/562122348.db2.gz GBZXDJCBDXMRFS-UHFFFAOYSA-N 1 0 355.463 2.494 20 30 FEEDRO N#CCN(CC(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1)C1CC1 ZINC000519193810 562126977 /nfs/dbraw/zinc/12/69/77/562126977.db2.gz SKQKPUFPMMSOTF-UHFFFAOYSA-N 1 0 362.477 2.472 20 30 FEEDRO CCN(C[C@@H](C)C#N)C(=O)CN(C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000372525795 557493047 /nfs/dbraw/zinc/49/30/47/557493047.db2.gz YDLVFCFYLQNBPD-QRFRQXIXSA-N 1 0 357.502 2.014 20 30 FEEDRO C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CCC[N@H+](CC(C)(C)O)CC1 ZINC000372575531 557510090 /nfs/dbraw/zinc/51/00/90/557510090.db2.gz YATYNMPENLKLLH-GOSISDBHSA-N 1 0 372.513 2.100 20 30 FEEDRO N#Cc1ccccc1NC(=O)CC[NH+]1CCC(c2nnc3n2CCC3)CC1 ZINC000372577222 557510227 /nfs/dbraw/zinc/51/02/27/557510227.db2.gz FCKBGKWNYCXYBK-UHFFFAOYSA-N 1 0 364.453 2.304 20 30 FEEDRO C#CCNC(=O)[C@@H](C)[NH+]1CCC([C@@H]2CCCCCN2C(=O)C2CC2)CC1 ZINC000372586757 557512964 /nfs/dbraw/zinc/51/29/64/557512964.db2.gz UGYGWJVSWKEHCS-APWZRJJASA-N 1 0 359.514 2.018 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)NCCCCCc2ccccc2)CC1 ZINC000519613581 562137107 /nfs/dbraw/zinc/13/71/07/562137107.db2.gz YRMPHWQZHUKNJX-UHFFFAOYSA-N 1 0 357.498 2.282 20 30 FEEDRO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCC2(CCN(C)C2=O)CC1 ZINC000373172437 557643110 /nfs/dbraw/zinc/64/31/10/557643110.db2.gz JBFQSIPAVPZYLJ-KRWDZBQOSA-N 1 0 368.481 2.266 20 30 FEEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1CC[C@@](O)(C2CC2)C1 ZINC000373240174 557656452 /nfs/dbraw/zinc/65/64/52/557656452.db2.gz CDTOSONFVBHYDP-YWZLYKJASA-N 1 0 357.454 2.177 20 30 FEEDRO C=CCc1cc(CN2C[C@@H](O)C[C@@H]2c2nc(CC)no2)cc(OC)c1O ZINC000373482403 557701911 /nfs/dbraw/zinc/70/19/11/557701911.db2.gz HCKWYRHHWIXDCY-LSDHHAIUSA-N 1 0 359.426 2.383 20 30 FEEDRO CCOC(=O)C1(NC(=O)c2ccc(C(C)(C)C#N)cc2)CC[NH+](C)CC1 ZINC000373538083 557713630 /nfs/dbraw/zinc/71/36/30/557713630.db2.gz MHRIYRKYCPTBCV-UHFFFAOYSA-N 1 0 357.454 2.245 20 30 FEEDRO CN(C1CCN(c2cc[nH+]cc2)CC1)S(=O)(=O)c1ccc(C#N)s1 ZINC000373820340 557766351 /nfs/dbraw/zinc/76/63/51/557766351.db2.gz UXFFMOLPCRCANI-UHFFFAOYSA-N 1 0 362.480 2.304 20 30 FEEDRO C=CC[C@H](CO)[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000520812813 562164259 /nfs/dbraw/zinc/16/42/59/562164259.db2.gz FSEJGQPJSABNBE-VXGBXAGGSA-N 1 0 364.667 2.369 20 30 FEEDRO CN(C(=O)NCC1CCC(C#N)CC1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000374242456 557849290 /nfs/dbraw/zinc/84/92/90/557849290.db2.gz XEWKRPHECZNGRO-FAFZWHIHSA-N 1 0 361.534 2.126 20 30 FEEDRO CC(=O)CCc1ccc(O[C@H](C)C(=O)NC2(C#N)CC[NH+](C)CC2)cc1 ZINC000520991073 562167070 /nfs/dbraw/zinc/16/70/70/562167070.db2.gz DGWFJKDBLNDTDZ-MRXNPFEDSA-N 1 0 357.454 2.080 20 30 FEEDRO N#Cc1ccc(CSCC(=O)N2CCN[C@H](c3ccncc3)C2)cc1 ZINC000374391262 557877578 /nfs/dbraw/zinc/87/75/78/557877578.db2.gz XAZKXYXBNLJAKS-SFHVURJKSA-N 1 0 352.463 2.360 20 30 FEEDRO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N1CCC(C#N)(c2ccccn2)CC1 ZINC000374467381 557887526 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FEEDRO Cc1ncccc1O[C@H]1CC[N@H+](C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000375457481 558030627 /nfs/dbraw/zinc/03/06/27/558030627.db2.gz JZJYHYUUPQCYNB-HKUYNNGSSA-N 1 0 353.422 2.155 20 30 FEEDRO Cc1ncccc1O[C@@H]1CC[N@H+](C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000375457486 558030694 /nfs/dbraw/zinc/03/06/94/558030694.db2.gz JZJYHYUUPQCYNB-PKOBYXMFSA-N 1 0 353.422 2.155 20 30 FEEDRO COc1cc(C#N)ccc1OCC[NH2+][C@@H]1CCCC[C@H]1N1CCOCC1 ZINC000375471063 558033083 /nfs/dbraw/zinc/03/30/83/558033083.db2.gz GJOADKGWJRLVPZ-QZTJIDSGSA-N 1 0 359.470 2.179 20 30 FEEDRO C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H]3C2)C1=O ZINC000375610459 558056637 /nfs/dbraw/zinc/05/66/37/558056637.db2.gz GHWOHGIJERRIAP-HZMVEIRTSA-N 1 0 363.502 2.399 20 30 FEEDRO C[NH+](C)C1CCN(C(=O)C2CCN(c3ccc(C#N)cc3F)CC2)CC1 ZINC000375617907 558057721 /nfs/dbraw/zinc/05/77/21/558057721.db2.gz LAZPWWFNERXYBS-UHFFFAOYSA-N 1 0 358.461 2.466 20 30 FEEDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000375635781 558060220 /nfs/dbraw/zinc/06/02/20/558060220.db2.gz GTXVDUGEUZBBJY-JSGCOSHPSA-N 1 0 353.875 2.459 20 30 FEEDRO CCN([C@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)N(C)[C@@H](C)CC#N ZINC000375705737 558070336 /nfs/dbraw/zinc/07/03/36/558070336.db2.gz HNIOYINOPOOPCH-WMZOPIPTSA-N 1 0 364.515 2.062 20 30 FEEDRO C[C@H](C#N)Oc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3CC(=O)N(C)C)cc1 ZINC000375740059 558075267 /nfs/dbraw/zinc/07/52/67/558075267.db2.gz DFCVKAZUUHDTTD-BPIHKTFHSA-N 1 0 370.497 2.151 20 30 FEEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3CC(=O)N(C)C)cc1 ZINC000375740063 558075485 /nfs/dbraw/zinc/07/54/85/558075485.db2.gz DFCVKAZUUHDTTD-UXDRXVOSSA-N 1 0 370.497 2.151 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H](CC(C)C)N2CCOCC2)CC1 ZINC000521583233 562179311 /nfs/dbraw/zinc/17/93/11/562179311.db2.gz YQJSSBXJWQPETE-LJQANCHMSA-N 1 0 366.550 2.073 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)NCCNc2ccccc2[N+](=O)[O-])CC1 ZINC000521584003 562179432 /nfs/dbraw/zinc/17/94/32/562179432.db2.gz 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CC(C)(CNC(=O)c1ccc(-n2ncc(C#N)c2N)cc1)[NH+]1CCCCC1 ZINC000522100808 562191486 /nfs/dbraw/zinc/19/14/86/562191486.db2.gz GEYSJOZCELWGKF-UHFFFAOYSA-N 1 0 366.469 2.320 20 30 FEEDRO CO/N=C/c1ccc(C(=O)N(C)C2CC[NH+](C3CCOCC3)CC2)cc1 ZINC000377474321 558346706 /nfs/dbraw/zinc/34/67/06/558346706.db2.gz ASUYTOLFKFGMAY-RCCKNPSSSA-N 1 0 359.470 2.382 20 30 FEEDRO CC(C)(C)OC(=O)N1CC[C@@H](N2CC[NH+](CCCSCC#N)CC2)C1 ZINC000377521682 558356542 /nfs/dbraw/zinc/35/65/42/558356542.db2.gz ZJDSBBXLRNJNDN-MRXNPFEDSA-N 1 0 368.547 2.260 20 30 FEEDRO Cc1cc(=NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)[nH]n1CCC#N ZINC000377578229 558369895 /nfs/dbraw/zinc/36/98/95/558369895.db2.gz BKELKWNAXHHNNN-FUHWJXTLSA-N 1 0 366.469 2.890 20 30 FEEDRO Cc1noc([C@H](C)NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000522445100 562198601 /nfs/dbraw/zinc/19/86/01/562198601.db2.gz UIQPEVXESDYJTJ-AWEZNQCLSA-N 1 0 368.441 2.228 20 30 FEEDRO C#Cc1ccc(C[N@H+]2CCC[C@@H](c3n[nH]cc3C(=O)NCCOC)C2)cc1 ZINC000377710899 558402873 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362.433 2.069 20 30 FEEDRO C[N@@H+]1CCO[C@H]2CCN(c3nc4c(c(C#N)c3C#N)CCCCCC4)C[C@H]21 ZINC000408032134 558639955 /nfs/dbraw/zinc/63/99/55/558639955.db2.gz ZYZPFAZXUKEZNC-UXHICEINSA-N 1 0 365.481 2.393 20 30 FEEDRO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000408135709 558650406 /nfs/dbraw/zinc/65/04/06/558650406.db2.gz ZIMADOALLVCEAH-IAGOWNOFSA-N 1 0 360.502 2.052 20 30 FEEDRO CCN(C[C@@H](C)C#N)S(=O)(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000409530433 558700559 /nfs/dbraw/zinc/70/05/59/558700559.db2.gz SNGBIVBRFDAACH-FUHWJXTLSA-N 1 0 364.515 2.139 20 30 FEEDRO COC(=O)CC[N@@H+]1CCN(c2ccc(C(F)(F)F)c(C#N)n2)[C@@H](C)C1 ZINC000409734526 558717488 /nfs/dbraw/zinc/71/74/88/558717488.db2.gz WVEQZJQUCDCYAY-NSHDSACASA-N 1 0 356.348 2.046 20 30 FEEDRO CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000410099349 558738199 /nfs/dbraw/zinc/73/81/99/558738199.db2.gz LJXIZXOWDYUEDT-GDBMZVCRSA-N 1 0 368.503 2.041 20 30 FEEDRO CCN(CCC#N)S(=O)(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000410140038 558741469 /nfs/dbraw/zinc/74/14/69/558741469.db2.gz OYFOOIPUUYCGED-IRXDYDNUSA-N 1 0 356.536 2.053 20 30 FEEDRO CCN(C[C@H](C)C#N)S(=O)(=O)N[C@H](C)[C@H](c1ccccc1C)[NH+](C)C ZINC000410411684 558755857 /nfs/dbraw/zinc/75/58/57/558755857.db2.gz SIKIIYNLIRXQFR-QGPMSJSTSA-N 1 0 366.531 2.302 20 30 FEEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)C[C@H]1C ZINC000525395895 562247288 /nfs/dbraw/zinc/24/72/88/562247288.db2.gz IKZUKKDIYKAWBV-KDOFPFPSSA-N 1 0 366.469 2.271 20 30 FEEDRO Cc1cc(NC(=O)C(=O)N(CCC#N)CC2CC2)ccc1OCC[NH+](C)C ZINC000411392677 558886623 /nfs/dbraw/zinc/88/66/23/558886623.db2.gz DCBBYCOAGKKXAY-UHFFFAOYSA-N 1 0 372.469 2.026 20 30 FEEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCc4nn[nH]c4C3)sc2C1 ZINC000411621745 558930742 /nfs/dbraw/zinc/93/07/42/558930742.db2.gz RHRSUGZBGPKZPJ-NSHDSACASA-N 1 0 370.482 2.250 20 30 FEEDRO COCC[C@]1([NH2+]CCC(=O)Nc2sc3c(c2C#N)CCC3)CCOC1 ZINC000411644590 558935119 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20 30 FEEDRO C=CC[C@@H](Cc1ccccc1)NC(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000413311909 559097986 /nfs/dbraw/zinc/09/79/86/559097986.db2.gz JICPUAQHFGASAZ-QUCCMNQESA-N 1 0 358.530 2.357 20 30 FEEDRO CSCc1cccc(NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C)c1 ZINC000526125029 562267614 /nfs/dbraw/zinc/26/76/14/562267614.db2.gz GCHKGFFSODPSLG-UHFFFAOYSA-N 1 0 362.499 2.182 20 30 FEEDRO COC(=O)[C@@H]1CC[C@H](C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000413696722 559125319 /nfs/dbraw/zinc/12/53/19/559125319.db2.gz OQAFSHIDXLFMIL-ZWKOTPCHSA-N 1 0 369.465 2.250 20 30 FEEDRO N#Cc1ccc(N2C[C@H](c3nc(C4([NH3+])CCC4)no3)CC2=O)cc1Cl ZINC000414629182 559176401 /nfs/dbraw/zinc/17/64/01/559176401.db2.gz PYRIXSJTAGXKSF-LLVKDONJSA-N 1 0 357.801 2.453 20 30 FEEDRO C[NH2+][C@H](C)Cc1noc(COc2cccc(Br)c2C#N)n1 ZINC000414654766 559177483 /nfs/dbraw/zinc/17/74/83/559177483.db2.gz YWCHOQKTYMLCIE-SECBINFHSA-N 1 0 351.204 2.433 20 30 FEEDRO C=CCN(CCc1ccco1)C(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000415173729 559211944 /nfs/dbraw/zinc/21/19/44/559211944.db2.gz VBBQOOCBVGTHLD-UHFFFAOYSA-N 1 0 353.422 2.121 20 30 FEEDRO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)Nc2ccccc2SC[C@@H](C)C#N)C1 ZINC000415287491 559221370 /nfs/dbraw/zinc/22/13/70/559221370.db2.gz WNAJUDPOHIQWDK-LSDHHAIUSA-N 1 0 374.510 2.335 20 30 FEEDRO C[C@@H](NC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)[C@@H]1CCC[NH2+]C1 ZINC000415350885 559226509 /nfs/dbraw/zinc/22/65/09/559226509.db2.gz IJZGECRMMSNSSH-ZYHUDNBSSA-N 1 0 368.359 2.020 20 30 FEEDRO CC(C)[C@@H]1CCc2c(C#N)c(NC(=O)C(=O)NC[C@H]3CCC[NH2+]3)sc2C1 ZINC000415372813 559228649 /nfs/dbraw/zinc/22/86/49/559228649.db2.gz GVLULXNRYBOMCD-CHWSQXEVSA-N 1 0 374.510 2.187 20 30 FEEDRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000415418309 559233719 /nfs/dbraw/zinc/23/37/19/559233719.db2.gz RLQAHEHLEQBSSA-CQSZACIVSA-N 1 0 366.421 2.261 20 30 FEEDRO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)CC[NH2+]1 ZINC000415421887 559234106 /nfs/dbraw/zinc/23/41/06/559234106.db2.gz YROJOWHJATWAAX-CQSZACIVSA-N 1 0 364.405 2.109 20 30 FEEDRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)C1 ZINC000415436027 559236422 /nfs/dbraw/zinc/23/64/22/559236422.db2.gz BHBOWCWKPJGSIS-JSGCOSHPSA-N 1 0 372.860 2.988 20 30 FEEDRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 ZINC000415445738 559237769 /nfs/dbraw/zinc/23/77/69/559237769.db2.gz SOOXUBUEDSICSG-WFASDCNBSA-N 1 0 356.405 2.617 20 30 FEEDRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 ZINC000415459827 559239509 /nfs/dbraw/zinc/23/95/09/559239509.db2.gz NCFSHYNNQUDKBW-DOMZBBRYSA-N 1 0 356.405 2.617 20 30 FEEDRO N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)n1 ZINC000415460540 559239529 /nfs/dbraw/zinc/23/95/29/559239529.db2.gz NKAXVLMBDPWKJB-IUODEOHRSA-N 1 0 372.860 3.036 20 30 FEEDRO C[C@H]1CCN(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)C[C@@H]1C[NH3+] ZINC000415466666 559240196 /nfs/dbraw/zinc/24/01/96/559240196.db2.gz ULCFDZZJTPBVKX-JSGCOSHPSA-N 1 0 372.860 2.846 20 30 FEEDRO N#Cc1ccc(-n2ccc(NC(=O)N[C@H]3CCCC[C@@H]3C[NH3+])n2)c(Cl)c1 ZINC000415471029 559240940 /nfs/dbraw/zinc/24/09/40/559240940.db2.gz ZTHKEAUUHXJOBF-HIFRSBDPSA-N 1 0 372.860 3.036 20 30 FEEDRO CC[NH2+]CC1CCN(C(=O)C(=O)Nc2ccccc2SCCC#N)CC1 ZINC000415479393 559241744 /nfs/dbraw/zinc/24/17/44/559241744.db2.gz RRZIAOBJLMMKBX-UHFFFAOYSA-N 1 0 374.510 2.479 20 30 FEEDRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000415492227 559243007 /nfs/dbraw/zinc/24/30/07/559243007.db2.gz LFYPYNGPHDGTAH-KBPBESRZSA-N 1 0 360.483 2.230 20 30 FEEDRO CCCN(C(=O)C(=O)Nc1cccc(OCCCC#N)c1)C1CC[NH2+]CC1 ZINC000415506657 559244837 /nfs/dbraw/zinc/24/48/37/559244837.db2.gz SXPUGCXEDWGBRX-UHFFFAOYSA-N 1 0 372.469 2.298 20 30 FEEDRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)Nc1ccccc1C#Cc1ccccc1 ZINC000415541265 559247716 /nfs/dbraw/zinc/24/77/16/559247716.db2.gz NIBFJIVQLGLZDQ-FUHWJXTLSA-N 1 0 361.445 2.221 20 30 FEEDRO C[C@H]1CN(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)[C@@H](C)C[NH2+]1 ZINC000415562101 559249981 /nfs/dbraw/zinc/24/99/81/559249981.db2.gz OINBOMNOANSIJL-GJZGRUSLSA-N 1 0 369.469 2.484 20 30 FEEDRO C=C(C)COc1cccc(NC(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1 ZINC000415577659 559251793 /nfs/dbraw/zinc/25/17/93/559251793.db2.gz HSCLISPVKLXUMH-WBAXXEDZSA-N 1 0 357.454 2.166 20 30 FEEDRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)Nc2cccc(C#Cc3ccccc3)c2)C1 ZINC000415588526 559253264 /nfs/dbraw/zinc/25/32/64/559253264.db2.gz ZZXBXWUUONPHID-APWZRJJASA-N 1 0 361.445 2.221 20 30 FEEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000415616231 559255432 /nfs/dbraw/zinc/25/54/32/559255432.db2.gz DELLVOBLLDEBCW-UMVBOHGHSA-N 1 0 360.483 2.134 20 30 FEEDRO C[C@@]1(C[NH3+])CCN(C(=O)C(=O)Nc2cccc(C#Cc3ccccc3)c2)C1 ZINC000415684516 559261683 /nfs/dbraw/zinc/26/16/83/559261683.db2.gz FIZCHITYBKZIRL-QFIPXVFZSA-N 1 0 361.445 2.222 20 30 FEEDRO O=C(Nc1ccccc1C#Cc1ccccc1)C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000415736859 559266165 /nfs/dbraw/zinc/26/61/65/559266165.db2.gz BZRNTKKMMRRIOP-UXHICEINSA-N 1 0 373.456 2.093 20 30 FEEDRO C=CCOc1ccc(Br)cc1NC(=O)NCC[NH2+]CCOC ZINC000415807269 559273144 /nfs/dbraw/zinc/27/31/44/559273144.db2.gz QKPYFFDSKPEFQC-UHFFFAOYSA-N 1 0 372.263 2.371 20 30 FEEDRO Cn1ncc(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)c1C#N ZINC000527250534 562282251 /nfs/dbraw/zinc/28/22/51/562282251.db2.gz MEFJEFMYPXLQOI-HKUYNNGSSA-N 1 0 363.465 2.418 20 30 FEEDRO C=CCN(Cc1ccccc1)C(=O)Nc1cnc(N2CC[NH2+]CC2)nc1 ZINC000415959794 559285259 /nfs/dbraw/zinc/28/52/59/559285259.db2.gz ZZLXQBPVNNCVPM-UHFFFAOYSA-N 1 0 352.442 2.106 20 30 FEEDRO O=C(NCC#Cc1cccc(C(F)(F)F)c1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000416939534 559339420 /nfs/dbraw/zinc/33/94/20/559339420.db2.gz CVGUXKYGCBBCIH-LSDHHAIUSA-N 1 0 351.372 2.308 20 30 FEEDRO CO[C@H]1CCN(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)[C@H](C[NH3+])C1 ZINC000416953867 559340111 /nfs/dbraw/zinc/34/01/11/559340111.db2.gz VVNMBWMLVPSEMH-HOTGVXAUSA-N 1 0 369.387 2.205 20 30 FEEDRO N#Cc1ccc(N2CCC[C@H](NC(=O)NC[C@H]3CCC[C@H]([NH3+])C3)C2)c(F)c1 ZINC000417573888 559367317 /nfs/dbraw/zinc/36/73/17/559367317.db2.gz HZPWREJMTFJCRY-ULQDDVLXSA-N 1 0 373.476 2.483 20 30 FEEDRO C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000417580676 559367550 /nfs/dbraw/zinc/36/75/50/559367550.db2.gz RKCCMHJOYSJFSN-LZWOXQAQSA-N 1 0 359.449 2.058 20 30 FEEDRO N#Cc1ccc(N2CCC[C@H](NC(=O)N[C@H]3CCCC[C@@H]3C[NH3+])C2)c(F)c1 ZINC000417580682 559367567 /nfs/dbraw/zinc/36/75/67/559367567.db2.gz RKLMPZFJSNOCQO-RYRKJORJSA-N 1 0 373.476 2.483 20 30 FEEDRO C[NH2+][C@@H]1CCCN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)C1 ZINC000417579980 559367578 /nfs/dbraw/zinc/36/75/78/559367578.db2.gz QIWHLNMFYKWJJI-CVEARBPZSA-N 1 0 359.449 2.060 20 30 FEEDRO N#Cc1ccc(N2CCC[C@@H](NC(=O)NCCC[C@H]3CCC[NH2+]3)C2)c(F)c1 ZINC000417581902 559367687 /nfs/dbraw/zinc/36/76/87/559367687.db2.gz UICQDHBQSIZCOX-IAGOWNOFSA-N 1 0 373.476 2.498 20 30 FEEDRO CN(C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1)C1CC[NH2+]CC1 ZINC000417585706 559367860 /nfs/dbraw/zinc/36/78/60/559367860.db2.gz ZWPCNMAPVSYZCN-OAHLLOKOSA-N 1 0 359.449 2.060 20 30 FEEDRO C[C@@H]1CN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)[C@H](C)C[NH2+]1 ZINC000417583886 559367987 /nfs/dbraw/zinc/36/79/87/559367987.db2.gz WZLHWUXACUPGGH-IIAWOOMASA-N 1 0 359.449 2.058 20 30 FEEDRO N#CCC[C@H](NC(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+])c1ccccc1 ZINC000417912034 559381649 /nfs/dbraw/zinc/38/16/49/559381649.db2.gz IITGNBMFOSORHL-MSOLQXFVSA-N 1 0 371.485 2.061 20 30 FEEDRO C[C@@H](NC(=O)N(CC[NH3+])CCO)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000417982622 559384903 /nfs/dbraw/zinc/38/49/03/559384903.db2.gz BJLVNRFMWTVHAX-OAHLLOKOSA-N 1 0 352.438 2.249 20 30 FEEDRO C=C(C)[C@H](NC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1)c1ccc(F)c(F)c1 ZINC000418025992 559387076 /nfs/dbraw/zinc/38/70/76/559387076.db2.gz GPNORZBFOGIZMG-YJBOKZPZSA-N 1 0 364.440 2.271 20 30 FEEDRO C[C@@H]([NH3+])c1ccc(CNC(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1 ZINC000418460362 559402622 /nfs/dbraw/zinc/40/26/22/559402622.db2.gz JWUFNXXYJYGPGG-KDOFPFPSSA-N 1 0 365.437 2.336 20 30 FEEDRO C=CCN(CCc1ccco1)C(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000418665230 559410446 /nfs/dbraw/zinc/41/04/46/559410446.db2.gz BONOYSKOTMYVOB-UHFFFAOYSA-N 1 0 360.502 2.236 20 30 FEEDRO CN(CCOCc1ccc(C#N)cc1)C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000418685976 559411200 /nfs/dbraw/zinc/41/12/00/559411200.db2.gz NPERVXRNNLOZFG-SAABIXHNSA-N 1 0 358.486 2.481 20 30 FEEDRO C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N1CCC(C[NH2+]CC)CC1 ZINC000419053810 559426357 /nfs/dbraw/zinc/42/63/57/559426357.db2.gz GHMULZKYHMMUOG-LJQANCHMSA-N 1 0 357.498 2.138 20 30 FEEDRO C=CCC[C@H](NC(=O)C(=O)N1CC[NH2+]CC1)c1ccc(C(F)(F)F)cc1 ZINC000419468643 559443991 /nfs/dbraw/zinc/44/39/91/559443991.db2.gz BQNNQVROHAPKOV-HNNXBMFYSA-N 1 0 369.387 2.261 20 30 FEEDRO C=C(C)[C@H](NC(=O)C(=O)N(C)[C@@H]1CCC[NH2+]CC1)c1ccc(F)c(F)c1 ZINC000419676716 559453317 /nfs/dbraw/zinc/45/33/17/559453317.db2.gz MAHMGJWLJQRTEU-PBHICJAKSA-N 1 0 365.424 2.299 20 30 FEEDRO C[NH+](C)C1(CNC(=O)C(=O)Nc2ccccc2C#Cc2ccccc2)CC1 ZINC000419792841 559459480 /nfs/dbraw/zinc/45/94/80/559459480.db2.gz ARSXOSRGVLLITH-UHFFFAOYSA-N 1 0 361.445 2.235 20 30 FEEDRO N#CC1(CNC(=O)C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)CCC1 ZINC000419820332 559461162 /nfs/dbraw/zinc/46/11/62/559461162.db2.gz RNRDJALEPFQMAP-UHFFFAOYSA-N 1 0 354.454 2.421 20 30 FEEDRO C=CCC[C@@H]1NC(=O)N(Cc2ccccc2C[NH+]2CCC(O)CC2)C1=O ZINC000419984523 559467662 /nfs/dbraw/zinc/46/76/62/559467662.db2.gz VRMSRKYSPLBGBL-SFHVURJKSA-N 1 0 357.454 2.030 20 30 FEEDRO CC1(C)C[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@H](CO)O1 ZINC000420945456 559513397 /nfs/dbraw/zinc/51/33/97/559513397.db2.gz SVGZTIZDQKEBIP-CQSZACIVSA-N 1 0 351.834 2.012 20 30 FEEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000421292469 559536416 /nfs/dbraw/zinc/53/64/16/559536416.db2.gz BEKPNSDMPUBPMP-CABCVRRESA-N 1 0 374.510 2.429 20 30 FEEDRO C[NH+](C)C1CCC(NC(=O)[C@H]2CCC(=O)N2Cc2cccc(C#N)c2)CC1 ZINC000421681236 559549262 /nfs/dbraw/zinc/54/92/62/559549262.db2.gz WEWPMIDXRXZKJK-CTWPCTMYSA-N 1 0 368.481 2.038 20 30 FEEDRO C=C[C@@](C)(CCOC)C(=O)N1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000422015689 559560809 /nfs/dbraw/zinc/56/08/09/559560809.db2.gz HKDFVGWYYAMRCG-FQEVSTJZSA-N 1 0 351.535 2.234 20 30 FEEDRO CCCN(CCN1CC[NH+](CC)CC1)C(=O)NCc1ccc(C#N)s1 ZINC000422220746 559572116 /nfs/dbraw/zinc/57/21/16/559572116.db2.gz VHCFZPZZHAPMML-UHFFFAOYSA-N 1 0 363.531 2.179 20 30 FEEDRO C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000422487198 559591264 /nfs/dbraw/zinc/59/12/64/559591264.db2.gz HXGPLODEAUKWEL-MOPGFXCFSA-N 1 0 357.498 2.138 20 30 FEEDRO C[C@@H](C(=O)NC1(C#N)CCC1)N1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000527299982 562284292 /nfs/dbraw/zinc/28/42/92/562284292.db2.gz PVAIQQQAGRNFEJ-HOTGVXAUSA-N 1 0 370.501 2.135 20 30 FEEDRO C=CCN(Cc1ccccc1F)C(=O)C(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000423188188 559622376 /nfs/dbraw/zinc/62/23/76/559622376.db2.gz PTRZCUBLTGGYGB-IRXDYDNUSA-N 1 0 373.472 2.188 20 30 FEEDRO N#CCCC[C@@H]([NH3+])C(=O)NCC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000424058382 559653006 /nfs/dbraw/zinc/65/30/06/559653006.db2.gz DEJFODLXIFMNNJ-MRXNPFEDSA-N 1 0 357.454 2.407 20 30 FEEDRO C=CCc1cccc(F)c1OCC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000424104790 559654914 /nfs/dbraw/zinc/65/49/14/559654914.db2.gz ULTKNGALAOUNIC-KRWDZBQOSA-N 1 0 364.461 2.406 20 30 FEEDRO CC(C)(C)S(=O)(=O)Cc1cccc(NC(=O)[C@@H]([NH3+])CCCC#N)c1 ZINC000424111264 559655124 /nfs/dbraw/zinc/65/51/24/559655124.db2.gz ACRDIOPINYCOKD-HNNXBMFYSA-N 1 0 351.472 2.360 20 30 FEEDRO C=CCn1c(-c2cccc(C)n2)nnc1N1CC[NH+](C(C)(C)COC)CC1 ZINC000424136473 559655844 /nfs/dbraw/zinc/65/58/44/559655844.db2.gz KQQJZIOEOXPTTB-UHFFFAOYSA-N 1 0 370.501 2.382 20 30 FEEDRO COCCOc1ccc(Br)cc1NC(=O)[C@@H]([NH3+])CCCC#N ZINC000424169843 559656741 /nfs/dbraw/zinc/65/67/41/559656741.db2.gz ANJWBTMMUYFTOB-LBPRGKRZSA-N 1 0 370.247 2.434 20 30 FEEDRO N#CCCC[C@H]([NH3+])C(=O)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000424178871 559656866 /nfs/dbraw/zinc/65/68/66/559656866.db2.gz XPVPWTBAZISQRW-KBPBESRZSA-N 1 0 369.252 2.236 20 30 FEEDRO C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424559060 559669316 /nfs/dbraw/zinc/66/93/16/559669316.db2.gz XHEFZKIDNYGCAV-IEBWSBKVSA-N 1 0 369.509 2.281 20 30 FEEDRO C=CCC1(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CCOCC1 ZINC000424744551 559675461 /nfs/dbraw/zinc/67/54/61/559675461.db2.gz UXEIRJAUEYVXEU-MSOLQXFVSA-N 1 0 350.503 2.243 20 30 FEEDRO COCC[NH+](CCOC)C1CCN(c2ncc3c(c2C#N)CCC3)CC1 ZINC000425251086 559693239 /nfs/dbraw/zinc/69/32/39/559693239.db2.gz GYTRRQFUNJZCNB-UHFFFAOYSA-N 1 0 358.486 2.006 20 30 FEEDRO C[C@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000425383936 559699205 /nfs/dbraw/zinc/69/92/05/559699205.db2.gz LFQJVOHASHTWKE-AEFFLSMTSA-N 1 0 368.481 2.022 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)Nc1ccc(Cl)c(CN(C)C)c1 ZINC000425797985 559720084 /nfs/dbraw/zinc/72/00/84/559720084.db2.gz XWVFJBLRRIWPTO-LRDDRELGSA-N 1 0 365.861 2.047 20 30 FEEDRO C[C@H](C[NH+]1CCCCCC1)NC(=O)C(=O)N(C)[C@@H](C)c1cccc(C#N)c1 ZINC000425891005 559724237 /nfs/dbraw/zinc/72/42/37/559724237.db2.gz OIFHJHBHJFGXCY-SJORKVTESA-N 1 0 370.497 2.458 20 30 FEEDRO C[C@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000425910555 559725081 /nfs/dbraw/zinc/72/50/81/559725081.db2.gz WNSIXIJMVVPWFB-CRAIPNDOSA-N 1 0 370.497 2.314 20 30 FEEDRO C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000426347473 559733099 /nfs/dbraw/zinc/73/30/99/559733099.db2.gz LXGVVPLGWQZFNT-RTBURBONSA-N 1 0 371.481 2.432 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cc1F ZINC000427940651 559765840 /nfs/dbraw/zinc/76/58/40/559765840.db2.gz DUAMLCHIVJZMKN-WBVHZDCISA-N 1 0 359.426 2.060 20 30 FEEDRO N#Cc1ccc(O[C@@H]2CC[N@@H+](C[C@@H](O)COc3ccc(Cl)cc3)C2)nc1 ZINC000428792495 559783556 /nfs/dbraw/zinc/78/35/56/559783556.db2.gz XBMAKMUDVUABQG-SJLPKXTDSA-N 1 0 373.840 2.500 20 30 FEEDRO C[N@H+](CCCNC(=O)C1CCC1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000429545695 559800967 /nfs/dbraw/zinc/80/09/67/559800967.db2.gz FPCAQFUJKNSHNL-LJQANCHMSA-N 1 0 368.481 2.292 20 30 FEEDRO CC(C)(CCC[NH3+])NS(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000431046250 559833230 /nfs/dbraw/zinc/83/32/30/559833230.db2.gz UFPHZJSUDNENRO-UHFFFAOYSA-N 1 0 360.277 2.117 20 30 FEEDRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N[C@H](CCCC#N)c1ccccc1 ZINC000431285683 559836923 /nfs/dbraw/zinc/83/69/23/559836923.db2.gz UVZAXOURYIJWPF-PKOBYXMFSA-N 1 0 357.502 2.357 20 30 FEEDRO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000434593277 559903194 /nfs/dbraw/zinc/90/31/94/559903194.db2.gz AMVLYYRTKHQQTQ-GJZGRUSLSA-N 1 0 373.501 2.432 20 30 FEEDRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000434593279 559903210 /nfs/dbraw/zinc/90/32/10/559903210.db2.gz AMVLYYRTKHQQTQ-HUUCEWRRSA-N 1 0 373.501 2.432 20 30 FEEDRO C[C@H](CNC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C)[N@@H+]1CCCC[C@H]1C ZINC000434729781 559908009 /nfs/dbraw/zinc/90/80/09/559908009.db2.gz ZEPKTUYUEXOHGI-HUUCEWRRSA-N 1 0 373.501 2.432 20 30 FEEDRO CCC[NH+]1CCC(NC(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)CC1 ZINC000434936963 559912814 /nfs/dbraw/zinc/91/28/14/559912814.db2.gz YYMBHXSPAQIZGW-UHFFFAOYSA-N 1 0 359.474 2.044 20 30 FEEDRO COCC[N@H+](Cc1cn(CCC#N)nc1-c1ccncc1)[C@H]1CCOC1 ZINC000434990702 559913864 /nfs/dbraw/zinc/91/38/64/559913864.db2.gz ISBLDNHTXGGNAW-SFHVURJKSA-N 1 0 355.442 2.096 20 30 FEEDRO CN(CC[NH2+]Cc1ccc(C#N)s1)S(=O)(=O)c1ccc(F)cc1 ZINC000435725282 559929038 /nfs/dbraw/zinc/92/90/38/559929038.db2.gz GGADHCQXEUILEO-UHFFFAOYSA-N 1 0 353.444 2.169 20 30 FEEDRO N#Cc1cccc(C#N)c1NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000436402774 559941200 /nfs/dbraw/zinc/94/12/00/559941200.db2.gz AUWRFLWVFHQQLQ-UHFFFAOYSA-N 1 0 361.453 2.234 20 30 FEEDRO N#Cc1cccc(NC(=O)CC[N@@H+]2CCC[C@H]2C(=O)NCc2ccco2)c1 ZINC000436462842 559942034 /nfs/dbraw/zinc/94/20/34/559942034.db2.gz VEJRTUZXJAAEAF-SFHVURJKSA-N 1 0 366.421 2.261 20 30 FEEDRO COc1c[nH+]ccc1N1CCN(C(=O)NCC2CCC(C#N)CC2)CC1 ZINC000441011575 560021618 /nfs/dbraw/zinc/02/16/18/560021618.db2.gz PFDTXOSKBNRHPA-UHFFFAOYSA-N 1 0 357.458 2.252 20 30 FEEDRO N#C[C@H]1CCC[C@H]([NH2+]CCNS(=O)(=O)c2ccc(Cl)cc2F)C1 ZINC000442874200 560060599 /nfs/dbraw/zinc/06/05/99/560060599.db2.gz MCJCOCRLGINIQU-AAEUAGOBSA-N 1 0 359.854 2.429 20 30 FEEDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNS(=O)(=O)c2ccc(F)cc2C#N)C1 ZINC000443112684 560071075 /nfs/dbraw/zinc/07/10/75/560071075.db2.gz WRBKAGUHSCXJIB-OKILXGFUSA-N 1 0 353.463 2.344 20 30 FEEDRO CC(C)[C@H](CNc1ccc(C(F)(F)F)c(C#N)n1)[NH+]1CCN(C)CC1 ZINC000443440621 560084084 /nfs/dbraw/zinc/08/40/84/560084084.db2.gz SRBRAGHTLQFNBA-HNNXBMFYSA-N 1 0 355.408 2.656 20 30 FEEDRO C[NH+](C)CCO[C@H]1CCN(c2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000443494843 560085475 /nfs/dbraw/zinc/08/54/75/560085475.db2.gz DNONPDRDKIGTJE-HNNXBMFYSA-N 1 0 355.398 2.172 20 30 FEEDRO CC[NH+](CC)CCOCCNc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1 ZINC000443498018 560085547 /nfs/dbraw/zinc/08/55/47/560085547.db2.gz FJNQXKYGQANXIF-UHFFFAOYSA-N 1 0 357.414 2.785 20 30 FEEDRO Cc1cc(S(=O)(=O)N(CC[NH+](C)C)Cc2ccccn2)ccc1C#N ZINC000443908994 560095928 /nfs/dbraw/zinc/09/59/28/560095928.db2.gz PPJYOHMVCZKPSP-UHFFFAOYSA-N 1 0 358.467 2.014 20 30 FEEDRO CCOC(=O)c1ccc(N2CC([NH2+]Cc3ccc(C#N)c(C)c3)C2)nc1 ZINC000443987583 560098553 /nfs/dbraw/zinc/09/85/53/560098553.db2.gz KAJUVCUUOQUTBC-UHFFFAOYSA-N 1 0 350.422 2.417 20 30 FEEDRO CC(C)[N@H+](C)CCNC(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000444203493 560105378 /nfs/dbraw/zinc/10/53/78/560105378.db2.gz FUWSGZCFLIAZMF-UHFFFAOYSA-N 1 0 363.893 2.383 20 30 FEEDRO C[C@@H]1[C@H](NC(=O)NC2CCC(Oc3ncccc3C#N)CC2)CCC[N@@H+]1C ZINC000446629702 560148757 /nfs/dbraw/zinc/14/87/57/560148757.db2.gz VXXUCUGMCMINHH-AGERRDQYSA-N 1 0 371.485 2.425 20 30 FEEDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNS(=O)(=O)Cc1cc(C#N)ccc1F ZINC000447927570 560173357 /nfs/dbraw/zinc/17/33/57/560173357.db2.gz BNVMSQZQXLIAFD-MRXNPFEDSA-N 1 0 353.463 2.237 20 30 FEEDRO C[NH+](C)[C@H]1CCN(c2ccc(NC(=O)CNc3cccc(C#N)c3)nc2)C1 ZINC000448453505 560187446 /nfs/dbraw/zinc/18/74/46/560187446.db2.gz YZMPITIVJJKKEC-SFHVURJKSA-N 1 0 364.453 2.144 20 30 FEEDRO C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)c3ccc(C#N)n3C)cc2)C[C@H](C)O1 ZINC000448685584 560194208 /nfs/dbraw/zinc/19/42/08/560194208.db2.gz ACAPMARMXKSKQO-IYBDPMFKSA-N 1 0 366.465 2.436 20 30 FEEDRO C[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 ZINC000448885524 560204990 /nfs/dbraw/zinc/20/49/90/560204990.db2.gz XARLXQBQRDSSFY-ZBFHGGJFSA-N 1 0 374.872 2.117 20 30 FEEDRO C=CCc1cc(CNC(=O)COC2CCC([NH3+])CC2)cc(OC)c1OC ZINC000449110839 560216261 /nfs/dbraw/zinc/21/62/61/560216261.db2.gz HAGURPLUAROPFB-UHFFFAOYSA-N 1 0 362.470 2.335 20 30 FEEDRO N#CCCCOc1cccc(CN2CC[NH+]([C@H]3CCNC(=O)CC3)CC2)c1 ZINC000449692144 560237109 /nfs/dbraw/zinc/23/71/09/560237109.db2.gz AJZNIHCRGMPBLP-LJQANCHMSA-N 1 0 370.497 2.155 20 30 FEEDRO C[C@@H](CNC(=O)COc1ccc(C#N)c(Br)c1)[N@H+](C)C1CC1 ZINC000449834059 560241880 /nfs/dbraw/zinc/24/18/80/560241880.db2.gz IWQLLZLLTOITDT-NSHDSACASA-N 1 0 366.259 2.298 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000450229066 560254676 /nfs/dbraw/zinc/25/46/76/560254676.db2.gz WEAYQBIMDKFRFP-WCIQWLHISA-N 1 0 363.546 2.373 20 30 FEEDRO C[NH+]1CCN(c2ncccc2CNc2cccc(C#N)c2[N+](=O)[O-])CC1 ZINC000450276640 560256746 /nfs/dbraw/zinc/25/67/46/560256746.db2.gz IVJVBRRTCQTGIC-UHFFFAOYSA-N 1 0 352.398 2.225 20 30 FEEDRO C=CCOc1ccc(CC(=O)N2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)cc1 ZINC000450367700 560260234 /nfs/dbraw/zinc/26/02/34/560260234.db2.gz YZHWYUNJUNRCOV-SFHVURJKSA-N 1 0 371.525 2.421 20 30 FEEDRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)COc1cccc(Br)c1C#N ZINC000450373624 560260378 /nfs/dbraw/zinc/26/03/78/560260378.db2.gz CZEBEQYYLVAJSI-VXGBXAGGSA-N 1 0 366.259 2.251 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)NCCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000450406730 560261446 /nfs/dbraw/zinc/26/14/46/560261446.db2.gz SDBWVJHUSFJISJ-UXHICEINSA-N 1 0 358.482 2.411 20 30 FEEDRO N#Cc1ccc(N2CC[NH+]([C@H]3CCNC(=O)CC3)CC2)c(C(F)(F)F)c1 ZINC000450891785 560276971 /nfs/dbraw/zinc/27/69/71/560276971.db2.gz LJIQEVCMJJZVDB-CQSZACIVSA-N 1 0 366.387 2.368 20 30 FEEDRO CC[C@H]1CCCC[N@@H+]1CCNS(=O)(=O)Cc1ccc(F)cc1C#N ZINC000451190565 560292363 /nfs/dbraw/zinc/29/23/63/560292363.db2.gz LILWTQAUVLCJAC-KRWDZBQOSA-N 1 0 353.463 2.381 20 30 FEEDRO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](CC(C)(C)C(N)=O)C1 ZINC000451214419 560293585 /nfs/dbraw/zinc/29/35/85/560293585.db2.gz WKJTXVIOSJVEOO-SPYBWZPUSA-N 1 0 350.507 2.043 20 30 FEEDRO CC(C)[N@H+]1C[C@H](NS(=O)(=O)c2ccc(CC#N)cc2Cl)[C@@H](C)C1 ZINC000451275901 560297684 /nfs/dbraw/zinc/29/76/84/560297684.db2.gz YQWNRADHMRLOLE-WFASDCNBSA-N 1 0 355.891 2.413 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)CCN2CCC[C@H]2COc2ccccc2)nc1 ZINC000451316181 560299865 /nfs/dbraw/zinc/29/98/65/560299865.db2.gz SGHAGQDECRCYSO-KRWDZBQOSA-N 1 0 371.462 2.270 20 30 FEEDRO COC[C@]1(C(=O)OC)CC[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000451338428 560301165 /nfs/dbraw/zinc/30/11/65/560301165.db2.gz SQFDUMPZKQBYLY-KRWDZBQOSA-N 1 0 371.355 2.448 20 30 FEEDRO C[N@@H+]1CC[C@H]2CCN(S(=O)(=O)c3ccc(CC#N)cc3Cl)[C@@H]2C1 ZINC000451382675 560303626 /nfs/dbraw/zinc/30/36/26/560303626.db2.gz ITABEZXUSLFEGR-DZGCQCFKSA-N 1 0 353.875 2.121 20 30 FEEDRO C[C@H]1CN(CC(F)(F)F)CC[N@H+](C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000451880587 560334082 /nfs/dbraw/zinc/33/40/82/560334082.db2.gz WZPXEQDVXIVICT-GDBMZVCRSA-N 1 0 371.403 2.114 20 30 FEEDRO C=CCn1c([C@@H]2CCCCO2)nnc1N1CC[N@H+](CCOC)[C@H](CC)C1 ZINC000453438655 560386704 /nfs/dbraw/zinc/38/67/04/560386704.db2.gz KQOROEOKUYCHRQ-SJORKVTESA-N 1 0 363.506 2.253 20 30 FEEDRO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1ccc(CC#N)cc1Cl ZINC000453640079 560392649 /nfs/dbraw/zinc/39/26/49/560392649.db2.gz GKLLJZQISXWWSF-LBPRGKRZSA-N 1 0 350.850 2.191 20 30 FEEDRO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 ZINC000453647262 560393208 /nfs/dbraw/zinc/39/32/08/560393208.db2.gz RLJKSSDVJLIUTN-INIZCTEOSA-N 1 0 372.469 2.275 20 30 FEEDRO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1sc(C(C)(C)C)cc1C#N)C1CC1 ZINC000453650608 560393405 /nfs/dbraw/zinc/39/34/05/560393405.db2.gz XAVIVDDZLMJQDC-CYBMUJFWSA-N 1 0 362.499 2.312 20 30 FEEDRO C[NH+](C)CCN(Cc1cccs1)C(=O)C(=O)Nc1cccc(CC#N)c1 ZINC000453668471 560395180 /nfs/dbraw/zinc/39/51/80/560395180.db2.gz KHFJLUOFEFILSI-UHFFFAOYSA-N 1 0 370.478 2.343 20 30 FEEDRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2cccc(CC#N)c2)C1 ZINC000453679637 560396115 /nfs/dbraw/zinc/39/61/15/560396115.db2.gz YOEIHBPETZRQMB-KRWDZBQOSA-N 1 0 356.470 2.175 20 30 FEEDRO C[NH+](C)CCCC1CCN(C(=O)C(=O)Nc2cccc(CC#N)c2)CC1 ZINC000453690971 560397149 /nfs/dbraw/zinc/39/71/49/560397149.db2.gz RDUAXZWHHJNYQF-UHFFFAOYSA-N 1 0 356.470 2.272 20 30 FEEDRO N#CCc1cccc(NC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCCC2)c1 ZINC000453705000 560398262 /nfs/dbraw/zinc/39/82/62/560398262.db2.gz GJSOULSUEPKYPW-SFHVURJKSA-N 1 0 354.454 2.168 20 30 FEEDRO C=CCC[C@@H](CO)NC(=O)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000454053070 560425254 /nfs/dbraw/zinc/42/52/54/560425254.db2.gz HWFSGERNURJZEQ-SFHVURJKSA-N 1 0 359.470 2.054 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1NC(=O)NCCC[N@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000454320961 560439638 /nfs/dbraw/zinc/43/96/38/560439638.db2.gz IVBQOKFAWFNDIH-AQNXPRMDSA-N 1 0 372.513 2.008 20 30 FEEDRO C[N@H+](Cc1ccccc1)C1(CNC(=O)N=c2ccn(CCC#N)[nH]2)CCC1 ZINC000454830966 560459956 /nfs/dbraw/zinc/45/99/56/560459956.db2.gz ORBNCCVAHYIROR-UHFFFAOYSA-N 1 0 366.469 2.973 20 30 FEEDRO C[NH+](C)C1CCN(CCNC(=O)C(C)(C)Cc2ccc(C#N)cc2)CC1 ZINC000455894448 560499513 /nfs/dbraw/zinc/49/95/13/560499513.db2.gz DZWSTIOXELQEOF-UHFFFAOYSA-N 1 0 356.514 2.269 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccnc(OCC(F)(F)F)n2)CC1 ZINC000455982749 560503256 /nfs/dbraw/zinc/50/32/56/560503256.db2.gz LUSXAXDTJMYMHN-UHFFFAOYSA-N 1 0 373.379 2.580 20 30 FEEDRO C[N@H+](CCCO)C1CCN(C(=O)C(C)(C)Cc2ccc(C#N)cc2)CC1 ZINC000456003009 560504047 /nfs/dbraw/zinc/50/40/47/560504047.db2.gz OIOKBEZZXQMTIM-UHFFFAOYSA-N 1 0 357.498 2.432 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1NC(=O)NCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000458660338 560638991 /nfs/dbraw/zinc/63/89/91/560638991.db2.gz SPSUXBCATSFRAP-AQNXPRMDSA-N 1 0 373.497 2.176 20 30 FEEDRO C=C(C)[C@H]1OCC[C@H]1CNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC000458734779 560644583 /nfs/dbraw/zinc/64/45/83/560644583.db2.gz MTTXLPWWHMCUPO-QRXAFDDPSA-N 1 0 365.518 2.251 20 30 FEEDRO CC(C)(CC#N)CNC(=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000459260447 560676416 /nfs/dbraw/zinc/67/64/16/560676416.db2.gz QIEMQJKNKMGLDY-MSOLQXFVSA-N 1 0 358.486 2.108 20 30 FEEDRO C=C(C)CN(CC)C(=O)C(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000459821106 560710887 /nfs/dbraw/zinc/71/08/87/560710887.db2.gz KDNYTEWDLYGIOB-UHFFFAOYSA-N 1 0 358.486 2.181 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000459866744 560714815 /nfs/dbraw/zinc/71/48/15/560714815.db2.gz LGLQFRXIONGSSH-INIZCTEOSA-N 1 0 361.511 2.350 20 30 FEEDRO C=CCN(CCc1ccccc1)C(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000460067411 560732768 /nfs/dbraw/zinc/73/27/68/560732768.db2.gz PTKUDNOLVKPTLQ-FQEVSTJZSA-N 1 0 369.509 2.331 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1ccccc1C[S@@](C)=O ZINC000460243338 560739010 /nfs/dbraw/zinc/73/90/10/560739010.db2.gz VVEOJTSHXDZMFU-XMMPIXPASA-N 1 0 350.488 2.264 20 30 FEEDRO CCC[N@H+](CC)C[C@H](C)NC(=O)CCc1c(C)nc2c(C#N)cnn2c1C ZINC000461646229 560778803 /nfs/dbraw/zinc/77/88/03/560778803.db2.gz KPNBHGQHVSLOMW-AWEZNQCLSA-N 1 0 370.501 2.387 20 30 FEEDRO N#C[C@H]1CCC[C@H]1NC(=O)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000461778039 560783087 /nfs/dbraw/zinc/78/30/87/560783087.db2.gz WHVMQAWSZUNTIY-SJLPKXTDSA-N 1 0 354.454 2.072 20 30 FEEDRO COc1cc(C[N@@H+]2C[C@H](O)C[C@@H]2CO)ccc1OCc1cccc(C#N)c1 ZINC000462339191 560806813 /nfs/dbraw/zinc/80/68/13/560806813.db2.gz XXYOPTPNOQGARX-RTBURBONSA-N 1 0 368.433 2.073 20 30 FEEDRO COc1cc(C#N)ccc1S(=O)(=O)NC[C@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000463672193 560820896 /nfs/dbraw/zinc/82/08/96/560820896.db2.gz IFVPTLMCAZGIMT-KBPBESRZSA-N 1 0 351.472 2.108 20 30 FEEDRO C[C@@H]1CN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)C[C@H]1[NH+](C)C ZINC000465181743 560859764 /nfs/dbraw/zinc/85/97/64/560859764.db2.gz DWMHTZXCXIKYMU-SIXWZSSISA-N 1 0 373.476 2.258 20 30 FEEDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)CCC(=O)N(CCC#N)c1ccccc1 ZINC000467022146 560901812 /nfs/dbraw/zinc/90/18/12/560901812.db2.gz HCFSLQYJDLFONU-VQIMIIECSA-N 1 0 368.481 2.312 20 30 FEEDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000467059688 560902590 /nfs/dbraw/zinc/90/25/90/560902590.db2.gz VNSPNBDZNUNWOD-GUYCJALGSA-N 1 0 354.454 2.025 20 30 FEEDRO C=CCOc1cc(OC)ccc1C(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000468014034 560921102 /nfs/dbraw/zinc/92/11/02/560921102.db2.gz NEAAGOREDPZYEI-UHFFFAOYSA-N 1 0 362.470 2.179 20 30 FEEDRO COc1ccnc(CC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000469445004 560955669 /nfs/dbraw/zinc/95/56/69/560955669.db2.gz VDFQYFBOEGRFCY-UHFFFAOYSA-N 1 0 364.449 2.239 20 30 FEEDRO CC[N@H+](Cc1ccc(C(=O)N(C)C)cc1)[C@@H](C)C(=O)NC1(C#N)CCC1 ZINC000469598809 560959215 /nfs/dbraw/zinc/95/92/15/560959215.db2.gz MNWIJOGAMIXGSC-HNNXBMFYSA-N 1 0 356.470 2.161 20 30 FEEDRO CCN(C[C@@H]1CC[N@H+](CC(=O)N(CC)C[C@@H](C)C#N)C1)CC(F)(F)F ZINC000470367729 560979621 /nfs/dbraw/zinc/97/96/21/560979621.db2.gz SGQSDCYZBVCPDX-GJZGRUSLSA-N 1 0 362.440 2.201 20 30 FEEDRO Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N3CC[N@@H+](C)CC[C@H]3C)C2)n1 ZINC000471953474 561015006 /nfs/dbraw/zinc/01/50/06/561015006.db2.gz QLEADHPNSNRUTK-AEFFLSMTSA-N 1 0 355.486 2.031 20 30 FEEDRO CC(C)[NH+]1CCC(O)(CNC(=O)CSCc2ccc(C#N)cc2)CC1 ZINC000472433801 561026387 /nfs/dbraw/zinc/02/63/87/561026387.db2.gz ACJYVLRWCTZMEU-UHFFFAOYSA-N 1 0 361.511 2.143 20 30 FEEDRO C[NH+](C)Cc1ccc(S(=O)(=O)N(CCC#N)Cc2ccccn2)cc1 ZINC000472681496 561032805 /nfs/dbraw/zinc/03/28/05/561032805.db2.gz DNRRNBASDULYCI-UHFFFAOYSA-N 1 0 358.467 2.248 20 30 FEEDRO CC(C)[C@@H](CNC(=O)C[C@H](CC#N)c1ccccc1)[NH+]1CCN(C)CC1 ZINC000475940576 561108209 /nfs/dbraw/zinc/10/82/09/561108209.db2.gz TWNOKQALLFWYIL-VQTJNVASSA-N 1 0 356.514 2.462 20 30 FEEDRO CC(C)[C@@H](CNC(=O)C[C@@H](CC#N)c1ccccc1)[NH+]1CCN(C)CC1 ZINC000475940577 561108244 /nfs/dbraw/zinc/10/82/44/561108244.db2.gz TWNOKQALLFWYIL-WOJBJXKFSA-N 1 0 356.514 2.462 20 30 FEEDRO CC(C)COC1CC[NH+](CC#CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000528353806 562324398 /nfs/dbraw/zinc/32/43/98/562324398.db2.gz NULNUCICOXCNCS-UHFFFAOYSA-N 1 0 354.450 2.423 20 30 FEEDRO O=C1c2ccccc2C(=O)N1CC#CCN1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000528388263 562326356 /nfs/dbraw/zinc/32/63/56/562326356.db2.gz OSFCUZWFZVOWSP-GOSISDBHSA-N 1 0 365.477 2.236 20 30 FEEDRO N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000528435102 562329118 /nfs/dbraw/zinc/32/91/18/562329118.db2.gz ZADFPKRWTTWPEF-IRXDYDNUSA-N 1 0 367.453 2.173 20 30 FEEDRO C[C@@](O)(C1CC[NH+](C[C@@H](O)COc2ccccc2C#N)CC1)C(F)(F)F ZINC000528452018 562330151 /nfs/dbraw/zinc/33/01/51/562330151.db2.gz KMRCTQHWSNZXCU-NVXWUHKLSA-N 1 0 372.387 2.323 20 30 FEEDRO CC(C)[C@H]1CN(S(=O)(=O)CC2(C#N)CC2)CCN1Cc1ccccc1 ZINC000528488875 562331964 /nfs/dbraw/zinc/33/19/64/562331964.db2.gz KIYOZARICIRPAN-GOSISDBHSA-N 1 0 361.511 2.462 20 30 FEEDRO CO[C@H]1C[C@H]([N@H+](C)CC#CCN2C(=O)c3ccccc3C2=O)C12CCC2 ZINC000528515466 562333454 /nfs/dbraw/zinc/33/34/54/562333454.db2.gz AAUDULZDNMXRNK-ROUUACIJSA-N 1 0 352.434 2.175 20 30 FEEDRO Cn1cc(CN2CC[C@H]3CC[C@@H](C2)S3(=O)=O)c(-c2ccc(C#N)cc2)n1 ZINC000528777383 562347134 /nfs/dbraw/zinc/34/71/34/562347134.db2.gz BAZLTGUZJRKXJR-MSOLQXFVSA-N 1 0 370.478 2.110 20 30 FEEDRO COCc1ccc(NC(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)cc1C#N ZINC000529208953 562364897 /nfs/dbraw/zinc/36/48/97/562364897.db2.gz ATALRWOEEHYCGP-CQSZACIVSA-N 1 0 360.458 2.014 20 30 FEEDRO COCc1ccc(NC(=O)N(C)CC2CC[NH+](C[C@@H](C)O)CC2)cc1C#N ZINC000529214692 562365211 /nfs/dbraw/zinc/36/52/11/562365211.db2.gz XUDBIFNRWOPDIV-OAHLLOKOSA-N 1 0 374.485 2.261 20 30 FEEDRO N#Cc1ccc(CC(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)cn1 ZINC000529222993 562365517 /nfs/dbraw/zinc/36/55/17/562365517.db2.gz RJTPUJGUNNSPOW-UHFFFAOYSA-N 1 0 366.387 2.417 20 30 FEEDRO N#Cc1ccccc1OC[C@H](O)C[NH2+][C@H]1CCO[C@H](c2ccncc2)C1 ZINC000530233101 562403211 /nfs/dbraw/zinc/40/32/11/562403211.db2.gz HKNQTDAWBJWPNL-NSHGMRRFSA-N 1 0 353.422 2.203 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)C[C@@H](CC#N)c2ccccc2)c1C#N ZINC000530424529 562410542 /nfs/dbraw/zinc/41/05/42/562410542.db2.gz IZDAVSKTGDEREV-OAHLLOKOSA-N 1 0 350.426 2.459 20 30 FEEDRO CC1CC(C#N)(C(=O)Nc2ccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)cc2)C1 ZINC000531808006 562457287 /nfs/dbraw/zinc/45/72/87/562457287.db2.gz HOEJJUUSACGCAV-FXUPRZHBSA-N 1 0 354.454 2.262 20 30 FEEDRO CC1CC(C#N)(C(=O)NCc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)C1 ZINC000532066777 562465772 /nfs/dbraw/zinc/46/57/72/562465772.db2.gz IOYLIJFOHGLJMP-UHFFFAOYSA-N 1 0 368.481 2.068 20 30 FEEDRO N#Cc1ccc([C@@H](C(N)=O)N2CC[NH+](CCc3cccs3)CC2)cc1 ZINC000532928787 562492798 /nfs/dbraw/zinc/49/27/98/562492798.db2.gz MHZPXSJEFZQQQU-SFHVURJKSA-N 1 0 354.479 2.006 20 30 FEEDRO CC[C@H](C)[C@@H]1CCCC[N@@H+]1CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 ZINC000533289958 562503995 /nfs/dbraw/zinc/50/39/95/562503995.db2.gz HSWNPGCJBYHECG-YJBOKZPZSA-N 1 0 373.501 2.404 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(F)c1 ZINC000533451826 562509308 /nfs/dbraw/zinc/50/93/08/562509308.db2.gz FXVWCZIKYHIUQC-WMLDXEAASA-N 1 0 363.458 2.335 20 30 FEEDRO C[C@@H]1C[C@H](CCNC(=O)N2CCO[C@@H](C#N)C2)C[N@@H+]1Cc1ccccc1 ZINC000533578396 562513742 /nfs/dbraw/zinc/51/37/42/562513742.db2.gz ADFLEHFEMGHPHP-NEWSRXKRSA-N 1 0 356.470 2.221 20 30 FEEDRO N#Cc1ccc(Oc2ccc(C(=O)NCCNc3cc[nH+]cc3)cc2)nc1 ZINC000534525711 562535921 /nfs/dbraw/zinc/53/59/21/562535921.db2.gz VHIYYRJMQLDZOL-UHFFFAOYSA-N 1 0 359.389 2.404 20 30 FEEDRO CNC(=O)CCOC1CC[NH+](Cc2cccc(OCCCC#N)c2)CC1 ZINC000535800855 562568401 /nfs/dbraw/zinc/56/84/01/562568401.db2.gz SSNYQRRSBKGPPO-UHFFFAOYSA-N 1 0 359.470 2.486 20 30 FEEDRO N#Cc1ccc(N2CCC[C@H]([NH2+]C3CCN(C(=O)C4CC4)CC3)C2=O)cc1 ZINC000540906083 562596415 /nfs/dbraw/zinc/59/64/15/562596415.db2.gz VJHVSQBYYZMZTN-IBGZPJMESA-N 1 0 366.465 2.044 20 30 FEEDRO Cn1cc(C(=O)NCC2CC[NH+](Cc3ccc(CC#N)cc3)CC2)cn1 ZINC000541352142 562610014 /nfs/dbraw/zinc/61/00/14/562610014.db2.gz KKHLHIXSCGYYLB-UHFFFAOYSA-N 1 0 351.454 2.128 20 30 FEEDRO C=C(C)C[C@H](NC(=O)c1ccc2[nH]c3c(c2c1)CN(C)CC3)C(=O)OC ZINC000601781794 567839943 /nfs/dbraw/zinc/83/99/43/567839943.db2.gz LQSBPSSICAXJCK-SFHVURJKSA-N 1 0 355.438 2.393 20 30 FEEDRO Cc1ccc(NC(=O)C(=O)N(C)[C@H]2CCC[C@@H]2C#N)c(OCC[NH+](C)C)c1 ZINC000602072569 567916318 /nfs/dbraw/zinc/91/63/18/567916318.db2.gz DECBKXUKNOADON-WBVHZDCISA-N 1 0 372.469 2.025 20 30 FEEDRO C[NH+](C)CCn1c2cc(C(=O)N3CCC[C@H](CC#N)C3)ccc2[nH]c1=O ZINC000602178161 567942324 /nfs/dbraw/zinc/94/23/24/567942324.db2.gz JUDXXDUJJAKPLA-CQSZACIVSA-N 1 0 355.442 2.069 20 30 FEEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000602557806 567991355 /nfs/dbraw/zinc/99/13/55/567991355.db2.gz JGANRLKZLFIOJJ-WIYYLYMNSA-N 1 0 357.498 2.312 20 30 FEEDRO N#CCCN(C(=O)C[N@@H+]1CCC[C@@H](n2ccnn2)CC1)c1ccccc1 ZINC000602889439 568006799 /nfs/dbraw/zinc/00/67/99/568006799.db2.gz RILKKYOWNUPKHX-GOSISDBHSA-N 1 0 352.442 2.252 20 30 FEEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]CCn1cc(Br)ccc1=O ZINC000602674333 568008689 /nfs/dbraw/zinc/00/86/89/568008689.db2.gz OOHZFMUXZZRXOE-CYBMUJFWSA-N 1 0 368.275 2.299 20 30 FEEDRO COc1ccc(N2C[C@@H]([NH2+][C@H](C)CC3(C#N)CCOCC3)CC2=O)cc1 ZINC000602709896 568018886 /nfs/dbraw/zinc/01/88/86/568018886.db2.gz JPPZFKBYMPPMDM-CVEARBPZSA-N 1 0 357.454 2.489 20 30 FEEDRO CC1([NH+]2CCCC2)CCN(C[C@@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000602950096 568020200 /nfs/dbraw/zinc/02/02/00/568020200.db2.gz IJPKTVRDIDVPFW-LJQANCHMSA-N 1 0 357.498 2.443 20 30 FEEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H]1CN(C)CCN1Cc1ccccc1 ZINC000602722083 568023091 /nfs/dbraw/zinc/02/30/91/568023091.db2.gz LZIXBFCYABXRNO-PZJWPPBQSA-N 1 0 370.541 2.491 20 30 FEEDRO C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CCN(Cc2ccc(O)cc2)CC1 ZINC000603006759 568050123 /nfs/dbraw/zinc/05/01/23/568050123.db2.gz LGPAACVMDCCHJZ-KRWDZBQOSA-N 1 0 370.497 2.241 20 30 FEEDRO C[C@H]1CN(C(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2C(F)(F)F)C[C@H](C)N1CC#N ZINC000603087987 568059356 /nfs/dbraw/zinc/05/93/56/568059356.db2.gz CFNDHGFIIFTBOA-BYNSBNAKSA-N 1 0 374.451 2.340 20 30 FEEDRO Cc1cc(C)cc(N(CCC#N)C(=O)Cn2cc([C@H]3CCC[NH2+]C3)nn2)c1 ZINC000603186389 568071497 /nfs/dbraw/zinc/07/14/97/568071497.db2.gz IZPJBYPFNJKWOF-KRWDZBQOSA-N 1 0 366.469 2.309 20 30 FEEDRO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N(C)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000603554265 568116431 /nfs/dbraw/zinc/11/64/31/568116431.db2.gz VURYPQFCVDUMFF-YCRPNKLZSA-N 1 0 370.497 2.454 20 30 FEEDRO CCOc1ccc(OC[C@@H](O)C[NH2+]Cc2ccc(C#N)c(OC)c2)cc1 ZINC000569111919 568278058 /nfs/dbraw/zinc/27/80/58/568278058.db2.gz DWSHCFMRYMTCTK-KRWDZBQOSA-N 1 0 356.422 2.495 20 30 FEEDRO COc1cc(CNC(=O)NCC[N@H+](C)Cc2ccccc2)ccc1C#N ZINC000569164200 568298359 /nfs/dbraw/zinc/29/83/59/568298359.db2.gz ZYPBZDUKGGCYCE-UHFFFAOYSA-N 1 0 352.438 2.498 20 30 FEEDRO Cc1cc(C[NH3+])cc(NC(=O)N2CCN(c3cnccc3C#N)CC2)c1 ZINC000569448717 568402764 /nfs/dbraw/zinc/40/27/64/568402764.db2.gz KAIOYNKEVXNUHU-UHFFFAOYSA-N 1 0 350.426 2.075 20 30 FEEDRO CC(C)[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3cccc(C#N)c3)C2)CC1 ZINC000569810403 568426694 /nfs/dbraw/zinc/42/66/94/568426694.db2.gz YBAWKWATROFJPY-PCCBWWKXSA-N 1 0 366.509 2.289 20 30 FEEDRO COC(=O)C1CC[NH+](CCCNc2cccc(-n3cccn3)c2C#N)CC1 ZINC000569988054 568446805 /nfs/dbraw/zinc/44/68/05/568446805.db2.gz JCVCLAAQPDPMTC-UHFFFAOYSA-N 1 0 367.453 2.431 20 30 FEEDRO C=CCN(CC=C)C(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000637185023 568533972 /nfs/dbraw/zinc/53/39/72/568533972.db2.gz DUQZFCZOOSPAJN-HKUYNNGSSA-N 1 0 355.482 2.071 20 30 FEEDRO C[C@H]([NH2+]CCC(=O)Nc1cccc(-c2nn[nH]n2)c1)c1ccc(C#N)cc1 ZINC000820420156 599303236 /nfs/dbraw/zinc/30/32/36/599303236.db2.gz NEBWSNCUNVOQHP-ZDUSSCGKSA-N 1 0 361.409 2.418 20 30 FEEDRO C[N@H+](CCC(=O)Nc1sccc1C#N)C1CN(C(=O)OC(C)(C)C)C1 ZINC000810072586 674529655 /nfs/dbraw/zinc/52/96/55/674529655.db2.gz ILYXFQQEACIZCL-UHFFFAOYSA-N 1 0 364.471 2.499 20 30 FEEDRO C#CCC[NH+]1CCN(c2ccc(C(F)(F)F)cc2-c2nn[nH]n2)CC1 ZINC000823844962 608376982 /nfs/dbraw/zinc/37/69/82/608376982.db2.gz LRGPQYBILQAWEQ-UHFFFAOYSA-N 1 0 350.348 2.031 20 30 FEEDRO Cc1ccnc(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1-c1nn[nH]n1 ZINC000826310852 609527572 /nfs/dbraw/zinc/52/75/72/609527572.db2.gz KLUZNOJETZBWIM-UHFFFAOYSA-N 1 0 374.452 2.154 20 30 FEEDRO C[C@@H]([NH2+][C@@H]1CCCN(S(=O)(=O)C2CC2)C1)c1ccc(C#N)cc1F ZINC000560572333 674600521 /nfs/dbraw/zinc/60/05/21/674600521.db2.gz RMUUOBXYWNECKT-TZMCWYRMSA-N 1 0 351.447 2.305 20 30 FEEDRO C#C[C@H](NC1CC[NH+](CCN2CCOCC2)CC1)c1ccc(Cl)cc1 ZINC000811516315 674610845 /nfs/dbraw/zinc/61/08/45/674610845.db2.gz KOQUARCOVVUENI-FQEVSTJZSA-N 1 0 361.917 2.401 20 30 FEEDRO C[C@H]1C(=NNC(=S)NCCC[NH+](C)C)CCCN1Cc1ccccc1 ZINC000814845199 674883577 /nfs/dbraw/zinc/88/35/77/674883577.db2.gz HNAWAPTUJBWMBZ-INIZCTEOSA-N 1 0 361.559 2.443 20 30 FEEDRO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)CCN1c1snc(C)c1C#N ZINC001048938234 675019137 /nfs/dbraw/zinc/01/91/37/675019137.db2.gz MRLAWTJDOHRLEP-XHSDSOJGSA-N 1 0 361.515 2.281 20 30 FEEDRO N#Cc1ccc(C[N@@H+]2C[C@H]3CN(C(=O)[C@@H]4C[C@H]5CC[C@@H]4O5)C[C@H]3C2)s1 ZINC001049074425 675022622 /nfs/dbraw/zinc/02/26/22/675022622.db2.gz XEOQUALVHCXOJQ-FOOXYVKASA-N 1 0 357.479 2.077 20 30 FEEDRO CSCC1CCC([NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)CC1 ZINC000564858299 675069409 /nfs/dbraw/zinc/06/94/09/675069409.db2.gz DVZBPMUANYTZDW-UHFFFAOYSA-N 1 0 353.513 2.238 20 30 FEEDRO C#CC[C@]1(C(=O)NC[C@@H](C)C[NH+](C)C)CCCN1C(=O)OC(C)(C)C ZINC000816721445 675075178 /nfs/dbraw/zinc/07/51/78/675075178.db2.gz ZVSOUQRVKWPELN-DNVCBOLYSA-N 1 0 351.491 2.093 20 30 FEEDRO C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(S(=O)(=O)CCC(C)(C)C#N)C1 ZINC000569532175 670573922 /nfs/dbraw/zinc/57/39/22/670573922.db2.gz RGHWVKLYDSLXQL-KRWDZBQOSA-N 1 0 364.515 2.105 20 30 FEEDRO C=CCn1c(-c2cnccn2)nn(CN(C)C[C@H]2CCC[N@@H+]2C)c1=S ZINC000817374718 675127050 /nfs/dbraw/zinc/12/70/50/675127050.db2.gz UZRUVGIREUCYCG-CQSZACIVSA-N 1 0 359.503 2.041 20 30 FEEDRO Cc1ccc(CNC2=[NH+]C[C@H]3CN(C(=O)OC(C)(C)C)CCN23)s1 ZINC000089120371 670694557 /nfs/dbraw/zinc/69/45/57/670694557.db2.gz YQNLIXBIBXXFEM-ZDUSSCGKSA-N 1 0 350.488 2.437 20 30 FEEDRO C=CCCS(=O)(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000092558704 670742084 /nfs/dbraw/zinc/74/20/84/670742084.db2.gz LXSBEOMNDRPAMA-UHFFFAOYSA-N 1 0 363.527 2.214 20 30 FEEDRO N#CC1(CS(=O)(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)CCC1 ZINC000571568033 670893939 /nfs/dbraw/zinc/89/39/39/670893939.db2.gz DHVIZPAYHSBVIT-CQSZACIVSA-N 1 0 353.513 2.498 20 30 FEEDRO N#Cc1c(Br)cccc1S(=O)(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000565891914 675158979 /nfs/dbraw/zinc/15/89/79/675158979.db2.gz IMEAJJBUXAEDOI-ZDUSSCGKSA-N 1 0 372.288 2.117 20 30 FEEDRO CCCCCCCC(=O)N1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000818015186 675190920 /nfs/dbraw/zinc/19/09/20/675190920.db2.gz KVJQJXPPGDHGCQ-IAGOWNOFSA-N 1 0 350.507 2.094 20 30 FEEDRO C[C@@H]1C[C@H](NS(=O)(=O)c2cccc(Br)c2C#N)CC[N@@H+]1C ZINC000578460576 671667105 /nfs/dbraw/zinc/66/71/05/671667105.db2.gz SKXGGJLOCKDQNY-GHMZBOCLSA-N 1 0 372.288 2.082 20 30 FEEDRO CN(CCC#N)C[C@H](O)C[NH2+][C@@H]1CCCN(c2ccccc2Cl)C1 ZINC000578499344 671669895 /nfs/dbraw/zinc/66/98/95/671669895.db2.gz JIJRPTXXOKRTQT-HZPDHXFCSA-N 1 0 350.894 2.105 20 30 FEEDRO C[N@H+](CCCc1[nH]nc(N)c1C#N)Cc1cc(C#N)ccc1Br ZINC000578975721 671702642 /nfs/dbraw/zinc/70/26/42/671702642.db2.gz QQHQEHQKHNGDSL-UHFFFAOYSA-N 1 0 373.258 2.562 20 30 FEEDRO CC(C)[N@H+](C)C[C@H](C)NC(=O)Nc1ccc(S(=O)(=O)[C@@H](C)C#N)cc1 ZINC000579292234 671725062 /nfs/dbraw/zinc/72/50/62/671725062.db2.gz BYYMCEGEMNNGNV-KBPBESRZSA-N 1 0 366.487 2.223 20 30 FEEDRO C#CCOc1cc(F)ccc1NC(=O)NC[C@H](CC[NH+](C)C)OCC ZINC000120353259 671923638 /nfs/dbraw/zinc/92/36/38/671923638.db2.gz XBUIIGFQZUSUIH-HNNXBMFYSA-N 1 0 351.422 2.316 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H]2CCCOc3ccccc32)nc1 ZINC000581809185 671937842 /nfs/dbraw/zinc/93/78/42/671937842.db2.gz HAJDUQRZHJFIPJ-MRXNPFEDSA-N 1 0 357.435 2.230 20 30 FEEDRO CC[NH+](CC)CC#C[C@@H](C)OC(=O)c1cc(S(C)(=O)=O)ccc1C ZINC000121515734 671951311 /nfs/dbraw/zinc/95/13/11/671951311.db2.gz MTJXDZTWMBKHHV-OAHLLOKOSA-N 1 0 351.468 2.289 20 30 FEEDRO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@H+](C)CCCNC(=O)OC(C)(C)C ZINC000125198937 672008249 /nfs/dbraw/zinc/00/82/49/672008249.db2.gz VEXCHHGRZIBKND-KSSFIOAISA-N 1 0 354.495 2.276 20 30 FEEDRO CCC[C@]1(C)CCCN(C(NCC2CCN(S(C)(=O)=O)CC2)=[NH+]C)C1 ZINC000127550702 672038626 /nfs/dbraw/zinc/03/86/26/672038626.db2.gz GTVPRGPZNDIWPH-GOSISDBHSA-N 1 0 372.579 2.136 20 30 FEEDRO CN(C)[C@@H](C[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)c1ccccc1 ZINC000610497408 675975906 /nfs/dbraw/zinc/97/59/06/675975906.db2.gz ZXVJHUDNFYYFGJ-IBGZPJMESA-N 1 0 357.479 2.224 20 30 FEEDRO CCc1cccc(CC)c1NC(=[NH2+])NC[C@H]1CCC[C@H]1NS(C)(=O)=O ZINC000134112256 672119887 /nfs/dbraw/zinc/11/98/87/672119887.db2.gz GWLYXINLHVOWOG-HZPDHXFCSA-N 1 0 366.531 2.256 20 30 FEEDRO Cc1ccccc1[C@H]([C@@H](C)NS(=O)(=O)c1cncc(C#N)c1)[NH+](C)C ZINC000584498459 672193503 /nfs/dbraw/zinc/19/35/03/672193503.db2.gz QOARBTVTTRMMDQ-KDOFPFPSSA-N 1 0 358.467 2.231 20 30 FEEDRO C[NH+]=C(NCc1nccs1)N[C@H]1CCN(c2c(F)cccc2F)C1 ZINC000154767130 672221467 /nfs/dbraw/zinc/22/14/67/672221467.db2.gz FCYZSBWOHXNNJL-NSHDSACASA-N 1 0 351.426 2.365 20 30 FEEDRO CC(C)CCC[C@H](C)NC(=[NH2+])NCCNS(=O)(=O)c1cccs1 ZINC000160472235 672291531 /nfs/dbraw/zinc/29/15/31/672291531.db2.gz VEZNMIJWPVDOCQ-ZDUSSCGKSA-N 1 0 360.549 2.146 20 30 FEEDRO COc1ccccc1CNC(=[NH2+])NCCCN(C)C(=O)OC(C)(C)C ZINC000170905567 672326874 /nfs/dbraw/zinc/32/68/74/672326874.db2.gz LKZZWCNVVHZRES-UHFFFAOYSA-N 1 0 350.463 2.357 20 30 FEEDRO CC(C)(C)OC(=O)N1CCN2C(NCCc3ccsc3)=[NH+]C[C@@H]2C1 ZINC000177001858 672378804 /nfs/dbraw/zinc/37/88/04/672378804.db2.gz MSHBFISLWIEFPO-CQSZACIVSA-N 1 0 350.488 2.171 20 30 FEEDRO COc1cc(CCNC(=[NH2+])N2CCCCCC2)c([N+](=O)[O-])cc1OC ZINC000177744438 672385922 /nfs/dbraw/zinc/38/59/22/672385922.db2.gz PHBWSDRHHXCLMU-UHFFFAOYSA-N 1 0 350.419 2.345 20 30 FEEDRO COc1ccc(OCC[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)cc1 ZINC000611080532 676015494 /nfs/dbraw/zinc/01/54/94/676015494.db2.gz AFQJBDFQAXKGCK-UHFFFAOYSA-N 1 0 360.435 2.009 20 30 FEEDRO Cc1cc(C#N)ccc1C[N@H+](C)CCOc1ccc(S(N)(=O)=O)cc1 ZINC000590120429 672560939 /nfs/dbraw/zinc/56/09/39/672560939.db2.gz ALLHXXFFCYVEHY-UHFFFAOYSA-N 1 0 359.451 2.025 20 30 FEEDRO N#Cc1ccc(C[NH2+]C[C@H](O)COc2ccc3c(c2)OCO3)cc1Cl ZINC000591765947 672709105 /nfs/dbraw/zinc/70/91/05/672709105.db2.gz VEUZWJMJTVIJTP-AWEZNQCLSA-N 1 0 360.797 2.470 20 30 FEEDRO N#CC[C@]1(O)CCN(C(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)C1 ZINC000591938708 672723937 /nfs/dbraw/zinc/72/39/37/672723937.db2.gz KGLAIFFTKIHHNG-YJBOKZPZSA-N 1 0 362.499 2.020 20 30 FEEDRO C[C@@H](NC(=O)CSCC#N)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000194859943 672770163 /nfs/dbraw/zinc/77/01/63/672770163.db2.gz KEEYQJVZHGIJKK-CYBMUJFWSA-N 1 0 350.463 2.011 20 30 FEEDRO N#Cc1cc(Br)ccc1N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000611925874 676060417 /nfs/dbraw/zinc/06/04/17/676060417.db2.gz KVGDBUDPHMRWIE-JKSUJKDBSA-N 1 0 350.260 2.356 20 30 FEEDRO N#Cc1cc(S(=O)(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)ccc1Cl ZINC000592389405 672796222 /nfs/dbraw/zinc/79/62/22/672796222.db2.gz YPGGGDMUNDUKSG-ZDUSSCGKSA-N 1 0 353.875 2.222 20 30 FEEDRO N#Cc1ccsc1NC(=O)CC[NH2+][C@@H](C1CC1)C1(CO)CCOCC1 ZINC000592432157 672801587 /nfs/dbraw/zinc/80/15/87/672801587.db2.gz GRZJFGPMECMBCE-INIZCTEOSA-N 1 0 363.483 2.106 20 30 FEEDRO C=C(Br)CNC(=O)N[C@H]1CC[N@@H+](CCCOCC)C[C@@H]1C ZINC000247128566 672846962 /nfs/dbraw/zinc/84/69/62/672846962.db2.gz GYMMZULVWUOCPZ-JSGCOSHPSA-N 1 0 362.312 2.331 20 30 FEEDRO C[NH+]=C(NCC1(CCO)CCCC1)N1CCN(c2cccs2)CC1 ZINC000261774566 672903140 /nfs/dbraw/zinc/90/31/40/672903140.db2.gz OLHOFCJHTYYRGF-UHFFFAOYSA-N 1 0 350.532 2.388 20 30 FEEDRO C[NH+]=C(NCC1(CO)CCOCC1)N1CCSC2(CCCCC2)C1 ZINC000261782612 672903164 /nfs/dbraw/zinc/90/31/64/672903164.db2.gz PLZJATWSTMWWKL-UHFFFAOYSA-N 1 0 355.548 2.103 20 30 FEEDRO CCC[C@]1(C)CCCN(C(NCc2ccc(S(N)(=O)=O)s2)=[NH+]C)C1 ZINC000261915643 672904835 /nfs/dbraw/zinc/90/48/35/672904835.db2.gz JVYRPEMXKFOGMP-MRXNPFEDSA-N 1 0 372.560 2.373 20 30 FEEDRO CC[C@H]1CN(C(NCc2cccs2)=[NH+]CC(=O)N(C)C)CCS1 ZINC000262250231 672911892 /nfs/dbraw/zinc/91/18/92/672911892.db2.gz BVBDILHQTSQXCY-ZDUSSCGKSA-N 1 0 354.545 2.109 20 30 FEEDRO CC(C)c1cccc(NC(=[NH2+])NC[C@@H]2CCCCN2S(C)(=O)=O)c1 ZINC000262632166 672918305 /nfs/dbraw/zinc/91/83/05/672918305.db2.gz FXYXZXWEZSKDAM-INIZCTEOSA-N 1 0 352.504 2.351 20 30 FEEDRO COc1ccc(OC)c(NC(=[NH2+])NCc2nn(C)cc2Br)c1 ZINC000263027512 672925984 /nfs/dbraw/zinc/92/59/84/672925984.db2.gz AVQCOOBSFGPDKC-UHFFFAOYSA-N 1 0 368.235 2.127 20 30 FEEDRO C[N@@H+]1CCC[C@H](CNC(=O)Cc2ccc(Br)cc2C#N)C1 ZINC000593455548 672926063 /nfs/dbraw/zinc/92/60/63/672926063.db2.gz VWBKCYSDEHXCGQ-GFCCVEGCSA-N 1 0 350.260 2.321 20 30 FEEDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)Cc1ccc(Br)cc1C#N ZINC000593521711 672932837 /nfs/dbraw/zinc/93/28/37/672932837.db2.gz OPDMEUSXBYHIIS-MEDUHNTESA-N 1 0 362.271 2.462 20 30 FEEDRO N#Cc1cc(S(=O)(=O)N2CCC(CC[NH3+])CC2)ccc1C(F)(F)F ZINC000593729595 672983500 /nfs/dbraw/zinc/98/35/00/672983500.db2.gz GWHZKDIBIUVWMM-UHFFFAOYSA-N 1 0 361.389 2.327 20 30 FEEDRO [NH2+]=C(NCCc1cccs1)NCc1ccccc1CN1CCOCC1 ZINC000303786523 673017701 /nfs/dbraw/zinc/01/77/01/673017701.db2.gz RMTSLTCVQRVDTE-UHFFFAOYSA-N 1 0 358.511 2.227 20 30 FEEDRO CC(C)NS(=O)(=O)Cc1ccc(CNC(=[NH2+])N2CCC[C@@H](C)C2)cc1 ZINC000303874272 673017912 /nfs/dbraw/zinc/01/79/12/673017912.db2.gz HCDQTJBUZZNKRA-OAHLLOKOSA-N 1 0 366.531 2.061 20 30 FEEDRO O=C(NC1CC[NH+](CC2CC2)CC1)N1CCN(Cc2cscn2)CC1 ZINC000328872411 673068472 /nfs/dbraw/zinc/06/84/72/673068472.db2.gz QPIHBCAQFBBXDF-UHFFFAOYSA-N 1 0 363.531 2.049 20 30 FEEDRO CO[C@H]1C[C@@H](C(N)=O)N(C(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)C1 ZINC000329045226 673071567 /nfs/dbraw/zinc/07/15/67/673071567.db2.gz JGLSVWALSDQBMY-VDERGJSUSA-N 1 0 352.479 2.178 20 30 FEEDRO N#CCCCC[C@@H]([NH3+])C(=O)N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000594444833 673073036 /nfs/dbraw/zinc/07/30/36/673073036.db2.gz DFSLKYATJVXXLC-CABCVRRESA-N 1 0 366.824 2.112 20 30 FEEDRO N#CCCCC[C@@H]([NH3+])C(=O)NCc1cc2c(cc1OC(F)F)OCO2 ZINC000594446481 673073325 /nfs/dbraw/zinc/07/33/25/673073325.db2.gz UKKOOQUCEYIAEO-LLVKDONJSA-N 1 0 355.341 2.044 20 30 FEEDRO Cc1cnc([C@H](C)NC(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)o1 ZINC000329409695 673076719 /nfs/dbraw/zinc/07/67/19/673076719.db2.gz CSLLCIMMLAQGPP-IMJJTQAJSA-N 1 0 350.463 2.316 20 30 FEEDRO Cc1ncc(CN2CCN(C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@H]34)CC2)s1 ZINC000329498059 673078538 /nfs/dbraw/zinc/07/85/38/673078538.db2.gz XSJNBJGYEAUXAW-IAGOWNOFSA-N 1 0 363.531 2.110 20 30 FEEDRO C[NH+]1CCC(CC(=O)N2CCN(C(=O)NC3CCCCC3)CC2)CC1 ZINC000329587453 673079683 /nfs/dbraw/zinc/07/96/83/673079683.db2.gz MSLWVDIWZNZJEG-UHFFFAOYSA-N 1 0 350.507 2.109 20 30 FEEDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)S(=O)(=O)c1cccc(C(=O)NC2CC2)c1 ZINC000329741896 673082804 /nfs/dbraw/zinc/08/28/04/673082804.db2.gz OZAKNYFSEMFSOC-CXAGYDPISA-N 1 0 365.499 2.114 20 30 FEEDRO COC(=O)CCC[NH+]1CCC(=NNC(=S)N[C@H]2CCCC[C@H]2C)CC1 ZINC000727058509 673152301 /nfs/dbraw/zinc/15/23/01/673152301.db2.gz ACEJSTRWYFBELL-ZBFHGGJFSA-N 1 0 368.547 2.434 20 30 FEEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCC1([NH3+])CCCC1 ZINC000595238319 673212677 /nfs/dbraw/zinc/21/26/77/673212677.db2.gz RSRYDFLFOSJAGY-CYBMUJFWSA-N 1 0 360.483 2.407 20 30 FEEDRO C[NH+](C)C1CCC2(CC1)CCN(S(=O)(=O)c1ccc(C#N)nc1)CC2 ZINC000595346689 673228878 /nfs/dbraw/zinc/22/88/78/673228878.db2.gz HZIKNPLAPQHVGJ-UHFFFAOYSA-N 1 0 362.499 2.228 20 30 FEEDRO COC(=O)c1coc(C(=O)C(C(=S)NC2CC2)[n+]2ccc(C)cc2)c1 ZINC000729667322 673243603 /nfs/dbraw/zinc/24/36/03/673243603.db2.gz CHDIYIIXZGNHQW-UHFFFAOYSA-O 1 0 359.427 2.353 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)NC[C@H]2CCC[N@H+](CC3CC3)C2)c(F)c1 ZINC000595409188 673245367 /nfs/dbraw/zinc/24/53/67/673245367.db2.gz AYWNQDQIGALLTN-OAHLLOKOSA-N 1 0 351.447 2.098 20 30 FEEDRO CO[C@]1(CO)CCC[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000595663716 673280531 /nfs/dbraw/zinc/28/05/31/673280531.db2.gz SRIOTAOTMRTJKA-QGZVFWFLSA-N 1 0 351.834 2.014 20 30 FEEDRO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)C[C@@H]1COCCO1 ZINC000595746040 673288629 /nfs/dbraw/zinc/28/86/29/673288629.db2.gz ZUUSJUFGOROMGF-CYBMUJFWSA-N 1 0 363.483 2.174 20 30 FEEDRO CC(C)S(=O)(=O)CCC[NH2+]C1(c2cccc(C#N)c2)CCOCC1 ZINC000595764207 673290605 /nfs/dbraw/zinc/29/06/05/673290605.db2.gz HIPWEGUXCQKYGT-UHFFFAOYSA-N 1 0 350.484 2.367 20 30 FEEDRO COC(=O)c1cnc([C@@H]2CCCN(C(=O)[C@@H]([NH3+])CCCCC#N)C2)s1 ZINC000595998046 673346958 /nfs/dbraw/zinc/34/69/58/673346958.db2.gz WPZIULBVQSMXNI-OLZOCXBDSA-N 1 0 364.471 2.047 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H]2[C@@H]3Cc4cc(F)ccc4[C@@H]32)cc1 ZINC000596066389 673355445 /nfs/dbraw/zinc/35/54/45/673355445.db2.gz OCPYKXCREFUYKU-CEXWTWQISA-N 1 0 356.422 2.399 20 30 FEEDRO C[C@@H](c1ccccc1)[C@H](O)C[NH2+]CCS(=O)(=O)c1cccc(C#N)c1 ZINC000596068223 673355514 /nfs/dbraw/zinc/35/55/14/673355514.db2.gz GESVQKRYPHDASX-HNAYVOBHSA-N 1 0 358.463 2.086 20 30 FEEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SC[C@H]1CCOCO1 ZINC000732738606 673380413 /nfs/dbraw/zinc/38/04/13/673380413.db2.gz SDNVWKMEGRAPSK-OAHLLOKOSA-N 1 0 352.504 2.348 20 30 FEEDRO N#Cc1cc(F)c(N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cc1Br ZINC000596537921 673392393 /nfs/dbraw/zinc/39/23/93/673392393.db2.gz JWIFVGOVCYOFKE-CYBMUJFWSA-N 1 0 368.250 2.495 20 30 FEEDRO COc1ccc(C(=O)NC2(C#N)CC[NH+](C)CC2)c(Br)c1 ZINC000537903295 673413552 /nfs/dbraw/zinc/41/35/52/673413552.db2.gz KIAPEOOUNYQUHI-UHFFFAOYSA-N 1 0 352.232 2.175 20 30 FEEDRO CC(C)(C#N)C[C@H](O)C[N@@H+]1CCC[C@H](S(=O)(=O)Nc2ccccc2)C1 ZINC000598601067 673588101 /nfs/dbraw/zinc/58/81/01/673588101.db2.gz DAWXZXPOACVYTB-IRXDYDNUSA-N 1 0 365.499 2.193 20 30 FEEDRO C=CCOc1ccccc1C[NH2+]CC1CCN(S(=O)(=O)CC)CC1 ZINC000542708484 673598756 /nfs/dbraw/zinc/59/87/56/673598756.db2.gz ZFYOGETWLNILSU-UHFFFAOYSA-N 1 0 352.500 2.403 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)cc1C(F)(F)F ZINC000598722658 673603450 /nfs/dbraw/zinc/60/34/50/673603450.db2.gz CLEIUICMBMBPDA-FZMZJTMJSA-N 1 0 359.373 2.079 20 30 FEEDRO CC(C)(C#N)C[C@@H](O)C[NH2+][C@@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 ZINC000598726639 673603615 /nfs/dbraw/zinc/60/36/15/673603615.db2.gz UAAJGOZGPCZFMQ-DGCLKSJQSA-N 1 0 353.825 2.475 20 30 FEEDRO N#CC1(C[C@@H](O)C[N@@H+]2CCC[C@H](OCC(F)(F)F)C2)CCOCC1 ZINC000599297623 673655441 /nfs/dbraw/zinc/65/54/41/673655441.db2.gz NYZQYEJGNVZIBY-KGLIPLIRSA-N 1 0 350.381 2.101 20 30 FEEDRO Cn1cc(Br)cc1C[N@H+](C)C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599312418 673656892 /nfs/dbraw/zinc/65/68/92/673656892.db2.gz RYDQUPUQQNPBEA-HNNXBMFYSA-N 1 0 370.291 2.291 20 30 FEEDRO Cc1ccc(C[N@H+](C)CCOc2ccc(S(N)(=O)=O)cc2)cc1C#N ZINC000599426250 673674365 /nfs/dbraw/zinc/67/43/65/673674365.db2.gz AAWYRODICNCUNC-UHFFFAOYSA-N 1 0 359.451 2.025 20 30 FEEDRO CCN(CC)S(=O)(=O)c1ccc(N=NC2CC[N@H+](CC)C[C@H]2C)nc1 ZINC000741454100 673687458 /nfs/dbraw/zinc/68/74/58/673687458.db2.gz BZKWGFGNRBVHGK-CQSZACIVSA-N 1 0 367.519 2.242 20 30 FEEDRO C[C@@H]1CC(N=Nc2ccc(S(=O)(=O)N3CCCCC3)cn2)CC[N@@H+]1C ZINC000741454419 673687529 /nfs/dbraw/zinc/68/75/29/673687529.db2.gz FDNSYJBITORTNU-CQSZACIVSA-N 1 0 365.503 2.138 20 30 FEEDRO CC(=NNC(=S)NCCC[NH+](C)C)c1c(Cl)nc2sccn21 ZINC000741841165 673699267 /nfs/dbraw/zinc/69/92/67/673699267.db2.gz ABTCYWLLRPYRNO-UHFFFAOYSA-N 1 0 358.924 2.189 20 30 FEEDRO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CC[NH+](CCCF)CC1 ZINC000599666659 673703769 /nfs/dbraw/zinc/70/37/69/673703769.db2.gz ADAAUBDXURQUIR-CYBMUJFWSA-N 1 0 364.490 2.413 20 30 FEEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000599897551 673726889 /nfs/dbraw/zinc/72/68/89/673726889.db2.gz ZVISAJGAXPFSEE-HZSPNIEDSA-N 1 0 360.483 2.276 20 30 FEEDRO N#Cc1ccc(CNC(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1F ZINC000599919497 673727898 /nfs/dbraw/zinc/72/78/98/673727898.db2.gz HMWAYPQFNYEQHQ-OLZOCXBDSA-N 1 0 358.339 2.366 20 30 FEEDRO Cc1c2cc(C#N)ccc2sc1C(=O)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000599939042 673729106 /nfs/dbraw/zinc/72/91/06/673729106.db2.gz GBZMWRQCQBHSBH-GJZGRUSLSA-N 1 0 355.463 2.363 20 30 FEEDRO N#CC1(C[C@H](O)C[NH2+]C[C@H](c2ccccc2Cl)N2CCOCC2)CC1 ZINC000600718210 673794210 /nfs/dbraw/zinc/79/42/10/673794210.db2.gz OJXWEMQXOYXCRR-MAUKXSAKSA-N 1 0 363.889 2.358 20 30 FEEDRO CCC[C@@H]([NH2+]C[C@@H](O)CC1(C#N)CC1)C(=O)N1CCc2sccc2C1 ZINC000600723430 673794698 /nfs/dbraw/zinc/79/46/98/673794698.db2.gz OEENXLLCESNNEC-JKSUJKDBSA-N 1 0 361.511 2.446 20 30 FEEDRO N#CC1(C[C@@H](O)C[NH2+][C@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)CC1 ZINC000600732575 673795244 /nfs/dbraw/zinc/79/52/44/673795244.db2.gz SILCODDYMZSZEH-DOMZBBRYSA-N 1 0 351.809 2.229 20 30 FEEDRO N#CC1(C(=O)N2CCN(CCCOCC(F)(F)F)CC2)CC2(CC2)C1 ZINC000601015402 673819470 /nfs/dbraw/zinc/81/94/70/673819470.db2.gz KGLKVAHJFOLWQE-UHFFFAOYSA-N 1 0 359.392 2.184 20 30 FEEDRO N#Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NS(=O)(=O)C2CC2)c(F)c1 ZINC000601157772 673829592 /nfs/dbraw/zinc/82/95/92/673829592.db2.gz FAWAOTDHFNZAPM-IAGOWNOFSA-N 1 0 351.447 2.180 20 30 FEEDRO Cc1cc(F)cc(C#N)c1S(=O)(=O)N(C)C1CC[NH+](C(C)C)CC1 ZINC000601298121 673839419 /nfs/dbraw/zinc/83/94/19/673839419.db2.gz GVDLYZMDJWHRQE-UHFFFAOYSA-N 1 0 353.463 2.499 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)S(=O)(=O)C[C@@H]1CCC1(F)F ZINC000601308902 673840967 /nfs/dbraw/zinc/84/09/67/673840967.db2.gz ZVLWFSDKIKFQJW-INIZCTEOSA-N 1 0 371.453 2.297 20 30 FEEDRO Cc1cc(F)cc(C#N)c1S(=O)(=O)N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000601414919 673858363 /nfs/dbraw/zinc/85/83/63/673858363.db2.gz MFAQSRJUQONQFC-CJNGLKHVSA-N 1 0 351.447 2.253 20 30 FEEDRO N#Cc1ccc(OC2CCC([NH2+][C@@H]3CCCS(=O)(=O)CC3)CC2)nc1 ZINC000602015825 673900901 /nfs/dbraw/zinc/90/09/01/673900901.db2.gz RJJYYKYBNOBXHD-KLAILNCOSA-N 1 0 363.483 2.200 20 30 FEEDRO CO[C@@H]1C[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)[C@](C)(CO)C1 ZINC000602964737 673914702 /nfs/dbraw/zinc/91/47/02/673914702.db2.gz SXUOAMDDXYDTOK-YOEHRIQHSA-N 1 0 351.834 2.012 20 30 FEEDRO N#Cc1cc(N2CCC[N@H+](C[C@@H]3CCCO3)CC2)ncc1Br ZINC000603270117 673920576 /nfs/dbraw/zinc/92/05/76/673920576.db2.gz CNDFMKUJCRCWOR-AWEZNQCLSA-N 1 0 365.275 2.407 20 30 FEEDRO CC(C)[NH+](CCCNc1ccc(C#N)cc1CS(N)(=O)=O)C(C)C ZINC000603302637 673923676 /nfs/dbraw/zinc/92/36/76/673923676.db2.gz MKRRXEQINDPTDZ-UHFFFAOYSA-N 1 0 352.504 2.268 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+]C[C@@H](CCO)c2ccccc2)cc1 ZINC000566235505 675197107 /nfs/dbraw/zinc/19/71/07/675197107.db2.gz YAWNFDIRZMABNW-GOSISDBHSA-N 1 0 358.463 2.088 20 30 FEEDRO C#CC[N@@H+](C)CCCNC(=O)[C@H](C)Oc1ccc(Br)cc1 ZINC000818615213 675228935 /nfs/dbraw/zinc/22/89/35/675228935.db2.gz CYMVSDJHGDZVRQ-ZDUSSCGKSA-N 1 0 353.260 2.288 20 30 FEEDRO C=CCOc1ccccc1C[NH2+]C[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000819049430 675255427 /nfs/dbraw/zinc/25/54/27/675255427.db2.gz JNWGLTDLLYABEO-GOSISDBHSA-N 1 0 361.463 2.478 20 30 FEEDRO C#CCSCC[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000819092846 675259850 /nfs/dbraw/zinc/25/98/50/675259850.db2.gz GCQAPCYCUQUWNC-ZDUSSCGKSA-N 1 0 362.264 2.284 20 30 FEEDRO C#CCNC(=O)CC[NH2+]CCCc1ccc(Br)cc1OC ZINC000819224852 675271272 /nfs/dbraw/zinc/27/12/72/675271272.db2.gz OUXODRSNUSRYCI-UHFFFAOYSA-N 1 0 353.260 2.119 20 30 FEEDRO C#C[C@@H](NC(=O)NC[C@H]1CCC[N@H+]1CCCO)c1ccc(Cl)cc1F ZINC000820751201 675385235 /nfs/dbraw/zinc/38/52/35/675385235.db2.gz UVKGQNNGCAOWMO-RHSMWYFYSA-N 1 0 367.852 2.299 20 30 FEEDRO C[NH+]1CCN(C[C@@H](NC(=O)C#Cc2cccs2)c2ccccc2)CC1 ZINC000825664446 675662681 /nfs/dbraw/zinc/66/26/81/675662681.db2.gz FXWMIDGNCBIDOK-LJQANCHMSA-N 1 0 353.491 2.205 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])ncc2Br)CC1 ZINC000825756198 675667566 /nfs/dbraw/zinc/66/75/66/675667566.db2.gz LPTYUCFDFLNGOF-UHFFFAOYSA-N 1 0 369.219 2.133 20 30 FEEDRO N#Cc1ccc(NC[C@H]2CC[N@@H+]2C2CCCCC2)c(CS(N)(=O)=O)c1 ZINC000603413234 675798430 /nfs/dbraw/zinc/79/84/30/675798430.db2.gz NXNUYDLBJBSKNT-QGZVFWFLSA-N 1 0 362.499 2.166 20 30 FEEDRO N#Cc1ccc(F)c(CS(=O)(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)c1 ZINC000618068349 676318500 /nfs/dbraw/zinc/31/85/00/676318500.db2.gz VGBQFGHZXFPHGB-MRXNPFEDSA-N 1 0 351.447 2.134 20 30 FEEDRO Cc1nn(C)c(N2CCOCC2)c1C[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000619748551 676393143 /nfs/dbraw/zinc/39/31/43/676393143.db2.gz NWPAHJFIAXZLOL-UHFFFAOYSA-N 1 0 359.861 2.380 20 30 FEEDRO C=C(C)[C@H](CO)[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000677479032 679682263 /nfs/dbraw/zinc/68/22/63/679682263.db2.gz IDZMNRZHMZVZHL-OCCSQVGLSA-N 1 0 368.275 2.432 20 30 FEEDRO C=CCC[C@H](O)Cn1cc([C@H]([NH3+])c2ccc(Br)cc2)nn1 ZINC000641212636 677196966 /nfs/dbraw/zinc/19/69/66/677196966.db2.gz NJCVCSXHRNZNPW-DZGCQCFKSA-N 1 0 351.248 2.416 20 30 FEEDRO C=CCN1CC[C@@H]([NH+]2CCC([C@@H](O)c3cc(F)ccc3F)CC2)C1=O ZINC000839152493 680741898 /nfs/dbraw/zinc/74/18/98/680741898.db2.gz OYHATJSWGAFYBP-QZTJIDSGSA-N 1 0 350.409 2.497 20 30 FEEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1cc(S(N)(=O)=O)ccc1C ZINC000661115835 678437108 /nfs/dbraw/zinc/43/71/08/678437108.db2.gz UJPSXZMPTPVFOH-HOCLYGCPSA-N 1 0 365.499 2.305 20 30 FEEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)N(CC(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000661118412 678437198 /nfs/dbraw/zinc/43/71/98/678437198.db2.gz DQZDLYCRJXDXIF-KURKYZTESA-N 1 0 370.559 2.383 20 30 FEEDRO Clc1ccc(CNN=C2CC[NH+](CCN3CCOCC3)CC2)cc1 ZINC000764718568 680819381 /nfs/dbraw/zinc/81/93/81/680819381.db2.gz NOFWJGATPGFPPV-UHFFFAOYSA-N 1 0 350.894 2.214 20 30 FEEDRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)Nc1cccc(C#Cc2cccs2)c1 ZINC000667350594 679094770 /nfs/dbraw/zinc/09/47/70/679094770.db2.gz XQIKWSPPWRKDIA-QGZVFWFLSA-N 1 0 355.463 2.186 20 30 FEEDRO C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N(C)CC1=CCSC1 ZINC000669030079 679215866 /nfs/dbraw/zinc/21/58/66/679215866.db2.gz BKXGNHKJYQTTSZ-CVEARBPZSA-N 1 0 361.515 2.109 20 30 FEEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]CC(=O)N2CCN(C)CC2)cc1 ZINC000765415873 680841523 /nfs/dbraw/zinc/84/15/23/680841523.db2.gz DOZABPXONRHQKO-OAHLLOKOSA-N 1 0 351.878 2.243 20 30 FEEDRO C#CCC[NH+]1CCC(NS(=O)(=O)c2ccc(Cl)cc2OC)CC1 ZINC000840951903 680856619 /nfs/dbraw/zinc/85/66/19/680856619.db2.gz MFTCTHVHUJQEAH-UHFFFAOYSA-N 1 0 356.875 2.115 20 30 FEEDRO C#CCC[NH+]1CCC(NS(=O)(=O)c2ccc(OCC(C)C)cc2)CC1 ZINC000840951772 680856276 /nfs/dbraw/zinc/85/62/76/680856276.db2.gz JWEINOZTFCQYRC-UHFFFAOYSA-N 1 0 364.511 2.487 20 30 FEEDRO C#CCC[NH+]1CCC(NS(=O)(=O)c2ccc3c(c2)CC(C)(C)O3)CC1 ZINC000840952228 680856502 /nfs/dbraw/zinc/85/65/02/680856502.db2.gz WZORSUNQQMDPFG-UHFFFAOYSA-N 1 0 362.495 2.166 20 30 FEEDRO CCOc1ccc(Br)cc1NC(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000841104493 680863669 /nfs/dbraw/zinc/86/36/69/680863669.db2.gz SGDODLLOZRNBNN-SKDRFNHKSA-N 1 0 353.220 2.081 20 30 FEEDRO C=CCn1c(CC[NH+]2CCCCC2)nn(CN2CCCOCC2)c1=S ZINC000748073336 679927654 /nfs/dbraw/zinc/92/76/54/679927654.db2.gz ZHLMNWVZWYGZCF-UHFFFAOYSA-N 1 0 365.547 2.308 20 30 FEEDRO C[C@H]1C[C@H](C)C[NH+](CCCNS(=O)(=O)c2cccc(F)c2C#N)C1 ZINC000751008432 680147376 /nfs/dbraw/zinc/14/73/76/680147376.db2.gz MYJOPGIEWVTCES-KBPBESRZSA-N 1 0 353.463 2.344 20 30 FEEDRO Cc1cc(SCC(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)c(C)cc1Br ZINC000834512352 680236796 /nfs/dbraw/zinc/23/67/96/680236796.db2.gz VFPDCAUQHZALMT-DGCLKSJQSA-N 1 0 368.300 2.386 20 30 FEEDRO CCOc1ccc(-c2nc(C)c(C(=O)N[C@@H]3C[NH2+]C[C@@H]3C#N)s2)cc1 ZINC000834515893 680237183 /nfs/dbraw/zinc/23/71/83/680237183.db2.gz DCVKJMWPPIRDBX-DZGCQCFKSA-N 1 0 356.451 2.359 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@]2(C)C[N@@H+](C[C@H](C)OC)C[C@]2(C)C1 ZINC000982282282 680274504 /nfs/dbraw/zinc/27/45/04/680274504.db2.gz VJZVENWQQGIZOT-SQIBXOBRSA-N 1 0 350.503 2.173 20 30 FEEDRO C[NH+](C)C[C@@](C)(CN=Nc1ccc(S(N)(=O)=O)cc1)c1ccccc1 ZINC000834912237 680282032 /nfs/dbraw/zinc/28/20/32/680282032.db2.gz MVPHLMRSHHYXOD-GOSISDBHSA-N 1 0 360.483 2.251 20 30 FEEDRO C=C(Cl)C(C)(C)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C)C2 ZINC000995920826 680311908 /nfs/dbraw/zinc/31/19/08/680311908.db2.gz WZWKNCFYKGVIEC-QPSCCSFWSA-N 1 0 353.894 2.107 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]([NH2+]CCc2ccns2)C(C)(C)C1 ZINC000996409185 680331856 /nfs/dbraw/zinc/33/18/56/680331856.db2.gz UHBNSNOUYLXIEU-ULQDDVLXSA-N 1 0 363.527 2.493 20 30 FEEDRO C=C(Cl)C[NH2+]C1CCN(C(=O)[C@@H]2CCO[C@H]2c2ccnn2CC)CC1 ZINC000996692855 680338879 /nfs/dbraw/zinc/33/88/79/680338879.db2.gz ZJTCUKOUJDRZHT-NVXWUHKLSA-N 1 0 366.893 2.314 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)NC1CCC([NH2+]Cc2snnc2C)CC1 ZINC001026495952 680344676 /nfs/dbraw/zinc/34/46/76/680344676.db2.gz BFLXKEYMSGMBCN-FJBKBRRZSA-N 1 0 364.515 2.345 20 30 FEEDRO C=C(Br)C[NH2+]C1CCN(C(=O)[C@H]2CCO[C@H]2C(=C)C)CC1 ZINC000997086162 680346907 /nfs/dbraw/zinc/34/69/07/680346907.db2.gz WSMYQTLVRMAJOE-GJZGRUSLSA-N 1 0 357.292 2.457 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)NC1CCC([NH2+]Cc2nn(C)cc2Cl)CC1 ZINC001026563883 680347186 /nfs/dbraw/zinc/34/71/86/680347186.db2.gz LYDQTINNUIMFDA-GROLMSMHSA-N 1 0 366.893 2.182 20 30 FEEDRO N#Cc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)C2)s1 ZINC001026962385 680353315 /nfs/dbraw/zinc/35/33/15/680353315.db2.gz JJZORWQKAQLTQD-DFEHZGFQSA-N 1 0 359.495 2.373 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](Cc2cc(F)cc(F)c2)C1 ZINC001028808790 680383058 /nfs/dbraw/zinc/38/30/58/680383058.db2.gz FJOWIFLAIFJGCP-VHSSKADRSA-N 1 0 350.409 2.494 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1CC([NH2+]CC(=C)Br)C1 ZINC000998788248 680389046 /nfs/dbraw/zinc/38/90/46/680389046.db2.gz QPDUNRBOLHMNBH-CVSAEHQPSA-N 1 0 357.292 2.455 20 30 FEEDRO C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CN(c3ccccn3)C[C@H]2C)C1 ZINC000999184939 680397184 /nfs/dbraw/zinc/39/71/84/680397184.db2.gz GSAPNURGWHIRPJ-HYVNUMGLSA-N 1 0 362.905 2.487 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)NCC1C[NH+](CCc2ccc(F)c(F)c2)C1 ZINC001031987641 680410409 /nfs/dbraw/zinc/41/04/09/680410409.db2.gz VDCZWEVTRRYGFR-QAPCUYQASA-N 1 0 350.409 2.146 20 30 FEEDRO C#CC[N@H+]1CCC[C@@H]1COC(=O)[C@H](c1ccccc1)N1CCSCC1 ZINC000755664974 680427317 /nfs/dbraw/zinc/42/73/17/680427317.db2.gz ZLEZEZJVLHNWAI-MOPGFXCFSA-N 1 0 358.507 2.417 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC2CCOCC2)CC1 ZINC001034754714 680440236 /nfs/dbraw/zinc/44/02/36/680440236.db2.gz OYHNIPAPYYHZIL-VJANTYMQSA-N 1 0 350.503 2.411 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC1CCOCC1 ZINC001035072349 680443045 /nfs/dbraw/zinc/44/30/45/680443045.db2.gz WCMDVWXRHLNYLW-QYZOEREBSA-N 1 0 350.503 2.365 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([N@H+](C)CC[C@@H]2CCCO2)CC1 ZINC000985436402 680447794 /nfs/dbraw/zinc/44/77/94/680447794.db2.gz ZAPWPLWHVOSKTL-OTWHNJEPSA-N 1 0 350.503 2.460 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC2(C[NH+](Cc3scnc3C)C2)CC1 ZINC001035801146 680452589 /nfs/dbraw/zinc/45/25/89/680452589.db2.gz VRUUBFQDGMULNJ-CVEARBPZSA-N 1 0 361.511 2.467 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC2(C[NH+]([C@@H](C)COC)C2)CC1 ZINC001035814891 680453098 /nfs/dbraw/zinc/45/30/98/680453098.db2.gz VVGMVYKAYZCUDV-BZSNNMDCSA-N 1 0 350.503 2.317 20 30 FEEDRO C=C(Br)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001039377233 680462981 /nfs/dbraw/zinc/46/29/81/680462981.db2.gz MTJRSJNTEFPGOZ-LVQVYYBASA-N 1 0 370.335 2.301 20 30 FEEDRO C#CC[N@@H+](C)CCCNC(=O)N[C@@H](CC(=O)OC)c1ccc(Cl)cc1 ZINC000836489060 680476135 /nfs/dbraw/zinc/47/61/35/680476135.db2.gz VCEVVLQPOIFAGX-INIZCTEOSA-N 1 0 365.861 2.199 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC2(C1)CC[NH+]([C@@H](C)COC)CC2 ZINC001040706527 680484160 /nfs/dbraw/zinc/48/41/60/680484160.db2.gz SNHFAKHKYSUCCF-KSZLIROESA-N 1 0 350.503 2.317 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)NC1CC[NH+](CCn2cc(Cl)cn2)CC1 ZINC001002849423 680510594 /nfs/dbraw/zinc/51/05/94/680510594.db2.gz SHQUWNQDWPYQTK-SJORKVTESA-N 1 0 366.893 2.098 20 30 FEEDRO Cc1nsc(N2C[C@@H](C)[C@H](NC(=O)[C@H]3CCC[N@H+]3C(C)C)C2)c1C#N ZINC001042210778 680523914 /nfs/dbraw/zinc/52/39/14/680523914.db2.gz CLLRZVQPPHOVLG-DAXOMENPSA-N 1 0 361.515 2.137 20 30 FEEDRO C[C@@H]1CN(c2nc(Cl)c(C#N)s2)C[C@H]1NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001042634567 680537142 /nfs/dbraw/zinc/53/71/42/680537142.db2.gz VOEJZOVGSBOSLU-IJLUTSLNSA-N 1 0 367.906 2.093 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1CC[NH+](C[C@@H]2CCCOC2)CC1 ZINC001003763645 680541272 /nfs/dbraw/zinc/54/12/72/680541272.db2.gz QEPBONQDAVSKPN-WDSOQIARSA-N 1 0 350.503 2.365 20 30 FEEDRO C[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1Nc1nc(C#N)c(Cl)s1 ZINC001043249954 680569187 /nfs/dbraw/zinc/56/91/87/680569187.db2.gz AINRKIOILPHBAO-NQBHXWOUSA-N 1 0 367.906 2.269 20 30 FEEDRO C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@H]1Nc1snc(Cl)c1C#N ZINC001043510683 680584826 /nfs/dbraw/zinc/58/48/26/680584826.db2.gz DICNMWMVIUIIEX-NQBHXWOUSA-N 1 0 367.906 2.411 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCCC[C@]2(CC[N@H+](CCO)C2)C1 ZINC001045972465 680642504 /nfs/dbraw/zinc/64/25/04/680642504.db2.gz BDNLNZKWDOLZBA-CMKODMSKSA-N 1 0 350.503 2.055 20 30 FEEDRO C=CCOc1ccc(Br)cc1NC(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000841259076 680871916 /nfs/dbraw/zinc/87/19/16/680871916.db2.gz MVBDQHYNTSLEAI-MFKMUULPSA-N 1 0 365.231 2.247 20 30 FEEDRO CCCCCCCCNC(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000841863582 680914990 /nfs/dbraw/zinc/91/49/90/680914990.db2.gz CNDIQUYLLYWXHA-KRWDZBQOSA-N 1 0 352.523 2.200 20 30 FEEDRO C[C@H](C[C@@H](O)c1ccccc1)[NH2+]CCS(=O)(=O)c1cccc(C#N)c1 ZINC000843090247 680987094 /nfs/dbraw/zinc/98/70/94/680987094.db2.gz VPBBKWQNGDYQDY-DNVCBOLYSA-N 1 0 358.463 2.434 20 30 FEEDRO CSCCNC(=S)NN=C1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000769604270 680988723 /nfs/dbraw/zinc/98/87/23/680988723.db2.gz HRHOFIRQPVMNBZ-CYBMUJFWSA-N 1 0 351.545 2.107 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC000843792755 681018601 /nfs/dbraw/zinc/01/86/01/681018601.db2.gz TVIWMBJRHKANBE-FZNQNYSPSA-N 1 0 351.491 2.446 20 30 FEEDRO C=CCN1CC[C@@H]([NH+]2CCC(CCNC(=O)OC(C)(C)C)CC2)C1=O ZINC000844444018 681059170 /nfs/dbraw/zinc/05/91/70/681059170.db2.gz UMEIXMWGGWZXKZ-MRXNPFEDSA-N 1 0 351.491 2.400 20 30 FEEDRO C[C@@H]1[C@@H](NC(=O)C[N@H+]2CCC[C@@H]2C)CCN1c1nc(Cl)c(C#N)s1 ZINC001051027197 681060704 /nfs/dbraw/zinc/06/07/04/681060704.db2.gz NUJPOJXTDUCCIH-TUAOUCFPSA-N 1 0 367.906 2.236 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@@H](C[NH2+]Cc2cc(C)sc2C)C1 ZINC001051834860 681069808 /nfs/dbraw/zinc/06/98/08/681069808.db2.gz YNJFHXFGNWJRRB-KSZLIROESA-N 1 0 364.511 2.273 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCO[C@H](C[NH2+]Cc2csc(C)c2)C1 ZINC001051867142 681070479 /nfs/dbraw/zinc/07/04/79/681070479.db2.gz BSWJWASNHTXRTL-SQNIBIBYSA-N 1 0 364.511 2.355 20 30 FEEDRO CC(C)C[NH2+]C1(CO)CCN(C(=O)c2c(F)cc(C#N)cc2F)CC1 ZINC000912590527 685401112 /nfs/dbraw/zinc/40/11/12/685401112.db2.gz ZLZDBPSBJUEQDZ-UHFFFAOYSA-N 1 0 351.397 2.049 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(Cl)cc2OC)CC1 ZINC000773377257 681139424 /nfs/dbraw/zinc/13/94/24/681139424.db2.gz UQPZEVZFLZVZCQ-UHFFFAOYSA-N 1 0 351.834 2.054 20 30 FEEDRO C[C@@H]1[C@H](C(=O)N[C@@H]2CCCN(c3nc(Cl)c(C#N)s3)C2)CC[N@@H+]1C ZINC001058257905 681169601 /nfs/dbraw/zinc/16/96/01/681169601.db2.gz IUQSZLJPQUFLEM-IJLUTSLNSA-N 1 0 367.906 2.093 20 30 FEEDRO Cc1nsc(NC[C@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c1C#N ZINC001060101126 681196043 /nfs/dbraw/zinc/19/60/43/681196043.db2.gz RCZMSOYVABBESA-RBSFLKMASA-N 1 0 361.515 2.314 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H]2C[N@H+](C[C@H](C)OC)C[C@H]2CC1 ZINC000946818050 681261979 /nfs/dbraw/zinc/26/19/79/681261979.db2.gz BXLQGTOFKQNGTD-OYSTVDSJSA-N 1 0 350.503 2.173 20 30 FEEDRO CNc1ncc(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)s1 ZINC000846661641 681273628 /nfs/dbraw/zinc/27/36/28/681273628.db2.gz DLTGOGIBOQAOII-UHFFFAOYSA-N 1 0 355.467 2.451 20 30 FEEDRO COC(=O)/C=C1\SCC(=O)N1CCC[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000775335792 681298854 /nfs/dbraw/zinc/29/88/54/681298854.db2.gz REFWTIAYGIJVDT-NWRYFCBHSA-N 1 0 359.451 2.189 20 30 FEEDRO CCC(CC)[C@H](CNC(=O)N[C@H](CC#N)C(F)(F)F)[NH+]1CCOCC1 ZINC000932926592 681329543 /nfs/dbraw/zinc/32/95/43/681329543.db2.gz KMPZHQMTEDDPTG-UONOGXRCSA-N 1 0 364.412 2.267 20 30 FEEDRO C[C@H](CC[NH+](C)C)NC(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000847491870 681386327 /nfs/dbraw/zinc/38/63/27/681386327.db2.gz YBHGWNPSQUOQBC-OAHLLOKOSA-N 1 0 351.491 2.093 20 30 FEEDRO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@@](C)(CO)Cc1ccc(Cl)cc1 ZINC000933447884 681414621 /nfs/dbraw/zinc/41/46/21/681414621.db2.gz HHRPTKOYPAVZNN-KBXCAEBGSA-N 1 0 351.878 2.231 20 30 FEEDRO C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@H](C)[C@H]1CCCN(C(=O)OCC)C1 ZINC000776755325 681433674 /nfs/dbraw/zinc/43/36/74/681433674.db2.gz NZBXCMNUDOTDEG-IKGGRYGDSA-N 1 0 351.491 2.422 20 30 FEEDRO CO[C@@H]1CCOC[C@H]1[NH2+]CC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000934037754 681499393 /nfs/dbraw/zinc/49/93/93/681499393.db2.gz PUTFIXIUIPZWBQ-FVQBIDKESA-N 1 0 363.483 2.270 20 30 FEEDRO CN(CCC#N)C(=O)CC[NH2+][C@](C)(CO)c1cccc(Br)c1 ZINC000934495104 681578743 /nfs/dbraw/zinc/57/87/43/681578743.db2.gz CECFMMQRWIWEMI-MRXNPFEDSA-N 1 0 368.275 2.008 20 30 FEEDRO C=C(Cl)C[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)CC1 ZINC000948638471 681591175 /nfs/dbraw/zinc/59/11/75/681591175.db2.gz AZWOZKFJDUURHR-VVLHAWIVSA-N 1 0 356.894 2.103 20 30 FEEDRO Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C(=O)NCC#CC[NH+](C)C ZINC000913515749 685479216 /nfs/dbraw/zinc/47/92/16/685479216.db2.gz LMPYDLSAOMJHJU-UHFFFAOYSA-N 1 0 358.873 2.496 20 30 FEEDRO COc1cccc([C@@H](CNS(=O)(=O)CC(C)(C)C#N)[NH+]2CCCC2)c1 ZINC000913853947 685486706 /nfs/dbraw/zinc/48/67/06/685486706.db2.gz RVXAHAIYHQYZGO-QGZVFWFLSA-N 1 0 365.499 2.301 20 30 FEEDRO C=C(Cl)C[NH+]1CCC2(CCN(C(=O)[C@H]3C[C@H]3C(=O)N(C)C)CC2)CC1 ZINC000957605988 681909961 /nfs/dbraw/zinc/90/99/61/681909961.db2.gz TVDWGBCIRHCTKL-CVEARBPZSA-N 1 0 367.921 2.168 20 30 FEEDRO N#Cc1cc(CS(=O)(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)cs1 ZINC000914078778 685493729 /nfs/dbraw/zinc/49/37/29/685493729.db2.gz STPDKWBULRJCMS-OAHLLOKOSA-N 1 0 353.513 2.400 20 30 FEEDRO Cc1cc(C#N)cc(C)c1CS(=O)(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000914267248 685501624 /nfs/dbraw/zinc/50/16/24/685501624.db2.gz HCDMMBQCSPRMCR-IEBWSBKVSA-N 1 0 361.511 2.421 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)Cc2ccc(Br)cc2O)CC1 ZINC000781941129 681990898 /nfs/dbraw/zinc/99/08/98/681990898.db2.gz NMQQIROOQVEQKE-UHFFFAOYSA-N 1 0 365.271 2.301 20 30 FEEDRO C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCC(C)(NC(=O)OC(C)(C)C)CC1 ZINC000781977695 681993979 /nfs/dbraw/zinc/99/39/79/681993979.db2.gz VTHXWCYYRGMMON-AWEZNQCLSA-N 1 0 352.479 2.126 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@H]1C[N@@H+](C)CC1CCOCC1 ZINC000960929669 682072396 /nfs/dbraw/zinc/07/23/96/682072396.db2.gz XRQFDDCAJFXNCS-QYZOEREBSA-N 1 0 350.503 2.317 20 30 FEEDRO C=C(Br)CNC(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1 ZINC000851656843 682102026 /nfs/dbraw/zinc/10/20/26/682102026.db2.gz RLIUTSKAOCTVBO-KBPBESRZSA-N 1 0 356.239 2.479 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1CCC([NH2+]Cc2nncs2)CC1 ZINC000964021740 682155678 /nfs/dbraw/zinc/15/56/78/682155678.db2.gz FSCDYYCKYXRHNA-NDTCATRNSA-N 1 0 364.515 2.379 20 30 FEEDRO N#Cc1cc(CS(=O)(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)cs1 ZINC000917395045 685531772 /nfs/dbraw/zinc/53/17/72/685531772.db2.gz GVEFCTIRUMROAJ-AWEZNQCLSA-N 1 0 353.513 2.446 20 30 FEEDRO CCOP(=O)(OCC)[C@@H](O)C[N@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000852210697 682239976 /nfs/dbraw/zinc/23/99/76/682239976.db2.gz JVTWVGUAWTXSMH-JKSUJKDBSA-N 1 0 356.359 2.108 20 30 FEEDRO C=C(Br)CN1CC([C@@H](C)NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC000969687473 682271888 /nfs/dbraw/zinc/27/18/88/682271888.db2.gz CDHKXOUEKHYVFH-VHDGCEQUSA-N 1 0 358.324 2.062 20 30 FEEDRO C[C@H](CNC(=O)C#CC1CC[NH2+]CC1)Oc1ccccc1Br ZINC000852847205 682349860 /nfs/dbraw/zinc/34/98/60/682349860.db2.gz KLRMRZUAROWOCK-CYBMUJFWSA-N 1 0 365.271 2.336 20 30 FEEDRO CN1CCN(c2ccc(NC(=O)C#CC3CC[NH2+]CC3)cc2Cl)CC1 ZINC000852872357 682352190 /nfs/dbraw/zinc/35/21/90/682352190.db2.gz FCQHICCNDKINEJ-UHFFFAOYSA-N 1 0 360.889 2.033 20 30 FEEDRO C#C[C@@H]([NH2+]C[C@H](O)COc1ccc(Br)cc1)C1CCOCC1 ZINC000853116528 682378007 /nfs/dbraw/zinc/37/80/07/682378007.db2.gz WXVIADJEZPKYHZ-DOTOQJQBSA-N 1 0 368.271 2.207 20 30 FEEDRO C[NH+](C)[C@H]1CCCC(N=Nc2ccc(S(=O)(=O)N3CCCC3)cn2)C1 ZINC000788425259 682529108 /nfs/dbraw/zinc/52/91/08/682529108.db2.gz QJUAFOQGBWWWMH-HNNXBMFYSA-N 1 0 365.503 2.138 20 30 FEEDRO C[NH+](C)[C@H]1CCCC(N=Nc2ccc(S(=O)(=O)NC(C)(C)C)cn2)C1 ZINC000788424858 682529135 /nfs/dbraw/zinc/52/91/35/682529135.db2.gz MNAQBYCCKSQCLD-AWEZNQCLSA-N 1 0 367.519 2.431 20 30 FEEDRO C[NH+](C)CCCNC(=S)NN=C(C[C@H]1CCOC1)c1ccc(F)cc1 ZINC000793014097 682857332 /nfs/dbraw/zinc/85/73/32/682857332.db2.gz WXQGCKDUUKLFPP-CQSZACIVSA-N 1 0 366.506 2.372 20 30 FEEDRO C=CCOc1c(Cl)cc(C[NH2+]C[C@H](O)c2cnn(C)c2)cc1OC ZINC000858145842 682938236 /nfs/dbraw/zinc/93/82/36/682938236.db2.gz HGYWQXPFEKTVEE-HNNXBMFYSA-N 1 0 351.834 2.470 20 30 FEEDRO C#CC[C@@H](CCOC)NC(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000859024866 683028336 /nfs/dbraw/zinc/02/83/36/683028336.db2.gz KGVVVSGQUUPKOE-KRWDZBQOSA-N 1 0 367.559 2.466 20 30 FEEDRO C[C@@H]1C[NH2+]C[C@H]1CNC(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 ZINC000926089647 683074943 /nfs/dbraw/zinc/07/49/43/683074943.db2.gz XIAOEPVAAFOBCT-YPMHNXCESA-N 1 0 358.833 2.374 20 30 FEEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CC[C@H](CC[NH3+])C1 ZINC000926287786 683104552 /nfs/dbraw/zinc/10/45/52/683104552.db2.gz OSPJYCCKTOLDDN-LBPRGKRZSA-N 1 0 355.891 2.113 20 30 FEEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]C[C@@H](N2CCOCC2)C(F)(F)F)cc1 ZINC000796514430 683167410 /nfs/dbraw/zinc/16/74/10/683167410.db2.gz LDUQAKMMPWMBLW-XJKSGUPXSA-N 1 0 357.376 2.330 20 30 FEEDRO C[C@@H]1CN(c2cc[nH+]cc2)CCN1S(=O)(=O)Cc1csc(C#N)c1 ZINC000919967832 683310557 /nfs/dbraw/zinc/31/05/57/683310557.db2.gz LZDHUWLAARHFAF-CYBMUJFWSA-N 1 0 362.480 2.055 20 30 FEEDRO C[C@H]1CN(C(=O)C(=O)Nc2scc(C(C)(C)C)c2C#N)CC[C@@H]1C[NH3+] ZINC000927890152 683334947 /nfs/dbraw/zinc/33/49/47/683334947.db2.gz GAOKCCSKWCDEMM-NWDGAFQWSA-N 1 0 362.499 2.299 20 30 FEEDRO C=CCN1CC[C@H]([N@@H+]2CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)C1=O ZINC000799142453 683426773 /nfs/dbraw/zinc/42/67/73/683426773.db2.gz SXSQKZKHWIBGBM-PMPSAXMXSA-N 1 0 351.491 2.399 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)N1CCC[C@@H]1c1ncc(Br)cn1 ZINC000928355790 683439248 /nfs/dbraw/zinc/43/92/48/683439248.db2.gz FEKWUAZAZWPQHZ-CYBMUJFWSA-N 1 0 353.264 2.411 20 30 FEEDRO CC(C)(Cc1ccc(C#N)cc1)NS(=O)(=O)C[C@@]12CC[N@H+](C1)CCC2 ZINC000921447222 683471049 /nfs/dbraw/zinc/47/10/49/683471049.db2.gz BJBXEXMHLWAQSZ-IBGZPJMESA-N 1 0 361.511 2.285 20 30 FEEDRO Cc1cccc(S(=O)(=O)N[C@@H](CC[NH+](C)C)c2cccnc2)c1C#N ZINC000921480205 683481248 /nfs/dbraw/zinc/48/12/48/683481248.db2.gz BHZYZPVOMHJJLE-KRWDZBQOSA-N 1 0 358.467 2.233 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)c2cnc3ncc(Br)cc3c2)CC1 ZINC000928652539 683481369 /nfs/dbraw/zinc/48/13/69/683481369.db2.gz BPPKHDPACWFPRE-UHFFFAOYSA-N 1 0 373.254 2.220 20 30 FEEDRO C[NH+](C)CC[C@H](NS(=O)(=O)CC1(C#N)CCCCC1)c1cccnc1 ZINC000921480989 683481600 /nfs/dbraw/zinc/48/16/00/683481600.db2.gz YTHHFEMLIBFAQQ-KRWDZBQOSA-N 1 0 364.515 2.468 20 30 FEEDRO C[NH+](C)CC[C@@H](NS(=O)(=O)c1cccc(F)c1C#N)c1cccnc1 ZINC000921481260 683481711 /nfs/dbraw/zinc/48/17/11/683481711.db2.gz FJYUIAWFQODFLD-MRXNPFEDSA-N 1 0 362.430 2.064 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)CN[C@H](c2ccccc2)C(F)(F)F)CC1 ZINC000928654941 683482106 /nfs/dbraw/zinc/48/21/06/683482106.db2.gz IINIPRVHYSGLCM-QGZVFWFLSA-N 1 0 353.388 2.093 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)[C@H](C)Oc2ccc(Br)cc2)CC1 ZINC000928653449 683482277 /nfs/dbraw/zinc/48/22/77/683482277.db2.gz MPTOFHCFYJHSCT-ZDUSSCGKSA-N 1 0 365.271 2.430 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000928657633 683483105 /nfs/dbraw/zinc/48/31/05/683483105.db2.gz QPJOQVMADSKUIT-LBPRGKRZSA-N 1 0 365.817 2.229 20 30 FEEDRO N#Cc1cc(C[NH2+]C[C@@H](O)COc2ccc3c(c2)CCC(=O)N3)cs1 ZINC000921595126 683514442 /nfs/dbraw/zinc/51/44/42/683514442.db2.gz ZFSXTXDLOWUANW-CQSZACIVSA-N 1 0 357.435 2.034 20 30 FEEDRO N#Cc1cc(C[NH2+]C[C@H](O)COc2ccc3c(c2)CCC(=O)N3)cs1 ZINC000921595123 683514503 /nfs/dbraw/zinc/51/45/03/683514503.db2.gz ZFSXTXDLOWUANW-AWEZNQCLSA-N 1 0 357.435 2.034 20 30 FEEDRO C[C@@H](C[NH2+]Cc1cc(C#N)ccc1Br)CN1CCOCC1 ZINC000921763938 683568106 /nfs/dbraw/zinc/56/81/06/683568106.db2.gz DCSURAZEUJXSTF-ZDUSSCGKSA-N 1 0 352.276 2.379 20 30 FEEDRO CC(=O)Nc1ccc(NC(=O)NCC#CC[NH+](C)C)c(C(F)(F)F)c1 ZINC000929480062 683602585 /nfs/dbraw/zinc/60/25/85/683602585.db2.gz MSDRGBBXGDLOHV-UHFFFAOYSA-N 1 0 356.348 2.350 20 30 FEEDRO N#Cc1cc(C[NH2+]CCNS(=O)(=O)c2ccc(Cl)s2)cs1 ZINC000921922350 683615402 /nfs/dbraw/zinc/61/54/02/683615402.db2.gz BNEYSPMAZUXGPC-UHFFFAOYSA-N 1 0 361.901 2.403 20 30 FEEDRO C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)C1=Cc2ccccc2OCC1 ZINC000922021637 683638399 /nfs/dbraw/zinc/63/83/99/683638399.db2.gz ANSXZGUGXKPEJZ-UHFFFAOYSA-N 1 0 360.479 2.169 20 30 FEEDRO C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(F)c(C(F)F)c1 ZINC000922024123 683639883 /nfs/dbraw/zinc/63/98/83/683639883.db2.gz GXOBKXRBWNSFTR-UHFFFAOYSA-N 1 0 360.401 2.481 20 30 FEEDRO C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000922027217 683640742 /nfs/dbraw/zinc/64/07/42/683640742.db2.gz UFDLHYDVUPOJDM-UHFFFAOYSA-N 1 0 360.401 2.424 20 30 FEEDRO C=CC1(CC(=O)N2CC[NH+](C(C)C)CC2)CN(C(=O)OC(C)(C)C)C1 ZINC000929992558 683666297 /nfs/dbraw/zinc/66/62/97/683666297.db2.gz UYNQTZVWCSZYTE-UHFFFAOYSA-N 1 0 351.491 2.352 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)Nc2cnc(Br)cc2C)CC1 ZINC000930321802 683710805 /nfs/dbraw/zinc/71/08/05/683710805.db2.gz XTNDKBKZDPTGJM-UHFFFAOYSA-N 1 0 351.248 2.372 20 30 FEEDRO CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)NCC(C)(C)CCC#N)C2 ZINC000922486174 683733374 /nfs/dbraw/zinc/73/33/74/683733374.db2.gz PWTDKOGPVGDUNM-YKTARERQSA-N 1 0 350.507 2.095 20 30 FEEDRO C=CCc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)S3(=O)=O)cc(OC)c1O ZINC000922851354 683792784 /nfs/dbraw/zinc/79/27/84/683792784.db2.gz ULCJSQJTSLRWJW-MQVJKMGUSA-N 1 0 351.468 2.327 20 30 FEEDRO C#CCC1([NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)CCC1 ZINC000922998539 683816938 /nfs/dbraw/zinc/81/69/38/683816938.db2.gz WWTJVILUEQYGNJ-UHFFFAOYSA-N 1 0 357.273 2.132 20 30 FEEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1 ZINC000931062490 683825045 /nfs/dbraw/zinc/82/50/45/683825045.db2.gz JOCOTYKIWKNCGF-XHSDSOJGSA-N 1 0 356.532 2.171 20 30 FEEDRO CS(=O)(=O)[C@H]1CCCC[C@@H]1[NH2+]C1CCN(c2ccccc2C#N)CC1 ZINC000866449313 684106123 /nfs/dbraw/zinc/10/61/23/684106123.db2.gz UGNDAUJSGJEJFK-HKUYNNGSSA-N 1 0 361.511 2.472 20 30 FEEDRO CC1(C)CC[NH2+]CCN1S(=O)(=O)c1cccc(Br)c1C#N ZINC000866803452 684156471 /nfs/dbraw/zinc/15/64/71/684156471.db2.gz VUFHSWZUSAXKTG-UHFFFAOYSA-N 1 0 372.288 2.083 20 30 FEEDRO C[NH2+]C[C@@](C)(O)CN1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000923530519 684300032 /nfs/dbraw/zinc/30/00/32/684300032.db2.gz FAGZSFIBWXJEIU-HRDYMLBCSA-N 1 0 370.284 2.060 20 30 FEEDRO C=CCCc1ccc(S(=O)(=O)N2CCC3(CO[C@@H](C[NH3+])C3)CC2)cc1 ZINC000923689328 684331666 /nfs/dbraw/zinc/33/16/66/684331666.db2.gz YHTKZMNAQDTSMB-QGZVFWFLSA-N 1 0 364.511 2.324 20 30 FEEDRO N#Cc1sc(NC(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@H]23)nc1Cl ZINC000931725152 684337712 /nfs/dbraw/zinc/33/77/12/684337712.db2.gz SQVCBAOTOFJCEI-RKDXNWHRSA-N 1 0 357.892 2.369 20 30 FEEDRO Cc1ncc(S(=O)(=O)NCCC2CC[NH+](C(C)C)CC2)cc1C#N ZINC000867651553 684343304 /nfs/dbraw/zinc/34/33/04/684343304.db2.gz AHXCUZAXLWQPFS-UHFFFAOYSA-N 1 0 350.488 2.051 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N[C@H]2C[C@@](C[NH3+])(c3ccccc3)C2)cc1F ZINC000923741985 684344411 /nfs/dbraw/zinc/34/44/11/684344411.db2.gz XKOHAETZAKTGTA-RHNCMZPLSA-N 1 0 359.426 2.035 20 30 FEEDRO C[NH+](C)CCOc1ccc(CCNC(=O)C2(C#N)CCSCC2)cc1 ZINC000931996079 684385356 /nfs/dbraw/zinc/38/53/56/684385356.db2.gz JGPQDQNYOMPBFQ-UHFFFAOYSA-N 1 0 361.511 2.323 20 30 FEEDRO N#Cc1cccc([C@@H](NC(=O)N[C@@H](CC[NH3+])C(F)F)C(F)(F)F)c1 ZINC000868210602 684464609 /nfs/dbraw/zinc/46/46/09/684464609.db2.gz PYDIUGZUOAGVBS-WDEREUQCSA-N 1 0 350.291 2.443 20 30 FEEDRO CSC1(CNC(=O)N[C@H]2Cc3ccc(C#N)cc3C2)CC[NH+](C)CC1 ZINC000868627773 684519992 /nfs/dbraw/zinc/51/99/92/684519992.db2.gz XTLHFSIILMIIDN-KRWDZBQOSA-N 1 0 358.511 2.152 20 30 FEEDRO COCCNS(=O)(=O)c1cccc(C[NH2+][C@@H](C)CC(C)(C)C#N)c1 ZINC000925093853 684524035 /nfs/dbraw/zinc/52/40/35/684524035.db2.gz STLQJXJNUYIHPR-AWEZNQCLSA-N 1 0 353.488 2.029 20 30 FEEDRO C[C@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1cccc(Br)n1 ZINC000925418177 684561399 /nfs/dbraw/zinc/56/13/99/684561399.db2.gz ZTZQYXIAZWQWLM-SJHSGFPMSA-N 1 0 365.231 2.021 20 30 FEEDRO C=CCn1c(Cc2nc(C)cs2)nnc1N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000871050136 684782434 /nfs/dbraw/zinc/78/24/34/684782434.db2.gz GSAAVZMQPARRHD-CABCVRRESA-N 1 0 358.515 2.350 20 30 FEEDRO Cc1ccc(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c(C#N)c1 ZINC000871806223 684858618 /nfs/dbraw/zinc/85/86/18/684858618.db2.gz ZCQBAONPNQLVFO-STQMWFEESA-N 1 0 361.389 2.015 20 30 FEEDRO N#Cc1ccc(OC[C@@H](O)C[NH2+]CCOC(F)(F)C(F)(F)F)cc1 ZINC000872244166 684931120 /nfs/dbraw/zinc/93/11/20/684931120.db2.gz DORDQVLALGTZPW-NSHDSACASA-N 1 0 354.275 2.059 20 30 FEEDRO CN(CCC#N)C[C@@H](O)C[NH2+]CC1(c2ccc(Br)cc2)CC1 ZINC000872247085 684931821 /nfs/dbraw/zinc/93/18/21/684931821.db2.gz LBYMLHQABDFPFQ-INIZCTEOSA-N 1 0 366.303 2.277 20 30 FEEDRO CC(C)NS(=O)(=O)c1ccc(N=NC2CCC(C)([NH+](C)C)CC2)nc1 ZINC000872341774 684938475 /nfs/dbraw/zinc/93/84/75/684938475.db2.gz BCZUINCWODLINE-UHFFFAOYSA-N 1 0 367.519 2.431 20 30 FEEDRO C#CC[C@@H](COC)NC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F ZINC000875923092 686104175 /nfs/dbraw/zinc/10/41/75/686104175.db2.gz WXXSWXYOWCOYNJ-INIZCTEOSA-N 1 0 353.413 2.076 20 30 FEEDRO N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)NC[C@@H](O)c1ccccc1Cl ZINC000876587078 686225051 /nfs/dbraw/zinc/22/50/51/686225051.db2.gz GJCBAAACBGAJBJ-QZTJIDSGSA-N 1 0 355.825 2.248 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NCC(=O)N1CCC(Cc2ccccc2)CC1 ZINC000876650616 686236684 /nfs/dbraw/zinc/23/66/84/686236684.db2.gz WCYYPIBETNHCLX-KRWDZBQOSA-N 1 0 363.889 2.054 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC(C(=O)Nc2ccc(C)cn2)CC1 ZINC000876727250 686254229 /nfs/dbraw/zinc/25/42/29/686254229.db2.gz GEGCGCCRLXBTPN-AWEZNQCLSA-N 1 0 350.850 2.037 20 30 FEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)NCc1cc(Cl)ccc1N1CCOCC1 ZINC000876891440 686288467 /nfs/dbraw/zinc/28/84/67/686288467.db2.gz YBMILINIGPXNPO-CQSZACIVSA-N 1 0 358.269 2.263 20 30 FEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC[C@@H](c2ncc(C(=O)OC)s2)C1 ZINC000876979725 686304320 /nfs/dbraw/zinc/30/43/20/686304320.db2.gz PTNVBIPJATYGME-GHMZBOCLSA-N 1 0 357.863 2.106 20 30 FEEDRO C=CCNC(=O)C[NH2+][C@@H]1CC[C@H]2[C@H](CCCN2C(=O)OC(C)(C)C)C1 ZINC000877141288 686331537 /nfs/dbraw/zinc/33/15/37/686331537.db2.gz GOOZGTVUOAORFS-OAGGEKHMSA-N 1 0 351.491 2.446 20 30 FEEDRO C[N@@H+](C[C@H](O)c1cccc(C#N)c1)C[C@H](O)c1cc(Br)no1 ZINC000878802082 686664020 /nfs/dbraw/zinc/66/40/20/686664020.db2.gz AQYDCXLASHBPJN-STQMWFEESA-N 1 0 366.215 2.008 20 30 FEEDRO C=CCNC(=O)NC(=O)[C@@H](C)N1CCC(CC)([NH+]2CCCCC2)CC1 ZINC000880256426 687023334 /nfs/dbraw/zinc/02/33/34/687023334.db2.gz HZPNRYVLOMMKEI-MRXNPFEDSA-N 1 0 350.507 2.117 20 30 FEEDRO CO[C@H]1COCC[C@H]1[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000880429605 687047107 /nfs/dbraw/zinc/04/71/07/687047107.db2.gz IAQRVGNUNLDQBC-CABCVRRESA-N 1 0 363.483 2.173 20 30 FEEDRO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCc3ncncc3C1)CCC2 ZINC000880596404 687065014 /nfs/dbraw/zinc/06/50/14/687065014.db2.gz NCLAECQXIISMAH-UHFFFAOYSA-N 1 0 353.451 2.285 20 30 FEEDRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)Nc1cc(C#N)c(F)cc1F ZINC000880716048 687077887 /nfs/dbraw/zinc/07/78/87/687077887.db2.gz NBOOIAHKSFTWIA-ZDUSSCGKSA-N 1 0 352.385 2.411 20 30 FEEDRO COCC[N@H+]1[C@H](C)CN(c2cc(C#N)c(Br)cn2)C[C@@H]1C ZINC000882516413 687383715 /nfs/dbraw/zinc/38/37/15/687383715.db2.gz YXDXNYVVFYWBKX-TXEJJXNPSA-N 1 0 353.264 2.261 20 30 FEEDRO COc1ccc(C[NH2+][C@H]2C[C@H](S(C)(=O)=O)C2)cc1OCCCC#N ZINC000883378894 687619118 /nfs/dbraw/zinc/61/91/18/687619118.db2.gz DJUAHVDGGHNURO-SHTZXODSSA-N 1 0 352.456 2.043 20 30 FEEDRO C=CCCc1ccc(S(=O)(=O)N2CCC(OCCC[NH3+])CC2)cc1 ZINC000883466511 687636939 /nfs/dbraw/zinc/63/69/39/687636939.db2.gz OSDPEKXCFSXCAD-UHFFFAOYSA-N 1 0 352.500 2.324 20 30 FEEDRO N#C[C@@H]1C[NH2+]CC12CC(C(=O)N1CCc3cccc(Br)c3C1)C2 ZINC000884142896 687799558 /nfs/dbraw/zinc/79/95/58/687799558.db2.gz OIHJBTYDMZLGKE-TXKKKEFDSA-N 1 0 374.282 2.473 20 30 FEEDRO N#C[C@@H]1C[NH2+]CC12CC(C(=O)N1CC[C@H](Oc3ccccc3Cl)C1)C2 ZINC000884323795 687848493 /nfs/dbraw/zinc/84/84/93/687848493.db2.gz YSIYSPASQKOGPW-QXGUJMOYSA-N 1 0 359.857 2.459 20 30 FEEDRO CSc1ccc(CNS(=O)(=O)CCC[NH+]2CCCC2)cc1C#N ZINC000885610561 688112373 /nfs/dbraw/zinc/11/23/73/688112373.db2.gz VNIAPMGFHQLMCL-UHFFFAOYSA-N 1 0 353.513 2.185 20 30 FEEDRO C#CCN1CCC[C@H]([NH2+]Cc2ccc(OC)c(O)c2Br)C1 ZINC000886211132 688214416 /nfs/dbraw/zinc/21/44/16/688214416.db2.gz JQLPLOGXEXHRJC-ZDUSSCGKSA-N 1 0 353.260 2.351 20 30 FEEDRO C#CCN(C(=O)c1sc(Br)nc1C)C1CC[NH+](C)CC1 ZINC000886575896 688278941 /nfs/dbraw/zinc/27/89/41/688278941.db2.gz OMHUKMHERSUARV-UHFFFAOYSA-N 1 0 356.289 2.384 20 30 FEEDRO CCC1([NH+]2CCC2)CCN(CCS(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000886710809 688294559 /nfs/dbraw/zinc/29/45/59/688294559.db2.gz GOSAUWWLKJFGLC-UHFFFAOYSA-N 1 0 361.511 2.282 20 30 FEEDRO C=CCC1(O)CC[NH+](C[C@]2(O)CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000886778535 688309464 /nfs/dbraw/zinc/30/94/64/688309464.db2.gz GCYGYRIDDWRMFF-LJQANCHMSA-N 1 0 354.491 2.151 20 30 FEEDRO CN(Cc1cc(C#N)cs1)C(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000887972427 688528193 /nfs/dbraw/zinc/52/81/93/688528193.db2.gz VLVZPEUAPXFDMH-UHFFFAOYSA-N 1 0 355.467 2.039 20 30 FEEDRO C[NH+](C)CCOc1ccc(CCC(=O)NCc2nc(C#N)cs2)cc1 ZINC000887975299 688529145 /nfs/dbraw/zinc/52/91/45/688529145.db2.gz SYNVGWBXZDBDOK-UHFFFAOYSA-N 1 0 358.467 2.204 20 30 FEEDRO CC[NH+]1CCN(c2ccc(C(=O)NCc3nc(C#N)cs3)cc2)CC1 ZINC000887982296 688530531 /nfs/dbraw/zinc/53/05/31/688530531.db2.gz ZYOXDPQCZGZDMJ-UHFFFAOYSA-N 1 0 355.467 2.087 20 30 FEEDRO N#Cc1sc(NC(=O)N2CCC[C@H]([NH+]3CCOCC3)CC2)nc1Cl ZINC000888424064 688609879 /nfs/dbraw/zinc/60/98/79/688609879.db2.gz JLWJKANBHDJQMQ-NSHDSACASA-N 1 0 369.878 2.387 20 30 FEEDRO C#C[C@@H](NC(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2)c1ccc(Cl)cc1 ZINC000892761208 689240206 /nfs/dbraw/zinc/24/02/06/689240206.db2.gz YAYWQMXGBSEZOT-DLBZAZTESA-N 1 0 361.873 2.472 20 30 FEEDRO COC(=O)c1cnc(CN(CC[NH+](C)C)Cc2ccc(C#N)cc2)s1 ZINC000894763214 689590911 /nfs/dbraw/zinc/59/09/11/689590911.db2.gz KLLKZGNMDDUKBV-UHFFFAOYSA-N 1 0 358.467 2.365 20 30 FEEDRO C#C[C@H]([NH2+]C1CCN(CC(=O)OC)CC1)c1ccc(Br)cc1 ZINC000894872187 689612338 /nfs/dbraw/zinc/61/23/38/689612338.db2.gz ZJXAKYYZRHYEJM-INIZCTEOSA-N 1 0 365.271 2.350 20 30 FEEDRO CN(Cc1cc(C#N)cs1)C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000896608983 689905819 /nfs/dbraw/zinc/90/58/19/689905819.db2.gz KRBQUIOIATXQEE-HUUCEWRRSA-N 1 0 350.513 2.341 20 30 FEEDRO C[NH+]1CCC(CNC(=S)N2CCO[C@@H](c3ccc(C#N)cc3)C2)CC1 ZINC000899635242 690394737 /nfs/dbraw/zinc/39/47/37/690394737.db2.gz HZJRBGFFPLPCLF-GOSISDBHSA-N 1 0 358.511 2.148 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)N1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000900268859 690493187 /nfs/dbraw/zinc/49/31/87/690493187.db2.gz TXXZKHHAXYYHOK-CQSZACIVSA-N 1 0 364.877 2.420 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)N1CSC[C@@H]1C(=O)Nc1ccccc1F ZINC000900534277 690529315 /nfs/dbraw/zinc/52/93/15/690529315.db2.gz LQXVDYIYSGUFGJ-OAHLLOKOSA-N 1 0 351.447 2.174 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)Nc1cc(Cl)ccc1OCCS(C)(=O)=O ZINC000900896593 690581423 /nfs/dbraw/zinc/58/14/23/690581423.db2.gz XZKXAZFFHSQKJS-UHFFFAOYSA-N 1 0 374.890 2.210 20 30 FEEDRO C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+][C@H]1CCc2ncc(Br)n2C1 ZINC000901730381 690685744 /nfs/dbraw/zinc/68/57/44/690685744.db2.gz WFYQOXWPCQMQSC-OLZOCXBDSA-N 1 0 369.307 2.363 20 30 FEEDRO C#CCN(Cn1c(=S)nc2nc(C)c(C)c(C)n21)C1CC[NH+](C)CC1 ZINC000902539653 690776646 /nfs/dbraw/zinc/77/66/46/690776646.db2.gz OFKIZVGYTRDXKE-UHFFFAOYSA-N 1 0 358.515 2.172 20 30 FEEDRO C=CCC[C@H]([NH2+]CCS(=O)(=O)C1CCOCC1)[C@]1(C)CCCCO1 ZINC000903007556 690830097 /nfs/dbraw/zinc/83/00/97/690830097.db2.gz BYZIYMWRFOOKGJ-ROUUACIJSA-N 1 0 359.532 2.464 20 30 FEEDRO C[C@@H]([NH3+])[C@@H]1CCCCN1S(=O)(=O)c1ccc(Br)c(C#N)c1 ZINC000903484374 690898372 /nfs/dbraw/zinc/89/83/72/690898372.db2.gz ZHJNPRUWIPANBP-YGRLFVJLSA-N 1 0 372.288 2.211 20 30 FEEDRO N#Cc1cc(S(=O)(=O)NCCCCCC[NH3+])ccc1Br ZINC000903505518 690903612 /nfs/dbraw/zinc/90/36/12/690903612.db2.gz DTACPLWWPSCMPV-UHFFFAOYSA-N 1 0 360.277 2.118 20 30 FEEDRO N#Cc1cc(S(=O)(=O)N2CCCCC[C@@H]([NH3+])C2)ccc1Br ZINC000903514666 690906461 /nfs/dbraw/zinc/90/64/61/690906461.db2.gz KTCARQZKFVFBKM-GFCCVEGCSA-N 1 0 372.288 2.213 20 30 FEEDRO C[C@@](O)(C[NH2+]C[C@H]1CCN(CC(F)(F)F)C1)C(F)(F)C(F)(F)F ZINC000905058871 691062768 /nfs/dbraw/zinc/06/27/68/691062768.db2.gz JQFUMHMOXMMIPU-RKDXNWHRSA-N 1 0 358.273 2.409 20 30 FEEDRO C[C@@](O)(C[NH2+]Cc1cnn(CC(F)(F)F)c1)C(F)(F)C(F)(F)F ZINC000905167883 691075831 /nfs/dbraw/zinc/07/58/31/691075831.db2.gz WLNLFEASUNMIOH-MRVPVSSYSA-N 1 0 355.229 2.484 20 30 FEEDRO Cn1nc(C(F)(F)F)cc1C[NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F ZINC000905570619 691143456 /nfs/dbraw/zinc/14/34/56/691143456.db2.gz ZMTOFZJVHPZRGS-MRVPVSSYSA-N 1 0 355.229 2.477 20 30 FEEDRO CC[NH2+]Cc1ccn(Cc2cn(Cc3cc(Cl)cc(C#N)c3)nn2)n1 ZINC000905840445 691180354 /nfs/dbraw/zinc/18/03/54/691180354.db2.gz WRHXJIFLUSEISO-UHFFFAOYSA-N 1 0 355.833 2.206 20 30 FEEDRO Cc1cc(OCC(=O)NC2(C#N)CC[NH+](C)CC2)ccc1Br ZINC000906601666 691290526 /nfs/dbraw/zinc/29/05/26/691290526.db2.gz UYPKREDIOIJQBE-UHFFFAOYSA-N 1 0 366.259 2.241 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)NC2CC[NH+](CC3CCCCC3)CC2)nc1 ZINC000906873294 691333547 /nfs/dbraw/zinc/33/35/47/691333547.db2.gz MOYMNIOMZPQVIX-UHFFFAOYSA-N 1 0 362.499 2.276 20 30 FEEDRO CN([C@@H]1CN2CCC1CC2)S(=O)(=O)c1c(C#N)sc2ccccc21 ZINC000907252246 691432840 /nfs/dbraw/zinc/43/28/40/691432840.db2.gz AOPORVSMDJYLCN-CQSZACIVSA-N 1 0 361.492 2.488 20 30 FEEDRO N#CC1(CS(=O)(=O)NC2CC[NH+](C3CCOCC3)CC2)CCCCC1 ZINC000907328725 691453884 /nfs/dbraw/zinc/45/38/84/691453884.db2.gz PMVXANVFBZPRCK-UHFFFAOYSA-N 1 0 369.531 2.023 20 30 FEEDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncnc3[nH]cc(C#N)c31)C2 ZINC001164806442 720069268 /nfs/dbraw/zinc/06/92/68/720069268.db2.gz CWKBRTPNZSWADL-OXJNMPFZSA-N 1 0 366.469 2.014 20 30 FEEDRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2nccc(C#N)c2F)CC1 ZINC001164829696 720317612 /nfs/dbraw/zinc/31/76/12/720317612.db2.gz NBIFGTIDDQFCOK-SJORKVTESA-N 1 0 371.460 2.004 20 30 FEEDRO CCc1nc(C#N)c(C#N)nc1N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164724808 720474068 /nfs/dbraw/zinc/47/40/68/720474068.db2.gz HVLJDZZRCGMRBC-RBUKOAKNSA-N 1 0 359.437 2.031 20 30 FEEDRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2ncc3c(c2C#N)CCCC3)C1 ZINC001164733225 720535039 /nfs/dbraw/zinc/53/50/39/720535039.db2.gz CGLGKPDNEFPAGS-OAHLLOKOSA-N 1 0 350.470 2.227 20 30 FEEDRO Cc1nc(C#N)cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)n1 ZINC001164839480 720642212 /nfs/dbraw/zinc/64/22/12/720642212.db2.gz NKJSQFSSYPLJNZ-BHIYHBOVSA-N 1 0 365.485 2.231 20 30 FEEDRO N#Cc1cnc(Cl)cc1N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164870886 721052688 /nfs/dbraw/zinc/05/26/88/721052688.db2.gz WZQQWQAZUBVRGX-IRXDYDNUSA-N 1 0 369.856 2.481 20 30 FEEDRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ncc(Cl)cc4C#N)C[C@H]3C2)cn1 ZINC001164766846 721175334 /nfs/dbraw/zinc/17/53/34/721175334.db2.gz JHOUGPAKOSHTJO-GDBMZVCRSA-N 1 0 356.861 2.298 20 30 FEEDRO Cc1nc(N2C[C@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)ccc1CC#N ZINC001164769274 721210183 /nfs/dbraw/zinc/21/01/83/721210183.db2.gz LWTLEDPGGRLTCL-RTBURBONSA-N 1 0 350.470 2.148 20 30 FEEDRO N#Cc1c(Cl)ncnc1N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164897116 721520175 /nfs/dbraw/zinc/52/01/75/721520175.db2.gz DSHHFENLLMTUJW-DZGCQCFKSA-N 1 0 373.819 2.483 20 30 FEEDRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc(CC#N)ccn2)[C@H]2CCCO[C@@H]12 ZINC001164805725 721568024 /nfs/dbraw/zinc/56/80/24/721568024.db2.gz OPKPBGJNHKHWAD-QKNQBKEWSA-N 1 0 363.465 2.411 20 30 FEEDRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2cc(Cl)ncc2C#N)CC1 ZINC001165009079 721731213 /nfs/dbraw/zinc/73/12/13/721731213.db2.gz SXUOEZZAAQGDII-UHFFFAOYSA-N 1 0 361.877 2.130 20 30 FEEDRO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2C(F)(F)c1ccc(C#N)c(Cl)n1 ZINC001164926623 721849925 /nfs/dbraw/zinc/84/99/25/721849925.db2.gz IEFUHMREEJIWGD-ZIAGYGMSSA-N 1 0 369.847 2.366 20 30 FEEDRO COc1ccc(CN2CC[C@H]2CNC(=O)Nc2ccn(CCC#N)n2)cc1 ZINC000528988774 829657722 /nfs/dbraw/zinc/65/77/22/829657722.db2.gz ZQDXOHJWXXTMTD-INIZCTEOSA-N 1 0 368.441 2.201 20 30 FEEDRO N#Cc1cccc(S(=O)(=O)NCCC[N@@H+]2CCc3ccccc3C2)c1 ZINC000026833013 539794025 /nfs/dbraw/zinc/79/40/25/539794025.db2.gz TVZVCKKAXOEXIO-UHFFFAOYSA-N 1 0 355.463 2.285 20 30 FEEDRO CC(C)N(C)C(=O)C1CC[NH+](CCC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000030273604 539876984 /nfs/dbraw/zinc/87/69/84/539876984.db2.gz FSMYUSQVABZNLV-UHFFFAOYSA-N 1 0 356.470 2.466 20 30 FEEDRO N#Cc1c(F)cccc1N1CCN(C(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000031106279 539898345 /nfs/dbraw/zinc/89/83/45/539898345.db2.gz ZBHQXAFZMKGWAK-UHFFFAOYSA-N 1 0 371.460 2.156 20 30 FEEDRO Cc1nc(C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)ccc1C#N ZINC000031238969 539902092 /nfs/dbraw/zinc/90/20/92/539902092.db2.gz MCAINZDRXBRUIF-UHFFFAOYSA-N 1 0 363.465 2.204 20 30 FEEDRO Cc1ncc(CO)c(/C=N/C[C@H](C)[NH+]2CCN(c3ccccc3)CC2)c1O ZINC000031643262 539914213 /nfs/dbraw/zinc/91/42/13/539914213.db2.gz MDSINNHGVGHODJ-SITPEIFSSA-N 1 0 368.481 2.218 20 30 FEEDRO Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000032664450 539946945 /nfs/dbraw/zinc/94/69/45/539946945.db2.gz UXVILBBZGKLKAY-CQSZACIVSA-N 1 0 368.485 2.141 20 30 FEEDRO Cc1sc(NC(=O)C[NH2+][C@H](C2CC2)[C@@]2(CO)CCCO2)c(C#N)c1C ZINC000550141617 674083369 /nfs/dbraw/zinc/08/33/69/674083369.db2.gz ZVPGUIHFCVUERJ-AEFFLSMTSA-N 1 0 363.483 2.085 20 30 FEEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)NCC[NH+](CC)CC ZINC000550328008 674090342 /nfs/dbraw/zinc/09/03/42/674090342.db2.gz SNMMYXAXGLWCHV-UHFFFAOYSA-N 1 0 357.907 2.374 20 30 FEEDRO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCC(C(=O)Nc2cc(C)on2)CC1 ZINC000042642138 540072212 /nfs/dbraw/zinc/07/22/12/540072212.db2.gz GZDDAUFOFGEYRS-HNNXBMFYSA-N 1 0 362.474 2.447 20 30 FEEDRO C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000046048521 540239033 /nfs/dbraw/zinc/23/90/33/540239033.db2.gz XKRJIGMSHUUJJE-LPHOPBHVSA-N 1 0 357.454 2.039 20 30 FEEDRO C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cn1 ZINC000047553061 540318099 /nfs/dbraw/zinc/31/80/99/540318099.db2.gz HQZZWKSOORFSLR-OAHLLOKOSA-N 1 0 365.437 2.111 20 30 FEEDRO CC(C)N(C)C(=O)C1CC[NH+](C[C@@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000047926882 540335048 /nfs/dbraw/zinc/33/50/48/540335048.db2.gz WFNDEVIOGYNCFZ-LJQANCHMSA-N 1 0 373.497 2.071 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N(C)CC(=O)Nc2c(C)cc(C)cc2C)CC1 ZINC000050024913 540397734 /nfs/dbraw/zinc/39/77/34/540397734.db2.gz JSDWVZWANLHOQL-UHFFFAOYSA-N 1 0 355.482 2.354 20 30 FEEDRO C[C@@H](CNC(=O)N1CCN(c2ccc(C#N)cn2)CC1)[N@@H+]1CCCC[C@@H]1C ZINC000050112096 540400352 /nfs/dbraw/zinc/40/03/52/540400352.db2.gz GXZNYTIURGSWGM-IRXDYDNUSA-N 1 0 370.501 2.048 20 30 FEEDRO CCOc1ccc(N(CCC#N)C(=O)CN2CC[NH+](CC3CC3)CC2)cc1 ZINC000052164453 540456675 /nfs/dbraw/zinc/45/66/75/540456675.db2.gz RTMXRFBEGCNRFE-UHFFFAOYSA-N 1 0 370.497 2.360 20 30 FEEDRO CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCC(C(=O)NCc2ccccc2)CC1 ZINC000051955390 540448561 /nfs/dbraw/zinc/44/85/61/540448561.db2.gz STSOKRPJUTYELK-KRWDZBQOSA-N 1 0 370.497 2.023 20 30 FEEDRO C=CCc1ccc(OC[C@@H](O)CN2CC[NH+](CC(C)C)CC2)c(OC)c1 ZINC000053420185 540533584 /nfs/dbraw/zinc/53/35/84/540533584.db2.gz NPIHCJCDGCDNGH-IBGZPJMESA-N 1 0 362.514 2.437 20 30 FEEDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNS(=O)(=O)N(C)CCC#N)cc1 ZINC000056060057 540697789 /nfs/dbraw/zinc/69/77/89/540697789.db2.gz GAXNFCNXJKTMNE-INIZCTEOSA-N 1 0 364.515 2.241 20 30 FEEDRO Cc1ccc(C#N)cc1NC(=O)C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000057677075 540807268 /nfs/dbraw/zinc/80/72/68/540807268.db2.gz ZLKRVZVRZIILBH-CQSZACIVSA-N 1 0 356.470 2.432 20 30 FEEDRO Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CCC[C@@H]3CC(C)(C)C)CC2)o1 ZINC000057863206 540820368 /nfs/dbraw/zinc/82/03/68/540820368.db2.gz HSMCSPOIPFWEPU-MRXNPFEDSA-N 1 0 373.501 2.404 20 30 FEEDRO CN1CC[N@H+](CCCNC(=O)N2CCC(C#N)CC2)[C@@H](c2ccccc2)C1 ZINC000060990289 541124127 /nfs/dbraw/zinc/12/41/27/541124127.db2.gz DOMALSJYAYXFFN-HXUWFJFHSA-N 1 0 369.513 2.310 20 30 FEEDRO CN(C)C(=O)c1cccc(C[N@@H+]2CCCN(c3ncccc3C#N)CC2)c1 ZINC000064634529 541214117 /nfs/dbraw/zinc/21/41/17/541214117.db2.gz BUKQINJTPLGEDH-UHFFFAOYSA-N 1 0 363.465 2.367 20 30 FEEDRO C#CCC[NH+]1CCN(c2nc(C)nc3sc(C(=O)OC)c(C)c32)CC1 ZINC000065945119 541274034 /nfs/dbraw/zinc/27/40/34/541274034.db2.gz NYWDEWBNKMFSBC-UHFFFAOYSA-N 1 0 358.467 2.240 20 30 FEEDRO C[NH+](C)CCN(Cc1cccc(F)c1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000065972387 541274994 /nfs/dbraw/zinc/27/49/94/541274994.db2.gz LZFLCUSXNYVDEP-UHFFFAOYSA-N 1 0 361.442 2.450 20 30 FEEDRO C[C@H](CNC(=O)c1ccc(-n2ncc(C#N)c2N)cc1)C[NH+]1CCCCC1 ZINC000066240942 541294775 /nfs/dbraw/zinc/29/47/75/541294775.db2.gz LTYRAXPNILBQHC-OAHLLOKOSA-N 1 0 366.469 2.178 20 30 FEEDRO C=C(C)COc1cccc(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC000067525491 541474900 /nfs/dbraw/zinc/47/49/00/541474900.db2.gz NHOWUDISIOVTLQ-ZWKOTPCHSA-N 1 0 357.454 2.323 20 30 FEEDRO CC[NH+](CC)[C@@H](CNC(=O)C(=O)Nc1ccc(C#N)cc1)c1ccco1 ZINC000067764450 541510320 /nfs/dbraw/zinc/51/03/20/541510320.db2.gz OBLGHNYMQRHCIS-INIZCTEOSA-N 1 0 354.410 2.289 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1ccc(CSc2nc[nH]n2)cc1 ZINC000068307576 541574650 /nfs/dbraw/zinc/57/46/50/541574650.db2.gz XUUOVXKXBFAEBQ-UHFFFAOYSA-N 1 0 372.498 2.405 20 30 FEEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NCC[N@@H+](C)C1CCCCC1 ZINC000068904194 541639268 /nfs/dbraw/zinc/63/92/68/541639268.db2.gz CPBYGSFZBFOPRB-UHFFFAOYSA-N 1 0 358.486 2.177 20 30 FEEDRO Cc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000069121354 541659451 /nfs/dbraw/zinc/65/94/51/541659451.db2.gz GGALSDIGMZIGMQ-HNNXBMFYSA-N 1 0 356.451 2.286 20 30 FEEDRO CN1CC[NH+](CCCCNC(=O)Nc2cc(C#N)cn2C(C)(C)C)CC1 ZINC000069216121 541668460 /nfs/dbraw/zinc/66/84/60/541668460.db2.gz HOACKBRODSCKRZ-UHFFFAOYSA-N 1 0 360.506 2.264 20 30 FEEDRO C[C@@H](CNC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1)[N@H+](C)C1CC1 ZINC000069440490 541687148 /nfs/dbraw/zinc/68/71/48/541687148.db2.gz RCKACKRYFWHKCI-GOEBONIOSA-N 1 0 373.476 2.448 20 30 FEEDRO N#CCc1ccc(OC[C@@H](O)CN2CCC[C@@H]2C[NH+]2CCCCC2)cc1 ZINC000069607947 541699333 /nfs/dbraw/zinc/69/93/33/541699333.db2.gz ILZRPEGMRDAYCE-UXHICEINSA-N 1 0 357.498 2.443 20 30 FEEDRO N#CCSCCC[NH+]1CCN(CC(=O)N2CCCc3ccccc32)CC1 ZINC000072517924 541825488 /nfs/dbraw/zinc/82/54/88/541825488.db2.gz LBSNUYLSXUGAMQ-UHFFFAOYSA-N 1 0 372.538 2.230 20 30 FEEDRO C[N@H+]1CC=C(CNC(=O)C(=O)Nc2scc(C(C)(C)C)c2C#N)CC1 ZINC000550972773 674118300 /nfs/dbraw/zinc/11/83/00/674118300.db2.gz ADQXGKOLSNHUOB-UHFFFAOYSA-N 1 0 360.483 2.234 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)c2cnn(-c3ccccc3)c2)CC1 ZINC000072804344 541869370 /nfs/dbraw/zinc/86/93/70/541869370.db2.gz RXFWWHQRDSUXLR-UHFFFAOYSA-N 1 0 352.438 2.212 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N(C)Cc2nc([C@@H](C)OCC(C)C)no2)CC1 ZINC000073221152 541931609 /nfs/dbraw/zinc/93/16/09/541931609.db2.gz BQFKDLKBVXSWDR-OAHLLOKOSA-N 1 0 362.474 2.107 20 30 FEEDRO CN(C)CC[NH+]1CCC(CNC(=O)CSc2ccc(C#N)cc2)CC1 ZINC000074138548 542042737 /nfs/dbraw/zinc/04/27/37/542042737.db2.gz WYRAPHMAXPBTCK-UHFFFAOYSA-N 1 0 360.527 2.040 20 30 FEEDRO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[NH+]2CCC3(CNC(=O)C3)CC2)cc1 ZINC000075012634 542144467 /nfs/dbraw/zinc/14/44/67/542144467.db2.gz FPEQAKUVQUWWCS-QGZVFWFLSA-N 1 0 368.481 2.232 20 30 FEEDRO CC[C@H](C)[NH2+][C@H](CNC(=O)C(=O)Nc1sccc1C#N)c1ccco1 ZINC000551258068 674134413 /nfs/dbraw/zinc/13/44/13/674134413.db2.gz BSMWNEDZECRPDQ-WCQYABFASA-N 1 0 360.439 2.397 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cc(Cl)ccc2OC)CC1 ZINC000076525966 542289133 /nfs/dbraw/zinc/28/91/33/542289133.db2.gz JXANQOOTDVZJGD-UHFFFAOYSA-N 1 0 351.834 2.054 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)[C@@H]2CCC(=O)N(C)[C@H]2c2cccs2)CC1 ZINC000076593086 542298595 /nfs/dbraw/zinc/29/85/95/542298595.db2.gz HAQQEAPCTYRFCO-CRAIPNDOSA-N 1 0 361.511 2.424 20 30 FEEDRO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2OC(C)C)C1 ZINC000076666183 542309810 /nfs/dbraw/zinc/30/98/10/542309810.db2.gz VJMQLLIMOISOIL-MRXNPFEDSA-N 1 0 372.469 2.227 20 30 FEEDRO N#Cc1ccccc1N1CCN(C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000076983889 542338849 /nfs/dbraw/zinc/33/88/49/542338849.db2.gz JFYCQMDGJBPEMV-SFHVURJKSA-N 1 0 367.497 2.407 20 30 FEEDRO N#Cc1c(NC(=O)CC[NH+]2CCC(C(N)=O)CC2)sc2c1CCCCC2 ZINC000021323999 220356492 /nfs/dbraw/zinc/35/64/92/220356492.db2.gz KGMRFMZSHGFFAN-UHFFFAOYSA-N 1 0 374.510 2.415 20 30 FEEDRO C[N@H+](CC(=O)N(CCC#N)CCC#N)[C@@H]1CCCN(c2ccccc2)C1 ZINC000081013576 542624137 /nfs/dbraw/zinc/62/41/37/542624137.db2.gz NUOHZANNHDHANQ-LJQANCHMSA-N 1 0 353.470 2.243 20 30 FEEDRO N#Cc1ccc(NCC(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)cc1 ZINC000081935156 542679926 /nfs/dbraw/zinc/67/99/26/542679926.db2.gz AGYGCHSAUZMSRT-UHFFFAOYSA-N 1 0 370.497 2.369 20 30 FEEDRO CC[C@H]1CN(C)c2ccccc2C[N@@H+]1CC(=O)N(CCC#N)CCC#N ZINC000088562259 542752681 /nfs/dbraw/zinc/75/26/81/542752681.db2.gz DHSCAGCZVZRNOY-SFHVURJKSA-N 1 0 353.470 2.373 20 30 FEEDRO CCN(C[C@@H](C)C#N)C(=O)CNc1ccccc1C[NH+]1CCC(CO)CC1 ZINC000088532744 542752726 /nfs/dbraw/zinc/75/27/26/542752726.db2.gz PAOQQBCBGITLMH-KRWDZBQOSA-N 1 0 372.513 2.311 20 30 FEEDRO C[NH+]=C(NCc1nc(C(F)(F)F)cs1)N1CCC(C(=O)OC)CC1 ZINC000088918102 542758068 /nfs/dbraw/zinc/75/80/68/542758068.db2.gz OREXJCLRLHDQAR-UHFFFAOYSA-N 1 0 364.393 2.122 20 30 FEEDRO C=CCC[C@@H](CCC)[NH2+]C1CCN(S(=O)(=O)c2cnn(C)c2)CC1 ZINC000090081257 542781979 /nfs/dbraw/zinc/78/19/79/542781979.db2.gz CPXPGZNBAQUDRA-OAHLLOKOSA-N 1 0 354.520 2.298 20 30 FEEDRO N#CCOc1cccc(CC(=O)Nc2cnn(CC[NH+]3CCCCC3)c2)c1 ZINC000093081812 542908212 /nfs/dbraw/zinc/90/82/12/542908212.db2.gz GZBOZHSIOLMZCL-UHFFFAOYSA-N 1 0 367.453 2.453 20 30 FEEDRO Cc1sc2nc(C[N@H+](C)CCCc3[nH]nc(N)c3C#N)nc(N)c2c1C ZINC000093217216 542918041 /nfs/dbraw/zinc/91/80/41/542918041.db2.gz RNEWSRWMOKEQFY-UHFFFAOYSA-N 1 0 370.486 2.132 20 30 FEEDRO COC(=O)C(C)(C)[C@@H]1CCC[N@H+](C[C@H](O)COc2ccc(CC#N)cc2)C1 ZINC000093298061 542924432 /nfs/dbraw/zinc/92/44/32/542924432.db2.gz QAGGLGCUMHEFPK-MSOLQXFVSA-N 1 0 374.481 2.404 20 30 FEEDRO C=CC1CC[NH+](Cc2ccc(OCC(=O)N3CCOCC3)c(OC)c2)CC1 ZINC000093359275 542928871 /nfs/dbraw/zinc/92/88/71/542928871.db2.gz REVBOSDHIOXVIF-UHFFFAOYSA-N 1 0 374.481 2.331 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)NCCc2cccc(C(=O)OC)c2)CC1 ZINC000093792279 542940535 /nfs/dbraw/zinc/94/05/35/542940535.db2.gz QEZWJYCMXLQVAG-UHFFFAOYSA-N 1 0 359.470 2.355 20 30 FEEDRO CCCC(=O)NC[C@H]1CCCN([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000101913581 543049249 /nfs/dbraw/zinc/04/92/49/543049249.db2.gz ZCMNXURWIUIFBQ-IEBWSBKVSA-N 1 0 368.481 2.292 20 30 FEEDRO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCCC[C@H]2CC(N)=O)c1C ZINC000103286617 543101325 /nfs/dbraw/zinc/10/13/25/543101325.db2.gz YFZIUDNVPMNCCX-KRWDZBQOSA-N 1 0 356.470 2.280 20 30 FEEDRO C[NH+](C)Cc1cccc(NC(=O)C(=O)NCc2ccc(C#N)cc2F)c1 ZINC000105752581 543182135 /nfs/dbraw/zinc/18/21/35/543182135.db2.gz ZNQXGLYRWPYOKS-UHFFFAOYSA-N 1 0 354.385 2.014 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)CCN2c3ccccc3O[C@@H](C)C2=O)CC1 ZINC000106038006 543186144 /nfs/dbraw/zinc/18/61/44/543186144.db2.gz XKWNMJXXKNZFJD-INIZCTEOSA-N 1 0 371.481 2.347 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C[C@H](NC(C)=O)c2ccc(OC)cc2)CC1 ZINC000106039073 543186788 /nfs/dbraw/zinc/18/67/88/543186788.db2.gz MXLXYUPAEBGHFN-FQEVSTJZSA-N 1 0 373.497 2.419 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)NCCC(=O)N2CCCCCC2)CC1 ZINC000106268383 543221372 /nfs/dbraw/zinc/22/13/72/543221372.db2.gz DMDIPRPBBDHEED-UHFFFAOYSA-N 1 0 350.507 2.119 20 30 FEEDRO COc1ccccc1[C@H](CNC(=O)N1CCO[C@@H](C#N)C1)[NH+]1CCCCC1 ZINC000106333936 543223575 /nfs/dbraw/zinc/22/35/75/543223575.db2.gz UFSOGTOVMKGGOM-WMZOPIPTSA-N 1 0 372.469 2.156 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cccc(Cl)c2OC)CC1 ZINC000106348895 543224661 /nfs/dbraw/zinc/22/46/61/543224661.db2.gz JNHLSZNYOMDRCN-UHFFFAOYSA-N 1 0 365.861 2.444 20 30 FEEDRO C[C@@H](O)[C@@H]1CCCC[N@@H+]1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000106863799 543251043 /nfs/dbraw/zinc/25/10/43/543251043.db2.gz JSQAAWPYZMOLIR-PBHICJAKSA-N 1 0 368.399 2.408 20 30 FEEDRO CC(C)[C@@H](C(=O)N1CCN(c2c(C#N)cnc3ccccc32)CC1)[NH+](C)C ZINC000106913688 543255568 /nfs/dbraw/zinc/25/55/68/543255568.db2.gz HUCBFBBHHAKZPV-IBGZPJMESA-N 1 0 365.481 2.341 20 30 FEEDRO C[NH+](C)CCOc1ccccc1CNC(=O)Cc1ccc(OCC#N)cc1 ZINC000110671724 543364836 /nfs/dbraw/zinc/36/48/36/543364836.db2.gz SQHVJYIICRKYMF-UHFFFAOYSA-N 1 0 367.449 2.388 20 30 FEEDRO C=CC1CC[NH+](CC(=O)NCc2ccc(C(=O)N3CCCC3)cc2)CC1 ZINC000111256964 543389723 /nfs/dbraw/zinc/38/97/23/543389723.db2.gz HBUHGCMNAZJMSO-UHFFFAOYSA-N 1 0 355.482 2.437 20 30 FEEDRO CCOc1ccc(C2(C[NH2+][C@H](C)C(=O)N(C)CCC#N)CCOCC2)cc1 ZINC000112535178 543450999 /nfs/dbraw/zinc/45/09/99/543450999.db2.gz LTLONLWVYXQSSI-QGZVFWFLSA-N 1 0 373.497 2.484 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1sccc1-n1cnnn1)C(C)C ZINC000112919798 543468799 /nfs/dbraw/zinc/46/87/99/543468799.db2.gz PBGYYIQVSFIEGS-OAHLLOKOSA-N 1 0 360.487 2.152 20 30 FEEDRO Cc1ccc(CNC(Nc2ccccc2)=[NH+]CCN2C(=O)CNC2=O)cc1 ZINC000113700320 543495335 /nfs/dbraw/zinc/49/53/35/543495335.db2.gz UJQVOTXCJCVSEF-UHFFFAOYSA-N 1 0 365.437 2.105 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cccc(-n2cncn2)c1 ZINC000115336842 543560758 /nfs/dbraw/zinc/56/07/58/543560758.db2.gz DLZCLWWYSIWSKO-UHFFFAOYSA-N 1 0 374.448 2.343 20 30 FEEDRO C=CC[C@@H](C)NC(=O)C(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1C ZINC000117076069 543623086 /nfs/dbraw/zinc/62/30/86/543623086.db2.gz RLONXUIQBQFNBA-MRXNPFEDSA-N 1 0 358.486 2.156 20 30 FEEDRO C#CCSCCNC(=O)N(C)C1CC[NH+](CCc2ccncc2)CC1 ZINC000121514637 543695554 /nfs/dbraw/zinc/69/55/54/543695554.db2.gz WSAILWWFPZIPEU-UHFFFAOYSA-N 1 0 360.527 2.096 20 30 FEEDRO CCC[C@H]1CN([C@@H](C)C(=O)NC2(C#N)CCCCC2)CC[N@@H+]1CCOC ZINC000121634775 543697813 /nfs/dbraw/zinc/69/78/13/543697813.db2.gz YIGIKQKEZNGZFB-ROUUACIJSA-N 1 0 364.534 2.150 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1ccn(CCc2ccncc2)n1 ZINC000120545641 543681989 /nfs/dbraw/zinc/68/19/89/543681989.db2.gz BCSASBUGNZOIBZ-UHFFFAOYSA-N 1 0 369.473 2.220 20 30 FEEDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)C1 ZINC000121972001 543701901 /nfs/dbraw/zinc/70/19/01/543701901.db2.gz VRKRVDWZZOHGTM-CRAIPNDOSA-N 1 0 368.481 2.369 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000123819215 543784735 /nfs/dbraw/zinc/78/47/35/543784735.db2.gz RYFFCMVPFLEJAA-UHFFFAOYSA-N 1 0 350.532 2.472 20 30 FEEDRO N#Cc1ccc2ncc(C[NH2+]C[C@H](c3ccccc3)N3CCOCC3)n2c1 ZINC000123216521 543749582 /nfs/dbraw/zinc/74/95/82/543749582.db2.gz WOAHMQASRXUKAM-HXUWFJFHSA-N 1 0 361.449 2.369 20 30 FEEDRO CS(=O)(=O)Cc1ccc(C[NH2+]Cc2cnc3ccc(C#N)cn23)cc1 ZINC000123379390 543758405 /nfs/dbraw/zinc/75/84/05/543758405.db2.gz YILJIVGGOXIZNS-UHFFFAOYSA-N 1 0 354.435 2.040 20 30 FEEDRO C[C@H]1C[C@H](NS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)CN1C1CC1 ZINC000124070134 543799631 /nfs/dbraw/zinc/79/96/31/543799631.db2.gz VZCJNNAVYHMURQ-JQWIXIFHSA-N 1 0 373.400 2.481 20 30 FEEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CN2CCC[C@](C)(O)C2)c1C#N ZINC000124770137 543841674 /nfs/dbraw/zinc/84/16/74/543841674.db2.gz PNYYAQFTAHPPCE-FQEVSTJZSA-N 1 0 370.453 2.403 20 30 FEEDRO C[C@H](C(=O)Nc1cccc(Cl)c1)[N@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000125476093 543884073 /nfs/dbraw/zinc/88/40/73/543884073.db2.gz YKYGFMJOGXEOAY-LLVKDONJSA-N 1 0 360.849 2.409 20 30 FEEDRO Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3C[C@@H](C)CCC[C@@H]3C)CC2)o1 ZINC000125440006 543882244 /nfs/dbraw/zinc/88/22/44/543882244.db2.gz TVBUDMAUFQQEBP-GJZGRUSLSA-N 1 0 359.474 2.014 20 30 FEEDRO Cc1c(Cl)cccc1NC(=O)C[N@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000125449546 543882493 /nfs/dbraw/zinc/88/24/93/543882493.db2.gz WTGVXMYCTILRQD-UHFFFAOYSA-N 1 0 360.849 2.329 20 30 FEEDRO N#Cc1cccnc1N1CCC[N@H+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000126089573 543917914 /nfs/dbraw/zinc/91/79/14/543917914.db2.gz WVBCVNCHKBRYBG-UHFFFAOYSA-N 1 0 350.422 2.437 20 30 FEEDRO CN(CCC#N)S(=O)(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000127206374 543978382 /nfs/dbraw/zinc/97/83/82/543978382.db2.gz UMCWMRQEHAFEPU-UHFFFAOYSA-N 1 0 364.515 2.242 20 30 FEEDRO C=CCCOCCNC(=O)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000127231191 543979867 /nfs/dbraw/zinc/97/98/67/543979867.db2.gz BICPRBPVYWGXEB-CALCHBBNSA-N 1 0 353.507 2.110 20 30 FEEDRO C[N@@H+]1CCC[C@@H]2CN(S(=O)(=O)c3ccc(Cl)cc3C#N)CC[C@@H]21 ZINC000126880792 543961569 /nfs/dbraw/zinc/96/15/69/543961569.db2.gz ZHNXUOFSMDFREK-DOMZBBRYSA-N 1 0 353.875 2.316 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1cccn(CC(F)(F)F)c1=O ZINC000126912725 543963151 /nfs/dbraw/zinc/96/31/51/543963151.db2.gz QGZKASNSJAMQMT-UHFFFAOYSA-N 1 0 373.379 2.110 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@H](C)Oc2cccc(Cl)c2)c1C#N ZINC000128130380 544034314 /nfs/dbraw/zinc/03/43/14/544034314.db2.gz BULGGPGWHSBTKB-NSHDSACASA-N 1 0 361.833 2.493 20 30 FEEDRO CC[C@@H](CC#N)NC(=O)C(=O)Nc1ccc(OCC[NH+](CC)CC)cc1 ZINC000128415471 544051925 /nfs/dbraw/zinc/05/19/25/544051925.db2.gz DHZDYTRFSDTTCK-HNNXBMFYSA-N 1 0 360.458 2.154 20 30 FEEDRO C=CCN(CC=C)C(=O)C(=O)Nc1cccc(N2CC[NH+](C(C)C)CC2)c1 ZINC000128482958 544055285 /nfs/dbraw/zinc/05/52/85/544055285.db2.gz NJZYBGZRKQVHFQ-UHFFFAOYSA-N 1 0 370.497 2.356 20 30 FEEDRO N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CCc3ccccc3[C@@H]2CO)cc1 ZINC000129413744 544110581 /nfs/dbraw/zinc/11/05/81/544110581.db2.gz CKAVEWAGNTXRAQ-RXVVDRJESA-N 1 0 352.434 2.084 20 30 FEEDRO CC(C)(O)C[NH+]1CCN(Cc2cn(CCC#N)nc2-c2ccccc2)CC1 ZINC000129952542 544132732 /nfs/dbraw/zinc/13/27/32/544132732.db2.gz IOVHXANGGDXUAI-UHFFFAOYSA-N 1 0 367.497 2.352 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC[C@H]1c1nncn1C)C(C)C ZINC000130077706 544138074 /nfs/dbraw/zinc/13/80/74/544138074.db2.gz CXOCIXTYAUYOMU-DLBZAZTESA-N 1 0 360.506 2.360 20 30 FEEDRO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C(N)=O)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000131018940 544173953 /nfs/dbraw/zinc/17/39/53/544173953.db2.gz SWCFNCQDXMKXKF-RRQGHBQHSA-N 1 0 360.433 2.095 20 30 FEEDRO CN(CCC#N)C(=O)CC[NH+]1CCC(C(=O)Nc2ccc(F)cc2)CC1 ZINC000131852051 544208989 /nfs/dbraw/zinc/20/89/89/544208989.db2.gz KIYVGDDJBOXQHA-UHFFFAOYSA-N 1 0 360.433 2.238 20 30 FEEDRO CCOc1ccc(N(CCC#N)C(=O)CN2CCOC[C@H]2C2CC2)cc1 ZINC000132400377 544229604 /nfs/dbraw/zinc/22/96/04/544229604.db2.gz WOBYWAVBTSGDQL-IBGZPJMESA-N 1 0 357.454 2.443 20 30 FEEDRO CC[C@@](C)([NH2+]CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1)C(N)=O ZINC000133630047 544277805 /nfs/dbraw/zinc/27/78/05/544277805.db2.gz MYKBSWXDXLZXFB-QGZVFWFLSA-N 1 0 350.850 2.139 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1ccc2[nH]c(=O)n(C)c2c1)C(C)C ZINC000133047550 544253988 /nfs/dbraw/zinc/25/39/88/544253988.db2.gz FOTFZSLAOLALMU-SFHVURJKSA-N 1 0 356.470 2.295 20 30 FEEDRO N#CC1(C(=O)NCCCC[NH+]2CCN(Cc3ccccc3)CC2)CCC1 ZINC000134632305 544316208 /nfs/dbraw/zinc/31/62/08/544316208.db2.gz ZDEWZSYIEPSMPM-UHFFFAOYSA-N 1 0 354.498 2.394 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N2CCC[C@H](C(=O)OC(C)(C)C)C2)CC1 ZINC000135112482 544334845 /nfs/dbraw/zinc/33/48/45/544334845.db2.gz JDVBYWBEOWXNCV-HNNXBMFYSA-N 1 0 351.491 2.400 20 30 FEEDRO N#Cc1cccc(CNC(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)c1 ZINC000137231566 544387531 /nfs/dbraw/zinc/38/75/31/544387531.db2.gz RMNNGFGYHDHLKJ-RBUKOAKNSA-N 1 0 356.470 2.125 20 30 FEEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)NC[C@@H]3CCCCO3)CC2)cc1 ZINC000139406797 544402220 /nfs/dbraw/zinc/40/22/20/544402220.db2.gz BWGRIMPTKYBXAA-IBGZPJMESA-N 1 0 356.470 2.345 20 30 FEEDRO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)c2c(F)cc(C#N)cc2F)CC1 ZINC000152870040 544705212 /nfs/dbraw/zinc/70/52/12/544705212.db2.gz KYOFAHJVGMECDP-HNNXBMFYSA-N 1 0 362.424 2.079 20 30 FEEDRO N#Cc1cccc(NC(=O)CC[NH+]2CCC(N3CCCCC3=O)CC2)c1 ZINC000153269180 544753936 /nfs/dbraw/zinc/75/39/36/544753936.db2.gz YCCRLQVSFFOTPQ-UHFFFAOYSA-N 1 0 354.454 2.364 20 30 FEEDRO CCN(Cc1ccccc1)C(=O)[C@H](C)[N@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000153275474 544755116 /nfs/dbraw/zinc/75/51/16/544755116.db2.gz YECGJFVYXPMPHC-HNNXBMFYSA-N 1 0 368.485 2.165 20 30 FEEDRO C[N@H+](CCCc1[nH]nc(N)c1C#N)CC(=O)Nc1ccc(F)cc1Cl ZINC000153340359 544763028 /nfs/dbraw/zinc/76/30/28/544763028.db2.gz FWOKCKGBKAWJPM-UHFFFAOYSA-N 1 0 364.812 2.159 20 30 FEEDRO CC[NH+]=C(NCc1ccc(C)nc1)N1CCN(c2nc(CC)ns2)CC1 ZINC000153163190 544740990 /nfs/dbraw/zinc/74/09/90/544740990.db2.gz AFCUJAJNCKDTBD-UHFFFAOYSA-N 1 0 373.530 2.092 20 30 FEEDRO C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000154413522 544902756 /nfs/dbraw/zinc/90/27/56/544902756.db2.gz BWTBZSBYTSAUHL-HOTGVXAUSA-N 1 0 372.469 2.249 20 30 FEEDRO C=CCN(C(=O)C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)C(C)C ZINC000803221389 674229075 /nfs/dbraw/zinc/22/90/75/674229075.db2.gz YBMPUEDNBXOEAU-INIZCTEOSA-N 1 0 363.527 2.499 20 30 FEEDRO COCCNS(=O)(=O)c1cccc(C[NH2+][C@H](C)c2cccc(C#N)c2)c1 ZINC000181771213 327745661 /nfs/dbraw/zinc/74/56/61/327745661.db2.gz ZUWBEIJUMMNLOM-OAHLLOKOSA-N 1 0 373.478 2.334 20 30 FEEDRO COCCOc1ccc(C#N)cc1NC(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000184606579 327875269 /nfs/dbraw/zinc/87/52/69/327875269.db2.gz OJIAMKVAYJKDBQ-MRXNPFEDSA-N 1 0 358.442 2.285 20 30 FEEDRO C[NH+](C)CCn1c2cc(NC(=O)c3cccc(F)c3C#N)ccc2oc1=O ZINC000187274230 328012460 /nfs/dbraw/zinc/01/24/60/328012460.db2.gz AFBWGKYKHDIVRL-UHFFFAOYSA-N 1 0 368.368 2.419 20 30 FEEDRO CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc(C#N)cs1 ZINC000188071982 328063953 /nfs/dbraw/zinc/06/39/53/328063953.db2.gz VEASYUXSJKCQJL-LJQANCHMSA-N 1 0 355.463 2.329 20 30 FEEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000188210870 328073505 /nfs/dbraw/zinc/07/35/05/328073505.db2.gz AUHIMNVFZFFVKX-UHFFFAOYSA-N 1 0 372.469 2.227 20 30 FEEDRO CCOC(=O)C1CCC([NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 ZINC000190838016 328235319 /nfs/dbraw/zinc/23/53/19/328235319.db2.gz IZOSAQZEXGWAIQ-CTWPCTMYSA-N 1 0 369.465 2.371 20 30 FEEDRO C[C@@H](NC(=O)C(=O)Nc1ccc(F)c(C#N)c1)[C@H](c1ccccc1)[NH+](C)C ZINC000191253832 328256666 /nfs/dbraw/zinc/25/66/66/328256666.db2.gz FWNMKYLKVLTHIF-FZKQIMNGSA-N 1 0 368.412 2.443 20 30 FEEDRO CCn1nccc1N1CCC[C@@H]([NH2+]Cc2ccc(OC)c(C#N)c2)C1=O ZINC000191642774 328275489 /nfs/dbraw/zinc/27/54/89/328275489.db2.gz NDXOCOJQODNJPV-MRXNPFEDSA-N 1 0 353.426 2.068 20 30 FEEDRO CC[C@@H](O)C[NH+]1CCN(Cc2cc(C#N)ccc2Br)CC1 ZINC000191799678 328282452 /nfs/dbraw/zinc/28/24/52/328282452.db2.gz PHMQYZUDXNKJJB-OAHLLOKOSA-N 1 0 352.276 2.209 20 30 FEEDRO CC(C)(C)n1cc(C[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cn1 ZINC000192244557 328308698 /nfs/dbraw/zinc/30/86/98/328308698.db2.gz OXMPUNRCXXPMHG-GOSISDBHSA-N 1 0 351.454 2.400 20 30 FEEDRO C[N@H+]1C[C@H]2CN(C(=O)c3ccc(COc4ccccc4C#N)o3)C[C@H]2C1 ZINC000192474056 328320817 /nfs/dbraw/zinc/32/08/17/328320817.db2.gz CCQNFHUSBJXEMS-IYBDPMFKSA-N 1 0 351.406 2.364 20 30 FEEDRO C[C@@H](NC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1)C(C)(C)C[NH+](C)C ZINC000085291124 325250038 /nfs/dbraw/zinc/25/00/38/325250038.db2.gz GOUQEZLOCMIWKB-LLVKDONJSA-N 1 0 350.850 2.243 20 30 FEEDRO N#Cc1ccc(Cl)c(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)c1 ZINC000088775437 325300766 /nfs/dbraw/zinc/30/07/66/325300766.db2.gz LUXUNRBDDICOIR-CYBMUJFWSA-N 1 0 360.845 2.283 20 30 FEEDRO CC[NH+]1CCC(CCNC(=O)C(=O)Nc2cc(C#N)ccc2Cl)CC1 ZINC000088779232 325301299 /nfs/dbraw/zinc/30/12/99/325301299.db2.gz YZVFIMQETVGSAB-UHFFFAOYSA-N 1 0 362.861 2.388 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(-n3cc(C)cn3)cc2)c1C#N ZINC000089663234 325326184 /nfs/dbraw/zinc/32/61/84/325326184.db2.gz HYNUDWARBGHFAK-UHFFFAOYSA-N 1 0 363.425 2.180 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)CCc2ccc(OC)c(OC)c2)c1C#N ZINC000089674409 325326349 /nfs/dbraw/zinc/32/63/49/325326349.db2.gz MMBXAJIZTYMYKV-UHFFFAOYSA-N 1 0 371.441 2.022 20 30 FEEDRO Cc1ccccc1[C@@H](C)NC(=O)[C@@H](C)[N@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000089943753 325344287 /nfs/dbraw/zinc/34/42/87/325344287.db2.gz HYRLHNBHBFHNLP-HUUCEWRRSA-N 1 0 368.485 2.302 20 30 FEEDRO CC[NH+]1CCC(NC(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)CC1 ZINC000092148966 325403607 /nfs/dbraw/zinc/40/36/07/325403607.db2.gz AEPGANSVAPAGAZ-UHFFFAOYSA-N 1 0 371.485 2.427 20 30 FEEDRO Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NC[C@H](CC(C)C)[NH+](C)C ZINC000114140328 325874889 /nfs/dbraw/zinc/87/48/89/325874889.db2.gz WLIFNLRWYKNZRF-KRWDZBQOSA-N 1 0 370.501 2.243 20 30 FEEDRO C[C@@H](CNS(=O)(=O)Cc1cc(C#N)ccc1F)[N@@H+]1CCC[C@H](C)C1 ZINC000120735283 326283625 /nfs/dbraw/zinc/28/36/25/326283625.db2.gz CRNOYSXDZMFKNC-KBPBESRZSA-N 1 0 353.463 2.237 20 30 FEEDRO Cn1cc(C[N@@H+]2CCCN(C(=O)C3CC3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000121334919 326330643 /nfs/dbraw/zinc/33/06/43/326330643.db2.gz SXCHWPFGNNFLMN-UHFFFAOYSA-N 1 0 363.465 2.403 20 30 FEEDRO Cc1cc(NC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)nn1C ZINC000122099073 326383739 /nfs/dbraw/zinc/38/37/39/326383739.db2.gz QQJZWGWWZOMFPL-UHFFFAOYSA-N 1 0 352.442 2.340 20 30 FEEDRO C[NH+]1CCC(Oc2ccc(NC(=O)COc3ccc(C#N)cc3)cn2)CC1 ZINC000153080128 326723429 /nfs/dbraw/zinc/72/34/29/326723429.db2.gz RCSYPWJHUKHMOG-UHFFFAOYSA-N 1 0 366.421 2.444 20 30 FEEDRO C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc(F)cc1C#N)Cc1ccccc1 ZINC000156157072 326819794 /nfs/dbraw/zinc/81/97/94/326819794.db2.gz LLHHDKBQXRQSKU-QGZVFWFLSA-N 1 0 361.442 2.149 20 30 FEEDRO CC[C@@H]1CCCC[N@@H+]1CCNS(=O)(=O)Cc1cc(C#N)ccc1F ZINC000162776177 327034467 /nfs/dbraw/zinc/03/44/67/327034467.db2.gz CQOMEOSUYZLWDV-MRXNPFEDSA-N 1 0 353.463 2.381 20 30 FEEDRO CC(C)CN(CC[NH+](C)C)C(=O)C(=O)Nc1cc(C#N)ccc1Cl ZINC000162784790 327034612 /nfs/dbraw/zinc/03/46/12/327034612.db2.gz GGURCXQUISFJAM-UHFFFAOYSA-N 1 0 350.850 2.196 20 30 FEEDRO CC[NH+](CC)[C@H](CNS(=O)(=O)c1ccc(C#N)nc1)Cc1ccccc1 ZINC000170660645 327091975 /nfs/dbraw/zinc/09/19/75/327091975.db2.gz OFONFDPGCOGWBV-SFHVURJKSA-N 1 0 372.494 2.185 20 30 FEEDRO Cc1ccc([C@@H](CNC(=O)CNC(=O)c2ccc(C#N)cc2)[NH+](C)C)cc1 ZINC000171117271 327119262 /nfs/dbraw/zinc/11/92/62/327119262.db2.gz YDLJJEYIUZIMOF-LJQANCHMSA-N 1 0 364.449 2.016 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)COc1ccc(C=O)cc1 ZINC000171382734 327135888 /nfs/dbraw/zinc/13/58/88/327135888.db2.gz XNPRVFJYGZHYPA-UHFFFAOYSA-N 1 0 365.433 2.340 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCc1cccc(CO)c1 ZINC000171711931 327157002 /nfs/dbraw/zinc/15/70/02/327157002.db2.gz XHGQBXYMYSXJBB-UHFFFAOYSA-N 1 0 366.465 2.324 20 30 FEEDRO C[NH+](C)CC[C@H](NC(=O)N1CCN(c2ccc(C#N)cn2)CC1)C(C)(C)C ZINC000172125277 327182383 /nfs/dbraw/zinc/18/23/83/327182383.db2.gz UBOXWEYJDXHDPK-KRWDZBQOSA-N 1 0 372.517 2.151 20 30 FEEDRO Cc1cc(C#N)ccc1S(=O)(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000172673263 327214236 /nfs/dbraw/zinc/21/42/36/327214236.db2.gz WHONQKIRRLVUBU-UHFFFAOYSA-N 1 0 373.478 2.286 20 30 FEEDRO C[NH+](C)CCn1ccc(NC(=O)NCCSCc2ccccc2C#N)n1 ZINC000173914451 327293935 /nfs/dbraw/zinc/29/39/35/327293935.db2.gz FXSFVFDJPNCGSL-UHFFFAOYSA-N 1 0 372.498 2.371 20 30 FEEDRO C[NH+](C)CCNC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 ZINC000174854135 327355245 /nfs/dbraw/zinc/35/52/45/327355245.db2.gz SQTSCSVDGAMBNN-UHFFFAOYSA-N 1 0 370.384 2.106 20 30 FEEDRO Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NCc1cccc(C#N)c1 ZINC000176045935 327430385 /nfs/dbraw/zinc/43/03/85/327430385.db2.gz DXIHJBMTQDUZJU-UHFFFAOYSA-N 1 0 350.422 2.183 20 30 FEEDRO CC[C@@](C)([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCCC2)C(N)=O ZINC000177136392 327500536 /nfs/dbraw/zinc/50/05/36/327500536.db2.gz NBISQELXOYQUJF-GOSISDBHSA-N 1 0 362.499 2.461 20 30 FEEDRO C[C@]1(CNS(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)CCC[NH2+]C1 ZINC000262400702 328863578 /nfs/dbraw/zinc/86/35/78/328863578.db2.gz ZQBHVDPNWYFGTK-AWEZNQCLSA-N 1 0 361.389 2.245 20 30 FEEDRO CC[NH+]1CCN([C@H]2CCN(C(=O)N[C@H](C)c3ccc(C#N)cc3)C2)CC1 ZINC000264370356 329015373 /nfs/dbraw/zinc/01/53/73/329015373.db2.gz GKODIRJTFYIGBB-APWZRJJASA-N 1 0 355.486 2.041 20 30 FEEDRO CCc1nnc(N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)c(C#N)c1CC ZINC000268162909 329392101 /nfs/dbraw/zinc/39/21/01/329392101.db2.gz ILDXSBNAMSQUFK-INIZCTEOSA-N 1 0 356.518 2.079 20 30 FEEDRO C[NH+]1CCC([C@H]2CCN(S(=O)(=O)c3ccc(F)cc3C#N)C2)CC1 ZINC000270207018 329582416 /nfs/dbraw/zinc/58/24/16/329582416.db2.gz KSFQTKKXIZXQCS-AWEZNQCLSA-N 1 0 351.447 2.050 20 30 FEEDRO C[C@H]([NH2+]CC(=O)NCCCN1CCCCCC1=O)c1ccc(C#N)cc1 ZINC000271627986 329709138 /nfs/dbraw/zinc/70/91/38/329709138.db2.gz FCDYCVZJLWUPCD-INIZCTEOSA-N 1 0 356.470 2.118 20 30 FEEDRO N#Cc1cccc(C2([NH2+]C[C@@H](O)COc3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000271747278 329721286 /nfs/dbraw/zinc/72/12/86/329721286.db2.gz DVOLEHPFHPYIHR-QGZVFWFLSA-N 1 0 353.378 2.485 20 30 FEEDRO CC(C)OC(=O)CCCNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000274223406 329927979 /nfs/dbraw/zinc/92/79/79/329927979.db2.gz QGCVVQNAQGPMJC-UHFFFAOYSA-N 1 0 374.485 2.363 20 30 FEEDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)Nc1cc(C#N)ccc1Cl ZINC000275888511 330100333 /nfs/dbraw/zinc/10/03/33/330100333.db2.gz PKXFWLSJZJTLMQ-GFCCVEGCSA-N 1 0 362.861 2.339 20 30 FEEDRO Cc1nc(C#N)c(N2CCC(C(=O)N3CC[C@H]4[C@@H](CCC[N@H+]4C)C3)CC2)o1 ZINC000276470133 330155434 /nfs/dbraw/zinc/15/54/34/330155434.db2.gz QFAJOBCYHKUTQY-WMZOPIPTSA-N 1 0 371.485 2.014 20 30 FEEDRO N#Cc1ccc(OCCNC(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@H]3C2)cc1 ZINC000361448584 330204165 /nfs/dbraw/zinc/20/41/65/330204165.db2.gz BAITVGLYNVHFDX-YTQUADARSA-N 1 0 354.454 2.063 20 30 FEEDRO CC[C@@H](COC)NC(=O)N(C)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC000328633041 522574858 /nfs/dbraw/zinc/57/48/58/522574858.db2.gz SHUBRDLRTMLJKQ-BHYGNILZSA-N 1 0 351.495 2.074 20 30 FEEDRO C[NH+]1CCN(CCNC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)CC1 ZINC000155290520 545506861 /nfs/dbraw/zinc/50/68/61/545506861.db2.gz DUEMSGCDWIAHFY-UHFFFAOYSA-N 1 0 363.465 2.279 20 30 FEEDRO C[NH+]=C(NCc1c(C)noc1C)NC[C@@H](C)N1CCc2sccc2C1 ZINC000156089821 545598333 /nfs/dbraw/zinc/59/83/33/545598333.db2.gz LLLFIMUFRFTPSF-GFCCVEGCSA-N 1 0 361.515 2.465 20 30 FEEDRO Cc1cccc(S(=O)(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)c1C#N ZINC000156156824 545603598 /nfs/dbraw/zinc/60/35/98/545603598.db2.gz PPNNSKKETHULPD-KRWDZBQOSA-N 1 0 357.479 2.318 20 30 FEEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+]2CC[C@@H](CO)C2)c1C#N ZINC000156182541 545605468 /nfs/dbraw/zinc/60/54/68/545605468.db2.gz GFCCTLCISZZOCH-MRXNPFEDSA-N 1 0 370.453 2.261 20 30 FEEDRO CC(C)(Oc1ccc(C#N)cc1)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000157464294 545745284 /nfs/dbraw/zinc/74/52/84/545745284.db2.gz BVBASTRYZMOQTC-UHFFFAOYSA-N 1 0 350.422 2.459 20 30 FEEDRO COc1c[nH+]ccc1N1CCN(C(=O)CSc2ccc(C#N)cc2)CC1 ZINC000478437261 561166722 /nfs/dbraw/zinc/16/67/22/561166722.db2.gz HUBRFBJXZYITBK-UHFFFAOYSA-N 1 0 368.462 2.403 20 30 FEEDRO CC(C)Oc1ccc(NC(=O)C(=O)NCC[N@@H+]2CCCC[C@H]2C)cc1C#N ZINC000160178449 546014879 /nfs/dbraw/zinc/01/48/79/546014879.db2.gz DXIRAVPWIYBYJO-OAHLLOKOSA-N 1 0 372.469 2.275 20 30 FEEDRO C[C@H]1CCCC[N@@H+]1CCCNS(=O)(=O)Cc1cc(C#N)ccc1F ZINC000160212262 546017973 /nfs/dbraw/zinc/01/79/73/546017973.db2.gz OKYVSTYGTDFVPG-AWEZNQCLSA-N 1 0 353.463 2.381 20 30 FEEDRO C=CCN(CCOC)C(=O)NCCC[N@@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000478786437 561174748 /nfs/dbraw/zinc/17/47/48/561174748.db2.gz JCOIHFRBDDJGFG-HXUWFJFHSA-N 1 0 374.529 2.209 20 30 FEEDRO COc1ccc(CNC(=[NH2+])N[C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)cc1OC ZINC000162882103 546142354 /nfs/dbraw/zinc/14/23/54/546142354.db2.gz UASYMMJBHOKGLS-QGTPRVQTSA-N 1 0 359.470 2.456 20 30 FEEDRO C[NH+](C)Cc1cccc(NC(=O)C(=O)N(CCC#N)Cc2ccco2)c1 ZINC000164227948 546148669 /nfs/dbraw/zinc/14/86/69/546148669.db2.gz ZSFRJOCGHGCLQH-UHFFFAOYSA-N 1 0 354.410 2.222 20 30 FEEDRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)CNC(=O)c2ccc(C#N)cc2)C1 ZINC000171115307 546191687 /nfs/dbraw/zinc/19/16/87/546191687.db2.gz RDPQPALQVYCEKY-IYBDPMFKSA-N 1 0 370.497 2.161 20 30 FEEDRO C=CCSCCNC(=O)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000171258350 546200337 /nfs/dbraw/zinc/20/03/37/546200337.db2.gz NJSPFJGXCYOXKS-IYBDPMFKSA-N 1 0 355.548 2.436 20 30 FEEDRO COc1cc(/C=C/C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)ccc1OCC#N ZINC000171449875 546209980 /nfs/dbraw/zinc/20/99/80/546209980.db2.gz QCNQCHWDWAUISU-QQOXCAACSA-N 1 0 355.438 2.307 20 30 FEEDRO COc1cc(/C=C/C(=O)N2CC[C@H]([NH+]3CCCC3)C2)ccc1OCC#N ZINC000171449872 546210052 /nfs/dbraw/zinc/21/00/52/546210052.db2.gz QCNQCHWDWAUISU-UABRLCRWSA-N 1 0 355.438 2.307 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC(C(=O)NCCCC)CC2)CC1 ZINC000171607079 546215664 /nfs/dbraw/zinc/21/56/64/546215664.db2.gz VMGNDVLSZWMZAE-UHFFFAOYSA-N 1 0 364.534 2.365 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CSCN2C(=O)/C(C)=C/CC)CC1 ZINC000171728280 546221479 /nfs/dbraw/zinc/22/14/79/546221479.db2.gz JYMBUCNPAZXOGU-CVDFKLHSSA-N 1 0 365.543 2.401 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N2C[C@@H](C(=O)NCCCC)CC[C@H]2C)CC1 ZINC000171741982 546222926 /nfs/dbraw/zinc/22/29/26/546222926.db2.gz APVIWSJFTAGBLW-SJORKVTESA-N 1 0 364.534 2.363 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)Nc2cccc(-n3nnnc3SC)c2)CC1 ZINC000171740305 546223032 /nfs/dbraw/zinc/22/30/32/546223032.db2.gz CSGKSPAQSXXEOO-UHFFFAOYSA-N 1 0 373.486 2.156 20 30 FEEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)NCC[NH+]1CCCC1 ZINC000172304384 546245649 /nfs/dbraw/zinc/24/56/49/546245649.db2.gz FSPFYPKBPRWRJM-AWEZNQCLSA-N 1 0 360.483 2.089 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)c2ccccc2CSc2nc[nH]n2)CC1 ZINC000172349798 546249077 /nfs/dbraw/zinc/24/90/77/546249077.db2.gz HVJPWNJTVTWNSP-UHFFFAOYSA-N 1 0 357.483 2.477 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N2CCN(c3nc4ccccc4o3)CC2)CC1 ZINC000172384216 546251039 /nfs/dbraw/zinc/25/10/39/546251039.db2.gz QOIOTCAYYSNBHT-UHFFFAOYSA-N 1 0 369.469 2.310 20 30 FEEDRO N#CCOc1ccc(/C=C/C(=O)N2CC[NH+](CC3CCOCC3)CC2)cc1 ZINC000172462989 546253724 /nfs/dbraw/zinc/25/37/24/546253724.db2.gz TZDMJHVZJZNJHM-ZZXKWVIFSA-N 1 0 369.465 2.173 20 30 FEEDRO N#CCCSc1ccccc1NC(=O)C(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000173208695 546275739 /nfs/dbraw/zinc/27/57/39/546275739.db2.gz SJYQIISTCJTRCW-OAHLLOKOSA-N 1 0 370.478 2.104 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(CCSC)cc2)CC1 ZINC000173274677 546276926 /nfs/dbraw/zinc/27/69/26/546276926.db2.gz VOPIKBPMKAGJFE-UHFFFAOYSA-N 1 0 361.511 2.297 20 30 FEEDRO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2ccccc2SCCC#N)C1 ZINC000173727360 546285818 /nfs/dbraw/zinc/28/58/18/546285818.db2.gz AMSVDBDRIRXOES-OAHLLOKOSA-N 1 0 374.510 2.431 20 30 FEEDRO C[C@H](O)c1ccc(CNC2=[NH+]C[C@@H]3CN(C(=O)OC(C)(C)C)CCN23)cc1 ZINC000177002431 546522079 /nfs/dbraw/zinc/52/20/79/546522079.db2.gz NVWHIEMHTKVVPL-WMLDXEAASA-N 1 0 374.485 2.120 20 30 FEEDRO COc1cc(C#N)ccc1OCCCC(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000177064421 546536745 /nfs/dbraw/zinc/53/67/45/546536745.db2.gz BBIYEVSACCACPG-ZBFHGGJFSA-N 1 0 357.454 2.467 20 30 FEEDRO C[C@@H]1C[NH+](CCC2CCN(C(=O)C3(C#N)CCOCC3)CC2)C[C@@H](C)O1 ZINC000178240050 546762078 /nfs/dbraw/zinc/76/20/78/546762078.db2.gz MXIFZDRNKCAOBH-IAGOWNOFSA-N 1 0 363.502 2.045 20 30 FEEDRO C=CCOC[C@@H](NC(=O)c1ccc(C[NH+]2CCCCC2)cc1)C(=O)OC ZINC000481779715 561241945 /nfs/dbraw/zinc/24/19/45/561241945.db2.gz NDIAPVNPXKJNAP-GOSISDBHSA-N 1 0 360.454 2.147 20 30 FEEDRO CC(C)Oc1ccc(NC(=O)C(=O)NCCC[NH+]2CCCCC2)cc1C#N ZINC000179014247 546886946 /nfs/dbraw/zinc/88/69/46/546886946.db2.gz VYJWUXBJBKRKRX-UHFFFAOYSA-N 1 0 372.469 2.276 20 30 FEEDRO C[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc(F)cc2C#N)[C@@H]1c1ccccc1 ZINC000179475223 546960495 /nfs/dbraw/zinc/96/04/95/546960495.db2.gz KQTSMHYKOYVWOB-ROUUACIJSA-N 1 0 366.396 2.197 20 30 FEEDRO CNC(=O)C1CC[NH+](Cc2cn(CCC#N)nc2-c2ccccc2)CC1 ZINC000179821744 547017143 /nfs/dbraw/zinc/01/71/43/547017143.db2.gz WYSIUQNMLJARKN-UHFFFAOYSA-N 1 0 351.454 2.422 20 30 FEEDRO C=CCNC(=O)CNC(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000180212129 547067668 /nfs/dbraw/zinc/06/76/68/547067668.db2.gz VWTYCSZADDETAZ-OAHLLOKOSA-N 1 0 364.515 2.123 20 30 FEEDRO C=CCSCCNC(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000181162258 547262008 /nfs/dbraw/zinc/26/20/08/547262008.db2.gz ILYONWXITCQNCQ-UHFFFAOYSA-N 1 0 355.548 2.440 20 30 FEEDRO COc1c[nH+]ccc1N1CCN(CCOc2ccc(C#N)cc2OC)CC1 ZINC000483233546 561271357 /nfs/dbraw/zinc/27/13/57/561271357.db2.gz UFOYINMKWFMLNA-UHFFFAOYSA-N 1 0 368.437 2.171 20 30 FEEDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3c[nH]c(C#N)c3)cc2F)CC1 ZINC000181285646 547285834 /nfs/dbraw/zinc/28/58/34/547285834.db2.gz JDJDVPGEHJWCGM-UHFFFAOYSA-N 1 0 355.417 2.097 20 30 FEEDRO N#Cc1ccc(CN2CCC([NH2+]Cc3cccnc3-n3cncn3)CC2)cc1 ZINC000181503968 547324124 /nfs/dbraw/zinc/32/41/24/547324124.db2.gz HFZZPZZDSGRUFK-UHFFFAOYSA-N 1 0 373.464 2.288 20 30 FEEDRO C=CCC[C@@H](O)C[NH+]1CCN([C@H](C(=O)OC)c2cccc(Cl)c2)CC1 ZINC000483507093 561278596 /nfs/dbraw/zinc/27/85/96/561278596.db2.gz SPYFWTGPKDFTSM-MSOLQXFVSA-N 1 0 366.889 2.499 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(-c3cc[nH]n3)cc2)CC1 ZINC000181781870 547379121 /nfs/dbraw/zinc/37/91/21/547379121.db2.gz LJABFASBTLDCHA-UHFFFAOYSA-N 1 0 367.453 2.172 20 30 FEEDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)C(=O)Nc2ccccc2O[C@H](C)C#N)C1 ZINC000181880950 547396769 /nfs/dbraw/zinc/39/67/69/547396769.db2.gz CETIAYYZIFJHEG-CVEARBPZSA-N 1 0 372.469 2.106 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2ccc(N3CCOC3=O)cc2)CC1 ZINC000181880822 547397421 /nfs/dbraw/zinc/39/74/21/547397421.db2.gz QNWMNJMVCDUNDO-UHFFFAOYSA-N 1 0 372.469 2.483 20 30 FEEDRO C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@H](C)c1cccc(S(=O)(=O)NC)c1 ZINC000181938887 547409540 /nfs/dbraw/zinc/40/95/40/547409540.db2.gz MDPYIQRUIRGENF-CABCVRRESA-N 1 0 367.515 2.058 20 30 FEEDRO C[C@@H]([NH2+]C1CCN(S(=O)(=O)C2CC2)CC1)c1ccc(OCC#N)cc1 ZINC000182009818 547421719 /nfs/dbraw/zinc/42/17/19/547421719.db2.gz JMRXBJYEATXUMW-CQSZACIVSA-N 1 0 363.483 2.196 20 30 FEEDRO C[C@@H]([NH2+]C[C@@H](O)COc1ccc(C#N)cc1)c1ccc(-n2ccnn2)cc1 ZINC000182043253 547427141 /nfs/dbraw/zinc/42/71/41/547427141.db2.gz GCYGEUOGVWZWFZ-DNVCBOLYSA-N 1 0 363.421 2.229 20 30 FEEDRO CC[C@H]([NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1)[C@@H]1CCCO1 ZINC000182355533 547478649 /nfs/dbraw/zinc/47/86/49/547478649.db2.gz MOAGXIFEOUIKKY-IRXDYDNUSA-N 1 0 353.426 2.230 20 30 FEEDRO C[C@@H](C#N)CNC(=O)NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000182649423 547527932 /nfs/dbraw/zinc/52/79/32/547527932.db2.gz ALQBORHBSXYTQT-HNNXBMFYSA-N 1 0 363.893 2.311 20 30 FEEDRO COC[C@@H]([NH2+]CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)C1CC1 ZINC000183457352 547663813 /nfs/dbraw/zinc/66/38/13/547663813.db2.gz KHWXAFYUWZVTAA-MRXNPFEDSA-N 1 0 354.372 2.188 20 30 FEEDRO C=CCc1cc(C[NH2+]C[C@@](C)(O)C(=O)OC(C)(C)C)cc(OC)c1O ZINC000484754958 561305412 /nfs/dbraw/zinc/30/54/12/561305412.db2.gz SGCAEFSGZJSWDI-LJQANCHMSA-N 1 0 351.443 2.312 20 30 FEEDRO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N[C@H](C)CC[NH+]1CCN(C)CC1 ZINC000184328836 547807519 /nfs/dbraw/zinc/80/75/19/547807519.db2.gz NABUWOTYGRSEFG-YLJYHZDGSA-N 1 0 372.513 2.104 20 30 FEEDRO C=CCC[C@H](C)[NH2+]Cc1ccccc1S(=O)(=O)N1CCN(C)CC1 ZINC000185476468 547990019 /nfs/dbraw/zinc/99/00/19/547990019.db2.gz BNYNHAOWLAPNCM-INIZCTEOSA-N 1 0 351.516 2.067 20 30 FEEDRO C[C@H]1CN(C(=O)C2(c3cccc(C#N)c3)CC2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000485699973 561326148 /nfs/dbraw/zinc/32/61/48/561326148.db2.gz XYQZTDLKYKOHQU-FXAWDEMLSA-N 1 0 366.509 2.074 20 30 FEEDRO Cc1nc(C#N)c(N2CCN(C(=O)C[NH+]3CCC(C)(C(C)C)CC3)CC2)o1 ZINC000186202290 548098404 /nfs/dbraw/zinc/09/84/04/548098404.db2.gz KLGUFXZKRKECFO-UHFFFAOYSA-N 1 0 373.501 2.261 20 30 FEEDRO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1CCC(Cn2cncn2)CC1 ZINC000186256464 548107880 /nfs/dbraw/zinc/10/78/80/548107880.db2.gz JRUDOIZKWFCRRZ-GNZRSQJKSA-N 1 0 372.517 2.309 20 30 FEEDRO CN(CCC[NH+](C)C)C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000186699268 548176076 /nfs/dbraw/zinc/17/60/76/548176076.db2.gz KKRXACZKHBQBGF-UHFFFAOYSA-N 1 0 359.474 2.236 20 30 FEEDRO CCCNC(=O)C[C@@H](C(N)=O)N(CC#Cc1cccc(Cl)c1)CCC ZINC000186882781 548211496 /nfs/dbraw/zinc/21/14/96/548211496.db2.gz HSNXUWWOXXPZFX-KRWDZBQOSA-N 1 0 363.889 2.174 20 30 FEEDRO C#CCOc1ccccc1NC(=O)N1CCCC[C@@H]([NH+]2CCN(C)CC2)C1 ZINC000188074857 548270114 /nfs/dbraw/zinc/27/01/14/548270114.db2.gz HGPBETBSIIWMLK-GOSISDBHSA-N 1 0 370.497 2.332 20 30 FEEDRO C=CCOc1c(Br)cc(CN(CC)CC(N)=O)cc1OC ZINC000188059291 548270522 /nfs/dbraw/zinc/27/05/22/548270522.db2.gz YLYVMKSNMJWLSV-UHFFFAOYSA-N 1 0 357.248 2.330 20 30 FEEDRO CC(C)NC(=O)CCCC(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000486221915 561341429 /nfs/dbraw/zinc/34/14/29/561341429.db2.gz YCRQPUZITMANPD-UHFFFAOYSA-N 1 0 358.486 2.143 20 30 FEEDRO CCCN1CCC[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC1=O ZINC000189375094 548301817 /nfs/dbraw/zinc/30/18/17/548301817.db2.gz VXDCEAPCVLCRFC-UHFFFAOYSA-N 1 0 362.861 2.485 20 30 FEEDRO C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000189932166 548313470 /nfs/dbraw/zinc/31/34/70/548313470.db2.gz UFFLMZAOJBIFLS-MSOLQXFVSA-N 1 0 372.513 2.099 20 30 FEEDRO CCS(=O)(=O)CCCCCO/[NH+]=C/c1ccc(N2CCOCC2)cc1 ZINC000190613629 548330152 /nfs/dbraw/zinc/33/01/52/548330152.db2.gz FMJWYVRPVXHMTI-KNTRCKAVSA-N 1 0 368.499 2.479 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cnn(C3CCCC3)c2C)CC1 ZINC000193364509 548386202 /nfs/dbraw/zinc/38/62/02/548386202.db2.gz OGGSXPWSAGHBNC-UHFFFAOYSA-N 1 0 359.474 2.012 20 30 FEEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)c1 ZINC000193620199 548391423 /nfs/dbraw/zinc/39/14/23/548391423.db2.gz FWXADWNFXQNWBW-QRVBRYPASA-N 1 0 354.498 2.432 20 30 FEEDRO Cc1[nH]nc2ncc(C[NH2+][C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)cc12 ZINC000486868686 561358695 /nfs/dbraw/zinc/35/86/95/561358695.db2.gz NNCBHHYYCUDJSV-GOSISDBHSA-N 1 0 360.421 2.029 20 30 FEEDRO N#Cc1ccc(OCCC[NH+]2CCC(c3ccnn3CCO)CC2)cc1 ZINC000195509685 548653925 /nfs/dbraw/zinc/65/39/25/548653925.db2.gz DQPSKOTYGZSROT-UHFFFAOYSA-N 1 0 354.454 2.396 20 30 FEEDRO C=CCOc1ccc(C[NH2+][C@@H]2CCC(=O)N(C)[C@H]2c2ccnn2C)cc1 ZINC000487090036 561363438 /nfs/dbraw/zinc/36/34/38/561363438.db2.gz FAWCSJZCFQCUBX-YLJYHZDGSA-N 1 0 354.454 2.437 20 30 FEEDRO Cc1c(C#N)cccc1NC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000245647958 548965101 /nfs/dbraw/zinc/96/51/01/548965101.db2.gz MBHCXVFVUXNVNE-MOPGFXCFSA-N 1 0 362.433 2.367 20 30 FEEDRO CC(C)Oc1ccc(NC(=O)N2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)cc1C#N ZINC000246097392 549051490 /nfs/dbraw/zinc/05/14/90/549051490.db2.gz XKNKREISAIWNSQ-GJZGRUSLSA-N 1 0 360.458 2.264 20 30 FEEDRO CN(C(=O)C[N@@H+]1CC[C@H]2[C@@H](CCC(=O)N2C2CC2)C1)C1(C#N)CCCCC1 ZINC000246202626 549077332 /nfs/dbraw/zinc/07/73/32/549077332.db2.gz BFSUZXKSZBMKDY-WMZOPIPTSA-N 1 0 372.513 2.147 20 30 FEEDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)Nc2ccn(CCC#N)n2)[C@@H](C)C1 ZINC000246820978 549221082 /nfs/dbraw/zinc/22/10/82/549221082.db2.gz XEONCBTXNDPEIC-JKSUJKDBSA-N 1 0 362.478 2.055 20 30 FEEDRO C[N@@H+]1CCC[C@H]2CN(S(=O)(=O)c3ccc(Cl)c(C#N)c3)CC[C@H]21 ZINC000247136489 549289258 /nfs/dbraw/zinc/28/92/58/549289258.db2.gz RYXCEFQYGVUDKL-BLLLJJGKSA-N 1 0 353.875 2.316 20 30 FEEDRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)Nc2cc(C#N)ccc2C)CC1=O ZINC000247190873 549296900 /nfs/dbraw/zinc/29/69/00/549296900.db2.gz ODZQYNWAKVILQX-DLBZAZTESA-N 1 0 354.454 2.138 20 30 FEEDRO Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N3CC[N@H+](C)[C@@H](C(C)C)C3)C2)n1 ZINC000489401795 561410038 /nfs/dbraw/zinc/41/00/38/561410038.db2.gz YCVXBIFRAUWVHX-RTBURBONSA-N 1 0 369.513 2.277 20 30 FEEDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)Nc1cccc(C#N)c1 ZINC000248728352 549491466 /nfs/dbraw/zinc/49/14/66/549491466.db2.gz CZGFQAHPRNWXCP-HNAYVOBHSA-N 1 0 362.433 2.133 20 30 FEEDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NS(=O)(=O)c1ccccc1C#N ZINC000248794353 549503186 /nfs/dbraw/zinc/50/31/86/549503186.db2.gz JCGOZZXGFBFPEN-MAUKXSAKSA-N 1 0 355.463 2.357 20 30 FEEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccccc2O[C@@H](C)C#N)[C@@H](C)C1 ZINC000249145281 549560081 /nfs/dbraw/zinc/56/00/81/549560081.db2.gz GETBNAQNIWWEIX-ZOBUZTSGSA-N 1 0 372.469 2.105 20 30 FEEDRO CN(C[C@H](O)c1ccc(C#N)cc1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000249563134 549605616 /nfs/dbraw/zinc/60/56/16/549605616.db2.gz MFVQDTXUNCIRBN-VXKWHMMOSA-N 1 0 365.477 2.160 20 30 FEEDRO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCC[C@@H](C(=O)Nc2cccc(C)n2)C1 ZINC000249683999 549615172 /nfs/dbraw/zinc/61/51/72/549615172.db2.gz JMGVCGLHYTWRKS-NVXWUHKLSA-N 1 0 371.485 2.049 20 30 FEEDRO C[N@@H+]1CCN(C[C@H](O)COc2ccc(C#N)cc2)[C@@H](c2ccccc2)C1 ZINC000249813921 549630187 /nfs/dbraw/zinc/63/01/87/549630187.db2.gz JQCOBZZZVHTLHV-PZJWPPBQSA-N 1 0 351.450 2.287 20 30 FEEDRO CCOc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000253358711 549683705 /nfs/dbraw/zinc/68/37/05/549683705.db2.gz RCMSJRODERWVFN-CABCVRRESA-N 1 0 372.469 2.132 20 30 FEEDRO C[NH+]=C(NCc1nnc(C)n1C)N1CC[C@@H](CSc2ccccc2)C1 ZINC000262007605 549779840 /nfs/dbraw/zinc/77/98/40/549779840.db2.gz VYCXVERCZIKLQA-OAHLLOKOSA-N 1 0 358.515 2.313 20 30 FEEDRO C[NH+]=C(NCc1cn2ccccc2n1)N1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000262026498 549781390 /nfs/dbraw/zinc/78/13/90/549781390.db2.gz ZUNYXVCSLMMNFR-DOTOQJQBSA-N 1 0 351.458 2.189 20 30 FEEDRO C=CCN(CCc1ccco1)C(=O)[C@@H]1CC(=O)N(C[C@@H]2CCC[N@H+]2CC)C1 ZINC000490245535 561429498 /nfs/dbraw/zinc/42/94/98/561429498.db2.gz LPJGFJGDGHAMSU-MSOLQXFVSA-N 1 0 373.497 2.170 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccc(C)c(N3CCNC3=O)c2)CC1 ZINC000490337805 561431266 /nfs/dbraw/zinc/43/12/66/561431266.db2.gz VZRIRFYWKDPAOF-UHFFFAOYSA-N 1 0 357.458 2.297 20 30 FEEDRO C[NH+]=C(NC[C@H](c1ccco1)N1CCCC1)N[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000262467605 549822408 /nfs/dbraw/zinc/82/24/08/549822408.db2.gz TXVKRZZZLZUAAM-AHCXZYCDSA-N 1 0 360.502 2.395 20 30 FEEDRO Cc1nnc2n1C[C@@H](CNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1)CC2 ZINC000262522918 549826282 /nfs/dbraw/zinc/82/62/82/549826282.db2.gz JJBMCRQGIDATQY-LLVKDONJSA-N 1 0 368.363 2.474 20 30 FEEDRO C[C@H](NC(=[NH2+])NCCn1cnc(C#N)n1)c1ccc(Cl)cc1Cl ZINC000262681289 549838346 /nfs/dbraw/zinc/83/83/46/549838346.db2.gz WHXZDLOKTADQOD-VIFPVBQESA-N 1 0 352.229 2.122 20 30 FEEDRO [NH2+]=C(NCc1cn2ccccc2n1)N1CCN(c2ccc(F)cc2)CC1 ZINC000263253845 549889668 /nfs/dbraw/zinc/88/96/68/549889668.db2.gz PVQYKVKNOZNLBG-UHFFFAOYSA-N 1 0 352.417 2.110 20 30 FEEDRO C=CCNC(NCc1cc(Br)c2c(c1)OCCO2)=[NH+]CC ZINC000263269550 549890900 /nfs/dbraw/zinc/89/09/00/549890900.db2.gz WKXDTAFOEURTEW-UHFFFAOYSA-N 1 0 354.248 2.461 20 30 FEEDRO C[C@@H](C#N)CN(C)C(=O)N[C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000263647839 549912415 /nfs/dbraw/zinc/91/24/15/549912415.db2.gz CDLSQNNRDYMTMV-GJZGRUSLSA-N 1 0 361.465 2.440 20 30 FEEDRO N#Cc1ccccc1N1CCN(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000263676436 549917737 /nfs/dbraw/zinc/91/77/37/549917737.db2.gz IAUSFWWHTUQINP-IEBWSBKVSA-N 1 0 353.470 2.017 20 30 FEEDRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)CNC(=O)c1ccc(C#N)cc1 ZINC000263775077 549935155 /nfs/dbraw/zinc/93/51/55/549935155.db2.gz KRMGPNFUDLHSAL-MRXNPFEDSA-N 1 0 356.470 2.059 20 30 FEEDRO C[NH+]=C(NCc1ccco1)NC[C@H](c1ccc(OC)cc1)N1CCOCC1 ZINC000264024332 549969735 /nfs/dbraw/zinc/96/97/35/549969735.db2.gz ANXISJGJYBEWTK-LJQANCHMSA-N 1 0 372.469 2.027 20 30 FEEDRO COc1ccc(CNC(=[NH2+])NCc2ccc(OC(C)C)nc2)cc1OC ZINC000264066319 549974918 /nfs/dbraw/zinc/97/49/18/549974918.db2.gz BIHRQLNRCZUWHZ-UHFFFAOYSA-N 1 0 358.442 2.491 20 30 FEEDRO CCOC(=O)N1CCC(NC(=[NH2+])NC[C@@H](C)c2ccc(F)cc2)CC1 ZINC000264100179 549979104 /nfs/dbraw/zinc/97/91/04/549979104.db2.gz NWQAZMRICPEJJH-CYBMUJFWSA-N 1 0 350.438 2.454 20 30 FEEDRO Cc1cc(C)cc(NC(=[NH2+])NCc2ccccc2S(=O)(=O)N(C)C)c1 ZINC000264107595 549980112 /nfs/dbraw/zinc/98/01/12/549980112.db2.gz OEWRTGHUUWGLEX-UHFFFAOYSA-N 1 0 360.483 2.481 20 30 FEEDRO COc1ccc(CNC(=[NH2+])NCc2nc3ccccc3n2C)cc1OC ZINC000264144766 549984303 /nfs/dbraw/zinc/98/43/03/549984303.db2.gz XPDGYBRGXRGWGW-UHFFFAOYSA-N 1 0 353.426 2.195 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N2CCc3cc(OC)c(OC)cc3C2)CC1 ZINC000264322542 549994654 /nfs/dbraw/zinc/99/46/54/549994654.db2.gz ARMASIXJPDMRSM-UHFFFAOYSA-N 1 0 359.470 2.422 20 30 FEEDRO C=CC[NH+]1CCC(Nc2ncnc3c2c(Br)nn3C)CC1 ZINC000264494216 549996420 /nfs/dbraw/zinc/99/64/20/549996420.db2.gz WVXKWAWBCXYRBI-UHFFFAOYSA-N 1 0 351.252 2.188 20 30 FEEDRO C=C(C)COc1cc(C[NH2+]CCCN2CCC[C@H]2C(N)=O)ccc1OC ZINC000264558344 549998056 /nfs/dbraw/zinc/99/80/56/549998056.db2.gz FAZXLXJJIQOLOC-KRWDZBQOSA-N 1 0 361.486 2.080 20 30 FEEDRO C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N(CCC#N)CCC[NH+](C)C ZINC000265071608 550005750 /nfs/dbraw/zinc/00/57/50/550005750.db2.gz VQXCKAMONLBBOZ-CQSZACIVSA-N 1 0 364.877 2.152 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)CC1 ZINC000265134336 550006852 /nfs/dbraw/zinc/00/68/52/550006852.db2.gz LKEZJMVSTNZSFI-FQEVSTJZSA-N 1 0 367.497 2.056 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)NC[C@H](O)c2c(F)cccc2Cl)CC1 ZINC000265944120 550015674 /nfs/dbraw/zinc/01/56/74/550015674.db2.gz HUBLQEFJYUILBD-HNNXBMFYSA-N 1 0 355.841 2.462 20 30 FEEDRO COc1cc(CNC(=O)N2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@H](C)C2)ccc1C#N ZINC000491124760 561443235 /nfs/dbraw/zinc/44/32/35/561443235.db2.gz WBTMEYBHUAWJOC-HDMKZQKVSA-N 1 0 356.470 2.439 20 30 FEEDRO CCc1nc(CN(C(C)=O)[C@@H]2CC[N@H+](Cc3ccc(C#N)cc3)C2)no1 ZINC000266087619 550016705 /nfs/dbraw/zinc/01/67/05/550016705.db2.gz HMNHVLQMEQXBPB-QGZVFWFLSA-N 1 0 353.426 2.127 20 30 FEEDRO C#CCOc1cc(F)ccc1NC(=O)NCCCC[N@H+]1CCC[C@H]1CO ZINC000266369472 550019755 /nfs/dbraw/zinc/01/97/55/550019755.db2.gz FXHLJXBUPUOMLM-INIZCTEOSA-N 1 0 363.433 2.196 20 30 FEEDRO C[C@@H](NC(=O)CON=C(N)c1ccc(C[NH+](C)C)cc1)c1ccccc1 ZINC000266991182 550026679 /nfs/dbraw/zinc/02/66/79/550026679.db2.gz BAOUXUCRQVBCQV-OAHLLOKOSA-N 1 0 354.454 2.263 20 30 FEEDRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)Nc2ccc(C#N)cc2Cl)C1 ZINC000491411707 561445255 /nfs/dbraw/zinc/44/52/55/561445255.db2.gz ABTSDMHCVHISCN-OAHLLOKOSA-N 1 0 374.872 2.340 20 30 FEEDRO C=CCCS(=O)(=O)NCC1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000268884800 550127579 /nfs/dbraw/zinc/12/75/79/550127579.db2.gz SGMZFCHYJLJNBU-UHFFFAOYSA-N 1 0 352.500 2.403 20 30 FEEDRO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)NCC(C)(C)CCC#N)c1 ZINC000492709449 561452435 /nfs/dbraw/zinc/45/24/35/561452435.db2.gz YLRFHIWKAHHDIW-UHFFFAOYSA-N 1 0 373.501 2.107 20 30 FEEDRO C#CCN(Cc1ccc(F)cc1)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000269245694 550171712 /nfs/dbraw/zinc/17/17/12/550171712.db2.gz IKCCTSAJQNQAFE-UXHICEINSA-N 1 0 373.472 2.348 20 30 FEEDRO COc1ccc(CCNC(=[NH2+])N[C@@H]2[C@H]3CCO[C@H]3C23CCC3)cc1OC ZINC000269918295 550236412 /nfs/dbraw/zinc/23/64/12/550236412.db2.gz LYIYJHBSKSZLOM-ZTFGCOKTSA-N 1 0 359.470 2.108 20 30 FEEDRO COCCn1cc(C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)cn1 ZINC000271181371 550349701 /nfs/dbraw/zinc/34/97/01/550349701.db2.gz OXCGOTIZGXIQFE-UHFFFAOYSA-N 1 0 367.453 2.252 20 30 FEEDRO CS(=O)(=O)N1CCC[C@@H]1C[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000271542638 550383898 /nfs/dbraw/zinc/38/38/98/550383898.db2.gz SXNHBPKCYCDTCQ-JLAWEPINSA-N 1 0 361.511 2.404 20 30 FEEDRO C=C(C)CN(CC)C(=O)C[NH2+][C@@H]1CC(=O)N(C)[C@H]1c1ccc(F)c(F)c1 ZINC000494245359 561465548 /nfs/dbraw/zinc/46/55/48/561465548.db2.gz QKPDRBCLUJVGGX-APWZRJJASA-N 1 0 365.424 2.251 20 30 FEEDRO C[C@@H]([NH2+]C[C@@](O)(c1nccn1C)C(F)(F)F)c1ccc(OCC#N)cc1 ZINC000272144846 550425274 /nfs/dbraw/zinc/42/52/74/550425274.db2.gz UCHAALCRNWGCOR-MLGOLLRUSA-N 1 0 368.359 2.423 20 30 FEEDRO C[N@@H+]1CC[C@@H]2CCN(S(=O)(=O)c3ccc(C#N)c(C(F)(F)F)c3)[C@H]2C1 ZINC000272278348 550434037 /nfs/dbraw/zinc/43/40/37/550434037.db2.gz DGFPOWHULQIBTR-ABAIWWIYSA-N 1 0 373.400 2.292 20 30 FEEDRO C=CCN(CC=C)C(=O)C[N@H+]1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000272594682 550459978 /nfs/dbraw/zinc/45/99/78/550459978.db2.gz XRHVOKUKSFLCKA-JKSUJKDBSA-N 1 0 351.491 2.422 20 30 FEEDRO Cc1ccc(NC(=O)C(=O)N2CCC(C)(C#N)CC2)c(OCC[NH+](C)C)c1 ZINC000272654528 550463366 /nfs/dbraw/zinc/46/33/66/550463366.db2.gz HNXJPADSXMLGRJ-UHFFFAOYSA-N 1 0 372.469 2.026 20 30 FEEDRO N#Cc1ccnc(NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)c1[N+](=O)[O-] ZINC000273185062 550488771 /nfs/dbraw/zinc/48/87/71/550488771.db2.gz MEMSQHZUKHYHNM-MRXNPFEDSA-N 1 0 353.382 2.040 20 30 FEEDRO CS[C@@H]1CN(CC(=O)Nc2oc(C)c(C)c2C#N)C[C@H]1[NH+]1CCCC1 ZINC000274147439 550524971 /nfs/dbraw/zinc/52/49/71/550524971.db2.gz XWVHLENJDBHVTD-HZPDHXFCSA-N 1 0 362.499 2.218 20 30 FEEDRO N#CCOc1cccc(NC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCCC2)c1 ZINC000275697133 550573785 /nfs/dbraw/zinc/57/37/85/550573785.db2.gz KAUYSKAKZGEGEH-KRWDZBQOSA-N 1 0 370.453 2.004 20 30 FEEDRO C[C@@H](NS(=O)(=O)c1cccnc1C#N)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000277006720 550621154 /nfs/dbraw/zinc/62/11/54/550621154.db2.gz INFYJVBFTMDBBO-NVXWUHKLSA-N 1 0 370.478 2.142 20 30 FEEDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(S(=O)(=O)c2cccnc2C#N)C1 ZINC000277010387 550621685 /nfs/dbraw/zinc/62/16/85/550621685.db2.gz LIVGTSLTGYIPBS-HZPDHXFCSA-N 1 0 362.499 2.228 20 30 FEEDRO C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000277626616 550693845 /nfs/dbraw/zinc/69/38/45/550693845.db2.gz ZMZBRHAGNHPFAL-ZBFHGGJFSA-N 1 0 370.453 2.049 20 30 FEEDRO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](C[C@@H](O)COc1ccccc1)C(C)C ZINC000277716377 550705642 /nfs/dbraw/zinc/70/56/42/550705642.db2.gz FQBWXVLFBCVGGO-ZWKOTPCHSA-N 1 0 361.486 2.145 20 30 FEEDRO CCOC(=O)c1n[nH]c(C2CC[NH+](Cc3ccc(OCC#N)cc3)CC2)n1 ZINC000277843213 550720614 /nfs/dbraw/zinc/72/06/14/550720614.db2.gz SGTYAKGUPNIMRD-UHFFFAOYSA-N 1 0 369.425 2.263 20 30 FEEDRO N#Cc1cccc(NC(=O)C2CCN(C(=O)[C@H]3CCC[N@@H+]3C3CC3)CC2)c1 ZINC000278398553 550781384 /nfs/dbraw/zinc/78/13/84/550781384.db2.gz BIDSUHAPKZJYCF-LJQANCHMSA-N 1 0 366.465 2.362 20 30 FEEDRO C=CCn1c(=O)[nH]nc1SC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000278686037 550811327 /nfs/dbraw/zinc/81/13/27/550811327.db2.gz ZANPWBRILQPUHJ-MRXNPFEDSA-N 1 0 360.483 2.141 20 30 FEEDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1CC(=O)N(CCC#N)c1ccccc1 ZINC000278721364 550814747 /nfs/dbraw/zinc/81/47/47/550814747.db2.gz RUCLRTNBTYAKSY-SFHVURJKSA-N 1 0 370.497 2.118 20 30 FEEDRO CN(CC[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)CC(F)(F)F ZINC000278740407 550816684 /nfs/dbraw/zinc/81/66/84/550816684.db2.gz VKHFWOAOYDUUIO-UHFFFAOYSA-N 1 0 366.391 2.442 20 30 FEEDRO C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC000278918088 550835780 /nfs/dbraw/zinc/83/57/80/550835780.db2.gz UNZKSNJBJPLWRZ-HOTGVXAUSA-N 1 0 357.454 2.037 20 30 FEEDRO C[C@H]1C[C@@H](C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)CC[N@@H+]1C ZINC000279165016 550860574 /nfs/dbraw/zinc/86/05/74/550860574.db2.gz IOASQBVXXPATJE-PXNSSMCTSA-N 1 0 354.498 2.323 20 30 FEEDRO C#CCn1ccc(CN(CC)C(=O)N[C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)n1 ZINC000279422965 550888800 /nfs/dbraw/zinc/88/88/00/550888800.db2.gz ISJQLLGPMMOJTB-KZNAEPCWSA-N 1 0 359.518 2.414 20 30 FEEDRO N#CCCn1cc(CN2CC[NH+](CC3CC3)CC2)c(-c2ccncc2)n1 ZINC000279430742 550889214 /nfs/dbraw/zinc/88/92/14/550889214.db2.gz QGNMRLCHHBPLJG-UHFFFAOYSA-N 1 0 350.470 2.386 20 30 FEEDRO CS[C@@H]1CN(C(=O)[C@H](C#N)Cc2ccc(C#N)cc2)C[C@H]1[NH+]1CCCC1 ZINC000280208227 550971590 /nfs/dbraw/zinc/97/15/90/550971590.db2.gz FTNMYUVZUKCVKT-IPMKNSEASA-N 1 0 368.506 2.279 20 30 FEEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(n2c(C)nc3ccccc32)CC1 ZINC000280242237 550973964 /nfs/dbraw/zinc/97/39/64/550973964.db2.gz NMZDZJUPJNJKPH-AWEZNQCLSA-N 1 0 369.469 2.382 20 30 FEEDRO Cc1oc(C#N)cc1C(=O)N1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000280680349 551020797 /nfs/dbraw/zinc/02/07/97/551020797.db2.gz QQSIFFKONHVBGP-UHFFFAOYSA-N 1 0 366.465 2.350 20 30 FEEDRO Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N(C)CCC[NH+]1CCCC1 ZINC000281783934 551142896 /nfs/dbraw/zinc/14/28/96/551142896.db2.gz RUSBECCIIMRRTF-UHFFFAOYSA-N 1 0 368.485 2.095 20 30 FEEDRO C=CCOc1ccc(C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)cc1OC ZINC000281892599 551154042 /nfs/dbraw/zinc/15/40/42/551154042.db2.gz YIOZVPZESMBNJE-UHFFFAOYSA-N 1 0 361.486 2.016 20 30 FEEDRO C=CCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000282141827 551186228 /nfs/dbraw/zinc/18/62/28/551186228.db2.gz BMHXBHKAIOHTGV-SFHVURJKSA-N 1 0 369.517 2.390 20 30 FEEDRO C=CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CC[NH+](C2CC2)CC1 ZINC000282235024 551199110 /nfs/dbraw/zinc/19/91/10/551199110.db2.gz JRTDPVLHGXFYDM-UHFFFAOYSA-N 1 0 354.414 2.324 20 30 FEEDRO Cc1ccc([C@H](CNS(=O)(=O)N(C)C[C@@H](C)C#N)[NH+]2CCCC2)cc1 ZINC000282639059 551254966 /nfs/dbraw/zinc/25/49/66/551254966.db2.gz LEOQNSQLMXDMGZ-WMZOPIPTSA-N 1 0 364.515 2.058 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)[C@@](N)(c2cccc(F)c2)C(F)(F)F)CC1 ZINC000497483554 561501639 /nfs/dbraw/zinc/50/16/39/561501639.db2.gz RXSUZSDHYPDRSJ-INIZCTEOSA-N 1 0 359.367 2.309 20 30 FEEDRO Cc1ccc([C@@H](CNS(=O)(=O)N(C)[C@@H](C)CC#N)[NH+]2CCCC2)cc1 ZINC000282964168 551290607 /nfs/dbraw/zinc/29/06/07/551290607.db2.gz KTLUUWGGUCAGMD-FUHWJXTLSA-N 1 0 364.515 2.200 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCc2c(F)cccc2Cl)CC1 ZINC000283594687 551393575 /nfs/dbraw/zinc/39/35/75/551393575.db2.gz SJYJKAYTJKIMBC-UHFFFAOYSA-N 1 0 367.852 2.252 20 30 FEEDRO Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC000283616898 551397517 /nfs/dbraw/zinc/39/75/17/551397517.db2.gz VVVJUTGOWXKOCC-UHFFFAOYSA-N 1 0 366.469 2.330 20 30 FEEDRO C[C@@H]1C[N@@H+](CC2CCN(c3cc(N)c([N+](=O)[O-])c(C#N)c3)CC2)C[C@H](C)O1 ZINC000283722914 551416177 /nfs/dbraw/zinc/41/61/77/551416177.db2.gz GNYSSJXQDYZIPI-OKILXGFUSA-N 1 0 373.457 2.374 20 30 FEEDRO C=C(C)CN(Cc1ccccc1)C(=O)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000283892354 551445236 /nfs/dbraw/zinc/44/52/36/551445236.db2.gz IJCSJPOELZQERV-UHFFFAOYSA-N 1 0 355.482 2.334 20 30 FEEDRO C[N@@H+]1CCCC[C@H]1CCC(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 ZINC000498017869 561513858 /nfs/dbraw/zinc/51/38/58/561513858.db2.gz JMISGONPVKWFDR-VQTJNVASSA-N 1 0 354.498 2.487 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N[C@H](CC)c1ccncc1)C(C)C ZINC000284179636 551499305 /nfs/dbraw/zinc/49/93/05/551499305.db2.gz UWRGCDZORKJKFW-MOPGFXCFSA-N 1 0 372.513 2.464 20 30 FEEDRO C[C@H]([NH2+][C@@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1)C(=O)N(C)CCC#N ZINC000284288646 551515866 /nfs/dbraw/zinc/51/58/66/551515866.db2.gz NTUSEFOYVFMSCK-VUCTXSBTSA-N 1 0 350.413 2.060 20 30 FEEDRO CCNC(=O)C[C@@H]1CCCC[N@@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000284346769 551529334 /nfs/dbraw/zinc/52/93/34/551529334.db2.gz COTGUONUWHBOJY-INIZCTEOSA-N 1 0 353.426 2.489 20 30 FEEDRO C=CCCN(C)C(=O)C(=O)NC[C@H](c1cccc(OC)c1)[NH+](CC)CC ZINC000284353110 551530952 /nfs/dbraw/zinc/53/09/52/551530952.db2.gz OCFCFMCHZXBGRX-GOSISDBHSA-N 1 0 361.486 2.229 20 30 FEEDRO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@@H]1[C@H]1COCC[C@]1(C)O ZINC000284827202 551644614 /nfs/dbraw/zinc/64/46/14/551644614.db2.gz OQTNBZVSGNXJPH-ODZKNYGOSA-N 1 0 357.454 2.137 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H](C)COc2cccc(C)c2)CC1 ZINC000284900341 551662451 /nfs/dbraw/zinc/66/24/51/551662451.db2.gz DIROPQNVISKEAC-QGZVFWFLSA-N 1 0 373.497 2.035 20 30 FEEDRO C=CCN(CC=C)C(=O)C(=O)NCc1ccccc1OCC[NH+](CC)CC ZINC000285108930 551705925 /nfs/dbraw/zinc/70/59/25/551705925.db2.gz VTYQEVFZHWVEBP-UHFFFAOYSA-N 1 0 373.497 2.224 20 30 FEEDRO C[C@H]1CC[N@H+](C)CCN1C(=O)CCC(=O)N(CCC#N)c1ccccc1 ZINC000498711978 561532528 /nfs/dbraw/zinc/53/25/28/561532528.db2.gz WBPOEVGUHAAYQI-KRWDZBQOSA-N 1 0 356.470 2.266 20 30 FEEDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H](O)COc1ccc(C#N)cc1 ZINC000285361329 551743944 /nfs/dbraw/zinc/74/39/44/551743944.db2.gz QHTZIIMBMQBKSD-QGZVFWFLSA-N 1 0 355.394 2.381 20 30 FEEDRO CC(C)(C)OC(=O)N1CCc2cccc(C[NH2+]CCn3cnc(C#N)n3)c21 ZINC000285365452 551744288 /nfs/dbraw/zinc/74/42/88/551744288.db2.gz BUOTZSPPRIZUNH-UHFFFAOYSA-N 1 0 368.441 2.237 20 30 FEEDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000285381331 551746867 /nfs/dbraw/zinc/74/68/67/551746867.db2.gz RRVNOPPWSFJFAA-DGCLKSJQSA-N 1 0 355.410 2.084 20 30 FEEDRO C=CCN(CCc1ccccc1)C(=O)C(=O)NCCC1CC[NH+](C)CC1 ZINC000285559057 551774701 /nfs/dbraw/zinc/77/47/01/551774701.db2.gz BCBHDEXDJTZYAK-UHFFFAOYSA-N 1 0 357.498 2.092 20 30 FEEDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)C1 ZINC000286034694 551841195 /nfs/dbraw/zinc/84/11/95/551841195.db2.gz BGLRHMWJEVCXPB-JENIJYKNSA-N 1 0 370.472 2.466 20 30 FEEDRO N#CCC[C@H](C#N)CN1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000286072024 551845504 /nfs/dbraw/zinc/84/55/04/551845504.db2.gz RXWFGYUZKQCYPQ-RTWAWAEBSA-N 1 0 351.498 2.322 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H](C)C(C)(C)c2ccccc2)CC1 ZINC000286156962 551855233 /nfs/dbraw/zinc/85/52/33/551855233.db2.gz AXFFLUPONONVCH-MRXNPFEDSA-N 1 0 357.498 2.236 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H](c3ccccc3C)C2)CC1 ZINC000286351502 551877366 /nfs/dbraw/zinc/87/73/66/551877366.db2.gz BMLJKBPTVZNDKZ-GOSISDBHSA-N 1 0 369.509 2.468 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC(C)(C)c3ccccc32)CC1 ZINC000286492156 551892173 /nfs/dbraw/zinc/89/21/73/551892173.db2.gz JVNVMSLSZFIJNA-SFHVURJKSA-N 1 0 355.482 2.292 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@](C)(c3ccccc3)C2)CC1 ZINC000286492294 551892371 /nfs/dbraw/zinc/89/23/71/551892371.db2.gz JXVKVPXPJNWVGX-QFIPXVFZSA-N 1 0 369.509 2.333 20 30 FEEDRO CN1CC[NH+](CC2CCN(C(=O)c3cc(C#N)ccc3Cl)CC2)CC1 ZINC000286570887 551901190 /nfs/dbraw/zinc/90/11/90/551901190.db2.gz PQMHKCMLPIODHR-UHFFFAOYSA-N 1 0 360.889 2.311 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2c3ccccc3CC[C@@H]2C)CC1 ZINC000286614047 551906278 /nfs/dbraw/zinc/90/62/78/551906278.db2.gz LMCMXRNHFCGUOJ-HNAYVOBHSA-N 1 0 355.482 2.193 20 30 FEEDRO CC[C@H](C#N)NC(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1c1cnn(C)c1 ZINC000286659729 551911688 /nfs/dbraw/zinc/91/16/88/551911688.db2.gz FWXBFWNOWVCZTN-QRVBRYPASA-N 1 0 351.454 2.054 20 30 FEEDRO CCCN(CC[NH+]1CCCC1)C(=O)C1CCN(c2oc(C)nc2C#N)CC1 ZINC000287148861 551969515 /nfs/dbraw/zinc/96/95/15/551969515.db2.gz GDWJTASKHKZGKQ-UHFFFAOYSA-N 1 0 373.501 2.406 20 30 FEEDRO Cc1nc(C#N)c(N2CCC(C(=O)N3CC[C@@H]([NH+]4CCCC4)[C@@H]3C)CC2)o1 ZINC000287176443 551973226 /nfs/dbraw/zinc/97/32/26/551973226.db2.gz OMGNPYUAZFLYQG-KBXCAEBGSA-N 1 0 371.485 2.156 20 30 FEEDRO C[N@@H+]1CCCC[C@H]1CN1CCN(c2nc3cc(Cl)ccn3c2C#N)CC1 ZINC000287211351 551976679 /nfs/dbraw/zinc/97/66/79/551976679.db2.gz IKHOEDZESQVXJM-INIZCTEOSA-N 1 0 372.904 2.466 20 30 FEEDRO CC(C)N(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000287286174 551985395 /nfs/dbraw/zinc/98/53/95/551985395.db2.gz UJRXEXGQVSGZNT-RTBURBONSA-N 1 0 370.497 2.284 20 30 FEEDRO COc1cc(OC)c2ncc(C#N)c(NC[C@H](C)N3CC[NH+](C)CC3)c2c1 ZINC000287915375 552062558 /nfs/dbraw/zinc/06/25/58/552062558.db2.gz OQVOHZMWHPACOX-AWEZNQCLSA-N 1 0 369.469 2.171 20 30 FEEDRO Cc1cccc(NC(=O)C(=O)N[C@H](C[NH+](C)C)c2ccc(F)cc2)c1C#N ZINC000287935989 552065187 /nfs/dbraw/zinc/06/51/87/552065187.db2.gz SHWQRLRVISGKEV-GOSISDBHSA-N 1 0 368.412 2.363 20 30 FEEDRO COCC[NH+](CCOC)C1CCN(Cc2ccc(C#N)c(OC)c2)CC1 ZINC000289547838 552338592 /nfs/dbraw/zinc/33/85/92/552338592.db2.gz IJWGCKNJPAHFIW-UHFFFAOYSA-N 1 0 361.486 2.126 20 30 FEEDRO C=CCOc1ccc(C[NH2+][C@H]2CCC[C@H]2CNS(C)(=O)=O)cc1OC ZINC000500575265 561577259 /nfs/dbraw/zinc/57/72/59/561577259.db2.gz XXTHDMDSEPLKIU-HOTGVXAUSA-N 1 0 368.499 2.068 20 30 FEEDRO CC(C)(C)OC(=O)N1CCN([C@@H]2CC[N@H+](Cc3ccc(C#N)o3)C2)CC1 ZINC000289975731 552408210 /nfs/dbraw/zinc/40/82/10/552408210.db2.gz ZNUNGQNPLOAGPS-OAHLLOKOSA-N 1 0 360.458 2.278 20 30 FEEDRO COc1ccc([C@@H]([NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)C2CC2)cc1 ZINC000290078163 552424105 /nfs/dbraw/zinc/42/41/05/552424105.db2.gz WLMYVYACNZRBJA-IBGZPJMESA-N 1 0 371.462 2.476 20 30 FEEDRO C=CCn1c(-c2ccccn2)nnc1N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC000290091831 552425950 /nfs/dbraw/zinc/42/59/50/552425950.db2.gz DNLIERNCCCCJSX-MRXNPFEDSA-N 1 0 368.485 2.216 20 30 FEEDRO Cn1cc(CN2CCN([C@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)cc1C#N ZINC000290102717 552427722 /nfs/dbraw/zinc/42/77/22/552427722.db2.gz HSQUCXBSWDLJBC-KRWDZBQOSA-N 1 0 373.501 2.024 20 30 FEEDRO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccc(C#N)c(F)c1)C1CCCCC1 ZINC000290317557 552459411 /nfs/dbraw/zinc/45/94/11/552459411.db2.gz VEYCMGURXUURHV-QGZVFWFLSA-N 1 0 360.433 2.263 20 30 FEEDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)Nc1ccc(C#N)c(F)c1 ZINC000290323814 552460134 /nfs/dbraw/zinc/46/01/34/552460134.db2.gz VXPBJZFHNUWCED-HZSPNIEDSA-N 1 0 360.433 2.118 20 30 FEEDRO CCCC[N@H+](C)C[C@H](C)NC(=O)CCc1c(C)nc2c(C#N)cnn2c1C ZINC000290973570 552570821 /nfs/dbraw/zinc/57/08/21/552570821.db2.gz RBCGISZIYRBGEW-AWEZNQCLSA-N 1 0 370.501 2.387 20 30 FEEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCCNC2=O)cc1)C(=O)N(C)CCC#N ZINC000291195996 552598604 /nfs/dbraw/zinc/59/86/04/552598604.db2.gz JHRGFHDMWKUGRJ-LSDHHAIUSA-N 1 0 357.458 2.017 20 30 FEEDRO COc1cccc(NC(=O)CC[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)c1 ZINC000292241082 552708017 /nfs/dbraw/zinc/70/80/17/552708017.db2.gz QGBGCXPWJLBDDO-SFHVURJKSA-N 1 0 366.421 2.444 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)CC1 ZINC000292246949 552708541 /nfs/dbraw/zinc/70/85/41/552708541.db2.gz JYAGRJKSSBKRPD-SFHVURJKSA-N 1 0 369.469 2.156 20 30 FEEDRO C[C@H](CNC(=O)N1CCN(c2cc(C#N)ccn2)CC1)[N@@H+]1CCCC[C@H]1C ZINC000501528072 561599750 /nfs/dbraw/zinc/59/97/50/561599750.db2.gz BFERFHSAGXVXBT-IAGOWNOFSA-N 1 0 370.501 2.048 20 30 FEEDRO C=CCC(C)(C)CNC(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000293193919 552797669 /nfs/dbraw/zinc/79/76/69/552797669.db2.gz UJOVYAFPDHUCGK-UHFFFAOYSA-N 1 0 360.502 2.380 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cccc(C(F)(F)F)c1C ZINC000293270026 552805358 /nfs/dbraw/zinc/80/53/58/552805358.db2.gz FOGFPIPYZMLMBB-UHFFFAOYSA-N 1 0 355.360 2.024 20 30 FEEDRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)C(=O)Nc3ccc(Cl)c(C#N)c3)C2)C1 ZINC000293291821 552807913 /nfs/dbraw/zinc/80/79/13/552807913.db2.gz IBILGOCEFOWVIC-GOSISDBHSA-N 1 0 360.845 2.094 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(-c2nc(C)cs2)cc1 ZINC000293304839 552809540 /nfs/dbraw/zinc/80/95/40/552809540.db2.gz HSFLGGXTDYNKPL-UHFFFAOYSA-N 1 0 370.478 2.128 20 30 FEEDRO C#CCNC(=O)CC[NH+]1CCC(C(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC000293830316 552860181 /nfs/dbraw/zinc/86/01/81/552860181.db2.gz PSWCLVSJLYIONG-UHFFFAOYSA-N 1 0 365.836 2.269 20 30 FEEDRO Cc1nc(C#N)c(N2CCC(C(=O)N3CC[C@]4(C3)CCC[N@@H+](C)C4)CC2)o1 ZINC000293832679 552860426 /nfs/dbraw/zinc/86/04/26/552860426.db2.gz BYZOHGOSJQXJGF-HXUWFJFHSA-N 1 0 371.485 2.015 20 30 FEEDRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)C(C)(C)c3cc(F)cc(C#N)c3)[C@H]2C1 ZINC000293934636 552869330 /nfs/dbraw/zinc/86/93/30/552869330.db2.gz QAOOAHBNSZGYCS-ZWKOTPCHSA-N 1 0 359.445 2.297 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)CCc1nc2sc(C)c(C)c2c(=O)[nH]1 ZINC000293985966 552872880 /nfs/dbraw/zinc/87/28/80/552872880.db2.gz NIYABSDOXJEIFM-UHFFFAOYSA-N 1 0 360.483 2.018 20 30 FEEDRO C[C@@H]1CN(C(=O)C2CCN(c3ccc(C#N)cc3F)CC2)C[C@H](C)[N@H+]1C ZINC000294077744 552880201 /nfs/dbraw/zinc/88/02/01/552880201.db2.gz WJQVEEDBYKQLQF-GASCZTMLSA-N 1 0 358.461 2.465 20 30 FEEDRO CO[C@]1(C)C[C@H]([NH2+]CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1(C)C ZINC000295093522 552958202 /nfs/dbraw/zinc/95/82/02/552958202.db2.gz AHHNWQDMPUXIBY-OXJNMPFZSA-N 1 0 367.453 2.476 20 30 FEEDRO N#Cc1cnc(NCc2ccccc2C[N@H+]2CC[C@H](O)C2)c([N+](=O)[O-])c1 ZINC000295105941 552959440 /nfs/dbraw/zinc/95/94/40/552959440.db2.gz USJUCGHDMLZWTJ-INIZCTEOSA-N 1 0 353.382 2.040 20 30 FEEDRO COc1ccc(C[N@H+](C)[C@@H]2CCN3CCO[C@H]2C3)cc1OCCCC#N ZINC000295115680 552960468 /nfs/dbraw/zinc/96/04/68/552960468.db2.gz MLGJWCYUYPAGPW-XLIONFOSSA-N 1 0 359.470 2.283 20 30 FEEDRO CS[C@H]1CN(C(=O)c2ccc(Br)cc2C#N)C[C@@H]1[NH+](C)C ZINC000295131608 552961705 /nfs/dbraw/zinc/96/17/05/552961705.db2.gz YDRZEVYVKISUQP-KBPBESRZSA-N 1 0 368.300 2.438 20 30 FEEDRO CCO[C@H]1C[C@@H]([NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)C12CCCC2 ZINC000295158799 552964850 /nfs/dbraw/zinc/96/48/50/552964850.db2.gz GJGUQQNRVNXESX-CVEARBPZSA-N 1 0 363.483 2.054 20 30 FEEDRO C[C@H]1C[C@H](C(F)(F)F)CCN1CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000295228367 552972522 /nfs/dbraw/zinc/97/25/22/552972522.db2.gz YTFIIJAETLPHKG-WCQYABFASA-N 1 0 361.389 2.390 20 30 FEEDRO C[N@H+](CC#Cc1ccc(OC(F)(F)F)cc1)[C@@H]1CCN2CCO[C@H]1C2 ZINC000295342586 552990677 /nfs/dbraw/zinc/99/06/77/552990677.db2.gz ICHNVQKTZWOSDT-SJORKVTESA-N 1 0 354.372 2.342 20 30 FEEDRO CCN(CC)C(=O)[C@@H](C)[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000502155636 561612988 /nfs/dbraw/zinc/61/29/88/561612988.db2.gz JGIYHDPENLHHQR-OAHLLOKOSA-N 1 0 356.470 2.466 20 30 FEEDRO C=CCC[C@H](O)C[N@@H+]1CCC[C@@H](S(=O)(=O)N2CCc3ccccc32)C1 ZINC000502332307 561616408 /nfs/dbraw/zinc/61/64/08/561616408.db2.gz LQIMVYNFDWXGSY-ZWKOTPCHSA-N 1 0 364.511 2.170 20 30 FEEDRO N#Cc1cnc2c(F)c(F)c(F)cc2c1NCC[NH+]1CCC(O)CC1 ZINC000296120682 553108167 /nfs/dbraw/zinc/10/81/67/553108167.db2.gz VWEVMWAGYRRRPB-UHFFFAOYSA-N 1 0 350.344 2.392 20 30 FEEDRO Cc1nccn1CCNC(=O)C(=O)Nc1sc(C(C)(C)C)cc1C#N ZINC000296549966 553177678 /nfs/dbraw/zinc/17/76/78/553177678.db2.gz MVBHPRRPYPDJBA-UHFFFAOYSA-N 1 0 359.455 2.177 20 30 FEEDRO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)Nc1ccc(C#N)c(F)c1 ZINC000296712946 553201878 /nfs/dbraw/zinc/20/18/78/553201878.db2.gz DMKOEXAAIOCMMP-INIZCTEOSA-N 1 0 360.433 2.263 20 30 FEEDRO CN(C[C@@H]1CC[N@H+](C)C1)C(=O)C(=O)Nc1sc(C(C)(C)C)cc1C#N ZINC000296831643 553217363 /nfs/dbraw/zinc/21/73/63/553217363.db2.gz IHOFVDCTMJRPHV-GFCCVEGCSA-N 1 0 362.499 2.266 20 30 FEEDRO CCC[C@@H]1CN(C(=O)Nc2snc(C)c2C#N)CC[N@@H+]1CCOC ZINC000297523426 553303865 /nfs/dbraw/zinc/30/38/65/553303865.db2.gz XBUWGWJYMNPBMO-CYBMUJFWSA-N 1 0 351.476 2.288 20 30 FEEDRO C=CCN(Cc1ccccc1)C(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000297684417 553324532 /nfs/dbraw/zinc/32/45/32/553324532.db2.gz BAQDDYBKABNOTF-RBUKOAKNSA-N 1 0 355.482 2.144 20 30 FEEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CC[C@H]([NH+](CC)CC)C1 ZINC000298222530 553399798 /nfs/dbraw/zinc/39/97/98/553399798.db2.gz AAWDBJFTFSXOJN-IBGZPJMESA-N 1 0 368.481 2.016 20 30 FEEDRO COC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](CCOc2ccc(C#N)cc2)CC1 ZINC000298333804 553413446 /nfs/dbraw/zinc/41/34/46/553413446.db2.gz RQLFNDBTCWSPMQ-MOPGFXCFSA-N 1 0 358.438 2.227 20 30 FEEDRO C[C@H](c1ccccc1)[C@@H]([NH2+]CCC(=O)Nc1ccccc1C#N)C(N)=O ZINC000298404873 553421264 /nfs/dbraw/zinc/42/12/64/553421264.db2.gz OUYJVHBDVNLQIU-AUUYWEPGSA-N 1 0 350.422 2.134 20 30 FEEDRO Cc1ccc(CN(CC[NH+](C)C)S(=O)(=O)Cc2cccc(C#N)c2)o1 ZINC000298835061 553479043 /nfs/dbraw/zinc/47/90/43/553479043.db2.gz CEXDXGUBENRAPX-UHFFFAOYSA-N 1 0 361.467 2.353 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@H](C)Sc1nncn1C)C(C)C ZINC000299145765 553521325 /nfs/dbraw/zinc/52/13/25/553521325.db2.gz PSOGAWBQCYMONN-GJZGRUSLSA-N 1 0 351.520 2.111 20 30 FEEDRO C[N@@H+]1CCC[C@H]1CNC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000299536498 553577629 /nfs/dbraw/zinc/57/76/29/553577629.db2.gz UZMHACJEHZEFNQ-SFHVURJKSA-N 1 0 369.469 2.013 20 30 FEEDRO N#C[C@H](c1ccc(Br)cc1)N1CC[NH+](CCCCO)CC1 ZINC000299552421 553579800 /nfs/dbraw/zinc/57/98/00/553579800.db2.gz GDBGSSOXNVCDJJ-MRXNPFEDSA-N 1 0 352.276 2.404 20 30 FEEDRO N#C[C@@H](c1ccc(Br)cc1)N1CC[NH+](CCCCO)CC1 ZINC000299552414 553580034 /nfs/dbraw/zinc/58/00/34/553580034.db2.gz GDBGSSOXNVCDJJ-INIZCTEOSA-N 1 0 352.276 2.404 20 30 FEEDRO N#Cc1ccc(CN2CCN(C(=O)N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000504303839 561655973 /nfs/dbraw/zinc/65/59/73/561655973.db2.gz VSPNLOIRQSZWPO-UXHICEINSA-N 1 0 367.497 2.012 20 30 FEEDRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(c2ccc(C#N)cc2[N+](=O)[O-])CC1 ZINC000299711517 553605235 /nfs/dbraw/zinc/60/52/35/553605235.db2.gz VEDALYSEYQQKHF-HZPDHXFCSA-N 1 0 357.458 2.461 20 30 FEEDRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(c2ccc(C#N)cc2[N+](=O)[O-])CC1 ZINC000299711510 553605244 /nfs/dbraw/zinc/60/52/44/553605244.db2.gz VEDALYSEYQQKHF-HOTGVXAUSA-N 1 0 357.458 2.461 20 30 FEEDRO C=CCCOCCNC(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000504418516 561658055 /nfs/dbraw/zinc/65/80/55/561658055.db2.gz KDCMARKGDKLNSO-UHFFFAOYSA-N 1 0 353.507 2.113 20 30 FEEDRO Cc1nc2ncnn2c(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1C ZINC000301258867 553636245 /nfs/dbraw/zinc/63/62/45/553636245.db2.gz CJDSIBCBMZRBES-UHFFFAOYSA-N 1 0 361.453 2.325 20 30 FEEDRO CC[NH+]1CCN(c2ccc(CNc3nccc(C#N)c3[N+](=O)[O-])cn2)CC1 ZINC000301668955 553670138 /nfs/dbraw/zinc/67/01/38/553670138.db2.gz XZCIBTVJYJXYTK-UHFFFAOYSA-N 1 0 367.413 2.010 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000328616562 553796805 /nfs/dbraw/zinc/79/68/05/553796805.db2.gz SQSGFYVHWUEOLV-NUJGCVRESA-N 1 0 351.491 2.067 20 30 FEEDRO CC[N@@H+]1CCC[C@H](CNC(=O)N[C@H]2CCN(c3ccccc3OC)C2=O)C1 ZINC000328697956 553808928 /nfs/dbraw/zinc/80/89/28/553808928.db2.gz HIKHVAMDVYHCKX-CVEARBPZSA-N 1 0 374.485 2.036 20 30 FEEDRO O=C(NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1cn2c(n1)CCCC2 ZINC000328701300 553809264 /nfs/dbraw/zinc/80/92/64/553809264.db2.gz JCAJLXRCUNPEKV-QGZVFWFLSA-N 1 0 354.454 2.291 20 30 FEEDRO COCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)C2CC[NH+](C3CC3)CC2)C1 ZINC000328701495 553809290 /nfs/dbraw/zinc/80/92/90/553809290.db2.gz NJEHJTCMQXWAMS-GDBMZVCRSA-N 1 0 351.491 2.091 20 30 FEEDRO CS(=O)(=O)N1CCC(CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000328699343 553809316 /nfs/dbraw/zinc/80/93/16/553809316.db2.gz VMYHBPHTWCHGII-MRXNPFEDSA-N 1 0 357.520 2.022 20 30 FEEDRO C[C@H](NC(=O)C1CCCC1)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000328753763 553816920 /nfs/dbraw/zinc/81/69/20/553816920.db2.gz SHYBTKYQFISWCN-CABCVRRESA-N 1 0 351.491 2.233 20 30 FEEDRO C[C@@H](NC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1)c1ccncc1F ZINC000328760526 553818063 /nfs/dbraw/zinc/81/80/63/553818063.db2.gz XIEUCXPZRJCHJK-CABCVRRESA-N 1 0 350.438 2.240 20 30 FEEDRO Cc1nc(C#N)c(N2CCC(C(=O)N3CCCC34CC[NH+](C)CC4)CC2)o1 ZINC000328769466 553819695 /nfs/dbraw/zinc/81/96/95/553819695.db2.gz QQQJSVXGYQTGHJ-UHFFFAOYSA-N 1 0 371.485 2.158 20 30 FEEDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CCn2ncnc2C1 ZINC000328781398 553821336 /nfs/dbraw/zinc/82/13/36/553821336.db2.gz UTVZMFGRGCBKIK-QGZVFWFLSA-N 1 0 368.485 2.308 20 30 FEEDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)N1CCN(c2ccc(Cl)cn2)CC1 ZINC000328800697 553823867 /nfs/dbraw/zinc/82/38/67/553823867.db2.gz IPYJSCVRFUJKHN-CVEARBPZSA-N 1 0 363.893 2.398 20 30 FEEDRO Cc1c(C(=O)N[C@H](C)C(=O)NCC[NH+]2CCCCC2)[nH]c2c1C(=O)CCC2 ZINC000328800517 553824015 /nfs/dbraw/zinc/82/40/15/553824015.db2.gz YMLIKLIQJQPROJ-CQSZACIVSA-N 1 0 374.485 2.403 20 30 FEEDRO C[C@@H]1C[C@H](NC(=O)[C@@H]2CCC(=O)N(C3CC3)[C@H]2c2ccnn2C)CC[N@@H+]1C ZINC000328821225 553827851 /nfs/dbraw/zinc/82/78/51/553827851.db2.gz FPQBAHGFBQAKDU-NPNMTCQASA-N 1 0 373.501 2.301 20 30 FEEDRO Cc1nnnn1[C@H](Cc1cccc(F)c1)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000328909086 553843266 /nfs/dbraw/zinc/84/32/66/553843266.db2.gz DLBHRKDERLPAQD-KZNAEPCWSA-N 1 0 372.448 2.488 20 30 FEEDRO CN1CCO[C@H]2CC[N@H+](CCC(=O)Nc3sc4c(c3C#N)CCC4)C[C@H]21 ZINC000328927427 553846130 /nfs/dbraw/zinc/84/61/30/553846130.db2.gz XCRUMAZJIIRKTA-CVEARBPZSA-N 1 0 374.510 2.491 20 30 FEEDRO C[C@H](CC(=O)N1CCO[C@@H]2CC[N@H+](C)C[C@@H]21)NC(=O)C1CCCCC1 ZINC000328973071 553856292 /nfs/dbraw/zinc/85/62/92/553856292.db2.gz PGDFHBKMKLEXTD-HYVNUMGLSA-N 1 0 351.491 2.233 20 30 FEEDRO CO[C@@H]1C[C@@H](CO)N(C(=O)NCC[NH+]2CCC3(CCCCC3)CC2)C1 ZINC000329030326 553868017 /nfs/dbraw/zinc/86/80/17/553868017.db2.gz WXQLZVYHGHQZDP-DLBZAZTESA-N 1 0 353.507 2.028 20 30 FEEDRO CO[C@@H]1CCC[C@@H]1[C@H]1COCCN1C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000329056616 553872574 /nfs/dbraw/zinc/87/25/74/553872574.db2.gz SRRAOBGBKAIYGZ-KZNAEPCWSA-N 1 0 351.491 2.043 20 30 FEEDRO Cc1nc(C)c(C(=O)N[C@@H]2CCC(=O)N(C3CC3)[C@H]2c2cncn2C)o1 ZINC000329062762 553873804 /nfs/dbraw/zinc/87/38/04/553873804.db2.gz OAEPKAQLEXXIFF-CZUORRHYSA-N 1 0 357.414 2.224 20 30 FEEDRO C[C@@H]1C[N@@H+](CCCNC(=O)C2(c3cc(F)cc(C#N)c3)CC2)C[C@H](C)O1 ZINC000506141521 561691610 /nfs/dbraw/zinc/69/16/10/561691610.db2.gz YEDUZRDEGRWEAG-GASCZTMLSA-N 1 0 359.445 2.344 20 30 FEEDRO COc1ccc2c(c1)OC[C@@H](NC(=O)N1CCCC13CC[NH+](C)CC3)C2 ZINC000329096687 553879405 /nfs/dbraw/zinc/87/94/05/553879405.db2.gz YIBWWRGUEHZCCP-INIZCTEOSA-N 1 0 359.470 2.473 20 30 FEEDRO O=C(NC1CC[NH+](Cc2ccccc2)CC1)N[C@@H]1CCO[C@]2(CCOC2)C1 ZINC000329096522 553879438 /nfs/dbraw/zinc/87/94/38/553879438.db2.gz BUSKUFPVWHCDCV-TZIWHRDSSA-N 1 0 373.497 2.493 20 30 FEEDRO O=C(NCC[N@H+]1CC=CCC1)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000329110346 553882229 /nfs/dbraw/zinc/88/22/29/553882229.db2.gz QGPJNBXHGXYEEW-HNNXBMFYSA-N 1 0 371.437 2.029 20 30 FEEDRO C[N@H+](CC(=O)N[C@@H]1CC(=O)N(c2c(F)cccc2F)C1)[C@H]1CCSC1 ZINC000329126315 553885205 /nfs/dbraw/zinc/88/52/05/553885205.db2.gz UFGPUJQXSFQABT-NEPJUHHUSA-N 1 0 369.437 2.464 20 30 FEEDRO O=C(NCc1ccccc1-n1ccnc1)N[C@@H]1CCO[C@@]2(CCOC2)C1 ZINC000329128303 553885371 /nfs/dbraw/zinc/88/53/71/553885371.db2.gz VHMUWUFJRKQLPU-APWZRJJASA-N 1 0 356.426 2.214 20 30 FEEDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N2CCC[C@@H]2[C@@H]2COCC[C@@]2(C)O)C1 ZINC000329135715 553887103 /nfs/dbraw/zinc/88/71/03/553887103.db2.gz QRHALFJFDWPESB-AJYBTWMASA-N 1 0 367.534 2.273 20 30 FEEDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)C1 ZINC000506208675 561693236 /nfs/dbraw/zinc/69/32/36/561693236.db2.gz IUGCDQZFIJFYIT-DNVCBOLYSA-N 1 0 351.491 2.485 20 30 FEEDRO Cc1ccc(C)c(OCC(=O)NC2CC[NH+]([C@H]3CCN(C)C3=O)CC2)c1 ZINC000329154622 553890672 /nfs/dbraw/zinc/89/06/72/553890672.db2.gz CARUMOCSQJUMON-KRWDZBQOSA-N 1 0 359.470 2.334 20 30 FEEDRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]CC(=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000329166586 553893575 /nfs/dbraw/zinc/89/35/75/553893575.db2.gz HXDXXTGYLMVDEL-GDBMZVCRSA-N 1 0 354.454 2.397 20 30 FEEDRO CC[C@H](C)Oc1cc(C(=O)NC2CC[NH+]([C@H]3CCN(C)C3=O)CC2)ccn1 ZINC000329167819 553893905 /nfs/dbraw/zinc/89/39/05/553893905.db2.gz ITTPIZNQSLRUGF-YOEHRIQHSA-N 1 0 374.485 2.259 20 30 FEEDRO CN1CC[C@H]([NH+]2CCC(NC(=O)c3c[nH]nc3-c3ccccc3)CC2)C1=O ZINC000329169642 553894714 /nfs/dbraw/zinc/89/47/14/553894714.db2.gz JSLCBFWTJNNGHJ-KRWDZBQOSA-N 1 0 367.453 2.076 20 30 FEEDRO CO[C@](C)(C(=O)NC1CC[NH+]([C@@H]2CCN(C)C2=O)CC1)c1ccccc1 ZINC000329182202 553897152 /nfs/dbraw/zinc/89/71/52/553897152.db2.gz OLAPFUVIFXYBAN-XLIONFOSSA-N 1 0 359.470 2.200 20 30 FEEDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@H]1CC(=O)N(C2CCCCC2)C1 ZINC000329190908 553898971 /nfs/dbraw/zinc/89/89/71/553898971.db2.gz RZJKXHINWOPMPM-JQHSSLGASA-N 1 0 362.518 2.393 20 30 FEEDRO C[NH+]1CCN(c2ccc(NC(=O)[C@@H]3CCCN(C(=O)C4CC4)C3)cn2)CC1 ZINC000329198388 553900423 /nfs/dbraw/zinc/90/04/23/553900423.db2.gz WOHXPHBYEWSKMX-MRXNPFEDSA-N 1 0 371.485 2.070 20 30 FEEDRO CC(C)[NH+]1CCC(NC(=O)CN2CCN(C(=O)C3CC3)CC2(C)C)CC1 ZINC000329198127 553900440 /nfs/dbraw/zinc/90/04/40/553900440.db2.gz AHSPPBPBVXDZNX-UHFFFAOYSA-N 1 0 364.534 2.149 20 30 FEEDRO CCc1cc(C(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2ccnn2C)cc(=O)[nH]1 ZINC000329198186 553900606 /nfs/dbraw/zinc/90/06/06/553900606.db2.gz UOJMSJVTMREWBT-SCLBCKFNSA-N 1 0 357.458 2.471 20 30 FEEDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)N[C@@H]1CCOC2(CCOCC2)C1 ZINC000329264358 553913698 /nfs/dbraw/zinc/91/36/98/553913698.db2.gz DSPIETMWXRRLEF-ZACQAIPSSA-N 1 0 351.491 2.187 20 30 FEEDRO O=C(NCc1cc(Cl)c2c(c1)OCCO2)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000329307263 553922737 /nfs/dbraw/zinc/92/27/37/553922737.db2.gz PMVKPNCZNQIBIL-LBPRGKRZSA-N 1 0 351.834 2.352 20 30 FEEDRO O=C(NCc1ccc(CN2CCCC2=O)cc1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000329317358 553924045 /nfs/dbraw/zinc/92/40/45/553924045.db2.gz SNBWAKYXQDAYKQ-KRWDZBQOSA-N 1 0 356.470 2.049 20 30 FEEDRO Cc1cc(C(=O)N2CCC(C[NH+](C)C)CC2)nn1-c1cccc(C#N)c1 ZINC000506484453 561700046 /nfs/dbraw/zinc/70/00/46/561700046.db2.gz FMROMIBGKPYQGT-UHFFFAOYSA-N 1 0 351.454 2.466 20 30 FEEDRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)N1CCCN(C(=O)c2ccsc2)CC1 ZINC000329327737 553926018 /nfs/dbraw/zinc/92/60/18/553926018.db2.gz XKNBEPLIUILGJS-HNNXBMFYSA-N 1 0 362.499 2.047 20 30 FEEDRO C[C@@H](NC(=O)N[C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000329331794 553926653 /nfs/dbraw/zinc/92/66/53/553926653.db2.gz ZSHVOFMLYRHKFR-QFXBJFAPSA-N 1 0 362.518 2.152 20 30 FEEDRO Cc1nc(CN2CCC(CNC(=O)[C@H](C)N3CCOCC3)CC2)oc1C ZINC000329370695 553933856 /nfs/dbraw/zinc/93/38/56/553933856.db2.gz LXUBACACRUBZEN-HNNXBMFYSA-N 1 0 364.490 2.181 20 30 FEEDRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCN(c4ccc(C#N)cc4F)C3)C2)C1 ZINC000329383195 553935412 /nfs/dbraw/zinc/93/54/12/553935412.db2.gz OUUWPIPEJGXXQZ-DYESRHJHSA-N 1 0 370.472 2.468 20 30 FEEDRO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000329400032 553939182 /nfs/dbraw/zinc/93/91/82/553939182.db2.gz YNTKRJRTVAKFQK-UISNHOIMSA-N 1 0 374.529 2.250 20 30 FEEDRO CO[C@@]1(C)CCCN(C(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2ccnn2C)C1 ZINC000329431747 553945687 /nfs/dbraw/zinc/94/56/87/553945687.db2.gz HZGFHJFFHSGTPY-WDYCEAGBSA-N 1 0 363.506 2.218 20 30 FEEDRO Cc1ccc(C(=O)C2CCN(C(=O)NC[C@@H]3C[N@@H+](C)CCN3C)CC2)cc1 ZINC000329443007 553947919 /nfs/dbraw/zinc/94/79/19/553947919.db2.gz LIDSGVPATPXXGG-LJQANCHMSA-N 1 0 372.513 2.050 20 30 FEEDRO CO[C@@H]1CCN(C(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2ccnn2C)[C@@H](C)C1 ZINC000329456149 553950194 /nfs/dbraw/zinc/95/01/94/553950194.db2.gz MVDVOOCNXJCSMG-LISAXSMJSA-N 1 0 363.506 2.216 20 30 FEEDRO CC(C)CNC(=O)N1CCC[C@H](C(=O)N2CC[C@H]([NH+]3CCCC3)[C@H]2C)C1 ZINC000329496094 553957762 /nfs/dbraw/zinc/95/77/62/553957762.db2.gz UUSANCSNNPZWEK-SQNIBIBYSA-N 1 0 364.534 2.354 20 30 FEEDRO CC[N@@H+]1CC[C@H](N(C)CC(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)C[C@@H]1C ZINC000329513498 553960367 /nfs/dbraw/zinc/96/03/67/553960367.db2.gz LMKVFWWWXUVTOQ-ZFWWWQNUSA-N 1 0 372.469 2.305 20 30 FEEDRO CCO[C@@H]1C[C@H](NC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)[C@]12CCCO2 ZINC000329551547 553966180 /nfs/dbraw/zinc/96/61/80/553966180.db2.gz FXCFBQZTXPGRSM-OGJJZOIMSA-N 1 0 351.491 2.043 20 30 FEEDRO C[C@@H]1CN(C[C@H]2CCCN2C(=O)Nc2cn(C)nc2C2CC2)C[C@H](C)O1 ZINC000329598508 553974199 /nfs/dbraw/zinc/97/41/99/553974199.db2.gz DCDNWCSQKDEZSJ-IJEWVQPXSA-N 1 0 361.490 2.417 20 30 FEEDRO C[N@@H+]1CCCC12CCN(CC(=O)NC[C@@H]1COc3ccccc3O1)CC2 ZINC000329617748 553977106 /nfs/dbraw/zinc/97/71/06/553977106.db2.gz DUSDAPMTQFTTBF-MRXNPFEDSA-N 1 0 359.470 2.343 20 30 FEEDRO O=C(NC[C@@H]1CCCCS1(=O)=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000329629030 553979614 /nfs/dbraw/zinc/97/96/14/553979614.db2.gz HLGGMLCTMIQTLY-KRWDZBQOSA-N 1 0 371.547 2.254 20 30 FEEDRO C[NH+](C)CC1(NC(=O)Nc2cccc(N3C(=O)NC(C)(C)C3=O)c2)CCC1 ZINC000329629878 553979807 /nfs/dbraw/zinc/97/98/07/553979807.db2.gz QLZFGZDJDZRNKR-UHFFFAOYSA-N 1 0 373.457 2.345 20 30 FEEDRO Cn1cc(NC(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)c(C2CC2)n1 ZINC000329637430 553980731 /nfs/dbraw/zinc/98/07/31/553980731.db2.gz VQDVOBUOJKWKAT-SJORKVTESA-N 1 0 361.490 2.391 20 30 FEEDRO CC[C@@H](C)[NH2+][C@@H](CNC(=O)C(=O)Nc1cccc(C#N)c1)c1ccco1 ZINC000506956157 561712519 /nfs/dbraw/zinc/71/25/19/561712519.db2.gz VKPYZNJMIYSURD-CJNGLKHVSA-N 1 0 354.410 2.335 20 30 FEEDRO C[C@@H]1[N@H+](CC(=O)Nc2cc(-n3cnnn3)ccc2F)CCC12CCOCC2 ZINC000329659098 553984216 /nfs/dbraw/zinc/98/42/16/553984216.db2.gz HNFDRXJESOVTLA-ZDUSSCGKSA-N 1 0 374.420 2.280 20 30 FEEDRO C[N@@H+]1CCCN(C(=O)c2ccccc2NC(=O)[C@@H]2C[C@]23CCOC3)CC1 ZINC000329684685 553988059 /nfs/dbraw/zinc/98/80/59/553988059.db2.gz YFIMAFMFSCETQR-JXFKEZNVSA-N 1 0 357.454 2.479 20 30 FEEDRO O=C(NCC1([NH+]2CCCC2)CCOCC1)N[C@@H]1CCO[C@@H](C2CC2)C1 ZINC000329730821 553996370 /nfs/dbraw/zinc/99/63/70/553996370.db2.gz HZELIKLIJOXZFL-IAGOWNOFSA-N 1 0 351.491 2.093 20 30 FEEDRO C[NH+]1CCC2(CCCN2C(=O)N[C@@H]2CCC(=O)N[C@@H]2[C@@H]2CCCO2)CC1 ZINC000329737256 553997932 /nfs/dbraw/zinc/99/79/32/553997932.db2.gz LZUCTZHCRIOVMK-VYDXJSESSA-N 1 0 364.490 2.127 20 30 FEEDRO Cc1ccc(N2CCC[C@@H](NC(=O)NC3C[C@H]4CCC[C@@H](C3)[N@H+]4C)C2)nn1 ZINC000329771354 554003128 /nfs/dbraw/zinc/00/31/28/554003128.db2.gz JSIPSAVQFYNKLM-CSNJMZFVSA-N 1 0 372.517 2.273 20 30 FEEDRO CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@@H]2CC[C@@H]3CCC[C@H]3C2)CC1 ZINC000329775113 554003622 /nfs/dbraw/zinc/00/36/22/554003622.db2.gz MUTXMTLPVFXQFL-OKZBNKHCSA-N 1 0 364.534 2.355 20 30 FEEDRO C[C@H](c1nccs1)N1CCN(C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000329829074 554013678 /nfs/dbraw/zinc/01/36/78/554013678.db2.gz JOVAWPUWGWAVRZ-RBSFLKMASA-N 1 0 351.520 2.218 20 30 FEEDRO CC(C)O[C@@H]1C[C@H](NC(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)C1(C)C ZINC000329858373 554020042 /nfs/dbraw/zinc/02/00/42/554020042.db2.gz NYUNXTCLEVWQQG-VVLHAWIVSA-N 1 0 353.507 2.145 20 30 FEEDRO CC[NH+]1CCN(c2cccc(NC(=O)N3CCC[C@H](C)[C@@H]3CO)c2)CC1 ZINC000329915167 554031229 /nfs/dbraw/zinc/03/12/29/554031229.db2.gz CWVJEWGVZPNJOT-LPHOPBHVSA-N 1 0 360.502 2.467 20 30 FEEDRO CC1CC[NH+](Cc2ccccc2CNC(=O)N[C@@H]2CC(=O)N(C)C2)CC1 ZINC000329929140 554033489 /nfs/dbraw/zinc/03/34/89/554033489.db2.gz NDMPZRHYFHUZRD-GOSISDBHSA-N 1 0 358.486 2.153 20 30 FEEDRO CC1CC[NH+](Cc2cccc(CNC(=O)N[C@H]3CC(=O)N(C)C3)c2)CC1 ZINC000329943452 554035962 /nfs/dbraw/zinc/03/59/62/554035962.db2.gz WDHNEBMTNBRXFX-SFHVURJKSA-N 1 0 358.486 2.153 20 30 FEEDRO C[C@H](NC(=O)N1CCO[C@]2(CCO[C@@H]2C)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000329955337 554038677 /nfs/dbraw/zinc/03/86/77/554038677.db2.gz OYFLPRACWURQCS-PFRQMTDMSA-N 1 0 365.518 2.433 20 30 FEEDRO [O-]C(N[C@H]1CCN(c2ncccc2Cl)C1)=[NH+]C[C@@H]1CCc2nccn2C1 ZINC000329956789 554038748 /nfs/dbraw/zinc/03/87/48/554038748.db2.gz PEAOEWNZNIUODA-KBPBESRZSA-N 1 0 374.876 2.276 20 30 FEEDRO CCO[C@@H]1C[C@@H](NC(=O)N2CCCC23CC[NH+](C)CC3)C12CCOCC2 ZINC000329983464 554044005 /nfs/dbraw/zinc/04/40/05/554044005.db2.gz PPAZDWDBANGTND-IAGOWNOFSA-N 1 0 365.518 2.435 20 30 FEEDRO CCN1CCN(C(=O)NC2CC[NH+](C(C)(C)C)CC2)C[C@@H]1c1ncc[nH]1 ZINC000329996538 554046209 /nfs/dbraw/zinc/04/62/09/554046209.db2.gz PBSHZEROGCKQRS-MRXNPFEDSA-N 1 0 362.522 2.265 20 30 FEEDRO Cc1nnc2n1C[C@@H](CNC(=O)NC1CC[NH+](C3CCCCC3)CC1)CC2 ZINC000330019188 554050000 /nfs/dbraw/zinc/05/00/00/554050000.db2.gz URRAPYARWFQEMP-MRXNPFEDSA-N 1 0 374.533 2.450 20 30 FEEDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N2CCC(O[C@@H]3CCOC3)CC2)C1 ZINC000330079734 554061082 /nfs/dbraw/zinc/06/10/82/554061082.db2.gz ONMDBRXFBZZGLZ-SJLPKXTDSA-N 1 0 353.507 2.291 20 30 FEEDRO CC[NH+]1CCN(c2ccc(CNC(=O)N[C@H]3CCCSC3)cn2)CC1 ZINC000330136805 554071852 /nfs/dbraw/zinc/07/18/52/554071852.db2.gz ULDSASRYHVTUAN-INIZCTEOSA-N 1 0 363.531 2.123 20 30 FEEDRO O=C(CN1CC[N@@H+]2CCCC[C@@H]2C1)NCc1cnn(-c2ccccc2)c1 ZINC000330165205 554076767 /nfs/dbraw/zinc/07/67/67/554076767.db2.gz WSIKBUADVFHQEB-LJQANCHMSA-N 1 0 353.470 2.499 20 30 FEEDRO CCn1cc([C@@H]2NC(=O)CC[C@H]2NC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)cn1 ZINC000330183546 554080309 /nfs/dbraw/zinc/08/03/09/554080309.db2.gz QBMLXKHRQCZDOW-JZXOWHBKSA-N 1 0 374.489 2.147 20 30 FEEDRO Cc1ccc2ncc(C#N)c(N3CCN(C(=O)[C@H]4CCC[N@H+]4C)CC3)c2c1 ZINC000330193757 554082562 /nfs/dbraw/zinc/08/25/62/554082562.db2.gz YTFBDTWRRYJCSZ-LJQANCHMSA-N 1 0 363.465 2.158 20 30 FEEDRO CC(C)(C)S(=O)(=O)N1CCC(NC(=O)[C@H]2CCC[N@@H+]2C2CC2)CC1 ZINC000330221418 554087252 /nfs/dbraw/zinc/08/72/52/554087252.db2.gz LRLRLRPXTQVISL-OAHLLOKOSA-N 1 0 357.520 2.162 20 30 FEEDRO C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)CC1=O ZINC000330223267 554088089 /nfs/dbraw/zinc/08/80/89/554088089.db2.gz AERXTUXHIOOFGE-OQIJWPOYSA-N 1 0 370.497 2.336 20 30 FEEDRO O=C(N[C@H]1CCOC2(CCC2)C1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000330230723 554089239 /nfs/dbraw/zinc/08/92/39/554089239.db2.gz QTAUTBVXMQSBQP-KRWDZBQOSA-N 1 0 351.491 2.046 20 30 FEEDRO Cc1ccc(NC(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)cc1N1CCNC1=O ZINC000330229841 554089295 /nfs/dbraw/zinc/08/92/95/554089295.db2.gz WCKLFSKUWWCYEN-HOCLYGCPSA-N 1 0 357.458 2.443 20 30 FEEDRO C=CCN1C(=O)c2ccc(C(=O)N3C[C@H]4CCC[N@H+]4C[C@H]3CC)cc2C1=O ZINC000330238675 554090790 /nfs/dbraw/zinc/09/07/90/554090790.db2.gz ZYZAQOPHIGUDJT-HZPDHXFCSA-N 1 0 367.449 2.167 20 30 FEEDRO Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NC(=O)NCC[NH+]1CCC(C)CC1 ZINC000330327143 554105866 /nfs/dbraw/zinc/10/58/66/554105866.db2.gz KRPSHPMBBOREAI-WMZOPIPTSA-N 1 0 363.506 2.102 20 30 FEEDRO C[NH+](C)[C@]1(CNC(=O)Nc2cc3c(cc2F)NC(=O)CC3)CCSC1 ZINC000330330553 554106554 /nfs/dbraw/zinc/10/65/54/554106554.db2.gz NLCQZGNMDWKNOR-KRWDZBQOSA-N 1 0 366.462 2.474 20 30 FEEDRO C[C@H](C(=O)Nc1nc2ccc(F)cc2s1)N1C[C@H]2OCCN(C)[C@H]2C1 ZINC000330345750 554108963 /nfs/dbraw/zinc/10/89/63/554108963.db2.gz FOSGXGNIEHHUGQ-DDTOSNHZSA-N 1 0 364.446 2.427 20 30 FEEDRO CCN(C[C@@H](C)C#N)S(=O)(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000330378703 554113400 /nfs/dbraw/zinc/11/34/00/554113400.db2.gz ROVOLGHFOFBAGD-XHSDSOJGSA-N 1 0 358.552 2.059 20 30 FEEDRO C[C@H](c1ccccc1)[NH+]1CCC(NS(=O)(=O)N(C)C[C@H](C)C#N)CC1 ZINC000330379118 554113408 /nfs/dbraw/zinc/11/34/08/554113408.db2.gz GMWKIDVAMSKTCN-HZPDHXFCSA-N 1 0 364.515 2.138 20 30 FEEDRO CC[N@@H+]1CCC[C@H](NC(=O)c2cccc(S(=O)(=O)NC(C)C)c2)C1 ZINC000330505015 554130695 /nfs/dbraw/zinc/13/06/95/554130695.db2.gz JQHJAVLVJMOGBR-HNNXBMFYSA-N 1 0 353.488 2.162 20 30 FEEDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)CNC(=O)c1cccc(Br)c1 ZINC000330566238 554139080 /nfs/dbraw/zinc/13/90/80/554139080.db2.gz AULMAHZWQTWALN-VXGBXAGGSA-N 1 0 368.275 2.305 20 30 FEEDRO C[C@H](NC(=O)N[C@@H]1CC[C@@H]([NH+](C)C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000330573523 554140144 /nfs/dbraw/zinc/14/01/44/554140144.db2.gz DXDVLPMUBCKJOZ-NWANDNLSSA-N 1 0 353.488 2.137 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@@H](C(=O)NCCC)C2)CC1 ZINC000330659696 554152073 /nfs/dbraw/zinc/15/20/73/554152073.db2.gz RKCXWJBWXLIFMY-MRXNPFEDSA-N 1 0 350.507 2.179 20 30 FEEDRO CS[C@H]1CN(C(=O)Nc2cc(NC(C)=O)ccc2F)C[C@@H]1[NH+](C)C ZINC000330725895 554163787 /nfs/dbraw/zinc/16/37/87/554163787.db2.gz ZTQLTGGMCTXSQH-GJZGRUSLSA-N 1 0 354.451 2.307 20 30 FEEDRO CC(=O)Nc1ccc(NC(=O)N2CCC([N@H+](C)CCO)CC2)c(Cl)c1 ZINC000330896141 554184614 /nfs/dbraw/zinc/18/46/14/554184614.db2.gz GQEFUDFHFJTQEA-UHFFFAOYSA-N 1 0 368.865 2.232 20 30 FEEDRO COC(=O)c1cc(NC(=O)N2CC[NH+](CCC(C)(C)C)CC2)cn1C ZINC000330978125 554196402 /nfs/dbraw/zinc/19/64/02/554196402.db2.gz UMHUNWJDFBIGLQ-UHFFFAOYSA-N 1 0 350.463 2.411 20 30 FEEDRO CC(C)NC(=O)NC1(C(=O)N(C)C[C@H]2CCC[N@H+](C)C2)CCCCC1 ZINC000331007901 554200607 /nfs/dbraw/zinc/20/06/07/554200607.db2.gz QOYJKNHAGVNWOK-INIZCTEOSA-N 1 0 352.523 2.402 20 30 FEEDRO C=CCn1c(C(=O)NC(C)C)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC000508503111 561763961 /nfs/dbraw/zinc/76/39/61/561763961.db2.gz FCEQTXXLIRSOCP-UHFFFAOYSA-N 1 0 362.522 2.161 20 30 FEEDRO C[C@@H]1CC[C@@H](NC(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)C1 ZINC000331218095 554232489 /nfs/dbraw/zinc/23/24/89/554232489.db2.gz GVRSHOJNCXPHGV-GDBMZVCRSA-N 1 0 352.523 2.305 20 30 FEEDRO Cc1[nH]nc(NC(=O)CCC[NH+]2CCN(c3ccccc3)CC2)c1C#N ZINC000508773377 561772236 /nfs/dbraw/zinc/77/22/36/561772236.db2.gz ZPHBZGLLUJABQI-UHFFFAOYSA-N 1 0 352.442 2.131 20 30 FEEDRO CCCCn1ncc(NC(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)c1C ZINC000331309551 554245341 /nfs/dbraw/zinc/24/53/41/554245341.db2.gz XUQSFYLHOHHPEQ-CQSZACIVSA-N 1 0 351.495 2.314 20 30 FEEDRO CS[C@@H]1CN([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@@H]1[NH+](C)C ZINC000331410714 554259683 /nfs/dbraw/zinc/25/96/83/554259683.db2.gz GGKLBZLDUNSFDK-FGTMMUONSA-N 1 0 358.511 2.031 20 30 FEEDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000331430467 554263269 /nfs/dbraw/zinc/26/32/69/554263269.db2.gz CDEOQBYCEJZEMU-BMIGLBTASA-N 1 0 373.400 2.338 20 30 FEEDRO C=CCn1c([C@@H]2OCC[C@@H]2C)nnc1N1CC[N@@H+](CCOCC)[C@@H](C)C1 ZINC000509013088 561781418 /nfs/dbraw/zinc/78/14/18/561781418.db2.gz OEHPLCSVUJNETG-YESZJQIVSA-N 1 0 363.506 2.109 20 30 FEEDRO CC[NH+](CC)CCN(CCC(F)(F)F)S(=O)(=O)N(C)[C@@H](C)CC#N ZINC000509181782 561788704 /nfs/dbraw/zinc/78/87/04/561788704.db2.gz CYSSTRKHMWTCIS-ZDUSSCGKSA-N 1 0 372.457 2.061 20 30 FEEDRO C[C@@H]1C[NH+](CC2CCN(C(=O)CNc3ccc(C#N)cc3)CC2)C[C@@H](C)O1 ZINC000331925781 554347228 /nfs/dbraw/zinc/34/72/28/554347228.db2.gz DCMKFOHLZIDKFG-IAGOWNOFSA-N 1 0 370.497 2.318 20 30 FEEDRO CC[NH+]1CCC(NC(=O)[C@H]2CCCN(c3nc(C)ccc3C#N)C2)CC1 ZINC000331935753 554348719 /nfs/dbraw/zinc/34/87/19/554348719.db2.gz XAQCQKZTTGNYJV-KRWDZBQOSA-N 1 0 355.486 2.079 20 30 FEEDRO N#CC1(CCC[NH+]2CCN(c3ccc(C(N)=O)cn3)CC2)CCOCC1 ZINC000332072416 554374072 /nfs/dbraw/zinc/37/40/72/554374072.db2.gz WOPAKHBGBXVJQD-UHFFFAOYSA-N 1 0 357.458 2.188 20 30 FEEDRO CC(C)(C)c1cc(C#N)c(NC(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)s1 ZINC000332108370 554381738 /nfs/dbraw/zinc/38/17/38/554381738.db2.gz SGGDDSXYMKFUEF-AAEUAGOBSA-N 1 0 360.483 2.066 20 30 FEEDRO Cc1ncc(S(=O)(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1C#N ZINC000332612313 554483543 /nfs/dbraw/zinc/48/35/43/554483543.db2.gz PLYUUFFFPOAZPM-GASCZTMLSA-N 1 0 364.515 2.298 20 30 FEEDRO N#Cc1ccc(NC(=O)CC[NH+]2CCN(Cc3ncc[nH]3)CC2)cc1Cl ZINC000510238112 561829262 /nfs/dbraw/zinc/82/92/62/561829262.db2.gz OUDBHWRIFGKJRV-UHFFFAOYSA-N 1 0 372.860 2.081 20 30 FEEDRO COc1ccccc1[C@@H](CNC(=O)N=c1[nH]n(C)cc1C#N)[NH+]1CCCC1 ZINC000610561301 554528711 /nfs/dbraw/zinc/52/87/11/554528711.db2.gz IEFLWOBTBQOECW-MRXNPFEDSA-N 1 0 368.441 2.259 20 30 FEEDRO CS[C@@H]1CN([C@@H](C)C(=O)NC2(C#N)CCCCC2)C[C@H]1[NH+]1CCCC1 ZINC000332846778 554528945 /nfs/dbraw/zinc/52/89/45/554528945.db2.gz HRXBQHCJKPDYSB-GVDBMIGSSA-N 1 0 364.559 2.229 20 30 FEEDRO Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N[C@H]3C[C@H](C)[N@@H+](C4CC4)C3)C2)n1 ZINC000333055688 554565751 /nfs/dbraw/zinc/56/57/51/554565751.db2.gz MDUYQCQIKWDSIK-SZMVWBNQSA-N 1 0 367.497 2.220 20 30 FEEDRO C=CCOC[C@@H]1NC(=O)N(CC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)C1=O ZINC000348559634 554688668 /nfs/dbraw/zinc/68/86/68/554688668.db2.gz CCOGFDZHOWYPJT-UHOSZYNNSA-N 1 0 371.481 2.410 20 30 FEEDRO C=CCNC(=O)NC(=O)[C@H](C)[N@H+](C)Cc1ccc(OCC(F)(F)F)cc1 ZINC000511120216 561857906 /nfs/dbraw/zinc/85/79/06/561857906.db2.gz BYOOXVFONBTNSI-LBPRGKRZSA-N 1 0 373.375 2.460 20 30 FEEDRO C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCC([C@H]2c3ccccc3NC2=O)CC1 ZINC000360186525 554866057 /nfs/dbraw/zinc/86/60/57/554866057.db2.gz FSKVPCVZNRUDLE-KSSFIOAISA-N 1 0 354.454 2.195 20 30 FEEDRO C[C@H]1CN(C(=O)c2ccc(C3(C#N)CC3)cc2)CCN1C1CC[NH+](C)CC1 ZINC000360438803 554875183 /nfs/dbraw/zinc/87/51/83/554875183.db2.gz ZYIQVCQOEGRZKC-KRWDZBQOSA-N 1 0 366.509 2.482 20 30 FEEDRO CN1CCC(CNC(=O)c2ccc(CC#N)cc2)([NH+]2CCCCC2)CC1 ZINC000360742598 554888316 /nfs/dbraw/zinc/88/83/16/554888316.db2.gz ZGUGGDCDZLUGNA-UHFFFAOYSA-N 1 0 354.498 2.433 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)[C@H]2CC(=O)N(c3ccccc3CC)C2)CC1 ZINC000361672189 554928462 /nfs/dbraw/zinc/92/84/62/554928462.db2.gz SRHXCFLBTOCQPC-SFHVURJKSA-N 1 0 367.493 2.206 20 30 FEEDRO N#C[C@@H]1CN(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CCN1C1CC1 ZINC000362721395 554984395 /nfs/dbraw/zinc/98/43/95/554984395.db2.gz ALBMOGNAZLWTKS-HXUWFJFHSA-N 1 0 367.497 2.164 20 30 FEEDRO C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1NCc1cnc2ccc(C#N)cn12 ZINC000363236019 555060513 /nfs/dbraw/zinc/06/05/13/555060513.db2.gz IYQMEYVEJXOKOI-ATZDWAIDSA-N 1 0 353.470 2.185 20 30 FEEDRO C#Cc1cccc(NC(=O)C(=O)NC[C@H]2CC[N@@H+](C)[C@@H]2c2cccs2)c1 ZINC000363250080 555063434 /nfs/dbraw/zinc/06/34/34/555063434.db2.gz ISJXMYASEGCKLY-QAPCUYQASA-N 1 0 367.474 2.477 20 30 FEEDRO CC1CCC([NH+]2CCC(NC(=O)N=c3ccn(CCC#N)[nH]3)CC2)CC1 ZINC000363551490 555135107 /nfs/dbraw/zinc/13/51/07/555135107.db2.gz PENPBSCZBDWQLO-UHFFFAOYSA-N 1 0 358.490 2.961 20 30 FEEDRO C#CC[C@H](C)NC(=O)N(C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000363605187 555146078 /nfs/dbraw/zinc/14/60/78/555146078.db2.gz DBZOCSDSOOPKFL-FXAWDEMLSA-N 1 0 357.498 2.485 20 30 FEEDRO CC(C)(C#N)c1ccccc1C[NH+]1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC000363759553 555180192 /nfs/dbraw/zinc/18/01/92/555180192.db2.gz NRNKLBOUIJBOJP-HXUWFJFHSA-N 1 0 354.454 2.298 20 30 FEEDRO COc1cc(C#N)ccc1OCCCC(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000363941981 555218843 /nfs/dbraw/zinc/21/88/43/555218843.db2.gz SFQWHOWYIUSCGB-SJORKVTESA-N 1 0 357.454 2.469 20 30 FEEDRO CO/N=C/c1ccc(C(=O)N[C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@H]2C)cc1 ZINC000364544617 555333843 /nfs/dbraw/zinc/33/38/43/555333843.db2.gz LHHYROFJVRJYSL-MEXCJMNJSA-N 1 0 359.470 2.286 20 30 FEEDRO C[C@H](Oc1ccc(C#N)cc1)C(=O)N[C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000364553922 555336995 /nfs/dbraw/zinc/33/69/95/555336995.db2.gz CUVMXHFJWVZTGR-GIYDNNGJSA-N 1 0 371.481 2.331 20 30 FEEDRO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000512512694 561907977 /nfs/dbraw/zinc/90/79/77/561907977.db2.gz YTKQFMKUQBFGRG-KRWDZBQOSA-N 1 0 362.434 2.008 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3F)C2)CC1 ZINC000364738184 555390143 /nfs/dbraw/zinc/39/01/43/555390143.db2.gz TXLTUDIHVFCHCQ-OAHLLOKOSA-N 1 0 359.445 2.254 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)c2ccc(OC)c(-c3ccn(C)n3)c2)CC1 ZINC000364904967 555432696 /nfs/dbraw/zinc/43/26/96/555432696.db2.gz LOEZRHMZLWSFSD-UHFFFAOYSA-N 1 0 366.465 2.313 20 30 FEEDRO C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000365041229 555471470 /nfs/dbraw/zinc/47/14/70/555471470.db2.gz WRCMUGHXIJIZOL-JKSUJKDBSA-N 1 0 370.453 2.003 20 30 FEEDRO C=CCOc1ccccc1C[NH2+]C[C@@H]1CCCC[C@@H]1NS(C)(=O)=O ZINC000512909105 561919671 /nfs/dbraw/zinc/91/96/71/561919671.db2.gz RUZVAASHKSHNDF-RDJZCZTQSA-N 1 0 352.500 2.449 20 30 FEEDRO CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@@H]1CCC(=O)N1Cc1cccc(C#N)c1 ZINC000365147490 555495566 /nfs/dbraw/zinc/49/55/66/555495566.db2.gz BZDQLUOTVJBANW-MOPGFXCFSA-N 1 0 370.497 2.142 20 30 FEEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000365542954 555604287 /nfs/dbraw/zinc/60/42/87/555604287.db2.gz AODYDDNHIOUKKH-SXLOBPIMSA-N 1 0 369.513 2.289 20 30 FEEDRO CC(C)[N@@H+](CC(=O)N1CCCCCC1)C[C@H](O)COc1ccc(C#N)cc1 ZINC000513265582 561931608 /nfs/dbraw/zinc/93/16/08/561931608.db2.gz GMFUGXLHJHUMLF-IBGZPJMESA-N 1 0 373.497 2.411 20 30 FEEDRO CC(C)Cc1ccc([C@H](CNC(=O)N2CCO[C@H](C#N)C2)[NH+](C)C)cc1 ZINC000513382250 561936389 /nfs/dbraw/zinc/93/63/89/561936389.db2.gz DVMAMPSZFARZCU-MOPGFXCFSA-N 1 0 358.486 2.422 20 30 FEEDRO C=CCCS(=O)(=O)N(C)C[C@@H]1CCC[N@@H+](CC)[C@H]1c1cnn(C)c1 ZINC000365792884 555668589 /nfs/dbraw/zinc/66/85/89/555668589.db2.gz CNKFGPOGYAOIPR-DOTOQJQBSA-N 1 0 354.520 2.031 20 30 FEEDRO CN(C(=O)CN1CCC(n2ccc([N+](=O)[O-])n2)CC1)C1(C#N)CCCCC1 ZINC000365872133 555689257 /nfs/dbraw/zinc/68/92/57/555689257.db2.gz KLANJGBBSRYHHH-UHFFFAOYSA-N 1 0 374.445 2.113 20 30 FEEDRO N#Cc1cccc(NC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCCCC3)C2)c1 ZINC000365908134 555698253 /nfs/dbraw/zinc/69/82/53/555698253.db2.gz YTMOSKHAJQVSER-GOSISDBHSA-N 1 0 354.454 2.364 20 30 FEEDRO C#CCn1ccc(CN(CC)[C@@H](C)C(=O)N2CCc3sccc3C2)n1 ZINC000366104548 555752632 /nfs/dbraw/zinc/75/26/32/555752632.db2.gz PVYFNSZGNPAPPB-HNNXBMFYSA-N 1 0 356.495 2.373 20 30 FEEDRO CC(C)(CNC(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1)[NH+]1CCCCC1 ZINC000366261796 555795526 /nfs/dbraw/zinc/79/55/26/555795526.db2.gz MHBZUOFHPRPOGJ-QGZVFWFLSA-N 1 0 371.485 2.380 20 30 FEEDRO CC(C)(CNC(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1)[NH+]1CCCCC1 ZINC000366261795 555795581 /nfs/dbraw/zinc/79/55/81/555795581.db2.gz MHBZUOFHPRPOGJ-KRWDZBQOSA-N 1 0 371.485 2.380 20 30 FEEDRO C[NH+](C)C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)s2)c2ccccc2O1 ZINC000366625229 555894038 /nfs/dbraw/zinc/89/40/38/555894038.db2.gz TUOOERJIWNEHRK-GFCCVEGCSA-N 1 0 363.464 2.138 20 30 FEEDRO N#Cc1c(NC(=O)CC[N@@H+]2CCC[C@H]3C(=O)NC[C@H]32)sc2c1CCCC2 ZINC000366903035 555964337 /nfs/dbraw/zinc/96/43/37/555964337.db2.gz MTASHQCUUPRIAS-UKRRQHHQSA-N 1 0 372.494 2.038 20 30 FEEDRO N#Cc1ccsc1NC(=O)CC[NH2+][C@@]1(CO)CCOc2ccccc21 ZINC000366902002 555964387 /nfs/dbraw/zinc/96/43/87/555964387.db2.gz WMHWEKKETFEKJU-GOSISDBHSA-N 1 0 357.435 2.208 20 30 FEEDRO O=C(C[N@@H+]1CCC[C@@]12CCOC2)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000366942573 555977978 /nfs/dbraw/zinc/97/79/78/555977978.db2.gz FEYKMMVVRCYNMQ-SFHVURJKSA-N 1 0 366.383 2.428 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N2CCOC[C@H]2Cc2c[nH]c3ccccc23)CC1 ZINC000367018525 555999027 /nfs/dbraw/zinc/99/90/27/555999027.db2.gz ZTVXSQKYIKHVEX-LJQANCHMSA-N 1 0 365.477 2.283 20 30 FEEDRO C[NH+]1CCC(CCNC(=O)N2CCC(C#N)(c3ccccn3)CC2)CC1 ZINC000367141346 556002737 /nfs/dbraw/zinc/00/27/37/556002737.db2.gz RSUWDMXQUAUJOV-UHFFFAOYSA-N 1 0 355.486 2.380 20 30 FEEDRO C[NH+]1CCN([C@H]2CCCCN(C(=O)c3cc(C#N)ccc3Cl)C2)CC1 ZINC000367638742 556102183 /nfs/dbraw/zinc/10/21/83/556102183.db2.gz QGHLGMKRNPLNPA-INIZCTEOSA-N 1 0 360.889 2.454 20 30 FEEDRO Cc1cn2c(n1)CC[C@@H](NC(=O)[C@H]1CCN(c3ccc(C#N)cc3F)C1)C2 ZINC000367721008 556122840 /nfs/dbraw/zinc/12/28/40/556122840.db2.gz NCEDXFIWYUAIEP-JKSUJKDBSA-N 1 0 367.428 2.160 20 30 FEEDRO N#Cc1ccc(S(N)(=O)=O)cc1NC1CC[NH+](CC2CCCC2)CC1 ZINC000367723376 556123562 /nfs/dbraw/zinc/12/35/62/556123562.db2.gz YZLNIYWWVMCESN-UHFFFAOYSA-N 1 0 362.499 2.272 20 30 FEEDRO C=CCn1c(C(=O)NC(CC)CC)nnc1N1C[C@@H](C)[N@H+](CC)C[C@H]1C ZINC000514894127 561985431 /nfs/dbraw/zinc/98/54/31/561985431.db2.gz UWFYWJVLWRIOLT-HUUCEWRRSA-N 1 0 362.522 2.301 20 30 FEEDRO C[C@H](CO)[N@@H+]1CCCN(c2c(C#N)cnc3c(F)c(F)c(F)cc32)CC1 ZINC000367826683 556148675 /nfs/dbraw/zinc/14/86/75/556148675.db2.gz PHFUMZVWEYRXOE-LLVKDONJSA-N 1 0 364.371 2.417 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)o1 ZINC000368086388 556214810 /nfs/dbraw/zinc/21/48/10/556214810.db2.gz XBMCINGQQMCYQV-IRXDYDNUSA-N 1 0 371.462 2.294 20 30 FEEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CC[C@H]3C(=O)NC[C@@H]3C2)c1 ZINC000368102256 556219924 /nfs/dbraw/zinc/21/99/24/556219924.db2.gz XRQGQRSSMSRTLT-YQVWRLOYSA-N 1 0 368.481 2.007 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@@H](F)C2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000368143174 556229071 /nfs/dbraw/zinc/22/90/71/556229071.db2.gz PWEXPUDLHPUACW-INIZCTEOSA-N 1 0 369.481 2.348 20 30 FEEDRO N#Cc1ccccc1N1CCC(C[NH2+][C@H](Cc2ccccc2)C(N)=O)CC1 ZINC000368285086 556268156 /nfs/dbraw/zinc/26/81/56/556268156.db2.gz SIVQIVSDCCFLLM-HXUWFJFHSA-N 1 0 362.477 2.461 20 30 FEEDRO N#CC[C@@H]1C[C@H]2[C@@H](CCC[C@H]2[NH2+]Cc2cccc(N3CCOCC3)n2)O1 ZINC000368417911 556302695 /nfs/dbraw/zinc/30/26/95/556302695.db2.gz VACCKAWHSDYNBK-NCXUSEDFSA-N 1 0 356.470 2.248 20 30 FEEDRO C=CCN1CC[C@H]([NH+]2CCC(n3cc(Br)cn3)CC2)C1=O ZINC000368537452 556339139 /nfs/dbraw/zinc/33/91/39/556339139.db2.gz INEGMKVZTVKYRO-AWEZNQCLSA-N 1 0 353.264 2.069 20 30 FEEDRO N#C[C@@H]1CCC[C@@H]([NH2+]C2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)C1 ZINC000368649845 556373889 /nfs/dbraw/zinc/37/38/89/556373889.db2.gz JZTLEDRPLAYRPP-MDYRTPRTSA-N 1 0 369.465 2.489 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N2CCC[C@@H](C(=O)N3CCCCC3)C2)CC1 ZINC000369073236 556497796 /nfs/dbraw/zinc/49/77/96/556497796.db2.gz GWOMXWIFBRDCRL-QGZVFWFLSA-N 1 0 362.518 2.071 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC(c3nnc4n3CCC4)CC2)CC1 ZINC000369085557 556501043 /nfs/dbraw/zinc/50/10/43/556501043.db2.gz URRRGIOGQKOGRJ-UHFFFAOYSA-N 1 0 372.517 2.154 20 30 FEEDRO CN(C(=O)Nc1ccc(C#N)cc1)C1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000369088355 556501466 /nfs/dbraw/zinc/50/14/66/556501466.db2.gz TURSHHZHLAPCDS-UHFFFAOYSA-N 1 0 369.469 2.109 20 30 FEEDRO C=CCN1CC[C@@H]([NH+]2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)C1=O ZINC000369186351 556529534 /nfs/dbraw/zinc/52/95/34/556529534.db2.gz CGHFAPPBOHPGPY-OAHLLOKOSA-N 1 0 362.861 2.172 20 30 FEEDRO CC[NH+](CC)[C@H](CNC(=O)N1CCN(C2CC2)[C@H](C#N)C1)c1ccco1 ZINC000369218463 556538895 /nfs/dbraw/zinc/53/88/95/556538895.db2.gz ISKBLXXWFJEGGJ-IAGOWNOFSA-N 1 0 359.474 2.044 20 30 FEEDRO C=CCNC(=O)NC(=O)[C@H](C)[N@H+](C)C[C@H]1CCCc2sc(C)nc21 ZINC000369556392 556630247 /nfs/dbraw/zinc/63/02/47/556630247.db2.gz LTZWGUOGMFQYNH-WCQYABFASA-N 1 0 350.488 2.204 20 30 FEEDRO N#Cc1ccc(OC[C@H](O)C[NH2+][C@@H]2c3ccccc3CC[C@@H]2CO)cc1 ZINC000369557988 556631045 /nfs/dbraw/zinc/63/10/45/556631045.db2.gz BQGVTYXEBQNBGT-OPYAIIAOSA-N 1 0 352.434 2.184 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000516252636 562037552 /nfs/dbraw/zinc/03/75/52/562037552.db2.gz JOYAYTZWFWGNHV-YRPNKDGESA-N 1 0 358.482 2.109 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[S@@](=O)CC[C@H]1C)C(C)C ZINC000369731841 556679905 /nfs/dbraw/zinc/67/99/05/556679905.db2.gz LJSMIUGLMAWXPD-OJLQRUNKSA-N 1 0 355.548 2.238 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)[C@H]2CC(=O)N(c3ccccc3Cl)C2)CC1 ZINC000369755754 556686181 /nfs/dbraw/zinc/68/61/81/556686181.db2.gz BANWBUXCODTUCA-HNNXBMFYSA-N 1 0 373.884 2.297 20 30 FEEDRO C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1NC(=O)NCCc1cccc(C#N)c1 ZINC000369873668 556718237 /nfs/dbraw/zinc/71/82/37/556718237.db2.gz MOEGGCXBTQMTDH-AHRSYUTCSA-N 1 0 370.497 2.289 20 30 FEEDRO N#Cc1ccc(CNC(=O)C[N@H+]2CCC[C@]2(CO)Cc2ccccc2)cc1 ZINC000370008516 556756609 /nfs/dbraw/zinc/75/66/09/556756609.db2.gz ORCHUASERVMXGD-JOCHJYFZSA-N 1 0 363.461 2.244 20 30 FEEDRO CCN(C(=O)[C@H](C)[NH+]1CCC(n2cnc(C#N)n2)CC1)c1ccccc1 ZINC000370123247 556786940 /nfs/dbraw/zinc/78/69/40/556786940.db2.gz RQAOONCNDWAJTE-HNNXBMFYSA-N 1 0 352.442 2.228 20 30 FEEDRO CO/N=C/c1ccc(C(=O)NC[C@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)cc1 ZINC000370231798 556817919 /nfs/dbraw/zinc/81/79/19/556817919.db2.gz FVYIAHAQUAZXCH-ULGCDPTCSA-N 1 0 369.469 2.213 20 30 FEEDRO CO/N=C/c1ccc(C(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cnn(C)c2)cc1 ZINC000370231799 556817995 /nfs/dbraw/zinc/81/79/95/556817995.db2.gz FVYIAHAQUAZXCH-VABFBZKRSA-N 1 0 369.469 2.213 20 30 FEEDRO CCOCc1ccccc1C[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000516682086 562054442 /nfs/dbraw/zinc/05/44/42/562054442.db2.gz WZSQDLBARLROBL-UHFFFAOYSA-N 1 0 359.451 2.053 20 30 FEEDRO N#Cc1ccc(OC2CCC(NC(=O)N[C@H]3CC[C@@H](C[NH3+])C3)CC2)nc1 ZINC000516857347 562060772 /nfs/dbraw/zinc/06/07/72/562060772.db2.gz ZEQZLUPXHLBYOS-AKBUMOGYSA-N 1 0 357.458 2.070 20 30 FEEDRO N#Cc1ccc(OC2CCC(NC(=O)N[C@H]3CC[C@H](C[NH3+])C3)CC2)nc1 ZINC000516857350 562060782 /nfs/dbraw/zinc/06/07/82/562060782.db2.gz ZEQZLUPXHLBYOS-PXZKZTPFSA-N 1 0 357.458 2.070 20 30 FEEDRO Cc1cc(CN2CCC([N@H+](C)C[C@H](O)c3ccc(C#N)cc3)CC2)on1 ZINC000370557707 556908290 /nfs/dbraw/zinc/90/82/90/556908290.db2.gz PCIQKRSHXLPITG-FQEVSTJZSA-N 1 0 354.454 2.485 20 30 FEEDRO CC(C)Oc1ccc(NC(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1C#N ZINC000370910045 557011508 /nfs/dbraw/zinc/01/15/08/557011508.db2.gz YTFFKVPCQDDSSY-SJORKVTESA-N 1 0 358.442 2.330 20 30 FEEDRO COCC[N@@H+]1CC[C@H](NC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)C1 ZINC000371052344 557059298 /nfs/dbraw/zinc/05/92/98/557059298.db2.gz IAOABCSXRWBCQL-GBESFXJTSA-N 1 0 356.470 2.188 20 30 FEEDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2CCC(=O)Nc1sccc1C#N ZINC000371299070 557136310 /nfs/dbraw/zinc/13/63/10/557136310.db2.gz CKGFFJXJLUFBBT-OAGGEKHMSA-N 1 0 362.499 2.132 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N2CCC3(C[C@H]3C(=O)N3CCCC3)CC2)CC1 ZINC000371393950 557172504 /nfs/dbraw/zinc/17/25/04/557172504.db2.gz VFSCUHRKDOHXPZ-SFHVURJKSA-N 1 0 374.529 2.071 20 30 FEEDRO C#CCOc1ccc(C(=O)N2CCC(C)(C[NH+]3CCOCC3)CC2)cc1 ZINC000371542807 557216269 /nfs/dbraw/zinc/21/62/69/557216269.db2.gz AEDSBPRQDUKARF-UHFFFAOYSA-N 1 0 356.466 2.273 20 30 FEEDRO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCC2(C[C@H]2C(=O)N(C)C2CC2)CC1 ZINC000371546353 557217231 /nfs/dbraw/zinc/21/72/31/557217231.db2.gz ZOALZQVALJYVCH-WMZOPIPTSA-N 1 0 359.514 2.298 20 30 FEEDRO C=CCN(C(=O)c1ccc(C(N)=O)cn1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000371590453 557232082 /nfs/dbraw/zinc/23/20/82/557232082.db2.gz NKRMTDIVFNSRFW-SFHVURJKSA-N 1 0 364.449 2.083 20 30 FEEDRO N#Cc1ccc(OC[C@@H](O)C[NH2+]Cc2ccc(OCC3CC3)nc2)cc1 ZINC000518169537 562105486 /nfs/dbraw/zinc/10/54/86/562105486.db2.gz XKQNUYOYGJYEFQ-SFHVURJKSA-N 1 0 353.422 2.272 20 30 FEEDRO N#Cc1ccccc1NC(=O)CC[N@@H+]1CCCC[C@@H]1CN1CCOCC1 ZINC000371635223 557246714 /nfs/dbraw/zinc/24/67/14/557246714.db2.gz UFUOROLLAGJUSY-GOSISDBHSA-N 1 0 356.470 2.074 20 30 FEEDRO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 ZINC000371706744 557270421 /nfs/dbraw/zinc/27/04/21/557270421.db2.gz KQQDPXWWJFFRCA-OAHLLOKOSA-N 1 0 370.432 2.831 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)NCc2nnc(-c3ccc(F)cc3)[nH]2)CC1 ZINC000518023387 562102899 /nfs/dbraw/zinc/10/28/99/562102899.db2.gz OGINQXZVUVFYKP-UHFFFAOYSA-N 1 0 358.421 2.060 20 30 FEEDRO Cn1cc(-c2cccc(NC(=O)N(CCC#N)CCC[NH+](C)C)n2)cn1 ZINC000372078709 557373926 /nfs/dbraw/zinc/37/39/26/557373926.db2.gz RDTPWVRPBNGXDG-UHFFFAOYSA-N 1 0 355.446 2.181 20 30 FEEDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000372341415 557444840 /nfs/dbraw/zinc/44/48/40/557444840.db2.gz BSFIYBCRFRYNMZ-ZMYBRWDISA-N 1 0 354.454 2.124 20 30 FEEDRO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1NCC(=O)Nc1sccc1C#N ZINC000372360896 557449595 /nfs/dbraw/zinc/44/95/95/557449595.db2.gz XQTAKGZBFYDTPI-KBMXLJTQSA-N 1 0 362.499 2.037 20 30 FEEDRO C=CCN(C(=O)NCCc1cnccn1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000372487060 557483755 /nfs/dbraw/zinc/48/37/55/557483755.db2.gz MKOJTYRDUKWNIL-FQEVSTJZSA-N 1 0 365.481 2.491 20 30 FEEDRO Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3C[C@@H]4CCCCCC[C@H]43)CC2)o1 ZINC000372585782 557512978 /nfs/dbraw/zinc/51/29/78/557512978.db2.gz JVGFXTKFGRXRBD-FUHWJXTLSA-N 1 0 371.485 2.158 20 30 FEEDRO CCCN(CCC[NH+](C)C)C(=O)[C@@H]1CCC(=O)N1Cc1cccc(C#N)c1 ZINC000372756581 557555395 /nfs/dbraw/zinc/55/53/95/557555395.db2.gz FBVOUZYXDFHUIC-IBGZPJMESA-N 1 0 370.497 2.240 20 30 FEEDRO CN1C(=O)C[C@H]([NH2+]CC(=O)Nc2cccc(C#N)c2)[C@H]1c1ccc(F)cc1 ZINC000372810832 557566814 /nfs/dbraw/zinc/56/68/14/557566814.db2.gz XDMVHQZIEGCQIX-FXAWDEMLSA-N 1 0 366.396 2.197 20 30 FEEDRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(Cc2ccc(F)c(C#N)c2Cl)CC1 ZINC000373014781 557610173 /nfs/dbraw/zinc/61/01/73/557610173.db2.gz OWYFSRGERNLAGD-MRXNPFEDSA-N 1 0 364.852 2.089 20 30 FEEDRO CC[C@H]1C[N@H+](C)CCN1C(=O)CCC(=O)N(CCC#N)c1ccccc1 ZINC000519838478 562146198 /nfs/dbraw/zinc/14/61/98/562146198.db2.gz GVMFIFIEXRIPGE-KRWDZBQOSA-N 1 0 356.470 2.266 20 30 FEEDRO COc1ccc2c(c1)[C@H]([NH3+])CCN2S(=O)(=O)c1ccc(C#N)cc1C ZINC000373176677 557644028 /nfs/dbraw/zinc/64/40/28/557644028.db2.gz CIPWVAHPGTTYIH-MRXNPFEDSA-N 1 0 357.435 2.474 20 30 FEEDRO C[C@H]1CN(C(=O)c2ccc(C3(C#N)CC3)cc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000373198145 557648174 /nfs/dbraw/zinc/64/81/74/557648174.db2.gz NHMDQDSZAYKNEM-FXAWDEMLSA-N 1 0 366.509 2.340 20 30 FEEDRO C[C@H]1[NH2+]CCN(C(=O)NC2CCC(Oc3ncccc3C#N)CC2)[C@@H]1C ZINC000520204344 562150538 /nfs/dbraw/zinc/15/05/38/562150538.db2.gz ANVIPQQQQNMIBS-QBBMROGASA-N 1 0 357.458 2.035 20 30 FEEDRO Cc1cc(C)cc(NC(=O)[C@H](C)[NH+]2CCC(n3cnc(C#N)n3)CC2)c1 ZINC000373400822 557687261 /nfs/dbraw/zinc/68/72/61/557687261.db2.gz RVOWETRSXIQFEU-HNNXBMFYSA-N 1 0 352.442 2.431 20 30 FEEDRO N#Cc1ncn(C2CC[NH+](CCCOc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000373400067 557687320 /nfs/dbraw/zinc/68/73/20/557687320.db2.gz OCHRNWLUSPZTHH-UHFFFAOYSA-N 1 0 356.386 2.164 20 30 FEEDRO COc1ccc(C[NH+]2CCC(n3cnc(C#N)n3)CC2)c(OC)c1OC ZINC000373487894 557703180 /nfs/dbraw/zinc/70/31/80/557703180.db2.gz DZSYWJDAQYJVQG-UHFFFAOYSA-N 1 0 357.414 2.013 20 30 FEEDRO N#Cc1ccsc1NC(=O)CC[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000373586222 557723912 /nfs/dbraw/zinc/72/39/12/557723912.db2.gz RCWNGLVMDYVKHC-ZDUSSCGKSA-N 1 0 374.426 2.390 20 30 FEEDRO CC(C)NC(=O)c1cnn2c1C[C@H](C[NH2+]Cc1ccc(C#N)cc1)CC2 ZINC000373669775 557735127 /nfs/dbraw/zinc/73/51/27/557735127.db2.gz ZVYIMTKQGLXRKT-QGZVFWFLSA-N 1 0 351.454 2.245 20 30 FEEDRO C[C@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1CCC(=O)N1Cc1cccc(C#N)c1 ZINC000373700195 557741191 /nfs/dbraw/zinc/74/11/91/557741191.db2.gz LSGCVXREKOXSAT-LPHOPBHVSA-N 1 0 368.481 2.040 20 30 FEEDRO C[C@@H](NC(=O)N[C@@H]1CCCN(c2ccccc2C#N)C1)C1=CC[N@H+](C)CC1 ZINC000374752076 557925421 /nfs/dbraw/zinc/92/54/21/557925421.db2.gz QXMUQFAGBXFNRX-VQIMIIECSA-N 1 0 367.497 2.477 20 30 FEEDRO C=CCN1CC[C@H]([NH2+][C@H]2CCN(C3CC3)[C@@H]2c2cccc(OC)c2)C1=O ZINC000374845481 557939867 /nfs/dbraw/zinc/93/98/67/557939867.db2.gz WNSMRPARZLJESR-SLFFLAALSA-N 1 0 355.482 2.350 20 30 FEEDRO N#C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C[C@@H]3CCCc4ccccc43)C2)CCO1 ZINC000374929325 557952669 /nfs/dbraw/zinc/95/26/69/557952669.db2.gz KTQULYJAOFLKAD-GBESFXJTSA-N 1 0 353.466 2.179 20 30 FEEDRO CC(C)[NH+]1CCN(CCCN2CCO[C@H](c3cccc(C#N)c3)C2)CC1 ZINC000375600198 558054817 /nfs/dbraw/zinc/05/48/17/558054817.db2.gz SMLKFCKMOPHWIW-NRFANRHFSA-N 1 0 356.514 2.348 20 30 FEEDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000375691579 558068083 /nfs/dbraw/zinc/06/80/83/558068083.db2.gz XFBYDUYSIFWKJW-TZMCWYRMSA-N 1 0 353.875 2.459 20 30 FEEDRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)C[C@@H](CC#N)c3ccccc3)CC2)C1 ZINC000375694213 558068733 /nfs/dbraw/zinc/06/87/33/558068733.db2.gz WIDOGODAMUYIBV-UXHICEINSA-N 1 0 354.498 2.312 20 30 FEEDRO N#Cc1ccc(S(N)(=O)=O)cc1N[C@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000376189792 558138793 /nfs/dbraw/zinc/13/87/93/558138793.db2.gz TVYKUFJNJMJMRH-HNNXBMFYSA-N 1 0 362.499 2.415 20 30 FEEDRO C[C@@H]1CN(c2nc3cc(Cl)ccn3c2C#N)CCN1C1CC[NH+](C)CC1 ZINC000376449177 558174772 /nfs/dbraw/zinc/17/47/72/558174772.db2.gz LXXCRUXMXMUGCN-CQSZACIVSA-N 1 0 372.904 2.464 20 30 FEEDRO COCCNC(=O)c1c[nH]nc1[C@@H]1CCC[N@H+](CC(C)(C)CCC#N)C1 ZINC000376689273 558209049 /nfs/dbraw/zinc/20/90/49/558209049.db2.gz MBBSJULYPAKGKX-OAHLLOKOSA-N 1 0 361.490 2.295 20 30 FEEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000377578681 558369674 /nfs/dbraw/zinc/36/96/74/558369674.db2.gz AJAVVTZMWFFLAZ-CVEARBPZSA-N 1 0 358.442 2.330 20 30 FEEDRO COC(=O)c1cc(C[NH2+][C@@H]2CCCN(c3ccccc3C#N)C2)cn1C ZINC000377645313 558385677 /nfs/dbraw/zinc/38/56/77/558385677.db2.gz HZLSNJSRIMRXCV-QGZVFWFLSA-N 1 0 352.438 2.442 20 30 FEEDRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000377676392 558394211 /nfs/dbraw/zinc/39/42/11/558394211.db2.gz QKCLYKNQSMFUND-HXUWFJFHSA-N 1 0 369.513 2.409 20 30 FEEDRO N#Cc1cc(Cl)ccc1S(=O)(=O)N1C[C@@H]2[C@H]3CCCC[N@H+]3C[C@H]2C1 ZINC000377844181 558433784 /nfs/dbraw/zinc/43/37/84/558433784.db2.gz KIWVYJWUUCBWPH-CWRNSKLLSA-N 1 0 365.886 2.316 20 30 FEEDRO N#Cc1ccc(N2CCC[C@H](NC(=O)C34CCC[NH+]3CCC4)C2)c(F)c1 ZINC000377966603 558454220 /nfs/dbraw/zinc/45/42/20/558454220.db2.gz VEJQJFUWICKHOW-INIZCTEOSA-N 1 0 356.445 2.411 20 30 FEEDRO C=CCCO[C@H](C)C(=O)Nc1ccccc1C[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000522890147 562205612 /nfs/dbraw/zinc/20/56/12/562205612.db2.gz OKECFUJCTIVSFT-NVXWUHKLSA-N 1 0 359.470 2.304 20 30 FEEDRO C=CCN(C(=O)c1nn(C)cc1[N+](=O)[O-])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000378402530 558548639 /nfs/dbraw/zinc/54/86/39/558548639.db2.gz MCYSCCVJSJOTPJ-MRXNPFEDSA-N 1 0 369.425 2.231 20 30 FEEDRO Cc1cc(=NC(=O)N2CCC[C@H]([NH+]3CCCCCC3)C2)[nH]n1CCC#N ZINC000378522930 558574310 /nfs/dbraw/zinc/57/43/10/558574310.db2.gz UIBZXUKHWUMJPV-KRWDZBQOSA-N 1 0 358.490 2.978 20 30 FEEDRO C[C@H](CCNS(=O)(=O)c1cccnc1C#N)[N@H+](C)Cc1ccccc1 ZINC000379691440 558602435 /nfs/dbraw/zinc/60/24/35/558602435.db2.gz DNJIEWSDUMEYBQ-OAHLLOKOSA-N 1 0 358.467 2.142 20 30 FEEDRO N#Cc1ccnc(NCCN2CC[NH+](Cc3ccccc3)CC2)c1Cl ZINC000390972279 558613189 /nfs/dbraw/zinc/61/31/89/558613189.db2.gz RRQPUYKJBVGXOY-UHFFFAOYSA-N 1 0 355.873 2.836 20 30 FEEDRO C[C@@H]1CCC[C@@](C[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)(N(C)C)C1 ZINC000392795325 558618848 /nfs/dbraw/zinc/61/88/48/558618848.db2.gz QPVQEMJPHLALDH-VQIMIIECSA-N 1 0 363.527 2.432 20 30 FEEDRO C[C@H](C(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)n1cnc(C#N)n1 ZINC000409458574 558694069 /nfs/dbraw/zinc/69/40/69/558694069.db2.gz IASSKIMLSIFNES-HZPDHXFCSA-N 1 0 366.469 2.259 20 30 FEEDRO CCN(CCC#N)S(=O)(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000409488330 558696725 /nfs/dbraw/zinc/69/67/25/558696725.db2.gz VPMCDYYTDDHFIV-UHFFFAOYSA-N 1 0 356.536 2.099 20 30 FEEDRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)[C@@H](C)n1cnc(C#N)n1 ZINC000409816950 558721548 /nfs/dbraw/zinc/72/15/48/558721548.db2.gz OQGKJCQJLALQKL-CQSZACIVSA-N 1 0 360.487 2.143 20 30 FEEDRO C[C@H](C(=O)NCC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)n1cnc(C#N)n1 ZINC000409851835 558723276 /nfs/dbraw/zinc/72/32/76/558723276.db2.gz ANTHJMROWSAIHV-JFIYKMOQSA-N 1 0 366.469 2.128 20 30 FEEDRO CCN(C[C@@H](C)C#N)S(=O)(=O)N(CC[NH+](C)C)CC1CCCCC1 ZINC000410142478 558741801 /nfs/dbraw/zinc/74/18/01/558741801.db2.gz LMYLLXUQJNGREF-INIZCTEOSA-N 1 0 358.552 2.157 20 30 FEEDRO C=CCCN(C)C(=O)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000410838628 558815542 /nfs/dbraw/zinc/81/55/42/558815542.db2.gz BKSJIXYSVINIHZ-RBUKOAKNSA-N 1 0 355.482 2.001 20 30 FEEDRO C=C(C)COc1cccc(NC(=O)C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000411680557 558942531 /nfs/dbraw/zinc/94/25/31/558942531.db2.gz XOOZSRBHNFKVRC-INIZCTEOSA-N 1 0 359.470 2.428 20 30 FEEDRO CCOC(=O)[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCN(c2sccc2C#N)C1=O ZINC000411781783 558962054 /nfs/dbraw/zinc/96/20/54/558962054.db2.gz CLQYBHBGYKCYTI-QLFBSQMISA-N 1 0 361.467 2.437 20 30 FEEDRO N#Cc1c(NC(=O)CC[N@H+]2CC[C@@](O)(C(F)F)C2)sc2c1CCC2 ZINC000411801668 558966024 /nfs/dbraw/zinc/96/60/24/558966024.db2.gz NCRFNAPIMNDJNQ-INIZCTEOSA-N 1 0 355.410 2.139 20 30 FEEDRO C=CCSc1ccccc1NC(=O)C[NH2+][C@H](CO)[C@H]1CCCOC1 ZINC000411999219 559000970 /nfs/dbraw/zinc/00/09/70/559000970.db2.gz XBPLMUSRDNTHQX-GOEBONIOSA-N 1 0 350.484 2.280 20 30 FEEDRO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)NCC(C)(C)C#N ZINC000413441468 559108051 /nfs/dbraw/zinc/10/80/51/559108051.db2.gz POGZODNCIPTPMR-QZTJIDSGSA-N 1 0 358.486 2.372 20 30 FEEDRO C=CCc1cc(C[N@H+]2CCSC[C@H](C(=O)OC)C2)cc(OC)c1O ZINC000414566218 559172207 /nfs/dbraw/zinc/17/22/07/559172207.db2.gz HZFOGOACXRKUSZ-OAHLLOKOSA-N 1 0 351.468 2.467 20 30 FEEDRO N#Cc1ccc(NC(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])cc1Cl ZINC000414719377 559181946 /nfs/dbraw/zinc/18/19/46/559181946.db2.gz YERLMEMHWGNEFY-CQSZACIVSA-N 1 0 363.849 2.063 20 30 FEEDRO C[NH+]1CCC(CNC(=O)NC2CCC(Oc3ncccc3C#N)CC2)CC1 ZINC000527103474 562276578 /nfs/dbraw/zinc/27/65/78/562276578.db2.gz ZFDLZKNELFFMDS-UHFFFAOYSA-N 1 0 371.485 2.284 20 30 FEEDRO N#Cc1ccc(NC(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)cc1C(F)(F)F ZINC000415216361 559215637 /nfs/dbraw/zinc/21/56/37/559215637.db2.gz RUHKUIJQFJEILQ-AWEZNQCLSA-N 1 0 367.375 2.088 20 30 FEEDRO C[NH2+][C@H]1CCCN(C(=O)C(=O)Nc2ccccc2SC[C@@H](C)C#N)C1 ZINC000415380745 559229343 /nfs/dbraw/zinc/22/93/43/559229343.db2.gz SZLSBPXLSQNLFH-KBPBESRZSA-N 1 0 360.483 2.087 20 30 FEEDRO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)Nc2ccccc2C#Cc2ccccc2)C1 ZINC000415392963 559230549 /nfs/dbraw/zinc/23/05/49/559230549.db2.gz KNFXADQMEILUGD-SFHVURJKSA-N 1 0 361.445 2.093 20 30 FEEDRO C[C@@H]1CN(C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)CC[C@@H]1[NH3+] ZINC000415437477 559236849 /nfs/dbraw/zinc/23/68/49/559236849.db2.gz CAZXIFGBYXYKKB-RISCZKNCSA-N 1 0 358.833 2.598 20 30 FEEDRO CC(C)(C)[C@H](C[NH3+])NC(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 ZINC000415461467 559239746 /nfs/dbraw/zinc/23/97/46/559239746.db2.gz NWMZFYODYSWRJJ-AWEZNQCLSA-N 1 0 360.849 2.892 20 30 FEEDRO C[C@H]([NH3+])C1CCN(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)CC1 ZINC000415470981 559240889 /nfs/dbraw/zinc/24/08/89/559240889.db2.gz ZNUKCSIEFMKPCV-LBPRGKRZSA-N 1 0 372.860 2.988 20 30 FEEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)NCC(C)(C)[NH3+] ZINC000415472111 559241002 /nfs/dbraw/zinc/24/10/02/559241002.db2.gz USOBNUYOBBLJRY-UHFFFAOYSA-N 1 0 366.421 2.451 20 30 FEEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000415478529 559241702 /nfs/dbraw/zinc/24/17/02/559241702.db2.gz ZHXQHJOLPMGUNQ-ZNMIVQPWSA-N 1 0 372.494 2.372 20 30 FEEDRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000415492228 559242996 /nfs/dbraw/zinc/24/29/96/559242996.db2.gz LFYPYNGPHDGTAH-KGLIPLIRSA-N 1 0 360.483 2.230 20 30 FEEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N[C@@H](C)CC[NH3+] ZINC000415548825 559248552 /nfs/dbraw/zinc/24/85/52/559248552.db2.gz FYUCJTWUYTZXSJ-AWEZNQCLSA-N 1 0 366.421 2.451 20 30 FEEDRO C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)NCCC[C@H]2CCC[NH2+]2)cc1 ZINC000415597672 559254104 /nfs/dbraw/zinc/25/41/04/559254104.db2.gz JNJPEVFIGUFWDN-UONOGXRCSA-N 1 0 364.471 2.026 20 30 FEEDRO CC(C)[C@H]([NH3+])CCN(C)C(=O)Nc1ccc(S(=O)(=O)[C@@H](C)C#N)cc1 ZINC000415601162 559254195 /nfs/dbraw/zinc/25/41/95/559254195.db2.gz PNPAYECUOGLXDW-XJKSGUPXSA-N 1 0 366.487 2.209 20 30 FEEDRO CC(C)C[C@](C)(C[NH3+])NC(=O)Nc1ccc(S(=O)(=O)[C@@H](C)C#N)cc1 ZINC000415600784 559254290 /nfs/dbraw/zinc/25/42/90/559254290.db2.gz OTVNIAMNVOWPKE-SUMWQHHRSA-N 1 0 366.487 2.257 20 30 FEEDRO C=CCOc1cccc(NC(=O)C(=O)N2CCC3(CC[NH2+]CC3)CC2)c1 ZINC000415643800 559257600 /nfs/dbraw/zinc/25/76/00/559257600.db2.gz SAWWDYPRGRTIRO-UHFFFAOYSA-N 1 0 357.454 2.182 20 30 FEEDRO N#Cc1cc(NC(=O)N2CCCO[C@@H](C[NH3+])C2)ccc1OC(F)(F)F ZINC000415657563 559258811 /nfs/dbraw/zinc/25/88/11/559258811.db2.gz OAWFTCYBLIWLFP-LBPRGKRZSA-N 1 0 358.320 2.038 20 30 FEEDRO COC[C@]1(CNC(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)CCC[NH2+]1 ZINC000415663615 559259351 /nfs/dbraw/zinc/25/93/51/559259351.db2.gz YUZSKRQATYQBQW-OAHLLOKOSA-N 1 0 372.347 2.347 20 30 FEEDRO N#Cc1ccc(NC(=O)C(=O)N2CCC[C@@H](CC[NH3+])C2)cc1C(F)(F)F ZINC000415676634 559260843 /nfs/dbraw/zinc/26/08/43/559260843.db2.gz LEDUSUXHUWKHRU-NSHDSACASA-N 1 0 368.359 2.103 20 30 FEEDRO CCOc1ccc(C#N)cc1NC(=O)C(=O)N(CCC[NH3+])CC1CCCC1 ZINC000415715091 559264725 /nfs/dbraw/zinc/26/47/25/559264725.db2.gz WNRXSXZMFAUFNQ-UHFFFAOYSA-N 1 0 372.469 2.263 20 30 FEEDRO C=C(C)COc1cccc(NC(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000415756579 559268138 /nfs/dbraw/zinc/26/81/38/559268138.db2.gz LOTBQMYNIVLPMW-IYBDPMFKSA-N 1 0 357.454 2.038 20 30 FEEDRO C[C@H](C#N)S(=O)(=O)NC1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000416456349 559314332 /nfs/dbraw/zinc/31/43/32/559314332.db2.gz GYGCPACVUQGYSY-CYBMUJFWSA-N 1 0 371.890 2.015 20 30 FEEDRO COC[C@]1(CNC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CCC[NH2+]1 ZINC000416944504 559339721 /nfs/dbraw/zinc/33/97/21/559339721.db2.gz LVJSVIOVJYOYPK-QGZVFWFLSA-N 1 0 369.387 2.125 20 30 FEEDRO C[C@H](NC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1)[C@H]1CCC[NH2+]C1 ZINC000417571066 559367210 /nfs/dbraw/zinc/36/72/10/559367210.db2.gz FBGBHDCQCHVNJN-BHYGNILZSA-N 1 0 373.476 2.353 20 30 FEEDRO N#Cc1ccc(N2CCC[C@H](NC(=O)N[C@H]3CCC[C@H]3C[NH3+])C2)c(F)c1 ZINC000417581308 559367772 /nfs/dbraw/zinc/36/77/72/559367772.db2.gz SKXDQMIVRLPMBL-ZOBUZTSGSA-N 1 0 359.449 2.093 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1ccc(OCC[NH+](C)C)c(OC)c1 ZINC000417691457 559372773 /nfs/dbraw/zinc/37/27/73/559372773.db2.gz WSJABBFQHIOHKE-CVEARBPZSA-N 1 0 363.458 2.491 20 30 FEEDRO C=CCC[C@@H](NC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)c1ccccc1 ZINC000417910491 559381616 /nfs/dbraw/zinc/38/16/16/559381616.db2.gz JZPPRGUSBJJCTP-QZTJIDSGSA-N 1 0 358.486 2.190 20 30 FEEDRO C[C@H](CCCC[NH3+])NC(=O)NC1CCC(Oc2ncccc2C#N)CC1 ZINC000418050944 559388009 /nfs/dbraw/zinc/38/80/09/559388009.db2.gz QMDXRBFUAOHOQO-ODIFPOPNSA-N 1 0 359.474 2.460 20 30 FEEDRO C=CCOc1ccc(CN2CCC[C@H]2C(=O)NCC(=O)OC)cc1Cl ZINC000418119557 559390788 /nfs/dbraw/zinc/39/07/88/559390788.db2.gz GPUGYLVFFSUROC-HNNXBMFYSA-N 1 0 366.845 2.158 20 30 FEEDRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000418604982 559407564 /nfs/dbraw/zinc/40/75/64/559407564.db2.gz YHECQEDRXXYXCL-DYVFJYSZSA-N 1 0 360.433 2.248 20 30 FEEDRO C[C@@H]1CN(Cc2ccc(C#N)cc2Br)[C@@H](C)C[N@@H+]1CCO ZINC000419346356 559438855 /nfs/dbraw/zinc/43/88/55/559438855.db2.gz VBPUCYGUXWZXPK-OLZOCXBDSA-N 1 0 352.276 2.208 20 30 FEEDRO CC1(C)CCC[NH2+][C@@H]1CNC(=O)C(=O)N[C@H](CCC#N)c1ccccc1 ZINC000419479692 559444467 /nfs/dbraw/zinc/44/44/67/559444467.db2.gz VCEXPPVSMTZZBW-IAGOWNOFSA-N 1 0 356.470 2.042 20 30 FEEDRO C=CCC[C@H](NC(=O)C(=O)N1CC[C@@H]([NH3+])C1)c1ccc(C(F)(F)F)cc1 ZINC000419482254 559444630 /nfs/dbraw/zinc/44/46/30/559444630.db2.gz YAHSEIRIHSIINL-CABCVRRESA-N 1 0 369.387 2.389 20 30 FEEDRO N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)NC[C@@H]1CCC[N@H+]1CCCO ZINC000419604960 559449583 /nfs/dbraw/zinc/44/95/83/559449583.db2.gz CZJHYIPUSGZYEV-PKOBYXMFSA-N 1 0 356.470 2.082 20 30 FEEDRO C=CCC[C@H](NC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1)c1ccccc1 ZINC000419661521 559452380 /nfs/dbraw/zinc/45/23/80/559452380.db2.gz FOCJWASPCHXDNN-VJANTYMQSA-N 1 0 355.482 2.396 20 30 FEEDRO C=C(C)[C@H](NC(=O)C(=O)N1CCCC[C@H]1C[NH3+])c1ccc(F)c(F)c1 ZINC000419674662 559453266 /nfs/dbraw/zinc/45/32/66/559453266.db2.gz JILNVKHGCPCIQY-BBRMVZONSA-N 1 0 351.397 2.038 20 30 FEEDRO C=C(C)[C@@H](NC(=O)C(=O)N(C)[C@H]1CCC[NH2+]CC1)c1ccc(F)c(F)c1 ZINC000419676734 559453288 /nfs/dbraw/zinc/45/32/88/559453288.db2.gz MAHMGJWLJQRTEU-WMLDXEAASA-N 1 0 365.424 2.299 20 30 FEEDRO C=C(C)[C@H](NC(=O)C(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1)c1ccc(F)c(F)c1 ZINC000419675939 559453375 /nfs/dbraw/zinc/45/33/75/559453375.db2.gz LFPACOQTJZKWCK-JDFRZJQESA-N 1 0 365.424 2.142 20 30 FEEDRO C=C(C)[C@H](NC(=O)C(=O)NC[C@@]1(C)CCC[NH2+]C1)c1ccc(F)c(F)c1 ZINC000419677825 559453410 /nfs/dbraw/zinc/45/34/10/559453410.db2.gz NHFPKVXTCQVRSW-LPHOPBHVSA-N 1 0 365.424 2.204 20 30 FEEDRO C=CCC[C@@H]1NC(=O)N(CCC[NH+]2CCN(c3cccc(C)c3)CC2)C1=O ZINC000419934988 559465413 /nfs/dbraw/zinc/46/54/13/559465413.db2.gz GQTWDIUEEGFINH-IBGZPJMESA-N 1 0 370.497 2.394 20 30 FEEDRO C=CCOC[C@H]1NC(=O)N(C[C@@H](c2ccc(SC)cc2)[NH+](C)C)C1=O ZINC000419966483 559466890 /nfs/dbraw/zinc/46/68/90/559466890.db2.gz LJPGRCVZYMFOII-CVEARBPZSA-N 1 0 363.483 2.134 20 30 FEEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000420098162 559472514 /nfs/dbraw/zinc/47/25/14/559472514.db2.gz ARLWCTOVDRTPBE-RYUDHWBXSA-N 1 0 355.891 2.173 20 30 FEEDRO CC(C)(CCC[NH3+])NS(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000420421658 559486742 /nfs/dbraw/zinc/48/67/42/559486742.db2.gz LPYGFHONMQNMJP-UHFFFAOYSA-N 1 0 360.277 2.117 20 30 FEEDRO C[C@H](CCCC[NH3+])NS(=O)(=O)c1cccc(Br)c1C#N ZINC000420420494 559486848 /nfs/dbraw/zinc/48/68/48/559486848.db2.gz JVIKCGPPBPOWAE-SNVBAGLBSA-N 1 0 360.277 2.117 20 30 FEEDRO C[C@@H]1CCN(S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)C[C@H]1C[NH3+] ZINC000420482692 559489806 /nfs/dbraw/zinc/48/98/06/559489806.db2.gz URLLMUXYLZUDFC-ZYHUDNBSSA-N 1 0 361.389 2.182 20 30 FEEDRO C[N@H+](CCOc1cccc(CNc2cncc(C#N)n2)c1)C1CCOCC1 ZINC000420586573 559493013 /nfs/dbraw/zinc/49/30/13/559493013.db2.gz OVXSJOHATYGXNN-UHFFFAOYSA-N 1 0 367.453 2.450 20 30 FEEDRO CN(C[C@@H]1CCC[N@@H+]1C)S(=O)(=O)c1cc(Br)ccc1C#N ZINC000420738884 559501608 /nfs/dbraw/zinc/50/16/08/559501608.db2.gz OJXFNBRVLCAMND-ZDUSSCGKSA-N 1 0 372.288 2.035 20 30 FEEDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)Nc1scc(C(C)(C)C)c1C#N ZINC000421292769 559536464 /nfs/dbraw/zinc/53/64/64/559536464.db2.gz BSXKZWXHQKCTBB-LBPRGKRZSA-N 1 0 362.499 2.408 20 30 FEEDRO CC(C)NC(=O)c1cnn2c1C[C@@H](C[NH2+]Cc1ccc(C#N)c(F)c1)CC2 ZINC000421394772 559540962 /nfs/dbraw/zinc/54/09/62/559540962.db2.gz PVODWTCHMYLOJO-HNNXBMFYSA-N 1 0 369.444 2.384 20 30 FEEDRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)C(=O)NCC(C)(C)CC#N)CC1 ZINC000422299241 559576689 /nfs/dbraw/zinc/57/66/89/559576689.db2.gz LZTKSBBIRLYBMJ-MRXNPFEDSA-N 1 0 370.497 2.384 20 30 FEEDRO C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000422544943 559594093 /nfs/dbraw/zinc/59/40/93/559594093.db2.gz REIZGGCPWOXOGD-PMACEKPBSA-N 1 0 369.509 2.377 20 30 FEEDRO CCOc1cc2c(cc1[C@@H]1C[C@@H]1NC(=O)[C@@H]([NH3+])CCCC#N)O[C@@H](C)C2 ZINC000424135186 559655817 /nfs/dbraw/zinc/65/58/17/559655817.db2.gz JANBBYMSYYGDGF-CSFVBSKPSA-N 1 0 357.454 2.402 20 30 FEEDRO N#CCCC[C@H]([NH3+])C(=O)N1CCC[C@H](NC(=O)c2cc3ccccc3o2)C1 ZINC000424141383 559655852 /nfs/dbraw/zinc/65/58/52/559655852.db2.gz UCQLFNKHSKJXHA-HOTGVXAUSA-N 1 0 368.437 2.175 20 30 FEEDRO N#CCCC[C@H]([NH3+])C(=O)N1CCO[C@H](c2cccc(OC(F)F)c2)C1 ZINC000424167173 559656494 /nfs/dbraw/zinc/65/64/94/559656494.db2.gz GWSJXHUAYMMENK-GJZGRUSLSA-N 1 0 353.369 2.209 20 30 FEEDRO C[C@@H]1CC2(CN1C(=O)C(=O)N[C@H](CCC#N)c1ccccc1)CC[NH2+]CC2 ZINC000424531477 559668480 /nfs/dbraw/zinc/66/84/80/559668480.db2.gz WZNXAMLZDAYMOP-SJLPKXTDSA-N 1 0 368.481 2.138 20 30 FEEDRO C[C@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000425378409 559698687 /nfs/dbraw/zinc/69/86/87/559698687.db2.gz BGZHHFXYMKHCTB-MNEFBYGVSA-N 1 0 368.481 2.020 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)NCCNC(=O)CCCc2ccccc2)CC1 ZINC000425447317 559702670 /nfs/dbraw/zinc/70/26/70/559702670.db2.gz GYOMXYBANAZJRJ-UHFFFAOYSA-N 1 0 372.513 2.075 20 30 FEEDRO CCOC(=O)[C@H]1CCCCN1C(=O)CN(C)[C@H](C)c1cccc(C#N)c1 ZINC000425543032 559708810 /nfs/dbraw/zinc/70/88/10/559708810.db2.gz RKKKNOUTYMHTPU-CRAIPNDOSA-N 1 0 357.454 2.495 20 30 FEEDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N(C)[C@@H](C)c2cccc(C#N)c2)C1 ZINC000425886184 559723975 /nfs/dbraw/zinc/72/39/75/559723975.db2.gz PWMLZQNOXNQJJV-WMZOPIPTSA-N 1 0 370.497 2.314 20 30 FEEDRO CC1CC[NH+](C[C@@H](O)CNC(=O)Nc2ccc(C#N)cc2Cl)CC1 ZINC000426125449 559729875 /nfs/dbraw/zinc/72/98/75/559729875.db2.gz DUYVGMQBJRNJNF-AWEZNQCLSA-N 1 0 350.850 2.426 20 30 FEEDRO Cc1cccc(C)c1OC[C@@H](O)C[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000428818569 559784118 /nfs/dbraw/zinc/78/41/18/559784118.db2.gz NOUOXLAKYLSOEF-RBUKOAKNSA-N 1 0 367.449 2.463 20 30 FEEDRO Cc1cccc(N2CC[NH+](CCCNC(=O)c3ccc(C#N)o3)CC2)c1 ZINC000429871009 559807618 /nfs/dbraw/zinc/80/76/18/559807618.db2.gz SXVPIFRQFJJUFS-UHFFFAOYSA-N 1 0 352.438 2.402 20 30 FEEDRO N#CCCn1ncc(C(=O)NCCNc2cc[nH+]cc2)c1-c1ccccc1 ZINC000430668858 559826001 /nfs/dbraw/zinc/82/60/01/559826001.db2.gz YKVWQPMKLOYBHO-UHFFFAOYSA-N 1 0 360.421 2.123 20 30 FEEDRO COc1c[nH+]ccc1N1CCN(C(=O)Nc2ccc(F)cc2C#N)CC1 ZINC000432233257 559854591 /nfs/dbraw/zinc/85/45/91/559854591.db2.gz TZFFZTCNGFRKTB-UHFFFAOYSA-N 1 0 355.373 2.455 20 30 FEEDRO C=CCSCCNC(=O)C(=O)Nc1cccc2c1OCC[C@@H]2[NH+](C)C ZINC000434598026 559903359 /nfs/dbraw/zinc/90/33/59/559903359.db2.gz SQALUOQQJHVCPC-HNNXBMFYSA-N 1 0 363.483 2.046 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cc(C3(C)CCCC3)on2)CC1 ZINC000434606765 559903419 /nfs/dbraw/zinc/90/34/19/559903419.db2.gz MTLPDMVTIGTDHX-UHFFFAOYSA-N 1 0 374.485 2.602 20 30 FEEDRO CS(=O)(=O)NC[C@@H]1CCC[N@H+](Cc2cccc(OCCCC#N)c2)C1 ZINC000435770856 559929833 /nfs/dbraw/zinc/92/98/33/559929833.db2.gz RGXPOLSAZLPIQQ-KRWDZBQOSA-N 1 0 365.499 2.130 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NC[C@H](C(CC)CC)[NH+]1CCOCC1 ZINC000437626280 559966999 /nfs/dbraw/zinc/96/69/99/559966999.db2.gz IIGIBKNPQZMBHC-QRVBRYPASA-N 1 0 367.534 2.404 20 30 FEEDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)N=c2ccn(CCC#N)[nH]2)C1 ZINC000438334681 559977531 /nfs/dbraw/zinc/97/75/31/559977531.db2.gz MPMRZHSGGLLDLX-DOTOQJQBSA-N 1 0 352.442 2.754 20 30 FEEDRO C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)Nc1ccccc1SCCC#N ZINC000439356064 559992894 /nfs/dbraw/zinc/99/28/94/559992894.db2.gz UJYJTPUFVZTGOQ-CQSZACIVSA-N 1 0 360.483 2.183 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1ccc(F)c(C2CC2)c1 ZINC000439849239 560000828 /nfs/dbraw/zinc/00/08/28/560000828.db2.gz YMDLNXAGJQLJLD-UHFFFAOYSA-N 1 0 360.433 2.336 20 30 FEEDRO CC1(c2ccc(Br)cc2)CC[NH+](CC(=O)NCC#N)CC1 ZINC000440516239 560013432 /nfs/dbraw/zinc/01/34/32/560013432.db2.gz OEKMEMQKQXADAC-UHFFFAOYSA-N 1 0 350.260 2.442 20 30 FEEDRO N#Cc1ccc(CCC(=O)NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000440518577 560013565 /nfs/dbraw/zinc/01/35/65/560013565.db2.gz JTKUVMDJXYXPDU-QFIPXVFZSA-N 1 0 363.461 2.244 20 30 FEEDRO C=CCN(C(=O)C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1)C1CC1 ZINC000442400611 560050652 /nfs/dbraw/zinc/05/06/52/560050652.db2.gz IZOZZNFHOICWNW-UHFFFAOYSA-N 1 0 373.522 2.393 20 30 FEEDRO N#C[C@H]1CCC[C@@H]([NH2+]CCNS(=O)(=O)c2ccc(Cl)cc2F)C1 ZINC000442874202 560060381 /nfs/dbraw/zinc/06/03/81/560060381.db2.gz MCJCOCRLGINIQU-WCQYABFASA-N 1 0 359.854 2.429 20 30 FEEDRO CC(C)[C@H](C#N)N1CCN(C(=O)C[NH2+][C@@H](CC(F)(F)F)C(C)C)CC1 ZINC000445904201 560136564 /nfs/dbraw/zinc/13/65/64/560136564.db2.gz OQMVFGYJTPRWBE-GJZGRUSLSA-N 1 0 362.440 2.245 20 30 FEEDRO C=CCNC(=O)Nc1ccc(NC(=O)[C@]2([NH3+])[C@H]3CCCO[C@H]3C2(C)C)cc1 ZINC000446386980 560145447 /nfs/dbraw/zinc/14/54/47/560145447.db2.gz UPRMPQSUJSFQJT-RZQQEMMASA-N 1 0 372.469 2.465 20 30 FEEDRO CCN(C[C@H](C)C#N)C(=O)C[N@H+](Cc1ccccc1)C[C@]1(O)CCO[C@H]1C ZINC000447922456 560173039 /nfs/dbraw/zinc/17/30/39/560173039.db2.gz AOJDJVYNKJRSBK-LVCYWYKZSA-N 1 0 373.497 2.037 20 30 FEEDRO C[NH+](C)CC(C)(C)CNC(=O)COc1cccc(Br)c1C#N ZINC000449067945 560214884 /nfs/dbraw/zinc/21/48/84/560214884.db2.gz PHBQJQAQMLWGGF-UHFFFAOYSA-N 1 0 368.275 2.404 20 30 FEEDRO C=CCOc1ccc(C(=O)N2C[C@@H](C[NH3+])C3(C2)CCOCC3)cc1OC ZINC000449690038 560236952 /nfs/dbraw/zinc/23/69/52/560236952.db2.gz MWLWPOHMPXUPAA-MRXNPFEDSA-N 1 0 360.454 2.088 20 30 FEEDRO Cc1[nH]c(C#N)cc1C(=O)Nc1ccc(OCCN2CC[NH+](C)CC2)cc1 ZINC000449992947 560247637 /nfs/dbraw/zinc/24/76/37/560247637.db2.gz ZZAZJZBKCINWJK-UHFFFAOYSA-N 1 0 367.453 2.073 20 30 FEEDRO C=CCC1(C(=O)N2CCC(O)(C[NH+]3CCOCC3)CC2)CCCCC1 ZINC000450366942 560260044 /nfs/dbraw/zinc/26/00/44/560260044.db2.gz AMRYFMAYDMQNQT-UHFFFAOYSA-N 1 0 350.503 2.199 20 30 FEEDRO C=CC[N@H+](C[C@@H]1CCNC(=O)CC1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000450392705 560261038 /nfs/dbraw/zinc/26/10/38/560261038.db2.gz NPXLCJWHWKLBFV-CVEARBPZSA-N 1 0 354.458 2.128 20 30 FEEDRO N#Cc1cc2c(nc1N1CCC(CCC[NH+]3CCOCC3)CC1)CCOC2 ZINC000450429512 560261969 /nfs/dbraw/zinc/26/19/69/560261969.db2.gz LOWOMQRHZHFWDK-UHFFFAOYSA-N 1 0 370.497 2.355 20 30 FEEDRO C[N@@H+]1CCN(C(=O)COc2ccc(C#N)c(Br)c2)C(C)(C)C1 ZINC000450520137 560264956 /nfs/dbraw/zinc/26/49/56/560264956.db2.gz UMKZSTWTHSLGAI-UHFFFAOYSA-N 1 0 366.259 2.252 20 30 FEEDRO C[C@H](c1ccccc1)[C@H](O)CN1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000450615932 560268065 /nfs/dbraw/zinc/26/80/65/560268065.db2.gz QDGIKWNMMUDTAH-LXGVVRJTSA-N 1 0 361.445 2.496 20 30 FEEDRO Cc1cc([C@@H](C)[NH2+]CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)ccc1F ZINC000451164645 560290757 /nfs/dbraw/zinc/29/07/57/560290757.db2.gz STKIGAWQLFGWTP-VQIMIIECSA-N 1 0 360.477 2.477 20 30 FEEDRO COC[C@@]1(C(=O)OC)CC[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000451338429 560301229 /nfs/dbraw/zinc/30/12/29/560301229.db2.gz SQFDUMPZKQBYLY-QGZVFWFLSA-N 1 0 371.355 2.448 20 30 FEEDRO COc1cc(C#N)ccc1OCC[NH2+]C(C)(C)c1nnc2n1CCCC2 ZINC000451404753 560304834 /nfs/dbraw/zinc/30/48/34/560304834.db2.gz PBYZJWFJGSXKQY-UHFFFAOYSA-N 1 0 355.442 2.398 20 30 FEEDRO COc1cccc(CN(CC[NH+](C)C)S(=O)(=O)CC2(CC#N)CC2)c1 ZINC000451451252 560307960 /nfs/dbraw/zinc/30/79/60/560307960.db2.gz CQUBRKQCTDUKGP-UHFFFAOYSA-N 1 0 365.499 2.082 20 30 FEEDRO CC(C)[C@H](CO)[C@@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)C(C)C ZINC000451597718 560316753 /nfs/dbraw/zinc/31/67/53/560316753.db2.gz NBBHKEBCWHDIPL-ROUUACIJSA-N 1 0 352.500 2.211 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]CC(=O)Nc1cccc(C(=O)N(CC)CC)c1 ZINC000451677694 560321619 /nfs/dbraw/zinc/32/16/19/560321619.db2.gz HBHMQDAGQGVBDE-MSOLQXFVSA-N 1 0 359.470 2.430 20 30 FEEDRO CC(C)(C)CC(C)(C)[NH+]1CCN(S(=O)(=O)c2cccnc2C#N)CC1 ZINC000452012242 560345230 /nfs/dbraw/zinc/34/52/30/560345230.db2.gz IANSQSFGYVEAKT-UHFFFAOYSA-N 1 0 364.515 2.474 20 30 FEEDRO C=CCn1c([C@@H]2CCCCO2)nnc1N1CC[N@H+](CCOC)[C@@H](CC)C1 ZINC000453438653 560386633 /nfs/dbraw/zinc/38/66/33/560386633.db2.gz KQOROEOKUYCHRQ-IRXDYDNUSA-N 1 0 363.506 2.253 20 30 FEEDRO C=C(C)Cn1c([C@H]2CCCO2)nnc1N1CC[N@@H+](CCOCC)[C@H](C)C1 ZINC000453459613 560387299 /nfs/dbraw/zinc/38/72/99/560387299.db2.gz CRLXNDVWAUOPAB-IAGOWNOFSA-N 1 0 363.506 2.253 20 30 FEEDRO C=C(C)Cn1c(-c2nnn(C)c2C)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC000453458743 560387322 /nfs/dbraw/zinc/38/73/22/560387322.db2.gz KSHIAHNNYWFFIN-MRXNPFEDSA-N 1 0 372.521 2.126 20 30 FEEDRO C[NH+](C)[C@H]1CCc2cc(NC(=O)C(=O)NCc3cccc(C#N)c3)ccc21 ZINC000453570446 560389024 /nfs/dbraw/zinc/38/90/24/560389024.db2.gz KPWSHXOMSGUOQS-IBGZPJMESA-N 1 0 362.433 2.362 20 30 FEEDRO Cc1cc(C#N)cc(NC(=O)C(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC000453587689 560389813 /nfs/dbraw/zinc/38/98/13/560389813.db2.gz BUUALQYITFMWLW-HOTGVXAUSA-N 1 0 356.470 2.289 20 30 FEEDRO C[C@@H]1CCC[C@@](CNC(=O)C(=O)Nc2cccc(CC#N)c2)([NH+](C)C)C1 ZINC000453600444 560390503 /nfs/dbraw/zinc/39/05/03/560390503.db2.gz FGDHTXIDRWBNJT-FOIQADDNSA-N 1 0 356.470 2.318 20 30 FEEDRO Cc1cc(C#N)cc(NC(=O)C(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)c1 ZINC000453611091 560391182 /nfs/dbraw/zinc/39/11/82/560391182.db2.gz ZARQWRHTZHJKQK-SFHVURJKSA-N 1 0 368.412 2.363 20 30 FEEDRO C[C@@H](CNC(=O)C(=O)Nc1ccc(CC#N)cc1Cl)C[NH+]1CCCC1 ZINC000453619983 560391614 /nfs/dbraw/zinc/39/16/14/560391614.db2.gz WSCGEQQAJNVEAD-ZDUSSCGKSA-N 1 0 362.861 2.193 20 30 FEEDRO N#CCc1cccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)c1 ZINC000453659157 560394189 /nfs/dbraw/zinc/39/41/89/560394189.db2.gz OTCMDTDCWPVBST-GOSISDBHSA-N 1 0 354.454 2.072 20 30 FEEDRO C[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2cccc(CC#N)c2)[C@H]1c1ccccc1 ZINC000453686231 560396695 /nfs/dbraw/zinc/39/66/95/560396695.db2.gz DNEKUUKQKZYBLM-RTBURBONSA-N 1 0 362.433 2.253 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1NC(=O)C(=O)Nc1cccc(C[NH+](CC)CC)c1 ZINC000453943793 560415313 /nfs/dbraw/zinc/41/53/13/560415313.db2.gz JERKZYDGBOUEFZ-MSOLQXFVSA-N 1 0 359.470 2.317 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H](C)C(=O)NCCc2ccccc2)CC1 ZINC000454455456 560445176 /nfs/dbraw/zinc/44/51/76/560445176.db2.gz CDGNPVIEHQFREC-QGZVFWFLSA-N 1 0 372.513 2.074 20 30 FEEDRO CC(C)(C[NH+]1CCCC1)NC(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 ZINC000455109228 560470454 /nfs/dbraw/zinc/47/04/54/560470454.db2.gz XSBSCIGMNABCTB-UHFFFAOYSA-N 1 0 370.432 2.879 20 30 FEEDRO C=C(CC)CNC(=O)N1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000455521747 560485633 /nfs/dbraw/zinc/48/56/33/560485633.db2.gz LJZOVRGDNJUNPS-UHFFFAOYSA-N 1 0 360.502 2.425 20 30 FEEDRO Cc1cc(C#N)cc(NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)c1 ZINC000455953092 560501755 /nfs/dbraw/zinc/50/17/55/560501755.db2.gz JSGZVPDHLOLZRO-AYHJJNSGSA-N 1 0 369.469 2.072 20 30 FEEDRO C[NH+](C)CC(C)(C)NC(=O)COc1cccc(Br)c1C#N ZINC000457245515 560557949 /nfs/dbraw/zinc/55/79/49/560557949.db2.gz RLJDNGRRGVZXLM-UHFFFAOYSA-N 1 0 354.248 2.156 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000457380543 560564359 /nfs/dbraw/zinc/56/43/59/560564359.db2.gz BNEFHHSJIQUQNH-SFTDATJTSA-N 1 0 371.525 2.292 20 30 FEEDRO C[C@@H](Cc1cnn(C)c1)C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000457694412 560582074 /nfs/dbraw/zinc/58/20/74/560582074.db2.gz PYJGSIGSFCXWQX-KRWDZBQOSA-N 1 0 365.481 2.273 20 30 FEEDRO CCO[C@H]1C[C@@H](NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000459204250 560674120 /nfs/dbraw/zinc/67/41/20/560674120.db2.gz VYLPFYUROXIDDF-KDURUIRLSA-N 1 0 356.470 2.343 20 30 FEEDRO CC(C)(CC#N)CNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000459257791 560676526 /nfs/dbraw/zinc/67/65/26/560676526.db2.gz KOROTWYWFAFNNR-ZWKOTPCHSA-N 1 0 358.486 2.108 20 30 FEEDRO COc1c[nH+]ccc1N1CCN(Cc2c(C#N)cccc2[N+](=O)[O-])CC1 ZINC000459441610 560686591 /nfs/dbraw/zinc/68/65/91/560686591.db2.gz KXXGOUPWKJXBGK-UHFFFAOYSA-N 1 0 353.382 2.192 20 30 FEEDRO CC[C@@H]1OCC[C@H]1[NH2+]CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000459766424 560706887 /nfs/dbraw/zinc/70/68/87/560706887.db2.gz DPPDBPPHGXVQNZ-CVEARBPZSA-N 1 0 354.372 2.330 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)C(=O)N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000459863235 560714554 /nfs/dbraw/zinc/71/45/54/560714554.db2.gz FNPUWNQWIZNDQU-MRXNPFEDSA-N 1 0 363.527 2.453 20 30 FEEDRO CCCN(CCN1CC[NH+](CC)CC1)C(=O)NCc1ccc(C#N)cc1 ZINC000460165339 560736872 /nfs/dbraw/zinc/73/68/72/560736872.db2.gz CIVOLQVSUPEGQM-UHFFFAOYSA-N 1 0 357.502 2.117 20 30 FEEDRO C=C(C)Cn1c(-c2ccoc2)nnc1N1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000460796507 560752180 /nfs/dbraw/zinc/75/21/80/560752180.db2.gz VJOFLECZLJSORZ-SFHVURJKSA-N 1 0 370.501 2.330 20 30 FEEDRO CC[NH+](CC)CCSCC(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C ZINC000461736537 560780857 /nfs/dbraw/zinc/78/08/57/560780857.db2.gz ZKDWWYMSGYIGAQ-UHFFFAOYSA-N 1 0 372.498 2.461 20 30 FEEDRO C[NH+](C)CC1(CNC(=O)N2CC(Oc3ccc(C#N)cc3)C2)CCCC1 ZINC000461940569 560788949 /nfs/dbraw/zinc/78/89/49/560788949.db2.gz KVRJUPLRSDRUPG-UHFFFAOYSA-N 1 0 356.470 2.453 20 30 FEEDRO COCC[N@H+](C)CCCC1CCN(C(=O)N[C@@H]2CCC[C@@H]2C#N)CC1 ZINC000461964908 560790035 /nfs/dbraw/zinc/79/00/35/560790035.db2.gz WMCTWISTPICAOV-QZTJIDSGSA-N 1 0 350.507 2.459 20 30 FEEDRO N#Cc1cc(Cl)ccc1S(=O)(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000462287537 560804618 /nfs/dbraw/zinc/80/46/18/560804618.db2.gz HUUZXHKLFZXYTQ-HNNXBMFYSA-N 1 0 353.875 2.461 20 30 FEEDRO C[NH+](C)CCN(Cc1ccccn1)C(=O)NCCc1cccc(C#N)c1 ZINC000466825684 560896833 /nfs/dbraw/zinc/89/68/33/560896833.db2.gz YIOVKRPEOSFBFP-UHFFFAOYSA-N 1 0 351.454 2.269 20 30 FEEDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2c(F)cc(C#N)cc2F)C[C@H]1C ZINC000467155407 560905076 /nfs/dbraw/zinc/90/50/76/560905076.db2.gz OIGPZRUKMXWBAX-YPMHNXCESA-N 1 0 357.426 2.330 20 30 FEEDRO C=CCN1CC[C@@H]([N@H+](C)Cc2ccc(OCc3noc(C)n3)cc2)C1=O ZINC000467522129 560911914 /nfs/dbraw/zinc/91/19/14/560911914.db2.gz UGPHCLFBBDMUMR-QGZVFWFLSA-N 1 0 356.426 2.176 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)NCCCc2ccc3c(c2)OCCO3)CC1 ZINC000467957881 560920249 /nfs/dbraw/zinc/92/02/49/560920249.db2.gz ICERHXIGCXDPMN-UHFFFAOYSA-N 1 0 359.470 2.340 20 30 FEEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)COc1ccc(O)cc1 ZINC000468708280 560936665 /nfs/dbraw/zinc/93/66/65/560936665.db2.gz WRKINPXPNXUPKE-UHFFFAOYSA-N 1 0 353.422 2.233 20 30 FEEDRO COc1ccnc(CC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1 ZINC000469558509 560958159 /nfs/dbraw/zinc/95/81/59/560958159.db2.gz LUQAISKXRICNBG-UHFFFAOYSA-N 1 0 352.438 2.095 20 30 FEEDRO C[NH+](C)C1CN(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)C1 ZINC000470543675 560984260 /nfs/dbraw/zinc/98/42/60/560984260.db2.gz OAYXGJIZUCQTCO-UHFFFAOYSA-N 1 0 355.442 2.047 20 30 FEEDRO C[NH+]1CCC(NC(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)CC1 ZINC000470560637 560984589 /nfs/dbraw/zinc/98/45/89/560984589.db2.gz LQABHOPIUFKJTD-UHFFFAOYSA-N 1 0 369.469 2.485 20 30 FEEDRO C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CCN(C)C[C@@H]2C(C)C)c(OC)c1 ZINC000471211255 561000671 /nfs/dbraw/zinc/00/06/71/561000671.db2.gz ILBPLRQUQQWPMM-RBUKOAKNSA-N 1 0 362.514 2.435 20 30 FEEDRO C=CCOc1cccc(NC(=O)C(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)c1 ZINC000473296418 561046904 /nfs/dbraw/zinc/04/69/04/561046904.db2.gz ZYPVVNJWNFQLKK-QGZVFWFLSA-N 1 0 371.481 2.380 20 30 FEEDRO N#Cc1ccc([C@H](C(N)=O)N2CCC(O)(Cc3cccc(F)c3)CC2)cc1 ZINC000473439000 561050016 /nfs/dbraw/zinc/05/00/16/561050016.db2.gz DMZJUDYZGVOLQC-LJQANCHMSA-N 1 0 367.424 2.293 20 30 FEEDRO C[NH+](C)[C@H](CNS(=O)(=O)c1ccc(F)c(C#N)c1)C1CCCCC1 ZINC000473909287 561060556 /nfs/dbraw/zinc/06/05/56/561060556.db2.gz AJTPEWISKHJPGD-QGZVFWFLSA-N 1 0 353.463 2.486 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)NC[C@H]1CCCN(C(C)=O)C1)C(C)C ZINC000474053340 561064442 /nfs/dbraw/zinc/06/44/42/561064442.db2.gz CWZIWFIUFAXNTO-RTBURBONSA-N 1 0 364.534 2.243 20 30 FEEDRO CC[NH+](CC)[C@@H](CNC(=O)c1cnn(C)c1C#N)c1cccc(OC)c1 ZINC000474436895 561074106 /nfs/dbraw/zinc/07/41/06/561074106.db2.gz WLTSNVAVZCLERA-SFHVURJKSA-N 1 0 355.442 2.113 20 30 FEEDRO CC(C)[C@@H](CNC(=O)c1cnn(C)c1C#N)[N@@H+]1CCc2ccccc2C1 ZINC000474779442 561082689 /nfs/dbraw/zinc/08/26/89/561082689.db2.gz GWVPJTDAZQFDQF-LJQANCHMSA-N 1 0 351.454 2.104 20 30 FEEDRO C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCC1(O)CC[NH+](C)CC1 ZINC000474979473 561086720 /nfs/dbraw/zinc/08/67/20/561086720.db2.gz YHPAMCVOGXFRGV-UHFFFAOYSA-N 1 0 372.387 2.457 20 30 FEEDRO COc1cccc([C@@H]2[C@@H](NC(=O)c3cnn(C)c3C#N)CC[N@@H+]2C2CC2)c1 ZINC000476603772 561124078 /nfs/dbraw/zinc/12/40/78/561124078.db2.gz WIZBGUFFHFPNLR-PKOBYXMFSA-N 1 0 365.437 2.008 20 30 FEEDRO C=CCn1c(-c2ccc[nH]2)nnc1N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000528292746 562321295 /nfs/dbraw/zinc/32/12/95/562321295.db2.gz AEGRLLNPJYTKLG-UHFFFAOYSA-N 1 0 356.474 2.150 20 30 FEEDRO Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000528294341 562321344 /nfs/dbraw/zinc/32/13/44/562321344.db2.gz QOLWZIQXPGKEPK-UHFFFAOYSA-N 1 0 366.469 2.045 20 30 FEEDRO N#Cc1ccccc1OC[C@H](O)CN1CCO[C@@H](Cc2ccccc2)C1 ZINC000528436289 562329202 /nfs/dbraw/zinc/32/92/02/562329202.db2.gz AYGKCKDWWPKRPF-UXHICEINSA-N 1 0 352.434 2.241 20 30 FEEDRO N#Cc1ccccc1OC[C@@H](O)C[NH+]1CCC(O)(c2ccccc2)CC1 ZINC000528449948 562330015 /nfs/dbraw/zinc/33/00/15/562330015.db2.gz JUBYQMJRRGCKCI-IBGZPJMESA-N 1 0 352.434 2.282 20 30 FEEDRO N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000528454155 562330192 /nfs/dbraw/zinc/33/01/92/562330192.db2.gz YCEDCTMVCRDLJK-WIYYLYMNSA-N 1 0 350.418 2.429 20 30 FEEDRO COC1CC[NH+](C2(CNC(=O)Cc3ccc(C#N)nc3)CCCC2)CC1 ZINC000528475110 562331252 /nfs/dbraw/zinc/33/12/52/562331252.db2.gz PMJKDRINYJHWJC-UHFFFAOYSA-N 1 0 356.470 2.036 20 30 FEEDRO N#Cc1cc(S(=O)(=O)NC[C@H]2CC[N@@H+]2C2CCCCC2)ccc1F ZINC000528476816 562331337 /nfs/dbraw/zinc/33/13/37/562331337.db2.gz NCFSFJUVLZGPAC-OAHLLOKOSA-N 1 0 351.447 2.383 20 30 FEEDRO COc1cccc2c1CC[N@H+](C[C@@H](O)COc1ccccc1C#N)CC2 ZINC000528480830 562331472 /nfs/dbraw/zinc/33/14/72/562331472.db2.gz KTJXOWYHJHUOCI-GOSISDBHSA-N 1 0 352.434 2.407 20 30 FEEDRO CN1CC[C@H]([NH2+]CC#CCN2C(=O)c3ccccc3C2=O)[C@H]1c1ccccc1 ZINC000528495708 562332263 /nfs/dbraw/zinc/33/22/63/562332263.db2.gz ZPMZRGOCRRDNSZ-LEWJYISDSA-N 1 0 373.456 2.321 20 30 FEEDRO N#Cc1ccccc1OC[C@H](O)C[NH+]1CCC(CO)(c2ccccc2)CC1 ZINC000528510640 562333238 /nfs/dbraw/zinc/33/32/38/562333238.db2.gz DJGUISIXCGITCR-HXUWFJFHSA-N 1 0 366.461 2.324 20 30 FEEDRO C[N@@H+]1CCN(C[C@@H](O)COc2ccccc2C#N)[C@H](Cc2ccccc2)C1 ZINC000528535419 562334821 /nfs/dbraw/zinc/33/48/21/562334821.db2.gz UYIOOQDMRWLBDQ-NHCUHLMSSA-N 1 0 365.477 2.157 20 30 FEEDRO N#Cc1ccccc1OC[C@@H](O)CN1CCC[C@](C#N)(c2ccccn2)C1 ZINC000528548602 562335441 /nfs/dbraw/zinc/33/54/41/562335441.db2.gz JOCFIUHMMMNCGD-GHTZIAJQSA-N 1 0 362.433 2.250 20 30 FEEDRO N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@@](O)(c2ccccc2)C1 ZINC000528658517 562340628 /nfs/dbraw/zinc/34/06/28/562340628.db2.gz PQYKBMBJYVWPSK-FPOVZHCZSA-N 1 0 352.434 2.282 20 30 FEEDRO CN(C(=O)C[NH2+]C1(c2ccc(C#N)cc2)CCOCC1)c1nccs1 ZINC000528780400 562347292 /nfs/dbraw/zinc/34/72/92/562347292.db2.gz BXTFOFNDBNIVPY-UHFFFAOYSA-N 1 0 356.451 2.273 20 30 FEEDRO N#Cc1cccc(OC2CCN(C(=O)N[C@H]3CC[NH2+]C34CCC4)CC2)c1 ZINC000529368230 562371438 /nfs/dbraw/zinc/37/14/38/562371438.db2.gz UOBQDEADQCPTRL-SFHVURJKSA-N 1 0 354.454 2.396 20 30 FEEDRO CC1([NH+]2CCOCC2)CCN(C(=O)C2(c3cc(F)cc(C#N)c3)CC2)CC1 ZINC000529907865 562390517 /nfs/dbraw/zinc/39/05/17/562390517.db2.gz AKHNSOJGLAJBBM-UHFFFAOYSA-N 1 0 371.456 2.442 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2cc3c([nH]2)c(F)ccc3OC)c1C#N ZINC000530371545 562408622 /nfs/dbraw/zinc/40/86/22/562408622.db2.gz GGZOPBRIIAJSPZ-UHFFFAOYSA-N 1 0 370.388 2.315 20 30 FEEDRO C[C@@H]1C[NH+](CC2CCN(C(=O)Cc3cccc(C#N)c3)CC2)C[C@@H](C)O1 ZINC000530676267 562420213 /nfs/dbraw/zinc/42/02/13/562420213.db2.gz ULLZUCNIFYIXFP-IAGOWNOFSA-N 1 0 355.482 2.449 20 30 FEEDRO N#Cc1csc(C[NH2+]Cc2cccnc2N2CCC(C(N)=O)CC2)c1 ZINC000531117661 562435167 /nfs/dbraw/zinc/43/51/67/562435167.db2.gz YZELAVCOKAEZMG-UHFFFAOYSA-N 1 0 355.467 2.006 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)NC2CC[NH+](C3CCCC3)CC2)c(F)c1 ZINC000531141932 562436024 /nfs/dbraw/zinc/43/60/24/562436024.db2.gz ZKONRCDGAQLEQP-UHFFFAOYSA-N 1 0 351.447 2.383 20 30 FEEDRO C=C(C)CN(CC)C(=O)C[NH+]1CCC(C(=O)Nc2ccc(O)cc2)CC1 ZINC000532670599 562485164 /nfs/dbraw/zinc/48/51/64/562485164.db2.gz ASXAHISENRIRPF-UHFFFAOYSA-N 1 0 359.470 2.467 20 30 FEEDRO C=C(C)[C@H](CC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO)OCC ZINC000534185284 562527024 /nfs/dbraw/zinc/52/70/24/562527024.db2.gz LDUVQCRPYMSITJ-ZCNNSNEGSA-N 1 0 360.498 2.357 20 30 FEEDRO CS[C@@H]1CN(CC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@H]1[NH+](C)C ZINC000534951979 562546111 /nfs/dbraw/zinc/54/61/11/562546111.db2.gz PPOMYQQNWRFEAN-HUUCEWRRSA-N 1 0 352.891 2.128 20 30 FEEDRO N#Cc1ccc(-c2nnc(C[N@H+]3CCCC[C@H]3[C@@H]3CNC(=O)C3)o2)cc1 ZINC000536545415 562578690 /nfs/dbraw/zinc/57/86/90/562578690.db2.gz WGNULGXPFSRYEZ-HOTGVXAUSA-N 1 0 351.410 2.099 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(C)n([C@@H](C)C3CC3)n2)c1C#N ZINC000540819902 562593773 /nfs/dbraw/zinc/59/37/73/562593773.db2.gz MAGSWJOXEFUODI-LBPRGKRZSA-N 1 0 355.446 2.162 20 30 FEEDRO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000540962536 562598613 /nfs/dbraw/zinc/59/86/13/562598613.db2.gz FBRPDYTVRIMQON-DAYGRLMNSA-N 1 0 354.454 2.043 20 30 FEEDRO N#Cc1ccsc1NC(=O)C(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC000555901853 674380673 /nfs/dbraw/zinc/38/06/73/674380673.db2.gz GEKRRUYAUSOZRP-UHFFFAOYSA-N 1 0 360.483 2.283 20 30 FEEDRO N#C[C@H]1CN(C(=O)[C@@H]2CC[N@@H+]2C2CCCC2)CCN1Cc1ccccc1 ZINC000602099254 567926662 /nfs/dbraw/zinc/92/66/62/567926662.db2.gz ZAGPJKRHQHAKFV-PMACEKPBSA-N 1 0 352.482 2.240 20 30 FEEDRO CCc1c[nH]c(CC(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)n1 ZINC000602145521 567936667 /nfs/dbraw/zinc/93/66/67/567936667.db2.gz RUONSBJXLDEYQU-UHFFFAOYSA-N 1 0 351.454 2.189 20 30 FEEDRO CN(C(=O)c1ccc2[nH]c(=O)n(CC[NH+](C)C)c2c1)[C@@H]1CCC[C@H]1C#N ZINC000602196605 567950155 /nfs/dbraw/zinc/95/01/55/567950155.db2.gz PKUOOPYTGLFMAG-GOEBONIOSA-N 1 0 355.442 2.068 20 30 FEEDRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N2CCc3c(CC#N)cccc3C2)C1 ZINC000602232074 567957952 /nfs/dbraw/zinc/95/79/52/567957952.db2.gz ZIHCVFNXQSDDAN-IBGZPJMESA-N 1 0 370.497 2.177 20 30 FEEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H](O)CN1CCc2ccccc2C1 ZINC000602508425 567988962 /nfs/dbraw/zinc/98/89/62/567988962.db2.gz MNIOXDVIRBHQEE-YLJYHZDGSA-N 1 0 357.498 2.094 20 30 FEEDRO C[C@@H]1C[NH+](C[C@H](O)CO[C@@H]2CCCc3ccccc32)C[C@@H](C)N1CC#N ZINC000602858158 568002860 /nfs/dbraw/zinc/00/28/60/568002860.db2.gz ZPWLDUGLZZRQQO-PLOVASNDSA-N 1 0 357.498 2.360 20 30 FEEDRO CC(C)c1n[nH]c(CC2CC[NH+]([C@H](C)C(=O)NC3(C#N)CCC3)CC2)n1 ZINC000602866890 568008411 /nfs/dbraw/zinc/00/84/11/568008411.db2.gz TYBBHTHPXDMPDF-CQSZACIVSA-N 1 0 358.490 2.134 20 30 FEEDRO N#CCC1(CN2CCC[C@H](NS(=O)(=O)c3cccc(F)c3)C2)CC1 ZINC000602791026 568041315 /nfs/dbraw/zinc/04/13/15/568041315.db2.gz BTZQGEPLBKILPP-HNNXBMFYSA-N 1 0 351.447 2.262 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)n1cc(CSCC[NH3+])nn1 ZINC000603191617 568072148 /nfs/dbraw/zinc/07/21/48/568072148.db2.gz JMILNZXUGLQFHR-ZDUSSCGKSA-N 1 0 365.528 2.307 20 30 FEEDRO C[NH2+][C@@H](C)c1cn(CC(=O)Nc2ccccc2SC[C@H](C)C#N)nn1 ZINC000603214773 568076651 /nfs/dbraw/zinc/07/66/51/568076651.db2.gz DJKFEEQVAWWGAM-OLZOCXBDSA-N 1 0 358.471 2.449 20 30 FEEDRO CN1CCC(C#N)(NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000604521602 568308163 /nfs/dbraw/zinc/30/81/63/568308163.db2.gz JQBHOLKPAZABRE-UHFFFAOYSA-N 1 0 371.422 2.436 20 30 FEEDRO CC1(C)COC[C@@H]1NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000569320013 568375622 /nfs/dbraw/zinc/37/56/22/568375622.db2.gz DSRRQIKGZBNCKR-SFHVURJKSA-N 1 0 356.470 2.201 20 30 FEEDRO C[C@@H]1COCCN1C1CC[NH+](CCC(=O)Nc2sccc2C#N)CC1 ZINC000569588352 568408696 /nfs/dbraw/zinc/40/86/96/568408696.db2.gz LEQKYRUDHKCCFE-CQSZACIVSA-N 1 0 362.499 2.133 20 30 FEEDRO CC1(C)CN(C(=O)C2CC2)CC[N@@H+]1CCC(=O)Nc1cccc(C#N)c1 ZINC000569756825 568421351 /nfs/dbraw/zinc/42/13/51/568421351.db2.gz NWNQKKIXMFVMKN-UHFFFAOYSA-N 1 0 354.454 2.220 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1nn(C)c2ccccc2c1=O)C(C)C ZINC000604977844 568499217 /nfs/dbraw/zinc/49/92/17/568499217.db2.gz ARRSMQQNQKTGRU-GOSISDBHSA-N 1 0 368.481 2.362 20 30 FEEDRO N#Cc1ccnc(N[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2CO)c1Cl ZINC000557625276 674458006 /nfs/dbraw/zinc/45/80/06/674458006.db2.gz LFWMIIVJKSFAGI-SJORKVTESA-N 1 0 356.857 2.902 20 30 FEEDRO C[C@H]([NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1)C(=O)NC1(C#N)CCCCC1 ZINC000820413289 599389665 /nfs/dbraw/zinc/38/96/65/599389665.db2.gz PMNGLMNMYYUGRX-KBPBESRZSA-N 1 0 367.457 2.248 20 30 FEEDRO CCN(C[C@H](C)C#N)S(=O)(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000558781788 674515789 /nfs/dbraw/zinc/51/57/89/674515789.db2.gz AWEGDTGBCJDNPN-CZUORRHYSA-N 1 0 372.922 2.259 20 30 FEEDRO C[C@@H]([NH2+]CCC(=O)Nc1ccc(-c2nn[nH]n2)cc1)c1cccc(C#N)c1 ZINC000824584668 608487449 /nfs/dbraw/zinc/48/74/49/608487449.db2.gz DJYGWYNUIAGZDV-CYBMUJFWSA-N 1 0 361.409 2.418 20 30 FEEDRO C[C@@H]([NH2+]CC(=O)Nc1sccc1-c1nn[nH]n1)c1cccc(C#N)c1 ZINC000824564910 608488287 /nfs/dbraw/zinc/48/82/87/608488287.db2.gz YGRJFPVTWZXOBO-SNVBAGLBSA-N 1 0 353.411 2.089 20 30 FEEDRO C#CC[C@H]([NH2+]CC(=O)Nc1oc(C)c(C)c1-c1nn[nH]n1)c1ccccc1 ZINC000823838667 608518834 /nfs/dbraw/zinc/51/88/34/608518834.db2.gz SPLRPZCPUVQLQQ-HNNXBMFYSA-N 1 0 364.409 2.369 20 30 FEEDRO C=CCCCS(=O)(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000813664375 674766329 /nfs/dbraw/zinc/76/63/29/674766329.db2.gz KELOKGWCNSXOFC-UHFFFAOYSA-N 1 0 369.506 2.353 20 30 FEEDRO CC(=O)N1CCC[N@H+](C[C@H]2CCCN(c3snc(C)c3C#N)C2)CC1 ZINC000562701906 674789988 /nfs/dbraw/zinc/78/99/88/674789988.db2.gz IWPYQAPMDMBQNB-MRXNPFEDSA-N 1 0 361.515 2.094 20 30 FEEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)NCC1CC[NH2+]CC1 ZINC000562831830 674814692 /nfs/dbraw/zinc/81/46/92/674814692.db2.gz ZRDXTRUPDFQADP-UHFFFAOYSA-N 1 0 355.891 2.032 20 30 FEEDRO CC(=NOCCC1CC1)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000814247106 674828248 /nfs/dbraw/zinc/82/82/48/674828248.db2.gz RIPOLAZSVFJYGQ-UHFFFAOYSA-N 1 0 367.515 2.457 20 30 FEEDRO Cc1nnsc1C=NNC(=S)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000814213495 674826844 /nfs/dbraw/zinc/82/68/44/674826844.db2.gz MVXUFYOAZNICQG-UHFFFAOYSA-N 1 0 374.539 2.309 20 30 FEEDRO CCC[C@@H]1CNCCN1S(=O)(=O)c1cccc(Br)c1C#N ZINC000563133890 674848795 /nfs/dbraw/zinc/84/87/95/674848795.db2.gz FRWKGGVCPOQUAQ-LLVKDONJSA-N 1 0 372.288 2.083 20 30 FEEDRO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCC[C@@H](N2CCCC2=O)CC1 ZINC000563233149 674863121 /nfs/dbraw/zinc/86/31/21/674863121.db2.gz MSBXTNHHHFBBBB-OAHLLOKOSA-N 1 0 360.483 2.425 20 30 FEEDRO C#CC[N@H+](C)CCCNS(=O)(=O)c1ccc(C(=O)C(C)(C)C)cc1 ZINC000815082847 674914033 /nfs/dbraw/zinc/91/40/33/674914033.db2.gz HOKDKATZPUSGPM-UHFFFAOYSA-N 1 0 350.484 2.149 20 30 FEEDRO C=CC[N@@H+](C[C@@H]1CCCN(C(=O)CNC(=O)OC(C)(C)C)C1)C1CC1 ZINC000816568838 675065908 /nfs/dbraw/zinc/06/59/08/675065908.db2.gz ROTYKOPQINKQDT-HNNXBMFYSA-N 1 0 351.491 2.400 20 30 FEEDRO C=CCNC(=O)C(=O)Nc1ccc(N2CC[NH+](CCC)CC2)c(Cl)c1 ZINC000067316203 670456848 /nfs/dbraw/zinc/45/68/48/670456848.db2.gz KDLFGNQSXUQHCV-UHFFFAOYSA-N 1 0 364.877 2.113 20 30 FEEDRO C=C(C)CN(CC)C(=O)C(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000569681129 670595742 /nfs/dbraw/zinc/59/57/42/670595742.db2.gz PVMMAQROBSARLZ-INIZCTEOSA-N 1 0 351.878 2.484 20 30 FEEDRO CC[NH+]=C(NCC1CCSCC1)N1CCN(Cc2cc(C)on2)CC1 ZINC000086839053 670684370 /nfs/dbraw/zinc/68/43/70/670684370.db2.gz WISBIKOMBCLQCR-UHFFFAOYSA-N 1 0 365.547 2.209 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)NCCCNC(=O)OC(C)(C)C)CC1 ZINC000106270971 670810693 /nfs/dbraw/zinc/81/06/93/670810693.db2.gz KPRQJIAFCIHEIE-UHFFFAOYSA-N 1 0 354.495 2.241 20 30 FEEDRO N#Cc1ccc(-n2ccc(NC(=O)N3CCC[C@H](C[NH3+])C3)n2)c(Cl)c1 ZINC000571266045 670844952 /nfs/dbraw/zinc/84/49/52/670844952.db2.gz HJFNAQKKWCPSAT-CYBMUJFWSA-N 1 0 358.833 2.600 20 30 FEEDRO NC(C[NH+]1CCCCCC1)=NOCC(=O)NCCc1ccc(Cl)cc1 ZINC000111178776 670855607 /nfs/dbraw/zinc/85/56/07/670855607.db2.gz BMSQEMDSAFRSNO-UHFFFAOYSA-N 1 0 366.893 2.164 20 30 FEEDRO COc1ncc(C[NH2+]C[C@H](O)COc2ccc(CC#N)cc2)cc1Cl ZINC000571396322 670868030 /nfs/dbraw/zinc/86/80/30/670868030.db2.gz AKWSZZLAAPZJLI-HNNXBMFYSA-N 1 0 361.829 2.339 20 30 FEEDRO O=C(NCC[NH2+]Cc1cc(Br)ccc1F)C1N=CC=CC1=O ZINC000113361076 670884093 /nfs/dbraw/zinc/88/40/93/670884093.db2.gz JJDJYXFARWSPIT-PFONDFGASA-N 1 0 368.206 2.204 20 30 FEEDRO O=C(NCC[NH2+]Cc1cccc(Br)c1)C1N=CC=CC1=O ZINC000113360705 670884296 /nfs/dbraw/zinc/88/42/96/670884296.db2.gz AMKADNJLRRNALB-PFONDFGASA-N 1 0 350.216 2.065 20 30 FEEDRO C[NH+]=C(NC[C@@H](c1cccs1)N1CCOCC1)N1CCC(C)CC1 ZINC000114067667 670889267 /nfs/dbraw/zinc/88/92/67/670889267.db2.gz BERBDQUWCULRFP-INIZCTEOSA-N 1 0 350.532 2.429 20 30 FEEDRO C=CCC[C@@H](CO)[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000571921044 670940806 /nfs/dbraw/zinc/94/08/06/670940806.db2.gz WSISZKKVIXBLKC-KBPBESRZSA-N 1 0 362.239 2.245 20 30 FEEDRO N#CCCC1CC[NH+](CC(=O)N2CCN(Cc3ccsc3)CC2)CC1 ZINC000572118479 670963338 /nfs/dbraw/zinc/96/33/38/670963338.db2.gz PLLWABOUGVSAJP-UHFFFAOYSA-N 1 0 360.527 2.408 20 30 FEEDRO C[C@H]([NH2+]CC(=O)Nc1ccc(S(C)(=O)=O)cc1)c1ccc(C#N)cc1 ZINC000572224440 670975187 /nfs/dbraw/zinc/97/51/87/670975187.db2.gz RDFMOQHXJSKJBC-ZDUSSCGKSA-N 1 0 357.435 2.251 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2CC[C@@H](c3ccc(F)cc3)[C@H]([NH3+])C2)s1 ZINC000573700114 671154104 /nfs/dbraw/zinc/15/41/04/671154104.db2.gz WYAMYDOMWCEUKA-LSDHHAIUSA-N 1 0 365.455 2.264 20 30 FEEDRO C[NH+](C)CCN(Cc1ccccc1F)S(=O)(=O)CCC(C)(C)C#N ZINC000574656804 671265591 /nfs/dbraw/zinc/26/55/91/671265591.db2.gz PDJHPFZNECASAW-UHFFFAOYSA-N 1 0 355.479 2.459 20 30 FEEDRO C[C@@H](C[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)c1ccc(F)cc1F ZINC000574750044 671274346 /nfs/dbraw/zinc/27/43/46/671274346.db2.gz ISEHABIJGLCRNY-LBPRGKRZSA-N 1 0 365.405 2.398 20 30 FEEDRO C[C@@H]([NH2+]C[C@@H]1CCCCN1S(=O)(=O)N(C)C)c1ccc(C#N)cc1F ZINC000575020923 671293287 /nfs/dbraw/zinc/29/32/87/671293287.db2.gz IPVHGCKRMWVIFK-HIFRSBDPSA-N 1 0 368.478 2.009 20 30 FEEDRO C[C@H]([NH2+]C[C@@H]1CCCCN1S(=O)(=O)N(C)C)c1ccc(C#N)cc1F ZINC000575020925 671293377 /nfs/dbraw/zinc/29/33/77/671293377.db2.gz IPVHGCKRMWVIFK-ZFWWWQNUSA-N 1 0 368.478 2.009 20 30 FEEDRO N#Cc1cnn2cc(CN3CC[NH+](CCc4cccs4)CC3)cnc12 ZINC000575181566 671303673 /nfs/dbraw/zinc/30/36/73/671303673.db2.gz NEBMUTXVTGQYTQ-UHFFFAOYSA-N 1 0 352.467 2.023 20 30 FEEDRO C[NH+]1CCC(CNc2c(F)cc(C#N)cc2F)(N2CCOCC2)CC1 ZINC000576605368 671381270 /nfs/dbraw/zinc/38/12/70/671381270.db2.gz MGLNKRHOYZLLFP-UHFFFAOYSA-N 1 0 350.413 2.045 20 30 FEEDRO CCNC(=O)C[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000609144129 675911906 /nfs/dbraw/zinc/91/19/06/675911906.db2.gz MYXPTWKQNXBQCW-GFCCVEGCSA-N 1 0 362.499 2.141 20 30 FEEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CCN3C[C@H]4C[NH2+]C[C@@H]4C3)sc2C1 ZINC000609144214 675912192 /nfs/dbraw/zinc/91/21/92/675912192.db2.gz BMJGPRULJNAGQP-MGPQQGTHSA-N 1 0 358.511 2.224 20 30 FEEDRO N#CCCCCS(=O)(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000609543069 675925495 /nfs/dbraw/zinc/92/54/95/675925495.db2.gz FYNCHAAYVJDTIT-UHFFFAOYSA-N 1 0 365.499 2.274 20 30 FEEDRO CN(CCC#N)C[C@H](O)C[NH2+]CC1(c2ccccc2Br)CC1 ZINC000578499301 671669853 /nfs/dbraw/zinc/66/98/53/671669853.db2.gz ICQCAOZTUPARKY-CQSZACIVSA-N 1 0 366.303 2.277 20 30 FEEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(OCC2CCCCC2)CC1 ZINC000579191223 671717954 /nfs/dbraw/zinc/71/79/54/671717954.db2.gz PBEVJSNLWNHNNU-HNNXBMFYSA-N 1 0 351.491 2.448 20 30 FEEDRO C[N@@H+]1CCC[C@H](CNC(=O)COc2cccc(Br)c2C#N)C1 ZINC000579673471 671751983 /nfs/dbraw/zinc/75/19/83/671751983.db2.gz KPEMPFITVYQQGY-GFCCVEGCSA-N 1 0 366.259 2.158 20 30 FEEDRO CN(CCC#N)C[C@H](O)C[NH2+]C[C@H](c1cccc(Cl)c1)N1CCCC1 ZINC000580408013 671804442 /nfs/dbraw/zinc/80/44/42/671804442.db2.gz GTAJWTUQVOAULJ-RTBURBONSA-N 1 0 364.921 2.273 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(F)cc1F)S(=O)(=O)CC1(C#N)CCC1 ZINC000581422130 671894858 /nfs/dbraw/zinc/89/48/58/671894858.db2.gz UNAQDYOGAUVKQE-UHFFFAOYSA-N 1 0 371.453 2.352 20 30 FEEDRO C=CCOc1ccccc1C[NH2+]C[C@@H]1CCCCN1S(=O)(=O)N(C)C ZINC000582443592 672002171 /nfs/dbraw/zinc/00/21/71/672002171.db2.gz VVFOOLUDRRPSHI-KRWDZBQOSA-N 1 0 367.515 2.002 20 30 FEEDRO C#CCOc1ccc(Br)cc1C[NH2+]C[C@@H]1CCCS1(=O)=O ZINC000126724371 672027927 /nfs/dbraw/zinc/02/79/27/672027927.db2.gz YOJQUFGCAJOYGT-AWEZNQCLSA-N 1 0 372.284 2.128 20 30 FEEDRO Cc1nc(C)c(CNC(NCC(=O)N(C)C)=[NH+][C@@H]2CCCC[C@@H]2C)s1 ZINC000127802409 672041720 /nfs/dbraw/zinc/04/17/20/672041720.db2.gz CUYZUZGAMVIRJB-SWLSCSKDSA-N 1 0 365.547 2.462 20 30 FEEDRO CC(C)(C)[C@H]1OCCC[C@H]1C[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000582960070 672050205 /nfs/dbraw/zinc/05/02/05/672050205.db2.gz YJTVIKSRDYLMKQ-RDJZCZTQSA-N 1 0 365.499 2.158 20 30 FEEDRO CSC[C@H]1CCC[N@@H+]1CN1CC(=O)N(Cc2ccccc2C#N)C1=O ZINC000131004859 672082820 /nfs/dbraw/zinc/08/28/20/672082820.db2.gz OGRGGXCEAVNBGZ-MRXNPFEDSA-N 1 0 358.467 2.107 20 30 FEEDRO CCc1cccc(CC)c1NC(=[NH2+])NC[C@H]1CCC[C@@H]1NS(C)(=O)=O ZINC000134111853 672119812 /nfs/dbraw/zinc/11/98/12/672119812.db2.gz GWLYXINLHVOWOG-CVEARBPZSA-N 1 0 366.531 2.256 20 30 FEEDRO CN(C)[C@H](C[NH2+]CCS(=O)(=O)c1cccc(C#N)c1)C1CCCCC1 ZINC000583989343 672145021 /nfs/dbraw/zinc/14/50/21/672145021.db2.gz YCOMITPLFJKNQY-LJQANCHMSA-N 1 0 363.527 2.432 20 30 FEEDRO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCCC[C@@H]2CCNS(C)(=O)=O)cc1 ZINC000159401864 672281532 /nfs/dbraw/zinc/28/15/32/672281532.db2.gz SZUUXCQXECHQKD-NVXWUHKLSA-N 1 0 365.499 2.271 20 30 FEEDRO C[C@@H](CNC(=[NH2+])Nc1ccccc1OC(F)(F)F)CN1CCOCC1 ZINC000160723459 672293282 /nfs/dbraw/zinc/29/32/82/672293282.db2.gz YKJWXPJRQOGEOX-LBPRGKRZSA-N 1 0 360.380 2.280 20 30 FEEDRO C[C@@H]1C[NH+](CCC(=O)N(C)CCC#N)C[C@@H](C)N1C(=O)OC(C)(C)C ZINC000181569686 672428125 /nfs/dbraw/zinc/42/81/25/672428125.db2.gz HMLALIHZKQILRR-HUUCEWRRSA-N 1 0 352.479 2.078 20 30 FEEDRO C[N@H+]1C[C@H]2[C@@H](CCN2CCC(=O)Nc2sc3c(c2C#N)CCCC3)C1 ZINC000590010699 672554641 /nfs/dbraw/zinc/55/46/41/672554641.db2.gz BYSIAHYLNUKLTM-BBRMVZONSA-N 1 0 358.511 2.463 20 30 FEEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000591292272 672666681 /nfs/dbraw/zinc/66/66/81/672666681.db2.gz DQZKSQBESZXWPS-UONOGXRCSA-N 1 0 360.483 2.135 20 30 FEEDRO CC(C)(C)c1csc(NC(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)c1C#N ZINC000591304335 672667741 /nfs/dbraw/zinc/66/77/41/672667741.db2.gz DIMFJZHEPDWUAS-FZMZJTMJSA-N 1 0 360.483 2.066 20 30 FEEDRO CC(C)[C@@H](C[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)c1ccnn1C ZINC000591763483 672709096 /nfs/dbraw/zinc/70/90/96/672709096.db2.gz LKUPNIUCXHAAAK-QGZVFWFLSA-N 1 0 360.483 2.095 20 30 FEEDRO C[N@@H+]1CCC[C@H](CNC(=O)N2CC[C@](O)(CC#N)C2)[C@@H]1c1cccs1 ZINC000591965247 672727379 /nfs/dbraw/zinc/72/73/79/672727379.db2.gz HKOMVBRPCDTMJQ-QGPMSJSTSA-N 1 0 362.499 2.191 20 30 FEEDRO N#CCCC[C@H]([NH3+])C(=O)N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000592124398 672760879 /nfs/dbraw/zinc/76/08/79/672760879.db2.gz BJHSBABHKIALGU-ZFWWWQNUSA-N 1 0 365.275 2.165 20 30 FEEDRO CC[C@@H]1CN(S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)CC[C@@H]1[NH3+] ZINC000592382426 672795382 /nfs/dbraw/zinc/79/53/82/672795382.db2.gz MWWBGRAEXHPQDD-YGRLFVJLSA-N 1 0 361.389 2.325 20 30 FEEDRO C=CCN1C(=S)N=NC1c1sc(NC(=O)CC2([NH3+])CCC2)nc1C ZINC000237666232 672811238 /nfs/dbraw/zinc/81/12/38/672811238.db2.gz DWEYXHWVSTZRPI-UHFFFAOYSA-N 1 0 364.500 2.395 20 30 FEEDRO C=CCNC(=O)NC(=O)C[N@H+]1CCCCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000247279558 672848580 /nfs/dbraw/zinc/84/85/80/672848580.db2.gz XFYXUJDRFWGCRT-HUUCEWRRSA-N 1 0 365.499 2.428 20 30 FEEDRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1c(Cl)cc(C#N)cc1Cl ZINC000592870480 672849209 /nfs/dbraw/zinc/84/92/09/672849209.db2.gz FQEHFNHXNSRYBP-SNVBAGLBSA-N 1 0 369.252 2.057 20 30 FEEDRO N#C[C@H](c1cccs1)N1CCN(C(=O)C[N@@H+]2CCC23CCCC3)CC1 ZINC000593039411 672867172 /nfs/dbraw/zinc/86/71/72/672867172.db2.gz RYSMEFSYWCNRAY-MRXNPFEDSA-N 1 0 358.511 2.475 20 30 FEEDRO C[NH+]=C(NCc1ccc(OC(C)C)cc1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261660022 672900707 /nfs/dbraw/zinc/90/07/07/672900707.db2.gz AQIFMYWSDXPFEA-UHFFFAOYSA-N 1 0 367.515 2.058 20 30 FEEDRO CNC(=O)CC1CCN(C(NCc2cc(F)ccc2SC)=[NH+]C)CC1 ZINC000261702129 672901641 /nfs/dbraw/zinc/90/16/41/672901641.db2.gz GIPHDGUPCCTABX-UHFFFAOYSA-N 1 0 366.506 2.471 20 30 FEEDRO C[NH+]=C(NC[C@](C)(O)c1cccs1)N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000261744417 672902206 /nfs/dbraw/zinc/90/22/06/672902206.db2.gz MUZXURNZOBSENL-AZAGILFBSA-N 1 0 351.516 2.324 20 30 FEEDRO CC[NH+]=C(NCc1c[nH]nc1C)N(C)Cc1cc(Br)cn1C ZINC000261742269 672902329 /nfs/dbraw/zinc/90/23/29/672902329.db2.gz KTPUVQDXMSMNIO-UHFFFAOYSA-N 1 0 367.295 2.417 20 30 FEEDRO CC[NH+]=C(NCc1nnc2n1CCCCC2)N1CCS[C@@H](CC)C1 ZINC000261749188 672902539 /nfs/dbraw/zinc/90/25/39/672902539.db2.gz CBFNZFMBWMYXES-AWEZNQCLSA-N 1 0 350.536 2.297 20 30 FEEDRO CC[S@](=O)[C@@H]1CCC[C@H](NC(N[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)=[NH+]C)C1 ZINC000261859355 672904654 /nfs/dbraw/zinc/90/46/54/672904654.db2.gz YGXHOOBDSBTKDO-ZLFMQAKXSA-N 1 0 367.559 2.189 20 30 FEEDRO CC[NH+]=C(NCc1ccc(CC)s1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261936624 672905470 /nfs/dbraw/zinc/90/54/70/672905470.db2.gz COVOEDFBBCVARJ-UHFFFAOYSA-N 1 0 357.545 2.285 20 30 FEEDRO C[NH+]=C(NCC(=O)NCc1ccco1)N1CCSC2(CCCCC2)C1 ZINC000261968516 672906551 /nfs/dbraw/zinc/90/65/51/672906551.db2.gz QDFVPOILTCQUTN-UHFFFAOYSA-N 1 0 364.515 2.223 20 30 FEEDRO [NH2+]=C(NCc1cc(Cl)ccc1N1CCOCC1)N1CCSCC1 ZINC000262102997 672908938 /nfs/dbraw/zinc/90/89/38/672908938.db2.gz HRHUSPJYPYKBHL-UHFFFAOYSA-N 1 0 354.907 2.040 20 30 FEEDRO O=S1(=O)CC[C@H](CNC(=[NH+]C2CCCC2)N2CC[C@@H](C3CC3)C2)C1 ZINC000262431203 672915653 /nfs/dbraw/zinc/91/56/53/672915653.db2.gz SMYHQSYXRIXWOO-GDBMZVCRSA-N 1 0 353.532 2.041 20 30 FEEDRO CC[C@@H]1CN(C(NC[C@H]2CCS(=O)(=O)C2)=[NH+]C2CCCC2)CCS1 ZINC000262456447 672916432 /nfs/dbraw/zinc/91/64/32/672916432.db2.gz WULAFGASVRGKPP-GDBMZVCRSA-N 1 0 373.588 2.137 20 30 FEEDRO CCc1ccc(NC(=[NH2+])NC[C@H]2CCCC[C@H]2NS(C)(=O)=O)cc1 ZINC000262662355 672918618 /nfs/dbraw/zinc/91/86/18/672918618.db2.gz NFSCBGFUNAQQSV-GDBMZVCRSA-N 1 0 352.504 2.084 20 30 FEEDRO Cc1cc(C)cc(NC(=[NH2+])NC[C@H]2CCCC[C@@H]2NS(C)(=O)=O)c1 ZINC000262661852 672918662 /nfs/dbraw/zinc/91/86/62/672918662.db2.gz NDICRPOKUBQLTP-ZBFHGGJFSA-N 1 0 352.504 2.138 20 30 FEEDRO C[C@@H]1C[NH+]=C(NC[C@H](c2c(F)cccc2Cl)N2CCO[C@@H](C)C2)N1 ZINC000262651266 672918691 /nfs/dbraw/zinc/91/86/91/672918691.db2.gz KMXRQHJKLIXWTJ-TYNCELHUSA-N 1 0 354.857 2.178 20 30 FEEDRO CC[NH+]=C(NCCc1sc(C)nc1C)N1CCN(C(=O)C(C)C)CC1 ZINC000262802342 672921392 /nfs/dbraw/zinc/92/13/92/672921392.db2.gz RDLRDYGMKICEFB-UHFFFAOYSA-N 1 0 365.547 2.068 20 30 FEEDRO C[NH+]=C(NCC[S@@](=O)C(C)(C)C)N1CCN(c2cccc(C)c2)CC1 ZINC000262802394 672921412 /nfs/dbraw/zinc/92/14/12/672921412.db2.gz RGIQAVYMXVNQHD-RUZDIDTESA-N 1 0 364.559 2.240 20 30 FEEDRO C[C@@H](CNC(=O)Cc1ccc(Br)cc1C#N)[N@H+](C)C1CC1 ZINC000593448630 672924600 /nfs/dbraw/zinc/92/46/00/672924600.db2.gz SQEUEUFSIMBBCT-NSHDSACASA-N 1 0 350.260 2.462 20 30 FEEDRO CC(C)c1nnc(CNC(=[NH2+])N2CCN(c3ccc(Cl)cc3)CC2)[nH]1 ZINC000263147449 672929267 /nfs/dbraw/zinc/92/92/67/672929267.db2.gz OYTUAPGZDXDTDQ-UHFFFAOYSA-N 1 0 361.881 2.218 20 30 FEEDRO CCOCCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccsc2C#N)[C@H](C)C1 ZINC000593546327 672939028 /nfs/dbraw/zinc/93/90/28/672939028.db2.gz JUFCTJCMUJICNP-ZIAGYGMSSA-N 1 0 371.528 2.035 20 30 FEEDRO C[C@@H]1CN(C(=O)Cc2ccc(Br)cc2C#N)[C@@H](C)C[N@@H+]1C ZINC000593572954 672947373 /nfs/dbraw/zinc/94/73/73/672947373.db2.gz QZELZPHDPLQFNW-NEPJUHHUSA-N 1 0 350.260 2.414 20 30 FEEDRO CNS(=O)(=O)Cc1ccc(CNC(=[NH2+])N[C@@H](C)CCCC(C)C)cc1 ZINC000303773403 673017335 /nfs/dbraw/zinc/01/73/35/673017335.db2.gz FHKANCITVGFIFJ-HNNXBMFYSA-N 1 0 368.547 2.355 20 30 FEEDRO CCCCNC(=[NH2+])NCc1ccccc1S(=O)(=O)N1CCCCC1 ZINC000303787644 673017689 /nfs/dbraw/zinc/01/76/89/673017689.db2.gz SQIOGDDDLBLAOF-UHFFFAOYSA-N 1 0 352.504 2.066 20 30 FEEDRO [NH2+]=C(NCCNc1nccc(C(F)(F)F)n1)NCCc1ccccc1 ZINC000304763170 673020738 /nfs/dbraw/zinc/02/07/38/673020738.db2.gz WNSLDHPQJZYLRH-UHFFFAOYSA-N 1 0 352.364 2.054 20 30 FEEDRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)Nc2scc(C(C)(C)C)c2C#N)C1 ZINC000594318593 673057578 /nfs/dbraw/zinc/05/75/78/673057578.db2.gz NTHUINJXMFGLJP-TXEJJXNPSA-N 1 0 362.499 2.312 20 30 FEEDRO N#Cc1ccc(NC(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)c(Cl)c1 ZINC000594327974 673059105 /nfs/dbraw/zinc/05/91/05/673059105.db2.gz YHNDYGZQASKGTG-HOTGVXAUSA-N 1 0 360.845 2.283 20 30 FEEDRO COC(=O)c1ccc(NC(=O)[C@@H]([NH3+])CCCCC#N)c(OC(F)F)c1 ZINC000594434283 673071408 /nfs/dbraw/zinc/07/14/08/673071408.db2.gz MIJCBYSNMKOYFZ-NSHDSACASA-N 1 0 355.341 2.424 20 30 FEEDRO CSCC[C@@H](NC(=O)[C@H]([NH3+])CCCCC#N)c1nnc2ccccn21 ZINC000594440615 673071711 /nfs/dbraw/zinc/07/17/11/673071711.db2.gz HAFRORKGDFQYLZ-ZIAGYGMSSA-N 1 0 360.487 2.051 20 30 FEEDRO Cc1csc(=O)n1CCC(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000329109118 673072413 /nfs/dbraw/zinc/07/24/13/673072413.db2.gz PTRVDOCPFMXPFJ-UHFFFAOYSA-N 1 0 353.488 2.210 20 30 FEEDRO COc1ccc(Cl)c(N2CCN(C(=O)[C@@H]([NH3+])CCCCC#N)CC2)c1 ZINC000594453227 673074666 /nfs/dbraw/zinc/07/46/66/673074666.db2.gz NPOBWMLLUNOXQY-INIZCTEOSA-N 1 0 364.877 2.408 20 30 FEEDRO O=C(N[C@@H]1CCOC2(CCOCC2)C1)N1CC[NH+](C2CCCC2)CC1 ZINC000330255764 673088010 /nfs/dbraw/zinc/08/80/10/673088010.db2.gz KCLPBERJOVSDPA-MRXNPFEDSA-N 1 0 351.491 2.189 20 30 FEEDRO CCS(=O)(=O)Nc1ccc(C(C)=NNCC[NH+]2CCCCC2)cc1 ZINC000729637968 673242126 /nfs/dbraw/zinc/24/21/26/673242126.db2.gz ZGVLBUMWJIXBDD-UHFFFAOYSA-N 1 0 352.504 2.248 20 30 FEEDRO N#CCc1ccc(CS(=O)(=O)NCC2CC[NH+](CC3CC3)CC2)cc1 ZINC000595413267 673246319 /nfs/dbraw/zinc/24/63/19/673246319.db2.gz YSMUIZLEMWRCDL-UHFFFAOYSA-N 1 0 361.511 2.294 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)[C@@H]2CSCN2C(=O)OC(C)(C)C)CC1 ZINC000729977096 673255680 /nfs/dbraw/zinc/25/56/80/673255680.db2.gz IUURNQQOKPZSPO-AWEZNQCLSA-N 1 0 355.504 2.063 20 30 FEEDRO CCN1C(=O)[C@@H](CC(=O)NCC[NH+](C)C)SC1=Nc1ccc(C)cc1 ZINC000730140608 673263684 /nfs/dbraw/zinc/26/36/84/673263684.db2.gz GOOIZPPPQWXRGP-OAHLLOKOSA-N 1 0 362.499 2.014 20 30 FEEDRO CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH2+][C@@H](C)C2CCC(F)CC2)CC1 ZINC000595818793 673327826 /nfs/dbraw/zinc/32/78/26/673327826.db2.gz JNOAIRMTQABGBG-FCCDEINASA-N 1 0 352.498 2.185 20 30 FEEDRO C[C@H]1CCCC[C@]1(CNC(=O)OC(C)(C)C)[NH2+]CC(=O)NCCC#N ZINC000731847909 673344714 /nfs/dbraw/zinc/34/47/14/673344714.db2.gz ZXBJKBLKXCBFHO-KBXCAEBGSA-N 1 0 352.479 2.079 20 30 FEEDRO CC[C@H](C#N)Oc1cc(CNC(=S)NCCC[NH+](C)C)ccc1OC ZINC000733209138 673403406 /nfs/dbraw/zinc/40/34/06/673403406.db2.gz OPBJVVCEEPAHKL-OAHLLOKOSA-N 1 0 364.515 2.292 20 30 FEEDRO C=CCNC(=O)NC(=O)C[NH2+][C@H](C)c1ccc(SCCOC)cc1 ZINC000538205480 673426311 /nfs/dbraw/zinc/42/63/11/673426311.db2.gz JDPLVGLXZOFZQQ-CYBMUJFWSA-N 1 0 351.472 2.088 20 30 FEEDRO CC(C)[NH+](CCCNC(=O)C(=O)NCC1(C#N)CCCCC1)C(C)C ZINC000597295299 673464808 /nfs/dbraw/zinc/46/48/08/673464808.db2.gz WWYIUIHGYAZQAO-UHFFFAOYSA-N 1 0 350.507 2.202 20 30 FEEDRO C=CCCSCCNC(=O)C(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000597303081 673465911 /nfs/dbraw/zinc/46/59/11/673465911.db2.gz DMLBXKGNFDJYBA-JKSUJKDBSA-N 1 0 367.559 2.181 20 30 FEEDRO C=CCC[C@@H](CC)[NH2+][C@@H](C)C(=O)Nc1cccc(S(=O)(=O)NC)c1 ZINC000539075870 673472889 /nfs/dbraw/zinc/47/28/89/673472889.db2.gz LWMBZPDTQVJNKI-UONOGXRCSA-N 1 0 353.488 2.256 20 30 FEEDRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)c2c(Cl)cc(C#N)cc2Cl)C1 ZINC000597574556 673488617 /nfs/dbraw/zinc/48/86/17/673488617.db2.gz QCORPXMQOMBOPF-INIZCTEOSA-N 1 0 356.253 2.394 20 30 FEEDRO CC(C)(C#N)C[C@@H](O)C[NH+]1CCN(c2ccc(Br)cn2)CC1 ZINC000598586568 673586764 /nfs/dbraw/zinc/58/67/64/673586764.db2.gz IRLWZBKODDVOSF-CQSZACIVSA-N 1 0 367.291 2.267 20 30 FEEDRO N#Cc1csc(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000542691541 673597425 /nfs/dbraw/zinc/59/74/25/673597425.db2.gz QNNAONBTLBXGFU-UHFFFAOYSA-N 1 0 351.409 2.091 20 30 FEEDRO CC(C)N(C)S(=O)(=O)c1ccc(C[NH2+]C[C@@H](O)CC(C)(C)C#N)cc1 ZINC000598699263 673599791 /nfs/dbraw/zinc/59/97/91/673599791.db2.gz DQOKDPSFIZQEHR-INIZCTEOSA-N 1 0 367.515 2.106 20 30 FEEDRO C[S@](=O)C[C@@H]([NH2+]C[C@H](O)COc1ccccc1C#N)c1ccccc1 ZINC000599356926 673663142 /nfs/dbraw/zinc/66/31/42/673663142.db2.gz OPPWXNMRSAMCAZ-ATLLOTDBSA-N 1 0 358.463 2.007 20 30 FEEDRO C[C@@H](c1ccsc1)N1CC[NH+](C[C@@H](O)CC2(C#N)CCOCC2)CC1 ZINC000599360007 673663436 /nfs/dbraw/zinc/66/34/36/673663436.db2.gz IZQZPGDSPZRROU-WMZOPIPTSA-N 1 0 363.527 2.498 20 30 FEEDRO C[C@H](c1ccsc1)N1CC[NH+](C[C@@H](O)CC2(C#N)CCOCC2)CC1 ZINC000599360004 673663544 /nfs/dbraw/zinc/66/35/44/673663544.db2.gz IZQZPGDSPZRROU-AEFFLSMTSA-N 1 0 363.527 2.498 20 30 FEEDRO CC[N@@H+]1CCC(N=Nc2ncnc3c2c(Br)nn3C)[C@H](C)C1 ZINC000741464004 673687884 /nfs/dbraw/zinc/68/78/84/673687884.db2.gz LVBIHDQFWHOMEJ-SECBINFHSA-N 1 0 366.267 2.255 20 30 FEEDRO C[C@H]1CC(N=Nc2ncnc3c2c(Br)nn3C)CC[N@@H+]1C ZINC000741465222 673688015 /nfs/dbraw/zinc/68/80/15/673688015.db2.gz YVOPEEAPHQIWNF-QMMMGPOBSA-N 1 0 352.240 2.008 20 30 FEEDRO CC1(C)CCC[C@@](CO)([NH2+]CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000599593944 673695137 /nfs/dbraw/zinc/69/51/37/673695137.db2.gz HTFPANCQIAGFGD-GOSISDBHSA-N 1 0 350.484 2.253 20 30 FEEDRO CC[NH+](CC)CCOCCNC(=O)Nc1cc(OC)c(C#N)cc1F ZINC000599814735 673720067 /nfs/dbraw/zinc/72/00/67/673720067.db2.gz KNPPMFCRUFRNAW-UHFFFAOYSA-N 1 0 352.410 2.186 20 30 FEEDRO N#Cc1cc(S(N)(=O)=O)ccc1NC1CC[NH+](CC2CCCC2)CC1 ZINC000742398224 673726458 /nfs/dbraw/zinc/72/64/58/673726458.db2.gz SURKQCBFUGGXSR-UHFFFAOYSA-N 1 0 362.499 2.272 20 30 FEEDRO N#Cc1ccc(NC(=O)C(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)c(Cl)c1 ZINC000600065245 673738232 /nfs/dbraw/zinc/73/82/32/673738232.db2.gz YARNAUWYUIDTIW-CQSZACIVSA-N 1 0 360.845 2.283 20 30 FEEDRO Cn1cc(Cl)c(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)n1 ZINC000600079922 673739397 /nfs/dbraw/zinc/73/93/97/673739397.db2.gz BDWHDQHCBCZAJE-UHFFFAOYSA-N 1 0 357.845 2.340 20 30 FEEDRO C=CCOc1ccc(C(F)(F)F)cc1C(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000545156253 673747312 /nfs/dbraw/zinc/74/73/12/673747312.db2.gz QGDVTCJLAKSSKW-MRXNPFEDSA-N 1 0 358.360 2.067 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)c2cccc(OCC(F)(F)F)n2)CC1 ZINC000743492995 673761838 /nfs/dbraw/zinc/76/18/38/673761838.db2.gz DNETWENIYZVZEL-UHFFFAOYSA-N 1 0 355.360 2.240 20 30 FEEDRO N#CC1(C[C@@H](O)C[NH2+]Cc2nnc(-c3ccccc3)s2)CCOCC1 ZINC000600728846 673794676 /nfs/dbraw/zinc/79/46/76/673794676.db2.gz BXXKSPWINYRUBK-OAHLLOKOSA-N 1 0 358.467 2.366 20 30 FEEDRO N#CC1(C[C@H](O)C[NH2+]CCOc2ncc(Cl)cc2Cl)CCOCC1 ZINC000600732459 673795126 /nfs/dbraw/zinc/79/51/26/673795126.db2.gz ZVYZJSHEZJXPBP-ZDUSSCGKSA-N 1 0 374.268 2.428 20 30 FEEDRO N#CC1(C[C@H](O)C[NH2+][C@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)CC1 ZINC000600733303 673795179 /nfs/dbraw/zinc/79/51/79/673795179.db2.gz YNCYKXWHQQHYSD-AAEUAGOBSA-N 1 0 351.809 2.229 20 30 FEEDRO N#CC1(C[C@H](O)C[NH2+]CCc2cccc(C(F)(F)F)n2)CCOCC1 ZINC000600738612 673795540 /nfs/dbraw/zinc/79/55/40/673795540.db2.gz JXNXULGKGBWAQA-AWEZNQCLSA-N 1 0 357.376 2.304 20 30 FEEDRO N#CC1(C[C@@H](O)C[NH2+]CCc2cccc(C(F)(F)F)n2)CCOCC1 ZINC000600738620 673795616 /nfs/dbraw/zinc/79/56/16/673795616.db2.gz JXNXULGKGBWAQA-CQSZACIVSA-N 1 0 357.376 2.304 20 30 FEEDRO Cn1c(C[NH2+]C[C@@H](O)CC2(C#N)CCOCC2)nc2cccc(Cl)c21 ZINC000600734275 673795619 /nfs/dbraw/zinc/79/56/19/673795619.db2.gz HROKOFKSNOSRHD-ZDUSSCGKSA-N 1 0 362.861 2.388 20 30 FEEDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2c(C)cc(F)cc2C#N)C[C@@H]1C ZINC000601355527 673847067 /nfs/dbraw/zinc/84/70/67/673847067.db2.gz TXCIVFPXWPNVAT-BBRMVZONSA-N 1 0 353.463 2.499 20 30 FEEDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNS(=O)(=O)CC1(CC#N)CC1 ZINC000601481363 673869407 /nfs/dbraw/zinc/86/94/07/673869407.db2.gz DZHQCVAKAJDXGQ-WMZOPIPTSA-N 1 0 361.511 2.368 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N[C@@H](c2c(C)nn(C)c2C)C(F)(F)F)CC1 ZINC000746446347 673878462 /nfs/dbraw/zinc/87/84/62/673878462.db2.gz GUZMWZDNTWVSAK-HNNXBMFYSA-N 1 0 356.392 2.102 20 30 FEEDRO CCO[C@@H]1COCC[C@@H]1[NH2+][C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000547883939 673897066 /nfs/dbraw/zinc/89/70/66/673897066.db2.gz ZUAVCMUUTFKXFX-BYCMXARLSA-N 1 0 363.483 2.219 20 30 FEEDRO N#Cc1ccc(Br)c(Cn2cc(CSCC[NH3+])nn2)c1 ZINC000603240721 673919668 /nfs/dbraw/zinc/91/96/68/673919668.db2.gz DDALNORCENOLAE-UHFFFAOYSA-N 1 0 352.261 2.152 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)S(=O)(=O)C[C@@]1(C)CC1(F)F ZINC000603273293 673920536 /nfs/dbraw/zinc/92/05/36/673920536.db2.gz PARKTVWCIMPGNZ-MRXNPFEDSA-N 1 0 371.453 2.297 20 30 FEEDRO C[C@H]1CCC[C@H](C)[NH+]1CCNc1ccc(C#N)cc1CS(N)(=O)=O ZINC000603298226 673923361 /nfs/dbraw/zinc/92/33/61/673923361.db2.gz XJQWBPFYUNQJMS-KBPBESRZSA-N 1 0 350.488 2.022 20 30 FEEDRO CC(C)C[NH2+]C1(CO)CCN(c2cc(C#N)c(Br)cn2)CC1 ZINC000603384856 673928589 /nfs/dbraw/zinc/92/85/89/673928589.db2.gz ASBPFVIDTCUDJA-UHFFFAOYSA-N 1 0 367.291 2.293 20 30 FEEDRO C=CCNS(=O)(=O)c1cccc(-c2nc([C@@H]([NH3+])CC(C)C)no2)c1 ZINC000566561737 675224808 /nfs/dbraw/zinc/22/48/08/675224808.db2.gz YODIJHOCZYSSEJ-AWEZNQCLSA-N 1 0 350.444 2.247 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)c1nnn(-c2ccc(F)c(Cl)c2)c1C ZINC000818609063 675228540 /nfs/dbraw/zinc/22/85/40/675228540.db2.gz IZKVYPKGOJYEDF-UHFFFAOYSA-N 1 0 363.824 2.053 20 30 FEEDRO C#CC[N@@H+](C)CCCNC(=O)[C@@H](C)SCC(=O)Nc1ccc(C)cc1 ZINC000818615550 675228868 /nfs/dbraw/zinc/22/88/68/675228868.db2.gz PUSXNPXTGCEJIL-MRXNPFEDSA-N 1 0 361.511 2.127 20 30 FEEDRO C[NH+]1CCC2(CCCN2C(=O)C(=O)Nc2cc(C#N)ccc2Cl)CC1 ZINC000615344205 676212888 /nfs/dbraw/zinc/21/28/88/676212888.db2.gz MSHLPRWOCZIFMZ-UHFFFAOYSA-N 1 0 360.845 2.237 20 30 FEEDRO CCC[NH+]1CCN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)CC1 ZINC000819238292 675272751 /nfs/dbraw/zinc/27/27/51/675272751.db2.gz XPTFOEQLHLSXQQ-OAHLLOKOSA-N 1 0 352.479 2.128 20 30 FEEDRO COc1ccc([C@@H]2C[C@H]2[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000819277373 675276642 /nfs/dbraw/zinc/27/66/42/675276642.db2.gz ITKQNFLFISSCKI-RBUKOAKNSA-N 1 0 356.447 2.486 20 30 FEEDRO CN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)[C@H]1CCC[N@H+](C)C1 ZINC000819313670 675280503 /nfs/dbraw/zinc/28/05/03/675280503.db2.gz JKNLTSCNTCPMME-LSDHHAIUSA-N 1 0 352.479 2.126 20 30 FEEDRO C[C@]1(C[NH2+]C[C@@H](O)COc2ccc(C#N)cc2)OCCc2sccc21 ZINC000567582457 675303940 /nfs/dbraw/zinc/30/39/40/675303940.db2.gz JGCKMVCSGHFPJR-DNVCBOLYSA-N 1 0 358.463 2.437 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)NCC(F)(F)c2cccc(OC)n2)CC1 ZINC000568428812 675373487 /nfs/dbraw/zinc/37/34/87/675373487.db2.gz SJGSZGCIAGJNPG-UHFFFAOYSA-N 1 0 354.401 2.132 20 30 FEEDRO C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H](C)C[N@@H+](CC)CCC)c1 ZINC000568568759 675383216 /nfs/dbraw/zinc/38/32/16/675383216.db2.gz KAMFYXYOFDYTJM-OAHLLOKOSA-N 1 0 367.515 2.001 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cc(Br)nn2C)CC1 ZINC000821466150 675436524 /nfs/dbraw/zinc/43/65/24/675436524.db2.gz GUNZIKAWSDVUJN-UHFFFAOYSA-N 1 0 356.268 2.345 20 30 FEEDRO C#CCN(CC(=O)NC[C@H](C)C[NH+]1CCCCC1)C(=O)OC(C)(C)C ZINC000822874950 675512926 /nfs/dbraw/zinc/51/29/26/675512926.db2.gz UQIBYZKJKOPMIK-INIZCTEOSA-N 1 0 351.491 2.095 20 30 FEEDRO C#CCOc1ccc(Br)cc1C[NH2+]CC[C@](C)(O)COC ZINC000824559128 675610108 /nfs/dbraw/zinc/61/01/08/675610108.db2.gz HFBGAXBPDPLUIN-INIZCTEOSA-N 1 0 356.260 2.338 20 30 FEEDRO C=C(C[NH+](C)C)C(=O)N1CCC[C@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]21 ZINC000829376627 675877572 /nfs/dbraw/zinc/87/75/72/675877572.db2.gz IKJCSZKNJWFVKK-HOTGVXAUSA-N 1 0 351.491 2.352 20 30 FEEDRO N#CCc1cccc(S(=O)(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000619492385 676381069 /nfs/dbraw/zinc/38/10/69/676381069.db2.gz MQTCMELUYWUDKS-QFBILLFUSA-N 1 0 359.495 2.390 20 30 FEEDRO C[NH+](C)C[C@H](NC(=O)NC1CCN(CC#N)CC1)c1ccc(Cl)cc1 ZINC000619817545 676396191 /nfs/dbraw/zinc/39/61/91/676396191.db2.gz CTZFYBLQUQELGQ-KRWDZBQOSA-N 1 0 363.893 2.230 20 30 FEEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@H](C)C(=O)Nc2cccc(S(=O)(=O)NC)c2)C1 ZINC000651700370 677445428 /nfs/dbraw/zinc/44/54/28/677445428.db2.gz BMCDRNMRLFRZLQ-IIAWOOMASA-N 1 0 365.499 2.256 20 30 FEEDRO CCNS(=O)(=O)c1cccc(C[NH2+]Cc2ccc(OC)c(C#N)c2)c1 ZINC000839147928 680741757 /nfs/dbraw/zinc/74/17/57/680741757.db2.gz BPUDUOWMVKKHOA-UHFFFAOYSA-N 1 0 359.451 2.155 20 30 FEEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659632987 678193819 /nfs/dbraw/zinc/19/38/19/678193819.db2.gz NTOZEZGNTQVSEW-UHFFFAOYSA-N 1 0 367.862 2.254 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)c2cnn(-c3nc(CC)cs3)c2)CC1 ZINC000762986694 680768174 /nfs/dbraw/zinc/76/81/74/680768174.db2.gz AWMLMCFSHKDAMI-UHFFFAOYSA-N 1 0 357.483 2.109 20 30 FEEDRO C=CCC1([NH2+]CC(=O)N(CCCC)[C@@H]2CCS(=O)(=O)C2)CCCC1 ZINC000661848099 678541758 /nfs/dbraw/zinc/54/17/58/678541758.db2.gz AEALNSNODKRBAA-MRXNPFEDSA-N 1 0 356.532 2.281 20 30 FEEDRO C=CC[C@@]1(C(=O)N(C)Cc2nc([C@H](C)OCC(C)C)no2)CCC[NH2+]1 ZINC000662647734 678646931 /nfs/dbraw/zinc/64/69/31/678646931.db2.gz HNBNEDRAZLRPPW-KSSFIOAISA-N 1 0 350.463 2.460 20 30 FEEDRO C=CC[C@@]1(C(=O)N[C@@H](CC)CS(=O)(=O)c2ccccc2)CCC[NH2+]1 ZINC000662799765 678662543 /nfs/dbraw/zinc/66/25/43/678662543.db2.gz MWNVBBLUSZTATQ-YJBOKZPZSA-N 1 0 350.484 2.053 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)Nc2cncc(OCC(F)(F)F)n2)CC1 ZINC000667730209 679125139 /nfs/dbraw/zinc/12/51/39/679125139.db2.gz KTDDIJYCONXBFC-UHFFFAOYSA-N 1 0 359.352 2.190 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)CC[C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000765346447 680839876 /nfs/dbraw/zinc/83/98/76/680839876.db2.gz JXQDUJPDXINZFR-OAHLLOKOSA-N 1 0 351.491 2.284 20 30 FEEDRO C#CCC[NH+]1CCC(NS(=O)(=O)CCc2cccc(Cl)c2)CC1 ZINC000840951876 680856588 /nfs/dbraw/zinc/85/65/88/680856588.db2.gz KVZGOGNZKGZSQV-UHFFFAOYSA-N 1 0 354.903 2.290 20 30 FEEDRO CCN(CC)C(=O)c1ccc(NC(=O)N[C@H]2C[NH2+]C[C@H]2C#N)cc1Cl ZINC000841027927 680860472 /nfs/dbraw/zinc/86/04/72/680860472.db2.gz GQIKBECQJYDUMD-ABAIWWIYSA-N 1 0 363.849 2.055 20 30 FEEDRO C=CCCC[C@H]([NH3+])C(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000911920146 685282492 /nfs/dbraw/zinc/28/24/92/685282492.db2.gz VJXNWHNOOCOEDT-INIZCTEOSA-N 1 0 351.472 2.093 20 30 FEEDRO C=C(Cl)C(C)(C)C(=O)N1CCC2(CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC001019070243 680088214 /nfs/dbraw/zinc/08/82/14/680088214.db2.gz FXHZDVOPLOUMSN-UKRRQHHQSA-N 1 0 367.921 2.166 20 30 FEEDRO C#CCN(CC#C)CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000752075446 680222228 /nfs/dbraw/zinc/22/22/28/680222228.db2.gz LMKRSFQQHXXEHJ-LJQANCHMSA-N 1 0 357.885 2.162 20 30 FEEDRO CC(C)c1c(C(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)cnn1-c1ccccc1Cl ZINC000834500965 680235720 /nfs/dbraw/zinc/23/57/20/680235720.db2.gz YNSIICSILIULJI-WFASDCNBSA-N 1 0 357.845 2.490 20 30 FEEDRO CCOc1ccc(-c2nc(C)c(C(=O)N[C@@H]3C[NH2+]C[C@H]3C#N)s2)cc1 ZINC000834515895 680237154 /nfs/dbraw/zinc/23/71/54/680237154.db2.gz DCVKJMWPPIRDBX-UKRRQHHQSA-N 1 0 356.451 2.359 20 30 FEEDRO C=C(Br)CN1CCC[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001023378944 680258233 /nfs/dbraw/zinc/25/82/33/680258233.db2.gz FZRHVTYNFGDLNR-RBSFLKMASA-N 1 0 358.324 2.063 20 30 FEEDRO C=C(C)CC[NH2+][C@@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000834882160 680279633 /nfs/dbraw/zinc/27/96/33/680279633.db2.gz JEHZUDAVBQZUMO-ZDUSSCGKSA-N 1 0 360.501 2.029 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@]2(C)C[N@@H+]([C@@H](C)COC)C[C@]2(C)C1 ZINC000982642709 680283603 /nfs/dbraw/zinc/28/36/03/680283603.db2.gz UGGYJBSUPIXXAT-VDWQKOAOSA-N 1 0 350.503 2.173 20 30 FEEDRO C[NH+](C)CCCNC(=S)NN=Cc1cccc(F)c1Br ZINC000834957344 680284734 /nfs/dbraw/zinc/28/47/34/680284734.db2.gz IKNPPKFQAYXEDE-UHFFFAOYSA-N 1 0 361.284 2.338 20 30 FEEDRO C[NH+](C)CCCNC(=S)NN=C1CCCOc2cc(F)cc(F)c21 ZINC000834957877 680284852 /nfs/dbraw/zinc/28/48/52/680284852.db2.gz VSZARFSOPFFPBA-UHFFFAOYSA-N 1 0 356.442 2.257 20 30 FEEDRO C#CCSCC[NH2+][C@@H](C)[C@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000753969118 680327513 /nfs/dbraw/zinc/32/75/13/680327513.db2.gz QSMKKOYEFITHNX-FUHWJXTLSA-N 1 0 362.495 2.369 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([NH2+]Cc2csnc2OC)CC1 ZINC000996602300 680336608 /nfs/dbraw/zinc/33/66/08/680336608.db2.gz ZVLFUMGHCNAIQL-CVEARBPZSA-N 1 0 365.499 2.214 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](C[C@H]3CCC(F)(F)C3)C[C@H]21 ZINC001026101821 680342571 /nfs/dbraw/zinc/34/25/71/680342571.db2.gz JZWQLRTUIQFSBI-ROIMOXLHSA-N 1 0 354.441 2.449 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@H](CCO)c2cccs2)cc1 ZINC000754389323 680353543 /nfs/dbraw/zinc/35/35/43/680353543.db2.gz ROAYEQVNTWXASQ-OAHLLOKOSA-N 1 0 350.465 2.107 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2cccc(F)c2F)C1 ZINC001027074606 680354525 /nfs/dbraw/zinc/35/45/25/680354525.db2.gz CCTLBKMMDDLPLX-LXZKKBNFSA-N 1 0 350.409 2.494 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2snnc2C)C1 ZINC001027114345 680355750 /nfs/dbraw/zinc/35/57/50/680355750.db2.gz WXWKHONDVZDYRK-ZOBUZTSGSA-N 1 0 364.515 2.156 20 30 FEEDRO N#CCOc1ccc(Cl)cc1C[NH2+][C@@H](CC(N)=O)C1CCOCC1 ZINC000754504487 680359915 /nfs/dbraw/zinc/35/99/15/680359915.db2.gz GRXOXVYFNRNWTM-HNNXBMFYSA-N 1 0 351.834 2.003 20 30 FEEDRO COC(=O)C[C@H]([NH2+][C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2)C1CC1 ZINC000754523048 680361061 /nfs/dbraw/zinc/36/10/61/680361061.db2.gz ZGPNQXSAYVTEPB-HZMBPMFUSA-N 1 0 361.467 2.367 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([C@@H](C)[NH2+]Cc2csnn2)CC1 ZINC001029101468 680386471 /nfs/dbraw/zinc/38/64/71/680386471.db2.gz GTDQKIKFMPTLBO-XYPHTWIQSA-N 1 0 364.515 2.236 20 30 FEEDRO CCCC[N@@H+]1CCCC[C@@H]1CNc1cccc(S(N)(=O)=O)c1C#N ZINC000754991391 680392668 /nfs/dbraw/zinc/39/26/68/680392668.db2.gz PUXCOUWMIBYVLV-CQSZACIVSA-N 1 0 350.488 2.272 20 30 FEEDRO C[C@H](CNc1cccc(S(N)(=O)=O)c1C#N)[N@H+](C)Cc1ccccc1 ZINC000755006785 680393806 /nfs/dbraw/zinc/39/38/06/680393806.db2.gz XMKDDSLWEWOBHU-CQSZACIVSA-N 1 0 358.467 2.138 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H](C[N@@H+](C)CC2CCOCC2)C1 ZINC001029865220 680394272 /nfs/dbraw/zinc/39/42/72/680394272.db2.gz ZPQZPAZQSQQPPK-QYZOEREBSA-N 1 0 350.503 2.175 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC(C[N@H+](C)C[C@H]2CCOC2)CC1 ZINC001030003020 680396178 /nfs/dbraw/zinc/39/61/78/680396178.db2.gz VMZKVXNNDZIPOQ-QYZOEREBSA-N 1 0 350.503 2.175 20 30 FEEDRO N#Cc1ccc(Br)c(CN2CC[NH+](CCCCO)CC2)c1 ZINC000755067867 680396829 /nfs/dbraw/zinc/39/68/29/680396829.db2.gz UUKXUZPJDGGDBE-UHFFFAOYSA-N 1 0 352.276 2.211 20 30 FEEDRO C=C(C)CC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C1 ZINC001034272113 680432529 /nfs/dbraw/zinc/43/25/29/680432529.db2.gz RRJKTENNZKEMDI-KFWWJZLASA-N 1 0 364.408 2.270 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)c2ccc(C)nc2Br)CC1 ZINC000755916566 680444837 /nfs/dbraw/zinc/44/48/37/680444837.db2.gz LSKPMROAJRJSJV-UHFFFAOYSA-N 1 0 350.260 2.370 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H](C)[C@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000836317617 680450094 /nfs/dbraw/zinc/45/00/94/680450094.db2.gz GFDHUPNVUBZBMK-KBPBESRZSA-N 1 0 354.495 2.238 20 30 FEEDRO C[C@@H]1[C@H](C(=O)NC[C@@H]2CCN2CC#Cc2ccccc2Cl)CC[N@@H+]1C ZINC001038263855 680454211 /nfs/dbraw/zinc/45/42/11/680454211.db2.gz ALBJFBMTZGHCKK-BPQIPLTHSA-N 1 0 359.901 2.222 20 30 FEEDRO C#CC[N@H+]1CCC[C@@H]1COC(=O)COc1cccc(Br)c1 ZINC000756540794 680483910 /nfs/dbraw/zinc/48/39/10/680483910.db2.gz CYMRMAVRXCUNNU-CQSZACIVSA-N 1 0 352.228 2.469 20 30 FEEDRO C=C(Cl)C(C)(C)C(=O)N1CC[C@@H]2CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@@H]2C1 ZINC000986320575 680505307 /nfs/dbraw/zinc/50/53/07/680505307.db2.gz IGNUYMYMIWXCSJ-OWCLPIDISA-N 1 0 369.937 2.412 20 30 FEEDRO Cc1nsc(N2C[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+]3CCCC3)C2)c1C#N ZINC001042400423 680529525 /nfs/dbraw/zinc/52/95/25/680529525.db2.gz MGQRISHSVQCSGK-IUODEOHRSA-N 1 0 361.515 2.139 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)c2cccnc2I)CC1 ZINC000758065532 680553635 /nfs/dbraw/zinc/55/36/35/680553635.db2.gz AXTDQRMQTYAZIS-UHFFFAOYSA-N 1 0 371.222 2.066 20 30 FEEDRO C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1Nc1nc(Cl)c(C#N)s1 ZINC001043095763 680560590 /nfs/dbraw/zinc/56/05/90/680560590.db2.gz RCIQSSKKUYCWRL-GMTAPVOTSA-N 1 0 353.879 2.021 20 30 FEEDRO C[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1Nc1nc(Cl)c(C#N)s1 ZINC001043252448 680569574 /nfs/dbraw/zinc/56/95/74/680569574.db2.gz RWLSYHFSZPWASB-GRYCIOLGSA-N 1 0 367.906 2.269 20 30 FEEDRO C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1Nc1ncc(C#N)cc1Cl ZINC001043511157 680585078 /nfs/dbraw/zinc/58/50/78/680585078.db2.gz GIEXHWRZCRDUDL-DVOMOZLQSA-N 1 0 361.877 2.350 20 30 FEEDRO C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1Nc1ncc(C#N)cc1Cl ZINC001043608539 680591062 /nfs/dbraw/zinc/59/10/62/680591062.db2.gz JSEGCMAXLTVFIO-DAXOMENPSA-N 1 0 361.877 2.350 20 30 FEEDRO C#C[C@@H]1COCCN1C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000837394851 680596919 /nfs/dbraw/zinc/59/69/19/680596919.db2.gz JQMOMVGYONZMMH-GOSISDBHSA-N 1 0 361.873 2.348 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CC2(CO1)CC[NH+](C(C)C)CC2 ZINC001045672961 680637487 /nfs/dbraw/zinc/63/74/87/680637487.db2.gz XCNOLWAQZMHLLZ-KSZLIROESA-N 1 0 350.503 2.363 20 30 FEEDRO C#CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3C[C@H]3c3sccc3C)CC2)C1 ZINC001046030670 680643166 /nfs/dbraw/zinc/64/31/66/680643166.db2.gz XOLVMJJZICDLIJ-KZNAEPCWSA-N 1 0 357.523 2.012 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@]1(C)CC[N@H+](CCn2cc(Cl)cn2)C1 ZINC001046328396 680646074 /nfs/dbraw/zinc/64/60/74/680646074.db2.gz ZXIRPIHFRVEKEJ-SOLBZPMBSA-N 1 0 366.893 2.098 20 30 FEEDRO C#CCC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2C[C@H]2C2CCOCC2)C1 ZINC001046956575 680654544 /nfs/dbraw/zinc/65/45/44/680654544.db2.gz ZJBMPKRUYZCKSF-YESZJQIVSA-N 1 0 354.441 2.146 20 30 FEEDRO C=CCC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2C[C@H]2c2cncn2C)C1 ZINC001046973996 680654910 /nfs/dbraw/zinc/65/49/10/680654910.db2.gz BLICPHBNYYYKFV-RRFJBIMHSA-N 1 0 352.429 2.173 20 30 FEEDRO C=C(Cl)C(C)(C)C(=O)N1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C(C)(C)C1 ZINC001008206973 680664794 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C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)NCCCCCC[NH3+])cc1 ZINC000843042908 680984379 /nfs/dbraw/zinc/98/43/79/680984379.db2.gz WTIRHWRGXLOKBV-CYBMUJFWSA-N 1 0 352.460 2.013 20 30 FEEDRO CN(CCC#N)C[C@@H](O)C[NH2+]CC[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000843096919 680987566 /nfs/dbraw/zinc/98/75/66/680987566.db2.gz GDKBVHKZBOKCQJ-BBRMVZONSA-N 1 0 360.285 2.213 20 30 FEEDRO C#CCNC(=O)[C@@H](C)[NH+]1CCC(CCN(C)C(=O)OC(C)(C)C)CC1 ZINC000769945442 681001594 /nfs/dbraw/zinc/00/15/94/681001594.db2.gz JAXHYDSZOYXKIN-OAHLLOKOSA-N 1 0 351.491 2.093 20 30 FEEDRO C=C(Br)CN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001049481245 681032558 /nfs/dbraw/zinc/03/25/58/681032558.db2.gz HVZDNAOJMITBMJ-LVQVYYBASA-N 1 0 370.335 2.301 20 30 FEEDRO C[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)CCN1c1ncc(C#N)cc1Cl ZINC001050454725 681048444 /nfs/dbraw/zinc/04/84/44/681048444.db2.gz OPZPIBUVMBHYBR-WWGRRREGSA-N 1 0 361.877 2.032 20 30 FEEDRO C[C@@H]1CC[N@H+](CC(=O)N[C@H]2CCN(c3ncc(C#N)cc3Cl)[C@@H]2C)C1 ZINC001051014741 681059879 /nfs/dbraw/zinc/05/98/79/681059879.db2.gz CNCBXNAEWHDUNS-IOASZLSFSA-N 1 0 361.877 2.032 20 30 FEEDRO C=C[C@@H](C)ON=C(C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000844624281 681068786 /nfs/dbraw/zinc/06/87/86/681068786.db2.gz LCMNFNYAOSELQN-CQSZACIVSA-N 1 0 353.488 2.232 20 30 FEEDRO N#Cc1ccc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3C[C@H]3C3CCC3)CCO2)s1 ZINC001051862951 681070482 /nfs/dbraw/zinc/07/04/82/681070482.db2.gz HDUVSSAROWWTFZ-FHLIZLRMSA-N 1 0 359.495 2.373 20 30 FEEDRO C[C@@H]1[C@H](C(=O)N2CCC(Nc3nc(Cl)c(C#N)s3)CC2)CC[N@@H+]1C ZINC001057443608 681160903 /nfs/dbraw/zinc/16/09/03/681160903.db2.gz ZPUJYEYBPZBNEK-ZYHUDNBSSA-N 1 0 367.906 2.411 20 30 FEEDRO CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N ZINC000774011548 681164561 /nfs/dbraw/zinc/16/45/61/681164561.db2.gz FYGHTGXDEUKHBP-MCIONIFRSA-N 1 0 352.479 2.028 20 30 FEEDRO CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(c3ncc(C#N)cc3Cl)C2)CC[N@@H+]1C ZINC001058573467 681172725 /nfs/dbraw/zinc/17/27/25/681172725.db2.gz MTMKPWNJPZVASJ-OFQRWUPVSA-N 1 0 361.877 2.032 20 30 FEEDRO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](Nc3nc(C#N)c(Cl)s3)C2)CC[N@@H+]1C ZINC001059859195 681187357 /nfs/dbraw/zinc/18/73/57/681187357.db2.gz SIXRWISKACCJPH-SRRSOLGSSA-N 1 0 367.906 2.458 20 30 FEEDRO C=CC1(CC(=O)N2CC[C@@H](C[NH+](C)C)C2)CN(C(=O)OC(C)(C)C)C1 ZINC000932795708 681312229 /nfs/dbraw/zinc/31/22/29/681312229.db2.gz PLMQIIAWARZKGF-HNNXBMFYSA-N 1 0 351.491 2.210 20 30 FEEDRO N#CC[C@@H](NC(=O)N1CC2(C1)C[NH+](Cc1ccccc1)C2)C(F)(F)F ZINC000932895231 681323982 /nfs/dbraw/zinc/32/39/82/681323982.db2.gz NMXVVLSOVHKDNB-CQSZACIVSA-N 1 0 352.360 2.358 20 30 FEEDRO C#C[C@H]([NH2+][C@@H](C)C(=O)N(C)CCOc1ccc(Cl)cc1)[C@H]1CCCO1 ZINC000775797813 681336264 /nfs/dbraw/zinc/33/62/64/681336264.db2.gz DVIFDWYZFAMLKM-JCGIZDLHSA-N 1 0 364.873 2.336 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)c2nc(C)ccc2Br)CC1 ZINC000933355064 681399508 /nfs/dbraw/zinc/39/95/08/681399508.db2.gz NYLMVGUGSLZZRF-UHFFFAOYSA-N 1 0 350.260 2.370 20 30 FEEDRO C[N@@H+]1C[C@@H]2CN(CC(=O)N(CCC#N)c3cccc(Cl)c3)C[C@]2(C)C1 ZINC000933743477 681461334 /nfs/dbraw/zinc/46/13/34/681461334.db2.gz AJMWBRLFBIGQFR-BEFAXECRSA-N 1 0 360.889 2.470 20 30 FEEDRO CC(CN1CCCCCC1)=NNS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000777419440 681492148 /nfs/dbraw/zinc/49/21/48/681492148.db2.gz ZVFPPPXVYHBMEC-UHFFFAOYSA-N 1 0 368.459 2.433 20 30 FEEDRO CO[C@H]1CC[C@@H]1[N@H+](C)CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000934117084 681511196 /nfs/dbraw/zinc/51/11/96/681511196.db2.gz JXKMVNNNGSCCDC-HOTGVXAUSA-N 1 0 354.372 2.282 20 30 FEEDRO C=CCCC[N@@H+](CC)[C@H](C)C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000934648418 681605856 /nfs/dbraw/zinc/60/58/56/681605856.db2.gz OMFVBBZGOONKRZ-HUUCEWRRSA-N 1 0 367.515 2.188 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCOC2(CC[NH+](C/C=C\Cl)CC2)C1 ZINC000949095803 681617339 /nfs/dbraw/zinc/61/73/39/681617339.db2.gz WVVRRKWUOIQHDB-YFKBFVAJSA-N 1 0 368.905 2.414 20 30 FEEDRO C=CCC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1OCC[C@H]1C(C)C)CCO2 ZINC000949098822 681617474 /nfs/dbraw/zinc/61/74/74/681617474.db2.gz GPLJWSQUYGFVNK-ROUUACIJSA-N 1 0 350.503 2.317 20 30 FEEDRO CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000848941015 681646019 /nfs/dbraw/zinc/64/60/19/681646019.db2.gz ZXTVZIZEVAKCBA-HUUCEWRRSA-N 1 0 352.479 2.079 20 30 FEEDRO Cc1cscc1CNC1=[NH+]C[C@@H]2CN(C(=O)OC(C)(C)C)CCN12 ZINC000849109312 681654585 /nfs/dbraw/zinc/65/45/85/681654585.db2.gz IFWVVNKUDQYNAO-CQSZACIVSA-N 1 0 350.488 2.437 20 30 FEEDRO C[C@H](CNC1=[NH+]C[C@@H]2CN(C(=O)OC(C)(C)C)CCN12)CC(F)(F)F ZINC000849117644 681658516 /nfs/dbraw/zinc/65/85/16/681658516.db2.gz ONLSHWKFWIYAKS-NWDGAFQWSA-N 1 0 364.412 2.455 20 30 FEEDRO CCOc1ccc(-c2nc(CC(=O)NCC#CC[NH+](C)C)cs2)cc1 ZINC000913516394 685479268 /nfs/dbraw/zinc/47/92/68/685479268.db2.gz OBVUKSGXZKWOLG-UHFFFAOYSA-N 1 0 357.479 2.433 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(CC)C1C[NH+](CC[C@H]2CCCCO2)C1 ZINC000953830884 681800980 /nfs/dbraw/zinc/80/09/80/681800980.db2.gz LNPLPLSVJLQDCZ-QYZOEREBSA-N 1 0 350.503 2.460 20 30 FEEDRO C=C(Cl)C(C)(C)C(=O)N1CCC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000956032275 681845463 /nfs/dbraw/zinc/84/54/63/681845463.db2.gz NZNXDDQMXJLZLC-VHDGCEQUSA-N 1 0 355.910 2.213 20 30 FEEDRO CC(C)[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@H]21 ZINC000959926620 682010520 /nfs/dbraw/zinc/01/05/20/682010520.db2.gz UDRXHODGVOBHIE-AVEIZBFRSA-N 1 0 359.495 2.227 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CC(C[NH2+]Cc2csnc2OC)C1 ZINC000962414195 682117496 /nfs/dbraw/zinc/11/74/96/682117496.db2.gz HWIDFJMZQSUEES-UAOKOLBASA-N 1 0 365.499 2.117 20 30 FEEDRO C#CCOCC[N@H+]1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000851825435 682149882 /nfs/dbraw/zinc/14/98/82/682149882.db2.gz HXJXFEHXOZXZCA-ZDUSSCGKSA-N 1 0 366.259 2.144 20 30 FEEDRO CCCCNN=C(C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000917549145 685532875 /nfs/dbraw/zinc/53/28/75/685532875.db2.gz XLMPKSYXRVVEDI-UHFFFAOYSA-N 1 0 354.520 2.030 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](CCC2CCOCC2)C1 ZINC000969692491 682272972 /nfs/dbraw/zinc/27/29/72/682272972.db2.gz NZYUFFPMYUPLBD-IPELMVKDSA-N 1 0 350.503 2.221 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H](C)C1C[NH+](CCc2csc(C)n2)C1 ZINC000970572152 682307806 /nfs/dbraw/zinc/30/78/06/682307806.db2.gz RLHQPZMMHVTTFV-BVGQSLNGSA-N 1 0 363.527 2.412 20 30 FEEDRO O=C(C#CC1CC[NH2+]CC1)N1CCOc2cccc(Br)c2C1 ZINC000852897205 682354576 /nfs/dbraw/zinc/35/45/76/682354576.db2.gz NMMIMHKTLXXNPV-UHFFFAOYSA-N 1 0 363.255 2.173 20 30 FEEDRO C[N@H+](Cc1ccc(C#N)s1)[C@H]1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC000971973586 682384328 /nfs/dbraw/zinc/38/43/28/682384328.db2.gz CAUQKUHXNDDHIO-LTUQZUHASA-N 1 0 357.479 2.076 20 30 FEEDRO C=C(Cl)C(C)(C)C(=O)N1C[C@H]2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]21 ZINC000972340669 682407962 /nfs/dbraw/zinc/40/79/62/682407962.db2.gz YEKWBYWBLULEFF-BZUAXINKSA-N 1 0 369.937 2.411 20 30 FEEDRO Cc1ccc(S(=O)(=O)NN=C2CCC[C@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000788407386 682528353 /nfs/dbraw/zinc/52/83/53/682528353.db2.gz DFZDKHZKCQUZIQ-ZDUSSCGKSA-N 1 0 354.432 2.042 20 30 FEEDRO C#CCOc1cccc(Cl)c1C[N@@H+]1C[C@H]2COCC[C@@]2(C(=O)OC)C1 ZINC000793344318 682883740 /nfs/dbraw/zinc/88/37/40/682883740.db2.gz QSSJHGXXIAMUBA-IFXJQAMLSA-N 1 0 363.841 2.364 20 30 FEEDRO O=C(C#CC1CC[NH2+]CC1)N1CCc2ccc(F)c(Br)c2C1 ZINC000857874024 682921342 /nfs/dbraw/zinc/92/13/42/682921342.db2.gz FWBVBLHBOSVWFW-UHFFFAOYSA-N 1 0 365.246 2.476 20 30 FEEDRO CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)c1ccc(Cl)c(C#N)c1)C2 ZINC000926168440 683086907 /nfs/dbraw/zinc/08/69/07/683086907.db2.gz YGHLAWHXBCAQEN-MTNOOBJLSA-N 1 0 361.873 2.421 20 30 FEEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000926288406 683104611 /nfs/dbraw/zinc/10/46/11/683104611.db2.gz UZQSVBCUADMZKW-OLZOCXBDSA-N 1 0 369.918 2.359 20 30 FEEDRO C#CCCOc1ccc(C[NH2+]C[C@H]2CCCC[C@H]2NS(C)(=O)=O)cc1 ZINC000796485851 683165048 /nfs/dbraw/zinc/16/50/48/683165048.db2.gz OSJJKECHGCFLAE-IEBWSBKVSA-N 1 0 364.511 2.286 20 30 FEEDRO C=CCN1CC[C@H]([NH2+][C@@H]2[C@H](C)CCN(C(=O)OC(C)(C)C)[C@@H]2C)C1=O ZINC000796647058 683181063 /nfs/dbraw/zinc/18/10/63/683181063.db2.gz BMURYJUILHGUET-LVQVYYBASA-N 1 0 351.491 2.397 20 30 FEEDRO C=CC[C@H](CO)C[NH2+][C@@H](C1CC1)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000796855980 683201459 /nfs/dbraw/zinc/20/14/59/683201459.db2.gz SSIKMNKLGIFOOA-UAGQMJEPSA-N 1 0 354.491 2.175 20 30 FEEDRO Cc1nn(CCS(C)(=O)=O)c(C)c1C[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000797978014 683298171 /nfs/dbraw/zinc/29/81/71/683298171.db2.gz KVLUTYLEJJRFJZ-ZDUSSCGKSA-N 1 0 360.483 2.267 20 30 FEEDRO C#CCOc1ccc(F)cc1NC(=O)N[C@H](CO)CC[NH+](CC)CC ZINC000798199614 683319987 /nfs/dbraw/zinc/31/99/87/683319987.db2.gz HTKISXAUQXOVSS-HNNXBMFYSA-N 1 0 351.422 2.052 20 30 FEEDRO CCCCCCCCN1C(=O)C(=CNc2cc[nH+]cc2)C(=O)NC1=S ZINC000920979839 683385035 /nfs/dbraw/zinc/38/50/35/683385035.db2.gz YELYXGMVZOKIFF-FYWRMAATSA-N 1 0 360.483 2.403 20 30 FEEDRO C#CCN(C(=O)NCc1csc([C@@H](C)OC)n1)C1CC[NH+](C)CC1 ZINC000921374090 683445753 /nfs/dbraw/zinc/44/57/53/683445753.db2.gz ZYAITMVGJRPSEF-CYBMUJFWSA-N 1 0 350.488 2.090 20 30 FEEDRO C[NH+](C)CC[C@H](NS(=O)(=O)Cc1cccc(C#N)c1)c1cccnc1 ZINC000921482693 683482354 /nfs/dbraw/zinc/48/23/54/683482354.db2.gz SRCUFQQWKJWHJP-SFHVURJKSA-N 1 0 358.467 2.066 20 30 FEEDRO Cc1cccc(C[NH2+]CCNC(=O)C2N=CC=CC2=O)c1Br ZINC000921741465 683562567 /nfs/dbraw/zinc/56/25/67/683562567.db2.gz ICRRELXPMRLNTJ-FOCLMDBBSA-N 1 0 364.243 2.374 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCC2CCC(SC)CC2)CC1 ZINC000930010746 683668655 /nfs/dbraw/zinc/66/86/55/683668655.db2.gz XHIDVYRUNHLVBN-UHFFFAOYSA-N 1 0 367.559 2.181 20 30 FEEDRO CN(C[C@H]1CCCN(Cc2cc(Cl)cc(C#N)c2)C1)S(C)(=O)=O ZINC000930440551 683733028 /nfs/dbraw/zinc/73/30/28/683733028.db2.gz FLYUXOQTFYCARB-CYBMUJFWSA-N 1 0 355.891 2.315 20 30 FEEDRO C#Cc1ccc(NC(=O)CC[N@@H+]2CC[C@H](C(F)(F)F)[C@H](CO)C2)cc1 ZINC000930454475 683736335 /nfs/dbraw/zinc/73/63/35/683736335.db2.gz XPCHMGVUQJNTGM-HOCLYGCPSA-N 1 0 354.372 2.489 20 30 FEEDRO N#Cc1ccccc1OC[C@H](O)C[NH2+][C@@H]1CC[C@H]2SCCS[C@@H]12 ZINC000863553482 683741706 /nfs/dbraw/zinc/74/17/06/683741706.db2.gz CIBDOWOPZJTQPG-SRABZTEZSA-N 1 0 350.509 2.267 20 30 FEEDRO N#CC1(C[C@@H](O)C[NH2+]C[C@@H](O)c2c(F)cccc2Cl)CCOCC1 ZINC000863560839 683742015 /nfs/dbraw/zinc/74/20/15/683742015.db2.gz AUIPGFLVISFYDM-IUODEOHRSA-N 1 0 356.825 2.173 20 30 FEEDRO C#CCN(C(=O)NC[C@@H]1CSc2ccccc2O1)C1CC[NH+](C)CC1 ZINC000923017423 683820028 /nfs/dbraw/zinc/82/00/28/683820028.db2.gz AQTQNFMPLFRIHL-MRXNPFEDSA-N 1 0 359.495 2.279 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)NCC[C@H]2CSc3ccccc3O2)CC1 ZINC000923027054 683822513 /nfs/dbraw/zinc/82/25/13/683822513.db2.gz XBMSBCGECWFOAS-INIZCTEOSA-N 1 0 359.495 2.327 20 30 FEEDRO C[N@@H+]1CC[C@H](Cn2nnnc2Sc2cc(C(F)(F)F)cc(C#N)n2)C1 ZINC000865620597 684006176 /nfs/dbraw/zinc/00/61/76/684006176.db2.gz NPYMLAPFARSXBL-VIFPVBQESA-N 1 0 369.376 2.061 20 30 FEEDRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@@H]2Cc3ccc(C#N)cc3C2)c1 ZINC000866617499 684126884 /nfs/dbraw/zinc/12/68/84/684126884.db2.gz KHDQBKGVIZXJRO-SCLBCKFNSA-N 1 0 355.463 2.284 20 30 FEEDRO Cc1nn(C)c(NC(=O)N(CCC#N)CCC[NH+](C)C)c1C(F)(F)F ZINC000931351900 684266244 /nfs/dbraw/zinc/26/62/44/684266244.db2.gz AFQBBLLGOYSYAA-UHFFFAOYSA-N 1 0 360.384 2.447 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)Nc2ccnc(Br)c2C)CC1 ZINC000931548653 684301202 /nfs/dbraw/zinc/30/12/02/684301202.db2.gz JXQBAOYGWJKWMD-UHFFFAOYSA-N 1 0 351.248 2.372 20 30 FEEDRO C#CCN(C(=O)[C@H](CC)[NH+](C)C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000923683409 684330031 /nfs/dbraw/zinc/33/00/31/684330031.db2.gz IZNCXXIIGNNEKU-INIZCTEOSA-N 1 0 351.491 2.188 20 30 FEEDRO COc1cc(NC(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@H]23)c(F)cc1C#N ZINC000931983720 684382200 /nfs/dbraw/zinc/38/22/00/684382200.db2.gz JVAADDOYRIUVDU-UKRRQHHQSA-N 1 0 364.446 2.407 20 30 FEEDRO C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)c3ccc(C#N)cc3C(F)(F)F)CC[C@@H]21 ZINC000867812239 684396915 /nfs/dbraw/zinc/39/69/15/684396915.db2.gz ISFLBMHBUUHVLN-OCCSQVGLSA-N 1 0 373.400 2.292 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)Nc2c(Cl)n(C)nc2C(F)(F)F)CC1 ZINC000932088447 684404883 /nfs/dbraw/zinc/40/48/83/684404883.db2.gz MWMMFOJLXBSAHL-UHFFFAOYSA-N 1 0 363.771 2.311 20 30 FEEDRO N#Cc1cccc([C@H](NC(=O)N[C@@H]2C[NH2+]CCC2(F)F)C(F)(F)F)c1 ZINC000868211296 684465090 /nfs/dbraw/zinc/46/50/90/684465090.db2.gz UDEIEFBIYBJQSU-NEPJUHHUSA-N 1 0 362.302 2.458 20 30 FEEDRO N#CCCCC[C@H]([NH3+])C(=O)N[C@H]1COc2cccc(Br)c2C1 ZINC000871008352 684779456 /nfs/dbraw/zinc/77/94/56/684779456.db2.gz RZAXCHBWMNZAGF-RISCZKNCSA-N 1 0 366.259 2.280 20 30 FEEDRO C[NH+]1CCC(C=NNS(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000872326364 684937160 /nfs/dbraw/zinc/93/71/60/684937160.db2.gz GIRNNWXTYFBOCE-UHFFFAOYSA-N 1 0 360.277 2.055 20 30 FEEDRO Cc1cccc(C#N)c1S(=O)(=O)NC1CC[NH+](CCOC(C)C)CC1 ZINC000872457858 684954265 /nfs/dbraw/zinc/95/42/65/684954265.db2.gz DLPHEIRNQNQIHE-UHFFFAOYSA-N 1 0 365.499 2.034 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@H](CCC(=O)OC)C2)CC1 ZINC000875248337 685764680 /nfs/dbraw/zinc/76/46/80/685764680.db2.gz RKGKAOCBAZDRSO-MRXNPFEDSA-N 1 0 351.491 2.402 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H](CC)c1ccccc1OCC(=O)N(C)C ZINC000876592521 686225818 /nfs/dbraw/zinc/22/58/18/686225818.db2.gz SVPGIUIVBBNSOJ-GJZGRUSLSA-N 1 0 367.877 2.191 20 30 FEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC(C(=O)N2CCc3ccccc32)CC1 ZINC000876623303 686230292 /nfs/dbraw/zinc/23/02/92/686230292.db2.gz GLPFRKNPGSMHOO-MRXNPFEDSA-N 1 0 361.873 2.284 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N1CCN(C(=O)c2ccc(Cl)cc2F)CC1 ZINC000876642440 686235026 /nfs/dbraw/zinc/23/50/26/686235026.db2.gz AVQJTSOIOLGPBR-AWEZNQCLSA-N 1 0 374.243 2.233 20 30 FEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCN(C(=O)c2cc3occc3s2)CC1 ZINC000876675102 686240842 /nfs/dbraw/zinc/24/08/42/686240842.db2.gz CJGZJSPYPBKIED-LLVKDONJSA-N 1 0 367.858 2.249 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H](c1ccccc1Cl)N1CCOCC1 ZINC000876722391 686253374 /nfs/dbraw/zinc/25/33/74/686253374.db2.gz TXNLMANXXUXOPR-HOTGVXAUSA-N 1 0 372.296 2.299 20 30 FEEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)c1cc(-c2ccc(Cl)cc2Cl)on1 ZINC000876801796 686271712 /nfs/dbraw/zinc/27/17/12/686271712.db2.gz IRTRDCCHNAXEDC-AMIZOPFISA-N 1 0 351.193 2.490 20 30 FEEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)c1cc(Br)ccc1Br ZINC000876803869 686272383 /nfs/dbraw/zinc/27/23/83/686272383.db2.gz YLMPCHGRTMWVDN-RDDDGLTNSA-N 1 0 373.048 2.053 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1 ZINC000876902758 686291854 /nfs/dbraw/zinc/29/18/54/686291854.db2.gz GLLHKNSKBAYGOV-YDHLFZDLSA-N 1 0 356.253 2.198 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N1CCOC[C@@H]1c1noc(-c2ccccc2)n1 ZINC000876908152 686292976 /nfs/dbraw/zinc/29/29/76/686292976.db2.gz KBVJVZNEYJRFJT-UONOGXRCSA-N 1 0 362.817 2.106 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N1CCOC[C@H]1c1noc(-c2ccccc2)n1 ZINC000876908150 686293257 /nfs/dbraw/zinc/29/32/57/686293257.db2.gz KBVJVZNEYJRFJT-KBPBESRZSA-N 1 0 362.817 2.106 20 30 FEEDRO C[C@H]1C[NH+](C[C@H](O)c2ccc(Br)cc2)C[C@H](C)N1CC#N ZINC000878771352 686655247 /nfs/dbraw/zinc/65/52/47/686655247.db2.gz JNMDPKOAVPWZMV-XEZPLFJOSA-N 1 0 352.276 2.401 20 30 FEEDRO C[N@H+](CCc1cccc(C#N)c1)CC(=O)NC(=O)NCc1cccs1 ZINC000879434070 686820376 /nfs/dbraw/zinc/82/03/76/686820376.db2.gz DBIUBLRUZXCKQG-UHFFFAOYSA-N 1 0 356.451 2.120 20 30 FEEDRO CN(C)S(=O)(=O)c1ccc(C[N@H+](C)CCc2cccc(C#N)c2)cc1 ZINC000879432753 686820587 /nfs/dbraw/zinc/82/05/87/686820587.db2.gz FYZJNFBYXCUYDY-UHFFFAOYSA-N 1 0 357.479 2.483 20 30 FEEDRO COc1ccc([C@H]2CN(CC(=O)Nc3sccc3C#N)CC[NH2+]2)cc1 ZINC000879521145 686844198 /nfs/dbraw/zinc/84/41/98/686844198.db2.gz QWLKLCXEGSKGHK-MRXNPFEDSA-N 1 0 356.451 2.213 20 30 FEEDRO CCOC(=O)[C@@H]1C[N@H+](C[C@H](O)c2ccc(C#N)cc2)C[C@H]1C(F)(F)F ZINC000880156391 687007735 /nfs/dbraw/zinc/00/77/35/687007735.db2.gz FVQQYDNEDPHNJK-KFWWJZLASA-N 1 0 356.344 2.265 20 30 FEEDRO N#Cc1ccsc1NC(=O)CCN1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000880210430 687015870 /nfs/dbraw/zinc/01/58/70/687015870.db2.gz ATSYQNDPKQMLQL-MRXNPFEDSA-N 1 0 362.499 2.181 20 30 FEEDRO C=CCNC(=O)NC(=O)[C@H](C)N1CCC(CC)([NH+]2CCCCC2)CC1 ZINC000880256425 687023446 /nfs/dbraw/zinc/02/34/46/687023446.db2.gz HZPNRYVLOMMKEI-INIZCTEOSA-N 1 0 350.507 2.117 20 30 FEEDRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)Nc1cc(C#N)c(F)cc1F ZINC000880710231 687077190 /nfs/dbraw/zinc/07/71/90/687077190.db2.gz LMLIKDOYMYKGGK-LBPRGKRZSA-N 1 0 353.417 2.230 20 30 FEEDRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)Nc2cc(C#N)c(F)cc2F)C1 ZINC000880717030 687078193 /nfs/dbraw/zinc/07/81/93/687078193.db2.gz YJTDDQLESHUCMB-ZDUSSCGKSA-N 1 0 352.385 2.315 20 30 FEEDRO C=CCCc1ccc(S(=O)(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)cc1 ZINC000882417792 687364175 /nfs/dbraw/zinc/36/41/75/687364175.db2.gz BYDQMAKTIHLVTP-SFHVURJKSA-N 1 0 364.511 2.025 20 30 FEEDRO CC[NH+]1CCC(NC(=O)Nc2ccc(Br)c(C#N)n2)CC1 ZINC000883077046 687557810 /nfs/dbraw/zinc/55/78/10/687557810.db2.gz WIOKGFUZFWAIQP-UHFFFAOYSA-N 1 0 352.236 2.322 20 30 FEEDRO N#C[C@H]1C[NH2+]CC12CC(C(=O)NCC[C@@H]1CSc3ccccc3O1)C2 ZINC000884373856 687857861 /nfs/dbraw/zinc/85/78/61/687857861.db2.gz YBSWMLOWFYXDBN-UARSRXHTSA-N 1 0 357.479 2.185 20 30 FEEDRO C#CCN(C(=O)c1[nH]nc(C2CC2)c1Br)C1CC[NH+](C)CC1 ZINC000886582420 688279530 /nfs/dbraw/zinc/27/95/30/688279530.db2.gz UABIYUSIZWLGTK-UHFFFAOYSA-N 1 0 365.275 2.219 20 30 FEEDRO N#CCCc1ccc(S(=O)(=O)NC[C@@H]2[NH2+]CCc3ccccc32)cc1 ZINC000886886645 688332519 /nfs/dbraw/zinc/33/25/19/688332519.db2.gz NXLNWZXTVWZECQ-IBGZPJMESA-N 1 0 355.463 2.308 20 30 FEEDRO N#CCCc1ccc(S(=O)(=O)N2CCc3ccccc3[C@H]2C[NH3+])cc1 ZINC000886888241 688333521 /nfs/dbraw/zinc/33/35/21/688333521.db2.gz XDAUKSKOJXDERJ-LJQANCHMSA-N 1 0 355.463 2.390 20 30 FEEDRO CN1C(=O)C[C@H]([NH2+]C[C@@H](O)CC(C)(C)C#N)[C@H]1c1ccc(F)c(F)c1 ZINC000887112001 688369170 /nfs/dbraw/zinc/36/91/70/688369170.db2.gz CFQCRNBTNKUJKY-YLQAJVPDSA-N 1 0 351.397 2.127 20 30 FEEDRO C#CCC1([NH2+]CC(=O)NCCc2nc3ccccc3s2)CCOCC1 ZINC000887123213 688369714 /nfs/dbraw/zinc/36/97/14/688369714.db2.gz FGULQXAPGADONI-UHFFFAOYSA-N 1 0 357.479 2.117 20 30 FEEDRO N#Cc1sc(NC(=O)N2CCC[C@@H]([NH+]3CCOCC3)CC2)nc1Cl ZINC000888424063 688609930 /nfs/dbraw/zinc/60/99/30/688609930.db2.gz JLWJKANBHDJQMQ-LLVKDONJSA-N 1 0 369.878 2.387 20 30 FEEDRO C[NH+]1CCN(c2ncccc2CNc2cc(C#N)sc2[N+](=O)[O-])CC1 ZINC000892039901 689143440 /nfs/dbraw/zinc/14/34/40/689143440.db2.gz UYONTEJCJSXXPN-UHFFFAOYSA-N 1 0 358.427 2.287 20 30 FEEDRO CN1CC[NH+](CC2(C)CCN(c3cc(C#N)sc3[N+](=O)[O-])CC2)CC1 ZINC000893160017 689305993 /nfs/dbraw/zinc/30/59/93/689305993.db2.gz LQAFMHIDFIYRAO-UHFFFAOYSA-N 1 0 363.487 2.382 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)[C@@H](CC2CC2)NC(=O)OC(C)(C)C)CC1 ZINC000896209072 689838230 /nfs/dbraw/zinc/83/82/30/689838230.db2.gz SXJIGSPEPJLXCA-MRXNPFEDSA-N 1 0 351.491 2.446 20 30 FEEDRO N#Cc1ccc(CSc2nnc(NC(=O)N[C@H]3CC[NH2+]C3)s2)cc1 ZINC000519774098 690265304 /nfs/dbraw/zinc/26/53/04/690265304.db2.gz LYSKWVBSQZCTDX-LBPRGKRZSA-N 1 0 360.468 2.185 20 30 FEEDRO CC[N@@H+]1CCC[C@@H]1CNC(=S)N1CCO[C@H](c2ccc(C#N)cc2)C1 ZINC000899634919 690394306 /nfs/dbraw/zinc/39/43/06/690394306.db2.gz CHYUERGXCCLEOO-MSOLQXFVSA-N 1 0 358.511 2.290 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)NCCC(=O)Nc1ccc(Br)cc1 ZINC000900299265 690497489 /nfs/dbraw/zinc/49/74/89/690497489.db2.gz CTAPEEFYTCKEOL-UHFFFAOYSA-N 1 0 368.275 2.402 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)N1CSC[C@H]1C(=O)Nc1cccc(F)c1 ZINC000900555868 690531853 /nfs/dbraw/zinc/53/18/53/690531853.db2.gz MCMDSWPGXPMPKJ-HNNXBMFYSA-N 1 0 351.447 2.174 20 30 FEEDRO C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@@H]1CCc2ncc(Br)n2C1 ZINC000901730382 690685789 /nfs/dbraw/zinc/68/57/89/690685789.db2.gz WFYQOXWPCQMQSC-QWHCGFSZSA-N 1 0 369.307 2.363 20 30 FEEDRO CC[C@@H]1CN(S(=O)(=O)c2ccc(Br)c(C#N)c2)CC[C@@H]1[NH3+] ZINC000903495071 690900905 /nfs/dbraw/zinc/90/09/05/690900905.db2.gz RDFTVFLCIPLHET-YGRLFVJLSA-N 1 0 372.288 2.069 20 30 FEEDRO CC[C@H](C[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)C(=O)OC(C)(C)C ZINC000905551189 691138891 /nfs/dbraw/zinc/13/88/91/691138891.db2.gz CVEZKNMKLQLBGG-OAHLLOKOSA-N 1 0 366.483 2.289 20 30 FEEDRO CC(C)[N@H+](C)Cc1ccccc1CNS(=O)(=O)c1ccc(C#N)cn1 ZINC000906838481 691325198 /nfs/dbraw/zinc/32/51/98/691325198.db2.gz REUYDICWILVDCT-UHFFFAOYSA-N 1 0 358.467 2.272 20 30 FEEDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(S(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000906951252 691352343 /nfs/dbraw/zinc/35/23/43/691352343.db2.gz ROINTWIILYBZEK-DOTOQJQBSA-N 1 0 362.499 2.228 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)N1CCC[C@@H]1c1nc(C(=O)OCC)cs1 ZINC000907711814 691544749 /nfs/dbraw/zinc/54/47/49/691544749.db2.gz BLXIQOWQRSAREM-CQSZACIVSA-N 1 0 351.472 2.491 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F ZINC000908996536 691763702 /nfs/dbraw/zinc/76/37/02/691763702.db2.gz IXEQOXBVHQBJRA-CYBMUJFWSA-N 1 0 361.433 2.255 20 30 FEEDRO COC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CC[NH+](CC(C)C)CC1 ZINC001164657235 719337503 /nfs/dbraw/zinc/33/75/03/719337503.db2.gz DYJHRNBYBIKOAW-HNNXBMFYSA-N 1 0 367.453 2.188 20 30 FEEDRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncc(C#N)cc1C#N)C2 ZINC001164806383 720093672 /nfs/dbraw/zinc/09/36/72/720093672.db2.gz BTZGDOYKFYYYIG-QUCCMNQESA-N 1 0 351.454 2.010 20 30 FEEDRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2cc(CC#N)ccn2)CC1 ZINC001164831381 720329847 /nfs/dbraw/zinc/32/98/47/720329847.db2.gz RRBDHNXAZMTHHT-RBUKOAKNSA-N 1 0 367.497 2.059 20 30 FEEDRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2nc3c(cc2C#N)CCCC3)C1 ZINC001164734554 720524105 /nfs/dbraw/zinc/52/41/05/720524105.db2.gz QGDGZJCXDQUXGW-OAHLLOKOSA-N 1 0 350.470 2.227 20 30 FEEDRO Cc1nc(C#N)cnc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164839297 720585862 /nfs/dbraw/zinc/58/58/62/720585862.db2.gz NDSMYJHYIGIUAS-YTQUADARSA-N 1 0 365.485 2.231 20 30 FEEDRO Cc1cc(C#N)c(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)nc1C ZINC001164865962 721075369 /nfs/dbraw/zinc/07/53/69/721075369.db2.gz QLFJPBSOLTZPTQ-PMACEKPBSA-N 1 0 363.465 2.445 20 30 FEEDRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ncc(C#N)cc4Cl)C[C@H]3C2)cn1 ZINC001164765800 721081387 /nfs/dbraw/zinc/08/13/87/721081387.db2.gz JUTQTOJCEBBVSC-HZPDHXFCSA-N 1 0 356.861 2.298 20 30 FEEDRO Cc1nc(Cl)nc(N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@H]3C2)c1C#N ZINC001164771359 721138445 /nfs/dbraw/zinc/13/84/45/721138445.db2.gz SGXOSKOJZPOGRO-GJZGRUSLSA-N 1 0 371.876 2.002 20 30 FEEDRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4[nH]ccc5ncc(C#N)c4-5)C[C@H]3C2)cn1 ZINC001164773334 721180294 /nfs/dbraw/zinc/18/02/94/721180294.db2.gz WHTHXEVHRNFIEB-DOTOQJQBSA-N 1 0 361.453 2.126 20 30 FEEDRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nc5c(cc4C#N)CCC5)C[C@@H]3C2)cn1 ZINC001164762659 721199687 /nfs/dbraw/zinc/19/96/87/721199687.db2.gz DCBDZOJLMBGMJK-MJGOQNOKSA-N 1 0 362.481 2.134 20 30 FEEDRO Cc1ccc(C#N)c(N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164891895 721393665 /nfs/dbraw/zinc/39/36/65/721393665.db2.gz RJMOVONTNSXJLC-TZIWHRDSSA-N 1 0 369.513 2.027 20 30 FEEDRO N#Cc1ccnc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c1F ZINC001164980435 722117039 /nfs/dbraw/zinc/11/70/39/722117039.db2.gz RECRPXRDMSGRFC-ZWKOTPCHSA-N 1 0 367.428 2.215 20 30 FEEDRO C=CCN1C(=O)c2ccc(C(=O)Nc3ccn(-c4cc[nH+]cc4)n3)cc2C1=O ZINC000505118779 887155821 /nfs/dbraw/zinc/15/58/21/887155821.db2.gz HHEAXAOIOZKNKQ-UHFFFAOYSA-N 1 0 373.372 2.302 20 30 FEEDRO C#CCOc1cccc(Cl)c1C[NH2+][C@H]1CCC[C@@H]1CNS(C)(=O)=O ZINC000800310328 674040836 /nfs/dbraw/zinc/04/08/36/674040836.db2.gz WWTJIITUGMNTBW-CJNGLKHVSA-N 1 0 370.902 2.160 20 30 FEEDRO COC(=O)c1ccc(C[N@H+](C)C[C@@H](O)COc2ccc(CC#N)cc2)cc1 ZINC000027207691 539802083 /nfs/dbraw/zinc/80/20/83/539802083.db2.gz CONIROKCKMEBGE-LJQANCHMSA-N 1 0 368.433 2.411 20 30 FEEDRO N#Cc1ccc(OCC[NH+]2CCC(C(=O)NCC(F)(F)F)CC2)cc1 ZINC000027779241 539817181 /nfs/dbraw/zinc/81/71/81/539817181.db2.gz OLSYKPYGUIAPSI-UHFFFAOYSA-N 1 0 355.360 2.328 20 30 FEEDRO C=CCNC(=[NH2+])SCC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000029477857 539854478 /nfs/dbraw/zinc/85/44/78/539854478.db2.gz ZEVNPGLQCXYIQJ-CQSZACIVSA-N 1 0 361.467 2.355 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)CCNC(=O)C(C)(C)C ZINC000047010322 540284774 /nfs/dbraw/zinc/28/47/74/540284774.db2.gz DNNGCPHUGROIST-UHFFFAOYSA-N 1 0 358.486 2.001 20 30 FEEDRO C#CCOc1ccccc1C[NH2+]Cc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000047771078 540327797 /nfs/dbraw/zinc/32/77/97/540327797.db2.gz MCXLUNVGQWXBOC-UHFFFAOYSA-N 1 0 358.463 2.239 20 30 FEEDRO COc1ccc(C#N)cc1NC(=O)C(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000050165935 540401684 /nfs/dbraw/zinc/40/16/84/540401684.db2.gz RHGMZZUOGJUPBT-UHFFFAOYSA-N 1 0 372.469 2.134 20 30 FEEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1S[C@@H](C)C(=O)N(C)C ZINC000052485705 540467916 /nfs/dbraw/zinc/46/79/16/540467916.db2.gz XHRIBUHBQVJJPV-AWEZNQCLSA-N 1 0 351.520 2.061 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)CC1 ZINC000057152693 540773614 /nfs/dbraw/zinc/77/36/14/540773614.db2.gz VFULCSRJWBEKIS-GOSISDBHSA-N 1 0 354.450 2.467 20 30 FEEDRO COc1cc(C#N)ccc1OCC(=O)N[C@H](C)C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000060016029 540867223 /nfs/dbraw/zinc/86/72/23/540867223.db2.gz NPAZCFPJZSRALB-HRCADAONSA-N 1 0 359.470 2.428 20 30 FEEDRO COc1cccc(OC)c1OC[C@H](O)C[N@H+](C)Cc1ccc(C#N)cc1 ZINC000063495124 541171661 /nfs/dbraw/zinc/17/16/61/541171661.db2.gz WJRSRVIFQKCUBI-QGZVFWFLSA-N 1 0 356.422 2.447 20 30 FEEDRO CC(C)S(=O)(=O)c1ccc(C(=O)N(CCC#N)CCC[NH+](C)C)cc1 ZINC000064361161 541203264 /nfs/dbraw/zinc/20/32/64/541203264.db2.gz TWEMORZFQGESNI-UHFFFAOYSA-N 1 0 365.499 2.176 20 30 FEEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1COc2ccccc2O1 ZINC000065930009 541272376 /nfs/dbraw/zinc/27/23/76/541272376.db2.gz SEVTWQHPHZZHHE-FQEVSTJZSA-N 1 0 365.433 2.288 20 30 FEEDRO N#CCCCOc1cccc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000066223081 541292928 /nfs/dbraw/zinc/29/29/28/541292928.db2.gz BSVRPHHIEGCMRI-QGZVFWFLSA-N 1 0 370.453 2.004 20 30 FEEDRO C[NH+](C)Cc1cccc(CNC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)c1 ZINC000066240493 541294398 /nfs/dbraw/zinc/29/43/98/541294398.db2.gz OYZSAVLNNHQYME-UHFFFAOYSA-N 1 0 374.448 2.318 20 30 FEEDRO C[C@H]1C[N@@H+](C2CCN(C(=O)/C=C/c3ccc(OCC#N)cc3)CC2)CCO1 ZINC000066396088 541313734 /nfs/dbraw/zinc/31/37/34/541313734.db2.gz XBNUZJOWHRMPQH-PFWMLDTASA-N 1 0 369.465 2.314 20 30 FEEDRO CN(CC[NH+]1CCCC1)C(=O)CCC(=O)N(CCC#N)c1ccccc1 ZINC000066625039 541348552 /nfs/dbraw/zinc/34/85/52/541348552.db2.gz LWMCVIRKITYVQJ-UHFFFAOYSA-N 1 0 356.470 2.268 20 30 FEEDRO C[NH+](C)CCNC(=O)c1cccc(CNc2ccc(C#N)cc2[N+](=O)[O-])c1 ZINC000066816503 541375344 /nfs/dbraw/zinc/37/53/44/541375344.db2.gz CQFSAXKAMVQYLO-UHFFFAOYSA-N 1 0 367.409 2.370 20 30 FEEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000066944745 541398667 /nfs/dbraw/zinc/39/86/67/541398667.db2.gz AADBAENYBVOFHQ-GOSISDBHSA-N 1 0 357.502 2.433 20 30 FEEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000066944746 541398774 /nfs/dbraw/zinc/39/87/74/541398774.db2.gz AADBAENYBVOFHQ-SFHVURJKSA-N 1 0 357.502 2.433 20 30 FEEDRO CCOc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H](C(C)C)[NH+]1CCCC1 ZINC000067375411 541451612 /nfs/dbraw/zinc/45/16/12/541451612.db2.gz GKQOGAQBRBVWNB-KRWDZBQOSA-N 1 0 372.469 2.132 20 30 FEEDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1 ZINC000067397799 541456374 /nfs/dbraw/zinc/45/63/74/541456374.db2.gz AXSNUUOWUWEMIM-CHWSQXEVSA-N 1 0 362.861 2.387 20 30 FEEDRO C=C(C)COc1cccc(NC(=O)C(=O)NC[C@H](C)C[NH+]2CCCC2)c1 ZINC000067532015 541475655 /nfs/dbraw/zinc/47/56/55/541475655.db2.gz VLOLSPIHVSDNEQ-INIZCTEOSA-N 1 0 359.470 2.428 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)CCc1cnn(-c2ccccc2)c1 ZINC000069576426 541698157 /nfs/dbraw/zinc/69/81/57/541698157.db2.gz VPCFCJVFSMSWTR-UHFFFAOYSA-N 1 0 353.470 2.499 20 30 FEEDRO N#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@]3(CNC(=O)C3)C2)cc1Cl ZINC000072829391 541874864 /nfs/dbraw/zinc/87/48/64/541874864.db2.gz LJFVCQOSTDRMNX-SFHVURJKSA-N 1 0 360.845 2.142 20 30 FEEDRO O=S1(=O)CC[C@H](CNC(=[NH+]C2CCCC2)N2CCc3ccccc32)C1 ZINC000073025909 541910829 /nfs/dbraw/zinc/91/08/29/541910829.db2.gz KKQMRKULGGFSJJ-OAHLLOKOSA-N 1 0 361.511 2.372 20 30 FEEDRO CC(C)[C@H](CNC(=O)N[C@@H](C)c1cccc(C#N)c1)[NH+]1CCN(C)CC1 ZINC000073595964 541971331 /nfs/dbraw/zinc/97/13/31/541971331.db2.gz SGQRUFKHMFJIBX-LPHOPBHVSA-N 1 0 357.502 2.190 20 30 FEEDRO COC(=O)[C@@H]1CCC[C@@H](C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)C1 ZINC000073705398 541989212 /nfs/dbraw/zinc/98/92/12/541989212.db2.gz FRRICYRZNFVATE-RTBURBONSA-N 1 0 371.481 2.428 20 30 FEEDRO Cc1nc(CN2CC[NH+](CCC(=O)Nc3cccc(C#N)c3)CC2)cs1 ZINC000074085416 542034174 /nfs/dbraw/zinc/03/41/74/542034174.db2.gz ORFLGOBMDNAUAA-UHFFFAOYSA-N 1 0 369.494 2.470 20 30 FEEDRO COc1cc(C#N)ccc1OCC(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000074297608 542066514 /nfs/dbraw/zinc/06/65/14/542066514.db2.gz RMLQQWDUVXPPIN-QGZVFWFLSA-N 1 0 357.454 2.136 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N1CCSCC[C@H]1C)C(C)C ZINC000551221450 674132621 /nfs/dbraw/zinc/13/26/21/674132621.db2.gz IUJDSAPFHGMYOL-SJORKVTESA-N 1 0 367.559 2.155 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000074655350 542106997 /nfs/dbraw/zinc/10/69/97/542106997.db2.gz TUPVVEGXVWVSBY-INIZCTEOSA-N 1 0 350.532 2.329 20 30 FEEDRO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[NH+]1CCC2(CNC(=O)C2)CC1 ZINC000075014076 542145066 /nfs/dbraw/zinc/14/50/66/542145066.db2.gz JFYIVQAQHZRDGU-OAHLLOKOSA-N 1 0 372.444 2.063 20 30 FEEDRO C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](C(=O)N(CCC)CC(F)(F)F)C1 ZINC000075926236 542216621 /nfs/dbraw/zinc/21/66/21/542216621.db2.gz SHPPYHHUGDKNSL-KBPBESRZSA-N 1 0 363.424 2.190 20 30 FEEDRO C=CCSCCNC(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000075976013 542221463 /nfs/dbraw/zinc/22/14/63/542221463.db2.gz IFRWLCCADLZNEQ-GOSISDBHSA-N 1 0 362.543 2.194 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(OCC3CC3)cc2)CC1 ZINC000076512878 542288086 /nfs/dbraw/zinc/28/80/86/542288086.db2.gz WWAHZOWORGCPTR-UHFFFAOYSA-N 1 0 357.454 2.181 20 30 FEEDRO C[NH+]1CCN(c2ncccc2CNc2c(C#N)nnc3ccccc32)CC1 ZINC000077213197 542355595 /nfs/dbraw/zinc/35/55/95/542355595.db2.gz PVXXLBNTUHVVFR-UHFFFAOYSA-N 1 0 359.437 2.260 20 30 FEEDRO Cn1c(Sc2c(C#N)nnc3ccccc32)nnc1[C@H]1CCC[NH2+]C1 ZINC000077225497 542355922 /nfs/dbraw/zinc/35/59/22/542355922.db2.gz IRFOSOCOSLFHJY-NSHDSACASA-N 1 0 351.439 2.248 20 30 FEEDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C(=O)Nc2ccc(F)c(C#N)c2)C1 ZINC000077538885 542394325 /nfs/dbraw/zinc/39/43/25/542394325.db2.gz BXBSUJXWWZEGLT-ZIAGYGMSSA-N 1 0 360.433 2.120 20 30 FEEDRO C=CC[C@H](C)NC(=O)C(=O)Nc1ccc(N(C)C2CC[NH+](C)CC2)cc1 ZINC000077769163 542418613 /nfs/dbraw/zinc/41/86/13/542418613.db2.gz IVOXQZSGDYKGCZ-HNNXBMFYSA-N 1 0 358.486 2.236 20 30 FEEDRO C=C(Cl)CNC(=O)C(=O)Nc1ccc(N(C)C2CC[NH+](C)CC2)cc1 ZINC000077779000 542419738 /nfs/dbraw/zinc/41/97/38/542419738.db2.gz WSMCDMMQCOWSHQ-UHFFFAOYSA-N 1 0 364.877 2.024 20 30 FEEDRO C=CCSCCNC(=O)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000077831562 542424825 /nfs/dbraw/zinc/42/48/25/542424825.db2.gz UKKIVLWWLZZWCA-UHFFFAOYSA-N 1 0 361.511 2.299 20 30 FEEDRO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]CCO[C@H](C)C#N)cc1 ZINC000801930934 674155722 /nfs/dbraw/zinc/15/57/22/674155722.db2.gz ZWMOZZAINWWBGR-CABCVRRESA-N 1 0 353.488 2.296 20 30 FEEDRO C[C@H](CNC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1)C[NH+]1CCCC1 ZINC000079633796 542532715 /nfs/dbraw/zinc/53/27/15/542532715.db2.gz CMKILCGYADACCH-GOSISDBHSA-N 1 0 369.513 2.117 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N[C@H]1CCCn2c(C)nnc21)C(C)C ZINC000080077611 542563266 /nfs/dbraw/zinc/56/32/66/542563266.db2.gz FEZKQODXFWXXKO-IRXDYDNUSA-N 1 0 360.506 2.419 20 30 FEEDRO C[N@H+](CCC(=O)Nc1ccc(C#N)cc1)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000081097806 542633692 /nfs/dbraw/zinc/63/36/92/542633692.db2.gz QEVRFDCZJIIVNJ-IRXDYDNUSA-N 1 0 363.483 2.174 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)CCN2CCC[C@@H]([NH+]3CCCCC3)C2)cc1 ZINC000081513302 542662316 /nfs/dbraw/zinc/66/23/16/542662316.db2.gz XRCKHFHRLAWPGZ-GOSISDBHSA-N 1 0 361.511 2.282 20 30 FEEDRO C[N@H+](CCC(=O)Nc1cccc(C#N)c1)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000084089949 542706677 /nfs/dbraw/zinc/70/66/77/542706677.db2.gz NMWDHUWOTSOMAX-SJORKVTESA-N 1 0 363.483 2.174 20 30 FEEDRO COC(=O)c1ccc(F)c(NC(=O)N(CCC#N)CCC[NH+](C)C)c1 ZINC000086282772 542734919 /nfs/dbraw/zinc/73/49/19/542734919.db2.gz JNFPEARPCUWVOF-UHFFFAOYSA-N 1 0 350.394 2.312 20 30 FEEDRO C[NH+]=C(NCc1cnc(N(C)C)n1C)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000087497156 542746448 /nfs/dbraw/zinc/74/64/48/542746448.db2.gz LGCJMJPQBDDLNO-RYUDHWBXSA-N 1 0 360.428 2.272 20 30 FEEDRO N#Cc1ccc(Cl)c(NC(=O)C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)c1 ZINC000088775617 542756640 /nfs/dbraw/zinc/75/66/40/542756640.db2.gz HRLVMPLZNZSFIC-AWEZNQCLSA-N 1 0 360.845 2.237 20 30 FEEDRO COc1cc(C#N)ccc1OCC[NH+]1CCC([C@@H](O)c2nccn2C)CC1 ZINC000089925623 542773429 /nfs/dbraw/zinc/77/34/29/542773429.db2.gz XEVFOOBXFCUARV-LJQANCHMSA-N 1 0 370.453 2.125 20 30 FEEDRO Cn1ccnc1[C@@H](O)C1CC[NH+](CCC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000089926130 542774061 /nfs/dbraw/zinc/77/40/61/542774061.db2.gz PEZAYKSZUYHOKB-IBGZPJMESA-N 1 0 367.453 2.066 20 30 FEEDRO CN(CCC#N)C(=O)CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1 ZINC000092798948 542887840 /nfs/dbraw/zinc/88/78/40/542887840.db2.gz VLSANLFWXGHJNY-GOSISDBHSA-N 1 0 356.470 2.033 20 30 FEEDRO COc1cncc(N2CC[NH+](Cc3ccc(N(C)CCC#N)cc3)CC2)n1 ZINC000093477471 542932430 /nfs/dbraw/zinc/93/24/30/542932430.db2.gz VUGOYPMOFKWBMI-UHFFFAOYSA-N 1 0 366.469 2.157 20 30 FEEDRO C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCC(C(=O)Nc2ccc(F)cc2)CC1 ZINC000101917699 543049163 /nfs/dbraw/zinc/04/91/63/543049163.db2.gz NJSDIEYZHJDBJI-AWEZNQCLSA-N 1 0 360.433 2.237 20 30 FEEDRO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccc(F)c(C#N)c1)c1cccc(F)c1 ZINC000102962289 543086919 /nfs/dbraw/zinc/08/69/19/543086919.db2.gz LUGSCKAVULXHAJ-QGZVFWFLSA-N 1 0 372.375 2.194 20 30 FEEDRO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000103284912 543101392 /nfs/dbraw/zinc/10/13/92/543101392.db2.gz WPZRKSCFPJAPSC-KGLIPLIRSA-N 1 0 362.861 2.172 20 30 FEEDRO C=C(C)COc1cccc(NC(=O)C(=O)N(C)CC2CC[NH+](C)CC2)c1 ZINC000103632278 543116008 /nfs/dbraw/zinc/11/60/08/543116008.db2.gz RJUADBFUYGBWME-UHFFFAOYSA-N 1 0 359.470 2.380 20 30 FEEDRO C=CCNC(=O)NC(=O)C[N@H+](C)CCCc1cc(-c2ccc(F)cc2)n[nH]1 ZINC000104058743 543121334 /nfs/dbraw/zinc/12/13/34/543121334.db2.gz PGCOIZCIIMNAHL-UHFFFAOYSA-N 1 0 373.432 2.092 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(N3CCOCC3)nc2)CC1 ZINC000106252924 543221032 /nfs/dbraw/zinc/22/10/32/543221032.db2.gz KVFCYYQXYAIPPO-UHFFFAOYSA-N 1 0 359.474 2.080 20 30 FEEDRO CC[NH+](CC)[C@H](CNC(=O)N1CCO[C@@H](C#N)C1)c1cccc(OC)c1 ZINC000106329734 543223383 /nfs/dbraw/zinc/22/33/83/543223383.db2.gz CCYFWCDDUFAOTJ-ZWKOTPCHSA-N 1 0 360.458 2.012 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@@H](CNC(=O)CCC)C2)CC1 ZINC000106340897 543224844 /nfs/dbraw/zinc/22/48/44/543224844.db2.gz GLVGPFHROFTPQA-KRWDZBQOSA-N 1 0 364.534 2.365 20 30 FEEDRO C=CCOc1cccc(NC(=O)N2CC[C@H](N3CC[NH+](CC)CC3)C2)c1 ZINC000106942700 543257574 /nfs/dbraw/zinc/25/75/74/543257574.db2.gz NFBCCIHSXZKMGZ-SFHVURJKSA-N 1 0 358.486 2.495 20 30 FEEDRO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)Nc1ccccc1SCCC#N ZINC000108606473 543297185 /nfs/dbraw/zinc/29/71/85/543297185.db2.gz HDVZMITZWVABML-CQSZACIVSA-N 1 0 362.499 2.477 20 30 FEEDRO C#CCOc1cccc(NC(=O)C(=O)NCCCC[N@H+]2CCCC[C@H]2C)c1 ZINC000108606929 543297385 /nfs/dbraw/zinc/29/73/85/543297385.db2.gz IDNGKHNQSWHRIP-QGZVFWFLSA-N 1 0 371.481 2.408 20 30 FEEDRO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCCC[C@@H]1CN1CCOCC1 ZINC000109820621 543340410 /nfs/dbraw/zinc/34/04/10/543340410.db2.gz ZUBDFUPRPZJXKE-MRXNPFEDSA-N 1 0 362.499 2.135 20 30 FEEDRO COc1ccc([C@H](CO)[N@H+](C)C[C@H](O)COc2ccc(CC#N)cc2)cc1 ZINC000113510072 543489049 /nfs/dbraw/zinc/48/90/49/543489049.db2.gz LPLDSKZJJFECFI-RXVVDRJESA-N 1 0 370.449 2.166 20 30 FEEDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2ccccc2OCC#N)[C@H](C)C1 ZINC000115273542 543557853 /nfs/dbraw/zinc/55/78/53/543557853.db2.gz DGLHHNRLCRVWEK-SJLPKXTDSA-N 1 0 359.470 2.456 20 30 FEEDRO C[NH+](C)Cc1cc(CNC(=O)C(=O)Nc2cccc(C#N)c2)ccc1F ZINC000115880323 543592700 /nfs/dbraw/zinc/59/27/00/543592700.db2.gz IJMBVVNHFNPNIS-UHFFFAOYSA-N 1 0 354.385 2.014 20 30 FEEDRO C=CC[C@@H](C)NC(=O)C(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000117074394 543622494 /nfs/dbraw/zinc/62/24/94/543622494.db2.gz FXTUCPJJPWLTAF-MRXNPFEDSA-N 1 0 370.497 2.238 20 30 FEEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N(C)CCC[NH+](C)C ZINC000121015735 543688147 /nfs/dbraw/zinc/68/81/47/543688147.db2.gz CJQNTYSZCIGKQK-AWEZNQCLSA-N 1 0 362.499 2.429 20 30 FEEDRO C=CCN(C)C(=O)C(=O)Nc1cccc(NC(=O)C[NH+]2CCCCCC2)c1 ZINC000121338141 543692910 /nfs/dbraw/zinc/69/29/10/543692910.db2.gz JVSOGDBPLPHLLL-UHFFFAOYSA-N 1 0 372.469 2.084 20 30 FEEDRO C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2ccccc2SCCC#N)C1 ZINC000118898541 543661685 /nfs/dbraw/zinc/66/16/85/543661685.db2.gz AJFKAPSHIFSTPY-AWEZNQCLSA-N 1 0 360.483 2.089 20 30 FEEDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)C#Cc2ccc3c(c2)OCO3)[C@H](C)C1 ZINC000119301689 543665694 /nfs/dbraw/zinc/66/56/94/543665694.db2.gz VYWGVTBWOMUQIF-SJLPKXTDSA-N 1 0 372.465 2.020 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000122102589 543703437 /nfs/dbraw/zinc/70/34/37/543703437.db2.gz QHLQYVDHXIXENN-UHFFFAOYSA-N 1 0 370.375 2.338 20 30 FEEDRO C[N@H+](CCOc1cccc(CNc2cnc(C#N)cn2)c1)C1CCOCC1 ZINC000123667301 543775830 /nfs/dbraw/zinc/77/58/30/543775830.db2.gz CRKYUTFVCDYORH-UHFFFAOYSA-N 1 0 367.453 2.450 20 30 FEEDRO C[C@H](c1ccccc1)[N@H+](CCC(=O)Nc1sccc1C#N)CC(N)=O ZINC000123845928 543787144 /nfs/dbraw/zinc/78/71/44/543787144.db2.gz BAYQCCQGUFAJIS-CYBMUJFWSA-N 1 0 356.451 2.497 20 30 FEEDRO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3CCCC[C@@H]3CC(C)C)CC2)o1 ZINC000123648872 543775086 /nfs/dbraw/zinc/77/50/86/543775086.db2.gz JFMROCIWTGNSKB-QGZVFWFLSA-N 1 0 373.501 2.404 20 30 FEEDRO C=CCc1cc(C[N@@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)cc(OC)c1O ZINC000124451006 543822250 /nfs/dbraw/zinc/82/22/50/543822250.db2.gz MRIHDEWGIFDDFP-GOSISDBHSA-N 1 0 374.481 2.200 20 30 FEEDRO C[C@H](C(=O)N(C)CCC#N)[NH+]1CCC(c2nc(C(F)(F)F)c[nH]2)CC1 ZINC000125624321 543892527 /nfs/dbraw/zinc/89/25/27/543892527.db2.gz QGVVYTFAFJJFNT-LLVKDONJSA-N 1 0 357.380 2.368 20 30 FEEDRO CN(C(=O)C1(C#N)CCOCC1)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000126909499 543962657 /nfs/dbraw/zinc/96/26/57/543962657.db2.gz IGAMQJUXMLKERD-UHFFFAOYSA-N 1 0 357.454 2.444 20 30 FEEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)[C@H](C)C1 ZINC000127366079 543988337 /nfs/dbraw/zinc/98/83/37/543988337.db2.gz RROQHEKLSZVDFB-RDTXWAMCSA-N 1 0 366.469 2.128 20 30 FEEDRO C#CCC[NH+]1CCN(Cc2csc(CC(=O)Nc3ccccc3)n2)CC1 ZINC000127405439 543990712 /nfs/dbraw/zinc/99/07/12/543990712.db2.gz OYKUQTIXWRYMQZ-UHFFFAOYSA-N 1 0 368.506 2.465 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCN(CC(F)F)[C@H](CC)C2)CC1 ZINC000127642245 544005299 /nfs/dbraw/zinc/00/52/99/544005299.db2.gz DEYXQCXGISWHBV-MRXNPFEDSA-N 1 0 358.477 2.398 20 30 FEEDRO C=CCN1C(=O)c2ccc(C(=O)N3CC[C@H](C[NH+]4CCCC4)C3)cc2C1=O ZINC000128240751 544040968 /nfs/dbraw/zinc/04/09/68/544040968.db2.gz NKBKWBMULKYOII-OAHLLOKOSA-N 1 0 367.449 2.027 20 30 FEEDRO COC(=O)c1ccccc1CN1CCCN(c2ncccc2C#N)CC1 ZINC000129631736 544121293 /nfs/dbraw/zinc/12/12/93/544121293.db2.gz HRRVFSOOEKQWEW-UHFFFAOYSA-N 1 0 350.422 2.452 20 30 FEEDRO C=CCN1C(=O)c2ccc(C(=O)NC3CCC(C[NH+](C)C)CC3)cc2C1=O ZINC000130131149 544139813 /nfs/dbraw/zinc/13/98/13/544139813.db2.gz ICRSABJPHHVCCA-UHFFFAOYSA-N 1 0 369.465 2.319 20 30 FEEDRO CC[NH+]1CCN(CCC(=O)Nc2cccc(C#Cc3ccccn3)c2)CC1 ZINC000130542774 544155007 /nfs/dbraw/zinc/15/50/07/544155007.db2.gz BTRAKYVBZFFJRM-UHFFFAOYSA-N 1 0 362.477 2.448 20 30 FEEDRO C=CC[C@H](C)[C@@H](C)[NH2+]C1CCN(S(=O)(=O)[N-]CC(F)(F)F)CC1 ZINC000130535760 544155225 /nfs/dbraw/zinc/15/52/25/544155225.db2.gz XIITUHNKQRKGNA-NWDGAFQWSA-N 1 0 357.442 2.038 20 30 FEEDRO N#Cc1ccc(CN2CCCN(C(=O)[C@H]3CCn4cncc4C3)CC2)cc1 ZINC000130572507 544156430 /nfs/dbraw/zinc/15/64/30/544156430.db2.gz DEILIYILGFNRTE-IBGZPJMESA-N 1 0 363.465 2.052 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1nc(N2CCCC2)ncc1Cl ZINC000130770592 544163999 /nfs/dbraw/zinc/16/39/99/544163999.db2.gz DHLXXEDWLVQIKN-UHFFFAOYSA-N 1 0 364.881 2.038 20 30 FEEDRO CC(C)(C#N)c1ccccc1C[NH+]1CCC(N2CCC[C@H]2C(N)=O)CC1 ZINC000131338731 544186407 /nfs/dbraw/zinc/18/64/07/544186407.db2.gz ITHQATDYGDGDHL-IBGZPJMESA-N 1 0 354.498 2.402 20 30 FEEDRO N#CCCN(C(=O)C[NH2+][C@@H]1CCCC[C@H]1C(N)=O)c1cccc(Cl)c1 ZINC000131166909 544179266 /nfs/dbraw/zinc/17/92/66/544179266.db2.gz MAXWHDSRQWULPR-HZPDHXFCSA-N 1 0 362.861 2.220 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N2CCCN(C(=O)c3cccc(C)c3)CC2)CC1 ZINC000098093209 222228769 /nfs/dbraw/zinc/22/87/69/222228769.db2.gz VEDNDGUNZOTOFE-UHFFFAOYSA-N 1 0 367.493 2.015 20 30 FEEDRO C=C(C)COCCNC(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000131818783 544208358 /nfs/dbraw/zinc/20/83/58/544208358.db2.gz FAZLFVOUMSBPJU-UHFFFAOYSA-N 1 0 361.486 2.035 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N[C@@H]2CCN(C)[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000133154693 544258014 /nfs/dbraw/zinc/25/80/14/544258014.db2.gz VQTZYKUKMUBYEY-MOPGFXCFSA-N 1 0 361.436 2.171 20 30 FEEDRO C[C@@H](CNC(=O)N1CC(Oc2ccc(C#N)cc2)C1)C[NH+]1CCCCC1 ZINC000133794850 544283824 /nfs/dbraw/zinc/28/38/24/544283824.db2.gz DYFIQBHCRUZLDP-INIZCTEOSA-N 1 0 356.470 2.453 20 30 FEEDRO C[NH+](C)CC(C)(C)CNC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 ZINC000134084827 544293685 /nfs/dbraw/zinc/29/36/85/544293685.db2.gz WJPCKFXDLLCKIO-UHFFFAOYSA-N 1 0 365.499 2.082 20 30 FEEDRO C=C(C)COCCNC(=O)NCc1ccccc1CN1CC[NH+](CC)CC1 ZINC000135033723 544331551 /nfs/dbraw/zinc/33/15/51/544331551.db2.gz MVBOXRMNSFXUGP-UHFFFAOYSA-N 1 0 374.529 2.216 20 30 FEEDRO CCOC(=O)N1CCC(NC(=[NH2+])NCCc2cccc(OCC)c2)CC1 ZINC000135114938 544334541 /nfs/dbraw/zinc/33/45/41/544334541.db2.gz JFOCDFUAWOBAMP-UHFFFAOYSA-N 1 0 362.474 2.153 20 30 FEEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)NC[C@H]3CCCCO3)CC2)cc1 ZINC000139406940 544402171 /nfs/dbraw/zinc/40/21/71/544402171.db2.gz BWGRIMPTKYBXAA-LJQANCHMSA-N 1 0 356.470 2.345 20 30 FEEDRO C=CCCCCC[N@@H+](C)CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 ZINC000150877790 544481949 /nfs/dbraw/zinc/48/19/49/544481949.db2.gz OQJFLRVYRMRBIA-UHFFFAOYSA-N 1 0 359.474 2.182 20 30 FEEDRO C=CCCCCC[N@@H+](C)[C@H](C)C(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000150879170 544482402 /nfs/dbraw/zinc/48/24/02/544482402.db2.gz ACHMUXPLNUBVPY-CQSZACIVSA-N 1 0 353.488 2.339 20 30 FEEDRO C[NH+](C)CCN(Cc1cccc(O)c1)C(=O)Cc1ccc(OCC#N)cc1 ZINC000153552059 544789507 /nfs/dbraw/zinc/78/95/07/544789507.db2.gz ZIRGLPXHWPLPNG-UHFFFAOYSA-N 1 0 367.449 2.427 20 30 FEEDRO C[NH+](C)CCCC1CCN(C(=O)C(=O)Nc2ccc(F)c(C#N)c2)CC1 ZINC000154582599 544924238 /nfs/dbraw/zinc/92/42/38/544924238.db2.gz FKXZKEMKXRVAQA-UHFFFAOYSA-N 1 0 360.433 2.216 20 30 FEEDRO COCC[N@H+](C)CCCNc1c(C#N)cnc2c(F)c(F)c(F)cc21 ZINC000553276852 674250110 /nfs/dbraw/zinc/25/01/10/674250110.db2.gz QFAVFQBXVYZJPC-UHFFFAOYSA-N 1 0 352.360 2.326 20 30 FEEDRO N#Cc1ccc(CN2CCC([NH2+]C[C@H]3COC4(CCOCC4)O3)CC2)cc1 ZINC000179995668 327667591 /nfs/dbraw/zinc/66/75/91/327667591.db2.gz DEMJDOXBEIWGCA-FQEVSTJZSA-N 1 0 371.481 2.034 20 30 FEEDRO COc1cc(C#N)ccc1S(=O)(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000185584683 327923468 /nfs/dbraw/zinc/92/34/68/327923468.db2.gz FLFJGOKUWBRWHK-MRXNPFEDSA-N 1 0 363.483 2.206 20 30 FEEDRO CC[N@H+](CCO)CCNC(=O)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000187401342 328022938 /nfs/dbraw/zinc/02/29/38/328022938.db2.gz IBOOOCGEANULMG-UHFFFAOYSA-N 1 0 366.465 2.339 20 30 FEEDRO C[C@@H](c1cccc(C#N)c1)[NH+]1CCC(CNC(=O)c2cnn(C)c2)CC1 ZINC000187668764 328038762 /nfs/dbraw/zinc/03/87/62/328038762.db2.gz DCRFFVQSGXYRIX-HNNXBMFYSA-N 1 0 351.454 2.495 20 30 FEEDRO CC[NH+](CC)[C@@H]1CCN(C(=O)C2CCN(c3oc(C)nc3C#N)CC2)C1 ZINC000189156932 328132123 /nfs/dbraw/zinc/13/21/23/328132123.db2.gz QNAQDXPUIXKOPO-MRXNPFEDSA-N 1 0 359.474 2.014 20 30 FEEDRO CCC[NH+]1CCC(N(C)C(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)CC1 ZINC000189260146 328137605 /nfs/dbraw/zinc/13/76/05/328137605.db2.gz SAIXOZFGPZESHW-UHFFFAOYSA-N 1 0 362.861 2.483 20 30 FEEDRO COCCO[C@@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000189676554 328161450 /nfs/dbraw/zinc/16/14/50/328161450.db2.gz VOFUAFOZXWCIPU-CYBMUJFWSA-N 1 0 363.483 2.174 20 30 FEEDRO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+](C)CC1(O)CCOCC1 ZINC000189753852 328166134 /nfs/dbraw/zinc/16/61/34/328166134.db2.gz YHIOXNMXADIMNM-LBPRGKRZSA-N 1 0 351.834 2.012 20 30 FEEDRO CCO[C@@H]1C[C@@](CO)([NH2+]CC(=O)Nc2ccc(C#N)c(Cl)c2)C1(C)C ZINC000189957950 328178850 /nfs/dbraw/zinc/17/88/50/328178850.db2.gz RNRFMXDAEQVPAQ-QAPCUYQASA-N 1 0 365.861 2.306 20 30 FEEDRO N#Cc1ccc(N2C(=O)C[C@@H](N3CCC([C@@H]4CCCO4)CC3)C2=O)cc1 ZINC000190079521 328186447 /nfs/dbraw/zinc/18/64/47/328186447.db2.gz VXIQRSVWOSVGAQ-MSOLQXFVSA-N 1 0 353.422 2.081 20 30 FEEDRO N#Cc1ccc(CN2CC[C@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000192242893 328308660 /nfs/dbraw/zinc/30/86/60/328308660.db2.gz QDLKPJIYUWAJDX-SFHVURJKSA-N 1 0 350.378 2.357 20 30 FEEDRO N#Cc1ccc(CN2CC[C@@H]([NH2+]Cc3ccc4c(c3)OCCO4)C2=O)cc1 ZINC000192242866 328308912 /nfs/dbraw/zinc/30/89/12/328308912.db2.gz JCCQORHNDBXFDI-GOSISDBHSA-N 1 0 363.417 2.220 20 30 FEEDRO C[C@@H]1C[N@@H+](CCC2CCN(C(=O)c3ccnc(C#N)c3)CC2)C[C@H](C)O1 ZINC000193458646 328376875 /nfs/dbraw/zinc/37/68/75/328376875.db2.gz IHUMSYFLAKASKP-IYBDPMFKSA-N 1 0 356.470 2.305 20 30 FEEDRO C[NH+](C)[C@H](CNC(=O)Cn1cc(C#N)c(=O)c2ccccc21)c1ccccc1 ZINC000193488255 328378226 /nfs/dbraw/zinc/37/82/26/328378226.db2.gz YFORYVYRWGAHOX-HXUWFJFHSA-N 1 0 374.444 2.292 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1ccc(F)cc1 ZINC000193572786 328382554 /nfs/dbraw/zinc/38/25/54/328382554.db2.gz WOWOTLCCUQLZFQ-UHFFFAOYSA-N 1 0 368.412 2.226 20 30 FEEDRO CCC[N@@H+]1CC[C@@H](CNC(=O)N2CCN(c3cccc(F)c3C#N)CC2)C1 ZINC000193785731 328395106 /nfs/dbraw/zinc/39/51/06/328395106.db2.gz ABCGJIRNHZSQCC-INIZCTEOSA-N 1 0 373.476 2.261 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)S(=O)(=O)c1cccc(C#N)c1 ZINC000047281170 324630826 /nfs/dbraw/zinc/63/08/26/324630826.db2.gz DLOVYHZBWXOGQC-UHFFFAOYSA-N 1 0 368.462 2.182 20 30 FEEDRO N#Cc1ccc(NC(=O)C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)cc1 ZINC000080286630 325127688 /nfs/dbraw/zinc/12/76/88/325127688.db2.gz XLENXRLVGMTJMP-UHFFFAOYSA-N 1 0 362.433 2.231 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2csc(-c3ccoc3)n2)c1C#N ZINC000089675545 325326769 /nfs/dbraw/zinc/32/67/69/325326769.db2.gz DRMYDZPZQNBLJT-UHFFFAOYSA-N 1 0 356.411 2.402 20 30 FEEDRO COc1cc(C#N)ccc1OCCCC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000107580379 325630599 /nfs/dbraw/zinc/63/05/99/325630599.db2.gz FNDOLKFLDWSNKP-UHFFFAOYSA-N 1 0 357.454 2.469 20 30 FEEDRO CCC[NH+]1CCC(N2CCN(C(=O)NCc3ccc(C#N)cc3)CC2)CC1 ZINC000113590189 325854865 /nfs/dbraw/zinc/85/48/65/325854865.db2.gz XZDSCMLHXHABQC-UHFFFAOYSA-N 1 0 369.513 2.260 20 30 FEEDRO C[NH+]1CCN(c2ncccc2CNC(=O)/C=C/c2ccc(C#N)cc2)CC1 ZINC000116000792 325988144 /nfs/dbraw/zinc/98/81/44/325988144.db2.gz HWEROQYVIWGDCQ-CMDGGOBGSA-N 1 0 361.449 2.035 20 30 FEEDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1cc(C#N)ccc1OC(C)C ZINC000118126792 326084148 /nfs/dbraw/zinc/08/41/48/326084148.db2.gz KESGVHGDAQKXFH-MRXNPFEDSA-N 1 0 372.469 2.275 20 30 FEEDRO CC[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 ZINC000118986610 326115754 /nfs/dbraw/zinc/11/57/54/326115754.db2.gz MCJCBJXLQYVQCT-HZPDHXFCSA-N 1 0 359.474 2.062 20 30 FEEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000120467132 326260990 /nfs/dbraw/zinc/26/09/90/326260990.db2.gz CJNVIBSBVHAUNR-ZBFHGGJFSA-N 1 0 372.469 2.225 20 30 FEEDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)Nc2cc(C#N)ccc2Cl)C1 ZINC000122159457 326386272 /nfs/dbraw/zinc/38/62/72/326386272.db2.gz UOPQFWWFFUFWAW-CJNGLKHVSA-N 1 0 360.845 2.093 20 30 FEEDRO N#Cc1cc(F)c(C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)c(F)c1 ZINC000122291619 326391107 /nfs/dbraw/zinc/39/11/07/326391107.db2.gz KRJLAORFVXFRJH-IRXDYDNUSA-N 1 0 363.408 2.334 20 30 FEEDRO COC(=O)[C@H](c1cccc(C#N)c1)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000124407064 326453189 /nfs/dbraw/zinc/45/31/89/326453189.db2.gz TVMVKSHCJUKZTJ-SFHVURJKSA-N 1 0 359.470 2.063 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H]2CCCC[C@@H]2n2cccn2)cc1 ZINC000127736041 326511676 /nfs/dbraw/zinc/51/16/76/326511676.db2.gz ICVQUAIKXCOQDG-MSOLQXFVSA-N 1 0 358.467 2.302 20 30 FEEDRO CCOc1ccc(C(=O)Nc2n[nH]c(CCC[NH2+]C)c2C#N)cc1OC ZINC000128137248 326518638 /nfs/dbraw/zinc/51/86/38/326518638.db2.gz FZAALSZOTQPFJM-UHFFFAOYSA-N 1 0 357.414 2.093 20 30 FEEDRO COc1cc(C#N)ccc1OCC[NH+]1CCC(OC[C@@H]2CCOC2)CC1 ZINC000131925959 326584392 /nfs/dbraw/zinc/58/43/92/326584392.db2.gz UCXIKNKFTBLOPU-QGZVFWFLSA-N 1 0 360.454 2.463 20 30 FEEDRO N#Cc1c(Cl)cccc1S(=O)(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000156571923 326836105 /nfs/dbraw/zinc/83/61/05/326836105.db2.gz KYOFCCQJRRQBDX-UHFFFAOYSA-N 1 0 353.875 2.461 20 30 FEEDRO N#Cc1ccc(N2CCC[C@H]([NH2+]Cc3cnc4cnccn34)C2)c(F)c1 ZINC000156804658 326844562 /nfs/dbraw/zinc/84/45/62/326844562.db2.gz VEROVRUUSHIORG-HNNXBMFYSA-N 1 0 350.401 2.499 20 30 FEEDRO N#Cc1ccc(CCC(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)cc1 ZINC000160193085 326956632 /nfs/dbraw/zinc/95/66/32/326956632.db2.gz YXEZDWBBYNZDEB-VQTJNVASSA-N 1 0 355.482 2.375 20 30 FEEDRO CC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000162123833 327017440 /nfs/dbraw/zinc/01/74/40/327017440.db2.gz SCBKOXRCKUBSIA-GFCCVEGCSA-N 1 0 361.389 2.340 20 30 FEEDRO COc1ccc(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)c(O)c1 ZINC000171945053 327171910 /nfs/dbraw/zinc/17/19/10/327171910.db2.gz ZLUJNSCBEUGMEH-UHFFFAOYSA-N 1 0 353.422 2.476 20 30 FEEDRO N#Cc1ccc(F)c(CNC(=O)N2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000173281778 327246430 /nfs/dbraw/zinc/24/64/30/327246430.db2.gz FAHLEQWPFXHLPP-UHFFFAOYSA-N 1 0 374.460 2.484 20 30 FEEDRO CN1CC[NH+]([C@@H]2CCCCN(Cc3cn4ccccc4c3C#N)C2)CC1 ZINC000174885017 327358051 /nfs/dbraw/zinc/35/80/51/327358051.db2.gz LPZUZTNQKGXDIM-LJQANCHMSA-N 1 0 351.498 2.413 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)CCOC1CCOCC1 ZINC000177137293 327500525 /nfs/dbraw/zinc/50/05/25/327500525.db2.gz FJNBDUKRZZNMEM-UHFFFAOYSA-N 1 0 359.470 2.034 20 30 FEEDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)CCc1c(C)nc2c(C#N)cnn2c1C ZINC000264729166 329053957 /nfs/dbraw/zinc/05/39/57/329053957.db2.gz QBJYUTYNLADFFU-KRWDZBQOSA-N 1 0 368.485 2.141 20 30 FEEDRO C[NH+](C)CC[C@@H](NC(=O)N1CCN(c2cc(C#N)ccn2)CC1)C(C)(C)C ZINC000265229330 329104722 /nfs/dbraw/zinc/10/47/22/329104722.db2.gz DBPTVXGZFATODL-QGZVFWFLSA-N 1 0 372.517 2.151 20 30 FEEDRO CC(C)[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000266523143 329232740 /nfs/dbraw/zinc/23/27/40/329232740.db2.gz CUXWWPUZTPRWKB-UHFFFAOYSA-N 1 0 370.375 2.362 20 30 FEEDRO C[NH+](C)CCOc1ccccc1N1CCN(Cc2ccc(C#N)o2)CC1 ZINC000271169514 329668841 /nfs/dbraw/zinc/66/88/41/329668841.db2.gz IHVFLHZNRCFROO-UHFFFAOYSA-N 1 0 354.454 2.414 20 30 FEEDRO CO[C@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000275171846 330018025 /nfs/dbraw/zinc/01/80/25/330018025.db2.gz BDFJXNXYZBPBCM-IRXDYDNUSA-N 1 0 353.426 2.230 20 30 FEEDRO C[NH+](C)CCc1ccccc1NC(=O)CNC(=O)c1ccc(C#N)cc1 ZINC000275930298 330104512 /nfs/dbraw/zinc/10/45/12/330104512.db2.gz XYURQBPINIOKEI-UHFFFAOYSA-N 1 0 350.422 2.031 20 30 FEEDRO Cc1ccc(C#N)cc1NC(=O)C(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000276446182 330152675 /nfs/dbraw/zinc/15/26/75/330152675.db2.gz PBFSOXUZCATUDP-UHFFFAOYSA-N 1 0 364.449 2.226 20 30 FEEDRO Cc1nc(C#N)c(N2CCC(C(=O)NC[C@@H]3CCC[N@@H+](C(C)C)C3)CC2)o1 ZINC000276455363 330153705 /nfs/dbraw/zinc/15/37/05/330153705.db2.gz NXVFKEXUIVLJGS-INIZCTEOSA-N 1 0 373.501 2.308 20 30 FEEDRO Cc1ccc(CN2CC[C@H]([NH2+]Cc3cnc4ccc(C#N)cn34)C2=O)cc1 ZINC000367041386 330210463 /nfs/dbraw/zinc/21/04/63/330210463.db2.gz VQNIOOMKSAYAPK-IBGZPJMESA-N 1 0 359.433 2.405 20 30 FEEDRO N#Cc1ccc(OC[C@H](O)C[NH2+][C@@]2(CO)CCCc3ccccc32)cc1 ZINC000367110192 330217836 /nfs/dbraw/zinc/21/78/36/330217836.db2.gz WOUCEJNXAIXUTH-WIYYLYMNSA-N 1 0 352.434 2.112 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000367178639 330226444 /nfs/dbraw/zinc/22/64/44/330226444.db2.gz ACBWPDVNULCJJA-OAHLLOKOSA-N 1 0 361.492 2.420 20 30 FEEDRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000416706001 330262463 /nfs/dbraw/zinc/26/24/63/330262463.db2.gz MHGULFMDNDYAGV-OXQOHEQNSA-N 1 0 369.513 2.261 20 30 FEEDRO Cc1ccc(S(=O)(=O)N2CCC([NH2+]C[C@H](C#N)CCC#N)CC2)cc1 ZINC000554452460 674317878 /nfs/dbraw/zinc/31/78/78/674317878.db2.gz UIEXQKNMWWZGDJ-INIZCTEOSA-N 1 0 360.483 2.181 20 30 FEEDRO CN(C)[C@H](C[NH2+]CCS(=O)(=O)c1cccc(C#N)c1)c1ccccc1 ZINC000554797891 674336970 /nfs/dbraw/zinc/33/69/70/674336970.db2.gz HOBJWCCRBVKHRL-LJQANCHMSA-N 1 0 357.479 2.224 20 30 FEEDRO N#Cc1cncc(S(=O)(=O)N(CC[NH+]2CCCCCC2)C2CCC2)c1 ZINC000554970891 674343746 /nfs/dbraw/zinc/34/37/46/674343746.db2.gz SWZULVFBZNZUEO-UHFFFAOYSA-N 1 0 362.499 2.372 20 30 FEEDRO C[N@@H+]1CCC[C@]2(CCN(S(=O)(=O)c3ccc(Cl)c(C#N)c3)C2)C1 ZINC000555405113 674359435 /nfs/dbraw/zinc/35/94/35/674359435.db2.gz FUWAGWYLKSVHTR-INIZCTEOSA-N 1 0 353.875 2.318 20 30 FEEDRO Cc1cccc(NC(=O)C(=O)NC[C@H]2CCC[N@@H+](CC(C)C)C2)c1C#N ZINC000155500982 545534259 /nfs/dbraw/zinc/53/42/59/545534259.db2.gz FXYDCDOOKWYRML-MRXNPFEDSA-N 1 0 356.470 2.289 20 30 FEEDRO C[C@H](NC(=O)c1ccc(COc2ccccc2C#N)o1)[C@H]1CN(C)CCO1 ZINC000157513348 545750295 /nfs/dbraw/zinc/75/02/95/545750295.db2.gz QBQXFPIDMNOZBM-IFXJQAMLSA-N 1 0 369.421 2.179 20 30 FEEDRO C[C@@H]1CCCC[N@@H+]1CCCNS(=O)(=O)Cc1ccc(C#N)cc1F ZINC000478167240 561161250 /nfs/dbraw/zinc/16/12/50/561161250.db2.gz IILSRXITYVEFSX-CQSZACIVSA-N 1 0 353.463 2.381 20 30 FEEDRO CC1CC[NH+](C[C@H](O)CNCc2cn(C)nc2-c2ccc(C#N)cc2)CC1 ZINC000478221931 561162453 /nfs/dbraw/zinc/16/24/53/561162453.db2.gz CDRQDCXGPMQAKT-HXUWFJFHSA-N 1 0 367.497 2.141 20 30 FEEDRO C[NH+]=C(NCC(=O)Nc1cccc(F)c1)N1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000160117514 546009414 /nfs/dbraw/zinc/00/94/14/546009414.db2.gz MJHCIKXUTBXNIU-RHSMWYFYSA-N 1 0 372.448 2.119 20 30 FEEDRO N#CCc1ccc(OC[C@@H](O)C[NH+]2CCC([C@H](O)C(F)(F)F)CC2)cc1 ZINC000161598602 546131598 /nfs/dbraw/zinc/13/15/98/546131598.db2.gz ISMPWFKFDHJNAA-RDJZCZTQSA-N 1 0 372.387 2.128 20 30 FEEDRO C[C@H]([NH2+]C1CCN(c2ccc(C#N)cn2)CC1)c1cccc(-n2cnnn2)c1 ZINC000161639709 546132423 /nfs/dbraw/zinc/13/24/23/546132423.db2.gz MYWHKAHRDAVPQF-HNNXBMFYSA-N 1 0 374.452 2.249 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC[C@@H](C2OCCO2)C1)C(C)C ZINC000171628342 546215949 /nfs/dbraw/zinc/21/59/49/546215949.db2.gz VNWNXUNJEVEZIF-QZTJIDSGSA-N 1 0 365.518 2.480 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)NCc2ccc(OCC(F)(F)F)nc2)CC1 ZINC000171709921 546219407 /nfs/dbraw/zinc/21/94/07/546219407.db2.gz NCEADROAUQJDNU-UHFFFAOYSA-N 1 0 372.391 2.472 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)c2ccc(N3CCN(CC)CC3)c(F)c2)CC1 ZINC000171714606 546220124 /nfs/dbraw/zinc/22/01/24/546220124.db2.gz LCCXFHMRWGWVDI-UHFFFAOYSA-N 1 0 374.504 2.348 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)CCc2ccc(OC)c(OC)c2OC)CC1 ZINC000171715666 546220491 /nfs/dbraw/zinc/22/04/91/546220491.db2.gz UBAWHYCZLHIRRB-UHFFFAOYSA-N 1 0 362.470 2.412 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N2CCC(C(=O)NCCCCC)CC2)CC1 ZINC000171741597 546223430 /nfs/dbraw/zinc/22/34/30/546223430.db2.gz OCYNRNFTXPGSJU-UHFFFAOYSA-N 1 0 364.534 2.365 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H]2CCCN(c3ccccc3)C2=O)CC1 ZINC000172075713 546236091 /nfs/dbraw/zinc/23/60/91/546236091.db2.gz JCQGYJRWQXFQOI-GOSISDBHSA-N 1 0 356.470 2.132 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cc(OC)ccc2Cl)CC1 ZINC000173275728 546276963 /nfs/dbraw/zinc/27/69/63/546276963.db2.gz PWGUNZCTKUJPAU-UHFFFAOYSA-N 1 0 351.834 2.054 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(-c3cnc(C)o3)cc2)CC1 ZINC000173273433 546277058 /nfs/dbraw/zinc/27/70/58/546277058.db2.gz SVSNZHBBFYJGBF-UHFFFAOYSA-N 1 0 368.437 2.355 20 30 FEEDRO C#CCCOc1ccc(C[NH2+][C@@H]2CCN(c3cc(C)nn3C)C2=O)cc1 ZINC000174620331 546299799 /nfs/dbraw/zinc/29/97/99/546299799.db2.gz PMEFDVCYAYIXDU-GOSISDBHSA-N 1 0 352.438 2.026 20 30 FEEDRO C[NH+]1CCC(NC(=O)C(=O)Nc2ccccc2C#Cc2ccccc2)CC1 ZINC000175807606 546354078 /nfs/dbraw/zinc/35/40/78/546354078.db2.gz BONJIKDMFDMZBD-UHFFFAOYSA-N 1 0 361.445 2.235 20 30 FEEDRO Cn1cc(CNc2ccccc2C[N@@H+]2CCC[C@H](C(N)=O)C2)cc1C#N ZINC000480295222 561206514 /nfs/dbraw/zinc/20/65/14/561206514.db2.gz QXVBYTTZRZCYAR-KRWDZBQOSA-N 1 0 351.454 2.206 20 30 FEEDRO CCNC(=O)COc1ccc(C[NH2+]Cc2ccc(C#N)s2)cc1OC ZINC000176948831 546513481 /nfs/dbraw/zinc/51/34/81/546513481.db2.gz IKCBJZIWOQSMBN-UHFFFAOYSA-N 1 0 359.451 2.433 20 30 FEEDRO C[C@H](NC(=O)c1cc(C#N)cn1C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000177076997 546540340 /nfs/dbraw/zinc/54/03/40/546540340.db2.gz RYCWMNCZERMYGU-AWEZNQCLSA-N 1 0 369.444 2.279 20 30 FEEDRO C=CCC[C@@H](O)C[NH+]1CCN(Cc2nc(-c3ccc(C)cc3)no2)CC1 ZINC000178042763 546728702 /nfs/dbraw/zinc/72/87/02/546728702.db2.gz OGBVAEQQQXBOPO-GOSISDBHSA-N 1 0 356.470 2.490 20 30 FEEDRO C=CCOc1cccc(CN2CCN(CC(=O)N3CCCCC3)CC2)c1 ZINC000178130119 546744203 /nfs/dbraw/zinc/74/42/03/546744203.db2.gz DTKGRFYUCBIKNC-UHFFFAOYSA-N 1 0 357.498 2.382 20 30 FEEDRO Cc1cc(C#N)cc(C)c1OCC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000178185655 546754171 /nfs/dbraw/zinc/75/41/71/546754171.db2.gz ZRNUNFWUXUZNAP-GOSISDBHSA-N 1 0 359.470 2.027 20 30 FEEDRO C=CCOc1ccc(OCC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)cc1 ZINC000178187342 546755665 /nfs/dbraw/zinc/75/56/65/546755665.db2.gz IVOMNKLKIOPZHF-IBGZPJMESA-N 1 0 362.470 2.103 20 30 FEEDRO COC(=O)c1ccccc1CC[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000481183017 561227413 /nfs/dbraw/zinc/22/74/13/561227413.db2.gz YWZNVIVWOGTVGV-UHFFFAOYSA-N 1 0 350.422 2.105 20 30 FEEDRO Cc1csc(CNC(NCC(=O)N(C)C)=[NH+][C@@H]2CCCC[C@H]2C)n1 ZINC000178208174 546757443 /nfs/dbraw/zinc/75/74/43/546757443.db2.gz FZDQNKRIODWKIC-TZMCWYRMSA-N 1 0 351.520 2.154 20 30 FEEDRO C[NH+](C)C1CCN(CCNC(=O)N(Cc2ccc(C#N)cc2)C2CC2)CC1 ZINC000179310583 546929010 /nfs/dbraw/zinc/92/90/10/546929010.db2.gz DJMCRSFXRAOMQS-UHFFFAOYSA-N 1 0 369.513 2.258 20 30 FEEDRO N#Cc1ccc(CC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2CO)cc1 ZINC000179430679 546952745 /nfs/dbraw/zinc/95/27/45/546952745.db2.gz ANQPKXGONPBXGC-NHCUHLMSSA-N 1 0 363.461 2.100 20 30 FEEDRO COc1ccc(C#N)cc1NC(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000482872275 561261997 /nfs/dbraw/zinc/26/19/97/561261997.db2.gz VKBDCEDYQMJGSE-YJBOKZPZSA-N 1 0 371.485 2.057 20 30 FEEDRO N#Cc1ccc(CN2CC[C@@H](C[NH+]3CCOCC3)C2)c(Br)c1 ZINC000181120467 547254003 /nfs/dbraw/zinc/25/40/03/547254003.db2.gz ZNYJNOKXNXGQRU-HNNXBMFYSA-N 1 0 364.287 2.475 20 30 FEEDRO COc1ccc(CNC(=O)C2CC[NH+](Cc3cc(C#N)n(C)c3)CC2)cc1 ZINC000483279401 561272617 /nfs/dbraw/zinc/27/26/17/561272617.db2.gz RELSOWMINIMSGS-UHFFFAOYSA-N 1 0 366.465 2.434 20 30 FEEDRO C[C@H]([C@H](C)[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)N1CCOCC1 ZINC000181710284 547364612 /nfs/dbraw/zinc/36/46/12/547364612.db2.gz LRFMQRLUYCKEEH-ZWKOTPCHSA-N 1 0 356.514 2.221 20 30 FEEDRO Cc1ccc(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)c(O)c1O ZINC000182247990 547460558 /nfs/dbraw/zinc/46/05/58/547460558.db2.gz XDQUFPRMXFCOEF-UHFFFAOYSA-N 1 0 353.422 2.482 20 30 FEEDRO C[NH+](C)C[C@](C)(O)CNC(=O)c1ccccc1Oc1ccccc1C#N ZINC000182372778 547481415 /nfs/dbraw/zinc/48/14/15/547481415.db2.gz TVZKXAUHVIGVIV-HXUWFJFHSA-N 1 0 353.422 2.393 20 30 FEEDRO Cc1cc(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c(=O)n(C)c1 ZINC000483970498 561288322 /nfs/dbraw/zinc/28/83/22/561288322.db2.gz CHASMPAFDOMEGA-UHFFFAOYSA-N 1 0 367.453 2.161 20 30 FEEDRO C=C(C)CN(C)C(=O)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000182780512 547551130 /nfs/dbraw/zinc/55/11/30/547551130.db2.gz BFWWVHOGEXWHKI-GOSISDBHSA-N 1 0 358.486 2.101 20 30 FEEDRO CN(CCC#N)C(=O)CC[N@@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000182807154 547555029 /nfs/dbraw/zinc/55/50/29/547555029.db2.gz OTDZIQNKWSOIIJ-CYBMUJFWSA-N 1 0 357.380 2.301 20 30 FEEDRO CC[C@H]([NH2+]CCOc1ccc(C#N)cc1)c1cccc(S(N)(=O)=O)c1 ZINC000183023575 547588694 /nfs/dbraw/zinc/58/86/94/547588694.db2.gz IKEFBWDTLJJYCR-SFHVURJKSA-N 1 0 359.451 2.325 20 30 FEEDRO N#CC1(c2ccc(C(=O)N3CCN(CC[NH+]4CCCC4)CC3)cc2)CC1 ZINC000183501966 547672820 /nfs/dbraw/zinc/67/28/20/547672820.db2.gz YAVYBEJKVODSBH-UHFFFAOYSA-N 1 0 352.482 2.095 20 30 FEEDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)Nc2cnn(-c3ncccc3C#N)c2)C1 ZINC000184609274 547853412 /nfs/dbraw/zinc/85/34/12/547853412.db2.gz PWLRGLIHKUOEDC-OAHLLOKOSA-N 1 0 367.457 2.238 20 30 FEEDRO COCCOc1ccc(C#N)cc1NC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000184615917 547854588 /nfs/dbraw/zinc/85/45/88/547854588.db2.gz VLIYYJZSPWJIIN-MRXNPFEDSA-N 1 0 356.426 2.061 20 30 FEEDRO Cc1nc(C)c(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)nc1C ZINC000184856849 547888382 /nfs/dbraw/zinc/88/83/82/547888382.db2.gz NQFJDRPFKJWIAO-UHFFFAOYSA-N 1 0 351.454 2.478 20 30 FEEDRO CN(CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)Cc1cccc(C#N)c1 ZINC000184934489 547903214 /nfs/dbraw/zinc/90/32/14/547903214.db2.gz YTMYCAZRSQGRNG-FQEVSTJZSA-N 1 0 350.466 2.409 20 30 FEEDRO C=CC[C@H](CO)NC(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCCC1 ZINC000185226196 547955379 /nfs/dbraw/zinc/95/53/79/547955379.db2.gz HFKRGNBHUAHQIH-MJGOQNOKSA-N 1 0 361.486 2.458 20 30 FEEDRO C=CCOc1ccccc1CNC(=O)N[C@H](C)CC[NH+]1CCN(C)CC1 ZINC000185700756 548022388 /nfs/dbraw/zinc/02/23/88/548022388.db2.gz PXIXWVBPNHPYCJ-QGZVFWFLSA-N 1 0 360.502 2.077 20 30 FEEDRO C=C(C)CN(CC)C(=O)C(=O)Nc1cccc(N2CC[NH+](CC)CC2)c1 ZINC000187440000 548257046 /nfs/dbraw/zinc/25/70/46/548257046.db2.gz OPIIGAALQIJPGF-UHFFFAOYSA-N 1 0 358.486 2.192 20 30 FEEDRO C[NH+]1CCN(c2ccc(NC(=O)C3(c4ccc(C#N)cc4)CC3)cn2)CC1 ZINC000187507374 548258084 /nfs/dbraw/zinc/25/80/84/548258084.db2.gz ZXPMGCRUEMFZLW-UHFFFAOYSA-N 1 0 361.449 2.375 20 30 FEEDRO C[NH+](C)[C@H](CNC(=O)N1CCO[C@@H](C#N)C1)c1cccc(C(F)(F)F)c1 ZINC000187468270 548258919 /nfs/dbraw/zinc/25/89/19/548258919.db2.gz QYZNUZCFMQBMMP-LSDHHAIUSA-N 1 0 370.375 2.242 20 30 FEEDRO C#CCOc1ccccc1NC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000188095969 548271874 /nfs/dbraw/zinc/27/18/74/548271874.db2.gz ZESDSLZFYJYDNN-QGZVFWFLSA-N 1 0 357.454 2.275 20 30 FEEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2n[nH]c3c2C[NH2+]CC3)cc1 ZINC000188405524 548278810 /nfs/dbraw/zinc/27/88/10/548278810.db2.gz ZWXJHSNNXZORIW-UHFFFAOYSA-N 1 0 365.437 2.122 20 30 FEEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000192066479 548357396 /nfs/dbraw/zinc/35/73/96/548357396.db2.gz SWXZTGPKMGYMDO-TUKIKUTGSA-N 1 0 351.834 2.160 20 30 FEEDRO C[C@@H](O)C[N@@H+]1CCN(CC#Cc2ccc(OC(F)(F)F)cc2)[C@@H](C)C1 ZINC000192829782 548373646 /nfs/dbraw/zinc/37/36/46/548373646.db2.gz GUDHYZXJZMXRBQ-LSDHHAIUSA-N 1 0 356.388 2.324 20 30 FEEDRO N#Cc1ccc(C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000486823130 561357558 /nfs/dbraw/zinc/35/75/58/561357558.db2.gz KYGRHRSOPODJBM-UHFFFAOYSA-N 1 0 354.479 2.167 20 30 FEEDRO N#Cc1ccc(N2CCC[C@H]([N@@H+]3CCC[C@@H](Cn4ccnn4)C3)C2=O)cc1 ZINC000245536577 548940841 /nfs/dbraw/zinc/94/08/41/548940841.db2.gz XIRKPYFFIJUZCK-MJGOQNOKSA-N 1 0 364.453 2.057 20 30 FEEDRO N#Cc1ccsc1NC(=O)CC[N@@H+]1CC[C@@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000245731897 548983370 /nfs/dbraw/zinc/98/33/70/548983370.db2.gz CKXUCVHNHMWWOU-GOEBONIOSA-N 1 0 372.494 2.424 20 30 FEEDRO N#C[C@H](c1cccs1)N1CCN(C(=O)C[NH+]2C[C@@H]3CCC[C@H]3C2)CC1 ZINC000245907481 549015594 /nfs/dbraw/zinc/01/55/94/549015594.db2.gz UHVUIRRNVBRNGH-YESZJQIVSA-N 1 0 358.511 2.189 20 30 FEEDRO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000246198752 549075757 /nfs/dbraw/zinc/07/57/57/549075757.db2.gz PBRHPLSUSVVISJ-GJZGRUSLSA-N 1 0 353.875 2.459 20 30 FEEDRO C[C@H](C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000246703908 549192685 /nfs/dbraw/zinc/19/26/85/549192685.db2.gz KGLXURQAETYACP-AJYBTWMASA-N 1 0 354.498 2.484 20 30 FEEDRO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000246741138 549201491 /nfs/dbraw/zinc/20/14/91/549201491.db2.gz QQCMHMLALBQTOD-CABCVRRESA-N 1 0 374.510 2.477 20 30 FEEDRO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H](Oc3ncccc3F)C2)cc1 ZINC000489025182 561401885 /nfs/dbraw/zinc/40/18/85/561401885.db2.gz GRHZMIMGCAIHBX-SJLPKXTDSA-N 1 0 371.412 2.375 20 30 FEEDRO Cc1ncc(S(=O)(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)cc1C#N ZINC000489120688 561403969 /nfs/dbraw/zinc/40/39/69/561403969.db2.gz DWTFCJNPUMBKKR-LJQANCHMSA-N 1 0 370.478 2.377 20 30 FEEDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2S(=O)(=O)c2ccc(Cl)c(C#N)c2)C1 ZINC000247669583 549370961 /nfs/dbraw/zinc/37/09/61/549370961.db2.gz ZESOLDWJIXJDBT-LRDDRELGSA-N 1 0 353.875 2.316 20 30 FEEDRO C=C[C@@H]1CCCC[N@@H+]1CC(=O)N1CCN(Cc2ccc3c(c2)CCO3)CC1 ZINC000489444253 561411427 /nfs/dbraw/zinc/41/14/27/561411427.db2.gz WDXSDQIYUXLVNA-HXUWFJFHSA-N 1 0 369.509 2.306 20 30 FEEDRO C=CCCCS(=O)(=O)N1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000489583065 561414800 /nfs/dbraw/zinc/41/48/00/561414800.db2.gz WTGJPRRQMKQGRJ-IRXDYDNUSA-N 1 0 358.548 2.494 20 30 FEEDRO CC[NH+](CC)CC1CCN(S(=O)(=O)c2ccc(C#N)c(F)c2)CC1 ZINC000489599152 561415159 /nfs/dbraw/zinc/41/51/59/561415159.db2.gz MZGXFFDWLLOHDU-UHFFFAOYSA-N 1 0 353.463 2.440 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1C[C@H]2OCCC[C@@H]12 ZINC000249226017 549570322 /nfs/dbraw/zinc/57/03/22/549570322.db2.gz UWRAFTXDIKWLAZ-IPMKNSEASA-N 1 0 356.470 2.199 20 30 FEEDRO C[C@@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)[C@@H](C(N)=O)C1 ZINC000249527857 549600886 /nfs/dbraw/zinc/60/08/86/549600886.db2.gz AILITEJTJFVCRL-BXUZGUMPSA-N 1 0 360.483 2.023 20 30 FEEDRO COC(=O)[C@@H](C)C[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)Cc1ccccc1 ZINC000249725621 549619462 /nfs/dbraw/zinc/61/94/62/549619462.db2.gz MGJAZJHAHMEHFL-OXJNMPFZSA-N 1 0 359.470 2.352 20 30 FEEDRO COC[C@@H]1C[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@@H](C)O1 ZINC000251920308 549657417 /nfs/dbraw/zinc/65/74/17/549657417.db2.gz SICLGDUTRWGKBA-DOMZBBRYSA-N 1 0 351.834 2.276 20 30 FEEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)[C@@H](C)C1 ZINC000253544300 549692464 /nfs/dbraw/zinc/69/24/64/549692464.db2.gz NHHWBZREDYLGBA-SCLBCKFNSA-N 1 0 358.486 2.397 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)cc1C(F)(F)F ZINC000490005102 561424291 /nfs/dbraw/zinc/42/42/91/561424291.db2.gz OPUXRENREZQXMF-HNNXBMFYSA-N 1 0 373.400 2.341 20 30 FEEDRO CNC(=[NH2+])N1CCC(Oc2ccccc2I)CC1 ZINC000261720189 549746717 /nfs/dbraw/zinc/74/67/17/549746717.db2.gz KQXZSJJMHMQUPL-UHFFFAOYSA-N 1 0 359.211 2.079 20 30 FEEDRO COc1ccc(NC(=[NH2+])NCC(=O)N[C@@H]2CCOc3ccccc32)cc1 ZINC000261860718 549763090 /nfs/dbraw/zinc/76/30/90/549763090.db2.gz RCWZSMQIPLOJGA-MRXNPFEDSA-N 1 0 354.410 2.062 20 30 FEEDRO C[NH+]=C(NCc1cn2ccc(C)cc2n1)N1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000261952163 549773934 /nfs/dbraw/zinc/77/39/34/549773934.db2.gz HTGHSNLTPXZFHQ-WMZOPIPTSA-N 1 0 365.485 2.498 20 30 FEEDRO CC[NH+]=C(NC[C@H]1C[N@H+](C)CCN1C)N[C@H]1CC(C)(C)Oc2ccccc21 ZINC000261965020 549774326 /nfs/dbraw/zinc/77/43/26/549774326.db2.gz LETLMJQWLWXMMB-WMZOPIPTSA-N 1 0 373.545 2.090 20 30 FEEDRO C[C@H](NC(=[NH2+])NCC1(C(N)=O)CCOCC1)c1ccc(Cl)cc1Cl ZINC000261986292 549777180 /nfs/dbraw/zinc/77/71/80/549777180.db2.gz KBTBHRKMCCIZHH-JTQLQIEISA-N 1 0 373.284 2.241 20 30 FEEDRO CC[NH+]=C(NC[C@H]1CCS(=O)(=O)C1)N(C)Cc1ccc(Cl)s1 ZINC000262194459 549797137 /nfs/dbraw/zinc/79/71/37/549797137.db2.gz HHWBNUUPXRPMTM-LLVKDONJSA-N 1 0 363.936 2.234 20 30 FEEDRO C[NH+]=C(NCCS(C)(=O)=O)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000262220999 549799983 /nfs/dbraw/zinc/79/99/83/549799983.db2.gz LKAAXSSVKCTQHT-VIFPVBQESA-N 1 0 352.287 2.264 20 30 FEEDRO C[C@H](NC(NC[C@@H]1CCS(=O)(=O)C1)=[NH+][C@@H]1C[C@@H]1C)c1cccs1 ZINC000262443578 549820669 /nfs/dbraw/zinc/82/06/69/549820669.db2.gz UZYRUIUEFVDFRP-XDQVBPFNSA-N 1 0 355.529 2.187 20 30 FEEDRO C[NH+]=C(NCc1nc(-c2ccccc2)c[nH]1)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000262459977 549821528 /nfs/dbraw/zinc/82/15/28/549821528.db2.gz MEFKQCLHAWNZLO-MRXNPFEDSA-N 1 0 363.469 2.375 20 30 FEEDRO C[C@@H]1CCCC[C@H]1[NH+]=C(NCc1ccoc1)NC[C@H]1CCS(=O)(=O)C1 ZINC000262462104 549821753 /nfs/dbraw/zinc/82/17/53/549821753.db2.gz XTZSAIDLYATEFW-DJIMGWMZSA-N 1 0 367.515 2.328 20 30 FEEDRO CC(=O)N1CCN(C(NCc2ccc([N+](=O)[O-])cc2)=[NH+]C2CCCC2)CC1 ZINC000262582118 549830240 /nfs/dbraw/zinc/83/02/40/549830240.db2.gz QZOCNUNPTBQKHK-UHFFFAOYSA-N 1 0 373.457 2.147 20 30 FEEDRO CCc1cnc(CNC(N[C@@H]2CCC[C@H](C(=O)N(C)C)C2)=[NH+]C)s1 ZINC000262775351 549848527 /nfs/dbraw/zinc/84/85/27/549848527.db2.gz JVOXBVGKFGZLGL-QWHCGFSZSA-N 1 0 351.520 2.018 20 30 FEEDRO C[NH+]=C(NCc1nnc2c(Cl)cc(C(F)(F)F)cn12)N[C@@H]1C[C@H]1C ZINC000262813547 549852230 /nfs/dbraw/zinc/85/22/30/549852230.db2.gz OLWRXJJUIJNGOV-GMSGAONNSA-N 1 0 360.771 2.475 20 30 FEEDRO C[NH+]=C(NCC(=O)N1CCc2ccccc2C1)N1CCc2ccccc2C1 ZINC000263229777 549887301 /nfs/dbraw/zinc/88/73/01/549887301.db2.gz HRVOOQWSIZWYMN-UHFFFAOYSA-N 1 0 362.477 2.205 20 30 FEEDRO CC(C)(C)OC(=O)NC[C@@H]1CC[N@H+](CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000263721576 549925528 /nfs/dbraw/zinc/92/55/28/549925528.db2.gz OORGTACNVVKLPR-KRWDZBQOSA-N 1 0 372.469 2.021 20 30 FEEDRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)Cc2noc(C)c2C#N)c1 ZINC000490751841 561437992 /nfs/dbraw/zinc/43/79/92/561437992.db2.gz PUCGCKBTABKYRP-UHFFFAOYSA-N 1 0 369.425 2.316 20 30 FEEDRO CCCNC(=O)c1cccc(CNC(=[NH2+])NCCc2ccc(OC)cc2)c1 ZINC000264065577 549974735 /nfs/dbraw/zinc/97/47/35/549974735.db2.gz BAFFLABRSBVHIE-UHFFFAOYSA-N 1 0 368.481 2.482 20 30 FEEDRO CCOC(=O)N1CCC(NC(=[NH2+])NCCc2cc(F)cc(F)c2)CC1 ZINC000264127064 549981847 /nfs/dbraw/zinc/98/18/47/549981847.db2.gz WQQVKEJUJYUNCJ-UHFFFAOYSA-N 1 0 354.401 2.033 20 30 FEEDRO COc1ccc(CNC(=[NH2+])NCc2ccc(OCC#N)cc2)cc1OC ZINC000264273924 549993769 /nfs/dbraw/zinc/99/37/69/549993769.db2.gz MJFIDDOLYNIZKK-UHFFFAOYSA-N 1 0 354.410 2.211 20 30 FEEDRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)NCC#Cc2ccccc2)CC1 ZINC000264285116 549993902 /nfs/dbraw/zinc/99/39/02/549993902.db2.gz SONQRFVNTWDLKQ-BGYRXZFFSA-N 1 0 368.525 2.238 20 30 FEEDRO CCOC(=O)N1CCC(NC(=[NH2+])NCCCCc2nc(C)cs2)CC1 ZINC000264273926 549993959 /nfs/dbraw/zinc/99/39/59/549993959.db2.gz MJJURSMHUQYJHT-UHFFFAOYSA-N 1 0 367.519 2.299 20 30 FEEDRO COc1ccc(NC(=[NH2+])NCCOc2cccc(NC(C)=O)c2)cc1OC ZINC000264289188 549993980 /nfs/dbraw/zinc/99/39/80/549993980.db2.gz PIKGSMNZTGHOLA-UHFFFAOYSA-N 1 0 372.425 2.468 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N2CCN(CCc3cccs3)CC2)CC1 ZINC000264383980 549995200 /nfs/dbraw/zinc/99/52/00/549995200.db2.gz VIPZVKDDKNLGKB-UHFFFAOYSA-N 1 0 362.543 2.268 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2ccc(-n3ccnc3C)nc2)CC1 ZINC000264418423 549995993 /nfs/dbraw/zinc/99/59/93/549995993.db2.gz VZFHPEPIXQWDMM-UHFFFAOYSA-N 1 0 368.485 2.415 20 30 FEEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000264807015 550001617 /nfs/dbraw/zinc/00/16/17/550001617.db2.gz ZEQFUQKRMQEQCU-KGLIPLIRSA-N 1 0 362.499 2.333 20 30 FEEDRO CC(C)c1nc(CON=C(N)[C@@H](C)CN(C)C(=O)OC(C)(C)C)no1 ZINC000264825679 550002119 /nfs/dbraw/zinc/00/21/19/550002119.db2.gz GVLXGYUFFPWAPB-NSHDSACASA-N 1 0 355.439 2.485 20 30 FEEDRO CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)C1CCN(C(=O)c2ccccc2)CC1 ZINC000264905912 550003529 /nfs/dbraw/zinc/00/35/29/550003529.db2.gz CWLZVYHCBGHXQU-QGZVFWFLSA-N 1 0 370.497 2.231 20 30 FEEDRO CCS(=O)(=O)C[C@H](C)[NH2+]Cc1ccc(OC)c(OCCCC#N)c1 ZINC000264935380 550004480 /nfs/dbraw/zinc/00/44/80/550004480.db2.gz CMGCSAORKOGLRQ-AWEZNQCLSA-N 1 0 354.472 2.291 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCN(c3ccccc3Cl)C2=O)CC1 ZINC000265902848 550015093 /nfs/dbraw/zinc/01/50/93/550015093.db2.gz DGXAUKTTXGQAEE-QGZVFWFLSA-N 1 0 373.884 2.297 20 30 FEEDRO Cc1ncsc1CCON=C(N)c1ccccc1C[NH+]1CCC(O)CC1 ZINC000267032432 550027352 /nfs/dbraw/zinc/02/73/52/550027352.db2.gz BGZZPOQLIWDUGX-UHFFFAOYSA-N 1 0 374.510 2.288 20 30 FEEDRO C=CCOc1ccc(C(=O)NC[C@]2([NH+](C)C)CCSC2)cc1OC ZINC000267145619 550028287 /nfs/dbraw/zinc/02/82/87/550028287.db2.gz VLEYZJJXAUKXHB-GOSISDBHSA-N 1 0 350.484 2.427 20 30 FEEDRO CC(C)CCNC(=[NH2+])NCCCc1nn(-c2ccccc2)c(N)c1C#N ZINC000267432919 550031846 /nfs/dbraw/zinc/03/18/46/550031846.db2.gz MYIRGOCFIFYHHH-UHFFFAOYSA-N 1 0 353.474 2.209 20 30 FEEDRO C=CCNC(=O)[C@H](C)N1CCCN(Cc2csc([C@@H](C)OC)n2)CC1 ZINC000267725084 550034105 /nfs/dbraw/zinc/03/41/05/550034105.db2.gz MILPKPOBIZHYAD-LSDHHAIUSA-N 1 0 366.531 2.049 20 30 FEEDRO COc1ccc(C#N)cc1NC(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000269103530 550155493 /nfs/dbraw/zinc/15/54/93/550155493.db2.gz GOHDRRPUVSXXKS-IRXDYDNUSA-N 1 0 358.442 2.066 20 30 FEEDRO N#Cc1cccc(C2(NC(=O)NCC3([NH+]4CCCC4)CCOCC3)CC2)c1 ZINC000269645288 550213647 /nfs/dbraw/zinc/21/36/47/550213647.db2.gz HQSLFITXLMIGCG-UHFFFAOYSA-N 1 0 368.481 2.492 20 30 FEEDRO COc1ccc(CCNC(=[NH2+])N[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)cc1OC ZINC000269918292 550236403 /nfs/dbraw/zinc/23/64/03/550236403.db2.gz LYIYJHBSKSZLOM-BMGDILEWSA-N 1 0 359.470 2.108 20 30 FEEDRO N#CCCN(CCC#N)C(=O)C[N@@H+]1CCC[C@@H]1Cn1cnc2ccccc21 ZINC000270548365 550282562 /nfs/dbraw/zinc/28/25/62/550282562.db2.gz YMJFKDLKLJWGRB-QGZVFWFLSA-N 1 0 364.453 2.157 20 30 FEEDRO N#CCc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)cc1 ZINC000270871077 550315843 /nfs/dbraw/zinc/31/58/43/550315843.db2.gz ODHIQTHIZRYQQP-LEWJYISDSA-N 1 0 363.461 2.365 20 30 FEEDRO COC(=O)c1cccc(CCNC(=[NH2+])NCc2ccc(OC)c(OC)c2)c1 ZINC000271049022 550335084 /nfs/dbraw/zinc/33/50/84/550335084.db2.gz NUGXVRBMEJUDCK-UHFFFAOYSA-N 1 0 371.437 2.137 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N2CCN(C)[C@@H](Cc3ccccc3)C2)CC1 ZINC000494104298 561462602 /nfs/dbraw/zinc/46/26/02/561462602.db2.gz BYTIGAYQXHHJER-FQEVSTJZSA-N 1 0 356.514 2.205 20 30 FEEDRO COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](Cc2ccc(N(C)CCC#N)cc2)C1 ZINC000271131133 550343497 /nfs/dbraw/zinc/34/34/97/550343497.db2.gz KDZGEXJTMGODKO-PKOBYXMFSA-N 1 0 372.513 2.400 20 30 FEEDRO COCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2ccc(N(C)CCC#N)cc2)C1 ZINC000271131129 550343537 /nfs/dbraw/zinc/34/35/37/550343537.db2.gz KDZGEXJTMGODKO-IEBWSBKVSA-N 1 0 372.513 2.400 20 30 FEEDRO C=C(C)CN(CC)C(=O)C[NH2+][C@@H](C)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000271770736 550400588 /nfs/dbraw/zinc/40/05/88/550400588.db2.gz NRJVRHKVEIUBDU-INIZCTEOSA-N 1 0 373.497 2.419 20 30 FEEDRO N#Cc1cc(C(=O)NC2CC[NH+](CCOc3ccc(F)cc3)CC2)c[nH]1 ZINC000272002546 550415325 /nfs/dbraw/zinc/41/53/25/550415325.db2.gz OKRQKPQXRWKBHJ-UHFFFAOYSA-N 1 0 356.401 2.299 20 30 FEEDRO CN(C)c1ncc(C[NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)s1 ZINC000272535433 550456702 /nfs/dbraw/zinc/45/67/02/550456702.db2.gz KNJBZJPITHDDFE-INIZCTEOSA-N 1 0 355.467 2.366 20 30 FEEDRO C[NH+]1CCC(C)(CNC(=O)C(=O)Nc2cccc(OCCCC#N)c2)CC1 ZINC000272664087 550463919 /nfs/dbraw/zinc/46/39/19/550463919.db2.gz JAGXJRIUSFGGDJ-UHFFFAOYSA-N 1 0 372.469 2.156 20 30 FEEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH2+][C@H]1CCO[C@@H]1C1CC1 ZINC000494487318 561470653 /nfs/dbraw/zinc/47/06/53/561470653.db2.gz QLAUWXMQQDDHBS-PKOBYXMFSA-N 1 0 374.485 2.109 20 30 FEEDRO COc1ccc(CCNC(=[NH2+])NC[C@H](O)CCc2ccccc2)cc1OC ZINC000273354719 550495523 /nfs/dbraw/zinc/49/55/23/550495523.db2.gz RDQJOYDKISPQKD-GOSISDBHSA-N 1 0 371.481 2.144 20 30 FEEDRO C=CCN(CC=C)C(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(OCC(=O)OC)cc1 ZINC000274439215 550537679 /nfs/dbraw/zinc/53/76/79/550537679.db2.gz IKWPDJDMBVSAIR-JKSUJKDBSA-N 1 0 360.454 2.478 20 30 FEEDRO C=C[C@H]1CCCCN1C(=O)NCc1ccc(N2CC[NH+](CC)CC2)nc1 ZINC000494661694 561473548 /nfs/dbraw/zinc/47/35/48/561473548.db2.gz PICWWHXCLNNHNX-SFHVURJKSA-N 1 0 357.502 2.474 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCC(Cn2cncn2)CC1)C(C)C ZINC000275266839 550571302 /nfs/dbraw/zinc/57/13/02/550571302.db2.gz PYQGKGOHIKDIPF-IBGZPJMESA-N 1 0 374.533 2.398 20 30 FEEDRO CCCOc1ccc(NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C)cc1 ZINC000275937485 550575185 /nfs/dbraw/zinc/57/51/85/550575185.db2.gz WQQSTHJCBAFBBB-UHFFFAOYSA-N 1 0 360.458 2.108 20 30 FEEDRO C#CCN(C(=O)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1)C1CC1 ZINC000275970066 550575362 /nfs/dbraw/zinc/57/53/62/550575362.db2.gz GSJMFCCKINHXIX-UHFFFAOYSA-N 1 0 353.466 2.278 20 30 FEEDRO C[NH+](C)Cc1ccc(C(N)=NOCCOCC(F)(F)C(F)F)cc1 ZINC000276103723 550576838 /nfs/dbraw/zinc/57/68/38/550576838.db2.gz UAWYGXGIANACHB-UHFFFAOYSA-N 1 0 351.344 2.302 20 30 FEEDRO CN1CCO[C@@H](CN(CC2CC2)C(=O)c2ccc(C3(C#N)CC3)cc2)C1 ZINC000276516320 550578743 /nfs/dbraw/zinc/57/87/43/550578743.db2.gz QIFQANBIALLIAP-LJQANCHMSA-N 1 0 353.466 2.425 20 30 FEEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH2+][C@@H](C)c1cn[nH]c1 ZINC000494690056 561474476 /nfs/dbraw/zinc/47/44/76/561474476.db2.gz YWTYJHIXTYIRFT-ZDUSSCGKSA-N 1 0 358.446 2.026 20 30 FEEDRO Cn1cc(CN2CCN(c3ccccc3OCC[NH+](C)C)CC2)cc1C#N ZINC000276791475 550596441 /nfs/dbraw/zinc/59/64/41/550596441.db2.gz SUXZRNKEKGAAQO-UHFFFAOYSA-N 1 0 367.497 2.159 20 30 FEEDRO COc1ccc(NC(=[NH2+])N[C@@H](C)CNC(=O)OC(C)(C)C)cc1OC ZINC000276931232 550612490 /nfs/dbraw/zinc/61/24/90/550612490.db2.gz QWTFRLPLFQZCNI-NSHDSACASA-N 1 0 352.435 2.344 20 30 FEEDRO CCNC(=O)C1(CNC(=[NH2+])NCc2cccc(C(F)(F)F)c2)CCC1 ZINC000276951693 550614793 /nfs/dbraw/zinc/61/47/93/550614793.db2.gz XJWFJWBXBCRUGM-UHFFFAOYSA-N 1 0 356.392 2.416 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)[C@@H]2CCN(C(=O)OCc3ccccc3)C2)CC1 ZINC000277664801 550698786 /nfs/dbraw/zinc/69/87/86/550698786.db2.gz GVIOLDFBYVCSCD-GOSISDBHSA-N 1 0 371.481 2.412 20 30 FEEDRO CC[C@@H]([NH2+]Cc1ccc(C(=O)NCC(N)=O)cc1)c1ccc(C#N)cc1 ZINC000278351268 550776076 /nfs/dbraw/zinc/77/60/76/550776076.db2.gz ZGZSCHPOQRPIGA-GOSISDBHSA-N 1 0 350.422 2.014 20 30 FEEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)CCc1ccc(=O)[nH]c1 ZINC000278400011 550781471 /nfs/dbraw/zinc/78/14/71/550781471.db2.gz BJAKTEOEDQULLI-UHFFFAOYSA-N 1 0 352.438 2.182 20 30 FEEDRO COC[C@H]([NH2+][C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)[C@H]1CCCO1 ZINC000279083272 550853019 /nfs/dbraw/zinc/85/30/19/550853019.db2.gz OHOYSCOAHMCOCE-JCGIZDLHSA-N 1 0 363.433 2.244 20 30 FEEDRO Cc1nc(C#N)c(N2CCC(C(=O)N3CCC(CC[NH+](C)C)CC3)CC2)o1 ZINC000280014051 550952835 /nfs/dbraw/zinc/95/28/35/550952835.db2.gz FAAFDQKFPBLNJU-UHFFFAOYSA-N 1 0 373.501 2.261 20 30 FEEDRO C[C@@H]1OCC[C@]12C[N@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)CCO2 ZINC000280472341 550997779 /nfs/dbraw/zinc/99/77/79/550997779.db2.gz PBGGSHIVOHACER-UGSOOPFHSA-N 1 0 363.845 2.420 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccc(OC(C)C)c(C(N)=O)c2)CC1 ZINC000280535431 551005273 /nfs/dbraw/zinc/00/52/73/551005273.db2.gz PJFYDAWPMNHWIJ-UHFFFAOYSA-N 1 0 360.458 2.345 20 30 FEEDRO Cc1oc(C#N)cc1C(=O)NC[C@H](C)N1CCN(c2ccccc2)CC1 ZINC000280611410 551013144 /nfs/dbraw/zinc/01/31/44/551013144.db2.gz QLAZSBXQAMLHKN-HNNXBMFYSA-N 1 0 352.438 2.400 20 30 FEEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CC[C@@](C)(C(N)=O)C2)c1 ZINC000280714092 551024270 /nfs/dbraw/zinc/02/42/70/551024270.db2.gz JNDPKVJDJJWMTB-OXQOHEQNSA-N 1 0 356.470 2.136 20 30 FEEDRO COC(=O)[C@@H]1C[N@@H+]([C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C[C@H]1C ZINC000280814054 551035053 /nfs/dbraw/zinc/03/50/53/551035053.db2.gz UDAOFRHBNCGJMR-CKEIUWERSA-N 1 0 361.417 2.202 20 30 FEEDRO N#Cc1ccc(C(=O)NCC(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)cc1 ZINC000281003892 551053942 /nfs/dbraw/zinc/05/39/42/551053942.db2.gz ODGYRBGVRJAAEW-IBGZPJMESA-N 1 0 368.481 2.201 20 30 FEEDRO C=CCN1CC[C@@H](Nc2cccc(N3CC[NH+](CC4CC4)CC3)c2)C1=O ZINC000281146004 551068115 /nfs/dbraw/zinc/06/81/15/551068115.db2.gz JPPMJKPGOKURIZ-HXUWFJFHSA-N 1 0 354.498 2.417 20 30 FEEDRO C=CCN1CC[C@@H]([N@H+](C)CCOc2ccc3c(C)cc(=O)oc3c2)C1=O ZINC000281180151 551071233 /nfs/dbraw/zinc/07/12/33/551071233.db2.gz AWYTWYPEGIITOM-QGZVFWFLSA-N 1 0 356.422 2.199 20 30 FEEDRO C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000281212798 551074444 /nfs/dbraw/zinc/07/44/44/551074444.db2.gz DHPSDFTVNKAPHV-VQTJNVASSA-N 1 0 357.498 2.145 20 30 FEEDRO CCOC(=O)[C@]1(COC)CCC[N@H+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000281362311 551088426 /nfs/dbraw/zinc/08/84/26/551088426.db2.gz LHIBUSAEJTVMDZ-HXUWFJFHSA-N 1 0 373.453 2.179 20 30 FEEDRO CCn1nccc1N1CCC[C@H]([NH2+]Cc2ccc(C#N)c(OC)c2)C1=O ZINC000281581874 551116337 /nfs/dbraw/zinc/11/63/37/551116337.db2.gz DHVYGXNMHZGGRL-INIZCTEOSA-N 1 0 353.426 2.068 20 30 FEEDRO CCOC(=O)N1CCC(NC(=[NH2+])NCCc2ccc3[nH]ccc3c2)CC1 ZINC000281865175 551150106 /nfs/dbraw/zinc/15/01/06/551150106.db2.gz VVAHKEQORQYKOO-UHFFFAOYSA-N 1 0 357.458 2.236 20 30 FEEDRO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000281959059 551162492 /nfs/dbraw/zinc/16/24/92/551162492.db2.gz YMZXBLMXRMAJQQ-IEBWSBKVSA-N 1 0 358.486 2.326 20 30 FEEDRO COCC[N@@H+]1CC[C@H](NC(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)C1 ZINC000282570205 551247360 /nfs/dbraw/zinc/24/73/60/551247360.db2.gz AZZRSDPWLMFHPG-ZDUSSCGKSA-N 1 0 372.347 2.299 20 30 FEEDRO C[C@H](CC#N)N(C)S(=O)(=O)N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000283073481 551307433 /nfs/dbraw/zinc/30/74/33/551307433.db2.gz UYIGODBTOMOTSZ-SJLPKXTDSA-N 1 0 364.515 2.062 20 30 FEEDRO C#Cc1cc(F)c(NC(=O)C(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)c(F)c1 ZINC000283086324 551309311 /nfs/dbraw/zinc/30/93/11/551309311.db2.gz YOSUACGRMOEXCJ-QWHCGFSZSA-N 1 0 363.408 2.121 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H](c2ccccc2)C2CC2)CC1 ZINC000283706314 551413094 /nfs/dbraw/zinc/41/30/94/551413094.db2.gz IWSWEYIYSBAHPS-IBGZPJMESA-N 1 0 355.482 2.411 20 30 FEEDRO CC(C)[NH+](CCCNC(=O)C(=O)N[C@H](C)c1ccc(C#N)cc1)C(C)C ZINC000284044193 551473775 /nfs/dbraw/zinc/47/37/75/551473775.db2.gz PQLRBBYQVDUDHG-MRXNPFEDSA-N 1 0 358.486 2.361 20 30 FEEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000284117407 551486945 /nfs/dbraw/zinc/48/69/45/551486945.db2.gz CPUOVDRCZGVCTH-OALUTQOASA-N 1 0 368.481 2.040 20 30 FEEDRO C[C@H](NC(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)c1ccc(C#N)cc1 ZINC000284169669 551497185 /nfs/dbraw/zinc/49/71/85/551497185.db2.gz YRWPSRGKEKFLLB-QFBILLFUSA-N 1 0 368.481 2.212 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)c2ccc(OC)cc2)CC1 ZINC000284235806 551506522 /nfs/dbraw/zinc/50/65/22/551506522.db2.gz UFBUSEICPFKSTI-HNNXBMFYSA-N 1 0 359.470 2.029 20 30 FEEDRO Cn1c(CC#N)nnc1SC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000284218756 551506808 /nfs/dbraw/zinc/50/68/08/551506808.db2.gz MINFZWQWOVAOSM-MRXNPFEDSA-N 1 0 357.483 2.264 20 30 FEEDRO C=CCSc1ccccc1NC(=O)CN1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000284360781 551532366 /nfs/dbraw/zinc/53/23/66/551532366.db2.gz SUNDNZFPASKUKL-ZDUSSCGKSA-N 1 0 374.466 2.459 20 30 FEEDRO COC[C@H](C)NC(=[NH2+])NCCCCCNC(=O)OCc1ccccc1 ZINC000284954062 551676501 /nfs/dbraw/zinc/67/65/01/551676501.db2.gz FCANQXUAGWCVQL-HNNXBMFYSA-N 1 0 350.463 2.022 20 30 FEEDRO Cc1cccc(CCCNC2=[NH+]C[C@H]3CN(C(=O)OC(C)(C)C)CCN23)n1 ZINC000285150827 551711509 /nfs/dbraw/zinc/71/15/09/551711509.db2.gz RURAUOPOYFDOTE-KRWDZBQOSA-N 1 0 373.501 2.203 20 30 FEEDRO Cn1cc(CN2CCO[C@@]3(CCCOC3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000285365036 551744303 /nfs/dbraw/zinc/74/43/03/551744303.db2.gz QNPNEFNCCXQJLQ-FQEVSTJZSA-N 1 0 352.438 2.340 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)c2cccc(OCC)c2)CC1 ZINC000285616891 551783682 /nfs/dbraw/zinc/78/36/82/551783682.db2.gz ULGIPJSCTRMPOC-HNNXBMFYSA-N 1 0 359.470 2.029 20 30 FEEDRO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000286728636 551919542 /nfs/dbraw/zinc/91/95/42/551919542.db2.gz BLSHADSGAFUTFV-UKRRQHHQSA-N 1 0 374.872 2.483 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[C@@H](Cc3ccccc3)C2)CC1 ZINC000286735231 551920403 /nfs/dbraw/zinc/92/04/03/551920403.db2.gz RTPXBSUUZRYPEA-ICSRJNTNSA-N 1 0 369.509 2.281 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H](CC)c2nc(C)cs2)CC1 ZINC000286813050 551928571 /nfs/dbraw/zinc/92/85/71/551928571.db2.gz VTKGPYYQFGCJNI-HNNXBMFYSA-N 1 0 364.515 2.176 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)o1 ZINC000286879381 551936037 /nfs/dbraw/zinc/93/60/37/551936037.db2.gz MTVJUWTWOFDQCQ-CYBMUJFWSA-N 1 0 365.480 2.403 20 30 FEEDRO COc1ccncc1COC(=O)C1CCN(c2oc(C)nc2C#N)CC1 ZINC000286891852 551936949 /nfs/dbraw/zinc/93/69/49/551936949.db2.gz KXEQLIHPRNKMBY-UHFFFAOYSA-N 1 0 356.382 2.218 20 30 FEEDRO C=CCN(Cc1ccccc1)C(=O)C(=O)NCCC1CC[NH+](CC)CC1 ZINC000287300690 551986988 /nfs/dbraw/zinc/98/69/88/551986988.db2.gz MPKONDQUXKFVST-UHFFFAOYSA-N 1 0 357.498 2.439 20 30 FEEDRO C#CCC(CC#C)C(=O)N1CCC(C(=O)NCC[NH+](C(C)C)C(C)C)CC1 ZINC000287323378 551989428 /nfs/dbraw/zinc/98/94/28/551989428.db2.gz WPOIBAZFTVQGCH-UHFFFAOYSA-N 1 0 373.541 2.123 20 30 FEEDRO N#CC1(C(=O)N2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)CCC1 ZINC000287604673 552024302 /nfs/dbraw/zinc/02/43/02/552024302.db2.gz YLMPCBWGQPMEGM-IBGZPJMESA-N 1 0 352.482 2.099 20 30 FEEDRO CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)C1 ZINC000288082104 552087702 /nfs/dbraw/zinc/08/77/02/552087702.db2.gz VWHMACJIMLVUQV-IAGOWNOFSA-N 1 0 358.461 2.324 20 30 FEEDRO CC[NH+](CC)CCN(CCC(F)(F)F)S(=O)(=O)c1ccc(C#N)o1 ZINC000288255167 552120206 /nfs/dbraw/zinc/12/02/06/552120206.db2.gz TUICSMWRCISEAV-UHFFFAOYSA-N 1 0 367.393 2.436 20 30 FEEDRO C[NH+](C)CCCOc1cnccc1CNC(=O)c1c(F)cc(C#N)cc1F ZINC000288636188 552189200 /nfs/dbraw/zinc/18/92/00/552189200.db2.gz BVZBBOGRQMDYNK-UHFFFAOYSA-N 1 0 374.391 2.492 20 30 FEEDRO C[NH+](C)CCCOc1cnccc1CNC(=O)c1ccc(CC#N)cc1 ZINC000288798696 552214597 /nfs/dbraw/zinc/21/45/97/552214597.db2.gz YVRSXTWCRAKUHW-UHFFFAOYSA-N 1 0 352.438 2.408 20 30 FEEDRO CCCN(CC[NH+]1CCCC1)C(=O)C(=O)Nc1ccccc1O[C@H](C)C#N ZINC000288922398 552236499 /nfs/dbraw/zinc/23/64/99/552236499.db2.gz IDIYLMYTOXMODE-MRXNPFEDSA-N 1 0 372.469 2.250 20 30 FEEDRO N#Cc1ccc(CS(=O)(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000289141485 552272439 /nfs/dbraw/zinc/27/24/39/552272439.db2.gz KCRDNKDTHSDNBR-HKUYNNGSSA-N 1 0 359.495 2.337 20 30 FEEDRO C#Cc1ccc(C[N@H+]2CCCN(Cc3nc([C@@H](C)OC)no3)CC2)cc1 ZINC000289214507 552283790 /nfs/dbraw/zinc/28/37/90/552283790.db2.gz IVLSZZHGVJEDLL-MRXNPFEDSA-N 1 0 354.454 2.466 20 30 FEEDRO C[NH+](C)Cc1ccccc1CNS(=O)(=O)Cc1cc(C#N)ccc1F ZINC000500665468 561578881 /nfs/dbraw/zinc/57/88/81/561578881.db2.gz ILAPMUBQLZIQFD-UHFFFAOYSA-N 1 0 361.442 2.379 20 30 FEEDRO C[C@H](CNC(=O)C(=O)Nc1ccc(C#N)c(F)c1)[N@H+](C)Cc1ccccc1 ZINC000290232819 552446052 /nfs/dbraw/zinc/44/60/52/552446052.db2.gz LCAVDJPEFVACKK-CQSZACIVSA-N 1 0 368.412 2.273 20 30 FEEDRO C[C@@H](Oc1ccc(C#N)cc1)C(=O)N(CC[NH+](C)C)Cc1ccccn1 ZINC000500796250 561582678 /nfs/dbraw/zinc/58/26/78/561582678.db2.gz QHXZCHFPXMTTBY-MRXNPFEDSA-N 1 0 352.438 2.311 20 30 FEEDRO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N(Cc1ccc(C#N)cc1)C(C)C ZINC000290394967 552472237 /nfs/dbraw/zinc/47/22/37/552472237.db2.gz NWCPKTQBKQTDOB-MRXNPFEDSA-N 1 0 358.486 2.142 20 30 FEEDRO C=C(C)Cn1c(-c2cnn(C)c2)nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000290888726 552556452 /nfs/dbraw/zinc/55/64/52/552556452.db2.gz BLSWXMDDWHCPHR-WBVHZDCISA-N 1 0 357.506 2.421 20 30 FEEDRO N#Cc1cnc2ccc(OC(F)F)cc2c1N1CCC([NH2+]CCO)CC1 ZINC000290906449 552559090 /nfs/dbraw/zinc/55/90/90/552559090.db2.gz GCPPULYOGIQUCZ-UHFFFAOYSA-N 1 0 362.380 2.259 20 30 FEEDRO N#C[C@H]1CN(C(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000291194638 552598532 /nfs/dbraw/zinc/59/85/32/552598532.db2.gz JTHDFNXIKSMWJD-MOPGFXCFSA-N 1 0 356.470 2.223 20 30 FEEDRO C[C@@H](c1ccccc1)[C@H]([NH2+]CCC(=O)Nc1ccc(C#N)cc1)C(N)=O ZINC000292046164 552688075 /nfs/dbraw/zinc/68/80/75/552688075.db2.gz AVMCENFWQDFFMT-LIRRHRJNSA-N 1 0 350.422 2.134 20 30 FEEDRO C[C@@H]1C[NH+](CCCNC(=O)c2cnc(C(F)(F)F)c(C#N)c2)C[C@@H](C)O1 ZINC000293040041 552783225 /nfs/dbraw/zinc/78/32/25/552783225.db2.gz KRWYUIKXOWVNEZ-VXGBXAGGSA-N 1 0 370.375 2.201 20 30 FEEDRO N#Cc1ccc(NC(=O)C(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)nc1 ZINC000293141424 552792915 /nfs/dbraw/zinc/79/29/15/552792915.db2.gz RVTNTSQYJSSWTB-KRWDZBQOSA-N 1 0 369.469 2.006 20 30 FEEDRO C[N@H+](C[C@@H](O)Cc1ccccc1)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000293486246 552828809 /nfs/dbraw/zinc/82/88/09/552828809.db2.gz YMSMJLVVMGWUSU-DLBZAZTESA-N 1 0 355.463 2.260 20 30 FEEDRO C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)NCCCCC[NH+]1CCCC1 ZINC000293863343 552863519 /nfs/dbraw/zinc/86/35/19/552863519.db2.gz ZRHGTBCIUNCKFN-INIZCTEOSA-N 1 0 372.469 2.298 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)C1CCN(c2nc3ccccc3o2)CC1 ZINC000294015560 552875380 /nfs/dbraw/zinc/87/53/80/552875380.db2.gz PZUDXDSJIDELFW-UHFFFAOYSA-N 1 0 354.454 2.116 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)COc1ccc(Oc2ccccn2)cc1 ZINC000294120499 552883789 /nfs/dbraw/zinc/88/37/89/552883789.db2.gz ZPZIUTMKDJEATF-UHFFFAOYSA-N 1 0 353.422 2.324 20 30 FEEDRO C=CCOc1ccc(CC(=O)N2CC[C@@H](N3CC[NH+](CC)CC3)C2)cc1 ZINC000294593312 552918704 /nfs/dbraw/zinc/91/87/04/552918704.db2.gz LPOJQHVPIPYTCX-LJQANCHMSA-N 1 0 357.498 2.032 20 30 FEEDRO C=CC[NH+](CC=C)C[C@H]1CCCN(C(=O)CNC(=O)OC(C)(C)C)C1 ZINC000294983547 552949303 /nfs/dbraw/zinc/94/93/03/552949303.db2.gz SQOPRVYVTLROPT-MRXNPFEDSA-N 1 0 351.491 2.424 20 30 FEEDRO C[C@H](C1CC[NH+](C)CC1)N(C)S(=O)(=O)Cc1ccc(F)cc1C#N ZINC000295070684 552956104 /nfs/dbraw/zinc/95/61/04/552956104.db2.gz CMFIGULQYZHXBC-CYBMUJFWSA-N 1 0 353.463 2.189 20 30 FEEDRO CC(C)COC[C@@H](O)C[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000501969822 561609040 /nfs/dbraw/zinc/60/90/40/561609040.db2.gz PGAHDBSSWKBYSX-IBGZPJMESA-N 1 0 359.470 2.242 20 30 FEEDRO N#Cc1csc(C[NH2+]C[C@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)c1 ZINC000502054438 561610950 /nfs/dbraw/zinc/61/09/50/561610950.db2.gz NBLZVLLEZBMODV-ROUUACIJSA-N 1 0 366.490 2.308 20 30 FEEDRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]CCCC#N ZINC000295510515 553018539 /nfs/dbraw/zinc/01/85/39/553018539.db2.gz UUKJZUPYDYHKFA-NSHDSACASA-N 1 0 354.248 2.356 20 30 FEEDRO C#CCCOc1ccc(C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)cc1 ZINC000295760204 553055657 /nfs/dbraw/zinc/05/56/57/553055657.db2.gz HQVXRBZRTOUOHS-QGZVFWFLSA-N 1 0 356.466 2.319 20 30 FEEDRO CO[C@@H]1[C@H](C)[C@@H]([NH2+]CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1(C)C ZINC000296159681 553114327 /nfs/dbraw/zinc/11/43/27/553114327.db2.gz UMKGZTQMTWAKAA-FSPWUOQZSA-N 1 0 367.453 2.332 20 30 FEEDRO CCOc1ccc(C#N)cc1NC(=O)C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000296312466 553139315 /nfs/dbraw/zinc/13/93/15/553139315.db2.gz WRBVTYALJWVYRP-UHFFFAOYSA-N 1 0 370.453 2.029 20 30 FEEDRO CO[C@@H](Cc1ccccc1)C[N@@H+]1CCN(c2nccnc2C#N)C[C@H]1C ZINC000296723363 553203210 /nfs/dbraw/zinc/20/32/10/553203210.db2.gz HRTTTXJJKQZFDU-AEFFLSMTSA-N 1 0 351.454 2.116 20 30 FEEDRO Cc1cc(N(CCC#N)C(=O)C[NH2+][C@@](C)(C(N)=O)C(C)C)ccc1Cl ZINC000297681552 553324312 /nfs/dbraw/zinc/32/43/12/553324312.db2.gz PHZDSFBVYFUEID-GOSISDBHSA-N 1 0 364.877 2.385 20 30 FEEDRO COC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](CCOc2cccc(C#N)c2)CC1 ZINC000298292617 553408887 /nfs/dbraw/zinc/40/88/87/553408887.db2.gz PBYVACMTOICGQM-MOPGFXCFSA-N 1 0 358.438 2.227 20 30 FEEDRO CC(C)(C#N)c1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000298590386 553445497 /nfs/dbraw/zinc/44/54/97/553445497.db2.gz IHNIVTKBUVGBLZ-SJORKVTESA-N 1 0 354.454 2.169 20 30 FEEDRO CC(=O)NCC1CC[NH+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2)CC1 ZINC000298780038 553471907 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N#Cc1c(F)cccc1N1CCN(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000504338695 561656539 /nfs/dbraw/zinc/65/65/39/561656539.db2.gz NJKOFLJHOOBCMN-HZPDHXFCSA-N 1 0 371.460 2.156 20 30 FEEDRO CC[NH+]1CCN([C@H](C)CNc2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000301520639 553657424 /nfs/dbraw/zinc/65/74/24/553657424.db2.gz LDPJNWLVMBLSKZ-CQSZACIVSA-N 1 0 368.441 2.453 20 30 FEEDRO N#Cc1ccnc(NC2CC[NH+](CC3(O)CCCCC3)CC2)c1[N+](=O)[O-] ZINC000301919709 553691861 /nfs/dbraw/zinc/69/18/61/553691861.db2.gz FJPKEESDPRFSBJ-UHFFFAOYSA-N 1 0 359.430 2.433 20 30 FEEDRO CC(C)(C)NC(=O)C[NH+]1CCC(CNc2nc3ccccn3c2C#N)CC1 ZINC000302150149 553707275 /nfs/dbraw/zinc/70/72/75/553707275.db2.gz HNGWDTYMIJPRKU-UHFFFAOYSA-N 1 0 368.485 2.245 20 30 FEEDRO CCn1c(CC[NH3+])nnc1Sc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1 ZINC000302678085 553725220 /nfs/dbraw/zinc/72/52/20/553725220.db2.gz QRJGXCLDTQQRPC-UHFFFAOYSA-N 1 0 369.410 2.278 20 30 FEEDRO [NH2+]=C(NCC[S@](=O)Cc1ccccc1)N[C@H]1CCOc2ccccc21 ZINC000304756560 553747699 /nfs/dbraw/zinc/74/76/99/553747699.db2.gz NUCSJOJBTRJKPF-GKVSMKOHSA-N 1 0 357.479 2.363 20 30 FEEDRO CN1CCN(C(=O)CCNC(=O)N2CCCC[C@H]2Cc2ccccc2)CC1 ZINC000328694419 553808237 /nfs/dbraw/zinc/80/82/37/553808237.db2.gz JZHTVXWJHBMVLY-IBGZPJMESA-N 1 0 372.513 2.162 20 30 FEEDRO CC[N@@H+]1CCC[C@H](CNC(=O)N[C@H]2CCN(C(=O)C3CCCCC3)C2)C1 ZINC000328721842 553812119 /nfs/dbraw/zinc/81/21/19/553812119.db2.gz RNMVVQOQIHISRL-AEFFLSMTSA-N 1 0 364.534 2.403 20 30 FEEDRO O=C(N[C@@H]1CCCC12CCOCC2)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000328764438 553818784 /nfs/dbraw/zinc/81/87/84/553818784.db2.gz DSTAFISKFFESOU-ZWKOTPCHSA-N 1 0 365.518 2.294 20 30 FEEDRO C[N@H+](CC(=O)N1CCCN(c2ccccc2C#N)CC1)[C@H]1CCSC1 ZINC000328795570 553823586 /nfs/dbraw/zinc/82/35/86/553823586.db2.gz CKEFWFMLOOCFFI-KRWDZBQOSA-N 1 0 358.511 2.034 20 30 FEEDRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)Nc2ccc3c(c2)OCC(=O)N3)C1 ZINC000328837310 553830796 /nfs/dbraw/zinc/83/07/96/553830796.db2.gz NFRJOCWBAGHLJZ-CQSZACIVSA-N 1 0 362.430 2.350 20 30 FEEDRO Cc1nc2c(c(=O)[nH]n2C)c(C)c1CNC(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000328842223 553831433 /nfs/dbraw/zinc/83/14/33/553831433.db2.gz VTPGTDJJLMYEHT-LBPRGKRZSA-N 1 0 363.487 2.185 20 30 FEEDRO C[C@@H]1C[C@H](CCNC(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)CCO1 ZINC000328844897 553831551 /nfs/dbraw/zinc/83/15/51/553831551.db2.gz VGBCUZFKCCDERU-KURKYZTESA-N 1 0 353.507 2.150 20 30 FEEDRO C[NH+]1CCC([C@@H]2CCN(C(=O)N[C@@H]3CC(=O)N(c4ccccc4)C3)C2)CC1 ZINC000328852429 553832738 /nfs/dbraw/zinc/83/27/38/553832738.db2.gz IULKKFQMEOGLMO-QZTJIDSGSA-N 1 0 370.497 2.370 20 30 FEEDRO CC[NH+]1CCC(NC(=O)[C@H]2CCN(c3ccc4c(c3)OCCO4)C2=O)CC1 ZINC000328864791 553835354 /nfs/dbraw/zinc/83/53/54/553835354.db2.gz ZLYHBYZSFGTMQE-MRXNPFEDSA-N 1 0 373.453 2.252 20 30 FEEDRO NC(=O)N[C@@H]1CCN(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)C1 ZINC000328934942 553848406 /nfs/dbraw/zinc/84/84/06/553848406.db2.gz QFLJHVDVRLZHQE-OAHLLOKOSA-N 1 0 351.495 2.246 20 30 FEEDRO O=C(NCCNC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1)NC1CCCCC1 ZINC000328944666 553850347 /nfs/dbraw/zinc/85/03/47/553850347.db2.gz UVKAXIGGYHIYDF-KRWDZBQOSA-N 1 0 366.506 2.423 20 30 FEEDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)[C@H]2CCc3n[nH]nc3C2)CC1 ZINC000328947273 553850962 /nfs/dbraw/zinc/85/09/62/553850962.db2.gz GUBXXLVDZDQQKM-HIFRSBDPSA-N 1 0 354.458 2.487 20 30 FEEDRO Cn1nccc1[C@H]1[C@H](CNC(=O)N[C@H]2CCCSC2)CCC[N@@H+]1C ZINC000328968396 553855757 /nfs/dbraw/zinc/85/57/57/553855757.db2.gz AJZYDJYMUHZYLM-OFQRWUPVSA-N 1 0 351.520 2.202 20 30 FEEDRO CC1=CC[N@H+](CCNC(=O)[C@@H]2OCC(=O)N(C)[C@H]2c2ccccc2)CC1 ZINC000328993558 553860784 /nfs/dbraw/zinc/86/07/84/553860784.db2.gz JALPSNCNDSUSIA-RBUKOAKNSA-N 1 0 357.454 2.193 20 30 FEEDRO CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000329020963 553865858 /nfs/dbraw/zinc/86/58/58/553865858.db2.gz HVOKVQFGULEVJJ-CVEARBPZSA-N 1 0 366.506 2.280 20 30 FEEDRO C[C@@H]1CN(CC(=O)NCc2ccc(C(=O)N3CCCC3)cc2)[C@@H](C)C[N@@H+]1C ZINC000329024039 553866578 /nfs/dbraw/zinc/86/65/78/553866578.db2.gz URLGBEDCGFAVKJ-SJORKVTESA-N 1 0 372.513 2.404 20 30 FEEDRO C[NH+]1CCC2(CCCN2C(=O)NCc2cccc(-n3cncn3)c2)CC1 ZINC000329065554 553874358 /nfs/dbraw/zinc/87/43/58/553874358.db2.gz KXGWYOMHZDSVNC-UHFFFAOYSA-N 1 0 354.458 2.242 20 30 FEEDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CC[C@H]3[C@@H](C2)NC(=O)N3C)C1 ZINC000329074285 553875456 /nfs/dbraw/zinc/87/54/56/553875456.db2.gz BIZZLNFRYDDFMD-OAGGEKHMSA-N 1 0 365.522 2.103 20 30 FEEDRO C[C@H](CCNC(=O)N1CCOC[C@@H]1[C@@H]1CCC[C@@H]1O)[NH+]1CCCCC1 ZINC000329099600 553880212 /nfs/dbraw/zinc/88/02/12/553880212.db2.gz ZDUSVLVNTKEDIT-XDNAFOTISA-N 1 0 353.507 2.027 20 30 FEEDRO C[C@@H]1C[C@H](NC(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)CCO1 ZINC000329104716 553881054 /nfs/dbraw/zinc/88/10/54/553881054.db2.gz OEILPAMOMHHAIR-CRAIPNDOSA-N 1 0 361.486 2.214 20 30 FEEDRO CCS(=O)(=O)N1CCC[C@H](C(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)C1 ZINC000329116388 553883158 /nfs/dbraw/zinc/88/31/58/553883158.db2.gz IOMSEKSPJHDRSZ-HOTGVXAUSA-N 1 0 359.536 2.125 20 30 FEEDRO O=C(NCC1([NH+]2CCCC2)CCOCC1)c1ccccc1N1CCOCC1 ZINC000329115328 553883209 /nfs/dbraw/zinc/88/32/09/553883209.db2.gz STAAMWFQSWUSRS-UHFFFAOYSA-N 1 0 373.497 2.473 20 30 FEEDRO CCC[NH+]1CCC(CNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)CC1 ZINC000506181767 561692594 /nfs/dbraw/zinc/69/25/94/561692594.db2.gz GAISSGLYNYFVNR-LJQANCHMSA-N 1 0 351.491 2.486 20 30 FEEDRO C[C@H](CNC(=O)N[C@@H]1CCO[C@]2(CCOC2)C1)[N@@H+]1CCc2ccccc2C1 ZINC000329129133 553885412 /nfs/dbraw/zinc/88/54/12/553885412.db2.gz VUROPDCMVVHUIT-OZOXKJRCSA-N 1 0 373.497 2.275 20 30 FEEDRO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1cnn2c1[nH]c(=O)c1ccccc12 ZINC000329135160 553886938 /nfs/dbraw/zinc/88/69/38/553886938.db2.gz BZLDOQLHCWDRHW-CYBMUJFWSA-N 1 0 365.437 2.497 20 30 FEEDRO CC(C)[NH+]1CCC(NC(=O)N[C@@H]2CC(=O)N(C3CCCCC3)C2)CC1 ZINC000329152905 553890352 /nfs/dbraw/zinc/89/03/52/553890352.db2.gz UAXOYOMNQXIBGV-MRXNPFEDSA-N 1 0 350.507 2.296 20 30 FEEDRO CCCc1ncc(C(=O)NC2CC[NH+]([C@@H]3CCN(C)C3=O)CC2)s1 ZINC000329171644 553895006 /nfs/dbraw/zinc/89/50/06/553895006.db2.gz KPVFQVKEODXBIG-CYBMUJFWSA-N 1 0 350.488 2.095 20 30 FEEDRO O=C(N[C@@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000329172921 553895078 /nfs/dbraw/zinc/89/50/78/553895078.db2.gz AJUUFVMXRAWDGC-HFTRVMKXSA-N 1 0 370.515 2.086 20 30 FEEDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cccc(N2CCCS2(=O)=O)c1 ZINC000329242124 553909433 /nfs/dbraw/zinc/90/94/33/553909433.db2.gz SEDLXOOMOSTASG-KRWDZBQOSA-N 1 0 365.499 2.406 20 30 FEEDRO C[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCN(C(=O)NC4CCCC4)C3)C2)C1 ZINC000329250027 553910707 /nfs/dbraw/zinc/91/07/07/553910707.db2.gz XJIQXMBKVOJABN-UZLBHIALSA-N 1 0 362.518 2.109 20 30 FEEDRO C[C@H](NC(=O)N1CCC[C@@H]1C[C@@]1(C)NC(=O)NC1=O)C1=CC[N@H+](C)CC1 ZINC000329250492 553911144 /nfs/dbraw/zinc/91/11/44/553911144.db2.gz BAQBNUNRUPCPPT-WPKBUWHJSA-N 1 0 363.462 2.048 20 30 FEEDRO CC(=O)N1CCCN(C(=O)NC[C@@H]2CCC[N@@H+]2CC2CCCCC2)CC1 ZINC000329297585 553920419 /nfs/dbraw/zinc/92/04/19/553920419.db2.gz TYJXSYOVECIMKI-IBGZPJMESA-N 1 0 364.534 2.499 20 30 FEEDRO CO[C@@H]1[C@H](C)[C@H](NC(=O)N2CCC(CC[NH+]3CCOCC3)CC2)C1(C)C ZINC000329303666 553922049 /nfs/dbraw/zinc/92/20/49/553922049.db2.gz WXMZHWBVABMGFH-BPQIPLTHSA-N 1 0 367.534 2.394 20 30 FEEDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N1CCC[C@@H]1[C@@H]1COCC[C@@H]1O ZINC000329344768 553928966 /nfs/dbraw/zinc/92/89/66/553928966.db2.gz UJFJNIXZNHBVSL-XDNAFOTISA-N 1 0 353.507 2.027 20 30 FEEDRO Cc1nc([C@@H]2CCCN2C(=O)NC2CC[NH+](Cc3ccncc3)CC2)no1 ZINC000329378714 553935003 /nfs/dbraw/zinc/93/50/03/553935003.db2.gz MRFSGFXOONNEGT-KRWDZBQOSA-N 1 0 370.457 2.489 20 30 FEEDRO C[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCN(c4ccc(C#N)cc4F)C3)C2)C1 ZINC000329383206 553935359 /nfs/dbraw/zinc/93/53/59/553935359.db2.gz OUUWPIPEJGXXQZ-UTKZUKDTSA-N 1 0 370.472 2.468 20 30 FEEDRO CC(C)c1nnc2n1C[C@H]([NH+]=C([O-])N1C[C@H]([NH+]3CCCC3)C[C@H]1C)CC2 ZINC000329389179 553937437 /nfs/dbraw/zinc/93/74/37/553937437.db2.gz RRZLQLXPIQZLNF-BZUAXINKSA-N 1 0 360.506 2.189 20 30 FEEDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCN(C(=O)NC4CCCC4)C3)[C@H]2C1 ZINC000329417029 553942457 /nfs/dbraw/zinc/94/24/57/553942457.db2.gz FXVTYRFKVKLNFK-NUJGCVRESA-N 1 0 362.518 2.108 20 30 FEEDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)Nc3cccc(C(=O)N4CCCC4)c3)[C@H]2C1 ZINC000329423212 553943994 /nfs/dbraw/zinc/94/39/94/553943994.db2.gz HSEWDRTZBIOOLE-QAPCUYQASA-N 1 0 356.470 2.494 20 30 FEEDRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CCC[C@@H]2[C@@H]2CCCC[C@H]2O)C1 ZINC000329430502 553944955 /nfs/dbraw/zinc/94/49/55/553944955.db2.gz HLZRAGPTKBNYST-FCGDIQPGSA-N 1 0 367.534 2.273 20 30 FEEDRO NC(=O)c1ccc(NC(=O)CC[N@@H+]2CCN3CCOC[C@H]3C2)cc1Cl ZINC000329434095 553945766 /nfs/dbraw/zinc/94/57/66/553945766.db2.gz LIELNFIEMVZEIK-CYBMUJFWSA-N 1 0 366.849 2.218 20 30 FEEDRO CC[C@@H]1C[C@H](C(=O)NCc2cccnc2N2CC[NH+](C)CC2)CC(=O)N1 ZINC000329464852 553951731 /nfs/dbraw/zinc/95/17/31/553951731.db2.gz UUACLGBWJGJWSZ-JKSUJKDBSA-N 1 0 359.474 2.435 20 30 FEEDRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)N[C@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000329466335 553951872 /nfs/dbraw/zinc/95/18/72/553951872.db2.gz RXRLQPJTJQXZAA-STQMWFEESA-N 1 0 362.861 2.186 20 30 FEEDRO C[C@H](CCNC(=O)N1CCC[C@@H]1[C@@H]1COCC[C@@H]1O)[NH+]1CCCCC1 ZINC000329473488 553953201 /nfs/dbraw/zinc/95/32/01/553953201.db2.gz BKPKQYMADRNYGD-XDNAFOTISA-N 1 0 353.507 2.027 20 30 FEEDRO CCC[N@@H+]1CC[C@H](CNC(=O)N2CCC[C@@](O)(C(F)(F)F)CC2)C1 ZINC000329493692 553957353 /nfs/dbraw/zinc/95/73/53/553957353.db2.gz WQCUGCCFNZNXEK-HIFRSBDPSA-N 1 0 351.413 2.412 20 30 FEEDRO C[NH+](C)C1(CNC(=O)N2CC[C@H](NC(=O)NC3CC3)C2)CCCCCC1 ZINC000329502752 553958797 /nfs/dbraw/zinc/95/87/97/553958797.db2.gz HYQKZMIBCXDNMQ-INIZCTEOSA-N 1 0 365.522 2.295 20 30 FEEDRO CCO[C@@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)[C@]12CCCO2 ZINC000329543239 553965210 /nfs/dbraw/zinc/96/52/10/553965210.db2.gz YFCBTECTXGOXIN-IMBTUZDBSA-N 1 0 352.475 2.313 20 30 FEEDRO Cc1nn(C)c(C)c1NC(=O)[C@H](C)N1CCOCC2(CCOCC2)C1 ZINC000329566635 553968980 /nfs/dbraw/zinc/96/89/80/553968980.db2.gz OVZSMYRHRSWLLT-HNNXBMFYSA-N 1 0 350.463 2.142 20 30 FEEDRO COCCn1cc2c(n1)[C@H](NC(=O)N(C)C[C@H]1CCC[N@H+](C)C1)CCC2 ZINC000329598497 553974650 /nfs/dbraw/zinc/97/46/50/553974650.db2.gz WKZJHOGHWHCBOW-DOTOQJQBSA-N 1 0 363.506 2.095 20 30 FEEDRO C[C@@H]1C[C@H](NC(=O)CSCc2cc(=O)n3ccsc3n2)CC[N@@H+]1C ZINC000329645638 553981533 /nfs/dbraw/zinc/98/15/33/553981533.db2.gz DKDALMUFCPGZAD-VXGBXAGGSA-N 1 0 366.512 2.428 20 30 FEEDRO COCC[C@H]1COCCN1C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000329648460 553981841 /nfs/dbraw/zinc/98/18/41/553981841.db2.gz AYYSQESVLGXBTI-SFHVURJKSA-N 1 0 353.507 2.435 20 30 FEEDRO CC[C@H](C)[NH2+][C@@H](CNC(=O)C(=O)Nc1cccc(C#N)c1)c1ccco1 ZINC000506956155 561712649 /nfs/dbraw/zinc/71/26/49/561712649.db2.gz VKPYZNJMIYSURD-BBRMVZONSA-N 1 0 354.410 2.335 20 30 FEEDRO Cn1c2ccc(CN3CCN(Cc4ccc(C#N)cc4)CC3)cc2oc1=O ZINC000506994130 561713418 /nfs/dbraw/zinc/71/34/18/561713418.db2.gz CVGXBFJVLWXEFI-UHFFFAOYSA-N 1 0 362.433 2.321 20 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Cc1nnc2n1C[C@@H](CNC(=O)N1CC[C@H]3CC[C@@H](C1)[N@@H+]3C(C)C)CC2 ZINC000329802534 554008412 /nfs/dbraw/zinc/00/84/12/554008412.db2.gz KLNJZIOMASNZAB-ZACQAIPSSA-N 1 0 360.506 2.010 20 30 FEEDRO Cc1ccc(CC(=O)N2CCN(C(=O)N[C@@H]3CC[N@H+](C)[C@H](C)C3)CC2)cc1 ZINC000329821909 554012243 /nfs/dbraw/zinc/01/22/43/554012243.db2.gz YWKWIWBAYJRMNR-IEBWSBKVSA-N 1 0 372.513 2.078 20 30 FEEDRO C[NH+]1CCC2(CCCN2C(=O)NCc2ccc(S(C)(=O)=O)s2)CC1 ZINC000329852617 554019053 /nfs/dbraw/zinc/01/90/53/554019053.db2.gz UVRDRODBFGBOJT-UHFFFAOYSA-N 1 0 371.528 2.126 20 30 FEEDRO CCN1C(=O)CC[C@H](C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)[C@H]1c1cnn(C)c1 ZINC000329884550 554024657 /nfs/dbraw/zinc/02/46/57/554024657.db2.gz SNZXBCQWAURDGP-CKNFYHOISA-N 1 0 373.501 2.159 20 30 FEEDRO C[C@@H]1OCC[C@]12CN(C(=O)NC[C@H](C1CCCCC1)[NH+](C)C)CCO2 ZINC000329899222 554027802 /nfs/dbraw/zinc/02/78/02/554027802.db2.gz FJAOVGQRDFGJER-WDYCEAGBSA-N 1 0 353.507 2.291 20 30 FEEDRO C[C@@H]1CN(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)C[C@@H](C2CC2)O1 ZINC000329925904 554032719 /nfs/dbraw/zinc/03/27/19/554032719.db2.gz VTFVLFOCNWEDQJ-OAOYMFHYSA-N 1 0 365.518 2.168 20 30 FEEDRO CC[C@@H](CNS(=O)(=O)c1ccc(C#N)nc1)N1CCc2ccccc2C1 ZINC000507426243 561729040 /nfs/dbraw/zinc/72/90/40/561729040.db2.gz DHMLELPGERYNKO-SFHVURJKSA-N 1 0 370.478 2.068 20 30 FEEDRO CC1CC[NH+]([C@H](CNC(=O)N[C@@H]2CC[S@@](=O)C2)c2ccccc2)CC1 ZINC000329997360 554046727 /nfs/dbraw/zinc/04/67/27/554046727.db2.gz QKSVUEDEHZCVTM-QJMRKGMQSA-N 1 0 363.527 2.484 20 30 FEEDRO C[C@@H]1CN(C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)C[C@@]2(CCOC2)O1 ZINC000330000252 554047303 /nfs/dbraw/zinc/04/73/03/554047303.db2.gz WCUNXVXVKKPHFL-SLYNCCJLSA-N 1 0 373.497 2.302 20 30 FEEDRO O=C(N[C@H]1CC[S@@](=O)C1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000330023902 554051262 /nfs/dbraw/zinc/05/12/62/554051262.db2.gz JHMVIMRPAIKROM-CXCPJLFGSA-N 1 0 361.511 2.207 20 30 FEEDRO C[C@@H](NC(=O)N1CCC(c2nnc3n2CCCC3)CC1)C1=CC[N@H+](C)CC1 ZINC000330048634 554055127 /nfs/dbraw/zinc/05/51/27/554055127.db2.gz ISMAEMUHZJHYOI-OAHLLOKOSA-N 1 0 372.517 2.358 20 30 FEEDRO Cn1cc([C@@H]2NC(=O)CC[C@H]2NC(=O)N2CCC[C@H]2C[NH+]2CCCC2)cn1 ZINC000330108725 554066231 /nfs/dbraw/zinc/06/62/31/554066231.db2.gz NZXOMHFQLHVZEI-JZXOWHBKSA-N 1 0 374.489 2.054 20 30 FEEDRO O=C(NCC1([NH+]2CCSCC2)CCCC1)N[C@H]1CCn2ccnc2C1 ZINC000330168684 554077437 /nfs/dbraw/zinc/07/74/37/554077437.db2.gz AYYJVWKJSCYGED-HNNXBMFYSA-N 1 0 363.531 2.063 20 30 FEEDRO CC(=O)N[C@H](CC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1)c1cccs1 ZINC000330190781 554081195 /nfs/dbraw/zinc/08/11/95/554081195.db2.gz MQUMVXCVEJDESH-JKSUJKDBSA-N 1 0 365.499 2.336 20 30 FEEDRO O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)N[C@H]1CCOC2(CCC2)C1 ZINC000330232573 554089916 /nfs/dbraw/zinc/08/99/16/554089916.db2.gz XLQIBQZEADNVGQ-RDJZCZTQSA-N 1 0 351.491 2.093 20 30 FEEDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NC[C@@H]1Cc2ccccc2O1 ZINC000330239578 554091069 /nfs/dbraw/zinc/09/10/69/554091069.db2.gz DVSHCYKCIREULM-QAPCUYQASA-N 1 0 359.470 2.089 20 30 FEEDRO O=C(C[NH2+][C@@H]1CCO[C@H]1C1CC1)N1CCC(NC(=O)c2ccccc2)CC1 ZINC000330272352 554096943 /nfs/dbraw/zinc/09/69/43/554096943.db2.gz XNBDQMWQKOZCQE-QUCCMNQESA-N 1 0 371.481 2.139 20 30 FEEDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)N[C@@H]1CCO[C@@H](C2CC2)C1 ZINC000330325417 554105379 /nfs/dbraw/zinc/10/53/79/554105379.db2.gz UPLINMHSFSGCKD-QGPMSJSTSA-N 1 0 351.491 2.043 20 30 FEEDRO Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NC(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000330325332 554105622 /nfs/dbraw/zinc/10/56/22/554105622.db2.gz JFVPFAVNNFESNB-SKDZVZGDSA-N 1 0 363.506 2.245 20 30 FEEDRO Cn1cncc1[C@@H]1C[C@H](NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CCO1 ZINC000330336061 554107250 /nfs/dbraw/zinc/10/72/50/554107250.db2.gz SBDDHUTXYFFWNC-CJNGLKHVSA-N 1 0 363.506 2.453 20 30 FEEDRO C[C@H](CC#N)N(C)S(=O)(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000330415216 554118626 /nfs/dbraw/zinc/11/86/26/554118626.db2.gz NJDZAFIFWXGYQG-CVEARBPZSA-N 1 0 364.515 2.280 20 30 FEEDRO CC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1cccc(Br)c1C#N ZINC000330476665 554126041 /nfs/dbraw/zinc/12/60/41/554126041.db2.gz LCLFUMVYRRFZKM-LLVKDONJSA-N 1 0 372.288 2.083 20 30 FEEDRO C[C@H](CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000330510804 554131691 /nfs/dbraw/zinc/13/16/91/554131691.db2.gz DRAKMAHYIINQAI-HUUCEWRRSA-N 1 0 367.515 2.362 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)NCC(C)(C)N2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000330654888 554151536 /nfs/dbraw/zinc/15/15/36/554151536.db2.gz NHEJUQJMLKVATD-IRXDYDNUSA-N 1 0 366.550 2.418 20 30 FEEDRO COc1ccc(NC(=O)N2CCO[C@@H](C[NH+](C)C)C2)c(Br)c1 ZINC000330661439 554152797 /nfs/dbraw/zinc/15/27/97/554152797.db2.gz VPAUKQIJPRBYOU-LBPRGKRZSA-N 1 0 372.263 2.266 20 30 FEEDRO C[N@H+]1CC=C(CNC(=O)Nc2ccc(NS(C)(=O)=O)c(Cl)c2)CC1 ZINC000330689606 554157727 /nfs/dbraw/zinc/15/77/27/554157727.db2.gz PPYXGVDEFSUVGL-UHFFFAOYSA-N 1 0 372.878 2.299 20 30 FEEDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000330707649 554160990 /nfs/dbraw/zinc/16/09/90/554160990.db2.gz MGZVOBIMDTVYOR-HNNXBMFYSA-N 1 0 353.488 2.116 20 30 FEEDRO COC(=O)c1cc(NC(=O)N2CC[NH+](CC(C)(C)O)CC2)cc(C)c1C ZINC000330711439 554161701 /nfs/dbraw/zinc/16/17/01/554161701.db2.gz AJNKDRNTQSPWRX-UHFFFAOYSA-N 1 0 363.458 2.024 20 30 FEEDRO Cc1nscc1C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000330792581 554172198 /nfs/dbraw/zinc/17/21/98/554172198.db2.gz UYDSDDDTNQCUKF-UHFFFAOYSA-N 1 0 352.504 2.383 20 30 FEEDRO CCNC(=O)NC(=O)[C@H](C)[N@H+](C)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000330833244 554176944 /nfs/dbraw/zinc/17/69/44/554176944.db2.gz HMHDPNZLFUFOOX-MAZHCROVSA-N 1 0 351.422 2.416 20 30 FEEDRO C[C@H](C[S@](C)=O)NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000330847730 554178714 /nfs/dbraw/zinc/17/87/14/554178714.db2.gz ORIIMCKPBHNZSO-AFMOOPCPSA-N 1 0 351.516 2.168 20 30 FEEDRO CC(=O)c1ccc(NC(=O)N2CCC([N@H+](C)CCO)CC2)cc1Cl ZINC000330889497 554183672 /nfs/dbraw/zinc/18/36/72/554183672.db2.gz BHKFHAOYWXZCQY-UHFFFAOYSA-N 1 0 353.850 2.477 20 30 FEEDRO CS[C@H]1CN(C(=O)Nc2cccc(OCC(F)F)n2)C[C@H]1[NH+](C)C ZINC000330922224 554189196 /nfs/dbraw/zinc/18/91/96/554189196.db2.gz RBJITWINUYOZEN-MNOVXSKESA-N 1 0 360.430 2.248 20 30 FEEDRO CC(C)NC(=O)NC1(C(=O)NCCC2CC[NH+](C)CC2)CCCCC1 ZINC000330973076 554195793 /nfs/dbraw/zinc/19/57/93/554195793.db2.gz DDPYAXKGPKDMLC-UHFFFAOYSA-N 1 0 352.523 2.449 20 30 FEEDRO C=CCn1c(-c2ccoc2)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000508473860 561763211 /nfs/dbraw/zinc/76/32/11/561763211.db2.gz QKSHEZIKRGVERY-MRXNPFEDSA-N 1 0 357.458 2.273 20 30 FEEDRO C[C@@H]1CN(C(=O)NCCc2cc(F)c(F)c(F)c2)CC[N@@H+]1CC(C)(C)O ZINC000331215953 554232481 /nfs/dbraw/zinc/23/24/81/554232481.db2.gz DIEFEGNMMWHFDB-GFCCVEGCSA-N 1 0 373.419 2.337 20 30 FEEDRO CC(C)C[C@@H]1OCCC[C@@H]1NC(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C ZINC000331238257 554234661 /nfs/dbraw/zinc/23/46/61/554234661.db2.gz NMCYTJMLKMKKFL-ULQDDVLXSA-N 1 0 355.523 2.271 20 30 FEEDRO Cc1nc(C(=O)NC[C@H]2CCCC[N@@H+]2CCO)c(Br)s1 ZINC000331313710 554245820 /nfs/dbraw/zinc/24/58/20/554245820.db2.gz CLQHFKNGCMZCIQ-SNVBAGLBSA-N 1 0 362.293 2.365 20 30 FEEDRO Cn1cc(NC(=O)NC[C@@]2([NH+](C)C)CCSC2)c(C(F)(F)F)n1 ZINC000331334940 554247760 /nfs/dbraw/zinc/24/77/60/554247760.db2.gz XIZYDDDRYURERE-LBPRGKRZSA-N 1 0 351.398 2.202 20 30 FEEDRO C=CCn1c(CC2CC2)nnc1N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000508843386 561774693 /nfs/dbraw/zinc/77/46/93/561774693.db2.gz CEJXAHZHHVHWPI-HDICACEKSA-N 1 0 372.561 2.411 20 30 FEEDRO C=CCn1c(-c2ccoc2)nnc1N1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000508880220 561776529 /nfs/dbraw/zinc/77/65/29/561776529.db2.gz KGDKMOTWVMLDBQ-OAHLLOKOSA-N 1 0 357.458 2.414 20 30 FEEDRO CS[C@@H]1CN(C(=O)[C@H](C)Oc2ccc(C#N)cc2)C[C@H]1[NH+]1CCCC1 ZINC000331543525 554282833 /nfs/dbraw/zinc/28/28/33/554282833.db2.gz IFGRIUZATLCPQT-BMGDILEWSA-N 1 0 359.495 2.364 20 30 FEEDRO CC[NH+](CC)[C@H](CNS(=O)(=O)N(C)[C@@H](C)CC#N)Cc1ccccc1 ZINC000509420939 561798768 /nfs/dbraw/zinc/79/87/68/561798768.db2.gz YSURTONXBIHKAG-WMZOPIPTSA-N 1 0 366.531 2.008 20 30 FEEDRO N#Cc1cccc(NCC(=O)NCC2([NH+]3CCOCC3)CCCCC2)c1 ZINC000510015216 561821876 /nfs/dbraw/zinc/82/18/76/561821876.db2.gz RGVYSVSMLQADNH-UHFFFAOYSA-N 1 0 356.470 2.121 20 30 FEEDRO C[NH+](C)CC1(C(=O)N2CCN(c3ccc(C#N)cn3)CC2)CCCCC1 ZINC000332383305 554435569 /nfs/dbraw/zinc/43/55/69/554435569.db2.gz HSLDLFCPVORLAE-UHFFFAOYSA-N 1 0 355.486 2.114 20 30 FEEDRO C=CCN1CC[C@H](N(C)C(=O)CN(CC)Cc2ccccc2Cl)C1=O ZINC000509954375 561819782 /nfs/dbraw/zinc/81/97/82/561819782.db2.gz UVSWXVYJDJFMGQ-KRWDZBQOSA-N 1 0 363.889 2.407 20 30 FEEDRO CC[N@@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1)C[C@H](C)O ZINC000510077377 561824079 /nfs/dbraw/zinc/82/40/79/561824079.db2.gz COZCNYMRQQIUDJ-ZDUSSCGKSA-N 1 0 358.442 2.259 20 30 FEEDRO COc1ccccc1[C@H](CNC(=O)N=c1[nH]n(C)cc1C#N)[NH+]1CCCC1 ZINC000610561300 554528703 /nfs/dbraw/zinc/52/87/03/554528703.db2.gz IEFLWOBTBQOECW-INIZCTEOSA-N 1 0 368.441 2.259 20 30 FEEDRO CS[C@H]1CN(S(=O)(=O)CC2(C#N)CCCCC2)C[C@H]1[NH+]1CCCC1 ZINC000333074897 554568395 /nfs/dbraw/zinc/56/83/95/554568395.db2.gz DGANZCVAIZQEER-CVEARBPZSA-N 1 0 371.572 2.302 20 30 FEEDRO N#Cc1ccccc1NC(=O)CC[N@@H+]1CC[C@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000333199519 554587905 /nfs/dbraw/zinc/58/79/05/554587905.db2.gz XGDJOSOAVZDEGH-LPHOPBHVSA-N 1 0 366.465 2.362 20 30 FEEDRO C[NH+](C)C1CCN(C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CC1 ZINC000611600290 554652609 /nfs/dbraw/zinc/65/26/09/554652609.db2.gz ZRMHNXMDYSDJND-UHFFFAOYSA-N 1 0 356.405 2.441 20 30 FEEDRO N#Cc1cccc(OC2CCN(C(=O)N[C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)CC2)c1 ZINC000333924876 554656868 /nfs/dbraw/zinc/65/68/68/554656868.db2.gz TZXIFDCIEKYDIW-RCCFBDPRSA-N 1 0 368.481 2.499 20 30 FEEDRO C=C(C)CN(CC)C(=O)C[N@@H+]1CCC[C@@H](CNC(=O)CC(F)(F)F)C1 ZINC000510922653 561851025 /nfs/dbraw/zinc/85/10/25/561851025.db2.gz UDFYUJAHBJVQDN-AWEZNQCLSA-N 1 0 363.424 2.192 20 30 FEEDRO C=CCOC[C@H]1NC(=O)N(C[C@]2(C)CCC[N@@H+]2Cc2ccccc2)C1=O ZINC000348391853 554683813 /nfs/dbraw/zinc/68/38/13/554683813.db2.gz RBHBICAESHCREQ-XLIONFOSSA-N 1 0 357.454 2.164 20 30 FEEDRO C=CCOC[C@@H]1NC(=O)N(C2CC[NH+]([C@H](C)c3ccccc3)CC2)C1=O ZINC000348506053 554687579 /nfs/dbraw/zinc/68/75/79/554687579.db2.gz JRTVDCZHMIQHMD-QAPCUYQASA-N 1 0 357.454 2.335 20 30 FEEDRO C=CCNC(=O)Cc1noc([C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2C(F)(F)F)n1 ZINC000350527321 554795376 /nfs/dbraw/zinc/79/53/76/554795376.db2.gz OLIXOQATUWPBOT-GHMZBOCLSA-N 1 0 360.380 2.291 20 30 FEEDRO CCCN(CC[NH+]1CCCC1)S(=O)(=O)Cc1cc(C#N)ccc1F ZINC000511312318 561864770 /nfs/dbraw/zinc/86/47/70/561864770.db2.gz BNQIEDAKBLZDBB-UHFFFAOYSA-N 1 0 353.463 2.335 20 30 FEEDRO CCCN(CC[NH+]1CCCC1)S(=O)(=O)c1ccc(C#N)cc1OC ZINC000511346422 561866283 /nfs/dbraw/zinc/86/62/83/561866283.db2.gz UTXQZVCEHVTSCV-UHFFFAOYSA-N 1 0 351.472 2.063 20 30 FEEDRO CC(=O)Nc1cccc2c1CCN(CC(=O)NCc1cccc(C#N)c1)C2 ZINC000360112717 554863174 /nfs/dbraw/zinc/86/31/74/554863174.db2.gz NRIUBYFHFKKDMH-UHFFFAOYSA-N 1 0 362.433 2.191 20 30 FEEDRO Cn1cc(C[NH+]2CCC3(CCOC3=O)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000360669974 554884516 /nfs/dbraw/zinc/88/45/16/554884516.db2.gz GGQXNWHGHLUWNY-UHFFFAOYSA-N 1 0 350.422 2.488 20 30 FEEDRO Cn1cc([C@H]2[C@H](CNC(=O)c3ccc(CC#N)cc3)CCC[N@@H+]2C)cn1 ZINC000362167623 554954207 /nfs/dbraw/zinc/95/42/07/554954207.db2.gz WEPKHVNBACXNHX-PKOBYXMFSA-N 1 0 351.454 2.299 20 30 FEEDRO COC(=O)c1ccoc1CC1CC[NH+]([C@@H](C)C(=O)N(C)CCC#N)CC1 ZINC000362660402 554979398 /nfs/dbraw/zinc/97/93/98/554979398.db2.gz XSSDVIMXPKUZGP-AWEZNQCLSA-N 1 0 361.442 2.081 20 30 FEEDRO C=C(C)CN(CC)C(=O)[C@H](C)N1CCCN(C(=O)c2ccccn2)CC1 ZINC000363004970 555007863 /nfs/dbraw/zinc/00/78/63/555007863.db2.gz PILUXXZGDYFTGC-KRWDZBQOSA-N 1 0 358.486 2.043 20 30 FEEDRO C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1CC(=O)N(CCC#N)CCC#N ZINC000363135504 555038043 /nfs/dbraw/zinc/03/80/43/555038043.db2.gz VQOJRXCOFNWNDB-LJQANCHMSA-N 1 0 367.497 2.239 20 30 FEEDRO C=CCN(CC(=O)NCc1cccnc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000363184553 555048193 /nfs/dbraw/zinc/04/81/93/555048193.db2.gz ATMMFNLMYSRARM-NRFANRHFSA-N 1 0 364.493 2.460 20 30 FEEDRO C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CCCN(C(=O)C(C)(C)C)CC1 ZINC000363230279 555059392 /nfs/dbraw/zinc/05/93/92/555059392.db2.gz GEFLOCXQKNTJHV-INIZCTEOSA-N 1 0 362.518 2.298 20 30 FEEDRO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1NCc1cnc2ccc(C#N)cn12 ZINC000363236020 555060846 /nfs/dbraw/zinc/06/08/46/555060846.db2.gz IYQMEYVEJXOKOI-AYOQOUSVSA-N 1 0 353.470 2.185 20 30 FEEDRO N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000363336485 555080599 /nfs/dbraw/zinc/08/05/99/555080599.db2.gz FTRDEGXKJFBOPD-CQSZACIVSA-N 1 0 373.400 2.436 20 30 FEEDRO C=CCc1cc(C[NH2+][C@H]2CCCc3c2cnn3CCO)cc(OC)c1O ZINC000363411985 555099255 /nfs/dbraw/zinc/09/92/55/555099255.db2.gz NQBVMCJXRRGVJT-KRWDZBQOSA-N 1 0 357.454 2.485 20 30 FEEDRO C#CCNC(=O)C1CC[NH+]([C@@H]2CCCN(c3ccc(F)cc3C)C2=O)CC1 ZINC000363547178 555133769 /nfs/dbraw/zinc/13/37/69/555133769.db2.gz RCVJZVHPWDMULP-LJQANCHMSA-N 1 0 371.456 2.091 20 30 FEEDRO C=CCNC(=O)c1ccc(N[C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@@H]2C)nc1 ZINC000363584800 555141866 /nfs/dbraw/zinc/14/18/66/555141866.db2.gz CMMVXQHXPMUREO-RYQLBKOJSA-N 1 0 358.486 2.299 20 30 FEEDRO C=CCNC(=O)c1ccc(N[C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@@H]2C)nc1 ZINC000363584798 555141907 /nfs/dbraw/zinc/14/19/07/555141907.db2.gz CMMVXQHXPMUREO-CGTJXYLNSA-N 1 0 358.486 2.299 20 30 FEEDRO N#Cc1ccc([C@@H](O)C[N@@H+]2CCC[C@@H](C(=O)Nc3ccccn3)C2)cc1 ZINC000363858138 555200624 /nfs/dbraw/zinc/20/06/24/555200624.db2.gz QYXFNFOIUSSFJY-MSOLQXFVSA-N 1 0 350.422 2.337 20 30 FEEDRO C#CCN(C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1)C1CCCC1 ZINC000363956748 555221504 /nfs/dbraw/zinc/22/15/04/555221504.db2.gz CUPROMHRCATXHB-QFBILLFUSA-N 1 0 357.502 2.390 20 30 FEEDRO CN(C(=O)[C@@H]1CC12CC[NH+](Cc1cnc3ccc(C#N)cn13)CC2)C1CC1 ZINC000364032116 555236674 /nfs/dbraw/zinc/23/66/74/555236674.db2.gz HQUNHIZQNKVFQD-SFHVURJKSA-N 1 0 363.465 2.429 20 30 FEEDRO Cc1cccc(S(=O)(=O)N2C[C@@H]([NH3+])[C@@H](c3ccc(F)cc3)C2)c1C#N ZINC000364291715 555286033 /nfs/dbraw/zinc/28/60/33/555286033.db2.gz OXSTVYCIIXIDJL-IAGOWNOFSA-N 1 0 359.426 2.121 20 30 FEEDRO C#CCOc1ccccc1NC(=O)N1CCC[N@@H+](C2CCOCC2)CC1 ZINC000364322492 555291201 /nfs/dbraw/zinc/29/12/01/555291201.db2.gz FNSOIEJGLYEDOH-UHFFFAOYSA-N 1 0 357.454 2.417 20 30 FEEDRO C[C@H](NC(=O)[C@H]1CCC(=O)N1Cc1cccc(C#N)c1)C(C)(C)C[NH+](C)C ZINC000364517228 555327950 /nfs/dbraw/zinc/32/79/50/555327950.db2.gz ITMIDMWUNFUXFT-MAUKXSAKSA-N 1 0 370.497 2.142 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)NCCc2coc(-c3ccc(F)cc3)n2)CC1 ZINC000364664064 555367462 /nfs/dbraw/zinc/36/74/62/555367462.db2.gz SPJMJPNRTHATNF-UHFFFAOYSA-N 1 0 355.413 2.485 20 30 FEEDRO Cc1ncc(CN2CC[C@H]([NH2+][C@@H](C)C(=O)N(C)CCC#N)[C@@H](C)C2)s1 ZINC000364920499 555437654 /nfs/dbraw/zinc/43/76/54/555437654.db2.gz ZEQQSNIUPXPXFE-ZQIUZPCESA-N 1 0 363.531 2.012 20 30 FEEDRO CCCC[C@H](ON=C(C)C)C(=O)N1CCC[C@@H](C[NH+]2CCN(C)CC2)C1 ZINC000364922863 555438864 /nfs/dbraw/zinc/43/88/64/555438864.db2.gz WOCOFWZMYZIVDB-OALUTQOASA-N 1 0 366.550 2.444 20 30 FEEDRO CC[NH+](CC)C[C@@H](C)NC(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 ZINC000512605820 561910100 /nfs/dbraw/zinc/91/01/00/561910100.db2.gz IFBNTRMYKDORAA-IEBWSBKVSA-N 1 0 357.502 2.136 20 30 FEEDRO N#Cc1cccc(CN2C(=O)CC[C@H]2C(=O)NCCC[NH+]2CCCCC2)c1 ZINC000365025396 555467602 /nfs/dbraw/zinc/46/76/02/555467602.db2.gz HDQLLAYGFRFBBO-IBGZPJMESA-N 1 0 368.481 2.041 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N(C)C2CCN(c3cnccn3)CC2)CC1 ZINC000365169972 555500993 /nfs/dbraw/zinc/50/09/93/555500993.db2.gz IGUZSTWJWZGUJS-UHFFFAOYSA-N 1 0 372.517 2.127 20 30 FEEDRO N#Cc1cc(NC(=O)C(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)ccc1Cl ZINC000365543265 555604296 /nfs/dbraw/zinc/60/42/96/555604296.db2.gz BNMNGHXMYPZUSO-LXZKKBNFSA-N 1 0 372.856 2.093 20 30 FEEDRO C[NH+](C)C1(CNC(=O)Cc2c(F)cccc2C#N)Cc2ccccc2C1 ZINC000513282105 561932035 /nfs/dbraw/zinc/93/20/35/561932035.db2.gz WDVPBKTZPHPSTD-UHFFFAOYSA-N 1 0 351.425 2.455 20 30 FEEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1CCCc2nccn21 ZINC000365886978 555692895 /nfs/dbraw/zinc/69/28/95/555692895.db2.gz SFIDMLDUHLTVQI-SFHVURJKSA-N 1 0 351.454 2.223 20 30 FEEDRO N#Cc1ccc(-n2ccc(NC(=O)C3CC[NH+](C4CC4)CC3)n2)c(F)c1 ZINC000365977360 555716265 /nfs/dbraw/zinc/71/62/65/555716265.db2.gz RAMZJMFTEGPSSW-UHFFFAOYSA-N 1 0 353.401 2.696 20 30 FEEDRO C[C@H](C(=O)N[C@@H](C)c1ccccc1)[NH+]1CCC(n2cnc(C#N)n2)CC1 ZINC000366379949 555827429 /nfs/dbraw/zinc/82/74/29/555827429.db2.gz GKMKAKYDQRAUAB-LSDHHAIUSA-N 1 0 352.442 2.053 20 30 FEEDRO N#Cc1ccsc1NC(=O)CC[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000366427514 555840637 /nfs/dbraw/zinc/84/06/37/555840637.db2.gz CNWRDSZPYRKEPS-HNNXBMFYSA-N 1 0 367.434 2.368 20 30 FEEDRO CC[NH+](CC)CCSCC(=O)Nc1ccccc1-n1cnc(C#N)n1 ZINC000366469630 555852670 /nfs/dbraw/zinc/85/26/70/555852670.db2.gz WQEOWEHEMCGFIM-UHFFFAOYSA-N 1 0 358.471 2.152 20 30 FEEDRO C=CCN1CC[C@H](N(C)CC(=O)N2CCc3sccc3[C@@H]2CC)C1=O ZINC000366873499 555957117 /nfs/dbraw/zinc/95/71/17/555957117.db2.gz ZVJTUUVPSYQURV-HOTGVXAUSA-N 1 0 361.511 2.303 20 30 FEEDRO C=CCN1CC[C@H]([NH+]2CCC3(C[C@H]3c3nnc4n3CCCCC4)CC2)C1=O ZINC000367181772 556003147 /nfs/dbraw/zinc/00/31/47/556003147.db2.gz SLJAFXCQJHGZSQ-IRXDYDNUSA-N 1 0 369.513 2.361 20 30 FEEDRO C[C@@H]1CN(c2nc3cc(Cl)ccn3c2C#N)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000367436890 556048389 /nfs/dbraw/zinc/04/83/89/556048389.db2.gz TVVGIJAWFBRXHI-ZBFHGGJFSA-N 1 0 372.904 2.322 20 30 FEEDRO C=CC[C@H](CO)C[NH2+]Cc1cn(-c2ccccc2Br)nn1 ZINC000514723896 561976248 /nfs/dbraw/zinc/97/62/48/561976248.db2.gz YWHMHWGCZJQHTA-LBPRGKRZSA-N 1 0 351.248 2.304 20 30 FEEDRO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1cccc(-c2cnn(C)c2)c1 ZINC000367546791 556079854 /nfs/dbraw/zinc/07/98/54/556079854.db2.gz MZBQVYYURMZVSD-INIZCTEOSA-N 1 0 373.464 2.459 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2CCC[C@@H]3C[NH2+]CCC[C@H]32)c(Cl)c1 ZINC000367689674 556115259 /nfs/dbraw/zinc/11/52/59/556115259.db2.gz QCJSFEDYAKBEBT-UKRRQHHQSA-N 1 0 353.875 2.364 20 30 FEEDRO C[N@@H+]1C[C@@H]2CN(S(=O)(=O)CCC(C)(C)C#N)C[C@H]2[C@@H]1c1ccccc1 ZINC000367708602 556120062 /nfs/dbraw/zinc/12/00/62/556120062.db2.gz VFRYSNKGNLUDBW-KURKYZTESA-N 1 0 361.511 2.491 20 30 FEEDRO N#Cc1ccc(N2CCC[C@H](N3CC[NH+]([C@@H]4CCSC4)CC3)C2=O)cc1 ZINC000367918758 556172329 /nfs/dbraw/zinc/17/23/29/556172329.db2.gz SFSPUVGGUQITPU-MOPGFXCFSA-N 1 0 370.522 2.177 20 30 FEEDRO N#Cc1ccc(N2CCC[C@H](N3CC[NH+]([C@H]4CCSC4)CC3)C2=O)cc1 ZINC000367918761 556172374 /nfs/dbraw/zinc/17/23/74/556172374.db2.gz SFSPUVGGUQITPU-OALUTQOASA-N 1 0 370.522 2.177 20 30 FEEDRO Cc1cc(N(CCC#N)C(=O)C[N@@H+]2CC[C@H](CC(N)=O)C2)ccc1Cl ZINC000367982843 556186997 /nfs/dbraw/zinc/18/69/97/556186997.db2.gz LSRVWXKCARIWJE-CQSZACIVSA-N 1 0 362.861 2.092 20 30 FEEDRO N#CCCCC[NH+]1CCN([C@H]2CCCN(Cc3ccccc3)C2=O)CC1 ZINC000367981471 556187330 /nfs/dbraw/zinc/18/73/30/556187330.db2.gz JUPDQAILOZXOJM-FQEVSTJZSA-N 1 0 354.498 2.489 20 30 FEEDRO N#Cc1c(F)ccc(C[NH2+][C@@H]2CCC(=O)N[C@@H]2[C@@H]2CCCO2)c1Cl ZINC000368082776 556213512 /nfs/dbraw/zinc/21/35/12/556213512.db2.gz ZOYLSXKUYBBGDH-KEYYUXOJSA-N 1 0 351.809 2.267 20 30 FEEDRO C=CCN(C(=O)NCCc1nc(C)no1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000368437578 556309292 /nfs/dbraw/zinc/30/92/92/556309292.db2.gz VLUHTLGOJFTUBH-SFHVURJKSA-N 1 0 369.469 2.393 20 30 FEEDRO N#CCCN(C(=O)CN1CCCC[C@H]1C(=[NH2+])NO)c1cccc(Cl)c1 ZINC000368523272 556334908 /nfs/dbraw/zinc/33/49/08/556334908.db2.gz DQRXYOVOWSUQQC-HNNXBMFYSA-N 1 0 363.849 2.397 20 30 FEEDRO N#CC[C@@H]1C[C@H]2[C@@H](CCC[C@H]2[NH2+]C[C@@H](N2CCOCC2)C(F)(F)F)O1 ZINC000368617888 556364512 /nfs/dbraw/zinc/36/45/12/556364512.db2.gz YPBIONSYVCSOPD-OXGONZEZSA-N 1 0 361.408 2.079 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N2CCC[C@H](C(=O)N3CCCCC3)C2)CC1 ZINC000369073235 556497529 /nfs/dbraw/zinc/49/75/29/556497529.db2.gz GWOMXWIFBRDCRL-KRWDZBQOSA-N 1 0 362.518 2.071 20 30 FEEDRO CCC[NH+]1CCN(C2CCN(C(=O)c3cccc(CC#N)c3)CC2)CC1 ZINC000369152815 556517916 /nfs/dbraw/zinc/51/79/16/556517916.db2.gz ALUYMFSRBUCGME-UHFFFAOYSA-N 1 0 354.498 2.385 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)s1 ZINC000369179546 556527398 /nfs/dbraw/zinc/52/73/98/556527398.db2.gz SXCREYVYZCJENQ-SWLSCSKDSA-N 1 0 351.497 2.257 20 30 FEEDRO CC(=O)c1ccc(NC(=O)CC[NH+]2CCC(n3cnc(C#N)n3)CC2)cc1 ZINC000369311538 556571961 /nfs/dbraw/zinc/57/19/61/556571961.db2.gz HNGLIAAWGMUVKU-UHFFFAOYSA-N 1 0 366.425 2.018 20 30 FEEDRO CN1CC[NH+](CC2(C)CCN(c3ccc(C#N)cc3[N+](=O)[O-])CC2)CC1 ZINC000369400499 556591353 /nfs/dbraw/zinc/59/13/53/556591353.db2.gz XLLRFICYVXNAHD-UHFFFAOYSA-N 1 0 357.458 2.320 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N2CCC[C@@H]2[C@@H]2CCCN2C(=O)CC)CC1 ZINC000369403713 556592485 /nfs/dbraw/zinc/59/24/85/556592485.db2.gz WGXNXHSPKADGJD-ZWKOTPCHSA-N 1 0 362.518 2.212 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC(OC3CCOCC3)CC2)CC1 ZINC000369605505 556645365 /nfs/dbraw/zinc/64/53/65/556645365.db2.gz LFQLPEBKFPJHMY-UHFFFAOYSA-N 1 0 365.518 2.397 20 30 FEEDRO CCOc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H](C)[N@@H+]1CCCC[C@H]1C ZINC000516306737 562039349 /nfs/dbraw/zinc/03/93/49/562039349.db2.gz UNLCNXZCOITINF-HUUCEWRRSA-N 1 0 372.469 2.275 20 30 FEEDRO C[N@@H+]1C[C@@H]2CN(S(=O)(=O)c3ccc(C#N)cc3)C[C@@H]2[C@H]1c1ccccc1 ZINC000369677308 556665813 /nfs/dbraw/zinc/66/58/13/556665813.db2.gz DVGMLZXGUHUZMJ-YZGWKJHDSA-N 1 0 367.474 2.482 20 30 FEEDRO Cc1cc(=NC(=O)NC2CC[NH+](Cc3ccsc3)CC2)[nH]n1CCC#N ZINC000369850683 556711704 /nfs/dbraw/zinc/71/17/04/556711704.db2.gz HDFOGUPHDNNXME-UHFFFAOYSA-N 1 0 372.498 2.953 20 30 FEEDRO CC(C)S(=O)(=O)N1CCC([NH2+][C@@H]2CCC[C@@H]3O[C@H](CC#N)C[C@@H]32)CC1 ZINC000369853888 556713001 /nfs/dbraw/zinc/71/30/01/556713001.db2.gz SPNXPYIJDCPOJO-TVFCKZIOSA-N 1 0 369.531 2.018 20 30 FEEDRO C[C@H]1C[C@@H](N(C)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CC[N@@H+]1C ZINC000369859240 556714068 /nfs/dbraw/zinc/71/40/68/556714068.db2.gz AFIUAKXDZKPIJW-YJBOKZPZSA-N 1 0 370.501 2.046 20 30 FEEDRO CC(C)(C)OC(=O)[C@@]12CCC[C@H]1C[N@H+](C[C@H]1CNc3c(C#N)cnn3C1)C2 ZINC000516468591 562044002 /nfs/dbraw/zinc/04/40/02/562044002.db2.gz ZKEXUDQISMVKCL-PTSWNOGYSA-N 1 0 371.485 2.240 20 30 FEEDRO Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N3CCC[C@@H]([NH+](C)C)C3)C2)n1 ZINC000369935751 556734835 /nfs/dbraw/zinc/73/48/35/556734835.db2.gz JIWYRLADANLQNL-QZTJIDSGSA-N 1 0 355.486 2.031 20 30 FEEDRO Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)NC[C@H](C)[N@H+](C)C3CC3)C2)n1 ZINC000369938360 556735904 /nfs/dbraw/zinc/73/59/04/556735904.db2.gz UOERWBSKPGCXHK-DOTOQJQBSA-N 1 0 355.486 2.077 20 30 FEEDRO C=CCC[C@@H](C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)c1ccccc1 ZINC000369956481 556741153 /nfs/dbraw/zinc/74/11/53/556741153.db2.gz BZTBIEGWFYGIRJ-NHCUHLMSSA-N 1 0 371.525 2.259 20 30 FEEDRO N#Cc1ccc(NC(=O)CC[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1 ZINC000370062038 556770818 /nfs/dbraw/zinc/77/08/18/556770818.db2.gz XCZKKVKMTGBBBE-UHFFFAOYSA-N 1 0 368.397 2.329 20 30 FEEDRO N#Cc1ccc2ncc(CN3CCS(=O)(=O)C[C@@H]3c3ccccc3)n2c1 ZINC000370232787 556817903 /nfs/dbraw/zinc/81/79/03/556817903.db2.gz YUVNNHIAWAQSEK-GOSISDBHSA-N 1 0 366.446 2.178 20 30 FEEDRO CN(C)C(=O)c1ccc(C[NH2+][C@H]2CCCN(c3ccc(C#N)cc3F)C2)[nH]1 ZINC000370256292 556822950 /nfs/dbraw/zinc/82/29/50/556822950.db2.gz MGWPIIRKEPYBPJ-INIZCTEOSA-N 1 0 369.444 2.486 20 30 FEEDRO CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[N@H+](CC(C)C)CC1 ZINC000370478743 556884866 /nfs/dbraw/zinc/88/48/66/556884866.db2.gz WTYXILDDFYBRID-UHFFFAOYSA-N 1 0 372.469 2.086 20 30 FEEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@@H]2CCN(C(=O)c3cccnc3)C2)cc1 ZINC000370521877 556898522 /nfs/dbraw/zinc/89/85/22/556898522.db2.gz IWOXKVPUPOLJMA-CRAIPNDOSA-N 1 0 350.422 2.377 20 30 FEEDRO CN(CCC#N)c1ccc(C[NH2+][C@@H]2CCN(C(=O)c3cccnc3)C2)cc1 ZINC000370522528 556899100 /nfs/dbraw/zinc/89/91/00/556899100.db2.gz LUVHTILPAONKDN-LJQANCHMSA-N 1 0 363.465 2.436 20 30 FEEDRO N#Cc1ccc(OC2CCC(NC(=O)N[C@@H]3CC[C@@H](C[NH3+])C3)CC2)nc1 ZINC000516857348 562060655 /nfs/dbraw/zinc/06/06/55/562060655.db2.gz ZEQZLUPXHLBYOS-CRYBEJKASA-N 1 0 357.458 2.070 20 30 FEEDRO CCOC(=O)c1cccc(OC[C@H](O)C[NH2+]Cc2ccc(C#N)c(F)c2)c1 ZINC000516965572 562068195 /nfs/dbraw/zinc/06/81/95/562068195.db2.gz BTGIEGPLHOJCDF-QGZVFWFLSA-N 1 0 372.396 2.404 20 30 FEEDRO C[NH+]1CCC([C@@H]2CCN(C(=O)NCCOc3ccc(C#N)cc3)C2)CC1 ZINC000371042173 557055798 /nfs/dbraw/zinc/05/57/98/557055798.db2.gz GXNHQPIKQFVZIH-GOSISDBHSA-N 1 0 356.470 2.310 20 30 FEEDRO CN(CCC#N)C[C@@H](O)C[NH2+]Cc1ccnc(Oc2ccc(F)cc2)c1 ZINC000517127498 562076738 /nfs/dbraw/zinc/07/67/38/562076738.db2.gz MVIBGGDYIIFHGG-KRWDZBQOSA-N 1 0 358.417 2.309 20 30 FEEDRO C#CC[C@@H](C)NC(=O)N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000371057751 557061033 /nfs/dbraw/zinc/06/10/33/557061033.db2.gz XLXUDXZQKBEPAS-MOPGFXCFSA-N 1 0 369.513 2.037 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)CC1 ZINC000371288637 557132662 /nfs/dbraw/zinc/13/26/62/557132662.db2.gz ZQDKJSCRDVTUDG-LJQANCHMSA-N 1 0 354.454 2.292 20 30 FEEDRO C=CCN(C(=O)c1nnn(-c2cccc3c2CC[N@@H+](C)C3)c1C)C1CC1 ZINC000371387419 557170365 /nfs/dbraw/zinc/17/03/65/557170365.db2.gz IMKRFMYFQPLHMF-UHFFFAOYSA-N 1 0 351.454 2.354 20 30 FEEDRO N#C[C@H]1CN(Cc2c[nH]nc2-c2cccnc2)C[C@@]12C(=O)Nc1ccccc12 ZINC000371465926 557190143 /nfs/dbraw/zinc/19/01/43/557190143.db2.gz JNEQBGFMGHDCTG-HRAATJIYSA-N 1 0 370.416 2.317 20 30 FEEDRO CC(C)[NH+]1CCN([C@H]2CCN(C(=O)c3ccc(C4(C#N)CC4)cc3)C2)CC1 ZINC000371558728 557222072 /nfs/dbraw/zinc/22/20/72/557222072.db2.gz BEHATCLKMLPFID-FQEVSTJZSA-N 1 0 366.509 2.482 20 30 FEEDRO Cn1nccc1Cn1c2c(cc(C#N)c1=O)C[N@@H+](Cc1ccccc1)CC2 ZINC000518564197 562114477 /nfs/dbraw/zinc/11/44/77/562114477.db2.gz KHYVBTXSPPWGGZ-UHFFFAOYSA-N 1 0 359.433 2.060 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)NC[C@H](c2ccccc2OC)N(C)C)CC1 ZINC000519292815 562128705 /nfs/dbraw/zinc/12/87/05/562128705.db2.gz JCNAQJXFZHVFRX-GOSISDBHSA-N 1 0 360.502 2.248 20 30 FEEDRO C=CCN(C(=O)c1ccc(C(N)=O)nc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000372602685 557517597 /nfs/dbraw/zinc/51/75/97/557517597.db2.gz WQMKAZFRRCKMCS-GOSISDBHSA-N 1 0 364.449 2.083 20 30 FEEDRO N#Cc1ccc([C@@H](O)C[NH+]2CCC(C(=O)Nc3ccccn3)CC2)cc1 ZINC000372809117 557566017 /nfs/dbraw/zinc/56/60/17/557566017.db2.gz WPMSNHNNZFXJSO-SFHVURJKSA-N 1 0 350.422 2.337 20 30 FEEDRO C=CCN(C(=O)c1cccc(=O)n1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000372878466 557581005 /nfs/dbraw/zinc/58/10/05/557581005.db2.gz GSBHXBVCADWMSA-GOSISDBHSA-N 1 0 351.450 2.288 20 30 FEEDRO CN(Cc1nccc(N)n1)[C@@H]1CCN(Cc2ccc(F)c(C#N)c2Cl)C1 ZINC000373023996 557611982 /nfs/dbraw/zinc/61/19/82/557611982.db2.gz BOZYQPAHOKATJT-CYBMUJFWSA-N 1 0 374.851 2.429 20 30 FEEDRO N#Cc1ncn(C2CC[NH+](CCC(=O)NCc3ccccc3Cl)CC2)n1 ZINC000373415603 557689494 /nfs/dbraw/zinc/68/94/94/557689494.db2.gz ZQCRSTMHPSWRGG-UHFFFAOYSA-N 1 0 372.860 2.147 20 30 FEEDRO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000373866809 557776701 /nfs/dbraw/zinc/77/67/01/557776701.db2.gz NMPOMJHURJVCLN-RHSMWYFYSA-N 1 0 370.540 2.472 20 30 FEEDRO C=CC[C@H](CO)[NH2+]C[C@H](O)COc1ccc(Cl)cc1Br ZINC000520812810 562164368 /nfs/dbraw/zinc/16/43/68/562164368.db2.gz FSEJGQPJSABNBE-NEPJUHHUSA-N 1 0 364.667 2.369 20 30 FEEDRO C=CCN1CC[C@H]([N@@H+](C)[C@@H]2CCN(c3cc(OC)cc(OC)c3)C2)C1=O ZINC000374109856 557825154 /nfs/dbraw/zinc/82/51/54/557825154.db2.gz URHXHSLMQTYVPU-BEFAXECRSA-N 1 0 359.470 2.001 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+]C[C@H]1CN(C2CC2)CCO1 ZINC000374222362 557845645 /nfs/dbraw/zinc/84/56/45/557845645.db2.gz KPFGSLRWCZHTMD-RDJZCZTQSA-N 1 0 363.527 2.104 20 30 FEEDRO Cn1cc([C@H](O)C[C@H]2CCC[N@@H+]2Cc2cnc3ccc(C#N)cn23)cn1 ZINC000374259177 557852955 /nfs/dbraw/zinc/85/29/55/557852955.db2.gz ZKJJGIXCAZLHPO-SJLPKXTDSA-N 1 0 350.426 2.028 20 30 FEEDRO C[C@@H]1C[C@@H](CNS(=O)(=O)c2cccnc2C#N)C[N@@H+]1Cc1ccccc1 ZINC000375440150 558027778 /nfs/dbraw/zinc/02/77/78/558027778.db2.gz YLRPOVXZKUUUTA-WBVHZDCISA-N 1 0 370.478 2.142 20 30 FEEDRO C=CCN1CC[C@H](N(C)C(=O)NC2CC[NH+](C3CCCCC3)CC2)C1=O ZINC000375645389 558061435 /nfs/dbraw/zinc/06/14/35/558061435.db2.gz RVDWVISCMNXJJL-SFHVURJKSA-N 1 0 362.518 2.212 20 30 FEEDRO COc1ccccc1N1CC[C@H](C)[N@H+](CCC(=O)N(C)CCC#N)CC1 ZINC000375673508 558065391 /nfs/dbraw/zinc/06/53/91/558065391.db2.gz GHNZVWNLIFSFJQ-KRWDZBQOSA-N 1 0 358.486 2.358 20 30 FEEDRO CCN(CCC#N)C(=O)C[N@@H+]1CCN(c2ccccc2OC)CC[C@H]1C ZINC000375672431 558065565 /nfs/dbraw/zinc/06/55/65/558065565.db2.gz MVABHPDUIYHFBY-QGZVFWFLSA-N 1 0 358.486 2.358 20 30 FEEDRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)c3ccc(C(C)(C)C#N)cc3)CC2)C1 ZINC000375694419 558068692 /nfs/dbraw/zinc/06/86/92/558068692.db2.gz XFJHVKZKBYJBQA-IBGZPJMESA-N 1 0 354.498 2.340 20 30 FEEDRO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCC[C@H](c2ccnc(COC)n2)C1 ZINC000375759867 558078539 /nfs/dbraw/zinc/07/85/39/558078539.db2.gz PKNMZIKBYZEHLT-IRXDYDNUSA-N 1 0 358.486 2.392 20 30 FEEDRO C[NH+]1CCC(C#N)(NC(=O)CCc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000521603030 562179980 /nfs/dbraw/zinc/17/99/80/562179980.db2.gz MKUVEQAOAAALSK-UHFFFAOYSA-N 1 0 373.844 2.427 20 30 FEEDRO CN1CC[NH+](C[C@H]2CCCN(c3nc4cc(Cl)ccn4c3C#N)C2)CC1 ZINC000376188041 558138600 /nfs/dbraw/zinc/13/86/00/558138600.db2.gz OOTOLTVYZTWHHQ-OAHLLOKOSA-N 1 0 372.904 2.323 20 30 FEEDRO COC(=O)[C@@H](NC[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)c1cccc(C#N)c1 ZINC000376691140 558209314 /nfs/dbraw/zinc/20/93/14/558209314.db2.gz RNZJHLCJVNYGGU-UFYCRDLUSA-N 1 0 364.449 2.450 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N2C[C@@H](CC)O[C@@]3(CCOC3)C2)CC1 ZINC000377075204 558260805 /nfs/dbraw/zinc/26/08/05/558260805.db2.gz XRONSJPFMRRLDU-MJGOQNOKSA-N 1 0 351.491 2.006 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N2CCc3cc(OC)c(OC)cc3CC2)CC1 ZINC000377576356 558369114 /nfs/dbraw/zinc/36/91/14/558369114.db2.gz XYKYUCPOXUPHNJ-UHFFFAOYSA-N 1 0 373.497 2.464 20 30 FEEDRO COCCC[N@H+](C)CCNC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000377881075 558440940 /nfs/dbraw/zinc/44/09/40/558440940.db2.gz USDBDFDFQSXYJI-OALUTQOASA-N 1 0 358.486 2.436 20 30 FEEDRO COC(=O)c1ccc(CN2C[C@H](C#N)[C@]3(C2)c2ccccc2NC3=O)cc1 ZINC000378285128 558519536 /nfs/dbraw/zinc/51/95/36/558519536.db2.gz HTGDTVLZDALJNL-HRAATJIYSA-N 1 0 361.401 2.319 20 30 FEEDRO C[NH+]1CCC(CCNC(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)CC1 ZINC000378310425 558526477 /nfs/dbraw/zinc/52/64/77/558526477.db2.gz JRCMVRDDQPCKST-LJQANCHMSA-N 1 0 356.470 2.373 20 30 FEEDRO Cc1cc(NC(=O)[C@@H]2CCC[N@H+](Cc3cccnc3)C2)n(CCC#N)n1 ZINC000523340559 562211551 /nfs/dbraw/zinc/21/15/51/562211551.db2.gz JSQNHMNSSJQNRZ-QGZVFWFLSA-N 1 0 352.442 2.351 20 30 FEEDRO C#CCOc1ccccc1C[N@@H+](C)C1CCN(CC(=O)N2CCCC2)CC1 ZINC000378349268 558535188 /nfs/dbraw/zinc/53/51/88/558535188.db2.gz IVYMQZHFNOGZEB-UHFFFAOYSA-N 1 0 369.509 2.217 20 30 FEEDRO C#CCOc1ccccc1C[N@@H+]1C[C@H]2CN(Cc3noc(CC)n3)C[C@H]2C1 ZINC000378349348 558535706 /nfs/dbraw/zinc/53/57/06/558535706.db2.gz JOHWRTAUXMHTCF-HDICACEKSA-N 1 0 366.465 2.208 20 30 FEEDRO N#Cc1cccc(CNC(=O)C[N@@H+]2CC[C@H](n3cc4ccccc4n3)C2)c1 ZINC000378572928 558586712 /nfs/dbraw/zinc/58/67/12/558586712.db2.gz CSVWPLOGBHBQGJ-IBGZPJMESA-N 1 0 359.433 2.471 20 30 FEEDRO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]C[C@H](O)COc1ccccc1C#N ZINC000389825718 558609617 /nfs/dbraw/zinc/60/96/17/558609617.db2.gz QHDYRZRWWCRYMP-QMMLZNLJSA-N 1 0 365.477 2.408 20 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ZINC000409566691 558703588 /nfs/dbraw/zinc/70/35/88/558703588.db2.gz BPAZAPQNSILQFR-IXDOHACOSA-N 1 0 358.552 2.060 20 30 FEEDRO C[C@@H](C(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1)n1cnc(C#N)n1 ZINC000409636441 558709527 /nfs/dbraw/zinc/70/95/27/558709527.db2.gz SFXGKRYFASQPRR-INIZCTEOSA-N 1 0 366.469 2.081 20 30 FEEDRO COC(=O)C1CC[NH+](CCCNc2ccc(C(F)(F)F)c(C#N)n2)CC1 ZINC000409731961 558717139 /nfs/dbraw/zinc/71/71/39/558717139.db2.gz LWYSXIDTVGPMHW-UHFFFAOYSA-N 1 0 370.375 2.659 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]CC(=O)N[C@@H](c1ccc2c(c1)OCCO2)C(C)C ZINC000411800033 558965505 /nfs/dbraw/zinc/96/55/05/558965505.db2.gz YWVRQFCOBTYUIA-GQIGUUNPSA-N 1 0 360.454 2.204 20 30 FEEDRO C[C@H](CNC(=O)NC1CCC(Oc2ncccc2C#N)CC1)[N@H+](C)C1CC1 ZINC000525849223 562257249 /nfs/dbraw/zinc/25/72/49/562257249.db2.gz XLUKDLQSXVGGAS-MXWWQKGMSA-N 1 0 371.485 2.425 20 30 FEEDRO CC(C)[N@H+](C[C@H]1CCC(=O)N1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000412065094 559008873 /nfs/dbraw/zinc/00/88/73/559008873.db2.gz CVEYLOYKGLADMU-SJLPKXTDSA-N 1 0 354.454 2.043 20 30 FEEDRO CC(C)[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)C[C@H]1CCC(=O)N1 ZINC000412076098 559010406 /nfs/dbraw/zinc/01/04/06/559010406.db2.gz KSPOQHQAWKFCFX-CYBMUJFWSA-N 1 0 374.510 2.426 20 30 FEEDRO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1ccc(C#N)n1C ZINC000412673006 559049838 /nfs/dbraw/zinc/04/98/38/559049838.db2.gz MPKATWXTVXXCSC-YLJYHZDGSA-N 1 0 366.465 2.164 20 30 FEEDRO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1cc(C#N)ccn1 ZINC000412673987 559049976 /nfs/dbraw/zinc/04/99/76/559049976.db2.gz NSMUGLNQFCQUKM-UYAOXDASSA-N 1 0 364.449 2.220 20 30 FEEDRO Cc1cc(NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)c(C#N)cc1[N+](=O)[O-] ZINC000413109812 559078952 /nfs/dbraw/zinc/07/89/52/559078952.db2.gz NOWPJBVDAFELQZ-MRXNPFEDSA-N 1 0 359.430 2.130 20 30 FEEDRO COCC(COC)[NH+]1CCN(c2ccc(C#N)c(C(F)(F)F)c2)CC1 ZINC000413479223 559110875 /nfs/dbraw/zinc/11/08/75/559110875.db2.gz SJRYDILRUZWMRQ-UHFFFAOYSA-N 1 0 357.376 2.360 20 30 FEEDRO C=CC[C@H](Cc1ccccc1)NC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000413521753 559113906 /nfs/dbraw/zinc/11/39/06/559113906.db2.gz ZOELAKGWBAXJBA-LJQANCHMSA-N 1 0 358.530 2.499 20 30 FEEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(CC[NH3+])CCO ZINC000415016267 559200691 /nfs/dbraw/zinc/20/06/91/559200691.db2.gz CDPDTHRUWYCINT-UHFFFAOYSA-N 1 0 354.410 2.444 20 30 FEEDRO C[C@H](C#N)CSc1ccccc1NC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000415169917 559211461 /nfs/dbraw/zinc/21/14/61/559211461.db2.gz WGSGGEPOYHHXSA-CVEARBPZSA-N 1 0 373.526 2.450 20 30 FEEDRO C=CCN(CCc1ccco1)C(=O)C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000415176376 559212069 /nfs/dbraw/zinc/21/20/69/559212069.db2.gz XYAKEARWAKATKI-UHFFFAOYSA-N 1 0 371.412 2.260 20 30 FEEDRO N#Cc1cc(NC(=O)C(=O)NC[C@H]2CCC[NH2+]2)ccc1Oc1ccccc1 ZINC000415374000 559228639 /nfs/dbraw/zinc/22/86/39/559228639.db2.gz IGAGJPJGIGHUET-MRXNPFEDSA-N 1 0 364.405 2.157 20 30 FEEDRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1cnn(C)c1C#N ZINC000527251304 562282334 /nfs/dbraw/zinc/28/23/34/562282334.db2.gz BUIGKOGWNVXGSX-MRXNPFEDSA-N 1 0 367.453 2.124 20 30 FEEDRO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000415424607 559234779 /nfs/dbraw/zinc/23/47/79/559234779.db2.gz IMUBFMJRUXDTLD-LBPRGKRZSA-N 1 0 356.348 2.005 20 30 FEEDRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000415431465 559235769 /nfs/dbraw/zinc/23/57/69/559235769.db2.gz DMSWGNRWHFUOMP-SFHVURJKSA-N 1 0 366.421 2.389 20 30 FEEDRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 ZINC000415432128 559236107 /nfs/dbraw/zinc/23/61/07/559236107.db2.gz FNQBLARQIXAXCA-KRWDZBQOSA-N 1 0 366.421 2.389 20 30 FEEDRO CC(C)C[C@](C)(C[NH3+])NC(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 ZINC000415441290 559237341 /nfs/dbraw/zinc/23/73/41/559237341.db2.gz PACSHMIRWMBHSH-GOSISDBHSA-N 1 0 358.421 2.768 20 30 FEEDRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 ZINC000415445722 559237785 /nfs/dbraw/zinc/23/77/85/559237785.db2.gz SOOXUBUEDSICSG-DOMZBBRYSA-N 1 0 356.405 2.617 20 30 FEEDRO CC(C)(C)[C@H](C[NH3+])NC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 ZINC000415447505 559238059 /nfs/dbraw/zinc/23/80/59/559238059.db2.gz HOVNAIRUSUEHPV-AWEZNQCLSA-N 1 0 360.849 2.892 20 30 FEEDRO C[C@@H]1CN(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)CC[C@@H]1[NH3+] ZINC000415448421 559238254 /nfs/dbraw/zinc/23/82/54/559238254.db2.gz IDHGQLARTDLWAL-RISCZKNCSA-N 1 0 358.833 2.598 20 30 FEEDRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 ZINC000415459829 559239574 /nfs/dbraw/zinc/23/95/74/559239574.db2.gz NCFSHYNNQUDKBW-IUODEOHRSA-N 1 0 356.405 2.617 20 30 FEEDRO N#Cc1ccc(-n2ccc(NC(=O)N[C@@H](C[NH3+])C3CCCC3)n2)c(Cl)c1 ZINC000415471140 559240903 /nfs/dbraw/zinc/24/09/03/559240903.db2.gz ZTTCQBYXOZYQRI-HNNXBMFYSA-N 1 0 372.860 3.036 20 30 FEEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000415563896 559250100 /nfs/dbraw/zinc/25/01/00/559250100.db2.gz HPXOINNOUJJQGC-HZSPNIEDSA-N 1 0 360.483 2.073 20 30 FEEDRO CC(C)C[C@@](C)(C[NH3+])NC(=O)Nc1ccc(S(=O)(=O)[C@@H](C)C#N)cc1 ZINC000415600783 559254274 /nfs/dbraw/zinc/25/42/74/559254274.db2.gz OTVNIAMNVOWPKE-GUYCJALGSA-N 1 0 366.487 2.257 20 30 FEEDRO C=C(C)COc1cccc(NC(=O)N2CC[N@H+](C)C[C@@H](C(=O)OC)C2)c1 ZINC000416795474 559332915 /nfs/dbraw/zinc/33/29/15/559332915.db2.gz TYKHAAQEHRJMNM-OAHLLOKOSA-N 1 0 361.442 2.210 20 30 FEEDRO C[C@@]1(C[NH3+])CCN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)C1 ZINC000417572905 559367270 /nfs/dbraw/zinc/36/72/70/559367270.db2.gz HANKELAXFNRYNJ-BEFAXECRSA-N 1 0 359.449 2.046 20 30 FEEDRO C[NH2+]C[C@@H]1CCCN1C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000417575251 559367329 /nfs/dbraw/zinc/36/73/29/559367329.db2.gz IZQPVKPSBCMSBY-HOTGVXAUSA-N 1 0 359.449 2.060 20 30 FEEDRO N#Cc1ccc(N2CCC[C@H](NC(=O)NCCC[NH2+]C3CC3)C2)c(F)c1 ZINC000417579186 559367389 /nfs/dbraw/zinc/36/73/89/559367389.db2.gz OZNGOFFLRMOAEX-INIZCTEOSA-N 1 0 359.449 2.107 20 30 FEEDRO CN(CC(C)(C)C[NH3+])C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000417959754 559384193 /nfs/dbraw/zinc/38/41/93/559384193.db2.gz DUQVWLUBBJGCNY-UHFFFAOYSA-N 1 0 359.474 2.270 20 30 FEEDRO COc1cc(CNC(=O)N(CC[NH3+])CCc2ccccc2)ccc1C#N ZINC000418198602 559393732 /nfs/dbraw/zinc/39/37/32/559393732.db2.gz LYBAENAWRRHLQX-UHFFFAOYSA-N 1 0 352.438 2.280 20 30 FEEDRO N#Cc1c(F)cccc1N1CCN(C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000418433887 559401440 /nfs/dbraw/zinc/40/14/40/559401440.db2.gz VIEMROSBFRIWAH-RHSMWYFYSA-N 1 0 359.449 2.046 20 30 FEEDRO C=CCCC[C@H](C)NC(=O)C(=O)N1CCNC[C@@H]1c1ccccc1OC ZINC000419155519 559430371 /nfs/dbraw/zinc/43/03/71/559430371.db2.gz RRKUEOSGFFRXAA-DOTOQJQBSA-N 1 0 359.470 2.029 20 30 FEEDRO C[C@H](NC(=O)C(=O)NCC(C)(C)[NH3+])c1ccc(-c2cccc(C#N)c2)cc1 ZINC000419207012 559432711 /nfs/dbraw/zinc/43/27/11/559432711.db2.gz LTWPSZZJZBBCRU-AWEZNQCLSA-N 1 0 364.449 2.256 20 30 FEEDRO C[NH+](C)CCN1CCC(NC(=O)N[C@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000419402593 559440779 /nfs/dbraw/zinc/44/07/79/559440779.db2.gz CHUWWTBHCOZBMN-FQEVSTJZSA-N 1 0 369.513 2.261 20 30 FEEDRO C[C@@H]1CN(C(=O)N[C@H]2CCCc3cc(C#N)ccc32)CC[N@@H+]1CC(C)(C)O ZINC000419619003 559450234 /nfs/dbraw/zinc/45/02/34/559450234.db2.gz PEXXUMKCKDHEER-BEFAXECRSA-N 1 0 370.497 2.422 20 30 FEEDRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000419622004 559450243 /nfs/dbraw/zinc/45/02/43/559450243.db2.gz SHLQKVKJMMVUMN-CLCXKQKWSA-N 1 0 356.470 2.032 20 30 FEEDRO C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@@H]2CCCc3cc(C#N)ccc32)[C@H](C)C1 ZINC000419627145 559450515 /nfs/dbraw/zinc/45/05/15/559450515.db2.gz XUBUNYMGHJUHRY-ZRGWGRIASA-N 1 0 356.470 2.032 20 30 FEEDRO C=C(C)[C@H](NC(=O)C(=O)N1CC[NH2+]C[C@H]1CCC)c1ccc(F)c(F)c1 ZINC000419679876 559453647 /nfs/dbraw/zinc/45/36/47/559453647.db2.gz QEOBZQGRSCHSIR-PBHICJAKSA-N 1 0 365.424 2.299 20 30 FEEDRO C=C(C)[C@H](NC(=O)C(=O)NCC1(C)CC[NH2+]CC1)c1ccc(F)c(F)c1 ZINC000419681446 559453859 /nfs/dbraw/zinc/45/38/59/559453859.db2.gz RUZPXEHENXSMQX-INIZCTEOSA-N 1 0 365.424 2.204 20 30 FEEDRO C=C(C)[C@@H](NC(=O)C(=O)NCCC1=CC[NH2+]CC1)c1ccc(F)c(F)c1 ZINC000419685768 559454050 /nfs/dbraw/zinc/45/40/50/559454050.db2.gz YBLGJNAHBZPLMF-QGZVFWFLSA-N 1 0 363.408 2.124 20 30 FEEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)NCC1([NH+](C)C)CC1 ZINC000419794815 559459584 /nfs/dbraw/zinc/45/95/84/559459584.db2.gz HSJOBUIJIIXAAY-ZDUSSCGKSA-N 1 0 360.483 2.087 20 30 FEEDRO CN(C[C@H]1CCC[N@@H+]1C)S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000420757233 559502719 /nfs/dbraw/zinc/50/27/19/559502719.db2.gz BUVXPJJRZMHAMU-GFCCVEGCSA-N 1 0 361.389 2.292 20 30 FEEDRO C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000422086502 559564298 /nfs/dbraw/zinc/56/42/98/559564298.db2.gz OQCAATXYUJLBIV-IEBWSBKVSA-N 1 0 357.498 2.138 20 30 FEEDRO CC(C)(CC#N)CNC(=O)C(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000422294091 559576260 /nfs/dbraw/zinc/57/62/60/559576260.db2.gz BISZLSVLZAUMES-NRFANRHFSA-N 1 0 370.497 2.213 20 30 FEEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)NCC(C)(C)CC#N ZINC000422343171 559580019 /nfs/dbraw/zinc/58/00/19/559580019.db2.gz SGPJNNMNURFVAA-AEFFLSMTSA-N 1 0 370.497 2.069 20 30 FEEDRO C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000422352210 559580771 /nfs/dbraw/zinc/58/07/71/559580771.db2.gz MMWMSTKMCVVDGM-XUBOLADHSA-N 1 0 369.509 2.422 20 30 FEEDRO C[C@@H](NC(=O)C(=O)NCC(C)(C)CC#N)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000422432648 559587856 /nfs/dbraw/zinc/58/78/56/559587856.db2.gz XMHKEXRLVPDTLO-AEFFLSMTSA-N 1 0 370.497 2.069 20 30 FEEDRO C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000422520515 559592646 /nfs/dbraw/zinc/59/26/46/559592646.db2.gz CFUDUZUABCQCOR-PMACEKPBSA-N 1 0 369.509 2.377 20 30 FEEDRO C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CC[C@@H]([NH+](CC)CC)C1 ZINC000422536082 559593587 /nfs/dbraw/zinc/59/35/87/559593587.db2.gz CTIPPJOYNCSUKV-RBUKOAKNSA-N 1 0 357.498 2.233 20 30 FEEDRO CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)[C@H]([NH3+])CCCC#N ZINC000424072231 559653797 /nfs/dbraw/zinc/65/37/97/559653797.db2.gz CWTIOKCHUFOCJN-CYBMUJFWSA-N 1 0 357.241 2.411 20 30 FEEDRO C[C@@H](CNC(=O)[C@H]([NH3+])CCCC#N)Oc1ccc(Br)cc1 ZINC000424124174 559655503 /nfs/dbraw/zinc/65/55/03/559655503.db2.gz LZOSPLQEKJJWJS-SMDDNHRTSA-N 1 0 354.248 2.354 20 30 FEEDRO N#CCCC[C@@H]([NH3+])C(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccccc1 ZINC000424137807 559655994 /nfs/dbraw/zinc/65/59/94/559655994.db2.gz MEPFJFOYKQVCPK-RTBURBONSA-N 1 0 364.449 2.374 20 30 FEEDRO N#CCCC[C@H]([NH3+])C(=O)N1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000424164992 559656607 /nfs/dbraw/zinc/65/66/07/559656607.db2.gz CXMPTWRHAHSTEG-HOTGVXAUSA-N 1 0 352.442 2.199 20 30 FEEDRO COc1cc(C[NH2+][C@@H]2CC[C@H](C#N)C2)ccc1OCC(=O)N1CCCC1 ZINC000424206136 559657816 /nfs/dbraw/zinc/65/78/16/559657816.db2.gz WRBYLYJQARFUBY-DOTOQJQBSA-N 1 0 357.454 2.478 20 30 FEEDRO C=CCC1(C(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)CCOCC1 ZINC000424753839 559675646 /nfs/dbraw/zinc/67/56/46/559675646.db2.gz BYXCSVUEHNIWAS-IBGZPJMESA-N 1 0 358.482 2.242 20 30 FEEDRO C[C@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000425387511 559699447 /nfs/dbraw/zinc/69/94/47/559699447.db2.gz QRXJASSGTNVYPW-MRXNPFEDSA-N 1 0 370.497 2.268 20 30 FEEDRO C=CCn1cc(CNC(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)nn1 ZINC000425435620 559702113 /nfs/dbraw/zinc/70/21/13/559702113.db2.gz TXWAXUKSEBGATD-HNNXBMFYSA-N 1 0 374.514 2.237 20 30 FEEDRO CC(C)[C@](C)(C#N)NC(=O)CN1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000425500128 559706097 /nfs/dbraw/zinc/70/60/97/559706097.db2.gz LEYIDSWJPJCARK-ZVDOUQERSA-N 1 0 354.498 2.247 20 30 FEEDRO C=CCn1cc(CNC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)nn1 ZINC000425561657 559709900 /nfs/dbraw/zinc/70/99/00/559709900.db2.gz CHVLYOPEASSWGP-UHFFFAOYSA-N 1 0 368.485 2.449 20 30 FEEDRO C[C@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000425882320 559723873 /nfs/dbraw/zinc/72/38/73/559723873.db2.gz IEJVUTNOHGLALB-FHLIZLRMSA-N 1 0 356.470 2.067 20 30 FEEDRO CN(C)C(=O)CC[NH+]1CCN(c2nc3c(cc2C#N)CCCC3(C)C)CC1 ZINC000428150991 559770508 /nfs/dbraw/zinc/77/05/08/559770508.db2.gz COTRJMLQQYJSMY-UHFFFAOYSA-N 1 0 369.513 2.167 20 30 FEEDRO CC[NH+](CC)Cc1cccc(CNS(=O)(=O)c2cccnc2C#N)c1 ZINC000428243730 559772209 /nfs/dbraw/zinc/77/22/09/559772209.db2.gz CFCLPSBDUXRZQR-UHFFFAOYSA-N 1 0 358.467 2.274 20 30 FEEDRO N#Cc1ccc(C[C@@H](C#N)C(=O)Nc2cccc(C[N@H+]3CC[C@H](O)C3)c2)cc1 ZINC000428549548 559777851 /nfs/dbraw/zinc/77/78/51/559777851.db2.gz QBCMAOGHUXGAAI-FPOVZHCZSA-N 1 0 374.444 2.446 20 30 FEEDRO COC(=O)[C@]1(c2ccccc2)CC[N@@H+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000428803044 559783775 /nfs/dbraw/zinc/78/37/75/559783775.db2.gz IFPHOSQVGNLLHL-ORYQWCPZSA-N 1 0 371.481 2.246 20 30 FEEDRO C=CC[N@@H+](C)CCN(CC)CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000429721674 559804510 /nfs/dbraw/zinc/80/45/10/559804510.db2.gz RRQNRKBBILSILJ-UHFFFAOYSA-N 1 0 366.469 2.122 20 30 FEEDRO N#Cc1ccc(C(F)(F)F)nc1NCC(=O)NCC[NH+]1CCCCCC1 ZINC000431495566 559840252 /nfs/dbraw/zinc/84/02/52/559840252.db2.gz PFJIUDAVQBFUSM-UHFFFAOYSA-N 1 0 369.391 2.376 20 30 FEEDRO CCN1CC[NH+](CCCCNC(=O)[C@H](C#N)CCc2ccccc2)CC1 ZINC000433354338 559878107 /nfs/dbraw/zinc/87/81/07/559878107.db2.gz NYPVETXORIFLTB-FQEVSTJZSA-N 1 0 356.514 2.293 20 30 FEEDRO C=CC1CCN(C(=O)C(=O)Nc2cccc3c2OCC[C@H]3[NH+](C)C)CC1 ZINC000434588373 559903051 /nfs/dbraw/zinc/90/30/51/559903051.db2.gz UFMNWRXITUHUBY-QGZVFWFLSA-N 1 0 357.454 2.435 20 30 FEEDRO C=CCSCCNC(=O)C(=O)Nc1cccc2c1OCC[C@H]2[NH+](C)C ZINC000434598028 559903286 /nfs/dbraw/zinc/90/32/86/559903286.db2.gz SQALUOQQJHVCPC-OAHLLOKOSA-N 1 0 363.483 2.046 20 30 FEEDRO CN(C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000434739663 559908381 /nfs/dbraw/zinc/90/83/81/559908381.db2.gz WLCAZRISPNKDLG-UFYCRDLUSA-N 1 0 363.465 2.104 20 30 FEEDRO C=C(C)[C@H]1OCC[C@H]1CNC(=O)NC1CC[NH+](CCOC(C)C)CC1 ZINC000437986898 559972595 /nfs/dbraw/zinc/97/25/95/559972595.db2.gz NTEOJTYOGDJWKO-FUHWJXTLSA-N 1 0 353.507 2.156 20 30 FEEDRO C[NH+](C)CC1(NC(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)CCC1 ZINC000439379056 559993216 /nfs/dbraw/zinc/99/32/16/559993216.db2.gz KETNBAWFJTXWPL-UHFFFAOYSA-N 1 0 372.860 3.003 20 30 FEEDRO CCC(CC)[C@@H](CNS(=O)(=O)Cc1cc(C#N)ccc1F)[NH+](C)C ZINC000440085885 560004493 /nfs/dbraw/zinc/00/44/93/560004493.db2.gz DKIOHZOGVADGDV-QGZVFWFLSA-N 1 0 355.479 2.483 20 30 FEEDRO CC(C)(C)OC(=O)CN[C@@]1(C)CC[N@H+](CCOc2cccc(C#N)c2)C1 ZINC000440526563 560013711 /nfs/dbraw/zinc/01/37/11/560013711.db2.gz YAYAVNIMCBOKCG-FQEVSTJZSA-N 1 0 359.470 2.333 20 30 FEEDRO C=CCN(C(=O)N[C@@H](C)CC[NH+](C)C)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000440991582 560021178 /nfs/dbraw/zinc/02/11/78/560021178.db2.gz YQJXKTNEWLCDNA-JKSUJKDBSA-N 1 0 371.489 2.261 20 30 FEEDRO Cc1cc(C[NH2+]C[C@H](O)COc2ccc3c(c2)CCC(=O)N3)ccc1C#N ZINC000443988882 560098631 /nfs/dbraw/zinc/09/86/31/560098631.db2.gz PKXHDZNOCHAAPT-SFHVURJKSA-N 1 0 365.433 2.281 20 30 FEEDRO Cc1nc(C)n(CCCC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)n1 ZINC000448723826 560196520 /nfs/dbraw/zinc/19/65/20/560196520.db2.gz CGYKRMDBVOYQLQ-UHFFFAOYSA-N 1 0 368.485 2.137 20 30 FEEDRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(c2cccc(C#N)c2[N+](=O)[O-])CC1 ZINC000450294967 560257445 /nfs/dbraw/zinc/25/74/45/560257445.db2.gz TYICMQATVNWLFA-IYBDPMFKSA-N 1 0 357.458 2.461 20 30 FEEDRO C[C@@H]1C[NH+](CCCCNc2ncc(Br)cc2C#N)C[C@@H](C)O1 ZINC000450374413 560260408 /nfs/dbraw/zinc/26/04/08/560260408.db2.gz FJYRQJPGXVWHND-CHWSQXEVSA-N 1 0 367.291 3.017 20 30 FEEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SC[C@H]1COCCO1 ZINC000450746906 560272047 /nfs/dbraw/zinc/27/20/47/560272047.db2.gz SATONRNBXQEQCE-OAHLLOKOSA-N 1 0 352.504 2.000 20 30 FEEDRO CC[NH+](CC)CCOCCNC(=O)c1ccc(Br)cc1C#N ZINC000450840657 560275397 /nfs/dbraw/zinc/27/53/97/560275397.db2.gz YEQKLBXFJGFNEO-UHFFFAOYSA-N 1 0 368.275 2.409 20 30 FEEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)c1 ZINC000450856483 560275849 /nfs/dbraw/zinc/27/58/49/560275849.db2.gz ITVUTTZDZNRCFC-RCCFBDPRSA-N 1 0 360.479 2.269 20 30 FEEDRO C=CCc1ccccc1OC[C@H](O)C[NH2+][C@](C)(CO)c1cccc(O)c1 ZINC000451039969 560284103 /nfs/dbraw/zinc/28/41/03/560284103.db2.gz QKANHJBZEISGKL-TZIWHRDSSA-N 1 0 357.450 2.358 20 30 FEEDRO C[NH+](C)CCN(C1CCCC1)S(=O)(=O)Cc1ccc(F)cc1C#N ZINC000451323097 560300178 /nfs/dbraw/zinc/30/01/78/560300178.db2.gz VFXXIFDBBMZKOL-UHFFFAOYSA-N 1 0 353.463 2.333 20 30 FEEDRO COC[C@]1(C(=O)OC)CC[N@H+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000451330700 560300602 /nfs/dbraw/zinc/30/06/02/560300602.db2.gz BFKDZKUUFCBHKP-KRWDZBQOSA-N 1 0 354.353 2.171 20 30 FEEDRO CN(C)C(=O)C1([NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCCCC1 ZINC000451411235 560305100 /nfs/dbraw/zinc/30/51/00/560305100.db2.gz LYNDRKYQHQZOHD-SFHVURJKSA-N 1 0 368.481 2.434 20 30 FEEDRO C[C@@H]1CN(CC(=O)N[C@@](C)(C#N)C2CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000451706072 560323425 /nfs/dbraw/zinc/32/34/25/560323425.db2.gz JRKFHOLUSKXZNO-UWJYYQICSA-N 1 0 354.498 2.249 20 30 FEEDRO COC(=O)[C@@H]1C[N@@H+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C[C@H]1c1ccccc1 ZINC000452000818 560344347 /nfs/dbraw/zinc/34/43/47/560344347.db2.gz ZTRWFCKVDWWGOY-HVSHLEFESA-N 1 0 371.481 2.318 20 30 FEEDRO C[N@H+](CC(=O)NC1(C#N)CCCCC1)C1CCN(CC(F)(F)F)CC1 ZINC000452035447 560347023 /nfs/dbraw/zinc/34/70/23/560347023.db2.gz GLXOMZWMTWKWND-UHFFFAOYSA-N 1 0 360.424 2.288 20 30 FEEDRO C=C(C)Cn1c([C@@H](C)OCCOC)nnc1N(C)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000453448474 560386935 /nfs/dbraw/zinc/38/69/35/560386935.db2.gz CLUYYQUWHSYBFC-IAGOWNOFSA-N 1 0 365.522 2.497 20 30 FEEDRO C=CCn1c(C(=O)NC(CC)CC)nnc1N(C)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000453449486 560387012 /nfs/dbraw/zinc/38/70/12/560387012.db2.gz QBJOBDYJGHAYFI-MRXNPFEDSA-N 1 0 362.522 2.301 20 30 FEEDRO C=C(C)Cn1c([C@@H]2CCCO2)nnc1N1CC[N@@H+](CCOCC)[C@@H](C)C1 ZINC000453459534 560387314 /nfs/dbraw/zinc/38/73/14/560387314.db2.gz CRLXNDVWAUOPAB-IRXDYDNUSA-N 1 0 363.506 2.253 20 30 FEEDRO C=C(C)Cn1c(N2CC[N@@H+](CCOC)[C@@H](C)C2)nnc1[C@@]1(C)CCCO1 ZINC000453472504 560387629 /nfs/dbraw/zinc/38/76/29/560387629.db2.gz XVEOEQHBLVXFON-QFBILLFUSA-N 1 0 363.506 2.037 20 30 FEEDRO C=C(C)Cn1c(N2CC[N@@H+](CCOC)[C@H](C)C2)nnc1[C@@]1(C)CCCO1 ZINC000453472505 560387690 /nfs/dbraw/zinc/38/76/90/560387690.db2.gz XVEOEQHBLVXFON-VQIMIIECSA-N 1 0 363.506 2.037 20 30 FEEDRO COc1ccc(CN2CCN(C(=O)c3cscn3)[C@@H](C)C2)cc1C#N ZINC000453576446 560389354 /nfs/dbraw/zinc/38/93/54/560389354.db2.gz PQAQWGZIIXTDDD-ZDUSSCGKSA-N 1 0 356.451 2.370 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)Nc1ccc(C#N)c(C)n1)C(C)C ZINC000453592265 560390144 /nfs/dbraw/zinc/39/01/44/560390144.db2.gz HTGHXVREQWQTCU-KRWDZBQOSA-N 1 0 369.469 2.015 20 30 FEEDRO Cc1cc(C#N)cc(NC(=O)C(=O)N2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000453602753 560390750 /nfs/dbraw/zinc/39/07/50/560390750.db2.gz WSUVKPQUEUIDIH-UHFFFAOYSA-N 1 0 354.454 2.140 20 30 FEEDRO N#CCc1ccc(NC(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)c(Cl)c1 ZINC000453621787 560391689 /nfs/dbraw/zinc/39/16/89/560391689.db2.gz MXXOKFHQRMWGBK-UHFFFAOYSA-N 1 0 374.872 2.335 20 30 FEEDRO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccc(CC#N)cc1Cl ZINC000453706820 560398409 /nfs/dbraw/zinc/39/84/09/560398409.db2.gz GHSHYDGFBHGVAX-GXTWGEPZSA-N 1 0 360.845 2.040 20 30 FEEDRO CN(CC[N@H+](C)C1CC1)C(=O)C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 ZINC000453751639 560401557 /nfs/dbraw/zinc/40/15/57/560401557.db2.gz NSVXVKJPBKEZNZ-UHFFFAOYSA-N 1 0 372.469 2.227 20 30 FEEDRO C[C@H](C#N)CN(C(=O)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)C1CC1 ZINC000453752837 560401695 /nfs/dbraw/zinc/40/16/95/560401695.db2.gz OJKGQKJAVCTBBP-FZKQIMNGSA-N 1 0 354.454 2.325 20 30 FEEDRO C[C@@H]1[C@H](C)N(C)CCN1C(=O)C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 ZINC000453771412 560403147 /nfs/dbraw/zinc/40/31/47/560403147.db2.gz UODIGZFYDJGTMI-UONOGXRCSA-N 1 0 372.469 2.225 20 30 FEEDRO C=CC(C)(C)CNC(=O)C(=O)Nc1cccc(N2CC[NH+](C(C)C)CC2)c1 ZINC000453880440 560410303 /nfs/dbraw/zinc/41/03/03/560410303.db2.gz MEZAUISBHDQDSY-UHFFFAOYSA-N 1 0 372.513 2.484 20 30 FEEDRO C=C(CC)CNC(=O)C(=O)Nc1ccccc1CN1C[C@H](C)O[C@@H](C)C1 ZINC000454022268 560422677 /nfs/dbraw/zinc/42/26/77/560422677.db2.gz DNRCQMVOCWXHIT-HOTGVXAUSA-N 1 0 359.470 2.317 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccc(F)c(S(C)(=O)=O)c2)CC1 ZINC000455836567 560496892 /nfs/dbraw/zinc/49/68/92/560496892.db2.gz JYIQEKYNMUHHNS-UHFFFAOYSA-N 1 0 355.435 2.001 20 30 FEEDRO CC(C)(Cc1ccc(C#N)cc1)C(=O)NCCCC[N@@H+]1CCC[C@@H]1CO ZINC000455980168 560503092 /nfs/dbraw/zinc/50/30/92/560503092.db2.gz CATNDIABZVJVNU-LJQANCHMSA-N 1 0 357.498 2.480 20 30 FEEDRO C[NH+](C)CC(C)(C)NC(=O)COc1ccc(C#N)c(Br)c1 ZINC000457238780 560557506 /nfs/dbraw/zinc/55/75/06/560557506.db2.gz MHMYFKIGANFAIH-UHFFFAOYSA-N 1 0 354.248 2.156 20 30 FEEDRO C[C@H](Cc1cnn(C)c1)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000457446411 560567180 /nfs/dbraw/zinc/56/71/80/560567180.db2.gz DTMYDKQXXGEMLK-MRXNPFEDSA-N 1 0 353.470 2.061 20 30 FEEDRO C=CCC[C@H](CO)NC(=O)NCCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000457742214 560585232 /nfs/dbraw/zinc/58/52/32/560585232.db2.gz UURLEIVWHZTRQS-LJQANCHMSA-N 1 0 374.529 2.133 20 30 FEEDRO COCC[N@H+](CCC(=O)Nc1cccc(C#N)c1)Cc1c(C)nn(C)c1C ZINC000459581922 560695858 /nfs/dbraw/zinc/69/58/58/560695858.db2.gz QSERLWIWYFQUOW-UHFFFAOYSA-N 1 0 369.469 2.386 20 30 FEEDRO N#Cc1ccsc1NC(=O)CC[NH2+]C1(C(N)=O)C2CC3CC(C2)CC1C3 ZINC000459766101 560706988 /nfs/dbraw/zinc/70/69/88/560706988.db2.gz DUTYQRCIBFRMBW-UHFFFAOYSA-N 1 0 372.494 2.218 20 30 FEEDRO C=CCN(C)C(=O)C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000459907101 560718492 /nfs/dbraw/zinc/71/84/92/560718492.db2.gz KOKQHYWEMGCPFE-NRFANRHFSA-N 1 0 355.482 2.146 20 30 FEEDRO CCN(C(=O)C(=O)N(C)C[C@H](C)C#N)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000460054005 560731906 /nfs/dbraw/zinc/73/19/06/560731906.db2.gz MXAUTOMCQABTHN-ZIFCJYIRSA-N 1 0 370.497 2.288 20 30 FEEDRO C=C(C)CN(C)C(=O)C(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1 ZINC000460059300 560732319 /nfs/dbraw/zinc/73/23/19/560732319.db2.gz MMQGEOKWMMKMHC-UHFFFAOYSA-N 1 0 351.878 2.265 20 30 FEEDRO C=CCN(CCc1ccccc1)C(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000460067412 560732813 /nfs/dbraw/zinc/73/28/13/560732813.db2.gz PTKUDNOLVKPTLQ-HXUWFJFHSA-N 1 0 369.509 2.331 20 30 FEEDRO C=C(C)Cn1c(N2CC[C@H](N3CC[NH+](CC)CC3)C2)nnc1C(C)(C)C ZINC000460944726 560756765 /nfs/dbraw/zinc/75/67/65/560756765.db2.gz SBLYHTCHFZUQFT-KRWDZBQOSA-N 1 0 360.550 2.368 20 30 FEEDRO Cc1nsc(N2CCN(C(=O)[C@@H](C)[N@H+]3[C@H](C)CC[C@@H]3C)CC2)c1C#N ZINC000461202326 560763949 /nfs/dbraw/zinc/76/39/49/560763949.db2.gz ZMJSMXDPLCJHAQ-VNHYZAJKSA-N 1 0 361.515 2.233 20 30 FEEDRO C[NH+](C)CCOCCNC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 ZINC000461411295 560770459 /nfs/dbraw/zinc/77/04/59/560770459.db2.gz NAIDFMIXKLENNG-UHFFFAOYSA-N 1 0 373.482 2.305 20 30 FEEDRO C[C@H](CNC(=O)N1CC(Oc2ccc(C#N)cc2)C1)[NH+]1CCC(C)CC1 ZINC000462009900 560792090 /nfs/dbraw/zinc/79/20/90/560792090.db2.gz RHYYDEQANJHZRG-MRXNPFEDSA-N 1 0 356.470 2.451 20 30 FEEDRO CC#CCCCC(=O)N1CCC(CC(=O)N2CCC([NH+](C)C)CC2)CC1 ZINC000464653540 560847770 /nfs/dbraw/zinc/84/77/70/560847770.db2.gz SOPNKEUXPBDTOC-UHFFFAOYSA-N 1 0 361.530 2.361 20 30 FEEDRO C=CC[C@@H](CC)NC(=O)N1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000466388539 560885716 /nfs/dbraw/zinc/88/57/16/560885716.db2.gz KNGYYVZYXOBWBC-QGZVFWFLSA-N 1 0 366.550 2.467 20 30 FEEDRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)NCCc2cccc(C#N)c2)C1 ZINC000466813676 560896309 /nfs/dbraw/zinc/89/63/09/560896309.db2.gz GVBPWGSXZWXUED-IBGZPJMESA-N 1 0 358.486 2.243 20 30 FEEDRO N#Cc1ccc([C@H]([NH2+]CCCc2ccc3c(c2)OCCO3)C(N)=O)cc1 ZINC000467414975 560909758 /nfs/dbraw/zinc/90/97/58/560909758.db2.gz XLOGEWKRBILPBQ-IBGZPJMESA-N 1 0 351.406 2.078 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H]1CCCN1C(=O)NC(C)C)C(C)C ZINC000472068773 561017292 /nfs/dbraw/zinc/01/72/92/561017292.db2.gz QQOAHEXXHFGEKU-ZWKOTPCHSA-N 1 0 364.534 2.384 20 30 FEEDRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)[C@H](C#N)Cc2ccc(C#N)cc2)C1 ZINC000472253310 561021834 /nfs/dbraw/zinc/02/18/34/561021834.db2.gz ATPBWARJPMOWHO-UXHICEINSA-N 1 0 350.466 2.431 20 30 FEEDRO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@@H+]1C[C@H](O)COc1ccc(C#N)cc1 ZINC000472313895 561024059 /nfs/dbraw/zinc/02/40/59/561024059.db2.gz GVGOORMKFSVHFG-QYZOEREBSA-N 1 0 359.470 2.019 20 30 FEEDRO CS(=O)(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000472623553 561031257 /nfs/dbraw/zinc/03/12/57/561031257.db2.gz MARIOJWDJAFLAV-QZTJIDSGSA-N 1 0 365.499 2.319 20 30 FEEDRO C=CCC[C@@H](O)C[NH+]1CCN([C@@H](C(=O)OC)c2ccc(Cl)cc2)CC1 ZINC000472752759 561034509 /nfs/dbraw/zinc/03/45/09/561034509.db2.gz OTCSPUXGZNNLRF-QZTJIDSGSA-N 1 0 366.889 2.499 20 30 FEEDRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)C1 ZINC000473308729 561047262 /nfs/dbraw/zinc/04/72/62/561047262.db2.gz RJRZYQIGVJJIQL-AWEZNQCLSA-N 1 0 374.872 2.340 20 30 FEEDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cnn(C)c1C#N ZINC000476210800 561113269 /nfs/dbraw/zinc/11/32/69/561113269.db2.gz ZENWOIAZBQMUMF-QGZVFWFLSA-N 1 0 351.454 2.276 20 30 FEEDRO Cn1ncc(C(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)c1C#N ZINC000476723793 561126959 /nfs/dbraw/zinc/12/69/59/561126959.db2.gz KVKWALDDHNCPOK-HNNXBMFYSA-N 1 0 365.359 2.343 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cnn([C@H](C)CC)c2C2CC2)CC1 ZINC000476935594 561132392 /nfs/dbraw/zinc/13/23/92/561132392.db2.gz VLZBMWSJPWAKEQ-CQSZACIVSA-N 1 0 373.501 2.437 20 30 FEEDRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N(Cc1ccc(C#N)cc1)CC(C)C ZINC000477063003 561135696 /nfs/dbraw/zinc/13/56/96/561135696.db2.gz ZFJIQBATWOLWPZ-QGZVFWFLSA-N 1 0 372.513 2.389 20 30 FEEDRO CCO[C@@]1(C)C[C@H]1NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000528215256 562318996 /nfs/dbraw/zinc/31/89/96/562318996.db2.gz SDNBJEYYPYIQAZ-QUCCMNQESA-N 1 0 356.470 2.343 20 30 FEEDRO N#Cc1ccccc1OC[C@@H](O)C[NH+]1CCC(Nc2ccccn2)CC1 ZINC000528427781 562328783 /nfs/dbraw/zinc/32/87/83/562328783.db2.gz KWYXISHGODYMLH-SFHVURJKSA-N 1 0 352.438 2.269 20 30 FEEDRO CN1CC[C@@H]([NH2+]CC#CCN2C(=O)c3ccccc3C2=O)[C@H]1c1ccccc1 ZINC000528495709 562332220 /nfs/dbraw/zinc/33/22/20/562332220.db2.gz ZPMZRGOCRRDNSZ-NHCUHLMSSA-N 1 0 373.456 2.321 20 30 FEEDRO CO[C@@H](Cc1ccc(F)cc1)C[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000528507925 562333014 /nfs/dbraw/zinc/33/30/14/562333014.db2.gz QWVPKZMXNAVVCV-IBGZPJMESA-N 1 0 354.429 2.472 20 30 FEEDRO CCO[C@@H]1C[C@H]([NH2+]CC#CCN2C(=O)c3ccccc3C2=O)C12CCC2 ZINC000528520965 562333729 /nfs/dbraw/zinc/33/37/29/562333729.db2.gz OVWYKLMLDJQLJC-ZWKOTPCHSA-N 1 0 352.434 2.223 20 30 FEEDRO N#Cc1ccc(CC(=O)NCc2ccc(OCC[NH+]3CCCC3)cc2)cn1 ZINC000528528713 562334198 /nfs/dbraw/zinc/33/41/98/562334198.db2.gz UFYNDXCRIARKRB-UHFFFAOYSA-N 1 0 364.449 2.287 20 30 FEEDRO N#Cc1ccsc1NC(=O)CC[N@H+]1CC2(CCOCC2)CC[C@@H]1CO ZINC000528641866 562339900 /nfs/dbraw/zinc/33/99/00/562339900.db2.gz WCWZDACTACVXIP-OAHLLOKOSA-N 1 0 363.483 2.202 20 30 FEEDRO Cn1cc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)[S@@]3=O)c(-c2ccc(C#N)cc2)n1 ZINC000528782357 562347357 /nfs/dbraw/zinc/34/73/57/562347357.db2.gz JAQMYHWZUIAYTR-FUMQJTLXSA-N 1 0 354.479 2.444 20 30 FEEDRO C=CC[C@@H](CO)NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1nccs1 ZINC000529025486 562357195 /nfs/dbraw/zinc/35/71/95/562357195.db2.gz KFSBLQWZIKDINN-RCCFBDPRSA-N 1 0 371.506 2.412 20 30 FEEDRO COCc1ccc(NC(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cc1C#N ZINC000529212082 562365045 /nfs/dbraw/zinc/36/50/45/562365045.db2.gz MYLKHEZGUFTORY-RBUKOAKNSA-N 1 0 372.469 2.204 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(C(C)(C)C#N)cc2)c1C#N ZINC000530476471 562412669 /nfs/dbraw/zinc/41/26/69/562412669.db2.gz KCCBVKMPEUYWSW-UHFFFAOYSA-N 1 0 350.426 2.487 20 30 FEEDRO CCC[N@H+](CC)CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000532926664 562492777 /nfs/dbraw/zinc/49/27/77/562492777.db2.gz SAFDEEMNXBNWTM-UHFFFAOYSA-N 1 0 371.441 2.187 20 30 FEEDRO C=CCCOCCNC(=O)NCC1([NH+]2CCC(OC)CC2)CCCC1 ZINC000533801230 562518592 /nfs/dbraw/zinc/51/85/92/562518592.db2.gz HLJIGGFDNKSKEU-UHFFFAOYSA-N 1 0 353.507 2.302 20 30 FEEDRO CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000533991022 562523121 /nfs/dbraw/zinc/52/31/21/562523121.db2.gz BQXJQHMVCSXFSU-FQEVSTJZSA-N 1 0 373.497 2.267 20 30 FEEDRO N#Cc1ccsc1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000534917937 562545078 /nfs/dbraw/zinc/54/50/78/562545078.db2.gz YGIHJEKFWPRLEU-DLBZAZTESA-N 1 0 355.463 2.233 20 30 FEEDRO CS[C@H]1CN(CC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@@H]1[NH+](C)C ZINC000534951978 562546069 /nfs/dbraw/zinc/54/60/69/562546069.db2.gz PPOMYQQNWRFEAN-GJZGRUSLSA-N 1 0 352.891 2.128 20 30 FEEDRO C=CCOc1ccc(C[NH+]2CCC(OCCC(=O)NC)CC2)cc1OC ZINC000535798547 562568260 /nfs/dbraw/zinc/56/82/60/562568260.db2.gz NWSPOJOLHQVHII-UHFFFAOYSA-N 1 0 362.470 2.377 20 30 FEEDRO C=C(C)[C@@H](CC(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1)OCC ZINC000535917153 562570781 /nfs/dbraw/zinc/57/07/81/562570781.db2.gz DFWACUIIPCOXBF-CEXWTWQISA-N 1 0 351.535 2.375 20 30 FEEDRO C[C@H]([NH2+]CC(=O)NCc1cccc(C#N)c1)c1ccc([S@@](C)=O)cc1 ZINC000541122200 562603752 /nfs/dbraw/zinc/60/37/52/562603752.db2.gz CQCIHHNTQSNKLT-HWRSSNJWSA-N 1 0 355.463 2.263 20 30 FEEDRO CCCNC(=O)c1cccc(C[NH2+]C[C@@H](O)COc2ccc(C#N)cc2)c1 ZINC000550192863 562643931 /nfs/dbraw/zinc/64/39/31/562643931.db2.gz RKYIWIDOYVSLKC-LJQANCHMSA-N 1 0 367.449 2.228 20 30 FEEDRO N#CC1(C[C@@H](O)C[NH2+]C[C@H](CO)c2ccc(Cl)cc2)CCOCC1 ZINC000601970527 567890475 /nfs/dbraw/zinc/89/04/75/567890475.db2.gz LLGCUWLEEPLUSZ-NVXWUHKLSA-N 1 0 352.862 2.077 20 30 FEEDRO Cc1ccc(NC(=O)C(=O)N(C)[C@@H]2CCC[C@H]2C#N)c(OCC[NH+](C)C)c1 ZINC000602072556 567916321 /nfs/dbraw/zinc/91/63/21/567916321.db2.gz DECBKXUKNOADON-DOTOQJQBSA-N 1 0 372.469 2.025 20 30 FEEDRO N#CCC1(CNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@]23CCOC3)CC1 ZINC000602149910 567937382 /nfs/dbraw/zinc/93/73/82/567937382.db2.gz XWFYSQZVIBHKOL-RXVVDRJESA-N 1 0 353.466 2.335 20 30 FEEDRO CC[NH+](CC)CCOCCNC(=O)N1CCc2c(CC#N)cccc2C1 ZINC000602296354 567964536 /nfs/dbraw/zinc/96/45/36/567964536.db2.gz UCOVTZPAHVUZCN-UHFFFAOYSA-N 1 0 358.486 2.179 20 30 FEEDRO Cc1ccccc1[C@@H]([C@H](C)NC(=O)N1CCN(CCC#N)CC1)[NH+](C)C ZINC000602312084 567965994 /nfs/dbraw/zinc/96/59/94/567965994.db2.gz PMYZOUIEFPJCFQ-PKOBYXMFSA-N 1 0 357.502 2.227 20 30 FEEDRO CN(C[C@@H](O)COc1cc(Cl)cc(Cl)c1)C(=O)[C@@H]([NH3+])CCCC#N ZINC000602580641 567993654 /nfs/dbraw/zinc/99/36/54/567993654.db2.gz XZUICPGZSNAMBJ-HIFRSBDPSA-N 1 0 374.268 2.213 20 30 FEEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]C1CCN(S(=O)(=O)C(C)(C)C)CC1 ZINC000602636205 568001986 /nfs/dbraw/zinc/00/19/86/568001986.db2.gz WKHVPJJINARALZ-OAHLLOKOSA-N 1 0 371.547 2.268 20 30 FEEDRO C[C@@H]1C[N@@H+](C[C@H](O)COc2ccc3ccccc3c2)C[C@H](C)N1CC#N ZINC000602855573 568002185 /nfs/dbraw/zinc/00/21/85/568002185.db2.gz HKLIKQDWMOXYAB-QKLQHJQFSA-N 1 0 353.466 2.498 20 30 FEEDRO C[C@@H]1C[N@@H+](C[C@H](O)COc2cccc3ccccc32)C[C@H](C)N1CC#N ZINC000602857360 568002707 /nfs/dbraw/zinc/00/27/07/568002707.db2.gz RASXMRUVFZKMCE-SCTDSRPQSA-N 1 0 353.466 2.498 20 30 FEEDRO N#Cc1ccc(C2CC[NH+](C[C@H](O)CC3(C#N)CCOCC3)CC2)nc1 ZINC000602906639 568016513 /nfs/dbraw/zinc/01/65/13/568016513.db2.gz LPNIMEPJXRGWOR-GOSISDBHSA-N 1 0 354.454 2.204 20 30 FEEDRO C[N@H+](CCOCc1ccc(C#N)cc1)C[C@H](O)COc1ccc(C#N)cc1 ZINC000568557177 568051321 /nfs/dbraw/zinc/05/13/21/568051321.db2.gz DSYUAGCKMZXLEZ-FQEVSTJZSA-N 1 0 365.433 2.318 20 30 FEEDRO C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)n1cc(CCC#N)nn1 ZINC000603190676 568072009 /nfs/dbraw/zinc/07/20/09/568072009.db2.gz DAAMQFJQKOGPNQ-INIZCTEOSA-N 1 0 366.469 2.076 20 30 FEEDRO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)n1cc([C@H]2CCC[NH2+]C2)nn1 ZINC000603193907 568072415 /nfs/dbraw/zinc/07/24/15/568072415.db2.gz STGQVPAXKVXUQB-BHEGOAEISA-N 1 0 358.490 2.237 20 30 FEEDRO C[N@@H+]1CCCC[C@@H]1CCC(=O)N[C@H]1CCCc2[nH]c(=O)c(C(N)=O)cc21 ZINC000330297277 568155974 /nfs/dbraw/zinc/15/59/74/568155974.db2.gz KUCGOXQPAQIPJS-DOMZBBRYSA-N 1 0 360.458 2.485 20 30 FEEDRO Cc1nccc([C@@H]2CCC[N@H+](C[C@H](O)COc3ccc(CC#N)cc3)C2)n1 ZINC000603834461 568158760 /nfs/dbraw/zinc/15/87/60/568158760.db2.gz VARWMHPXYCRZHT-MOPGFXCFSA-N 1 0 366.465 2.470 20 30 FEEDRO CCc1nc2ccc(C(=O)NC3(C#N)CC[NH+](C)CC3)cc2nc1CC ZINC000603884696 568176857 /nfs/dbraw/zinc/17/68/57/568176857.db2.gz FPJSRWSAKXEJDL-UHFFFAOYSA-N 1 0 351.454 2.472 20 30 FEEDRO CC[C@@H]1C[N@H+](C)CCN1C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 ZINC000570670548 568494603 /nfs/dbraw/zinc/49/46/03/568494603.db2.gz ABZSIVGBSXQPIZ-HUUCEWRRSA-N 1 0 374.872 2.117 20 30 FEEDRO C[C@H]1CN(Cc2ccccc2C#N)CC[N@@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC000737196441 598899835 /nfs/dbraw/zinc/89/98/35/598899835.db2.gz IZIQPJPJEIXLML-INIZCTEOSA-N 1 0 373.464 2.445 20 30 FEEDRO C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000735420246 598269702 /nfs/dbraw/zinc/26/97/02/598269702.db2.gz NOYSCQZROGXRSX-AWEZNQCLSA-N 1 0 369.473 2.047 20 30 FEEDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc(-c2nn[nH]n2)c1)c1cccc(C#N)c1 ZINC000820414029 599391215 /nfs/dbraw/zinc/39/12/15/599391215.db2.gz WVIRQCHTIZZOOB-OLZOCXBDSA-N 1 0 361.409 2.416 20 30 FEEDRO Cn1cc(C[NH+]2CCC(C)(C#N)CC2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826360259 609174996 /nfs/dbraw/zinc/17/49/96/609174996.db2.gz DAQGXMQOKFFQIM-UHFFFAOYSA-N 1 0 362.441 2.393 20 30 FEEDRO C[C@H](Cc1ccc(Br)cc1F)[NH2+]CCn1cnc(C#N)n1 ZINC000560584874 674601193 /nfs/dbraw/zinc/60/11/93/674601193.db2.gz MKBOWZIMBVOTNH-SNVBAGLBSA-N 1 0 352.211 2.272 20 30 FEEDRO CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)OCC(=O)NC2(C#N)CCCCC2)C1 ZINC000811445997 674604401 /nfs/dbraw/zinc/60/44/01/674604401.db2.gz BOCJVUVLWUPCDF-SFHVURJKSA-N 1 0 353.438 2.085 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000561424409 674664759 /nfs/dbraw/zinc/66/47/59/674664759.db2.gz DWWARQVSVRMVJC-OAHLLOKOSA-N 1 0 361.511 2.396 20 30 FEEDRO COc1cccc(CN(CC[NH+](C)C)S(=O)(=O)CC2(C#N)CCC2)c1 ZINC000562000148 674714659 /nfs/dbraw/zinc/71/46/59/674714659.db2.gz RCMQXGUUOROQQQ-UHFFFAOYSA-N 1 0 365.499 2.082 20 30 FEEDRO C#CC[N@H+](C)CCCNS(=O)(=O)c1ccc(OC2CCCC2)cc1 ZINC000815082161 674913994 /nfs/dbraw/zinc/91/39/94/674913994.db2.gz BVCKGHAPOVQXGF-UHFFFAOYSA-N 1 0 350.484 2.241 20 30 FEEDRO C#CCNC(=O)CC[NH+]1CCC(Oc2cccc(Br)c2)CC1 ZINC000815092639 674916212 /nfs/dbraw/zinc/91/62/12/674916212.db2.gz MYCZJZVOXZGPTH-UHFFFAOYSA-N 1 0 365.271 2.432 20 30 FEEDRO C=CCNC(=O)C[N@H+]1CCCC[C@H]1[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000815203971 674930012 /nfs/dbraw/zinc/93/00/12/674930012.db2.gz PCLXSNXLIIKMNM-HOTGVXAUSA-N 1 0 351.491 2.400 20 30 FEEDRO CSC1(CNS(=O)(=O)c2ccc(C#N)cc2Cl)CC[NH+](C)CC1 ZINC000564411412 675012668 /nfs/dbraw/zinc/01/26/68/675012668.db2.gz TVPSIUASHIPRMV-UHFFFAOYSA-N 1 0 373.931 2.317 20 30 FEEDRO CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)CCN1c1nc(Cl)c(C#N)s1 ZINC001048710959 675013595 /nfs/dbraw/zinc/01/35/95/675013595.db2.gz NANYNTGVWZMQOH-SDDRHHMPSA-N 1 0 367.906 2.093 20 30 FEEDRO CC(C)[C@](C)(CO)[NH2+]CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000564415038 675014009 /nfs/dbraw/zinc/01/40/09/675014009.db2.gz MFYHQIKOBKHIOM-KRWDZBQOSA-N 1 0 356.388 2.170 20 30 FEEDRO CC[C@@H]1[C@@H](NC(=O)C[N@@H+]2CCC[C@H]2C)CCN1c1snc(C)c1C#N ZINC001049005320 675020822 /nfs/dbraw/zinc/02/08/22/675020822.db2.gz OZEVBHKYBRZHGC-UHOFOFEASA-N 1 0 361.515 2.281 20 30 FEEDRO CCC[N@H+](CC)C[C@H](C)NC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000564507137 675029571 /nfs/dbraw/zinc/02/95/71/675029571.db2.gz WNPBUOUHTGLVQN-LBPRGKRZSA-N 1 0 350.850 2.387 20 30 FEEDRO C=C(CC)C[NH2+]CCS(=O)(=O)c1ccccc1S(=O)(=O)CCC ZINC000564860114 675069546 /nfs/dbraw/zinc/06/95/46/675069546.db2.gz NESSAOPBSKYUTC-UHFFFAOYSA-N 1 0 359.513 2.200 20 30 FEEDRO C=CCC(F)(F)C(=O)N(C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000816643618 675070453 /nfs/dbraw/zinc/07/04/53/675070453.db2.gz KQBZQUHIYYNESZ-UHFFFAOYSA-N 1 0 351.441 2.474 20 30 FEEDRO Cn1ccnc1[C@](O)(CC[NH2+]Cc1ccc(C#N)c(F)c1)C(F)(F)F ZINC000817408828 675130110 /nfs/dbraw/zinc/13/01/10/675130110.db2.gz PZHTYDFPTHMYKQ-OAHLLOKOSA-N 1 0 356.323 2.361 20 30 FEEDRO C[NH+]=C(NCc1cc(Cl)c2c(c1)OCCO2)N[C@H]1CCN(C2CC2)C1 ZINC000083093935 670654170 /nfs/dbraw/zinc/65/41/70/670654170.db2.gz QWKDLCVKYHNWET-ZDUSSCGKSA-N 1 0 364.877 2.013 20 30 FEEDRO CN(CCC#N)C[C@@H](O)C[NH2+][C@H]1CCC[C@H]1Oc1cc(F)cc(F)c1 ZINC000570155552 670669299 /nfs/dbraw/zinc/66/92/99/670669299.db2.gz NIBCIUWXTGKUEJ-RYQLBKOJSA-N 1 0 353.413 2.061 20 30 FEEDRO CN(CCC#N)C[C@H](O)C[NH2+][C@H](c1cncc(Br)c1)C1CC1 ZINC000570202435 670677643 /nfs/dbraw/zinc/67/76/43/670677643.db2.gz IUPFOWGZFMWDRM-CVEARBPZSA-N 1 0 367.291 2.091 20 30 FEEDRO C[C@H]1CC[N@H+](CC(=O)N2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)C1 ZINC000570739123 670762007 /nfs/dbraw/zinc/76/20/07/670762007.db2.gz QWCYZKBDYGTJES-MAUKXSAKSA-N 1 0 360.889 2.391 20 30 FEEDRO Cc1ccc(Br)cc1NC(=O)CNC(=[NH2+])N1CCSCC1 ZINC000104183728 670791021 /nfs/dbraw/zinc/79/10/21/670791021.db2.gz PJBIYQIDCZUNRU-UHFFFAOYSA-N 1 0 371.304 2.060 20 30 FEEDRO CCc1ccc(NC(=[NH2+])NCc2ccc(S(=O)(=O)N(C)C)cc2)cc1 ZINC000104175496 670791061 /nfs/dbraw/zinc/79/10/61/670791061.db2.gz FUQMFBQDLXGWNW-UHFFFAOYSA-N 1 0 360.483 2.426 20 30 FEEDRO C=C(Br)CNC(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000105196690 670798929 /nfs/dbraw/zinc/79/89/29/670798929.db2.gz UPRBLJFTWHFOPG-HUUCEWRRSA-N 1 0 373.339 2.095 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+]Cc2ccc(OC(F)F)cc2)nc1 ZINC000571802874 670927077 /nfs/dbraw/zinc/92/70/77/670927077.db2.gz ZFBBTELILYYGHI-UHFFFAOYSA-N 1 0 367.377 2.118 20 30 FEEDRO C=CC(C)(C)C[NH2+]CCS(=O)(=O)c1ccccc1S(=O)(=O)CCC ZINC000571910337 670939905 /nfs/dbraw/zinc/93/99/05/670939905.db2.gz RTCRMUDPFYMLKB-UHFFFAOYSA-N 1 0 373.540 2.446 20 30 FEEDRO C[C@H]([NH3+])C1CCN(S(=O)(=O)c2ccc(C#N)c(Br)c2)CC1 ZINC000573323116 671109267 /nfs/dbraw/zinc/10/92/67/671109267.db2.gz WZFLUJOLLPNABZ-JTQLQIEISA-N 1 0 372.288 2.069 20 30 FEEDRO C[NH+]1CCN(Cc2cccc(C(=O)NCc3ccc(C#N)s3)c2)CC1 ZINC000574308041 671225247 /nfs/dbraw/zinc/22/52/47/671225247.db2.gz RMXNBPMQXNYPEE-UHFFFAOYSA-N 1 0 354.479 2.297 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H]2COc3ccc(F)cc3C2)cc1 ZINC000574394618 671234994 /nfs/dbraw/zinc/23/49/94/671234994.db2.gz JWBCQUAOAOYRAH-INIZCTEOSA-N 1 0 360.410 2.064 20 30 FEEDRO C[C@H](CCO)C1(C[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)CCC1 ZINC000574572237 671256160 /nfs/dbraw/zinc/25/61/60/671256160.db2.gz KLKSWJJGCLUUQC-OAHLLOKOSA-N 1 0 350.484 2.110 20 30 FEEDRO CC(C)(C)c1cc(C#N)c(NC(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)s1 ZINC000575022646 671293302 /nfs/dbraw/zinc/29/33/02/671293302.db2.gz MOPYIPKQQOWREG-BETUJISGSA-N 1 0 360.483 2.209 20 30 FEEDRO CCNc1ccc(Cl)cc1C(=O)Nc1n[nH]c(CCC[NH2+]C)c1C#N ZINC000576327098 671360672 /nfs/dbraw/zinc/36/06/72/671360672.db2.gz PCWDPNLSYTZLLI-UHFFFAOYSA-N 1 0 360.849 2.771 20 30 FEEDRO N#Cc1ccnc(C(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)c1 ZINC000576660663 671384854 /nfs/dbraw/zinc/38/48/54/671384854.db2.gz KMHCEVLPHPDCTK-UHFFFAOYSA-N 1 0 352.360 2.488 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@@H+]2CC2CCCCC2)o1 ZINC000576969773 671407916 /nfs/dbraw/zinc/40/79/16/671407916.db2.gz RVNPUZDYSRLPEO-HNNXBMFYSA-N 1 0 351.472 2.474 20 30 FEEDRO CCCN([C@H]1CC[NH2+]C1)S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000577608979 671607953 /nfs/dbraw/zinc/60/79/53/671607953.db2.gz QNJXTYXHQGAUCJ-LBPRGKRZSA-N 1 0 372.288 2.083 20 30 FEEDRO CN(CCC#N)C[C@@H](O)C[NH2+]C[C@H](c1cccc(Cl)c1)N1CCCC1 ZINC000580408012 671804406 /nfs/dbraw/zinc/80/44/06/671804406.db2.gz GTAJWTUQVOAULJ-RBUKOAKNSA-N 1 0 364.921 2.273 20 30 FEEDRO C[N@H+](CCc1ccccc1)[C@@H]1CCN(S(=O)(=O)CC2(C#N)CCC2)C1 ZINC000580466665 671810124 /nfs/dbraw/zinc/81/01/24/671810124.db2.gz IGQGGBDDDYKOHF-GOSISDBHSA-N 1 0 361.511 2.259 20 30 FEEDRO CSC1(CNC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)CC[NH+](C)CC1 ZINC000581164980 671868961 /nfs/dbraw/zinc/86/89/61/671868961.db2.gz RYUSFCQJEVGLON-QGZVFWFLSA-N 1 0 356.495 2.184 20 30 FEEDRO Cc1nsc(N2CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)CC2)c1C#N ZINC000582155362 671973350 /nfs/dbraw/zinc/97/33/50/671973350.db2.gz FGNQWNASRGEDBO-OAHLLOKOSA-N 1 0 361.515 2.236 20 30 FEEDRO C#CCOc1ccc(Br)cc1C[NH2+]CC(C)(C)S(C)(=O)=O ZINC000125518706 672012802 /nfs/dbraw/zinc/01/28/02/672012802.db2.gz OTZZVLAKDMCQHP-UHFFFAOYSA-N 1 0 374.300 2.374 20 30 FEEDRO COc1cc(CC[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)ccc1C ZINC000582661188 672022676 /nfs/dbraw/zinc/02/26/76/672022676.db2.gz SIWVQHBDIQQIII-UHFFFAOYSA-N 1 0 358.463 2.481 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N[C@@H](C#N)c2cccc(Br)c2)CC1 ZINC000127635249 672039282 /nfs/dbraw/zinc/03/92/82/672039282.db2.gz UGQSGVUFTWYNMU-INIZCTEOSA-N 1 0 360.255 2.475 20 30 FEEDRO CCCCCCNC(=[NH2+])NCCNS(=O)(=O)c1ccc(Cl)s1 ZINC000130674363 672078269 /nfs/dbraw/zinc/07/82/69/672078269.db2.gz GWOFDDCHVOUUOM-UHFFFAOYSA-N 1 0 366.940 2.164 20 30 FEEDRO C[C@@H](CNC(=O)C(=O)Nc1sc(C(C)(C)C)cc1C#N)[NH+]1CCCC1 ZINC000584572313 672200576 /nfs/dbraw/zinc/20/05/76/672200576.db2.gz HXBBYQPHTCNFIQ-LBPRGKRZSA-N 1 0 362.499 2.456 20 30 FEEDRO C[NH+]=C(NCCN1C(=O)Cc2ccccc21)N1CCS[C@@H](C(C)C)C1 ZINC000153781094 672204407 /nfs/dbraw/zinc/20/44/07/672204407.db2.gz IUDJELSYPSAFNZ-QGZVFWFLSA-N 1 0 360.527 2.225 20 30 FEEDRO C[NH+]=C(NCC1(c2ccccc2C)CC1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000158643979 672271150 /nfs/dbraw/zinc/27/11/50/672271150.db2.gz UGKHZPJKCBOXMD-UHFFFAOYSA-N 1 0 363.527 2.111 20 30 FEEDRO CC[NH+]=C(NCCO[C@@H]1CCCC[C@@H]1C)N1CCS(=O)(=O)C(C)(C)C1 ZINC000158642315 672271279 /nfs/dbraw/zinc/27/12/79/672271279.db2.gz RVWQSRMAVZAPOM-JKSUJKDBSA-N 1 0 373.563 2.056 20 30 FEEDRO C[NH+]=C(NCc1ccnc(C)n1)NC[C@@H](O)c1cc2ccccc2s1 ZINC000159079278 672277123 /nfs/dbraw/zinc/27/71/23/672277123.db2.gz WRNDJHMKHWQDIJ-OAHLLOKOSA-N 1 0 355.467 2.398 20 30 FEEDRO CCN(CCNC(=[NH2+])NCc1ccccc1OC)C(=O)OC(C)(C)C ZINC000170914485 672326901 /nfs/dbraw/zinc/32/69/01/672326901.db2.gz DGHLYAZPBBPQPE-UHFFFAOYSA-N 1 0 350.463 2.357 20 30 FEEDRO CN(C)C(=[NH+]Cc1nnc(-c2ccc(Br)cc2)[nH]1)N(C)C ZINC000170914685 672327026 /nfs/dbraw/zinc/32/70/26/672327026.db2.gz UHQINZDFUATGNR-UHFFFAOYSA-N 1 0 351.252 2.213 20 30 FEEDRO C=CCn1c(=S)n(CN2CC[C@@H](C[NH+]3CCOCC3)C2)nc1C1CC1 ZINC000172934841 672346499 /nfs/dbraw/zinc/34/64/99/672346499.db2.gz GWUZWEWOSCCFQT-HNNXBMFYSA-N 1 0 363.531 2.089 20 30 FEEDRO C[C@@H](CNC(=O)c1c(Cl)cc(C#N)cc1Cl)N1CC[NH+](C)CC1 ZINC000611094366 676016870 /nfs/dbraw/zinc/01/68/70/676016870.db2.gz HSNICRZQEYJCDN-NSHDSACASA-N 1 0 355.269 2.231 20 30 FEEDRO C[C@H]([NH2+]CC(=O)Nc1ccc(S(C)(=O)=O)cc1)c1cccc(C#N)c1 ZINC000611387995 676035310 /nfs/dbraw/zinc/03/53/10/676035310.db2.gz BTHOEZNACJINAR-ZDUSSCGKSA-N 1 0 357.435 2.251 20 30 FEEDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000590588225 672592764 /nfs/dbraw/zinc/59/27/64/672592764.db2.gz DTRASINMQZMXOY-YGRLFVJLSA-N 1 0 372.288 2.034 20 30 FEEDRO CC[N@@H+]1CCN(C(=O)COc2cccc(Br)c2C#N)C[C@H]1C ZINC000590684779 672601760 /nfs/dbraw/zinc/60/17/60/672601760.db2.gz MTYZHNSIYZAEAY-GFCCVEGCSA-N 1 0 366.259 2.252 20 30 FEEDRO C[C@@H](NC(=O)C#Cc1ccc(C(F)(F)F)cc1)[C@@H](C)N1CCOCC1 ZINC000191293642 672663074 /nfs/dbraw/zinc/66/30/74/672663074.db2.gz RCFKPJMMNUOCEO-ZIAGYGMSSA-N 1 0 354.372 2.282 20 30 FEEDRO N#Cc1ccc(N2CCN(C(=O)NC[C@H]3CCCC[NH2+]3)CC2)c(Cl)c1 ZINC000591358782 672676056 /nfs/dbraw/zinc/67/60/56/672676056.db2.gz DIRSFYCXJNDKMU-OAHLLOKOSA-N 1 0 361.877 2.185 20 30 FEEDRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2ccc(OCC#N)cc2)cc1 ZINC000193696201 672733706 /nfs/dbraw/zinc/73/37/06/672733706.db2.gz FZHVJCJOCJZBBB-CQSZACIVSA-N 1 0 359.451 2.348 20 30 FEEDRO CC[N@H+](CCSC)CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 ZINC000592200601 672770670 /nfs/dbraw/zinc/77/06/70/672770670.db2.gz AHKLOXLQBCTJDH-OAHLLOKOSA-N 1 0 366.556 2.142 20 30 FEEDRO N#Cc1cc(Br)ccc1N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000611925870 676060389 /nfs/dbraw/zinc/06/03/89/676060389.db2.gz KVGDBUDPHMRWIE-HOTGVXAUSA-N 1 0 350.260 2.356 20 30 FEEDRO C[C@@H]1CCCC[N@@H+]1CC(N)=NOCC(=O)N1CCC[C@H]2CCCC[C@H]21 ZINC000245471476 672819320 /nfs/dbraw/zinc/81/93/20/672819320.db2.gz OAYZCUVZKQHLSG-BRWVUGGUSA-N 1 0 350.507 2.331 20 30 FEEDRO C=CCCS(=O)(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000247061035 672846530 /nfs/dbraw/zinc/84/65/30/672846530.db2.gz VLXCFMZWNWFRBX-QZTJIDSGSA-N 1 0 357.564 2.161 20 30 FEEDRO C[NH+]1CCC2(CC1)CN(C(=O)CSCc1ccc(C#N)cc1)CCO2 ZINC000592898413 672852205 /nfs/dbraw/zinc/85/22/05/672852205.db2.gz HOPLQPHWYFHZHQ-UHFFFAOYSA-N 1 0 359.495 2.115 20 30 FEEDRO N#Cc1csc(CN2CCO[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]32)n1 ZINC000593066075 672871265 /nfs/dbraw/zinc/87/12/65/672871265.db2.gz BIQVTUDUISJASM-MSOLQXFVSA-N 1 0 354.479 2.490 20 30 FEEDRO O=C(NCC[NH2+]Cc1ccc(Br)s1)C1N=CC=CC1=O ZINC000255873008 672897819 /nfs/dbraw/zinc/89/78/19/672897819.db2.gz FKBXLDANKBGBRC-OUKQBFOZSA-N 1 0 356.245 2.127 20 30 FEEDRO CC[NH+]=C(NCc1ccsc1)N1CCN(c2nc(CC)ns2)CC1 ZINC000261774605 672903150 /nfs/dbraw/zinc/90/31/50/672903150.db2.gz OMDYAWHPBSVNDF-UHFFFAOYSA-N 1 0 364.544 2.450 20 30 FEEDRO CCC[C@]1(C)CCCN(C(NC[C@@H]2CCN(S(C)(=O)=O)C2)=[NH+]CC)C1 ZINC000261835892 672904029 /nfs/dbraw/zinc/90/40/29/672904029.db2.gz JLFYGEYCYYGQNP-FUHWJXTLSA-N 1 0 372.579 2.136 20 30 FEEDRO CC[C@@]1(C)CCN(C(NCCN(C)S(=O)(=O)c2cccs2)=[NH+]C)C1 ZINC000261862313 672904436 /nfs/dbraw/zinc/90/44/36/672904436.db2.gz ZMHHALONZSEMBP-INIZCTEOSA-N 1 0 372.560 2.066 20 30 FEEDRO C[NH+]=C(NCCNC(=O)c1ccco1)N1CCSC2(CCCCC2)C1 ZINC000261942845 672906097 /nfs/dbraw/zinc/90/60/97/672906097.db2.gz MWDUBOXVWFUEJX-UHFFFAOYSA-N 1 0 364.515 2.337 20 30 FEEDRO CN(C)C(=O)CNC(=[NH+]C1CCCC1)N1CCC(OC(C)(C)C)CC1 ZINC000262244931 672911887 /nfs/dbraw/zinc/91/18/87/672911887.db2.gz ASBPLFKDHZNYJP-UHFFFAOYSA-N 1 0 352.523 2.242 20 30 FEEDRO C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C)N1CCN(Cc2cccs2)CC1 ZINC000262335997 672913483 /nfs/dbraw/zinc/91/34/83/672913483.db2.gz BVYLYPRUHMNPHR-GVDBMIGSSA-N 1 0 362.543 2.255 20 30 FEEDRO CN(C)C(=O)CNC(N[C@H]1CCOC2(CCCC2)C1)=[NH+]C1CCCC1 ZINC000262326896 672913528 /nfs/dbraw/zinc/91/35/28/672913528.db2.gz UFGDRJAGCAZUPW-INIZCTEOSA-N 1 0 350.507 2.044 20 30 FEEDRO C[C@]1(CNC(NC[C@H]2CCS(=O)(=O)C2)=[NH+]C2CCCC2)CCCS1 ZINC000262363493 672914334 /nfs/dbraw/zinc/91/43/34/672914334.db2.gz HGVSAIWVEVIZGQ-RHSMWYFYSA-N 1 0 373.588 2.185 20 30 FEEDRO C[C@](O)(CNC(=[NH2+])N1CCN(c2ccc(Cl)cc2)CC1)c1ccco1 ZINC000262528922 672917515 /nfs/dbraw/zinc/91/75/15/672917515.db2.gz MLQRXXXRQSUVEV-SFHVURJKSA-N 1 0 362.861 2.277 20 30 FEEDRO [NH2+]=C(NC[C@H]1CCCCN1Cc1cccc(Cl)c1)N1CCOCC1 ZINC000262551907 672917956 /nfs/dbraw/zinc/91/79/56/672917956.db2.gz YQLJICQBPWJLPK-QGZVFWFLSA-N 1 0 350.894 2.341 20 30 FEEDRO C[C@@H]1C[NH+]=C(NC[C@@H](c2c(F)cccc2Cl)N2CCO[C@@H](C)C2)N1 ZINC000262651267 672918636 /nfs/dbraw/zinc/91/86/36/672918636.db2.gz KMXRQHJKLIXWTJ-XUJVJEKNSA-N 1 0 354.857 2.178 20 30 FEEDRO C[C@H]1C[NH+]=C(NC[C@@H](c2ccc(Cl)cc2)N2CCOC(C)(C)C2)N1 ZINC000262653094 672918639 /nfs/dbraw/zinc/91/86/39/672918639.db2.gz KTVVIQVHZQAGSY-BBRMVZONSA-N 1 0 350.894 2.429 20 30 FEEDRO C[NH+](C)[C@H](CNC(=O)Cc1ccc(Br)cc1C#N)C1CC1 ZINC000593415727 672920466 /nfs/dbraw/zinc/92/04/66/672920466.db2.gz UTISSLIIKJIXTM-OAHLLOKOSA-N 1 0 350.260 2.320 20 30 FEEDRO CN(C)C(=[NH+]Cc1ccc(S(C)(=O)=O)c(C(F)(F)F)c1)N(C)C ZINC000262754157 672920564 /nfs/dbraw/zinc/92/05/64/672920564.db2.gz CRIUBMWPQPISAL-UHFFFAOYSA-N 1 0 351.394 2.088 20 30 FEEDRO C[NH+](C)C[C@H]1CN(S(=O)(=O)c2ccsc2C#N)c2ccccc2O1 ZINC000593563082 672944173 /nfs/dbraw/zinc/94/41/73/672944173.db2.gz QAJUJVOSPBHYGX-LBPRGKRZSA-N 1 0 363.464 2.138 20 30 FEEDRO N#Cc1sccc1S(=O)(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000593565839 672945158 /nfs/dbraw/zinc/94/51/58/672945158.db2.gz AEGKELUHWHHBCO-OCCSQVGLSA-N 1 0 351.497 2.257 20 30 FEEDRO CNS(=O)(=O)Cc1ccc(CNC(=[NH2+])Nc2cc(C)cc(C)c2)cc1 ZINC000303778859 673017598 /nfs/dbraw/zinc/01/75/98/673017598.db2.gz KACPTNXMCJSCKA-UHFFFAOYSA-N 1 0 360.483 2.279 20 30 FEEDRO C[C@H]1CN(c2ccc(CNC(=[NH2+])NCCc3cccs3)cn2)CCO1 ZINC000303881695 673018601 /nfs/dbraw/zinc/01/86/01/673018601.db2.gz HUBVRYYPUOWLOM-AWEZNQCLSA-N 1 0 359.499 2.015 20 30 FEEDRO COCCC1(CNC(=[NH2+])N2CCN(C(=O)OC(C)(C)C)CC2)CCC1 ZINC000305095871 673021512 /nfs/dbraw/zinc/02/15/12/673021512.db2.gz SGBXQCOQSGKKME-UHFFFAOYSA-N 1 0 354.495 2.061 20 30 FEEDRO CCC(C)(C)[NH+]1CCN(C(=O)C(=O)Nc2ccc(C#N)cc2Cl)CC1 ZINC000594314802 673056668 /nfs/dbraw/zinc/05/66/68/673056668.db2.gz JGPSMKBQBOLFHW-UHFFFAOYSA-N 1 0 362.861 2.483 20 30 FEEDRO CO[C@H]1C[C@@H](C(=O)N2CCC(NC(=O)C3CCCCC3)CC2)[N@H+](C)C1 ZINC000328915742 673069383 /nfs/dbraw/zinc/06/93/83/673069383.db2.gz ABTSLNRQVYZEQU-IRXDYDNUSA-N 1 0 351.491 2.233 20 30 FEEDRO N#CCCCC[C@@H]([NH3+])C(=O)NC[C@H](O)COc1cccc(Cl)c1Cl ZINC000594431940 673071448 /nfs/dbraw/zinc/07/14/48/673071448.db2.gz SWOZSYTYZZLKAP-WCQYABFASA-N 1 0 374.268 2.261 20 30 FEEDRO CN1C(=O)C[C@H](NC(=O)[C@@H]([NH3+])CCCCC#N)[C@@H]1c1ccc(Cl)cc1 ZINC000594443748 673072458 /nfs/dbraw/zinc/07/24/58/673072458.db2.gz TYVYSKMAVXYOSJ-ZOBUZTSGSA-N 1 0 362.861 2.139 20 30 FEEDRO CN1C(=O)C[C@H](NC(=O)[C@H]([NH3+])CCCCC#N)[C@@H]1c1ccc(Cl)cc1 ZINC000594443746 673072514 /nfs/dbraw/zinc/07/25/14/673072514.db2.gz TYVYSKMAVXYOSJ-VYDXJSESSA-N 1 0 362.861 2.139 20 30 FEEDRO CNC(=O)[C@H]1CN(CC(=O)Nc2nc(C)cs2)C[C@@H]1c1cnn(C)c1 ZINC000329133650 673072938 /nfs/dbraw/zinc/07/29/38/673072938.db2.gz PSFQPSZXOMXURU-OLZOCXBDSA-N 1 0 362.459 2.075 20 30 FEEDRO C=CCOC[C@H]1NC(=O)N(C[C@@H](c2ccc(Cl)cc2)[NH+](C)C)C1=O ZINC000348614249 673116661 /nfs/dbraw/zinc/11/66/61/673116661.db2.gz FDLHPHSAPIVHGK-CABCVRRESA-N 1 0 351.834 2.066 20 30 FEEDRO CC(C)(C)[N@@H+]1CC[C@@H](CNS(=O)(=O)Cc2cc(C#N)ccc2F)C1 ZINC000594790511 673143535 /nfs/dbraw/zinc/14/35/35/673143535.db2.gz MBXQHXQLQNNISI-AWEZNQCLSA-N 1 0 353.463 2.237 20 30 FEEDRO CC(C)(C)[N@@H+]1CC[C@H](CNS(=O)(=O)Cc2ccc(C#N)cc2F)C1 ZINC000594789781 673143563 /nfs/dbraw/zinc/14/35/63/673143563.db2.gz KRZWMFOXJCXYSF-CQSZACIVSA-N 1 0 353.463 2.237 20 30 FEEDRO CCS(=O)(=O)C1(C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1 ZINC000594993779 673183971 /nfs/dbraw/zinc/18/39/71/673183971.db2.gz QDUNTFNCIOHKSD-UHFFFAOYSA-N 1 0 358.467 2.016 20 30 FEEDRO CCN(C(=O)C(=O)Nc1ccccc1SCCC#N)[C@H]1CC[N@H+](C)C1 ZINC000595104752 673193308 /nfs/dbraw/zinc/19/33/08/673193308.db2.gz TXQHLPSSDZCZMK-AWEZNQCLSA-N 1 0 360.483 2.183 20 30 FEEDRO N#CCCC[C@@H]([NH3+])C(=O)N1CCN(c2ccc(Br)cc2)CC1 ZINC000595255938 673214132 /nfs/dbraw/zinc/21/41/32/673214132.db2.gz GUWIZZUUNOEULC-OAHLLOKOSA-N 1 0 365.275 2.119 20 30 FEEDRO N#Cc1sccc1N1CCN(C(=O)C[C@H]([NH3+])Cc2ccccc2)CC1 ZINC000595257801 673214402 /nfs/dbraw/zinc/21/44/02/673214402.db2.gz XBJAXHAGNYKUCY-MRXNPFEDSA-N 1 0 354.479 2.228 20 30 FEEDRO CC(C)[C@@H]1CN(S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)CC[NH2+]1 ZINC000595413181 673246458 /nfs/dbraw/zinc/24/64/58/673246458.db2.gz QQMWIMDOJGEFPJ-ZDUSSCGKSA-N 1 0 361.389 2.196 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CCC[C@@]2(C)C(=O)OCC)CC1 ZINC000595496043 673257893 /nfs/dbraw/zinc/25/78/93/673257893.db2.gz YENLPALDJSKJSC-QFBILLFUSA-N 1 0 351.491 2.448 20 30 FEEDRO C=CC[C@@]1(C(=O)N2CCC[C@H](c3ncc(C(=O)OC)s3)C2)CCC[NH2+]1 ZINC000595992663 673346038 /nfs/dbraw/zinc/34/60/38/673346038.db2.gz HIPITSNDQPQCOI-UGSOOPFHSA-N 1 0 363.483 2.334 20 30 FEEDRO CC(=NNC(=S)NCCC[NH+](C)C)c1cc(Br)ccc1O ZINC000731928061 673348241 /nfs/dbraw/zinc/34/82/41/673348241.db2.gz CQGOWVQRRPFVNT-UHFFFAOYSA-N 1 0 373.320 2.295 20 30 FEEDRO CC(C)(C#N)C(=O)OCC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000733452569 673418115 /nfs/dbraw/zinc/41/81/15/673418115.db2.gz SQRLCBREAMEENS-UHFFFAOYSA-N 1 0 361.467 2.267 20 30 FEEDRO C[C@@H]1CCC[C@H]([NH+]2CCC(N=Nc3ccc(S(N)(=O)=O)cn3)CC2)C1 ZINC000733744389 673436606 /nfs/dbraw/zinc/43/66/06/673436606.db2.gz HWARQIVQGMMPCA-HIFRSBDPSA-N 1 0 365.503 2.171 20 30 FEEDRO N#CC1(c2ccc(C[NH+]3CCC(N4CCCS4(=O)=O)CC3)cc2)CC1 ZINC000597151014 673451523 /nfs/dbraw/zinc/45/15/23/673451523.db2.gz INBZUDFJNCUUGM-UHFFFAOYSA-N 1 0 359.495 2.242 20 30 FEEDRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)COc1ccc(C#N)c(Br)c1 ZINC000597701894 673500747 /nfs/dbraw/zinc/50/07/47/673500747.db2.gz WVXUIQKIODHMGB-IAQYHMDHSA-N 1 0 366.259 2.251 20 30 FEEDRO C=CCOc1cccc(C[NH2+]CC2CCN(S(=O)(=O)CC)CC2)c1 ZINC000542708926 673598904 /nfs/dbraw/zinc/59/89/04/673598904.db2.gz ZDZIPLAVDHNWQL-UHFFFAOYSA-N 1 0 352.500 2.403 20 30 FEEDRO CC(C)(C#N)C[C@H](O)C[NH2+][C@@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 ZINC000598726641 673603770 /nfs/dbraw/zinc/60/37/70/673603770.db2.gz UAAJGOZGPCZFMQ-YPMHNXCESA-N 1 0 353.825 2.475 20 30 FEEDRO Cc1ccc(C#N)cc1S(=O)(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000599104745 673633480 /nfs/dbraw/zinc/63/34/80/673633480.db2.gz XFFJAGLMYVXDOY-CHWSQXEVSA-N 1 0 361.389 2.015 20 30 FEEDRO Cc1cc(C#N)ccc1S(=O)(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000599105560 673633778 /nfs/dbraw/zinc/63/37/78/673633778.db2.gz YUKSYHVQRMPBCR-STQMWFEESA-N 1 0 361.389 2.015 20 30 FEEDRO C[C@H]1CC[C@H](NC(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)C[NH2+]1 ZINC000599605131 673696758 /nfs/dbraw/zinc/69/67/58/673696758.db2.gz SSFWCKMQXYWDHG-FZMZJTMJSA-N 1 0 358.833 2.659 20 30 FEEDRO CN1CCO[C@H]([C@H]([NH2+]C[C@H](O)CC2(C#N)CC2)c2ccc(Cl)cc2)C1 ZINC000600731620 673795255 /nfs/dbraw/zinc/79/52/55/673795255.db2.gz NJKHNSGXNPPGMB-FGTMMUONSA-N 1 0 363.889 2.356 20 30 FEEDRO N#CC1(C[C@@H](O)C[NH2+]CCOc2ncc(Cl)cc2Cl)CCOCC1 ZINC000600732457 673795259 /nfs/dbraw/zinc/79/52/59/673795259.db2.gz ZVYZJSHEZJXPBP-CYBMUJFWSA-N 1 0 374.268 2.428 20 30 FEEDRO CN(C)C[C@H]([NH2+]C[C@@H](O)CN(C)CCC#N)c1ccc(Cl)c(Cl)c1 ZINC000600754786 673796634 /nfs/dbraw/zinc/79/66/34/673796634.db2.gz IICPGSFISZOFAK-PBHICJAKSA-N 1 0 373.328 2.392 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+]CC2(C(F)(F)F)CCCC2)nc1 ZINC000600759098 673796910 /nfs/dbraw/zinc/79/69/10/673796910.db2.gz OOBJZEJEYIKXBY-UHFFFAOYSA-N 1 0 361.389 2.439 20 30 FEEDRO COCCc1ncc(C[NH2+]C2CCN(c3ccc(C#N)cn3)CC2)s1 ZINC000601104978 673826430 /nfs/dbraw/zinc/82/64/30/673826430.db2.gz PCDNXTXEMCIZQJ-UHFFFAOYSA-N 1 0 357.483 2.357 20 30 FEEDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2c(C)cc(F)cc2C#N)C[C@H]1C ZINC000601355528 673847120 /nfs/dbraw/zinc/84/71/20/673847120.db2.gz TXCIVFPXWPNVAT-CJNGLKHVSA-N 1 0 353.463 2.499 20 30 FEEDRO C[NH+]1CCN(c2ccnc(NC(=O)c3ncc(C#N)cc3Cl)c2)CC1 ZINC000601802946 673898299 /nfs/dbraw/zinc/89/82/99/673898299.db2.gz DTLJOQPQFWRXBX-UHFFFAOYSA-N 1 0 356.817 2.006 20 30 FEEDRO CC1(C)CN(Cc2ccc(C#N)cc2Br)CC[N@@H+]1CCO ZINC000614924092 676196685 /nfs/dbraw/zinc/19/66/85/676196685.db2.gz ZMSZDIOSUJLVCV-UHFFFAOYSA-N 1 0 352.276 2.209 20 30 FEEDRO CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)C[N@H+](C)[C@@H]2CCSC2)C1 ZINC000603151525 673918364 /nfs/dbraw/zinc/91/83/64/673918364.db2.gz ANFISKNOODMFRX-QZTJIDSGSA-N 1 0 358.511 2.033 20 30 FEEDRO C[NH2+]Cc1cn([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)nn1 ZINC000603184880 673918497 /nfs/dbraw/zinc/91/84/97/673918497.db2.gz CVMLMABRAQSZJF-NSHDSACASA-N 1 0 358.471 2.399 20 30 FEEDRO C[N@H+](CCNc1ccc(C#N)cc1CS(N)(=O)=O)C1CCCCC1 ZINC000603279705 673921382 /nfs/dbraw/zinc/92/13/82/673921382.db2.gz SSPBRHQGKFHRDP-UHFFFAOYSA-N 1 0 350.488 2.023 20 30 FEEDRO COc1cc[nH+]c(N2CCN(c3cc(C#N)c(Br)cn3)CC2)c1 ZINC000603288971 673922441 /nfs/dbraw/zinc/92/24/41/673922441.db2.gz VLTQLMWDUWUVBR-UHFFFAOYSA-N 1 0 374.242 2.446 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)Cn1c2ccccc2nc1SC(F)F ZINC000818609175 675228578 /nfs/dbraw/zinc/22/85/78/675228578.db2.gz MWLCYCUDRYBGTP-UHFFFAOYSA-N 1 0 366.437 2.422 20 30 FEEDRO CON=C(C(=O)N(C)C(C)(C)C[NH+]1CCCCCC1)c1csc(N)n1 ZINC000822132331 675470249 /nfs/dbraw/zinc/47/02/49/675470249.db2.gz JCGISRTYAYHKRJ-UHFFFAOYSA-N 1 0 367.519 2.189 20 30 FEEDRO COc1cc(CNC(=O)C#Cc2cccs2)ccc1OCC[NH+](C)C ZINC000825568664 675659289 /nfs/dbraw/zinc/65/92/89/675659289.db2.gz WFYXXKLNIRLFQE-UHFFFAOYSA-N 1 0 358.463 2.365 20 30 FEEDRO C#CCO[C@@H](C)C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000827095710 675728778 /nfs/dbraw/zinc/72/87/78/675728778.db2.gz LENJSUNHFBOYHZ-BBRMVZONSA-N 1 0 350.846 2.165 20 30 FEEDRO O=C(C#Cc1cccs1)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000827316446 675747703 /nfs/dbraw/zinc/74/77/03/675747703.db2.gz BJYBRZQGOVAIHQ-IEBWSBKVSA-N 1 0 354.475 2.099 20 30 FEEDRO N#Cc1c(NC(=O)CCN2C[C@H]3C[NH2+]C[C@H]3C2)sc2c1CCCCC2 ZINC000603867339 675801754 /nfs/dbraw/zinc/80/17/54/675801754.db2.gz MYBUEYCRNWPIHC-OKILXGFUSA-N 1 0 358.511 2.368 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2n[nH]cc2Br)CC1 ZINC000606501278 675835851 /nfs/dbraw/zinc/83/58/51/675835851.db2.gz UFTOQZSGJNUKAH-UHFFFAOYSA-N 1 0 356.268 2.012 20 30 FEEDRO C[C@H]1CCC[N@@H+]1CCNC(=O)COc1ccc(C#N)c(Br)c1 ZINC000828840843 675847865 /nfs/dbraw/zinc/84/78/65/675847865.db2.gz WYAKKIDMDOVEKI-LBPRGKRZSA-N 1 0 366.259 2.300 20 30 FEEDRO C#CCN(CC(=O)N1CC[C@@H](C[N@@H+](C)CCC)C1)C(=O)OC(C)(C)C ZINC000829176350 675868648 /nfs/dbraw/zinc/86/86/48/675868648.db2.gz SJNQFWTZOXYNQM-INIZCTEOSA-N 1 0 351.491 2.047 20 30 FEEDRO CC(C)[NH+]1CCC(O)(CNC(=O)NCc2ccc(C#N)c(Cl)c2)CC1 ZINC000619828637 676396500 /nfs/dbraw/zinc/39/65/00/676396500.db2.gz XBDXGQOCTRRTGM-UHFFFAOYSA-N 1 0 364.877 2.246 20 30 FEEDRO C=C(C)[C@@H](CO)[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000677479033 679682244 /nfs/dbraw/zinc/68/22/44/679682244.db2.gz IDZMNRZHMZVZHL-TZMCWYRMSA-N 1 0 368.275 2.432 20 30 FEEDRO C=CCOc1c(Cl)cc(C[NH2+]C2CC(NS(C)(=O)=O)C2)cc1OC ZINC000623515615 676538659 /nfs/dbraw/zinc/53/86/59/676538659.db2.gz INGCBPVFCFISFX-UHFFFAOYSA-N 1 0 374.890 2.083 20 30 FEEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C2CCN(S(=O)(=O)C3CCOCC3)CC2)C1 ZINC000651718013 677446850 /nfs/dbraw/zinc/44/68/50/677446850.db2.gz AFSGEYPNUXSHBD-NVXWUHKLSA-N 1 0 356.532 2.294 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)N(CCCO)Cc1cccc(Cl)c1 ZINC000838623946 680706712 /nfs/dbraw/zinc/70/67/12/680706712.db2.gz YKIDVFZSYHZRGJ-UHFFFAOYSA-N 1 0 351.878 2.189 20 30 FEEDRO CC[N@@H+]1CCC[C@H]1CNC(=S)N1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000761187927 680714239 /nfs/dbraw/zinc/71/42/39/680714239.db2.gz OULSBOUVWAOBDI-ROUUACIJSA-N 1 0 358.511 2.290 20 30 FEEDRO N#C[C@H](c1ccc(Br)cc1)N1CC[NH+](C[C@@H](O)C2CC2)CC1 ZINC000838908557 680727030 /nfs/dbraw/zinc/72/70/30/680727030.db2.gz GGUDRIVCKGLRMJ-IAGOWNOFSA-N 1 0 364.287 2.402 20 30 FEEDRO Cc1nsc(NC(=O)N2CCC(CC[NH+]3CCOCC3)CC2)c1C#N ZINC000839102543 680738043 /nfs/dbraw/zinc/73/80/43/680738043.db2.gz VRWBGBIPFFGBIE-UHFFFAOYSA-N 1 0 363.487 2.289 20 30 FEEDRO C#CCN(Cc1cccc(C[NH+]2CCCCC2)c1)[C@H]1CCS(=O)(=O)C1 ZINC000839516986 680758613 /nfs/dbraw/zinc/75/86/13/680758613.db2.gz PIERYYRISWVIKA-FQEVSTJZSA-N 1 0 360.523 2.295 20 30 FEEDRO C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1nc(CC)c(C(C)(C)C)s1 ZINC000839563738 680762002 /nfs/dbraw/zinc/76/20/02/680762002.db2.gz KCGLJJFHMUUSPU-UHFFFAOYSA-N 1 0 364.515 2.013 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2cnc(C(F)(F)F)nc2)CC1 ZINC000660599630 678362474 /nfs/dbraw/zinc/36/24/74/678362474.db2.gz KYHMOKVOKHGOEH-UHFFFAOYSA-N 1 0 357.380 2.335 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000661142565 678440784 /nfs/dbraw/zinc/44/07/84/678440784.db2.gz WXJFSSHACCDCRF-HZPDHXFCSA-N 1 0 359.499 2.265 20 30 FEEDRO C=C(C[NH+](C)C)C(=O)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000764207677 680802767 /nfs/dbraw/zinc/80/27/67/680802767.db2.gz JPFJUOVEBMMGLA-UHFFFAOYSA-N 1 0 370.280 2.396 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)COc2ccccc2Br)CC1 ZINC000764326563 680807025 /nfs/dbraw/zinc/80/70/25/680807025.db2.gz LVHUQRANQCFNTI-UHFFFAOYSA-N 1 0 365.271 2.432 20 30 FEEDRO C=CC[C@@H]1CCCC[C@H]1NC(=O)N1CCN(CCOCCOC)CC1 ZINC000665384915 678956829 /nfs/dbraw/zinc/95/68/29/678956829.db2.gz RGTXAPPAHCBTFY-QZTJIDSGSA-N 1 0 353.507 2.112 20 30 FEEDRO C#CCC[NH+]1CCC(NS(=O)(=O)c2cc(C)c(OC)cc2C)CC1 ZINC000840952166 680856594 /nfs/dbraw/zinc/85/65/94/680856594.db2.gz TWKHRYJNMVULRD-UHFFFAOYSA-N 1 0 350.484 2.078 20 30 FEEDRO CCOc1ccc(Br)cc1NC(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000841104490 680863653 /nfs/dbraw/zinc/86/36/53/680863653.db2.gz SGDODLLOZRNBNN-BXKDBHETSA-N 1 0 353.220 2.081 20 30 FEEDRO CCOc1ccc(Br)cc1NC(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000841104492 680863679 /nfs/dbraw/zinc/86/36/79/680863679.db2.gz SGDODLLOZRNBNN-JOYOIKCWSA-N 1 0 353.220 2.081 20 30 FEEDRO C=CCNc1ncc(C(=O)N2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)s1 ZINC000747618530 679892681 /nfs/dbraw/zinc/89/26/81/679892681.db2.gz ZGVZMDAKRVYLJI-BFHYXJOUSA-N 1 0 350.488 2.065 20 30 FEEDRO C=CCNc1ncc(C(=O)N2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)s1 ZINC000747618532 679892733 /nfs/dbraw/zinc/89/27/33/679892733.db2.gz ZGVZMDAKRVYLJI-HZSPNIEDSA-N 1 0 350.488 2.065 20 30 FEEDRO C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@H](c1cccc(C#N)c1)C(F)(F)F ZINC000831105347 679924323 /nfs/dbraw/zinc/92/43/23/679924323.db2.gz DPIZATRCZMEJLG-SWLSCSKDSA-N 1 0 355.360 2.246 20 30 FEEDRO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](C)C1CC(NC(=O)OC(C)(C)C)C1 ZINC000831232253 679951652 /nfs/dbraw/zinc/95/16/52/679951652.db2.gz KKCBSCDRDIDKFR-WTNGLUPJSA-N 1 0 352.479 2.028 20 30 FEEDRO C=C(Cl)C(C)(C)C(=O)N1CC[C@@H]2CN(C(=O)[C@H](CC)[NH+](C)C)[C@@H]2C1 ZINC000974593699 679961329 /nfs/dbraw/zinc/96/13/29/679961329.db2.gz XHCASKRYISJCJY-QLFBSQMISA-N 1 0 355.910 2.165 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCc2scnc2C)CC1(C)C ZINC000975055272 680008893 /nfs/dbraw/zinc/00/88/93/680008893.db2.gz KGGOAUQLRDTNMU-HLLBOEOZSA-N 1 0 363.527 2.412 20 30 FEEDRO C[NH+](C)[C@H](CNS(=O)(=O)c1cccc(F)c1C#N)Cc1ccccc1 ZINC000750971550 680143420 /nfs/dbraw/zinc/14/34/20/680143420.db2.gz GAGOBCSVMQFHKO-HNNXBMFYSA-N 1 0 361.442 2.149 20 30 FEEDRO C=C(Br)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3OCC[C@H]3C(C)C)[C@@H]2C1 ZINC000978196493 680171242 /nfs/dbraw/zinc/17/12/42/680171242.db2.gz MANYZEFKXMIPAD-GVRJEKJASA-N 1 0 371.319 2.250 20 30 FEEDRO C=C(Cl)C(C)(C)C(=O)N1C[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)[C@H](C)C1 ZINC000994247763 680230146 /nfs/dbraw/zinc/23/01/46/680230146.db2.gz XHBGLJYYJNFEFC-FVQBIDKESA-N 1 0 369.937 2.460 20 30 FEEDRO C[C@H](Sc1ccc(Br)cc1)C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000834488346 680233767 /nfs/dbraw/zinc/23/37/67/680233767.db2.gz BSEUODPHZKHTDT-OUJBWJOFSA-N 1 0 354.273 2.157 20 30 FEEDRO Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000834498850 680235383 /nfs/dbraw/zinc/23/53/83/680235383.db2.gz CEWAEKWUPNFWQD-GDBMZVCRSA-N 1 0 357.845 2.043 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(C1)CCC[N@@H+](Cc1cnc(C)s1)C2 ZINC000982023807 680263818 /nfs/dbraw/zinc/26/38/18/680263818.db2.gz XYFVXFIBSASSLZ-SJORKVTESA-N 1 0 361.511 2.467 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(C1)CCC[N@@H+](Cc1cc(C)ns1)C2 ZINC000982023734 680263863 /nfs/dbraw/zinc/26/38/63/680263863.db2.gz UFQQBGGINXMPNY-SJORKVTESA-N 1 0 361.511 2.467 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[N@H+](C[C@@H]2CCCCO2)CC1 ZINC000982135258 680270582 /nfs/dbraw/zinc/27/05/82/680270582.db2.gz ZBCRYFJPTQLEKW-FHWLQOOXSA-N 1 0 350.503 2.461 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[N@H+](CC[C@@H]2CCCCO2)CC1 ZINC000982173990 680272569 /nfs/dbraw/zinc/27/25/69/680272569.db2.gz SYRDZRRVNOWEQZ-FHWLQOOXSA-N 1 0 350.503 2.461 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@]2(C)C[N@@H+]([C@H](C)COC)C[C@]2(C)C1 ZINC000982282222 680274536 /nfs/dbraw/zinc/27/45/36/680274536.db2.gz RCNOSBUHEOAXGU-VROUVPMXSA-N 1 0 350.503 2.173 20 30 FEEDRO C=CCN1C(=S)N=NC1c1sc(NC(=O)CC2CC([NH3+])C2)nc1C ZINC000912213776 685331633 /nfs/dbraw/zinc/33/16/33/685331633.db2.gz DWDXBIPMBCPFEL-UHFFFAOYSA-N 1 0 364.500 2.251 20 30 FEEDRO C=C(Cl)C[NH2+]C1CCN(C(=O)[C@@H]2CN(c3ccccn3)C[C@H]2C)CC1 ZINC000996579950 680335327 /nfs/dbraw/zinc/33/53/27/680335327.db2.gz FSOJMQLFXKVAMI-RHSMWYFYSA-N 1 0 362.905 2.487 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([NH2+][C@H](C)c2csnn2)CC1 ZINC000996600305 680336491 /nfs/dbraw/zinc/33/64/91/680336491.db2.gz HQKWNQMHHHZAAZ-XPKDYRNWSA-N 1 0 350.488 2.161 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)NC1CCC([NH2+]Cc2cnns2)CC1 ZINC001026496196 680344855 /nfs/dbraw/zinc/34/48/55/680344855.db2.gz PVRDGQXADBFPTJ-GMEATFMZSA-N 1 0 350.488 2.036 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2ncc(Cl)s2)C1 ZINC001027075235 680354490 /nfs/dbraw/zinc/35/44/90/680354490.db2.gz OMGGXKSMJGDDAH-XQQFMLRXSA-N 1 0 355.891 2.326 20 30 FEEDRO N#Cc1cc(Cl)c(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c(Cl)c1 ZINC000754412290 680354772 /nfs/dbraw/zinc/35/47/72/680354772.db2.gz MGEXWLZYRKJXIP-VXGBXAGGSA-N 1 0 354.237 2.458 20 30 FEEDRO C=C(Br)CN1CCC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001027892949 680363768 /nfs/dbraw/zinc/36/37/68/680363768.db2.gz IFHLBFMOVGGRQR-SOUVJXGZSA-N 1 0 358.324 2.206 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC(C[NH2+]CC2CCOCC2)CC1 ZINC000998149690 680377639 /nfs/dbraw/zinc/37/76/39/680377639.db2.gz YFOBBXLDIQCAFC-OALUTQOASA-N 1 0 350.503 2.222 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+](CCc2ccns2)C1 ZINC001028855770 680385372 /nfs/dbraw/zinc/38/53/72/680385372.db2.gz MKOSHDLJIHZVCB-SZMVWBNQSA-N 1 0 363.527 2.495 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1CC[N@H+](CC2CCOCC2)C1 ZINC001028858263 680385382 /nfs/dbraw/zinc/38/53/82/680385382.db2.gz HALLHFWTYLLMKN-QYZOEREBSA-N 1 0 350.503 2.222 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+](CCc2csc(C)n2)C1 ZINC001028860785 680385971 /nfs/dbraw/zinc/38/59/71/680385971.db2.gz DTODCFVMMCDYDS-SZMVWBNQSA-N 1 0 363.527 2.413 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([C@H](C)[NH2+]Cc2csnn2)CC1 ZINC001029101467 680386434 /nfs/dbraw/zinc/38/64/34/680386434.db2.gz GTDQKIKFMPTLBO-XKQJLSEDSA-N 1 0 364.515 2.236 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]C[C@H]2CCCCO2)C1 ZINC000984904772 680394736 /nfs/dbraw/zinc/39/47/36/680394736.db2.gz DMXOHJUJWDJOES-QQXKLLMISA-N 1 0 350.503 2.411 20 30 FEEDRO N#Cc1ccc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3c[nH]cn3)C2)s1 ZINC000999414818 680402778 /nfs/dbraw/zinc/40/27/78/680402778.db2.gz XHRUIXNBSWXTNL-APHBMKBZSA-N 1 0 355.467 2.227 20 30 FEEDRO C=C(Br)CN1CC[C@@H](N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001033095602 680417831 /nfs/dbraw/zinc/41/78/31/680417831.db2.gz CDAPAGOJNKXHMU-QLFBSQMISA-N 1 0 358.324 2.158 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)NCC1=CC[N@H+](CCc2ccns2)CC1 ZINC001000694599 680437279 /nfs/dbraw/zinc/43/72/79/680437279.db2.gz DTHXQSAPECORMI-MSOLQXFVSA-N 1 0 361.511 2.415 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC2(CC[N@@H+](C[C@@H](C)OC)C2)CC1 ZINC001035185633 680443439 /nfs/dbraw/zinc/44/34/39/680443439.db2.gz FPWUIVGTTHFEKR-KURKYZTESA-N 1 0 350.503 2.317 20 30 FEEDRO C#C[C@H](NC(=O)NCC[N@@H+](C)CCOC)c1ccc(Br)cc1 ZINC000836285923 680445133 /nfs/dbraw/zinc/44/51/33/680445133.db2.gz YWQLTFKTILNINF-HNNXBMFYSA-N 1 0 368.275 2.001 20 30 FEEDRO C#CC[N@@H+](C)CCCNC(=O)N[C@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1 ZINC000836376670 680459845 /nfs/dbraw/zinc/45/98/45/680459845.db2.gz INTGIFBTYDIANM-ZWKOTPCHSA-N 1 0 362.905 2.340 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@@]2(C1)CCC[N@@H+](CCOC)C2 ZINC001040444914 680472256 /nfs/dbraw/zinc/47/22/56/680472256.db2.gz XUNTXGDSZQHHPB-BJLQDIEVSA-N 1 0 350.503 2.319 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)NC[C@H](O)c1ccc(Cl)cc1Cl ZINC000836489257 680476149 /nfs/dbraw/zinc/47/61/49/680476149.db2.gz WMQOFKIHPHPMQM-HNNXBMFYSA-N 1 0 358.269 2.281 20 30 FEEDRO C=C(Cl)C(C)(C)C(=O)N1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)CC[C@@H]2C1 ZINC000986160963 680497972 /nfs/dbraw/zinc/49/79/72/680497972.db2.gz JSLPETIJLAZMQU-PMPSAXMXSA-N 1 0 367.921 2.166 20 30 FEEDRO Cc1nsc(N[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@H]2C)c1C#N ZINC001043324706 680574331 /nfs/dbraw/zinc/57/43/31/680574331.db2.gz KVBFGPCTAGJAQH-MLGOLLRUSA-N 1 0 361.515 2.314 20 30 FEEDRO C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1Nc1ncc(C#N)cc1Cl ZINC001043356045 680576861 /nfs/dbraw/zinc/57/68/61/680576861.db2.gz KKMHFAHGJLXXGD-IUODEOHRSA-N 1 0 361.877 2.350 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1CC[NH+](CC2CCOCC2)CC1 ZINC001006122681 680593995 /nfs/dbraw/zinc/59/39/95/680593995.db2.gz IKWUWZTVSCIZQK-OALUTQOASA-N 1 0 350.503 2.317 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC2(CO1)CC[NH+](CC(=C)Cl)CC2 ZINC001045678185 680638125 /nfs/dbraw/zinc/63/81/25/680638125.db2.gz NGIXGBGZUORGOT-ZACQAIPSSA-N 1 0 368.905 2.317 20 30 FEEDRO C=C(C)CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1OCCO[C@H]1C)C2 ZINC001045944744 680641750 /nfs/dbraw/zinc/64/17/50/680641750.db2.gz HINUOLMDWTWPSE-BJLQDIEVSA-N 1 0 350.503 2.461 20 30 FEEDRO C#CC[N@H+]1CCC[C@H]1COC(=O)c1cccc(NS(=O)(=O)CCC)c1 ZINC000759323576 680642260 /nfs/dbraw/zinc/64/22/60/680642260.db2.gz GLQCZZYDNJUVJA-KRWDZBQOSA-N 1 0 364.467 2.093 20 30 FEEDRO C=CCC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2C[C@H]2c2cnn(C)c2)C1 ZINC001046976084 680655658 /nfs/dbraw/zinc/65/56/58/680655658.db2.gz CLCBDTFQYRUEPN-OWCLPIDISA-N 1 0 352.429 2.173 20 30 FEEDRO C=CCC[NH+]1CCC([C@H]2CCCN(C(=O)[C@H]3OCCO[C@H]3C)C2)CC1 ZINC001047245177 680659235 /nfs/dbraw/zinc/65/92/35/680659235.db2.gz YANXFDXCACAKRS-WDSOQIARSA-N 1 0 350.503 2.317 20 30 FEEDRO Cc1nc(NC(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)sc1Cc1ccc(F)cc1 ZINC000841240489 680870742 /nfs/dbraw/zinc/87/07/42/680870742.db2.gz KNNHIEUBGWUCPV-TZMCWYRMSA-N 1 0 359.430 2.415 20 30 FEEDRO Cc1nc(NC(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)sc1Cc1cccc(F)c1 ZINC000841259935 680871934 /nfs/dbraw/zinc/87/19/34/680871934.db2.gz ZGANSJZRGFWHSI-GXTWGEPZSA-N 1 0 359.430 2.415 20 30 FEEDRO F[C@@H](C(F)(F)F)C(F)(F)Oc1ccc(C=NNC2=[NH+]CCN2)cc1 ZINC000841663312 680905063 /nfs/dbraw/zinc/90/50/63/680905063.db2.gz XSBHTWNFOZMZMU-JTQLQIEISA-N 1 0 354.254 2.441 20 30 FEEDRO N#Cc1ccc(OC[C@@H](O)C[NH2+]C[C@@H](O)c2ccc(Cl)c(F)c2)cc1 ZINC000843096105 680987353 /nfs/dbraw/zinc/98/73/53/680987353.db2.gz XCOAZQSEHSOESO-KBXCAEBGSA-N 1 0 364.804 2.414 20 30 FEEDRO N#Cc1ccc(OC[C@H](O)C[NH2+]C[C@H](O)c2cc(F)cc(Cl)c2)cc1 ZINC000843111649 680988282 /nfs/dbraw/zinc/98/82/82/680988282.db2.gz LPQNNNWEHZEVEZ-AEFFLSMTSA-N 1 0 364.804 2.414 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)C[C@@H](C)n2cc(Br)cn2)CC1 ZINC000843802819 681019238 /nfs/dbraw/zinc/01/92/38/681019238.db2.gz AQGNXNLVPNITSU-CYBMUJFWSA-N 1 0 367.291 2.201 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000843930599 681026676 /nfs/dbraw/zinc/02/66/76/681026676.db2.gz TWZCEIFHLAIDNX-LSDHHAIUSA-N 1 0 351.491 2.140 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCc1ccns1 ZINC001049732655 681038091 /nfs/dbraw/zinc/03/80/91/681038091.db2.gz PJSIOHCRDCGQQS-BDXSIMOUSA-N 1 0 361.511 2.342 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[C@H](C[NH2+][C@H](C)c2csnn2)CC1 ZINC001050368894 681046693 /nfs/dbraw/zinc/04/66/93/681046693.db2.gz YDDFHWPLLQRPEH-IETPZCKNSA-N 1 0 364.515 2.455 20 30 FEEDRO C=C[C@H](C)ON=C(C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000844624277 681068744 /nfs/dbraw/zinc/06/87/44/681068744.db2.gz LCMNFNYAOSELQN-AWEZNQCLSA-N 1 0 353.488 2.232 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCO[C@@H](C[NH2+]CC2CCCCC2)C1 ZINC001051868372 681070753 /nfs/dbraw/zinc/07/07/53/681070753.db2.gz UQLLGXOOLRMZSP-FHWLQOOXSA-N 1 0 350.503 2.365 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)O[C@@H](C)C(=O)NCc2ccccc2Cl)CC1 ZINC000772123636 681086962 /nfs/dbraw/zinc/08/69/62/681086962.db2.gz UKCQWJBXRCZISI-AWEZNQCLSA-N 1 0 362.857 2.233 20 30 FEEDRO CC[C@@H]1[C@@H](C(=O)N2CCN(c3nc(C#N)c(Cl)s3)CC2)CC[N@@H+]1C ZINC001056054817 681152033 /nfs/dbraw/zinc/15/20/33/681152033.db2.gz VFUYYPBDLIBKGA-WCQYABFASA-N 1 0 367.906 2.047 20 30 FEEDRO CC(=NNCC(C)(C)S(C)(=O)=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000774481706 681193562 /nfs/dbraw/zinc/19/35/62/681193562.db2.gz DMTXZCUBTFRHDZ-QGZVFWFLSA-N 1 0 351.516 2.297 20 30 FEEDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(c2ccc(S(N)(=O)=O)cc2C#N)C1 ZINC000774519541 681198180 /nfs/dbraw/zinc/19/81/80/681198180.db2.gz RVHRPOTXHNNCTH-IIAWOOMASA-N 1 0 362.499 2.047 20 30 FEEDRO C#CC[C@@H]1CCCN(C(=O)[C@@H](CC[NH+](C)C)NC(=O)OC(C)(C)C)C1 ZINC000846278422 681217999 /nfs/dbraw/zinc/21/79/99/681217999.db2.gz PLBKLFWMGULSBW-HZPDHXFCSA-N 1 0 351.491 2.093 20 30 FEEDRO C#CCOCC[NH+]1CCC2(CO[C@@H](CNC(=O)OC(C)(C)C)C2)CC1 ZINC000932673555 681284035 /nfs/dbraw/zinc/28/40/35/681284035.db2.gz NGHMASIDURGLST-MRXNPFEDSA-N 1 0 352.475 2.032 20 30 FEEDRO CS(=O)(=O)CCN1CCC([NH2+][C@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000775387178 681303379 /nfs/dbraw/zinc/30/33/79/681303379.db2.gz JYOKTZTXZVPROS-IBGZPJMESA-N 1 0 361.511 2.034 20 30 FEEDRO C[C@H]([NH2+]CCNS(=O)(=O)Cc1ccccc1)c1ccc(C#N)c(F)c1 ZINC000776728284 681430824 /nfs/dbraw/zinc/43/08/24/681430824.db2.gz CKOVXUKXVPBLIL-AWEZNQCLSA-N 1 0 361.442 2.468 20 30 FEEDRO CCOC(=O)N1CCC[C@@H]([C@H](C)[NH2+]CC(=O)Nc2sccc2C#N)C1 ZINC000776824220 681438878 /nfs/dbraw/zinc/43/88/78/681438878.db2.gz UDBASAIBRWKFPS-GXTWGEPZSA-N 1 0 364.471 2.405 20 30 FEEDRO C=CCNS(=O)(=O)c1ccc(C(=O)OC[C@@H](C)[NH+]2CCCCC2)cc1 ZINC000847958358 681455724 /nfs/dbraw/zinc/45/57/24/681455724.db2.gz IDSHUBLZPGPBNK-OAHLLOKOSA-N 1 0 366.483 2.182 20 30 FEEDRO N#Cc1ccc(Br)c(CN2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)c1 ZINC000934264930 681538839 /nfs/dbraw/zinc/53/88/39/681538839.db2.gz JSHIAZMMAJPFAX-DLBZAZTESA-N 1 0 364.287 2.352 20 30 FEEDRO C=CCN1CC[C@H]([NH2+][C@@](C)(CO)c2cccc(Br)c2)C1=O ZINC000934493722 681577953 /nfs/dbraw/zinc/57/79/53/681577953.db2.gz DDALQLTZJILPQT-HOCLYGCPSA-N 1 0 353.260 2.033 20 30 FEEDRO C#CCOc1cccc(Cl)c1C[NH2+]C[C@@H]1CC[C@H](C(=O)N(C)C)O1 ZINC000778178251 681582970 /nfs/dbraw/zinc/58/29/70/681582970.db2.gz KSGSXPXPSJDRIT-SUMWQHHRSA-N 1 0 350.846 2.077 20 30 FEEDRO N#Cc1ccc(OCCC[N@H+]2CC[C@@H](C(=O)NCC(F)(F)F)C2)cc1 ZINC000778231642 681587615 /nfs/dbraw/zinc/58/76/15/681587615.db2.gz GBYXZCBVDYXELW-CQSZACIVSA-N 1 0 355.360 2.328 20 30 FEEDRO C=CCC[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)CC1 ZINC000948547304 681588760 /nfs/dbraw/zinc/58/87/60/681588760.db2.gz WLHZBLYTFWDSFD-KFWWJZLASA-N 1 0 364.408 2.222 20 30 FEEDRO COc1ccc(C#N)cc1C[NH+]1CCC(CN=[S@@](C)(=O)N(C)C)CC1 ZINC000934754904 681622540 /nfs/dbraw/zinc/62/25/40/681622540.db2.gz OAIDFPUZRMTYES-RUZDIDTESA-N 1 0 364.515 2.353 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCOC2(CC[NH+](CC(C)C)CC2)C1 ZINC000949209648 681624583 /nfs/dbraw/zinc/62/45/83/681624583.db2.gz NEEFJEJGEHGSSX-ROUUACIJSA-N 1 0 350.503 2.317 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)Nc2cc(F)c(Cl)c(C(=O)OC)c2)CC1 ZINC000934765866 681627640 /nfs/dbraw/zinc/62/76/40/681627640.db2.gz FNVVEUCKIDYYEK-UHFFFAOYSA-N 1 0 367.808 2.485 20 30 FEEDRO CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)N1CCC(C[NH3+])CC1 ZINC000848939728 681645600 /nfs/dbraw/zinc/64/56/00/681645600.db2.gz BCXAIUXDEYWKJR-OAHLLOKOSA-N 1 0 352.479 2.161 20 30 FEEDRO C=C(Br)CNC(=O)[C@H]1CC[N@@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849512132 681755850 /nfs/dbraw/zinc/75/58/50/681755850.db2.gz YRPCVYFGWNYREO-LSDHHAIUSA-N 1 0 369.307 2.259 20 30 FEEDRO Cc1sc2ncnc(SCCC(=O)NCC#CC[NH+](C)C)c2c1C ZINC000913516896 685479214 /nfs/dbraw/zinc/47/92/14/685479214.db2.gz KWWWZTHFXVDXRJ-UHFFFAOYSA-N 1 0 362.524 2.472 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)N1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@]2(C)C1 ZINC000913803069 685485549 /nfs/dbraw/zinc/48/55/49/685485549.db2.gz MMTRSMOQCRVIRS-BEFAXECRSA-N 1 0 351.491 2.210 20 30 FEEDRO C=CC1(CC(=O)N2CC[N@@H+](CC)C[C@H]2C)CN(C(=O)OC(C)(C)C)C1 ZINC000935930746 681856714 /nfs/dbraw/zinc/85/67/14/681856714.db2.gz WUAUIDFUDSVXSB-OAHLLOKOSA-N 1 0 351.491 2.352 20 30 FEEDRO C[NH+]1CCC([C@@H]2CCN(S(=O)(=O)Cc3csc(C#N)c3)C2)CC1 ZINC000914294050 685502734 /nfs/dbraw/zinc/50/27/34/685502734.db2.gz ULZOQDCAIAYFJF-OAHLLOKOSA-N 1 0 353.513 2.113 20 30 FEEDRO N#Cc1ccc(CNS(=O)(=O)C[C@@]23CC[N@H+](C2)CCC3)cc1Cl ZINC000915310489 685514210 /nfs/dbraw/zinc/51/42/10/685514210.db2.gz RZDQDZXEYNUINU-INIZCTEOSA-N 1 0 353.875 2.117 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1CCC([NH2+]Cc2cnns2)CC1 ZINC000964021679 682155847 /nfs/dbraw/zinc/15/58/47/682155847.db2.gz BRZSKHFXGAPMHU-LCSXWQTCSA-N 1 0 364.515 2.379 20 30 FEEDRO Cc1nn(-c2cc[nH+]cc2)cc1C=NNc1cccc(S(C)(=O)=O)c1 ZINC000783859086 682182166 /nfs/dbraw/zinc/18/21/66/682182166.db2.gz IVWUYLNRJVYKLQ-UHFFFAOYSA-N 1 0 355.423 2.425 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2nc3c(s2)COCC3)CC1 ZINC000917098554 685529671 /nfs/dbraw/zinc/52/96/71/685529671.db2.gz YPTDRKLHGAPPDW-UHFFFAOYSA-N 1 0 350.488 2.056 20 30 FEEDRO C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCC[C@@H]2N2CCCC2=O)C1 ZINC000968960742 682251811 /nfs/dbraw/zinc/25/18/11/682251811.db2.gz AXVCNUKCULJCBV-OAGGEKHMSA-N 1 0 353.894 2.111 20 30 FEEDRO C#CCC[N@@H+](CCOC)C[C@@H](O)COc1ccc(Br)cc1 ZINC000852752859 682336058 /nfs/dbraw/zinc/33/60/58/682336058.db2.gz OLUSPIANIYJGFC-OAHLLOKOSA-N 1 0 356.260 2.161 20 30 FEEDRO COc1ccc(CN(C)C(=O)C#CC2CC[NH2+]CC2)cc1OC(F)F ZINC000852811420 682345909 /nfs/dbraw/zinc/34/59/09/682345909.db2.gz NDOKTGLQFVIICS-UHFFFAOYSA-N 1 0 352.381 2.258 20 30 FEEDRO FC(F)(F)c1nc2n(c1C=NNC1=[NH+][C@@H]3CCCC[C@@H]3N1)CCCC2 ZINC000853324582 682405490 /nfs/dbraw/zinc/40/54/90/682405490.db2.gz LEXHPLBJCPPMCL-PHIMTYICSA-N 1 0 354.380 2.432 20 30 FEEDRO C=C(C)CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3OCC[C@H]3C(C)C)C2)C1 ZINC000972387734 682412494 /nfs/dbraw/zinc/41/24/94/682412494.db2.gz WPSDKWZEZOGJTA-CMKODMSKSA-N 1 0 350.503 2.317 20 30 FEEDRO C#CCN(CC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000853475805 682420010 /nfs/dbraw/zinc/42/00/10/682420010.db2.gz WWVCDZLRAZDCTJ-CVEARBPZSA-N 1 0 351.491 2.093 20 30 FEEDRO C#CCN(CC(=O)OC(C)(C)C)C(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000853475807 682420295 /nfs/dbraw/zinc/42/02/95/682420295.db2.gz WWVCDZLRAZDCTJ-HZPDHXFCSA-N 1 0 351.491 2.093 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@]2(C1)C[N@H+](CC(CC)CC)CCO2 ZINC000972562009 682422368 /nfs/dbraw/zinc/42/23/68/682422368.db2.gz ZGSVTENNDLPEJH-HBFSDRIKSA-N 1 0 350.503 2.317 20 30 FEEDRO C#CC[C@@]1(C(=O)NCC(C)(C)[NH+](C)C)CCCN1C(=O)OC(C)(C)C ZINC000788278295 682516154 /nfs/dbraw/zinc/51/61/54/682516154.db2.gz QMBPKUVBLDVPMM-IBGZPJMESA-N 1 0 351.491 2.236 20 30 FEEDRO COC(=O)CC[NH+]1CCC(=NNC(=S)N[C@H]2CCCC[C@@H]2C)CC1 ZINC000788701240 682551904 /nfs/dbraw/zinc/55/19/04/682551904.db2.gz YNZPCVDVNRLDHB-ZFWWWQNUSA-N 1 0 354.520 2.044 20 30 FEEDRO CC(C)[N@H+](C)Cc1cc(O[C@@H]2CCN(C(=O)CSCC#N)C2)ccn1 ZINC000856658636 682795466 /nfs/dbraw/zinc/79/54/66/682795466.db2.gz CWSBINSKOWCNMV-QGZVFWFLSA-N 1 0 362.499 2.158 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C2CC(N(C)C(=O)OC(C)(C)C)C2)CC1 ZINC000859250494 683064776 /nfs/dbraw/zinc/06/47/76/683064776.db2.gz KSDDPQTUDPROJB-UHFFFAOYSA-N 1 0 351.491 2.399 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)[C@@](C)(O)CSc2cccc(F)c2)CC1 ZINC000796602675 683176509 /nfs/dbraw/zinc/17/65/09/683176509.db2.gz NSXBVUOQGBNISU-IBGZPJMESA-N 1 0 364.486 2.273 20 30 FEEDRO C#CC[N@@H+](CCCN1C(=O)CS/C1=C\C(=O)OC)Cc1ccccc1 ZINC000796633024 683179971 /nfs/dbraw/zinc/17/99/71/683179971.db2.gz QEDBQLTYHHPNRT-AQTBWJFISA-N 1 0 358.463 2.102 20 30 FEEDRO C[NH+]1CCC2(CCCN(S(=O)(=O)Cc3ccc(C#N)cc3F)C2)CC1 ZINC000798465989 683353532 /nfs/dbraw/zinc/35/35/32/683353532.db2.gz BKTQUQFWUCUAJO-UHFFFAOYSA-N 1 0 365.474 2.335 20 30 FEEDRO CCCCCCCS(=O)(=O)N[C@@H]1C[C@]2(C[N@H+](C)[C@@H]2C(C)C)C[C@H]1O ZINC000920274161 683328408 /nfs/dbraw/zinc/32/84/08/683328408.db2.gz MMXZJJLTAMFUSO-BRSBDYLESA-N 1 0 360.564 2.356 20 30 FEEDRO C[C@@H]1CN(C(=O)C(=O)Nc2ccccc2SCCC#N)CC[C@H]1C[NH3+] ZINC000927895509 683336434 /nfs/dbraw/zinc/33/64/34/683336434.db2.gz YHWFTYWANRAISI-KGLIPLIRSA-N 1 0 360.483 2.074 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)c2c(F)ccc(Br)c2OC)CC1 ZINC000928649447 683481330 /nfs/dbraw/zinc/48/13/30/683481330.db2.gz LZOLBDOGHQMWEG-UHFFFAOYSA-N 1 0 369.234 2.424 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)Cc2ccc(OC)c(OC(F)F)c2)CC1 ZINC000928650832 683481561 /nfs/dbraw/zinc/48/15/61/683481561.db2.gz NXGHPMBYURHCHV-UHFFFAOYSA-N 1 0 352.381 2.053 20 30 FEEDRO C#CCN(C(=O)N[C@H](C)c1ccc([S@](C)=O)cc1)C1CC[NH+](C)CC1 ZINC000921648709 683531470 /nfs/dbraw/zinc/53/14/70/683531470.db2.gz RHTAXKUIHHQVFT-BZQUYTCOSA-N 1 0 361.511 2.224 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)NCCSCc2ccnc(Cl)c2)CC1 ZINC000921939438 683620518 /nfs/dbraw/zinc/62/05/18/683620518.db2.gz BHNZVXIKHJNLJS-UHFFFAOYSA-N 1 0 366.918 2.365 20 30 FEEDRO C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cc(C)c(OC)cc1C ZINC000922023392 683639090 /nfs/dbraw/zinc/63/90/90/683639090.db2.gz JACIKNOEMXIMIX-UHFFFAOYSA-N 1 0 350.484 2.030 20 30 FEEDRO O=C1Nc2ccc(OC(F)(F)F)cc2C1=NNCC[NH+]1CCCCC1 ZINC000863080502 683676669 /nfs/dbraw/zinc/67/66/69/683676669.db2.gz CTKRTHRGRSGLSH-UHFFFAOYSA-N 1 0 356.348 2.317 20 30 FEEDRO CNC(=O)[C@@H](C[NH2+]Cc1csc(C#N)c1)Cc1ccc(OC)c(F)c1 ZINC000922207210 683679315 /nfs/dbraw/zinc/67/93/15/683679315.db2.gz IBYPOMQGBGWKIB-CQSZACIVSA-N 1 0 361.442 2.462 20 30 FEEDRO Cc1c[nH+]ccc1NN=C(c1ccc(Cl)c(S(N)(=O)=O)c1)C1CC1 ZINC000863158358 683682317 /nfs/dbraw/zinc/68/23/17/683682317.db2.gz YPZOYGSMAFBKEO-UHFFFAOYSA-N 1 0 364.858 2.339 20 30 FEEDRO C[NH+]1CCN(Cc2ccc(NC(=O)C3(C#N)CCSCC3)cc2)CC1 ZINC000930217628 683695336 /nfs/dbraw/zinc/69/53/36/683695336.db2.gz YGAJDKGQRTXWFD-UHFFFAOYSA-N 1 0 358.511 2.409 20 30 FEEDRO Cn1nccc1[C@@H]1[C@@H]([NH2+]Cc2cc(C#N)cs2)CCC(=O)N1C1CC1 ZINC000922520527 683740435 /nfs/dbraw/zinc/74/04/35/683740435.db2.gz MPKZOZGVOCKAQP-YJBOKZPZSA-N 1 0 355.467 2.338 20 30 FEEDRO C#CC[C@@H](CCOC)[NH2+]C[C@@H](O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000863588751 683746951 /nfs/dbraw/zinc/74/69/51/683746951.db2.gz FPFQDAQVJXDAOJ-DLBZAZTESA-N 1 0 354.491 2.012 20 30 FEEDRO C#CCOc1ccc(Br)cc1C[NH2+]C[C@H]1C[C@@H]2COC[C@@H]2O1 ZINC000922727916 683773609 /nfs/dbraw/zinc/77/36/09/683773609.db2.gz HPOBVMNLWATJRV-UNEWFSDZSA-N 1 0 366.255 2.355 20 30 FEEDRO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NC(=O)NCC(C)(C)CC#N)C2)[C@H]1C(C)C ZINC000922838374 683790731 /nfs/dbraw/zinc/79/07/31/683790731.db2.gz XYJPGZITCJUQSN-YKTARERQSA-N 1 0 350.507 2.095 20 30 FEEDRO C=C(Cl)C[C@H]1NC(=O)N(CC2([NH+]3CCC(OC)CC3)CCCC2)C1=O ZINC000865302795 683964279 /nfs/dbraw/zinc/96/42/79/683964279.db2.gz USPMELQNXWKWSQ-OAHLLOKOSA-N 1 0 369.893 2.473 20 30 FEEDRO C=CCn1c(SCC(=O)NC2CC[NH+](C)CC2)nnc1-c1ccco1 ZINC000865351430 683972336 /nfs/dbraw/zinc/97/23/36/683972336.db2.gz ZKIJTQGHINOKGC-UHFFFAOYSA-N 1 0 361.471 2.027 20 30 FEEDRO N#Cc1cc(F)cc(S(=O)(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)c1 ZINC000866719909 684139681 /nfs/dbraw/zinc/13/96/81/684139681.db2.gz BHCDRHOSIYXTCR-MRXNPFEDSA-N 1 0 351.447 2.336 20 30 FEEDRO N#Cc1cc(F)cc(S(=O)(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)c1 ZINC000866775601 684150799 /nfs/dbraw/zinc/15/07/99/684150799.db2.gz JJXGAVQAQNACAS-HNNXBMFYSA-N 1 0 351.447 2.098 20 30 FEEDRO CC(C)(C)c1csc(NC(=O)NCC[NH+]2CCC(O)CC2)c1C#N ZINC000931532066 684298830 /nfs/dbraw/zinc/29/88/30/684298830.db2.gz MHYXYAFLNLUOCM-UHFFFAOYSA-N 1 0 350.488 2.495 20 30 FEEDRO N#Cc1ccc(CS(=O)(=O)N2CCC([C@@H]3CCC[NH2+]CC3)CC2)cc1 ZINC000923704613 684336035 /nfs/dbraw/zinc/33/60/35/684336035.db2.gz YIYXQZNMJHPMGQ-GOSISDBHSA-N 1 0 361.511 2.490 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)NCC(F)(F)c2cc(F)cc(F)c2)CC1 ZINC000924007127 684387104 /nfs/dbraw/zinc/38/71/04/684387104.db2.gz UTQADXRXAUHXLX-UHFFFAOYSA-N 1 0 357.351 2.453 20 30 FEEDRO C[C@@]1([C@@H]2CCC[N@H+](CCC(=O)Nc3sccc3C#N)C2)COC(=O)N1 ZINC000932026543 684392925 /nfs/dbraw/zinc/39/29/25/684392925.db2.gz SPROSAQYVIFGGD-DYVFJYSZSA-N 1 0 362.455 2.159 20 30 FEEDRO C[N@@H+]1CC[C@H]2CN(S(=O)(=O)c3ccc(C#N)cc3C(F)(F)F)CC[C@H]21 ZINC000867812237 684396780 /nfs/dbraw/zinc/39/67/80/684396780.db2.gz ISFLBMHBUUHVLN-GXTWGEPZSA-N 1 0 373.400 2.292 20 30 FEEDRO COC[C@H](NC(=O)[C@@H]([NH3+])CCCC#N)c1cccc(Br)c1 ZINC000868024095 684440693 /nfs/dbraw/zinc/44/06/93/684440693.db2.gz HBKMNVCYPMVSKQ-KBPBESRZSA-N 1 0 354.248 2.274 20 30 FEEDRO COCCN(CC1CC[NH+](C)CC1)C(=O)c1cc(F)c(C#N)c(F)c1 ZINC000869761594 684652551 /nfs/dbraw/zinc/65/25/51/684652551.db2.gz VUCVZQQCCRBTCV-UHFFFAOYSA-N 1 0 351.397 2.267 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+]CCOC(F)(F)C(F)(F)F)cc1 ZINC000872244193 684931275 /nfs/dbraw/zinc/93/12/75/684931275.db2.gz FJUBXSOUTZJQCW-UHFFFAOYSA-N 1 0 372.315 2.093 20 30 FEEDRO N#Cc1ccc(OC[C@H](O)C[NH2+]C[C@H](O)Cc2cccc(Cl)c2)cc1 ZINC000872246749 684931770 /nfs/dbraw/zinc/93/17/70/684931770.db2.gz FPQTVEVECWVBQO-QZTJIDSGSA-N 1 0 360.841 2.145 20 30 FEEDRO CC[C@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)[C@@H](O)c1ccccc1 ZINC000872250391 684932103 /nfs/dbraw/zinc/93/21/03/684932103.db2.gz HRIRFODRBNYJPE-OALUTQOASA-N 1 0 358.463 2.434 20 30 FEEDRO CC[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)[C@H](O)c1ccccc1 ZINC000872252669 684932512 /nfs/dbraw/zinc/93/25/12/684932512.db2.gz VIHMNFVCQHYVRJ-RTBURBONSA-N 1 0 358.463 2.434 20 30 FEEDRO CCN(C[C@H](C)C#N)S(=O)(=O)N1CCC(C)([NH+]2CCCCC2)CC1 ZINC000872529583 684972850 /nfs/dbraw/zinc/97/28/50/684972850.db2.gz JGEYOKMTBOHURZ-MRXNPFEDSA-N 1 0 356.536 2.053 20 30 FEEDRO C[C@@]12CN(S(=O)(=O)CC3(C#N)CC3)C[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000872597810 684985304 /nfs/dbraw/zinc/98/53/04/684985304.db2.gz PHFXXSWJQSIZFZ-ZWKOTPCHSA-N 1 0 359.495 2.074 20 30 FEEDRO N#CCOc1cc(F)ccc1NC(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000873316217 685109883 /nfs/dbraw/zinc/10/98/83/685109883.db2.gz IQZWJEBZBSCLEN-GXSJLCMTSA-N 1 0 360.311 2.329 20 30 FEEDRO C=CCN1C(=S)N=NC1c1sc(NC(=O)C2=CC[C@@H]([NH3+])C2)nc1C ZINC000876574681 686222702 /nfs/dbraw/zinc/22/27/02/686222702.db2.gz IPLQPJIDQHGVHN-SNVBAGLBSA-N 1 0 362.484 2.171 20 30 FEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@@H](CC(=O)OCC)c1cccc(OC)c1 ZINC000876607819 686227861 /nfs/dbraw/zinc/22/78/61/686227861.db2.gz QRTKGDDAEYMQSS-CABCVRRESA-N 1 0 354.834 2.276 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N1CCN(c2ccc(C(C)=O)cc2F)CC1 ZINC000876713525 686251290 /nfs/dbraw/zinc/25/12/90/686251290.db2.gz KZDCIGVNEAIYGM-HNNXBMFYSA-N 1 0 353.825 2.147 20 30 FEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1ccc(N2CCOCC2)c2ccncc12 ZINC000876714634 686251353 /nfs/dbraw/zinc/25/13/53/686251353.db2.gz AUURZCUABBBQHD-OAHLLOKOSA-N 1 0 360.845 2.480 20 30 FEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1ccc(O[C@H]2CCN(C)C2=O)cc1C ZINC000876899421 686290918 /nfs/dbraw/zinc/29/09/18/686290918.db2.gz XJXKBBNDLMULGW-HIFRSBDPSA-N 1 0 351.834 2.013 20 30 FEEDRO C=CCC[C@@H](CO)[NH2+]Cc1cc(C2CN(C(=O)OC(C)(C)C)C2)no1 ZINC000877575194 686413665 /nfs/dbraw/zinc/41/36/65/686413665.db2.gz KAKHGEMAUABUKG-AWEZNQCLSA-N 1 0 351.447 2.426 20 30 FEEDRO C[N@H+](C[C@@H](O)c1cc(Br)no1)C[C@@H](O)c1cccc(C#N)c1 ZINC000878802077 686663918 /nfs/dbraw/zinc/66/39/18/686663918.db2.gz AQYDCXLASHBPJN-CHWSQXEVSA-N 1 0 366.215 2.008 20 30 FEEDRO COCC[N@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)C1CCOCC1 ZINC000879709249 686893009 /nfs/dbraw/zinc/89/30/09/686893009.db2.gz WMJBYDRANNPQHB-UHFFFAOYSA-N 1 0 351.834 2.278 20 30 FEEDRO NC(=O)C1([NH+]2CCCCC2)CCN(CC#Cc2cccc(Cl)c2)CC1 ZINC000880253160 687022971 /nfs/dbraw/zinc/02/29/71/687022971.db2.gz VLVKLHPOAIPONW-UHFFFAOYSA-N 1 0 359.901 2.497 20 30 FEEDRO COc1c[nH+]ccc1N1CCN(c2ncc(C#N)cc2Br)CC1 ZINC000882291145 687342367 /nfs/dbraw/zinc/34/23/67/687342367.db2.gz BDTITOVWMUSBBT-UHFFFAOYSA-N 1 0 374.242 2.446 20 30 FEEDRO C=CCNS(=O)(=O)c1ccccc1N1CCC2(CC1)CC[NH+](C)CC2 ZINC000882680650 687440822 /nfs/dbraw/zinc/44/08/22/687440822.db2.gz CYHBTDBHPXVNOO-UHFFFAOYSA-N 1 0 363.527 2.463 20 30 FEEDRO C#CC[C@H](CO)[NH2+]Cc1sc(N2CCOCC2)nc1-c1ccccc1 ZINC000883123111 687571943 /nfs/dbraw/zinc/57/19/43/687571943.db2.gz MHLUNDMNBOVMKU-MRXNPFEDSA-N 1 0 357.479 2.121 20 30 FEEDRO C[N@@H+]1CC[C@@H]2CN(C(=O)Nc3ccc(Br)c(C#N)n3)CC[C@@H]21 ZINC000883121965 687572002 /nfs/dbraw/zinc/57/20/02/687572002.db2.gz WMQTYZVMJWCXGC-MFKMUULPSA-N 1 0 364.247 2.274 20 30 FEEDRO N#C[C@H]1C[NH2+]CC12CC(C(=O)NCc1csc(Br)c1)C2 ZINC000884091426 687786587 /nfs/dbraw/zinc/78/65/87/687786587.db2.gz XLUKHHWONDQVJC-CVZZAPKMSA-N 1 0 354.273 2.266 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC(C(=O)OC(C)C)CC2)CC1 ZINC000884131765 687796659 /nfs/dbraw/zinc/79/66/59/687796659.db2.gz UWIUHVAJBRXDNQ-UHFFFAOYSA-N 1 0 351.491 2.400 20 30 FEEDRO N#C[C@H]1C[NH2+]CC12CC(C(=O)NC[C@@H](O)c1ccc(Cl)cc1Cl)C2 ZINC000884134829 687797590 /nfs/dbraw/zinc/79/75/90/687797590.db2.gz SZKXDRUDTJPSJO-APOVPAKTSA-N 1 0 368.264 2.282 20 30 FEEDRO N#C[C@@H]1C[NH2+]CC12CC(C(=O)NCCNc1ncc(Cl)cc1Cl)C2 ZINC000884191564 687813115 /nfs/dbraw/zinc/81/31/15/687813115.db2.gz HIDZOTMYSSOLIH-NOEPWBJOSA-N 1 0 368.268 2.056 20 30 FEEDRO CC(C)(Cc1ccc(Br)cc1)C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000884251274 687829227 /nfs/dbraw/zinc/82/92/27/687829227.db2.gz ZUYGGZFWBRSTDU-GXTWGEPZSA-N 1 0 350.260 2.246 20 30 FEEDRO N#C[C@@H]1C[NH2+]CC12CC(C(=O)N1CCO[C@H](c3cccc(Cl)c3)C1)C2 ZINC000884316403 687845468 /nfs/dbraw/zinc/84/54/68/687845468.db2.gz RGHFIXXKWMCGMW-VOLNDZDFSA-N 1 0 359.857 2.379 20 30 FEEDRO Cc1cc(S(=O)(=O)N2CCN(c3cc[nH+]cc3)C[C@H]2C)ccc1C#N ZINC000885848065 688167747 /nfs/dbraw/zinc/16/77/47/688167747.db2.gz OJAZIYSEAIRTDP-OAHLLOKOSA-N 1 0 356.451 2.161 20 30 FEEDRO N#CC1(C[C@@H](O)C[NH+]2CCN(c3ncnc4ccsc43)CC2)CCC1 ZINC000886019562 688194805 /nfs/dbraw/zinc/19/48/05/688194805.db2.gz WWGMXLWXXKWOJX-CQSZACIVSA-N 1 0 357.483 2.258 20 30 FEEDRO C[C@@H]([NH2+]C[C@@H](O)CC1(C#N)CCC1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000886109883 688204355 /nfs/dbraw/zinc/20/43/55/688204355.db2.gz UHRFZULJCIDMJA-ZBFHGGJFSA-N 1 0 365.499 2.032 20 30 FEEDRO CC[N@H+](CCC(=O)N(C)CCC#N)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000886412984 688249248 /nfs/dbraw/zinc/24/92/48/688249248.db2.gz ZDWJIWWEOCYEIR-HNNXBMFYSA-N 1 0 352.479 2.080 20 30 FEEDRO C#CCN(C(=O)C[C@@H](C)n1cc(Br)cn1)C1CC[NH+](C)CC1 ZINC000886574688 688278391 /nfs/dbraw/zinc/27/83/91/688278391.db2.gz OYUVXEIONWAQFQ-CYBMUJFWSA-N 1 0 367.291 2.153 20 30 FEEDRO C#CCN(C(=O)c1ccc(Br)cc1O)C1CC[NH+](C)CC1 ZINC000886578834 688279293 /nfs/dbraw/zinc/27/92/93/688279293.db2.gz NAPKFKIRSIJLAH-UHFFFAOYSA-N 1 0 351.244 2.324 20 30 FEEDRO C#CCN(C(=O)c1cnn(-c2nc(CC)cs2)c1)C1CC[NH+](C)CC1 ZINC000886579130 688279683 /nfs/dbraw/zinc/27/96/83/688279683.db2.gz ZHORKYYWBOKUMW-UHFFFAOYSA-N 1 0 357.483 2.061 20 30 FEEDRO N#CCCc1ccc(S(=O)(=O)N2C[C@H](C[NH3+])Cc3ccccc32)cc1 ZINC000886889282 688333975 /nfs/dbraw/zinc/33/39/75/688333975.db2.gz OFHBVPJJKODXBG-INIZCTEOSA-N 1 0 355.463 2.469 20 30 FEEDRO C#CCC1([NH2+]CC(=O)Nc2cc(Cl)c(OC)cc2OC)CCOCC1 ZINC000887123281 688369876 /nfs/dbraw/zinc/36/98/76/688369876.db2.gz HZVUDAPVXKTEDB-UHFFFAOYSA-N 1 0 366.845 2.458 20 30 FEEDRO CCN1CC[NH+](C[C@H](C)CNC(=O)Nc2nc(Cl)c(C#N)s2)CC1 ZINC000888412407 688607113 /nfs/dbraw/zinc/60/71/13/688607113.db2.gz JJYKOHCYONHZKR-LLVKDONJSA-N 1 0 370.910 2.063 20 30 FEEDRO N#Cc1sc(NC(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)nc1Cl ZINC000888425770 688610438 /nfs/dbraw/zinc/61/04/38/688610438.db2.gz AITUTGWUYQGWEH-SNVBAGLBSA-N 1 0 355.851 2.043 20 30 FEEDRO N#Cc1sc(NC(=O)N2CCC[C@H]([NH2+]C3CCOCC3)C2)nc1Cl ZINC000888427839 688610886 /nfs/dbraw/zinc/61/08/86/688610886.db2.gz FUANYMCENHEFSQ-NSHDSACASA-N 1 0 369.878 2.433 20 30 FEEDRO C#CCSCC(=O)Nc1ccc(C(=O)N(C)[C@H]2CCC[N@H+](C)C2)cc1 ZINC000889198212 688744199 /nfs/dbraw/zinc/74/41/99/688744199.db2.gz JRHZFBNBKRIHDH-KRWDZBQOSA-N 1 0 359.495 2.158 20 30 FEEDRO C[C@@H]1C[N@@H+](CCCNC(=O)N(C)Cc2cc(C#N)cs2)C[C@H](C)O1 ZINC000891728694 689097935 /nfs/dbraw/zinc/09/79/35/689097935.db2.gz OCWHOPVIPJMXIA-OKILXGFUSA-N 1 0 350.488 2.260 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNCc1nc(Br)nn1C)C(C)C ZINC000894172623 689480316 /nfs/dbraw/zinc/48/03/16/689480316.db2.gz IOEJSFXVBIPUQC-ZDUSSCGKSA-N 1 0 356.312 2.366 20 30 FEEDRO CC(C)(C)OC(=O)N1CCC2(CC([NH2+][C@@H]3CCCN(O)C3=O)C2)CC1 ZINC000895196297 689675517 /nfs/dbraw/zinc/67/55/17/689675517.db2.gz JZOKSPXGXVGHAP-CQSZACIVSA-N 1 0 353.463 2.136 20 30 FEEDRO C=C[C@H](CO)[NH2+]Cc1ccc(N2CCC(C(=O)OC(C)(C)C)CC2)o1 ZINC000895461605 689720995 /nfs/dbraw/zinc/72/09/95/689720995.db2.gz VFEJKAPBGBTFOP-OAHLLOKOSA-N 1 0 350.459 2.474 20 30 FEEDRO C=CCC[C@@H](CCC)[NH2+]CC(=O)Nc1cccc(S(=O)(=O)NC)c1 ZINC000895487576 689725614 /nfs/dbraw/zinc/72/56/14/689725614.db2.gz QFQGJNJJMDFWMO-CQSZACIVSA-N 1 0 353.488 2.258 20 30 FEEDRO CCO/C=C/[C@](O)(C[NH2+]Cc1cnc2ccc(C#N)cn12)C(F)(F)F ZINC000895708972 689758126 /nfs/dbraw/zinc/75/81/26/689758126.db2.gz WUTLAVCDPQVRMX-NFAHFFEMSA-N 1 0 354.332 2.139 20 30 FEEDRO CN(Cc1cc(C#N)cs1)C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000896608981 689905696 /nfs/dbraw/zinc/90/56/96/689905696.db2.gz KRBQUIOIATXQEE-CABCVRRESA-N 1 0 350.513 2.341 20 30 FEEDRO C[C@@H](C[NH2+]CCNc1ccc(C#N)cn1)c1ccc(S(C)(=O)=O)cc1 ZINC000897395744 690016226 /nfs/dbraw/zinc/01/62/26/690016226.db2.gz BOUDNHPTEFOXGV-AWEZNQCLSA-N 1 0 358.467 2.162 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)N1CSC[C@@H]1C(=O)Nc1cccc(F)c1 ZINC000900555869 690531981 /nfs/dbraw/zinc/53/19/81/690531981.db2.gz MCMDSWPGXPMPKJ-OAHLLOKOSA-N 1 0 351.447 2.174 20 30 FEEDRO C=CCN(CC=C)C(=O)[C@@H](C)[NH2+][C@@H]1CCc2ncc(Br)n2C1 ZINC000901727203 690685252 /nfs/dbraw/zinc/68/52/52/690685252.db2.gz DPZGLBDTBQXMSB-CHWSQXEVSA-N 1 0 367.291 2.139 20 30 FEEDRO C[C@H]([NH2+]Cc1ccc(CS(=O)(=O)N(C)C)cc1)c1cc(C#N)ccn1 ZINC000903172991 690860986 /nfs/dbraw/zinc/86/09/86/690860986.db2.gz ICWLSTVMJLIFDN-AWEZNQCLSA-N 1 0 358.467 2.195 20 30 FEEDRO C=CCC[C@H]([NH2+][C@@H]1CCS(=O)(=O)C2(CC(C(=O)OC)C2)C1)C1CC1 ZINC000903451635 690895284 /nfs/dbraw/zinc/89/52/84/690895284.db2.gz HXSQMPZBKVLOML-NDUQDZPOSA-N 1 0 355.500 2.220 20 30 FEEDRO N#Cc1cc(S(=O)(=O)N2CCC(CC[NH3+])CC2)ccc1Br ZINC000903507685 690903846 /nfs/dbraw/zinc/90/38/46/690903846.db2.gz ILPGWLVVJSLSLQ-UHFFFAOYSA-N 1 0 372.288 2.070 20 30 FEEDRO Cc1cc(C#N)cc(C)c1CS(=O)(=O)N(CCC[NH3+])CC(F)(F)F ZINC000903526183 690911980 /nfs/dbraw/zinc/91/19/80/690911980.db2.gz CEIPIOILAFSGQI-UHFFFAOYSA-N 1 0 363.405 2.218 20 30 FEEDRO N#CCCc1ccc(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@@H]([NH3+])C2)cc1 ZINC000903581691 690929664 /nfs/dbraw/zinc/92/96/64/690929664.db2.gz SQHGIVALLNAKTA-KBPBESRZSA-N 1 0 361.389 2.043 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2CC[C@@H]3CC[C@]32C[NH3+])cc1C(F)(F)F ZINC000903589325 690933612 /nfs/dbraw/zinc/93/36/12/690933612.db2.gz OYBHRWFFHVLJQG-FZMZJTMJSA-N 1 0 359.373 2.079 20 30 FEEDRO N#CC1(C[C@H](O)C[NH2+]CC[C@H]2CC[C@@H](C(F)(F)F)O2)CCOCC1 ZINC000905556501 691139967 /nfs/dbraw/zinc/13/99/67/691139967.db2.gz NAMOVJXNZQUQGZ-MJBXVCDLSA-N 1 0 350.381 2.147 20 30 FEEDRO N#CCc1ccc(OC[C@H](O)C[NH2+]CCc2nc3c(s2)CCC3)cc1 ZINC000905570617 691143493 /nfs/dbraw/zinc/14/34/93/691143493.db2.gz ZMQFMOQSDXGQLJ-OAHLLOKOSA-N 1 0 357.479 2.270 20 30 FEEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000906717882 691306075 /nfs/dbraw/zinc/30/60/75/691306075.db2.gz SVLJBOBLHRHHTE-RMRHIDDWSA-N 1 0 358.467 2.028 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)N1CCN(c2cc(C(F)(F)F)ccn2)CC1 ZINC000907450567 691485793 /nfs/dbraw/zinc/48/57/93/691485793.db2.gz KDVLPNBMXSXKND-UHFFFAOYSA-N 1 0 356.392 2.257 20 30 FEEDRO C=CCNc1ncc(C(=O)N(CCCOC)C2CC[NH+](C)CC2)s1 ZINC000908294969 691653515 /nfs/dbraw/zinc/65/35/15/691653515.db2.gz UHEACFIPWYHRIA-UHFFFAOYSA-N 1 0 352.504 2.314 20 30 FEEDRO CN(C)c1ccc([C@@H](CNS(=O)(=O)CC(C)(C)CC#N)[NH+](C)C)cc1 ZINC000908460824 691683721 /nfs/dbraw/zinc/68/37/21/691683721.db2.gz ZPWKDTXGYSIEHI-QGZVFWFLSA-N 1 0 366.531 2.215 20 30 FEEDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc(OC)c(C#N)cn1)C2 ZINC001164808535 720070711 /nfs/dbraw/zinc/07/07/11/720070711.db2.gz HYSYXBTXLBMQCX-FXAWDEMLSA-N 1 0 356.470 2.147 20 30 FEEDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(OC)c(C#N)cc1F)C2 ZINC001164814382 720158349 /nfs/dbraw/zinc/15/83/49/720158349.db2.gz FYRNBHCHXHZGGE-JXFKEZNVSA-N 1 0 374.460 2.286 20 30 FEEDRO Cc1ccc(C#N)c(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164822632 720303561 /nfs/dbraw/zinc/30/35/61/720303561.db2.gz NTDMVMAYUXPQIQ-RTBURBONSA-N 1 0 367.497 2.173 20 30 FEEDRO CCc1nc(C#N)c(C#N)nc1N1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164724806 720474269 /nfs/dbraw/zinc/47/42/69/720474269.db2.gz HVLJDZZRCGMRBC-MOPGFXCFSA-N 1 0 359.437 2.031 20 30 FEEDRO Cc1cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc(C#N)n1 ZINC001164837374 720556195 /nfs/dbraw/zinc/55/61/95/720556195.db2.gz MCBWXZKHLRHNKY-OKZBNKHCSA-N 1 0 365.485 2.231 20 30 FEEDRO Cc1cnc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)c(C#N)n1 ZINC001164844181 720587408 /nfs/dbraw/zinc/58/74/08/720587408.db2.gz ZQEDSWZJZUFGBN-YQVWRLOYSA-N 1 0 365.485 2.231 20 30 FEEDRO Cc1cc(C#N)c(N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)nc1C ZINC001164764244 721111305 /nfs/dbraw/zinc/11/13/05/721111305.db2.gz HLRLWWOUKOROGR-PKOBYXMFSA-N 1 0 350.470 2.262 20 30 FEEDRO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2C(F)(F)c1cnc(Cl)c(C#N)c1 ZINC001164921903 721864785 /nfs/dbraw/zinc/86/47/85/721864785.db2.gz DNOYTQRMUQNXCC-CABCVRRESA-N 1 0 369.847 2.366 20 30 FEEDRO N#Cc1cc(F)cnc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164981560 722105310 /nfs/dbraw/zinc/10/53/10/722105310.db2.gz LSIOBGVRRSOFAP-LPHOPBHVSA-N 1 0 367.428 2.215 20 30 FEEDRO Cc1cc(C#N)cc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164980355 722151114 /nfs/dbraw/zinc/15/11/14/722151114.db2.gz NEEFZUIUTZFUSB-WOJBJXKFSA-N 1 0 363.465 2.384 20 30 FEEDRO COc1cccc([C@H](CNC(=O)COc2ccc(C#N)cc2)[NH+](C)C)c1 ZINC000018016989 539644770 /nfs/dbraw/zinc/64/47/70/539644770.db2.gz DTMAUXWZQDTNOB-IBGZPJMESA-N 1 0 353.422 2.365 20 30 FEEDRO CC(C)C[C@H](CNC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1)[NH+](C)C ZINC000041323341 540017277 /nfs/dbraw/zinc/01/72/77/540017277.db2.gz URHFAHOMZBUNBW-CQSZACIVSA-N 1 0 350.850 2.243 20 30 FEEDRO CCN1CC[NH+](CCCCNC(=O)N(C)Cc2cccc(C#N)c2)CC1 ZINC000046753577 540269391 /nfs/dbraw/zinc/26/93/91/540269391.db2.gz OMRYHCVBIPSONA-UHFFFAOYSA-N 1 0 357.502 2.117 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000047287132 540301808 /nfs/dbraw/zinc/30/18/08/540301808.db2.gz ZKNIWRHHNJHVLJ-UHFFFAOYSA-N 1 0 367.409 2.253 20 30 FEEDRO C[N@H+](CCCNC(=O)C(=O)Nc1ccc(C#N)cc1)Cc1ccccc1 ZINC000049305182 540387146 /nfs/dbraw/zinc/38/71/46/540387146.db2.gz VKRSYQZOUBMCOH-UHFFFAOYSA-N 1 0 350.422 2.135 20 30 FEEDRO CCCCNC(=O)C1CC[NH+](C[C@@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000051182654 540425932 /nfs/dbraw/zinc/42/59/32/540425932.db2.gz KXMZCPSDNSWZFR-LJQANCHMSA-N 1 0 373.497 2.121 20 30 FEEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000054877418 540615775 /nfs/dbraw/zinc/61/57/75/540615775.db2.gz QUUSFFMQTLQMHJ-UHFFFAOYSA-N 1 0 372.469 2.084 20 30 FEEDRO N#Cc1ccc(OCC(=O)NC2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000057166281 540774410 /nfs/dbraw/zinc/77/44/10/540774410.db2.gz NXNOZYUEXLAISD-UHFFFAOYSA-N 1 0 350.422 2.113 20 30 FEEDRO COc1cc(C#N)ccc1OCC(=O)N[C@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000060016031 540867438 /nfs/dbraw/zinc/86/74/38/540867438.db2.gz NPAZCFPJZSRALB-BZUAXINKSA-N 1 0 359.470 2.428 20 30 FEEDRO C[C@H](CNC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1)C[NH+]1CCCCC1 ZINC000065874218 541268124 /nfs/dbraw/zinc/26/81/24/541268124.db2.gz QLFNOBLNEHZRSI-CYBMUJFWSA-N 1 0 362.861 2.388 20 30 FEEDRO N#CCCCOc1cccc(NC(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)c1 ZINC000066223080 541292798 /nfs/dbraw/zinc/29/27/98/541292798.db2.gz BSVRPHHIEGCMRI-KRWDZBQOSA-N 1 0 370.453 2.004 20 30 FEEDRO C[C@@H](CNC(=O)c1ccc(-n2ncc(C#N)c2N)cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000066240563 541294556 /nfs/dbraw/zinc/29/45/56/541294556.db2.gz FQAJMPQLRLYNFH-CABCVRRESA-N 1 0 366.469 2.176 20 30 FEEDRO CC[C@@H](C)[N@H+](C)CCNC(=O)N1CCN(c2cccc(F)c2C#N)CC1 ZINC000066196123 541289279 /nfs/dbraw/zinc/28/92/79/541289279.db2.gz WCFTYBOLYGCJOC-OAHLLOKOSA-N 1 0 361.465 2.259 20 30 FEEDRO N#CCCN(C(=O)CCC(=O)N1CCC[N@@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000066622606 541349032 /nfs/dbraw/zinc/34/90/32/541349032.db2.gz SLBVXDZULNBJTA-IBGZPJMESA-N 1 0 368.481 2.410 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)Nc2cccc(C(=O)NCCCOCC)c2)CC1 ZINC000067202772 541432104 /nfs/dbraw/zinc/43/21/04/541432104.db2.gz JBMRESXTJKVHLJ-UHFFFAOYSA-N 1 0 371.481 2.127 20 30 FEEDRO CCOc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000067345259 541447184 /nfs/dbraw/zinc/44/71/84/541447184.db2.gz RCMSJRODERWVFN-LSDHHAIUSA-N 1 0 372.469 2.132 20 30 FEEDRO CC[NH+]1CCC(NC(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CC1 ZINC000542955801 541508129 /nfs/dbraw/zinc/50/81/29/541508129.db2.gz NLLRNHQKHZXTFI-UHFFFAOYSA-N 1 0 356.405 2.489 20 30 FEEDRO CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCC(C(=O)NC2CCCCC2)CC1 ZINC000068335389 541578162 /nfs/dbraw/zinc/57/81/62/541578162.db2.gz MBKMECGDUNOKMY-INIZCTEOSA-N 1 0 362.518 2.155 20 30 FEEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)CCOC[C@@H]1CCCO1 ZINC000068310175 541575317 /nfs/dbraw/zinc/57/53/17/541575317.db2.gz OFMUPQQPNSCWQG-IBGZPJMESA-N 1 0 359.470 2.034 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N[C@H](C)c2cccc(N3CCOC3=O)c2)CC1 ZINC000068713841 541621832 /nfs/dbraw/zinc/62/18/32/541621832.db2.gz CCOUGFGZXDXNIU-OAHLLOKOSA-N 1 0 355.438 2.166 20 30 FEEDRO CC[NH+]1CCC(NC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)CC1 ZINC000069385983 541682479 /nfs/dbraw/zinc/68/24/79/541682479.db2.gz GIWDWWWAZQCXDM-QGZVFWFLSA-N 1 0 373.476 2.450 20 30 FEEDRO C[NH+](C)[C@@H]1CCCN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)C1 ZINC000069473479 541688664 /nfs/dbraw/zinc/68/86/64/541688664.db2.gz WMFYKDANSNCCQG-IAGOWNOFSA-N 1 0 373.476 2.402 20 30 FEEDRO CCc1ccccc1NC(=O)CN1CC[NH+](CCCSCC#N)CC1 ZINC000072513406 541825103 /nfs/dbraw/zinc/82/51/03/541825103.db2.gz LQALTBXQYANBBC-UHFFFAOYSA-N 1 0 360.527 2.452 20 30 FEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1cnn(-c2ncccn2)c1)C(C)C ZINC000072561458 541832445 /nfs/dbraw/zinc/83/24/45/541832445.db2.gz GMWCJSCTPRXPID-KRWDZBQOSA-N 1 0 369.473 2.482 20 30 FEEDRO C[C@@H]1CCN(CC(=O)N(CCC#N)CCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000072895660 541889801 /nfs/dbraw/zinc/88/98/01/541889801.db2.gz OLSFSCFXEIWFCH-LJQANCHMSA-N 1 0 367.497 2.239 20 30 FEEDRO CC(C)[NH+]1CCC(C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)CC1 ZINC000073681386 541986543 /nfs/dbraw/zinc/98/65/43/541986543.db2.gz SXGZFZBKGBCROY-FQEVSTJZSA-N 1 0 354.498 2.343 20 30 FEEDRO C[NH+]=C(NCCc1nc(C)no1)N(C)Cc1ccccc1Br ZINC000073742461 541993976 /nfs/dbraw/zinc/99/39/76/541993976.db2.gz AOZQATOBGBRFOY-UHFFFAOYSA-N 1 0 366.263 2.390 20 30 FEEDRO CCC[N@@H+]1CCCN(C(=O)CCc2c(C)nc3c(C#N)cnn3c2C)CC1 ZINC000074073705 542034460 /nfs/dbraw/zinc/03/44/60/542034460.db2.gz FTKVHZDGXKJOOG-UHFFFAOYSA-N 1 0 368.485 2.095 20 30 FEEDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCN(c2cccc(F)c2C#N)CC1 ZINC000074490364 542090323 /nfs/dbraw/zinc/09/03/23/542090323.db2.gz GMBPLWIOMVGCKD-OAHLLOKOSA-N 1 0 359.449 2.013 20 30 FEEDRO COCC[N@H+](C)CCOc1cccc(CNC(=O)c2ccc(C#N)cc2)c1 ZINC000075579351 542189755 /nfs/dbraw/zinc/18/97/55/542189755.db2.gz RMTXOXJILXRZAA-UHFFFAOYSA-N 1 0 367.449 2.445 20 30 FEEDRO C[NH+]1CCC(C#N)(NC(=O)COc2ccc(Cl)c3cccnc23)CC1 ZINC000077040080 542343909 /nfs/dbraw/zinc/34/39/09/542343909.db2.gz UKNLAVLYDAUMLZ-UHFFFAOYSA-N 1 0 358.829 2.371 20 30 FEEDRO C[NH+]1CCN(c2ccc(CNC(=O)Nc3ccc(F)c(C#N)c3)cn2)CC1 ZINC000077499842 542388917 /nfs/dbraw/zinc/38/89/17/542388917.db2.gz OURMJTJMVSGPSJ-UHFFFAOYSA-N 1 0 368.416 2.166 20 30 FEEDRO C#CCN(Cc1ccc(F)cc1)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000077671162 542406361 /nfs/dbraw/zinc/40/63/61/542406361.db2.gz VLPPKUPOYCKKEY-SFHVURJKSA-N 1 0 373.472 2.471 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)NCc2nc(C)c(C(=O)OCC)s2)CC1 ZINC000078331640 542455398 /nfs/dbraw/zinc/45/53/98/542455398.db2.gz DMNNZAYGLJURNO-UHFFFAOYSA-N 1 0 366.487 2.078 20 30 FEEDRO C[C@@](C#N)(NC(=O)CNc1ccccc1C[NH+]1CCC(CO)CC1)C1CC1 ZINC000078405018 542460457 /nfs/dbraw/zinc/46/04/57/542460457.db2.gz DJMRYVZHTWDBSK-NRFANRHFSA-N 1 0 370.497 2.111 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)NCc1nnc2ccccn21)C(C)C ZINC000079265238 542509140 /nfs/dbraw/zinc/50/91/40/542509140.db2.gz IZEQVISUCLRJRN-MRXNPFEDSA-N 1 0 356.474 2.227 20 30 FEEDRO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)OC(C)(C)C)C2 ZINC000802010691 674158578 /nfs/dbraw/zinc/15/85/78/674158578.db2.gz HCORGUSACUOARM-HNAYVOBHSA-N 1 0 351.491 2.400 20 30 FEEDRO Cc1cccc(N2CC[NH+](CCC(=O)N[C@@]3(C#N)CCSC3)CC2)c1 ZINC000081031402 542626105 /nfs/dbraw/zinc/62/61/05/542626105.db2.gz UYKGQULEPNWBLR-LJQANCHMSA-N 1 0 358.511 2.023 20 30 FEEDRO N#Cc1ccc(CN2CCN(C(=O)[C@H]3C[C@H]4CCCC[N@@H+]4C3)CC2)cc1 ZINC000081112046 542633573 /nfs/dbraw/zinc/63/35/73/542633573.db2.gz LHADWXJYUXRXHN-VQTJNVASSA-N 1 0 352.482 2.077 20 30 FEEDRO CCOCCCNC(=[NH2+])NCCc1nc(-c2cccc(Cl)c2)no1 ZINC000081068981 542628260 /nfs/dbraw/zinc/62/82/60/542628260.db2.gz KMPZSSSZJZCSSO-UHFFFAOYSA-N 1 0 351.838 2.263 20 30 FEEDRO C[C@H]1CCC[C@@](C#N)(NC(=O)CC[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000081410577 542655922 /nfs/dbraw/zinc/65/59/22/542655922.db2.gz YNNADFBKPFAUIA-FXAWDEMLSA-N 1 0 355.486 2.182 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@@](O)(C(F)(F)F)C1)C(C)C ZINC000081478409 542659711 /nfs/dbraw/zinc/65/97/11/542659711.db2.gz DPBHJHZCEDMXDL-ZBFHGGJFSA-N 1 0 363.424 2.394 20 30 FEEDRO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCc3ccccc3C2)c([N+](=O)[O-])c1 ZINC000084859978 542722197 /nfs/dbraw/zinc/72/21/97/542722197.db2.gz WLMFAWDNVMUADR-QGZVFWFLSA-N 1 0 353.378 2.264 20 30 FEEDRO C[NH+]=C(NCC1(C(=O)N(C)C)CCCC1)N[C@H]1CCOc2ccccc21 ZINC000088869309 542757945 /nfs/dbraw/zinc/75/79/45/542757945.db2.gz BJBSMGYNRRLJCE-INIZCTEOSA-N 1 0 358.486 2.324 20 30 FEEDRO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+](C)C[C@@H](C)c2ccccc2)CC1 ZINC000091554702 542812578 /nfs/dbraw/zinc/81/25/78/542812578.db2.gz NXGUWFMYAZWEDY-UYAOXDASSA-N 1 0 356.514 2.414 20 30 FEEDRO COc1ccc(C[N@@H+]2CCC[C@H](N3CCNC3=O)C2)cc1OCCCC#N ZINC000092189161 542848313 /nfs/dbraw/zinc/84/83/13/542848313.db2.gz LDLFGKIFDLVHNY-KRWDZBQOSA-N 1 0 372.469 2.367 20 30 FEEDRO C[N@@H+](Cc1cnc2ccc(C#N)cn12)C[C@@H](O)COCc1ccccc1 ZINC000092472244 542865304 /nfs/dbraw/zinc/86/53/04/542865304.db2.gz SUCVTVRCVUWTMB-LJQANCHMSA-N 1 0 350.422 2.215 20 30 FEEDRO N#Cc1ccc(N2CCN(C(=O)NC[C@H]3CC[N@@H+](C4CC4)C3)CC2)c(F)c1 ZINC000101792449 543046258 /nfs/dbraw/zinc/04/62/58/543046258.db2.gz RSVRWVOLFBXQKT-MRXNPFEDSA-N 1 0 371.460 2.013 20 30 FEEDRO C[C@H]1CCC[N@H+](CCCCNC(=O)C(=O)Nc2ccc(F)c(C#N)c2)C1 ZINC000102962938 543087074 /nfs/dbraw/zinc/08/70/74/543087074.db2.gz BAPZZOSFWAHQEP-AWEZNQCLSA-N 1 0 360.433 2.264 20 30 FEEDRO N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCCC[C@H]1CC(N)=O)CCC2 ZINC000103471732 543109519 /nfs/dbraw/zinc/10/95/19/543109519.db2.gz MUYRELBUKQIVGQ-LBPRGKRZSA-N 1 0 360.483 2.167 20 30 FEEDRO C[NH+](C)Cc1ccc(CNC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)cc1 ZINC000104136637 543124328 /nfs/dbraw/zinc/12/43/28/543124328.db2.gz LJJFYZABNFGTQK-UHFFFAOYSA-N 1 0 374.448 2.318 20 30 FEEDRO C#CCOc1cccc(NC(=O)C(=O)NCCCC[N@H+]2CCCC[C@@H]2C)c1 ZINC000108606931 543297111 /nfs/dbraw/zinc/29/71/11/543297111.db2.gz IDNGKHNQSWHRIP-KRWDZBQOSA-N 1 0 371.481 2.408 20 30 FEEDRO CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccccc2SCCC#N)C1 ZINC000108611363 543298180 /nfs/dbraw/zinc/29/81/80/543298180.db2.gz FMAFKFRJBSZSTD-OAHLLOKOSA-N 1 0 374.510 2.479 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)[C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC000108787095 543303560 /nfs/dbraw/zinc/30/35/60/543303560.db2.gz OJMLLHUYWUJHOZ-LJQANCHMSA-N 1 0 370.497 2.233 20 30 FEEDRO COc1cccc([C@@H](CNC(=O)C2(C#N)CCOCC2)[NH+]2CCCC2)c1 ZINC000109138460 543315826 /nfs/dbraw/zinc/31/58/26/543315826.db2.gz KHUBFDSAWJAXPQ-GOSISDBHSA-N 1 0 357.454 2.269 20 30 FEEDRO C=CC1CC[NH+]([C@H](C)C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)CC1 ZINC000111258248 543389977 /nfs/dbraw/zinc/38/99/77/543389977.db2.gz VWGOVBVSSKMWCY-CQSZACIVSA-N 1 0 365.499 2.162 20 30 FEEDRO C[C@@H]([NH2+]C1(CNS(=O)(=O)CCCC#N)CCOCC1)c1ccccc1 ZINC000113306267 543483911 /nfs/dbraw/zinc/48/39/11/543483911.db2.gz CWAHBRDVIKMDMJ-MRXNPFEDSA-N 1 0 365.499 2.110 20 30 FEEDRO CCOc1ccc(N(CCC#N)C(=O)CN2CC[C@@H](C[NH+](C)C)C2)cc1 ZINC000113515466 543489975 /nfs/dbraw/zinc/48/99/75/543489975.db2.gz NBCGFNAQXXAWRZ-KRWDZBQOSA-N 1 0 358.486 2.215 20 30 FEEDRO C=CCN(C)C(=O)C(=O)Nc1cc(Cl)ccc1N1CC[NH+](CC)CC1 ZINC000121392682 543693567 /nfs/dbraw/zinc/69/35/67/543693567.db2.gz HNIBOBWFZPZSEF-UHFFFAOYSA-N 1 0 364.877 2.065 20 30 FEEDRO C=CCN1CCCN(S(=O)(=O)c2ccc(Br)s2)CC1 ZINC000121543991 543696637 /nfs/dbraw/zinc/69/66/37/543696637.db2.gz YNJDROXQHDFVDV-UHFFFAOYSA-N 1 0 365.318 2.393 20 30 FEEDRO C[C@@H]1C[N@@H+](CC2CCN(C(=O)Nc3ccn(CCC#N)n3)CC2)C[C@H](C)O1 ZINC000118894248 543660774 /nfs/dbraw/zinc/66/07/74/543660774.db2.gz VWOIDZKMBNDRNM-IYBDPMFKSA-N 1 0 374.489 2.150 20 30 FEEDRO N#CCCn1ccc(NC(=O)NC2CC[NH+](CCc3ccncc3)CC2)n1 ZINC000118894034 543660784 /nfs/dbraw/zinc/66/07/84/543660784.db2.gz NYNDPHSGUFHYTM-UHFFFAOYSA-N 1 0 367.457 2.020 20 30 FEEDRO N#CCCN(Cc1ccccn1)C(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000118887094 543661224 /nfs/dbraw/zinc/66/12/24/543661224.db2.gz DSUJTSIBIGXPGY-UHFFFAOYSA-N 1 0 356.470 2.359 20 30 FEEDRO Cc1ccc(C[NH2+]CCNC(=O)C2N=CC=CC2=O)c(Br)c1 ZINC000119216245 543665143 /nfs/dbraw/zinc/66/51/43/543665143.db2.gz VTYAYNMMHDVCQP-NXVVXOECSA-N 1 0 364.243 2.374 20 30 FEEDRO C[C@@]1(CNS(=O)(=O)c2ccc(C#N)nc2)CCC[N@@H+]1Cc1ccccc1 ZINC000119720500 543671355 /nfs/dbraw/zinc/67/13/55/543671355.db2.gz XNXSLPAHDJTMRE-IBGZPJMESA-N 1 0 370.478 2.286 20 30 FEEDRO C=C(C)COc1cc(C[NH2+]C[C@H]2CCN(S(C)(=O)=O)C2)ccc1OC ZINC000119901407 543673085 /nfs/dbraw/zinc/67/30/85/543673085.db2.gz SFJGVURKTTVXNQ-MRXNPFEDSA-N 1 0 368.499 2.021 20 30 FEEDRO C[C@H](C#N)Oc1ccc(C[NH+]2CCC(NC(=O)C3CCOCC3)CC2)cc1 ZINC000120079187 543675499 /nfs/dbraw/zinc/67/54/99/543675499.db2.gz CXKCQUTZQAVTJY-MRXNPFEDSA-N 1 0 371.481 2.485 20 30 FEEDRO C[C@@H]1C[C@H](NC(=O)C(=O)Nc2cccc(C#N)c2)C[N@@H+]1Cc1ccccc1 ZINC000122818261 543725649 /nfs/dbraw/zinc/72/56/49/543725649.db2.gz OQLUZDFGBPBMDR-BEFAXECRSA-N 1 0 362.433 2.276 20 30 FEEDRO N#Cc1ccc2ncc(C[NH2+]C[C@@H](O)COc3ccc(F)c(F)c3)n2c1 ZINC000123661139 543775439 /nfs/dbraw/zinc/77/54/39/543775439.db2.gz JQKZLXAIMFYAJY-CQSZACIVSA-N 1 0 358.348 2.014 20 30 FEEDRO Cc1ccc(NC(=O)C[N@H+](C)CCCc2[nH]nc(N)c2C#N)cc1Cl ZINC000125453383 543882821 /nfs/dbraw/zinc/88/28/21/543882821.db2.gz JRVIQZFROGXBJF-UHFFFAOYSA-N 1 0 360.849 2.329 20 30 FEEDRO C[NH+](C)C[C@H](O)COc1ccc(NC(=O)CCc2ccc(C#N)cc2)cc1 ZINC000126896383 543962386 /nfs/dbraw/zinc/96/23/86/543962386.db2.gz QQLVCCZLJJTVKU-IBGZPJMESA-N 1 0 367.449 2.431 20 30 FEEDRO C[NH+]=C(NCC1(c2cccc(F)c2)CC1)N[C@@H]1CCCn2nc(C)nc21 ZINC000129127375 544092046 /nfs/dbraw/zinc/09/20/46/544092046.db2.gz BLDLBCYGLPNBSN-MRXNPFEDSA-N 1 0 356.449 2.457 20 30 FEEDRO C=C[C@H](CC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)c1ccccc1 ZINC000129267015 544101201 /nfs/dbraw/zinc/10/12/01/544101201.db2.gz SQASBNGVNULVRX-GOSISDBHSA-N 1 0 355.482 2.113 20 30 FEEDRO C[NH+](C)C[C@@H]1CCN(C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)C1 ZINC000130506438 544153778 /nfs/dbraw/zinc/15/37/78/544153778.db2.gz MCHSERLWQPGFOT-AOCRQIFASA-N 1 0 371.485 2.236 20 30 FEEDRO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[NH2+][C@H]2CCCC[C@@H]2C(N)=O)cc1 ZINC000130673345 544160564 /nfs/dbraw/zinc/16/05/64/544160564.db2.gz SRRUXGAPDFVRFG-SZMVWBNQSA-N 1 0 356.470 2.264 20 30 FEEDRO Cc1noc(C)c1[C@H](C)CNC(=[NH2+])N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000130756914 544164016 /nfs/dbraw/zinc/16/40/16/544164016.db2.gz MSEUQQLEKFYJPQ-GFCCVEGCSA-N 1 0 365.478 2.262 20 30 FEEDRO CC(C)Cn1ccnc1CNC(=O)c1ccc(-n2ncc(C#N)c2N)cc1 ZINC000131304353 544184720 /nfs/dbraw/zinc/18/47/20/544184720.db2.gz PPEBGLRSJPTKES-UHFFFAOYSA-N 1 0 363.425 2.109 20 30 FEEDRO C[C@H]([NH2+][C@H]1CCCC[C@@H]1C(N)=O)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000131019333 544174242 /nfs/dbraw/zinc/17/42/42/544174242.db2.gz SWCFNCQDXMKXKF-JQFCIGGWSA-N 1 0 360.433 2.095 20 30 FEEDRO N#Cc1ccc(C[NH2+]C[C@H](O)COc2ccccc2Br)o1 ZINC000131044614 544175344 /nfs/dbraw/zinc/17/53/44/544175344.db2.gz FHCSUHYPOZMLLP-NSHDSACASA-N 1 0 351.200 2.443 20 30 FEEDRO CN(CCC#N)C(=O)CC[N@@H+]1CCCC[C@H]1CNC(=O)Nc1ccccc1 ZINC000131821659 544208215 /nfs/dbraw/zinc/20/82/15/544208215.db2.gz HDNNGMVYVCBUIF-SFHVURJKSA-N 1 0 371.485 2.425 20 30 FEEDRO N#Cc1ccc(NC(=O)CC[NH+]2CCC(OC[C@@H]3CCOC3)CC2)cc1 ZINC000132168166 544221373 /nfs/dbraw/zinc/22/13/73/544221373.db2.gz ZTJGBYVZSNAWTD-QGZVFWFLSA-N 1 0 357.454 2.404 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CCCN(C(=O)NCC(C)C)C2)CC1 ZINC000133060121 544254311 /nfs/dbraw/zinc/25/43/11/544254311.db2.gz QWTJOCTUOSZTIL-QGZVFWFLSA-N 1 0 364.534 2.221 20 30 FEEDRO CC(C)(C#N)c1ccccc1C[NH+]1CCN(c2ncccc2C(N)=O)CC1 ZINC000135160526 544336626 /nfs/dbraw/zinc/33/66/26/544336626.db2.gz DGPISAYZWCRLPB-UHFFFAOYSA-N 1 0 363.465 2.304 20 30 FEEDRO CN(c1ccc(OCC[NH+]2CCCC2)cc1)S(=O)(=O)CCCC#N ZINC000135532462 544351304 /nfs/dbraw/zinc/35/13/04/544351304.db2.gz VVJKPMCVRHOBLF-UHFFFAOYSA-N 1 0 351.472 2.231 20 30 FEEDRO CCOc1ccnc(N2CCC[N@H+](CCOc3ccc(C#N)cc3)CC2)n1 ZINC000135780727 544360800 /nfs/dbraw/zinc/36/08/00/544360800.db2.gz XQKDBDAXXIIXFJ-UHFFFAOYSA-N 1 0 367.453 2.338 20 30 FEEDRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1ccc(C#N)cc1F ZINC000136325752 544371282 /nfs/dbraw/zinc/37/12/82/544371282.db2.gz BCZKMGNQXUOXDH-HNNXBMFYSA-N 1 0 360.433 2.407 20 30 FEEDRO C[NH+]1CCN([C@H]2CCCCN(C(=O)c3c(F)cc(C#N)cc3F)C2)CC1 ZINC000150982666 544493260 /nfs/dbraw/zinc/49/32/60/544493260.db2.gz PRBVYSNPAFKWAL-HNNXBMFYSA-N 1 0 362.424 2.079 20 30 FEEDRO COc1cc(C#N)ccc1OCC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000150773538 544469094 /nfs/dbraw/zinc/46/90/94/544469094.db2.gz VHGMITGEFKGXRE-KRWDZBQOSA-N 1 0 357.454 2.423 20 30 FEEDRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(c2ccc(C(F)(F)F)cc2C#N)CC1 ZINC000151604175 544561481 /nfs/dbraw/zinc/56/14/81/544561481.db2.gz UDERPVMFBQIDPP-MRXNPFEDSA-N 1 0 366.387 2.320 20 30 FEEDRO Cc1ccc(NCCC[NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)c([N+](=O)[O-])c1 ZINC000151924345 544596579 /nfs/dbraw/zinc/59/65/79/544596579.db2.gz QCMSISWZUNNDNC-SFHVURJKSA-N 1 0 367.409 2.393 20 30 FEEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)C2(OC)CC[NH2+]CC2)cc1 ZINC000152344184 544641408 /nfs/dbraw/zinc/64/14/08/544641408.db2.gz PFFMZSCDIFNMJI-UHFFFAOYSA-N 1 0 357.454 2.208 20 30 FEEDRO C=CCN(Cc1ccccc1F)C(=O)c1nnn(C2CC[NH2+]CC2)c1C ZINC000152805273 544698287 /nfs/dbraw/zinc/69/82/87/544698287.db2.gz CHBFZEQBFJXREG-UHFFFAOYSA-N 1 0 357.433 2.479 20 30 FEEDRO C[C@@H](NC(=O)C[N@H+](C)CCCc1[nH]nc(N)c1C#N)c1ccc(Cl)cc1 ZINC000153295875 544757059 /nfs/dbraw/zinc/75/70/59/544757059.db2.gz YXAXDUHWCWSKJJ-GFCCVEGCSA-N 1 0 374.876 2.259 20 30 FEEDRO C=CCSCCNC(=O)C(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000552519277 674213350 /nfs/dbraw/zinc/21/33/50/674213350.db2.gz WKGUFFFQWGXSDK-OAHLLOKOSA-N 1 0 369.918 2.094 20 30 FEEDRO N#Cc1cc(F)ccc1S(=O)(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000180199768 327676257 /nfs/dbraw/zinc/67/62/57/327676257.db2.gz RNGFYTWNSVBWNM-UHFFFAOYSA-N 1 0 374.441 2.287 20 30 FEEDRO CCOc1ccc(C#N)cc1NC(=O)C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000183354179 327813314 /nfs/dbraw/zinc/81/33/14/327813314.db2.gz GUPBDYSUZPONLF-UHFFFAOYSA-N 1 0 372.469 2.134 20 30 FEEDRO N#Cc1c(NC(=O)CC[NH2+][C@@H]2CCCC[C@@H]2C(N)=O)sc2c1CCCC2 ZINC000184807418 327883991 /nfs/dbraw/zinc/88/39/91/327883991.db2.gz ZENDMCFERJRCIG-DZGCQCFKSA-N 1 0 374.510 2.461 20 30 FEEDRO COc1ccc(C[NH2+]Cc2cnc(N3CCOCC3)c(F)c2)cc1C#N ZINC000185075010 327898036 /nfs/dbraw/zinc/89/80/36/327898036.db2.gz JTXMFDBOQVUUQD-UHFFFAOYSA-N 1 0 356.401 2.227 20 30 FEEDRO Cc1nc(C#N)c(N2CCC(C(=O)NC[C@@H](C)[N@@H+]3CCC[C@H](C)C3)CC2)o1 ZINC000189102649 328128816 /nfs/dbraw/zinc/12/88/16/328128816.db2.gz JOEASFQFWUNKHS-LSDHHAIUSA-N 1 0 373.501 2.308 20 30 FEEDRO N#Cc1ccc(N2C(=O)C[C@@H](N3CCC([C@H]4CCCO4)CC3)C2=O)cc1 ZINC000190079562 328186548 /nfs/dbraw/zinc/18/65/48/328186548.db2.gz VXIQRSVWOSVGAQ-QZTJIDSGSA-N 1 0 353.422 2.081 20 30 FEEDRO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000191230595 328255064 /nfs/dbraw/zinc/25/50/64/328255064.db2.gz VZFPIJTTXDCSEJ-INMHGKMJSA-N 1 0 352.394 2.382 20 30 FEEDRO C[C@@H](NC(=O)C(=O)Nc1ccc(C#N)cc1)[C@H](c1ccccc1)[NH+](C)C ZINC000191254864 328256711 /nfs/dbraw/zinc/25/67/11/328256711.db2.gz QRKMUKZQWJZNCZ-RDTXWAMCSA-N 1 0 350.422 2.304 20 30 FEEDRO Cc1ccc2ncc(C[NH2+][C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)n2c1 ZINC000192243490 328308728 /nfs/dbraw/zinc/30/87/28/328308728.db2.gz SKJJIZZNOIXXQF-LJQANCHMSA-N 1 0 359.433 2.405 20 30 FEEDRO C[C@H](C[NH+]1CCCCCC1)NC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000193310383 328368063 /nfs/dbraw/zinc/36/80/63/328368063.db2.gz DQSKRAKBWYLSFD-OAHLLOKOSA-N 1 0 373.501 2.434 20 30 FEEDRO CCC[N@@H+]1CC[C@H](CNC(=O)N2CCN(c3cccc(F)c3C#N)CC2)C1 ZINC000193785715 328394949 /nfs/dbraw/zinc/39/49/49/328394949.db2.gz ABCGJIRNHZSQCC-MRXNPFEDSA-N 1 0 373.476 2.261 20 30 FEEDRO CC[NH+](CC)C[C@H]1CCN(C(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000081335438 325170629 /nfs/dbraw/zinc/17/06/29/325170629.db2.gz MMSQTJVLBSNCDW-CYBMUJFWSA-N 1 0 362.861 2.340 20 30 FEEDRO CNC(=O)[C@H](C)C[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000081554411 325183783 /nfs/dbraw/zinc/18/37/83/325183783.db2.gz HSENENNJYNPXLK-GFCCVEGCSA-N 1 0 362.499 2.141 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)CCCOc2ccccc2F)c1C#N ZINC000089663227 325326078 /nfs/dbraw/zinc/32/60/78/325326078.db2.gz WELGUHGOQVYFHB-UHFFFAOYSA-N 1 0 359.405 2.370 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)Cc2c[nH]c3ccc(OC)cc23)c1C#N ZINC000089663782 325326347 /nfs/dbraw/zinc/32/63/47/325326347.db2.gz MPANUDPPDQMNHM-UHFFFAOYSA-N 1 0 366.425 2.104 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2coc(-c3ccccc3)n2)c1C#N ZINC000089676817 325326888 /nfs/dbraw/zinc/32/68/88/325326888.db2.gz URICTWIHKSMHEW-UHFFFAOYSA-N 1 0 350.382 2.341 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)c1C#N ZINC000089676887 325326892 /nfs/dbraw/zinc/32/68/92/325326892.db2.gz DZWIQIFWTNUZIP-UHFFFAOYSA-N 1 0 362.777 2.247 20 30 FEEDRO CSc1cccc(NC(=O)[C@H](C)[N@H+](C)CCCc2[nH]nc(N)c2C#N)c1 ZINC000089942880 325343910 /nfs/dbraw/zinc/34/39/10/325343910.db2.gz YTHGPNYYHQERKD-LBPRGKRZSA-N 1 0 372.498 2.477 20 30 FEEDRO CCC[NH+]1CCC(NC(=O)N2CCN(c3cccc(F)c3C#N)CC2)CC1 ZINC000107329050 325624937 /nfs/dbraw/zinc/62/49/37/325624937.db2.gz RSPGBUKPJWBDTQ-UHFFFAOYSA-N 1 0 373.476 2.403 20 30 FEEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000109159653 325660155 /nfs/dbraw/zinc/66/01/55/325660155.db2.gz DNZXWGMBMOQYFI-UHFFFAOYSA-N 1 0 360.458 2.266 20 30 FEEDRO N#Cc1ccccc1N1CCC[C@@H](NC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000109165880 325660717 /nfs/dbraw/zinc/66/07/17/325660717.db2.gz ICHSXTNOWADYFJ-GOSISDBHSA-N 1 0 367.497 2.453 20 30 FEEDRO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000116447801 326015822 /nfs/dbraw/zinc/01/58/22/326015822.db2.gz URIUVWJAOKSSJR-UYAOXDASSA-N 1 0 373.497 2.171 20 30 FEEDRO CC(C)Oc1ccc(NC(=O)C(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1C#N ZINC000119208043 326137900 /nfs/dbraw/zinc/13/79/00/326137900.db2.gz BNWFQMVDUXKOMG-CZUORRHYSA-N 1 0 370.453 2.025 20 30 FEEDRO C[N@H+](CCCc1[nH]nc(N)c1C#N)Cc1nc(-c2ccc(F)c(F)c2)no1 ZINC000121388640 326335276 /nfs/dbraw/zinc/33/52/76/326335276.db2.gz RQWJKIKPHXTVTP-UHFFFAOYSA-N 1 0 373.367 2.256 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cnn2c1CCCC2 ZINC000126265308 326485955 /nfs/dbraw/zinc/48/59/55/326485955.db2.gz UACDEVRWLRRXIH-UHFFFAOYSA-N 1 0 351.454 2.295 20 30 FEEDRO COc1cccc([C@H](CNC(=O)CNc2cccc(C#N)c2)[NH+](C)C)c1 ZINC000151142237 326675752 /nfs/dbraw/zinc/67/57/52/326675752.db2.gz FRRORPRAGAINEQ-IBGZPJMESA-N 1 0 352.438 2.398 20 30 FEEDRO N#Cc1ccc(NC(=O)CC[NH+]2CCC(N3CCCCC3=O)CC2)cc1 ZINC000153148389 326725193 /nfs/dbraw/zinc/72/51/93/326725193.db2.gz VNCDSIMTENLZEX-UHFFFAOYSA-N 1 0 354.454 2.364 20 30 FEEDRO CC(C)(Oc1ccc(C#N)cc1)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000153617817 326737869 /nfs/dbraw/zinc/73/78/69/326737869.db2.gz YJZBCFJZTWREOI-KRWDZBQOSA-N 1 0 371.481 2.333 20 30 FEEDRO C[NH+]1CCN(Cc2cccc(NS(=O)(=O)c3cccc(C#N)c3)c2)CC1 ZINC000153943077 326746889 /nfs/dbraw/zinc/74/68/89/326746889.db2.gz RVGGVABXKKDBHN-UHFFFAOYSA-N 1 0 370.478 2.106 20 30 FEEDRO C[NH+](C)CCN(C1CCCC1)S(=O)(=O)Cc1cc(C#N)ccc1F ZINC000164439684 327070328 /nfs/dbraw/zinc/07/03/28/327070328.db2.gz DGJINWCXDBBQBY-UHFFFAOYSA-N 1 0 353.463 2.333 20 30 FEEDRO N#Cc1ccc(NC(=O)C[NH2+][C@@H](CN2CCOCC2)c2ccccc2)cc1 ZINC000170767164 327098204 /nfs/dbraw/zinc/09/82/04/327098204.db2.gz YTCMGKDKAJKJEB-FQEVSTJZSA-N 1 0 364.449 2.160 20 30 FEEDRO COCCNS(=O)(=O)c1cccc(C[NH2+][C@@H](C)c2ccc(C#N)cc2)c1 ZINC000174109448 327306769 /nfs/dbraw/zinc/30/67/69/327306769.db2.gz TZWXUOMBXDJGLX-HNNXBMFYSA-N 1 0 373.478 2.334 20 30 FEEDRO CC[NH+]1CCC(CCNC(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000174132094 327308138 /nfs/dbraw/zinc/30/81/38/327308138.db2.gz AHMOMBRALBZRMY-UHFFFAOYSA-N 1 0 362.861 2.388 20 30 FEEDRO COc1ccc(C[NH2+]C[C@@H](O)CN2CCc3ccccc3C2)cc1C#N ZINC000174264242 327316183 /nfs/dbraw/zinc/31/61/83/327316183.db2.gz HMRYZZHHNKLHGD-HXUWFJFHSA-N 1 0 351.450 2.076 20 30 FEEDRO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccc(F)cc1C#N)C1CCCCC1 ZINC000175948235 327423575 /nfs/dbraw/zinc/42/35/75/327423575.db2.gz CDLGZCULOSQLKW-QGZVFWFLSA-N 1 0 360.433 2.263 20 30 FEEDRO N#Cc1ccc(OCCNC(=O)N2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000175980267 327426026 /nfs/dbraw/zinc/42/60/26/327426026.db2.gz IGJYFDCNLNVWBE-UHFFFAOYSA-N 1 0 356.470 2.454 20 30 FEEDRO Cc1c(C#N)cccc1NC(=O)C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000178445618 327585507 /nfs/dbraw/zinc/58/55/07/327585507.db2.gz TXKVRAUFTWCDHY-SFHVURJKSA-N 1 0 364.449 2.094 20 30 FEEDRO CC(C)(C)n1cc(C#N)cc1NC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000178620007 327596092 /nfs/dbraw/zinc/59/60/92/327596092.db2.gz XCLZGMMNDUVZEB-HNNXBMFYSA-N 1 0 359.474 2.301 20 30 FEEDRO Cc1ccc(C#N)cc1NC(=O)C(=O)N[C@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000250201577 328784960 /nfs/dbraw/zinc/78/49/60/328784960.db2.gz DCHSJRJEJMOOMZ-IIAWOOMASA-N 1 0 356.470 2.288 20 30 FEEDRO Cc1ccc(C#N)cc1S(=O)(=O)N1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261643774 328808103 /nfs/dbraw/zinc/80/81/03/328808103.db2.gz GNSLCNHPUDPOPX-MSOLQXFVSA-N 1 0 355.463 2.230 20 30 FEEDRO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)/C=C/c2ccc(C#N)cc2)CC1 ZINC000264371963 329015682 /nfs/dbraw/zinc/01/56/82/329015682.db2.gz CXVZEGQOBHEHRN-XTXLJPNXSA-N 1 0 352.482 2.200 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCCc2n[nH]cc21 ZINC000268164451 329392223 /nfs/dbraw/zinc/39/22/23/329392223.db2.gz QSHOARMAOSDVIV-QGZVFWFLSA-N 1 0 351.454 2.292 20 30 FEEDRO C[C@H]([NH2+]C[C@@H](O)COc1ccc(C#N)cc1)c1ccc([S@@](C)=O)cc1 ZINC000271824769 329728445 /nfs/dbraw/zinc/72/84/45/329728445.db2.gz PRRPXGGHYAFCCY-PHDITVQNSA-N 1 0 358.463 2.386 20 30 FEEDRO CCN(CC)C(=O)C[C@H](C)[NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000272480311 329784557 /nfs/dbraw/zinc/78/45/57/329784557.db2.gz AWNMCUZAJGUUDL-YJBOKZPZSA-N 1 0 356.470 2.290 20 30 FEEDRO COCCOCCOCCC[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000274387545 329944176 /nfs/dbraw/zinc/94/41/76/329944176.db2.gz KAGNBEYURMIXOO-UHFFFAOYSA-N 1 0 372.469 2.118 20 30 FEEDRO CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000274921181 329992995 /nfs/dbraw/zinc/99/29/95/329992995.db2.gz LHFSWTADNCIPFW-RHSMWYFYSA-N 1 0 356.470 2.337 20 30 FEEDRO CC1CCN(C(=O)C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)CC1 ZINC000299674735 330197043 /nfs/dbraw/zinc/19/70/43/330197043.db2.gz VPGXNLABMZKOSD-UHFFFAOYSA-N 1 0 368.481 2.467 20 30 FEEDRO C#CCCCS(=O)(=O)NC[C@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC000804939124 674308244 /nfs/dbraw/zinc/30/82/44/674308244.db2.gz FIRGMEPXBBGXJV-GOSISDBHSA-N 1 0 350.484 2.165 20 30 FEEDRO C#C[C@@H](NC(=O)N[C@@H]1CC[N@@H+](CCOC)C1)c1ccc(Cl)cc1F ZINC000805136225 674321935 /nfs/dbraw/zinc/32/19/35/674321935.db2.gz AWQYRMQCQOCMKJ-CZUORRHYSA-N 1 0 353.825 2.173 20 30 FEEDRO CC(C)(NC(=O)c1cccc(Cl)c1)c1noc([C@H]2C[C@H](O)C[NH2+]2)n1 ZINC000328629613 518505198 /nfs/dbraw/zinc/50/51/98/518505198.db2.gz IKNAMHGTQGBYDL-NWDGAFQWSA-N 1 0 350.806 2.358 20 30 FEEDRO Cc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000155499307 545533605 /nfs/dbraw/zinc/53/36/05/545533605.db2.gz NBGUAQDXOIXQFA-QGZVFWFLSA-N 1 0 356.470 2.289 20 30 FEEDRO Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N3[C@H](C)C[N@@H+](C)C[C@@H]3C)C2)n1 ZINC000155528517 545538384 /nfs/dbraw/zinc/53/83/84/545538384.db2.gz MPFDENVXILDYJR-JZXOWHBKSA-N 1 0 355.486 2.029 20 30 FEEDRO N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000156445351 545627955 /nfs/dbraw/zinc/62/79/55/545627955.db2.gz KCRIPQKGOXHFAG-NSHDSACASA-N 1 0 373.400 2.340 20 30 FEEDRO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1CCC(n2cncn2)CC1 ZINC000156565734 545636665 /nfs/dbraw/zinc/63/66/65/545636665.db2.gz AKSMSRBGHPYVBZ-WUJZJPHMSA-N 1 0 358.490 2.234 20 30 FEEDRO N#Cc1ccccc1S(=O)(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000157203953 545713818 /nfs/dbraw/zinc/71/38/18/545713818.db2.gz YXZXUJYZSIWLJR-GOSISDBHSA-N 1 0 369.490 2.401 20 30 FEEDRO Cc1cc(S(=O)(=O)NCC[NH2+]Cc2cc(C#N)cs2)c(C)s1 ZINC000158396976 545856862 /nfs/dbraw/zinc/85/68/62/545856862.db2.gz IZQNDYGTGPBBPS-UHFFFAOYSA-N 1 0 355.510 2.366 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CC(=O)N(C)[C@H]2c2cccs2)CC1 ZINC000159231804 545934140 /nfs/dbraw/zinc/93/41/40/545934140.db2.gz LVCCANHAJXXCKY-CRAIPNDOSA-N 1 0 361.511 2.424 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccs2)CC1 ZINC000159231669 545934720 /nfs/dbraw/zinc/93/47/20/545934720.db2.gz LVCCANHAJXXCKY-YJBOKZPZSA-N 1 0 361.511 2.424 20 30 FEEDRO CC(C)Oc1ccc(NC(=O)C(=O)NCC[N@@H+]2CCC[C@@H](C)C2)cc1C#N ZINC000160180505 546014302 /nfs/dbraw/zinc/01/43/02/546014302.db2.gz COIZGDVALQONMI-OAHLLOKOSA-N 1 0 372.469 2.132 20 30 FEEDRO C[N@@H+]1CCC[C@H](CNS(=O)(=O)CC2(C#N)CC2)[C@@H]1c1cccs1 ZINC000165670653 546153739 /nfs/dbraw/zinc/15/37/39/546153739.db2.gz FZHIIRVBKZILJT-UKRRQHHQSA-N 1 0 353.513 2.354 20 30 FEEDRO C=CCNC(=O)c1ccc(NC(=O)NC2CC[NH+](CCCOC)CC2)cc1 ZINC000171151732 546192770 /nfs/dbraw/zinc/19/27/70/546192770.db2.gz RGAPVLDMGHOYBQ-UHFFFAOYSA-N 1 0 374.485 2.225 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2ccc(Cn3cncn3)cc2)CC1 ZINC000171552342 546213827 /nfs/dbraw/zinc/21/38/27/546213827.db2.gz QBCGHAGFLHZHIX-UHFFFAOYSA-N 1 0 368.485 2.166 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2nc(CC(=O)OCC)cs2)CC1 ZINC000171548239 546214131 /nfs/dbraw/zinc/21/41/31/546214131.db2.gz MYLVVRBGXPHKOE-UHFFFAOYSA-N 1 0 366.487 2.411 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C[C@H](NC(C)=O)c2ccccc2OCC)CC1 ZINC000171715027 546220585 /nfs/dbraw/zinc/22/05/85/546220585.db2.gz AZPJWCBAWSLMPK-IBGZPJMESA-N 1 0 373.497 2.419 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)NCc2cccc(C(=O)NCCC)c2)CC1 ZINC000171712124 546220929 /nfs/dbraw/zinc/22/09/29/546220929.db2.gz LTMGROFFIQINGY-UHFFFAOYSA-N 1 0 358.486 2.276 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)c2nnn(-c3ccc(OC)cc3)c2C)CC1 ZINC000171729412 546222303 /nfs/dbraw/zinc/22/23/03/546222303.db2.gz JZWUQRQTOFVGNL-UHFFFAOYSA-N 1 0 369.469 2.355 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N[C@H](c2nnc(C)[nH]2)c2ccccc2)CC1 ZINC000171737887 546223731 /nfs/dbraw/zinc/22/37/31/546223731.db2.gz RHKRDECCCLYPHT-KRWDZBQOSA-N 1 0 354.458 2.152 20 30 FEEDRO C=CC[N@@H+](CC(=O)N1CCN(c2cnccn2)CC1)CC1CCCCC1 ZINC000171963512 546231440 /nfs/dbraw/zinc/23/14/40/546231440.db2.gz UYCXHADTWPJZMT-UHFFFAOYSA-N 1 0 357.502 2.194 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccn(Cc3ccncc3)n2)CC1 ZINC000172369141 546249604 /nfs/dbraw/zinc/24/96/04/546249604.db2.gz NILOOJSWMOMRFB-UHFFFAOYSA-N 1 0 354.458 2.488 20 30 FEEDRO C=CCN1CCC([NH2+][C@H](C)c2cccc(S(=O)(=O)N(C)C)c2)CC1 ZINC000173398279 546280470 /nfs/dbraw/zinc/28/04/70/546280470.db2.gz DNPJLJDPRJYFNZ-OAHLLOKOSA-N 1 0 351.516 2.238 20 30 FEEDRO C#CCOc1ccc(F)cc1NC(=O)NCCCC[N@H+]1CCC[C@@H]1CO ZINC000173785813 546286178 /nfs/dbraw/zinc/28/61/78/546286178.db2.gz IWIYVRPKQXGCSP-MRXNPFEDSA-N 1 0 363.433 2.196 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000174927275 546305072 /nfs/dbraw/zinc/30/50/72/546305072.db2.gz AGIKSNAREPUWGJ-HXUWFJFHSA-N 1 0 353.510 2.312 20 30 FEEDRO C#CCOc1ccc(F)cc1NC(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000175726614 546340238 /nfs/dbraw/zinc/34/02/38/546340238.db2.gz PBSZNTIPPOAKJB-UHFFFAOYSA-N 1 0 361.417 2.166 20 30 FEEDRO N#Cc1cccc(NC(=O)C(=O)NC2CC[NH+](C3CCCCC3)CC2)c1 ZINC000177002716 546522162 /nfs/dbraw/zinc/52/21/62/546522162.db2.gz KMPNFKWEUZXAPN-UHFFFAOYSA-N 1 0 354.454 2.410 20 30 FEEDRO C[N@H+](CCC(=O)Nc1sccc1C#N)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000177010074 546523177 /nfs/dbraw/zinc/52/31/77/546523177.db2.gz MVODRSQEMIDXTA-KBPBESRZSA-N 1 0 369.512 2.236 20 30 FEEDRO C[NH+](C)CC1(CNS(=O)(=O)Cc2ccc(C#N)cc2F)CCCC1 ZINC000480707770 561214905 /nfs/dbraw/zinc/21/49/05/561214905.db2.gz JHJCNKBHDRVRMM-UHFFFAOYSA-N 1 0 353.463 2.239 20 30 FEEDRO N#Cc1ccc(CS(=O)(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)c(F)c1 ZINC000481017988 561222939 /nfs/dbraw/zinc/22/29/39/561222939.db2.gz DJTYFXKOEPBUBF-HNNXBMFYSA-N 1 0 351.447 2.134 20 30 FEEDRO C=CCN1CCC([NH2+][C@H](C)c2ccc(S(C)(=O)=O)c(OC)c2)CC1 ZINC000177908632 546705968 /nfs/dbraw/zinc/70/59/68/546705968.db2.gz MDBAHTDSDBDSSC-CQSZACIVSA-N 1 0 352.500 2.400 20 30 FEEDRO C[C@@H]1C[N@@H+](C2CCN(C(=O)C(C)(C)Oc3ccc(C#N)cc3)CC2)CCO1 ZINC000178164441 546750738 /nfs/dbraw/zinc/75/07/38/546750738.db2.gz RLWCKGCDUBXCSO-MRXNPFEDSA-N 1 0 371.481 2.427 20 30 FEEDRO C[NH+]=C(NCc1ccco1)NC[C@@H](c1cccs1)N1CCO[C@@H](C)C1 ZINC000178423461 546792676 /nfs/dbraw/zinc/79/26/76/546792676.db2.gz PBRMKLPJIBTTRC-HOCLYGCPSA-N 1 0 362.499 2.468 20 30 FEEDRO CCCN(C(=O)Cn1cnc(C#N)n1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000178496678 546803641 /nfs/dbraw/zinc/80/36/41/546803641.db2.gz MYWJPIHLYSSMFQ-SFHVURJKSA-N 1 0 366.469 2.053 20 30 FEEDRO N#CC1CCN(C(=O)C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)CC1 ZINC000179849280 547021081 /nfs/dbraw/zinc/02/10/81/547021081.db2.gz BLSTWBKBWFDSEG-UHFFFAOYSA-N 1 0 354.454 2.026 20 30 FEEDRO C=C(C)CN(C)C(=O)C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000180673810 547155101 /nfs/dbraw/zinc/15/51/01/547155101.db2.gz FTLXQHSEQNMWSL-UHFFFAOYSA-N 1 0 361.511 2.251 20 30 FEEDRO N#Cc1ccc(CC(=O)NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)cc1 ZINC000180879266 547200445 /nfs/dbraw/zinc/20/04/45/547200445.db2.gz DYJKFBAISNRIMC-OAQYLSRUSA-N 1 0 363.461 2.374 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2C[C@@H]3CCC[N@@H+]3Cc3ccccc32)cn1 ZINC000180954771 547218505 /nfs/dbraw/zinc/21/85/05/547218505.db2.gz CARPZDOXDUYLTC-INIZCTEOSA-N 1 0 354.435 2.127 20 30 FEEDRO COc1c[nH+]ccc1N1CCN([C@H](C)C(=O)Nc2cccc(C#N)c2)CC1 ZINC000483193434 561269925 /nfs/dbraw/zinc/26/99/25/561269925.db2.gz IHTPFPBZGLGEEI-OAHLLOKOSA-N 1 0 365.437 2.111 20 30 FEEDRO N#Cc1cccc(CNC(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)c1 ZINC000181573696 547339218 /nfs/dbraw/zinc/33/92/18/547339218.db2.gz QRQIACYWQGKYFH-HXUWFJFHSA-N 1 0 364.449 2.124 20 30 FEEDRO C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)NC[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000181665573 547355552 /nfs/dbraw/zinc/35/55/52/547355552.db2.gz OFOVXGAMPPBOHL-JYJNAYRXSA-N 1 0 372.469 2.153 20 30 FEEDRO C[C@H]([NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1)c1ccc(C#N)cc1 ZINC000182061787 547430590 /nfs/dbraw/zinc/43/05/90/547430590.db2.gz YLJJDNVEIAEEKS-SWLSCSKDSA-N 1 0 350.465 2.105 20 30 FEEDRO CN(C)C(=O)CC1CC[NH+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000182238554 547458889 /nfs/dbraw/zinc/45/88/89/547458889.db2.gz ZHMXXRMOQVJFIQ-LJQANCHMSA-N 1 0 368.481 2.244 20 30 FEEDRO CN(C)C(=O)CC1CC[NH+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000182238581 547459163 /nfs/dbraw/zinc/45/91/63/547459163.db2.gz ZHMXXRMOQVJFIQ-IBGZPJMESA-N 1 0 368.481 2.244 20 30 FEEDRO COCCOC1CC[NH+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000182795110 547552884 /nfs/dbraw/zinc/55/28/84/547552884.db2.gz PZSPZUGYHZVUIC-IBGZPJMESA-N 1 0 357.454 2.181 20 30 FEEDRO CN1CCN([C@@H]2CCCC[N@H+](CCCOc3cccc(C#N)c3)C2)CC1 ZINC000182907713 547571253 /nfs/dbraw/zinc/57/12/53/547571253.db2.gz YQYHDBUTBHIUEI-HXUWFJFHSA-N 1 0 356.514 2.429 20 30 FEEDRO N#C[C@H](c1cccs1)N1CCN(C(=O)C[N@@H+]2C[C@@H]3CCC[C@@H]3C2)CC1 ZINC000183186076 547617528 /nfs/dbraw/zinc/61/75/28/547617528.db2.gz UHVUIRRNVBRNGH-IXDOHACOSA-N 1 0 358.511 2.189 20 30 FEEDRO COc1cccc([C@H]2[C@@H](NC(=O)C3(C#N)CCOCC3)CC[N@@H+]2C2CC2)c1 ZINC000183266263 547630801 /nfs/dbraw/zinc/63/08/01/547630801.db2.gz QXJBJRZXPITBAW-OALUTQOASA-N 1 0 369.465 2.410 20 30 FEEDRO C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000183350680 547643078 /nfs/dbraw/zinc/64/30/78/547643078.db2.gz AIMVIRGHVVKFEO-HNNXBMFYSA-N 1 0 372.469 2.154 20 30 FEEDRO CC[NH+](CC)CCN(CCOC)S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000183648960 547695336 /nfs/dbraw/zinc/69/53/36/547695336.db2.gz JNTKKYSPNKOHPD-UHFFFAOYSA-N 1 0 373.906 2.191 20 30 FEEDRO CCO[C@@H]1COCC[C@@H]1[NH2+][C@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000484654822 561302559 /nfs/dbraw/zinc/30/25/59/561302559.db2.gz SAVLGKNDVDSRHJ-XFHVWQCUSA-N 1 0 351.491 2.089 20 30 FEEDRO C=CC[C@@H](CO)[NH2+]Cc1ccc(OCCN2CCOCC2)c(Cl)c1 ZINC000184278224 547799097 /nfs/dbraw/zinc/79/90/97/547799097.db2.gz CIERHCLQIOWIKY-INIZCTEOSA-N 1 0 354.878 2.078 20 30 FEEDRO COc1cc(C#N)ccc1S(=O)(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000185797458 548036886 /nfs/dbraw/zinc/03/68/86/548036886.db2.gz PPTPWQZJCOLYAL-MRXNPFEDSA-N 1 0 363.483 2.110 20 30 FEEDRO C=CC[C@H](CO)[NH2+][C@@H](C)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000186699984 548175532 /nfs/dbraw/zinc/17/55/32/548175532.db2.gz LTFQDTFRPPEHKH-DOTOQJQBSA-N 1 0 352.500 2.449 20 30 FEEDRO C=CC[C@@H](CO)[NH2+][C@@H](C)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000186717807 548179880 /nfs/dbraw/zinc/17/98/80/548179880.db2.gz QEQMFPYCXKAJCO-HOCLYGCPSA-N 1 0 364.467 2.346 20 30 FEEDRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000186742259 548184005 /nfs/dbraw/zinc/18/40/05/548184005.db2.gz BTBOJKVYPRWGDQ-CQSZACIVSA-N 1 0 361.490 2.424 20 30 FEEDRO N#Cc1ccc(N2CC[C@H]([N@@H+]3CCSC4(CCOCC4)C3)C2=O)cc1 ZINC000186810273 548198202 /nfs/dbraw/zinc/19/82/02/548198202.db2.gz YBBXBBRSKYWCOH-KRWDZBQOSA-N 1 0 357.479 2.262 20 30 FEEDRO CC1(CO)CC[NH+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC1 ZINC000186929485 548220374 /nfs/dbraw/zinc/22/03/74/548220374.db2.gz BFKRJXVYKSAGKR-UHFFFAOYSA-N 1 0 368.399 2.268 20 30 FEEDRO C#CCOc1ccccc1NC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000188053736 548270704 /nfs/dbraw/zinc/27/07/04/548270704.db2.gz ZOXBRBFDTVBVDV-INIZCTEOSA-N 1 0 357.454 2.321 20 30 FEEDRO CCO[C@H]1C[C@](CO)([NH2+]CC(=O)N(CCC#N)c2ccccc2)C1(C)C ZINC000189994819 548315275 /nfs/dbraw/zinc/31/52/75/548315275.db2.gz VBAQEWOGKASLNA-FXAWDEMLSA-N 1 0 359.470 2.089 20 30 FEEDRO C=C(C)COc1cc(C[NH2+]CC2CN(S(=O)(=O)CC)C2)ccc1OC ZINC000190291754 548321178 /nfs/dbraw/zinc/32/11/78/548321178.db2.gz SOGUEZYAYJSMTP-UHFFFAOYSA-N 1 0 368.499 2.021 20 30 FEEDRO C=CCCOCCNC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000190620513 548330176 /nfs/dbraw/zinc/33/01/76/548330176.db2.gz JIRAKLRDQDYHKS-LJQANCHMSA-N 1 0 361.486 2.169 20 30 FEEDRO CC(C)CCC[C@@H](C)NC(=[NH2+])NCc1ccc(S(=O)(=O)CCO)cc1 ZINC000191170062 548342026 /nfs/dbraw/zinc/34/20/26/548342026.db2.gz JPQXZDNBRXRYLZ-OAHLLOKOSA-N 1 0 369.531 2.072 20 30 FEEDRO CN1C(=O)C[C@@H]([NH2+]CC(=O)N[C@@](C)(C#N)C2CC2)[C@H]1c1ccc(Cl)cc1 ZINC000192150706 548360105 /nfs/dbraw/zinc/36/01/05/548360105.db2.gz FXATZRSYAXLBDV-LZQZEXGQSA-N 1 0 374.872 2.010 20 30 FEEDRO CN1C(=O)C[C@@H]([NH2+]CC(=O)N[C@](C)(C#N)C2CC2)[C@H]1c1ccc(Cl)cc1 ZINC000192150699 548360117 /nfs/dbraw/zinc/36/01/17/548360117.db2.gz FXATZRSYAXLBDV-ATZDWAIDSA-N 1 0 374.872 2.010 20 30 FEEDRO CCN(CCC[NH+]1CCCC1)C(=O)C1CCN(c2oc(C)nc2C#N)CC1 ZINC000194319066 548465404 /nfs/dbraw/zinc/46/54/04/548465404.db2.gz JXHLSEIQDQGOHH-UHFFFAOYSA-N 1 0 373.501 2.406 20 30 FEEDRO N#Cc1ccc(C[N@H+]2CCCN(Cc3ncnn3CC(F)F)CC2)cc1 ZINC000486803910 561357068 /nfs/dbraw/zinc/35/70/68/561357068.db2.gz PUSJYMNNZOGPCC-UHFFFAOYSA-N 1 0 360.412 2.123 20 30 FEEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]C[C@]2(N3CCOCC3)CCSC2)cc1 ZINC000237491877 548830769 /nfs/dbraw/zinc/83/07/69/548830769.db2.gz RMJZTWAHJZZJRA-QFBILLFUSA-N 1 0 361.511 2.275 20 30 FEEDRO CCc1nsc(N2CCC[N@H+](C[C@@H](O)c3ccc(C#N)cc3)CC2)n1 ZINC000245952667 549026772 /nfs/dbraw/zinc/02/67/72/549026772.db2.gz BJQQHTRUABVWCZ-MRXNPFEDSA-N 1 0 357.483 2.218 20 30 FEEDRO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CC[C@@H](Cc3ccccc3)C2)CC1 ZINC000245997802 549033813 /nfs/dbraw/zinc/03/38/13/549033813.db2.gz ISJMWIRWMQGQQA-LEWJYISDSA-N 1 0 368.525 2.243 20 30 FEEDRO C[C@@H]1CN(C[C@H]2CCC[N@@H+]2CCC(=O)Nc2ccccc2C#N)C[C@H](C)O1 ZINC000246090620 549049585 /nfs/dbraw/zinc/04/95/85/549049585.db2.gz GGKMXPJMHGUNHI-ZIFCJYIRSA-N 1 0 370.497 2.460 20 30 FEEDRO C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000246292724 549098653 /nfs/dbraw/zinc/09/86/53/549098653.db2.gz VIOKMERERRAKSV-JKSUJKDBSA-N 1 0 356.470 2.070 20 30 FEEDRO N#Cc1cc(S(=O)(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)ccc1F ZINC000246764507 549206345 /nfs/dbraw/zinc/20/63/45/549206345.db2.gz YIGXVGVUARGFBZ-UGSOOPFHSA-N 1 0 363.458 2.335 20 30 FEEDRO Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3C[C@@H](C)CCC[C@H]3C)CC2)o1 ZINC000246999572 549261299 /nfs/dbraw/zinc/26/12/99/549261299.db2.gz TVBUDMAUFQQEBP-LSDHHAIUSA-N 1 0 359.474 2.014 20 30 FEEDRO CC(C)[C@H]1CN(C(=O)CCCC(=O)Nc2ccccc2C#N)CC[N@@H+]1C ZINC000489372089 561409285 /nfs/dbraw/zinc/40/92/85/561409285.db2.gz KXEZWJUMCHTBJA-GOSISDBHSA-N 1 0 356.470 2.466 20 30 FEEDRO C=C[C@@H]1CCCC[N@H+]1CC(=O)N1CCN(Cc2ccc(OC)cc2)CC1 ZINC000489406150 561410240 /nfs/dbraw/zinc/41/02/40/561410240.db2.gz RUKGHCZBONLVRP-LJQANCHMSA-N 1 0 357.498 2.380 20 30 FEEDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NS(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000248823540 549506815 /nfs/dbraw/zinc/50/68/15/549506815.db2.gz LPSSPJLBBWBLLF-IFXJQAMLSA-N 1 0 373.453 2.496 20 30 FEEDRO C[NH+](C)C1(CNS(=O)(=O)c2ccc(C#N)c(F)c2)Cc2ccccc2C1 ZINC000489547757 561413997 /nfs/dbraw/zinc/41/39/97/561413997.db2.gz MBGCGLKFPDWCFN-UHFFFAOYSA-N 1 0 373.453 2.075 20 30 FEEDRO CC[N@H+](CC(=O)N1CCN(c2oc(C)nc2C#N)CC1)[C@H]1CCCC[C@H]1C ZINC000249382997 549586093 /nfs/dbraw/zinc/58/60/93/549586093.db2.gz PJPVJNOTSNERMA-QAPCUYQASA-N 1 0 373.501 2.404 20 30 FEEDRO CCOCCC[N@@H+]1CC[C@H](NCC(=O)NC2(C#N)CCCCC2)[C@@H](C)C1 ZINC000249455824 549593280 /nfs/dbraw/zinc/59/32/80/549593280.db2.gz PMTPLFHHRGRTDD-ROUUACIJSA-N 1 0 364.534 2.056 20 30 FEEDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)C1 ZINC000489763965 561418572 /nfs/dbraw/zinc/41/85/72/561418572.db2.gz VTNMRYINMIVPSE-UXHICEINSA-N 1 0 369.513 2.258 20 30 FEEDRO C[C@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)[C@@H](C(N)=O)C1 ZINC000249560165 549605717 /nfs/dbraw/zinc/60/57/17/549605717.db2.gz LJIMTMYPTHHUJP-SWLSCSKDSA-N 1 0 374.510 2.413 20 30 FEEDRO CC[C@@H](C)[NH2+][C@H](CNS(=O)(=O)c1cnc(C)c(C#N)c1)c1ccco1 ZINC000489848813 561420454 /nfs/dbraw/zinc/42/04/54/561420454.db2.gz UJHKJVBLACOXPI-MLGOLLRUSA-N 1 0 362.455 2.262 20 30 FEEDRO COC(=O)[C@H](C)[C@@H]([NH2+]C[C@@H](O)COc1ccc(C#N)cc1)c1ccccc1 ZINC000252652823 549675581 /nfs/dbraw/zinc/67/55/81/549675581.db2.gz XQAQYLZROCISLW-XFQXTVEOSA-N 1 0 368.433 2.438 20 30 FEEDRO C=C[C@@H](CC(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)c1ccccc1 ZINC000252801225 549678735 /nfs/dbraw/zinc/67/87/35/549678735.db2.gz ACFKMIJDHZVMLA-HKUYNNGSSA-N 1 0 355.482 2.111 20 30 FEEDRO C=CCc1cc(C(=O)NCC2(COC)CC[NH2+]CC2)cc(OC)c1OC ZINC000261805357 549756586 /nfs/dbraw/zinc/75/65/86/549756586.db2.gz WEJFSPTZZWTYOI-UHFFFAOYSA-N 1 0 362.470 2.178 20 30 FEEDRO [NH2+]=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)NC1CCCC1 ZINC000261880824 549766143 /nfs/dbraw/zinc/76/61/43/549766143.db2.gz QYAWZYLPKMMFRW-UHFFFAOYSA-N 1 0 364.515 2.208 20 30 FEEDRO CC[NH+]=C(NC[C@](C)(O)c1ccco1)N1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000261931035 549771307 /nfs/dbraw/zinc/77/13/07/549771307.db2.gz BIOZPSMARGNFAK-FCEWJHQRSA-N 1 0 359.474 2.232 20 30 FEEDRO C[NH+]=C(NC[C@H](C)c1ccc(F)cc1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000262008459 549779787 /nfs/dbraw/zinc/77/97/87/549779787.db2.gz WCJSCHUJBGFCQZ-ZDUSSCGKSA-N 1 0 355.479 2.014 20 30 FEEDRO C[NH+]=C(NCc1ccco1)NCc1nnc2ccc(C(F)(F)F)cn21 ZINC000262148978 549793252 /nfs/dbraw/zinc/79/32/52/549793252.db2.gz QXFNNPSEQHQGFB-UHFFFAOYSA-N 1 0 352.320 2.206 20 30 FEEDRO C[C@@H]([NH3+])[C@@H]1CCCN(S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)C1 ZINC000262157333 549793777 /nfs/dbraw/zinc/79/37/77/549793777.db2.gz ZMMKXQREWXVORQ-GHMZBOCLSA-N 1 0 361.389 2.325 20 30 FEEDRO C[NH+]=C(NCc1ccc(S(N)(=O)=O)s1)N1CCC2(C1)CCCCC2 ZINC000262305308 549808583 /nfs/dbraw/zinc/80/85/83/549808583.db2.gz AHPGVRLQCXQXKV-UHFFFAOYSA-N 1 0 370.544 2.127 20 30 FEEDRO C[C@@H](NC(NCC(=O)N(C)C)=[NH+][C@H]1CCOC2(CCC2)C1)c1ccccc1 ZINC000262312136 549809376 /nfs/dbraw/zinc/80/93/76/549809376.db2.gz PXNFQNDJWXYNER-AEFFLSMTSA-N 1 0 372.513 2.473 20 30 FEEDRO O=S1(=O)CC[C@@H](CNC(NCc2ccsc2)=[NH+]C2CCCC2)C1 ZINC000262366553 549814681 /nfs/dbraw/zinc/81/46/81/549814681.db2.gz HUYXYKSBPFROGX-AWEZNQCLSA-N 1 0 355.529 2.161 20 30 FEEDRO CC[NH+]=C(NCc1c(C)oc2ccccc21)NC[C@H]1CCS(=O)(=O)C1 ZINC000262418554 549818197 /nfs/dbraw/zinc/81/81/97/549818197.db2.gz QNNSDXHMXGLCGP-CQSZACIVSA-N 1 0 363.483 2.231 20 30 FEEDRO C[NH+]=C(NC[C@H](c1ccco1)N1CCCC1)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000262467611 549822442 /nfs/dbraw/zinc/82/24/42/549822442.db2.gz TXVKRZZZLZUAAM-IDCNUPLLSA-N 1 0 360.502 2.395 20 30 FEEDRO CC[NH+]=C(NCc1ccc2c(c1)OCO2)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000262501062 549824538 /nfs/dbraw/zinc/82/45/38/549824538.db2.gz YJVKGKDUOVOCTR-OAHLLOKOSA-N 1 0 355.442 2.104 20 30 FEEDRO [NH2+]=C(NCCNC(=O)c1ccccc1Cl)N[C@@H]1CCOc2ccccc21 ZINC000262532541 549826391 /nfs/dbraw/zinc/82/63/91/549826391.db2.gz PWLZOLHORQWPTK-MRXNPFEDSA-N 1 0 372.856 2.498 20 30 FEEDRO C[NH+]=C(NCc1nc2cc(Cl)ccc2s1)N1CCN(C(C)=O)CC1 ZINC000263261593 549890289 /nfs/dbraw/zinc/89/02/89/549890289.db2.gz SQSLIATVEMXZLD-UHFFFAOYSA-N 1 0 365.890 2.189 20 30 FEEDRO CCN(CC)C(=O)CCCC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000263668401 549916832 /nfs/dbraw/zinc/91/68/32/549916832.db2.gz DNAFQHZJQLQBEL-UHFFFAOYSA-N 1 0 372.513 2.487 20 30 FEEDRO COc1ccc([C@@H](CNC(=O)CN(C)C[C@@H](C)C#N)[NH+]2CCCCC2)cc1 ZINC000263726598 549926942 /nfs/dbraw/zinc/92/69/42/549926942.db2.gz RSVREDIKHGABIC-FXAWDEMLSA-N 1 0 372.513 2.430 20 30 FEEDRO C=CCOc1c(Br)cc(C[NH2+][C@H]2CC(=O)N(C)C2)cc1OC ZINC000263786833 549936653 /nfs/dbraw/zinc/93/66/53/549936653.db2.gz WTTVWDSSEXRGGH-LBPRGKRZSA-N 1 0 369.259 2.343 20 30 FEEDRO C=CCc1ccc(OC[C@H](O)C[N@H+]2CCC[C@H](C(=O)OC)C2)c(OC)c1 ZINC000263880453 549950394 /nfs/dbraw/zinc/95/03/94/549950394.db2.gz LLRPPUWNRZEXAI-DLBZAZTESA-N 1 0 363.454 2.048 20 30 FEEDRO C#CCN(CC)C(=O)NCc1cccc(OCC[N@H+](C)C2CCOCC2)c1 ZINC000263956626 549959900 /nfs/dbraw/zinc/95/99/00/549959900.db2.gz GLWKGOAVOIOSOI-UHFFFAOYSA-N 1 0 373.497 2.341 20 30 FEEDRO N#CCCN(C(=O)CCC(=O)NCC[NH+]1CCCCC1)c1ccccc1 ZINC000263968432 549961763 /nfs/dbraw/zinc/96/17/63/549961763.db2.gz LETOFRMLHZFSBE-UHFFFAOYSA-N 1 0 356.470 2.316 20 30 FEEDRO CCOC(=O)N1CCC(NC(=[NH2+])NCc2cc(Cl)ccc2OC)CC1 ZINC000264078831 549975988 /nfs/dbraw/zinc/97/59/88/549975988.db2.gz GRDFPPFPFISQPH-UHFFFAOYSA-N 1 0 368.865 2.374 20 30 FEEDRO COCC[N@H+](C)CCCNC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000264139789 549983849 /nfs/dbraw/zinc/98/38/49/549983849.db2.gz XMDIHFIUJJNAGN-UHFFFAOYSA-N 1 0 374.485 2.079 20 30 FEEDRO COc1ccc([C@@H](CNC(=O)CN(CC#N)C2CC2)[NH+]2CCCCC2)cc1 ZINC000264281157 549993703 /nfs/dbraw/zinc/99/37/03/549993703.db2.gz OSBAFIIPNFTSTJ-HXUWFJFHSA-N 1 0 370.497 2.326 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)nc2)CC1 ZINC000264323473 549994649 /nfs/dbraw/zinc/99/46/49/549994649.db2.gz BKUQTMIICLWCLZ-IYBDPMFKSA-N 1 0 373.501 2.467 20 30 FEEDRO COc1ccc(Cn2cc(C(=O)N(CCC#N)CCC[NH+](C)C)cn2)cc1 ZINC000264602280 549998427 /nfs/dbraw/zinc/99/84/27/549998427.db2.gz XGNUVIOWFMRYMQ-UHFFFAOYSA-N 1 0 369.469 2.248 20 30 FEEDRO N#CCCSc1ccccc1NC(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000264790742 550001495 /nfs/dbraw/zinc/00/14/95/550001495.db2.gz VZXDLOBJWIQVPK-HOCLYGCPSA-N 1 0 372.494 2.374 20 30 FEEDRO COc1cc(/C=C/C(=O)N2CC[NH+](C3CCC3)CC2)ccc1OCC#N ZINC000264883194 550002789 /nfs/dbraw/zinc/00/27/89/550002789.db2.gz CTYZHAQJNLJYAR-SOFGYWHQSA-N 1 0 355.438 2.307 20 30 FEEDRO C=CCNC(=O)c1ccc(N2CCN(Cc3ccc(C#N)cc3)CC2)nc1 ZINC000264929170 550003596 /nfs/dbraw/zinc/00/35/96/550003596.db2.gz YKIXUXPDRCYMHT-UHFFFAOYSA-N 1 0 361.449 2.191 20 30 FEEDRO C#CCCOc1ccc(C[NH2+]CCCN2CCC[C@H]2C(=O)N(C)C)cc1 ZINC000264985510 550003982 /nfs/dbraw/zinc/00/39/82/550003982.db2.gz VQFFZHSZKMWIDQ-FQEVSTJZSA-N 1 0 357.498 2.121 20 30 FEEDRO CCCC[N@H+](C)CCNC(=O)N1CCN(c2cccc(F)c2C#N)CC1 ZINC000491052621 561442356 /nfs/dbraw/zinc/44/23/56/561442356.db2.gz MOQMJWYWBXZVTN-UHFFFAOYSA-N 1 0 361.465 2.261 20 30 FEEDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)NCC#Cc2ccccc2)[C@H](C)C1 ZINC000265156402 550007529 /nfs/dbraw/zinc/00/75/29/550007529.db2.gz CZJSOGKYCFOBJE-UYAOXDASSA-N 1 0 357.498 2.474 20 30 FEEDRO C[NH+](C)C1(CNC(=O)Cc2ccc(OCC#N)cc2)Cc2ccccc2C1 ZINC000265948477 550015529 /nfs/dbraw/zinc/01/55/29/550015529.db2.gz YFQFWKSLQOOAGO-UHFFFAOYSA-N 1 0 363.461 2.347 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N(CCOC)c2ccc(OC)c(OC)c2)CC1 ZINC000266113087 550017376 /nfs/dbraw/zinc/01/73/76/550017376.db2.gz WPBXTTBLILIZML-UHFFFAOYSA-N 1 0 360.454 2.028 20 30 FEEDRO COc1ccc(CNC(=[NH2+])NCc2csc([C@@H](C)OC)n2)cc1OC ZINC000267613159 550033458 /nfs/dbraw/zinc/03/34/58/550033458.db2.gz DDHDSRSBIIRWMU-LLVKDONJSA-N 1 0 364.471 2.472 20 30 FEEDRO CC(C)OCCOC[C@H](O)C[N@H+](C)CCCOc1cccc(C#N)c1 ZINC000268642424 550098109 /nfs/dbraw/zinc/09/81/09/550098109.db2.gz DVAGGDODQHNQKL-GOSISDBHSA-N 1 0 350.459 2.061 20 30 FEEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)C[C@@H]1C[NH2+]CCO1 ZINC000269220682 550168811 /nfs/dbraw/zinc/16/88/11/550168811.db2.gz JXKMOYPGCIJHPG-CQSZACIVSA-N 1 0 371.250 2.481 20 30 FEEDRO CC(C)Oc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1C#N ZINC000269411862 550192329 /nfs/dbraw/zinc/19/23/29/550192329.db2.gz ZWTAXRIZPDVACL-SJORKVTESA-N 1 0 370.453 2.027 20 30 FEEDRO N#Cc1cccc(C2(NC(=O)NC3CC[NH+](C[C@H]4CCOC4)CC3)CC2)c1 ZINC000269719106 550219990 /nfs/dbraw/zinc/21/99/90/550219990.db2.gz SNZFTTOQXXFIFX-QGZVFWFLSA-N 1 0 368.481 2.347 20 30 FEEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC000271052784 550335628 /nfs/dbraw/zinc/33/56/28/550335628.db2.gz TYLFIWSYDZHGKU-OAHLLOKOSA-N 1 0 358.486 2.397 20 30 FEEDRO CN1CCN(C(=O)c2ccc(CNC(=[NH2+])NC3CCCCCC3)cc2)CC1 ZINC000271270075 550359783 /nfs/dbraw/zinc/35/97/83/550359783.db2.gz NELPPUWAVDHVNK-UHFFFAOYSA-N 1 0 371.529 2.201 20 30 FEEDRO CN(C)C(=O)c1ccc(NC(=O)C[NH2+]C2(c3cccc(C#N)c3)CC2)cc1 ZINC000271780211 550401622 /nfs/dbraw/zinc/40/16/22/550401622.db2.gz LPDIRXQUSVNEMD-UHFFFAOYSA-N 1 0 362.433 2.477 20 30 FEEDRO C=CC[N@H+](CCOc1ccc(S(N)(=O)=O)cc1)CCc1ccco1 ZINC000272323263 550437786 /nfs/dbraw/zinc/43/77/86/550437786.db2.gz UUXGUUJWYMYUHX-UHFFFAOYSA-N 1 0 350.440 2.037 20 30 FEEDRO CC(C)N(CC[NH+](C)C)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000272724435 550467141 /nfs/dbraw/zinc/46/71/41/550467141.db2.gz FXIVKLJNKGTOAU-GOSISDBHSA-N 1 0 371.485 2.035 20 30 FEEDRO CCCNC(=O)C[C@@H](C(N)=O)[N@H+](CCC)Cc1ccccc1C(C)(C)C#N ZINC000272779163 550470375 /nfs/dbraw/zinc/47/03/75/550470375.db2.gz XTVGIXZAXHXILE-SFHVURJKSA-N 1 0 372.513 2.470 20 30 FEEDRO Cc1ccc(Br)cc1NC(=O)CCNC(=[NH2+])N(C)C1CC1 ZINC000273386735 550496649 /nfs/dbraw/zinc/49/66/49/550496649.db2.gz ZFSHEINTMLSNAC-UHFFFAOYSA-N 1 0 353.264 2.495 20 30 FEEDRO C[N@H+](CCO)C1CCN(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CC1 ZINC000273948818 550516691 /nfs/dbraw/zinc/51/66/91/550516691.db2.gz HHGVIMTWCZVOGF-UHFFFAOYSA-N 1 0 370.375 2.497 20 30 FEEDRO C[NH+](C)CCOc1cnccc1CNC(=O)[C@@H](C#N)CCc1ccccc1 ZINC000494684064 561474080 /nfs/dbraw/zinc/47/40/80/561474080.db2.gz CRMLIUUWUUDROH-GOSISDBHSA-N 1 0 366.465 2.411 20 30 FEEDRO C=CCCN(C)C(=O)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000276313284 550577770 /nfs/dbraw/zinc/57/77/70/550577770.db2.gz UQOHYHLONYZQJB-GOSISDBHSA-N 1 0 358.486 2.101 20 30 FEEDRO N#Cc1ccc(NC(=O)C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)c(Cl)c1 ZINC000277461130 550673233 /nfs/dbraw/zinc/67/32/33/550673233.db2.gz IURDGWSNRWTXDK-AWEZNQCLSA-N 1 0 360.845 2.283 20 30 FEEDRO C[NH+](C)Cc1cccc(NC(=O)C(=O)NC2(c3cccc(C#N)c3)CC2)c1 ZINC000277656521 550697372 /nfs/dbraw/zinc/69/73/72/550697372.db2.gz ZLWXWVMDEBIEMG-UHFFFAOYSA-N 1 0 362.433 2.364 20 30 FEEDRO C=CC[C@@H]1[N@@H+](CC(=O)NCc2ccc(OCC(N)=O)cc2)CCCC1(C)C ZINC000277702495 550703971 /nfs/dbraw/zinc/70/39/71/550703971.db2.gz HVZTXWMIRKOSEJ-SFHVURJKSA-N 1 0 373.497 2.234 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N2CCC(Oc3ncccc3F)CC2)CC1 ZINC000277982455 550735446 /nfs/dbraw/zinc/73/54/46/550735446.db2.gz AENWRLJGXUIRBY-UHFFFAOYSA-N 1 0 362.449 2.424 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)NC[C@@H](O)c2cc(F)cc(Cl)c2)CC1 ZINC000278470925 550789930 /nfs/dbraw/zinc/78/99/30/550789930.db2.gz QJUIMHWRSRYYSM-MRXNPFEDSA-N 1 0 355.841 2.462 20 30 FEEDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)Nc1cccc(OCC#N)c1 ZINC000278509997 550793800 /nfs/dbraw/zinc/79/38/00/550793800.db2.gz MVDYPRHEMAGXCD-OAHLLOKOSA-N 1 0 358.442 2.306 20 30 FEEDRO C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000278668211 550809606 /nfs/dbraw/zinc/80/96/06/550809606.db2.gz NVVDKOGVWRAFDM-DNVCBOLYSA-N 1 0 350.470 2.431 20 30 FEEDRO CCC[N@H+](CC(=O)N(C)C)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000278835405 550827327 /nfs/dbraw/zinc/82/73/27/550827327.db2.gz AHMVTYNXKGKUEO-UHFFFAOYSA-N 1 0 354.458 2.159 20 30 FEEDRO C[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000278982972 550843024 /nfs/dbraw/zinc/84/30/24/550843024.db2.gz ZKHWDZNWUZQYJR-AWEZNQCLSA-N 1 0 359.474 2.044 20 30 FEEDRO COC[C@@H]([NH2+]CC(=O)N(CCC#N)c1cc(C)cc(C)c1)[C@H]1CCCO1 ZINC000279108168 550855032 /nfs/dbraw/zinc/85/50/32/550855032.db2.gz RZEPUJFFPLMEOY-RTBURBONSA-N 1 0 359.470 2.334 20 30 FEEDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)[C@H]1OC ZINC000279331741 550878534 /nfs/dbraw/zinc/87/85/34/550878534.db2.gz CZOOGSREGTUZPU-ZHALLVOQSA-N 1 0 355.442 2.141 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N2CCCC[C@H]2C(=O)OCc2ccccc2)CC1 ZINC000279807020 550931383 /nfs/dbraw/zinc/93/13/83/550931383.db2.gz ZHDVRWCFBBMDJM-FQEVSTJZSA-N 1 0 368.477 2.456 20 30 FEEDRO [NH2+]=C(NCCCN1CCOCC1)N[C@H]1C[C@H](c2ccc(Cl)cc2)C1 ZINC000280128124 550963550 /nfs/dbraw/zinc/96/35/50/550963550.db2.gz XONCXUKGPNZFTB-JCNLHEQBSA-N 1 0 350.894 2.213 20 30 FEEDRO CN1CC[N@H+](C)C[C@@H]1CNc1nc2c(c(C#N)c1C#N)CCCCCC2 ZINC000280705563 551023308 /nfs/dbraw/zinc/02/33/08/551023308.db2.gz KPRPBTUCVMJHCW-HNNXBMFYSA-N 1 0 352.486 2.142 20 30 FEEDRO N#Cc1ccc([C@@H](O)C[N@H+]2C[C@@H]3[C@H](C2)OCCN3Cc2ccccc2)cc1 ZINC000280902298 551044253 /nfs/dbraw/zinc/04/42/53/551044253.db2.gz RGPGMQOHANGREF-FSSWDIPSSA-N 1 0 363.461 2.177 20 30 FEEDRO C[NH+](C)CC1(NS(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)CCC1 ZINC000280919173 551045669 /nfs/dbraw/zinc/04/56/69/551045669.db2.gz AUFRIJADPQAQBR-UHFFFAOYSA-N 1 0 361.389 2.340 20 30 FEEDRO C=CCN1CC[C@@H](N(C)C(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1=O ZINC000281122914 551066098 /nfs/dbraw/zinc/06/60/98/551066098.db2.gz BKVCOPAHMUZKNA-RBUKOAKNSA-N 1 0 355.482 2.144 20 30 FEEDRO CNC(=O)[C@]1(C)CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)C1 ZINC000281248682 551078089 /nfs/dbraw/zinc/07/80/89/551078089.db2.gz UXFOZFHAAYUCFT-LJQANCHMSA-N 1 0 374.510 2.285 20 30 FEEDRO CNC(=O)[C@]1(C)CC[N@@H+]([C@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)C1 ZINC000281263555 551079030 /nfs/dbraw/zinc/07/90/30/551079030.db2.gz VOIJGMMUVZZECU-OXQOHEQNSA-N 1 0 356.470 2.088 20 30 FEEDRO C=CCN1CC[C@@H]([N@H+](C)C[C@H](O)COc2cccc(C(F)(F)F)c2)C1=O ZINC000281500481 551105464 /nfs/dbraw/zinc/10/54/64/551105464.db2.gz XZLFUFIJULRGQC-GOEBONIOSA-N 1 0 372.387 2.164 20 30 FEEDRO CCC[C@H]1CN(C(=O)[C@H](C#N)Cc2ccc(C#N)cc2)CC[N@@H+]1CCOC ZINC000281644676 551124789 /nfs/dbraw/zinc/12/47/89/551124789.db2.gz RIGAZHUZNKDLMC-PMACEKPBSA-N 1 0 368.481 2.200 20 30 FEEDRO C=CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[NH+](C(C)C)CC1 ZINC000282254242 551202329 /nfs/dbraw/zinc/20/23/29/551202329.db2.gz LAOMGAHBTPDAMB-UHFFFAOYSA-N 1 0 366.469 2.445 20 30 FEEDRO C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)CCOc1ccccc1C#N ZINC000497584623 561504246 /nfs/dbraw/zinc/50/42/46/561504246.db2.gz IAWFHGDCDMAFGI-CQSZACIVSA-N 1 0 359.451 2.277 20 30 FEEDRO C=C(C)Cn1c(C2CCC2)nnc1N1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC000282759649 551267257 /nfs/dbraw/zinc/26/72/57/551267257.db2.gz BZJDCWQILXPDAR-UHFFFAOYSA-N 1 0 374.533 2.112 20 30 FEEDRO C=CCCCNC(=O)C(=O)NC[C@@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC000283241805 551334969 /nfs/dbraw/zinc/33/49/69/551334969.db2.gz CUXVVBUYQRMEGW-SFHVURJKSA-N 1 0 359.470 2.031 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCCSc2ccccc2)CC1 ZINC000283438248 551366381 /nfs/dbraw/zinc/36/63/81/551366381.db2.gz JTJIMVVUDGZHBQ-UHFFFAOYSA-N 1 0 361.511 2.052 20 30 FEEDRO CCOC(=O)CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)c1sccc1C#N ZINC000497987980 561513330 /nfs/dbraw/zinc/51/33/30/561513330.db2.gz FEIILQPQUYZQAK-HNNXBMFYSA-N 1 0 363.483 2.499 20 30 FEEDRO CN1CC[C@H]([NH2+]C[C@H](O)COc2ccc(C#N)cc2)[C@@H]1c1ccccc1 ZINC000283835809 551435080 /nfs/dbraw/zinc/43/50/80/551435080.db2.gz CGKREOSARYHPHX-JBACZVJFSA-N 1 0 351.450 2.333 20 30 FEEDRO N#Cc1cccc(CNC(=O)C(=O)NC2CC[NH+](C3CCCCC3)CC2)c1 ZINC000284072984 551478930 /nfs/dbraw/zinc/47/89/30/551478930.db2.gz RLJOZOUPWTVGCC-UHFFFAOYSA-N 1 0 368.481 2.088 20 30 FEEDRO Cc1nccc(CCC(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)n1 ZINC000498220375 561518995 /nfs/dbraw/zinc/51/89/95/561518995.db2.gz AZWGHEPTZXYQFX-UHFFFAOYSA-N 1 0 363.465 2.392 20 30 FEEDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(=O)N(C)Cc2ccc(C#N)cc2)C1 ZINC000284416094 551544401 /nfs/dbraw/zinc/54/44/01/551544401.db2.gz XPBHMCOQQPVICM-CALCHBBNSA-N 1 0 370.497 2.001 20 30 FEEDRO CCS(=O)(=O)c1ccc([C@@H](C)[NH2+]CC(=O)N[C@@](C)(C#N)C(C)C)cc1 ZINC000284652037 551599275 /nfs/dbraw/zinc/59/92/75/551599275.db2.gz FINRHYUSTOQDEV-KDOFPFPSSA-N 1 0 365.499 2.185 20 30 FEEDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000498489227 561525743 /nfs/dbraw/zinc/52/57/43/561525743.db2.gz WUQCJGAEZFPKGI-QRQLOZEOSA-N 1 0 370.497 2.443 20 30 FEEDRO C=CCN1C(=O)c2ccc(C(=O)N3C[C@@H](C)[N@H+](CC)C[C@H]3C)cc2C1=O ZINC000498585449 561529743 /nfs/dbraw/zinc/52/97/43/561529743.db2.gz STRXPQFQBUHJQW-ZIAGYGMSSA-N 1 0 355.438 2.023 20 30 FEEDRO C=C(C)CN(Cc1ccc(CO)o1)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000498593085 561529861 /nfs/dbraw/zinc/52/98/61/561529861.db2.gz OWNHCVDMKNSNGX-SFHVURJKSA-N 1 0 367.515 2.297 20 30 FEEDRO CSc1cc(Br)ccc1C[NH2+]CCn1cnc(C#N)n1 ZINC000285381885 551746643 /nfs/dbraw/zinc/74/66/43/551746643.db2.gz CUYLIKACASPDTK-UHFFFAOYSA-N 1 0 352.261 2.424 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)COCc1nnc(C)s1)C(C)C ZINC000285487173 551764359 /nfs/dbraw/zinc/76/43/59/551764359.db2.gz ILJJHUKMCANHQH-OAHLLOKOSA-N 1 0 352.504 2.178 20 30 FEEDRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)C(C)(C)c1cc(F)cc(C#N)c1 ZINC000285702119 551797546 /nfs/dbraw/zinc/79/75/46/551797546.db2.gz VZAVAIAXOBGIBC-UHFFFAOYSA-N 1 0 374.504 2.459 20 30 FEEDRO C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C)c1ccc(OCC#N)cc1 ZINC000285808629 551813801 /nfs/dbraw/zinc/81/38/01/551813801.db2.gz WHYDJFUBSPVKPF-BPIHKTFHSA-N 1 0 370.497 2.323 20 30 FEEDRO C[C@H]1CN(C(=O)C2CCN(c3ccc(C#N)cc3F)CC2)C[C@H]1[NH+](C)C ZINC000285969156 551833153 /nfs/dbraw/zinc/83/31/53/551833153.db2.gz GZZFZAINDCDEBA-IFXJQAMLSA-N 1 0 358.461 2.322 20 30 FEEDRO CC[NH+]1CCN(Cc2ccccc2CNc2nc(C)cc(C#N)n2)CC1 ZINC000286075972 551845862 /nfs/dbraw/zinc/84/58/62/551845862.db2.gz JKONDOZRVZUTNO-UHFFFAOYSA-N 1 0 350.470 2.406 20 30 FEEDRO N#Cc1ccc(N2CC[C@H](C(=O)NC3CC[NH+](C4CC4)CC3)C2)c(F)c1 ZINC000286381474 551881323 /nfs/dbraw/zinc/88/13/23/551881323.db2.gz QHGFPCGFFOTBMV-HNNXBMFYSA-N 1 0 356.445 2.267 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCc2nc(C(C)C)cs2)CC1 ZINC000286420112 551884776 /nfs/dbraw/zinc/88/47/76/551884776.db2.gz FTURNOGLISNHLE-UHFFFAOYSA-N 1 0 364.515 2.039 20 30 FEEDRO N#Cc1c(N2CCC[C@@H](C[NH+]3CCOCC3)C2)nc2cc(Cl)ccn12 ZINC000286477312 551890546 /nfs/dbraw/zinc/89/05/46/551890546.db2.gz OVDQZSXBFRIHKS-AWEZNQCLSA-N 1 0 359.861 2.408 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N2CCC(n3c(C)ccc3C)CC2)CC1 ZINC000286754618 551922648 /nfs/dbraw/zinc/92/26/48/551922648.db2.gz SZCZJCGWTJBNPN-UHFFFAOYSA-N 1 0 372.513 2.035 20 30 FEEDRO CCC[C@H]1CN(C(=O)C(=O)NCCCCC#N)CCN1Cc1ccccc1 ZINC000286816890 551929139 /nfs/dbraw/zinc/92/91/39/551929139.db2.gz WNZGGJWZPULWES-IBGZPJMESA-N 1 0 370.497 2.310 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(C)[C@@H]2CCc3ccccc3C2)CC1 ZINC000286831942 551931129 /nfs/dbraw/zinc/93/11/29/551931129.db2.gz XHBNWEKMXHGAGW-HXUWFJFHSA-N 1 0 369.509 2.159 20 30 FEEDRO COc1ccc(CCNC(=[NH2+])NCc2nccc(C(F)F)n2)cc1OC ZINC000287356850 551993928 /nfs/dbraw/zinc/99/39/28/551993928.db2.gz XXWHGVLAVLZPJP-UHFFFAOYSA-N 1 0 365.384 2.078 20 30 FEEDRO C#CCSCCNC(=O)c1cnn(CC[NH+](C)C)c1-c1ccccc1 ZINC000287637265 552028527 /nfs/dbraw/zinc/02/85/27/552028527.db2.gz NOJJAIHSACAMRO-UHFFFAOYSA-N 1 0 356.495 2.208 20 30 FEEDRO CCN(CCC#N)S(=O)(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000499497356 561552391 /nfs/dbraw/zinc/55/23/91/561552391.db2.gz YCFJAPYKSJSZNX-GOSISDBHSA-N 1 0 364.515 2.111 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)Nc2ccc(F)c(N3CCCNC3=O)c2)CC1 ZINC000288217556 552112419 /nfs/dbraw/zinc/11/24/19/552112419.db2.gz JIWFSSIYTHBDGA-UHFFFAOYSA-N 1 0 358.417 2.029 20 30 FEEDRO Cc1[nH]nc(NC(=O)c2cnn(CC[NH+](C)C)c2-c2ccccc2)c1C#N ZINC000288245830 552118094 /nfs/dbraw/zinc/11/80/94/552118094.db2.gz UBNUVCMTVMIXHM-UHFFFAOYSA-N 1 0 363.425 2.267 20 30 FEEDRO Cc1nc(C#N)c(N2CCC(C(=O)N3C[C@H]([NH+]4CCCC4)C[C@@H]3C)CC2)o1 ZINC000288301715 552128790 /nfs/dbraw/zinc/12/87/90/552128790.db2.gz IAYSUFRMOIADGY-WMLDXEAASA-N 1 0 371.485 2.156 20 30 FEEDRO C[C@@H]1[C@H](NC(=O)C(=O)Nc2cccc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000288536166 552171124 /nfs/dbraw/zinc/17/11/24/552171124.db2.gz XQLQSMGJHSUIJX-DNVCBOLYSA-N 1 0 362.433 2.276 20 30 FEEDRO C=CCN1CC[C@H]([N@@H+](C)C[C@H](O)COc2ccc(/C=C\C)cc2OC)C1=O ZINC000500019136 561564146 /nfs/dbraw/zinc/56/41/46/561564146.db2.gz MVVXAKUXOOAGBL-DLCHJWGKSA-N 1 0 374.481 2.187 20 30 FEEDRO C#CC[C@@H](Cc1ccccc1)NC(=O)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000289241857 552287428 /nfs/dbraw/zinc/28/74/28/552287428.db2.gz WVYUWMIWKSITHU-IBGZPJMESA-N 1 0 363.461 2.438 20 30 FEEDRO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H]1[C@H]1COCC[C@@H]1O ZINC000500351201 561570605 /nfs/dbraw/zinc/57/06/05/561570605.db2.gz BHNUOHPRVASAAX-WTGUMLROSA-N 1 0 361.482 2.017 20 30 FEEDRO Cc1onc(CC(=O)NC2CC[NH+]([C@H](C)c3ccncc3)CC2)c1C#N ZINC000500359976 561570752 /nfs/dbraw/zinc/57/07/52/561570752.db2.gz HLBYMLCBXWLGRY-CYBMUJFWSA-N 1 0 353.426 2.134 20 30 FEEDRO C=CCn1c(Cn2nc(C)cc2C)nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000289724494 552368429 /nfs/dbraw/zinc/36/84/29/552368429.db2.gz PQLFHMWZOCPYAR-QAPCUYQASA-N 1 0 371.533 2.492 20 30 FEEDRO C=CCn1c(-c2cccnc2)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000290109460 552428927 /nfs/dbraw/zinc/42/89/27/552428927.db2.gz FMGKFQKTNOOXOA-QGZVFWFLSA-N 1 0 368.485 2.075 20 30 FEEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000290173019 552438159 /nfs/dbraw/zinc/43/81/59/552438159.db2.gz PAELUJNFZIBHGL-MRXNPFEDSA-N 1 0 356.470 2.056 20 30 FEEDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1 ZINC000290400219 552473084 /nfs/dbraw/zinc/47/30/84/552473084.db2.gz NDLMMXNSJIJZDO-GFCCVEGCSA-N 1 0 350.850 2.387 20 30 FEEDRO C#Cc1ccc(C[NH2+]Cc2ccc(CS(=O)(=O)CC(=O)OC)cc2)cc1 ZINC000290499235 552488912 /nfs/dbraw/zinc/48/89/12/552488912.db2.gz WLJPBKIIPZKPRJ-UHFFFAOYSA-N 1 0 371.458 2.046 20 30 FEEDRO CCN(CC)C(=[NH2+])NCc1cccc(N2C(=O)NC3(CCCC3)C2=O)c1 ZINC000290753939 552531967 /nfs/dbraw/zinc/53/19/67/552531967.db2.gz YNVVESWFQKGBNP-UHFFFAOYSA-N 1 0 357.458 2.212 20 30 FEEDRO C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N(C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000291068293 552582812 /nfs/dbraw/zinc/58/28/12/552582812.db2.gz QJZLPOMQFBFNJC-IAGOWNOFSA-N 1 0 374.533 2.257 20 30 FEEDRO COc1cc(CNc2cccc(CN3CCNC(=O)C3)c2)ccc1C#N ZINC000291096572 552586351 /nfs/dbraw/zinc/58/63/51/552586351.db2.gz QJHBTGDGUORONO-UHFFFAOYSA-N 1 0 350.422 2.111 20 30 FEEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH2+][C@@H](C)Cn1cccn1 ZINC000501236641 561593041 /nfs/dbraw/zinc/59/30/41/561593041.db2.gz SRSAMNXVHSBDMV-HOTGVXAUSA-N 1 0 355.442 2.205 20 30 FEEDRO C[C@@H]1CN(CCS(=O)(=O)c2ccc(C#N)cc2)CC[N@@H+](C2CCC2)C1 ZINC000292089173 552692708 /nfs/dbraw/zinc/69/27/08/552692708.db2.gz FDMSZWQZJWQDIW-MRXNPFEDSA-N 1 0 361.511 2.138 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1cc(Cn2cccn2)on1)C(C)C ZINC000292144048 552698167 /nfs/dbraw/zinc/69/81/67/552698167.db2.gz FERXQMSPOSJOFW-GOSISDBHSA-N 1 0 357.458 2.348 20 30 FEEDRO N#Cc1ccc(O[C@@H]2CCN(C(=O)NC[C@@H]3CCCC[N@@H+]3C3CC3)C2)nc1 ZINC000292699937 552750699 /nfs/dbraw/zinc/75/06/99/552750699.db2.gz QOWUHHMDTPLMME-ZWKOTPCHSA-N 1 0 369.469 2.133 20 30 FEEDRO COc1cc(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc(OC)c1O ZINC000292723547 552752743 /nfs/dbraw/zinc/75/27/43/552752743.db2.gz FOIBRSOOGSXXJC-OAHLLOKOSA-N 1 0 355.394 2.329 20 30 FEEDRO COc1cc(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)cc2c1OCCO2 ZINC000292751159 552755143 /nfs/dbraw/zinc/75/51/43/552755143.db2.gz ILLQVUGNDYUNNE-INIZCTEOSA-N 1 0 367.405 2.386 20 30 FEEDRO C[N@@H+]1CCC[C@]2(CCN([C@H]3CCCN(c4ccc(C#N)cc4)C3=O)C2)C1 ZINC000292968388 552775805 /nfs/dbraw/zinc/77/58/05/552775805.db2.gz MCTZXLJDKQMHFE-FPOVZHCZSA-N 1 0 352.482 2.471 20 30 FEEDRO C[NH+](C)[C@]1(CNC(=O)c2cnc(C(F)(F)F)c(C#N)c2)CCSC1 ZINC000293317746 552810865 /nfs/dbraw/zinc/81/08/65/552810865.db2.gz UTRKASAMFCNAEL-AWEZNQCLSA-N 1 0 358.389 2.139 20 30 FEEDRO C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc(OC(C)C)cc1Cl ZINC000293338229 552812805 /nfs/dbraw/zinc/81/28/05/552812805.db2.gz JXORTBWAFWUIRD-UHFFFAOYSA-N 1 0 365.861 2.137 20 30 FEEDRO C=CCC(C)(C)C(=O)Nc1cccc(S(=O)(=O)NCC[NH+](C)C)c1 ZINC000293485055 552828471 /nfs/dbraw/zinc/82/84/71/552828471.db2.gz LWODUWLTEJERNB-UHFFFAOYSA-N 1 0 353.488 2.067 20 30 FEEDRO C=CCN(CC=C)C(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000501728330 561604196 /nfs/dbraw/zinc/60/41/96/561604196.db2.gz GHAJAFVZUONMTH-IEBWSBKVSA-N 1 0 355.482 2.214 20 30 FEEDRO C[C@H](CNS(=O)(=O)Cc1ccc(F)cc1C#N)[NH+]1CCC(C)CC1 ZINC000294273655 552893004 /nfs/dbraw/zinc/89/30/04/552893004.db2.gz GDOFOJHUUWUHPP-CQSZACIVSA-N 1 0 353.463 2.237 20 30 FEEDRO C=CCOc1ccc(CC(=O)N2CCN(CC[NH+]3CCCC3)CC2)cc1 ZINC000294548840 552914830 /nfs/dbraw/zinc/91/48/30/552914830.db2.gz VPRODTGAENEUCA-UHFFFAOYSA-N 1 0 357.498 2.034 20 30 FEEDRO CO[C@@]1(C)C[C@H]([NH2+]CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1(C)C ZINC000295093521 552958377 /nfs/dbraw/zinc/95/83/77/552958377.db2.gz AHHNWQDMPUXIBY-JXFKEZNVSA-N 1 0 367.453 2.476 20 30 FEEDRO COc1ccc(C[NH2+][C@@H]2CCCN(CCCO)C2)cc1OCCCC#N ZINC000295209261 552970189 /nfs/dbraw/zinc/97/01/89/552970189.db2.gz ZVNUVKOMWBEGQK-GOSISDBHSA-N 1 0 361.486 2.314 20 30 FEEDRO C=CCN1C(=S)N=NC1c1sc(NC(=O)C2([NH3+])CCC2)nc1C ZINC000295911098 553074798 /nfs/dbraw/zinc/07/47/98/553074798.db2.gz ZNXXBUWWLPUEQM-UHFFFAOYSA-N 1 0 350.473 2.005 20 30 FEEDRO CC[N@H+](C)CCNC(=O)c1cn(CCC#N)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000502468600 561619181 /nfs/dbraw/zinc/61/91/81/561619181.db2.gz DXRYYZRCPFOWRC-UHFFFAOYSA-N 1 0 370.413 2.053 20 30 FEEDRO C[C@H](CC[NH+](C)C)NC(=O)C(=O)Nc1sc(C(C)(C)C)cc1C#N ZINC000296631160 553190413 /nfs/dbraw/zinc/19/04/13/553190413.db2.gz UPARRGLDWZCVKZ-LLVKDONJSA-N 1 0 350.488 2.312 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)NCCCc1nc(-c2ccc(F)cc2)no1 ZINC000296871315 553223053 /nfs/dbraw/zinc/22/30/53/553223053.db2.gz ZRFUHFBRYLIVHZ-UHFFFAOYSA-N 1 0 373.432 2.063 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)N1CCC[C@@H]1Cn1cnc2ccccc21 ZINC000296884820 553225086 /nfs/dbraw/zinc/22/50/86/553225086.db2.gz LZRASSRRQADPIC-QGZVFWFLSA-N 1 0 353.470 2.165 20 30 FEEDRO Cc1nsc(NC(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)c1C#N ZINC000297402595 553288067 /nfs/dbraw/zinc/28/80/67/553288067.db2.gz KNXLRLVJOHVCOQ-CABCVRRESA-N 1 0 363.487 2.213 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)N1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 ZINC000297484320 553298333 /nfs/dbraw/zinc/29/83/33/553298333.db2.gz MUUIWYAKUJCMPE-HSALFYBXSA-N 1 0 355.482 2.156 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)N[C@H]1c2ccccc2CC[C@H]1n1ccnc1 ZINC000297509509 553301920 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FEEDRO C[C@@H]1CCC[C@](CNC(=O)C(=O)Nc2cccc(OCC#N)c2)([NH+](C)C)C1 ZINC000298979080 553498534 /nfs/dbraw/zinc/49/85/34/553498534.db2.gz KBPWETUSSPMWDI-QRWLVFNGSA-N 1 0 372.469 2.154 20 30 FEEDRO CC[C@H](C)[N@H+](C)CCNC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000503910660 561649810 /nfs/dbraw/zinc/64/98/10/561649810.db2.gz OCLBMASPORXUEZ-YJBOKZPZSA-N 1 0 371.485 2.083 20 30 FEEDRO CC[C@@H](C)[N@H+](C)CCNC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000503910653 561649824 /nfs/dbraw/zinc/64/98/24/561649824.db2.gz OCLBMASPORXUEZ-CRAIPNDOSA-N 1 0 371.485 2.083 20 30 FEEDRO C[C@H](CC[NH+](C)C)NC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000299502559 553572630 /nfs/dbraw/zinc/57/26/30/553572630.db2.gz KITJUMNFOOVIMG-OAHLLOKOSA-N 1 0 371.485 2.259 20 30 FEEDRO COc1ccc(CNC[C@H](O)C[NH+]2CCCCC2)cc1OCCCC#N ZINC000299670943 553601063 /nfs/dbraw/zinc/60/10/63/553601063.db2.gz YKYOXKXBCMRBQU-SFHVURJKSA-N 1 0 361.486 2.314 20 30 FEEDRO N#Cc1c(F)cccc1N1CCN(C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000504338696 561656472 /nfs/dbraw/zinc/65/64/72/561656472.db2.gz NJKOFLJHOOBCMN-JKSUJKDBSA-N 1 0 371.460 2.156 20 30 FEEDRO Cc1ccc([C@@H](CNc2ccc(S(N)(=O)=O)cc2C#N)[NH+](C)C)cc1 ZINC000301372902 553646226 /nfs/dbraw/zinc/64/62/26/553646226.db2.gz QEHZAFISHYWGER-GOSISDBHSA-N 1 0 358.467 2.229 20 30 FEEDRO CCCC[N@@H+]1CCCC[C@@H]1CNc1ccc(S(N)(=O)=O)cc1C#N ZINC000301394024 553647743 /nfs/dbraw/zinc/64/77/43/553647743.db2.gz CXVIWUWZQTVQCH-OAHLLOKOSA-N 1 0 350.488 2.272 20 30 FEEDRO Cn1cc(C#N)c(NC(=O)N2CC[C@@H]([N@H+](C)CCc3ccccc3)C2)n1 ZINC000602885483 553659889 /nfs/dbraw/zinc/65/98/89/553659889.db2.gz FKDDYNLYLKAZIN-QGZVFWFLSA-N 1 0 352.442 2.072 20 30 FEEDRO CCNC(=O)c1ccc(CNC(=[NH2+])N[C@H]2CCOc3ccccc32)cc1 ZINC000304505255 553747440 /nfs/dbraw/zinc/74/74/40/553747440.db2.gz UEBMBQSCWRBWEA-KRWDZBQOSA-N 1 0 352.438 2.364 20 30 FEEDRO CC(C)(C)OC(=O)N1CCN2C(NCCC[C@@H]3CCCCO3)=[NH+]C[C@@H]2C1 ZINC000305842631 553748101 /nfs/dbraw/zinc/74/81/01/553748101.db2.gz ZYKXAJVMJIGBSC-CVEARBPZSA-N 1 0 366.506 2.216 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1Cl ZINC000321644704 553766838 /nfs/dbraw/zinc/76/68/38/553766838.db2.gz BJCVXXGFQRWELX-XJKSGUPXSA-N 1 0 353.875 2.364 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c(Cl)c1 ZINC000321878896 553767377 /nfs/dbraw/zinc/76/73/77/553767377.db2.gz PVSHNPNKIJMBQH-HIFRSBDPSA-N 1 0 353.875 2.364 20 30 FEEDRO COC[C@@H]1CN(C(=O)NCC[NH+]2CCC3(CCCCC3)CC2)CCO1 ZINC000328608207 553795702 /nfs/dbraw/zinc/79/57/02/553795702.db2.gz LVISCHJJDVGTLS-KRWDZBQOSA-N 1 0 353.507 2.294 20 30 FEEDRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)[C@@H]1CCN(c2ccc3c(c2)OCCO3)C1=O ZINC000328660342 553803613 /nfs/dbraw/zinc/80/36/13/553803613.db2.gz VFMOJBCONLAQFA-BBRMVZONSA-N 1 0 371.437 2.004 20 30 FEEDRO C[C@H](NC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1)c1cncc(F)c1 ZINC000328667963 553804784 /nfs/dbraw/zinc/80/47/84/553804784.db2.gz DKNMCVASMKFHSO-LSDHHAIUSA-N 1 0 350.438 2.240 20 30 FEEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)NCC(C)(C)N2CCOCC2)C1 ZINC000328684869 553806619 /nfs/dbraw/zinc/80/66/19/553806619.db2.gz PXGJUDLDSOAEEH-IEBWSBKVSA-N 1 0 374.529 2.436 20 30 FEEDRO CC[N@@H+]1CCC[C@@H](CNC(=O)NCc2cc(F)cc3c2OCOC3)C1 ZINC000328694014 553808158 /nfs/dbraw/zinc/80/81/58/553808158.db2.gz FVZLMPGMLIRSKG-ZDUSSCGKSA-N 1 0 351.422 2.428 20 30 FEEDRO O=C(NCC1([NH+]2CCCC2)CCOCC1)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000328692396 553808381 /nfs/dbraw/zinc/80/83/81/553808381.db2.gz RQLSOQWBUNDPPZ-BBWFWOEESA-N 1 0 363.502 2.093 20 30 FEEDRO C[C@@H]1C[N@@H+](C2CCN(C(=O)N[C@H]3CCCC34CCOCC4)CC2)CCO1 ZINC000328737307 553814566 /nfs/dbraw/zinc/81/45/66/553814566.db2.gz ZZHAHYYYDWRHPR-AEFFLSMTSA-N 1 0 365.518 2.435 20 30 FEEDRO O=C(NC[C@@H]1CCC2(CCOCC2)[C@@H]1O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000328745089 553816085 /nfs/dbraw/zinc/81/60/85/553816085.db2.gz KSQMQVVIZDIHQG-CGTJXYLNSA-N 1 0 365.518 2.075 20 30 FEEDRO C[C@H](CNC(=O)[C@H]1CCN(c2ccc3c(c2)OCCO3)C1=O)[N@H+](C)C1CC1 ZINC000328773471 553820250 /nfs/dbraw/zinc/82/02/50/553820250.db2.gz HLEYKAYDUMTWJK-CZUORRHYSA-N 1 0 373.453 2.250 20 30 FEEDRO CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)NC[C@H](C)N1CC[NH+](C)CC1 ZINC000328782058 553821404 /nfs/dbraw/zinc/82/14/04/553821404.db2.gz NAMJSTAEOQMWIC-JXFKEZNVSA-N 1 0 372.513 2.115 20 30 FEEDRO C[C@@H]1C(=O)NCCN1C(=O)[C@@H](Cc1c[nH]cn1)NC(=O)C1CCCCC1 ZINC000328797698 553823250 /nfs/dbraw/zinc/82/32/50/553823250.db2.gz WAGDORFJKYZPJJ-IUODEOHRSA-N 1 0 361.446 2.045 20 30 FEEDRO CC[NH+]1CCN([C@@H](C)CNC(=O)Nc2nc3c(s2)CCCC3)CC1 ZINC000328806527 553824980 /nfs/dbraw/zinc/82/49/80/553824980.db2.gz DGCHYHQXNSUIKM-ZDUSSCGKSA-N 1 0 351.520 2.374 20 30 FEEDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)N[C@@H]1CCCC12CCOCC2 ZINC000328819714 553827407 /nfs/dbraw/zinc/82/74/07/553827407.db2.gz ONUIGLUXKVHRPK-FUHWJXTLSA-N 1 0 365.518 2.435 20 30 FEEDRO CC(C)(C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)S(=O)(=O)C1CC1 ZINC000328822460 553827957 /nfs/dbraw/zinc/82/79/57/553827957.db2.gz QSCAOWDBNOPRDQ-CVEARBPZSA-N 1 0 372.531 2.067 20 30 FEEDRO CN(C(=O)CNC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1)C1CCCCC1 ZINC000328855702 553833478 /nfs/dbraw/zinc/83/34/78/553833478.db2.gz JZHIMWVCORBQBU-KRWDZBQOSA-N 1 0 364.534 2.355 20 30 FEEDRO CC(=O)N1CC[C@@H](C[N@@H+](C)[C@H](C)C(=O)Nc2ccc3c(c2)OCCO3)C1 ZINC000328861591 553834170 /nfs/dbraw/zinc/83/41/70/553834170.db2.gz VLWQUURZMCYJOQ-HIFRSBDPSA-N 1 0 361.442 2.235 20 30 FEEDRO CC[NH+]1CCC(CCNC(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2ccnn2C)CC1 ZINC000328859980 553834704 /nfs/dbraw/zinc/83/47/04/553834704.db2.gz YXVQTDDZJYXEOR-QAPCUYQASA-N 1 0 361.490 2.018 20 30 FEEDRO O=C(NC1CC[NH+](CC2CCS(=O)(=O)CC2)CC1)c1ccsc1 ZINC000328876982 553837553 /nfs/dbraw/zinc/83/75/53/553837553.db2.gz SWFSXDFLLPJLPM-UHFFFAOYSA-N 1 0 356.513 2.342 20 30 FEEDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)N[C@@H]1CCCN(c2ccccc2F)C1=O ZINC000328899323 553841336 /nfs/dbraw/zinc/84/13/36/553841336.db2.gz XGBVMAHEQIOVTM-NUJGCVRESA-N 1 0 374.460 2.452 20 30 FEEDRO O=C(NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)[C@@H]1CCn2cncc2C1 ZINC000328903115 553842110 /nfs/dbraw/zinc/84/21/10/553842110.db2.gz HLEQZGJLYDMGAW-NEWSRXKRSA-N 1 0 354.454 2.037 20 30 FEEDRO Cc1ccc(S(=O)(=O)NCCC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000328913212 553843829 /nfs/dbraw/zinc/84/38/29/553843829.db2.gz HZGOEGJDSWVNFE-SJORKVTESA-N 1 0 365.499 2.247 20 30 FEEDRO COc1ccc([C@H]2OCC[C@@H]2NC(=O)C[N@H+](C)[C@@H]2CCSC2)cn1 ZINC000328931338 553847225 /nfs/dbraw/zinc/84/72/25/553847225.db2.gz BCMXBBMIPIMRMI-JKIFEVAISA-N 1 0 351.472 2.314 20 30 FEEDRO CO[C@@H]1CCC[C@@H]1[C@H]1COCCN1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000328940856 553849947 /nfs/dbraw/zinc/84/99/47/553849947.db2.gz FDBOOPAYJWAGBJ-GUDVDZBRSA-N 1 0 365.518 2.086 20 30 FEEDRO C[C@@H]1C[N@H+](CC(=O)NCC2(N3CCOCC3)CCCCC2)C[C@H]1C(N)=O ZINC000328950721 553851671 /nfs/dbraw/zinc/85/16/71/553851671.db2.gz CIQWERJCPCZKMM-HZPDHXFCSA-N 1 0 366.506 2.081 20 30 FEEDRO Cn1nccc1[C@H]1[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC(=O)N1C ZINC000328981655 553857945 /nfs/dbraw/zinc/85/79/45/553857945.db2.gz DSJKNXQALNWJRB-SZVBFZGTSA-N 1 0 373.501 2.446 20 30 FEEDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccnn1C ZINC000329006666 553863239 /nfs/dbraw/zinc/86/32/39/553863239.db2.gz XWDKQDSDWMZMNG-RKVPGOIHSA-N 1 0 361.490 2.016 20 30 FEEDRO CO[C@H]1C[C@@H](CO)N(C(=O)NCC[NH+]2CCC3(CCCCC3)CC2)C1 ZINC000329030328 553867648 /nfs/dbraw/zinc/86/76/48/553867648.db2.gz WXQLZVYHGHQZDP-IRXDYDNUSA-N 1 0 353.507 2.028 20 30 FEEDRO CCc1c(NC(=O)N2CC[C@H]3OCCN(C)[C@@H]3C2)cnn1-c1ccccc1 ZINC000329041050 553869788 /nfs/dbraw/zinc/86/97/88/553869788.db2.gz OIQDUWPOSLIAQX-RTBURBONSA-N 1 0 369.469 2.385 20 30 FEEDRO C[C@]12CCC(=O)N1[C@H](C(=O)NCC1([NH+]3CCCC3)CCOCC1)CS2 ZINC000329074753 553875501 /nfs/dbraw/zinc/87/55/01/553875501.db2.gz ADDYXTQCYJEGTJ-YOEHRIQHSA-N 1 0 367.515 2.042 20 30 FEEDRO Cn1nccc1[C@@H]1[C@@H](C(=O)NCC[N@H+]2CC=CCC2)CCC(=O)N1C1CC1 ZINC000329082657 553877216 /nfs/dbraw/zinc/87/72/16/553877216.db2.gz SIBZILAGCCRYEN-LPHOPBHVSA-N 1 0 371.485 2.081 20 30 FEEDRO Cc1ncc(CNC(=O)N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)s1 ZINC000329107408 553881458 /nfs/dbraw/zinc/88/14/58/553881458.db2.gz HYFQBWQPFBYCAV-GASCZTMLSA-N 1 0 365.547 2.356 20 30 FEEDRO CN1CCOC[C@@H]1C(=O)Nc1ccccc1C[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000329131674 553886477 /nfs/dbraw/zinc/88/64/77/553886477.db2.gz OXKZILDVQOPEHC-NVXWUHKLSA-N 1 0 360.458 2.352 20 30 FEEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N2CC[C@H]3[C@@H](C2)NC(=O)N3C)C1 ZINC000329143583 553888492 /nfs/dbraw/zinc/88/84/92/553888492.db2.gz VQTVPBGFEROIMR-SPUZQDLCSA-N 1 0 371.485 2.038 20 30 FEEDRO CCc1nn(C)c(OC)c1CNC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000329145267 553889036 /nfs/dbraw/zinc/88/90/36/553889036.db2.gz NOTRHEPMLHNCAA-UHFFFAOYSA-N 1 0 363.506 2.355 20 30 FEEDRO C[C@@H]1C[C@@H](NC(=O)N(C)C[C@@H]2CCC[N@H+](C)[C@H]2c2ccnn2C)CCO1 ZINC000329162490 553893080 /nfs/dbraw/zinc/89/30/80/553893080.db2.gz FVJHZXOTHLNQLK-MUQADHOPSA-N 1 0 363.506 2.216 20 30 FEEDRO COc1ccccc1C1(C(=O)NC2CC[NH+]([C@@H]3CCN(C)C3=O)CC2)CC1 ZINC000329169781 553894476 /nfs/dbraw/zinc/89/44/76/553894476.db2.gz JTFMCMDXHHCXRW-QGZVFWFLSA-N 1 0 371.481 2.378 20 30 FEEDRO C[C@]1(NC(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)CCCOC1 ZINC000329174045 553895529 /nfs/dbraw/zinc/89/55/29/553895529.db2.gz LTFHWTIOFSXTFV-SFHVURJKSA-N 1 0 353.507 2.342 20 30 FEEDRO C[NH+](C)CCC1CCN(C(=O)N[C@H]2CC(=O)N(C3CCCCC3)C2)CC1 ZINC000329196333 553899874 /nfs/dbraw/zinc/89/98/74/553899874.db2.gz VVCUNSWQRFXLPC-KRWDZBQOSA-N 1 0 364.534 2.498 20 30 FEEDRO COc1ccccc1[C@H](CNC(=O)N1CCNC(=O)[C@@H]1C)[NH+]1CCCC1 ZINC000329197010 553900479 /nfs/dbraw/zinc/90/04/79/553900479.db2.gz WBCVZMPFSUMVEK-HOCLYGCPSA-N 1 0 360.458 2.407 20 30 FEEDRO C[NH+](C)[C@H](CNC(=O)N1CCC[C@@H]1[C@@H]1COCC[C@H]1O)c1ccsc1 ZINC000329220649 553905372 /nfs/dbraw/zinc/90/53/72/553905372.db2.gz BMWAGRFFWSMIAE-YLFCFFPRSA-N 1 0 367.515 2.127 20 30 FEEDRO O=C(NC1CC[NH+](CC2CC2)CC1)N1CC[C@H](C(F)(F)F)[C@H](CO)C1 ZINC000329238671 553908714 /nfs/dbraw/zinc/90/87/14/553908714.db2.gz LHVRDSVEGCEJSR-ZFWWWQNUSA-N 1 0 363.424 2.268 20 30 FEEDRO C[C@H](NC(=O)N[C@H]1CCc2nc(C(C)(C)C)cn2C1)c1nnc2n1CCC2 ZINC000329244162 553909813 /nfs/dbraw/zinc/90/98/13/553909813.db2.gz UGXZZKQIUCEVKB-STQMWFEESA-N 1 0 371.489 2.298 20 30 FEEDRO C[NH+](C)Cc1ccc(CNC(=O)N2CCO[C@]3(CCCOC3)C2)cc1F ZINC000329247064 553910623 /nfs/dbraw/zinc/91/06/23/553910623.db2.gz VYWCVWRIOGGGOF-LJQANCHMSA-N 1 0 365.449 2.183 20 30 FEEDRO C[C@@H]1CCC[C@H](NC(=O)CCN2CCN(C(=O)[C@@H]3CCCO3)CC2)[C@H]1C ZINC000329253734 553911583 /nfs/dbraw/zinc/91/15/83/553911583.db2.gz ZIVXOAQSHVCBOJ-OWSLCNJRSA-N 1 0 365.518 2.481 20 30 FEEDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)N[C@@H]3CCN(C(=O)C4CCCCC4)C3)[C@@H]2C1 ZINC000329257236 553912445 /nfs/dbraw/zinc/91/24/45/553912445.db2.gz BVRVMEGRUOLSMM-KBAYOESNSA-N 1 0 362.518 2.108 20 30 FEEDRO NC(=O)CC1CCN(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000329281433 553917119 /nfs/dbraw/zinc/91/71/19/553917119.db2.gz MMFXUCOXMCYAJX-SJORKVTESA-N 1 0 366.506 2.306 20 30 FEEDRO CC(C)[C@H](NC(=O)c1ccccn1)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000329310271 553922522 /nfs/dbraw/zinc/92/25/22/553922522.db2.gz PLNWCSQKHPOKGW-AEFFLSMTSA-N 1 0 358.486 2.498 20 30 FEEDRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)NC1CCN(C(=O)c2ccccc2F)CC1 ZINC000329320838 553924689 /nfs/dbraw/zinc/92/46/89/553924689.db2.gz UGZVHKBWXZNKFL-HNNXBMFYSA-N 1 0 374.460 2.171 20 30 FEEDRO N#Cc1cnn(-c2ccc(C(=O)N3CC[C@H]([NH+]4CCCCC4)C3)cc2)c1N ZINC000329329823 553926342 /nfs/dbraw/zinc/92/63/42/553926342.db2.gz VMXHTQIIJVYFER-SFHVURJKSA-N 1 0 364.453 2.027 20 30 FEEDRO C[C@H](NC(=O)NCCc1cc(F)cc2c1OCOC2)C1=CC[N@H+](C)CC1 ZINC000329338566 553928085 /nfs/dbraw/zinc/92/80/85/553928085.db2.gz NESSNCFUJHLEIQ-ZDUSSCGKSA-N 1 0 363.433 2.389 20 30 FEEDRO CC[C@@H]1CO[C@H](C)CN1C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C ZINC000329356644 553931608 /nfs/dbraw/zinc/93/16/08/553931608.db2.gz WHTOIDDKJQLSLT-KYHPRHEASA-N 1 0 363.506 2.216 20 30 FEEDRO CC(C)c1nnc2n1C[C@H](NC(=O)NC1C[C@H]3CCC[C@@H](C1)[N@H+]3C)CC2 ZINC000329364019 553932221 /nfs/dbraw/zinc/93/22/21/553932221.db2.gz ZWOZNFWQOIICIO-WZYMTQMTSA-N 1 0 360.506 2.235 20 30 FEEDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)N[C@H]1CCN(c2ccccc2)C1=O ZINC000329414821 553941670 /nfs/dbraw/zinc/94/16/70/553941670.db2.gz FEHYZNYUMPMLQD-NJAFHUGGSA-N 1 0 356.470 2.265 20 30 FEEDRO CC[C@]1(C)CN(C(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2ccnn2C)CCO1 ZINC000329417380 553942676 /nfs/dbraw/zinc/94/26/76/553942676.db2.gz DKWLQKVYQHEXPA-KVSKMBFKSA-N 1 0 363.506 2.218 20 30 FEEDRO N#Cc1ccc(N2CCC[C@H]([N@@H+]3CCC[C@@H](c4nnc[nH]4)C3)C2=O)cc1 ZINC000329468902 553952378 /nfs/dbraw/zinc/95/23/78/553952378.db2.gz XRJFOKSYGYOBDV-WBVHZDCISA-N 1 0 350.426 2.051 20 30 FEEDRO O=C(N[C@H]1CCN(c2ccccc2F)C1=O)N1CC[NH+](C2CCC2)CC1 ZINC000329535392 553963330 /nfs/dbraw/zinc/96/33/30/553963330.db2.gz LIWQAEGCXMDMRR-INIZCTEOSA-N 1 0 360.433 2.015 20 30 FEEDRO O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)N1CCCC[C@H]1c1cc[nH]n1 ZINC000329537627 553963767 /nfs/dbraw/zinc/96/37/67/553963767.db2.gz MFMSWGKSXPEGQM-KSZLIROESA-N 1 0 361.490 2.229 20 30 FEEDRO O=C(NCC1(N2CCOCC2)CCCCC1)N1CCOCC2(CCC2)C1 ZINC000329564983 553968094 /nfs/dbraw/zinc/96/80/94/553968094.db2.gz KHGINMWOXXZPTR-UHFFFAOYSA-N 1 0 365.518 2.438 20 30 FEEDRO C[N@@H+]1CCCC12CCN(C(=O)c1cnn(CC(=O)NC3CCCC3)c1)CC2 ZINC000329575409 553970135 /nfs/dbraw/zinc/97/01/35/553970135.db2.gz OBCUSASRDZSVEC-UHFFFAOYSA-N 1 0 373.501 2.483 20 30 FEEDRO CC[C@H](NC(=O)[C@@H]1CCC(=O)N1C)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000329585960 553972111 /nfs/dbraw/zinc/97/21/11/553972111.db2.gz YHUJQQVHVGEWFX-BZSNNMDCSA-N 1 0 359.470 2.243 20 30 FEEDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)N[C@H]2CCOC3(CCOCC3)C2)C1 ZINC000329591436 553973053 /nfs/dbraw/zinc/97/30/53/553973053.db2.gz ZYFWTHRRMHRUSZ-IXDOHACOSA-N 1 0 351.491 2.045 20 30 FEEDRO Cc1nnc2n1C[C@H](CNC(=O)N1CCCC[C@H]([NH+]3CCCC3)C1)CC2 ZINC000329657547 553983257 /nfs/dbraw/zinc/98/32/57/553983257.db2.gz NGKNJCVYSKKLBQ-IRXDYDNUSA-N 1 0 360.506 2.013 20 30 FEEDRO C[NH+]1CCN(c2ccc(CNC(=O)NC[C@H]3CCCCS3)cn2)CC1 ZINC000329668238 553984951 /nfs/dbraw/zinc/98/49/51/553984951.db2.gz RWUVOGXXFHDTLJ-MRXNPFEDSA-N 1 0 363.531 2.123 20 30 FEEDRO Cc1cc(CN2C[C@@H](F)C[C@H]2CN(C)C(=O)N[C@H](C)[C@H]2CCOC2)on1 ZINC000329799477 554007981 /nfs/dbraw/zinc/00/79/81/554007981.db2.gz HNTXHYSDJFEFNK-UGUYLWEFSA-N 1 0 368.453 2.166 20 30 FEEDRO O=C(NCc1cccc(-n2ccnc2)c1)N1CCC[C@H]1CN1CCOCC1 ZINC000329800322 554008187 /nfs/dbraw/zinc/00/81/87/554008187.db2.gz IJFNVKFJOZURSB-IBGZPJMESA-N 1 0 369.469 2.083 20 30 FEEDRO Cc1ccc(C(=O)N2CCN(C(=O)N[C@@H]3CC[N@H+](C)[C@@H](C)C3)CC2)cc1 ZINC000329805032 554009205 /nfs/dbraw/zinc/00/92/05/554009205.db2.gz MOALJBZMGKACKG-FUHWJXTLSA-N 1 0 358.486 2.150 20 30 FEEDRO CC(C)(C)[C@@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)CN1CCOCC1=O ZINC000329836120 554015896 /nfs/dbraw/zinc/01/58/96/554015896.db2.gz HRSBBYWSQGGYKB-GOSISDBHSA-N 1 0 373.497 2.275 20 30 FEEDRO Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N(C)C[C@@H]3CCC[N@H+](C)C3)C2)n1 ZINC000329920509 554031578 /nfs/dbraw/zinc/03/15/78/554031578.db2.gz DZQAFUDGHJJUPB-MJGOQNOKSA-N 1 0 369.513 2.278 20 30 FEEDRO CC[NH+]1CCN(c2cccc(NC(=O)NC3CCN(C(C)=O)CC3)c2)CC1 ZINC000329931880 554034321 /nfs/dbraw/zinc/03/43/21/554034321.db2.gz PEPGPETVSHGONR-UHFFFAOYSA-N 1 0 373.501 2.165 20 30 FEEDRO CC(=O)N1CC[C@H](NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000329933667 554034936 /nfs/dbraw/zinc/03/49/36/554034936.db2.gz QEPRUYFIDVPNIQ-IPELMVKDSA-N 1 0 358.486 2.164 20 30 FEEDRO C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)CC[NH+]2CCN(c3ccccc3)CC2)CC1=O ZINC000329940907 554035975 /nfs/dbraw/zinc/03/59/75/554035975.db2.gz GLZWFSVLEFMOJV-AOIWGVFYSA-N 1 0 370.497 2.165 20 30 FEEDRO CCN1CCN(C(=O)NCC(C)(C)[NH+]2CCCCC2)C[C@H]1c1ncc[nH]1 ZINC000329948297 554037406 /nfs/dbraw/zinc/03/74/06/554037406.db2.gz YWWAQRVCAPKCHT-INIZCTEOSA-N 1 0 362.522 2.267 20 30 FEEDRO C[C@H](NC(=O)N1C[C@H](O)C[C@@H]1C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000329953241 554038029 /nfs/dbraw/zinc/03/80/29/554038029.db2.gz NRUJNLRGLZNPKC-OFQRWUPVSA-N 1 0 364.465 2.008 20 30 FEEDRO Cc1oncc1CN1C[C@@H](F)C[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C1CC1 ZINC000329958373 554038847 /nfs/dbraw/zinc/03/88/47/554038847.db2.gz QOIVHOLKYRJIRF-BHYGNILZSA-N 1 0 350.438 2.479 20 30 FEEDRO O=C(N[C@@H]1CCN(Cc2ccccc2)C1=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000329962937 554039727 /nfs/dbraw/zinc/03/97/27/554039727.db2.gz SJBPWJXLGABENS-RBUKOAKNSA-N 1 0 370.497 2.119 20 30 FEEDRO O=C(NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)N1CC[C@@H](CCO)C1 ZINC000329964578 554040315 /nfs/dbraw/zinc/04/03/15/554040315.db2.gz UOVWCQWPZXXVHQ-GRTSSRMGSA-N 1 0 363.424 2.410 20 30 FEEDRO CCCS(=O)(=O)N1CCCC[C@H]1C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000329970018 554041200 /nfs/dbraw/zinc/04/12/00/554041200.db2.gz WWOCZWJFNKYTGC-KRWDZBQOSA-N 1 0 371.547 2.412 20 30 FEEDRO Cc1ccc(N2CCC[C@H](NC(=O)N3CC[C@H](C[NH+]4CCCC4)C3)C2)nn1 ZINC000329970378 554041543 /nfs/dbraw/zinc/04/15/43/554041543.db2.gz XDDUQTYMSBBGMU-MSOLQXFVSA-N 1 0 372.517 2.086 20 30 FEEDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)NC[C@H]2COCCO2)CC1 ZINC000330040812 554053530 /nfs/dbraw/zinc/05/35/30/554053530.db2.gz FXPWFLDDNAFMJH-AEFFLSMTSA-N 1 0 353.507 2.292 20 30 FEEDRO C[NH+](C)C1(CNC(=O)N2CC[C@H](N3CCCC3=O)C2)CCCCCC1 ZINC000330039834 554053537 /nfs/dbraw/zinc/05/35/37/554053537.db2.gz CEILAJXEKZNELR-INIZCTEOSA-N 1 0 350.507 2.252 20 30 FEEDRO CC[NH+]1CCN(c2ccccc2[NH+]=C([O-])N2CCn3cnnc3[C@@H]2C)CC1 ZINC000330052851 554055446 /nfs/dbraw/zinc/05/54/46/554055446.db2.gz PRECSHJXIPTWKY-HNNXBMFYSA-N 1 0 369.473 2.042 20 30 FEEDRO CC(C)(C)C1=CC[N@H+](CCNC(=O)C2CCN(S(C)(=O)=O)CC2)CC1 ZINC000330093797 554063492 /nfs/dbraw/zinc/06/34/92/554063492.db2.gz RZCSLCOCQUEPNG-UHFFFAOYSA-N 1 0 371.547 2.293 20 30 FEEDRO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2C[C@H](C)C[C@H]2c2cccnc2)CC1 ZINC000330096299 554064010 /nfs/dbraw/zinc/06/40/10/554064010.db2.gz XCWLLOQUQKDVIG-YZGWKJHDSA-N 1 0 369.513 2.157 20 30 FEEDRO Cn1cc([C@@H]2NC(=O)CC[C@H]2NC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)cn1 ZINC000330108726 554066006 /nfs/dbraw/zinc/06/60/06/554066006.db2.gz NZXOMHFQLHVZEI-NUJGCVRESA-N 1 0 374.489 2.054 20 30 FEEDRO CC(C)(CNC(=O)N[C@@H]1CCOC2(CCOCC2)C1)C[NH+]1CCCC1 ZINC000330109119 554066062 /nfs/dbraw/zinc/06/60/62/554066062.db2.gz OSWKCACTUFGJNP-MRXNPFEDSA-N 1 0 353.507 2.340 20 30 FEEDRO Cc1ccc(NC(=O)N2CC[C@H]3CC[N@@H+](C)C[C@H]32)cc1N1CCNC1=O ZINC000330196843 554083062 /nfs/dbraw/zinc/08/30/62/554083062.db2.gz QYVSROWOQSHVJV-RHSMWYFYSA-N 1 0 357.458 2.301 20 30 FEEDRO C[C@@H]1C[C@@H](CCNC(=O)N2CC[N@@H+](C3CCOCC3)C[C@H]2C)CCO1 ZINC000330231923 554089729 /nfs/dbraw/zinc/08/97/29/554089729.db2.gz RGCNYJWKDIFREZ-ZACQAIPSSA-N 1 0 353.507 2.291 20 30 FEEDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NC[C@@H]1Cc2ccccc2O1 ZINC000330239579 554090803 /nfs/dbraw/zinc/09/08/03/554090803.db2.gz DVSHCYKCIREULM-YJBOKZPZSA-N 1 0 359.470 2.089 20 30 FEEDRO CC[N@@H+]1C[C@H](C)N(C(=O)NCc2cc(C)nc(N3CCCC3)n2)C[C@H]1C ZINC000330258478 554094584 /nfs/dbraw/zinc/09/45/84/554094584.db2.gz MLXQLYMBTFOIFR-CVEARBPZSA-N 1 0 360.506 2.214 20 30 FEEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)N[C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)C1 ZINC000330258578 554094782 /nfs/dbraw/zinc/09/47/82/554094782.db2.gz RLMSOVFAEQYBAG-YRGVVPAESA-N 1 0 370.497 2.335 20 30 FEEDRO CC(C)[C@H]1OCC[C@@H]1CNC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000330321689 554105144 /nfs/dbraw/zinc/10/51/44/554105144.db2.gz GDPSUWMIXLHIRX-JFIYKMOQSA-N 1 0 353.507 2.052 20 30 FEEDRO C[NH+](C)C1(CNC(=O)N2CC[C@@H](O)C23CCCC3)Cc2ccccc2C1 ZINC000330353266 554110609 /nfs/dbraw/zinc/11/06/09/554110609.db2.gz OGNYFGAVOXFUSE-GOSISDBHSA-N 1 0 357.498 2.379 20 30 FEEDRO CCN(C[C@H](C)C#N)S(=O)(=O)NCC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000330378701 554113454 /nfs/dbraw/zinc/11/34/54/554113454.db2.gz ROVOLGHFOFBAGD-HRCADAONSA-N 1 0 358.552 2.059 20 30 FEEDRO C[C@H](C#N)CN(C)S(=O)(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000330387985 554114850 /nfs/dbraw/zinc/11/48/50/554114850.db2.gz NBXXUJDUAJOVGU-IIAWOOMASA-N 1 0 370.544 2.057 20 30 FEEDRO CCC(=O)N[C@@H]1CCCN(C(=O)NC[C@H](c2ccsc2)[NH+](C)C)C1 ZINC000330470318 554125341 /nfs/dbraw/zinc/12/53/41/554125341.db2.gz VSGMQQQRARSXRB-HUUCEWRRSA-N 1 0 352.504 2.255 20 30 FEEDRO CN1CC[N@H+](C)C[C@H]1CNC(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000330552856 554137343 /nfs/dbraw/zinc/13/73/43/554137343.db2.gz CLBHNGXMHNVBNW-CQSZACIVSA-N 1 0 363.462 2.464 20 30 FEEDRO CC(C)CNC(=O)N1CCC[C@@H](CC(=O)N2CCC(C[NH+](C)C)CC2)C1 ZINC000330917571 554187922 /nfs/dbraw/zinc/18/79/22/554187922.db2.gz WLJCWZRHLIPQJA-SFHVURJKSA-N 1 0 366.550 2.459 20 30 FEEDRO CCNC(=O)[C@H](C)NC(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000330936748 554191160 /nfs/dbraw/zinc/19/11/60/554191160.db2.gz SYUYGCOUGWSTMF-KCQAQPDRSA-N 1 0 352.504 2.159 20 30 FEEDRO C=CCOc1ccc(CNC(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)cc1 ZINC000508406101 561761309 /nfs/dbraw/zinc/76/13/09/561761309.db2.gz OHTTZTSFTORODN-INIZCTEOSA-N 1 0 361.486 2.238 20 30 FEEDRO CNS(=O)(=O)c1cccc(C(=O)NCC[N@@H+]2CCCC(C)(C)C2)c1 ZINC000330972747 554195656 /nfs/dbraw/zinc/19/56/56/554195656.db2.gz NHTNOGSOYLHKOG-UHFFFAOYSA-N 1 0 353.488 2.021 20 30 FEEDRO CCS(=O)(=O)c1ccc(CNC(=O)N2CC[N@H+](C)C[C@@H]2C(C)C)s1 ZINC000331012849 554200424 /nfs/dbraw/zinc/20/04/24/554200424.db2.gz SUDPXDCMKYYIPK-CQSZACIVSA-N 1 0 373.544 2.228 20 30 FEEDRO O=C(NCC1CC[NH+](CCO)CC1)Nc1ncc(C(F)(F)F)s1 ZINC000331062077 554207641 /nfs/dbraw/zinc/20/76/41/554207641.db2.gz ODZMCRXSRDVONF-UHFFFAOYSA-N 1 0 352.382 2.192 20 30 FEEDRO CC(C)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C)CC[N@@H+]1C ZINC000508577605 561766482 /nfs/dbraw/zinc/76/64/82/561766482.db2.gz PVHBZWHRNZXDMV-KRWDZBQOSA-N 1 0 354.458 2.042 20 30 FEEDRO CC(C)(O)C[NH+]1CCN(C(=O)NCc2c(F)cc(F)c(F)c2F)CC1 ZINC000331201766 554229963 /nfs/dbraw/zinc/22/99/63/554229963.db2.gz XAHDDBVTOURLKB-UHFFFAOYSA-N 1 0 363.355 2.046 20 30 FEEDRO COc1cccc(C[C@H](C)NC(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)c1 ZINC000331216492 554232536 /nfs/dbraw/zinc/23/25/36/554232536.db2.gz DTCKWYIMAKDMBV-HOTGVXAUSA-N 1 0 363.502 2.317 20 30 FEEDRO CNC(=O)NC(=O)CC[NH+]1CCN([C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000331233043 554234175 /nfs/dbraw/zinc/23/41/75/554234175.db2.gz FPOLBQRCYNGJJI-ZDUSSCGKSA-N 1 0 352.866 2.069 20 30 FEEDRO C=CCn1c(Cc2ccsc2)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000508888742 561776959 /nfs/dbraw/zinc/77/69/59/561776959.db2.gz PGVHLKJCFHXROA-QGZVFWFLSA-N 1 0 373.526 2.275 20 30 FEEDRO C=CCn1c(CC2CC2)nnc1N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000508998129 561780575 /nfs/dbraw/zinc/78/05/75/561780575.db2.gz CKOAYEAFWUBICF-UHFFFAOYSA-N 1 0 359.518 2.498 20 30 FEEDRO CS[C@@H]1CN(C(=O)[C@H](C)Oc2ccccc2C#N)C[C@H]1[NH+]1CCCC1 ZINC000331611823 554294766 /nfs/dbraw/zinc/29/47/66/554294766.db2.gz WCBDACBWZRQXBZ-YXJHDRRASA-N 1 0 359.495 2.364 20 30 FEEDRO C[C@H](C(=O)Nc1ccccc1C#N)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000332029121 554366615 /nfs/dbraw/zinc/36/66/15/554366615.db2.gz HITSRBXPCUKXSN-HZPDHXFCSA-N 1 0 356.470 2.070 20 30 FEEDRO C[NH+](C)C[C@@H](NC(=O)C(=O)Nc1ccc(C#N)cc1F)c1ccc(F)cc1 ZINC000510016504 561822110 /nfs/dbraw/zinc/82/21/10/561822110.db2.gz HCJDRQPOIMTWSF-QGZVFWFLSA-N 1 0 372.375 2.194 20 30 FEEDRO COc1cc(C#N)ccc1S(=O)(=O)N1CC(N(C)Cc2ccccc2)C1 ZINC000510515838 561837384 /nfs/dbraw/zinc/83/73/84/561837384.db2.gz AAWAEKRPZXJHTO-UHFFFAOYSA-N 1 0 371.462 2.072 20 30 FEEDRO C[C@H]1CN(C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)CC[C@H]1[NH3+] ZINC000333724268 554637040 /nfs/dbraw/zinc/63/70/40/554637040.db2.gz GYVGWJASITVIEE-YJNKEBTESA-N 1 0 357.458 2.022 20 30 FEEDRO N#Cc1ccc(OC2CCN(C(=O)N[C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)CC2)cc1 ZINC000333868587 554650873 /nfs/dbraw/zinc/65/08/73/554650873.db2.gz BGOHURVVEGJIJP-RCCFBDPRSA-N 1 0 368.481 2.499 20 30 FEEDRO C[NH+](C)CCOc1ccc(NC(=O)C(=O)NCC(C)(C)CCC#N)cc1 ZINC000510961586 561852295 /nfs/dbraw/zinc/85/22/95/561852295.db2.gz ZUSAFSCQYVJPCS-UHFFFAOYSA-N 1 0 360.458 2.012 20 30 FEEDRO C=CCOC[C@@H]1NC(=O)N(C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1=O ZINC000348573143 554688898 /nfs/dbraw/zinc/68/88/98/554688898.db2.gz NAUSSXFCJHIFRR-SWDXFRIISA-N 1 0 369.465 2.305 20 30 FEEDRO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC000359991562 554858156 /nfs/dbraw/zinc/85/81/56/554858156.db2.gz DWXWACRMNBWOTK-JONQDZQNSA-N 1 0 351.491 2.302 20 30 FEEDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C ZINC000613161022 554894531 /nfs/dbraw/zinc/89/45/31/554894531.db2.gz OHKGDCBOESNMKM-INIZCTEOSA-N 1 0 367.457 2.443 20 30 FEEDRO Cc1c(C(=O)NC2(C#N)CCCC2)nnn1-c1cccc2c1CC[N@@H+](C)C2 ZINC000363006470 555008182 /nfs/dbraw/zinc/00/81/82/555008182.db2.gz KKAVPYRODCPXDU-UHFFFAOYSA-N 1 0 364.453 2.130 20 30 FEEDRO Cc1nn(C)c(N2CCC[N@H+](C)CC2)c1CNc1ncc(C#N)cc1Cl ZINC000363129198 555036919 /nfs/dbraw/zinc/03/69/19/555036919.db2.gz CVPJWFGESVATMH-UHFFFAOYSA-N 1 0 373.892 2.403 20 30 FEEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCO[C@H]1C1CC1 ZINC000363149919 555040991 /nfs/dbraw/zinc/04/09/91/555040991.db2.gz IBYRLEOOTMQZAF-MOPGFXCFSA-N 1 0 356.470 2.199 20 30 FEEDRO CCCCCCCC[NH+]1CCC([C@@H](O)c2cn(C)c(=O)n(C)c2=O)CC1 ZINC000363167909 555044221 /nfs/dbraw/zinc/04/42/21/555044221.db2.gz QRIBVWWPDQYIOU-GOSISDBHSA-N 1 0 365.518 2.190 20 30 FEEDRO N#CCCn1ccc(=NC(=O)NC2CC[NH+](CC3CCCCC3)CC2)[nH]1 ZINC000363421835 555101641 /nfs/dbraw/zinc/10/16/41/555101641.db2.gz DXWLVXITDAQYMK-UHFFFAOYSA-N 1 0 358.490 2.963 20 30 FEEDRO N#CCCn1ccc(=NC(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)[nH]1 ZINC000363424915 555102344 /nfs/dbraw/zinc/10/23/44/555102344.db2.gz WDNDHBPXEWGPAC-GOSISDBHSA-N 1 0 366.469 2.830 20 30 FEEDRO N#Cc1ccccc1NC(=O)CC[N@@H+]1CCCC[C@H]1CN1CCCC1=O ZINC000363524932 555128136 /nfs/dbraw/zinc/12/81/36/555128136.db2.gz JGZKORXTNPEBRB-KRWDZBQOSA-N 1 0 354.454 2.364 20 30 FEEDRO CS[C@@H]1CN(Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@H]1[NH+](C)C ZINC000363689817 555164941 /nfs/dbraw/zinc/16/49/41/555164941.db2.gz OQKIQYMRYJDMEP-QZTJIDSGSA-N 1 0 355.511 2.436 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N2CCCN(c3cncc(F)c3)CC2)CC1 ZINC000363784127 555185657 /nfs/dbraw/zinc/18/56/57/555185657.db2.gz PGKWCXWZKQGOSJ-UHFFFAOYSA-N 1 0 361.465 2.093 20 30 FEEDRO CCCC[C@@H](ON=C(C)C)C(=O)N1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000363884070 555206603 /nfs/dbraw/zinc/20/66/03/555206603.db2.gz FJMYIHCFDMAULO-ZWKOTPCHSA-N 1 0 352.523 2.196 20 30 FEEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]C2CCN(CC(=O)N3CCCC3)CC2)cc1 ZINC000364187890 555265708 /nfs/dbraw/zinc/26/57/08/555265708.db2.gz KELCYEJWGJJONO-KRWDZBQOSA-N 1 0 370.497 2.154 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCC[N@@H+]([C@@H](C)CO)CC1 ZINC000364215957 555271857 /nfs/dbraw/zinc/27/18/57/555271857.db2.gz QRJZNNSVINARKM-IRXDYDNUSA-N 1 0 365.543 2.040 20 30 FEEDRO C[C@@H]([NH2+][C@@H]1CCCN(c2ccccc2C#N)C1)C1CCS(=O)(=O)CC1 ZINC000364467094 555319051 /nfs/dbraw/zinc/31/90/51/555319051.db2.gz NFTOMXKTUGSMNJ-CRAIPNDOSA-N 1 0 361.511 2.330 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H](c2cnn(C)c2)c2ccccc2)CC1 ZINC000364647512 555362123 /nfs/dbraw/zinc/36/21/23/555362123.db2.gz PBEFRMBLERUCCO-LJQANCHMSA-N 1 0 353.470 2.459 20 30 FEEDRO C[C@@H]1CN(C2CC[NH+](CCC(=O)Nc3sccc3C#N)CC2)CCO1 ZINC000364729576 555387271 /nfs/dbraw/zinc/38/72/71/555387271.db2.gz IODHJOPKCYSWAA-CQSZACIVSA-N 1 0 362.499 2.133 20 30 FEEDRO Cc1cc(C#N)ccc1S(=O)(=O)N1C[C@@H](c2ccc(F)cc2)[C@H]([NH3+])C1 ZINC000364913814 555436115 /nfs/dbraw/zinc/43/61/15/555436115.db2.gz MMPGKQBSFOTPRC-DLBZAZTESA-N 1 0 359.426 2.121 20 30 FEEDRO CCCC[C@@H](ON=C(C)C)C(=O)N1CCC[C@H](C[NH+]2CCN(C)CC2)C1 ZINC000364922865 555438787 /nfs/dbraw/zinc/43/87/87/555438787.db2.gz WOCOFWZMYZIVDB-RTBURBONSA-N 1 0 366.550 2.444 20 30 FEEDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC(=O)N1Cc1cccc(C#N)c1 ZINC000365030933 555469223 /nfs/dbraw/zinc/46/92/23/555469223.db2.gz ZNMYYWZHWDMPMS-OALUTQOASA-N 1 0 368.481 2.040 20 30 FEEDRO N#Cc1ncn(CC[NH2+]Cc2ccc(Br)c3cccnc23)n1 ZINC000512892994 561919055 /nfs/dbraw/zinc/91/90/55/561919055.db2.gz ZPSRLZCWIOMGMR-UHFFFAOYSA-N 1 0 357.215 2.250 20 30 FEEDRO N#CCN(CC#N)C(=O)[C@@H]1CCCN(Cc2coc(-c3ccccc3)n2)C1 ZINC000365105038 555486410 /nfs/dbraw/zinc/48/64/10/555486410.db2.gz MGMCATJRPQCWLQ-QGZVFWFLSA-N 1 0 363.421 2.429 20 30 FEEDRO Cc1cncc(-c2cc(NC(=O)N(CCC#N)CCC[NH+](C)C)no2)c1 ZINC000365117337 555489062 /nfs/dbraw/zinc/48/90/62/555489062.db2.gz CRFMEASVJYGXEX-UHFFFAOYSA-N 1 0 356.430 2.744 20 30 FEEDRO C=CCN(C(=O)[C@@H]1CCCN1C(C)=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000365258461 555524899 /nfs/dbraw/zinc/52/48/99/555524899.db2.gz OSSHSCVPLAQSBK-UXHICEINSA-N 1 0 355.482 2.286 20 30 FEEDRO CN1CCC2(CC[NH+](CCC(=O)Nc3ccc(C#N)c(Cl)c3)CC2)C1=O ZINC000365706532 555645887 /nfs/dbraw/zinc/64/58/87/555645887.db2.gz RFEYZYLSWVPWFP-UHFFFAOYSA-N 1 0 374.872 2.485 20 30 FEEDRO C#CCNC(=O)C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC000365748489 555658724 /nfs/dbraw/zinc/65/87/24/555658724.db2.gz HQZAICITZBTJKV-FQEVSTJZSA-N 1 0 367.493 2.029 20 30 FEEDRO C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000366064394 555741179 /nfs/dbraw/zinc/74/11/79/555741179.db2.gz ALUKUTRFVSUURE-PKOBYXMFSA-N 1 0 372.538 2.445 20 30 FEEDRO COC(=O)c1cc(C[NH2+]C2CCN(c3ccc(C#N)cn3)CC2)n(C)c1C ZINC000366088739 555747857 /nfs/dbraw/zinc/74/78/57/555747857.db2.gz HTUDALZLZRFKEK-UHFFFAOYSA-N 1 0 367.453 2.145 20 30 FEEDRO CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)Nc3ccc(F)cc3C#N)C2)CC1 ZINC000366099688 555751116 /nfs/dbraw/zinc/75/11/16/555751116.db2.gz VUEMJZASIPZWKM-QGZVFWFLSA-N 1 0 359.449 2.330 20 30 FEEDRO C#CCn1ccc(CN(CC)[C@H](C)C(=O)N2CCc3sccc3C2)n1 ZINC000366104549 555752785 /nfs/dbraw/zinc/75/27/85/555752785.db2.gz PVYFNSZGNPAPPB-OAHLLOKOSA-N 1 0 356.495 2.373 20 30 FEEDRO CCc1nc(CN2C[C@@H]3C[NH+](CCCC4(C#N)CCOCC4)C[C@H]3C2)no1 ZINC000366897309 555963136 /nfs/dbraw/zinc/96/31/36/555963136.db2.gz QEBBEBXDQATYIH-IRXDYDNUSA-N 1 0 373.501 2.096 20 30 FEEDRO N#Cc1ccc2ncc(C[NH2+][C@H]3CCCN(Cc4ccccc4)C3=O)n2c1 ZINC000366934526 555974941 /nfs/dbraw/zinc/97/49/41/555974941.db2.gz PTBWSMJPLKYYSP-IBGZPJMESA-N 1 0 359.433 2.487 20 30 FEEDRO C[C@H]1C[C@@H](NC(=O)N2CCC(C#N)(c3ccccn3)CC2)C[N@@H+]1C1CC1 ZINC000367154878 556002448 /nfs/dbraw/zinc/00/24/48/556002448.db2.gz YCOWDMCVPVHGJS-JKSUJKDBSA-N 1 0 353.470 2.274 20 30 FEEDRO COc1cccc([C@@H]2[C@H]([NH2+]CCC(=O)N(C)CCC#N)CCN2C2CC2)c1 ZINC000367252097 556004089 /nfs/dbraw/zinc/00/40/89/556004089.db2.gz LBAKZAGQHNGXLH-TZIWHRDSSA-N 1 0 370.497 2.325 20 30 FEEDRO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[NH2+][C@H]2CCC(=O)NC23CCC3)cc1 ZINC000367251482 556004096 /nfs/dbraw/zinc/00/40/96/556004096.db2.gz GDJVAAVPDLYHTB-WMZOPIPTSA-N 1 0 368.481 2.421 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H](c2ccccc2)[C@@H]2CCOC2)nc1 ZINC000367307793 556014472 /nfs/dbraw/zinc/01/44/72/556014472.db2.gz LHBDKYWCWDEMRW-MJGOQNOKSA-N 1 0 371.462 2.094 20 30 FEEDRO COCC[N@H+]([C@H]1CCO[C@H]1C)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000514838991 561982391 /nfs/dbraw/zinc/98/23/91/561982391.db2.gz UDCJNTVWYLZFIA-ZYSHUDEJSA-N 1 0 357.454 2.179 20 30 FEEDRO Cn1cc(C[NH2+]CC2(S(C)(=O)=O)CCCC2)c(-c2ccc(C#N)cc2)n1 ZINC000367520076 556072351 /nfs/dbraw/zinc/07/23/51/556072351.db2.gz UEWWQEQAJKJJJG-UHFFFAOYSA-N 1 0 372.494 2.406 20 30 FEEDRO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCC2(C[C@H]2C(=O)N2CCCC2)CC1 ZINC000367562158 556083555 /nfs/dbraw/zinc/08/35/55/556083555.db2.gz GEZZFKZKKKMBHQ-ROUUACIJSA-N 1 0 359.514 2.300 20 30 FEEDRO Cc1cc(S(=O)(=O)N2C[C@@H](c3ccc(F)cc3)[C@H]([NH3+])C2)ccc1C#N ZINC000367686066 556114132 /nfs/dbraw/zinc/11/41/32/556114132.db2.gz IMWNVFJPHYQQTD-ZWKOTPCHSA-N 1 0 359.426 2.121 20 30 FEEDRO Cc1cn2c(n1)CC[C@@H](NC(=O)[C@@H]1CCN(c3ccc(C#N)cc3F)C1)C2 ZINC000367721007 556122913 /nfs/dbraw/zinc/12/29/13/556122913.db2.gz NCEDXFIWYUAIEP-HZPDHXFCSA-N 1 0 367.428 2.160 20 30 FEEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000367823192 556147619 /nfs/dbraw/zinc/14/76/19/556147619.db2.gz CWMASHXMKVUVBH-MAUKXSAKSA-N 1 0 357.502 2.431 20 30 FEEDRO C#CC[C@H](Cc1ccccc1)NC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000367867442 556159261 /nfs/dbraw/zinc/15/92/61/556159261.db2.gz XVLPGIDNMWPKAN-LEWJYISDSA-N 1 0 369.509 2.375 20 30 FEEDRO CC(C)(C)[NH+]1CCC(NC(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)CC1 ZINC000368304192 556273439 /nfs/dbraw/zinc/27/34/39/556273439.db2.gz KNIYJGPMLDTZMT-KRWDZBQOSA-N 1 0 371.485 2.379 20 30 FEEDRO C[C@H](N[C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@@H]1C)C(=O)Nc1ccccc1C#N ZINC000368417261 556302258 /nfs/dbraw/zinc/30/22/58/556302258.db2.gz QMESTDBXNWCCAR-PBWTXFEYSA-N 1 0 370.497 2.364 20 30 FEEDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)CCC(=O)N(CCC#N)c3ccccc3)C[C@H]21 ZINC000368588664 556354983 /nfs/dbraw/zinc/35/49/83/556354983.db2.gz GTYOYNBGAGDOMC-IEBWSBKVSA-N 1 0 368.481 2.266 20 30 FEEDRO N#CC[C@@H]1C[C@H]2[C@@H](CCC[C@H]2[NH2+]Cc2cnc(N3CCOCC3)c(F)c2)O1 ZINC000368630405 556369299 /nfs/dbraw/zinc/36/92/99/556369299.db2.gz DRQCRWXXMZKVKY-PSBWJHGTSA-N 1 0 374.460 2.387 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)[C@H]2CCCN2C(=O)c2ccc(OC)cc2)CC1 ZINC000369206743 556535823 /nfs/dbraw/zinc/53/58/23/556535823.db2.gz WKNVOQQPBREVDL-LJQANCHMSA-N 1 0 371.481 2.066 20 30 FEEDRO Cc1nn(C)c(C)c1C[C@@H](C)[NH2+]C[C@H](O)COc1ccc(CC#N)cc1 ZINC000516050143 562028928 /nfs/dbraw/zinc/02/89/28/562028928.db2.gz OHPSLHIORUXMMN-KDOFPFPSSA-N 1 0 356.470 2.064 20 30 FEEDRO C[N@@H+]1CC[C@H](CNC(=O)N2CCO[C@H](C#N)C2)[C@H]1c1cccc(Cl)c1 ZINC000369403171 556592494 /nfs/dbraw/zinc/59/24/94/556592494.db2.gz UNMNSGRFKPLFNM-DJIMGWMZSA-N 1 0 362.861 2.267 20 30 FEEDRO Cn1cc([C@H]2[C@@H](CNC(=O)Nc3cccc(C#N)c3)CCC[N@@H+]2C)cn1 ZINC000369425938 556597698 /nfs/dbraw/zinc/59/76/98/556597698.db2.gz YBYOAFAHYGJOQX-CRAIPNDOSA-N 1 0 352.442 2.496 20 30 FEEDRO CC[C@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)C(=O)Nc1ccc(CC#N)cc1 ZINC000369523965 556619700 /nfs/dbraw/zinc/61/97/00/556619700.db2.gz YBYZLEUHJQWRMW-ROUUACIJSA-N 1 0 354.454 2.166 20 30 FEEDRO COc1cc(C#N)ccc1OCC[NH+]1CCC(NC(=O)C2CCC2)CC1 ZINC000369585913 556639297 /nfs/dbraw/zinc/63/92/97/556639297.db2.gz VGXBWRDYQGJJNA-UHFFFAOYSA-N 1 0 357.454 2.326 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)c2ccc(-c3ccncc3)[nH]c2=O)CC1 ZINC000369589869 556640539 /nfs/dbraw/zinc/64/05/39/556640539.db2.gz ARQRRPDUPMTKBP-UHFFFAOYSA-N 1 0 350.422 2.067 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000516252637 562037622 /nfs/dbraw/zinc/03/76/22/562037622.db2.gz JOYAYTZWFWGNHV-ZRNYENFQSA-N 1 0 358.482 2.109 20 30 FEEDRO C=CCc1ccc(OCC(=O)N2CCC[C@H]2CN2CCOCC2)c(OC)c1 ZINC000369709857 556674418 /nfs/dbraw/zinc/67/44/18/556674418.db2.gz UKXJWCPSBOXNMO-SFHVURJKSA-N 1 0 374.481 2.126 20 30 FEEDRO CCN(CC)C(=O)[C@H](c1ccccc1)[NH+]1CCC(n2cnc(C#N)n2)CC1 ZINC000369730869 556679825 /nfs/dbraw/zinc/67/98/25/556679825.db2.gz RWOFDJDNFYWQIR-IBGZPJMESA-N 1 0 366.469 2.396 20 30 FEEDRO C[C@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)[NH+]1CCC(n2cnc(C#N)n2)CC1 ZINC000369731312 556679998 /nfs/dbraw/zinc/67/99/98/556679998.db2.gz UPDCLWHROBUQDI-DLTWYDFYSA-N 1 0 358.490 2.116 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)[C@H]2CCCN2C(=O)C2CCCCC2)CC1 ZINC000369752258 556685318 /nfs/dbraw/zinc/68/53/18/556685318.db2.gz FFNYQGHRUSEUSM-LJQANCHMSA-N 1 0 359.514 2.162 20 30 FEEDRO C#CC[C@H]([NH2+]CC(=O)N1CCC(C(=O)N2CCCC2)CC1)c1ccccc1 ZINC000369842428 556709617 /nfs/dbraw/zinc/70/96/17/556709617.db2.gz UQBVYCBJDGGSOE-FQEVSTJZSA-N 1 0 367.493 2.202 20 30 FEEDRO Cc1cc(=NC(=O)N[C@@H]2c3ccccc3CC[C@@H]2[NH+](C)C)[nH]n1CCC#N ZINC000369851417 556712270 /nfs/dbraw/zinc/71/22/70/556712270.db2.gz JJNKSILXBCDSRT-PKOBYXMFSA-N 1 0 366.469 2.844 20 30 FEEDRO C[C@H](c1ccccc1)[C@H](O)C[NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000516563792 562048076 /nfs/dbraw/zinc/04/80/76/562048076.db2.gz UQYOTORUHWWYRE-MAODMQOUSA-N 1 0 363.461 2.413 20 30 FEEDRO Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N3CC[NH+](C4CCC4)CC3)C2)n1 ZINC000370002449 556754908 /nfs/dbraw/zinc/75/49/08/556754908.db2.gz OSRVMURILIEZJB-SFHVURJKSA-N 1 0 367.497 2.175 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)[C@H]2CCCN2Cc2ccc(F)cc2)CC1 ZINC000370015852 556758176 /nfs/dbraw/zinc/75/81/76/556758176.db2.gz FZFYTVXJGGYNTI-HXUWFJFHSA-N 1 0 357.473 2.394 20 30 FEEDRO C=CCOCCCC(=O)N(Cc1nccn1CC)[C@@H]1CC12CC[NH2+]CC2 ZINC000370160030 556798114 /nfs/dbraw/zinc/79/81/14/556798114.db2.gz HSMGQOUABZRRQZ-QGZVFWFLSA-N 1 0 360.502 2.357 20 30 FEEDRO CN1CC[NH+]([C@H]2CCCCN(C(=O)NCC3CCC(C#N)CC3)C2)CC1 ZINC000370248600 556821789 /nfs/dbraw/zinc/82/17/89/556821789.db2.gz VLKYGBXMGZSKFP-ACBHZAAOSA-N 1 0 361.534 2.128 20 30 FEEDRO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC[C@]2(C1)CCCN(C)C2=O ZINC000370406491 556863420 /nfs/dbraw/zinc/86/34/20/556863420.db2.gz NAIMLEDDNVUBEH-UTKZUKDTSA-N 1 0 368.481 2.266 20 30 FEEDRO C=CCN1CC(=O)N([C@H]2CC[N@H+](C3CC3)[C@@H]2c2cccc(OC)c2)C1=O ZINC000370445433 556875243 /nfs/dbraw/zinc/87/52/43/556875243.db2.gz UUBCVVMZDZZPHI-PKOBYXMFSA-N 1 0 355.438 2.423 20 30 FEEDRO C[C@@H](NS(=O)(=O)c1ccc(C#N)o1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000370668171 556935491 /nfs/dbraw/zinc/93/54/91/556935491.db2.gz UAVYQKYSVKFQPV-GDBMZVCRSA-N 1 0 359.451 2.340 20 30 FEEDRO Cc1sc(NC(=O)CN2CCC(CO)([NH2+]C(C)C)CC2)c(C#N)c1C ZINC000516935506 562065974 /nfs/dbraw/zinc/06/59/74/562065974.db2.gz ZUIYNLTZUKSXAS-UHFFFAOYSA-N 1 0 364.515 2.000 20 30 FEEDRO C=CCOc1ccc(C(=O)NC[C@H]2CCC[C@H]2[NH+]2CCOCC2)cc1OC ZINC000370760715 556960514 /nfs/dbraw/zinc/96/05/14/556960514.db2.gz SRTFYVSIZNCNLC-QZTJIDSGSA-N 1 0 374.481 2.491 20 30 FEEDRO C[C@H](Oc1ccccc1C#N)C(=O)N1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000370824303 556980750 /nfs/dbraw/zinc/98/07/50/556980750.db2.gz QLMNQPFRNBEIJE-LKCYJCQHSA-N 1 0 357.454 2.036 20 30 FEEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1cnn(-c2ncccc2F)c1 ZINC000371302203 557137848 /nfs/dbraw/zinc/13/78/48/557137848.db2.gz XXIMEGJPXUDARO-UHFFFAOYSA-N 1 0 359.409 2.106 20 30 FEEDRO COCCC[NH+]1CCC(NC(=O)[C@@]2(C#N)CCc3ccccc3C2)CC1 ZINC000371505709 557203331 /nfs/dbraw/zinc/20/33/31/557203331.db2.gz LHGCBCPLIJCSGO-NRFANRHFSA-N 1 0 355.482 2.302 20 30 FEEDRO N#Cc1ccc(-n2ccc(NC(=O)N3CC[C@@H]([NH+]4CCCC4)C3)n2)c(F)c1 ZINC000371707578 557270930 /nfs/dbraw/zinc/27/09/30/557270930.db2.gz OWQOVTPWRCNXJW-OAHLLOKOSA-N 1 0 368.416 2.585 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)CSCC(=O)N(C)C2CCCCC2)CC1 ZINC000517987588 562101960 /nfs/dbraw/zinc/10/19/60/562101960.db2.gz JRCSIEFFYISSOY-UHFFFAOYSA-N 1 0 367.559 2.277 20 30 FEEDRO C=CCN(C(=O)NCCNC(=O)C(C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000372173700 557399686 /nfs/dbraw/zinc/39/96/86/557399686.db2.gz SFDWYUXWXUDWFM-IBGZPJMESA-N 1 0 372.513 2.231 20 30 FEEDRO Cc1cc(NC(=O)NCC2(C)CC[NH+](C)CC2)nn1-c1cccc(C#N)c1 ZINC000372363523 557450626 /nfs/dbraw/zinc/45/06/26/557450626.db2.gz CRWOSFHPKAISBY-UHFFFAOYSA-N 1 0 366.469 2.906 20 30 FEEDRO CN(CC1([NH+](C)C)CCC1)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 ZINC000372600122 557517179 /nfs/dbraw/zinc/51/71/79/557517179.db2.gz NEJVHQNSCRFUIW-UHFFFAOYSA-N 1 0 370.501 2.048 20 30 FEEDRO C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2sc(C(C)(C)C)cc2C#N)C1 ZINC000519523008 562133241 /nfs/dbraw/zinc/13/32/41/562133241.db2.gz KFHGTMPNAFAGRG-LBPRGKRZSA-N 1 0 362.499 2.314 20 30 FEEDRO C=CCN(C(=O)c1ccn(CCOC)n1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000372612543 557521119 /nfs/dbraw/zinc/52/11/19/557521119.db2.gz VJGNNNPZXAAJHF-LJQANCHMSA-N 1 0 368.481 2.432 20 30 FEEDRO C=CCc1ccccc1OC[C@@H](O)C[NH2+]Cc1cccc(C(=O)NC)c1 ZINC000519546526 562134292 /nfs/dbraw/zinc/13/42/92/562134292.db2.gz ZLVKCDKXXWLBEH-IBGZPJMESA-N 1 0 354.450 2.304 20 30 FEEDRO N#Cc1ccccc1OC1CCC(NC(=O)NCC2=CC[NH2+]CC2)CC1 ZINC000519696536 562140421 /nfs/dbraw/zinc/14/04/21/562140421.db2.gz VQAXLYILVILIKK-UHFFFAOYSA-N 1 0 354.454 2.467 20 30 FEEDRO COc1cc(/C=C/C(=O)N2CC[C@@H]3CC[N@H+](C)[C@@H]3C2)ccc1OCC#N ZINC000372983793 557603504 /nfs/dbraw/zinc/60/35/04/557603504.db2.gz VIIDAJNOXHERCZ-JSYWMUGDSA-N 1 0 355.438 2.163 20 30 FEEDRO Cc1c(C#N)cccc1NC(=O)N1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000373166036 557642436 /nfs/dbraw/zinc/64/24/36/557642436.db2.gz KWWFVXWKAYFSSU-OAHLLOKOSA-N 1 0 355.486 2.499 20 30 FEEDRO C[C@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCC2(CCN(C)C2=O)CC1 ZINC000373172447 557643211 /nfs/dbraw/zinc/64/32/11/557643211.db2.gz JBFQSIPAVPZYLJ-QGZVFWFLSA-N 1 0 368.481 2.266 20 30 FEEDRO CC1(C)Oc2ccsc2[C@@H]([NH2+]C[C@@H](O)COc2ccc(C#N)cc2)[C@@H]1O ZINC000520230382 562151197 /nfs/dbraw/zinc/15/11/97/562151197.db2.gz MWVWGQIHLWPUBC-QBIMZIAESA-N 1 0 374.462 2.222 20 30 FEEDRO N#CCc1ccc(OC[C@H](O)C[NH2+]CCn2cnc3ccccc32)cc1 ZINC000520267743 562152192 /nfs/dbraw/zinc/15/21/92/562152192.db2.gz ZAOMMOFXSWAOSX-QGZVFWFLSA-N 1 0 350.422 2.132 20 30 FEEDRO COc1ccc(-c2n[nH]cc2C[NH+]2CCC(n3cnc(C#N)n3)CC2)cc1 ZINC000373483176 557702370 /nfs/dbraw/zinc/70/23/70/557702370.db2.gz IRYQHHMQMHNAHK-UHFFFAOYSA-N 1 0 363.425 2.386 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cccc(Cn3cncn3)c2)CC1 ZINC000520697797 562161757 /nfs/dbraw/zinc/16/17/57/562161757.db2.gz TYKGBRRAOQXSKZ-UHFFFAOYSA-N 1 0 354.458 2.488 20 30 FEEDRO C=CCN(Cc1nnc2n1CCOC2)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000373897762 557782548 /nfs/dbraw/zinc/78/25/48/557782548.db2.gz CMBYEDZANZZIKA-SFHVURJKSA-N 1 0 353.470 2.071 20 30 FEEDRO CC1(C)NC(=O)N(CCC[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)C1=O ZINC000374310152 557863176 /nfs/dbraw/zinc/86/31/76/557863176.db2.gz LAWBYCMSBOJOTI-UHFFFAOYSA-N 1 0 352.438 2.368 20 30 FEEDRO COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@H](C)[N@@H+]2CCCC2(C#N)CCOCC2)O1 ZINC000374558633 557899656 /nfs/dbraw/zinc/89/96/56/557899656.db2.gz ALJCHRJERMCZSR-YVSFHVDLSA-N 1 0 350.459 2.270 20 30 FEEDRO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)N2CC(=O)NCc1cccc(C#N)c1 ZINC000374800939 557933499 /nfs/dbraw/zinc/93/34/99/557933499.db2.gz XNSISRKJSSXWKQ-MOPGFXCFSA-N 1 0 361.449 2.228 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ncccc2N2CCOCC2)CC1 ZINC000375469288 558032939 /nfs/dbraw/zinc/03/29/39/558032939.db2.gz GSQGQJRWNGZSLQ-UHFFFAOYSA-N 1 0 359.474 2.080 20 30 FEEDRO C[C@H]([NH2+][C@@H]1CCCC[C@H]1N1CCOCC1)C(=O)Nc1ccccc1C#N ZINC000375474698 558034012 /nfs/dbraw/zinc/03/40/12/558034012.db2.gz RTARFHOFDDVUJA-KFKAGJAMSA-N 1 0 356.470 2.118 20 30 FEEDRO C[NH+](C)CCN1CCCN(C(=O)C(C)(C)c2cc(F)cc(C#N)c2)CC1 ZINC000375617794 558057519 /nfs/dbraw/zinc/05/75/19/558057519.db2.gz PQPCAFDLJHYJLQ-UHFFFAOYSA-N 1 0 360.477 2.071 20 30 FEEDRO CN(CC(=O)NC1(C#N)CCCCC1)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000375773590 558079546 /nfs/dbraw/zinc/07/95/46/558079546.db2.gz AMSOIDNVDAXWIN-ICSRJNTNSA-N 1 0 369.513 2.349 20 30 FEEDRO CS(=O)(=O)C1CCC([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)CC1 ZINC000375790655 558079941 /nfs/dbraw/zinc/07/99/41/558079941.db2.gz NFEFFGNZCWWITB-UHFFFAOYSA-N 1 0 361.511 2.472 20 30 FEEDRO Cn1cc(C[C@H]2CC[N@@H+]([C@H]3CCCN(c4ccc(C#N)cc4)C3=O)C2)cn1 ZINC000375819676 558084845 /nfs/dbraw/zinc/08/48/45/558084845.db2.gz ZLKNMGDKUUKHOX-XLIONFOSSA-N 1 0 363.465 2.352 20 30 FEEDRO CN(C)C(=O)c1c[nH]nc1[C@@H]1CCC[N@H+](CCOc2ccc(C#N)cc2)C1 ZINC000375966700 558106388 /nfs/dbraw/zinc/10/63/88/558106388.db2.gz CLCLVIJTLCUQIW-MRXNPFEDSA-N 1 0 367.453 2.242 20 30 FEEDRO C=C[C@H](CC(=O)N1CCN(CC[N@@H+]2CCCOCC2)CC1)c1ccccc1 ZINC000376102491 558127399 /nfs/dbraw/zinc/12/73/99/558127399.db2.gz LFLSRWFEHABGTL-HXUWFJFHSA-N 1 0 371.525 2.213 20 30 FEEDRO CN(CCC#N)C[C@H](O)C[NH2+][C@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000521995353 562188479 /nfs/dbraw/zinc/18/84/79/562188479.db2.gz DUEHCIICLAVISC-UXHICEINSA-N 1 0 358.530 2.083 20 30 FEEDRO Cc1cc(NC(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)nn1-c1cccc(C#N)c1 ZINC000377244889 558297591 /nfs/dbraw/zinc/29/75/91/558297591.db2.gz MUNHJHDIJVXFJL-HNNXBMFYSA-N 1 0 364.453 2.824 20 30 FEEDRO CSC1(CNS(=O)(=O)c2cc(C#N)ccc2Cl)CC[NH+](C)CC1 ZINC000522037332 562189980 /nfs/dbraw/zinc/18/99/80/562189980.db2.gz GTSCBRCWUQJYQV-UHFFFAOYSA-N 1 0 373.931 2.317 20 30 FEEDRO CN1CC[C@@H]([NH2+]CCS(=O)(=O)c2cccc(C#N)c2)[C@@H]1c1ccccc1 ZINC000377650465 558386760 /nfs/dbraw/zinc/38/67/60/558386760.db2.gz IZAPGWKZPJDTJT-UXHICEINSA-N 1 0 369.490 2.367 20 30 FEEDRO CN1CC[C@@H]([NH2+]CC(=O)N(CCC#N)CCC#N)[C@@H]1c1ccc(Cl)cc1 ZINC000377685346 558396568 /nfs/dbraw/zinc/39/65/68/558396568.db2.gz ZXWKKPYPJCBHSH-MJGOQNOKSA-N 1 0 373.888 2.331 20 30 FEEDRO Cc1cn2c(n1)CC[C@@H]([NH2+][C@@H](C)C(=O)N(CCC#N)c1ccccc1)C2 ZINC000377822953 558427117 /nfs/dbraw/zinc/42/71/17/558427117.db2.gz DVPVNQKWFGEJEI-DLBZAZTESA-N 1 0 351.454 2.431 20 30 FEEDRO C#CCNC(=O)c1ccc(N2C[C@@H]3C[N@@H+](C)[C@H](c4ccccc4)[C@H]3C2)nc1 ZINC000377836872 558432199 /nfs/dbraw/zinc/43/21/99/558432199.db2.gz GTOFJTVWDZKCMY-IRFCIJBXSA-N 1 0 360.461 2.184 20 30 FEEDRO C[N@H+](Cc1ccccc1)[C@H]1CCN(S(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000377851391 558434986 /nfs/dbraw/zinc/43/49/86/558434986.db2.gz SWSQDSTXYHVYRI-SFHVURJKSA-N 1 0 355.463 2.453 20 30 FEEDRO C[NH+](C)[C@@H]1CCN(C(=O)NCC2CCN(c3ccccc3C#N)CC2)C1 ZINC000377913344 558446955 /nfs/dbraw/zinc/44/69/55/558446955.db2.gz ZMYZFEVKALBNIX-GOSISDBHSA-N 1 0 355.486 2.120 20 30 FEEDRO CCCC[N@H+](C)C[C@H](C)NC(=O)NC1CCN(c2ccc(C#N)cn2)CC1 ZINC000378110711 558484004 /nfs/dbraw/zinc/48/40/04/558484004.db2.gz LACKXKAEODIROL-INIZCTEOSA-N 1 0 372.517 2.342 20 30 FEEDRO C#CCOc1ccc(C[NH+]2CCC(NC(=O)c3cc(C)on3)CC2)cc1 ZINC000378352930 558536870 /nfs/dbraw/zinc/53/68/70/558536870.db2.gz XPFLQXFRMHNERK-UHFFFAOYSA-N 1 0 353.422 2.389 20 30 FEEDRO CC(=O)N1CCCCC[C@H]1C1CC[NH+](CCC(=O)N(C)CCC#N)CC1 ZINC000378413571 558550975 /nfs/dbraw/zinc/55/09/75/558550975.db2.gz GDHAGMBVJFBEDX-IBGZPJMESA-N 1 0 362.518 2.252 20 30 FEEDRO C[N@@H+]1CC[C@@H]2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3C#N)C[C@H]21 ZINC000378459772 558562734 /nfs/dbraw/zinc/56/27/34/558562734.db2.gz ZPPHWSBYPUINRI-BXUZGUMPSA-N 1 0 373.400 2.292 20 30 FEEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+][C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000382097137 558604420 /nfs/dbraw/zinc/60/44/20/558604420.db2.gz IKIIAXLECLQTEJ-IBGZPJMESA-N 1 0 369.490 2.196 20 30 FEEDRO C[C@H](CN(C)Cc1ccccc1)[NH2+]C[C@@H](O)COc1ccc(C#N)cc1 ZINC000388277832 558608792 /nfs/dbraw/zinc/60/87/92/558608792.db2.gz POTSAFAPRKJEEG-YLJYHZDGSA-N 1 0 353.466 2.408 20 30 FEEDRO CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000409530430 558700542 /nfs/dbraw/zinc/70/05/42/558700542.db2.gz SNGBIVBRFDAACH-AEFFLSMTSA-N 1 0 364.515 2.139 20 30 FEEDRO C[C@H]1CN(c2ccc(C(F)(F)F)c(C#N)n2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000409719613 558716175 /nfs/dbraw/zinc/71/61/75/558716175.db2.gz ZCMKOFJWEWZUEM-XJKSGUPXSA-N 1 0 367.419 2.434 20 30 FEEDRO CCN(CCC#N)S(=O)(=O)NC[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000410160831 558743353 /nfs/dbraw/zinc/74/33/53/558743353.db2.gz GYFOMTWRESSETO-QGZVFWFLSA-N 1 0 356.536 2.101 20 30 FEEDRO C=CC[N@@H+](CCc1ccccc1)[C@@H](C)C(=O)NC(=O)NCC(F)(F)F ZINC000411193344 558851396 /nfs/dbraw/zinc/85/13/96/558851396.db2.gz FKNOLUGCHXQESJ-ZDUSSCGKSA-N 1 0 357.376 2.494 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)CC1 ZINC000411229617 558856939 /nfs/dbraw/zinc/85/69/39/558856939.db2.gz QNQOVXBHBMIWMQ-UHFFFAOYSA-N 1 0 374.441 2.307 20 30 FEEDRO C=CC[N@@H+](CCOC[C@H]1CCCO1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000525487018 562249403 /nfs/dbraw/zinc/24/94/03/562249403.db2.gz QZYCKIYTPUZHTQ-VQIMIIECSA-N 1 0 357.458 2.407 20 30 FEEDRO C[C@H](c1ccccc1)[C@H]([NH2+]CCC(=O)Nc1cccc(C#N)c1)C(N)=O ZINC000411754627 558957070 /nfs/dbraw/zinc/95/70/70/558957070.db2.gz HNDGWBMKJRHOHR-KUHUBIRLSA-N 1 0 350.422 2.134 20 30 FEEDRO COCC(COC)[NH+]1CCN(CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000411838184 558973822 /nfs/dbraw/zinc/97/38/22/558973822.db2.gz ASRJHTYPIXJOGY-UHFFFAOYSA-N 1 0 370.415 2.336 20 30 FEEDRO CC[C@](C)(COc1ncccc1Cl)[NH2+]CC(=O)NC1(C#N)CCC1 ZINC000525893724 562258934 /nfs/dbraw/zinc/25/89/34/562258934.db2.gz IMHFYTFRFPPMRA-MRXNPFEDSA-N 1 0 350.850 2.435 20 30 FEEDRO C=CC[C@H](Cc1ccccc1)NC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000413298791 559096798 /nfs/dbraw/zinc/09/67/98/559096798.db2.gz SWLNEXVCHNNSFH-RBUKOAKNSA-N 1 0 372.513 2.060 20 30 FEEDRO C[NH+](C)C[C@H]1CCN(C(=O)NC2CCC(Oc3ncccc3C#N)CC2)C1 ZINC000526110874 562267226 /nfs/dbraw/zinc/26/72/26/562267226.db2.gz SKXBEJXXKQGXFJ-FAEJEUNOSA-N 1 0 371.485 2.236 20 30 FEEDRO Cc1cc(C#N)ccc1S(=O)(=O)N[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000414457816 559165082 /nfs/dbraw/zinc/16/50/82/559165082.db2.gz GOWMZNARLZVMFV-ZWKOTPCHSA-N 1 0 355.463 2.243 20 30 FEEDRO C[NH+](C)[C@H]1CCC[C@@H]1NS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000414467742 559166294 /nfs/dbraw/zinc/16/62/94/559166294.db2.gz ZGOUGHAIPIDHAV-KBPBESRZSA-N 1 0 361.389 2.338 20 30 FEEDRO Cc1nc2c(C#N)cnn2c(C)c1CCc1nc([C@@H]([NH3+])CC(C)C)no1 ZINC000414619899 559175888 /nfs/dbraw/zinc/17/58/88/559175888.db2.gz OTDDJXVLROSZDM-HNNXBMFYSA-N 1 0 353.430 2.432 20 30 FEEDRO CCC(CC)CN(CCC#N)C(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000415125958 559206682 /nfs/dbraw/zinc/20/66/82/559206682.db2.gz FTWHPHFEIXOGLG-UHFFFAOYSA-N 1 0 356.470 2.449 20 30 FEEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000415169924 559211547 /nfs/dbraw/zinc/21/15/47/559211547.db2.gz WGSGGEPOYHHXSA-JKSUJKDBSA-N 1 0 373.526 2.450 20 30 FEEDRO C[NH2+][C@@H]1CCN(C(=O)C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)C1 ZINC000415292416 559221426 /nfs/dbraw/zinc/22/14/26/559221426.db2.gz BPJQQDCIVKUWDJ-MRXNPFEDSA-N 1 0 364.405 2.109 20 30 FEEDRO C[C@@H]1C[NH2+]CCN1C(=O)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000415348003 559226184 /nfs/dbraw/zinc/22/61/84/559226184.db2.gz VCWTZBRPNRENJH-CQSZACIVSA-N 1 0 364.405 2.109 20 30 FEEDRO CC(C)[C@@H]1CCc2c(C#N)c(NC(=O)C(=O)NCC[C@H](C)[NH3+])sc2C1 ZINC000415354173 559226821 /nfs/dbraw/zinc/22/68/21/559226821.db2.gz BQTHOMQABBBUES-NWDGAFQWSA-N 1 0 362.499 2.173 20 30 FEEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000415394745 559231016 /nfs/dbraw/zinc/23/10/16/559231016.db2.gz LXHMQGGGSWGEMT-KBPBESRZSA-N 1 0 374.510 2.463 20 30 FEEDRO C[NH2+]CC1CCN(C(=O)C(=O)Nc2scc(C(C)(C)C)c2C#N)CC1 ZINC000415396789 559231147 /nfs/dbraw/zinc/23/11/47/559231147.db2.gz HXXUGOVWZYGPES-UHFFFAOYSA-N 1 0 362.499 2.314 20 30 FEEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000415414500 559232909 /nfs/dbraw/zinc/23/29/09/559232909.db2.gz ZUSVOLPBQDLGLP-LSDHHAIUSA-N 1 0 374.510 2.383 20 30 FEEDRO C[C@H]1CN(C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)[C@@H](C)C[NH2+]1 ZINC000415446729 559237901 /nfs/dbraw/zinc/23/79/01/559237901.db2.gz HKSMTNZCZSGDOX-RYUDHWBXSA-N 1 0 358.833 2.611 20 30 FEEDRO CC(C)(CCC[NH3+])NC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 ZINC000415458758 559239374 /nfs/dbraw/zinc/23/93/74/559239374.db2.gz LUDNESZNYDGKLN-UHFFFAOYSA-N 1 0 360.849 3.036 20 30 FEEDRO N#Cc1ccc(-n2ccc(NC(=O)N3CCCC[C@H]3C[NH3+])n2)c(Cl)c1 ZINC000415464591 559239943 /nfs/dbraw/zinc/23/99/43/559239943.db2.gz ROOKZNYUPMJMFW-ZDUSSCGKSA-N 1 0 358.833 2.742 20 30 FEEDRO CC(C)C[C@](C)(C[NH3+])NC(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 ZINC000415464614 559240032 /nfs/dbraw/zinc/24/00/32/559240032.db2.gz RPNDMSFNRKFPSA-GOSISDBHSA-N 1 0 358.421 2.768 20 30 FEEDRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)C1 ZINC000415468779 559240522 /nfs/dbraw/zinc/24/05/22/559240522.db2.gz WVYOXWSNPONODE-WCQYABFASA-N 1 0 358.833 2.598 20 30 FEEDRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)C1 ZINC000415468781 559240529 /nfs/dbraw/zinc/24/05/29/559240529.db2.gz WVYOXWSNPONODE-YPMHNXCESA-N 1 0 358.833 2.598 20 30 FEEDRO CCCC[C@H](C[NH3+])NC(=O)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 ZINC000415504406 559244508 /nfs/dbraw/zinc/24/45/08/559244508.db2.gz WDYSNJNEUQTLDD-GFCCVEGCSA-N 1 0 372.347 2.029 20 30 FEEDRO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)Nc1cccc(OCCCC#N)c1 ZINC000415505432 559244636 /nfs/dbraw/zinc/24/46/36/559244636.db2.gz QDNYXGTYMCELHJ-QGZVFWFLSA-N 1 0 360.458 2.139 20 30 FEEDRO N#Cc1ccc(NC(=O)C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)c(Cl)c1 ZINC000415518638 559245838 /nfs/dbraw/zinc/24/58/38/559245838.db2.gz MPNWSRCKGJRSFE-OAHLLOKOSA-N 1 0 360.845 2.141 20 30 FEEDRO CC(C)[C@H]1CCc2c(C#N)c(NC(=O)C(=O)NC[C@H]([NH3+])C3CC3)sc2C1 ZINC000415537098 559247627 /nfs/dbraw/zinc/24/76/27/559247627.db2.gz GMILJJVMXLMNBG-WFASDCNBSA-N 1 0 374.510 2.173 20 30 FEEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000415551474 559248702 /nfs/dbraw/zinc/24/87/02/559248702.db2.gz DONUDRJQBROBRE-MCIONIFRSA-N 1 0 360.483 2.228 20 30 FEEDRO C=C(C)COc1cccc(NC(=O)C(=O)N2CCC3(C2)CC[NH2+]CC3)c1 ZINC000415553983 559249120 /nfs/dbraw/zinc/24/91/20/559249120.db2.gz POUAJZINGYRJCE-UHFFFAOYSA-N 1 0 357.454 2.182 20 30 FEEDRO CC(C)[C@@H]([NH3+])CNC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N ZINC000415570796 559251076 /nfs/dbraw/zinc/25/10/76/559251076.db2.gz YWRZLWZFRBBEPX-INIZCTEOSA-N 1 0 357.458 2.374 20 30 FEEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000415572971 559251234 /nfs/dbraw/zinc/25/12/34/559251234.db2.gz VAMNYVMQSVBARA-MCIONIFRSA-N 1 0 360.483 2.086 20 30 FEEDRO CC(C)(C)c1cc(C#N)c(NC(=O)C(=O)NC[C@]2(C)CCC[NH2+]C2)s1 ZINC000415573171 559251302 /nfs/dbraw/zinc/25/13/02/559251302.db2.gz PNIIRQCGPJOVEN-GOSISDBHSA-N 1 0 362.499 2.362 20 30 FEEDRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)Nc2cccc(C#Cc3ccccc3)c2)C1 ZINC000415588529 559253167 /nfs/dbraw/zinc/25/31/67/559253167.db2.gz ZZXBXWUUONPHID-VQIMIIECSA-N 1 0 361.445 2.221 20 30 FEEDRO CCCC[C@H](C[NH3+])NC(=O)Nc1ccc(S(=O)(=O)[C@H](C)C#N)cc1 ZINC000415603712 559254388 /nfs/dbraw/zinc/25/43/88/559254388.db2.gz UIRROVIQHIACOM-TZMCWYRMSA-N 1 0 352.460 2.011 20 30 FEEDRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)Nc1ccccc1C#Cc1ccccc1 ZINC000415660707 559259123 /nfs/dbraw/zinc/25/91/23/559259123.db2.gz PUNJKPDKOXXSRY-QFBILLFUSA-N 1 0 361.445 2.139 20 30 FEEDRO O=C(Nc1ccccc1C#Cc1ccccc1)C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000415775830 559270143 /nfs/dbraw/zinc/27/01/43/559270143.db2.gz HFQNPCKSRYBHGL-VQTJNVASSA-N 1 0 373.456 2.235 20 30 FEEDRO CC(C)(C)c1cc(C#N)c(NC(=O)C(=O)N[C@H](C[NH3+])C2CCCC2)s1 ZINC000415823919 559275515 /nfs/dbraw/zinc/27/55/15/559275515.db2.gz SLINCKFKJLAGEN-CYBMUJFWSA-N 1 0 362.499 2.489 20 30 FEEDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000416684749 559329501 /nfs/dbraw/zinc/32/95/01/559329501.db2.gz LRNNGTVMXFFVLB-HKUYNNGSSA-N 1 0 356.470 2.346 20 30 FEEDRO C=CCc1cc(CNC(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)cc(OC)c1OC ZINC000417392472 559360642 /nfs/dbraw/zinc/36/06/42/559360642.db2.gz SSZANYHEDWFNAV-QGZVFWFLSA-N 1 0 359.470 2.468 20 30 FEEDRO C=CCn1c(-c2c(OC)cccc2OC)nnc1N1CC[NH+](CC)CC1 ZINC000417459076 559362913 /nfs/dbraw/zinc/36/29/13/559362913.db2.gz LRMPTNLSJBMSOE-UHFFFAOYSA-N 1 0 357.458 2.290 20 30 FEEDRO C[C@H](NC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1)[C@@H]1CCC[NH2+]C1 ZINC000417571068 559367088 /nfs/dbraw/zinc/36/70/88/559367088.db2.gz FBGBHDCQCHVNJN-USXIJHARSA-N 1 0 373.476 2.353 20 30 FEEDRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)C1 ZINC000417570205 559367121 /nfs/dbraw/zinc/36/71/21/559367121.db2.gz DANSBRZTESQMPG-IMJJTQAJSA-N 1 0 359.449 2.045 20 30 FEEDRO CC1(NC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)CC[NH2+]CC1 ZINC000417570209 559367150 /nfs/dbraw/zinc/36/71/50/559367150.db2.gz DAYQMHNVUHSIKZ-OAHLLOKOSA-N 1 0 359.449 2.107 20 30 FEEDRO CC1(NC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)CC[NH2+]CC1 ZINC000417570207 559367151 /nfs/dbraw/zinc/36/71/51/559367151.db2.gz DAYQMHNVUHSIKZ-HNNXBMFYSA-N 1 0 359.449 2.107 20 30 FEEDRO C[NH2+]C[C@@H]1CCCN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)C1 ZINC000417578737 559367373 /nfs/dbraw/zinc/36/73/73/559367373.db2.gz OFNPTZMWBGLOLS-IRXDYDNUSA-N 1 0 373.476 2.307 20 30 FEEDRO CN(CC(C)(C)C[NH3+])C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000417580423 559367499 /nfs/dbraw/zinc/36/74/99/559367499.db2.gz QZVCJAXJJCFXJI-HNNXBMFYSA-N 1 0 361.465 2.292 20 30 FEEDRO N#Cc1ccc(N2CCN(C(=O)N[C@@H]3CCCC[C@H]3C[NH3+])CC2)c(F)c1 ZINC000418420225 559400773 /nfs/dbraw/zinc/40/07/73/559400773.db2.gz YUBRFUNZOPFNLU-DOTOQJQBSA-N 1 0 359.449 2.046 20 30 FEEDRO N#Cc1ccc(CN2CCN(C(=O)NC[C@H]([NH3+])c3ccccc3)CC2)cc1 ZINC000418451655 559402250 /nfs/dbraw/zinc/40/22/50/559402250.db2.gz NAYDKERNTZSCCH-FQEVSTJZSA-N 1 0 363.465 2.085 20 30 FEEDRO N#Cc1c(F)cccc1N1CCN(C(=O)N[C@H](C[NH3+])C2CCCC2)CC1 ZINC000418620480 559408217 /nfs/dbraw/zinc/40/82/17/559408217.db2.gz KTFAXJGNCLWOBC-QGZVFWFLSA-N 1 0 359.449 2.046 20 30 FEEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1 ZINC000419241345 559433809 /nfs/dbraw/zinc/43/38/09/559433809.db2.gz BXIOLFAAILMMFB-OCCSQVGLSA-N 1 0 360.408 2.423 20 30 FEEDRO N#CCC[C@H](NC(=O)C(=O)N(CC[NH3+])Cc1ccccc1)c1ccccc1 ZINC000419476454 559444382 /nfs/dbraw/zinc/44/43/82/559444382.db2.gz POROMOVLPGVWNJ-IBGZPJMESA-N 1 0 364.449 2.135 20 30 FEEDRO C=C(C)[C@@H](NC(=O)C(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(F)c(F)c1 ZINC000419673414 559453106 /nfs/dbraw/zinc/45/31/06/559453106.db2.gz HHUWXBFSJSIPDE-DVJFUJMWSA-N 1 0 363.408 2.097 20 30 FEEDRO C=C(C)[C@@H](NC(=O)C(=O)N[C@H](C[NH3+])C1CCCC1)c1ccc(F)c(F)c1 ZINC000419678964 559453536 /nfs/dbraw/zinc/45/35/36/559453536.db2.gz OWIWNSNSOCSQCU-IAGOWNOFSA-N 1 0 365.424 2.332 20 30 FEEDRO C=C(C)[C@@H](NC(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1)c1ccc(F)c(F)c1 ZINC000419678962 559453639 /nfs/dbraw/zinc/45/36/39/559453639.db2.gz OWIWNSNSOCSQCU-DLBZAZTESA-N 1 0 365.424 2.332 20 30 FEEDRO COc1cc(C#N)ccc1S(=O)(=O)N1CCNCc2c(C)cccc21 ZINC000420464873 559488972 /nfs/dbraw/zinc/48/89/72/559488972.db2.gz USZHWXINCAHECO-UHFFFAOYSA-N 1 0 357.435 2.174 20 30 FEEDRO CC[NH+]1CCC(N2CCCN(Cc3c(C#N)cccc3[N+](=O)[O-])CC2)CC1 ZINC000420984404 559517181 /nfs/dbraw/zinc/51/71/81/559517181.db2.gz SZGSWOJUKJYUQP-UHFFFAOYSA-N 1 0 371.485 2.458 20 30 FEEDRO CCOC(=O)c1c(NC(=O)NCC2CC[NH+](C)CC2)c(C#N)cn1CC ZINC000421167104 559528244 /nfs/dbraw/zinc/52/82/44/559528244.db2.gz SBPHRVVDVGRLSU-UHFFFAOYSA-N 1 0 361.446 2.020 20 30 FEEDRO CCOC(=O)c1c(NC(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)c(C#N)cn1CC ZINC000421172327 559528593 /nfs/dbraw/zinc/52/85/93/559528593.db2.gz JLXUSLXHMJUASV-UKRRQHHQSA-N 1 0 373.457 2.114 20 30 FEEDRO Cc1c(Cl)c(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)nn1C ZINC000421461850 559542891 /nfs/dbraw/zinc/54/28/91/559542891.db2.gz BTGUWZBJTPWPKG-UHFFFAOYSA-N 1 0 359.861 2.458 20 30 FEEDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)COc1cccc(Br)c1C#N ZINC000421711000 559550416 /nfs/dbraw/zinc/55/04/16/559550416.db2.gz NLXWYIWBXWKRFB-LBPRGKRZSA-N 1 0 366.259 2.252 20 30 FEEDRO N#Cc1ccc(CNC(=O)CC[NH+]2CCN(c3ccccc3)CC2)s1 ZINC000421923098 559556727 /nfs/dbraw/zinc/55/67/27/559556727.db2.gz SJZVOWBLDPTBHS-UHFFFAOYSA-N 1 0 354.479 2.448 20 30 FEEDRO C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)NC1CC[NH+](CC(=C)C)CC1 ZINC000422290660 559576085 /nfs/dbraw/zinc/57/60/85/559576085.db2.gz BJZVFTSRJLOHPS-HXUWFJFHSA-N 1 0 369.509 2.447 20 30 FEEDRO C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000422292059 559576236 /nfs/dbraw/zinc/57/62/36/559576236.db2.gz FZYRSTKOCDHQOI-SFHVURJKSA-N 1 0 357.498 2.281 20 30 FEEDRO C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000422349895 559580514 /nfs/dbraw/zinc/58/05/14/559580514.db2.gz LIPCYIYVQBCDOQ-HDYDNRTBSA-N 1 0 369.509 2.423 20 30 FEEDRO C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000422523946 559592792 /nfs/dbraw/zinc/59/27/92/559592792.db2.gz DVAJCFZDFCWLJV-AQNXPRMDSA-N 1 0 369.509 2.233 20 30 FEEDRO C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CC[C@H]([NH+](CC)CC)C1 ZINC000422536080 559593466 /nfs/dbraw/zinc/59/34/66/559593466.db2.gz CTIPPJOYNCSUKV-OALUTQOASA-N 1 0 357.498 2.233 20 30 FEEDRO C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000422546462 559594253 /nfs/dbraw/zinc/59/42/53/559594253.db2.gz UTZAPXILETZHFD-LJQANCHMSA-N 1 0 369.509 2.377 20 30 FEEDRO C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N(C)CCC[NH+]1CCCC1 ZINC000422548476 559594299 /nfs/dbraw/zinc/59/42/99/559594299.db2.gz ZASQDCVIXORGRR-LJQANCHMSA-N 1 0 357.498 2.234 20 30 FEEDRO C=CCN(C(=O)CC[C@@H]([NH3+])CC1CCCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000424102160 559654938 /nfs/dbraw/zinc/65/49/38/559654938.db2.gz OBNPSMBDGOXOFZ-IAGOWNOFSA-N 1 0 356.532 2.266 20 30 FEEDRO N#CCCC[C@@H]([NH3+])C(=O)NC1CCN(Cc2ccc(F)c(F)c2)CC1 ZINC000424127415 559655675 /nfs/dbraw/zinc/65/56/75/559655675.db2.gz CZRKGVWOQVADBL-QGZVFWFLSA-N 1 0 350.413 2.067 20 30 FEEDRO CCOC(=O)c1ccn(-c2ccccc2NC(=O)[C@H]([NH3+])CCCC#N)n1 ZINC000424143342 559656136 /nfs/dbraw/zinc/65/61/36/559656136.db2.gz QVRRIWPNGVWFQT-CYBMUJFWSA-N 1 0 355.398 2.009 20 30 FEEDRO C=CCCn1cc(C(=O)N[C@H]2C[NH2+]CC[C@H]2c2ccc(F)c(F)c2)nn1 ZINC000424150356 559656254 /nfs/dbraw/zinc/65/62/54/559656254.db2.gz DGLILNFZHXZGIX-BBRMVZONSA-N 1 0 361.396 2.008 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000424500594 559667641 /nfs/dbraw/zinc/66/76/41/559667641.db2.gz JTKXZZMARBEFDB-DKKFBQAASA-N 1 0 350.503 2.315 20 30 FEEDRO C[NH+]1CCN(c2ccc(CNc3c(C#N)cccc3[N+](=O)[O-])cn2)CC1 ZINC000425210297 559691320 /nfs/dbraw/zinc/69/13/20/559691320.db2.gz QRXCUVGJUQJFJE-UHFFFAOYSA-N 1 0 352.398 2.225 20 30 FEEDRO C[C@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000425384964 559699156 /nfs/dbraw/zinc/69/91/56/559699156.db2.gz MUOMLUOVUVAHQH-OAHLLOKOSA-N 1 0 356.470 2.020 20 30 FEEDRO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000425389020 559699674 /nfs/dbraw/zinc/69/96/74/559699674.db2.gz TUJVVXUJLVGEBF-HRAATJIYSA-N 1 0 368.481 2.022 20 30 FEEDRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)N(C)[C@H](C)c1cccc(C#N)c1 ZINC000425503220 559706322 /nfs/dbraw/zinc/70/63/22/559706322.db2.gz RPAYQMDEQDPNLC-IAGOWNOFSA-N 1 0 357.502 2.287 20 30 FEEDRO CC[NH+](CC)CCOc1ccccc1NC(=O)C(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000425800481 559720159 /nfs/dbraw/zinc/72/01/59/559720159.db2.gz FDNVYVIXJDXCJL-JKSUJKDBSA-N 1 0 372.469 2.154 20 30 FEEDRO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000425889242 559724063 /nfs/dbraw/zinc/72/40/63/559724063.db2.gz QFSUMLGXDJDRKN-MNNVXMFVSA-N 1 0 368.481 2.211 20 30 FEEDRO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000425886985 559724085 /nfs/dbraw/zinc/72/40/85/559724085.db2.gz QXKKRNVASYVPGB-YJBOKZPZSA-N 1 0 368.481 2.211 20 30 FEEDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N(C)[C@H](C)c1cccc(C#N)c1 ZINC000425889707 559724125 /nfs/dbraw/zinc/72/41/25/559724125.db2.gz VHYYWUAXRSXDKM-CRAIPNDOSA-N 1 0 356.470 2.068 20 30 FEEDRO N#Cc1cccc(NCC(=O)Nc2cccc(C[N@H+]3CC[C@H](O)C3)c2)c1 ZINC000428542766 559777621 /nfs/dbraw/zinc/77/76/21/559777621.db2.gz VGUSHDXPYUFFRH-IBGZPJMESA-N 1 0 350.422 2.175 20 30 FEEDRO C=CCOc1cccnc1C(=O)Nc1cccc(C[N@H+]2CC[C@H](O)C2)c1 ZINC000428828823 559784350 /nfs/dbraw/zinc/78/43/50/559784350.db2.gz XVMYEGIIUJWAIG-KRWDZBQOSA-N 1 0 353.422 2.465 20 30 FEEDRO C=C(C)[C@H](CC(=O)N(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)OCC ZINC000428974348 559787119 /nfs/dbraw/zinc/78/71/19/559787119.db2.gz FGAAKKFVOVWHTM-FPOVZHCZSA-N 1 0 360.498 2.453 20 30 FEEDRO C=CCN(C(=O)c1cn(C2CC[NH2+]CC2)nn1)c1nc2c(s1)CCCC2 ZINC000429758612 559805029 /nfs/dbraw/zinc/80/50/29/559805029.db2.gz QTPWOMKYJLJZRM-UHFFFAOYSA-N 1 0 372.498 2.371 20 30 FEEDRO C=CCc1cc(CNC(=O)[C@@]2(CCOC)CC[NH2+]C2)cc(OC)c1OC ZINC000430265471 559816585 /nfs/dbraw/zinc/81/65/85/559816585.db2.gz VFZMJFFZDGUHTM-HXUWFJFHSA-N 1 0 362.470 2.065 20 30 FEEDRO CN(C)c1cc(C#N)cc(C(=O)NC2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000432653308 559862475 /nfs/dbraw/zinc/86/24/75/559862475.db2.gz JHIIFEHIAZKUAA-UHFFFAOYSA-N 1 0 363.465 2.414 20 30 FEEDRO CC(=O)N[C@H]1CCCN(C(=O)C[NH2+][C@@H](CCCC#N)c2ccccc2)C1 ZINC000433014515 559869908 /nfs/dbraw/zinc/86/99/08/559869908.db2.gz SJBAIEDEPAWYRY-OALUTQOASA-N 1 0 356.470 2.138 20 30 FEEDRO N#CCCn1cc(C[NH2+]Cc2cccc(C(N)=O)c2)c(-c2ccncc2)n1 ZINC000433312331 559876664 /nfs/dbraw/zinc/87/66/64/559876664.db2.gz QFYXHESVCRGSKW-UHFFFAOYSA-N 1 0 360.421 2.247 20 30 FEEDRO N#C[C@H](CCc1ccccc1)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000433341542 559877467 /nfs/dbraw/zinc/87/74/67/559877467.db2.gz IHMLVTYCMJGWGC-OALUTQOASA-N 1 0 355.482 2.376 20 30 FEEDRO C[C@H]1C[C@@H](NS(=O)(=O)c2ccc(C#N)c(Br)c2)CC[N@@H+]1C ZINC000433869690 559889102 /nfs/dbraw/zinc/88/91/02/559889102.db2.gz NCQMVPNHEUDZBO-JQWIXIFHSA-N 1 0 372.288 2.082 20 30 FEEDRO COC[C@H]([NH2+][C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2)[C@H]1CCCO1 ZINC000434784809 559909213 /nfs/dbraw/zinc/90/92/13/559909213.db2.gz MTHKZDRITUNOJM-TUKIKUTGSA-N 1 0 363.483 2.219 20 30 FEEDRO C[NH+](C)[C@H]1CCOc2c(NC(=O)C(=O)N3CCC(C)(C#N)CC3)cccc21 ZINC000434834226 559910468 /nfs/dbraw/zinc/91/04/68/559910468.db2.gz OREZZEWRIVJZOO-INIZCTEOSA-N 1 0 370.453 2.163 20 30 FEEDRO C=C(C)CS(=O)(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCOCC1 ZINC000435420763 559922337 /nfs/dbraw/zinc/92/23/37/559922337.db2.gz DOGDFUBVWFOWMH-INIZCTEOSA-N 1 0 352.500 2.382 20 30 FEEDRO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1cc(Cl)c(OCC(N)=O)c(OC)c1 ZINC000435752166 559929575 /nfs/dbraw/zinc/92/95/75/559929575.db2.gz WNOMHYVYRZPOKJ-CXAGYDPISA-N 1 0 368.861 2.284 20 30 FEEDRO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1C[C@@H]2CCC[C@@]2(C(=O)OC(C)(C)C)C1 ZINC000439479079 559995150 /nfs/dbraw/zinc/99/51/50/559995150.db2.gz RDZHFAHTLQWOLY-QEEYODRMSA-N 1 0 361.486 2.381 20 30 FEEDRO N#Cc1ccc([C@H]([NH2+]CCc2ccn(-c3ccc(F)cc3)n2)C(N)=O)cc1 ZINC000439632475 559998338 /nfs/dbraw/zinc/99/83/38/559998338.db2.gz IBOJINZBFFCNLW-IBGZPJMESA-N 1 0 363.396 2.242 20 30 FEEDRO N#Cc1c(Cl)cccc1S(=O)(=O)NCCC[NH2+]Cc1cccnc1 ZINC000440337963 560008995 /nfs/dbraw/zinc/00/89/95/560008995.db2.gz FWNZUTHTZCLMRF-UHFFFAOYSA-N 1 0 364.858 2.065 20 30 FEEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](Cn1ccnc1)c1ccc(C)cc1C ZINC000441388536 560030921 /nfs/dbraw/zinc/03/09/21/560030921.db2.gz RZOAWLDGNMUNCZ-WMZOPIPTSA-N 1 0 369.469 2.231 20 30 FEEDRO Cc1ccc(NC(=O)C(=O)N(C[C@@H](C)C#N)C2CC2)c(OCC[NH+](C)C)c1 ZINC000441903718 560040635 /nfs/dbraw/zinc/04/06/35/560040635.db2.gz DLSXQWFVRCCDDO-HNNXBMFYSA-N 1 0 372.469 2.025 20 30 FEEDRO C[NH+]1CCC(C#N)(NC(=O)c2c[nH]c3ncc(Br)cc23)CC1 ZINC000527451932 562288248 /nfs/dbraw/zinc/28/82/48/562288248.db2.gz UPXZPIJQRFDJES-UHFFFAOYSA-N 1 0 362.231 2.043 20 30 FEEDRO C[C@@H]1C[C@@H](NS(=O)(=O)c2cc(Br)cc(C#N)c2)CC[N@@H+]1C ZINC000443468405 560084572 /nfs/dbraw/zinc/08/45/72/560084572.db2.gz OCNIYGBAYGSSFN-MFKMUULPSA-N 1 0 372.288 2.082 20 30 FEEDRO N#Cc1ccc(C2(C(=O)N3CC[C@@H](OCC[NH+]4CCCC4)C3)CC2)cc1 ZINC000444235477 560106334 /nfs/dbraw/zinc/10/63/34/560106334.db2.gz IQLNCLJAWLVIOL-LJQANCHMSA-N 1 0 353.466 2.303 20 30 FEEDRO CCOC(=O)C1CCN(C(=O)C[N@H+](C)CCCCC(C)(C)C#N)CC1 ZINC000444622354 560116859 /nfs/dbraw/zinc/11/68/59/560116859.db2.gz GEXIMVGLSFWPOQ-UHFFFAOYSA-N 1 0 351.491 2.440 20 30 FEEDRO CC(C)[N@H+](C)CCNC(=O)NC1CCC(Oc2ncccc2C#N)CC1 ZINC000446557895 560147423 /nfs/dbraw/zinc/14/74/23/560147423.db2.gz HOOKBRCEGVBLJZ-UHFFFAOYSA-N 1 0 359.474 2.283 20 30 FEEDRO C[NH+](C)[C@@H](CNC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)C1CC1 ZINC000448751071 560197852 /nfs/dbraw/zinc/19/78/52/560197852.db2.gz RNKBEHJTNWWFKG-PBHICJAKSA-N 1 0 374.872 2.021 20 30 FEEDRO Cc1nc2ccnn2cc1C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000448816976 560200874 /nfs/dbraw/zinc/20/08/74/560200874.db2.gz UOPUSVHHLGOJHN-UHFFFAOYSA-N 1 0 362.437 2.113 20 30 FEEDRO CC[N@@H+]1CCCN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1 ZINC000448939224 560207994 /nfs/dbraw/zinc/20/79/94/560207994.db2.gz BHJMCLMUIFQTLW-HNNXBMFYSA-N 1 0 374.872 2.119 20 30 FEEDRO C[NH+](C)C(C)(C)CNC(=O)COc1ccc(C#N)c(Br)c1 ZINC000449119934 560216617 /nfs/dbraw/zinc/21/66/17/560216617.db2.gz BBBHJMMDLKLOOE-UHFFFAOYSA-N 1 0 354.248 2.156 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1cn(-c2cccnc2)nn1)C(C)C ZINC000449800416 560240399 /nfs/dbraw/zinc/24/03/99/560240399.db2.gz CUMWXQIPZKRRKS-GOSISDBHSA-N 1 0 354.458 2.091 20 30 FEEDRO C[C@@H](CC[NH+](C)C)NC(=O)COc1ccc(C#N)c(Br)c1 ZINC000449892654 560244464 /nfs/dbraw/zinc/24/44/64/560244464.db2.gz ZSPDPORDBJEBJS-NSHDSACASA-N 1 0 354.248 2.156 20 30 FEEDRO CN(C(=O)COc1cccc(Br)c1C#N)[C@@H]1CCC[N@H+](C)C1 ZINC000449944814 560246159 /nfs/dbraw/zinc/24/61/59/560246159.db2.gz KVUVZEFDGDFKGR-GFCCVEGCSA-N 1 0 366.259 2.252 20 30 FEEDRO C[C@@H]1C[N@H+](CCCNc2ncc(Br)cc2C#N)CCCO1 ZINC000450488030 560263885 /nfs/dbraw/zinc/26/38/85/560263885.db2.gz ODLIORHXDDUWMJ-GFCCVEGCSA-N 1 0 353.264 2.629 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](C)C(=O)Nc1sc(C)cc1C(=O)OCC ZINC000451603605 560316830 /nfs/dbraw/zinc/31/68/30/560316830.db2.gz DKTNPGRNIGHHLL-YUTCNCBUSA-N 1 0 352.456 2.493 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]CC(=O)Nc1ccccc1I ZINC000451603482 560316857 /nfs/dbraw/zinc/31/68/57/560316857.db2.gz CSRQNRJVTRNURL-OLZOCXBDSA-N 1 0 372.206 2.163 20 30 FEEDRO COc1cc(C#N)ccc1S(=O)(=O)N[C@@H](CC(C)C)C[NH+]1CCCC1 ZINC000451651327 560319519 /nfs/dbraw/zinc/31/95/19/560319519.db2.gz MHNAIPNDLNKNQK-INIZCTEOSA-N 1 0 365.499 2.356 20 30 FEEDRO C[C@@H](CC#N)N(C)S(=O)(=O)NCC1([N@H+](C)Cc2ccccc2)CCC1 ZINC000451798901 560329190 /nfs/dbraw/zinc/32/91/90/560329190.db2.gz VGQUHMDAZOGWAM-INIZCTEOSA-N 1 0 364.515 2.109 20 30 FEEDRO C[C@H](CNC(=O)COc1cccc(Br)c1C#N)C[NH+](C)C ZINC000452007258 560344963 /nfs/dbraw/zinc/34/49/63/560344963.db2.gz PQHXYHNJMGMUDK-LLVKDONJSA-N 1 0 354.248 2.013 20 30 FEEDRO C=CCN1CC[C@H]([NH2+][C@@H]2CN(CC(F)(F)F)C[C@H]2c2ccccc2)C1=O ZINC000452026690 560346333 /nfs/dbraw/zinc/34/63/33/560346333.db2.gz VEOGUBDFACAVTL-YESZJQIVSA-N 1 0 367.415 2.393 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1NC(=O)c1cnn(CC[NH+](C)C)c1-c1ccccc1 ZINC000452951215 560378961 /nfs/dbraw/zinc/37/89/61/560378961.db2.gz LTERLHYBNQZFAO-MSOLQXFVSA-N 1 0 354.454 2.185 20 30 FEEDRO C=CCn1c([C@H]2CCCCO2)nnc1N1CC[N@@H+](CCOCC)[C@H](C)C1 ZINC000453440918 560386680 /nfs/dbraw/zinc/38/66/80/560386680.db2.gz NPFXRTACKFJYGX-IAGOWNOFSA-N 1 0 363.506 2.253 20 30 FEEDRO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1cccc(CC#N)c1)c1ccccc1 ZINC000453586915 560389863 /nfs/dbraw/zinc/38/98/63/560389863.db2.gz YOMFBLDCDFUNKS-GOSISDBHSA-N 1 0 350.422 2.110 20 30 FEEDRO CC[NH+](CC)[C@@H](C)CNC(=O)C(=O)Nc1ccc(CC#N)cc1Cl ZINC000453588994 560390043 /nfs/dbraw/zinc/39/00/43/560390043.db2.gz DUADHFLNMDZAMR-LBPRGKRZSA-N 1 0 350.850 2.191 20 30 FEEDRO Cc1cc(C#N)cc(NC(=O)C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)c1 ZINC000453639337 560392471 /nfs/dbraw/zinc/39/24/71/560392471.db2.gz BXOQGDKBASCVQK-UHFFFAOYSA-N 1 0 368.412 2.322 20 30 FEEDRO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)C(=O)Nc1ccc(C#N)c(C)n1 ZINC000453709098 560398502 /nfs/dbraw/zinc/39/85/02/560398502.db2.gz AIISJJNYYCLOCP-DLBZAZTESA-N 1 0 371.485 2.217 20 30 FEEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000453923796 560413502 /nfs/dbraw/zinc/41/35/02/560413502.db2.gz XFLCHTAEXCFYHN-IJEWVQPXSA-N 1 0 372.494 2.039 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1NC(=O)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000453937351 560414712 /nfs/dbraw/zinc/41/47/12/560414712.db2.gz DWLRIUCXVNLRAD-MOPGFXCFSA-N 1 0 371.481 2.113 20 30 FEEDRO C[N@@H+]1CC[C@@H]2CN(C(=O)NCC#Cc3ccc(C(F)(F)F)cc3)C[C@@H]21 ZINC000454590302 560450580 /nfs/dbraw/zinc/45/05/80/560450580.db2.gz MANYAJGDCWKLBT-ZBFHGGJFSA-N 1 0 351.372 2.402 20 30 FEEDRO CC(C)Oc1ccc(NC(=O)N2C[C@@H](C)N(CCO)[C@@H](C)C2)cc1C#N ZINC000454996828 560466636 /nfs/dbraw/zinc/46/66/36/560466636.db2.gz KJLLOLLKRFVQCV-GASCZTMLSA-N 1 0 360.458 2.264 20 30 FEEDRO C[C@@H](CNC(=O)Nc1ccc(CC#N)cc1Cl)C[NH+]1CCN(C)CC1 ZINC000455698230 560492293 /nfs/dbraw/zinc/49/22/93/560492293.db2.gz FSMBBUNRHHHCDS-AWEZNQCLSA-N 1 0 363.893 2.411 20 30 FEEDRO CN1CC[NH+](CCC(C)(C)NC(=O)Nc2cnc(C#N)c(Cl)c2)CC1 ZINC000455766077 560494298 /nfs/dbraw/zinc/49/42/98/560494298.db2.gz SJATXBAULFNSER-UHFFFAOYSA-N 1 0 364.881 2.144 20 30 FEEDRO CC[C@H](C)[NH+]1CCN(C(=O)[C@@H]2CCCN(c3nc(C)ccc3C#N)C2)CC1 ZINC000456524102 560523258 /nfs/dbraw/zinc/52/32/58/560523258.db2.gz GGCMJCSHIVNSSS-PKOBYXMFSA-N 1 0 369.513 2.421 20 30 FEEDRO C=CCC[C@@H](NC(=O)c1ccc(N2CC[NH+](CC)CC2)cc1)C(=O)OCC ZINC000456620117 560526042 /nfs/dbraw/zinc/52/60/42/560526042.db2.gz CIQVYPGLXPBXHQ-LJQANCHMSA-N 1 0 373.497 2.456 20 30 FEEDRO C[N@H+](CCCCNC(=O)[C@H]1CCC(=O)N1Cc1cccc(C#N)c1)C1CC1 ZINC000457175411 560554379 /nfs/dbraw/zinc/55/43/79/560554379.db2.gz XVIGEMAZGWFYBJ-LJQANCHMSA-N 1 0 368.481 2.040 20 30 FEEDRO C[N@H+](CCCCNC(=O)[C@@H]1CCC(=O)N1Cc1cccc(C#N)c1)C1CC1 ZINC000457175410 560554429 /nfs/dbraw/zinc/55/44/29/560554429.db2.gz XVIGEMAZGWFYBJ-IBGZPJMESA-N 1 0 368.481 2.040 20 30 FEEDRO C[C@@H](Cc1cnn(C)c1)C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000457493139 560570344 /nfs/dbraw/zinc/57/03/44/560570344.db2.gz DXODCNKCGSAQEZ-INIZCTEOSA-N 1 0 353.470 2.061 20 30 FEEDRO Cc1cc(C(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)ncc1C#N ZINC000457692676 560582245 /nfs/dbraw/zinc/58/22/45/560582245.db2.gz GWTBBJYZVODOFQ-LJQANCHMSA-N 1 0 364.449 2.148 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N(C)C1CCN(OC)CC1)C(C)C ZINC000457750966 560585885 /nfs/dbraw/zinc/58/58/85/560585885.db2.gz OOCRVSIJPSFTMC-GOSISDBHSA-N 1 0 352.523 2.352 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1NC(=O)NCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000458660340 560639006 /nfs/dbraw/zinc/63/90/06/560639006.db2.gz SPSUXBCATSFRAP-ZCNNSNEGSA-N 1 0 373.497 2.176 20 30 FEEDRO CCC[C@H]1CN(C(=O)NCc2ccc(C#N)c(F)c2)CC[N@@H+]1CCOC ZINC000459122228 560667883 /nfs/dbraw/zinc/66/78/83/560667883.db2.gz OJHCRNBFCGVZGK-KRWDZBQOSA-N 1 0 362.449 2.340 20 30 FEEDRO CC(C)[C@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)C1(CO)CCCC1 ZINC000459528836 560692308 /nfs/dbraw/zinc/69/23/08/560692308.db2.gz KBFZDDDWTKCJKI-SFHVURJKSA-N 1 0 364.511 2.499 20 30 FEEDRO N#Cc1ccccc1COc1cccc(C[N@H+]2CCC[C@](O)(CO)C2)c1 ZINC000459744614 560705622 /nfs/dbraw/zinc/70/56/22/560705622.db2.gz ZTAYXGUJWCUZOD-OAQYLSRUSA-N 1 0 352.434 2.456 20 30 FEEDRO C=C(C)Cn1c([C@@H](C)OCCOC)nnc1N1CCC[N@@H+](CC)CC1 ZINC000460553992 560746210 /nfs/dbraw/zinc/74/62/10/560746210.db2.gz ILXYNPRHBRVNGM-MRXNPFEDSA-N 1 0 351.495 2.110 20 30 FEEDRO C=C(C)Cn1c([C@H](C)OCCOC)nnc1N1C[C@H](C)[N@H+](CC)C[C@H]1C ZINC000460563386 560746321 /nfs/dbraw/zinc/74/63/21/560746321.db2.gz VHAGOEHYQDQKCW-BBWFWOEESA-N 1 0 365.522 2.497 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N(CCC)CCN1CC[NH+](CC)CC1 ZINC000460754697 560751042 /nfs/dbraw/zinc/75/10/42/560751042.db2.gz CIEXYVCKYLMADK-MOPGFXCFSA-N 1 0 366.550 2.027 20 30 FEEDRO C=C(C)Cn1c([C@H](C)OCCOC)nnc1N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000460768342 560751304 /nfs/dbraw/zinc/75/13/04/560751304.db2.gz KYNSOEZIIMOWRQ-RDJZCZTQSA-N 1 0 363.506 2.251 20 30 FEEDRO C=C(C)Cn1c(CCCC)nnc1N1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000460800318 560752175 /nfs/dbraw/zinc/75/21/75/560752175.db2.gz RTCMHKQAUYLYAD-GOSISDBHSA-N 1 0 360.550 2.413 20 30 FEEDRO N#C[C@@H]1CCC[C@@H]1NC(=O)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000461777660 560782874 /nfs/dbraw/zinc/78/28/74/560782874.db2.gz NJIKDQOHYJQVTG-HKUYNNGSSA-N 1 0 368.481 2.462 20 30 FEEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cnn(-c3ncccc3C#N)c2)C[C@@H]1C ZINC000462087806 560796261 /nfs/dbraw/zinc/79/62/61/560796261.db2.gz FBNSTINESUNMSL-WMLDXEAASA-N 1 0 367.457 2.475 20 30 FEEDRO CCOCC[N@@H+]1CCN(C(=O)NCc2ccc(C#N)c(OC)c2)C[C@@H]1CC ZINC000462468981 560811323 /nfs/dbraw/zinc/81/13/23/560811323.db2.gz AATQJIRRVCPFSA-SFHVURJKSA-N 1 0 374.485 2.209 20 30 FEEDRO N#Cc1ccc(NCC(=O)N2CCC(OCC[NH+]3CCCC3)CC2)cc1 ZINC000465360370 560863987 /nfs/dbraw/zinc/86/39/87/560863987.db2.gz XQSODTBBTNXYIL-UHFFFAOYSA-N 1 0 356.470 2.074 20 30 FEEDRO N#Cc1ccc(OCCNC(=O)NCC[N@@H+]2CCc3ccccc3C2)cc1 ZINC000465525414 560867338 /nfs/dbraw/zinc/86/73/38/560867338.db2.gz NLKXNWXVBPZWHH-UHFFFAOYSA-N 1 0 364.449 2.295 20 30 FEEDRO C[C@H](C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)n1cnc(C#N)n1 ZINC000466984923 560900990 /nfs/dbraw/zinc/90/09/90/560900990.db2.gz GZFCOHGRVCVNMB-OAHLLOKOSA-N 1 0 352.442 2.013 20 30 FEEDRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000468459037 560930456 /nfs/dbraw/zinc/93/04/56/560930456.db2.gz NIOKRZNCWRFYJF-HNNXBMFYSA-N 1 0 362.861 2.387 20 30 FEEDRO CCOC(=O)[C@@](C)(C[NH2+][C@H](C)C(=O)NC1(C#N)CCC1)c1ccccc1 ZINC000469276865 560951535 /nfs/dbraw/zinc/95/15/35/560951535.db2.gz WOGICVRWUGSGCW-BEFAXECRSA-N 1 0 357.454 2.048 20 30 FEEDRO C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000469777400 560964408 /nfs/dbraw/zinc/96/44/08/560964408.db2.gz WYGORWXIRMIRCR-RTBURBONSA-N 1 0 350.503 2.319 20 30 FEEDRO C[NH+]1CCN(c2ccc(NC(=O)[C@H](C#N)Cc3ccc(C#N)cc3)cn2)CC1 ZINC000470729631 560988292 /nfs/dbraw/zinc/98/82/92/560988292.db2.gz JDRXMRLOLXTEAZ-SFHVURJKSA-N 1 0 374.448 2.026 20 30 FEEDRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)C1 ZINC000470971643 560995610 /nfs/dbraw/zinc/99/56/10/560995610.db2.gz XVHMYLVVQCXGMW-WOJBJXKFSA-N 1 0 368.481 2.200 20 30 FEEDRO CC(C)OCC[C@H](O)C[NH+]1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000471546246 561006939 /nfs/dbraw/zinc/00/69/39/561006939.db2.gz IZXGKKKWPJFOHD-SFHVURJKSA-N 1 0 368.481 2.404 20 30 FEEDRO C=C(C)CN(Cc1ccccc1)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000471906548 561014089 /nfs/dbraw/zinc/01/40/89/561014089.db2.gz QNDPVDIODMCTBO-LJQANCHMSA-N 1 0 372.513 2.362 20 30 FEEDRO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@@H+]1C[C@@H](O)COc1ccc(C#N)cc1 ZINC000472313883 561024083 /nfs/dbraw/zinc/02/40/83/561024083.db2.gz GVGOORMKFSVHFG-CEXWTWQISA-N 1 0 359.470 2.019 20 30 FEEDRO C=CC[C@@H](CO)CNC(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000472461526 561027028 /nfs/dbraw/zinc/02/70/28/561027028.db2.gz IFUARXUEMMUTSJ-LRVUVFPRSA-N 1 0 363.424 2.276 20 30 FEEDRO CCC[NH+]1CCC(NC(=O)[C@@H]2CCC(=O)N2Cc2cccc(C#N)c2)CC1 ZINC000473384411 561049141 /nfs/dbraw/zinc/04/91/41/561049141.db2.gz DEKQONUVVWYISD-IBGZPJMESA-N 1 0 368.481 2.040 20 30 FEEDRO CCN(CCC[NH+](CC)CC)S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000473949493 561061643 /nfs/dbraw/zinc/06/16/43/561061643.db2.gz IFCYJUNQUBQTKB-UHFFFAOYSA-N 1 0 368.459 2.209 20 30 FEEDRO COc1cc([C@H](C#N)NC(=O)C[NH+]2CCC(C)CC2)cc(OC)c1OC ZINC000474761667 561082272 /nfs/dbraw/zinc/08/22/72/561082272.db2.gz BEYKGSVXCDKEIX-HNNXBMFYSA-N 1 0 361.442 2.125 20 30 FEEDRO Cn1ncc(C(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)c1C#N ZINC000475523628 561099363 /nfs/dbraw/zinc/09/93/63/561099363.db2.gz RTQXWSSUGYREEK-UHFFFAOYSA-N 1 0 351.454 2.072 20 30 FEEDRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C[C@H](CC#N)c1ccccc1 ZINC000475530827 561099434 /nfs/dbraw/zinc/09/94/34/561099434.db2.gz OTSRPZPVPVBNHD-RBUKOAKNSA-N 1 0 370.497 2.133 20 30 FEEDRO N#Cc1ccc(SCC(=O)N2CC[C@@H](OCC[NH+]3CCCC3)C2)cc1 ZINC000476443318 561119515 /nfs/dbraw/zinc/11/95/15/561119515.db2.gz OPFPRYSVXQZHTH-QGZVFWFLSA-N 1 0 359.495 2.364 20 30 FEEDRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1cnn(C)c1C#N ZINC000476559146 561122548 /nfs/dbraw/zinc/12/25/48/561122548.db2.gz DFVJAIHAARYIHT-UHFFFAOYSA-N 1 0 352.442 2.065 20 30 FEEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@@H](C)C[NH+](CC)CC ZINC000477099236 561136644 /nfs/dbraw/zinc/13/66/44/561136644.db2.gz KXWOILNWPFRATE-INIZCTEOSA-N 1 0 358.486 2.143 20 30 FEEDRO C=C(C)Cn1c(CC2CC2)nnc1N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000528332489 562323016 /nfs/dbraw/zinc/32/30/16/562323016.db2.gz VYXACWUKTRVRLJ-UHFFFAOYSA-N 1 0 359.518 2.498 20 30 FEEDRO Cc1ccccc1N1CC[NH+](C[C@@H](O)COc2ccccc2C#N)CC1 ZINC000528342210 562323627 /nfs/dbraw/zinc/32/36/27/562323627.db2.gz OZWFFOZZIRPYMT-LJQANCHMSA-N 1 0 351.450 2.429 20 30 FEEDRO CC(=O)Nc1cccc2c1CC[N@H+](C[C@H](O)COc1ccccc1C#N)C2 ZINC000528355829 562324666 /nfs/dbraw/zinc/32/46/66/562324666.db2.gz WJLMDIXUNRWDEZ-SFHVURJKSA-N 1 0 365.433 2.315 20 30 FEEDRO N#CC1(C[C@@H](O)C[NH+]2CCN(c3cc(C(F)(F)F)ccn3)CC2)CC1 ZINC000528451030 562330021 /nfs/dbraw/zinc/33/00/21/562330021.db2.gz KTAKHGGVWKSTEJ-CQSZACIVSA-N 1 0 354.376 2.277 20 30 FEEDRO C[N@@H+]1CCN(C[C@@H](O)COc2ccccc2C#N)C[C@H]1Cc1ccccc1 ZINC000528495051 562332313 /nfs/dbraw/zinc/33/23/13/562332313.db2.gz CGDBNWSTSCDEHQ-NHCUHLMSSA-N 1 0 365.477 2.157 20 30 FEEDRO N#Cc1ccccc1OC[C@@H](O)CN1CCC[C@@](C#N)(c2ccccn2)C1 ZINC000528548606 562335457 /nfs/dbraw/zinc/33/54/57/562335457.db2.gz JOCFIUHMMMNCGD-RXVVDRJESA-N 1 0 362.433 2.250 20 30 FEEDRO N#Cc1cccc(-c2nnc(C[N@H+]3CC4(CCOCC4)CC[C@@H]3CO)o2)c1 ZINC000528642849 562339922 /nfs/dbraw/zinc/33/99/22/562339922.db2.gz WXLFJLHYKVDXEF-QGZVFWFLSA-N 1 0 368.437 2.362 20 30 FEEDRO C[C@H]1C[NH+](CCC2CCN(C(=O)Cc3ccc(C#N)nc3)CC2)C[C@H](C)O1 ZINC000528799744 562348521 /nfs/dbraw/zinc/34/85/21/562348521.db2.gz QJLVROWJOINECZ-IRXDYDNUSA-N 1 0 370.497 2.234 20 30 FEEDRO CCC(CC)C(=O)N1CCC([NH2+]C[C@@H](O)COc2ccccc2C#N)CC1 ZINC000530231098 562403022 /nfs/dbraw/zinc/40/30/22/562403022.db2.gz MDGNKSYBVHUDIU-LJQANCHMSA-N 1 0 373.497 2.315 20 30 FEEDRO Cc1ccc(N2CC[C@H]([NH2+]C[C@H](O)COc3ccccc3C#N)C2=O)cc1 ZINC000530229899 562403103 /nfs/dbraw/zinc/40/31/03/562403103.db2.gz BFXDPYZNBOLABH-OALUTQOASA-N 1 0 365.433 2.002 20 30 FEEDRO C=CCN1C(=O)c2ccc(C(=O)N3CC[C@@H]4[C@@H](CCC[N@H+]4C)C3)cc2C1=O ZINC000531982497 562463184 /nfs/dbraw/zinc/46/31/84/562463184.db2.gz VCFAUBLLUKYJFZ-MAUKXSAKSA-N 1 0 367.449 2.025 20 30 FEEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CN2CC[N@@H+](C)C[C@H]2C)c1C#N ZINC000532578992 562482145 /nfs/dbraw/zinc/48/21/45/562482145.db2.gz KJWHMVXZGKXHRZ-CQSZACIVSA-N 1 0 369.469 2.192 20 30 FEEDRO COc1ccc(C#N)cc1C[NH+]1CCC(C(=O)NCC(F)(F)F)CC1 ZINC000532590570 562482485 /nfs/dbraw/zinc/48/24/85/562482485.db2.gz PSCGJVHTOIBYCZ-UHFFFAOYSA-N 1 0 355.360 2.457 20 30 FEEDRO C=C(C)[C@@H](CC(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1)OCC ZINC000533700028 562516478 /nfs/dbraw/zinc/51/64/78/562516478.db2.gz KMNMPKDSKKCJMU-QGZVFWFLSA-N 1 0 367.534 2.101 20 30 FEEDRO CS[C@@H]1CN([C@@H](C)C(=O)N(CCC#N)c2ccccc2)C[C@H]1[NH+](C)C ZINC000534951998 562546029 /nfs/dbraw/zinc/54/60/29/562546029.db2.gz QTVDMQLQPDPMQK-CGTJXYLNSA-N 1 0 360.527 2.299 20 30 FEEDRO CN(CCC#N)C(=O)CC[N@H+](Cc1ccc(C(=O)NC2CC2)cc1)C1CC1 ZINC000535665171 562563701 /nfs/dbraw/zinc/56/37/01/562563701.db2.gz HQBHAMDEWRVREN-UHFFFAOYSA-N 1 0 368.481 2.305 20 30 FEEDRO CC[NH+](CC)[C@@H](CNC(=O)C(=O)N1CCC(C#N)CC1)c1ccsc1 ZINC000556059392 674386524 /nfs/dbraw/zinc/38/65/24/674386524.db2.gz ZGHKJFQRRKFXGW-INIZCTEOSA-N 1 0 362.499 2.009 20 30 FEEDRO CC[NH+](CC)C[C@@H](C)NS(=O)(=O)c1cccc(Br)c1C#N ZINC000568122111 567888726 /nfs/dbraw/zinc/88/87/26/567888726.db2.gz VQRHPQPHTLQHCY-LLVKDONJSA-N 1 0 374.304 2.329 20 30 FEEDRO CC(=O)NCC[C@@H]1CCC[N@@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000568117468 567890670 /nfs/dbraw/zinc/89/06/70/567890670.db2.gz SFNCXCUVJGSSLC-ICSRJNTNSA-N 1 0 368.481 2.292 20 30 FEEDRO C[N@@H+]1CC[C@@H](CC(=O)N2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)C1 ZINC000602144878 567936400 /nfs/dbraw/zinc/93/64/00/567936400.db2.gz QLYTXLSSJSQKKE-YJBOKZPZSA-N 1 0 360.889 2.391 20 30 FEEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H](O)CN1CCc2ccccc2C1 ZINC000602508418 567988971 /nfs/dbraw/zinc/98/89/71/567988971.db2.gz MNIOXDVIRBHQEE-FXAWDEMLSA-N 1 0 357.498 2.094 20 30 FEEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]CCNC(=O)c1c(F)cccc1F ZINC000602544983 567990074 /nfs/dbraw/zinc/99/00/74/567990074.db2.gz GHKFCUGKXPIPFI-ZDUSSCGKSA-N 1 0 351.397 2.383 20 30 FEEDRO C[C@H]1C[NH+](CC2(O)CCC(C(=O)OC(C)(C)C)CC2)C[C@H](C)N1CC#N ZINC000602848994 568000872 /nfs/dbraw/zinc/00/08/72/568000872.db2.gz JBIRZBFGOTWYBE-ZRDSACAASA-N 1 0 365.518 2.168 20 30 FEEDRO C[C@@H]1C[NH+](C[C@H](O)COCc2ccccc2Cl)C[C@@H](C)N1CC#N ZINC000602858179 568002893 /nfs/dbraw/zinc/00/28/93/568002893.db2.gz ZVDSSMHJDPZLQS-INMHGKMJSA-N 1 0 351.878 2.136 20 30 FEEDRO COc1ccccc1CCNC(=O)C[NH2+][C@@H](C)CC1(C#N)CCOCC1 ZINC000602645479 568003819 /nfs/dbraw/zinc/00/38/19/568003819.db2.gz JCKRITZUADIHMS-INIZCTEOSA-N 1 0 359.470 2.042 20 30 FEEDRO CO[C@@H]1CN(CC(=O)N(CCC#N)c2cccc(Cl)c2)[C@](C)(CO)C1 ZINC000602964496 568023926 /nfs/dbraw/zinc/02/39/26/568023926.db2.gz QMBSTAMZWJYNQH-WMZOPIPTSA-N 1 0 365.861 2.058 20 30 FEEDRO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)n1cc(CNCc2ccccc2)nn1 ZINC000603177131 568068171 /nfs/dbraw/zinc/06/81/71/568068171.db2.gz RFWBAGXCACBIBT-BEFAXECRSA-N 1 0 354.458 2.183 20 30 FEEDRO COc1ccc(C[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)cc1Cl ZINC000568741184 568151825 /nfs/dbraw/zinc/15/18/25/568151825.db2.gz OOUMDQJELPGISO-UHFFFAOYSA-N 1 0 365.842 2.179 20 30 FEEDRO CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2cnc3c(C#N)cnn3c2)C1 ZINC000568884337 568247875 /nfs/dbraw/zinc/24/78/75/568247875.db2.gz CITMJMDRVFTJCR-GDBMZVCRSA-N 1 0 354.458 2.118 20 30 FEEDRO N#Cc1ccc(OC[C@H](O)C[NH2+]Cc2ccnc(N3CCCC3)c2)cc1 ZINC000568976445 568259955 /nfs/dbraw/zinc/25/99/55/568259955.db2.gz WCKUDAJIELXFGV-GOSISDBHSA-N 1 0 352.438 2.083 20 30 FEEDRO N#Cc1cccc(CCNC(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)c1 ZINC000569146855 568293445 /nfs/dbraw/zinc/29/34/45/568293445.db2.gz KXOKTZPWORQTAY-UXHICEINSA-N 1 0 370.497 2.168 20 30 FEEDRO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000604541748 568309713 /nfs/dbraw/zinc/30/97/13/568309713.db2.gz IQEARUQTZRPWLH-RBUKOAKNSA-N 1 0 358.461 2.409 20 30 FEEDRO N#Cc1ccc(N2CCC[C@H](NC(=O)N(C3CC3)[C@H]3CC[NH2+]C3)C2)c(F)c1 ZINC000570146769 568454918 /nfs/dbraw/zinc/45/49/18/568454918.db2.gz UHAZTXSTWQGRPL-RDJZCZTQSA-N 1 0 371.460 2.202 20 30 FEEDRO Cc1c2cc(C#N)ccc2sc1C(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000570266315 568458763 /nfs/dbraw/zinc/45/87/63/568458763.db2.gz RUKZEBRYKKWFIV-OAHLLOKOSA-N 1 0 370.478 2.151 20 30 FEEDRO N#Cc1cccc([C@H](C(=O)[O-])[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000833073371 601322265 /nfs/dbraw/zinc/32/22/65/601322265.db2.gz AAUVMBRWESGICN-LJQANCHMSA-N 1 0 357.454 2.261 20 30 FEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1cc(-c2nn[nH]n2)cs1)C(C)C ZINC000819740259 606533088 /nfs/dbraw/zinc/53/30/88/606533088.db2.gz WOBQIPZKQLXAJA-CQSZACIVSA-N 1 0 360.487 2.357 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N(CC)c2ccc(-c3nn[nH]n3)c(Cl)c2)CC1 ZINC000823850549 608344231 /nfs/dbraw/zinc/34/42/31/608344231.db2.gz RECUPWNWRCWUOK-UHFFFAOYSA-N 1 0 372.860 2.218 20 30 FEEDRO C#CC[C@H]([NH2+]CC(=O)Nc1sccc1-c1nn[nH]n1)c1ccccc1 ZINC000823837996 608518942 /nfs/dbraw/zinc/51/89/42/608518942.db2.gz KOYCXUBJPWHDEL-AWEZNQCLSA-N 1 0 352.423 2.221 20 30 FEEDRO C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)Nc1scc(C(C)(C)C)c1C#N ZINC000559795798 674556219 /nfs/dbraw/zinc/55/62/19/674556219.db2.gz HHOWDNGDEDZYGU-LBPRGKRZSA-N 1 0 362.499 2.408 20 30 FEEDRO COc1ccc([C@@H](CCC#N)[NH2+]C[C@H]2CCCCN2S(C)(=O)=O)cc1 ZINC000560585100 674601178 /nfs/dbraw/zinc/60/11/78/674601178.db2.gz QLDMXRSQTPVMDF-SJLPKXTDSA-N 1 0 365.499 2.444 20 30 FEEDRO C[NH+]1CCC2(CCCN(S(=O)(=O)c3ccc(C#N)c(F)c3)C2)CC1 ZINC000813701130 674771624 /nfs/dbraw/zinc/77/16/24/674771624.db2.gz IYBQQAFRFAGIDQ-UHFFFAOYSA-N 1 0 351.447 2.194 20 30 FEEDRO CC[NH+]1CCC(CNS(=O)(=O)c2ccc(CC#N)cc2Cl)CC1 ZINC000562543685 674767521 /nfs/dbraw/zinc/76/75/21/674767521.db2.gz JOAMAUOVBISSRD-UHFFFAOYSA-N 1 0 355.891 2.416 20 30 FEEDRO C[N@H+](CC(=O)N(CCC#N)c1ccc2c(c1)OCCO2)[C@@H]1CCSC1 ZINC000563323803 674872476 /nfs/dbraw/zinc/87/24/76/674872476.db2.gz QFNFUQULUYSEQI-OAHLLOKOSA-N 1 0 361.467 2.142 20 30 FEEDRO C[NH+](C)CCCNC(=S)NN=CC1(CNC(=O)OC(C)(C)C)CCC1 ZINC000814845056 674883603 /nfs/dbraw/zinc/88/36/03/674883603.db2.gz FJTJEFQAOBYGJS-UHFFFAOYSA-N 1 0 371.551 2.083 20 30 FEEDRO C#CCNC(=O)CC[N@H+](CC)CCOc1ccc(Br)cc1 ZINC000815054013 674907827 /nfs/dbraw/zinc/90/78/27/674907827.db2.gz WHUDWJBIKIDQFX-UHFFFAOYSA-N 1 0 353.260 2.289 20 30 FEEDRO C=CCNC(=O)C[N@H+]1CCCC[C@@H]1[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000815203973 674930100 /nfs/dbraw/zinc/93/01/00/674930100.db2.gz PCLXSNXLIIKMNM-JKSUJKDBSA-N 1 0 351.491 2.400 20 30 FEEDRO C#CCNC(=O)CC[NH2+]C1(Cc2ccc(F)cc2Cl)CCOCC1 ZINC000815220092 674931726 /nfs/dbraw/zinc/93/17/26/674931726.db2.gz GFDYSAPJJXFLKA-UHFFFAOYSA-N 1 0 352.837 2.300 20 30 FEEDRO C=CCC(F)(F)C(=O)N1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000815420018 674947221 /nfs/dbraw/zinc/94/72/21/674947221.db2.gz ISMDBFGKZXGLRI-UHFFFAOYSA-N 1 0 351.441 2.474 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)c2cnc(C(F)(F)F)c(C#N)c2)CC1 ZINC000815674478 674964520 /nfs/dbraw/zinc/96/45/20/674964520.db2.gz CZJOOQDROZJMIN-UHFFFAOYSA-N 1 0 350.344 2.190 20 30 FEEDRO Cc1nsc(NC[C@@H]2C[C@H](C)CCN2C(=O)C[NH+]2CCCC2)c1C#N ZINC001048177177 675006429 /nfs/dbraw/zinc/00/64/29/675006429.db2.gz VSMZOJOBSWVXFC-HIFRSBDPSA-N 1 0 361.515 2.458 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCCO ZINC001048570039 675010730 /nfs/dbraw/zinc/01/07/30/675010730.db2.gz DRVBEDWXVCXVTF-PJVZLEMVSA-N 1 0 350.503 2.099 20 30 FEEDRO CC[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)CCN1c1snc(C)c1C#N ZINC001048759326 675014498 /nfs/dbraw/zinc/01/44/98/675014498.db2.gz FUIBXLPNCKZNER-CWRNSKLLSA-N 1 0 361.515 2.139 20 30 FEEDRO C[NH+]=C(NCCS(=O)(=O)c1ccc(Cl)cc1)N1CCC[C@@H](C)C1 ZINC000072891989 670498528 /nfs/dbraw/zinc/49/85/28/670498528.db2.gz PESJQERBZYRPCK-CYBMUJFWSA-N 1 0 357.907 2.421 20 30 FEEDRO C[NH+]=C(NCc1ccc(S(C)(=O)=O)cc1)N(C)Cc1ccc(F)cc1 ZINC000073782106 670507295 /nfs/dbraw/zinc/50/72/95/670507295.db2.gz OPSAPEZBHASTIL-UHFFFAOYSA-N 1 0 363.458 2.437 20 30 FEEDRO CN(C)c1ccc(C(N)=[NH+]OCCCS(=O)(=O)c2ccccc2)cc1 ZINC000079863024 670612264 /nfs/dbraw/zinc/61/22/64/670612264.db2.gz LZEJTKVYBVBLQW-UHFFFAOYSA-N 1 0 361.467 2.254 20 30 FEEDRO Cc1ccc(Cl)cc1N1CC[C@H](C[NH2+]C[C@@H](O)CN(C)CCC#N)C1 ZINC000565475833 675125077 /nfs/dbraw/zinc/12/50/77/675125077.db2.gz GGUWYIZGRUCOLY-SJLPKXTDSA-N 1 0 364.921 2.271 20 30 FEEDRO Cc1ccc(CNC2=[NH+]C[C@@H]3CN(C(=O)OC(C)(C)C)CCN23)s1 ZINC000089120372 670694408 /nfs/dbraw/zinc/69/44/08/670694408.db2.gz YQNLIXBIBXXFEM-CYBMUJFWSA-N 1 0 350.488 2.437 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)N[C@H](C(=O)OC)c2ccc(Cl)c(F)c2)CC1 ZINC000089373080 670700031 /nfs/dbraw/zinc/70/00/31/670700031.db2.gz PZTQKRHTZRTQOT-INIZCTEOSA-N 1 0 366.820 2.155 20 30 FEEDRO COc1ccc([C@H](CCC#N)[NH2+]C2CCN(S(C)(=O)=O)CC2)cc1 ZINC000570734055 670760960 /nfs/dbraw/zinc/76/09/60/670760960.db2.gz UHGSIICGNZDKMV-KRWDZBQOSA-N 1 0 351.472 2.054 20 30 FEEDRO C[C@H]1CCCN(C(=[NH2+])NC[C@@H](O)COc2cccc(C(F)(F)F)c2)C1 ZINC000104179981 670791170 /nfs/dbraw/zinc/79/11/70/670791170.db2.gz KCPFLYFUSSGGED-GXTWGEPZSA-N 1 0 359.392 2.492 20 30 FEEDRO CCS[C@@H]1CCC[C@H]([NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000571515769 670885504 /nfs/dbraw/zinc/88/55/04/670885504.db2.gz ATVIDZOLHYWPDY-LSDHHAIUSA-N 1 0 353.513 2.381 20 30 FEEDRO CO[C@](C)(C[NH2+]CCS(=O)(=O)c1cccc(C#N)c1)c1ccccc1 ZINC000572751689 671040669 /nfs/dbraw/zinc/04/06/69/671040669.db2.gz QLEFNAXGWHIFOQ-LJQANCHMSA-N 1 0 358.463 2.483 20 30 FEEDRO CN(CCC#N)C[C@@H](O)C[NH2+][C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000566124606 675183812 /nfs/dbraw/zinc/18/38/12/675183812.db2.gz KXJSIWIDCWDBPU-HRCADAONSA-N 1 0 352.276 2.101 20 30 FEEDRO C[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)C1 ZINC000575774367 671319783 /nfs/dbraw/zinc/31/97/83/671319783.db2.gz BGTQSSZQXUSWAK-NSHDSACASA-N 1 0 361.389 2.197 20 30 FEEDRO N#Cc1c(Br)cccc1S(=O)(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000566228443 675196207 /nfs/dbraw/zinc/19/62/07/675196207.db2.gz SKKUJKNJTRNGGF-NSHDSACASA-N 1 0 372.288 2.070 20 30 FEEDRO CC[C@H]([NH2+]Cc1ccc(C#N)cc1C(F)(F)F)C(=O)N1CCOCC1 ZINC000576438527 671368550 /nfs/dbraw/zinc/36/85/50/671368550.db2.gz PYUPPJDSLQDZHD-HNNXBMFYSA-N 1 0 355.360 2.304 20 30 FEEDRO C[C@@H](O)C[N@@H+]1CCN(c2cc(Br)c(C#N)cc2F)[C@@H](C)C1 ZINC000576621217 671382230 /nfs/dbraw/zinc/38/22/30/671382230.db2.gz YOHKVFBOQGASKW-WDEREUQCSA-N 1 0 356.239 2.351 20 30 FEEDRO C[C@H](O)C[N@@H+]1CCN(c2cc(Br)c(C#N)cc2F)[C@@H](C)C1 ZINC000576621216 671382294 /nfs/dbraw/zinc/38/22/94/671382294.db2.gz YOHKVFBOQGASKW-QWRGUYRKSA-N 1 0 356.239 2.351 20 30 FEEDRO CCc1nnc(NC(=O)[C@H](C)[C@H](C)[NH2+]Cc2nc(C#N)cs2)s1 ZINC000581636890 671920341 /nfs/dbraw/zinc/92/03/41/671920341.db2.gz VPPBVKIWJRKNQN-BDAKNGLRSA-N 1 0 350.473 2.182 20 30 FEEDRO C=C(Br)CNC(=[NH+]C)N1CCN([C@H](C)C(F)(F)F)CC1 ZINC000124019211 671989158 /nfs/dbraw/zinc/98/91/58/671989158.db2.gz YTHINDCQJFCYOL-SNVBAGLBSA-N 1 0 357.218 2.039 20 30 FEEDRO N#Cc1ccc(Cc2cnc(NC(=O)N3C[C@H]4C[NH2+]C[C@H]4C3)s2)cc1 ZINC000582534005 672010608 /nfs/dbraw/zinc/01/06/08/672010608.db2.gz BYLQRVUWQGNMDJ-GASCZTMLSA-N 1 0 353.451 2.289 20 30 FEEDRO CS(=O)(=O)N1CCC[C@@H]1C[NH+]=C(Nc1ccccc1)N1CCCCC1 ZINC000133916354 672116953 /nfs/dbraw/zinc/11/69/53/672116953.db2.gz JVTVDYJPSMFYAG-QGZVFWFLSA-N 1 0 364.515 2.364 20 30 FEEDRO C[NH+]=C(NCc1nccn1CC(C)C)N1CCN(c2cccs2)CC1 ZINC000158913693 672274709 /nfs/dbraw/zinc/27/47/09/672274709.db2.gz SPDKPQCWWOYPQL-UHFFFAOYSA-N 1 0 360.531 2.498 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000171723040 672334996 /nfs/dbraw/zinc/33/49/96/672334996.db2.gz IFMFTUAGESRFGR-OAHLLOKOSA-N 1 0 351.491 2.400 20 30 FEEDRO C#CCOc1ccc(Br)cc1C[NH2+][C@@H]1CC(=O)N(C2CC2)C1 ZINC000174931097 672364409 /nfs/dbraw/zinc/36/44/09/672364409.db2.gz JEPSJTUKZDLZSM-CQSZACIVSA-N 1 0 363.255 2.314 20 30 FEEDRO C[NH+]=C(NCC1CCOCC1)N1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000179133230 672399094 /nfs/dbraw/zinc/39/90/94/672399094.db2.gz SCWGYBHXTXQOTL-SFHVURJKSA-N 1 0 353.507 2.039 20 30 FEEDRO C=CC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000179210346 672399814 /nfs/dbraw/zinc/39/98/14/672399814.db2.gz ZOKZEPCUAGKFQZ-JKSUJKDBSA-N 1 0 351.491 2.400 20 30 FEEDRO CS[C@@H]1CN(C(=O)[C@H]2CCCN2c2ccc(C#N)cc2)C[C@@H]1[NH+](C)C ZINC000611217543 676026168 /nfs/dbraw/zinc/02/61/68/676026168.db2.gz KWOSBLDVNCKCPC-FGTMMUONSA-N 1 0 358.511 2.031 20 30 FEEDRO COC(=O)c1ccc(C[N@H+](C)CCCc2[nH]nc(N)c2C#N)cc1Cl ZINC000590709577 672604652 /nfs/dbraw/zinc/60/46/52/672604652.db2.gz OTJRGWQKDZJPHJ-UHFFFAOYSA-N 1 0 361.833 2.368 20 30 FEEDRO C[NH+](C)C[C@@H]1CN(S(=O)(=O)CC(C)(C)CC#N)c2ccccc2O1 ZINC000590749694 672609789 /nfs/dbraw/zinc/60/97/89/672609789.db2.gz HRGBZSACXRXTGB-CQSZACIVSA-N 1 0 351.472 2.085 20 30 FEEDRO CC(C)(C)c1csc(NC(=O)C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c1C#N ZINC000591301879 672667130 /nfs/dbraw/zinc/66/71/30/672667130.db2.gz CFZVROUZKRHFNQ-JKOKRWQUSA-N 1 0 360.483 2.051 20 30 FEEDRO CN(CCC#N)C(=O)CC[N@@H+](Cc1ccccc1)C[C@H](O)C(F)(F)F ZINC000611578268 676045414 /nfs/dbraw/zinc/04/54/14/676045414.db2.gz ZXEZVTQOLKCFTF-HNNXBMFYSA-N 1 0 357.376 2.174 20 30 FEEDRO C[C@H](OC[C@H](O)C[NH2+]C1CCN(CC#N)CC1)c1ccc(Cl)cc1 ZINC000591736330 672706590 /nfs/dbraw/zinc/70/65/90/672706590.db2.gz OZBWVZVPBIUDDQ-KBXCAEBGSA-N 1 0 351.878 2.356 20 30 FEEDRO COCC(C)(C)[NH+]1CCN(C(=O)NCc2ccc(C#N)c(Cl)c2)CC1 ZINC000591853183 672716922 /nfs/dbraw/zinc/71/69/22/672716922.db2.gz WSKSBMMQXOJWIM-UHFFFAOYSA-N 1 0 364.877 2.464 20 30 FEEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](C(=O)OC)C1 ZINC000592127451 672761559 /nfs/dbraw/zinc/76/15/59/672761559.db2.gz FOOGFGXUSUFANI-IJEWVQPXSA-N 1 0 350.484 2.392 20 30 FEEDRO N#CCCC[C@@H]([NH3+])C(=O)N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1 ZINC000592145166 672763776 /nfs/dbraw/zinc/76/37/76/672763776.db2.gz PSCGYAROWDPKMH-UKRRQHHQSA-N 1 0 354.376 2.421 20 30 FEEDRO N#CC[C@]1(O)CC[N@H+](CCC(=O)Nc2ccccc2Br)C1 ZINC000592151865 672764854 /nfs/dbraw/zinc/76/48/54/672764854.db2.gz RHVNZNRRUTYUIW-HNNXBMFYSA-N 1 0 352.232 2.128 20 30 FEEDRO CC[N@H+](CCSC)CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 ZINC000592200600 672770432 /nfs/dbraw/zinc/77/04/32/672770432.db2.gz AHKLOXLQBCTJDH-HNNXBMFYSA-N 1 0 366.556 2.142 20 30 FEEDRO CCCCCCCS(=O)(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000195233758 672779798 /nfs/dbraw/zinc/77/97/98/672779798.db2.gz RRRMPUOKCLPCBB-GOSISDBHSA-N 1 0 359.580 2.389 20 30 FEEDRO N#Cc1cc(S(=O)(=O)N2CCC3(CC[NH2+]CC3)CC2)ccc1Cl ZINC000592378132 672794549 /nfs/dbraw/zinc/79/45/49/672794549.db2.gz HKCCPWOBDVWNTQ-UHFFFAOYSA-N 1 0 353.875 2.366 20 30 FEEDRO C=CCN1C(=S)N=NC1c1sc(NC(=O)CCC[NH2+]C)nc1C ZINC000237251027 672808505 /nfs/dbraw/zinc/80/85/05/672808505.db2.gz RPXJEBWJRFHMBT-UHFFFAOYSA-N 1 0 352.489 2.123 20 30 FEEDRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1c(Cl)cc(C#N)cc1Cl ZINC000592870479 672849333 /nfs/dbraw/zinc/84/93/33/672849333.db2.gz FQEHFNHXNSRYBP-JTQLQIEISA-N 1 0 369.252 2.057 20 30 FEEDRO CCN(CC)c1ccc(/C=[NH+]\C[C@@H]2CCC[C@H]2NS(C)(=O)=O)c(O)c1 ZINC000255423569 672890415 /nfs/dbraw/zinc/89/04/15/672890415.db2.gz UQGBGYGRYXVABJ-MIGVZTTLSA-N 1 0 367.515 2.375 20 30 FEEDRO CC[NH+]=C(NC[C@](C)(O)c1ccsc1)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000261678633 672901232 /nfs/dbraw/zinc/90/12/32/672901232.db2.gz QEAARWXNDGHXCD-LHHMISFZSA-N 1 0 363.527 2.468 20 30 FEEDRO C[NH+]=C(NCc1nnc2n1CCCC2)N1CCSC2(CCCCC2)C1 ZINC000261672470 672901404 /nfs/dbraw/zinc/90/14/04/672901404.db2.gz CDRSJKCYBOBMAX-UHFFFAOYSA-N 1 0 362.547 2.442 20 30 FEEDRO C[NH+]=C(NCCS(=O)(=O)C(C)(C)C)N1CC[C@@](C)(c2ccccc2)C1 ZINC000261710298 672902265 /nfs/dbraw/zinc/90/22/65/672902265.db2.gz HCQOENNSPNKZEE-LJQANCHMSA-N 1 0 365.543 2.439 20 30 FEEDRO C[NH+]=C(NC[C@@]1(N(C)C)CCSC1)N1CCC(OC(C)(C)C)CC1 ZINC000261820105 672903708 /nfs/dbraw/zinc/90/37/08/672903708.db2.gz UKSFDZBVXQLHEE-SFHVURJKSA-N 1 0 356.580 2.279 20 30 FEEDRO C[NH+](C)Cc1ccc(S(=O)(=O)N2CCCc3nc(C#N)ccc32)cc1 ZINC000593289722 672904502 /nfs/dbraw/zinc/90/45/02/672904502.db2.gz QHCIWTTZKKAKLY-UHFFFAOYSA-N 1 0 356.451 2.156 20 30 FEEDRO C[NH+]=C(NCCc1nnc2n1CCCCC2)N1CCS[C@H](C(C)C)C1 ZINC000261860363 672904637 /nfs/dbraw/zinc/90/46/37/672904637.db2.gz ZENZRZCEMJLHPV-HNNXBMFYSA-N 1 0 364.563 2.196 20 30 FEEDRO C[NH+]=C(NCC(C)(C)c1ccccc1C)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261962415 672906497 /nfs/dbraw/zinc/90/64/97/672906497.db2.gz KQDRBCGXBHYJSU-UHFFFAOYSA-N 1 0 365.543 2.357 20 30 FEEDRO CC[NH+]=C(NCC1(CO)CCOCC1)N1CCSC2(CCCCC2)C1 ZINC000261994049 672906997 /nfs/dbraw/zinc/90/69/97/672906997.db2.gz SRNBVOLCHPKOAL-UHFFFAOYSA-N 1 0 369.575 2.493 20 30 FEEDRO [NH2+]=C(NCc1csc2ccccc12)N1CCN(c2ncccn2)CC1 ZINC000262003835 672907565 /nfs/dbraw/zinc/90/75/65/672907565.db2.gz QRRBURXALCZCKR-UHFFFAOYSA-N 1 0 352.467 2.328 20 30 FEEDRO CN(C)C(=O)CNC(N[C@@H]1CCO[C@H](C(C)(C)C)C1)=[NH+]C1CCCC1 ZINC000262250083 672911847 /nfs/dbraw/zinc/91/18/47/672911847.db2.gz BTFGUHWVZHWOFW-CVEARBPZSA-N 1 0 352.523 2.146 20 30 FEEDRO [NH2+]=C(NC[C@H]1CCCCS1(=O)=O)Nc1cccc(OC(F)(F)F)c1 ZINC000262412529 672915255 /nfs/dbraw/zinc/91/52/55/672915255.db2.gz XYKKHZDUYSZLQU-GFCCVEGCSA-N 1 0 365.377 2.279 20 30 FEEDRO CC(C)C[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N1CCc2ccccc2C1 ZINC000262450625 672916085 /nfs/dbraw/zinc/91/60/85/672916085.db2.gz VYPCALYVUNLEDZ-INIZCTEOSA-N 1 0 363.527 2.081 20 30 FEEDRO CS(=O)(=O)N[C@H]1CCCC[C@H]1CNC(=[NH2+])Nc1ccc2c(c1)CCC2 ZINC000262655473 672918672 /nfs/dbraw/zinc/91/86/72/672918672.db2.gz LOYAUFJQBGYIJY-RDJZCZTQSA-N 1 0 364.515 2.010 20 30 FEEDRO C[NH+]=C(NCc1cc(Br)c2c(c1)OCCO2)NCC1CC1 ZINC000262807605 672921406 /nfs/dbraw/zinc/92/14/06/672921406.db2.gz OMNUDJHBTPOTFH-UHFFFAOYSA-N 1 0 354.248 2.295 20 30 FEEDRO C[NH+]=C(NCc1scnc1C)N[C@@H]1CCN(c2cccc(OC)c2)C1 ZINC000262839030 672921904 /nfs/dbraw/zinc/92/19/04/672921904.db2.gz WWRHKXCZBLRPBS-CQSZACIVSA-N 1 0 359.499 2.404 20 30 FEEDRO C[NH+]1CCC(CNC(=O)Cc2ccc(Br)cc2C#N)CC1 ZINC000593446703 672924147 /nfs/dbraw/zinc/92/41/47/672924147.db2.gz UMHXETYAYXDYQT-UHFFFAOYSA-N 1 0 350.260 2.321 20 30 FEEDRO C[NH+](C)C1CCN(C(=O)Cc2ccc(Br)cc2C#N)CC1 ZINC000593457061 672926540 /nfs/dbraw/zinc/92/65/40/672926540.db2.gz IOIQJNMAYBOFBX-UHFFFAOYSA-N 1 0 350.260 2.416 20 30 FEEDRO [NH2+]=C(NC[C@@]1(Cc2ccc(F)cc2)CCC[C@@H]1O)N1CCSCC1 ZINC000263255668 672930494 /nfs/dbraw/zinc/93/04/94/672930494.db2.gz KUVSMSGYCUWQMT-WMZOPIPTSA-N 1 0 351.491 2.263 20 30 FEEDRO CN(CCC#N)C(=O)C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000593582216 672950479 /nfs/dbraw/zinc/95/04/79/672950479.db2.gz AXOMLBLYPSEVOF-UHFFFAOYSA-N 1 0 360.483 2.185 20 30 FEEDRO C[C@@H]1CN(C(=O)Cc2ccc(Br)cc2C#N)C[C@H](C)[N@H+]1C ZINC000593731957 672984463 /nfs/dbraw/zinc/98/44/63/672984463.db2.gz ISUPKOODZASMCR-TXEJJXNPSA-N 1 0 350.260 2.414 20 30 FEEDRO C=CCN1CC[C@@H]([N@H+](C)C[C@H](O)COc2ccc(Cl)c(Cl)c2)C1=O ZINC000685004366 672984744 /nfs/dbraw/zinc/98/47/44/672984744.db2.gz WRFSXPCOVHASGN-BLLLJJGKSA-N 1 0 373.280 2.452 20 30 FEEDRO [NH2+]=C(NCCc1cccs1)NCC1(N2CCOCC2)CCCCC1 ZINC000303777537 673017411 /nfs/dbraw/zinc/01/74/11/673017411.db2.gz IXRIUZSSXPQNRC-UHFFFAOYSA-N 1 0 350.532 2.230 20 30 FEEDRO [NH2+]=C(NCCc1cccs1)NCc1ccc(CN2CCOCC2)cc1 ZINC000303788060 673017428 /nfs/dbraw/zinc/01/74/28/673017428.db2.gz TVVDZRICLBLCRU-UHFFFAOYSA-N 1 0 358.511 2.227 20 30 FEEDRO CCc1ccc(NC(=[NH2+])NCCNS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000303791288 673017883 /nfs/dbraw/zinc/01/78/83/673017883.db2.gz XHIMUNCWWIUIEB-UHFFFAOYSA-N 1 0 360.483 2.263 20 30 FEEDRO C[NH+]=C(NCCc1cc(Cl)cc(Cl)c1)NCCN1CCOCC1 ZINC000303876729 673018012 /nfs/dbraw/zinc/01/80/12/673018012.db2.gz IFTVIRPWVVTPIA-UHFFFAOYSA-N 1 0 359.301 2.033 20 30 FEEDRO [NH2+]=C(NC[C@H](c1ccccc1Cl)N1CCOCC1)NCC1CCC1 ZINC000303869798 673018079 /nfs/dbraw/zinc/01/80/79/673018079.db2.gz BBVWODBTQHEDEL-QGZVFWFLSA-N 1 0 350.894 2.418 20 30 FEEDRO CCCC[NH+]=C(NCc1ccc(C)cc1)NCC(C)(C)NS(C)(=O)=O ZINC000303977241 673019554 /nfs/dbraw/zinc/01/95/54/673019554.db2.gz CRHHAYQXCNDPLT-UHFFFAOYSA-N 1 0 368.547 2.158 20 30 FEEDRO COc1ccc(NC(=[NH2+])NCC(=O)NCCc2ccccc2)cc1Cl ZINC000303975747 673019702 /nfs/dbraw/zinc/01/97/02/673019702.db2.gz JKJGDHOCKPVOQP-UHFFFAOYSA-N 1 0 360.845 2.434 20 30 FEEDRO [NH2+]=C(NCCS(=O)(=O)NCC1CCC1)Nc1cccc2c1CCCC2 ZINC000304763394 673020797 /nfs/dbraw/zinc/02/07/97/673020797.db2.gz WTJHFXBUEFLMOZ-UHFFFAOYSA-N 1 0 364.515 2.012 20 30 FEEDRO CO[C@H]1C[C@@H](C(=O)N[C@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)N(C)C1 ZINC000328950185 673069667 /nfs/dbraw/zinc/06/96/67/673069667.db2.gz CFGCQZIOELGWFU-CQDKDKBSSA-N 1 0 369.824 2.260 20 30 FEEDRO CO[C@H]1C[C@@H](C(=O)NC[C@@H](c2ccc(C)s2)N2CCOCC2)N(C)C1 ZINC000329022935 673070936 /nfs/dbraw/zinc/07/09/36/673070936.db2.gz MSXKLENXPRBYOS-JYJNAYRXSA-N 1 0 367.515 2.105 20 30 FEEDRO C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)[C@@H]([NH3+])CCCCC#N ZINC000594430330 673071021 /nfs/dbraw/zinc/07/10/21/673071021.db2.gz ZOFWARFODLAOPU-CJNGLKHVSA-N 1 0 351.472 2.021 20 30 FEEDRO O=C(CCNC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1)N1CCCCCC1 ZINC000329286306 673074942 /nfs/dbraw/zinc/07/49/42/673074942.db2.gz MBISIGLCCDDFOD-QGZVFWFLSA-N 1 0 350.507 2.253 20 30 FEEDRO CC[C@@H]1CN(C(=O)N[C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)CC[N@@H+]1CCOC ZINC000329813445 673084063 /nfs/dbraw/zinc/08/40/63/673084063.db2.gz SVFMCKYHONZYCJ-YYIAUSFCSA-N 1 0 353.507 2.147 20 30 FEEDRO O=C(NCc1nc(C(F)(F)F)n[nH]1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000330099169 673085673 /nfs/dbraw/zinc/08/56/73/673085673.db2.gz CRYYOUMGAJZQBD-NSHDSACASA-N 1 0 360.384 2.188 20 30 FEEDRO O=C(NCc1nc(C(F)(F)F)n[nH]1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000330155799 673086326 /nfs/dbraw/zinc/08/63/26/673086326.db2.gz OFSHAGSTFPGFSU-NSHDSACASA-N 1 0 360.384 2.188 20 30 FEEDRO N#Cc1ccc(-n2ccc(NC(=O)NCC3([NH3+])CCCC3)n2)c(Cl)c1 ZINC000595231432 673211949 /nfs/dbraw/zinc/21/19/49/673211949.db2.gz UOCZLKHNIXQZPH-UHFFFAOYSA-N 1 0 358.833 2.790 20 30 FEEDRO C[NH2+]C[C@H](C)NC(=O)C(=O)Nc1sc2c(c1C#N)CC[C@H](C(C)C)C2 ZINC000595245094 673213195 /nfs/dbraw/zinc/21/31/95/673213195.db2.gz PLTMFLWQTSOLHP-RYUDHWBXSA-N 1 0 362.499 2.043 20 30 FEEDRO Cc1ccc(S(=O)(=O)NCC[N@@H+](C)CCc2ccc(C#N)cc2)cc1 ZINC000595331930 673226282 /nfs/dbraw/zinc/22/62/82/673226282.db2.gz ZBVSUILNQICFPK-UHFFFAOYSA-N 1 0 357.479 2.320 20 30 FEEDRO C=CCCSCCNC(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000595720243 673285357 /nfs/dbraw/zinc/28/53/57/673285357.db2.gz IVWZMXXQYBAVFO-UHFFFAOYSA-N 1 0 355.548 2.440 20 30 FEEDRO CN(CC(F)(F)F)C(=O)C[NH2+]C1(c2cccc(C#N)c2)CCOCC1 ZINC000595765662 673290360 /nfs/dbraw/zinc/29/03/60/673290360.db2.gz SJOFLPUHXQPIAA-UHFFFAOYSA-N 1 0 355.360 2.174 20 30 FEEDRO N#Cc1ccc(Br)c(CN2CCC([N@@H+]3CC[C@H](O)C3)CC2)c1 ZINC000595863027 673331294 /nfs/dbraw/zinc/33/12/94/673331294.db2.gz JLYQVCABMOUMOU-INIZCTEOSA-N 1 0 364.287 2.352 20 30 FEEDRO N#Cc1sccc1N1CCN(C(=O)[C@H]2C[NH2+]Cc3ccccc32)CC1 ZINC000595937180 673342105 /nfs/dbraw/zinc/34/21/05/673342105.db2.gz FBGWWOKYRSEKKB-INIZCTEOSA-N 1 0 352.463 2.155 20 30 FEEDRO C[C@H](c1ccccc1)[C@@H](O)C[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000596067777 673355565 /nfs/dbraw/zinc/35/55/65/673355565.db2.gz AMINNPKVGYPXSM-BEFAXECRSA-N 1 0 358.463 2.086 20 30 FEEDRO CC(C)(C)NC(=O)C[NH+]1CCC(CNc2nc(C#N)c(Cl)s2)CC1 ZINC000596160636 673364022 /nfs/dbraw/zinc/36/40/22/673364022.db2.gz XFAWCCSOAVPQIH-UHFFFAOYSA-N 1 0 369.922 2.707 20 30 FEEDRO C=CCc1ccccc1OC[C@H](O)CN1C[C@@H]([NH+](C)C)[C@@H](SC)C1 ZINC000537288896 673385750 /nfs/dbraw/zinc/38/57/50/673385750.db2.gz DLUHHEXPOFSOBT-LMMKCTJWSA-N 1 0 350.528 2.132 20 30 FEEDRO C=CCOc1ccc(C[NH2+][C@@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)cc1 ZINC000537385872 673387265 /nfs/dbraw/zinc/38/72/65/673387265.db2.gz RIOQSGIOGWGFLE-AEFFLSMTSA-N 1 0 351.468 2.077 20 30 FEEDRO C=CCc1cc(OCC)cc(C[N@@H+]2CCC[C@@H](S(=O)(=O)NC)C2)c1O ZINC000733300184 673407764 /nfs/dbraw/zinc/40/77/64/673407764.db2.gz KHRMALXTISOCCX-QGZVFWFLSA-N 1 0 368.499 2.033 20 30 FEEDRO O=C(NCC[NH2+]Cc1ccc(Br)cc1F)C1N=CC=CC1=O ZINC000733333063 673410420 /nfs/dbraw/zinc/41/04/20/673410420.db2.gz HDZUYVZGCCMBIW-CCEZHUSRSA-N 1 0 368.206 2.204 20 30 FEEDRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)COc1cccc(Br)c1C#N ZINC000597534909 673485192 /nfs/dbraw/zinc/48/51/92/673485192.db2.gz PZIOZEUKLNPAIV-ZIAGYGMSSA-N 1 0 366.259 2.298 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)OCC(=O)N[C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000735939646 673508452 /nfs/dbraw/zinc/50/84/52/673508452.db2.gz IVEAVZPWQWKGFG-AWEZNQCLSA-N 1 0 362.857 2.406 20 30 FEEDRO CC(C)(C#N)C[C@H](O)C[NH+]1CCN([C@H](CO)c2ccc(Cl)cc2)CC1 ZINC000598592808 673587317 /nfs/dbraw/zinc/58/73/17/673587317.db2.gz NHOIWDILLGWUCD-ZWKOTPCHSA-N 1 0 365.905 2.292 20 30 FEEDRO C=CCOc1ccc(C[NH2+]CC2CCN(S(=O)(=O)CC)CC2)cc1 ZINC000542710056 673598895 /nfs/dbraw/zinc/59/88/95/673598895.db2.gz SCAHNLIIHJNWNV-UHFFFAOYSA-N 1 0 352.500 2.403 20 30 FEEDRO Cc1cccc(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)c1C#N ZINC000599099697 673633243 /nfs/dbraw/zinc/63/32/43/673633243.db2.gz CGJRWCGRZXFJFB-YPMHNXCESA-N 1 0 361.389 2.015 20 30 FEEDRO N#CC1(C[C@H](O)C[N@@H+]2CCC[C@@H](OCC(F)(F)F)C2)CCOCC1 ZINC000599297624 673655495 /nfs/dbraw/zinc/65/54/95/673655495.db2.gz NYZQYEJGNVZIBY-UONOGXRCSA-N 1 0 350.381 2.101 20 30 FEEDRO C[N@H+](CC(=O)NCCC#N)CC1(c2ccc(Br)cc2)CC1 ZINC000741249554 673677031 /nfs/dbraw/zinc/67/70/31/673677031.db2.gz BQWWNUWDFQBRGA-UHFFFAOYSA-N 1 0 350.260 2.442 20 30 FEEDRO C[C@H]1CC[C@@H](NC(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)C[NH2+]1 ZINC000599605133 673696603 /nfs/dbraw/zinc/69/66/03/673696603.db2.gz SSFWCKMQXYWDHG-SMDDNHRTSA-N 1 0 358.833 2.659 20 30 FEEDRO CCS(=O)(=O)N1CCC(C[NH2+][C@@H](C)c2ccc(C#N)cc2F)CC1 ZINC000544604489 673720398 /nfs/dbraw/zinc/72/03/98/673720398.db2.gz UUYNGDSLIBCKIF-ZDUSSCGKSA-N 1 0 353.463 2.410 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)c2sc(-c3cnn(C)c3)nc2C)CC1 ZINC000743490322 673761830 /nfs/dbraw/zinc/76/18/30/673761830.db2.gz OVGVSBQKNXTMSH-UHFFFAOYSA-N 1 0 357.483 2.070 20 30 FEEDRO N#C[C@H](c1cccs1)N1CCN(C(=O)C[N@@H+]2CC[C@H]3CCC[C@H]32)CC1 ZINC000614600328 676182984 /nfs/dbraw/zinc/18/29/84/676182984.db2.gz FXZBJXRFDSMFJC-BRWVUGGUSA-N 1 0 358.511 2.331 20 30 FEEDRO N#CC1(C[C@H](O)C[NH2+]CCc2nc(C(F)(F)F)cs2)CCOCC1 ZINC000600725570 673794601 /nfs/dbraw/zinc/79/46/01/673794601.db2.gz CRHNDFFGHLYUPF-NSHDSACASA-N 1 0 363.405 2.365 20 30 FEEDRO CC[NH+](CC)CC(=O)N1CCN(c2ncc(C#N)c3ccsc32)CC1 ZINC000601114281 673826671 /nfs/dbraw/zinc/82/66/71/673826671.db2.gz OXJLZBIIRIMLEA-UHFFFAOYSA-N 1 0 357.483 2.158 20 30 FEEDRO CCC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2c(C)cc(F)cc2C#N)C1 ZINC000601360026 673848107 /nfs/dbraw/zinc/84/81/07/673848107.db2.gz RMWMKLSEBVGYGW-CQSZACIVSA-N 1 0 353.463 2.358 20 30 FEEDRO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)n1cc(C2CC[NH2+]CC2)nn1 ZINC000603188475 673918608 /nfs/dbraw/zinc/91/86/08/673918608.db2.gz LBNBCSHZTJIUBI-NSHDSACASA-N 1 0 358.833 2.470 20 30 FEEDRO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)n1cc([C@H]2CCC[NH2+]C2)nn1 ZINC000603188925 673918618 /nfs/dbraw/zinc/91/86/18/673918618.db2.gz OAKBTHBETPEAQQ-AAEUAGOBSA-N 1 0 358.833 2.470 20 30 FEEDRO N#Cc1ccc(NC2CC[NH+](C3CCCC3)CC2)c(CS(N)(=O)=O)c1 ZINC000603311407 673924466 /nfs/dbraw/zinc/92/44/66/673924466.db2.gz OTOKNFOUSBADKD-UHFFFAOYSA-N 1 0 362.499 2.166 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCOC[C@H]1[C@H](C)NC(=O)OC(C)(C)C ZINC000818346327 675215616 /nfs/dbraw/zinc/21/56/16/675215616.db2.gz CGBFPMPRQFGNDD-VIQHNZTISA-N 1 0 354.491 2.485 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)c1ccc(OCC(F)(F)C(F)F)nc1 ZINC000818599184 675227471 /nfs/dbraw/zinc/22/74/71/675227471.db2.gz CZMDNPAAQVYSKJ-UHFFFAOYSA-N 1 0 361.339 2.046 20 30 FEEDRO N#Cc1ccc(NCC[NH2+]C[C@@H](O)c2ccccc2Br)nc1 ZINC000818952849 675246097 /nfs/dbraw/zinc/24/60/97/675246097.db2.gz ZXJIIGHFQWINGZ-OAHLLOKOSA-N 1 0 361.243 2.451 20 30 FEEDRO CSc1ccc(OC[C@H](O)C[NH2+]CCNc2ncccc2C#N)cc1 ZINC000818974465 675248591 /nfs/dbraw/zinc/24/85/91/675248591.db2.gz AMIMASWIPOHFGW-OAHLLOKOSA-N 1 0 358.467 2.117 20 30 FEEDRO C=C(Br)C[NH2+]C[C@H](O)COc1cccc(C(=O)OCC)c1 ZINC000818979748 675249529 /nfs/dbraw/zinc/24/95/29/675249529.db2.gz VOSOGBUBQJWHCG-ZDUSSCGKSA-N 1 0 358.232 2.101 20 30 FEEDRO C#CCNC(=O)CC[NH2+]C[C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000819195510 675268694 /nfs/dbraw/zinc/26/86/94/675268694.db2.gz DPTOMNJMDXZGFV-RDTXWAMCSA-N 1 0 351.853 2.201 20 30 FEEDRO C[C@@H]1C[C@@H](NC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000819314263 675280276 /nfs/dbraw/zinc/28/02/76/675280276.db2.gz WGNBEOFYNLCFAT-ILXRZTDVSA-N 1 0 352.479 2.172 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)Cc1noc2ccc(Br)cc12 ZINC000819544610 675297613 /nfs/dbraw/zinc/29/76/13/675297613.db2.gz PKQACJDCGDIANP-UHFFFAOYSA-N 1 0 364.243 2.204 20 30 FEEDRO C[C@@H]1CN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)C[C@H](C)[N@H+]1C ZINC000819544309 675297678 /nfs/dbraw/zinc/29/76/78/675297678.db2.gz KXOCYQOKROHENH-QLFBSQMISA-N 1 0 352.479 2.125 20 30 FEEDRO C[C@@H]1CCC[N@@H+]1CCNC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C ZINC000819931962 675325321 /nfs/dbraw/zinc/32/53/21/675325321.db2.gz YHRUQZLDYOWPIY-CABCVRRESA-N 1 0 352.479 2.174 20 30 FEEDRO C[NH+]1CCC(C#N)(NC(=O)c2c(Cl)nc3cc(Cl)ccn32)CC1 ZINC000826698808 675700624 /nfs/dbraw/zinc/70/06/24/675700624.db2.gz FBCPOZJRQRQCDQ-UHFFFAOYSA-N 1 0 352.225 2.359 20 30 FEEDRO N#Cc1ccc2c(c1)C[C@H](NC(=O)C1CC[NH+]([C@@H]3CCSC3)CC1)C2 ZINC000829485327 675880744 /nfs/dbraw/zinc/88/07/44/675880744.db2.gz BDONILAGZKPZEZ-RTBURBONSA-N 1 0 355.507 2.359 20 30 FEEDRO C[C@@H](C#N)CN(C)S(=O)(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000619714100 676391978 /nfs/dbraw/zinc/39/19/78/676391978.db2.gz VSEBNJSEBTUIET-WMZOPIPTSA-N 1 0 364.515 2.139 20 30 FEEDRO N#Cc1ccc(CNC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)cc1Cl ZINC000619828205 676396646 /nfs/dbraw/zinc/39/66/46/676396646.db2.gz ONQDVEKTZOIYDU-OAHLLOKOSA-N 1 0 362.861 2.075 20 30 FEEDRO C=CCC1(C(=O)N2CCC(CC)([NH+]3CCOCC3)CC2)CCOCC1 ZINC000629413721 676853960 /nfs/dbraw/zinc/85/39/60/676853960.db2.gz BJAVOJSUJNPAQO-UHFFFAOYSA-N 1 0 350.503 2.463 20 30 FEEDRO C=CCNS(=O)(=O)c1ccccc1N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000641460832 677206801 /nfs/dbraw/zinc/20/68/01/677206801.db2.gz DIFVOJWQKQPRCY-QGZVFWFLSA-N 1 0 363.527 2.319 20 30 FEEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000642980877 677222651 /nfs/dbraw/zinc/22/26/51/677222651.db2.gz NVGAGFOWRIISLS-GFCCVEGCSA-N 1 0 355.891 2.174 20 30 FEEDRO CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](CCOCC(F)(F)C(F)(F)F)C1 ZINC000646113017 677279465 /nfs/dbraw/zinc/27/94/65/677279465.db2.gz XCVOPSVTDJGNFK-SECBINFHSA-N 1 0 372.256 2.201 20 30 FEEDRO C#CC[N@H+](C)CCCNC(=O)N1CCc2ccc(Br)cc21 ZINC000838622463 680706536 /nfs/dbraw/zinc/70/65/36/680706536.db2.gz HAXZYKSRAIXRPW-UHFFFAOYSA-N 1 0 350.260 2.476 20 30 FEEDRO C[NH+](C)CCOc1cc(CNC(=S)Nc2ccccc2C#N)ccn1 ZINC000762460793 680750362 /nfs/dbraw/zinc/75/03/62/680750362.db2.gz JHCBVBWPYDVDKR-UHFFFAOYSA-N 1 0 355.467 2.380 20 30 FEEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(CC)CC(=O)NCc1cccs1 ZINC000662081585 678575070 /nfs/dbraw/zinc/57/50/70/678575070.db2.gz VLTMDHAAGXWPTC-IYBDPMFKSA-N 1 0 361.511 2.396 20 30 FEEDRO C=CC[C@]1(C(=O)Nc2ccc(F)c(N3CCCS3(=O)=O)c2)CCC[NH2+]1 ZINC000662573825 678639877 /nfs/dbraw/zinc/63/98/77/678639877.db2.gz DQRLWYZTJAGKCK-QGZVFWFLSA-N 1 0 367.446 2.002 20 30 FEEDRO C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CCS[C@@H](C)[C@@H]1C ZINC000669033437 679216113 /nfs/dbraw/zinc/21/61/13/679216113.db2.gz PFODKHGYHDRCMY-JONQDZQNSA-N 1 0 363.531 2.330 20 30 FEEDRO C#CCC[NH+]1CCC(NS(=O)(=O)c2cc(C)cc(C)c2OC)CC1 ZINC000840951732 680856287 /nfs/dbraw/zinc/85/62/87/680856287.db2.gz IVLZEYRKENYSIP-UHFFFAOYSA-N 1 0 350.484 2.078 20 30 FEEDRO C[C@H](C[NH+]1CCOCC1)C(=O)N[C@H](c1cccc(C#N)c1)C(F)(F)F ZINC000831105346 679924305 /nfs/dbraw/zinc/92/43/05/679924305.db2.gz DPIZATRCZMEJLG-IUODEOHRSA-N 1 0 355.360 2.246 20 30 FEEDRO C=C(Cl)C(C)(C)C(=O)N1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@H+]3C)[C@@H]2C1 ZINC000974444995 679943596 /nfs/dbraw/zinc/94/35/96/679943596.db2.gz OSCFUJFLGQWAEM-BZUAXINKSA-N 1 0 367.921 2.309 20 30 FEEDRO CCCCCCNC(=O)[C@H]1CCC[N@@H+]([C@@H](C)C(=O)N(C)CCC#N)C1 ZINC000748318225 679951943 /nfs/dbraw/zinc/95/19/43/679951943.db2.gz NYYJISWWJJAECW-IRXDYDNUSA-N 1 0 350.507 2.155 20 30 FEEDRO CCN(CC)c1ccc(/C=[NH+]\CC2CCN(S(C)(=O)=O)CC2)c(O)c1 ZINC000748584883 679977520 /nfs/dbraw/zinc/97/75/20/679977520.db2.gz VQDPAGSTJYCKAQ-RGEXLXHISA-N 1 0 367.515 2.329 20 30 FEEDRO C=C(Br)CN1CC[C@]2(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCC[C@@H]12 ZINC000990759562 680072261 /nfs/dbraw/zinc/07/22/61/680072261.db2.gz CZPZSRWGSGIYKN-KCYZZUKISA-N 1 0 370.335 2.348 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)NC[C@@H](C)CNC(=O)OC(C)(C)C)CC1 ZINC000749839883 680079584 /nfs/dbraw/zinc/07/95/84/680079584.db2.gz FZBGGPGLUFRADU-CQSZACIVSA-N 1 0 354.495 2.097 20 30 FEEDRO CC[NH+](CC)CC1CCN(S(=O)(=O)c2cccc(F)c2C#N)CC1 ZINC000751450206 680177397 /nfs/dbraw/zinc/17/73/97/680177397.db2.gz JOWGNVLTMZWBHR-UHFFFAOYSA-N 1 0 353.463 2.440 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[N@@H+](C[C@H]2CC(C)(C)CO2)CC1 ZINC000981190080 680219789 /nfs/dbraw/zinc/21/97/89/680219789.db2.gz ORLDBCMWRJYNPG-KURKYZTESA-N 1 0 350.503 2.317 20 30 FEEDRO Cc1cc(C(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)nn1-c1ccc(Cl)c(Cl)c1 ZINC000834484478 680233420 /nfs/dbraw/zinc/23/34/20/680233420.db2.gz JLDDXCRSNGORPO-BONVTDFDSA-N 1 0 364.236 2.329 20 30 FEEDRO C#CC(=O)NC1CC[NH+](CCOc2ccc(Br)cc2)CC1 ZINC000754041151 680332975 /nfs/dbraw/zinc/33/29/75/680332975.db2.gz NWXRZTYQDUZVOT-UHFFFAOYSA-N 1 0 351.244 2.042 20 30 FEEDRO C=C(Cl)C[NH2+]C1CCN(C(=O)[C@@H]2CCCO[C@H]2c2nccn2C)CC1 ZINC000996681478 680338458 /nfs/dbraw/zinc/33/84/58/680338458.db2.gz OINKZDCAXCOFJC-HZPDHXFCSA-N 1 0 366.893 2.221 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([NH2+]Cc2nnc(C3CC3)s2)CC1 ZINC000997011136 680345444 /nfs/dbraw/zinc/34/54/44/680345444.db2.gz JGRQBQITBNKPBD-CABCVRRESA-N 1 0 362.499 2.087 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+]1CC1CCOCC1 ZINC001028192728 680372032 /nfs/dbraw/zinc/37/20/32/680372032.db2.gz KMEYUXRIDLCPLI-QYZOEREBSA-N 1 0 350.503 2.365 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC(C[NH2+]Cc2csnn2)CC1 ZINC000998138800 680377160 /nfs/dbraw/zinc/37/71/60/680377160.db2.gz LFGCCHFTDYVCKJ-IRXDYDNUSA-N 1 0 364.515 2.238 20 30 FEEDRO C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3Cc2ccc(C#N)s2)CC[N@@H+]1C ZINC001029313627 680388112 /nfs/dbraw/zinc/38/81/12/680388112.db2.gz IGSKRMOUKQBTRP-ZXFNITATSA-N 1 0 358.511 2.135 20 30 FEEDRO C[C@@H](CNc1cccc(S(N)(=O)=O)c1C#N)[N@H+](C)Cc1ccccc1 ZINC000755006781 680393935 /nfs/dbraw/zinc/39/39/35/680393935.db2.gz XMKDDSLWEWOBHU-AWEZNQCLSA-N 1 0 358.467 2.138 20 30 FEEDRO C[C@H](C[N@H+](C)Cc1ccccc1)Nc1cccc(S(N)(=O)=O)c1C#N ZINC000755021214 680394735 /nfs/dbraw/zinc/39/47/35/680394735.db2.gz YFKCDIKGYOCAQS-CQSZACIVSA-N 1 0 358.467 2.138 20 30 FEEDRO C#CCOc1ccccc1C[NH2+]C1CCN(S(=O)(=O)C(C)(C)C)CC1 ZINC000755220769 680405801 /nfs/dbraw/zinc/40/58/01/680405801.db2.gz QPCMDRFEVRFLTR-UHFFFAOYSA-N 1 0 364.511 2.381 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](CCCC2CCOCC2)C1 ZINC001033431704 680423102 /nfs/dbraw/zinc/42/31/02/680423102.db2.gz HPWVQRNOIOBYJA-QRVBRYPASA-N 1 0 350.503 2.317 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1c(C)nn(C)c1Cl ZINC001035054015 680442648 /nfs/dbraw/zinc/44/26/48/680442648.db2.gz XJVJVJFTGAUHTJ-FMKPAKJESA-N 1 0 366.893 2.054 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1csnc1OC ZINC001035076378 680443456 /nfs/dbraw/zinc/44/34/56/680443456.db2.gz BMZSPVGRRIBXCH-PMPSAXMXSA-N 1 0 365.499 2.214 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC2(CC[N@@H+](C[C@@H](C)OC)C2)CC1 ZINC001035237712 680444502 /nfs/dbraw/zinc/44/45/02/680444502.db2.gz RREQZXYLMHVOMU-SQNIBIBYSA-N 1 0 350.503 2.317 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CC2CCCCCC2)CCO1 ZINC001035514315 680449328 /nfs/dbraw/zinc/44/93/28/680449328.db2.gz CJHIRQFLPKSAES-QRVBRYPASA-N 1 0 350.503 2.365 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([C@@H]2CC[N@@H+](CCOC)C2)CC1 ZINC001039131848 680462193 /nfs/dbraw/zinc/46/21/93/680462193.db2.gz XLMDDMWPOOXBBY-QRVBRYPASA-N 1 0 350.503 2.175 20 30 FEEDRO C=C(Cl)C[N@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)C3)CC2)C1 ZINC001039159039 680462225 /nfs/dbraw/zinc/46/22/25/680462225.db2.gz BHYYMKQBGFNHOI-IXDOHACOSA-N 1 0 367.921 2.201 20 30 FEEDRO C#CC[N@H+]1CCC[C@H]1COC(=O)c1ccc(Cl)c(N2CCNC2=O)c1 ZINC000756541595 680484017 /nfs/dbraw/zinc/48/40/17/680484017.db2.gz JKOHVGQZGYWSEL-AWEZNQCLSA-N 1 0 361.829 2.124 20 30 FEEDRO C=C(Cl)C(C)(C)C(=O)N1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]2C1 ZINC000986131999 680496123 /nfs/dbraw/zinc/49/61/23/680496123.db2.gz WGFYZPQDRMKBGJ-CVEARBPZSA-N 1 0 367.921 2.168 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CCC2CCOCC2)C1 ZINC001007356541 680636500 /nfs/dbraw/zinc/63/65/00/680636500.db2.gz HPQKWDSXZDDTQD-QRVBRYPASA-N 1 0 350.503 2.365 20 30 FEEDRO C[N@H+](Cc1cc(Cl)ccc1OCC#N)C1CCN(S(C)(=O)=O)CC1 ZINC000759429515 680648747 /nfs/dbraw/zinc/64/87/47/680648747.db2.gz FSRSOGKAWMQMCC-UHFFFAOYSA-N 1 0 371.890 2.098 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@H]1C[N@H+](Cc2csc(C)c2)C[C@@H]1O ZINC001047385193 680661669 /nfs/dbraw/zinc/66/16/69/680661669.db2.gz CPKBUHPYDIZTFM-OWSLCNJRSA-N 1 0 364.511 2.041 20 30 FEEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)Nc1nc(SCc2ccccc2)ns1 ZINC000841145908 680865856 /nfs/dbraw/zinc/86/58/56/680865856.db2.gz NBLIRBHJTAIIQI-NWDGAFQWSA-N 1 0 360.468 2.063 20 30 FEEDRO CCOC(=O)c1c(NC(=O)N[C@H]2C[NH2+]C[C@H]2C#N)sc2c1CCCC2 ZINC000841157761 680866474 /nfs/dbraw/zinc/86/64/74/680866474.db2.gz XPIVUZHKYGMBHS-PWSUYJOCSA-N 1 0 362.455 2.037 20 30 FEEDRO C[NH2+]CCCc1[nH]nc(NC(=O)C(F)(F)c2ccccc2F)c1C#N ZINC000766092839 680866588 /nfs/dbraw/zinc/86/65/88/680866588.db2.gz IKEBOTFMBGTSEM-UHFFFAOYSA-N 1 0 351.332 2.303 20 30 FEEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)Nc1cccc2cc(Br)cnc21 ZINC000841237022 680870608 /nfs/dbraw/zinc/87/06/08/680870608.db2.gz GCNFUNNNGVYERF-GXFFZTMASA-N 1 0 360.215 2.230 20 30 FEEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)Nc1cccc2cc(Br)cnc21 ZINC000841237029 680870615 /nfs/dbraw/zinc/87/06/15/680870615.db2.gz GCNFUNNNGVYERF-ZWNOBZJWSA-N 1 0 360.215 2.230 20 30 FEEDRO CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@@H](CC[NH3+])C(F)(F)F)c1 ZINC000841334396 680873609 /nfs/dbraw/zinc/87/36/09/680873609.db2.gz CIWDXFQCGBTMBF-OCCSQVGLSA-N 1 0 358.364 2.446 20 30 FEEDRO C#CC[N@H+](C)CCCNS(=O)(=O)c1ccc2sc(Cl)nc2c1 ZINC000841525644 680891840 /nfs/dbraw/zinc/89/18/40/680891840.db2.gz OEJSHEHBTANBMW-UHFFFAOYSA-N 1 0 357.888 2.183 20 30 FEEDRO CCOC(=O)c1csc(CON=C(N)c2ccc(C[NH+](C)C)cc2)n1 ZINC000842035896 680922738 /nfs/dbraw/zinc/92/27/38/680922738.db2.gz GJFPIRVLJYJYJC-UHFFFAOYSA-N 1 0 362.455 2.219 20 30 FEEDRO C#CCOc1ccccc1C[NH2+]C[C@@H]1CS(=O)(=O)c2ccccc2O1 ZINC000842721413 680962063 /nfs/dbraw/zinc/96/20/63/680962063.db2.gz GSGDDSFXWYTFIR-MRXNPFEDSA-N 1 0 357.431 2.023 20 30 FEEDRO C[C@@H](C[C@H](O)c1cccs1)[NH2+]CCS(=O)(=O)c1cccc(C#N)c1 ZINC000843103447 680987932 /nfs/dbraw/zinc/98/79/32/680987932.db2.gz BGXAZRACMRXAMD-BBRMVZONSA-N 1 0 364.492 2.495 20 30 FEEDRO CN(CCC#N)C(=O)CC[N@@H+]1CCC[C@H]1CN(C)C(=O)OC(C)(C)C ZINC000771446494 681056083 /nfs/dbraw/zinc/05/60/83/681056083.db2.gz MUPVRHRQGFUHNT-HNNXBMFYSA-N 1 0 352.479 2.080 20 30 FEEDRO C#CCN1C(=O)/C(=C\c2ccc(N3CC[NH+](C)CC3)cc2)SC1=S ZINC000771515268 681058052 /nfs/dbraw/zinc/05/80/52/681058052.db2.gz ZQEIMIKOKZPCBC-DTQAZKPQSA-N 1 0 357.504 2.273 20 30 FEEDRO C[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)CCN1c1ncc(C#N)cc1Cl ZINC001051230720 681065959 /nfs/dbraw/zinc/06/59/59/681065959.db2.gz PTPGPBLFUQUEHT-UHOFOFEASA-N 1 0 361.877 2.174 20 30 FEEDRO C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1CNc1snc(Cl)c1C#N ZINC001053667197 681103283 /nfs/dbraw/zinc/10/32/83/681103283.db2.gz YCGPSKARIOGMMT-NQBHXWOUSA-N 1 0 367.906 2.269 20 30 FEEDRO Cc1nsc(NC[C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)C[C@H]2C)c1C#N ZINC001054673758 681114503 /nfs/dbraw/zinc/11/45/03/681114503.db2.gz AEMNERBPBMLLLV-TZMCWYRMSA-N 1 0 361.515 2.314 20 30 FEEDRO Cc1nsc(N2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)C3)c1C#N ZINC001055246394 681127568 /nfs/dbraw/zinc/12/75/68/681127568.db2.gz SHZGJUQHLJHXRU-SYAUCNOPSA-N 1 0 359.499 2.033 20 30 FEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(Cl)cc2OC)CC1 ZINC000773293815 681134539 /nfs/dbraw/zinc/13/45/39/681134539.db2.gz WXYFOSHEHSGZSO-UHFFFAOYSA-N 1 0 365.861 2.444 20 30 FEEDRO Cc1nsc(NCC2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)c1C#N ZINC001057551931 681161519 /nfs/dbraw/zinc/16/15/19/681161519.db2.gz YVBLIAUNZSPBEA-UKRRQHHQSA-N 1 0 361.515 2.314 20 30 FEEDRO C[C@@H]1[C@H](C(=O)N2CCC[C@@H](Nc3nc(C#N)c(Cl)s3)C2)CC[N@@H+]1C ZINC001057771161 681164156 /nfs/dbraw/zinc/16/41/56/681164156.db2.gz VVSIOFCDSJKQPW-IJLUTSLNSA-N 1 0 367.906 2.411 20 30 FEEDRO C[C@@H]1[C@H](C(=O)N2CCC[C@@H](Nc3ncc(C#N)cc3Cl)C2)CC[N@@H+]1C ZINC001057770538 681164220 /nfs/dbraw/zinc/16/42/20/681164220.db2.gz DIBLSJPWTANQSB-BPLDGKMQSA-N 1 0 361.877 2.350 20 30 FEEDRO C[C@@H]1[C@H](C(=O)N[C@H]2CCCN(c3ncc(C#N)cc3Cl)C2)CC[N@@H+]1C ZINC001058258081 681169699 /nfs/dbraw/zinc/16/96/99/681169699.db2.gz MEYUIBHXNGQBFB-VHDGCEQUSA-N 1 0 361.877 2.032 20 30 FEEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@H]2C[N@H+](CCOC)C[C@H]2CC1 ZINC000946813368 681261855 /nfs/dbraw/zinc/26/18/55/681261855.db2.gz QBHYPCBJSTYVKB-RDGPPVDQSA-N 1 0 350.503 2.175 20 30 FEEDRO CN(CC[NH+](C)C)C(=O)Nc1ccc(C#N)cc1I ZINC000932555165 681265128 /nfs/dbraw/zinc/26/51/28/681265128.db2.gz YNEZHVNSUMAPEY-UHFFFAOYSA-N 1 0 372.210 2.188 20 30 FEEDRO COC(=O)/C=C1/SCC(=O)N1CCC[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000775155506 681278676 /nfs/dbraw/zinc/27/86/76/681278676.db2.gz LLEDMRKVPJSLOP-VZWMTCDZSA-N 1 0 359.451 2.189 20 30 FEEDRO COC[C@@H](O)C[NH+]1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932945686 681332955 /nfs/dbraw/zinc/33/29/55/681332955.db2.gz DVXWJWJSRBZIKB-XLPZGREQSA-N 1 0 357.241 2.097 20 30 FEEDRO C#C[C@@H]([NH2+]CCc1nc2sc3c(c2c(N)n1)CCCC3)[C@H]1CCCO1 ZINC000775795955 681335567 /nfs/dbraw/zinc/33/55/67/681335567.db2.gz QMDLIZWEPYKPFU-ZIAGYGMSSA-N 1 0 356.495 2.465 20 30 FEEDRO C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C ZINC000847491023 681385802 /nfs/dbraw/zinc/38/58/02/681385802.db2.gz FXNJKEWZELIUOP-HUUCEWRRSA-N 1 0 352.479 2.174 20 30 FEEDRO C[C@](CO)(Cc1ccc(Cl)cc1)[NH2+]C[C@@H](O)CC1(C#N)CCOCC1 ZINC000933444995 681413764 /nfs/dbraw/zinc/41/37/64/681413764.db2.gz PHRCYIMJQQQJRW-ZWKOTPCHSA-N 1 0 366.889 2.294 20 30 FEEDRO C[C@@H]1[C@@H](C)[N@H+](CCC(=O)N(C)CCC#N)CCN1C(=O)OC(C)(C)C ZINC000776607972 681415346 /nfs/dbraw/zinc/41/53/46/681415346.db2.gz YFOANOQIDOVPDJ-HUUCEWRRSA-N 1 0 352.479 2.078 20 30 FEEDRO CCOC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]CC(=O)Nc2sccc2C#N)C1 ZINC000776824227 681438609 /nfs/dbraw/zinc/43/86/09/681438609.db2.gz UDBASAIBRWKFPS-TZMCWYRMSA-N 1 0 364.471 2.405 20 30 FEEDRO C=CCN(CC=C)C(=O)[C@@H](C)[NH2+][C@H](C)C1CCN(C(=O)OCC)CC1 ZINC000777639197 681516182 /nfs/dbraw/zinc/51/61/82/681516182.db2.gz CCFYJXYEVUKUTP-HZPDHXFCSA-N 1 0 351.491 2.422 20 30 FEEDRO N#CCCCC[C@@H]([NH3+])C(=O)Nc1ccc(CN2C(=O)CSC2=O)cc1 ZINC000848397911 681535233 /nfs/dbraw/zinc/53/52/33/681535233.db2.gz OTEZQUBWKUXCFD-CQSZACIVSA-N 1 0 360.439 2.232 20 30 FEEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)C1(c2cccc(OC(F)(F)F)c2)CCC1 ZINC000848418769 681537025 /nfs/dbraw/zinc/53/70/25/681537025.db2.gz MYJBXLJQZSKNSH-SMDDNHRTSA-N 1 0 353.344 2.235 20 30 FEEDRO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CCCC[C@@H]([C@@H]3CCOC3)C2)c1 ZINC000934833463 681645524 /nfs/dbraw/zinc/64/55/24/681645524.db2.gz KCMXBIZABFNVPK-QZTJIDSGSA-N 1 0 362.495 2.471 20 30 FEEDRO C=C(Cl)C(C)(C)C(=O)N1CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC000950779791 681707575 /nfs/dbraw/zinc/70/75/75/681707575.db2.gz BMPLTZVENRJRLA-JHJVBQTASA-N 1 0 350.850 2.009 20 30 FEEDRO CC#CCS(=O)(=O)c1cccc(C(=O)N(C)CC2([NH+](C)C)CCC2)c1 ZINC000935553516 681773700 /nfs/dbraw/zinc/77/37/00/681773700.db2.gz LTXLCXANLZNMGQ-UHFFFAOYSA-N 1 0 362.495 2.040 20 30 FEEDRO C[NH+](C)CC#CCNC(=O)Cn1c2ccccc2nc1SC(F)F ZINC000913515885 685479280 /nfs/dbraw/zinc/47/92/80/685479280.db2.gz RHNOPBWEROTHOR-UHFFFAOYSA-N 1 0 352.410 2.032 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)NCc2ccccc2OC(F)(F)F)CC1 ZINC000913967713 685490611 /nfs/dbraw/zinc/49/06/11/685490611.db2.gz XMMPLUICPPSUFS-UHFFFAOYSA-N 1 0 355.360 2.482 20 30 FEEDRO C=C(C)CC[NH+]1CCC2(CCN(C(=O)[C@H]3OCCO[C@H]3C)CC2)CC1 ZINC000957560975 681907833 /nfs/dbraw/zinc/90/78/33/681907833.db2.gz BYBBKYOUFHKICZ-ROUUACIJSA-N 1 0 350.503 2.461 20 30 FEEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC2(CC1)CC[NH+](C[C@H](C)O)CC2 ZINC000957618841 681910537 /nfs/dbraw/zinc/91/05/37/681910537.db2.gz JSLYSNHDCYQVHM-BZSNNMDCSA-N 1 0 350.503 2.053 20 30 FEEDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NS(=O)(=O)Cc1csc(C#N)c1 ZINC000914235558 685500178 /nfs/dbraw/zinc/50/01/78/685500178.db2.gz YKOUFLPGMWTJHV-MGPQQGTHSA-N 1 0 355.529 2.406 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)OCc2c(Cl)n(C)nc2C(F)(F)F)CC1 ZINC000782536680 682055798 /nfs/dbraw/zinc/05/57/98/682055798.db2.gz KOZHIKXFTYGKHR-UHFFFAOYSA-N 1 0 363.767 2.481 20 30 FEEDRO C=CCn1c2nnc(SCC[NH+]3CCCC3)n2c2ccccc2c1=O ZINC000782589591 682061219 /nfs/dbraw/zinc/06/12/19/682061219.db2.gz RIDFUKFOOOMHAU-UHFFFAOYSA-N 1 0 355.467 2.418 20 30 FEEDRO C=C(Cl)C(C)(C)C(=O)N1C[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@H]2C1 ZINC000961629674 682097546 /nfs/dbraw/zinc/09/75/46/682097546.db2.gz DTUGMEPXCFXJRL-DMRZNYOFSA-N 1 0 367.921 2.022 20 30 FEEDRO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC2CCOCC2)CC1(C)C ZINC000941047114 682098238 /nfs/dbraw/zinc/09/82/38/682098238.db2.gz WGSNSUJGSJYVBY-SQNIBIBYSA-N 1 0 350.503 2.221 20 30 FEEDRO Cc1cc(Br)cc2c1NC(=O)C2=NNCC[NH+]1CCCCC1 ZINC000915974895 685520043 /nfs/dbraw/zinc/52/00/43/685520043.db2.gz XXNDPXHFZJQAOE-UHFFFAOYSA-N 1 0 365.275 2.489 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)N1CC[C@@H](c2nc(C)c(C(=O)OCC)s2)C1 ZINC000916292430 685523298 /nfs/dbraw/zinc/52/32/98/685523298.db2.gz QCNZTFDKNMRLDS-CQSZACIVSA-N 1 0 365.499 2.452 20 30 FEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]C[C@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)O1 ZINC000852137967 682225682 /nfs/dbraw/zinc/22/56/82/682225682.db2.gz CCWLLWNOIYSPIM-OAGGEKHMSA-N 1 0 352.475 2.478 20 30 FEEDRO C#CCN(C(=O)NCCOc1ccc(F)cc1F)C1CC[NH+](C)CC1 ZINC000917150339 685530054 /nfs/dbraw/zinc/53/00/54/685530054.db2.gz VSMHRXNBTBBAON-UHFFFAOYSA-N 1 0 351.397 2.083 20 30 FEEDRO C=C(Cl)C(C)(C)C(=O)N1CC(N(CC)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000968011260 682228107 /nfs/dbraw/zinc/22/81/07/682228107.db2.gz YKYLYYQIBAFEPN-IUODEOHRSA-N 1 0 355.910 2.165 20 30 FEEDRO C=C(C)C[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F ZINC000968916715 682250385 /nfs/dbraw/zinc/25/03/85/682250385.db2.gz GWCTVSABWWNYQJ-KFWWJZLASA-N 1 0 364.408 2.270 20 30 FEEDRO C[NH+]1C[C@]2(C)CN(S(=O)(=O)c3ccc(C#N)c(Cl)c3)C[C@@]2(C)C1 ZINC000918352833 685538622 /nfs/dbraw/zinc/53/86/22/685538622.db2.gz WRKLGJWXVSPKEI-HZPDHXFCSA-N 1 0 353.875 2.174 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)NCc2ccc(Br)cc2F)CC1 ZINC000917980643 685536125 /nfs/dbraw/zinc/53/61/25/685536125.db2.gz WCOQNMCVFANOMA-UHFFFAOYSA-N 1 0 368.250 2.485 20 30 FEEDRO O=C(C#CC1CC[NH2+]CC1)Nc1cccc(I)c1 ZINC000852800861 682344566 /nfs/dbraw/zinc/34/45/66/682344566.db2.gz UAKZOVPKPVUQAH-UHFFFAOYSA-N 1 0 354.191 2.233 20 30 FEEDRO O=C(C#CC1CC[NH2+]CC1)N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 ZINC000852831836 682348317 /nfs/dbraw/zinc/34/83/17/682348317.db2.gz YGHWZIUUOAIKDW-KRWDZBQOSA-N 1 0 350.821 2.382 20 30 FEEDRO C=CC[NH+]1CCC(NC(=O)c2cnc(Br)c(OC)c2)CC1 ZINC000788204228 682510768 /nfs/dbraw/zinc/51/07/68/682510768.db2.gz AZKKKPRKHFPABY-UHFFFAOYSA-N 1 0 354.248 2.233 20 30 FEEDRO C=CC[C@]1(C(=O)N2CC(C[NH+](C)C)C2)CCCN1C(=O)OC(C)(C)C ZINC000854724441 682585981 /nfs/dbraw/zinc/58/59/81/682585981.db2.gz PODXYQYPGNEIHX-LJQANCHMSA-N 1 0 351.491 2.352 20 30 FEEDRO C#CCN(CC(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1)C(=O)OC(C)(C)C ZINC000855162733 682634424 /nfs/dbraw/zinc/63/44/24/682634424.db2.gz MEPIQGRQYXWLRJ-HNNXBMFYSA-N 1 0 351.491 2.093 20 30 FEEDRO O=C(C#Cc1ccc(C(F)(F)F)cc1)NCCC[NH+]1CCC(O)CC1 ZINC000790654168 682692378 /nfs/dbraw/zinc/69/23/78/682692378.db2.gz AAJVAELTCZYGJO-UHFFFAOYSA-N 1 0 354.372 2.020 20 30 FEEDRO CC(C)[NH+]1CCN(CCCOC(=O)c2c(F)cc(C#N)cc2F)CC1 ZINC000792010713 682780907 /nfs/dbraw/zinc/78/09/07/682780907.db2.gz JAXSIRKEMITJGW-UHFFFAOYSA-N 1 0 351.397 2.409 20 30 FEEDRO CC(C)[C@@H]1CN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)CC[NH2+]1 ZINC000856490877 682789179 /nfs/dbraw/zinc/78/91/79/682789179.db2.gz TYVZSYTZVQBYBZ-GJZGRUSLSA-N 1 0 352.479 2.030 20 30 FEEDRO CC(C)(C)OC(=O)[C@@]1(C)CC[N@H+](C[C@H](O)CC2(C#N)CCOCC2)C1 ZINC000859328184 683085365 /nfs/dbraw/zinc/08/53/65/683085365.db2.gz AVNONCCSVHFJQZ-QAPCUYQASA-N 1 0 352.475 2.111 20 30 FEEDRO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NC(=O)c3sccc3CC#N)C2)[C@H]1C(C)C ZINC000926264253 683100957 /nfs/dbraw/zinc/10/09/57/683100957.db2.gz FLGGUFHUHVEJNB-FXRXJOCMSA-N 1 0 361.511 2.414 20 30 FEEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000926288407 683104525 /nfs/dbraw/zinc/10/45/25/683104525.db2.gz UZQSVBCUADMZKW-QWHCGFSZSA-N 1 0 369.918 2.359 20 30 FEEDRO C#CCC[NH+]1CCC(NC(=O)c2cc(O)cc(Br)c2)CC1 ZINC000859524584 683123024 /nfs/dbraw/zinc/12/30/24/683123024.db2.gz BOAJGSVKINPHTO-UHFFFAOYSA-N 1 0 351.244 2.372 20 30 FEEDRO C=CC[C@H](CO)C[NH2+][C@H](C1CC1)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000796855978 683201281 /nfs/dbraw/zinc/20/12/81/683201281.db2.gz SSIKMNKLGIFOOA-BHYGNILZSA-N 1 0 354.491 2.175 20 30 FEEDRO CCOC(=O)C(F)(F)[C@H]1CC[C@H]([NH2+]CCNc2ccc(C#N)cn2)C1 ZINC000927164268 683213547 /nfs/dbraw/zinc/21/35/47/683213547.db2.gz OGSYXLLMRSLGQH-KBPBESRZSA-N 1 0 352.385 2.322 20 30 FEEDRO C=CCN1CC[C@@H]([NH+]2CCC(CN(C)C(=O)OC(C)(C)C)CC2)C1=O ZINC000799121397 683424167 /nfs/dbraw/zinc/42/41/67/683424167.db2.gz YHGAOUSPJDHUDA-MRXNPFEDSA-N 1 0 351.491 2.352 20 30 FEEDRO C[NH+]1CCC(NC(=S)NNc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000799509481 683462661 /nfs/dbraw/zinc/46/26/61/683462661.db2.gz QLNVVTCWYUNGAX-UHFFFAOYSA-N 1 0 357.405 2.462 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)[C@H](C)Oc2ccccc2Br)CC1 ZINC000928654736 683482122 /nfs/dbraw/zinc/48/21/22/683482122.db2.gz BAJNTQIPFJEYSG-ZDUSSCGKSA-N 1 0 365.271 2.430 20 30 FEEDRO CCN(C[C@@H](C)C#N)S(=O)(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000800074228 683528943 /nfs/dbraw/zinc/52/89/43/683528943.db2.gz GJDJOFFONXQNMX-GTPINHCMSA-N 1 0 356.536 2.099 20 30 FEEDRO C#CCN(C(=O)N[C@H](C)c1ccc([S@@](C)=O)cc1)C1CC[NH+](C)CC1 ZINC000921648728 683531494 /nfs/dbraw/zinc/53/14/94/683531494.db2.gz RHTAXKUIHHQVFT-SGANQWHYSA-N 1 0 361.511 2.224 20 30 FEEDRO C#CCNC(=O)C1CC[NH+](Cc2c(O)cccc2Br)CC1 ZINC000862232261 683554753 /nfs/dbraw/zinc/55/47/53/683554753.db2.gz VEUILJQJLYFRHP-UHFFFAOYSA-N 1 0 351.244 2.116 20 30 FEEDRO CN(C)C(=O)[C@H]1CC[C@H](C[NH2+]Cc2cc(C#N)ccc2Br)O1 ZINC000921966117 683627818 /nfs/dbraw/zinc/62/78/18/683627818.db2.gz CJQDZZIGDVDFBA-UKRRQHHQSA-N 1 0 366.259 2.046 20 30 FEEDRO C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(C(=O)C(C)C)cc1 ZINC000922023378 683639239 /nfs/dbraw/zinc/63/92/39/683639239.db2.gz IILAHMWLFBRWSH-UHFFFAOYSA-N 1 0 362.495 2.243 20 30 FEEDRO C#Cc1ccc(NC(=O)CC[N@@H+](C)[C@H]2CCCC[C@@H]2S(C)(=O)=O)cc1 ZINC000930000616 683667140 /nfs/dbraw/zinc/66/71/40/683667140.db2.gz NCCGKUBIBJYILY-ROUUACIJSA-N 1 0 362.495 2.284 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)N[C@@H](C)c2ccc(Br)cn2)CC1 ZINC000922291281 683693923 /nfs/dbraw/zinc/69/39/23/683693923.db2.gz WQABBOVUFBEEMP-LBPRGKRZSA-N 1 0 365.275 2.302 20 30 FEEDRO C#CC[C@H](COC)NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC000863804862 683775030 /nfs/dbraw/zinc/77/50/30/683775030.db2.gz KJJVTIMSIXJXBU-SJORKVTESA-N 1 0 350.409 2.298 20 30 FEEDRO C=C(Cl)C[C@@H]1NC(=O)N(c2cccc(N3CC[NH+](CC)CC3)c2)C1=O ZINC000864556698 683867700 /nfs/dbraw/zinc/86/77/00/683867700.db2.gz CXALLZVTUDDMKO-INIZCTEOSA-N 1 0 362.861 2.396 20 30 FEEDRO C[NH+]1CCC(CNC(=O)c2sccc2CC#N)(N2CCCCC2)CC1 ZINC000866113785 684073543 /nfs/dbraw/zinc/07/35/43/684073543.db2.gz DFAAFUBHDKIFTF-UHFFFAOYSA-N 1 0 360.527 2.494 20 30 FEEDRO N#Cc1cc(F)cc(S(=O)(=O)N2CCC([NH+]3CCCCC3)CC2)c1 ZINC000866531877 684116362 /nfs/dbraw/zinc/11/63/62/684116362.db2.gz JHAQESFVTWQNDK-UHFFFAOYSA-N 1 0 351.447 2.336 20 30 FEEDRO N#Cc1sc(NC(=O)N[C@H]2CCC[N@@H+]3CCSC[C@H]23)nc1Cl ZINC000931725150 684337737 /nfs/dbraw/zinc/33/77/37/684337737.db2.gz SQVCBAOTOFJCEI-DTWKUNHWSA-N 1 0 357.892 2.369 20 30 FEEDRO Cc1ccc(C#N)cc1S(=O)(=O)N[C@H]1C[C@@](C[NH3+])(c2ccccc2)C1 ZINC000923741260 684343940 /nfs/dbraw/zinc/34/39/40/684343940.db2.gz MIAQDFSCFPTQJU-IZAXUBKRSA-N 1 0 355.463 2.204 20 30 FEEDRO N#Cc1cc(F)cc(S(=O)(=O)N2C[C@@H](CC[NH3+])Cc3ccccc32)c1 ZINC000923744762 684345439 /nfs/dbraw/zinc/34/54/39/684345439.db2.gz IKLJQAZMCCYWBO-ZDUSSCGKSA-N 1 0 359.426 2.414 20 30 FEEDRO C#CC[NH+]1CCC(NC(=O)NCC(F)(F)c2ccc(F)cc2F)CC1 ZINC000923968458 684377889 /nfs/dbraw/zinc/37/78/89/684377889.db2.gz ORVGYFNEXIKVJH-UHFFFAOYSA-N 1 0 357.351 2.453 20 30 FEEDRO C#CC[NH+]1CCC(C(=O)OCc2ncc(Br)cc2F)CC1 ZINC000869398583 684613835 /nfs/dbraw/zinc/61/38/35/684613835.db2.gz NRLGEBLROKBELR-UHFFFAOYSA-N 1 0 355.207 2.372 20 30 FEEDRO CC(C)(C)OC(=O)[C@H]1C[C@H]([NH2+]CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000872247594 684931754 /nfs/dbraw/zinc/93/17/54/684931754.db2.gz MXNYVKCNZGNTBW-SHTZXODSSA-N 1 0 364.467 2.042 20 30 FEEDRO CS[C@@H]1CN(S(=O)(=O)c2c(C)cccc2C#N)C[C@@H]1[NH+]1CCCC1 ZINC000872476876 684959925 /nfs/dbraw/zinc/95/99/25/684959925.db2.gz BMMISXQYJRCEJT-JKSUJKDBSA-N 1 0 365.524 2.067 20 30 FEEDRO Cc1ncc(S(=O)(=O)N2CCC(C)([NH+]3CCCCC3)CC2)cc1C#N ZINC000872531086 684972818 /nfs/dbraw/zinc/97/28/18/684972818.db2.gz ZEKZKNGFHZTEJU-UHFFFAOYSA-N 1 0 362.499 2.291 20 30 FEEDRO CC1([NH+]2CCCCC2)CCN(c2ccc(S(N)(=O)=O)cc2C#N)CC1 ZINC000872664887 685000740 /nfs/dbraw/zinc/00/07/40/685000740.db2.gz ZRRMKUKGMKRXMR-UHFFFAOYSA-N 1 0 362.499 2.050 20 30 FEEDRO CC[C@@H](C#N)Oc1cc(C[NH2+][C@H]2CCCS(=O)(=O)CC2)ccc1OC ZINC000873049199 685058690 /nfs/dbraw/zinc/05/86/90/685058690.db2.gz CCUNYAODOXBIJU-HOTGVXAUSA-N 1 0 366.483 2.433 20 30 FEEDRO N#Cc1c(F)cccc1C[NH2+]CC1CCN(S(=O)(=O)C(F)F)CC1 ZINC000873051937 685059230 /nfs/dbraw/zinc/05/92/30/685059230.db2.gz QIWSBTCJPOWHJL-UHFFFAOYSA-N 1 0 361.389 2.051 20 30 FEEDRO N#Cc1c(F)cccc1C[NH2+]C1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000873074555 685065624 /nfs/dbraw/zinc/06/56/24/685065624.db2.gz FQMXWTNDXCNASX-UHFFFAOYSA-N 1 0 365.352 2.101 20 30 FEEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N[C@H]1C[NH2+]CC1(C)C ZINC000911527512 685221838 /nfs/dbraw/zinc/22/18/38/685221838.db2.gz GPDBNLVOGQIAHW-LBPRGKRZSA-N 1 0 355.891 2.030 20 30 FEEDRO C#C[C@H]1CC[C@H](NC(=O)[C@H](CC[NH+](C)C)NC(=O)OC(C)(C)C)CC1 ZINC000874859333 685683894 /nfs/dbraw/zinc/68/38/94/685683894.db2.gz MHGKFMPPTNPFKQ-JYJNAYRXSA-N 1 0 351.491 2.140 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000876574321 686222385 /nfs/dbraw/zinc/22/23/85/686222385.db2.gz BVXZOXOBZPGELQ-AWEZNQCLSA-N 1 0 356.253 2.094 20 30 FEEDRO C=CCN1C(=S)N=NC1c1sc(NC(=O)C2=CC[C@H]([NH3+])C2)nc1C ZINC000876574680 686222859 /nfs/dbraw/zinc/22/28/59/686222859.db2.gz IPLQPJIDQHGVHN-JTQLQIEISA-N 1 0 362.484 2.171 20 30 FEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H](O)COc1cccc(Cl)c1Cl ZINC000876621102 686229659 /nfs/dbraw/zinc/22/96/59/686229659.db2.gz VLVGFSBWDZMJMN-MWLCHTKSSA-N 1 0 367.660 2.319 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N(C)CCCOc1cc(OC)cc(OC)c1 ZINC000876705150 686248071 /nfs/dbraw/zinc/24/80/71/686248071.db2.gz WVWRWMBKRVCCNF-INIZCTEOSA-N 1 0 356.850 2.401 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 ZINC000876728068 686254421 /nfs/dbraw/zinc/25/44/21/686254421.db2.gz XIZBQSGFOXICQL-KBPBESRZSA-N 1 0 350.850 2.037 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H](C)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000876749342 686260133 /nfs/dbraw/zinc/26/01/33/686260133.db2.gz JJCDUWUHVYLKHE-CJNGLKHVSA-N 1 0 364.877 2.200 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC(Nc2cccc(C(=O)OC)c2)CC1 ZINC000876900904 686291108 /nfs/dbraw/zinc/29/11/08/686291108.db2.gz UDPXAKQIKWBCGX-INIZCTEOSA-N 1 0 365.861 2.346 20 30 FEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[C@@H]1c1nc(C(=O)OCC)cs1 ZINC000876909864 686293833 /nfs/dbraw/zinc/29/38/33/686293833.db2.gz KYIMYWJAALJWNN-CMPLNLGQSA-N 1 0 357.863 2.453 20 30 FEEDRO C[C@H](CCC#N)C[NH+]1CCC([C@@H]2OCC[C@H]2NC(=O)C(F)(F)F)CC1 ZINC000877565210 686410521 /nfs/dbraw/zinc/41/05/21/686410521.db2.gz CXFDNCJWERTTIZ-YUELXQCFSA-N 1 0 361.408 2.474 20 30 FEEDRO C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCNc1cc[nH+]cc1 ZINC000878337942 686567755 /nfs/dbraw/zinc/56/77/55/686567755.db2.gz UIBIDAIYKVTEJU-CQSZACIVSA-N 1 0 368.865 2.068 20 30 FEEDRO C#CC[N@@H+](CCC(=O)Nc1cc(OC)c(OC)c(OC)c1)C1CSC1 ZINC000878910939 686688653 /nfs/dbraw/zinc/68/86/53/686688653.db2.gz BKFGOMRMFJXEIH-UHFFFAOYSA-N 1 0 364.467 2.092 20 30 FEEDRO C[N@@H+]1CC[C@@H]2CN(CC(=O)[C@@H](C#N)c3nc4ccccc4s3)CC[C@H]21 ZINC000879576338 686861286 /nfs/dbraw/zinc/86/12/86/686861286.db2.gz BLYQCJFVIFVDDR-IIAWOOMASA-N 1 0 354.479 2.499 20 30 FEEDRO N#Cc1ccc(NC(=O)CC[N@@H+]2CCNC(=O)CC23CCC3)cc1Cl ZINC000880170938 687009748 /nfs/dbraw/zinc/00/97/48/687009748.db2.gz MZEZQBYXKOPJPC-UHFFFAOYSA-N 1 0 360.845 2.285 20 30 FEEDRO N#Cc1cc(NC(=O)N2CC[NH+](C3CCOCC3)CC2)c(F)cc1F ZINC000880716390 687077811 /nfs/dbraw/zinc/07/78/11/687077811.db2.gz QMANGBYWNZABGQ-UHFFFAOYSA-N 1 0 350.369 2.165 20 30 FEEDRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)Nc1cc(C#N)c(F)cc1F ZINC000880716047 687077974 /nfs/dbraw/zinc/07/79/74/687077974.db2.gz NBOOIAHKSFTWIA-CYBMUJFWSA-N 1 0 352.385 2.411 20 30 FEEDRO Cc1ccc(C#N)cc1S(=O)(=O)N1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000882621136 687411845 /nfs/dbraw/zinc/41/18/45/687411845.db2.gz MAJRTXOGVHSIPE-OAHLLOKOSA-N 1 0 356.451 2.161 20 30 FEEDRO C=CCC[C@H]([NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1)[C@H]1Cc2ccccc2O1 ZINC000883207938 687588230 /nfs/dbraw/zinc/58/82/30/687588230.db2.gz VVTCAPPATHKSDH-VDZJLULYSA-N 1 0 364.511 2.196 20 30 FEEDRO N#Cc1c(Cl)cccc1S(=O)(=O)N(CCC[NH3+])CC(F)(F)F ZINC000883469870 687638612 /nfs/dbraw/zinc/63/86/12/687638612.db2.gz DDGFPHYONGHACT-UHFFFAOYSA-N 1 0 355.769 2.113 20 30 FEEDRO C=CCS(=O)(=O)CCNC(=O)N1CCC(CC)([NH+]2CCCCC2)CC1 ZINC000883563040 687668585 /nfs/dbraw/zinc/66/85/85/687668585.db2.gz ARTCJTXMARUAHF-UHFFFAOYSA-N 1 0 371.547 2.027 20 30 FEEDRO N#C[C@H]1C[NH2+]CC12CC(C(=O)NCc1ccc(F)cc1Br)C2 ZINC000884096983 687788179 /nfs/dbraw/zinc/78/81/79/687788179.db2.gz PRKFAPOZSRFNHI-BGMSHATGSA-N 1 0 366.234 2.344 20 30 FEEDRO N#C[C@H]1C[NH2+]CC12CC(C(=O)N1CCO[C@H](c3ccccc3Cl)C1)C2 ZINC000884124943 687795131 /nfs/dbraw/zinc/79/51/31/687795131.db2.gz LQXAFODLCFSXNE-XQCDLMLLSA-N 1 0 359.857 2.379 20 30 FEEDRO N#C[C@@H]1C[NH2+]CC12CC(C(=O)N1CCO[C@H](c3ccccc3Cl)C1)C2 ZINC000884124941 687795367 /nfs/dbraw/zinc/79/53/67/687795367.db2.gz LQXAFODLCFSXNE-NKCCXGTCSA-N 1 0 359.857 2.379 20 30 FEEDRO N#C[C@@H]1C[NH2+]CC12CC(C(=O)N[C@@H]1CCN(c3cccc(Cl)c3)C1)C2 ZINC000884232412 687825913 /nfs/dbraw/zinc/82/59/13/687825913.db2.gz QMNMOHARPWTPGG-PPKXHPOVSA-N 1 0 358.873 2.174 20 30 FEEDRO N#CCCc1ccc(S(=O)(=O)N2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000884895762 687959905 /nfs/dbraw/zinc/95/99/05/687959905.db2.gz MTLPZIAEWONUBJ-UHFFFAOYSA-N 1 0 356.451 2.049 20 30 FEEDRO C=CC(C)(C)CCCNC(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000885095773 688015540 /nfs/dbraw/zinc/01/55/40/688015540.db2.gz AOQSDLCGXQOMPA-QWHCGFSZSA-N 1 0 363.424 2.081 20 30 FEEDRO N#CC1(C[C@H](O)C[NH+]2CCC(Oc3cncc(Cl)n3)CC2)CCC1 ZINC000886144558 688207104 /nfs/dbraw/zinc/20/71/04/688207104.db2.gz BBLCZVQTZRBPCI-ZDUSSCGKSA-N 1 0 350.850 2.418 20 30 FEEDRO C#CCN1CCC[C@H]([NH2+]Cc2cc(Br)c(O)c(OC)c2)C1 ZINC000886212880 688214412 /nfs/dbraw/zinc/21/44/12/688214412.db2.gz HLLZBKFERXUUSD-ZDUSSCGKSA-N 1 0 353.260 2.351 20 30 FEEDRO C#CCOc1ccc(Br)cc1C[NH2+][C@H]1CC[C@@H](O)[C@@H](O)CC1 ZINC000886257792 688220999 /nfs/dbraw/zinc/22/09/99/688220999.db2.gz LMUYRQWYYNNDEL-MUJYYYPQSA-N 1 0 368.271 2.215 20 30 FEEDRO COC[C@@]1(C(=O)OC(C)(C)C)CC[N@H+](C[C@H](O)CC2(C#N)CCC2)C1 ZINC000886305803 688228669 /nfs/dbraw/zinc/22/86/69/688228669.db2.gz QUUZHFOQVUPCIN-DNVCBOLYSA-N 1 0 352.475 2.111 20 30 FEEDRO C#CCN(C(=O)c1cnc(Br)c(OC)c1)C1CC[NH+](C)CC1 ZINC000886577559 688279069 /nfs/dbraw/zinc/27/90/69/688279069.db2.gz NPHQJSZIBDLFFS-UHFFFAOYSA-N 1 0 366.259 2.022 20 30 FEEDRO C#CCN(C(=O)c1csc(Nc2ccccn2)n1)C1CC[NH+](C)CC1 ZINC000886581492 688279569 /nfs/dbraw/zinc/27/95/69/688279569.db2.gz ZANFXOWGZLMRTL-UHFFFAOYSA-N 1 0 355.467 2.451 20 30 FEEDRO C#CCC1([NH2+]CC(=O)Nc2sc(C)cc2C(=O)OCC)CCOCC1 ZINC000887123197 688370058 /nfs/dbraw/zinc/37/00/58/688370058.db2.gz DVNKCDKRTOTMJH-UHFFFAOYSA-N 1 0 364.467 2.334 20 30 FEEDRO C#CCSCC[NH2+][C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C12CCOCC2 ZINC000892994822 689277858 /nfs/dbraw/zinc/27/78/58/689277858.db2.gz ZBPSQCWXXLZBMA-HUUCEWRRSA-N 1 0 354.516 2.405 20 30 FEEDRO C[C@H]([NH2+]C1CCC(Oc2ccc(C#N)cn2)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000893219998 689315136 /nfs/dbraw/zinc/31/51/36/689315136.db2.gz HTZSAIPEYRGION-DFULUXCASA-N 1 0 363.483 2.056 20 30 FEEDRO C=C(Br)CNCc1c(I)cnn1C ZINC000894241824 689492452 /nfs/dbraw/zinc/49/24/52/689492452.db2.gz MTLFKYBGMLTXSK-UHFFFAOYSA-N 1 0 356.005 2.023 20 30 FEEDRO CC(C)(C)OC(=O)N1CCC2(CC([NH2+][C@H]3CCCN(O)C3=O)C2)CC1 ZINC000895196296 689675320 /nfs/dbraw/zinc/67/53/20/689675320.db2.gz JZOKSPXGXVGHAP-AWEZNQCLSA-N 1 0 353.463 2.136 20 30 FEEDRO CN1CCN(C(=S)Nc2ccc(C#N)c(Cl)c2)CC[N@H+](C)CC1 ZINC000899651851 690399365 /nfs/dbraw/zinc/39/93/65/690399365.db2.gz ADLMYNIYRZZHCZ-UHFFFAOYSA-N 1 0 351.907 2.088 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)N2CCC([NH+]3CCC3)CC2)cc1C(F)(F)F ZINC000903203832 690866133 /nfs/dbraw/zinc/86/61/33/690866133.db2.gz FUTPJMKBEZOOIA-UHFFFAOYSA-N 1 0 373.400 2.436 20 30 FEEDRO C[C@@H]([NH2+][C@@H](C)CCNS(=O)(=O)c1ccccc1)c1cc(C#N)ccn1 ZINC000903230507 690871583 /nfs/dbraw/zinc/87/15/83/690871583.db2.gz DPGPTIGBUPMJKF-LSDHHAIUSA-N 1 0 358.467 2.361 20 30 FEEDRO C[C@H](CCCC[NH3+])NS(=O)(=O)c1ccc(Br)c(C#N)c1 ZINC000903498210 690901426 /nfs/dbraw/zinc/90/14/26/690901426.db2.gz CDNMXBAXYNNVLQ-SNVBAGLBSA-N 1 0 360.277 2.117 20 30 FEEDRO Cc1cc(C#N)cc(C)c1CS(=O)(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000903522221 690910339 /nfs/dbraw/zinc/91/03/39/690910339.db2.gz QAGDITLTJAQHOP-ROUUACIJSA-N 1 0 361.511 2.326 20 30 FEEDRO Cc1cccc(C#N)c1S(=O)(=O)N1C[C@@H](C[NH3+])Cc2cc(F)ccc21 ZINC000903589461 690933608 /nfs/dbraw/zinc/93/36/08/690933608.db2.gz VRTSRXJOCOSDRM-CYBMUJFWSA-N 1 0 359.426 2.332 20 30 FEEDRO C[C@@](O)(C[NH2+]CC(=O)Nc1ccc(F)c(F)c1)C(F)(F)C(F)(F)F ZINC000905038339 691060068 /nfs/dbraw/zinc/06/00/68/691060068.db2.gz AJMZJQZVLFGFSL-LLVKDONJSA-N 1 0 362.245 2.442 20 30 FEEDRO N#CCc1ccccc1S(=O)(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000905361921 691108750 /nfs/dbraw/zinc/10/87/50/691108750.db2.gz OHTZZWDBHGJOMU-UHFFFAOYSA-N 1 0 359.495 2.185 20 30 FEEDRO CSC1(C[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)CCCCC1 ZINC000905481393 691124122 /nfs/dbraw/zinc/12/41/22/691124122.db2.gz MVBZZLBXCXUEOV-UHFFFAOYSA-N 1 0 353.513 2.382 20 30 FEEDRO N#Cc1ccc(OC[C@H](O)C[NH2+]CC[C@H]2CC[C@@H](C(F)(F)F)O2)cc1 ZINC000905556763 691140174 /nfs/dbraw/zinc/14/01/74/691140174.db2.gz OWYJMODZLUFZLQ-BMFZPTHFSA-N 1 0 358.360 2.388 20 30 FEEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H]2CCCc3ccccc3C2)nc1 ZINC000905656757 691157528 /nfs/dbraw/zinc/15/75/28/691157528.db2.gz ZXWLLDURWBKEJA-GOSISDBHSA-N 1 0 355.463 2.264 20 30 FEEDRO C=C(CC[NH+](C)C)C(=O)N[C@@H](C(=O)OCC)c1ccc(OC)c(F)c1 ZINC000907469734 691491432 /nfs/dbraw/zinc/49/14/32/691491432.db2.gz FTEQGNNJHHVSFW-MRXNPFEDSA-N 1 0 352.406 2.063 20 30 FEEDRO